smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC001351628706 937021254 /nfs/dbraw/zinc/02/12/54/937021254.db2.gz SZIBEABINILXLV-MRXNPFEDSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC001351628706 937021257 /nfs/dbraw/zinc/02/12/57/937021257.db2.gz SZIBEABINILXLV-MRXNPFEDSA-N 2 2 294.389 3.114 20 0 CGADLP CC[C@H](CSC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474093196 937202640 /nfs/dbraw/zinc/20/26/40/937202640.db2.gz AADYIQWDPXFDMV-LLVKDONJSA-N 2 2 281.450 3.165 20 0 CGADLP CCc1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001458059155 937449980 /nfs/dbraw/zinc/44/99/80/937449980.db2.gz AYLWNHFPAWOHHR-MRXNPFEDSA-N 2 2 298.434 3.316 20 0 CGADLP Cc1nc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001458118164 937451955 /nfs/dbraw/zinc/45/19/55/937451955.db2.gz JTYPJTDAHUAWTO-XQQFMLRXSA-N 2 2 290.455 3.180 20 0 CGADLP Cc1nc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001458118164 937451957 /nfs/dbraw/zinc/45/19/57/937451957.db2.gz JTYPJTDAHUAWTO-XQQFMLRXSA-N 2 2 290.455 3.180 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC001461809844 937597981 /nfs/dbraw/zinc/59/79/81/937597981.db2.gz ZEHGGKODGXYHKU-RGDDUWESSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC001461809844 937597983 /nfs/dbraw/zinc/59/79/83/937597983.db2.gz ZEHGGKODGXYHKU-RGDDUWESSA-N 2 2 280.362 3.052 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CCCCC34CC4)CC2)ccn1 ZINC001256594187 932728857 /nfs/dbraw/zinc/72/88/57/932728857.db2.gz OJQDTINBORFRDF-UHFFFAOYSA-N 2 2 285.435 3.065 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CCCCC34CC4)CC2)ccn1 ZINC001256594187 932728860 /nfs/dbraw/zinc/72/88/60/932728860.db2.gz OJQDTINBORFRDF-UHFFFAOYSA-N 2 2 285.435 3.065 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC001257209073 932730043 /nfs/dbraw/zinc/73/00/43/932730043.db2.gz YUBBPZXHCKGBOO-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP CCc1cc(NCC[C@@H](C)[NH+]2CCCCC2)nc(CC)[nH+]1 ZINC001307091780 932912197 /nfs/dbraw/zinc/91/21/97/932912197.db2.gz GLAMBARYZPWLMQ-CQSZACIVSA-N 2 2 290.455 3.278 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415554 933107594 /nfs/dbraw/zinc/10/75/94/933107594.db2.gz YGQGXYGANWYMHI-KZNAEPCWSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001308415554 933107599 /nfs/dbraw/zinc/10/75/99/933107599.db2.gz YGQGXYGANWYMHI-KZNAEPCWSA-N 2 2 296.499 3.028 20 0 CGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC001308862971 933191744 /nfs/dbraw/zinc/19/17/44/933191744.db2.gz BQMRDTXYAGKQFH-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCCC1 ZINC001308862971 933191747 /nfs/dbraw/zinc/19/17/47/933191747.db2.gz BQMRDTXYAGKQFH-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001324158613 934467580 /nfs/dbraw/zinc/46/75/80/934467580.db2.gz LWVHTRMYKMUVBX-YPMHNXCESA-N 2 2 289.810 3.141 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC001324703760 934553211 /nfs/dbraw/zinc/55/32/11/934553211.db2.gz AGXBZLNTZXSQGL-MRXNPFEDSA-N 2 2 299.462 3.420 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001325718328 934924746 /nfs/dbraw/zinc/92/47/46/934924746.db2.gz RSOQOVOUIWQKSF-BHDSKKPTSA-N 2 2 270.779 3.270 20 0 CGADLP CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713157 937818651 /nfs/dbraw/zinc/81/86/51/937818651.db2.gz RXEPOQGJNBCKCN-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713157 937818653 /nfs/dbraw/zinc/81/86/53/937818653.db2.gz RXEPOQGJNBCKCN-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)CC1CCCCC1 ZINC001473928324 937830985 /nfs/dbraw/zinc/83/09/85/937830985.db2.gz XTTKFMCAFUHXET-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC[N@H+](CC[NH2+]C1CCC2(COC(C)(C)C2)CC1)C1CC1 ZINC001473973356 937833057 /nfs/dbraw/zinc/83/30/57/937833057.db2.gz ZYHVAUYOKDZWCR-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CCC2(COC(C)(C)C2)CC1)C1CC1 ZINC001473973356 937833059 /nfs/dbraw/zinc/83/30/59/937833059.db2.gz ZYHVAUYOKDZWCR-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP CNc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001474308435 937850146 /nfs/dbraw/zinc/85/01/46/937850146.db2.gz OLSQNBRFIFUBNL-CQSZACIVSA-N 2 2 284.407 3.139 20 0 CGADLP CNc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001474308435 937850148 /nfs/dbraw/zinc/85/01/48/937850148.db2.gz OLSQNBRFIFUBNL-CQSZACIVSA-N 2 2 284.407 3.139 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC001474538525 937865824 /nfs/dbraw/zinc/86/58/24/937865824.db2.gz VREBVWFDJKKCEY-BZSNNMDCSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC001474538525 937865826 /nfs/dbraw/zinc/86/58/26/937865826.db2.gz VREBVWFDJKKCEY-BZSNNMDCSA-N 2 2 296.499 3.028 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC001549118282 938000886 /nfs/dbraw/zinc/00/08/86/938000886.db2.gz YFSXGRCLHRPKPS-CJNGLKHVSA-N 2 2 293.480 3.047 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC001549118282 938000887 /nfs/dbraw/zinc/00/08/87/938000887.db2.gz YFSXGRCLHRPKPS-CJNGLKHVSA-N 2 2 293.480 3.047 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377686 938180444 /nfs/dbraw/zinc/18/04/44/938180444.db2.gz IWMPTPDPFZLITL-CQDKDKBSSA-N 2 2 272.417 3.332 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551378647 938180575 /nfs/dbraw/zinc/18/05/75/938180575.db2.gz RPYPTZVVCNUPBN-DOPJRALCSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001551378717 938180710 /nfs/dbraw/zinc/18/07/10/938180710.db2.gz SMSGMAATKGPQHO-FGTMMUONSA-N 2 2 282.362 3.027 20 0 CGADLP CC[NH+](CC)CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001559166089 938221554 /nfs/dbraw/zinc/22/15/54/938221554.db2.gz WSRPUKWBZJANIJ-UHFFFAOYSA-N 2 2 297.406 3.026 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001560113643 938244263 /nfs/dbraw/zinc/24/42/63/938244263.db2.gz OMGCSAKDMSUPAH-SJLPKXTDSA-N 2 2 296.499 3.436 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001560113643 938244264 /nfs/dbraw/zinc/24/42/64/938244264.db2.gz OMGCSAKDMSUPAH-SJLPKXTDSA-N 2 2 296.499 3.436 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234708 938248312 /nfs/dbraw/zinc/24/83/12/938248312.db2.gz MZDDSDUZLIXROE-CQSZACIVSA-N 2 2 263.429 3.474 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234708 938248313 /nfs/dbraw/zinc/24/83/13/938248313.db2.gz MZDDSDUZLIXROE-CQSZACIVSA-N 2 2 263.429 3.474 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC001560247527 938249147 /nfs/dbraw/zinc/24/91/47/938249147.db2.gz JFXPOPWKLLLEHQ-UHFFFAOYSA-N 2 2 285.322 3.072 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC001560909351 938283314 /nfs/dbraw/zinc/28/33/14/938283314.db2.gz ROIGAFJFTMZVBJ-HMDCTGQHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H]1C ZINC001560909351 938283316 /nfs/dbraw/zinc/28/33/16/938283316.db2.gz ROIGAFJFTMZVBJ-HMDCTGQHSA-N 2 2 264.457 3.418 20 0 CGADLP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC001560909513 938283323 /nfs/dbraw/zinc/28/33/23/938283323.db2.gz XBQXHTQLHZFTIB-WOYTXXSLSA-N 2 2 262.441 3.172 20 0 CGADLP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC001560909513 938283324 /nfs/dbraw/zinc/28/33/24/938283324.db2.gz XBQXHTQLHZFTIB-WOYTXXSLSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929140 938284482 /nfs/dbraw/zinc/28/44/82/938284482.db2.gz OBAAABREPIIUAD-KKUMJFAQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929140 938284484 /nfs/dbraw/zinc/28/44/84/938284484.db2.gz OBAAABREPIIUAD-KKUMJFAQSA-N 2 2 252.446 3.274 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001561039340 938291137 /nfs/dbraw/zinc/29/11/37/938291137.db2.gz PKXMCZVHGZLKNV-LSDHHAIUSA-N 2 2 272.477 3.004 20 0 CGADLP CC(C)(C)c1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC001575277454 962348161 /nfs/dbraw/zinc/34/81/61/962348161.db2.gz RUXHDNRXBUOMFE-HNNXBMFYSA-N 2 2 260.425 3.214 20 0 CGADLP CC[C@@H](OCC[N@@H+]1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001577184369 962519207 /nfs/dbraw/zinc/51/92/07/962519207.db2.gz INIWYZGTEAHWSN-QZTJIDSGSA-N 2 2 290.451 3.358 20 0 CGADLP CC[C@@H](OCC[N@H+]1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001577184369 962519221 /nfs/dbraw/zinc/51/92/21/962519221.db2.gz INIWYZGTEAHWSN-QZTJIDSGSA-N 2 2 290.451 3.358 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC001578220424 962572010 /nfs/dbraw/zinc/57/20/10/962572010.db2.gz HFZBHPBFLTUUPX-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC001578220424 962572020 /nfs/dbraw/zinc/57/20/20/962572020.db2.gz HFZBHPBFLTUUPX-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC1(SC)CCC1 ZINC001578275630 962586068 /nfs/dbraw/zinc/58/60/68/962586068.db2.gz TUDOXJTTYUUYEN-HNNXBMFYSA-N 2 2 278.465 3.124 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC001579571370 962636228 /nfs/dbraw/zinc/63/62/28/962636228.db2.gz CVRIOPPEFWUYRR-GBMMQYMXSA-N 2 2 270.420 3.108 20 0 CGADLP Cc1cc(N(CCC[NH3+])Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001579618936 962645156 /nfs/dbraw/zinc/64/51/56/962645156.db2.gz XZAISKXNMOYLCK-UHFFFAOYSA-N 2 2 296.418 3.018 20 0 CGADLP Cc1ccc2sc(C[N@@H+]3CCCC[C@H]3CC[NH3+])nc2c1 ZINC001579743324 962663824 /nfs/dbraw/zinc/66/38/24/962663824.db2.gz SEVYQOUKFVCMEJ-ZDUSSCGKSA-N 2 2 289.448 3.308 20 0 CGADLP Cc1ccc2sc(C[N@H+]3CCCC[C@H]3CC[NH3+])nc2c1 ZINC001579743324 962663835 /nfs/dbraw/zinc/66/38/35/962663835.db2.gz SEVYQOUKFVCMEJ-ZDUSSCGKSA-N 2 2 289.448 3.308 20 0 CGADLP Cc1[nH+]cn(-c2ccc(NC[C@@]3(C)CCC[NH2+]C3)cc2)c1C ZINC001579884220 962681640 /nfs/dbraw/zinc/68/16/40/962681640.db2.gz WHKWVOZJJUGMOG-SFHVURJKSA-N 2 2 298.434 3.291 20 0 CGADLP FC(F)(F)C1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001580018211 962684364 /nfs/dbraw/zinc/68/43/64/962684364.db2.gz DGLXICKPTJJBGK-KGLIPLIRSA-N 2 2 298.352 3.064 20 0 CGADLP [NH3+][C@H](C[NH2+]C1CCC2(CCC2)CC1)c1ccccc1 ZINC001580132324 962695211 /nfs/dbraw/zinc/69/52/11/962695211.db2.gz MQOWKJBGFOQWMY-MRXNPFEDSA-N 2 2 258.409 3.389 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000294951783 199267135 /nfs/dbraw/zinc/26/71/35/199267135.db2.gz MDCZYZQWFAPRRL-KBXCAEBGSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000294951783 199267137 /nfs/dbraw/zinc/26/71/37/199267137.db2.gz MDCZYZQWFAPRRL-KBXCAEBGSA-N 2 2 297.402 3.169 20 0 CGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396765 214053129 /nfs/dbraw/zinc/05/31/29/214053129.db2.gz PUHHURZGIAIPLE-HUUCEWRRSA-N 2 2 275.440 3.445 20 0 CGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396765 214053130 /nfs/dbraw/zinc/05/31/30/214053130.db2.gz PUHHURZGIAIPLE-HUUCEWRRSA-N 2 2 275.440 3.445 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+]1CCCC[C@H]1C ZINC000337407181 214061640 /nfs/dbraw/zinc/06/16/40/214061640.db2.gz UUJANRRUBUECBD-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@H]1C ZINC000337407181 214061641 /nfs/dbraw/zinc/06/16/41/214061641.db2.gz UUJANRRUBUECBD-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cncc(Cl)c2)CC1 ZINC000621253947 349482196 /nfs/dbraw/zinc/48/21/96/349482196.db2.gz AFAYSHRHDKJZEY-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cncc(Cl)c2)CC1 ZINC000621253947 349482200 /nfs/dbraw/zinc/48/22/00/349482200.db2.gz AFAYSHRHDKJZEY-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621378502 349512671 /nfs/dbraw/zinc/51/26/71/349512671.db2.gz XYSYNPYEISRWAW-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621378502 349512673 /nfs/dbraw/zinc/51/26/73/349512673.db2.gz XYSYNPYEISRWAW-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)oc1C ZINC000337485659 214112892 /nfs/dbraw/zinc/11/28/92/214112892.db2.gz SHJLIBPFCYGZAZ-GJZGRUSLSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)oc1C ZINC000337485659 214112894 /nfs/dbraw/zinc/11/28/94/214112894.db2.gz SHJLIBPFCYGZAZ-GJZGRUSLSA-N 2 2 294.439 3.048 20 0 CGADLP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651666737 398264351 /nfs/dbraw/zinc/26/43/51/398264351.db2.gz MOMPHIPTMIIEIL-GFCCVEGCSA-N 2 2 270.779 3.008 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693944 398270493 /nfs/dbraw/zinc/27/04/93/398270493.db2.gz JXKCPZIBGHWWGH-GXFFZTMASA-N 2 2 284.806 3.396 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651707960 398272578 /nfs/dbraw/zinc/27/25/78/398272578.db2.gz AUAPZSFBJKMEJP-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651707960 398272581 /nfs/dbraw/zinc/27/25/81/398272581.db2.gz AUAPZSFBJKMEJP-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000651786562 398287926 /nfs/dbraw/zinc/28/79/26/398287926.db2.gz AIXSEBRWOYEEEU-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000651786562 398287927 /nfs/dbraw/zinc/28/79/27/398287927.db2.gz AIXSEBRWOYEEEU-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350747960 219055924 /nfs/dbraw/zinc/05/59/24/219055924.db2.gz OZBSHKRFVXYPNW-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000350747960 219055926 /nfs/dbraw/zinc/05/59/26/219055926.db2.gz OZBSHKRFVXYPNW-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350747960 219055928 /nfs/dbraw/zinc/05/59/28/219055928.db2.gz OZBSHKRFVXYPNW-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350747960 219055931 /nfs/dbraw/zinc/05/59/31/219055931.db2.gz OZBSHKRFVXYPNW-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000125492456 187188060 /nfs/dbraw/zinc/18/80/60/187188060.db2.gz OWMYVONPQJJSQM-OAHLLOKOSA-N 2 2 285.435 3.244 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863323 398297469 /nfs/dbraw/zinc/29/74/69/398297469.db2.gz CZVPCAFNPCTFEN-MLGOLLRUSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863323 398297473 /nfs/dbraw/zinc/29/74/73/398297473.db2.gz CZVPCAFNPCTFEN-MLGOLLRUSA-N 2 2 286.444 3.474 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1csc(C2CC2)n1 ZINC000651865891 398298705 /nfs/dbraw/zinc/29/87/05/398298705.db2.gz LODSZVROMWRUCG-UHFFFAOYSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1csc(C2CC2)n1 ZINC000651865891 398298706 /nfs/dbraw/zinc/29/87/06/398298706.db2.gz LODSZVROMWRUCG-UHFFFAOYSA-N 2 2 281.469 3.088 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229371 529501475 /nfs/dbraw/zinc/50/14/75/529501475.db2.gz BAKRCNGOFIZOMH-CHWSQXEVSA-N 2 2 272.392 3.398 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423442405 529568944 /nfs/dbraw/zinc/56/89/44/529568944.db2.gz BSNKERQSPYYGAQ-GHMZBOCLSA-N 2 2 293.411 3.337 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCC12CCC2 ZINC000423502565 529611627 /nfs/dbraw/zinc/61/16/27/529611627.db2.gz MBQPXRHLEIBZAA-JKSUJKDBSA-N 2 2 258.409 3.171 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423519086 529616884 /nfs/dbraw/zinc/61/68/84/529616884.db2.gz ZUSFZOHPHHQAQF-SCLBCKFNSA-N 2 2 284.403 3.305 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000423501092 529617689 /nfs/dbraw/zinc/61/76/89/529617689.db2.gz KYIDLVHAZSNJQK-VJUNAUMWSA-N 2 2 260.425 3.273 20 0 CGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623358468 349788085 /nfs/dbraw/zinc/78/80/85/349788085.db2.gz BJHVKTGBEHCKBY-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1F ZINC000423515316 529654650 /nfs/dbraw/zinc/65/46/50/529654650.db2.gz XJPQFYUAOZMJQO-HOTGVXAUSA-N 2 2 264.388 3.384 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000423402723 529656853 /nfs/dbraw/zinc/65/68/53/529656853.db2.gz RTQYSGLSFOKEBE-WKPIXPDZSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000368105123 529661120 /nfs/dbraw/zinc/66/11/20/529661120.db2.gz OJPHGALQQVNENF-HIFRSBDPSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000368105123 529661121 /nfs/dbraw/zinc/66/11/21/529661121.db2.gz OJPHGALQQVNENF-HIFRSBDPSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000427876772 529673024 /nfs/dbraw/zinc/67/30/24/529673024.db2.gz NBISJPCKPMPUGL-RYUDHWBXSA-N 2 2 261.394 3.000 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000358521220 529681209 /nfs/dbraw/zinc/68/12/09/529681209.db2.gz XSOARWXKODNVCH-AWEZNQCLSA-N 2 2 294.402 3.451 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]cc1C ZINC000191977472 334936726 /nfs/dbraw/zinc/93/67/26/334936726.db2.gz YNZYFAQHSHZLNV-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868848 346943996 /nfs/dbraw/zinc/94/39/96/346943996.db2.gz GPKZRONDSQPPOD-UONOGXRCSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868848 346944000 /nfs/dbraw/zinc/94/40/00/346944000.db2.gz GPKZRONDSQPPOD-UONOGXRCSA-N 2 2 273.355 3.420 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503132 349822634 /nfs/dbraw/zinc/82/26/34/349822634.db2.gz NDKQLSVYDGABBB-DOMZBBRYSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503132 349822639 /nfs/dbraw/zinc/82/26/39/349822639.db2.gz NDKQLSVYDGABBB-DOMZBBRYSA-N 2 2 292.398 3.112 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367590032 529785299 /nfs/dbraw/zinc/78/52/99/529785299.db2.gz RVOQXBNQLHUZRW-GVDBMIGSSA-N 2 2 273.424 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367590032 529785300 /nfs/dbraw/zinc/78/53/00/529785300.db2.gz RVOQXBNQLHUZRW-GVDBMIGSSA-N 2 2 273.424 3.037 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC000623495923 349820134 /nfs/dbraw/zinc/82/01/34/349820134.db2.gz ANSMVSZUEMFAJV-CYBMUJFWSA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC000623495923 349820138 /nfs/dbraw/zinc/82/01/38/349820138.db2.gz ANSMVSZUEMFAJV-CYBMUJFWSA-N 2 2 284.806 3.442 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000623615045 349849678 /nfs/dbraw/zinc/84/96/78/349849678.db2.gz MUSWSUFBMNMASX-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000623615045 349849679 /nfs/dbraw/zinc/84/96/79/349849679.db2.gz MUSWSUFBMNMASX-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000623597849 349844167 /nfs/dbraw/zinc/84/41/67/349844167.db2.gz GBTZCVBQNMSSQI-QGZVFWFLSA-N 2 2 287.407 3.167 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000623656051 349856778 /nfs/dbraw/zinc/85/67/78/349856778.db2.gz LZUJKOSSOIJSCH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000623656051 349856782 /nfs/dbraw/zinc/85/67/82/349856782.db2.gz LZUJKOSSOIJSCH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000623656065 349856900 /nfs/dbraw/zinc/85/69/00/349856900.db2.gz MGIIJRITSGVXQO-HNNXBMFYSA-N 2 2 299.418 3.163 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000623656065 349856901 /nfs/dbraw/zinc/85/69/01/349856901.db2.gz MGIIJRITSGVXQO-HNNXBMFYSA-N 2 2 299.418 3.163 20 0 CGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000623852761 349896166 /nfs/dbraw/zinc/89/61/66/349896166.db2.gz AMYINGZJUFOWMO-OAHLLOKOSA-N 2 2 282.790 3.152 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000623878672 349903116 /nfs/dbraw/zinc/90/31/16/349903116.db2.gz NIRNMVAZQSLRJL-SZMVWBNQSA-N 2 2 290.451 3.145 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423226273 529978821 /nfs/dbraw/zinc/97/88/21/529978821.db2.gz QCKRJTHVJGZLJZ-CQSZACIVSA-N 2 2 254.377 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1cccc(Br)c1 ZINC000423239390 529979094 /nfs/dbraw/zinc/97/90/94/529979094.db2.gz GFPNMFIIBDQJMZ-CQSZACIVSA-N 2 2 299.256 3.345 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423277947 529985889 /nfs/dbraw/zinc/98/58/89/529985889.db2.gz QORNEXULFUPENI-OLZOCXBDSA-N 2 2 289.448 3.316 20 0 CGADLP Fc1ccccc1C1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000045105999 345020794 /nfs/dbraw/zinc/02/07/94/345020794.db2.gz DUYPFBUBEYGXDZ-UHFFFAOYSA-N 2 2 287.382 3.338 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)o1 ZINC000045105758 345020905 /nfs/dbraw/zinc/02/09/05/345020905.db2.gz YCSHQEMVQZYOGG-ZDUSSCGKSA-N 2 2 261.369 3.224 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045106401 345021091 /nfs/dbraw/zinc/02/10/91/345021091.db2.gz PCJHBUHTEREBDA-UHFFFAOYSA-N 2 2 287.407 3.240 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190226 345244024 /nfs/dbraw/zinc/24/40/24/345244024.db2.gz NIDVAOXPMKAWNG-INHTXZAOSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190226 345244026 /nfs/dbraw/zinc/24/40/26/345244026.db2.gz NIDVAOXPMKAWNG-INHTXZAOSA-N 2 2 270.420 3.306 20 0 CGADLP Cc1nc(C(C)(C)[NH2+]CC[C@H]2CCC[N@H+]2C)sc1C ZINC000089615769 232179691 /nfs/dbraw/zinc/17/96/91/232179691.db2.gz CLAFVPZMDVHKFQ-CYBMUJFWSA-N 2 2 281.469 3.069 20 0 CGADLP Cc1nc(C(C)(C)[NH2+]CC[C@H]2CCC[N@@H+]2C)sc1C ZINC000089615769 232179693 /nfs/dbraw/zinc/17/96/93/232179693.db2.gz CLAFVPZMDVHKFQ-CYBMUJFWSA-N 2 2 281.469 3.069 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccsc2)c[nH+]1 ZINC000075758125 345522130 /nfs/dbraw/zinc/52/21/30/345522130.db2.gz KXRLNKIJRRTWST-UHFFFAOYSA-N 2 2 283.400 3.283 20 0 CGADLP Cc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000076803625 345552011 /nfs/dbraw/zinc/55/20/11/345552011.db2.gz ZYQGWZIHXDNEQM-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccco1 ZINC000080777770 345687335 /nfs/dbraw/zinc/68/73/35/345687335.db2.gz SBZZZLRZGOXAQZ-GFCCVEGCSA-N 2 2 288.395 3.082 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)[nH]1 ZINC000080959344 345691988 /nfs/dbraw/zinc/69/19/88/345691988.db2.gz WUULRYXHBDVCOB-LBPRGKRZSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)[nH]1 ZINC000080959344 345691991 /nfs/dbraw/zinc/69/19/91/345691991.db2.gz WUULRYXHBDVCOB-LBPRGKRZSA-N 2 2 298.415 3.399 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334423 345810856 /nfs/dbraw/zinc/81/08/56/345810856.db2.gz DWMSOSOKUSPIRR-AEFFLSMTSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334423 345810859 /nfs/dbraw/zinc/81/08/59/345810859.db2.gz DWMSOSOKUSPIRR-AEFFLSMTSA-N 2 2 287.451 3.385 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000090046618 345778717 /nfs/dbraw/zinc/77/87/17/345778717.db2.gz JQSRPPXOHUIWPR-AEFFLSMTSA-N 2 2 290.451 3.228 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000090772332 345794075 /nfs/dbraw/zinc/79/40/75/345794075.db2.gz ISCKAMDAXDUCIX-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090772332 345794078 /nfs/dbraw/zinc/79/40/78/345794078.db2.gz ISCKAMDAXDUCIX-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(F)cn1)C(C)C ZINC000092766121 345858295 /nfs/dbraw/zinc/85/82/95/345858295.db2.gz CNKSHCGAKXTZIT-AWEZNQCLSA-N 2 2 281.419 3.380 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000092804680 345858809 /nfs/dbraw/zinc/85/88/09/345858809.db2.gz SRYHKQXPLMVVRE-KFWWJZLASA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000092804680 345858815 /nfs/dbraw/zinc/85/88/15/345858815.db2.gz SRYHKQXPLMVVRE-KFWWJZLASA-N 2 2 261.413 3.415 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073019 345829802 /nfs/dbraw/zinc/82/98/02/345829802.db2.gz VWYDNUPHIGCZNO-KZTTYJGESA-N 2 2 285.366 3.442 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073019 345829804 /nfs/dbraw/zinc/82/98/04/345829804.db2.gz VWYDNUPHIGCZNO-KZTTYJGESA-N 2 2 285.366 3.442 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000092072568 345830861 /nfs/dbraw/zinc/83/08/61/345830861.db2.gz BUDJVDWOCQJRPQ-BBWFWOEESA-N 2 2 281.403 3.393 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000092072568 345830863 /nfs/dbraw/zinc/83/08/63/345830863.db2.gz BUDJVDWOCQJRPQ-BBWFWOEESA-N 2 2 281.403 3.393 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2sccc2OC)CC1 ZINC000092165422 345831374 /nfs/dbraw/zinc/83/13/74/345831374.db2.gz CTKQZAWEJWILFE-UHFFFAOYSA-N 2 2 282.453 3.063 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2sccc2OC)CC1 ZINC000092165422 345831378 /nfs/dbraw/zinc/83/13/78/345831378.db2.gz CTKQZAWEJWILFE-UHFFFAOYSA-N 2 2 282.453 3.063 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000177778198 232374986 /nfs/dbraw/zinc/37/49/86/232374986.db2.gz KEDTUCBOYPIGKY-KSSFIOAISA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000177778198 232374992 /nfs/dbraw/zinc/37/49/92/232374992.db2.gz KEDTUCBOYPIGKY-KSSFIOAISA-N 2 2 284.447 3.285 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000150992124 346135108 /nfs/dbraw/zinc/13/51/08/346135108.db2.gz LWYSDNUDTLIZJA-MRXNPFEDSA-N 2 2 264.388 3.303 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000624006687 349942948 /nfs/dbraw/zinc/94/29/48/349942948.db2.gz CAQOSBZTNDKCIW-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000624006687 349942952 /nfs/dbraw/zinc/94/29/52/349942952.db2.gz CAQOSBZTNDKCIW-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000237400842 346345132 /nfs/dbraw/zinc/34/51/32/346345132.db2.gz SEUFEJWPKJWXDF-GDBMZVCRSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000237400842 346345136 /nfs/dbraw/zinc/34/51/36/346345136.db2.gz SEUFEJWPKJWXDF-GDBMZVCRSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000235746045 346337227 /nfs/dbraw/zinc/33/72/27/346337227.db2.gz POOJGKAPPRFYDP-GXTWGEPZSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000235746045 346337230 /nfs/dbraw/zinc/33/72/30/346337230.db2.gz POOJGKAPPRFYDP-GXTWGEPZSA-N 2 2 266.816 3.221 20 0 CGADLP CC1CCC([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000236689079 346342996 /nfs/dbraw/zinc/34/29/96/346342996.db2.gz JGJQEAXSLGGYCT-VJFUWPCTSA-N 2 2 274.452 3.328 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000624077934 349965245 /nfs/dbraw/zinc/96/52/45/349965245.db2.gz HZZFMMYLZQPRLX-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000624077934 349965248 /nfs/dbraw/zinc/96/52/48/349965248.db2.gz HZZFMMYLZQPRLX-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624100990 349970649 /nfs/dbraw/zinc/97/06/49/349970649.db2.gz CRIQSVMZJGGJJR-IKGGRYGDSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624100990 349970651 /nfs/dbraw/zinc/97/06/51/349970651.db2.gz CRIQSVMZJGGJJR-IKGGRYGDSA-N 2 2 276.399 3.146 20 0 CGADLP CCc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000386829269 346568600 /nfs/dbraw/zinc/56/86/00/346568600.db2.gz HLRQUCBBGMRQPI-UHFFFAOYSA-N 2 2 282.431 3.471 20 0 CGADLP CCc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000386829269 346568602 /nfs/dbraw/zinc/56/86/02/346568602.db2.gz HLRQUCBBGMRQPI-UHFFFAOYSA-N 2 2 282.431 3.471 20 0 CGADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000595017683 347258861 /nfs/dbraw/zinc/25/88/61/347258861.db2.gz MVHQGNAWLKQSGE-KGLIPLIRSA-N 2 2 290.492 3.178 20 0 CGADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000595017683 347258863 /nfs/dbraw/zinc/25/88/63/347258863.db2.gz MVHQGNAWLKQSGE-KGLIPLIRSA-N 2 2 290.492 3.178 20 0 CGADLP Cc1cc(C)cc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000599187693 347724613 /nfs/dbraw/zinc/72/46/13/347724613.db2.gz PHHIPZPRQOKAJP-UHFFFAOYSA-N 2 2 299.418 3.216 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638730 187381572 /nfs/dbraw/zinc/38/15/72/187381572.db2.gz UHVJHLPXJDHVSM-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638730 187381573 /nfs/dbraw/zinc/38/15/73/187381573.db2.gz UHVJHLPXJDHVSM-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000604771051 348132852 /nfs/dbraw/zinc/13/28/52/348132852.db2.gz STZOZMMPHWJZMS-LBPRGKRZSA-N 2 2 272.820 3.389 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000606433626 348182179 /nfs/dbraw/zinc/18/21/79/348182179.db2.gz TUJKGTBMLUIKOV-MRXNPFEDSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000606433626 348182182 /nfs/dbraw/zinc/18/21/82/348182182.db2.gz TUJKGTBMLUIKOV-MRXNPFEDSA-N 2 2 260.425 3.266 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427810 215161400 /nfs/dbraw/zinc/16/14/00/215161400.db2.gz CNYOPDNBRIPETM-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427810 215161402 /nfs/dbraw/zinc/16/14/02/215161402.db2.gz CNYOPDNBRIPETM-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427810 215161403 /nfs/dbraw/zinc/16/14/03/215161403.db2.gz CNYOPDNBRIPETM-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427810 215161404 /nfs/dbraw/zinc/16/14/04/215161404.db2.gz CNYOPDNBRIPETM-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000357787636 233004889 /nfs/dbraw/zinc/00/48/89/233004889.db2.gz AKKZAVAPTLUHNY-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624188558 349996185 /nfs/dbraw/zinc/99/61/85/349996185.db2.gz VTCMGDZBMMDWRM-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624188558 349996186 /nfs/dbraw/zinc/99/61/86/349996186.db2.gz VTCMGDZBMMDWRM-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3cc4c(c[nH+]3)CCC4)n2c1 ZINC000339556248 215241006 /nfs/dbraw/zinc/24/10/06/215241006.db2.gz LZLOXAVIGXQEEU-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP Cc1occc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000619766423 349283680 /nfs/dbraw/zinc/28/36/80/349283680.db2.gz DOFYRTUTYAFDRO-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771030 349284216 /nfs/dbraw/zinc/28/42/16/349284216.db2.gz IOLLHUAYCUCGBE-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771030 349284218 /nfs/dbraw/zinc/28/42/18/349284218.db2.gz IOLLHUAYCUCGBE-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270386 350016235 /nfs/dbraw/zinc/01/62/35/350016235.db2.gz NWUKVJUHFNLFBE-ZFWWWQNUSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270386 350016238 /nfs/dbraw/zinc/01/62/38/350016238.db2.gz NWUKVJUHFNLFBE-ZFWWWQNUSA-N 2 2 278.465 3.023 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000271282880 191048061 /nfs/dbraw/zinc/04/80/61/191048061.db2.gz PQFSPSDIMWNOHI-RHSMWYFYSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000271282880 191048063 /nfs/dbraw/zinc/04/80/63/191048063.db2.gz PQFSPSDIMWNOHI-RHSMWYFYSA-N 2 2 294.402 3.448 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000359382312 233309028 /nfs/dbraw/zinc/30/90/28/233309028.db2.gz GZARIMFGBYZEHJ-SJORKVTESA-N 2 2 294.483 3.044 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590402 233340659 /nfs/dbraw/zinc/34/06/59/233340659.db2.gz SUYIGPUJLUUIHO-QAPCUYQASA-N 2 2 295.430 3.394 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590402 233340660 /nfs/dbraw/zinc/34/06/60/233340660.db2.gz SUYIGPUJLUUIHO-QAPCUYQASA-N 2 2 295.430 3.394 20 0 CGADLP COC1(C[NH2+]CCCCNc2cccc[nH+]2)CCCCC1 ZINC000359769328 233375692 /nfs/dbraw/zinc/37/56/92/233375692.db2.gz SIBZIDJNNSOCDY-UHFFFAOYSA-N 2 2 291.439 3.213 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178789 350277735 /nfs/dbraw/zinc/27/77/35/350277735.db2.gz JIMLAAYDPYDBQP-UHFFFAOYSA-N 2 2 291.345 3.139 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000360038619 233415640 /nfs/dbraw/zinc/41/56/40/233415640.db2.gz OFZHIIKQAGYNJT-NEPJUHHUSA-N 2 2 275.421 3.173 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000628207706 350439562 /nfs/dbraw/zinc/43/95/62/350439562.db2.gz HZOFDYHBYFYCNH-INIZCTEOSA-N 2 2 271.408 3.365 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000352211254 219363657 /nfs/dbraw/zinc/36/36/57/219363657.db2.gz JGVSOVVNTZDYNJ-SFHVURJKSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000352211254 219363659 /nfs/dbraw/zinc/36/36/59/219363659.db2.gz JGVSOVVNTZDYNJ-SFHVURJKSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454831 350542423 /nfs/dbraw/zinc/54/24/23/350542423.db2.gz WPQQPSHQVPCDKJ-FZMZJTMJSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454831 350542425 /nfs/dbraw/zinc/54/24/25/350542425.db2.gz WPQQPSHQVPCDKJ-FZMZJTMJSA-N 2 2 272.383 3.027 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000629526975 350702490 /nfs/dbraw/zinc/70/24/90/350702490.db2.gz GOTFCVAUMKXIBO-QCZZGDTMSA-N 2 2 270.779 3.270 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000629528088 350703004 /nfs/dbraw/zinc/70/30/04/350703004.db2.gz OXJAZPDKVFCBTK-YXCITZCRSA-N 2 2 264.438 3.417 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C2CC2)c1 ZINC000629535802 350704713 /nfs/dbraw/zinc/70/47/13/350704713.db2.gz DETLYFXMWWKFKF-PBFPGSCMSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2n1 ZINC000629541846 350707405 /nfs/dbraw/zinc/70/74/05/350707405.db2.gz XEVHEFNBTBKJJU-NFAWXSAZSA-N 2 2 269.392 3.026 20 0 CGADLP COCCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629542309 350707663 /nfs/dbraw/zinc/70/76/63/350707663.db2.gz DNKLUWDZYYBAGD-XKQJLSEDSA-N 2 2 294.414 3.024 20 0 CGADLP CC[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000629545213 350709147 /nfs/dbraw/zinc/70/91/47/350709147.db2.gz KSGHNSLGQWBVDK-MNOVXSKESA-N 2 2 292.370 3.387 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629548392 350710078 /nfs/dbraw/zinc/71/00/78/350710078.db2.gz OFPXFBOBZCBEGI-XQQFMLRXSA-N 2 2 252.427 3.175 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000629547722 350710183 /nfs/dbraw/zinc/71/01/83/350710183.db2.gz KEDCVAJLIRMARU-MWODSPESSA-N 2 2 273.207 3.394 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546873 350710478 /nfs/dbraw/zinc/71/04/78/350710478.db2.gz QFELZXXMQKWGLS-JKIFEVAISA-N 2 2 276.424 3.267 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc12 ZINC000629548914 350710954 /nfs/dbraw/zinc/71/09/54/350710954.db2.gz SBJIORRYOMCQIF-IIYDPXPESA-N 2 2 284.403 3.249 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000271405094 191119160 /nfs/dbraw/zinc/11/91/60/191119160.db2.gz MFNOOEXOSRTCDU-GDBMZVCRSA-N 2 2 287.407 3.330 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C[NH2+]1 ZINC000629414423 350691019 /nfs/dbraw/zinc/69/10/19/350691019.db2.gz ONDQHHSVOGEEGK-WCQYABFASA-N 2 2 289.810 3.118 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000629524138 350701362 /nfs/dbraw/zinc/70/13/62/350701362.db2.gz MITAQRBOIPPGFS-DDTOSNHZSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629673677 350734800 /nfs/dbraw/zinc/73/48/00/350734800.db2.gz BQBLWLUSTVUPJH-GFCCVEGCSA-N 2 2 282.378 3.307 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1cc2ccccc2c[nH+]1 ZINC000631175527 350979691 /nfs/dbraw/zinc/97/96/91/350979691.db2.gz PHBVCOYYOBLSOP-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP Cc1ccc2c[nH+]ccc2c1NCc1c[nH+]c2n1CCC2 ZINC000631226642 350998158 /nfs/dbraw/zinc/99/81/58/350998158.db2.gz DNZNZQDTUIAQTR-UHFFFAOYSA-N 2 2 278.359 3.298 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000631260492 351009807 /nfs/dbraw/zinc/00/98/07/351009807.db2.gz ORLULXUSBDPNFJ-ZGKBOVNRSA-N 2 2 298.352 3.190 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000631260492 351009810 /nfs/dbraw/zinc/00/98/10/351009810.db2.gz ORLULXUSBDPNFJ-ZGKBOVNRSA-N 2 2 298.352 3.190 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000631644538 351103387 /nfs/dbraw/zinc/10/33/87/351103387.db2.gz GMHDQRABNLCBEM-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000631644538 351103391 /nfs/dbraw/zinc/10/33/91/351103391.db2.gz GMHDQRABNLCBEM-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000631645328 351103651 /nfs/dbraw/zinc/10/36/51/351103651.db2.gz ODYYYVPXQMLWPU-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000631645328 351103653 /nfs/dbraw/zinc/10/36/53/351103653.db2.gz ODYYYVPXQMLWPU-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887718 351151937 /nfs/dbraw/zinc/15/19/37/351151937.db2.gz QCRVBGLMIGEIDJ-DOTOQJQBSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887718 351151940 /nfs/dbraw/zinc/15/19/40/351151940.db2.gz QCRVBGLMIGEIDJ-DOTOQJQBSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000634732378 351577403 /nfs/dbraw/zinc/57/74/03/351577403.db2.gz DZCORWFBGUELTQ-LBPRGKRZSA-N 2 2 295.496 3.308 20 0 CGADLP COc1ccc2cc(C[N@H+](C)CC34CC(C3)C[NH2+]4)ccc2c1 ZINC000634991774 351619793 /nfs/dbraw/zinc/61/97/93/351619793.db2.gz RDRUVFOHZLFUJW-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@@H+](C)CC34CC(C3)C[NH2+]4)ccc2c1 ZINC000634991774 351619796 /nfs/dbraw/zinc/61/97/96/351619796.db2.gz RDRUVFOHZLFUJW-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP CC[C@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000635005551 351623924 /nfs/dbraw/zinc/62/39/24/351623924.db2.gz UWNURYYDVUYBBV-QWRGUYRKSA-N 2 2 292.370 3.387 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000123065462 187069335 /nfs/dbraw/zinc/06/93/35/187069335.db2.gz KVKSNZQFRYGDRY-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@H+]1C ZINC000123065462 187069336 /nfs/dbraw/zinc/06/93/36/187069336.db2.gz KVKSNZQFRYGDRY-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123065462 187069337 /nfs/dbraw/zinc/06/93/37/187069337.db2.gz KVKSNZQFRYGDRY-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123065462 187069338 /nfs/dbraw/zinc/06/93/38/187069338.db2.gz KVKSNZQFRYGDRY-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP c1cn([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624666 234056328 /nfs/dbraw/zinc/05/63/28/234056328.db2.gz TZUNSYXWTGXQNF-RDJZCZTQSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn([C@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624666 234056332 /nfs/dbraw/zinc/05/63/32/234056332.db2.gz TZUNSYXWTGXQNF-RDJZCZTQSA-N 2 2 267.376 3.208 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cnccc1C ZINC000271545722 191204187 /nfs/dbraw/zinc/20/41/87/191204187.db2.gz ZOGWVVUGJMJKNJ-AWEZNQCLSA-N 2 2 294.402 3.399 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000365405238 234100525 /nfs/dbraw/zinc/10/05/25/234100525.db2.gz SDBKVUZIMARNHY-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000365405238 234100529 /nfs/dbraw/zinc/10/05/29/234100529.db2.gz SDBKVUZIMARNHY-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)o1 ZINC000367440080 234215229 /nfs/dbraw/zinc/21/52/29/234215229.db2.gz ZJQJMTGAMGCCJL-GFCCVEGCSA-N 2 2 273.380 3.280 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000151125112 187946991 /nfs/dbraw/zinc/94/69/91/187946991.db2.gz HUNVCQZZNWWXRC-GFCCVEGCSA-N 2 2 293.411 3.485 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000152622275 188032252 /nfs/dbraw/zinc/03/22/52/188032252.db2.gz QFLNNTHCTVQVPS-KBPBESRZSA-N 2 2 278.440 3.117 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000368105986 234283998 /nfs/dbraw/zinc/28/39/98/234283998.db2.gz ZIDLTGXXXYQXOT-YPMHNXCESA-N 2 2 281.359 3.364 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccccc2o1 ZINC000368105986 234284001 /nfs/dbraw/zinc/28/40/01/234284001.db2.gz ZIDLTGXXXYQXOT-YPMHNXCESA-N 2 2 281.359 3.364 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000156091043 188242203 /nfs/dbraw/zinc/24/22/03/188242203.db2.gz OEEWWWUQVSAMKZ-HNNXBMFYSA-N 2 2 298.434 3.407 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000156091043 188242204 /nfs/dbraw/zinc/24/22/04/188242204.db2.gz OEEWWWUQVSAMKZ-HNNXBMFYSA-N 2 2 298.434 3.407 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156485928 188264812 /nfs/dbraw/zinc/26/48/12/188264812.db2.gz PUKJTTMTQKJQIO-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156485928 188264814 /nfs/dbraw/zinc/26/48/14/188264814.db2.gz PUKJTTMTQKJQIO-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1cccc(NCCCc2[nH]c3ccccc3[nH+]2)[nH+]1 ZINC000157246645 188306319 /nfs/dbraw/zinc/30/63/19/188306319.db2.gz MHKMZMRFTCVRHQ-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336365925 213217892 /nfs/dbraw/zinc/21/78/92/213217892.db2.gz FQYTVEPYKKUZTG-KRWDZBQOSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000336365925 213217895 /nfs/dbraw/zinc/21/78/95/213217895.db2.gz FQYTVEPYKKUZTG-KRWDZBQOSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336365925 213217898 /nfs/dbraw/zinc/21/78/98/213217898.db2.gz FQYTVEPYKKUZTG-KRWDZBQOSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336365925 213217901 /nfs/dbraw/zinc/21/79/01/213217901.db2.gz FQYTVEPYKKUZTG-KRWDZBQOSA-N 2 2 291.439 3.024 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000414120360 235340913 /nfs/dbraw/zinc/34/09/13/235340913.db2.gz XNEFUGIZXSFDMM-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1Cl ZINC000124680818 138376594 /nfs/dbraw/zinc/37/65/94/138376594.db2.gz AYDSSMJOMIECRC-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1Cl ZINC000124680818 138376596 /nfs/dbraw/zinc/37/65/96/138376596.db2.gz AYDSSMJOMIECRC-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1Cl ZINC000124680818 138376597 /nfs/dbraw/zinc/37/65/97/138376597.db2.gz AYDSSMJOMIECRC-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1Cl ZINC000124680818 138376598 /nfs/dbraw/zinc/37/65/98/138376598.db2.gz AYDSSMJOMIECRC-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000128224220 138392615 /nfs/dbraw/zinc/39/26/15/138392615.db2.gz GTVSOGAJWARKKO-KRWDZBQOSA-N 2 2 276.424 3.222 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000423232944 236004038 /nfs/dbraw/zinc/00/40/38/236004038.db2.gz CUXZWVILMNHSFT-SJORKVTESA-N 2 2 270.351 3.103 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)oc1C ZINC000423236048 236005310 /nfs/dbraw/zinc/00/53/10/236005310.db2.gz HEKLISAYFGPBGA-SWLSCSKDSA-N 2 2 258.365 3.247 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423245059 236007356 /nfs/dbraw/zinc/00/73/56/236007356.db2.gz IMXBQIOQYSBBFM-ROUUACIJSA-N 2 2 282.387 3.059 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1F ZINC000423389520 236059478 /nfs/dbraw/zinc/05/94/78/236059478.db2.gz NOLRSIVMQHANJJ-LRDDRELGSA-N 2 2 294.414 3.263 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccs1 ZINC000423396189 236062109 /nfs/dbraw/zinc/06/21/09/236062109.db2.gz TXSFFGFMGYXAJE-WCQYABFASA-N 2 2 252.427 3.177 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)COC2 ZINC000423377805 236055295 /nfs/dbraw/zinc/05/52/95/236055295.db2.gz FLVVVOUFSLMVQK-SUMWQHHRSA-N 2 2 288.435 3.146 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423380153 236055886 /nfs/dbraw/zinc/05/58/86/236055886.db2.gz GZLXRMACKWHCHR-QWHCGFSZSA-N 2 2 266.454 3.485 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423433938 236069961 /nfs/dbraw/zinc/06/99/61/236069961.db2.gz COSZQOFTVSQMCH-RYUDHWBXSA-N 2 2 290.357 3.380 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)o1 ZINC000423528634 236093141 /nfs/dbraw/zinc/09/31/41/236093141.db2.gz NOHGSHDTNPFIAW-DOPJRALCSA-N 2 2 284.403 3.303 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423556803 236098117 /nfs/dbraw/zinc/09/81/17/236098117.db2.gz MRDPDPFPPWMMJW-FZMZJTMJSA-N 2 2 297.240 3.242 20 0 CGADLP c1cc2c(c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c1)NCC2 ZINC000262358469 138561536 /nfs/dbraw/zinc/56/15/36/138561536.db2.gz WEIDEMHCLVRYBZ-UHFFFAOYSA-N 2 2 299.462 3.105 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000294637655 199117052 /nfs/dbraw/zinc/11/70/52/199117052.db2.gz PRNNMZNPKNCCFX-JYYAWHABSA-N 2 2 299.418 3.479 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1 ZINC000294751172 199165785 /nfs/dbraw/zinc/16/57/85/199165785.db2.gz IFORRFPFBCRYKR-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1 ZINC000294751172 199165787 /nfs/dbraw/zinc/16/57/87/199165787.db2.gz IFORRFPFBCRYKR-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C)c1 ZINC000294751172 199165789 /nfs/dbraw/zinc/16/57/89/199165789.db2.gz IFORRFPFBCRYKR-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)c1 ZINC000294751172 199165791 /nfs/dbraw/zinc/16/57/91/199165791.db2.gz IFORRFPFBCRYKR-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP FC1(F)CC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430036738 236527948 /nfs/dbraw/zinc/52/79/48/236527948.db2.gz FQBNGYVRUSSGRW-LLVKDONJSA-N 2 2 297.374 3.459 20 0 CGADLP Cc1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)cs1 ZINC000294937713 199260135 /nfs/dbraw/zinc/26/01/35/199260135.db2.gz CKHCFHQJORKHSX-UHFFFAOYSA-N 2 2 271.389 3.037 20 0 CGADLP c1cn2c([nH+]1)[C@@H](Nc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000296666192 199963812 /nfs/dbraw/zinc/96/38/12/199963812.db2.gz FNKGUDGCZJYZDX-KRWDZBQOSA-N 2 2 296.418 3.426 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000437008896 237230043 /nfs/dbraw/zinc/23/00/43/237230043.db2.gz XKDUFBIESVYHLK-LNLFQRSKSA-N 2 2 295.430 3.298 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC[N@@H+]1C ZINC000437779497 237347924 /nfs/dbraw/zinc/34/79/24/237347924.db2.gz VDKMWCIFWPNGNI-XGXHKWSGSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC[N@H+]1C ZINC000437779497 237347928 /nfs/dbraw/zinc/34/79/28/237347928.db2.gz VDKMWCIFWPNGNI-XGXHKWSGSA-N 2 2 286.463 3.470 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297593261 200236113 /nfs/dbraw/zinc/23/61/13/200236113.db2.gz SZGMOPWHKKOUQV-QZTJIDSGSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297593261 200236115 /nfs/dbraw/zinc/23/61/15/200236115.db2.gz SZGMOPWHKKOUQV-QZTJIDSGSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000297776968 200279545 /nfs/dbraw/zinc/27/95/45/200279545.db2.gz MKSIDIMQESUZQA-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000297776968 200279546 /nfs/dbraw/zinc/27/95/46/200279546.db2.gz MKSIDIMQESUZQA-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cs1 ZINC000297839495 200289784 /nfs/dbraw/zinc/28/97/84/200289784.db2.gz SISIZHKOFWTKNN-ITDIGPHOSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cs1 ZINC000297839495 200289786 /nfs/dbraw/zinc/28/97/86/200289786.db2.gz SISIZHKOFWTKNN-ITDIGPHOSA-N 2 2 264.438 3.190 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000298089989 200331405 /nfs/dbraw/zinc/33/14/05/200331405.db2.gz MOGMREPLNRTZEW-VKJFTORMSA-N 2 2 283.419 3.229 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000298089989 200331407 /nfs/dbraw/zinc/33/14/07/200331407.db2.gz MOGMREPLNRTZEW-VKJFTORMSA-N 2 2 283.419 3.229 20 0 CGADLP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017688 189021507 /nfs/dbraw/zinc/02/15/07/189021507.db2.gz QPLUBTAXGZKZOA-HOCLYGCPSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017688 189021508 /nfs/dbraw/zinc/02/15/08/189021508.db2.gz QPLUBTAXGZKZOA-HOCLYGCPSA-N 2 2 284.407 3.278 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000341996532 216181329 /nfs/dbraw/zinc/18/13/29/216181329.db2.gz RQOHYYHHZFSMAM-KBPBESRZSA-N 2 2 294.414 3.359 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000341996532 216181332 /nfs/dbraw/zinc/18/13/32/216181332.db2.gz RQOHYYHHZFSMAM-KBPBESRZSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(F)c1F ZINC000342197227 216256009 /nfs/dbraw/zinc/25/60/09/216256009.db2.gz TWGVHRMXURJQJZ-CHWSQXEVSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(F)c1F ZINC000342197227 216256011 /nfs/dbraw/zinc/25/60/11/216256011.db2.gz TWGVHRMXURJQJZ-CHWSQXEVSA-N 2 2 282.378 3.490 20 0 CGADLP FC(F)(F)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000342276063 216286906 /nfs/dbraw/zinc/28/69/06/216286906.db2.gz AXSDANHSVLJBDA-UHFFFAOYSA-N 2 2 295.308 3.303 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](F)C2)n1-c1ccccc1 ZINC000342270155 216284628 /nfs/dbraw/zinc/28/46/28/216284628.db2.gz AIPARNXOGFWCOW-UONOGXRCSA-N 2 2 273.355 3.161 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(F)F)c1 ZINC000181085620 189288388 /nfs/dbraw/zinc/28/83/88/189288388.db2.gz OGFMMRGKRGGJKT-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(F)F)c1 ZINC000181085620 189288389 /nfs/dbraw/zinc/28/83/89/189288389.db2.gz OGFMMRGKRGGJKT-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181739482 189305409 /nfs/dbraw/zinc/30/54/09/189305409.db2.gz SESMQXJSMFLUFP-HOCLYGCPSA-N 2 2 284.407 3.326 20 0 CGADLP CCCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000182143269 189314921 /nfs/dbraw/zinc/31/49/21/189314921.db2.gz YGEVYVLRHJBMEV-KRWDZBQOSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565573 370687525 /nfs/dbraw/zinc/68/75/25/370687525.db2.gz PZJCBFCPLPVRGK-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565573 370687528 /nfs/dbraw/zinc/68/75/28/370687528.db2.gz PZJCBFCPLPVRGK-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP Cc1cc(NCC[N@@H+](C)C(C)C)c2cccc(F)c2[nH+]1 ZINC000301644354 201111370 /nfs/dbraw/zinc/11/13/70/201111370.db2.gz CJIFQCSOXCVPNU-UHFFFAOYSA-N 2 2 275.371 3.434 20 0 CGADLP Cc1cc(NCC[N@H+](C)C(C)C)c2cccc(F)c2[nH+]1 ZINC000301644354 201111372 /nfs/dbraw/zinc/11/13/72/201111372.db2.gz CJIFQCSOXCVPNU-UHFFFAOYSA-N 2 2 275.371 3.434 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCn1cc[nH+]c1 ZINC000184285318 189381672 /nfs/dbraw/zinc/38/16/72/189381672.db2.gz DLQQXNRGESSUFQ-LBPRGKRZSA-N 2 2 286.404 3.186 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000184285318 189381673 /nfs/dbraw/zinc/38/16/73/189381673.db2.gz DLQQXNRGESSUFQ-LBPRGKRZSA-N 2 2 286.404 3.186 20 0 CGADLP CC[N@H+](C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000301817164 201215280 /nfs/dbraw/zinc/21/52/80/201215280.db2.gz JZTUEAPIXSODIV-UHFFFAOYSA-N 2 2 264.417 3.087 20 0 CGADLP CC[N@@H+](C)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000301817164 201215283 /nfs/dbraw/zinc/21/52/83/201215283.db2.gz JZTUEAPIXSODIV-UHFFFAOYSA-N 2 2 264.417 3.087 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000342471920 216363193 /nfs/dbraw/zinc/36/31/93/216363193.db2.gz OZDFHBOSADAXHZ-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000342471920 216363197 /nfs/dbraw/zinc/36/31/97/216363197.db2.gz OZDFHBOSADAXHZ-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000449061398 239148441 /nfs/dbraw/zinc/14/84/41/239148441.db2.gz ILVFHCOEMGFWMV-GOEBONIOSA-N 2 2 289.810 3.462 20 0 CGADLP Cc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000302077567 201333263 /nfs/dbraw/zinc/33/32/63/201333263.db2.gz HVCPGVOIEPLHBB-GFCCVEGCSA-N 2 2 290.455 3.052 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@@H+]1C ZINC000421344338 291288363 /nfs/dbraw/zinc/28/83/63/291288363.db2.gz PJUSJYPZMOBTAL-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@H+]1C ZINC000421344338 291288366 /nfs/dbraw/zinc/28/83/66/291288366.db2.gz PJUSJYPZMOBTAL-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)c1nc(NCC2(C[NH+](C)C)CCCC2)cc[nH+]1 ZINC000302167929 201375835 /nfs/dbraw/zinc/37/58/35/201375835.db2.gz SKGAHVVHJVPSMJ-UHFFFAOYSA-N 2 2 276.428 3.134 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000449235661 239260333 /nfs/dbraw/zinc/26/03/33/239260333.db2.gz VHXCWSPDICRXPA-CPUCHLNUSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449235661 239260339 /nfs/dbraw/zinc/26/03/39/239260339.db2.gz VHXCWSPDICRXPA-CPUCHLNUSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457363 370769661 /nfs/dbraw/zinc/76/96/61/370769661.db2.gz BHWSDVAOCVSBRT-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457363 370769664 /nfs/dbraw/zinc/76/96/64/370769664.db2.gz BHWSDVAOCVSBRT-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449742350 239622764 /nfs/dbraw/zinc/62/27/64/239622764.db2.gz ZBSIIGNZJBXOOT-UHFFFAOYSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1c[nH+]c(CCn2c[nH+]c3c2CCCC3)c(C)c1 ZINC000335622604 212335480 /nfs/dbraw/zinc/33/54/80/212335480.db2.gz OEARDTWMRFEDIJ-UHFFFAOYSA-N 2 2 255.365 3.016 20 0 CGADLP Cc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c(C)[nH+]1 ZINC000451002744 240189415 /nfs/dbraw/zinc/18/94/15/240189415.db2.gz SAFYHCWKYCQNOX-RYUDHWBXSA-N 2 2 269.392 3.314 20 0 CGADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450876376 240130428 /nfs/dbraw/zinc/13/04/28/240130428.db2.gz PKCOKHQYMHNBNL-IBGZPJMESA-N 2 2 299.462 3.336 20 0 CGADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450876376 240130432 /nfs/dbraw/zinc/13/04/32/240130432.db2.gz PKCOKHQYMHNBNL-IBGZPJMESA-N 2 2 299.462 3.336 20 0 CGADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450876376 240130435 /nfs/dbraw/zinc/13/04/35/240130435.db2.gz PKCOKHQYMHNBNL-IBGZPJMESA-N 2 2 299.462 3.336 20 0 CGADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450876376 240130439 /nfs/dbraw/zinc/13/04/39/240130439.db2.gz PKCOKHQYMHNBNL-IBGZPJMESA-N 2 2 299.462 3.336 20 0 CGADLP C[NH+](C)CCc1ccccc1NCc1cccc2[nH+]ccn21 ZINC000275596166 193082525 /nfs/dbraw/zinc/08/25/25/193082525.db2.gz JZRPDWQFOBEOLI-UHFFFAOYSA-N 2 2 294.402 3.051 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000121112336 370831233 /nfs/dbraw/zinc/83/12/33/370831233.db2.gz GWMBKHASOFNHBC-OCCSQVGLSA-N 2 2 279.428 3.151 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000121112336 370831238 /nfs/dbraw/zinc/83/12/38/370831238.db2.gz GWMBKHASOFNHBC-OCCSQVGLSA-N 2 2 279.428 3.151 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000121274236 370846070 /nfs/dbraw/zinc/84/60/70/370846070.db2.gz LSHMJNOKLDRNDZ-UHFFFAOYSA-N 2 2 272.392 3.315 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121431507 370861102 /nfs/dbraw/zinc/86/11/02/370861102.db2.gz NQKMEDSCPYOEDA-PBHICJAKSA-N 2 2 287.382 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121431507 370861107 /nfs/dbraw/zinc/86/11/07/370861107.db2.gz NQKMEDSCPYOEDA-PBHICJAKSA-N 2 2 287.382 3.148 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc2c(c1)CCC2 ZINC000346812056 299373319 /nfs/dbraw/zinc/37/33/19/299373319.db2.gz WANGVXVNZUAPLO-SUNYJGFJSA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc2c(c1)CCC2 ZINC000346812056 299373316 /nfs/dbraw/zinc/37/33/16/299373316.db2.gz WANGVXVNZUAPLO-SUNYJGFJSA-N 2 2 272.436 3.309 20 0 CGADLP CC(C)C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000459656734 242165964 /nfs/dbraw/zinc/16/59/64/242165964.db2.gz HROOBUMIXQWYQX-KRWDZBQOSA-N 2 2 285.435 3.382 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000459660435 242167224 /nfs/dbraw/zinc/16/72/24/242167224.db2.gz LLGPOVRBZDCCQY-QGZVFWFLSA-N 2 2 299.393 3.327 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459767170 242220723 /nfs/dbraw/zinc/22/07/23/242220723.db2.gz PQHHZJVQUVKOJD-UHFFFAOYSA-N 2 2 275.783 3.251 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459767170 242220726 /nfs/dbraw/zinc/22/07/26/242220726.db2.gz PQHHZJVQUVKOJD-UHFFFAOYSA-N 2 2 275.783 3.251 20 0 CGADLP C[C@@H]([NH2+]C1(c2c(Cl)cccc2Cl)CC1)C1C[NH2+]C1 ZINC000422952163 296112923 /nfs/dbraw/zinc/11/29/23/296112923.db2.gz AEANREKWBFRDPI-SECBINFHSA-N 2 2 285.218 3.180 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c(C)c1 ZINC000479434162 243102977 /nfs/dbraw/zinc/10/29/77/243102977.db2.gz CKRWWPIUQYLPJA-KUHUBIRLSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c(C)c1 ZINC000479434162 243102980 /nfs/dbraw/zinc/10/29/80/243102980.db2.gz CKRWWPIUQYLPJA-KUHUBIRLSA-N 2 2 297.446 3.357 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810786 243208718 /nfs/dbraw/zinc/20/87/18/243208718.db2.gz ANYVJRVOQJFTEY-DIPIGXQDSA-N 2 2 296.817 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810786 243208722 /nfs/dbraw/zinc/20/87/22/243208722.db2.gz ANYVJRVOQJFTEY-DIPIGXQDSA-N 2 2 296.817 3.207 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000482512959 243228892 /nfs/dbraw/zinc/22/88/92/243228892.db2.gz SPUZJOOSMXKHJH-QGZVFWFLSA-N 2 2 272.436 3.107 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000482512959 243228898 /nfs/dbraw/zinc/22/88/98/243228898.db2.gz SPUZJOOSMXKHJH-QGZVFWFLSA-N 2 2 272.436 3.107 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1CC1(C)C ZINC000486959305 243386460 /nfs/dbraw/zinc/38/64/60/243386460.db2.gz VNIWNWDGSXGJFU-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC1(C)C ZINC000486968381 243388224 /nfs/dbraw/zinc/38/82/24/243388224.db2.gz OBRHIRMHAHUECN-USXIJHARSA-N 2 2 274.452 3.184 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)ccc1F ZINC000019905862 368779011 /nfs/dbraw/zinc/77/90/11/368779011.db2.gz MRTIKQBUNIUNRL-LLVKDONJSA-N 2 2 270.367 3.203 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000019943036 368788215 /nfs/dbraw/zinc/78/82/15/368788215.db2.gz PMTJVYIIBMDHPT-CQSZACIVSA-N 2 2 294.439 3.086 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019960560 368790718 /nfs/dbraw/zinc/79/07/18/368790718.db2.gz UYPUBZRBHNDYKR-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019960560 368790723 /nfs/dbraw/zinc/79/07/23/368790723.db2.gz UYPUBZRBHNDYKR-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP Clc1ccccc1C1CC([NH2+]CC[NH+]2CCCC2)C1 ZINC000036843388 369032688 /nfs/dbraw/zinc/03/26/88/369032688.db2.gz JCYUOCIVZZDSTM-UHFFFAOYSA-N 2 2 278.827 3.271 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000036932212 369040052 /nfs/dbraw/zinc/04/00/52/369040052.db2.gz HXAMCZQXGDCRRZ-ZDUSSCGKSA-N 2 2 287.432 3.463 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2OC)CC1 ZINC000037089753 369062137 /nfs/dbraw/zinc/06/21/37/369062137.db2.gz VTNKIBILHKIOIS-CYBMUJFWSA-N 2 2 294.414 3.359 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000037149923 369069772 /nfs/dbraw/zinc/06/97/72/369069772.db2.gz YXOQTMOXMDPVJR-UHFFFAOYSA-N 2 2 282.378 3.319 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000037156938 369073042 /nfs/dbraw/zinc/07/30/42/369073042.db2.gz KKSIRHLYWHZQLZ-CMPLNLGQSA-N 2 2 263.410 3.301 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157382 369073281 /nfs/dbraw/zinc/07/32/81/369073281.db2.gz QCTWBKFFXOQXFK-GJZGRUSLSA-N 2 2 287.407 3.411 20 0 CGADLP COc1cccc([C@@H](CNc2cccc(C)[nH+]2)[NH+](C)C)c1 ZINC000037670514 369099567 /nfs/dbraw/zinc/09/95/67/369099567.db2.gz BDLOUAOSYKTFMO-MRXNPFEDSA-N 2 2 285.391 3.113 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000037878840 369122614 /nfs/dbraw/zinc/12/26/14/369122614.db2.gz WJAHLOQUVVKPKA-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000423410399 296134147 /nfs/dbraw/zinc/13/41/47/296134147.db2.gz ADQWGOPTQVDRLM-CXAGYDPISA-N 2 2 258.409 3.042 20 0 CGADLP Clc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1 ZINC000041064088 369172364 /nfs/dbraw/zinc/17/23/64/369172364.db2.gz AJASVQLKRBHMSJ-HNNXBMFYSA-N 2 2 275.783 3.277 20 0 CGADLP FC(F)(F)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119757 369175881 /nfs/dbraw/zinc/17/58/81/369175881.db2.gz ILKGIGRXOBHQCG-CYBMUJFWSA-N 2 2 283.297 3.166 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)s1 ZINC000041202838 369180062 /nfs/dbraw/zinc/18/00/62/369180062.db2.gz KXENFGKEPBSDSL-GFCCVEGCSA-N 2 2 252.427 3.057 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669687 244208496 /nfs/dbraw/zinc/20/84/96/244208496.db2.gz OYOBVOHBYVWZLA-HKFAYQRXSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669687 244208501 /nfs/dbraw/zinc/20/85/01/244208501.db2.gz OYOBVOHBYVWZLA-HKFAYQRXSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684170 369265207 /nfs/dbraw/zinc/26/52/07/369265207.db2.gz BNOWQCGDPNPWKL-BXUZGUMPSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684170 369265209 /nfs/dbraw/zinc/26/52/09/369265209.db2.gz BNOWQCGDPNPWKL-BXUZGUMPSA-N 2 2 264.800 3.227 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684688 369265535 /nfs/dbraw/zinc/26/55/35/369265535.db2.gz YPBURIAKEKOWKS-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684688 369265539 /nfs/dbraw/zinc/26/55/39/369265539.db2.gz YPBURIAKEKOWKS-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632015 244307986 /nfs/dbraw/zinc/30/79/86/244307986.db2.gz KYYGFBWJTAFIHD-VKJFTORMSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632015 244307990 /nfs/dbraw/zinc/30/79/90/244307990.db2.gz KYYGFBWJTAFIHD-VKJFTORMSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000494844280 244323469 /nfs/dbraw/zinc/32/34/69/244323469.db2.gz AFOGVKUZWXQGHV-INMHGKMJSA-N 2 2 292.492 3.471 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000494923947 244331460 /nfs/dbraw/zinc/33/14/60/244331460.db2.gz RPOXGGDPOXOGAX-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000495003001 244345664 /nfs/dbraw/zinc/34/56/64/244345664.db2.gz FUORMISDQPKXEH-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000495003001 244345668 /nfs/dbraw/zinc/34/56/68/244345668.db2.gz FUORMISDQPKXEH-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000495050274 244349516 /nfs/dbraw/zinc/34/95/16/244349516.db2.gz MDYBOYFBZBAREQ-WBOSRHFRSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000495050274 244349522 /nfs/dbraw/zinc/34/95/22/244349522.db2.gz MDYBOYFBZBAREQ-WBOSRHFRSA-N 2 2 272.436 3.456 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059180846 369579470 /nfs/dbraw/zinc/57/94/70/369579470.db2.gz VPIIFQUMWCKHLR-UHFFFAOYSA-N 2 2 281.469 3.015 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061980794 369614163 /nfs/dbraw/zinc/61/41/63/369614163.db2.gz UVQAIQAGRJZHDF-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061980794 369614164 /nfs/dbraw/zinc/61/41/64/369614164.db2.gz UVQAIQAGRJZHDF-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188364 369642253 /nfs/dbraw/zinc/64/22/53/369642253.db2.gz VXUVDVFLLALYPB-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188364 369642257 /nfs/dbraw/zinc/64/22/57/369642257.db2.gz VXUVDVFLLALYPB-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP CC(C)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254432 369623446 /nfs/dbraw/zinc/62/34/46/369623446.db2.gz JQAFIXKHOACXPC-OAHLLOKOSA-N 2 2 271.408 3.432 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000070150140 369781914 /nfs/dbraw/zinc/78/19/14/369781914.db2.gz PMRCSJWPDHTOQO-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000070150140 369781921 /nfs/dbraw/zinc/78/19/21/369781921.db2.gz PMRCSJWPDHTOQO-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000070148727 369782570 /nfs/dbraw/zinc/78/25/70/369782570.db2.gz NVONBZUVZSTAOY-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000070148727 369782574 /nfs/dbraw/zinc/78/25/74/369782574.db2.gz NVONBZUVZSTAOY-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP COc1ccc([C@H](C[NH2+]C(C)C)[NH+]2CCCCC2)cc1 ZINC000075825501 369917490 /nfs/dbraw/zinc/91/74/90/369917490.db2.gz YMIXNWVQZJPXIZ-KRWDZBQOSA-N 2 2 276.424 3.220 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080987864 369993304 /nfs/dbraw/zinc/99/33/04/369993304.db2.gz OFJNZPKQXFOHGG-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080987864 369993308 /nfs/dbraw/zinc/99/33/08/369993308.db2.gz OFJNZPKQXFOHGG-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090667999 370063469 /nfs/dbraw/zinc/06/34/69/370063469.db2.gz MSMMEVWUDOTKPH-CQSZACIVSA-N 2 2 299.462 3.385 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928820 370257156 /nfs/dbraw/zinc/25/71/56/370257156.db2.gz HXYKZBOJNJBOKN-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000098161769 370267988 /nfs/dbraw/zinc/26/79/88/370267988.db2.gz XOIMCJFNWJTOLI-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000511987236 245014391 /nfs/dbraw/zinc/01/43/91/245014391.db2.gz GASPGDUBZRNEAI-UYSNPLJNSA-N 2 2 275.440 3.250 20 0 CGADLP COc1cccc2c(N3CCC[C@@H]([NH+](C)C)CC3)cc[nH+]c12 ZINC000277191968 193580243 /nfs/dbraw/zinc/58/02/43/193580243.db2.gz OPJXSDJVEBPOGL-CQSZACIVSA-N 2 2 299.418 3.164 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277342892 193625755 /nfs/dbraw/zinc/62/57/55/193625755.db2.gz WFJLZDRSTJIITC-STQMWFEESA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277342892 193625756 /nfs/dbraw/zinc/62/57/56/193625756.db2.gz WFJLZDRSTJIITC-STQMWFEESA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000113934262 370487140 /nfs/dbraw/zinc/48/71/40/370487140.db2.gz HGRCQZOJPOYLFA-IAGOWNOFSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000113934262 370487146 /nfs/dbraw/zinc/48/71/46/370487146.db2.gz HGRCQZOJPOYLFA-IAGOWNOFSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000113934262 370487152 /nfs/dbraw/zinc/48/71/52/370487152.db2.gz HGRCQZOJPOYLFA-IAGOWNOFSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000113934262 370487159 /nfs/dbraw/zinc/48/71/59/370487159.db2.gz HGRCQZOJPOYLFA-IAGOWNOFSA-N 2 2 287.451 3.168 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514083955 245105217 /nfs/dbraw/zinc/10/52/17/245105217.db2.gz NNLZMKQYDNBSOQ-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514083955 245105223 /nfs/dbraw/zinc/10/52/23/245105223.db2.gz NNLZMKQYDNBSOQ-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000151134368 371573730 /nfs/dbraw/zinc/57/37/30/371573730.db2.gz XDYGXHXNVXMGDI-GFCCVEGCSA-N 2 2 275.421 3.174 20 0 CGADLP COC1([C@H](C)[NH2+]CCc2cc[nH+]cc2C)CCCCC1 ZINC000421834948 371657463 /nfs/dbraw/zinc/65/74/63/371657463.db2.gz LTACCUOUZUBGAT-HNNXBMFYSA-N 2 2 276.424 3.260 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421837859 371660831 /nfs/dbraw/zinc/66/08/31/371660831.db2.gz UDSXQKGRHXZAEV-DYEKYZERSA-N 2 2 296.842 3.482 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421837859 371660839 /nfs/dbraw/zinc/66/08/39/371660839.db2.gz UDSXQKGRHXZAEV-DYEKYZERSA-N 2 2 296.842 3.482 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccncc1Cl ZINC000421839651 371663443 /nfs/dbraw/zinc/66/34/43/371663443.db2.gz YDDBAHNRZIVWAU-GFCCVEGCSA-N 2 2 275.783 3.332 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152732974 371720014 /nfs/dbraw/zinc/72/00/14/371720014.db2.gz YCDJRPWBHRCEDS-CYBMUJFWSA-N 2 2 289.448 3.483 20 0 CGADLP C[N@@H+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152466565 371697978 /nfs/dbraw/zinc/69/79/78/371697978.db2.gz DXOULRIVXTVUIV-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152466565 371697980 /nfs/dbraw/zinc/69/79/80/371697980.db2.gz DXOULRIVXTVUIV-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152466565 371697982 /nfs/dbraw/zinc/69/79/82/371697982.db2.gz DXOULRIVXTVUIV-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152466565 371697986 /nfs/dbraw/zinc/69/79/86/371697986.db2.gz DXOULRIVXTVUIV-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422762998 371791595 /nfs/dbraw/zinc/79/15/95/371791595.db2.gz IQHVADHUHZQVHH-RISCZKNCSA-N 2 2 284.856 3.020 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422696629 371756964 /nfs/dbraw/zinc/75/69/64/371756964.db2.gz SFAKRIOWYHUOEK-QAPCUYQASA-N 2 2 290.451 3.233 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1(C)CC1 ZINC000153821002 371792164 /nfs/dbraw/zinc/79/21/64/371792164.db2.gz RIDTXZOQHMSLNH-CQSZACIVSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422707684 371762333 /nfs/dbraw/zinc/76/23/33/371762333.db2.gz ANEVNGLFCZXQFL-ZLIFDBKOSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422762996 371793197 /nfs/dbraw/zinc/79/31/97/371793197.db2.gz IQHVADHUHZQVHH-FZMZJTMJSA-N 2 2 284.856 3.020 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000289724080 371802426 /nfs/dbraw/zinc/80/24/26/371802426.db2.gz OOUSYWNLNVSWOH-SFHVURJKSA-N 2 2 298.434 3.283 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813746 371827158 /nfs/dbraw/zinc/82/71/58/371827158.db2.gz ZSZLAADMYIYURC-JTNHKYCSSA-N 2 2 284.350 3.079 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422875793 371850403 /nfs/dbraw/zinc/85/04/03/371850403.db2.gz PIIKWKCEXMCVNJ-CYBMUJFWSA-N 2 2 285.391 3.052 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154534737 371853401 /nfs/dbraw/zinc/85/34/01/371853401.db2.gz BLKXFKZWDHYHSC-DGCLKSJQSA-N 2 2 281.469 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154534737 371853406 /nfs/dbraw/zinc/85/34/06/371853406.db2.gz BLKXFKZWDHYHSC-DGCLKSJQSA-N 2 2 281.469 3.320 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1Br ZINC000422894166 371859770 /nfs/dbraw/zinc/85/97/70/371859770.db2.gz SLKLBEWGAFUNIK-CQSZACIVSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000290210695 371935339 /nfs/dbraw/zinc/93/53/39/371935339.db2.gz QNNIDTXIYYWWGB-CRAIPNDOSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423063579 371942011 /nfs/dbraw/zinc/94/20/11/371942011.db2.gz PGAXWDQCSZLYIF-XBFCOCLRSA-N 2 2 286.341 3.063 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1C ZINC000290090247 371901752 /nfs/dbraw/zinc/90/17/52/371901752.db2.gz REIIWFCSFNYZQG-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1C ZINC000290090247 371901758 /nfs/dbraw/zinc/90/17/58/371901758.db2.gz REIIWFCSFNYZQG-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009058 371913635 /nfs/dbraw/zinc/91/36/35/371913635.db2.gz BVEIACVPGPDJST-CSMYWGQOSA-N 2 2 276.399 3.315 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009060 371913756 /nfs/dbraw/zinc/91/37/56/371913756.db2.gz BVEIACVPGPDJST-JCURWCKSSA-N 2 2 276.399 3.315 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCC(C)C ZINC000155267960 371917957 /nfs/dbraw/zinc/91/79/57/371917957.db2.gz CCKSMQLGLQBLLE-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCC(C)C ZINC000155267960 371917960 /nfs/dbraw/zinc/91/79/60/371917960.db2.gz CCKSMQLGLQBLLE-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCSCC(C)C ZINC000155267960 371917966 /nfs/dbraw/zinc/91/79/66/371917966.db2.gz CCKSMQLGLQBLLE-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSCC(C)C ZINC000155267960 371917971 /nfs/dbraw/zinc/91/79/71/371917971.db2.gz CCKSMQLGLQBLLE-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423037575 371928101 /nfs/dbraw/zinc/92/81/01/371928101.db2.gz MXPVIISULGGYPF-LLVKDONJSA-N 2 2 275.783 3.307 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150497 371992447 /nfs/dbraw/zinc/99/24/47/371992447.db2.gz ZFVQNAWHCJXNAL-GDZNZVCISA-N 2 2 258.409 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172041 372003082 /nfs/dbraw/zinc/00/30/82/372003082.db2.gz QZEZGJCNQJVVHU-RDJZCZTQSA-N 2 2 298.430 3.005 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423152713 371993834 /nfs/dbraw/zinc/99/38/34/371993834.db2.gz MAZNOXYRKACWAZ-HUHSQHJXSA-N 2 2 288.435 3.124 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nccs1 ZINC000423168980 371999786 /nfs/dbraw/zinc/99/97/86/371999786.db2.gz IHXQSSLOZORVSR-CFVMTHIKSA-N 2 2 287.432 3.287 20 0 CGADLP CCc1cnc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000344146021 217073306 /nfs/dbraw/zinc/07/33/06/217073306.db2.gz CKTKFFLGKYFUKZ-UHFFFAOYSA-N 2 2 281.469 3.104 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423090526 371956583 /nfs/dbraw/zinc/95/65/83/371956583.db2.gz XWDJZRVFOQIGDG-WBMJQRKESA-N 2 2 288.366 3.173 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2Cl)CC1 ZINC000157438809 372021486 /nfs/dbraw/zinc/02/14/86/372021486.db2.gz LYXFIUGHTNTCCZ-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000157438809 372021495 /nfs/dbraw/zinc/02/14/95/372021495.db2.gz LYXFIUGHTNTCCZ-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)c(F)c(F)c1 ZINC000423179945 372009419 /nfs/dbraw/zinc/00/94/19/372009419.db2.gz NAIRDHHSZHTYJR-JTQLQIEISA-N 2 2 286.341 3.416 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423186027 372012364 /nfs/dbraw/zinc/01/23/64/372012364.db2.gz JUOQUSZOUDKHFA-IRXDYDNUSA-N 2 2 258.409 3.178 20 0 CGADLP C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158543539 372072352 /nfs/dbraw/zinc/07/23/52/372072352.db2.gz YCYURZMTYUKBHS-CQSZACIVSA-N 2 2 280.375 3.062 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000159010596 372099125 /nfs/dbraw/zinc/09/91/25/372099125.db2.gz KHOPGOUGVNTPOU-JQWIXIFHSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000159010596 372099128 /nfs/dbraw/zinc/09/91/28/372099128.db2.gz KHOPGOUGVNTPOU-JQWIXIFHSA-N 2 2 296.827 3.076 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672407 541867791 /nfs/dbraw/zinc/86/77/91/541867791.db2.gz KHAPXTNRUYROLV-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672407 541867794 /nfs/dbraw/zinc/86/77/94/541867794.db2.gz KHAPXTNRUYROLV-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CC)CC2)s1 ZINC000159261998 372122786 /nfs/dbraw/zinc/12/27/86/372122786.db2.gz WZUCPCFTQMZSSG-NSHDSACASA-N 2 2 281.469 3.149 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672009 541867923 /nfs/dbraw/zinc/86/79/23/541867923.db2.gz FAZMAGZNJQNZRU-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672009 541867927 /nfs/dbraw/zinc/86/79/27/541867927.db2.gz FAZMAGZNJQNZRU-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672083 541867987 /nfs/dbraw/zinc/86/79/87/541867987.db2.gz NKICISNTPCASQB-IRXDYDNUSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672083 541867990 /nfs/dbraw/zinc/86/79/90/541867990.db2.gz NKICISNTPCASQB-IRXDYDNUSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000428543226 372230558 /nfs/dbraw/zinc/23/05/58/372230558.db2.gz HJHQTLZQKDVXNB-NXHRZFHOSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000428543226 372230563 /nfs/dbraw/zinc/23/05/63/372230563.db2.gz HJHQTLZQKDVXNB-NXHRZFHOSA-N 2 2 284.447 3.429 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672206 541868807 /nfs/dbraw/zinc/86/88/07/541868807.db2.gz PHIHIUXJKWPDSZ-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672206 541868810 /nfs/dbraw/zinc/86/88/10/541868810.db2.gz PHIHIUXJKWPDSZ-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@H]4CCC[C@H]43)c2)c[nH+]1 ZINC000428452532 372204090 /nfs/dbraw/zinc/20/40/90/372204090.db2.gz LUDARZDQZGVYAS-IUODEOHRSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@H]4CCC[C@H]43)c2)c[nH+]1 ZINC000428452532 372204097 /nfs/dbraw/zinc/20/40/97/372204097.db2.gz LUDARZDQZGVYAS-IUODEOHRSA-N 2 2 273.405 3.308 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048881 372289396 /nfs/dbraw/zinc/28/93/96/372289396.db2.gz SXOMFKACELQZLP-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048881 372289399 /nfs/dbraw/zinc/28/93/99/372289399.db2.gz SXOMFKACELQZLP-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048881 372289400 /nfs/dbraw/zinc/28/94/00/372289400.db2.gz SXOMFKACELQZLP-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048881 372289404 /nfs/dbraw/zinc/28/94/04/372289404.db2.gz SXOMFKACELQZLP-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344298446 217139558 /nfs/dbraw/zinc/13/95/58/217139558.db2.gz DPONXIKVFZZQTF-MAUKXSAKSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344298446 217139562 /nfs/dbraw/zinc/13/95/62/217139562.db2.gz DPONXIKVFZZQTF-MAUKXSAKSA-N 2 2 290.451 3.294 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCCCS3)n2c1 ZINC000344338204 217157572 /nfs/dbraw/zinc/15/75/72/217157572.db2.gz WCGJWMXXXROJAO-CQSZACIVSA-N 2 2 275.421 3.018 20 0 CGADLP CC(C)CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000429053769 372309828 /nfs/dbraw/zinc/30/98/28/372309828.db2.gz GJDFZVZALVWYKI-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)CCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000429053769 372309834 /nfs/dbraw/zinc/30/98/34/372309834.db2.gz GJDFZVZALVWYKI-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2csc3ccccc23)CCC[N@@H+]1C ZINC000344333446 217155761 /nfs/dbraw/zinc/15/57/61/217155761.db2.gz PRHIKOGNTVGSGS-IUODEOHRSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2csc3ccccc23)CCC[N@H+]1C ZINC000344333446 217155763 /nfs/dbraw/zinc/15/57/63/217155763.db2.gz PRHIKOGNTVGSGS-IUODEOHRSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000344357325 217167111 /nfs/dbraw/zinc/16/71/11/217167111.db2.gz NVZFLJLUPOYQKS-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@H+]1C ZINC000344357325 217167112 /nfs/dbraw/zinc/16/71/12/217167112.db2.gz NVZFLJLUPOYQKS-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP CCC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000293615319 372425810 /nfs/dbraw/zinc/42/58/10/372425810.db2.gz HXEBOWDGHZGTGL-KRWDZBQOSA-N 2 2 287.407 3.085 20 0 CGADLP c1ccc(C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000163788642 372491931 /nfs/dbraw/zinc/49/19/31/372491931.db2.gz OZCMMRZLRHFZEQ-GOSISDBHSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000163857864 372495110 /nfs/dbraw/zinc/49/51/10/372495110.db2.gz HLZIVVZFRQRTIZ-ZDUSSCGKSA-N 2 2 259.353 3.136 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]c2ccccc12 ZINC000433401838 372601821 /nfs/dbraw/zinc/60/18/21/372601821.db2.gz UTCDBFHRPULWPL-UHFFFAOYSA-N 2 2 280.375 3.121 20 0 CGADLP CCSCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000167298075 372594694 /nfs/dbraw/zinc/59/46/94/372594694.db2.gz YMJIBQSGRRJFSV-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CCSCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000167298075 372594697 /nfs/dbraw/zinc/59/46/97/372594697.db2.gz YMJIBQSGRRJFSV-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167409708 372596290 /nfs/dbraw/zinc/59/62/90/372596290.db2.gz OMUDYCPMGZAUMQ-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167409708 372596295 /nfs/dbraw/zinc/59/62/95/372596295.db2.gz OMUDYCPMGZAUMQ-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP CC1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000294223543 372619390 /nfs/dbraw/zinc/61/93/90/372619390.db2.gz MAEJSWTUTOQGAR-INIZCTEOSA-N 2 2 285.435 3.134 20 0 CGADLP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000435380526 372755264 /nfs/dbraw/zinc/75/52/64/372755264.db2.gz OPBBIILWNNNKKM-HNNXBMFYSA-N 2 2 298.386 3.021 20 0 CGADLP COc1ccc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000435380526 372755273 /nfs/dbraw/zinc/75/52/73/372755273.db2.gz OPBBIILWNNNKKM-HNNXBMFYSA-N 2 2 298.386 3.021 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2c1 ZINC000435386275 372756121 /nfs/dbraw/zinc/75/61/21/372756121.db2.gz TYSMMHAURCISFT-MLGOLLRUSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2c1 ZINC000435386275 372756127 /nfs/dbraw/zinc/75/61/27/372756127.db2.gz TYSMMHAURCISFT-MLGOLLRUSA-N 2 2 288.391 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295445018 372783564 /nfs/dbraw/zinc/78/35/64/372783564.db2.gz PSDMJNAKGUWTOX-APWZRJJASA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295445018 372783568 /nfs/dbraw/zinc/78/35/68/372783568.db2.gz PSDMJNAKGUWTOX-APWZRJJASA-N 2 2 295.430 3.000 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790832 372809853 /nfs/dbraw/zinc/80/98/53/372809853.db2.gz NYQHPLXBHZYPBW-AYMQEEERSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790832 372809860 /nfs/dbraw/zinc/80/98/60/372809860.db2.gz NYQHPLXBHZYPBW-AYMQEEERSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCCCOc1ccccc1 ZINC000438082076 372872174 /nfs/dbraw/zinc/87/21/74/372872174.db2.gz AOCWZXPFYSLLBH-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353465374 220097411 /nfs/dbraw/zinc/09/74/11/220097411.db2.gz TURNUSWTPLGWMV-OLZOCXBDSA-N 2 2 293.361 3.161 20 0 CGADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000440641935 372990832 /nfs/dbraw/zinc/99/08/32/372990832.db2.gz OXIQELXHVXMPTP-ZIAGYGMSSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000440641935 372990844 /nfs/dbraw/zinc/99/08/44/372990844.db2.gz OXIQELXHVXMPTP-ZIAGYGMSSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780993 217309502 /nfs/dbraw/zinc/30/95/02/217309502.db2.gz ZSNKIHBLRWASCN-UKRRQHHQSA-N 2 2 278.465 3.147 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780993 217309504 /nfs/dbraw/zinc/30/95/04/217309504.db2.gz ZSNKIHBLRWASCN-UKRRQHHQSA-N 2 2 278.465 3.147 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000296149243 373036635 /nfs/dbraw/zinc/03/66/35/373036635.db2.gz VTZJTQILIMZMMW-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000296149243 373036640 /nfs/dbraw/zinc/03/66/40/373036640.db2.gz VTZJTQILIMZMMW-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000296081056 373016756 /nfs/dbraw/zinc/01/67/56/373016756.db2.gz SOSBLSLJYOIISH-HNNXBMFYSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000062077320 541886227 /nfs/dbraw/zinc/88/62/27/541886227.db2.gz YVJJNSREGVWCTG-RYUDHWBXSA-N 2 2 281.469 3.142 20 0 CGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296355644 373102784 /nfs/dbraw/zinc/10/27/84/373102784.db2.gz IMWTWWMBAWXHPG-KGLIPLIRSA-N 2 2 287.407 3.072 20 0 CGADLP COC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000442878090 373114289 /nfs/dbraw/zinc/11/42/89/373114289.db2.gz SETZMVDXZMALLC-KRWDZBQOSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+](C)C ZINC000442724456 373069865 /nfs/dbraw/zinc/06/98/65/373069865.db2.gz ZNOYIJMIFVUWAQ-HUUCEWRRSA-N 2 2 299.462 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000296523380 373164372 /nfs/dbraw/zinc/16/43/72/373164372.db2.gz SCUGQGJGXORMDL-IJEWVQPXSA-N 2 2 284.407 3.182 20 0 CGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc[nH]c2)c(C)c1 ZINC000344884672 217344992 /nfs/dbraw/zinc/34/49/92/217344992.db2.gz KJNCGRMSZSHICD-GOSISDBHSA-N 2 2 294.402 3.359 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000297497687 373272133 /nfs/dbraw/zinc/27/21/33/373272133.db2.gz URUKSFFSGQQOCY-CXAGYDPISA-N 2 2 286.419 3.115 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098313 373249831 /nfs/dbraw/zinc/24/98/31/373249831.db2.gz NQWLSAHQCJSDGG-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098313 373249837 /nfs/dbraw/zinc/24/98/37/373249837.db2.gz NQWLSAHQCJSDGG-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP COc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000297923392 373282912 /nfs/dbraw/zinc/28/29/12/373282912.db2.gz TYNJPVACBUANQW-UHFFFAOYSA-N 2 2 297.402 3.480 20 0 CGADLP COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174557360 373337098 /nfs/dbraw/zinc/33/70/98/373337098.db2.gz CGQRGGIOWBYRRQ-CQSZACIVSA-N 2 2 287.407 3.166 20 0 CGADLP CC(C)C(C[NH2+]Cc1cccc2[nH+]ccn21)C(C)C ZINC000446805844 373365597 /nfs/dbraw/zinc/36/55/97/373365597.db2.gz IKAXIOCUOWZCQY-UHFFFAOYSA-N 2 2 259.397 3.352 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+]CC[NH+]1CCCC1 ZINC000446818450 373367175 /nfs/dbraw/zinc/36/71/75/373367175.db2.gz QXRAWGGGQZVSQY-UHFFFAOYSA-N 2 2 284.806 3.097 20 0 CGADLP Cc1cc(C)cc([C@H](O)C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289683247 197444855 /nfs/dbraw/zinc/44/48/55/197444855.db2.gz MURMZYASOUHCRR-LJQANCHMSA-N 2 2 298.430 3.263 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624126 220197902 /nfs/dbraw/zinc/19/79/02/220197902.db2.gz MRQCBEMVXVFGIK-WMZOPIPTSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624126 220197905 /nfs/dbraw/zinc/19/79/05/220197905.db2.gz MRQCBEMVXVFGIK-WMZOPIPTSA-N 2 2 290.451 3.458 20 0 CGADLP CC[N@H+](CC[NH2+]CCCc1c(F)cccc1Cl)C1CC1 ZINC000447823198 373498882 /nfs/dbraw/zinc/49/88/82/373498882.db2.gz TWAOJJYHAXAEHO-UHFFFAOYSA-N 2 2 298.833 3.486 20 0 CGADLP CC[N@@H+](CC[NH2+]CCCc1c(F)cccc1Cl)C1CC1 ZINC000447823198 373498891 /nfs/dbraw/zinc/49/88/91/373498891.db2.gz TWAOJJYHAXAEHO-UHFFFAOYSA-N 2 2 298.833 3.486 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447945974 373526843 /nfs/dbraw/zinc/52/68/43/373526843.db2.gz SHURKFFEURACFJ-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447945974 373526846 /nfs/dbraw/zinc/52/68/46/373526846.db2.gz SHURKFFEURACFJ-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP Nc1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cc[nH+]1 ZINC000299414402 373534043 /nfs/dbraw/zinc/53/40/43/373534043.db2.gz WHKUZMXAVXHJNA-AWEZNQCLSA-N 2 2 271.364 3.374 20 0 CGADLP Nc1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc[nH+]1 ZINC000299414402 373534049 /nfs/dbraw/zinc/53/40/49/373534049.db2.gz WHKUZMXAVXHJNA-AWEZNQCLSA-N 2 2 271.364 3.374 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448029635 373539006 /nfs/dbraw/zinc/53/90/06/373539006.db2.gz QTKLHRUGXPBDJH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448029635 373539015 /nfs/dbraw/zinc/53/90/15/373539015.db2.gz QTKLHRUGXPBDJH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+](CC[NH2+]C1CC2(CCC2)C1)Cc1ccccc1 ZINC000448059472 373545469 /nfs/dbraw/zinc/54/54/69/373545469.db2.gz BQHSPTLUDPCBSW-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+]C1CC2(CCC2)C1)Cc1ccccc1 ZINC000448059472 373545477 /nfs/dbraw/zinc/54/54/77/373545477.db2.gz BQHSPTLUDPCBSW-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP CC[NH+](CC)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301065406 373646808 /nfs/dbraw/zinc/64/68/08/373646808.db2.gz BVOAXYJEVABQRR-ZDUSSCGKSA-N 2 2 264.417 3.051 20 0 CGADLP COc1ccc(C)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353647124 220221946 /nfs/dbraw/zinc/22/19/46/220221946.db2.gz GGOMGLQIMDTSOC-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353647124 220221950 /nfs/dbraw/zinc/22/19/50/220221950.db2.gz GGOMGLQIMDTSOC-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353647124 220221953 /nfs/dbraw/zinc/22/19/53/220221953.db2.gz GGOMGLQIMDTSOC-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000353647124 220221957 /nfs/dbraw/zinc/22/19/57/220221957.db2.gz GGOMGLQIMDTSOC-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CC/C=C/C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449456631 373740773 /nfs/dbraw/zinc/74/07/73/373740773.db2.gz MQDCBNBAWOHZHQ-GRNKITJOSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C/C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449456631 373740782 /nfs/dbraw/zinc/74/07/82/373740782.db2.gz MQDCBNBAWOHZHQ-GRNKITJOSA-N 2 2 258.409 3.378 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)c[nH+]c12 ZINC000449479834 373767157 /nfs/dbraw/zinc/76/71/57/373767157.db2.gz WJJGCVKOVYQLFK-OAHLLOKOSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353668422 220239098 /nfs/dbraw/zinc/23/90/98/220239098.db2.gz FVDLXUNSOIWBKF-MRXNPFEDSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000353668422 220239101 /nfs/dbraw/zinc/23/91/01/220239101.db2.gz FVDLXUNSOIWBKF-MRXNPFEDSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000353668422 220239104 /nfs/dbraw/zinc/23/91/04/220239104.db2.gz FVDLXUNSOIWBKF-MRXNPFEDSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000353668422 220239110 /nfs/dbraw/zinc/23/91/10/220239110.db2.gz FVDLXUNSOIWBKF-MRXNPFEDSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1cccc(NC[C@@H]2CCCC[N@H+]2CC(C)C)[nH+]1 ZINC000302235225 373839751 /nfs/dbraw/zinc/83/97/51/373839751.db2.gz HXJYRAIRGZJZIA-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1cccc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)[nH+]1 ZINC000302235225 373839757 /nfs/dbraw/zinc/83/97/57/373839757.db2.gz HXJYRAIRGZJZIA-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccoc3)CC2)C1 ZINC000178475447 373782909 /nfs/dbraw/zinc/78/29/09/373782909.db2.gz FOWBBPZCUBGKCH-PBHICJAKSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccoc1 ZINC000178552712 373791208 /nfs/dbraw/zinc/79/12/08/373791208.db2.gz YXZWWDYPADYMPG-ZDUSSCGKSA-N 2 2 259.353 3.218 20 0 CGADLP CCO[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000449503244 373800777 /nfs/dbraw/zinc/80/07/77/373800777.db2.gz PJMDVQYJTMCJGO-WMLDXEAASA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000449503244 373800784 /nfs/dbraw/zinc/80/07/84/373800784.db2.gz PJMDVQYJTMCJGO-WMLDXEAASA-N 2 2 276.424 3.070 20 0 CGADLP CC[N@@H+]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302597491 373902247 /nfs/dbraw/zinc/90/22/47/373902247.db2.gz BNPMMWGPWGFTPX-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP CC[N@H+]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302597491 373902254 /nfs/dbraw/zinc/90/22/54/373902254.db2.gz BNPMMWGPWGFTPX-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000179804737 373920298 /nfs/dbraw/zinc/92/02/98/373920298.db2.gz ZDXITQXUYZENOH-XJKSGUPXSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000179804737 373920308 /nfs/dbraw/zinc/92/03/08/373920308.db2.gz ZDXITQXUYZENOH-XJKSGUPXSA-N 2 2 282.378 3.490 20 0 CGADLP CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180276657 373986647 /nfs/dbraw/zinc/98/66/47/373986647.db2.gz ICHOSYAQAVJSHP-HNNXBMFYSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180276657 373986651 /nfs/dbraw/zinc/98/66/51/373986651.db2.gz ICHOSYAQAVJSHP-HNNXBMFYSA-N 2 2 257.381 3.345 20 0 CGADLP CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668126 374032368 /nfs/dbraw/zinc/03/23/68/374032368.db2.gz XRCJDEXRCOJDCB-ZFWWWQNUSA-N 2 2 289.448 3.440 20 0 CGADLP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668126 374032373 /nfs/dbraw/zinc/03/23/73/374032373.db2.gz XRCJDEXRCOJDCB-ZFWWWQNUSA-N 2 2 289.448 3.440 20 0 CGADLP CCC1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450271470 374033935 /nfs/dbraw/zinc/03/39/35/374033935.db2.gz YNUICAREMIGLNA-INIZCTEOSA-N 2 2 252.446 3.371 20 0 CGADLP CCC1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450271470 374033942 /nfs/dbraw/zinc/03/39/42/374033942.db2.gz YNUICAREMIGLNA-INIZCTEOSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000450465076 374148468 /nfs/dbraw/zinc/14/84/68/374148468.db2.gz DBKRTGIUXYTPJW-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@H+]1C ZINC000450465076 374148470 /nfs/dbraw/zinc/14/84/70/374148470.db2.gz DBKRTGIUXYTPJW-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465076 374148472 /nfs/dbraw/zinc/14/84/72/374148472.db2.gz DBKRTGIUXYTPJW-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465076 374148473 /nfs/dbraw/zinc/14/84/73/374148473.db2.gz DBKRTGIUXYTPJW-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000313851769 374309393 /nfs/dbraw/zinc/30/93/93/374309393.db2.gz GJFHICWDDVCRTF-AXVPCFCXSA-N 2 2 278.399 3.127 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000313851769 374309399 /nfs/dbraw/zinc/30/93/99/374309399.db2.gz GJFHICWDDVCRTF-AXVPCFCXSA-N 2 2 278.399 3.127 20 0 CGADLP C[C@@H]([NH2+]CCc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000314721834 374321968 /nfs/dbraw/zinc/32/19/68/374321968.db2.gz UTBQMUCHAXPRNU-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000316700415 374335893 /nfs/dbraw/zinc/33/58/93/374335893.db2.gz BWPSWVCYQAQEKX-VYDXJSESSA-N 3 2 298.434 3.006 20 0 CGADLP CC(C)Oc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000317087932 374338752 /nfs/dbraw/zinc/33/87/52/374338752.db2.gz LEAWSNJCOAPNBB-SJORKVTESA-N 2 2 297.402 3.103 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2sccc21 ZINC000453066144 374363351 /nfs/dbraw/zinc/36/33/51/374363351.db2.gz IEQQAVIJVSHYDX-BZPMIXESSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2sccc21 ZINC000453066144 374363364 /nfs/dbraw/zinc/36/33/64/374363364.db2.gz IEQQAVIJVSHYDX-BZPMIXESSA-N 2 2 264.438 3.370 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453071898 374363485 /nfs/dbraw/zinc/36/34/85/374363485.db2.gz MTKFVPYNMQTPTL-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145138 374367300 /nfs/dbraw/zinc/36/73/00/374367300.db2.gz RNNFTPGCBCEWDX-IFXJQAMLSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145138 374367310 /nfs/dbraw/zinc/36/73/10/374367310.db2.gz RNNFTPGCBCEWDX-IFXJQAMLSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334902 374428203 /nfs/dbraw/zinc/42/82/03/374428203.db2.gz XLBCTTHMQWNDME-VFVAKGGASA-N 2 2 296.817 3.470 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334902 374428209 /nfs/dbraw/zinc/42/82/09/374428209.db2.gz XLBCTTHMQWNDME-VFVAKGGASA-N 2 2 296.817 3.470 20 0 CGADLP COC(C)(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187749 541958191 /nfs/dbraw/zinc/95/81/91/541958191.db2.gz CUBYTCKEWYWKSN-MRXNPFEDSA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187749 541958193 /nfs/dbraw/zinc/95/81/93/541958193.db2.gz CUBYTCKEWYWKSN-MRXNPFEDSA-N 2 2 290.451 3.054 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c(C)c2)c1C ZINC000185961982 374775280 /nfs/dbraw/zinc/77/52/80/374775280.db2.gz YMUSDIVMVPYERX-UHFFFAOYSA-N 2 2 271.364 3.047 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2=CCCCCC2)C[N@@H+]1C1CC1 ZINC000463698258 374847245 /nfs/dbraw/zinc/84/72/45/374847245.db2.gz LMCBVCXFHJPRAH-HOCLYGCPSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2=CCCCCC2)C[N@H+]1C1CC1 ZINC000463698258 374847246 /nfs/dbraw/zinc/84/72/46/374847246.db2.gz LMCBVCXFHJPRAH-HOCLYGCPSA-N 2 2 262.441 3.482 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000186888152 374933087 /nfs/dbraw/zinc/93/30/87/374933087.db2.gz OBDZVNHXRJGMLC-UHFFFAOYSA-N 2 2 281.762 3.201 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000334646487 374938616 /nfs/dbraw/zinc/93/86/16/374938616.db2.gz YCBDFYOIGTXRHQ-JTQLQIEISA-N 2 2 296.201 3.364 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000334646487 374938620 /nfs/dbraw/zinc/93/86/20/374938620.db2.gz YCBDFYOIGTXRHQ-JTQLQIEISA-N 2 2 296.201 3.364 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000334686420 374974918 /nfs/dbraw/zinc/97/49/18/374974918.db2.gz MLVUJRXWNDYXGR-DZGCQCFKSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000334686420 374974926 /nfs/dbraw/zinc/97/49/26/374974926.db2.gz MLVUJRXWNDYXGR-DZGCQCFKSA-N 2 2 269.392 3.235 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000334732523 375014871 /nfs/dbraw/zinc/01/48/71/375014871.db2.gz HXEIUHLXZZCMNJ-UHFFFAOYSA-N 2 2 287.432 3.196 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCSC2(CCC2)CC1 ZINC000334732523 375014875 /nfs/dbraw/zinc/01/48/75/375014875.db2.gz HXEIUHLXZZCMNJ-UHFFFAOYSA-N 2 2 287.432 3.196 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)c1 ZINC000335052109 375092786 /nfs/dbraw/zinc/09/27/86/375092786.db2.gz DAZLANLIAGLETP-MOPGFXCFSA-N 2 2 293.414 3.075 20 0 CGADLP c1cncc(-c2cccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)c1 ZINC000335052109 375092789 /nfs/dbraw/zinc/09/27/89/375092789.db2.gz DAZLANLIAGLETP-MOPGFXCFSA-N 2 2 293.414 3.075 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2c1C ZINC000473115393 375043549 /nfs/dbraw/zinc/04/35/49/375043549.db2.gz ANGMVSYAPQDMEI-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2c1C ZINC000473115393 375043553 /nfs/dbraw/zinc/04/35/53/375043553.db2.gz ANGMVSYAPQDMEI-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2c1C ZINC000473115393 375043557 /nfs/dbraw/zinc/04/35/57/375043557.db2.gz ANGMVSYAPQDMEI-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2c1C ZINC000473115393 375043562 /nfs/dbraw/zinc/04/35/62/375043562.db2.gz ANGMVSYAPQDMEI-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000474724135 375127036 /nfs/dbraw/zinc/12/70/36/375127036.db2.gz ASKZRHISWYVWHA-OFQRWUPVSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000474724135 375127039 /nfs/dbraw/zinc/12/70/39/375127039.db2.gz ASKZRHISWYVWHA-OFQRWUPVSA-N 2 2 264.457 3.418 20 0 CGADLP C(=C\c1ccncc1)\C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000487279331 375218393 /nfs/dbraw/zinc/21/83/93/375218393.db2.gz NZATWRDLQOBLGO-RQOWECAXSA-N 2 2 290.370 3.070 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000189078317 375320076 /nfs/dbraw/zinc/32/00/76/375320076.db2.gz DDKIUAMOUIZSAN-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000189078317 375320081 /nfs/dbraw/zinc/32/00/81/375320081.db2.gz DDKIUAMOUIZSAN-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189078317 375320087 /nfs/dbraw/zinc/32/00/87/375320087.db2.gz DDKIUAMOUIZSAN-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189078317 375320091 /nfs/dbraw/zinc/32/00/91/375320091.db2.gz DDKIUAMOUIZSAN-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000491007338 375323308 /nfs/dbraw/zinc/32/33/08/375323308.db2.gz OAKWCHXMYGBPLN-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000491007338 375323314 /nfs/dbraw/zinc/32/33/14/375323314.db2.gz OAKWCHXMYGBPLN-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000097928410 541994927 /nfs/dbraw/zinc/99/49/27/541994927.db2.gz OGAYQVPLNCIHHN-NWDGAFQWSA-N 2 2 278.362 3.181 20 0 CGADLP CCOC1CC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000188790389 375270129 /nfs/dbraw/zinc/27/01/29/375270129.db2.gz KXGAJLOWHHHYAF-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)[nH+]1 ZINC000335753388 375400892 /nfs/dbraw/zinc/40/08/92/375400892.db2.gz GIZJVJHXZFLFBN-OAHLLOKOSA-N 2 2 289.423 3.081 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000190206896 375485017 /nfs/dbraw/zinc/48/50/17/375485017.db2.gz SWDSABWOWQZXPS-GFCCVEGCSA-N 2 2 289.345 3.184 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000190206896 375485022 /nfs/dbraw/zinc/48/50/22/375485022.db2.gz SWDSABWOWQZXPS-GFCCVEGCSA-N 2 2 289.345 3.184 20 0 CGADLP Cc1cc[nH+]c(NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000191515232 375637339 /nfs/dbraw/zinc/63/73/39/375637339.db2.gz BJHFLCWNFYXWGT-UHFFFAOYSA-N 2 2 270.380 3.242 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)Cc1ccccc1 ZINC000502274890 375643720 /nfs/dbraw/zinc/64/37/20/375643720.db2.gz OKEBTWYGVQVRJJ-HCXYKTFWSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@@H+]1CCC[C@@H](C)C1 ZINC000502273598 375643732 /nfs/dbraw/zinc/64/37/32/375643732.db2.gz LKHKBVDSDSPDQR-HHARLNAUSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@H+]1CCC[C@@H](C)C1 ZINC000502273598 375643736 /nfs/dbraw/zinc/64/37/36/375643736.db2.gz LKHKBVDSDSPDQR-HHARLNAUSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000122064978 542023018 /nfs/dbraw/zinc/02/30/18/542023018.db2.gz GMQOJWVQKYPSCW-PBHICJAKSA-N 2 2 256.393 3.130 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000122064978 542023021 /nfs/dbraw/zinc/02/30/21/542023021.db2.gz GMQOJWVQKYPSCW-PBHICJAKSA-N 2 2 256.393 3.130 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142810 375721207 /nfs/dbraw/zinc/72/12/07/375721207.db2.gz IFSTVSIFHHFPJP-HNNXBMFYSA-N 2 2 273.424 3.199 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142810 375721214 /nfs/dbraw/zinc/72/12/14/375721214.db2.gz IFSTVSIFHHFPJP-HNNXBMFYSA-N 2 2 273.424 3.199 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000192148011 375702696 /nfs/dbraw/zinc/70/26/96/375702696.db2.gz GRKVYQYBEPMIJJ-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCO1 ZINC000192179382 375708075 /nfs/dbraw/zinc/70/80/75/375708075.db2.gz QVJWIVKCIWUHNE-ROUUACIJSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000192566377 375766364 /nfs/dbraw/zinc/76/63/64/375766364.db2.gz IGZMGKUDHMYBDN-HLLBOEOZSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000192942543 375807463 /nfs/dbraw/zinc/80/74/63/375807463.db2.gz HDPVWWCDRFKQFK-QWQRMKEZSA-N 2 2 285.435 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000192942543 375807466 /nfs/dbraw/zinc/80/74/66/375807466.db2.gz HDPVWWCDRFKQFK-QWQRMKEZSA-N 2 2 285.435 3.148 20 0 CGADLP COC[C@@H](Cc1ccccc1)[N@H+](C)CCc1cc[nH+]cc1C ZINC000519601138 375849208 /nfs/dbraw/zinc/84/92/08/375849208.db2.gz VBYBIHAGDWCTEI-LJQANCHMSA-N 2 2 298.430 3.122 20 0 CGADLP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000519601138 375849218 /nfs/dbraw/zinc/84/92/18/375849218.db2.gz VBYBIHAGDWCTEI-LJQANCHMSA-N 2 2 298.430 3.122 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000131168889 542068830 /nfs/dbraw/zinc/06/88/30/542068830.db2.gz MNLICSBGVQHIMA-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000193663351 375904476 /nfs/dbraw/zinc/90/44/76/375904476.db2.gz ONRUTSNNMMYPFT-MRXNPFEDSA-N 2 2 298.858 3.349 20 0 CGADLP CCSCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000336699376 375908692 /nfs/dbraw/zinc/90/86/92/375908692.db2.gz CUFVXZZQWRHDDK-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CCSCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000336699376 375908703 /nfs/dbraw/zinc/90/87/03/375908703.db2.gz CUFVXZZQWRHDDK-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534972434 376009849 /nfs/dbraw/zinc/00/98/49/376009849.db2.gz PHONNHDRSOUDTO-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534972434 376009853 /nfs/dbraw/zinc/00/98/53/376009853.db2.gz PHONNHDRSOUDTO-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996978 376009977 /nfs/dbraw/zinc/00/99/77/376009977.db2.gz YVUYDPIYKKXRAD-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996978 376009981 /nfs/dbraw/zinc/00/99/81/376009981.db2.gz YVUYDPIYKKXRAD-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000336854036 376013184 /nfs/dbraw/zinc/01/31/84/376013184.db2.gz LMMAYVOGDKYCEN-AYBZRNKSSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000336854036 376013189 /nfs/dbraw/zinc/01/31/89/376013189.db2.gz LMMAYVOGDKYCEN-AYBZRNKSSA-N 2 2 295.430 3.243 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536557204 376096187 /nfs/dbraw/zinc/09/61/87/376096187.db2.gz XMQJFYGFNAZXGN-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536557204 376096197 /nfs/dbraw/zinc/09/61/97/376096197.db2.gz XMQJFYGFNAZXGN-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(F)c1 ZINC000337282318 376188706 /nfs/dbraw/zinc/18/87/06/376188706.db2.gz XERWOSBUUSFAIF-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(F)c1 ZINC000337282318 376188709 /nfs/dbraw/zinc/18/87/09/376188709.db2.gz XERWOSBUUSFAIF-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536690920 376124200 /nfs/dbraw/zinc/12/42/00/376124200.db2.gz GWPLVZIGACNIBL-VFPIZLKKSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536690920 376124208 /nfs/dbraw/zinc/12/42/08/376124208.db2.gz GWPLVZIGACNIBL-VFPIZLKKSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000221808876 376220831 /nfs/dbraw/zinc/22/08/31/376220831.db2.gz FWWDYKMQSFMHMC-UHFFFAOYSA-N 2 2 282.378 3.175 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337501624 376226186 /nfs/dbraw/zinc/22/61/86/376226186.db2.gz BQBWRXILILRCPO-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337501624 376226192 /nfs/dbraw/zinc/22/61/92/376226192.db2.gz BQBWRXILILRCPO-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538264065 376228063 /nfs/dbraw/zinc/22/80/63/376228063.db2.gz AWYJBFKVYPFGDR-TZMCWYRMSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538264065 376228067 /nfs/dbraw/zinc/22/80/67/376228067.db2.gz AWYJBFKVYPFGDR-TZMCWYRMSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000338002200 376253035 /nfs/dbraw/zinc/25/30/35/376253035.db2.gz UTMFAZCJCHSBIE-STQMWFEESA-N 2 2 293.361 3.161 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000538969859 376282960 /nfs/dbraw/zinc/28/29/60/376282960.db2.gz AMUUXWLBDIGKMA-DOTOQJQBSA-N 2 2 260.425 3.459 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224974008 376290055 /nfs/dbraw/zinc/29/00/55/376290055.db2.gz CSXRMLCEBKAJFO-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000224974008 376290060 /nfs/dbraw/zinc/29/00/60/376290060.db2.gz CSXRMLCEBKAJFO-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP CC[N@H+](CC[NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000225130840 376294914 /nfs/dbraw/zinc/29/49/14/376294914.db2.gz JAHLUIWRCZTFTO-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](CC[NH2+]CC[C@H](C)c1ccccc1)C1CC1 ZINC000225130840 376294920 /nfs/dbraw/zinc/29/49/20/376294920.db2.gz JAHLUIWRCZTFTO-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000228411428 376436363 /nfs/dbraw/zinc/43/63/63/376436363.db2.gz QKOIFUJBTKOFAJ-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228408941 376436974 /nfs/dbraw/zinc/43/69/74/376436974.db2.gz XBXRROOFJDFPTA-UHFFFAOYSA-N 2 2 290.304 3.076 20 0 CGADLP C[C@H](Cc1ccsc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000542151934 376510977 /nfs/dbraw/zinc/51/09/77/376510977.db2.gz XWINZBCSDSXSKD-GFCCVEGCSA-N 2 2 275.421 3.282 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000542162905 376512850 /nfs/dbraw/zinc/51/28/50/376512850.db2.gz ORRCUHJLMXWNOD-SOUVJXGZSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000542162905 376512857 /nfs/dbraw/zinc/51/28/57/376512857.db2.gz ORRCUHJLMXWNOD-SOUVJXGZSA-N 2 2 250.430 3.336 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230408013 376512778 /nfs/dbraw/zinc/51/27/78/376512778.db2.gz YNBWWNWYJYJBLC-HOCLYGCPSA-N 2 2 269.392 3.398 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000230408345 376513219 /nfs/dbraw/zinc/51/32/19/376513219.db2.gz YLPWXAKDLZNLMM-LSDHHAIUSA-N 2 2 273.424 3.076 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000231456301 376558225 /nfs/dbraw/zinc/55/82/25/376558225.db2.gz CEJATKWZJOTMKB-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]CC1 ZINC000231456301 376558232 /nfs/dbraw/zinc/55/82/32/376558232.db2.gz CEJATKWZJOTMKB-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000230769128 376540886 /nfs/dbraw/zinc/54/08/86/376540886.db2.gz MLWHMXYXRFMFAZ-JYJNAYRXSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCCCCC1 ZINC000542472719 376544673 /nfs/dbraw/zinc/54/46/73/376544673.db2.gz AFVNXXHOSQFDEB-ZBFHGGJFSA-N 2 2 284.513 3.372 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1C(C)C ZINC000339066747 376658802 /nfs/dbraw/zinc/65/88/02/376658802.db2.gz FBOLZQUDDWEWGG-KGLIPLIRSA-N 2 2 293.480 3.291 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1C(C)C ZINC000339066747 376658806 /nfs/dbraw/zinc/65/88/06/376658806.db2.gz FBOLZQUDDWEWGG-KGLIPLIRSA-N 2 2 293.480 3.291 20 0 CGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236745062 376689265 /nfs/dbraw/zinc/68/92/65/376689265.db2.gz ZMIAEONMWLJUAS-INIZCTEOSA-N 2 2 299.374 3.186 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2OC)CC1 ZINC000264619023 190123586 /nfs/dbraw/zinc/12/35/86/190123586.db2.gz MWQGTZKQXXQFTE-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2OC)CC1 ZINC000264619023 190123587 /nfs/dbraw/zinc/12/35/87/190123587.db2.gz MWQGTZKQXXQFTE-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccsc1C)CCC2 ZINC000339288874 376743873 /nfs/dbraw/zinc/74/38/73/376743873.db2.gz YYNOWHZOQBHBCV-AWEZNQCLSA-N 2 2 275.421 3.229 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(C)C ZINC000339657527 376790947 /nfs/dbraw/zinc/79/09/47/376790947.db2.gz FQGBJTGELVTEQW-OAHLLOKOSA-N 2 2 271.408 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(C)C ZINC000339657527 376790952 /nfs/dbraw/zinc/79/09/52/376790952.db2.gz FQGBJTGELVTEQW-OAHLLOKOSA-N 2 2 271.408 3.465 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157637788 542135850 /nfs/dbraw/zinc/13/58/50/542135850.db2.gz RCWGVSAILCWJKE-YJBOKZPZSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157637788 542135852 /nfs/dbraw/zinc/13/58/52/542135852.db2.gz RCWGVSAILCWJKE-YJBOKZPZSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157637668 542136069 /nfs/dbraw/zinc/13/60/69/542136069.db2.gz RCWGVSAILCWJKE-CRAIPNDOSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157637668 542136074 /nfs/dbraw/zinc/13/60/74/542136074.db2.gz RCWGVSAILCWJKE-CRAIPNDOSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)C3CCCC3)[nH+]c12 ZINC000156344071 542128180 /nfs/dbraw/zinc/12/81/80/542128180.db2.gz XOFYLQICNWSRSV-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1[NH3+] ZINC000157093712 542132124 /nfs/dbraw/zinc/13/21/24/542132124.db2.gz HWNOHYHQYSXEBB-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1[NH3+] ZINC000157093712 542132128 /nfs/dbraw/zinc/13/21/28/542132128.db2.gz HWNOHYHQYSXEBB-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445676 376819340 /nfs/dbraw/zinc/81/93/40/376819340.db2.gz ZCRHULPNDARQOY-WFASDCNBSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445676 376819347 /nfs/dbraw/zinc/81/93/47/376819347.db2.gz ZCRHULPNDARQOY-WFASDCNBSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445676 376819356 /nfs/dbraw/zinc/81/93/56/376819356.db2.gz ZCRHULPNDARQOY-WFASDCNBSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445676 376819359 /nfs/dbraw/zinc/81/93/59/376819359.db2.gz ZCRHULPNDARQOY-WFASDCNBSA-N 2 2 282.378 3.127 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@H]2C(C)C)cc1 ZINC000556879614 376898521 /nfs/dbraw/zinc/89/85/21/376898521.db2.gz FYEZWKIRLOPTEH-BZSNNMDCSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896160 376902169 /nfs/dbraw/zinc/90/21/69/376902169.db2.gz TYSPPPOTOCNGLY-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896160 376902173 /nfs/dbraw/zinc/90/21/73/376902173.db2.gz TYSPPPOTOCNGLY-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896160 376902176 /nfs/dbraw/zinc/90/21/76/376902176.db2.gz TYSPPPOTOCNGLY-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896160 376902179 /nfs/dbraw/zinc/90/21/79/376902179.db2.gz TYSPPPOTOCNGLY-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000245653393 376874166 /nfs/dbraw/zinc/87/41/66/376874166.db2.gz ICWRFGODYKROGR-IJEWVQPXSA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000245653393 376874171 /nfs/dbraw/zinc/87/41/71/376874171.db2.gz ICWRFGODYKROGR-IJEWVQPXSA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245692517 376882381 /nfs/dbraw/zinc/88/23/81/376882381.db2.gz AVAFGUCUAZSNQK-OWCLPIDISA-N 2 2 259.397 3.122 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245692517 376882393 /nfs/dbraw/zinc/88/23/93/376882393.db2.gz AVAFGUCUAZSNQK-OWCLPIDISA-N 2 2 259.397 3.122 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245895524 376927217 /nfs/dbraw/zinc/92/72/17/376927217.db2.gz CYQXAZWHPMGLCS-XJKSGUPXSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245895524 376927223 /nfs/dbraw/zinc/92/72/23/376927223.db2.gz CYQXAZWHPMGLCS-XJKSGUPXSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245895524 376927228 /nfs/dbraw/zinc/92/72/28/376927228.db2.gz CYQXAZWHPMGLCS-XJKSGUPXSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245895524 376927234 /nfs/dbraw/zinc/92/72/34/376927234.db2.gz CYQXAZWHPMGLCS-XJKSGUPXSA-N 2 2 264.388 3.049 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278140 376928568 /nfs/dbraw/zinc/92/85/68/376928568.db2.gz YGRWMRXFKFNGGC-DZGCQCFKSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278140 376928573 /nfs/dbraw/zinc/92/85/73/376928573.db2.gz YGRWMRXFKFNGGC-DZGCQCFKSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@]1(C)CCCO1 ZINC000340206984 376948669 /nfs/dbraw/zinc/94/86/69/376948669.db2.gz QZFXCVJXDYRMLS-DYVFJYSZSA-N 2 2 287.407 3.043 20 0 CGADLP CC1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000558622658 377027842 /nfs/dbraw/zinc/02/78/42/377027842.db2.gz HNUNBTCIUWFYDF-AWEZNQCLSA-N 2 2 273.424 3.199 20 0 CGADLP CC1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000558622658 377027850 /nfs/dbraw/zinc/02/78/50/377027850.db2.gz HNUNBTCIUWFYDF-AWEZNQCLSA-N 2 2 273.424 3.199 20 0 CGADLP CC1(C)OCC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000340380699 377028569 /nfs/dbraw/zinc/02/85/69/377028569.db2.gz RBAAZZZBMLFDBA-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000558698959 377034733 /nfs/dbraw/zinc/03/47/33/377034733.db2.gz OEGHFIBFVOFJKX-CABCVRRESA-N 2 2 267.392 3.171 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699563 377035606 /nfs/dbraw/zinc/03/56/06/377035606.db2.gz XFNTULCCONORJN-MANSERQUSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699563 377035614 /nfs/dbraw/zinc/03/56/14/377035614.db2.gz XFNTULCCONORJN-MANSERQUSA-N 2 2 284.447 3.429 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000558260831 376992922 /nfs/dbraw/zinc/99/29/22/376992922.db2.gz XUWILDQKKRRULL-IEBWSBKVSA-N 2 2 299.462 3.347 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449616 377064916 /nfs/dbraw/zinc/06/49/16/377064916.db2.gz MBXQRATXVQGSLT-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449616 377064924 /nfs/dbraw/zinc/06/49/24/377064924.db2.gz MBXQRATXVQGSLT-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340468129 377078809 /nfs/dbraw/zinc/07/88/09/377078809.db2.gz JMUAIKZNCBUIFG-QWHCGFSZSA-N 2 2 261.344 3.271 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000340492948 377099953 /nfs/dbraw/zinc/09/99/53/377099953.db2.gz XILACDVQHZWQRQ-RLCCDNCMSA-N 2 2 298.352 3.066 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000340492948 377099960 /nfs/dbraw/zinc/09/99/60/377099960.db2.gz XILACDVQHZWQRQ-RLCCDNCMSA-N 2 2 298.352 3.066 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000559899047 377106117 /nfs/dbraw/zinc/10/61/17/377106117.db2.gz FITQQNADCMOHNO-GJZGRUSLSA-N 2 2 250.430 3.195 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000559899047 377106122 /nfs/dbraw/zinc/10/61/22/377106122.db2.gz FITQQNADCMOHNO-GJZGRUSLSA-N 2 2 250.430 3.195 20 0 CGADLP CCC1CC([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000560245713 377133490 /nfs/dbraw/zinc/13/34/90/377133490.db2.gz IEJJOWZOJNXMCM-BDVYOWHSSA-N 2 2 260.425 3.376 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000247052472 377150815 /nfs/dbraw/zinc/15/08/15/377150815.db2.gz NHQTZMDNIAYTDC-SQNIBIBYSA-N 3 2 297.531 3.063 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000247052472 377150819 /nfs/dbraw/zinc/15/08/19/377150819.db2.gz NHQTZMDNIAYTDC-SQNIBIBYSA-N 3 2 297.531 3.063 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000560514013 377161884 /nfs/dbraw/zinc/16/18/84/377161884.db2.gz QPMXPSCADRUJOR-FGTMMUONSA-N 2 2 292.442 3.277 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000560518599 377163084 /nfs/dbraw/zinc/16/30/84/377163084.db2.gz GXAOAYDFHSWRDT-SJCJKPOMSA-N 2 2 296.405 3.216 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247124739 377164736 /nfs/dbraw/zinc/16/47/36/377164736.db2.gz PXSLZPGXZUVRQP-BLLLJJGKSA-N 2 2 282.378 3.299 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247124739 377164741 /nfs/dbraw/zinc/16/47/41/377164741.db2.gz PXSLZPGXZUVRQP-BLLLJJGKSA-N 2 2 282.378 3.299 20 0 CGADLP CC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340691618 377220362 /nfs/dbraw/zinc/22/03/62/377220362.db2.gz GLHWIOZQFALFGM-HNNXBMFYSA-N 2 2 255.365 3.247 20 0 CGADLP CC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340691618 377220371 /nfs/dbraw/zinc/22/03/71/377220371.db2.gz GLHWIOZQFALFGM-HNNXBMFYSA-N 2 2 255.365 3.247 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135418 377270231 /nfs/dbraw/zinc/27/02/31/377270231.db2.gz OZZPMIMWXRIPFB-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135418 377270245 /nfs/dbraw/zinc/27/02/45/377270245.db2.gz OZZPMIMWXRIPFB-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135418 377270251 /nfs/dbraw/zinc/27/02/51/377270251.db2.gz OZZPMIMWXRIPFB-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135418 377270256 /nfs/dbraw/zinc/27/02/56/377270256.db2.gz OZZPMIMWXRIPFB-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000562443598 377309565 /nfs/dbraw/zinc/30/95/65/377309565.db2.gz KLQTUBBHLPXBQH-BHYGNILZSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000562443598 377309576 /nfs/dbraw/zinc/30/95/76/377309576.db2.gz KLQTUBBHLPXBQH-BHYGNILZSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000562443598 377309582 /nfs/dbraw/zinc/30/95/82/377309582.db2.gz KLQTUBBHLPXBQH-BHYGNILZSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000562443598 377309589 /nfs/dbraw/zinc/30/95/89/377309589.db2.gz KLQTUBBHLPXBQH-BHYGNILZSA-N 2 2 258.409 3.225 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000562962878 377381115 /nfs/dbraw/zinc/38/11/15/377381115.db2.gz XHFULXSEKBENKL-KBXCAEBGSA-N 2 2 286.419 3.453 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248559236 377348085 /nfs/dbraw/zinc/34/80/85/377348085.db2.gz IZOKZEPDWSCUKL-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248559236 377348093 /nfs/dbraw/zinc/34/80/93/377348093.db2.gz IZOKZEPDWSCUKL-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP CSc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563349978 377445015 /nfs/dbraw/zinc/44/50/15/377445015.db2.gz KBHDCXPOCFJJIY-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563349978 377445027 /nfs/dbraw/zinc/44/50/27/377445027.db2.gz KBHDCXPOCFJJIY-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCCC1 ZINC000563422153 377461579 /nfs/dbraw/zinc/46/15/79/377461579.db2.gz YAIHUZUZTYPUDB-OAHLLOKOSA-N 2 2 293.480 3.408 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)CC2 ZINC000092836207 249036183 /nfs/dbraw/zinc/03/61/83/249036183.db2.gz SOOIWKBUZMROQL-QAPCUYQASA-N 2 2 290.451 3.248 20 0 CGADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1F ZINC000165785948 542173044 /nfs/dbraw/zinc/17/30/44/542173044.db2.gz WSBCTKJNSLJZLK-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP COc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1F ZINC000165785948 542173048 /nfs/dbraw/zinc/17/30/48/542173048.db2.gz WSBCTKJNSLJZLK-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC(C)(C)c3ccccc32)c1 ZINC000313261412 249089972 /nfs/dbraw/zinc/08/99/72/249089972.db2.gz AJPMPRSCINXPGM-KRWDZBQOSA-N 2 2 283.419 3.365 20 0 CGADLP c1c(C[NH2+]C2CC[NH+](C3CC3)CC2)noc1-c1ccccc1 ZINC000459400524 249149542 /nfs/dbraw/zinc/14/95/42/249149542.db2.gz MLBSEHLTRPSJGS-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2ccccc2C)n1C ZINC000514872608 249192804 /nfs/dbraw/zinc/19/28/04/249192804.db2.gz FSLJAGPBEXRJBC-UHFFFAOYSA-N 2 2 271.408 3.104 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000516759668 249243283 /nfs/dbraw/zinc/24/32/83/249243283.db2.gz WHZJDNNMVYFFDQ-GFCCVEGCSA-N 2 2 281.469 3.061 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265448227 190182751 /nfs/dbraw/zinc/18/27/51/190182751.db2.gz BMLOLDLFHYXEKX-LBPRGKRZSA-N 2 2 273.355 3.489 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3nc4ccccc4s3)CC2)[nH]1 ZINC000265463432 190184068 /nfs/dbraw/zinc/18/40/68/190184068.db2.gz GFKLKKFMHZMRPL-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038340 249255541 /nfs/dbraw/zinc/25/55/41/249255541.db2.gz XTEZYHFSYXBFHG-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038340 249255543 /nfs/dbraw/zinc/25/55/43/249255543.db2.gz XTEZYHFSYXBFHG-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000573911868 377592990 /nfs/dbraw/zinc/59/29/90/377592990.db2.gz XHSQHXCGNCFXOQ-YCPHGPKFSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000179960930 542204568 /nfs/dbraw/zinc/20/45/68/542204568.db2.gz DKFHXKQLGVKQHK-RDTXWAMCSA-N 2 2 298.434 3.206 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672972 377647567 /nfs/dbraw/zinc/64/75/67/377647567.db2.gz FTTCMUVPRALRSZ-NEPJUHHUSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672972 377647575 /nfs/dbraw/zinc/64/75/75/377647575.db2.gz FTTCMUVPRALRSZ-NEPJUHHUSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000252970246 377671229 /nfs/dbraw/zinc/67/12/29/377671229.db2.gz WVZXQEOMYCYJOE-OAUYIBNBSA-N 2 2 254.377 3.085 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252818518 377667374 /nfs/dbraw/zinc/66/73/74/377667374.db2.gz ZPZRVMAVLYHNGA-ARILJUKYSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252818518 377667384 /nfs/dbraw/zinc/66/73/84/377667384.db2.gz ZPZRVMAVLYHNGA-ARILJUKYSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574514159 377673105 /nfs/dbraw/zinc/67/31/05/377673105.db2.gz VYEOWMJGWLEZQG-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000574514159 377673112 /nfs/dbraw/zinc/67/31/12/377673112.db2.gz VYEOWMJGWLEZQG-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000574904581 377722559 /nfs/dbraw/zinc/72/25/59/377722559.db2.gz IEEUJMLTDDYPHV-HNNXBMFYSA-N 2 2 260.406 3.155 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000342674589 377726168 /nfs/dbraw/zinc/72/61/68/377726168.db2.gz FXSSOHZGFJGDOH-OAHLLOKOSA-N 2 2 255.365 3.151 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725675 377758295 /nfs/dbraw/zinc/75/82/95/377758295.db2.gz KKADYYBUTXHROX-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725675 377758302 /nfs/dbraw/zinc/75/83/02/377758302.db2.gz KKADYYBUTXHROX-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725675 377758311 /nfs/dbraw/zinc/75/83/11/377758311.db2.gz KKADYYBUTXHROX-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725675 377758316 /nfs/dbraw/zinc/75/83/16/377758316.db2.gz KKADYYBUTXHROX-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554934 377816126 /nfs/dbraw/zinc/81/61/26/377816126.db2.gz BCYZZVNWOQISDG-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554934 377816132 /nfs/dbraw/zinc/81/61/32/377816132.db2.gz BCYZZVNWOQISDG-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH+]1CCc2ccccc2CC1 ZINC000575265306 377799270 /nfs/dbraw/zinc/79/92/70/377799270.db2.gz SOMCPRPXSHQKCE-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871836 377863294 /nfs/dbraw/zinc/86/32/94/377863294.db2.gz XMFJARGNXOBERR-ZOCIIQOWSA-N 2 2 296.414 3.183 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871836 377863297 /nfs/dbraw/zinc/86/32/97/377863297.db2.gz XMFJARGNXOBERR-ZOCIIQOWSA-N 2 2 296.414 3.183 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261923048 377867954 /nfs/dbraw/zinc/86/79/54/377867954.db2.gz KTDVGPDDSJNQJN-UHFFFAOYSA-N 2 2 290.426 3.352 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1[NH3+] ZINC000262044737 377882377 /nfs/dbraw/zinc/88/23/77/377882377.db2.gz PPSZEEUCQOLNDR-MLGOLLRUSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1[NH3+] ZINC000262044737 377882382 /nfs/dbraw/zinc/88/23/82/377882382.db2.gz PPSZEEUCQOLNDR-MLGOLLRUSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261725211 377845230 /nfs/dbraw/zinc/84/52/30/377845230.db2.gz LNGQMCZKPOVBPG-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261725211 377845240 /nfs/dbraw/zinc/84/52/40/377845240.db2.gz LNGQMCZKPOVBPG-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000261779423 377853447 /nfs/dbraw/zinc/85/34/47/377853447.db2.gz PBZMUVMTHLDLJB-SFHVURJKSA-N 2 2 268.404 3.066 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000261779423 377853456 /nfs/dbraw/zinc/85/34/56/377853456.db2.gz PBZMUVMTHLDLJB-SFHVURJKSA-N 2 2 268.404 3.066 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000343537343 378012500 /nfs/dbraw/zinc/01/25/00/378012500.db2.gz MOOCIHLKTAQFOH-KBRIMQKVSA-N 2 2 290.476 3.262 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266925992 378029422 /nfs/dbraw/zinc/02/94/22/378029422.db2.gz NHTSVLUHFBGPPR-DZGCQCFKSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266925992 378029429 /nfs/dbraw/zinc/02/94/29/378029429.db2.gz NHTSVLUHFBGPPR-DZGCQCFKSA-N 2 2 255.365 3.350 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC[C@H]2c2ccnn2C)c[nH+]1 ZINC000343635943 378048703 /nfs/dbraw/zinc/04/87/03/378048703.db2.gz HOMVNAHQCVVSLD-SFHVURJKSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2c2ccnn2C)c[nH+]1 ZINC000343635943 378048710 /nfs/dbraw/zinc/04/87/10/378048710.db2.gz HOMVNAHQCVVSLD-SFHVURJKSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCSc3ccccc32)n1C ZINC000578453769 378071886 /nfs/dbraw/zinc/07/18/86/378071886.db2.gz FVWMYKGRFUTGMS-CQSZACIVSA-N 2 2 273.405 3.055 20 0 CGADLP CSCC[C@@H](C)[N@H+](C)CCc1cc[nH+]cc1C ZINC000578983963 378118553 /nfs/dbraw/zinc/11/85/53/378118553.db2.gz DIHKRHOWCJHTSZ-CYBMUJFWSA-N 2 2 252.427 3.006 20 0 CGADLP CSCC[C@@H](C)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000578983963 378118558 /nfs/dbraw/zinc/11/85/58/378118558.db2.gz DIHKRHOWCJHTSZ-CYBMUJFWSA-N 2 2 252.427 3.006 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268819618 378120308 /nfs/dbraw/zinc/12/03/08/378120308.db2.gz NQRYONDTGNSRDH-RYUDHWBXSA-N 2 2 293.798 3.284 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000268909142 378150445 /nfs/dbraw/zinc/15/04/45/378150445.db2.gz SSZSGRYLGWXRTM-RDJZCZTQSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000268909142 378150449 /nfs/dbraw/zinc/15/04/49/378150449.db2.gz SSZSGRYLGWXRTM-RDJZCZTQSA-N 2 2 299.418 3.126 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000268746163 378101843 /nfs/dbraw/zinc/10/18/43/378101843.db2.gz VFDYDGNMTSBBGY-AWEZNQCLSA-N 2 2 283.419 3.370 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000269969837 378288824 /nfs/dbraw/zinc/28/88/24/378288824.db2.gz ODFQFUMLHKJWGH-PBHICJAKSA-N 2 2 269.392 3.247 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000582413208 378310830 /nfs/dbraw/zinc/31/08/30/378310830.db2.gz CYPHIWYTJHMIMS-INIZCTEOSA-N 2 2 258.409 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000582413208 378310834 /nfs/dbraw/zinc/31/08/34/378310834.db2.gz CYPHIWYTJHMIMS-INIZCTEOSA-N 2 2 258.409 3.443 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)[nH]1 ZINC000271181374 378472844 /nfs/dbraw/zinc/47/28/44/378472844.db2.gz HUCHTTZZHPCGPV-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CCOC3(CCCCC3)C2)[nH+]1 ZINC000271265473 378485230 /nfs/dbraw/zinc/48/52/30/378485230.db2.gz NIOHTZUXASMSPE-OAHLLOKOSA-N 2 2 299.418 3.306 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168188 378487482 /nfs/dbraw/zinc/48/74/82/378487482.db2.gz CEWXJYREQULZTB-VXGBXAGGSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168188 378487488 /nfs/dbraw/zinc/48/74/88/378487488.db2.gz CEWXJYREQULZTB-VXGBXAGGSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000346197839 378500194 /nfs/dbraw/zinc/50/01/94/378500194.db2.gz JTOWOACBXZJDFI-HIFRSBDPSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346233108 378515577 /nfs/dbraw/zinc/51/55/77/378515577.db2.gz ZDCJNXCQGIKGCW-VYDXJSESSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346233108 378515585 /nfs/dbraw/zinc/51/55/85/378515585.db2.gz ZDCJNXCQGIKGCW-VYDXJSESSA-N 2 2 274.408 3.361 20 0 CGADLP CCC[C@@H](C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000272047064 378552684 /nfs/dbraw/zinc/55/26/84/378552684.db2.gz YSWPTPHWASITFT-OAHLLOKOSA-N 2 2 271.408 3.457 20 0 CGADLP CC(C)(C)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000346372635 378558973 /nfs/dbraw/zinc/55/89/73/378558973.db2.gz VKNBSOSULSTKSS-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000346372635 378558981 /nfs/dbraw/zinc/55/89/81/378558981.db2.gz VKNBSOSULSTKSS-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP Fc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272425383 378634260 /nfs/dbraw/zinc/63/42/60/378634260.db2.gz GZMHEZITJJZRHY-OAHLLOKOSA-N 2 2 287.382 3.361 20 0 CGADLP Fc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272425383 378634264 /nfs/dbraw/zinc/63/42/64/378634264.db2.gz GZMHEZITJJZRHY-OAHLLOKOSA-N 2 2 287.382 3.361 20 0 CGADLP CCOC[C@@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346588043 378635497 /nfs/dbraw/zinc/63/54/97/378635497.db2.gz FQRAMXMLYSXHHC-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP CCOC[C@@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346588043 378635504 /nfs/dbraw/zinc/63/55/04/378635504.db2.gz FQRAMXMLYSXHHC-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC000346631788 378653716 /nfs/dbraw/zinc/65/37/16/378653716.db2.gz DOBRHUGUYOHLJL-OAHLLOKOSA-N 2 2 293.414 3.347 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@H]([NH3+])C3)ccc21 ZINC000346631788 378653721 /nfs/dbraw/zinc/65/37/21/378653721.db2.gz DOBRHUGUYOHLJL-OAHLLOKOSA-N 2 2 293.414 3.347 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000346647732 378661140 /nfs/dbraw/zinc/66/11/40/378661140.db2.gz BEKPHZWZVOZVSO-HNNXBMFYSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000346647732 378661148 /nfs/dbraw/zinc/66/11/48/378661148.db2.gz BEKPHZWZVOZVSO-HNNXBMFYSA-N 2 2 284.831 3.154 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000637951373 378643068 /nfs/dbraw/zinc/64/30/68/378643068.db2.gz JPENCEHIINYVBP-INMHGKMJSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000637951373 378643070 /nfs/dbraw/zinc/64/30/70/378643070.db2.gz JPENCEHIINYVBP-INMHGKMJSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346609965 378645238 /nfs/dbraw/zinc/64/52/38/378645238.db2.gz KSTCSSCDUGDSMZ-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1Cc2ccccc2C1 ZINC000347995137 378747841 /nfs/dbraw/zinc/74/78/41/378747841.db2.gz FAEPBIHQUICWOI-UHFFFAOYSA-N 2 2 280.415 3.327 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928941 378732981 /nfs/dbraw/zinc/73/29/81/378732981.db2.gz RMIVIXPVKMYTLA-VQIMIIECSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928941 378732986 /nfs/dbraw/zinc/73/29/86/378732986.db2.gz RMIVIXPVKMYTLA-VQIMIIECSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000347928941 378732990 /nfs/dbraw/zinc/73/29/90/378732990.db2.gz RMIVIXPVKMYTLA-VQIMIIECSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000347928941 378732994 /nfs/dbraw/zinc/73/29/94/378732994.db2.gz RMIVIXPVKMYTLA-VQIMIIECSA-N 2 2 299.462 3.093 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638340969 378773398 /nfs/dbraw/zinc/77/33/98/378773398.db2.gz HEIHDRKNIVFVQL-DOMZBBRYSA-N 2 2 291.345 3.065 20 0 CGADLP CC(C)O[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000638359837 378777433 /nfs/dbraw/zinc/77/74/33/378777433.db2.gz SQRVVUOGIWVRIP-DOTOQJQBSA-N 2 2 287.407 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000348089308 378785637 /nfs/dbraw/zinc/78/56/37/378785637.db2.gz UPVVITZLVKEJKS-AYRXBEOTSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[N@H+]1C1CC1 ZINC000348089308 378785644 /nfs/dbraw/zinc/78/56/44/378785644.db2.gz UPVVITZLVKEJKS-AYRXBEOTSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000346791198 218014408 /nfs/dbraw/zinc/01/44/08/218014408.db2.gz HTCZEJMZLSVGBA-SWLSCSKDSA-N 2 2 274.383 3.030 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000346791198 218014410 /nfs/dbraw/zinc/01/44/10/218014410.db2.gz HTCZEJMZLSVGBA-SWLSCSKDSA-N 2 2 274.383 3.030 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]CC2CCSCC2)[NH+](C)C)cc1 ZINC000638447991 378806134 /nfs/dbraw/zinc/80/61/34/378806134.db2.gz QCJKKQCQPIJKTO-QGZVFWFLSA-N 2 2 292.492 3.331 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000346828708 218026321 /nfs/dbraw/zinc/02/63/21/218026321.db2.gz IJBCVGWGZNYOGE-UHFFFAOYSA-N 2 2 286.341 3.407 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000346828708 218026323 /nfs/dbraw/zinc/02/63/23/218026323.db2.gz IJBCVGWGZNYOGE-UHFFFAOYSA-N 2 2 286.341 3.407 20 0 CGADLP CC(C)C1(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000638518169 378822801 /nfs/dbraw/zinc/82/28/01/378822801.db2.gz HNTUVEPCMXMLFJ-UHFFFAOYSA-N 2 2 261.413 3.300 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCCC(C)(C)C2)s1 ZINC000348225100 378847649 /nfs/dbraw/zinc/84/76/49/378847649.db2.gz MQPGSSJMDJGAJS-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCCC(C)(C)C2)s1 ZINC000348225100 378847653 /nfs/dbraw/zinc/84/76/53/378847653.db2.gz MQPGSSJMDJGAJS-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638637005 378858932 /nfs/dbraw/zinc/85/89/32/378858932.db2.gz KYDVPASOMFBGAM-IMJJTQAJSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638637005 378858939 /nfs/dbraw/zinc/85/89/39/378858939.db2.gz KYDVPASOMFBGAM-IMJJTQAJSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261485 378871973 /nfs/dbraw/zinc/87/19/73/378871973.db2.gz MVKWSEGCPNVPGG-XJKSGUPXSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261485 378871979 /nfs/dbraw/zinc/87/19/79/378871979.db2.gz MVKWSEGCPNVPGG-XJKSGUPXSA-N 2 2 293.480 3.217 20 0 CGADLP CC[C@H](C)[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346950742 218067700 /nfs/dbraw/zinc/06/77/00/218067700.db2.gz UGPBPXRTGPTMOL-OFQRWUPVSA-N 2 2 290.455 3.068 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348395832 378939922 /nfs/dbraw/zinc/93/99/22/378939922.db2.gz KAKZVHZDCPBZNQ-AEGPPILISA-N 2 2 273.355 3.414 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347016644 218093692 /nfs/dbraw/zinc/09/36/92/218093692.db2.gz JSTJWBZUQOMFHF-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347016644 218093694 /nfs/dbraw/zinc/09/36/94/218093694.db2.gz JSTJWBZUQOMFHF-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP c1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347073875 218114014 /nfs/dbraw/zinc/11/40/14/218114014.db2.gz GAKRUJSWPKUGDQ-GOSISDBHSA-N 2 2 298.386 3.004 20 0 CGADLP c1ccc(OCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347073875 218114015 /nfs/dbraw/zinc/11/40/15/218114015.db2.gz GAKRUJSWPKUGDQ-GOSISDBHSA-N 2 2 298.386 3.004 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000347102431 218120884 /nfs/dbraw/zinc/12/08/84/218120884.db2.gz MEPYKFFBBZHANY-ZBFHGGJFSA-N 2 2 276.424 3.014 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000347102431 218120886 /nfs/dbraw/zinc/12/08/86/218120886.db2.gz MEPYKFFBBZHANY-ZBFHGGJFSA-N 2 2 276.424 3.014 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CC[C@@H]3C3CCC3)[nH+]c2)c[nH+]1 ZINC000348829833 379068057 /nfs/dbraw/zinc/06/80/57/379068057.db2.gz AKZBOTSOFYAFEG-HZPDHXFCSA-N 2 2 282.391 3.317 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000349124035 379164347 /nfs/dbraw/zinc/16/43/47/379164347.db2.gz AOVAYTQLUICSRN-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000349124035 379164351 /nfs/dbraw/zinc/16/43/51/379164351.db2.gz AOVAYTQLUICSRN-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000277363083 379140569 /nfs/dbraw/zinc/14/05/69/379140569.db2.gz XEJQAAAMWZSQHF-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000277363083 379140576 /nfs/dbraw/zinc/14/05/76/379140576.db2.gz XEJQAAAMWZSQHF-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349184378 379179983 /nfs/dbraw/zinc/17/99/83/379179983.db2.gz IAAOVGWJSBMOEF-CQSZACIVSA-N 2 2 287.382 3.111 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349184378 379179988 /nfs/dbraw/zinc/17/99/88/379179988.db2.gz IAAOVGWJSBMOEF-CQSZACIVSA-N 2 2 287.382 3.111 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373109229 379222879 /nfs/dbraw/zinc/22/28/79/379222879.db2.gz FZFOPOZIZARENX-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373109229 379222886 /nfs/dbraw/zinc/22/28/86/379222886.db2.gz FZFOPOZIZARENX-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373116646 379226658 /nfs/dbraw/zinc/22/66/58/379226658.db2.gz YDDWARCBGCJHBT-INIZCTEOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373116646 379226668 /nfs/dbraw/zinc/22/66/68/379226668.db2.gz YDDWARCBGCJHBT-INIZCTEOSA-N 2 2 269.392 3.108 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1scnc1C ZINC000349363482 379249393 /nfs/dbraw/zinc/24/93/93/379249393.db2.gz DWYNWGCJGRDSMG-UHFFFAOYSA-N 2 2 269.458 3.005 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1scnc1C ZINC000349363482 379249404 /nfs/dbraw/zinc/24/94/04/379249404.db2.gz DWYNWGCJGRDSMG-UHFFFAOYSA-N 2 2 269.458 3.005 20 0 CGADLP CCc1ccc(C[N@@H+](CC)CCC[NH+](CC)CC)cn1 ZINC000349371808 379256231 /nfs/dbraw/zinc/25/62/31/379256231.db2.gz UGKVYYORQVKPCA-UHFFFAOYSA-N 2 2 277.456 3.198 20 0 CGADLP CCc1ccc(C[N@H+](CC)CCC[NH+](CC)CC)cn1 ZINC000349371808 379256232 /nfs/dbraw/zinc/25/62/32/379256232.db2.gz UGKVYYORQVKPCA-UHFFFAOYSA-N 2 2 277.456 3.198 20 0 CGADLP CCOc1cccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1 ZINC000639378501 379337118 /nfs/dbraw/zinc/33/71/18/379337118.db2.gz FNYKFPZXDIFCBD-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000639377922 379337904 /nfs/dbraw/zinc/33/79/04/379337904.db2.gz KQWWJTPHZSCIQH-UHFFFAOYSA-N 2 2 299.462 3.485 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000639378288 379338239 /nfs/dbraw/zinc/33/82/39/379338239.db2.gz OAUDKBSQNWBBDN-UHFFFAOYSA-N 2 2 296.480 3.201 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccsc2)CC1 ZINC000639380300 379340759 /nfs/dbraw/zinc/34/07/59/379340759.db2.gz WSUCXVVSWMFTQY-UHFFFAOYSA-N 2 2 252.427 3.054 20 0 CGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]C[C@H]2CCSC2)cc1 ZINC000278334588 379352837 /nfs/dbraw/zinc/35/28/37/379352837.db2.gz GQXUKZXXSBXKKZ-NVXWUHKLSA-N 2 2 290.476 3.166 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3ccccc3)n2)CC1 ZINC000350011060 379475695 /nfs/dbraw/zinc/47/56/95/379475695.db2.gz QDYRJYLWBSJEGN-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC1 ZINC000350011060 379475702 /nfs/dbraw/zinc/47/57/02/379475702.db2.gz QDYRJYLWBSJEGN-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347644909 218303835 /nfs/dbraw/zinc/30/38/35/218303835.db2.gz CRIYTEHFGKVTHT-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347644909 218303837 /nfs/dbraw/zinc/30/38/37/218303837.db2.gz CRIYTEHFGKVTHT-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000279808209 379520851 /nfs/dbraw/zinc/52/08/51/379520851.db2.gz WYJITNJCZFSIGH-CRAIPNDOSA-N 2 2 299.418 3.249 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376759915 379601011 /nfs/dbraw/zinc/60/10/11/379601011.db2.gz XIKBPOUMHSPATQ-GOEBONIOSA-N 2 2 273.424 3.301 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640154367 379734998 /nfs/dbraw/zinc/73/49/98/379734998.db2.gz FXGUPOJZYNRTLK-INIZCTEOSA-N 2 2 276.330 3.372 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377774692 379738980 /nfs/dbraw/zinc/73/89/80/379738980.db2.gz HPEISEKEZAJOCW-OAHLLOKOSA-N 2 2 269.392 3.009 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377774692 379738983 /nfs/dbraw/zinc/73/89/83/379738983.db2.gz HPEISEKEZAJOCW-OAHLLOKOSA-N 2 2 269.392 3.009 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798469 379743557 /nfs/dbraw/zinc/74/35/57/379743557.db2.gz IPBFXXLCJCGZHJ-JSGCOSHPSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798469 379743559 /nfs/dbraw/zinc/74/35/59/379743559.db2.gz IPBFXXLCJCGZHJ-JSGCOSHPSA-N 2 2 285.391 3.017 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377803787 379743712 /nfs/dbraw/zinc/74/37/12/379743712.db2.gz ZVKPKVYZNCOJJP-CTASWTNQSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377803787 379743716 /nfs/dbraw/zinc/74/37/16/379743716.db2.gz ZVKPKVYZNCOJJP-CTASWTNQSA-N 2 2 275.440 3.317 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000377798296 379743792 /nfs/dbraw/zinc/74/37/92/379743792.db2.gz GUIUCRBDDDZQIB-MNOVXSKESA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000377798296 379743796 /nfs/dbraw/zinc/74/37/96/379743796.db2.gz GUIUCRBDDDZQIB-MNOVXSKESA-N 2 2 261.394 3.069 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267441049 190330710 /nfs/dbraw/zinc/33/07/10/190330710.db2.gz PDVIDDHCDAECRL-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267441049 190330711 /nfs/dbraw/zinc/33/07/11/190330711.db2.gz PDVIDDHCDAECRL-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000352512439 379842041 /nfs/dbraw/zinc/84/20/41/379842041.db2.gz XSZDYRAWXZQMQU-OAHLLOKOSA-N 2 2 295.496 3.435 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000352512439 379842044 /nfs/dbraw/zinc/84/20/44/379842044.db2.gz XSZDYRAWXZQMQU-OAHLLOKOSA-N 2 2 295.496 3.435 20 0 CGADLP C(=C/[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000378603317 379845743 /nfs/dbraw/zinc/84/57/43/379845743.db2.gz ZIGKQRSUXFCPJP-BBVFFXRHSA-N 2 2 281.403 3.451 20 0 CGADLP C(=C/[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000378603317 379845752 /nfs/dbraw/zinc/84/57/52/379845752.db2.gz ZIGKQRSUXFCPJP-BBVFFXRHSA-N 2 2 281.403 3.451 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000282121670 379858069 /nfs/dbraw/zinc/85/80/69/379858069.db2.gz JOPQXNVFEFZOGW-QRQLOZEOSA-N 2 2 299.462 3.214 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389792026 379903392 /nfs/dbraw/zinc/90/33/92/379903392.db2.gz QLDMABJLRSOIER-ZMSDIMECSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389792026 379903399 /nfs/dbraw/zinc/90/33/99/379903399.db2.gz QLDMABJLRSOIER-ZMSDIMECSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000352795460 379965836 /nfs/dbraw/zinc/96/58/36/379965836.db2.gz JYJGNVZNUSARLU-CQSZACIVSA-N 2 2 288.370 3.159 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000282734854 379980164 /nfs/dbraw/zinc/98/01/64/379980164.db2.gz SUVJBTMPOOVUBD-ZDUSSCGKSA-N 2 2 277.799 3.147 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000282537350 379939952 /nfs/dbraw/zinc/93/99/52/379939952.db2.gz BLAZKWMVUWVADV-STQMWFEESA-N 2 2 277.799 3.146 20 0 CGADLP COc1ccccc1/C=C\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352855744 380008256 /nfs/dbraw/zinc/00/82/56/380008256.db2.gz ZITZLRVEKQLQCD-XQRVVYSFSA-N 2 2 297.402 3.311 20 0 CGADLP CC(C)C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347875706 218387177 /nfs/dbraw/zinc/38/71/77/218387177.db2.gz JVDJLXWCBXGBGO-UHFFFAOYSA-N 2 2 281.469 3.073 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(F)F)CC1 ZINC000347877313 218387538 /nfs/dbraw/zinc/38/75/38/218387538.db2.gz KPSBVDBFUBZQOR-UHFFFAOYSA-N 2 2 268.351 3.300 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000352888857 380020916 /nfs/dbraw/zinc/02/09/16/380020916.db2.gz QVBKSMQPWREXCV-UHFFFAOYSA-N 2 2 274.330 3.089 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000352888857 380020920 /nfs/dbraw/zinc/02/09/20/380020920.db2.gz QVBKSMQPWREXCV-UHFFFAOYSA-N 2 2 274.330 3.089 20 0 CGADLP CCC[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347885063 218390953 /nfs/dbraw/zinc/39/09/53/218390953.db2.gz RFDZREDXPOEONA-ZDUSSCGKSA-N 2 2 281.469 3.217 20 0 CGADLP CCC[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347885063 218390955 /nfs/dbraw/zinc/39/09/55/218390955.db2.gz RFDZREDXPOEONA-ZDUSSCGKSA-N 2 2 281.469 3.217 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352903646 380028995 /nfs/dbraw/zinc/02/89/95/380028995.db2.gz PXTRGNWQRUFHMX-GRDNDAEWSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352903646 380029000 /nfs/dbraw/zinc/02/90/00/380029000.db2.gz PXTRGNWQRUFHMX-GRDNDAEWSA-N 2 2 288.435 3.219 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068600 /nfs/dbraw/zinc/06/86/00/380068600.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068603 /nfs/dbraw/zinc/06/86/03/380068603.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068606 /nfs/dbraw/zinc/06/86/06/380068606.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995772 380068609 /nfs/dbraw/zinc/06/86/09/380068609.db2.gz NVEPOBHIYDMABD-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000641773449 380090804 /nfs/dbraw/zinc/09/08/04/380090804.db2.gz HSHIBCMCIGZQJQ-AWEZNQCLSA-N 2 2 294.464 3.213 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000641773449 380090813 /nfs/dbraw/zinc/09/08/13/380090813.db2.gz HSHIBCMCIGZQJQ-AWEZNQCLSA-N 2 2 294.464 3.213 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000347912042 218396477 /nfs/dbraw/zinc/39/64/77/218396477.db2.gz LUHPPYFDBILQGC-ZWKOTPCHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000347912042 218396479 /nfs/dbraw/zinc/39/64/79/218396479.db2.gz LUHPPYFDBILQGC-ZWKOTPCHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000347912041 218397115 /nfs/dbraw/zinc/39/71/15/218397115.db2.gz LUHPPYFDBILQGC-ROUUACIJSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000347912041 218397117 /nfs/dbraw/zinc/39/71/17/218397117.db2.gz LUHPPYFDBILQGC-ROUUACIJSA-N 2 2 288.435 3.071 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC000641779525 380094412 /nfs/dbraw/zinc/09/44/12/380094412.db2.gz NBBKZYRXQQPBPO-QAPCUYQASA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)CC2 ZINC000641779525 380094419 /nfs/dbraw/zinc/09/44/19/380094419.db2.gz NBBKZYRXQQPBPO-QAPCUYQASA-N 2 2 281.403 3.398 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000353092163 380110149 /nfs/dbraw/zinc/11/01/49/380110149.db2.gz ROUCABZBQXUSIS-CZUORRHYSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000353092163 380110153 /nfs/dbraw/zinc/11/01/53/380110153.db2.gz ROUCABZBQXUSIS-CZUORRHYSA-N 2 2 290.476 3.264 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)C[C@@H]1[NH3+] ZINC000641802973 380113014 /nfs/dbraw/zinc/11/30/14/380113014.db2.gz QHDYKANHGLRGBT-NWDGAFQWSA-N 2 2 293.461 3.087 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000643030456 380204854 /nfs/dbraw/zinc/20/48/54/380204854.db2.gz UUFTTYSHJQIUTH-OLZOCXBDSA-N 2 2 259.328 3.056 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCn3cccc3[C@H]2C)c[nH+]1 ZINC000353363014 380205383 /nfs/dbraw/zinc/20/53/83/380205383.db2.gz JRQSEYRTCFXOLA-OAHLLOKOSA-N 2 2 269.392 3.201 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCn3cccc3[C@H]2C)c[nH+]1 ZINC000353363014 380205388 /nfs/dbraw/zinc/20/53/88/380205388.db2.gz JRQSEYRTCFXOLA-OAHLLOKOSA-N 2 2 269.392 3.201 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000286357379 380202234 /nfs/dbraw/zinc/20/22/34/380202234.db2.gz FUXQRLBIRQQRNB-ZJRBINPNSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357379 380202238 /nfs/dbraw/zinc/20/22/38/380202238.db2.gz FUXQRLBIRQQRNB-ZJRBINPNSA-N 2 2 292.373 3.193 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2C)c[nH+]1 ZINC000353944157 380245924 /nfs/dbraw/zinc/24/59/24/380245924.db2.gz JYHJHKAKIVCXCV-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000353987308 380266757 /nfs/dbraw/zinc/26/67/57/380266757.db2.gz OSJYSXBQDWRLQK-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000353987308 380266763 /nfs/dbraw/zinc/26/67/63/380266763.db2.gz OSJYSXBQDWRLQK-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066443 380210926 /nfs/dbraw/zinc/21/09/26/380210926.db2.gz OPELECAHLDZZFC-QUCCMNQESA-N 2 2 294.442 3.456 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066443 380210932 /nfs/dbraw/zinc/21/09/32/380210932.db2.gz OPELECAHLDZZFC-QUCCMNQESA-N 2 2 294.442 3.456 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748390 380222740 /nfs/dbraw/zinc/22/27/40/380222740.db2.gz RQSIGVHVBNCPIM-HIFRSBDPSA-N 2 2 292.471 3.012 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748390 380222743 /nfs/dbraw/zinc/22/27/43/380222743.db2.gz RQSIGVHVBNCPIM-HIFRSBDPSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748390 380222751 /nfs/dbraw/zinc/22/27/51/380222751.db2.gz RQSIGVHVBNCPIM-HIFRSBDPSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748390 380222755 /nfs/dbraw/zinc/22/27/55/380222755.db2.gz RQSIGVHVBNCPIM-HIFRSBDPSA-N 2 2 292.471 3.012 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353927445 380238797 /nfs/dbraw/zinc/23/87/97/380238797.db2.gz IZZDLIQAJHQJCT-LSDHHAIUSA-N 2 2 276.399 3.105 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353927445 380238802 /nfs/dbraw/zinc/23/88/02/380238802.db2.gz IZZDLIQAJHQJCT-LSDHHAIUSA-N 2 2 276.399 3.105 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088636 380316436 /nfs/dbraw/zinc/31/64/36/380316436.db2.gz SJUPGHCFYDENOF-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088636 380316440 /nfs/dbraw/zinc/31/64/40/380316440.db2.gz SJUPGHCFYDENOF-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501281 380322522 /nfs/dbraw/zinc/32/25/22/380322522.db2.gz BLHIPJRSOCBJDN-ZFWWWQNUSA-N 2 2 294.826 3.285 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)ccc1F ZINC000643501507 380322884 /nfs/dbraw/zinc/32/28/84/380322884.db2.gz JFSYYXPWJIFEJV-RDJZCZTQSA-N 2 2 276.399 3.317 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000643507333 380330486 /nfs/dbraw/zinc/33/04/86/380330486.db2.gz ZPGFLTNEDFWGTF-ZDUSSCGKSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2s1 ZINC000643507425 380330717 /nfs/dbraw/zinc/33/07/17/380330717.db2.gz CSIQMBIJMGFCCK-LLVKDONJSA-N 2 2 260.406 3.304 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000643508544 380331910 /nfs/dbraw/zinc/33/19/10/380331910.db2.gz BPHGONLINJJPTB-RCCFBDPRSA-N 2 2 290.451 3.357 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)nc1 ZINC000643522198 380337396 /nfs/dbraw/zinc/33/73/96/380337396.db2.gz JMFCNRMSRABTPC-WMZOPIPTSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643459873 380311555 /nfs/dbraw/zinc/31/15/55/380311555.db2.gz VDXHBDHPYZFADG-YOEHRIQHSA-N 2 2 297.402 3.104 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088636 380316427 /nfs/dbraw/zinc/31/64/27/380316427.db2.gz SJUPGHCFYDENOF-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088636 380316431 /nfs/dbraw/zinc/31/64/31/380316431.db2.gz SJUPGHCFYDENOF-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccccc1C[N@H+](C[C@H]([NH3+])CC(C)C)C1CC1 ZINC000414671127 380363810 /nfs/dbraw/zinc/36/38/10/380363810.db2.gz FJODELDTMKSYTE-OAHLLOKOSA-N 2 2 276.424 3.033 20 0 CGADLP COc1ccccc1C[N@@H+](C[C@H]([NH3+])CC(C)C)C1CC1 ZINC000414671127 380363816 /nfs/dbraw/zinc/36/38/16/380363816.db2.gz FJODELDTMKSYTE-OAHLLOKOSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414686893 380372337 /nfs/dbraw/zinc/37/23/37/380372337.db2.gz BRTRKNDNCGOQJF-DGCLKSJQSA-N 2 2 269.458 3.126 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414686893 380372343 /nfs/dbraw/zinc/37/23/43/380372343.db2.gz BRTRKNDNCGOQJF-DGCLKSJQSA-N 2 2 269.458 3.126 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000643800240 380381060 /nfs/dbraw/zinc/38/10/60/380381060.db2.gz GMOLXNMDDVYHBX-HZPDHXFCSA-N 2 2 270.420 3.182 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000643800240 380381065 /nfs/dbraw/zinc/38/10/65/380381065.db2.gz GMOLXNMDDVYHBX-HZPDHXFCSA-N 2 2 270.420 3.182 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000643528064 380344352 /nfs/dbraw/zinc/34/43/52/380344352.db2.gz YMIHLTGIIJNMQD-BDAKNGLRSA-N 2 2 252.745 3.084 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2ccccc2s1 ZINC000643538188 380355961 /nfs/dbraw/zinc/35/59/61/380355961.db2.gz ATUPSCLZKUOXFT-WXHSDQCUSA-N 2 2 278.396 3.252 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000414812532 380424315 /nfs/dbraw/zinc/42/43/15/380424315.db2.gz POZCARCHOCWZPJ-UHFFFAOYSA-N 3 2 289.467 3.225 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1C ZINC000414827878 380437980 /nfs/dbraw/zinc/43/79/80/380437980.db2.gz HZGMQYXWDIYPTI-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000414851353 380454346 /nfs/dbraw/zinc/45/43/46/380454346.db2.gz UDRBHTMSZUFNCK-MRXNPFEDSA-N 2 2 297.402 3.024 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1Oc1cccnc1 ZINC000414777086 380401008 /nfs/dbraw/zinc/40/10/08/380401008.db2.gz XONXNUZLEKUYLI-YOEHRIQHSA-N 2 2 297.402 3.104 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1Oc1cccnc1 ZINC000414777086 380401013 /nfs/dbraw/zinc/40/10/13/380401013.db2.gz XONXNUZLEKUYLI-YOEHRIQHSA-N 2 2 297.402 3.104 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)s1)C1(C[NH3+])CCC1 ZINC000414785956 380402425 /nfs/dbraw/zinc/40/24/25/380402425.db2.gz KGGHYYSLXCAUON-UHFFFAOYSA-N 2 2 278.343 3.080 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C1(C[NH3+])CCC1 ZINC000414785956 380402434 /nfs/dbraw/zinc/40/24/34/380402434.db2.gz KGGHYYSLXCAUON-UHFFFAOYSA-N 2 2 278.343 3.080 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000414791321 380407230 /nfs/dbraw/zinc/40/72/30/380407230.db2.gz BFKIXJXWPSFXEB-GOSISDBHSA-N 2 2 284.378 3.320 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414796628 380410376 /nfs/dbraw/zinc/41/03/76/380410376.db2.gz OIGBUBDJVYXRFA-JTQLQIEISA-N 2 2 279.186 3.205 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414803221 380416347 /nfs/dbraw/zinc/41/63/47/380416347.db2.gz WGNGKGXCARJRSE-SFHVURJKSA-N 2 2 298.430 3.339 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414908997 380485382 /nfs/dbraw/zinc/48/53/82/380485382.db2.gz BRHZVNBDFVBWDA-KBXCAEBGSA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000414927956 380491420 /nfs/dbraw/zinc/49/14/20/380491420.db2.gz MVIPHWWQYWHWHT-CYBMUJFWSA-N 2 2 295.496 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000354498906 380459710 /nfs/dbraw/zinc/45/97/10/380459710.db2.gz JWYTWYOQPAZKIT-QGZVFWFLSA-N 2 2 288.435 3.404 20 0 CGADLP COC1CCC(C[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354497620 380459752 /nfs/dbraw/zinc/45/97/52/380459752.db2.gz JKTWASDKDDHRRS-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414862280 380463530 /nfs/dbraw/zinc/46/35/30/380463530.db2.gz HIKZGEAFVPGWRX-JTQLQIEISA-N 2 2 292.732 3.200 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414869854 380467022 /nfs/dbraw/zinc/46/70/22/380467022.db2.gz LTURDAPOFGJKLR-UHFFFAOYSA-N 2 2 294.748 3.448 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]c2cc(C)ccn12 ZINC000414871301 380467128 /nfs/dbraw/zinc/46/71/28/380467128.db2.gz TWJOCFGJUAZNNU-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CCC1 ZINC000414873233 380468579 /nfs/dbraw/zinc/46/85/79/380468579.db2.gz GTPOHBRKZUFYSP-UHFFFAOYSA-N 2 2 277.170 3.104 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414906703 380483959 /nfs/dbraw/zinc/48/39/59/380483959.db2.gz AGMLSQQTWYRPKZ-YPMHNXCESA-N 2 2 266.454 3.133 20 0 CGADLP Cc1csc(C2([NH2+]C3CC[NH+](C(C)C)CC3)CCC2)n1 ZINC000354973011 380565781 /nfs/dbraw/zinc/56/57/81/380565781.db2.gz VWCZQCGFAILIKT-UHFFFAOYSA-N 2 2 293.480 3.293 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1OC ZINC000355115266 380580195 /nfs/dbraw/zinc/58/01/95/380580195.db2.gz QRAKYHFXDSQBPB-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1OC ZINC000355115266 380580203 /nfs/dbraw/zinc/58/02/03/380580203.db2.gz QRAKYHFXDSQBPB-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1OC ZINC000355115266 380580206 /nfs/dbraw/zinc/58/02/06/380580206.db2.gz QRAKYHFXDSQBPB-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1OC ZINC000355115266 380580210 /nfs/dbraw/zinc/58/02/10/380580210.db2.gz QRAKYHFXDSQBPB-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304310 380587545 /nfs/dbraw/zinc/58/75/45/380587545.db2.gz FENDCPUNPODVPZ-VRUQUDLLSA-N 2 2 290.476 3.455 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304310 380587549 /nfs/dbraw/zinc/58/75/49/380587549.db2.gz FENDCPUNPODVPZ-VRUQUDLLSA-N 2 2 290.476 3.455 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322068 380592634 /nfs/dbraw/zinc/59/26/34/380592634.db2.gz MLYYULMZJFNUGW-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322068 380592639 /nfs/dbraw/zinc/59/26/39/380592639.db2.gz MLYYULMZJFNUGW-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000355156902 380602499 /nfs/dbraw/zinc/60/24/99/380602499.db2.gz NUQNCCSUCBKGES-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000355156902 380602508 /nfs/dbraw/zinc/60/25/08/380602508.db2.gz NUQNCCSUCBKGES-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353019 380604114 /nfs/dbraw/zinc/60/41/14/380604114.db2.gz HTILVQKNMMXKCT-ZDUSSCGKSA-N 2 2 272.392 3.048 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCCCc3cccc(C)[nH+]3)c2c1C ZINC000645241092 380628050 /nfs/dbraw/zinc/62/80/50/380628050.db2.gz IUWLXXCJANUXPG-UHFFFAOYSA-N 2 2 295.390 3.323 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417862289 380684042 /nfs/dbraw/zinc/68/40/42/380684042.db2.gz CALSZDZMGNDAHE-SZMVWBNQSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417862289 380684047 /nfs/dbraw/zinc/68/40/47/380684047.db2.gz CALSZDZMGNDAHE-SZMVWBNQSA-N 2 2 272.436 3.112 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000357663871 381241660 /nfs/dbraw/zinc/24/16/60/381241660.db2.gz SJESIBCTCRUJDN-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)CCC2 ZINC000358573090 381316088 /nfs/dbraw/zinc/31/60/88/381316088.db2.gz QQQMWGABXBDHQL-DMRZNYOFSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)n1C ZINC000572663102 322348991 /nfs/dbraw/zinc/34/89/91/322348991.db2.gz FVOXYXATPUNRQF-UHFFFAOYSA-N 2 2 298.217 3.368 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000212736604 542284887 /nfs/dbraw/zinc/28/48/87/542284887.db2.gz WIMZQUSYYLUPHQ-NSHDSACASA-N 2 2 270.779 3.226 20 0 CGADLP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458965 381550304 /nfs/dbraw/zinc/55/03/04/381550304.db2.gz ITUOJDLESMQFAF-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458965 381550312 /nfs/dbraw/zinc/55/03/12/381550312.db2.gz ITUOJDLESMQFAF-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1cc(NCCNc2cccc[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000360670651 381613608 /nfs/dbraw/zinc/61/36/08/381613608.db2.gz YIKIBWRYNAYSFN-UHFFFAOYSA-N 2 2 296.349 3.023 20 0 CGADLP c1c(CC[NH2+]C2CCC3(CC3)CC2)[nH+]c2n1CCCC2 ZINC000362928047 382152293 /nfs/dbraw/zinc/15/22/93/382152293.db2.gz OHMXNZWIGMBVAW-UHFFFAOYSA-N 2 2 273.424 3.074 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000234305619 542308766 /nfs/dbraw/zinc/30/87/66/542308766.db2.gz IIAZOPXSRNGJSP-YIONKMFJSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000234305619 542308770 /nfs/dbraw/zinc/30/87/70/542308770.db2.gz IIAZOPXSRNGJSP-YIONKMFJSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000235223943 542311829 /nfs/dbraw/zinc/31/18/29/542311829.db2.gz HWAFNRIPZZNPOO-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000366888304 382323715 /nfs/dbraw/zinc/32/37/15/382323715.db2.gz USCNDQLXOMYMSL-RDJZCZTQSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000366888304 382323721 /nfs/dbraw/zinc/32/37/21/382323721.db2.gz USCNDQLXOMYMSL-RDJZCZTQSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000367209047 382339299 /nfs/dbraw/zinc/33/92/99/382339299.db2.gz ZETZREHKHSZFQT-HYEGPXJVSA-N 2 2 299.462 3.385 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000368098911 382365015 /nfs/dbraw/zinc/36/50/15/382365015.db2.gz CWVQNCUEZOFKPN-YVEFUNNKSA-N 2 2 281.403 3.279 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000368098911 382365024 /nfs/dbraw/zinc/36/50/24/382365024.db2.gz CWVQNCUEZOFKPN-YVEFUNNKSA-N 2 2 281.403 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249325134 542339555 /nfs/dbraw/zinc/33/95/55/542339555.db2.gz SRDHUSCXRNHJKN-DOMZBBRYSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249325134 542339559 /nfs/dbraw/zinc/33/95/59/542339559.db2.gz SRDHUSCXRNHJKN-DOMZBBRYSA-N 2 2 294.439 3.437 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])on2)cc1 ZINC000261953425 542355533 /nfs/dbraw/zinc/35/55/33/542355533.db2.gz NLFAZHAIUBEBBA-KBXCAEBGSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])on2)cc1 ZINC000261953425 542355539 /nfs/dbraw/zinc/35/55/39/542355539.db2.gz NLFAZHAIUBEBBA-KBXCAEBGSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2s1 ZINC000261973636 542355770 /nfs/dbraw/zinc/35/57/70/542355770.db2.gz QPDSLBGKGFJUII-IAQYHMDHSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2s1 ZINC000261973636 542355771 /nfs/dbraw/zinc/35/57/71/542355771.db2.gz QPDSLBGKGFJUII-IAQYHMDHSA-N 2 2 289.448 3.164 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427854171 533001494 /nfs/dbraw/zinc/00/14/94/533001494.db2.gz PVFDAIPCZGSNAJ-OCCSQVGLSA-N 2 2 287.432 3.271 20 0 CGADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000271133457 542364954 /nfs/dbraw/zinc/36/49/54/542364954.db2.gz BEFLBGQEAOFKPM-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC1(F)F ZINC000335371655 208301226 /nfs/dbraw/zinc/30/12/26/208301226.db2.gz MVRUGXHLCPJZQK-NSHDSACASA-N 2 2 297.374 3.411 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC1(F)F ZINC000335371655 208301232 /nfs/dbraw/zinc/30/12/32/208301232.db2.gz MVRUGXHLCPJZQK-NSHDSACASA-N 2 2 297.374 3.411 20 0 CGADLP CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353743851 220297594 /nfs/dbraw/zinc/29/75/94/220297594.db2.gz DMTUBMIVUZLICR-WBVHZDCISA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353743851 220297596 /nfs/dbraw/zinc/29/75/96/220297596.db2.gz DMTUBMIVUZLICR-WBVHZDCISA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353743851 220297599 /nfs/dbraw/zinc/29/75/99/220297599.db2.gz DMTUBMIVUZLICR-WBVHZDCISA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000353743851 220297602 /nfs/dbraw/zinc/29/76/02/220297602.db2.gz DMTUBMIVUZLICR-WBVHZDCISA-N 2 2 290.451 3.390 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000289385715 197322603 /nfs/dbraw/zinc/32/26/03/197322603.db2.gz QKUGWVXKCWOJQK-UHFFFAOYSA-N 2 2 272.392 3.395 20 0 CGADLP CCCC[NH+]1CCC([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000289333823 197301350 /nfs/dbraw/zinc/30/13/50/197301350.db2.gz VFIMIWFVBOZNPD-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000281159911 195129879 /nfs/dbraw/zinc/12/98/79/195129879.db2.gz HCTXJOXMUTYYRT-IKGGRYGDSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000281159911 195129882 /nfs/dbraw/zinc/12/98/82/195129882.db2.gz HCTXJOXMUTYYRT-IKGGRYGDSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000353851076 220366237 /nfs/dbraw/zinc/36/62/37/220366237.db2.gz RHRJWSFFKMBITQ-MSOLQXFVSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000353851076 220366240 /nfs/dbraw/zinc/36/62/40/220366240.db2.gz RHRJWSFFKMBITQ-MSOLQXFVSA-N 2 2 288.435 3.071 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2([NH+](C)C)CCC2)C(C)C)cc1 ZINC000437104055 533194549 /nfs/dbraw/zinc/19/45/49/533194549.db2.gz NDXDQTPITYRQEP-QGZVFWFLSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000281307358 195191316 /nfs/dbraw/zinc/19/13/16/195191316.db2.gz RQQXRNGEJIOAGP-BBWFWOEESA-N 2 2 298.434 3.291 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000348070515 542514347 /nfs/dbraw/zinc/51/43/47/542514347.db2.gz IENLPYIETKZPME-MSOLQXFVSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524357 542558409 /nfs/dbraw/zinc/55/84/09/542558409.db2.gz VRGGBMKMJOZYJY-GOEBONIOSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524357 542558411 /nfs/dbraw/zinc/55/84/11/542558411.db2.gz VRGGBMKMJOZYJY-GOEBONIOSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ncc[nH]1 ZINC000367620100 533339123 /nfs/dbraw/zinc/33/91/23/533339123.db2.gz CBDRCABTGCIGHN-CQSZACIVSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1csc(-c2ccccc2)n1 ZINC000423289925 533351734 /nfs/dbraw/zinc/35/17/34/533351734.db2.gz YMUAGUWYJIBHKS-LLVKDONJSA-N 2 2 275.421 3.198 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000414062707 533406503 /nfs/dbraw/zinc/40/65/03/533406503.db2.gz LUJKFRAPJFBEMI-CYBMUJFWSA-N 2 2 298.415 3.357 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423339148 533412633 /nfs/dbraw/zinc/41/26/33/533412633.db2.gz ZGRBJCFAXHSJAF-BXUZGUMPSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154618634 533419471 /nfs/dbraw/zinc/41/94/71/533419471.db2.gz NVKIQPCIYGGMNN-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154618634 533419475 /nfs/dbraw/zinc/41/94/75/533419475.db2.gz NVKIQPCIYGGMNN-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000425935473 533425666 /nfs/dbraw/zinc/42/56/66/533425666.db2.gz DITHFDMKXDZHRL-DTWKUNHWSA-N 2 2 295.374 3.010 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000449229652 533603036 /nfs/dbraw/zinc/60/30/36/533603036.db2.gz CYEPGQLTDARXBS-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000449229652 533603042 /nfs/dbraw/zinc/60/30/42/533603042.db2.gz CYEPGQLTDARXBS-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423558476 533541168 /nfs/dbraw/zinc/54/11/68/533541168.db2.gz NRSSMBBTXXONQD-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000389100058 542606977 /nfs/dbraw/zinc/60/69/77/542606977.db2.gz OGYFWBVJTHDSLB-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000389100058 542606981 /nfs/dbraw/zinc/60/69/81/542606981.db2.gz OGYFWBVJTHDSLB-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP Cc1cc([C@@H]([NH2+]CC2([NH+](C)C)CC2)C2CC2)ccc1F ZINC000417352206 291983783 /nfs/dbraw/zinc/98/37/83/291983783.db2.gz FJLQFTTZILJYRV-INIZCTEOSA-N 2 2 276.399 3.269 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000389245913 542607093 /nfs/dbraw/zinc/60/70/93/542607093.db2.gz AOZMUQZRRUXQTQ-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000389245913 542607098 /nfs/dbraw/zinc/60/70/98/542607098.db2.gz AOZMUQZRRUXQTQ-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389276622 542608853 /nfs/dbraw/zinc/60/88/53/542608853.db2.gz SOGVFLVTTYBPFS-WIHSUSGWSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389276622 542608855 /nfs/dbraw/zinc/60/88/55/542608855.db2.gz SOGVFLVTTYBPFS-WIHSUSGWSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000390706417 542611263 /nfs/dbraw/zinc/61/12/63/542611263.db2.gz QPCGLQHOVCGIFO-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000390706417 542611265 /nfs/dbraw/zinc/61/12/65/542611265.db2.gz QPCGLQHOVCGIFO-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000071141868 392188898 /nfs/dbraw/zinc/18/88/98/392188898.db2.gz FEECIFWYOXQUCW-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000071141868 392188904 /nfs/dbraw/zinc/18/89/04/392188904.db2.gz FEECIFWYOXQUCW-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000361762026 392316749 /nfs/dbraw/zinc/31/67/49/392316749.db2.gz BEWXEPNITPRQQZ-IUODEOHRSA-N 2 2 279.428 3.008 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000361762026 392316753 /nfs/dbraw/zinc/31/67/53/392316753.db2.gz BEWXEPNITPRQQZ-IUODEOHRSA-N 2 2 279.428 3.008 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)oc1C ZINC000282070243 392280431 /nfs/dbraw/zinc/28/04/31/392280431.db2.gz HBNBLQLVVXEKKJ-LBPRGKRZSA-N 2 2 262.397 3.174 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000104959810 392281262 /nfs/dbraw/zinc/28/12/62/392281262.db2.gz LHVJXBSPIKHTRO-KRWDZBQOSA-N 2 2 287.451 3.170 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000104959810 392281267 /nfs/dbraw/zinc/28/12/67/392281267.db2.gz LHVJXBSPIKHTRO-KRWDZBQOSA-N 2 2 287.451 3.170 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000361826370 392336026 /nfs/dbraw/zinc/33/60/26/392336026.db2.gz WPEHJLWGZKHHKT-DZGCQCFKSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000361826370 392336030 /nfs/dbraw/zinc/33/60/30/392336030.db2.gz WPEHJLWGZKHHKT-DZGCQCFKSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000361861793 392347009 /nfs/dbraw/zinc/34/70/09/392347009.db2.gz HMYHFOYXWJMAIL-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000361861793 392347017 /nfs/dbraw/zinc/34/70/17/392347017.db2.gz HMYHFOYXWJMAIL-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361929789 392366664 /nfs/dbraw/zinc/36/66/64/392366664.db2.gz ZSYXKQNSKJWRPO-MDZRGWNJSA-N 2 2 298.430 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361929789 392366665 /nfs/dbraw/zinc/36/66/65/392366665.db2.gz ZSYXKQNSKJWRPO-MDZRGWNJSA-N 2 2 298.430 3.321 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947175 392489657 /nfs/dbraw/zinc/48/96/57/392489657.db2.gz PSTQBLIHWIKCHP-BHYGNILZSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947175 392489659 /nfs/dbraw/zinc/48/96/59/392489659.db2.gz PSTQBLIHWIKCHP-BHYGNILZSA-N 2 2 290.451 3.465 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300668021 392583336 /nfs/dbraw/zinc/58/33/36/392583336.db2.gz LAWXIGAGIGJDHQ-AEGPPILISA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300668021 392583341 /nfs/dbraw/zinc/58/33/41/392583341.db2.gz LAWXIGAGIGJDHQ-AEGPPILISA-N 2 2 250.430 3.051 20 0 CGADLP FC(F)(F)CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372132796 392586815 /nfs/dbraw/zinc/58/68/15/392586815.db2.gz YBFXQAKUHYYOSJ-UHFFFAOYSA-N 2 2 275.318 3.322 20 0 CGADLP Cc1occc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000321153131 392672069 /nfs/dbraw/zinc/67/20/69/392672069.db2.gz ZNBPNPDKVVCJFB-GOSISDBHSA-N 2 2 284.403 3.342 20 0 CGADLP Cc1occc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000321153131 392672076 /nfs/dbraw/zinc/67/20/76/392672076.db2.gz ZNBPNPDKVVCJFB-GOSISDBHSA-N 2 2 284.403 3.342 20 0 CGADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C=CCCC1 ZINC000372574916 392619384 /nfs/dbraw/zinc/61/93/84/392619384.db2.gz PTLQYTKRPJUPHU-BZSNNMDCSA-N 2 2 285.435 3.115 20 0 CGADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C=CCCC1 ZINC000372574916 392619387 /nfs/dbraw/zinc/61/93/87/392619387.db2.gz PTLQYTKRPJUPHU-BZSNNMDCSA-N 2 2 285.435 3.115 20 0 CGADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1C=CCCC1 ZINC000372574916 392619389 /nfs/dbraw/zinc/61/93/89/392619389.db2.gz PTLQYTKRPJUPHU-BZSNNMDCSA-N 2 2 285.435 3.115 20 0 CGADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1C=CCCC1 ZINC000372574916 392619393 /nfs/dbraw/zinc/61/93/93/392619393.db2.gz PTLQYTKRPJUPHU-BZSNNMDCSA-N 2 2 285.435 3.115 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553756 392767236 /nfs/dbraw/zinc/76/72/36/392767236.db2.gz IUBMLUQGZROTNI-MRXNPFEDSA-N 2 2 258.409 3.068 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000647530710 392752394 /nfs/dbraw/zinc/75/23/94/392752394.db2.gz AWBWUKFCGQFUCQ-UHFFFAOYSA-N 2 2 287.432 3.123 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000647540501 392757689 /nfs/dbraw/zinc/75/76/89/392757689.db2.gz WAXTZVBSTNMRJY-YESZJQIVSA-N 2 2 278.415 3.058 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000647540501 392757700 /nfs/dbraw/zinc/75/77/00/392757700.db2.gz WAXTZVBSTNMRJY-YESZJQIVSA-N 2 2 278.415 3.058 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C(C)(C)C)cn21 ZINC000647364220 392707598 /nfs/dbraw/zinc/70/75/98/392707598.db2.gz VVWVBLFBYORHOY-CYBMUJFWSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cccc(O)c3)cn21 ZINC000647363597 392707848 /nfs/dbraw/zinc/70/78/48/392707848.db2.gz DSZNIHWIALNCBO-CQSZACIVSA-N 2 2 295.386 3.242 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1csc(C)c1 ZINC000647804718 392807101 /nfs/dbraw/zinc/80/71/01/392807101.db2.gz WWSCFISLYWXDGB-BNOWGMLFSA-N 2 2 252.427 3.238 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925542 392835699 /nfs/dbraw/zinc/83/56/99/392835699.db2.gz MZUNRRDFQUAFEF-SNVBAGLBSA-N 2 2 270.779 3.353 20 0 CGADLP Clc1cc(Cl)cc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000647933074 392835713 /nfs/dbraw/zinc/83/57/13/392835713.db2.gz AFDCPRLRXFOWTA-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP Clc1cc(Cl)cc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000647933074 392835715 /nfs/dbraw/zinc/83/57/15/392835715.db2.gz AFDCPRLRXFOWTA-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572298 392903892 /nfs/dbraw/zinc/90/38/92/392903892.db2.gz UMWDTWOUHONQAW-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572298 392903897 /nfs/dbraw/zinc/90/38/97/392903897.db2.gz UMWDTWOUHONQAW-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572298 392903903 /nfs/dbraw/zinc/90/39/03/392903903.db2.gz UMWDTWOUHONQAW-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572298 392903912 /nfs/dbraw/zinc/90/39/12/392903912.db2.gz UMWDTWOUHONQAW-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]CCC(C)(C)C)cn21 ZINC000648078810 392909611 /nfs/dbraw/zinc/90/96/11/392909611.db2.gz LUPUJRDMSIYFET-UHFFFAOYSA-N 2 2 259.397 3.211 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381608936 392911184 /nfs/dbraw/zinc/91/11/84/392911184.db2.gz IBNYZMUKPZNGRU-BFHKSVSOSA-N 2 2 264.457 3.275 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381608936 392911191 /nfs/dbraw/zinc/91/11/91/392911191.db2.gz IBNYZMUKPZNGRU-BFHKSVSOSA-N 2 2 264.457 3.275 20 0 CGADLP C[NH+](C)C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000194374324 392916028 /nfs/dbraw/zinc/91/60/28/392916028.db2.gz JTUZYSIIARXDOS-UHFFFAOYSA-N 2 2 298.430 3.245 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)c2ccsc2S1 ZINC000336730195 392867845 /nfs/dbraw/zinc/86/78/45/392867845.db2.gz PNDIOSYBRYMGIU-YPMHNXCESA-N 2 2 282.478 3.359 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000338788762 392928693 /nfs/dbraw/zinc/92/86/93/392928693.db2.gz LWAPFLKBQIEAGU-ZZCKCESHSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000338788762 392928697 /nfs/dbraw/zinc/92/86/97/392928697.db2.gz LWAPFLKBQIEAGU-ZZCKCESHSA-N 2 2 272.436 3.251 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1scnc1C1CC1 ZINC000494979947 542721427 /nfs/dbraw/zinc/72/14/27/542721427.db2.gz YCRXQUCRIDGDBS-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1scnc1C1CC1 ZINC000494979947 542721431 /nfs/dbraw/zinc/72/14/31/542721431.db2.gz YCRXQUCRIDGDBS-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1scnc1C1CC1 ZINC000494979947 542721433 /nfs/dbraw/zinc/72/14/33/542721433.db2.gz YCRXQUCRIDGDBS-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1scnc1C1CC1 ZINC000494979947 542721437 /nfs/dbraw/zinc/72/14/37/542721437.db2.gz YCRXQUCRIDGDBS-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000648366920 392984826 /nfs/dbraw/zinc/98/48/26/392984826.db2.gz MHZDCYVGRZXGPA-AWEZNQCLSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000648366920 392984828 /nfs/dbraw/zinc/98/48/28/392984828.db2.gz MHZDCYVGRZXGPA-AWEZNQCLSA-N 2 2 261.394 3.090 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000341761776 392992282 /nfs/dbraw/zinc/99/22/82/392992282.db2.gz SEDFBHWOGARSDV-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000341761776 392992285 /nfs/dbraw/zinc/99/22/85/392992285.db2.gz SEDFBHWOGARSDV-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000342722308 393004864 /nfs/dbraw/zinc/00/48/64/393004864.db2.gz GYIXALYDWQGTBU-HUBLWGQQSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000342722308 393004870 /nfs/dbraw/zinc/00/48/70/393004870.db2.gz GYIXALYDWQGTBU-HUBLWGQQSA-N 2 2 266.816 3.473 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000346356406 393086056 /nfs/dbraw/zinc/08/60/56/393086056.db2.gz YFQUDQDQJJSWQG-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346356406 393086061 /nfs/dbraw/zinc/08/60/61/393086061.db2.gz YFQUDQDQJJSWQG-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000346834670 393095839 /nfs/dbraw/zinc/09/58/39/393095839.db2.gz SSBBXHLVTOAYFH-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000346834670 393095847 /nfs/dbraw/zinc/09/58/47/393095847.db2.gz SSBBXHLVTOAYFH-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415042155 393109401 /nfs/dbraw/zinc/10/94/01/393109401.db2.gz MEKMNELPKQMLEO-RBUKOAKNSA-N 2 2 280.415 3.149 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCCC(C)(C)C ZINC000347278912 393101098 /nfs/dbraw/zinc/10/10/98/393101098.db2.gz FIXKYUJAURTYBL-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCCC(C)(C)C ZINC000347278912 393101106 /nfs/dbraw/zinc/10/11/06/393101106.db2.gz FIXKYUJAURTYBL-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000415039456 393109628 /nfs/dbraw/zinc/10/96/28/393109628.db2.gz NCVYMZWQFAOTMC-AWEZNQCLSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467981 393105678 /nfs/dbraw/zinc/10/56/78/393105678.db2.gz SBUFHMLAZRFTRH-MHORFTMASA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467981 393105681 /nfs/dbraw/zinc/10/56/81/393105681.db2.gz SBUFHMLAZRFTRH-MHORFTMASA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467981 393105685 /nfs/dbraw/zinc/10/56/85/393105685.db2.gz SBUFHMLAZRFTRH-MHORFTMASA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467981 393105689 /nfs/dbraw/zinc/10/56/89/393105689.db2.gz SBUFHMLAZRFTRH-MHORFTMASA-N 2 2 294.483 3.283 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414749632 393055194 /nfs/dbraw/zinc/05/51/94/393055194.db2.gz WKTKMDINQYFPOH-QWHCGFSZSA-N 2 2 282.378 3.128 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414749632 393055199 /nfs/dbraw/zinc/05/51/99/393055199.db2.gz WKTKMDINQYFPOH-QWHCGFSZSA-N 2 2 282.378 3.128 20 0 CGADLP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071064 393128245 /nfs/dbraw/zinc/12/82/45/393128245.db2.gz SCVSUUIRGLTFCT-QGZVFWFLSA-N 2 2 299.393 3.119 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]CC(C)(C)c1ccccc1F ZINC000415073731 393129836 /nfs/dbraw/zinc/12/98/36/393129836.db2.gz BKOOCZWXEDDBMW-UHFFFAOYSA-N 2 2 266.404 3.081 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000415072024 393130353 /nfs/dbraw/zinc/13/03/53/393130353.db2.gz XKRWNUZJNWJBAE-KRWDZBQOSA-N 2 2 290.357 3.317 20 0 CGADLP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000415102860 393144770 /nfs/dbraw/zinc/14/47/70/393144770.db2.gz JFQAKQXNZZXUQH-CQSZACIVSA-N 2 2 298.352 3.079 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC000353245992 393217476 /nfs/dbraw/zinc/21/74/76/393217476.db2.gz DDMOKVSDIKLTSG-RYUDHWBXSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC000353245992 393217484 /nfs/dbraw/zinc/21/74/84/393217484.db2.gz DDMOKVSDIKLTSG-RYUDHWBXSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353248468 393218079 /nfs/dbraw/zinc/21/80/79/393218079.db2.gz KLHCVBPOFZICCR-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353248468 393218083 /nfs/dbraw/zinc/21/80/83/393218083.db2.gz KLHCVBPOFZICCR-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000269041522 393219419 /nfs/dbraw/zinc/21/94/19/393219419.db2.gz GTBDCVXBCVADIE-FRRDWIJNSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000269041522 393219423 /nfs/dbraw/zinc/21/94/23/393219423.db2.gz GTBDCVXBCVADIE-FRRDWIJNSA-N 2 2 264.438 3.332 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000354304263 393243480 /nfs/dbraw/zinc/24/34/80/393243480.db2.gz MLCMGBVARGFRFJ-CTASWTNQSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000354304263 393243487 /nfs/dbraw/zinc/24/34/87/393243487.db2.gz MLCMGBVARGFRFJ-CTASWTNQSA-N 2 2 252.446 3.274 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000352836712 393211967 /nfs/dbraw/zinc/21/19/67/393211967.db2.gz WYBIQKXXDJTJQC-HPBDAGMYSA-N 2 2 294.483 3.068 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274786406 393291089 /nfs/dbraw/zinc/29/10/89/393291089.db2.gz QGQDNANIYWISQJ-LBPRGKRZSA-N 2 2 275.783 3.332 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000278261901 393317705 /nfs/dbraw/zinc/31/77/05/393317705.db2.gz NTLNXBXCRBEXLL-IAGOWNOFSA-N 2 2 269.392 3.357 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777842 393325413 /nfs/dbraw/zinc/32/54/13/393325413.db2.gz XCTQELCBFIDILP-DOTOQJQBSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777842 393325419 /nfs/dbraw/zinc/32/54/19/393325419.db2.gz XCTQELCBFIDILP-DOTOQJQBSA-N 2 2 269.392 3.070 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334875 393392830 /nfs/dbraw/zinc/39/28/30/393392830.db2.gz WCJXQRVKTNSAMG-BCVKRFQSSA-N 2 2 290.373 3.037 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+](C)C)CC1)CC3 ZINC000417355439 393349444 /nfs/dbraw/zinc/34/94/44/393349444.db2.gz NPBZCHMRGSOAQA-CQSZACIVSA-N 2 2 297.446 3.017 20 0 CGADLP CSC1(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134001 393360566 /nfs/dbraw/zinc/36/05/66/393360566.db2.gz YADNOFUUIUSZFO-KGLIPLIRSA-N 2 2 279.453 3.052 20 0 CGADLP CSC1(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134001 393360568 /nfs/dbraw/zinc/36/05/68/393360568.db2.gz YADNOFUUIUSZFO-KGLIPLIRSA-N 2 2 279.453 3.052 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000420381187 393480697 /nfs/dbraw/zinc/48/06/97/393480697.db2.gz YZOADQVCZRFQOX-JUFZMCDQSA-N 2 2 266.816 3.377 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCC2)o1 ZINC000427872790 393458019 /nfs/dbraw/zinc/45/80/19/393458019.db2.gz DFJONGWISPSCHC-RHSMWYFYSA-N 2 2 285.391 3.230 20 0 CGADLP CC[N@H+](Cc1c(Cl)cccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000420304773 393457946 /nfs/dbraw/zinc/45/79/46/393457946.db2.gz FRVCNEYEZGRNDW-CYBMUJFWSA-N 2 2 296.842 3.313 20 0 CGADLP CC[N@@H+](Cc1c(Cl)cccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000420304773 393457953 /nfs/dbraw/zinc/45/79/53/393457953.db2.gz FRVCNEYEZGRNDW-CYBMUJFWSA-N 2 2 296.842 3.313 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429425380 393469674 /nfs/dbraw/zinc/46/96/74/393469674.db2.gz DTUBAMQZFRZWRE-NJAFHUGGSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429425380 393469682 /nfs/dbraw/zinc/46/96/82/393469682.db2.gz DTUBAMQZFRZWRE-NJAFHUGGSA-N 2 2 299.462 3.214 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000420352430 393472549 /nfs/dbraw/zinc/47/25/49/393472549.db2.gz AEJGBEDKBBGOGH-CQSZACIVSA-N 2 2 293.480 3.278 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420357223 393473330 /nfs/dbraw/zinc/47/33/30/393473330.db2.gz DMCYZALRZROPOL-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420357223 393473333 /nfs/dbraw/zinc/47/33/33/393473333.db2.gz DMCYZALRZROPOL-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC[NH3+])c1 ZINC000420378671 393478241 /nfs/dbraw/zinc/47/82/41/393478241.db2.gz UOIDPADJGDGKCN-RTBURBONSA-N 2 2 296.414 3.185 20 0 CGADLP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CC[NH3+])c1 ZINC000420378671 393478245 /nfs/dbraw/zinc/47/82/45/393478245.db2.gz UOIDPADJGDGKCN-RTBURBONSA-N 2 2 296.414 3.185 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672518 393411226 /nfs/dbraw/zinc/41/12/26/393411226.db2.gz UDDYYWKOBOLFCV-DLKVLKDVSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672518 393411230 /nfs/dbraw/zinc/41/12/30/393411230.db2.gz UDDYYWKOBOLFCV-DLKVLKDVSA-N 2 2 278.827 3.126 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000488349499 393492351 /nfs/dbraw/zinc/49/23/51/393492351.db2.gz DVQCMYWYBIRQEQ-JQFCIGGWSA-N 2 2 260.425 3.097 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000488447410 393516983 /nfs/dbraw/zinc/51/69/83/393516983.db2.gz JBKYGVLPMKRMGX-OFQRWUPVSA-N 2 2 260.425 3.361 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000358387350 393525348 /nfs/dbraw/zinc/52/53/48/393525348.db2.gz BJDBYPXTWUVTJA-BYCMXARLSA-N 2 2 294.826 3.093 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000430574193 393578138 /nfs/dbraw/zinc/57/81/38/393578138.db2.gz NKYZUKLGIDTFFC-CYBMUJFWSA-N 2 2 273.207 3.210 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666759652 542813889 /nfs/dbraw/zinc/81/38/89/542813889.db2.gz FCRMNMHLHNMGBU-CYBMUJFWSA-N 2 2 291.826 3.495 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000491304954 393678666 /nfs/dbraw/zinc/67/86/66/393678666.db2.gz LLBWZBVEBUYTLG-KRWDZBQOSA-N 2 2 292.492 3.489 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964461 393625956 /nfs/dbraw/zinc/62/59/56/393625956.db2.gz RZUVRQRIRPDUSA-BBRMVZONSA-N 2 2 282.391 3.032 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964461 393625960 /nfs/dbraw/zinc/62/59/60/393625960.db2.gz RZUVRQRIRPDUSA-BBRMVZONSA-N 2 2 282.391 3.032 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085792 393631629 /nfs/dbraw/zinc/63/16/29/393631629.db2.gz FTXNLXFIDSDIEE-QAPCUYQASA-N 2 2 283.419 3.378 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085792 393631635 /nfs/dbraw/zinc/63/16/35/393631635.db2.gz FTXNLXFIDSDIEE-QAPCUYQASA-N 2 2 283.419 3.378 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085787 393631777 /nfs/dbraw/zinc/63/17/77/393631777.db2.gz FTXNLXFIDSDIEE-CRAIPNDOSA-N 2 2 283.419 3.378 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490085787 393631780 /nfs/dbraw/zinc/63/17/80/393631780.db2.gz FTXNLXFIDSDIEE-CRAIPNDOSA-N 2 2 283.419 3.378 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000432787971 393639861 /nfs/dbraw/zinc/63/98/61/393639861.db2.gz JHUVQCAARFCFDE-AWEZNQCLSA-N 2 2 289.398 3.223 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000432787971 393639866 /nfs/dbraw/zinc/63/98/66/393639866.db2.gz JHUVQCAARFCFDE-AWEZNQCLSA-N 2 2 289.398 3.223 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000361013022 393641706 /nfs/dbraw/zinc/64/17/06/393641706.db2.gz LVUDEUKUKPOTNK-WMZOPIPTSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000361013022 393641709 /nfs/dbraw/zinc/64/17/09/393641709.db2.gz LVUDEUKUKPOTNK-WMZOPIPTSA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422845652 393644706 /nfs/dbraw/zinc/64/47/06/393644706.db2.gz OMMHGGPLLGUMKW-KKUMJFAQSA-N 2 2 294.439 3.483 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422953025 393647791 /nfs/dbraw/zinc/64/77/91/393647791.db2.gz DTSLWPKGDFJHEM-KSZLIROESA-N 2 2 294.398 3.471 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186063 393652907 /nfs/dbraw/zinc/65/29/07/393652907.db2.gz JYHOEUSQXAEBTO-PBHICJAKSA-N 2 2 288.435 3.365 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423163195 393653802 /nfs/dbraw/zinc/65/38/02/393653802.db2.gz VESJCFPPDSNXQF-XLNGHYISSA-N 2 2 288.435 3.409 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423258833 393655993 /nfs/dbraw/zinc/65/59/93/393655993.db2.gz CPAHVLJSHKJCJJ-OCCSQVGLSA-N 2 2 260.381 3.457 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423264712 393657044 /nfs/dbraw/zinc/65/70/44/393657044.db2.gz QERXPKOOSGMGBB-HIFRSBDPSA-N 2 2 271.408 3.259 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423276244 393658975 /nfs/dbraw/zinc/65/89/75/393658975.db2.gz MVRGMQMQKMHCJF-OLZOCXBDSA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423484568 393670202 /nfs/dbraw/zinc/67/02/02/393670202.db2.gz YPHOYWLXSCAMMZ-CMPLNLGQSA-N 2 2 273.207 3.308 20 0 CGADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504980 393759787 /nfs/dbraw/zinc/75/97/87/393759787.db2.gz ZNRKERYHSGQGII-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504980 393759792 /nfs/dbraw/zinc/75/97/92/393759792.db2.gz ZNRKERYHSGQGII-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000666946445 542827108 /nfs/dbraw/zinc/82/71/08/542827108.db2.gz CRTQLTNWMHXARP-CAVOSLQRSA-N 2 2 296.817 3.266 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000443848985 393774821 /nfs/dbraw/zinc/77/48/21/393774821.db2.gz CECVASMJBFADDC-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494891822 393777088 /nfs/dbraw/zinc/77/70/88/393777088.db2.gz KTRWNZDFLLEVDS-IIDMSEBBSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494891822 393777089 /nfs/dbraw/zinc/77/70/89/393777089.db2.gz KTRWNZDFLLEVDS-IIDMSEBBSA-N 2 2 286.463 3.457 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501868169 393863845 /nfs/dbraw/zinc/86/38/45/393863845.db2.gz BPIASSPKEZMDME-ZWKOTPCHSA-N 2 2 272.436 3.398 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1cccnc1 ZINC000447590138 393865802 /nfs/dbraw/zinc/86/58/02/393865802.db2.gz AHHQFSVFIFCLAU-MSOLQXFVSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1cccnc1 ZINC000447590138 393865805 /nfs/dbraw/zinc/86/58/05/393865805.db2.gz AHHQFSVFIFCLAU-MSOLQXFVSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000449399794 393880217 /nfs/dbraw/zinc/88/02/17/393880217.db2.gz DKOPRFLIMWSCDP-UBDQQSCGSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000449399794 393880222 /nfs/dbraw/zinc/88/02/22/393880222.db2.gz DKOPRFLIMWSCDP-UBDQQSCGSA-N 2 2 272.436 3.110 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502907035 393887723 /nfs/dbraw/zinc/88/77/23/393887723.db2.gz KWYONTXMTSPCOX-MSOLQXFVSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502907035 393887729 /nfs/dbraw/zinc/88/77/29/393887729.db2.gz KWYONTXMTSPCOX-MSOLQXFVSA-N 2 2 296.499 3.247 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)C)[C@@H](C)C1 ZINC000503920949 393909080 /nfs/dbraw/zinc/90/90/80/393909080.db2.gz QCMSIEYGJFLMPW-JQFCIGGWSA-N 2 2 278.415 3.453 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)C)[C@@H](C)C1 ZINC000503920949 393909084 /nfs/dbraw/zinc/90/90/84/393909084.db2.gz QCMSIEYGJFLMPW-JQFCIGGWSA-N 2 2 278.415 3.453 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000449587184 393914633 /nfs/dbraw/zinc/91/46/33/393914633.db2.gz NXEHEUBFBOROQO-INIZCTEOSA-N 2 2 278.440 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000449587184 393914638 /nfs/dbraw/zinc/91/46/38/393914638.db2.gz NXEHEUBFBOROQO-INIZCTEOSA-N 2 2 278.440 3.052 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996885 542834108 /nfs/dbraw/zinc/83/41/08/542834108.db2.gz KJQYYZTZHNKSBC-CYBMUJFWSA-N 2 2 282.790 3.243 20 0 CGADLP CO[C@H]1C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635860 393930748 /nfs/dbraw/zinc/93/07/48/393930748.db2.gz VCFCGLPRMDZRGB-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@H]1C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635860 393930752 /nfs/dbraw/zinc/93/07/52/393930752.db2.gz VCFCGLPRMDZRGB-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000450343844 393994742 /nfs/dbraw/zinc/99/47/42/393994742.db2.gz ZQHBSHCZFFCEEM-OAHLLOKOSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000450343844 393994746 /nfs/dbraw/zinc/99/47/46/393994746.db2.gz ZQHBSHCZFFCEEM-OAHLLOKOSA-N 2 2 252.446 3.371 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000453080379 394164369 /nfs/dbraw/zinc/16/43/69/394164369.db2.gz LMWCQKGTOIBWDU-JKSUJKDBSA-N 2 2 294.487 3.310 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cs1 ZINC000453091601 394167688 /nfs/dbraw/zinc/16/76/88/394167688.db2.gz RPNKJFQJCNQQFB-ZDUSSCGKSA-N 2 2 289.448 3.483 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C1CC1)C1CCCC1)C1CC1 ZINC000453103058 394171310 /nfs/dbraw/zinc/17/13/10/394171310.db2.gz ZCJPAJJBBLEXEK-MRXNPFEDSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C1CC1)C1CCCC1)C1CC1 ZINC000453103058 394171313 /nfs/dbraw/zinc/17/13/13/394171313.db2.gz ZCJPAJJBBLEXEK-MRXNPFEDSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1C ZINC000667493404 542875892 /nfs/dbraw/zinc/87/58/92/542875892.db2.gz QQSNXEAIZUSCHA-INIZCTEOSA-N 2 2 273.355 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1C ZINC000667493404 542875894 /nfs/dbraw/zinc/87/58/94/542875894.db2.gz QQSNXEAIZUSCHA-INIZCTEOSA-N 2 2 273.355 3.205 20 0 CGADLP FC1(F)CC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453581693 394250315 /nfs/dbraw/zinc/25/03/15/394250315.db2.gz ASDLDQZNUUTWBY-UHFFFAOYSA-N 2 2 291.345 3.397 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1C ZINC000667493544 542876461 /nfs/dbraw/zinc/87/64/61/542876461.db2.gz WCRBKWCQCYUSJG-JTQLQIEISA-N 2 2 279.334 3.200 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1C ZINC000667493544 542876464 /nfs/dbraw/zinc/87/64/64/542876464.db2.gz WCRBKWCQCYUSJG-JTQLQIEISA-N 2 2 279.334 3.200 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667589827 542895128 /nfs/dbraw/zinc/89/51/28/542895128.db2.gz DQWIFGRHSFKORP-MRXNPFEDSA-N 2 2 285.391 3.074 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667589827 542895129 /nfs/dbraw/zinc/89/51/29/542895129.db2.gz DQWIFGRHSFKORP-MRXNPFEDSA-N 2 2 285.391 3.074 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccccc3C)CC2)n1C ZINC000667599605 542895705 /nfs/dbraw/zinc/89/57/05/542895705.db2.gz XXQUQXOVUJSQHJ-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1C ZINC000667641852 542902178 /nfs/dbraw/zinc/90/21/78/542902178.db2.gz FVDPBMYHXYEKTK-MRXNPFEDSA-N 2 2 259.397 3.051 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1C ZINC000667641852 542902182 /nfs/dbraw/zinc/90/21/82/542902182.db2.gz FVDPBMYHXYEKTK-MRXNPFEDSA-N 2 2 259.397 3.051 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1c1ccccc1 ZINC000667670382 542911915 /nfs/dbraw/zinc/91/19/15/542911915.db2.gz MOWOJDACPOOWJQ-CRAIPNDOSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1c1ccccc1 ZINC000667670382 542911917 /nfs/dbraw/zinc/91/19/17/542911917.db2.gz MOWOJDACPOOWJQ-CRAIPNDOSA-N 2 2 295.430 3.455 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)n1C ZINC000667683646 542915187 /nfs/dbraw/zinc/91/51/87/542915187.db2.gz WYQLMLUEATYSOF-WFASDCNBSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)n1C ZINC000667683646 542915189 /nfs/dbraw/zinc/91/51/89/542915189.db2.gz WYQLMLUEATYSOF-WFASDCNBSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc21 ZINC000667705315 542920259 /nfs/dbraw/zinc/92/02/59/542920259.db2.gz AZSVEQKPAOZOIL-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705315 542920261 /nfs/dbraw/zinc/92/02/61/542920261.db2.gz AZSVEQKPAOZOIL-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc21 ZINC000667705315 542920264 /nfs/dbraw/zinc/92/02/64/542920264.db2.gz AZSVEQKPAOZOIL-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc21 ZINC000667705315 542920266 /nfs/dbraw/zinc/92/02/66/542920266.db2.gz AZSVEQKPAOZOIL-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]2C ZINC000667963038 542950534 /nfs/dbraw/zinc/95/05/34/542950534.db2.gz AERFQOJNNBAKJS-CHWSQXEVSA-N 2 2 299.418 3.245 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]2C ZINC000667963038 542950536 /nfs/dbraw/zinc/95/05/36/542950536.db2.gz AERFQOJNNBAKJS-CHWSQXEVSA-N 2 2 299.418 3.245 20 0 CGADLP Cc1cccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972319 542951617 /nfs/dbraw/zinc/95/16/17/542951617.db2.gz MKJXLIOZTFUXFG-INIZCTEOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1cccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972319 542951619 /nfs/dbraw/zinc/95/16/19/542951619.db2.gz MKJXLIOZTFUXFG-INIZCTEOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667971755 542951763 /nfs/dbraw/zinc/95/17/63/542951763.db2.gz ZGIQTOKQPQJURY-MRXNPFEDSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667971755 542951766 /nfs/dbraw/zinc/95/17/66/542951766.db2.gz ZGIQTOKQPQJURY-MRXNPFEDSA-N 2 2 281.403 3.127 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969125 542952123 /nfs/dbraw/zinc/95/21/23/542952123.db2.gz DNILQVHKDZJQAH-UGSOOPFHSA-N 2 2 299.418 3.320 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969125 542952125 /nfs/dbraw/zinc/95/21/25/542952125.db2.gz DNILQVHKDZJQAH-UGSOOPFHSA-N 2 2 299.418 3.320 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2Cc3cc(C)ccc3CC2(C)C)n1C ZINC000668195457 542986078 /nfs/dbraw/zinc/98/60/78/542986078.db2.gz JODSWHVPUGWVFS-UHFFFAOYSA-N 2 2 283.419 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2Cc3cc(C)ccc3CC2(C)C)n1C ZINC000668195457 542986082 /nfs/dbraw/zinc/98/60/82/542986082.db2.gz JODSWHVPUGWVFS-UHFFFAOYSA-N 2 2 283.419 3.374 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458210 543015421 /nfs/dbraw/zinc/01/54/21/543015421.db2.gz CJOAFJLDYMSKSI-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458210 543015423 /nfs/dbraw/zinc/01/54/23/543015423.db2.gz CJOAFJLDYMSKSI-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730707 543182613 /nfs/dbraw/zinc/18/26/13/543182613.db2.gz DYKZQUXTIUPAMH-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730707 543182614 /nfs/dbraw/zinc/18/26/14/543182614.db2.gz DYKZQUXTIUPAMH-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554946 543216446 /nfs/dbraw/zinc/21/64/46/543216446.db2.gz IGJOXQOMKWDAKI-SJLPKXTDSA-N 2 2 280.371 3.222 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554946 543216450 /nfs/dbraw/zinc/21/64/50/543216450.db2.gz IGJOXQOMKWDAKI-SJLPKXTDSA-N 2 2 280.371 3.222 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000387935986 397690273 /nfs/dbraw/zinc/69/02/73/397690273.db2.gz CIIPKIAUDBOTDF-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000387935986 397690274 /nfs/dbraw/zinc/69/02/74/397690274.db2.gz CIIPKIAUDBOTDF-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000650709939 397898348 /nfs/dbraw/zinc/89/83/48/397898348.db2.gz YGZNUYZHYZJLNL-LRDDRELGSA-N 2 2 296.817 3.348 20 0 CGADLP Cc1cc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000650709939 397898349 /nfs/dbraw/zinc/89/83/49/397898349.db2.gz YGZNUYZHYZJLNL-LRDDRELGSA-N 2 2 296.817 3.348 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768045 543363052 /nfs/dbraw/zinc/36/30/52/543363052.db2.gz WGBPKUSPNKEWEQ-BZSNNMDCSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675768045 543363054 /nfs/dbraw/zinc/36/30/54/543363054.db2.gz WGBPKUSPNKEWEQ-BZSNNMDCSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)[NH+](C)C ZINC000675728553 543358202 /nfs/dbraw/zinc/35/82/02/543358202.db2.gz JINAZUMKRNEPKA-CVEARBPZSA-N 2 2 274.452 3.427 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000675731953 543358370 /nfs/dbraw/zinc/35/83/70/543358370.db2.gz WMEFSRQZYNHJQH-KRWDZBQOSA-N 2 2 258.409 3.213 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234502 543498136 /nfs/dbraw/zinc/49/81/36/543498136.db2.gz GSGKIRBGSBSQLW-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234502 543498137 /nfs/dbraw/zinc/49/81/37/543498137.db2.gz GSGKIRBGSBSQLW-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678302971 543513052 /nfs/dbraw/zinc/51/30/52/543513052.db2.gz PGGUUGWBFXGFFG-SIXLDLHFSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678302971 543513054 /nfs/dbraw/zinc/51/30/54/543513054.db2.gz PGGUUGWBFXGFFG-SIXLDLHFSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CCCCO1 ZINC000678302256 543512854 /nfs/dbraw/zinc/51/28/54/543512854.db2.gz CTROGSAXUSHNOM-HNNXBMFYSA-N 2 2 287.407 3.019 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]C1CCCCCC1 ZINC000043596114 296621987 /nfs/dbraw/zinc/62/19/87/296621987.db2.gz DNEYUSOIRYGMEL-KRWDZBQOSA-N 2 2 258.409 3.186 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554049624 289253554 /nfs/dbraw/zinc/25/35/54/289253554.db2.gz URAAGTZCKNPTSY-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554049624 289253556 /nfs/dbraw/zinc/25/35/56/289253556.db2.gz URAAGTZCKNPTSY-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C12CCCCC2 ZINC000224628077 286282923 /nfs/dbraw/zinc/28/29/23/286282923.db2.gz GIWRJBPMSAMCPS-DJIMGWMZSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C12CCCCC2 ZINC000224628077 286282924 /nfs/dbraw/zinc/28/29/24/286282924.db2.gz GIWRJBPMSAMCPS-DJIMGWMZSA-N 2 2 294.483 3.187 20 0 CGADLP CCSCC[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000276157327 286699121 /nfs/dbraw/zinc/69/91/21/286699121.db2.gz FPGOLNMGECZDKR-UKRRQHHQSA-N 2 2 266.454 3.021 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000359632732 298383988 /nfs/dbraw/zinc/38/39/88/298383988.db2.gz BDKVMYRPDXBALY-NEPJUHHUSA-N 2 2 298.418 3.134 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000346477504 286877310 /nfs/dbraw/zinc/87/73/10/286877310.db2.gz HUOFIFJOJNMSBF-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337506589 287014027 /nfs/dbraw/zinc/01/40/27/287014027.db2.gz FYBAVMCRPWKTLN-BRWVUGGUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337506589 287014031 /nfs/dbraw/zinc/01/40/31/287014031.db2.gz FYBAVMCRPWKTLN-BRWVUGGUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425496 165203797 /nfs/dbraw/zinc/20/37/97/165203797.db2.gz UPCIYFKHZVWPNJ-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425496 165203803 /nfs/dbraw/zinc/20/38/03/165203803.db2.gz UPCIYFKHZVWPNJ-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089425496 165203806 /nfs/dbraw/zinc/20/38/06/165203806.db2.gz UPCIYFKHZVWPNJ-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089425496 165203810 /nfs/dbraw/zinc/20/38/10/165203810.db2.gz UPCIYFKHZVWPNJ-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000091960365 165279519 /nfs/dbraw/zinc/27/95/19/165279519.db2.gz VKGAAKDGQLTDEG-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000091960365 165279523 /nfs/dbraw/zinc/27/95/23/165279523.db2.gz VKGAAKDGQLTDEG-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000091307955 287107335 /nfs/dbraw/zinc/10/73/35/287107335.db2.gz BDXAXYNSWJXPJI-DLBZAZTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000091307955 287107336 /nfs/dbraw/zinc/10/73/36/287107336.db2.gz BDXAXYNSWJXPJI-DLBZAZTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)n2c1 ZINC000092485942 165296765 /nfs/dbraw/zinc/29/67/65/165296765.db2.gz AWWSPWHAQPRTCL-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)n2c1 ZINC000092485942 165296769 /nfs/dbraw/zinc/29/67/69/165296769.db2.gz AWWSPWHAQPRTCL-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP CC[C@@H](C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000093061193 165320849 /nfs/dbraw/zinc/32/08/49/165320849.db2.gz NRVJBBFJFPMPJK-CQSZACIVSA-N 2 2 257.381 3.067 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1[NH3+] ZINC000094338939 165350930 /nfs/dbraw/zinc/35/09/30/165350930.db2.gz WQUKMFBDTAJSPC-SKDRFNHKSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1[NH3+] ZINC000094338939 165350931 /nfs/dbraw/zinc/35/09/31/165350931.db2.gz WQUKMFBDTAJSPC-SKDRFNHKSA-N 2 2 273.207 3.163 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C)o1 ZINC000102781389 165417310 /nfs/dbraw/zinc/41/73/10/165417310.db2.gz ZEFUHFKFVSTFMN-UHFFFAOYSA-N 2 2 252.402 3.190 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262038074 165850199 /nfs/dbraw/zinc/85/01/99/165850199.db2.gz OUQDWEVFBDIXHJ-KSSFIOAISA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262038074 165850202 /nfs/dbraw/zinc/85/02/02/165850202.db2.gz OUQDWEVFBDIXHJ-KSSFIOAISA-N 2 2 266.388 3.133 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCC2CC2)n1-c1ccccc1 ZINC000122175115 287207157 /nfs/dbraw/zinc/20/71/57/287207157.db2.gz KMQOZOMHEBFGLB-UHFFFAOYSA-N 2 2 269.392 3.461 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000123007841 287215081 /nfs/dbraw/zinc/21/50/81/287215081.db2.gz IHXHEHDECQIOFG-KKUMJFAQSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000123007841 287215080 /nfs/dbraw/zinc/21/50/80/287215080.db2.gz IHXHEHDECQIOFG-KKUMJFAQSA-N 2 2 258.409 3.271 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(Cl)c1F ZINC000125060898 287239272 /nfs/dbraw/zinc/23/92/72/287239272.db2.gz BKKFFTXUDRDNQK-UHFFFAOYSA-N 2 2 272.795 3.157 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000284461649 196062733 /nfs/dbraw/zinc/06/27/33/196062733.db2.gz TXGSCBAVNZQWMG-MJSCVDMRSA-N 2 2 299.418 3.062 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126926 171011960 /nfs/dbraw/zinc/01/19/60/171011960.db2.gz ALMZBPXFLIGRQG-OAHLLOKOSA-N 2 2 276.424 3.222 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2ccccc2F)CC1 ZINC000020146327 171032500 /nfs/dbraw/zinc/03/25/00/171032500.db2.gz HLZJWXBEXLCIKP-UHFFFAOYSA-N 2 2 264.388 3.037 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000020146220 171032620 /nfs/dbraw/zinc/03/26/20/171032620.db2.gz LCZWEMYHIYFZLH-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506139 171228306 /nfs/dbraw/zinc/22/83/06/171228306.db2.gz JZGWBVOKABYYGW-AWEZNQCLSA-N 2 2 257.381 3.186 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506224 171228429 /nfs/dbraw/zinc/22/84/29/171228429.db2.gz NXMRXNUCUDAVJR-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020546470 171244085 /nfs/dbraw/zinc/24/40/85/171244085.db2.gz NYAOMWGZFKMBDF-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000020967369 171282280 /nfs/dbraw/zinc/28/22/80/171282280.db2.gz GGRCBDXYRQRLCM-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000020967369 171282281 /nfs/dbraw/zinc/28/22/81/171282281.db2.gz GGRCBDXYRQRLCM-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+](C)C ZINC000021060331 171296802 /nfs/dbraw/zinc/29/68/02/171296802.db2.gz ITHGRDQDWPWZJM-WBVHZDCISA-N 2 2 262.441 3.356 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035275027 172095740 /nfs/dbraw/zinc/09/57/40/172095740.db2.gz BADRNQIYHKGDHY-AWEZNQCLSA-N 2 2 257.381 3.185 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037167196 173001897 /nfs/dbraw/zinc/00/18/97/173001897.db2.gz JCUZKDMXNGHFKM-NVXWUHKLSA-N 2 2 292.467 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037213777 173034518 /nfs/dbraw/zinc/03/45/18/173034518.db2.gz RZTGZWGRXLWLAI-DOTOQJQBSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037213777 173034521 /nfs/dbraw/zinc/03/45/21/173034521.db2.gz RZTGZWGRXLWLAI-DOTOQJQBSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000037256154 173067020 /nfs/dbraw/zinc/06/70/20/173067020.db2.gz JDHFKCSITBHYND-JTQLQIEISA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000038029064 174018625 /nfs/dbraw/zinc/01/86/25/174018625.db2.gz XHLLMZJZSFSMND-YJBOKZPZSA-N 2 2 272.436 3.008 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000039781800 174173602 /nfs/dbraw/zinc/17/36/02/174173602.db2.gz KMYFPZAKQAEMFQ-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000039781800 174173604 /nfs/dbraw/zinc/17/36/04/174173604.db2.gz KMYFPZAKQAEMFQ-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040593362 174347884 /nfs/dbraw/zinc/34/78/84/174347884.db2.gz JTELOEQYWMYCBQ-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040593362 174347885 /nfs/dbraw/zinc/34/78/85/174347885.db2.gz JTELOEQYWMYCBQ-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP c1csc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000041119761 174485902 /nfs/dbraw/zinc/48/59/02/174485902.db2.gz JFNYPHZOHMDIQL-OAHLLOKOSA-N 2 2 275.421 3.466 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000043324787 175006979 /nfs/dbraw/zinc/00/69/79/175006979.db2.gz HGIKXROEJFYXGI-HIFRSBDPSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000043324637 175007256 /nfs/dbraw/zinc/00/72/56/175007256.db2.gz POPZFCWHSHRVMV-MWLCHTKSSA-N 2 2 273.207 3.396 20 0 CGADLP CC(C)(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326753 175007928 /nfs/dbraw/zinc/00/79/28/175007928.db2.gz CKIYIQPHLJQCTK-LSDHHAIUSA-N 2 2 264.388 3.255 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000128108812 287303827 /nfs/dbraw/zinc/30/38/27/287303827.db2.gz SRRHPYBITXZLEM-QZTJIDSGSA-N 2 2 292.467 3.330 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128210108 287306229 /nfs/dbraw/zinc/30/62/29/287306229.db2.gz DBMVBFKXCIYCFV-QGZVFWFLSA-N 2 2 292.386 3.035 20 0 CGADLP c1[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000077412224 177264858 /nfs/dbraw/zinc/26/48/58/177264858.db2.gz CMAADLFYHIFHIH-NVXWUHKLSA-N 2 2 269.392 3.301 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000049277394 416468522 /nfs/dbraw/zinc/46/85/22/416468522.db2.gz CHLSAJOHOYPGON-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000049277394 416468530 /nfs/dbraw/zinc/46/85/30/416468530.db2.gz CHLSAJOHOYPGON-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000342734856 416541315 /nfs/dbraw/zinc/54/13/15/416541315.db2.gz OQNSFAZSXOVBBL-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000342734856 416541318 /nfs/dbraw/zinc/54/13/18/416541318.db2.gz OQNSFAZSXOVBBL-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000129734690 287337972 /nfs/dbraw/zinc/33/79/72/287337972.db2.gz CNLVVFWOHYISOL-HNNXBMFYSA-N 2 2 264.800 3.013 20 0 CGADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584652 543650045 /nfs/dbraw/zinc/65/00/45/543650045.db2.gz XNBRRXSRCVNYDU-RYUDHWBXSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584652 543650046 /nfs/dbraw/zinc/65/00/46/543650046.db2.gz XNBRRXSRCVNYDU-RYUDHWBXSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H](CCCCO)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000679328772 543619750 /nfs/dbraw/zinc/61/97/50/543619750.db2.gz SNRKSJXOMSODMH-LSDHHAIUSA-N 2 2 296.480 3.026 20 0 CGADLP FC1(F)CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680132220 543686601 /nfs/dbraw/zinc/68/66/01/543686601.db2.gz RTYOYZNZRPTJAM-JTQLQIEISA-N 2 2 283.347 3.211 20 0 CGADLP CC[N@H+](Cc1ccoc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680328507 543697204 /nfs/dbraw/zinc/69/72/04/543697204.db2.gz CLCPZHSWZYXZSY-UHFFFAOYSA-N 2 2 296.374 3.191 20 0 CGADLP CC[N@@H+](Cc1ccoc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000680328507 543697207 /nfs/dbraw/zinc/69/72/07/543697207.db2.gz CLCPZHSWZYXZSY-UHFFFAOYSA-N 2 2 296.374 3.191 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818046 543662684 /nfs/dbraw/zinc/66/26/84/543662684.db2.gz RELBQETTZWMWFD-QFBILLFUSA-N 2 2 295.430 3.325 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818046 543662686 /nfs/dbraw/zinc/66/26/86/543662686.db2.gz RELBQETTZWMWFD-QFBILLFUSA-N 2 2 295.430 3.325 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1F ZINC000680335758 543699759 /nfs/dbraw/zinc/69/97/59/543699759.db2.gz ZXTLJAQAANPVKT-BXUZGUMPSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1F ZINC000680335758 543699761 /nfs/dbraw/zinc/69/97/61/543699761.db2.gz ZXTLJAQAANPVKT-BXUZGUMPSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681388835 543785242 /nfs/dbraw/zinc/78/52/42/543785242.db2.gz BYZFQRSKOBYRKJ-DGCLKSJQSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681388835 543785245 /nfs/dbraw/zinc/78/52/45/543785245.db2.gz BYZFQRSKOBYRKJ-DGCLKSJQSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000681398023 543786828 /nfs/dbraw/zinc/78/68/28/543786828.db2.gz AITXQBWMEQIQGD-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000681398023 543786832 /nfs/dbraw/zinc/78/68/32/543786832.db2.gz AITXQBWMEQIQGD-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000682407103 543842410 /nfs/dbraw/zinc/84/24/10/543842410.db2.gz WZKYFSHXMICTHV-KDOFPFPSSA-N 2 2 284.403 3.173 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436017 543846136 /nfs/dbraw/zinc/84/61/36/543846136.db2.gz MBKJKRRPZSWWGF-UXLLHSPISA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436017 543846138 /nfs/dbraw/zinc/84/61/38/543846138.db2.gz MBKJKRRPZSWWGF-UXLLHSPISA-N 2 2 290.451 3.053 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000131422222 287379521 /nfs/dbraw/zinc/37/95/21/287379521.db2.gz YHSVZIJLGKSXSZ-NSHDSACASA-N 2 2 288.357 3.486 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000683705011 543934253 /nfs/dbraw/zinc/93/42/53/543934253.db2.gz IKRMRTDNXVRBSI-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000683705011 543934254 /nfs/dbraw/zinc/93/42/54/543934254.db2.gz IKRMRTDNXVRBSI-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)c[nH+]1 ZINC000683829677 543946211 /nfs/dbraw/zinc/94/62/11/543946211.db2.gz ITEPELJHOFYQSR-GOSISDBHSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)c[nH+]1 ZINC000683829677 543946214 /nfs/dbraw/zinc/94/62/14/543946214.db2.gz ITEPELJHOFYQSR-GOSISDBHSA-N 2 2 292.386 3.268 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000683939752 543956999 /nfs/dbraw/zinc/95/69/99/543956999.db2.gz LBNXPEYHTPWBBW-MRXNPFEDSA-N 2 2 283.419 3.482 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2[nH]1 ZINC000684022761 543961679 /nfs/dbraw/zinc/96/16/79/543961679.db2.gz RDYYSAYZUHSJEE-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2[nH]1 ZINC000684022761 543961682 /nfs/dbraw/zinc/96/16/82/543961682.db2.gz RDYYSAYZUHSJEE-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022761 543961684 /nfs/dbraw/zinc/96/16/84/543961684.db2.gz RDYYSAYZUHSJEE-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022761 543961686 /nfs/dbraw/zinc/96/16/86/543961686.db2.gz RDYYSAYZUHSJEE-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000132243517 287399985 /nfs/dbraw/zinc/39/99/85/287399985.db2.gz PWMIRVBRYQMDLM-QGZVFWFLSA-N 2 2 285.435 3.498 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCC(F)(F)C2)c[nH+]1 ZINC000684384700 543990195 /nfs/dbraw/zinc/99/01/95/543990195.db2.gz DLKHIMDKJWAACL-ZDUSSCGKSA-N 2 2 254.324 3.100 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000685426377 544068360 /nfs/dbraw/zinc/06/83/60/544068360.db2.gz NLGUZESJQPGUKP-NWDGAFQWSA-N 2 2 288.357 3.349 20 0 CGADLP C[N@H+](CC[NH2+]CC1Cc2ccccc2C1)Cc1ccccc1 ZINC000685840440 544100099 /nfs/dbraw/zinc/10/00/99/544100099.db2.gz LWTDKOSTHSUCII-UHFFFAOYSA-N 2 2 294.442 3.123 20 0 CGADLP C[N@@H+](CC[NH2+]CC1Cc2ccccc2C1)Cc1ccccc1 ZINC000685840440 544100101 /nfs/dbraw/zinc/10/01/01/544100101.db2.gz LWTDKOSTHSUCII-UHFFFAOYSA-N 2 2 294.442 3.123 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685931293 544109434 /nfs/dbraw/zinc/10/94/34/544109434.db2.gz KVWRPLQQLRFEGX-CYBMUJFWSA-N 2 2 278.444 3.306 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685931293 544109435 /nfs/dbraw/zinc/10/94/35/544109435.db2.gz KVWRPLQQLRFEGX-CYBMUJFWSA-N 2 2 278.444 3.306 20 0 CGADLP CC(C)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000653566403 419049427 /nfs/dbraw/zinc/04/94/27/419049427.db2.gz RGJRGBPMZBENGA-UHFFFAOYSA-N 2 2 261.413 3.415 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]1 ZINC000665238237 419089360 /nfs/dbraw/zinc/08/93/60/419089360.db2.gz UQODEEGWYQESHI-GJZGRUSLSA-N 2 2 258.365 3.053 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CCCC1 ZINC000665247412 419090664 /nfs/dbraw/zinc/09/06/64/419090664.db2.gz BCUDMRQHHRUAMU-QGZVFWFLSA-N 2 2 299.393 3.171 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244219 419091046 /nfs/dbraw/zinc/09/10/46/419091046.db2.gz JCHFISSZZUOCFI-GJZGRUSLSA-N 2 2 292.398 3.117 20 0 CGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000665252684 419094462 /nfs/dbraw/zinc/09/44/62/419094462.db2.gz WKJHQFSFBHNCOB-ZACQAIPSSA-N 2 2 270.420 3.054 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276390 419099847 /nfs/dbraw/zinc/09/98/47/419099847.db2.gz BNAUMYFIQYFOGD-KSTDHSDQSA-N 2 2 288.435 3.124 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277802 419100358 /nfs/dbraw/zinc/10/03/58/419100358.db2.gz MCRFCQQKLHFWSK-VEAWUBTESA-N 2 2 276.449 3.201 20 0 CGADLP C(C[N@@H+]1CC[C@@H](C2CCC2)C1)[NH+]1CC[C@H](C2CCC2)C1 ZINC000665288368 419106940 /nfs/dbraw/zinc/10/69/40/419106940.db2.gz KZOQCBCOYYPERH-HDICACEKSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@@H](C2CCC2)C1)[NH+]1CC[C@H](C2CCC2)C1 ZINC000665288368 419106944 /nfs/dbraw/zinc/10/69/44/419106944.db2.gz KZOQCBCOYYPERH-HDICACEKSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@@H+]1CC[C@H](C2CCC2)C1)[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665288368 419106948 /nfs/dbraw/zinc/10/69/48/419106948.db2.gz KZOQCBCOYYPERH-HDICACEKSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@H](C2CCC2)C1)[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665288368 419106951 /nfs/dbraw/zinc/10/69/51/419106951.db2.gz KZOQCBCOYYPERH-HDICACEKSA-N 2 2 276.468 3.230 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000655857614 419124921 /nfs/dbraw/zinc/12/49/21/419124921.db2.gz UNZDBNSUYNWGHS-HOTGVXAUSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000655857614 419124924 /nfs/dbraw/zinc/12/49/24/419124924.db2.gz UNZDBNSUYNWGHS-HOTGVXAUSA-N 2 2 278.465 3.471 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000665294527 419108783 /nfs/dbraw/zinc/10/87/83/419108783.db2.gz QLDIBYGOOLIVFP-JOYOIKCWSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000665296113 419108825 /nfs/dbraw/zinc/10/88/25/419108825.db2.gz MVSZBEAMYKTFSL-FZMZJTMJSA-N 2 2 254.805 3.235 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000665296346 419108905 /nfs/dbraw/zinc/10/89/05/419108905.db2.gz RHGMXSSCQPDRNO-WBMJQRKESA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000665295864 419109002 /nfs/dbraw/zinc/10/90/02/419109002.db2.gz KTBBFOSYTDHPAE-QAPCUYQASA-N 2 2 268.404 3.168 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653913250 419111428 /nfs/dbraw/zinc/11/14/28/419111428.db2.gz ZSEPUSYKWVWPFM-SJORKVTESA-N 2 2 299.418 3.032 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653913250 419111433 /nfs/dbraw/zinc/11/14/33/419111433.db2.gz ZSEPUSYKWVWPFM-SJORKVTESA-N 2 2 299.418 3.032 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000655842249 419115747 /nfs/dbraw/zinc/11/57/47/419115747.db2.gz GDISONKKYVLBCJ-AWEZNQCLSA-N 2 2 289.423 3.184 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847441 419118369 /nfs/dbraw/zinc/11/83/69/419118369.db2.gz BNIGEALPVHSEGG-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847441 419118371 /nfs/dbraw/zinc/11/83/71/419118371.db2.gz BNIGEALPVHSEGG-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848169 419118376 /nfs/dbraw/zinc/11/83/76/419118376.db2.gz GLVFTXIGCVMXEB-KZNAEPCWSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848169 419118379 /nfs/dbraw/zinc/11/83/79/419118379.db2.gz GLVFTXIGCVMXEB-KZNAEPCWSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847901 419118610 /nfs/dbraw/zinc/11/86/10/419118610.db2.gz FLLLRWIDJDPPLG-DJIMGWMZSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847901 419118613 /nfs/dbraw/zinc/11/86/13/419118613.db2.gz FLLLRWIDJDPPLG-DJIMGWMZSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000655848577 419118631 /nfs/dbraw/zinc/11/86/31/419118631.db2.gz IDEMITUPUXPLKD-CWRNSKLLSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000655848577 419118633 /nfs/dbraw/zinc/11/86/33/419118633.db2.gz IDEMITUPUXPLKD-CWRNSKLLSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848668 419118967 /nfs/dbraw/zinc/11/89/67/419118967.db2.gz JUSPRRCCGHJKPP-FRRDWIJNSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848668 419118970 /nfs/dbraw/zinc/11/89/70/419118970.db2.gz JUSPRRCCGHJKPP-FRRDWIJNSA-N 2 2 278.362 3.324 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2nsc3ccccc32)CC1 ZINC000659983182 419053372 /nfs/dbraw/zinc/05/33/72/419053372.db2.gz GJUIFTUXNYODLQ-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2nsc3ccccc32)CC1 ZINC000659983182 419053377 /nfs/dbraw/zinc/05/33/77/419053377.db2.gz GJUIFTUXNYODLQ-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000653674429 419068736 /nfs/dbraw/zinc/06/87/36/419068736.db2.gz DBDYBRXNNPVZSF-ZBFHGGJFSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674429 419068739 /nfs/dbraw/zinc/06/87/39/419068739.db2.gz DBDYBRXNNPVZSF-ZBFHGGJFSA-N 2 2 264.457 3.371 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655705106 419071662 /nfs/dbraw/zinc/07/16/62/419071662.db2.gz WAZHLWURTUVGLI-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC2CCCCC2)CC1 ZINC000653689927 419071743 /nfs/dbraw/zinc/07/17/43/419071743.db2.gz YPJWNQLXLCQWHP-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC2CCCCC2)CC1 ZINC000653689927 419071748 /nfs/dbraw/zinc/07/17/48/419071748.db2.gz YPJWNQLXLCQWHP-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078689 419073369 /nfs/dbraw/zinc/07/33/69/419073369.db2.gz YLKFKPOMWHVYAH-JKSUJKDBSA-N 2 2 291.439 3.184 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078689 419073371 /nfs/dbraw/zinc/07/33/71/419073371.db2.gz YLKFKPOMWHVYAH-JKSUJKDBSA-N 2 2 291.439 3.184 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854988 419123872 /nfs/dbraw/zinc/12/38/72/419123872.db2.gz BSRJNWXMTLINJL-QPLDTRMYSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854988 419123874 /nfs/dbraw/zinc/12/38/74/419123874.db2.gz BSRJNWXMTLINJL-QPLDTRMYSA-N 2 2 270.420 3.306 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH+]1 ZINC000660096022 419075575 /nfs/dbraw/zinc/07/55/75/419075575.db2.gz VJESRUXJGPEFQW-VHDGCEQUSA-N 2 2 259.397 3.025 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3nsc4ccccc34)CC2)[nH+]1 ZINC000660096086 419076535 /nfs/dbraw/zinc/07/65/35/419076535.db2.gz WRVROVIFPSHUDX-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656212027 419152387 /nfs/dbraw/zinc/15/23/87/419152387.db2.gz WYXUIMZNVURZDL-OTVXOJSOSA-N 2 2 269.392 3.295 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1)Cc1ccco1 ZINC000660548304 419159839 /nfs/dbraw/zinc/15/98/39/419159839.db2.gz KAHHAUNDKQIVHM-MUJYYYPQSA-N 2 2 276.424 3.079 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1)Cc1ccco1 ZINC000660548304 419159841 /nfs/dbraw/zinc/15/98/41/419159841.db2.gz KAHHAUNDKQIVHM-MUJYYYPQSA-N 2 2 276.424 3.079 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660548304 419159844 /nfs/dbraw/zinc/15/98/44/419159844.db2.gz KAHHAUNDKQIVHM-MUJYYYPQSA-N 2 2 276.424 3.079 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660548304 419159847 /nfs/dbraw/zinc/15/98/47/419159847.db2.gz KAHHAUNDKQIVHM-MUJYYYPQSA-N 2 2 276.424 3.079 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(Cl)c1)C2 ZINC000660653993 419178118 /nfs/dbraw/zinc/17/81/18/419178118.db2.gz XEXMBEGAXCSBLQ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(Cl)c1)C2 ZINC000660653993 419178119 /nfs/dbraw/zinc/17/81/19/419178119.db2.gz XEXMBEGAXCSBLQ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000660653993 419178121 /nfs/dbraw/zinc/17/81/21/419178121.db2.gz XEXMBEGAXCSBLQ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000660653993 419178122 /nfs/dbraw/zinc/17/81/22/419178122.db2.gz XEXMBEGAXCSBLQ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666082535 419188089 /nfs/dbraw/zinc/18/80/89/419188089.db2.gz IYLPOWVVJXXEDH-JSGCOSHPSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1cccc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000656648240 419191022 /nfs/dbraw/zinc/19/10/22/419191022.db2.gz RLIWPDRYVOEITL-UHFFFAOYSA-N 2 2 291.398 3.317 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000655859411 419125667 /nfs/dbraw/zinc/12/56/67/419125667.db2.gz KEFFVBFAQNPQEB-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000655859411 419125669 /nfs/dbraw/zinc/12/56/69/419125669.db2.gz KEFFVBFAQNPQEB-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126943 /nfs/dbraw/zinc/12/69/43/419126943.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126947 /nfs/dbraw/zinc/12/69/47/419126947.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126949 /nfs/dbraw/zinc/12/69/49/419126949.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318023 419126951 /nfs/dbraw/zinc/12/69/51/419126951.db2.gz UTCJYXGXWHPWAZ-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)cc1 ZINC000657295192 419245203 /nfs/dbraw/zinc/24/52/03/419245203.db2.gz KIIOMJMLWQBTBI-SFHVURJKSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)[nH]c2c1 ZINC000657394233 419269195 /nfs/dbraw/zinc/26/91/95/419269195.db2.gz LPWDSBGKTMWOQY-ACJLOTCBSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH]c2c1 ZINC000657394233 419269197 /nfs/dbraw/zinc/26/91/97/419269197.db2.gz LPWDSBGKTMWOQY-ACJLOTCBSA-N 2 2 283.419 3.049 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000657334286 419252667 /nfs/dbraw/zinc/25/26/67/419252667.db2.gz UHLXLAOTYVLDSC-BZUAXINKSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(F)cc3)CCC2)n1C ZINC000657343089 419255568 /nfs/dbraw/zinc/25/55/68/419255568.db2.gz WSNZIFXYZMFHFP-UHFFFAOYSA-N 2 2 273.355 3.037 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1Cl ZINC000657364718 419260072 /nfs/dbraw/zinc/26/00/72/419260072.db2.gz OPBAWOAQIBHWMM-JTQLQIEISA-N 2 2 293.773 3.473 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000661483213 419264555 /nfs/dbraw/zinc/26/45/55/419264555.db2.gz GUYCEQSGCQQPSZ-CJNGLKHVSA-N 2 2 264.388 3.207 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661483213 419264557 /nfs/dbraw/zinc/26/45/57/419264557.db2.gz GUYCEQSGCQQPSZ-CJNGLKHVSA-N 2 2 264.388 3.207 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Sc1ccccc1 ZINC000657379482 419264851 /nfs/dbraw/zinc/26/48/51/419264851.db2.gz YLJRZPYYCRJTHL-CYBMUJFWSA-N 2 2 287.432 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675205 419198032 /nfs/dbraw/zinc/19/80/32/419198032.db2.gz AOMSXQQMCZQZNP-DGCLKSJQSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675205 419198034 /nfs/dbraw/zinc/19/80/34/419198034.db2.gz AOMSXQQMCZQZNP-DGCLKSJQSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc21 ZINC000657390433 419267974 /nfs/dbraw/zinc/26/79/74/419267974.db2.gz XVHNIJZTJOAOST-UKRRQHHQSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc21 ZINC000657390433 419267978 /nfs/dbraw/zinc/26/79/78/419267978.db2.gz XVHNIJZTJOAOST-UKRRQHHQSA-N 2 2 283.419 3.191 20 0 CGADLP Clc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784496 419218828 /nfs/dbraw/zinc/21/88/28/419218828.db2.gz BIMVQHRZSDSBAC-GFCCVEGCSA-N 2 2 299.871 3.008 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccccc3)n2)CCCC1 ZINC000656788247 419219079 /nfs/dbraw/zinc/21/90/79/419219079.db2.gz GEOYMXFVRZVHAL-UHFFFAOYSA-N 2 2 287.432 3.171 20 0 CGADLP C[N@H+](Cc1cccc(C2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000656786452 419219894 /nfs/dbraw/zinc/21/98/94/419219894.db2.gz MPQYYBRRTFJLLN-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1cccc(C2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000656786452 419219897 /nfs/dbraw/zinc/21/98/97/419219897.db2.gz MPQYYBRRTFJLLN-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)c1 ZINC000656790129 419220490 /nfs/dbraw/zinc/22/04/90/419220490.db2.gz KCWCPFVFRQURRL-HOTGVXAUSA-N 2 2 290.407 3.123 20 0 CGADLP Cc1ccc(CC(C)(C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657494068 419293618 /nfs/dbraw/zinc/29/36/18/419293618.db2.gz KRWASDFSDSEKTL-UHFFFAOYSA-N 2 2 283.419 3.249 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527740 419298385 /nfs/dbraw/zinc/29/83/85/419298385.db2.gz YHFMILFZUXSOMV-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527740 419298388 /nfs/dbraw/zinc/29/83/88/419298388.db2.gz YHFMILFZUXSOMV-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000657526825 419298995 /nfs/dbraw/zinc/29/89/95/419298995.db2.gz MIAFXTTZQCFRGI-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000657526825 419298998 /nfs/dbraw/zinc/29/89/98/419298998.db2.gz MIAFXTTZQCFRGI-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657653120 419319287 /nfs/dbraw/zinc/31/92/87/419319287.db2.gz IBYCAWYEMHEIEI-YJBOKZPZSA-N 2 2 284.403 3.247 20 0 CGADLP CC[C@H](C)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657587789 419310393 /nfs/dbraw/zinc/31/03/93/419310393.db2.gz XIYAUNOUEZBUJE-LBPRGKRZSA-N 2 2 263.410 3.460 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657653120 419319290 /nfs/dbraw/zinc/31/92/90/419319290.db2.gz IBYCAWYEMHEIEI-YJBOKZPZSA-N 2 2 284.403 3.247 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3C)c[nH+]c12 ZINC000657616476 419314273 /nfs/dbraw/zinc/31/42/73/419314273.db2.gz JUWOUEYCTQJRPJ-KBXCAEBGSA-N 2 2 291.398 3.461 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccc(CC[NH+](C)C)cc1 ZINC000657407107 419271888 /nfs/dbraw/zinc/27/18/88/419271888.db2.gz HZUAXVZMVJTKRL-UHFFFAOYSA-N 2 2 286.423 3.180 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC(F)CC1 ZINC000661999443 419322255 /nfs/dbraw/zinc/32/22/55/419322255.db2.gz BVEXZRFGHNSDKA-QQFBHYJXSA-N 2 2 270.436 3.225 20 0 CGADLP CCOC1CCC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000657881670 419405136 /nfs/dbraw/zinc/40/51/36/419405136.db2.gz PPJYRZFXNXEVBI-RYTJFDOTSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000657881670 419405148 /nfs/dbraw/zinc/40/51/48/419405148.db2.gz PPJYRZFXNXEVBI-RYTJFDOTSA-N 2 2 282.472 3.187 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nsc2ccccc21 ZINC000662234807 419369251 /nfs/dbraw/zinc/36/92/51/419369251.db2.gz NJAGVRVXEHDKML-WFASDCNBSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662234807 419369255 /nfs/dbraw/zinc/36/92/55/419369255.db2.gz NJAGVRVXEHDKML-WFASDCNBSA-N 2 2 289.448 3.041 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000657835978 419379971 /nfs/dbraw/zinc/37/99/71/419379971.db2.gz PRGFBERBJHWZEB-NUWOQIAWSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000657835978 419379975 /nfs/dbraw/zinc/37/99/75/419379975.db2.gz PRGFBERBJHWZEB-NUWOQIAWSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000657837301 419381001 /nfs/dbraw/zinc/38/10/01/419381001.db2.gz SCARJIWZQKTTLT-XNIRIUNOSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657837301 419381004 /nfs/dbraw/zinc/38/10/04/419381004.db2.gz SCARJIWZQKTTLT-XNIRIUNOSA-N 2 2 282.472 3.044 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657841598 419384109 /nfs/dbraw/zinc/38/41/09/419384109.db2.gz HPEMTDCBVPSMOR-IRXDYDNUSA-N 2 2 292.492 3.035 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2cnccc2o1 ZINC000657999931 419486728 /nfs/dbraw/zinc/48/67/28/419486728.db2.gz OSOYZUGAMDDAOV-JEYLPNPQSA-N 2 2 299.418 3.495 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2cnccc2o1 ZINC000657899139 419424221 /nfs/dbraw/zinc/42/42/21/419424221.db2.gz AIFLEKITEZUDKE-ZDUSSCGKSA-N 2 2 296.374 3.376 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000657901582 419426415 /nfs/dbraw/zinc/42/64/15/419426415.db2.gz FCFDFLRAUBDIEX-CQOGHXNDSA-N 2 2 262.441 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@H+]1C1CC1 ZINC000657901582 419426421 /nfs/dbraw/zinc/42/64/21/419426421.db2.gz FCFDFLRAUBDIEX-CQOGHXNDSA-N 2 2 262.441 3.026 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccs1 ZINC000658054001 419523176 /nfs/dbraw/zinc/52/31/76/419523176.db2.gz CNRKTGRXHPCLRO-NWDGAFQWSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccs1 ZINC000658054001 419523183 /nfs/dbraw/zinc/52/31/83/419523183.db2.gz CNRKTGRXHPCLRO-NWDGAFQWSA-N 2 2 252.427 3.272 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056761 419524881 /nfs/dbraw/zinc/52/48/81/419524881.db2.gz LXLAZKCVOCODAO-CZUORRHYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056761 419524888 /nfs/dbraw/zinc/52/48/88/419524888.db2.gz LXLAZKCVOCODAO-CZUORRHYSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000658058161 419529366 /nfs/dbraw/zinc/52/93/66/419529366.db2.gz DIQUYSAGGBQORX-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000658058161 419529368 /nfs/dbraw/zinc/52/93/68/419529368.db2.gz DIQUYSAGGBQORX-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000658059808 419533157 /nfs/dbraw/zinc/53/31/57/419533157.db2.gz XABWFPAPRYLYPY-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000658059808 419533167 /nfs/dbraw/zinc/53/31/67/419533167.db2.gz XABWFPAPRYLYPY-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000658064354 419538692 /nfs/dbraw/zinc/53/86/92/419538692.db2.gz ZNJBWMITYWUNER-JKSUJKDBSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000658064354 419538703 /nfs/dbraw/zinc/53/87/03/419538703.db2.gz ZNJBWMITYWUNER-JKSUJKDBSA-N 2 2 291.414 3.134 20 0 CGADLP C[NH+](C)C1(CNc2[nH+]ccc3c(N)cccc32)CCCCC1 ZINC000663321943 419556838 /nfs/dbraw/zinc/55/68/38/419556838.db2.gz ONFUMYXSYGAADM-UHFFFAOYSA-N 2 2 298.434 3.493 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090378 419562010 /nfs/dbraw/zinc/56/20/10/419562010.db2.gz GXFJUOGYNSTXCR-JSGCOSHPSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090378 419562020 /nfs/dbraw/zinc/56/20/20/419562020.db2.gz GXFJUOGYNSTXCR-JSGCOSHPSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034727 419511947 /nfs/dbraw/zinc/51/19/47/419511947.db2.gz HYJKUQNQSVMIPQ-OAHLLOKOSA-N 2 2 297.446 3.062 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000658094747 419570970 /nfs/dbraw/zinc/57/09/70/419570970.db2.gz AMFYSQSHWYIRGB-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000658094747 419570974 /nfs/dbraw/zinc/57/09/74/419570974.db2.gz AMFYSQSHWYIRGB-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000663512721 419639224 /nfs/dbraw/zinc/63/92/24/419639224.db2.gz HNKPYYDSMZVISF-ZJUUUORDSA-N 2 2 275.223 3.122 20 0 CGADLP C[C@H]1C[C@@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@@H+]1C ZINC000663663214 419667834 /nfs/dbraw/zinc/66/78/34/419667834.db2.gz ZZCDVRKZLMCBHN-ZFWWWQNUSA-N 2 2 297.406 3.115 20 0 CGADLP C[C@H]1C[C@@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@H+]1C ZINC000663663214 419667841 /nfs/dbraw/zinc/66/78/41/419667841.db2.gz ZZCDVRKZLMCBHN-ZFWWWQNUSA-N 2 2 297.406 3.115 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000663506343 419641604 /nfs/dbraw/zinc/64/16/04/419641604.db2.gz CTOVYUOGZVSYTB-CQSZACIVSA-N 2 2 270.376 3.176 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000658288790 419737078 /nfs/dbraw/zinc/73/70/78/419737078.db2.gz ZSDNXSWTMIIHKV-ZOBUZTSGSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000658288790 419737083 /nfs/dbraw/zinc/73/70/83/419737083.db2.gz ZSDNXSWTMIIHKV-ZOBUZTSGSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000658287950 419738093 /nfs/dbraw/zinc/73/80/93/419738093.db2.gz PFVMRKVNRDFDEU-RHSMWYFYSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000658287950 419738102 /nfs/dbraw/zinc/73/81/02/419738102.db2.gz PFVMRKVNRDFDEU-RHSMWYFYSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295215 419742451 /nfs/dbraw/zinc/74/24/51/419742451.db2.gz RGFWHEJDAYSJHR-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000221778544 262296285 /nfs/dbraw/zinc/29/62/85/262296285.db2.gz IUAFWAPZPZRWOW-XUWXXGDYSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000221778544 262296286 /nfs/dbraw/zinc/29/62/86/262296286.db2.gz IUAFWAPZPZRWOW-XUWXXGDYSA-N 2 2 288.435 3.361 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186538234 262316525 /nfs/dbraw/zinc/31/65/25/262316525.db2.gz YLIXGWGGQUMXTJ-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186538234 262316527 /nfs/dbraw/zinc/31/65/27/262316527.db2.gz YLIXGWGGQUMXTJ-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)c(C)c1 ZINC000037166648 270028699 /nfs/dbraw/zinc/02/86/99/270028699.db2.gz BMUPEBVSDISKFQ-KRWDZBQOSA-N 2 2 262.441 3.369 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685951 270037404 /nfs/dbraw/zinc/03/74/04/270037404.db2.gz VUTDBZREVGIGFL-AQFXKWCLSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685951 270037405 /nfs/dbraw/zinc/03/74/05/270037405.db2.gz VUTDBZREVGIGFL-AQFXKWCLSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094589 270038175 /nfs/dbraw/zinc/03/81/75/270038175.db2.gz AOSILYHTHHFTHO-HNNXBMFYSA-N 2 2 257.381 3.323 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)n2c1 ZINC000180367973 270053846 /nfs/dbraw/zinc/05/38/46/270053846.db2.gz DEJIXYWUSYZJDJ-AWEZNQCLSA-N 2 2 287.407 3.078 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187037604 270067715 /nfs/dbraw/zinc/06/77/15/270067715.db2.gz ZCIGBINAUVCATH-NWDGAFQWSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187037604 270067716 /nfs/dbraw/zinc/06/77/16/270067716.db2.gz ZCIGBINAUVCATH-NWDGAFQWSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccsc2S1 ZINC000222695555 270086140 /nfs/dbraw/zinc/08/61/40/270086140.db2.gz TZPZHZMDUNXHPA-DMDPSCGWSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccsc2S1 ZINC000222695555 270086141 /nfs/dbraw/zinc/08/61/41/270086141.db2.gz TZPZHZMDUNXHPA-DMDPSCGWSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000321766485 270093312 /nfs/dbraw/zinc/09/33/12/270093312.db2.gz DPHCKZRSZSFQFI-XYVMCAHJSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(Cl)c1 ZINC000521055152 270100206 /nfs/dbraw/zinc/10/02/06/270100206.db2.gz XUACIHICNVNPJN-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(Cl)c1 ZINC000521055152 270100207 /nfs/dbraw/zinc/10/02/07/270100207.db2.gz XUACIHICNVNPJN-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(Cl)c1 ZINC000521055152 270100208 /nfs/dbraw/zinc/10/02/08/270100208.db2.gz XUACIHICNVNPJN-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(Cl)c1 ZINC000521055152 270100209 /nfs/dbraw/zinc/10/02/09/270100209.db2.gz XUACIHICNVNPJN-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000526085599 270122561 /nfs/dbraw/zinc/12/25/61/270122561.db2.gz CRCBHACVFAIGFS-JHJVBQTASA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000526085599 270122562 /nfs/dbraw/zinc/12/25/62/270122562.db2.gz CRCBHACVFAIGFS-JHJVBQTASA-N 2 2 278.362 3.039 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCCOC2)n1-c1ccccc1 ZINC000527737756 270133314 /nfs/dbraw/zinc/13/33/14/270133314.db2.gz JQSGOGRZSBOZCL-INIZCTEOSA-N 2 2 299.418 3.087 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCCOC2)n1-c1ccccc1 ZINC000527737757 270133432 /nfs/dbraw/zinc/13/34/32/270133432.db2.gz JQSGOGRZSBOZCL-MRXNPFEDSA-N 2 2 299.418 3.087 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527752990 270134326 /nfs/dbraw/zinc/13/43/26/270134326.db2.gz RAHGHANNKTXIDP-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527752990 270134327 /nfs/dbraw/zinc/13/43/27/270134327.db2.gz RAHGHANNKTXIDP-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000527843551 270139148 /nfs/dbraw/zinc/13/91/48/270139148.db2.gz OZOLMZHZPWEBEB-OAHLLOKOSA-N 2 2 293.773 3.343 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC000527938271 270145760 /nfs/dbraw/zinc/14/57/60/270145760.db2.gz XAWMMRPEIGSIFY-RDJZCZTQSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC000527938271 270145761 /nfs/dbraw/zinc/14/57/61/270145761.db2.gz XAWMMRPEIGSIFY-RDJZCZTQSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@H]21 ZINC000527938269 270145812 /nfs/dbraw/zinc/14/58/12/270145812.db2.gz XAWMMRPEIGSIFY-DOTOQJQBSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4ccccc43)CC[C@H]21 ZINC000527938269 270145813 /nfs/dbraw/zinc/14/58/13/270145813.db2.gz XAWMMRPEIGSIFY-DOTOQJQBSA-N 2 2 281.403 3.155 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1C ZINC000527952477 270146477 /nfs/dbraw/zinc/14/64/77/270146477.db2.gz TWQVJFOPDONZQC-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000527952477 270146478 /nfs/dbraw/zinc/14/64/78/270146478.db2.gz TWQVJFOPDONZQC-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991561 270149018 /nfs/dbraw/zinc/14/90/18/270149018.db2.gz VPEBGHUEEDWIIV-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991561 270149019 /nfs/dbraw/zinc/14/90/19/270149019.db2.gz VPEBGHUEEDWIIV-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527998447 270149706 /nfs/dbraw/zinc/14/97/06/270149706.db2.gz DDNYSTZIEXVZBN-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527998447 270149707 /nfs/dbraw/zinc/14/97/07/270149707.db2.gz DDNYSTZIEXVZBN-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccs1 ZINC000528008531 270151162 /nfs/dbraw/zinc/15/11/62/270151162.db2.gz FKGGEULHNKHGBU-GXTWGEPZSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccs1 ZINC000528008531 270151163 /nfs/dbraw/zinc/15/11/63/270151163.db2.gz FKGGEULHNKHGBU-GXTWGEPZSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000528008631 270151200 /nfs/dbraw/zinc/15/12/00/270151200.db2.gz FXOPMVCZTSEHGR-SWLSCSKDSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC000528008631 270151201 /nfs/dbraw/zinc/15/12/01/270151201.db2.gz FXOPMVCZTSEHGR-SWLSCSKDSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530224222 270196518 /nfs/dbraw/zinc/19/65/18/270196518.db2.gz VMCHGVORFUVJFM-SMDDNHRTSA-N 2 2 296.361 3.223 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530216003 270195563 /nfs/dbraw/zinc/19/55/63/270195563.db2.gz LOBZEDOEFRODHT-GJZGRUSLSA-N 2 2 262.372 3.151 20 0 CGADLP Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1C[NH3+] ZINC000530248944 270197461 /nfs/dbraw/zinc/19/74/61/270197461.db2.gz WFMBXSQSFVONBZ-UHFFFAOYSA-N 2 2 267.376 3.116 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531684849 270208578 /nfs/dbraw/zinc/20/85/78/270208578.db2.gz URDCCVGKJNAZFH-LSDHHAIUSA-N 2 2 284.513 3.372 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@H](C)C1 ZINC000531955033 270211332 /nfs/dbraw/zinc/21/13/32/270211332.db2.gz RBKSXIONOCVIHP-XNISGKROSA-N 2 2 276.424 3.223 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@H](C)C1 ZINC000531955033 270211333 /nfs/dbraw/zinc/21/13/33/270211333.db2.gz RBKSXIONOCVIHP-XNISGKROSA-N 2 2 276.424 3.223 20 0 CGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C(C)(C)C ZINC000532232759 270214537 /nfs/dbraw/zinc/21/45/37/270214537.db2.gz KINDQKBGYQPSRQ-MRXNPFEDSA-N 2 2 296.499 3.293 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000361767218 274019467 /nfs/dbraw/zinc/01/94/67/274019467.db2.gz VYJVPWFPIONOKM-SFHVURJKSA-N 2 2 290.451 3.012 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000361767218 274019471 /nfs/dbraw/zinc/01/94/71/274019471.db2.gz VYJVPWFPIONOKM-SFHVURJKSA-N 2 2 290.451 3.012 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(Cl)c1 ZINC000424258354 274117393 /nfs/dbraw/zinc/11/73/93/274117393.db2.gz LTNQZNYZBSLDIP-NSHDSACASA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423239256 274132611 /nfs/dbraw/zinc/13/26/11/274132611.db2.gz JQWCEHNJZAJKRB-OALUTQOASA-N 2 2 296.414 3.362 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423142884 274261798 /nfs/dbraw/zinc/26/17/98/274261798.db2.gz BNSQNEOIUMRINU-VFVAKGGASA-N 2 2 280.362 3.072 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386165 274396951 /nfs/dbraw/zinc/39/69/51/274396951.db2.gz STIUGIUKNYBVCO-PBHICJAKSA-N 2 2 298.434 3.069 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386165 274396955 /nfs/dbraw/zinc/39/69/55/274396955.db2.gz STIUGIUKNYBVCO-PBHICJAKSA-N 2 2 298.434 3.069 20 0 CGADLP Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000124241824 274704978 /nfs/dbraw/zinc/70/49/78/274704978.db2.gz VTBROCXOXGPEHG-CYBMUJFWSA-N 2 2 287.382 3.213 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccno2)CC1 ZINC000280306315 274850809 /nfs/dbraw/zinc/85/08/09/274850809.db2.gz WMFLFLVGPNMPBW-UHFFFAOYSA-N 2 2 296.374 3.170 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3C3CC3)CC2)[nH+]c1 ZINC000345073426 275067462 /nfs/dbraw/zinc/06/74/62/275067462.db2.gz XNBSNRPFCQEKNP-SJORKVTESA-N 2 2 285.435 3.219 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413102 275076041 /nfs/dbraw/zinc/07/60/41/275076041.db2.gz QEHMDUBSOQKCTK-YESZJQIVSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000377413102 275076042 /nfs/dbraw/zinc/07/60/42/275076042.db2.gz QEHMDUBSOQKCTK-YESZJQIVSA-N 2 2 295.430 3.268 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000424184479 275791196 /nfs/dbraw/zinc/79/11/96/275791196.db2.gz XOTRYPUPPZXTPO-BDJLRTHQSA-N 2 2 289.354 3.215 20 0 CGADLP CC1(C)CCC(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335338583 275810632 /nfs/dbraw/zinc/81/06/32/275810632.db2.gz ADMGVKBAXMKXDY-AWEZNQCLSA-N 2 2 261.413 3.004 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000353989144 276008976 /nfs/dbraw/zinc/00/89/76/276008976.db2.gz ZPLYFEIXVPACKT-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000353989144 276008977 /nfs/dbraw/zinc/00/89/77/276008977.db2.gz ZPLYFEIXVPACKT-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2OC ZINC000353987309 276012245 /nfs/dbraw/zinc/01/22/45/276012245.db2.gz OSJYSXBQDWRLQK-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2OC ZINC000353987309 276012246 /nfs/dbraw/zinc/01/22/46/276012246.db2.gz OSJYSXBQDWRLQK-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1cccnc1 ZINC000184990521 276045076 /nfs/dbraw/zinc/04/50/76/276045076.db2.gz DAVIDKAVMAKYIQ-IRXDYDNUSA-N 2 2 275.440 3.387 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000249051512 276096467 /nfs/dbraw/zinc/09/64/67/276096467.db2.gz OFHGMMJCPHXKJC-CABCVRRESA-N 2 2 270.486 3.078 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000249051512 276096468 /nfs/dbraw/zinc/09/64/68/276096468.db2.gz OFHGMMJCPHXKJC-CABCVRRESA-N 2 2 270.486 3.078 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311828369 276175534 /nfs/dbraw/zinc/17/55/34/276175534.db2.gz DTNLCBOPRPWLOR-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000311828369 276175535 /nfs/dbraw/zinc/17/55/35/276175535.db2.gz DTNLCBOPRPWLOR-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344034865 276175552 /nfs/dbraw/zinc/17/55/52/276175552.db2.gz PGOHMEBVKGSNQF-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344034865 276175553 /nfs/dbraw/zinc/17/55/53/276175553.db2.gz PGOHMEBVKGSNQF-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000490312088 276243303 /nfs/dbraw/zinc/24/33/03/276243303.db2.gz DAEOKAHOIJERPP-FHLIZLRMSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000490312088 276243306 /nfs/dbraw/zinc/24/33/06/276243306.db2.gz DAEOKAHOIJERPP-FHLIZLRMSA-N 2 2 272.436 3.302 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154508212 277064649 /nfs/dbraw/zinc/06/46/49/277064649.db2.gz GMAMMZULEGZDMY-TZMCWYRMSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154508212 277064651 /nfs/dbraw/zinc/06/46/51/277064651.db2.gz GMAMMZULEGZDMY-TZMCWYRMSA-N 2 2 280.412 3.046 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424323426 277152545 /nfs/dbraw/zinc/15/25/45/277152545.db2.gz JBQCKSXSVGBDRF-FUHWJXTLSA-N 2 2 290.426 3.476 20 0 CGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000318338834 287944147 /nfs/dbraw/zinc/94/41/47/287944147.db2.gz ASPMCTQHCPVJAB-IAOVAPTHSA-N 2 2 299.418 3.336 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384832 277293829 /nfs/dbraw/zinc/29/38/29/277293829.db2.gz IBBICYGMIGECSH-BLLLJJGKSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1cc(C[NH2+]CCCc2c[nH+]ccc2C)cc(C)n1 ZINC000421378778 533690246 /nfs/dbraw/zinc/69/02/46/533690246.db2.gz KPQZYDVDNPHESO-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096504 277883466 /nfs/dbraw/zinc/88/34/66/277883466.db2.gz HQFHLWOBNZKYJT-RDJZCZTQSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339452477 278026564 /nfs/dbraw/zinc/02/65/64/278026564.db2.gz ZLHUAYUFTPRYRS-TWKWOARYSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339452477 278026565 /nfs/dbraw/zinc/02/65/65/278026565.db2.gz ZLHUAYUFTPRYRS-TWKWOARYSA-N 2 2 284.447 3.395 20 0 CGADLP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352090564 278164846 /nfs/dbraw/zinc/16/48/46/278164846.db2.gz ADEVFODGUUYPMC-FDRQBBGKSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C/CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352090564 278164853 /nfs/dbraw/zinc/16/48/53/278164853.db2.gz ADEVFODGUUYPMC-FDRQBBGKSA-N 2 2 258.409 3.378 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338777647 278273912 /nfs/dbraw/zinc/27/39/12/278273912.db2.gz ATHHFDDBYLKTRY-NZPGVSJUSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338777647 278273914 /nfs/dbraw/zinc/27/39/14/278273914.db2.gz ATHHFDDBYLKTRY-NZPGVSJUSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000397953198 288036235 /nfs/dbraw/zinc/03/62/35/288036235.db2.gz QLZSNXCZHDARIB-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000397953198 288036236 /nfs/dbraw/zinc/03/62/36/288036236.db2.gz QLZSNXCZHDARIB-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422947342 278387164 /nfs/dbraw/zinc/38/71/64/278387164.db2.gz QHZGGELSDRUHAG-ONERCXAPSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC=CCC1 ZINC000398308447 288042344 /nfs/dbraw/zinc/04/23/44/288042344.db2.gz QNYSDNZYSVPXPM-KRWDZBQOSA-N 2 2 267.376 3.461 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCSCC1 ZINC000187158334 278975317 /nfs/dbraw/zinc/97/53/17/278975317.db2.gz XPEFCHIURMHOIH-HIFRSBDPSA-N 2 2 272.502 3.084 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC13CCCC3)CCC2 ZINC000336064028 279004295 /nfs/dbraw/zinc/00/42/95/279004295.db2.gz HTNXWTDNIYIRSF-GJZGRUSLSA-N 2 2 273.424 3.381 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086869450 279165183 /nfs/dbraw/zinc/16/51/83/279165183.db2.gz QZUQXSOSWYJZCX-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1)C1CC1 ZINC000482102583 288111315 /nfs/dbraw/zinc/11/13/15/288111315.db2.gz SXZDXGIQMVLSIC-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1)C1CC1 ZINC000482102583 288111317 /nfs/dbraw/zinc/11/13/17/288111317.db2.gz SXZDXGIQMVLSIC-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358081377 279196346 /nfs/dbraw/zinc/19/63/46/279196346.db2.gz HYRUFALFNRLBMH-XIRDDKMYSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358081377 279196348 /nfs/dbraw/zinc/19/63/48/279196348.db2.gz HYRUFALFNRLBMH-XIRDDKMYSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362928001 279274781 /nfs/dbraw/zinc/27/47/81/279274781.db2.gz NYFRSEZOMJNKSW-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362928001 279274782 /nfs/dbraw/zinc/27/47/82/279274782.db2.gz NYFRSEZOMJNKSW-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145140 288123232 /nfs/dbraw/zinc/12/32/32/288123232.db2.gz RNNFTPGCBCEWDX-KUHUBIRLSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145140 288123234 /nfs/dbraw/zinc/12/32/34/288123234.db2.gz RNNFTPGCBCEWDX-KUHUBIRLSA-N 2 2 284.447 3.006 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836749 280196129 /nfs/dbraw/zinc/19/61/29/280196129.db2.gz RYMPKWLNGGPHJA-MRVWCRGKSA-N 2 2 298.377 3.469 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC000346494261 280254246 /nfs/dbraw/zinc/25/42/46/280254246.db2.gz TYJUEXXJJBHJTL-ULQDDVLXSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423285663 280286932 /nfs/dbraw/zinc/28/69/32/280286932.db2.gz ZMVCLVDJHDFERD-KGLIPLIRSA-N 2 2 282.815 3.127 20 0 CGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501877226 280480642 /nfs/dbraw/zinc/48/06/42/280480642.db2.gz RFMIIHUZLRMBAZ-OALUTQOASA-N 2 2 286.463 3.473 20 0 CGADLP Cc1ccc([C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C2CC2)cc1 ZINC000414279105 280950763 /nfs/dbraw/zinc/95/07/63/280950763.db2.gz YEMVOYLMRBWJBL-QGZVFWFLSA-N 2 2 298.434 3.035 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423389111 281001767 /nfs/dbraw/zinc/00/17/67/281001767.db2.gz NHUSDCXSMAKMMD-IRXDYDNUSA-N 2 2 287.451 3.301 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCO2 ZINC000352840512 281069840 /nfs/dbraw/zinc/06/98/40/281069840.db2.gz WMWQWDTUKKWOPF-KRWDZBQOSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC000352840512 281069843 /nfs/dbraw/zinc/06/98/43/281069843.db2.gz WMWQWDTUKKWOPF-KRWDZBQOSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCO2 ZINC000352840512 281069846 /nfs/dbraw/zinc/06/98/46/281069846.db2.gz WMWQWDTUKKWOPF-KRWDZBQOSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCO2 ZINC000352840512 281069847 /nfs/dbraw/zinc/06/98/47/281069847.db2.gz WMWQWDTUKKWOPF-KRWDZBQOSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H](C)C2 ZINC000491061294 281119468 /nfs/dbraw/zinc/11/94/68/281119468.db2.gz QSFLZJBEJZSDOW-SUNYJGFJSA-N 2 2 272.436 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H](C)C2 ZINC000491061294 281119469 /nfs/dbraw/zinc/11/94/69/281119469.db2.gz QSFLZJBEJZSDOW-SUNYJGFJSA-N 2 2 272.436 3.301 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2)nc1 ZINC000530178683 288295991 /nfs/dbraw/zinc/29/59/91/288295991.db2.gz PZQIGELNSFOYON-SFHVURJKSA-N 2 2 293.414 3.123 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc12 ZINC000530179467 288296163 /nfs/dbraw/zinc/29/61/63/288296163.db2.gz YFXOMELJCUFTFA-SFHVURJKSA-N 2 2 296.414 3.223 20 0 CGADLP CC[C@]1(C)CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483752 281316841 /nfs/dbraw/zinc/31/68/41/281316841.db2.gz KDQCLVKYMNMJIA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483752 281316843 /nfs/dbraw/zinc/31/68/43/281316843.db2.gz KDQCLVKYMNMJIA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450483752 281316844 /nfs/dbraw/zinc/31/68/44/281316844.db2.gz KDQCLVKYMNMJIA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450483752 281316845 /nfs/dbraw/zinc/31/68/45/281316845.db2.gz KDQCLVKYMNMJIA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1csc(C)n1)CCC2 ZINC000376527055 281551061 /nfs/dbraw/zinc/55/10/61/281551061.db2.gz DXPXSXYELLOBQG-AAEUAGOBSA-N 2 2 290.436 3.185 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531704321 288341387 /nfs/dbraw/zinc/34/13/87/288341387.db2.gz XEGOOBSEVUCBFT-FSDCSDTHSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531704321 288341388 /nfs/dbraw/zinc/34/13/88/288341388.db2.gz XEGOOBSEVUCBFT-FSDCSDTHSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724571 288343479 /nfs/dbraw/zinc/34/34/79/288343479.db2.gz AJBJHODYQRMVOJ-HUUCEWRRSA-N 2 2 274.452 3.110 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000531728355 288343718 /nfs/dbraw/zinc/34/37/18/288343718.db2.gz SZXLSCYNTFTCSY-CZUORRHYSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000531728355 288343719 /nfs/dbraw/zinc/34/37/19/288343719.db2.gz SZXLSCYNTFTCSY-CZUORRHYSA-N 2 2 264.388 3.208 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000531728526 288344170 /nfs/dbraw/zinc/34/41/70/288344170.db2.gz DWARDGZALYBCAG-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000531728526 288344171 /nfs/dbraw/zinc/34/41/71/288344171.db2.gz DWARDGZALYBCAG-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP CC(C)C1CCC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000531728880 288344317 /nfs/dbraw/zinc/34/43/17/288344317.db2.gz SURQNUIVXZTIDW-QQFBHYJXSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)C1CCC([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000531728880 288344318 /nfs/dbraw/zinc/34/43/18/288344318.db2.gz SURQNUIVXZTIDW-QQFBHYJXSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000532239699 288357681 /nfs/dbraw/zinc/35/76/81/288357681.db2.gz KRDSXPQVYUIMDK-UKRRQHHQSA-N 2 2 276.449 3.155 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000532239699 288357682 /nfs/dbraw/zinc/35/76/82/288357682.db2.gz KRDSXPQVYUIMDK-UKRRQHHQSA-N 2 2 276.449 3.155 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532474854 288363673 /nfs/dbraw/zinc/36/36/73/288363673.db2.gz OZSQTQXEIHONHX-UVQHHTHUSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)o1 ZINC000532474854 288363674 /nfs/dbraw/zinc/36/36/74/288363674.db2.gz OZSQTQXEIHONHX-UVQHHTHUSA-N 2 2 276.424 3.221 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H]1C[C@@H]1C)[NH+](C)C ZINC000488558276 292688459 /nfs/dbraw/zinc/68/84/59/292688459.db2.gz MKKQUFBUZGGEEM-MPTYRVRUSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424893 289004861 /nfs/dbraw/zinc/00/48/61/289004861.db2.gz GAVLMZYQBUQWSF-OKILXGFUSA-N 2 2 255.365 3.163 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424893 289004862 /nfs/dbraw/zinc/00/48/62/289004862.db2.gz GAVLMZYQBUQWSF-OKILXGFUSA-N 2 2 255.365 3.163 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548623065 289013688 /nfs/dbraw/zinc/01/36/88/289013688.db2.gz GQVWMRXFFYQPTA-KBPBESRZSA-N 2 2 261.413 3.004 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)CC2 ZINC000548635665 289014065 /nfs/dbraw/zinc/01/40/65/289014065.db2.gz IUNOZQTUHMMDRM-IAGOWNOFSA-N 2 2 281.403 3.329 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)CCCC2 ZINC000551580490 289123575 /nfs/dbraw/zinc/12/35/75/289123575.db2.gz LZQDUOYTYZJAAS-DOTOQJQBSA-N 2 2 281.403 3.113 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000552252784 289175964 /nfs/dbraw/zinc/17/59/64/289175964.db2.gz XPRZMOYGZPAONY-RDJZCZTQSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000552252784 289175967 /nfs/dbraw/zinc/17/59/67/289175967.db2.gz XPRZMOYGZPAONY-RDJZCZTQSA-N 2 2 260.425 3.378 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000552340387 289182773 /nfs/dbraw/zinc/18/27/73/289182773.db2.gz TUAOMPFPPOQKDV-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000552340387 289182777 /nfs/dbraw/zinc/18/27/77/289182777.db2.gz TUAOMPFPPOQKDV-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000553338160 289220503 /nfs/dbraw/zinc/22/05/03/289220503.db2.gz YYGWXIMQXWNSCS-JSGCOSHPSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000553338160 289220505 /nfs/dbraw/zinc/22/05/05/289220505.db2.gz YYGWXIMQXWNSCS-JSGCOSHPSA-N 2 2 282.378 3.490 20 0 CGADLP CC1(C)c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000553661163 289233661 /nfs/dbraw/zinc/23/36/61/289233661.db2.gz NQCCTNGEKTVBSA-UHFFFAOYSA-N 2 2 269.392 3.067 20 0 CGADLP CC1(C)c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000553661163 289233663 /nfs/dbraw/zinc/23/36/63/289233663.db2.gz NQCCTNGEKTVBSA-UHFFFAOYSA-N 2 2 269.392 3.067 20 0 CGADLP Cc1csc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000553877353 289243449 /nfs/dbraw/zinc/24/34/49/289243449.db2.gz PDLQHXAHQJDPBP-UHFFFAOYSA-N 2 2 293.480 3.338 20 0 CGADLP CC(C)(C)C(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000560541967 289602893 /nfs/dbraw/zinc/60/28/93/289602893.db2.gz DRMVOBHLFNWMLH-UHFFFAOYSA-N 2 2 259.397 3.496 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000360701448 294333909 /nfs/dbraw/zinc/33/39/09/294333909.db2.gz GDGSRWMIRGHIFI-LZLYRXPVSA-N 2 2 290.451 3.145 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1SC ZINC000154607458 295023463 /nfs/dbraw/zinc/02/34/63/295023463.db2.gz JQDUXMUXVYWYBM-GXTWGEPZSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1SC ZINC000154607458 295023466 /nfs/dbraw/zinc/02/34/66/295023466.db2.gz JQDUXMUXVYWYBM-GXTWGEPZSA-N 2 2 294.464 3.162 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414760554 295259537 /nfs/dbraw/zinc/25/95/37/295259537.db2.gz HHLVFBQQECLNMA-QGZVFWFLSA-N 2 2 290.451 3.393 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414760554 295259539 /nfs/dbraw/zinc/25/95/39/295259539.db2.gz HHLVFBQQECLNMA-QGZVFWFLSA-N 2 2 290.451 3.393 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)C ZINC000422703423 302199516 /nfs/dbraw/zinc/19/95/16/302199516.db2.gz HQXRKANOPOWDPR-XYJFISCASA-N 2 2 290.451 3.049 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)[NH+](C)C ZINC000451160727 302209155 /nfs/dbraw/zinc/20/91/55/302209155.db2.gz HYKULLUXZLUELD-DTJSUFBGSA-N 2 2 290.451 3.142 20 0 CGADLP COc1cccc([C@H](C[NH2+][C@H](C)C(C)C)[NH+]2CCCC2)c1 ZINC000154838048 321751766 /nfs/dbraw/zinc/75/17/66/321751766.db2.gz UNGZVQCZLRTDDZ-QAPCUYQASA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162235608 321880267 /nfs/dbraw/zinc/88/02/67/321880267.db2.gz UJCZZKXEQGMQMV-HNNXBMFYSA-N 2 2 275.440 3.070 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3F)CC2)c1 ZINC000165977801 321906518 /nfs/dbraw/zinc/90/65/18/321906518.db2.gz OTLCZROSMINYAX-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000564316338 322026870 /nfs/dbraw/zinc/02/68/70/322026870.db2.gz BBGLFWKJYIFEEF-SOUVJXGZSA-N 2 2 284.513 3.371 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000564316338 322026873 /nfs/dbraw/zinc/02/68/73/322026873.db2.gz BBGLFWKJYIFEEF-SOUVJXGZSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000564823144 322044906 /nfs/dbraw/zinc/04/49/06/322044906.db2.gz SRDQNBOFYCWEIK-SFHVURJKSA-N 2 2 283.419 3.149 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000565637673 322084844 /nfs/dbraw/zinc/08/48/44/322084844.db2.gz QKEIIGOYMIJHFV-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000565637673 322084846 /nfs/dbraw/zinc/08/48/46/322084846.db2.gz QKEIIGOYMIJHFV-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(CC(C)C)CC(C)C)n1C ZINC000566497526 322127022 /nfs/dbraw/zinc/12/70/22/322127022.db2.gz YFSKJLXKQXZBGD-UHFFFAOYSA-N 2 2 251.418 3.279 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000567356119 322160141 /nfs/dbraw/zinc/16/01/41/322160141.db2.gz SLMPPAZAJPRXHO-CQSZACIVSA-N 2 2 279.453 3.018 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000567729909 322175151 /nfs/dbraw/zinc/17/51/51/322175151.db2.gz LDFYJCWDSBWZPV-SFHVURJKSA-N 2 2 284.403 3.036 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567872042 322181112 /nfs/dbraw/zinc/18/11/12/322181112.db2.gz ZFYNREINDGUJSP-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567872042 322181114 /nfs/dbraw/zinc/18/11/14/322181114.db2.gz ZFYNREINDGUJSP-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000568076411 322192571 /nfs/dbraw/zinc/19/25/71/322192571.db2.gz IKGDAOYOFIFOHC-SFHVURJKSA-N 2 2 274.452 3.248 20 0 CGADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000568165331 322195593 /nfs/dbraw/zinc/19/55/93/322195593.db2.gz LBRNNQUNZNVKME-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000568165331 322195596 /nfs/dbraw/zinc/19/55/96/322195596.db2.gz LBRNNQUNZNVKME-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000568736788 322220151 /nfs/dbraw/zinc/22/01/51/322220151.db2.gz APGDFSSQQUZIRI-FYRZTWFESA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000568736788 322220152 /nfs/dbraw/zinc/22/01/52/322220152.db2.gz APGDFSSQQUZIRI-FYRZTWFESA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569221933 322239765 /nfs/dbraw/zinc/23/97/65/322239765.db2.gz KPTUJSKQWXFTPD-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569221933 322239767 /nfs/dbraw/zinc/23/97/67/322239767.db2.gz KPTUJSKQWXFTPD-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000569355963 322244891 /nfs/dbraw/zinc/24/48/91/322244891.db2.gz GNAGMOCELTZEFP-AWEZNQCLSA-N 2 2 278.359 3.167 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000569356842 322244943 /nfs/dbraw/zinc/24/49/43/322244943.db2.gz NNAXRCNBDJDEGA-ZDUSSCGKSA-N 2 2 283.419 3.458 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000570912763 322285256 /nfs/dbraw/zinc/28/52/56/322285256.db2.gz XBDNOCIORXSBPX-LSDHHAIUSA-N 2 2 286.419 3.295 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000570912763 322285258 /nfs/dbraw/zinc/28/52/58/322285258.db2.gz XBDNOCIORXSBPX-LSDHHAIUSA-N 2 2 286.419 3.295 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000571147993 322291065 /nfs/dbraw/zinc/29/10/65/322291065.db2.gz HQMPEIOSKOEGAL-HNNXBMFYSA-N 2 2 278.827 3.401 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000571156559 322291397 /nfs/dbraw/zinc/29/13/97/322291397.db2.gz YRNUCGXXUHAZKI-AEFFLSMTSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000572303842 322330558 /nfs/dbraw/zinc/33/05/58/322330558.db2.gz YZLPYTBFVJNQGA-FPMFFAJLSA-N 2 2 292.427 3.038 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000572484848 322339398 /nfs/dbraw/zinc/33/93/98/322339398.db2.gz YKWCXANSGNDYFF-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000572484848 322339400 /nfs/dbraw/zinc/33/94/00/322339400.db2.gz YKWCXANSGNDYFF-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572539214 322342379 /nfs/dbraw/zinc/34/23/79/322342379.db2.gz YZHXOQZUJTUTRY-NVXWUHKLSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572539214 322342382 /nfs/dbraw/zinc/34/23/82/322342382.db2.gz YZHXOQZUJTUTRY-NVXWUHKLSA-N 2 2 283.419 3.231 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+]CCC[NH+]1CCC1 ZINC000572984498 322364695 /nfs/dbraw/zinc/36/46/95/322364695.db2.gz FJKBIUVOPWTXLQ-UHFFFAOYSA-N 2 2 293.480 3.376 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000573533098 322392608 /nfs/dbraw/zinc/39/26/08/322392608.db2.gz XKSPQGSSHSXGMG-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000573533098 322392610 /nfs/dbraw/zinc/39/26/10/322392610.db2.gz XKSPQGSSHSXGMG-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP COc1ccc([C@H]([NH2+]CCCC2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000573711599 322403006 /nfs/dbraw/zinc/40/30/06/322403006.db2.gz RMQNXACUXUACEB-MSOLQXFVSA-N 2 2 288.435 3.268 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000395177485 329278243 /nfs/dbraw/zinc/27/82/43/329278243.db2.gz CNPYWUYVFBIJOK-HOTGVXAUSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000395177485 329278244 /nfs/dbraw/zinc/27/82/44/329278244.db2.gz CNPYWUYVFBIJOK-HOTGVXAUSA-N 2 2 278.827 3.365 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000177196675 335368219 /nfs/dbraw/zinc/36/82/19/335368219.db2.gz CZBPLVLBOOZUDN-AWEZNQCLSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000177196675 335368220 /nfs/dbraw/zinc/36/82/20/335368220.db2.gz CZBPLVLBOOZUDN-AWEZNQCLSA-N 2 2 272.436 3.211 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)n1C ZINC000578144551 335525635 /nfs/dbraw/zinc/52/56/35/335525635.db2.gz WSXLDVUHCIEWCF-MRXNPFEDSA-N 2 2 275.371 3.355 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384077885 336121707 /nfs/dbraw/zinc/12/17/07/336121707.db2.gz UEDWKGUIHBJLRC-UHFFFAOYSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386086878 336166166 /nfs/dbraw/zinc/16/61/66/336166166.db2.gz HNCYKYHFJJPEBK-FZMZJTMJSA-N 2 2 286.341 3.326 20 0 CGADLP CCC[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000150288600 521682543 /nfs/dbraw/zinc/68/25/43/521682543.db2.gz LHGOOPUZZLAUSU-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000150288600 521682545 /nfs/dbraw/zinc/68/25/45/521682545.db2.gz LHGOOPUZZLAUSU-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358321874 533830715 /nfs/dbraw/zinc/83/07/15/533830715.db2.gz SFKWWEUOEDVPCL-HNNXBMFYSA-N 2 2 299.418 3.076 20 0 CGADLP COc1cccc2c(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cccc12 ZINC000449026464 533835714 /nfs/dbraw/zinc/83/57/14/533835714.db2.gz GDDCZXTYZRPBNY-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1cccc2c(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cccc12 ZINC000449026464 533835724 /nfs/dbraw/zinc/83/57/24/533835724.db2.gz GDDCZXTYZRPBNY-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1[nH]cc[nH+]1 ZINC000367619302 533856962 /nfs/dbraw/zinc/85/69/62/533856962.db2.gz VSTWZHRTFKEBNB-HNNXBMFYSA-N 2 2 290.455 3.107 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccn(C)n1 ZINC000414073169 533975901 /nfs/dbraw/zinc/97/59/01/533975901.db2.gz VSTRXOWBLDQKPV-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423367136 533990884 /nfs/dbraw/zinc/99/08/84/533990884.db2.gz QUZYIOKINVOZPM-YZVOILCLSA-N 2 2 295.430 3.397 20 0 CGADLP CS[C@H]1CC[C@@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000425332535 534112971 /nfs/dbraw/zinc/11/29/71/534112971.db2.gz BLOHVQXIHFHNSD-HOCLYGCPSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000425935475 534126688 /nfs/dbraw/zinc/12/66/88/534126688.db2.gz DITHFDMKXDZHRL-RKDXNWHRSA-N 2 2 295.374 3.010 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000436287125 534200172 /nfs/dbraw/zinc/20/01/72/534200172.db2.gz SDXQOMISQKQRFE-SUMWQHHRSA-N 2 2 290.476 3.023 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000436287125 534200178 /nfs/dbraw/zinc/20/01/78/534200178.db2.gz SDXQOMISQKQRFE-SUMWQHHRSA-N 2 2 290.476 3.023 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449255972 534266945 /nfs/dbraw/zinc/26/69/45/534266945.db2.gz BFHROFCTSIVGTR-DZGCQCFKSA-N 2 2 295.386 3.165 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)[nH+]c1 ZINC000424302154 534495077 /nfs/dbraw/zinc/49/50/77/534495077.db2.gz WYSWORFAAINXOH-RDJZCZTQSA-N 2 2 285.435 3.076 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cncc(C)c1)CCC2 ZINC000372107401 534510655 /nfs/dbraw/zinc/51/06/55/534510655.db2.gz GCPJDCHFVNKHAW-LSDHHAIUSA-N 2 2 284.407 3.123 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317594 520838423 /nfs/dbraw/zinc/83/84/23/520838423.db2.gz BFKJPMLBFVRQHQ-WMZOPIPTSA-N 2 2 290.451 3.086 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](Cc1ccccc1)C1CC1)CCCC2 ZINC000367439320 534538434 /nfs/dbraw/zinc/53/84/34/534538434.db2.gz SXYHVWQMINUZJY-GOSISDBHSA-N 2 2 295.430 3.330 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)C(C)C)cc1 ZINC000155746748 524666159 /nfs/dbraw/zinc/66/61/59/524666159.db2.gz HEEODCUYHMPBTP-QGZVFWFLSA-N 2 2 271.408 3.048 20 0 CGADLP Cc1cccc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)[nH+]1 ZINC000157587857 524682474 /nfs/dbraw/zinc/68/24/74/524682474.db2.gz UZUFEFFFVSHLFJ-CQSZACIVSA-N 2 2 291.345 3.383 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129848239 525198672 /nfs/dbraw/zinc/19/86/72/525198672.db2.gz PJEJGPFVMIYDSL-ZOBUZTSGSA-N 2 2 272.436 3.141 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129848239 525198679 /nfs/dbraw/zinc/19/86/79/525198679.db2.gz PJEJGPFVMIYDSL-ZOBUZTSGSA-N 2 2 272.436 3.141 20 0 CGADLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000049235976 525301437 /nfs/dbraw/zinc/30/14/37/525301437.db2.gz BMOBAEDBROHDIQ-CYBMUJFWSA-N 2 2 266.348 3.240 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cncs1 ZINC000151325588 525456108 /nfs/dbraw/zinc/45/61/08/525456108.db2.gz AEMKTBYCZQPDQT-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1(C)CC1 ZINC000151350568 525532942 /nfs/dbraw/zinc/53/29/42/525532942.db2.gz BPJYXXXVSKGDJV-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000151724642 525612191 /nfs/dbraw/zinc/61/21/91/525612191.db2.gz ZCMVBMBVYHRFED-CABCVRRESA-N 2 2 299.418 3.338 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(OCCC(C)C)cc2)CC1 ZINC000469993532 536439983 /nfs/dbraw/zinc/43/99/83/536439983.db2.gz QETXQBPBPCHYJW-UHFFFAOYSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000366096637 526822609 /nfs/dbraw/zinc/82/26/09/526822609.db2.gz SDLRQYRRPHAULS-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000366096637 526822615 /nfs/dbraw/zinc/82/26/15/526822615.db2.gz SDLRQYRRPHAULS-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000157425975 527376522 /nfs/dbraw/zinc/37/65/22/527376522.db2.gz YDMRDGFLHFKLMD-HZPDHXFCSA-N 2 2 274.314 3.199 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093175 527815396 /nfs/dbraw/zinc/81/53/96/527815396.db2.gz WIDOOPKKZLLMAW-MFKMUULPSA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093175 527815400 /nfs/dbraw/zinc/81/54/00/527815400.db2.gz WIDOOPKKZLLMAW-MFKMUULPSA-N 2 2 298.352 3.023 20 0 CGADLP CCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423898879 528166024 /nfs/dbraw/zinc/16/60/24/528166024.db2.gz GEAXQJDXROXYSZ-HNNXBMFYSA-N 2 2 299.374 3.248 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2F)CC1 ZINC000424131610 528204059 /nfs/dbraw/zinc/20/40/59/528204059.db2.gz JJJIBFDARIOKHI-UHFFFAOYSA-N 2 2 282.378 3.237 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000423504610 528300602 /nfs/dbraw/zinc/30/06/02/528300602.db2.gz NOCBETNYNHHFKK-DGCLKSJQSA-N 2 2 281.469 3.435 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423258832 528310121 /nfs/dbraw/zinc/31/01/21/528310121.db2.gz CPAHVLJSHKJCJJ-JSGCOSHPSA-N 2 2 260.381 3.457 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423251798 528333214 /nfs/dbraw/zinc/33/32/14/528333214.db2.gz WYCAXJVGVXXPCY-IBGZPJMESA-N 2 2 298.430 3.178 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000423246236 528333405 /nfs/dbraw/zinc/33/34/05/528333405.db2.gz NBZQASHODRSTJB-CQSZACIVSA-N 2 2 252.427 3.179 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423232610 528335228 /nfs/dbraw/zinc/33/52/28/528335228.db2.gz IRPMMUPZSMVYLW-HNNXBMFYSA-N 2 2 266.816 3.380 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423525351 528359765 /nfs/dbraw/zinc/35/97/65/528359765.db2.gz PIYQTAFUGCPWJK-HZPDHXFCSA-N 2 2 296.842 3.005 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423374703 528421773 /nfs/dbraw/zinc/42/17/73/528421773.db2.gz ICMKYUFXSGJORV-VXGBXAGGSA-N 2 2 266.454 3.276 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423284136 528473765 /nfs/dbraw/zinc/47/37/65/528473765.db2.gz XWMDYXLTEPNJLW-RISCZKNCSA-N 2 2 284.831 3.373 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1SCC ZINC000423305417 528512111 /nfs/dbraw/zinc/51/21/11/528512111.db2.gz BRPXJVHWXKAEKA-ZDUSSCGKSA-N 2 2 266.454 3.449 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(CC[NH+](C)C)cc1 ZINC000424161816 528629546 /nfs/dbraw/zinc/62/95/46/528629546.db2.gz YTYBMTUQCQWQBL-UHFFFAOYSA-N 2 2 286.423 3.180 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427847502 528656123 /nfs/dbraw/zinc/65/61/23/528656123.db2.gz AGZHLGSHSMZABB-QLFBSQMISA-N 2 2 261.413 3.002 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])oc21 ZINC000423451751 528700789 /nfs/dbraw/zinc/70/07/89/528700789.db2.gz VHLFAPWSTNPIPO-SRVKXCTJSA-N 2 2 276.380 3.218 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)C2CC[NH+](CCC)CC2)o1 ZINC000428232844 528717364 /nfs/dbraw/zinc/71/73/64/528717364.db2.gz WAUSBBJGQWTTDJ-UHFFFAOYSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)C2CC[NH+](CCC)CC2)o1 ZINC000428232844 528717365 /nfs/dbraw/zinc/71/73/65/528717365.db2.gz WAUSBBJGQWTTDJ-UHFFFAOYSA-N 2 2 293.455 3.242 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423543452 528724836 /nfs/dbraw/zinc/72/48/36/528724836.db2.gz BWHBESOLSRAVTF-GOEBONIOSA-N 2 2 276.424 3.268 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423304547 528823058 /nfs/dbraw/zinc/82/30/58/528823058.db2.gz YYMCEYQBHYTAGP-OCCSQVGLSA-N 2 2 280.460 3.115 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436251475 528823274 /nfs/dbraw/zinc/82/32/74/528823274.db2.gz IXJYOENTGBWPHC-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436251475 528823284 /nfs/dbraw/zinc/82/32/84/528823284.db2.gz IXJYOENTGBWPHC-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110331 529031820 /nfs/dbraw/zinc/03/18/20/529031820.db2.gz LWXYNULHEPZLEX-KRWDZBQOSA-N 2 2 292.442 3.467 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423278591 529070363 /nfs/dbraw/zinc/07/03/63/529070363.db2.gz QXZDWGZXFDLMHZ-ZIAGYGMSSA-N 2 2 282.815 3.127 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423278626 529072374 /nfs/dbraw/zinc/07/23/74/529072374.db2.gz RAXFVNBRXSHJSC-TZMCWYRMSA-N 2 2 289.448 3.444 20 0 CGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCC1 ZINC000449121339 529161073 /nfs/dbraw/zinc/16/10/73/529161073.db2.gz HJYNNQOMDHFIPU-OAHLLOKOSA-N 2 2 261.413 3.442 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427124446 529171053 /nfs/dbraw/zinc/17/10/53/529171053.db2.gz RPPRUJPJEYLZGP-CJNGLKHVSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427124446 529171056 /nfs/dbraw/zinc/17/10/56/529171056.db2.gz RPPRUJPJEYLZGP-CJNGLKHVSA-N 2 2 278.827 3.086 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000423550390 529206909 /nfs/dbraw/zinc/20/69/09/529206909.db2.gz IICLXBVWFXRLOQ-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccc1OC ZINC000368103882 529207955 /nfs/dbraw/zinc/20/79/55/529207955.db2.gz ZBLQYOTZFSOYKS-DZGCQCFKSA-N 2 2 299.418 3.325 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccc1OC ZINC000368103882 529207957 /nfs/dbraw/zinc/20/79/57/529207957.db2.gz ZBLQYOTZFSOYKS-DZGCQCFKSA-N 2 2 299.418 3.325 20 0 CGADLP CCC(CC)[C@@H](C[NH2+][C@@H](COC)C(C)C)[NH+]1CCCC1 ZINC000480560806 535109500 /nfs/dbraw/zinc/10/95/00/535109500.db2.gz VVOHRGDGLYJNFR-DLBZAZTESA-N 2 2 284.488 3.148 20 0 CGADLP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463234849 535495198 /nfs/dbraw/zinc/49/51/98/535495198.db2.gz BEZZSNFJKVLTTA-DGCLKSJQSA-N 2 2 278.362 3.181 20 0 CGADLP CCCC1CCC([NH2+]CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000742386324 572573844 /nfs/dbraw/zinc/57/38/44/572573844.db2.gz APSVMYUKQABOJZ-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([NH2+]CC[N@H+]2CCC[C@@H]2C)CC1 ZINC000742386324 572573851 /nfs/dbraw/zinc/57/38/51/572573851.db2.gz APSVMYUKQABOJZ-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000891843786 618333082 /nfs/dbraw/zinc/33/30/82/618333082.db2.gz BGKBDXDBKGZPBY-UHFFFAOYSA-N 2 2 283.419 3.449 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200337 618667897 /nfs/dbraw/zinc/66/78/97/618667897.db2.gz ZMFNYWNWXAVTTP-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200337 618667898 /nfs/dbraw/zinc/66/78/98/618667898.db2.gz ZMFNYWNWXAVTTP-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000892649370 618886428 /nfs/dbraw/zinc/88/64/28/618886428.db2.gz LBZFZQPHUWXMPG-UONOGXRCSA-N 2 2 283.485 3.419 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000925563624 619061973 /nfs/dbraw/zinc/06/19/73/619061973.db2.gz OSGDQPGXZOVBQO-MJBXVCDLSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000925563624 619061975 /nfs/dbraw/zinc/06/19/75/619061975.db2.gz OSGDQPGXZOVBQO-MJBXVCDLSA-N 2 2 272.383 3.171 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cscn1 ZINC000162376841 619077041 /nfs/dbraw/zinc/07/70/41/619077041.db2.gz VBFASMTWFDCEGN-AAEUAGOBSA-N 2 2 278.425 3.105 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925616650 619089434 /nfs/dbraw/zinc/08/94/34/619089434.db2.gz AAZLOMDHYQEQHI-FPMFFAJLSA-N 2 2 268.351 3.242 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925661213 619116662 /nfs/dbraw/zinc/11/66/62/619116662.db2.gz TXBXJMVQBUYUOF-JRRPOABZSA-N 2 2 288.460 3.056 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000894548134 619572828 /nfs/dbraw/zinc/57/28/28/619572828.db2.gz WYIUUADHZNLORR-ZDUSSCGKSA-N 2 2 287.407 3.256 20 0 CGADLP CS[C@H]1CC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112652 619736459 /nfs/dbraw/zinc/73/64/59/619736459.db2.gz CRKSUVMTWMGTGA-AJNGGQMLSA-N 2 2 291.464 3.052 20 0 CGADLP C[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112635 619736689 /nfs/dbraw/zinc/73/66/89/619736689.db2.gz QIAQGEWZGVUFGB-ZQDZILKHSA-N 2 2 291.464 3.052 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC[NH3+])C1CC1 ZINC000262903965 620277176 /nfs/dbraw/zinc/27/71/76/620277176.db2.gz DWGOJOUSKAGRLU-SNVBAGLBSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC[NH3+])C1CC1 ZINC000262903965 620277179 /nfs/dbraw/zinc/27/71/79/620277179.db2.gz DWGOJOUSKAGRLU-SNVBAGLBSA-N 2 2 272.314 3.190 20 0 CGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000897439017 620335369 /nfs/dbraw/zinc/33/53/69/620335369.db2.gz MXQZPGVAZPYEOA-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)c2ccsc21)C[NH+](C)C ZINC000926957678 620554715 /nfs/dbraw/zinc/55/47/15/620554715.db2.gz CAMGZAZFGJSNMK-GZBFAFLISA-N 2 2 296.480 3.243 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659245 620557376 /nfs/dbraw/zinc/55/73/76/620557376.db2.gz DQTSJSHAHPQLRQ-XYVMCAHJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659245 620557377 /nfs/dbraw/zinc/55/73/77/620557377.db2.gz DQTSJSHAHPQLRQ-XYVMCAHJSA-N 2 2 294.483 3.044 20 0 CGADLP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000927035447 620566658 /nfs/dbraw/zinc/56/66/58/620566658.db2.gz GTQWLTZAMYPNSL-JYJNAYRXSA-N 2 2 294.508 3.411 20 0 CGADLP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000927035447 620566661 /nfs/dbraw/zinc/56/66/61/620566661.db2.gz GTQWLTZAMYPNSL-JYJNAYRXSA-N 2 2 294.508 3.411 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)c[nH+]1 ZINC000924729730 620580481 /nfs/dbraw/zinc/58/04/81/620580481.db2.gz AQYAAGKEIFFYTD-SJLPKXTDSA-N 2 2 298.434 3.059 20 0 CGADLP Cc1cccc([C@H]([NH2+]CC2([NH3+])CC2)c2cccc(F)c2)c1 ZINC000902405634 621291736 /nfs/dbraw/zinc/29/17/36/621291736.db2.gz JNGNACRFJUTJOY-KRWDZBQOSA-N 2 2 284.378 3.304 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000902428912 621314575 /nfs/dbraw/zinc/31/45/75/621314575.db2.gz ICHBHFBELXXVAL-JTQLQIEISA-N 2 2 291.782 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC000902436556 621318214 /nfs/dbraw/zinc/31/82/14/621318214.db2.gz ZRGSVALAWFBHAB-ARFHVFGLSA-N 2 2 272.417 3.414 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC000902445272 621322740 /nfs/dbraw/zinc/32/27/40/621322740.db2.gz PRJBJTYGNVIFRS-DJSGYFEHSA-N 2 2 272.417 3.332 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902473178 621324733 /nfs/dbraw/zinc/32/47/33/621324733.db2.gz TWPFLLDTJKKRNB-YUNRHHNCSA-N 2 2 256.393 3.108 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc2c1 ZINC000902465365 621338394 /nfs/dbraw/zinc/33/83/94/621338394.db2.gz FRZISBIGNGMUQB-YDISMWLMSA-N 2 2 296.414 3.392 20 0 CGADLP c1cncc([C@@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C2CCC2)c1 ZINC000902483943 621352817 /nfs/dbraw/zinc/35/28/17/621352817.db2.gz SVUOBNAXFSKZOG-SJORKVTESA-N 2 2 273.424 3.045 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000902742880 621422424 /nfs/dbraw/zinc/42/24/24/621422424.db2.gz ZYWKDJUGMQQCGU-PMUMKWKESA-N 2 2 299.418 3.193 20 0 CGADLP CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902803288 621441881 /nfs/dbraw/zinc/44/18/81/621441881.db2.gz UYRCYXLRJDCTET-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000902794016 621450272 /nfs/dbraw/zinc/45/02/72/621450272.db2.gz RBCDNEATRLWHEY-OIISXLGYSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000902794016 621450277 /nfs/dbraw/zinc/45/02/77/621450277.db2.gz RBCDNEATRLWHEY-OIISXLGYSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018865 621520583 /nfs/dbraw/zinc/52/05/83/621520583.db2.gz HJXUZBAQTKZSML-KCYZZUKISA-N 2 2 299.418 3.336 20 0 CGADLP C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903041438 621540335 /nfs/dbraw/zinc/54/03/35/621540335.db2.gz KFWJBJDLJZLTGY-HNNXBMFYSA-N 2 2 299.418 3.076 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903049846 621556345 /nfs/dbraw/zinc/55/63/45/621556345.db2.gz IYCRJNFBGXJSDB-FRFSOERESA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051419 621556810 /nfs/dbraw/zinc/55/68/10/621556810.db2.gz MAGPDQPRFIFPAX-RVKKMQEKSA-N 2 2 299.418 3.481 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@]34C[C@@H]3CCCC4)CC2)[nH+]c1 ZINC000903162916 621608238 /nfs/dbraw/zinc/60/82/38/621608238.db2.gz STFSCBTZLDWMSA-MAUKXSAKSA-N 2 2 285.435 3.220 20 0 CGADLP C1CCC2(C1)OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000903199597 621624043 /nfs/dbraw/zinc/62/40/43/621624043.db2.gz FPIMXIAZWICOSI-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)OCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000903199597 621624046 /nfs/dbraw/zinc/62/40/46/621624046.db2.gz FPIMXIAZWICOSI-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C(F)F ZINC000903377331 621720977 /nfs/dbraw/zinc/72/09/77/621720977.db2.gz KVTBDUMLKGVGRH-OCCSQVGLSA-N 2 2 299.409 3.344 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381140 621721914 /nfs/dbraw/zinc/72/19/14/621721914.db2.gz RSTYMENWXILDGP-BBWFWOEESA-N 2 2 275.440 3.099 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC000903845264 621820429 /nfs/dbraw/zinc/82/04/29/621820429.db2.gz GLURTLQTSPXFNG-XDTLVQLUSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC000903845264 621820430 /nfs/dbraw/zinc/82/04/30/621820430.db2.gz GLURTLQTSPXFNG-XDTLVQLUSA-N 2 2 285.218 3.305 20 0 CGADLP CCc1ccc(C2CC[NH+](C[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903934734 621835620 /nfs/dbraw/zinc/83/56/20/621835620.db2.gz JLUIDESKNHTQAE-MRXNPFEDSA-N 2 2 296.405 3.411 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)onc1C1CC1 ZINC000903953635 621842197 /nfs/dbraw/zinc/84/21/97/621842197.db2.gz HRZSYRVFJRUZTD-WBVHZDCISA-N 2 2 297.402 3.135 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1c(C)noc1C ZINC000904360856 621912441 /nfs/dbraw/zinc/91/24/41/621912441.db2.gz QLKDXPYGFXCZOV-ZIAGYGMSSA-N 2 2 281.444 3.486 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000904471569 621925852 /nfs/dbraw/zinc/92/58/52/621925852.db2.gz JCCPITXZHXBGDJ-CJNGLKHVSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163824998 622802104 /nfs/dbraw/zinc/80/21/04/622802104.db2.gz OUXWGOYPEAVFRW-ZDUSSCGKSA-N 2 2 281.469 3.393 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000311230074 623422658 /nfs/dbraw/zinc/42/26/58/623422658.db2.gz ZKGZRWSMDLNITM-SKDRFNHKSA-N 2 2 276.758 3.315 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000311230074 623422666 /nfs/dbraw/zinc/42/26/66/623422666.db2.gz ZKGZRWSMDLNITM-SKDRFNHKSA-N 2 2 276.758 3.315 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151664077 623553379 /nfs/dbraw/zinc/55/33/79/623553379.db2.gz BNAWVTNXAWJAGU-TZMCWYRMSA-N 2 2 273.405 3.028 20 0 CGADLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000153007161 623762650 /nfs/dbraw/zinc/76/26/50/623762650.db2.gz ZAAZNELAYOFVFT-CYBMUJFWSA-N 2 2 293.842 3.426 20 0 CGADLP c1cn(CCC[NH2+]Cc2ccccc2N2CCCCC2)c[nH+]1 ZINC000920955047 624556971 /nfs/dbraw/zinc/55/69/71/624556971.db2.gz YFXJHULFHBFESQ-UHFFFAOYSA-N 2 2 298.434 3.053 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182633530 625022770 /nfs/dbraw/zinc/02/27/70/625022770.db2.gz KYRNYMCAUFHRSB-LSDHHAIUSA-N 2 2 275.440 3.285 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000929261064 625968675 /nfs/dbraw/zinc/96/86/75/625968675.db2.gz YYAZRCWIGNVLKN-PEYYIBSZSA-N 2 2 261.413 3.427 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000929261064 625968676 /nfs/dbraw/zinc/96/86/76/625968676.db2.gz YYAZRCWIGNVLKN-PEYYIBSZSA-N 2 2 261.413 3.427 20 0 CGADLP CC(C)(/C=C\Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922649958 626026712 /nfs/dbraw/zinc/02/67/12/626026712.db2.gz JRSBPKVYUUYELT-FPLPWBNLSA-N 2 2 275.783 3.493 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374866 626149127 /nfs/dbraw/zinc/14/91/27/626149127.db2.gz FBONZIBCYPPAJA-WCQYABFASA-N 2 2 295.496 3.166 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374866 626149129 /nfs/dbraw/zinc/14/91/29/626149129.db2.gz FBONZIBCYPPAJA-WCQYABFASA-N 2 2 295.496 3.166 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374864 626149530 /nfs/dbraw/zinc/14/95/30/626149530.db2.gz FBONZIBCYPPAJA-AAEUAGOBSA-N 2 2 295.496 3.166 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374864 626149531 /nfs/dbraw/zinc/14/95/31/626149531.db2.gz FBONZIBCYPPAJA-AAEUAGOBSA-N 2 2 295.496 3.166 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1C ZINC000753612113 626458832 /nfs/dbraw/zinc/45/88/32/626458832.db2.gz RHMXBGWAXDJJAB-OAHLLOKOSA-N 2 2 276.424 3.058 20 0 CGADLP C[N@H+](C/C=C/Cl)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000754350808 626568591 /nfs/dbraw/zinc/56/85/91/626568591.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 2 277.239 3.278 20 0 CGADLP C[N@@H+](C/C=C/Cl)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000754350808 626568594 /nfs/dbraw/zinc/56/85/94/626568594.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C/Cl)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000754350808 626568599 /nfs/dbraw/zinc/56/85/99/626568599.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C/Cl)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000754350808 626568602 /nfs/dbraw/zinc/56/86/02/626568602.db2.gz GDXVWMOQMVTLSQ-UWKIBWCGSA-N 2 2 277.239 3.278 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871626 627231007 /nfs/dbraw/zinc/23/10/07/627231007.db2.gz XZBIJPXXTANXMK-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000764889285 627231962 /nfs/dbraw/zinc/23/19/62/627231962.db2.gz LZXBSFPNXYVWOA-KGLIPLIRSA-N 2 2 273.380 3.021 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC2 ZINC000766272415 627310251 /nfs/dbraw/zinc/31/02/51/627310251.db2.gz XBMSJYHFUJBYIK-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC2 ZINC000766272415 627310253 /nfs/dbraw/zinc/31/02/53/627310253.db2.gz XBMSJYHFUJBYIK-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000766273489 627311091 /nfs/dbraw/zinc/31/10/91/627311091.db2.gz PYNHZPAMURBOAY-CRAIPNDOSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000766273489 627311094 /nfs/dbraw/zinc/31/10/94/627311094.db2.gz PYNHZPAMURBOAY-CRAIPNDOSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)s1 ZINC000766275649 627311279 /nfs/dbraw/zinc/31/12/79/627311279.db2.gz YGTXALSMNOYDBR-DGCLKSJQSA-N 2 2 266.454 3.500 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)s1 ZINC000766275649 627311283 /nfs/dbraw/zinc/31/12/83/627311283.db2.gz YGTXALSMNOYDBR-DGCLKSJQSA-N 2 2 266.454 3.500 20 0 CGADLP FCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000777599413 628288007 /nfs/dbraw/zinc/28/80/07/628288007.db2.gz UGIVSAAEKNHVIX-UHFFFAOYSA-N 2 2 273.355 3.190 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302174 628480471 /nfs/dbraw/zinc/48/04/71/628480471.db2.gz FCENGBMPKQSQJE-HOTGVXAUSA-N 2 2 281.403 3.319 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302174 628480474 /nfs/dbraw/zinc/48/04/74/628480474.db2.gz FCENGBMPKQSQJE-HOTGVXAUSA-N 2 2 281.403 3.319 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000790049272 629179730 /nfs/dbraw/zinc/17/97/30/629179730.db2.gz NSAUFYKEVHRUGN-SJLPKXTDSA-N 2 2 286.463 3.426 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000862295221 629341830 /nfs/dbraw/zinc/34/18/30/629341830.db2.gz AGNYEYVXVBZQHC-HOTGVXAUSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000862295221 629341832 /nfs/dbraw/zinc/34/18/32/629341832.db2.gz AGNYEYVXVBZQHC-HOTGVXAUSA-N 2 2 260.425 3.172 20 0 CGADLP FC1(F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000793361025 629447752 /nfs/dbraw/zinc/44/77/52/629447752.db2.gz AFTYXSZJZUQCLO-UHFFFAOYSA-N 2 2 277.318 3.103 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1F ZINC000863543487 629603435 /nfs/dbraw/zinc/60/34/35/629603435.db2.gz ZTKMECKTKGSQKF-WFASDCNBSA-N 2 2 262.372 3.069 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000863545114 629604050 /nfs/dbraw/zinc/60/40/50/629604050.db2.gz HXGGFRIHOWXITG-COXVUDFISA-N 2 2 288.435 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000863548691 629604822 /nfs/dbraw/zinc/60/48/22/629604822.db2.gz RLQWAHIVSKEHFV-WKPIXPDZSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817948543 632245845 /nfs/dbraw/zinc/24/58/45/632245845.db2.gz BKJGFQRTBDVYHW-DLBZAZTESA-N 2 2 288.435 3.194 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000866239953 633040610 /nfs/dbraw/zinc/04/06/10/633040610.db2.gz XTZISTVHFAOADC-QGZVFWFLSA-N 2 2 287.382 3.470 20 0 CGADLP CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000866487246 633157206 /nfs/dbraw/zinc/15/72/06/633157206.db2.gz WJSPQGYUFBHHJQ-NOLJZWGESA-N 2 2 287.432 3.417 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C3CCC3)CC2)s1 ZINC000826948019 633445915 /nfs/dbraw/zinc/44/59/15/633445915.db2.gz UTBSNKJNQKQNMY-UHFFFAOYSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(O)c1F ZINC000872018235 633938821 /nfs/dbraw/zinc/93/88/21/633938821.db2.gz KFEVUKMBQBHCER-LLVKDONJSA-N 2 2 294.414 3.491 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872020637 633940601 /nfs/dbraw/zinc/94/06/01/633940601.db2.gz JONPHNULVDVMRT-ZDUSSCGKSA-N 2 2 294.414 3.302 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1CCCOC1 ZINC000872024319 633945004 /nfs/dbraw/zinc/94/50/04/633945004.db2.gz QCQCJAHUPUHKNL-HRCADAONSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000872029976 633949614 /nfs/dbraw/zinc/94/96/14/633949614.db2.gz WTXNJPATPVKMCI-SJORKVTESA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[NH2+]C1CCc2ccccc2CC1)Cn1cc[nH+]c1 ZINC000834543514 634179938 /nfs/dbraw/zinc/17/99/38/634179938.db2.gz GGRLJPNFMQCBFU-OAHLLOKOSA-N 2 2 283.419 3.056 20 0 CGADLP CSC(C)(C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000876650740 634875396 /nfs/dbraw/zinc/87/53/96/634875396.db2.gz IEXHIKMVMYTMAN-UHFFFAOYSA-N 2 2 267.442 3.052 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878318953 635459788 /nfs/dbraw/zinc/45/97/88/635459788.db2.gz FUZUHPQHDGYFJT-QZTJIDSGSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878318953 635459794 /nfs/dbraw/zinc/45/97/94/635459794.db2.gz FUZUHPQHDGYFJT-QZTJIDSGSA-N 2 2 299.418 3.125 20 0 CGADLP Cc1ccc(C[C@]2(C)CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000879388067 635777246 /nfs/dbraw/zinc/77/72/46/635777246.db2.gz LVJAGYIBNGCCNO-IBGZPJMESA-N 2 2 297.446 3.368 20 0 CGADLP Cc1ccc(C[C@]2(C)CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000879388067 635777250 /nfs/dbraw/zinc/77/72/50/635777250.db2.gz LVJAGYIBNGCCNO-IBGZPJMESA-N 2 2 297.446 3.368 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140197 635922884 /nfs/dbraw/zinc/92/28/84/635922884.db2.gz ABFQFBCUEYHXDG-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140197 635922889 /nfs/dbraw/zinc/92/28/89/635922889.db2.gz ABFQFBCUEYHXDG-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)CC(C)(C)C ZINC000880140197 635922894 /nfs/dbraw/zinc/92/28/94/635922894.db2.gz ABFQFBCUEYHXDG-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)CC(C)(C)C ZINC000880140197 635922896 /nfs/dbraw/zinc/92/28/96/635922896.db2.gz ABFQFBCUEYHXDG-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569194 636022640 /nfs/dbraw/zinc/02/26/40/636022640.db2.gz JOLLCQMAJJAHID-GDBMZVCRSA-N 2 2 257.381 3.260 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2C=CCCC2)c2ccccc2)c[nH+]1 ZINC000880569248 636022790 /nfs/dbraw/zinc/02/27/90/636022790.db2.gz KCQDBQRLAFYHGX-SJORKVTESA-N 2 2 267.376 3.323 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncs1 ZINC000129247227 636202922 /nfs/dbraw/zinc/20/29/22/636202922.db2.gz MIYIQCBLQBDTJA-DGCLKSJQSA-N 2 2 278.425 3.105 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883187054 636572406 /nfs/dbraw/zinc/57/24/06/636572406.db2.gz FEFUTMHBBVGLNS-HNNXBMFYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000131629921 636702941 /nfs/dbraw/zinc/70/29/41/636702941.db2.gz OBDCKRXUCPNODV-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000131629921 636702950 /nfs/dbraw/zinc/70/29/50/636702950.db2.gz OBDCKRXUCPNODV-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCOC1 ZINC000883388568 636730160 /nfs/dbraw/zinc/73/01/60/636730160.db2.gz XOHSMWGAJATKTP-RYQLBKOJSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000133624572 636961232 /nfs/dbraw/zinc/96/12/32/636961232.db2.gz LMDAVKQYZFCVDW-PVAVHDDUSA-N 2 2 290.451 3.130 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cncc3ccccc32)c[nH+]1 ZINC000135375545 637125108 /nfs/dbraw/zinc/12/51/08/637125108.db2.gz ITCQWGCZOCGSEF-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000135920069 637226397 /nfs/dbraw/zinc/22/63/97/637226397.db2.gz KGPCVIRYCFHTKJ-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000135920069 637226409 /nfs/dbraw/zinc/22/64/09/637226409.db2.gz KGPCVIRYCFHTKJ-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000886093906 637406738 /nfs/dbraw/zinc/40/67/38/637406738.db2.gz JZFPVGWHXZNGMP-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000886093906 637406739 /nfs/dbraw/zinc/40/67/39/637406739.db2.gz JZFPVGWHXZNGMP-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CC1([NH+]2CCCC2)CCC(Nc2cccc[nH+]2)CC1 ZINC000886564021 637582489 /nfs/dbraw/zinc/58/24/89/637582489.db2.gz LJGJJHVRZMZLQG-UHFFFAOYSA-N 2 2 259.397 3.291 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)n1 ZINC000852749697 637706262 /nfs/dbraw/zinc/70/62/62/637706262.db2.gz BUGSISRYUDJVLI-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc2c(c1)CCCO2 ZINC000853248449 637793910 /nfs/dbraw/zinc/79/39/10/637793910.db2.gz GOLJGEAIFNFSLC-CYBMUJFWSA-N 2 2 276.424 3.050 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924576565 638365907 /nfs/dbraw/zinc/36/59/07/638365907.db2.gz TZOLJDIKPAKOEA-LJQANCHMSA-N 2 2 295.430 3.163 20 0 CGADLP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+]1CCC(C)CC1 ZINC000924851048 638414431 /nfs/dbraw/zinc/41/44/31/638414431.db2.gz OCWOXGNSXUMQHF-KLHKWILBSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)cc2c1C ZINC000925473712 638507529 /nfs/dbraw/zinc/50/75/29/638507529.db2.gz OPBHIDMSYFFWFS-MRXNPFEDSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])Oc1ccccc1 ZINC000925600877 638540912 /nfs/dbraw/zinc/54/09/12/638540912.db2.gz GADHVPFAYQYAQN-VKJFTORMSA-N 2 2 284.403 3.132 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925607111 638543420 /nfs/dbraw/zinc/54/34/20/638543420.db2.gz NSTLZUGVYWJYBO-PSTGCABASA-N 2 2 287.407 3.073 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)CCC2 ZINC000925630753 638549277 /nfs/dbraw/zinc/54/92/77/638549277.db2.gz CECXRCATTZYOEU-KGLIPLIRSA-N 2 2 291.464 3.093 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000925670364 638563696 /nfs/dbraw/zinc/56/36/96/638563696.db2.gz KYTCSSZOBGDKAT-CMPLNLGQSA-N 2 2 272.314 3.007 20 0 CGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925673603 638564968 /nfs/dbraw/zinc/56/49/68/638564968.db2.gz CWTVJFWJCNUCNW-CVEARBPZSA-N 2 2 278.465 3.287 20 0 CGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925673603 638564969 /nfs/dbraw/zinc/56/49/69/638564969.db2.gz CWTVJFWJCNUCNW-CVEARBPZSA-N 2 2 278.465 3.287 20 0 CGADLP c1cc(N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc2c1[NH2+]CC2 ZINC000925690022 638569976 /nfs/dbraw/zinc/56/99/76/638569976.db2.gz CVNAVHNVARVJTH-AEFFLSMTSA-N 2 2 285.435 3.235 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])nc1 ZINC000925719598 638578939 /nfs/dbraw/zinc/57/89/39/638578939.db2.gz POWXVYMZMAAMLQ-CRAIPNDOSA-N 2 2 297.446 3.346 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925719473 638579065 /nfs/dbraw/zinc/57/90/65/638579065.db2.gz SQFZDKQITAOPJQ-RISCZKNCSA-N 2 2 286.341 3.022 20 0 CGADLP Cc1cc(N[C@@H](C)c2ccc(C[NH3+])nc2C)c[nH+]c1C ZINC000925768899 638604104 /nfs/dbraw/zinc/60/41/04/638604104.db2.gz MOTXNCGWLMSBPU-ZDUSSCGKSA-N 2 2 270.380 3.034 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925871809 638637310 /nfs/dbraw/zinc/63/73/10/638637310.db2.gz ITAJZZJIQDKPMI-FHLIZLRMSA-N 2 2 295.430 3.007 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858398022 638702122 /nfs/dbraw/zinc/70/21/22/638702122.db2.gz PVTXMXWDQYXIIY-AWEZNQCLSA-N 2 2 261.413 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858398022 638702132 /nfs/dbraw/zinc/70/21/32/638702132.db2.gz PVTXMXWDQYXIIY-AWEZNQCLSA-N 2 2 261.413 3.037 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000926158351 638724656 /nfs/dbraw/zinc/72/46/56/638724656.db2.gz JOZVJDMYSAGNMU-VHDGCEQUSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000926158351 638724663 /nfs/dbraw/zinc/72/46/63/638724663.db2.gz JOZVJDMYSAGNMU-VHDGCEQUSA-N 2 2 293.480 3.162 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858531814 638756889 /nfs/dbraw/zinc/75/68/89/638756889.db2.gz BFHFXXLJQWSRBZ-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858531814 638756891 /nfs/dbraw/zinc/75/68/91/638756891.db2.gz BFHFXXLJQWSRBZ-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926646127 638794447 /nfs/dbraw/zinc/79/44/47/638794447.db2.gz VLJPREPXIHWGJD-HNNXBMFYSA-N 2 2 295.858 3.290 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926646127 638794450 /nfs/dbraw/zinc/79/44/50/638794450.db2.gz VLJPREPXIHWGJD-HNNXBMFYSA-N 2 2 295.858 3.290 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926807016 638814199 /nfs/dbraw/zinc/81/41/99/638814199.db2.gz JZEAEKPOJJNNAT-HYVNUMGLSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926807016 638814201 /nfs/dbraw/zinc/81/42/01/638814201.db2.gz JZEAEKPOJJNNAT-HYVNUMGLSA-N 2 2 288.435 3.363 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)[nH]1 ZINC000929803843 638952958 /nfs/dbraw/zinc/95/29/58/638952958.db2.gz OROOSPAFLJVOJS-HNNXBMFYSA-N 2 2 289.423 3.081 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622016 639182245 /nfs/dbraw/zinc/18/22/45/639182245.db2.gz NFPHGCLXLKICRY-HZPDHXFCSA-N 2 2 262.441 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622016 639182249 /nfs/dbraw/zinc/18/22/49/639182249.db2.gz NFPHGCLXLKICRY-HZPDHXFCSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC2(CC2)CC1 ZINC000931622016 639182253 /nfs/dbraw/zinc/18/22/53/639182253.db2.gz NFPHGCLXLKICRY-HZPDHXFCSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC2(CC2)CC1 ZINC000931622016 639182256 /nfs/dbraw/zinc/18/22/56/639182256.db2.gz NFPHGCLXLKICRY-HZPDHXFCSA-N 2 2 262.441 3.125 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932276358 639309987 /nfs/dbraw/zinc/30/99/87/639309987.db2.gz UAZFCKVSYZSQDI-MAUKXSAKSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932276358 639309999 /nfs/dbraw/zinc/30/99/99/639309999.db2.gz UAZFCKVSYZSQDI-MAUKXSAKSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)sc1C ZINC000094965340 640805681 /nfs/dbraw/zinc/80/56/81/640805681.db2.gz YPSLSXIFTKZBQY-GFCCVEGCSA-N 2 2 281.469 3.114 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)sc1C ZINC000094965340 640805686 /nfs/dbraw/zinc/80/56/86/640805686.db2.gz YPSLSXIFTKZBQY-GFCCVEGCSA-N 2 2 281.469 3.114 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415142575 640859661 /nfs/dbraw/zinc/85/96/61/640859661.db2.gz ZGTJGVJJWBQWJY-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415142575 640859669 /nfs/dbraw/zinc/85/96/69/640859669.db2.gz ZGTJGVJJWBQWJY-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2[nH+]c(NCCn3cc[nH+]c3C)cc(C)c2c1 ZINC001156006910 805638927 /nfs/dbraw/zinc/63/89/27/805638927.db2.gz GQMPZBMHODYXCV-UHFFFAOYSA-N 2 2 296.374 3.169 20 0 CGADLP Cc1cc(N2CC[C@H]([N@@H+](C)C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001157020868 805766316 /nfs/dbraw/zinc/76/63/16/805766316.db2.gz KFYMTCOTWFAMNI-AWEZNQCLSA-N 2 2 290.455 3.001 20 0 CGADLP Cc1cc(N2CC[C@H]([N@H+](C)C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001157020868 805766322 /nfs/dbraw/zinc/76/63/22/805766322.db2.gz KFYMTCOTWFAMNI-AWEZNQCLSA-N 2 2 290.455 3.001 20 0 CGADLP CC1(Nc2[nH+]ccc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC001157401305 805806950 /nfs/dbraw/zinc/80/69/50/805806950.db2.gz CELPWQQXBXJAMU-UHFFFAOYSA-N 2 2 275.783 3.442 20 0 CGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(Cl)c1 ZINC001253211238 806182437 /nfs/dbraw/zinc/18/24/37/806182437.db2.gz UODLHSNXCYWZCO-DZGCQCFKSA-N 2 2 298.858 3.002 20 0 CGADLP COc1cc(C)c[nH+]c1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160666153 806295019 /nfs/dbraw/zinc/29/50/19/806295019.db2.gz VBCSHBAPFKGIAX-OAHLLOKOSA-N 2 2 299.418 3.000 20 0 CGADLP FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC001160735774 806299066 /nfs/dbraw/zinc/29/90/66/806299066.db2.gz JAZWFKWDNSPLJJ-CHWSQXEVSA-N 2 2 295.308 3.187 20 0 CGADLP CC(C)c1ccc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]c1 ZINC001161584411 806394920 /nfs/dbraw/zinc/39/49/20/806394920.db2.gz YBRPVPKNDAIJMQ-UHFFFAOYSA-N 2 2 296.418 3.054 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001254454124 806406486 /nfs/dbraw/zinc/40/64/86/806406486.db2.gz IMEKMDGCPZHENH-FQEVSTJZSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001254454124 806406493 /nfs/dbraw/zinc/40/64/93/806406493.db2.gz IMEKMDGCPZHENH-FQEVSTJZSA-N 2 2 298.474 3.398 20 0 CGADLP c1[nH+]c(CNc2cccc(C3CC3)[nH+]2)c2ccccn12 ZINC001161687541 806418293 /nfs/dbraw/zinc/41/82/93/806418293.db2.gz XSQXEWKYVSXBES-UHFFFAOYSA-N 2 2 264.332 3.219 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512966 806432831 /nfs/dbraw/zinc/43/28/31/806432831.db2.gz UIMVZPKSSBPJEE-HIFRSBDPSA-N 2 2 293.842 3.260 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512966 806432832 /nfs/dbraw/zinc/43/28/32/806432832.db2.gz UIMVZPKSSBPJEE-HIFRSBDPSA-N 2 2 293.842 3.260 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254837259 806494271 /nfs/dbraw/zinc/49/42/71/806494271.db2.gz STGQZCMKHTVWSD-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852319 806498508 /nfs/dbraw/zinc/49/85/08/806498508.db2.gz GOOUXOYVCMLLAB-MSOLQXFVSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852319 806498514 /nfs/dbraw/zinc/49/85/14/806498514.db2.gz GOOUXOYVCMLLAB-MSOLQXFVSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861306 806500124 /nfs/dbraw/zinc/50/01/24/806500124.db2.gz FZMOPICLARLQEF-ROUUACIJSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861306 806500130 /nfs/dbraw/zinc/50/01/30/806500130.db2.gz FZMOPICLARLQEF-ROUUACIJSA-N 2 2 288.410 3.447 20 0 CGADLP COc1ccc([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)c2[nH]ccc21 ZINC001162455562 806587228 /nfs/dbraw/zinc/58/72/28/806587228.db2.gz DUJFWPMFOPSJCF-QWHCGFSZSA-N 2 2 287.407 3.224 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccco1 ZINC000037156619 798862389 /nfs/dbraw/zinc/86/23/89/798862389.db2.gz XRSRLUUDYNCSKT-JSGCOSHPSA-N 2 2 261.369 3.242 20 0 CGADLP CCC[NH+]1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000037901081 798878918 /nfs/dbraw/zinc/87/89/18/798878918.db2.gz ULESBGABEGFERR-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP CCC[NH+]1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000037901081 798878923 /nfs/dbraw/zinc/87/89/23/798878923.db2.gz ULESBGABEGFERR-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP Cc1cc2[nH]ccc2c(NCc2ccc3[nH+]ccn3c2)[nH+]1 ZINC001163139532 806706499 /nfs/dbraw/zinc/70/64/99/806706499.db2.gz PKNXUBFBOGNXAS-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP CCc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)nc(CC)[nH+]1 ZINC001163232147 806731886 /nfs/dbraw/zinc/73/18/86/806731886.db2.gz PENVZMGQNOQZSX-AWEZNQCLSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)nc(CC)[nH+]1 ZINC001163232147 806731890 /nfs/dbraw/zinc/73/18/90/806731890.db2.gz PENVZMGQNOQZSX-AWEZNQCLSA-N 2 2 290.455 3.134 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000390773311 799474605 /nfs/dbraw/zinc/47/46/05/799474605.db2.gz KZUZSNFLZUAPAQ-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000390773311 799474607 /nfs/dbraw/zinc/47/46/07/799474607.db2.gz KZUZSNFLZUAPAQ-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530218437 799672192 /nfs/dbraw/zinc/67/21/92/799672192.db2.gz JBDVCAVCRGUYLP-IAGOWNOFSA-N 2 2 286.419 3.021 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC001255942426 806790999 /nfs/dbraw/zinc/79/09/99/806790999.db2.gz GHIJNBRJFGTVFK-GJZGRUSLSA-N 2 2 263.429 3.161 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1COc2cc(Cl)ccc21 ZINC001255951921 806795367 /nfs/dbraw/zinc/79/53/67/806795367.db2.gz LDNSDAXGYBADGE-DOMZBBRYSA-N 2 2 296.842 3.484 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2ccccc2OC)CC1 ZINC001255954406 806797384 /nfs/dbraw/zinc/79/73/84/806797384.db2.gz WEROZMNVOOKJQW-HNNXBMFYSA-N 2 2 290.451 3.394 20 0 CGADLP c1ccc([C@H]2CC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078878 806815188 /nfs/dbraw/zinc/81/51/88/806815188.db2.gz DDGSIVQTUYKNRQ-QGZVFWFLSA-N 2 2 256.393 3.060 20 0 CGADLP c1ccc([C@H]2CC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078878 806815194 /nfs/dbraw/zinc/81/51/94/806815194.db2.gz DDGSIVQTUYKNRQ-QGZVFWFLSA-N 2 2 256.393 3.060 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2nc(C[NH+](C)C)cs2)C[C@@H](C)C1 ZINC000722390348 800319976 /nfs/dbraw/zinc/31/99/76/800319976.db2.gz LXAKVRNZWUNZIO-RYUDHWBXSA-N 2 2 281.469 3.119 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)n1 ZINC000722408898 800323283 /nfs/dbraw/zinc/32/32/83/800323283.db2.gz QJEWKBJUTLYBJH-CABCVRRESA-N 2 2 293.480 3.263 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256113605 806825096 /nfs/dbraw/zinc/82/50/96/806825096.db2.gz NLQUKFIQKRHRHK-IRXDYDNUSA-N 2 2 283.419 3.279 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001256197532 806847099 /nfs/dbraw/zinc/84/70/99/806847099.db2.gz KILFCHSZXUPSCT-UHFFFAOYSA-N 2 2 298.352 3.378 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001256208819 806848432 /nfs/dbraw/zinc/84/84/32/806848432.db2.gz PLXUXODHUXQVSU-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccn2)C2CCCCC2)CC1 ZINC001256208819 806848440 /nfs/dbraw/zinc/84/84/40/806848440.db2.gz PLXUXODHUXQVSU-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001256211203 806852165 /nfs/dbraw/zinc/85/21/65/806852165.db2.gz RHPCOEHQWIDBNO-UHFFFAOYSA-N 2 2 298.352 3.158 20 0 CGADLP C[NH+]1CCC([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001256211203 806852173 /nfs/dbraw/zinc/85/21/73/806852173.db2.gz RHPCOEHQWIDBNO-UHFFFAOYSA-N 2 2 298.352 3.158 20 0 CGADLP C[NH+](C)Cc1cccc(CNc2ccn3cc[nH+]c3c2)c1 ZINC001163994401 806870208 /nfs/dbraw/zinc/87/02/08/806870208.db2.gz WRDLBWWGTCQTRA-UHFFFAOYSA-N 2 2 280.375 3.008 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC001256562264 806916881 /nfs/dbraw/zinc/91/68/81/806916881.db2.gz PFUARWXZDCREKD-CQSZACIVSA-N 2 2 275.440 3.304 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(-c2ccccc2)cc[nH+]1 ZINC001164462372 806950441 /nfs/dbraw/zinc/95/04/41/806950441.db2.gz OADOQQZBUMPIOD-GJZGRUSLSA-N 2 2 281.403 3.312 20 0 CGADLP Cc1cc([NH2+][C@H]2CC[C@H]2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001117620868 802473248 /nfs/dbraw/zinc/47/32/48/802473248.db2.gz YUCJDEQWVPQBAT-ROUUACIJSA-N 2 2 299.462 3.347 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1(C)CCCC1 ZINC001117707513 802479903 /nfs/dbraw/zinc/47/99/03/802479903.db2.gz RXEAPCZVFYVUAS-UHFFFAOYSA-N 2 2 298.390 3.485 20 0 CGADLP CC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001119440602 802665074 /nfs/dbraw/zinc/66/50/74/802665074.db2.gz PPXMJWQXAJYBLF-AVVWSFFYSA-N 2 2 255.365 3.013 20 0 CGADLP Cc1cn2cc(-c3cccc(OCC[NH+](C)C)c3)ccc2[nH+]1 ZINC001243749229 802981524 /nfs/dbraw/zinc/98/15/24/802981524.db2.gz UMQNQPJYZHLSQS-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)n1 ZINC001206809947 813443942 /nfs/dbraw/zinc/44/39/42/813443942.db2.gz MPDCAOYGILBQEE-OLZOCXBDSA-N 2 2 295.858 3.418 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)n1 ZINC001206809947 813443945 /nfs/dbraw/zinc/44/39/45/813443945.db2.gz MPDCAOYGILBQEE-OLZOCXBDSA-N 2 2 295.858 3.418 20 0 CGADLP C[NH2+]Cc1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001245199205 803661677 /nfs/dbraw/zinc/66/16/77/803661677.db2.gz TWDGZGMFOMQFKW-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cccc(F)c12 ZINC001136987315 803668019 /nfs/dbraw/zinc/66/80/19/803668019.db2.gz SVZHUQKMUANQRD-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cccc(F)c12 ZINC001136987315 803668022 /nfs/dbraw/zinc/66/80/22/803668022.db2.gz SVZHUQKMUANQRD-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001138397078 803915527 /nfs/dbraw/zinc/91/55/27/803915527.db2.gz LJOFCBBJCDIPIX-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP CC(C)[N@H+](Cc1c[nH]nc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC001138581415 803974686 /nfs/dbraw/zinc/97/46/86/803974686.db2.gz KDUQSUQBYFLOAF-UHFFFAOYSA-N 2 2 292.471 3.012 20 0 CGADLP CC(C)[N@@H+](Cc1c[nH]nc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC001138581415 803974694 /nfs/dbraw/zinc/97/46/94/803974694.db2.gz KDUQSUQBYFLOAF-UHFFFAOYSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@H]2C1 ZINC001138723538 804021482 /nfs/dbraw/zinc/02/14/82/804021482.db2.gz SHHIIZSOLKJDSB-ZIAGYGMSSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001138987485 804099465 /nfs/dbraw/zinc/09/94/65/804099465.db2.gz SCNNVVUNVONGKI-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001138987485 804099475 /nfs/dbraw/zinc/09/94/75/804099475.db2.gz SCNNVVUNVONGKI-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](C[NH3+])c1ccccc1)CC2 ZINC001246077055 804115823 /nfs/dbraw/zinc/11/58/23/804115823.db2.gz QPNGNVLYXMDAND-RBUKOAKNSA-N 2 2 280.415 3.142 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246077857 804116059 /nfs/dbraw/zinc/11/60/59/804116059.db2.gz UIJKISABSZXVKY-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246093303 804125534 /nfs/dbraw/zinc/12/55/34/804125534.db2.gz SASCRHBIVFQOSG-ULQDDVLXSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246097822 804130341 /nfs/dbraw/zinc/13/03/41/804130341.db2.gz NLVHMSPZWCDOIF-DZGCQCFKSA-N 2 2 282.378 3.221 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246102870 804135469 /nfs/dbraw/zinc/13/54/69/804135469.db2.gz XKYDLKUNNMQVES-RRFJBIMHSA-N 2 2 258.425 3.415 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246106167 804139061 /nfs/dbraw/zinc/13/90/61/804139061.db2.gz DYZPXHMIGNCGNK-YVSFHVDLSA-N 2 2 276.399 3.002 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246111893 804143336 /nfs/dbraw/zinc/14/33/36/804143336.db2.gz OWRPDBVXAAORTB-ILXRZTDVSA-N 2 2 268.420 3.169 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246111531 804143705 /nfs/dbraw/zinc/14/37/05/804143705.db2.gz PGPAQBOBLFPQPY-WCQYABFASA-N 2 2 284.856 3.162 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1Cl ZINC001246157736 804173590 /nfs/dbraw/zinc/17/35/90/804173590.db2.gz DCFZMMSEVQTGKJ-ZSBIGDGJSA-N 2 2 284.806 3.406 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246157756 804174598 /nfs/dbraw/zinc/17/45/98/804174598.db2.gz DKRUTAGRZIMPIW-LSDHHAIUSA-N 2 2 282.378 3.365 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246164177 804181300 /nfs/dbraw/zinc/18/13/00/804181300.db2.gz TZWFRHNHXZNMNN-WFASDCNBSA-N 2 2 282.378 3.139 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC001246168684 804184798 /nfs/dbraw/zinc/18/47/98/804184798.db2.gz FLPCNSWXYXUZRA-CHWSQXEVSA-N 2 2 252.427 3.321 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195447 804203785 /nfs/dbraw/zinc/20/37/85/804203785.db2.gz SIBUENDALTVLDY-CHWSQXEVSA-N 2 2 280.378 3.475 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC001246280007 804256833 /nfs/dbraw/zinc/25/68/33/804256833.db2.gz PMHDVAKMMXQHLJ-OALUTQOASA-N 2 2 280.415 3.142 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246287806 804261159 /nfs/dbraw/zinc/26/11/59/804261159.db2.gz LGXLTCPTAXPXOJ-OAUYIBNBSA-N 2 2 276.399 3.397 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC001246293110 804262424 /nfs/dbraw/zinc/26/24/24/804262424.db2.gz AHVLTXKEGBVVMH-ZJUUUORDSA-N 2 2 258.768 3.128 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+]C1c2ccccc2Oc2ccccc21 ZINC001246325433 804282561 /nfs/dbraw/zinc/28/25/61/804282561.db2.gz JFAPRTGBAGBYKD-ZDUSSCGKSA-N 2 2 282.387 3.469 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331295 804286311 /nfs/dbraw/zinc/28/63/11/804286311.db2.gz OCJDXYSJCKUVPC-YWPYICTPSA-N 2 2 282.428 3.036 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246334897 804289919 /nfs/dbraw/zinc/28/99/19/804289919.db2.gz FUOJVFOVTIFHFW-HUUCEWRRSA-N 2 2 272.502 3.420 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246355280 804302071 /nfs/dbraw/zinc/30/20/71/804302071.db2.gz AXFPCDLJCLDJQO-KGLIPLIRSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001139887368 804312666 /nfs/dbraw/zinc/31/26/66/804312666.db2.gz OYJMDNFKVGZGOC-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139887368 804312672 /nfs/dbraw/zinc/31/26/72/804312672.db2.gz OYJMDNFKVGZGOC-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139887368 804312678 /nfs/dbraw/zinc/31/26/78/804312678.db2.gz OYJMDNFKVGZGOC-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139887368 804312686 /nfs/dbraw/zinc/31/26/86/804312686.db2.gz OYJMDNFKVGZGOC-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Clc1cccnc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246461214 804341241 /nfs/dbraw/zinc/34/12/41/804341241.db2.gz XOJIUBYZWYGYTH-YOOVYSLHSA-N 2 2 291.826 3.059 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C[NH2+]1 ZINC001246461234 804343041 /nfs/dbraw/zinc/34/30/41/804343041.db2.gz XQWKHDUWDZCNKJ-XYPHTWIQSA-N 2 2 258.409 3.258 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1c(F)cccc1F ZINC001246469436 804348289 /nfs/dbraw/zinc/34/82/89/804348289.db2.gz QGXKQUHHYLBQMP-WDMOLILDSA-N 2 2 268.351 3.146 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)C1 ZINC001140021136 804353289 /nfs/dbraw/zinc/35/32/89/804353289.db2.gz ICSDSCDWUAGREN-CYBMUJFWSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)C1 ZINC001140021136 804353298 /nfs/dbraw/zinc/35/32/98/804353298.db2.gz ICSDSCDWUAGREN-CYBMUJFWSA-N 2 2 255.365 3.023 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)CCC(C)C)c1 ZINC001246508828 804368254 /nfs/dbraw/zinc/36/82/54/804368254.db2.gz FEKOSMXCLXGFFH-CZUORRHYSA-N 2 2 264.413 3.109 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)Cc2ccc(C)cc2)c1 ZINC001246513008 804368337 /nfs/dbraw/zinc/36/83/37/804368337.db2.gz UPILVAJANZZQBM-BEFAXECRSA-N 2 2 298.430 3.224 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC001246511756 804368510 /nfs/dbraw/zinc/36/85/10/804368510.db2.gz RJWINZQENGHELN-SHFYGJNESA-N 2 2 276.424 3.109 20 0 CGADLP CCCC(CCC)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246513535 804369567 /nfs/dbraw/zinc/36/95/67/804369567.db2.gz XVQWYODGNLUIPS-INIZCTEOSA-N 2 2 264.413 3.253 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560853 804410145 /nfs/dbraw/zinc/41/01/45/804410145.db2.gz UJNARSQOQMRLEN-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560853 804410147 /nfs/dbraw/zinc/41/01/47/804410147.db2.gz UJNARSQOQMRLEN-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573414 804421020 /nfs/dbraw/zinc/42/10/20/804421020.db2.gz CERLKFDGIOPZOB-GJZGRUSLSA-N 2 2 256.409 3.274 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573414 804421022 /nfs/dbraw/zinc/42/10/22/804421022.db2.gz CERLKFDGIOPZOB-GJZGRUSLSA-N 2 2 256.409 3.274 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596022 804437407 /nfs/dbraw/zinc/43/74/07/804437407.db2.gz YOELQJCFLCWNBL-BYCMXARLSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596022 804437411 /nfs/dbraw/zinc/43/74/11/804437411.db2.gz YOELQJCFLCWNBL-BYCMXARLSA-N 2 2 284.806 3.032 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620038 804454067 /nfs/dbraw/zinc/45/40/67/804454067.db2.gz PNIJDMQNPLUKEX-KCMWZYNZSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620038 804454069 /nfs/dbraw/zinc/45/40/69/804454069.db2.gz PNIJDMQNPLUKEX-KCMWZYNZSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246640425 804467683 /nfs/dbraw/zinc/46/76/83/804467683.db2.gz CRWJDVGZORZBRJ-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640425 804467687 /nfs/dbraw/zinc/46/76/87/804467687.db2.gz CRWJDVGZORZBRJ-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246649324 804477127 /nfs/dbraw/zinc/47/71/27/804477127.db2.gz XMJAUWRKBZKMMT-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246649324 804477132 /nfs/dbraw/zinc/47/71/32/804477132.db2.gz XMJAUWRKBZKMMT-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649500 804477568 /nfs/dbraw/zinc/47/75/68/804477568.db2.gz BVTAKLQSTHJGSM-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649500 804477573 /nfs/dbraw/zinc/47/75/73/804477573.db2.gz BVTAKLQSTHJGSM-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246652571 804479134 /nfs/dbraw/zinc/47/91/34/804479134.db2.gz GCFFQJMMJDNOGR-YQQAZPJKSA-N 2 2 262.441 3.303 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246652571 804479138 /nfs/dbraw/zinc/47/91/38/804479138.db2.gz GCFFQJMMJDNOGR-YQQAZPJKSA-N 2 2 262.441 3.303 20 0 CGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)c1 ZINC001140677705 804488367 /nfs/dbraw/zinc/48/83/67/804488367.db2.gz VVLZFUHCTHSYMA-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)c1 ZINC001140677705 804488371 /nfs/dbraw/zinc/48/83/71/804488371.db2.gz VVLZFUHCTHSYMA-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666426 804488556 /nfs/dbraw/zinc/48/85/56/804488556.db2.gz UYQNCWAWPVVVJO-HUHSQHJXSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666426 804488560 /nfs/dbraw/zinc/48/85/60/804488560.db2.gz UYQNCWAWPVVVJO-HUHSQHJXSA-N 2 2 270.420 3.136 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246680977 804494392 /nfs/dbraw/zinc/49/43/92/804494392.db2.gz YMIOZGHMUVNZNO-LSDHHAIUSA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246680977 804494395 /nfs/dbraw/zinc/49/43/95/804494395.db2.gz YMIOZGHMUVNZNO-LSDHHAIUSA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001246680974 804494609 /nfs/dbraw/zinc/49/46/09/804494609.db2.gz YMIOZGHMUVNZNO-CABCVRRESA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001246680974 804494615 /nfs/dbraw/zinc/49/46/15/804494615.db2.gz YMIOZGHMUVNZNO-CABCVRRESA-N 2 2 278.465 3.159 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829003 804538574 /nfs/dbraw/zinc/53/85/74/804538574.db2.gz HBMNRBYREHTSHJ-KYOSRNDESA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829003 804538579 /nfs/dbraw/zinc/53/85/79/804538579.db2.gz HBMNRBYREHTSHJ-KYOSRNDESA-N 2 2 298.352 3.245 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001246832386 804541391 /nfs/dbraw/zinc/54/13/91/804541391.db2.gz BLQXLSKAWVYGSA-SOUVJXGZSA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001246832386 804541393 /nfs/dbraw/zinc/54/13/93/804541393.db2.gz BLQXLSKAWVYGSA-SOUVJXGZSA-N 2 2 268.420 3.251 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnccc2C)CC1 ZINC001141037562 804577305 /nfs/dbraw/zinc/57/73/05/804577305.db2.gz WUEACUOTAQFZNB-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnccc2C)CC1 ZINC001141037562 804577308 /nfs/dbraw/zinc/57/73/08/804577308.db2.gz WUEACUOTAQFZNB-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887984 804582126 /nfs/dbraw/zinc/58/21/26/804582126.db2.gz RRMPKJMWGXUNAN-PVXIVEMSSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887984 804582134 /nfs/dbraw/zinc/58/21/34/804582134.db2.gz RRMPKJMWGXUNAN-PVXIVEMSSA-N 2 2 280.362 3.242 20 0 CGADLP CCSC[C@@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924440 804603789 /nfs/dbraw/zinc/60/37/89/804603789.db2.gz MNCXILKUMATLQA-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CCSC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924440 804603791 /nfs/dbraw/zinc/60/37/91/804603791.db2.gz MNCXILKUMATLQA-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246940113 804610431 /nfs/dbraw/zinc/61/04/31/804610431.db2.gz XBZPNZWCNGRTCW-XJKSGUPXSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H](C)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246940113 804610436 /nfs/dbraw/zinc/61/04/36/804610436.db2.gz XBZPNZWCNGRTCW-XJKSGUPXSA-N 2 2 264.388 3.178 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946573 804614773 /nfs/dbraw/zinc/61/47/73/804614773.db2.gz QXQBMGGUABEWEF-SJORKVTESA-N 2 2 278.415 3.161 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946573 804614776 /nfs/dbraw/zinc/61/47/76/804614776.db2.gz QXQBMGGUABEWEF-SJORKVTESA-N 2 2 278.415 3.161 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC(C)(C)C ZINC001141243014 804622175 /nfs/dbraw/zinc/62/21/75/804622175.db2.gz SFHKBXMASYPRGF-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC(C)(C)C ZINC001141243014 804622178 /nfs/dbraw/zinc/62/21/78/804622178.db2.gz SFHKBXMASYPRGF-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001165291026 806988630 /nfs/dbraw/zinc/98/86/30/806988630.db2.gz YBOVZDYGEKMSPD-HNNXBMFYSA-N 2 2 298.434 3.231 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001165291026 806988634 /nfs/dbraw/zinc/98/86/34/806988634.db2.gz YBOVZDYGEKMSPD-HNNXBMFYSA-N 2 2 298.434 3.231 20 0 CGADLP C[C@H]1CC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC001257084891 807047477 /nfs/dbraw/zinc/04/74/77/807047477.db2.gz GVPNEZUMAGLSSP-STQMWFEESA-N 2 2 285.391 3.137 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155086756 805537980 /nfs/dbraw/zinc/53/79/80/805537980.db2.gz FUYZGBBPNOQJBA-SFHVURJKSA-N 2 2 293.414 3.118 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c1 ZINC001155086756 805537987 /nfs/dbraw/zinc/53/79/87/805537987.db2.gz FUYZGBBPNOQJBA-SFHVURJKSA-N 2 2 293.414 3.118 20 0 CGADLP C[C@H]1CCCCN1c1cccc(NCc2cc[nH+]c(N)c2)[nH+]1 ZINC001167616987 807216910 /nfs/dbraw/zinc/21/69/10/807216910.db2.gz ISCNUWXLXGFYTD-ZDUSSCGKSA-N 2 2 297.406 3.050 20 0 CGADLP C[C@H]1CC([N@H+]2C=C(N)C=CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025399 807300557 /nfs/dbraw/zinc/30/05/57/807300557.db2.gz KBDZHNIPTQAAPY-HOTGVXAUSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@H]1CC([N@@H+]2C=C(N)C=CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025399 807300563 /nfs/dbraw/zinc/30/05/63/807300563.db2.gz KBDZHNIPTQAAPY-HOTGVXAUSA-N 2 2 297.446 3.100 20 0 CGADLP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387664 807400009 /nfs/dbraw/zinc/40/00/09/807400009.db2.gz OMGPQFIIMHQNNU-UHFFFAOYSA-N 2 2 293.842 3.041 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](CC2CC2)CC1 ZINC001168387664 807400014 /nfs/dbraw/zinc/40/00/14/807400014.db2.gz OMGPQFIIMHQNNU-UHFFFAOYSA-N 2 2 293.842 3.041 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC(C)(C)C1 ZINC001258292359 807400780 /nfs/dbraw/zinc/40/07/80/807400780.db2.gz SWDGQSHUXVLNMR-OAHLLOKOSA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC(C)(C)C1 ZINC001258292359 807400783 /nfs/dbraw/zinc/40/07/83/807400783.db2.gz SWDGQSHUXVLNMR-OAHLLOKOSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1[nH+]ccc(N2C[C@@H](CC[NH3+])c3ccccc32)c1F ZINC001168548320 807442801 /nfs/dbraw/zinc/44/28/01/807442801.db2.gz LBCYGDWFHQWMGK-GFCCVEGCSA-N 2 2 271.339 3.113 20 0 CGADLP CCCCC[C@@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258433612 807447841 /nfs/dbraw/zinc/44/78/41/807447841.db2.gz BBKHITBCXXUWJM-CQSZACIVSA-N 2 2 250.386 3.409 20 0 CGADLP CCCCC[C@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258440129 807451361 /nfs/dbraw/zinc/45/13/61/807451361.db2.gz MZSQQMVQILFSNU-AWEZNQCLSA-N 2 2 263.429 3.411 20 0 CGADLP C[C@H](CC1CC1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258456519 807461556 /nfs/dbraw/zinc/46/15/56/807461556.db2.gz MWCABISRLLQHJN-GFCCVEGCSA-N 2 2 255.365 3.370 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258598149 807497209 /nfs/dbraw/zinc/49/72/09/807497209.db2.gz GGLCMVKFSMGNDJ-KGLIPLIRSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258598149 807497215 /nfs/dbraw/zinc/49/72/15/807497215.db2.gz GGLCMVKFSMGNDJ-KGLIPLIRSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603891 807502356 /nfs/dbraw/zinc/50/23/56/807502356.db2.gz RIBPEOUCWOTUCS-BQFCYCMXSA-N 2 2 299.462 3.024 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001168769078 807508723 /nfs/dbraw/zinc/50/87/23/807508723.db2.gz LQSCHVVMRUNLSK-UHFFFAOYSA-N 2 2 290.386 3.011 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258649579 807522194 /nfs/dbraw/zinc/52/21/94/807522194.db2.gz LGAVKPQCBWCGNR-AEFFLSMTSA-N 2 2 274.452 3.472 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+]([C@@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705920 807559682 /nfs/dbraw/zinc/55/96/82/807559682.db2.gz ZRWQGPHDVSIJKL-GVDBMIGSSA-N 2 2 296.499 3.244 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+]([C@@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705920 807559689 /nfs/dbraw/zinc/55/96/89/807559689.db2.gz ZRWQGPHDVSIJKL-GVDBMIGSSA-N 2 2 296.499 3.244 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001169049390 807560079 /nfs/dbraw/zinc/56/00/79/807560079.db2.gz GTSHFVRWTYSQJV-KRWDZBQOSA-N 2 2 271.408 3.130 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001169079079 807567157 /nfs/dbraw/zinc/56/71/57/807567157.db2.gz IQUHQOIMXMFWBX-ZSOGYDGISA-N 2 2 264.800 3.055 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001169079079 807567162 /nfs/dbraw/zinc/56/71/62/807567162.db2.gz IQUHQOIMXMFWBX-ZSOGYDGISA-N 2 2 264.800 3.055 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153008 807594208 /nfs/dbraw/zinc/59/42/08/807594208.db2.gz GBAWKHACYMSADB-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153008 807594214 /nfs/dbraw/zinc/59/42/14/807594214.db2.gz GBAWKHACYMSADB-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153008 807594218 /nfs/dbraw/zinc/59/42/18/807594218.db2.gz GBAWKHACYMSADB-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153008 807594223 /nfs/dbraw/zinc/59/42/23/807594223.db2.gz GBAWKHACYMSADB-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP CCCC[C@H](CCC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258759867 807598595 /nfs/dbraw/zinc/59/85/95/807598595.db2.gz ZMMGDTAAHWGEJD-AWEZNQCLSA-N 2 2 250.386 3.409 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258842988 807653516 /nfs/dbraw/zinc/65/35/16/807653516.db2.gz WLOAEUXYNLKEHF-OALUTQOASA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258842988 807653521 /nfs/dbraw/zinc/65/35/21/807653521.db2.gz WLOAEUXYNLKEHF-OALUTQOASA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001169496621 807654028 /nfs/dbraw/zinc/65/40/28/807654028.db2.gz UPYXSVNWBQLNMN-GOEBONIOSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001169496621 807654032 /nfs/dbraw/zinc/65/40/32/807654032.db2.gz UPYXSVNWBQLNMN-GOEBONIOSA-N 2 2 269.392 3.493 20 0 CGADLP COc1ccccc1C[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258893480 807666254 /nfs/dbraw/zinc/66/62/54/807666254.db2.gz JZYSNITXFHBMDT-GOEBONIOSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)CCC[C@@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001170087744 807752134 /nfs/dbraw/zinc/75/21/34/807752134.db2.gz KNFIRZQRFSBIMB-GOSISDBHSA-N 3 2 299.547 3.407 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CCCC(C)C ZINC001170090814 807754499 /nfs/dbraw/zinc/75/44/99/807754499.db2.gz PYJOAZZOPNRTJR-OAHLLOKOSA-N 2 2 251.418 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CCCC(C)C ZINC001170090814 807754500 /nfs/dbraw/zinc/75/45/00/807754500.db2.gz PYJOAZZOPNRTJR-OAHLLOKOSA-N 2 2 251.418 3.420 20 0 CGADLP Cc1ccc(N([C@@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001170160434 807781788 /nfs/dbraw/zinc/78/17/88/807781788.db2.gz ZFENINSJZASPHK-CZUORRHYSA-N 2 2 273.424 3.137 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001170290941 807819210 /nfs/dbraw/zinc/81/92/10/807819210.db2.gz FARXNRQYQZUWBM-CQSZACIVSA-N 2 2 292.854 3.441 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767920 807903899 /nfs/dbraw/zinc/90/38/99/807903899.db2.gz SILAVKCWVIFMMV-FPCVCCKLSA-N 2 2 286.419 3.278 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767920 807903900 /nfs/dbraw/zinc/90/39/00/807903900.db2.gz SILAVKCWVIFMMV-FPCVCCKLSA-N 2 2 286.419 3.278 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170997996 807953935 /nfs/dbraw/zinc/95/39/35/807953935.db2.gz UOAUYWYBVNNTIR-MRXNPFEDSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(F)c2C1 ZINC001170997996 807953939 /nfs/dbraw/zinc/95/39/39/807953939.db2.gz UOAUYWYBVNNTIR-MRXNPFEDSA-N 2 2 290.426 3.099 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171016970 807961662 /nfs/dbraw/zinc/96/16/62/807961662.db2.gz CYSQACMMBBPPLP-UKRRQHHQSA-N 2 2 292.854 3.271 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171034212 807966579 /nfs/dbraw/zinc/96/65/79/807966579.db2.gz SRTXASLJILWXMC-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171034212 807966582 /nfs/dbraw/zinc/96/65/82/807966582.db2.gz SRTXASLJILWXMC-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP Cc1cc[nH+]c(C)c1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171096591 807982594 /nfs/dbraw/zinc/98/25/94/807982594.db2.gz ZDWBVUNMIJSGNA-CQSZACIVSA-N 2 2 291.398 3.458 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001171559499 808095313 /nfs/dbraw/zinc/09/53/13/808095313.db2.gz HCBHFBQNQBVBQM-ROUUACIJSA-N 2 2 286.463 3.172 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001171559499 808095320 /nfs/dbraw/zinc/09/53/20/808095320.db2.gz HCBHFBQNQBVBQM-ROUUACIJSA-N 2 2 286.463 3.172 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(C)cccc2C1 ZINC001171570378 808099129 /nfs/dbraw/zinc/09/91/29/808099129.db2.gz KKLCOCWDESNUAY-GOSISDBHSA-N 2 2 286.463 3.268 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(C)cccc2C1 ZINC001171570378 808099142 /nfs/dbraw/zinc/09/91/42/808099142.db2.gz KKLCOCWDESNUAY-GOSISDBHSA-N 2 2 286.463 3.268 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001171679726 808122197 /nfs/dbraw/zinc/12/21/97/808122197.db2.gz NKTUWRFBEADMCC-INIZCTEOSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001171679726 808122201 /nfs/dbraw/zinc/12/22/01/808122201.db2.gz NKTUWRFBEADMCC-INIZCTEOSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172100202 808172755 /nfs/dbraw/zinc/17/27/55/808172755.db2.gz AWOSEUFRHXRONC-BTTYYORXSA-N 2 2 294.389 3.378 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172100202 808172759 /nfs/dbraw/zinc/17/27/59/808172759.db2.gz AWOSEUFRHXRONC-BTTYYORXSA-N 2 2 294.389 3.378 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172349090 808246523 /nfs/dbraw/zinc/24/65/23/808246523.db2.gz LBWDEVUUZOJFQD-UONOGXRCSA-N 2 2 275.396 3.018 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@H]1C ZINC001172370659 808265568 /nfs/dbraw/zinc/26/55/68/808265568.db2.gz QHILXERNEDZTJF-TUVASFSCSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@H]1C ZINC001172370659 808265575 /nfs/dbraw/zinc/26/55/75/808265575.db2.gz QHILXERNEDZTJF-TUVASFSCSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383799 808277647 /nfs/dbraw/zinc/27/76/47/808277647.db2.gz RYPUSNGXUWNSSU-OVYGPGRDSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383799 808277651 /nfs/dbraw/zinc/27/76/51/808277651.db2.gz RYPUSNGXUWNSSU-OVYGPGRDSA-N 2 2 282.447 3.319 20 0 CGADLP CC[C@H](CC(C)C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001172404774 808293427 /nfs/dbraw/zinc/29/34/27/808293427.db2.gz LFUAGOFIFYJGBF-OAHLLOKOSA-N 2 2 291.439 3.037 20 0 CGADLP CC(C)COCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172460907 808331067 /nfs/dbraw/zinc/33/10/67/808331067.db2.gz VTWCHBJYEQUFBV-SJORKVTESA-N 2 2 284.488 3.148 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644634 808407561 /nfs/dbraw/zinc/40/75/61/808407561.db2.gz WMZPPKVLXOXRGJ-UHFFFAOYSA-N 2 2 270.461 3.044 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644634 808407563 /nfs/dbraw/zinc/40/75/63/808407563.db2.gz WMZPPKVLXOXRGJ-UHFFFAOYSA-N 2 2 270.461 3.044 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172855333 808463046 /nfs/dbraw/zinc/46/30/46/808463046.db2.gz YRVDOUPGEJTGQX-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172855333 808463048 /nfs/dbraw/zinc/46/30/48/808463048.db2.gz YRVDOUPGEJTGQX-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP CO[C@H]1CCC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001172928883 808485914 /nfs/dbraw/zinc/48/59/14/808485914.db2.gz MEXUQTJXCSBTQG-HOTGVXAUSA-N 2 2 285.391 3.139 20 0 CGADLP CO[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949052 808493414 /nfs/dbraw/zinc/49/34/14/808493414.db2.gz HPKBIIVSEVUPEL-MSOLQXFVSA-N 2 2 299.418 3.262 20 0 CGADLP CO[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949052 808493421 /nfs/dbraw/zinc/49/34/21/808493421.db2.gz HPKBIIVSEVUPEL-MSOLQXFVSA-N 2 2 299.418 3.262 20 0 CGADLP CCCOC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC001173086221 808503564 /nfs/dbraw/zinc/50/35/64/808503564.db2.gz RZJOUUJHXIZRSY-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH+](CC)C1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001173105403 808510542 /nfs/dbraw/zinc/51/05/42/808510542.db2.gz SHBXPFXPOPJXQV-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173260940 808566532 /nfs/dbraw/zinc/56/65/32/808566532.db2.gz VGLFSSAUYIALOL-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173260940 808566538 /nfs/dbraw/zinc/56/65/38/808566538.db2.gz VGLFSSAUYIALOL-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282066 808584705 /nfs/dbraw/zinc/58/47/05/808584705.db2.gz CTJRVWQSIACWEU-OWCLPIDISA-N 2 2 274.408 3.422 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282066 808584711 /nfs/dbraw/zinc/58/47/11/808584711.db2.gz CTJRVWQSIACWEU-OWCLPIDISA-N 2 2 274.408 3.422 20 0 CGADLP CCOc1cc[nH+]cc1Nc1ccccc1C[NH+](C)C ZINC001173929403 808768009 /nfs/dbraw/zinc/76/80/09/808768009.db2.gz POFWTIGPPNCYCY-UHFFFAOYSA-N 2 2 271.364 3.286 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCO[C@@]2(CCC[NH+](CC)C2)C1 ZINC001275084783 808906403 /nfs/dbraw/zinc/90/64/03/808906403.db2.gz FWPUCBHTPOUIOQ-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCO[C@@]2(CCC[NH+](CC)C2)C1 ZINC001275084783 808906410 /nfs/dbraw/zinc/90/64/10/808906410.db2.gz FWPUCBHTPOUIOQ-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCO[C@@]2(CCC[N@H+](CC)C2)C1 ZINC001275084783 808906413 /nfs/dbraw/zinc/90/64/13/808906413.db2.gz FWPUCBHTPOUIOQ-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCO[C@@]2(CCC[N@@H+](CC)C2)C1 ZINC001275084783 808906417 /nfs/dbraw/zinc/90/64/17/808906417.db2.gz FWPUCBHTPOUIOQ-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001275103272 808908870 /nfs/dbraw/zinc/90/88/70/808908870.db2.gz IEJMRTMVALGEEJ-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001275103272 808908875 /nfs/dbraw/zinc/90/88/75/808908875.db2.gz IEJMRTMVALGEEJ-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001275103272 808908880 /nfs/dbraw/zinc/90/88/80/808908880.db2.gz IEJMRTMVALGEEJ-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001275103272 808908886 /nfs/dbraw/zinc/90/88/86/808908886.db2.gz IEJMRTMVALGEEJ-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CC(C)n1c[nH+]c2cc(Nc3[nH+]ccn3C)ccc21 ZINC001174380826 808985953 /nfs/dbraw/zinc/98/59/53/808985953.db2.gz LUGFZSAYPISRHU-UHFFFAOYSA-N 2 2 255.325 3.094 20 0 CGADLP Cc1ccc(C)c(Nc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001174448439 809017698 /nfs/dbraw/zinc/01/76/98/809017698.db2.gz TUMNIKDMLGUCPD-UHFFFAOYSA-N 2 2 297.402 3.274 20 0 CGADLP CC(C)[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001277799600 809096373 /nfs/dbraw/zinc/09/63/73/809096373.db2.gz ZSAXZSYOYKMWEU-UHFFFAOYSA-N 2 2 297.446 3.127 20 0 CGADLP CC(C)[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001277799600 809096378 /nfs/dbraw/zinc/09/63/78/809096378.db2.gz ZSAXZSYOYKMWEU-UHFFFAOYSA-N 2 2 297.446 3.127 20 0 CGADLP Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C)[nH+]1 ZINC001174812088 809169713 /nfs/dbraw/zinc/16/97/13/809169713.db2.gz AQSHUVBHCYPLCQ-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP COc1cc[nH+]cc1Nc1ccccc1C[NH+]1CCCC1 ZINC001176120787 809628077 /nfs/dbraw/zinc/62/80/77/809628077.db2.gz LUQLNLJMDQALAH-UHFFFAOYSA-N 2 2 283.375 3.430 20 0 CGADLP CCc1cccc(Nc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001176224454 809650387 /nfs/dbraw/zinc/65/03/87/809650387.db2.gz VQPWHBFVQZKFNX-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046667 810135504 /nfs/dbraw/zinc/13/55/04/810135504.db2.gz ZPNVKKVQZLMJIO-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046667 810135507 /nfs/dbraw/zinc/13/55/07/810135507.db2.gz ZPNVKKVQZLMJIO-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC001184206981 810182947 /nfs/dbraw/zinc/18/29/47/810182947.db2.gz PJNWIUJVQAYDPE-SOUVJXGZSA-N 2 2 272.502 3.082 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001198991988 811555424 /nfs/dbraw/zinc/55/54/24/811555424.db2.gz URUCGXPDHHOPAB-HZPDHXFCSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001202281786 812055931 /nfs/dbraw/zinc/05/59/31/812055931.db2.gz WNUNUJSSYWNDKT-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001202281786 812055935 /nfs/dbraw/zinc/05/59/35/812055935.db2.gz WNUNUJSSYWNDKT-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001202986245 812214485 /nfs/dbraw/zinc/21/44/85/812214485.db2.gz ONDQDIMEAKNJKM-QZTJIDSGSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001202986245 812214491 /nfs/dbraw/zinc/21/44/91/812214491.db2.gz ONDQDIMEAKNJKM-QZTJIDSGSA-N 2 2 272.436 3.356 20 0 CGADLP Cc1ccsc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001204023095 812523800 /nfs/dbraw/zinc/52/38/00/812523800.db2.gz ARYDNZALIJMDLY-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP Cc1ccsc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001204023095 812523803 /nfs/dbraw/zinc/52/38/03/812523803.db2.gz ARYDNZALIJMDLY-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204168228 812563051 /nfs/dbraw/zinc/56/30/51/812563051.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204168228 812563054 /nfs/dbraw/zinc/56/30/54/812563054.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204168228 812563057 /nfs/dbraw/zinc/56/30/57/812563057.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204168228 812563060 /nfs/dbraw/zinc/56/30/60/812563060.db2.gz KLNASFTXXMKPNR-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001204854235 812755150 /nfs/dbraw/zinc/75/51/50/812755150.db2.gz JFYILDKTYDMQPI-INIZCTEOSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001204854235 812755153 /nfs/dbraw/zinc/75/51/53/812755153.db2.gz JFYILDKTYDMQPI-INIZCTEOSA-N 2 2 278.827 3.230 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2-c2cccs2)CC12CC2 ZINC001204903772 812769617 /nfs/dbraw/zinc/76/96/17/812769617.db2.gz DIGIPNNYDPRPKS-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2-c2cccs2)CC12CC2 ZINC001204903772 812769623 /nfs/dbraw/zinc/76/96/23/812769623.db2.gz DIGIPNNYDPRPKS-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204932824 812782427 /nfs/dbraw/zinc/78/24/27/812782427.db2.gz NDOVXNQJCHPZBV-MRXNPFEDSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204932824 812782430 /nfs/dbraw/zinc/78/24/30/812782430.db2.gz NDOVXNQJCHPZBV-MRXNPFEDSA-N 2 2 290.451 3.404 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001204933509 812783969 /nfs/dbraw/zinc/78/39/69/812783969.db2.gz VDXQJYBNKZZQMR-AWEZNQCLSA-N 2 2 287.382 3.134 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001204933509 812783972 /nfs/dbraw/zinc/78/39/72/812783972.db2.gz VDXQJYBNKZZQMR-AWEZNQCLSA-N 2 2 287.382 3.134 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@](C)([NH3+])C3)c[nH]c21 ZINC001204939841 812788334 /nfs/dbraw/zinc/78/83/34/812788334.db2.gz UWDJNEDNWFQEOX-QGZVFWFLSA-N 2 2 271.408 3.044 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@](C)([NH3+])C3)c[nH]c21 ZINC001204939841 812788340 /nfs/dbraw/zinc/78/83/40/812788340.db2.gz UWDJNEDNWFQEOX-QGZVFWFLSA-N 2 2 271.408 3.044 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018657 812828133 /nfs/dbraw/zinc/82/81/33/812828133.db2.gz XDGGPARTZUJKRN-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018657 812828136 /nfs/dbraw/zinc/82/81/36/812828136.db2.gz XDGGPARTZUJKRN-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205076834 812850019 /nfs/dbraw/zinc/85/00/19/812850019.db2.gz WZQGCMRARNRCIK-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205076834 812850024 /nfs/dbraw/zinc/85/00/24/812850024.db2.gz WZQGCMRARNRCIK-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205083078 812853981 /nfs/dbraw/zinc/85/39/81/812853981.db2.gz OMPOVGYBRHBGMF-UGSOOPFHSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001205083078 812853990 /nfs/dbraw/zinc/85/39/90/812853990.db2.gz OMPOVGYBRHBGMF-UGSOOPFHSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205083092 812854315 /nfs/dbraw/zinc/85/43/15/812854315.db2.gz PIERBFNYTQAOBN-JSGCOSHPSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205083092 812854320 /nfs/dbraw/zinc/85/43/20/812854320.db2.gz PIERBFNYTQAOBN-JSGCOSHPSA-N 2 2 287.382 3.132 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC001205102590 812866826 /nfs/dbraw/zinc/86/68/26/812866826.db2.gz TXOZWZDRVXMMEW-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC001205102590 812866836 /nfs/dbraw/zinc/86/68/36/812866836.db2.gz TXOZWZDRVXMMEW-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001205124275 812877292 /nfs/dbraw/zinc/87/72/92/812877292.db2.gz NCIMCGOUPLRPCW-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001205124275 812877302 /nfs/dbraw/zinc/87/73/02/812877302.db2.gz NCIMCGOUPLRPCW-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205316462 812949740 /nfs/dbraw/zinc/94/97/40/812949740.db2.gz JEZBCJAWBUWHNH-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205316462 812949743 /nfs/dbraw/zinc/94/97/43/812949743.db2.gz JEZBCJAWBUWHNH-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205331573 812959616 /nfs/dbraw/zinc/95/96/16/812959616.db2.gz ISFPACCCSNOCHB-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205331573 812959620 /nfs/dbraw/zinc/95/96/20/812959620.db2.gz ISFPACCCSNOCHB-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@@H]1[NH3+] ZINC001205888975 813119943 /nfs/dbraw/zinc/11/99/43/813119943.db2.gz MJGXRDYURDRFOG-KUHUBIRLSA-N 2 2 296.414 3.228 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@@H]1[NH3+] ZINC001205888975 813119947 /nfs/dbraw/zinc/11/99/47/813119947.db2.gz MJGXRDYURDRFOG-KUHUBIRLSA-N 2 2 296.414 3.228 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902693 813124207 /nfs/dbraw/zinc/12/42/07/813124207.db2.gz KXTBHHFVTUDCJN-VXGBXAGGSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902693 813124212 /nfs/dbraw/zinc/12/42/12/813124212.db2.gz KXTBHHFVTUDCJN-VXGBXAGGSA-N 2 2 291.826 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(F)cc1Cl ZINC001205925760 813136824 /nfs/dbraw/zinc/13/68/24/813136824.db2.gz ZGMKCUWPRLAQPG-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(F)cc1Cl ZINC001205925760 813136825 /nfs/dbraw/zinc/13/68/25/813136825.db2.gz ZGMKCUWPRLAQPG-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001206351526 813300434 /nfs/dbraw/zinc/30/04/34/813300434.db2.gz DPUCLFFPAJYFPQ-OAHLLOKOSA-N 2 2 286.341 3.277 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206351526 813300443 /nfs/dbraw/zinc/30/04/43/813300443.db2.gz DPUCLFFPAJYFPQ-OAHLLOKOSA-N 2 2 286.341 3.277 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001206548265 813348387 /nfs/dbraw/zinc/34/83/87/813348387.db2.gz ILSAPDXOHLLLDQ-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001206548265 813348392 /nfs/dbraw/zinc/34/83/92/813348392.db2.gz ILSAPDXOHLLLDQ-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP Cc1cc[nH+]c2cc(Nc3cc[nH+]c(N)c3)ccc12 ZINC001206568189 813356090 /nfs/dbraw/zinc/35/60/90/813356090.db2.gz KPJHVMJTYPJHNS-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP COc1cccc(F)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206588985 813365934 /nfs/dbraw/zinc/36/59/34/813365934.db2.gz FCJTZYXUOXQFAH-AWEZNQCLSA-N 2 2 294.414 3.187 20 0 CGADLP COc1cccc(F)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206588985 813365942 /nfs/dbraw/zinc/36/59/42/813365942.db2.gz FCJTZYXUOXQFAH-AWEZNQCLSA-N 2 2 294.414 3.187 20 0 CGADLP CCOc1ccc2ccccc2c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206718219 813406722 /nfs/dbraw/zinc/40/67/22/813406722.db2.gz MIONVVAXTOTXDB-UHFFFAOYSA-N 2 2 284.403 3.019 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206769426 813431858 /nfs/dbraw/zinc/43/18/58/813431858.db2.gz PDJBNQSDFRYGTI-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206769426 813431862 /nfs/dbraw/zinc/43/18/62/813431862.db2.gz PDJBNQSDFRYGTI-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001207059080 813476536 /nfs/dbraw/zinc/47/65/36/813476536.db2.gz SUPXXVVJXDAJRW-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001207059080 813476544 /nfs/dbraw/zinc/47/65/44/813476544.db2.gz SUPXXVVJXDAJRW-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191961 813512569 /nfs/dbraw/zinc/51/25/69/813512569.db2.gz NXYWSIYDNBSPFV-YOEHRIQHSA-N 2 2 290.838 3.224 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191961 813512576 /nfs/dbraw/zinc/51/25/76/813512576.db2.gz NXYWSIYDNBSPFV-YOEHRIQHSA-N 2 2 290.838 3.224 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)CC(C)(C)C[NH+](C)C ZINC001207282259 813533389 /nfs/dbraw/zinc/53/33/89/813533389.db2.gz FQTWFXYCFOLOTP-UHFFFAOYSA-N 2 2 266.404 3.235 20 0 CGADLP CC[N@H+](Cc1ccccc1F)CC(C)(C)C[NH+](C)C ZINC001207282259 813533381 /nfs/dbraw/zinc/53/33/81/813533381.db2.gz FQTWFXYCFOLOTP-UHFFFAOYSA-N 2 2 266.404 3.235 20 0 CGADLP CC[N@H+](CC[C@H](C)CCCC(C)(C)O)C1CC[NH+](C)CC1 ZINC001207671094 813630328 /nfs/dbraw/zinc/63/03/28/813630328.db2.gz RREKMHATFXFSMW-MRXNPFEDSA-N 2 2 298.515 3.370 20 0 CGADLP CC[N@@H+](CC[C@H](C)CCCC(C)(C)O)C1CC[NH+](C)CC1 ZINC001207671094 813630332 /nfs/dbraw/zinc/63/03/32/813630332.db2.gz RREKMHATFXFSMW-MRXNPFEDSA-N 2 2 298.515 3.370 20 0 CGADLP c1ccc(C2(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)CC2)cc1 ZINC001207832846 813656574 /nfs/dbraw/zinc/65/65/74/813656574.db2.gz SZXXEQBMCYUGHU-UHFFFAOYSA-N 2 2 296.458 3.136 20 0 CGADLP c1ccc(C2(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)CC2)cc1 ZINC001207832846 813656579 /nfs/dbraw/zinc/65/65/79/813656579.db2.gz SZXXEQBMCYUGHU-UHFFFAOYSA-N 2 2 296.458 3.136 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=CC[N@H+](C)CC3)ccc12 ZINC001208909502 813895073 /nfs/dbraw/zinc/89/50/73/813895073.db2.gz BFMLNQWZFHYEAG-UHFFFAOYSA-N 2 2 253.349 3.175 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=CC[N@@H+](C)CC3)ccc12 ZINC001208909502 813895083 /nfs/dbraw/zinc/89/50/83/813895083.db2.gz BFMLNQWZFHYEAG-UHFFFAOYSA-N 2 2 253.349 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209431364 814031742 /nfs/dbraw/zinc/03/17/42/814031742.db2.gz OKGMEAZXKLHBMW-GDBMZVCRSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209431364 814031749 /nfs/dbraw/zinc/03/17/49/814031749.db2.gz OKGMEAZXKLHBMW-GDBMZVCRSA-N 2 2 290.426 3.378 20 0 CGADLP c1cc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2[nH]1 ZINC001209507058 814066969 /nfs/dbraw/zinc/06/69/69/814066969.db2.gz FUEWCOBADDRGLW-UHFFFAOYSA-N 2 2 283.419 3.228 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001209736730 814125777 /nfs/dbraw/zinc/12/57/77/814125777.db2.gz IABVYKNQBHAHCX-INIZCTEOSA-N 2 2 281.403 3.264 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001209736730 814125783 /nfs/dbraw/zinc/12/57/83/814125783.db2.gz IABVYKNQBHAHCX-INIZCTEOSA-N 2 2 281.403 3.264 20 0 CGADLP CNc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001242694245 823102475 /nfs/dbraw/zinc/10/24/75/823102475.db2.gz ONEFHGTVISRRHO-HNNXBMFYSA-N 2 2 257.381 3.155 20 0 CGADLP C[NH2+]Cc1ccc(Nc2[nH+]cccc2C2CC2)cc1 ZINC001211130765 814756051 /nfs/dbraw/zinc/75/60/51/814756051.db2.gz WWNOAJIRHZDSAN-UHFFFAOYSA-N 2 2 253.349 3.422 20 0 CGADLP Fc1cccc2c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237938 816383040 /nfs/dbraw/zinc/38/30/40/816383040.db2.gz XJLVABAJUAEMSR-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cccc2c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237938 816383052 /nfs/dbraw/zinc/38/30/52/816383052.db2.gz XJLVABAJUAEMSR-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1C ZINC001222345006 816414271 /nfs/dbraw/zinc/41/42/71/816414271.db2.gz GFXQIEXKGAFAKF-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1C ZINC001222345006 816414272 /nfs/dbraw/zinc/41/42/72/816414272.db2.gz GFXQIEXKGAFAKF-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222385829 816427687 /nfs/dbraw/zinc/42/76/87/816427687.db2.gz XVYNKBPANDNMGI-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222385829 816427693 /nfs/dbraw/zinc/42/76/93/816427693.db2.gz XVYNKBPANDNMGI-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c21 ZINC001222427533 816442206 /nfs/dbraw/zinc/44/22/06/816442206.db2.gz RLNURHLALHYHLN-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c21 ZINC001222427533 816442211 /nfs/dbraw/zinc/44/22/11/816442211.db2.gz RLNURHLALHYHLN-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc12 ZINC001222427585 816442437 /nfs/dbraw/zinc/44/24/37/816442437.db2.gz SWPZJNRYLDFJHP-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc12 ZINC001222427585 816442442 /nfs/dbraw/zinc/44/24/42/816442442.db2.gz SWPZJNRYLDFJHP-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222435518 816445403 /nfs/dbraw/zinc/44/54/03/816445403.db2.gz QEPQVKRGOIORQP-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222435518 816445406 /nfs/dbraw/zinc/44/54/06/816445406.db2.gz QEPQVKRGOIORQP-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC001231647430 818146719 /nfs/dbraw/zinc/14/67/19/818146719.db2.gz WQSDUGQFRYCGKZ-GOSISDBHSA-N 2 2 297.402 3.082 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC001231647430 818146721 /nfs/dbraw/zinc/14/67/21/818146721.db2.gz WQSDUGQFRYCGKZ-GOSISDBHSA-N 2 2 297.402 3.082 20 0 CGADLP CC[N@H+](Cc1nccc2ccccc21)C1CC[NH+](C)CC1 ZINC001232253546 818292986 /nfs/dbraw/zinc/29/29/86/818292986.db2.gz IIVCOQCEJMBPEK-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1nccc2ccccc21)C1CC[NH+](C)CC1 ZINC001232253546 818292993 /nfs/dbraw/zinc/29/29/93/818292993.db2.gz IIVCOQCEJMBPEK-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@H+](Cc1cc(Cl)cs1)C1CC[NH+](C)CC1 ZINC001232282435 818304633 /nfs/dbraw/zinc/30/46/33/818304633.db2.gz VZIZIBMISCDQIS-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)cs1)C1CC[NH+](C)CC1 ZINC001232282435 818304638 /nfs/dbraw/zinc/30/46/38/818304638.db2.gz VZIZIBMISCDQIS-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CNc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001232675169 818417770 /nfs/dbraw/zinc/41/77/70/818417770.db2.gz KLZKALPRKFRCKH-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP CNc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001232675169 818417774 /nfs/dbraw/zinc/41/77/74/818417774.db2.gz KLZKALPRKFRCKH-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912871 818473927 /nfs/dbraw/zinc/47/39/27/818473927.db2.gz YFMSLCZPJLNQSL-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912871 818473934 /nfs/dbraw/zinc/47/39/34/818473934.db2.gz YFMSLCZPJLNQSL-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912871 818473937 /nfs/dbraw/zinc/47/39/37/818473937.db2.gz YFMSLCZPJLNQSL-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912871 818473943 /nfs/dbraw/zinc/47/39/43/818473943.db2.gz YFMSLCZPJLNQSL-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233251061 818555912 /nfs/dbraw/zinc/55/59/12/818555912.db2.gz MICQPRYUVOPZCA-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c2ccccc12 ZINC001235001895 818973828 /nfs/dbraw/zinc/97/38/28/818973828.db2.gz GHEGPUZTTRPUBY-ROUUACIJSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c2ccccc12 ZINC001235001895 818973831 /nfs/dbraw/zinc/97/38/31/818973831.db2.gz GHEGPUZTTRPUBY-ROUUACIJSA-N 2 2 266.388 3.084 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccccc2)s1 ZINC001235008364 818977982 /nfs/dbraw/zinc/97/79/82/818977982.db2.gz UNGIOZZGKUEZQJ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(-c2ccccc2)s1 ZINC001235008364 818977990 /nfs/dbraw/zinc/97/79/90/818977990.db2.gz UNGIOZZGKUEZQJ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(-c2cccs2)cc1 ZINC001235009279 818979286 /nfs/dbraw/zinc/97/92/86/818979286.db2.gz YTDRUCQNBJYJHQ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(-c2cccs2)cc1 ZINC001235009279 818979292 /nfs/dbraw/zinc/97/92/92/818979292.db2.gz YTDRUCQNBJYJHQ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235038323 818987103 /nfs/dbraw/zinc/98/71/03/818987103.db2.gz GQNOQEJCZUZIBF-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235038323 818987108 /nfs/dbraw/zinc/98/71/08/818987108.db2.gz GQNOQEJCZUZIBF-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235114665 819008772 /nfs/dbraw/zinc/00/87/72/819008772.db2.gz FSBXDNMLTXUULS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235114665 819008778 /nfs/dbraw/zinc/00/87/78/819008778.db2.gz FSBXDNMLTXUULS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192950 819032447 /nfs/dbraw/zinc/03/24/47/819032447.db2.gz IQUDXQZOMOFFPB-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192950 819032453 /nfs/dbraw/zinc/03/24/53/819032453.db2.gz IQUDXQZOMOFFPB-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235219057 819038716 /nfs/dbraw/zinc/03/87/16/819038716.db2.gz PWWUNIVXVICVGA-CJNGLKHVSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235219057 819038720 /nfs/dbraw/zinc/03/87/20/819038720.db2.gz PWWUNIVXVICVGA-CJNGLKHVSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248584 819048536 /nfs/dbraw/zinc/04/85/36/819048536.db2.gz WRIHJEYURPHOPL-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248584 819048537 /nfs/dbraw/zinc/04/85/37/819048537.db2.gz WRIHJEYURPHOPL-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235257510 819053512 /nfs/dbraw/zinc/05/35/12/819053512.db2.gz IJQTYVWAFAUPLK-GOEBONIOSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235257510 819053514 /nfs/dbraw/zinc/05/35/14/819053514.db2.gz IJQTYVWAFAUPLK-GOEBONIOSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001235262179 819055864 /nfs/dbraw/zinc/05/58/64/819055864.db2.gz KEGLLESGTNIKKO-HUUCEWRRSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001235262179 819055870 /nfs/dbraw/zinc/05/58/70/819055870.db2.gz KEGLLESGTNIKKO-HUUCEWRRSA-N 2 2 278.827 3.141 20 0 CGADLP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(Oc4ccccc4)c3)C[C@@H]12 ZINC001235284551 819061200 /nfs/dbraw/zinc/06/12/00/819061200.db2.gz LZHAERSTZPMCCV-JLVBRIDZSA-N 2 2 298.361 3.007 20 0 CGADLP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(F)c(Oc4ccccc4)c3)C[C@@H]12 ZINC001235284551 819061207 /nfs/dbraw/zinc/06/12/07/819061207.db2.gz LZHAERSTZPMCCV-JLVBRIDZSA-N 2 2 298.361 3.007 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001235360933 819077743 /nfs/dbraw/zinc/07/77/43/819077743.db2.gz DFPOKDOIRWIWPU-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001235360933 819077747 /nfs/dbraw/zinc/07/77/47/819077747.db2.gz DFPOKDOIRWIWPU-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400544 819084942 /nfs/dbraw/zinc/08/49/42/819084942.db2.gz KFXCVBCWFSPLHD-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400544 819084948 /nfs/dbraw/zinc/08/49/48/819084948.db2.gz KFXCVBCWFSPLHD-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713621 819148649 /nfs/dbraw/zinc/14/86/49/819148649.db2.gz MQOAMNKJGAMYEK-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713621 819148651 /nfs/dbraw/zinc/14/86/51/819148651.db2.gz MQOAMNKJGAMYEK-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001235829139 819178518 /nfs/dbraw/zinc/17/85/18/819178518.db2.gz NESDPSNKCYHJGN-GDBMZVCRSA-N 2 2 268.404 3.237 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)c2cccc3ccccc32)C1 ZINC001235829139 819178523 /nfs/dbraw/zinc/17/85/23/819178523.db2.gz NESDPSNKCYHJGN-GDBMZVCRSA-N 2 2 268.404 3.237 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2ccsc2c1 ZINC001235907683 819216856 /nfs/dbraw/zinc/21/68/56/819216856.db2.gz SGDXUFJDJPUWRA-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001235907683 819216864 /nfs/dbraw/zinc/21/68/64/819216864.db2.gz SGDXUFJDJPUWRA-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235909134 819217452 /nfs/dbraw/zinc/21/74/52/819217452.db2.gz ZNPMUBJNCAZTJI-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235909134 819217458 /nfs/dbraw/zinc/21/74/58/819217458.db2.gz ZNPMUBJNCAZTJI-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1c(C)c(C[N@@H+](CC[NH3+])C(C)C)ccc1Br ZINC001235947013 819236107 /nfs/dbraw/zinc/23/61/07/819236107.db2.gz GAVIJXOSTUSIPA-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1c(C)c(C[N@H+](CC[NH3+])C(C)C)ccc1Br ZINC001235947013 819236111 /nfs/dbraw/zinc/23/61/11/819236111.db2.gz GAVIJXOSTUSIPA-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC001235947935 819237164 /nfs/dbraw/zinc/23/71/64/819237164.db2.gz IFJOAJYZUIJCQJ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC001235947935 819237167 /nfs/dbraw/zinc/23/71/67/819237167.db2.gz IFJOAJYZUIJCQJ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)o1 ZINC001235988319 819260346 /nfs/dbraw/zinc/26/03/46/819260346.db2.gz GQQNBIYYUKGRSC-WMZOPIPTSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)o1 ZINC001235988319 819260349 /nfs/dbraw/zinc/26/03/49/819260349.db2.gz GQQNBIYYUKGRSC-WMZOPIPTSA-N 2 2 282.387 3.178 20 0 CGADLP CCCc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236009416 819273733 /nfs/dbraw/zinc/27/37/33/819273733.db2.gz YQWRHEOXSZNMDJ-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236009416 819273738 /nfs/dbraw/zinc/27/37/38/819273738.db2.gz YQWRHEOXSZNMDJ-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001236026456 819276582 /nfs/dbraw/zinc/27/65/82/819276582.db2.gz MQAMWRLNVMEPAU-WOJBJXKFSA-N 2 2 292.426 3.005 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001236026456 819276588 /nfs/dbraw/zinc/27/65/88/819276588.db2.gz MQAMWRLNVMEPAU-WOJBJXKFSA-N 2 2 292.426 3.005 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236051983 819288347 /nfs/dbraw/zinc/28/83/47/819288347.db2.gz YWXXSFOPXFXQIA-QMTHXVAHSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236051983 819288352 /nfs/dbraw/zinc/28/83/52/819288352.db2.gz YWXXSFOPXFXQIA-QMTHXVAHSA-N 2 2 286.341 3.183 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052368 819289002 /nfs/dbraw/zinc/28/90/02/819289002.db2.gz QKKLLFXEYQTXFT-TZMCWYRMSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052368 819289009 /nfs/dbraw/zinc/28/90/09/819289009.db2.gz QKKLLFXEYQTXFT-TZMCWYRMSA-N 2 2 272.367 3.148 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2c1 ZINC001236051855 819289465 /nfs/dbraw/zinc/28/94/65/819289465.db2.gz NXCDQKGXSWWUMO-WCQYABFASA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2c1 ZINC001236051855 819289472 /nfs/dbraw/zinc/28/94/72/819289472.db2.gz NXCDQKGXSWWUMO-WCQYABFASA-N 2 2 290.432 3.079 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1C ZINC001236061158 819293870 /nfs/dbraw/zinc/29/38/70/819293870.db2.gz NWPCYBWSNNZWPA-ROUUACIJSA-N 2 2 286.463 3.413 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1C ZINC001236061158 819293877 /nfs/dbraw/zinc/29/38/77/819293877.db2.gz NWPCYBWSNNZWPA-ROUUACIJSA-N 2 2 286.463 3.413 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(Cl)cccc2SC)C1 ZINC001236068190 819298077 /nfs/dbraw/zinc/29/80/77/819298077.db2.gz VOQJYCIQMDMGGJ-LLVKDONJSA-N 2 2 284.856 3.103 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2SC)C1 ZINC001236068190 819298082 /nfs/dbraw/zinc/29/80/82/819298082.db2.gz VOQJYCIQMDMGGJ-LLVKDONJSA-N 2 2 284.856 3.103 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001236071814 819301162 /nfs/dbraw/zinc/30/11/62/819301162.db2.gz JFPWEALHICZFHH-HNAYVOBHSA-N 2 2 280.415 3.003 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001236071814 819301165 /nfs/dbraw/zinc/30/11/65/819301165.db2.gz JFPWEALHICZFHH-HNAYVOBHSA-N 2 2 280.415 3.003 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC001236094412 819312912 /nfs/dbraw/zinc/31/29/12/819312912.db2.gz TWDIGGAIRVKACB-ACJLOTCBSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C[C@@H]1[NH3+] ZINC001236094412 819312917 /nfs/dbraw/zinc/31/29/17/819312917.db2.gz TWDIGGAIRVKACB-ACJLOTCBSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2CC1C[NH2+]C1 ZINC001236104057 819321915 /nfs/dbraw/zinc/32/19/15/819321915.db2.gz GRDNRVFNMBGKKW-UXHICEINSA-N 2 2 290.410 3.082 20 0 CGADLP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2CC1C[NH2+]C1 ZINC001236104057 819321922 /nfs/dbraw/zinc/32/19/22/819321922.db2.gz GRDNRVFNMBGKKW-UXHICEINSA-N 2 2 290.410 3.082 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001236142816 819344547 /nfs/dbraw/zinc/34/45/47/819344547.db2.gz AZEBNQYMODOVFM-UHFFFAOYSA-N 2 2 268.404 3.058 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001236142816 819344551 /nfs/dbraw/zinc/34/45/51/819344551.db2.gz AZEBNQYMODOVFM-UHFFFAOYSA-N 2 2 268.404 3.058 20 0 CGADLP C[NH2+]CCC[N@@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001236156101 819348739 /nfs/dbraw/zinc/34/87/39/819348739.db2.gz WFBZZMLKZLXDBF-DOMZBBRYSA-N 2 2 299.245 3.176 20 0 CGADLP C[NH2+]CCC[N@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001236156101 819348745 /nfs/dbraw/zinc/34/87/45/819348745.db2.gz WFBZZMLKZLXDBF-DOMZBBRYSA-N 2 2 299.245 3.176 20 0 CGADLP CC(C)[N@@H+](CCC(=O)c1ccc2ccccc2c1)C[C@H](C)[NH3+] ZINC001236160066 819349917 /nfs/dbraw/zinc/34/99/17/819349917.db2.gz BTKZWGVDSFTHPQ-HNNXBMFYSA-N 2 2 298.430 3.470 20 0 CGADLP CC(C)[N@H+](CCC(=O)c1ccc2ccccc2c1)C[C@H](C)[NH3+] ZINC001236160066 819349921 /nfs/dbraw/zinc/34/99/21/819349921.db2.gz BTKZWGVDSFTHPQ-HNNXBMFYSA-N 2 2 298.430 3.470 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236199760 819365748 /nfs/dbraw/zinc/36/57/48/819365748.db2.gz FVXYLVNQHYTBJQ-GOSISDBHSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236199760 819365751 /nfs/dbraw/zinc/36/57/51/819365751.db2.gz FVXYLVNQHYTBJQ-GOSISDBHSA-N 2 2 290.451 3.439 20 0 CGADLP Cc1cccc2c(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236204706 819367064 /nfs/dbraw/zinc/36/70/64/819367064.db2.gz AKZSDCDSYVIMMG-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1cccc2c(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236204706 819367071 /nfs/dbraw/zinc/36/70/71/819367071.db2.gz AKZSDCDSYVIMMG-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206350 819368658 /nfs/dbraw/zinc/36/86/58/819368658.db2.gz JXCZJHKSDWPMMT-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206350 819368662 /nfs/dbraw/zinc/36/86/62/819368662.db2.gz JXCZJHKSDWPMMT-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@H+](Cc1coc2ccc(F)cc12)[C@]1(C)CCC[NH2+]C1 ZINC001236209727 819372048 /nfs/dbraw/zinc/37/20/48/819372048.db2.gz ZCZQQTVCGLNFGM-MRXNPFEDSA-N 2 2 276.355 3.146 20 0 CGADLP C[N@@H+](Cc1coc2ccc(F)cc12)[C@]1(C)CCC[NH2+]C1 ZINC001236209727 819372056 /nfs/dbraw/zinc/37/20/56/819372056.db2.gz ZCZQQTVCGLNFGM-MRXNPFEDSA-N 2 2 276.355 3.146 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236211460 819374084 /nfs/dbraw/zinc/37/40/84/819374084.db2.gz IHMCSLFNZIWELD-FUHWJXTLSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236211460 819374087 /nfs/dbraw/zinc/37/40/87/819374087.db2.gz IHMCSLFNZIWELD-FUHWJXTLSA-N 2 2 283.419 3.245 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217300 819383101 /nfs/dbraw/zinc/38/31/01/819383101.db2.gz OZCOEGQFGPBPOO-HZPDHXFCSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217300 819383103 /nfs/dbraw/zinc/38/31/03/819383103.db2.gz OZCOEGQFGPBPOO-HZPDHXFCSA-N 2 2 276.424 3.095 20 0 CGADLP C[N@H+](Cc1ccnc(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218715 819384889 /nfs/dbraw/zinc/38/48/89/819384889.db2.gz SWRBNRGCDBDZTN-GJZGRUSLSA-N 2 2 275.440 3.081 20 0 CGADLP C[N@@H+](Cc1ccnc(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218715 819384892 /nfs/dbraw/zinc/38/48/92/819384892.db2.gz SWRBNRGCDBDZTN-GJZGRUSLSA-N 2 2 275.440 3.081 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001236239108 819398272 /nfs/dbraw/zinc/39/82/72/819398272.db2.gz DKJMUVDTUJXDDM-ZDUSSCGKSA-N 2 2 274.330 3.265 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001236239108 819398280 /nfs/dbraw/zinc/39/82/80/819398280.db2.gz DKJMUVDTUJXDDM-ZDUSSCGKSA-N 2 2 274.330 3.265 20 0 CGADLP c1cc2cccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001236239447 819399683 /nfs/dbraw/zinc/39/96/83/819399683.db2.gz HCFUCBWKPXSNIJ-MRXNPFEDSA-N 2 2 270.376 3.149 20 0 CGADLP c1cc2cccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2o1 ZINC001236239447 819399687 /nfs/dbraw/zinc/39/96/87/819399687.db2.gz HCFUCBWKPXSNIJ-MRXNPFEDSA-N 2 2 270.376 3.149 20 0 CGADLP Oc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001236242085 819400763 /nfs/dbraw/zinc/40/07/63/819400763.db2.gz WNHIJLFMCZWKMV-INIZCTEOSA-N 2 2 296.414 3.262 20 0 CGADLP Oc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001236242085 819400766 /nfs/dbraw/zinc/40/07/66/819400766.db2.gz WNHIJLFMCZWKMV-INIZCTEOSA-N 2 2 296.414 3.262 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246322 819402216 /nfs/dbraw/zinc/40/22/16/819402216.db2.gz WIWOSXUVKAOCDE-OAHLLOKOSA-N 2 2 293.414 3.255 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246322 819402221 /nfs/dbraw/zinc/40/22/21/819402221.db2.gz WIWOSXUVKAOCDE-OAHLLOKOSA-N 2 2 293.414 3.255 20 0 CGADLP COCC[N@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236327737 819426910 /nfs/dbraw/zinc/42/69/10/819426910.db2.gz LHNYSKUXTREUGI-SFHVURJKSA-N 2 2 298.430 3.040 20 0 CGADLP COCC[N@@H+](Cc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236327737 819426914 /nfs/dbraw/zinc/42/69/14/819426914.db2.gz LHNYSKUXTREUGI-SFHVURJKSA-N 2 2 298.430 3.040 20 0 CGADLP CC[C@H](C)C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236391939 819447516 /nfs/dbraw/zinc/44/75/16/819447516.db2.gz IQJZHRNWAHMJJQ-YOEHRIQHSA-N 2 2 278.415 3.426 20 0 CGADLP CC[C@H](C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236391939 819447519 /nfs/dbraw/zinc/44/75/19/819447519.db2.gz IQJZHRNWAHMJJQ-YOEHRIQHSA-N 2 2 278.415 3.426 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419947 819465778 /nfs/dbraw/zinc/46/57/78/819465778.db2.gz MYPXGIJBBYVGGK-DYVFJYSZSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419947 819465781 /nfs/dbraw/zinc/46/57/81/819465781.db2.gz MYPXGIJBBYVGGK-DYVFJYSZSA-N 2 2 258.409 3.266 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)ccc1OC(C)C ZINC001236421551 819468450 /nfs/dbraw/zinc/46/84/50/819468450.db2.gz UNILIHIUYAYMOE-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)ccc1OC(C)C ZINC001236421551 819468454 /nfs/dbraw/zinc/46/84/54/819468454.db2.gz UNILIHIUYAYMOE-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236432750 819476941 /nfs/dbraw/zinc/47/69/41/819476941.db2.gz BRMQEWOLRDBDDN-IBGZPJMESA-N 2 2 296.389 3.131 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236432750 819476945 /nfs/dbraw/zinc/47/69/45/819476945.db2.gz BRMQEWOLRDBDDN-IBGZPJMESA-N 2 2 296.389 3.131 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001236469688 819491617 /nfs/dbraw/zinc/49/16/17/819491617.db2.gz VFYBWCQPSDPGHP-QGZVFWFLSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001236469688 819491621 /nfs/dbraw/zinc/49/16/21/819491621.db2.gz VFYBWCQPSDPGHP-QGZVFWFLSA-N 2 2 285.435 3.439 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511556 819509403 /nfs/dbraw/zinc/50/94/03/819509403.db2.gz QQNJUVYZGGWLRW-OLZOCXBDSA-N 2 2 294.389 3.175 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511556 819509408 /nfs/dbraw/zinc/50/94/08/819509408.db2.gz QQNJUVYZGGWLRW-OLZOCXBDSA-N 2 2 294.389 3.175 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc(C)c1F ZINC001236527113 819518177 /nfs/dbraw/zinc/51/81/77/819518177.db2.gz GZPPQZYHZCKMTR-HNNXBMFYSA-N 2 2 264.388 3.015 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc(C)c1F ZINC001236527113 819518181 /nfs/dbraw/zinc/51/81/81/819518181.db2.gz GZPPQZYHZCKMTR-HNNXBMFYSA-N 2 2 264.388 3.015 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530892 819522949 /nfs/dbraw/zinc/52/29/49/819522949.db2.gz VIWFZAWGVJEPOI-OAHLLOKOSA-N 2 2 264.388 3.015 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236530892 819522952 /nfs/dbraw/zinc/52/29/52/819522952.db2.gz VIWFZAWGVJEPOI-OAHLLOKOSA-N 2 2 264.388 3.015 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236531362 819523656 /nfs/dbraw/zinc/52/36/56/819523656.db2.gz XSYVQOGIUMKXDK-KRWDZBQOSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236531362 819523663 /nfs/dbraw/zinc/52/36/63/819523663.db2.gz XSYVQOGIUMKXDK-KRWDZBQOSA-N 2 2 290.451 3.294 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC001236830350 819612212 /nfs/dbraw/zinc/61/22/12/819612212.db2.gz NHPWOFSHJDOREP-UHTWSYAYSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC001236830350 819612217 /nfs/dbraw/zinc/61/22/17/819612217.db2.gz NHPWOFSHJDOREP-UHTWSYAYSA-N 2 2 299.245 3.471 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)ccc1C(F)(F)F ZINC001236868411 819627501 /nfs/dbraw/zinc/62/75/01/819627501.db2.gz BWNYMJHZLRLOJH-LBPRGKRZSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)ccc1C(F)(F)F ZINC001236868411 819627504 /nfs/dbraw/zinc/62/75/04/819627504.db2.gz BWNYMJHZLRLOJH-LBPRGKRZSA-N 2 2 274.330 3.183 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236894797 819633705 /nfs/dbraw/zinc/63/37/05/819633705.db2.gz DKWBMQSUYWWTCA-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236894797 819633707 /nfs/dbraw/zinc/63/37/07/819633707.db2.gz DKWBMQSUYWWTCA-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236908230 819637152 /nfs/dbraw/zinc/63/71/52/819637152.db2.gz QVBXJYBTLLFCBW-GFCCVEGCSA-N 2 2 275.783 3.368 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236908230 819637155 /nfs/dbraw/zinc/63/71/55/819637155.db2.gz QVBXJYBTLLFCBW-GFCCVEGCSA-N 2 2 275.783 3.368 20 0 CGADLP Cc1cc(F)cc(C)c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001237332229 819730716 /nfs/dbraw/zinc/73/07/16/819730716.db2.gz FVHQHJKSYSNLOX-UHFFFAOYSA-N 2 2 276.399 3.113 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237389015 819741922 /nfs/dbraw/zinc/74/19/22/819741922.db2.gz FIYIQDRYWUISTO-VXGBXAGGSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237389015 819741925 /nfs/dbraw/zinc/74/19/25/819741925.db2.gz FIYIQDRYWUISTO-VXGBXAGGSA-N 2 2 284.856 3.284 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C1CC1 ZINC001237417093 819748683 /nfs/dbraw/zinc/74/86/83/819748683.db2.gz SQHNDQQLVFQYGE-QAPCUYQASA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C1CC1 ZINC001237417093 819748688 /nfs/dbraw/zinc/74/86/88/819748688.db2.gz SQHNDQQLVFQYGE-QAPCUYQASA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)[N@H+](Cc1cnc(C2CC2)s1)C1CC[NH+](C)CC1 ZINC001237791226 819842396 /nfs/dbraw/zinc/84/23/96/819842396.db2.gz BUYBSYAANFVPCT-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)[N@@H+](Cc1cnc(C2CC2)s1)C1CC[NH+](C)CC1 ZINC001237791226 819842400 /nfs/dbraw/zinc/84/24/00/819842400.db2.gz BUYBSYAANFVPCT-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517302 820035078 /nfs/dbraw/zinc/03/50/78/820035078.db2.gz STJRHYTYQBXOPO-SFHVURJKSA-N 2 2 288.410 3.231 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517302 820035089 /nfs/dbraw/zinc/03/50/89/820035089.db2.gz STJRHYTYQBXOPO-SFHVURJKSA-N 2 2 288.410 3.231 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517302 820035096 /nfs/dbraw/zinc/03/50/96/820035096.db2.gz STJRHYTYQBXOPO-SFHVURJKSA-N 2 2 288.410 3.231 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517302 820035104 /nfs/dbraw/zinc/03/51/04/820035104.db2.gz STJRHYTYQBXOPO-SFHVURJKSA-N 2 2 288.410 3.231 20 0 CGADLP Cc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239488957 820340553 /nfs/dbraw/zinc/34/05/53/820340553.db2.gz HPOIDFPSRIIRBW-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239488957 820340564 /nfs/dbraw/zinc/34/05/64/820340564.db2.gz HPOIDFPSRIIRBW-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP CCc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239589798 820439566 /nfs/dbraw/zinc/43/95/66/820439566.db2.gz UUAWNZKDRRXSMS-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239589798 820439570 /nfs/dbraw/zinc/43/95/70/820439570.db2.gz UUAWNZKDRRXSMS-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)cc2)C1 ZINC001239707064 820535318 /nfs/dbraw/zinc/53/53/18/820535318.db2.gz DQMKUCCADLHASX-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)cc2)C1 ZINC001239707064 820535325 /nfs/dbraw/zinc/53/53/25/820535325.db2.gz DQMKUCCADLHASX-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP c1cn2cc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)ccc2[nH+]1 ZINC001240218957 820891869 /nfs/dbraw/zinc/89/18/69/820891869.db2.gz REOGEWGFOMOPLT-MRXNPFEDSA-N 2 2 277.371 3.468 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C2CC2)CC1 ZINC001341392522 936436833 /nfs/dbraw/zinc/43/68/33/936436833.db2.gz JHDNISWLDJVYND-CYBMUJFWSA-N 2 2 260.381 3.032 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001343237270 936491964 /nfs/dbraw/zinc/49/19/64/936491964.db2.gz BIFDZCIQVRZPHZ-WBVHZDCISA-N 2 2 287.451 3.347 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001345470044 936811911 /nfs/dbraw/zinc/81/19/11/936811911.db2.gz NVOATGDGEGGYFQ-CHWSQXEVSA-N 2 2 270.779 3.229 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC001348515073 936924572 /nfs/dbraw/zinc/92/45/72/936924572.db2.gz JQZUIRIKDLYNHN-CYBMUJFWSA-N 2 2 295.858 3.028 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)c2)c1 ZINC000335267478 926955902 /nfs/dbraw/zinc/95/59/02/926955902.db2.gz IBVDCADKWJBNEG-IBGZPJMESA-N 2 2 293.414 3.077 20 0 CGADLP c1cncc(-c2cccc(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)c2)c1 ZINC000335267478 926955911 /nfs/dbraw/zinc/95/59/11/926955911.db2.gz IBVDCADKWJBNEG-IBGZPJMESA-N 2 2 293.414 3.077 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CC1CCCCC1 ZINC001461518500 928755869 /nfs/dbraw/zinc/75/58/69/928755869.db2.gz BBBWZQMQQKWIOM-AEFFLSMTSA-N 2 2 296.499 3.029 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)CC1CCCCC1 ZINC001461518500 928755879 /nfs/dbraw/zinc/75/58/79/928755879.db2.gz BBBWZQMQQKWIOM-AEFFLSMTSA-N 2 2 296.499 3.029 20 0 CGADLP Cc1[nH+]ccn1CCNc1ccc2c(C)cc[nH+]c2c1 ZINC001163923363 931993815 /nfs/dbraw/zinc/99/38/15/931993815.db2.gz HIPGLFDWGBTOPG-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](Oc2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001231084132 932676025 /nfs/dbraw/zinc/67/60/25/932676025.db2.gz XMWMKTDBLFJUMC-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](Oc2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001231084132 932676028 /nfs/dbraw/zinc/67/60/28/932676028.db2.gz XMWMKTDBLFJUMC-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462384180 937636703 /nfs/dbraw/zinc/63/67/03/937636703.db2.gz CMMYHLJUILWPSX-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462384180 937636704 /nfs/dbraw/zinc/63/67/04/937636704.db2.gz CMMYHLJUILWPSX-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)C1CC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001462430158 937640891 /nfs/dbraw/zinc/64/08/91/937640891.db2.gz SCXCTCNWWNZGEG-FHERZECASA-N 2 2 252.446 3.131 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC001462457007 937643108 /nfs/dbraw/zinc/64/31/08/937643108.db2.gz DGDYEYJJUSMCQA-GDBMZVCRSA-N 2 2 286.419 3.438 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC001462457007 937643109 /nfs/dbraw/zinc/64/31/09/937643109.db2.gz DGDYEYJJUSMCQA-GDBMZVCRSA-N 2 2 286.419 3.438 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001308053213 933040825 /nfs/dbraw/zinc/04/08/25/933040825.db2.gz QYVKPSUEOOZPDZ-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001308053213 933040828 /nfs/dbraw/zinc/04/08/28/933040828.db2.gz QYVKPSUEOOZPDZ-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001308053213 933040832 /nfs/dbraw/zinc/04/08/32/933040832.db2.gz QYVKPSUEOOZPDZ-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001308053213 933040835 /nfs/dbraw/zinc/04/08/35/933040835.db2.gz QYVKPSUEOOZPDZ-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CCc1cccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001308167953 933062892 /nfs/dbraw/zinc/06/28/92/933062892.db2.gz ZSSOTKXCOWEUHM-UHFFFAOYSA-N 2 2 283.419 3.362 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001308264424 933084416 /nfs/dbraw/zinc/08/44/16/933084416.db2.gz MFTHDNUCRDAEJE-IBGZPJMESA-N 2 2 286.463 3.398 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001308264424 933084418 /nfs/dbraw/zinc/08/44/18/933084418.db2.gz MFTHDNUCRDAEJE-IBGZPJMESA-N 2 2 286.463 3.398 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001308264221 933085046 /nfs/dbraw/zinc/08/50/46/933085046.db2.gz IWSPSOSXLSGOMN-KLHDSHLOSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001308264221 933085048 /nfs/dbraw/zinc/08/50/48/933085048.db2.gz IWSPSOSXLSGOMN-KLHDSHLOSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC001308449829 933112848 /nfs/dbraw/zinc/11/28/48/933112848.db2.gz BPKPGHPTDHOZBX-ROUUACIJSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC001308449829 933112851 /nfs/dbraw/zinc/11/28/51/933112851.db2.gz BPKPGHPTDHOZBX-ROUUACIJSA-N 2 2 272.436 3.410 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001308463558 933115126 /nfs/dbraw/zinc/11/51/26/933115126.db2.gz FOORZBJENAEGPF-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP CCNc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001308559049 933132752 /nfs/dbraw/zinc/13/27/52/933132752.db2.gz AOLJRXVXRPYNMA-OAHLLOKOSA-N 2 2 284.407 3.221 20 0 CGADLP CCNc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001308559049 933132755 /nfs/dbraw/zinc/13/27/55/933132755.db2.gz AOLJRXVXRPYNMA-OAHLLOKOSA-N 2 2 284.407 3.221 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC001308777849 933175198 /nfs/dbraw/zinc/17/51/98/933175198.db2.gz FUHBSRMTWVLPIJ-JKSUJKDBSA-N 2 2 264.457 3.419 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001308864818 933192864 /nfs/dbraw/zinc/19/28/64/933192864.db2.gz LYERYUDNRGAHHU-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001308904789 933200724 /nfs/dbraw/zinc/20/07/24/933200724.db2.gz UQNBPVITLCODMQ-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904789 933200731 /nfs/dbraw/zinc/20/07/31/933200731.db2.gz UQNBPVITLCODMQ-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001308904789 933200736 /nfs/dbraw/zinc/20/07/36/933200736.db2.gz UQNBPVITLCODMQ-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001308904789 933200741 /nfs/dbraw/zinc/20/07/41/933200741.db2.gz UQNBPVITLCODMQ-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c[nH+]c2ccccc2c1N(C)CCCn1cc[nH+]c1 ZINC001319322131 933856647 /nfs/dbraw/zinc/85/66/47/933856647.db2.gz MLRUPPCFNQHENY-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319948731 933964808 /nfs/dbraw/zinc/96/48/08/933964808.db2.gz RGXKOUASMXCHQE-HNNXBMFYSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319948731 933964820 /nfs/dbraw/zinc/96/48/20/933964820.db2.gz RGXKOUASMXCHQE-HNNXBMFYSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1ccoc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320510241 934056578 /nfs/dbraw/zinc/05/65/78/934056578.db2.gz UBLGVBVIVFHXQB-OAHLLOKOSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1ccoc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320510241 934056581 /nfs/dbraw/zinc/05/65/81/934056581.db2.gz UBLGVBVIVFHXQB-OAHLLOKOSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC001322523212 934310291 /nfs/dbraw/zinc/31/02/91/934310291.db2.gz QFGQMMREFOHIDG-JSGCOSHPSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH+]c2ccccc12 ZINC001324208044 934470307 /nfs/dbraw/zinc/47/03/07/934470307.db2.gz VDALVQMTGKTSKA-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH+]c2ccccc12 ZINC001324208044 934470313 /nfs/dbraw/zinc/47/03/13/934470313.db2.gz VDALVQMTGKTSKA-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(C)C ZINC001473562842 937811594 /nfs/dbraw/zinc/81/15/94/937811594.db2.gz UKBDQAUATKMWMS-FZKCQIBNSA-N 2 2 266.473 3.379 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(C)C ZINC001473562842 937811596 /nfs/dbraw/zinc/81/15/96/937811596.db2.gz UKBDQAUATKMWMS-FZKCQIBNSA-N 2 2 266.473 3.379 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001473689525 937817476 /nfs/dbraw/zinc/81/74/76/937817476.db2.gz IPELIFWAZCRLSB-IAGOWNOFSA-N 2 2 292.854 3.422 20 0 CGADLP CC(C)=CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001329877410 935250713 /nfs/dbraw/zinc/25/07/13/935250713.db2.gz RRCSNOWMTFSOQY-HNNXBMFYSA-N 2 2 261.413 3.031 20 0 CGADLP CC(C)=CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001329877410 935250717 /nfs/dbraw/zinc/25/07/17/935250717.db2.gz RRCSNOWMTFSOQY-HNNXBMFYSA-N 2 2 261.413 3.031 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908498 935420166 /nfs/dbraw/zinc/42/01/66/935420166.db2.gz VYKZJSLDQFUKPT-RHSMWYFYSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908498 935420170 /nfs/dbraw/zinc/42/01/70/935420170.db2.gz VYKZJSLDQFUKPT-RHSMWYFYSA-N 2 2 281.403 3.074 20 0 CGADLP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001335551352 936152812 /nfs/dbraw/zinc/15/28/12/936152812.db2.gz YHIICKZWULGYSS-ZDUSSCGKSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001335551352 936152814 /nfs/dbraw/zinc/15/28/14/936152814.db2.gz YHIICKZWULGYSS-ZDUSSCGKSA-N 2 2 278.362 3.326 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001473769802 937821354 /nfs/dbraw/zinc/82/13/54/937821354.db2.gz QGUZWKTWIJWUIW-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001473769802 937821356 /nfs/dbraw/zinc/82/13/56/937821356.db2.gz QGUZWKTWIJWUIW-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001473769802 937821358 /nfs/dbraw/zinc/82/13/58/937821358.db2.gz QGUZWKTWIJWUIW-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001473769802 937821360 /nfs/dbraw/zinc/82/13/60/937821360.db2.gz QGUZWKTWIJWUIW-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842107 937824383 /nfs/dbraw/zinc/82/43/83/937824383.db2.gz JXLSOKBFHZDNBL-IOASZLSFSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842107 937824385 /nfs/dbraw/zinc/82/43/85/937824385.db2.gz JXLSOKBFHZDNBL-IOASZLSFSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842107 937824387 /nfs/dbraw/zinc/82/43/87/937824387.db2.gz JXLSOKBFHZDNBL-IOASZLSFSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842107 937824390 /nfs/dbraw/zinc/82/43/90/937824390.db2.gz JXLSOKBFHZDNBL-IOASZLSFSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)CC(C)(C)C1 ZINC001474033859 937836687 /nfs/dbraw/zinc/83/66/87/937836687.db2.gz CYEFODJIXFONHJ-DZKIICNBSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]Cc1cccc2ccccc21 ZINC001474031098 937836944 /nfs/dbraw/zinc/83/69/44/937836944.db2.gz SOUDNRGZTXIQSO-HNNXBMFYSA-N 2 2 268.404 3.414 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]Cc1cccc2ccccc21 ZINC001474031098 937836945 /nfs/dbraw/zinc/83/69/45/937836945.db2.gz SOUDNRGZTXIQSO-HNNXBMFYSA-N 2 2 268.404 3.414 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001474296870 937849039 /nfs/dbraw/zinc/84/90/39/937849039.db2.gz JTKBYCHWLSCRJI-CQSZACIVSA-N 2 2 282.378 3.284 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCC(F)F)C[N@H+]1Cc1ccccc1 ZINC001474296870 937849040 /nfs/dbraw/zinc/84/90/40/937849040.db2.gz JTKBYCHWLSCRJI-CQSZACIVSA-N 2 2 282.378 3.284 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323699 937851409 /nfs/dbraw/zinc/85/14/09/937851409.db2.gz SDIOKTWVKYKEIN-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323699 937851411 /nfs/dbraw/zinc/85/14/11/937851411.db2.gz SDIOKTWVKYKEIN-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(C)n1 ZINC001474323699 937851413 /nfs/dbraw/zinc/85/14/13/937851413.db2.gz SDIOKTWVKYKEIN-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)n1 ZINC001474323699 937851415 /nfs/dbraw/zinc/85/14/15/937851415.db2.gz SDIOKTWVKYKEIN-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651054 937873437 /nfs/dbraw/zinc/87/34/37/937873437.db2.gz CETCLEZHKQAKBA-HOCLYGCPSA-N 2 2 292.492 3.413 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651054 937873438 /nfs/dbraw/zinc/87/34/38/937873438.db2.gz CETCLEZHKQAKBA-HOCLYGCPSA-N 2 2 292.492 3.413 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474744662 937878345 /nfs/dbraw/zinc/87/83/45/937878345.db2.gz KAUZJMZEJDMDIP-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474744662 937878346 /nfs/dbraw/zinc/87/83/46/937878346.db2.gz KAUZJMZEJDMDIP-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474745566 937878551 /nfs/dbraw/zinc/87/85/51/937878551.db2.gz SCJHZKPPCPYGAY-GJZGRUSLSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474745566 937878553 /nfs/dbraw/zinc/87/85/53/937878553.db2.gz SCJHZKPPCPYGAY-GJZGRUSLSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001548926838 938154095 /nfs/dbraw/zinc/15/40/95/938154095.db2.gz XJRKAMDSCGQXTE-QBIMZIAESA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001548926838 938154096 /nfs/dbraw/zinc/15/40/96/938154096.db2.gz XJRKAMDSCGQXTE-QBIMZIAESA-N 2 2 284.378 3.313 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551401153 938181420 /nfs/dbraw/zinc/18/14/20/938181420.db2.gz HKEQVBFGMUNHAS-HOTGVXAUSA-N 2 2 272.417 3.025 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001552313355 938190982 /nfs/dbraw/zinc/19/09/82/938190982.db2.gz GBLDQADLUQPDQT-JJXSEGSLSA-N 2 2 268.420 3.121 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001552313355 938190983 /nfs/dbraw/zinc/19/09/83/938190983.db2.gz GBLDQADLUQPDQT-JJXSEGSLSA-N 2 2 268.420 3.121 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc([C@H]4C[C@H]4[NH3+])cc3)n2c1 ZINC001553857973 938200933 /nfs/dbraw/zinc/20/09/33/938200933.db2.gz RZUQNZSGAZGZPQ-IAGOWNOFSA-N 2 2 292.386 3.069 20 0 CGADLP CCCN(CC[NH+](CC)CC)c1cc(CC)[nH+]c(CC)n1 ZINC001559161944 938221487 /nfs/dbraw/zinc/22/14/87/938221487.db2.gz RESWVUVOQGQBTH-UHFFFAOYSA-N 2 2 292.471 3.160 20 0 CGADLP CCC(CC)C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001560350682 938254439 /nfs/dbraw/zinc/25/44/39/938254439.db2.gz CESLWWOPYBOFQT-UHFFFAOYSA-N 2 2 274.452 3.111 20 0 CGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001560538511 938262316 /nfs/dbraw/zinc/26/23/16/938262316.db2.gz SCDGURQSQNWBOZ-MRXNPFEDSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001560538511 938262317 /nfs/dbraw/zinc/26/23/17/938262317.db2.gz SCDGURQSQNWBOZ-MRXNPFEDSA-N 2 2 294.483 3.332 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001560624361 938266395 /nfs/dbraw/zinc/26/63/95/938266395.db2.gz LJXDAAVOTBAGNO-CQSZACIVSA-N 2 2 266.404 3.344 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001560860931 938280146 /nfs/dbraw/zinc/28/01/46/938280146.db2.gz ZWJHXBBSLPCUIL-IAGOWNOFSA-N 2 2 272.436 3.180 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001560860931 938280148 /nfs/dbraw/zinc/28/01/48/938280148.db2.gz ZWJHXBBSLPCUIL-IAGOWNOFSA-N 2 2 272.436 3.180 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C2 ZINC001560960977 938286250 /nfs/dbraw/zinc/28/62/50/938286250.db2.gz HPGODAQDFNIXNQ-OXQOHEQNSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC001560960977 938286252 /nfs/dbraw/zinc/28/62/52/938286252.db2.gz HPGODAQDFNIXNQ-OXQOHEQNSA-N 2 2 298.474 3.398 20 0 CGADLP COc1cccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC001561051743 938291783 /nfs/dbraw/zinc/29/17/83/938291783.db2.gz HHHIZJCTLOTKOM-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP COc1cccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC001561051743 938291784 /nfs/dbraw/zinc/29/17/84/938291784.db2.gz HHHIZJCTLOTKOM-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC001575543752 962389267 /nfs/dbraw/zinc/38/92/67/962389267.db2.gz CIJIUCJRSYMVKF-GFCCVEGCSA-N 2 2 290.329 3.048 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C[NH2+]1 ZINC001576670999 962484162 /nfs/dbraw/zinc/48/41/62/962484162.db2.gz NQFZFWIXNZTKII-CHWSQXEVSA-N 2 2 294.389 3.117 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001577397177 962538597 /nfs/dbraw/zinc/53/85/97/962538597.db2.gz OBVPSOVHHCCREC-LLVKDONJSA-N 2 2 290.329 3.034 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001577590877 962552573 /nfs/dbraw/zinc/55/25/73/962552573.db2.gz UHRBURPWRQCWFF-RTBURBONSA-N 2 2 296.414 3.190 20 0 CGADLP CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)CC(C)(C)C[NH3+] ZINC001577742552 962566258 /nfs/dbraw/zinc/56/62/58/962566258.db2.gz BJWJUAGXTMJVQK-LBPRGKRZSA-N 2 2 295.496 3.075 20 0 CGADLP CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)CC(C)(C)C[NH3+] ZINC001577742552 962566273 /nfs/dbraw/zinc/56/62/73/962566273.db2.gz BJWJUAGXTMJVQK-LBPRGKRZSA-N 2 2 295.496 3.075 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc3occc3c2)C1 ZINC001580183786 962695111 /nfs/dbraw/zinc/69/51/11/962695111.db2.gz QCEADFFZRCKBDB-HNNXBMFYSA-N 2 2 258.365 3.136 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001580183786 962695130 /nfs/dbraw/zinc/69/51/30/962695130.db2.gz QCEADFFZRCKBDB-HNNXBMFYSA-N 2 2 258.365 3.136 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377735 349512836 /nfs/dbraw/zinc/51/28/36/349512836.db2.gz FHTZCOSSBLQHCB-BMFZPTHFSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377735 349512837 /nfs/dbraw/zinc/51/28/37/349512837.db2.gz FHTZCOSSBLQHCB-BMFZPTHFSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CC2(F)F)n1-c1ccccc1 ZINC000621378016 349512848 /nfs/dbraw/zinc/51/28/48/349512848.db2.gz LKZWKZDUKCJQOP-ZDUSSCGKSA-N 2 2 291.345 3.316 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000348434945 282105727 /nfs/dbraw/zinc/10/57/27/282105727.db2.gz WMUGTSQRPGMQCL-DZGCQCFKSA-N 2 2 266.816 3.127 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000337510127 214129155 /nfs/dbraw/zinc/12/91/55/214129155.db2.gz IIUFBXMIHFXFHP-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000337559357 214155695 /nfs/dbraw/zinc/15/56/95/214155695.db2.gz UEPLAKVIHGRXJK-DYEKYZERSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000337559357 214155700 /nfs/dbraw/zinc/15/57/00/214155700.db2.gz UEPLAKVIHGRXJK-DYEKYZERSA-N 2 2 264.438 3.009 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651707959 398272828 /nfs/dbraw/zinc/27/28/28/398272828.db2.gz AUAPZSFBJKMEJP-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651707959 398272830 /nfs/dbraw/zinc/27/28/30/398272830.db2.gz AUAPZSFBJKMEJP-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP CCC1(CC)CCC([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000651753186 398282584 /nfs/dbraw/zinc/28/25/84/398282584.db2.gz HZNMIPJVUCRQMM-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689657 529551686 /nfs/dbraw/zinc/55/16/86/529551686.db2.gz GDYLEOFUNQTCIL-JKSUJKDBSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689657 529551687 /nfs/dbraw/zinc/55/16/87/529551687.db2.gz GDYLEOFUNQTCIL-JKSUJKDBSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515116 529552672 /nfs/dbraw/zinc/55/26/72/529552672.db2.gz OWJABGPTQNTQDZ-KGLIPLIRSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@@H](F)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515116 529552675 /nfs/dbraw/zinc/55/26/75/529552675.db2.gz OWJABGPTQNTQDZ-KGLIPLIRSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423481049 529568015 /nfs/dbraw/zinc/56/80/15/529568015.db2.gz WLCWHRNLNSPLSR-MRXNPFEDSA-N 2 2 290.357 3.381 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC1(F)F ZINC000623015271 349751678 /nfs/dbraw/zinc/75/16/78/349751678.db2.gz TWCUEVGBXLPLCG-OSRDXIQISA-N 2 2 282.378 3.311 20 0 CGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623088442 349757487 /nfs/dbraw/zinc/75/74/87/349757487.db2.gz MIPYWWYVFRVNCS-UHFFFAOYSA-N 2 2 282.378 3.062 20 0 CGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(C)c1 ZINC000623088307 349757792 /nfs/dbraw/zinc/75/77/92/349757792.db2.gz FZLAJVLETMHFAE-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@@H]1C ZINC000414077883 529630548 /nfs/dbraw/zinc/63/05/48/529630548.db2.gz ZQDWQBWOVPOXHD-WBAXXEDZSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423508933 529617114 /nfs/dbraw/zinc/61/71/14/529617114.db2.gz RGCJUTLYWPHVPC-SJKOYZFVSA-N 2 2 287.382 3.134 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000623431164 349807710 /nfs/dbraw/zinc/80/77/10/349807710.db2.gz WVIMEBXYLLVGJY-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000623431164 349807713 /nfs/dbraw/zinc/80/77/13/349807713.db2.gz WVIMEBXYLLVGJY-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503134 349822127 /nfs/dbraw/zinc/82/21/27/349822127.db2.gz NDKQLSVYDGABBB-SWLSCSKDSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503134 349822131 /nfs/dbraw/zinc/82/21/31/349822131.db2.gz NDKQLSVYDGABBB-SWLSCSKDSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1cccc(NCCCc2[nH+]c3ccccc3n2C)[nH+]1 ZINC000128029453 187346506 /nfs/dbraw/zinc/34/65/06/187346506.db2.gz LPVTUMGMCCLGAU-UHFFFAOYSA-N 2 2 280.375 3.321 20 0 CGADLP COCc1csc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000623729007 349872038 /nfs/dbraw/zinc/87/20/38/349872038.db2.gz JYHFJMXSTJAJOG-HNNXBMFYSA-N 2 2 294.464 3.001 20 0 CGADLP COCc1csc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000623729007 349872040 /nfs/dbraw/zinc/87/20/40/349872040.db2.gz JYHFJMXSTJAJOG-HNNXBMFYSA-N 2 2 294.464 3.001 20 0 CGADLP C/C=C\C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000623739617 349874769 /nfs/dbraw/zinc/87/47/69/349874769.db2.gz ALKJDOIUHWJOLA-IHWYPQMZSA-N 2 2 278.827 3.470 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000623852839 349896591 /nfs/dbraw/zinc/89/65/91/349896591.db2.gz CGVVXCVAABXBTO-UONOGXRCSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000623852839 349896592 /nfs/dbraw/zinc/89/65/92/349896592.db2.gz CGVVXCVAABXBTO-UONOGXRCSA-N 2 2 281.469 3.367 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000423228221 529978446 /nfs/dbraw/zinc/97/84/46/529978446.db2.gz YVEUNYIACZQUCJ-AWEZNQCLSA-N 2 2 254.805 3.236 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1cccnc1)[C@@H](C[NH3+])C1CC1 ZINC000359913893 530003887 /nfs/dbraw/zinc/00/38/87/530003887.db2.gz SOVFTULIQGSEJE-KRWDZBQOSA-N 2 2 297.402 3.043 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H](C[NH3+])C1CC1 ZINC000359913893 530003888 /nfs/dbraw/zinc/00/38/88/530003888.db2.gz SOVFTULIQGSEJE-KRWDZBQOSA-N 2 2 297.402 3.043 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000623922601 349916618 /nfs/dbraw/zinc/91/66/18/349916618.db2.gz DZQSZPYEEVLIKX-GJZGRUSLSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000623922601 349916619 /nfs/dbraw/zinc/91/66/19/349916619.db2.gz DZQSZPYEEVLIKX-GJZGRUSLSA-N 2 2 295.496 3.470 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127288240 187295250 /nfs/dbraw/zinc/29/52/50/187295250.db2.gz DTALFNHQTLEUTB-OAHLLOKOSA-N 2 2 288.435 3.052 20 0 CGADLP Clc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353282 345009540 /nfs/dbraw/zinc/00/95/40/345009540.db2.gz KLHSCAUJIORKDE-UHFFFAOYSA-N 2 2 263.772 3.107 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188355 345243983 /nfs/dbraw/zinc/24/39/83/345243983.db2.gz GLGQDIDZXJBEMW-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188355 345243985 /nfs/dbraw/zinc/24/39/85/345243985.db2.gz GLGQDIDZXJBEMW-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000273246015 192086937 /nfs/dbraw/zinc/08/69/37/192086937.db2.gz VFNKKPMMYDHJAJ-OAHLLOKOSA-N 2 2 268.404 3.401 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+](C)C)c1cc(C)sc1C ZINC000623983966 349935724 /nfs/dbraw/zinc/93/57/24/349935724.db2.gz SHYGUWNQIOJRBW-AWEZNQCLSA-N 2 2 254.443 3.357 20 0 CGADLP Cc1cccn2cc(CNc3cc[nH+]cc3Cl)[nH+]c12 ZINC000091628414 345819355 /nfs/dbraw/zinc/81/93/55/345819355.db2.gz ZFTGFDPMIRYCGN-UHFFFAOYSA-N 2 2 272.739 3.303 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000090047492 345778870 /nfs/dbraw/zinc/77/88/70/345778870.db2.gz RINFUOWAFHNPPG-UONOGXRCSA-N 2 2 296.842 3.101 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073021 345830365 /nfs/dbraw/zinc/83/03/65/345830365.db2.gz VWYDNUPHIGCZNO-BQTXGFLSSA-N 2 2 285.366 3.442 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073021 345830366 /nfs/dbraw/zinc/83/03/66/345830366.db2.gz VWYDNUPHIGCZNO-BQTXGFLSSA-N 2 2 285.366 3.442 20 0 CGADLP Fc1cccc2c1CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000162086058 232252494 /nfs/dbraw/zinc/25/24/94/232252494.db2.gz HRBORAVVPJWTGN-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP Fc1cccc2c1CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000162086058 232252496 /nfs/dbraw/zinc/25/24/96/232252496.db2.gz HRBORAVVPJWTGN-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000131604738 346066529 /nfs/dbraw/zinc/06/65/29/346066529.db2.gz VGXVCAGNTAWGHJ-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000131604738 346066530 /nfs/dbraw/zinc/06/65/30/346066530.db2.gz VGXVCAGNTAWGHJ-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000177849243 232377385 /nfs/dbraw/zinc/37/73/85/232377385.db2.gz QNWOAMWQTLXFDD-IAGOWNOFSA-N 2 2 284.488 3.292 20 0 CGADLP CCc1ccc([C@H](C[NH2+]Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000236981899 346343534 /nfs/dbraw/zinc/34/35/34/346343534.db2.gz BYRVPAAZVVJDHC-IBGZPJMESA-N 2 2 298.430 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000251053183 346387487 /nfs/dbraw/zinc/38/74/87/346387487.db2.gz UMLQJTDUQCSRAV-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000251053183 346387489 /nfs/dbraw/zinc/38/74/89/346387489.db2.gz UMLQJTDUQCSRAV-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000309925200 346470628 /nfs/dbraw/zinc/47/06/28/346470628.db2.gz XEJTZHUOGYDXIO-QGZVFWFLSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000309925200 346470633 /nfs/dbraw/zinc/47/06/33/346470633.db2.gz XEJTZHUOGYDXIO-QGZVFWFLSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000309925198 346470675 /nfs/dbraw/zinc/47/06/75/346470675.db2.gz XEJTZHUOGYDXIO-KRWDZBQOSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000309925198 346470681 /nfs/dbraw/zinc/47/06/81/346470681.db2.gz XEJTZHUOGYDXIO-KRWDZBQOSA-N 2 2 296.418 3.109 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000390560141 346574524 /nfs/dbraw/zinc/57/45/24/346574524.db2.gz JVGJRPNIIITSHC-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390560141 346574526 /nfs/dbraw/zinc/57/45/26/346574526.db2.gz JVGJRPNIIITSHC-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000395178999 346578081 /nfs/dbraw/zinc/57/80/81/346578081.db2.gz OVMNBNGMCURHTP-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000395178999 346578082 /nfs/dbraw/zinc/57/80/82/346578082.db2.gz OVMNBNGMCURHTP-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP CCn1cccc1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406010103 346603943 /nfs/dbraw/zinc/60/39/43/346603943.db2.gz ROVFUUUMMZADIR-IBGZPJMESA-N 2 2 297.446 3.262 20 0 CGADLP CCn1cccc1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406010103 346603946 /nfs/dbraw/zinc/60/39/46/346603946.db2.gz ROVFUUUMMZADIR-IBGZPJMESA-N 2 2 297.446 3.262 20 0 CGADLP CC(C)C(C[NH2+]C[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000584581411 346684914 /nfs/dbraw/zinc/68/49/14/346684914.db2.gz RXFPMMQLDUJLBH-AWEZNQCLSA-N 2 2 251.418 3.037 20 0 CGADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000459331055 535053929 /nfs/dbraw/zinc/05/39/29/535053929.db2.gz UTUIMNDNLNKNLJ-UHFFFAOYSA-N 2 2 289.398 3.260 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594746366 347215536 /nfs/dbraw/zinc/21/55/36/347215536.db2.gz CVYVEVOWVSOEQE-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594746366 347215538 /nfs/dbraw/zinc/21/55/38/347215538.db2.gz CVYVEVOWVSOEQE-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)s1 ZINC000594746569 347216008 /nfs/dbraw/zinc/21/60/08/347216008.db2.gz OETNHYPQRSEQSD-HNNXBMFYSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)s1 ZINC000594746569 347216012 /nfs/dbraw/zinc/21/60/12/347216012.db2.gz OETNHYPQRSEQSD-HNNXBMFYSA-N 2 2 266.454 3.327 20 0 CGADLP C[C@@H](CSCCF)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000595018126 347258785 /nfs/dbraw/zinc/25/87/85/347258785.db2.gz QIFRZWVGOQXECZ-ZDUSSCGKSA-N 2 2 293.411 3.053 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245541 282535107 /nfs/dbraw/zinc/53/51/07/282535107.db2.gz YOTKYGZFPWZQED-MFKMUULPSA-N 2 2 282.840 3.219 20 0 CGADLP CSC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000602726487 348018687 /nfs/dbraw/zinc/01/86/87/348018687.db2.gz SJVZZFFXZQYYFV-UHFFFAOYSA-N 2 2 264.438 3.150 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770665 348132758 /nfs/dbraw/zinc/13/27/58/348132758.db2.gz ARHYJJPQLYCENM-MRXNPFEDSA-N 2 2 288.439 3.019 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436417 215170398 /nfs/dbraw/zinc/17/03/98/215170398.db2.gz BOCFREYLBQNKMP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436417 215170400 /nfs/dbraw/zinc/17/04/00/215170400.db2.gz BOCFREYLBQNKMP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436417 215170403 /nfs/dbraw/zinc/17/04/03/215170403.db2.gz BOCFREYLBQNKMP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436417 215170405 /nfs/dbraw/zinc/17/04/05/215170405.db2.gz BOCFREYLBQNKMP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ccoc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608069569 348282224 /nfs/dbraw/zinc/28/22/24/348282224.db2.gz CHZBWUFGLYHHCI-MRXNPFEDSA-N 2 2 295.386 3.395 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379019 192131681 /nfs/dbraw/zinc/13/16/81/192131681.db2.gz MPPQJFYZOCWRNX-HOCLYGCPSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379019 192131683 /nfs/dbraw/zinc/13/16/83/192131683.db2.gz MPPQJFYZOCWRNX-HOCLYGCPSA-N 2 2 299.418 3.477 20 0 CGADLP Fc1cc(F)c(C[NH2+]Cc2cccc3[nH+]ccn32)c(F)c1 ZINC000339524754 215228859 /nfs/dbraw/zinc/22/88/59/215228859.db2.gz XXNPEXMMUVYZSE-UHFFFAOYSA-N 2 2 291.276 3.041 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771028 349284257 /nfs/dbraw/zinc/28/42/57/349284257.db2.gz IOLLHUAYCUCGBE-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771028 349284260 /nfs/dbraw/zinc/28/42/60/349284260.db2.gz IOLLHUAYCUCGBE-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP COCCCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359024853 233243209 /nfs/dbraw/zinc/24/32/09/233243209.db2.gz BIMHNHURYTXBBD-BPQIPLTHSA-N 2 2 290.451 3.084 20 0 CGADLP COCCCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359024853 233243213 /nfs/dbraw/zinc/24/32/13/233243213.db2.gz BIMHNHURYTXBBD-BPQIPLTHSA-N 2 2 290.451 3.084 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000620757817 349422376 /nfs/dbraw/zinc/42/23/76/349422376.db2.gz LLRASRWJNUPKNK-OAHLLOKOSA-N 2 2 271.408 3.262 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000359118558 233265160 /nfs/dbraw/zinc/26/51/60/233265160.db2.gz NMVUDULOVCYJCZ-LLVKDONJSA-N 2 2 283.297 3.160 20 0 CGADLP Oc1ccc(Cl)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000625261069 350148597 /nfs/dbraw/zinc/14/85/97/350148597.db2.gz PQMSIOLPXOMRRN-UHFFFAOYSA-N 2 2 291.782 3.148 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212224 350141278 /nfs/dbraw/zinc/14/12/78/350141278.db2.gz VEEVHRSBNYDQQA-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212224 350141280 /nfs/dbraw/zinc/14/12/80/350141280.db2.gz VEEVHRSBNYDQQA-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625212224 350141282 /nfs/dbraw/zinc/14/12/82/350141282.db2.gz VEEVHRSBNYDQQA-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625212224 350141283 /nfs/dbraw/zinc/14/12/83/350141283.db2.gz VEEVHRSBNYDQQA-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000352185823 219350980 /nfs/dbraw/zinc/35/09/80/219350980.db2.gz GOKNOLQSGPDDIK-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000352185823 219350984 /nfs/dbraw/zinc/35/09/84/219350984.db2.gz GOKNOLQSGPDDIK-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000628460171 350543929 /nfs/dbraw/zinc/54/39/29/350543929.db2.gz KMPWZIQXPWJLQM-BJWYYQGGSA-N 2 2 258.409 3.348 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CCCO2 ZINC000629537738 350705941 /nfs/dbraw/zinc/70/59/41/350705941.db2.gz KRHGDKJUBLXOOD-YQQAZPJKSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCC2 ZINC000629539392 350706629 /nfs/dbraw/zinc/70/66/29/350706629.db2.gz OVHHDEHWDWHNBP-WZRBSPASSA-N 2 2 264.438 3.028 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCC2 ZINC000629539388 350706739 /nfs/dbraw/zinc/70/67/39/350706739.db2.gz OVHHDEHWDWHNBP-NQBHXWOUSA-N 2 2 264.438 3.028 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000629540641 350707385 /nfs/dbraw/zinc/70/73/85/350707385.db2.gz RPTVCQJSTGEJCF-NTZNESFSSA-N 2 2 282.428 3.339 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(Cl)cc32)C[NH2+]1 ZINC000629541367 350707388 /nfs/dbraw/zinc/70/73/88/350707388.db2.gz UOIOLRGYFWESID-ZLDLUXBVSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000629545178 350709280 /nfs/dbraw/zinc/70/92/80/350709280.db2.gz AOCGJPPDABMDID-IPELMVKDSA-N 2 2 280.415 3.310 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000629545085 350709531 /nfs/dbraw/zinc/70/95/31/350709531.db2.gz BBUAYFPDHZKTOF-RLCCDNCMSA-N 2 2 278.827 3.448 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCCO2 ZINC000629546711 350709929 /nfs/dbraw/zinc/70/99/29/350709929.db2.gz XDVNOXDIWDNDGO-XKQJLSEDSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000629549450 350710985 /nfs/dbraw/zinc/71/09/85/350710985.db2.gz VVARWFANOXKQQD-GAIPPQHRSA-N 2 2 268.451 3.014 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[NH2+]1 ZINC000629396522 350688558 /nfs/dbraw/zinc/68/85/58/350688558.db2.gz MGQCKSCDTIJZHU-NOZJJQNGSA-N 2 2 290.304 3.075 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397298 350688626 /nfs/dbraw/zinc/68/86/26/350688626.db2.gz ZARPLLBAEAYHQD-HIFRSBDPSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000629407417 350689589 /nfs/dbraw/zinc/68/95/89/350689589.db2.gz ZFZSTRNYEVPNEB-HNAYVOBHSA-N 2 2 296.414 3.106 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C[NH2+]1 ZINC000629412038 350690080 /nfs/dbraw/zinc/69/00/80/350690080.db2.gz JZAIMMFHVTXLDI-ABAIWWIYSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C[NH2+]1 ZINC000629412042 350690703 /nfs/dbraw/zinc/69/07/03/350690703.db2.gz JZAIMMFHVTXLDI-NHYWBVRUSA-N 2 2 289.810 3.118 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000629509455 350698631 /nfs/dbraw/zinc/69/86/31/350698631.db2.gz MRBLIHJYOSPQMQ-KSSFIOAISA-N 2 2 289.467 3.469 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000629509455 350698636 /nfs/dbraw/zinc/69/86/36/350698636.db2.gz MRBLIHJYOSPQMQ-KSSFIOAISA-N 2 2 289.467 3.469 20 0 CGADLP C[NH2+]CCc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629709939 350748508 /nfs/dbraw/zinc/74/85/08/350748508.db2.gz NJXAOTFTHYIHOU-UHFFFAOYSA-N 2 2 281.403 3.111 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(C[NH+]2CCCCC2)c1 ZINC000630051552 350800824 /nfs/dbraw/zinc/80/08/24/350800824.db2.gz DNPBBBIWARRTOC-UHFFFAOYSA-N 2 2 255.365 3.073 20 0 CGADLP Cc1cc2c(c(-c3ccc(N4CCCC4)[nH+]c3)c1)C[NH2+]CC2 ZINC000630051205 350801059 /nfs/dbraw/zinc/80/10/59/350801059.db2.gz NQEOZKVXPBQUGW-UHFFFAOYSA-N 2 2 293.414 3.303 20 0 CGADLP Cn1cc[nH+]c1-c1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000630053398 350803066 /nfs/dbraw/zinc/80/30/66/350803066.db2.gz UQNNMQGFEQZXPU-LLVKDONJSA-N 2 2 269.270 3.039 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631040125 350933711 /nfs/dbraw/zinc/93/37/11/350933711.db2.gz GSCBJDAQMDEDDD-LLVKDONJSA-N 2 2 289.766 3.461 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccn1 ZINC000631631503 351096653 /nfs/dbraw/zinc/09/66/53/351096653.db2.gz WWROGZDWQAHSSJ-HIFRSBDPSA-N 2 2 284.407 3.101 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccn1 ZINC000631631503 351096658 /nfs/dbraw/zinc/09/66/58/351096658.db2.gz WWROGZDWQAHSSJ-HIFRSBDPSA-N 2 2 284.407 3.101 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000366831676 282762182 /nfs/dbraw/zinc/76/21/82/282762182.db2.gz NFDKSODPMUWBDF-LBPRGKRZSA-N 2 2 296.349 3.101 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000122154219 187018171 /nfs/dbraw/zinc/01/81/71/187018171.db2.gz RIPRFYQGWZEZTH-AEFFLSMTSA-N 2 2 289.467 3.318 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000122154219 187018172 /nfs/dbraw/zinc/01/81/72/187018172.db2.gz RIPRFYQGWZEZTH-AEFFLSMTSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000271470701 191157668 /nfs/dbraw/zinc/15/76/68/191157668.db2.gz HITYNTAPSZENAH-KSSFIOAISA-N 2 2 287.451 3.385 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]CCC1CCCCCC1)C2 ZINC000365611065 234117565 /nfs/dbraw/zinc/11/75/65/234117565.db2.gz GXSPTUVSJLXOJK-AWEZNQCLSA-N 2 2 261.413 3.217 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]CCC1CCCCCC1)CC2 ZINC000365611065 234117569 /nfs/dbraw/zinc/11/75/69/234117569.db2.gz GXSPTUVSJLXOJK-AWEZNQCLSA-N 2 2 261.413 3.217 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)oc1C ZINC000367436293 234214969 /nfs/dbraw/zinc/21/49/69/234214969.db2.gz FIFQQROTWCZOPO-GFCCVEGCSA-N 2 2 273.380 3.280 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237823 198212646 /nfs/dbraw/zinc/21/26/46/198212646.db2.gz WKJNKMVSVHHANF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237823 198212647 /nfs/dbraw/zinc/21/26/47/198212647.db2.gz WKJNKMVSVHHANF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237823 198212649 /nfs/dbraw/zinc/21/26/49/198212649.db2.gz WKJNKMVSVHHANF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237823 198212650 /nfs/dbraw/zinc/21/26/50/198212650.db2.gz WKJNKMVSVHHANF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP Clc1cccc2c1OC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000368580547 234323092 /nfs/dbraw/zinc/32/30/92/234323092.db2.gz AZBIQJCCHTVAJE-AWEZNQCLSA-N 2 2 299.761 3.211 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000368579054 234323676 /nfs/dbraw/zinc/32/36/76/234323676.db2.gz SFWVBHJPQWZHNL-ZACQAIPSSA-N 2 2 288.435 3.116 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000156130567 188244585 /nfs/dbraw/zinc/24/45/85/188244585.db2.gz AXYHAVHBMNMKGH-OSAQELSMSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000156130567 188244586 /nfs/dbraw/zinc/24/45/86/188244586.db2.gz AXYHAVHBMNMKGH-OSAQELSMSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000369540521 234383837 /nfs/dbraw/zinc/38/38/37/234383837.db2.gz JLKDPXZJULTXCC-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481962869 282909289 /nfs/dbraw/zinc/90/92/89/282909289.db2.gz QNSXARWAXQFJDF-ROUUACIJSA-N 2 2 292.467 3.393 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127149 235342663 /nfs/dbraw/zinc/34/26/63/235342663.db2.gz PRPQSSZCQRJGQO-XJKSGUPXSA-N 2 2 269.392 3.109 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000414832787 235476972 /nfs/dbraw/zinc/47/69/72/235476972.db2.gz OWNZSTQHWNDRPK-GVDBMIGSSA-N 2 2 258.409 3.245 20 0 CGADLP C[C@@H]([NH2+]CCc1cscn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108942156 138361354 /nfs/dbraw/zinc/36/13/54/138361354.db2.gz KYBCUKYWNBPHBI-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@@H](CNc1cc[nH+]c(C2CC2)n1)[N@H+](C)Cc1ccccc1 ZINC000110594757 138363317 /nfs/dbraw/zinc/36/33/17/138363317.db2.gz YVOBWWPORDUCCL-AWEZNQCLSA-N 2 2 296.418 3.286 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000336313809 213157570 /nfs/dbraw/zinc/15/75/70/213157570.db2.gz RQAIIFWUTRCHTR-CYBMUJFWSA-N 2 2 296.201 3.295 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000128417075 138392971 /nfs/dbraw/zinc/39/29/71/138392971.db2.gz QTCJHLKHICJLEP-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000128417075 138392973 /nfs/dbraw/zinc/39/29/73/138392973.db2.gz QTCJHLKHICJLEP-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423231246 236003061 /nfs/dbraw/zinc/00/30/61/236003061.db2.gz ANZRKUPGYZHQCK-QZTJIDSGSA-N 2 2 284.378 3.493 20 0 CGADLP [NH3+][C@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000423232935 236004830 /nfs/dbraw/zinc/00/48/30/236004830.db2.gz CUEITPFBERJQMR-JXQTWKCFSA-N 2 2 268.351 3.100 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000423253599 236009891 /nfs/dbraw/zinc/00/98/91/236009891.db2.gz ZCDSDALBAJBXNQ-ZWKOTPCHSA-N 2 2 266.388 3.354 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000423253237 236009893 /nfs/dbraw/zinc/00/98/93/236009893.db2.gz YUOUVBGIAXTFFS-ROUUACIJSA-N 2 2 266.388 3.427 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423283369 236022053 /nfs/dbraw/zinc/02/20/53/236022053.db2.gz VVKKLLJACQPBCE-RCOVLWMOSA-N 2 2 279.236 3.443 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423269082 236014767 /nfs/dbraw/zinc/01/47/67/236014767.db2.gz GZYRXCLBZZENDU-GXTWGEPZSA-N 2 2 260.381 3.375 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423273039 236017664 /nfs/dbraw/zinc/01/76/64/236017664.db2.gz KFEYEWJJNBFMBF-DGCLKSJQSA-N 2 2 286.366 3.230 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)oc2c1 ZINC000423358716 236049484 /nfs/dbraw/zinc/04/94/84/236049484.db2.gz JUVJVPWLLURRKE-KCQAQPDRSA-N 2 2 272.392 3.390 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)CCS2 ZINC000423369097 236053405 /nfs/dbraw/zinc/05/34/05/236053405.db2.gz SIAYCWPYTANIOF-XZJROXQQSA-N 2 2 290.476 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCOC1 ZINC000423409369 236066970 /nfs/dbraw/zinc/06/69/70/236066970.db2.gz YUXVIYZMYRVOPT-KYNGSXCRSA-N 2 2 298.430 3.244 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423526933 236093892 /nfs/dbraw/zinc/09/38/92/236093892.db2.gz LWXIVUMVWQAPKF-ZYSHUDEJSA-N 2 2 280.415 3.401 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(C)CC2)n1-c1ccccc1 ZINC000227762269 138502263 /nfs/dbraw/zinc/50/22/63/138502263.db2.gz UUBKZSBTFHJTJT-UHFFFAOYSA-N 2 2 255.365 3.070 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423563257 236099106 /nfs/dbraw/zinc/09/91/06/236099106.db2.gz RHFINRDOBDWPGM-GXTWGEPZSA-N 2 2 264.438 3.201 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000424154369 236125369 /nfs/dbraw/zinc/12/53/69/236125369.db2.gz LQGWPLXWPMNLLM-AWEZNQCLSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000424154369 236125371 /nfs/dbraw/zinc/12/53/71/236125371.db2.gz LQGWPLXWPMNLLM-AWEZNQCLSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)n2c1 ZINC000424177037 236128484 /nfs/dbraw/zinc/12/84/84/236128484.db2.gz TVARAFXTMQASIP-HOCLYGCPSA-N 2 2 269.392 3.169 20 0 CGADLP c1c2cccnc2oc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336227424 213057627 /nfs/dbraw/zinc/05/76/27/213057627.db2.gz FHINQUUKYZSQGV-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP Cn1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000119316074 370665359 /nfs/dbraw/zinc/66/53/59/370665359.db2.gz AULHIQBGIUMHSU-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP Cn1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000119316074 370665363 /nfs/dbraw/zinc/66/53/63/370665363.db2.gz AULHIQBGIUMHSU-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCC1 ZINC000437079530 237245089 /nfs/dbraw/zinc/24/50/89/237245089.db2.gz SYPKSUOPYCAEEQ-QGZVFWFLSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CCc1cccc(Cl)c1 ZINC000297686919 200261234 /nfs/dbraw/zinc/26/12/34/200261234.db2.gz PPBVXIYIGZOLMV-UHFFFAOYSA-N 2 2 274.795 3.418 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000341798747 216111146 /nfs/dbraw/zinc/11/11/46/216111146.db2.gz JRHNDKZUODXLPS-OAHLLOKOSA-N 2 2 271.408 3.227 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839044 200289822 /nfs/dbraw/zinc/28/98/22/200289822.db2.gz NWDRZRCPRAGLLZ-GUYCJALGSA-N 2 2 299.418 3.344 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839044 200289824 /nfs/dbraw/zinc/28/98/24/200289824.db2.gz NWDRZRCPRAGLLZ-GUYCJALGSA-N 2 2 299.418 3.344 20 0 CGADLP CC1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177294575 189042218 /nfs/dbraw/zinc/04/22/18/189042218.db2.gz WMGGATZEECWZDZ-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP CC1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177294575 189042219 /nfs/dbraw/zinc/04/22/19/189042219.db2.gz WMGGATZEECWZDZ-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000177388114 189046981 /nfs/dbraw/zinc/04/69/81/189046981.db2.gz SVWHIJSPEKCDEY-OLZOCXBDSA-N 2 2 255.365 3.321 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178264023 189101289 /nfs/dbraw/zinc/10/12/89/189101289.db2.gz PKVHNDUUSNXYEI-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178264023 189101290 /nfs/dbraw/zinc/10/12/90/189101290.db2.gz PKVHNDUUSNXYEI-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000178500040 189121845 /nfs/dbraw/zinc/12/18/45/189121845.db2.gz KSWRDAPAIIPCIM-FUHWJXTLSA-N 2 2 290.451 3.228 20 0 CGADLP COc1ccc2oc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc2c1 ZINC000179297479 189184339 /nfs/dbraw/zinc/18/43/39/189184339.db2.gz LOGBCQKGRMKBDC-CYBMUJFWSA-N 2 2 299.374 3.064 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179314370 189185652 /nfs/dbraw/zinc/18/56/52/189185652.db2.gz YVHHLPVGFXENMN-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179314370 189185653 /nfs/dbraw/zinc/18/56/53/189185653.db2.gz YVHHLPVGFXENMN-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000179833166 189223163 /nfs/dbraw/zinc/22/31/63/189223163.db2.gz HVKVXUQPRFXAPZ-UHFFFAOYSA-N 2 2 298.434 3.039 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000180013154 189232172 /nfs/dbraw/zinc/23/21/72/189232172.db2.gz SECTUISIUFDVJU-INIZCTEOSA-N 2 2 271.408 3.229 20 0 CGADLP C[N@H+](CCc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000180476598 189257595 /nfs/dbraw/zinc/25/75/95/189257595.db2.gz KMZIFMBKLYUQDE-UHFFFAOYSA-N 2 2 271.389 3.070 20 0 CGADLP C[N@@H+](CCc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000180476598 189257596 /nfs/dbraw/zinc/25/75/96/189257596.db2.gz KMZIFMBKLYUQDE-UHFFFAOYSA-N 2 2 271.389 3.070 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccc(F)cc21 ZINC000181082309 189287899 /nfs/dbraw/zinc/28/78/99/189287899.db2.gz FXQCFTDLZVVSSM-QGZVFWFLSA-N 2 2 287.382 3.422 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccc(F)cc21 ZINC000181082309 189287900 /nfs/dbraw/zinc/28/79/00/189287900.db2.gz FXQCFTDLZVVSSM-QGZVFWFLSA-N 2 2 287.382 3.422 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181207284 189291517 /nfs/dbraw/zinc/29/15/17/189291517.db2.gz KAROPIRAVDJIGV-ZDUSSCGKSA-N 2 2 284.363 3.107 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181207284 189291518 /nfs/dbraw/zinc/29/15/18/189291518.db2.gz KAROPIRAVDJIGV-ZDUSSCGKSA-N 2 2 284.363 3.107 20 0 CGADLP c1cn(CCC[NH2+][C@H](c2ccccc2)C2CCC2)c[nH+]1 ZINC000182892092 189338578 /nfs/dbraw/zinc/33/85/78/189338578.db2.gz PGCZOODDKGVOKM-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP CCC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301656600 201118562 /nfs/dbraw/zinc/11/85/62/201118562.db2.gz RZVWRANNPPBJFV-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP CC1(c2ccccc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183061736 189344984 /nfs/dbraw/zinc/34/49/84/189344984.db2.gz MNAUOJTWGLDZRR-UHFFFAOYSA-N 2 2 283.419 3.327 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000183755212 189367827 /nfs/dbraw/zinc/36/78/27/189367827.db2.gz JKBRLTTVVZLWGV-UHFFFAOYSA-N 2 2 276.399 3.277 20 0 CGADLP CCc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076872 201333492 /nfs/dbraw/zinc/33/34/92/201333492.db2.gz HKIGJUOGFJOGMB-WMZOPIPTSA-N 2 2 296.418 3.205 20 0 CGADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076872 201333496 /nfs/dbraw/zinc/33/34/96/201333496.db2.gz HKIGJUOGFJOGMB-WMZOPIPTSA-N 2 2 296.418 3.205 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@H+](C)Cc1ccccc1 ZINC000449150967 239205537 /nfs/dbraw/zinc/20/55/37/239205537.db2.gz UYNWAODHMYLLIG-JKSUJKDBSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@@H+](C)Cc1ccccc1 ZINC000449150967 239205542 /nfs/dbraw/zinc/20/55/42/239205542.db2.gz UYNWAODHMYLLIG-JKSUJKDBSA-N 2 2 286.419 3.321 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000120001796 370729868 /nfs/dbraw/zinc/72/98/68/370729868.db2.gz FWGNWKVWTHCQEZ-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000120001796 370729875 /nfs/dbraw/zinc/72/98/75/370729875.db2.gz FWGNWKVWTHCQEZ-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP Cc1cccc(OCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120206285 370747056 /nfs/dbraw/zinc/74/70/56/370747056.db2.gz RHHSFYPMAWHNPJ-SJLPKXTDSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120206285 370747058 /nfs/dbraw/zinc/74/70/58/370747058.db2.gz RHHSFYPMAWHNPJ-SJLPKXTDSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1cccc(OCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120206147 370747693 /nfs/dbraw/zinc/74/76/93/370747693.db2.gz RHHSFYPMAWHNPJ-FUHWJXTLSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000120206147 370747700 /nfs/dbraw/zinc/74/77/00/370747700.db2.gz RHHSFYPMAWHNPJ-FUHWJXTLSA-N 2 2 299.418 3.153 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000335635692 212350401 /nfs/dbraw/zinc/35/04/01/212350401.db2.gz ULCYVHCNMWWCBE-SECBINFHSA-N 2 2 273.207 3.396 20 0 CGADLP Cc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c(C)[nH+]1 ZINC000451002740 240188520 /nfs/dbraw/zinc/18/85/20/240188520.db2.gz SAFYHCWKYCQNOX-NEPJUHHUSA-N 2 2 269.392 3.314 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC3CCCCC3)CC2)nc1 ZINC000120682671 370791511 /nfs/dbraw/zinc/79/15/11/370791511.db2.gz CQJWDSGVLIUWPD-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275741776 193117959 /nfs/dbraw/zinc/11/79/59/193117959.db2.gz RIWZKRUOOKRGTP-BPQIPLTHSA-N 2 2 283.419 3.273 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459434712 242106996 /nfs/dbraw/zinc/10/69/96/242106996.db2.gz NXCNTNKGSWSPFJ-DOTOQJQBSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459434712 242107003 /nfs/dbraw/zinc/10/70/03/242107003.db2.gz NXCNTNKGSWSPFJ-DOTOQJQBSA-N 2 2 283.419 3.231 20 0 CGADLP Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1C[NH+](C)C ZINC000459738869 242201661 /nfs/dbraw/zinc/20/16/61/242201661.db2.gz JTAMCCSWKKSCMH-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000462677755 242358161 /nfs/dbraw/zinc/35/81/61/242358161.db2.gz FSAMAXRTJSYJAV-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462677755 242358167 /nfs/dbraw/zinc/35/81/67/242358167.db2.gz FSAMAXRTJSYJAV-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cc1ccccc1F ZINC000275916518 193161956 /nfs/dbraw/zinc/16/19/56/193161956.db2.gz VGRAAMHGCPPLIA-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631443 243158101 /nfs/dbraw/zinc/15/81/01/243158101.db2.gz QSRCJPHZLRSZSU-RLFYNMQTSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631443 243158108 /nfs/dbraw/zinc/15/81/08/243158108.db2.gz QSRCJPHZLRSZSU-RLFYNMQTSA-N 2 2 290.451 3.465 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000483521824 243290223 /nfs/dbraw/zinc/29/02/23/243290223.db2.gz XQYMFBVEUOMVBV-UHFFFAOYSA-N 2 2 295.430 3.145 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000484470548 243313654 /nfs/dbraw/zinc/31/36/54/243313654.db2.gz GLTICRNKKWFQQB-RDJZCZTQSA-N 2 2 292.492 3.391 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000486965196 243388889 /nfs/dbraw/zinc/38/88/89/243388889.db2.gz JKCTVQCFGOWZOP-YOEHRIQHSA-N 2 2 287.451 3.070 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000020091940 368800850 /nfs/dbraw/zinc/80/08/50/368800850.db2.gz OSPASXZRFSDPBC-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000020091940 368800855 /nfs/dbraw/zinc/80/08/55/368800855.db2.gz OSPASXZRFSDPBC-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000019960242 368790577 /nfs/dbraw/zinc/79/05/77/368790577.db2.gz ILJPXGRWYZARSA-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000019960242 368790582 /nfs/dbraw/zinc/79/05/82/368790582.db2.gz ILJPXGRWYZARSA-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000020083659 368798333 /nfs/dbraw/zinc/79/83/33/368798333.db2.gz AXOXIZGNEDWEEG-AWEZNQCLSA-N 2 2 254.805 3.332 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842684 369033385 /nfs/dbraw/zinc/03/33/85/369033385.db2.gz QHQTXFJHNXOSGA-NRXISQOPSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842684 369033393 /nfs/dbraw/zinc/03/33/93/369033393.db2.gz QHQTXFJHNXOSGA-NRXISQOPSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1NC1CC[NH+](C)CC1 ZINC000036955677 369043056 /nfs/dbraw/zinc/04/30/56/369043056.db2.gz RCWQHHLDLZBFOJ-UHFFFAOYSA-N 2 2 273.424 3.101 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000035010754 368988181 /nfs/dbraw/zinc/98/81/81/368988181.db2.gz CBYPEONPCGYINI-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000037117287 369062769 /nfs/dbraw/zinc/06/27/69/369062769.db2.gz QPMBOHKMYRQKAK-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000037117287 369062771 /nfs/dbraw/zinc/06/27/71/369062771.db2.gz QPMBOHKMYRQKAK-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000037157049 369072767 /nfs/dbraw/zinc/07/27/67/369072767.db2.gz GMFTXHKFXDYMIS-VXGBXAGGSA-N 2 2 295.333 3.224 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256256 369079681 /nfs/dbraw/zinc/07/96/81/369079681.db2.gz ALZQENWNJHQOPS-LLVKDONJSA-N 2 2 295.496 3.494 20 0 CGADLP Clc1ccccc1C1CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000041119500 369173892 /nfs/dbraw/zinc/17/38/92/369173892.db2.gz FDZFGOQTWASBSI-UHFFFAOYSA-N 2 2 275.783 3.072 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000041119677 369176001 /nfs/dbraw/zinc/17/60/01/369176001.db2.gz HJKWUULPMZHMHQ-ZDUSSCGKSA-N 2 2 293.823 3.363 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000042314821 369211832 /nfs/dbraw/zinc/21/18/32/369211832.db2.gz ZMXQJMCHWDRTRZ-QGZVFWFLSA-N 2 2 276.424 3.222 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000043326547 369249265 /nfs/dbraw/zinc/24/92/65/369249265.db2.gz JGISSADZACGENQ-DGCLKSJQSA-N 2 2 282.840 3.219 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000044685510 369266900 /nfs/dbraw/zinc/26/69/00/369266900.db2.gz IGMDDZZGCCBGML-DGCLKSJQSA-N 2 2 264.438 3.252 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000044685510 369266902 /nfs/dbraw/zinc/26/69/02/369266902.db2.gz IGMDDZZGCCBGML-DGCLKSJQSA-N 2 2 264.438 3.252 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685364 369266909 /nfs/dbraw/zinc/26/69/09/369266909.db2.gz ITYHDQAAOOUHNJ-WCQYABFASA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685364 369266911 /nfs/dbraw/zinc/26/69/11/369266911.db2.gz ITYHDQAAOOUHNJ-WCQYABFASA-N 2 2 296.361 3.175 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000045116826 369276578 /nfs/dbraw/zinc/27/65/78/369276578.db2.gz VGNRPUWFURZDQJ-HOTGVXAUSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000045116826 369276585 /nfs/dbraw/zinc/27/65/85/369276585.db2.gz VGNRPUWFURZDQJ-HOTGVXAUSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@H+](C)[C@@H]3C)cc2s1 ZINC000494845227 244323795 /nfs/dbraw/zinc/32/37/95/244323795.db2.gz GHYKAQOJHIZFJF-BXUZGUMPSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@@H]3C)cc2s1 ZINC000494845227 244323800 /nfs/dbraw/zinc/32/38/00/244323800.db2.gz GHYKAQOJHIZFJF-BXUZGUMPSA-N 2 2 289.448 3.177 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000494931990 244334099 /nfs/dbraw/zinc/33/40/99/244334099.db2.gz RPDCNMXAFNKKDU-LALPHHSUSA-N 2 2 273.355 3.146 20 0 CGADLP CCc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000276126611 193220488 /nfs/dbraw/zinc/22/04/88/193220488.db2.gz ACLZTYNUABFYQC-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000053201726 369480569 /nfs/dbraw/zinc/48/05/69/369480569.db2.gz KFIDERKSGAXZPY-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000053201726 369480574 /nfs/dbraw/zinc/48/05/74/369480574.db2.gz KFIDERKSGAXZPY-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000054935666 369507518 /nfs/dbraw/zinc/50/75/18/369507518.db2.gz DFUDZEMJVIHDBM-INIZCTEOSA-N 2 2 284.407 3.280 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000062254647 369622955 /nfs/dbraw/zinc/62/29/55/369622955.db2.gz LIXLMKHJNRWXRL-LBPRGKRZSA-N 2 2 297.324 3.328 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000070074616 369779390 /nfs/dbraw/zinc/77/93/90/369779390.db2.gz FGVHFQCVPBMIEU-WCQYABFASA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070074616 369779395 /nfs/dbraw/zinc/77/93/95/369779395.db2.gz FGVHFQCVPBMIEU-WCQYABFASA-N 2 2 297.240 3.008 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667994 370063488 /nfs/dbraw/zinc/06/34/88/370063488.db2.gz YBQDVQKSMRPCEF-CABCVRRESA-N 2 2 275.440 3.241 20 0 CGADLP Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c(C)[nH+]1 ZINC000094666078 370168431 /nfs/dbraw/zinc/16/84/31/370168431.db2.gz BUTGLAZQRUWMBJ-HNNXBMFYSA-N 2 2 283.375 3.117 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093645149 370154091 /nfs/dbraw/zinc/15/40/91/370154091.db2.gz NGLMPMKJZWEQLF-SJORKVTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093645149 370154094 /nfs/dbraw/zinc/15/40/94/370154094.db2.gz NGLMPMKJZWEQLF-SJORKVTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093645149 370154098 /nfs/dbraw/zinc/15/40/98/370154098.db2.gz NGLMPMKJZWEQLF-SJORKVTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093645149 370154102 /nfs/dbraw/zinc/15/41/02/370154102.db2.gz NGLMPMKJZWEQLF-SJORKVTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000112548595 370432975 /nfs/dbraw/zinc/43/29/75/370432975.db2.gz MQINVLNHSUJQLC-UHFFFAOYSA-N 2 2 266.816 3.302 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000113512308 370476171 /nfs/dbraw/zinc/47/61/71/370476171.db2.gz VRRXWGNWTRGPGJ-CYBMUJFWSA-N 2 2 286.341 3.089 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000113512308 370476174 /nfs/dbraw/zinc/47/61/74/370476174.db2.gz VRRXWGNWTRGPGJ-CYBMUJFWSA-N 2 2 286.341 3.089 20 0 CGADLP Cc1cccc(NC[C@H](c2ccco2)[NH+]2CCCC2)[nH+]1 ZINC000114183531 370492508 /nfs/dbraw/zinc/49/25/08/370492508.db2.gz KOJYOHSGXAOQCB-CQSZACIVSA-N 2 2 271.364 3.232 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200332 371017050 /nfs/dbraw/zinc/01/70/50/371017050.db2.gz CDJVXZPVANQRIP-YNEHKIRRSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200332 371017054 /nfs/dbraw/zinc/01/70/54/371017054.db2.gz CDJVXZPVANQRIP-YNEHKIRRSA-N 2 2 280.362 3.242 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131724952 371126149 /nfs/dbraw/zinc/12/61/49/371126149.db2.gz UQLNYZXCQVBVGJ-KDOFPFPSSA-N 2 2 298.386 3.305 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131724952 371126151 /nfs/dbraw/zinc/12/61/51/371126151.db2.gz UQLNYZXCQVBVGJ-KDOFPFPSSA-N 2 2 298.386 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000135200293 371400330 /nfs/dbraw/zinc/40/03/30/371400330.db2.gz YTTOICSBZITFTH-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000135200293 371400331 /nfs/dbraw/zinc/40/03/31/371400331.db2.gz YTTOICSBZITFTH-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831641 371540939 /nfs/dbraw/zinc/54/09/39/371540939.db2.gz JUHYADZFHKNQGF-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831641 371540944 /nfs/dbraw/zinc/54/09/44/371540944.db2.gz JUHYADZFHKNQGF-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000151112272 371570227 /nfs/dbraw/zinc/57/02/27/371570227.db2.gz JEQRGGNGXASFJV-HNNXBMFYSA-N 2 2 271.408 3.229 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000151122674 371572003 /nfs/dbraw/zinc/57/20/03/371572003.db2.gz IFHCRXSRMWEAOV-LBPRGKRZSA-N 2 2 293.798 3.286 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421825026 371647242 /nfs/dbraw/zinc/64/72/42/371647242.db2.gz LIYBRUJCGAMGIP-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421825026 371647248 /nfs/dbraw/zinc/64/72/48/371647248.db2.gz LIYBRUJCGAMGIP-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421866228 371688001 /nfs/dbraw/zinc/68/80/01/371688001.db2.gz AIXRDIPILPYPLO-UHOFOFEASA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421866228 371688010 /nfs/dbraw/zinc/68/80/10/371688010.db2.gz AIXRDIPILPYPLO-UHOFOFEASA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000337347567 214020672 /nfs/dbraw/zinc/02/06/72/214020672.db2.gz XRCRNLOCPOUXBD-ATLSCFEFSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[N@H+]1C1CC1 ZINC000337347567 214020674 /nfs/dbraw/zinc/02/06/74/214020674.db2.gz XRCRNLOCPOUXBD-ATLSCFEFSA-N 2 2 299.462 3.323 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)C ZINC000422703422 371759131 /nfs/dbraw/zinc/75/91/31/371759131.db2.gz HQXRKANOPOWDPR-SOLBZPMBSA-N 2 2 290.451 3.049 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000337340263 214017015 /nfs/dbraw/zinc/01/70/15/214017015.db2.gz PGRBJOJFAWXLLB-WBVHZDCISA-N 2 2 278.440 3.001 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000344036923 217023228 /nfs/dbraw/zinc/02/32/28/217023228.db2.gz VTNWQWQTVYKPTE-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422791189 371810221 /nfs/dbraw/zinc/81/02/21/371810221.db2.gz VPQHNDLHTFZOFY-LSDHHAIUSA-N 2 2 266.816 3.379 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422793983 371813130 /nfs/dbraw/zinc/81/31/30/371813130.db2.gz XXAPBESLYRSTFP-HRCADAONSA-N 2 2 296.842 3.148 20 0 CGADLP CC[C@H]([NH2+]C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422793984 371814200 /nfs/dbraw/zinc/81/42/00/371814200.db2.gz XXAPBESLYRSTFP-JYJNAYRXSA-N 2 2 296.842 3.148 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875561 371849900 /nfs/dbraw/zinc/84/99/00/371849900.db2.gz PEMAHAKYMZPBRE-DLBZAZTESA-N 2 2 282.387 3.238 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000344061645 217033730 /nfs/dbraw/zinc/03/37/30/217033730.db2.gz AQDWTZQIQYRIEC-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000422916647 371868514 /nfs/dbraw/zinc/86/85/14/371868514.db2.gz BGRXZJDMLYLWGT-YIBTVLSRSA-N 2 2 282.790 3.413 20 0 CGADLP COc1ccc(C2([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422943626 371882613 /nfs/dbraw/zinc/88/26/13/371882613.db2.gz YOHFWFRSIDGBGN-ROUUACIJSA-N 2 2 294.398 3.419 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000422973418 371897012 /nfs/dbraw/zinc/89/70/12/371897012.db2.gz OMLXXGODJXFUNW-DLBZAZTESA-N 2 2 297.402 3.103 20 0 CGADLP CCCCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423017484 371918515 /nfs/dbraw/zinc/91/85/15/371918515.db2.gz OXZIZKUKPCCQGS-ZWKOTPCHSA-N 2 2 298.434 3.226 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423093953 371958681 /nfs/dbraw/zinc/95/86/81/371958681.db2.gz AUWNHLMQMDVSPZ-LALPHHSUSA-N 2 2 264.438 3.200 20 0 CGADLP CCc1cnc(C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000290307435 371960255 /nfs/dbraw/zinc/96/02/55/371960255.db2.gz IJXPZPUPEPCBOM-UHFFFAOYSA-N 2 2 275.421 3.131 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423108264 371969825 /nfs/dbraw/zinc/96/98/25/371969825.db2.gz QSIHAYKONSVBFD-GJZGRUSLSA-N 2 2 296.842 3.359 20 0 CGADLP C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c[nH+]ccc1N ZINC000423172853 372002509 /nfs/dbraw/zinc/00/25/09/372002509.db2.gz VQWCQJSLFWXMCE-LBPRGKRZSA-N 2 2 284.407 3.037 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423143406 371988236 /nfs/dbraw/zinc/98/82/36/371988236.db2.gz CZINEXUTLAJWGA-HUUCEWRRSA-N 2 2 298.377 3.123 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423083414 371952250 /nfs/dbraw/zinc/95/22/50/371952250.db2.gz FZKARONXNMCIDY-HUUCEWRRSA-N 2 2 274.339 3.055 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423090523 371956638 /nfs/dbraw/zinc/95/66/38/371956638.db2.gz XWDJZRVFOQIGDG-BLLLJJGKSA-N 2 2 288.366 3.173 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423196703 372020935 /nfs/dbraw/zinc/02/09/35/372020935.db2.gz VYNMROQMHREMKK-UONOGXRCSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423196699 372021083 /nfs/dbraw/zinc/02/10/83/372021083.db2.gz VYGABDSUNWFONS-YPMHNXCESA-N 2 2 264.438 3.030 20 0 CGADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000290582023 372023392 /nfs/dbraw/zinc/02/33/92/372023392.db2.gz URQCHFIQCVOETN-CQSZACIVSA-N 2 2 275.371 3.148 20 0 CGADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000290582023 372023398 /nfs/dbraw/zinc/02/33/98/372023398.db2.gz URQCHFIQCVOETN-CQSZACIVSA-N 2 2 275.371 3.148 20 0 CGADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423204999 372029278 /nfs/dbraw/zinc/02/92/78/372029278.db2.gz BGEIRQWHUCYBLD-HUUCEWRRSA-N 2 2 264.800 3.133 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCC1 ZINC000423319939 372051720 /nfs/dbraw/zinc/05/17/20/372051720.db2.gz FTIFTVFJANVSFG-CYBMUJFWSA-N 2 2 280.799 3.025 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cs1 ZINC000290523356 372009667 /nfs/dbraw/zinc/00/96/67/372009667.db2.gz QEECKLWOWNTBJO-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cs1 ZINC000290523356 372009676 /nfs/dbraw/zinc/00/96/76/372009676.db2.gz QEECKLWOWNTBJO-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000423185440 372013721 /nfs/dbraw/zinc/01/37/21/372013721.db2.gz JKWAQGPQUCCQGS-HIFRSBDPSA-N 2 2 276.449 3.182 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423559803 372073128 /nfs/dbraw/zinc/07/31/28/372073128.db2.gz PEWDSJMBNZSYRU-CXAGYDPISA-N 2 2 288.435 3.149 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCO[C@H](C)C3)cc2)c1C ZINC000291030834 372099751 /nfs/dbraw/zinc/09/97/51/372099751.db2.gz BINMLHLLOGOWPE-WBMJQRKESA-N 2 2 285.391 3.469 20 0 CGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000355061346 227358150 /nfs/dbraw/zinc/35/81/50/227358150.db2.gz JHGGHTALRKWVPM-OAHLLOKOSA-N 2 2 257.381 3.241 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960242 372148321 /nfs/dbraw/zinc/14/83/21/372148321.db2.gz NYKCTNXIPQJUGP-XJKSGUPXSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960242 372148329 /nfs/dbraw/zinc/14/83/29/372148329.db2.gz NYKCTNXIPQJUGP-XJKSGUPXSA-N 2 2 292.854 3.345 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672227 541867707 /nfs/dbraw/zinc/86/77/07/541867707.db2.gz RKTPKVVYPYVYQR-RHSMWYFYSA-N 2 2 260.425 3.384 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672227 541867709 /nfs/dbraw/zinc/86/77/09/541867709.db2.gz RKTPKVVYPYVYQR-RHSMWYFYSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000427702019 372175439 /nfs/dbraw/zinc/17/54/39/372175439.db2.gz POXAZMBEZHPWSX-SNRMKQJTSA-N 2 2 286.463 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000427702019 372175444 /nfs/dbraw/zinc/17/54/44/372175444.db2.gz POXAZMBEZHPWSX-SNRMKQJTSA-N 2 2 286.463 3.326 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427869454 372176838 /nfs/dbraw/zinc/17/68/38/372176838.db2.gz SDOBUIXVSQRHSH-MSOLQXFVSA-N 2 2 295.430 3.117 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000428551200 372230028 /nfs/dbraw/zinc/23/00/28/372230028.db2.gz JZRQOWBVUSSPFL-XEZPLFJOSA-N 2 2 296.842 3.037 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000428551200 372230034 /nfs/dbraw/zinc/23/00/34/372230034.db2.gz JZRQOWBVUSSPFL-XEZPLFJOSA-N 2 2 296.842 3.037 20 0 CGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C(C)C)c(C)c1 ZINC000344296693 217137793 /nfs/dbraw/zinc/13/77/93/217137793.db2.gz MHYNPEGCAOZKTK-MRXNPFEDSA-N 2 2 257.381 3.239 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344320656 217148618 /nfs/dbraw/zinc/14/86/18/217148618.db2.gz DMTACEGPDIQGCY-WMLDXEAASA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344320656 217148621 /nfs/dbraw/zinc/14/86/21/217148621.db2.gz DMTACEGPDIQGCY-WMLDXEAASA-N 2 2 276.424 3.046 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939889 372408401 /nfs/dbraw/zinc/40/84/01/372408401.db2.gz MSYYDLSEEYMWFQ-VNHYZAJKSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939889 372408407 /nfs/dbraw/zinc/40/84/07/372408407.db2.gz MSYYDLSEEYMWFQ-VNHYZAJKSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000162846225 372427119 /nfs/dbraw/zinc/42/71/19/372427119.db2.gz CSUAXBKYBKBJMV-KBPBESRZSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000162846225 372427126 /nfs/dbraw/zinc/42/71/26/372427126.db2.gz CSUAXBKYBKBJMV-KBPBESRZSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000162846225 372427133 /nfs/dbraw/zinc/42/71/33/372427133.db2.gz CSUAXBKYBKBJMV-KBPBESRZSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000162846225 372427140 /nfs/dbraw/zinc/42/71/40/372427140.db2.gz CSUAXBKYBKBJMV-KBPBESRZSA-N 2 2 262.397 3.289 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCC2 ZINC000166316732 372570556 /nfs/dbraw/zinc/57/05/56/372570556.db2.gz QQXFVOYERAKGRB-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000166316732 372570562 /nfs/dbraw/zinc/57/05/62/372570562.db2.gz QQXFVOYERAKGRB-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c21 ZINC000165261184 372547325 /nfs/dbraw/zinc/54/73/25/372547325.db2.gz XXGDKDUXMBNPLF-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c21 ZINC000165261184 372547329 /nfs/dbraw/zinc/54/73/29/372547329.db2.gz XXGDKDUXMBNPLF-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353365772 220046194 /nfs/dbraw/zinc/04/61/94/220046194.db2.gz WBZCQYGVRIDDJQ-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000353365772 220046197 /nfs/dbraw/zinc/04/61/97/220046197.db2.gz WBZCQYGVRIDDJQ-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000434617639 372694932 /nfs/dbraw/zinc/69/49/32/372694932.db2.gz MEPOXFGGVCDRNH-INIZCTEOSA-N 2 2 275.371 3.351 20 0 CGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000434617639 372694934 /nfs/dbraw/zinc/69/49/34/372694934.db2.gz MEPOXFGGVCDRNH-INIZCTEOSA-N 2 2 275.371 3.351 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)CC ZINC000434988756 372723137 /nfs/dbraw/zinc/72/31/37/372723137.db2.gz WFDNXSVMJHDHCZ-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)CC ZINC000434988756 372723142 /nfs/dbraw/zinc/72/31/42/372723142.db2.gz WFDNXSVMJHDHCZ-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)CC ZINC000434988756 372723151 /nfs/dbraw/zinc/72/31/51/372723151.db2.gz WFDNXSVMJHDHCZ-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)CC ZINC000434988756 372723157 /nfs/dbraw/zinc/72/31/57/372723157.db2.gz WFDNXSVMJHDHCZ-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000295222805 372707308 /nfs/dbraw/zinc/70/73/08/372707308.db2.gz BWXBSGXEIYMEOP-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000295222805 372707312 /nfs/dbraw/zinc/70/73/12/372707312.db2.gz BWXBSGXEIYMEOP-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434783904 372710271 /nfs/dbraw/zinc/71/02/71/372710271.db2.gz BWVNMWDREMFIDK-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434783904 372710279 /nfs/dbraw/zinc/71/02/79/372710279.db2.gz BWVNMWDREMFIDK-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434797605 372714562 /nfs/dbraw/zinc/71/45/62/372714562.db2.gz ZFJVRILSCMADQZ-DDKKJVIOSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434797605 372714565 /nfs/dbraw/zinc/71/45/65/372714565.db2.gz ZFJVRILSCMADQZ-DDKKJVIOSA-N 2 2 288.410 3.445 20 0 CGADLP COc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000435375885 372753529 /nfs/dbraw/zinc/75/35/29/372753529.db2.gz OPBBIILWNNNKKM-OAHLLOKOSA-N 2 2 298.386 3.021 20 0 CGADLP COc1ccc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000435375885 372753532 /nfs/dbraw/zinc/75/35/32/372753532.db2.gz OPBBIILWNNNKKM-OAHLLOKOSA-N 2 2 298.386 3.021 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000435872041 372821532 /nfs/dbraw/zinc/82/15/32/372821532.db2.gz MMARJGUTWDQGBP-CQSZACIVSA-N 2 2 284.856 3.039 20 0 CGADLP C[NH2+]CCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000435872041 372821538 /nfs/dbraw/zinc/82/15/38/372821538.db2.gz MMARJGUTWDQGBP-CQSZACIVSA-N 2 2 284.856 3.039 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000435735658 372799556 /nfs/dbraw/zinc/79/95/56/372799556.db2.gz OXYBWLPKMZTKRK-UKRRQHHQSA-N 2 2 290.476 3.166 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000435735658 372799561 /nfs/dbraw/zinc/79/95/61/372799561.db2.gz OXYBWLPKMZTKRK-UKRRQHHQSA-N 2 2 290.476 3.166 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000436412216 372836150 /nfs/dbraw/zinc/83/61/50/372836150.db2.gz PBPONHLZKIQYSN-ZACQAIPSSA-N 2 2 281.403 3.124 20 0 CGADLP CC(F)(F)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295611654 372846494 /nfs/dbraw/zinc/84/64/94/372846494.db2.gz DSYUKQQLAKRCRJ-UHFFFAOYSA-N 2 2 283.366 3.075 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000438184209 372905191 /nfs/dbraw/zinc/90/51/91/372905191.db2.gz ARZQXXKPCHHBEJ-HOTGVXAUSA-N 2 2 290.451 3.132 20 0 CGADLP c1ccc(OCCCCC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438185298 372905386 /nfs/dbraw/zinc/90/53/86/372905386.db2.gz DBQPXNHAFCGXAL-MRXNPFEDSA-N 2 2 288.435 3.062 20 0 CGADLP c1ccc(OCCCCC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000438185298 372905396 /nfs/dbraw/zinc/90/53/96/372905396.db2.gz DBQPXNHAFCGXAL-MRXNPFEDSA-N 2 2 288.435 3.062 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000438206739 372912554 /nfs/dbraw/zinc/91/25/54/372912554.db2.gz CZATYPWCTHJFPS-CVEARBPZSA-N 2 2 292.442 3.467 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438205173 372912729 /nfs/dbraw/zinc/91/27/29/372912729.db2.gz XLMDHDBKZBASOP-ZWKOTPCHSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438205173 372912735 /nfs/dbraw/zinc/91/27/35/372912735.db2.gz XLMDHDBKZBASOP-ZWKOTPCHSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000296026188 372997987 /nfs/dbraw/zinc/99/79/87/372997987.db2.gz MWSIUCRWTTWBJA-MRXNPFEDSA-N 2 2 273.355 3.196 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000442870256 373112398 /nfs/dbraw/zinc/11/23/98/373112398.db2.gz FZROEKZJSGTCAN-OLZOCXBDSA-N 2 2 287.432 3.271 20 0 CGADLP C[C@@H]1c2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444622520 373214156 /nfs/dbraw/zinc/21/41/56/373214156.db2.gz VUVMVBAFRGYROI-OAHLLOKOSA-N 2 2 258.409 3.439 20 0 CGADLP C[C@@H]1c2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444622520 373214167 /nfs/dbraw/zinc/21/41/67/373214167.db2.gz VUVMVBAFRGYROI-OAHLLOKOSA-N 2 2 258.409 3.439 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000174075347 373245466 /nfs/dbraw/zinc/24/54/66/373245466.db2.gz BQQOQRJENQUWCR-HOTGVXAUSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000174075347 373245473 /nfs/dbraw/zinc/24/54/73/373245473.db2.gz BQQOQRJENQUWCR-HOTGVXAUSA-N 2 2 283.419 3.253 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624122 220197804 /nfs/dbraw/zinc/19/78/04/220197804.db2.gz MRQCBEMVXVFGIK-AEFFLSMTSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624122 220197807 /nfs/dbraw/zinc/19/78/07/220197807.db2.gz MRQCBEMVXVFGIK-AEFFLSMTSA-N 2 2 290.451 3.458 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCC2 ZINC000353633076 220208751 /nfs/dbraw/zinc/20/87/51/220208751.db2.gz VWDOIJRYSQHDDE-JQWIXIFHSA-N 2 2 287.432 3.168 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000353633076 220208754 /nfs/dbraw/zinc/20/87/54/220208754.db2.gz VWDOIJRYSQHDDE-JQWIXIFHSA-N 2 2 287.432 3.168 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CS1 ZINC000448371585 373574780 /nfs/dbraw/zinc/57/47/80/373574780.db2.gz NMWMZGYOHGZFNS-QLFBSQMISA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CS1 ZINC000448371585 373574792 /nfs/dbraw/zinc/57/47/92/373574792.db2.gz NMWMZGYOHGZFNS-QLFBSQMISA-N 2 2 284.513 3.227 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000177806914 373711059 /nfs/dbraw/zinc/71/10/59/373711059.db2.gz OZZMMFNFUGMAKL-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc[nH+]1 ZINC000301227303 373698638 /nfs/dbraw/zinc/69/86/38/373698638.db2.gz FPDUQMGZIKZSSO-UHFFFAOYSA-N 2 2 296.418 3.383 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000178957742 373820977 /nfs/dbraw/zinc/82/09/77/373820977.db2.gz QLICEJVKQJEVOY-QAPCUYQASA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000178957742 373820985 /nfs/dbraw/zinc/82/09/85/373820985.db2.gz QLICEJVKQJEVOY-QAPCUYQASA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCCC3(F)F)c[nH+]c12 ZINC000449500962 373798513 /nfs/dbraw/zinc/79/85/13/373798513.db2.gz VLPSYUHNHDPKFJ-GFCCVEGCSA-N 2 2 279.334 3.168 20 0 CGADLP c1cn2c(cccc2C[N@@H+](Cc2ccccc2)C2CC2)[nH+]1 ZINC000179662976 373901205 /nfs/dbraw/zinc/90/12/05/373901205.db2.gz OJGDWUTWSAGTFO-UHFFFAOYSA-N 2 2 277.371 3.499 20 0 CGADLP c1cn2c(cccc2C[N@H+](Cc2ccccc2)C2CC2)[nH+]1 ZINC000179662976 373901216 /nfs/dbraw/zinc/90/12/16/373901216.db2.gz OJGDWUTWSAGTFO-UHFFFAOYSA-N 2 2 277.371 3.499 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000071200725 541895045 /nfs/dbraw/zinc/89/50/45/541895045.db2.gz ZBMSPHIWAZFZEH-BRWVUGGUSA-N 2 2 258.409 3.005 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000071200725 541895048 /nfs/dbraw/zinc/89/50/48/541895048.db2.gz ZBMSPHIWAZFZEH-BRWVUGGUSA-N 2 2 258.409 3.005 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)n1-c1ccccc1 ZINC000449742806 373873841 /nfs/dbraw/zinc/87/38/41/373873841.db2.gz RGVSLEWEJKSZSR-YJBOKZPZSA-N 2 2 281.403 3.316 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000179705364 373906927 /nfs/dbraw/zinc/90/69/27/373906927.db2.gz AVDBXHACCQWFGE-QGZVFWFLSA-N 2 2 291.398 3.399 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000179705364 373906936 /nfs/dbraw/zinc/90/69/36/373906936.db2.gz AVDBXHACCQWFGE-QGZVFWFLSA-N 2 2 291.398 3.399 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H]([NH+](C)C)C1 ZINC000302657100 373917232 /nfs/dbraw/zinc/91/72/32/373917232.db2.gz OFXBISPUAMVQTM-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000179835136 373926156 /nfs/dbraw/zinc/92/61/56/373926156.db2.gz LNKGRLZXIHHMGW-CJNGLKHVSA-N 2 2 276.424 3.365 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353670026 220243925 /nfs/dbraw/zinc/24/39/25/220243925.db2.gz FTFQUVDMYWKCAF-WBVHZDCISA-N 2 2 282.387 3.130 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353670026 220243929 /nfs/dbraw/zinc/24/39/29/220243929.db2.gz FTFQUVDMYWKCAF-WBVHZDCISA-N 2 2 282.387 3.130 20 0 CGADLP COC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000180198171 373977311 /nfs/dbraw/zinc/97/73/11/373977311.db2.gz KIHCBMJIIIVIBK-AWEZNQCLSA-N 2 2 285.391 3.092 20 0 CGADLP CC(C)Oc1ccc2[nH+]ccc(N(C)Cc3[nH]cc[nH+]3)c2c1 ZINC000450340507 374067362 /nfs/dbraw/zinc/06/73/62/374067362.db2.gz VVYBHVCBVJWZLV-UHFFFAOYSA-N 2 2 296.374 3.382 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCCOC(C)C ZINC000289501272 197379974 /nfs/dbraw/zinc/37/99/74/197379974.db2.gz DLQSAEBTGNRBSE-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCCOC(C)C ZINC000289501272 197379976 /nfs/dbraw/zinc/37/99/76/197379976.db2.gz DLQSAEBTGNRBSE-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)[nH]1 ZINC000450557774 374160395 /nfs/dbraw/zinc/16/03/95/374160395.db2.gz BXMOOZOVNYIMEC-OAHLLOKOSA-N 2 2 259.397 3.480 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)[nH]1 ZINC000450557774 374160403 /nfs/dbraw/zinc/16/04/03/374160403.db2.gz BXMOOZOVNYIMEC-OAHLLOKOSA-N 2 2 259.397 3.480 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000450699993 374172985 /nfs/dbraw/zinc/17/29/85/374172985.db2.gz ZDBHXJLCXWLCCQ-MSOLQXFVSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000450699993 374172995 /nfs/dbraw/zinc/17/29/95/374172995.db2.gz ZDBHXJLCXWLCCQ-MSOLQXFVSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000450699993 374173005 /nfs/dbraw/zinc/17/30/05/374173005.db2.gz ZDBHXJLCXWLCCQ-MSOLQXFVSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000450699993 374173011 /nfs/dbraw/zinc/17/30/11/374173011.db2.gz ZDBHXJLCXWLCCQ-MSOLQXFVSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984145 374188767 /nfs/dbraw/zinc/18/87/67/374188767.db2.gz UKYIWVJGSNIIOV-RCCFBDPRSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984145 374188773 /nfs/dbraw/zinc/18/87/73/374188773.db2.gz UKYIWVJGSNIIOV-RCCFBDPRSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984145 374188776 /nfs/dbraw/zinc/18/87/76/374188776.db2.gz UKYIWVJGSNIIOV-RCCFBDPRSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984145 374188783 /nfs/dbraw/zinc/18/87/83/374188783.db2.gz UKYIWVJGSNIIOV-RCCFBDPRSA-N 2 2 296.499 3.265 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000313271004 374301026 /nfs/dbraw/zinc/30/10/26/374301026.db2.gz OHFOFRGSZHFVQO-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000314131935 374313159 /nfs/dbraw/zinc/31/31/59/374313159.db2.gz KKOMYGQWJTYIEB-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000314131935 374313165 /nfs/dbraw/zinc/31/31/65/374313165.db2.gz KKOMYGQWJTYIEB-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[N@H+](C)C1CC1 ZINC000453096811 374364357 /nfs/dbraw/zinc/36/43/57/374364357.db2.gz IGXFUFKYKGZGJH-MLGOLLRUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[N@@H+](C)C1CC1 ZINC000453096811 374364362 /nfs/dbraw/zinc/36/43/62/374364362.db2.gz IGXFUFKYKGZGJH-MLGOLLRUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415545 374475109 /nfs/dbraw/zinc/47/51/09/374475109.db2.gz ZAHSLKSUECTXSH-XJKSGUPXSA-N 2 2 262.441 3.195 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415545 374475112 /nfs/dbraw/zinc/47/51/12/374475112.db2.gz ZAHSLKSUECTXSH-XJKSGUPXSA-N 2 2 262.441 3.195 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000334216626 206205727 /nfs/dbraw/zinc/20/57/27/206205727.db2.gz GFQFITZDOSKSMW-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000334216626 206205732 /nfs/dbraw/zinc/20/57/32/206205732.db2.gz GFQFITZDOSKSMW-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1(C)C ZINC000185235652 374616846 /nfs/dbraw/zinc/61/68/46/374616846.db2.gz YEOJKKGDQKPOJV-HUUCEWRRSA-N 2 2 291.439 3.065 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158498753 296223577 /nfs/dbraw/zinc/22/35/77/296223577.db2.gz COIMPLCDQYZPQV-WOSRLPQWSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158498753 296223579 /nfs/dbraw/zinc/22/35/79/296223579.db2.gz COIMPLCDQYZPQV-WOSRLPQWSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158498753 296223581 /nfs/dbraw/zinc/22/35/81/296223581.db2.gz COIMPLCDQYZPQV-WOSRLPQWSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158498753 296223583 /nfs/dbraw/zinc/22/35/83/296223583.db2.gz COIMPLCDQYZPQV-WOSRLPQWSA-N 2 2 294.389 3.442 20 0 CGADLP COC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000187453581 375024189 /nfs/dbraw/zinc/02/41/89/375024189.db2.gz WGEDWPUZFJNQPY-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335018560 375074590 /nfs/dbraw/zinc/07/45/90/375074590.db2.gz UYZIYVQWEMOELR-HNNXBMFYSA-N 2 2 276.811 3.155 20 0 CGADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000187722124 375080970 /nfs/dbraw/zinc/08/09/70/375080970.db2.gz IJWIZVHCHJNWRN-CQSZACIVSA-N 2 2 290.455 3.090 20 0 CGADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000187722124 375080975 /nfs/dbraw/zinc/08/09/75/375080975.db2.gz IJWIZVHCHJNWRN-CQSZACIVSA-N 2 2 290.455 3.090 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc21 ZINC000335035307 375084397 /nfs/dbraw/zinc/08/43/97/375084397.db2.gz USFHBEPXSLKKDE-HOTGVXAUSA-N 2 2 274.314 3.199 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583376 375048815 /nfs/dbraw/zinc/04/88/15/375048815.db2.gz QKAWMYSUXDSDFK-HFAKWTLXSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583376 375048819 /nfs/dbraw/zinc/04/88/19/375048819.db2.gz QKAWMYSUXDSDFK-HFAKWTLXSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000475501205 375135239 /nfs/dbraw/zinc/13/52/39/375135239.db2.gz DPKYPVOHKNVNBX-RZAIGCCYSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000475501205 375135242 /nfs/dbraw/zinc/13/52/42/375135242.db2.gz DPKYPVOHKNVNBX-RZAIGCCYSA-N 2 2 288.410 3.275 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccccc2C)C2CC2)[C@@H](C)C1 ZINC000482944106 375174305 /nfs/dbraw/zinc/17/43/05/375174305.db2.gz GVHCVRUABMLZSN-JCGIZDLHSA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccccc2C)C2CC2)[C@@H](C)C1 ZINC000482944106 375174312 /nfs/dbraw/zinc/17/43/12/375174312.db2.gz GVHCVRUABMLZSN-JCGIZDLHSA-N 2 2 272.436 3.376 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188446354 375216575 /nfs/dbraw/zinc/21/65/75/375216575.db2.gz KOTFNOMZIRHNMN-KRWDZBQOSA-N 2 2 258.409 3.207 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188446354 375216582 /nfs/dbraw/zinc/21/65/82/375216582.db2.gz KOTFNOMZIRHNMN-KRWDZBQOSA-N 2 2 258.409 3.207 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000487320583 375228761 /nfs/dbraw/zinc/22/87/61/375228761.db2.gz PPCWHGQDHDOCGQ-JSGCOSHPSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000487320583 375228763 /nfs/dbraw/zinc/22/87/63/375228763.db2.gz PPCWHGQDHDOCGQ-JSGCOSHPSA-N 2 2 296.842 3.311 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000189069502 375318419 /nfs/dbraw/zinc/31/84/19/375318419.db2.gz RCJWEPFSMLZAKU-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069502 375318424 /nfs/dbraw/zinc/31/84/24/375318424.db2.gz RCJWEPFSMLZAKU-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069502 375318430 /nfs/dbraw/zinc/31/84/30/375318430.db2.gz RCJWEPFSMLZAKU-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069502 375318434 /nfs/dbraw/zinc/31/84/34/375318434.db2.gz RCJWEPFSMLZAKU-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000335691463 375349544 /nfs/dbraw/zinc/34/95/44/375349544.db2.gz NSNNSSNNPYXUAU-IUODEOHRSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000335691463 375349546 /nfs/dbraw/zinc/34/95/46/375349546.db2.gz NSNNSSNNPYXUAU-IUODEOHRSA-N 2 2 272.392 3.171 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335723771 375379009 /nfs/dbraw/zinc/37/90/09/375379009.db2.gz JFFZNVDOALMIFE-GXTWGEPZSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335723771 375379018 /nfs/dbraw/zinc/37/90/18/375379018.db2.gz JFFZNVDOALMIFE-GXTWGEPZSA-N 2 2 273.355 3.489 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000335798131 375438702 /nfs/dbraw/zinc/43/87/02/375438702.db2.gz HDSHRUFRYHSESO-INIZCTEOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000335798131 375438714 /nfs/dbraw/zinc/43/87/14/375438714.db2.gz HDSHRUFRYHSESO-INIZCTEOSA-N 2 2 293.842 3.185 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCCCC1 ZINC000191921488 375678554 /nfs/dbraw/zinc/67/85/54/375678554.db2.gz PWGDZOQNWGDERH-UHFFFAOYSA-N 2 2 255.365 3.167 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000507466382 375703358 /nfs/dbraw/zinc/70/33/58/375703358.db2.gz CVMFDLJLIVRMBC-GVDBMIGSSA-N 2 2 284.488 3.148 20 0 CGADLP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)co1 ZINC000192300191 375728474 /nfs/dbraw/zinc/72/84/74/375728474.db2.gz WXMJASNPIFAEFE-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1sccc1Cl ZINC000192975082 375810211 /nfs/dbraw/zinc/81/02/11/375810211.db2.gz FCNUFNDJUHHPGO-UHFFFAOYSA-N 2 2 260.834 3.079 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000193150463 375833669 /nfs/dbraw/zinc/83/36/69/375833669.db2.gz DECRJBKFVVKHDZ-RHSMWYFYSA-N 2 2 287.451 3.223 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000193150463 375833673 /nfs/dbraw/zinc/83/36/73/375833673.db2.gz DECRJBKFVVKHDZ-RHSMWYFYSA-N 2 2 287.451 3.223 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]2C)n1-c1ccccc1 ZINC000336811478 375963367 /nfs/dbraw/zinc/96/33/67/375963367.db2.gz NEPBFAMKVUIHKB-MLGOLLRUSA-N 2 2 255.365 3.069 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000535800361 376062360 /nfs/dbraw/zinc/06/23/60/376062360.db2.gz IFWWBTHIUCILJK-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000535800361 376062365 /nfs/dbraw/zinc/06/23/65/376062365.db2.gz IFWWBTHIUCILJK-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000536067675 376077640 /nfs/dbraw/zinc/07/76/40/376077640.db2.gz VFLJGCAZGRNJJQ-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000536067675 376077648 /nfs/dbraw/zinc/07/76/48/376077648.db2.gz VFLJGCAZGRNJJQ-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221146151 376212708 /nfs/dbraw/zinc/21/27/08/376212708.db2.gz KHCYNFLLXXKTKJ-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221146151 376212711 /nfs/dbraw/zinc/21/27/11/376212711.db2.gz KHCYNFLLXXKTKJ-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221430991 376216626 /nfs/dbraw/zinc/21/66/26/376216626.db2.gz WESSWKHYGRKNNI-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221430991 376216632 /nfs/dbraw/zinc/21/66/32/376216632.db2.gz WESSWKHYGRKNNI-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337469492 376222604 /nfs/dbraw/zinc/22/26/04/376222604.db2.gz NBFORFPLAPBUNN-DLBZAZTESA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337469492 376222613 /nfs/dbraw/zinc/22/26/13/376222613.db2.gz NBFORFPLAPBUNN-DLBZAZTESA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000538188807 376223510 /nfs/dbraw/zinc/22/35/10/376223510.db2.gz YYGWXIMQXWNSCS-OCCSQVGLSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000538188807 376223515 /nfs/dbraw/zinc/22/35/15/376223515.db2.gz YYGWXIMQXWNSCS-OCCSQVGLSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000221997288 376227400 /nfs/dbraw/zinc/22/74/00/376227400.db2.gz ZZHHBFZDVDJUNS-CKEIUWERSA-N 2 2 269.392 3.500 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000338304624 376327193 /nfs/dbraw/zinc/32/71/93/376327193.db2.gz QABBCNLVXQPONH-AWEZNQCLSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000539849402 376341170 /nfs/dbraw/zinc/34/11/70/376341170.db2.gz BWVNCWYXZKTERM-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000539849402 376341177 /nfs/dbraw/zinc/34/11/77/376341177.db2.gz BWVNCWYXZKTERM-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539849402 376341185 /nfs/dbraw/zinc/34/11/85/376341185.db2.gz BWVNCWYXZKTERM-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539849402 376341197 /nfs/dbraw/zinc/34/11/97/376341197.db2.gz BWVNCWYXZKTERM-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C12CCCCC2 ZINC000224628157 376284232 /nfs/dbraw/zinc/28/42/32/376284232.db2.gz GIWRJBPMSAMCPS-HYVNUMGLSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C12CCCCC2 ZINC000224628157 376284236 /nfs/dbraw/zinc/28/42/36/376284236.db2.gz GIWRJBPMSAMCPS-HYVNUMGLSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000225001304 376292185 /nfs/dbraw/zinc/29/21/85/376292185.db2.gz WNSCSTRCIRPIKA-GFCCVEGCSA-N 2 2 282.378 3.488 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000227676520 376405933 /nfs/dbraw/zinc/40/59/33/376405933.db2.gz VXZUJDGTVVFACK-GXTWGEPZSA-N 2 2 255.365 3.164 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC2(C)C)n1-c1ccccc1 ZINC000227761236 376409757 /nfs/dbraw/zinc/40/97/57/376409757.db2.gz LCUWJQAARPVMEX-CQSZACIVSA-N 2 2 269.392 3.316 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCc2ccccc2C1 ZINC000541057198 376418475 /nfs/dbraw/zinc/41/84/75/376418475.db2.gz AOCOUKYJBWMQNW-AHRSYUTCSA-N 2 2 298.474 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCc2ccccc2C1 ZINC000541057198 376418481 /nfs/dbraw/zinc/41/84/81/376418481.db2.gz AOCOUKYJBWMQNW-AHRSYUTCSA-N 2 2 298.474 3.350 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCc2ccccc2C1 ZINC000541057198 376418493 /nfs/dbraw/zinc/41/84/93/376418493.db2.gz AOCOUKYJBWMQNW-AHRSYUTCSA-N 2 2 298.474 3.350 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ccccc2C1 ZINC000541057198 376418499 /nfs/dbraw/zinc/41/84/99/376418499.db2.gz AOCOUKYJBWMQNW-AHRSYUTCSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000540316428 376369246 /nfs/dbraw/zinc/36/92/46/376369246.db2.gz VALMOVAKWHDLHU-PJSAGSTRSA-N 2 2 288.410 3.349 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000540316428 376369255 /nfs/dbraw/zinc/36/92/55/376369255.db2.gz VALMOVAKWHDLHU-PJSAGSTRSA-N 2 2 288.410 3.349 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000541588120 376462337 /nfs/dbraw/zinc/46/23/37/376462337.db2.gz QUGYWDNSCRHYFL-DLBZAZTESA-N 2 2 274.452 3.329 20 0 CGADLP COc1cccc2c(NCC[N@H+]3CC=CCC3)cc(C)[nH+]c12 ZINC000338713311 376494324 /nfs/dbraw/zinc/49/43/24/376494324.db2.gz QHYZILICPADPFW-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP COc1cccc2c(NCC[N@@H+]3CC=CCC3)cc(C)[nH+]c12 ZINC000338713311 376494329 /nfs/dbraw/zinc/49/43/29/376494329.db2.gz QHYZILICPADPFW-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462692 376561073 /nfs/dbraw/zinc/56/10/73/376561073.db2.gz JHMICSOXUCRJJW-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231462692 376561078 /nfs/dbraw/zinc/56/10/78/376561078.db2.gz JHMICSOXUCRJJW-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000230660060 376525610 /nfs/dbraw/zinc/52/56/10/376525610.db2.gz WZURQFIWANRYRC-GJZGRUSLSA-N 2 2 273.424 3.076 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000338779744 376530521 /nfs/dbraw/zinc/53/05/21/376530521.db2.gz LJNSVABMBXWHTD-GJZGRUSLSA-N 2 2 261.413 3.002 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000233892671 376604674 /nfs/dbraw/zinc/60/46/74/376604674.db2.gz VLDHRBKFAQHCJE-ZIAGYGMSSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000543084454 376604657 /nfs/dbraw/zinc/60/46/57/376604657.db2.gz ZLYUCPBZPGOZAP-GXTWGEPZSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000543084454 376604671 /nfs/dbraw/zinc/60/46/71/376604671.db2.gz ZLYUCPBZPGOZAP-GXTWGEPZSA-N 2 2 275.421 3.282 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000339001306 376620447 /nfs/dbraw/zinc/62/04/47/376620447.db2.gz RBIXEXZHQJOJSH-SFHVURJKSA-N 2 2 287.451 3.094 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000339001306 376620454 /nfs/dbraw/zinc/62/04/54/376620454.db2.gz RBIXEXZHQJOJSH-SFHVURJKSA-N 2 2 287.451 3.094 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC000339123489 376694230 /nfs/dbraw/zinc/69/42/30/376694230.db2.gz GDXYCDWXCLVRTL-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC000339123489 376694234 /nfs/dbraw/zinc/69/42/34/376694234.db2.gz GDXYCDWXCLVRTL-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP CCC(CC)(CC)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000544042243 376697576 /nfs/dbraw/zinc/69/75/76/376697576.db2.gz VSJBJSKWQLTNKH-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000544042243 376697583 /nfs/dbraw/zinc/69/75/83/376697583.db2.gz VSJBJSKWQLTNKH-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000544042243 376697588 /nfs/dbraw/zinc/69/75/88/376697588.db2.gz VSJBJSKWQLTNKH-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000544042243 376697591 /nfs/dbraw/zinc/69/75/91/376697591.db2.gz VSJBJSKWQLTNKH-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)C1 ZINC000339451191 376759960 /nfs/dbraw/zinc/75/99/60/376759960.db2.gz UEUTVQIDHABQPP-DZJNRPSUSA-N 2 2 272.436 3.110 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)C1 ZINC000339451191 376759965 /nfs/dbraw/zinc/75/99/65/376759965.db2.gz UEUTVQIDHABQPP-DZJNRPSUSA-N 2 2 272.436 3.110 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1c(F)cccc1F ZINC000339598250 376769195 /nfs/dbraw/zinc/76/91/95/376769195.db2.gz PFKIDEJZYUMRLK-UHFFFAOYSA-N 2 2 293.361 3.382 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1c(F)cccc1F ZINC000339598250 376769212 /nfs/dbraw/zinc/76/92/12/376769212.db2.gz PFKIDEJZYUMRLK-UHFFFAOYSA-N 2 2 293.361 3.382 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cncc(F)c3)[nH+]c12 ZINC000156335872 542127505 /nfs/dbraw/zinc/12/75/05/542127505.db2.gz KGBTURDOGIPKPS-ZDUSSCGKSA-N 2 2 298.365 3.070 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695174 542138012 /nfs/dbraw/zinc/13/80/12/542138012.db2.gz OBAWWNHATRSNPG-AEFFLSMTSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695174 542138015 /nfs/dbraw/zinc/13/80/15/542138015.db2.gz OBAWWNHATRSNPG-AEFFLSMTSA-N 2 2 288.435 3.220 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000157755954 542139450 /nfs/dbraw/zinc/13/94/50/542139450.db2.gz LQVZSKNPQFMPPE-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000157755954 542139453 /nfs/dbraw/zinc/13/94/53/542139453.db2.gz LQVZSKNPQFMPPE-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000556873576 376893937 /nfs/dbraw/zinc/89/39/37/376893937.db2.gz WWTYHIVWVJQOPX-GJZGRUSLSA-N 2 2 261.413 3.298 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000246156518 376978575 /nfs/dbraw/zinc/97/85/75/376978575.db2.gz LJRYCFIOTCZHDY-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000246156518 376978584 /nfs/dbraw/zinc/97/85/84/376978584.db2.gz LJRYCFIOTCZHDY-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)C[N@@H+]1C1CC1 ZINC000340259425 376967575 /nfs/dbraw/zinc/96/75/75/376967575.db2.gz NGYUOZSBNIYJJO-FMKPAKJESA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)C[N@H+]1C1CC1 ZINC000340259425 376967579 /nfs/dbraw/zinc/96/75/79/376967579.db2.gz NGYUOZSBNIYJJO-FMKPAKJESA-N 2 2 262.441 3.314 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]CC1Cc2ccccc2C1)c1ccccc1 ZINC000558574964 377021531 /nfs/dbraw/zinc/02/15/31/377021531.db2.gz OLLASMTVFXPRCU-HXUWFJFHSA-N 2 2 294.442 3.294 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558918224 377053296 /nfs/dbraw/zinc/05/32/96/377053296.db2.gz BPOMIDSGRYYFBT-XIRDDKMYSA-N 2 2 260.425 3.110 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000558389579 376999722 /nfs/dbraw/zinc/99/97/22/376999722.db2.gz VREDWWYXLRHCKY-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000558389579 376999728 /nfs/dbraw/zinc/99/97/28/376999728.db2.gz VREDWWYXLRHCKY-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc3c(c2)CCCC3)c[nH+]1 ZINC000559066667 377062969 /nfs/dbraw/zinc/06/29/69/377062969.db2.gz NAETUNIRSOXSFC-UHFFFAOYSA-N 2 2 283.419 3.332 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1F ZINC000340473237 377083177 /nfs/dbraw/zinc/08/31/77/377083177.db2.gz NQOQCOJEIBFFSF-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000559741986 377096337 /nfs/dbraw/zinc/09/63/37/377096337.db2.gz QELLYFJSNYNJMT-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000559741986 377096345 /nfs/dbraw/zinc/09/63/45/377096345.db2.gz QELLYFJSNYNJMT-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)C[C@H]1c1ccccc1 ZINC000559786009 377098673 /nfs/dbraw/zinc/09/86/73/377098673.db2.gz FMOYVDHCSDNPIH-YJBOKZPZSA-N 2 2 299.393 3.146 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)C[C@H]1c1ccccc1 ZINC000559786009 377098678 /nfs/dbraw/zinc/09/86/78/377098678.db2.gz FMOYVDHCSDNPIH-YJBOKZPZSA-N 2 2 299.393 3.146 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247139270 377166898 /nfs/dbraw/zinc/16/68/98/377166898.db2.gz WDJQZQNLFFZONO-QWHCGFSZSA-N 2 2 291.464 3.330 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247139270 377166900 /nfs/dbraw/zinc/16/69/00/377166900.db2.gz WDJQZQNLFFZONO-QWHCGFSZSA-N 2 2 291.464 3.330 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247139283 377167013 /nfs/dbraw/zinc/16/70/13/377167013.db2.gz WDJQZQNLFFZONO-STQMWFEESA-N 2 2 291.464 3.330 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247139283 377167017 /nfs/dbraw/zinc/16/70/17/377167017.db2.gz WDJQZQNLFFZONO-STQMWFEESA-N 2 2 291.464 3.330 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892539 377198281 /nfs/dbraw/zinc/19/82/81/377198281.db2.gz MKLPMIBJQPSATH-CRAIPNDOSA-N 2 2 280.415 3.316 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892539 377198291 /nfs/dbraw/zinc/19/82/91/377198291.db2.gz MKLPMIBJQPSATH-CRAIPNDOSA-N 2 2 280.415 3.316 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991448 377253984 /nfs/dbraw/zinc/25/39/84/377253984.db2.gz JLWFOBCYEHOGFF-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991448 377254001 /nfs/dbraw/zinc/25/40/01/377254001.db2.gz JLWFOBCYEHOGFF-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247991448 377254011 /nfs/dbraw/zinc/25/40/11/377254011.db2.gz JLWFOBCYEHOGFF-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991448 377254019 /nfs/dbraw/zinc/25/40/19/377254019.db2.gz JLWFOBCYEHOGFF-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248047964 377260921 /nfs/dbraw/zinc/26/09/21/377260921.db2.gz VPUZHYCTNFMNTJ-SJLPKXTDSA-N 2 2 289.467 3.462 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248047964 377260930 /nfs/dbraw/zinc/26/09/30/377260930.db2.gz VPUZHYCTNFMNTJ-SJLPKXTDSA-N 2 2 289.467 3.462 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248058828 377262668 /nfs/dbraw/zinc/26/26/68/377262668.db2.gz XUURTPFVDZLVNZ-YQQAZPJKSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248058828 377262677 /nfs/dbraw/zinc/26/26/77/377262677.db2.gz XUURTPFVDZLVNZ-YQQAZPJKSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000248534805 377338708 /nfs/dbraw/zinc/33/87/08/377338708.db2.gz WNQKTZAPXNKFAD-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000248534805 377338714 /nfs/dbraw/zinc/33/87/14/377338714.db2.gz WNQKTZAPXNKFAD-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000248899036 377424294 /nfs/dbraw/zinc/42/42/94/377424294.db2.gz UVZZDZFIIQHDRV-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000248899036 377424308 /nfs/dbraw/zinc/42/43/08/377424308.db2.gz UVZZDZFIIQHDRV-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2F)CC1 ZINC000563252424 377428068 /nfs/dbraw/zinc/42/80/68/377428068.db2.gz FECUEVRGTVMQOX-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2F)CC1 ZINC000563252424 377428078 /nfs/dbraw/zinc/42/80/78/377428078.db2.gz FECUEVRGTVMQOX-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000249114903 377465897 /nfs/dbraw/zinc/46/58/97/377465897.db2.gz NQTHLENDQXBKAY-BZSNNMDCSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000249114903 377465912 /nfs/dbraw/zinc/46/59/12/377465912.db2.gz NQTHLENDQXBKAY-BZSNNMDCSA-N 2 2 284.447 3.224 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249182016 377474569 /nfs/dbraw/zinc/47/45/69/377474569.db2.gz IRZMHFAJMRLMAZ-KURKYZTESA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249182016 377474576 /nfs/dbraw/zinc/47/45/76/377474576.db2.gz IRZMHFAJMRLMAZ-KURKYZTESA-N 2 2 272.436 3.181 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101715 542175351 /nfs/dbraw/zinc/17/53/51/542175351.db2.gz ASDKGLCESZKQNQ-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101715 542175354 /nfs/dbraw/zinc/17/53/54/542175354.db2.gz ASDKGLCESZKQNQ-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1 ZINC000313252289 249090322 /nfs/dbraw/zinc/09/03/22/249090322.db2.gz NVCWHGPVUJBLHB-OAHLLOKOSA-N 2 2 277.799 3.357 20 0 CGADLP Fc1ccc(/C=C\C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000470017464 249166410 /nfs/dbraw/zinc/16/64/10/249166410.db2.gz IVZXMAVFOBMSIF-UPHRSURJSA-N 2 2 288.410 3.303 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000516514578 249235589 /nfs/dbraw/zinc/23/55/89/249235589.db2.gz ZTGIXZSVRMCREE-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000516514578 249235591 /nfs/dbraw/zinc/23/55/91/249235591.db2.gz ZTGIXZSVRMCREE-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000251334375 377580398 /nfs/dbraw/zinc/58/03/98/377580398.db2.gz OZMKKYGKSPPTPC-IAQYHMDHSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000251334375 377580401 /nfs/dbraw/zinc/58/04/01/377580401.db2.gz OZMKKYGKSPPTPC-IAQYHMDHSA-N 2 2 270.367 3.331 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000179957537 542204543 /nfs/dbraw/zinc/20/45/43/542204543.db2.gz LYBKQKCQMIMXFM-CQSZACIVSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000180019841 542204641 /nfs/dbraw/zinc/20/46/41/542204641.db2.gz XUCCGXXGVXZNSZ-AWEZNQCLSA-N 2 2 298.434 3.165 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000574146943 377625884 /nfs/dbraw/zinc/62/58/84/377625884.db2.gz UWHYPBLHRAPFKJ-HNNXBMFYSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000574146943 377625897 /nfs/dbraw/zinc/62/58/97/377625897.db2.gz UWHYPBLHRAPFKJ-HNNXBMFYSA-N 2 2 252.446 3.133 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574691764 377694143 /nfs/dbraw/zinc/69/41/43/377694143.db2.gz PRVOIMSOTXPPGI-WYIDIVSCSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574691764 377694152 /nfs/dbraw/zinc/69/41/52/377694152.db2.gz PRVOIMSOTXPPGI-WYIDIVSCSA-N 2 2 288.410 3.445 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000342661917 377718074 /nfs/dbraw/zinc/71/80/74/377718074.db2.gz HMDAYNCOLNGFQT-WBAXXEDZSA-N 2 2 299.418 3.064 20 0 CGADLP CCC1CC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000342676337 377728627 /nfs/dbraw/zinc/72/86/27/377728627.db2.gz ILOIQQAZONIUFX-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccc(F)cc1 ZINC000255277912 377745872 /nfs/dbraw/zinc/74/58/72/377745872.db2.gz XXJTXFXVLLLYLG-GUDHTMSVSA-N 2 2 288.410 3.398 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccc(F)cc1 ZINC000255277912 377745879 /nfs/dbraw/zinc/74/58/79/377745879.db2.gz XXJTXFXVLLLYLG-GUDHTMSVSA-N 2 2 288.410 3.398 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\c1ccc(F)cc1 ZINC000255277912 377745885 /nfs/dbraw/zinc/74/58/85/377745885.db2.gz XXJTXFXVLLLYLG-GUDHTMSVSA-N 2 2 288.410 3.398 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\c1ccc(F)cc1 ZINC000255277912 377745891 /nfs/dbraw/zinc/74/58/91/377745891.db2.gz XXJTXFXVLLLYLG-GUDHTMSVSA-N 2 2 288.410 3.398 20 0 CGADLP CC[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000575162720 377755737 /nfs/dbraw/zinc/75/57/37/377755737.db2.gz HRLYYZICVWXQGU-GFCCVEGCSA-N 2 2 288.357 3.350 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000575162720 377755740 /nfs/dbraw/zinc/75/57/40/377755740.db2.gz HRLYYZICVWXQGU-GFCCVEGCSA-N 2 2 288.357 3.350 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]12 ZINC000261571487 377817612 /nfs/dbraw/zinc/81/76/12/377817612.db2.gz LCGNRTXJNJPLIE-SUZMYJTESA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]12 ZINC000261571487 377817617 /nfs/dbraw/zinc/81/76/17/377817617.db2.gz LCGNRTXJNJPLIE-SUZMYJTESA-N 2 2 285.218 3.163 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1occc1C ZINC000342848681 377834823 /nfs/dbraw/zinc/83/48/23/377834823.db2.gz JBYOFCOOFRQSJK-UHFFFAOYSA-N 2 2 252.402 3.190 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261663804 377836578 /nfs/dbraw/zinc/83/65/78/377836578.db2.gz HCPDJOTYMNWASK-DLBZAZTESA-N 2 2 286.806 3.267 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261663804 377836583 /nfs/dbraw/zinc/83/65/83/377836583.db2.gz HCPDJOTYMNWASK-DLBZAZTESA-N 2 2 286.806 3.267 20 0 CGADLP CC[C@H]1CCCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342936987 377864352 /nfs/dbraw/zinc/86/43/52/377864352.db2.gz FOHCCUUWTJSGRO-AWEZNQCLSA-N 2 2 257.381 3.489 20 0 CGADLP CC[C@H]1CCCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342936987 377864357 /nfs/dbraw/zinc/86/43/57/377864357.db2.gz FOHCCUUWTJSGRO-AWEZNQCLSA-N 2 2 257.381 3.489 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000262042251 377882192 /nfs/dbraw/zinc/88/21/92/377882192.db2.gz PIGASVAPDRYPFJ-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000262042251 377882199 /nfs/dbraw/zinc/88/21/99/377882199.db2.gz PIGASVAPDRYPFJ-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H](C)C1 ZINC000342913693 377856515 /nfs/dbraw/zinc/85/65/15/377856515.db2.gz VFGRVMJVRXDGOH-KBPBESRZSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H](C)C1 ZINC000342913693 377856523 /nfs/dbraw/zinc/85/65/23/377856523.db2.gz VFGRVMJVRXDGOH-KBPBESRZSA-N 2 2 257.381 3.202 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000343456015 377985424 /nfs/dbraw/zinc/98/54/24/377985424.db2.gz CUDJWPOQZQZKSR-HEHGZKQESA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000343456015 377985434 /nfs/dbraw/zinc/98/54/34/377985434.db2.gz CUDJWPOQZQZKSR-HEHGZKQESA-N 2 2 278.465 3.399 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759966 377989206 /nfs/dbraw/zinc/98/92/06/377989206.db2.gz YIDGHFNYNLRLRR-YPMHNXCESA-N 2 2 279.453 3.112 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759966 377989213 /nfs/dbraw/zinc/98/92/13/377989213.db2.gz YIDGHFNYNLRLRR-YPMHNXCESA-N 2 2 279.453 3.112 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)[nH]1 ZINC000343601517 378034941 /nfs/dbraw/zinc/03/49/41/378034941.db2.gz GRHZOQGPWSBLNO-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000268800149 378113454 /nfs/dbraw/zinc/11/34/54/378113454.db2.gz HECMYIMLTLCWPT-GXTWGEPZSA-N 2 2 273.380 3.168 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(COC)o1 ZINC000268801239 378115400 /nfs/dbraw/zinc/11/54/00/378115400.db2.gz PZOUGNOZNTXGRF-UHFFFAOYSA-N 2 2 282.428 3.028 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000346219149 217842821 /nfs/dbraw/zinc/84/28/21/217842821.db2.gz RCSDWGIGERZKSS-ZFWWWQNUSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)Cn1cc[nH+]c1 ZINC000343813977 378101054 /nfs/dbraw/zinc/10/10/54/378101054.db2.gz RHPCWQKRVAYXCP-DLBZAZTESA-N 2 2 285.435 3.378 20 0 CGADLP C[NH+](C)C1CCN(c2ccc(NCC(C)(C)C)[nH+]c2)CC1 ZINC000269122022 378189384 /nfs/dbraw/zinc/18/93/84/378189384.db2.gz GDKWVVUYPJHUOH-UHFFFAOYSA-N 2 2 290.455 3.070 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000344630279 378176380 /nfs/dbraw/zinc/17/63/80/378176380.db2.gz MBNJPPXAWGWOLE-CWRNSKLLSA-N 2 2 288.435 3.219 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000344630279 378176382 /nfs/dbraw/zinc/17/63/82/378176382.db2.gz MBNJPPXAWGWOLE-CWRNSKLLSA-N 2 2 288.435 3.219 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269828182 378269696 /nfs/dbraw/zinc/26/96/96/378269696.db2.gz KRCJLNLCBNVPJB-OAHLLOKOSA-N 2 2 280.362 3.026 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000269970727 378288759 /nfs/dbraw/zinc/28/87/59/378288759.db2.gz ODFQFUMLHKJWGH-YOEHRIQHSA-N 2 2 269.392 3.247 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785816 378258182 /nfs/dbraw/zinc/25/81/82/378258182.db2.gz PENTXQVBFDUVIB-XABWRGDLSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785816 378258187 /nfs/dbraw/zinc/25/81/87/378258187.db2.gz PENTXQVBFDUVIB-XABWRGDLSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000582312384 378303426 /nfs/dbraw/zinc/30/34/26/378303426.db2.gz WHTQRLZASBXWSK-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@H+]1CCCC[C@H]1C ZINC000582312384 378303432 /nfs/dbraw/zinc/30/34/32/378303432.db2.gz WHTQRLZASBXWSK-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000583641439 378337265 /nfs/dbraw/zinc/33/72/65/378337265.db2.gz PWXWHTHENLXDRF-UHFFFAOYSA-N 2 2 288.439 3.302 20 0 CGADLP Fc1ccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)cc1F ZINC000270830841 378402978 /nfs/dbraw/zinc/40/29/78/378402978.db2.gz CSEZIKHTRTZOJT-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000270840543 378404421 /nfs/dbraw/zinc/40/44/21/378404421.db2.gz FSQPHZIXJUHKHU-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000270840543 378404426 /nfs/dbraw/zinc/40/44/26/378404426.db2.gz FSQPHZIXJUHKHU-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP Clc1ccc(C2([NH2+]CCn3cc[nH+]c3)CC2)cc1Cl ZINC000270884823 378410648 /nfs/dbraw/zinc/41/06/48/378410648.db2.gz OBKAKRJOKPFZRK-UHFFFAOYSA-N 2 2 296.201 3.469 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000584090516 378373101 /nfs/dbraw/zinc/37/31/01/378373101.db2.gz BHTPNHQCQKWDAK-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000584090516 378373103 /nfs/dbraw/zinc/37/31/03/378373103.db2.gz BHTPNHQCQKWDAK-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000270688371 378388991 /nfs/dbraw/zinc/38/89/91/378388991.db2.gz WYQCKUBRJYBSPG-GFCCVEGCSA-N 2 2 261.344 3.024 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000270688371 378388994 /nfs/dbraw/zinc/38/89/94/378388994.db2.gz WYQCKUBRJYBSPG-GFCCVEGCSA-N 2 2 261.344 3.024 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346091660 378462386 /nfs/dbraw/zinc/46/23/86/378462386.db2.gz MIZFARPLFJWNLN-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346091660 378462391 /nfs/dbraw/zinc/46/23/91/378462391.db2.gz MIZFARPLFJWNLN-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP C[N@H+](CCC(F)(F)F)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142256 378477663 /nfs/dbraw/zinc/47/76/63/378477663.db2.gz BUXMQFZWVHMANV-UHFFFAOYSA-N 2 2 289.326 3.318 20 0 CGADLP C[N@@H+](CCC(F)(F)F)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142256 378477670 /nfs/dbraw/zinc/47/76/70/378477670.db2.gz BUXMQFZWVHMANV-UHFFFAOYSA-N 2 2 289.326 3.318 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346164297 378486597 /nfs/dbraw/zinc/48/65/97/378486597.db2.gz IGQNYBMOQPMKFN-BETUJISGSA-N 2 2 293.480 3.282 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346164297 378486606 /nfs/dbraw/zinc/48/66/06/378486606.db2.gz IGQNYBMOQPMKFN-BETUJISGSA-N 2 2 293.480 3.282 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346164297 378486610 /nfs/dbraw/zinc/48/66/10/378486610.db2.gz IGQNYBMOQPMKFN-BETUJISGSA-N 2 2 293.480 3.282 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)C1CCC(C(C)(C)C)CC1 ZINC000346312151 378540618 /nfs/dbraw/zinc/54/06/18/378540618.db2.gz OOZVUKUFLVUDAS-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)C1CCC(C(C)(C)C)CC1 ZINC000346312151 378540623 /nfs/dbraw/zinc/54/06/23/378540623.db2.gz OOZVUKUFLVUDAS-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc2cccnc12 ZINC000346326973 378545397 /nfs/dbraw/zinc/54/53/97/378545397.db2.gz OOOOAWZYVWPPMU-SJLPKXTDSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc2cccnc12 ZINC000346326973 378545402 /nfs/dbraw/zinc/54/54/02/378545402.db2.gz OOOOAWZYVWPPMU-SJLPKXTDSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc2cccnc12 ZINC000346326973 378545406 /nfs/dbraw/zinc/54/54/06/378545406.db2.gz OOOOAWZYVWPPMU-SJLPKXTDSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc2cccnc12 ZINC000346326973 378545411 /nfs/dbraw/zinc/54/54/11/378545411.db2.gz OOOOAWZYVWPPMU-SJLPKXTDSA-N 2 2 295.430 3.069 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000272317217 378610665 /nfs/dbraw/zinc/61/06/65/378610665.db2.gz STCCQELPWFVRTD-LJQANCHMSA-N 2 2 297.446 3.491 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000272317217 378610669 /nfs/dbraw/zinc/61/06/69/378610669.db2.gz STCCQELPWFVRTD-LJQANCHMSA-N 2 2 297.446 3.491 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000637889815 378618096 /nfs/dbraw/zinc/61/80/96/378618096.db2.gz RZRNWAGCGWUXBS-UHFFFAOYSA-N 2 2 297.393 3.324 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000637889815 378618098 /nfs/dbraw/zinc/61/80/98/378618098.db2.gz RZRNWAGCGWUXBS-UHFFFAOYSA-N 2 2 297.393 3.324 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346662324 378666086 /nfs/dbraw/zinc/66/60/86/378666086.db2.gz WQTLRNPIAKLWJD-CYBMUJFWSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346662324 378666088 /nfs/dbraw/zinc/66/60/88/378666088.db2.gz WQTLRNPIAKLWJD-CYBMUJFWSA-N 2 2 269.458 3.072 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697352 378680691 /nfs/dbraw/zinc/68/06/91/378680691.db2.gz CHZPPIKAZIRVNG-JTDSTZFVSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697352 378680700 /nfs/dbraw/zinc/68/07/00/378680700.db2.gz CHZPPIKAZIRVNG-JTDSTZFVSA-N 2 2 298.430 3.463 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)CCC2 ZINC000346800609 378688719 /nfs/dbraw/zinc/68/87/19/378688719.db2.gz RYXMPXLDRVIEEK-MORSLUCNSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)CCC2 ZINC000346800609 378688724 /nfs/dbraw/zinc/68/87/24/378688724.db2.gz RYXMPXLDRVIEEK-MORSLUCNSA-N 2 2 288.435 3.145 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000638344818 378773173 /nfs/dbraw/zinc/77/31/73/378773173.db2.gz UKZDBYXGGMTQDR-MDZRGWNJSA-N 2 2 295.430 3.457 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000348119979 378800789 /nfs/dbraw/zinc/80/07/89/378800789.db2.gz GYPBNXRGIUMNDV-DJIMGWMZSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348119979 378800792 /nfs/dbraw/zinc/80/07/92/378800792.db2.gz GYPBNXRGIUMNDV-DJIMGWMZSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000348134498 378806689 /nfs/dbraw/zinc/80/66/89/378806689.db2.gz JCKFYMGSJUEQNH-SFHVURJKSA-N 2 2 281.403 3.459 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348139824 378809979 /nfs/dbraw/zinc/80/99/79/378809979.db2.gz JWRNJNMBAWOMRN-IBGZPJMESA-N 2 2 298.430 3.208 20 0 CGADLP CC(C)c1nc(N(C)CC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000346950712 218067309 /nfs/dbraw/zinc/06/73/09/218067309.db2.gz UAPZMDDGAJIWFK-UHFFFAOYSA-N 2 2 290.455 3.301 20 0 CGADLP CC(C)c1nc(N(C)CC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000346950712 218067310 /nfs/dbraw/zinc/06/73/10/218067310.db2.gz UAPZMDDGAJIWFK-UHFFFAOYSA-N 2 2 290.455 3.301 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638836549 378930062 /nfs/dbraw/zinc/93/00/62/378930062.db2.gz IAGYJXAEUMSYLO-NFAWXSAZSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638836549 378930065 /nfs/dbraw/zinc/93/00/65/378930065.db2.gz IAGYJXAEUMSYLO-NFAWXSAZSA-N 2 2 282.378 3.140 20 0 CGADLP CCC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000347023891 218097420 /nfs/dbraw/zinc/09/74/20/218097420.db2.gz QKPNWYHYEUQJHN-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000347023891 218097422 /nfs/dbraw/zinc/09/74/22/218097422.db2.gz QKPNWYHYEUQJHN-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000347031869 218098921 /nfs/dbraw/zinc/09/89/21/218098921.db2.gz AUTYWIAIFKAXNR-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000347031869 218098922 /nfs/dbraw/zinc/09/89/22/218098922.db2.gz AUTYWIAIFKAXNR-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917084 378952830 /nfs/dbraw/zinc/95/28/30/378952830.db2.gz ACLSDFYZJYDKGG-WJFTUGDTSA-N 2 2 284.447 3.206 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917084 378952833 /nfs/dbraw/zinc/95/28/33/378952833.db2.gz ACLSDFYZJYDKGG-WJFTUGDTSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917084 378952837 /nfs/dbraw/zinc/95/28/37/378952837.db2.gz ACLSDFYZJYDKGG-WJFTUGDTSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917084 378952843 /nfs/dbraw/zinc/95/28/43/378952843.db2.gz ACLSDFYZJYDKGG-WJFTUGDTSA-N 2 2 284.447 3.206 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(Br)o1 ZINC000276638077 378971398 /nfs/dbraw/zinc/97/13/98/378971398.db2.gz QENUTACCYHRUFE-UHFFFAOYSA-N 2 2 295.180 3.078 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C ZINC000347102418 218122051 /nfs/dbraw/zinc/12/20/51/218122051.db2.gz MEPYKFFBBZHANY-GOEBONIOSA-N 2 2 276.424 3.014 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C ZINC000347102418 218122052 /nfs/dbraw/zinc/12/20/52/218122052.db2.gz MEPYKFFBBZHANY-GOEBONIOSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC2CCC1CC2 ZINC000639070585 379001570 /nfs/dbraw/zinc/00/15/70/379001570.db2.gz ATRQAWMUZKCKSR-WVTZPBJPSA-N 2 2 273.424 3.002 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(F)c1 ZINC000639102736 379027276 /nfs/dbraw/zinc/02/72/76/379027276.db2.gz DZCNUADAWVLDFL-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(F)c1 ZINC000639102736 379027286 /nfs/dbraw/zinc/02/72/86/379027286.db2.gz DZCNUADAWVLDFL-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277068563 379057895 /nfs/dbraw/zinc/05/78/95/379057895.db2.gz DPCKNNYJSYJJGZ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277068563 379057907 /nfs/dbraw/zinc/05/79/07/379057907.db2.gz DPCKNNYJSYJJGZ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639132415 379058875 /nfs/dbraw/zinc/05/88/75/379058875.db2.gz BALGDPZZDRJMGU-CFVMTHIKSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639132415 379058882 /nfs/dbraw/zinc/05/88/82/379058882.db2.gz BALGDPZZDRJMGU-CFVMTHIKSA-N 2 2 286.410 3.417 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100483 379067355 /nfs/dbraw/zinc/06/73/55/379067355.db2.gz WPSVEUCZMKXQAG-YPMHNXCESA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100483 379067360 /nfs/dbraw/zinc/06/73/60/379067360.db2.gz WPSVEUCZMKXQAG-YPMHNXCESA-N 2 2 299.340 3.021 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639176625 379095729 /nfs/dbraw/zinc/09/57/29/379095729.db2.gz IKGFKKFSYHRFCG-ZHALLVOQSA-N 2 2 295.430 3.403 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639176625 379095738 /nfs/dbraw/zinc/09/57/38/379095738.db2.gz IKGFKKFSYHRFCG-ZHALLVOQSA-N 2 2 295.430 3.403 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000639199467 379123742 /nfs/dbraw/zinc/12/37/42/379123742.db2.gz XEMQZBKDBXKCHF-GUYCJALGSA-N 2 2 298.434 3.384 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000639199467 379123750 /nfs/dbraw/zinc/12/37/50/379123750.db2.gz XEMQZBKDBXKCHF-GUYCJALGSA-N 2 2 298.434 3.384 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000277301038 379125297 /nfs/dbraw/zinc/12/52/97/379125297.db2.gz UFGIFOYBGKBAJB-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000277301038 379125305 /nfs/dbraw/zinc/12/53/05/379125305.db2.gz UFGIFOYBGKBAJB-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]CCC[C@@H]3CCO3)cc2)c1C ZINC000639199474 379127298 /nfs/dbraw/zinc/12/72/98/379127298.db2.gz XIBORILAJVAQLK-QGZVFWFLSA-N 2 2 285.391 3.470 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349196940 379186317 /nfs/dbraw/zinc/18/63/17/379186317.db2.gz VGYYLJUQVYCXCO-KFWWJZLASA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349196940 379186321 /nfs/dbraw/zinc/18/63/21/379186321.db2.gz VGYYLJUQVYCXCO-KFWWJZLASA-N 2 2 261.413 3.036 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000349351527 379243136 /nfs/dbraw/zinc/24/31/36/379243136.db2.gz QINMQXYKBVSUKE-UHFFFAOYSA-N 2 2 292.452 3.294 20 0 CGADLP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000639375594 379331950 /nfs/dbraw/zinc/33/19/50/379331950.db2.gz XTTHWSXLVUUGHI-UHFFFAOYSA-N 2 2 276.424 3.292 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000639379075 379337590 /nfs/dbraw/zinc/33/75/90/379337590.db2.gz MVEDLMFLIUMDMU-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000639459050 379407071 /nfs/dbraw/zinc/40/70/71/379407071.db2.gz DIRIBICUTVAVNV-HNNXBMFYSA-N 2 2 262.397 3.008 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000639459050 379407081 /nfs/dbraw/zinc/40/70/81/379407081.db2.gz DIRIBICUTVAVNV-HNNXBMFYSA-N 2 2 262.397 3.008 20 0 CGADLP C[C@@H](CC1CCOCC1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000349964181 379460585 /nfs/dbraw/zinc/46/05/85/379460585.db2.gz DKJQJTYJOXWLHW-AWEZNQCLSA-N 2 2 291.439 3.042 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H](CO)c2ccccc2C)c(C)[nH+]1 ZINC000639597510 379500693 /nfs/dbraw/zinc/50/06/93/379500693.db2.gz KTLOPQLPSSQUBT-GOSISDBHSA-N 2 2 284.403 3.138 20 0 CGADLP COCC[C@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1ccco1 ZINC000639579937 379489780 /nfs/dbraw/zinc/48/97/80/379489780.db2.gz MODMMGHEIYJOMW-INIZCTEOSA-N 2 2 288.391 3.467 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c(C)[nH+]1 ZINC000639641838 379521978 /nfs/dbraw/zinc/52/19/78/379521978.db2.gz LNJXMILAKZTFMM-UHFFFAOYSA-N 2 2 296.418 3.030 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c(C)[nH+]1 ZINC000639641838 379521984 /nfs/dbraw/zinc/52/19/84/379521984.db2.gz LNJXMILAKZTFMM-UHFFFAOYSA-N 2 2 296.418 3.030 20 0 CGADLP Cc1ccncc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000280052355 379591816 /nfs/dbraw/zinc/59/18/16/379591816.db2.gz XRFCSGCAYQDCGJ-CRAIPNDOSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1cc(C)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000376728024 379596252 /nfs/dbraw/zinc/59/62/52/379596252.db2.gz IBTLUCKRGPSTTF-UHFFFAOYSA-N 2 2 283.419 3.434 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000640015469 379687680 /nfs/dbraw/zinc/68/76/80/379687680.db2.gz JOGWVMHEQGOHBE-UHFFFAOYSA-N 2 2 296.405 3.314 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377398706 379670895 /nfs/dbraw/zinc/67/08/95/379670895.db2.gz JWKMPWSHPYDFFR-KKUMJFAQSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377398706 379670901 /nfs/dbraw/zinc/67/09/01/379670901.db2.gz JWKMPWSHPYDFFR-KKUMJFAQSA-N 2 2 275.440 3.462 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982340 379672299 /nfs/dbraw/zinc/67/22/99/379672299.db2.gz MQENCKMWLFMHLZ-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP CCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280317969 379677179 /nfs/dbraw/zinc/67/71/79/379677179.db2.gz XUHXJYGVWJHSSM-UHFFFAOYSA-N 2 2 257.381 3.392 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000280658749 379758353 /nfs/dbraw/zinc/75/83/53/379758353.db2.gz OXFBXZYCZNCSFB-WNOSKKOXSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@H+]1C1CC1 ZINC000280658749 379758362 /nfs/dbraw/zinc/75/83/62/379758362.db2.gz OXFBXZYCZNCSFB-WNOSKKOXSA-N 2 2 288.410 3.287 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000352495098 379835868 /nfs/dbraw/zinc/83/58/68/379835868.db2.gz IOECCCWIKREULH-CQSZACIVSA-N 2 2 281.469 3.189 20 0 CGADLP CCCCc1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000352495098 379835876 /nfs/dbraw/zinc/83/58/76/379835876.db2.gz IOECCCWIKREULH-CQSZACIVSA-N 2 2 281.469 3.189 20 0 CGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000352820479 379980608 /nfs/dbraw/zinc/98/06/08/379980608.db2.gz CZBPOUQRTADFRD-KIWPFMIBSA-N 2 2 298.377 3.231 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CSC2(C)C)n1-c1ccccc1 ZINC000282895403 380009381 /nfs/dbraw/zinc/00/93/81/380009381.db2.gz TYXZQVIOAZGVFW-OAHLLOKOSA-N 2 2 287.432 3.164 20 0 CGADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641491787 380017529 /nfs/dbraw/zinc/01/75/29/380017529.db2.gz QDYQHHGUORQHIX-GFCCVEGCSA-N 2 2 291.395 3.165 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000641801986 380111317 /nfs/dbraw/zinc/11/13/17/380111317.db2.gz XIEJVRFZTYLHOQ-ZIAGYGMSSA-N 2 2 287.432 3.026 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000353258083 380192802 /nfs/dbraw/zinc/19/28/02/380192802.db2.gz ZMHRSGCFYGVQJD-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000353258083 380192805 /nfs/dbraw/zinc/19/28/05/380192805.db2.gz ZMHRSGCFYGVQJD-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000353985443 380264864 /nfs/dbraw/zinc/26/48/64/380264864.db2.gz CGMNPDRRIKXIRV-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000353985443 380264870 /nfs/dbraw/zinc/26/48/70/380264870.db2.gz CGMNPDRRIKXIRV-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000414493755 380268458 /nfs/dbraw/zinc/26/84/58/380268458.db2.gz JEHUWTSMPXVAQZ-MOPGFXCFSA-N 2 2 296.414 3.225 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc(F)c2)c[nH+]1 ZINC000353925124 380237659 /nfs/dbraw/zinc/23/76/59/380237659.db2.gz DJYFRYLBADTBLE-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353927441 380239400 /nfs/dbraw/zinc/23/94/00/380239400.db2.gz IZZDLIQAJHQJCT-CABCVRRESA-N 2 2 276.399 3.105 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353927441 380239402 /nfs/dbraw/zinc/23/94/02/380239402.db2.gz IZZDLIQAJHQJCT-CABCVRRESA-N 2 2 276.399 3.105 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)s1 ZINC000643496619 380319422 /nfs/dbraw/zinc/31/94/22/380319422.db2.gz LPNHMFVMAAAMAR-JTQLQIEISA-N 2 2 267.442 3.072 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000643502061 380324413 /nfs/dbraw/zinc/32/44/13/380324413.db2.gz WUEQKEJYUVRMOW-CZUORRHYSA-N 2 2 282.378 3.394 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643501720 380324919 /nfs/dbraw/zinc/32/49/19/380324919.db2.gz OOTMJCCBGLJZBO-SJORKVTESA-N 2 2 258.409 3.178 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000354101118 380325412 /nfs/dbraw/zinc/32/54/12/380325412.db2.gz QUSXGCRMSYOKDB-CYBMUJFWSA-N 2 2 282.815 3.097 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000354101118 380325419 /nfs/dbraw/zinc/32/54/19/380325419.db2.gz QUSXGCRMSYOKDB-CYBMUJFWSA-N 2 2 282.815 3.097 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354101118 380325427 /nfs/dbraw/zinc/32/54/27/380325427.db2.gz QUSXGCRMSYOKDB-CYBMUJFWSA-N 2 2 282.815 3.097 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000354101118 380325432 /nfs/dbraw/zinc/32/54/32/380325432.db2.gz QUSXGCRMSYOKDB-CYBMUJFWSA-N 2 2 282.815 3.097 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1nccc2ccccc21 ZINC000643502444 380326202 /nfs/dbraw/zinc/32/62/02/380326202.db2.gz GVRBODXTKOWPFD-HIFRSBDPSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000643506832 380328497 /nfs/dbraw/zinc/32/84/97/380328497.db2.gz JUXANQUDFAAFGA-CQSZACIVSA-N 2 2 281.403 3.151 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643506500 380328802 /nfs/dbraw/zinc/32/88/02/380328802.db2.gz YZJLYQPPAFPYTK-CYBMUJFWSA-N 2 2 282.840 3.219 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000643507202 380329763 /nfs/dbraw/zinc/32/97/63/380329763.db2.gz VSISLWZOFLZCSA-QGZVFWFLSA-N 2 2 272.392 3.472 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000643344773 380285047 /nfs/dbraw/zinc/28/50/47/380285047.db2.gz MYPXJLXGEIXYDN-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000643344773 380285050 /nfs/dbraw/zinc/28/50/50/380285050.db2.gz MYPXJLXGEIXYDN-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643514521 380336285 /nfs/dbraw/zinc/33/62/85/380336285.db2.gz LHZGSJLLEULQBA-XHDPSFHLSA-N 2 2 268.351 3.059 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000643515249 380336377 /nfs/dbraw/zinc/33/63/77/380336377.db2.gz RKKCOZCZBNBPHK-JTQLQIEISA-N 2 2 258.768 3.129 20 0 CGADLP CC(C)OCC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414552086 380316159 /nfs/dbraw/zinc/31/61/59/380316159.db2.gz PLBKRPJLHZTHMR-UHFFFAOYSA-N 2 2 293.436 3.227 20 0 CGADLP Cc1ccc(OC2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414693036 380377298 /nfs/dbraw/zinc/37/72/98/380377298.db2.gz BQNYVPMJFJBANP-MRXNPFEDSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1cccc(NC2CC[NH+](CC[NH2+]C(C)(C)C)CC2)c1 ZINC000414709426 380383697 /nfs/dbraw/zinc/38/36/97/380383697.db2.gz RCXGQJWXBPKTFL-UHFFFAOYSA-N 2 2 289.467 3.259 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000643527164 380343468 /nfs/dbraw/zinc/34/34/68/380343468.db2.gz KGGAKEMTLIHXSS-MLGOLLRUSA-N 2 2 274.795 3.366 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cs2)cs1 ZINC000643529204 380346763 /nfs/dbraw/zinc/34/67/63/380346763.db2.gz WXZOAELPCYFGKT-RKDXNWHRSA-N 2 2 281.450 3.178 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537335 380354040 /nfs/dbraw/zinc/35/40/40/380354040.db2.gz FKEYRUQHVWSDAW-AVGNSLFASA-N 2 2 270.417 3.125 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538184 380355394 /nfs/dbraw/zinc/35/53/94/380355394.db2.gz APIHKWBWJVLFQP-GVARAGBVSA-N 2 2 284.806 3.122 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCCC2)cc1 ZINC000643537996 380355731 /nfs/dbraw/zinc/35/57/31/380355731.db2.gz WJXCEWNVXVBRJT-ULQDDVLXSA-N 2 2 294.389 3.347 20 0 CGADLP CCOC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCC1 ZINC000354185634 380357170 /nfs/dbraw/zinc/35/71/70/380357170.db2.gz REYJJMWJCAYYQH-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP Cc1cc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000414667489 380360454 /nfs/dbraw/zinc/36/04/54/380360454.db2.gz XXBMVTGPJSBCAN-AWEZNQCLSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000414667489 380360457 /nfs/dbraw/zinc/36/04/57/380360457.db2.gz XXBMVTGPJSBCAN-AWEZNQCLSA-N 2 2 298.352 3.340 20 0 CGADLP CCCCCOc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OC ZINC000414668075 380360532 /nfs/dbraw/zinc/36/05/32/380360532.db2.gz YOHUABRVSGZXQY-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCCOc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OC ZINC000414668075 380360537 /nfs/dbraw/zinc/36/05/37/380360537.db2.gz YOHUABRVSGZXQY-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP C[NH2+]CC[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000414820998 380432334 /nfs/dbraw/zinc/43/23/34/380432334.db2.gz DMTDMRCZYGEGLO-YVMONPNESA-N 2 2 296.414 3.088 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000414830610 380439542 /nfs/dbraw/zinc/43/95/42/380439542.db2.gz BCRXIVGVYOAINF-CQSZACIVSA-N 2 2 295.496 3.438 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000414834397 380442072 /nfs/dbraw/zinc/44/20/72/380442072.db2.gz QQURUVBQSIGRDZ-IRXDYDNUSA-N 2 2 286.806 3.097 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414839332 380446460 /nfs/dbraw/zinc/44/64/60/380446460.db2.gz WADVXSUBVSRCFQ-DNVCBOLYSA-N 2 2 298.430 3.306 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414840997 380448213 /nfs/dbraw/zinc/44/82/13/380448213.db2.gz XMSNNCNJUIINTA-YPMHNXCESA-N 2 2 274.330 3.397 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2Br)CCCCC1 ZINC000414848400 380451602 /nfs/dbraw/zinc/45/16/02/380451602.db2.gz VXLPFJGOLTUHCZ-UHFFFAOYSA-N 2 2 297.240 3.200 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C)c[nH+]1 ZINC000354346483 380408081 /nfs/dbraw/zinc/40/80/81/380408081.db2.gz HWBZWZNZBOCWGU-CQSZACIVSA-N 2 2 292.423 3.033 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414796046 380411124 /nfs/dbraw/zinc/41/11/24/380411124.db2.gz BOJJFGOMCUYDGK-UHFFFAOYSA-N 2 2 269.458 3.048 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414799481 380412377 /nfs/dbraw/zinc/41/23/77/380412377.db2.gz DSJKGDPNLAZANQ-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414799820 380413224 /nfs/dbraw/zinc/41/32/24/380413224.db2.gz HITCOMYIWBPBPO-UHFFFAOYSA-N 2 2 276.424 3.083 20 0 CGADLP Cc1ccc(CCCNc2ccc([C@H](C)[NH3+])cc2)c[nH+]1 ZINC000414798131 380413371 /nfs/dbraw/zinc/41/33/71/380413371.db2.gz FABFVNCAKSYTIB-AWEZNQCLSA-N 2 2 269.392 3.454 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000354585374 380495491 /nfs/dbraw/zinc/49/54/91/380495491.db2.gz XYBNRPPEPVQSSQ-KGLIPLIRSA-N 2 2 293.480 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000354585374 380495497 /nfs/dbraw/zinc/49/54/97/380495497.db2.gz XYBNRPPEPVQSSQ-KGLIPLIRSA-N 2 2 293.480 3.215 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c[nH+]1 ZINC000354588413 380495699 /nfs/dbraw/zinc/49/56/99/380495699.db2.gz WNQNBAOGKNQVGL-DLBZAZTESA-N 2 2 290.451 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c[nH+]1 ZINC000354588413 380495705 /nfs/dbraw/zinc/49/57/05/380495705.db2.gz WNQNBAOGKNQVGL-DLBZAZTESA-N 2 2 290.451 3.052 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH2+]1 ZINC000414948198 380503149 /nfs/dbraw/zinc/50/31/49/380503149.db2.gz LTJHLJIAHOZXGT-GUYCJALGSA-N 2 2 299.393 3.118 20 0 CGADLP Cc1ccc(CCC[N@H+](CCO)CC2CCCCC2)c[nH+]1 ZINC000354621565 380505398 /nfs/dbraw/zinc/50/53/98/380505398.db2.gz AAQSCLOMHBVLJG-UHFFFAOYSA-N 2 2 290.451 3.197 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCO)CC2CCCCC2)c[nH+]1 ZINC000354621565 380505403 /nfs/dbraw/zinc/50/54/03/380505403.db2.gz AAQSCLOMHBVLJG-UHFFFAOYSA-N 2 2 290.451 3.197 20 0 CGADLP COC(C)(C)C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354499040 380460092 /nfs/dbraw/zinc/46/00/92/380460092.db2.gz KIOUQVZTEKBLOD-CQSZACIVSA-N 2 2 264.413 3.116 20 0 CGADLP C[NH2+]Cc1ccccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000414869888 380467068 /nfs/dbraw/zinc/46/70/68/380467068.db2.gz QXVBGAXQSBENHB-UHFFFAOYSA-N 2 2 296.418 3.013 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3)cc2F)CCC1 ZINC000414880369 380471826 /nfs/dbraw/zinc/47/18/26/380471826.db2.gz QNPAYRQMKSKUIQ-UHFFFAOYSA-N 2 2 284.378 3.464 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@H](C)CC2)c[nH+]1 ZINC000355124682 380587358 /nfs/dbraw/zinc/58/73/58/380587358.db2.gz OZSXRSMAUMICRB-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@H](C)CC2)c[nH+]1 ZINC000355124682 380587365 /nfs/dbraw/zinc/58/73/65/380587365.db2.gz OZSXRSMAUMICRB-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417308104 380589647 /nfs/dbraw/zinc/58/96/47/380589647.db2.gz FESDNLGSJUEXJH-YIYPIFLZSA-N 2 2 275.421 3.115 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342870 380600373 /nfs/dbraw/zinc/60/03/73/380600373.db2.gz NLGMHNPXMMLEEC-ZQNQSHIBSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342870 380600385 /nfs/dbraw/zinc/60/03/85/380600385.db2.gz NLGMHNPXMMLEEC-ZQNQSHIBSA-N 2 2 278.465 3.312 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000417359551 380607559 /nfs/dbraw/zinc/60/75/59/380607559.db2.gz WDXPVWKIVUTNOL-SJORKVTESA-N 2 2 272.436 3.082 20 0 CGADLP CCSCC[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000355755230 380769869 /nfs/dbraw/zinc/76/98/69/380769869.db2.gz OBQPIJWCBVLGRA-CQSZACIVSA-N 2 2 280.481 3.459 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419332003 380805776 /nfs/dbraw/zinc/80/57/76/380805776.db2.gz JSNGPENJUUWMPW-HUUCEWRRSA-N 2 2 263.429 3.109 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419332003 380805781 /nfs/dbraw/zinc/80/57/81/380805781.db2.gz JSNGPENJUUWMPW-HUUCEWRRSA-N 2 2 263.429 3.109 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC12CCSCC2 ZINC000421380181 380920372 /nfs/dbraw/zinc/92/03/72/380920372.db2.gz LWRVSKVMMOUGNE-MRXNPFEDSA-N 2 2 290.476 3.446 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)s1 ZINC000421382102 380923428 /nfs/dbraw/zinc/92/34/28/380923428.db2.gz BHWHFULJPYBGHQ-CQSZACIVSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C3CCCC3)C2)s1 ZINC000421382102 380923438 /nfs/dbraw/zinc/92/34/38/380923438.db2.gz BHWHFULJPYBGHQ-CQSZACIVSA-N 2 2 293.480 3.217 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000348310576 218566014 /nfs/dbraw/zinc/56/60/14/218566014.db2.gz HKTOPROIZQOCOX-UONOGXRCSA-N 2 2 281.469 3.133 20 0 CGADLP CSC1(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000290904383 295581913 /nfs/dbraw/zinc/58/19/13/295581913.db2.gz OGZQKIQWYVJPHM-OAHLLOKOSA-N 2 2 278.465 3.165 20 0 CGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781191 207064927 /nfs/dbraw/zinc/06/49/27/207064927.db2.gz JONNUTTXYXLBRI-CMPLNLGQSA-N 2 2 283.297 3.107 20 0 CGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781191 207064929 /nfs/dbraw/zinc/06/49/29/207064929.db2.gz JONNUTTXYXLBRI-CMPLNLGQSA-N 2 2 283.297 3.107 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000358114977 381291555 /nfs/dbraw/zinc/29/15/55/381291555.db2.gz UYQQIRSONXYMIH-RRQGHBQHSA-N 2 2 288.435 3.002 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000358114977 381291562 /nfs/dbraw/zinc/29/15/62/381291562.db2.gz UYQQIRSONXYMIH-RRQGHBQHSA-N 2 2 288.435 3.002 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000334862170 207206090 /nfs/dbraw/zinc/20/60/90/207206090.db2.gz IFLXHDGIGZNEFY-GXSJLCMTSA-N 2 2 273.207 3.224 20 0 CGADLP CCCOc1ccc(C(C)(C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000361549519 381796881 /nfs/dbraw/zinc/79/68/81/381796881.db2.gz AFFWZLVADTZDDG-UHFFFAOYSA-N 2 2 287.407 3.197 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361596696 381826782 /nfs/dbraw/zinc/82/67/82/381826782.db2.gz UMPUVDKCBLJRLA-STQMWFEESA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361596696 381826788 /nfs/dbraw/zinc/82/67/88/381826788.db2.gz UMPUVDKCBLJRLA-STQMWFEESA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2Cl)C1 ZINC000361571956 381812616 /nfs/dbraw/zinc/81/26/16/381812616.db2.gz PKEBXMQGKKEXFD-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2Cl)C1 ZINC000361571956 381812623 /nfs/dbraw/zinc/81/26/23/381812623.db2.gz PKEBXMQGKKEXFD-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361571956 381812626 /nfs/dbraw/zinc/81/26/26/381812626.db2.gz PKEBXMQGKKEXFD-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361571956 381812636 /nfs/dbraw/zinc/81/26/36/381812636.db2.gz PKEBXMQGKKEXFD-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)ccn1 ZINC000362310093 381939714 /nfs/dbraw/zinc/93/97/14/381939714.db2.gz PLKRKSKJEQSPEY-UHFFFAOYSA-N 2 2 299.462 3.216 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000235510285 542312147 /nfs/dbraw/zinc/31/21/47/542312147.db2.gz CUMRFLFSAKNBEN-VHSXEESVSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000235510546 542312452 /nfs/dbraw/zinc/31/24/52/542312452.db2.gz ZAQXJBCBPMFHDQ-NWDGAFQWSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000235524279 542312588 /nfs/dbraw/zinc/31/25/88/542312588.db2.gz RHUATDREXJJMLL-RYUDHWBXSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235523981 542312803 /nfs/dbraw/zinc/31/28/03/542312803.db2.gz BCHNJWWDSAUTKF-FZMZJTMJSA-N 2 2 252.789 3.133 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624665 382273464 /nfs/dbraw/zinc/27/34/64/382273464.db2.gz TZUNSYXWTGXQNF-NVXWUHKLSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn([C@@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624665 382273468 /nfs/dbraw/zinc/27/34/68/382273468.db2.gz TZUNSYXWTGXQNF-NVXWUHKLSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624664 382273935 /nfs/dbraw/zinc/27/39/35/382273935.db2.gz TZUNSYXWTGXQNF-DOTOQJQBSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn([C@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624664 382273943 /nfs/dbraw/zinc/27/39/43/382273943.db2.gz TZUNSYXWTGXQNF-DOTOQJQBSA-N 2 2 267.376 3.208 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000367757494 382357220 /nfs/dbraw/zinc/35/72/20/382357220.db2.gz USPHJGQZUJVJNO-HOCLYGCPSA-N 2 2 291.414 3.168 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000368098908 382365130 /nfs/dbraw/zinc/36/51/30/382365130.db2.gz CWVQNCUEZOFKPN-PXAZEXFGSA-N 2 2 281.403 3.279 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000368098908 382365136 /nfs/dbraw/zinc/36/51/36/382365136.db2.gz CWVQNCUEZOFKPN-PXAZEXFGSA-N 2 2 281.403 3.279 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@H](C3CC3)C1)CCCC2 ZINC000367438686 382348245 /nfs/dbraw/zinc/34/82/45/382348245.db2.gz OPSAGHONIDVGAB-LSDHHAIUSA-N 2 2 273.424 3.278 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370060774 382413295 /nfs/dbraw/zinc/41/32/95/382413295.db2.gz QJTPTYZLEJKXSP-VYMRPNJYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000370060774 382413298 /nfs/dbraw/zinc/41/32/98/382413298.db2.gz QJTPTYZLEJKXSP-VYMRPNJYSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000258554706 542354658 /nfs/dbraw/zinc/35/46/58/542354658.db2.gz JMEVNBVQZFSBHJ-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000258554706 542354662 /nfs/dbraw/zinc/35/46/62/542354662.db2.gz JMEVNBVQZFSBHJ-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000335257508 208041280 /nfs/dbraw/zinc/04/12/80/208041280.db2.gz RKZXGYUWVLUUDU-QWRGUYRKSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000335257508 208041287 /nfs/dbraw/zinc/04/12/87/208041287.db2.gz RKZXGYUWVLUUDU-QWRGUYRKSA-N 2 2 296.827 3.076 20 0 CGADLP CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353743850 220294948 /nfs/dbraw/zinc/29/49/48/220294948.db2.gz DMTUBMIVUZLICR-RDJZCZTQSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353743850 220294949 /nfs/dbraw/zinc/29/49/49/220294949.db2.gz DMTUBMIVUZLICR-RDJZCZTQSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353743850 220294952 /nfs/dbraw/zinc/29/49/52/220294952.db2.gz DMTUBMIVUZLICR-RDJZCZTQSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000353743850 220294954 /nfs/dbraw/zinc/29/49/54/220294954.db2.gz DMTUBMIVUZLICR-RDJZCZTQSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000289341333 197303357 /nfs/dbraw/zinc/30/33/57/197303357.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000289341333 197303359 /nfs/dbraw/zinc/30/33/59/197303359.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000285703204 542388807 /nfs/dbraw/zinc/38/88/07/542388807.db2.gz PEDJGVSDOVOMCF-OAHLLOKOSA-N 2 2 298.434 3.033 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000285663609 542388844 /nfs/dbraw/zinc/38/88/44/542388844.db2.gz MZVVOSIACMPYDJ-ZBFHGGJFSA-N 2 2 286.423 3.143 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC4CCC3CC4)n2c1 ZINC000353805971 220343437 /nfs/dbraw/zinc/34/34/37/220343437.db2.gz PBNXRNXOOKFPPQ-XUJLQICISA-N 2 2 269.392 3.311 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000289209858 197264109 /nfs/dbraw/zinc/26/41/09/197264109.db2.gz IMHGMGKFFKZHQQ-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000289209858 197264111 /nfs/dbraw/zinc/26/41/11/197264111.db2.gz IMHGMGKFFKZHQQ-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000309829741 542426998 /nfs/dbraw/zinc/42/69/98/542426998.db2.gz RUUSFMLBUCPQJM-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000309829741 542427001 /nfs/dbraw/zinc/42/70/01/542427001.db2.gz RUUSFMLBUCPQJM-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328255769 542444559 /nfs/dbraw/zinc/44/45/59/542444559.db2.gz LQUGPGHZAHRWOX-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328255769 542444561 /nfs/dbraw/zinc/44/45/61/542444561.db2.gz LQUGPGHZAHRWOX-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100660 285288365 /nfs/dbraw/zinc/28/83/65/285288365.db2.gz FIVGKSKBZMVNIF-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100660 285288370 /nfs/dbraw/zinc/28/83/70/285288370.db2.gz FIVGKSKBZMVNIF-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348089257 542513944 /nfs/dbraw/zinc/51/39/44/542513944.db2.gz SNNDTLVAOKANBL-BZSNNMDCSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348089257 542513945 /nfs/dbraw/zinc/51/39/45/542513945.db2.gz SNNDTLVAOKANBL-BZSNNMDCSA-N 2 2 270.420 3.039 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348115774 542515027 /nfs/dbraw/zinc/51/50/27/542515027.db2.gz ZXDBBCMATNYGBT-BRWVUGGUSA-N 2 2 258.409 3.068 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1scnc1C1CC1 ZINC000349384931 542525320 /nfs/dbraw/zinc/52/53/20/542525320.db2.gz QKEYNHCTWWOUPG-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1scnc1C1CC1 ZINC000349384931 542525322 /nfs/dbraw/zinc/52/53/22/542525322.db2.gz QKEYNHCTWWOUPG-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP COC[C@]1(C[NH2+][C@@H](CCC(C)C)c2ccoc2)CCC[NH2+]1 ZINC000423415708 533237258 /nfs/dbraw/zinc/23/72/58/533237258.db2.gz PGKACQMZRTYZQH-DLBZAZTESA-N 2 2 294.439 3.115 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1Cl ZINC000423286648 533352387 /nfs/dbraw/zinc/35/23/87/533352387.db2.gz HYMZXFITWAUNJL-MRVPVSSYSA-N 2 2 261.196 3.381 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000154582456 533419194 /nfs/dbraw/zinc/41/91/94/533419194.db2.gz WAGNNJHJORBBME-NEPJUHHUSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1C(F)(F)F ZINC000154582456 533419199 /nfs/dbraw/zinc/41/91/99/533419199.db2.gz WAGNNJHJORBBME-NEPJUHHUSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)cn1 ZINC000423401977 533437735 /nfs/dbraw/zinc/43/77/35/533437735.db2.gz XZPWXJFFMUZYEZ-BXUZGUMPSA-N 2 2 281.831 3.164 20 0 CGADLP COc1cccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000367696821 533438879 /nfs/dbraw/zinc/43/88/79/533438879.db2.gz ILHSQJQIXXJSFM-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP COc1cccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000367696821 533438883 /nfs/dbraw/zinc/43/88/83/533438883.db2.gz ILHSQJQIXXJSFM-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000427855282 533527981 /nfs/dbraw/zinc/52/79/81/533527981.db2.gz SBDYAWYEJLAYJJ-DGCLKSJQSA-N 2 2 287.432 3.099 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F)[C@H](C)[NH3+] ZINC000423431758 533501219 /nfs/dbraw/zinc/50/12/19/533501219.db2.gz AVETUPZFLWQCBB-YIZRAAEISA-N 2 2 292.757 3.328 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423553017 533541180 /nfs/dbraw/zinc/54/11/80/533541180.db2.gz JYEGQDDLPNAAGO-PWSUYJOCSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@@H](CC[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414824082 533608672 /nfs/dbraw/zinc/60/86/72/533608672.db2.gz AABOYJVRJOPLGZ-YJBOKZPZSA-N 2 2 268.404 3.470 20 0 CGADLP COc1ccc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000381055038 542595775 /nfs/dbraw/zinc/59/57/75/542595775.db2.gz IHKKTFLMAPEZOU-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccno2)cc1 ZINC000371625189 542590116 /nfs/dbraw/zinc/59/01/16/542590116.db2.gz SSQQTADLCCSMCM-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000389193432 542607311 /nfs/dbraw/zinc/60/73/11/542607311.db2.gz WCMGBLRZYJBMMY-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000389193432 542607313 /nfs/dbraw/zinc/60/73/13/542607313.db2.gz WCMGBLRZYJBMMY-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389327788 542608723 /nfs/dbraw/zinc/60/87/23/542608723.db2.gz HFPFNUWWHIBHJO-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389327788 542608724 /nfs/dbraw/zinc/60/87/24/542608724.db2.gz HFPFNUWWHIBHJO-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)C)CC1 ZINC000054554404 392092759 /nfs/dbraw/zinc/09/27/59/392092759.db2.gz OOMRFLSZTHZVDC-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)C)CC1 ZINC000054554404 392092768 /nfs/dbraw/zinc/09/27/68/392092768.db2.gz OOMRFLSZTHZVDC-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000063191464 392136669 /nfs/dbraw/zinc/13/66/69/392136669.db2.gz YCZQOLOUHBVVAF-SMDDNHRTSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000063191464 392136672 /nfs/dbraw/zinc/13/66/72/392136672.db2.gz YCZQOLOUHBVVAF-SMDDNHRTSA-N 2 2 252.789 3.042 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccon1 ZINC000361748315 392311966 /nfs/dbraw/zinc/31/19/66/392311966.db2.gz ANSBVVYQDLFASU-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361756018 392313786 /nfs/dbraw/zinc/31/37/86/392313786.db2.gz SUKCLAYPEJNNST-FHLIZLRMSA-N 2 2 299.418 3.481 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000361755084 392313949 /nfs/dbraw/zinc/31/39/49/392313949.db2.gz GRWJTQHRPUAQLE-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000361755084 392313954 /nfs/dbraw/zinc/31/39/54/392313954.db2.gz GRWJTQHRPUAQLE-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC=C(C)CC1 ZINC000361861381 392347146 /nfs/dbraw/zinc/34/71/46/392347146.db2.gz ZZLIXIDRRULOOB-UHFFFAOYSA-N 2 2 267.376 3.333 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC=C(C)CC1 ZINC000361861381 392347149 /nfs/dbraw/zinc/34/71/49/392347149.db2.gz ZZLIXIDRRULOOB-UHFFFAOYSA-N 2 2 267.376 3.333 20 0 CGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000453395255 542682416 /nfs/dbraw/zinc/68/24/16/542682416.db2.gz UCPPHDPJHUXMTC-WBVHZDCISA-N 2 2 299.418 3.162 20 0 CGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000453395255 542682418 /nfs/dbraw/zinc/68/24/18/542682418.db2.gz UCPPHDPJHUXMTC-WBVHZDCISA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000368585405 392493049 /nfs/dbraw/zinc/49/30/49/392493049.db2.gz QRIGTSCDTVMCFF-SJKOYZFVSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(C)(C)C ZINC000152257504 392501051 /nfs/dbraw/zinc/50/10/51/392501051.db2.gz DQNLNEUSIIMVLF-CYBMUJFWSA-N 2 2 257.381 3.397 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295892101 392551840 /nfs/dbraw/zinc/55/18/40/392551840.db2.gz IGNZNMDGPHHPNP-OCCSQVGLSA-N 2 2 293.842 3.186 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295892101 392551841 /nfs/dbraw/zinc/55/18/41/392551841.db2.gz IGNZNMDGPHHPNP-OCCSQVGLSA-N 2 2 293.842 3.186 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000296259447 392555947 /nfs/dbraw/zinc/55/59/47/392555947.db2.gz DFIQFLBYIZJHOI-JZIBPQBNSA-N 2 2 262.397 3.172 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000296259447 392555951 /nfs/dbraw/zinc/55/59/51/392555951.db2.gz DFIQFLBYIZJHOI-JZIBPQBNSA-N 2 2 262.397 3.172 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000162649231 392599554 /nfs/dbraw/zinc/59/95/54/392599554.db2.gz GTKKRLLYUYSSAR-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000162649231 392599557 /nfs/dbraw/zinc/59/95/57/392599557.db2.gz GTKKRLLYUYSSAR-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP C[NH+](C)Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1F ZINC000301894229 392601235 /nfs/dbraw/zinc/60/12/35/392601235.db2.gz SSZFKTUQGNTVQK-UHFFFAOYSA-N 2 2 298.365 3.376 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)CCC2 ZINC000156572576 392547858 /nfs/dbraw/zinc/54/78/58/392547858.db2.gz NQKKKVMMMPUNDZ-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)CCC2 ZINC000156572576 392547863 /nfs/dbraw/zinc/54/78/63/392547863.db2.gz NQKKKVMMMPUNDZ-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000313266761 392665735 /nfs/dbraw/zinc/66/57/35/392665735.db2.gz JIXLXNGTUWPRLP-SUMWQHHRSA-N 2 2 269.392 3.191 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000647315906 392659933 /nfs/dbraw/zinc/65/99/33/392659933.db2.gz FRGFNVGDWRADPD-OLZOCXBDSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000647315906 392659937 /nfs/dbraw/zinc/65/99/37/392659937.db2.gz FRGFNVGDWRADPD-OLZOCXBDSA-N 2 2 278.827 3.401 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553986 392767627 /nfs/dbraw/zinc/76/76/27/392767627.db2.gz ONJHLQLOQKYTQG-CQSZACIVSA-N 2 2 264.800 3.104 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000181738683 392735818 /nfs/dbraw/zinc/73/58/18/392735818.db2.gz JQXSZBSHFXRXTE-GDBMZVCRSA-N 2 2 271.408 3.435 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000647495378 392741003 /nfs/dbraw/zinc/74/10/03/392741003.db2.gz RVWDTIOYEIAZCD-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000647495378 392741005 /nfs/dbraw/zinc/74/10/05/392741005.db2.gz RVWDTIOYEIAZCD-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP Cc1cc(F)c(C[NH+]2CCC(C)([NH3+])CC2)c(Cl)c1 ZINC000647531054 392752451 /nfs/dbraw/zinc/75/24/51/392752451.db2.gz ZHEIBOVJBZTJEO-UHFFFAOYSA-N 2 2 270.779 3.101 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534040 392756826 /nfs/dbraw/zinc/75/68/26/392756826.db2.gz FEVLYFWLLHNKSS-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534040 392756833 /nfs/dbraw/zinc/75/68/33/392756833.db2.gz FEVLYFWLLHNKSS-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP FC1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000647349290 392698640 /nfs/dbraw/zinc/69/86/40/392698640.db2.gz IOPCSMVRTZXTSA-UHFFFAOYSA-N 2 2 291.414 3.168 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647363572 392708221 /nfs/dbraw/zinc/70/82/21/392708221.db2.gz DFPGBEWYYDYWRI-GDBMZVCRSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC34CCC4)cn21 ZINC000647363848 392708764 /nfs/dbraw/zinc/70/87/64/392708764.db2.gz LPTZTERCBRLBRQ-HNNXBMFYSA-N 2 2 269.392 3.108 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554035 392767144 /nfs/dbraw/zinc/76/71/44/392767144.db2.gz PKYRFVHQGQKFQZ-CYBMUJFWSA-N 2 2 293.480 3.205 20 0 CGADLP c1[nH+]cn2c1C[N@H+](CCCc1cccc3ccccc31)CC2 ZINC000647939308 392839694 /nfs/dbraw/zinc/83/96/94/392839694.db2.gz JMBRAISVPHYSSI-UHFFFAOYSA-N 2 2 291.398 3.485 20 0 CGADLP c1[nH+]cn2c1C[N@@H+](CCCc1cccc3ccccc31)CC2 ZINC000647939308 392839697 /nfs/dbraw/zinc/83/96/97/392839697.db2.gz JMBRAISVPHYSSI-UHFFFAOYSA-N 2 2 291.398 3.485 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510667966 392808143 /nfs/dbraw/zinc/80/81/43/392808143.db2.gz RJMRKZFABYLQKG-ZDUSSCGKSA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510667966 392808147 /nfs/dbraw/zinc/80/81/47/392808147.db2.gz RJMRKZFABYLQKG-ZDUSSCGKSA-N 2 2 284.394 3.216 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)Cc2ccccc2C1 ZINC000510713895 392811246 /nfs/dbraw/zinc/81/12/46/392811246.db2.gz AEXQWNVECAKBQA-RTBURBONSA-N 2 2 298.474 3.254 20 0 CGADLP CC(C)c1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000647844048 392812047 /nfs/dbraw/zinc/81/20/47/392812047.db2.gz OMLNPHMVCGSKQZ-ZFWWWQNUSA-N 2 2 290.455 3.252 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCCC12CCC2 ZINC000423429059 285503325 /nfs/dbraw/zinc/50/33/25/285503325.db2.gz OSIREQRDEIFNCJ-IAGOWNOFSA-N 2 2 270.420 3.186 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c[nH+]1 ZINC000648077564 392907380 /nfs/dbraw/zinc/90/73/80/392907380.db2.gz XYCAVOJITAGWGP-INIZCTEOSA-N 2 2 288.435 3.356 20 0 CGADLP FC1(F)CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000336383724 392852764 /nfs/dbraw/zinc/85/27/64/392852764.db2.gz NGWJTQPMOWRAOL-AWEZNQCLSA-N 2 2 295.377 3.218 20 0 CGADLP C([C@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000513387241 392853642 /nfs/dbraw/zinc/85/36/42/392853642.db2.gz XSDDVNFQFZNHSC-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C([C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000513387241 392853649 /nfs/dbraw/zinc/85/36/49/392853649.db2.gz XSDDVNFQFZNHSC-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647970803 392853966 /nfs/dbraw/zinc/85/39/66/392853966.db2.gz GZMFQMKTVNRMTC-RLFYNMQTSA-N 2 2 299.418 3.074 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382078937 392917415 /nfs/dbraw/zinc/91/74/15/392917415.db2.gz HVXKVYLSKZHQND-LMPOIIKSSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382078937 392917419 /nfs/dbraw/zinc/91/74/19/392917419.db2.gz HVXKVYLSKZHQND-LMPOIIKSSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194705197 392935219 /nfs/dbraw/zinc/93/52/19/392935219.db2.gz GHSIXQDDAMIUMX-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1scnc1C1CC1 ZINC000494979945 542722214 /nfs/dbraw/zinc/72/22/14/542722214.db2.gz YCRXQUCRIDGDBS-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1scnc1C1CC1 ZINC000494979945 542722215 /nfs/dbraw/zinc/72/22/15/542722215.db2.gz YCRXQUCRIDGDBS-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1scnc1C1CC1 ZINC000494979945 542722218 /nfs/dbraw/zinc/72/22/18/542722218.db2.gz YCRXQUCRIDGDBS-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1scnc1C1CC1 ZINC000494979945 542722220 /nfs/dbraw/zinc/72/22/20/542722220.db2.gz YCRXQUCRIDGDBS-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648359186 392980465 /nfs/dbraw/zinc/98/04/65/392980465.db2.gz AHXYZBFQULCWPW-UHFFFAOYSA-N 2 2 293.798 3.007 20 0 CGADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)CC1CCCCC1 ZINC000414989979 393083080 /nfs/dbraw/zinc/08/30/80/393083080.db2.gz NONDKGKKLHDACB-WCQYABFASA-N 2 2 262.388 3.165 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000415003508 393087954 /nfs/dbraw/zinc/08/79/54/393087954.db2.gz GAUIGPYHGQCGMZ-YUMQZZPRSA-N 2 2 280.721 3.184 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000346707499 393092335 /nfs/dbraw/zinc/09/23/35/393092335.db2.gz OWVNSWQKZHATQA-LXZKKBNFSA-N 2 2 282.472 3.043 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000346707499 393092338 /nfs/dbraw/zinc/09/23/38/393092338.db2.gz OWVNSWQKZHATQA-LXZKKBNFSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541429 393104220 /nfs/dbraw/zinc/10/42/20/393104220.db2.gz GTGFFKDMKIXGMS-PBHICJAKSA-N 2 2 262.441 3.339 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541429 393104226 /nfs/dbraw/zinc/10/42/26/393104226.db2.gz GTGFFKDMKIXGMS-PBHICJAKSA-N 2 2 262.441 3.339 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415033815 393105378 /nfs/dbraw/zinc/10/53/78/393105378.db2.gz HGVJUTYIKISJFB-CQSZACIVSA-N 2 2 264.438 3.029 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037120 393106096 /nfs/dbraw/zinc/10/60/96/393106096.db2.gz GFNYOXAYYQSADL-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037120 393106100 /nfs/dbraw/zinc/10/61/00/393106100.db2.gz GFNYOXAYYQSADL-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2nccn21 ZINC000345366070 393053101 /nfs/dbraw/zinc/05/31/01/393053101.db2.gz YTFVNZKJCHQFJC-GDBMZVCRSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2nccn21 ZINC000345366070 393053108 /nfs/dbraw/zinc/05/31/08/393053108.db2.gz YTFVNZKJCHQFJC-GDBMZVCRSA-N 2 2 290.455 3.133 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546573642 393056726 /nfs/dbraw/zinc/05/67/26/393056726.db2.gz GNSUNWHNZGCPFK-IAGOWNOFSA-N 2 2 272.436 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546573642 393056731 /nfs/dbraw/zinc/05/67/31/393056731.db2.gz GNSUNWHNZGCPFK-IAGOWNOFSA-N 2 2 272.436 3.420 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000414955896 393063456 /nfs/dbraw/zinc/06/34/56/393063456.db2.gz NVXDBMDGJYMZDH-LIRRHRJNSA-N 2 2 298.405 3.406 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000547333371 393107130 /nfs/dbraw/zinc/10/71/30/393107130.db2.gz GHFSHNPDWBPGNB-CYGHRXIMSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000547333371 393107138 /nfs/dbraw/zinc/10/71/38/393107138.db2.gz GHFSHNPDWBPGNB-CYGHRXIMSA-N 2 2 272.436 3.110 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000415045864 393110514 /nfs/dbraw/zinc/11/05/14/393110514.db2.gz BWSSPRPGJWQNKD-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000415057174 393116723 /nfs/dbraw/zinc/11/67/23/393116723.db2.gz REJUDXDSLZZYRP-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057902 393119934 /nfs/dbraw/zinc/11/99/34/393119934.db2.gz VETXXHIFDUWDTE-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057902 393119940 /nfs/dbraw/zinc/11/99/40/393119940.db2.gz VETXXHIFDUWDTE-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 ZINC000415063927 393124293 /nfs/dbraw/zinc/12/42/93/393124293.db2.gz JFWQZFIWRNGWQA-KRWDZBQOSA-N 2 2 272.367 3.178 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000348433786 393124634 /nfs/dbraw/zinc/12/46/34/393124634.db2.gz WGTDUTPLMYHUGH-IWCQGFGOSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000348433786 393124641 /nfs/dbraw/zinc/12/46/41/393124641.db2.gz WGTDUTPLMYHUGH-IWCQGFGOSA-N 2 2 276.399 3.302 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCC1 ZINC000415068888 393126220 /nfs/dbraw/zinc/12/62/20/393126220.db2.gz RQBOFSRCSVHZOV-OAHLLOKOSA-N 2 2 293.480 3.408 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC000415073878 393129914 /nfs/dbraw/zinc/12/99/14/393129914.db2.gz ZYTOSJYGDYXVRA-SFHVURJKSA-N 2 2 284.403 3.047 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1C ZINC000415072647 393130382 /nfs/dbraw/zinc/13/03/82/393130382.db2.gz YJKDDHCDBVKCNJ-GOSISDBHSA-N 2 2 268.404 3.347 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000415074243 393130484 /nfs/dbraw/zinc/13/04/84/393130484.db2.gz ZZVPFTJPJDPFBX-GFCCVEGCSA-N 2 2 266.454 3.277 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000415074416 393130511 /nfs/dbraw/zinc/13/05/11/393130511.db2.gz COWQLKJGMQLHAZ-RYUDHWBXSA-N 2 2 283.485 3.465 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000415084868 393138008 /nfs/dbraw/zinc/13/80/08/393138008.db2.gz RSKPUOCXKQRWPP-OCCSQVGLSA-N 2 2 293.480 3.421 20 0 CGADLP Cc1ccc(CCCN2C[C@H](C)[NH2+]Cc3ccccc32)c[nH+]1 ZINC000415095827 393143056 /nfs/dbraw/zinc/14/30/56/393143056.db2.gz COFKZQAKAMNXLC-INIZCTEOSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354200937 393241120 /nfs/dbraw/zinc/24/11/20/393241120.db2.gz RMFOTXFEGRVPLO-HLLBOEOZSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354200937 393241124 /nfs/dbraw/zinc/24/11/24/393241124.db2.gz RMFOTXFEGRVPLO-HLLBOEOZSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000271274626 393248753 /nfs/dbraw/zinc/24/87/53/393248753.db2.gz PCIXGQCMMYXYJF-LESCRADOSA-N 2 2 287.451 3.030 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000271274626 393248762 /nfs/dbraw/zinc/24/87/62/393248762.db2.gz PCIXGQCMMYXYJF-LESCRADOSA-N 2 2 287.451 3.030 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]CCn3cc[nH+]c3)c(C)c2c1 ZINC000268750915 393203148 /nfs/dbraw/zinc/20/31/48/393203148.db2.gz XLQDTLPHZYYWNU-CYBMUJFWSA-N 2 2 299.374 3.297 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000471597337 393285333 /nfs/dbraw/zinc/28/53/33/393285333.db2.gz DKHNGYOPQJNNQW-TXCZRRACSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773268 393324239 /nfs/dbraw/zinc/32/42/39/393324239.db2.gz WTIBFKDQWZTHKI-SJLPKXTDSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773268 393324242 /nfs/dbraw/zinc/32/42/42/393324242.db2.gz WTIBFKDQWZTHKI-SJLPKXTDSA-N 2 2 283.419 3.460 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)c[nH+]1 ZINC000649287271 393392569 /nfs/dbraw/zinc/39/25/69/393392569.db2.gz YVCYSWHKRMTODI-PCKAHOCUSA-N 2 2 259.397 3.100 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)c[nH+]1 ZINC000649287271 393392570 /nfs/dbraw/zinc/39/25/70/393392570.db2.gz YVCYSWHKRMTODI-PCKAHOCUSA-N 2 2 259.397 3.100 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000474724146 393343725 /nfs/dbraw/zinc/34/37/25/393343725.db2.gz AVPPWTDSHGWPSJ-YCPHGPKFSA-N 2 2 288.435 3.014 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000474724146 393343730 /nfs/dbraw/zinc/34/37/30/393343730.db2.gz AVPPWTDSHGWPSJ-YCPHGPKFSA-N 2 2 288.435 3.014 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474799227 393348856 /nfs/dbraw/zinc/34/88/56/393348856.db2.gz OBACSMCIKPNQAT-JKSUJKDBSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474799227 393348858 /nfs/dbraw/zinc/34/88/58/393348858.db2.gz OBACSMCIKPNQAT-JKSUJKDBSA-N 2 2 284.488 3.149 20 0 CGADLP CSc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000356169195 393366517 /nfs/dbraw/zinc/36/65/17/393366517.db2.gz QRMBKZZEVKXFMJ-UHFFFAOYSA-N 2 2 282.478 3.186 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000649416498 393417054 /nfs/dbraw/zinc/41/70/54/393417054.db2.gz CBUTUMLDEKFCPA-FMKPAKJESA-N 2 2 299.418 3.462 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000649416498 393417059 /nfs/dbraw/zinc/41/70/59/393417059.db2.gz CBUTUMLDEKFCPA-FMKPAKJESA-N 2 2 299.418 3.462 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@@H]1[NH3+] ZINC000649416891 393417399 /nfs/dbraw/zinc/41/73/99/393417399.db2.gz OXMRAMIBGDECCX-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@@H]1[NH3+] ZINC000649416891 393417402 /nfs/dbraw/zinc/41/74/02/393417402.db2.gz OXMRAMIBGDECCX-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000420283588 393450034 /nfs/dbraw/zinc/45/00/34/393450034.db2.gz CFAFJBHWTBPFLZ-WFASDCNBSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000420283588 393450037 /nfs/dbraw/zinc/45/00/37/393450037.db2.gz CFAFJBHWTBPFLZ-WFASDCNBSA-N 2 2 296.842 3.296 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427894726 393459475 /nfs/dbraw/zinc/45/94/75/393459475.db2.gz LRITXZWRHWVMHS-GOEBONIOSA-N 2 2 297.402 3.010 20 0 CGADLP COc1ccccc1CCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000420315709 393460604 /nfs/dbraw/zinc/46/06/04/393460604.db2.gz XGOMRLKVKDVGDW-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP COc1ccccc1CCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000420315709 393460610 /nfs/dbraw/zinc/46/06/10/393460610.db2.gz XGOMRLKVKDVGDW-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135776 393468017 /nfs/dbraw/zinc/46/80/17/393468017.db2.gz OVCBZPGEAYCJAN-NVXWUHKLSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135776 393468027 /nfs/dbraw/zinc/46/80/27/393468027.db2.gz OVCBZPGEAYCJAN-NVXWUHKLSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc2O1 ZINC000429135776 393468034 /nfs/dbraw/zinc/46/80/34/393468034.db2.gz OVCBZPGEAYCJAN-NVXWUHKLSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc2O1 ZINC000429135776 393468043 /nfs/dbraw/zinc/46/80/43/393468043.db2.gz OVCBZPGEAYCJAN-NVXWUHKLSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1Cl ZINC000420362869 393474389 /nfs/dbraw/zinc/47/43/89/393474389.db2.gz JASMUKZPHMPCGU-JUFZMCDQSA-N 2 2 266.816 3.377 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000488563731 393540047 /nfs/dbraw/zinc/54/00/47/393540047.db2.gz UPKNXJJEMYNNSI-OLMNPRSZSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000488563731 393540050 /nfs/dbraw/zinc/54/00/50/393540050.db2.gz UPKNXJJEMYNNSI-OLMNPRSZSA-N 2 2 272.436 3.143 20 0 CGADLP CC[N@H+](C[C@H]1C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357618 393495992 /nfs/dbraw/zinc/49/59/92/393495992.db2.gz VWGRBLUXUYUXIM-NVXWUHKLSA-N 2 2 287.451 3.276 20 0 CGADLP CC[N@@H+](C[C@H]1C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357618 393495999 /nfs/dbraw/zinc/49/59/99/393495999.db2.gz VWGRBLUXUYUXIM-NVXWUHKLSA-N 2 2 287.451 3.276 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000488418711 393505873 /nfs/dbraw/zinc/50/58/73/393505873.db2.gz FWFWCEYUDCVMER-ABHNRTSZSA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000488435483 393511933 /nfs/dbraw/zinc/51/19/33/393511933.db2.gz AAFBFDJSHHSHIY-BMGDILEWSA-N 2 2 272.436 3.069 20 0 CGADLP CC[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000488435483 393511937 /nfs/dbraw/zinc/51/19/37/393511937.db2.gz AAFBFDJSHHSHIY-BMGDILEWSA-N 2 2 272.436 3.069 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000488446676 393517597 /nfs/dbraw/zinc/51/75/97/393517597.db2.gz HMICDXVEUZYJFI-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000488446676 393517599 /nfs/dbraw/zinc/51/75/99/393517599.db2.gz HMICDXVEUZYJFI-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)n21 ZINC000430098100 393521005 /nfs/dbraw/zinc/52/10/05/393521005.db2.gz CKFKETWEGBXKFZ-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)n21 ZINC000430098100 393521008 /nfs/dbraw/zinc/52/10/08/393521008.db2.gz CKFKETWEGBXKFZ-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455572 393521187 /nfs/dbraw/zinc/52/11/87/393521187.db2.gz FJZXZEAAVXDZFD-YWPYICTPSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455572 393521193 /nfs/dbraw/zinc/52/11/93/393521193.db2.gz FJZXZEAAVXDZFD-YWPYICTPSA-N 2 2 266.816 3.331 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565862 393576616 /nfs/dbraw/zinc/57/66/16/393576616.db2.gz BAUKSHBMFSVUAN-QWHCGFSZSA-N 2 2 281.444 3.338 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565862 393576620 /nfs/dbraw/zinc/57/66/20/393576620.db2.gz BAUKSHBMFSVUAN-QWHCGFSZSA-N 2 2 281.444 3.338 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666741066 542811313 /nfs/dbraw/zinc/81/13/13/542811313.db2.gz CBZXETKUHWUYAQ-LLVKDONJSA-N 2 2 292.757 3.014 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c2ncccc12 ZINC000666768497 542814587 /nfs/dbraw/zinc/81/45/87/542814587.db2.gz HEGGGYXDXGEQKB-CYBMUJFWSA-N 2 2 289.810 3.120 20 0 CGADLP c1nc(C[NH2+][C@H]2CCC[NH2+]CC2)sc1-c1ccccc1 ZINC000666856340 542820735 /nfs/dbraw/zinc/82/07/35/542820735.db2.gz BLIXSIDZXUKNKG-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC000430769884 393595745 /nfs/dbraw/zinc/59/57/45/393595745.db2.gz YUVWITGAZSKCHC-AWEZNQCLSA-N 2 2 268.351 3.348 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430576456 393579227 /nfs/dbraw/zinc/57/92/27/393579227.db2.gz XINSSHYOMCNKRS-STQMWFEESA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430576456 393579229 /nfs/dbraw/zinc/57/92/29/393579229.db2.gz XINSSHYOMCNKRS-STQMWFEESA-N 2 2 281.469 3.045 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430602310 393581136 /nfs/dbraw/zinc/58/11/36/393581136.db2.gz KZAHVLJNLKOMKA-INIZCTEOSA-N 2 2 297.402 3.187 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430602310 393581141 /nfs/dbraw/zinc/58/11/41/393581141.db2.gz KZAHVLJNLKOMKA-INIZCTEOSA-N 2 2 297.402 3.187 20 0 CGADLP Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2[nH+]1 ZINC000489910111 393620754 /nfs/dbraw/zinc/62/07/54/393620754.db2.gz HUOQNHGDIOEYGZ-LBPRGKRZSA-N 2 2 296.349 3.306 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360984836 393628377 /nfs/dbraw/zinc/62/83/77/393628377.db2.gz FMQZXWOARBIIQH-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360984836 393628382 /nfs/dbraw/zinc/62/83/82/393628382.db2.gz FMQZXWOARBIIQH-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421833518 393634193 /nfs/dbraw/zinc/63/41/93/393634193.db2.gz IVLFSQDARGYQFK-CQSZACIVSA-N 2 2 253.349 3.145 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@H]1CCCC[NH2+]1 ZINC000423091056 393650851 /nfs/dbraw/zinc/65/08/51/393650851.db2.gz ZBQSSBXIOWXQPV-JCURWCKSSA-N 2 2 276.399 3.323 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245540 393656424 /nfs/dbraw/zinc/65/64/24/393656424.db2.gz YOTKYGZFPWZQED-GXFFZTMASA-N 2 2 282.840 3.219 20 0 CGADLP CC[C@H](F)C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767435 393734982 /nfs/dbraw/zinc/73/49/82/393734982.db2.gz UMHYNXNJJZUIIV-SOUVJXGZSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767435 393734986 /nfs/dbraw/zinc/73/49/86/393734986.db2.gz UMHYNXNJJZUIIV-SOUVJXGZSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC000440767435 393734988 /nfs/dbraw/zinc/73/49/88/393734988.db2.gz UMHYNXNJJZUIIV-SOUVJXGZSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC000440767435 393734990 /nfs/dbraw/zinc/73/49/90/393734990.db2.gz UMHYNXNJJZUIIV-SOUVJXGZSA-N 2 2 276.415 3.269 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000491550292 393695581 /nfs/dbraw/zinc/69/55/81/393695581.db2.gz XKZRTADPYGEMPU-MGPQQGTHSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000491550292 393695587 /nfs/dbraw/zinc/69/55/87/393695587.db2.gz XKZRTADPYGEMPU-MGPQQGTHSA-N 2 2 286.410 3.417 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434789875 393714105 /nfs/dbraw/zinc/71/41/05/393714105.db2.gz OUIBZMQVZOBFPM-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000434789875 393714107 /nfs/dbraw/zinc/71/41/07/393714107.db2.gz OUIBZMQVZOBFPM-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H]1c2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444622518 393790620 /nfs/dbraw/zinc/79/06/20/393790620.db2.gz VUVMVBAFRGYROI-HNNXBMFYSA-N 2 2 258.409 3.439 20 0 CGADLP C[C@H]1c2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444622518 393790625 /nfs/dbraw/zinc/79/06/25/393790625.db2.gz VUVMVBAFRGYROI-HNNXBMFYSA-N 2 2 258.409 3.439 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502919173 393887589 /nfs/dbraw/zinc/88/75/89/393887589.db2.gz LSWBEKSDWURMFP-FUHWJXTLSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502919173 393887596 /nfs/dbraw/zinc/88/75/96/393887596.db2.gz LSWBEKSDWURMFP-FUHWJXTLSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502919173 393887602 /nfs/dbraw/zinc/88/76/02/393887602.db2.gz LSWBEKSDWURMFP-FUHWJXTLSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502919173 393887607 /nfs/dbraw/zinc/88/76/07/393887607.db2.gz LSWBEKSDWURMFP-FUHWJXTLSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449545241 393894255 /nfs/dbraw/zinc/89/42/55/393894255.db2.gz YHKZCULVEGNFIQ-ROUUACIJSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449545241 393894259 /nfs/dbraw/zinc/89/42/59/393894259.db2.gz YHKZCULVEGNFIQ-ROUUACIJSA-N 2 2 270.420 3.443 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]CC1(C)CCCCCC1 ZINC000503581336 393905230 /nfs/dbraw/zinc/90/52/30/393905230.db2.gz MBMDYWVECRCYSK-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2)C(C)C)n1C ZINC000667462198 542871009 /nfs/dbraw/zinc/87/10/09/542871009.db2.gz AHRAKEZIAMXNQN-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2)C(C)C)n1C ZINC000667462198 542871012 /nfs/dbraw/zinc/87/10/12/542871012.db2.gz AHRAKEZIAMXNQN-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H](C2CC2)C2CCC2)[nH+]c1 ZINC000453134630 394183815 /nfs/dbraw/zinc/18/38/15/394183815.db2.gz SGQXQMSVWOAMRZ-MRXNPFEDSA-N 2 2 259.397 3.052 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C(C)(C)C[NH+](C)C ZINC000453602743 394255824 /nfs/dbraw/zinc/25/58/24/394255824.db2.gz HBZSUHJVKHOZCJ-ZDUSSCGKSA-N 2 2 266.404 3.077 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000667493516 542876288 /nfs/dbraw/zinc/87/62/88/542876288.db2.gz UWSTXSAFBNQRKX-MRXNPFEDSA-N 2 2 281.403 3.036 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000667493516 542876291 /nfs/dbraw/zinc/87/62/91/542876291.db2.gz UWSTXSAFBNQRKX-MRXNPFEDSA-N 2 2 281.403 3.036 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC1CC(F)(F)C1 ZINC000453574176 394249696 /nfs/dbraw/zinc/24/96/96/394249696.db2.gz BKSRRXLPGJZGMK-UHFFFAOYSA-N 2 2 268.351 3.348 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1C1CCCCC1)CCC2 ZINC000667503075 542880859 /nfs/dbraw/zinc/88/08/59/542880859.db2.gz YYPKAIFQHXBKGW-MRXNPFEDSA-N 2 2 273.424 3.374 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1C1CCCCC1)CCC2 ZINC000667503075 542880863 /nfs/dbraw/zinc/88/08/63/542880863.db2.gz YYPKAIFQHXBKGW-MRXNPFEDSA-N 2 2 273.424 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)n1C ZINC000667571362 542892133 /nfs/dbraw/zinc/89/21/33/542892133.db2.gz UGMRGNABLITXLF-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)n1C ZINC000667571362 542892136 /nfs/dbraw/zinc/89/21/36/542892136.db2.gz UGMRGNABLITXLF-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630065 542900628 /nfs/dbraw/zinc/90/06/28/542900628.db2.gz WAPNERPWZDOINO-AWEZNQCLSA-N 2 2 290.436 3.003 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630065 542900631 /nfs/dbraw/zinc/90/06/31/542900631.db2.gz WAPNERPWZDOINO-AWEZNQCLSA-N 2 2 290.436 3.003 20 0 CGADLP CCC[C@]1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651861 542906121 /nfs/dbraw/zinc/90/61/21/542906121.db2.gz LAKNSFXXXFZJDS-MRXNPFEDSA-N 2 2 261.413 3.232 20 0 CGADLP CCC[C@]1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651861 542906122 /nfs/dbraw/zinc/90/61/22/542906122.db2.gz LAKNSFXXXFZJDS-MRXNPFEDSA-N 2 2 261.413 3.232 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000667667666 542912376 /nfs/dbraw/zinc/91/23/76/542912376.db2.gz STZMCGCRNRBBSY-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@H+]1C ZINC000667667666 542912378 /nfs/dbraw/zinc/91/23/78/542912378.db2.gz STZMCGCRNRBBSY-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667666 542912381 /nfs/dbraw/zinc/91/23/81/542912381.db2.gz STZMCGCRNRBBSY-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667666 542912385 /nfs/dbraw/zinc/91/23/85/542912385.db2.gz STZMCGCRNRBBSY-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000667667667 542912627 /nfs/dbraw/zinc/91/26/27/542912627.db2.gz STZMCGCRNRBBSY-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@H+]1C ZINC000667667667 542912631 /nfs/dbraw/zinc/91/26/31/542912631.db2.gz STZMCGCRNRBBSY-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667667 542912634 /nfs/dbraw/zinc/91/26/34/542912634.db2.gz STZMCGCRNRBBSY-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667667 542912637 /nfs/dbraw/zinc/91/26/37/542912637.db2.gz STZMCGCRNRBBSY-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1c1ccccc1 ZINC000667670384 542912880 /nfs/dbraw/zinc/91/28/80/542912880.db2.gz MOWOJDACPOOWJQ-QAPCUYQASA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1c1ccccc1 ZINC000667670384 542912883 /nfs/dbraw/zinc/91/28/83/542912883.db2.gz MOWOJDACPOOWJQ-QAPCUYQASA-N 2 2 295.430 3.455 20 0 CGADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676437 542915163 /nfs/dbraw/zinc/91/51/63/542915163.db2.gz PEGXDSWYAXETPZ-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676437 542915165 /nfs/dbraw/zinc/91/51/65/542915165.db2.gz PEGXDSWYAXETPZ-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695367 542919135 /nfs/dbraw/zinc/91/91/35/542919135.db2.gz QSBMSJCAMPJCPO-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695367 542919136 /nfs/dbraw/zinc/91/91/36/542919136.db2.gz QSBMSJCAMPJCPO-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)[nH]c2c1 ZINC000667705525 542919734 /nfs/dbraw/zinc/91/97/34/542919734.db2.gz FUYQUSKACWIHSJ-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705525 542919737 /nfs/dbraw/zinc/91/97/37/542919737.db2.gz FUYQUSKACWIHSJ-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705525 542919740 /nfs/dbraw/zinc/91/97/40/542919740.db2.gz FUYQUSKACWIHSJ-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705525 542919743 /nfs/dbraw/zinc/91/97/43/542919743.db2.gz FUYQUSKACWIHSJ-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000667879192 542941118 /nfs/dbraw/zinc/94/11/18/542941118.db2.gz LCLCBRLXJCPBFT-QANKJYHBSA-N 2 2 297.402 3.090 20 0 CGADLP CCc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668189487 542985265 /nfs/dbraw/zinc/98/52/65/542985265.db2.gz FZJFIYGQUQNHQB-KRWDZBQOSA-N 2 2 295.430 3.381 20 0 CGADLP CCc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668189487 542985267 /nfs/dbraw/zinc/98/52/67/542985267.db2.gz FZJFIYGQUQNHQB-KRWDZBQOSA-N 2 2 295.430 3.381 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C ZINC000670270262 543150402 /nfs/dbraw/zinc/15/04/02/543150402.db2.gz MAUDQNWPHKPPKH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C(C)(C)C ZINC000670270262 543150404 /nfs/dbraw/zinc/15/04/04/543150404.db2.gz MAUDQNWPHKPPKH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194994 543162425 /nfs/dbraw/zinc/16/24/25/543162425.db2.gz RYFJPDNLMFILIW-TWGQIWQCSA-N 2 2 267.376 3.022 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302862 543168208 /nfs/dbraw/zinc/16/82/08/543168208.db2.gz FRWCSKSRYXISIB-GFCCVEGCSA-N 2 2 275.421 3.002 20 0 CGADLP COC1CC[NH+](CC[NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000671716548 543180081 /nfs/dbraw/zinc/18/00/81/543180081.db2.gz LHWYYUBJBDLKSG-UHFFFAOYSA-N 2 2 296.499 3.149 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000352834651 292110020 /nfs/dbraw/zinc/11/00/20/292110020.db2.gz VNJOCELABCOEND-MKBNYLNASA-N 2 2 278.465 3.060 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000352834651 292110023 /nfs/dbraw/zinc/11/00/23/292110023.db2.gz VNJOCELABCOEND-MKBNYLNASA-N 2 2 278.465 3.060 20 0 CGADLP Cc1nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000673811402 543255503 /nfs/dbraw/zinc/25/55/03/543255503.db2.gz AGPRLLOXWIUEMR-UHFFFAOYSA-N 2 2 293.480 3.338 20 0 CGADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)C1CCCCC1 ZINC000393496206 397693843 /nfs/dbraw/zinc/69/38/43/397693843.db2.gz ZJAXTTVITBXRER-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000674758951 543295926 /nfs/dbraw/zinc/29/59/26/543295926.db2.gz VUFTUXDVAMDNPY-ZDUSSCGKSA-N 2 2 295.390 3.063 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766833 543362695 /nfs/dbraw/zinc/36/26/95/543362695.db2.gz PTNQCFFVQKJWLC-CJNGLKHVSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766833 543362697 /nfs/dbraw/zinc/36/26/97/543362697.db2.gz PTNQCFFVQKJWLC-CJNGLKHVSA-N 2 2 258.409 3.093 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768046 543363233 /nfs/dbraw/zinc/36/32/33/543363233.db2.gz WGBPKUSPNKEWEQ-FGTMMUONSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675768046 543363234 /nfs/dbraw/zinc/36/32/34/543363234.db2.gz WGBPKUSPNKEWEQ-FGTMMUONSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478707 543398917 /nfs/dbraw/zinc/39/89/17/543398917.db2.gz WGCWQXSRFZIDSV-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676478707 543398921 /nfs/dbraw/zinc/39/89/21/543398921.db2.gz WGCWQXSRFZIDSV-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490260 543399484 /nfs/dbraw/zinc/39/94/84/543399484.db2.gz PFJWZXKDBMJEMZ-MAUKXSAKSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490260 543399486 /nfs/dbraw/zinc/39/94/86/543399486.db2.gz PFJWZXKDBMJEMZ-MAUKXSAKSA-N 2 2 299.462 3.214 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000415076407 286018440 /nfs/dbraw/zinc/01/84/40/286018440.db2.gz BCCCKZWDQNZRIA-DOMZBBRYSA-N 2 2 298.858 3.394 20 0 CGADLP Cc1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000678073532 543480899 /nfs/dbraw/zinc/48/08/99/543480899.db2.gz XKBWANYSRWFHJX-CQSZACIVSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000678073532 543480902 /nfs/dbraw/zinc/48/09/02/543480902.db2.gz XKBWANYSRWFHJX-CQSZACIVSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000678073532 543480904 /nfs/dbraw/zinc/48/09/04/543480904.db2.gz XKBWANYSRWFHJX-CQSZACIVSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000678073532 543480906 /nfs/dbraw/zinc/48/09/06/543480906.db2.gz XKBWANYSRWFHJX-CQSZACIVSA-N 2 2 262.397 3.037 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)c[nH+]1 ZINC000678220601 543494778 /nfs/dbraw/zinc/49/47/78/543494778.db2.gz KYCASASFPASUOO-OAHLLOKOSA-N 2 2 297.402 3.086 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)[nH]1 ZINC000678220685 543494803 /nfs/dbraw/zinc/49/48/03/543494803.db2.gz PONUCFJLXNWYJK-OAHLLOKOSA-N 2 2 297.402 3.155 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)c[nH+]1 ZINC000678220597 543495423 /nfs/dbraw/zinc/49/54/23/543495423.db2.gz KYCASASFPASUOO-HNNXBMFYSA-N 2 2 297.402 3.086 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3[nH+]ccn31)CC2 ZINC000678303122 543512700 /nfs/dbraw/zinc/51/27/00/543512700.db2.gz ORJAXIZJWNPPRF-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)n1 ZINC000678411173 543520768 /nfs/dbraw/zinc/52/07/68/543520768.db2.gz IIWULGMQTVEDSQ-CQSZACIVSA-N 2 2 294.402 3.239 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678771967 543556037 /nfs/dbraw/zinc/55/60/37/543556037.db2.gz SFWMWBAZQVUGTC-BJZITVGISA-N 2 2 284.447 3.384 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678771967 543556040 /nfs/dbraw/zinc/55/60/40/543556040.db2.gz SFWMWBAZQVUGTC-BJZITVGISA-N 2 2 284.447 3.384 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424271898 286113449 /nfs/dbraw/zinc/11/34/49/286113449.db2.gz STCPAXQSNHQEFX-OXODIDRGSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424271898 286113450 /nfs/dbraw/zinc/11/34/50/286113450.db2.gz STCPAXQSNHQEFX-OXODIDRGSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955888 543577367 /nfs/dbraw/zinc/57/73/67/543577367.db2.gz FHPNMGWFAFYGNP-SUMWQHHRSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955888 543577369 /nfs/dbraw/zinc/57/73/69/543577369.db2.gz FHPNMGWFAFYGNP-SUMWQHHRSA-N 2 2 276.399 3.003 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443206699 286162458 /nfs/dbraw/zinc/16/24/58/286162458.db2.gz XHWTUTMSBRAYSO-ZOBUZTSGSA-N 2 2 278.440 3.001 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000177179646 287037341 /nfs/dbraw/zinc/03/73/41/287037341.db2.gz AICDTWDLDNJRRJ-TZMCWYRMSA-N 2 2 264.438 3.273 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC(C3CC3)C3CC3)cc2)c[nH+]1 ZINC000088456179 287086699 /nfs/dbraw/zinc/08/66/99/287086699.db2.gz IPGMVABZYCUYNM-UHFFFAOYSA-N 2 2 281.403 3.398 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000067184490 165038827 /nfs/dbraw/zinc/03/88/27/165038827.db2.gz ILOOJAMVRUHZJI-UHFFFAOYSA-N 2 2 281.469 3.015 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000069710609 165055826 /nfs/dbraw/zinc/05/58/26/165055826.db2.gz ODIVMTJBAVTAPB-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CC(C)[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081044177 165159835 /nfs/dbraw/zinc/15/98/35/165159835.db2.gz VDQNUWYJNWINRT-AWEZNQCLSA-N 2 2 257.381 3.254 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCCO1 ZINC000091075200 165255588 /nfs/dbraw/zinc/25/55/88/165255588.db2.gz XATHAJUEYOZDFG-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCCO1 ZINC000091075200 165255591 /nfs/dbraw/zinc/25/55/91/165255591.db2.gz XATHAJUEYOZDFG-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670052 165265850 /nfs/dbraw/zinc/26/58/50/165265850.db2.gz ILEVJJNCOQUUOF-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000091316685 287107508 /nfs/dbraw/zinc/10/75/08/287107508.db2.gz HCWVYGGGAODROY-ZDUSSCGKSA-N 2 2 268.832 3.201 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000091316685 287107510 /nfs/dbraw/zinc/10/75/10/287107510.db2.gz HCWVYGGGAODROY-ZDUSSCGKSA-N 2 2 268.832 3.201 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000430728040 287108398 /nfs/dbraw/zinc/10/83/98/287108398.db2.gz ZFCSUPMVYHZDBE-JJXSEGSLSA-N 2 2 284.513 3.228 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094517874 165352183 /nfs/dbraw/zinc/35/21/83/165352183.db2.gz CLJWXIUFXDTJGM-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094517874 165352186 /nfs/dbraw/zinc/35/21/86/165352186.db2.gz CLJWXIUFXDTJGM-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000094895941 165394922 /nfs/dbraw/zinc/39/49/22/165394922.db2.gz RASFTPOVORYZDP-UHFFFAOYSA-N 2 2 260.425 3.071 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093693262 287118505 /nfs/dbraw/zinc/11/85/05/287118505.db2.gz MJGXBCFJKHTLSA-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093693262 287118507 /nfs/dbraw/zinc/11/85/07/287118507.db2.gz MJGXBCFJKHTLSA-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000112697634 287144152 /nfs/dbraw/zinc/14/41/52/287144152.db2.gz YVEDOTBXKBQYFK-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000112697634 287144154 /nfs/dbraw/zinc/14/41/54/287144154.db2.gz YVEDOTBXKBQYFK-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122996033 287214736 /nfs/dbraw/zinc/21/47/36/287214736.db2.gz ZARGGTMGHSVQKG-YCPHGPKFSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122996033 287214737 /nfs/dbraw/zinc/21/47/37/287214737.db2.gz ZARGGTMGHSVQKG-YCPHGPKFSA-N 2 2 258.409 3.271 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000284508662 196072775 /nfs/dbraw/zinc/07/27/75/196072775.db2.gz VYRZXQGVUHQSIS-RHSMWYFYSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000020127051 171011972 /nfs/dbraw/zinc/01/19/72/171011972.db2.gz QWQLQIXPXAFDOW-GFCCVEGCSA-N 2 2 284.350 3.034 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(F)cc1 ZINC000020186587 171050795 /nfs/dbraw/zinc/05/07/95/171050795.db2.gz FUMNYOBJUCYQID-UHFFFAOYSA-N 2 2 283.350 3.274 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccs1 ZINC000020186631 171050870 /nfs/dbraw/zinc/05/08/70/171050870.db2.gz XZMOIEFUZDIUMN-UHFFFAOYSA-N 2 2 271.389 3.196 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCSc3ccccc32)c[nH+]1 ZINC000020506217 171228166 /nfs/dbraw/zinc/22/81/66/171228166.db2.gz TUODUJZFOFJRHF-CQSZACIVSA-N 2 2 273.405 3.100 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506116 171228327 /nfs/dbraw/zinc/22/83/27/171228327.db2.gz HUOWBKVZAWIWML-CYBMUJFWSA-N 2 2 275.421 3.346 20 0 CGADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000020506121 171228503 /nfs/dbraw/zinc/22/85/03/171228503.db2.gz FYJVBYRSEQVCIT-INIZCTEOSA-N 2 2 257.381 3.404 20 0 CGADLP C[C@H](c1cccnc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285645027 196353713 /nfs/dbraw/zinc/35/37/13/196353713.db2.gz LYTRVPAMAQRVIM-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1cccnc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285645027 196353715 /nfs/dbraw/zinc/35/37/15/196353715.db2.gz LYTRVPAMAQRVIM-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285645027 196353716 /nfs/dbraw/zinc/35/37/16/196353716.db2.gz LYTRVPAMAQRVIM-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285645027 196353718 /nfs/dbraw/zinc/35/37/18/196353718.db2.gz LYTRVPAMAQRVIM-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000285652546 196356817 /nfs/dbraw/zinc/35/68/17/196356817.db2.gz SLNDQGSSZQPPLW-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285652546 196356818 /nfs/dbraw/zinc/35/68/18/196356818.db2.gz SLNDQGSSZQPPLW-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249310 173062495 /nfs/dbraw/zinc/06/24/95/173062495.db2.gz RLBZJADCYTXOTJ-QGZVFWFLSA-N 2 2 269.392 3.323 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+]1CCCCC1 ZINC000038042156 174043985 /nfs/dbraw/zinc/04/39/85/174043985.db2.gz ZDRJGKJONQMICK-ZDUSSCGKSA-N 2 2 272.396 3.097 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040593365 174347742 /nfs/dbraw/zinc/34/77/42/174347742.db2.gz JTELOEQYWMYCBQ-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040593365 174347743 /nfs/dbraw/zinc/34/77/43/174347743.db2.gz JTELOEQYWMYCBQ-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000041119655 174485905 /nfs/dbraw/zinc/48/59/05/174485905.db2.gz XDMCVWOWTWUSGN-IRXDYDNUSA-N 2 2 269.392 3.199 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533899 175062726 /nfs/dbraw/zinc/06/27/26/175062726.db2.gz MTRNNTILLFDTKQ-GJZGRUSLSA-N 2 2 257.381 3.055 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044528009 175192490 /nfs/dbraw/zinc/19/24/90/175192490.db2.gz HJJUUKLXSVISQE-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044528009 175192491 /nfs/dbraw/zinc/19/24/91/175192491.db2.gz HJJUUKLXSVISQE-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC000044539870 175200910 /nfs/dbraw/zinc/20/09/10/175200910.db2.gz GYRUSHGOKAIVNR-KRWDZBQOSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC000044539870 175200912 /nfs/dbraw/zinc/20/09/12/175200912.db2.gz GYRUSHGOKAIVNR-KRWDZBQOSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000128140897 287304385 /nfs/dbraw/zinc/30/43/85/287304385.db2.gz JUZWOPNBABFEMB-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000128140897 287304387 /nfs/dbraw/zinc/30/43/87/287304387.db2.gz JUZWOPNBABFEMB-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP c1ccc(C[C@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000128218700 287306092 /nfs/dbraw/zinc/30/60/92/287306092.db2.gz FTQYYLMSHGLCCK-SFHVURJKSA-N 2 2 272.436 3.083 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000128609297 287314740 /nfs/dbraw/zinc/31/47/40/287314740.db2.gz RGHYYTTUYCFZEV-SGMGOOAPSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000128609297 287314741 /nfs/dbraw/zinc/31/47/41/287314741.db2.gz RGHYYTTUYCFZEV-SGMGOOAPSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000063188569 416486737 /nfs/dbraw/zinc/48/67/37/416486737.db2.gz QJJIRTXYLFQARD-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000063188569 416486742 /nfs/dbraw/zinc/48/67/42/416486742.db2.gz QJJIRTXYLFQARD-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000134095634 416516654 /nfs/dbraw/zinc/51/66/54/416516654.db2.gz KCJBJEYBXXBJKX-JSGCOSHPSA-N 2 2 286.341 3.265 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000134095634 416516660 /nfs/dbraw/zinc/51/66/60/416516660.db2.gz KCJBJEYBXXBJKX-JSGCOSHPSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000679039604 543586205 /nfs/dbraw/zinc/58/62/05/543586205.db2.gz SCQHTTPJFIMFON-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000679039604 543586208 /nfs/dbraw/zinc/58/62/08/543586208.db2.gz SCQHTTPJFIMFON-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)c(C)o1 ZINC000179421505 224651128 /nfs/dbraw/zinc/65/11/28/224651128.db2.gz GFMMVXFQLIMZMV-GFCCVEGCSA-N 2 2 269.348 3.395 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000129733975 287338173 /nfs/dbraw/zinc/33/81/73/287338173.db2.gz JPJNUSOJHJSWRR-CYBMUJFWSA-N 2 2 278.465 3.373 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129858729 287340272 /nfs/dbraw/zinc/34/02/72/287340272.db2.gz QQOKTLQLMXPMSZ-STQMWFEESA-N 2 2 280.378 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129858729 287340273 /nfs/dbraw/zinc/34/02/73/287340273.db2.gz QQOKTLQLMXPMSZ-STQMWFEESA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679216029 543600441 /nfs/dbraw/zinc/60/04/41/543600441.db2.gz RPPSFQURFIYBOH-ZIAGYGMSSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679216029 543600444 /nfs/dbraw/zinc/60/04/44/543600444.db2.gz RPPSFQURFIYBOH-ZIAGYGMSSA-N 2 2 296.374 3.422 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386452 543631461 /nfs/dbraw/zinc/63/14/61/543631461.db2.gz NDGHARREWGMSOJ-ROUUACIJSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386452 543631463 /nfs/dbraw/zinc/63/14/63/543631463.db2.gz NDGHARREWGMSOJ-ROUUACIJSA-N 2 2 288.410 3.445 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000681052199 543761259 /nfs/dbraw/zinc/76/12/59/543761259.db2.gz RYZYINBKJSDVEC-HNNXBMFYSA-N 2 2 294.402 3.239 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)CCCCO)[NH+](C)C ZINC000682378000 543838154 /nfs/dbraw/zinc/83/81/54/543838154.db2.gz BZXJXSSLPYVKLY-RYRKJORJSA-N 2 2 292.467 3.127 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693687 543932681 /nfs/dbraw/zinc/93/26/81/543932681.db2.gz BDKKVDUNTBJGOF-UKRRQHHQSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693687 543932682 /nfs/dbraw/zinc/93/26/82/543932682.db2.gz BDKKVDUNTBJGOF-UKRRQHHQSA-N 2 2 278.465 3.286 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccc4cnccc4c3)CC2)[nH+]1 ZINC000683829769 543946693 /nfs/dbraw/zinc/94/66/93/543946693.db2.gz DKCHQEJIQMMOPU-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000685452071 544072049 /nfs/dbraw/zinc/07/20/49/544072049.db2.gz SLIHISGUGBQVJY-UHFFFAOYSA-N 2 2 268.470 3.429 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000685452071 544072052 /nfs/dbraw/zinc/07/20/52/544072052.db2.gz SLIHISGUGBQVJY-UHFFFAOYSA-N 2 2 268.470 3.429 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000685463041 544075716 /nfs/dbraw/zinc/07/57/16/544075716.db2.gz HNXKKXRQJQXXFN-GWQWAINWSA-N 2 2 285.366 3.062 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000685463041 544075718 /nfs/dbraw/zinc/07/57/18/544075718.db2.gz HNXKKXRQJQXXFN-GWQWAINWSA-N 2 2 285.366 3.062 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000685476389 544079674 /nfs/dbraw/zinc/07/96/74/544079674.db2.gz OLKHHPYZHUWFMH-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000685476389 544079676 /nfs/dbraw/zinc/07/96/76/544079676.db2.gz OLKHHPYZHUWFMH-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000684954307 544043678 /nfs/dbraw/zinc/04/36/78/544043678.db2.gz YTDDAWGHMNXGBO-BRWVUGGUSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000684954307 544043679 /nfs/dbraw/zinc/04/36/79/544043679.db2.gz YTDDAWGHMNXGBO-BRWVUGGUSA-N 2 2 287.451 3.100 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000685615803 544089292 /nfs/dbraw/zinc/08/92/92/544089292.db2.gz VFCLLNSWLGZHLS-RRQGHBQHSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000685615803 544089293 /nfs/dbraw/zinc/08/92/93/544089293.db2.gz VFCLLNSWLGZHLS-RRQGHBQHSA-N 2 2 262.441 3.053 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCO[C@H](C(C)C)C2)c[nH+]1 ZINC000354795435 227117631 /nfs/dbraw/zinc/11/76/31/227117631.db2.gz WFUKKGIDWKRTGT-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCO[C@H](C(C)C)C2)c[nH+]1 ZINC000354795435 227117637 /nfs/dbraw/zinc/11/76/37/227117637.db2.gz WFUKKGIDWKRTGT-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355774 418956068 /nfs/dbraw/zinc/95/60/68/418956068.db2.gz HKGUISMNMJDEJW-DZGCQCFKSA-N 2 2 295.496 3.435 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355774 418956073 /nfs/dbraw/zinc/95/60/73/418956073.db2.gz HKGUISMNMJDEJW-DZGCQCFKSA-N 2 2 295.496 3.435 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659856941 419014768 /nfs/dbraw/zinc/01/47/68/419014768.db2.gz DXSIEDQUYPXLQH-OWCLPIDISA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@H]1CCC[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659856941 419014769 /nfs/dbraw/zinc/01/47/69/419014769.db2.gz DXSIEDQUYPXLQH-OWCLPIDISA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659856941 419014771 /nfs/dbraw/zinc/01/47/71/419014771.db2.gz DXSIEDQUYPXLQH-OWCLPIDISA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659856941 419014772 /nfs/dbraw/zinc/01/47/72/419014772.db2.gz DXSIEDQUYPXLQH-OWCLPIDISA-N 2 2 252.446 3.085 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653558404 419048866 /nfs/dbraw/zinc/04/88/66/419048866.db2.gz AGVJDKBZNOWRFM-CYBMUJFWSA-N 2 2 287.382 3.111 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653558404 419048868 /nfs/dbraw/zinc/04/88/68/419048868.db2.gz AGVJDKBZNOWRFM-CYBMUJFWSA-N 2 2 287.382 3.111 20 0 CGADLP CCC(CC)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000660148180 419088438 /nfs/dbraw/zinc/08/84/38/419088438.db2.gz MQTURFGMFDCIDB-UHFFFAOYSA-N 2 2 261.413 3.394 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cscn1 ZINC000665240346 419088507 /nfs/dbraw/zinc/08/85/07/419088507.db2.gz IRHSXSOGQAKUCA-AGIUHOORSA-N 2 2 267.442 3.105 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nsc2ccccc12 ZINC000660148402 419088874 /nfs/dbraw/zinc/08/88/74/419088874.db2.gz VELSZCLXHJENST-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nsc2ccccc12 ZINC000660148402 419088879 /nfs/dbraw/zinc/08/88/79/419088879.db2.gz VELSZCLXHJENST-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762911 419090994 /nfs/dbraw/zinc/09/09/94/419090994.db2.gz ZTGWQVKQGVVMEC-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655772901 419093000 /nfs/dbraw/zinc/09/30/00/419093000.db2.gz NJQUPVAVHKPNHW-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C ZINC000655858239 419124486 /nfs/dbraw/zinc/12/44/86/419124486.db2.gz XFFBGTUXDJZKPF-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C ZINC000655858239 419124489 /nfs/dbraw/zinc/12/44/89/419124489.db2.gz XFFBGTUXDJZKPF-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275244 419098728 /nfs/dbraw/zinc/09/87/28/419098728.db2.gz GFRGHZYXPAGTSF-BXUZGUMPSA-N 2 2 286.341 3.025 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000665277347 419099487 /nfs/dbraw/zinc/09/94/87/419099487.db2.gz ZHTBWVHVZSNTKI-NAUIOFCNSA-N 2 2 285.218 3.396 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc2c1 ZINC000665280057 419101283 /nfs/dbraw/zinc/10/12/83/419101283.db2.gz RZYCSTHPQJMSED-SFYCDEOASA-N 2 2 270.376 3.144 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665295340 419109506 /nfs/dbraw/zinc/10/95/06/419109506.db2.gz CGCCYTOIAYYJFP-NEPJUHHUSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000665296649 419110444 /nfs/dbraw/zinc/11/04/44/419110444.db2.gz VXQFMUQUUPINBD-CHWSQXEVSA-N 2 2 266.454 3.446 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000665296661 419110544 /nfs/dbraw/zinc/11/05/44/419110544.db2.gz WCAPZHVVBUQNMZ-CHWSQXEVSA-N 2 2 260.381 3.308 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000665298122 419110562 /nfs/dbraw/zinc/11/05/62/419110562.db2.gz SCOQTTHHKVNFNQ-HNAYVOBHSA-N 2 2 298.430 3.177 20 0 CGADLP C[C@H](Cc1ccccn1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000655843858 419116179 /nfs/dbraw/zinc/11/61/79/419116179.db2.gz NKAUKBSNQGJPKP-CYBMUJFWSA-N 2 2 298.415 3.050 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848670 419119010 /nfs/dbraw/zinc/11/90/10/419119010.db2.gz JUSPRRCCGHJKPP-JHJVBQTASA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848670 419119015 /nfs/dbraw/zinc/11/90/15/419119015.db2.gz JUSPRRCCGHJKPP-JHJVBQTASA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC1(C)C ZINC000655849686 419120108 /nfs/dbraw/zinc/12/01/08/419120108.db2.gz YDGGKXITUMFGMR-BYNSBNAKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC1(C)C ZINC000655849686 419120109 /nfs/dbraw/zinc/12/01/09/419120109.db2.gz YDGGKXITUMFGMR-BYNSBNAKSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000655850223 419121073 /nfs/dbraw/zinc/12/10/73/419121073.db2.gz FNUXOVZMFMQCTL-YESZJQIVSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000655850223 419121075 /nfs/dbraw/zinc/12/10/75/419121075.db2.gz FNUXOVZMFMQCTL-YESZJQIVSA-N 2 2 273.424 3.139 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH]1 ZINC000659999126 419059982 /nfs/dbraw/zinc/05/99/82/419059982.db2.gz NWMXCIJSTRWFFX-VHDGCEQUSA-N 2 2 259.397 3.025 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CCC1 ZINC000660065462 419069854 /nfs/dbraw/zinc/06/98/54/419069854.db2.gz WNGRECUJYRTXRO-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CCC1 ZINC000660065462 419069857 /nfs/dbraw/zinc/06/98/57/419069857.db2.gz WNGRECUJYRTXRO-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660076059 419070690 /nfs/dbraw/zinc/07/06/90/419070690.db2.gz FMXFVBFXMVIOQS-LXTVHRRPSA-N 2 2 259.397 3.025 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660076059 419070693 /nfs/dbraw/zinc/07/06/93/419070693.db2.gz FMXFVBFXMVIOQS-LXTVHRRPSA-N 2 2 259.397 3.025 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655712325 419073260 /nfs/dbraw/zinc/07/32/60/419073260.db2.gz QYMWNXIRMRLFII-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655712325 419073265 /nfs/dbraw/zinc/07/32/65/419073265.db2.gz QYMWNXIRMRLFII-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP Fc1cc2c(cc1F)C[NH+](CCCC1CC[NH2+]CC1)C2 ZINC000655948072 419129619 /nfs/dbraw/zinc/12/96/19/419129619.db2.gz XHXSHSZZLIULHQ-UHFFFAOYSA-N 2 2 280.362 3.060 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000656224942 419154647 /nfs/dbraw/zinc/15/46/47/419154647.db2.gz AYESWTWMWLYEGC-HUUCEWRRSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000656224942 419154650 /nfs/dbraw/zinc/15/46/50/419154650.db2.gz AYESWTWMWLYEGC-HUUCEWRRSA-N 2 2 286.423 3.091 20 0 CGADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000656261646 419159979 /nfs/dbraw/zinc/15/99/79/419159979.db2.gz LTZUTKOFVVLXDK-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CCn3c[nH+]cc3C2)cc1C ZINC000660582087 419166315 /nfs/dbraw/zinc/16/63/15/419166315.db2.gz LADGAJREUXEAER-UHFFFAOYSA-N 2 2 287.432 3.108 20 0 CGADLP Cc1ccc(SCC[N@H+]2CCn3c[nH+]cc3C2)cc1C ZINC000660582087 419166319 /nfs/dbraw/zinc/16/63/19/419166319.db2.gz LADGAJREUXEAER-UHFFFAOYSA-N 2 2 287.432 3.108 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654532 419176016 /nfs/dbraw/zinc/17/60/16/419176016.db2.gz GXHWIBVUGYYDQP-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654532 419176019 /nfs/dbraw/zinc/17/60/19/419176019.db2.gz GXHWIBVUGYYDQP-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654532 419176022 /nfs/dbraw/zinc/17/60/22/419176022.db2.gz GXHWIBVUGYYDQP-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654532 419176024 /nfs/dbraw/zinc/17/60/24/419176024.db2.gz GXHWIBVUGYYDQP-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1C[C@H]1C ZINC000666094269 419189720 /nfs/dbraw/zinc/18/97/20/419189720.db2.gz SOJNWGJAZCJKTD-OHFALNGGSA-N 2 2 283.419 3.338 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655936310 419128359 /nfs/dbraw/zinc/12/83/59/419128359.db2.gz DCUIMTIKRKGVFT-WBMJQRKESA-N 2 2 282.378 3.099 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655936310 419128362 /nfs/dbraw/zinc/12/83/62/419128362.db2.gz DCUIMTIKRKGVFT-WBMJQRKESA-N 2 2 282.378 3.099 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000657334168 419252917 /nfs/dbraw/zinc/25/29/17/419252917.db2.gz OKLNKUZIEPNJDX-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000661375683 419254284 /nfs/dbraw/zinc/25/42/84/419254284.db2.gz PPLFOBOWHVBGKM-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000661375683 419254285 /nfs/dbraw/zinc/25/42/85/419254285.db2.gz PPLFOBOWHVBGKM-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCCCCc1ccccc1)CCC2 ZINC000657344839 419255450 /nfs/dbraw/zinc/25/54/50/419255450.db2.gz DRZCFASIPNHVRX-UHFFFAOYSA-N 2 2 283.419 3.332 20 0 CGADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657376725 419264330 /nfs/dbraw/zinc/26/43/30/419264330.db2.gz IZZAQODSQSWPNA-OAHLLOKOSA-N 2 2 283.419 3.167 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388649 419266908 /nfs/dbraw/zinc/26/69/08/419266908.db2.gz MPYZQHCUCMZEDH-SGTLLEGYSA-N 2 2 299.393 3.382 20 0 CGADLP Cc1occc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000666281769 419205937 /nfs/dbraw/zinc/20/59/37/419205937.db2.gz KOIIFAFDSKTXCX-KRWDZBQOSA-N 2 2 295.386 3.395 20 0 CGADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000656784600 419217999 /nfs/dbraw/zinc/21/79/99/419217999.db2.gz FFWMLUKYIKRFCS-DOTOQJQBSA-N 2 2 260.425 3.166 20 0 CGADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000656784600 419218002 /nfs/dbraw/zinc/21/80/02/419218002.db2.gz FFWMLUKYIKRFCS-DOTOQJQBSA-N 2 2 260.425 3.166 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(Cl)cc2Cl)n1C ZINC000657285186 419242323 /nfs/dbraw/zinc/24/23/23/419242323.db2.gz YHDWOIZKTKOCQQ-UHFFFAOYSA-N 2 2 298.217 3.368 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(NCc2[nH+]ccn2C(C)C)c1 ZINC000657419553 419274132 /nfs/dbraw/zinc/27/41/32/419274132.db2.gz MGSSLYMBHWKBFX-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000657444775 419280660 /nfs/dbraw/zinc/28/06/60/419280660.db2.gz MZIFFABZFKKKDK-QGZVFWFLSA-N 2 2 297.446 3.434 20 0 CGADLP Cc1ccccc1C(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657474221 419286903 /nfs/dbraw/zinc/28/69/03/419286903.db2.gz CBZMXIDYPFRGHR-UHFFFAOYSA-N 2 2 269.392 3.163 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657485432 419291269 /nfs/dbraw/zinc/29/12/69/419291269.db2.gz ZKJAFLBNTVUTRL-CYBMUJFWSA-N 2 2 261.413 3.135 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000657525131 419296816 /nfs/dbraw/zinc/29/68/16/419296816.db2.gz TWPCZSDAJSLKEV-AWEZNQCLSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000657525131 419296820 /nfs/dbraw/zinc/29/68/20/419296820.db2.gz TWPCZSDAJSLKEV-AWEZNQCLSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000657523025 419297302 /nfs/dbraw/zinc/29/73/02/419297302.db2.gz CMBLDDIWJXDHEF-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000657523025 419297304 /nfs/dbraw/zinc/29/73/04/419297304.db2.gz CMBLDDIWJXDHEF-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)cc21 ZINC000657527885 419298457 /nfs/dbraw/zinc/29/84/57/419298457.db2.gz ZINZQQUKOWKUNU-OAHLLOKOSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)cc21 ZINC000657527885 419298458 /nfs/dbraw/zinc/29/84/58/419298458.db2.gz ZINZQQUKOWKUNU-OAHLLOKOSA-N 2 2 285.435 3.439 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000661791275 419299143 /nfs/dbraw/zinc/29/91/43/419299143.db2.gz GKEGTBJLOYZDET-UHFFFAOYSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661791275 419299145 /nfs/dbraw/zinc/29/91/45/419299145.db2.gz GKEGTBJLOYZDET-UHFFFAOYSA-N 2 2 287.382 3.014 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657561425 419305020 /nfs/dbraw/zinc/30/50/20/419305020.db2.gz IEPUXZSVRMFQSL-HUUCEWRRSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657561425 419305021 /nfs/dbraw/zinc/30/50/21/419305021.db2.gz IEPUXZSVRMFQSL-HUUCEWRRSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000657564667 419306291 /nfs/dbraw/zinc/30/62/91/419306291.db2.gz YLGOEXIDMTXISL-HZMVEIRTSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000657564667 419306293 /nfs/dbraw/zinc/30/62/93/419306293.db2.gz YLGOEXIDMTXISL-HZMVEIRTSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](C)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657587787 419310774 /nfs/dbraw/zinc/31/07/74/419310774.db2.gz XIYAUNOUEZBUJE-GFCCVEGCSA-N 2 2 263.410 3.460 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657742744 419335634 /nfs/dbraw/zinc/33/56/34/419335634.db2.gz WGQUYWPADSDRPQ-SZMVWBNQSA-N 2 2 287.451 3.182 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657742744 419335637 /nfs/dbraw/zinc/33/56/37/419335637.db2.gz WGQUYWPADSDRPQ-SZMVWBNQSA-N 2 2 287.451 3.182 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657751789 419336443 /nfs/dbraw/zinc/33/64/43/419336443.db2.gz KIIVKHJSORTLPC-NUJGCVRESA-N 2 2 294.483 3.188 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657879587 419400627 /nfs/dbraw/zinc/40/06/27/419400627.db2.gz LREQZRNTCLDRMG-VXGBXAGGSA-N 2 2 262.388 3.130 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657879587 419400633 /nfs/dbraw/zinc/40/06/33/419400633.db2.gz LREQZRNTCLDRMG-VXGBXAGGSA-N 2 2 262.388 3.130 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCSCC1)Cc1ccccc1 ZINC000657818104 419368394 /nfs/dbraw/zinc/36/83/94/419368394.db2.gz SAWRQHUDKROGPX-SJORKVTESA-N 2 2 292.492 3.035 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657831534 419376947 /nfs/dbraw/zinc/37/69/47/419376947.db2.gz AGVPOQMOJKASQB-RYUDHWBXSA-N 2 2 264.404 3.232 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000662277804 419381282 /nfs/dbraw/zinc/38/12/82/419381282.db2.gz XNFUAEYLBCIWCO-DOMZBBRYSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1cccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000662277804 419381284 /nfs/dbraw/zinc/38/12/84/419381284.db2.gz XNFUAEYLBCIWCO-DOMZBBRYSA-N 2 2 296.867 3.116 20 0 CGADLP Cc1ccc(SCC[N@@H+](C)CC(C)(C)[NH3+])cc1C ZINC000662292243 419384922 /nfs/dbraw/zinc/38/49/22/419384922.db2.gz FAHQULITDDZSIG-UHFFFAOYSA-N 2 2 266.454 3.065 20 0 CGADLP Cc1ccc(SCC[N@H+](C)CC(C)(C)[NH3+])cc1C ZINC000662292243 419384927 /nfs/dbraw/zinc/38/49/27/419384927.db2.gz FAHQULITDDZSIG-UHFFFAOYSA-N 2 2 266.454 3.065 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055839 419522970 /nfs/dbraw/zinc/52/29/70/419522970.db2.gz JPFQQWHYGPLPKX-ZFWWWQNUSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055839 419522978 /nfs/dbraw/zinc/52/29/78/419522978.db2.gz JPFQQWHYGPLPKX-ZFWWWQNUSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063470 419536584 /nfs/dbraw/zinc/53/65/84/419536584.db2.gz VREWVUNMURIZOV-ZFWWWQNUSA-N 2 2 292.471 3.296 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063470 419536592 /nfs/dbraw/zinc/53/65/92/419536592.db2.gz VREWVUNMURIZOV-ZFWWWQNUSA-N 2 2 292.471 3.296 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000658077957 419549186 /nfs/dbraw/zinc/54/91/86/419549186.db2.gz SJAYBPDTTWSEJL-IAOVAPTHSA-N 2 2 290.426 3.362 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000658077957 419549192 /nfs/dbraw/zinc/54/91/92/419549192.db2.gz SJAYBPDTTWSEJL-IAOVAPTHSA-N 2 2 290.426 3.362 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)n1C ZINC000663341666 419562772 /nfs/dbraw/zinc/56/27/72/419562772.db2.gz PYMQARAZWUEEDX-KRWDZBQOSA-N 2 2 269.392 3.144 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090394 419563266 /nfs/dbraw/zinc/56/32/66/419563266.db2.gz HCCKDEDXODEZSS-RHSMWYFYSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090394 419563274 /nfs/dbraw/zinc/56/32/74/419563274.db2.gz HCCKDEDXODEZSS-RHSMWYFYSA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000658091691 419564523 /nfs/dbraw/zinc/56/45/23/419564523.db2.gz NCGUTDFFNLHAIS-CGZBRXJRSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000658091691 419564531 /nfs/dbraw/zinc/56/45/31/419564531.db2.gz NCGUTDFFNLHAIS-CGZBRXJRSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090981 419565381 /nfs/dbraw/zinc/56/53/81/419565381.db2.gz JWCCPOKPEGFJLC-JKSUJKDBSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090981 419565383 /nfs/dbraw/zinc/56/53/83/419565383.db2.gz JWCCPOKPEGFJLC-JKSUJKDBSA-N 2 2 275.440 3.241 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287957 419736490 /nfs/dbraw/zinc/73/64/90/419736490.db2.gz PILQHZMGEPEVRK-RDJZCZTQSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287957 419736499 /nfs/dbraw/zinc/73/64/99/419736499.db2.gz PILQHZMGEPEVRK-RDJZCZTQSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000658287951 419738620 /nfs/dbraw/zinc/73/86/20/419738620.db2.gz PFVMRKVNRDFDEU-WMLDXEAASA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000658287951 419738628 /nfs/dbraw/zinc/73/86/28/419738628.db2.gz PFVMRKVNRDFDEU-WMLDXEAASA-N 2 2 278.415 3.221 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000658294784 419742572 /nfs/dbraw/zinc/74/25/72/419742572.db2.gz JSEQOKCBCVQSRS-BBWFWOEESA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000537012305 288511887 /nfs/dbraw/zinc/51/18/87/288511887.db2.gz LDWYPFJWSROGHQ-SJORKVTESA-N 2 2 292.492 3.411 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC000220549076 260129704 /nfs/dbraw/zinc/12/97/04/260129704.db2.gz WQRJFHDOHKWYDU-NLZINVLXSA-N 2 2 260.425 3.266 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000221160024 260151910 /nfs/dbraw/zinc/15/19/10/260151910.db2.gz LYWGJVMULIQQEY-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000221160024 260151912 /nfs/dbraw/zinc/15/19/12/260151912.db2.gz LYWGJVMULIQQEY-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000085379781 260203607 /nfs/dbraw/zinc/20/36/07/260203607.db2.gz UXLFZWCEKREFIX-GVDBMIGSSA-N 2 2 290.451 3.083 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000390585728 262223799 /nfs/dbraw/zinc/22/37/99/262223799.db2.gz MIVYCGWPIJFNDN-ROUUACIJSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000390585728 262223800 /nfs/dbraw/zinc/22/38/00/262223800.db2.gz MIVYCGWPIJFNDN-ROUUACIJSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000033639209 270027204 /nfs/dbraw/zinc/02/72/04/270027204.db2.gz ZMQUBIRTSLCLRD-QAPCUYQASA-N 2 2 268.404 3.468 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037319583 270029310 /nfs/dbraw/zinc/02/93/10/270029310.db2.gz QIKRLLUGWOFKJW-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532771 270036630 /nfs/dbraw/zinc/03/66/30/270036630.db2.gz MMZABOQSTMXRBW-VXGBXAGGSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532771 270036631 /nfs/dbraw/zinc/03/66/31/270036631.db2.gz MMZABOQSTMXRBW-VXGBXAGGSA-N 2 2 284.806 3.472 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685429 270037100 /nfs/dbraw/zinc/03/71/00/270037100.db2.gz MAMFTBMFWUZEEL-CVEARBPZSA-N 2 2 272.436 3.499 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685429 270037101 /nfs/dbraw/zinc/03/71/01/270037101.db2.gz MAMFTBMFWUZEEL-CVEARBPZSA-N 2 2 272.436 3.499 20 0 CGADLP Clc1cccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000044685990 270037236 /nfs/dbraw/zinc/03/72/36/270037236.db2.gz VRZBXPZNTINQAH-OGVSOVDVSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1cccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000044685990 270037238 /nfs/dbraw/zinc/03/72/38/270037238.db2.gz VRZBXPZNTINQAH-OGVSOVDVSA-N 2 2 290.838 3.412 20 0 CGADLP COCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000045018040 270037640 /nfs/dbraw/zinc/03/76/40/270037640.db2.gz VVNHLBDBBLEDBS-MRXNPFEDSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(F)c1F)C[NH+]1CCCCC1 ZINC000107038510 270049398 /nfs/dbraw/zinc/04/93/98/270049398.db2.gz OYDLANNQGHJPIY-CYBMUJFWSA-N 2 2 282.378 3.176 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000250377933 270091415 /nfs/dbraw/zinc/09/14/15/270091415.db2.gz WOAKNOAOLQCASH-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000250377933 270091416 /nfs/dbraw/zinc/09/14/16/270091416.db2.gz WOAKNOAOLQCASH-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[C@](C)(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000322526279 270093876 /nfs/dbraw/zinc/09/38/76/270093876.db2.gz NYQJIHWXZJFCRP-QGZVFWFLSA-N 2 2 287.407 3.085 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977518 270121343 /nfs/dbraw/zinc/12/13/43/270121343.db2.gz PFQROWIMLGVNBB-LSDHHAIUSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977518 270121344 /nfs/dbraw/zinc/12/13/44/270121344.db2.gz PFQROWIMLGVNBB-LSDHHAIUSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000525977518 270121345 /nfs/dbraw/zinc/12/13/45/270121345.db2.gz PFQROWIMLGVNBB-LSDHHAIUSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000525977518 270121346 /nfs/dbraw/zinc/12/13/46/270121346.db2.gz PFQROWIMLGVNBB-LSDHHAIUSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527636845 270130283 /nfs/dbraw/zinc/13/02/83/270130283.db2.gz FCXJLPZFQXMPFL-JVPBZIDWSA-N 2 2 295.430 3.456 20 0 CGADLP Cc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)C(C)C)c1 ZINC000527843123 270139173 /nfs/dbraw/zinc/13/91/73/270139173.db2.gz CKPMEEQLJAVTMS-INIZCTEOSA-N 2 2 257.381 3.178 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527853988 270140020 /nfs/dbraw/zinc/14/00/20/270140020.db2.gz VOMWYMXMVVVFQG-SZMVWBNQSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527853988 270140021 /nfs/dbraw/zinc/14/00/21/270140021.db2.gz VOMWYMXMVVVFQG-SZMVWBNQSA-N 2 2 284.447 3.429 20 0 CGADLP CC[N@H+](C)Cc1cccc(CNc2[nH+]cccc2OC)c1 ZINC000527860437 270140163 /nfs/dbraw/zinc/14/01/63/270140163.db2.gz VTSREHASTHPVQR-UHFFFAOYSA-N 2 2 285.391 3.154 20 0 CGADLP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cccc2OC)c1 ZINC000527860437 270140164 /nfs/dbraw/zinc/14/01/64/270140164.db2.gz VTSREHASTHPVQR-UHFFFAOYSA-N 2 2 285.391 3.154 20 0 CGADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1[nH+]ccc2ccccc21 ZINC000527891212 270142190 /nfs/dbraw/zinc/14/21/90/270142190.db2.gz AJCFHFYYGRMAAM-CQSZACIVSA-N 2 2 269.392 3.013 20 0 CGADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2ccccc21 ZINC000527891212 270142191 /nfs/dbraw/zinc/14/21/91/270142191.db2.gz AJCFHFYYGRMAAM-CQSZACIVSA-N 2 2 269.392 3.013 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527946944 270145953 /nfs/dbraw/zinc/14/59/53/270145953.db2.gz IZVUCFICKIQAIX-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527946944 270145954 /nfs/dbraw/zinc/14/59/54/270145954.db2.gz IZVUCFICKIQAIX-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528004803 270150561 /nfs/dbraw/zinc/15/05/61/270150561.db2.gz XNABYLAPQGJEJS-IIIMJFFVSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528004803 270150562 /nfs/dbraw/zinc/15/05/62/270150562.db2.gz XNABYLAPQGJEJS-IIIMJFFVSA-N 2 2 292.467 3.085 20 0 CGADLP C[N@@H+]1CCC[C@H]1CCNc1[nH+]ccc2ccccc21 ZINC000528054658 270153231 /nfs/dbraw/zinc/15/32/31/270153231.db2.gz RSRJSUYJJYHGPV-AWEZNQCLSA-N 2 2 255.365 3.131 20 0 CGADLP C[N@H+]1CCC[C@H]1CCNc1[nH+]ccc2ccccc21 ZINC000528054658 270153232 /nfs/dbraw/zinc/15/32/32/270153232.db2.gz RSRJSUYJJYHGPV-AWEZNQCLSA-N 2 2 255.365 3.131 20 0 CGADLP C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000528421857 270164869 /nfs/dbraw/zinc/16/48/69/270164869.db2.gz BOIIQCWUEJTPFM-DZGCQCFKSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000528421857 270164870 /nfs/dbraw/zinc/16/48/70/270164870.db2.gz BOIIQCWUEJTPFM-DZGCQCFKSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000528422952 270165178 /nfs/dbraw/zinc/16/51/78/270165178.db2.gz GTLROPQNNACPCY-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000528422952 270165179 /nfs/dbraw/zinc/16/51/79/270165179.db2.gz GTLROPQNNACPCY-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528656827 270169575 /nfs/dbraw/zinc/16/95/75/270169575.db2.gz ULQWUUVYGCITEC-GOSISDBHSA-N 2 2 281.403 3.459 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000529638195 270186421 /nfs/dbraw/zinc/18/64/21/270186421.db2.gz HZRWKGDYCBJDLN-HLLBOEOZSA-N 2 2 258.409 3.348 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529548990 270184127 /nfs/dbraw/zinc/18/41/27/270184127.db2.gz MWIWORIJKGQHOG-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529548990 270184128 /nfs/dbraw/zinc/18/41/28/270184128.db2.gz MWIWORIJKGQHOG-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000530225681 270196463 /nfs/dbraw/zinc/19/64/63/270196463.db2.gz VIUUVHWUVBQWOV-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000530225681 270196464 /nfs/dbraw/zinc/19/64/64/270196464.db2.gz VIUUVHWUVBQWOV-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1F ZINC000530216599 270195600 /nfs/dbraw/zinc/19/56/00/270195600.db2.gz BXJAWRAPRCWQGP-CABCVRRESA-N 2 2 280.362 3.290 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216961 270195612 /nfs/dbraw/zinc/19/56/12/270195612.db2.gz DRFNJNLXGHIPCZ-CZUORRHYSA-N 2 2 258.409 3.184 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530218230 270196014 /nfs/dbraw/zinc/19/60/14/270196014.db2.gz IIADIZSTKPNBDF-HOTGVXAUSA-N 2 2 270.420 3.283 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000531684756 270208704 /nfs/dbraw/zinc/20/87/04/270208704.db2.gz IWBLQDVGNGAVPP-QGZVFWFLSA-N 2 2 287.407 3.413 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000531944610 270210974 /nfs/dbraw/zinc/21/09/74/270210974.db2.gz JMZKBHOKGMLYCA-QGTPRVQTSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000531944610 270210975 /nfs/dbraw/zinc/21/09/75/270210975.db2.gz JMZKBHOKGMLYCA-QGTPRVQTSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423257749 273516529 /nfs/dbraw/zinc/51/65/29/273516529.db2.gz AEACVEGLERIFID-JQWIXIFHSA-N 2 2 286.341 3.054 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCCCC1 ZINC000236698474 287653286 /nfs/dbraw/zinc/65/32/86/287653286.db2.gz FRTVCPXIPMUCLM-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000226170212 274318117 /nfs/dbraw/zinc/31/81/17/274318117.db2.gz CZCHEBNHLFHDLA-VYDXJSESSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H](C)[N@H+]1C ZINC000338794938 274366268 /nfs/dbraw/zinc/36/62/68/274366268.db2.gz MLZUGHQPBKHSRD-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H](C)[N@@H+]1C ZINC000338794938 274366269 /nfs/dbraw/zinc/36/62/69/274366269.db2.gz MLZUGHQPBKHSRD-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590388 275063825 /nfs/dbraw/zinc/06/38/25/275063825.db2.gz SUYIGPUJLUUIHO-MAUKXSAKSA-N 2 2 295.430 3.394 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590388 275063826 /nfs/dbraw/zinc/06/38/26/275063826.db2.gz SUYIGPUJLUUIHO-MAUKXSAKSA-N 2 2 295.430 3.394 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446975865 275069976 /nfs/dbraw/zinc/06/99/76/275069976.db2.gz DMXGBZLSRJFRGZ-PKOBYXMFSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446975865 275069977 /nfs/dbraw/zinc/06/99/77/275069977.db2.gz DMXGBZLSRJFRGZ-PKOBYXMFSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414959560 275070096 /nfs/dbraw/zinc/07/00/96/275070096.db2.gz SNQCNXXRPLKFAX-AZUAARDMSA-N 2 2 292.426 3.021 20 0 CGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000129878051 275070862 /nfs/dbraw/zinc/07/08/62/275070862.db2.gz VYZVWQBHOYWAFA-HNNXBMFYSA-N 2 2 274.433 3.050 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427847498 275677535 /nfs/dbraw/zinc/67/75/35/275677535.db2.gz AGZHLGSHSMZABB-ILXRZTDVSA-N 2 2 261.413 3.002 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100863 276023415 /nfs/dbraw/zinc/02/34/15/276023415.db2.gz IPPKNMOHYMKSLM-JKSUJKDBSA-N 2 2 283.419 3.268 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100863 276023417 /nfs/dbraw/zinc/02/34/17/276023417.db2.gz IPPKNMOHYMKSLM-JKSUJKDBSA-N 2 2 283.419 3.268 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000360249709 276179269 /nfs/dbraw/zinc/17/92/69/276179269.db2.gz MYWWZOYXPMKUPH-NUTKFTJISA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000360249709 276179270 /nfs/dbraw/zinc/17/92/70/276179270.db2.gz MYWWZOYXPMKUPH-NUTKFTJISA-N 2 2 276.399 3.133 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423376302 276221655 /nfs/dbraw/zinc/22/16/55/276221655.db2.gz UVQCBIMXBKXAKU-JFOLYBEZSA-N 2 2 294.389 3.189 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340437913 276222465 /nfs/dbraw/zinc/22/24/65/276222465.db2.gz UJZHJLSDEUEULK-WLIAPVHPSA-N 2 2 250.430 3.028 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340437913 276222467 /nfs/dbraw/zinc/22/24/67/276222467.db2.gz UJZHJLSDEUEULK-WLIAPVHPSA-N 2 2 250.430 3.028 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@@H]1CCCC[C@H]1C ZINC000434984523 276234077 /nfs/dbraw/zinc/23/40/77/276234077.db2.gz ASOMMKHKMSOVEF-ZJPYXAASSA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@@H]1CCCC[C@H]1C ZINC000434984523 276234080 /nfs/dbraw/zinc/23/40/80/276234080.db2.gz ASOMMKHKMSOVEF-ZJPYXAASSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@@H]1CCCC[C@H]1C ZINC000434984523 276234082 /nfs/dbraw/zinc/23/40/82/276234082.db2.gz ASOMMKHKMSOVEF-ZJPYXAASSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@@H]1CCCC[C@H]1C ZINC000434984523 276234084 /nfs/dbraw/zinc/23/40/84/276234084.db2.gz ASOMMKHKMSOVEF-ZJPYXAASSA-N 2 2 294.483 3.140 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423309707 276266486 /nfs/dbraw/zinc/26/64/86/276266486.db2.gz LVCQDLIBPHDMEL-LRDDRELGSA-N 2 2 264.388 3.038 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000191222011 276271797 /nfs/dbraw/zinc/27/17/97/276271797.db2.gz BSRMUCTUACHZFP-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000191222011 276271798 /nfs/dbraw/zinc/27/17/98/276271798.db2.gz BSRMUCTUACHZFP-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000372745706 276363973 /nfs/dbraw/zinc/36/39/73/276363973.db2.gz BFLBYXJOHCFLCD-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000372745706 276363975 /nfs/dbraw/zinc/36/39/75/276363975.db2.gz BFLBYXJOHCFLCD-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000414830609 277274503 /nfs/dbraw/zinc/27/45/03/277274503.db2.gz BCRXIVGVYOAINF-AWEZNQCLSA-N 2 2 295.496 3.438 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccccc1 ZINC000395009302 288004750 /nfs/dbraw/zinc/00/47/50/288004750.db2.gz LAYAVYGLKVTOPQ-BURFUSLBSA-N 2 2 290.451 3.225 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000337559360 278177445 /nfs/dbraw/zinc/17/74/45/278177445.db2.gz UEPLAKVIHGRXJK-OBJOEFQTSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000337559360 278177447 /nfs/dbraw/zinc/17/74/47/278177447.db2.gz UEPLAKVIHGRXJK-OBJOEFQTSA-N 2 2 264.438 3.009 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000494405201 278190928 /nfs/dbraw/zinc/19/09/28/278190928.db2.gz MEFZHHWLLSWGHJ-ZDUSSCGKSA-N 2 2 275.440 3.392 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000515203583 278268948 /nfs/dbraw/zinc/26/89/48/278268948.db2.gz PTCDFJWLDCDVIQ-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000515203583 278268950 /nfs/dbraw/zinc/26/89/50/278268950.db2.gz PTCDFJWLDCDVIQ-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@H+](C)C1CC1 ZINC000367615478 278284743 /nfs/dbraw/zinc/28/47/43/278284743.db2.gz KWHDOORZCWDJCW-XJKSGUPXSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000367615478 278284744 /nfs/dbraw/zinc/28/47/44/278284744.db2.gz KWHDOORZCWDJCW-XJKSGUPXSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC1(C)C ZINC000397800854 288031000 /nfs/dbraw/zinc/03/10/00/288031000.db2.gz RKNLAKOQZGYDOR-NUEKZKHPSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC1(C)C ZINC000397800850 288031101 /nfs/dbraw/zinc/03/11/01/288031101.db2.gz RKNLAKOQZGYDOR-IMJJTQAJSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398007347 288037105 /nfs/dbraw/zinc/03/71/05/288037105.db2.gz WTCMANYDLHBXDJ-MRXNPFEDSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397924387 288034989 /nfs/dbraw/zinc/03/49/89/288034989.db2.gz BBIDDNJRHMJUBB-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397924387 288034992 /nfs/dbraw/zinc/03/49/92/288034992.db2.gz BBIDDNJRHMJUBB-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340477848 278345633 /nfs/dbraw/zinc/34/56/33/278345633.db2.gz YGEXVSYODQQYKQ-RBSFLKMASA-N 2 2 293.430 3.239 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422926185 278386226 /nfs/dbraw/zinc/38/62/26/278386226.db2.gz CRKHRPWKYZVRHO-SNPRPXQTSA-N 2 2 276.449 3.344 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2sccc21 ZINC000423230196 278588412 /nfs/dbraw/zinc/58/84/12/278588412.db2.gz CWIRZFKUXGDQIF-NQBHXWOUSA-N 2 2 250.411 3.028 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453106605 288075734 /nfs/dbraw/zinc/07/57/34/288075734.db2.gz HIZWTXLKYSLBAL-QGZVFWFLSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232207 278867405 /nfs/dbraw/zinc/86/74/05/278867405.db2.gz HUYSAOJKXLDDJC-DYVFJYSZSA-N 2 2 283.419 3.195 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343558619 279011616 /nfs/dbraw/zinc/01/16/16/279011616.db2.gz BPPKFDJPMQOUKX-ZIAGYGMSSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343558619 279011617 /nfs/dbraw/zinc/01/16/17/279011617.db2.gz BPPKFDJPMQOUKX-ZIAGYGMSSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000359709794 279013734 /nfs/dbraw/zinc/01/37/34/279013734.db2.gz BIIXVWXXRZECAZ-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cs1 ZINC000355054063 279107937 /nfs/dbraw/zinc/10/79/37/279107937.db2.gz CIGUWOBNFJTWKO-LBPRGKRZSA-N 2 2 281.469 3.224 20 0 CGADLP CC[NH+](CC)[C@@H](C)CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353597128 279145465 /nfs/dbraw/zinc/14/54/65/279145465.db2.gz RUWXEYUWXRLYFZ-HOCLYGCPSA-N 2 2 292.471 3.351 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430604229 288154209 /nfs/dbraw/zinc/15/42/09/288154209.db2.gz PTBDHEGRFXEWIY-MLGOLLRUSA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430604229 288154212 /nfs/dbraw/zinc/15/42/12/288154212.db2.gz PTBDHEGRFXEWIY-MLGOLLRUSA-N 2 2 282.378 3.347 20 0 CGADLP CCc1ccc([C@H](C[NH2+]Cc2ccnc(C)c2)[NH+](C)C)cc1 ZINC000527628430 288176706 /nfs/dbraw/zinc/17/67/06/288176706.db2.gz AIRRHDURAJJJBD-IBGZPJMESA-N 2 2 297.446 3.345 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3cc[nH]c3c1)CCC2 ZINC000527667380 288186253 /nfs/dbraw/zinc/18/62/53/288186253.db2.gz TUZAXOPHAMDVEL-INIZCTEOSA-N 2 2 294.402 3.340 20 0 CGADLP Clc1cnccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000527668301 288186565 /nfs/dbraw/zinc/18/65/65/288186565.db2.gz BAKXQZLWHQZGQI-UHFFFAOYSA-N 2 2 293.842 3.232 20 0 CGADLP c1cc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2[nH]1 ZINC000527723931 288192822 /nfs/dbraw/zinc/19/28/22/288192822.db2.gz CTDYNSSYIMJBQJ-SJLPKXTDSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2[nH]1 ZINC000527723931 288192824 /nfs/dbraw/zinc/19/28/24/288192824.db2.gz CTDYNSSYIMJBQJ-SJLPKXTDSA-N 2 2 283.419 3.274 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000527852707 288198027 /nfs/dbraw/zinc/19/80/27/288198027.db2.gz OOEXFXMERIEQSE-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000527852707 288198029 /nfs/dbraw/zinc/19/80/29/288198029.db2.gz OOEXFXMERIEQSE-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000348186980 280992710 /nfs/dbraw/zinc/99/27/10/280992710.db2.gz NPBZFGQFDHRIGH-AEFFLSMTSA-N 2 2 281.403 3.247 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000352579940 281124593 /nfs/dbraw/zinc/12/45/93/281124593.db2.gz HMSYSXSBPFKDLC-GDIGMMSISA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000352579940 281124596 /nfs/dbraw/zinc/12/45/96/281124596.db2.gz HMSYSXSBPFKDLC-GDIGMMSISA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427897467 281126481 /nfs/dbraw/zinc/12/64/81/281126481.db2.gz YBUOOZOCDPOPPC-DOTOQJQBSA-N 2 2 281.403 3.174 20 0 CGADLP c1ccc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530177920 288295522 /nfs/dbraw/zinc/29/55/22/288295522.db2.gz LSMGGIIBDVZEJP-KRWDZBQOSA-N 2 2 266.388 3.214 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179268 288296154 /nfs/dbraw/zinc/29/61/54/288296154.db2.gz SDMKPTHBFGVUAD-OAHLLOKOSA-N 2 2 278.827 3.331 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361968010 281270112 /nfs/dbraw/zinc/27/01/12/281270112.db2.gz YDXDRSSGAWMEDN-IRXDYDNUSA-N 2 2 290.476 3.009 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531729162 288344897 /nfs/dbraw/zinc/34/48/97/288344897.db2.gz JELZHGKCHNCEJG-WBVHZDCISA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531729162 288344899 /nfs/dbraw/zinc/34/48/99/288344899.db2.gz JELZHGKCHNCEJG-WBVHZDCISA-N 2 2 288.435 3.140 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000531728508 288343788 /nfs/dbraw/zinc/34/37/88/288343788.db2.gz CGRHEZPKQHTXBG-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000531728508 288343790 /nfs/dbraw/zinc/34/37/90/288343790.db2.gz CGRHEZPKQHTXBG-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531729358 288344832 /nfs/dbraw/zinc/34/48/32/288344832.db2.gz UGYAMPOPWMUADH-HOCLYGCPSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531729358 288344835 /nfs/dbraw/zinc/34/48/35/288344835.db2.gz UGYAMPOPWMUADH-HOCLYGCPSA-N 2 2 260.425 3.296 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532193088 288354468 /nfs/dbraw/zinc/35/44/68/288354468.db2.gz OGIZAIXZCDKRNK-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532193088 288354471 /nfs/dbraw/zinc/35/44/71/288354471.db2.gz OGIZAIXZCDKRNK-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000532200785 288355064 /nfs/dbraw/zinc/35/50/64/288355064.db2.gz HFGSYXVYFXBSEG-QPSCCSFWSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000532200785 288355065 /nfs/dbraw/zinc/35/50/65/288355065.db2.gz HFGSYXVYFXBSEG-QPSCCSFWSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000532200784 288355171 /nfs/dbraw/zinc/35/51/71/288355171.db2.gz HFGSYXVYFXBSEG-KBXIAJHMSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000532200784 288355173 /nfs/dbraw/zinc/35/51/73/288355173.db2.gz HFGSYXVYFXBSEG-KBXIAJHMSA-N 2 2 252.446 3.131 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000532442626 288361129 /nfs/dbraw/zinc/36/11/29/288361129.db2.gz WSXZNHRFRPFJAW-SFHVURJKSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CCC[NH+]2C[C@H](C)S[C@@H](C)C2)c[nH+]1 ZINC000548653779 289014647 /nfs/dbraw/zinc/01/46/47/289014647.db2.gz KYUJTSCVXAZIDC-KBPBESRZSA-N 2 2 264.438 3.148 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000548885154 289028042 /nfs/dbraw/zinc/02/80/42/289028042.db2.gz OGPQZGZOCRQLJZ-RCCFBDPRSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c1 ZINC000549471402 289044674 /nfs/dbraw/zinc/04/46/74/289044674.db2.gz LFUIJPHCBBSFBK-QGZVFWFLSA-N 2 2 285.435 3.401 20 0 CGADLP CC(C)C(C[NH2+]Cc1c[nH+]c2n1CCCC2)C(C)C ZINC000551228183 289102979 /nfs/dbraw/zinc/10/29/79/289102979.db2.gz WYLMVBUSJUTNMY-UHFFFAOYSA-N 2 2 263.429 3.237 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000551533030 289120497 /nfs/dbraw/zinc/12/04/97/289120497.db2.gz IYPMTVJAMZEUOF-BMGDILEWSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000551533030 289120500 /nfs/dbraw/zinc/12/05/00/289120500.db2.gz IYPMTVJAMZEUOF-BMGDILEWSA-N 2 2 290.451 3.117 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)CCCC2 ZINC000551580491 289123563 /nfs/dbraw/zinc/12/35/63/289123563.db2.gz LZQDUOYTYZJAAS-NVXWUHKLSA-N 2 2 281.403 3.113 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000551581189 289123930 /nfs/dbraw/zinc/12/39/30/289123930.db2.gz BFDJMFNMYQUVFY-YJBOKZPZSA-N 2 2 288.435 3.244 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000552051783 289155707 /nfs/dbraw/zinc/15/57/07/289155707.db2.gz GJLDWWIWIJFPPW-PMPSAXMXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000552051783 289155709 /nfs/dbraw/zinc/15/57/09/289155709.db2.gz GJLDWWIWIJFPPW-PMPSAXMXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000552252785 289176006 /nfs/dbraw/zinc/17/60/06/289176006.db2.gz XPRZMOYGZPAONY-WBVHZDCISA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000552252785 289176009 /nfs/dbraw/zinc/17/60/09/289176009.db2.gz XPRZMOYGZPAONY-WBVHZDCISA-N 2 2 260.425 3.378 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281887 289266387 /nfs/dbraw/zinc/26/63/87/289266387.db2.gz RDBIPHDJVHEREU-QZWWFDLISA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281887 289266391 /nfs/dbraw/zinc/26/63/91/289266391.db2.gz RDBIPHDJVHEREU-QZWWFDLISA-N 2 2 264.457 3.371 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554347876 289273007 /nfs/dbraw/zinc/27/30/07/289273007.db2.gz XWNAQYIMXJVYTR-IAGOWNOFSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000555564345 289349905 /nfs/dbraw/zinc/34/99/05/289349905.db2.gz MNALMPCMAWAZTA-BLLLJJGKSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000555564345 289349906 /nfs/dbraw/zinc/34/99/06/289349906.db2.gz MNALMPCMAWAZTA-BLLLJJGKSA-N 2 2 278.827 3.221 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556608615 289400747 /nfs/dbraw/zinc/40/07/47/289400747.db2.gz IXUFSZUXBNQXOX-AWEZNQCLSA-N 2 2 299.418 3.469 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129340 290017056 /nfs/dbraw/zinc/01/70/56/290017056.db2.gz BRXABGALLTUZGA-CTASWTNQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129340 290017059 /nfs/dbraw/zinc/01/70/59/290017059.db2.gz BRXABGALLTUZGA-CTASWTNQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000423123788 290026947 /nfs/dbraw/zinc/02/69/47/290026947.db2.gz NIVDVTJPNMUIOT-INTQDDNPSA-N 2 2 270.829 3.119 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259251 290230118 /nfs/dbraw/zinc/23/01/18/290230118.db2.gz YBGGVVBDBGIYLR-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259251 290230121 /nfs/dbraw/zinc/23/01/21/290230121.db2.gz YBGGVVBDBGIYLR-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP COC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000128121159 293153694 /nfs/dbraw/zinc/15/36/94/293153694.db2.gz KRBQTAKUGURZOU-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414933225 295348244 /nfs/dbraw/zinc/34/82/44/295348244.db2.gz UDHAUQWBDOBJHW-SKHCZCESSA-N 2 2 288.435 3.076 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000442862022 303122098 /nfs/dbraw/zinc/12/20/98/303122098.db2.gz NRMVONDSCIKXKJ-PIMMBPRGSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000442862022 303122100 /nfs/dbraw/zinc/12/21/00/303122100.db2.gz NRMVONDSCIKXKJ-PIMMBPRGSA-N 2 2 286.410 3.417 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423239080 303136936 /nfs/dbraw/zinc/13/69/36/303136936.db2.gz RUBKGYHIKBDLPC-RHSMWYFYSA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000580844970 327777715 /nfs/dbraw/zinc/77/77/15/327777715.db2.gz SNVXFZKICUVBDF-CQSZACIVSA-N 2 2 289.448 3.389 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000152591780 321702254 /nfs/dbraw/zinc/70/22/54/321702254.db2.gz SHRHOEOGYPNQQG-CQSZACIVSA-N 2 2 262.441 3.283 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000563622555 322004401 /nfs/dbraw/zinc/00/44/01/322004401.db2.gz HFROSYZXUTWSCX-KURKYZTESA-N 2 2 290.426 3.174 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000563622555 322004402 /nfs/dbraw/zinc/00/44/02/322004402.db2.gz HFROSYZXUTWSCX-KURKYZTESA-N 2 2 290.426 3.174 20 0 CGADLP [NH3+]C1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000564969389 322051934 /nfs/dbraw/zinc/05/19/34/322051934.db2.gz JZEFAVCRCXYGQS-UHFFFAOYSA-N 2 2 279.453 3.114 20 0 CGADLP CCC(CC)[C@H](CNCc1[nH]c(C)c(C)[nH+]1)[NH+]1CCCC1 ZINC000565671694 322086502 /nfs/dbraw/zinc/08/65/02/322086502.db2.gz PYEPOBKFBQJZAI-INIZCTEOSA-N 2 2 292.471 3.017 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566797907 322138318 /nfs/dbraw/zinc/13/83/18/322138318.db2.gz QMBFQVUBDVLZPF-IRXDYDNUSA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566797907 322138319 /nfs/dbraw/zinc/13/83/19/322138319.db2.gz QMBFQVUBDVLZPF-IRXDYDNUSA-N 2 2 294.389 3.491 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000567364306 322160614 /nfs/dbraw/zinc/16/06/14/322160614.db2.gz GCNZGEFKUGJMMR-OAHLLOKOSA-N 2 2 289.448 3.497 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000567364306 322160616 /nfs/dbraw/zinc/16/06/16/322160616.db2.gz GCNZGEFKUGJMMR-OAHLLOKOSA-N 2 2 289.448 3.497 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567872041 322181303 /nfs/dbraw/zinc/18/13/03/322181303.db2.gz ZFYNREINDGUJSP-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567872041 322181305 /nfs/dbraw/zinc/18/13/05/322181305.db2.gz ZFYNREINDGUJSP-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CC3)s2)CCCCCC1 ZINC000569329905 322243613 /nfs/dbraw/zinc/24/36/13/322243613.db2.gz XAWFDEJDCZOWCH-UHFFFAOYSA-N 2 2 279.453 3.162 20 0 CGADLP CC[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000569447668 322247639 /nfs/dbraw/zinc/24/76/39/322247639.db2.gz LSTXLSCZFDLYTP-CYBMUJFWSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1[NH3+] ZINC000570044326 322263501 /nfs/dbraw/zinc/26/35/01/322263501.db2.gz FGGYCWXLVDSWGX-IUODEOHRSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1[NH3+] ZINC000570044326 322263503 /nfs/dbraw/zinc/26/35/03/322263503.db2.gz FGGYCWXLVDSWGX-IUODEOHRSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000573665472 322399577 /nfs/dbraw/zinc/39/95/77/322399577.db2.gz IRVQFGVPLGOWJG-OBHHBEAMSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000573665472 322399580 /nfs/dbraw/zinc/39/95/80/322399580.db2.gz IRVQFGVPLGOWJG-OBHHBEAMSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(C(C)(C)c3ccccc3)CC2)n1C ZINC000574704260 322453339 /nfs/dbraw/zinc/45/33/39/322453339.db2.gz LTKJYQCRQATPRQ-UHFFFAOYSA-N 2 2 283.419 3.329 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000178573517 327290669 /nfs/dbraw/zinc/29/06/69/327290669.db2.gz IOVGAJPTLYGINM-AWEZNQCLSA-N 2 2 252.402 3.442 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2o1 ZINC000582540458 329108865 /nfs/dbraw/zinc/10/88/65/329108865.db2.gz IRMVPYJUPFHQMV-RDTXWAMCSA-N 2 2 294.398 3.481 20 0 CGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000342245516 335178718 /nfs/dbraw/zinc/17/87/18/335178718.db2.gz KALJONGESARRCY-OKQSBHACSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000342245516 335178719 /nfs/dbraw/zinc/17/87/19/335178719.db2.gz KALJONGESARRCY-OKQSBHACSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000342245516 335178721 /nfs/dbraw/zinc/17/87/21/335178721.db2.gz KALJONGESARRCY-OKQSBHACSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000342245516 335178723 /nfs/dbraw/zinc/17/87/23/335178723.db2.gz KALJONGESARRCY-OKQSBHACSA-N 2 2 250.430 3.290 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000343072660 335189178 /nfs/dbraw/zinc/18/91/78/335189178.db2.gz QRIGSWZRBJNIMI-DOTOQJQBSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000343072660 335189179 /nfs/dbraw/zinc/18/91/79/335189179.db2.gz QRIGSWZRBJNIMI-DOTOQJQBSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000577043768 335288747 /nfs/dbraw/zinc/28/87/47/335288747.db2.gz VAOUAWUKVMLZSH-RYRKJORJSA-N 2 2 287.451 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000577043768 335288748 /nfs/dbraw/zinc/28/87/48/335288748.db2.gz VAOUAWUKVMLZSH-RYRKJORJSA-N 2 2 287.451 3.039 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000179911252 335531377 /nfs/dbraw/zinc/53/13/77/335531377.db2.gz QTGVGLAPSHZCKY-AWEZNQCLSA-N 2 2 251.418 3.324 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1sccc1Br ZINC000579822365 335893644 /nfs/dbraw/zinc/89/36/44/335893644.db2.gz BLHDMBKGYZVEDG-WCBMZHEXSA-N 2 2 291.258 3.145 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000194842291 336039374 /nfs/dbraw/zinc/03/93/74/336039374.db2.gz AAWPLTRGZUPMJX-QGZVFWFLSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@H]1C ZINC000382075980 336081189 /nfs/dbraw/zinc/08/11/89/336081189.db2.gz UHLNNSAUPQBBHJ-SQDXWYPISA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@H]1C ZINC000382075980 336081190 /nfs/dbraw/zinc/08/11/90/336081190.db2.gz UHLNNSAUPQBBHJ-SQDXWYPISA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000385960539 336163307 /nfs/dbraw/zinc/16/33/07/336163307.db2.gz NWUKTEJHCHRTML-SQDXWYPISA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000385960539 336163308 /nfs/dbraw/zinc/16/33/08/336163308.db2.gz NWUKTEJHCHRTML-SQDXWYPISA-N 2 2 272.436 3.284 20 0 CGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000423364842 533887945 /nfs/dbraw/zinc/88/79/45/533887945.db2.gz JYSDSRQTHPQUTE-FZMZJTMJSA-N 2 2 284.831 3.373 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000425365372 533988741 /nfs/dbraw/zinc/98/87/41/533988741.db2.gz YCCJRUYFLQIASY-YESZJQIVSA-N 2 2 290.476 3.135 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000425365372 533988751 /nfs/dbraw/zinc/98/87/51/533988751.db2.gz YCCJRUYFLQIASY-YESZJQIVSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423275950 533995586 /nfs/dbraw/zinc/99/55/86/533995586.db2.gz MJQJQWWYXSIDQU-SMDDNHRTSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422698499 534087376 /nfs/dbraw/zinc/08/73/76/534087376.db2.gz ZOFBHHPOQJOLLL-PBHICJAKSA-N 2 2 288.435 3.096 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000462747758 535821978 /nfs/dbraw/zinc/82/19/78/535821978.db2.gz FMYVHKMLPGXIFE-PMPSAXMXSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C1 ZINC000462747758 535821979 /nfs/dbraw/zinc/82/19/79/535821979.db2.gz FMYVHKMLPGXIFE-PMPSAXMXSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(NCc2c[nH+]cn2C(C)C)c1 ZINC000424158002 534165798 /nfs/dbraw/zinc/16/57/98/534165798.db2.gz OAMZEAWRJSNRLB-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367186228 534431602 /nfs/dbraw/zinc/43/16/02/534431602.db2.gz MKDIKJOORIOHKA-HOCLYGCPSA-N 2 2 293.430 3.270 20 0 CGADLP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000175020778 534437411 /nfs/dbraw/zinc/43/74/11/534437411.db2.gz MRZPGEHGSCSQNW-TXEJJXNPSA-N 2 2 297.830 3.035 20 0 CGADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000175020778 534437414 /nfs/dbraw/zinc/43/74/14/534437414.db2.gz MRZPGEHGSCSQNW-TXEJJXNPSA-N 2 2 297.830 3.035 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360762424 534440253 /nfs/dbraw/zinc/44/02/53/534440253.db2.gz GLAVDSSMKGBLFY-WVZRYYJFSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360762424 534440263 /nfs/dbraw/zinc/44/02/63/534440263.db2.gz GLAVDSSMKGBLFY-WVZRYYJFSA-N 2 2 276.399 3.002 20 0 CGADLP CCCC(O)(CCC)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290485217 519886522 /nfs/dbraw/zinc/88/65/22/519886522.db2.gz VMGUPPPFHRWJLN-UHFFFAOYSA-N 2 2 278.440 3.244 20 0 CGADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427851018 534490949 /nfs/dbraw/zinc/49/09/49/534490949.db2.gz JMVMGXWBQXCVPN-ULQDDVLXSA-N 2 2 299.393 3.263 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094827134 521579189 /nfs/dbraw/zinc/57/91/89/521579189.db2.gz HASSZECTBAKVOV-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000162251501 534690044 /nfs/dbraw/zinc/69/00/44/534690044.db2.gz HNORHLMLRMGDIS-GFCCVEGCSA-N 2 2 298.365 3.230 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000449048568 534711841 /nfs/dbraw/zinc/71/18/41/534711841.db2.gz PVVOGXCCFGVUTC-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000449048568 534711845 /nfs/dbraw/zinc/71/18/45/534711845.db2.gz PVVOGXCCFGVUTC-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151544503 524875652 /nfs/dbraw/zinc/87/56/52/524875652.db2.gz TYCIIUJVISUPCE-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000358483374 534817232 /nfs/dbraw/zinc/81/72/32/534817232.db2.gz KXXBLVAYWCHPLQ-KBPBESRZSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000358483374 534817243 /nfs/dbraw/zinc/81/72/43/534817243.db2.gz KXXBLVAYWCHPLQ-KBPBESRZSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1ccc(N2CCC(Nc3cccc(C)[nH+]3)CC2)[nH+]c1 ZINC000156411926 524945385 /nfs/dbraw/zinc/94/53/85/524945385.db2.gz QHGOEBHLFBSUNA-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946849 525637276 /nfs/dbraw/zinc/63/72/76/525637276.db2.gz JZPKAMSTYUYVRM-KKUMJFAQSA-N 2 2 287.451 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946849 525637283 /nfs/dbraw/zinc/63/72/83/525637283.db2.gz JZPKAMSTYUYVRM-KKUMJFAQSA-N 2 2 287.451 3.028 20 0 CGADLP CC(C)c1nc(NC[C@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000106462349 534912085 /nfs/dbraw/zinc/91/20/85/534912085.db2.gz WOJOWPVHABZLSY-GFCCVEGCSA-N 2 2 290.436 3.376 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152754725 526397562 /nfs/dbraw/zinc/39/75/62/526397562.db2.gz IQYTTXYOFUTFFR-QGZVFWFLSA-N 2 2 281.403 3.039 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000423236283 527810126 /nfs/dbraw/zinc/81/01/26/527810126.db2.gz NYTUSXXNLHXORL-HUUCEWRRSA-N 2 2 250.386 3.099 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000449256666 527828261 /nfs/dbraw/zinc/82/82/61/527828261.db2.gz FFBNGBNNBNGQHT-BZUAXINKSA-N 2 2 275.440 3.392 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC000176000389 527884209 /nfs/dbraw/zinc/88/42/09/527884209.db2.gz AWCBPCGCBLPPOA-PBHICJAKSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC000176000389 527884212 /nfs/dbraw/zinc/88/42/12/527884212.db2.gz AWCBPCGCBLPPOA-PBHICJAKSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423231340 528164523 /nfs/dbraw/zinc/16/45/23/528164523.db2.gz GJAOMTJZSJUZBK-HOCLYGCPSA-N 2 2 276.424 3.124 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccnc1 ZINC000367437885 528228580 /nfs/dbraw/zinc/22/85/80/528228580.db2.gz KFCGWMAAVYLOOE-INIZCTEOSA-N 2 2 284.407 3.245 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423568570 528239947 /nfs/dbraw/zinc/23/99/47/528239947.db2.gz VOZJYGIEHNNJTB-KBPBESRZSA-N 2 2 252.427 3.321 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423230160 528333962 /nfs/dbraw/zinc/33/39/62/528333962.db2.gz CTIVVHCXJSVUQA-GFCCVEGCSA-N 2 2 284.831 3.387 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000423251763 528334568 /nfs/dbraw/zinc/33/45/68/528334568.db2.gz WSMFKEBIPCUNSF-CYBMUJFWSA-N 2 2 285.229 3.099 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000423236060 528334607 /nfs/dbraw/zinc/33/46/07/528334607.db2.gz BMTMCDFLTINZOU-GFCCVEGCSA-N 2 2 260.381 3.255 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423377250 528422113 /nfs/dbraw/zinc/42/21/13/528422113.db2.gz KDCAQHCFILZBTI-NXEZZACHSA-N 2 2 258.768 3.128 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423378391 528424042 /nfs/dbraw/zinc/42/40/42/528424042.db2.gz KYKFSTSXRMQQCX-UKRRQHHQSA-N 2 2 252.402 3.345 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423319997 528474152 /nfs/dbraw/zinc/47/41/52/528474152.db2.gz FYQKXSLZCRMDPP-LLVKDONJSA-N 2 2 282.815 3.271 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449110646 528509353 /nfs/dbraw/zinc/50/93/53/528509353.db2.gz FPEXMAUSNCMNDE-LBPRGKRZSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449110646 528509359 /nfs/dbraw/zinc/50/93/59/528509359.db2.gz FPEXMAUSNCMNDE-LBPRGKRZSA-N 2 2 282.378 3.142 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423314543 528512431 /nfs/dbraw/zinc/51/24/31/528512431.db2.gz WDHFINIGBMCWIP-HNNXBMFYSA-N 2 2 283.419 3.399 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423295429 528513183 /nfs/dbraw/zinc/51/31/83/528513183.db2.gz AEQPIPOGHKKYNV-AWEZNQCLSA-N 2 2 286.419 3.499 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423316855 528513728 /nfs/dbraw/zinc/51/37/28/528513728.db2.gz YHWSAXISMXTXLG-DGCLKSJQSA-N 2 2 252.427 3.276 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312666 528517306 /nfs/dbraw/zinc/51/73/06/528517306.db2.gz SODHXCJUMPVILH-INIZCTEOSA-N 2 2 271.408 3.135 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423273074 528534056 /nfs/dbraw/zinc/53/40/56/528534056.db2.gz KIGDGMWOAXXZRO-OCCSQVGLSA-N 2 2 289.448 3.444 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368266199 528651522 /nfs/dbraw/zinc/65/15/22/528651522.db2.gz XINLCTRFWCFGQO-MRXNPFEDSA-N 2 2 283.419 3.255 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368266199 528651528 /nfs/dbraw/zinc/65/15/28/528651528.db2.gz XINLCTRFWCFGQO-MRXNPFEDSA-N 2 2 283.419 3.255 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc21 ZINC000423277454 528700990 /nfs/dbraw/zinc/70/09/90/528700990.db2.gz OCOPRRHSDDABAO-SMDDNHRTSA-N 2 2 288.391 3.219 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000178651922 528724965 /nfs/dbraw/zinc/72/49/65/528724965.db2.gz QWKIRTYZIQAKQK-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000178651922 528724969 /nfs/dbraw/zinc/72/49/69/528724969.db2.gz QWKIRTYZIQAKQK-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000414129604 528766967 /nfs/dbraw/zinc/76/69/67/528766967.db2.gz VLDLXPFSSYDOMK-ZWKOTPCHSA-N 2 2 283.419 3.437 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423287516 528949887 /nfs/dbraw/zinc/94/98/87/528949887.db2.gz MTBACHNCBNGQAW-AWEZNQCLSA-N 3 2 286.423 3.040 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423289117 528955058 /nfs/dbraw/zinc/95/50/58/528955058.db2.gz WIHNCFWHIHIURE-QGZVFWFLSA-N 2 2 283.419 3.278 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423238812 529122128 /nfs/dbraw/zinc/12/21/28/529122128.db2.gz JNTVNWFUBZRTTM-SJORKVTESA-N 2 2 269.392 3.068 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423245805 529175926 /nfs/dbraw/zinc/17/59/26/529175926.db2.gz YSNVQCRBBIATOV-GXTWGEPZSA-N 2 2 282.815 3.141 20 0 CGADLP CCSCC[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000437988167 529180496 /nfs/dbraw/zinc/18/04/96/529180496.db2.gz QWTMOMDVSJZHKZ-QGZVFWFLSA-N 2 2 292.492 3.240 20 0 CGADLP CCSCC[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000437988167 529180497 /nfs/dbraw/zinc/18/04/97/529180497.db2.gz QWTMOMDVSJZHKZ-QGZVFWFLSA-N 2 2 292.492 3.240 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423354963 529257747 /nfs/dbraw/zinc/25/77/47/529257747.db2.gz DITWNQMBLPFPOX-VNHYZAJKSA-N 2 2 278.465 3.447 20 0 CGADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000459331055 535053926 /nfs/dbraw/zinc/05/39/26/535053926.db2.gz UTUIMNDNLNKNLJ-UHFFFAOYSA-N 2 2 289.398 3.260 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC000125283883 535458082 /nfs/dbraw/zinc/45/80/82/535458082.db2.gz NGGVFFKROFYCCI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC000125283883 535458089 /nfs/dbraw/zinc/45/80/89/535458089.db2.gz NGGVFFKROFYCCI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000729681626 571928623 /nfs/dbraw/zinc/92/86/23/571928623.db2.gz FWAPNFADBSXSJN-KRWDZBQOSA-N 2 2 295.430 3.248 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000729681626 571928628 /nfs/dbraw/zinc/92/86/28/571928628.db2.gz FWAPNFADBSXSJN-KRWDZBQOSA-N 2 2 295.430 3.248 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)[C@H](C[NH3+])C1 ZINC000261566244 572344940 /nfs/dbraw/zinc/34/49/40/572344940.db2.gz GIWFFJZMRRNZRM-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)[C@H](C[NH3+])C1 ZINC000261566244 572344945 /nfs/dbraw/zinc/34/49/45/572344945.db2.gz GIWFFJZMRRNZRM-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CCC2)cc1 ZINC000741753829 572522284 /nfs/dbraw/zinc/52/22/84/572522284.db2.gz CBCHXTCTLFZWRY-KRWDZBQOSA-N 2 2 276.399 3.352 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000735491279 572725832 /nfs/dbraw/zinc/72/58/32/572725832.db2.gz DWXFZKHLFWQXSD-RBSFLKMASA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000735491279 572725835 /nfs/dbraw/zinc/72/58/35/572725835.db2.gz DWXFZKHLFWQXSD-RBSFLKMASA-N 2 2 268.521 3.201 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403938 572750367 /nfs/dbraw/zinc/75/03/67/572750367.db2.gz BHAUUJIYWHMSDF-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403938 572750369 /nfs/dbraw/zinc/75/03/69/572750369.db2.gz BHAUUJIYWHMSDF-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403938 572750372 /nfs/dbraw/zinc/75/03/72/572750372.db2.gz BHAUUJIYWHMSDF-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403938 572750377 /nfs/dbraw/zinc/75/03/77/572750377.db2.gz BHAUUJIYWHMSDF-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000926368019 618568452 /nfs/dbraw/zinc/56/84/52/618568452.db2.gz PVKBUPNRKDRYMB-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000926368019 618568458 /nfs/dbraw/zinc/56/84/58/618568458.db2.gz PVKBUPNRKDRYMB-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000107788684 618581183 /nfs/dbraw/zinc/58/11/83/618581183.db2.gz XPRHVQRBFAVCQC-UHFFFAOYSA-N 2 2 261.413 3.041 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1coc2ccccc12 ZINC000926451382 618687538 /nfs/dbraw/zinc/68/75/38/618687538.db2.gz ZDPFRAYXMFTJIE-VXGBXAGGSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000926476118 618703421 /nfs/dbraw/zinc/70/34/21/618703421.db2.gz YGWQJZCYNVSOQE-UONOGXRCSA-N 2 2 287.407 3.190 20 0 CGADLP C([NH2+]C1CCCC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000236571223 618868986 /nfs/dbraw/zinc/86/89/86/618868986.db2.gz YSRUEZKEAQIQID-UHFFFAOYSA-N 2 2 282.497 3.270 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000892591129 618869081 /nfs/dbraw/zinc/86/90/81/618869081.db2.gz CJLISKBAXWFFGG-KBPBESRZSA-N 2 2 293.455 3.003 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019959836 618973525 /nfs/dbraw/zinc/97/35/25/618973525.db2.gz CYNIWZPTPNLNAV-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019959836 618973527 /nfs/dbraw/zinc/97/35/27/618973527.db2.gz CYNIWZPTPNLNAV-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000925519070 619012133 /nfs/dbraw/zinc/01/21/33/619012133.db2.gz RZQWIKPIALKPDM-LLLHUVSDSA-N 2 2 288.435 3.012 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925616653 619089307 /nfs/dbraw/zinc/08/93/07/619089307.db2.gz AAZLOMDHYQEQHI-IACUBPJLSA-N 2 2 268.351 3.242 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000925760598 619223033 /nfs/dbraw/zinc/22/30/33/619223033.db2.gz YZSCIBSNRBEZDU-LBPRGKRZSA-N 2 2 280.387 3.099 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000236798299 619238673 /nfs/dbraw/zinc/23/86/73/619238673.db2.gz AGCURBUKENCIBM-QQFBHYJXSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000894000228 619349797 /nfs/dbraw/zinc/34/97/97/619349797.db2.gz XYUDVXKUAZUADC-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000894000228 619349800 /nfs/dbraw/zinc/34/98/00/619349800.db2.gz XYUDVXKUAZUADC-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050661 619359270 /nfs/dbraw/zinc/35/92/70/619359270.db2.gz SNYKQUPJGXQMDN-GXTWGEPZSA-N 2 2 282.453 3.164 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050661 619359273 /nfs/dbraw/zinc/35/92/73/619359273.db2.gz SNYKQUPJGXQMDN-GXTWGEPZSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050661 619359275 /nfs/dbraw/zinc/35/92/75/619359275.db2.gz SNYKQUPJGXQMDN-GXTWGEPZSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050661 619359279 /nfs/dbraw/zinc/35/92/79/619359279.db2.gz SNYKQUPJGXQMDN-GXTWGEPZSA-N 2 2 282.453 3.164 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000894052195 619360015 /nfs/dbraw/zinc/36/00/15/619360015.db2.gz BGBOTSZSJWDYGU-AWEZNQCLSA-N 2 2 294.464 3.309 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000894052195 619360017 /nfs/dbraw/zinc/36/00/17/619360017.db2.gz BGBOTSZSJWDYGU-AWEZNQCLSA-N 2 2 294.464 3.309 20 0 CGADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ncccc1Cl ZINC000924875417 619385512 /nfs/dbraw/zinc/38/55/12/619385512.db2.gz ZZHDLOZKMGJDAS-CQSZACIVSA-N 2 2 292.814 3.371 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCCSC2)CC1 ZINC000895110636 619734198 /nfs/dbraw/zinc/73/41/98/619734198.db2.gz ROMHTZNPECUMGJ-KKUMJFAQSA-N 2 2 291.464 3.054 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC000895112486 619735196 /nfs/dbraw/zinc/73/51/96/619735196.db2.gz WSMHTRTUVPEHMZ-QAQDUYKDSA-N 2 2 281.403 3.358 20 0 CGADLP C[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112632 619736739 /nfs/dbraw/zinc/73/67/39/619736739.db2.gz QIAQGEWZGVUFGB-TUVASFSCSA-N 2 2 291.464 3.052 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCCC23CC3)CC1 ZINC000895115239 619737061 /nfs/dbraw/zinc/73/70/61/619737061.db2.gz NJSYIIJOORBQGD-BZUAXINKSA-N 2 2 285.435 3.491 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)sc1C ZINC000895508094 619838535 /nfs/dbraw/zinc/83/85/35/619838535.db2.gz DZNFMISGKJRBNA-SWLSCSKDSA-N 2 2 295.496 3.312 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)sc1C ZINC000895508094 619838538 /nfs/dbraw/zinc/83/85/38/619838538.db2.gz DZNFMISGKJRBNA-SWLSCSKDSA-N 2 2 295.496 3.312 20 0 CGADLP CCc1ccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)o1 ZINC000895827517 619889975 /nfs/dbraw/zinc/88/99/75/619889975.db2.gz LXOZKXJIJUNZEO-UHFFFAOYSA-N 2 2 276.424 3.292 20 0 CGADLP C(CC1CCCCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227210 620165520 /nfs/dbraw/zinc/16/55/20/620165520.db2.gz CKLHVEJXWORWFY-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC1CCCCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897227210 620165523 /nfs/dbraw/zinc/16/55/23/620165523.db2.gz CKLHVEJXWORWFY-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000797589358 620216895 /nfs/dbraw/zinc/21/68/95/620216895.db2.gz ILHWUIWIEAWITM-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(Cl)n1 ZINC000797589358 620216898 /nfs/dbraw/zinc/21/68/98/620216898.db2.gz ILHWUIWIEAWITM-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035013046 620224790 /nfs/dbraw/zinc/22/47/90/620224790.db2.gz FTWDVZCLOIYOPL-XHSDSOJGSA-N 2 2 250.430 3.031 20 0 CGADLP Fc1cccc(/C=C\C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897977699 620461308 /nfs/dbraw/zinc/46/13/08/620461308.db2.gz HXRGMOWKAAPLFD-HYXAFXHYSA-N 2 2 288.410 3.445 20 0 CGADLP CSCC(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000898305417 620508816 /nfs/dbraw/zinc/50/88/16/620508816.db2.gz CDPOCUPQFPZWHX-UHFFFAOYSA-N 2 2 281.450 3.165 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902317440 621251880 /nfs/dbraw/zinc/25/18/80/621251880.db2.gz DYHCWARUMYKHPM-NEPJUHHUSA-N 2 2 281.469 3.134 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902349832 621259913 /nfs/dbraw/zinc/25/99/13/621259913.db2.gz RRYXFKDVXZSQQH-GFCCVEGCSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cs1 ZINC000902430018 621315726 /nfs/dbraw/zinc/31/57/26/621315726.db2.gz CBDOQTYCPYLLFY-HFBAOOFYSA-N 2 2 272.417 3.332 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1N(C)C ZINC000902435318 621318185 /nfs/dbraw/zinc/31/81/85/621318185.db2.gz BJGCQQOPZNVAHZ-BOFPYLFWSA-N 2 2 295.430 3.028 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000902435820 621318258 /nfs/dbraw/zinc/31/82/58/621318258.db2.gz VJGBROLTEGHWHP-QHSBEEBCSA-N 2 2 298.352 3.322 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725021 621413255 /nfs/dbraw/zinc/41/32/55/621413255.db2.gz NWZUVPAYOUQNCK-FGTMMUONSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725021 621413260 /nfs/dbraw/zinc/41/32/60/621413260.db2.gz NWZUVPAYOUQNCK-FGTMMUONSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902827074 621458650 /nfs/dbraw/zinc/45/86/50/621458650.db2.gz VRKVIDHFXIFLBY-NXHRZFHOSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902827074 621458665 /nfs/dbraw/zinc/45/86/65/621458665.db2.gz VRKVIDHFXIFLBY-NXHRZFHOSA-N 2 2 294.483 3.046 20 0 CGADLP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902982326 621511576 /nfs/dbraw/zinc/51/15/76/621511576.db2.gz ZWPINTYZULNPJU-WBAXXEDZSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902995675 621522171 /nfs/dbraw/zinc/52/21/71/621522171.db2.gz DGYAGXOWUCNZOG-KDOFPFPSSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]1C ZINC000903075374 621557887 /nfs/dbraw/zinc/55/78/87/621557887.db2.gz UUCODGGPHRABKC-UGUYLWEFSA-N 2 2 263.429 3.324 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000903481403 621765280 /nfs/dbraw/zinc/76/52/80/621765280.db2.gz ARTUHZOMKQUBOM-SFHVURJKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903879121 621825321 /nfs/dbraw/zinc/82/53/21/621825321.db2.gz SPVMIUNGPJDDRZ-PWSUYJOCSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903879121 621825322 /nfs/dbraw/zinc/82/53/22/621825322.db2.gz SPVMIUNGPJDDRZ-PWSUYJOCSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(Cl)c1Cl ZINC000903967721 621845715 /nfs/dbraw/zinc/84/57/15/621845715.db2.gz MCWBBSBBSOLYKH-SFYZADRCSA-N 2 2 279.236 3.000 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904305060 621902324 /nfs/dbraw/zinc/90/23/24/621902324.db2.gz BZZQSWYFBYJISD-MRXNPFEDSA-N 2 2 296.842 3.170 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904305060 621902326 /nfs/dbraw/zinc/90/23/26/621902326.db2.gz BZZQSWYFBYJISD-MRXNPFEDSA-N 2 2 296.842 3.170 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000904337174 621903598 /nfs/dbraw/zinc/90/35/98/621903598.db2.gz PUJDDDNWBMVRJV-CABCVRRESA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000904337174 621903601 /nfs/dbraw/zinc/90/36/01/621903601.db2.gz PUJDDDNWBMVRJV-CABCVRRESA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906592155 622252629 /nfs/dbraw/zinc/25/26/29/622252629.db2.gz ORFVXPBWVLSYFP-SJORKVTESA-N 2 2 276.399 3.144 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)ccc(C)c1F ZINC000930059231 624389726 /nfs/dbraw/zinc/38/97/26/624389726.db2.gz BBXOLPXDEWDVIB-UHFFFAOYSA-N 2 2 293.361 3.300 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822905 625892315 /nfs/dbraw/zinc/89/23/15/625892315.db2.gz ZMRNTYUZZQVJKQ-UONOGXRCSA-N 2 2 279.453 3.147 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000922213821 625984553 /nfs/dbraw/zinc/98/45/53/625984553.db2.gz HQRGJOMFFZTQIX-UHFFFAOYSA-N 2 2 297.402 3.056 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374867 626149485 /nfs/dbraw/zinc/14/94/85/626149485.db2.gz FBONZIBCYPPAJA-YPMHNXCESA-N 2 2 295.496 3.166 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374867 626149486 /nfs/dbraw/zinc/14/94/86/626149486.db2.gz FBONZIBCYPPAJA-YPMHNXCESA-N 2 2 295.496 3.166 20 0 CGADLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1F ZINC000124722175 634494202 /nfs/dbraw/zinc/49/42/02/634494202.db2.gz BGFHKISJNJATLX-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1F ZINC000124722175 634494206 /nfs/dbraw/zinc/49/42/06/634494206.db2.gz BGFHKISJNJATLX-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000753636513 626460404 /nfs/dbraw/zinc/46/04/04/626460404.db2.gz YCUWSINWWXHOKU-LSDHHAIUSA-N 2 2 276.424 3.057 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000753636513 626460405 /nfs/dbraw/zinc/46/04/05/626460405.db2.gz YCUWSINWWXHOKU-LSDHHAIUSA-N 2 2 276.424 3.057 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1 ZINC000765260719 627244103 /nfs/dbraw/zinc/24/41/03/627244103.db2.gz RHKMBTSIFNRWDK-ZDUSSCGKSA-N 2 2 269.458 3.173 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000765873639 627276486 /nfs/dbraw/zinc/27/64/86/627276486.db2.gz OUPNREWEDBRKPR-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000765873639 627276491 /nfs/dbraw/zinc/27/64/91/627276491.db2.gz OUPNREWEDBRKPR-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000766267712 627307569 /nfs/dbraw/zinc/30/75/69/627307569.db2.gz ILFBTQZKSCJIAP-KBXCAEBGSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000766267712 627307572 /nfs/dbraw/zinc/30/75/72/627307572.db2.gz ILFBTQZKSCJIAP-KBXCAEBGSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000766267714 627308127 /nfs/dbraw/zinc/30/81/27/627308127.db2.gz ILFBTQZKSCJIAP-KSSFIOAISA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000766267714 627308131 /nfs/dbraw/zinc/30/81/31/627308131.db2.gz ILFBTQZKSCJIAP-KSSFIOAISA-N 2 2 288.435 3.147 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1C ZINC000766274064 627311358 /nfs/dbraw/zinc/31/13/58/627311358.db2.gz SHXIGEFKJIYLAH-ZBFHGGJFSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1C ZINC000766274064 627311362 /nfs/dbraw/zinc/31/13/62/627311362.db2.gz SHXIGEFKJIYLAH-ZBFHGGJFSA-N 2 2 260.425 3.438 20 0 CGADLP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000768689626 627493458 /nfs/dbraw/zinc/49/34/58/627493458.db2.gz KPAQWJLRRUNTHR-GPANFISMSA-N 2 2 294.389 3.284 20 0 CGADLP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000768689626 627493460 /nfs/dbraw/zinc/49/34/60/627493460.db2.gz KPAQWJLRRUNTHR-GPANFISMSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000769147836 627525940 /nfs/dbraw/zinc/52/59/40/627525940.db2.gz GODVGPYHNLUHNE-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000769147836 627525943 /nfs/dbraw/zinc/52/59/43/627525943.db2.gz GODVGPYHNLUHNE-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000769147836 627525945 /nfs/dbraw/zinc/52/59/45/627525945.db2.gz GODVGPYHNLUHNE-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000769147836 627525948 /nfs/dbraw/zinc/52/59/48/627525948.db2.gz GODVGPYHNLUHNE-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000769867353 627584937 /nfs/dbraw/zinc/58/49/37/627584937.db2.gz KGGZLTMAVZHUHT-CYBMUJFWSA-N 2 2 293.455 3.316 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771178723 627688762 /nfs/dbraw/zinc/68/87/62/627688762.db2.gz RILRLVNASYWZKQ-CQSZACIVSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000774443199 627991124 /nfs/dbraw/zinc/99/11/24/627991124.db2.gz ODOOXAZAVWXEST-GUYCJALGSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000774443199 627991128 /nfs/dbraw/zinc/99/11/28/627991128.db2.gz ODOOXAZAVWXEST-GUYCJALGSA-N 2 2 276.399 3.351 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000775310146 628080142 /nfs/dbraw/zinc/08/01/42/628080142.db2.gz FVLBPCCFNRWECQ-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000775310146 628080146 /nfs/dbraw/zinc/08/01/46/628080146.db2.gz FVLBPCCFNRWECQ-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775392054 628089538 /nfs/dbraw/zinc/08/95/38/628089538.db2.gz HBWKBXMYURVNFX-DYVFJYSZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775392054 628089541 /nfs/dbraw/zinc/08/95/41/628089541.db2.gz HBWKBXMYURVNFX-DYVFJYSZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000776333743 628194871 /nfs/dbraw/zinc/19/48/71/628194871.db2.gz CSHMYVSBNUDUKI-LSDHHAIUSA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000776802398 628232880 /nfs/dbraw/zinc/23/28/80/628232880.db2.gz HUXGFXPHGCPYQT-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000776802398 628232884 /nfs/dbraw/zinc/23/28/84/628232884.db2.gz HUXGFXPHGCPYQT-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@H]([NH2+]C/C=C/Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782966383 628670539 /nfs/dbraw/zinc/67/05/39/628670539.db2.gz DHGTWVWVIFHQOE-YGOPWGPOSA-N 2 2 261.756 3.275 20 0 CGADLP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782966380 628670716 /nfs/dbraw/zinc/67/07/16/628670716.db2.gz DHGTWVWVIFHQOE-QXYGSRGCSA-N 2 2 261.756 3.275 20 0 CGADLP COC(C)(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000787273458 629006759 /nfs/dbraw/zinc/00/67/59/629006759.db2.gz BUBZCKZIUATHKQ-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863544981 629603149 /nfs/dbraw/zinc/60/31/49/629603149.db2.gz GGCZEXIDUIPISK-QLFBSQMISA-N 2 2 276.424 3.103 20 0 CGADLP C[NH+](C)Cc1cnc(CNc2cccc3cc[nH+]cc32)s1 ZINC000796331633 629767208 /nfs/dbraw/zinc/76/72/08/629767208.db2.gz MPWAIYYPKDAPCE-UHFFFAOYSA-N 2 2 298.415 3.365 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000797115455 629890815 /nfs/dbraw/zinc/89/08/15/629890815.db2.gz UBBZWBQPQBYZFF-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000797115455 629890819 /nfs/dbraw/zinc/89/08/19/629890819.db2.gz UBBZWBQPQBYZFF-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000865425550 630116505 /nfs/dbraw/zinc/11/65/05/630116505.db2.gz OUSHTWGSBRWTSS-UHFFFAOYSA-N 2 2 277.799 3.415 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000806156073 630550721 /nfs/dbraw/zinc/55/07/21/630550721.db2.gz XIRKIHDVCLARJZ-PBHICJAKSA-N 2 2 273.424 3.039 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767686 630803898 /nfs/dbraw/zinc/80/38/98/630803898.db2.gz RDIOZTITJQGZGL-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767686 630803900 /nfs/dbraw/zinc/80/39/00/630803900.db2.gz RDIOZTITJQGZGL-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000809767686 630803908 /nfs/dbraw/zinc/80/39/08/630803908.db2.gz RDIOZTITJQGZGL-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000809767686 630803911 /nfs/dbraw/zinc/80/39/11/630803911.db2.gz RDIOZTITJQGZGL-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767688 630804181 /nfs/dbraw/zinc/80/41/81/630804181.db2.gz RDIOZTITJQGZGL-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767688 630804184 /nfs/dbraw/zinc/80/41/84/630804184.db2.gz RDIOZTITJQGZGL-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000809767688 630804188 /nfs/dbraw/zinc/80/41/88/630804188.db2.gz RDIOZTITJQGZGL-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000809767688 630804190 /nfs/dbraw/zinc/80/41/90/630804190.db2.gz RDIOZTITJQGZGL-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000817410639 632142591 /nfs/dbraw/zinc/14/25/91/632142591.db2.gz RMLZHPJQSGBSTA-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000817410639 632142596 /nfs/dbraw/zinc/14/25/96/632142596.db2.gz RMLZHPJQSGBSTA-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000817575045 632185686 /nfs/dbraw/zinc/18/56/86/632185686.db2.gz UEONAQRBXYCDPM-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP CCN(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817902015 632231133 /nfs/dbraw/zinc/23/11/33/632231133.db2.gz GRSOKLOSZSOLBV-MSOLQXFVSA-N 2 2 295.430 3.377 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C ZINC000817950779 632246878 /nfs/dbraw/zinc/24/68/78/632246878.db2.gz YTWILAAUUAMFML-CABCVRRESA-N 2 2 276.424 3.105 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000817954981 632250365 /nfs/dbraw/zinc/25/03/65/632250365.db2.gz NWFMYASUNYCPKZ-KBXCAEBGSA-N 2 2 284.403 3.436 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000817962801 632259177 /nfs/dbraw/zinc/25/91/77/632259177.db2.gz KYOVFGUDGURSQO-ZBFHGGJFSA-N 2 2 286.423 3.040 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccco1 ZINC000820805188 632678953 /nfs/dbraw/zinc/67/89/53/632678953.db2.gz GBJLOUXAVSSMOT-QGZVFWFLSA-N 2 2 295.386 3.358 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000866248781 633044578 /nfs/dbraw/zinc/04/45/78/633044578.db2.gz FRJFNSAPRYQVHC-IAGOWNOFSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000866397935 633122388 /nfs/dbraw/zinc/12/23/88/633122388.db2.gz KZRYTPCRXBOPLB-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000866397935 633122389 /nfs/dbraw/zinc/12/23/89/633122389.db2.gz KZRYTPCRXBOPLB-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCOC1 ZINC000866561673 633192337 /nfs/dbraw/zinc/19/23/37/633192337.db2.gz JHSRNPVNPNYIOM-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCOC1 ZINC000866561673 633192355 /nfs/dbraw/zinc/19/23/55/633192355.db2.gz JHSRNPVNPNYIOM-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)o2)CC1 ZINC000866572612 633199857 /nfs/dbraw/zinc/19/98/57/633199857.db2.gz QGXYQOQGCAMFCE-UHFFFAOYSA-N 2 2 264.413 3.151 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866581674 633201724 /nfs/dbraw/zinc/20/17/24/633201724.db2.gz AICXLXQNIHIGMJ-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866581674 633201729 /nfs/dbraw/zinc/20/17/29/633201729.db2.gz AICXLXQNIHIGMJ-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866581674 633201732 /nfs/dbraw/zinc/20/17/32/633201732.db2.gz AICXLXQNIHIGMJ-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866581674 633201734 /nfs/dbraw/zinc/20/17/34/633201734.db2.gz AICXLXQNIHIGMJ-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000824962904 633310531 /nfs/dbraw/zinc/31/05/31/633310531.db2.gz JEYZCIWVMHJXMX-AYOQOUSVSA-N 2 2 299.462 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000824971686 633312804 /nfs/dbraw/zinc/31/28/04/633312804.db2.gz WRXSNYNLVGCJGS-NTZNESFSSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000824971686 633312808 /nfs/dbraw/zinc/31/28/08/633312808.db2.gz WRXSNYNLVGCJGS-NTZNESFSSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971666 633312828 /nfs/dbraw/zinc/31/28/28/633312828.db2.gz WLWMCNUELWRYIP-RTXFEEFZSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971666 633312831 /nfs/dbraw/zinc/31/28/31/633312831.db2.gz WLWMCNUELWRYIP-RTXFEEFZSA-N 2 2 291.266 3.033 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCCc3ccccc3C2)c[nH+]1 ZINC000872017337 633938574 /nfs/dbraw/zinc/93/85/74/633938574.db2.gz ZJAVURWLTXXGON-SFHVURJKSA-N 2 2 283.419 3.201 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1CCCOC1 ZINC000872024321 633944932 /nfs/dbraw/zinc/94/49/32/633944932.db2.gz QCQCJAHUPUHKNL-OWCLPIDISA-N 2 2 293.455 3.093 20 0 CGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000872032767 633951346 /nfs/dbraw/zinc/95/13/46/633951346.db2.gz ZDUQLEINFFAGGX-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872034324 633953421 /nfs/dbraw/zinc/95/34/21/633953421.db2.gz GSCBXKIOVRWLQM-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872034324 633953429 /nfs/dbraw/zinc/95/34/29/633953429.db2.gz GSCBXKIOVRWLQM-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000872073606 633995403 /nfs/dbraw/zinc/99/54/03/633995403.db2.gz SSGWYALWAAYGIZ-AVGNSLFASA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872085912 634011574 /nfs/dbraw/zinc/01/15/74/634011574.db2.gz QMAXPDGLIIAZTO-DLBZAZTESA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000872088488 634014304 /nfs/dbraw/zinc/01/43/04/634014304.db2.gz PBYNGYTXQZRQDY-USXIJHARSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000872088485 634014382 /nfs/dbraw/zinc/01/43/82/634014382.db2.gz PBYNGYTXQZRQDY-BHYGNILZSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1CCN(c2cc[nH+]cc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000872481041 634154277 /nfs/dbraw/zinc/15/42/77/634154277.db2.gz ALUKZLPGYCBEPG-GUYCJALGSA-N 2 2 282.391 3.243 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCc2ccccc2CC1 ZINC000834606417 634196867 /nfs/dbraw/zinc/19/68/67/634196867.db2.gz HQNMQMANRIVZMN-OAHLLOKOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCc2ccccc2CC1 ZINC000834606417 634196869 /nfs/dbraw/zinc/19/68/69/634196869.db2.gz HQNMQMANRIVZMN-OAHLLOKOSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2OCC)C1 ZINC000873020490 634232249 /nfs/dbraw/zinc/23/22/49/634232249.db2.gz UEILHOSUJBEZHP-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2OCC)C1 ZINC000873020490 634232254 /nfs/dbraw/zinc/23/22/54/634232254.db2.gz UEILHOSUJBEZHP-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000873029510 634234021 /nfs/dbraw/zinc/23/40/21/634234021.db2.gz JDUXFDXHJPXHSQ-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000873029510 634234022 /nfs/dbraw/zinc/23/40/22/634234022.db2.gz JDUXFDXHJPXHSQ-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000877070853 634971641 /nfs/dbraw/zinc/97/16/41/634971641.db2.gz XGKZLLGPTYZYOU-GHMZBOCLSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070853 634971644 /nfs/dbraw/zinc/97/16/44/634971644.db2.gz XGKZLLGPTYZYOU-GHMZBOCLSA-N 2 2 293.798 3.054 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000877619367 635116022 /nfs/dbraw/zinc/11/60/22/635116022.db2.gz XJRWUBQHTLSLFW-KGLIPLIRSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000877619367 635116030 /nfs/dbraw/zinc/11/60/30/635116030.db2.gz XJRWUBQHTLSLFW-KGLIPLIRSA-N 2 2 270.486 3.125 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000841060782 635116596 /nfs/dbraw/zinc/11/65/96/635116596.db2.gz PXSOWSOPASIZML-CQSZACIVSA-N 2 2 264.413 3.083 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744398 635180674 /nfs/dbraw/zinc/18/06/74/635180674.db2.gz SJYDLKRJCQHXIV-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744398 635180680 /nfs/dbraw/zinc/18/06/80/635180680.db2.gz SJYDLKRJCQHXIV-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744398 635180684 /nfs/dbraw/zinc/18/06/84/635180684.db2.gz SJYDLKRJCQHXIV-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744398 635180689 /nfs/dbraw/zinc/18/06/89/635180689.db2.gz SJYDLKRJCQHXIV-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCCC1(F)F ZINC000878177587 635396995 /nfs/dbraw/zinc/39/69/95/635396995.db2.gz XGSVLCXRDLRXSV-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCCC1(F)F ZINC000878177587 635396999 /nfs/dbraw/zinc/39/69/99/635396999.db2.gz XGSVLCXRDLRXSV-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCC1(F)F ZINC000878177587 635397006 /nfs/dbraw/zinc/39/70/06/635397006.db2.gz XGSVLCXRDLRXSV-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCCC1(F)F ZINC000878177587 635397013 /nfs/dbraw/zinc/39/70/13/635397013.db2.gz XGSVLCXRDLRXSV-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136030 635921208 /nfs/dbraw/zinc/92/12/08/635921208.db2.gz DMZMRINUJGELSL-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136030 635921215 /nfs/dbraw/zinc/92/12/15/635921215.db2.gz DMZMRINUJGELSL-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCSCc1ccccc1 ZINC000880136030 635921222 /nfs/dbraw/zinc/92/12/22/635921222.db2.gz DMZMRINUJGELSL-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCSCc1ccccc1 ZINC000880136030 635921228 /nfs/dbraw/zinc/92/12/28/635921228.db2.gz DMZMRINUJGELSL-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP CC1([NH+]2CCC2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000882961972 636480598 /nfs/dbraw/zinc/48/05/98/636480598.db2.gz CUCPXBZREIYWIT-UHFFFAOYSA-N 2 2 299.393 3.439 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883388408 636729825 /nfs/dbraw/zinc/72/98/25/636729825.db2.gz UWTIHYQCCDHFKB-KSZLIROESA-N 2 2 299.418 3.172 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2C=CCC2)C[N@@H+]1Cc1ccccc1 ZINC000850359111 637028079 /nfs/dbraw/zinc/02/80/79/637028079.db2.gz WQMJWPGFGSFRPO-IRXDYDNUSA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2C=CCC2)C[N@H+]1Cc1ccccc1 ZINC000850359111 637028085 /nfs/dbraw/zinc/02/80/85/637028085.db2.gz WQMJWPGFGSFRPO-IRXDYDNUSA-N 2 2 270.420 3.348 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000885967258 637336719 /nfs/dbraw/zinc/33/67/19/637336719.db2.gz KYLKSBAQJOLIBU-JKSUJKDBSA-N 2 2 291.439 3.211 20 0 CGADLP c1cn(CCC[NH2+]C2CC(Sc3ccccc3)C2)c[nH+]1 ZINC000924533014 638352117 /nfs/dbraw/zinc/35/21/17/638352117.db2.gz HQVSNAHLNVNVLF-UHFFFAOYSA-N 2 2 287.432 3.186 20 0 CGADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ncccc1Cl ZINC000924553607 638360790 /nfs/dbraw/zinc/36/07/90/638360790.db2.gz SEQKVCKRMDIEGS-ZDUSSCGKSA-N 2 2 278.787 3.063 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccns1 ZINC000924929381 638425966 /nfs/dbraw/zinc/42/59/66/638425966.db2.gz FTCRKNUUNNZUSZ-CYBMUJFWSA-N 2 2 269.458 3.306 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925103470 638453270 /nfs/dbraw/zinc/45/32/70/638453270.db2.gz QTBIRXPSAMPMGZ-ROUUACIJSA-N 2 2 287.451 3.095 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925103470 638453271 /nfs/dbraw/zinc/45/32/71/638453271.db2.gz QTBIRXPSAMPMGZ-ROUUACIJSA-N 2 2 287.451 3.095 20 0 CGADLP Cc1cccc2c1[C@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000925167815 638466457 /nfs/dbraw/zinc/46/64/57/638466457.db2.gz DZJDCTJTFFHVNO-HZPDHXFCSA-N 2 2 281.403 3.346 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)cc2c1C ZINC000925472879 638507475 /nfs/dbraw/zinc/50/74/75/638507475.db2.gz JOPPHSWLULKQLI-CZUORRHYSA-N 2 2 271.408 3.015 20 0 CGADLP CC(C)CSCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925626526 638547498 /nfs/dbraw/zinc/54/74/98/638547498.db2.gz RNGQEIUOXIIQSY-UKRRQHHQSA-N 2 2 266.454 3.054 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2s1 ZINC000925668688 638563328 /nfs/dbraw/zinc/56/33/28/638563328.db2.gz JUCQGQKEJXAUCT-OAHLLOKOSA-N 2 2 272.417 3.276 20 0 CGADLP CC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925675932 638565936 /nfs/dbraw/zinc/56/59/36/638565936.db2.gz IBJDFTIWPZYZPS-CYBMUJFWSA-N 2 2 268.351 3.028 20 0 CGADLP Cc1cc(N[C@H](c2ccccc2)[C@H](C)[NH3+])c[nH+]c1C ZINC000925770603 638603988 /nfs/dbraw/zinc/60/39/88/638603988.db2.gz WZTSGDARYBUWNA-LRDDRELGSA-N 2 2 255.365 3.199 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926150679 638723890 /nfs/dbraw/zinc/72/38/90/638723890.db2.gz MOQHTBNUDWQVQW-YUELXQCFSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926150679 638723894 /nfs/dbraw/zinc/72/38/94/638723894.db2.gz MOQHTBNUDWQVQW-YUELXQCFSA-N 2 2 293.480 3.162 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926175861 638729912 /nfs/dbraw/zinc/72/99/12/638729912.db2.gz SCPNKXDIGGITNO-JHJVBQTASA-N 2 2 278.362 3.324 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926175861 638729921 /nfs/dbraw/zinc/72/99/21/638729921.db2.gz SCPNKXDIGGITNO-JHJVBQTASA-N 2 2 278.362 3.324 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCC2)nc1 ZINC000926417287 638769533 /nfs/dbraw/zinc/76/95/33/638769533.db2.gz YNIXCUQCZXYHJT-IRXDYDNUSA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCC2)nc1 ZINC000926417287 638769535 /nfs/dbraw/zinc/76/95/35/638769535.db2.gz YNIXCUQCZXYHJT-IRXDYDNUSA-N 2 2 299.462 3.110 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927141588 638847138 /nfs/dbraw/zinc/84/71/38/638847138.db2.gz XCPNMOLUZUEYMB-NSHDSACASA-N 2 2 294.826 3.020 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)C2CCC(F)CC2)c(C)[nH+]1 ZINC000931057197 639104550 /nfs/dbraw/zinc/10/45/50/639104550.db2.gz LWOYXQKHJSNUIX-UHEGKEBESA-N 2 2 253.365 3.033 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000931355949 639139833 /nfs/dbraw/zinc/13/98/33/639139833.db2.gz YIQZABMDLSZKDD-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932276359 639310665 /nfs/dbraw/zinc/31/06/65/639310665.db2.gz UAZFCKVSYZSQDI-QAPCUYQASA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932276359 639310670 /nfs/dbraw/zinc/31/06/70/639310670.db2.gz UAZFCKVSYZSQDI-QAPCUYQASA-N 2 2 283.419 3.460 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159500645 640049859 /nfs/dbraw/zinc/04/98/59/640049859.db2.gz FOIZRNBCDXHTBG-NVXWUHKLSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000159500645 640049862 /nfs/dbraw/zinc/04/98/62/640049862.db2.gz FOIZRNBCDXHTBG-NVXWUHKLSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000080693930 640497907 /nfs/dbraw/zinc/49/79/07/640497907.db2.gz FFVOKAPVEMLXLI-CQSZACIVSA-N 2 2 292.452 3.161 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249986440 640809842 /nfs/dbraw/zinc/80/98/42/640809842.db2.gz ILDZRISWZUSFBG-AEFFLSMTSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249986440 640809845 /nfs/dbraw/zinc/80/98/45/640809845.db2.gz ILDZRISWZUSFBG-AEFFLSMTSA-N 2 2 285.435 3.326 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164771062 721281800 /nfs/dbraw/zinc/28/18/00/721281800.db2.gz ZCZLQZDKUNGWBM-UHFFFAOYSA-N 2 2 293.414 3.157 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771062 721281806 /nfs/dbraw/zinc/28/18/06/721281806.db2.gz ZCZLQZDKUNGWBM-UHFFFAOYSA-N 2 2 293.414 3.157 20 0 CGADLP Cc1c(F)cc[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001156774253 805733001 /nfs/dbraw/zinc/73/30/01/805733001.db2.gz VVSBYAROGREFJL-UHFFFAOYSA-N 2 2 265.376 3.014 20 0 CGADLP Cc1c(F)cc[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001156929397 805756289 /nfs/dbraw/zinc/75/62/89/805756289.db2.gz VLMTVLFXONMBPB-LBPRGKRZSA-N 2 2 265.376 3.206 20 0 CGADLP Cc1c(F)cc[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156929397 805756295 /nfs/dbraw/zinc/75/62/95/805756295.db2.gz VLMTVLFXONMBPB-LBPRGKRZSA-N 2 2 265.376 3.206 20 0 CGADLP COc1ccc2ccc(NCC(C)(C)C[NH+](C)C)[nH+]c2c1 ZINC001157945125 805906504 /nfs/dbraw/zinc/90/65/04/805906504.db2.gz WMHCAYPIMBBEQW-UHFFFAOYSA-N 2 2 287.407 3.243 20 0 CGADLP Cc1ccc(NCCc2cn3ccccc3[nH+]2)[nH+]c1C ZINC001158144520 805923217 /nfs/dbraw/zinc/92/32/17/805923217.db2.gz GCMPTBHTBPGTHW-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP COc1cc(C)c[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264550 805931180 /nfs/dbraw/zinc/93/11/80/805931180.db2.gz JQSKKHHKEYQPQC-DYVFJYSZSA-N 2 2 291.439 3.354 20 0 CGADLP Cc1cc(C)c(Nc2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC001159203660 806059049 /nfs/dbraw/zinc/05/90/49/806059049.db2.gz IMEKMGMIPYZWRB-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP [NH3+]Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001159646441 806141106 /nfs/dbraw/zinc/14/11/06/806141106.db2.gz ZIKZWHQEDCKWKI-UHFFFAOYSA-N 2 2 282.391 3.274 20 0 CGADLP COc1cc(Nc2ccc(C3([NH3+])CCC3)cc2)cc(C)[nH+]1 ZINC001159730270 806162353 /nfs/dbraw/zinc/16/23/53/806162353.db2.gz NCXPERLEEQBSFF-UHFFFAOYSA-N 2 2 283.375 3.480 20 0 CGADLP CN(C)c1ccc(Nc2ccc(C3([NH3+])CCC3)cc2)c[nH+]1 ZINC001159722098 806162538 /nfs/dbraw/zinc/16/25/38/806162538.db2.gz RDLKXFSLILZNMQ-UHFFFAOYSA-N 2 2 282.391 3.229 20 0 CGADLP Cc1cccn2c([C@H](C)Nc3cc(N(C)C)cc[nH+]3)c[nH+]c12 ZINC001160683801 806295733 /nfs/dbraw/zinc/29/57/33/806295733.db2.gz UYIBFIIRNSLLAX-ZDUSSCGKSA-N 2 2 295.390 3.277 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837779 806494804 /nfs/dbraw/zinc/49/48/04/806494804.db2.gz VWEQDLLMJPHDHZ-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847047 806497003 /nfs/dbraw/zinc/49/70/03/806497003.db2.gz CGMNBIBOAUYNEN-DYVFJYSZSA-N 2 2 292.854 3.345 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254847274 806497090 /nfs/dbraw/zinc/49/70/90/806497090.db2.gz AUZDPXJZXJQMJW-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c(C)c1 ZINC001254847768 806497675 /nfs/dbraw/zinc/49/76/75/806497675.db2.gz KUVDCWRONPKIOW-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CCC2 ZINC001254849485 806498591 /nfs/dbraw/zinc/49/85/91/806498591.db2.gz BPDRVFNMRGAVJQ-PKOBYXMFSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1[nH+]c2c(n1C1CCC(C)(C)CC1)CC[NH2+]CC2 ZINC001255303016 806601824 /nfs/dbraw/zinc/60/18/24/806601824.db2.gz NWHQFZFQBIGDIT-UHFFFAOYSA-N 2 2 261.413 3.021 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC001255307298 806603159 /nfs/dbraw/zinc/60/31/59/806603159.db2.gz YJLUJNNIESKTQM-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC001255307298 806603163 /nfs/dbraw/zinc/60/31/63/806603163.db2.gz YJLUJNNIESKTQM-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162793035 806666675 /nfs/dbraw/zinc/66/66/75/806666675.db2.gz JTUVXBDNPRTQDW-BYCMXARLSA-N 2 2 285.778 3.074 20 0 CGADLP CCCC(C[NH3+])(CCC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001163040214 806695241 /nfs/dbraw/zinc/69/52/41/806695241.db2.gz IHMPXQPLJIEFQS-UHFFFAOYSA-N 2 2 276.428 3.372 20 0 CGADLP CCC[C@@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037155992 798861261 /nfs/dbraw/zinc/86/12/61/798861261.db2.gz ZPEXDIKWCRHIJT-KGLIPLIRSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000038028747 798885128 /nfs/dbraw/zinc/88/51/28/798885128.db2.gz UORACLZWSFONFI-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001255665069 806698476 /nfs/dbraw/zinc/69/84/76/806698476.db2.gz VFOBIFZACMRDCP-LBPRGKRZSA-N 2 2 278.362 3.278 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000094901341 798971881 /nfs/dbraw/zinc/97/18/81/798971881.db2.gz XGRNIPJFTTXHOM-PBHICJAKSA-N 2 2 260.425 3.054 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000094901341 798971885 /nfs/dbraw/zinc/97/18/85/798971885.db2.gz XGRNIPJFTTXHOM-PBHICJAKSA-N 2 2 260.425 3.054 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001255696672 806709151 /nfs/dbraw/zinc/70/91/51/806709151.db2.gz GWSSKJQVZJXDQQ-AGIUHOORSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001255696672 806709152 /nfs/dbraw/zinc/70/91/52/806709152.db2.gz GWSSKJQVZJXDQQ-AGIUHOORSA-N 2 2 290.373 3.324 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255704892 806711798 /nfs/dbraw/zinc/71/17/98/806711798.db2.gz HCIOYXFMSMPUNB-NWDGAFQWSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255704892 806711806 /nfs/dbraw/zinc/71/18/06/806711806.db2.gz HCIOYXFMSMPUNB-NWDGAFQWSA-N 2 2 287.329 3.128 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000311049958 799223385 /nfs/dbraw/zinc/22/33/85/799223385.db2.gz QNZJVBOYCMKKQU-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000311049958 799223388 /nfs/dbraw/zinc/22/33/88/799223388.db2.gz QNZJVBOYCMKKQU-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000381600712 799382635 /nfs/dbraw/zinc/38/26/35/799382635.db2.gz NEGDFBGDSGNWBX-SCLBCKFNSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000381600712 799382645 /nfs/dbraw/zinc/38/26/45/799382645.db2.gz NEGDFBGDSGNWBX-SCLBCKFNSA-N 2 2 284.403 3.160 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c[nH]c21 ZINC000381760321 799387523 /nfs/dbraw/zinc/38/75/23/799387523.db2.gz OONJSZIBWDSHTK-BLLLJJGKSA-N 2 2 271.408 3.042 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)c[nH]c21 ZINC000381760321 799387530 /nfs/dbraw/zinc/38/75/30/799387530.db2.gz OONJSZIBWDSHTK-BLLLJJGKSA-N 2 2 271.408 3.042 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+]1CCCCC1 ZINC000382225717 799394342 /nfs/dbraw/zinc/39/43/42/799394342.db2.gz GEJBQZWJZTVQDB-SLTXQBBLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382280842 799395343 /nfs/dbraw/zinc/39/53/43/799395343.db2.gz OKCICFOXZQTZDK-PRLABOORSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594664 799472367 /nfs/dbraw/zinc/47/23/67/799472367.db2.gz SCIDFBBCHRPFOY-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594664 799472369 /nfs/dbraw/zinc/47/23/69/799472369.db2.gz SCIDFBBCHRPFOY-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@H]1CCCC[NH2+]C1 ZINC000696998432 799842624 /nfs/dbraw/zinc/84/26/24/799842624.db2.gz LZAAXLFDOQPNBI-ZDUSSCGKSA-N 2 2 266.816 3.162 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@H]1CCCC[NH2+]C1 ZINC000696998432 799842629 /nfs/dbraw/zinc/84/26/29/799842629.db2.gz LZAAXLFDOQPNBI-ZDUSSCGKSA-N 2 2 266.816 3.162 20 0 CGADLP CC1(C)C[C@]1(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000702031696 799901928 /nfs/dbraw/zinc/90/19/28/799901928.db2.gz ZVSCXSUKCVHUJE-QGZVFWFLSA-N 2 2 273.424 3.076 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC001255942424 806791866 /nfs/dbraw/zinc/79/18/66/806791866.db2.gz GGRIJHUWNGPUKT-NSHDSACASA-N 2 2 288.357 3.314 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001255953906 806796715 /nfs/dbraw/zinc/79/67/15/806796715.db2.gz WOERUEVKZWZDQS-CJNGLKHVSA-N 2 2 293.430 3.382 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccccc1OC ZINC001255962762 806799821 /nfs/dbraw/zinc/79/98/21/806799821.db2.gz YVTQMHRXHADGQX-OAHLLOKOSA-N 2 2 278.440 3.247 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC001255962762 806799825 /nfs/dbraw/zinc/79/98/25/806799825.db2.gz YVTQMHRXHADGQX-OAHLLOKOSA-N 2 2 278.440 3.247 20 0 CGADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC001256067103 806809580 /nfs/dbraw/zinc/80/95/80/806809580.db2.gz CKKREFRNOJERGF-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCCC(C)(C)C2)n1 ZINC000722390918 800320236 /nfs/dbraw/zinc/32/02/36/800320236.db2.gz YBDMQUYRCKNHAT-GFCCVEGCSA-N 2 2 281.469 3.263 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H](C)C1 ZINC000722392263 800320654 /nfs/dbraw/zinc/32/06/54/800320654.db2.gz SIBIMGOYYFMPTD-DYEKYZERSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722397611 800321535 /nfs/dbraw/zinc/32/15/35/800321535.db2.gz XIPZLZGTHCTICO-CHWSQXEVSA-N 2 2 281.469 3.121 20 0 CGADLP CC[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)C1CCCC1 ZINC000722398846 800322364 /nfs/dbraw/zinc/32/23/64/800322364.db2.gz XJFQARYDSLJZKF-AWEZNQCLSA-N 2 2 281.469 3.263 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722397613 800322378 /nfs/dbraw/zinc/32/23/78/800322378.db2.gz XIPZLZGTHCTICO-OLZOCXBDSA-N 2 2 281.469 3.121 20 0 CGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542328 806913547 /nfs/dbraw/zinc/91/35/47/806913547.db2.gz OLIMVTVXBMQDET-LMSBXDPUSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542328 806913553 /nfs/dbraw/zinc/91/35/53/806913553.db2.gz OLIMVTVXBMQDET-LMSBXDPUSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542328 806913559 /nfs/dbraw/zinc/91/35/59/806913559.db2.gz OLIMVTVXBMQDET-LMSBXDPUSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542328 806913566 /nfs/dbraw/zinc/91/35/66/806913566.db2.gz OLIMVTVXBMQDET-LMSBXDPUSA-N 2 2 290.426 3.329 20 0 CGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609700 806924608 /nfs/dbraw/zinc/92/46/08/806924608.db2.gz RBPMTNVQYSVYKD-SZMVWBNQSA-N 2 2 288.410 3.083 20 0 CGADLP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609700 806924613 /nfs/dbraw/zinc/92/46/13/806924613.db2.gz RBPMTNVQYSVYKD-SZMVWBNQSA-N 2 2 288.410 3.083 20 0 CGADLP COc1ccc2[nH+]c(N3C[C@@H](C[NH3+])CC[C@@H]3C)cc(C)c2c1 ZINC001164467936 806951773 /nfs/dbraw/zinc/95/17/73/806951773.db2.gz OMNCAEDUVGNVLL-UONOGXRCSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+]1CCC(N(C)c2cc(C)c3ccccc3[nH+]2)CC1 ZINC001165067056 806967834 /nfs/dbraw/zinc/96/78/34/806967834.db2.gz AIMMRUJCDBJYCW-UHFFFAOYSA-N 2 2 283.419 3.464 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001256869648 806995352 /nfs/dbraw/zinc/99/53/52/806995352.db2.gz OHHVUXNILXOVEG-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001256869648 806995354 /nfs/dbraw/zinc/99/53/54/806995354.db2.gz OHHVUXNILXOVEG-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CCCCC12CC[NH2+]CC2 ZINC001165336847 806997271 /nfs/dbraw/zinc/99/72/71/806997271.db2.gz AXAQVSUFKYGDEI-UHFFFAOYSA-N 2 2 281.403 3.347 20 0 CGADLP CCC(CC)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201523049 811883106 /nfs/dbraw/zinc/88/31/06/811883106.db2.gz CTLCDWJVFMKKRB-UHFFFAOYSA-N 2 2 262.397 3.361 20 0 CGADLP C[NH2+]Cc1cccc(-c2[nH+]ccc3c2ccn3C)c1F ZINC001244856287 803551121 /nfs/dbraw/zinc/55/11/21/803551121.db2.gz JVAIDMJIFGASRY-UHFFFAOYSA-N 2 2 269.323 3.099 20 0 CGADLP CNc1cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)cc[nH+]1 ZINC001244977072 803601342 /nfs/dbraw/zinc/60/13/42/803601342.db2.gz UQWBNYNWBNZTOI-OAHLLOKOSA-N 2 2 271.339 3.354 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)CCC[NH+]3CCCC3)ccc2c1 ZINC001137215553 803697831 /nfs/dbraw/zinc/69/78/31/803697831.db2.gz AUSBEJUJINEXLT-UHFFFAOYSA-N 2 2 297.446 3.461 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc2c1 ZINC001137215553 803697835 /nfs/dbraw/zinc/69/78/35/803697835.db2.gz AUSBEJUJINEXLT-UHFFFAOYSA-N 2 2 297.446 3.461 20 0 CGADLP Nc1cn2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001245352017 803709164 /nfs/dbraw/zinc/70/91/64/803709164.db2.gz VBGHJDCMUYSESL-OAHLLOKOSA-N 2 2 278.359 3.008 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC001137319291 803713474 /nfs/dbraw/zinc/71/34/74/803713474.db2.gz VACOCYGVNDFNBE-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC001137319291 803713477 /nfs/dbraw/zinc/71/34/77/803713477.db2.gz VACOCYGVNDFNBE-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@H+](Cc1ccc2ncccc2c1)C1CC[NH+](C)CC1 ZINC001138110588 803856445 /nfs/dbraw/zinc/85/64/45/803856445.db2.gz OIAOPZPLMAGWQO-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1ccc2ncccc2c1)C1CC[NH+](C)CC1 ZINC001138110588 803856455 /nfs/dbraw/zinc/85/64/55/803856455.db2.gz OIAOPZPLMAGWQO-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC(C)([NH3+])c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC001245906414 804033477 /nfs/dbraw/zinc/03/34/77/804033477.db2.gz FKVLWNJSXPLVSV-UHFFFAOYSA-N 2 2 292.386 3.187 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001138986934 804099964 /nfs/dbraw/zinc/09/99/64/804099964.db2.gz FPBRWVYYFNAPTJ-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001139155610 804142083 /nfs/dbraw/zinc/14/20/83/804142083.db2.gz SNCSSKODJGBHMJ-QFBILLFUSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001139155610 804142086 /nfs/dbraw/zinc/14/20/86/804142086.db2.gz SNCSSKODJGBHMJ-QFBILLFUSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001139155610 804142091 /nfs/dbraw/zinc/14/20/91/804142091.db2.gz SNCSSKODJGBHMJ-QFBILLFUSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001139155610 804142093 /nfs/dbraw/zinc/14/20/93/804142093.db2.gz SNCSSKODJGBHMJ-QFBILLFUSA-N 2 2 297.446 3.187 20 0 CGADLP CCCCC[C@H](CCC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140877 804163607 /nfs/dbraw/zinc/16/36/07/804163607.db2.gz GZJVVZUXIGBGLZ-DLBZAZTESA-N 3 2 295.515 3.199 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246157753 804173884 /nfs/dbraw/zinc/17/38/84/804173884.db2.gz DKRUTAGRZIMPIW-CABCVRRESA-N 2 2 282.378 3.365 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Cl)CC[NH2+]1 ZINC001246177710 804191959 /nfs/dbraw/zinc/19/19/59/804191959.db2.gz DEMBXRUJKICBIC-ZFWWWQNUSA-N 2 2 284.806 3.345 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246185198 804197330 /nfs/dbraw/zinc/19/73/30/804197330.db2.gz AXXWLDPABFXOMH-BTTYYORXSA-N 2 2 294.414 3.233 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246217965 804213267 /nfs/dbraw/zinc/21/32/67/804213267.db2.gz OUEFLQFIWTUVGB-GVDBMIGSSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1c(C[NH2+][C@H]2CCCC[NH2+]C2)cccc1C(F)(F)F ZINC001246229550 804221504 /nfs/dbraw/zinc/22/15/04/804221504.db2.gz DIUJBIWPSGTNOE-ZDUSSCGKSA-N 2 2 286.341 3.246 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246228562 804222605 /nfs/dbraw/zinc/22/26/05/804222605.db2.gz XZTCMAULVXCKHX-SKDRFNHKSA-N 2 2 290.304 3.075 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC001246232118 804225333 /nfs/dbraw/zinc/22/53/33/804225333.db2.gz QQDIUXUTJJZYNA-QWRGUYRKSA-N 2 2 285.229 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccc2ccccc2c1 ZINC001246243447 804235059 /nfs/dbraw/zinc/23/50/59/804235059.db2.gz JFLJINMIZINOML-AHIWAGSCSA-N 2 2 254.377 3.241 20 0 CGADLP CC[C@@H]1CC([NH2+][C@@H]2COc3ccc(F)cc32)C[C@@H](CC)[NH2+]1 ZINC001246278598 804254435 /nfs/dbraw/zinc/25/44/35/804254435.db2.gz LKGIORHQWVCNOB-XJKCOSOUSA-N 2 2 292.398 3.158 20 0 CGADLP CCCCCC1CCC([NH2+]CCC[N@H+](C)CCC[NH3+])CC1 ZINC001246284303 804258739 /nfs/dbraw/zinc/25/87/39/804258739.db2.gz LTADXNNFZWWCAH-UHFFFAOYSA-N 3 2 297.531 3.386 20 0 CGADLP CCCCCC1CCC([NH2+]CCC[N@@H+](C)CCC[NH3+])CC1 ZINC001246284303 804258748 /nfs/dbraw/zinc/25/87/48/804258748.db2.gz LTADXNNFZWWCAH-UHFFFAOYSA-N 3 2 297.531 3.386 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246295108 804264027 /nfs/dbraw/zinc/26/40/27/804264027.db2.gz XOYVYGNOZCBQKK-HFBAOOFYSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246311967 804273598 /nfs/dbraw/zinc/27/35/98/804273598.db2.gz AZPAZQQWAPYPHY-BPUTZDHNSA-N 2 2 260.425 3.491 20 0 CGADLP CCCCC[C@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246336460 804291506 /nfs/dbraw/zinc/29/15/06/804291506.db2.gz NFWRBFGDODSDAT-UONOGXRCSA-N 2 2 258.475 3.030 20 0 CGADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC001246352077 804299563 /nfs/dbraw/zinc/29/95/63/804299563.db2.gz XLRRXZSGMNGACP-NSHDSACASA-N 2 2 286.341 3.282 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001246364026 804305834 /nfs/dbraw/zinc/30/58/34/804305834.db2.gz RVGAWHSUAOTHSM-SWHYSGLUSA-N 2 2 297.240 3.240 20 0 CGADLP Clc1cccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246370958 804308752 /nfs/dbraw/zinc/30/87/52/804308752.db2.gz YMSXPZCSNKNQKI-AWEZNQCLSA-N 2 2 264.800 3.061 20 0 CGADLP FC(F)(F)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246411230 804325911 /nfs/dbraw/zinc/32/59/11/804325911.db2.gz AEYWLGKAQILHPD-TZMCWYRMSA-N 2 2 284.325 3.034 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(F)(F)CC1 ZINC001140023439 804354774 /nfs/dbraw/zinc/35/47/74/804354774.db2.gz OOOKFJQJFUDUJY-UHFFFAOYSA-N 2 2 291.345 3.412 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001140026978 804355692 /nfs/dbraw/zinc/35/56/92/804355692.db2.gz SDZYSQKWIZCJJU-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001140026978 804355700 /nfs/dbraw/zinc/35/57/00/804355700.db2.gz SDZYSQKWIZCJJU-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246508093 804366262 /nfs/dbraw/zinc/36/62/62/804366262.db2.gz CWSUBWVMLIRTCP-IEBWSBKVSA-N 2 2 298.430 3.306 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1OC)C1CC[NH+](C)CC1 ZINC001140067535 804368699 /nfs/dbraw/zinc/36/86/99/804368699.db2.gz MXUJSNZLNKEROL-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1OC)C1CC[NH+](C)CC1 ZINC001140067535 804368702 /nfs/dbraw/zinc/36/87/02/804368702.db2.gz MXUJSNZLNKEROL-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526970 804380058 /nfs/dbraw/zinc/38/00/58/804380058.db2.gz CSSYHIGJFZTOOW-FZMZJTMJSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526970 804380065 /nfs/dbraw/zinc/38/00/65/804380065.db2.gz CSSYHIGJFZTOOW-FZMZJTMJSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540197 804387167 /nfs/dbraw/zinc/38/71/67/804387167.db2.gz LRCNRDVRABBYCT-XJKSGUPXSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540197 804387174 /nfs/dbraw/zinc/38/71/74/804387174.db2.gz LRCNRDVRABBYCT-XJKSGUPXSA-N 2 2 278.827 3.011 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246564023 804413727 /nfs/dbraw/zinc/41/37/27/804413727.db2.gz CUKXJBVLPZLQIK-YCPHGPKFSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246564023 804413731 /nfs/dbraw/zinc/41/37/31/804413731.db2.gz CUKXJBVLPZLQIK-YCPHGPKFSA-N 2 2 278.465 3.145 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588154 804432165 /nfs/dbraw/zinc/43/21/65/804432165.db2.gz KCAKXLYUWFJOTE-LLVKDONJSA-N 2 2 284.856 3.101 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246611394 804444312 /nfs/dbraw/zinc/44/43/12/804444312.db2.gz PKSUSSNLAQJGSP-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246611394 804444314 /nfs/dbraw/zinc/44/43/14/804444314.db2.gz PKSUSSNLAQJGSP-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614947 804448722 /nfs/dbraw/zinc/44/87/22/804448722.db2.gz PLHCEMZAMPAGQD-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614947 804448725 /nfs/dbraw/zinc/44/87/25/804448725.db2.gz PLHCEMZAMPAGQD-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP CC1CCC([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246621636 804455839 /nfs/dbraw/zinc/45/58/39/804455839.db2.gz VUKXDUNQAQOGJA-MZQWUDBDSA-N 2 2 270.420 3.136 20 0 CGADLP CC1CCC([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246621636 804455840 /nfs/dbraw/zinc/45/58/40/804455840.db2.gz VUKXDUNQAQOGJA-MZQWUDBDSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632187 804461970 /nfs/dbraw/zinc/46/19/70/804461970.db2.gz UQXFYMYDECXNKJ-WBMJQRKESA-N 2 2 296.817 3.096 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632187 804461976 /nfs/dbraw/zinc/46/19/76/804461976.db2.gz UQXFYMYDECXNKJ-WBMJQRKESA-N 2 2 296.817 3.096 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246646476 804473741 /nfs/dbraw/zinc/47/37/41/804473741.db2.gz FGBSXDICBXMATO-CJNGLKHVSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246646476 804473742 /nfs/dbraw/zinc/47/37/42/804473742.db2.gz FGBSXDICBXMATO-CJNGLKHVSA-N 2 2 294.439 3.134 20 0 CGADLP CCC[C@@H](CC)[N@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246660006 804483796 /nfs/dbraw/zinc/48/37/96/804483796.db2.gz AIKTZNRECMYALW-HYVNUMGLSA-N 2 2 258.409 3.136 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246660006 804483800 /nfs/dbraw/zinc/48/38/00/804483800.db2.gz AIKTZNRECMYALW-HYVNUMGLSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779390 804506655 /nfs/dbraw/zinc/50/66/55/804506655.db2.gz SNKHBDBSVNBFQX-WMLDXEAASA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779390 804506661 /nfs/dbraw/zinc/50/66/61/804506661.db2.gz SNKHBDBSVNBFQX-WMLDXEAASA-N 2 2 268.404 3.412 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246820070 804534932 /nfs/dbraw/zinc/53/49/32/804534932.db2.gz DYJUEIKZZGKIMZ-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246820070 804534935 /nfs/dbraw/zinc/53/49/35/804534935.db2.gz DYJUEIKZZGKIMZ-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)C[NH2+]1 ZINC001246821990 804535037 /nfs/dbraw/zinc/53/50/37/804535037.db2.gz JXVDCAGQDHJURX-RHSMWYFYSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246820242 804535226 /nfs/dbraw/zinc/53/52/26/804535226.db2.gz HYYMYFQHEAWEBH-MRVWCRGKSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246820242 804535230 /nfs/dbraw/zinc/53/52/30/804535230.db2.gz HYYMYFQHEAWEBH-MRVWCRGKSA-N 2 2 278.827 3.009 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246820067 804535239 /nfs/dbraw/zinc/53/52/39/804535239.db2.gz DYJUEIKZZGKIMZ-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246820067 804535244 /nfs/dbraw/zinc/53/52/44/804535244.db2.gz DYJUEIKZZGKIMZ-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)C[C@H](C)[NH2+]1 ZINC001246845192 804554182 /nfs/dbraw/zinc/55/41/82/804554182.db2.gz DTGYNUNYAUEFRI-DABQJJPHSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C[C@H](C)[NH2+]1 ZINC001246845192 804554188 /nfs/dbraw/zinc/55/41/88/804554188.db2.gz DTGYNUNYAUEFRI-DABQJJPHSA-N 2 2 278.827 3.227 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)cc2[nH+]1 ZINC001141046203 804579015 /nfs/dbraw/zinc/57/90/15/804579015.db2.gz QMYZPTFJOQKMOB-HZPDHXFCSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)cc2[nH+]1 ZINC001141046203 804579017 /nfs/dbraw/zinc/57/90/17/804579017.db2.gz QMYZPTFJOQKMOB-HZPDHXFCSA-N 2 2 269.392 3.489 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]C1 ZINC001246892401 804582859 /nfs/dbraw/zinc/58/28/59/804582859.db2.gz CCZATIPJDABZSA-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]C1 ZINC001246892401 804582864 /nfs/dbraw/zinc/58/28/64/804582864.db2.gz CCZATIPJDABZSA-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+](CC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246893015 804583839 /nfs/dbraw/zinc/58/38/39/804583839.db2.gz QJNGEONKFQCGGZ-NSHDSACASA-N 2 2 272.845 3.101 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246893015 804583843 /nfs/dbraw/zinc/58/38/43/804583843.db2.gz QJNGEONKFQCGGZ-NSHDSACASA-N 2 2 272.845 3.101 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[NH2+]C2)cc1C ZINC001246908613 804592835 /nfs/dbraw/zinc/59/28/35/804592835.db2.gz LSXXCCVXLNNQPA-IRXDYDNUSA-N 2 2 258.409 3.192 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@H+]2[C@H]2CC[NH2+]C2)cc1C ZINC001246908613 804592840 /nfs/dbraw/zinc/59/28/40/804592840.db2.gz LSXXCCVXLNNQPA-IRXDYDNUSA-N 2 2 258.409 3.192 20 0 CGADLP c1ccc(C[N@@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246924464 804603715 /nfs/dbraw/zinc/60/37/15/804603715.db2.gz MQJOCEJWVILHAI-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]([C@@H]2CCCSC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246924464 804603718 /nfs/dbraw/zinc/60/37/18/804603718.db2.gz MQJOCEJWVILHAI-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001246940542 804610493 /nfs/dbraw/zinc/61/04/93/804610493.db2.gz WITBSRZFCKCUDR-JMSVASOKSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001246940542 804610495 /nfs/dbraw/zinc/61/04/95/804610495.db2.gz WITBSRZFCKCUDR-JMSVASOKSA-N 2 2 266.816 3.083 20 0 CGADLP CCCC[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949178 804616150 /nfs/dbraw/zinc/61/61/50/804616150.db2.gz NDCQLUUSRQKFCC-DOTOQJQBSA-N 2 2 275.440 3.214 20 0 CGADLP CCCC[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949178 804616153 /nfs/dbraw/zinc/61/61/53/804616153.db2.gz NDCQLUUSRQKFCC-DOTOQJQBSA-N 2 2 275.440 3.214 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246968796 804621223 /nfs/dbraw/zinc/62/12/23/804621223.db2.gz XUFKRRUBZFXMHF-ZWKOTPCHSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246968796 804621225 /nfs/dbraw/zinc/62/12/25/804621225.db2.gz XUFKRRUBZFXMHF-ZWKOTPCHSA-N 2 2 289.467 3.460 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979278 804625502 /nfs/dbraw/zinc/62/55/02/804625502.db2.gz OHBIWJOSWIHYTN-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979278 804625505 /nfs/dbraw/zinc/62/55/05/804625505.db2.gz OHBIWJOSWIHYTN-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978027 804626152 /nfs/dbraw/zinc/62/61/52/804626152.db2.gz IPOQSHDOKOUTJD-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978027 804626154 /nfs/dbraw/zinc/62/61/54/804626154.db2.gz IPOQSHDOKOUTJD-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142696133 804760011 /nfs/dbraw/zinc/76/00/11/804760011.db2.gz HXMZULWHRZCKOQ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CC[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH+](C)CC1 ZINC001143586778 804870874 /nfs/dbraw/zinc/87/08/74/804870874.db2.gz WIJLKYPARXVRJV-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH+](C)CC1 ZINC001143586778 804870881 /nfs/dbraw/zinc/87/08/81/804870881.db2.gz WIJLKYPARXVRJV-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(F)c1F ZINC001143607674 804875322 /nfs/dbraw/zinc/87/53/22/804875322.db2.gz VHSQJGYPOKYORW-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(F)c1F ZINC001143607674 804875329 /nfs/dbraw/zinc/87/53/29/804875329.db2.gz VHSQJGYPOKYORW-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP C[C@H]1CC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001257099561 807051462 /nfs/dbraw/zinc/05/14/62/807051462.db2.gz CZXSKHDWIRELAA-GJZGRUSLSA-N 2 2 299.418 3.260 20 0 CGADLP C[C@H]1CC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001257099561 807051469 /nfs/dbraw/zinc/05/14/69/807051469.db2.gz CZXSKHDWIRELAA-GJZGRUSLSA-N 2 2 299.418 3.260 20 0 CGADLP Cc1cc(Nc2ccc3c[nH+]ccc3c2)c[nH+]c1N ZINC001249784327 805243215 /nfs/dbraw/zinc/24/32/15/805243215.db2.gz NMQSEPWOWHNNEF-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP CSc1c[nH+]c(NC[C@H]2CCC[NH2+]C[C@@H]2C)c(C)c1 ZINC001155029192 805526467 /nfs/dbraw/zinc/52/64/67/805526467.db2.gz FBDCKVWGJSLLFS-QWHCGFSZSA-N 2 2 279.453 3.160 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2[nH+]cccc2-n2cccc2)C1 ZINC001165262000 806983513 /nfs/dbraw/zinc/98/35/13/806983513.db2.gz VOHOEWLQLDTUAF-OAHLLOKOSA-N 2 2 284.407 3.016 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2[nH+]cccc2-n2cccc2)C1 ZINC001165262000 806983516 /nfs/dbraw/zinc/98/35/16/806983516.db2.gz VOHOEWLQLDTUAF-OAHLLOKOSA-N 2 2 284.407 3.016 20 0 CGADLP CC(C)c1ccc(N2CCCCC23CC[NH2+]CC3)[nH+]c1 ZINC001165339020 806997967 /nfs/dbraw/zinc/99/79/67/806997967.db2.gz OKYVCAHOUZFJLM-UHFFFAOYSA-N 2 2 273.424 3.318 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299131 807094310 /nfs/dbraw/zinc/09/43/10/807094310.db2.gz UMDKUINHGOHFLW-ZFWWWQNUSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299131 807094318 /nfs/dbraw/zinc/09/43/18/807094318.db2.gz UMDKUINHGOHFLW-ZFWWWQNUSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257299131 807094326 /nfs/dbraw/zinc/09/43/26/807094326.db2.gz UMDKUINHGOHFLW-ZFWWWQNUSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257299131 807094333 /nfs/dbraw/zinc/09/43/33/807094333.db2.gz UMDKUINHGOHFLW-ZFWWWQNUSA-N 2 2 293.480 3.228 20 0 CGADLP CCCC[C@@H](CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001257426625 807150953 /nfs/dbraw/zinc/15/09/53/807150953.db2.gz QTUYNYPIZFEBIK-OAHLLOKOSA-N 2 2 291.439 3.181 20 0 CGADLP CCCC[NH+](CCCC)CCNc1cc(N)c(F)c[nH+]1 ZINC001167733417 807235897 /nfs/dbraw/zinc/23/58/97/807235897.db2.gz UPHCMSDTYNJPMF-UHFFFAOYSA-N 2 2 282.407 3.117 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258098761 807307789 /nfs/dbraw/zinc/30/77/89/807307789.db2.gz CPRPIBNXGBMJFX-SFHVURJKSA-N 3 2 297.531 3.327 20 0 CGADLP C[C@H]1CC([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)C1 ZINC001258171424 807337915 /nfs/dbraw/zinc/33/79/15/807337915.db2.gz YKRBUOUHTUKKTF-JHNDHUHGSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@H]1CC([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)C1 ZINC001258171424 807337923 /nfs/dbraw/zinc/33/79/23/807337923.db2.gz YKRBUOUHTUKKTF-JHNDHUHGSA-N 2 2 282.447 3.319 20 0 CGADLP CSCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258211176 807367331 /nfs/dbraw/zinc/36/73/31/807367331.db2.gz GQEIKXSMSFMVTH-LBPRGKRZSA-N 2 2 275.421 3.323 20 0 CGADLP CSC(C)(C)C[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258341883 807418679 /nfs/dbraw/zinc/41/86/79/807418679.db2.gz OZYLTTNQOAWPSW-CHWSQXEVSA-N 2 2 281.469 3.443 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001168477022 807430750 /nfs/dbraw/zinc/43/07/50/807430750.db2.gz XIJJKCRRYKXUQG-OAHLLOKOSA-N 2 2 290.426 3.317 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001258648488 807521305 /nfs/dbraw/zinc/52/13/05/807521305.db2.gz CHMIZLVPXHVABS-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001258648488 807521309 /nfs/dbraw/zinc/52/13/09/807521309.db2.gz CHMIZLVPXHVABS-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001258711089 807564384 /nfs/dbraw/zinc/56/43/84/807564384.db2.gz ZKUXRVVBUYIHHP-QGZVFWFLSA-N 2 2 285.435 3.354 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258742339 807586137 /nfs/dbraw/zinc/58/61/37/807586137.db2.gz WMIQJFMKBPVWFH-GUYCJALGSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258742339 807586143 /nfs/dbraw/zinc/58/61/43/807586143.db2.gz WMIQJFMKBPVWFH-GUYCJALGSA-N 2 2 292.854 3.345 20 0 CGADLP CCCC[C@@H](CCC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258759868 807598467 /nfs/dbraw/zinc/59/84/67/807598467.db2.gz ZMMGDTAAHWGEJD-CQSZACIVSA-N 2 2 250.386 3.409 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)no2)CC1 ZINC001258764940 807601418 /nfs/dbraw/zinc/60/14/18/807601418.db2.gz ZHWQPVXJUTXOLZ-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3ccccc3OC)CCC2)CC1 ZINC001169237963 807611186 /nfs/dbraw/zinc/61/11/86/807611186.db2.gz DIPQHVZUFAGHRX-UHFFFAOYSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258815328 807633676 /nfs/dbraw/zinc/63/36/76/807633676.db2.gz USUJHRUWXCRBSQ-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258815328 807633683 /nfs/dbraw/zinc/63/36/83/807633683.db2.gz USUJHRUWXCRBSQ-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[NH2+]2)nc(-c2ccccc2)[nH+]1 ZINC001169560770 807666736 /nfs/dbraw/zinc/66/67/36/807666736.db2.gz AXRVJHBWTATWML-OAHLLOKOSA-N 2 2 282.391 3.006 20 0 CGADLP c1cc(-c2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2)ccn1 ZINC001169793676 807708778 /nfs/dbraw/zinc/70/87/78/807708778.db2.gz WWDFWFYBTUUNFL-UHFFFAOYSA-N 2 2 294.402 3.041 20 0 CGADLP CN(c1ccc2c(c1)[nH+]cn2-c1ccccc1)C(C)(C)C[NH3+] ZINC001170059227 807743748 /nfs/dbraw/zinc/74/37/48/807743748.db2.gz QDAREQMLKJEAQT-UHFFFAOYSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)C2)C1 ZINC001170160291 807781307 /nfs/dbraw/zinc/78/13/07/807781307.db2.gz HVCYCDJHIUEQRW-VHDGCEQUSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)C2)C1 ZINC001170160291 807781311 /nfs/dbraw/zinc/78/13/11/807781311.db2.gz HVCYCDJHIUEQRW-VHDGCEQUSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1cc(F)cc(N2CCC(C)([NH+]3CCCCC3)CC2)[nH+]1 ZINC001262704176 807899010 /nfs/dbraw/zinc/89/90/10/807899010.db2.gz MEUHGUUMUISUSE-UHFFFAOYSA-N 2 2 291.414 3.374 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@H](Nc3[nH+]ccc4cc(F)ccc43)[C@H]2C1 ZINC001262725281 807901529 /nfs/dbraw/zinc/90/15/29/807901529.db2.gz SXTNJXPLVJQRFL-RCBQFDQVSA-N 2 2 285.366 3.126 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@H](Nc3[nH+]ccc4cc(F)ccc43)[C@H]2C1 ZINC001262725281 807901532 /nfs/dbraw/zinc/90/15/32/807901532.db2.gz SXTNJXPLVJQRFL-RCBQFDQVSA-N 2 2 285.366 3.126 20 0 CGADLP C[NH+]1CC(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171146293 807997185 /nfs/dbraw/zinc/99/71/85/807997185.db2.gz BHCKLQFYPFCQRB-ZDUSSCGKSA-N 2 2 299.245 3.002 20 0 CGADLP Fc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171437990 808056977 /nfs/dbraw/zinc/05/69/77/808056977.db2.gz OOGCKGKLSQYVNR-HUUCEWRRSA-N 2 2 299.393 3.219 20 0 CGADLP C[C@H]1C[C@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]2O1 ZINC001171635435 808109883 /nfs/dbraw/zinc/10/98/83/808109883.db2.gz ZRSULEHQEIALLK-OFQRWUPVSA-N 2 2 294.483 3.137 20 0 CGADLP C[C@H]1C[C@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC[C@H]2O1 ZINC001171635435 808109888 /nfs/dbraw/zinc/10/98/88/808109888.db2.gz ZRSULEHQEIALLK-OFQRWUPVSA-N 2 2 294.483 3.137 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001171683092 808123042 /nfs/dbraw/zinc/12/30/42/808123042.db2.gz ZGKZVLXYCUQXCK-QXAKKESOSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001171683092 808123045 /nfs/dbraw/zinc/12/30/45/808123045.db2.gz ZGKZVLXYCUQXCK-QXAKKESOSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001171683092 808123048 /nfs/dbraw/zinc/12/30/48/808123048.db2.gz ZGKZVLXYCUQXCK-QXAKKESOSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001171683092 808123050 /nfs/dbraw/zinc/12/30/50/808123050.db2.gz ZGKZVLXYCUQXCK-QXAKKESOSA-N 2 2 286.463 3.342 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001172105985 808175697 /nfs/dbraw/zinc/17/56/97/808175697.db2.gz LXCSGYVBGZHZRL-CLLJXQQHSA-N 2 2 298.352 3.209 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001172105985 808175701 /nfs/dbraw/zinc/17/57/01/808175701.db2.gz LXCSGYVBGZHZRL-CLLJXQQHSA-N 2 2 298.352 3.209 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172190063 808192453 /nfs/dbraw/zinc/19/24/53/808192453.db2.gz IVNPHUDFTMVRGS-KRWDZBQOSA-N 2 2 298.455 3.164 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172190063 808192456 /nfs/dbraw/zinc/19/24/56/808192456.db2.gz IVNPHUDFTMVRGS-KRWDZBQOSA-N 2 2 298.455 3.164 20 0 CGADLP CC(C)COCC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172481705 808345141 /nfs/dbraw/zinc/34/51/41/808345141.db2.gz VLILXKCYVJMCQF-MRXNPFEDSA-N 2 2 284.488 3.242 20 0 CGADLP CC(C)COCC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172481705 808345150 /nfs/dbraw/zinc/34/51/50/808345150.db2.gz VLILXKCYVJMCQF-MRXNPFEDSA-N 2 2 284.488 3.242 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001173237837 808545779 /nfs/dbraw/zinc/54/57/79/808545779.db2.gz FJVCTMIBMSOJTD-BEFAXECRSA-N 2 2 286.463 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC001173237837 808545781 /nfs/dbraw/zinc/54/57/81/808545781.db2.gz FJVCTMIBMSOJTD-BEFAXECRSA-N 2 2 286.463 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001173248768 808556869 /nfs/dbraw/zinc/55/68/69/808556869.db2.gz IEQULOWAKPQCNK-CRAIPNDOSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001173248768 808556873 /nfs/dbraw/zinc/55/68/73/808556873.db2.gz IEQULOWAKPQCNK-CRAIPNDOSA-N 2 2 274.452 3.254 20 0 CGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001173294793 808593282 /nfs/dbraw/zinc/59/32/82/808593282.db2.gz HUQZPKBTBQGTOI-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP CCSC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001173294793 808593285 /nfs/dbraw/zinc/59/32/85/808593285.db2.gz HUQZPKBTBQGTOI-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP CCSC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001173302712 808600692 /nfs/dbraw/zinc/60/06/92/808600692.db2.gz TWLMAZIFUDSPQW-GFCCVEGCSA-N 2 2 275.421 3.323 20 0 CGADLP C1=CC[C@@H](C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CC1 ZINC001275040437 808901039 /nfs/dbraw/zinc/90/10/39/808901039.db2.gz KCBALPJNDRUEMA-SOLBZPMBSA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@@H](C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CC1 ZINC001275040437 808901045 /nfs/dbraw/zinc/90/10/45/808901045.db2.gz KCBALPJNDRUEMA-SOLBZPMBSA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@@H](C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)CC1 ZINC001275040437 808901051 /nfs/dbraw/zinc/90/10/51/808901051.db2.gz KCBALPJNDRUEMA-SOLBZPMBSA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@@H](C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CC1 ZINC001275040437 808901059 /nfs/dbraw/zinc/90/10/59/808901059.db2.gz KCBALPJNDRUEMA-SOLBZPMBSA-N 2 2 274.452 3.291 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001275764837 808964461 /nfs/dbraw/zinc/96/44/61/808964461.db2.gz FLZFZNUOQCRRMM-UHFFFAOYSA-N 2 2 292.426 3.491 20 0 CGADLP C[N@H+]1CCC2(C[NH+](Cc3ccccc3-c3ccccc3)C2)C1 ZINC001275764837 808964464 /nfs/dbraw/zinc/96/44/64/808964464.db2.gz FLZFZNUOQCRRMM-UHFFFAOYSA-N 2 2 292.426 3.491 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)nc1 ZINC001275872514 808973088 /nfs/dbraw/zinc/97/30/88/808973088.db2.gz JCXKDSSWIXTJGR-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)nc1 ZINC001275872514 808973094 /nfs/dbraw/zinc/97/30/94/808973094.db2.gz JCXKDSSWIXTJGR-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC001275872514 808973095 /nfs/dbraw/zinc/97/30/95/808973095.db2.gz JCXKDSSWIXTJGR-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)nc1 ZINC001275872514 808973102 /nfs/dbraw/zinc/97/31/02/808973102.db2.gz JCXKDSSWIXTJGR-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001179168802 809907416 /nfs/dbraw/zinc/90/74/16/809907416.db2.gz JYELZCUAVMABDN-BPQIPLTHSA-N 2 2 294.483 3.331 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001179168802 809907419 /nfs/dbraw/zinc/90/74/19/809907419.db2.gz JYELZCUAVMABDN-BPQIPLTHSA-N 2 2 294.483 3.331 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001179168804 809907520 /nfs/dbraw/zinc/90/75/20/809907520.db2.gz JYELZCUAVMABDN-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001179168804 809907522 /nfs/dbraw/zinc/90/75/22/809907522.db2.gz JYELZCUAVMABDN-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(OC)CCCCCC1 ZINC001179952085 809962673 /nfs/dbraw/zinc/96/26/73/809962673.db2.gz OFSZOZXOUIGREN-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(OC)CCCCCC1 ZINC001179952085 809962676 /nfs/dbraw/zinc/96/26/76/809962676.db2.gz OFSZOZXOUIGREN-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(OC)CCCCCC1 ZINC001179952085 809962679 /nfs/dbraw/zinc/96/26/79/809962679.db2.gz OFSZOZXOUIGREN-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(OC)CCCCCC1 ZINC001179952085 809962682 /nfs/dbraw/zinc/96/26/82/809962682.db2.gz OFSZOZXOUIGREN-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435302 810053119 /nfs/dbraw/zinc/05/31/19/810053119.db2.gz BYKLZJHJORHEDL-OEAJRASXSA-N 2 2 264.457 3.131 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435302 810053123 /nfs/dbraw/zinc/05/31/23/810053123.db2.gz BYKLZJHJORHEDL-OEAJRASXSA-N 2 2 264.457 3.131 20 0 CGADLP Cc1ccc(SCC[NH2+]C(C)(C)C[NH+](C)C)cc1C ZINC001194899678 811166016 /nfs/dbraw/zinc/16/60/16/811166016.db2.gz UEXIHGNHCPMYAY-UHFFFAOYSA-N 2 2 280.481 3.325 20 0 CGADLP Cc1cc(C)cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001198770637 811542376 /nfs/dbraw/zinc/54/23/76/811542376.db2.gz SIYIBEUTDBEZGE-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC3CCSCC3)c2)c[nH+]1 ZINC001200355460 811680420 /nfs/dbraw/zinc/68/04/20/811680420.db2.gz IKYJMZPRVXCOID-UHFFFAOYSA-N 2 2 293.461 3.167 20 0 CGADLP CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC001200864266 811758378 /nfs/dbraw/zinc/75/83/78/811758378.db2.gz VASGIXUWVUNTMU-UHFFFAOYSA-N 2 2 261.394 3.214 20 0 CGADLP Cc1coc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC001200921133 811766798 /nfs/dbraw/zinc/76/67/98/811766798.db2.gz CUKXCHLFXTZSCV-UHFFFAOYSA-N 2 2 252.402 3.187 20 0 CGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)c1 ZINC001201388668 811823703 /nfs/dbraw/zinc/82/37/03/811823703.db2.gz DJHROOMITKLRCO-OALUTQOASA-N 2 2 299.462 3.026 20 0 CGADLP CC(C)[N@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC001201401746 811831753 /nfs/dbraw/zinc/83/17/53/811831753.db2.gz SRWKUVUFHRODFN-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC001201401746 811831761 /nfs/dbraw/zinc/83/17/61/811831761.db2.gz SRWKUVUFHRODFN-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621208 811921136 /nfs/dbraw/zinc/92/11/36/811921136.db2.gz ZXDHWDAXHDHNPH-HUUCEWRRSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621208 811921141 /nfs/dbraw/zinc/92/11/41/811921141.db2.gz ZXDHWDAXHDHNPH-HUUCEWRRSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201621208 811921144 /nfs/dbraw/zinc/92/11/44/811921144.db2.gz ZXDHWDAXHDHNPH-HUUCEWRRSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201621208 811921147 /nfs/dbraw/zinc/92/11/47/811921147.db2.gz ZXDHWDAXHDHNPH-HUUCEWRRSA-N 2 2 293.480 3.085 20 0 CGADLP CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201746999 811956896 /nfs/dbraw/zinc/95/68/96/811956896.db2.gz RMDIDNAOXSYTAA-HDICACEKSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201746999 811956900 /nfs/dbraw/zinc/95/69/00/811956900.db2.gz RMDIDNAOXSYTAA-HDICACEKSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201746999 811956906 /nfs/dbraw/zinc/95/69/06/811956906.db2.gz RMDIDNAOXSYTAA-HDICACEKSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201746999 811956910 /nfs/dbraw/zinc/95/69/10/811956910.db2.gz RMDIDNAOXSYTAA-HDICACEKSA-N 2 2 287.451 3.026 20 0 CGADLP C[NH+]1CCC([N@H+](CCC(F)(F)F)C2CCCC2)CC1 ZINC001202368901 812079538 /nfs/dbraw/zinc/07/95/38/812079538.db2.gz YMXWPFDZLLEYBQ-UHFFFAOYSA-N 2 2 278.362 3.278 20 0 CGADLP C[NH+]1CCC([N@@H+](CCC(F)(F)F)C2CCCC2)CC1 ZINC001202368901 812079548 /nfs/dbraw/zinc/07/95/48/812079548.db2.gz YMXWPFDZLLEYBQ-UHFFFAOYSA-N 2 2 278.362 3.278 20 0 CGADLP COc1ccc2c(Nc3c[nH+]ccc3OC)cc[nH+]c2c1 ZINC001203522972 812383083 /nfs/dbraw/zinc/38/30/83/812383083.db2.gz OETALZYBRVAWJA-UHFFFAOYSA-N 2 2 281.315 3.391 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001203803124 812466770 /nfs/dbraw/zinc/46/67/70/812466770.db2.gz PQANBZBCBWUDGQ-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001203803124 812466777 /nfs/dbraw/zinc/46/67/77/812466777.db2.gz PQANBZBCBWUDGQ-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001203803124 812466780 /nfs/dbraw/zinc/46/67/80/812466780.db2.gz PQANBZBCBWUDGQ-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001203803124 812466783 /nfs/dbraw/zinc/46/67/83/812466783.db2.gz PQANBZBCBWUDGQ-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)cc1 ZINC001203967432 812503562 /nfs/dbraw/zinc/50/35/62/812503562.db2.gz KJZJMNTTXKLNGQ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[N@H+](Cc1ccccn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204066257 812539218 /nfs/dbraw/zinc/53/92/18/812539218.db2.gz XFRXHDDUURWTET-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP C[N@@H+](Cc1ccccn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204066257 812539219 /nfs/dbraw/zinc/53/92/19/812539219.db2.gz XFRXHDDUURWTET-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP Cc1csc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001204379835 812624413 /nfs/dbraw/zinc/62/44/13/812624413.db2.gz UENRYDRWXKJJFO-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001204379835 812624417 /nfs/dbraw/zinc/62/44/17/812624417.db2.gz UENRYDRWXKJJFO-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204379835 812624419 /nfs/dbraw/zinc/62/44/19/812624419.db2.gz UENRYDRWXKJJFO-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204379835 812624423 /nfs/dbraw/zinc/62/44/23/812624423.db2.gz UENRYDRWXKJJFO-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC001204458119 812646545 /nfs/dbraw/zinc/64/65/45/812646545.db2.gz UUTDJWDTLAMKCS-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC001204458119 812646548 /nfs/dbraw/zinc/64/65/48/812646548.db2.gz UUTDJWDTLAMKCS-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204770343 812730918 /nfs/dbraw/zinc/73/09/18/812730918.db2.gz DSMPLYQOPTUFBT-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204770343 812730921 /nfs/dbraw/zinc/73/09/21/812730921.db2.gz DSMPLYQOPTUFBT-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204792635 812738062 /nfs/dbraw/zinc/73/80/62/812738062.db2.gz XODBYYTVGXIBQG-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204792635 812738064 /nfs/dbraw/zinc/73/80/64/812738064.db2.gz XODBYYTVGXIBQG-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204801046 812740338 /nfs/dbraw/zinc/74/03/38/812740338.db2.gz IYGIXTYXGNRBPZ-HXUWFJFHSA-N 2 2 294.442 3.395 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204801046 812740345 /nfs/dbraw/zinc/74/03/45/812740345.db2.gz IYGIXTYXGNRBPZ-HXUWFJFHSA-N 2 2 294.442 3.395 20 0 CGADLP CC[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC001204836239 812750649 /nfs/dbraw/zinc/75/06/49/812750649.db2.gz IVXPUKCTOAFHTK-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC001204836239 812750653 /nfs/dbraw/zinc/75/06/53/812750653.db2.gz IVXPUKCTOAFHTK-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1C(C)C ZINC001204931916 812781982 /nfs/dbraw/zinc/78/19/82/812781982.db2.gz GOXAEVDPZYXFFL-INIZCTEOSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])cc1C(C)C ZINC001204931916 812781989 /nfs/dbraw/zinc/78/19/89/812781989.db2.gz GOXAEVDPZYXFFL-INIZCTEOSA-N 2 2 290.451 3.440 20 0 CGADLP C[NH+](C)CCc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204990618 812811304 /nfs/dbraw/zinc/81/13/04/812811304.db2.gz CDKTYFDAOHRZES-UHFFFAOYSA-N 2 2 280.375 3.182 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064883 812844774 /nfs/dbraw/zinc/84/47/74/812844774.db2.gz ZNBLRSGKTLOIJF-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064883 812844783 /nfs/dbraw/zinc/84/47/83/812844783.db2.gz ZNBLRSGKTLOIJF-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP CCCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205068088 812846795 /nfs/dbraw/zinc/84/67/95/812846795.db2.gz AGYCSRPBJCWYAC-RYUDHWBXSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205068088 812846803 /nfs/dbraw/zinc/84/68/03/812846803.db2.gz AGYCSRPBJCWYAC-RYUDHWBXSA-N 2 2 252.427 3.012 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001205068169 812847576 /nfs/dbraw/zinc/84/75/76/812847576.db2.gz DWUUHMSBDDWDNG-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205068169 812847582 /nfs/dbraw/zinc/84/75/82/812847582.db2.gz DWUUHMSBDDWDNG-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2ccsc2c1 ZINC001205082284 812852676 /nfs/dbraw/zinc/85/26/76/812852676.db2.gz FHWURKFIMMTMFN-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2ccsc2c1 ZINC001205082284 812852684 /nfs/dbraw/zinc/85/26/84/812852684.db2.gz FHWURKFIMMTMFN-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(C)c1C ZINC001205095921 812863679 /nfs/dbraw/zinc/86/36/79/812863679.db2.gz PSIXNPNNZCWIOR-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C)c1C ZINC001205095921 812863689 /nfs/dbraw/zinc/86/36/89/812863689.db2.gz PSIXNPNNZCWIOR-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205816562 813093297 /nfs/dbraw/zinc/09/32/97/813093297.db2.gz NRPKQLIWHTWJQH-RHSMWYFYSA-N 2 2 285.435 3.220 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205816562 813093307 /nfs/dbraw/zinc/09/33/07/813093307.db2.gz NRPKQLIWHTWJQH-RHSMWYFYSA-N 2 2 285.435 3.220 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829965 813099832 /nfs/dbraw/zinc/09/98/32/813099832.db2.gz QDTXNFPZYLFIFA-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829965 813099841 /nfs/dbraw/zinc/09/98/41/813099841.db2.gz QDTXNFPZYLFIFA-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(F)cc1Cl ZINC001205925822 813137034 /nfs/dbraw/zinc/13/70/34/813137034.db2.gz ZGMKCUWPRLAQPG-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(F)cc1Cl ZINC001205925822 813137038 /nfs/dbraw/zinc/13/70/38/813137038.db2.gz ZGMKCUWPRLAQPG-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP CC1(C)CCc2cc(C[N@@H+]3CCCC[C@H]([NH3+])C3)ccc2O1 ZINC001205932295 813139516 /nfs/dbraw/zinc/13/95/16/813139516.db2.gz QALKSJWJCLBHHU-INIZCTEOSA-N 2 2 288.435 3.103 20 0 CGADLP CC1(C)CCc2cc(C[N@H+]3CCCC[C@H]([NH3+])C3)ccc2O1 ZINC001205932295 813139523 /nfs/dbraw/zinc/13/95/23/813139523.db2.gz QALKSJWJCLBHHU-INIZCTEOSA-N 2 2 288.435 3.103 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205939837 813142087 /nfs/dbraw/zinc/14/20/87/813142087.db2.gz UHUNEXNBHGWKBI-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205939837 813142090 /nfs/dbraw/zinc/14/20/90/813142090.db2.gz UHUNEXNBHGWKBI-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206058689 813186043 /nfs/dbraw/zinc/18/60/43/813186043.db2.gz OMLZKAHLKFTAED-CXAGYDPISA-N 2 2 284.403 3.018 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206058689 813186044 /nfs/dbraw/zinc/18/60/44/813186044.db2.gz OMLZKAHLKFTAED-CXAGYDPISA-N 2 2 284.403 3.018 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2Cl)CC[C@@H]1F ZINC001206153988 813216236 /nfs/dbraw/zinc/21/62/36/813216236.db2.gz FYLDHRUOUKPPGM-LSDHHAIUSA-N 2 2 284.806 3.034 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1F ZINC001206153988 813216241 /nfs/dbraw/zinc/21/62/41/813216241.db2.gz FYLDHRUOUKPPGM-LSDHHAIUSA-N 2 2 284.806 3.034 20 0 CGADLP Cc1c[nH+]c(Nc2c[nH+]c(N(C)C)cc2C)c(C)c1 ZINC001206724074 813408626 /nfs/dbraw/zinc/40/86/26/813408626.db2.gz WLCXYRHMCHLOGS-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP CC/C=C\CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001208134385 813701471 /nfs/dbraw/zinc/70/14/71/813701471.db2.gz JHCNBVLWGOKRIW-FANKGXDISA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001208134385 813701475 /nfs/dbraw/zinc/70/14/75/813701475.db2.gz JHCNBVLWGOKRIW-FANKGXDISA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001208134385 813701480 /nfs/dbraw/zinc/70/14/80/813701480.db2.gz JHCNBVLWGOKRIW-FANKGXDISA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001208134385 813701483 /nfs/dbraw/zinc/70/14/83/813701483.db2.gz JHCNBVLWGOKRIW-FANKGXDISA-N 2 2 299.462 3.192 20 0 CGADLP C[C@@H](C[NH+]1CCC(Oc2cc[nH+]cc2)CC1)C(F)(F)F ZINC001208896548 813885480 /nfs/dbraw/zinc/88/54/80/813885480.db2.gz WQBATPCIGLBLIA-NSHDSACASA-N 2 2 288.313 3.123 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)CCC(=O)c1cccs1 ZINC001209452385 814047296 /nfs/dbraw/zinc/04/72/96/814047296.db2.gz MMSAQAUOXZWNPM-UHFFFAOYSA-N 2 2 294.464 3.129 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)CCC(=O)c1cccs1 ZINC001209452385 814047306 /nfs/dbraw/zinc/04/73/06/814047306.db2.gz MMSAQAUOXZWNPM-UHFFFAOYSA-N 2 2 294.464 3.129 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1c[nH+]ccc1N ZINC001209732735 814124771 /nfs/dbraw/zinc/12/47/71/814124771.db2.gz CMIKYERGCKUKCR-UHFFFAOYSA-N 2 2 296.201 3.433 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1c[nH+]ccc1N ZINC001209732735 814124773 /nfs/dbraw/zinc/12/47/73/814124773.db2.gz CMIKYERGCKUKCR-UHFFFAOYSA-N 2 2 296.201 3.433 20 0 CGADLP c1cn2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001242692200 823101864 /nfs/dbraw/zinc/10/18/64/823101864.db2.gz CBXMUGQRIPOTTB-INIZCTEOSA-N 2 2 267.376 3.366 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210497911 814489510 /nfs/dbraw/zinc/48/95/10/814489510.db2.gz POFJPSBRUSZMIZ-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210497911 814489513 /nfs/dbraw/zinc/48/95/13/814489513.db2.gz POFJPSBRUSZMIZ-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CN(C)c1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001210704621 814588159 /nfs/dbraw/zinc/58/81/59/814588159.db2.gz LDMAXUJXFMPVGS-INIZCTEOSA-N 2 2 286.423 3.092 20 0 CGADLP COc1c[nH+]ccc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001211261023 814865442 /nfs/dbraw/zinc/86/54/42/814865442.db2.gz XGGYOZRSAAAHGO-UHFFFAOYSA-N 2 2 283.375 3.246 20 0 CGADLP CCOc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222293620 816400028 /nfs/dbraw/zinc/40/00/28/816400028.db2.gz ZAUPBQFHQVUOIN-UHFFFAOYSA-N 2 2 288.435 3.193 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222339406 816411996 /nfs/dbraw/zinc/41/19/96/816411996.db2.gz BMIABJGAFINDCD-UHFFFAOYSA-N 2 2 270.420 3.140 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222344846 816413485 /nfs/dbraw/zinc/41/34/85/816413485.db2.gz DTCBEIZANFEABN-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222344846 816413490 /nfs/dbraw/zinc/41/34/90/816413490.db2.gz DTCBEIZANFEABN-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360151 816418976 /nfs/dbraw/zinc/41/89/76/816418976.db2.gz HYDBYTWRCNODSE-DDKKJVIOSA-N 2 2 294.483 3.358 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360151 816418980 /nfs/dbraw/zinc/41/89/80/816418980.db2.gz HYDBYTWRCNODSE-DDKKJVIOSA-N 2 2 294.483 3.358 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390316 816429120 /nfs/dbraw/zinc/42/91/20/816429120.db2.gz NCORCVJWNWTKSJ-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390316 816429124 /nfs/dbraw/zinc/42/91/24/816429124.db2.gz NCORCVJWNWTKSJ-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420570 816440097 /nfs/dbraw/zinc/44/00/97/816440097.db2.gz FDQVTGIBYQZIAR-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420570 816440101 /nfs/dbraw/zinc/44/01/01/816440101.db2.gz FDQVTGIBYQZIAR-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)o1 ZINC001222420869 816440416 /nfs/dbraw/zinc/44/04/16/816440416.db2.gz HTWKQUPIUASKQH-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)o1 ZINC001222420869 816440418 /nfs/dbraw/zinc/44/04/18/816440418.db2.gz HTWKQUPIUASKQH-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427558 816442578 /nfs/dbraw/zinc/44/25/78/816442578.db2.gz SHUFFYVHQNHHMW-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427558 816442582 /nfs/dbraw/zinc/44/25/82/816442582.db2.gz SHUFFYVHQNHHMW-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222471821 816452697 /nfs/dbraw/zinc/45/26/97/816452697.db2.gz YZMDGXVFPWPOIO-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222471821 816452703 /nfs/dbraw/zinc/45/27/03/816452703.db2.gz YZMDGXVFPWPOIO-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc3[nH+]ccn3c2C)cc1 ZINC001242993865 823202169 /nfs/dbraw/zinc/20/21/69/823202169.db2.gz WRVOFQOWHVTRRI-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)ccc1Cl ZINC001226784018 817463407 /nfs/dbraw/zinc/46/34/07/817463407.db2.gz JJOHRVROMJNKQO-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP Fc1ccc(CC[NH+]2CCC3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001226783716 817463532 /nfs/dbraw/zinc/46/35/32/817463532.db2.gz GMVZVTXQWGLHGB-UHFFFAOYSA-N 2 2 296.817 3.240 20 0 CGADLP Cc1cc[nH+]c(C)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227265008 817612091 /nfs/dbraw/zinc/61/20/91/817612091.db2.gz RDISZNBPEPECMA-UHFFFAOYSA-N 2 2 283.375 3.141 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccn1Cc1ccccc1 ZINC001232238889 818289614 /nfs/dbraw/zinc/28/96/14/818289614.db2.gz PDTLUIITAHSWSY-UHFFFAOYSA-N 2 2 299.462 3.310 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccn1Cc1ccccc1 ZINC001232238889 818289618 /nfs/dbraw/zinc/28/96/18/818289618.db2.gz PDTLUIITAHSWSY-UHFFFAOYSA-N 2 2 299.462 3.310 20 0 CGADLP c1ccc2c(c1)ccnc2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001232247955 818291222 /nfs/dbraw/zinc/29/12/22/818291222.db2.gz KQTQFICUOCOXRO-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cnc1C ZINC001233163533 818532093 /nfs/dbraw/zinc/53/20/93/818532093.db2.gz ZAGUQSIMIRKSJE-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cnc1C ZINC001233163533 818532097 /nfs/dbraw/zinc/53/20/97/818532097.db2.gz ZAGUQSIMIRKSJE-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001233250808 818554607 /nfs/dbraw/zinc/55/46/07/818554607.db2.gz ARLLMNDPWSRQDI-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001233250808 818554613 /nfs/dbraw/zinc/55/46/13/818554613.db2.gz ARLLMNDPWSRQDI-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP F[C@H]1CCC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233363412 818597141 /nfs/dbraw/zinc/59/71/41/818597141.db2.gz CLWJUMPCDJLHOY-AWEZNQCLSA-N 2 2 287.382 3.439 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032577 818761606 /nfs/dbraw/zinc/76/16/06/818761606.db2.gz KDJNUSWGDSQVMO-CQSZACIVSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032577 818761614 /nfs/dbraw/zinc/76/16/14/818761614.db2.gz KDJNUSWGDSQVMO-CQSZACIVSA-N 2 2 285.391 3.113 20 0 CGADLP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234067279 818771076 /nfs/dbraw/zinc/77/10/76/818771076.db2.gz QXEYWXFIOZCVOI-OAHLLOKOSA-N 2 2 285.391 3.255 20 0 CGADLP CC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234067279 818771083 /nfs/dbraw/zinc/77/10/83/818771083.db2.gz QXEYWXFIOZCVOI-OAHLLOKOSA-N 2 2 285.391 3.255 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(C)[nH+]1 ZINC001234655388 818906716 /nfs/dbraw/zinc/90/67/16/818906716.db2.gz PWXGYDSBTHKSJZ-OKILXGFUSA-N 2 2 267.376 3.113 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(C)[nH+]1 ZINC001234655388 818906719 /nfs/dbraw/zinc/90/67/19/818906719.db2.gz PWXGYDSBTHKSJZ-OKILXGFUSA-N 2 2 267.376 3.113 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235076269 818995046 /nfs/dbraw/zinc/99/50/46/818995046.db2.gz VENRRQOQLOQLBD-RTBURBONSA-N 2 2 278.399 3.290 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235076269 818995052 /nfs/dbraw/zinc/99/50/52/818995052.db2.gz VENRRQOQLOQLBD-RTBURBONSA-N 2 2 278.399 3.290 20 0 CGADLP Clc1ccc2c(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235108709 819004040 /nfs/dbraw/zinc/00/40/40/819004040.db2.gz CKZTZSCYRSGMCN-INIZCTEOSA-N 2 2 289.810 3.149 20 0 CGADLP Clc1ccc2c(C[N@H+]3CCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235108709 819004045 /nfs/dbraw/zinc/00/40/45/819004045.db2.gz CKZTZSCYRSGMCN-INIZCTEOSA-N 2 2 289.810 3.149 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235117642 819010606 /nfs/dbraw/zinc/01/06/06/819010606.db2.gz QFGCTMBMONVODD-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235117642 819010607 /nfs/dbraw/zinc/01/06/07/819010607.db2.gz QFGCTMBMONVODD-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc2c1CCC2 ZINC001235172916 819025072 /nfs/dbraw/zinc/02/50/72/819025072.db2.gz MXXSNYASPCYPNZ-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc2c1CCC2 ZINC001235172916 819025080 /nfs/dbraw/zinc/02/50/80/819025080.db2.gz MXXSNYASPCYPNZ-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181147 819026159 /nfs/dbraw/zinc/02/61/59/819026159.db2.gz ZAUHTPCBHGKLEY-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235181147 819026167 /nfs/dbraw/zinc/02/61/67/819026167.db2.gz ZAUHTPCBHGKLEY-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c(C)c1C ZINC001235235706 819043510 /nfs/dbraw/zinc/04/35/10/819043510.db2.gz QCNJEIHZECLMEJ-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c(C)c1C ZINC001235235706 819043513 /nfs/dbraw/zinc/04/35/13/819043513.db2.gz QCNJEIHZECLMEJ-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254448 819051291 /nfs/dbraw/zinc/05/12/91/819051291.db2.gz BRRMQOGQRCVLHN-WBVHZDCISA-N 2 2 272.436 3.168 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254448 819051296 /nfs/dbraw/zinc/05/12/96/819051296.db2.gz BRRMQOGQRCVLHN-WBVHZDCISA-N 2 2 272.436 3.168 20 0 CGADLP CCc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)n1 ZINC001235261757 819054896 /nfs/dbraw/zinc/05/48/96/819054896.db2.gz AUXDHXQIZDUTTK-KRWDZBQOSA-N 2 2 297.402 3.001 20 0 CGADLP CCc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)n1 ZINC001235261757 819054900 /nfs/dbraw/zinc/05/49/00/819054900.db2.gz AUXDHXQIZDUTTK-KRWDZBQOSA-N 2 2 297.402 3.001 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347938 819075200 /nfs/dbraw/zinc/07/52/00/819075200.db2.gz UXCDANNDRYLILD-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347938 819075209 /nfs/dbraw/zinc/07/52/09/819075209.db2.gz UXCDANNDRYLILD-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403101 819085480 /nfs/dbraw/zinc/08/54/80/819085480.db2.gz KKSVJWXULCWHOV-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403101 819085483 /nfs/dbraw/zinc/08/54/83/819085483.db2.gz KKSVJWXULCWHOV-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1Cl ZINC001235409256 819087372 /nfs/dbraw/zinc/08/73/72/819087372.db2.gz VUBSFPRBEKYCTD-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1Cl ZINC001235409256 819087376 /nfs/dbraw/zinc/08/73/76/819087376.db2.gz VUBSFPRBEKYCTD-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP c1csc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235692902 819143917 /nfs/dbraw/zinc/14/39/17/819143917.db2.gz WERXQTWSDOCGFU-AWEZNQCLSA-N 2 2 264.438 3.070 20 0 CGADLP Cc1ccccc1O[C@H](CC[N@H+](C)CC[NH3+])c1ccccc1 ZINC001235841327 819183684 /nfs/dbraw/zinc/18/36/84/819183684.db2.gz WCESRPZJCXWQDN-LJQANCHMSA-N 2 2 298.430 3.396 20 0 CGADLP Cc1ccccc1O[C@H](CC[N@@H+](C)CC[NH3+])c1ccccc1 ZINC001235841327 819183688 /nfs/dbraw/zinc/18/36/88/819183688.db2.gz WCESRPZJCXWQDN-LJQANCHMSA-N 2 2 298.430 3.396 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235890762 819199109 /nfs/dbraw/zinc/19/91/09/819199109.db2.gz GFZOFHDCBGDZMA-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235890762 819199112 /nfs/dbraw/zinc/19/91/12/819199112.db2.gz GFZOFHDCBGDZMA-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc(C)c1OC(C)C ZINC001235891275 819200538 /nfs/dbraw/zinc/20/05/38/819200538.db2.gz HQRXHESPZDUKSS-WBVHZDCISA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc(C)c1OC(C)C ZINC001235891275 819200544 /nfs/dbraw/zinc/20/05/44/819200544.db2.gz HQRXHESPZDUKSS-WBVHZDCISA-N 2 2 290.451 3.402 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)ccc2c1 ZINC001235891979 819200623 /nfs/dbraw/zinc/20/06/23/819200623.db2.gz JDELVZZCAORFEX-SUMWQHHRSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)ccc2c1 ZINC001235891979 819200626 /nfs/dbraw/zinc/20/06/26/819200626.db2.gz JDELVZZCAORFEX-SUMWQHHRSA-N 2 2 284.403 3.160 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987513 819260405 /nfs/dbraw/zinc/26/04/05/819260405.db2.gz DTZGNUFNGSESCQ-FXAWDEMLSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987513 819260408 /nfs/dbraw/zinc/26/04/08/819260408.db2.gz DTZGNUFNGSESCQ-FXAWDEMLSA-N 2 2 290.410 3.181 20 0 CGADLP CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236005776 819270907 /nfs/dbraw/zinc/27/09/07/819270907.db2.gz DNMNMXKRPZOPJB-MRXNPFEDSA-N 2 2 290.451 3.194 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236005776 819270909 /nfs/dbraw/zinc/27/09/09/819270909.db2.gz DNMNMXKRPZOPJB-MRXNPFEDSA-N 2 2 290.451 3.194 20 0 CGADLP Cc1c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001236032066 819277889 /nfs/dbraw/zinc/27/78/89/819277889.db2.gz YTGYLRVGZRAEIZ-IEBWSBKVSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001236032066 819277893 /nfs/dbraw/zinc/27/78/93/819277893.db2.gz YTGYLRVGZRAEIZ-IEBWSBKVSA-N 2 2 278.399 3.195 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1C(C)C ZINC001236048377 819286428 /nfs/dbraw/zinc/28/64/28/819286428.db2.gz OFFWBTKPVQOPIG-BBRMVZONSA-N 2 2 290.451 3.296 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1C(C)C ZINC001236048377 819286426 /nfs/dbraw/zinc/28/64/26/819286426.db2.gz OFFWBTKPVQOPIG-BBRMVZONSA-N 2 2 290.451 3.296 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050315 819287271 /nfs/dbraw/zinc/28/72/71/819287271.db2.gz HQIJUDBOXIPUFO-GUYCJALGSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050315 819287274 /nfs/dbraw/zinc/28/72/74/819287274.db2.gz HQIJUDBOXIPUFO-GUYCJALGSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236052548 819289234 /nfs/dbraw/zinc/28/92/34/819289234.db2.gz SLZANUYARLKTNX-CRAIPNDOSA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236052548 819289241 /nfs/dbraw/zinc/28/92/41/819289241.db2.gz SLZANUYARLKTNX-CRAIPNDOSA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052551 819289548 /nfs/dbraw/zinc/28/95/48/819289548.db2.gz SLZANUYARLKTNX-YJBOKZPZSA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052551 819289551 /nfs/dbraw/zinc/28/95/51/819289551.db2.gz SLZANUYARLKTNX-YJBOKZPZSA-N 2 2 295.430 3.226 20 0 CGADLP CC1(C)C[N@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001236085523 819308431 /nfs/dbraw/zinc/30/84/31/819308431.db2.gz QEYDFDPXDSBJQG-GOSISDBHSA-N 2 2 294.442 3.350 20 0 CGADLP CC1(C)C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001236085523 819308439 /nfs/dbraw/zinc/30/84/39/819308439.db2.gz QEYDFDPXDSBJQG-GOSISDBHSA-N 2 2 294.442 3.350 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(C)cc2)c1 ZINC001236143242 819343332 /nfs/dbraw/zinc/34/33/32/819343332.db2.gz GTNMWMIJFOZOKR-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(C)cc2)c1 ZINC001236143242 819343335 /nfs/dbraw/zinc/34/33/35/819343335.db2.gz GTNMWMIJFOZOKR-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC(C)(C[N@@H+]1CC[C@@H]([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001236169094 819354950 /nfs/dbraw/zinc/35/49/50/819354950.db2.gz YMRPXQCFFSENDU-GFCCVEGCSA-N 2 2 284.856 3.244 20 0 CGADLP CC(C)(C[N@H+]1CC[C@@H]([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001236169094 819354954 /nfs/dbraw/zinc/35/49/54/819354954.db2.gz YMRPXQCFFSENDU-GFCCVEGCSA-N 2 2 284.856 3.244 20 0 CGADLP CCCOc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202400 819365631 /nfs/dbraw/zinc/36/56/31/819365631.db2.gz REMMCWUSFOQHCY-KRWDZBQOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202400 819365636 /nfs/dbraw/zinc/36/56/36/819365636.db2.gz REMMCWUSFOQHCY-KRWDZBQOSA-N 2 2 276.424 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC001236204422 819367109 /nfs/dbraw/zinc/36/71/09/819367109.db2.gz ACAYYGJGYVJEGR-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC001236204422 819367113 /nfs/dbraw/zinc/36/71/13/819367113.db2.gz ACAYYGJGYVJEGR-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CCCc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236206337 819369207 /nfs/dbraw/zinc/36/92/07/819369207.db2.gz JORUWXNVXPTDIK-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236206337 819369211 /nfs/dbraw/zinc/36/92/11/819369211.db2.gz JORUWXNVXPTDIK-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236245681 819402491 /nfs/dbraw/zinc/40/24/91/819402491.db2.gz QJRWMTPYOZBBAX-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236245681 819402497 /nfs/dbraw/zinc/40/24/97/819402497.db2.gz QJRWMTPYOZBBAX-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP COCC[N@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236327734 819426596 /nfs/dbraw/zinc/42/65/96/819426596.db2.gz LHNYSKUXTREUGI-GOSISDBHSA-N 2 2 298.430 3.040 20 0 CGADLP COCC[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236327734 819426601 /nfs/dbraw/zinc/42/66/01/819426601.db2.gz LHNYSKUXTREUGI-GOSISDBHSA-N 2 2 298.430 3.040 20 0 CGADLP CCC[N@H+](Cc1cc(OC(C)C)ccc1C)[C@H]1CC[NH2+]C1 ZINC001236329691 819427836 /nfs/dbraw/zinc/42/78/36/819427836.db2.gz SMMCBALVJMCHMK-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CCC[N@@H+](Cc1cc(OC(C)C)ccc1C)[C@H]1CC[NH2+]C1 ZINC001236329691 819427844 /nfs/dbraw/zinc/42/78/44/819427844.db2.gz SMMCBALVJMCHMK-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236409334 819456288 /nfs/dbraw/zinc/45/62/88/819456288.db2.gz SQTKOORABDQFLZ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1cc(Cl)c(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236409334 819456290 /nfs/dbraw/zinc/45/62/90/819456290.db2.gz SQTKOORABDQFLZ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236412831 819458783 /nfs/dbraw/zinc/45/87/83/819458783.db2.gz YTESLCKJIPCUPW-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236412831 819458785 /nfs/dbraw/zinc/45/87/85/819458785.db2.gz YTESLCKJIPCUPW-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)cc2)o1 ZINC001236434262 819477060 /nfs/dbraw/zinc/47/70/60/819477060.db2.gz LFOGKSQFPMEANX-QGZVFWFLSA-N 2 2 288.366 3.128 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)cc2)o1 ZINC001236434262 819477061 /nfs/dbraw/zinc/47/70/61/819477061.db2.gz LFOGKSQFPMEANX-QGZVFWFLSA-N 2 2 288.366 3.128 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236467795 819488441 /nfs/dbraw/zinc/48/84/41/819488441.db2.gz JOALTQQAGGDGBF-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236467795 819488444 /nfs/dbraw/zinc/48/84/44/819488444.db2.gz JOALTQQAGGDGBF-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP COc1cccc(C)c1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236475449 819494220 /nfs/dbraw/zinc/49/42/20/819494220.db2.gz QQNNDEULICZFAH-MRXNPFEDSA-N 2 2 290.451 3.214 20 0 CGADLP COc1cccc(C)c1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236475449 819494224 /nfs/dbraw/zinc/49/42/24/819494224.db2.gz QQNNDEULICZFAH-MRXNPFEDSA-N 2 2 290.451 3.214 20 0 CGADLP Cc1c(F)ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1F ZINC001236602605 819549888 /nfs/dbraw/zinc/54/98/88/819549888.db2.gz YISMMXFTQQNMLU-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1c(F)ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1F ZINC001236602605 819549892 /nfs/dbraw/zinc/54/98/92/819549892.db2.gz YISMMXFTQQNMLU-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(C[NH+]2CCCC2)c(F)c1 ZINC001243477940 823415730 /nfs/dbraw/zinc/41/57/30/823415730.db2.gz TUUALZIBGYOSDD-UHFFFAOYSA-N 2 2 271.339 3.066 20 0 CGADLP CC[N@H+](Cc1cccc2occc21)C1CC[NH+](C)CC1 ZINC001236742442 819589672 /nfs/dbraw/zinc/58/96/72/819589672.db2.gz DHZJBCAJCUJPFL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](Cc1cccc2occc21)C1CC[NH+](C)CC1 ZINC001236742442 819589677 /nfs/dbraw/zinc/58/96/77/819589677.db2.gz DHZJBCAJCUJPFL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236744510 819589968 /nfs/dbraw/zinc/58/99/68/819589968.db2.gz BEEAZAFTYFKFJP-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236744510 819589973 /nfs/dbraw/zinc/58/99/73/819589973.db2.gz BEEAZAFTYFKFJP-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC001236830349 819612003 /nfs/dbraw/zinc/61/20/03/819612003.db2.gz NHPWOFSHJDOREP-DRZSPHRISA-N 2 2 299.245 3.471 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC001236830349 819612008 /nfs/dbraw/zinc/61/20/08/819612008.db2.gz NHPWOFSHJDOREP-DRZSPHRISA-N 2 2 299.245 3.471 20 0 CGADLP CCCCOc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236869146 819627527 /nfs/dbraw/zinc/62/75/27/819627527.db2.gz UNHFDOKWBAEAEM-HNNXBMFYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236869146 819627529 /nfs/dbraw/zinc/62/75/29/819627529.db2.gz UNHFDOKWBAEAEM-HNNXBMFYSA-N 2 2 264.413 3.035 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236895151 819633356 /nfs/dbraw/zinc/63/33/56/819633356.db2.gz MLZDQCJHXLCDIR-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236895151 819633361 /nfs/dbraw/zinc/63/33/61/819633361.db2.gz MLZDQCJHXLCDIR-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP Clc1cc(C[NH+]2CCCC2)ccc1-n1cc[nH+]c1 ZINC001236905225 819635232 /nfs/dbraw/zinc/63/52/32/819635232.db2.gz YGLDHYHPCZRMSL-UHFFFAOYSA-N 2 2 261.756 3.122 20 0 CGADLP COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144559 819678668 /nfs/dbraw/zinc/67/86/68/819678668.db2.gz JQNYPXSVDDOWIL-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001237144559 819678669 /nfs/dbraw/zinc/67/86/69/819678669.db2.gz JQNYPXSVDDOWIL-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204752 819697616 /nfs/dbraw/zinc/69/76/16/819697616.db2.gz NYHDUBABXUATPQ-CABCVRRESA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204752 819697619 /nfs/dbraw/zinc/69/76/19/819697619.db2.gz NYHDUBABXUATPQ-CABCVRRESA-N 2 2 276.424 3.012 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1CCc1ccccc1 ZINC001237203142 819698317 /nfs/dbraw/zinc/69/83/17/819698317.db2.gz AGOCSIWWLPKEOK-UZLBHIALSA-N 2 2 294.442 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1CCc1ccccc1 ZINC001237203142 819698320 /nfs/dbraw/zinc/69/83/20/819698320.db2.gz AGOCSIWWLPKEOK-UZLBHIALSA-N 2 2 294.442 3.393 20 0 CGADLP CC[N@H+](Cc1cnc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001237373346 819736791 /nfs/dbraw/zinc/73/67/91/819736791.db2.gz LCSLCKZCRXDIDH-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001237373346 819736796 /nfs/dbraw/zinc/73/67/96/819736796.db2.gz LCSLCKZCRXDIDH-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC(C)[N@H+](Cc1cnc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001237406067 819744852 /nfs/dbraw/zinc/74/48/52/819744852.db2.gz HOQUQMLTXSMOHO-UHFFFAOYSA-N 2 2 299.821 3.179 20 0 CGADLP CC(C)[N@@H+](Cc1cnc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001237406067 819744856 /nfs/dbraw/zinc/74/48/56/819744856.db2.gz HOQUQMLTXSMOHO-UHFFFAOYSA-N 2 2 299.821 3.179 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001237406988 819745286 /nfs/dbraw/zinc/74/52/86/819745286.db2.gz WHCOEASRLDHDRD-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001237406988 819745289 /nfs/dbraw/zinc/74/52/89/819745289.db2.gz WHCOEASRLDHDRD-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP CC(C)c1cccc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001237460530 819755639 /nfs/dbraw/zinc/75/56/39/819755639.db2.gz SUMYVITUQNFZDY-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C)c1Cl ZINC001238095557 819931960 /nfs/dbraw/zinc/93/19/60/819931960.db2.gz IXTDTYWHJVQKBD-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1Cl ZINC001238095557 819931963 /nfs/dbraw/zinc/93/19/63/819931963.db2.gz IXTDTYWHJVQKBD-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C)c1Cl ZINC001238095557 819931968 /nfs/dbraw/zinc/93/19/68/819931968.db2.gz IXTDTYWHJVQKBD-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C)c1Cl ZINC001238095557 819931973 /nfs/dbraw/zinc/93/19/73/819931973.db2.gz IXTDTYWHJVQKBD-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP c1coc(C[N@H+](Cc2cccc3c[nH+]cn32)C2CC2)c1 ZINC001238110395 819935731 /nfs/dbraw/zinc/93/57/31/819935731.db2.gz NSNZRZAZWMTDPK-UHFFFAOYSA-N 2 2 267.332 3.092 20 0 CGADLP c1coc(C[N@@H+](Cc2cccc3c[nH+]cn32)C2CC2)c1 ZINC001238110395 819935735 /nfs/dbraw/zinc/93/57/35/819935735.db2.gz NSNZRZAZWMTDPK-UHFFFAOYSA-N 2 2 267.332 3.092 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@H]2C1 ZINC001238567444 820046335 /nfs/dbraw/zinc/04/63/35/820046335.db2.gz TXTQJADVEXHRNL-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567943 820047495 /nfs/dbraw/zinc/04/74/95/820047495.db2.gz WFPGSMAWQWJOSF-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001238699079 820089079 /nfs/dbraw/zinc/08/90/79/820089079.db2.gz UPJOTIWSDOKHHG-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001238699079 820089089 /nfs/dbraw/zinc/08/90/89/820089089.db2.gz UPJOTIWSDOKHHG-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1ccc(C)c(C[NH+]2CCC([N@H+](C)CC)CC2)c1 ZINC001238710406 820092452 /nfs/dbraw/zinc/09/24/52/820092452.db2.gz CPJVGGXIBNANOS-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C)c(C[NH+]2CCC([N@@H+](C)CC)CC2)c1 ZINC001238710406 820092459 /nfs/dbraw/zinc/09/24/59/820092459.db2.gz CPJVGGXIBNANOS-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1C ZINC001238996840 820187731 /nfs/dbraw/zinc/18/77/31/820187731.db2.gz XICWRPFKZFSBCT-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1C ZINC001238996840 820187737 /nfs/dbraw/zinc/18/77/37/820187737.db2.gz XICWRPFKZFSBCT-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)n1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239078549 820214917 /nfs/dbraw/zinc/21/49/17/820214917.db2.gz RJZITODEQAAFBZ-QGZVFWFLSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239078549 820214924 /nfs/dbraw/zinc/21/49/24/820214924.db2.gz RJZITODEQAAFBZ-QGZVFWFLSA-N 2 2 283.419 3.269 20 0 CGADLP c1cn(Cc2ccc(-c3ccc4c[nH+]cn4c3)cc2)c[nH+]1 ZINC001243659158 823477566 /nfs/dbraw/zinc/47/75/66/823477566.db2.gz NILNJAMVWNSWMR-UHFFFAOYSA-N 2 2 274.327 3.246 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3F)c2)C1 ZINC001239556204 820407461 /nfs/dbraw/zinc/40/74/61/820407461.db2.gz QVQYCYGFKWFKTJ-HNNXBMFYSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3F)c2)C1 ZINC001239556204 820407463 /nfs/dbraw/zinc/40/74/63/820407463.db2.gz QVQYCYGFKWFKTJ-HNNXBMFYSA-N 2 2 270.351 3.026 20 0 CGADLP Cc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239741693 820564823 /nfs/dbraw/zinc/56/48/23/820564823.db2.gz KTBWAAUDBPVPJZ-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239741693 820564826 /nfs/dbraw/zinc/56/48/26/820564826.db2.gz KTBWAAUDBPVPJZ-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239966342 820745212 /nfs/dbraw/zinc/74/52/12/820745212.db2.gz YHQZLXJVJZANBZ-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239966342 820745216 /nfs/dbraw/zinc/74/52/16/820745216.db2.gz YHQZLXJVJZANBZ-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001240370514 820998657 /nfs/dbraw/zinc/99/86/57/820998657.db2.gz OYHVPGOFVDFRQU-UHFFFAOYSA-N 2 2 255.365 3.219 20 0 CGADLP CC(C)([NH3+])c1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240513661 821109576 /nfs/dbraw/zinc/10/95/76/821109576.db2.gz YPPDNOYLRSAXPG-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP COc1ccc(-c2ccn3cc[nH+]c3c2)c(C[NH+](C)C)c1 ZINC001240518997 821116338 /nfs/dbraw/zinc/11/63/38/821116338.db2.gz WLTFGYYKQNFYDH-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP Cc1c(F)cccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240732464 821286043 /nfs/dbraw/zinc/28/60/43/821286043.db2.gz LZNUJMWHLCYMKZ-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240732464 821286050 /nfs/dbraw/zinc/28/60/50/821286050.db2.gz LZNUJMWHLCYMKZ-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241580580 821966504 /nfs/dbraw/zinc/96/65/04/821966504.db2.gz HABKICVGEZMWJM-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP Cc1cc(-c2ccc(OC3CC[NH2+]CC3)cc2)cc(C)[nH+]1 ZINC001241992806 822261821 /nfs/dbraw/zinc/26/18/21/822261821.db2.gz RVOSMVVTPSYKOY-UHFFFAOYSA-N 2 2 282.387 3.496 20 0 CGADLP Nc1cn2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2[nH+]1 ZINC001242118229 822883872 /nfs/dbraw/zinc/88/38/72/822883872.db2.gz HBPFIVRBMWIDRT-UHFFFAOYSA-N 2 2 292.386 3.179 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC001275427091 928521754 /nfs/dbraw/zinc/52/17/54/928521754.db2.gz IKDIWXAQBZEYOH-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC001275427091 928521755 /nfs/dbraw/zinc/52/17/55/928521755.db2.gz IKDIWXAQBZEYOH-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC001275427091 928521758 /nfs/dbraw/zinc/52/17/58/928521758.db2.gz IKDIWXAQBZEYOH-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC001275427091 928521760 /nfs/dbraw/zinc/52/17/60/928521760.db2.gz IKDIWXAQBZEYOH-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP CCc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001458058787 937449807 /nfs/dbraw/zinc/44/98/07/937449807.db2.gz AYLWNHFPAWOHHR-INIZCTEOSA-N 2 2 298.434 3.316 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC001459632482 937494953 /nfs/dbraw/zinc/49/49/53/937494953.db2.gz QVNAWODJIUOSEC-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC001459632482 937494956 /nfs/dbraw/zinc/49/49/56/937494956.db2.gz QVNAWODJIUOSEC-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC2(CCC2)C1 ZINC001459632482 937494958 /nfs/dbraw/zinc/49/49/58/937494958.db2.gz QVNAWODJIUOSEC-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC001459632482 937494960 /nfs/dbraw/zinc/49/49/60/937494960.db2.gz QVNAWODJIUOSEC-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CC[N@H+](C)Cc3ccccc3)c2C[C@H]1C ZINC001460152470 937518012 /nfs/dbraw/zinc/51/80/12/937518012.db2.gz UHFRVGLPRSLWRY-HZPDHXFCSA-N 2 2 297.446 3.386 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CC[N@@H+](C)Cc3ccccc3)c2C[C@H]1C ZINC001460152470 937518014 /nfs/dbraw/zinc/51/80/14/937518014.db2.gz UHFRVGLPRSLWRY-HZPDHXFCSA-N 2 2 297.446 3.386 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC2(CCC2)CC1 ZINC001461181540 937567975 /nfs/dbraw/zinc/56/79/75/937567975.db2.gz ZFPXNELVDMSOEQ-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC2(CCC2)CC1 ZINC001461181540 937567977 /nfs/dbraw/zinc/56/79/77/937567977.db2.gz ZFPXNELVDMSOEQ-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP C([NH2+]C1CCC2(CSC2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001462186726 937623728 /nfs/dbraw/zinc/62/37/28/937623728.db2.gz BLUIOCBGCVEHMA-INIZCTEOSA-N 2 2 294.508 3.269 20 0 CGADLP C([NH2+]C1CCC2(CSC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC001462186726 937623730 /nfs/dbraw/zinc/62/37/30/937623730.db2.gz BLUIOCBGCVEHMA-INIZCTEOSA-N 2 2 294.508 3.269 20 0 CGADLP c1cc(C[NH+]2CCC([NH+]3CC4CCC(CC4)C3)CC2)ccn1 ZINC001256594357 932728712 /nfs/dbraw/zinc/72/87/12/932728712.db2.gz TXRYUJRKQDTPPU-UHFFFAOYSA-N 2 2 299.462 3.168 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001462152706 937621239 /nfs/dbraw/zinc/62/12/39/937621239.db2.gz AVABPKDDUQXLDE-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001462152706 937621240 /nfs/dbraw/zinc/62/12/40/937621240.db2.gz AVABPKDDUQXLDE-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001462427157 937640487 /nfs/dbraw/zinc/64/04/87/937640487.db2.gz NTYDSPYZHWWHFP-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001462427157 937640489 /nfs/dbraw/zinc/64/04/89/937640489.db2.gz NTYDSPYZHWWHFP-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001462444894 937641965 /nfs/dbraw/zinc/64/19/65/937641965.db2.gz QIODOCTUKODSGQ-SQWLQELKSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001462444894 937641966 /nfs/dbraw/zinc/64/19/66/937641966.db2.gz QIODOCTUKODSGQ-SQWLQELKSA-N 2 2 252.446 3.418 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC001308080620 933046445 /nfs/dbraw/zinc/04/64/45/933046445.db2.gz MLLNSRWBWNGJSM-ZDUSSCGKSA-N 2 2 282.378 3.274 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC001308080620 933046448 /nfs/dbraw/zinc/04/64/48/933046448.db2.gz MLLNSRWBWNGJSM-ZDUSSCGKSA-N 2 2 282.378 3.274 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)C1 ZINC001308764036 933172343 /nfs/dbraw/zinc/17/23/43/933172343.db2.gz DLCQBMHDYKRGHP-BRWVUGGUSA-N 2 2 288.435 3.015 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)C1 ZINC001308764036 933172348 /nfs/dbraw/zinc/17/23/48/933172348.db2.gz DLCQBMHDYKRGHP-BRWVUGGUSA-N 2 2 288.435 3.015 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC001308975484 933219055 /nfs/dbraw/zinc/21/90/55/933219055.db2.gz UUFPNUUNIAZIJB-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC001308975484 933219063 /nfs/dbraw/zinc/21/90/63/933219063.db2.gz UUFPNUUNIAZIJB-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001319378865 933866293 /nfs/dbraw/zinc/86/62/93/933866293.db2.gz CMPMJDVUWGUFTD-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001319378865 933866304 /nfs/dbraw/zinc/86/63/04/933866304.db2.gz CMPMJDVUWGUFTD-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC001326158335 934954774 /nfs/dbraw/zinc/95/47/74/934954774.db2.gz ATYPCISRBNPRJY-OCCSQVGLSA-N 2 2 298.390 3.341 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689356 937817539 /nfs/dbraw/zinc/81/75/39/937817539.db2.gz GFLODCRTAMHZKB-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689356 937817541 /nfs/dbraw/zinc/81/75/41/937817541.db2.gz GFLODCRTAMHZKB-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001473689356 937817543 /nfs/dbraw/zinc/81/75/43/937817543.db2.gz GFLODCRTAMHZKB-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001473689356 937817545 /nfs/dbraw/zinc/81/75/45/937817545.db2.gz GFLODCRTAMHZKB-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(F)cccc1Cl ZINC001328399014 935134152 /nfs/dbraw/zinc/13/41/52/935134152.db2.gz PMYNTOTXVTWKPG-GHMZBOCLSA-N 2 2 270.779 3.129 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001331419317 935378233 /nfs/dbraw/zinc/37/82/33/935378233.db2.gz QFXHRZBCFJFQFL-UHFFFAOYSA-N 2 2 283.847 3.013 20 0 CGADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]2C1 ZINC001333825028 936068866 /nfs/dbraw/zinc/06/88/66/936068866.db2.gz DEPZKJGNBROPNC-IXDOHACOSA-N 2 2 295.430 3.401 20 0 CGADLP Clc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001473913065 937829543 /nfs/dbraw/zinc/82/95/43/937829543.db2.gz GWDBODOHQSFDBO-UHFFFAOYSA-N 2 2 298.777 3.211 20 0 CGADLP Cc1cc(F)ncc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001473958536 937832209 /nfs/dbraw/zinc/83/22/09/937832209.db2.gz FOMOQDXKEFJQEO-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]C2CCC3(CCC3)CC2)CCSC1 ZINC001474034324 937836936 /nfs/dbraw/zinc/83/69/36/937836936.db2.gz RPTJOHXNJTVVSB-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317520 937851146 /nfs/dbraw/zinc/85/11/46/937851146.db2.gz LWLIEYPZJLBYEO-QWHCGFSZSA-N 2 2 285.382 3.188 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317520 937851148 /nfs/dbraw/zinc/85/11/48/937851148.db2.gz LWLIEYPZJLBYEO-QWHCGFSZSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317520 937851150 /nfs/dbraw/zinc/85/11/50/937851150.db2.gz LWLIEYPZJLBYEO-QWHCGFSZSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317520 937851152 /nfs/dbraw/zinc/85/11/52/937851152.db2.gz LWLIEYPZJLBYEO-QWHCGFSZSA-N 2 2 285.382 3.188 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC001474575088 937868235 /nfs/dbraw/zinc/86/82/35/937868235.db2.gz AEKGJMGUVXIIIK-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC001474575088 937868236 /nfs/dbraw/zinc/86/82/36/937868236.db2.gz AEKGJMGUVXIIIK-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001474623317 937871162 /nfs/dbraw/zinc/87/11/62/937871162.db2.gz NKXLUFKPRHUIDL-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001474623317 937871164 /nfs/dbraw/zinc/87/11/64/937871164.db2.gz NKXLUFKPRHUIDL-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP C[NH+]1CCC(CNc2[nH+]c3ccccc3n2C2CC2)CC1 ZINC001474764202 937879536 /nfs/dbraw/zinc/87/95/36/937879536.db2.gz UPGNZTJXAQLHLS-UHFFFAOYSA-N 2 2 284.407 3.125 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001549176083 938155698 /nfs/dbraw/zinc/15/56/98/938155698.db2.gz TUQFGQGINZDBLG-BARDWOONSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001549176083 938155699 /nfs/dbraw/zinc/15/56/99/938155699.db2.gz TUQFGQGINZDBLG-BARDWOONSA-N 2 2 286.410 3.417 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC001550514914 938166903 /nfs/dbraw/zinc/16/69/03/938166903.db2.gz ANVPCNYQWXSRHC-KGLIPLIRSA-N 2 2 284.394 3.171 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC001550514914 938166904 /nfs/dbraw/zinc/16/69/04/938166904.db2.gz ANVPCNYQWXSRHC-KGLIPLIRSA-N 2 2 284.394 3.171 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551378223 938180692 /nfs/dbraw/zinc/18/06/92/938180692.db2.gz NSODDVRHVITMLS-AGRHKRQWSA-N 2 2 296.414 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551378224 938180773 /nfs/dbraw/zinc/18/07/73/938180773.db2.gz NSODDVRHVITMLS-BKTGTZMESA-N 2 2 296.414 3.361 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC001560233114 938248089 /nfs/dbraw/zinc/24/80/89/938248089.db2.gz RRDFPTBWXWWSDI-UHFFFAOYSA-N 2 2 283.419 3.232 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001560246377 938248997 /nfs/dbraw/zinc/24/89/97/938248997.db2.gz YVEPLICJPQUZIZ-GOSISDBHSA-N 2 2 272.436 3.008 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001560246377 938248998 /nfs/dbraw/zinc/24/89/98/938248998.db2.gz YVEPLICJPQUZIZ-GOSISDBHSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001560428152 938258106 /nfs/dbraw/zinc/25/81/06/938258106.db2.gz DLZLZUUFXMGFJS-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC001560434432 938258246 /nfs/dbraw/zinc/25/82/46/938258246.db2.gz WPLPRDHSLACARF-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC001560531677 938261751 /nfs/dbraw/zinc/26/17/51/938261751.db2.gz JMXPKHNHRSZLEE-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001560615700 938265671 /nfs/dbraw/zinc/26/56/71/938265671.db2.gz XZEHTWDXVAIMKB-UHFFFAOYSA-N 2 2 296.499 3.295 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001560615700 938265672 /nfs/dbraw/zinc/26/56/72/938265672.db2.gz XZEHTWDXVAIMKB-UHFFFAOYSA-N 2 2 296.499 3.295 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944383 938285692 /nfs/dbraw/zinc/28/56/92/938285692.db2.gz DRNIYSVVVIDDIF-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944383 938285693 /nfs/dbraw/zinc/28/56/93/938285693.db2.gz DRNIYSVVVIDDIF-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP CC(C)C[C@](C)(C[NH3+])[NH2+]Cc1cccc(OC2CC2)c1F ZINC001575531574 962392369 /nfs/dbraw/zinc/39/23/69/962392369.db2.gz SGEBAJUQKDKQFB-QGZVFWFLSA-N 2 2 294.414 3.220 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC001575615298 962403904 /nfs/dbraw/zinc/40/39/04/962403904.db2.gz RCGKJPKTKVMTNY-IIDMSEBBSA-N 2 2 290.451 3.198 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001575864188 962415556 /nfs/dbraw/zinc/41/55/56/962415556.db2.gz TVEBWERQSBTXOM-MRXNPFEDSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H](c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1)C(F)(F)F ZINC001576149082 962434104 /nfs/dbraw/zinc/43/41/04/962434104.db2.gz BMMRGOXMJABRGQ-WDEREUQCSA-N 2 2 274.330 3.131 20 0 CGADLP C[C@H](c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1)C(F)(F)F ZINC001576149082 962434115 /nfs/dbraw/zinc/43/41/15/962434115.db2.gz BMMRGOXMJABRGQ-WDEREUQCSA-N 2 2 274.330 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C[NH2+]1 ZINC001576671158 962482502 /nfs/dbraw/zinc/48/25/02/962482502.db2.gz SVUBMZXVJQXJPA-BXUZGUMPSA-N 2 2 268.351 3.028 20 0 CGADLP Clc1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC001579938212 962681371 /nfs/dbraw/zinc/68/13/71/962681371.db2.gz CPDCKZXWAXFXPF-HNNXBMFYSA-N 2 2 278.827 3.103 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001580183704 962693469 /nfs/dbraw/zinc/69/34/69/962693469.db2.gz OPGNWWKBROMLRG-ZDUSSCGKSA-N 2 2 282.378 3.101 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC001580183704 962693479 /nfs/dbraw/zinc/69/34/79/962693479.db2.gz OPGNWWKBROMLRG-ZDUSSCGKSA-N 2 2 282.378 3.101 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337384631 214043936 /nfs/dbraw/zinc/04/39/36/214043936.db2.gz GPXHWUGUFJPTSR-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000337384631 214043937 /nfs/dbraw/zinc/04/39/37/214043937.db2.gz GPXHWUGUFJPTSR-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000337406720 214060806 /nfs/dbraw/zinc/06/08/06/214060806.db2.gz LYHODWGUVSAATD-MRXNPFEDSA-N 2 2 275.371 3.399 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425528 214073253 /nfs/dbraw/zinc/07/32/53/214073253.db2.gz SFKKAIMOEYZJKX-IJEWVQPXSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425528 214073256 /nfs/dbraw/zinc/07/32/56/214073256.db2.gz SFKKAIMOEYZJKX-IJEWVQPXSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531288 187142211 /nfs/dbraw/zinc/14/22/11/187142211.db2.gz FAQSTOUXKAIFNR-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531288 187142212 /nfs/dbraw/zinc/14/22/12/187142212.db2.gz FAQSTOUXKAIFNR-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000621340916 349501555 /nfs/dbraw/zinc/50/15/55/349501555.db2.gz WCNOATUOLUBPFL-MLGOLLRUSA-N 2 2 278.465 3.273 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000621340916 349501556 /nfs/dbraw/zinc/50/15/56/349501556.db2.gz WCNOATUOLUBPFL-MLGOLLRUSA-N 2 2 278.465 3.273 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621377768 349512804 /nfs/dbraw/zinc/51/28/04/349512804.db2.gz FVCBBNIAMCFJFZ-VNQPRFMTSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621377768 349512808 /nfs/dbraw/zinc/51/28/08/349512808.db2.gz FVCBBNIAMCFJFZ-VNQPRFMTSA-N 2 2 294.389 3.142 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000337510131 214130462 /nfs/dbraw/zinc/13/04/62/214130462.db2.gz IIUFBXMIHFXFHP-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000337510131 214130463 /nfs/dbraw/zinc/13/04/63/214130463.db2.gz IIUFBXMIHFXFHP-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000337530866 214141695 /nfs/dbraw/zinc/14/16/95/214141695.db2.gz CXFFVKBTWKMXIC-GZBFAFLISA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000337530866 214141698 /nfs/dbraw/zinc/14/16/98/214141698.db2.gz CXFFVKBTWKMXIC-GZBFAFLISA-N 2 2 278.465 3.399 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781975 349584940 /nfs/dbraw/zinc/58/49/40/349584940.db2.gz KRVYTIGOVJEUAI-LALPHHSUSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781975 349584942 /nfs/dbraw/zinc/58/49/42/349584942.db2.gz KRVYTIGOVJEUAI-LALPHHSUSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651708632 398272384 /nfs/dbraw/zinc/27/23/84/398272384.db2.gz XFWWHHDOFIHSES-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651708632 398272386 /nfs/dbraw/zinc/27/23/86/398272386.db2.gz XFWWHHDOFIHSES-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP CCSc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622004176 349620851 /nfs/dbraw/zinc/62/08/51/349620851.db2.gz LPGXLWHYOKUJES-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622004176 349620858 /nfs/dbraw/zinc/62/08/58/349620858.db2.gz LPGXLWHYOKUJES-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2CC(C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000622044897 349623135 /nfs/dbraw/zinc/62/31/35/349623135.db2.gz WVBXWUIWDUXPMY-VKYMVXLJSA-N 2 2 288.435 3.124 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651910884 398305259 /nfs/dbraw/zinc/30/52/59/398305259.db2.gz PSBBFKACWYPVSM-IDCJVQTKSA-N 2 2 270.420 3.066 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651910884 398305263 /nfs/dbraw/zinc/30/52/63/398305263.db2.gz PSBBFKACWYPVSM-IDCJVQTKSA-N 2 2 270.420 3.066 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423461079 529453159 /nfs/dbraw/zinc/45/31/59/529453159.db2.gz JHPZANIHMVJXNP-OCCSQVGLSA-N 2 2 258.365 3.335 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423463983 529453321 /nfs/dbraw/zinc/45/33/21/529453321.db2.gz LQDFCBJJIMPUAZ-CABZTGNLSA-N 2 2 266.772 3.474 20 0 CGADLP Clc1ccccc1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081906 346900082 /nfs/dbraw/zinc/90/00/82/346900082.db2.gz BITMHIHXCZAELL-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccccc1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081906 346900083 /nfs/dbraw/zinc/90/00/83/346900083.db2.gz BITMHIHXCZAELL-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423442410 529568062 /nfs/dbraw/zinc/56/80/62/529568062.db2.gz BSNKERQSPYYGAQ-WDEREUQCSA-N 2 2 293.411 3.337 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1OC ZINC000423236985 529611604 /nfs/dbraw/zinc/61/16/04/529611604.db2.gz HSNNJNJOWVRHDO-SJORKVTESA-N 2 2 284.403 3.436 20 0 CGADLP Cc1ccccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088384 349757661 /nfs/dbraw/zinc/75/76/61/349757661.db2.gz JRYAFFPUZYFWAX-UHFFFAOYSA-N 2 2 282.378 3.062 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@@H](C)C1 ZINC000623089755 349758526 /nfs/dbraw/zinc/75/85/26/349758526.db2.gz WZEUNDCSWGGESM-NHAGDIPZSA-N 2 2 288.426 3.378 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)F ZINC000449366226 529623223 /nfs/dbraw/zinc/62/32/23/529623223.db2.gz YBYGZJKUYLMWJK-NSHDSACASA-N 2 2 271.336 3.067 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC1=CCCOC1)c1ccccc1 ZINC000126192015 187222834 /nfs/dbraw/zinc/22/28/34/187222834.db2.gz NICPGHVUXXQTOW-GOSISDBHSA-N 2 2 288.435 3.006 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423445019 529616946 /nfs/dbraw/zinc/61/69/46/529616946.db2.gz YDWSLDKCLVKEJD-JKSUJKDBSA-N 2 2 296.842 3.149 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1F ZINC000423517445 529617178 /nfs/dbraw/zinc/61/71/78/529617178.db2.gz YTYGAIPDBNPDOE-YVEFUNNKSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000423382572 529617594 /nfs/dbraw/zinc/61/75/94/529617594.db2.gz GMBNRDZXFHNTOU-GWCFXTLKSA-N 2 2 290.329 3.234 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000423271051 529619055 /nfs/dbraw/zinc/61/90/55/529619055.db2.gz IQFOAUPRNHVSTR-STQMWFEESA-N 2 2 286.366 3.312 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000437008425 529662033 /nfs/dbraw/zinc/66/20/33/529662033.db2.gz RGZCXTDPIZYXKO-CABCVRRESA-N 2 2 273.355 3.078 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000368105125 529673227 /nfs/dbraw/zinc/67/32/27/529673227.db2.gz OJPHGALQQVNENF-ZFWWWQNUSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000368105125 529673229 /nfs/dbraw/zinc/67/32/29/529673229.db2.gz OJPHGALQQVNENF-ZFWWWQNUSA-N 2 2 285.391 3.017 20 0 CGADLP CSCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000126337185 187233889 /nfs/dbraw/zinc/23/38/89/187233889.db2.gz GXVCECBIHGMCGL-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000126337185 187233891 /nfs/dbraw/zinc/23/38/91/187233891.db2.gz GXVCECBIHGMCGL-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1F ZINC000294980267 199282372 /nfs/dbraw/zinc/28/23/72/199282372.db2.gz XIMIICQPRMCTIS-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000623431166 349808121 /nfs/dbraw/zinc/80/81/21/349808121.db2.gz WVIMEBXYLLVGJY-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000623431166 349808124 /nfs/dbraw/zinc/80/81/24/349808124.db2.gz WVIMEBXYLLVGJY-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000335968069 136384680 /nfs/dbraw/zinc/38/46/80/136384680.db2.gz LCPXHISSRDTNGM-BXUZGUMPSA-N 2 2 290.798 3.327 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591867955 346943884 /nfs/dbraw/zinc/94/38/84/346943884.db2.gz UWTDZRRGMMAMRB-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591867955 346943888 /nfs/dbraw/zinc/94/38/88/346943888.db2.gz UWTDZRRGMMAMRB-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000295000944 199293769 /nfs/dbraw/zinc/29/37/69/199293769.db2.gz RNEVOXOWLDJLTH-KSSFIOAISA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000295000944 199293770 /nfs/dbraw/zinc/29/37/70/199293770.db2.gz RNEVOXOWLDJLTH-KSSFIOAISA-N 2 2 297.402 3.169 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]2SC)[NH+](C)C)cc1 ZINC000425349210 529723688 /nfs/dbraw/zinc/72/36/88/529723688.db2.gz FEWHPBKKACWSSO-IKGGRYGDSA-N 2 2 292.492 3.335 20 0 CGADLP CCc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000449608021 529755082 /nfs/dbraw/zinc/75/50/82/529755082.db2.gz DJAFCMDLPQHXIF-UHFFFAOYSA-N 2 2 291.439 3.124 20 0 CGADLP COCC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486799 349818559 /nfs/dbraw/zinc/81/85/59/349818559.db2.gz IWYTUWJCEIJQAK-GJZGRUSLSA-N 2 2 294.439 3.128 20 0 CGADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486799 349818563 /nfs/dbraw/zinc/81/85/63/349818563.db2.gz IWYTUWJCEIJQAK-GJZGRUSLSA-N 2 2 294.439 3.128 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728852 349871769 /nfs/dbraw/zinc/87/17/69/349871769.db2.gz CBDWNFAAWZTXSA-ZCPGHIKRSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728852 349871775 /nfs/dbraw/zinc/87/17/75/349871775.db2.gz CBDWNFAAWZTXSA-ZCPGHIKRSA-N 2 2 262.441 3.028 20 0 CGADLP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623853711 349896476 /nfs/dbraw/zinc/89/64/76/349896476.db2.gz FHWHFSAWNMBLGH-AWEZNQCLSA-N 2 2 293.480 3.232 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000623863925 349899033 /nfs/dbraw/zinc/89/90/33/349899033.db2.gz BVJYDMRLXGQZQK-NFAWXSAZSA-N 2 2 295.496 3.470 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000623860705 349898580 /nfs/dbraw/zinc/89/85/80/349898580.db2.gz BYMXQNKBHPXMAU-RDJZCZTQSA-N 2 2 271.408 3.273 20 0 CGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000623903637 349911718 /nfs/dbraw/zinc/91/17/18/349911718.db2.gz MDUMPZPCLLNCAR-LBPRGKRZSA-N 2 2 288.420 3.007 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423277948 529999843 /nfs/dbraw/zinc/99/98/43/529999843.db2.gz QORNEXULFUPENI-QWHCGFSZSA-N 2 2 289.448 3.316 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037213888 344948818 /nfs/dbraw/zinc/94/88/18/344948818.db2.gz YRDYXPIYWJISLT-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037213888 344948820 /nfs/dbraw/zinc/94/88/20/344948820.db2.gz YRDYXPIYWJISLT-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000044353225 345009544 /nfs/dbraw/zinc/00/95/44/345009544.db2.gz PCFFICYVWWMMPG-OAHLLOKOSA-N 2 2 257.381 3.057 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089605907 232179649 /nfs/dbraw/zinc/17/96/49/232179649.db2.gz HNSNDOGCNIGNAO-HZPDHXFCSA-N 2 2 287.451 3.466 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)on1 ZINC000072974863 345424717 /nfs/dbraw/zinc/42/47/17/345424717.db2.gz LCWFZWAJDSIBOI-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)on1 ZINC000072974863 345424722 /nfs/dbraw/zinc/42/47/22/345424722.db2.gz LCWFZWAJDSIBOI-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)on1 ZINC000072974863 345424724 /nfs/dbraw/zinc/42/47/24/345424724.db2.gz LCWFZWAJDSIBOI-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)on1 ZINC000072974863 345424727 /nfs/dbraw/zinc/42/47/27/345424727.db2.gz LCWFZWAJDSIBOI-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]c1 ZINC000076677355 345547328 /nfs/dbraw/zinc/54/73/28/345547328.db2.gz CJFAQZNSZXRMMV-UHFFFAOYSA-N 2 2 267.376 3.290 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000080338522 345671888 /nfs/dbraw/zinc/67/18/88/345671888.db2.gz TVWZYDJVBUPHMJ-WBVHZDCISA-N 2 2 284.403 3.422 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000080338522 345671894 /nfs/dbraw/zinc/67/18/94/345671894.db2.gz TVWZYDJVBUPHMJ-WBVHZDCISA-N 2 2 284.403 3.422 20 0 CGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2cn1 ZINC000085688753 345747326 /nfs/dbraw/zinc/74/73/26/345747326.db2.gz QDZQWPRMBPFHEG-OAHLLOKOSA-N 2 2 296.418 3.306 20 0 CGADLP c1cc2[nH+]ccc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2cn1 ZINC000085688753 345747332 /nfs/dbraw/zinc/74/73/32/345747332.db2.gz QDZQWPRMBPFHEG-OAHLLOKOSA-N 2 2 296.418 3.306 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091336671 345811006 /nfs/dbraw/zinc/81/10/06/345811006.db2.gz ZTDYRWILYULSCX-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091336671 345811008 /nfs/dbraw/zinc/81/10/08/345811008.db2.gz ZTDYRWILYULSCX-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479533 345815960 /nfs/dbraw/zinc/81/59/60/345815960.db2.gz NBYUMRKMCMJYNY-LBPRGKRZSA-N 2 2 296.349 3.481 20 0 CGADLP CC[N@@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090092128 345782012 /nfs/dbraw/zinc/78/20/12/345782012.db2.gz PBEURKBXTVQKKT-UHFFFAOYSA-N 2 2 290.455 3.255 20 0 CGADLP CC[N@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090092128 345782015 /nfs/dbraw/zinc/78/20/15/345782015.db2.gz PBEURKBXTVQKKT-UHFFFAOYSA-N 2 2 290.455 3.255 20 0 CGADLP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090117201 345783750 /nfs/dbraw/zinc/78/37/50/345783750.db2.gz DMGKNNPXEXUBMX-HOTGVXAUSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000092072717 345829815 /nfs/dbraw/zinc/82/98/15/345829815.db2.gz HCQAYANEGCSREG-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000092072717 345829817 /nfs/dbraw/zinc/82/98/17/345829817.db2.gz HCQAYANEGCSREG-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865711 345890891 /nfs/dbraw/zinc/89/08/91/345890891.db2.gz OLAVBHFAPUUTCS-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865711 345890893 /nfs/dbraw/zinc/89/08/93/345890893.db2.gz OLAVBHFAPUUTCS-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000093866262 345890965 /nfs/dbraw/zinc/89/09/65/345890965.db2.gz OMEQEOGVBCAPFJ-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000093866262 345890966 /nfs/dbraw/zinc/89/09/66/345890966.db2.gz OMEQEOGVBCAPFJ-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000093175455 345872380 /nfs/dbraw/zinc/87/23/80/345872380.db2.gz WOOGBJRMVFGQCJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000093175455 345872382 /nfs/dbraw/zinc/87/23/82/345872382.db2.gz WOOGBJRMVFGQCJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093643735 345884177 /nfs/dbraw/zinc/88/41/77/345884177.db2.gz IZXYFYKELIVIBA-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093643735 345884179 /nfs/dbraw/zinc/88/41/79/345884179.db2.gz IZXYFYKELIVIBA-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643735 345884180 /nfs/dbraw/zinc/88/41/80/345884180.db2.gz IZXYFYKELIVIBA-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643735 345884183 /nfs/dbraw/zinc/88/41/83/345884183.db2.gz IZXYFYKELIVIBA-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000108424278 345937551 /nfs/dbraw/zinc/93/75/51/345937551.db2.gz XKVJEDXXLHZNPB-RXBGNRNISA-N 2 2 270.420 3.164 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424278 345937554 /nfs/dbraw/zinc/93/75/54/345937554.db2.gz XKVJEDXXLHZNPB-RXBGNRNISA-N 2 2 270.420 3.164 20 0 CGADLP COc1ccc(F)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000351660266 219167636 /nfs/dbraw/zinc/16/76/36/219167636.db2.gz XQVQMRKYEWDHTG-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000351660266 219167638 /nfs/dbraw/zinc/16/76/38/219167638.db2.gz XQVQMRKYEWDHTG-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000351660266 219167640 /nfs/dbraw/zinc/16/76/40/219167640.db2.gz XQVQMRKYEWDHTG-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000351660266 219167643 /nfs/dbraw/zinc/16/76/43/219167643.db2.gz XQVQMRKYEWDHTG-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1c[nH+]cn1C ZINC000177247720 232358422 /nfs/dbraw/zinc/35/84/22/232358422.db2.gz FHTHORQXIHXDRL-GFCCVEGCSA-N 2 2 269.348 3.359 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH+]cn1C ZINC000177247720 232358428 /nfs/dbraw/zinc/35/84/28/232358428.db2.gz FHTHORQXIHXDRL-GFCCVEGCSA-N 2 2 269.348 3.359 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000156388019 346158298 /nfs/dbraw/zinc/15/82/98/346158298.db2.gz VVYUTVCSGWLMGJ-OAHLLOKOSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000156388019 346158301 /nfs/dbraw/zinc/15/83/01/346158301.db2.gz VVYUTVCSGWLMGJ-OAHLLOKOSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(F)c1F ZINC000224977352 346302514 /nfs/dbraw/zinc/30/25/14/346302514.db2.gz RQLIZYPDUBLTRP-LBPRGKRZSA-N 2 2 279.334 3.292 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000225379416 346304061 /nfs/dbraw/zinc/30/40/61/346304061.db2.gz PWPAJIUKFOMQGV-OAHLLOKOSA-N 2 2 260.406 3.100 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000250430378 346385538 /nfs/dbraw/zinc/38/55/38/346385538.db2.gz HYFZHOPUUBJGKE-SMDDNHRTSA-N 2 2 252.427 3.012 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000250430378 346385540 /nfs/dbraw/zinc/38/55/40/346385540.db2.gz HYFZHOPUUBJGKE-SMDDNHRTSA-N 2 2 252.427 3.012 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250627177 346386333 /nfs/dbraw/zinc/38/63/33/346386333.db2.gz GLGQDIDZXJBEMW-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250627177 346386335 /nfs/dbraw/zinc/38/63/35/346386335.db2.gz GLGQDIDZXJBEMW-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1c[nH+]ccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000191979797 334964517 /nfs/dbraw/zinc/96/45/17/334964517.db2.gz OQUZVGVLQWQVJQ-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000624101099 349970596 /nfs/dbraw/zinc/97/05/96/349970596.db2.gz JLZMSWTYBRFFCD-BRWVUGGUSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000624101099 349970599 /nfs/dbraw/zinc/97/05/99/349970599.db2.gz JLZMSWTYBRFFCD-BRWVUGGUSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000584588180 346685442 /nfs/dbraw/zinc/68/54/42/346685442.db2.gz UPASOAXGDUVWJO-RHSMWYFYSA-N 2 2 282.387 3.087 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1coc2ccccc12 ZINC000339407416 215153501 /nfs/dbraw/zinc/15/35/01/215153501.db2.gz KZNHXRCPFQXKRR-UHFFFAOYSA-N 2 2 281.359 3.184 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439862 215171839 /nfs/dbraw/zinc/17/18/39/215171839.db2.gz VBIAZPZKIJVTIJ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439862 215171843 /nfs/dbraw/zinc/17/18/43/215171843.db2.gz VBIAZPZKIJVTIJ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439862 215171845 /nfs/dbraw/zinc/17/18/45/215171845.db2.gz VBIAZPZKIJVTIJ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439862 215171849 /nfs/dbraw/zinc/17/18/49/215171849.db2.gz VBIAZPZKIJVTIJ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2F)n1-c1ccccc1 ZINC000339588495 215260498 /nfs/dbraw/zinc/26/04/98/215260498.db2.gz ZLOZZZATHOEYMV-JKSUJKDBSA-N 2 2 273.355 3.161 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625268594 350149853 /nfs/dbraw/zinc/14/98/53/350149853.db2.gz PYHYZDWUWLFRPT-CABCVRRESA-N 2 2 263.429 3.426 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625268594 350149856 /nfs/dbraw/zinc/14/98/56/350149856.db2.gz PYHYZDWUWLFRPT-CABCVRRESA-N 2 2 263.429 3.426 20 0 CGADLP C[C@@H]1CC(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000625438905 350172243 /nfs/dbraw/zinc/17/22/43/350172243.db2.gz VTBBUYUKMPMGKQ-STQMWFEESA-N 2 2 261.413 3.230 20 0 CGADLP C[C@@H]1CC(CC[N@H+]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000625438905 350172246 /nfs/dbraw/zinc/17/22/46/350172246.db2.gz VTBBUYUKMPMGKQ-STQMWFEESA-N 2 2 261.413 3.230 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000628156246 350414664 /nfs/dbraw/zinc/41/46/64/350414664.db2.gz IPJABMOOJMCXHL-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000628156246 350414667 /nfs/dbraw/zinc/41/46/67/350414667.db2.gz IPJABMOOJMCXHL-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000628156246 350414671 /nfs/dbraw/zinc/41/46/71/350414671.db2.gz IPJABMOOJMCXHL-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000628156246 350414675 /nfs/dbraw/zinc/41/46/75/350414675.db2.gz IPJABMOOJMCXHL-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000628244229 350464226 /nfs/dbraw/zinc/46/42/26/350464226.db2.gz XSQSJOZLEZIQAF-HNNXBMFYSA-N 2 2 260.425 3.172 20 0 CGADLP C[C@]1(C[NH2+]CCCCNc2cccc[nH+]2)CCCS1 ZINC000628211680 350442267 /nfs/dbraw/zinc/44/22/67/350442267.db2.gz YEWZOMASUBEXFE-OAHLLOKOSA-N 2 2 279.453 3.149 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)s1 ZINC000629525968 350702402 /nfs/dbraw/zinc/70/24/02/350702402.db2.gz HNZKOEDPMSQQAY-KGYLQXTDSA-N 2 2 252.427 3.102 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)c(C)c2c1 ZINC000629549498 350711242 /nfs/dbraw/zinc/71/12/42/350711242.db2.gz XKZKIAPMTGNISJ-YWPYICTPSA-N 2 2 288.391 3.151 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000629553150 350711717 /nfs/dbraw/zinc/71/17/17/350711717.db2.gz UXACBJMCWFBNSO-CRAIPNDOSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000629553150 350711720 /nfs/dbraw/zinc/71/17/20/350711720.db2.gz UXACBJMCWFBNSO-CRAIPNDOSA-N 2 2 287.451 3.081 20 0 CGADLP C[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000629551280 350711838 /nfs/dbraw/zinc/71/18/38/350711838.db2.gz SUUZMDCLOPRFQV-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)ccc2c1 ZINC000629394358 350687506 /nfs/dbraw/zinc/68/75/06/350687506.db2.gz HMYGJLOSJMBZLM-DYVFJYSZSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000629396979 350688620 /nfs/dbraw/zinc/68/86/20/350688620.db2.gz RWQXZQWVMAYKNO-MWLCHTKSSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C[NH2+]1 ZINC000629419356 350690746 /nfs/dbraw/zinc/69/07/46/350690746.db2.gz YDOFIULTVJYVPI-GHMZBOCLSA-N 2 2 293.461 3.102 20 0 CGADLP CCC[N@H+](Cc1cnc2ccc(C)cc2c1)[C@H]1CC[NH2+]C1 ZINC000629510058 350699182 /nfs/dbraw/zinc/69/91/82/350699182.db2.gz FMEAVYKPMNYWNN-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1cnc2ccc(C)cc2c1)[C@H]1CC[NH2+]C1 ZINC000629510058 350699186 /nfs/dbraw/zinc/69/91/86/350699186.db2.gz FMEAVYKPMNYWNN-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2c1 ZINC000629515445 350699733 /nfs/dbraw/zinc/69/97/33/350699733.db2.gz TVGPFLQAMJTOBJ-RDTXWAMCSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2c1 ZINC000629515445 350699736 /nfs/dbraw/zinc/69/97/36/350699736.db2.gz TVGPFLQAMJTOBJ-RDTXWAMCSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000629515016 350700012 /nfs/dbraw/zinc/70/00/12/350700012.db2.gz OXFWCERODOYXCO-GUYCJALGSA-N 2 2 275.440 3.073 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000629515016 350700014 /nfs/dbraw/zinc/70/00/14/350700014.db2.gz OXFWCERODOYXCO-GUYCJALGSA-N 2 2 275.440 3.073 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000629520477 350700773 /nfs/dbraw/zinc/70/07/73/350700773.db2.gz MAQHSCPVEZYZQX-NHYWBVRUSA-N 2 2 294.439 3.483 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000629523200 350701274 /nfs/dbraw/zinc/70/12/74/350701274.db2.gz BIEAFEWDDBBGLI-LEWSCRJBSA-N 2 2 297.240 3.240 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000629524977 350701449 /nfs/dbraw/zinc/70/14/49/350701449.db2.gz WTQXEAILZPLCME-DDTOSNHZSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000629524358 350701487 /nfs/dbraw/zinc/70/14/87/350701487.db2.gz PJLBGFZMRQMRDV-KGYLQXTDSA-N 2 2 284.350 3.079 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000629655754 350731588 /nfs/dbraw/zinc/73/15/88/350731588.db2.gz YJLQAKPCSRPMGQ-UHFFFAOYSA-N 2 2 294.345 3.222 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000629655754 350731591 /nfs/dbraw/zinc/73/15/91/350731591.db2.gz YJLQAKPCSRPMGQ-UHFFFAOYSA-N 2 2 294.345 3.222 20 0 CGADLP Cc1csc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000630053270 350802203 /nfs/dbraw/zinc/80/22/03/350802203.db2.gz REWAJPDQSLPIID-OAHLLOKOSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1csc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)n1 ZINC000630053270 350802207 /nfs/dbraw/zinc/80/22/07/350802207.db2.gz REWAJPDQSLPIID-OAHLLOKOSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)c[nH+]c12 ZINC000631254477 351007936 /nfs/dbraw/zinc/00/79/36/351007936.db2.gz LFYSCBRPEFTAAZ-IRXDYDNUSA-N 2 2 299.418 3.080 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173009 350978567 /nfs/dbraw/zinc/97/85/67/350978567.db2.gz NEWZQVSHKBDELZ-DLBZAZTESA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173009 350978572 /nfs/dbraw/zinc/97/85/72/350978572.db2.gz NEWZQVSHKBDELZ-DLBZAZTESA-N 2 2 281.403 3.155 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000631259038 351009092 /nfs/dbraw/zinc/00/90/92/351009092.db2.gz HYFLXJUAPMSTKK-KRWDZBQOSA-N 2 2 290.476 3.055 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000631259038 351009097 /nfs/dbraw/zinc/00/90/97/351009097.db2.gz HYFLXJUAPMSTKK-KRWDZBQOSA-N 2 2 290.476 3.055 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261337 351010954 /nfs/dbraw/zinc/01/09/54/351010954.db2.gz WZLRXUAOEQWRBY-FAAHXZRKSA-N 2 2 298.352 3.362 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261337 351010955 /nfs/dbraw/zinc/01/09/55/351010955.db2.gz WZLRXUAOEQWRBY-FAAHXZRKSA-N 2 2 298.352 3.362 20 0 CGADLP FC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000631284696 351015449 /nfs/dbraw/zinc/01/54/49/351015449.db2.gz RWWLFKWVRVLHML-OAGGEKHMSA-N 2 2 280.362 3.053 20 0 CGADLP FC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000631284696 351015451 /nfs/dbraw/zinc/01/54/51/351015451.db2.gz RWWLFKWVRVLHML-OAGGEKHMSA-N 2 2 280.362 3.053 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000631645327 351103766 /nfs/dbraw/zinc/10/37/66/351103766.db2.gz ODYYYVPXQMLWPU-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000631645327 351103771 /nfs/dbraw/zinc/10/37/71/351103771.db2.gz ODYYYVPXQMLWPU-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000631650326 351106017 /nfs/dbraw/zinc/10/60/17/351106017.db2.gz NMTMXXKEIIRBIE-MAUKXSAKSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000631650326 351106020 /nfs/dbraw/zinc/10/60/20/351106020.db2.gz NMTMXXKEIIRBIE-MAUKXSAKSA-N 2 2 285.435 3.066 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000631827840 351148697 /nfs/dbraw/zinc/14/86/97/351148697.db2.gz XUSYHEWRBXZXKD-QZTJIDSGSA-N 2 2 287.451 3.113 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000631827840 351148702 /nfs/dbraw/zinc/14/87/02/351148702.db2.gz XUSYHEWRBXZXKD-QZTJIDSGSA-N 2 2 287.451 3.113 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890232 351153188 /nfs/dbraw/zinc/15/31/88/351153188.db2.gz PZVFTSYCFHBOTE-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890232 351153194 /nfs/dbraw/zinc/15/31/94/351153194.db2.gz PZVFTSYCFHBOTE-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)c2ccccc21 ZINC000635009270 351627163 /nfs/dbraw/zinc/62/71/63/351627163.db2.gz MTAJNUYKVKEMRO-LSDHHAIUSA-N 2 2 274.314 3.199 20 0 CGADLP C[C@@H](C[NH2+]Cc1csc(-c2cccs2)n1)C[NH+](C)C ZINC000291713839 198067826 /nfs/dbraw/zinc/06/78/26/198067826.db2.gz LTMZCSJMHOXUSW-NSHDSACASA-N 2 2 295.477 3.159 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000123167454 187075038 /nfs/dbraw/zinc/07/50/38/187075038.db2.gz OQSWKFQEOBPKNU-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@H+]1C ZINC000123167454 187075039 /nfs/dbraw/zinc/07/50/39/187075039.db2.gz OQSWKFQEOBPKNU-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167454 187075040 /nfs/dbraw/zinc/07/50/40/187075040.db2.gz OQSWKFQEOBPKNU-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167454 187075041 /nfs/dbraw/zinc/07/50/41/187075041.db2.gz OQSWKFQEOBPKNU-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP CCC(CC)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000291755269 198081124 /nfs/dbraw/zinc/08/11/24/198081124.db2.gz QPLULAHYUYCXCC-UHFFFAOYSA-N 2 2 287.407 3.167 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000365634364 234118837 /nfs/dbraw/zinc/11/88/37/234118837.db2.gz YIJNPPJDFPORNE-GFCCVEGCSA-N 2 2 289.345 3.332 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000367307722 234203670 /nfs/dbraw/zinc/20/36/70/234203670.db2.gz KQWTZMZUABFMMC-LJQANCHMSA-N 2 2 295.430 3.099 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000367322293 234203925 /nfs/dbraw/zinc/20/39/25/234203925.db2.gz PLMFHRSLVNYYBL-INIZCTEOSA-N 2 2 299.418 3.122 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000367322293 234203926 /nfs/dbraw/zinc/20/39/26/234203926.db2.gz PLMFHRSLVNYYBL-INIZCTEOSA-N 2 2 299.418 3.122 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367368807 234209635 /nfs/dbraw/zinc/20/96/35/234209635.db2.gz XDVNYDUPFIHYBS-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292191210 198196259 /nfs/dbraw/zinc/19/62/59/198196259.db2.gz RIKXGBZQCCHFJE-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292191210 198196261 /nfs/dbraw/zinc/19/62/61/198196261.db2.gz RIKXGBZQCCHFJE-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292191210 198196262 /nfs/dbraw/zinc/19/62/62/198196262.db2.gz RIKXGBZQCCHFJE-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292191210 198196264 /nfs/dbraw/zinc/19/62/64/198196264.db2.gz RIKXGBZQCCHFJE-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367600295 234230508 /nfs/dbraw/zinc/23/05/08/234230508.db2.gz JHGWYJACKKMCAZ-HNNXBMFYSA-N 2 2 292.471 3.209 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000367599869 234231364 /nfs/dbraw/zinc/23/13/64/234231364.db2.gz IGZKRPWWCFKDRD-QWHCGFSZSA-N 2 2 295.390 3.316 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(Cl)c1 ZINC000336452621 213319420 /nfs/dbraw/zinc/31/94/20/213319420.db2.gz JEYPNUQDCSARFH-PSASIEDQSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1csc(Cl)c1 ZINC000336452621 213319421 /nfs/dbraw/zinc/31/94/21/213319421.db2.gz JEYPNUQDCSARFH-PSASIEDQSA-N 2 2 281.812 3.333 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000336446071 213310134 /nfs/dbraw/zinc/31/01/34/213310134.db2.gz CXPAJDLEYJUAAT-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000336446071 213310136 /nfs/dbraw/zinc/31/01/36/213310136.db2.gz CXPAJDLEYJUAAT-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000154539266 188148897 /nfs/dbraw/zinc/14/88/97/188148897.db2.gz WNULIYRLNBRMLF-NXEZZACHSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000154539266 188148898 /nfs/dbraw/zinc/14/88/98/188148898.db2.gz WNULIYRLNBRMLF-NXEZZACHSA-N 2 2 258.818 3.146 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]C(C3CC3)C3CC3)[nH]c2c1 ZINC000156152628 188246345 /nfs/dbraw/zinc/24/63/45/188246345.db2.gz MWSBWGBUXGGMJP-UHFFFAOYSA-N 2 2 269.392 3.274 20 0 CGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000155739368 188224657 /nfs/dbraw/zinc/22/46/57/188224657.db2.gz AQMBWKSRGFBEBE-WBMJQRKESA-N 2 2 299.374 3.186 20 0 CGADLP CC(C)c1[nH+]ccn1Cc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000156737860 188278957 /nfs/dbraw/zinc/27/89/57/188278957.db2.gz XIEYSWJPXNGWHC-UHFFFAOYSA-N 2 2 295.390 3.390 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157273730 188306908 /nfs/dbraw/zinc/30/69/08/188306908.db2.gz QJIVABCMALUKOF-KRWDZBQOSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157273730 188306910 /nfs/dbraw/zinc/30/69/10/188306910.db2.gz QJIVABCMALUKOF-KRWDZBQOSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157426415 188317004 /nfs/dbraw/zinc/31/70/04/188317004.db2.gz BNZOVGGTIUHGFV-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157426415 188317006 /nfs/dbraw/zinc/31/70/06/188317006.db2.gz BNZOVGGTIUHGFV-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccoc1)CCC2 ZINC000374574466 234697022 /nfs/dbraw/zinc/69/70/22/234697022.db2.gz HOWWZOIPSUFMQJ-OLZOCXBDSA-N 2 2 259.353 3.013 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3c(Cl)cccc32)c1 ZINC000414129638 235342496 /nfs/dbraw/zinc/34/24/96/235342496.db2.gz VPGNQGKQIYFTLT-MRXNPFEDSA-N 2 2 289.810 3.283 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127146 235342703 /nfs/dbraw/zinc/34/27/03/235342703.db2.gz PRPQSSZCQRJGQO-BBRMVZONSA-N 2 2 269.392 3.109 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252818521 291084637 /nfs/dbraw/zinc/08/46/37/291084637.db2.gz ZPZRVMAVLYHNGA-NIFZNCRKSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252818521 291084641 /nfs/dbraw/zinc/08/46/41/291084641.db2.gz ZPZRVMAVLYHNGA-NIFZNCRKSA-N 2 2 250.430 3.026 20 0 CGADLP C[N@H+](Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119308181 370663757 /nfs/dbraw/zinc/66/37/57/370663757.db2.gz QPBZZHLJMBTBPX-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP C[N@@H+](Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119308181 370663765 /nfs/dbraw/zinc/66/37/65/370663765.db2.gz QPBZZHLJMBTBPX-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H]([NH2+]CCc1cscn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000108942154 138361268 /nfs/dbraw/zinc/36/12/68/138361268.db2.gz KYBCUKYWNBPHBI-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000128604584 138393689 /nfs/dbraw/zinc/39/36/89/138393689.db2.gz RTMVSVTZHWVDAK-AGIUHOORSA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000128604584 138393690 /nfs/dbraw/zinc/39/36/90/138393690.db2.gz RTMVSVTZHWVDAK-AGIUHOORSA-N 2 2 281.469 3.085 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000130066907 138399204 /nfs/dbraw/zinc/39/92/04/138399204.db2.gz ZDCYOPIHAOMDGG-XHDPSFHLSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423229401 236003306 /nfs/dbraw/zinc/00/33/06/236003306.db2.gz BDVMVKPSELPPCD-UKRRQHHQSA-N 2 2 270.376 3.349 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423233661 236004816 /nfs/dbraw/zinc/00/48/16/236004816.db2.gz KIGLRVCMZCZDLG-QWHCGFSZSA-N 2 2 288.391 3.152 20 0 CGADLP Clc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423241664 236006162 /nfs/dbraw/zinc/00/61/62/236006162.db2.gz VCCPDZNFXCKIKP-LSDHHAIUSA-N 2 2 264.800 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423239910 236006308 /nfs/dbraw/zinc/00/63/08/236006308.db2.gz SVTPHOXZQDTCOY-QWHCGFSZSA-N 2 2 272.367 3.382 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244038 236007637 /nfs/dbraw/zinc/00/76/37/236007637.db2.gz XCBNSCCLSKYPSG-CHWSQXEVSA-N 2 2 258.365 3.144 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000423247300 236007883 /nfs/dbraw/zinc/00/78/83/236007883.db2.gz LBSOOBYNEARSFL-KSSFIOAISA-N 2 2 284.403 3.354 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])c2ccccc2)cc1 ZINC000423288029 236024270 /nfs/dbraw/zinc/02/42/70/236024270.db2.gz PZWSSHXUCOIPHD-KRWDZBQOSA-N 2 2 284.403 3.112 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000423315854 236035554 /nfs/dbraw/zinc/03/55/54/236035554.db2.gz BCKIBLQJGORXQE-KRWDZBQOSA-N 2 2 284.378 3.386 20 0 CGADLP Cc1cccc([C@@H]([NH2+][C@@H](C)C[NH3+])c2cccc(F)c2)c1 ZINC000423385702 236058961 /nfs/dbraw/zinc/05/89/61/236058961.db2.gz GXJHQZOCNNJPNC-SUMWQHHRSA-N 2 2 272.367 3.160 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1csc(Cl)c1 ZINC000423356005 236048369 /nfs/dbraw/zinc/04/83/69/236048369.db2.gz GHJKEXSPRHTRKE-YWVKMMECSA-N 2 2 258.818 3.050 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000482220277 535365385 /nfs/dbraw/zinc/36/53/85/535365385.db2.gz MYGFYSPKJXGVQX-ROUUACIJSA-N 2 2 296.499 3.459 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423372603 236054362 /nfs/dbraw/zinc/05/43/62/236054362.db2.gz RFHWAFONEOASOQ-CABZTGNLSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1C ZINC000423407064 236066799 /nfs/dbraw/zinc/06/67/99/236066799.db2.gz VGEWGOSDAMIOND-OSLDLMBLSA-N 2 2 268.404 3.474 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423440539 236071017 /nfs/dbraw/zinc/07/10/17/236071017.db2.gz VRCSAVUEPGNKIG-LIRRHRJNSA-N 2 2 296.414 3.233 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)c1 ZINC000425342798 236233140 /nfs/dbraw/zinc/23/31/40/236233140.db2.gz ZZLCMIZHHKIRQP-GUYCJALGSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)c1 ZINC000425342798 236233141 /nfs/dbraw/zinc/23/31/41/236233141.db2.gz ZZLCMIZHHKIRQP-GUYCJALGSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342798 236233143 /nfs/dbraw/zinc/23/31/43/236233143.db2.gz ZZLCMIZHHKIRQP-GUYCJALGSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342798 236233144 /nfs/dbraw/zinc/23/31/44/236233144.db2.gz ZZLCMIZHHKIRQP-GUYCJALGSA-N 2 2 294.389 3.189 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427709012 236342396 /nfs/dbraw/zinc/34/23/96/236342396.db2.gz FIZAOOZXMLYTCU-GOSISDBHSA-N 2 2 290.451 3.004 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427709012 236342401 /nfs/dbraw/zinc/34/24/01/236342401.db2.gz FIZAOOZXMLYTCU-GOSISDBHSA-N 2 2 290.451 3.004 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427854165 236348594 /nfs/dbraw/zinc/34/85/94/236348594.db2.gz PVFDAIPCZGSNAJ-GXTWGEPZSA-N 2 2 287.432 3.271 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427878189 236351366 /nfs/dbraw/zinc/35/13/66/236351366.db2.gz VFJRKZAMIKQOLC-OCCSQVGLSA-N 2 2 281.359 3.295 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000427896040 236353410 /nfs/dbraw/zinc/35/34/10/236353410.db2.gz OOSKFOQSSRVQAZ-ZBFHGGJFSA-N 2 2 283.419 3.154 20 0 CGADLP C[N@H+](Cc1cccc(O)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294652537 199124087 /nfs/dbraw/zinc/12/40/87/199124087.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP C[N@@H+](Cc1cccc(O)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294652537 199124088 /nfs/dbraw/zinc/12/40/88/199124088.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP C[NH+](Cc1cccc(O)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294652537 199124090 /nfs/dbraw/zinc/12/40/90/199124090.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP C[NH+](Cc1cccc(O)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294652537 199124092 /nfs/dbraw/zinc/12/40/92/199124092.db2.gz KZAPANNEKUQMOK-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000350937483 138598795 /nfs/dbraw/zinc/59/87/95/138598795.db2.gz HCDMDZBRCOSCCQ-CABCVRRESA-N 2 2 261.413 3.300 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1F ZINC000296980125 200052865 /nfs/dbraw/zinc/05/28/65/200052865.db2.gz VELPMZPZMULXJQ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1F ZINC000296980125 200052867 /nfs/dbraw/zinc/05/28/67/200052867.db2.gz VELPMZPZMULXJQ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000437776036 237344594 /nfs/dbraw/zinc/34/45/94/237344594.db2.gz OJVKYDXIVLIKFC-NRSFXHEJSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000437776036 237344599 /nfs/dbraw/zinc/34/45/99/237344599.db2.gz OJVKYDXIVLIKFC-NRSFXHEJSA-N 2 2 272.436 3.395 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000176991547 189019234 /nfs/dbraw/zinc/01/92/34/189019234.db2.gz VNDOHMZZUJGICF-IRXDYDNUSA-N 2 2 296.418 3.422 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000176991547 189019235 /nfs/dbraw/zinc/01/92/35/189019235.db2.gz VNDOHMZZUJGICF-IRXDYDNUSA-N 2 2 296.418 3.422 20 0 CGADLP C[C@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190589 189035698 /nfs/dbraw/zinc/03/56/98/189035698.db2.gz LFIKERJQEYKFAZ-XIRDDKMYSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190589 189035699 /nfs/dbraw/zinc/03/56/99/189035699.db2.gz LFIKERJQEYKFAZ-XIRDDKMYSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970006 189082591 /nfs/dbraw/zinc/08/25/91/189082591.db2.gz GOPLDIVSDOLNHU-KEYYUXOJSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970006 189082592 /nfs/dbraw/zinc/08/25/92/189082592.db2.gz GOPLDIVSDOLNHU-KEYYUXOJSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342048876 216198878 /nfs/dbraw/zinc/19/88/78/216198878.db2.gz NJRBHMSDSTXUGT-INIZCTEOSA-N 2 2 295.430 3.495 20 0 CGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCCC1 ZINC000474478065 299313819 /nfs/dbraw/zinc/31/38/19/299313819.db2.gz JPBIYCTWRWYWEI-YJBOKZPZSA-N 2 2 274.452 3.328 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC(OC3CCCC3)CC2)[nH+]1 ZINC000179950376 189229195 /nfs/dbraw/zinc/22/91/95/189229195.db2.gz OKDCYYBOWYQBHS-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP Cc1cccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000181140235 189289001 /nfs/dbraw/zinc/28/90/01/189289001.db2.gz FNUWYOBECJNXAL-UHFFFAOYSA-N 2 2 283.419 3.461 20 0 CGADLP c1cn(CC[NH2+][C@H](CC2CCC2)c2ccccc2)c[nH+]1 ZINC000181406072 189295945 /nfs/dbraw/zinc/29/59/45/189295945.db2.gz ACPDQTBFWSKJAY-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1nc(C)[nH+]c(C)c1C ZINC000301425321 201003178 /nfs/dbraw/zinc/00/31/78/201003178.db2.gz BVRYRXWJIWONEC-UHFFFAOYSA-N 2 2 295.390 3.172 20 0 CGADLP CC(C)(C)c1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000301506620 201035878 /nfs/dbraw/zinc/03/58/78/201035878.db2.gz HBMXGRRJDKAVQO-UHFFFAOYSA-N 2 2 290.455 3.495 20 0 CGADLP CC(C)=CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182188448 189317089 /nfs/dbraw/zinc/31/70/89/189317089.db2.gz PRZVZDZSABSLHN-CQSZACIVSA-N 2 2 255.365 3.489 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1Cl ZINC000301517626 201041867 /nfs/dbraw/zinc/04/18/67/201041867.db2.gz MDJWIYLWBPVRBZ-GFCCVEGCSA-N 2 2 267.804 3.411 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1Cl ZINC000301517626 201041870 /nfs/dbraw/zinc/04/18/70/201041870.db2.gz MDJWIYLWBPVRBZ-GFCCVEGCSA-N 2 2 267.804 3.411 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000301544594 201061251 /nfs/dbraw/zinc/06/12/51/201061251.db2.gz OIPGQACJTOFUMW-NSHDSACASA-N 2 2 253.777 3.021 20 0 CGADLP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000301544594 201061256 /nfs/dbraw/zinc/06/12/56/201061256.db2.gz OIPGQACJTOFUMW-NSHDSACASA-N 2 2 253.777 3.021 20 0 CGADLP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610719 201094318 /nfs/dbraw/zinc/09/43/18/201094318.db2.gz CURBJKDKNVIIEI-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610719 201094322 /nfs/dbraw/zinc/09/43/22/201094322.db2.gz CURBJKDKNVIIEI-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cs1 ZINC000449015206 239114022 /nfs/dbraw/zinc/11/40/22/239114022.db2.gz KPTGGXZGBOEFLL-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449045012 239140162 /nfs/dbraw/zinc/14/01/62/239140162.db2.gz GRMJVYGJRXGQSC-SJLPKXTDSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449045012 239140167 /nfs/dbraw/zinc/14/01/67/239140167.db2.gz GRMJVYGJRXGQSC-SJLPKXTDSA-N 2 2 283.419 3.317 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449075274 239160452 /nfs/dbraw/zinc/16/04/52/239160452.db2.gz MNFFKUXSWYJCQJ-AWEZNQCLSA-N 2 2 295.386 3.223 20 0 CGADLP CCCc1[nH+]ccn1CCCCn1cc[nH+]c1CCC ZINC000119669866 370696522 /nfs/dbraw/zinc/69/65/22/370696522.db2.gz FJPBWHOQTDKWPK-UHFFFAOYSA-N 2 2 274.412 3.465 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000119677245 370697765 /nfs/dbraw/zinc/69/77/65/370697765.db2.gz MFVUGCKNADLOSQ-JTQLQIEISA-N 2 2 298.352 3.381 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000119904300 370722150 /nfs/dbraw/zinc/72/21/50/370722150.db2.gz QVFJOPHNWLCMTB-ZNMIVQPWSA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000119904300 370722155 /nfs/dbraw/zinc/72/21/55/370722155.db2.gz QVFJOPHNWLCMTB-ZNMIVQPWSA-N 2 2 296.480 3.288 20 0 CGADLP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC000451512685 240315662 /nfs/dbraw/zinc/31/56/62/240315662.db2.gz XQWSVGPUSNYMQQ-DLBZAZTESA-N 2 2 299.418 3.084 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275761806 193123072 /nfs/dbraw/zinc/12/30/72/193123072.db2.gz UPNMYPPXVURDIC-NXHRZFHOSA-N 2 2 283.419 3.372 20 0 CGADLP CC1(C)Cc2ccsc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000459589076 242139158 /nfs/dbraw/zinc/13/91/58/242139158.db2.gz XHGCYJXGMPQFDE-UHFFFAOYSA-N 2 2 275.421 3.172 20 0 CGADLP CC1(C)Cc2ccsc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000459589076 242139161 /nfs/dbraw/zinc/13/91/61/242139161.db2.gz XHGCYJXGMPQFDE-UHFFFAOYSA-N 2 2 275.421 3.172 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398192 242098326 /nfs/dbraw/zinc/09/83/26/242098326.db2.gz AHIUTUMCYFXVNJ-KBXCAEBGSA-N 2 2 299.418 3.054 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398192 242098332 /nfs/dbraw/zinc/09/83/32/242098332.db2.gz AHIUTUMCYFXVNJ-KBXCAEBGSA-N 2 2 299.418 3.054 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)n1-c1ccccc1 ZINC000459626504 242150679 /nfs/dbraw/zinc/15/06/79/242150679.db2.gz CMGVWTBFLCWMMV-RHNCMZPLSA-N 2 2 299.418 3.226 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459673371 242174495 /nfs/dbraw/zinc/17/44/95/242174495.db2.gz YLMGCKGILWJKSK-UKTHLTGXSA-N 2 2 289.810 3.309 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712880 242189497 /nfs/dbraw/zinc/18/94/97/242189497.db2.gz NQLOQVRUJWMALW-XJKSGUPXSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712880 242189503 /nfs/dbraw/zinc/18/95/03/242189503.db2.gz NQLOQVRUJWMALW-XJKSGUPXSA-N 2 2 292.854 3.202 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433917 243103106 /nfs/dbraw/zinc/10/31/06/243103106.db2.gz CJTQLBVRLTWMRU-HOCLYGCPSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433917 243103109 /nfs/dbraw/zinc/10/31/09/243103109.db2.gz CJTQLBVRLTWMRU-HOCLYGCPSA-N 2 2 297.446 3.500 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000479441447 243104222 /nfs/dbraw/zinc/10/42/22/243104222.db2.gz UIQLHXWXFAKKAF-WMLDXEAASA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000479441447 243104228 /nfs/dbraw/zinc/10/42/28/243104228.db2.gz UIQLHXWXFAKKAF-WMLDXEAASA-N 2 2 272.436 3.354 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000480087836 243137505 /nfs/dbraw/zinc/13/75/05/243137505.db2.gz DLSIAZWROZYZRD-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000480087836 243137508 /nfs/dbraw/zinc/13/75/08/243137508.db2.gz DLSIAZWROZYZRD-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000480095459 243138149 /nfs/dbraw/zinc/13/81/49/243138149.db2.gz PEEHAJPOOHJVAM-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000480095459 243138154 /nfs/dbraw/zinc/13/81/54/243138154.db2.gz PEEHAJPOOHJVAM-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c2ccccc12 ZINC000482510777 243229840 /nfs/dbraw/zinc/22/98/40/243229840.db2.gz MRSKFXUHSKSCQF-ZIAGYGMSSA-N 2 2 286.419 3.449 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486855999 243375200 /nfs/dbraw/zinc/37/52/00/243375200.db2.gz NKMOZMAWTUZCJM-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486855999 243375205 /nfs/dbraw/zinc/37/52/05/243375205.db2.gz NKMOZMAWTUZCJM-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP C(=C\c1ccncc1)\C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000486940023 243382332 /nfs/dbraw/zinc/38/23/32/243382332.db2.gz PDLFETZMSGKMJI-HYXAFXHYSA-N 2 2 292.386 3.194 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000019960238 368790267 /nfs/dbraw/zinc/79/02/67/368790267.db2.gz ILJPXGRWYZARSA-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000019960238 368790273 /nfs/dbraw/zinc/79/02/73/368790273.db2.gz ILJPXGRWYZARSA-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP c1ccc([C@@H](C[NH2+]C2CCSCC2)[NH+]2CCCC2)cc1 ZINC000035120896 368997268 /nfs/dbraw/zinc/99/72/68/368997268.db2.gz QUWJIMQFJBXEPV-QGZVFWFLSA-N 2 2 290.476 3.309 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000037157894 369073270 /nfs/dbraw/zinc/07/32/70/369073270.db2.gz UXNWIHNBVNSFQW-CABCVRRESA-N 2 2 257.381 3.239 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156882 369073300 /nfs/dbraw/zinc/07/33/00/369073300.db2.gz UUAPBWVFMHHTOJ-AWEZNQCLSA-N 2 2 251.418 3.322 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000037248618 369079207 /nfs/dbraw/zinc/07/92/07/369079207.db2.gz QSKKOPCUQDFZIK-UHFFFAOYSA-N 2 2 273.207 3.177 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000037021652 369052946 /nfs/dbraw/zinc/05/29/46/369052946.db2.gz CPTITGJUJYPYDM-RHSMWYFYSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000037021652 369052948 /nfs/dbraw/zinc/05/29/48/369052948.db2.gz CPTITGJUJYPYDM-RHSMWYFYSA-N 2 2 260.425 3.384 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccccc1OC ZINC000040502766 369158445 /nfs/dbraw/zinc/15/84/45/369158445.db2.gz SSPDSVHCRBHIKB-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccccc1OC ZINC000040502766 369158446 /nfs/dbraw/zinc/15/84/46/369158446.db2.gz SSPDSVHCRBHIKB-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000040771611 369162544 /nfs/dbraw/zinc/16/25/44/369162544.db2.gz ZCQJQUJBFMMFSZ-GOSISDBHSA-N 2 2 272.436 3.386 20 0 CGADLP Cn1cc[nH+]c1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000041474827 369187132 /nfs/dbraw/zinc/18/71/32/369187132.db2.gz RQKNNMWHMXBCSD-UHFFFAOYSA-N 2 2 272.739 3.234 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000042254525 369208540 /nfs/dbraw/zinc/20/85/40/369208540.db2.gz KOWYYSFVKCOWJM-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CC(C)(C)COC)[NH+](C)C)cc1 ZINC000494357312 244283746 /nfs/dbraw/zinc/28/37/46/244283746.db2.gz IWNZSJVOXZOMJN-KRWDZBQOSA-N 2 2 292.467 3.114 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)CC1CCCCC1 ZINC000494390676 244285011 /nfs/dbraw/zinc/28/50/11/244285011.db2.gz HBCMAFXOQMNPRL-ZBFHGGJFSA-N 2 2 275.440 3.394 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000045662811 369283874 /nfs/dbraw/zinc/28/38/74/369283874.db2.gz JAKZIDXAEGAHTE-QGZVFWFLSA-N 2 2 276.424 3.004 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000495091126 244355578 /nfs/dbraw/zinc/35/55/78/244355578.db2.gz RFJGCYUKNPKOMN-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000495091126 244355581 /nfs/dbraw/zinc/35/55/81/244355581.db2.gz RFJGCYUKNPKOMN-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000495091126 244355586 /nfs/dbraw/zinc/35/55/86/244355586.db2.gz RFJGCYUKNPKOMN-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000495091126 244355590 /nfs/dbraw/zinc/35/55/90/244355590.db2.gz RFJGCYUKNPKOMN-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000049568524 369410300 /nfs/dbraw/zinc/41/03/00/369410300.db2.gz SEIYYTTYHPIEEI-LLVKDONJSA-N 2 2 297.240 3.194 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254679 369623386 /nfs/dbraw/zinc/62/33/86/369623386.db2.gz QYQNWYDOGYQMDD-CYBMUJFWSA-N 2 2 275.421 3.031 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000066970528 369709190 /nfs/dbraw/zinc/70/91/90/369709190.db2.gz PJKHYCUQTHYQBP-UHFFFAOYSA-N 2 2 278.827 3.304 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000070148760 369782347 /nfs/dbraw/zinc/78/23/47/369782347.db2.gz WVPYXJFKONOZJC-CQSZACIVSA-N 2 2 297.240 3.152 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000070148760 369782354 /nfs/dbraw/zinc/78/23/54/369782354.db2.gz WVPYXJFKONOZJC-CQSZACIVSA-N 2 2 297.240 3.152 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000070272764 369794829 /nfs/dbraw/zinc/79/48/29/369794829.db2.gz XCSANMWEDNTNBF-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000085129619 370016743 /nfs/dbraw/zinc/01/67/43/370016743.db2.gz YZCFJYJMMDQNOA-CHWSQXEVSA-N 2 2 278.362 3.183 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320352 370060455 /nfs/dbraw/zinc/06/04/55/370060455.db2.gz OTKPOQLHMUBZQH-MXWKQRLJSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320352 370060458 /nfs/dbraw/zinc/06/04/58/370060458.db2.gz OTKPOQLHMUBZQH-MXWKQRLJSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000090721868 370066342 /nfs/dbraw/zinc/06/63/42/370066342.db2.gz VXXUTXZUCSZDFK-MNOVXSKESA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000090721868 370066346 /nfs/dbraw/zinc/06/63/46/370066346.db2.gz VXXUTXZUCSZDFK-MNOVXSKESA-N 2 2 270.779 3.051 20 0 CGADLP C1=CC[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000092218706 370094994 /nfs/dbraw/zinc/09/49/94/370094994.db2.gz LDUMKQPUNVZPDX-IRXDYDNUSA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000092218706 370094998 /nfs/dbraw/zinc/09/49/98/370094998.db2.gz LDUMKQPUNVZPDX-IRXDYDNUSA-N 2 2 262.441 3.293 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nccs1 ZINC000093516623 370139287 /nfs/dbraw/zinc/13/92/87/370139287.db2.gz CTWPXZXECYZTNU-AGIUHOORSA-N 2 2 267.442 3.105 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597682 370144548 /nfs/dbraw/zinc/14/45/48/370144548.db2.gz IUPNONDFRPRXNZ-INMHGKMJSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597682 370144553 /nfs/dbraw/zinc/14/45/53/370144553.db2.gz IUPNONDFRPRXNZ-INMHGKMJSA-N 2 2 288.435 3.321 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638714 370150702 /nfs/dbraw/zinc/15/07/02/370150702.db2.gz XHBOGLSQEMAWTM-HIFRSBDPSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638714 370150706 /nfs/dbraw/zinc/15/07/06/370150706.db2.gz XHBOGLSQEMAWTM-HIFRSBDPSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638714 370150709 /nfs/dbraw/zinc/15/07/09/370150709.db2.gz XHBOGLSQEMAWTM-HIFRSBDPSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638714 370150711 /nfs/dbraw/zinc/15/07/11/370150711.db2.gz XHBOGLSQEMAWTM-HIFRSBDPSA-N 2 2 295.496 3.429 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000093741911 370156564 /nfs/dbraw/zinc/15/65/64/370156564.db2.gz CJGIFQOWEUWAAG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000093741911 370156566 /nfs/dbraw/zinc/15/65/66/370156566.db2.gz CJGIFQOWEUWAAG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093741911 370156569 /nfs/dbraw/zinc/15/65/69/370156569.db2.gz CJGIFQOWEUWAAG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093741911 370156572 /nfs/dbraw/zinc/15/65/72/370156572.db2.gz CJGIFQOWEUWAAG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1cccs1 ZINC000110113632 370370480 /nfs/dbraw/zinc/37/04/80/370370480.db2.gz GIAAVXDIYPJTHH-GFCCVEGCSA-N 2 2 288.420 3.130 20 0 CGADLP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000112076222 370409489 /nfs/dbraw/zinc/40/94/89/370409489.db2.gz RGDJRPCNEYQUPA-UHFFFAOYSA-N 2 2 296.418 3.418 20 0 CGADLP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000112076222 370409496 /nfs/dbraw/zinc/40/94/96/370409496.db2.gz RGDJRPCNEYQUPA-UHFFFAOYSA-N 2 2 296.418 3.418 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423283366 296159434 /nfs/dbraw/zinc/15/94/34/296159434.db2.gz VVKKLLJACQPBCE-HZGVNTEJSA-N 2 2 279.236 3.443 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000113513900 370476426 /nfs/dbraw/zinc/47/64/26/370476426.db2.gz WNLSJNCHWBBBFB-LBPRGKRZSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000113513900 370476432 /nfs/dbraw/zinc/47/64/32/370476432.db2.gz WNLSJNCHWBBBFB-LBPRGKRZSA-N 2 2 287.234 3.377 20 0 CGADLP CCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000117340876 370587712 /nfs/dbraw/zinc/58/77/12/370587712.db2.gz XLOPJIZTCHLVDY-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000130168011 371015290 /nfs/dbraw/zinc/01/52/90/371015290.db2.gz UWJSGDXQVAJXBA-HNNXBMFYSA-N 2 2 257.381 3.241 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2F)c2ccccc21 ZINC000131901556 371138810 /nfs/dbraw/zinc/13/88/10/371138810.db2.gz PSKUTSRDQWLSRM-HOTGVXAUSA-N 2 2 256.324 3.060 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)c2ccccc21 ZINC000131956335 371141405 /nfs/dbraw/zinc/14/14/05/371141405.db2.gz LXSDVUVWOSWOJJ-CVEARBPZSA-N 2 2 256.324 3.060 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000134779838 371364238 /nfs/dbraw/zinc/36/42/38/371364238.db2.gz SUUOAAJGPLBFIC-UHFFFAOYSA-N 2 2 296.842 3.314 20 0 CGADLP CSC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135487064 371431845 /nfs/dbraw/zinc/43/18/45/371431845.db2.gz YFENBXXYWCLUKO-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP CSC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135487064 371431847 /nfs/dbraw/zinc/43/18/47/371431847.db2.gz YFENBXXYWCLUKO-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(C)ccc1OC ZINC000537885577 376207031 /nfs/dbraw/zinc/20/70/31/376207031.db2.gz KQWGZOFWHZDONA-WBVHZDCISA-N 2 2 290.451 3.386 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(C)ccc1OC ZINC000537885577 376207038 /nfs/dbraw/zinc/20/70/38/376207038.db2.gz KQWGZOFWHZDONA-WBVHZDCISA-N 2 2 290.451 3.386 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151141619 371575922 /nfs/dbraw/zinc/57/59/22/371575922.db2.gz IXAOFVTVAVYVCT-CABCVRRESA-N 2 2 287.407 3.064 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C(C)C)c(F)c1 ZINC000421814653 371638711 /nfs/dbraw/zinc/63/87/11/371638711.db2.gz KCVNHUNMDCUQMQ-QGZVFWFLSA-N 2 2 294.414 3.217 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccncc1 ZINC000287354149 371643815 /nfs/dbraw/zinc/64/38/15/371643815.db2.gz NRHOPNYCNSORMD-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccncc1 ZINC000287354149 371643819 /nfs/dbraw/zinc/64/38/19/371643819.db2.gz NRHOPNYCNSORMD-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000421821863 371644294 /nfs/dbraw/zinc/64/42/94/371644294.db2.gz UMQOQJAENZHTKR-RYUDHWBXSA-N 2 2 295.789 3.285 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cc2c1C ZINC000422720257 371768111 /nfs/dbraw/zinc/76/81/11/371768111.db2.gz MKFHBNUWJJPBBT-RHSMWYFYSA-N 2 2 285.435 3.405 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793424 371789425 /nfs/dbraw/zinc/78/94/25/371789425.db2.gz SHRWLTFMVCVRIC-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793424 371789438 /nfs/dbraw/zinc/78/94/38/371789438.db2.gz SHRWLTFMVCVRIC-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP COC[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000153856848 371794198 /nfs/dbraw/zinc/79/41/98/371794198.db2.gz UVGQXUMEOHUPKK-JKSUJKDBSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422770969 371795042 /nfs/dbraw/zinc/79/50/42/371795042.db2.gz QXLMMPJGZRJHEJ-BEFAXECRSA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@H](C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422779428 371800280 /nfs/dbraw/zinc/80/02/80/371800280.db2.gz IRZVBDAAKGNHCR-NILFDRSVSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1cc(F)cc2c1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000337379737 214040599 /nfs/dbraw/zinc/04/05/99/214040599.db2.gz AFVGXYMTXULMDP-UHFFFAOYSA-N 2 2 295.361 3.340 20 0 CGADLP Cc1cc(F)cc2c1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000337379737 214040602 /nfs/dbraw/zinc/04/06/02/214040602.db2.gz AFVGXYMTXULMDP-UHFFFAOYSA-N 2 2 295.361 3.340 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814810 371827506 /nfs/dbraw/zinc/82/75/06/371827506.db2.gz AGNLVZQJGMQULQ-DZKIICNBSA-N 2 2 294.414 3.103 20 0 CGADLP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863953 371844702 /nfs/dbraw/zinc/84/47/02/371844702.db2.gz MEFJLRVUHJTXFV-GOEBONIOSA-N 2 2 285.391 3.034 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948746 371887106 /nfs/dbraw/zinc/88/71/06/371887106.db2.gz SUSOYUJGQRBJJQ-KBXCAEBGSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422871170 371847185 /nfs/dbraw/zinc/84/71/85/371847185.db2.gz CPPOTMPERYVMHM-KGLIPLIRSA-N 2 2 298.377 3.346 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cc1 ZINC000422876694 371849686 /nfs/dbraw/zinc/84/96/86/371849686.db2.gz GHQDGUYPDZISDQ-HOCLYGCPSA-N 2 2 282.387 3.491 20 0 CGADLP COc1ccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422943625 371883480 /nfs/dbraw/zinc/88/34/80/371883480.db2.gz YOHFWFRSIDGBGN-QZTJIDSGSA-N 2 2 294.398 3.419 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344082543 217042970 /nfs/dbraw/zinc/04/29/70/217042970.db2.gz ZGESVEAJAUKWEO-GOSISDBHSA-N 2 2 290.451 3.086 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344082543 217042972 /nfs/dbraw/zinc/04/29/72/217042972.db2.gz ZGESVEAJAUKWEO-GOSISDBHSA-N 2 2 290.451 3.086 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423060491 371939851 /nfs/dbraw/zinc/93/98/51/371939851.db2.gz OPGGGWLBKBLXGJ-BBRMVZONSA-N 2 2 278.465 3.170 20 0 CGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423066984 371943337 /nfs/dbraw/zinc/94/33/37/371943337.db2.gz YKSXHFLNRWNOGW-HOTGVXAUSA-N 2 2 286.350 3.069 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423066796 371943472 /nfs/dbraw/zinc/94/34/72/371943472.db2.gz XYRUOTFSFWSULY-NZPGVSJUSA-N 2 2 288.435 3.267 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156085807 371960469 /nfs/dbraw/zinc/96/04/69/371960469.db2.gz KWLBIFDDLGNLOF-FZMZJTMJSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156085807 371960477 /nfs/dbraw/zinc/96/04/77/371960477.db2.gz KWLBIFDDLGNLOF-FZMZJTMJSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156385366 371976727 /nfs/dbraw/zinc/97/67/27/371976727.db2.gz HTBOPECNEDLPHQ-ZFWWWQNUSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156385366 371976735 /nfs/dbraw/zinc/97/67/35/371976735.db2.gz HTBOPECNEDLPHQ-ZFWWWQNUSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344135339 217067349 /nfs/dbraw/zinc/06/73/49/217067349.db2.gz GBVDQGOEGVCSER-ZDUSSCGKSA-N 2 2 298.415 3.050 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000156581062 371986137 /nfs/dbraw/zinc/98/61/37/371986137.db2.gz XUURTPFVDZLVNZ-HLLBOEOZSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000156581062 371986146 /nfs/dbraw/zinc/98/61/46/371986146.db2.gz XUURTPFVDZLVNZ-HLLBOEOZSA-N 2 2 290.451 3.261 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000290418946 371986390 /nfs/dbraw/zinc/98/63/90/371986390.db2.gz QTNNYTTUGSDAHJ-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nccs1 ZINC000423168979 372000046 /nfs/dbraw/zinc/00/00/46/372000046.db2.gz IHXQSSLOZORVSR-AEGPPILISA-N 2 2 287.432 3.287 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Cl ZINC000290568553 372018159 /nfs/dbraw/zinc/01/81/59/372018159.db2.gz SYGAGHFTVBQKSH-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Cl ZINC000290568553 372018168 /nfs/dbraw/zinc/01/81/68/372018168.db2.gz SYGAGHFTVBQKSH-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1sccc1Cl ZINC000290568553 372018173 /nfs/dbraw/zinc/01/81/73/372018173.db2.gz SYGAGHFTVBQKSH-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1sccc1Cl ZINC000290568553 372018181 /nfs/dbraw/zinc/01/81/81/372018181.db2.gz SYGAGHFTVBQKSH-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423195431 372019742 /nfs/dbraw/zinc/01/97/42/372019742.db2.gz SMMZSHYYLMJPPQ-GWCFXTLKSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423196696 372021737 /nfs/dbraw/zinc/02/17/37/372021737.db2.gz VYGABDSUNWFONS-AAEUAGOBSA-N 2 2 264.438 3.030 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423210213 372031843 /nfs/dbraw/zinc/03/18/43/372031843.db2.gz WJLDKCKRQFYZFM-PWSUYJOCSA-N 2 2 286.391 3.056 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402633 372060947 /nfs/dbraw/zinc/06/09/47/372060947.db2.gz RLPMHDVKAXLOHJ-YVEFUNNKSA-N 2 2 254.377 3.228 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423218623 372037622 /nfs/dbraw/zinc/03/76/22/372037622.db2.gz SCXUDRRZPCXWLQ-ACJLOTCBSA-N 2 2 281.403 3.025 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423239082 372042237 /nfs/dbraw/zinc/04/22/37/372042237.db2.gz RUBKGYHIKBDLPC-YOEHRIQHSA-N 2 2 276.399 3.399 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423246193 372042285 /nfs/dbraw/zinc/04/22/85/372042285.db2.gz MYYCBJDTBXRTHG-CYBMUJFWSA-N 2 2 273.207 3.180 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccsc2S1 ZINC000423310986 372049835 /nfs/dbraw/zinc/04/98/35/372049835.db2.gz BBXAWIYGYPOSIA-XXILOJSOSA-N 2 2 268.451 3.000 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313690 372051289 /nfs/dbraw/zinc/05/12/89/372051289.db2.gz GBCDXLPFINTENH-ABAIWWIYSA-N 2 2 272.392 3.383 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000423316585 372051304 /nfs/dbraw/zinc/05/13/04/372051304.db2.gz AEJPUVHKNRFQLY-GOSISDBHSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cnn1C(C)C ZINC000423385273 372057638 /nfs/dbraw/zinc/05/76/38/372057638.db2.gz KKAHBEMRZUQVHM-XJKSGUPXSA-N 2 2 292.471 3.201 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)oc1C ZINC000423175145 372004878 /nfs/dbraw/zinc/00/48/78/372004878.db2.gz DFDUGHIDZLDHDZ-GFCCVEGCSA-N 2 2 250.386 3.209 20 0 CGADLP c1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423177944 372006338 /nfs/dbraw/zinc/00/63/38/372006338.db2.gz BJDIPRJWQHMMFZ-IRXDYDNUSA-N 2 2 258.409 3.260 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc(F)c1F ZINC000290519970 372006856 /nfs/dbraw/zinc/00/68/56/372006856.db2.gz XNXYNXRQZNKJIT-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178011 372007661 /nfs/dbraw/zinc/00/76/61/372007661.db2.gz BLFWWFITFHEHNA-ABAIWWIYSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2c(F)cccc2F)cc1 ZINC000423178872 372009158 /nfs/dbraw/zinc/00/91/58/372009158.db2.gz GUPGCEXMUXYXPW-NSHDSACASA-N 2 2 276.330 3.241 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423185420 372013059 /nfs/dbraw/zinc/01/30/59/372013059.db2.gz JHWWXVISHRDFKA-HUUCEWRRSA-N 2 2 298.352 3.498 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)ccc1F ZINC000423184458 372013773 /nfs/dbraw/zinc/01/37/73/372013773.db2.gz TWWMKJSWGJLVDS-NSHDSACASA-N 2 2 268.351 3.277 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000423188601 372014409 /nfs/dbraw/zinc/01/44/09/372014409.db2.gz LSDVENSIVQZKET-QWHCGFSZSA-N 2 2 252.427 3.177 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377512 372085749 /nfs/dbraw/zinc/08/57/49/372085749.db2.gz RHRMIZPORNKEOD-NWANDNLSSA-N 2 2 262.397 3.006 20 0 CGADLP COC(C)(C)C[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344218069 217102201 /nfs/dbraw/zinc/10/22/01/217102201.db2.gz JESNKJFDQAZKIE-LBPRGKRZSA-N 2 2 293.436 3.227 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672391 541868545 /nfs/dbraw/zinc/86/85/45/541868545.db2.gz PNAFOJOYPQXNKH-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672391 541868549 /nfs/dbraw/zinc/86/85/49/541868549.db2.gz PNAFOJOYPQXNKH-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672585 541869675 /nfs/dbraw/zinc/86/96/75/541869675.db2.gz GIWQSMIXPROXAO-KSSFIOAISA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672585 541869680 /nfs/dbraw/zinc/86/96/80/541869680.db2.gz GIWQSMIXPROXAO-KSSFIOAISA-N 2 2 272.436 3.310 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000292859071 372229504 /nfs/dbraw/zinc/22/95/04/372229504.db2.gz AOLOGIHCAPCVSH-RDJZCZTQSA-N 2 2 277.371 3.228 20 0 CGADLP C[C@H]([NH2+]CCC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000293049845 372289507 /nfs/dbraw/zinc/28/95/07/372289507.db2.gz YAAWUTQMBQLLDL-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672965 541870903 /nfs/dbraw/zinc/87/09/03/541870903.db2.gz CZLYRYRGWQAXMM-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672965 541870907 /nfs/dbraw/zinc/87/09/07/541870907.db2.gz CZLYRYRGWQAXMM-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428852166 372269627 /nfs/dbraw/zinc/26/96/27/372269627.db2.gz UZIJJNCTRYHYAE-UHFFFAOYSA-N 2 2 292.370 3.341 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]2CCC[C@H]21 ZINC000292991735 372271202 /nfs/dbraw/zinc/27/12/02/372271202.db2.gz IGCVMWKSTKEKHY-HZPDHXFCSA-N 2 2 296.418 3.278 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]2CCC[C@H]21 ZINC000292991735 372271210 /nfs/dbraw/zinc/27/12/10/372271210.db2.gz IGCVMWKSTKEKHY-HZPDHXFCSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@@H+]1C ZINC000344327164 217151992 /nfs/dbraw/zinc/15/19/92/217151992.db2.gz JQXHXNXTUMZVOK-QAPCUYQASA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@H+]1C ZINC000344327164 217151993 /nfs/dbraw/zinc/15/19/93/217151993.db2.gz JQXHXNXTUMZVOK-QAPCUYQASA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344331943 217155310 /nfs/dbraw/zinc/15/53/10/217155310.db2.gz YFBHKIRWXSRIJO-PBHICJAKSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344331943 217155314 /nfs/dbraw/zinc/15/53/14/217155314.db2.gz YFBHKIRWXSRIJO-PBHICJAKSA-N 2 2 276.424 3.046 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000162619608 372407448 /nfs/dbraw/zinc/40/74/48/372407448.db2.gz ZHHISEMWMWSDTF-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000162619608 372407454 /nfs/dbraw/zinc/40/74/54/372407454.db2.gz ZHHISEMWMWSDTF-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000163345225 372461907 /nfs/dbraw/zinc/46/19/07/372461907.db2.gz HVOADZHGFBOMAJ-FUHWJXTLSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000163345225 372461909 /nfs/dbraw/zinc/46/19/09/372461909.db2.gz HVOADZHGFBOMAJ-FUHWJXTLSA-N 2 2 290.451 3.065 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCCC3CC3)C2)cc1 ZINC000163351343 372463410 /nfs/dbraw/zinc/46/34/10/372463410.db2.gz OZZNEKWEIQLEJH-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCCC3CC3)C2)cc1 ZINC000163351343 372463414 /nfs/dbraw/zinc/46/34/14/372463414.db2.gz OZZNEKWEIQLEJH-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP Cc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000164847658 372535892 /nfs/dbraw/zinc/53/58/92/372535892.db2.gz BXDLNXPAMILWNR-OWCLPIDISA-N 2 2 259.397 3.113 20 0 CGADLP CC[C@H](CSC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000163857652 372494242 /nfs/dbraw/zinc/49/42/42/372494242.db2.gz URCMSEAJIWWUHR-CQSZACIVSA-N 2 2 275.421 3.104 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(OC(C)(C)C)c1 ZINC000165899196 372558614 /nfs/dbraw/zinc/55/86/14/372558614.db2.gz HREAMXCUUKMCGA-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000294267687 372632834 /nfs/dbraw/zinc/63/28/34/372632834.db2.gz RKIBXEDYNCIUIU-NWANDNLSSA-N 2 2 264.438 3.334 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cs1 ZINC000294267687 372632839 /nfs/dbraw/zinc/63/28/39/372632839.db2.gz RKIBXEDYNCIUIU-NWANDNLSSA-N 2 2 264.438 3.334 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000353384038 220056848 /nfs/dbraw/zinc/05/68/48/220056848.db2.gz RPSNVLWTCFLSAL-UHFFFAOYSA-N 3 2 289.467 3.127 20 0 CGADLP Cc1ccc(CCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000353384038 220056851 /nfs/dbraw/zinc/05/68/51/220056851.db2.gz RPSNVLWTCFLSAL-UHFFFAOYSA-N 3 2 289.467 3.127 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000170986665 372695127 /nfs/dbraw/zinc/69/51/27/372695127.db2.gz FQSSNNSUWRZIKF-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@H+](Cc1ncc(C(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435379111 372753825 /nfs/dbraw/zinc/75/38/25/372753825.db2.gz HRQARPOVOLKUIM-ZDUSSCGKSA-N 2 2 281.469 3.231 20 0 CGADLP CC[N@@H+](Cc1ncc(C(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435379111 372753830 /nfs/dbraw/zinc/75/38/30/372753830.db2.gz HRQARPOVOLKUIM-ZDUSSCGKSA-N 2 2 281.469 3.231 20 0 CGADLP CC[N@H+](Cc1csc(C(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435380978 372755942 /nfs/dbraw/zinc/75/59/42/372755942.db2.gz QYAPXZOXAAHLJU-AWEZNQCLSA-N 2 2 281.469 3.231 20 0 CGADLP CC[N@@H+](Cc1csc(C(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435380978 372755948 /nfs/dbraw/zinc/75/59/48/372755948.db2.gz QYAPXZOXAAHLJU-AWEZNQCLSA-N 2 2 281.469 3.231 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435391247 372759255 /nfs/dbraw/zinc/75/92/55/372759255.db2.gz RYEUGGAVJGMHTN-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435391247 372759257 /nfs/dbraw/zinc/75/92/57/372759257.db2.gz RYEUGGAVJGMHTN-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP C[N@H+](Cc1csc(C2CCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435620641 372786595 /nfs/dbraw/zinc/78/65/95/372786595.db2.gz DVJULHQVYWPSPP-HNNXBMFYSA-N 2 2 293.480 3.375 20 0 CGADLP C[N@@H+](Cc1csc(C2CCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435620641 372786600 /nfs/dbraw/zinc/78/66/00/372786600.db2.gz DVJULHQVYWPSPP-HNNXBMFYSA-N 2 2 293.480 3.375 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccoc1 ZINC000353435030 220080505 /nfs/dbraw/zinc/08/05/05/220080505.db2.gz LLBDJPAOBFUMFI-INIZCTEOSA-N 2 2 264.413 3.442 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000438081889 372872274 /nfs/dbraw/zinc/87/22/74/372872274.db2.gz PVTJCFFWLUEMRH-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000438081889 372872281 /nfs/dbraw/zinc/87/22/81/372872281.db2.gz PVTJCFFWLUEMRH-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000344719338 217287500 /nfs/dbraw/zinc/28/75/00/217287500.db2.gz VUTSDKYBUKZJSP-KBAYOESNSA-N 2 2 290.451 3.083 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000344719338 217287503 /nfs/dbraw/zinc/28/75/03/217287503.db2.gz VUTSDKYBUKZJSP-KBAYOESNSA-N 2 2 290.451 3.083 20 0 CGADLP Cc1cccn2c(C[NH2+]CC(C)(C)C(C)C)c[nH+]c12 ZINC000438362594 372942143 /nfs/dbraw/zinc/94/21/43/372942143.db2.gz DQFGRBRQIAKVCJ-UHFFFAOYSA-N 2 2 259.397 3.415 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000295936111 372964370 /nfs/dbraw/zinc/96/43/70/372964370.db2.gz KOJGDVDIRBQDBJ-ZDUSSCGKSA-N 2 2 297.406 3.063 20 0 CGADLP Fc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875303 373206732 /nfs/dbraw/zinc/20/67/32/373206732.db2.gz XIFNPHRTKOZMAX-OAHLLOKOSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875303 373206740 /nfs/dbraw/zinc/20/67/40/373206740.db2.gz XIFNPHRTKOZMAX-OAHLLOKOSA-N 2 2 276.399 3.134 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000173887865 373208620 /nfs/dbraw/zinc/20/86/20/373208620.db2.gz IUBNICAZMBOPKD-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000173887865 373208625 /nfs/dbraw/zinc/20/86/25/373208625.db2.gz IUBNICAZMBOPKD-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000173887865 373208629 /nfs/dbraw/zinc/20/86/29/373208629.db2.gz IUBNICAZMBOPKD-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000173887865 373208636 /nfs/dbraw/zinc/20/86/36/373208636.db2.gz IUBNICAZMBOPKD-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000297626764 373276117 /nfs/dbraw/zinc/27/61/17/373276117.db2.gz HMSHXVMLSIFQMP-SFHVURJKSA-N 2 2 283.419 3.362 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC000297626764 373276121 /nfs/dbraw/zinc/27/61/21/373276121.db2.gz HMSHXVMLSIFQMP-SFHVURJKSA-N 2 2 283.419 3.362 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000298543499 373353255 /nfs/dbraw/zinc/35/32/55/373353255.db2.gz TWQAXMFNURNAEG-QGZVFWFLSA-N 2 2 287.451 3.304 20 0 CGADLP COC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836033 373369566 /nfs/dbraw/zinc/36/95/66/373369566.db2.gz OENQMFTWUAPOHY-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836033 373369575 /nfs/dbraw/zinc/36/95/75/373369575.db2.gz OENQMFTWUAPOHY-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CS1 ZINC000446843497 373370912 /nfs/dbraw/zinc/37/09/12/373370912.db2.gz NVOWBVFWRMBCJI-HUUCEWRRSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CS1 ZINC000446843497 373370926 /nfs/dbraw/zinc/37/09/26/373370926.db2.gz NVOWBVFWRMBCJI-HUUCEWRRSA-N 2 2 284.513 3.228 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000447902490 373522320 /nfs/dbraw/zinc/52/23/20/373522320.db2.gz JZPAMLHBNXXSAR-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000447902490 373522326 /nfs/dbraw/zinc/52/23/26/373522326.db2.gz JZPAMLHBNXXSAR-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000353637155 220212389 /nfs/dbraw/zinc/21/23/89/220212389.db2.gz KKDUGDHALGKSKS-UHFFFAOYSA-N 2 2 293.798 3.121 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301087681 373655074 /nfs/dbraw/zinc/65/50/74/373655074.db2.gz NHRCGMNMLCRRNB-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301087681 373655081 /nfs/dbraw/zinc/65/50/81/373655081.db2.gz NHRCGMNMLCRRNB-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081754 373661598 /nfs/dbraw/zinc/66/15/98/373661598.db2.gz HQWCSBKJKUFWCA-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081754 373661600 /nfs/dbraw/zinc/66/16/00/373661600.db2.gz HQWCSBKJKUFWCA-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2O1 ZINC000449422814 373694526 /nfs/dbraw/zinc/69/45/26/373694526.db2.gz FTULINICNJZSMC-CZUORRHYSA-N 2 2 293.370 3.336 20 0 CGADLP CO[C@@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000449483740 373773692 /nfs/dbraw/zinc/77/36/92/373773692.db2.gz KDEMIWISZSNGSL-IBGZPJMESA-N 2 2 298.430 3.474 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCc2ncccc2C)c[nH+]1 ZINC000449484294 373774437 /nfs/dbraw/zinc/77/44/37/373774437.db2.gz GAPSWDMEYZZEEY-UHFFFAOYSA-N 2 2 283.419 3.248 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCC2CCOCC2)c[nH+]1 ZINC000353664825 220238209 /nfs/dbraw/zinc/23/82/09/220238209.db2.gz YVGFZPOHOXEGEO-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCC2CCOCC2)c[nH+]1 ZINC000353664825 220238214 /nfs/dbraw/zinc/23/82/14/220238214.db2.gz YVGFZPOHOXEGEO-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c[nH+]1 ZINC000449513378 373814855 /nfs/dbraw/zinc/81/48/55/373814855.db2.gz SGNKZLFMEQOQTO-QZTJIDSGSA-N 2 2 292.467 3.201 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2o1 ZINC000178545221 373790823 /nfs/dbraw/zinc/79/08/23/373790823.db2.gz APUWINLUHGHSBK-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2o1 ZINC000178545221 373790829 /nfs/dbraw/zinc/79/08/29/373790829.db2.gz APUWINLUHGHSBK-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2o1 ZINC000178545221 373790834 /nfs/dbraw/zinc/79/08/34/373790834.db2.gz APUWINLUHGHSBK-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2o1 ZINC000178545221 373790839 /nfs/dbraw/zinc/79/08/39/373790839.db2.gz APUWINLUHGHSBK-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP Cc1cc(N2CCC([NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000301670338 373797222 /nfs/dbraw/zinc/79/72/22/373797222.db2.gz NROHWGSGDCBDGU-UHFFFAOYSA-N 2 2 287.382 3.213 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC3(F)F)c[nH+]c12 ZINC000449500963 373798759 /nfs/dbraw/zinc/79/87/59/373798759.db2.gz VLPSYUHNHDPKFJ-LBPRGKRZSA-N 2 2 279.334 3.168 20 0 CGADLP CCO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000449503247 373800622 /nfs/dbraw/zinc/80/06/22/373800622.db2.gz PJMDVQYJTMCJGO-YOEHRIQHSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000449503247 373800626 /nfs/dbraw/zinc/80/06/26/373800626.db2.gz PJMDVQYJTMCJGO-YOEHRIQHSA-N 2 2 276.424 3.070 20 0 CGADLP COc1cccc2c(NCC[NH+]3CCCCC3)cc[nH+]c12 ZINC000302489438 373878933 /nfs/dbraw/zinc/87/89/33/373878933.db2.gz YTLLVJCZKNMHTQ-UHFFFAOYSA-N 2 2 285.391 3.141 20 0 CGADLP CC1CCC([N@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000179602692 373892686 /nfs/dbraw/zinc/89/26/86/373892686.db2.gz FEWPVLWISCHPKP-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP CC1CCC([N@@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000179602692 373892690 /nfs/dbraw/zinc/89/26/90/373892690.db2.gz FEWPVLWISCHPKP-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP Fc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)c(F)c1 ZINC000179674076 373903931 /nfs/dbraw/zinc/90/39/31/373903931.db2.gz CYJWWQPNXDNSHA-UHFFFAOYSA-N 2 2 291.345 3.220 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)C3CCCC3)c[nH+]c12 ZINC000449705109 373849192 /nfs/dbraw/zinc/84/91/92/373849192.db2.gz JDRXWCDCYUCSDT-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP C[C@@H](C[NH+]1CCCCCC1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302376847 373858068 /nfs/dbraw/zinc/85/80/68/373858068.db2.gz HKEMGAVUKCZEOA-ZDUSSCGKSA-N 2 2 272.396 3.239 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180192577 373976096 /nfs/dbraw/zinc/97/60/96/373976096.db2.gz PSKXAWHPZANXNO-AWEZNQCLSA-N 2 2 295.386 3.103 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180192577 373976101 /nfs/dbraw/zinc/97/61/01/373976101.db2.gz PSKXAWHPZANXNO-AWEZNQCLSA-N 2 2 295.386 3.103 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000180832004 374050385 /nfs/dbraw/zinc/05/03/85/374050385.db2.gz REPICFOREZOALR-GFCCVEGCSA-N 2 2 277.799 3.271 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000450343842 374070304 /nfs/dbraw/zinc/07/03/04/374070304.db2.gz ZQHBSHCZFFCEEM-HNNXBMFYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000450343842 374070311 /nfs/dbraw/zinc/07/03/11/374070311.db2.gz ZQHBSHCZFFCEEM-HNNXBMFYSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1cncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000181835420 374179143 /nfs/dbraw/zinc/17/91/43/374179143.db2.gz AKLMJZJOUSAXPY-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000309681603 374192547 /nfs/dbraw/zinc/19/25/47/374192547.db2.gz ZVLNROUFMBLWEP-SJORKVTESA-N 2 2 272.436 3.453 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000309681603 374192549 /nfs/dbraw/zinc/19/25/49/374192549.db2.gz ZVLNROUFMBLWEP-SJORKVTESA-N 2 2 272.436 3.453 20 0 CGADLP CCCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1OC ZINC000451655631 374205840 /nfs/dbraw/zinc/20/58/40/374205840.db2.gz YREUZLFWCZVYGN-IAGOWNOFSA-N 2 2 293.455 3.333 20 0 CGADLP CCCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1OC ZINC000451655631 374205847 /nfs/dbraw/zinc/20/58/47/374205847.db2.gz YREUZLFWCZVYGN-IAGOWNOFSA-N 2 2 293.455 3.333 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069173 374213353 /nfs/dbraw/zinc/21/33/53/374213353.db2.gz MTNSNHPDHMYQLC-UXLLHSPISA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069173 374213356 /nfs/dbraw/zinc/21/33/56/374213356.db2.gz MTNSNHPDHMYQLC-UXLLHSPISA-N 2 2 272.436 3.080 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309726643 374191855 /nfs/dbraw/zinc/19/18/55/374191855.db2.gz NTQHUZCGSRVHCP-WTTBNOFXSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309726643 374191859 /nfs/dbraw/zinc/19/18/59/374191859.db2.gz NTQHUZCGSRVHCP-WTTBNOFXSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000311425938 374241715 /nfs/dbraw/zinc/24/17/15/374241715.db2.gz LSUHEWOYSRXQRW-XNJGSVPQSA-N 2 2 256.393 3.061 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000311425938 374241720 /nfs/dbraw/zinc/24/17/20/374241720.db2.gz LSUHEWOYSRXQRW-XNJGSVPQSA-N 2 2 256.393 3.061 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](C)Nc1[nH+]ccc2ccccc21 ZINC000311439709 374243666 /nfs/dbraw/zinc/24/36/66/374243666.db2.gz PADROGQZWQGVBZ-ZDUSSCGKSA-N 2 2 257.381 3.375 20 0 CGADLP CC(C)[N@H+](C)C[C@H](C)Nc1[nH+]ccc2ccccc21 ZINC000311439709 374243672 /nfs/dbraw/zinc/24/36/72/374243672.db2.gz PADROGQZWQGVBZ-ZDUSSCGKSA-N 2 2 257.381 3.375 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000182259514 374248677 /nfs/dbraw/zinc/24/86/77/374248677.db2.gz JFGWJCNTMLEGCY-IUODEOHRSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000182259514 374248686 /nfs/dbraw/zinc/24/86/86/374248686.db2.gz JFGWJCNTMLEGCY-IUODEOHRSA-N 2 2 278.827 3.401 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000313249815 374300649 /nfs/dbraw/zinc/30/06/49/374300649.db2.gz FJUSADHHULXPMX-KRWDZBQOSA-N 2 2 294.402 3.111 20 0 CGADLP c1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000317292134 374337992 /nfs/dbraw/zinc/33/79/92/374337992.db2.gz QORXYPNLUFTWIL-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000317292134 374337999 /nfs/dbraw/zinc/33/79/99/374337999.db2.gz QORXYPNLUFTWIL-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183023146 374355771 /nfs/dbraw/zinc/35/57/71/374355771.db2.gz CDINYTUDVCBMOY-CABCVRRESA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183023107 374356119 /nfs/dbraw/zinc/35/61/19/374356119.db2.gz CDINYTUDVCBMOY-HUUCEWRRSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccn1C ZINC000183050928 374362914 /nfs/dbraw/zinc/36/29/14/374362914.db2.gz PWLCRAASZAOPDT-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000183050946 374363239 /nfs/dbraw/zinc/36/32/39/374363239.db2.gz PWLCRAASZAOPDT-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H]2CCc2ccccc2)c[nH+]1 ZINC000183164441 374379863 /nfs/dbraw/zinc/37/98/63/374379863.db2.gz CEUUZXMPWBGXST-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H]2CCc2ccccc2)c[nH+]1 ZINC000183164441 374379866 /nfs/dbraw/zinc/37/98/66/374379866.db2.gz CEUUZXMPWBGXST-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP CN(C)c1cccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183182212 374381741 /nfs/dbraw/zinc/38/17/41/374381741.db2.gz XZPQEUBODIJUTD-GOSISDBHSA-N 2 2 298.434 3.176 20 0 CGADLP CN(C)c1cccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183182212 374381748 /nfs/dbraw/zinc/38/17/48/374381748.db2.gz XZPQEUBODIJUTD-GOSISDBHSA-N 2 2 298.434 3.176 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403396 374472821 /nfs/dbraw/zinc/47/28/21/374472821.db2.gz QNWQVBAMPOQYNY-XJKSGUPXSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403396 374472826 /nfs/dbraw/zinc/47/28/26/374472826.db2.gz QNWQVBAMPOQYNY-XJKSGUPXSA-N 2 2 262.441 3.029 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183925459 374473565 /nfs/dbraw/zinc/47/35/65/374473565.db2.gz LBDGDGHOPDPSAN-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000184296872 374511606 /nfs/dbraw/zinc/51/16/06/374511606.db2.gz RUXHWWODFDMWEX-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccncc1F ZINC000334194899 206174715 /nfs/dbraw/zinc/17/47/15/206174715.db2.gz KBCAPBBVHMAZGU-NSHDSACASA-N 2 2 279.403 3.181 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000184729326 374553917 /nfs/dbraw/zinc/55/39/17/374553917.db2.gz BINVOPHOTSKFRE-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000184729326 374553923 /nfs/dbraw/zinc/55/39/23/374553923.db2.gz BINVOPHOTSKFRE-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000334398223 374715611 /nfs/dbraw/zinc/71/56/11/374715611.db2.gz CUIUUEHVOMYMDG-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000334398223 374715619 /nfs/dbraw/zinc/71/56/19/374715619.db2.gz CUIUUEHVOMYMDG-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000334416173 374732205 /nfs/dbraw/zinc/73/22/05/374732205.db2.gz ODMWKWXUMLGTJA-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000334416173 374732211 /nfs/dbraw/zinc/73/22/11/374732211.db2.gz ODMWKWXUMLGTJA-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000334582243 374883370 /nfs/dbraw/zinc/88/33/70/374883370.db2.gz FTPNKFXSUOLOAH-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000334582243 374883376 /nfs/dbraw/zinc/88/33/76/374883376.db2.gz FTPNKFXSUOLOAH-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000334582243 374883384 /nfs/dbraw/zinc/88/33/84/374883384.db2.gz FTPNKFXSUOLOAH-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000334582243 374883390 /nfs/dbraw/zinc/88/33/90/374883390.db2.gz FTPNKFXSUOLOAH-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186327337 374834084 /nfs/dbraw/zinc/83/40/84/374834084.db2.gz NZRBQIFKCQHLDT-KEYYUXOJSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000463741039 374848463 /nfs/dbraw/zinc/84/84/63/374848463.db2.gz XJNKNVNHKCJDLO-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000463741039 374848470 /nfs/dbraw/zinc/84/84/70/374848470.db2.gz XJNKNVNHKCJDLO-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744742 374969320 /nfs/dbraw/zinc/96/93/20/374969320.db2.gz VQTLRGKTSWUUSD-HOCLYGCPSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744742 374969330 /nfs/dbraw/zinc/96/93/30/374969330.db2.gz VQTLRGKTSWUUSD-HOCLYGCPSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000186908983 374936648 /nfs/dbraw/zinc/93/66/48/374936648.db2.gz BBMQACHDIHCRLX-KRWDZBQOSA-N 2 2 271.408 3.130 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccsc1 ZINC000187728850 375081418 /nfs/dbraw/zinc/08/14/18/375081418.db2.gz HUPWWWVHPSZTTJ-GOEBONIOSA-N 2 2 296.480 3.147 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334992019 375056677 /nfs/dbraw/zinc/05/66/77/375056677.db2.gz HWMNWRJRKBFBCU-INIZCTEOSA-N 2 2 280.362 3.200 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334992019 375056680 /nfs/dbraw/zinc/05/66/80/375056680.db2.gz HWMNWRJRKBFBCU-INIZCTEOSA-N 2 2 280.362 3.200 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187658385 375064981 /nfs/dbraw/zinc/06/49/81/375064981.db2.gz FHFOBLGRXLQYGT-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP COC1(C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000483286333 375177249 /nfs/dbraw/zinc/17/72/49/375177249.db2.gz QXYNMXDSTUPNDW-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP COC1(C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000483286333 375177256 /nfs/dbraw/zinc/17/72/56/375177256.db2.gz QXYNMXDSTUPNDW-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000474467235 375112908 /nfs/dbraw/zinc/11/29/08/375112908.db2.gz BEQPNSZIVDLJAT-UHFFFAOYSA-N 2 2 278.415 3.351 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC1(C)C ZINC000487198266 375206886 /nfs/dbraw/zinc/20/68/86/375206886.db2.gz VORGKYCYZWHIFU-NWANDNLSSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CC1(C)C ZINC000487198266 375206890 /nfs/dbraw/zinc/20/68/90/375206890.db2.gz VORGKYCYZWHIFU-NWANDNLSSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488465036 375309819 /nfs/dbraw/zinc/30/98/19/375309819.db2.gz UCCMOTLHAYHKEL-ZACQAIPSSA-N 2 2 292.492 3.409 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000189030730 375312619 /nfs/dbraw/zinc/31/26/19/375312619.db2.gz YETOASNMBRRVCA-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000189030730 375312624 /nfs/dbraw/zinc/31/26/24/375312624.db2.gz YETOASNMBRRVCA-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000189066155 375318188 /nfs/dbraw/zinc/31/81/88/375318188.db2.gz ZFTKGDJQXCGVPR-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000189066155 375318194 /nfs/dbraw/zinc/31/81/94/375318194.db2.gz ZFTKGDJQXCGVPR-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066155 375318198 /nfs/dbraw/zinc/31/81/98/375318198.db2.gz ZFTKGDJQXCGVPR-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066155 375318204 /nfs/dbraw/zinc/31/82/04/375318204.db2.gz ZFTKGDJQXCGVPR-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC34CCOCC4)c[nH+]c12 ZINC000335920843 375540872 /nfs/dbraw/zinc/54/08/72/375540872.db2.gz RRCOVVHFZDZFIN-MRXNPFEDSA-N 2 2 299.418 3.082 20 0 CGADLP CCN(C)c1ccc(CNc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000190828195 375542941 /nfs/dbraw/zinc/54/29/41/375542941.db2.gz UJCCVRJSCKWBCO-UHFFFAOYSA-N 2 2 298.434 3.211 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1csc(Cl)c1 ZINC000191105763 375578162 /nfs/dbraw/zinc/57/81/62/375578162.db2.gz HPOSOHNPNNIFHR-JTQLQIEISA-N 2 2 269.801 3.339 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000336005109 375612025 /nfs/dbraw/zinc/61/20/25/375612025.db2.gz POOHTJKNOLWTGG-NSHDSACASA-N 2 2 296.201 3.364 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCCC13CCCC3)CC2 ZINC000336040711 375640613 /nfs/dbraw/zinc/64/06/13/375640613.db2.gz AHXALDRQYXEGKG-LSDHHAIUSA-N 2 2 273.424 3.291 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120952778 542013339 /nfs/dbraw/zinc/01/33/39/542013339.db2.gz JLSBSEAXFTXALF-BLLLJJGKSA-N 2 2 280.362 3.026 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120952778 542013341 /nfs/dbraw/zinc/01/33/41/542013341.db2.gz JLSBSEAXFTXALF-BLLLJJGKSA-N 2 2 280.362 3.026 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000192056072 375695070 /nfs/dbraw/zinc/69/50/70/375695070.db2.gz HZMLGHIKJZEKGR-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000192056072 375695075 /nfs/dbraw/zinc/69/50/75/375695075.db2.gz HZMLGHIKJZEKGR-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000192056072 375695079 /nfs/dbraw/zinc/69/50/79/375695079.db2.gz HZMLGHIKJZEKGR-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000192056072 375695084 /nfs/dbraw/zinc/69/50/84/375695084.db2.gz HZMLGHIKJZEKGR-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507470320 375705654 /nfs/dbraw/zinc/70/56/54/375705654.db2.gz MJVQRAZUNIJFJG-LBPRGKRZSA-N 2 2 280.378 3.285 20 0 CGADLP Cn1cc[nH+]c1[C@@H](Nc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000128232020 542051517 /nfs/dbraw/zinc/05/15/17/542051517.db2.gz DATTZEDCZZPNGW-INIZCTEOSA-N 2 2 284.407 3.045 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCC1 ZINC000192654991 375775849 /nfs/dbraw/zinc/77/58/49/375775849.db2.gz TZHJYENBEIAQNA-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000336704873 375912605 /nfs/dbraw/zinc/91/26/05/375912605.db2.gz HMLRBIBCSXFHCL-HOCLYGCPSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000336704873 375912612 /nfs/dbraw/zinc/91/26/12/375912612.db2.gz HMLRBIBCSXFHCL-HOCLYGCPSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860494 376138156 /nfs/dbraw/zinc/13/81/56/376138156.db2.gz ZPRAGEFTAVLENT-BBRMVZONSA-N 2 2 296.842 3.039 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860494 376138161 /nfs/dbraw/zinc/13/81/61/376138161.db2.gz ZPRAGEFTAVLENT-BBRMVZONSA-N 2 2 296.842 3.039 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908029 376143017 /nfs/dbraw/zinc/14/30/17/376143017.db2.gz DEHRUVJYZCJOQO-BJJXKVORSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908029 376143025 /nfs/dbraw/zinc/14/30/25/376143025.db2.gz DEHRUVJYZCJOQO-BJJXKVORSA-N 2 2 296.842 3.037 20 0 CGADLP c1cc2c(cccc2CC[NH2+]Cc2cccc3[nH+]ccn32)[nH]1 ZINC000337243668 376160472 /nfs/dbraw/zinc/16/04/72/376160472.db2.gz BRRIVCOKHPJVPJ-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000337259462 376171231 /nfs/dbraw/zinc/17/12/31/376171231.db2.gz PCIBAMRMMVQMBR-WBVHZDCISA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C[N@@H+]1C1CC1 ZINC000221861505 376223771 /nfs/dbraw/zinc/22/37/71/376223771.db2.gz PVMJCXXSYPUBQU-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)C[N@H+]1C1CC1 ZINC000221861505 376223774 /nfs/dbraw/zinc/22/37/74/376223774.db2.gz PVMJCXXSYPUBQU-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000222905127 376242566 /nfs/dbraw/zinc/24/25/66/376242566.db2.gz FMEXQZMDSIFFQY-JKOKRWQUSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000222905127 376242569 /nfs/dbraw/zinc/24/25/69/376242569.db2.gz FMEXQZMDSIFFQY-JKOKRWQUSA-N 2 2 250.386 3.030 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337996462 376252041 /nfs/dbraw/zinc/25/20/41/376252041.db2.gz PIALKFPSGVOMDU-JKSUJKDBSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000539650989 376324158 /nfs/dbraw/zinc/32/41/58/376324158.db2.gz SXNGWDILSIDYNV-COXVUDFISA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000539650989 376324163 /nfs/dbraw/zinc/32/41/63/376324163.db2.gz SXNGWDILSIDYNV-COXVUDFISA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439319 376359460 /nfs/dbraw/zinc/35/94/60/376359460.db2.gz YEZLBLGJTNGTCC-QWHCGFSZSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439319 376359463 /nfs/dbraw/zinc/35/94/63/376359463.db2.gz YEZLBLGJTNGTCC-QWHCGFSZSA-N 2 2 289.448 3.289 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226448041 376359934 /nfs/dbraw/zinc/35/99/34/376359934.db2.gz IVNJKJOYPIOITA-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000226448041 376359941 /nfs/dbraw/zinc/35/99/41/376359941.db2.gz IVNJKJOYPIOITA-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000540316430 376369223 /nfs/dbraw/zinc/36/92/23/376369223.db2.gz VALMOVAKWHDLHU-UUWFMWQGSA-N 2 2 288.410 3.349 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000540316430 376369230 /nfs/dbraw/zinc/36/92/30/376369230.db2.gz VALMOVAKWHDLHU-UUWFMWQGSA-N 2 2 288.410 3.349 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000540317562 376371481 /nfs/dbraw/zinc/37/14/81/376371481.db2.gz WGAWTLUOZAZJCH-WBVHZDCISA-N 2 2 260.425 3.315 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000540317562 376371488 /nfs/dbraw/zinc/37/14/88/376371488.db2.gz WGAWTLUOZAZJCH-WBVHZDCISA-N 2 2 260.425 3.315 20 0 CGADLP Clc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1Cl ZINC000228411412 376436966 /nfs/dbraw/zinc/43/69/66/376436966.db2.gz TWICAVALBJIQON-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230183845 376493850 /nfs/dbraw/zinc/49/38/50/376493850.db2.gz AKPRXDBFULOQCT-CYBMUJFWSA-N 2 2 264.417 3.051 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230183845 376493857 /nfs/dbraw/zinc/49/38/57/376493857.db2.gz AKPRXDBFULOQCT-CYBMUJFWSA-N 2 2 264.417 3.051 20 0 CGADLP Cc1cc(NCC[N@H+]2CC=CCC2)c2cccc(F)c2[nH+]1 ZINC000338713620 376495495 /nfs/dbraw/zinc/49/54/95/376495495.db2.gz SVZUCHVQDUQWNR-UHFFFAOYSA-N 2 2 285.366 3.356 20 0 CGADLP Cc1cc(NCC[N@@H+]2CC=CCC2)c2cccc(F)c2[nH+]1 ZINC000338713620 376495503 /nfs/dbraw/zinc/49/55/03/376495503.db2.gz SVZUCHVQDUQWNR-UHFFFAOYSA-N 2 2 285.366 3.356 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000543084456 376605274 /nfs/dbraw/zinc/60/52/74/376605274.db2.gz ZLYUCPBZPGOZAP-JSGCOSHPSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000543084456 376605279 /nfs/dbraw/zinc/60/52/79/376605279.db2.gz ZLYUCPBZPGOZAP-JSGCOSHPSA-N 2 2 275.421 3.282 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000231746131 376569115 /nfs/dbraw/zinc/56/91/15/376569115.db2.gz WDFBRQMBRUSGDE-GFCCVEGCSA-N 2 2 263.772 3.023 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000232551426 376582583 /nfs/dbraw/zinc/58/25/83/376582583.db2.gz YJGCYUXIYXTFQU-LXPRWKDFSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000232551426 376582592 /nfs/dbraw/zinc/58/25/92/376582592.db2.gz YJGCYUXIYXTFQU-LXPRWKDFSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1ccsc1 ZINC000151845579 542104403 /nfs/dbraw/zinc/10/44/03/542104403.db2.gz WNCCRDPHQOAQPB-UONOGXRCSA-N 2 2 266.454 3.143 20 0 CGADLP CCCC[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156322052 542127537 /nfs/dbraw/zinc/12/75/37/542127537.db2.gz LSBLHAIDEDTIDW-AWEZNQCLSA-N 2 2 259.397 3.354 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157625817 542135816 /nfs/dbraw/zinc/13/58/16/542135816.db2.gz GKAGURAIIMNGCE-MOPGFXCFSA-N 2 2 284.447 3.082 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157625817 542135819 /nfs/dbraw/zinc/13/58/19/542135819.db2.gz GKAGURAIIMNGCE-MOPGFXCFSA-N 2 2 284.447 3.082 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245562477 376856298 /nfs/dbraw/zinc/85/62/98/376856298.db2.gz XWAZFPJZCRCHOM-GJZGRUSLSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245562477 376856304 /nfs/dbraw/zinc/85/63/04/376856304.db2.gz XWAZFPJZCRCHOM-GJZGRUSLSA-N 2 2 299.418 3.307 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000556857232 376889946 /nfs/dbraw/zinc/88/99/46/376889946.db2.gz QDQIGVJUFSVFST-FGTMMUONSA-N 2 2 274.452 3.184 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000340175017 376936205 /nfs/dbraw/zinc/93/62/05/376936205.db2.gz VDKRPHNQDMGKNW-UHFFFAOYSA-N 2 2 285.322 3.109 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000245931988 376938806 /nfs/dbraw/zinc/93/88/06/376938806.db2.gz PNWNURRQAJKFFN-OWCLPIDISA-N 2 2 275.440 3.100 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000245931988 376938810 /nfs/dbraw/zinc/93/88/10/376938810.db2.gz PNWNURRQAJKFFN-OWCLPIDISA-N 2 2 275.440 3.100 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353132 377015042 /nfs/dbraw/zinc/01/50/42/377015042.db2.gz GGMWBJQCXGKDKA-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353132 377015051 /nfs/dbraw/zinc/01/50/51/377015051.db2.gz GGMWBJQCXGKDKA-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353132 377015059 /nfs/dbraw/zinc/01/50/59/377015059.db2.gz GGMWBJQCXGKDKA-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353132 377015065 /nfs/dbraw/zinc/01/50/65/377015065.db2.gz GGMWBJQCXGKDKA-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558417757 377003293 /nfs/dbraw/zinc/00/32/93/377003293.db2.gz HJGPZKBSJZCUSD-XYPWUTKMSA-N 2 2 290.426 3.445 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558417757 377003302 /nfs/dbraw/zinc/00/33/02/377003302.db2.gz HJGPZKBSJZCUSD-XYPWUTKMSA-N 2 2 290.426 3.445 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558417757 377003306 /nfs/dbraw/zinc/00/33/06/377003306.db2.gz HJGPZKBSJZCUSD-XYPWUTKMSA-N 2 2 290.426 3.445 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558417757 377003309 /nfs/dbraw/zinc/00/33/09/377003309.db2.gz HJGPZKBSJZCUSD-XYPWUTKMSA-N 2 2 290.426 3.445 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000340476334 377088440 /nfs/dbraw/zinc/08/84/40/377088440.db2.gz UGHMCZODISFTKB-HUUCEWRRSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247316779 377192140 /nfs/dbraw/zinc/19/21/40/377192140.db2.gz FXNNNROJDZMXNN-WMZOPIPTSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247316779 377192146 /nfs/dbraw/zinc/19/21/46/377192146.db2.gz FXNNNROJDZMXNN-WMZOPIPTSA-N 2 2 283.419 3.317 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)on1 ZINC000246955071 377127482 /nfs/dbraw/zinc/12/74/82/377127482.db2.gz HNHCXXMIPZZILG-CZUORRHYSA-N 2 2 293.455 3.398 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)on1 ZINC000246955071 377127486 /nfs/dbraw/zinc/12/74/86/377127486.db2.gz HNHCXXMIPZZILG-CZUORRHYSA-N 2 2 293.455 3.398 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000247039614 377144796 /nfs/dbraw/zinc/14/47/96/377144796.db2.gz MQTAEDHYGYUYOI-DOTOQJQBSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000247039614 377144802 /nfs/dbraw/zinc/14/48/02/377144802.db2.gz MQTAEDHYGYUYOI-DOTOQJQBSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000247674877 377232006 /nfs/dbraw/zinc/23/20/06/377232006.db2.gz RELXMEZMOKPTOA-UKRRQHHQSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000247674877 377232013 /nfs/dbraw/zinc/23/20/13/377232013.db2.gz RELXMEZMOKPTOA-UKRRQHHQSA-N 2 2 296.374 3.107 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000562042153 377268317 /nfs/dbraw/zinc/26/83/17/377268317.db2.gz VELYROQWOGIMRY-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000562042153 377268325 /nfs/dbraw/zinc/26/83/25/377268325.db2.gz VELYROQWOGIMRY-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248493588 377331081 /nfs/dbraw/zinc/33/10/81/377331081.db2.gz PHLWVRKZUXRAHK-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248493588 377331089 /nfs/dbraw/zinc/33/10/89/377331089.db2.gz PHLWVRKZUXRAHK-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248493588 377331095 /nfs/dbraw/zinc/33/10/95/377331095.db2.gz PHLWVRKZUXRAHK-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248493588 377331099 /nfs/dbraw/zinc/33/10/99/377331099.db2.gz PHLWVRKZUXRAHK-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000162294911 542163279 /nfs/dbraw/zinc/16/32/79/542163279.db2.gz FDDBMUDHLRNOIW-ZDUSSCGKSA-N 2 2 281.469 3.223 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000248971552 377436719 /nfs/dbraw/zinc/43/67/19/377436719.db2.gz CSPJQFVUKZGHAQ-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000248971552 377436728 /nfs/dbraw/zinc/43/67/28/377436728.db2.gz CSPJQFVUKZGHAQ-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000163703428 542169428 /nfs/dbraw/zinc/16/94/28/542169428.db2.gz RXPCBDTUZNOCIK-IRXDYDNUSA-N 2 2 296.499 3.292 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000164679253 542171135 /nfs/dbraw/zinc/17/11/35/542171135.db2.gz KUFKGWGCWNIBOJ-CVEARBPZSA-N 2 2 290.451 3.119 20 0 CGADLP C[C@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000422904186 249127142 /nfs/dbraw/zinc/12/71/42/249127142.db2.gz PUQDYNCETHGCKF-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000313283899 249091499 /nfs/dbraw/zinc/09/14/99/249091499.db2.gz QQKFKQIQOQCAJU-OAHLLOKOSA-N 2 2 261.413 3.055 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000341392163 377545102 /nfs/dbraw/zinc/54/51/02/377545102.db2.gz JCHLJZHJIZLGIV-WXRRBKDZSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000341392163 377545114 /nfs/dbraw/zinc/54/51/14/377545114.db2.gz JCHLJZHJIZLGIV-WXRRBKDZSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049189 377572694 /nfs/dbraw/zinc/57/26/94/377572694.db2.gz ADNWSAXHDOVTPT-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049189 377572697 /nfs/dbraw/zinc/57/26/97/377572697.db2.gz ADNWSAXHDOVTPT-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341469604 377578434 /nfs/dbraw/zinc/57/84/34/377578434.db2.gz VNVWZMXGNGUYLF-HNNXBMFYSA-N 2 2 266.404 3.454 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578809 249215708 /nfs/dbraw/zinc/21/57/08/249215708.db2.gz VHDMSQBPGXDOMA-KFWWJZLASA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578809 249215711 /nfs/dbraw/zinc/21/57/11/249215711.db2.gz VHDMSQBPGXDOMA-KFWWJZLASA-N 2 2 250.430 3.124 20 0 CGADLP CCc1ccc([C@H](COC)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000516924812 249249302 /nfs/dbraw/zinc/24/93/02/249249302.db2.gz ZMIBTDSIVNHQNI-INIZCTEOSA-N 2 2 288.391 3.065 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038339 249256203 /nfs/dbraw/zinc/25/62/03/249256203.db2.gz XTEZYHFSYXBFHG-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038339 249256207 /nfs/dbraw/zinc/25/62/07/249256207.db2.gz XTEZYHFSYXBFHG-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000518979726 249289844 /nfs/dbraw/zinc/28/98/44/249289844.db2.gz RGGGMDTZOBEFLX-ZWKOTPCHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000518979726 249289847 /nfs/dbraw/zinc/28/98/47/249289847.db2.gz RGGGMDTZOBEFLX-ZWKOTPCHSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721979 377699465 /nfs/dbraw/zinc/69/94/65/377699465.db2.gz KPDXVWIHGXLLFV-KSSFIOAISA-N 2 2 297.446 3.477 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721979 377699469 /nfs/dbraw/zinc/69/94/69/377699469.db2.gz KPDXVWIHGXLLFV-KSSFIOAISA-N 2 2 297.446 3.477 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CCC[N@@H+]1C ZINC000342718800 377754107 /nfs/dbraw/zinc/75/41/07/377754107.db2.gz RDZXZVIHSFAEAJ-XOKHGSTOSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccccc32)CCC[N@H+]1C ZINC000342718800 377754115 /nfs/dbraw/zinc/75/41/15/377754115.db2.gz RDZXZVIHSFAEAJ-XOKHGSTOSA-N 2 2 258.409 3.136 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554936 377816701 /nfs/dbraw/zinc/81/67/01/377816701.db2.gz BCYZZVNWOQISDG-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554936 377816706 /nfs/dbraw/zinc/81/67/06/377816706.db2.gz BCYZZVNWOQISDG-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000261570263 377819072 /nfs/dbraw/zinc/81/90/72/377819072.db2.gz KFYIIRSOGKJBCY-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000261570263 377819075 /nfs/dbraw/zinc/81/90/75/377819075.db2.gz KFYIIRSOGKJBCY-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012380 377879580 /nfs/dbraw/zinc/87/95/80/377879580.db2.gz VEULWZHXHQKVQR-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012380 377879585 /nfs/dbraw/zinc/87/95/85/377879585.db2.gz VEULWZHXHQKVQR-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262188580 377890345 /nfs/dbraw/zinc/89/03/45/377890345.db2.gz JLIPDMOYUXZRCP-JCGIZDLHSA-N 2 2 266.388 3.174 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262188580 377890351 /nfs/dbraw/zinc/89/03/51/377890351.db2.gz JLIPDMOYUXZRCP-JCGIZDLHSA-N 2 2 266.388 3.174 20 0 CGADLP CC(C)([NH3+])C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000261787470 377853074 /nfs/dbraw/zinc/85/30/74/377853074.db2.gz FXMQOPVIZZVADZ-UHFFFAOYSA-N 2 2 274.330 3.178 20 0 CGADLP CC(C)([NH3+])C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000261787470 377853082 /nfs/dbraw/zinc/85/30/82/377853082.db2.gz FXMQOPVIZZVADZ-UHFFFAOYSA-N 2 2 274.330 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)cc1 ZINC000577865727 378019624 /nfs/dbraw/zinc/01/96/24/378019624.db2.gz LOGMKMGDUPYSAD-UHFFFAOYSA-N 2 2 284.403 3.440 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)n1C ZINC000578907806 378112619 /nfs/dbraw/zinc/11/26/19/378112619.db2.gz CIQVTJGSLXTNOX-STQMWFEESA-N 2 2 257.381 3.010 20 0 CGADLP CC(C)C(C[NH2+]CCc1cn2ccccc2[nH+]1)C(C)C ZINC000578917889 378114349 /nfs/dbraw/zinc/11/43/49/378114349.db2.gz YMAOQPUOSMWORW-UHFFFAOYSA-N 2 2 273.424 3.395 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344005076 378150681 /nfs/dbraw/zinc/15/06/81/378150681.db2.gz DODNWJWIICFBMM-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344005076 378150685 /nfs/dbraw/zinc/15/06/85/378150685.db2.gz DODNWJWIICFBMM-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1Cl ZINC000268746528 378101702 /nfs/dbraw/zinc/10/17/02/378101702.db2.gz HWODKEFURUSOHE-NSHDSACASA-N 2 2 279.815 3.012 20 0 CGADLP COc1cccc2c(NCC3=CC[N@H+](C)CC3)c(C)c[nH+]c12 ZINC000345125249 378199964 /nfs/dbraw/zinc/19/99/64/378199964.db2.gz HFHCIHFKURZPPS-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP COc1cccc2c(NCC3=CC[N@@H+](C)CC3)c(C)c[nH+]c12 ZINC000345125249 378199970 /nfs/dbraw/zinc/19/99/70/378199970.db2.gz HFHCIHFKURZPPS-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579950973 378209899 /nfs/dbraw/zinc/20/98/99/378209899.db2.gz GMCPMTAGVAHPPK-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579950973 378209903 /nfs/dbraw/zinc/20/99/03/378209903.db2.gz GMCPMTAGVAHPPK-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000581864169 378279487 /nfs/dbraw/zinc/27/94/87/378279487.db2.gz VLTFSEGJVHDIRA-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000581864169 378279491 /nfs/dbraw/zinc/27/94/91/378279491.db2.gz VLTFSEGJVHDIRA-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000270840545 378404899 /nfs/dbraw/zinc/40/48/99/378404899.db2.gz FSQPHZIXJUHKHU-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000270840545 378404902 /nfs/dbraw/zinc/40/49/02/378404902.db2.gz FSQPHZIXJUHKHU-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000270880184 378408537 /nfs/dbraw/zinc/40/85/37/378408537.db2.gz NKMOUCRMNRCWOT-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000270880184 378408543 /nfs/dbraw/zinc/40/85/43/378408543.db2.gz NKMOUCRMNRCWOT-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000346134999 378475288 /nfs/dbraw/zinc/47/52/88/378475288.db2.gz FYVAVCWNLABHFF-CQSZACIVSA-N 2 2 296.374 3.362 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000346134999 378475295 /nfs/dbraw/zinc/47/52/95/378475295.db2.gz FYVAVCWNLABHFF-CQSZACIVSA-N 2 2 296.374 3.362 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC34CCC4)sc2C1 ZINC000346144064 378479371 /nfs/dbraw/zinc/47/93/71/378479371.db2.gz BIKOHFPWLZJWKU-UHFFFAOYSA-N 2 2 291.464 3.038 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC34CCC4)sc2C1 ZINC000346144064 378479375 /nfs/dbraw/zinc/47/93/75/378479375.db2.gz BIKOHFPWLZJWKU-UHFFFAOYSA-N 2 2 291.464 3.038 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC34CCC4)sc2C1 ZINC000346144064 378479382 /nfs/dbraw/zinc/47/93/82/378479382.db2.gz BIKOHFPWLZJWKU-UHFFFAOYSA-N 2 2 291.464 3.038 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC34CCC4)sc2C1 ZINC000346144064 378479385 /nfs/dbraw/zinc/47/93/85/378479385.db2.gz BIKOHFPWLZJWKU-UHFFFAOYSA-N 2 2 291.464 3.038 20 0 CGADLP CCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271202260 378482005 /nfs/dbraw/zinc/48/20/05/378482005.db2.gz QPEXZHSWHVVOKD-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)c(OC(F)F)cc1C ZINC000266105193 190231096 /nfs/dbraw/zinc/23/10/96/190231096.db2.gz LMTFWZVAXMSTHM-UHFFFAOYSA-N 2 2 298.377 3.089 20 0 CGADLP CC(C)(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346308033 378538986 /nfs/dbraw/zinc/53/89/86/378538986.db2.gz GRUMIJLDXNHAEE-UHFFFAOYSA-N 2 2 271.408 3.431 20 0 CGADLP CC(C)(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346308033 378538991 /nfs/dbraw/zinc/53/89/91/378538991.db2.gz GRUMIJLDXNHAEE-UHFFFAOYSA-N 2 2 271.408 3.431 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000346275467 378529008 /nfs/dbraw/zinc/52/90/08/378529008.db2.gz KEVNWGQQVWWJLH-LJQANCHMSA-N 2 2 295.430 3.253 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000346275467 378529013 /nfs/dbraw/zinc/52/90/13/378529013.db2.gz KEVNWGQQVWWJLH-LJQANCHMSA-N 2 2 295.430 3.253 20 0 CGADLP CC[NH+](CC)Cc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000266144609 190234239 /nfs/dbraw/zinc/23/42/39/190234239.db2.gz IFMGBXYADHZIOP-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CCC[NH2+]CC2)s1 ZINC000346685062 378675154 /nfs/dbraw/zinc/67/51/54/378675154.db2.gz IGWIGAQNVVMBEP-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Fc1ccccc1-c1ccc(C[N@H+]2CCC[NH2+]CC2)s1 ZINC000346685062 378675159 /nfs/dbraw/zinc/67/51/59/378675159.db2.gz IGWIGAQNVVMBEP-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000637950397 378642998 /nfs/dbraw/zinc/64/29/98/378642998.db2.gz DHHWEPIBCSXSTR-CYBMUJFWSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000637950397 378643002 /nfs/dbraw/zinc/64/30/02/378643002.db2.gz DHHWEPIBCSXSTR-CYBMUJFWSA-N 2 2 275.421 3.468 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1(C)C ZINC000348049710 378765773 /nfs/dbraw/zinc/76/57/73/378765773.db2.gz XWLFPUMGZRASLX-DOTOQJQBSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000266182596 190238055 /nfs/dbraw/zinc/23/80/55/190238055.db2.gz GOXMKTYYHVSCIU-RHSMWYFYSA-N 2 2 269.392 3.210 20 0 CGADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000348053084 378768734 /nfs/dbraw/zinc/76/87/34/378768734.db2.gz ZSNYLGQNCYXJJS-NRAUKZCXSA-N 2 2 292.373 3.037 20 0 CGADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000348053084 378768738 /nfs/dbraw/zinc/76/87/38/378768738.db2.gz ZSNYLGQNCYXJJS-NRAUKZCXSA-N 2 2 292.373 3.037 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]CCC1CCCCCC1)CC2 ZINC000348189212 378831602 /nfs/dbraw/zinc/83/16/02/378831602.db2.gz VTYMSGAEOCSZGW-OAHLLOKOSA-N 2 2 261.413 3.148 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811125 /nfs/dbraw/zinc/81/11/25/378811125.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811130 /nfs/dbraw/zinc/81/11/30/378811130.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811135 /nfs/dbraw/zinc/81/11/35/378811135.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142920 378811139 /nfs/dbraw/zinc/81/11/39/378811139.db2.gz ZQWJGJGMEKBNDG-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccns1)c1ccccc1 ZINC000638601097 378846429 /nfs/dbraw/zinc/84/64/29/378846429.db2.gz IZAUJHPTRNCAQI-CYBMUJFWSA-N 2 2 289.448 3.362 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)CCC2 ZINC000348250558 378864834 /nfs/dbraw/zinc/86/48/34/378864834.db2.gz XAVGQYJFVBLTGQ-KSZLIROESA-N 2 2 295.430 3.462 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348261346 378870007 /nfs/dbraw/zinc/87/00/07/378870007.db2.gz PIIZAQDBPACJKG-ZWKOTPCHSA-N 2 2 266.388 3.326 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274823639 378901250 /nfs/dbraw/zinc/90/12/50/378901250.db2.gz BYROSTAJRZNYIW-LBPRGKRZSA-N 2 2 281.831 3.258 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000348364007 378928464 /nfs/dbraw/zinc/92/84/64/378928464.db2.gz BFCDITLEMXTNQB-UONOGXRCSA-N 2 2 271.408 3.284 20 0 CGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000347008999 218091228 /nfs/dbraw/zinc/09/12/28/218091228.db2.gz FFWHQDOWQKVRNO-SECBINFHSA-N 2 2 292.732 3.139 20 0 CGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000347008999 218091230 /nfs/dbraw/zinc/09/12/30/218091230.db2.gz FFWHQDOWQKVRNO-SECBINFHSA-N 2 2 292.732 3.139 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348395833 378939826 /nfs/dbraw/zinc/93/98/26/378939826.db2.gz KAKZVHZDCPBZNQ-CFVMTHIKSA-N 2 2 273.355 3.414 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnccn1 ZINC000348322854 378907070 /nfs/dbraw/zinc/90/70/70/378907070.db2.gz QTARSGSWYDOPFR-OWCLPIDISA-N 2 2 290.455 3.028 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cn1 ZINC000274871558 378911486 /nfs/dbraw/zinc/91/14/86/378911486.db2.gz FVKDOUQLZZRVFG-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000348346369 378920409 /nfs/dbraw/zinc/92/04/09/378920409.db2.gz CKXDVMCGCGGBJF-LSDHHAIUSA-N 2 2 290.455 3.217 20 0 CGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000348346369 378920417 /nfs/dbraw/zinc/92/04/17/378920417.db2.gz CKXDVMCGCGGBJF-LSDHHAIUSA-N 2 2 290.455 3.217 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348418714 378948961 /nfs/dbraw/zinc/94/89/61/378948961.db2.gz JJLFTDYOGJZXJR-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348418714 378948964 /nfs/dbraw/zinc/94/89/64/378948964.db2.gz JJLFTDYOGJZXJR-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238188 378952624 /nfs/dbraw/zinc/95/26/24/378952624.db2.gz GMIKWEOSTCFHEE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238188 378952630 /nfs/dbraw/zinc/95/26/30/378952630.db2.gz GMIKWEOSTCFHEE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238188 378952636 /nfs/dbraw/zinc/95/26/36/378952636.db2.gz GMIKWEOSTCFHEE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238188 378952645 /nfs/dbraw/zinc/95/26/45/378952645.db2.gz GMIKWEOSTCFHEE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP COc1ccc([C@@H](CCC(C)C)[NH2+]CC[NH+](C)C)cc1 ZINC000348431566 378954187 /nfs/dbraw/zinc/95/41/87/378954187.db2.gz VKXZLLIXXTWTLF-QGZVFWFLSA-N 2 2 278.440 3.324 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000639041944 378978690 /nfs/dbraw/zinc/97/86/90/378978690.db2.gz QFZJVCFESLZOSX-YJBOKZPZSA-N 2 2 297.402 3.132 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000639041944 378978697 /nfs/dbraw/zinc/97/86/97/378978697.db2.gz QFZJVCFESLZOSX-YJBOKZPZSA-N 2 2 297.402 3.132 20 0 CGADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C1CC[NH2+]CC1 ZINC000347091358 218119635 /nfs/dbraw/zinc/11/96/35/218119635.db2.gz FFGCFXXXVQNVNJ-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C1CC[NH2+]CC1 ZINC000347091358 218119638 /nfs/dbraw/zinc/11/96/38/218119638.db2.gz FFGCFXXXVQNVNJ-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347156968 218140248 /nfs/dbraw/zinc/14/02/48/218140248.db2.gz DTUNBJYUPLQHER-AWEZNQCLSA-N 2 2 270.376 3.068 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347156968 218140250 /nfs/dbraw/zinc/14/02/50/218140250.db2.gz DTUNBJYUPLQHER-AWEZNQCLSA-N 2 2 270.376 3.068 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000347233598 218164316 /nfs/dbraw/zinc/16/43/16/218164316.db2.gz ZDSZFEZMMLFRJZ-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000347233598 218164318 /nfs/dbraw/zinc/16/43/18/218164318.db2.gz ZDSZFEZMMLFRJZ-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624442 322170837 /nfs/dbraw/zinc/17/08/37/322170837.db2.gz PITQMBZMJOCIGF-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624442 322170841 /nfs/dbraw/zinc/17/08/41/322170841.db2.gz PITQMBZMJOCIGF-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624442 322170843 /nfs/dbraw/zinc/17/08/43/322170843.db2.gz PITQMBZMJOCIGF-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624442 322170845 /nfs/dbraw/zinc/17/08/45/322170845.db2.gz PITQMBZMJOCIGF-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000277055289 379055817 /nfs/dbraw/zinc/05/58/17/379055817.db2.gz QQNNOHZZWYZSIW-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000277055289 379055822 /nfs/dbraw/zinc/05/58/22/379055822.db2.gz QQNNOHZZWYZSIW-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP c1cn(Cc2ccc(NCCC3CCCCC3)[nH+]c2)c[nH+]1 ZINC000348850113 379085645 /nfs/dbraw/zinc/08/56/45/379085645.db2.gz SFISSLMSRLRFHP-UHFFFAOYSA-N 2 2 284.407 3.131 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC000277310996 379127726 /nfs/dbraw/zinc/12/77/26/379127726.db2.gz USCUPXHEIXNXPD-LBPRGKRZSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC000277310996 379127741 /nfs/dbraw/zinc/12/77/41/379127741.db2.gz USCUPXHEIXNXPD-LBPRGKRZSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467984 218246360 /nfs/dbraw/zinc/24/63/60/218246360.db2.gz SBUFHMLAZRFTRH-XWTMOSNGSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467984 218246362 /nfs/dbraw/zinc/24/63/62/218246362.db2.gz SBUFHMLAZRFTRH-XWTMOSNGSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347467984 218246365 /nfs/dbraw/zinc/24/63/65/218246365.db2.gz SBUFHMLAZRFTRH-XWTMOSNGSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347467984 218246367 /nfs/dbraw/zinc/24/63/67/218246367.db2.gz SBUFHMLAZRFTRH-XWTMOSNGSA-N 2 2 294.483 3.283 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000277368401 379142825 /nfs/dbraw/zinc/14/28/25/379142825.db2.gz XKXYIIJOIQTRSC-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000277368401 379142831 /nfs/dbraw/zinc/14/28/31/379142831.db2.gz XKXYIIJOIQTRSC-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000347492747 218254829 /nfs/dbraw/zinc/25/48/29/218254829.db2.gz KJDDCLLHDXFURY-WFASDCNBSA-N 2 2 289.810 3.245 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)o1 ZINC000349346831 379240540 /nfs/dbraw/zinc/24/05/40/379240540.db2.gz KXNSAZGWKVGYTN-UHFFFAOYSA-N 2 2 270.804 3.241 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)o1 ZINC000349346831 379240544 /nfs/dbraw/zinc/24/05/44/379240544.db2.gz KXNSAZGWKVGYTN-UHFFFAOYSA-N 2 2 270.804 3.241 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)ccc1C)CCC2 ZINC000373204721 379241235 /nfs/dbraw/zinc/24/12/35/379241235.db2.gz SYNMTVNQDGGMRQ-AWEZNQCLSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1cc(C)c(/C=C/C[N@@H+](C)CC2C[NH+](C)C2)cc1C ZINC000639309374 379259648 /nfs/dbraw/zinc/25/96/48/379259648.db2.gz NNOMTWZAJJMXKZ-VOTSOKGWSA-N 2 2 272.436 3.118 20 0 CGADLP Cc1cc(C)c(/C=C/C[N@H+](C)CC2C[NH+](C)C2)cc1C ZINC000639309374 379259652 /nfs/dbraw/zinc/25/96/52/379259652.db2.gz NNOMTWZAJJMXKZ-VOTSOKGWSA-N 2 2 272.436 3.118 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349400534 379266982 /nfs/dbraw/zinc/26/69/82/379266982.db2.gz CTCOKJZICQFXMV-DAYGRLMNSA-N 2 2 290.451 3.083 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349412311 379273210 /nfs/dbraw/zinc/27/32/10/379273210.db2.gz BOBRDGFSWOAHQV-HZPDHXFCSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349412311 379273213 /nfs/dbraw/zinc/27/32/13/379273213.db2.gz BOBRDGFSWOAHQV-HZPDHXFCSA-N 2 2 261.413 3.197 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000349422407 379275870 /nfs/dbraw/zinc/27/58/70/379275870.db2.gz VLIJRSFTHOPKOO-ZFWWWQNUSA-N 2 2 264.413 3.177 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000349422407 379275873 /nfs/dbraw/zinc/27/58/73/379275873.db2.gz VLIJRSFTHOPKOO-ZFWWWQNUSA-N 2 2 264.413 3.177 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349424046 379279706 /nfs/dbraw/zinc/27/97/06/379279706.db2.gz YBIUKTNIRUIACN-UHFFFAOYSA-N 2 2 283.485 3.430 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349424046 379279714 /nfs/dbraw/zinc/27/97/14/379279714.db2.gz YBIUKTNIRUIACN-UHFFFAOYSA-N 2 2 283.485 3.430 20 0 CGADLP COc1cc(C[NH2+]CCc2cc[nH+]cc2C)ccc1C ZINC000278909434 194207698 /nfs/dbraw/zinc/20/76/98/194207698.db2.gz SFIAOVYUJYWDCD-UHFFFAOYSA-N 2 2 270.376 3.039 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCSCC1 ZINC000349791142 379386707 /nfs/dbraw/zinc/38/67/07/379386707.db2.gz PQSOOKGQIZEHGD-UHFFFAOYSA-N 2 2 292.492 3.193 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCSCC1 ZINC000349791142 379386710 /nfs/dbraw/zinc/38/67/10/379386710.db2.gz PQSOOKGQIZEHGD-UHFFFAOYSA-N 2 2 292.492 3.193 20 0 CGADLP Cc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374214087 379394323 /nfs/dbraw/zinc/39/43/23/379394323.db2.gz XAIBBBUGRRQEFR-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)n1 ZINC000639514431 379446291 /nfs/dbraw/zinc/44/62/91/379446291.db2.gz OSMSEYBCZXELPF-UHFFFAOYSA-N 2 2 284.407 3.040 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccon1 ZINC000349836703 379413567 /nfs/dbraw/zinc/41/35/67/379413567.db2.gz UCBSXHLLOQCIKX-CHWSQXEVSA-N 2 2 282.347 3.272 20 0 CGADLP Fc1ccc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266733457 190277538 /nfs/dbraw/zinc/27/75/38/190277538.db2.gz KAPKEDJDBVKZSZ-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP COc1cccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1F ZINC000192709203 542269095 /nfs/dbraw/zinc/26/90/95/542269095.db2.gz YMYUNHBOEUAHSL-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CCc2nccs2)c(C)[nH+]1 ZINC000639545204 379465351 /nfs/dbraw/zinc/46/53/51/379465351.db2.gz RQWVQUIELDNOTR-UHFFFAOYSA-N 2 2 275.421 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CCc2nccs2)c(C)[nH+]1 ZINC000639545204 379465356 /nfs/dbraw/zinc/46/53/56/379465356.db2.gz RQWVQUIELDNOTR-UHFFFAOYSA-N 2 2 275.421 3.138 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccccn2)c(C)[nH+]1 ZINC000639576046 379484380 /nfs/dbraw/zinc/48/43/80/379484380.db2.gz LXSABGQQISQCRT-AWEZNQCLSA-N 2 2 255.365 3.253 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)s1 ZINC000266724201 190277161 /nfs/dbraw/zinc/27/71/61/190277161.db2.gz IGTKCWSBFKHACR-UHFFFAOYSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c(C)[nH+]1 ZINC000639698606 379556036 /nfs/dbraw/zinc/55/60/36/379556036.db2.gz NFOXWSQOXPKLNV-CQSZACIVSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c(C)[nH+]1 ZINC000639698606 379556043 /nfs/dbraw/zinc/55/60/43/379556043.db2.gz NFOXWSQOXPKLNV-CQSZACIVSA-N 2 2 274.408 3.150 20 0 CGADLP CC1=Nc2ccccc2C12CC[NH+](CCn1cc[nH+]c1)CC2 ZINC000639715861 379557762 /nfs/dbraw/zinc/55/77/62/379557762.db2.gz SYVGPHVMIXYGKQ-UHFFFAOYSA-N 2 2 294.402 3.023 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000640016930 379687027 /nfs/dbraw/zinc/68/70/27/379687027.db2.gz HDSOZOLLFZAHSL-UHFFFAOYSA-N 2 2 296.405 3.314 20 0 CGADLP CO[C@@H](C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280306166 379672475 /nfs/dbraw/zinc/67/24/75/379672475.db2.gz WJWLSFBRQPTLIA-ZDUSSCGKSA-N 2 2 287.407 3.017 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640151942 379735287 /nfs/dbraw/zinc/73/52/87/379735287.db2.gz AKJXLHYBUSNRGO-HZPDHXFCSA-N 2 2 282.378 3.300 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640151942 379735290 /nfs/dbraw/zinc/73/52/90/379735290.db2.gz AKJXLHYBUSNRGO-HZPDHXFCSA-N 2 2 282.378 3.300 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801990 379743598 /nfs/dbraw/zinc/74/35/98/379743598.db2.gz DLCXYXUGODNMSX-RSUWNVLCSA-N 2 2 273.424 3.071 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801990 379743601 /nfs/dbraw/zinc/74/36/01/379743601.db2.gz DLCXYXUGODNMSX-RSUWNVLCSA-N 2 2 273.424 3.071 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000347752779 218346293 /nfs/dbraw/zinc/34/62/93/218346293.db2.gz KMKAARJRKDXZGY-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347752779 218346296 /nfs/dbraw/zinc/34/62/96/218346296.db2.gz KMKAARJRKDXZGY-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000352539638 379848642 /nfs/dbraw/zinc/84/86/42/379848642.db2.gz BKGBTYRUYILNMO-LBPRGKRZSA-N 2 2 293.411 3.139 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000352539638 379848649 /nfs/dbraw/zinc/84/86/49/379848649.db2.gz BKGBTYRUYILNMO-LBPRGKRZSA-N 2 2 293.411 3.139 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000378428395 379824226 /nfs/dbraw/zinc/82/42/26/379824226.db2.gz KMUAKSNFHBEBAI-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000378428395 379824234 /nfs/dbraw/zinc/82/42/34/379824234.db2.gz KMUAKSNFHBEBAI-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282441591 379919294 /nfs/dbraw/zinc/91/92/94/379919294.db2.gz ZLNYZEPRAZNNMP-KMFMINBZSA-N 2 2 269.392 3.045 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000389306887 379896278 /nfs/dbraw/zinc/89/62/78/379896278.db2.gz FLCLBVVFAJDZAZ-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000389306887 379896283 /nfs/dbraw/zinc/89/62/83/379896283.db2.gz FLCLBVVFAJDZAZ-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)o1 ZINC000352806917 379971648 /nfs/dbraw/zinc/97/16/48/379971648.db2.gz BEYZUCDXJAHLKQ-GZBFAFLISA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)o1 ZINC000352806917 379971659 /nfs/dbraw/zinc/97/16/59/379971659.db2.gz BEYZUCDXJAHLKQ-GZBFAFLISA-N 2 2 276.424 3.124 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734778 379930969 /nfs/dbraw/zinc/93/09/69/379930969.db2.gz BRGGRRVXULFRNF-SECBINFHSA-N 2 2 295.374 3.025 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000352752405 379941008 /nfs/dbraw/zinc/94/10/08/379941008.db2.gz AAMRRCPDUXMGLZ-VSQXVHSFSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000352752405 379941013 /nfs/dbraw/zinc/94/10/13/379941013.db2.gz AAMRRCPDUXMGLZ-VSQXVHSFSA-N 2 2 280.362 3.050 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400392526 379949475 /nfs/dbraw/zinc/94/94/75/379949475.db2.gz AUWNHLMQMDVSPZ-SLEUVZQESA-N 2 2 264.438 3.200 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352903647 380028742 /nfs/dbraw/zinc/02/87/42/380028742.db2.gz PXTRGNWQRUFHMX-JKIFEVAISA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352903647 380028750 /nfs/dbraw/zinc/02/87/50/380028750.db2.gz PXTRGNWQRUFHMX-JKIFEVAISA-N 2 2 288.435 3.219 20 0 CGADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352924683 380041491 /nfs/dbraw/zinc/04/14/91/380041491.db2.gz HNIZGXATTJVYNG-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000352924683 380041494 /nfs/dbraw/zinc/04/14/94/380041494.db2.gz HNIZGXATTJVYNG-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000641802283 380112863 /nfs/dbraw/zinc/11/28/63/380112863.db2.gz ISTJEASWLVFZNI-STQMWFEESA-N 2 2 279.453 3.016 20 0 CGADLP Cc1cccn2c(C[NH2+]CC3(C(F)(F)F)CCC3)c[nH+]c12 ZINC000353099253 380114335 /nfs/dbraw/zinc/11/43/35/380114335.db2.gz RLQUNFHAHQSZBH-UHFFFAOYSA-N 2 2 297.324 3.465 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC(F)(F)CC1 ZINC000353244436 380185372 /nfs/dbraw/zinc/18/53/72/380185372.db2.gz QKQXLUXXLLBMPE-GFCCVEGCSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272025 380199932 /nfs/dbraw/zinc/19/99/32/380199932.db2.gz NQXJNASFGOTPEK-LALPHHSUSA-N 2 2 286.410 3.273 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272025 380199937 /nfs/dbraw/zinc/19/99/37/380199937.db2.gz NQXJNASFGOTPEK-LALPHHSUSA-N 2 2 286.410 3.273 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353188293 380159021 /nfs/dbraw/zinc/15/90/21/380159021.db2.gz CWQYPMWATCCMHB-ZDUSSCGKSA-N 2 2 289.810 3.204 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353944631 380248166 /nfs/dbraw/zinc/24/81/66/380248166.db2.gz KXNBDNOZHBWEKE-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)c[nH+]1 ZINC000353947110 380249824 /nfs/dbraw/zinc/24/98/24/380249824.db2.gz XGKSXPMCKLTPRF-CQSZACIVSA-N 2 2 298.386 3.402 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500956 380323026 /nfs/dbraw/zinc/32/30/26/380323026.db2.gz KGXSWOTXRGEAOO-HIFRSBDPSA-N 2 2 298.377 3.471 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502840 380326340 /nfs/dbraw/zinc/32/63/40/380326340.db2.gz SRXQNQSBOYWXES-GUYCJALGSA-N 2 2 288.435 3.149 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506240 380328232 /nfs/dbraw/zinc/32/82/32/380328232.db2.gz PIDHCIGPRZYMAH-LBPRGKRZSA-N 2 2 258.365 3.144 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507875 380329905 /nfs/dbraw/zinc/32/99/05/380329905.db2.gz UOPKZNGDMKVOGZ-INIZCTEOSA-N 2 2 278.465 3.145 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414540183 380309587 /nfs/dbraw/zinc/30/95/87/380309587.db2.gz GBHKVXJIBUVPKW-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414540183 380309597 /nfs/dbraw/zinc/30/95/97/380309597.db2.gz GBHKVXJIBUVPKW-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000643459872 380312124 /nfs/dbraw/zinc/31/21/24/380312124.db2.gz VDXHBDHPYZFADG-WMLDXEAASA-N 2 2 297.402 3.104 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000414674699 380365923 /nfs/dbraw/zinc/36/59/23/380365923.db2.gz FARIIRDADBIDGL-DOMZBBRYSA-N 2 2 252.377 3.192 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000414674699 380365925 /nfs/dbraw/zinc/36/59/25/380365925.db2.gz FARIIRDADBIDGL-DOMZBBRYSA-N 2 2 252.377 3.192 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc2cccnc12 ZINC000414768272 380396864 /nfs/dbraw/zinc/39/68/64/380396864.db2.gz LOGWVPMHZPIJKM-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc2cccnc12 ZINC000414768272 380396870 /nfs/dbraw/zinc/39/68/70/380396870.db2.gz LOGWVPMHZPIJKM-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(OCCC)c1 ZINC000643525696 380341134 /nfs/dbraw/zinc/34/11/34/380341134.db2.gz BBGKZTMHFNBDBC-KGLIPLIRSA-N 2 2 294.439 3.262 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)cc1 ZINC000643535786 380352597 /nfs/dbraw/zinc/35/25/97/380352597.db2.gz JJCCJGIZWFZCDS-MELADBBJSA-N 2 2 270.779 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414657585 380356177 /nfs/dbraw/zinc/35/61/77/380356177.db2.gz HTCILQNLCROHDK-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414657585 380356182 /nfs/dbraw/zinc/35/61/82/380356182.db2.gz HTCILQNLCROHDK-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414813358 380424503 /nfs/dbraw/zinc/42/45/03/380424503.db2.gz MJNWXLZNLCWIHA-AWEZNQCLSA-N 2 2 289.448 3.417 20 0 CGADLP Cc1nn(C(C)C)cc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414816826 380428417 /nfs/dbraw/zinc/42/84/17/380428417.db2.gz YBFURZILOSGAFQ-UHFFFAOYSA-N 2 2 292.471 3.174 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414824931 380434687 /nfs/dbraw/zinc/43/46/87/380434687.db2.gz BMFUGWXLIAJVCK-MPGHIAIKSA-N 2 2 268.404 3.468 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414838743 380445572 /nfs/dbraw/zinc/44/55/72/380445572.db2.gz VQCFRIRBGWMDFV-QGZVFWFLSA-N 2 2 254.377 3.039 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000414840406 380447593 /nfs/dbraw/zinc/44/75/93/380447593.db2.gz XACIAWGHNNVTFK-OAHLLOKOSA-N 2 2 294.320 3.495 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(Cl)c1Cl ZINC000414843512 380449655 /nfs/dbraw/zinc/44/96/55/380449655.db2.gz QATHJOLVAUWIDS-ZETCQYMHSA-N 2 2 267.225 3.000 20 0 CGADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000414854288 380455218 /nfs/dbraw/zinc/45/52/18/380455218.db2.gz ZDTFOPYVTTVLLW-JTQLQIEISA-N 2 2 292.732 3.200 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354330441 380403513 /nfs/dbraw/zinc/40/35/13/380403513.db2.gz OKBFLZGUCBARCM-GOSISDBHSA-N 3 2 289.467 3.177 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354330441 380403516 /nfs/dbraw/zinc/40/35/16/380403516.db2.gz OKBFLZGUCBARCM-GOSISDBHSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cccc(F)c2F)c[nH+]1 ZINC000354337074 380404953 /nfs/dbraw/zinc/40/49/53/380404953.db2.gz ZZXKBRJMURPZPU-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C1(C[NH3+])CCC1 ZINC000414790559 380406592 /nfs/dbraw/zinc/40/65/92/380406592.db2.gz PJAPQYXZSUBNMX-UHFFFAOYSA-N 2 2 293.461 3.185 20 0 CGADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C1(C[NH3+])CCC1 ZINC000414790559 380406595 /nfs/dbraw/zinc/40/65/95/380406595.db2.gz PJAPQYXZSUBNMX-UHFFFAOYSA-N 2 2 293.461 3.185 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2Cc3ccccc3C2)c[nH+]1 ZINC000354349588 380409494 /nfs/dbraw/zinc/40/94/94/380409494.db2.gz TUHBUXFSPLTLRM-UHFFFAOYSA-N 2 2 280.415 3.327 20 0 CGADLP Cc1nc(C)c(C[NH2+]CC[NH2+]C2CCCCCC2)s1 ZINC000414805066 380417743 /nfs/dbraw/zinc/41/77/43/380417743.db2.gz LNZMMCOWNDVLLP-UHFFFAOYSA-N 2 2 281.469 3.162 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414805335 380418281 /nfs/dbraw/zinc/41/82/81/380418281.db2.gz OPOGXWXPYGSWFR-UHFFFAOYSA-N 2 2 284.403 3.189 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@](CO)(C(C)C)C2)c[nH+]1 ZINC000354564254 380487530 /nfs/dbraw/zinc/48/75/30/380487530.db2.gz KGWLUWAKFWUNBI-GOSISDBHSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c[nH+]1 ZINC000354564254 380487536 /nfs/dbraw/zinc/48/75/36/380487536.db2.gz KGWLUWAKFWUNBI-GOSISDBHSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414934476 380496431 /nfs/dbraw/zinc/49/64/31/380496431.db2.gz BPFZJCUEXALJKO-IUODEOHRSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000414947585 380503005 /nfs/dbraw/zinc/50/30/05/380503005.db2.gz KWJZPYAGQYRVCN-CABZTGNLSA-N 2 2 273.207 3.224 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415079367 380506508 /nfs/dbraw/zinc/50/65/08/380506508.db2.gz JZEZFIXYDINKEZ-RWMBFGLXSA-N 2 2 280.387 3.016 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)c2nccs2)c[nH+]1 ZINC000354653878 380516597 /nfs/dbraw/zinc/51/65/97/380516597.db2.gz SZYIMKWAWGZJQA-LBPRGKRZSA-N 2 2 275.421 3.172 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414871832 380466958 /nfs/dbraw/zinc/46/69/58/380466958.db2.gz VPZFBKCBORGXLT-MRXNPFEDSA-N 2 2 276.424 3.097 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC000355113127 380579911 /nfs/dbraw/zinc/57/99/11/380579911.db2.gz JDXRIIJPTZAWTO-MAUKXSAKSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC000355113127 380579914 /nfs/dbraw/zinc/57/99/14/380579914.db2.gz JDXRIIJPTZAWTO-MAUKXSAKSA-N 2 2 290.451 3.460 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307604 380589441 /nfs/dbraw/zinc/58/94/41/380589441.db2.gz DRVYMCRUOUBRHK-QLFBSQMISA-N 2 2 278.465 3.316 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000645150516 380596591 /nfs/dbraw/zinc/59/65/91/380596591.db2.gz UJPKWJNDWKRQSA-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000645150516 380596598 /nfs/dbraw/zinc/59/65/98/380596598.db2.gz UJPKWJNDWKRQSA-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP FC(F)C1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355154843 380601269 /nfs/dbraw/zinc/60/12/69/380601269.db2.gz PHVZSSRCCWCJLV-HNNXBMFYSA-N 2 2 294.389 3.286 20 0 CGADLP FC(F)C1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355154843 380601273 /nfs/dbraw/zinc/60/12/73/380601273.db2.gz PHVZSSRCCWCJLV-HNNXBMFYSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417371876 380612949 /nfs/dbraw/zinc/61/29/49/380612949.db2.gz WHXPAWPBVHJNMR-DJIMGWMZSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417371876 380612955 /nfs/dbraw/zinc/61/29/55/380612955.db2.gz WHXPAWPBVHJNMR-DJIMGWMZSA-N 2 2 270.420 3.212 20 0 CGADLP CSC1(C[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CCC1 ZINC000356193994 380792718 /nfs/dbraw/zinc/79/27/18/380792718.db2.gz NZFYGMWBAJGNNM-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419332001 380806576 /nfs/dbraw/zinc/80/65/76/380806576.db2.gz JSNGPENJUUWMPW-CABCVRRESA-N 2 2 263.429 3.109 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419332001 380806582 /nfs/dbraw/zinc/80/65/82/380806582.db2.gz JSNGPENJUUWMPW-CABCVRRESA-N 2 2 263.429 3.109 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419339570 380808559 /nfs/dbraw/zinc/80/85/59/380808559.db2.gz UZSCZTKBDFOAIL-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419339570 380808567 /nfs/dbraw/zinc/80/85/67/380808567.db2.gz UZSCZTKBDFOAIL-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP COCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000356784325 380868387 /nfs/dbraw/zinc/86/83/87/380868387.db2.gz MKJDENHHUBNGRF-OAHLLOKOSA-N 2 2 294.439 3.210 20 0 CGADLP CC1([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000334841304 207170085 /nfs/dbraw/zinc/17/00/85/207170085.db2.gz GQTSGULPIWLROY-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000334853636 207188440 /nfs/dbraw/zinc/18/84/40/207188440.db2.gz UIBFUSJMQOPTHG-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000334853636 207188444 /nfs/dbraw/zinc/18/84/44/207188444.db2.gz UIBFUSJMQOPTHG-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000334870433 207220393 /nfs/dbraw/zinc/22/03/93/207220393.db2.gz REWGUOHKYLULPU-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000334870433 207220398 /nfs/dbraw/zinc/22/03/98/207220398.db2.gz REWGUOHKYLULPU-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP CC[NH+]1CCC(Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000361250530 381663094 /nfs/dbraw/zinc/66/30/94/381663094.db2.gz KOGAWZXLGDPUBI-UHFFFAOYSA-N 2 2 298.434 3.385 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nc1C(C)C ZINC000361344974 381708879 /nfs/dbraw/zinc/70/88/79/381708879.db2.gz HHSNVEVFFCZKHS-MBNYWOFBSA-N 2 2 295.496 3.393 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361344974 381708884 /nfs/dbraw/zinc/70/88/84/381708884.db2.gz HHSNVEVFFCZKHS-MBNYWOFBSA-N 2 2 295.496 3.393 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361484005 381768923 /nfs/dbraw/zinc/76/89/23/381768923.db2.gz HDBRYYOUQZRSGU-ZIAGYGMSSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[N@@H+]1C ZINC000361762999 381868118 /nfs/dbraw/zinc/86/81/18/381868118.db2.gz GBBSSRQLIXLPAM-NFAWXSAZSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[N@H+]1C ZINC000361762999 381868126 /nfs/dbraw/zinc/86/81/26/381868126.db2.gz GBBSSRQLIXLPAM-NFAWXSAZSA-N 2 2 276.424 3.365 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226824603 542291929 /nfs/dbraw/zinc/29/19/29/542291929.db2.gz SQNSYQBECAWLOQ-JKSUJKDBSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226824603 542291932 /nfs/dbraw/zinc/29/19/32/542291932.db2.gz SQNSYQBECAWLOQ-JKSUJKDBSA-N 2 2 287.451 3.490 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000362510412 382027192 /nfs/dbraw/zinc/02/71/92/382027192.db2.gz KZQHFLNQFVWHIK-XHDPSFHLSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000362510412 382027196 /nfs/dbraw/zinc/02/71/96/382027196.db2.gz KZQHFLNQFVWHIK-XHDPSFHLSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510412 382027198 /nfs/dbraw/zinc/02/71/98/382027198.db2.gz KZQHFLNQFVWHIK-XHDPSFHLSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510412 382027201 /nfs/dbraw/zinc/02/72/01/382027201.db2.gz KZQHFLNQFVWHIK-XHDPSFHLSA-N 2 2 284.806 3.394 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC000234380544 542309042 /nfs/dbraw/zinc/30/90/42/542309042.db2.gz GJPUNVVQGKXCQL-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000234380544 542309046 /nfs/dbraw/zinc/30/90/46/542309046.db2.gz GJPUNVVQGKXCQL-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000235205533 542310804 /nfs/dbraw/zinc/31/08/04/542310804.db2.gz CUMRFLFSAKNBEN-NXEZZACHSA-N 2 2 258.818 3.194 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368689915 382379986 /nfs/dbraw/zinc/37/99/86/382379986.db2.gz WHZDBDKZOPHOGR-HZSPNIEDSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368689915 382379993 /nfs/dbraw/zinc/37/99/93/382379993.db2.gz WHZDBDKZOPHOGR-HZSPNIEDSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250463542 542343076 /nfs/dbraw/zinc/34/30/76/542343076.db2.gz CHLSAJOHOYPGON-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250463542 542343082 /nfs/dbraw/zinc/34/30/82/542343082.db2.gz CHLSAJOHOYPGON-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253162947 542351878 /nfs/dbraw/zinc/35/18/78/542351878.db2.gz WISRBDLCMBQCNZ-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253162947 542351880 /nfs/dbraw/zinc/35/18/80/542351880.db2.gz WISRBDLCMBQCNZ-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439491 533006836 /nfs/dbraw/zinc/00/68/36/533006836.db2.gz UYLFHSCCIATDPB-ZDUSSCGKSA-N 2 2 285.391 3.079 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306579 208156363 /nfs/dbraw/zinc/15/63/63/208156363.db2.gz HMNFJZJRGIIOID-XPTSAGLGSA-N 2 2 288.769 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306579 208156369 /nfs/dbraw/zinc/15/63/69/208156369.db2.gz HMNFJZJRGIIOID-XPTSAGLGSA-N 2 2 288.769 3.048 20 0 CGADLP CSc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000358048145 533039517 /nfs/dbraw/zinc/03/95/17/533039517.db2.gz LOWPJNRNDVQUBF-UHFFFAOYSA-N 2 2 287.432 3.442 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC000349931443 218955366 /nfs/dbraw/zinc/95/53/66/218955366.db2.gz HRTSQGJXZDKUAC-ZRMMWKCHSA-N 2 2 291.345 3.100 20 0 CGADLP CO[C@H](C)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000353777780 220324670 /nfs/dbraw/zinc/32/46/70/220324670.db2.gz XUJWCUDHOWBMKF-OAHLLOKOSA-N 2 2 287.407 3.118 20 0 CGADLP CO[C@H](C)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000353777780 220324673 /nfs/dbraw/zinc/32/46/73/220324673.db2.gz XUJWCUDHOWBMKF-OAHLLOKOSA-N 2 2 287.407 3.118 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423440538 533108515 /nfs/dbraw/zinc/10/85/15/533108515.db2.gz VRCSAVUEPGNKIG-KUHUBIRLSA-N 2 2 296.414 3.233 20 0 CGADLP CCCOc1ncccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289033783 197218405 /nfs/dbraw/zinc/21/84/05/197218405.db2.gz ABIRCDSNPWHGNU-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423241208 533176416 /nfs/dbraw/zinc/17/64/16/533176416.db2.gz LDBQBQNTYLDIPC-VCBZYWHSSA-N 2 2 298.430 3.477 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000309892721 542427024 /nfs/dbraw/zinc/42/70/24/542427024.db2.gz MZVQVGSUHSDOLZ-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000309892721 542427029 /nfs/dbraw/zinc/42/70/29/542427029.db2.gz MZVQVGSUHSDOLZ-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839554 542522711 /nfs/dbraw/zinc/52/27/11/542522711.db2.gz WUICJVPWUOLDBG-LSDHHAIUSA-N 2 2 270.380 3.173 20 0 CGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)CCC[NH2+]1 ZINC000423422448 533237761 /nfs/dbraw/zinc/23/77/61/533237761.db2.gz KOXPVYOXWZOGNZ-SJLPKXTDSA-N 2 2 290.451 3.031 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423341622 533438328 /nfs/dbraw/zinc/43/83/28/533438328.db2.gz MOHQCFYKXCUVFW-MLGOLLRUSA-N 2 2 293.480 3.062 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423558466 533517833 /nfs/dbraw/zinc/51/78/33/533517833.db2.gz NRRKJQBFHWXTKY-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000423503659 533537276 /nfs/dbraw/zinc/53/72/76/533537276.db2.gz GAKRVZUFCUOINJ-YMTOWFKASA-N 2 2 286.341 3.272 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423558468 533540882 /nfs/dbraw/zinc/54/08/82/533540882.db2.gz NRRKJQBFHWXTKY-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389156717 542606771 /nfs/dbraw/zinc/60/67/71/542606771.db2.gz KVEXQYDOIHJFBO-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389156717 542606773 /nfs/dbraw/zinc/60/67/73/542606773.db2.gz KVEXQYDOIHJFBO-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000394778826 542614670 /nfs/dbraw/zinc/61/46/70/542614670.db2.gz PXCBMGDDVXARHI-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350690 542637065 /nfs/dbraw/zinc/63/70/65/542637065.db2.gz UPYKUMCKBWHQNY-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350690 542637068 /nfs/dbraw/zinc/63/70/68/542637068.db2.gz UPYKUMCKBWHQNY-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000050401293 392065680 /nfs/dbraw/zinc/06/56/80/392065680.db2.gz ASNVLMYZEIHFAT-SJORKVTESA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000050401293 392065688 /nfs/dbraw/zinc/06/56/88/392065688.db2.gz ASNVLMYZEIHFAT-SJORKVTESA-N 2 2 260.425 3.429 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000071120365 392188199 /nfs/dbraw/zinc/18/81/99/392188199.db2.gz PRPUOJACFVMABH-HZPDHXFCSA-N 2 2 252.446 3.421 20 0 CGADLP CC1(C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000432823253 542653310 /nfs/dbraw/zinc/65/33/10/542653310.db2.gz JIASXSUSFVAVKH-HNNXBMFYSA-N 2 2 250.430 3.127 20 0 CGADLP CC1(C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000432823253 542653314 /nfs/dbraw/zinc/65/33/14/542653314.db2.gz JIASXSUSFVAVKH-HNNXBMFYSA-N 2 2 250.430 3.127 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565402 392396138 /nfs/dbraw/zinc/39/61/38/392396138.db2.gz PZJCBFCPLPVRGK-GJYPPUQNSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565402 392396145 /nfs/dbraw/zinc/39/61/45/392396145.db2.gz PZJCBFCPLPVRGK-GJYPPUQNSA-N 2 2 295.430 3.395 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000122314777 392420450 /nfs/dbraw/zinc/42/04/50/392420450.db2.gz QOHKWFJRWRUBIZ-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000122314777 392420456 /nfs/dbraw/zinc/42/04/56/392420456.db2.gz QOHKWFJRWRUBIZ-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccco1)CCC2 ZINC000366212773 392450915 /nfs/dbraw/zinc/45/09/15/392450915.db2.gz WRKBYOLDRGWWLV-CHWSQXEVSA-N 2 2 259.353 3.013 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000367057099 392464010 /nfs/dbraw/zinc/46/40/10/392464010.db2.gz FUDDWRQVDYTPMV-NVXWUHKLSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000367057099 392464016 /nfs/dbraw/zinc/46/40/16/392464016.db2.gz FUDDWRQVDYTPMV-NVXWUHKLSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000367057101 392464176 /nfs/dbraw/zinc/46/41/76/392464176.db2.gz FUDDWRQVDYTPMV-WBVHZDCISA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000367057101 392464178 /nfs/dbraw/zinc/46/41/78/392464178.db2.gz FUDDWRQVDYTPMV-WBVHZDCISA-N 2 2 287.451 3.182 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154602820 392535383 /nfs/dbraw/zinc/53/53/83/392535383.db2.gz PJRWSPFGXBOCJT-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154602820 392535392 /nfs/dbraw/zinc/53/53/92/392535392.db2.gz PJRWSPFGXBOCJT-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085890 392486731 /nfs/dbraw/zinc/48/67/31/392486731.db2.gz NMVDDLUWYFHLON-MAUKXSAKSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085890 392486738 /nfs/dbraw/zinc/48/67/38/392486738.db2.gz NMVDDLUWYFHLON-MAUKXSAKSA-N 2 2 296.418 3.279 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000161799624 392586874 /nfs/dbraw/zinc/58/68/74/392586874.db2.gz WBNBSGBBDWKUSV-INIZCTEOSA-N 2 2 293.430 3.383 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301984209 392605673 /nfs/dbraw/zinc/60/56/73/392605673.db2.gz KMMDVRLCAYPQDA-ZNMIVQPWSA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301984209 392605679 /nfs/dbraw/zinc/60/56/79/392605679.db2.gz KMMDVRLCAYPQDA-ZNMIVQPWSA-N 2 2 261.413 3.168 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373879556 392665622 /nfs/dbraw/zinc/66/56/22/392665622.db2.gz COPICYOFAUCFGO-DZGCQCFKSA-N 2 2 275.440 3.176 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000178064005 392670138 /nfs/dbraw/zinc/67/01/38/392670138.db2.gz UWDVSOADBHMDSF-WMZOPIPTSA-N 2 2 290.451 3.228 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372724181 392629853 /nfs/dbraw/zinc/62/98/53/392629853.db2.gz FBMLNZKARHKLSV-LLVKDONJSA-N 2 2 275.318 3.322 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372724181 392629857 /nfs/dbraw/zinc/62/98/57/392629857.db2.gz FBMLNZKARHKLSV-LLVKDONJSA-N 2 2 275.318 3.322 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000310035444 392658801 /nfs/dbraw/zinc/65/88/01/392658801.db2.gz TYWWPNANXNGNNJ-SECBINFHSA-N 2 2 255.774 3.366 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310752975 392660213 /nfs/dbraw/zinc/66/02/13/392660213.db2.gz KORZEWXHAVCLLN-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310752975 392660217 /nfs/dbraw/zinc/66/02/17/392660217.db2.gz KORZEWXHAVCLLN-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccoc3)cn21 ZINC000647364607 392707908 /nfs/dbraw/zinc/70/79/08/392707908.db2.gz GHVAQRJUMMIVAS-CYBMUJFWSA-N 2 2 269.348 3.129 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000647364777 392708309 /nfs/dbraw/zinc/70/83/09/392708309.db2.gz MCTSHCNCGAOLMA-HNNXBMFYSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000186927579 392786168 /nfs/dbraw/zinc/78/61/68/392786168.db2.gz IGEZACNTAXMQDY-YOEHRIQHSA-N 2 2 292.492 3.411 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccsc1 ZINC000187695257 392791621 /nfs/dbraw/zinc/79/16/21/392791621.db2.gz QTVVAEANNKMXGH-HOTGVXAUSA-N 2 2 296.480 3.290 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccsc1 ZINC000187695257 392791627 /nfs/dbraw/zinc/79/16/27/392791627.db2.gz QTVVAEANNKMXGH-HOTGVXAUSA-N 2 2 296.480 3.290 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188953288 392802920 /nfs/dbraw/zinc/80/29/20/392802920.db2.gz HRSRGJHRRFSNBU-KEYYUXOJSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188953288 392802926 /nfs/dbraw/zinc/80/29/26/392802926.db2.gz HRSRGJHRRFSNBU-KEYYUXOJSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1ccc(C2([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000647804299 392804883 /nfs/dbraw/zinc/80/48/83/392804883.db2.gz NOFKRDXNUJMABJ-HOCLYGCPSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1ccc(C2([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000647804298 392805214 /nfs/dbraw/zinc/80/52/14/392805214.db2.gz NOFKRDXNUJMABJ-GOEBONIOSA-N 2 2 258.409 3.104 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000510666599 392808119 /nfs/dbraw/zinc/80/81/19/392808119.db2.gz PVYCYPAOBCCWPX-CHWSQXEVSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000510666599 392808123 /nfs/dbraw/zinc/80/81/23/392808123.db2.gz PVYCYPAOBCCWPX-CHWSQXEVSA-N 2 2 296.405 3.358 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510667965 392808548 /nfs/dbraw/zinc/80/85/48/392808548.db2.gz RJMRKZFABYLQKG-CYBMUJFWSA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510667965 392808553 /nfs/dbraw/zinc/80/85/53/392808553.db2.gz RJMRKZFABYLQKG-CYBMUJFWSA-N 2 2 284.394 3.216 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nccc2ccccc21 ZINC000377798702 392889732 /nfs/dbraw/zinc/88/97/32/392889732.db2.gz LSOPGXQUQREHQO-JSGCOSHPSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1nccc2ccccc21 ZINC000377798702 392889744 /nfs/dbraw/zinc/88/97/44/392889744.db2.gz LSOPGXQUQREHQO-JSGCOSHPSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(O)c1 ZINC000192366087 392849235 /nfs/dbraw/zinc/84/92/35/392849235.db2.gz SHODPSXGQOZFGD-CQSZACIVSA-N 2 2 293.370 3.429 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000489884227 542715836 /nfs/dbraw/zinc/71/58/36/542715836.db2.gz MXLIDGZCRJVBMH-AXUOBQJMSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000489884227 542715840 /nfs/dbraw/zinc/71/58/40/542715840.db2.gz MXLIDGZCRJVBMH-AXUOBQJMSA-N 2 2 284.447 3.428 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691528 542733318 /nfs/dbraw/zinc/73/33/18/542733318.db2.gz VFQONNKKRRJOBE-ROUUACIJSA-N 2 2 283.419 3.456 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000534884300 542750284 /nfs/dbraw/zinc/75/02/84/542750284.db2.gz SHVUBDLRGAHUNI-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212415 542747514 /nfs/dbraw/zinc/74/75/14/542747514.db2.gz GLBNDRIOCOXGKF-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212415 542747520 /nfs/dbraw/zinc/74/75/20/542747520.db2.gz GLBNDRIOCOXGKF-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000341761775 392992307 /nfs/dbraw/zinc/99/23/07/392992307.db2.gz SEDFBHWOGARSDV-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000341761775 392992314 /nfs/dbraw/zinc/99/23/14/392992314.db2.gz SEDFBHWOGARSDV-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473532 393031998 /nfs/dbraw/zinc/03/19/98/393031998.db2.gz KWCLIQYYZHZJDR-ZBFGXGADSA-N 2 2 296.817 3.265 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473532 393032008 /nfs/dbraw/zinc/03/20/08/393032008.db2.gz KWCLIQYYZHZJDR-ZBFGXGADSA-N 2 2 296.817 3.265 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CC2CCCC2)CC1 ZINC000545865159 393011149 /nfs/dbraw/zinc/01/11/49/393011149.db2.gz FVQSEVHJHXGIKB-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC2CCCC2)CC1 ZINC000545865159 393011156 /nfs/dbraw/zinc/01/11/56/393011156.db2.gz FVQSEVHJHXGIKB-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415014946 393096352 /nfs/dbraw/zinc/09/63/52/393096352.db2.gz MMXMMFBAIWMKJN-YUMQZZPRSA-N 2 2 280.721 3.184 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)ccc2c1 ZINC000415030938 393105328 /nfs/dbraw/zinc/10/53/28/393105328.db2.gz DEPRCTNGADPJLJ-QGZVFWFLSA-N 2 2 284.403 3.079 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414976654 393075359 /nfs/dbraw/zinc/07/53/59/393075359.db2.gz ISWDMZDHOOXHDQ-MRXNPFEDSA-N 2 2 272.367 3.320 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414985682 393080401 /nfs/dbraw/zinc/08/04/01/393080401.db2.gz WNWFVVMAQHIEPJ-GFCCVEGCSA-N 2 2 294.345 3.268 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000415057817 393119301 /nfs/dbraw/zinc/11/93/01/393119301.db2.gz UMCGQKHXSYTFHM-CYBMUJFWSA-N 2 2 281.469 3.264 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000415063789 393123468 /nfs/dbraw/zinc/12/34/68/393123468.db2.gz AYVBRQNFBIXKIS-ZDUSSCGKSA-N 2 2 290.304 3.076 20 0 CGADLP Fc1cc(-c2ccncc2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071061 393128303 /nfs/dbraw/zinc/12/83/03/393128303.db2.gz SCVSUUIRGLTFCT-KRWDZBQOSA-N 2 2 299.393 3.119 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415076215 393131599 /nfs/dbraw/zinc/13/15/99/393131599.db2.gz RRVRXYLDSLGTJM-CQSZACIVSA-N 2 2 264.438 3.030 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1C1CC1 ZINC000415085867 393139127 /nfs/dbraw/zinc/13/91/27/393139127.db2.gz TYTHREHRGCHXRJ-BFHYXJOUSA-N 2 2 291.464 3.031 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)co2)cc1 ZINC000261934764 393142948 /nfs/dbraw/zinc/14/29/48/393142948.db2.gz KDXZSKNXZFERTK-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)co2)cc1 ZINC000261934764 393142953 /nfs/dbraw/zinc/14/29/53/393142953.db2.gz KDXZSKNXZFERTK-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CCC[N@@H+]1C ZINC000349701383 393152849 /nfs/dbraw/zinc/15/28/49/393152849.db2.gz WTVZBENZVBHTRQ-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CCC[N@H+]1C ZINC000349701383 393152856 /nfs/dbraw/zinc/15/28/56/393152856.db2.gz WTVZBENZVBHTRQ-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)CCC2 ZINC000353512486 393223603 /nfs/dbraw/zinc/22/36/03/393223603.db2.gz CWQPKZNUSXHKEH-KKUMJFAQSA-N 2 2 279.403 3.187 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)o1 ZINC000353593651 393226992 /nfs/dbraw/zinc/22/69/92/393226992.db2.gz DIAKLUKTSMFSIH-DYVFJYSZSA-N 2 2 285.391 3.299 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CCC2)o1 ZINC000353593651 393227000 /nfs/dbraw/zinc/22/70/00/393227000.db2.gz DIAKLUKTSMFSIH-DYVFJYSZSA-N 2 2 285.391 3.299 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353624404 393227849 /nfs/dbraw/zinc/22/78/49/393227849.db2.gz QGENHTCUHIHTRC-WQGACYEGSA-N 2 2 267.376 3.105 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353624404 393227860 /nfs/dbraw/zinc/22/78/60/393227860.db2.gz QGENHTCUHIHTRC-WQGACYEGSA-N 2 2 267.376 3.105 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1CCSCC1)CCC2 ZINC000354482825 393245464 /nfs/dbraw/zinc/24/54/64/393245464.db2.gz UMMHHSMCVDGAMR-ZFWWWQNUSA-N 2 2 293.480 3.190 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000278886386 393327527 /nfs/dbraw/zinc/32/75/27/393327527.db2.gz YGXJCSLWITXVQK-BVGQSLNGSA-N 2 2 285.435 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000278886386 393327535 /nfs/dbraw/zinc/32/75/35/393327535.db2.gz YGXJCSLWITXVQK-BVGQSLNGSA-N 2 2 285.435 3.006 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356210393 393382196 /nfs/dbraw/zinc/38/21/96/393382196.db2.gz DWGQVSTWDABSGS-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356210393 393382203 /nfs/dbraw/zinc/38/22/03/393382203.db2.gz DWGQVSTWDABSGS-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216103 393382902 /nfs/dbraw/zinc/38/29/02/393382902.db2.gz MXGHKEURXABBLW-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216103 393382907 /nfs/dbraw/zinc/38/29/07/393382907.db2.gz MXGHKEURXABBLW-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP FC1(F)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000647206235 393386932 /nfs/dbraw/zinc/38/69/32/393386932.db2.gz MAJACFRDWYZYSH-AWEZNQCLSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000647206235 393386940 /nfs/dbraw/zinc/38/69/40/393386940.db2.gz MAJACFRDWYZYSH-AWEZNQCLSA-N 2 2 272.383 3.171 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000279773379 393336044 /nfs/dbraw/zinc/33/60/44/393336044.db2.gz SNOASYXTYKNOHY-ATLSCFEFSA-N 2 2 290.451 3.081 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000279773379 393336052 /nfs/dbraw/zinc/33/60/52/393336052.db2.gz SNOASYXTYKNOHY-ATLSCFEFSA-N 2 2 290.451 3.081 20 0 CGADLP CCSCC[NH2+]C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000355735472 393337463 /nfs/dbraw/zinc/33/74/63/393337463.db2.gz NRNBWPQCJLQZRU-MRXNPFEDSA-N 2 2 280.481 3.194 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000474724145 393344217 /nfs/dbraw/zinc/34/42/17/393344217.db2.gz AVPPWTDSHGWPSJ-IJEWVQPXSA-N 2 2 288.435 3.014 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000474724145 393344222 /nfs/dbraw/zinc/34/42/22/393344222.db2.gz AVPPWTDSHGWPSJ-IJEWVQPXSA-N 2 2 288.435 3.014 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1[NH3+] ZINC000649416518 393417299 /nfs/dbraw/zinc/41/72/99/393417299.db2.gz CRENCCUHDNDODF-DOMZBBRYSA-N 2 2 293.480 3.360 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1[NH3+] ZINC000649416518 393417304 /nfs/dbraw/zinc/41/73/04/393417304.db2.gz CRENCCUHDNDODF-DOMZBBRYSA-N 2 2 293.480 3.360 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000647257708 393417975 /nfs/dbraw/zinc/41/79/75/393417975.db2.gz USACZOJLYLAJCN-SGMGOOAPSA-N 2 2 290.373 3.181 20 0 CGADLP CCCCc1nc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000420380229 393480421 /nfs/dbraw/zinc/48/04/21/393480421.db2.gz YFSBCBWHRNMJOY-HNNXBMFYSA-N 2 2 295.496 3.483 20 0 CGADLP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649437213 393429002 /nfs/dbraw/zinc/42/90/02/393429002.db2.gz HZUJZVKXTPQCGS-INIZCTEOSA-N 2 2 269.392 3.462 20 0 CGADLP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649437213 393429006 /nfs/dbraw/zinc/42/90/06/393429006.db2.gz HZUJZVKXTPQCGS-INIZCTEOSA-N 2 2 269.392 3.462 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000484501402 393445089 /nfs/dbraw/zinc/44/50/89/393445089.db2.gz DTBBSJYYGYRPKM-SDADXPQNSA-N 2 2 252.446 3.274 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000484501402 393445092 /nfs/dbraw/zinc/44/50/92/393445092.db2.gz DTBBSJYYGYRPKM-SDADXPQNSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)CCC2 ZINC000487277900 393451401 /nfs/dbraw/zinc/45/14/01/393451401.db2.gz MZNNMKFLTIZGCJ-MELADBBJSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420300104 393455636 /nfs/dbraw/zinc/45/56/36/393455636.db2.gz HEFDJAKFXLOZPU-SECBINFHSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420300104 393455643 /nfs/dbraw/zinc/45/56/43/393455643.db2.gz HEFDJAKFXLOZPU-SECBINFHSA-N 2 2 273.207 3.305 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000427702018 393457590 /nfs/dbraw/zinc/45/75/90/393457590.db2.gz POXAZMBEZHPWSX-MNEFBYGVSA-N 2 2 286.463 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000427702018 393457597 /nfs/dbraw/zinc/45/75/97/393457597.db2.gz POXAZMBEZHPWSX-MNEFBYGVSA-N 2 2 286.463 3.326 20 0 CGADLP Cc1ccc(-c2cnc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)o2)cc1 ZINC000420360348 393474427 /nfs/dbraw/zinc/47/44/27/393474427.db2.gz LDBXSVNNGSVFSW-INIZCTEOSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359968 393475019 /nfs/dbraw/zinc/47/50/19/393475019.db2.gz LIMRRRWYKZYXDD-ZJUUUORDSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359968 393475024 /nfs/dbraw/zinc/47/50/24/393475024.db2.gz LIMRRRWYKZYXDD-ZJUUUORDSA-N 2 2 291.222 3.040 20 0 CGADLP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CC[NH3+])c1 ZINC000420378490 393478678 /nfs/dbraw/zinc/47/86/78/393478678.db2.gz UOIDPADJGDGKCN-OALUTQOASA-N 2 2 296.414 3.185 20 0 CGADLP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2CC[NH3+])c1 ZINC000420378490 393478681 /nfs/dbraw/zinc/47/86/81/393478681.db2.gz UOIDPADJGDGKCN-OALUTQOASA-N 2 2 296.414 3.185 20 0 CGADLP CC(C)C1CC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000488445147 393515534 /nfs/dbraw/zinc/51/55/34/393515534.db2.gz IYVVPDRFUWBMDS-UHFFFAOYSA-N 2 2 286.463 3.110 20 0 CGADLP CC(C)C1CC([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000488460172 393522628 /nfs/dbraw/zinc/52/26/28/393522628.db2.gz JVHAZUBQRIUOFK-ABHNRTSZSA-N 2 2 274.452 3.184 20 0 CGADLP CSC[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430191198 393534422 /nfs/dbraw/zinc/53/44/22/393534422.db2.gz FRJWYCLRLMTJHT-MRXNPFEDSA-N 2 2 278.465 3.398 20 0 CGADLP CSC[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430191198 393534424 /nfs/dbraw/zinc/53/44/24/393534424.db2.gz FRJWYCLRLMTJHT-MRXNPFEDSA-N 2 2 278.465 3.398 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000666640979 542804995 /nfs/dbraw/zinc/80/49/95/542804995.db2.gz RHMDMHAXQFENSH-HZPDHXFCSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000666640979 542804997 /nfs/dbraw/zinc/80/49/97/542804997.db2.gz RHMDMHAXQFENSH-HZPDHXFCSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccsc1 ZINC000421014985 393574277 /nfs/dbraw/zinc/57/42/77/393574277.db2.gz SNXZILUNBVTJEV-ZDUSSCGKSA-N 2 2 263.410 3.416 20 0 CGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccsc1 ZINC000421014985 393574282 /nfs/dbraw/zinc/57/42/82/393574282.db2.gz SNXZILUNBVTJEV-ZDUSSCGKSA-N 2 2 263.410 3.416 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[NH2+]CC2)nc1-c1ccccc1 ZINC000666855478 542820979 /nfs/dbraw/zinc/82/09/79/542820979.db2.gz UUYPWTIGOSYWJR-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360858721 393599775 /nfs/dbraw/zinc/59/97/75/393599775.db2.gz LYUMXALHRTYIBB-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360858721 393599782 /nfs/dbraw/zinc/59/97/82/393599782.db2.gz LYUMXALHRTYIBB-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863079 393601561 /nfs/dbraw/zinc/60/15/61/393601561.db2.gz YUPYEMXSRDNYLD-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863079 393601567 /nfs/dbraw/zinc/60/15/67/393601567.db2.gz YUPYEMXSRDNYLD-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576329 393578750 /nfs/dbraw/zinc/57/87/50/393578750.db2.gz XADHUBJVGFHVKR-TZMCWYRMSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576329 393578757 /nfs/dbraw/zinc/57/87/57/393578757.db2.gz XADHUBJVGFHVKR-TZMCWYRMSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000360769883 393585953 /nfs/dbraw/zinc/58/59/53/393585953.db2.gz CUEBKTXEZFLNLA-QLFBSQMISA-N 2 2 271.408 3.496 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489798714 393615134 /nfs/dbraw/zinc/61/51/34/393615134.db2.gz YJAVXZDGKGNDQA-RANZSIQMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489798714 393615138 /nfs/dbraw/zinc/61/51/38/393615138.db2.gz YJAVXZDGKGNDQA-RANZSIQMSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000489825826 393615378 /nfs/dbraw/zinc/61/53/78/393615378.db2.gz HOWFXZVKDARKMB-HRSCSKTISA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000489825826 393615382 /nfs/dbraw/zinc/61/53/82/393615382.db2.gz HOWFXZVKDARKMB-HRSCSKTISA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000432833433 393650088 /nfs/dbraw/zinc/65/00/88/393650088.db2.gz WPYVZDIHEKCIQC-SOLBZPMBSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000432833433 393650092 /nfs/dbraw/zinc/65/00/92/393650092.db2.gz WPYVZDIHEKCIQC-SOLBZPMBSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000432833433 393650098 /nfs/dbraw/zinc/65/00/98/393650098.db2.gz WPYVZDIHEKCIQC-SOLBZPMBSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833433 393650100 /nfs/dbraw/zinc/65/01/00/393650100.db2.gz WPYVZDIHEKCIQC-SOLBZPMBSA-N 2 2 294.483 3.140 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232206 393656035 /nfs/dbraw/zinc/65/60/35/393656035.db2.gz HUYSAOJKXLDDJC-CXAGYDPISA-N 2 2 283.419 3.195 20 0 CGADLP COCCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063471 393663733 /nfs/dbraw/zinc/66/37/33/393663733.db2.gz QYBYVBOOGVMWOS-UHFFFAOYSA-N 2 2 293.455 3.192 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000423378171 393665098 /nfs/dbraw/zinc/66/50/98/393665098.db2.gz ZKANTRLJWXANHA-PKFCDNJMSA-N 2 2 270.779 3.128 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423403126 393665609 /nfs/dbraw/zinc/66/56/09/393665609.db2.gz YUSYOEKUZBQSKQ-WBVHZDCISA-N 2 2 288.435 3.137 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@@H+]1C ZINC000491214741 393672964 /nfs/dbraw/zinc/67/29/64/393672964.db2.gz ZJPVSKYFEMIQCC-KBXCAEBGSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@H+]1C ZINC000491214741 393672969 /nfs/dbraw/zinc/67/29/69/393672969.db2.gz ZJPVSKYFEMIQCC-KBXCAEBGSA-N 2 2 272.436 3.138 20 0 CGADLP CN(C)c1[nH+]cccc1CNc1cc[nH+]c2ccsc21 ZINC000361162032 393690034 /nfs/dbraw/zinc/69/00/34/393690034.db2.gz QCNACGOTIWHVQM-UHFFFAOYSA-N 2 2 284.388 3.369 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000443780036 393772167 /nfs/dbraw/zinc/77/21/67/393772167.db2.gz KLBUQTKAWQDQEE-JZXOWHBKSA-N 2 2 290.451 3.002 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000494426765 393775607 /nfs/dbraw/zinc/77/56/07/393775607.db2.gz CMWFJNRARSGARE-QXSJWSMHSA-N 2 2 275.440 3.248 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000447581687 393865660 /nfs/dbraw/zinc/86/56/60/393865660.db2.gz UUNAIMWBZWLMSI-OAHLLOKOSA-N 2 2 264.457 3.421 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000447581687 393865664 /nfs/dbraw/zinc/86/56/64/393865664.db2.gz UUNAIMWBZWLMSI-OAHLLOKOSA-N 2 2 264.457 3.421 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000502022052 393866465 /nfs/dbraw/zinc/86/64/65/393866465.db2.gz XYEUIKOEWZQSSW-HUUCEWRRSA-N 2 2 261.413 3.442 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000503022240 393889983 /nfs/dbraw/zinc/88/99/83/393889983.db2.gz IOQFLQPYYBLLGK-RCCFBDPRSA-N 2 2 274.452 3.356 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000446851127 393862544 /nfs/dbraw/zinc/86/25/44/393862544.db2.gz AUSHXNVIODMPRH-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000446851127 393862547 /nfs/dbraw/zinc/86/25/47/393862547.db2.gz AUSHXNVIODMPRH-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667462819 542870548 /nfs/dbraw/zinc/87/05/48/542870548.db2.gz VTFVJHFWLGVYCM-QGZVFWFLSA-N 2 2 297.402 3.175 20 0 CGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667462819 542870550 /nfs/dbraw/zinc/87/05/50/542870550.db2.gz VTFVJHFWLGVYCM-QGZVFWFLSA-N 2 2 297.402 3.175 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453206442 394204921 /nfs/dbraw/zinc/20/49/21/394204921.db2.gz VJHKQSUAEQFUSA-CHWSQXEVSA-N 2 2 261.394 3.000 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccccc3)CC2)n1C ZINC000667494160 542877206 /nfs/dbraw/zinc/87/72/06/542877206.db2.gz OXVYYHRHFHPWHK-UHFFFAOYSA-N 2 2 269.392 3.108 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667600249 542896642 /nfs/dbraw/zinc/89/66/42/542896642.db2.gz PSIVRTQQRKQXQX-QGZVFWFLSA-N 2 2 299.418 3.464 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667600249 542896644 /nfs/dbraw/zinc/89/66/44/542896644.db2.gz PSIVRTQQRKQXQX-QGZVFWFLSA-N 2 2 299.418 3.464 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000667667664 542911559 /nfs/dbraw/zinc/91/15/59/542911559.db2.gz STZMCGCRNRBBSY-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@H+]1C ZINC000667667664 542911560 /nfs/dbraw/zinc/91/15/60/542911560.db2.gz STZMCGCRNRBBSY-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667664 542911563 /nfs/dbraw/zinc/91/15/63/542911563.db2.gz STZMCGCRNRBBSY-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667664 542911565 /nfs/dbraw/zinc/91/15/65/542911565.db2.gz STZMCGCRNRBBSY-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1C ZINC000667675783 542913647 /nfs/dbraw/zinc/91/36/47/542913647.db2.gz WKEDVMQCCKONBV-PXAZEXFGSA-N 2 2 287.382 3.451 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]2C ZINC000667963040 542950779 /nfs/dbraw/zinc/95/07/79/542950779.db2.gz AERFQOJNNBAKJS-QWHCGFSZSA-N 2 2 299.418 3.245 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]2C ZINC000667963040 542950780 /nfs/dbraw/zinc/95/07/80/542950780.db2.gz AERFQOJNNBAKJS-QWHCGFSZSA-N 2 2 299.418 3.245 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172040 542980694 /nfs/dbraw/zinc/98/06/94/542980694.db2.gz BXYSPUNPQOWXCW-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172040 542980696 /nfs/dbraw/zinc/98/06/96/542980696.db2.gz BXYSPUNPQOWXCW-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172040 542980698 /nfs/dbraw/zinc/98/06/98/542980698.db2.gz BXYSPUNPQOWXCW-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172040 542980699 /nfs/dbraw/zinc/98/06/99/542980699.db2.gz BXYSPUNPQOWXCW-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000423378382 285622102 /nfs/dbraw/zinc/62/21/02/285622102.db2.gz KXGZADTZNPHPLT-OLZOCXBDSA-N 2 2 266.454 3.447 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@]2(C)CC2(F)F)c[nH+]1 ZINC000668583359 543030748 /nfs/dbraw/zinc/03/07/48/543030748.db2.gz FSIGPADUDDBYHM-CQSZACIVSA-N 2 2 268.351 3.348 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)[nH+]1 ZINC000668630732 543039050 /nfs/dbraw/zinc/03/90/50/543039050.db2.gz LDIVZCHAJUFQQG-NVXWUHKLSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)[nH+]1 ZINC000668630732 543039054 /nfs/dbraw/zinc/03/90/54/543039054.db2.gz LDIVZCHAJUFQQG-NVXWUHKLSA-N 2 2 299.418 3.115 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000670154577 543142146 /nfs/dbraw/zinc/14/21/46/543142146.db2.gz WPYPCIXSPIWERC-IAGOWNOFSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000670154577 543142147 /nfs/dbraw/zinc/14/21/47/543142147.db2.gz WPYPCIXSPIWERC-IAGOWNOFSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262653 543145723 /nfs/dbraw/zinc/14/57/23/543145723.db2.gz WTDJSDYLEYEWTA-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262653 543145729 /nfs/dbraw/zinc/14/57/29/543145729.db2.gz WTDJSDYLEYEWTA-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000671708573 543179296 /nfs/dbraw/zinc/17/92/96/543179296.db2.gz CJYMTRJXUZTUOM-YLSAJCSVSA-N 2 2 292.373 3.052 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000671708573 543179297 /nfs/dbraw/zinc/17/92/97/543179297.db2.gz CJYMTRJXUZTUOM-YLSAJCSVSA-N 2 2 292.373 3.052 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916007 397609946 /nfs/dbraw/zinc/60/99/46/397609946.db2.gz PZIHBZWQIDWHJD-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916007 397609948 /nfs/dbraw/zinc/60/99/48/397609948.db2.gz PZIHBZWQIDWHJD-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349376 397710060 /nfs/dbraw/zinc/71/00/60/397710060.db2.gz ATGWRNLPIJCEEZ-ZFWWWQNUSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349376 397710062 /nfs/dbraw/zinc/71/00/62/397710062.db2.gz ATGWRNLPIJCEEZ-ZFWWWQNUSA-N 2 2 252.446 3.133 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCC1 ZINC000366790383 292126078 /nfs/dbraw/zinc/12/60/78/292126078.db2.gz AHLNOYFIHPWQSD-DZGCQCFKSA-N 2 2 291.439 3.006 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710474 397898468 /nfs/dbraw/zinc/89/84/68/397898468.db2.gz PQRLEBPBLGHUEB-SJORKVTESA-N 3 2 295.515 3.151 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710474 397898470 /nfs/dbraw/zinc/89/84/70/397898470.db2.gz PQRLEBPBLGHUEB-SJORKVTESA-N 3 2 295.515 3.151 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000650763816 397912873 /nfs/dbraw/zinc/91/28/73/397912873.db2.gz KCRNQHWSZAUZRK-SMDDNHRTSA-N 2 2 298.352 3.425 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000674677658 543293574 /nfs/dbraw/zinc/29/35/74/543293574.db2.gz QFUNZGADVFTWIK-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000674677658 543293575 /nfs/dbraw/zinc/29/35/75/543293575.db2.gz QFUNZGADVFTWIK-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766920 543362545 /nfs/dbraw/zinc/36/25/45/543362545.db2.gz QSNFHMJUPCWUKH-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766920 543362548 /nfs/dbraw/zinc/36/25/48/543362548.db2.gz QSNFHMJUPCWUKH-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766614 543362613 /nfs/dbraw/zinc/36/26/13/543362613.db2.gz MJMHZUSOLIIFGS-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766614 543362615 /nfs/dbraw/zinc/36/26/15/543362615.db2.gz MJMHZUSOLIIFGS-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000675768480 543362891 /nfs/dbraw/zinc/36/28/91/543362891.db2.gz YPDSUHZSKVNSQO-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000675768480 543362893 /nfs/dbraw/zinc/36/28/93/543362893.db2.gz YPDSUHZSKVNSQO-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000675732737 543358856 /nfs/dbraw/zinc/35/88/56/543358856.db2.gz FHAHPTONZJQGKW-AEFFLSMTSA-N 2 2 286.463 3.451 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000675732737 543358857 /nfs/dbraw/zinc/35/88/57/543358857.db2.gz FHAHPTONZJQGKW-AEFFLSMTSA-N 2 2 286.463 3.451 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675834482 543368520 /nfs/dbraw/zinc/36/85/20/543368520.db2.gz UUCBUHUBLHOZIO-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675834482 543368522 /nfs/dbraw/zinc/36/85/22/543368522.db2.gz UUCBUHUBLHOZIO-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccs1 ZINC000675924126 543374273 /nfs/dbraw/zinc/37/42/73/543374273.db2.gz CTPMMALDNPTHRK-OLZOCXBDSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccs1 ZINC000675924126 543374276 /nfs/dbraw/zinc/37/42/76/543374276.db2.gz CTPMMALDNPTHRK-OLZOCXBDSA-N 2 2 252.427 3.131 20 0 CGADLP Cn1c2ccccc2[nH+]c1NCC[NH+]1Cc2ccccc2C1 ZINC000677807128 543466479 /nfs/dbraw/zinc/46/64/79/543466479.db2.gz ABVKINUPSMGPPQ-UHFFFAOYSA-N 2 2 292.386 3.001 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188783 543492068 /nfs/dbraw/zinc/49/20/68/543492068.db2.gz LLPXZIXUTBGJJP-LSDHHAIUSA-N 2 2 297.402 3.155 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188783 543492070 /nfs/dbraw/zinc/49/20/70/543492070.db2.gz LLPXZIXUTBGJJP-LSDHHAIUSA-N 2 2 297.402 3.155 20 0 CGADLP CC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000678594472 543539809 /nfs/dbraw/zinc/53/98/09/543539809.db2.gz GRIHWMIUQMFATF-PREGVCBESA-N 2 2 272.436 3.428 20 0 CGADLP CC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000678594472 543539811 /nfs/dbraw/zinc/53/98/11/543539811.db2.gz GRIHWMIUQMFATF-PREGVCBESA-N 2 2 272.436 3.428 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000678927378 543572020 /nfs/dbraw/zinc/57/20/20/543572020.db2.gz IQLYTBPAGLKUJI-SJLPKXTDSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000678927378 543572022 /nfs/dbraw/zinc/57/20/22/543572022.db2.gz IQLYTBPAGLKUJI-SJLPKXTDSA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000554074395 289255663 /nfs/dbraw/zinc/25/56/63/289255663.db2.gz WRPFOVISBQWMDL-BMFZPTHFSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000554074395 289255667 /nfs/dbraw/zinc/25/56/67/289255667.db2.gz WRPFOVISBQWMDL-BMFZPTHFSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423212216 292261077 /nfs/dbraw/zinc/26/10/77/292261077.db2.gz JLBJTPIFDOAARC-DLBZAZTESA-N 2 2 258.409 3.178 20 0 CGADLP COCCCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359024857 292325785 /nfs/dbraw/zinc/32/57/85/292325785.db2.gz BIMHNHURYTXBBD-RYQLBKOJSA-N 2 2 290.451 3.084 20 0 CGADLP COCCCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359024857 292325786 /nfs/dbraw/zinc/32/57/86/292325786.db2.gz BIMHNHURYTXBBD-RYQLBKOJSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000558228160 289479750 /nfs/dbraw/zinc/47/97/50/289479750.db2.gz PMJXLYXHMLRDFC-HYVNUMGLSA-N 2 2 260.425 3.376 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000072861492 165074827 /nfs/dbraw/zinc/07/48/27/165074827.db2.gz GSZCHQYLBZEOTC-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000072861492 165074829 /nfs/dbraw/zinc/07/48/29/165074829.db2.gz GSZCHQYLBZEOTC-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP c1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000075834929 165106267 /nfs/dbraw/zinc/10/62/67/165106267.db2.gz JAPFUDBHYCYNED-OAHLLOKOSA-N 2 2 299.418 3.136 20 0 CGADLP c1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000075834929 165106268 /nfs/dbraw/zinc/10/62/68/165106268.db2.gz JAPFUDBHYCYNED-OAHLLOKOSA-N 2 2 299.418 3.136 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]c2ccccc2n1C ZINC000079043974 165143557 /nfs/dbraw/zinc/14/35/57/165143557.db2.gz DABFGECNJAPHLO-CQSZACIVSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]c2ccccc2n1C ZINC000079043974 165143560 /nfs/dbraw/zinc/14/35/60/165143560.db2.gz DABFGECNJAPHLO-CQSZACIVSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573163 165164959 /nfs/dbraw/zinc/16/49/59/165164959.db2.gz YBZVEDJLPBHONF-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573163 165164962 /nfs/dbraw/zinc/16/49/62/165164962.db2.gz YBZVEDJLPBHONF-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003514 165224076 /nfs/dbraw/zinc/22/40/76/165224076.db2.gz OQWNMFFKXOAWRD-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003514 165224080 /nfs/dbraw/zinc/22/40/80/165224080.db2.gz OQWNMFFKXOAWRD-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccco2)n1-c1ccccc1 ZINC000092128786 165282812 /nfs/dbraw/zinc/28/28/12/165282812.db2.gz UDCVJVNGAIFNSD-UHFFFAOYSA-N 2 2 281.359 3.106 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCCC1)CCC2 ZINC000092383844 165295582 /nfs/dbraw/zinc/29/55/82/165295582.db2.gz YSRYOBZQPHXLON-GOSISDBHSA-N 2 2 288.435 3.148 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092648509 165307234 /nfs/dbraw/zinc/30/72/34/165307234.db2.gz VSMYBIKBQAFCLP-UHFFFAOYSA-N 2 2 261.394 3.090 20 0 CGADLP CC[C@H](C)C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000093053078 165319701 /nfs/dbraw/zinc/31/97/01/165319701.db2.gz ALCMSBQJEGBBSV-ZDUSSCGKSA-N 2 2 259.397 3.371 20 0 CGADLP CC[C@H](C)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000093055998 165320699 /nfs/dbraw/zinc/32/06/99/165320699.db2.gz OGYWWBLUARINHF-AWEZNQCLSA-N 2 2 257.381 3.067 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccoc1 ZINC000094867459 287122724 /nfs/dbraw/zinc/12/27/24/287122724.db2.gz DUQRVCOUMZPDPJ-OAHLLOKOSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccoc1 ZINC000094867459 287122727 /nfs/dbraw/zinc/12/27/27/287122727.db2.gz DUQRVCOUMZPDPJ-OAHLLOKOSA-N 2 2 272.392 3.452 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccoc1 ZINC000094867719 287122902 /nfs/dbraw/zinc/12/29/02/287122902.db2.gz GYLQQRRUHCOUJX-GFCCVEGCSA-N 2 2 269.348 3.289 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCC1 ZINC000177989013 165620353 /nfs/dbraw/zinc/62/03/53/165620353.db2.gz VCKBRSZGGDXVLG-CQSZACIVSA-N 2 2 282.497 3.126 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC000118991974 287163408 /nfs/dbraw/zinc/16/34/08/287163408.db2.gz UFLRECKCACAYBJ-SJORKVTESA-N 2 2 260.425 3.376 20 0 CGADLP C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126197183 287259305 /nfs/dbraw/zinc/25/93/05/287259305.db2.gz OQSYMMPAYAXKTP-CQSZACIVSA-N 2 2 280.375 3.062 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407819 196275099 /nfs/dbraw/zinc/27/50/99/196275099.db2.gz FPSVRSJVJVQXJU-XJKSGUPXSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407819 196275101 /nfs/dbraw/zinc/27/51/01/196275101.db2.gz FPSVRSJVJVQXJU-XJKSGUPXSA-N 2 2 283.419 3.191 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccs1 ZINC000285592612 196337406 /nfs/dbraw/zinc/33/74/06/196337406.db2.gz JFXKVVWKRDZQKY-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccs1 ZINC000285592612 196337407 /nfs/dbraw/zinc/33/74/07/196337407.db2.gz JFXKVVWKRDZQKY-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1cccs1)Cc1ccco1 ZINC000285592612 196337409 /nfs/dbraw/zinc/33/74/09/196337409.db2.gz JFXKVVWKRDZQKY-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1cccs1)Cc1ccco1 ZINC000285592612 196337411 /nfs/dbraw/zinc/33/74/11/196337411.db2.gz JFXKVVWKRDZQKY-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000037213691 173034555 /nfs/dbraw/zinc/03/45/55/173034555.db2.gz GDINIPHDPUNTEX-SNVBAGLBSA-N 2 2 258.768 3.081 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028595 174017562 /nfs/dbraw/zinc/01/75/62/174017562.db2.gz BJZMMFXKNKKFQZ-CVEARBPZSA-N 2 2 290.451 3.177 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000038028900 174018427 /nfs/dbraw/zinc/01/84/27/174018427.db2.gz DSYBCGIOGBKPCJ-ZLPCBKJTSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1cccc2ccccc21 ZINC000038088786 174102640 /nfs/dbraw/zinc/10/26/40/174102640.db2.gz IOSYRLAKWURPRJ-KBPBESRZSA-N 2 2 256.393 3.441 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000038090889 174105113 /nfs/dbraw/zinc/10/51/13/174105113.db2.gz LWVKENAIHMWQHC-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP c1ccc(C([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000043324457 175006942 /nfs/dbraw/zinc/00/69/42/175006942.db2.gz GMJHJUKUTAXLHJ-KRWDZBQOSA-N 2 2 266.388 3.118 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450450897 287300688 /nfs/dbraw/zinc/30/06/88/287300688.db2.gz IDYXDCDOOAVFQO-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450450897 287300689 /nfs/dbraw/zinc/30/06/89/287300689.db2.gz IDYXDCDOOAVFQO-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450450897 287300690 /nfs/dbraw/zinc/30/06/90/287300690.db2.gz IDYXDCDOOAVFQO-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450450897 287300691 /nfs/dbraw/zinc/30/06/91/287300691.db2.gz IDYXDCDOOAVFQO-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C[N@@H+]1C1CC1 ZINC000128059084 287302411 /nfs/dbraw/zinc/30/24/11/287302411.db2.gz LFLAJJQXAKGOQJ-SGPHBRAGSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C[N@H+]1C1CC1 ZINC000128059084 287302417 /nfs/dbraw/zinc/30/24/17/287302417.db2.gz LFLAJJQXAKGOQJ-SGPHBRAGSA-N 2 2 250.430 3.026 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000128261232 287307208 /nfs/dbraw/zinc/30/72/08/287307208.db2.gz CRRUHTGFXSNRAK-HOTGVXAUSA-N 2 2 290.451 3.263 20 0 CGADLP CCOC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000128452948 287311452 /nfs/dbraw/zinc/31/14/52/287311452.db2.gz YSNQPIMZJDVZFO-MRXNPFEDSA-N 2 2 282.472 3.190 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000128608883 287314659 /nfs/dbraw/zinc/31/46/59/287314659.db2.gz RGHYYTTUYCFZEV-OBJOEFQTSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000128608883 287314663 /nfs/dbraw/zinc/31/46/63/287314663.db2.gz RGHYYTTUYCFZEV-OBJOEFQTSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129466934 287332456 /nfs/dbraw/zinc/33/24/56/287332456.db2.gz UBIHWZVMAKMIGW-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129466934 287332458 /nfs/dbraw/zinc/33/24/58/287332458.db2.gz UBIHWZVMAKMIGW-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000312865432 416533894 /nfs/dbraw/zinc/53/38/94/416533894.db2.gz ZDLBINLWZLOJLS-QLFBSQMISA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1CC[NH3+] ZINC000404307902 416552814 /nfs/dbraw/zinc/55/28/14/416552814.db2.gz GLYJJPZZXYTSIE-GXTWGEPZSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1CC[NH3+] ZINC000404307902 416552815 /nfs/dbraw/zinc/55/28/15/416552815.db2.gz GLYJJPZZXYTSIE-GXTWGEPZSA-N 2 2 295.496 3.390 20 0 CGADLP COc1cc(C)[nH+]c(CNc2cccc(C[NH+](C)C)c2)c1 ZINC000679112998 543591488 /nfs/dbraw/zinc/59/14/88/543591488.db2.gz XKRSXOZDTCSAIG-UHFFFAOYSA-N 2 2 285.391 3.072 20 0 CGADLP Cn1cc[nH+]c1CNc1[nH+]c2ccccc2n1C1CCCC1 ZINC000679118509 543592570 /nfs/dbraw/zinc/59/25/70/543592570.db2.gz MNMWOZGAMMYWHE-UHFFFAOYSA-N 2 2 295.390 3.497 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129627138 287336314 /nfs/dbraw/zinc/33/63/14/287336314.db2.gz LAIKXTXVJIDIRB-NWDGAFQWSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129627138 287336315 /nfs/dbraw/zinc/33/63/15/287336315.db2.gz LAIKXTXVJIDIRB-NWDGAFQWSA-N 2 2 278.362 3.181 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679534349 543643928 /nfs/dbraw/zinc/64/39/28/543643928.db2.gz LJTQARMEINXGCZ-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679534349 543643931 /nfs/dbraw/zinc/64/39/31/543643931.db2.gz LJTQARMEINXGCZ-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[C@H](CCCCO)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000679328770 543619703 /nfs/dbraw/zinc/61/97/03/543619703.db2.gz SNRKSJXOMSODMH-HUUCEWRRSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340513 543700654 /nfs/dbraw/zinc/70/06/54/543700654.db2.gz JICVNCRUFLAPFO-YOEHRIQHSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340513 543700657 /nfs/dbraw/zinc/70/06/57/543700657.db2.gz JICVNCRUFLAPFO-YOEHRIQHSA-N 2 2 264.457 3.419 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000680336353 543699809 /nfs/dbraw/zinc/69/98/09/543699809.db2.gz FYQLKIFWEXEPDD-SJORKVTESA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133759 543827735 /nfs/dbraw/zinc/82/77/35/543827735.db2.gz QAOKYDGWWVTHRF-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133759 543827738 /nfs/dbraw/zinc/82/77/38/543827738.db2.gz QAOKYDGWWVTHRF-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000684022131 543960389 /nfs/dbraw/zinc/96/03/89/543960389.db2.gz GZUKBXGIHDYUEJ-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000684022131 543960391 /nfs/dbraw/zinc/96/03/91/543960391.db2.gz GZUKBXGIHDYUEJ-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684020715 543960558 /nfs/dbraw/zinc/96/05/58/543960558.db2.gz HVTBIHZGNJAAMB-HNNXBMFYSA-N 2 2 285.435 3.332 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684020715 543960560 /nfs/dbraw/zinc/96/05/60/543960560.db2.gz HVTBIHZGNJAAMB-HNNXBMFYSA-N 2 2 285.435 3.332 20 0 CGADLP c1cn(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c[nH+]1 ZINC000684020227 543961069 /nfs/dbraw/zinc/96/10/69/543961069.db2.gz GNHPLTOTRRQZGX-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP Cc1csc([C@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000684395350 543992924 /nfs/dbraw/zinc/99/29/24/543992924.db2.gz ARWFLDXKHNCTMO-GFCCVEGCSA-N 2 2 289.448 3.481 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470421 544077391 /nfs/dbraw/zinc/07/73/91/544077391.db2.gz OYKLSQHHIVJEJE-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470421 544077393 /nfs/dbraw/zinc/07/73/93/544077393.db2.gz OYKLSQHHIVJEJE-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470421 544077395 /nfs/dbraw/zinc/07/73/95/544077395.db2.gz OYKLSQHHIVJEJE-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470421 544077397 /nfs/dbraw/zinc/07/73/97/544077397.db2.gz OYKLSQHHIVJEJE-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000685615801 544088708 /nfs/dbraw/zinc/08/87/08/544088708.db2.gz VFCLLNSWLGZHLS-IAOVAPTHSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000685615801 544088711 /nfs/dbraw/zinc/08/87/11/544088711.db2.gz VFCLLNSWLGZHLS-IAOVAPTHSA-N 2 2 262.441 3.053 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000685572490 544085921 /nfs/dbraw/zinc/08/59/21/544085921.db2.gz FZJSGAOCMMPMSY-SWLSCSKDSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000685572490 544085924 /nfs/dbraw/zinc/08/59/24/544085924.db2.gz FZJSGAOCMMPMSY-SWLSCSKDSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655749630 419086534 /nfs/dbraw/zinc/08/65/34/419086534.db2.gz VJGJUEOAKOBODJ-INIZCTEOSA-N 2 2 284.407 3.200 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655857201 419124363 /nfs/dbraw/zinc/12/43/63/419124363.db2.gz SOWYLSDCSIDOGM-ROUUACIJSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655857201 419124366 /nfs/dbraw/zinc/12/43/66/419124366.db2.gz SOWYLSDCSIDOGM-ROUUACIJSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ncc(-c2ccccc2)n1C ZINC000665246662 419091344 /nfs/dbraw/zinc/09/13/44/419091344.db2.gz KUKLLVLVGQAXKX-CQSZACIVSA-N 2 2 298.434 3.009 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccco1 ZINC000665249928 419092155 /nfs/dbraw/zinc/09/21/55/419092155.db2.gz BRHLZKVZIJVRFQ-NUEKZKHPSA-N 2 2 270.376 3.076 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cs1 ZINC000665248190 419093012 /nfs/dbraw/zinc/09/30/12/419093012.db2.gz RFCHPKVVKUTHSM-LLVKDONJSA-N 2 2 267.442 3.189 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655776315 419094591 /nfs/dbraw/zinc/09/45/91/419094591.db2.gz HFLHXXOYJFVQCJ-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2=CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665274291 419097880 /nfs/dbraw/zinc/09/78/80/419097880.db2.gz NBFYFRJPEJIGOA-QZTJIDSGSA-N 2 2 286.419 3.188 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000665277992 419100268 /nfs/dbraw/zinc/10/02/68/419100268.db2.gz RRBGENCHNBMJAF-XVTSOASTSA-N 2 2 293.414 3.151 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000660239761 419107501 /nfs/dbraw/zinc/10/75/01/419107501.db2.gz SRUJYMSVSBPQJN-RDTXWAMCSA-N 2 2 299.418 3.338 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000665295718 419109589 /nfs/dbraw/zinc/10/95/89/419109589.db2.gz IDURZSDKTPVHBT-VHSXEESVSA-N 2 2 269.458 3.008 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849529 419119806 /nfs/dbraw/zinc/11/98/06/419119806.db2.gz WQHPQKHYWIHXPX-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849529 419119811 /nfs/dbraw/zinc/11/98/11/419119811.db2.gz WQHPQKHYWIHXPX-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849748 419119955 /nfs/dbraw/zinc/11/99/55/419119955.db2.gz YJHDTZXXMYXEGS-UAGQMJEPSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849748 419119957 /nfs/dbraw/zinc/11/99/57/419119957.db2.gz YJHDTZXXMYXEGS-UAGQMJEPSA-N 2 2 273.424 3.058 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850727 419120022 /nfs/dbraw/zinc/12/00/22/419120022.db2.gz LPFJPYIKJRCECM-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850727 419120023 /nfs/dbraw/zinc/12/00/23/419120023.db2.gz LPFJPYIKJRCECM-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850725 419120639 /nfs/dbraw/zinc/12/06/39/419120639.db2.gz LPFJPYIKJRCECM-HRCADAONSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850725 419120640 /nfs/dbraw/zinc/12/06/40/419120640.db2.gz LPFJPYIKJRCECM-HRCADAONSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)n1 ZINC000655849171 419120829 /nfs/dbraw/zinc/12/08/29/419120829.db2.gz PTPSPWDBCLOKAP-SZMVWBNQSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)n1 ZINC000655849171 419120832 /nfs/dbraw/zinc/12/08/32/419120832.db2.gz PTPSPWDBCLOKAP-SZMVWBNQSA-N 2 2 287.451 3.366 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590614 419056004 /nfs/dbraw/zinc/05/60/04/419056004.db2.gz OHJOARODCFJIOL-HUUCEWRRSA-N 2 2 263.429 3.426 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590614 419056008 /nfs/dbraw/zinc/05/60/08/419056008.db2.gz OHJOARODCFJIOL-HUUCEWRRSA-N 2 2 263.429 3.426 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000655855969 419123587 /nfs/dbraw/zinc/12/35/87/419123587.db2.gz JWUDBRJLDPXCFJ-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000655855969 419123589 /nfs/dbraw/zinc/12/35/89/419123589.db2.gz JWUDBRJLDPXCFJ-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655705104 419071362 /nfs/dbraw/zinc/07/13/62/419071362.db2.gz WAZHLWURTUVGLI-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708284 419072559 /nfs/dbraw/zinc/07/25/59/419072559.db2.gz MOTKYTZUJSNQNU-KBAYOESNSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728779 419080324 /nfs/dbraw/zinc/08/03/24/419080324.db2.gz CMWOCAOTKWYENC-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000656199764 419148312 /nfs/dbraw/zinc/14/83/12/419148312.db2.gz CGRNGTYQDQFWRC-MAUKXSAKSA-N 2 2 298.430 3.052 20 0 CGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371795 419167914 /nfs/dbraw/zinc/16/79/14/419167914.db2.gz VHPVFMNJBUWCFR-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371795 419167917 /nfs/dbraw/zinc/16/79/17/419167917.db2.gz VHPVFMNJBUWCFR-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000656433160 419169417 /nfs/dbraw/zinc/16/94/17/419169417.db2.gz LJXVIRMXSVKUST-AWEZNQCLSA-N 2 2 283.366 3.346 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000656433160 419169420 /nfs/dbraw/zinc/16/94/20/419169420.db2.gz LJXVIRMXSVKUST-AWEZNQCLSA-N 2 2 283.366 3.346 20 0 CGADLP Cc1cncc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660677775 419182255 /nfs/dbraw/zinc/18/22/55/419182255.db2.gz OVXJKKMRTNKOBN-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1Cl ZINC000657287449 419243214 /nfs/dbraw/zinc/24/32/14/419243214.db2.gz MQRCXXGHPGAPLH-NSHDSACASA-N 2 2 275.783 3.334 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC)cc1 ZINC000657292242 419243750 /nfs/dbraw/zinc/24/37/50/419243750.db2.gz KVSBMUXPKTZBAY-INIZCTEOSA-N 2 2 285.391 3.079 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657317513 419249520 /nfs/dbraw/zinc/24/95/20/419249520.db2.gz YJQHYOXXQLVJCD-UHFFFAOYSA-N 2 2 293.370 3.379 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000657334167 419253073 /nfs/dbraw/zinc/25/30/73/419253073.db2.gz OKLNKUZIEPNJDX-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP Cc1cccc(C(C)(C)C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657335893 419254155 /nfs/dbraw/zinc/25/41/55/419254155.db2.gz LMMYLHGLMAAARQ-UHFFFAOYSA-N 2 2 283.419 3.205 20 0 CGADLP CCC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345144 419255454 /nfs/dbraw/zinc/25/54/54/419255454.db2.gz IFDSQKAFTPAKBQ-DZGCQCFKSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)c1ccccc1OCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657355987 419258197 /nfs/dbraw/zinc/25/81/97/419258197.db2.gz HJQNHLZFLFOZMK-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657368292 419261051 /nfs/dbraw/zinc/26/10/51/419261051.db2.gz NPIKIRKYLAGANW-CQSZACIVSA-N 2 2 269.392 3.031 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000656778743 419216854 /nfs/dbraw/zinc/21/68/54/419216854.db2.gz JXAAYEKGSPKVGY-UHFFFAOYSA-N 2 2 258.369 3.342 20 0 CGADLP C[N@H+](Cc1ccccc1OC1CCCC1)CC(C)(C)[NH3+] ZINC000656783084 419217824 /nfs/dbraw/zinc/21/78/24/419217824.db2.gz NWKIUHORODPSRB-UHFFFAOYSA-N 2 2 276.424 3.177 20 0 CGADLP C[N@@H+](Cc1ccccc1OC1CCCC1)CC(C)(C)[NH3+] ZINC000656783084 419217826 /nfs/dbraw/zinc/21/78/26/419217826.db2.gz NWKIUHORODPSRB-UHFFFAOYSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC1(F)F ZINC000666444361 419217995 /nfs/dbraw/zinc/21/79/95/419217995.db2.gz DYYQYFJYFYGMTF-CMPLNLGQSA-N 2 2 295.308 3.145 20 0 CGADLP CCOc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(C)c1 ZINC000657390780 419268206 /nfs/dbraw/zinc/26/82/06/419268206.db2.gz GMJJQZZBYVTLPJ-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc21 ZINC000657440240 419280012 /nfs/dbraw/zinc/28/00/12/419280012.db2.gz OZWISGNRSOQDEQ-OAHLLOKOSA-N 2 2 295.386 3.296 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccc(C[NH+](C)C)cc1F ZINC000657490395 419292014 /nfs/dbraw/zinc/29/20/14/419292014.db2.gz ISPVFIAENRCBPB-UHFFFAOYSA-N 2 2 290.386 3.277 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CC2CCC1CC2 ZINC000657503433 419296373 /nfs/dbraw/zinc/29/63/73/419296373.db2.gz ITARNIHUCNXNEJ-USPMSXPRSA-N 2 2 273.424 3.134 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523110 419297297 /nfs/dbraw/zinc/29/72/97/419297297.db2.gz DJZGSKNISHYTJW-CZUORRHYSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523110 419297298 /nfs/dbraw/zinc/29/72/98/419297298.db2.gz DJZGSKNISHYTJW-CZUORRHYSA-N 2 2 278.415 3.392 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)s1 ZINC000657525691 419297325 /nfs/dbraw/zinc/29/73/25/419297325.db2.gz VSFXVCUVJAIDHF-AWEZNQCLSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)s1 ZINC000657525691 419297326 /nfs/dbraw/zinc/29/73/26/419297326.db2.gz VSFXVCUVJAIDHF-AWEZNQCLSA-N 2 2 266.454 3.327 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657523093 419298167 /nfs/dbraw/zinc/29/81/67/419298167.db2.gz DFOHAVFTZKZCQE-YIEVGGLXSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657523093 419298170 /nfs/dbraw/zinc/29/81/70/419298170.db2.gz DFOHAVFTZKZCQE-YIEVGGLXSA-N 2 2 276.399 3.301 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000657527113 419298606 /nfs/dbraw/zinc/29/86/06/419298606.db2.gz QZSKDWKAVHEHQS-AWEZNQCLSA-N 2 2 294.414 3.187 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000657527113 419298608 /nfs/dbraw/zinc/29/86/08/419298608.db2.gz QZSKDWKAVHEHQS-AWEZNQCLSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000657526871 419298670 /nfs/dbraw/zinc/29/86/70/419298670.db2.gz NWKVFSJBYVTXBM-XVWMLYKFSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000657526871 419298673 /nfs/dbraw/zinc/29/86/73/419298673.db2.gz NWKVFSJBYVTXBM-XVWMLYKFSA-N 2 2 294.389 3.440 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@@H+]1Cc1ccccc1 ZINC000657645329 419317995 /nfs/dbraw/zinc/31/79/95/419317995.db2.gz SAMPUCMVZHLICG-GOEBONIOSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@H+]1Cc1ccccc1 ZINC000657645329 419317997 /nfs/dbraw/zinc/31/79/97/419317997.db2.gz SAMPUCMVZHLICG-GOEBONIOSA-N 2 2 278.415 3.377 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2COCc3ccccc32)c[nH+]1 ZINC000418103008 228046443 /nfs/dbraw/zinc/04/64/43/228046443.db2.gz IEUGIEMFWJKPFI-SFHVURJKSA-N 2 2 282.387 3.184 20 0 CGADLP CSC1(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000356124719 228131561 /nfs/dbraw/zinc/13/15/61/228131561.db2.gz PYODYVVXICXOAQ-UHFFFAOYSA-N 2 2 287.432 3.248 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000657742195 419335801 /nfs/dbraw/zinc/33/58/01/419335801.db2.gz OQMPMGTYYLYQIR-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000657742195 419335805 /nfs/dbraw/zinc/33/58/05/419335805.db2.gz OQMPMGTYYLYQIR-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657760614 419338568 /nfs/dbraw/zinc/33/85/68/419338568.db2.gz MMQQERKQOCOARU-MRXNPFEDSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCOC2(C)C)n1-c1ccccc1 ZINC000657786797 419349618 /nfs/dbraw/zinc/34/96/18/419349618.db2.gz XCRYBXIXOWJYGT-HNNXBMFYSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000657783814 419347917 /nfs/dbraw/zinc/34/79/17/419347917.db2.gz WWAVZSWXFCDZNG-FUHWJXTLSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000657783814 419347921 /nfs/dbraw/zinc/34/79/21/419347921.db2.gz WWAVZSWXFCDZNG-FUHWJXTLSA-N 2 2 298.430 3.465 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304337 419387883 /nfs/dbraw/zinc/38/78/83/419387883.db2.gz OBZJRZZUXBZONS-WPBUFGDCSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304337 419387885 /nfs/dbraw/zinc/38/78/85/419387885.db2.gz OBZJRZZUXBZONS-WPBUFGDCSA-N 2 2 264.800 3.214 20 0 CGADLP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326531 419392615 /nfs/dbraw/zinc/39/26/15/419392615.db2.gz VMBFOLCVZLYYMC-APHBMKBZSA-N 2 2 264.388 3.242 20 0 CGADLP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326531 419392620 /nfs/dbraw/zinc/39/26/20/419392620.db2.gz VMBFOLCVZLYYMC-APHBMKBZSA-N 2 2 264.388 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058782 419531041 /nfs/dbraw/zinc/53/10/41/419531041.db2.gz UOXRHGUUZXBYKF-NHYWBVRUSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058782 419531046 /nfs/dbraw/zinc/53/10/46/419531046.db2.gz UOXRHGUUZXBYKF-NHYWBVRUSA-N 2 2 282.378 3.488 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000658060290 419532464 /nfs/dbraw/zinc/53/24/64/419532464.db2.gz LREPLAOZLRDDCR-CABCVRRESA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000658060290 419532473 /nfs/dbraw/zinc/53/24/73/419532473.db2.gz LREPLAOZLRDDCR-CABCVRRESA-N 2 2 282.472 3.187 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059423 419532713 /nfs/dbraw/zinc/53/27/13/419532713.db2.gz JAMVTPNHNNMUCQ-WBVHZDCISA-N 2 2 289.467 3.255 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059423 419532721 /nfs/dbraw/zinc/53/27/21/419532721.db2.gz JAMVTPNHNNMUCQ-WBVHZDCISA-N 2 2 289.467 3.255 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000658059804 419533594 /nfs/dbraw/zinc/53/35/94/419533594.db2.gz XABWFPAPRYLYPY-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000658059804 419533603 /nfs/dbraw/zinc/53/36/03/419533603.db2.gz XABWFPAPRYLYPY-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062449 419536634 /nfs/dbraw/zinc/53/66/34/419536634.db2.gz RSXXUJSYZQXEFS-NEPJUHHUSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062449 419536641 /nfs/dbraw/zinc/53/66/41/419536641.db2.gz RSXXUJSYZQXEFS-NEPJUHHUSA-N 2 2 282.453 3.280 20 0 CGADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346386 419569489 /nfs/dbraw/zinc/56/94/89/419569489.db2.gz MIXQPQCSTFKPGJ-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346386 419569502 /nfs/dbraw/zinc/56/95/02/419569502.db2.gz MIXQPQCSTFKPGJ-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094864 419570152 /nfs/dbraw/zinc/57/01/52/419570152.db2.gz CCONQNLVWGOUSN-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094864 419570166 /nfs/dbraw/zinc/57/01/66/419570166.db2.gz CCONQNLVWGOUSN-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095554 419572393 /nfs/dbraw/zinc/57/23/93/419572393.db2.gz JACYLLAWYNWYOW-KBPBESRZSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095554 419572402 /nfs/dbraw/zinc/57/24/02/419572402.db2.gz JACYLLAWYNWYOW-KBPBESRZSA-N 2 2 297.446 3.098 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096432 419572651 /nfs/dbraw/zinc/57/26/51/419572651.db2.gz PIXGCKZEGVDALG-LSDHHAIUSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096432 419572661 /nfs/dbraw/zinc/57/26/61/419572661.db2.gz PIXGCKZEGVDALG-LSDHHAIUSA-N 2 2 282.472 3.187 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000658096231 419574760 /nfs/dbraw/zinc/57/47/60/419574760.db2.gz OWWXLMUKWNWUSH-SOUVJXGZSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000658096231 419574767 /nfs/dbraw/zinc/57/47/67/419574767.db2.gz OWWXLMUKWNWUSH-SOUVJXGZSA-N 2 2 270.436 3.367 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000663507205 419640412 /nfs/dbraw/zinc/64/04/12/419640412.db2.gz LWJNMECJZIHGQC-CQSZACIVSA-N 2 2 254.377 3.051 20 0 CGADLP Cc1[nH+]ccn1CCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663658768 419664454 /nfs/dbraw/zinc/66/44/54/419664454.db2.gz PAPFTLREFXZRRC-UHFFFAOYSA-N 2 2 298.312 3.416 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000658283718 419728662 /nfs/dbraw/zinc/72/86/62/419728662.db2.gz COYNESHGOIROSM-DZGCQCFKSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000658283718 419728672 /nfs/dbraw/zinc/72/86/72/419728672.db2.gz COYNESHGOIROSM-DZGCQCFKSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000658286948 419732669 /nfs/dbraw/zinc/73/26/69/419732669.db2.gz WQJRLRIDRUDIQU-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000658286948 419732678 /nfs/dbraw/zinc/73/26/78/419732678.db2.gz WQJRLRIDRUDIQU-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)(CNc1[nH+]ccc2c(N)cccc21)C[NH+]1CCCC1 ZINC000663839325 419735788 /nfs/dbraw/zinc/73/57/88/419735788.db2.gz KHIMJCSPWCHUJD-UHFFFAOYSA-N 2 2 298.434 3.351 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294247 419742743 /nfs/dbraw/zinc/74/27/43/419742743.db2.gz GSQCDRWZGVJSQJ-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000664138061 419837985 /nfs/dbraw/zinc/83/79/85/419837985.db2.gz HBELTEIOFOPQCD-CYBMUJFWSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000664138061 419837994 /nfs/dbraw/zinc/83/79/94/419837994.db2.gz HBELTEIOFOPQCD-CYBMUJFWSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC[C@@H](C)[NH+](C)C ZINC000664245590 419865486 /nfs/dbraw/zinc/86/54/86/419865486.db2.gz ZEZZAMGSQZBNMC-CYBMUJFWSA-N 2 2 257.381 3.295 20 0 CGADLP CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000318547958 261242978 /nfs/dbraw/zinc/24/29/78/261242978.db2.gz KHARPHTWPCLZJW-IAGOWNOFSA-N 2 2 299.418 3.084 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000021519635 262388760 /nfs/dbraw/zinc/38/87/60/262388760.db2.gz YDRAPVXLQYAUJT-UHFFFAOYSA-N 2 2 290.451 3.297 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353170 270035348 /nfs/dbraw/zinc/03/53/48/270035348.db2.gz HESZFMZVXHWMTF-UHFFFAOYSA-N 2 2 287.407 3.240 20 0 CGADLP CCCOc1cccc2c(N3CCC[N@H+](C)CC3)cc[nH+]c12 ZINC000194695856 270082582 /nfs/dbraw/zinc/08/25/82/270082582.db2.gz OTWPYTMBHHRZEF-UHFFFAOYSA-N 2 2 299.418 3.166 20 0 CGADLP CCCOc1cccc2c(N3CCC[N@@H+](C)CC3)cc[nH+]c12 ZINC000194695856 270082583 /nfs/dbraw/zinc/08/25/83/270082583.db2.gz OTWPYTMBHHRZEF-UHFFFAOYSA-N 2 2 299.418 3.166 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000525874472 270120399 /nfs/dbraw/zinc/12/03/99/270120399.db2.gz AIWOXBGKMHGHCO-RHSMWYFYSA-N 2 2 280.431 3.495 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2(F)CC2)CC1 ZINC000526000025 270122443 /nfs/dbraw/zinc/12/24/43/270122443.db2.gz ZFKBGRGMUOCQQG-UHFFFAOYSA-N 2 2 287.382 3.484 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccncc1Cl)[NH+]1CCCCC1 ZINC000527693187 270132168 /nfs/dbraw/zinc/13/21/68/270132168.db2.gz WCIKXJNWKAFREC-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP CCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000527752730 270134474 /nfs/dbraw/zinc/13/44/74/270134474.db2.gz PDPAPTCALORQFE-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP CCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000527752730 270134475 /nfs/dbraw/zinc/13/44/75/270134475.db2.gz PDPAPTCALORQFE-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806369 270137370 /nfs/dbraw/zinc/13/73/70/270137370.db2.gz JYMPAFRGVLAUKC-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806369 270137371 /nfs/dbraw/zinc/13/73/71/270137371.db2.gz JYMPAFRGVLAUKC-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527811647 270137962 /nfs/dbraw/zinc/13/79/62/270137962.db2.gz YKGNDKOSMVBLHU-YOCVDRLZSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527811647 270137963 /nfs/dbraw/zinc/13/79/63/270137963.db2.gz YKGNDKOSMVBLHU-YOCVDRLZSA-N 2 2 270.420 3.306 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2NC1CC[NH+](C2CC2)CC1 ZINC000527838028 270138862 /nfs/dbraw/zinc/13/88/62/270138862.db2.gz PZJFNPAWGDYNST-UHFFFAOYSA-N 2 2 267.376 3.274 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849963 270139778 /nfs/dbraw/zinc/13/97/78/270139778.db2.gz JOJJMNRZTVIHJB-IAQYHMDHSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849963 270139779 /nfs/dbraw/zinc/13/97/79/270139779.db2.gz JOJJMNRZTVIHJB-IAQYHMDHSA-N 2 2 282.790 3.150 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527898663 270143007 /nfs/dbraw/zinc/14/30/07/270143007.db2.gz LKEOHLYSISRSEP-XKQJLSEDSA-N 2 2 288.435 3.076 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527898658 270143065 /nfs/dbraw/zinc/14/30/65/270143065.db2.gz LKEOHLYSISRSEP-JQFCIGGWSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528007860 270150925 /nfs/dbraw/zinc/15/09/25/270150925.db2.gz CWNABKZMZGGFHN-CZUORRHYSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528007860 270150926 /nfs/dbraw/zinc/15/09/26/270150926.db2.gz CWNABKZMZGGFHN-CZUORRHYSA-N 2 2 278.465 3.286 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528009216 270151078 /nfs/dbraw/zinc/15/10/78/270151078.db2.gz HLIMCNNUPMPTKA-FUHWJXTLSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528009216 270151079 /nfs/dbraw/zinc/15/10/79/270151079.db2.gz HLIMCNNUPMPTKA-FUHWJXTLSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010030 270151229 /nfs/dbraw/zinc/15/12/29/270151229.db2.gz HYHFSMXEYFDNOH-GUYCJALGSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010030 270151230 /nfs/dbraw/zinc/15/12/30/270151230.db2.gz HYHFSMXEYFDNOH-GUYCJALGSA-N 2 2 276.399 3.493 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014320 270151689 /nfs/dbraw/zinc/15/16/89/270151689.db2.gz UOLIJTXHNLYEOB-KSSFIOAISA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014320 270151690 /nfs/dbraw/zinc/15/16/90/270151690.db2.gz UOLIJTXHNLYEOB-KSSFIOAISA-N 2 2 288.410 3.420 20 0 CGADLP Cc1cccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000528117359 270154931 /nfs/dbraw/zinc/15/49/31/270154931.db2.gz MZGHTYAIFRSASI-OAHLLOKOSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc(NC[C@H]2CC[N@H+]2C2CCCCC2)[nH+]1 ZINC000528117359 270154932 /nfs/dbraw/zinc/15/49/32/270154932.db2.gz MZGHTYAIFRSASI-OAHLLOKOSA-N 2 2 259.397 3.209 20 0 CGADLP C/C(Cl)=C/C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000528359951 270162360 /nfs/dbraw/zinc/16/23/60/270162360.db2.gz WLGDDXHLYVYBGQ-ACAGNQJTSA-N 2 2 256.821 3.079 20 0 CGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529536777 270183095 /nfs/dbraw/zinc/18/30/95/270183095.db2.gz QSCMUDYGRCVLFF-XJKSGUPXSA-N 2 2 296.405 3.183 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)c(Cl)c1 ZINC000530217174 270195668 /nfs/dbraw/zinc/19/56/68/270195668.db2.gz FONKAYLASVWZAV-IINYFYTJSA-N 2 2 282.790 3.414 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000530218944 270196008 /nfs/dbraw/zinc/19/60/08/270196008.db2.gz KGDSQQHURKFAQV-ZBFHGGJFSA-N 2 2 258.409 3.239 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000530218400 270196027 /nfs/dbraw/zinc/19/60/27/270196027.db2.gz IVZDYZRNMKDRJN-RISCZKNCSA-N 2 2 264.438 3.246 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000530218930 270196268 /nfs/dbraw/zinc/19/62/68/270196268.db2.gz KGDSQQHURKFAQV-GDBMZVCRSA-N 2 2 258.409 3.239 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cnc2ccsc2c1 ZINC000530219633 270196314 /nfs/dbraw/zinc/19/63/14/270196314.db2.gz MDJOHYRJWODKHI-NHYWBVRUSA-N 2 2 287.432 3.232 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1 ZINC000530225915 270196678 /nfs/dbraw/zinc/19/66/78/270196678.db2.gz XZNBMBDGVHUFLC-HZPDHXFCSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000531936919 270210948 /nfs/dbraw/zinc/21/09/48/270210948.db2.gz SMWGIRFPPAOJHQ-CHWSQXEVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000531936919 270210949 /nfs/dbraw/zinc/21/09/49/270210949.db2.gz SMWGIRFPPAOJHQ-CHWSQXEVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531957523 270211550 /nfs/dbraw/zinc/21/15/50/270211550.db2.gz RZMLLBCZODRUPI-CXAGYDPISA-N 2 2 287.382 3.326 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531992237 270212563 /nfs/dbraw/zinc/21/25/63/270212563.db2.gz FWMMKAGJFUVVPU-ZQIUZPCESA-N 2 2 288.435 3.137 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531992237 270212564 /nfs/dbraw/zinc/21/25/64/270212564.db2.gz FWMMKAGJFUVVPU-ZQIUZPCESA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532154 270217141 /nfs/dbraw/zinc/21/71/41/270217141.db2.gz FWRDVJTYVRDRII-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532154 270217142 /nfs/dbraw/zinc/21/71/42/270217142.db2.gz FWRDVJTYVRDRII-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000348334127 273796665 /nfs/dbraw/zinc/79/66/65/273796665.db2.gz NYNPLTDSENKWNE-HNNXBMFYSA-N 2 2 266.816 3.259 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000246373172 287703615 /nfs/dbraw/zinc/70/36/15/287703615.db2.gz ANQIXKVKEMTNSK-HOSILWTGSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268733030 274255569 /nfs/dbraw/zinc/25/55/69/274255569.db2.gz UQYJCWGBHACJDX-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCC(F)(F)F)CCC2 ZINC000346429069 274824518 /nfs/dbraw/zinc/82/45/18/274824518.db2.gz FUGMFTANGMXBHN-PWSUYJOCSA-N 2 2 289.345 3.390 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423326743 274955125 /nfs/dbraw/zinc/95/51/25/274955125.db2.gz QYPREXJFHLRAFS-STQMWFEESA-N 2 2 285.218 3.308 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996622 275070591 /nfs/dbraw/zinc/07/05/91/275070591.db2.gz YBYAZBCXKNWGRI-HRCADAONSA-N 2 2 288.460 3.440 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996622 275070593 /nfs/dbraw/zinc/07/05/93/275070593.db2.gz YBYAZBCXKNWGRI-HRCADAONSA-N 2 2 288.460 3.440 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000359586031 275076852 /nfs/dbraw/zinc/07/68/52/275076852.db2.gz CIWWGWXETFCWOQ-OAHLLOKOSA-N 2 2 295.430 3.394 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000513545760 275398306 /nfs/dbraw/zinc/39/83/06/275398306.db2.gz SKHUQQIATKTCSI-KIWPFMIBSA-N 2 2 266.816 3.283 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000251467621 287833890 /nfs/dbraw/zinc/83/38/90/287833890.db2.gz BDYBWBHYKPCCPG-DJIMGWMZSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H](C)[NH3+] ZINC000420293719 276025284 /nfs/dbraw/zinc/02/52/84/276025284.db2.gz AEWXWUKILBXSPT-BXUZGUMPSA-N 2 2 254.805 3.316 20 0 CGADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000420293719 276025287 /nfs/dbraw/zinc/02/52/87/276025287.db2.gz AEWXWUKILBXSPT-BXUZGUMPSA-N 2 2 254.805 3.316 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000156552767 276174660 /nfs/dbraw/zinc/17/46/60/276174660.db2.gz QWTOZDIFVRBCKH-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000156552767 276174661 /nfs/dbraw/zinc/17/46/61/276174661.db2.gz QWTOZDIFVRBCKH-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341757426 276187815 /nfs/dbraw/zinc/18/78/15/276187815.db2.gz JCRPOAOYKGDCCJ-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341757426 276187816 /nfs/dbraw/zinc/18/78/16/276187816.db2.gz JCRPOAOYKGDCCJ-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH2+]CC)c1ccc(Cl)cc1 ZINC000423251273 276271763 /nfs/dbraw/zinc/27/17/63/276271763.db2.gz VPNRYWRVEBEYQT-CQSZACIVSA-N 2 2 254.805 3.380 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000185671847 276271924 /nfs/dbraw/zinc/27/19/24/276271924.db2.gz SAVGOYVCQSIWFM-YSVLISHTSA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000185671847 276271926 /nfs/dbraw/zinc/27/19/26/276271926.db2.gz SAVGOYVCQSIWFM-YSVLISHTSA-N 2 2 273.424 3.138 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119587877 276467736 /nfs/dbraw/zinc/46/77/36/276467736.db2.gz CMSOPKLHZPIMCP-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000337399616 276778835 /nfs/dbraw/zinc/77/88/35/276778835.db2.gz OZIVULRJCFELCU-IAGOWNOFSA-N 2 2 272.436 3.082 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000361742790 277478218 /nfs/dbraw/zinc/47/82/18/277478218.db2.gz CRBHFTUDMGVPPH-BZUAXINKSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000395170492 288006694 /nfs/dbraw/zinc/00/66/94/288006694.db2.gz HKHCMLCTRXMOKL-GDBMZVCRSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000395170492 288006696 /nfs/dbraw/zinc/00/66/96/288006696.db2.gz HKHCMLCTRXMOKL-GDBMZVCRSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000334582240 278065525 /nfs/dbraw/zinc/06/55/25/278065525.db2.gz FTPNKFXSUOLOAH-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000334582240 278065526 /nfs/dbraw/zinc/06/55/26/278065526.db2.gz FTPNKFXSUOLOAH-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000334582240 278065527 /nfs/dbraw/zinc/06/55/27/278065527.db2.gz FTPNKFXSUOLOAH-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000334582240 278065528 /nfs/dbraw/zinc/06/55/28/278065528.db2.gz FTPNKFXSUOLOAH-KBPBESRZSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCCC1 ZINC000475196358 278261224 /nfs/dbraw/zinc/26/12/24/278261224.db2.gz QBOVWAZNTVSRDD-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCCC1 ZINC000475196358 278261228 /nfs/dbraw/zinc/26/12/28/278261228.db2.gz QBOVWAZNTVSRDD-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000367594950 278272878 /nfs/dbraw/zinc/27/28/78/278272878.db2.gz MRLJIXTYAYOTMZ-FDQGKXFDSA-N 2 2 298.434 3.068 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000358408108 278284706 /nfs/dbraw/zinc/28/47/06/278284706.db2.gz UZFWLVWDJFSQJG-SUNKGSAMSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000358408108 278284707 /nfs/dbraw/zinc/28/47/07/278284707.db2.gz UZFWLVWDJFSQJG-SUNKGSAMSA-N 2 2 297.240 3.050 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000397868165 288033194 /nfs/dbraw/zinc/03/31/94/288033194.db2.gz IHMVIRUAQQDKFT-UHFFFAOYSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000398019030 288037527 /nfs/dbraw/zinc/03/75/27/288037527.db2.gz YUDVGPAYVPOOQL-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000398019030 288037529 /nfs/dbraw/zinc/03/75/29/288037529.db2.gz YUDVGPAYVPOOQL-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000423147698 278370451 /nfs/dbraw/zinc/37/04/51/278370451.db2.gz SRFOFPVHAKTWDB-OAUYIBNBSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918055 278378732 /nfs/dbraw/zinc/37/87/32/278378732.db2.gz HGRNQGPQAMBRRW-JTNHKYCSSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632013 278388536 /nfs/dbraw/zinc/38/85/36/278388536.db2.gz KYYGFBWJTAFIHD-RKVPGOIHSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632013 278388538 /nfs/dbraw/zinc/38/85/38/278388538.db2.gz KYYGFBWJTAFIHD-RKVPGOIHSA-N 2 2 286.463 3.425 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCCCC1 ZINC000482538758 288047705 /nfs/dbraw/zinc/04/77/05/288047705.db2.gz ARSDZDOVEIENJZ-BBRMVZONSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCCCC1 ZINC000482538758 288047708 /nfs/dbraw/zinc/04/77/08/288047708.db2.gz ARSDZDOVEIENJZ-BBRMVZONSA-N 2 2 252.446 3.418 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000459403516 288089503 /nfs/dbraw/zinc/08/95/03/288089503.db2.gz QZUXBDFCZCDZLM-UHFFFAOYSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000459403516 288089504 /nfs/dbraw/zinc/08/95/04/288089504.db2.gz QZUXBDFCZCDZLM-UHFFFAOYSA-N 2 2 272.436 3.181 20 0 CGADLP Cc1cn2c([nH+]1)CN(c1c(C)c[nH+]c3c(C)cccc31)CC2 ZINC000364050114 279003406 /nfs/dbraw/zinc/00/34/06/279003406.db2.gz YHCNQVVMIVHCLC-UHFFFAOYSA-N 2 2 292.386 3.377 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436240773 279354144 /nfs/dbraw/zinc/35/41/44/279354144.db2.gz QWQZFRJEIRTDQB-OIISXLGYSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436240773 279354147 /nfs/dbraw/zinc/35/41/47/279354147.db2.gz QWQZFRJEIRTDQB-OIISXLGYSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718495 279496506 /nfs/dbraw/zinc/49/65/06/279496506.db2.gz NVJYLIALBJWBFO-MJVIPROJSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Cl ZINC000335209300 279522802 /nfs/dbraw/zinc/52/28/02/279522802.db2.gz GQAHOQGYTOYSTQ-CMPLNLGQSA-N 2 2 293.773 3.341 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCO2 ZINC000262057387 279526743 /nfs/dbraw/zinc/52/67/43/279526743.db2.gz DQGQFUJIZQKMMC-KNXALSJPSA-N 2 2 296.370 3.211 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CCCCC2)C[N@@H+]1C1CC1 ZINC000231632424 280008943 /nfs/dbraw/zinc/00/89/43/280008943.db2.gz IPKRNBPIQKLYFD-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CCCCC2)C[N@H+]1C1CC1 ZINC000231632424 280008946 /nfs/dbraw/zinc/00/89/46/280008946.db2.gz IPKRNBPIQKLYFD-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)nc1 ZINC000527791928 288195605 /nfs/dbraw/zinc/19/56/05/288195605.db2.gz XGQPGEQDNRGAFK-QGZVFWFLSA-N 2 2 299.462 3.382 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863081 280153525 /nfs/dbraw/zinc/15/35/25/280153525.db2.gz YUPYEMXSRDNYLD-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863081 280153528 /nfs/dbraw/zinc/15/35/28/280153528.db2.gz YUPYEMXSRDNYLD-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000336497282 280942345 /nfs/dbraw/zinc/94/23/45/280942345.db2.gz IMMQKIIOFDZNIU-CABCVRRESA-N 2 2 269.392 3.166 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427897469 281124584 /nfs/dbraw/zinc/12/45/84/281124584.db2.gz YBUOOZOCDPOPPC-NVXWUHKLSA-N 2 2 281.403 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178382 288295325 /nfs/dbraw/zinc/29/53/25/288295325.db2.gz KSLKOCGNEDQBAQ-AWEZNQCLSA-N 2 2 264.800 3.023 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2)nc1 ZINC000530178682 288295907 /nfs/dbraw/zinc/29/59/07/288295907.db2.gz PZQIGELNSFOYON-GOSISDBHSA-N 2 2 293.414 3.123 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178666 288295956 /nfs/dbraw/zinc/29/59/56/288295956.db2.gz PQTVCVPIFGBIRG-HNNXBMFYSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1COC(C)(C)C1)[NH+](C)C ZINC000418027545 281389889 /nfs/dbraw/zinc/38/98/89/281389889.db2.gz PIAKAGDKNRWPRL-UXLLHSPISA-N 2 2 290.451 3.143 20 0 CGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180269 281397332 /nfs/dbraw/zinc/39/73/32/281397332.db2.gz OIYGSVRVTIUQKH-SJORKVTESA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180269 281397334 /nfs/dbraw/zinc/39/73/34/281397334.db2.gz OIYGSVRVTIUQKH-SJORKVTESA-N 2 2 283.419 3.460 20 0 CGADLP CC1(C)C[N@@H+](C2(C[NH2+]C3CCCC3)CCCCC2)CCO1 ZINC000531717109 288342496 /nfs/dbraw/zinc/34/24/96/288342496.db2.gz UMTMNEHHBWAMAZ-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP CC1(C)C[N@H+](C2(C[NH2+]C3CCCC3)CCCCC2)CCO1 ZINC000531717109 288342497 /nfs/dbraw/zinc/34/24/97/288342497.db2.gz UMTMNEHHBWAMAZ-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000532197463 288354811 /nfs/dbraw/zinc/35/48/11/288354811.db2.gz QJRWOEFPFVYBLD-PBHICJAKSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000532197463 288354814 /nfs/dbraw/zinc/35/48/14/288354814.db2.gz QJRWOEFPFVYBLD-PBHICJAKSA-N 2 2 260.425 3.211 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228917 288356677 /nfs/dbraw/zinc/35/66/77/288356677.db2.gz RATRXWQHKJOZGA-ABAIWWIYSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228917 288356679 /nfs/dbraw/zinc/35/66/79/288356679.db2.gz RATRXWQHKJOZGA-ABAIWWIYSA-N 2 2 298.833 3.296 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000532479898 288364290 /nfs/dbraw/zinc/36/42/90/288364290.db2.gz ZMPXQHBEBILXEM-ZDUSSCGKSA-N 2 2 290.436 3.095 20 0 CGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)C2CCCCC2)CCC1 ZINC000353669838 282045825 /nfs/dbraw/zinc/04/58/25/282045825.db2.gz JIMUEVWLCVEKGT-HNNXBMFYSA-N 2 2 290.455 3.105 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865542 288396377 /nfs/dbraw/zinc/39/63/77/288396377.db2.gz PZPHNSLBMBPFIX-HOCLYGCPSA-N 2 2 287.382 3.500 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865542 288396378 /nfs/dbraw/zinc/39/63/78/288396378.db2.gz PZPHNSLBMBPFIX-HOCLYGCPSA-N 2 2 287.382 3.500 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000545960812 288910431 /nfs/dbraw/zinc/91/04/31/288910431.db2.gz HZJJWDGYFBEKNW-UHFFFAOYSA-N 2 2 292.814 3.230 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551814321 289135373 /nfs/dbraw/zinc/13/53/73/289135373.db2.gz UKFVEJUJHVBYEK-SNVBAGLBSA-N 2 2 275.318 3.040 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000554048333 289253122 /nfs/dbraw/zinc/25/31/22/289253122.db2.gz QJEKVZUFNAQROT-BGTYHANMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000554048333 289253123 /nfs/dbraw/zinc/25/31/23/289253123.db2.gz QJEKVZUFNAQROT-BGTYHANMSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096609 289258548 /nfs/dbraw/zinc/25/85/48/289258548.db2.gz NNAIGOPKOPNDMN-RZFFKMDDSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096609 289258550 /nfs/dbraw/zinc/25/85/50/289258550.db2.gz NNAIGOPKOPNDMN-RZFFKMDDSA-N 2 2 280.362 3.065 20 0 CGADLP CCc1[nH+]c2ccccc2c(NCCCn2cc[nH+]c2)c1C ZINC000554286915 289266621 /nfs/dbraw/zinc/26/66/21/289266621.db2.gz SPWXQBIMADECIW-UHFFFAOYSA-N 2 2 294.402 3.226 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000554348738 289272919 /nfs/dbraw/zinc/27/29/19/289272919.db2.gz FPVJSCOEOSYDQR-CVEARBPZSA-N 2 2 294.508 3.126 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000554362522 289275539 /nfs/dbraw/zinc/27/55/39/289275539.db2.gz UKFGBWZGGZATNP-KZNAEPCWSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000554362522 289275544 /nfs/dbraw/zinc/27/55/44/289275544.db2.gz UKFGBWZGGZATNP-KZNAEPCWSA-N 2 2 272.436 3.429 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554829281 289312008 /nfs/dbraw/zinc/31/20/08/289312008.db2.gz KWYONTXMTSPCOX-QZTJIDSGSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554829281 289312009 /nfs/dbraw/zinc/31/20/09/289312009.db2.gz KWYONTXMTSPCOX-QZTJIDSGSA-N 2 2 296.499 3.247 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000554889763 289317594 /nfs/dbraw/zinc/31/75/94/289317594.db2.gz IDHMHKQWMCWZSE-MOIQIXESSA-N 2 2 281.403 3.357 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235435 289335003 /nfs/dbraw/zinc/33/50/03/289335003.db2.gz HBYIZKVBIWENCJ-LAQRGFTBSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235435 289335004 /nfs/dbraw/zinc/33/50/04/289335004.db2.gz HBYIZKVBIWENCJ-LAQRGFTBSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234069 289335013 /nfs/dbraw/zinc/33/50/13/289335013.db2.gz KCOIPIKVDAXHNS-KZYWPTACSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234069 289335014 /nfs/dbraw/zinc/33/50/14/289335014.db2.gz KCOIPIKVDAXHNS-KZYWPTACSA-N 2 2 284.447 3.393 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000556236017 289379444 /nfs/dbraw/zinc/37/94/44/289379444.db2.gz DXNSGWBGSURSRE-OAGGEKHMSA-N 2 2 250.430 3.338 20 0 CGADLP CCCOc1cccc2c(N[C@@H](C)C[NH+](C)C)cc[nH+]c12 ZINC000561432140 289639971 /nfs/dbraw/zinc/63/99/71/289639971.db2.gz RERORDUBPVTOFJ-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423024224 290008569 /nfs/dbraw/zinc/00/85/69/290008569.db2.gz IRSQVPKXXWXEDA-TUKIKUTGSA-N 2 2 294.826 3.284 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423102563 295297000 /nfs/dbraw/zinc/29/70/00/295297000.db2.gz XBECHPDLMGHZTL-KZNAEPCWSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102563 295297002 /nfs/dbraw/zinc/29/70/02/295297002.db2.gz XBECHPDLMGHZTL-KZNAEPCWSA-N 3 2 293.499 3.033 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000422734454 298390850 /nfs/dbraw/zinc/39/08/50/298390850.db2.gz SIRIJMHHWSOXNR-CVEARBPZSA-N 3 2 291.483 3.223 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCO2 ZINC000154617075 301211816 /nfs/dbraw/zinc/21/18/16/301211816.db2.gz UCUCDGIINMVHKM-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCO2 ZINC000154617075 301211818 /nfs/dbraw/zinc/21/18/18/301211818.db2.gz UCUCDGIINMVHKM-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000487543175 302208657 /nfs/dbraw/zinc/20/86/57/302208657.db2.gz SXXDPLNRNRBPIQ-UXLLHSPISA-N 2 2 292.492 3.329 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000582526010 329107198 /nfs/dbraw/zinc/10/71/98/329107198.db2.gz XWNNJAKGXOHQQF-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000563416312 321996015 /nfs/dbraw/zinc/99/60/15/321996015.db2.gz HYOVRKNFUGXNSD-UHFFFAOYSA-N 2 2 284.403 3.031 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000564410148 322029813 /nfs/dbraw/zinc/02/98/13/322029813.db2.gz ISOQZILCTCAJDD-QEWYBTABSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000564410148 322029814 /nfs/dbraw/zinc/02/98/14/322029814.db2.gz ISOQZILCTCAJDD-QEWYBTABSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000564410144 322029982 /nfs/dbraw/zinc/02/99/82/322029982.db2.gz ISOQZILCTCAJDD-GUSZCTEKSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000564410144 322029984 /nfs/dbraw/zinc/02/99/84/322029984.db2.gz ISOQZILCTCAJDD-GUSZCTEKSA-N 2 2 262.441 3.051 20 0 CGADLP CSc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565370546 322075172 /nfs/dbraw/zinc/07/51/72/322075172.db2.gz FLDZYZWQGXJLPU-LSDHHAIUSA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565370546 322075173 /nfs/dbraw/zinc/07/51/73/322075173.db2.gz FLDZYZWQGXJLPU-LSDHHAIUSA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565370546 322075174 /nfs/dbraw/zinc/07/51/74/322075174.db2.gz FLDZYZWQGXJLPU-LSDHHAIUSA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565370546 322075175 /nfs/dbraw/zinc/07/51/75/322075175.db2.gz FLDZYZWQGXJLPU-LSDHHAIUSA-N 2 2 276.449 3.077 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccncc1C)[NH+](C)C ZINC000565756235 322089980 /nfs/dbraw/zinc/08/99/80/322089980.db2.gz NBHZXSPVFWCOPK-VQIMIIECSA-N 2 2 297.446 3.479 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000566498868 322126775 /nfs/dbraw/zinc/12/67/75/322126775.db2.gz IVWIULURQAWWBF-WMZOPIPTSA-N 2 2 283.419 3.402 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3c2cccc3Cl)n1C ZINC000566496933 322126952 /nfs/dbraw/zinc/12/69/52/322126952.db2.gz PXFUGKRYOKANTL-HNNXBMFYSA-N 2 2 275.783 3.159 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCCCC[N@@H+](C)C1CC1 ZINC000567239797 322155718 /nfs/dbraw/zinc/15/57/18/322155718.db2.gz GBFVRXCOZSYVIX-UHFFFAOYSA-N 2 2 283.419 3.251 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCCCC[N@H+](C)C1CC1 ZINC000567239797 322155721 /nfs/dbraw/zinc/15/57/21/322155721.db2.gz GBFVRXCOZSYVIX-UHFFFAOYSA-N 2 2 283.419 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000567375299 322161073 /nfs/dbraw/zinc/16/10/73/322161073.db2.gz NYLHKZXQEOJCNP-MEDUHNTESA-N 2 2 290.407 3.174 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000567639140 322171580 /nfs/dbraw/zinc/17/15/80/322171580.db2.gz YJIXEFLHYCTISR-KBPBESRZSA-N 2 2 264.413 3.028 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000567639143 322171742 /nfs/dbraw/zinc/17/17/42/322171742.db2.gz YJIXEFLHYCTISR-ZIAGYGMSSA-N 2 2 264.413 3.028 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)C ZINC000567718031 322174766 /nfs/dbraw/zinc/17/47/66/322174766.db2.gz LEXFRXQGPFVAHS-INIZCTEOSA-N 2 2 266.473 3.475 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)C ZINC000567718031 322174768 /nfs/dbraw/zinc/17/47/68/322174768.db2.gz LEXFRXQGPFVAHS-INIZCTEOSA-N 2 2 266.473 3.475 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000567767010 322177228 /nfs/dbraw/zinc/17/72/28/322177228.db2.gz OSGMGUQNPNGKOI-SFHVURJKSA-N 2 2 283.419 3.146 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000567767010 322177229 /nfs/dbraw/zinc/17/72/29/322177229.db2.gz OSGMGUQNPNGKOI-SFHVURJKSA-N 2 2 283.419 3.146 20 0 CGADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C1CC([NH3+])C1 ZINC000567870828 322181330 /nfs/dbraw/zinc/18/13/30/322181330.db2.gz PRJVYLJIXVGSDK-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C1CC([NH3+])C1 ZINC000567870828 322181332 /nfs/dbraw/zinc/18/13/32/322181332.db2.gz PRJVYLJIXVGSDK-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000568165329 322195341 /nfs/dbraw/zinc/19/53/41/322195341.db2.gz LBRNNQUNZNVKME-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000568165329 322195344 /nfs/dbraw/zinc/19/53/44/322195344.db2.gz LBRNNQUNZNVKME-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568407801 322208307 /nfs/dbraw/zinc/20/83/07/322208307.db2.gz RUUPAMDKAPOITG-ZBFHGGJFSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568407801 322208310 /nfs/dbraw/zinc/20/83/10/322208310.db2.gz RUUPAMDKAPOITG-ZBFHGGJFSA-N 2 2 252.446 3.418 20 0 CGADLP COc1ccc(C2([NH2+]CCc3cc[nH+]cc3C)CC2)cc1 ZINC000569599471 322251737 /nfs/dbraw/zinc/25/17/37/322251737.db2.gz ATBOMTQBRLRAFM-UHFFFAOYSA-N 2 2 282.387 3.220 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056477 322317858 /nfs/dbraw/zinc/31/78/58/322317858.db2.gz ZZUOSVMTFODWPB-ZBFHGGJFSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056477 322317860 /nfs/dbraw/zinc/31/78/60/322317860.db2.gz ZZUOSVMTFODWPB-ZBFHGGJFSA-N 2 2 275.440 3.426 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000572226905 322326538 /nfs/dbraw/zinc/32/65/38/322326538.db2.gz NQXIVZWWPQVXPC-CWRNSKLLSA-N 2 2 261.413 3.304 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000572226905 322326540 /nfs/dbraw/zinc/32/65/40/322326540.db2.gz NQXIVZWWPQVXPC-CWRNSKLLSA-N 2 2 261.413 3.304 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000572303844 322330661 /nfs/dbraw/zinc/33/06/61/322330661.db2.gz YZLPYTBFVJNQGA-UBHSHLNASA-N 2 2 292.427 3.038 20 0 CGADLP Cc1cc2cc(C[N@@H+](C)CCC[NH+](C)C)oc2cc1C ZINC000572764360 322353749 /nfs/dbraw/zinc/35/37/49/322353749.db2.gz SDEBCJFCRCHBSI-UHFFFAOYSA-N 2 2 274.408 3.433 20 0 CGADLP Cc1cc2cc(C[N@H+](C)CCC[NH+](C)C)oc2cc1C ZINC000572764360 322353751 /nfs/dbraw/zinc/35/37/51/322353751.db2.gz SDEBCJFCRCHBSI-UHFFFAOYSA-N 2 2 274.408 3.433 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000573248667 322377610 /nfs/dbraw/zinc/37/76/10/322377610.db2.gz CXWQNALXMSDVCE-HNNXBMFYSA-N 2 2 272.417 3.115 20 0 CGADLP Cc1ccsc1C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000573248667 322377612 /nfs/dbraw/zinc/37/76/12/322377612.db2.gz CXWQNALXMSDVCE-HNNXBMFYSA-N 2 2 272.417 3.115 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502948 322390854 /nfs/dbraw/zinc/39/08/54/322390854.db2.gz KHJSXHIEUCFERW-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502948 322390858 /nfs/dbraw/zinc/39/08/58/322390858.db2.gz KHJSXHIEUCFERW-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000573665474 322399718 /nfs/dbraw/zinc/39/97/18/322399718.db2.gz IRVQFGVPLGOWJG-RYKRPPSOSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000573665474 322399720 /nfs/dbraw/zinc/39/97/20/322399720.db2.gz IRVQFGVPLGOWJG-RYKRPPSOSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1cccc(C)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000215398747 327228570 /nfs/dbraw/zinc/22/85/70/327228570.db2.gz VHRWMYSMCVQXQN-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582526010 329107196 /nfs/dbraw/zinc/10/71/96/329107196.db2.gz XWNNJAKGXOHQQF-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576397241 335198338 /nfs/dbraw/zinc/19/83/38/335198338.db2.gz ZLKHUPYSZSNLFP-KSZLIROESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576397241 335198339 /nfs/dbraw/zinc/19/83/39/335198339.db2.gz ZLKHUPYSZSNLFP-KSZLIROESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576397241 335198341 /nfs/dbraw/zinc/19/83/41/335198341.db2.gz ZLKHUPYSZSNLFP-KSZLIROESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576397241 335198342 /nfs/dbraw/zinc/19/83/42/335198342.db2.gz ZLKHUPYSZSNLFP-KSZLIROESA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)C1CCCCC1 ZINC000576908117 335262889 /nfs/dbraw/zinc/26/28/89/335262889.db2.gz NWTFADOMSPLGFX-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](CC(F)F)c2ccccc2)n1C ZINC000580572462 335286072 /nfs/dbraw/zinc/28/60/72/335286072.db2.gz XHPFNUCFXNTOMZ-CQSZACIVSA-N 2 2 279.334 3.215 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCC12CC2 ZINC000580581840 335290740 /nfs/dbraw/zinc/29/07/40/335290740.db2.gz LSGKMYXGBXJXOI-INIZCTEOSA-N 2 2 269.392 3.267 20 0 CGADLP Fc1ccc(CC[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000577549880 335367480 /nfs/dbraw/zinc/36/74/80/335367480.db2.gz BSIPBKGWISPSDW-UHFFFAOYSA-N 2 2 295.789 3.288 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590830 335375429 /nfs/dbraw/zinc/37/54/29/335375429.db2.gz HBLNPXJEGMPICN-ZFWWWQNUSA-N 2 2 285.391 3.390 20 0 CGADLP CC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000577596346 335375482 /nfs/dbraw/zinc/37/54/82/335375482.db2.gz CGBHLPCQOAKCMZ-UHFFFAOYSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[NH+]3CCSCC3)c2c1 ZINC000578008587 335457888 /nfs/dbraw/zinc/45/78/88/335457888.db2.gz LWKIRSYBFYQHKS-UHFFFAOYSA-N 2 2 287.432 3.004 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581621321 336113923 /nfs/dbraw/zinc/11/39/23/336113923.db2.gz LTKXIFTZQAOPCR-GOEBONIOSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581621321 336113925 /nfs/dbraw/zinc/11/39/25/336113925.db2.gz LTKXIFTZQAOPCR-GOEBONIOSA-N 2 2 269.392 3.279 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000386180453 336167593 /nfs/dbraw/zinc/16/75/93/336167593.db2.gz HNMPKPYFLPDEBR-HZSPNIEDSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000386180453 336167594 /nfs/dbraw/zinc/16/75/94/336167594.db2.gz HNMPKPYFLPDEBR-HZSPNIEDSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CCCC[NH2+]1 ZINC000386510859 336175792 /nfs/dbraw/zinc/17/57/92/336175792.db2.gz XCHVMNRHUXXYIT-UBHSHLNASA-N 2 2 264.438 3.246 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386891741 336181969 /nfs/dbraw/zinc/18/19/69/336181969.db2.gz NPHKMHVHRAVHJY-IRXDYDNUSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386891741 336181971 /nfs/dbraw/zinc/18/19/71/336181971.db2.gz NPHKMHVHRAVHJY-IRXDYDNUSA-N 2 2 260.425 3.287 20 0 CGADLP COCC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386961631 336183182 /nfs/dbraw/zinc/18/31/82/336183182.db2.gz ZFJAUVORSAQNIO-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386961631 336183183 /nfs/dbraw/zinc/18/31/83/336183183.db2.gz ZFJAUVORSAQNIO-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000449400862 533726084 /nfs/dbraw/zinc/72/60/84/533726084.db2.gz DMKGHVHATULYBM-HNAYVOBHSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000449400862 533726093 /nfs/dbraw/zinc/72/60/93/533726093.db2.gz DMKGHVHATULYBM-HNAYVOBHSA-N 2 2 295.430 3.000 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300427 533732606 /nfs/dbraw/zinc/73/26/06/533732606.db2.gz MHOHSMUKMNFABF-WMLDXEAASA-N 2 2 269.392 3.346 20 0 CGADLP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300427 533732620 /nfs/dbraw/zinc/73/26/20/533732620.db2.gz MHOHSMUKMNFABF-WMLDXEAASA-N 2 2 269.392 3.346 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000365832023 533803215 /nfs/dbraw/zinc/80/32/15/533803215.db2.gz NLBXJKKMUGAUGW-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C ZINC000365832023 533803223 /nfs/dbraw/zinc/80/32/23/533803223.db2.gz NLBXJKKMUGAUGW-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000436444341 533847233 /nfs/dbraw/zinc/84/72/33/533847233.db2.gz MZQOTOGBHILOFA-OLZOCXBDSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000436444341 533847245 /nfs/dbraw/zinc/84/72/45/533847245.db2.gz MZQOTOGBHILOFA-OLZOCXBDSA-N 2 2 285.391 3.138 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000423420323 533890409 /nfs/dbraw/zinc/89/04/09/533890409.db2.gz JICPRRYPYOTTQS-KSSFIOAISA-N 2 2 266.388 3.224 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)oc21 ZINC000423551745 533911444 /nfs/dbraw/zinc/91/14/44/533911444.db2.gz JLZHVQGNWYKPKU-GXTWGEPZSA-N 2 2 288.391 3.234 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423278669 533995289 /nfs/dbraw/zinc/99/52/89/533995289.db2.gz QCEAOBRIYYFWGU-SMDDNHRTSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436236217 534123979 /nfs/dbraw/zinc/12/39/79/534123979.db2.gz DZDFHFNMKAHYDO-BPQIPLTHSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436236217 534123987 /nfs/dbraw/zinc/12/39/87/534123987.db2.gz DZDFHFNMKAHYDO-BPQIPLTHSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000449331108 534156576 /nfs/dbraw/zinc/15/65/76/534156576.db2.gz XMEUJJWPSZUCRZ-MDZRGWNJSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000449331108 534156583 /nfs/dbraw/zinc/15/65/83/534156583.db2.gz XMEUJJWPSZUCRZ-MDZRGWNJSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449255975 534267279 /nfs/dbraw/zinc/26/72/79/534267279.db2.gz BFHROFCTSIVGTR-ZFWWWQNUSA-N 2 2 295.386 3.165 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423244451 534495313 /nfs/dbraw/zinc/49/53/13/534495313.db2.gz XNTHEHNJXGANKP-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP CCC[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000164204162 521683276 /nfs/dbraw/zinc/68/32/76/521683276.db2.gz FNFXYEBXZRNUQD-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000164204162 521683277 /nfs/dbraw/zinc/68/32/77/521683277.db2.gz FNFXYEBXZRNUQD-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000449345182 534710913 /nfs/dbraw/zinc/71/09/13/534710913.db2.gz UOJWBHPVXIENFL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1F ZINC000449345182 534710916 /nfs/dbraw/zinc/71/09/16/534710916.db2.gz UOJWBHPVXIENFL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1F ZINC000449345182 534710921 /nfs/dbraw/zinc/71/09/21/534710921.db2.gz UOJWBHPVXIENFL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1F ZINC000449345182 534710928 /nfs/dbraw/zinc/71/09/28/534710928.db2.gz UOJWBHPVXIENFL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C(F)(F)F)n1-c1ccccc1 ZINC000359135378 534740370 /nfs/dbraw/zinc/74/03/70/534740370.db2.gz FFKSKCDQVFHIDS-NSHDSACASA-N 2 2 297.324 3.469 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000155588303 524315508 /nfs/dbraw/zinc/31/55/08/524315508.db2.gz PNELYEIZWVAAQQ-CRAIPNDOSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000368565825 534852483 /nfs/dbraw/zinc/85/24/83/534852483.db2.gz FXDXLRPIPRHYGZ-GOSISDBHSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000368565825 534852486 /nfs/dbraw/zinc/85/24/86/534852486.db2.gz FXDXLRPIPRHYGZ-GOSISDBHSA-N 2 2 298.434 3.202 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1(C)C ZINC000463021673 534914040 /nfs/dbraw/zinc/91/40/40/534914040.db2.gz HMWOCEIFURUJRM-BHYGNILZSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1(C)C ZINC000463021673 534914047 /nfs/dbraw/zinc/91/40/47/534914047.db2.gz HMWOCEIFURUJRM-BHYGNILZSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)(C)SCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000369204158 526603713 /nfs/dbraw/zinc/60/37/13/526603713.db2.gz FIPOYGIKOGXXPE-LBPRGKRZSA-N 2 2 267.442 3.121 20 0 CGADLP CC(C)(C)SCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000369204158 526603717 /nfs/dbraw/zinc/60/37/17/526603717.db2.gz FIPOYGIKOGXXPE-LBPRGKRZSA-N 2 2 267.442 3.121 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000179835170 527733568 /nfs/dbraw/zinc/73/35/68/527733568.db2.gz LNKGRLZXIHHMGW-XJKSGUPXSA-N 2 2 276.424 3.365 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093173 527744273 /nfs/dbraw/zinc/74/42/73/527744273.db2.gz WIDOOPKKZLLMAW-GWCFXTLKSA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093173 527744275 /nfs/dbraw/zinc/74/42/75/527744275.db2.gz WIDOOPKKZLLMAW-GWCFXTLKSA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230833 527758188 /nfs/dbraw/zinc/75/81/88/527758188.db2.gz SSVHOJORMTXASH-UKRRQHHQSA-N 2 2 293.455 3.411 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230833 527758197 /nfs/dbraw/zinc/75/81/97/527758197.db2.gz SSVHOJORMTXASH-UKRRQHHQSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230833 527758205 /nfs/dbraw/zinc/75/82/05/527758205.db2.gz SSVHOJORMTXASH-UKRRQHHQSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230833 527758208 /nfs/dbraw/zinc/75/82/08/527758208.db2.gz SSVHOJORMTXASH-UKRRQHHQSA-N 2 2 293.455 3.411 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868092 527806318 /nfs/dbraw/zinc/80/63/18/527806318.db2.gz QETSSNKIAUSUMJ-FPCVCCKLSA-N 2 2 275.440 3.248 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437965170 528119956 /nfs/dbraw/zinc/11/99/56/528119956.db2.gz USLFUIYUGUBKQQ-KBPBESRZSA-N 2 2 290.373 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437965170 528119961 /nfs/dbraw/zinc/11/99/61/528119961.db2.gz USLFUIYUGUBKQQ-KBPBESRZSA-N 2 2 290.373 3.349 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423231342 528162101 /nfs/dbraw/zinc/16/21/01/528162101.db2.gz GJAOMTJZSJUZBK-ZBFHGGJFSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103951 528208711 /nfs/dbraw/zinc/20/87/11/528208711.db2.gz ZMQHYBIWPDCTBQ-DZGCQCFKSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103951 528208717 /nfs/dbraw/zinc/20/87/17/528208717.db2.gz ZMQHYBIWPDCTBQ-DZGCQCFKSA-N 2 2 299.418 3.405 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)C1CCCC1 ZINC000449219469 528234635 /nfs/dbraw/zinc/23/46/35/528234635.db2.gz APHGFWXPGWRDLF-RDJZCZTQSA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423390380 528422544 /nfs/dbraw/zinc/42/25/44/528422544.db2.gz VWCNNNKLEZPFIG-MNOVXSKESA-N 2 2 285.229 3.098 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423367286 528423818 /nfs/dbraw/zinc/42/38/18/528423818.db2.gz ACXGRLBRSWDMTR-ABAIWWIYSA-N 2 2 270.367 3.250 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000368662252 528457685 /nfs/dbraw/zinc/45/76/85/528457685.db2.gz HNOXGVDIIXIUQB-INIZCTEOSA-N 2 2 299.418 3.257 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000427702717 528493303 /nfs/dbraw/zinc/49/33/03/528493303.db2.gz BRZRBOMIAWAXOY-CRAIPNDOSA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000427702717 528493306 /nfs/dbraw/zinc/49/33/06/528493306.db2.gz BRZRBOMIAWAXOY-CRAIPNDOSA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000423269692 528533295 /nfs/dbraw/zinc/53/32/95/528533295.db2.gz HJJDCZRSFKVQJH-LSDHHAIUSA-N 2 2 270.367 3.235 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358081374 528574845 /nfs/dbraw/zinc/57/48/45/528574845.db2.gz HYRUFALFNRLBMH-HYVNUMGLSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358081374 528574849 /nfs/dbraw/zinc/57/48/49/528574849.db2.gz HYRUFALFNRLBMH-HYVNUMGLSA-N 2 2 260.425 3.314 20 0 CGADLP CCCc1csc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)n1 ZINC000426416437 528659701 /nfs/dbraw/zinc/65/97/01/528659701.db2.gz IPDQHTIMNXTNQB-UKRRQHHQSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)n1 ZINC000426416437 528659707 /nfs/dbraw/zinc/65/97/07/528659707.db2.gz IPDQHTIMNXTNQB-UKRRQHHQSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000426416437 528659711 /nfs/dbraw/zinc/65/97/11/528659711.db2.gz IPDQHTIMNXTNQB-UKRRQHHQSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000426416437 528659713 /nfs/dbraw/zinc/65/97/13/528659713.db2.gz IPDQHTIMNXTNQB-UKRRQHHQSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000428248107 528717085 /nfs/dbraw/zinc/71/70/85/528717085.db2.gz AZZPZGUGCQUTNJ-UHFFFAOYSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000428248107 528717089 /nfs/dbraw/zinc/71/70/89/528717089.db2.gz AZZPZGUGCQUTNJ-UHFFFAOYSA-N 2 2 293.455 3.240 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423294816 528824124 /nfs/dbraw/zinc/82/41/24/528824124.db2.gz CUFPICLOHHUCNT-FUHWJXTLSA-N 2 2 283.419 3.278 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447945186 529002024 /nfs/dbraw/zinc/00/20/24/529002024.db2.gz PGVGUNVMJVOCRP-UHFFFAOYSA-N 2 2 295.496 3.403 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423278623 529070605 /nfs/dbraw/zinc/07/06/05/529070605.db2.gz RAXFVNBRXSHJSC-GXTWGEPZSA-N 2 2 289.448 3.444 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000358922170 529122746 /nfs/dbraw/zinc/12/27/46/529122746.db2.gz BOPOSAIRZCKRRX-CJNGLKHVSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000358922170 529122749 /nfs/dbraw/zinc/12/27/49/529122749.db2.gz BOPOSAIRZCKRRX-CJNGLKHVSA-N 2 2 282.378 3.346 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000420352427 529130064 /nfs/dbraw/zinc/13/00/64/529130064.db2.gz AEJGBEDKBBGOGH-AWEZNQCLSA-N 2 2 293.480 3.278 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244787 529257268 /nfs/dbraw/zinc/25/72/68/529257268.db2.gz XTDGFRPHFMXTII-CHWSQXEVSA-N 2 2 264.438 3.201 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000479408197 535783736 /nfs/dbraw/zinc/78/37/36/535783736.db2.gz HIABCUBNKLEGPE-GUYCJALGSA-N 2 2 296.405 3.217 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000479408197 535783740 /nfs/dbraw/zinc/78/37/40/535783740.db2.gz HIABCUBNKLEGPE-GUYCJALGSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000742371794 572569881 /nfs/dbraw/zinc/56/98/81/572569881.db2.gz DLEIZLNWTQVTDH-XLMAVXFVSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000742371794 572569885 /nfs/dbraw/zinc/56/98/85/572569885.db2.gz DLEIZLNWTQVTDH-XLMAVXFVSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742393653 572575905 /nfs/dbraw/zinc/57/59/05/572575905.db2.gz ZJXSBXZRERBEKB-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000177748121 618064850 /nfs/dbraw/zinc/06/48/50/618064850.db2.gz LDNPFJRTCYXTSK-UHFFFAOYSA-N 2 2 281.359 3.318 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732390 618307162 /nfs/dbraw/zinc/30/71/62/618307162.db2.gz PUXVTLNIKHZYSH-JUPLKNRCSA-N 2 2 290.838 3.237 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732390 618307168 /nfs/dbraw/zinc/30/71/68/618307168.db2.gz PUXVTLNIKHZYSH-JUPLKNRCSA-N 2 2 290.838 3.237 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732390 618307177 /nfs/dbraw/zinc/30/71/77/618307177.db2.gz PUXVTLNIKHZYSH-JUPLKNRCSA-N 2 2 290.838 3.237 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732390 618307187 /nfs/dbraw/zinc/30/71/87/618307187.db2.gz PUXVTLNIKHZYSH-JUPLKNRCSA-N 2 2 290.838 3.237 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000125126326 618493700 /nfs/dbraw/zinc/49/37/00/618493700.db2.gz BXEFDFWZGLWIIQ-INIZCTEOSA-N 2 2 285.435 3.207 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cn1 ZINC000892659731 618890462 /nfs/dbraw/zinc/89/04/62/618890462.db2.gz VJTOPCWDJAWKJZ-UHFFFAOYSA-N 2 2 286.423 3.047 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)o1 ZINC000926789102 618892812 /nfs/dbraw/zinc/89/28/12/618892812.db2.gz OTOSHWCQSIAZDH-UHFFFAOYSA-N 2 2 264.413 3.188 20 0 CGADLP Cc1nc(C[NH2+]CCCCNc2cccc[nH+]2)sc1C ZINC000892872088 618946421 /nfs/dbraw/zinc/94/64/21/618946421.db2.gz QGMXFXPSNDPKHK-UHFFFAOYSA-N 2 2 290.436 3.137 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925520650 619013250 /nfs/dbraw/zinc/01/32/50/619013250.db2.gz SBJBPTDBPQGWKN-CRAIPNDOSA-N 2 2 290.451 3.404 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccco2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714034 619048768 /nfs/dbraw/zinc/04/87/68/619048768.db2.gz KDRLRHVMJTUBFX-SFHVURJKSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccco2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714034 619048771 /nfs/dbraw/zinc/04/87/71/619048771.db2.gz KDRLRHVMJTUBFX-SFHVURJKSA-N 2 2 284.403 3.281 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925613027 619087153 /nfs/dbraw/zinc/08/71/53/619087153.db2.gz WMEBTMDMVCFFLP-ZGUYJTEBSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925613027 619087154 /nfs/dbraw/zinc/08/71/54/619087154.db2.gz WMEBTMDMVCFFLP-ZGUYJTEBSA-N 2 2 294.483 3.329 20 0 CGADLP CC[C@@H](OCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925714185 619159742 /nfs/dbraw/zinc/15/97/42/619159742.db2.gz WJEZORUPYGKTML-SJORKVTESA-N 2 2 288.435 3.029 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)c2ccccc21 ZINC000925820452 619266361 /nfs/dbraw/zinc/26/63/61/619266361.db2.gz FRJFHQSEJDMVFQ-BPQIPLTHSA-N 2 2 279.387 3.267 20 0 CGADLP C[NH+]1CCC(CNc2ccc(C3CCC3)c[nH+]2)CC1 ZINC000894644914 619594419 /nfs/dbraw/zinc/59/44/19/619594419.db2.gz HLRKZNQQWHYWRE-UHFFFAOYSA-N 2 2 259.397 3.103 20 0 CGADLP C[C@H]1CCC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110197 619733404 /nfs/dbraw/zinc/73/34/04/619733404.db2.gz COILAKXNXYWRHG-YHUYYLMFSA-N 2 2 273.424 3.347 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000895376538 619815668 /nfs/dbraw/zinc/81/56/68/619815668.db2.gz COJIDYJMEFKEPE-XJKSGUPXSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000895376538 619815669 /nfs/dbraw/zinc/81/56/69/619815669.db2.gz COJIDYJMEFKEPE-XJKSGUPXSA-N 2 2 295.858 3.287 20 0 CGADLP COC1CCC(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000895563720 619851077 /nfs/dbraw/zinc/85/10/77/619851077.db2.gz CTUOPCDSJXYIDW-NXYGQSRBSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000895563720 619851080 /nfs/dbraw/zinc/85/10/80/619851080.db2.gz CTUOPCDSJXYIDW-NXYGQSRBSA-N 2 2 294.483 3.188 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000895671967 619869346 /nfs/dbraw/zinc/86/93/46/619869346.db2.gz RXJQSNNCQCTTPU-UHFFFAOYSA-N 2 2 283.419 3.228 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000895672011 619869463 /nfs/dbraw/zinc/86/94/63/619869463.db2.gz SVDZDTKAPPFUID-RQOWECAXSA-N 2 2 288.410 3.399 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000895827295 619889427 /nfs/dbraw/zinc/88/94/27/619889427.db2.gz JQUSFNUFQFJDNB-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000221150028 620246537 /nfs/dbraw/zinc/24/65/37/620246537.db2.gz TZMWLXBXVDQVTH-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000221150028 620246540 /nfs/dbraw/zinc/24/65/40/620246540.db2.gz TZMWLXBXVDQVTH-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP c1ccc2ncc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2c1 ZINC000897980844 620461419 /nfs/dbraw/zinc/46/14/19/620461419.db2.gz DWRYOCKCGIPSEJ-UHFFFAOYSA-N 2 2 295.430 3.341 20 0 CGADLP C(=C/c1ccccc1)\C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981782 620462280 /nfs/dbraw/zinc/46/22/80/620462280.db2.gz QIFCJFYRQJTHRT-VMPITWQZSA-N 2 2 270.420 3.306 20 0 CGADLP CCO[C@H](C[NH2+][C@H](C)c1coc2ccccc12)C[NH+](C)C ZINC000926957426 620554864 /nfs/dbraw/zinc/55/48/64/620554864.db2.gz BMWYMEYYJCUYFH-ZIAGYGMSSA-N 2 2 290.407 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1c(F)cccc1F ZINC000902318770 621241991 /nfs/dbraw/zinc/24/19/91/621241991.db2.gz IZDKUNKCAVQVSK-NWDGAFQWSA-N 2 2 282.378 3.394 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C1 ZINC000902405186 621308493 /nfs/dbraw/zinc/30/84/93/621308493.db2.gz JMAZMRFHCWKMAS-GJZGRUSLSA-N 2 2 282.378 3.204 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436606 621317914 /nfs/dbraw/zinc/31/79/14/621317914.db2.gz CJTZDROZIDWFSH-YXUGBTPSSA-N 2 2 280.415 3.393 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC000902445277 621322937 /nfs/dbraw/zinc/32/29/37/621322937.db2.gz PRJBJTYGNVIFRS-SGIREYDYSA-N 2 2 272.417 3.332 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)ccc1F ZINC000902464839 621337837 /nfs/dbraw/zinc/33/78/37/621337837.db2.gz DEQHIEDWCSSULE-RKTXRCNFSA-N 2 2 274.383 3.068 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000902486291 621354779 /nfs/dbraw/zinc/35/47/79/621354779.db2.gz CZGRZMNJLPHQGG-WBVHZDCISA-N 2 2 298.434 3.055 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902775781 621435029 /nfs/dbraw/zinc/43/50/29/621435029.db2.gz BPVLCMCNQSHBGZ-IAOVAPTHSA-N 2 2 285.391 3.090 20 0 CGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895177 621489323 /nfs/dbraw/zinc/48/93/23/621489323.db2.gz VVJINSLHZZZJGP-QILLFSRXSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006151 621529209 /nfs/dbraw/zinc/52/92/09/621529209.db2.gz FFUQWMRGFZKBEI-UONOGXRCSA-N 2 2 287.407 3.072 20 0 CGADLP c1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)nc1 ZINC000903105345 621578688 /nfs/dbraw/zinc/57/86/88/621578688.db2.gz BFZOSPHCWPRPQY-QGZVFWFLSA-N 2 2 282.391 3.020 20 0 CGADLP c1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903196466 621622299 /nfs/dbraw/zinc/62/22/99/621622299.db2.gz OWYCIPVVRXDBHM-LQDVMPOASA-N 2 2 297.402 3.075 20 0 CGADLP c1ccc2c(c1)onc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903196466 621622303 /nfs/dbraw/zinc/62/23/03/621622303.db2.gz OWYCIPVVRXDBHM-LQDVMPOASA-N 2 2 297.402 3.075 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1OC ZINC000903370920 621717927 /nfs/dbraw/zinc/71/79/27/621717927.db2.gz LHUOSCQESYZWMA-XPKDYRNWSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1OC ZINC000903370920 621717933 /nfs/dbraw/zinc/71/79/33/621717933.db2.gz LHUOSCQESYZWMA-XPKDYRNWSA-N 2 2 294.414 3.358 20 0 CGADLP Fc1ccccc1C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903719035 621796263 /nfs/dbraw/zinc/79/62/63/621796263.db2.gz UJCZPIBYSZSXOO-AWEZNQCLSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccccc1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903719035 621796265 /nfs/dbraw/zinc/79/62/65/621796265.db2.gz UJCZPIBYSZSXOO-AWEZNQCLSA-N 2 2 276.399 3.180 20 0 CGADLP Cc1csc(C[C@H]2CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000903955006 621843263 /nfs/dbraw/zinc/84/32/63/621843263.db2.gz YBRIPHFHHDTFNZ-HUUCEWRRSA-N 2 2 295.496 3.079 20 0 CGADLP Cc1csc(C[C@H]2CCC[N@H+](C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000903955006 621843264 /nfs/dbraw/zinc/84/32/64/621843264.db2.gz YBRIPHFHHDTFNZ-HUUCEWRRSA-N 2 2 295.496 3.079 20 0 CGADLP CC(C)COC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313767 621903853 /nfs/dbraw/zinc/90/38/53/621903853.db2.gz ZYWXOKGYUSYSPA-HNNXBMFYSA-N 2 2 284.488 3.277 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC000904461330 621921705 /nfs/dbraw/zinc/92/17/05/621921705.db2.gz HKEQVBFGMUNHAS-HZPDHXFCSA-N 2 2 272.417 3.025 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1([NH3+])CC1 ZINC000904443194 621922444 /nfs/dbraw/zinc/92/24/44/621922444.db2.gz HZMPLZHVLIYTAA-UHFFFAOYSA-N 2 2 296.414 3.252 20 0 CGADLP CN(C)c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC000904850692 622008018 /nfs/dbraw/zinc/00/80/18/622008018.db2.gz XCZVDNDQDBCFHC-MRXNPFEDSA-N 2 2 267.376 3.239 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1C ZINC000753660850 623473035 /nfs/dbraw/zinc/47/30/35/623473035.db2.gz AFKOCPDWCPFOEY-HZPDHXFCSA-N 2 2 290.451 3.447 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1C ZINC000753660850 623473038 /nfs/dbraw/zinc/47/30/38/623473038.db2.gz AFKOCPDWCPFOEY-HZPDHXFCSA-N 2 2 290.451 3.447 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000152526369 623687373 /nfs/dbraw/zinc/68/73/73/623687373.db2.gz RPHNSBFHIABPPJ-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000182627641 625021534 /nfs/dbraw/zinc/02/15/34/625021534.db2.gz MPLWVPOFVUAZPO-AWEZNQCLSA-N 2 2 273.424 3.039 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C\c1ccccc1)c1cccnc1 ZINC000922633038 626022615 /nfs/dbraw/zinc/02/26/15/626022615.db2.gz WZPBFDRXRCITAJ-FUKWUPMWSA-N 2 2 295.430 3.377 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753611898 626458696 /nfs/dbraw/zinc/45/86/96/626458696.db2.gz PVRAPMLYFMNVFQ-CVEARBPZSA-N 2 2 290.451 3.447 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753611898 626458698 /nfs/dbraw/zinc/45/86/98/626458698.db2.gz PVRAPMLYFMNVFQ-CVEARBPZSA-N 2 2 290.451 3.447 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871623 627230976 /nfs/dbraw/zinc/23/09/76/627230976.db2.gz XZBIJPXXTANXMK-AEFFLSMTSA-N 2 2 272.436 3.446 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000766267648 627308221 /nfs/dbraw/zinc/30/82/21/627308221.db2.gz HAHMYPDBCXZWLZ-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000766267648 627308223 /nfs/dbraw/zinc/30/82/23/627308223.db2.gz HAHMYPDBCXZWLZ-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)c1ccccc1 ZINC000766271409 627309875 /nfs/dbraw/zinc/30/98/75/627309875.db2.gz FYDYDQRFSVIONW-CVEARBPZSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)c1ccccc1 ZINC000766271409 627309879 /nfs/dbraw/zinc/30/98/79/627309879.db2.gz FYDYDQRFSVIONW-CVEARBPZSA-N 2 2 274.452 3.427 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000125126531 634599209 /nfs/dbraw/zinc/59/92/09/634599209.db2.gz BXEFDFWZGLWIIQ-MRXNPFEDSA-N 2 2 285.435 3.207 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000773091300 627854441 /nfs/dbraw/zinc/85/44/41/627854441.db2.gz VWDPFEXTCVIBFH-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000774135012 627949787 /nfs/dbraw/zinc/94/97/87/627949787.db2.gz RKFMPBZJBSDQFE-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000774211436 627963629 /nfs/dbraw/zinc/96/36/29/627963629.db2.gz TYSCVJROBBFVHJ-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000774211436 627963631 /nfs/dbraw/zinc/96/36/31/627963631.db2.gz TYSCVJROBBFVHJ-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP Cc1cccc(NCCNc2cc[nH+]c3c(O)cccc23)[nH+]1 ZINC000795095362 629631155 /nfs/dbraw/zinc/63/11/55/629631155.db2.gz KURRMCRKCSNYEP-UHFFFAOYSA-N 2 2 294.358 3.168 20 0 CGADLP c1cn(CCCC2CC[NH+](C[C@H]3CCC=CO3)CC2)c[nH+]1 ZINC000809750034 630798809 /nfs/dbraw/zinc/79/88/09/630798809.db2.gz VBMNJXLWXFUOCD-QGZVFWFLSA-N 2 2 289.423 3.068 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809750331 630799273 /nfs/dbraw/zinc/79/92/73/630799273.db2.gz UJTASFXAJZMJMX-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc2ccccc2c1 ZINC000809750331 630799276 /nfs/dbraw/zinc/79/92/76/630799276.db2.gz UJTASFXAJZMJMX-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP C[C@@H](F)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000815149775 631730641 /nfs/dbraw/zinc/73/06/41/631730641.db2.gz ZGTARAITVWCXDJ-CQSZACIVSA-N 2 2 293.430 3.059 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000816536590 632006109 /nfs/dbraw/zinc/00/61/09/632006109.db2.gz DHECAESWSOVHFO-CABCVRRESA-N 2 2 261.413 3.386 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817942360 632240499 /nfs/dbraw/zinc/24/04/99/632240499.db2.gz XZGBZTJUVHJIBF-ZYHUDNBSSA-N 2 2 286.391 3.404 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401345 632764702 /nfs/dbraw/zinc/76/47/02/632764702.db2.gz CPAYJNJSBIACRO-YOEHRIQHSA-N 2 2 285.391 3.092 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361285 633100759 /nfs/dbraw/zinc/10/07/59/633100759.db2.gz MFEOIMYCNMNWDM-IAQYHMDHSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361191 633101302 /nfs/dbraw/zinc/10/13/02/633101302.db2.gz KXZSLILVBMCKON-OMPKRAJASA-N 2 2 299.393 3.319 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361287 633101711 /nfs/dbraw/zinc/10/17/11/633101711.db2.gz MFEOIMYCNMNWDM-XHDPSFHLSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000866386443 633115669 /nfs/dbraw/zinc/11/56/69/633115669.db2.gz AOWOWUUGGUXDML-NJAFHUGGSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000866386443 633115674 /nfs/dbraw/zinc/11/56/74/633115674.db2.gz AOWOWUUGGUXDML-NJAFHUGGSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585343 633203578 /nfs/dbraw/zinc/20/35/78/633203578.db2.gz WHAZRRQLAICQHT-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585343 633203585 /nfs/dbraw/zinc/20/35/85/633203585.db2.gz WHAZRRQLAICQHT-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585343 633203590 /nfs/dbraw/zinc/20/35/90/633203590.db2.gz WHAZRRQLAICQHT-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585343 633203595 /nfs/dbraw/zinc/20/35/95/633203595.db2.gz WHAZRRQLAICQHT-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1F)[NH+]1CCCCC1 ZINC000824153778 633206458 /nfs/dbraw/zinc/20/64/58/633206458.db2.gz VLDPAMGJFJRCND-LBPRGKRZSA-N 2 2 299.821 3.228 20 0 CGADLP Cc1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000824383733 633240368 /nfs/dbraw/zinc/24/03/68/633240368.db2.gz UIPCQSWFGSQXKZ-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000824383733 633240372 /nfs/dbraw/zinc/24/03/72/633240372.db2.gz UIPCQSWFGSQXKZ-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(O)c1F ZINC000872017495 633938192 /nfs/dbraw/zinc/93/81/92/633938192.db2.gz ARZZXTQMOFGBBP-ZDUSSCGKSA-N 2 2 280.387 3.058 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872034325 633952861 /nfs/dbraw/zinc/95/28/61/633952861.db2.gz GSCBXKIOVRWLQM-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872034325 633952866 /nfs/dbraw/zinc/95/28/66/633952866.db2.gz GSCBXKIOVRWLQM-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872034323 633953495 /nfs/dbraw/zinc/95/34/95/633953495.db2.gz GSCBXKIOVRWLQM-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872034323 633953498 /nfs/dbraw/zinc/95/34/98/633953498.db2.gz GSCBXKIOVRWLQM-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000872035662 633954727 /nfs/dbraw/zinc/95/47/27/633954727.db2.gz XYNQYEIMCDRLFZ-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000872035662 633954729 /nfs/dbraw/zinc/95/47/29/633954729.db2.gz XYNQYEIMCDRLFZ-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000872040058 633960491 /nfs/dbraw/zinc/96/04/91/633960491.db2.gz WSGXAJAXSLPYLN-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000872040058 633960495 /nfs/dbraw/zinc/96/04/95/633960495.db2.gz WSGXAJAXSLPYLN-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000872065845 633988762 /nfs/dbraw/zinc/98/87/62/633988762.db2.gz HHXZVQHWXUGOBW-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000872065845 633988766 /nfs/dbraw/zinc/98/87/66/633988766.db2.gz HHXZVQHWXUGOBW-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000872089610 634015564 /nfs/dbraw/zinc/01/55/64/634015564.db2.gz AUIHEFWDWKCEDW-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000872089610 634015568 /nfs/dbraw/zinc/01/55/68/634015568.db2.gz AUIHEFWDWKCEDW-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccsc1 ZINC000834607102 634196756 /nfs/dbraw/zinc/19/67/56/634196756.db2.gz QAPJBNPJAHOZGP-TZMCWYRMSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccsc1 ZINC000834607102 634196758 /nfs/dbraw/zinc/19/67/58/634196758.db2.gz QAPJBNPJAHOZGP-TZMCWYRMSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccsc1 ZINC000834607100 634197415 /nfs/dbraw/zinc/19/74/15/634197415.db2.gz QAPJBNPJAHOZGP-JSGCOSHPSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccsc1 ZINC000834607100 634197419 /nfs/dbraw/zinc/19/74/19/634197419.db2.gz QAPJBNPJAHOZGP-JSGCOSHPSA-N 2 2 252.427 3.273 20 0 CGADLP c1c(CNc2ccc3c(c2)CCC[NH2+]3)sc2c1C[NH2+]CC2 ZINC000873210440 634285911 /nfs/dbraw/zinc/28/59/11/634285911.db2.gz GIOJDRHLBMZXKN-UHFFFAOYSA-N 2 2 299.443 3.364 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)cc2)c[nH+]1 ZINC000877719176 635163739 /nfs/dbraw/zinc/16/37/39/635163739.db2.gz MSALHZMHJNHTSE-CALCHBBNSA-N 2 2 279.387 3.270 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)cc2)c[nH+]1 ZINC000877719176 635163743 /nfs/dbraw/zinc/16/37/43/635163743.db2.gz MSALHZMHJNHTSE-CALCHBBNSA-N 2 2 279.387 3.270 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000843054177 635551930 /nfs/dbraw/zinc/55/19/30/635551930.db2.gz QLCBBUOKWYPRFN-ZXFUBFMLSA-N 2 2 297.402 3.186 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000843054177 635551932 /nfs/dbraw/zinc/55/19/32/635551932.db2.gz QLCBBUOKWYPRFN-ZXFUBFMLSA-N 2 2 297.402 3.186 20 0 CGADLP COC(C)(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570217 636022951 /nfs/dbraw/zinc/02/29/51/636022951.db2.gz UWIUCMWSQPZGOE-INIZCTEOSA-N 2 2 287.407 3.029 20 0 CGADLP C[C@@H]1C[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000880569998 636023168 /nfs/dbraw/zinc/02/31/68/636023168.db2.gz RPQIUPQARPQXSN-NUJGCVRESA-N 2 2 299.418 3.029 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848928099 636700325 /nfs/dbraw/zinc/70/03/25/636700325.db2.gz VYCJWMMQXXLWLF-IRXDYDNUSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848928099 636700326 /nfs/dbraw/zinc/70/03/26/636700326.db2.gz VYCJWMMQXXLWLF-IRXDYDNUSA-N 2 2 294.389 3.114 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387727 636728566 /nfs/dbraw/zinc/72/85/66/636728566.db2.gz CVYBTABEEQXKPM-KBMXLJTQSA-N 2 2 255.365 3.013 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cncs1 ZINC000883387168 636729372 /nfs/dbraw/zinc/72/93/72/636729372.db2.gz SNGZXKMODFYYDD-DZGCQCFKSA-N 2 2 298.415 3.432 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2CCCSC2)c2ccccc2)c[nH+]1 ZINC000883386361 636729527 /nfs/dbraw/zinc/72/95/27/636729527.db2.gz DSGNSQOZVCSNNS-HOTGVXAUSA-N 2 2 287.432 3.110 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397859 636739677 /nfs/dbraw/zinc/73/96/77/636739677.db2.gz XPCYZHLRDGTUMK-NVXWUHKLSA-N 2 2 287.407 3.028 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000886168118 637446795 /nfs/dbraw/zinc/44/67/95/637446795.db2.gz JAGYARDMBNAXHB-KBAYOESNSA-N 2 2 294.483 3.331 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000886168118 637446798 /nfs/dbraw/zinc/44/67/98/637446798.db2.gz JAGYARDMBNAXHB-KBAYOESNSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000886522434 637551454 /nfs/dbraw/zinc/55/14/54/637551454.db2.gz JCUQSQOLNCSDAT-INIZCTEOSA-N 2 2 275.440 3.171 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000886711177 637668169 /nfs/dbraw/zinc/66/81/69/637668169.db2.gz OJHJMFULDUPSLW-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000924587030 638369530 /nfs/dbraw/zinc/36/95/30/638369530.db2.gz YOROXCFMNOUJNZ-CQSZACIVSA-N 2 2 287.407 3.367 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924616613 638376399 /nfs/dbraw/zinc/37/63/99/638376399.db2.gz DLIRMJRGVJQAKX-HNNXBMFYSA-N 2 2 295.858 3.432 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924616613 638376407 /nfs/dbraw/zinc/37/64/07/638376407.db2.gz DLIRMJRGVJQAKX-HNNXBMFYSA-N 2 2 295.858 3.432 20 0 CGADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770775 638402318 /nfs/dbraw/zinc/40/23/18/638402318.db2.gz SWJPXYLAKOVOPS-SJORKVTESA-N 2 2 299.418 3.023 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cnn(C2CCC2)c1 ZINC000925167363 638466786 /nfs/dbraw/zinc/46/67/86/638466786.db2.gz BVBWCYVHYRTFHF-ZIAGYGMSSA-N 2 2 299.422 3.033 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000925185485 638469405 /nfs/dbraw/zinc/46/94/05/638469405.db2.gz ZSKOBUYVIFHDDS-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925719055 638578999 /nfs/dbraw/zinc/57/89/99/638578999.db2.gz QHVFSDRGPHEQKX-SMDDNHRTSA-N 2 2 293.361 3.267 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925720236 638580631 /nfs/dbraw/zinc/58/06/31/638580631.db2.gz XBBRFPLABDTHAO-ZDUSSCGKSA-N 2 2 286.341 3.022 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871815 638636977 /nfs/dbraw/zinc/63/69/77/638636977.db2.gz ITAJZZJIQDKPMI-ZTFGCOKTSA-N 2 2 295.430 3.007 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000925874571 638638307 /nfs/dbraw/zinc/63/83/07/638638307.db2.gz KLBNDCLFFIBGCF-AFAVFJNCSA-N 2 2 294.389 3.284 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000926231361 638748523 /nfs/dbraw/zinc/74/85/23/638748523.db2.gz ZXXGZNVDJAYKPS-HGTKMLMNSA-N 2 2 273.424 3.002 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926738046 638805307 /nfs/dbraw/zinc/80/53/07/638805307.db2.gz RBUVNWBBBQCHMJ-YNEHKIRRSA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926738046 638805309 /nfs/dbraw/zinc/80/53/09/638805309.db2.gz RBUVNWBBBQCHMJ-YNEHKIRRSA-N 2 2 291.266 3.177 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785518 638951156 /nfs/dbraw/zinc/95/11/56/638951156.db2.gz AYCYCTUSXPDDFV-ZBEGNZNMSA-N 2 2 255.365 3.220 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785518 638951159 /nfs/dbraw/zinc/95/11/59/638951159.db2.gz AYCYCTUSXPDDFV-ZBEGNZNMSA-N 2 2 255.365 3.220 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c(C)[nH+]1 ZINC000930224986 638984487 /nfs/dbraw/zinc/98/44/87/638984487.db2.gz WGNJFKCFBIAIGY-SFHVURJKSA-N 2 2 299.418 3.284 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622017 639181570 /nfs/dbraw/zinc/18/15/70/639181570.db2.gz NFPHGCLXLKICRY-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622017 639181575 /nfs/dbraw/zinc/18/15/75/639181575.db2.gz NFPHGCLXLKICRY-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC2(CC2)CC1 ZINC000931622017 639181581 /nfs/dbraw/zinc/18/15/81/639181581.db2.gz NFPHGCLXLKICRY-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC2(CC2)CC1 ZINC000931622017 639181586 /nfs/dbraw/zinc/18/15/86/639181586.db2.gz NFPHGCLXLKICRY-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP Cc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC001155553118 805590706 /nfs/dbraw/zinc/59/07/06/805590706.db2.gz MYHYTEUBFVJGER-WBVHZDCISA-N 2 2 296.418 3.424 20 0 CGADLP CCC[C@H](CC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257271930 807085495 /nfs/dbraw/zinc/08/54/95/807085495.db2.gz VTAXTZCNNAGBFV-AWEZNQCLSA-N 2 2 261.413 3.219 20 0 CGADLP Clc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[NH2+]2)c1 ZINC001158627998 805978990 /nfs/dbraw/zinc/97/89/90/805978990.db2.gz VBFLRKYBYKXUBK-CYBMUJFWSA-N 2 2 275.783 3.442 20 0 CGADLP Cc1cc(NC(C)(C)CC[NH+](C)C)nc(C(C)(C)C)[nH+]1 ZINC001158760507 805998469 /nfs/dbraw/zinc/99/84/69/805998469.db2.gz ZMVSMLSSDJMCCW-UHFFFAOYSA-N 2 2 278.444 3.225 20 0 CGADLP CNc1ccc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159253900 806066478 /nfs/dbraw/zinc/06/64/78/806066478.db2.gz KHRKXBWKISLROF-HNNXBMFYSA-N 2 2 268.364 3.291 20 0 CGADLP CCCc1cc[nH+]c(Nc2cccc(OCC[NH3+])c2)c1 ZINC001159409383 806096143 /nfs/dbraw/zinc/09/61/43/806096143.db2.gz UKHVVPNZJAPJOF-UHFFFAOYSA-N 2 2 271.364 3.115 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001257358288 807121852 /nfs/dbraw/zinc/12/18/52/807121852.db2.gz ZFNWTGSLKWSIDX-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001257358288 807121855 /nfs/dbraw/zinc/12/18/55/807121855.db2.gz ZFNWTGSLKWSIDX-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP c1[nH]c2c(cccc2Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)[nH+]1 ZINC001159922021 806200437 /nfs/dbraw/zinc/20/04/37/806200437.db2.gz GOZUGOGRZWIBSA-AWEZNQCLSA-N 2 2 294.358 3.047 20 0 CGADLP Cc1c(F)cc[nH+]c1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160665462 806294498 /nfs/dbraw/zinc/29/44/98/806294498.db2.gz LGGXPWNTGKSKRF-CYBMUJFWSA-N 2 2 287.382 3.131 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCc2ccccc2CC1 ZINC001254463202 806411137 /nfs/dbraw/zinc/41/11/37/806411137.db2.gz OMFRQTLNXQPGER-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCc2ccccc2CC1 ZINC001254463202 806411139 /nfs/dbraw/zinc/41/11/39/806411139.db2.gz OMFRQTLNXQPGER-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517302 806436688 /nfs/dbraw/zinc/43/66/88/806436688.db2.gz UEPNCKKWXKJDQJ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517302 806436693 /nfs/dbraw/zinc/43/66/93/806436693.db2.gz UEPNCKKWXKJDQJ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517302 806436698 /nfs/dbraw/zinc/43/66/98/806436698.db2.gz UEPNCKKWXKJDQJ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517302 806436702 /nfs/dbraw/zinc/43/67/02/806436702.db2.gz UEPNCKKWXKJDQJ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527315 806442681 /nfs/dbraw/zinc/44/26/81/806442681.db2.gz WSCNWRIXLJSQCX-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527315 806442683 /nfs/dbraw/zinc/44/26/83/806442683.db2.gz WSCNWRIXLJSQCX-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527315 806442686 /nfs/dbraw/zinc/44/26/86/806442686.db2.gz WSCNWRIXLJSQCX-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527315 806442689 /nfs/dbraw/zinc/44/26/89/806442689.db2.gz WSCNWRIXLJSQCX-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831994 806491644 /nfs/dbraw/zinc/49/16/44/806491644.db2.gz ARJLQBVSGIPYKO-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254848408 806497261 /nfs/dbraw/zinc/49/72/61/806497261.db2.gz OYTQFGDISAGMOQ-GOSISDBHSA-N 2 2 284.447 3.448 20 0 CGADLP C[C@@]1([NH3+])C[C@H](Nc2[nH+]ccc3cc(Cl)ccc32)C1 ZINC001162328195 806554513 /nfs/dbraw/zinc/55/45/13/806554513.db2.gz KMQIEHLXXODXGW-VDISTLRHSA-N 2 2 261.756 3.180 20 0 CGADLP Cc1cccc2c(C)cc(N[C@H]3C[C@@](C)([NH3+])C3)[nH+]c12 ZINC001162325005 806555478 /nfs/dbraw/zinc/55/54/78/806555478.db2.gz LNAIOBWJFDVIJX-DRQUAOQDSA-N 2 2 255.365 3.143 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001162453857 806587090 /nfs/dbraw/zinc/58/70/90/806587090.db2.gz MDYWYZVVAFCFQA-QWHCGFSZSA-N 2 2 287.382 3.422 20 0 CGADLP CC(C)COc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc[nH+]1 ZINC001162469877 806592253 /nfs/dbraw/zinc/59/22/53/806592253.db2.gz DZCNVAXEQGYPLH-GJZGRUSLSA-N 2 2 291.439 3.164 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000037156752 798862959 /nfs/dbraw/zinc/86/29/59/798862959.db2.gz UJGIQAKOKDKIML-FZMZJTMJSA-N 2 2 292.452 3.414 20 0 CGADLP CCc1cc(N(CC)CCC[NH+](CC)CC)nc(CC)[nH+]1 ZINC001163076208 806701424 /nfs/dbraw/zinc/70/14/24/806701424.db2.gz KVHBCEYMUGIBJD-UHFFFAOYSA-N 2 2 292.471 3.160 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C[C@@H]1C ZINC000084987782 798941704 /nfs/dbraw/zinc/94/17/04/798941704.db2.gz NZMQNNAVGLHDOI-OWCLPIDISA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001255729702 806724755 /nfs/dbraw/zinc/72/47/55/806724755.db2.gz JKCPNUXXOJONEG-KBPBESRZSA-N 2 2 296.455 3.380 20 0 CGADLP CCCN(CC[NH+]1CCCCC1)c1cc(CC)[nH+]c(C)n1 ZINC001163277372 806735233 /nfs/dbraw/zinc/73/52/33/806735233.db2.gz HXPXNXXZGKWSPW-UHFFFAOYSA-N 2 2 290.455 3.050 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380008764 799356540 /nfs/dbraw/zinc/35/65/40/799356540.db2.gz FYTNLMPIFGWBMZ-PBHICJAKSA-N 2 2 283.375 3.216 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380008776 799357426 /nfs/dbraw/zinc/35/74/26/799357426.db2.gz FYTNLMPIFGWBMZ-YOEHRIQHSA-N 2 2 283.375 3.216 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000381056708 799371123 /nfs/dbraw/zinc/37/11/23/799371123.db2.gz LTVPPDIQSDRBOE-RQYBSSNQSA-N 2 2 288.460 3.056 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC(C(C)C)C(C)C ZINC000380998154 799371196 /nfs/dbraw/zinc/37/11/96/799371196.db2.gz KLZYWBUJOXTESJ-HNNXBMFYSA-N 2 2 256.478 3.481 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cscc1Cl ZINC000381348287 799377613 /nfs/dbraw/zinc/37/76/13/799377613.db2.gz ZSYQABSOUTWABB-UHFFFAOYSA-N 2 2 260.834 3.223 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)c[nH]c21 ZINC000381608147 799383563 /nfs/dbraw/zinc/38/35/63/799383563.db2.gz OONJSZIBWDSHTK-MLGOLLRUSA-N 2 2 271.408 3.042 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)c[nH]c21 ZINC000381608147 799383571 /nfs/dbraw/zinc/38/35/71/799383571.db2.gz OONJSZIBWDSHTK-MLGOLLRUSA-N 2 2 271.408 3.042 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382219835 799394603 /nfs/dbraw/zinc/39/46/03/799394603.db2.gz FCDNIPPYXOXEJW-FJBKBRRZSA-N 2 2 275.440 3.466 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000394061355 799493195 /nfs/dbraw/zinc/49/31/95/799493195.db2.gz YNOMCQBLPUTIQO-DJIMGWMZSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399054756 799534642 /nfs/dbraw/zinc/53/46/42/799534642.db2.gz WXKMCKLKTQISLH-COPLHBTASA-N 2 2 252.789 3.131 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)c[nH+]1 ZINC000403661010 799569610 /nfs/dbraw/zinc/56/96/10/799569610.db2.gz LBBPTXNVLJBUMM-ZXFUBFMLSA-N 2 2 299.443 3.389 20 0 CGADLP CSC1CC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000708321869 799984976 /nfs/dbraw/zinc/98/49/76/799984976.db2.gz WJSPQGYUFBHHJQ-YGONEPDPSA-N 2 2 287.432 3.417 20 0 CGADLP CC(C)(C)c1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC000709936259 800023315 /nfs/dbraw/zinc/02/33/15/800023315.db2.gz NTPVWXOWIPENOW-UHFFFAOYSA-N 2 2 272.436 3.170 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001255965379 806802998 /nfs/dbraw/zinc/80/29/98/806802998.db2.gz FOEXYKIXTHEGOL-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC001255965379 806803006 /nfs/dbraw/zinc/80/30/06/806803006.db2.gz FOEXYKIXTHEGOL-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP CC(C)C(C[NH2+]Cc1nc(C[NH+](C)C)cs1)C(C)C ZINC000722394631 800321755 /nfs/dbraw/zinc/32/17/55/800321755.db2.gz POGBXFQXIKBGHY-UHFFFAOYSA-N 2 2 283.485 3.223 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536303 806911492 /nfs/dbraw/zinc/91/14/92/806911492.db2.gz CSGNZZYFLQSMTC-DJIMGWMZSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536303 806911496 /nfs/dbraw/zinc/91/14/96/806911496.db2.gz CSGNZZYFLQSMTC-DJIMGWMZSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536303 806911499 /nfs/dbraw/zinc/91/14/99/806911499.db2.gz CSGNZZYFLQSMTC-DJIMGWMZSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536303 806911504 /nfs/dbraw/zinc/91/15/04/806911504.db2.gz CSGNZZYFLQSMTC-DJIMGWMZSA-N 2 2 276.399 3.083 20 0 CGADLP F[C@H]1CCCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604204 806923709 /nfs/dbraw/zinc/92/37/09/806923709.db2.gz MVZFKILWFQJUHP-KRWDZBQOSA-N 2 2 290.426 3.475 20 0 CGADLP F[C@H]1CCCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604204 806923716 /nfs/dbraw/zinc/92/37/16/806923716.db2.gz MVZFKILWFQJUHP-KRWDZBQOSA-N 2 2 290.426 3.475 20 0 CGADLP CC[NH+]1CCC(N(C)c2[nH+]ccc3c(C)cccc32)CC1 ZINC001165067846 806967751 /nfs/dbraw/zinc/96/77/51/806967751.db2.gz LAEAYLMNNNGOGY-UHFFFAOYSA-N 2 2 283.419 3.464 20 0 CGADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[NH+](C)C[C@H]4C3)[nH+]c2c1C ZINC001165154076 806973328 /nfs/dbraw/zinc/97/33/28/806973328.db2.gz ZCDLLZOHJFLNLE-HOTGVXAUSA-N 2 2 295.430 3.158 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001118495714 802576538 /nfs/dbraw/zinc/57/65/38/802576538.db2.gz AFTXVKSQAFXXOH-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001118495714 802576542 /nfs/dbraw/zinc/57/65/42/802576542.db2.gz AFTXVKSQAFXXOH-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)CCCC1 ZINC001208184996 813736307 /nfs/dbraw/zinc/73/63/07/813736307.db2.gz SMGGFJWYXQXRMR-CYBMUJFWSA-N 2 2 292.389 3.178 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCCC(F)(F)[C@H](F)C2)CCCC1 ZINC001208184996 813736309 /nfs/dbraw/zinc/73/63/09/813736309.db2.gz SMGGFJWYXQXRMR-CYBMUJFWSA-N 2 2 292.389 3.178 20 0 CGADLP CNc1cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)cc[nH+]1 ZINC001244973353 803598776 /nfs/dbraw/zinc/59/87/76/803598776.db2.gz NJXQCZOACCYELY-UHFFFAOYSA-N 2 2 293.414 3.358 20 0 CGADLP CNc1cc(-c2ccc(OC)c(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001244976109 803600204 /nfs/dbraw/zinc/60/02/04/803600204.db2.gz FWQXTGIVCQSUGZ-UHFFFAOYSA-N 2 2 297.402 3.395 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665835 /nfs/dbraw/zinc/66/58/35/803665835.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665837 /nfs/dbraw/zinc/66/58/37/803665837.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665840 /nfs/dbraw/zinc/66/58/40/803665840.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976178 803665842 /nfs/dbraw/zinc/66/58/42/803665842.db2.gz ZLYNQCODODYIQC-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP c1cc([C@H]2CCC[NH2+]2)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001245357087 803710529 /nfs/dbraw/zinc/71/05/29/803710529.db2.gz NRPBFDOZGQHCIS-QGZVFWFLSA-N 2 2 279.387 3.174 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137294029 803711732 /nfs/dbraw/zinc/71/17/32/803711732.db2.gz NEGDVGXLBMGIPU-STQMWFEESA-N 2 2 298.883 3.484 20 0 CGADLP COc1ccc(-c2c[nH+]c(N)c(C)c2)cc1C[NH+]1CCCC1 ZINC001245540930 803800194 /nfs/dbraw/zinc/80/01/94/803800194.db2.gz KGRSVQTXYRGJDP-UHFFFAOYSA-N 2 2 297.402 3.244 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1[nH]c2ccccc2c1C ZINC001138399743 803917697 /nfs/dbraw/zinc/91/76/97/803917697.db2.gz BIJNIEPLNWANBR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1[nH]c2ccccc2c1C ZINC001138399743 803917700 /nfs/dbraw/zinc/91/77/00/803917700.db2.gz BIJNIEPLNWANBR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001139001979 804107087 /nfs/dbraw/zinc/10/70/87/804107087.db2.gz OQCYQEGHIMZGKT-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001139001979 804107091 /nfs/dbraw/zinc/10/70/91/804107091.db2.gz OQCYQEGHIMZGKT-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246074178 804111802 /nfs/dbraw/zinc/11/18/02/804111802.db2.gz CAHVRSVOYPFIGK-SCZZXKLOSA-N 2 2 291.197 3.363 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246074509 804113575 /nfs/dbraw/zinc/11/35/75/804113575.db2.gz DXHBOPSCYBYHEV-DNVCBOLYSA-N 2 2 298.430 3.306 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246078575 804116262 /nfs/dbraw/zinc/11/62/62/804116262.db2.gz VXVMDUWMXOLZSI-MAUKXSAKSA-N 2 2 268.404 3.216 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001246079508 804117214 /nfs/dbraw/zinc/11/72/14/804117214.db2.gz ZQSBSHZODUWVRW-IRXDYDNUSA-N 2 2 286.806 3.097 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246094334 804127263 /nfs/dbraw/zinc/12/72/63/804127263.db2.gz DYZPXHMIGNCGNK-NXOAAHMSSA-N 2 2 276.399 3.002 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246100298 804133561 /nfs/dbraw/zinc/13/35/61/804133561.db2.gz SMBSCTOWGHFKMX-ZNMIVQPWSA-N 2 2 268.420 3.169 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1F ZINC001246109558 804141676 /nfs/dbraw/zinc/14/16/76/804141676.db2.gz YDHXWGINDKEARG-AXFHLTTASA-N 2 2 270.779 3.270 20 0 CGADLP CCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140881 804163138 /nfs/dbraw/zinc/16/31/38/804163138.db2.gz GZJVVZUXIGBGLZ-SJORKVTESA-N 3 2 295.515 3.199 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC001139358379 804183481 /nfs/dbraw/zinc/18/34/81/804183481.db2.gz QNUDBOJQQDYPLL-UHFFFAOYSA-N 2 2 277.318 3.102 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC001139358379 804183487 /nfs/dbraw/zinc/18/34/87/804183487.db2.gz QNUDBOJQQDYPLL-UHFFFAOYSA-N 2 2 277.318 3.102 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246224411 804219090 /nfs/dbraw/zinc/21/90/90/804219090.db2.gz GGTQBMHYMSGMAP-GXTWGEPZSA-N 2 2 282.378 3.221 20 0 CGADLP CC[C@@H]1CC([NH2+]Cc2cccc(F)c2F)C[C@@H](CC)[NH2+]1 ZINC001246226465 804220971 /nfs/dbraw/zinc/22/09/71/804220971.db2.gz QTPYZUXAZBUBBP-CHWSQXEVSA-N 2 2 282.378 3.364 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246267129 804245196 /nfs/dbraw/zinc/24/51/96/804245196.db2.gz MCIIBHVWRCVFHX-JTQLQIEISA-N 2 2 288.769 3.238 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246272094 804249466 /nfs/dbraw/zinc/24/94/66/804249466.db2.gz KZYDDVCEELZVPI-HOTGVXAUSA-N 2 2 264.388 3.255 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CCC2)C[NH2+]1 ZINC001246274981 804251363 /nfs/dbraw/zinc/25/13/63/804251363.db2.gz OELNYJYONADMOG-JLZZUVOBSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C[NH2+]1 ZINC001246318222 804278630 /nfs/dbraw/zinc/27/86/30/804278630.db2.gz PTFXHUGRLRFACV-XJKSGUPXSA-N 2 2 276.399 3.325 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324582 804282233 /nfs/dbraw/zinc/28/22/33/804282233.db2.gz FQYNTHFQVSKEKL-ABAIWWIYSA-N 2 2 298.833 3.388 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801949 804283862 /nfs/dbraw/zinc/28/38/62/804283862.db2.gz HJWLAMFDWXLTFX-GJZGRUSLSA-N 2 2 294.389 3.398 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC001246331294 804286608 /nfs/dbraw/zinc/28/66/08/804286608.db2.gz OCJDXYSJCKUVPC-LALPHHSUSA-N 2 2 282.428 3.036 20 0 CGADLP CCCCCC1CCC([NH2+][C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)CC1 ZINC001246393562 804319840 /nfs/dbraw/zinc/31/98/40/804319840.db2.gz ZVGGDJXFJDMGSS-GWDNYDDXSA-N 2 2 294.483 3.235 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC001246397012 804321830 /nfs/dbraw/zinc/32/18/30/804321830.db2.gz ALMRJKCMRLVQIK-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001140027074 804354910 /nfs/dbraw/zinc/35/49/10/804354910.db2.gz XLMJMXIVLVPXQB-IYBDPMFKSA-N 2 2 281.403 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001140027074 804354918 /nfs/dbraw/zinc/35/49/18/804354918.db2.gz XLMJMXIVLVPXQB-IYBDPMFKSA-N 2 2 281.403 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140026927 804355365 /nfs/dbraw/zinc/35/53/65/804355365.db2.gz QFEAFGHONKUMSP-GOEBONIOSA-N 2 2 267.376 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001140026927 804355372 /nfs/dbraw/zinc/35/53/72/804355372.db2.gz QFEAFGHONKUMSP-GOEBONIOSA-N 2 2 267.376 3.165 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1OC ZINC001140063635 804367661 /nfs/dbraw/zinc/36/76/61/804367661.db2.gz ZMKLDKZWJWOMKU-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1OC ZINC001140063635 804367668 /nfs/dbraw/zinc/36/76/68/804367668.db2.gz ZMKLDKZWJWOMKU-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[NH2+]1 ZINC001246523537 804379332 /nfs/dbraw/zinc/37/93/32/804379332.db2.gz NKNNRNSZOURRTI-GOEBONIOSA-N 2 2 276.399 3.269 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)n1 ZINC001140134540 804385125 /nfs/dbraw/zinc/38/51/25/804385125.db2.gz MTCUMZQELPSEER-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(F)n1 ZINC001140134540 804385131 /nfs/dbraw/zinc/38/51/31/804385131.db2.gz MTCUMZQELPSEER-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(F)n1 ZINC001140134540 804385139 /nfs/dbraw/zinc/38/51/39/804385139.db2.gz MTCUMZQELPSEER-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(F)n1 ZINC001140134540 804385148 /nfs/dbraw/zinc/38/51/48/804385148.db2.gz MTCUMZQELPSEER-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536527 804386472 /nfs/dbraw/zinc/38/64/72/804386472.db2.gz QGJCPSPGZWUHNZ-AYBZRNKSSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536527 804386478 /nfs/dbraw/zinc/38/64/78/804386478.db2.gz QGJCPSPGZWUHNZ-AYBZRNKSSA-N 2 2 295.430 3.034 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246542999 804390920 /nfs/dbraw/zinc/39/09/20/804390920.db2.gz QWBLUEXSHXHXIE-ZBFHGGJFSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246542999 804390930 /nfs/dbraw/zinc/39/09/30/804390930.db2.gz QWBLUEXSHXHXIE-ZBFHGGJFSA-N 2 2 278.465 3.289 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246559375 804408072 /nfs/dbraw/zinc/40/80/72/804408072.db2.gz AJRRUOXXIJFACM-GVDBMIGSSA-N 2 2 278.415 3.159 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246559375 804408074 /nfs/dbraw/zinc/40/80/74/804408074.db2.gz AJRRUOXXIJFACM-GVDBMIGSSA-N 2 2 278.415 3.159 20 0 CGADLP CCCCCC1CCC([N@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001246560226 804409811 /nfs/dbraw/zinc/40/98/11/804409811.db2.gz VBFFDOAIPNQFHQ-OFLPRAFFSA-N 2 2 282.472 3.046 20 0 CGADLP CCCCCC1CCC([N@@H+](C)C[C@H]2C[NH2+]CCO2)CC1 ZINC001246560226 804409815 /nfs/dbraw/zinc/40/98/15/804409815.db2.gz VBFFDOAIPNQFHQ-OFLPRAFFSA-N 2 2 282.472 3.046 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246598555 804437385 /nfs/dbraw/zinc/43/73/85/804437385.db2.gz AEDIHWFHRMNNLQ-YJBOKZPZSA-N 2 2 272.436 3.008 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246598555 804437389 /nfs/dbraw/zinc/43/73/89/804437389.db2.gz AEDIHWFHRMNNLQ-YJBOKZPZSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617388 804452001 /nfs/dbraw/zinc/45/20/01/804452001.db2.gz CDHVXBMMONTFQU-RDJZCZTQSA-N 2 2 284.447 3.107 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620351 804453746 /nfs/dbraw/zinc/45/37/46/804453746.db2.gz SBSKZQZULIPDOC-WBAXXEDZSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)CC[C@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620351 804453750 /nfs/dbraw/zinc/45/37/50/804453750.db2.gz SBSKZQZULIPDOC-WBAXXEDZSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C[NH2+]1 ZINC001246646650 804474336 /nfs/dbraw/zinc/47/43/36/804474336.db2.gz GNAXFSVHCMRMOP-RDJZCZTQSA-N 2 2 282.431 3.188 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649938 804476607 /nfs/dbraw/zinc/47/66/07/804476607.db2.gz RZODZQRIAQCXKV-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649938 804476613 /nfs/dbraw/zinc/47/66/13/804476613.db2.gz RZODZQRIAQCXKV-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001246684902 804495781 /nfs/dbraw/zinc/49/57/81/804495781.db2.gz YDVZZVPDMHHPQH-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001246684902 804495786 /nfs/dbraw/zinc/49/57/86/804495786.db2.gz YDVZZVPDMHHPQH-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP CC[N@H+](Cc1ccc(F)cc1C)C1CC[NH+](C)CC1 ZINC001140780055 804510509 /nfs/dbraw/zinc/51/05/09/804510509.db2.gz LDFUPPFSGMOJMJ-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(F)cc1C)C1CC[NH+](C)CC1 ZINC001140780055 804510514 /nfs/dbraw/zinc/51/05/14/804510514.db2.gz LDFUPPFSGMOJMJ-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246832084 804540591 /nfs/dbraw/zinc/54/05/91/804540591.db2.gz AJRRUOXXIJFACM-IXDOHACOSA-N 2 2 278.415 3.159 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246832084 804540596 /nfs/dbraw/zinc/54/05/96/804540596.db2.gz AJRRUOXXIJFACM-IXDOHACOSA-N 2 2 278.415 3.159 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837481 804546215 /nfs/dbraw/zinc/54/62/15/804546215.db2.gz UNBMTMKDKPAKPZ-HZPDHXFCSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837481 804546222 /nfs/dbraw/zinc/54/62/22/804546222.db2.gz UNBMTMKDKPAKPZ-HZPDHXFCSA-N 2 2 278.827 3.229 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246841139 804550850 /nfs/dbraw/zinc/55/08/50/804550850.db2.gz TXXZSEARYWBVQF-DOMZBBRYSA-N 2 2 266.816 3.302 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246841139 804550854 /nfs/dbraw/zinc/55/08/54/804550854.db2.gz TXXZSEARYWBVQF-DOMZBBRYSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246845185 804554740 /nfs/dbraw/zinc/55/47/40/804554740.db2.gz LIFWSPVHTRZSLU-YLFCFFPRSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246845185 804554745 /nfs/dbraw/zinc/55/47/45/804554745.db2.gz LIFWSPVHTRZSLU-YLFCFFPRSA-N 2 2 282.472 3.390 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccn2)s1 ZINC001140999074 804565508 /nfs/dbraw/zinc/56/55/08/804565508.db2.gz NLUZKBGVJKUEFQ-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccn2)s1 ZINC001140999074 804565509 /nfs/dbraw/zinc/56/55/09/804565509.db2.gz NLUZKBGVJKUEFQ-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC001246883471 804579369 /nfs/dbraw/zinc/57/93/69/804579369.db2.gz QRNBLFWFTCXJRX-KDOFPFPSSA-N 2 2 290.426 3.221 20 0 CGADLP CCOC1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246982276 804627681 /nfs/dbraw/zinc/62/76/81/804627681.db2.gz YNWLATFETNFCPT-ADKAHSJRSA-N 2 2 294.483 3.331 20 0 CGADLP CCOC1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246982276 804627684 /nfs/dbraw/zinc/62/76/84/804627684.db2.gz YNWLATFETNFCPT-ADKAHSJRSA-N 2 2 294.483 3.331 20 0 CGADLP C[N@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141846893 804672825 /nfs/dbraw/zinc/67/28/25/804672825.db2.gz PEJRFZFKDNEBSE-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP C[N@@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141846893 804672828 /nfs/dbraw/zinc/67/28/28/804672828.db2.gz PEJRFZFKDNEBSE-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP CC1(C)CCC2(CC[NH+](Cc3ccc4[nH+]ccn4c3)CC2)O1 ZINC001143034158 804799087 /nfs/dbraw/zinc/79/90/87/804799087.db2.gz XWHRVLJGGDETMW-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP COc1cc(C)cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001143159370 804812561 /nfs/dbraw/zinc/81/25/61/804812561.db2.gz BOOBJOLWBMZBSJ-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP COc1cc(C)cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001143159370 804812570 /nfs/dbraw/zinc/81/25/70/804812570.db2.gz BOOBJOLWBMZBSJ-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1C ZINC001143769690 804895229 /nfs/dbraw/zinc/89/52/29/804895229.db2.gz RTHVKGOUJJAXOR-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1C ZINC001143769690 804895236 /nfs/dbraw/zinc/89/52/36/804895236.db2.gz RTHVKGOUJJAXOR-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP Cc1cc(Nc2cccc3cc[nH+]cc32)c[nH+]c1N ZINC001249788965 805247263 /nfs/dbraw/zinc/24/72/63/805247263.db2.gz VBJNTPGXCCWDRP-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP Clc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(Cl)c1 ZINC001155053809 805529436 /nfs/dbraw/zinc/52/94/36/805529436.db2.gz SBDGATNYTZQZML-UHFFFAOYSA-N 2 2 297.189 3.041 20 0 CGADLP Fc1ccc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155057346 805529673 /nfs/dbraw/zinc/52/96/73/805529673.db2.gz DSWRUIZPZVZGTA-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP Cc1c[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc1C ZINC001155103240 805539508 /nfs/dbraw/zinc/53/95/08/805539508.db2.gz LDTPVYDVHRUOJB-SFHVURJKSA-N 2 2 293.414 3.118 20 0 CGADLP Cc1c[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc1C ZINC001155103240 805539511 /nfs/dbraw/zinc/53/95/11/805539511.db2.gz LDTPVYDVHRUOJB-SFHVURJKSA-N 2 2 293.414 3.118 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1 ZINC001257212143 807063494 /nfs/dbraw/zinc/06/34/94/807063494.db2.gz VMXCBXMJCKMZNQ-OAHLLOKOSA-N 2 2 294.826 3.236 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001257432184 807153456 /nfs/dbraw/zinc/15/34/56/807153456.db2.gz SQBNXVZIYOUDMV-AWEZNQCLSA-N 2 2 278.415 3.487 20 0 CGADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCSC1)CC2 ZINC001257670524 807211280 /nfs/dbraw/zinc/21/12/80/807211280.db2.gz AQFXRQNCLJLGNL-MRXNPFEDSA-N 2 2 294.508 3.222 20 0 CGADLP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@@H]1CCCSC1)CC2 ZINC001257670524 807211285 /nfs/dbraw/zinc/21/12/85/807211285.db2.gz AQFXRQNCLJLGNL-MRXNPFEDSA-N 2 2 294.508 3.222 20 0 CGADLP c1ccc(CC2CC[NH+](CC[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167892428 807268845 /nfs/dbraw/zinc/26/88/45/807268845.db2.gz WTSVEASZUNLADW-PMOLBWCYSA-N 2 2 298.474 3.329 20 0 CGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167910559 807272993 /nfs/dbraw/zinc/27/29/93/807272993.db2.gz UHNLJTHSGOTFHD-RDGPPVDQSA-N 2 2 284.447 3.082 20 0 CGADLP CN(C)c1cc[nH+]cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693403 815104949 /nfs/dbraw/zinc/10/49/49/815104949.db2.gz VBOZSTYWTQUWSC-UHFFFAOYSA-N 2 2 293.374 3.136 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167958244 807285479 /nfs/dbraw/zinc/28/54/79/807285479.db2.gz YUXJBKULLFDVMS-SCAQPMJSSA-N 2 2 267.376 3.103 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167958244 807285481 /nfs/dbraw/zinc/28/54/81/807285481.db2.gz YUXJBKULLFDVMS-SCAQPMJSSA-N 2 2 267.376 3.103 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258067262 807286228 /nfs/dbraw/zinc/28/62/28/807286228.db2.gz YZZUNQDBAOYSBD-KBPBESRZSA-N 2 2 251.418 3.013 20 0 CGADLP FC1(F)CC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167985505 807293105 /nfs/dbraw/zinc/29/31/05/807293105.db2.gz XBIUSFPWTQNZBF-YIONKMFJSA-N 2 2 296.405 3.123 20 0 CGADLP FC1(F)CC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167985505 807293109 /nfs/dbraw/zinc/29/31/09/807293109.db2.gz XBIUSFPWTQNZBF-YIONKMFJSA-N 2 2 296.405 3.123 20 0 CGADLP CC(C)=CCC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258088735 807300179 /nfs/dbraw/zinc/30/01/79/807300179.db2.gz OJOAHRHBXDTIPR-CYBMUJFWSA-N 2 2 261.413 3.187 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258098760 807308024 /nfs/dbraw/zinc/30/80/24/807308024.db2.gz CPRPIBNXGBMJFX-GOSISDBHSA-N 3 2 297.531 3.327 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171425 807337583 /nfs/dbraw/zinc/33/75/83/807337583.db2.gz YKRBUOUHTUKKTF-JZAWBGDQSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171425 807337590 /nfs/dbraw/zinc/33/75/90/807337590.db2.gz YKRBUOUHTUKKTF-JZAWBGDQSA-N 2 2 282.447 3.319 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387322 807399490 /nfs/dbraw/zinc/39/94/90/807399490.db2.gz CYUUYRRKDPTSIL-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387322 807399498 /nfs/dbraw/zinc/39/94/98/807399498.db2.gz CYUUYRRKDPTSIL-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP CC[N@H+]([C@H](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001168491813 807435036 /nfs/dbraw/zinc/43/50/36/807435036.db2.gz NQZFQUBMVZSZFM-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001168491813 807435037 /nfs/dbraw/zinc/43/50/37/807435037.db2.gz NQZFQUBMVZSZFM-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001168494851 807436325 /nfs/dbraw/zinc/43/63/25/807436325.db2.gz DNJMPCQDNOSXIC-AWEZNQCLSA-N 2 2 287.382 3.290 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NC2(CC)C[NH2+]C2)c1 ZINC001168586560 807451427 /nfs/dbraw/zinc/45/14/27/807451427.db2.gz JVLAPYIERXLCOD-UHFFFAOYSA-N 2 2 261.413 3.005 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258443910 807454870 /nfs/dbraw/zinc/45/48/70/807454870.db2.gz PMLIWCIAJLPLJS-IRXDYDNUSA-N 2 2 282.472 3.142 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258443910 807454872 /nfs/dbraw/zinc/45/48/72/807454872.db2.gz PMLIWCIAJLPLJS-IRXDYDNUSA-N 2 2 282.472 3.142 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[NH+](C)C ZINC001258671736 807537009 /nfs/dbraw/zinc/53/70/09/807537009.db2.gz CPPKXLRNXJBXOK-QWRGUYRKSA-N 2 2 289.250 3.464 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690759 807546760 /nfs/dbraw/zinc/54/67/60/807546760.db2.gz VAEZNYCYDCMHNC-SOUVJXGZSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690759 807546765 /nfs/dbraw/zinc/54/67/65/807546765.db2.gz VAEZNYCYDCMHNC-SOUVJXGZSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690758 807546782 /nfs/dbraw/zinc/54/67/82/807546782.db2.gz VAEZNYCYDCMHNC-QLFBSQMISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690758 807546784 /nfs/dbraw/zinc/54/67/84/807546784.db2.gz VAEZNYCYDCMHNC-QLFBSQMISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCOc2cc[nH+]cc2)CC(C)(C)C1 ZINC001258694977 807550962 /nfs/dbraw/zinc/55/09/62/807550962.db2.gz XPFLKLHQZWDHPS-KGLIPLIRSA-N 2 2 262.397 3.265 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001169145331 807590589 /nfs/dbraw/zinc/59/05/89/807590589.db2.gz MGBGFSPPVDZZPN-WCVJEAGWSA-N 2 2 280.431 3.216 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001169145331 807590592 /nfs/dbraw/zinc/59/05/92/807590592.db2.gz MGBGFSPPVDZZPN-WCVJEAGWSA-N 2 2 280.431 3.216 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258783670 807610680 /nfs/dbraw/zinc/61/06/80/807610680.db2.gz HGHZXYZWXPYKSW-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258783670 807610686 /nfs/dbraw/zinc/61/06/86/807610686.db2.gz HGHZXYZWXPYKSW-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1F ZINC001169233898 807611446 /nfs/dbraw/zinc/61/14/46/807611446.db2.gz XURYOGILUAPHJK-MRXNPFEDSA-N 2 2 282.378 3.490 20 0 CGADLP CC[NH+]1CCC([NH2+]CC[PH+](C(C)C)C(C)C)CC1 ZINC001169241858 807613185 /nfs/dbraw/zinc/61/31/85/807613185.db2.gz QGHRAGGFIUWJMQ-UHFFFAOYSA-N 3 2 272.417 3.359 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001258813660 807631549 /nfs/dbraw/zinc/63/15/49/807631549.db2.gz LEFCAIJCDYEKQR-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001258813660 807631552 /nfs/dbraw/zinc/63/15/52/807631552.db2.gz LEFCAIJCDYEKQR-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001258831101 807646778 /nfs/dbraw/zinc/64/67/78/807646778.db2.gz ZGFUWBMOOFQLJI-HOCLYGCPSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001258831101 807646781 /nfs/dbraw/zinc/64/67/81/807646781.db2.gz ZGFUWBMOOFQLJI-HOCLYGCPSA-N 2 2 252.446 3.370 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258893773 807667407 /nfs/dbraw/zinc/66/74/07/807667407.db2.gz NODWGAMBPBRRQW-OAHLLOKOSA-N 2 2 299.418 3.160 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258903842 807671008 /nfs/dbraw/zinc/67/10/08/807671008.db2.gz BZKZRMWCFIWSGX-IRXDYDNUSA-N 3 2 297.531 3.207 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258903842 807671012 /nfs/dbraw/zinc/67/10/12/807671012.db2.gz BZKZRMWCFIWSGX-IRXDYDNUSA-N 3 2 297.531 3.207 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1nc(C(C)(C)C)cs1 ZINC001262202442 807837000 /nfs/dbraw/zinc/83/70/00/807837000.db2.gz UNPFBTOVPRURRD-QJPTWQEYSA-N 2 2 293.480 3.361 20 0 CGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccccc1SC)C[NH+](C)C ZINC001262206855 807838519 /nfs/dbraw/zinc/83/85/19/807838519.db2.gz MWUVBNJVWKEMCA-KGLIPLIRSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724097 807886539 /nfs/dbraw/zinc/88/65/39/807886539.db2.gz CHYMYSHGQBXICO-LVQVYYBASA-N 2 2 264.457 3.131 20 0 CGADLP Cc1c[nH+]cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1C ZINC001171093549 807981389 /nfs/dbraw/zinc/98/13/89/807981389.db2.gz KSKMXCHWHZOJNT-AWEZNQCLSA-N 2 2 291.398 3.458 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@H]3C[C@H]32)CC1(C)C ZINC001171641117 808110889 /nfs/dbraw/zinc/11/08/89/808110889.db2.gz CYXYKNHPBFOGJY-GXTWGEPZSA-N 2 2 250.430 3.122 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]3C[C@H]32)CC1(C)C ZINC001171641117 808110893 /nfs/dbraw/zinc/11/08/93/808110893.db2.gz CYXYKNHPBFOGJY-GXTWGEPZSA-N 2 2 250.430 3.122 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC001171658733 808113775 /nfs/dbraw/zinc/11/37/75/808113775.db2.gz VBPFZMHUZQDDIE-IRXDYDNUSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1[nH+]c2c(n1[C@H](C)CCc1ccc(C)cc1)CC[NH2+]CC2 ZINC001171672504 808120199 /nfs/dbraw/zinc/12/01/99/808120199.db2.gz XSZSRASFZDNMES-OAHLLOKOSA-N 2 2 297.446 3.382 20 0 CGADLP C[C@@H]1CC[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H]1C ZINC001172372989 808266902 /nfs/dbraw/zinc/26/69/02/808266902.db2.gz IMRHVXRXWCGZCX-SQNIBIBYSA-N 3 2 297.531 3.017 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844472 808458265 /nfs/dbraw/zinc/45/82/65/808458265.db2.gz INEDREDADPKDNG-STQMWFEESA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844472 808458268 /nfs/dbraw/zinc/45/82/68/808458268.db2.gz INEDREDADPKDNG-STQMWFEESA-N 2 2 298.833 3.482 20 0 CGADLP CO[C@@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948013 808492846 /nfs/dbraw/zinc/49/28/46/808492846.db2.gz BFZFDVQSXXXFDR-ZWKOTPCHSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948013 808492849 /nfs/dbraw/zinc/49/28/49/808492849.db2.gz BFZFDVQSXXXFDR-ZWKOTPCHSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948007 808493194 /nfs/dbraw/zinc/49/31/94/808493194.db2.gz BFZFDVQSXXXFDR-ROUUACIJSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948007 808493199 /nfs/dbraw/zinc/49/31/99/808493199.db2.gz BFZFDVQSXXXFDR-ROUUACIJSA-N 2 2 294.483 3.283 20 0 CGADLP CCCOC1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001173100514 808508905 /nfs/dbraw/zinc/50/89/05/808508905.db2.gz LWYJVWGNYZOKAT-UHFFFAOYSA-N 2 2 291.439 3.258 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001173265020 808569573 /nfs/dbraw/zinc/56/95/73/808569573.db2.gz YAHMRNJBAILJEY-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280562 808582600 /nfs/dbraw/zinc/58/26/00/808582600.db2.gz UUIHXODSWMLABZ-DFEOGRTESA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173537784 808644449 /nfs/dbraw/zinc/64/44/49/808644449.db2.gz CIENBDITUITWIQ-BZHVJNSISA-N 2 2 273.207 3.004 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687628 808665205 /nfs/dbraw/zinc/66/52/05/808665205.db2.gz PSEIZJQCSNIITI-LSJNQWAISA-N 2 2 286.463 3.353 20 0 CGADLP Cc1cccc2c1[nH+]c(N)n2-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085278 815229181 /nfs/dbraw/zinc/22/91/81/815229181.db2.gz BENDJMBGBIZRMK-UHFFFAOYSA-N 2 2 289.342 3.306 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC001175069733 809259154 /nfs/dbraw/zinc/25/91/54/809259154.db2.gz HHKWHTJUMUAVQB-PIIMJCKOSA-N 2 2 286.463 3.366 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC001175069733 809259159 /nfs/dbraw/zinc/25/91/59/809259159.db2.gz HHKWHTJUMUAVQB-PIIMJCKOSA-N 2 2 286.463 3.366 20 0 CGADLP Cc1cc(Nc2c[nH+]c(C)cc2C)n(-c2cc[nH+]cc2)n1 ZINC001213511142 815294632 /nfs/dbraw/zinc/29/46/32/815294632.db2.gz YROPFLYJCRYCQP-UHFFFAOYSA-N 2 2 279.347 3.331 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882946 809563790 /nfs/dbraw/zinc/56/37/90/809563790.db2.gz MLUVGPAUSOMZRZ-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882946 809563794 /nfs/dbraw/zinc/56/37/94/809563794.db2.gz MLUVGPAUSOMZRZ-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001175882946 809563798 /nfs/dbraw/zinc/56/37/98/809563798.db2.gz MLUVGPAUSOMZRZ-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC(C)(C)CC1 ZINC001175882946 809563800 /nfs/dbraw/zinc/56/38/00/809563800.db2.gz MLUVGPAUSOMZRZ-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884125 809563957 /nfs/dbraw/zinc/56/39/57/809563957.db2.gz ZHWUJMRJTBUVGR-OIISXLGYSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884125 809563959 /nfs/dbraw/zinc/56/39/59/809563959.db2.gz ZHWUJMRJTBUVGR-OIISXLGYSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)C1CCCCC1 ZINC001175884125 809563963 /nfs/dbraw/zinc/56/39/63/809563963.db2.gz ZHWUJMRJTBUVGR-OIISXLGYSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)C1CCCCC1 ZINC001175884125 809563966 /nfs/dbraw/zinc/56/39/66/809563966.db2.gz ZHWUJMRJTBUVGR-OIISXLGYSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176748901 809756232 /nfs/dbraw/zinc/75/62/32/809756232.db2.gz IDRCTQOHKLYCGP-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001177061936 809777462 /nfs/dbraw/zinc/77/74/62/809777462.db2.gz XJMIMBNXQAUQAW-KRWDZBQOSA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001177061936 809777465 /nfs/dbraw/zinc/77/74/65/809777465.db2.gz XJMIMBNXQAUQAW-KRWDZBQOSA-N 2 2 296.499 3.149 20 0 CGADLP Cc1cccc(F)c1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001177928239 809831631 /nfs/dbraw/zinc/83/16/31/809831631.db2.gz DXEJSORVHRFPRV-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001179044309 809901769 /nfs/dbraw/zinc/90/17/69/809901769.db2.gz AMRUYKJEDNSYCO-MSOLQXFVSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001179044309 809901774 /nfs/dbraw/zinc/90/17/74/809901774.db2.gz AMRUYKJEDNSYCO-MSOLQXFVSA-N 2 2 272.436 3.410 20 0 CGADLP C1=CC[C@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001179168834 809907712 /nfs/dbraw/zinc/90/77/12/809907712.db2.gz KMLPORWURKEMHH-DOTOQJQBSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001179168834 809907717 /nfs/dbraw/zinc/90/77/17/809907717.db2.gz KMLPORWURKEMHH-DOTOQJQBSA-N 2 2 262.441 3.339 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1(C)C ZINC001182310051 810104042 /nfs/dbraw/zinc/10/40/42/810104042.db2.gz SZTIEHALXDFBNQ-CABCVRRESA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1(C)C ZINC001182310051 810104046 /nfs/dbraw/zinc/10/40/46/810104046.db2.gz SZTIEHALXDFBNQ-CABCVRRESA-N 2 2 282.472 3.043 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC001183045384 810135547 /nfs/dbraw/zinc/13/55/47/810135547.db2.gz JAFYYHSJKFIFIH-FHWLQOOXSA-N 2 2 286.463 3.472 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC001183045384 810135549 /nfs/dbraw/zinc/13/55/49/810135549.db2.gz JAFYYHSJKFIFIH-FHWLQOOXSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001183379635 810147428 /nfs/dbraw/zinc/14/74/28/810147428.db2.gz PVQPLBSPSOLZRY-SZMVWBNQSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001183379635 810147432 /nfs/dbraw/zinc/14/74/32/810147432.db2.gz PVQPLBSPSOLZRY-SZMVWBNQSA-N 2 2 296.499 3.434 20 0 CGADLP COCCCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790221 811543422 /nfs/dbraw/zinc/54/34/22/811543422.db2.gz DMWXAYHGUHVXJL-OAHLLOKOSA-N 2 2 293.455 3.244 20 0 CGADLP COCCCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790221 811543431 /nfs/dbraw/zinc/54/34/31/811543431.db2.gz DMWXAYHGUHVXJL-OAHLLOKOSA-N 2 2 293.455 3.244 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC001200291529 811670376 /nfs/dbraw/zinc/67/03/76/811670376.db2.gz DHKCTIZZOCNNRA-CVEARBPZSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC001200291529 811670381 /nfs/dbraw/zinc/67/03/81/811670381.db2.gz DHKCTIZZOCNNRA-CVEARBPZSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201539912 811891731 /nfs/dbraw/zinc/89/17/31/811891731.db2.gz XYWJRWYVFZTNAS-AWEZNQCLSA-N 2 2 262.397 3.361 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(C)[nH+]1 ZINC001203236333 812275409 /nfs/dbraw/zinc/27/54/09/812275409.db2.gz JFEYRHYMIAUEIY-UHFFFAOYSA-N 2 2 283.366 3.292 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001203739075 812446097 /nfs/dbraw/zinc/44/60/97/812446097.db2.gz FFQYERVXSNHUJL-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001203739075 812446102 /nfs/dbraw/zinc/44/61/02/812446102.db2.gz FFQYERVXSNHUJL-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC001204285005 812598674 /nfs/dbraw/zinc/59/86/74/812598674.db2.gz GXCUUDCXCIFUQO-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC001204285005 812598677 /nfs/dbraw/zinc/59/86/77/812598677.db2.gz GXCUUDCXCIFUQO-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)C1CC[NH+](C)CC1 ZINC001204354875 812619098 /nfs/dbraw/zinc/61/90/98/812619098.db2.gz PSMPUUPHDUKVKU-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)C1CC[NH+](C)CC1 ZINC001204354875 812619101 /nfs/dbraw/zinc/61/91/01/812619101.db2.gz PSMPUUPHDUKVKU-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204772672 812732332 /nfs/dbraw/zinc/73/23/32/812732332.db2.gz XRUKFYFEZYRHQL-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204772672 812732337 /nfs/dbraw/zinc/73/23/37/812732337.db2.gz XRUKFYFEZYRHQL-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001204800864 812740914 /nfs/dbraw/zinc/74/09/14/812740914.db2.gz HREZSWBMSUZPCY-CQSZACIVSA-N 2 2 278.446 3.400 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001204800864 812740919 /nfs/dbraw/zinc/74/09/19/812740919.db2.gz HREZSWBMSUZPCY-CQSZACIVSA-N 2 2 278.446 3.400 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204877648 812762396 /nfs/dbraw/zinc/76/23/96/812762396.db2.gz LUCBSZFAXDZPAI-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204877648 812762400 /nfs/dbraw/zinc/76/24/00/812762400.db2.gz LUCBSZFAXDZPAI-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC12CC2 ZINC001204903671 812768893 /nfs/dbraw/zinc/76/88/93/812768893.db2.gz ATKZXWBORRNRCF-LJQANCHMSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC12CC2 ZINC001204903671 812768896 /nfs/dbraw/zinc/76/88/96/812768896.db2.gz ATKZXWBORRNRCF-LJQANCHMSA-N 2 2 290.410 3.181 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001204933479 812783249 /nfs/dbraw/zinc/78/32/49/812783249.db2.gz UFQKLCPXYHPTJY-KRWDZBQOSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001204933479 812783257 /nfs/dbraw/zinc/78/32/57/812783257.db2.gz UFQKLCPXYHPTJY-KRWDZBQOSA-N 2 2 290.451 3.404 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)ccc2c1 ZINC001204939801 812788482 /nfs/dbraw/zinc/78/84/82/812788482.db2.gz UBCUBRWHUNKCCW-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@@](C)([NH3+])C3)ccc2c1 ZINC001204939801 812788490 /nfs/dbraw/zinc/78/84/90/812788490.db2.gz UBCUBRWHUNKCCW-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cc(Nc2ccn3cc[nH+]c3c2)c2ccccc2[nH+]1 ZINC001204944405 812790657 /nfs/dbraw/zinc/79/06/57/812790657.db2.gz ZXNLUMVLAPTRPQ-UHFFFAOYSA-N 2 2 274.327 3.356 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205087902 812855044 /nfs/dbraw/zinc/85/50/44/812855044.db2.gz KXMJMNUCYZRGLI-JSGCOSHPSA-N 2 2 264.438 3.029 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205087902 812855053 /nfs/dbraw/zinc/85/50/53/812855053.db2.gz KXMJMNUCYZRGLI-JSGCOSHPSA-N 2 2 264.438 3.029 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(F)c1)C1CC[NH+](C)CC1 ZINC001205227424 812912887 /nfs/dbraw/zinc/91/28/87/812912887.db2.gz GNLQFKHCIZYRSE-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(F)c1)C1CC[NH+](C)CC1 ZINC001205227424 812912893 /nfs/dbraw/zinc/91/28/93/812912893.db2.gz GNLQFKHCIZYRSE-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001205282257 812930310 /nfs/dbraw/zinc/93/03/10/812930310.db2.gz PQMMLMDKVWOXIV-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001205282257 812930315 /nfs/dbraw/zinc/93/03/15/812930315.db2.gz PQMMLMDKVWOXIV-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(F)cc1Cl ZINC001205297084 812937446 /nfs/dbraw/zinc/93/74/46/812937446.db2.gz YRRSVHDPKZYTGH-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(F)cc1Cl ZINC001205297084 812937450 /nfs/dbraw/zinc/93/74/50/812937450.db2.gz YRRSVHDPKZYTGH-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296348 812938043 /nfs/dbraw/zinc/93/80/43/812938043.db2.gz NEKRRXWOGLUXCR-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205296348 812938047 /nfs/dbraw/zinc/93/80/47/812938047.db2.gz NEKRRXWOGLUXCR-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205324463 812955100 /nfs/dbraw/zinc/95/51/00/812955100.db2.gz BSHHPVRNGSAROD-OAHLLOKOSA-N 2 2 298.430 3.422 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205324463 812955102 /nfs/dbraw/zinc/95/51/02/812955102.db2.gz BSHHPVRNGSAROD-OAHLLOKOSA-N 2 2 298.430 3.422 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205326494 812956408 /nfs/dbraw/zinc/95/64/08/812956408.db2.gz ZUNCXDWWMKYNIU-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205326494 812956411 /nfs/dbraw/zinc/95/64/11/812956411.db2.gz ZUNCXDWWMKYNIU-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205325186 812956828 /nfs/dbraw/zinc/95/68/28/812956828.db2.gz LFZKMNJVHWCMNA-LLVKDONJSA-N 2 2 277.799 3.005 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205325186 812956832 /nfs/dbraw/zinc/95/68/32/812956832.db2.gz LFZKMNJVHWCMNA-LLVKDONJSA-N 2 2 277.799 3.005 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1OC ZINC001205541956 812997947 /nfs/dbraw/zinc/99/79/47/812997947.db2.gz VDRDPOQYMSPVRI-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@H]1OC ZINC001205541956 812997951 /nfs/dbraw/zinc/99/79/51/812997951.db2.gz VDRDPOQYMSPVRI-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814526 813092895 /nfs/dbraw/zinc/09/28/95/813092895.db2.gz CLSJFEVLGCTKCK-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814526 813092901 /nfs/dbraw/zinc/09/29/01/813092901.db2.gz CLSJFEVLGCTKCK-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205817011 813095531 /nfs/dbraw/zinc/09/55/31/813095531.db2.gz PNNXMPDENJUBNJ-XJKSGUPXSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205817011 813095533 /nfs/dbraw/zinc/09/55/33/813095533.db2.gz PNNXMPDENJUBNJ-XJKSGUPXSA-N 2 2 271.408 3.036 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827965 813098399 /nfs/dbraw/zinc/09/83/99/813098399.db2.gz IJFHJSJBFSYGQO-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827965 813098408 /nfs/dbraw/zinc/09/84/08/813098408.db2.gz IJFHJSJBFSYGQO-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851697 813108683 /nfs/dbraw/zinc/10/86/83/813108683.db2.gz AQDITRZKEYTCNP-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851697 813108692 /nfs/dbraw/zinc/10/86/92/813108692.db2.gz AQDITRZKEYTCNP-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856210 813110073 /nfs/dbraw/zinc/11/00/73/813110073.db2.gz TUYQZVNLSIGYEB-RHSMWYFYSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856210 813110078 /nfs/dbraw/zinc/11/00/78/813110078.db2.gz TUYQZVNLSIGYEB-RHSMWYFYSA-N 2 2 290.451 3.341 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856571 813110406 /nfs/dbraw/zinc/11/04/06/813110406.db2.gz WWWZHTPCHCYEOB-RHSMWYFYSA-N 2 2 260.425 3.369 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856571 813110407 /nfs/dbraw/zinc/11/04/07/813110407.db2.gz WWWZHTPCHCYEOB-RHSMWYFYSA-N 2 2 260.425 3.369 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902691 813125284 /nfs/dbraw/zinc/12/52/84/813125284.db2.gz KXTBHHFVTUDCJN-NWDGAFQWSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902691 813125287 /nfs/dbraw/zinc/12/52/87/813125287.db2.gz KXTBHHFVTUDCJN-NWDGAFQWSA-N 2 2 291.826 3.381 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001205922824 813134232 /nfs/dbraw/zinc/13/42/32/813134232.db2.gz BEVYXQJPQPVQNT-AWEZNQCLSA-N 2 2 266.816 3.086 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205922824 813134235 /nfs/dbraw/zinc/13/42/35/813134235.db2.gz BEVYXQJPQPVQNT-AWEZNQCLSA-N 2 2 266.816 3.086 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3c(F)cccc23)C[C@H]1[NH3+] ZINC001206048924 813180357 /nfs/dbraw/zinc/18/03/57/813180357.db2.gz AXEVJZURUCHOAY-SJKOYZFVSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@H]1[NH3+] ZINC001206048924 813180362 /nfs/dbraw/zinc/18/03/62/813180362.db2.gz AXEVJZURUCHOAY-SJKOYZFVSA-N 2 2 272.367 3.148 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343837 813296522 /nfs/dbraw/zinc/29/65/22/813296522.db2.gz JHSAODSGJYPQAU-KRWDZBQOSA-N 2 2 289.398 3.129 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343837 813296527 /nfs/dbraw/zinc/29/65/27/813296527.db2.gz JHSAODSGJYPQAU-KRWDZBQOSA-N 2 2 289.398 3.129 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206369396 813306001 /nfs/dbraw/zinc/30/60/01/813306001.db2.gz DDXLRLDYXICILI-INIZCTEOSA-N 2 2 294.345 3.225 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206369396 813306009 /nfs/dbraw/zinc/30/60/09/813306009.db2.gz DDXLRLDYXICILI-INIZCTEOSA-N 2 2 294.345 3.225 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3ocnc3c2)C1 ZINC001242598023 823053620 /nfs/dbraw/zinc/05/36/20/823053620.db2.gz IYZSFFLHJXZNHU-OAHLLOKOSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ocnc3c2)C1 ZINC001242598023 823053628 /nfs/dbraw/zinc/05/36/28/823053628.db2.gz IYZSFFLHJXZNHU-OAHLLOKOSA-N 2 2 293.370 3.028 20 0 CGADLP C1SCC12CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC001206477514 813330727 /nfs/dbraw/zinc/33/07/27/813330727.db2.gz NNEMUEQEDAUIMA-HZPDHXFCSA-N 2 2 294.508 3.269 20 0 CGADLP C1SCC12CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC001206477514 813330733 /nfs/dbraw/zinc/33/07/33/813330733.db2.gz NNEMUEQEDAUIMA-HZPDHXFCSA-N 2 2 294.508 3.269 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)n1C ZINC001206792156 813438935 /nfs/dbraw/zinc/43/89/35/813438935.db2.gz GVGMFXHVSGMVQO-UHFFFAOYSA-N 2 2 293.414 3.289 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812598 813445142 /nfs/dbraw/zinc/44/51/42/813445142.db2.gz ZUHSLHXOWUOKTQ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812598 813445147 /nfs/dbraw/zinc/44/51/47/813445147.db2.gz ZUHSLHXOWUOKTQ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccnc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001206852440 813451093 /nfs/dbraw/zinc/45/10/93/813451093.db2.gz AMBKQCBPXPJRHB-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1ccnc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001206852440 813451099 /nfs/dbraw/zinc/45/10/99/813451099.db2.gz AMBKQCBPXPJRHB-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP CC[N@H+](CCCc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001207568481 813596159 /nfs/dbraw/zinc/59/61/59/813596159.db2.gz NIAWDLPCXNSGAW-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP CC[N@@H+](CCCc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001207568481 813596173 /nfs/dbraw/zinc/59/61/73/813596173.db2.gz NIAWDLPCXNSGAW-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763720 813646763 /nfs/dbraw/zinc/64/67/63/813646763.db2.gz SZRWZCAOGCRSOW-OAHLLOKOSA-N 2 2 292.442 3.468 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763720 813646769 /nfs/dbraw/zinc/64/67/69/813646769.db2.gz SZRWZCAOGCRSOW-OAHLLOKOSA-N 2 2 292.442 3.468 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCc3c(F)cccc3C2)CCCC1 ZINC001208188357 813738050 /nfs/dbraw/zinc/73/80/50/813738050.db2.gz YPFYYKFFMNNDQG-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCc3c(F)cccc3C2)CCCC1 ZINC001208188357 813738054 /nfs/dbraw/zinc/73/80/54/813738054.db2.gz YPFYYKFFMNNDQG-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942673 813908155 /nfs/dbraw/zinc/90/81/55/813908155.db2.gz QUKJGPREHIERLL-BPQIPLTHSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942673 813908160 /nfs/dbraw/zinc/90/81/60/813908160.db2.gz QUKJGPREHIERLL-BPQIPLTHSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942673 813908165 /nfs/dbraw/zinc/90/81/65/813908165.db2.gz QUKJGPREHIERLL-BPQIPLTHSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942673 813908172 /nfs/dbraw/zinc/90/81/72/813908172.db2.gz QUKJGPREHIERLL-BPQIPLTHSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425215 814025854 /nfs/dbraw/zinc/02/58/54/814025854.db2.gz DMIMDSXMRYOJFE-GOEBONIOSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425215 814025855 /nfs/dbraw/zinc/02/58/55/814025855.db2.gz DMIMDSXMRYOJFE-GOEBONIOSA-N 2 2 290.426 3.378 20 0 CGADLP c1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CCS2 ZINC001209452269 814047078 /nfs/dbraw/zinc/04/70/78/814047078.db2.gz JDRONRYMDYIJEM-UHFFFAOYSA-N 2 2 290.476 3.470 20 0 CGADLP c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CCS2 ZINC001209452269 814047084 /nfs/dbraw/zinc/04/70/84/814047084.db2.gz JDRONRYMDYIJEM-UHFFFAOYSA-N 2 2 290.476 3.470 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c[nH]c21 ZINC001209494262 814063008 /nfs/dbraw/zinc/06/30/08/814063008.db2.gz OLLNWWOBDROLLG-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c[nH]c21 ZINC001209494262 814063016 /nfs/dbraw/zinc/06/30/16/814063016.db2.gz OLLNWWOBDROLLG-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c21 ZINC001209494262 814063019 /nfs/dbraw/zinc/06/30/19/814063019.db2.gz OLLNWWOBDROLLG-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c21 ZINC001209494262 814063028 /nfs/dbraw/zinc/06/30/28/814063028.db2.gz OLLNWWOBDROLLG-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209730018 814122732 /nfs/dbraw/zinc/12/27/32/814122732.db2.gz CZWMKONWVMPBBW-LLVKDONJSA-N 2 2 275.783 3.341 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209730018 814122736 /nfs/dbraw/zinc/12/27/36/814122736.db2.gz CZWMKONWVMPBBW-LLVKDONJSA-N 2 2 275.783 3.341 20 0 CGADLP Cc1cc(N)[nH+]cc1Nc1ccc2c[nH+]ccc2c1 ZINC001209965992 814218997 /nfs/dbraw/zinc/21/89/97/814218997.db2.gz MRAGRDGZBUEBQE-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP Cc1cc(Nc2cc[nH+]c3c2CCC3)ccc1[NH+](C)C ZINC001210039947 814258627 /nfs/dbraw/zinc/25/86/27/814258627.db2.gz IIGJFGLIIFIVLI-UHFFFAOYSA-N 2 2 267.376 3.110 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210475805 814479001 /nfs/dbraw/zinc/47/90/01/814479001.db2.gz PEGITQSRYDZQCY-MRXNPFEDSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210475805 814479003 /nfs/dbraw/zinc/47/90/03/814479003.db2.gz PEGITQSRYDZQCY-MRXNPFEDSA-N 2 2 290.451 3.439 20 0 CGADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210715204 814594856 /nfs/dbraw/zinc/59/48/56/814594856.db2.gz SWDAQRNSZXBODV-OAHLLOKOSA-N 2 2 296.418 3.416 20 0 CGADLP COc1cc(Nc2ccc3c(c2)C[N@@H+](C)CC3)cc(C)[nH+]1 ZINC001210785081 814628734 /nfs/dbraw/zinc/62/87/34/814628734.db2.gz ZHACOLVJOOQOMH-UHFFFAOYSA-N 2 2 283.375 3.130 20 0 CGADLP COc1cc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc(C)[nH+]1 ZINC001210785081 814628739 /nfs/dbraw/zinc/62/87/39/814628739.db2.gz ZHACOLVJOOQOMH-UHFFFAOYSA-N 2 2 283.375 3.130 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001211129870 814756591 /nfs/dbraw/zinc/75/65/91/814756591.db2.gz WCNNTEVIDCZKGI-UHFFFAOYSA-N 2 2 282.391 3.145 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc3[nH+]c(C)cn32)c1F ZINC001216219040 815740899 /nfs/dbraw/zinc/74/08/99/815740899.db2.gz MXLVAAMCISXIBL-UHFFFAOYSA-N 2 2 284.338 3.245 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192475 816371569 /nfs/dbraw/zinc/37/15/69/816371569.db2.gz WBLMYVYMYGKIDA-HYVNUMGLSA-N 2 2 290.838 3.271 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192475 816371573 /nfs/dbraw/zinc/37/15/73/816371573.db2.gz WBLMYVYMYGKIDA-HYVNUMGLSA-N 2 2 290.838 3.271 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243841 816384827 /nfs/dbraw/zinc/38/48/27/816384827.db2.gz PISVEWURCVGTFS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243841 816384835 /nfs/dbraw/zinc/38/48/35/816384835.db2.gz PISVEWURCVGTFS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265756 816391656 /nfs/dbraw/zinc/39/16/56/816391656.db2.gz XKMSGPGUXYMYRZ-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265756 816391664 /nfs/dbraw/zinc/39/16/64/816391664.db2.gz XKMSGPGUXYMYRZ-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2[nH]1 ZINC001222385614 816426054 /nfs/dbraw/zinc/42/60/54/816426054.db2.gz RQKRXUVSXMETNJ-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP c1cc2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2[nH]1 ZINC001222385614 816426058 /nfs/dbraw/zinc/42/60/58/816426058.db2.gz RQKRXUVSXMETNJ-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385558 816426130 /nfs/dbraw/zinc/42/61/30/816426130.db2.gz QEKLUSZFPLNWAN-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385558 816426134 /nfs/dbraw/zinc/42/61/34/816426134.db2.gz QEKLUSZFPLNWAN-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)NCCC2 ZINC001222396624 816432053 /nfs/dbraw/zinc/43/20/53/816432053.db2.gz ULJKGWQFMZMSGB-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)NCCC2 ZINC001222396624 816432059 /nfs/dbraw/zinc/43/20/59/816432059.db2.gz ULJKGWQFMZMSGB-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222464673 816449613 /nfs/dbraw/zinc/44/96/13/816449613.db2.gz BECHRAVQOLNIAJ-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222464673 816449619 /nfs/dbraw/zinc/44/96/19/816449619.db2.gz BECHRAVQOLNIAJ-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc3[nH+]c(C)cn3c2)cc1 ZINC001242993002 823201381 /nfs/dbraw/zinc/20/13/81/823201381.db2.gz WAKLVWXUZCSYTQ-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(CC)cn2)CC1 ZINC001231645993 818145216 /nfs/dbraw/zinc/14/52/16/818145216.db2.gz CYKMPVBUYBWJED-UHFFFAOYSA-N 2 2 289.467 3.340 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC)cn2)CC1 ZINC001231645993 818145218 /nfs/dbraw/zinc/14/52/18/818145218.db2.gz CYKMPVBUYBWJED-UHFFFAOYSA-N 2 2 289.467 3.340 20 0 CGADLP Cc1cccc(C[N@H+](C)CCC[NH+](C)C)c1OC(C)C ZINC001232389836 818334307 /nfs/dbraw/zinc/33/43/07/818334307.db2.gz KHCYMNATUBOXJP-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP Cc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1OC(C)C ZINC001232389836 818334311 /nfs/dbraw/zinc/33/43/11/818334311.db2.gz KHCYMNATUBOXJP-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CCc4ccccc43)CC2)c[nH+]1 ZINC001232460015 818355275 /nfs/dbraw/zinc/35/52/75/818355275.db2.gz LPABEINTRGYUTO-UHFFFAOYSA-N 2 2 281.403 3.198 20 0 CGADLP c1cc(C2CC2)ccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001232987397 818493477 /nfs/dbraw/zinc/49/34/77/818493477.db2.gz VRTCXADRAMGAGE-UHFFFAOYSA-N 2 2 270.420 3.234 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)[nH+]1 ZINC001233363170 818597626 /nfs/dbraw/zinc/59/76/26/818597626.db2.gz LASXHLMVKFFPDC-CABCVRRESA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H]3CCCC[C@H]3C2)[nH+]1 ZINC001233363170 818597632 /nfs/dbraw/zinc/59/76/32/818597632.db2.gz LASXHLMVKFFPDC-CABCVRRESA-N 2 2 269.392 3.346 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235008286 818979313 /nfs/dbraw/zinc/97/93/13/818979313.db2.gz QRNITRMNYYAVAF-UHFFFAOYSA-N 2 2 296.414 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235008286 818979321 /nfs/dbraw/zinc/97/93/21/818979321.db2.gz QRNITRMNYYAVAF-UHFFFAOYSA-N 2 2 296.414 3.162 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)s2)c1 ZINC001235026683 818983140 /nfs/dbraw/zinc/98/31/40/818983140.db2.gz PVJSCFIPGBBTCX-WCQYABFASA-N 2 2 290.457 3.270 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)s2)c1 ZINC001235026683 818983147 /nfs/dbraw/zinc/98/31/47/818983147.db2.gz PVJSCFIPGBBTCX-WCQYABFASA-N 2 2 290.457 3.270 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235066688 818994930 /nfs/dbraw/zinc/99/49/30/818994930.db2.gz UNXLFFLPIFVUHG-GOSISDBHSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235066688 818994935 /nfs/dbraw/zinc/99/49/35/818994935.db2.gz UNXLFFLPIFVUHG-GOSISDBHSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111604 819007603 /nfs/dbraw/zinc/00/76/03/819007603.db2.gz RROJAVUZDPYFPZ-OAHLLOKOSA-N 2 2 298.352 3.342 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111604 819007608 /nfs/dbraw/zinc/00/76/08/819007608.db2.gz RROJAVUZDPYFPZ-OAHLLOKOSA-N 2 2 298.352 3.342 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235118849 819010814 /nfs/dbraw/zinc/01/08/14/819010814.db2.gz HLSRJAXKPXCFBY-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235118849 819010821 /nfs/dbraw/zinc/01/08/21/819010821.db2.gz HLSRJAXKPXCFBY-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235236232 819043411 /nfs/dbraw/zinc/04/34/11/819043411.db2.gz VTIBLAHPQYGTCT-ZMYBRWDISA-N 2 2 280.415 3.380 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235236232 819043415 /nfs/dbraw/zinc/04/34/15/819043415.db2.gz VTIBLAHPQYGTCT-ZMYBRWDISA-N 2 2 280.415 3.380 20 0 CGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235254362 819050656 /nfs/dbraw/zinc/05/06/56/819050656.db2.gz BKUZKEWDEHCSRR-HKUYNNGSSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235254362 819050663 /nfs/dbraw/zinc/05/06/63/819050663.db2.gz BKUZKEWDEHCSRR-HKUYNNGSSA-N 2 2 296.389 3.286 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1Cl ZINC001235262178 819054938 /nfs/dbraw/zinc/05/49/38/819054938.db2.gz KEGLLESGTNIKKO-GJZGRUSLSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1Cl ZINC001235262178 819054945 /nfs/dbraw/zinc/05/49/45/819054945.db2.gz KEGLLESGTNIKKO-GJZGRUSLSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235714231 819148197 /nfs/dbraw/zinc/14/81/97/819148197.db2.gz UWVNKJZGLYHKTA-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235714231 819148201 /nfs/dbraw/zinc/14/82/01/819148201.db2.gz UWVNKJZGLYHKTA-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP CC[NH2+]C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001235726567 819155595 /nfs/dbraw/zinc/15/55/95/819155595.db2.gz TWGXFIZTQNZUJP-UHFFFAOYSA-N 2 2 280.843 3.347 20 0 CGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC001235841292 819183858 /nfs/dbraw/zinc/18/38/58/819183858.db2.gz DCYMXZKTCXFUKN-LLVKDONJSA-N 2 2 287.234 3.343 20 0 CGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC001235841292 819183862 /nfs/dbraw/zinc/18/38/62/819183862.db2.gz DCYMXZKTCXFUKN-LLVKDONJSA-N 2 2 287.234 3.343 20 0 CGADLP CC(C)Oc1c(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc(F)c1F ZINC001235925923 819224368 /nfs/dbraw/zinc/22/43/68/819224368.db2.gz RZODAWFSKMWAMH-ZDUSSCGKSA-N 2 2 298.377 3.065 20 0 CGADLP CC(C)Oc1c(C[N@H+]2CCC[C@H]2CC[NH3+])ccc(F)c1F ZINC001235925923 819224375 /nfs/dbraw/zinc/22/43/75/819224375.db2.gz RZODAWFSKMWAMH-ZDUSSCGKSA-N 2 2 298.377 3.065 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001235939698 819233747 /nfs/dbraw/zinc/23/37/47/819233747.db2.gz HBIPAZQUKQBEIB-MRXNPFEDSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001235939698 819233753 /nfs/dbraw/zinc/23/37/53/819233753.db2.gz HBIPAZQUKQBEIB-MRXNPFEDSA-N 2 2 278.827 3.230 20 0 CGADLP CC[N@H+](Cc1sc2ccccc2c1C)[C@@H]1CC[NH2+]C1 ZINC001235969842 819254266 /nfs/dbraw/zinc/25/42/66/819254266.db2.gz GWRFPANLJPYSIO-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP CC[N@@H+](Cc1sc2ccccc2c1C)[C@@H]1CC[NH2+]C1 ZINC001235969842 819254272 /nfs/dbraw/zinc/25/42/72/819254272.db2.gz GWRFPANLJPYSIO-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1C(C)C ZINC001235984950 819258445 /nfs/dbraw/zinc/25/84/45/819258445.db2.gz ANHJUOVNJLOJCY-YJBOKZPZSA-N 2 2 288.435 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1C(C)C ZINC001235984950 819258449 /nfs/dbraw/zinc/25/84/49/819258449.db2.gz ANHJUOVNJLOJCY-YJBOKZPZSA-N 2 2 288.435 3.050 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994324 819264160 /nfs/dbraw/zinc/26/41/60/819264160.db2.gz OBHPARPTQOPBHS-SJLPKXTDSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994324 819264163 /nfs/dbraw/zinc/26/41/63/819264163.db2.gz OBHPARPTQOPBHS-SJLPKXTDSA-N 2 2 288.435 3.014 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236067144 819298675 /nfs/dbraw/zinc/29/86/75/819298675.db2.gz MRWUAKSIVRXPLF-NSHDSACASA-N 2 2 287.234 3.077 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236067144 819298684 /nfs/dbraw/zinc/29/86/84/819298684.db2.gz MRWUAKSIVRXPLF-NSHDSACASA-N 2 2 287.234 3.077 20 0 CGADLP c1ccc(SC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236089592 819309361 /nfs/dbraw/zinc/30/93/61/819309361.db2.gz CKIAOYYRIWSFMU-HNNXBMFYSA-N 2 2 290.476 3.385 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(COc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236094220 819311831 /nfs/dbraw/zinc/31/18/31/819311831.db2.gz UMQUVFQQLOJXOA-BEFAXECRSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236094220 819311836 /nfs/dbraw/zinc/31/18/36/819311836.db2.gz UMQUVFQQLOJXOA-BEFAXECRSA-N 2 2 296.414 3.045 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001236144807 819344843 /nfs/dbraw/zinc/34/48/43/819344843.db2.gz VRTGSHUGOLUYBP-UHFFFAOYSA-N 2 2 268.360 3.367 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001236144807 819344849 /nfs/dbraw/zinc/34/48/49/819344849.db2.gz VRTGSHUGOLUYBP-UHFFFAOYSA-N 2 2 268.360 3.367 20 0 CGADLP C[N@H+](Cc1cc(O)cc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236208284 819369804 /nfs/dbraw/zinc/36/98/04/819369804.db2.gz UUQKYTDWKBZVCE-SFHVURJKSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236208284 819369808 /nfs/dbraw/zinc/36/98/08/819369808.db2.gz UUQKYTDWKBZVCE-SFHVURJKSA-N 2 2 284.403 3.119 20 0 CGADLP CSc1cc(C)cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209746 819372423 /nfs/dbraw/zinc/37/24/23/819372423.db2.gz NRJSJTGEJREPCC-INIZCTEOSA-N 2 2 278.465 3.291 20 0 CGADLP CSc1cc(C)cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209746 819372429 /nfs/dbraw/zinc/37/24/29/819372429.db2.gz NRJSJTGEJREPCC-INIZCTEOSA-N 2 2 278.465 3.291 20 0 CGADLP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220471 819388392 /nfs/dbraw/zinc/38/83/92/819388392.db2.gz ZIUUODACMOSSKA-GJZGRUSLSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220471 819388399 /nfs/dbraw/zinc/38/83/99/819388399.db2.gz ZIUUODACMOSSKA-GJZGRUSLSA-N 2 2 263.429 3.014 20 0 CGADLP Fc1cccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235455 819396166 /nfs/dbraw/zinc/39/61/66/819396166.db2.gz CHQSNMIDYHDFHU-CQSZACIVSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1cccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235455 819396174 /nfs/dbraw/zinc/39/61/74/819396174.db2.gz CHQSNMIDYHDFHU-CQSZACIVSA-N 2 2 287.382 3.023 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001236238084 819398985 /nfs/dbraw/zinc/39/89/85/819398985.db2.gz YTMWLKIZOFKIER-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1C ZINC001236238084 819398990 /nfs/dbraw/zinc/39/89/90/819398990.db2.gz YTMWLKIZOFKIER-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP CCC[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236323306 819425847 /nfs/dbraw/zinc/42/58/47/819425847.db2.gz DITGJMJXSNUQAZ-CYBMUJFWSA-N 2 2 276.355 3.146 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236323306 819425849 /nfs/dbraw/zinc/42/58/49/819425849.db2.gz DITGJMJXSNUQAZ-CYBMUJFWSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@@H+](Cc1scc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409162 819456779 /nfs/dbraw/zinc/45/67/79/819456779.db2.gz SJCKLQHFCVXSHE-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP CC[N@H+](Cc1scc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409162 819456782 /nfs/dbraw/zinc/45/67/82/819456782.db2.gz SJCKLQHFCVXSHE-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411022 819458150 /nfs/dbraw/zinc/45/81/50/819458150.db2.gz DYUCZTYJNZYVPF-DZFIZOCASA-N 2 2 294.398 3.129 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411022 819458154 /nfs/dbraw/zinc/45/81/54/819458154.db2.gz DYUCZTYJNZYVPF-DZFIZOCASA-N 2 2 294.398 3.129 20 0 CGADLP C[NH+](C)Cc1cccc(-c2cccc3[nH+]ccn32)c1 ZINC001236419266 819465593 /nfs/dbraw/zinc/46/55/93/819465593.db2.gz NDFWPDNWKFGSAU-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236419153 819466317 /nfs/dbraw/zinc/46/63/17/819466317.db2.gz KYTJXDTUOKOAEM-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001236419153 819466321 /nfs/dbraw/zinc/46/63/21/819466321.db2.gz KYTJXDTUOKOAEM-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421370 819468041 /nfs/dbraw/zinc/46/80/41/819468041.db2.gz QHHFWVSNURYUIZ-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421370 819468039 /nfs/dbraw/zinc/46/80/39/819468039.db2.gz QHHFWVSNURYUIZ-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421887 819469669 /nfs/dbraw/zinc/46/96/69/819469669.db2.gz WVAIPYDAXKOBGP-LRDDRELGSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421887 819469673 /nfs/dbraw/zinc/46/96/73/819469673.db2.gz WVAIPYDAXKOBGP-LRDDRELGSA-N 2 2 287.382 3.132 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001236435023 819478418 /nfs/dbraw/zinc/47/84/18/819478418.db2.gz PYRUVKIVITZSMZ-INIZCTEOSA-N 2 2 290.407 3.288 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001236435023 819478420 /nfs/dbraw/zinc/47/84/20/819478420.db2.gz PYRUVKIVITZSMZ-INIZCTEOSA-N 2 2 290.407 3.288 20 0 CGADLP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cs1 ZINC001236478678 819494843 /nfs/dbraw/zinc/49/48/43/819494843.db2.gz LCSYYOPVSAAKRC-OAHLLOKOSA-N 2 2 266.454 3.267 20 0 CGADLP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cs1 ZINC001236478678 819494846 /nfs/dbraw/zinc/49/48/46/819494846.db2.gz LCSYYOPVSAAKRC-OAHLLOKOSA-N 2 2 266.454 3.267 20 0 CGADLP CC(C)C[N@H+](Cc1cc(Cl)ccc1N)[C@@H]1CCC[NH2+]C1 ZINC001236477336 819495591 /nfs/dbraw/zinc/49/55/91/819495591.db2.gz BEHDOYRKUZYWHD-OAHLLOKOSA-N 2 2 295.858 3.132 20 0 CGADLP CC(C)C[N@@H+](Cc1cc(Cl)ccc1N)[C@@H]1CCC[NH2+]C1 ZINC001236477336 819495596 /nfs/dbraw/zinc/49/55/96/819495596.db2.gz BEHDOYRKUZYWHD-OAHLLOKOSA-N 2 2 295.858 3.132 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565636 819538110 /nfs/dbraw/zinc/53/81/10/819538110.db2.gz KHWSAJNWDCFUHB-BQFCYCMXSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565636 819538113 /nfs/dbraw/zinc/53/81/13/819538113.db2.gz KHWSAJNWDCFUHB-BQFCYCMXSA-N 3 2 293.499 3.033 20 0 CGADLP c1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cs1 ZINC001236648941 819559683 /nfs/dbraw/zinc/55/96/83/819559683.db2.gz ULTMHXSIEXRVPK-OAHLLOKOSA-N 2 2 264.438 3.245 20 0 CGADLP c1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cs1 ZINC001236648941 819559688 /nfs/dbraw/zinc/55/96/88/819559688.db2.gz ULTMHXSIEXRVPK-OAHLLOKOSA-N 2 2 264.438 3.245 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684636 819570924 /nfs/dbraw/zinc/57/09/24/819570924.db2.gz TXNHQNIDTYCZMN-HOCLYGCPSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684636 819570927 /nfs/dbraw/zinc/57/09/27/819570927.db2.gz TXNHQNIDTYCZMN-HOCLYGCPSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684636 819570931 /nfs/dbraw/zinc/57/09/31/819570931.db2.gz TXNHQNIDTYCZMN-HOCLYGCPSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684636 819570934 /nfs/dbraw/zinc/57/09/34/819570934.db2.gz TXNHQNIDTYCZMN-HOCLYGCPSA-N 2 2 286.444 3.427 20 0 CGADLP CCC[N@@H+](Cc1cc(F)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836546 819616962 /nfs/dbraw/zinc/61/69/62/819616962.db2.gz XEOPHFHCWDFKAQ-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1cc(F)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836546 819616964 /nfs/dbraw/zinc/61/69/64/819616964.db2.gz XEOPHFHCWDFKAQ-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)sc2ccccc21 ZINC001236868402 819628150 /nfs/dbraw/zinc/62/81/50/819628150.db2.gz BRDGRJRYDLJTNW-LBPRGKRZSA-N 2 2 262.422 3.379 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)sc2ccccc21 ZINC001236868402 819628156 /nfs/dbraw/zinc/62/81/56/819628156.db2.gz BRDGRJRYDLJTNW-LBPRGKRZSA-N 2 2 262.422 3.379 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(C)c1C ZINC001236885098 819630480 /nfs/dbraw/zinc/63/04/80/819630480.db2.gz YIUCCSTZNGISPC-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(C)c1C ZINC001236885098 819630484 /nfs/dbraw/zinc/63/04/84/819630484.db2.gz YIUCCSTZNGISPC-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236908376 819637037 /nfs/dbraw/zinc/63/70/37/819637037.db2.gz HGIZZJMPRHNQIB-LBPRGKRZSA-N 2 2 289.810 3.181 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236908376 819637042 /nfs/dbraw/zinc/63/70/42/819637042.db2.gz HGIZZJMPRHNQIB-LBPRGKRZSA-N 2 2 289.810 3.181 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001236950304 819638575 /nfs/dbraw/zinc/63/85/75/819638575.db2.gz LVMZPNGPCNRPBQ-LBPRGKRZSA-N 2 2 274.433 3.428 20 0 CGADLP Cc1ccsc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237143290 819676968 /nfs/dbraw/zinc/67/69/68/819676968.db2.gz CVTNJGOXJWRDNB-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccsc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237143290 819676970 /nfs/dbraw/zinc/67/69/70/819676970.db2.gz CVTNJGOXJWRDNB-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)sc1C ZINC001237154421 819681571 /nfs/dbraw/zinc/68/15/71/819681571.db2.gz BCDQZUHJFCIDSR-OAHLLOKOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)sc1C ZINC001237154421 819681577 /nfs/dbraw/zinc/68/15/77/819681577.db2.gz BCDQZUHJFCIDSR-OAHLLOKOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cs1 ZINC001237162485 819685681 /nfs/dbraw/zinc/68/56/81/819685681.db2.gz VPMFMBPGMHWDOY-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cs1 ZINC001237162485 819685686 /nfs/dbraw/zinc/68/56/86/819685686.db2.gz VPMFMBPGMHWDOY-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP CC(C)(C)C[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237360387 819735390 /nfs/dbraw/zinc/73/53/90/819735390.db2.gz XVVHZSAFWHSNDE-UHFFFAOYSA-N 2 2 258.409 3.127 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3C)C[C@@H]2C1 ZINC001238222079 819962876 /nfs/dbraw/zinc/96/28/76/819962876.db2.gz HWRVDBAWQHQBGN-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3C)C[C@@H]2C1 ZINC001238222079 819962880 /nfs/dbraw/zinc/96/28/80/819962880.db2.gz HWRVDBAWQHQBGN-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3C)C[C@@H]2C1 ZINC001238222079 819962884 /nfs/dbraw/zinc/96/28/84/819962884.db2.gz HWRVDBAWQHQBGN-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(C)c3C)C[C@@H]2C1 ZINC001238222079 819962887 /nfs/dbraw/zinc/96/28/87/819962887.db2.gz HWRVDBAWQHQBGN-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cncc(OC(C)C)c1 ZINC001238465548 820009688 /nfs/dbraw/zinc/00/96/88/820009688.db2.gz PRJPWNFXIMQLHN-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc(OC(C)C)c1 ZINC001238465548 820009699 /nfs/dbraw/zinc/00/96/99/820009699.db2.gz PRJPWNFXIMQLHN-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(C4CC4)nc3)cc2)C1 ZINC001238855707 820136367 /nfs/dbraw/zinc/13/63/67/820136367.db2.gz DOKWZAUJOOZDJM-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(C4CC4)nc3)cc2)C1 ZINC001238855707 820136368 /nfs/dbraw/zinc/13/63/68/820136368.db2.gz DOKWZAUJOOZDJM-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP Cc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239488959 820340522 /nfs/dbraw/zinc/34/05/22/820340522.db2.gz HPOIDFPSRIIRBW-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239488959 820340533 /nfs/dbraw/zinc/34/05/33/820340533.db2.gz HPOIDFPSRIIRBW-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP CCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239588266 820436720 /nfs/dbraw/zinc/43/67/20/820436720.db2.gz BONYLIBMJIZYOM-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239588266 820436725 /nfs/dbraw/zinc/43/67/25/820436725.db2.gz BONYLIBMJIZYOM-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001239682523 820519172 /nfs/dbraw/zinc/51/91/72/820519172.db2.gz MXBRHKIGJSDTHH-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP COc1ccc(-c2ccc3[nH+]ccn3c2)c(C[NH+](C)C)c1 ZINC001240221241 820898573 /nfs/dbraw/zinc/89/85/73/820898573.db2.gz JQQPEDHTZYXDSD-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP Cc1ccc(-c2ccc3[nH+]ccn3c2)c(C[NH+](C)C)c1 ZINC001240222110 820900709 /nfs/dbraw/zinc/90/07/09/820900709.db2.gz YICZIFIIUQHSEI-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1ccc(F)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240922991 821418420 /nfs/dbraw/zinc/41/84/20/821418420.db2.gz QGKXKUCRTCWFMY-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240922991 821418425 /nfs/dbraw/zinc/41/84/25/821418425.db2.gz QGKXKUCRTCWFMY-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C ZINC001241036626 821513274 /nfs/dbraw/zinc/51/32/74/821513274.db2.gz CWINCFFGECBINZ-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C ZINC001241036626 821513280 /nfs/dbraw/zinc/51/32/80/821513280.db2.gz CWINCFFGECBINZ-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CC[NH+](CC)Cc1ccc(C)c(-c2cc[nH+]c(N)c2)c1 ZINC001241175848 821618718 /nfs/dbraw/zinc/61/87/18/821618718.db2.gz OGJJCFIMTJJQAH-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1cncc(C[NH+]2CCCC2)c1 ZINC001241250025 821670949 /nfs/dbraw/zinc/67/09/49/821670949.db2.gz DCQYEFMXFUBMTD-UHFFFAOYSA-N 2 2 296.418 3.114 20 0 CGADLP Cc1cc[nH+]c(C)c1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242150643 822895358 /nfs/dbraw/zinc/89/53/58/822895358.db2.gz NKKIDJGPWPQGIN-UHFFFAOYSA-N 2 2 270.376 3.306 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001242238263 822921844 /nfs/dbraw/zinc/92/18/44/822921844.db2.gz JDRAICFLYISWLS-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1F ZINC001242238263 822921847 /nfs/dbraw/zinc/92/18/47/822921847.db2.gz JDRAICFLYISWLS-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001345470047 936811682 /nfs/dbraw/zinc/81/16/82/936811682.db2.gz NVOATGDGEGGYFQ-STQMWFEESA-N 2 2 270.779 3.229 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(CC)n1 ZINC001458135111 937452629 /nfs/dbraw/zinc/45/26/29/937452629.db2.gz FLSJQBPGRBMDGC-HNNXBMFYSA-N 2 2 290.455 3.414 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(CC)n1 ZINC001458135111 937452632 /nfs/dbraw/zinc/45/26/32/937452632.db2.gz FLSJQBPGRBMDGC-HNNXBMFYSA-N 2 2 290.455 3.414 20 0 CGADLP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001458676997 937471241 /nfs/dbraw/zinc/47/12/41/937471241.db2.gz DRDOLVQKTQVCRB-AWEZNQCLSA-N 2 2 276.428 3.051 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001462459980 937642858 /nfs/dbraw/zinc/64/28/58/937642858.db2.gz VCBPDAUILJHBRT-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001462459980 937642861 /nfs/dbraw/zinc/64/28/61/937642861.db2.gz VCBPDAUILJHBRT-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(CC)CC2)C1 ZINC001462460065 937643093 /nfs/dbraw/zinc/64/30/93/937643093.db2.gz WEMBGBSCYKXAQY-HWOWSKLDSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(CC)CC2)C1 ZINC001462460065 937643095 /nfs/dbraw/zinc/64/30/95/937643095.db2.gz WEMBGBSCYKXAQY-HWOWSKLDSA-N 2 2 252.446 3.419 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001462487880 937644754 /nfs/dbraw/zinc/64/47/54/937644754.db2.gz WAOYXZIXHJIBAR-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001462487880 937644755 /nfs/dbraw/zinc/64/47/55/937644755.db2.gz WAOYXZIXHJIBAR-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308032688 933037505 /nfs/dbraw/zinc/03/75/05/933037505.db2.gz HLXKCGJDAAZGME-SFHVURJKSA-N 2 2 292.386 3.118 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC001462592577 937652603 /nfs/dbraw/zinc/65/26/03/937652603.db2.gz MWCLCFXJRPGIIE-YOEHRIQHSA-N 2 2 274.452 3.209 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC001462592577 937652605 /nfs/dbraw/zinc/65/26/05/937652605.db2.gz MWCLCFXJRPGIIE-YOEHRIQHSA-N 2 2 274.452 3.209 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC001308243896 933080037 /nfs/dbraw/zinc/08/00/37/933080037.db2.gz GCEHKLCKFUZJKT-JKSUJKDBSA-N 2 2 291.439 3.067 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc[nH]1 ZINC001308359329 933101535 /nfs/dbraw/zinc/10/15/35/933101535.db2.gz XYRQIDZYZOYYPX-CYBMUJFWSA-N 2 2 266.348 3.051 20 0 CGADLP C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308361244 933101937 /nfs/dbraw/zinc/10/19/37/933101937.db2.gz ZEXBVPHIJUABFR-ZDUSSCGKSA-N 2 2 266.348 3.051 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001308397029 933104864 /nfs/dbraw/zinc/10/48/64/933104864.db2.gz WAPGCRRGFCKNIB-HRCADAONSA-N 2 2 296.499 3.290 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001308397029 933104865 /nfs/dbraw/zinc/10/48/65/933104865.db2.gz WAPGCRRGFCKNIB-HRCADAONSA-N 2 2 296.499 3.290 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1CCC2 ZINC001308450963 933112389 /nfs/dbraw/zinc/11/23/89/933112389.db2.gz LUQWQKGAVTWPLK-RBUKOAKNSA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1CCC2 ZINC001308450963 933112391 /nfs/dbraw/zinc/11/23/91/933112391.db2.gz LUQWQKGAVTWPLK-RBUKOAKNSA-N 2 2 284.447 3.282 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC001308544880 933128384 /nfs/dbraw/zinc/12/83/84/933128384.db2.gz XBKUZAYEWVZLEM-ZRUQZJFASA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC001308544880 933128389 /nfs/dbraw/zinc/12/83/89/933128389.db2.gz XBKUZAYEWVZLEM-ZRUQZJFASA-N 2 2 280.362 3.052 20 0 CGADLP CCNc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001308601592 933140406 /nfs/dbraw/zinc/14/04/06/933140406.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC001308601592 933140409 /nfs/dbraw/zinc/14/04/09/933140409.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001308601592 933140412 /nfs/dbraw/zinc/14/04/12/933140412.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001308601592 933140415 /nfs/dbraw/zinc/14/04/15/933140415.db2.gz UYGZHDJCNVBWFO-GOEBONIOSA-N 2 2 275.440 3.033 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308815790 933183287 /nfs/dbraw/zinc/18/32/87/933183287.db2.gz PXOPYMJJIAGWMC-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308815790 933183290 /nfs/dbraw/zinc/18/32/90/933183290.db2.gz PXOPYMJJIAGWMC-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001308974782 933217956 /nfs/dbraw/zinc/21/79/56/933217956.db2.gz KXPHBDVMSSZROX-SJORKVTESA-N 2 2 272.436 3.112 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001308974782 933217960 /nfs/dbraw/zinc/21/79/60/933217960.db2.gz KXPHBDVMSSZROX-SJORKVTESA-N 2 2 272.436 3.112 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccn2C2CC2)C1 ZINC001327945251 935100227 /nfs/dbraw/zinc/10/02/27/935100227.db2.gz JITOLUHKPLGSSD-OAHLLOKOSA-N 2 2 298.434 3.011 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001327945251 935100228 /nfs/dbraw/zinc/10/02/28/935100228.db2.gz JITOLUHKPLGSSD-OAHLLOKOSA-N 2 2 298.434 3.011 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530195 935293010 /nfs/dbraw/zinc/29/30/10/935293010.db2.gz WEWYUQSARCYTSH-BEFAXECRSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530195 935293015 /nfs/dbraw/zinc/29/30/15/935293015.db2.gz WEWYUQSARCYTSH-BEFAXECRSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530195 935293020 /nfs/dbraw/zinc/29/30/20/935293020.db2.gz WEWYUQSARCYTSH-BEFAXECRSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530195 935293023 /nfs/dbraw/zinc/29/30/23/935293023.db2.gz WEWYUQSARCYTSH-BEFAXECRSA-N 2 2 299.462 3.272 20 0 CGADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc2cccnc12 ZINC001473952756 937831883 /nfs/dbraw/zinc/83/18/83/937831883.db2.gz PNLAMKUZIKTZDI-UHFFFAOYSA-N 2 2 294.402 3.310 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001549224090 938001382 /nfs/dbraw/zinc/00/13/82/938001382.db2.gz WJDIRVUULSJGNC-FPCVCCKLSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001549224090 938001383 /nfs/dbraw/zinc/00/13/83/938001383.db2.gz WJDIRVUULSJGNC-FPCVCCKLSA-N 2 2 273.424 3.036 20 0 CGADLP COc1c(C)c[nH+]c(CNc2cc[nH+]cc2C2CC2)c1C ZINC001515426816 938006214 /nfs/dbraw/zinc/00/62/14/938006214.db2.gz LPZBVEWHKAMQSE-UHFFFAOYSA-N 2 2 283.375 3.013 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001550711045 938170394 /nfs/dbraw/zinc/17/03/94/938170394.db2.gz SJDUVFNMNSXMER-PVAVHDDUSA-N 2 2 299.393 3.295 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001550711045 938170395 /nfs/dbraw/zinc/17/03/95/938170395.db2.gz SJDUVFNMNSXMER-PVAVHDDUSA-N 2 2 299.393 3.295 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1 ZINC001551378090 938180643 /nfs/dbraw/zinc/18/06/43/938180643.db2.gz MAQNTLBZPHMHAM-KSZLIROESA-N 2 2 266.388 3.352 20 0 CGADLP Cc1ccc(CC(C)(C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001559921440 938239071 /nfs/dbraw/zinc/23/90/71/938239071.db2.gz LFRWEWPGVKDESL-UHFFFAOYSA-N 2 2 274.452 3.392 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001560246102 938249009 /nfs/dbraw/zinc/24/90/09/938249009.db2.gz HSLLHVNGGFOCRZ-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001560246102 938249011 /nfs/dbraw/zinc/24/90/11/938249011.db2.gz HSLLHVNGGFOCRZ-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001560245478 938249032 /nfs/dbraw/zinc/24/90/32/938249032.db2.gz BQIXLORHWSGQRX-IRXDYDNUSA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001560245478 938249033 /nfs/dbraw/zinc/24/90/33/938249033.db2.gz BQIXLORHWSGQRX-IRXDYDNUSA-N 2 2 296.499 3.149 20 0 CGADLP Fc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1Cl ZINC001560365124 938255561 /nfs/dbraw/zinc/25/55/61/938255561.db2.gz MAJSGMRDOYAUDA-UHFFFAOYSA-N 2 2 293.773 3.466 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001560611470 938265332 /nfs/dbraw/zinc/26/53/32/938265332.db2.gz ZESGMQRIVKXGQV-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001560611470 938265334 /nfs/dbraw/zinc/26/53/34/938265334.db2.gz ZESGMQRIVKXGQV-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001560717372 938272141 /nfs/dbraw/zinc/27/21/41/938272141.db2.gz KEVOBLGPALUWNC-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001560717372 938272143 /nfs/dbraw/zinc/27/21/43/938272143.db2.gz KEVOBLGPALUWNC-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001560806140 938276644 /nfs/dbraw/zinc/27/66/44/938276644.db2.gz QDLWLODTBCDBIJ-XHSDSOJGSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001560806140 938276645 /nfs/dbraw/zinc/27/66/45/938276645.db2.gz QDLWLODTBCDBIJ-XHSDSOJGSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560929081 938284456 /nfs/dbraw/zinc/28/44/56/938284456.db2.gz MMDWJOCCPLSPDL-AJNGGQMLSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560929081 938284458 /nfs/dbraw/zinc/28/44/58/938284458.db2.gz MMDWJOCCPLSPDL-AJNGGQMLSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc(F)cc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001561051663 938291939 /nfs/dbraw/zinc/29/19/39/938291939.db2.gz FJJVOYDODLFQHX-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP COc1ccc(F)cc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001561051663 938291940 /nfs/dbraw/zinc/29/19/40/938291940.db2.gz FJJVOYDODLFQHX-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)SC1CCCCC1 ZINC001574794996 960465389 /nfs/dbraw/zinc/46/53/89/960465389.db2.gz JNIJVMVAGCNJCM-GDBMZVCRSA-N 2 2 282.497 3.126 20 0 CGADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)SC1CCCCC1 ZINC001574794996 960465402 /nfs/dbraw/zinc/46/54/02/960465402.db2.gz JNIJVMVAGCNJCM-GDBMZVCRSA-N 2 2 282.497 3.126 20 0 CGADLP COCC[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccco1 ZINC001579005528 960476139 /nfs/dbraw/zinc/47/61/39/960476139.db2.gz RFKYBKDWGXTOLE-ZIAGYGMSSA-N 2 2 282.428 3.100 20 0 CGADLP CC(C)(C)c1coc(C[N@H+](CCC[NH3+])CC2CCCC2)n1 ZINC001575277386 962356597 /nfs/dbraw/zinc/35/65/97/962356597.db2.gz OWMQKCOYYUWPHZ-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP CC(C)(C)c1coc(C[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC001575277386 962356612 /nfs/dbraw/zinc/35/66/12/962356612.db2.gz OWMQKCOYYUWPHZ-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP CC1(C)C[N@@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1[NH3+] ZINC001576457603 962457441 /nfs/dbraw/zinc/45/74/41/962457441.db2.gz JDMNJSADHIOQQS-KRWDZBQOSA-N 2 2 278.399 3.426 20 0 CGADLP CC1(C)C[N@H+](C2c3ccccc3-c3ccccc32)C[C@@H]1[NH3+] ZINC001576457603 962457447 /nfs/dbraw/zinc/45/74/47/962457447.db2.gz JDMNJSADHIOQQS-KRWDZBQOSA-N 2 2 278.399 3.426 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001576502925 962470038 /nfs/dbraw/zinc/47/00/38/962470038.db2.gz JFTRQGTUDLLPML-KRWDZBQOSA-N 2 2 286.375 3.243 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001576502925 962470055 /nfs/dbraw/zinc/47/00/55/962470055.db2.gz JFTRQGTUDLLPML-KRWDZBQOSA-N 2 2 286.375 3.243 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)[C@@H]1C[NH3+] ZINC001576704126 962481110 /nfs/dbraw/zinc/48/11/10/962481110.db2.gz LQJBSSJPLUZPJR-IXDOHACOSA-N 2 2 294.483 3.318 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)[C@@H]1C[NH3+] ZINC001576704126 962481120 /nfs/dbraw/zinc/48/11/20/962481120.db2.gz LQJBSSJPLUZPJR-IXDOHACOSA-N 2 2 294.483 3.318 20 0 CGADLP CCOc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC001578176730 962574822 /nfs/dbraw/zinc/57/48/22/962574822.db2.gz OBJWLJYLEWWDPE-UHFFFAOYSA-N 2 2 288.391 3.029 20 0 CGADLP CCOc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC001578176730 962574829 /nfs/dbraw/zinc/57/48/29/962574829.db2.gz OBJWLJYLEWWDPE-UHFFFAOYSA-N 2 2 288.391 3.029 20 0 CGADLP CCc1cccc2cc(C[NH2+]C[C@@H]([NH3+])C(C)C)oc21 ZINC001578268467 962581067 /nfs/dbraw/zinc/58/10/67/962581067.db2.gz IGAAAJZVAVFQNE-OAHLLOKOSA-N 2 2 260.381 3.068 20 0 CGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]([NH3+])CCOC)o1 ZINC001578255564 962581861 /nfs/dbraw/zinc/58/18/61/962581861.db2.gz UGHSTOBXHMVRDL-ZBFHGGJFSA-N 2 2 294.439 3.123 20 0 CGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H]([NH3+])CCOC)o1 ZINC001578255564 962581870 /nfs/dbraw/zinc/58/18/70/962581870.db2.gz UGHSTOBXHMVRDL-ZBFHGGJFSA-N 2 2 294.439 3.123 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC001579571372 962637088 /nfs/dbraw/zinc/63/70/88/962637088.db2.gz CVRIOPPEFWUYRR-ISHXATMKSA-N 2 2 270.420 3.108 20 0 CGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC001579551496 962640017 /nfs/dbraw/zinc/64/00/17/962640017.db2.gz MESUTHICZCUNFU-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC001579551496 962640026 /nfs/dbraw/zinc/64/00/26/962640026.db2.gz MESUTHICZCUNFU-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001579684365 962657150 /nfs/dbraw/zinc/65/71/50/962657150.db2.gz BRZMFFSLEUSADE-NIKGAXFTSA-N 2 2 280.415 3.140 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001579740715 962660393 /nfs/dbraw/zinc/66/03/93/962660393.db2.gz VEXNZODSKJEIOK-QFBILLFUSA-N 2 2 280.415 3.332 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001579740715 962660399 /nfs/dbraw/zinc/66/03/99/962660399.db2.gz VEXNZODSKJEIOK-QFBILLFUSA-N 2 2 280.415 3.332 20 0 CGADLP Cc1scc(C[N@H+](CC[NH3+])CCc2ccccc2)c1C ZINC001579937581 962682470 /nfs/dbraw/zinc/68/24/70/962682470.db2.gz YOCLAFNKLKNVPA-UHFFFAOYSA-N 2 2 288.460 3.368 20 0 CGADLP Cc1scc(C[N@@H+](CC[NH3+])CCc2ccccc2)c1C ZINC001579937581 962682487 /nfs/dbraw/zinc/68/24/87/962682487.db2.gz YOCLAFNKLKNVPA-UHFFFAOYSA-N 2 2 288.460 3.368 20 0 CGADLP FC(F)(F)C1(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC001580018210 962687048 /nfs/dbraw/zinc/68/70/48/962687048.db2.gz DGLXICKPTJJBGK-KBPBESRZSA-N 2 2 298.352 3.064 20 0 CGADLP [NH3+]CC1([NH2+]Cc2cc(Cl)ccc2Cl)CCCC1 ZINC001580245217 962710923 /nfs/dbraw/zinc/71/09/23/962710923.db2.gz FLKORSSYUKITSY-UHFFFAOYSA-N 2 2 273.207 3.355 20 0 CGADLP c1cn(-c2cccc(N[C@@H]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2)c[nH+]1 ZINC001580890164 962746069 /nfs/dbraw/zinc/74/60/69/962746069.db2.gz INKHQHZTLPPJLH-YXJHDRRASA-N 2 2 296.418 3.205 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)ccn1 ZINC000621298675 349491832 /nfs/dbraw/zinc/49/18/32/349491832.db2.gz FOZBGVJRTNYFST-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000651225503 398218255 /nfs/dbraw/zinc/21/82/55/398218255.db2.gz DPUINYHOUVIUOC-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000651225503 398218258 /nfs/dbraw/zinc/21/82/58/398218258.db2.gz DPUINYHOUVIUOC-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000337506591 214128356 /nfs/dbraw/zinc/12/83/56/214128356.db2.gz FYBAVMCRPWKTLN-ZACQAIPSSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000337506591 214128358 /nfs/dbraw/zinc/12/83/58/214128358.db2.gz FYBAVMCRPWKTLN-ZACQAIPSSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc2ccccc2c1 ZINC000337678196 214211610 /nfs/dbraw/zinc/21/16/10/214211610.db2.gz TVYKEVBGJQAWRM-UHFFFAOYSA-N 2 2 265.360 3.168 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc2ccccc2c1 ZINC000337678196 214211611 /nfs/dbraw/zinc/21/16/11/214211611.db2.gz TVYKEVBGJQAWRM-UHFFFAOYSA-N 2 2 265.360 3.168 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000125308746 187178901 /nfs/dbraw/zinc/17/89/01/187178901.db2.gz CJKDSTCTFGVSHR-MAUKXSAKSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000125308746 187178902 /nfs/dbraw/zinc/17/89/02/187178902.db2.gz CJKDSTCTFGVSHR-MAUKXSAKSA-N 2 2 299.418 3.044 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000622043599 349623372 /nfs/dbraw/zinc/62/33/72/349623372.db2.gz DZSOVKFIAJXBPA-SJORKVTESA-N 2 2 286.350 3.069 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)s1 ZINC000347785452 282150409 /nfs/dbraw/zinc/15/04/09/282150409.db2.gz PWPJRGVEXCXZFL-CYBMUJFWSA-N 2 2 281.469 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2C(C)(C)C)s1 ZINC000347785452 282150410 /nfs/dbraw/zinc/15/04/10/282150410.db2.gz PWPJRGVEXCXZFL-CYBMUJFWSA-N 2 2 281.469 3.215 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3ccncc3F)n2c1 ZINC000337946822 214326010 /nfs/dbraw/zinc/32/60/10/214326010.db2.gz QGSIZNVBPACOAH-LBPRGKRZSA-N 2 2 284.338 3.028 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1ccccn1)C1CCCCC1 ZINC000651909256 398304518 /nfs/dbraw/zinc/30/45/18/398304518.db2.gz COXIPNHYNGYUMM-UHFFFAOYSA-N 2 2 275.440 3.216 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1ccccn1)C1CCCCC1 ZINC000651909256 398304520 /nfs/dbraw/zinc/30/45/20/398304520.db2.gz COXIPNHYNGYUMM-UHFFFAOYSA-N 2 2 275.440 3.216 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423476944 529453509 /nfs/dbraw/zinc/45/35/09/529453509.db2.gz SXGMYHCJSOGWNM-IRXDYDNUSA-N 2 2 272.367 3.242 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082442 346899999 /nfs/dbraw/zinc/89/99/99/346899999.db2.gz GMRXKNZBHVQFBZ-CJNGLKHVSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082442 346900001 /nfs/dbraw/zinc/90/00/01/346900001.db2.gz GMRXKNZBHVQFBZ-CJNGLKHVSA-N 2 2 273.355 3.420 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)C1CCCC1 ZINC000423494526 529611542 /nfs/dbraw/zinc/61/15/42/529611542.db2.gz ASIQCLIPJGFNSQ-DYVFJYSZSA-N 2 2 260.425 3.417 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1C[C@@H]1C ZINC000414065145 529595891 /nfs/dbraw/zinc/59/58/91/529595891.db2.gz FOMOBWRMHYNWOE-KKUMJFAQSA-N 2 2 261.413 3.298 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000623088771 349757779 /nfs/dbraw/zinc/75/77/79/349757779.db2.gz DAKBNEFKLKDPCD-DAXSKMNVSA-N 2 2 294.389 3.267 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423390628 529622302 /nfs/dbraw/zinc/62/23/02/529622302.db2.gz OSPVLOOPCNLCKH-HIFRSBDPSA-N 2 2 275.440 3.073 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414079933 529632061 /nfs/dbraw/zinc/63/20/61/529632061.db2.gz TZZKROHZURARPY-KBMXLJTQSA-N 2 2 269.392 3.397 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423496446 529617197 /nfs/dbraw/zinc/61/71/97/529617197.db2.gz DWAMOVGQXYLZFT-GVDBMIGSSA-N 2 2 258.409 3.027 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000449195688 529661970 /nfs/dbraw/zinc/66/19/70/529661970.db2.gz RHANLKNAFJUPED-VBNZEHGJSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000449195688 529661972 /nfs/dbraw/zinc/66/19/72/529661972.db2.gz RHANLKNAFJUPED-VBNZEHGJSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000423380313 529670411 /nfs/dbraw/zinc/67/04/11/529670411.db2.gz NTKIHEGAYUKMHE-XBFCOCLRSA-N 2 2 298.377 3.469 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(C)ccc1OC ZINC000423365140 529673338 /nfs/dbraw/zinc/67/33/38/529673338.db2.gz PGPYQCODFKEREB-KBMXLJTQSA-N 2 2 276.424 3.042 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431338 349808168 /nfs/dbraw/zinc/80/81/68/349808168.db2.gz BGESSPMBCULPSA-QWHCGFSZSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431338 349808170 /nfs/dbraw/zinc/80/81/70/349808170.db2.gz BGESSPMBCULPSA-QWHCGFSZSA-N 2 2 294.414 3.358 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2COc3ccccc32)c[nH+]1 ZINC000351232460 219087656 /nfs/dbraw/zinc/08/76/56/219087656.db2.gz YAFYGSIVHOSUAL-CRAIPNDOSA-N 2 2 296.414 3.477 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000367440022 529721746 /nfs/dbraw/zinc/72/17/46/529721746.db2.gz ZARGSNQRTKGKAU-LBPRGKRZSA-N 2 2 273.380 3.226 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000623656052 349856792 /nfs/dbraw/zinc/85/67/92/349856792.db2.gz LZUJKOSSOIJSCH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000623656052 349856794 /nfs/dbraw/zinc/85/67/94/349856794.db2.gz LZUJKOSSOIJSCH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728851 349872371 /nfs/dbraw/zinc/87/23/71/349872371.db2.gz CBDWNFAAWZTXSA-VZEFYGNVSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728851 349872373 /nfs/dbraw/zinc/87/23/73/349872373.db2.gz CBDWNFAAWZTXSA-VZEFYGNVSA-N 2 2 262.441 3.028 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351595657 219139935 /nfs/dbraw/zinc/13/99/35/219139935.db2.gz FMBANKXIWYUTRW-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351595657 219139936 /nfs/dbraw/zinc/13/99/36/219139936.db2.gz FMBANKXIWYUTRW-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(Cl)c1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000351595657 219139938 /nfs/dbraw/zinc/13/99/38/219139938.db2.gz FMBANKXIWYUTRW-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(Cl)c1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351595657 219139939 /nfs/dbraw/zinc/13/99/39/219139939.db2.gz FMBANKXIWYUTRW-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1ccon1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411283107 530013581 /nfs/dbraw/zinc/01/35/81/530013581.db2.gz KHNVDQRORCHEGR-UHFFFAOYSA-N 2 2 299.418 3.293 20 0 CGADLP C[N@@H+](Cc1ccon1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411283107 530013582 /nfs/dbraw/zinc/01/35/82/530013582.db2.gz KHNVDQRORCHEGR-UHFFFAOYSA-N 2 2 299.418 3.293 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423376727 530040929 /nfs/dbraw/zinc/04/09/29/530040929.db2.gz BDPFLYLABQQMMJ-YJBOKZPZSA-N 2 2 268.404 3.168 20 0 CGADLP c1cn(CCCC2CC[NH+](CCc3ccncc3)CC2)c[nH+]1 ZINC000351612139 219145743 /nfs/dbraw/zinc/14/57/43/219145743.db2.gz UTLIEMVDIHROTF-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672465 344964705 /nfs/dbraw/zinc/96/47/05/344964705.db2.gz GJRJBIIVPSDILT-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672465 344964710 /nfs/dbraw/zinc/96/47/10/344964710.db2.gz GJRJBIIVPSDILT-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040671642 344964914 /nfs/dbraw/zinc/96/49/14/344964914.db2.gz QIBPZEDMHVOUHW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040671642 344964916 /nfs/dbraw/zinc/96/49/16/344964916.db2.gz QIBPZEDMHVOUHW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707467 345075373 /nfs/dbraw/zinc/07/53/73/345075373.db2.gz RGWVDOVIDBDMQO-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707467 345075375 /nfs/dbraw/zinc/07/53/75/345075375.db2.gz RGWVDOVIDBDMQO-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCCCCC3)cc2)c[nH+]1 ZINC000070921262 345397853 /nfs/dbraw/zinc/39/78/53/345397853.db2.gz APIGHVQQJQSFET-UHFFFAOYSA-N 2 2 255.365 3.248 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CC[NH2+]CC1(F)F ZINC000576279597 335182036 /nfs/dbraw/zinc/18/20/36/335182036.db2.gz CUNUKHJRBLUQNH-LBPRGKRZSA-N 2 2 291.345 3.200 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)nc1 ZINC000133730730 232199310 /nfs/dbraw/zinc/19/93/10/232199310.db2.gz WRVLTUNBIHOSNP-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)nc1 ZINC000133730730 232199314 /nfs/dbraw/zinc/19/93/14/232199314.db2.gz WRVLTUNBIHOSNP-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000080973853 345693570 /nfs/dbraw/zinc/69/35/70/345693570.db2.gz BUEDXECCZHRCQC-LBPRGKRZSA-N 2 2 288.395 3.075 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000080973853 345693574 /nfs/dbraw/zinc/69/35/74/345693574.db2.gz BUEDXECCZHRCQC-LBPRGKRZSA-N 2 2 288.395 3.075 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1C ZINC000090048268 345779236 /nfs/dbraw/zinc/77/92/36/345779236.db2.gz FEBRVYBHQIRGTK-RDJZCZTQSA-N 2 2 290.451 3.065 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047718 345779587 /nfs/dbraw/zinc/77/95/87/345779587.db2.gz UUXJCTRPTVWDKN-HOTGVXAUSA-N 2 2 290.451 3.010 20 0 CGADLP CC(C)c1cc(NCC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000090088159 345782263 /nfs/dbraw/zinc/78/22/63/345782263.db2.gz STWGDDQIASOJBT-UHFFFAOYSA-N 2 2 290.455 3.477 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092745503 345856306 /nfs/dbraw/zinc/85/63/06/345856306.db2.gz HSTFITFSTHNQGJ-CQSZACIVSA-N 2 2 281.419 3.383 20 0 CGADLP c1[nH]c(C[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000091963527 345826484 /nfs/dbraw/zinc/82/64/84/345826484.db2.gz XWEDGMVZRWUMFF-NVXWUHKLSA-N 2 2 267.376 3.311 20 0 CGADLP c1[nH]c(C[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000091963527 345826485 /nfs/dbraw/zinc/82/64/85/345826485.db2.gz XWEDGMVZRWUMFF-NVXWUHKLSA-N 2 2 267.376 3.311 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960078 345826613 /nfs/dbraw/zinc/82/66/13/345826613.db2.gz GEFZSRHETFDRKQ-OLZOCXBDSA-N 2 2 291.420 3.036 20 0 CGADLP COc1ccsc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960078 345826616 /nfs/dbraw/zinc/82/66/16/345826616.db2.gz GEFZSRHETFDRKQ-OLZOCXBDSA-N 2 2 291.420 3.036 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH]1 ZINC000092073864 345830424 /nfs/dbraw/zinc/83/04/24/345830424.db2.gz METMXEYTXZTWDV-AWEZNQCLSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH]1 ZINC000092073864 345830426 /nfs/dbraw/zinc/83/04/26/345830426.db2.gz METMXEYTXZTWDV-AWEZNQCLSA-N 2 2 280.375 3.271 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563596 345882630 /nfs/dbraw/zinc/88/26/30/345882630.db2.gz XXMCZOXJYFAKAP-ZDUSSCGKSA-N 2 2 282.815 3.383 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563596 345882632 /nfs/dbraw/zinc/88/26/32/345882632.db2.gz XXMCZOXJYFAKAP-ZDUSSCGKSA-N 2 2 282.815 3.383 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527937 346013162 /nfs/dbraw/zinc/01/31/62/346013162.db2.gz YJQYIQKOPLUPLB-KOLCDFICSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527937 346013165 /nfs/dbraw/zinc/01/31/65/346013165.db2.gz YJQYIQKOPLUPLB-KOLCDFICSA-N 2 2 273.207 3.305 20 0 CGADLP CC(C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000140636861 346105250 /nfs/dbraw/zinc/10/52/50/346105250.db2.gz FCPKHLKICZQYAN-UHFFFAOYSA-N 2 2 289.810 3.419 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000177778186 232374956 /nfs/dbraw/zinc/37/49/56/232374956.db2.gz KEDTUCBOYPIGKY-KDOFPFPSSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000177778186 232374960 /nfs/dbraw/zinc/37/49/60/232374960.db2.gz KEDTUCBOYPIGKY-KDOFPFPSSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000177253444 232360449 /nfs/dbraw/zinc/36/04/49/232360449.db2.gz ZPPXXKSAYIRDFR-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000177253444 232360452 /nfs/dbraw/zinc/36/04/52/232360452.db2.gz ZPPXXKSAYIRDFR-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(Br)c1 ZINC000164127239 346182463 /nfs/dbraw/zinc/18/24/63/346182463.db2.gz XTQSHFUXVJCRHS-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(Br)c1 ZINC000164127239 346182466 /nfs/dbraw/zinc/18/24/66/346182466.db2.gz XTQSHFUXVJCRHS-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000226708838 346307039 /nfs/dbraw/zinc/30/70/39/346307039.db2.gz XLIGPWMGZSNOIB-JKSUJKDBSA-N 2 2 260.425 3.357 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000226708838 346307045 /nfs/dbraw/zinc/30/70/45/346307045.db2.gz XLIGPWMGZSNOIB-JKSUJKDBSA-N 2 2 260.425 3.357 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000250443673 346385404 /nfs/dbraw/zinc/38/54/04/346385404.db2.gz SBIQQDSRAKTQHQ-CVEARBPZSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000250443673 346385408 /nfs/dbraw/zinc/38/54/08/346385408.db2.gz SBIQQDSRAKTQHQ-CVEARBPZSA-N 2 2 278.465 3.417 20 0 CGADLP c1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000316479762 346484776 /nfs/dbraw/zinc/48/47/76/346484776.db2.gz WRNMPMNKXFVIGJ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000316479762 346484782 /nfs/dbraw/zinc/48/47/82/346484782.db2.gz WRNMPMNKXFVIGJ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000311528723 346474106 /nfs/dbraw/zinc/47/41/06/346474106.db2.gz GNSJFVFJUZZTNH-INIZCTEOSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000383665881 346562657 /nfs/dbraw/zinc/56/26/57/346562657.db2.gz KRTUANWLLMHKPV-SNVBAGLBSA-N 2 2 275.223 3.281 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400469830 346589623 /nfs/dbraw/zinc/58/96/23/346589623.db2.gz XHSQHXCGNCFXOQ-OFQRWUPVSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1C ZINC000584850758 346718643 /nfs/dbraw/zinc/71/86/43/346718643.db2.gz QQDVKYXBMBVNGF-ZBFHGGJFSA-N 2 2 287.382 3.294 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCSC2)c[nH+]1 ZINC000584866120 346719586 /nfs/dbraw/zinc/71/95/86/346719586.db2.gz OVIAYOXKSNLYOW-OAHLLOKOSA-N 2 2 264.438 3.055 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000599207409 347727055 /nfs/dbraw/zinc/72/70/55/347727055.db2.gz QDQAILULDUNCTO-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1Cl ZINC000123661492 535066135 /nfs/dbraw/zinc/06/61/35/535066135.db2.gz FDUTTZMBUNUUPW-CQSZACIVSA-N 2 2 254.805 3.145 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1Cl ZINC000123661492 535066143 /nfs/dbraw/zinc/06/61/43/535066143.db2.gz FDUTTZMBUNUUPW-CQSZACIVSA-N 2 2 254.805 3.145 20 0 CGADLP C[C@H](CC[NH2+]Cc1cccc(O)c1Cl)[NH+]1CCCCC1 ZINC000339344847 215108473 /nfs/dbraw/zinc/10/84/73/215108473.db2.gz CXYHKJDPSBKEML-CYBMUJFWSA-N 2 2 296.842 3.400 20 0 CGADLP Cc1ccoc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608069568 348282378 /nfs/dbraw/zinc/28/23/78/348282378.db2.gz CHZBWUFGLYHHCI-INIZCTEOSA-N 2 2 295.386 3.395 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339488340 215203459 /nfs/dbraw/zinc/20/34/59/215203459.db2.gz ZRMWLTVDSSMXBG-OFQRWUPVSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339488340 215203461 /nfs/dbraw/zinc/20/34/61/215203461.db2.gz ZRMWLTVDSSMXBG-OFQRWUPVSA-N 2 2 264.388 3.160 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624188555 349996592 /nfs/dbraw/zinc/99/65/92/349996592.db2.gz VTCMGDZBMMDWRM-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624188555 349996594 /nfs/dbraw/zinc/99/65/94/349996594.db2.gz VTCMGDZBMMDWRM-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358142287 233063880 /nfs/dbraw/zinc/06/38/80/233063880.db2.gz QSKJMIWXLONOSH-UHFFFAOYSA-N 2 2 284.403 3.483 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358142287 233063883 /nfs/dbraw/zinc/06/38/83/233063883.db2.gz QSKJMIWXLONOSH-UHFFFAOYSA-N 2 2 284.403 3.483 20 0 CGADLP COCCCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359024859 233243310 /nfs/dbraw/zinc/24/33/10/233243310.db2.gz BIMHNHURYTXBBD-SZMVWBNQSA-N 2 2 290.451 3.084 20 0 CGADLP COCCCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359024859 233243312 /nfs/dbraw/zinc/24/33/12/233243312.db2.gz BIMHNHURYTXBBD-SZMVWBNQSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000359131216 233265918 /nfs/dbraw/zinc/26/59/18/233265918.db2.gz MIFCAUHPNSWSQI-SECBINFHSA-N 2 2 289.326 3.222 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213624 350141461 /nfs/dbraw/zinc/14/14/61/350141461.db2.gz MRKPPAHQVXMDNY-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213624 350141465 /nfs/dbraw/zinc/14/14/65/350141465.db2.gz MRKPPAHQVXMDNY-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP CCC[C@@H](C)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000625272668 350150955 /nfs/dbraw/zinc/15/09/55/350150955.db2.gz HGLPMRGIRRLQJC-OAHLLOKOSA-N 2 2 251.418 3.421 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000625272668 350150959 /nfs/dbraw/zinc/15/09/59/350150959.db2.gz HGLPMRGIRRLQJC-OAHLLOKOSA-N 2 2 251.418 3.421 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000271281622 191048886 /nfs/dbraw/zinc/04/88/86/191048886.db2.gz PLKSKZPPQFAQCQ-WMLDXEAASA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000271281622 191048889 /nfs/dbraw/zinc/04/88/89/191048889.db2.gz PLKSKZPPQFAQCQ-WMLDXEAASA-N 2 2 299.418 3.283 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000359521683 233328509 /nfs/dbraw/zinc/32/85/09/233328509.db2.gz DPVLSVMKSCYPOT-AEFFLSMTSA-N 2 2 290.451 3.002 20 0 CGADLP CC[N@H+](Cc1ncc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062101 350254609 /nfs/dbraw/zinc/25/46/09/350254609.db2.gz HKYZFVYLKZFREZ-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC[N@@H+](Cc1ncc(C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062101 350254613 /nfs/dbraw/zinc/25/46/13/350254613.db2.gz HKYZFVYLKZFREZ-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000352211253 219361919 /nfs/dbraw/zinc/36/19/19/219361919.db2.gz JGVSOVVNTZDYNJ-GOSISDBHSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000352211253 219361920 /nfs/dbraw/zinc/36/19/20/219361920.db2.gz JGVSOVVNTZDYNJ-GOSISDBHSA-N 2 2 283.419 3.327 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000629526823 350702271 /nfs/dbraw/zinc/70/22/71/350702271.db2.gz ANFZYYRHVNDEEP-GVDBMIGSSA-N 2 2 258.409 3.103 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000629534501 350704610 /nfs/dbraw/zinc/70/46/10/350704610.db2.gz ALEHQJKDJNTRNR-HBUWYVDXSA-N 2 2 289.467 3.244 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C[NH2+]1 ZINC000629535149 350705257 /nfs/dbraw/zinc/70/52/57/350705257.db2.gz CCRGSMOSVGZANX-WVZRYYJFSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cnc2ccsc2c1 ZINC000629539118 350706696 /nfs/dbraw/zinc/70/66/96/350706696.db2.gz MUWKOMPUKKSZPO-NTZNESFSSA-N 2 2 275.421 3.087 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2n1 ZINC000629541845 350707753 /nfs/dbraw/zinc/70/77/53/350707753.db2.gz XEVHEFNBTBKJJU-IPYPFGDCSA-N 2 2 269.392 3.026 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC(F)F)cc1 ZINC000629544844 350709402 /nfs/dbraw/zinc/70/94/02/350709402.db2.gz DGBVSRICVBPTOS-ZLKJLUDKSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCS2 ZINC000629546947 350709942 /nfs/dbraw/zinc/70/99/42/350709942.db2.gz ZPUXQDXVSHOSPV-NWANDNLSSA-N 2 2 276.449 3.180 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000629546649 350710141 /nfs/dbraw/zinc/71/01/41/350710141.db2.gz VKJBYAOKZBUJQX-DXCKQFNASA-N 2 2 272.392 3.470 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)ccc2c1 ZINC000629394362 350687265 /nfs/dbraw/zinc/68/72/65/350687265.db2.gz HMYGJLOSJMBZLM-SUMWQHHRSA-N 2 2 284.403 3.079 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000629519010 350700792 /nfs/dbraw/zinc/70/07/92/350700792.db2.gz AEEMPAXNGHXMKK-SWLSCSKDSA-N 2 2 276.449 3.344 20 0 CGADLP COc1ccc(C(C)(C)[NH2+]CC[NH2+]C(C)(C)C)cc1F ZINC000629655571 350731262 /nfs/dbraw/zinc/73/12/62/350731262.db2.gz ZZISARYAWSJGTH-UHFFFAOYSA-N 2 2 282.403 3.047 20 0 CGADLP CNc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)c[nH+]1 ZINC000629701313 350744132 /nfs/dbraw/zinc/74/41/32/350744132.db2.gz AOPFGZZFSLOZNL-AWEZNQCLSA-N 2 2 281.403 3.197 20 0 CGADLP CNc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)c[nH+]1 ZINC000629701313 350744134 /nfs/dbraw/zinc/74/41/34/350744134.db2.gz AOPFGZZFSLOZNL-AWEZNQCLSA-N 2 2 281.403 3.197 20 0 CGADLP c1ccc2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]cc2c1 ZINC000631059247 350939351 /nfs/dbraw/zinc/93/93/51/350939351.db2.gz REZXIDSLRAYNQE-ZDUSSCGKSA-N 2 2 267.376 3.131 20 0 CGADLP c1ccc2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]cc2c1 ZINC000631059247 350939354 /nfs/dbraw/zinc/93/93/54/350939354.db2.gz REZXIDSLRAYNQE-ZDUSSCGKSA-N 2 2 267.376 3.131 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000631114328 350958708 /nfs/dbraw/zinc/95/87/08/350958708.db2.gz BPGZGDTZKAZOPS-WRFKIARRSA-N 2 2 295.430 3.426 20 0 CGADLP CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631666183 351110870 /nfs/dbraw/zinc/11/08/70/351110870.db2.gz COFVIBFLNRPQBP-ZBFHGGJFSA-N 2 2 287.407 3.074 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000271432995 191134995 /nfs/dbraw/zinc/13/49/95/191134995.db2.gz DILRQHQBAKGHQB-KRWDZBQOSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433757 191135065 /nfs/dbraw/zinc/13/50/65/191135065.db2.gz CFYQWPIKHCMEQE-SUNYJGFJSA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433757 191135067 /nfs/dbraw/zinc/13/50/67/191135067.db2.gz CFYQWPIKHCMEQE-SUNYJGFJSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000130322822 187485461 /nfs/dbraw/zinc/48/54/61/187485461.db2.gz NCHYUKIHLLBFLB-CABCVRRESA-N 2 2 257.381 3.239 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992000 351619209 /nfs/dbraw/zinc/61/92/09/351619209.db2.gz ZONKZNJSCPBLGC-SFYCDEOASA-N 2 2 270.376 3.178 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992000 351619211 /nfs/dbraw/zinc/61/92/11/351619211.db2.gz ZONKZNJSCPBLGC-SFYCDEOASA-N 2 2 270.376 3.178 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996657 351621060 /nfs/dbraw/zinc/62/10/60/351621060.db2.gz QCCZNGZZRAKTBN-BFHRDPOASA-N 2 2 270.420 3.007 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996657 351621062 /nfs/dbraw/zinc/62/10/62/351621062.db2.gz QCCZNGZZRAKTBN-BFHRDPOASA-N 2 2 270.420 3.007 20 0 CGADLP C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000635004185 351622808 /nfs/dbraw/zinc/62/28/08/351622808.db2.gz NJCJCJQDQCASIA-KOLCDFICSA-N 2 2 292.370 3.387 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000635006932 351625347 /nfs/dbraw/zinc/62/53/47/351625347.db2.gz NCYYUYZHNXXKLA-SWLSCSKDSA-N 2 2 289.448 3.062 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(CSC(F)F)o1)C[NH+](C)C ZINC000291695449 198061730 /nfs/dbraw/zinc/06/17/30/198061730.db2.gz JQKUZNOIBPMAKO-SNVBAGLBSA-N 2 2 292.395 3.023 20 0 CGADLP Cc1cccn2cc(Cn3cc[nH+]c3C(C)C)[nH+]c12 ZINC000123592790 187099862 /nfs/dbraw/zinc/09/98/62/187099862.db2.gz GWKUBHQHYWYBCY-UHFFFAOYSA-N 2 2 254.337 3.011 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000271557561 191211020 /nfs/dbraw/zinc/21/10/20/191211020.db2.gz WDTITCVPNICVLL-GFCCVEGCSA-N 2 2 275.783 3.332 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000366740631 234189585 /nfs/dbraw/zinc/18/95/85/234189585.db2.gz SMJFGGOYCGSODB-RYUDHWBXSA-N 2 2 291.420 3.181 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000366770758 234190639 /nfs/dbraw/zinc/19/06/39/234190639.db2.gz FYCSHTIPRVXOHO-QAPCUYQASA-N 2 2 296.414 3.477 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367369020 234208578 /nfs/dbraw/zinc/20/85/78/234208578.db2.gz ZBZACNUXLLTTDC-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237817 198212794 /nfs/dbraw/zinc/21/27/94/198212794.db2.gz WKJNKMVSVHHANF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237817 198212795 /nfs/dbraw/zinc/21/27/95/198212795.db2.gz WKJNKMVSVHHANF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237817 198212797 /nfs/dbraw/zinc/21/27/97/198212797.db2.gz WKJNKMVSVHHANF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000292237817 198212798 /nfs/dbraw/zinc/21/27/98/198212798.db2.gz WKJNKMVSVHHANF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292227834 198209743 /nfs/dbraw/zinc/20/97/43/198209743.db2.gz VNWCPYRIBTYIBW-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292227834 198209745 /nfs/dbraw/zinc/20/97/45/198209745.db2.gz VNWCPYRIBTYIBW-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292227834 198209746 /nfs/dbraw/zinc/20/97/46/198209746.db2.gz VNWCPYRIBTYIBW-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292227834 198209748 /nfs/dbraw/zinc/20/97/48/198209748.db2.gz VNWCPYRIBTYIBW-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000154539055 188148538 /nfs/dbraw/zinc/14/85/38/188148538.db2.gz WNULIYRLNBRMLF-ZJUUUORDSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000154539055 188148539 /nfs/dbraw/zinc/14/85/39/188148539.db2.gz WNULIYRLNBRMLF-ZJUUUORDSA-N 2 2 258.818 3.146 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1F ZINC000155677622 188221687 /nfs/dbraw/zinc/22/16/87/188221687.db2.gz MQGLZZMEWAZNRT-NSHDSACASA-N 2 2 279.384 3.095 20 0 CGADLP Fc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157215930 188303863 /nfs/dbraw/zinc/30/38/63/188303863.db2.gz KMZPDAUXLAOLPA-INIZCTEOSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157215930 188303864 /nfs/dbraw/zinc/30/38/64/188303864.db2.gz KMZPDAUXLAOLPA-INIZCTEOSA-N 2 2 276.399 3.276 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](c3cccnc3)C3CC3)c[nH+]c12 ZINC000340105573 215455340 /nfs/dbraw/zinc/45/53/40/215455340.db2.gz SEOKGPOCXZECSD-KRWDZBQOSA-N 2 2 292.386 3.279 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427884572 283003731 /nfs/dbraw/zinc/00/37/31/283003731.db2.gz GUBKBXXNKMZWEW-HOCLYGCPSA-N 2 2 285.366 3.004 20 0 CGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000414095600 283028998 /nfs/dbraw/zinc/02/89/98/283028998.db2.gz KPCVYJDXRJHNOH-UHFFFAOYSA-N 2 2 274.383 3.031 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759387 191310344 /nfs/dbraw/zinc/31/03/44/191310344.db2.gz YEOMCPTZIZJAPF-HOCLYGCPSA-N 2 2 299.418 3.401 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759387 191310346 /nfs/dbraw/zinc/31/03/46/191310346.db2.gz YEOMCPTZIZJAPF-HOCLYGCPSA-N 2 2 299.418 3.401 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000459457974 283057382 /nfs/dbraw/zinc/05/73/82/283057382.db2.gz QQPKNZBBOHSFHZ-IAGOWNOFSA-N 2 2 270.420 3.354 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000459457974 283057384 /nfs/dbraw/zinc/05/73/84/283057384.db2.gz QQPKNZBBOHSFHZ-IAGOWNOFSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@H]([NH2+]CCc1cncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000411513195 235063476 /nfs/dbraw/zinc/06/34/76/235063476.db2.gz UGPJJJQFXJXTRE-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3c(Cl)cccc32)c1 ZINC000414129636 235342770 /nfs/dbraw/zinc/34/27/70/235342770.db2.gz VPGNQGKQIYFTLT-INIZCTEOSA-N 2 2 289.810 3.283 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414139094 235345530 /nfs/dbraw/zinc/34/55/30/235345530.db2.gz HGYASTNWEZQFLV-ZFWWWQNUSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414139071 235345774 /nfs/dbraw/zinc/34/57/74/235345774.db2.gz HGYASTNWEZQFLV-DZGCQCFKSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cscn3)CC2)C1 ZINC000127339746 138388841 /nfs/dbraw/zinc/38/88/41/138388841.db2.gz CTEANQPXKJZOSU-BBRMVZONSA-N 2 2 293.480 3.276 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cscn3)CC2)C1 ZINC000127339955 138389178 /nfs/dbraw/zinc/38/91/78/138389178.db2.gz CTEANQPXKJZOSU-CZUORRHYSA-N 2 2 293.480 3.276 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000422727422 235909973 /nfs/dbraw/zinc/90/99/73/235909973.db2.gz HKTPNHVEIPDMAE-KGLIPLIRSA-N 2 2 252.789 3.090 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000178065958 138426323 /nfs/dbraw/zinc/42/63/23/138426323.db2.gz FKSDEAAFKHXRJI-HUUCEWRRSA-N 2 2 296.480 3.290 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033693 235960130 /nfs/dbraw/zinc/96/01/30/235960130.db2.gz ZQKARUMQJQMMEM-NHYWBVRUSA-N 2 2 296.817 3.098 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000423229407 236003546 /nfs/dbraw/zinc/00/35/46/236003546.db2.gz BEUYHRGMYQZPKJ-ZANVPECISA-N 2 2 273.207 3.396 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423232633 236003981 /nfs/dbraw/zinc/00/39/81/236003981.db2.gz CFIYXGSOMVUIQT-QZTJIDSGSA-N 2 2 284.378 3.493 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000423236043 236005241 /nfs/dbraw/zinc/00/52/41/236005241.db2.gz HEFHHUZWCRVKSO-TZMCWYRMSA-N 2 2 260.406 3.407 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423245409 236007463 /nfs/dbraw/zinc/00/74/63/236007463.db2.gz IUFGMOAVRKSICU-CRAIPNDOSA-N 2 2 283.419 3.082 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423245799 236007845 /nfs/dbraw/zinc/00/78/45/236007845.db2.gz YRZOHIOOVFPOTO-KSSFIOAISA-N 2 2 281.403 3.151 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CSCCc2ccccc21)c1ccccc1 ZINC000423249393 236009071 /nfs/dbraw/zinc/00/90/71/236009071.db2.gz SXYADOCRMSBPEO-MSOLQXFVSA-N 2 2 298.455 3.307 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)c1ccccc1 ZINC000423249285 236009150 /nfs/dbraw/zinc/00/91/50/236009150.db2.gz OLPNIPHCNYVXKV-XHSDSOJGSA-N 2 2 264.388 3.194 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423253320 236010033 /nfs/dbraw/zinc/01/00/33/236010033.db2.gz YZJXHPNIRFRPPB-RTBURBONSA-N 2 2 296.414 3.362 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000423316591 236035410 /nfs/dbraw/zinc/03/54/10/236035410.db2.gz AEJPUVHKNRFQLY-SFHVURJKSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cc([C@@H]([NH2+]CC2([NH3+])CCC2)c2cccnc2)ccc1F ZINC000423334287 236042605 /nfs/dbraw/zinc/04/26/05/236042605.db2.gz SNSSEOOQFSBMRC-QGZVFWFLSA-N 2 2 299.393 3.090 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1F ZINC000423392389 236061258 /nfs/dbraw/zinc/06/12/58/236061258.db2.gz QJEIPQQXPYIZAQ-WBMJQRKESA-N 2 2 294.414 3.263 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[NH2+]1 ZINC000423380010 236056007 /nfs/dbraw/zinc/05/60/07/236056007.db2.gz MMIIHGZQWTUXMB-KMFMINBZSA-N 2 2 270.376 3.099 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1c[nH+]cn1C(C)C ZINC000424160291 236126968 /nfs/dbraw/zinc/12/69/68/236126968.db2.gz UCBMBBLNPWBGJQ-INIZCTEOSA-N 2 2 285.391 3.304 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@H]3C3CCC3)c2)c[nH+]1 ZINC000424188760 236131246 /nfs/dbraw/zinc/13/12/46/236131246.db2.gz CHJUPKLTVWTHTC-LSDHHAIUSA-N 2 2 273.405 3.212 20 0 CGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000424379292 236159247 /nfs/dbraw/zinc/15/92/47/236159247.db2.gz VHTABENDKOWEGP-DZVNLGKHSA-N 2 2 288.410 3.134 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@H+]3[C@H](C)CCC[C@@H]3C)C[C@H]2C1 ZINC000424312433 236145641 /nfs/dbraw/zinc/14/56/41/236145641.db2.gz MLCLHNBNVWXHHF-COYYTBTLSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@@H+]3[C@H](C)CCC[C@@H]3C)C[C@H]2C1 ZINC000424312433 236145642 /nfs/dbraw/zinc/14/56/42/236145642.db2.gz MLCLHNBNVWXHHF-COYYTBTLSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)C[N@H+](Cc2ccccc2)C1 ZINC000425354562 236235305 /nfs/dbraw/zinc/23/53/05/236235305.db2.gz NCKLEOFNOMMYQR-HYVNUMGLSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)C[N@@H+](Cc2ccccc2)C1 ZINC000425354562 236235307 /nfs/dbraw/zinc/23/53/07/236235307.db2.gz NCKLEOFNOMMYQR-HYVNUMGLSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000427855270 236350203 /nfs/dbraw/zinc/35/02/03/236350203.db2.gz SBDYAWYEJLAYJJ-AAEUAGOBSA-N 2 2 287.432 3.099 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000428242751 236383451 /nfs/dbraw/zinc/38/34/51/236383451.db2.gz WMSSHLQKMRDLCI-OAHLLOKOSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000428242751 236383454 /nfs/dbraw/zinc/38/34/54/236383454.db2.gz WMSSHLQKMRDLCI-OAHLLOKOSA-N 2 2 291.439 3.024 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423316916 283390677 /nfs/dbraw/zinc/39/06/77/283390677.db2.gz YJSOBCRVMACXBK-AWEZNQCLSA-N 2 2 282.815 3.143 20 0 CGADLP CC(C)c1cc(NCCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000341277783 215907438 /nfs/dbraw/zinc/90/74/38/215907438.db2.gz VRBHDHBYXSMPCS-UHFFFAOYSA-N 2 2 290.455 3.043 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281644 237070404 /nfs/dbraw/zinc/07/04/04/237070404.db2.gz HJQREJFBGZBOMR-MBGYTDRXSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281644 237070407 /nfs/dbraw/zinc/07/04/07/237070407.db2.gz HJQREJFBGZBOMR-MBGYTDRXSA-N 2 2 270.420 3.005 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000437118550 237255734 /nfs/dbraw/zinc/25/57/34/237255734.db2.gz WSCVLIHOSRDYAV-ZWKOTPCHSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](CNc1cc[nH+]c2c(Cl)cccc12)[NH+](C)C ZINC000341797744 216108605 /nfs/dbraw/zinc/10/86/05/216108605.db2.gz LLNPCNCTSSTMFK-SNVBAGLBSA-N 2 2 263.772 3.250 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(Cl)c1 ZINC000298176687 200353460 /nfs/dbraw/zinc/35/34/60/200353460.db2.gz UYKGXQMWZAQAOC-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(Cl)c1 ZINC000298176687 200353463 /nfs/dbraw/zinc/35/34/63/200353463.db2.gz UYKGXQMWZAQAOC-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000178436143 189116350 /nfs/dbraw/zinc/11/63/50/189116350.db2.gz QPDFWAYOKNLMIZ-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000178436143 189116351 /nfs/dbraw/zinc/11/63/51/189116351.db2.gz QPDFWAYOKNLMIZ-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301508008 201037069 /nfs/dbraw/zinc/03/70/69/201037069.db2.gz DIGSEMQMCPHNKX-CHWSQXEVSA-N 2 2 276.428 3.059 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000301567399 201072524 /nfs/dbraw/zinc/07/25/24/201072524.db2.gz MPAJMVIOCJFYMP-CYBMUJFWSA-N 2 2 293.374 3.452 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301538006 201056172 /nfs/dbraw/zinc/05/61/72/201056172.db2.gz MIANBKPXYNKALQ-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301538006 201056175 /nfs/dbraw/zinc/05/61/75/201056175.db2.gz MIANBKPXYNKALQ-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP CC[N@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC000301614340 201098298 /nfs/dbraw/zinc/09/82/98/201098298.db2.gz ASGWCCHQWRBYLS-UHFFFAOYSA-N 2 2 264.417 3.051 20 0 CGADLP CC[N@@H+](CCNc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC000301614340 201098300 /nfs/dbraw/zinc/09/83/00/201098300.db2.gz ASGWCCHQWRBYLS-UHFFFAOYSA-N 2 2 264.417 3.051 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(O)c1 ZINC000183184558 189349211 /nfs/dbraw/zinc/34/92/11/189349211.db2.gz VZLQTEIRLKSWFV-CQSZACIVSA-N 2 2 273.380 3.062 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(O)c1 ZINC000183184558 189349212 /nfs/dbraw/zinc/34/92/12/189349212.db2.gz VZLQTEIRLKSWFV-CQSZACIVSA-N 2 2 273.380 3.062 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449045011 239138859 /nfs/dbraw/zinc/13/88/59/239138859.db2.gz GRMJVYGJRXGQSC-FUHWJXTLSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000449045011 239138863 /nfs/dbraw/zinc/13/88/63/239138863.db2.gz GRMJVYGJRXGQSC-FUHWJXTLSA-N 2 2 283.419 3.317 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000449071178 239156936 /nfs/dbraw/zinc/15/69/36/239156936.db2.gz APMOCCLPMKHBOE-OAHLLOKOSA-N 2 2 295.386 3.245 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194847 239238111 /nfs/dbraw/zinc/23/81/11/239238111.db2.gz PPYQEKDVQGKIFU-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194847 239238114 /nfs/dbraw/zinc/23/81/14/239238114.db2.gz PPYQEKDVQGKIFU-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000336344018 213191315 /nfs/dbraw/zinc/19/13/15/213191315.db2.gz RDJKPOUEAMWDFZ-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000336344018 213191318 /nfs/dbraw/zinc/19/13/18/213191318.db2.gz RDJKPOUEAMWDFZ-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]CC3=CCCCC3)CC2)ccn1 ZINC000449375123 239361450 /nfs/dbraw/zinc/36/14/50/239361450.db2.gz FMQBGXSFFICWLG-UHFFFAOYSA-N 2 2 285.435 3.136 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000449377192 239364359 /nfs/dbraw/zinc/36/43/59/239364359.db2.gz RSQCMKNCBCZOOV-VFPGXZCRSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000449377192 239364364 /nfs/dbraw/zinc/36/43/64/239364364.db2.gz RSQCMKNCBCZOOV-VFPGXZCRSA-N 2 2 290.426 3.377 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120167431 370744420 /nfs/dbraw/zinc/74/44/20/370744420.db2.gz LOAFOZLVXYPFMZ-MAUKXSAKSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120167431 370744425 /nfs/dbraw/zinc/74/44/25/370744425.db2.gz LOAFOZLVXYPFMZ-MAUKXSAKSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000120167431 370744429 /nfs/dbraw/zinc/74/44/29/370744429.db2.gz LOAFOZLVXYPFMZ-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000120167431 370744434 /nfs/dbraw/zinc/74/44/34/370744434.db2.gz LOAFOZLVXYPFMZ-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc2c(s1)CCCC2 ZINC000423503572 299348930 /nfs/dbraw/zinc/34/89/30/299348930.db2.gz MVYYCAZMMYRXEL-FZMZJTMJSA-N 2 2 293.480 3.190 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578048 212289240 /nfs/dbraw/zinc/28/92/40/212289240.db2.gz WGSUYKZLFVRWRF-RYUDHWBXSA-N 2 2 269.339 3.025 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578048 212289242 /nfs/dbraw/zinc/28/92/42/212289242.db2.gz WGSUYKZLFVRWRF-RYUDHWBXSA-N 2 2 269.339 3.025 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(Cl)c2)CC1 ZINC000121186795 370838538 /nfs/dbraw/zinc/83/85/38/370838538.db2.gz XEWOWWPHGKIJRH-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(Cl)c2)CC1 ZINC000121186795 370838540 /nfs/dbraw/zinc/83/85/40/370838540.db2.gz XEWOWWPHGKIJRH-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1Cl ZINC000121101227 370829618 /nfs/dbraw/zinc/82/96/18/370829618.db2.gz IRVGYWMVHNKESA-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1Cl ZINC000121101227 370829623 /nfs/dbraw/zinc/82/96/23/370829623.db2.gz IRVGYWMVHNKESA-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101227 370829628 /nfs/dbraw/zinc/82/96/28/370829628.db2.gz IRVGYWMVHNKESA-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101227 370829634 /nfs/dbraw/zinc/82/96/34/370829634.db2.gz IRVGYWMVHNKESA-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000424328668 299370626 /nfs/dbraw/zinc/37/06/26/299370626.db2.gz FKOCDJIDHIHGIU-ZLKJLUDKSA-N 2 2 252.789 3.261 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000459332649 242076054 /nfs/dbraw/zinc/07/60/54/242076054.db2.gz YOTGYOWAABCBHH-UHFFFAOYSA-N 2 2 261.413 3.009 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000459458168 242115093 /nfs/dbraw/zinc/11/50/93/242115093.db2.gz GNSWBURZFTYZKZ-IBGZPJMESA-N 2 2 297.446 3.406 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000459458168 242115097 /nfs/dbraw/zinc/11/50/97/242115097.db2.gz GNSWBURZFTYZKZ-IBGZPJMESA-N 2 2 297.446 3.406 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CCC3(CCCCC3)CC2)c1 ZINC000459652571 242163142 /nfs/dbraw/zinc/16/31/42/242163142.db2.gz CINUZRILJJWVFY-UHFFFAOYSA-N 2 2 275.440 3.445 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000459662248 242166486 /nfs/dbraw/zinc/16/64/86/242166486.db2.gz ZULPWMDVPAATKF-CRAIPNDOSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]3CC(C)C)c[nH+]c12 ZINC000459670867 242172157 /nfs/dbraw/zinc/17/21/57/242172157.db2.gz VJDZQSPWERXZDJ-UKRRQHHQSA-N 2 2 257.381 3.167 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000462811961 242364468 /nfs/dbraw/zinc/36/44/68/242364468.db2.gz GXHSDVNUKSSJJD-PBHICJAKSA-N 2 2 270.420 3.087 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000462811961 242364472 /nfs/dbraw/zinc/36/44/72/242364472.db2.gz GXHSDVNUKSSJJD-PBHICJAKSA-N 2 2 270.420 3.087 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000479449778 243105347 /nfs/dbraw/zinc/10/53/47/243105347.db2.gz HYAFWGXTYSVIDX-WMLDXEAASA-N 2 2 260.425 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000479449778 243105351 /nfs/dbraw/zinc/10/53/51/243105351.db2.gz HYAFWGXTYSVIDX-WMLDXEAASA-N 2 2 260.425 3.211 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163311 243217165 /nfs/dbraw/zinc/21/71/65/243217165.db2.gz KJONLCXYXQGBKG-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163311 243217170 /nfs/dbraw/zinc/21/71/70/243217170.db2.gz KJONLCXYXQGBKG-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163311 243217177 /nfs/dbraw/zinc/21/71/77/243217177.db2.gz KJONLCXYXQGBKG-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163311 243217181 /nfs/dbraw/zinc/21/71/81/243217181.db2.gz KJONLCXYXQGBKG-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484467505 243313962 /nfs/dbraw/zinc/31/39/62/243313962.db2.gz ACZVOFQBFIQGNY-PBHICJAKSA-N 2 2 292.492 3.337 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc2c(s1)CCC2 ZINC000484508840 243316356 /nfs/dbraw/zinc/31/63/56/243316356.db2.gz YETUNBTWYOESQQ-TYNCELHUSA-N 2 2 290.476 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc2c(s1)CCC2 ZINC000484508840 243316360 /nfs/dbraw/zinc/31/63/60/243316360.db2.gz YETUNBTWYOESQQ-TYNCELHUSA-N 2 2 290.476 3.370 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000486932902 243380706 /nfs/dbraw/zinc/38/07/06/243380706.db2.gz DMVOKUJVIYBXLB-YOEHRIQHSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000486979856 243390828 /nfs/dbraw/zinc/39/08/28/243390828.db2.gz KFQFXTBZYRENJH-RHSMWYFYSA-N 2 2 283.419 3.456 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019960324 368791016 /nfs/dbraw/zinc/79/10/16/368791016.db2.gz ZGDAHBUDYLRYAN-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019960324 368791019 /nfs/dbraw/zinc/79/10/19/368791019.db2.gz ZGDAHBUDYLRYAN-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP c1ccc([C@H](C[NH2+]C2CCSCC2)[NH+]2CCCC2)cc1 ZINC000035120897 368998040 /nfs/dbraw/zinc/99/80/40/368998040.db2.gz QUWJIMQFJBXEPV-KRWDZBQOSA-N 2 2 290.476 3.309 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904562 369037353 /nfs/dbraw/zinc/03/73/53/369037353.db2.gz YCSHWORRARNUAP-NVXWUHKLSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904562 369037358 /nfs/dbraw/zinc/03/73/58/369037358.db2.gz YCSHWORRARNUAP-NVXWUHKLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000036907681 369037401 /nfs/dbraw/zinc/03/74/01/369037401.db2.gz GASZCDZONSJXLP-LALPHHSUSA-N 2 2 266.816 3.158 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000036907681 369037409 /nfs/dbraw/zinc/03/74/09/369037409.db2.gz GASZCDZONSJXLP-LALPHHSUSA-N 2 2 266.816 3.158 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000037786514 369113319 /nfs/dbraw/zinc/11/33/19/369113319.db2.gz ZTNDPLSRNHPSGC-NSHDSACASA-N 2 2 281.469 3.365 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000041119663 369175409 /nfs/dbraw/zinc/17/54/09/369175409.db2.gz WFUOWHCBLAYVMO-JTQLQIEISA-N 2 2 267.735 3.026 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027814 369168316 /nfs/dbraw/zinc/16/83/16/369168316.db2.gz BABCLJOAWKHQDX-DYVFJYSZSA-N 2 2 254.377 3.324 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027814 369168319 /nfs/dbraw/zinc/16/83/19/369168319.db2.gz BABCLJOAWKHQDX-DYVFJYSZSA-N 2 2 254.377 3.324 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684771 369265292 /nfs/dbraw/zinc/26/52/92/369265292.db2.gz MILKMRPCCITPBC-ZBFHGGJFSA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684771 369265293 /nfs/dbraw/zinc/26/52/93/369265293.db2.gz MILKMRPCCITPBC-ZBFHGGJFSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684174 369265386 /nfs/dbraw/zinc/26/53/86/369265386.db2.gz BNOWQCGDPNPWKL-RISCZKNCSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684174 369265388 /nfs/dbraw/zinc/26/53/88/369265388.db2.gz BNOWQCGDPNPWKL-RISCZKNCSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044687918 369267224 /nfs/dbraw/zinc/26/72/24/369267224.db2.gz AICQSDKFRFNBKV-GDBMZVCRSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044687918 369267230 /nfs/dbraw/zinc/26/72/30/369267230.db2.gz AICQSDKFRFNBKV-GDBMZVCRSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685504 369267650 /nfs/dbraw/zinc/26/76/50/369267650.db2.gz NIABOPCPBZEBBK-CXAGYDPISA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685504 369267655 /nfs/dbraw/zinc/26/76/55/369267655.db2.gz NIABOPCPBZEBBK-CXAGYDPISA-N 2 2 270.420 3.063 20 0 CGADLP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686019 369267760 /nfs/dbraw/zinc/26/77/60/369267760.db2.gz WBAHCJCSAYUMML-ROKHWSDSSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686019 369267764 /nfs/dbraw/zinc/26/77/64/369267764.db2.gz WBAHCJCSAYUMML-ROKHWSDSSA-N 2 2 290.838 3.412 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646814 244308025 /nfs/dbraw/zinc/30/80/25/244308025.db2.gz HJQREJFBGZBOMR-DVUZTRGUSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646814 244308029 /nfs/dbraw/zinc/30/80/29/244308029.db2.gz HJQREJFBGZBOMR-DVUZTRGUSA-N 2 2 270.420 3.005 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663229 369283804 /nfs/dbraw/zinc/28/38/04/369283804.db2.gz NGDOHGKPHBERGB-HNNXBMFYSA-N 2 2 278.440 3.466 20 0 CGADLP Clc1ccsc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000494950257 244336336 /nfs/dbraw/zinc/33/63/36/244336336.db2.gz FKYAITJRIOOGAW-LBPRGKRZSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1ccsc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000494950257 244336337 /nfs/dbraw/zinc/33/63/37/244336337.db2.gz FKYAITJRIOOGAW-LBPRGKRZSA-N 2 2 294.807 3.450 20 0 CGADLP CCC[C@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000050401752 369438727 /nfs/dbraw/zinc/43/87/27/369438727.db2.gz ZUYMHBXVLFWZCT-AWEZNQCLSA-N 2 2 261.413 3.219 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192024 369643991 /nfs/dbraw/zinc/64/39/91/369643991.db2.gz FIVWOAOHCUINFH-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192024 369643994 /nfs/dbraw/zinc/64/39/94/369643994.db2.gz FIVWOAOHCUINFH-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000067500772 369718849 /nfs/dbraw/zinc/71/88/49/369718849.db2.gz FJWOEAHWEAVJKM-GFCCVEGCSA-N 2 2 297.324 3.328 20 0 CGADLP Cn1cccc1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000072889601 369843502 /nfs/dbraw/zinc/84/35/02/369843502.db2.gz APSGLTDPYLUHHN-OAHLLOKOSA-N 2 2 289.448 3.013 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343851484 216946534 /nfs/dbraw/zinc/94/65/34/216946534.db2.gz ZIAAMGAGYIEMNK-IUCAKERBSA-N 2 2 295.374 3.153 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043628 370090005 /nfs/dbraw/zinc/09/00/05/370090005.db2.gz RKMWJKWFUZEFSG-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043628 370090008 /nfs/dbraw/zinc/09/00/08/370090008.db2.gz RKMWJKWFUZEFSG-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043628 370090011 /nfs/dbraw/zinc/09/00/11/370090011.db2.gz RKMWJKWFUZEFSG-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043628 370090015 /nfs/dbraw/zinc/09/00/15/370090015.db2.gz RKMWJKWFUZEFSG-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000093109640 370110601 /nfs/dbraw/zinc/11/06/01/370110601.db2.gz WPYGHGHSUMQWKJ-CABCVRRESA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1nccs1 ZINC000093398463 370122059 /nfs/dbraw/zinc/12/20/59/370122059.db2.gz YGEUMPYBHZIGLF-IHRRRGAJSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928168 370257774 /nfs/dbraw/zinc/25/77/74/370257774.db2.gz MHPDLPBMXYXIIS-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CC[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097929141 370257916 /nfs/dbraw/zinc/25/79/16/370257916.db2.gz REZAXWRGYRWUFU-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[NH+]1CCC(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000110402619 370379891 /nfs/dbraw/zinc/37/98/91/370379891.db2.gz NJDYPLJDOUHALC-UHFFFAOYSA-N 2 2 276.428 3.134 20 0 CGADLP CCC(C)(C)CC[N@@H+]1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512221560 245024970 /nfs/dbraw/zinc/02/49/70/245024970.db2.gz ZBGLZOFGDPNIQF-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512221560 245024972 /nfs/dbraw/zinc/02/49/72/245024972.db2.gz ZBGLZOFGDPNIQF-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000513008840 245059695 /nfs/dbraw/zinc/05/96/95/245059695.db2.gz LDCXIQRVWNNXHN-QSOAKEGCSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000513008840 245059699 /nfs/dbraw/zinc/05/96/99/245059699.db2.gz LDCXIQRVWNNXHN-QSOAKEGCSA-N 2 2 278.827 3.427 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2(C)CC2)[NH+](C)C)cc1 ZINC000118985937 370634141 /nfs/dbraw/zinc/63/41/41/370634141.db2.gz PSFHVKCZJWNCCB-ZBFHGGJFSA-N 2 2 260.425 3.376 20 0 CGADLP c1cn(CC[NH2+][C@H](c2ccccc2)C2CCCC2)c[nH+]1 ZINC000131938033 371140315 /nfs/dbraw/zinc/14/03/15/371140315.db2.gz VJVJEJVVUPMWOO-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)c2ccccc21 ZINC000131956757 371142011 /nfs/dbraw/zinc/14/20/11/371142011.db2.gz LXSDVUVWOSWOJJ-HZPDHXFCSA-N 2 2 256.324 3.060 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131719596 371124948 /nfs/dbraw/zinc/12/49/48/371124948.db2.gz IXKQEUSCRQSXBJ-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131719596 371124952 /nfs/dbraw/zinc/12/49/52/371124952.db2.gz IXKQEUSCRQSXBJ-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522904 371259082 /nfs/dbraw/zinc/25/90/82/371259082.db2.gz ILXXGQMBALJVMA-JHJVBQTASA-N 2 2 295.496 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522904 371259086 /nfs/dbraw/zinc/25/90/86/371259086.db2.gz ILXXGQMBALJVMA-JHJVBQTASA-N 2 2 295.496 3.259 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000133644226 371269006 /nfs/dbraw/zinc/26/90/06/371269006.db2.gz PCUZAGHYQHKCPO-NXHRZFHOSA-N 2 2 290.451 3.130 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135507882 371431820 /nfs/dbraw/zinc/43/18/20/371431820.db2.gz WXYXXSFCSAGWCV-FUNVUKJBSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135507882 371431824 /nfs/dbraw/zinc/43/18/24/371431824.db2.gz WXYXXSFCSAGWCV-FUNVUKJBSA-N 2 2 282.790 3.194 20 0 CGADLP c1cc2cc(OC3CC[NH+](C4CC4)CC3)ccc2c[nH+]1 ZINC000140427102 371509445 /nfs/dbraw/zinc/50/94/45/371509445.db2.gz MMQIBGMBNYSBHM-UHFFFAOYSA-N 2 2 268.360 3.240 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000151112483 371569377 /nfs/dbraw/zinc/56/93/77/371569377.db2.gz IMQCXFHTUOMDTG-CXAGYDPISA-N 2 2 287.382 3.326 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000220267605 376207919 /nfs/dbraw/zinc/20/79/19/376207919.db2.gz ZRRPURADYLQFRF-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000151542853 371611385 /nfs/dbraw/zinc/61/13/85/371611385.db2.gz KKWMBYGHHFYKFS-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287266554 371631730 /nfs/dbraw/zinc/63/17/30/371631730.db2.gz HLVYPIAAWBVKCV-UHFFFAOYSA-N 2 2 275.783 3.251 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287266554 371631734 /nfs/dbraw/zinc/63/17/34/371631734.db2.gz HLVYPIAAWBVKCV-UHFFFAOYSA-N 2 2 275.783 3.251 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805261 371636422 /nfs/dbraw/zinc/63/64/22/371636422.db2.gz FXNSRCKHSSOOGK-AXAPSJFSSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805261 371636427 /nfs/dbraw/zinc/63/64/27/371636427.db2.gz FXNSRCKHSSOOGK-AXAPSJFSSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000421823660 371645614 /nfs/dbraw/zinc/64/56/14/371645614.db2.gz DOXUYXBTVSTACB-FZMZJTMJSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000421823660 371645620 /nfs/dbraw/zinc/64/56/20/371645620.db2.gz DOXUYXBTVSTACB-FZMZJTMJSA-N 2 2 284.806 3.094 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421857271 371679539 /nfs/dbraw/zinc/67/95/39/371679539.db2.gz OYAOWTIKNOGTTA-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421857271 371679544 /nfs/dbraw/zinc/67/95/44/371679544.db2.gz OYAOWTIKNOGTTA-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000289238093 371752200 /nfs/dbraw/zinc/75/22/00/371752200.db2.gz ZFZMHCQVQIBEEC-OAHLLOKOSA-N 2 2 269.392 3.201 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2cccc2[C@H]1C ZINC000289238093 371752207 /nfs/dbraw/zinc/75/22/07/371752207.db2.gz ZFZMHCQVQIBEEC-OAHLLOKOSA-N 2 2 269.392 3.201 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422706038 371759865 /nfs/dbraw/zinc/75/98/65/371759865.db2.gz SRICFYJDSJWGLU-HZPDHXFCSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccoc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000289675930 371789573 /nfs/dbraw/zinc/78/95/73/371789573.db2.gz DRJMAXWTWCVTQF-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1ccoc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000289675930 371789580 /nfs/dbraw/zinc/78/95/80/371789580.db2.gz DRJMAXWTWCVTQF-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1ccoc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289675930 371789586 /nfs/dbraw/zinc/78/95/86/371789586.db2.gz DRJMAXWTWCVTQF-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1ccoc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289675930 371789594 /nfs/dbraw/zinc/78/95/94/371789594.db2.gz DRJMAXWTWCVTQF-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000344036921 217023509 /nfs/dbraw/zinc/02/35/09/217023509.db2.gz VTNWQWQTVYKPTE-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP CC[C@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000337381320 214041532 /nfs/dbraw/zinc/04/15/32/214041532.db2.gz DEBLORWJTXQVDB-RDJZCZTQSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422839848 371835322 /nfs/dbraw/zinc/83/53/22/371835322.db2.gz ROOLCHDUXPUFFB-UDVXPWBQSA-N 2 2 276.399 3.179 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154581569 371857099 /nfs/dbraw/zinc/85/70/99/371857099.db2.gz PUXDMRLWXQZRPG-IRXDYDNUSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154581569 371857107 /nfs/dbraw/zinc/85/71/07/371857107.db2.gz PUXDMRLWXQZRPG-IRXDYDNUSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422938105 371881691 /nfs/dbraw/zinc/88/16/91/371881691.db2.gz PJLFPZYEXQCYRZ-CVEARBPZSA-N 2 2 276.424 3.081 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000422844273 371837416 /nfs/dbraw/zinc/83/74/16/371837416.db2.gz LJFAHCGHNKCASM-UGFHNGPFSA-N 2 2 294.439 3.483 20 0 CGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422859410 371842403 /nfs/dbraw/zinc/84/24/03/371842403.db2.gz KBKUXDNDTGGFFY-ZBFHGGJFSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344102043 217049269 /nfs/dbraw/zinc/04/92/69/217049269.db2.gz DWOWNCRHFONIFD-UGSOOPFHSA-N 2 2 298.430 3.356 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344102043 217049272 /nfs/dbraw/zinc/04/92/72/217049272.db2.gz DWOWNCRHFONIFD-UGSOOPFHSA-N 2 2 298.430 3.356 20 0 CGADLP [NH3+]CC1CCC(Nc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000422952823 371888926 /nfs/dbraw/zinc/88/89/26/371888926.db2.gz DKZQTBNOLYYACB-UHFFFAOYSA-N 2 2 288.439 3.001 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3O)c2ccccc21 ZINC000422981447 371901386 /nfs/dbraw/zinc/90/13/86/371901386.db2.gz SWAHKJJCBWPHNA-IKGGRYGDSA-N 2 2 280.371 3.114 20 0 CGADLP CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423006149 371911902 /nfs/dbraw/zinc/91/19/02/371911902.db2.gz UGNPSKONMFTXCZ-GJZGRUSLSA-N 2 2 278.465 3.126 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccn2)c1 ZINC000423027273 371923148 /nfs/dbraw/zinc/92/31/48/371923148.db2.gz RHEAPDXCSXIJCS-AEFFLSMTSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000290346396 371967842 /nfs/dbraw/zinc/96/78/42/371967842.db2.gz LPHWDHIPRCPJLD-IRXDYDNUSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423080414 371952921 /nfs/dbraw/zinc/95/29/21/371952921.db2.gz SLFKAESNEULVKA-SUMWQHHRSA-N 2 2 258.409 3.184 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423089580 371956435 /nfs/dbraw/zinc/95/64/35/371956435.db2.gz VMWDDWRZRGYWTC-ZIAGYGMSSA-N 2 2 288.769 3.368 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccoc1 ZINC000423194840 372019002 /nfs/dbraw/zinc/01/90/02/372019002.db2.gz RUCONBITJYHRRZ-LSDHHAIUSA-N 2 2 250.386 3.099 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccoc1 ZINC000423194839 372019581 /nfs/dbraw/zinc/01/95/81/372019581.db2.gz RUCONBITJYHRRZ-HUUCEWRRSA-N 2 2 250.386 3.099 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423197516 372022113 /nfs/dbraw/zinc/02/21/13/372022113.db2.gz ZRFSPNIJYQDPMT-RDTXWAMCSA-N 2 2 281.403 3.151 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423201931 372026168 /nfs/dbraw/zinc/02/61/68/372026168.db2.gz JRDDKYPWYQMFOI-OLZOCXBDSA-N 2 2 284.856 3.162 20 0 CGADLP CC(C)(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423212793 372033874 /nfs/dbraw/zinc/03/38/74/372033874.db2.gz KABXQMSFZUKCHK-BBRMVZONSA-N 2 2 272.392 3.472 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423218625 372037878 /nfs/dbraw/zinc/03/78/78/372037878.db2.gz SCXUDRRZPCXWLQ-SCLBCKFNSA-N 2 2 281.403 3.025 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423222827 372040491 /nfs/dbraw/zinc/04/04/91/372040491.db2.gz CWAVMDZKYCUGAT-AWEZNQCLSA-N 2 2 270.376 3.349 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423222596 372040555 /nfs/dbraw/zinc/04/05/55/372040555.db2.gz BTGOAROXCZPYBC-SNVBAGLBSA-N 2 2 293.411 3.128 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423236341 372042382 /nfs/dbraw/zinc/04/23/82/372042382.db2.gz ODQAFHQCMJGIPK-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000423410401 372061901 /nfs/dbraw/zinc/06/19/01/372061901.db2.gz ADQWGOPTQVDRLM-GUYCJALGSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423342932 372054261 /nfs/dbraw/zinc/05/42/61/372054261.db2.gz ZNQKYROPSGCZTJ-LDYMZIIASA-N 2 2 289.206 3.144 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423356566 372056048 /nfs/dbraw/zinc/05/60/48/372056048.db2.gz GVNBTTODHUISFX-WHOFXGATSA-N 2 2 272.392 3.390 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000423180676 372008446 /nfs/dbraw/zinc/00/84/46/372008446.db2.gz IIPUJWJHLSKXQB-LLVKDONJSA-N 2 2 254.333 3.195 20 0 CGADLP CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000291065430 372107664 /nfs/dbraw/zinc/10/76/64/372107664.db2.gz AOBVPFNKAXAYFX-KSSFIOAISA-N 2 2 299.418 3.338 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)c2c1 ZINC000423451445 372065386 /nfs/dbraw/zinc/06/53/86/372065386.db2.gz VBTUZJPEJFDHOU-UTUOFQBUSA-N 2 2 276.380 3.136 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423507900 372070164 /nfs/dbraw/zinc/07/01/64/372070164.db2.gz IRUXBAZGFRQHDL-CZUORRHYSA-N 2 2 276.424 3.253 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423548119 372072196 /nfs/dbraw/zinc/07/21/96/372072196.db2.gz GQTSRFBVNUXYKE-IIAWOOMASA-N 2 2 258.409 3.275 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656525 372077557 /nfs/dbraw/zinc/07/75/57/372077557.db2.gz PNWNURRQAJKFFN-XHSDSOJGSA-N 2 2 275.440 3.100 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656525 372077562 /nfs/dbraw/zinc/07/75/62/372077562.db2.gz PNWNURRQAJKFFN-XHSDSOJGSA-N 2 2 275.440 3.100 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccn1 ZINC000158976090 372095333 /nfs/dbraw/zinc/09/53/33/372095333.db2.gz QORUKONNELUBNQ-CQSZACIVSA-N 2 2 270.380 3.020 20 0 CGADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000428122488 372180658 /nfs/dbraw/zinc/18/06/58/372180658.db2.gz BHQDQRSYUDBINF-UHFFFAOYSA-N 2 2 272.739 3.248 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040672283 541868564 /nfs/dbraw/zinc/86/85/64/541868564.db2.gz IQCKNDMJRCQDLJ-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040672283 541868567 /nfs/dbraw/zinc/86/85/67/541868567.db2.gz IQCKNDMJRCQDLJ-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000160153127 372217862 /nfs/dbraw/zinc/21/78/62/372217862.db2.gz WNRPDGANPFNMFB-ZDUSSCGKSA-N 2 2 250.386 3.051 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223643 372184217 /nfs/dbraw/zinc/18/42/17/372184217.db2.gz VFOSXKCKARLOAK-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223643 372184224 /nfs/dbraw/zinc/18/42/24/372184224.db2.gz VFOSXKCKARLOAK-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223643 372184235 /nfs/dbraw/zinc/18/42/35/372184235.db2.gz VFOSXKCKARLOAK-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223643 372184245 /nfs/dbraw/zinc/18/42/45/372184245.db2.gz VFOSXKCKARLOAK-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401447 372191265 /nfs/dbraw/zinc/19/12/65/372191265.db2.gz MYXYQPSZHXXGKV-HIFRSBDPSA-N 2 2 293.455 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401447 372191269 /nfs/dbraw/zinc/19/12/69/372191269.db2.gz MYXYQPSZHXXGKV-HIFRSBDPSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401447 372191275 /nfs/dbraw/zinc/19/12/75/372191275.db2.gz MYXYQPSZHXXGKV-HIFRSBDPSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401447 372191283 /nfs/dbraw/zinc/19/12/83/372191283.db2.gz MYXYQPSZHXXGKV-HIFRSBDPSA-N 2 2 293.455 3.269 20 0 CGADLP Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)nc(C(C)C)[nH+]1 ZINC000428678491 372249044 /nfs/dbraw/zinc/24/90/44/372249044.db2.gz HNBDZOXNYHBFIJ-UHFFFAOYSA-N 2 2 299.422 3.078 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161141229 372304385 /nfs/dbraw/zinc/30/43/85/372304385.db2.gz WHEMSNBYFRXMHL-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161141229 372304393 /nfs/dbraw/zinc/30/43/93/372304393.db2.gz WHEMSNBYFRXMHL-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430953347 372409608 /nfs/dbraw/zinc/40/96/08/372409608.db2.gz GUWFYJCEXYTZLA-NZVBXONLSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430953347 372409617 /nfs/dbraw/zinc/40/96/17/372409617.db2.gz GUWFYJCEXYTZLA-NZVBXONLSA-N 2 2 268.351 3.085 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293665340 372442882 /nfs/dbraw/zinc/44/28/82/372442882.db2.gz UHITZAHXGVAWNI-KSSFIOAISA-N 2 2 299.418 3.126 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293665340 372442888 /nfs/dbraw/zinc/44/28/88/372442888.db2.gz UHITZAHXGVAWNI-KSSFIOAISA-N 2 2 299.418 3.126 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000294106299 372582960 /nfs/dbraw/zinc/58/29/60/372582960.db2.gz CLSMKFAHDRLXKQ-ZFWWWQNUSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@H+]1Cc1ccccc1 ZINC000294106299 372582965 /nfs/dbraw/zinc/58/29/65/372582965.db2.gz CLSMKFAHDRLXKQ-ZFWWWQNUSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000434776884 372710384 /nfs/dbraw/zinc/71/03/84/372710384.db2.gz OJQVRIDNXKYCDI-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000434776884 372710389 /nfs/dbraw/zinc/71/03/89/372710389.db2.gz OJQVRIDNXKYCDI-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434791461 372711409 /nfs/dbraw/zinc/71/14/09/372711409.db2.gz CXOARUIHVWSPDW-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434791461 372711417 /nfs/dbraw/zinc/71/14/17/372711417.db2.gz CXOARUIHVWSPDW-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229212 372740957 /nfs/dbraw/zinc/74/09/57/372740957.db2.gz FOFIARNYRUVWNM-KRWDZBQOSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229212 372740961 /nfs/dbraw/zinc/74/09/61/372740961.db2.gz FOFIARNYRUVWNM-KRWDZBQOSA-N 2 2 266.388 3.166 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000171416392 372754188 /nfs/dbraw/zinc/75/41/88/372754188.db2.gz YPATYPBXWCWMBJ-LLVKDONJSA-N 2 2 261.394 3.373 20 0 CGADLP CCCCc1nc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435623768 372787053 /nfs/dbraw/zinc/78/70/53/372787053.db2.gz DHKFKIZBNDPSRW-OAHLLOKOSA-N 2 2 295.496 3.450 20 0 CGADLP CCCCc1nc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435623768 372787061 /nfs/dbraw/zinc/78/70/61/372787061.db2.gz DHKFKIZBNDPSRW-OAHLLOKOSA-N 2 2 295.496 3.450 20 0 CGADLP Cc1occc1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353452310 220090345 /nfs/dbraw/zinc/09/03/45/220090345.db2.gz YQSVMSZGSOSTMX-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1occc1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353452310 220090347 /nfs/dbraw/zinc/09/03/47/220090347.db2.gz YQSVMSZGSOSTMX-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295781626 372910026 /nfs/dbraw/zinc/91/00/26/372910026.db2.gz UGBMURJIEKIBFS-UHFFFAOYSA-N 2 2 293.773 3.042 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295781626 372910031 /nfs/dbraw/zinc/91/00/31/372910031.db2.gz UGBMURJIEKIBFS-UHFFFAOYSA-N 2 2 293.773 3.042 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000438197791 372910653 /nfs/dbraw/zinc/91/06/53/372910653.db2.gz BWWLORVOERWWGV-YOEHRIQHSA-N 2 2 280.431 3.495 20 0 CGADLP FCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353514503 220129355 /nfs/dbraw/zinc/12/93/55/220129355.db2.gz HDOJSGPSRIMBIH-WBVHZDCISA-N 2 2 287.382 3.490 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC000296056921 373007588 /nfs/dbraw/zinc/00/75/88/373007588.db2.gz VPMIQXGNVPAWQN-WODVXLOZSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC000296056921 373007596 /nfs/dbraw/zinc/00/75/96/373007596.db2.gz VPMIQXGNVPAWQN-WODVXLOZSA-N 2 2 280.362 3.241 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000344780994 217308474 /nfs/dbraw/zinc/30/84/74/217308474.db2.gz ZSNKIHBLRWASCN-ZFWWWQNUSA-N 2 2 278.465 3.147 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C)cc2SC)[C@@H](C)C1 ZINC000344780994 217308475 /nfs/dbraw/zinc/30/84/75/217308475.db2.gz ZSNKIHBLRWASCN-ZFWWWQNUSA-N 2 2 278.465 3.147 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000296189332 373048788 /nfs/dbraw/zinc/04/87/88/373048788.db2.gz YLMVHMCITJMHMR-YDHLFZDLSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298415955 373321596 /nfs/dbraw/zinc/32/15/96/373321596.db2.gz MJWFAFIYKSHTCP-UHFFFAOYSA-N 2 2 284.403 3.458 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298909078 373433527 /nfs/dbraw/zinc/43/35/27/373433527.db2.gz NAANCYYQHQZNLK-RHSMWYFYSA-N 2 2 299.418 3.481 20 0 CGADLP CCCC[N@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000353626214 220202994 /nfs/dbraw/zinc/20/29/94/220202994.db2.gz QENJYRZYNYCRSQ-UHFFFAOYSA-N 2 2 264.413 3.071 20 0 CGADLP CCCC[N@@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000353626214 220202998 /nfs/dbraw/zinc/20/29/98/220202998.db2.gz QENJYRZYNYCRSQ-UHFFFAOYSA-N 2 2 264.413 3.071 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300411813 373628821 /nfs/dbraw/zinc/62/88/21/373628821.db2.gz QHNGOFAENLQMCH-UMVBOHGHSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300411813 373628828 /nfs/dbraw/zinc/62/88/28/373628828.db2.gz QHNGOFAENLQMCH-UMVBOHGHSA-N 2 2 252.446 3.274 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000300411257 373629066 /nfs/dbraw/zinc/62/90/66/373629066.db2.gz MEWIDTPUZJJXDT-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000300411257 373629075 /nfs/dbraw/zinc/62/90/75/373629075.db2.gz MEWIDTPUZJJXDT-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CO[C@H](C)C[N@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000353647055 220222744 /nfs/dbraw/zinc/22/27/44/220222744.db2.gz FKISDHWXGYJJKP-OAHLLOKOSA-N 2 2 264.413 3.068 20 0 CGADLP CO[C@H](C)C[N@@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000353647055 220222750 /nfs/dbraw/zinc/22/27/50/220222750.db2.gz FKISDHWXGYJJKP-OAHLLOKOSA-N 2 2 264.413 3.068 20 0 CGADLP Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301087451 373654671 /nfs/dbraw/zinc/65/46/71/373654671.db2.gz JLEZUFHTBIIYFN-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301087451 373654674 /nfs/dbraw/zinc/65/46/74/373654674.db2.gz JLEZUFHTBIIYFN-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP c1csc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000299742446 373609565 /nfs/dbraw/zinc/60/95/65/373609565.db2.gz JFMXBXRRGAENTD-ZDUSSCGKSA-N 2 2 287.432 3.270 20 0 CGADLP c1csc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000299742446 373609577 /nfs/dbraw/zinc/60/95/77/373609577.db2.gz JFMXBXRRGAENTD-ZDUSSCGKSA-N 2 2 287.432 3.270 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](OCC(C)C)C2)c[nH+]1 ZINC000353652062 220227882 /nfs/dbraw/zinc/22/78/82/220227882.db2.gz RCJDPMYEGATJGT-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](OCC(C)C)C2)c[nH+]1 ZINC000353652062 220227885 /nfs/dbraw/zinc/22/78/85/220227885.db2.gz RCJDPMYEGATJGT-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177906355 373724142 /nfs/dbraw/zinc/72/41/42/373724142.db2.gz VORFRQJNGXZEKL-UONOGXRCSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177906355 373724155 /nfs/dbraw/zinc/72/41/55/373724155.db2.gz VORFRQJNGXZEKL-UONOGXRCSA-N 2 2 255.365 3.103 20 0 CGADLP CC[N@@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301546700 373784500 /nfs/dbraw/zinc/78/45/00/373784500.db2.gz UEVCLUXUKFZBAX-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP CC[N@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301546700 373784509 /nfs/dbraw/zinc/78/45/09/373784509.db2.gz UEVCLUXUKFZBAX-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000301654585 373795958 /nfs/dbraw/zinc/79/59/58/373795958.db2.gz URWLQRNMWRMWIR-OAHLLOKOSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449499730 373797002 /nfs/dbraw/zinc/79/70/02/373797002.db2.gz UFCCQGICWRBIAX-SJLPKXTDSA-N 2 2 290.451 3.363 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640378 373800490 /nfs/dbraw/zinc/80/04/90/373800490.db2.gz FTZUESBHJFKJDF-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640378 373800495 /nfs/dbraw/zinc/80/04/95/373800495.db2.gz FTZUESBHJFKJDF-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640378 373800508 /nfs/dbraw/zinc/80/05/08/373800508.db2.gz FTZUESBHJFKJDF-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640378 373800515 /nfs/dbraw/zinc/80/05/15/373800515.db2.gz FTZUESBHJFKJDF-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP CC[N@H+](C)[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302762085 373954684 /nfs/dbraw/zinc/95/46/84/373954684.db2.gz KLDSELPVWGHIDY-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@@H+](C)[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302762085 373954691 /nfs/dbraw/zinc/95/46/91/373954691.db2.gz KLDSELPVWGHIDY-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC000180832020 374051129 /nfs/dbraw/zinc/05/11/29/374051129.db2.gz REPICFOREZOALR-LBPRGKRZSA-N 2 2 277.799 3.271 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305124734 374071644 /nfs/dbraw/zinc/07/16/44/374071644.db2.gz HZIIACKAFHSBGJ-RLFYNMQTSA-N 2 2 299.418 3.074 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000181672773 374153616 /nfs/dbraw/zinc/15/36/16/374153616.db2.gz KREBHLNXMKENDS-CABCVRRESA-N 2 2 291.439 3.067 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCCC1(F)F ZINC000450480624 374154992 /nfs/dbraw/zinc/15/49/92/374154992.db2.gz UVTCTXPGJSCZCP-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCCC1(F)F ZINC000450480624 374155001 /nfs/dbraw/zinc/15/50/01/374155001.db2.gz UVTCTXPGJSCZCP-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCCC1(F)F ZINC000450480624 374155007 /nfs/dbraw/zinc/15/50/07/374155007.db2.gz UVTCTXPGJSCZCP-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCCC1(F)F ZINC000450480624 374155013 /nfs/dbraw/zinc/15/50/13/374155013.db2.gz UVTCTXPGJSCZCP-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000353680324 220253863 /nfs/dbraw/zinc/25/38/63/220253863.db2.gz SUFJONCXRWZROY-QLFBSQMISA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000353680324 220253865 /nfs/dbraw/zinc/25/38/65/220253865.db2.gz SUFJONCXRWZROY-QLFBSQMISA-N 2 2 291.439 3.287 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1C ZINC000309778167 374197812 /nfs/dbraw/zinc/19/78/12/374197812.db2.gz CXWRZKRVTKQWEZ-INMHGKMJSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1C ZINC000309778167 374197820 /nfs/dbraw/zinc/19/78/20/374197820.db2.gz CXWRZKRVTKQWEZ-INMHGKMJSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(F)c1F ZINC000181979736 374200930 /nfs/dbraw/zinc/20/09/30/374200930.db2.gz KNMVEDPYNHOZEZ-LBPRGKRZSA-N 2 2 268.351 3.101 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309862432 374201934 /nfs/dbraw/zinc/20/19/34/374201934.db2.gz DNBTWZJISDPWLS-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309862432 374201939 /nfs/dbraw/zinc/20/19/39/374201939.db2.gz DNBTWZJISDPWLS-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309726636 374191953 /nfs/dbraw/zinc/19/19/53/374191953.db2.gz NTQHUZCGSRVHCP-SRABZTEZSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309726636 374191957 /nfs/dbraw/zinc/19/19/57/374191957.db2.gz NTQHUZCGSRVHCP-SRABZTEZSA-N 2 2 258.409 3.038 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000312636017 374287064 /nfs/dbraw/zinc/28/70/64/374287064.db2.gz COLIISMLZRNKMQ-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182614200 374297763 /nfs/dbraw/zinc/29/77/63/374297763.db2.gz UJSZOGFSVPYRSH-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182614200 374297769 /nfs/dbraw/zinc/29/77/69/374297769.db2.gz UJSZOGFSVPYRSH-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2nccs2)CC1 ZINC000080264202 541922626 /nfs/dbraw/zinc/92/26/26/541922626.db2.gz ZINRBAMMYWDZIS-ZDUSSCGKSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000081144495 541925465 /nfs/dbraw/zinc/92/54/65/541925465.db2.gz LNQBJVXNDJIRBY-KRWDZBQOSA-N 2 2 271.408 3.274 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000328512575 374365514 /nfs/dbraw/zinc/36/55/14/374365514.db2.gz OGYXTFCZEUMRGR-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000328512575 374365526 /nfs/dbraw/zinc/36/55/26/374365526.db2.gz OGYXTFCZEUMRGR-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453206444 374368454 /nfs/dbraw/zinc/36/84/54/374368454.db2.gz VJHKQSUAEQFUSA-QWHCGFSZSA-N 2 2 261.394 3.000 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2cccc(C)[nH+]2)c1C ZINC000184562068 374540061 /nfs/dbraw/zinc/54/00/61/374540061.db2.gz XVQYUMJERQOTNW-UHFFFAOYSA-N 2 2 271.364 3.047 20 0 CGADLP CC/C=C/CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184699814 374552669 /nfs/dbraw/zinc/55/26/69/374552669.db2.gz SAMQDIBHDBSDRZ-RGDDUWESSA-N 2 2 261.413 3.031 20 0 CGADLP CC/C=C/CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184699814 374552674 /nfs/dbraw/zinc/55/26/74/374552674.db2.gz SAMQDIBHDBSDRZ-RGDDUWESSA-N 2 2 261.413 3.031 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732842 374554456 /nfs/dbraw/zinc/55/44/56/374554456.db2.gz XGMXYINTKDARRC-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732842 374554463 /nfs/dbraw/zinc/55/44/63/374554463.db2.gz XGMXYINTKDARRC-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334215569 206203879 /nfs/dbraw/zinc/20/38/79/206203879.db2.gz UHOHNPOJUSRJKI-CYBMUJFWSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334215569 206203882 /nfs/dbraw/zinc/20/38/82/206203882.db2.gz UHOHNPOJUSRJKI-CYBMUJFWSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)oc1C ZINC000185723974 374724613 /nfs/dbraw/zinc/72/46/13/374724613.db2.gz LOKFNCHFEYUDMQ-HIFRSBDPSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)oc1C ZINC000185723974 374724617 /nfs/dbraw/zinc/72/46/17/374724617.db2.gz LOKFNCHFEYUDMQ-HIFRSBDPSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186319655 374831544 /nfs/dbraw/zinc/83/15/44/374831544.db2.gz XRGGNFNCRGNDBD-BMFZPTHFSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000186045755 374787768 /nfs/dbraw/zinc/78/77/68/374787768.db2.gz JABHGVSKVPVHBM-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000186045755 374787773 /nfs/dbraw/zinc/78/77/73/374787773.db2.gz JABHGVSKVPVHBM-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccsc1 ZINC000187778659 375093382 /nfs/dbraw/zinc/09/33/82/375093382.db2.gz REBJQZYXFUIMAE-AWEZNQCLSA-N 2 2 277.437 3.288 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)Cc1ccsc1 ZINC000187778659 375093390 /nfs/dbraw/zinc/09/33/90/375093390.db2.gz REBJQZYXFUIMAE-AWEZNQCLSA-N 2 2 277.437 3.288 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000187655174 375063847 /nfs/dbraw/zinc/06/38/47/375063847.db2.gz XWQXPLBUMDMKCO-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP CC[NH+](CC)CCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188035261 375144758 /nfs/dbraw/zinc/14/47/58/375144758.db2.gz ZPJCIEAICMUKEB-UHFFFAOYSA-N 2 2 289.448 3.447 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591793 296227507 /nfs/dbraw/zinc/22/75/07/296227507.db2.gz YAAVHUSDSXEZOP-HZMBPMFUSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591793 296227510 /nfs/dbraw/zinc/22/75/10/296227510.db2.gz YAAVHUSDSXEZOP-HZMBPMFUSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198758 296227589 /nfs/dbraw/zinc/22/75/89/296227589.db2.gz ITVFLCGVIWWRIF-NWDGAFQWSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198758 296227590 /nfs/dbraw/zinc/22/75/90/296227590.db2.gz ITVFLCGVIWWRIF-NWDGAFQWSA-N 2 2 284.806 3.424 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000487320585 375228887 /nfs/dbraw/zinc/22/88/87/375228887.db2.gz PPCWHGQDHDOCGQ-OCCSQVGLSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000487320585 375228890 /nfs/dbraw/zinc/22/88/90/375228890.db2.gz PPCWHGQDHDOCGQ-OCCSQVGLSA-N 2 2 296.842 3.311 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCC23CCCC3)[nH+]c1 ZINC000189146800 375331702 /nfs/dbraw/zinc/33/17/02/375331702.db2.gz CXWNYVMQXQOWKD-AWEZNQCLSA-N 2 2 259.397 3.196 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)[nH+]1 ZINC000335753387 375400450 /nfs/dbraw/zinc/40/04/50/375400450.db2.gz GIZJVJHXZFLFBN-HNNXBMFYSA-N 2 2 289.423 3.081 20 0 CGADLP C/C=C(/C=C/C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CC ZINC000492170502 375436507 /nfs/dbraw/zinc/43/65/07/375436507.db2.gz PKHFCRBDLLSGFF-KECGNFQDSA-N 2 2 282.347 3.118 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)Cn1cc[nH+]c1 ZINC000190894445 375547411 /nfs/dbraw/zinc/54/74/11/375547411.db2.gz NLBDLEPGADNKQI-OAHLLOKOSA-N 2 2 299.418 3.098 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078211 375573631 /nfs/dbraw/zinc/57/36/31/375573631.db2.gz KFOKMKDPRHJTIP-KEYYUXOJSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1cccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)[nH+]1 ZINC000507080634 375670650 /nfs/dbraw/zinc/67/06/50/375670650.db2.gz CFEBJMRFBVOFQE-POHAHGRESA-N 2 2 293.414 3.225 20 0 CGADLP CC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192098817 375698028 /nfs/dbraw/zinc/69/80/28/375698028.db2.gz IDBXLYVOXKBFJI-AWEZNQCLSA-N 2 2 257.381 3.411 20 0 CGADLP CC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192098817 375698036 /nfs/dbraw/zinc/69/80/36/375698036.db2.gz IDBXLYVOXKBFJI-AWEZNQCLSA-N 2 2 257.381 3.411 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993681 542054261 /nfs/dbraw/zinc/05/42/61/542054261.db2.gz MMVSAQILCBHWIB-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993681 542054265 /nfs/dbraw/zinc/05/42/65/542054265.db2.gz MMVSAQILCBHWIB-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(F)c(F)cc2F)CC1 ZINC000336537456 375815843 /nfs/dbraw/zinc/81/58/43/375815843.db2.gz NENJAKZUJAUUPX-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(F)c(F)cc2F)CC1 ZINC000336537456 375815850 /nfs/dbraw/zinc/81/58/50/375815850.db2.gz NENJAKZUJAUUPX-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000129734022 542058338 /nfs/dbraw/zinc/05/83/38/542058338.db2.gz XPPFEAUENPWVHF-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3ccc(F)cc32)CC1 ZINC000336613861 375875525 /nfs/dbraw/zinc/87/55/25/375875525.db2.gz GHEXPPASVTWGTE-OAHLLOKOSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532455287 375952491 /nfs/dbraw/zinc/95/24/91/375952491.db2.gz VOTONKCWSIDDAE-YESZJQIVSA-N 2 2 282.472 3.210 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532455287 375952496 /nfs/dbraw/zinc/95/24/96/375952496.db2.gz VOTONKCWSIDDAE-YESZJQIVSA-N 2 2 282.472 3.210 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534348572 375980595 /nfs/dbraw/zinc/98/05/95/375980595.db2.gz FLJIVWUSDJVXPZ-JSGCOSHPSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534348572 375980601 /nfs/dbraw/zinc/98/06/01/375980601.db2.gz FLJIVWUSDJVXPZ-JSGCOSHPSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994310 376155469 /nfs/dbraw/zinc/15/54/69/376155469.db2.gz UAZIAHCOOIQLJT-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994310 376155472 /nfs/dbraw/zinc/15/54/72/376155472.db2.gz UAZIAHCOOIQLJT-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000538089047 376220928 /nfs/dbraw/zinc/22/09/28/376220928.db2.gz VCUMAXMWNXKZFA-LBPRGKRZSA-N 2 2 273.355 3.128 20 0 CGADLP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000538089047 376220930 /nfs/dbraw/zinc/22/09/30/376220930.db2.gz VCUMAXMWNXKZFA-LBPRGKRZSA-N 2 2 273.355 3.128 20 0 CGADLP CO[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000338254626 376298359 /nfs/dbraw/zinc/29/83/59/376298359.db2.gz XWUYIMRDDYAXSP-INIZCTEOSA-N 2 2 296.842 3.054 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000225358243 376304124 /nfs/dbraw/zinc/30/41/24/376304124.db2.gz DJIHPHSCTBATIJ-ZFWWWQNUSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000225358243 376304126 /nfs/dbraw/zinc/30/41/26/376304126.db2.gz DJIHPHSCTBATIJ-ZFWWWQNUSA-N 2 2 269.392 3.438 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000227674293 376405230 /nfs/dbraw/zinc/40/52/30/376405230.db2.gz LFCCFIUTRNJHDS-MWLCHTKSSA-N 2 2 273.302 3.030 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCSC2)n1-c1ccccc1 ZINC000226383681 376356620 /nfs/dbraw/zinc/35/66/20/376356620.db2.gz MJRNMKAKFHKTLG-CQSZACIVSA-N 2 2 287.432 3.023 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604445 376366819 /nfs/dbraw/zinc/36/68/19/376366819.db2.gz IYHISARURGGOSY-XEZPLFJOSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604445 376366822 /nfs/dbraw/zinc/36/68/22/376366822.db2.gz IYHISARURGGOSY-XEZPLFJOSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407969 376512456 /nfs/dbraw/zinc/51/24/56/376512456.db2.gz HNAXEJQOHOLPKF-ZJUUUORDSA-N 2 2 269.801 3.337 20 0 CGADLP c1ccc(NCCC[NH2+]C(C2CCC2)C2CCC2)[nH+]c1 ZINC000338770180 376520932 /nfs/dbraw/zinc/52/09/32/376520932.db2.gz BEKBXGMYELAQTA-UHFFFAOYSA-N 2 2 273.424 3.442 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000234934206 376625255 /nfs/dbraw/zinc/62/52/55/376625255.db2.gz IYOWYYRRVOTOBR-YWPYICTPSA-N 2 2 296.842 3.167 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000234934206 376625258 /nfs/dbraw/zinc/62/52/58/376625258.db2.gz IYOWYYRRVOTOBR-YWPYICTPSA-N 2 2 296.842 3.167 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000339053492 376649380 /nfs/dbraw/zinc/64/93/80/376649380.db2.gz BDMSJFXLRKPYDK-UHFFFAOYSA-N 2 2 296.374 3.014 20 0 CGADLP c1cn(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)c[nH+]1 ZINC000236615284 376671426 /nfs/dbraw/zinc/67/14/26/376671426.db2.gz RFUKGCFDGIWCEO-MRXNPFEDSA-N 2 2 281.403 3.377 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cscn1 ZINC000543755120 376675829 /nfs/dbraw/zinc/67/58/29/376675829.db2.gz PVIAIXNOPJTDQI-IHRRRGAJSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cscn1 ZINC000543755120 376675838 /nfs/dbraw/zinc/67/58/38/376675838.db2.gz PVIAIXNOPJTDQI-IHRRRGAJSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000543995132 376691873 /nfs/dbraw/zinc/69/18/73/376691873.db2.gz UOSAFNWHXJDSMI-BZOOQXSSSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000543995132 376691880 /nfs/dbraw/zinc/69/18/80/376691880.db2.gz UOSAFNWHXJDSMI-BZOOQXSSSA-N 2 2 276.399 3.003 20 0 CGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236857112 376705229 /nfs/dbraw/zinc/70/52/29/376705229.db2.gz VYFHDBASIGTCIW-INIZCTEOSA-N 2 2 299.374 3.330 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695342 542136874 /nfs/dbraw/zinc/13/68/74/542136874.db2.gz OBAWWNHATRSNPG-SJLPKXTDSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695342 542136880 /nfs/dbraw/zinc/13/68/80/542136880.db2.gz OBAWWNHATRSNPG-SJLPKXTDSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000245726276 376893146 /nfs/dbraw/zinc/89/31/46/376893146.db2.gz IUPNONDFRPRXNZ-VYDXJSESSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000245726276 376893149 /nfs/dbraw/zinc/89/31/49/376893149.db2.gz IUPNONDFRPRXNZ-VYDXJSESSA-N 2 2 288.435 3.321 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000558080358 376973918 /nfs/dbraw/zinc/97/39/18/376973918.db2.gz RGXMOMMEIPOPSU-UHFFFAOYSA-N 2 2 278.827 3.403 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340182343 376938270 /nfs/dbraw/zinc/93/82/70/376938270.db2.gz WFOLRCGLZUUAHL-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340182343 376938273 /nfs/dbraw/zinc/93/82/73/376938273.db2.gz WFOLRCGLZUUAHL-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000340196629 376946975 /nfs/dbraw/zinc/94/69/75/376946975.db2.gz FHVQIXMKGDYYBJ-LBPRGKRZSA-N 2 2 289.379 3.058 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000340258516 376969080 /nfs/dbraw/zinc/96/90/80/376969080.db2.gz HTEMPDDXWZVYGV-FVQBIDKESA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000340258516 376969085 /nfs/dbraw/zinc/96/90/85/376969085.db2.gz HTEMPDDXWZVYGV-FVQBIDKESA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505556 377014852 /nfs/dbraw/zinc/01/48/52/377014852.db2.gz JBGJXHDKFMTJLQ-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505556 377014863 /nfs/dbraw/zinc/01/48/63/377014863.db2.gz JBGJXHDKFMTJLQ-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000558219316 376986515 /nfs/dbraw/zinc/98/65/15/376986515.db2.gz ABMDQKDZTKBZRJ-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000558220879 376986658 /nfs/dbraw/zinc/98/66/58/376986658.db2.gz DBOQHRRTFISWGG-ZWQIFLOQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000558220879 376986662 /nfs/dbraw/zinc/98/66/62/376986662.db2.gz DBOQHRRTFISWGG-ZWQIFLOQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340301653 376989944 /nfs/dbraw/zinc/98/99/44/376989944.db2.gz NQKNYLQPOGODOM-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000246925543 377121033 /nfs/dbraw/zinc/12/10/33/377121033.db2.gz GRSPNNZEEZZXEY-AYOQOUSVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000246925543 377121043 /nfs/dbraw/zinc/12/10/43/377121043.db2.gz GRSPNNZEEZZXEY-AYOQOUSVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246689754 377071463 /nfs/dbraw/zinc/07/14/63/377071463.db2.gz BNYLYQHDVCYJND-GJZGRUSLSA-N 2 2 299.418 3.286 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246689754 377071465 /nfs/dbraw/zinc/07/14/65/377071465.db2.gz BNYLYQHDVCYJND-GJZGRUSLSA-N 2 2 299.418 3.286 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCOC2(C)C)[NH+](C)C)cc1 ZINC000559722133 377097360 /nfs/dbraw/zinc/09/73/60/377097360.db2.gz QAJIMODAVQZMLB-DLBZAZTESA-N 2 2 290.451 3.009 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ncccc2F)C[C@H]1c1ccccc1 ZINC000559786008 377098527 /nfs/dbraw/zinc/09/85/27/377098527.db2.gz FMOYVDHCSDNPIH-QAPCUYQASA-N 2 2 299.393 3.146 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ncccc2F)C[C@H]1c1ccccc1 ZINC000559786008 377098530 /nfs/dbraw/zinc/09/85/30/377098530.db2.gz FMOYVDHCSDNPIH-QAPCUYQASA-N 2 2 299.393 3.146 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000559862880 377100945 /nfs/dbraw/zinc/10/09/45/377100945.db2.gz POKYWQYDOXMNOA-ODVANORSSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000559862880 377100947 /nfs/dbraw/zinc/10/09/47/377100947.db2.gz POKYWQYDOXMNOA-ODVANORSSA-N 2 2 288.410 3.287 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000247287779 377190112 /nfs/dbraw/zinc/19/01/12/377190112.db2.gz YYSHIIIRQNIVAJ-AIANPOQGSA-N 2 2 288.435 3.462 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000247287779 377190121 /nfs/dbraw/zinc/19/01/21/377190121.db2.gz YYSHIIIRQNIVAJ-AIANPOQGSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000247287779 377190130 /nfs/dbraw/zinc/19/01/30/377190130.db2.gz YYSHIIIRQNIVAJ-AIANPOQGSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000247287779 377190141 /nfs/dbraw/zinc/19/01/41/377190141.db2.gz YYSHIIIRQNIVAJ-AIANPOQGSA-N 2 2 288.435 3.462 20 0 CGADLP C[C@@H](CC1CCCC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560267960 377137172 /nfs/dbraw/zinc/13/71/72/377137172.db2.gz PFLVWEFYTGZBFC-ZDUSSCGKSA-N 2 2 261.413 3.278 20 0 CGADLP CC[NH+](CC)CCC[N@H+](Cc1ccccc1OC)C1CC1 ZINC000340599691 377166901 /nfs/dbraw/zinc/16/69/01/377166901.db2.gz GTIXFTYONICPAI-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000340599691 377166904 /nfs/dbraw/zinc/16/69/04/377166904.db2.gz GTIXFTYONICPAI-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892562 377197845 /nfs/dbraw/zinc/19/78/45/377197845.db2.gz MKLPMIBJQPSATH-QAPCUYQASA-N 2 2 280.415 3.316 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892562 377197855 /nfs/dbraw/zinc/19/78/55/377197855.db2.gz MKLPMIBJQPSATH-QAPCUYQASA-N 2 2 280.415 3.316 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000340678186 377211872 /nfs/dbraw/zinc/21/18/72/377211872.db2.gz HSRMYARUEIRZKM-RHSMWYFYSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000340678186 377211882 /nfs/dbraw/zinc/21/18/82/377211882.db2.gz HSRMYARUEIRZKM-RHSMWYFYSA-N 2 2 276.424 3.035 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982216 377252674 /nfs/dbraw/zinc/25/26/74/377252674.db2.gz ILXSTSUIUYLRNC-RBOXIYTFSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982216 377252682 /nfs/dbraw/zinc/25/26/82/377252682.db2.gz ILXSTSUIUYLRNC-RBOXIYTFSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000562061546 377272773 /nfs/dbraw/zinc/27/27/73/377272773.db2.gz BSVRYWANZSKDKT-UOVPBQLFSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000562330973 377297331 /nfs/dbraw/zinc/29/73/31/377297331.db2.gz FSXMOFQHFJAZLP-ZIAGYGMSSA-N 2 2 281.469 3.173 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000562756898 377358371 /nfs/dbraw/zinc/35/83/71/377358371.db2.gz KXVAMGXMBODLML-COXVUDFISA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000562756898 377358381 /nfs/dbraw/zinc/35/83/81/377358381.db2.gz KXVAMGXMBODLML-COXVUDFISA-N 2 2 264.457 3.274 20 0 CGADLP CC[NH2+]CCC[NH2+][C@H](C)c1ccccc1Br ZINC000562956395 377378078 /nfs/dbraw/zinc/37/80/78/377378078.db2.gz ZKSZGTZMFJHYAY-LLVKDONJSA-N 2 2 285.229 3.099 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248884422 377421024 /nfs/dbraw/zinc/42/10/24/377421024.db2.gz UEXYGJGEEFUHRD-BHPKHCPMSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248884422 377421025 /nfs/dbraw/zinc/42/10/25/377421025.db2.gz UEXYGJGEEFUHRD-BHPKHCPMSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062596 542170382 /nfs/dbraw/zinc/17/03/82/542170382.db2.gz IYHISARURGGOSY-DVOMOZLQSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062596 542170387 /nfs/dbraw/zinc/17/03/87/542170387.db2.gz IYHISARURGGOSY-DVOMOZLQSA-N 2 2 264.388 3.349 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313278453 249089740 /nfs/dbraw/zinc/08/97/40/249089740.db2.gz BFBCYKFMWJMZGQ-CQSZACIVSA-N 2 2 271.408 3.437 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357857 249126206 /nfs/dbraw/zinc/12/62/06/249126206.db2.gz RGMYOBMGVYTLPF-QGZVFWFLSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357857 249126207 /nfs/dbraw/zinc/12/62/07/249126207.db2.gz RGMYOBMGVYTLPF-QGZVFWFLSA-N 2 2 281.403 3.287 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038817 249131588 /nfs/dbraw/zinc/13/15/88/249131588.db2.gz ZJQPBGXJXSQBQM-IUIKQTSFSA-N 2 2 280.362 3.100 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038817 249131590 /nfs/dbraw/zinc/13/15/90/249131590.db2.gz ZJQPBGXJXSQBQM-IUIKQTSFSA-N 2 2 280.362 3.100 20 0 CGADLP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1c1ccccc1 ZINC000469987879 249164849 /nfs/dbraw/zinc/16/48/49/249164849.db2.gz XOUWPGFYOAQDTF-GOEBONIOSA-N 2 2 260.425 3.239 20 0 CGADLP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1c1ccccc1 ZINC000469987879 249164851 /nfs/dbraw/zinc/16/48/51/249164851.db2.gz XOUWPGFYOAQDTF-GOEBONIOSA-N 2 2 260.425 3.239 20 0 CGADLP CCC[N@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC000470014636 249166304 /nfs/dbraw/zinc/16/63/04/249166304.db2.gz DEBAVFQPJMIMGX-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC000470014636 249166305 /nfs/dbraw/zinc/16/63/05/249166305.db2.gz DEBAVFQPJMIMGX-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]2CC2(C)C)cc1 ZINC000515470176 249213267 /nfs/dbraw/zinc/21/32/67/249213267.db2.gz LOFKQAQMEZZBRQ-COXVUDFISA-N 2 2 290.451 3.322 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000251438209 377582596 /nfs/dbraw/zinc/58/25/96/377582596.db2.gz AFRSEUPLKNTLIB-UBHSHLNASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000251438209 377582603 /nfs/dbraw/zinc/58/26/03/377582603.db2.gz AFRSEUPLKNTLIB-UBHSHLNASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000178307469 542196332 /nfs/dbraw/zinc/19/63/32/542196332.db2.gz ACJSTEPPZGAOQU-OAHLLOKOSA-N 2 2 260.425 3.038 20 0 CGADLP Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)nc(C)[nH+]1 ZINC000574260697 377641406 /nfs/dbraw/zinc/64/14/06/377641406.db2.gz LGZLQFPKAQOXOH-HNNXBMFYSA-N 2 2 298.390 3.222 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)n1C ZINC000574339275 377650335 /nfs/dbraw/zinc/65/03/35/377650335.db2.gz DFGABBHARIMTLP-NSHDSACASA-N 2 2 269.348 3.326 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000252691646 377652158 /nfs/dbraw/zinc/65/21/58/377652158.db2.gz YQGXNXAPIZSTQA-CZUORRHYSA-N 2 2 260.425 3.339 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000252691646 377652164 /nfs/dbraw/zinc/65/21/64/377652164.db2.gz YQGXNXAPIZSTQA-CZUORRHYSA-N 2 2 260.425 3.339 20 0 CGADLP CC1(C)CCC[C@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000574351204 377652479 /nfs/dbraw/zinc/65/24/79/377652479.db2.gz HJJOGYAPTUGZSH-HNNXBMFYSA-N 2 2 298.434 3.377 20 0 CGADLP Cc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342587971 377675569 /nfs/dbraw/zinc/67/55/69/377675569.db2.gz ABHKEFASFLGLEH-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP CCC1CC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000342700485 377743363 /nfs/dbraw/zinc/74/33/63/377743363.db2.gz QYSBMVMQBIYRNP-KSTDHSDQSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000261555805 377816832 /nfs/dbraw/zinc/81/68/32/377816832.db2.gz QAOXHOIQABUQOD-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000261555805 377816834 /nfs/dbraw/zinc/81/68/34/377816834.db2.gz QAOXHOIQABUQOD-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923061 377867882 /nfs/dbraw/zinc/86/78/82/377867882.db2.gz KTMDAIJLHLZZEI-HTQZYQBOSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923061 377867888 /nfs/dbraw/zinc/86/78/88/377867888.db2.gz KTMDAIJLHLZZEI-HTQZYQBOSA-N 2 2 279.236 3.224 20 0 CGADLP CC[N@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000261925505 377868706 /nfs/dbraw/zinc/86/87/06/377868706.db2.gz KYOMLJKPGKTEIG-ZDUSSCGKSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000261925505 377868712 /nfs/dbraw/zinc/86/87/12/377868712.db2.gz KYOMLJKPGKTEIG-ZDUSSCGKSA-N 2 2 295.496 3.405 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261930599 377869584 /nfs/dbraw/zinc/86/95/84/377869584.db2.gz LMYFTCCGXONIOF-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261930599 377869587 /nfs/dbraw/zinc/86/95/87/377869587.db2.gz LMYFTCCGXONIOF-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000261952100 377871870 /nfs/dbraw/zinc/87/18/70/377871870.db2.gz NENMRYIYALPEJP-KDOFPFPSSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000261952100 377871877 /nfs/dbraw/zinc/87/18/77/377871877.db2.gz NENMRYIYALPEJP-KDOFPFPSSA-N 2 2 299.418 3.352 20 0 CGADLP CCC[N@H+](Cc1ncc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000261968447 377873388 /nfs/dbraw/zinc/87/33/88/377873388.db2.gz QBHKFDYJTSIHPT-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[N@@H+](Cc1ncc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000261968447 377873394 /nfs/dbraw/zinc/87/33/94/377873394.db2.gz QBHKFDYJTSIHPT-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[N@H+](Cc1ccc2nc(C)sc2c1)[C@H]1CC[NH2+]C1 ZINC000262045456 377881502 /nfs/dbraw/zinc/88/15/02/377881502.db2.gz YYAZMPZERSCERI-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@@H+](Cc1ccc2nc(C)sc2c1)[C@H]1CC[NH2+]C1 ZINC000262045456 377881505 /nfs/dbraw/zinc/88/15/05/377881505.db2.gz YYAZMPZERSCERI-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262188573 377890279 /nfs/dbraw/zinc/89/02/79/377890279.db2.gz JLIPDMOYUXZRCP-FHLIZLRMSA-N 2 2 266.388 3.174 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262188573 377890285 /nfs/dbraw/zinc/89/02/85/377890285.db2.gz JLIPDMOYUXZRCP-FHLIZLRMSA-N 2 2 266.388 3.174 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000343247846 377938855 /nfs/dbraw/zinc/93/88/55/377938855.db2.gz BDKVTATVELPDOB-ZVZYQTTQSA-N 2 2 272.436 3.036 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000343247846 377938860 /nfs/dbraw/zinc/93/88/60/377938860.db2.gz BDKVTATVELPDOB-ZVZYQTTQSA-N 2 2 272.436 3.036 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000343487625 377993289 /nfs/dbraw/zinc/99/32/89/377993289.db2.gz MEICWVKLQZTCCJ-IKGGRYGDSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000343487625 377993293 /nfs/dbraw/zinc/99/32/93/377993293.db2.gz MEICWVKLQZTCCJ-IKGGRYGDSA-N 2 2 299.462 3.243 20 0 CGADLP c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]c1 ZINC000267506743 378040689 /nfs/dbraw/zinc/04/06/89/378040689.db2.gz HMFOIWDYRCLOIP-MRXNPFEDSA-N 2 2 273.424 3.174 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897766 378128327 /nfs/dbraw/zinc/12/83/27/378128327.db2.gz YUIUFKGBINLSCK-YOEHRIQHSA-N 2 2 290.451 3.041 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897766 378128331 /nfs/dbraw/zinc/12/83/31/378128331.db2.gz YUIUFKGBINLSCK-YOEHRIQHSA-N 2 2 290.451 3.041 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccccc2)no1 ZINC000269185838 378194919 /nfs/dbraw/zinc/19/49/19/378194919.db2.gz LTAMKGMWLLKGQW-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000579887007 378204666 /nfs/dbraw/zinc/20/46/66/378204666.db2.gz KZBIRLPUDODAFX-OLZOCXBDSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000579887007 378204671 /nfs/dbraw/zinc/20/46/71/378204671.db2.gz KZBIRLPUDODAFX-OLZOCXBDSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000579887007 378204678 /nfs/dbraw/zinc/20/46/78/378204678.db2.gz KZBIRLPUDODAFX-OLZOCXBDSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000579887007 378204681 /nfs/dbraw/zinc/20/46/81/378204681.db2.gz KZBIRLPUDODAFX-OLZOCXBDSA-N 2 2 281.469 3.039 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C12CCC2 ZINC000344113813 378159079 /nfs/dbraw/zinc/15/90/79/378159079.db2.gz MTZRKHOIJGHKCU-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](CSC)[N@H+](C)CCc1cc[nH+]cc1C ZINC000580068973 378221257 /nfs/dbraw/zinc/22/12/57/378221257.db2.gz CIFVHKABUSJBIW-AWEZNQCLSA-N 2 2 252.427 3.006 20 0 CGADLP CC[C@@H](CSC)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000580068973 378221261 /nfs/dbraw/zinc/22/12/61/378221261.db2.gz CIFVHKABUSJBIW-AWEZNQCLSA-N 2 2 252.427 3.006 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H](c4[nH+]ccn4C)C3)c2c1 ZINC000579585982 378174529 /nfs/dbraw/zinc/17/45/29/378174529.db2.gz ZNQUNMPTCZZTFD-HNNXBMFYSA-N 2 2 292.386 3.271 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000579657926 378179430 /nfs/dbraw/zinc/17/94/30/378179430.db2.gz PUNGXDMNBJADQG-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000579657926 378179434 /nfs/dbraw/zinc/17/94/34/378179434.db2.gz PUNGXDMNBJADQG-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269828180 378270332 /nfs/dbraw/zinc/27/03/32/378270332.db2.gz KRCJLNLCBNVPJB-HNNXBMFYSA-N 2 2 280.362 3.026 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCC1CCCCC1)CCCC2 ZINC000581444033 378278965 /nfs/dbraw/zinc/27/89/65/378278965.db2.gz AAGYAOUNLZNWCY-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000583302080 378319095 /nfs/dbraw/zinc/31/90/95/378319095.db2.gz KSJJQIJMKOGNFT-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000583302080 378319097 /nfs/dbraw/zinc/31/90/97/378319097.db2.gz KSJJQIJMKOGNFT-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000583522840 378328104 /nfs/dbraw/zinc/32/81/04/378328104.db2.gz ADDJUQJVEXVGEY-KNCOVGOOSA-N 2 2 252.446 3.274 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000583522840 378328106 /nfs/dbraw/zinc/32/81/06/378328106.db2.gz ADDJUQJVEXVGEY-KNCOVGOOSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000270876675 378408482 /nfs/dbraw/zinc/40/84/82/378408482.db2.gz VFBBLVKDXJKGMR-INIZCTEOSA-N 2 2 257.381 3.356 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000270876675 378408488 /nfs/dbraw/zinc/40/84/88/378408488.db2.gz VFBBLVKDXJKGMR-INIZCTEOSA-N 2 2 257.381 3.356 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000270908918 378412513 /nfs/dbraw/zinc/41/25/13/378412513.db2.gz SNHZINJOJVFMKL-YOEHRIQHSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000270908918 378412519 /nfs/dbraw/zinc/41/25/19/378412519.db2.gz SNHZINJOJVFMKL-YOEHRIQHSA-N 2 2 269.392 3.070 20 0 CGADLP CC[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131361 378473852 /nfs/dbraw/zinc/47/38/52/378473852.db2.gz JPHRIIXVBDSWOX-GFCCVEGCSA-N 2 2 261.394 3.308 20 0 CGADLP CC[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131361 378473860 /nfs/dbraw/zinc/47/38/60/378473860.db2.gz JPHRIIXVBDSWOX-GFCCVEGCSA-N 2 2 261.394 3.308 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(CCC(C)C)CC1 ZINC000346270069 378527347 /nfs/dbraw/zinc/52/73/47/378527347.db2.gz CATJPSAQKCIYEL-UHFFFAOYSA-N 2 2 263.429 3.340 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000346197841 378500144 /nfs/dbraw/zinc/50/01/44/378500144.db2.gz JTOWOACBXZJDFI-ZFWWWQNUSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346348105 378552557 /nfs/dbraw/zinc/55/25/57/378552557.db2.gz IPLARWLBEGXUOD-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346348105 378552564 /nfs/dbraw/zinc/55/25/64/378552564.db2.gz IPLARWLBEGXUOD-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000266151015 190234954 /nfs/dbraw/zinc/23/49/54/190234954.db2.gz TXMLDIXJJAHMLH-INIZCTEOSA-N 2 2 282.391 3.034 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346572586 378628389 /nfs/dbraw/zinc/62/83/89/378628389.db2.gz AUWBHDWPKVHTDP-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346572586 378628395 /nfs/dbraw/zinc/62/83/95/378628395.db2.gz AUWBHDWPKVHTDP-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272279066 378602733 /nfs/dbraw/zinc/60/27/33/378602733.db2.gz MMZUVFYDOFMPHB-CABCVRRESA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653671 378663012 /nfs/dbraw/zinc/66/30/12/378663012.db2.gz FCMJNFALCQMULB-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653671 378663018 /nfs/dbraw/zinc/66/30/18/378663018.db2.gz FCMJNFALCQMULB-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346662326 378666337 /nfs/dbraw/zinc/66/63/37/378666337.db2.gz WQTLRNPIAKLWJD-ZDUSSCGKSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346662326 378666344 /nfs/dbraw/zinc/66/63/44/378666344.db2.gz WQTLRNPIAKLWJD-ZDUSSCGKSA-N 2 2 269.458 3.072 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CCC[C@@H]2CCO2)[NH+](C)C)cc1 ZINC000638287471 378755728 /nfs/dbraw/zinc/75/57/28/378755728.db2.gz FDJYITYAWWSJOX-QZTJIDSGSA-N 2 2 290.451 3.010 20 0 CGADLP CC(C)O[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000638287039 378756541 /nfs/dbraw/zinc/75/65/41/378756541.db2.gz RFDSURLQSBSTQV-QGZVFWFLSA-N 2 2 287.407 3.029 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000348070539 378775483 /nfs/dbraw/zinc/77/54/83/378775483.db2.gz DJBBKXLHTAESNH-UHFFFAOYSA-N 2 2 298.434 3.424 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000334539557 206683945 /nfs/dbraw/zinc/68/39/45/206683945.db2.gz DOAVQXMEPOVWGZ-DLBZAZTESA-N 2 2 285.366 3.215 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000346824153 218024762 /nfs/dbraw/zinc/02/47/62/218024762.db2.gz LDXAZFRDYKDRJQ-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000346824153 218024763 /nfs/dbraw/zinc/02/47/63/218024763.db2.gz LDXAZFRDYKDRJQ-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cc(C2CC2)no1)C(C)(C)C ZINC000638605257 378848211 /nfs/dbraw/zinc/84/82/11/378848211.db2.gz OOSXFGUCOQOAGL-HNNXBMFYSA-N 2 2 279.428 3.008 20 0 CGADLP c1cn(C2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)c[nH+]1 ZINC000274552518 378848732 /nfs/dbraw/zinc/84/87/32/378848732.db2.gz XYAYJTQWGANCIT-IRXDYDNUSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1nc(F)ccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000278518807 194024043 /nfs/dbraw/zinc/02/40/43/194024043.db2.gz PUYIHZGPLOELDD-UHFFFAOYSA-N 2 2 298.365 3.128 20 0 CGADLP Cc1cccc(NC[C@H](c2ccsc2)[NH+](C)C)[nH+]1 ZINC000274685676 378876171 /nfs/dbraw/zinc/87/61/71/378876171.db2.gz YKVNVYDYVSEXQJ-CYBMUJFWSA-N 2 2 261.394 3.166 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000348426201 378952000 /nfs/dbraw/zinc/95/20/00/378952000.db2.gz WDJQBOBAHGKANJ-HDMKZQKVSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000275251901 378952703 /nfs/dbraw/zinc/95/27/03/378952703.db2.gz PGVSOVPGQXDJFV-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000275251901 378952711 /nfs/dbraw/zinc/95/27/11/378952711.db2.gz PGVSOVPGQXDJFV-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CC2CCC1CC2 ZINC000639070583 379001070 /nfs/dbraw/zinc/00/10/70/379001070.db2.gz ATRQAWMUZKCKSR-NXSPZCGBSA-N 2 2 273.424 3.002 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347184621 218149037 /nfs/dbraw/zinc/14/90/37/218149037.db2.gz YDLJNEUFBQMKDP-WAXTVWTQSA-N 2 2 262.372 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347184621 218149038 /nfs/dbraw/zinc/14/90/38/218149038.db2.gz YDLJNEUFBQMKDP-WAXTVWTQSA-N 2 2 262.372 3.041 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277083180 379063416 /nfs/dbraw/zinc/06/34/16/379063416.db2.gz FLJSVNNDSHAHJI-UONOGXRCSA-N 2 2 287.407 3.305 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277083180 379063422 /nfs/dbraw/zinc/06/34/22/379063422.db2.gz FLJSVNNDSHAHJI-UONOGXRCSA-N 2 2 287.407 3.305 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000277196621 379095303 /nfs/dbraw/zinc/09/53/03/379095303.db2.gz JCJDEXFQISAABT-UONOGXRCSA-N 2 2 279.453 3.003 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347453914 218241132 /nfs/dbraw/zinc/24/11/32/218241132.db2.gz KZMGIGPTMKNLJR-SJORKVTESA-N 2 2 299.418 3.061 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347453914 218241134 /nfs/dbraw/zinc/24/11/34/218241134.db2.gz KZMGIGPTMKNLJR-SJORKVTESA-N 2 2 299.418 3.061 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000639228153 379167851 /nfs/dbraw/zinc/16/78/51/379167851.db2.gz PZXFUVROTBVTSI-GUYCJALGSA-N 2 2 291.439 3.116 20 0 CGADLP Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000266421156 190256448 /nfs/dbraw/zinc/25/64/48/190256448.db2.gz SCZFGUOCZBBSSV-UHFFFAOYSA-N 2 2 296.418 3.109 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1F ZINC000349371313 379253850 /nfs/dbraw/zinc/25/38/50/379253850.db2.gz SQEZZQNUPPQFRA-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1F ZINC000349371313 379253853 /nfs/dbraw/zinc/25/38/53/379253853.db2.gz SQEZZQNUPPQFRA-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000350093598 284772883 /nfs/dbraw/zinc/77/28/83/284772883.db2.gz GCODQDXONPKVEC-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccsc1Cl ZINC000349412437 379273624 /nfs/dbraw/zinc/27/36/24/379273624.db2.gz CJQWOGDDQYWHFG-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1Cl ZINC000349412437 379273630 /nfs/dbraw/zinc/27/36/30/379273630.db2.gz CJQWOGDDQYWHFG-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000349422402 379277920 /nfs/dbraw/zinc/27/79/20/379277920.db2.gz VLIJRSFTHOPKOO-DZGCQCFKSA-N 2 2 264.413 3.177 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000349422402 379277929 /nfs/dbraw/zinc/27/79/29/379277929.db2.gz VLIJRSFTHOPKOO-DZGCQCFKSA-N 2 2 264.413 3.177 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000569088478 322234295 /nfs/dbraw/zinc/23/42/95/322234295.db2.gz NWRHCXHPLSIGHH-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000569088478 322234297 /nfs/dbraw/zinc/23/42/97/322234297.db2.gz NWRHCXHPLSIGHH-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000639380463 379340582 /nfs/dbraw/zinc/34/05/82/379340582.db2.gz YZFNRKHBBNTODG-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000278334585 379352148 /nfs/dbraw/zinc/35/21/48/379352148.db2.gz GQXUKZXXSBXKKZ-DOTOQJQBSA-N 2 2 290.476 3.166 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)[C@@H]3C[NH+]4CCC3CC4)[nH]c2c1 ZINC000639392260 379357600 /nfs/dbraw/zinc/35/76/00/379357600.db2.gz DFSOMXCSUQNMOS-GOSISDBHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)[C@@H]3C[NH+]4CCC3CC4)[nH]c2c1 ZINC000639392260 379357603 /nfs/dbraw/zinc/35/76/03/379357603.db2.gz DFSOMXCSUQNMOS-GOSISDBHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cc(C)c(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c(C)[nH+]1 ZINC000639495208 379433320 /nfs/dbraw/zinc/43/33/20/379433320.db2.gz OZDGDVAIYNOAKY-INIZCTEOSA-N 2 2 298.430 3.390 20 0 CGADLP Cc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@H](C)O)c(C)[nH+]1 ZINC000639495208 379433328 /nfs/dbraw/zinc/43/33/28/379433328.db2.gz OZDGDVAIYNOAKY-INIZCTEOSA-N 2 2 298.430 3.390 20 0 CGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccno1 ZINC000374522233 379452585 /nfs/dbraw/zinc/45/25/85/379452585.db2.gz SBBBYGNZXMNSPY-KRWDZBQOSA-N 2 2 299.418 3.065 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccno1 ZINC000374522233 379452590 /nfs/dbraw/zinc/45/25/90/379452590.db2.gz SBBBYGNZXMNSPY-KRWDZBQOSA-N 2 2 299.418 3.065 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000279833203 379528997 /nfs/dbraw/zinc/52/89/97/379528997.db2.gz QLNQLGWHOLRKRR-KRWDZBQOSA-N 2 2 299.393 3.454 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000639674761 379541746 /nfs/dbraw/zinc/54/17/46/379541746.db2.gz PSMNTEUTRGZVSR-HKUYNNGSSA-N 2 2 296.414 3.315 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000280165819 379626184 /nfs/dbraw/zinc/62/61/84/379626184.db2.gz FOLOSOCCJYHPGA-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000280165819 379626193 /nfs/dbraw/zinc/62/61/93/379626193.db2.gz FOLOSOCCJYHPGA-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000280406254 379700425 /nfs/dbraw/zinc/70/04/25/379700425.db2.gz YEOZUVCOAJXONG-SFHVURJKSA-N 2 2 299.418 3.263 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000280406254 379700433 /nfs/dbraw/zinc/70/04/33/379700433.db2.gz YEOZUVCOAJXONG-SFHVURJKSA-N 2 2 299.418 3.263 20 0 CGADLP FC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000640155568 379736558 /nfs/dbraw/zinc/73/65/58/379736558.db2.gz XLINKVRSOLBUFS-MRXNPFEDSA-N 2 2 282.378 3.302 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000377831105 379747982 /nfs/dbraw/zinc/74/79/82/379747982.db2.gz JTKFEHZSVRGMNW-MRXNPFEDSA-N 2 2 299.418 3.257 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000347737916 218341343 /nfs/dbraw/zinc/34/13/43/218341343.db2.gz VYKXMTBSOYFBDN-UHFFFAOYSA-N 2 2 297.446 3.307 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267478082 190333102 /nfs/dbraw/zinc/33/31/02/190333102.db2.gz ZZSCJYGGNSBUBP-NSHDSACASA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267478082 190333103 /nfs/dbraw/zinc/33/31/03/190333103.db2.gz ZZSCJYGGNSBUBP-NSHDSACASA-N 2 2 277.318 3.068 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000267391376 190326639 /nfs/dbraw/zinc/32/66/39/190326639.db2.gz DFAWDFJCTNMEMZ-CYBMUJFWSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000267391376 190326640 /nfs/dbraw/zinc/32/66/40/190326640.db2.gz DFAWDFJCTNMEMZ-CYBMUJFWSA-N 2 2 275.421 3.468 20 0 CGADLP CCC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000267399952 190327537 /nfs/dbraw/zinc/32/75/37/190327537.db2.gz QMYYJLLTXSQAIP-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP COCC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCC1 ZINC000282160155 379863177 /nfs/dbraw/zinc/86/31/77/379863177.db2.gz XRDSEVGVDFSZMI-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282415203 379914448 /nfs/dbraw/zinc/91/44/48/379914448.db2.gz SIJZYWHXDXBELM-HNNXBMFYSA-N 2 2 291.398 3.171 20 0 CGADLP CC(C)=CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218982 379875655 /nfs/dbraw/zinc/87/56/55/379875655.db2.gz YMKQGCOJNPUUJF-HNNXBMFYSA-N 2 2 273.424 3.365 20 0 CGADLP CC(C)=CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218982 379875658 /nfs/dbraw/zinc/87/56/58/379875658.db2.gz YMKQGCOJNPUUJF-HNNXBMFYSA-N 2 2 273.424 3.365 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)s1 ZINC000399037100 379932465 /nfs/dbraw/zinc/93/24/65/379932465.db2.gz OPTIUBKXKWMCHO-OPRDCNLKSA-N 2 2 258.818 3.193 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C[NH2+]1 ZINC000399123772 379935039 /nfs/dbraw/zinc/93/50/39/379935039.db2.gz IZXUSOZPVCIJTL-OSMZGAPFSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@H]1CC[NH2+]C1 ZINC000400402946 379949956 /nfs/dbraw/zinc/94/99/56/379949956.db2.gz QREXWMBJXKZXNO-YUMQZZPRSA-N 2 2 279.236 3.143 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc(C(C)(C)C)cc[nH+]1 ZINC000641287576 379986497 /nfs/dbraw/zinc/98/64/97/379986497.db2.gz NMMNNHLXHMKGQV-GFCCVEGCSA-N 2 2 258.369 3.076 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000352855659 380007838 /nfs/dbraw/zinc/00/78/38/380007838.db2.gz UPHUTAHWNIVRAK-UHFFFAOYSA-N 2 2 270.467 3.044 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)c21 ZINC000352900113 380027177 /nfs/dbraw/zinc/02/71/77/380027177.db2.gz LYHHBJPCFLNHGV-KSSFIOAISA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)c21 ZINC000352900113 380027182 /nfs/dbraw/zinc/02/71/82/380027182.db2.gz LYHHBJPCFLNHGV-KSSFIOAISA-N 2 2 297.446 3.091 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352972283 380061724 /nfs/dbraw/zinc/06/17/24/380061724.db2.gz CJLFUKOBWVPZRQ-WMZOPIPTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352972283 380061727 /nfs/dbraw/zinc/06/17/27/380061727.db2.gz CJLFUKOBWVPZRQ-WMZOPIPTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352972283 380061731 /nfs/dbraw/zinc/06/17/31/380061731.db2.gz CJLFUKOBWVPZRQ-WMZOPIPTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352972283 380061735 /nfs/dbraw/zinc/06/17/35/380061735.db2.gz CJLFUKOBWVPZRQ-WMZOPIPTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000267939500 190363954 /nfs/dbraw/zinc/36/39/54/190363954.db2.gz HAPLTIWARUOJMQ-UHFFFAOYSA-N 2 2 284.407 3.305 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000283187897 380045594 /nfs/dbraw/zinc/04/55/94/380045594.db2.gz KJVVJWIKQCDPHK-IUODEOHRSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ncc(-c2ccccc2)o1 ZINC000641802558 380113257 /nfs/dbraw/zinc/11/32/57/380113257.db2.gz MQNBUMJTDRHNDC-NILFDRSVSA-N 2 2 285.391 3.118 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000347947425 218410617 /nfs/dbraw/zinc/41/06/17/218410617.db2.gz SVKORZOTUTVZOH-AWEZNQCLSA-N 2 2 298.386 3.402 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000353975445 380260022 /nfs/dbraw/zinc/26/00/22/380260022.db2.gz UWQKTUNOEWLWJO-NXHRZFHOSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000353975445 380260030 /nfs/dbraw/zinc/26/00/30/380260030.db2.gz UWQKTUNOEWLWJO-NXHRZFHOSA-N 2 2 290.451 3.227 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067117 380210496 /nfs/dbraw/zinc/21/04/96/380210496.db2.gz YCBYNKXLLVZVQG-LIRRHRJNSA-N 2 2 290.410 3.440 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067117 380210500 /nfs/dbraw/zinc/21/05/00/380210500.db2.gz YCBYNKXLLVZVQG-LIRRHRJNSA-N 2 2 290.410 3.440 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643069565 380211172 /nfs/dbraw/zinc/21/11/72/380211172.db2.gz VLPLBGRLJWDTTR-WBVHZDCISA-N 2 2 290.476 3.079 20 0 CGADLP Cc1ccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643069565 380211177 /nfs/dbraw/zinc/21/11/77/380211177.db2.gz VLPLBGRLJWDTTR-WBVHZDCISA-N 2 2 290.476 3.079 20 0 CGADLP COc1cccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353931603 380242427 /nfs/dbraw/zinc/24/24/27/380242427.db2.gz JGVFZIFYQXCYQK-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501401 380322010 /nfs/dbraw/zinc/32/20/10/380322010.db2.gz FUFBKVWUEPHKJD-ABAIWWIYSA-N 2 2 264.800 3.059 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643501007 380323183 /nfs/dbraw/zinc/32/31/83/380323183.db2.gz OZGUKWYRTOFGHF-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000643502237 380324587 /nfs/dbraw/zinc/32/45/87/380324587.db2.gz ASVCFFALNFKSFP-GUYCJALGSA-N 2 2 258.409 3.357 20 0 CGADLP Fc1ccc(C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000643507610 380330576 /nfs/dbraw/zinc/33/05/76/380330576.db2.gz KGWQKPULDVOWSE-IBGZPJMESA-N 2 2 298.405 3.451 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507448 380330660 /nfs/dbraw/zinc/33/06/60/380330660.db2.gz DTMOBZXBYFDFFF-MRXNPFEDSA-N 2 2 258.409 3.022 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000643508836 380332192 /nfs/dbraw/zinc/33/21/92/380332192.db2.gz GPPHNXSXAQMNEM-DYVFJYSZSA-N 2 2 269.392 3.049 20 0 CGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])CC2CCCCC2)n1 ZINC000414499716 380276164 /nfs/dbraw/zinc/27/61/64/380276164.db2.gz ZPKZOEJZXANIBH-OLZOCXBDSA-N 2 2 280.416 3.086 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@H]3F)c[nH+]c12 ZINC000414516253 380290269 /nfs/dbraw/zinc/29/02/69/380290269.db2.gz WIOBKLUTSWAQQR-ZIAGYGMSSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000414550849 380316030 /nfs/dbraw/zinc/31/60/30/380316030.db2.gz NUYIREYGEUXEAS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000414550849 380316032 /nfs/dbraw/zinc/31/60/32/380316032.db2.gz NUYIREYGEUXEAS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000643548016 380363512 /nfs/dbraw/zinc/36/35/12/380363512.db2.gz LTXMZYGLOUZUGB-GXFFZTMASA-N 2 2 279.453 3.085 20 0 CGADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(O)c1 ZINC000414741072 380390901 /nfs/dbraw/zinc/39/09/01/380390901.db2.gz GZXYOLUWKMRDJK-ZFWWWQNUSA-N 2 2 264.413 3.149 20 0 CGADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(O)c1 ZINC000414741072 380390903 /nfs/dbraw/zinc/39/09/03/380390903.db2.gz GZXYOLUWKMRDJK-ZFWWWQNUSA-N 2 2 264.413 3.149 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000643525103 380340881 /nfs/dbraw/zinc/34/08/81/380340881.db2.gz WAVNSFVQIJTFPF-IPMKNSEASA-N 2 2 298.430 3.387 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643525327 380340916 /nfs/dbraw/zinc/34/09/16/380340916.db2.gz WZPSPFXGFMHZHW-RRQGHBQHSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000643528474 380345157 /nfs/dbraw/zinc/34/51/57/380345157.db2.gz JXIBEDDXDQNBMT-GZMMTYOYSA-N 2 2 289.206 3.144 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000354167077 380351048 /nfs/dbraw/zinc/35/10/48/380351048.db2.gz NGMQQRXYONFBLT-KLHDSHLOSA-N 2 2 284.513 3.228 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643537651 380354391 /nfs/dbraw/zinc/35/43/91/380354391.db2.gz NNSSCMZMFHBITF-ZQIUZPCESA-N 2 2 294.389 3.347 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000414666425 380360733 /nfs/dbraw/zinc/36/07/33/380360733.db2.gz GJAHDDPZSCKFBB-CYBMUJFWSA-N 2 2 286.366 3.093 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000414666425 380360742 /nfs/dbraw/zinc/36/07/42/380360742.db2.gz GJAHDDPZSCKFBB-CYBMUJFWSA-N 2 2 286.366 3.093 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414816773 380428217 /nfs/dbraw/zinc/42/82/17/380428217.db2.gz QPDOYYFHTMIYFO-LLVKDONJSA-N 2 2 292.320 3.452 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414819492 380429481 /nfs/dbraw/zinc/42/94/81/380429481.db2.gz YXDSAYKJKVMMSN-AWEZNQCLSA-N 2 2 289.448 3.417 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414823693 380431969 /nfs/dbraw/zinc/43/19/69/380431969.db2.gz ISZSGSMLTLJYEL-UHFFFAOYSA-N 2 2 278.396 3.253 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOCc2ccccc2)c[nH+]1 ZINC000354491080 380457889 /nfs/dbraw/zinc/45/78/89/380457889.db2.gz CSKICIPSUZYRTI-UHFFFAOYSA-N 2 2 284.403 3.129 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414838273 380445585 /nfs/dbraw/zinc/44/55/85/380445585.db2.gz VHKOEVZLJPHKFQ-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771979 380397398 /nfs/dbraw/zinc/39/73/98/380397398.db2.gz QIWTYLULTJCVPC-SWLSCSKDSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771979 380397401 /nfs/dbraw/zinc/39/74/01/380397401.db2.gz QIWTYLULTJCVPC-SWLSCSKDSA-N 2 2 272.417 3.337 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414771913 380397440 /nfs/dbraw/zinc/39/74/40/380397440.db2.gz QGAQLNVDENSQAC-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414771913 380397444 /nfs/dbraw/zinc/39/74/44/380397444.db2.gz QGAQLNVDENSQAC-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCc1nc(C[NH2+]CCCc2ccc(C)[nH+]c2)cs1 ZINC000354333920 380402999 /nfs/dbraw/zinc/40/29/99/380402999.db2.gz KKUUCVWGOANEMP-UHFFFAOYSA-N 2 2 275.421 3.131 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414809048 380420822 /nfs/dbraw/zinc/42/08/22/380420822.db2.gz FYCNZMOCOWURMB-LBPRGKRZSA-N 2 2 295.477 3.479 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911620 380486278 /nfs/dbraw/zinc/48/62/78/380486278.db2.gz WYHGPJBJCAVCKJ-LLVKDONJSA-N 2 2 278.783 3.318 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1sccc1Cl ZINC000414921830 380489663 /nfs/dbraw/zinc/48/96/63/380489663.db2.gz BVPNTJZNPGQILM-GFCCVEGCSA-N 2 2 272.845 3.269 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)ccc2c1 ZINC000414937292 380494894 /nfs/dbraw/zinc/49/48/94/380494894.db2.gz DHKZNAWCNHZXST-UGSOOPFHSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414941395 380498052 /nfs/dbraw/zinc/49/80/52/380498052.db2.gz AQIBZFZKMPAXQS-IFXJQAMLSA-N 2 2 298.405 3.233 20 0 CGADLP CC1([NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH2+]CC1 ZINC000414943666 380500365 /nfs/dbraw/zinc/50/03/65/380500365.db2.gz OFGNZXCLJYLSDX-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000414952102 380501548 /nfs/dbraw/zinc/50/15/48/380501548.db2.gz IBGMSOFRLUVNMF-ZANVPECISA-N 2 2 273.207 3.081 20 0 CGADLP CC1CCC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414956721 380502648 /nfs/dbraw/zinc/50/26/48/380502648.db2.gz OYASHGQVEKTBIE-PGEKIEPBSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C(C)C)C2(CO)CCC2)c[nH+]1 ZINC000644835354 380522266 /nfs/dbraw/zinc/52/22/66/380522266.db2.gz ZWBBWFIWINXWGQ-KRWDZBQOSA-N 2 2 290.451 3.099 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000354890265 380562337 /nfs/dbraw/zinc/56/23/37/380562337.db2.gz KRKWFACMVINJGP-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000354890265 380562340 /nfs/dbraw/zinc/56/23/40/380562340.db2.gz KRKWFACMVINJGP-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000645094588 380577049 /nfs/dbraw/zinc/57/70/49/380577049.db2.gz CWPPUNYQJAKXNI-HOTGVXAUSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000645094588 380577053 /nfs/dbraw/zinc/57/70/53/380577053.db2.gz CWPPUNYQJAKXNI-HOTGVXAUSA-N 2 2 250.430 3.338 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417352989 380604220 /nfs/dbraw/zinc/60/42/20/380604220.db2.gz HOKYBALHNYAQGY-IRXDYDNUSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417365971 380611198 /nfs/dbraw/zinc/61/11/98/380611198.db2.gz OFZHZVRVCLKTQX-DZGCQCFKSA-N 2 2 267.376 3.323 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000417379687 380615143 /nfs/dbraw/zinc/61/51/43/380615143.db2.gz JOGMHNJRMSEBII-CQSZACIVSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645827253 380744275 /nfs/dbraw/zinc/74/42/75/380744275.db2.gz QJBCQMIEWHFFON-XDNAFOTISA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645827253 380744280 /nfs/dbraw/zinc/74/42/80/380744280.db2.gz QJBCQMIEWHFFON-XDNAFOTISA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645827253 380744285 /nfs/dbraw/zinc/74/42/85/380744285.db2.gz QJBCQMIEWHFFON-XDNAFOTISA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645827253 380744291 /nfs/dbraw/zinc/74/42/91/380744291.db2.gz QJBCQMIEWHFFON-XDNAFOTISA-N 2 2 294.483 3.140 20 0 CGADLP C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000646010711 380798441 /nfs/dbraw/zinc/79/84/41/380798441.db2.gz CMJTUEVJFJQUDG-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000646010711 380798444 /nfs/dbraw/zinc/79/84/44/380798444.db2.gz CMJTUEVJFJQUDG-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@]1(F)C[NH2+]CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000420335984 380851580 /nfs/dbraw/zinc/85/15/80/380851580.db2.gz PZWQRMPVTXPFEA-IBGZPJMESA-N 2 2 296.389 3.390 20 0 CGADLP C[C@]1(F)C[NH2+]CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000420335984 380851589 /nfs/dbraw/zinc/85/15/89/380851589.db2.gz PZWQRMPVTXPFEA-IBGZPJMESA-N 2 2 296.389 3.390 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357642 380852508 /nfs/dbraw/zinc/85/25/08/380852508.db2.gz DTBPXOJDPXGXRG-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357642 380852514 /nfs/dbraw/zinc/85/25/14/380852514.db2.gz DTBPXOJDPXGXRG-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@@H+]1C ZINC000421340229 380883295 /nfs/dbraw/zinc/88/32/95/380883295.db2.gz HVDLQTFAYMPEFX-DYVFJYSZSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@H+]1C ZINC000421340229 380883312 /nfs/dbraw/zinc/88/33/12/380883312.db2.gz HVDLQTFAYMPEFX-DYVFJYSZSA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H](CC)O1 ZINC000421385481 380930436 /nfs/dbraw/zinc/93/04/36/380930436.db2.gz GNEWEIACVKFYDM-CALCHBBNSA-N 2 2 276.424 3.212 20 0 CGADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H](CC)O1 ZINC000421385481 380930446 /nfs/dbraw/zinc/93/04/46/380930446.db2.gz GNEWEIACVKFYDM-CALCHBBNSA-N 2 2 276.424 3.212 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CCC([NH+](C)C)CC3)cc2c(C)c1 ZINC000334769633 207044894 /nfs/dbraw/zinc/04/48/94/207044894.db2.gz QGOYCTSINRECOL-UHFFFAOYSA-N 2 2 285.435 3.311 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000357348947 381120980 /nfs/dbraw/zinc/12/09/80/381120980.db2.gz HSOOTNKOGJFVKW-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357348947 381120993 /nfs/dbraw/zinc/12/09/93/381120993.db2.gz HSOOTNKOGJFVKW-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)on1 ZINC000357381864 381135137 /nfs/dbraw/zinc/13/51/37/381135137.db2.gz TZKXIRSFAKESIS-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358395880 381307402 /nfs/dbraw/zinc/30/74/02/381307402.db2.gz ISYFWGHDQMHCCS-WWGRRREGSA-N 2 2 278.465 3.399 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358395880 381307408 /nfs/dbraw/zinc/30/74/08/381307408.db2.gz ISYFWGHDQMHCCS-WWGRRREGSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000360155459 381461479 /nfs/dbraw/zinc/46/14/79/381461479.db2.gz ZRACYQDCUBSQJV-UGFHNGPFSA-N 2 2 276.424 3.141 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000360155459 381461488 /nfs/dbraw/zinc/46/14/88/381461488.db2.gz ZRACYQDCUBSQJV-UGFHNGPFSA-N 2 2 276.424 3.141 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000361586013 381820224 /nfs/dbraw/zinc/82/02/24/381820224.db2.gz KNTPUPHZMKMNLO-KRWDZBQOSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000361586013 381820229 /nfs/dbraw/zinc/82/02/29/381820229.db2.gz KNTPUPHZMKMNLO-KRWDZBQOSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000361586013 381820238 /nfs/dbraw/zinc/82/02/38/381820238.db2.gz KNTPUPHZMKMNLO-KRWDZBQOSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000361586013 381820244 /nfs/dbraw/zinc/82/02/44/381820244.db2.gz KNTPUPHZMKMNLO-KRWDZBQOSA-N 2 2 258.409 3.185 20 0 CGADLP COC1(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557555 381801817 /nfs/dbraw/zinc/80/18/17/381801817.db2.gz RKPUONWGCSHGTG-HOTGVXAUSA-N 2 2 291.439 3.115 20 0 CGADLP COC1(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557555 381801824 /nfs/dbraw/zinc/80/18/24/381801824.db2.gz RKPUONWGCSHGTG-HOTGVXAUSA-N 2 2 291.439 3.115 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947315 207339190 /nfs/dbraw/zinc/33/91/90/207339190.db2.gz XLJZKUXLIWQVAK-ZIAGYGMSSA-N 2 2 261.413 3.197 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947315 207339192 /nfs/dbraw/zinc/33/91/92/207339192.db2.gz XLJZKUXLIWQVAK-ZIAGYGMSSA-N 2 2 261.413 3.197 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC000234389431 542308667 /nfs/dbraw/zinc/30/86/67/542308667.db2.gz GJPUNVVQGKXCQL-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000234389431 542308670 /nfs/dbraw/zinc/30/86/70/542308670.db2.gz GJPUNVVQGKXCQL-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250658542 542343584 /nfs/dbraw/zinc/34/35/84/542343584.db2.gz YFZZDQNJFWRCAW-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250658542 542343588 /nfs/dbraw/zinc/34/35/88/542343588.db2.gz YFZZDQNJFWRCAW-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250736139 542344295 /nfs/dbraw/zinc/34/42/95/542344295.db2.gz BSFXKZRYYLJLJQ-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250736139 542344299 /nfs/dbraw/zinc/34/42/99/542344299.db2.gz BSFXKZRYYLJLJQ-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000250909482 542344564 /nfs/dbraw/zinc/34/45/64/542344564.db2.gz WYVAGSKKHZEYPD-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000250909482 542344571 /nfs/dbraw/zinc/34/45/71/542344571.db2.gz WYVAGSKKHZEYPD-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)[C@H]1C[NH3+] ZINC000252703941 542351194 /nfs/dbraw/zinc/35/11/94/542351194.db2.gz LORUGZCLUZRDCW-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@H]1C[NH3+] ZINC000252703941 542351197 /nfs/dbraw/zinc/35/11/97/542351197.db2.gz LORUGZCLUZRDCW-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000253368135 542352544 /nfs/dbraw/zinc/35/25/44/542352544.db2.gz XADSXPULOQIKLV-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000253368135 542352556 /nfs/dbraw/zinc/35/25/56/542352556.db2.gz XADSXPULOQIKLV-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423376724 533001925 /nfs/dbraw/zinc/00/19/25/533001925.db2.gz BDPFLYLABQQMMJ-CRAIPNDOSA-N 2 2 268.404 3.168 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]1 ZINC000335258479 208044644 /nfs/dbraw/zinc/04/46/44/208044644.db2.gz JGXQRFVPDVFAPQ-MNOVXSKESA-N 2 2 278.783 3.316 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC[C@@H](F)C3)n2c1 ZINC000335372768 208305445 /nfs/dbraw/zinc/30/54/45/208305445.db2.gz PGARKCLEBFNKDN-OLZOCXBDSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751140 220303635 /nfs/dbraw/zinc/30/36/35/220303635.db2.gz IWBIJOHNZZKPCN-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751140 220303640 /nfs/dbraw/zinc/30/36/40/220303640.db2.gz IWBIJOHNZZKPCN-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751140 220303646 /nfs/dbraw/zinc/30/36/46/220303646.db2.gz IWBIJOHNZZKPCN-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751140 220303651 /nfs/dbraw/zinc/30/36/51/220303651.db2.gz IWBIJOHNZZKPCN-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000289373347 197317235 /nfs/dbraw/zinc/31/72/35/197317235.db2.gz AOOMIHPWONSBHE-CVEARBPZSA-N 2 2 276.424 3.117 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000353793154 220333207 /nfs/dbraw/zinc/33/32/07/220333207.db2.gz VWULXDWUSCJKCH-UHFFFAOYSA-N 2 2 266.816 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000353792349 220334273 /nfs/dbraw/zinc/33/42/73/220334273.db2.gz UGVMJMSZISKKFV-UHFFFAOYSA-N 2 2 277.799 3.279 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000285731303 542389372 /nfs/dbraw/zinc/38/93/72/542389372.db2.gz PVXXTLXAXJSJBN-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000285731303 542389375 /nfs/dbraw/zinc/38/93/75/542389375.db2.gz PVXXTLXAXJSJBN-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1cccc(F)c1 ZINC000289290460 197285475 /nfs/dbraw/zinc/28/54/75/197285475.db2.gz PQVKWWOELAKQGQ-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289257858 197277254 /nfs/dbraw/zinc/27/72/54/197277254.db2.gz NZTWEVPMBNQJDW-GUYCJALGSA-N 2 2 294.402 3.420 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1F ZINC000423389519 533170931 /nfs/dbraw/zinc/17/09/31/533170931.db2.gz NOLRSIVMQHANJJ-BLLLJJGKSA-N 2 2 294.414 3.263 20 0 CGADLP Cc1[nH+]cccc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000311791612 542430682 /nfs/dbraw/zinc/43/06/82/542430682.db2.gz ZYRHFIYQZOUUDH-VXGBXAGGSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(CCO)CCCCC2)c[nH+]1 ZINC000354517829 220784524 /nfs/dbraw/zinc/78/45/24/220784524.db2.gz YZVGJUHYPNXGMT-UHFFFAOYSA-N 2 2 290.451 3.245 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423243672 533197788 /nfs/dbraw/zinc/19/77/88/533197788.db2.gz WWAXLAULTVBGSY-IEBWSBKVSA-N 2 2 296.414 3.126 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423196858 533198560 /nfs/dbraw/zinc/19/85/60/533198560.db2.gz WQKWVQLOSURYOP-IEBWSBKVSA-N 2 2 296.414 3.126 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000019960353 285288709 /nfs/dbraw/zinc/28/87/09/285288709.db2.gz SQXPAALMJCORDM-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000019960353 285288712 /nfs/dbraw/zinc/28/87/12/285288712.db2.gz SQXPAALMJCORDM-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067638 542486010 /nfs/dbraw/zinc/48/60/10/542486010.db2.gz BPXWXZSSHLZSSI-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067638 542486012 /nfs/dbraw/zinc/48/60/12/542486012.db2.gz BPXWXZSSHLZSSI-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000339074442 542486213 /nfs/dbraw/zinc/48/62/13/542486213.db2.gz LLZMCLOUKDWFEF-QLFBSQMISA-N 2 2 291.464 3.119 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000339074442 542486215 /nfs/dbraw/zinc/48/62/15/542486215.db2.gz LLZMCLOUKDWFEF-QLFBSQMISA-N 2 2 291.464 3.119 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439743 542500985 /nfs/dbraw/zinc/50/09/85/542500985.db2.gz FWYZNSCDUCMMNO-OWCLPIDISA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439743 542500988 /nfs/dbraw/zinc/50/09/88/542500988.db2.gz FWYZNSCDUCMMNO-OWCLPIDISA-N 2 2 298.434 3.006 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)sc1Cl ZINC000423282202 533351356 /nfs/dbraw/zinc/35/13/56/533351356.db2.gz CIWQJWLWPBGLPL-ZCFIWIBFSA-N 2 2 267.225 3.443 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)[C@H](C)[NH3+] ZINC000423454658 533502046 /nfs/dbraw/zinc/50/20/46/533502046.db2.gz ZIMXZSJYFSAHTN-XVMARJQXSA-N 2 2 267.225 3.441 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000423554147 533517632 /nfs/dbraw/zinc/51/76/32/533517632.db2.gz LCRLNFCEXVKSHW-BXUZGUMPSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1csc(Cl)c1 ZINC000423543824 533518141 /nfs/dbraw/zinc/51/81/41/533518141.db2.gz CEMKVFVUEBJSKI-MWLCHTKSSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423545893 533519131 /nfs/dbraw/zinc/51/91/31/533519131.db2.gz FBCUGPCAWFBSRL-CXAGYDPISA-N 2 2 258.409 3.357 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccn(C)n1 ZINC000414120362 533533949 /nfs/dbraw/zinc/53/39/49/533533949.db2.gz XNEFUGIZXSFDMM-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423278666 533537332 /nfs/dbraw/zinc/53/73/32/533537332.db2.gz QCEAOBRIYYFWGU-BXUZGUMPSA-N 2 2 287.432 3.198 20 0 CGADLP FC1(F)CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000380287254 542594783 /nfs/dbraw/zinc/59/47/83/542594783.db2.gz DMTIPMGKLJWSJB-CYBMUJFWSA-N 2 2 277.318 3.150 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389404439 542608619 /nfs/dbraw/zinc/60/86/19/542608619.db2.gz LMDOHRGUCQXMFT-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389404439 542608621 /nfs/dbraw/zinc/60/86/21/542608621.db2.gz LMDOHRGUCQXMFT-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CC(C)(C)[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000054764835 392093222 /nfs/dbraw/zinc/09/32/22/392093222.db2.gz VZXZRSHFQVYSTA-CQSZACIVSA-N 2 2 261.344 3.426 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049574995 392054980 /nfs/dbraw/zinc/05/49/80/392054980.db2.gz YOKYZNGMONYQKU-QGZVFWFLSA-N 2 2 276.399 3.352 20 0 CGADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000335042061 285468632 /nfs/dbraw/zinc/46/86/32/285468632.db2.gz XFLVKVSZLVXTHI-ZIAGYGMSSA-N 2 2 299.443 3.139 20 0 CGADLP C[N@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737315 392185041 /nfs/dbraw/zinc/18/50/41/392185041.db2.gz PXTUBLKSOVWYIN-UHFFFAOYSA-N 2 2 267.332 3.097 20 0 CGADLP C[N@@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737315 392185046 /nfs/dbraw/zinc/18/50/46/392185046.db2.gz PXTUBLKSOVWYIN-UHFFFAOYSA-N 2 2 267.332 3.097 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)CCC2 ZINC000361747357 392310378 /nfs/dbraw/zinc/31/03/78/392310378.db2.gz ZPXLDJBWLLXAAJ-DARAHFNDSA-N 2 2 275.440 3.483 20 0 CGADLP CCc1cccc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000108368990 392342508 /nfs/dbraw/zinc/34/25/08/392342508.db2.gz XZILDCVWHZHVJZ-UHFFFAOYSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361929787 392366120 /nfs/dbraw/zinc/36/61/20/392366120.db2.gz ZSYXKQNSKJWRPO-FRQCXROJSA-N 2 2 298.430 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361929787 392366128 /nfs/dbraw/zinc/36/61/28/392366128.db2.gz ZSYXKQNSKJWRPO-FRQCXROJSA-N 2 2 298.430 3.321 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000109845113 392374871 /nfs/dbraw/zinc/37/48/71/392374871.db2.gz AAKTXCTZOCJURN-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000127448714 392447181 /nfs/dbraw/zinc/44/71/81/392447181.db2.gz BMDVRCFVIMTLAM-OAGGEKHMSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C[N@H+]1C1CC1 ZINC000127448714 392447183 /nfs/dbraw/zinc/44/71/83/392447183.db2.gz BMDVRCFVIMTLAM-OAGGEKHMSA-N 2 2 292.467 3.083 20 0 CGADLP CC(C)[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152099147 392495175 /nfs/dbraw/zinc/49/51/75/392495175.db2.gz RVEHQINXIGPMCM-CQSZACIVSA-N 2 2 257.381 3.066 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000153098340 392510948 /nfs/dbraw/zinc/51/09/48/392510948.db2.gz QOOMZNMTUGOTOO-AEFFLSMTSA-N 2 2 290.451 3.086 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@@H+]1C ZINC000647333145 392678979 /nfs/dbraw/zinc/67/89/79/392678979.db2.gz MXXFOQJENQBOGB-KGLIPLIRSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000647333145 392678986 /nfs/dbraw/zinc/67/89/86/392678986.db2.gz MXXFOQJENQBOGB-KGLIPLIRSA-N 2 2 276.399 3.277 20 0 CGADLP COc1ccc([C@H](CC(C)C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000647280813 392633145 /nfs/dbraw/zinc/63/31/45/392633145.db2.gz CSCAMGLTLOXCCP-KRWDZBQOSA-N 2 2 287.407 3.269 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(F)(F)CC1 ZINC000647282125 392633788 /nfs/dbraw/zinc/63/37/88/392633788.db2.gz AKZRAQJMPNFPBK-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554193 392768977 /nfs/dbraw/zinc/76/89/77/392768977.db2.gz SWQFHJTYUJNWSG-INIZCTEOSA-N 2 2 258.409 3.068 20 0 CGADLP Cc1cccc(C2([NH2+]CC[NH2+]C(C)(C)C)CCC2)c1 ZINC000647553053 392765250 /nfs/dbraw/zinc/76/52/50/392765250.db2.gz XNQPAXPLLSCQAG-UHFFFAOYSA-N 2 2 260.425 3.352 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[NH+]1CCCC1)CC3 ZINC000180003813 392706172 /nfs/dbraw/zinc/70/61/72/392706172.db2.gz KAMFMJPSVLNMQY-HNNXBMFYSA-N 2 2 297.446 3.019 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)[C@H]1C[C@H]1C ZINC000647363629 392708637 /nfs/dbraw/zinc/70/86/37/392708637.db2.gz FLVZRDIFJCIPAG-KCXAZCMYSA-N 2 2 271.408 3.209 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@H]1[NH3+] ZINC000647938615 392839168 /nfs/dbraw/zinc/83/91/68/392839168.db2.gz QQCXOPDPHWWBDV-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@H]1[NH3+] ZINC000647938615 392839173 /nfs/dbraw/zinc/83/91/73/392839173.db2.gz QQCXOPDPHWWBDV-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1nccs1 ZINC000192182019 392839999 /nfs/dbraw/zinc/83/99/99/392839999.db2.gz SUGIDYHHYVTWRE-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335307491 392788118 /nfs/dbraw/zinc/78/81/18/392788118.db2.gz RZEQJTKJKKBRIP-JXQTWKCFSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335307491 392788121 /nfs/dbraw/zinc/78/81/21/392788121.db2.gz RZEQJTKJKKBRIP-JXQTWKCFSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+]1CCCCC1 ZINC000510649412 392806167 /nfs/dbraw/zinc/80/61/67/392806167.db2.gz HRUHIRQWBWOPOR-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000510666600 392808759 /nfs/dbraw/zinc/80/87/59/392808759.db2.gz PVYCYPAOBCCWPX-OLZOCXBDSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000510666600 392808769 /nfs/dbraw/zinc/80/87/69/392808769.db2.gz PVYCYPAOBCCWPX-OLZOCXBDSA-N 2 2 296.405 3.358 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510714501 392811427 /nfs/dbraw/zinc/81/14/27/392811427.db2.gz CQOFORXXJJNKSP-OAGGEKHMSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510714501 392811431 /nfs/dbraw/zinc/81/14/31/392811431.db2.gz CQOFORXXJJNKSP-OAGGEKHMSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918501 392819918 /nfs/dbraw/zinc/81/99/18/392819918.db2.gz FBZMFLUGNDRPFD-MAUKXSAKSA-N 2 2 290.451 3.151 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918501 392819919 /nfs/dbraw/zinc/81/99/19/392819919.db2.gz FBZMFLUGNDRPFD-MAUKXSAKSA-N 2 2 290.451 3.151 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC13CCCC3)CCC2 ZINC000336064030 392831033 /nfs/dbraw/zinc/83/10/33/392831033.db2.gz HTNXWTDNIYIRSF-LSDHHAIUSA-N 2 2 273.424 3.381 20 0 CGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000375844110 392831230 /nfs/dbraw/zinc/83/12/30/392831230.db2.gz ZREGTSXCGWJHLP-LSDHHAIUSA-N 2 2 298.434 3.286 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccsc1 ZINC000382143395 392918409 /nfs/dbraw/zinc/91/84/09/392918409.db2.gz QYJNSSRXBUJXPA-CQSZACIVSA-N 2 2 263.410 3.466 20 0 CGADLP C[NH+](C)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000193818578 392886835 /nfs/dbraw/zinc/88/68/35/392886835.db2.gz LAJHKQIGJHDKGM-UHFFFAOYSA-N 2 2 298.883 3.458 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194224866 392909208 /nfs/dbraw/zinc/90/92/08/392909208.db2.gz CYPJKJMWTAXEOG-UHFFFAOYSA-N 2 2 298.434 3.039 20 0 CGADLP FC1(F)CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000336383725 392852741 /nfs/dbraw/zinc/85/27/41/392852741.db2.gz NGWJTQPMOWRAOL-CQSZACIVSA-N 2 2 295.377 3.218 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647970801 392854062 /nfs/dbraw/zinc/85/40/62/392854062.db2.gz GZMFQMKTVNRMTC-HDMKZQKVSA-N 2 2 299.418 3.074 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)[nH]1 ZINC000495178601 542723145 /nfs/dbraw/zinc/72/31/45/542723145.db2.gz SDLUHOSVWMMJLS-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)[nH]1 ZINC000495178601 542723148 /nfs/dbraw/zinc/72/31/48/542723148.db2.gz SDLUHOSVWMMJLS-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC(F)(F)F ZINC000402505071 392955472 /nfs/dbraw/zinc/95/54/72/392955472.db2.gz ATUBBZSEKCURDL-GRYCIOLGSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC(F)(F)F ZINC000402505071 392955476 /nfs/dbraw/zinc/95/54/76/392955476.db2.gz ATUBBZSEKCURDL-GRYCIOLGSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339452473 392956224 /nfs/dbraw/zinc/95/62/24/392956224.db2.gz ZLHUAYUFTPRYRS-HYEGPXJVSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339452473 392956227 /nfs/dbraw/zinc/95/62/27/392956227.db2.gz ZLHUAYUFTPRYRS-HYEGPXJVSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212417 542747692 /nfs/dbraw/zinc/74/76/92/542747692.db2.gz GLBNDRIOCOXGKF-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212417 542747694 /nfs/dbraw/zinc/74/76/94/542747694.db2.gz GLBNDRIOCOXGKF-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000340437912 392972482 /nfs/dbraw/zinc/97/24/82/392972482.db2.gz UJZHJLSDEUEULK-UWLZSVRSSA-N 2 2 250.430 3.028 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000340437912 392972489 /nfs/dbraw/zinc/97/24/89/392972489.db2.gz UJZHJLSDEUEULK-UWLZSVRSSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464069767 392972977 /nfs/dbraw/zinc/97/29/77/392972977.db2.gz LLQNZJQZFTXWOA-IRXDYDNUSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464069767 392972981 /nfs/dbraw/zinc/97/29/81/392972981.db2.gz LLQNZJQZFTXWOA-IRXDYDNUSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464069766 392973057 /nfs/dbraw/zinc/97/30/57/392973057.db2.gz LLQNZJQZFTXWOA-IAGOWNOFSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464069766 392973061 /nfs/dbraw/zinc/97/30/61/392973061.db2.gz LLQNZJQZFTXWOA-IAGOWNOFSA-N 2 2 274.452 3.499 20 0 CGADLP Cc1cnccc1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406077941 392969340 /nfs/dbraw/zinc/96/93/40/392969340.db2.gz VQMBOSBTIUIHRX-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406077941 392969349 /nfs/dbraw/zinc/96/93/49/392969349.db2.gz VQMBOSBTIUIHRX-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936047 393084971 /nfs/dbraw/zinc/08/49/71/393084971.db2.gz OHYYMLWBBJZQHD-GLJUWKHASA-N 2 2 272.436 3.166 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936047 393084976 /nfs/dbraw/zinc/08/49/76/393084976.db2.gz OHYYMLWBBJZQHD-GLJUWKHASA-N 2 2 272.436 3.166 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000547268777 393100870 /nfs/dbraw/zinc/10/08/70/393100870.db2.gz REZCYTDETKOUEN-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000547268777 393100877 /nfs/dbraw/zinc/10/08/77/393100877.db2.gz REZCYTDETKOUEN-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000467538019 393104196 /nfs/dbraw/zinc/10/41/96/393104196.db2.gz PLGUMSWIGNVVAZ-ZDUSSCGKSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245692510 393045322 /nfs/dbraw/zinc/04/53/22/393045322.db2.gz AVAFGUCUAZSNQK-BZUAXINKSA-N 2 2 259.397 3.122 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1n1cc[nH+]c1 ZINC000245692510 393045325 /nfs/dbraw/zinc/04/53/25/393045325.db2.gz AVAFGUCUAZSNQK-BZUAXINKSA-N 2 2 259.397 3.122 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000415038450 393106238 /nfs/dbraw/zinc/10/62/38/393106238.db2.gz MAWCPNQLTJSEQN-GFCCVEGCSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000345515849 393057259 /nfs/dbraw/zinc/05/72/59/393057259.db2.gz FYDRRJORRAMRDW-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000345515849 393057264 /nfs/dbraw/zinc/05/72/64/393057264.db2.gz FYDRRJORRAMRDW-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648485814 393059763 /nfs/dbraw/zinc/05/97/63/393059763.db2.gz JLSNQGKNCLGEPM-IBGZPJMESA-N 2 2 280.415 3.470 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000546613983 393061268 /nfs/dbraw/zinc/06/12/68/393061268.db2.gz ZDUYGECBJSKHBI-UONOGXRCSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000546613983 393061277 /nfs/dbraw/zinc/06/12/77/393061277.db2.gz ZDUYGECBJSKHBI-UONOGXRCSA-N 2 2 266.454 3.001 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414961449 393066755 /nfs/dbraw/zinc/06/67/55/393066755.db2.gz VHFYUFUQGNHOTO-CGTJXYLNSA-N 2 2 270.420 3.042 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414963671 393069342 /nfs/dbraw/zinc/06/93/42/393069342.db2.gz XWTSPSNEJVZEGV-LRDDRELGSA-N 2 2 288.366 3.316 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053155 393115494 /nfs/dbraw/zinc/11/54/94/393115494.db2.gz OGSYWFZXHRGHEM-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053155 393115501 /nfs/dbraw/zinc/11/55/01/393115501.db2.gz OGSYWFZXHRGHEM-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057903 393119957 /nfs/dbraw/zinc/11/99/57/393119957.db2.gz VETXXHIFDUWDTE-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057903 393119963 /nfs/dbraw/zinc/11/99/63/393119963.db2.gz VETXXHIFDUWDTE-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415064677 393123609 /nfs/dbraw/zinc/12/36/09/393123609.db2.gz DKPVSFFTNSTVKP-CYBMUJFWSA-N 2 2 260.406 3.133 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(COC)c1 ZINC000415064480 393124658 /nfs/dbraw/zinc/12/46/58/393124658.db2.gz KTAXFKGDPOBSAK-LJQANCHMSA-N 2 2 298.430 3.185 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000415068146 393126363 /nfs/dbraw/zinc/12/63/63/393126363.db2.gz QHHOCCWXVRNPPD-KSSFIOAISA-N 2 2 290.451 3.044 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000415070078 393128029 /nfs/dbraw/zinc/12/80/29/393128029.db2.gz UKMDTLCJWYFKLT-QILLFSRXSA-N 2 2 290.451 3.044 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(C)c1 ZINC000415070402 393128328 /nfs/dbraw/zinc/12/83/28/393128328.db2.gz UXISTUUFWKRQMW-SFHVURJKSA-N 2 2 268.404 3.347 20 0 CGADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415121602 393150828 /nfs/dbraw/zinc/15/08/28/393150828.db2.gz MWDBUUQRVOBBNV-APWZRJJASA-N 2 2 298.405 3.451 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000415119656 393150931 /nfs/dbraw/zinc/15/09/31/393150931.db2.gz ZIBGUSPOOBKLQT-ZDUSSCGKSA-N 2 2 266.404 3.077 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000415119656 393150936 /nfs/dbraw/zinc/15/09/36/393150936.db2.gz ZIBGUSPOOBKLQT-ZDUSSCGKSA-N 2 2 266.404 3.077 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1 ZINC000415126073 393153865 /nfs/dbraw/zinc/15/38/65/393153865.db2.gz PASZTTFDFJZBBC-JKSUJKDBSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)s1 ZINC000415126073 393153871 /nfs/dbraw/zinc/15/38/71/393153871.db2.gz PASZTTFDFJZBBC-JKSUJKDBSA-N 2 2 290.407 3.122 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000469803261 393217259 /nfs/dbraw/zinc/21/72/59/393217259.db2.gz YDYLNFRFEPRKSM-CRAIPNDOSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cn[nH]c1 ZINC000271446892 393249873 /nfs/dbraw/zinc/24/98/73/393249873.db2.gz FTZWGINTCDPLQA-RVKKMQEKSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cn[nH]c1 ZINC000271446892 393249877 /nfs/dbraw/zinc/24/98/77/393249877.db2.gz FTZWGINTCDPLQA-RVKKMQEKSA-N 2 2 298.434 3.113 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000271470695 393251880 /nfs/dbraw/zinc/25/18/80/393251880.db2.gz HITYNTAPSZENAH-KBXCAEBGSA-N 2 2 287.451 3.385 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352242967 393200422 /nfs/dbraw/zinc/20/04/22/393200422.db2.gz UUSVXPKVAPOGIV-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352242967 393200426 /nfs/dbraw/zinc/20/04/26/393200426.db2.gz UUSVXPKVAPOGIV-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000469794476 393216973 /nfs/dbraw/zinc/21/69/73/393216973.db2.gz RFTDGXQBPVYHHX-QAPCUYQASA-N 2 2 274.452 3.328 20 0 CGADLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000648817026 393262895 /nfs/dbraw/zinc/26/28/95/393262895.db2.gz ZQBGJCJZJLOCNV-WCQYABFASA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000648817026 393262900 /nfs/dbraw/zinc/26/29/00/393262900.db2.gz ZQBGJCJZJLOCNV-WCQYABFASA-N 2 2 294.826 3.063 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC[N@H+]2CC=CCC2)cc1 ZINC000475495131 393404337 /nfs/dbraw/zinc/40/43/37/393404337.db2.gz ROJQVMDVMFMOGR-UHFFFAOYSA-N 2 2 272.436 3.204 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC[N@@H+]2CC=CCC2)cc1 ZINC000475495131 393404340 /nfs/dbraw/zinc/40/43/40/393404340.db2.gz ROJQVMDVMFMOGR-UHFFFAOYSA-N 2 2 272.436 3.204 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c(C)c1 ZINC000280647574 393343378 /nfs/dbraw/zinc/34/33/78/393343378.db2.gz ZWNVHPNNZFTBSC-KRWDZBQOSA-N 2 2 283.419 3.380 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c(C)c1 ZINC000280647574 393343381 /nfs/dbraw/zinc/34/33/81/393343381.db2.gz ZWNVHPNNZFTBSC-KRWDZBQOSA-N 2 2 283.419 3.380 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC1(C)C ZINC000417351568 393348502 /nfs/dbraw/zinc/34/85/02/393348502.db2.gz SDTIJJJIRCWFJI-AGIUHOORSA-N 2 2 261.413 3.071 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC1(C)C ZINC000417351568 393348507 /nfs/dbraw/zinc/34/85/07/393348507.db2.gz SDTIJJJIRCWFJI-AGIUHOORSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(SC)CCC1 ZINC000356184060 393372641 /nfs/dbraw/zinc/37/26/41/393372641.db2.gz BVIZWBYYIWCCMU-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(SC)CCC1 ZINC000356184060 393372653 /nfs/dbraw/zinc/37/26/53/393372653.db2.gz BVIZWBYYIWCCMU-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000482087473 393438856 /nfs/dbraw/zinc/43/88/56/393438856.db2.gz HUZSIGZQVMDFMJ-OAHLLOKOSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000482087473 393438859 /nfs/dbraw/zinc/43/88/59/393438859.db2.gz HUZSIGZQVMDFMJ-OAHLLOKOSA-N 2 2 274.452 3.427 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])CNc1cc(C)cc[nH+]1 ZINC000420263786 393445663 /nfs/dbraw/zinc/44/56/63/393445663.db2.gz ADEQBIAYQPSVCW-OAHLLOKOSA-N 2 2 255.365 3.064 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000487303827 393451412 /nfs/dbraw/zinc/45/14/12/393451412.db2.gz AESDYRSFYRUWPQ-VYDXJSESSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000487303827 393451413 /nfs/dbraw/zinc/45/14/13/393451413.db2.gz AESDYRSFYRUWPQ-VYDXJSESSA-N 2 2 290.476 3.165 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1c1ccccc1 ZINC000420309699 393458972 /nfs/dbraw/zinc/45/89/72/393458972.db2.gz FFKYHWYOGKIRFH-DLBZAZTESA-N 2 2 286.444 3.107 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1c1ccccc1 ZINC000420309699 393458975 /nfs/dbraw/zinc/45/89/75/393458975.db2.gz FFKYHWYOGKIRFH-DLBZAZTESA-N 2 2 286.444 3.107 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1Cl ZINC000420330030 393470511 /nfs/dbraw/zinc/47/05/11/393470511.db2.gz PGSDPSVWQUFMKP-UHFFFAOYSA-N 2 2 296.842 3.440 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1Cl ZINC000420330030 393470518 /nfs/dbraw/zinc/47/05/18/393470518.db2.gz PGSDPSVWQUFMKP-UHFFFAOYSA-N 2 2 296.842 3.440 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1F ZINC000420410101 393484542 /nfs/dbraw/zinc/48/45/42/393484542.db2.gz QYSCMVQSDMQQRO-RNCFNFMXSA-N 2 2 258.768 3.113 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488413924 393503046 /nfs/dbraw/zinc/50/30/46/393503046.db2.gz DHBQWWSQRDYQRI-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488413924 393503050 /nfs/dbraw/zinc/50/30/50/393503050.db2.gz DHBQWWSQRDYQRI-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)CCc2cccn2C)c[nH+]1 ZINC000429836954 393505743 /nfs/dbraw/zinc/50/57/43/393505743.db2.gz BAFGXUMISFVFKL-OAHLLOKOSA-N 2 2 285.435 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000488420062 393506362 /nfs/dbraw/zinc/50/63/62/393506362.db2.gz VUBRGJBFTZRXAJ-KCQAQPDRSA-N 2 2 255.365 3.179 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488428228 393509719 /nfs/dbraw/zinc/50/97/19/393509719.db2.gz YVNDIAUIYVVFNY-OAGGEKHMSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488428228 393509724 /nfs/dbraw/zinc/50/97/24/393509724.db2.gz YVNDIAUIYVVFNY-OAGGEKHMSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000488445471 393515983 /nfs/dbraw/zinc/51/59/83/393515983.db2.gz YETHWTGMRNKZJT-LSDHHAIUSA-N 2 2 284.513 3.372 20 0 CGADLP c1cn(CC[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)c[nH+]1 ZINC000649676716 393537646 /nfs/dbraw/zinc/53/76/46/393537646.db2.gz SMQAURVWKZAFJS-UHFFFAOYSA-N 2 2 293.370 3.201 20 0 CGADLP c1cn(CC[N@H+]2CCc3oc(-c4ccccc4)cc3C2)c[nH+]1 ZINC000649676716 393537653 /nfs/dbraw/zinc/53/76/53/393537653.db2.gz SMQAURVWKZAFJS-UHFFFAOYSA-N 2 2 293.370 3.201 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccccc1)CCC2 ZINC000359952289 393558464 /nfs/dbraw/zinc/55/84/64/393558464.db2.gz KZKMCQHTJVEMLA-HOCLYGCPSA-N 2 2 269.392 3.420 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430544972 393572729 /nfs/dbraw/zinc/57/27/29/393572729.db2.gz ARCRMZYBNADMFG-SJORKVTESA-N 2 2 296.414 3.045 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430544972 393572740 /nfs/dbraw/zinc/57/27/40/393572740.db2.gz ARCRMZYBNADMFG-SJORKVTESA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430556242 393574300 /nfs/dbraw/zinc/57/43/00/393574300.db2.gz KLOVDDRDRAVJOV-CYBMUJFWSA-N 2 2 287.407 3.319 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430556242 393574306 /nfs/dbraw/zinc/57/43/06/393574306.db2.gz KLOVDDRDRAVJOV-CYBMUJFWSA-N 2 2 287.407 3.319 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000430553990 393574870 /nfs/dbraw/zinc/57/48/70/393574870.db2.gz LYXZZEJJNBHAKH-MOPGFXCFSA-N 2 2 280.415 3.209 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000430553990 393574874 /nfs/dbraw/zinc/57/48/74/393574874.db2.gz LYXZZEJJNBHAKH-MOPGFXCFSA-N 2 2 280.415 3.209 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000666767027 542814969 /nfs/dbraw/zinc/81/49/69/542814969.db2.gz PWUKYWCFVZMSRS-KRWDZBQOSA-N 2 2 284.403 3.080 20 0 CGADLP CC1CC[NH+](CC[NH2+]CCSCc2ccccc2)CC1 ZINC000430747043 393593193 /nfs/dbraw/zinc/59/31/93/393593193.db2.gz VDGLOGRVCHACRA-UHFFFAOYSA-N 2 2 292.492 3.241 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000430586377 393578496 /nfs/dbraw/zinc/57/84/96/393578496.db2.gz WHBDBUOQHJHDGG-GFCCVEGCSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000430586377 393578503 /nfs/dbraw/zinc/57/85/03/393578503.db2.gz WHBDBUOQHJHDGG-GFCCVEGCSA-N 2 2 293.436 3.208 20 0 CGADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000430721744 393590940 /nfs/dbraw/zinc/59/09/40/393590940.db2.gz CTCSOGREHLZBSK-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423091053 393650860 /nfs/dbraw/zinc/65/08/60/393650860.db2.gz ZBQSSBXIOWXQPV-AFAVFJNCSA-N 2 2 276.399 3.323 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423186026 393654004 /nfs/dbraw/zinc/65/40/04/393654004.db2.gz JUOQUSZOUDKHFA-IAGOWNOFSA-N 2 2 258.409 3.178 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423246101 393655558 /nfs/dbraw/zinc/65/55/58/393655558.db2.gz PFVLPXLYZBSIIG-KSSFIOAISA-N 2 2 290.451 3.215 20 0 CGADLP CCCCOCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361086648 393668741 /nfs/dbraw/zinc/66/87/41/393668741.db2.gz JVRGWLUMRKWQLH-UHFFFAOYSA-N 2 2 293.455 3.192 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948047 542828492 /nfs/dbraw/zinc/82/84/92/542828492.db2.gz RKFJXUITLQOMNT-KBMXLJTQSA-N 2 2 278.415 3.032 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000445820396 393828774 /nfs/dbraw/zinc/82/87/74/393828774.db2.gz USECWUGNSOUXGJ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000445820396 393828778 /nfs/dbraw/zinc/82/87/78/393828778.db2.gz USECWUGNSOUXGJ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(F)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000445820396 393828780 /nfs/dbraw/zinc/82/87/80/393828780.db2.gz USECWUGNSOUXGJ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(F)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000445820396 393828782 /nfs/dbraw/zinc/82/87/82/393828782.db2.gz USECWUGNSOUXGJ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000501994083 393865508 /nfs/dbraw/zinc/86/55/08/393865508.db2.gz JKLPARSYRJYBLT-PVAVHDDUSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000501994083 393865511 /nfs/dbraw/zinc/86/55/11/393865511.db2.gz JKLPARSYRJYBLT-PVAVHDDUSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000501994083 393865514 /nfs/dbraw/zinc/86/55/14/393865514.db2.gz JKLPARSYRJYBLT-PVAVHDDUSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000501994083 393865516 /nfs/dbraw/zinc/86/55/16/393865516.db2.gz JKLPARSYRJYBLT-PVAVHDDUSA-N 2 2 275.440 3.195 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000503017289 393889771 /nfs/dbraw/zinc/88/97/71/393889771.db2.gz UOBCJSVCSCFWGC-AOIWGVFYSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000503017289 393889775 /nfs/dbraw/zinc/88/97/75/393889775.db2.gz UOBCJSVCSCFWGC-AOIWGVFYSA-N 2 2 284.447 3.397 20 0 CGADLP Clc1cscc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968910 542830586 /nfs/dbraw/zinc/83/05/86/542830586.db2.gz IOYYJCIBTSJEJL-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968910 542830589 /nfs/dbraw/zinc/83/05/89/542830589.db2.gz IOYYJCIBTSJEJL-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCC3=CCCCC3)CC2)[nH+]1 ZINC000450579986 394023480 /nfs/dbraw/zinc/02/34/80/394023480.db2.gz LITXSDXFCMXMFX-UHFFFAOYSA-N 2 2 259.397 3.480 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+](C)C ZINC000453090524 394167738 /nfs/dbraw/zinc/16/77/38/394167738.db2.gz RLPJDXKSPSPJHM-WMZOPIPTSA-N 2 2 291.483 3.359 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cs1 ZINC000453194575 394201408 /nfs/dbraw/zinc/20/14/08/394201408.db2.gz NXIBQYCSWIUFJG-SCRDCRAPSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cs1 ZINC000453194575 394201411 /nfs/dbraw/zinc/20/14/11/394201411.db2.gz NXIBQYCSWIUFJG-SCRDCRAPSA-N 2 2 252.427 3.190 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000453210197 394206004 /nfs/dbraw/zinc/20/60/04/394206004.db2.gz MELAEGOIRAMLSU-SJORKVTESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000453210197 394206007 /nfs/dbraw/zinc/20/60/07/394206007.db2.gz MELAEGOIRAMLSU-SJORKVTESA-N 2 2 262.441 3.172 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000453253361 394221986 /nfs/dbraw/zinc/22/19/86/394221986.db2.gz HZCKCIPEDUZQPS-ZENOOKHLSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000453253361 394221989 /nfs/dbraw/zinc/22/19/89/394221989.db2.gz HZCKCIPEDUZQPS-ZENOOKHLSA-N 2 2 264.388 3.125 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]2CCCC[C@H]12 ZINC000667531884 542884824 /nfs/dbraw/zinc/88/48/24/542884824.db2.gz UKDAKJIUBVDZMN-BMFZPTHFSA-N 2 2 273.424 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]2CCCC[C@H]12 ZINC000667531884 542884825 /nfs/dbraw/zinc/88/48/25/542884825.db2.gz UKDAKJIUBVDZMN-BMFZPTHFSA-N 2 2 273.424 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)n1C ZINC000667642865 542902414 /nfs/dbraw/zinc/90/24/14/542902414.db2.gz MUORPSGWODFDHL-HNNXBMFYSA-N 2 2 273.380 3.439 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@H]2c2ccco2)n1C ZINC000667642865 542902416 /nfs/dbraw/zinc/90/24/16/542902416.db2.gz MUORPSGWODFDHL-HNNXBMFYSA-N 2 2 273.380 3.439 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)n1C ZINC000667675784 542914221 /nfs/dbraw/zinc/91/42/21/542914221.db2.gz WKEDVMQCCKONBV-SJCJKPOMSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1C ZINC000667960321 542950693 /nfs/dbraw/zinc/95/06/93/542950693.db2.gz JVQYTAMUNNGUQJ-QXPKXGMISA-N 2 2 281.403 3.406 20 0 CGADLP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667996504 542955352 /nfs/dbraw/zinc/95/53/52/542955352.db2.gz PMACCLQPBVFDBQ-IBGZPJMESA-N 2 2 295.430 3.427 20 0 CGADLP C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667996504 542955356 /nfs/dbraw/zinc/95/53/56/542955356.db2.gz PMACCLQPBVFDBQ-IBGZPJMESA-N 2 2 295.430 3.427 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)CCC[NH+]3CCCC3)[nH]c2c1 ZINC000668100467 542970788 /nfs/dbraw/zinc/97/07/88/542970788.db2.gz NLVMEWMTVUPYGV-UHFFFAOYSA-N 2 2 285.435 3.394 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)[nH]c2c1 ZINC000668100467 542970790 /nfs/dbraw/zinc/97/07/90/542970790.db2.gz NLVMEWMTVUPYGV-UHFFFAOYSA-N 2 2 285.435 3.394 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc21 ZINC000668168926 542979360 /nfs/dbraw/zinc/97/93/60/542979360.db2.gz DDUHGJCZSWCFSB-AWEZNQCLSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc21 ZINC000668168926 542979363 /nfs/dbraw/zinc/97/93/63/542979363.db2.gz DDUHGJCZSWCFSB-AWEZNQCLSA-N 2 2 294.402 3.199 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172039 542981178 /nfs/dbraw/zinc/98/11/78/542981178.db2.gz BXYSPUNPQOWXCW-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172039 542981179 /nfs/dbraw/zinc/98/11/79/542981179.db2.gz BXYSPUNPQOWXCW-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172039 542981183 /nfs/dbraw/zinc/98/11/83/542981183.db2.gz BXYSPUNPQOWXCW-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172039 542981186 /nfs/dbraw/zinc/98/11/86/542981186.db2.gz BXYSPUNPQOWXCW-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP CCCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCCC[C@H]1OC ZINC000668218307 542991405 /nfs/dbraw/zinc/99/14/05/542991405.db2.gz HUULAEQXGZQCRO-IAGOWNOFSA-N 2 2 293.455 3.288 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000668235539 542995602 /nfs/dbraw/zinc/99/56/02/542995602.db2.gz NKPUIIGNTPVJIY-MSOLQXFVSA-N 2 2 283.419 3.497 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275193 543001657 /nfs/dbraw/zinc/00/16/57/543001657.db2.gz UYQAIRIVEPPYAI-GDBMZVCRSA-N 2 2 287.451 3.478 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275193 543001660 /nfs/dbraw/zinc/00/16/60/543001660.db2.gz UYQAIRIVEPPYAI-GDBMZVCRSA-N 2 2 287.451 3.478 20 0 CGADLP CCC(O)(CC)C(C)(C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668475045 543018224 /nfs/dbraw/zinc/01/82/24/543018224.db2.gz KNJZFSMZPRSEFY-UHFFFAOYSA-N 2 2 292.467 3.490 20 0 CGADLP Cc1ccc(CCC[NH2+]C(C)(C2CC2)C2CC2)c[nH+]1 ZINC000668696261 543045267 /nfs/dbraw/zinc/04/52/67/543045267.db2.gz NDHUBDDJKOPWTK-UHFFFAOYSA-N 2 2 258.409 3.491 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708959 543121043 /nfs/dbraw/zinc/12/10/43/543121043.db2.gz ZGRXUHTZDIBUIR-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708959 543121047 /nfs/dbraw/zinc/12/10/47/543121047.db2.gz ZGRXUHTZDIBUIR-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708959 543121049 /nfs/dbraw/zinc/12/10/49/543121049.db2.gz ZGRXUHTZDIBUIR-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708959 543121051 /nfs/dbraw/zinc/12/10/51/543121051.db2.gz ZGRXUHTZDIBUIR-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000670154579 543141732 /nfs/dbraw/zinc/14/17/32/543141732.db2.gz WPYPCIXSPIWERC-SJORKVTESA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000670154579 543141735 /nfs/dbraw/zinc/14/17/35/543141735.db2.gz WPYPCIXSPIWERC-SJORKVTESA-N 2 2 264.457 3.275 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1nccc3ccccc31)CCCC2 ZINC000671194989 543162574 /nfs/dbraw/zinc/16/25/74/543162574.db2.gz MLTHIJLOQHUBOT-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000671304695 543168188 /nfs/dbraw/zinc/16/81/88/543168188.db2.gz ABQKNJBVWNCRSS-INIZCTEOSA-N 2 2 266.473 3.475 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000671304695 543168190 /nfs/dbraw/zinc/16/81/90/543168190.db2.gz ABQKNJBVWNCRSS-INIZCTEOSA-N 2 2 266.473 3.475 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000672807066 543228207 /nfs/dbraw/zinc/22/82/07/543228207.db2.gz ZLIPPQKLHFRZPJ-DHSIGJKJSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000672807066 543228208 /nfs/dbraw/zinc/22/82/08/543228208.db2.gz ZLIPPQKLHFRZPJ-DHSIGJKJSA-N 2 2 298.434 3.032 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916126 397609842 /nfs/dbraw/zinc/60/98/42/397609842.db2.gz MMSKNQMCXFSZMI-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916126 397609845 /nfs/dbraw/zinc/60/98/45/397609845.db2.gz MMSKNQMCXFSZMI-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCOC)c1ccccc1 ZINC000045017491 397621861 /nfs/dbraw/zinc/62/18/61/397621861.db2.gz AEJRVMCJNRLXFG-NVXWUHKLSA-N 2 2 278.440 3.084 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1cc[nH+]c(N)c1 ZINC000649820135 397728309 /nfs/dbraw/zinc/72/83/09/397728309.db2.gz SONDLIJPAJMWQO-UHFFFAOYSA-N 2 2 295.386 3.489 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1cc[nH+]c(N)c1 ZINC000649820135 397728311 /nfs/dbraw/zinc/72/83/11/397728311.db2.gz SONDLIJPAJMWQO-UHFFFAOYSA-N 2 2 295.386 3.489 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC000674863651 543300706 /nfs/dbraw/zinc/30/07/06/543300706.db2.gz NMBPUVAWRFMRCV-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC000674863651 543300709 /nfs/dbraw/zinc/30/07/09/543300709.db2.gz NMBPUVAWRFMRCV-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674753777 543295776 /nfs/dbraw/zinc/29/57/76/543295776.db2.gz NLFNFRDXWRSPNZ-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674753777 543295777 /nfs/dbraw/zinc/29/57/77/543295777.db2.gz NLFNFRDXWRSPNZ-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000675495442 543344309 /nfs/dbraw/zinc/34/43/09/543344309.db2.gz GUXXXDQJKUGJIV-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000675495442 543344312 /nfs/dbraw/zinc/34/43/12/543344312.db2.gz GUXXXDQJKUGJIV-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000675766580 543362217 /nfs/dbraw/zinc/36/22/17/543362217.db2.gz LVJMGHNLICSTPP-IJEWVQPXSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000675766580 543362219 /nfs/dbraw/zinc/36/22/19/543362219.db2.gz LVJMGHNLICSTPP-IJEWVQPXSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675766649 543362687 /nfs/dbraw/zinc/36/26/87/543362687.db2.gz NECSXIPJFSKPBI-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675766649 543362688 /nfs/dbraw/zinc/36/26/88/543362688.db2.gz NECSXIPJFSKPBI-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479364 543398934 /nfs/dbraw/zinc/39/89/34/543398934.db2.gz SDCDIFMZQFACCP-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479364 543398937 /nfs/dbraw/zinc/39/89/37/543398937.db2.gz SDCDIFMZQFACCP-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000677519857 543453484 /nfs/dbraw/zinc/45/34/84/543453484.db2.gz PNDGZHMQKXHRNO-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000677519857 543453485 /nfs/dbraw/zinc/45/34/85/543453485.db2.gz PNDGZHMQKXHRNO-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678076862 543481844 /nfs/dbraw/zinc/48/18/44/543481844.db2.gz GDDCANXQKUAJBO-CJNGLKHVSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678076862 543481845 /nfs/dbraw/zinc/48/18/45/543481845.db2.gz GDDCANXQKUAJBO-CJNGLKHVSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678076862 543481846 /nfs/dbraw/zinc/48/18/46/543481846.db2.gz GDDCANXQKUAJBO-CJNGLKHVSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678076862 543481848 /nfs/dbraw/zinc/48/18/48/543481848.db2.gz GDDCANXQKUAJBO-CJNGLKHVSA-N 2 2 276.399 3.229 20 0 CGADLP c1cn(C2CC[NH+](Cc3nccc4ccccc43)CC2)c[nH+]1 ZINC000678220644 543495337 /nfs/dbraw/zinc/49/53/37/543495337.db2.gz MOHGGJQKVRDUEZ-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)c[nH+]1 ZINC000678235895 543498090 /nfs/dbraw/zinc/49/80/90/543498090.db2.gz ZGQPLODGKAIDSF-OAHLLOKOSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3coc4ccccc34)C2)c[nH+]1 ZINC000678235895 543498092 /nfs/dbraw/zinc/49/80/92/543498092.db2.gz ZGQPLODGKAIDSF-OAHLLOKOSA-N 2 2 281.359 3.466 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234798 543498338 /nfs/dbraw/zinc/49/83/38/543498338.db2.gz LEJUZINBAYJLAJ-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234798 543498340 /nfs/dbraw/zinc/49/83/40/543498340.db2.gz LEJUZINBAYJLAJ-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000678235560 543498829 /nfs/dbraw/zinc/49/88/29/543498829.db2.gz VZROATUDGXBZAW-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000678235560 543498830 /nfs/dbraw/zinc/49/88/30/543498830.db2.gz VZROATUDGXBZAW-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000678235969 543499459 /nfs/dbraw/zinc/49/94/59/543499459.db2.gz RXFJTJVVWYQAGL-UYSNPLJNSA-N 2 2 261.413 3.346 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000678235969 543499461 /nfs/dbraw/zinc/49/94/61/543499461.db2.gz RXFJTJVVWYQAGL-UYSNPLJNSA-N 2 2 261.413 3.346 20 0 CGADLP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]cc1F ZINC000678788261 543558780 /nfs/dbraw/zinc/55/87/80/543558780.db2.gz HCZAMFRTLJIKEY-UHFFFAOYSA-N 2 2 287.382 3.097 20 0 CGADLP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)cc1 ZINC000678818995 543562253 /nfs/dbraw/zinc/56/22/53/543562253.db2.gz LYTMUWJKUNUPOY-KRWDZBQOSA-N 2 2 293.370 3.377 20 0 CGADLP Oc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)cc1 ZINC000678818995 543562256 /nfs/dbraw/zinc/56/22/56/543562256.db2.gz LYTMUWJKUNUPOY-KRWDZBQOSA-N 2 2 293.370 3.377 20 0 CGADLP CO[C@]1(C)CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888675 286160734 /nfs/dbraw/zinc/16/07/34/286160734.db2.gz ADMBYKIMOLQVLG-DLBZAZTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888675 286160735 /nfs/dbraw/zinc/16/07/35/286160735.db2.gz ADMBYKIMOLQVLG-DLBZAZTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450888675 286160736 /nfs/dbraw/zinc/16/07/36/286160736.db2.gz ADMBYKIMOLQVLG-DLBZAZTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450888675 286160737 /nfs/dbraw/zinc/16/07/37/286160737.db2.gz ADMBYKIMOLQVLG-DLBZAZTESA-N 2 2 282.472 3.140 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000493734652 292248378 /nfs/dbraw/zinc/24/83/78/292248378.db2.gz IQJLQLNMOQXOII-DCGLDWPTSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000493734652 292248383 /nfs/dbraw/zinc/24/83/83/292248383.db2.gz IQJLQLNMOQXOII-DCGLDWPTSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368101791 292261080 /nfs/dbraw/zinc/26/10/80/292261080.db2.gz LMWLUVDPGUROGR-QAPCUYQASA-N 2 2 281.403 3.316 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368101791 292261081 /nfs/dbraw/zinc/26/10/81/292261081.db2.gz LMWLUVDPGUROGR-QAPCUYQASA-N 2 2 281.403 3.316 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000353317648 286386367 /nfs/dbraw/zinc/38/63/67/286386367.db2.gz XJYSDVBJWXNNHA-KRWDZBQOSA-N 2 2 288.435 3.103 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000556583428 289398239 /nfs/dbraw/zinc/39/82/39/289398239.db2.gz ISJWYFWPAXKBLQ-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423110439 286733315 /nfs/dbraw/zinc/73/33/15/286733315.db2.gz IBMMWKVWCSTIHP-DYEKYZERSA-N 2 2 264.438 3.200 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423322651 286911838 /nfs/dbraw/zinc/91/18/38/286911838.db2.gz OBRWIQXOHMXTHR-UONOGXRCSA-N 2 2 282.815 3.127 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[NH+]2CCCCC2)c1 ZINC000049575035 286927869 /nfs/dbraw/zinc/92/78/69/286927869.db2.gz PZCRGSNYTVHSMK-KRWDZBQOSA-N 2 2 274.452 3.392 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073464 287049689 /nfs/dbraw/zinc/04/96/89/287049689.db2.gz RMZCLWLRDURNFT-WDMOLILDSA-N 2 2 276.355 3.363 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081637170 287075812 /nfs/dbraw/zinc/07/58/12/287075812.db2.gz NHTYGCKIDDSYDM-IAGOWNOFSA-N 2 2 264.457 3.277 20 0 CGADLP Clc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000075834236 165103490 /nfs/dbraw/zinc/10/34/90/165103490.db2.gz AKRANQNIWBVDKW-OAHLLOKOSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000075834236 165103497 /nfs/dbraw/zinc/10/34/97/165103497.db2.gz AKRANQNIWBVDKW-OAHLLOKOSA-N 2 2 293.842 3.043 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000080279264 165153458 /nfs/dbraw/zinc/15/34/58/165153458.db2.gz OFERSJUOZCPTCC-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000080279264 165153459 /nfs/dbraw/zinc/15/34/59/165153459.db2.gz OFERSJUOZCPTCC-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C12CCCCC2 ZINC000087295211 165187437 /nfs/dbraw/zinc/18/74/37/165187437.db2.gz LJSZLSFUAMWRNS-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000089553178 165209364 /nfs/dbraw/zinc/20/93/64/165209364.db2.gz CYEZEPRZUABFMX-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000090404433 165232524 /nfs/dbraw/zinc/23/25/24/165232524.db2.gz HTFYUPSLMCLANO-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CCOc1ccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000091811196 165273998 /nfs/dbraw/zinc/27/39/98/165273998.db2.gz RWDNILQFTAJYCM-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CCOc1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000091811196 165274001 /nfs/dbraw/zinc/27/40/01/165274001.db2.gz RWDNILQFTAJYCM-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000430696612 287107152 /nfs/dbraw/zinc/10/71/52/287107152.db2.gz QJEMMWVJIQMRIY-AYDFFVQHSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000430696612 287107153 /nfs/dbraw/zinc/10/71/53/287107153.db2.gz QJEMMWVJIQMRIY-AYDFFVQHSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000091307957 287107301 /nfs/dbraw/zinc/10/73/01/287107301.db2.gz BDXAXYNSWJXPJI-SJORKVTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000091307957 287107303 /nfs/dbraw/zinc/10/73/03/287107303.db2.gz BDXAXYNSWJXPJI-SJORKVTESA-N 2 2 258.409 3.130 20 0 CGADLP CC(C)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092648391 165307468 /nfs/dbraw/zinc/30/74/68/165307468.db2.gz UPPZNFZQQLEPLT-UHFFFAOYSA-N 2 2 290.436 3.300 20 0 CGADLP c1cn(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c[nH+]1 ZINC000092659237 287113303 /nfs/dbraw/zinc/11/33/03/287113303.db2.gz BLQRLACOCMCGGO-UHFFFAOYSA-N 2 2 288.420 3.054 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1c(C)noc1C ZINC000119117693 287165233 /nfs/dbraw/zinc/16/52/33/287165233.db2.gz KVLJVTFPIGXQMO-HNNXBMFYSA-N 2 2 279.428 3.208 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000284193285 196000591 /nfs/dbraw/zinc/00/05/91/196000591.db2.gz GFQIUUBVBMALIM-OAHLLOKOSA-N 2 2 287.407 3.413 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126929 171012453 /nfs/dbraw/zinc/01/24/53/171012453.db2.gz ZRMZBMZQGJYMBY-HNNXBMFYSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000020189258 171055069 /nfs/dbraw/zinc/05/50/69/171055069.db2.gz NBUXJNHZBOUTAJ-LBPRGKRZSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC000020252960 171104942 /nfs/dbraw/zinc/10/49/42/171104942.db2.gz DGQMJVJYXAMDIM-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cs1 ZINC000020252960 171104943 /nfs/dbraw/zinc/10/49/43/171104943.db2.gz DGQMJVJYXAMDIM-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Cl ZINC000020360997 171159419 /nfs/dbraw/zinc/15/94/19/171159419.db2.gz GIAHCGUCBZLYHK-LBPRGKRZSA-N 2 2 263.772 3.277 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506183 171228080 /nfs/dbraw/zinc/22/80/80/171228080.db2.gz NPPJFLSVBSWGIZ-OAHLLOKOSA-N 2 2 287.407 3.411 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000020506189 171228170 /nfs/dbraw/zinc/22/81/70/171228170.db2.gz JTJLBNQUYLBVFT-MRXNPFEDSA-N 2 2 273.380 3.023 20 0 CGADLP CC1(C)CC([NH2+]Cc2cc(F)ccc2F)CC(C)(C)[NH2+]1 ZINC000037233234 173052145 /nfs/dbraw/zinc/05/21/45/173052145.db2.gz SYDKBZDRFAOENV-UHFFFAOYSA-N 2 2 282.378 3.364 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000037249238 173060724 /nfs/dbraw/zinc/06/07/24/173060724.db2.gz XWMPEEFPPCAKTM-QGZVFWFLSA-N 2 2 270.376 3.053 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000037248990 173060732 /nfs/dbraw/zinc/06/07/32/173060732.db2.gz JQBJWJXBYHRRCL-GFCCVEGCSA-N 2 2 258.365 3.178 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038029054 174018929 /nfs/dbraw/zinc/01/89/29/174018929.db2.gz HVNMVLLVBNUMIT-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1F ZINC000127466117 287288613 /nfs/dbraw/zinc/28/86/13/287288613.db2.gz OWWHSGPBDMFTCM-CYBMUJFWSA-N 2 2 282.378 3.491 20 0 CGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cscn1 ZINC000040421190 174257773 /nfs/dbraw/zinc/25/77/73/174257773.db2.gz FTCHRWKYVAYTOQ-UHFFFAOYSA-N 2 2 289.448 3.275 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000040591782 174347851 /nfs/dbraw/zinc/34/78/51/174347851.db2.gz SHDUKSFJLNKLGX-ZDUSSCGKSA-N 2 2 286.341 3.137 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000040591782 174347853 /nfs/dbraw/zinc/34/78/53/174347853.db2.gz SHDUKSFJLNKLGX-ZDUSSCGKSA-N 2 2 286.341 3.137 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767450 174398491 /nfs/dbraw/zinc/39/84/91/174398491.db2.gz HAMXHQBJOCNDET-INIZCTEOSA-N 2 2 290.451 3.179 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127693880 287293830 /nfs/dbraw/zinc/29/38/30/287293830.db2.gz BYQYPWXBWVQGJF-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000043326558 175008348 /nfs/dbraw/zinc/00/83/48/175008348.db2.gz SLXWLJYGVXKEHR-ZWNOBZJWSA-N 2 2 272.314 3.108 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]C1CCCCCC1 ZINC000043596113 175076786 /nfs/dbraw/zinc/07/67/86/175076786.db2.gz DNEYUSOIRYGMEL-QGZVFWFLSA-N 2 2 258.409 3.186 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC000044539868 175200632 /nfs/dbraw/zinc/20/06/32/175200632.db2.gz GYRUSHGOKAIVNR-QGZVFWFLSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC000044539868 175200633 /nfs/dbraw/zinc/20/06/33/175200633.db2.gz GYRUSHGOKAIVNR-QGZVFWFLSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000049553507 175487780 /nfs/dbraw/zinc/48/77/80/175487780.db2.gz PLOIWXWVQUZDNE-JTQLQIEISA-N 2 2 275.223 3.423 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000063191418 175683840 /nfs/dbraw/zinc/68/38/40/175683840.db2.gz VVQRKFKULFTPBP-SWLSCSKDSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000063191418 175683842 /nfs/dbraw/zinc/68/38/42/175683842.db2.gz VVQRKFKULFTPBP-SWLSCSKDSA-N 2 2 258.365 3.135 20 0 CGADLP CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000070737513 176004063 /nfs/dbraw/zinc/00/40/63/176004063.db2.gz OLFWJXQEZGMAHV-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@@H+]1C1CC1 ZINC000128874400 287320047 /nfs/dbraw/zinc/32/00/47/287320047.db2.gz FOBLLZSWFPNYEU-IKWCTNDRSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@H+]1C1CC1 ZINC000128874400 287320049 /nfs/dbraw/zinc/32/00/49/287320049.db2.gz FOBLLZSWFPNYEU-IKWCTNDRSA-N 2 2 290.373 3.322 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC23CCCCC3)n1C ZINC000313017385 416533113 /nfs/dbraw/zinc/53/31/13/416533113.db2.gz KNUDTWUSQWTATE-OAHLLOKOSA-N 2 2 290.455 3.079 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000122289973 416503259 /nfs/dbraw/zinc/50/32/59/416503259.db2.gz YDEVGBJBPITMKM-OCCSQVGLSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000122289973 416503262 /nfs/dbraw/zinc/50/32/62/416503262.db2.gz YDEVGBJBPITMKM-OCCSQVGLSA-N 2 2 297.240 3.008 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679574292 543647110 /nfs/dbraw/zinc/64/71/10/543647110.db2.gz HAUMZZZBDYCCGF-UHFFFAOYSA-N 2 2 290.329 3.094 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130211567 287347386 /nfs/dbraw/zinc/34/73/86/287347386.db2.gz BINOTKPFSCGMBM-RDJZCZTQSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130211567 287347387 /nfs/dbraw/zinc/34/73/87/287347387.db2.gz BINOTKPFSCGMBM-RDJZCZTQSA-N 2 2 260.425 3.438 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461019 543711760 /nfs/dbraw/zinc/71/17/60/543711760.db2.gz DOZJDGAXRLQABR-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461019 543711763 /nfs/dbraw/zinc/71/17/63/543711763.db2.gz DOZJDGAXRLQABR-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130596833 287358884 /nfs/dbraw/zinc/35/88/84/287358884.db2.gz HSSWBDRJWIOYGC-IFXJQAMLSA-N 2 2 291.398 3.400 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000681090016 543764123 /nfs/dbraw/zinc/76/41/23/543764123.db2.gz JLMUVDUKIBYGFZ-IBGZPJMESA-N 2 2 286.463 3.426 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000681090016 543764126 /nfs/dbraw/zinc/76/41/26/543764126.db2.gz JLMUVDUKIBYGFZ-IBGZPJMESA-N 2 2 286.463 3.426 20 0 CGADLP Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC000130798462 287363475 /nfs/dbraw/zinc/36/34/75/287363475.db2.gz XPRGZVAJSSNILZ-UHFFFAOYSA-N 2 2 283.375 3.012 20 0 CGADLP C[NH+](C)CCc1ccccc1NCc1c[nH+]c2ccccn12 ZINC000682088256 543825376 /nfs/dbraw/zinc/82/53/76/543825376.db2.gz XWXOYUFKBFFNGD-UHFFFAOYSA-N 2 2 294.402 3.051 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC000130737922 287361984 /nfs/dbraw/zinc/36/19/84/287361984.db2.gz JWWVPLYAEABFRK-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC000130737922 287361987 /nfs/dbraw/zinc/36/19/87/287361987.db2.gz JWWVPLYAEABFRK-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681743456 543805562 /nfs/dbraw/zinc/80/55/62/543805562.db2.gz NKCHELYUXNUTHI-QIIPPGSGSA-N 2 2 281.403 3.111 20 0 CGADLP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000682151206 543829304 /nfs/dbraw/zinc/82/93/04/543829304.db2.gz KHYDSULYBYDDGI-ZDUSSCGKSA-N 2 2 280.843 3.470 20 0 CGADLP c1cn(CC[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000131827068 287390373 /nfs/dbraw/zinc/39/03/73/287390373.db2.gz HLXXEBSWOUFQKH-SFHVURJKSA-N 2 2 281.403 3.425 20 0 CGADLP c1cn(CC[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000131827068 287390374 /nfs/dbraw/zinc/39/03/74/287390374.db2.gz HLXXEBSWOUFQKH-SFHVURJKSA-N 2 2 281.403 3.425 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH]1 ZINC000684020855 543961216 /nfs/dbraw/zinc/96/12/16/543961216.db2.gz KYMJMDYOCNVGJE-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP CN(C)c1ccc(CNc2cc[nH+]c3c(O)cccc23)c[nH+]1 ZINC000684568428 544014951 /nfs/dbraw/zinc/01/49/51/544014951.db2.gz GTTRQSDRGIVMSM-UHFFFAOYSA-N 2 2 294.358 3.014 20 0 CGADLP COc1ccc(C)cc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684367700 543986529 /nfs/dbraw/zinc/98/65/29/543986529.db2.gz HOMNZOSHZJSKJL-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684376650 543988693 /nfs/dbraw/zinc/98/86/93/543988693.db2.gz MKRRLZJXJIQMBR-IXDOHACOSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684376650 543988696 /nfs/dbraw/zinc/98/86/96/543988696.db2.gz MKRRLZJXJIQMBR-IXDOHACOSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000684377824 543989021 /nfs/dbraw/zinc/98/90/21/543989021.db2.gz GHFCIEQYVDOAPX-LPHOPBHVSA-N 2 2 298.430 3.077 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000684394843 543992940 /nfs/dbraw/zinc/99/29/40/543992940.db2.gz LYGHLYTVIHBYJB-BZZMCLGOSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449045 544072577 /nfs/dbraw/zinc/07/25/77/544072577.db2.gz SNDOXMKUWRYXBF-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449045 544072579 /nfs/dbraw/zinc/07/25/79/544072579.db2.gz SNDOXMKUWRYXBF-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP CC1CC([NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000685468095 544077164 /nfs/dbraw/zinc/07/71/64/544077164.db2.gz JCTNZCIRPLIEQU-LVPSWPKJSA-N 2 2 281.403 3.500 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471121 544078537 /nfs/dbraw/zinc/07/85/37/544078537.db2.gz NITKUCKSWJFHLM-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471121 544078538 /nfs/dbraw/zinc/07/85/38/544078538.db2.gz NITKUCKSWJFHLM-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cscc2Cl)C1 ZINC000685471121 544078540 /nfs/dbraw/zinc/07/85/40/544078540.db2.gz NITKUCKSWJFHLM-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cscc2Cl)C1 ZINC000685471121 544078543 /nfs/dbraw/zinc/07/85/43/544078543.db2.gz NITKUCKSWJFHLM-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000135611551 287472819 /nfs/dbraw/zinc/47/28/19/287472819.db2.gz BVCYHQPWKAMELK-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136068286 287478654 /nfs/dbraw/zinc/47/86/54/287478654.db2.gz AZHZAUQIZXCPRE-UHFFFAOYSA-N 2 2 276.355 3.079 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([C@H]3CCCO3)CC2)c[nH+]1 ZINC000354930193 227244160 /nfs/dbraw/zinc/24/41/60/227244160.db2.gz WXPCKPCOESQEGB-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222780 418937899 /nfs/dbraw/zinc/93/78/99/418937899.db2.gz XTZYENWZGCTWNQ-HNNXBMFYSA-N 2 2 277.456 3.273 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222780 418937900 /nfs/dbraw/zinc/93/79/00/418937900.db2.gz XTZYENWZGCTWNQ-HNNXBMFYSA-N 2 2 277.456 3.273 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000659909564 419031381 /nfs/dbraw/zinc/03/13/81/419031381.db2.gz OCTDLNLIPYCVMI-ZJPYXAASSA-N 2 2 276.468 3.373 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000659909564 419031385 /nfs/dbraw/zinc/03/13/85/419031385.db2.gz OCTDLNLIPYCVMI-ZJPYXAASSA-N 2 2 276.468 3.373 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820787 419010192 /nfs/dbraw/zinc/01/01/92/419010192.db2.gz ASWDZVXTLVJJST-INIZCTEOSA-N 2 2 284.407 3.060 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664820787 419010196 /nfs/dbraw/zinc/01/01/96/419010196.db2.gz ASWDZVXTLVJJST-INIZCTEOSA-N 2 2 284.407 3.060 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833970 419012845 /nfs/dbraw/zinc/01/28/45/419012845.db2.gz VVSXNCOYWLBHTH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833970 419012847 /nfs/dbraw/zinc/01/28/47/419012847.db2.gz VVSXNCOYWLBHTH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833970 419012850 /nfs/dbraw/zinc/01/28/50/419012850.db2.gz VVSXNCOYWLBHTH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833970 419012852 /nfs/dbraw/zinc/01/28/52/419012852.db2.gz VVSXNCOYWLBHTH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CCCC1 ZINC000665248587 419092083 /nfs/dbraw/zinc/09/20/83/419092083.db2.gz ZSKBFGFOXMBRLB-KRWDZBQOSA-N 2 2 299.393 3.171 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655772902 419093331 /nfs/dbraw/zinc/09/33/31/419093331.db2.gz NJQUPVAVHKPNHW-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655858929 419124531 /nfs/dbraw/zinc/12/45/31/419124531.db2.gz BOBYSTHNRKVAIK-VJANTYMQSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655858929 419124536 /nfs/dbraw/zinc/12/45/36/419124536.db2.gz BOBYSTHNRKVAIK-VJANTYMQSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000665257757 419095775 /nfs/dbraw/zinc/09/57/75/419095775.db2.gz SZUPCDUNNLHDGF-FSPWUOQZSA-N 2 2 299.393 3.017 20 0 CGADLP COc1ccc2cc(C[NH2+]C3CC([NH+](C)C)C3)ccc2c1 ZINC000655790877 419098708 /nfs/dbraw/zinc/09/87/08/419098708.db2.gz XBPDMKQVBRZDJE-UHFFFAOYSA-N 2 2 284.403 3.031 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000665276491 419100025 /nfs/dbraw/zinc/10/00/25/419100025.db2.gz DSRJKPICVYCLKH-IFQILLTASA-N 2 2 284.325 3.108 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cs1 ZINC000665281607 419102871 /nfs/dbraw/zinc/10/28/71/419102871.db2.gz HTPAUTSUHBIVDR-NWDGAFQWSA-N 2 2 269.458 3.291 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)n2c1 ZINC000655811109 419103089 /nfs/dbraw/zinc/10/30/89/419103089.db2.gz HYMZCNFGQOUPOX-WMZOPIPTSA-N 2 2 299.418 3.080 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H]2CC2CCCC2)c[nH+]1 ZINC000653892521 419104044 /nfs/dbraw/zinc/10/40/44/419104044.db2.gz IUPVEHIDKGNQKL-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H]2CC2CCCC2)c[nH+]1 ZINC000653892521 419104046 /nfs/dbraw/zinc/10/40/46/419104046.db2.gz IUPVEHIDKGNQKL-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000665294229 419107852 /nfs/dbraw/zinc/10/78/52/419107852.db2.gz KUVYXZDXGQGRHZ-CABCVRRESA-N 2 2 278.440 3.370 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000665296573 419108311 /nfs/dbraw/zinc/10/83/11/419108311.db2.gz UVEPCYDISKIYNX-BXKDBHETSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000665296115 419108862 /nfs/dbraw/zinc/10/88/62/419108862.db2.gz MVSZBEAMYKTFSL-SMDDNHRTSA-N 2 2 254.805 3.235 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000665296342 419109007 /nfs/dbraw/zinc/10/90/07/419109007.db2.gz RHBFUULCOIJWSF-SMDDNHRTSA-N 2 2 274.433 3.476 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000665296277 419109038 /nfs/dbraw/zinc/10/90/38/419109038.db2.gz PUOPDVJXJRWYRU-BXUZGUMPSA-N 2 2 282.815 3.060 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)n1 ZINC000655849168 419120360 /nfs/dbraw/zinc/12/03/60/419120360.db2.gz PTPSPWDBCLOKAP-CGTJXYLNSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000655849168 419120363 /nfs/dbraw/zinc/12/03/63/419120363.db2.gz PTPSPWDBCLOKAP-CGTJXYLNSA-N 2 2 287.451 3.366 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849694 419120703 /nfs/dbraw/zinc/12/07/03/419120703.db2.gz PJMSNEDZKSXRNL-VNQPRFMTSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849694 419120706 /nfs/dbraw/zinc/12/07/06/419120706.db2.gz PJMSNEDZKSXRNL-VNQPRFMTSA-N 2 2 278.465 3.286 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655858928 419125397 /nfs/dbraw/zinc/12/53/97/419125397.db2.gz BOBYSTHNRKVAIK-OKYOBFRVSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655858928 419125402 /nfs/dbraw/zinc/12/54/02/419125402.db2.gz BOBYSTHNRKVAIK-OKYOBFRVSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000655856353 419123012 /nfs/dbraw/zinc/12/30/12/419123012.db2.gz MXXYNUKWELOZEO-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000655856353 419123016 /nfs/dbraw/zinc/12/30/16/419123016.db2.gz MXXYNUKWELOZEO-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000653690280 419071489 /nfs/dbraw/zinc/07/14/89/419071489.db2.gz IQLYKOALMKGZJC-MRXNPFEDSA-N 2 2 292.467 3.062 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000653690280 419071493 /nfs/dbraw/zinc/07/14/93/419071493.db2.gz IQLYKOALMKGZJC-MRXNPFEDSA-N 2 2 292.467 3.062 20 0 CGADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719408 419075699 /nfs/dbraw/zinc/07/56/99/419075699.db2.gz SPRSHQYEWZNDSN-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660115642 419079674 /nfs/dbraw/zinc/07/96/74/419079674.db2.gz YMVAMESYBPVSBQ-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660115642 419079675 /nfs/dbraw/zinc/07/96/75/419079675.db2.gz YMVAMESYBPVSBQ-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC000660415224 419139243 /nfs/dbraw/zinc/13/92/43/419139243.db2.gz CCIZJAYHAKQALI-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC000660415224 419139246 /nfs/dbraw/zinc/13/92/46/419139246.db2.gz CCIZJAYHAKQALI-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473300 419150366 /nfs/dbraw/zinc/15/03/66/419150366.db2.gz FTNVFYVXKKAJQY-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473300 419150367 /nfs/dbraw/zinc/15/03/67/419150367.db2.gz FTNVFYVXKKAJQY-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@@H]1c1ccccc1 ZINC000660490438 419152666 /nfs/dbraw/zinc/15/26/66/419152666.db2.gz SWYPHIBLGPWHRL-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@@H]1c1ccccc1 ZINC000660490438 419152667 /nfs/dbraw/zinc/15/26/67/419152667.db2.gz SWYPHIBLGPWHRL-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)c1O ZINC000656279507 419165052 /nfs/dbraw/zinc/16/50/52/419165052.db2.gz YGOMJTYTNFOWFE-DLBZAZTESA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(C)c1O ZINC000656279507 419165054 /nfs/dbraw/zinc/16/50/54/419165054.db2.gz YGOMJTYTNFOWFE-DLBZAZTESA-N 2 2 288.435 3.116 20 0 CGADLP C[C@H](c1ccccn1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674799 419181110 /nfs/dbraw/zinc/18/11/10/419181110.db2.gz JPQXGULFNGMRMV-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000666088758 419188908 /nfs/dbraw/zinc/18/89/08/419188908.db2.gz QBRJPRJGRLGCGJ-ZIAGYGMSSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666088758 419188911 /nfs/dbraw/zinc/18/89/11/419188911.db2.gz QBRJPRJGRLGCGJ-ZIAGYGMSSA-N 2 2 290.838 3.024 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655857199 419125822 /nfs/dbraw/zinc/12/58/22/419125822.db2.gz SOWYLSDCSIDOGM-MSOLQXFVSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655857199 419125825 /nfs/dbraw/zinc/12/58/25/419125825.db2.gz SOWYLSDCSIDOGM-MSOLQXFVSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC4(CCCC4)O3)n2c1 ZINC000655863768 419126479 /nfs/dbraw/zinc/12/64/79/419126479.db2.gz PMAAAPWLRWMWCW-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCSc3ccccc31)CCC2 ZINC000657292447 419244242 /nfs/dbraw/zinc/24/42/42/419244242.db2.gz OEFJVOCMZHUDQE-CQSZACIVSA-N 2 2 285.416 3.156 20 0 CGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657326906 419250667 /nfs/dbraw/zinc/25/06/67/419250667.db2.gz HKHAHKDAWIMSAD-HNNXBMFYSA-N 2 2 299.418 3.003 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345898 419255798 /nfs/dbraw/zinc/25/57/98/419255798.db2.gz TZRROVJOWZCDLO-UKRRQHHQSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cscn1 ZINC000661422471 419258492 /nfs/dbraw/zinc/25/84/92/419258492.db2.gz ZMKAGJPSIUOCMR-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP CCCCOc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656784997 419218654 /nfs/dbraw/zinc/21/86/54/419218654.db2.gz IPHVAYWUDQTLBT-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656784997 419218655 /nfs/dbraw/zinc/21/86/55/419218655.db2.gz IPHVAYWUDQTLBT-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656788892 419220384 /nfs/dbraw/zinc/22/03/84/419220384.db2.gz ISAJNFVFCUNMRZ-RTBURBONSA-N 2 2 280.415 3.230 20 0 CGADLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)c(F)c1 ZINC000657390830 419268196 /nfs/dbraw/zinc/26/81/96/419268196.db2.gz JINBQPJJKMKXMV-UHFFFAOYSA-N 2 2 291.345 3.132 20 0 CGADLP CC(C)(c1ccccc1)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657485680 419290557 /nfs/dbraw/zinc/29/05/57/419290557.db2.gz PRKRPYGDEMOJFR-UHFFFAOYSA-N 2 2 295.430 3.429 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)C1=CCCC1 ZINC000657486525 419290937 /nfs/dbraw/zinc/29/09/37/419290937.db2.gz DCHBLKQXOJPESS-UHFFFAOYSA-N 2 2 259.397 3.055 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000657501785 419296029 /nfs/dbraw/zinc/29/60/29/419296029.db2.gz ZFASJYXKDZUOBG-HNNXBMFYSA-N 2 2 273.355 3.209 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000657523428 419297274 /nfs/dbraw/zinc/29/72/74/419297274.db2.gz ICBLWJCHRDSPTB-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000657523428 419297276 /nfs/dbraw/zinc/29/72/76/419297276.db2.gz ICBLWJCHRDSPTB-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525635 419297604 /nfs/dbraw/zinc/29/76/04/419297604.db2.gz UQVXPPGPLWFXSI-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525635 419297606 /nfs/dbraw/zinc/29/76/06/419297606.db2.gz UQVXPPGPLWFXSI-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000657527043 419298515 /nfs/dbraw/zinc/29/85/15/419298515.db2.gz PJJFUVSBJQDJOX-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000657527043 419298518 /nfs/dbraw/zinc/29/85/18/419298518.db2.gz PJJFUVSBJQDJOX-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000657527324 419298580 /nfs/dbraw/zinc/29/85/80/419298580.db2.gz SRVYFICNAZYAMR-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000657527324 419298582 /nfs/dbraw/zinc/29/85/82/419298582.db2.gz SRVYFICNAZYAMR-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000657526829 419298896 /nfs/dbraw/zinc/29/88/96/419298896.db2.gz MIAFXTTZQCFRGI-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000657526829 419298898 /nfs/dbraw/zinc/29/88/98/419298898.db2.gz MIAFXTTZQCFRGI-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562397 419306859 /nfs/dbraw/zinc/30/68/59/419306859.db2.gz HUGVJCCEWCDXEW-CJNGLKHVSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562397 419306862 /nfs/dbraw/zinc/30/68/62/419306862.db2.gz HUGVJCCEWCDXEW-CJNGLKHVSA-N 2 2 278.415 3.392 20 0 CGADLP Cc1cc[nH+]c(NCc2c[nH+]c3n2CCC3)c1C1CC1 ZINC000657612286 419313662 /nfs/dbraw/zinc/31/36/62/419313662.db2.gz LTSPIMFMWMBLSK-UHFFFAOYSA-N 2 2 268.364 3.022 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCN(C)c2ccccc2)c[nH+]1 ZINC000353653708 228139943 /nfs/dbraw/zinc/13/99/43/228139943.db2.gz IMENXIKTVPTGCY-UHFFFAOYSA-N 2 2 297.446 3.391 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCN(C)c2ccccc2)c[nH+]1 ZINC000353653708 228139945 /nfs/dbraw/zinc/13/99/45/228139945.db2.gz IMENXIKTVPTGCY-UHFFFAOYSA-N 2 2 297.446 3.391 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657741091 419335063 /nfs/dbraw/zinc/33/50/63/419335063.db2.gz CEZNXCBAEXIHOQ-JXQTWKCFSA-N 2 2 292.389 3.429 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657741091 419335066 /nfs/dbraw/zinc/33/50/66/419335066.db2.gz CEZNXCBAEXIHOQ-JXQTWKCFSA-N 2 2 292.389 3.429 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000657742368 419335946 /nfs/dbraw/zinc/33/59/46/419335946.db2.gz QXKCJAVNGDKIKS-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000657742368 419335948 /nfs/dbraw/zinc/33/59/48/419335948.db2.gz QXKCJAVNGDKIKS-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CCOc1ccc(NCc2cn3cc(C)ccc3[nH+]2)[nH+]c1C ZINC000657796598 419358515 /nfs/dbraw/zinc/35/85/15/419358515.db2.gz WSHITBBGXRYMAO-UHFFFAOYSA-N 2 2 296.374 3.357 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662202551 419358660 /nfs/dbraw/zinc/35/86/60/419358660.db2.gz VBRVTGNFAREWKX-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662202551 419358663 /nfs/dbraw/zinc/35/86/63/419358663.db2.gz VBRVTGNFAREWKX-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000657870552 419395476 /nfs/dbraw/zinc/39/54/76/419395476.db2.gz FIGZRLSXXLNVQA-SWLSCSKDSA-N 2 2 268.832 3.201 20 0 CGADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000662544159 419452528 /nfs/dbraw/zinc/45/25/28/419452528.db2.gz YWUPZOQRZMNXPU-HNNXBMFYSA-N 2 2 299.374 3.119 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000658059806 419530601 /nfs/dbraw/zinc/53/06/01/419530601.db2.gz XABWFPAPRYLYPY-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000658059806 419530606 /nfs/dbraw/zinc/53/06/06/419530606.db2.gz XABWFPAPRYLYPY-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347772 419566320 /nfs/dbraw/zinc/56/63/20/419566320.db2.gz UXCGECKSNFNGMV-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347772 419566325 /nfs/dbraw/zinc/56/63/25/419566325.db2.gz UXCGECKSNFNGMV-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccncc2s1 ZINC000658019961 419496911 /nfs/dbraw/zinc/49/69/11/419496911.db2.gz PSLPFEPDMZNVLL-CMPLNLGQSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccncc2s1 ZINC000658019961 419496917 /nfs/dbraw/zinc/49/69/17/419496917.db2.gz PSLPFEPDMZNVLL-CMPLNLGQSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095657 419573077 /nfs/dbraw/zinc/57/30/77/419573077.db2.gz JYCHBPOEKMDVFJ-HIFRSBDPSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095657 419573081 /nfs/dbraw/zinc/57/30/81/419573081.db2.gz JYCHBPOEKMDVFJ-HIFRSBDPSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000658097192 419578360 /nfs/dbraw/zinc/57/83/60/419578360.db2.gz VUJNFLMDSQLABP-RBSFLKMASA-N 2 2 282.472 3.041 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000658097192 419578365 /nfs/dbraw/zinc/57/83/65/419578365.db2.gz VUJNFLMDSQLABP-RBSFLKMASA-N 2 2 282.472 3.041 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663450419 419604972 /nfs/dbraw/zinc/60/49/72/419604972.db2.gz YWMIGPLJFBFYIK-AWEZNQCLSA-N 2 2 267.376 3.192 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000663450419 419604979 /nfs/dbraw/zinc/60/49/79/419604979.db2.gz YWMIGPLJFBFYIK-AWEZNQCLSA-N 2 2 267.376 3.192 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221614 419676530 /nfs/dbraw/zinc/67/65/30/419676530.db2.gz SRTPMDSLOBMNSS-HZPDHXFCSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221614 419676541 /nfs/dbraw/zinc/67/65/41/419676541.db2.gz SRTPMDSLOBMNSS-HZPDHXFCSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658221099 419677014 /nfs/dbraw/zinc/67/70/14/419677014.db2.gz SWKNYIVXZRIZGV-IIDMSEBBSA-N 2 2 299.418 3.481 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285313 419735000 /nfs/dbraw/zinc/73/50/00/419735000.db2.gz JWAJCGHJRPDRPF-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285313 419735010 /nfs/dbraw/zinc/73/50/10/419735010.db2.gz JWAJCGHJRPDRPF-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287289 419739363 /nfs/dbraw/zinc/73/93/63/419739363.db2.gz YSBVRSZYEPGNGC-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287289 419739370 /nfs/dbraw/zinc/73/93/70/419739370.db2.gz YSBVRSZYEPGNGC-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c[nH+]c12 ZINC000180367483 260099363 /nfs/dbraw/zinc/09/93/63/260099363.db2.gz YHBTVAZAGTYDNJ-AWEZNQCLSA-N 2 2 287.407 3.078 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000221160075 260156699 /nfs/dbraw/zinc/15/66/99/260156699.db2.gz LYWGJVMULIQQEY-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000221160075 260156700 /nfs/dbraw/zinc/15/67/00/260156700.db2.gz LYWGJVMULIQQEY-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP CCCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325812 270029283 /nfs/dbraw/zinc/02/92/83/270029283.db2.gz XRYFPIGQTMBKJT-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325812 270029284 /nfs/dbraw/zinc/02/92/84/270029284.db2.gz XRYFPIGQTMBKJT-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)C1CCCCC1 ZINC000037319585 270029379 /nfs/dbraw/zinc/02/93/79/270029379.db2.gz QIKRLLUGWOFKJW-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105542 270038270 /nfs/dbraw/zinc/03/82/70/270038270.db2.gz KHGXDJQQXUMTDX-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000045105613 270038307 /nfs/dbraw/zinc/03/83/07/270038307.db2.gz CCQBPOISCWECRF-ZDUSSCGKSA-N 2 2 291.370 3.162 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000187746504 270069194 /nfs/dbraw/zinc/06/91/94/270069194.db2.gz YYJSTJOHOMARNQ-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000187746504 270069195 /nfs/dbraw/zinc/06/91/95/270069195.db2.gz YYJSTJOHOMARNQ-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000192176898 270077012 /nfs/dbraw/zinc/07/70/12/270077012.db2.gz ICFYNDJCUGRVGV-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000192176898 270077013 /nfs/dbraw/zinc/07/70/13/270077013.db2.gz ICFYNDJCUGRVGV-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000223075400 270086357 /nfs/dbraw/zinc/08/63/57/270086357.db2.gz RIOOXEZETFTOTH-RHSMWYFYSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000223075400 270086358 /nfs/dbraw/zinc/08/63/58/270086358.db2.gz RIOOXEZETFTOTH-RHSMWYFYSA-N 2 2 260.425 3.456 20 0 CGADLP Clc1sccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000312623083 270092464 /nfs/dbraw/zinc/09/24/64/270092464.db2.gz XOYRTKNAXXNTJH-UHFFFAOYSA-N 2 2 269.801 3.168 20 0 CGADLP CC(C)CCC[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000525874684 270120406 /nfs/dbraw/zinc/12/04/06/270120406.db2.gz SVILCOIITJFMJF-KRWDZBQOSA-N 2 2 262.441 3.185 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000526112769 270122867 /nfs/dbraw/zinc/12/28/67/270122867.db2.gz JXXYXWUGQYYPLT-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000526112769 270122868 /nfs/dbraw/zinc/12/28/68/270122868.db2.gz JXXYXWUGQYYPLT-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(CCC[N@H+](Cc2ccccc2)C[C@H](C)O)c[nH+]1 ZINC000527218751 270126971 /nfs/dbraw/zinc/12/69/71/270126971.db2.gz KKRFPQVLPFPFSS-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1ccc(CCC[N@@H+](Cc2ccccc2)C[C@H](C)O)c[nH+]1 ZINC000527218751 270126972 /nfs/dbraw/zinc/12/69/72/270126972.db2.gz KKRFPQVLPFPFSS-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1ccc(CCC[N@H+](Cc2ccccc2)C[C@@H](C)O)c[nH+]1 ZINC000527218752 270127140 /nfs/dbraw/zinc/12/71/40/270127140.db2.gz KKRFPQVLPFPFSS-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1ccc(CCC[N@@H+](Cc2ccccc2)C[C@@H](C)O)c[nH+]1 ZINC000527218752 270127141 /nfs/dbraw/zinc/12/71/41/270127141.db2.gz KKRFPQVLPFPFSS-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000527359071 270127877 /nfs/dbraw/zinc/12/78/77/270127877.db2.gz GCMHOBDPEXDZJU-XZKMEQPCSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000527359071 270127878 /nfs/dbraw/zinc/12/78/78/270127878.db2.gz GCMHOBDPEXDZJU-XZKMEQPCSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527636450 270130286 /nfs/dbraw/zinc/13/02/86/270130286.db2.gz TZFYCUPKERPVCK-JVPBZIDWSA-N 2 2 295.430 3.456 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701996 270132594 /nfs/dbraw/zinc/13/25/94/270132594.db2.gz WQPOLBUKYCCSPY-STECZYCISA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701996 270132595 /nfs/dbraw/zinc/13/25/95/270132595.db2.gz WQPOLBUKYCCSPY-STECZYCISA-N 2 2 262.441 3.028 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)n2c1 ZINC000527739945 270133575 /nfs/dbraw/zinc/13/35/75/270133575.db2.gz OUTGRHZQWRMITD-QLFBSQMISA-N 2 2 269.392 3.169 20 0 CGADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527858904 270140431 /nfs/dbraw/zinc/14/04/31/270140431.db2.gz NAAXKQOCMYBWSQ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP CCC[N@H+]1CC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527858904 270140432 /nfs/dbraw/zinc/14/04/32/270140432.db2.gz NAAXKQOCMYBWSQ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000528002766 270149981 /nfs/dbraw/zinc/14/99/81/270149981.db2.gz QTWJHUNHQHCGHC-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C ZINC000528002766 270149982 /nfs/dbraw/zinc/14/99/82/270149982.db2.gz QTWJHUNHQHCGHC-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(C)n1 ZINC000528013713 270151590 /nfs/dbraw/zinc/15/15/90/270151590.db2.gz TVGDCGZSKMAWNK-WMLDXEAASA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(C)n1 ZINC000528013713 270151591 /nfs/dbraw/zinc/15/15/91/270151591.db2.gz TVGDCGZSKMAWNK-WMLDXEAASA-N 2 2 287.451 3.366 20 0 CGADLP C/C(Cl)=C\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387740 270163653 /nfs/dbraw/zinc/16/36/53/270163653.db2.gz MXDVLULBXYEFEI-BLXFFLACSA-N 2 2 256.821 3.079 20 0 CGADLP C/C(Cl)=C\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387740 270163654 /nfs/dbraw/zinc/16/36/54/270163654.db2.gz MXDVLULBXYEFEI-BLXFFLACSA-N 2 2 256.821 3.079 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1C(F)(F)F ZINC000529530369 270182459 /nfs/dbraw/zinc/18/24/59/270182459.db2.gz FGZLGPNXLLIBJF-SECBINFHSA-N 2 2 289.326 3.142 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529529649 270182486 /nfs/dbraw/zinc/18/24/86/270182486.db2.gz BCOVXWGUEQBVDX-FRRDWIJNSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529529649 270182487 /nfs/dbraw/zinc/18/24/87/270182487.db2.gz BCOVXWGUEQBVDX-FRRDWIJNSA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000529637450 270186578 /nfs/dbraw/zinc/18/65/78/270186578.db2.gz ADQVOBMVSOTPEZ-IXDOHACOSA-N 2 2 258.409 3.348 20 0 CGADLP c1coc(CC2C[NH+](Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000529648403 270187148 /nfs/dbraw/zinc/18/71/48/270187148.db2.gz BQCNPKVHEKQXKJ-UHFFFAOYSA-N 2 2 299.399 3.201 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ncccc1F ZINC000530222379 270196476 /nfs/dbraw/zinc/19/64/76/270196476.db2.gz JRFZAEITMLDEIY-LXZKKBNFSA-N 2 2 299.393 3.365 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc2c(s1)CCC2 ZINC000530216609 270195851 /nfs/dbraw/zinc/19/58/51/270195851.db2.gz CICJCMILYBVANL-XHDPSFHLSA-N 2 2 276.449 3.172 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000530218397 270196114 /nfs/dbraw/zinc/19/61/14/270196114.db2.gz IVZDYZRNMKDRJN-FZMZJTMJSA-N 2 2 264.438 3.246 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530218233 270196257 /nfs/dbraw/zinc/19/62/57/270196257.db2.gz IIADIZSTKPNBDF-JKSUJKDBSA-N 2 2 270.420 3.283 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)CCC2 ZINC000530221220 270196415 /nfs/dbraw/zinc/19/64/15/270196415.db2.gz OXHHTDJVLWRWPH-CXAGYDPISA-N 2 2 270.420 3.111 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530223743 270196620 /nfs/dbraw/zinc/19/66/20/270196620.db2.gz UZSMESNGWNSXTD-NVXWUHKLSA-N 2 2 286.419 3.083 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cc(C)ccc1C ZINC000530226023 270196908 /nfs/dbraw/zinc/19/69/08/270196908.db2.gz ZRSRNDKVFLLSJM-BQFCYCMXSA-N 2 2 290.451 3.111 20 0 CGADLP CC1(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000530278985 270198509 /nfs/dbraw/zinc/19/85/09/270198509.db2.gz WNUMSVXKXPLNKN-UHFFFAOYSA-N 2 2 290.373 3.181 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531737025 270209289 /nfs/dbraw/zinc/20/92/89/270209289.db2.gz DVBMXCWEBOWAQM-GJZGRUSLSA-N 2 2 270.486 3.148 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccsc1)CCC2 ZINC000531731887 270209311 /nfs/dbraw/zinc/20/93/11/270209311.db2.gz BFLNGORDKSXXNM-DOMZBBRYSA-N 2 2 289.448 3.351 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000531966812 270211738 /nfs/dbraw/zinc/21/17/38/270211738.db2.gz FDNFTUJRKNFJGR-USXIJHARSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000531966812 270211739 /nfs/dbraw/zinc/21/17/39/270211739.db2.gz FDNFTUJRKNFJGR-USXIJHARSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1C ZINC000531983582 270212333 /nfs/dbraw/zinc/21/23/33/270212333.db2.gz VTPKKLKFKVIINP-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1C ZINC000531983582 270212334 /nfs/dbraw/zinc/21/23/34/270212334.db2.gz VTPKKLKFKVIINP-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531992236 270212464 /nfs/dbraw/zinc/21/24/64/270212464.db2.gz FWMMKAGJFUVVPU-KEYYUXOJSA-N 2 2 288.435 3.137 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531992236 270212465 /nfs/dbraw/zinc/21/24/65/270212465.db2.gz FWMMKAGJFUVVPU-KEYYUXOJSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530308 270216798 /nfs/dbraw/zinc/21/67/98/270216798.db2.gz XEMSKBZEXZWHEG-HZPDHXFCSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530308 270216799 /nfs/dbraw/zinc/21/67/99/270216799.db2.gz XEMSKBZEXZWHEG-HZPDHXFCSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000532530503 270216903 /nfs/dbraw/zinc/21/69/03/270216903.db2.gz TZNJMHIPKHZVNQ-QAPCUYQASA-N 2 2 272.436 3.386 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000532530503 270216904 /nfs/dbraw/zinc/21/69/04/270216904.db2.gz TZNJMHIPKHZVNQ-QAPCUYQASA-N 2 2 272.436 3.386 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422784970 273722528 /nfs/dbraw/zinc/72/25/28/273722528.db2.gz QKMLHQGHYKCKIB-KGLIPLIRSA-N 2 2 286.341 3.326 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000359607463 275072445 /nfs/dbraw/zinc/07/24/45/275072445.db2.gz ZVTSOFIFDHWQCN-INIZCTEOSA-N 2 2 295.430 3.325 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129227540 275390727 /nfs/dbraw/zinc/39/07/27/275390727.db2.gz VGDDMTJXOXTHMC-UHFFFAOYSA-N 2 2 250.430 3.175 20 0 CGADLP Cc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc2cccnc12 ZINC000358168311 533689476 /nfs/dbraw/zinc/68/94/76/533689476.db2.gz QFUHWBOQVMVRAA-UHFFFAOYSA-N 2 2 295.430 3.285 20 0 CGADLP Cc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc2cccnc12 ZINC000358168311 533689486 /nfs/dbraw/zinc/68/94/86/533689486.db2.gz QFUHWBOQVMVRAA-UHFFFAOYSA-N 2 2 295.430 3.285 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000336446992 275626815 /nfs/dbraw/zinc/62/68/15/275626815.db2.gz MHGZXWVGUVSJHE-MRXNPFEDSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000488445469 275839198 /nfs/dbraw/zinc/83/91/98/275839198.db2.gz YETHWTGMRNKZJT-GJZGRUSLSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000468805280 276018510 /nfs/dbraw/zinc/01/85/10/276018510.db2.gz CGTZHXMWAIJCSZ-NJAFHUGGSA-N 2 2 274.452 3.041 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000468805280 276018511 /nfs/dbraw/zinc/01/85/11/276018511.db2.gz CGTZHXMWAIJCSZ-NJAFHUGGSA-N 2 2 274.452 3.041 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000248530632 276174969 /nfs/dbraw/zinc/17/49/69/276174969.db2.gz NFXGWFREBVOISJ-TZMCWYRMSA-N 2 2 266.454 3.500 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000248530632 276174971 /nfs/dbraw/zinc/17/49/71/276174971.db2.gz NFXGWFREBVOISJ-TZMCWYRMSA-N 2 2 266.454 3.500 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000253128799 276175107 /nfs/dbraw/zinc/17/51/07/276175107.db2.gz UGRDVCQAICGWRP-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000253128799 276175109 /nfs/dbraw/zinc/17/51/09/276175109.db2.gz UGRDVCQAICGWRP-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000359007323 276180510 /nfs/dbraw/zinc/18/05/10/276180510.db2.gz ZQJYHBFPKGPCSS-XHSDSOJGSA-N 2 2 282.497 3.006 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000443860639 276180821 /nfs/dbraw/zinc/18/08/21/276180821.db2.gz IREBCMMWZTWSEK-JONQDZQNSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000443860639 276180823 /nfs/dbraw/zinc/18/08/23/276180823.db2.gz IREBCMMWZTWSEK-JONQDZQNSA-N 2 2 250.430 3.051 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000250207521 276188032 /nfs/dbraw/zinc/18/80/32/276188032.db2.gz CEUNYTAWEIIOBG-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000250207521 276188034 /nfs/dbraw/zinc/18/80/34/276188034.db2.gz CEUNYTAWEIIOBG-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000414351427 276230403 /nfs/dbraw/zinc/23/04/03/276230403.db2.gz VTVFMMVUFYIGEQ-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000414351427 276230405 /nfs/dbraw/zinc/23/04/05/276230405.db2.gz VTVFMMVUFYIGEQ-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000359597198 276379417 /nfs/dbraw/zinc/37/94/17/276379417.db2.gz QWTOZDIFVRBCKH-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000359597198 276379418 /nfs/dbraw/zinc/37/94/18/276379418.db2.gz QWTOZDIFVRBCKH-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000414753444 277172558 /nfs/dbraw/zinc/17/25/58/277172558.db2.gz MLGILYLMYBHNDU-UHFFFAOYSA-N 2 2 278.415 3.335 20 0 CGADLP COc1cccc2c(N[C@@H](C[NH3+])CC(C)C)cc[nH+]c12 ZINC000420186203 277459308 /nfs/dbraw/zinc/45/93/08/277459308.db2.gz LSKVGFGSZSFMHU-GFCCVEGCSA-N 2 2 273.380 3.029 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435521 278036452 /nfs/dbraw/zinc/03/64/52/278036452.db2.gz BZNAMAFFVMYQOE-MRXNPFEDSA-N 2 2 297.402 3.005 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395304145 288007936 /nfs/dbraw/zinc/00/79/36/288007936.db2.gz SWYAGOVHIUDLGT-PBHICJAKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395304145 288007937 /nfs/dbraw/zinc/00/79/37/288007937.db2.gz SWYAGOVHIUDLGT-PBHICJAKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000341397287 278085070 /nfs/dbraw/zinc/08/50/70/278085070.db2.gz NTGIAWZNVFFQIQ-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000341397287 278085071 /nfs/dbraw/zinc/08/50/71/278085071.db2.gz NTGIAWZNVFFQIQ-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000337559358 278177281 /nfs/dbraw/zinc/17/72/81/278177281.db2.gz UEPLAKVIHGRXJK-MBNYWOFBSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000337559358 278177285 /nfs/dbraw/zinc/17/72/85/278177285.db2.gz UEPLAKVIHGRXJK-MBNYWOFBSA-N 2 2 264.438 3.009 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869882 278268536 /nfs/dbraw/zinc/26/85/36/278268536.db2.gz AWYYRLYVEGXVDF-RLFYNMQTSA-N 2 2 287.451 3.078 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1CC1(C)C ZINC000397818190 288031576 /nfs/dbraw/zinc/03/15/76/288031576.db2.gz UUJQGPJNMXQGBU-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1CC1(C)C ZINC000397818190 288031580 /nfs/dbraw/zinc/03/15/80/288031580.db2.gz UUJQGPJNMXQGBU-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000063191481 278317462 /nfs/dbraw/zinc/31/74/62/278317462.db2.gz HQBZFJDMRXHAIG-BXUZGUMPSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000063191481 278317465 /nfs/dbraw/zinc/31/74/65/278317465.db2.gz HQBZFJDMRXHAIG-BXUZGUMPSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397851308 288032708 /nfs/dbraw/zinc/03/27/08/288032708.db2.gz ZUSYHXWFAHLZPX-DZGCQCFKSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397851310 288032816 /nfs/dbraw/zinc/03/28/16/288032816.db2.gz ZUSYHXWFAHLZPX-UKRRQHHQSA-N 2 2 273.424 3.075 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1C ZINC000397996392 288037170 /nfs/dbraw/zinc/03/71/70/288037170.db2.gz QMYVSCDJGHCPBH-OAHLLOKOSA-N 2 2 260.425 3.357 20 0 CGADLP CC(C)OCC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398014484 288037660 /nfs/dbraw/zinc/03/76/60/288037660.db2.gz FQBDDADHUUQPIK-GOSISDBHSA-N 2 2 292.467 3.158 20 0 CGADLP CC(C)OCC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398014484 288037663 /nfs/dbraw/zinc/03/76/63/288037663.db2.gz FQBDDADHUUQPIK-GOSISDBHSA-N 2 2 292.467 3.158 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)[C@H](C)[NH3+] ZINC000423433928 278374901 /nfs/dbraw/zinc/37/49/01/278374901.db2.gz COHKXTUUJLVHJA-JOAULVNJSA-N 2 2 273.207 3.306 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Cl ZINC000335209302 278388240 /nfs/dbraw/zinc/38/82/40/278388240.db2.gz GQAHOQGYTOYSTQ-PWSUYJOCSA-N 2 2 293.773 3.341 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc(C)c1F ZINC000423571779 278742951 /nfs/dbraw/zinc/74/29/51/278742951.db2.gz XUQLUPJXXAAMCD-ZFWWWQNUSA-N 2 2 264.388 3.235 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1F ZINC000423363360 288091404 /nfs/dbraw/zinc/09/14/04/288091404.db2.gz NYXYCNMACIUVNN-LKTVYLICSA-N 2 2 268.351 3.004 20 0 CGADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCC[NH3+] ZINC000414752468 279128080 /nfs/dbraw/zinc/12/80/80/279128080.db2.gz KTAIDLOAOCCHAH-SECBINFHSA-N 2 2 273.207 3.261 20 0 CGADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCC[NH3+] ZINC000414752468 279128083 /nfs/dbraw/zinc/12/80/83/279128083.db2.gz KTAIDLOAOCCHAH-SECBINFHSA-N 2 2 273.207 3.261 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)n2cc[nH+]c21)CC(C)C ZINC000453098987 279165265 /nfs/dbraw/zinc/16/52/65/279165265.db2.gz XKBKILRAGUMXLJ-OWCLPIDISA-N 2 2 292.471 3.235 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702460 279177246 /nfs/dbraw/zinc/17/72/46/279177246.db2.gz ZCOZEGNCTFLDCP-FUHWJXTLSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702460 279177248 /nfs/dbraw/zinc/17/72/48/279177248.db2.gz ZCOZEGNCTFLDCP-FUHWJXTLSA-N 2 2 281.403 3.209 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000427604864 279295524 /nfs/dbraw/zinc/29/55/24/279295524.db2.gz SXZHVROCVXHHCA-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000427604864 279295525 /nfs/dbraw/zinc/29/55/25/279295525.db2.gz SXZHVROCVXHHCA-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338786812 279359435 /nfs/dbraw/zinc/35/94/35/279359435.db2.gz NUYQPQDTRMFLOK-BHYGNILZSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338786812 279359433 /nfs/dbraw/zinc/35/94/33/279359433.db2.gz NUYQPQDTRMFLOK-BHYGNILZSA-N 2 2 260.425 3.108 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748389 279398111 /nfs/dbraw/zinc/39/81/11/279398111.db2.gz RQSIGVHVBNCPIM-DZGCQCFKSA-N 2 2 292.471 3.012 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748389 279398112 /nfs/dbraw/zinc/39/81/12/279398112.db2.gz RQSIGVHVBNCPIM-DZGCQCFKSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748389 279398113 /nfs/dbraw/zinc/39/81/13/279398113.db2.gz RQSIGVHVBNCPIM-DZGCQCFKSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748389 279398115 /nfs/dbraw/zinc/39/81/15/279398115.db2.gz RQSIGVHVBNCPIM-DZGCQCFKSA-N 2 2 292.471 3.012 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486565 288153990 /nfs/dbraw/zinc/15/39/90/288153990.db2.gz HQVUFECJZUNQHA-OAHLLOKOSA-N 2 2 280.362 3.244 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527629708 288177178 /nfs/dbraw/zinc/17/71/78/288177178.db2.gz OOCABQHPIWPFQX-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP FC(F)(F)c1sccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000527630196 288177462 /nfs/dbraw/zinc/17/74/62/288177462.db2.gz YTSFPXYECPGXGK-UHFFFAOYSA-N 2 2 289.326 3.143 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CCC2 ZINC000527665694 288185547 /nfs/dbraw/zinc/18/55/47/288185547.db2.gz HUYKBVPXUKGCRY-TUUVXOQKSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527852836 288198047 /nfs/dbraw/zinc/19/80/47/288198047.db2.gz RZBZKLLMHKGGBD-BONVTDFDSA-N 2 2 293.773 3.341 20 0 CGADLP C/C(Cl)=C/C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528429044 288199432 /nfs/dbraw/zinc/19/94/32/288199432.db2.gz OJDAWNIBFVRDFI-XGICHPGQSA-N 2 2 265.788 3.101 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000480262624 280146153 /nfs/dbraw/zinc/14/61/53/280146153.db2.gz XVHRMNXAWKPHDX-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000480262624 280146155 /nfs/dbraw/zinc/14/61/55/280146155.db2.gz XVHRMNXAWKPHDX-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP Cc1c[nH+]ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000528521014 288206428 /nfs/dbraw/zinc/20/64/28/288206428.db2.gz YSTZZTIODMLUFB-NWDGAFQWSA-N 2 2 255.365 3.006 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337506590 280254693 /nfs/dbraw/zinc/25/46/93/280254693.db2.gz FYBAVMCRPWKTLN-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337506590 280254696 /nfs/dbraw/zinc/25/46/96/280254696.db2.gz FYBAVMCRPWKTLN-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414955500 281067806 /nfs/dbraw/zinc/06/78/06/281067806.db2.gz NELBEMUKVBXAMJ-HZPDHXFCSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000165950346 281091984 /nfs/dbraw/zinc/09/19/84/281091984.db2.gz QEZAKSVZOKSPFU-KRWDZBQOSA-N 2 2 269.392 3.249 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CC2 ZINC000361969807 281119227 /nfs/dbraw/zinc/11/92/27/281119227.db2.gz COUIWDAXMFRVLE-SJORKVTESA-N 2 2 290.476 3.009 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177967 288295378 /nfs/dbraw/zinc/29/53/78/288295378.db2.gz MAPAOAXQERYDCJ-INIZCTEOSA-N 2 2 258.409 3.184 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179216 288295914 /nfs/dbraw/zinc/29/59/14/288295914.db2.gz QVBWCFFKDFOPSI-INIZCTEOSA-N 2 2 270.376 3.115 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530179319 288296458 /nfs/dbraw/zinc/29/64/58/288296458.db2.gz WUNKWPZQBYEUPI-CYBMUJFWSA-N 2 2 285.218 3.368 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179878 288296829 /nfs/dbraw/zinc/29/68/29/288296829.db2.gz YLFDJLSCWPOKSQ-QGZVFWFLSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cccc(NC[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000114183363 281246000 /nfs/dbraw/zinc/24/60/00/281246000.db2.gz ZSHLSLZEQRRBDF-OAHLLOKOSA-N 2 2 255.365 3.105 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@H+](CCc1c[nH+]cn1C)C2 ZINC000459500041 281268418 /nfs/dbraw/zinc/26/84/18/281268418.db2.gz DHBBXOBRSWQKNR-UHFFFAOYSA-N 2 2 283.419 3.108 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000459500041 281268420 /nfs/dbraw/zinc/26/84/20/281268420.db2.gz DHBBXOBRSWQKNR-UHFFFAOYSA-N 2 2 283.419 3.108 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346804338 281271063 /nfs/dbraw/zinc/27/10/63/281271063.db2.gz XIQSCOJPNXPSQP-XKQJLSEDSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346804338 281271067 /nfs/dbraw/zinc/27/10/67/281271067.db2.gz XIQSCOJPNXPSQP-XKQJLSEDSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188881649 281292922 /nfs/dbraw/zinc/29/29/22/281292922.db2.gz HRSRGJHRRFSNBU-JKIFEVAISA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188881649 281292924 /nfs/dbraw/zinc/29/29/24/281292924.db2.gz HRSRGJHRRFSNBU-JKIFEVAISA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)CCC2 ZINC000334831105 281552655 /nfs/dbraw/zinc/55/26/55/281552655.db2.gz LXFFZHSODINTMJ-KBPBESRZSA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)C1CCOCC1 ZINC000531718200 288342862 /nfs/dbraw/zinc/34/28/62/288342862.db2.gz ODEGWJXDYIXESA-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)C1CCOCC1 ZINC000531718200 288342865 /nfs/dbraw/zinc/34/28/65/288342865.db2.gz ODEGWJXDYIXESA-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724569 288343564 /nfs/dbraw/zinc/34/35/64/288343564.db2.gz AJBJHODYQRMVOJ-CABCVRRESA-N 2 2 274.452 3.110 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000532246195 288358555 /nfs/dbraw/zinc/35/85/55/288358555.db2.gz RTYQUKOOLCURIA-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000532246195 288358557 /nfs/dbraw/zinc/35/85/57/288358557.db2.gz RTYQUKOOLCURIA-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532479240 288364360 /nfs/dbraw/zinc/36/43/60/288364360.db2.gz CYHZGQUDGSCEKO-VNQPRFMTSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532479240 288364364 /nfs/dbraw/zinc/36/43/64/288364364.db2.gz CYHZGQUDGSCEKO-VNQPRFMTSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540709 288366284 /nfs/dbraw/zinc/36/62/84/288366284.db2.gz UJOXTPKTSVMDPZ-BEFAXECRSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540709 288366287 /nfs/dbraw/zinc/36/62/87/288366287.db2.gz UJOXTPKTSVMDPZ-BEFAXECRSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540638 288366316 /nfs/dbraw/zinc/36/63/16/288366316.db2.gz AJGCBJVNARCUCD-UZLBHIALSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540638 288366318 /nfs/dbraw/zinc/36/63/18/288366318.db2.gz AJGCBJVNARCUCD-UZLBHIALSA-N 2 2 294.442 3.436 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C(C)C)C1CC1)CCC2 ZINC000532538313 288366399 /nfs/dbraw/zinc/36/63/99/288366399.db2.gz KGSNPTHGOQCUKE-LSDHHAIUSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@H](Cc1ccsc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000543078890 288782366 /nfs/dbraw/zinc/78/23/66/288782366.db2.gz DKDMOODZSLQDAF-CYBMUJFWSA-N 2 2 275.421 3.213 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC1 ZINC000278839643 289059980 /nfs/dbraw/zinc/05/99/80/289059980.db2.gz USTBPAZKNZLAES-MRXNPFEDSA-N 2 2 273.424 3.007 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000097928411 289061800 /nfs/dbraw/zinc/06/18/00/289061800.db2.gz OGAYQVPLNCIHHN-RYUDHWBXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@]1(C)CCCO1 ZINC000550934390 289091622 /nfs/dbraw/zinc/09/16/22/289091622.db2.gz BUYAMVUVBKEAEC-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@]1(C)CCCO1 ZINC000550934390 289091624 /nfs/dbraw/zinc/09/16/24/289091624.db2.gz BUYAMVUVBKEAEC-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069989 289098075 /nfs/dbraw/zinc/09/80/75/289098075.db2.gz PPTBEXWLTZUVOA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069989 289098077 /nfs/dbraw/zinc/09/80/77/289098077.db2.gz PPTBEXWLTZUVOA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000551069989 289098078 /nfs/dbraw/zinc/09/80/78/289098078.db2.gz PPTBEXWLTZUVOA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000551069989 289098079 /nfs/dbraw/zinc/09/80/79/289098079.db2.gz PPTBEXWLTZUVOA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H](C)C1 ZINC000551230699 289103646 /nfs/dbraw/zinc/10/36/46/289103646.db2.gz BUEIAEKZKAAZDL-STQMWFEESA-N 2 2 261.413 3.134 20 0 CGADLP CCC1CC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000551789538 289132612 /nfs/dbraw/zinc/13/26/12/289132612.db2.gz PXHDWIDTFMIKNU-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP CCC1CC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000551789538 289132616 /nfs/dbraw/zinc/13/26/16/289132616.db2.gz PXHDWIDTFMIKNU-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000552045996 289154376 /nfs/dbraw/zinc/15/43/76/289154376.db2.gz VDXBUGDIRQCXDS-VNQPRFMTSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000552045996 289154379 /nfs/dbraw/zinc/15/43/79/289154379.db2.gz VDXBUGDIRQCXDS-VNQPRFMTSA-N 2 2 250.430 3.028 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)[C@@H](C)C1 ZINC000553604022 289231561 /nfs/dbraw/zinc/23/15/61/289231561.db2.gz MKNJYKHKKZISHK-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000554096537 289258590 /nfs/dbraw/zinc/25/85/90/289258590.db2.gz MKHXAMGGYNRWGP-USXIJHARSA-N 2 2 260.425 3.037 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000555227104 289334366 /nfs/dbraw/zinc/33/43/66/289334366.db2.gz PLRUGXSNPMYUCY-HZPDHXFCSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Cc1ccccc1 ZINC000556044919 289367980 /nfs/dbraw/zinc/36/79/80/289367980.db2.gz BESCQSRKOUPVQM-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Cc1ccccc1 ZINC000556044919 289367981 /nfs/dbraw/zinc/36/79/81/289367981.db2.gz BESCQSRKOUPVQM-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000556583428 289398241 /nfs/dbraw/zinc/39/82/41/289398241.db2.gz ISJWYFWPAXKBLQ-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562564634 289715640 /nfs/dbraw/zinc/71/56/40/289715640.db2.gz IMFZORXKMBQEJA-AWEZNQCLSA-N 2 2 275.440 3.465 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000420376169 290061784 /nfs/dbraw/zinc/06/17/84/290061784.db2.gz UUNQTBSFZCLTKI-UUIJZJDISA-N 2 2 266.816 3.377 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436295514 293092043 /nfs/dbraw/zinc/09/20/43/293092043.db2.gz HJMGECDLSLVKIV-FUHWJXTLSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436295514 293092046 /nfs/dbraw/zinc/09/20/46/293092046.db2.gz HJMGECDLSLVKIV-FUHWJXTLSA-N 2 2 296.499 3.434 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000360701649 294317349 /nfs/dbraw/zinc/31/73/49/294317349.db2.gz GDGSRWMIRGHIFI-NUJGCVRESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cocn2)c(C)c1 ZINC000582055734 327823329 /nfs/dbraw/zinc/82/33/29/327823329.db2.gz AZRVQWXOTMODMD-KRWDZBQOSA-N 2 2 296.374 3.019 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000152123082 321693507 /nfs/dbraw/zinc/69/35/07/321693507.db2.gz GEPMWDDHSGZVKW-SFHVURJKSA-N 2 2 283.419 3.456 20 0 CGADLP Clc1scc(C[NH2+]CCC[NH+]2CCC2)c1Cl ZINC000563418447 321996216 /nfs/dbraw/zinc/99/62/16/321996216.db2.gz TUFFRABIJGQLFE-UHFFFAOYSA-N 2 2 279.236 3.240 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000563847574 322012795 /nfs/dbraw/zinc/01/27/95/322012795.db2.gz OTXCASJCXJTALP-AWEZNQCLSA-N 2 2 262.441 3.066 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000564420015 322030399 /nfs/dbraw/zinc/03/03/99/322030399.db2.gz NDKYEHIIGSPFKU-XQLPTFJDSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000564420015 322030400 /nfs/dbraw/zinc/03/04/00/322030400.db2.gz NDKYEHIIGSPFKU-XQLPTFJDSA-N 2 2 275.440 3.317 20 0 CGADLP CSCC1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000566659556 322133307 /nfs/dbraw/zinc/13/33/07/322133307.db2.gz FXOHEFZDDVCENF-UHFFFAOYSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1C ZINC000567368531 322161178 /nfs/dbraw/zinc/16/11/78/322161178.db2.gz ZAYGMSOSVTYPJC-QGZVFWFLSA-N 2 2 287.382 3.499 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000567903993 322182550 /nfs/dbraw/zinc/18/25/50/322182550.db2.gz ILJZGGHNWZLHGN-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000567903993 322182551 /nfs/dbraw/zinc/18/25/51/322182551.db2.gz ILJZGGHNWZLHGN-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000568178152 322196225 /nfs/dbraw/zinc/19/62/25/322196225.db2.gz IELSCSSPVQLXQD-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000568178152 322196228 /nfs/dbraw/zinc/19/62/28/322196228.db2.gz IELSCSSPVQLXQD-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(F)c1 ZINC000570049104 322263864 /nfs/dbraw/zinc/26/38/64/322263864.db2.gz AYNYGGRTZFHNTH-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)n1C ZINC000570986940 322287241 /nfs/dbraw/zinc/28/72/41/322287241.db2.gz SFLHZXSMCURKEU-GTNSWQLSSA-N 2 2 287.382 3.281 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)n1C ZINC000570986939 322287252 /nfs/dbraw/zinc/28/72/52/322287252.db2.gz SFLHZXSMCURKEU-DIFFPNOSSA-N 2 2 287.382 3.281 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]1CCCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000571097789 322289924 /nfs/dbraw/zinc/28/99/24/322289924.db2.gz ZFOTZRDYLBYJRH-FQEVSTJZSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000571097789 322289926 /nfs/dbraw/zinc/28/99/26/322289926.db2.gz ZFOTZRDYLBYJRH-FQEVSTJZSA-N 2 2 298.474 3.352 20 0 CGADLP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)c(Cl)c1Cl ZINC000572302866 322330652 /nfs/dbraw/zinc/33/06/52/322330652.db2.gz RILMIGRSQXSIKJ-UHFFFAOYSA-N 2 2 291.197 3.318 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000572326961 322331713 /nfs/dbraw/zinc/33/17/13/322331713.db2.gz OLVFXIWKRAIPIC-KGLIPLIRSA-N 2 2 263.429 3.463 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000572326961 322331716 /nfs/dbraw/zinc/33/17/16/322331716.db2.gz OLVFXIWKRAIPIC-KGLIPLIRSA-N 2 2 263.429 3.463 20 0 CGADLP CC[N@H+](CCc1cc[nH+]cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000572756011 322353639 /nfs/dbraw/zinc/35/36/39/322353639.db2.gz GHTIGCLMXDCXOM-MRXNPFEDSA-N 2 2 276.424 3.212 20 0 CGADLP CC[N@@H+](CCc1cc[nH+]cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000572756011 322353642 /nfs/dbraw/zinc/35/36/42/322353642.db2.gz GHTIGCLMXDCXOM-MRXNPFEDSA-N 2 2 276.424 3.212 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccc(F)cc2F)c[nH+]1 ZINC000573075240 322368457 /nfs/dbraw/zinc/36/84/57/322368457.db2.gz MDOXZICZZRSDKP-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000573533097 322392883 /nfs/dbraw/zinc/39/28/83/322392883.db2.gz XKSPQGSSHSXGMG-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000573533097 322392886 /nfs/dbraw/zinc/39/28/86/322392886.db2.gz XKSPQGSSHSXGMG-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C3CC3)ccc2F)n1C ZINC000573626009 322397879 /nfs/dbraw/zinc/39/78/79/322397879.db2.gz VDGRPVXXAHFMML-UHFFFAOYSA-N 2 2 273.355 3.035 20 0 CGADLP CCc1cc(OCC[C@@H]2CC[NH2+]C2)c2ccccc2[nH+]1 ZINC000575245377 322480263 /nfs/dbraw/zinc/48/02/63/322480263.db2.gz XPIAVLQOQRSYME-ZDUSSCGKSA-N 2 2 270.376 3.176 20 0 CGADLP C[C@@H]([C@H](C)[NH2+]CC[NH+]1CCCC1)C1CCCCC1 ZINC000576908123 335262875 /nfs/dbraw/zinc/26/28/75/335262875.db2.gz NWTFADOMSPLGFX-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192852519 335313002 /nfs/dbraw/zinc/31/30/02/335313002.db2.gz WLWSCIUYOYEVDA-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192852519 335313004 /nfs/dbraw/zinc/31/30/04/335313004.db2.gz WLWSCIUYOYEVDA-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192852533 335313181 /nfs/dbraw/zinc/31/31/81/335313181.db2.gz WLWSCIUYOYEVDA-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192852533 335313182 /nfs/dbraw/zinc/31/31/82/335313182.db2.gz WLWSCIUYOYEVDA-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H](C)C2CCCCC2)n1C ZINC000577748423 335396801 /nfs/dbraw/zinc/39/68/01/335396801.db2.gz XZNAADFSEXOSOF-QWHCGFSZSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000581067307 336003044 /nfs/dbraw/zinc/00/30/44/336003044.db2.gz HYHOYBRLWNJZQJ-ZYHUDNBSSA-N 2 2 270.779 3.272 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2c3ccccc3O[C@@H]2C)c[nH+]1 ZINC000581158964 336016768 /nfs/dbraw/zinc/01/67/68/336016768.db2.gz OHYHEZFFHKNLOW-KDOFPFPSSA-N 2 2 282.387 3.434 20 0 CGADLP C[N@@H+](Cc1sccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000194338160 336017435 /nfs/dbraw/zinc/01/74/35/336017435.db2.gz QCOCUDDYAJTSAW-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1sccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000194338160 336017436 /nfs/dbraw/zinc/01/74/36/336017436.db2.gz QCOCUDDYAJTSAW-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1sccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000194338160 336017437 /nfs/dbraw/zinc/01/74/37/336017437.db2.gz QCOCUDDYAJTSAW-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1sccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000194338160 336017438 /nfs/dbraw/zinc/01/74/38/336017438.db2.gz QCOCUDDYAJTSAW-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000381011058 336044031 /nfs/dbraw/zinc/04/40/31/336044031.db2.gz SIYJTHLCZHPGGZ-RSRPTUBKSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000381011058 336044033 /nfs/dbraw/zinc/04/40/33/336044033.db2.gz SIYJTHLCZHPGGZ-RSRPTUBKSA-N 2 2 284.447 3.428 20 0 CGADLP c1c(CC[NH2+]C2C3CC4CC(C3)CC2C4)[nH+]c2ccccn12 ZINC000195569275 336056547 /nfs/dbraw/zinc/05/65/47/336056547.db2.gz AINLTPOQIXCNHK-UHFFFAOYSA-N 2 2 295.430 3.291 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1CCCC[NH2+]1 ZINC000386510864 336175903 /nfs/dbraw/zinc/17/59/03/336175903.db2.gz XCHVMNRHUXXYIT-YUTCNCBUSA-N 2 2 264.438 3.246 20 0 CGADLP CC[C@@H](COC)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386873167 336181271 /nfs/dbraw/zinc/18/12/71/336181271.db2.gz LAOBOKBMWJKYEK-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](COC)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386873167 336181273 /nfs/dbraw/zinc/18/12/73/336181273.db2.gz LAOBOKBMWJKYEK-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582003061 336188945 /nfs/dbraw/zinc/18/89/45/336188945.db2.gz RMJOFHOLPBFECN-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582003061 336188947 /nfs/dbraw/zinc/18/89/47/336188947.db2.gz RMJOFHOLPBFECN-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)o2)CC1 ZINC000161660576 519847412 /nfs/dbraw/zinc/84/74/12/519847412.db2.gz NQUOFJRGOJKXEI-CYBMUJFWSA-N 2 2 264.413 3.367 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000449401268 533720058 /nfs/dbraw/zinc/72/00/58/533720058.db2.gz GHTNGDWCNMJUQN-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000449401268 533720064 /nfs/dbraw/zinc/72/00/64/533720064.db2.gz GHTNGDWCNMJUQN-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423332363 533771711 /nfs/dbraw/zinc/77/17/11/533771711.db2.gz VAIXJSWTPJQFRD-GJZGRUSLSA-N 2 2 294.826 3.189 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CCC[N@H+](C)[C@H]3C)cccc12 ZINC000449233227 533840185 /nfs/dbraw/zinc/84/01/85/533840185.db2.gz KPGILTQZCBKOCC-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CCC[N@@H+](C)[C@H]3C)cccc12 ZINC000449233227 533840193 /nfs/dbraw/zinc/84/01/93/533840193.db2.gz KPGILTQZCBKOCC-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(NCC3([NH+](C)C)CCC3)cc[nH+]c12 ZINC000440661983 533843940 /nfs/dbraw/zinc/84/39/40/533843940.db2.gz DKNVWFNCGGGWIM-UHFFFAOYSA-N 2 2 285.391 3.140 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000358408109 533991186 /nfs/dbraw/zinc/99/11/86/533991186.db2.gz UZFWLVWDJFSQJG-UHIISALHSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000358408109 533991192 /nfs/dbraw/zinc/99/11/92/533991192.db2.gz UZFWLVWDJFSQJG-UHIISALHSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423367138 533992151 /nfs/dbraw/zinc/99/21/51/533992151.db2.gz QUZYIOKINVOZPM-ZRGWGRIASA-N 2 2 295.430 3.397 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000425338369 533994923 /nfs/dbraw/zinc/99/49/23/533994923.db2.gz PAYHDBAWXRZFJZ-XLNGHYISSA-N 2 2 292.492 3.470 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(F)c1F ZINC000423503081 533995466 /nfs/dbraw/zinc/99/54/66/533995466.db2.gz MLBVVAKKCDTXDB-IINYFYTJSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cn1 ZINC000359671398 534005030 /nfs/dbraw/zinc/00/50/30/534005030.db2.gz ICYORICSLMMARD-UBHSHLNASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cn1 ZINC000359671398 534005040 /nfs/dbraw/zinc/00/50/40/534005040.db2.gz ICYORICSLMMARD-UBHSHLNASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439245 534090179 /nfs/dbraw/zinc/09/01/79/534090179.db2.gz SMIZERLPVKSVQG-ACJLOTCBSA-N 2 2 281.403 3.243 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000438846622 534201650 /nfs/dbraw/zinc/20/16/50/534201650.db2.gz BXAQQTWURIGKKX-VXGBXAGGSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000438846622 534201656 /nfs/dbraw/zinc/20/16/56/534201656.db2.gz BXAQQTWURIGKKX-VXGBXAGGSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000438846622 534201660 /nfs/dbraw/zinc/20/16/60/534201660.db2.gz BXAQQTWURIGKKX-VXGBXAGGSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000438846622 534201664 /nfs/dbraw/zinc/20/16/64/534201664.db2.gz BXAQQTWURIGKKX-VXGBXAGGSA-N 2 2 284.494 3.385 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163414621 519625416 /nfs/dbraw/zinc/62/54/16/519625416.db2.gz SXEOEUYOHOKMLP-NSHDSACASA-N 2 2 254.340 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163414621 519625422 /nfs/dbraw/zinc/62/54/22/519625422.db2.gz SXEOEUYOHOKMLP-NSHDSACASA-N 2 2 254.340 3.037 20 0 CGADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427851019 534491367 /nfs/dbraw/zinc/49/13/67/534491367.db2.gz JMVMGXWBQXCVPN-YESZJQIVSA-N 2 2 299.393 3.263 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422785944 534496424 /nfs/dbraw/zinc/49/64/24/534496424.db2.gz PUBLYCSLAXDGRV-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3=CCCCC3)n2c1 ZINC000449374867 534517473 /nfs/dbraw/zinc/51/74/73/534517473.db2.gz CRFPHPXSDGHFRT-UHFFFAOYSA-N 2 2 255.365 3.233 20 0 CGADLP Fc1cnccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449179696 534538431 /nfs/dbraw/zinc/53/84/31/534538431.db2.gz WKUGHCOLEGQLTD-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP C[N@H+](Cc1csc(Cl)c1Cl)CC(C)(C)C[NH3+] ZINC000261745796 523528492 /nfs/dbraw/zinc/52/84/92/523528492.db2.gz BTQAIYWHOCWPOP-UHFFFAOYSA-N 2 2 281.252 3.472 20 0 CGADLP C[N@@H+](Cc1csc(Cl)c1Cl)CC(C)(C)C[NH3+] ZINC000261745796 523528502 /nfs/dbraw/zinc/52/85/02/523528502.db2.gz BTQAIYWHOCWPOP-UHFFFAOYSA-N 2 2 281.252 3.472 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000151155513 524684886 /nfs/dbraw/zinc/68/48/86/524684886.db2.gz GGVZOPSXCMEYMN-SFHVURJKSA-N 2 2 285.435 3.439 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000151532417 525541223 /nfs/dbraw/zinc/54/12/23/525541223.db2.gz MFZXOFODHZBYST-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571888 525617771 /nfs/dbraw/zinc/61/77/71/525617771.db2.gz KTPALQQKZSVNMP-PGUXBMHVSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571888 525617777 /nfs/dbraw/zinc/61/77/77/525617777.db2.gz KTPALQQKZSVNMP-PGUXBMHVSA-N 2 2 268.351 3.098 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CCc3ccccc32)c[nH+]1 ZINC000151492527 526527735 /nfs/dbraw/zinc/52/77/35/526527735.db2.gz COFYAAPXLFOQPV-QGZVFWFLSA-N 2 2 290.370 3.044 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155756209 526968202 /nfs/dbraw/zinc/96/82/02/526968202.db2.gz SLEYVTLINACOKF-ZDUSSCGKSA-N 2 2 296.201 3.467 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)C(C)C ZINC000155855233 527167958 /nfs/dbraw/zinc/16/79/58/527167958.db2.gz JOTKKAWXMQEIGW-ZDUSSCGKSA-N 2 2 259.397 3.369 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000155931579 527663753 /nfs/dbraw/zinc/66/37/53/527663753.db2.gz ZMJCNYCFGJAGOT-ZDUSSCGKSA-N 2 2 288.313 3.267 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000155931579 527663755 /nfs/dbraw/zinc/66/37/55/527663755.db2.gz ZMJCNYCFGJAGOT-ZDUSSCGKSA-N 2 2 288.313 3.267 20 0 CGADLP CC(C)OC1CC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000428089771 527884588 /nfs/dbraw/zinc/88/45/88/527884588.db2.gz HQFJGOHQAGQRTP-AGERRDQYSA-N 2 2 290.451 3.223 20 0 CGADLP CC(C)C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000359387402 528065112 /nfs/dbraw/zinc/06/51/12/528065112.db2.gz YAASLLMMDQPMOT-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000359387402 528065115 /nfs/dbraw/zinc/06/51/15/528065115.db2.gz YAASLLMMDQPMOT-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000359000695 528109054 /nfs/dbraw/zinc/10/90/54/528109054.db2.gz KMJJUEZCQVVXTI-HOTGVXAUSA-N 2 2 273.424 3.466 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000358236662 528119779 /nfs/dbraw/zinc/11/97/79/528119779.db2.gz ZKOKZRIRYMLIIQ-CQSZACIVSA-N 2 2 262.372 3.128 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000358236662 528119784 /nfs/dbraw/zinc/11/97/84/528119784.db2.gz ZKOKZRIRYMLIIQ-CQSZACIVSA-N 2 2 262.372 3.128 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423375050 528225956 /nfs/dbraw/zinc/22/59/56/528225956.db2.gz CRPMBCXCNDXJJO-JKSUJKDBSA-N 2 2 275.440 3.291 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423245332 528332065 /nfs/dbraw/zinc/33/20/65/528332065.db2.gz MHJOYQOMDSLHDY-VIFPVBQESA-N 2 2 261.196 3.254 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423240044 528333148 /nfs/dbraw/zinc/33/31/48/528333148.db2.gz GXABUOPLGCDQPM-HNNXBMFYSA-N 2 2 266.816 3.380 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000423238864 528334628 /nfs/dbraw/zinc/33/46/28/528334628.db2.gz FLNHJHNPKMAHJO-OAHLLOKOSA-N 2 2 266.454 3.002 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000423390879 528421999 /nfs/dbraw/zinc/42/19/99/528421999.db2.gz WIYLQQUIFNKEIH-MNOVXSKESA-N 2 2 269.458 3.224 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423382323 528422713 /nfs/dbraw/zinc/42/27/13/528422713.db2.gz OILNJWLOJOKHFU-NEPJUHHUSA-N 2 2 282.453 3.066 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244029 528473451 /nfs/dbraw/zinc/47/34/51/528473451.db2.gz XBPNOVUWEMJBPH-YPMHNXCESA-N 2 2 282.815 3.141 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423471573 528475217 /nfs/dbraw/zinc/47/52/17/528475217.db2.gz PSBOJTABPLVLIA-ZYHUDNBSSA-N 2 2 270.804 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423314819 528513959 /nfs/dbraw/zinc/51/39/59/528513959.db2.gz WQBRIPPFYVMNCX-CQSZACIVSA-N 2 2 282.815 3.143 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000428245606 528718609 /nfs/dbraw/zinc/71/86/09/528718609.db2.gz ZXRBKUQCWDKWGA-HIFRSBDPSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000428245606 528718613 /nfs/dbraw/zinc/71/86/13/528718613.db2.gz ZXRBKUQCWDKWGA-HIFRSBDPSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000428245606 528718614 /nfs/dbraw/zinc/71/86/14/528718614.db2.gz ZXRBKUQCWDKWGA-HIFRSBDPSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000428245606 528718616 /nfs/dbraw/zinc/71/86/16/528718616.db2.gz ZXRBKUQCWDKWGA-HIFRSBDPSA-N 2 2 293.455 3.240 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414809688 528950170 /nfs/dbraw/zinc/95/01/70/528950170.db2.gz MRBGJTQLUQPMJR-UHFFFAOYSA-N 2 2 281.400 3.043 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423300844 528957134 /nfs/dbraw/zinc/95/71/34/528957134.db2.gz SFIIPPUZESIHAY-UKRRQHHQSA-N 2 2 271.408 3.403 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000359377956 529004890 /nfs/dbraw/zinc/00/48/90/529004890.db2.gz ZTDYRWILYULSCX-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000359377956 529004896 /nfs/dbraw/zinc/00/48/96/529004896.db2.gz ZTDYRWILYULSCX-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423568572 529021454 /nfs/dbraw/zinc/02/14/54/529021454.db2.gz VOZJYGIEHNNJTB-UONOGXRCSA-N 2 2 252.427 3.321 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)C1CCCC1 ZINC000449219468 529021971 /nfs/dbraw/zinc/02/19/71/529021971.db2.gz APHGFWXPGWRDLF-NVXWUHKLSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CC3(C)C)sc2C1 ZINC000426562100 529085268 /nfs/dbraw/zinc/08/52/68/529085268.db2.gz ZGFMXRZMGIDVEC-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CC3(C)C)sc2C1 ZINC000426562100 529085272 /nfs/dbraw/zinc/08/52/72/529085272.db2.gz ZGFMXRZMGIDVEC-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CC3(C)C)sc2C1 ZINC000426562100 529085275 /nfs/dbraw/zinc/08/52/75/529085275.db2.gz ZGFMXRZMGIDVEC-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H]3CC3(C)C)sc2C1 ZINC000426562100 529085279 /nfs/dbraw/zinc/08/52/79/529085279.db2.gz ZGFMXRZMGIDVEC-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000133050092 529092401 /nfs/dbraw/zinc/09/24/01/529092401.db2.gz MZSBFNTVLILEJS-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000133050092 529092402 /nfs/dbraw/zinc/09/24/02/529092402.db2.gz MZSBFNTVLILEJS-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427564188 529105656 /nfs/dbraw/zinc/10/56/56/529105656.db2.gz IYJXEAJKUHDROK-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427564188 529105659 /nfs/dbraw/zinc/10/56/59/529105659.db2.gz IYJXEAJKUHDROK-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423243637 529122636 /nfs/dbraw/zinc/12/26/36/529122636.db2.gz WRJRPELZUMLLDG-PBHICJAKSA-N 2 2 272.392 3.472 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235573 529178434 /nfs/dbraw/zinc/17/84/34/529178434.db2.gz GNIAERUBRGVGLJ-UONOGXRCSA-N 2 2 260.406 3.489 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000423544338 529202603 /nfs/dbraw/zinc/20/26/03/529202603.db2.gz CNVAPWVQFHDIIA-IUODEOHRSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368103994 529203721 /nfs/dbraw/zinc/20/37/21/529203721.db2.gz ZSQUZQDUDDLWEJ-ZIAGYGMSSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000368103994 529203723 /nfs/dbraw/zinc/20/37/23/529203723.db2.gz ZSQUZQDUDDLWEJ-ZIAGYGMSSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1F ZINC000423546533 529206822 /nfs/dbraw/zinc/20/68/22/529206822.db2.gz FLGSRMYRIVIIEX-SWLSCSKDSA-N 2 2 268.351 3.148 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368220099 529253320 /nfs/dbraw/zinc/25/33/20/529253320.db2.gz DZZKSKPVCSFMSJ-ZDUSSCGKSA-N 2 2 287.432 3.169 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368220099 529253321 /nfs/dbraw/zinc/25/33/21/529253321.db2.gz DZZKSKPVCSFMSJ-ZDUSSCGKSA-N 2 2 287.432 3.169 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659473 535268224 /nfs/dbraw/zinc/26/82/24/535268224.db2.gz KDCNXHINFSOKBW-ZIAGYGMSSA-N 2 2 251.418 3.013 20 0 CGADLP CC(C)(C[NH2+]Cc1ccoc1)[N@@H+]1CCc2ccccc2C1 ZINC000727469358 571749666 /nfs/dbraw/zinc/74/96/66/571749666.db2.gz XMSPODSKLABHBG-UHFFFAOYSA-N 2 2 284.403 3.206 20 0 CGADLP CC(C)(C[NH2+]Cc1ccoc1)[N@H+]1CCc2ccccc2C1 ZINC000727469358 571749670 /nfs/dbraw/zinc/74/96/70/571749670.db2.gz XMSPODSKLABHBG-UHFFFAOYSA-N 2 2 284.403 3.206 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000382347906 572344377 /nfs/dbraw/zinc/34/43/77/572344377.db2.gz IPYNDIUXBMKWRE-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000382347906 572344383 /nfs/dbraw/zinc/34/43/83/572344383.db2.gz IPYNDIUXBMKWRE-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000085384887 618057861 /nfs/dbraw/zinc/05/78/61/618057861.db2.gz ZWMCIFJIVCEKMM-SOUVJXGZSA-N 2 2 293.455 3.091 20 0 CGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724922 618263986 /nfs/dbraw/zinc/26/39/86/618263986.db2.gz LGIHMTYFKMRCAP-UKRRQHHQSA-N 2 2 297.402 3.113 20 0 CGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724922 618263998 /nfs/dbraw/zinc/26/39/98/618263998.db2.gz LGIHMTYFKMRCAP-UKRRQHHQSA-N 2 2 297.402 3.113 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000891724625 618265500 /nfs/dbraw/zinc/26/55/00/618265500.db2.gz GNLKMIMHIHEIEB-KRWDZBQOSA-N 2 2 283.419 3.449 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000891724625 618265502 /nfs/dbraw/zinc/26/55/02/618265502.db2.gz GNLKMIMHIHEIEB-KRWDZBQOSA-N 2 2 283.419 3.449 20 0 CGADLP CC(C)(C)c1coc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000891846383 618337431 /nfs/dbraw/zinc/33/74/31/618337431.db2.gz PCQYUZZXPYVFDJ-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP CCC[C@@](C)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000934182154 618519313 /nfs/dbraw/zinc/51/93/13/618519313.db2.gz KCPLDXZBMKFNFS-MRXNPFEDSA-N 2 2 257.381 3.188 20 0 CGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000926372709 618581804 /nfs/dbraw/zinc/58/18/04/618581804.db2.gz QJOHOYKQQZOGCB-JOCBIADPSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000926372709 618581806 /nfs/dbraw/zinc/58/18/06/618581806.db2.gz QJOHOYKQQZOGCB-JOCBIADPSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892532295 618849982 /nfs/dbraw/zinc/84/99/82/618849982.db2.gz NATXANMLUOWAEJ-UHFFFAOYSA-N 2 2 296.842 3.256 20 0 CGADLP Oc1cc(Cl)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000892678747 618901146 /nfs/dbraw/zinc/90/11/46/618901146.db2.gz HDJKVKFJCNMKCJ-UHFFFAOYSA-N 2 2 294.826 3.152 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000178343311 619022424 /nfs/dbraw/zinc/02/24/24/619022424.db2.gz QCRJBQJBVUVEBG-AWEZNQCLSA-N 2 2 297.402 3.169 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000893201789 619027521 /nfs/dbraw/zinc/02/75/21/619027521.db2.gz WYELOUHOWIUHLJ-HNNXBMFYSA-N 2 2 294.439 3.136 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000893201789 619027522 /nfs/dbraw/zinc/02/75/22/619027522.db2.gz WYELOUHOWIUHLJ-HNNXBMFYSA-N 2 2 294.439 3.136 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000925681018 619129024 /nfs/dbraw/zinc/12/90/24/619129024.db2.gz MCXBSMWHHRNHQT-WCFLWFBJSA-N 2 2 287.234 3.248 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000194439762 619140014 /nfs/dbraw/zinc/14/00/14/619140014.db2.gz HIYXEVDEJUZVCD-DOTOQJQBSA-N 2 2 288.435 3.398 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691844 619140891 /nfs/dbraw/zinc/14/08/91/619140891.db2.gz NERSFFNKRDIJCG-WMLDXEAASA-N 2 2 283.419 3.037 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925720581 619165518 /nfs/dbraw/zinc/16/55/18/619165518.db2.gz ZOJWBXUEQXNRSF-AWEZNQCLSA-N 2 2 293.361 3.267 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000094371127 619244895 /nfs/dbraw/zinc/24/48/95/619244895.db2.gz FTPFKSNBASHCOR-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000054080298 619253767 /nfs/dbraw/zinc/25/37/67/619253767.db2.gz LIXALOFBXLHLNO-ZFWWWQNUSA-N 2 2 263.429 3.466 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226434588 619275367 /nfs/dbraw/zinc/27/53/67/619275367.db2.gz VYSMAINTEQCBLL-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226434588 619275372 /nfs/dbraw/zinc/27/53/72/619275372.db2.gz VYSMAINTEQCBLL-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1 ZINC000261749119 619399676 /nfs/dbraw/zinc/39/96/76/619399676.db2.gz PXFJUEXZUSKIOO-ZWKOTPCHSA-N 2 2 292.382 3.360 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1c1ccccc1 ZINC000261749119 619399678 /nfs/dbraw/zinc/39/96/78/619399678.db2.gz PXFJUEXZUSKIOO-ZWKOTPCHSA-N 2 2 292.382 3.360 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1C(F)F ZINC000894548153 619573082 /nfs/dbraw/zinc/57/30/82/619573082.db2.gz XKZMHUNCSKZHLU-JTQLQIEISA-N 2 2 295.308 3.134 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(c1)CCCN2 ZINC000895190580 619774364 /nfs/dbraw/zinc/77/43/64/619774364.db2.gz VIEVPUMJGXMFMI-QZTJIDSGSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c2c(c1)CCCN2 ZINC000895190580 619774367 /nfs/dbraw/zinc/77/43/67/619774367.db2.gz VIEVPUMJGXMFMI-QZTJIDSGSA-N 2 2 299.462 3.151 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895557877 619849772 /nfs/dbraw/zinc/84/97/72/619849772.db2.gz RXSZXLOBCHPVSS-LBPRGKRZSA-N 2 2 291.782 3.039 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895557877 619849773 /nfs/dbraw/zinc/84/97/73/619849773.db2.gz RXSZXLOBCHPVSS-LBPRGKRZSA-N 2 2 291.782 3.039 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000895706875 619873216 /nfs/dbraw/zinc/87/32/16/619873216.db2.gz OHUBHJKMMZINFC-RHSMWYFYSA-N 2 2 269.392 3.403 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000895822636 619890900 /nfs/dbraw/zinc/89/09/00/619890900.db2.gz PNRUPFFDKOGESF-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP CSC1CC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000925183891 620219145 /nfs/dbraw/zinc/21/91/45/620219145.db2.gz KTPMFEWOCRAECR-XEBKBJJBSA-N 2 2 287.432 3.417 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446086 621308993 /nfs/dbraw/zinc/30/89/93/621308993.db2.gz RPYPTZVVCNUPBN-MORSLUCNSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000902444163 621321911 /nfs/dbraw/zinc/32/19/11/621321911.db2.gz MRIJTKCDRZEWAY-YMRXKLBXSA-N 2 2 270.351 3.101 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000902444728 621322433 /nfs/dbraw/zinc/32/24/33/621322433.db2.gz OQXKKWJAHUOFHT-ZMSDIMECSA-N 2 2 284.428 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2ccccc2c1 ZINC000902473279 621324289 /nfs/dbraw/zinc/32/42/89/621324289.db2.gz WVEPHZDKLPDIHI-PSMGESJCSA-N 2 2 266.388 3.383 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902473265 621324802 /nfs/dbraw/zinc/32/48/02/621324802.db2.gz WNXJXSPCYMNPAK-VDNDLQMASA-N 2 2 258.409 3.354 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000902484244 621353464 /nfs/dbraw/zinc/35/34/64/621353464.db2.gz VBTCKTCGMQOBSE-STQMWFEESA-N 2 2 293.480 3.205 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000902742878 621421612 /nfs/dbraw/zinc/42/16/12/621421612.db2.gz ZYWKDJUGMQQCGU-DEYYWGMASA-N 2 2 299.418 3.193 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000902794014 621449283 /nfs/dbraw/zinc/44/92/83/621449283.db2.gz RBCDNEATRLWHEY-DJIMGWMZSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000902794014 621449285 /nfs/dbraw/zinc/44/92/85/621449285.db2.gz RBCDNEATRLWHEY-DJIMGWMZSA-N 2 2 294.483 3.044 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903019111 621520617 /nfs/dbraw/zinc/52/06/17/621520617.db2.gz KIQMWFRYQJRWRX-LSDHHAIUSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903088446 621565846 /nfs/dbraw/zinc/56/58/46/621565846.db2.gz QVGUZBCDAIWOIZ-HUUCEWRRSA-N 2 2 267.376 3.489 20 0 CGADLP C([NH2+][C@H]1CCOC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000903206257 621629860 /nfs/dbraw/zinc/62/98/60/621629860.db2.gz QDTBHXOMAXUBBZ-IRXDYDNUSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000903206257 621629864 /nfs/dbraw/zinc/62/98/64/621629864.db2.gz QDTBHXOMAXUBBZ-IRXDYDNUSA-N 2 2 292.467 3.085 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccnc1 ZINC000903381173 621722850 /nfs/dbraw/zinc/72/28/50/621722850.db2.gz SLRCQIGHIHPJDQ-FGTMMUONSA-N 2 2 287.451 3.243 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000903801079 621811440 /nfs/dbraw/zinc/81/14/40/621811440.db2.gz KNCKWJGLKUFNKZ-RHSMWYFYSA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1cc2ccccc2o1 ZINC000903801079 621811442 /nfs/dbraw/zinc/81/14/42/621811442.db2.gz KNCKWJGLKUFNKZ-RHSMWYFYSA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2coc(C3CC3)n2)CCC1 ZINC000903810791 621813525 /nfs/dbraw/zinc/81/35/25/621813525.db2.gz HXWMDAWXIBBXEV-OAHLLOKOSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2coc(C3CC3)n2)CCC1 ZINC000903810791 621813530 /nfs/dbraw/zinc/81/35/30/621813530.db2.gz HXWMDAWXIBBXEV-OAHLLOKOSA-N 2 2 289.423 3.036 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000904468891 621924647 /nfs/dbraw/zinc/92/46/47/621924647.db2.gz GGGRZCQFPAUMPS-ZIAGYGMSSA-N 2 2 295.496 3.161 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000904468891 621924653 /nfs/dbraw/zinc/92/46/53/621924653.db2.gz GGGRZCQFPAUMPS-ZIAGYGMSSA-N 2 2 295.496 3.161 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000924845489 622642558 /nfs/dbraw/zinc/64/25/58/622642558.db2.gz GJVLUWVCULTRSJ-LBPRGKRZSA-N 2 2 267.442 3.058 20 0 CGADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000929720471 623530400 /nfs/dbraw/zinc/53/04/00/623530400.db2.gz XLAZAHPKYGRBLT-KRWDZBQOSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000929720471 623530407 /nfs/dbraw/zinc/53/04/07/623530407.db2.gz XLAZAHPKYGRBLT-KRWDZBQOSA-N 2 2 287.451 3.006 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000019942865 634400282 /nfs/dbraw/zinc/40/02/82/634400282.db2.gz FNEOIESVXYIDKW-HIFRSBDPSA-N 2 2 264.413 3.225 20 0 CGADLP CS[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822902 625892204 /nfs/dbraw/zinc/89/22/04/625892204.db2.gz ZMRNTYUZZQVJKQ-KBPBESRZSA-N 2 2 279.453 3.147 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000753727266 626463719 /nfs/dbraw/zinc/46/37/19/626463719.db2.gz WSNILSKSYPFYOP-INIZCTEOSA-N 2 2 287.451 3.429 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764436526 627207547 /nfs/dbraw/zinc/20/75/47/627207547.db2.gz PBWBJQSTEDPSLU-OAHLLOKOSA-N 2 2 289.467 3.500 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000766192365 627301320 /nfs/dbraw/zinc/30/13/20/627301320.db2.gz UCFZJHJBTFNLTK-AWEZNQCLSA-N 2 2 287.451 3.110 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766268428 627309230 /nfs/dbraw/zinc/30/92/30/627309230.db2.gz LCYTVFCQCMYUQO-OAGGEKHMSA-N 2 2 290.451 3.261 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766268428 627309232 /nfs/dbraw/zinc/30/92/32/627309232.db2.gz LCYTVFCQCMYUQO-OAGGEKHMSA-N 2 2 290.451 3.261 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766271955 627310436 /nfs/dbraw/zinc/31/04/36/627310436.db2.gz WMKVQHPGTUWFGR-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766271955 627310438 /nfs/dbraw/zinc/31/04/38/627310438.db2.gz WMKVQHPGTUWFGR-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471949 627557333 /nfs/dbraw/zinc/55/73/33/627557333.db2.gz ZNAYWDXICONMDG-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471949 627557336 /nfs/dbraw/zinc/55/73/36/627557336.db2.gz ZNAYWDXICONMDG-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471949 627557339 /nfs/dbraw/zinc/55/73/39/627557339.db2.gz ZNAYWDXICONMDG-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471949 627557343 /nfs/dbraw/zinc/55/73/43/627557343.db2.gz ZNAYWDXICONMDG-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)[C@H](C)C1 ZINC000771969471 627751162 /nfs/dbraw/zinc/75/11/62/627751162.db2.gz LTNXGCYTHAZLTK-ZWNOBZJWSA-N 2 2 272.845 3.221 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)[C@H](C)C1 ZINC000771969471 627751164 /nfs/dbraw/zinc/75/11/64/627751164.db2.gz LTNXGCYTHAZLTK-ZWNOBZJWSA-N 2 2 272.845 3.221 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782530084 628652542 /nfs/dbraw/zinc/65/25/42/628652542.db2.gz AFXGGADWNPCMTO-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782530084 628652543 /nfs/dbraw/zinc/65/25/43/628652543.db2.gz AFXGGADWNPCMTO-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(F)c1 ZINC000783242706 628693420 /nfs/dbraw/zinc/69/34/20/628693420.db2.gz GXIFTUZQIHZPSD-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(F)c1 ZINC000783242706 628693423 /nfs/dbraw/zinc/69/34/23/628693423.db2.gz GXIFTUZQIHZPSD-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP c1cn(-c2csc(C[NH2+]C34CCC(CC3)C4)c2)c[nH+]1 ZINC000784643556 628826969 /nfs/dbraw/zinc/82/69/69/628826969.db2.gz KPMSMXSKZDTWFG-UHFFFAOYSA-N 2 2 273.405 3.356 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865698603 630386766 /nfs/dbraw/zinc/38/67/66/630386766.db2.gz DMFQXSNIANINDG-KGLIPLIRSA-N 2 2 279.384 3.304 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817948546 632245286 /nfs/dbraw/zinc/24/52/86/632245286.db2.gz BKJGFQRTBDVYHW-SJORKVTESA-N 2 2 288.435 3.194 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817954076 632249306 /nfs/dbraw/zinc/24/93/06/632249306.db2.gz BFYPKPRBBWBDDZ-ROUUACIJSA-N 2 2 296.414 3.362 20 0 CGADLP COc1ccc[nH+]c1NCCC1CC[NH+](C(C)C)CC1 ZINC000866084547 632995091 /nfs/dbraw/zinc/99/50/91/632995091.db2.gz DMVJSGSIDPRXNN-UHFFFAOYSA-N 2 2 277.412 3.013 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866242100 633041163 /nfs/dbraw/zinc/04/11/63/633041163.db2.gz KQTYBPZHNSDYCZ-MAUKXSAKSA-N 2 2 297.446 3.240 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866242100 633041172 /nfs/dbraw/zinc/04/11/72/633041172.db2.gz KQTYBPZHNSDYCZ-MAUKXSAKSA-N 2 2 297.446 3.240 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000866386442 633116302 /nfs/dbraw/zinc/11/63/02/633116302.db2.gz AOWOWUUGGUXDML-KBAYOESNSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000866386442 633116309 /nfs/dbraw/zinc/11/63/09/633116309.db2.gz AOWOWUUGGUXDML-KBAYOESNSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(O)c1F ZINC000872018236 633938487 /nfs/dbraw/zinc/93/84/87/633938487.db2.gz KFEVUKMBQBHCER-NSHDSACASA-N 2 2 294.414 3.491 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000872022656 633943170 /nfs/dbraw/zinc/94/31/70/633943170.db2.gz KNAQPHZSIHAOBB-TWMKSMIVSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000872022656 633943172 /nfs/dbraw/zinc/94/31/72/633943172.db2.gz KNAQPHZSIHAOBB-TWMKSMIVSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000872041790 633964875 /nfs/dbraw/zinc/96/48/75/633964875.db2.gz WALFHULCOYZMQY-NEPJUHHUSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000872041790 633964880 /nfs/dbraw/zinc/96/48/80/633964880.db2.gz WALFHULCOYZMQY-NEPJUHHUSA-N 2 2 266.351 3.039 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000873029599 634234103 /nfs/dbraw/zinc/23/41/03/634234103.db2.gz LSRAREUICSKTDH-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000873029599 634234114 /nfs/dbraw/zinc/23/41/14/634234114.db2.gz LSRAREUICSKTDH-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000873217653 634287924 /nfs/dbraw/zinc/28/79/24/634287924.db2.gz NQKMXDDEXSDIER-YVSFHVDLSA-N 2 2 276.399 3.350 20 0 CGADLP CSC(C)(C)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620545 634870345 /nfs/dbraw/zinc/87/03/45/634870345.db2.gz OWEXHSQXAKEKNZ-LBPRGKRZSA-N 2 2 267.442 3.121 20 0 CGADLP CSC(C)(C)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620545 634870349 /nfs/dbraw/zinc/87/03/49/634870349.db2.gz OWEXHSQXAKEKNZ-LBPRGKRZSA-N 2 2 267.442 3.121 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCSCC1 ZINC000876957116 634937317 /nfs/dbraw/zinc/93/73/17/634937317.db2.gz URRDIDSUNCUFOT-AWEZNQCLSA-N 2 2 281.469 3.031 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000877479448 635052535 /nfs/dbraw/zinc/05/25/35/635052535.db2.gz VSLXAMHLSRZDOF-AWEZNQCLSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000877479448 635052539 /nfs/dbraw/zinc/05/25/39/635052539.db2.gz VSLXAMHLSRZDOF-AWEZNQCLSA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc2c(F)cccc2c1 ZINC000877527139 635073531 /nfs/dbraw/zinc/07/35/31/635073531.db2.gz NCSYVLIOXVBJDU-UHFFFAOYSA-N 2 2 289.398 3.148 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc2c(F)cccc2c1 ZINC000877527139 635073538 /nfs/dbraw/zinc/07/35/38/635073538.db2.gz NCSYVLIOXVBJDU-UHFFFAOYSA-N 2 2 289.398 3.148 20 0 CGADLP FC(F)(F)c1coc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000878172269 635393307 /nfs/dbraw/zinc/39/33/07/635393307.db2.gz FPIVFQDORQSYBD-UHFFFAOYSA-N 2 2 299.296 3.401 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCCC1(F)F ZINC000878177586 635397327 /nfs/dbraw/zinc/39/73/27/635397327.db2.gz XGSVLCXRDLRXSV-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCCC1(F)F ZINC000878177586 635397330 /nfs/dbraw/zinc/39/73/30/635397330.db2.gz XGSVLCXRDLRXSV-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCCC1(F)F ZINC000878177586 635397333 /nfs/dbraw/zinc/39/73/33/635397333.db2.gz XGSVLCXRDLRXSV-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCCC1(F)F ZINC000878177586 635397338 /nfs/dbraw/zinc/39/73/38/635397338.db2.gz XGSVLCXRDLRXSV-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3CC4(CCC4)C3)C2)[nH]1 ZINC000878252558 635434794 /nfs/dbraw/zinc/43/47/94/635434794.db2.gz ORJVYASBGCIIKA-AWEZNQCLSA-N 2 2 259.397 3.169 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3CC4(CCC4)C3)C2)[nH]1 ZINC000878252558 635434802 /nfs/dbraw/zinc/43/48/02/635434802.db2.gz ORJVYASBGCIIKA-AWEZNQCLSA-N 2 2 259.397 3.169 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136310 635920753 /nfs/dbraw/zinc/92/07/53/635920753.db2.gz JVPMTIKANSGHNU-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136310 635920755 /nfs/dbraw/zinc/92/07/55/635920755.db2.gz JVPMTIKANSGHNU-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136310 635920756 /nfs/dbraw/zinc/92/07/56/635920756.db2.gz JVPMTIKANSGHNU-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136310 635920759 /nfs/dbraw/zinc/92/07/59/635920759.db2.gz JVPMTIKANSGHNU-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140196 635922139 /nfs/dbraw/zinc/92/21/39/635922139.db2.gz ABFQFBCUEYHXDG-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140196 635922146 /nfs/dbraw/zinc/92/21/46/635922146.db2.gz ABFQFBCUEYHXDG-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)CC(C)(C)C ZINC000880140196 635922150 /nfs/dbraw/zinc/92/21/50/635922150.db2.gz ABFQFBCUEYHXDG-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)CC(C)(C)C ZINC000880140196 635922155 /nfs/dbraw/zinc/92/21/55/635922155.db2.gz ABFQFBCUEYHXDG-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140194 635923234 /nfs/dbraw/zinc/92/32/34/635923234.db2.gz ABFQFBCUEYHXDG-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140194 635923237 /nfs/dbraw/zinc/92/32/37/635923237.db2.gz ABFQFBCUEYHXDG-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)CC(C)(C)C ZINC000880140194 635923240 /nfs/dbraw/zinc/92/32/40/635923240.db2.gz ABFQFBCUEYHXDG-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)CC(C)(C)C ZINC000880140194 635923242 /nfs/dbraw/zinc/92/32/42/635923242.db2.gz ABFQFBCUEYHXDG-RRFJBIMHSA-N 2 2 252.446 3.227 20 0 CGADLP c1cn(CCC[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c[nH+]1 ZINC000880539526 636018334 /nfs/dbraw/zinc/01/83/34/636018334.db2.gz XTLRRTYTXBCILL-YOEHRIQHSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn(CCC[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c[nH+]1 ZINC000880539526 636018336 /nfs/dbraw/zinc/01/83/36/636018336.db2.gz XTLRRTYTXBCILL-YOEHRIQHSA-N 2 2 267.376 3.208 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC2CCC2)c2ccccc2)c[nH+]1 ZINC000880568513 636023251 /nfs/dbraw/zinc/02/32/51/636023251.db2.gz AXHFNTUBWVUFKN-MRXNPFEDSA-N 2 2 255.365 3.014 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848514952 636583238 /nfs/dbraw/zinc/58/32/38/636583238.db2.gz UTUWNEAKNUQKAL-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP CC1(C)C[C@]1(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000883252253 636624431 /nfs/dbraw/zinc/62/44/31/636624431.db2.gz APPMLPINZROMEV-CQSZACIVSA-N 2 2 292.389 3.429 20 0 CGADLP CC(C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883345403 636689847 /nfs/dbraw/zinc/68/98/47/636689847.db2.gz BMAMONSEHDWOBR-QGZVFWFLSA-N 2 2 273.424 3.039 20 0 CGADLP CC(C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883345403 636689851 /nfs/dbraw/zinc/68/98/51/636689851.db2.gz BMAMONSEHDWOBR-QGZVFWFLSA-N 2 2 273.424 3.039 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883386987 636728234 /nfs/dbraw/zinc/72/82/34/636728234.db2.gz PSZLECHXMIWYJV-MAUKXSAKSA-N 2 2 299.418 3.029 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397861 636739588 /nfs/dbraw/zinc/73/95/88/636739588.db2.gz XPCYZHLRDGTUMK-WBVHZDCISA-N 2 2 287.407 3.028 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429555 636753107 /nfs/dbraw/zinc/75/31/07/636753107.db2.gz YQNQFUJAUUUSMS-PMPSAXMXSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429555 636753113 /nfs/dbraw/zinc/75/31/13/636753113.db2.gz YQNQFUJAUUUSMS-PMPSAXMXSA-N 2 2 294.483 3.187 20 0 CGADLP C(=C/c1ccccc1)\C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133678149 636966628 /nfs/dbraw/zinc/96/66/28/636966628.db2.gz REWLSRAYPKOQBI-QPJJXVBHSA-N 2 2 270.420 3.164 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C=CCC2)C[N@@H+]1Cc1ccccc1 ZINC000850359112 637027811 /nfs/dbraw/zinc/02/78/11/637027811.db2.gz WQMJWPGFGSFRPO-SJORKVTESA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C=CCC2)C[N@H+]1Cc1ccccc1 ZINC000850359112 637027815 /nfs/dbraw/zinc/02/78/15/637027815.db2.gz WQMJWPGFGSFRPO-SJORKVTESA-N 2 2 270.420 3.348 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000850392663 637045271 /nfs/dbraw/zinc/04/52/71/637045271.db2.gz LUDYKPJMERECRS-BWTSREIZSA-N 2 2 299.462 3.110 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923281 637312803 /nfs/dbraw/zinc/31/28/03/637312803.db2.gz VUFWNWAPTYDQEU-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923281 637312807 /nfs/dbraw/zinc/31/28/07/637312807.db2.gz VUFWNWAPTYDQEU-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1coc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000886003948 637354168 /nfs/dbraw/zinc/35/41/68/637354168.db2.gz OKBXJUWLSDKOHU-QGZVFWFLSA-N 2 2 295.386 3.395 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000886508740 637545782 /nfs/dbraw/zinc/54/57/82/637545782.db2.gz LYYOKPCVWAJBQY-BZUAXINKSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540987 637566246 /nfs/dbraw/zinc/56/62/46/637566246.db2.gz OEOASTDYAFENPD-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540987 637566252 /nfs/dbraw/zinc/56/62/52/637566252.db2.gz OEOASTDYAFENPD-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000886543838 637572805 /nfs/dbraw/zinc/57/28/05/637572805.db2.gz WGBWAHWSOINVEG-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000886543838 637572807 /nfs/dbraw/zinc/57/28/07/637572807.db2.gz WGBWAHWSOINVEG-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000886707534 637666694 /nfs/dbraw/zinc/66/66/94/637666694.db2.gz KNJRKSVMMHKKJS-UHFFFAOYSA-N 2 2 276.399 3.276 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749108 637705886 /nfs/dbraw/zinc/70/58/86/637705886.db2.gz JFBKNRUFMKVMEF-ZFWWWQNUSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749108 637705894 /nfs/dbraw/zinc/70/58/94/637705894.db2.gz JFBKNRUFMKVMEF-ZFWWWQNUSA-N 2 2 293.842 3.007 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000852755816 637706727 /nfs/dbraw/zinc/70/67/27/637706727.db2.gz GHKTVTPJJLSHST-IFQILLTASA-N 2 2 284.325 3.190 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000852755816 637706729 /nfs/dbraw/zinc/70/67/29/637706729.db2.gz GHKTVTPJJLSHST-IFQILLTASA-N 2 2 284.325 3.190 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924527522 638350448 /nfs/dbraw/zinc/35/04/48/638350448.db2.gz TWNDUAQOTPXSHT-AWEZNQCLSA-N 2 2 295.858 3.290 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659700 638385819 /nfs/dbraw/zinc/38/58/19/638385819.db2.gz FOQDLMPCCCMLEE-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659700 638385823 /nfs/dbraw/zinc/38/58/23/638385823.db2.gz FOQDLMPCCCMLEE-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccns1 ZINC000924684602 638388674 /nfs/dbraw/zinc/38/86/74/638388674.db2.gz LKPHFQXVQPOUGW-MCIONIFRSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770773 638402637 /nfs/dbraw/zinc/40/26/37/638402637.db2.gz SWJPXYLAKOVOPS-IAGOWNOFSA-N 2 2 299.418 3.023 20 0 CGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000924829586 638410050 /nfs/dbraw/zinc/41/00/50/638410050.db2.gz RARBYAJGJXCMRQ-AWEZNQCLSA-N 2 2 287.407 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000924829586 638410053 /nfs/dbraw/zinc/41/00/53/638410053.db2.gz RARBYAJGJXCMRQ-AWEZNQCLSA-N 2 2 287.407 3.366 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924999274 638434934 /nfs/dbraw/zinc/43/49/34/638434934.db2.gz DOUDDPUZDCEFBH-MRXNPFEDSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000925052247 638443947 /nfs/dbraw/zinc/44/39/47/638443947.db2.gz QIZXQRBNQAECJN-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000925052247 638443951 /nfs/dbraw/zinc/44/39/51/638443951.db2.gz QIZXQRBNQAECJN-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000925303163 638493866 /nfs/dbraw/zinc/49/38/66/638493866.db2.gz MFYUYUSHPZOFKX-LBPRGKRZSA-N 2 2 280.387 3.055 20 0 CGADLP CCSc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000925732649 638587252 /nfs/dbraw/zinc/58/72/52/638587252.db2.gz QRCZBNPMTBUGMP-SWLSCSKDSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1c3ccccc3CC[C@@H]1F)[NH2+]2 ZINC000925772073 638606016 /nfs/dbraw/zinc/60/60/16/638606016.db2.gz PWQMHEXKLJUFDB-JIQRMPJHSA-N 2 2 288.410 3.131 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781960 638611870 /nfs/dbraw/zinc/61/18/70/638611870.db2.gz BTADQXUZSXZYGM-OAUYIBNBSA-N 2 2 283.419 3.051 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871808 638636777 /nfs/dbraw/zinc/63/67/77/638636777.db2.gz ITAJZZJIQDKPMI-BMGDILEWSA-N 2 2 295.430 3.007 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)sn1 ZINC000858450237 638722583 /nfs/dbraw/zinc/72/25/83/638722583.db2.gz DKOJWGNTRYTYAU-UHFFFAOYSA-N 2 2 293.480 3.277 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2[nH]1 ZINC000926223811 638746376 /nfs/dbraw/zinc/74/63/76/638746376.db2.gz FIIBMXQXYMPJLQ-TZMCWYRMSA-N 2 2 280.375 3.030 20 0 CGADLP c1cc2cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000926356763 638765636 /nfs/dbraw/zinc/76/56/36/638765636.db2.gz DOIBSWWZVMUOAQ-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000926356763 638765637 /nfs/dbraw/zinc/76/56/37/638765637.db2.gz DOIBSWWZVMUOAQ-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000926962420 638829257 /nfs/dbraw/zinc/82/92/57/638829257.db2.gz LZGBZHBUAUHIBP-GHMZBOCLSA-N 2 2 290.860 3.019 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927010627 638831030 /nfs/dbraw/zinc/83/10/30/638831030.db2.gz AUNIEWLVXHJBTM-QAPCUYQASA-N 2 2 299.418 3.482 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)c2cc3cnccc3o2)c(C)[nH+]1 ZINC000931562569 639171108 /nfs/dbraw/zinc/17/11/08/639171108.db2.gz BYMYJNYNELGTAF-SNVBAGLBSA-N 2 2 270.336 3.019 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC000415134961 640859183 /nfs/dbraw/zinc/85/91/83/640859183.db2.gz IMYLFTYZPRPHHT-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC000415134961 640859191 /nfs/dbraw/zinc/85/91/91/640859191.db2.gz IMYLFTYZPRPHHT-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP c1cn(Cc2ccc(Nc3ccc4c[nH+]cn4c3)cc2)c[nH+]1 ZINC001250328754 805574895 /nfs/dbraw/zinc/57/48/95/805574895.db2.gz UFNBNVXDRWIXQK-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP CCCCCc1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250427103 805608123 /nfs/dbraw/zinc/60/81/23/805608123.db2.gz RTCMYXYMURWGLZ-UHFFFAOYSA-N 2 2 286.423 3.047 20 0 CGADLP Cc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)cc(C(C)C)[nH+]1 ZINC001156770130 805731344 /nfs/dbraw/zinc/73/13/44/805731344.db2.gz CNMBQACPBCRNGO-UHFFFAOYSA-N 2 2 290.455 3.393 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc2ccccc21 ZINC001156974737 805760988 /nfs/dbraw/zinc/76/09/88/805760988.db2.gz SIXSEVWZYVYFJK-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP Cc1c[nH+]c(N(C)CC[N@H+](C)Cc2ccccc2)cc1C ZINC001157556326 805834140 /nfs/dbraw/zinc/83/41/40/805834140.db2.gz APCKYVCITXGVBQ-UHFFFAOYSA-N 2 2 283.419 3.267 20 0 CGADLP Cc1c[nH+]c(N(C)CC[N@@H+](C)Cc2ccccc2)cc1C ZINC001157556326 805834148 /nfs/dbraw/zinc/83/41/48/805834148.db2.gz APCKYVCITXGVBQ-UHFFFAOYSA-N 2 2 283.419 3.267 20 0 CGADLP CCC[NH+]1C[C@H]2CN(c3cc(C)c4ccccc4[nH+]3)C[C@@H]2C1 ZINC001157692027 805852885 /nfs/dbraw/zinc/85/28/85/805852885.db2.gz SXCXWYSTJFXZQK-HOTGVXAUSA-N 2 2 295.430 3.321 20 0 CGADLP Cc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001157742130 805860554 /nfs/dbraw/zinc/86/05/54/805860554.db2.gz CVOLEUOFAFYZGG-SWLSCSKDSA-N 2 2 288.439 3.149 20 0 CGADLP CC[C@H](C)C[C@@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157882352 805894954 /nfs/dbraw/zinc/89/49/54/805894954.db2.gz RUZUXDDILAFRQF-LSDHHAIUSA-N 2 2 290.455 3.070 20 0 CGADLP C[C@]1(C[NH3+])CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001158676276 805984268 /nfs/dbraw/zinc/98/42/68/805984268.db2.gz ZWIGRQOFTWIYNC-GOSISDBHSA-N 2 2 281.403 3.314 20 0 CGADLP Cc1ccc(Nc2cccc3c2CC[NH2+]C3)c(C)[nH+]1 ZINC001159107239 806042043 /nfs/dbraw/zinc/04/20/43/806042043.db2.gz MHUHSFKJDDGNDV-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP CCc1cccc(Nc2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001159280920 806074005 /nfs/dbraw/zinc/07/40/05/806074005.db2.gz HMCWUEPVBCYXOB-UHFFFAOYSA-N 2 2 253.349 3.033 20 0 CGADLP Clc1cc2ns[nH]c-2cc1=[NH+]C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159945520 806202383 /nfs/dbraw/zinc/20/23/83/806202383.db2.gz BENKEDNWCJZDGI-SFYZADRCSA-N 2 2 292.795 3.165 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001253449190 806221022 /nfs/dbraw/zinc/22/10/22/806221022.db2.gz LQPYFTUPKQXHEW-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161175846 806354680 /nfs/dbraw/zinc/35/46/80/806354680.db2.gz MEGABTWBZOGRET-AWEZNQCLSA-N 2 2 297.402 3.282 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161175846 806354689 /nfs/dbraw/zinc/35/46/89/806354689.db2.gz MEGABTWBZOGRET-AWEZNQCLSA-N 2 2 297.402 3.282 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512967 806433047 /nfs/dbraw/zinc/43/30/47/806433047.db2.gz UIMVZPKSSBPJEE-UKRRQHHQSA-N 2 2 293.842 3.260 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512967 806433053 /nfs/dbraw/zinc/43/30/53/806433053.db2.gz UIMVZPKSSBPJEE-UKRRQHHQSA-N 2 2 293.842 3.260 20 0 CGADLP Cc1cc(NCCCC[NH+](C)C)nc(-c2ccccc2)[nH+]1 ZINC001161724512 806436229 /nfs/dbraw/zinc/43/62/29/806436229.db2.gz AGXUGCPKTKOVHC-UHFFFAOYSA-N 2 2 284.407 3.206 20 0 CGADLP Fc1cccc(Cl)c1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833149 806492273 /nfs/dbraw/zinc/49/22/73/806492273.db2.gz VLIWKBLFEOAERH-CYBMUJFWSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254837332 806494252 /nfs/dbraw/zinc/49/42/52/806494252.db2.gz STGQZCMKHTVWSD-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP COc1ccc(C(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840564 806494796 /nfs/dbraw/zinc/49/47/96/806494796.db2.gz JGPXPVIISNCDLV-INIZCTEOSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851851 806498651 /nfs/dbraw/zinc/49/86/51/806498651.db2.gz CGDTXNGYRLZZSZ-PBHICJAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851851 806498655 /nfs/dbraw/zinc/49/86/55/806498655.db2.gz CGDTXNGYRLZZSZ-PBHICJAKSA-N 2 2 270.420 3.090 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(C)cc[nH+]2)c1 ZINC001162128118 806510340 /nfs/dbraw/zinc/51/03/40/806510340.db2.gz HAAJYTQJXONISU-UHFFFAOYSA-N 2 2 271.364 3.183 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCSCC2)c1 ZINC001255088108 806539947 /nfs/dbraw/zinc/53/99/47/806539947.db2.gz WFYRSLMFNZRMKT-UHFFFAOYSA-N 2 2 273.405 3.077 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001162390096 806573899 /nfs/dbraw/zinc/57/38/99/806573899.db2.gz KUOFCPJHOYNXCY-CYBMUJFWSA-N 2 2 276.428 3.195 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001162390096 806573906 /nfs/dbraw/zinc/57/39/06/806573906.db2.gz KUOFCPJHOYNXCY-CYBMUJFWSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255381567 806631142 /nfs/dbraw/zinc/63/11/42/806631142.db2.gz QHYAOALJSGPMDO-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381567 806631148 /nfs/dbraw/zinc/63/11/48/806631148.db2.gz QHYAOALJSGPMDO-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001162675705 806645053 /nfs/dbraw/zinc/64/50/53/806645053.db2.gz BGKYYSMYCHTYBQ-IUODEOHRSA-N 2 2 292.386 3.392 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000037977205 798880987 /nfs/dbraw/zinc/88/09/87/798880987.db2.gz UBKHOZJHLJCXEL-UHFFFAOYSA-N 2 2 288.391 3.015 20 0 CGADLP c1cn(Cc2cccc(C[NH2+]C3CCCCC3)c2)c[nH+]1 ZINC000075774461 798923245 /nfs/dbraw/zinc/92/32/45/798923245.db2.gz HCIPAHHWOINIIH-UHFFFAOYSA-N 2 2 269.392 3.354 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255685720 806705286 /nfs/dbraw/zinc/70/52/86/806705286.db2.gz WGSVVGLTKNBNCA-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255685720 806705288 /nfs/dbraw/zinc/70/52/88/806705288.db2.gz WGSVVGLTKNBNCA-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C(C)C)C1)C1CC1 ZINC000300665368 799205458 /nfs/dbraw/zinc/20/54/58/799205458.db2.gz BMFOPAOJUZTBEK-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C(C)C)C1)C1CC1 ZINC000300665368 799205461 /nfs/dbraw/zinc/20/54/61/799205461.db2.gz BMFOPAOJUZTBEK-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc2cc[nH+]c(Nc3cccc(CC[NH3+])c3)c2c1 ZINC000313168799 799230296 /nfs/dbraw/zinc/23/02/96/799230296.db2.gz XELYVSCBHAGYPE-UHFFFAOYSA-N 2 2 293.370 3.488 20 0 CGADLP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Cl)n1 ZINC000320958884 799247626 /nfs/dbraw/zinc/24/76/26/799247626.db2.gz UFVWZDCUMLXVOC-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Cl)n1 ZINC000320958884 799247632 /nfs/dbraw/zinc/24/76/32/799247632.db2.gz UFVWZDCUMLXVOC-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Cl)n1 ZINC000320958884 799247635 /nfs/dbraw/zinc/24/76/35/799247635.db2.gz UFVWZDCUMLXVOC-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Cl)n1 ZINC000320958884 799247640 /nfs/dbraw/zinc/24/76/40/799247640.db2.gz UFVWZDCUMLXVOC-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cc2ccccc2o1 ZINC000328496115 799252699 /nfs/dbraw/zinc/25/26/99/799252699.db2.gz QHLKFHPJTOMOLX-MWDSVXIZSA-N 2 2 282.387 3.080 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1csc2ccccc12 ZINC000381359032 799377674 /nfs/dbraw/zinc/37/76/74/799377674.db2.gz JVVWOEILOXAZCM-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC000381359032 799377678 /nfs/dbraw/zinc/37/76/78/799377678.db2.gz JVVWOEILOXAZCM-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000381531084 799382025 /nfs/dbraw/zinc/38/20/25/799382025.db2.gz AQEYMPZCVGWIAH-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000381531084 799382032 /nfs/dbraw/zinc/38/20/32/799382032.db2.gz AQEYMPZCVGWIAH-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000382276811 799395081 /nfs/dbraw/zinc/39/50/81/799395081.db2.gz NWIAPDVOJXSDEN-QDIHITRGSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000382982921 799397748 /nfs/dbraw/zinc/39/77/48/799397748.db2.gz YATLQEBHZZYVKX-SECBINFHSA-N 2 2 278.343 3.078 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000382982921 799397754 /nfs/dbraw/zinc/39/77/54/799397754.db2.gz YATLQEBHZZYVKX-SECBINFHSA-N 2 2 278.343 3.078 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000389526021 799463148 /nfs/dbraw/zinc/46/31/48/799463148.db2.gz HQYOERNYEGLMEE-GPANFISMSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000389526021 799463151 /nfs/dbraw/zinc/46/31/51/799463151.db2.gz HQYOERNYEGLMEE-GPANFISMSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163365756 806749643 /nfs/dbraw/zinc/74/96/43/806749643.db2.gz MVHQWMLEOCEYAS-RISCZKNCSA-N 2 2 265.376 3.060 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163365756 806749646 /nfs/dbraw/zinc/74/96/46/806749646.db2.gz MVHQWMLEOCEYAS-RISCZKNCSA-N 2 2 265.376 3.060 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951941 799669338 /nfs/dbraw/zinc/66/93/38/799669338.db2.gz RYNGPBLQSMDYKS-BRWVUGGUSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951941 799669345 /nfs/dbraw/zinc/66/93/45/799669345.db2.gz RYNGPBLQSMDYKS-BRWVUGGUSA-N 2 2 262.441 3.172 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255855449 806770714 /nfs/dbraw/zinc/77/07/14/806770714.db2.gz BDCNEIZIFBMJBZ-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255855449 806770717 /nfs/dbraw/zinc/77/07/17/806770717.db2.gz BDCNEIZIFBMJBZ-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255871434 806776290 /nfs/dbraw/zinc/77/62/90/806776290.db2.gz ARRMNUTYMDFOBR-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255871434 806776295 /nfs/dbraw/zinc/77/62/95/806776295.db2.gz ARRMNUTYMDFOBR-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255874566 806778162 /nfs/dbraw/zinc/77/81/62/806778162.db2.gz BHSDSRUTXVMWCK-UKRRQHHQSA-N 2 2 287.382 3.293 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cccc(C)n1 ZINC001255942812 806791516 /nfs/dbraw/zinc/79/15/16/806791516.db2.gz BHUHORYISCAUGB-HUUCEWRRSA-N 2 2 263.429 3.161 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC001255942428 806791764 /nfs/dbraw/zinc/79/17/64/806791764.db2.gz GHIJNBRJFGTVFK-LSDHHAIUSA-N 2 2 263.429 3.161 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708798464 799994074 /nfs/dbraw/zinc/99/40/74/799994074.db2.gz CCINKYQAEHYNBC-SOUVJXGZSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708798464 799994078 /nfs/dbraw/zinc/99/40/78/799994078.db2.gz CCINKYQAEHYNBC-SOUVJXGZSA-N 2 2 252.446 3.274 20 0 CGADLP Clc1ccc2c(C[NH+]3CC4(C3)CCC[NH2+]C4)c[nH]c2c1 ZINC000709998182 800026364 /nfs/dbraw/zinc/02/63/64/800026364.db2.gz VOYQYUSPHLMFOV-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256069182 806808873 /nfs/dbraw/zinc/80/88/73/806808873.db2.gz UNCVUQNNYLIJBJ-SFHVURJKSA-N 2 2 285.435 3.058 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC001256069550 806810915 /nfs/dbraw/zinc/81/09/15/806810915.db2.gz GUTNPGLLBRDUEV-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072666 806811276 /nfs/dbraw/zinc/81/12/76/806811276.db2.gz FMBGEKAAOOIIRW-CQSZACIVSA-N 2 2 270.420 3.233 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072666 806811282 /nfs/dbraw/zinc/81/12/82/806811282.db2.gz FMBGEKAAOOIIRW-CQSZACIVSA-N 2 2 270.420 3.233 20 0 CGADLP CC[N@H+](Cc1ccccc1F)C1CC[NH+](C2CC2)CC1 ZINC001256080790 806815421 /nfs/dbraw/zinc/81/54/21/806815421.db2.gz BZBBACQIDCRTTB-UHFFFAOYSA-N 2 2 276.399 3.274 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)C1CC[NH+](C2CC2)CC1 ZINC001256080790 806815430 /nfs/dbraw/zinc/81/54/30/806815430.db2.gz BZBBACQIDCRTTB-UHFFFAOYSA-N 2 2 276.399 3.274 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000721594065 800295464 /nfs/dbraw/zinc/29/54/64/800295464.db2.gz NLGIWMWITNKDTR-KKUMJFAQSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000721594065 800295466 /nfs/dbraw/zinc/29/54/66/800295466.db2.gz NLGIWMWITNKDTR-KKUMJFAQSA-N 2 2 282.472 3.043 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001256207517 806849629 /nfs/dbraw/zinc/84/96/29/806849629.db2.gz KZFIYWSDVACIMH-QGZVFWFLSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2F)CC1 ZINC001256207517 806849633 /nfs/dbraw/zinc/84/96/33/806849633.db2.gz KZFIYWSDVACIMH-QGZVFWFLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H](Cc1ccccn1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001256408034 806885501 /nfs/dbraw/zinc/88/55/01/806885501.db2.gz UXEYNXMPGVEKMG-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP CCOC1CCC([N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001256446510 806901319 /nfs/dbraw/zinc/90/13/19/806901319.db2.gz FOAHDTYRZYIYGM-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP CCOC1CCC([N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001256446510 806901325 /nfs/dbraw/zinc/90/13/25/806901325.db2.gz FOAHDTYRZYIYGM-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548932 806914670 /nfs/dbraw/zinc/91/46/70/806914670.db2.gz CSGNZZYFLQSMTC-USXIJHARSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548932 806914674 /nfs/dbraw/zinc/91/46/74/806914674.db2.gz CSGNZZYFLQSMTC-USXIJHARSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256548932 806914679 /nfs/dbraw/zinc/91/46/79/806914679.db2.gz CSGNZZYFLQSMTC-USXIJHARSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256548932 806914683 /nfs/dbraw/zinc/91/46/83/806914683.db2.gz CSGNZZYFLQSMTC-USXIJHARSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256551727 806914813 /nfs/dbraw/zinc/91/48/13/806914813.db2.gz VELAGOXSMCQISC-NXHRZFHOSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551727 806914815 /nfs/dbraw/zinc/91/48/15/806914815.db2.gz VELAGOXSMCQISC-NXHRZFHOSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551727 806914820 /nfs/dbraw/zinc/91/48/20/806914820.db2.gz VELAGOXSMCQISC-NXHRZFHOSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551727 806914826 /nfs/dbraw/zinc/91/48/26/806914826.db2.gz VELAGOXSMCQISC-NXHRZFHOSA-N 2 2 290.426 3.473 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC001116289444 802325736 /nfs/dbraw/zinc/32/57/36/802325736.db2.gz WCEGHDZCYWOZAU-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC001116289444 802325743 /nfs/dbraw/zinc/32/57/43/802325743.db2.gz WCEGHDZCYWOZAU-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/C1CCCC1 ZINC001118280743 802545470 /nfs/dbraw/zinc/54/54/70/802545470.db2.gz RLMKDCUPUAPFBB-VOTSOKGWSA-N 2 2 296.374 3.261 20 0 CGADLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1N ZINC001244308547 803291085 /nfs/dbraw/zinc/29/10/85/803291085.db2.gz ILFANBIRCJAGFN-SFHVURJKSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1N ZINC001244308547 803291087 /nfs/dbraw/zinc/29/10/87/803291087.db2.gz ILFANBIRCJAGFN-SFHVURJKSA-N 2 2 295.430 3.031 20 0 CGADLP C[NH+](C)Cc1cccc(-c2cc3[nH]ccc3c[nH+]2)c1F ZINC001244864427 803555554 /nfs/dbraw/zinc/55/55/54/803555554.db2.gz SCVAOPRMUUAZSW-UHFFFAOYSA-N 2 2 269.323 3.431 20 0 CGADLP CNc1cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)cc[nH+]1 ZINC001244971919 803597869 /nfs/dbraw/zinc/59/78/69/803597869.db2.gz AXDSOEFVUDYWCE-UHFFFAOYSA-N 2 2 291.398 3.438 20 0 CGADLP Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)[nH+]c1N ZINC001245346451 803706320 /nfs/dbraw/zinc/70/63/20/803706320.db2.gz LVPGHWXYNCODCF-CQSZACIVSA-N 2 2 253.349 3.064 20 0 CGADLP Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(C[NH+](C)C)c1 ZINC001245541715 803799927 /nfs/dbraw/zinc/79/99/27/803799927.db2.gz WVWHETQBRITXFE-UHFFFAOYSA-N 2 2 255.365 3.009 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246077120 804116293 /nfs/dbraw/zinc/11/62/93/804116293.db2.gz QUGXQWUXFQLWHI-QZTJIDSGSA-N 2 2 268.404 3.297 20 0 CGADLP c1c2ccccc2oc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001139064875 804121610 /nfs/dbraw/zinc/12/16/10/804121610.db2.gz IBVHWUOKMBKWGS-UHFFFAOYSA-N 2 2 270.376 3.103 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC001139064012 804122153 /nfs/dbraw/zinc/12/21/53/804122153.db2.gz JAKIFABITSFAGY-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC001139064012 804122156 /nfs/dbraw/zinc/12/21/56/804122156.db2.gz JAKIFABITSFAGY-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246129708 804156273 /nfs/dbraw/zinc/15/62/73/804156273.db2.gz TYOLWJHERNUOBJ-INIZCTEOSA-N 2 2 282.472 3.236 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC001246157452 804174311 /nfs/dbraw/zinc/17/43/11/804174311.db2.gz BEDGSGVLYZGROH-HIFRSBDPSA-N 2 2 284.806 3.345 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246167967 804182972 /nfs/dbraw/zinc/18/29/72/804182972.db2.gz BMFSVSMRFPLIII-HIFRSBDPSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001139361463 804183801 /nfs/dbraw/zinc/18/38/01/804183801.db2.gz QOLHTBQFEDDCOL-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001139361463 804183803 /nfs/dbraw/zinc/18/38/03/804183803.db2.gz QOLHTBQFEDDCOL-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC001246168687 804184240 /nfs/dbraw/zinc/18/42/40/804184240.db2.gz FLPCNSWXYXUZRA-STQMWFEESA-N 2 2 252.427 3.321 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC001246168686 804184986 /nfs/dbraw/zinc/18/49/86/804184986.db2.gz FLPCNSWXYXUZRA-QWHCGFSZSA-N 2 2 252.427 3.321 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246182149 804195244 /nfs/dbraw/zinc/19/52/44/804195244.db2.gz YGRHOCSRLRJPMF-GOEBONIOSA-N 2 2 258.409 3.186 20 0 CGADLP CC[C@H]1CC([NH2+]Cc2c(F)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246185200 804197434 /nfs/dbraw/zinc/19/74/34/804197434.db2.gz AXXWLDPABFXOMH-STQMWFEESA-N 2 2 294.414 3.233 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC001246189899 804200435 /nfs/dbraw/zinc/20/04/35/804200435.db2.gz KNVVINLGPJNYCD-XWUBHJNHSA-N 2 2 292.389 3.331 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195449 804203491 /nfs/dbraw/zinc/20/34/91/804203491.db2.gz SIBUENDALTVLDY-OLZOCXBDSA-N 2 2 280.378 3.475 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246206762 804206767 /nfs/dbraw/zinc/20/67/67/804206767.db2.gz SMBSCTOWGHFKMX-SOUVJXGZSA-N 2 2 268.420 3.169 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246219118 804213732 /nfs/dbraw/zinc/21/37/32/804213732.db2.gz XKYDLKUNNMQVES-RBSFLKMASA-N 2 2 258.425 3.415 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246226470 804220028 /nfs/dbraw/zinc/22/00/28/804220028.db2.gz QTPYZUXAZBUBBP-WDNDVIMCSA-N 2 2 282.378 3.364 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246229362 804222333 /nfs/dbraw/zinc/22/23/33/804222333.db2.gz KXVFEPJGFJRVQA-GDBMZVCRSA-N 2 2 258.409 3.186 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c2ccccc12 ZINC001246257367 804240271 /nfs/dbraw/zinc/24/02/71/804240271.db2.gz SBQWSPURDUYLIU-GDBMZVCRSA-N 2 2 268.404 3.378 20 0 CGADLP Clc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001246255880 804240478 /nfs/dbraw/zinc/24/04/78/804240478.db2.gz XSEAAFFVSIUAJL-UHFFFAOYSA-N 2 2 285.218 3.324 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)c1 ZINC001246271067 804249952 /nfs/dbraw/zinc/24/99/52/804249952.db2.gz DNBNAQZYVUFYEI-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246274594 804251708 /nfs/dbraw/zinc/25/17/08/804251708.db2.gz XZLFZZABVGDTIZ-CVEARBPZSA-N 2 2 264.388 3.399 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246286018 804260704 /nfs/dbraw/zinc/26/07/04/804260704.db2.gz HBLZLAIBJHGPRC-KCXAZCMYSA-N 2 2 264.388 3.397 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246294807 804264044 /nfs/dbraw/zinc/26/40/44/804264044.db2.gz NCXLGLZFHGNACI-ULQDDVLXSA-N 2 2 284.488 3.482 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246296071 804264486 /nfs/dbraw/zinc/26/44/86/804264486.db2.gz XPFZPLKPTOOGEZ-GZBFAFLISA-N 2 2 294.414 3.262 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246295111 804264576 /nfs/dbraw/zinc/26/45/76/804264576.db2.gz XOYVYGNOZCBQKK-LYRGGWFBSA-N 2 2 262.372 3.007 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246294402 804264823 /nfs/dbraw/zinc/26/48/23/804264823.db2.gz WNTJHWJJIDXXIH-JKSUJKDBSA-N 2 2 264.388 3.255 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246295113 804264884 /nfs/dbraw/zinc/26/48/84/804264884.db2.gz XOYVYGNOZCBQKK-RLCCDNCMSA-N 2 2 262.372 3.007 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC001246318948 804279672 /nfs/dbraw/zinc/27/96/72/804279672.db2.gz VSYANDQDOXCMIH-OBJOEFQTSA-N 2 2 266.816 3.440 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CSCC[NH2+]3)C2)cc1 ZINC001246336055 804291251 /nfs/dbraw/zinc/29/12/51/804291251.db2.gz LCHFAVWAGFRTEY-IXDOHACOSA-N 2 2 290.476 3.007 20 0 CGADLP CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246348822 804298530 /nfs/dbraw/zinc/29/85/30/804298530.db2.gz JCJSXNOXNBFROL-RWMBFGLXSA-N 2 2 282.378 3.454 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2F)CC[NH2+]1 ZINC001246347592 804298694 /nfs/dbraw/zinc/29/86/94/804298694.db2.gz ALAFTHCREHYWBJ-CABCVRRESA-N 2 2 294.414 3.235 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2F)CC[NH2+]1 ZINC001246399421 804321622 /nfs/dbraw/zinc/32/16/22/804321622.db2.gz ZCXCJJKFHJWCMX-DETPVDSQSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC(C)(C)C1 ZINC001140027836 804354399 /nfs/dbraw/zinc/35/43/99/804354399.db2.gz CTUBAFAWBXWRCB-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC(C)(C)C1 ZINC001140027836 804354408 /nfs/dbraw/zinc/35/44/08/804354408.db2.gz CTUBAFAWBXWRCB-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC001246509870 804367734 /nfs/dbraw/zinc/36/77/34/804367734.db2.gz JWRDEFYUAQSAHE-SMKXDYDZSA-N 2 2 276.424 3.109 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536180 804385004 /nfs/dbraw/zinc/38/50/04/804385004.db2.gz CTIXUOCSDWERBK-HOTGVXAUSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536180 804385010 /nfs/dbraw/zinc/38/50/10/804385010.db2.gz CTIXUOCSDWERBK-HOTGVXAUSA-N 2 2 278.827 3.229 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558268 804408645 /nfs/dbraw/zinc/40/86/45/804408645.db2.gz KFNXNAPDIJRMIB-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558268 804408649 /nfs/dbraw/zinc/40/86/49/804408649.db2.gz KFNXNAPDIJRMIB-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246561033 804410281 /nfs/dbraw/zinc/41/02/81/804410281.db2.gz HVBSYLHEZASXRA-TYNCELHUSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246561033 804410285 /nfs/dbraw/zinc/41/02/85/804410285.db2.gz HVBSYLHEZASXRA-TYNCELHUSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246606315 804441977 /nfs/dbraw/zinc/44/19/77/804441977.db2.gz DSDZAKNZNRYYDU-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246606315 804441981 /nfs/dbraw/zinc/44/19/81/804441981.db2.gz DSDZAKNZNRYYDU-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246615967 804450420 /nfs/dbraw/zinc/45/04/20/804450420.db2.gz YSXUVHVYCHVLMB-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246615967 804450423 /nfs/dbraw/zinc/45/04/23/804450423.db2.gz YSXUVHVYCHVLMB-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP CCCCC(CCCC)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246646437 804473862 /nfs/dbraw/zinc/47/38/62/804473862.db2.gz DZHLVELBMARORK-KRWDZBQOSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC(CCCC)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246646437 804473865 /nfs/dbraw/zinc/47/38/65/804473865.db2.gz DZHLVELBMARORK-KRWDZBQOSA-N 2 2 282.472 3.190 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246647563 804475857 /nfs/dbraw/zinc/47/58/57/804475857.db2.gz IFBOVJHPSNGFDQ-JXQTWKCFSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246647563 804475861 /nfs/dbraw/zinc/47/58/61/804475861.db2.gz IFBOVJHPSNGFDQ-JXQTWKCFSA-N 2 2 290.373 3.326 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649018 804477046 /nfs/dbraw/zinc/47/70/46/804477046.db2.gz ODSOZNUJOBNNIJ-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649018 804477049 /nfs/dbraw/zinc/47/70/49/804477049.db2.gz ODSOZNUJOBNNIJ-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666433 804488544 /nfs/dbraw/zinc/48/85/44/804488544.db2.gz UYQNCWAWPVVVJO-UNQWWWNPSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666433 804488546 /nfs/dbraw/zinc/48/85/46/804488546.db2.gz UYQNCWAWPVVVJO-UNQWWWNPSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840623 804547855 /nfs/dbraw/zinc/54/78/55/804547855.db2.gz OQZOZYPEASOCRU-XLIONFOSSA-N 2 2 294.442 3.482 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840623 804547863 /nfs/dbraw/zinc/54/78/63/804547863.db2.gz OQZOZYPEASOCRU-XLIONFOSSA-N 2 2 294.442 3.482 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838831 804548707 /nfs/dbraw/zinc/54/87/07/804548707.db2.gz VXYNYFGEFHOIGC-YESZJQIVSA-N 2 2 278.415 3.015 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838831 804548708 /nfs/dbraw/zinc/54/87/08/804548708.db2.gz VXYNYFGEFHOIGC-YESZJQIVSA-N 2 2 278.415 3.015 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246845171 804554543 /nfs/dbraw/zinc/55/45/43/804554543.db2.gz LIFWSPVHTRZSLU-NCOADZHNSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246845171 804554549 /nfs/dbraw/zinc/55/45/49/804554549.db2.gz LIFWSPVHTRZSLU-NCOADZHNSA-N 2 2 282.472 3.390 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC001141198086 804609428 /nfs/dbraw/zinc/60/94/28/804609428.db2.gz UUGZZXFMDKVVQQ-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC001141198086 804609433 /nfs/dbraw/zinc/60/94/33/804609433.db2.gz UUGZZXFMDKVVQQ-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CC1(C)C ZINC001141244399 804624713 /nfs/dbraw/zinc/62/47/13/804624713.db2.gz MAEADTRNNGLVBA-HNNXBMFYSA-N 2 2 269.392 3.350 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H]1CC1(C)C ZINC001141244399 804624718 /nfs/dbraw/zinc/62/47/18/804624718.db2.gz MAEADTRNNGLVBA-HNNXBMFYSA-N 2 2 269.392 3.350 20 0 CGADLP Cc1ccc2c(c1)[nH+]c(CC1CC[NH2+]CC1)n2CC1CC1 ZINC001247045222 804651825 /nfs/dbraw/zinc/65/18/25/804651825.db2.gz AFJYMCZZABZKJA-UHFFFAOYSA-N 2 2 283.419 3.297 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2coc3ccc(F)cc23)CC1 ZINC001141852481 804674726 /nfs/dbraw/zinc/67/47/26/804674726.db2.gz FSSDKHNHHRTCSO-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc3ccc(F)cc23)CC1 ZINC001141852481 804674728 /nfs/dbraw/zinc/67/47/28/804674728.db2.gz FSSDKHNHHRTCSO-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)ccc2[nH+]1 ZINC001143028223 804796631 /nfs/dbraw/zinc/79/66/31/804796631.db2.gz XVHCIXIRMDCWCV-LSDHHAIUSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)ccc2[nH+]1 ZINC001143028223 804796637 /nfs/dbraw/zinc/79/66/37/804796637.db2.gz XVHCIXIRMDCWCV-LSDHHAIUSA-N 2 2 255.365 3.099 20 0 CGADLP F[C@@H]1CCC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143027733 804797055 /nfs/dbraw/zinc/79/70/55/804797055.db2.gz QZMBZWNHAYOXQJ-OAHLLOKOSA-N 2 2 287.382 3.439 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc(OC(F)F)[nH+]1 ZINC001165300730 806990663 /nfs/dbraw/zinc/99/06/63/806990663.db2.gz RVLIFRHCJUCHHG-LBPRGKRZSA-N 2 2 299.365 3.135 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc(OC(F)F)[nH+]1 ZINC001165300730 806990666 /nfs/dbraw/zinc/99/06/66/806990666.db2.gz RVLIFRHCJUCHHG-LBPRGKRZSA-N 2 2 299.365 3.135 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(F)c1 ZINC001143611147 804875167 /nfs/dbraw/zinc/87/51/67/804875167.db2.gz RNWVODKPUWNFPP-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(F)c(F)c1 ZINC001143611147 804875176 /nfs/dbraw/zinc/87/51/76/804875176.db2.gz RNWVODKPUWNFPP-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C)n1 ZINC001248871914 805025331 /nfs/dbraw/zinc/02/53/31/805025331.db2.gz JHLDGUIZXRWHAV-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C)n1 ZINC001248871914 805025342 /nfs/dbraw/zinc/02/53/42/805025342.db2.gz JHLDGUIZXRWHAV-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP C[C@@H]1CC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC001257084890 807046762 /nfs/dbraw/zinc/04/67/62/807046762.db2.gz GVPNEZUMAGLSSP-CHWSQXEVSA-N 2 2 285.391 3.137 20 0 CGADLP [NH3+]CC1(F)CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC001165262937 806983484 /nfs/dbraw/zinc/98/34/84/806983484.db2.gz PXBXFSSDPNQKQL-UHFFFAOYSA-N 2 2 285.366 3.016 20 0 CGADLP Cc1cc(NCC2CC[NH+](C(C)C)CC2)[nH+]c2cc[nH]c21 ZINC001166635735 807074169 /nfs/dbraw/zinc/07/41/69/807074169.db2.gz FHBJFQGZJCDURP-UHFFFAOYSA-N 2 2 286.423 3.404 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001257431460 807153526 /nfs/dbraw/zinc/15/35/26/807153526.db2.gz GGUUKUYXNLHRES-CYBMUJFWSA-N 2 2 278.415 3.487 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCCCC4)C[C@@H]3C2)ccn1 ZINC001257457858 807166437 /nfs/dbraw/zinc/16/64/37/807166437.db2.gz NAVOXEVFCSFBKG-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](C4CCCCC4)C[C@@H]3C2)ccn1 ZINC001257457858 807166440 /nfs/dbraw/zinc/16/64/40/807166440.db2.gz NAVOXEVFCSFBKG-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCCCC4)C[C@@H]3C2)ccn1 ZINC001257457858 807166444 /nfs/dbraw/zinc/16/64/44/807166444.db2.gz NAVOXEVFCSFBKG-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](C4CCCCC4)C[C@@H]3C2)ccn1 ZINC001257457858 807166449 /nfs/dbraw/zinc/16/64/49/807166449.db2.gz NAVOXEVFCSFBKG-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001258012948 807266049 /nfs/dbraw/zinc/26/60/49/807266049.db2.gz JKFZIBYIJIGHIJ-OKILXGFUSA-N 2 2 286.410 3.084 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001258012948 807266061 /nfs/dbraw/zinc/26/60/61/807266061.db2.gz JKFZIBYIJIGHIJ-OKILXGFUSA-N 2 2 286.410 3.084 20 0 CGADLP c1cn(Cc2ccc(Nc3c[nH+]c4ccccn34)cc2)c[nH+]1 ZINC001212693344 815105501 /nfs/dbraw/zinc/10/55/01/815105501.db2.gz QHVSJIDOXRUYSH-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP C[C@@H]1CC([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171426 807338228 /nfs/dbraw/zinc/33/82/28/807338228.db2.gz YKRBUOUHTUKKTF-NXNVCVFFSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171426 807338236 /nfs/dbraw/zinc/33/82/36/807338236.db2.gz YKRBUOUHTUKKTF-NXNVCVFFSA-N 2 2 282.447 3.319 20 0 CGADLP Cc1ccc(N([C@@H](C)Cc2ccco2)C2CC[NH2+]CC2)[nH+]c1 ZINC001258198192 807356988 /nfs/dbraw/zinc/35/69/88/807356988.db2.gz WPBRTOIGGBMKJY-HNNXBMFYSA-N 2 2 299.418 3.173 20 0 CGADLP CC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001168225176 807357009 /nfs/dbraw/zinc/35/70/09/807357009.db2.gz ULGKYOPSINWLGU-UHFFFAOYSA-N 2 2 291.414 3.358 20 0 CGADLP CC(C)[N@H+]([C@@H](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC001258197023 807357277 /nfs/dbraw/zinc/35/72/77/807357277.db2.gz IBEBXNRAOPAPQH-AWEZNQCLSA-N 2 2 264.413 3.015 20 0 CGADLP CC(C)[N@@H+]([C@@H](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC001258197023 807357285 /nfs/dbraw/zinc/35/72/85/807357285.db2.gz IBEBXNRAOPAPQH-AWEZNQCLSA-N 2 2 264.413 3.015 20 0 CGADLP CSCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258228305 807376744 /nfs/dbraw/zinc/37/67/44/807376744.db2.gz JCLPIYIEUNCMPX-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP CSCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258228305 807376753 /nfs/dbraw/zinc/37/67/53/807376753.db2.gz JCLPIYIEUNCMPX-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001168468760 807428121 /nfs/dbraw/zinc/42/81/21/807428121.db2.gz OCTWGBGLDNWHJD-HZPDHXFCSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258456145 807461499 /nfs/dbraw/zinc/46/14/99/807461499.db2.gz YIDRCEZQFGLIDH-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)CC2CC2)C1 ZINC001258469421 807467950 /nfs/dbraw/zinc/46/79/50/807467950.db2.gz BZIOALKAJSMEGA-UKRRQHHQSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)CC2CC2)C1 ZINC001258469421 807467955 /nfs/dbraw/zinc/46/79/55/807467955.db2.gz BZIOALKAJSMEGA-UKRRQHHQSA-N 2 2 260.381 3.032 20 0 CGADLP COc1cccc2[nH+]c(NCC(C)(C)C[NH+](C)C)ccc21 ZINC001168764747 807507442 /nfs/dbraw/zinc/50/74/42/807507442.db2.gz ZNJCALCRTOKXGF-UHFFFAOYSA-N 2 2 287.407 3.243 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]CCC3CCC3)cc2)CC1 ZINC001168889731 807536217 /nfs/dbraw/zinc/53/62/17/807536217.db2.gz SEHCJXINPOGMCT-UHFFFAOYSA-N 2 2 273.424 3.041 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258685792 807542751 /nfs/dbraw/zinc/54/27/51/807542751.db2.gz QOOZZYHUJUNJFP-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258685792 807542757 /nfs/dbraw/zinc/54/27/57/807542757.db2.gz QOOZZYHUJUNJFP-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP c1c(CCNc2cc[nH+]c(C3CC3)c2)[nH+]c2ccccn12 ZINC001169009180 807551106 /nfs/dbraw/zinc/55/11/06/807551106.db2.gz OGURXKHBRHOKRY-UHFFFAOYSA-N 2 2 278.359 3.261 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258743814 807587681 /nfs/dbraw/zinc/58/76/81/807587681.db2.gz KFQHHTOHTUYQEY-ZDUSSCGKSA-N 2 2 290.794 3.335 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001169146667 807592884 /nfs/dbraw/zinc/59/28/84/807592884.db2.gz QXDJRLDRXSMMLT-UHDSXZAQSA-N 2 2 262.441 3.266 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001169146667 807592887 /nfs/dbraw/zinc/59/28/87/807592887.db2.gz QXDJRLDRXSMMLT-UHDSXZAQSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001169146667 807592891 /nfs/dbraw/zinc/59/28/91/807592891.db2.gz QXDJRLDRXSMMLT-UHDSXZAQSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@H]31)C2 ZINC001169146667 807592895 /nfs/dbraw/zinc/59/28/95/807592895.db2.gz QXDJRLDRXSMMLT-UHDSXZAQSA-N 2 2 262.441 3.266 20 0 CGADLP CC1(C)C[C@@H](Nc2ccn3cc[nH+]c3c2)C[C@@](C)(C[NH3+])C1 ZINC001169149045 807594606 /nfs/dbraw/zinc/59/46/06/807594606.db2.gz XHXXCCXMDAOQSH-RHSMWYFYSA-N 2 2 286.423 3.290 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258766898 807602517 /nfs/dbraw/zinc/60/25/17/807602517.db2.gz NNRYJBFFTKPQJM-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258766898 807602518 /nfs/dbraw/zinc/60/25/18/807602518.db2.gz NNRYJBFFTKPQJM-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258766898 807602522 /nfs/dbraw/zinc/60/25/22/807602522.db2.gz NNRYJBFFTKPQJM-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258766898 807602524 /nfs/dbraw/zinc/60/25/24/807602524.db2.gz NNRYJBFFTKPQJM-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001169264599 807617871 /nfs/dbraw/zinc/61/78/71/807617871.db2.gz JRMZSRXDTIKPTK-AWEZNQCLSA-N 2 2 276.424 3.172 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001169264599 807617873 /nfs/dbraw/zinc/61/78/73/807617873.db2.gz JRMZSRXDTIKPTK-AWEZNQCLSA-N 2 2 276.424 3.172 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258800802 807621390 /nfs/dbraw/zinc/62/13/90/807621390.db2.gz XEDOALUCQRITLC-ULQDDVLXSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258800802 807621394 /nfs/dbraw/zinc/62/13/94/807621394.db2.gz XEDOALUCQRITLC-ULQDDVLXSA-N 2 2 284.488 3.244 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819102 807636142 /nfs/dbraw/zinc/63/61/42/807636142.db2.gz CDHHSFCHWWVXLN-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819102 807636144 /nfs/dbraw/zinc/63/61/44/807636144.db2.gz CDHHSFCHWWVXLN-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819102 807636147 /nfs/dbraw/zinc/63/61/47/807636147.db2.gz CDHHSFCHWWVXLN-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819102 807636149 /nfs/dbraw/zinc/63/61/49/807636149.db2.gz CDHHSFCHWWVXLN-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP CC[N@H+]([C@H](C)Cc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001258893095 807665957 /nfs/dbraw/zinc/66/59/57/807665957.db2.gz YMMPNQOKJVPRDN-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001258893095 807665963 /nfs/dbraw/zinc/66/59/63/807665963.db2.gz YMMPNQOKJVPRDN-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001258899528 807668650 /nfs/dbraw/zinc/66/86/50/807668650.db2.gz AXRUPCPJGYUKPE-ZWKOTPCHSA-N 3 2 297.531 3.207 20 0 CGADLP Cc1cc(C)c2[nH+]c(NCC3C[NH+](C)C3)cc(C)c2c1 ZINC001170253236 807805120 /nfs/dbraw/zinc/80/51/20/807805120.db2.gz JGCTWBJICWKGNI-UHFFFAOYSA-N 2 2 269.392 3.134 20 0 CGADLP CC(C)([NH3+])CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001171194763 808006858 /nfs/dbraw/zinc/00/68/58/808006858.db2.gz DQXOAPPXCWXMPV-UHFFFAOYSA-N 2 2 280.375 3.175 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171561347 808096886 /nfs/dbraw/zinc/09/68/86/808096886.db2.gz XSOSCMHYRVZFNS-SJORKVTESA-N 2 2 284.447 3.069 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171561347 808096889 /nfs/dbraw/zinc/09/68/89/808096889.db2.gz XSOSCMHYRVZFNS-SJORKVTESA-N 2 2 284.447 3.069 20 0 CGADLP CC1(C)C[C@H]([NH+]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171975997 808163602 /nfs/dbraw/zinc/16/36/02/808163602.db2.gz HIHBJDXZLNHVOQ-DLBZAZTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([NH+]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975997 808163609 /nfs/dbraw/zinc/16/36/09/808163609.db2.gz HIHBJDXZLNHVOQ-DLBZAZTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171975997 808163614 /nfs/dbraw/zinc/16/36/14/808163614.db2.gz HIHBJDXZLNHVOQ-DLBZAZTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171975997 808163618 /nfs/dbraw/zinc/16/36/18/808163618.db2.gz HIHBJDXZLNHVOQ-DLBZAZTESA-N 2 2 290.426 3.473 20 0 CGADLP C[N@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131007 808186759 /nfs/dbraw/zinc/18/67/59/808186759.db2.gz SSEWZDNSCSKWCQ-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131007 808186763 /nfs/dbraw/zinc/18/67/63/808186763.db2.gz SSEWZDNSCSKWCQ-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131007 808186766 /nfs/dbraw/zinc/18/67/66/808186766.db2.gz SSEWZDNSCSKWCQ-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131007 808186769 /nfs/dbraw/zinc/18/67/69/808186769.db2.gz SSEWZDNSCSKWCQ-QDMKHBRRSA-N 2 2 294.389 3.412 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172322951 808232053 /nfs/dbraw/zinc/23/20/53/808232053.db2.gz ZJTCSSTXQASOLV-HZPDHXFCSA-N 2 2 270.461 3.046 20 0 CGADLP CC[C@H](C)OCC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172328191 808235616 /nfs/dbraw/zinc/23/56/16/808235616.db2.gz OUDOPNIJYRCNMR-STQMWFEESA-N 2 2 299.484 3.150 20 0 CGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC001172380101 808274012 /nfs/dbraw/zinc/27/40/12/808274012.db2.gz QNUPZOXSPLZFRU-TUVASFSCSA-N 2 2 261.413 3.347 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708918 808413607 /nfs/dbraw/zinc/41/36/07/808413607.db2.gz PLIMYNZMAMDQQZ-INIZCTEOSA-N 2 2 280.843 3.129 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708918 808413610 /nfs/dbraw/zinc/41/36/10/808413610.db2.gz PLIMYNZMAMDQQZ-INIZCTEOSA-N 2 2 280.843 3.129 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)CC2 ZINC001172823994 808446945 /nfs/dbraw/zinc/44/69/45/808446945.db2.gz OJOREXONYYSSDF-LJQANCHMSA-N 2 2 286.463 3.174 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172849052 808461917 /nfs/dbraw/zinc/46/19/17/808461917.db2.gz IYPDIPJBHMCJBF-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172849052 808461919 /nfs/dbraw/zinc/46/19/19/808461919.db2.gz IYPDIPJBHMCJBF-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001173256320 808562432 /nfs/dbraw/zinc/56/24/32/808562432.db2.gz JSUXSCUTNZZYQX-SJORKVTESA-N 2 2 296.499 3.434 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001173256320 808562435 /nfs/dbraw/zinc/56/24/35/808562435.db2.gz JSUXSCUTNZZYQX-SJORKVTESA-N 2 2 296.499 3.434 20 0 CGADLP CCSC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173310004 808605870 /nfs/dbraw/zinc/60/58/70/808605870.db2.gz VQSDSWAIOSEAGB-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP CCSC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173310004 808605874 /nfs/dbraw/zinc/60/58/74/808605874.db2.gz VQSDSWAIOSEAGB-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1cccc2[nH+]ccn21 ZINC001173927696 808766937 /nfs/dbraw/zinc/76/69/37/808766937.db2.gz NZFZENMRGLAGCL-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP Cc1[nH+]cn(C)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382303 808985819 /nfs/dbraw/zinc/98/58/19/808985819.db2.gz JDXKDDPIDSIQHR-UHFFFAOYSA-N 2 2 269.352 3.403 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccnc3Cl)(C1)CCC2 ZINC001277659690 809088393 /nfs/dbraw/zinc/08/83/93/809088393.db2.gz CVNCXYMFYKMPFI-LSDHHAIUSA-N 2 2 297.805 3.029 20 0 CGADLP Cc1cn2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2[nH+]1 ZINC001176749584 809757861 /nfs/dbraw/zinc/75/78/61/809757861.db2.gz HKSJOXGLUODBNE-UHFFFAOYSA-N 2 2 293.374 3.382 20 0 CGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001177311555 809792912 /nfs/dbraw/zinc/79/29/12/809792912.db2.gz CACJAOAXDHYLDP-UHFFFAOYSA-N 2 2 299.418 3.226 20 0 CGADLP Cc1ccc(C)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001177931435 809832721 /nfs/dbraw/zinc/83/27/21/809832721.db2.gz BJFXWRSMWRIFRG-UHFFFAOYSA-N 2 2 269.392 3.290 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001181436225 810052945 /nfs/dbraw/zinc/05/29/45/810052945.db2.gz NKMWQBPDEQZZLC-KGLIPLIRSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001181436225 810052947 /nfs/dbraw/zinc/05/29/47/810052947.db2.gz NKMWQBPDEQZZLC-KGLIPLIRSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919258 810130577 /nfs/dbraw/zinc/13/05/77/810130577.db2.gz YDAQFEPTWCSRMQ-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919258 810130580 /nfs/dbraw/zinc/13/05/80/810130580.db2.gz YDAQFEPTWCSRMQ-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378820 810147631 /nfs/dbraw/zinc/14/76/31/810147631.db2.gz FMXPGABWUFONFM-VNQPRFMTSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378820 810147633 /nfs/dbraw/zinc/14/76/33/810147633.db2.gz FMXPGABWUFONFM-VNQPRFMTSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198767952 811541948 /nfs/dbraw/zinc/54/19/48/811541948.db2.gz FYHUTNGEQKKMBD-CYBMUJFWSA-N 2 2 287.382 3.500 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1F ZINC001198769608 811542448 /nfs/dbraw/zinc/54/24/48/811542448.db2.gz MISNNRJLXXVHGZ-UHFFFAOYSA-N 2 2 287.382 3.247 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@@H]3C2)c1 ZINC001201388669 811823865 /nfs/dbraw/zinc/82/38/65/811823865.db2.gz DJHROOMITKLRCO-RTBURBONSA-N 2 2 299.462 3.026 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(C)[nH+]1 ZINC001203247140 812280095 /nfs/dbraw/zinc/28/00/95/812280095.db2.gz SRADCEPEOYOPHC-ZDUSSCGKSA-N 2 2 279.403 3.385 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC001203249046 812283153 /nfs/dbraw/zinc/28/31/53/812283153.db2.gz YFEBUDGLRRXXLL-ZIAGYGMSSA-N 2 2 261.413 3.293 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC001203249046 812283158 /nfs/dbraw/zinc/28/31/58/812283158.db2.gz YFEBUDGLRRXXLL-ZIAGYGMSSA-N 2 2 261.413 3.293 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001203360141 812322786 /nfs/dbraw/zinc/32/27/86/812322786.db2.gz SLEBAJRFBXSTRQ-OAHLLOKOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001203360141 812322793 /nfs/dbraw/zinc/32/27/93/812322793.db2.gz SLEBAJRFBXSTRQ-OAHLLOKOSA-N 2 2 286.350 3.182 20 0 CGADLP CC[N@H+](Cc1ccc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203735577 812446260 /nfs/dbraw/zinc/44/62/60/812446260.db2.gz DBBKMQZOKYZEMU-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1ccc(C)cc1C)C1CC[NH+](C)CC1 ZINC001203735577 812446262 /nfs/dbraw/zinc/44/62/62/812446262.db2.gz DBBKMQZOKYZEMU-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001203918335 812490471 /nfs/dbraw/zinc/49/04/71/812490471.db2.gz SRSNKWWXXFOLRE-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001203918335 812490475 /nfs/dbraw/zinc/49/04/75/812490475.db2.gz SRSNKWWXXFOLRE-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001204292546 812601553 /nfs/dbraw/zinc/60/15/53/812601553.db2.gz GIIKVRRJSMEPEN-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001204292546 812601560 /nfs/dbraw/zinc/60/15/60/812601560.db2.gz GIIKVRRJSMEPEN-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001204292546 812601565 /nfs/dbraw/zinc/60/15/65/812601565.db2.gz GIIKVRRJSMEPEN-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001204292546 812601570 /nfs/dbraw/zinc/60/15/70/812601570.db2.gz GIIKVRRJSMEPEN-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204770344 812730876 /nfs/dbraw/zinc/73/08/76/812730876.db2.gz DSMPLYQOPTUFBT-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204770344 812730883 /nfs/dbraw/zinc/73/08/83/812730883.db2.gz DSMPLYQOPTUFBT-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204783069 812735475 /nfs/dbraw/zinc/73/54/75/812735475.db2.gz NYAIMNAARUIZRG-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204783069 812735476 /nfs/dbraw/zinc/73/54/76/812735476.db2.gz NYAIMNAARUIZRG-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204792161 812737183 /nfs/dbraw/zinc/73/71/83/812737183.db2.gz UMQJTSGYJKGCKX-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204792161 812737188 /nfs/dbraw/zinc/73/71/88/812737188.db2.gz UMQJTSGYJKGCKX-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204878039 812761834 /nfs/dbraw/zinc/76/18/34/812761834.db2.gz UUUBYYFALQEVOX-LBPRGKRZSA-N 2 2 287.234 3.349 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C1 ZINC001204878039 812761835 /nfs/dbraw/zinc/76/18/35/812761835.db2.gz UUUBYYFALQEVOX-LBPRGKRZSA-N 2 2 287.234 3.349 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001204940268 812788382 /nfs/dbraw/zinc/78/83/82/812788382.db2.gz XAVBELUKYVQTQJ-CQSZACIVSA-N 2 2 286.341 3.061 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001204940268 812788389 /nfs/dbraw/zinc/78/83/89/812788389.db2.gz XAVBELUKYVQTQJ-CQSZACIVSA-N 2 2 286.341 3.061 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204944795 812790772 /nfs/dbraw/zinc/79/07/72/812790772.db2.gz CFMLHXGOKORNIA-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204944795 812790775 /nfs/dbraw/zinc/79/07/75/812790775.db2.gz CFMLHXGOKORNIA-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)ccc2Cl)C1 ZINC001205015722 812826337 /nfs/dbraw/zinc/82/63/37/812826337.db2.gz DLGPYAMUQUPSSJ-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2Cl)C1 ZINC001205015722 812826342 /nfs/dbraw/zinc/82/63/42/812826342.db2.gz DLGPYAMUQUPSSJ-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205110680 812871930 /nfs/dbraw/zinc/87/19/30/812871930.db2.gz YBYNVEXHDUVDLR-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205110680 812871939 /nfs/dbraw/zinc/87/19/39/812871939.db2.gz YBYNVEXHDUVDLR-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)n1 ZINC001205319063 812952393 /nfs/dbraw/zinc/95/23/93/812952393.db2.gz YDMROYAEVVHZDQ-GXTWGEPZSA-N 2 2 295.858 3.275 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)n1 ZINC001205319063 812952396 /nfs/dbraw/zinc/95/23/96/812952396.db2.gz YDMROYAEVVHZDQ-GXTWGEPZSA-N 2 2 295.858 3.275 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205325135 812954705 /nfs/dbraw/zinc/95/47/05/812954705.db2.gz JYRDWEVTUHIUHA-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205325135 812954710 /nfs/dbraw/zinc/95/47/10/812954710.db2.gz JYRDWEVTUHIUHA-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667516 813048545 /nfs/dbraw/zinc/04/85/45/813048545.db2.gz MEDPDZZQPAGCDZ-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667516 813048553 /nfs/dbraw/zinc/04/85/53/813048553.db2.gz MEDPDZZQPAGCDZ-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP CCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1CC ZINC001205814843 813091410 /nfs/dbraw/zinc/09/14/10/813091410.db2.gz DPJJMODYXOSXHM-WMLDXEAASA-N 2 2 290.451 3.207 20 0 CGADLP CCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1CC ZINC001205814843 813091415 /nfs/dbraw/zinc/09/14/15/813091415.db2.gz DPJJMODYXOSXHM-WMLDXEAASA-N 2 2 290.451 3.207 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205889261 813120501 /nfs/dbraw/zinc/12/05/01/813120501.db2.gz WHOUUVXHPSFHPW-DYVFJYSZSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205889261 813120506 /nfs/dbraw/zinc/12/05/06/813120506.db2.gz WHOUUVXHPSFHPW-DYVFJYSZSA-N 2 2 290.451 3.260 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001205902707 813124129 /nfs/dbraw/zinc/12/41/29/813124129.db2.gz LAJVQESFZPVIIE-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001205902707 813124132 /nfs/dbraw/zinc/12/41/32/813124132.db2.gz LAJVQESFZPVIIE-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205932327 813138706 /nfs/dbraw/zinc/13/87/06/813138706.db2.gz QNVIYBWBDRGVRI-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205932327 813138709 /nfs/dbraw/zinc/13/87/09/813138709.db2.gz QNVIYBWBDRGVRI-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205933132 813140683 /nfs/dbraw/zinc/14/06/83/813140683.db2.gz YRVKTNYWMXCHGV-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205933132 813140686 /nfs/dbraw/zinc/14/06/86/813140686.db2.gz YRVKTNYWMXCHGV-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206213409 813242916 /nfs/dbraw/zinc/24/29/16/813242916.db2.gz VCKRQYWPSSBFMR-UONOGXRCSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206213409 813242921 /nfs/dbraw/zinc/24/29/21/813242921.db2.gz VCKRQYWPSSBFMR-UONOGXRCSA-N 2 2 288.769 3.049 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001206335962 813293713 /nfs/dbraw/zinc/29/37/13/813293713.db2.gz IOFRLUVVSQEHIM-HNNXBMFYSA-N 2 2 284.806 3.035 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001206335962 813293716 /nfs/dbraw/zinc/29/37/16/813293716.db2.gz IOFRLUVVSQEHIM-HNNXBMFYSA-N 2 2 284.806 3.035 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001206564161 813355415 /nfs/dbraw/zinc/35/54/15/813355415.db2.gz LUPIKGRKBCFANY-ZDUSSCGKSA-N 2 2 290.329 3.249 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001206564161 813355420 /nfs/dbraw/zinc/35/54/20/813355420.db2.gz LUPIKGRKBCFANY-ZDUSSCGKSA-N 2 2 290.329 3.249 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)nc1C ZINC001206582915 813363065 /nfs/dbraw/zinc/36/30/65/813363065.db2.gz QAKDUJYQUWZMOA-MRXNPFEDSA-N 2 2 295.858 3.303 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)nc1C ZINC001206582915 813363073 /nfs/dbraw/zinc/36/30/73/813363073.db2.gz QAKDUJYQUWZMOA-MRXNPFEDSA-N 2 2 295.858 3.303 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001206660358 813392605 /nfs/dbraw/zinc/39/26/05/813392605.db2.gz BHOZJBDXDALCFW-CABCVRRESA-N 2 2 272.502 3.228 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001206714075 813405764 /nfs/dbraw/zinc/40/57/64/813405764.db2.gz APQVCMYLYDWQLY-UHFFFAOYSA-N 2 2 296.296 3.035 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207554802 813593638 /nfs/dbraw/zinc/59/36/38/813593638.db2.gz MSQREBONWPGJHS-SFHVURJKSA-N 2 2 296.414 3.394 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207554802 813593644 /nfs/dbraw/zinc/59/36/44/813593644.db2.gz MSQREBONWPGJHS-SFHVURJKSA-N 2 2 296.414 3.394 20 0 CGADLP Cc1cccc(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207554860 813594062 /nfs/dbraw/zinc/59/40/62/813594062.db2.gz PYUZVVXLGYRGFJ-UHFFFAOYSA-N 2 2 274.452 3.342 20 0 CGADLP Cc1cccc(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207554860 813594065 /nfs/dbraw/zinc/59/40/65/813594065.db2.gz PYUZVVXLGYRGFJ-UHFFFAOYSA-N 2 2 274.452 3.342 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001207603377 813607782 /nfs/dbraw/zinc/60/77/82/813607782.db2.gz IKRJKWGEWIWOGK-PBHICJAKSA-N 2 2 260.425 3.035 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001207603377 813607787 /nfs/dbraw/zinc/60/77/87/813607787.db2.gz IKRJKWGEWIWOGK-PBHICJAKSA-N 2 2 260.425 3.035 20 0 CGADLP CC[N@H+](CC[C@@H](C)CCCC(C)(C)O)C1CC[NH+](C)CC1 ZINC001207671093 813631572 /nfs/dbraw/zinc/63/15/72/813631572.db2.gz RREKMHATFXFSMW-INIZCTEOSA-N 2 2 298.515 3.370 20 0 CGADLP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C1CC[NH+](C)CC1 ZINC001207671093 813631576 /nfs/dbraw/zinc/63/15/76/813631576.db2.gz RREKMHATFXFSMW-INIZCTEOSA-N 2 2 298.515 3.370 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([N@H+](C)C3CC3)CC2)o1 ZINC001207949014 813677404 /nfs/dbraw/zinc/67/74/04/813677404.db2.gz DPWQDLABRQETFE-UHFFFAOYSA-N 2 2 276.424 3.079 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([N@@H+](C)C3CC3)CC2)o1 ZINC001207949014 813677413 /nfs/dbraw/zinc/67/74/13/813677413.db2.gz DPWQDLABRQETFE-UHFFFAOYSA-N 2 2 276.424 3.079 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208169329 813722421 /nfs/dbraw/zinc/72/24/21/813722421.db2.gz OWXGKYFBNVZAIT-CVEARBPZSA-N 2 2 261.413 3.197 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(C)=C[C@H]1C ZINC001208169329 813722428 /nfs/dbraw/zinc/72/24/28/813722428.db2.gz OWXGKYFBNVZAIT-CVEARBPZSA-N 2 2 261.413 3.197 20 0 CGADLP C[C@H](CC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C)CC(C)(C)C ZINC001208665278 813789457 /nfs/dbraw/zinc/78/94/57/813789457.db2.gz PWYJKSUCSXFWFA-PMPSAXMXSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C)CC(C)(C)C ZINC001208665278 813789462 /nfs/dbraw/zinc/78/94/62/813789462.db2.gz PWYJKSUCSXFWFA-PMPSAXMXSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C)CC(C)(C)C ZINC001208665278 813789465 /nfs/dbraw/zinc/78/94/65/813789465.db2.gz PWYJKSUCSXFWFA-PMPSAXMXSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C)CC(C)(C)C ZINC001208665278 813789470 /nfs/dbraw/zinc/78/94/70/813789470.db2.gz PWYJKSUCSXFWFA-PMPSAXMXSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425217 814026542 /nfs/dbraw/zinc/02/65/42/814026542.db2.gz DMIMDSXMRYOJFE-HOCLYGCPSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425217 814026550 /nfs/dbraw/zinc/02/65/50/814026550.db2.gz DMIMDSXMRYOJFE-HOCLYGCPSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425212 814026859 /nfs/dbraw/zinc/02/68/59/814026859.db2.gz DMIMDSXMRYOJFE-GDBMZVCRSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425212 814026868 /nfs/dbraw/zinc/02/68/68/814026868.db2.gz DMIMDSXMRYOJFE-GDBMZVCRSA-N 2 2 290.426 3.378 20 0 CGADLP COc1cc(C)[nH+]cc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242691632 823101296 /nfs/dbraw/zinc/10/12/96/823101296.db2.gz FEDHYDYHWVOALN-OAHLLOKOSA-N 2 2 272.392 3.430 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001209737558 814125989 /nfs/dbraw/zinc/12/59/89/814125989.db2.gz ONOXOXRZVQPMGQ-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001209737558 814125994 /nfs/dbraw/zinc/12/59/94/814125994.db2.gz ONOXOXRZVQPMGQ-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2cc(OC)ccc2o1 ZINC001209774841 814138277 /nfs/dbraw/zinc/13/82/77/814138277.db2.gz UJRUHXBNWAHCPO-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2cc(OC)ccc2o1 ZINC001209774841 814138283 /nfs/dbraw/zinc/13/82/83/814138283.db2.gz UJRUHXBNWAHCPO-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc(C)c1OC(C)C ZINC001210518954 814504859 /nfs/dbraw/zinc/50/48/59/814504859.db2.gz KNVIEWLZHVBPOE-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc(C)c1OC(C)C ZINC001210518954 814504863 /nfs/dbraw/zinc/50/48/63/814504863.db2.gz KNVIEWLZHVBPOE-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001211129134 814755342 /nfs/dbraw/zinc/75/53/42/814755342.db2.gz MOJGYSOBEJDOHX-UHFFFAOYSA-N 2 2 292.386 3.394 20 0 CGADLP CNc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc[nH+]1 ZINC001216331286 815786451 /nfs/dbraw/zinc/78/64/51/815786451.db2.gz OSJRBMQEXJQHFP-UHFFFAOYSA-N 2 2 283.379 3.252 20 0 CGADLP Cc1cnc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222160828 816366012 /nfs/dbraw/zinc/36/60/12/816366012.db2.gz IZPSBAIMZYIXNH-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1cnc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)s1 ZINC001222160828 816366021 /nfs/dbraw/zinc/36/60/21/816366021.db2.gz IZPSBAIMZYIXNH-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222198073 816373567 /nfs/dbraw/zinc/37/35/67/816373567.db2.gz UHKALZIVUQKFFU-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222198073 816373576 /nfs/dbraw/zinc/37/35/76/816373576.db2.gz UHKALZIVUQKFFU-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222253783 816387937 /nfs/dbraw/zinc/38/79/37/816387937.db2.gz RZANAHLSEHDBSO-KRWDZBQOSA-N 2 2 276.399 3.161 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222253783 816387944 /nfs/dbraw/zinc/38/79/44/816387944.db2.gz RZANAHLSEHDBSO-KRWDZBQOSA-N 2 2 276.399 3.161 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c2cccccc1-2 ZINC001222287368 816396997 /nfs/dbraw/zinc/39/69/97/816396997.db2.gz IBLZSXIVVHXHDX-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c2cccccc1-2 ZINC001222287368 816397006 /nfs/dbraw/zinc/39/70/06/816397006.db2.gz IBLZSXIVVHXHDX-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP c1ccc2c(c1)CCCC21CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC001222615515 816479016 /nfs/dbraw/zinc/47/90/16/816479016.db2.gz QTZAPQLVZUKDKZ-KRWDZBQOSA-N 2 2 284.447 3.109 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc(C)cn3cc[nH+]c23)c1 ZINC001242997660 823205094 /nfs/dbraw/zinc/20/50/94/823205094.db2.gz JROFLSOMCNSJIN-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP CC[NH+](CC)Cc1ccc(C)c(-c2c[nH+]cn2C)c1 ZINC001243071759 823235780 /nfs/dbraw/zinc/23/57/80/823235780.db2.gz FMLFZWUNVCLUSI-UHFFFAOYSA-N 2 2 257.381 3.237 20 0 CGADLP Cc1cccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1Cl ZINC001228555262 817936323 /nfs/dbraw/zinc/93/63/23/817936323.db2.gz DQKODJPEXVGNCK-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP Cc1cnsc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233320839 818577175 /nfs/dbraw/zinc/57/71/75/818577175.db2.gz PJJOTYFHAOFDGX-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1cnsc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001233320839 818577182 /nfs/dbraw/zinc/57/71/82/818577182.db2.gz PJJOTYFHAOFDGX-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032574 818761762 /nfs/dbraw/zinc/76/17/62/818761762.db2.gz KDJNUSWGDSQVMO-AWEZNQCLSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234032574 818761768 /nfs/dbraw/zinc/76/17/68/818761768.db2.gz KDJNUSWGDSQVMO-AWEZNQCLSA-N 2 2 285.391 3.113 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235004558 818976942 /nfs/dbraw/zinc/97/69/42/818976942.db2.gz BLWCNBOKOCFVFQ-QFBILLFUSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235004558 818976945 /nfs/dbraw/zinc/97/69/45/818976945.db2.gz BLWCNBOKOCFVFQ-QFBILLFUSA-N 2 2 278.399 3.147 20 0 CGADLP Cc1cc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc(C)c1OC(C)C ZINC001235008105 818978501 /nfs/dbraw/zinc/97/85/01/818978501.db2.gz QMZMXHOLWTZVHX-UHFFFAOYSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@H+]2CC3CC2(C[NH3+])C3)cc(C)c1OC(C)C ZINC001235008105 818978508 /nfs/dbraw/zinc/97/85/08/818978508.db2.gz QMZMXHOLWTZVHX-UHFFFAOYSA-N 2 2 288.435 3.014 20 0 CGADLP c1ccc(Oc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235024840 818980836 /nfs/dbraw/zinc/98/08/36/818980836.db2.gz PZZSSFQBTQINLX-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP c1ccc(Oc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235024840 818980842 /nfs/dbraw/zinc/98/08/42/818980842.db2.gz PZZSSFQBTQINLX-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC12CC[NH2+]CC2 ZINC001235101587 819000986 /nfs/dbraw/zinc/00/09/86/819000986.db2.gz DZOWQEDXLHNPPT-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC12CC[NH2+]CC2 ZINC001235101587 819000991 /nfs/dbraw/zinc/00/09/91/819000991.db2.gz DZOWQEDXLHNPPT-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Clc1ccc(CC[NH+]2CCC3(CC[NH2+]3)CC2)c(Cl)c1 ZINC001235106854 819004427 /nfs/dbraw/zinc/00/44/27/819004427.db2.gz RYRKBKJNOGRWNG-UHFFFAOYSA-N 2 2 299.245 3.364 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235111264 819007777 /nfs/dbraw/zinc/00/77/77/819007777.db2.gz QRYYNBKZSWJOOM-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235111264 819007780 /nfs/dbraw/zinc/00/77/80/819007780.db2.gz QRYYNBKZSWJOOM-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113482 819009455 /nfs/dbraw/zinc/00/94/55/819009455.db2.gz CMXMPDCEUFVQOA-ZWKOTPCHSA-N 2 2 294.483 3.213 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113482 819009461 /nfs/dbraw/zinc/00/94/61/819009461.db2.gz CMXMPDCEUFVQOA-ZWKOTPCHSA-N 2 2 294.483 3.213 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235169545 819022504 /nfs/dbraw/zinc/02/25/04/819022504.db2.gz BQFIQZIPWFOEOM-QGZVFWFLSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)o1 ZINC001235169545 819022510 /nfs/dbraw/zinc/02/25/10/819022510.db2.gz BQFIQZIPWFOEOM-QGZVFWFLSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235184060 819027532 /nfs/dbraw/zinc/02/75/32/819027532.db2.gz GGJSUTQATYTALI-KGLIPLIRSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235184060 819027538 /nfs/dbraw/zinc/02/75/38/819027538.db2.gz GGJSUTQATYTALI-KGLIPLIRSA-N 2 2 298.352 3.055 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234987 819043395 /nfs/dbraw/zinc/04/33/95/819043395.db2.gz BPOCCVKMEUIHHD-SBZGPEHISA-N 2 2 274.452 3.029 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234987 819043398 /nfs/dbraw/zinc/04/33/98/819043398.db2.gz BPOCCVKMEUIHHD-SBZGPEHISA-N 2 2 274.452 3.029 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001235363485 819079519 /nfs/dbraw/zinc/07/95/19/819079519.db2.gz QKXATDPXAUVLKY-HNNXBMFYSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001235363485 819079523 /nfs/dbraw/zinc/07/95/23/819079523.db2.gz QKXATDPXAUVLKY-HNNXBMFYSA-N 2 2 291.398 3.368 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001235829882 819178243 /nfs/dbraw/zinc/17/82/43/819178243.db2.gz XWLYWIRPRAIQQP-CRAIPNDOSA-N 2 2 288.479 3.456 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001235829882 819178246 /nfs/dbraw/zinc/17/82/46/819178246.db2.gz XWLYWIRPRAIQQP-CRAIPNDOSA-N 2 2 288.479 3.456 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235935696 819232116 /nfs/dbraw/zinc/23/21/16/819232116.db2.gz DYTSHVHUPBEETO-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235935696 819232121 /nfs/dbraw/zinc/23/21/21/819232121.db2.gz DYTSHVHUPBEETO-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP CC[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC001235960387 819249360 /nfs/dbraw/zinc/24/93/60/819249360.db2.gz KSNQLMFRHIBKAX-HNNXBMFYSA-N 2 2 264.388 3.180 20 0 CGADLP CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC001235960387 819249367 /nfs/dbraw/zinc/24/93/67/819249367.db2.gz KSNQLMFRHIBKAX-HNNXBMFYSA-N 2 2 264.388 3.180 20 0 CGADLP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccc(Cl)nc1 ZINC001235962875 819251021 /nfs/dbraw/zinc/25/10/21/819251021.db2.gz POZGWYXWBUMGLL-UHFFFAOYSA-N 2 2 295.858 3.479 20 0 CGADLP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccc(Cl)nc1 ZINC001235962875 819251027 /nfs/dbraw/zinc/25/10/27/819251027.db2.gz POZGWYXWBUMGLL-UHFFFAOYSA-N 2 2 295.858 3.479 20 0 CGADLP c1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]2)C2CCCCC2)nc1 ZINC001235964074 819252595 /nfs/dbraw/zinc/25/25/95/819252595.db2.gz YOVCHGAKTXUNND-QGZVFWFLSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc(C[N@H+](C[C@H]2CCCC[NH2+]2)C2CCCCC2)nc1 ZINC001235964074 819252599 /nfs/dbraw/zinc/25/25/99/819252599.db2.gz YOVCHGAKTXUNND-QGZVFWFLSA-N 2 2 287.451 3.358 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1C(C)C ZINC001235984946 819259375 /nfs/dbraw/zinc/25/93/75/819259375.db2.gz ANHJUOVNJLOJCY-QAPCUYQASA-N 2 2 288.435 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1C(C)C ZINC001235984946 819259379 /nfs/dbraw/zinc/25/93/79/819259379.db2.gz ANHJUOVNJLOJCY-QAPCUYQASA-N 2 2 288.435 3.050 20 0 CGADLP CCCCOc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005093 819270276 /nfs/dbraw/zinc/27/02/76/819270276.db2.gz ITVAMDDGGVXYTR-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005093 819270278 /nfs/dbraw/zinc/27/02/78/819270278.db2.gz ITVAMDDGGVXYTR-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052550 819288294 /nfs/dbraw/zinc/28/82/94/819288294.db2.gz SLZANUYARLKTNX-QAPCUYQASA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052550 819288300 /nfs/dbraw/zinc/28/83/00/819288300.db2.gz SLZANUYARLKTNX-QAPCUYQASA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236052172 819288594 /nfs/dbraw/zinc/28/85/94/819288594.db2.gz OTVHXOJFCQMNBU-CJNGLKHVSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236052172 819288597 /nfs/dbraw/zinc/28/85/97/819288597.db2.gz OTVHXOJFCQMNBU-CJNGLKHVSA-N 2 2 290.451 3.260 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CCC[NH2+]1 ZINC001236118150 819327606 /nfs/dbraw/zinc/32/76/06/819327606.db2.gz GYUOIUWQUASUAM-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CCC[NH2+]1 ZINC001236118150 819327609 /nfs/dbraw/zinc/32/76/09/819327609.db2.gz GYUOIUWQUASUAM-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001236144486 819344942 /nfs/dbraw/zinc/34/49/42/819344942.db2.gz UREYGQMTAYJZKP-UHFFFAOYSA-N 2 2 262.441 3.270 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001236144486 819344949 /nfs/dbraw/zinc/34/49/49/819344949.db2.gz UREYGQMTAYJZKP-UHFFFAOYSA-N 2 2 262.441 3.270 20 0 CGADLP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@]1(C)CCC[NH2+]C1 ZINC001236204700 819367871 /nfs/dbraw/zinc/36/78/71/819367871.db2.gz AGSFAIDDNYCBFV-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@]1(C)CCC[NH2+]C1 ZINC001236204700 819367874 /nfs/dbraw/zinc/36/78/74/819367874.db2.gz AGSFAIDDNYCBFV-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(C)c1F ZINC001236207157 819368629 /nfs/dbraw/zinc/36/86/29/819368629.db2.gz MQOVIRPMBSTMIL-INIZCTEOSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(C)c1F ZINC001236207157 819368635 /nfs/dbraw/zinc/36/86/35/819368635.db2.gz MQOVIRPMBSTMIL-INIZCTEOSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208179 819369775 /nfs/dbraw/zinc/36/97/75/819369775.db2.gz SSAFFUHIULDAEM-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208179 819369779 /nfs/dbraw/zinc/36/97/79/819369779.db2.gz SSAFFUHIULDAEM-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[N@H+](Cc1cc2ccccc2s1)[C@]1(C)CCC[NH2+]C1 ZINC001236209774 819372698 /nfs/dbraw/zinc/37/26/98/819372698.db2.gz ZSBZASGWETVTOC-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2s1)[C@]1(C)CCC[NH2+]C1 ZINC001236209774 819372704 /nfs/dbraw/zinc/37/27/04/819372704.db2.gz ZSBZASGWETVTOC-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236236359 819396136 /nfs/dbraw/zinc/39/61/36/819396136.db2.gz JUHYYYVTNVCJEX-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236236359 819396144 /nfs/dbraw/zinc/39/61/44/819396144.db2.gz JUHYYYVTNVCJEX-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001236238899 819398824 /nfs/dbraw/zinc/39/88/24/819398824.db2.gz DCGPEHCJRSXVBM-LJQANCHMSA-N 2 2 299.462 3.003 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001236238899 819398833 /nfs/dbraw/zinc/39/88/33/819398833.db2.gz DCGPEHCJRSXVBM-LJQANCHMSA-N 2 2 299.462 3.003 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236244957 819403252 /nfs/dbraw/zinc/40/32/52/819403252.db2.gz HPBNGZHLMXHPHB-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236244957 819403254 /nfs/dbraw/zinc/40/32/54/819403254.db2.gz HPBNGZHLMXHPHB-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP CCC[N@H+](Cc1ccc(OC)c(C(C)C)c1)[C@H]1CC[NH2+]C1 ZINC001236323798 819425690 /nfs/dbraw/zinc/42/56/90/819425690.db2.gz MNRYMRAWNJBKIL-INIZCTEOSA-N 2 2 290.451 3.393 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)[C@H]1CC[NH2+]C1 ZINC001236323798 819425693 /nfs/dbraw/zinc/42/56/93/819425693.db2.gz MNRYMRAWNJBKIL-INIZCTEOSA-N 2 2 290.451 3.393 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236323347 819425909 /nfs/dbraw/zinc/42/59/09/819425909.db2.gz FBYSXJPVXDQFNC-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236323347 819425912 /nfs/dbraw/zinc/42/59/12/819425912.db2.gz FBYSXJPVXDQFNC-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP Fc1cccc(C[N@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236396675 819449747 /nfs/dbraw/zinc/44/97/47/819449747.db2.gz ZEZJSBIIIUOARY-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1cccc(C[N@@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236396675 819449751 /nfs/dbraw/zinc/44/97/51/819449751.db2.gz ZEZJSBIIIUOARY-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236410716 819458176 /nfs/dbraw/zinc/45/81/76/819458176.db2.gz JWZDTEWPDBPTFB-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1cc(C)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236410716 819458180 /nfs/dbraw/zinc/45/81/80/819458180.db2.gz JWZDTEWPDBPTFB-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421369 819467824 /nfs/dbraw/zinc/46/78/24/819467824.db2.gz QHHFWVSNURYUIZ-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421369 819467827 /nfs/dbraw/zinc/46/78/27/819467827.db2.gz QHHFWVSNURYUIZ-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP CC(C)[N@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236470894 819490951 /nfs/dbraw/zinc/49/09/51/819490951.db2.gz FYQBOBOWJNDNQS-MRXNPFEDSA-N 2 2 289.398 3.269 20 0 CGADLP CC(C)[N@@H+](Cc1cc(F)cc2cc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC001236470894 819490954 /nfs/dbraw/zinc/49/09/54/819490954.db2.gz FYQBOBOWJNDNQS-MRXNPFEDSA-N 2 2 289.398 3.269 20 0 CGADLP CCC[C@H](C)C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646641 819560358 /nfs/dbraw/zinc/56/03/58/819560358.db2.gz HCTDZGDQTQAJFZ-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H](C)C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646641 819560363 /nfs/dbraw/zinc/56/03/63/819560363.db2.gz HCTDZGDQTQAJFZ-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CC1(C)C[C@H](C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649383 819562081 /nfs/dbraw/zinc/56/20/81/819562081.db2.gz XOZSLEOSIULWDH-NVXWUHKLSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649383 819562086 /nfs/dbraw/zinc/56/20/86/819562086.db2.gz XOZSLEOSIULWDH-NVXWUHKLSA-N 2 2 294.483 3.188 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001243477137 823415859 /nfs/dbraw/zinc/41/58/59/823415859.db2.gz JSNGLUSJOOQROO-UHFFFAOYSA-N 2 2 285.416 3.175 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2nc(Cl)ccc2c1 ZINC001236885164 819630040 /nfs/dbraw/zinc/63/00/40/819630040.db2.gz WPDGCUWSDOGJAW-ZDUSSCGKSA-N 2 2 277.799 3.057 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2nc(Cl)ccc2c1 ZINC001236885164 819630043 /nfs/dbraw/zinc/63/00/43/819630043.db2.gz WPDGCUWSDOGJAW-ZDUSSCGKSA-N 2 2 277.799 3.057 20 0 CGADLP CCCCCCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885674 819630834 /nfs/dbraw/zinc/63/08/34/819630834.db2.gz MSUQJKBWQRAELO-HNNXBMFYSA-N 2 2 278.440 3.425 20 0 CGADLP CCCCCCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885674 819630838 /nfs/dbraw/zinc/63/08/38/819630838.db2.gz MSUQJKBWQRAELO-HNNXBMFYSA-N 2 2 278.440 3.425 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236908419 819636384 /nfs/dbraw/zinc/63/63/84/819636384.db2.gz IOIDIZPYLLJJKU-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236908419 819636387 /nfs/dbraw/zinc/63/63/87/819636387.db2.gz IOIDIZPYLLJJKU-ZDUSSCGKSA-N 2 2 272.367 3.272 20 0 CGADLP [NH3+]CCCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001237040916 819648952 /nfs/dbraw/zinc/64/89/52/819648952.db2.gz CNRFANNZHBOXGH-INIZCTEOSA-N 2 2 296.405 3.315 20 0 CGADLP [NH3+]CCCCC[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001237040916 819648953 /nfs/dbraw/zinc/64/89/53/819648953.db2.gz CNRFANNZHBOXGH-INIZCTEOSA-N 2 2 296.405 3.315 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237080180 819662058 /nfs/dbraw/zinc/66/20/58/819662058.db2.gz DLZWHODAFHYLEG-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237080180 819662061 /nfs/dbraw/zinc/66/20/61/819662061.db2.gz DLZWHODAFHYLEG-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)s1 ZINC001237142615 819676103 /nfs/dbraw/zinc/67/61/03/819676103.db2.gz ANJDCUCPUSVXJN-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)s1 ZINC001237142615 819676106 /nfs/dbraw/zinc/67/61/06/819676106.db2.gz ANJDCUCPUSVXJN-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1c(F)cccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237144721 819678060 /nfs/dbraw/zinc/67/80/60/819678060.db2.gz LILDYHSUIRGMSS-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1c(F)cccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237144721 819678062 /nfs/dbraw/zinc/67/80/62/819678062.db2.gz LILDYHSUIRGMSS-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP c1cnc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001237153030 819681982 /nfs/dbraw/zinc/68/19/82/819681982.db2.gz BGXFZQIVUGLFMX-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001237153030 819681986 /nfs/dbraw/zinc/68/19/86/819681986.db2.gz BGXFZQIVUGLFMX-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001237204047 819697402 /nfs/dbraw/zinc/69/74/02/819697402.db2.gz PSWCLEVBPJFKHN-DYVFJYSZSA-N 2 2 278.399 3.179 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001237204047 819697405 /nfs/dbraw/zinc/69/74/05/819697405.db2.gz PSWCLEVBPJFKHN-DYVFJYSZSA-N 2 2 278.399 3.179 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237384064 819739953 /nfs/dbraw/zinc/73/99/53/819739953.db2.gz UFCJDZCBFDGDPM-PBHICJAKSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237384064 819739958 /nfs/dbraw/zinc/73/99/58/819739958.db2.gz UFCJDZCBFDGDPM-PBHICJAKSA-N 2 2 283.419 3.050 20 0 CGADLP Fc1ccc2occ(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237402334 819744951 /nfs/dbraw/zinc/74/49/51/819744951.db2.gz GWDUSUOVYQOOTK-LRDDRELGSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occ(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237402334 819744956 /nfs/dbraw/zinc/74/49/56/819744956.db2.gz GWDUSUOVYQOOTK-LRDDRELGSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occ(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237402338 819745682 /nfs/dbraw/zinc/74/56/82/819745682.db2.gz GWDUSUOVYQOOTK-WBMJQRKESA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occ(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237402338 819745684 /nfs/dbraw/zinc/74/56/84/819745684.db2.gz GWDUSUOVYQOOTK-WBMJQRKESA-N 2 2 288.366 3.146 20 0 CGADLP CCc1cc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)ccc1Cl ZINC001237742309 819833059 /nfs/dbraw/zinc/83/30/59/819833059.db2.gz RROKYLDIHGVNOM-IYBDPMFKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)ccc1Cl ZINC001237742309 819833066 /nfs/dbraw/zinc/83/30/66/819833066.db2.gz RROKYLDIHGVNOM-IYBDPMFKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)ccc1Cl ZINC001237742309 819833071 /nfs/dbraw/zinc/83/30/71/819833071.db2.gz RROKYLDIHGVNOM-IYBDPMFKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)ccc1Cl ZINC001237742309 819833077 /nfs/dbraw/zinc/83/30/77/819833077.db2.gz RROKYLDIHGVNOM-IYBDPMFKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1ncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001237830585 819855786 /nfs/dbraw/zinc/85/57/86/819855786.db2.gz QJRXREBGMPYQFX-UHFFFAOYSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001237830585 819855800 /nfs/dbraw/zinc/85/58/00/819855800.db2.gz QJRXREBGMPYQFX-UHFFFAOYSA-N 2 2 281.469 3.010 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001238120592 819937675 /nfs/dbraw/zinc/93/76/75/819937675.db2.gz YMBFABHUOSLPFK-QGZVFWFLSA-N 2 2 263.344 3.281 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001238120592 819937681 /nfs/dbraw/zinc/93/76/81/819937681.db2.gz YMBFABHUOSLPFK-QGZVFWFLSA-N 2 2 263.344 3.281 20 0 CGADLP CC(C)n1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239078399 820214501 /nfs/dbraw/zinc/21/45/01/820214501.db2.gz NLYCPFQGAVARHD-SFHVURJKSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239078399 820214506 /nfs/dbraw/zinc/21/45/06/820214506.db2.gz NLYCPFQGAVARHD-SFHVURJKSA-N 2 2 283.419 3.269 20 0 CGADLP Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239503404 820352177 /nfs/dbraw/zinc/35/21/77/820352177.db2.gz ZBNKXCONWJQTLQ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239503404 820352187 /nfs/dbraw/zinc/35/21/87/820352187.db2.gz ZBNKXCONWJQTLQ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP CCOc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239560670 820412529 /nfs/dbraw/zinc/41/25/29/820412529.db2.gz LTLXTDBNPILVTL-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239560670 820412533 /nfs/dbraw/zinc/41/25/33/820412533.db2.gz LTLXTDBNPILVTL-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc(F)cc(F)c2)C1 ZINC001239658062 820494723 /nfs/dbraw/zinc/49/47/23/820494723.db2.gz ZVSVYSIAIUBDTJ-INIZCTEOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc(F)cc(F)c2)C1 ZINC001239658062 820494728 /nfs/dbraw/zinc/49/47/28/820494728.db2.gz ZVSVYSIAIUBDTJ-INIZCTEOSA-N 2 2 288.341 3.165 20 0 CGADLP COc1ccc(-c2ccn3cc[nH+]c3c2)cc1C[NH+](C)C ZINC001240511322 821107179 /nfs/dbraw/zinc/10/71/79/821107179.db2.gz DQUXGOAYOZCGCE-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP Nc1cc[nH+]c2cc(-c3ccn4cc[nH+]c4c3)ccc12 ZINC001240512745 821108113 /nfs/dbraw/zinc/10/81/13/821108113.db2.gz ZCYZAPXLXUVMNB-UHFFFAOYSA-N 2 2 260.300 3.132 20 0 CGADLP CCc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241548973 821939565 /nfs/dbraw/zinc/93/95/65/821939565.db2.gz CEOJHFYTJDVXOI-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241548973 821939568 /nfs/dbraw/zinc/93/95/68/821939568.db2.gz CEOJHFYTJDVXOI-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CC(C)(C)/C=C/c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241564079 821951001 /nfs/dbraw/zinc/95/10/01/821951001.db2.gz QGZPGUKTXJNBIO-GQCTYLIASA-N 2 2 255.365 3.080 20 0 CGADLP Cc1cn2cc(-c3ccc(OCC[NH+](C)C)cc3)ccc2[nH+]1 ZINC001242150052 822895141 /nfs/dbraw/zinc/89/51/41/822895141.db2.gz CZTMYCSMAOCYMN-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP Cc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1F ZINC001242239058 822922328 /nfs/dbraw/zinc/92/23/28/822922328.db2.gz UGTKCHNGLJPXLT-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1F ZINC001242239058 822922331 /nfs/dbraw/zinc/92/23/31/822922331.db2.gz UGTKCHNGLJPXLT-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC001342766074 936478617 /nfs/dbraw/zinc/47/86/17/936478617.db2.gz FVROPRUTFAPLBQ-OCCSQVGLSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1nc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC001351998776 937031367 /nfs/dbraw/zinc/03/13/67/937031367.db2.gz ULGOPMUUORWBTG-CYBMUJFWSA-N 2 2 283.485 3.216 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC001307702896 927955188 /nfs/dbraw/zinc/95/51/88/927955188.db2.gz MDOUPTUJTLRACG-BPKGMFCQSA-N 2 2 266.473 3.379 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC001307702896 927955199 /nfs/dbraw/zinc/95/51/99/927955199.db2.gz MDOUPTUJTLRACG-BPKGMFCQSA-N 2 2 266.473 3.379 20 0 CGADLP c1cn(-c2csc(C[NH2+]Cc3ccccc3)c2)c[nH+]1 ZINC001461000686 937558388 /nfs/dbraw/zinc/55/83/88/937558388.db2.gz PECKUTPBLGQHLV-UHFFFAOYSA-N 2 2 269.373 3.224 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C=CCCC3)c2)c[nH+]1 ZINC001461314436 937575901 /nfs/dbraw/zinc/57/59/01/937575901.db2.gz ANVRSDAJPUEZGC-GFCCVEGCSA-N 2 2 259.378 3.132 20 0 CGADLP Cc1cc(F)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(F)c1 ZINC001461424262 937580116 /nfs/dbraw/zinc/58/01/16/937580116.db2.gz MILRNPJTFWEPFS-UHFFFAOYSA-N 2 2 296.405 3.485 20 0 CGADLP c1cn(-c2csc(C[NH2+]C3Cc4ccccc4C3)c2)c[nH+]1 ZINC001461418076 937580190 /nfs/dbraw/zinc/58/01/90/937580190.db2.gz OVLUFEJOEWNLDT-UHFFFAOYSA-N 2 2 295.411 3.191 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC001462386483 937637329 /nfs/dbraw/zinc/63/73/29/937637329.db2.gz KMSVZMNQYNJTSP-VVLHAWIVSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1(C)C ZINC001462386483 937637331 /nfs/dbraw/zinc/63/73/31/937637331.db2.gz KMSVZMNQYNJTSP-VVLHAWIVSA-N 2 2 294.483 3.185 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC001308080619 933046506 /nfs/dbraw/zinc/04/65/06/933046506.db2.gz MLLNSRWBWNGJSM-CYBMUJFWSA-N 2 2 282.378 3.274 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC001308080619 933046508 /nfs/dbraw/zinc/04/65/08/933046508.db2.gz MLLNSRWBWNGJSM-CYBMUJFWSA-N 2 2 282.378 3.274 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001308158333 933061606 /nfs/dbraw/zinc/06/16/06/933061606.db2.gz WLGMKQJUEVIRBZ-GOSISDBHSA-N 2 2 290.451 3.182 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001308158333 933061608 /nfs/dbraw/zinc/06/16/08/933061608.db2.gz WLGMKQJUEVIRBZ-GOSISDBHSA-N 2 2 290.451 3.182 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001308224193 933075154 /nfs/dbraw/zinc/07/51/54/933075154.db2.gz PTMMGLUDLFAXTA-ZFWWWQNUSA-N 2 2 255.365 3.151 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001308264890 933084806 /nfs/dbraw/zinc/08/48/06/933084806.db2.gz UTYRIYWVPPKDMM-JKSUJKDBSA-N 2 2 288.435 3.017 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001308264890 933084811 /nfs/dbraw/zinc/08/48/11/933084811.db2.gz UTYRIYWVPPKDMM-JKSUJKDBSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc[nH]1 ZINC001308359330 933101160 /nfs/dbraw/zinc/10/11/60/933101160.db2.gz XYRQIDZYZOYYPX-ZDUSSCGKSA-N 2 2 266.348 3.051 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308544780 933128066 /nfs/dbraw/zinc/12/80/66/933128066.db2.gz VPSYRNQLFBIULI-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308544780 933128069 /nfs/dbraw/zinc/12/80/69/933128069.db2.gz VPSYRNQLFBIULI-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]c2ccccc12 ZINC001320737671 934096296 /nfs/dbraw/zinc/09/62/96/934096296.db2.gz YJCXTXBIKOJNEX-CRAIPNDOSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]c2ccccc12 ZINC001320737671 934096308 /nfs/dbraw/zinc/09/63/08/934096308.db2.gz YJCXTXBIKOJNEX-CRAIPNDOSA-N 2 2 295.430 3.464 20 0 CGADLP COc1c(C)c[nH+]c(CSCCn2cc[nH+]c2C)c1C ZINC001324946270 934875141 /nfs/dbraw/zinc/87/51/41/934875141.db2.gz SLASEXGRHICOGP-UHFFFAOYSA-N 2 2 291.420 3.145 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC001326039509 934945832 /nfs/dbraw/zinc/94/58/32/934945832.db2.gz SGKRCGKGUYBRMI-UHFFFAOYSA-N 2 2 289.467 3.047 20 0 CGADLP Cc1cc([NH2+][C@H]2CCCC23CC3)ccc1N1CC[NH+](C)CC1 ZINC001327790974 935085199 /nfs/dbraw/zinc/08/51/99/935085199.db2.gz FWDAWDUNJPVDSL-SFHVURJKSA-N 2 2 299.462 3.491 20 0 CGADLP Cc1cc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1N1CC[NH+](C)CC1 ZINC001327878579 935094018 /nfs/dbraw/zinc/09/40/18/935094018.db2.gz NCFWAKBJOMAYKS-NJAFHUGGSA-N 2 2 299.462 3.347 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(F)cccc1Cl ZINC001328399015 935134158 /nfs/dbraw/zinc/13/41/58/935134158.db2.gz PMYNTOTXVTWKPG-MNOVXSKESA-N 2 2 270.779 3.129 20 0 CGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC001328790915 935169686 /nfs/dbraw/zinc/16/96/86/935169686.db2.gz BXUQBZCRYPROSX-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC001328790915 935169687 /nfs/dbraw/zinc/16/96/87/935169687.db2.gz BXUQBZCRYPROSX-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccn1C1CC1 ZINC001330528731 935292330 /nfs/dbraw/zinc/29/23/30/935292330.db2.gz NOWNKALYLHBPMQ-HNNXBMFYSA-N 2 2 275.440 3.129 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccn1C1CC1 ZINC001330528731 935292333 /nfs/dbraw/zinc/29/23/33/935292333.db2.gz NOWNKALYLHBPMQ-HNNXBMFYSA-N 2 2 275.440 3.129 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccn1C1CC1 ZINC001330528731 935292337 /nfs/dbraw/zinc/29/23/37/935292337.db2.gz NOWNKALYLHBPMQ-HNNXBMFYSA-N 2 2 275.440 3.129 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccn1C1CC1 ZINC001330528731 935292340 /nfs/dbraw/zinc/29/23/40/935292340.db2.gz NOWNKALYLHBPMQ-HNNXBMFYSA-N 2 2 275.440 3.129 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1)C1CC1 ZINC001331673897 935402482 /nfs/dbraw/zinc/40/24/82/935402482.db2.gz INGYUXIMRLXYJD-KRWDZBQOSA-N 2 2 287.451 3.347 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001335431142 936145193 /nfs/dbraw/zinc/14/51/93/936145193.db2.gz BBSPFBFGBRUFJR-UHFFFAOYSA-N 2 2 299.422 3.450 20 0 CGADLP CCc1ccc(N2CCC([NH+]3CCCCC3)CC2)[nH+]c1 ZINC001337789571 936288711 /nfs/dbraw/zinc/28/87/11/936288711.db2.gz ILACMJOLVHZGDW-UHFFFAOYSA-N 2 2 273.424 3.099 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001473768288 937821226 /nfs/dbraw/zinc/82/12/26/937821226.db2.gz ADPYDXQFLNTNPE-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001473768288 937821228 /nfs/dbraw/zinc/82/12/28/937821228.db2.gz ADPYDXQFLNTNPE-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001473768288 937821230 /nfs/dbraw/zinc/82/12/30/937821230.db2.gz ADPYDXQFLNTNPE-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001473768288 937821231 /nfs/dbraw/zinc/82/12/31/937821231.db2.gz ADPYDXQFLNTNPE-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP COCC[C@H](C)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896484 937828589 /nfs/dbraw/zinc/82/85/89/937828589.db2.gz DHJGTYKYGWSVDS-GJZGRUSLSA-N 2 2 293.455 3.243 20 0 CGADLP COCC[C@H](C)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896484 937828591 /nfs/dbraw/zinc/82/85/91/937828591.db2.gz DHJGTYKYGWSVDS-GJZGRUSLSA-N 2 2 293.455 3.243 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC001473928311 937830820 /nfs/dbraw/zinc/83/08/20/937830820.db2.gz XCXNPCRPABETKI-LBPRGKRZSA-N 2 2 263.772 3.023 20 0 CGADLP CCCn1c[nH+]cc1CNc1[nH+]ccc(C)c1C1CC1 ZINC001474201829 937843572 /nfs/dbraw/zinc/84/35/72/937843572.db2.gz LQRSTNNZRIRFLF-UHFFFAOYSA-N 2 2 270.380 3.486 20 0 CGADLP C[C@H](CCOCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001474450255 937860335 /nfs/dbraw/zinc/86/03/35/937860335.db2.gz KHZXMBNVQJRPSL-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001474671524 937874156 /nfs/dbraw/zinc/87/41/56/937874156.db2.gz XTUHRWICOGYBSH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001474671524 937874157 /nfs/dbraw/zinc/87/41/57/937874157.db2.gz XTUHRWICOGYBSH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001474671524 937874158 /nfs/dbraw/zinc/87/41/58/937874158.db2.gz XTUHRWICOGYBSH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001474671524 937874159 /nfs/dbraw/zinc/87/41/59/937874159.db2.gz XTUHRWICOGYBSH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001549224103 938001373 /nfs/dbraw/zinc/00/13/73/938001373.db2.gz WJDIRVUULSJGNC-QKPAOTATSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001549224103 938001374 /nfs/dbraw/zinc/00/13/74/938001374.db2.gz WJDIRVUULSJGNC-QKPAOTATSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC001548835124 938152029 /nfs/dbraw/zinc/15/20/29/938152029.db2.gz ILPMVQCVVVZFFR-ZACQAIPSSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC001548835124 938152030 /nfs/dbraw/zinc/15/20/30/938152030.db2.gz ILPMVQCVVVZFFR-ZACQAIPSSA-N 2 2 281.403 3.156 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551378649 938180572 /nfs/dbraw/zinc/18/05/72/938180572.db2.gz RPYPTZVVCNUPBN-KKXDTOCCSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccs1 ZINC001551378383 938180756 /nfs/dbraw/zinc/18/07/56/938180756.db2.gz PHHMPWSMULZRBL-ZBINZKHDSA-N 2 2 258.390 3.023 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001560048201 938242711 /nfs/dbraw/zinc/24/27/11/938242711.db2.gz HRNLKCKQRNNIDG-UHFFFAOYSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)C1(C)CC1 ZINC001560199737 938246837 /nfs/dbraw/zinc/24/68/37/938246837.db2.gz BZFJHBAIQGBRNP-CQSZACIVSA-N 2 2 269.392 3.459 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001560806139 938276888 /nfs/dbraw/zinc/27/68/88/938276888.db2.gz QDLWLODTBCDBIJ-PMPSAXMXSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001560806139 938276889 /nfs/dbraw/zinc/27/68/89/938276889.db2.gz QDLWLODTBCDBIJ-PMPSAXMXSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(F)c1F ZINC001257207769 960427163 /nfs/dbraw/zinc/42/71/63/960427163.db2.gz IHYXOFXDTNJKEW-UHFFFAOYSA-N 2 2 282.378 3.236 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C[NH2+]1 ZINC001576671160 960481432 /nfs/dbraw/zinc/48/14/32/960481432.db2.gz SVUBMZXVJQXJPA-RISCZKNCSA-N 2 2 268.351 3.028 20 0 CGADLP CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]1 ZINC001575142352 962354962 /nfs/dbraw/zinc/35/49/62/962354962.db2.gz YLBLVJBWWIVMIR-OAHLLOKOSA-N 2 2 264.388 3.178 20 0 CGADLP CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]1 ZINC001575142352 962354976 /nfs/dbraw/zinc/35/49/76/962354976.db2.gz YLBLVJBWWIVMIR-OAHLLOKOSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cc(C)ccc1C ZINC001577176033 962517711 /nfs/dbraw/zinc/51/77/11/962517711.db2.gz PZNSEABFBWNEHT-QRTARXTBSA-N 2 2 260.425 3.342 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)c1cc(C)ccc1C ZINC001577176034 962520966 /nfs/dbraw/zinc/52/09/66/962520966.db2.gz PZNSEABFBWNEHT-UNEWFSDZSA-N 2 2 260.425 3.342 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001578507628 962590819 /nfs/dbraw/zinc/59/08/19/962590819.db2.gz RGCIFYYMYQSRKV-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP FC(F)(F)C1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC001580018213 962686117 /nfs/dbraw/zinc/68/61/17/962686117.db2.gz DGLXICKPTJJBGK-ZIAGYGMSSA-N 2 2 298.352 3.064 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC001580030148 962689842 /nfs/dbraw/zinc/68/98/42/962689842.db2.gz IZYQRQSLXNJAFT-AWEZNQCLSA-N 2 2 272.367 3.211 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)oc1C ZINC000337414144 214065185 /nfs/dbraw/zinc/06/51/85/214065185.db2.gz OQEMCWNCMVSATE-DYEKYZERSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)oc1C ZINC000337414144 214065188 /nfs/dbraw/zinc/06/51/88/214065188.db2.gz OQEMCWNCMVSATE-DYEKYZERSA-N 2 2 250.386 3.030 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCC2 ZINC000289967979 197545631 /nfs/dbraw/zinc/54/56/31/197545631.db2.gz BPMBKEVFZGSSTH-SJORKVTESA-N 2 2 288.435 3.260 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651225542 398218201 /nfs/dbraw/zinc/21/82/01/398218201.db2.gz MMRBHSXWBWICAY-IAGOWNOFSA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651225542 398218204 /nfs/dbraw/zinc/21/82/04/398218204.db2.gz MMRBHSXWBWICAY-IAGOWNOFSA-N 2 2 262.441 3.029 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474057876 282116307 /nfs/dbraw/zinc/11/63/07/282116307.db2.gz NKCMUMQXARCPLB-QZTJIDSGSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000651721902 398275680 /nfs/dbraw/zinc/27/56/80/398275680.db2.gz WWLIXOPYFCEJJF-SQWLQELKSA-N 2 2 261.413 3.319 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750668 398281697 /nfs/dbraw/zinc/28/16/97/398281697.db2.gz SGURKJCHFUQWEF-DOTOQJQBSA-N 2 2 271.408 3.435 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750525 398281736 /nfs/dbraw/zinc/28/17/36/398281736.db2.gz MCRMUKOFGMFIAY-ZBFHGGJFSA-N 2 2 271.408 3.435 20 0 CGADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750671 398282110 /nfs/dbraw/zinc/28/21/10/398282110.db2.gz SGURKJCHFUQWEF-WBVHZDCISA-N 2 2 271.408 3.435 20 0 CGADLP Cc1cccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000273105970 192044315 /nfs/dbraw/zinc/04/43/15/192044315.db2.gz PKMNVXZLRWDUQQ-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1cccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000273105970 192044317 /nfs/dbraw/zinc/04/43/17/192044317.db2.gz PKMNVXZLRWDUQQ-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000337996240 214351038 /nfs/dbraw/zinc/35/10/38/214351038.db2.gz NLMPEPDSUUZIFU-FHWLQOOXSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000337996240 214351041 /nfs/dbraw/zinc/35/10/41/214351041.db2.gz NLMPEPDSUUZIFU-FHWLQOOXSA-N 2 2 284.447 3.429 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652209186 398327290 /nfs/dbraw/zinc/32/72/90/398327290.db2.gz CAQPBZBSWXRKOR-KRWDZBQOSA-N 2 2 287.451 3.387 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423461078 529453472 /nfs/dbraw/zinc/45/34/72/529453472.db2.gz JHPZANIHMVJXNP-JSGCOSHPSA-N 2 2 258.365 3.335 20 0 CGADLP CC[C@H](F)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515096 529437740 /nfs/dbraw/zinc/43/77/40/529437740.db2.gz OWJABGPTQNTQDZ-KBPBESRZSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@H](F)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515096 529437742 /nfs/dbraw/zinc/43/77/42/529437742.db2.gz OWJABGPTQNTQDZ-KBPBESRZSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436678 529545382 /nfs/dbraw/zinc/54/53/82/529545382.db2.gz HACXFTIHKQUSCW-INIZCTEOSA-N 2 2 283.419 3.330 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000126073498 187215060 /nfs/dbraw/zinc/21/50/60/187215060.db2.gz QRMWOFWAOROTJJ-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000126073498 187215061 /nfs/dbraw/zinc/21/50/61/187215061.db2.gz QRMWOFWAOROTJJ-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@@H]1C ZINC000414067071 529585174 /nfs/dbraw/zinc/58/51/74/529585174.db2.gz IPPGMPDOINKXND-WBAXXEDZSA-N 2 2 287.451 3.070 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cncs1 ZINC000423516496 529611883 /nfs/dbraw/zinc/61/18/83/529611883.db2.gz XVUIDOBFVVUZMM-RISCZKNCSA-N 2 2 275.421 3.056 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423226536 529603843 /nfs/dbraw/zinc/60/38/43/529603843.db2.gz RBXCJYHUBJNDBC-KRWDZBQOSA-N 2 2 272.392 3.109 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]1C ZINC000414124223 529630090 /nfs/dbraw/zinc/63/00/90/529630090.db2.gz PGQCYYJRKFAFTA-XKQJLSEDSA-N 2 2 269.392 3.397 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423505676 529616729 /nfs/dbraw/zinc/61/67/29/529616729.db2.gz ORTWUKBLSQUZSI-USXIJHARSA-N 2 2 278.415 3.367 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423501671 529616752 /nfs/dbraw/zinc/61/67/52/529616752.db2.gz LKMKVQMFCYCGCE-KBXCAEBGSA-N 2 2 283.419 3.303 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361653 349788908 /nfs/dbraw/zinc/78/89/08/349788908.db2.gz JECZNBBBEDVCKC-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361653 349788913 /nfs/dbraw/zinc/78/89/13/349788913.db2.gz JECZNBBBEDVCKC-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1Cl ZINC000623371714 349792656 /nfs/dbraw/zinc/79/26/56/349792656.db2.gz OOZDDHPGGOQAHH-UHFFFAOYSA-N 2 2 293.798 3.115 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C)c1 ZINC000368104389 529660900 /nfs/dbraw/zinc/66/09/00/529660900.db2.gz FSTWWXQIHZIOLK-CABCVRRESA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C)c1 ZINC000368104389 529660903 /nfs/dbraw/zinc/66/09/03/529660903.db2.gz FSTWWXQIHZIOLK-CABCVRRESA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423542319 529670114 /nfs/dbraw/zinc/67/01/14/529670114.db2.gz ASKLSXCGXQWOIS-ZFWWWQNUSA-N 2 2 298.377 3.471 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C)cc1 ZINC000427856221 529672870 /nfs/dbraw/zinc/67/28/70/529672870.db2.gz VNKBDWUVTQVDRR-HOTGVXAUSA-N 2 2 269.392 3.247 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC000623422340 349803410 /nfs/dbraw/zinc/80/34/10/349803410.db2.gz RSOLSNOXKWPALT-CQSZACIVSA-N 2 2 283.847 3.191 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867356 346942869 /nfs/dbraw/zinc/94/28/69/346942869.db2.gz PKDBCWGXKVUHJG-GOEBONIOSA-N 2 2 255.365 3.281 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867356 346942873 /nfs/dbraw/zinc/94/28/73/346942873.db2.gz PKDBCWGXKVUHJG-GOEBONIOSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591867953 346943791 /nfs/dbraw/zinc/94/37/91/346943791.db2.gz UWTDZRRGMMAMRB-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591867953 346943795 /nfs/dbraw/zinc/94/37/95/346943795.db2.gz UWTDZRRGMMAMRB-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591915349 346946655 /nfs/dbraw/zinc/94/66/55/346946655.db2.gz DGXRDPOATPMDEP-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591915349 346946657 /nfs/dbraw/zinc/94/66/57/346946657.db2.gz DGXRDPOATPMDEP-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000623860703 349898254 /nfs/dbraw/zinc/89/82/54/349898254.db2.gz BYMXQNKBHPXMAU-DOTOQJQBSA-N 2 2 271.408 3.273 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423222275 529978668 /nfs/dbraw/zinc/97/86/68/529978668.db2.gz ALMHBYHQJNSKPV-HNNXBMFYSA-N 2 2 284.403 3.136 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188578 345244301 /nfs/dbraw/zinc/24/43/01/345244301.db2.gz SBIQQDSRAKTQHQ-HOTGVXAUSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188578 345244304 /nfs/dbraw/zinc/24/43/04/345244304.db2.gz SBIQQDSRAKTQHQ-HOTGVXAUSA-N 2 2 278.465 3.417 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCCc2scnc21)C[NH+]1CCCC1 ZINC000623970700 349932382 /nfs/dbraw/zinc/93/23/82/349932382.db2.gz YVWPUDBMKPPICL-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000623975481 349933243 /nfs/dbraw/zinc/93/32/43/349933243.db2.gz GPKFDHBEFWGSHV-IYXRBSQSSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599418 232220124 /nfs/dbraw/zinc/22/01/24/232220124.db2.gz WGEFWGKUZJLNIQ-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599418 232220125 /nfs/dbraw/zinc/22/01/25/232220125.db2.gz WGEFWGKUZJLNIQ-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC(C)(C)CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090077027 345780677 /nfs/dbraw/zinc/78/06/77/345780677.db2.gz CHKWHNJSRMSZBM-UHFFFAOYSA-N 2 2 289.467 3.462 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000090846683 345795665 /nfs/dbraw/zinc/79/56/65/345795665.db2.gz QTKTYQXEOASULF-UGSOOPFHSA-N 2 2 266.388 3.456 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847440 345796073 /nfs/dbraw/zinc/79/60/73/345796073.db2.gz SLMJYOZIWQPICB-CQSZACIVSA-N 2 2 270.376 3.292 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c[nH+]1 ZINC000092648659 345849097 /nfs/dbraw/zinc/84/90/97/345849097.db2.gz ZUTJNETXWPDUFY-AEFFLSMTSA-N 2 2 281.403 3.324 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683476 345885211 /nfs/dbraw/zinc/88/52/11/345885211.db2.gz DTOYWSPRDIREPC-AWEZNQCLSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683476 345885216 /nfs/dbraw/zinc/88/52/16/345885216.db2.gz DTOYWSPRDIREPC-AWEZNQCLSA-N 2 2 294.464 3.065 20 0 CGADLP c1ccc2[nH+]c(CCCNc3[nH]c4ccccc4[nH+]3)[nH]c2c1 ZINC000096638683 345903842 /nfs/dbraw/zinc/90/38/42/345903842.db2.gz RORWSKMOLZMNJK-UHFFFAOYSA-N 2 2 291.358 3.484 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000133031493 346074929 /nfs/dbraw/zinc/07/49/29/346074929.db2.gz LOBXZBQBGZDPAP-CYBMUJFWSA-N 2 2 255.365 3.008 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000177253409 232360737 /nfs/dbraw/zinc/36/07/37/232360737.db2.gz ZPPXXKSAYIRDFR-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000177253409 232360739 /nfs/dbraw/zinc/36/07/39/232360739.db2.gz ZPPXXKSAYIRDFR-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP CSCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154757557 346150477 /nfs/dbraw/zinc/15/04/77/346150477.db2.gz FDWIPRSDBDESPL-UHFFFAOYSA-N 2 2 298.883 3.257 20 0 CGADLP CC[NH+](CC)C[C@H](C)Nc1[nH+]ccc2ccccc21 ZINC000168676095 346191366 /nfs/dbraw/zinc/19/13/66/346191366.db2.gz JJZPUCBFOKDOAF-ZDUSSCGKSA-N 2 2 257.381 3.377 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624017304 349948617 /nfs/dbraw/zinc/94/86/17/349948617.db2.gz WGLFKJZRMGEWTR-DZGCQCFKSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624017304 349948620 /nfs/dbraw/zinc/94/86/20/349948620.db2.gz WGLFKJZRMGEWTR-DZGCQCFKSA-N 2 2 293.480 3.224 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000221733891 346298650 /nfs/dbraw/zinc/29/86/50/346298650.db2.gz RZLDIZAENGXBST-LOWVWBTDSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000221733891 346298653 /nfs/dbraw/zinc/29/86/53/346298653.db2.gz RZLDIZAENGXBST-LOWVWBTDSA-N 2 2 268.351 3.098 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000237088248 346343643 /nfs/dbraw/zinc/34/36/43/346343643.db2.gz WOZOOJLPGGIWQW-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000237088248 346343647 /nfs/dbraw/zinc/34/36/47/346343647.db2.gz WOZOOJLPGGIWQW-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252146465 346390083 /nfs/dbraw/zinc/39/00/83/346390083.db2.gz NZFGYIUOLWYVQX-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252146465 346390087 /nfs/dbraw/zinc/39/00/87/346390087.db2.gz NZFGYIUOLWYVQX-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594748499 347216934 /nfs/dbraw/zinc/21/69/34/347216934.db2.gz UAICZXQIBJDJEN-QGZVFWFLSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594748499 347216935 /nfs/dbraw/zinc/21/69/35/347216935.db2.gz UAICZXQIBJDJEN-QGZVFWFLSA-N 2 2 290.451 3.145 20 0 CGADLP CCSC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000597222045 347556583 /nfs/dbraw/zinc/55/65/83/347556583.db2.gz BNFAACXUQMQUIU-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP CSC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000602728798 348019411 /nfs/dbraw/zinc/01/94/11/348019411.db2.gz PAEOYRWYDKLUIC-UHFFFAOYSA-N 2 2 287.432 3.200 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000608075812 348282048 /nfs/dbraw/zinc/28/20/48/348282048.db2.gz XETAWYIENHJWOI-MRXNPFEDSA-N 2 2 281.359 3.087 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000339510674 215221204 /nfs/dbraw/zinc/22/12/04/215221204.db2.gz AOLOGIHCAPCVSH-NVXWUHKLSA-N 2 2 277.371 3.228 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339510761 215221734 /nfs/dbraw/zinc/22/17/34/215221734.db2.gz FXSIMNBELARWSZ-KBEGMRNHSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339510761 215221737 /nfs/dbraw/zinc/22/17/37/215221737.db2.gz FXSIMNBELARWSZ-KBEGMRNHSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339577280 215252728 /nfs/dbraw/zinc/25/27/28/215252728.db2.gz GFXSAUIWWMCLTI-KGLIPLIRSA-N 2 2 255.365 3.021 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339577280 215252730 /nfs/dbraw/zinc/25/27/30/215252730.db2.gz GFXSAUIWWMCLTI-KGLIPLIRSA-N 2 2 255.365 3.021 20 0 CGADLP CC1CC[NH+](CCc2cccc(NCc3[nH]cc[nH+]3)c2)CC1 ZINC000271291472 191054218 /nfs/dbraw/zinc/05/42/18/191054218.db2.gz SAWBUIMGEQVFEG-UHFFFAOYSA-N 2 2 298.434 3.296 20 0 CGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000352113626 219325096 /nfs/dbraw/zinc/32/50/96/219325096.db2.gz LIYGZNQEBRQXTO-IZNAZMGOSA-N 2 2 299.418 3.111 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2COc3cccc(C)c3C2)c[nH+]1 ZINC000628404207 350528151 /nfs/dbraw/zinc/52/81/51/350528151.db2.gz XEQGZSPVXCUYIZ-QGZVFWFLSA-N 2 2 296.414 3.224 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000629527288 350703047 /nfs/dbraw/zinc/70/30/47/350703047.db2.gz QNUIBAKXASAEEO-SQWLQELKSA-N 2 2 262.397 3.159 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000629534515 350705157 /nfs/dbraw/zinc/70/51/57/350705157.db2.gz ALAGLIYYODHVRG-WOPDTQHZSA-N 2 2 252.427 3.102 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000629538333 350705775 /nfs/dbraw/zinc/70/57/75/350705775.db2.gz LBOPAIUBYQMPHN-YRGRVCCFSA-N 2 2 278.465 3.418 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000629542281 350707371 /nfs/dbraw/zinc/70/73/71/350707371.db2.gz DAIDKBICHUGNBM-KFNAQCHYSA-N 2 2 282.378 3.392 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000629543107 350708336 /nfs/dbraw/zinc/70/83/36/350708336.db2.gz SYSZVDURDOGTEH-XBFCOCLRSA-N 2 2 252.427 3.319 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC000629543044 350708571 /nfs/dbraw/zinc/70/85/71/350708571.db2.gz ROXAGIOMERDTIR-HFBAOOFYSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C[NH2+]1 ZINC000629396572 350688494 /nfs/dbraw/zinc/68/84/94/350688494.db2.gz MWXRKXNYGHUURS-GOEBONIOSA-N 2 2 288.435 3.238 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629520377 350700614 /nfs/dbraw/zinc/70/06/14/350700614.db2.gz LARLROBODSVMGU-DZGCQCFKSA-N 2 2 274.433 3.098 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C[NH2+]1 ZINC000629659553 350732132 /nfs/dbraw/zinc/73/21/32/350732132.db2.gz BUOMYYPYGYFERT-ZFWWWQNUSA-N 2 2 270.376 3.177 20 0 CGADLP Cc1[nH]cc(-c2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000629696772 350741460 /nfs/dbraw/zinc/74/14/60/350741460.db2.gz INLOHQOBBSURCE-UHFFFAOYSA-N 2 2 255.365 3.371 20 0 CGADLP FC(F)(F)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000631065316 350941179 /nfs/dbraw/zinc/94/11/79/350941179.db2.gz QJEFDQOMQZNJFN-CQSZACIVSA-N 2 2 298.352 3.118 20 0 CGADLP FC(F)(F)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000631065316 350941182 /nfs/dbraw/zinc/94/11/82/350941182.db2.gz QJEFDQOMQZNJFN-CQSZACIVSA-N 2 2 298.352 3.118 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000631155255 350972275 /nfs/dbraw/zinc/97/22/75/350972275.db2.gz CLOBLRHPJIOHJC-WAYWQWQTSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@]34C[C@@H]3CCCC4)c[nH+]c12 ZINC000631224559 350997491 /nfs/dbraw/zinc/99/74/91/350997491.db2.gz AORYEQLRXKPXFM-BBRMVZONSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000631576943 351073923 /nfs/dbraw/zinc/07/39/23/351073923.db2.gz DTJGLNWNSLTGSR-ZBFHGGJFSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000631576943 351073927 /nfs/dbraw/zinc/07/39/27/351073927.db2.gz DTJGLNWNSLTGSR-ZBFHGGJFSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H](C)[NH+](C)C ZINC000631578408 351074963 /nfs/dbraw/zinc/07/49/63/351074963.db2.gz SLJOJRWRAYPZBQ-ZIAGYGMSSA-N 2 2 273.424 3.029 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834931 351149701 /nfs/dbraw/zinc/14/97/01/351149701.db2.gz IOKBTQKNUGAELS-INIZCTEOSA-N 2 2 275.440 3.217 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834931 351149703 /nfs/dbraw/zinc/14/97/03/351149703.db2.gz IOKBTQKNUGAELS-INIZCTEOSA-N 2 2 275.440 3.217 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886394 351152267 /nfs/dbraw/zinc/15/22/67/351152267.db2.gz JHLXKGNVIQTPMB-UKRRQHHQSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886394 351152273 /nfs/dbraw/zinc/15/22/73/351152273.db2.gz JHLXKGNVIQTPMB-UKRRQHHQSA-N 2 2 298.352 3.279 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000634981412 351615883 /nfs/dbraw/zinc/61/58/83/351615883.db2.gz IIVGRPWFLCHOEO-KRWDZBQOSA-N 2 2 299.418 3.067 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000634981412 351615887 /nfs/dbraw/zinc/61/58/87/351615887.db2.gz IIVGRPWFLCHOEO-KRWDZBQOSA-N 2 2 299.418 3.067 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1F ZINC000635009441 351627308 /nfs/dbraw/zinc/62/73/08/351627308.db2.gz NGCPTRWJVCLYPR-LRDDRELGSA-N 2 2 290.357 3.013 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122274653 187023863 /nfs/dbraw/zinc/02/38/63/187023863.db2.gz MOZBHDKPEIKJMQ-YPMHNXCESA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000122274653 187023864 /nfs/dbraw/zinc/02/38/64/187023864.db2.gz MOZBHDKPEIKJMQ-YPMHNXCESA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000123167267 187075265 /nfs/dbraw/zinc/07/52/65/187075265.db2.gz OQSWKFQEOBPKNU-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@H+]1C ZINC000123167267 187075266 /nfs/dbraw/zinc/07/52/66/187075266.db2.gz OQSWKFQEOBPKNU-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167267 187075267 /nfs/dbraw/zinc/07/52/67/187075267.db2.gz OQSWKFQEOBPKNU-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167267 187075268 /nfs/dbraw/zinc/07/52/68/187075268.db2.gz OQSWKFQEOBPKNU-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000365245823 234091975 /nfs/dbraw/zinc/09/19/75/234091975.db2.gz XKJMKYMIMVHJDN-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000365245823 234091979 /nfs/dbraw/zinc/09/19/79/234091979.db2.gz XKJMKYMIMVHJDN-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000365442808 234102942 /nfs/dbraw/zinc/10/29/42/234102942.db2.gz LTJKALZSSSYEHW-ZDUSSCGKSA-N 2 2 255.365 3.099 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365620527 234116560 /nfs/dbraw/zinc/11/65/60/234116560.db2.gz CFQBUCAEDLXUJJ-MRXNPFEDSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365620527 234116564 /nfs/dbraw/zinc/11/65/64/234116564.db2.gz CFQBUCAEDLXUJJ-MRXNPFEDSA-N 2 2 269.392 3.108 20 0 CGADLP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000422734455 295852217 /nfs/dbraw/zinc/85/22/17/295852217.db2.gz SIRIJMHHWSOXNR-HOTGVXAUSA-N 3 2 291.483 3.223 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000151129150 187946502 /nfs/dbraw/zinc/94/65/02/187946502.db2.gz DABCCYNPWVWASB-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000368023592 234270515 /nfs/dbraw/zinc/27/05/15/234270515.db2.gz RQJPXYIRHBOBSH-MRXNPFEDSA-N 2 2 270.376 3.405 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000368023592 234270518 /nfs/dbraw/zinc/27/05/18/234270518.db2.gz RQJPXYIRHBOBSH-MRXNPFEDSA-N 2 2 270.376 3.405 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnc2ccsc2c1 ZINC000368104702 234282940 /nfs/dbraw/zinc/28/29/40/234282940.db2.gz IVNRXPUIYOXDSJ-JQWIXIFHSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cnc2ccsc2c1 ZINC000368104702 234282944 /nfs/dbraw/zinc/28/29/44/234282944.db2.gz IVNRXPUIYOXDSJ-JQWIXIFHSA-N 2 2 298.415 3.228 20 0 CGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000153742625 188100797 /nfs/dbraw/zinc/10/07/97/188100797.db2.gz LWLDKHUKOYUXFN-NSHDSACASA-N 2 2 290.860 3.020 20 0 CGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000153742625 188100798 /nfs/dbraw/zinc/10/07/98/188100798.db2.gz LWLDKHUKOYUXFN-NSHDSACASA-N 2 2 290.860 3.020 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cnc2ccsc2c1 ZINC000154612381 188153325 /nfs/dbraw/zinc/15/33/25/188153325.db2.gz UKSWHJMARLYWLL-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cnc2ccsc2c1 ZINC000154612381 188153326 /nfs/dbraw/zinc/15/33/26/188153326.db2.gz UKSWHJMARLYWLL-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(NCc3c[nH+]cn3C)cc2)C1 ZINC000156106326 188243107 /nfs/dbraw/zinc/24/31/07/188243107.db2.gz YUPAWXOOUGTBBJ-HNNXBMFYSA-N 2 2 298.434 3.264 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]cn3C)cc2)C1 ZINC000156106326 188243109 /nfs/dbraw/zinc/24/31/09/188243109.db2.gz YUPAWXOOUGTBBJ-HNNXBMFYSA-N 2 2 298.434 3.264 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccncc2)[NH+](C)C)cc1 ZINC000156530457 188267642 /nfs/dbraw/zinc/26/76/42/188267642.db2.gz DUFVVDMFVRQRQU-QAPCUYQASA-N 2 2 283.419 3.344 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157273891 188307186 /nfs/dbraw/zinc/30/71/86/188307186.db2.gz QJIVABCMALUKOF-QGZVFWFLSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157273891 188307188 /nfs/dbraw/zinc/30/71/88/188307188.db2.gz QJIVABCMALUKOF-QGZVFWFLSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360037193 283019846 /nfs/dbraw/zinc/01/98/46/283019846.db2.gz JIZYNOIWGOVKKD-KRWDZBQOSA-N 2 2 299.393 3.178 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCC2 ZINC000271822224 191349671 /nfs/dbraw/zinc/34/96/71/191349671.db2.gz CKLJEOBIRLTXTB-IRXDYDNUSA-N 2 2 288.435 3.260 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1C[C@H]1C ZINC000414079189 235330819 /nfs/dbraw/zinc/33/08/19/235330819.db2.gz SOVBFPGQACPFPL-AGIUHOORSA-N 2 2 257.381 3.130 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C3(C4CCC4)CCC3)CC2)nc1 ZINC000414173504 235353959 /nfs/dbraw/zinc/35/39/59/235353959.db2.gz GHONRRRWRNIYLI-UHFFFAOYSA-N 2 2 299.462 3.358 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000123700531 138369543 /nfs/dbraw/zinc/36/95/43/138369543.db2.gz RFUBDRKJQBMXOZ-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000123700531 138369544 /nfs/dbraw/zinc/36/95/44/138369544.db2.gz RFUBDRKJQBMXOZ-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700531 138369545 /nfs/dbraw/zinc/36/95/45/138369545.db2.gz RFUBDRKJQBMXOZ-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700531 138369547 /nfs/dbraw/zinc/36/95/47/138369547.db2.gz RFUBDRKJQBMXOZ-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423233968 236004155 /nfs/dbraw/zinc/00/41/55/236004155.db2.gz FDYJOLBQKHASRN-RHSMWYFYSA-N 2 2 254.377 3.346 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240901 236006519 /nfs/dbraw/zinc/00/65/19/236006519.db2.gz UHNWXYXULYRZNO-MOPGFXCFSA-N 2 2 280.415 3.426 20 0 CGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423243101 236007299 /nfs/dbraw/zinc/00/72/99/236007299.db2.gz MSAVTTKSSABDEG-YOEHRIQHSA-N 2 2 298.434 3.259 20 0 CGADLP [NH3+][C@H](C[NH2+]C(C1CCC1)C1CCC1)c1ccccc1 ZINC000423250734 236008876 /nfs/dbraw/zinc/00/88/76/236008876.db2.gz QZCWOTLOSNRKSM-MRXNPFEDSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)c1ccccc1 ZINC000423254184 236009880 /nfs/dbraw/zinc/00/98/80/236009880.db2.gz XLDHCWNOQUGMSP-ROUUACIJSA-N 2 2 281.403 3.212 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)o1 ZINC000423391408 236061304 /nfs/dbraw/zinc/06/13/04/236061304.db2.gz PJEOKKWHLDCYJF-JSGCOSHPSA-N 2 2 250.386 3.017 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423357805 236049645 /nfs/dbraw/zinc/04/96/45/236049645.db2.gz ATZWJCBPLQVZFR-IUCAKERBSA-N 2 2 297.196 3.193 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423362540 236050283 /nfs/dbraw/zinc/05/02/83/236050283.db2.gz BEJLEXYPNUVMKB-KDOFPFPSSA-N 2 2 286.419 3.244 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]1 ZINC000423369878 236053342 /nfs/dbraw/zinc/05/33/42/236053342.db2.gz CJAJXDRRCRFZFK-JEBQAFNWSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423378539 236055867 /nfs/dbraw/zinc/05/58/67/236055867.db2.gz GBPZRCXFWKMWNS-WCQYABFASA-N 2 2 252.427 3.177 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423419124 236068747 /nfs/dbraw/zinc/06/87/47/236068747.db2.gz ALXCVFAGALVKIV-XDNAFOTISA-N 2 2 298.817 3.237 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C2CCCC2)o1 ZINC000423450136 236073962 /nfs/dbraw/zinc/07/39/62/236073962.db2.gz SKYVBMUDUPSMEV-LALPHHSUSA-N 2 2 250.386 3.145 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423459848 236075912 /nfs/dbraw/zinc/07/59/12/236075912.db2.gz ILTHUBUOTCFLPQ-SRVKXCTJSA-N 2 2 275.421 3.196 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423502283 236088385 /nfs/dbraw/zinc/08/83/85/236088385.db2.gz DWUWSTKKUDNDLM-CWRNSKLLSA-N 2 2 286.444 3.463 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000424368020 236157332 /nfs/dbraw/zinc/15/73/32/236157332.db2.gz OKMWSSRTCJNFAV-CHWSQXEVSA-N 2 2 278.783 3.446 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375304 236158289 /nfs/dbraw/zinc/15/82/89/236158289.db2.gz MQDVQFQUCQMKCO-MORSLUCNSA-N 3 2 298.434 3.101 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)[N@@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424271899 236139655 /nfs/dbraw/zinc/13/96/55/236139655.db2.gz STCPAXQSNHQEFX-ZCVDQKGDSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)[N@H+]3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424271899 236139657 /nfs/dbraw/zinc/13/96/57/236139657.db2.gz STCPAXQSNHQEFX-ZCVDQKGDSA-N 2 2 294.483 3.043 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](C2CCC2)C2CCCCC2)c1 ZINC000424299367 236144264 /nfs/dbraw/zinc/14/42/64/236144264.db2.gz DWXMUPDYDIARPE-KRWDZBQOSA-N 2 2 275.440 3.301 20 0 CGADLP C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422949790 299267073 /nfs/dbraw/zinc/26/70/73/299267073.db2.gz WJZRIBJIEBSFBC-FZMZJTMJSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1F ZINC000294823466 199199501 /nfs/dbraw/zinc/19/95/01/199199501.db2.gz MYSOHHNUFPYASI-BBRMVZONSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1F ZINC000294823466 199199503 /nfs/dbraw/zinc/19/95/03/199199503.db2.gz MYSOHHNUFPYASI-BBRMVZONSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294944366 199263454 /nfs/dbraw/zinc/26/34/54/199263454.db2.gz BTWMYBSAUXJQLE-WWGRRREGSA-N 2 2 287.432 3.274 20 0 CGADLP CC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000297287744 200135213 /nfs/dbraw/zinc/13/52/13/200135213.db2.gz XQYUBEZVWFHZHH-UHFFFAOYSA-N 2 2 288.435 3.194 20 0 CGADLP CC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000297287744 200135215 /nfs/dbraw/zinc/13/52/15/200135215.db2.gz XQYUBEZVWFHZHH-UHFFFAOYSA-N 2 2 288.435 3.194 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000297638072 200248890 /nfs/dbraw/zinc/24/88/90/200248890.db2.gz IEJOHRUXVBUWFH-KRWDZBQOSA-N 2 2 271.408 3.436 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000297638072 200248891 /nfs/dbraw/zinc/24/88/91/200248891.db2.gz IEJOHRUXVBUWFH-KRWDZBQOSA-N 2 2 271.408 3.436 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000297626758 200245794 /nfs/dbraw/zinc/24/57/94/200245794.db2.gz HMSHXVMLSIFQMP-GOSISDBHSA-N 2 2 283.419 3.362 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC000297626758 200245796 /nfs/dbraw/zinc/24/57/96/200245796.db2.gz HMSHXVMLSIFQMP-GOSISDBHSA-N 2 2 283.419 3.362 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000297725493 200269302 /nfs/dbraw/zinc/26/93/02/200269302.db2.gz SEFKNCVWHJXPND-AWEZNQCLSA-N 2 2 275.421 3.107 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000297725493 200269305 /nfs/dbraw/zinc/26/93/05/200269305.db2.gz SEFKNCVWHJXPND-AWEZNQCLSA-N 2 2 275.421 3.107 20 0 CGADLP CCOC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000298259790 200374203 /nfs/dbraw/zinc/37/42/03/200374203.db2.gz MEOLLLJBJIVQBS-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174925 189034001 /nfs/dbraw/zinc/03/40/01/189034001.db2.gz KLORQVYAXOHJMV-IUODEOHRSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174925 189034002 /nfs/dbraw/zinc/03/40/02/189034002.db2.gz KLORQVYAXOHJMV-IUODEOHRSA-N 2 2 273.380 3.295 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)CCCOC)[NH+](C)C)cc1 ZINC000178061199 189088477 /nfs/dbraw/zinc/08/84/77/189088477.db2.gz IUXXLDMWSARKPI-QAPCUYQASA-N 2 2 292.467 3.256 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000178369581 189110951 /nfs/dbraw/zinc/11/09/51/189110951.db2.gz LAADILGODLNXTG-CYBMUJFWSA-N 2 2 262.397 3.337 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000178517425 189123100 /nfs/dbraw/zinc/12/31/00/189123100.db2.gz XSPWAZLWPZHSLR-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000178517425 189123101 /nfs/dbraw/zinc/12/31/01/189123101.db2.gz XSPWAZLWPZHSLR-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000178527580 189124472 /nfs/dbraw/zinc/12/44/72/189124472.db2.gz PGOXUAMCLAKOAP-UHFFFAOYSA-N 2 2 272.392 3.395 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)nc1 ZINC000179137092 189172587 /nfs/dbraw/zinc/17/25/87/189172587.db2.gz XBRKCQXYDVWING-LBPRGKRZSA-N 2 2 290.798 3.283 20 0 CGADLP Clc1cccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)c1 ZINC000179673115 189212527 /nfs/dbraw/zinc/21/25/27/189212527.db2.gz TUBFIBYPTVEEAK-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC000179641888 189209866 /nfs/dbraw/zinc/20/98/66/189209866.db2.gz MNTQMWNKTQDMOA-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC000179641888 189209867 /nfs/dbraw/zinc/20/98/67/189209867.db2.gz MNTQMWNKTQDMOA-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)c2ccccc21 ZINC000252787270 283605688 /nfs/dbraw/zinc/60/56/88/283605688.db2.gz QHBHVZWQHYEDKX-OWCLPIDISA-N 2 2 268.360 3.391 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517540 189260136 /nfs/dbraw/zinc/26/01/36/189260136.db2.gz SNBSBTOZWOTEAR-GFCCVEGCSA-N 2 2 286.341 3.020 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517540 189260137 /nfs/dbraw/zinc/26/01/37/189260137.db2.gz SNBSBTOZWOTEAR-GFCCVEGCSA-N 2 2 286.341 3.020 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517540 189260138 /nfs/dbraw/zinc/26/01/38/189260138.db2.gz SNBSBTOZWOTEAR-GFCCVEGCSA-N 2 2 286.341 3.020 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517540 189260139 /nfs/dbraw/zinc/26/01/39/189260139.db2.gz SNBSBTOZWOTEAR-GFCCVEGCSA-N 2 2 286.341 3.020 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181060889 189287145 /nfs/dbraw/zinc/28/71/45/189287145.db2.gz CSKZJGAKAGMYND-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181060889 189287146 /nfs/dbraw/zinc/28/71/46/189287146.db2.gz CSKZJGAKAGMYND-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000181089452 189288734 /nfs/dbraw/zinc/28/87/34/189288734.db2.gz LOZYOLRUYSPEKM-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000181089452 189288735 /nfs/dbraw/zinc/28/87/35/189288735.db2.gz LOZYOLRUYSPEKM-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC000181113160 189289319 /nfs/dbraw/zinc/28/93/19/189289319.db2.gz ZSAGXWKEMYTVQI-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC000181113160 189289320 /nfs/dbraw/zinc/28/93/20/189289320.db2.gz ZSAGXWKEMYTVQI-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1nc(NCc2ccc(N3CCCC3)[nH+]c2)c(C)c(C)[nH+]1 ZINC000301440835 201009435 /nfs/dbraw/zinc/00/94/35/201009435.db2.gz MPRPQDOPWBXJGV-UHFFFAOYSA-N 2 2 297.406 3.009 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119612728 370691562 /nfs/dbraw/zinc/69/15/62/370691562.db2.gz GBMTULDKZDOBDR-SJLPKXTDSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[N@H+](CCNc2cc[nH+]c3ccsc32)C1 ZINC000301513523 201040201 /nfs/dbraw/zinc/04/02/01/201040201.db2.gz JFPXSNGMTYDFOR-GFCCVEGCSA-N 2 2 275.421 3.440 20 0 CGADLP C[C@@H]1CCC[N@@H+](CCNc2cc[nH+]c3ccsc32)C1 ZINC000301513523 201040204 /nfs/dbraw/zinc/04/02/04/201040204.db2.gz JFPXSNGMTYDFOR-GFCCVEGCSA-N 2 2 275.421 3.440 20 0 CGADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000301520813 201043787 /nfs/dbraw/zinc/04/37/87/201043787.db2.gz NFKGJBONZZWCIF-NWDGAFQWSA-N 2 2 267.804 3.267 20 0 CGADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000301520813 201043790 /nfs/dbraw/zinc/04/37/90/201043790.db2.gz NFKGJBONZZWCIF-NWDGAFQWSA-N 2 2 267.804 3.267 20 0 CGADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000301520814 201044155 /nfs/dbraw/zinc/04/41/55/201044155.db2.gz NFKGJBONZZWCIF-RYUDHWBXSA-N 2 2 267.804 3.267 20 0 CGADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000301520814 201044159 /nfs/dbraw/zinc/04/41/59/201044159.db2.gz NFKGJBONZZWCIF-RYUDHWBXSA-N 2 2 267.804 3.267 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342333931 216314319 /nfs/dbraw/zinc/31/43/19/216314319.db2.gz SDVKPLVDKLDKMX-FZMZJTMJSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000342333931 216314321 /nfs/dbraw/zinc/31/43/21/216314321.db2.gz SDVKPLVDKLDKMX-FZMZJTMJSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301590730 201085072 /nfs/dbraw/zinc/08/50/72/201085072.db2.gz QPADAXVYBOQUHD-UHFFFAOYSA-N 2 2 287.411 3.171 20 0 CGADLP c1cn(CCC[NH+]2CCC(Cc3ccccc3)CC2)c[nH+]1 ZINC000182615738 189329154 /nfs/dbraw/zinc/32/91/54/189329154.db2.gz VOQAHCNXUXLXHG-UHFFFAOYSA-N 2 2 283.419 3.228 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182800966 189335802 /nfs/dbraw/zinc/33/58/02/189335802.db2.gz ZDSLAAKGBIBSJQ-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182800966 189335803 /nfs/dbraw/zinc/33/58/03/189335803.db2.gz ZDSLAAKGBIBSJQ-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000183159413 189348734 /nfs/dbraw/zinc/34/87/34/189348734.db2.gz NNFQCBUDTYDSFX-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000183159413 189348735 /nfs/dbraw/zinc/34/87/35/189348735.db2.gz NNFQCBUDTYDSFX-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cccnc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000449049800 239142875 /nfs/dbraw/zinc/14/28/75/239142875.db2.gz SDNFDPSPLSBQDP-BBRMVZONSA-N 2 2 296.374 3.107 20 0 CGADLP COCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449108807 239184524 /nfs/dbraw/zinc/18/45/24/239184524.db2.gz VVUZXJNFWCZDNK-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449272361 239282782 /nfs/dbraw/zinc/28/27/82/239282782.db2.gz VVTXJHFEGSZZAR-UKRRQHHQSA-N 2 2 266.816 3.127 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CCCC34CCC4)[nH+]c2)c[nH+]1 ZINC000449320364 239311947 /nfs/dbraw/zinc/31/19/47/239311947.db2.gz NOFNFBDNXQWKPL-OAHLLOKOSA-N 2 2 282.391 3.461 20 0 CGADLP Cc1cccn2c(C[NH2+]CCCC(C)(F)F)c[nH+]c12 ZINC000449348978 239337103 /nfs/dbraw/zinc/33/71/03/239337103.db2.gz DPVAHUMHOABCGZ-UHFFFAOYSA-N 2 2 267.323 3.168 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@@H+]1C ZINC000459471214 291309798 /nfs/dbraw/zinc/30/97/98/291309798.db2.gz BHCUBJPWVMEWJQ-FQXVJMBOSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@H+]1C ZINC000459471214 291309803 /nfs/dbraw/zinc/30/98/03/291309803.db2.gz BHCUBJPWVMEWJQ-FQXVJMBOSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918057 299343384 /nfs/dbraw/zinc/34/33/84/299343384.db2.gz HGRNQGPQAMBRRW-MJVIPROJSA-N 2 2 286.341 3.497 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451987094 240390513 /nfs/dbraw/zinc/39/05/13/240390513.db2.gz JIOHFZQHPMIMFE-QGZVFWFLSA-N 2 2 287.382 3.476 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451987094 240390515 /nfs/dbraw/zinc/39/05/15/240390515.db2.gz JIOHFZQHPMIMFE-QGZVFWFLSA-N 2 2 287.382 3.476 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000275681478 193103617 /nfs/dbraw/zinc/10/36/17/193103617.db2.gz HDUYQBTVVSGASF-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)Cn1cc[nH+]c1 ZINC000459379981 242095208 /nfs/dbraw/zinc/09/52/08/242095208.db2.gz AJZHPHJGUGZZOI-AWEZNQCLSA-N 2 2 269.392 3.186 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000459653834 242165806 /nfs/dbraw/zinc/16/58/06/242165806.db2.gz DMIBLEZDWUAVGQ-NSHDSACASA-N 2 2 293.411 3.174 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000459658946 242167448 /nfs/dbraw/zinc/16/74/48/242167448.db2.gz JOOOFKNZSJLLEL-MJGOQNOKSA-N 2 2 297.446 3.354 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000462687132 242358326 /nfs/dbraw/zinc/35/83/26/242358326.db2.gz RPNFDJUXBZAXLV-BZUAXINKSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000462687132 242358331 /nfs/dbraw/zinc/35/83/31/242358331.db2.gz RPNFDJUXBZAXLV-BZUAXINKSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000482092986 243215789 /nfs/dbraw/zinc/21/57/89/243215789.db2.gz HZPBYTLNFHXGID-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@H+](C)C(C)C)C2CC2)cc1 ZINC000482092986 243215794 /nfs/dbraw/zinc/21/57/94/243215794.db2.gz HZPBYTLNFHXGID-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000482461497 243227021 /nfs/dbraw/zinc/22/70/21/243227021.db2.gz SOQLMNGOFRSLNG-DQYPLSBCSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000482461497 243227024 /nfs/dbraw/zinc/22/70/24/243227024.db2.gz SOQLMNGOFRSLNG-DQYPLSBCSA-N 2 2 276.399 3.207 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000484470544 243313898 /nfs/dbraw/zinc/31/38/98/243313898.db2.gz GLTICRNKKWFQQB-DOTOQJQBSA-N 2 2 292.492 3.391 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000483974410 243304479 /nfs/dbraw/zinc/30/44/79/243304479.db2.gz HBIHQCDXCLGMRC-UKRRQHHQSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000483974410 243304482 /nfs/dbraw/zinc/30/44/82/243304482.db2.gz HBIHQCDXCLGMRC-UKRRQHHQSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000484479229 243313640 /nfs/dbraw/zinc/31/36/40/243313640.db2.gz WVQRQDZDDHCJBX-DOTOQJQBSA-N 2 2 292.492 3.391 20 0 CGADLP C[C@@H](NCC[NH+]1CCC2(CCCCC2)CC1)c1[nH]cc[nH+]1 ZINC000367619304 296125119 /nfs/dbraw/zinc/12/51/19/296125119.db2.gz VSTWZHRTFKEBNB-OAHLLOKOSA-N 2 2 290.455 3.107 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000019943250 368787875 /nfs/dbraw/zinc/78/78/75/368787875.db2.gz GRTBPIHQKYWNPX-CQSZACIVSA-N 2 2 294.439 3.086 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000019959427 368790733 /nfs/dbraw/zinc/79/07/33/368790733.db2.gz JLYXHBXRQSWXGF-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000019959427 368790738 /nfs/dbraw/zinc/79/07/38/368790738.db2.gz JLYXHBXRQSWXGF-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000019960234 368790959 /nfs/dbraw/zinc/79/09/59/368790959.db2.gz ILJPXGRWYZARSA-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000019960234 368790963 /nfs/dbraw/zinc/79/09/63/368790963.db2.gz ILJPXGRWYZARSA-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000037140962 369068377 /nfs/dbraw/zinc/06/83/77/369068377.db2.gz PZDDIMFHWLMFCO-NSHDSACASA-N 2 2 250.411 3.026 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000037158106 369072382 /nfs/dbraw/zinc/07/23/82/369072382.db2.gz AAOKGYIZMITFBF-SWLSCSKDSA-N 2 2 261.344 3.152 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000037157404 369072402 /nfs/dbraw/zinc/07/24/02/369072402.db2.gz NGGUFIYPOMMRJU-VXGBXAGGSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000037157521 369072693 /nfs/dbraw/zinc/07/26/93/369072693.db2.gz YUKDYHDAVKHCQM-NXEZZACHSA-N 2 2 269.801 3.337 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037996799 369136426 /nfs/dbraw/zinc/13/64/26/369136426.db2.gz MZGUNHUJMRYZEH-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000041064085 369170783 /nfs/dbraw/zinc/17/07/83/369170783.db2.gz WSEDGUOKHFOYRM-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000042297420 369212008 /nfs/dbraw/zinc/21/20/08/369212008.db2.gz UIEDRWXLNMCSTN-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP c1csc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000043326837 369249010 /nfs/dbraw/zinc/24/90/10/369249010.db2.gz JAQDQDMOUQJNCC-DZGCQCFKSA-N 2 2 264.438 3.321 20 0 CGADLP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000045663507 369283764 /nfs/dbraw/zinc/28/37/64/369283764.db2.gz SUZQBBBVJDVYAS-HNNXBMFYSA-N 2 2 252.377 3.208 20 0 CGADLP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000045664143 369283836 /nfs/dbraw/zinc/28/38/36/369283836.db2.gz NICQDBKSKIFKQQ-INIZCTEOSA-N 2 2 276.424 3.004 20 0 CGADLP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC ZINC000045663963 369283976 /nfs/dbraw/zinc/28/39/76/369283976.db2.gz XWJWXJRJBZNRAP-OAHLLOKOSA-N 2 2 264.413 3.078 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000054078578 369492326 /nfs/dbraw/zinc/49/23/26/369492326.db2.gz XMBYIMWWHVLHAK-AWEZNQCLSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129570054 370992373 /nfs/dbraw/zinc/99/23/73/370992373.db2.gz UTZIEZKJNQSBTQ-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129570054 370992380 /nfs/dbraw/zinc/99/23/80/370992380.db2.gz UTZIEZKJNQSBTQ-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP c1ccc([C@H](C[NH2+][C@@H]2CCCSC2)[NH+]2CCCC2)cc1 ZINC000061571557 369602770 /nfs/dbraw/zinc/60/27/70/369602770.db2.gz FCPFNCHGLJBKCL-SJORKVTESA-N 2 2 290.476 3.309 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000068691227 369746716 /nfs/dbraw/zinc/74/67/16/369746716.db2.gz YNDBAGCXCQFWRF-VXGBXAGGSA-N 2 2 286.404 3.232 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074712 369779544 /nfs/dbraw/zinc/77/95/44/369779544.db2.gz ADQKLSVADHUSFK-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074712 369779547 /nfs/dbraw/zinc/77/95/47/369779547.db2.gz ADQKLSVADHUSFK-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000070148761 369782804 /nfs/dbraw/zinc/78/28/04/369782804.db2.gz WVPYXJFKONOZJC-AWEZNQCLSA-N 2 2 297.240 3.152 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1 ZINC000070148761 369782808 /nfs/dbraw/zinc/78/28/08/369782808.db2.gz WVPYXJFKONOZJC-AWEZNQCLSA-N 2 2 297.240 3.152 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000085129621 370016018 /nfs/dbraw/zinc/01/60/18/370016018.db2.gz YZCFJYJMMDQNOA-OLZOCXBDSA-N 2 2 278.362 3.183 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000093368548 370120642 /nfs/dbraw/zinc/12/06/42/370120642.db2.gz WNWRCGASQKZRGO-INIZCTEOSA-N 2 2 287.407 3.331 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770709 370158725 /nfs/dbraw/zinc/15/87/25/370158725.db2.gz DDNMPXAZMZALSB-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770709 370158727 /nfs/dbraw/zinc/15/87/27/370158727.db2.gz DDNMPXAZMZALSB-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770709 370158732 /nfs/dbraw/zinc/15/87/32/370158732.db2.gz DDNMPXAZMZALSB-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770709 370158734 /nfs/dbraw/zinc/15/87/34/370158734.db2.gz DDNMPXAZMZALSB-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CCc1nc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000103341023 370322333 /nfs/dbraw/zinc/32/23/33/370322333.db2.gz WBSYQNLZVMKJTC-UHFFFAOYSA-N 2 2 281.469 3.104 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1C(F)(F)F ZINC000112342731 370422394 /nfs/dbraw/zinc/42/23/94/370422394.db2.gz HKCSWIBYVDGACU-VIFPVBQESA-N 2 2 269.270 3.279 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000113513902 370475694 /nfs/dbraw/zinc/47/56/94/370475694.db2.gz WNLSJNCHWBBBFB-GFCCVEGCSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000113513902 370475699 /nfs/dbraw/zinc/47/56/99/370475699.db2.gz WNLSJNCHWBBBFB-GFCCVEGCSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000113512306 370476772 /nfs/dbraw/zinc/47/67/72/370476772.db2.gz VRRXWGNWTRGPGJ-ZDUSSCGKSA-N 2 2 286.341 3.089 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000113512306 370476780 /nfs/dbraw/zinc/47/67/80/370476780.db2.gz VRRXWGNWTRGPGJ-ZDUSSCGKSA-N 2 2 286.341 3.089 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199470 370493039 /nfs/dbraw/zinc/49/30/39/370493039.db2.gz GCQBUCAFGCKSQC-CHWSQXEVSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199470 370493041 /nfs/dbraw/zinc/49/30/41/370493041.db2.gz GCQBUCAFGCKSQC-CHWSQXEVSA-N 2 2 266.816 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514083958 245106554 /nfs/dbraw/zinc/10/65/54/245106554.db2.gz NNLZMKQYDNBSOQ-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514083958 245106558 /nfs/dbraw/zinc/10/65/58/245106558.db2.gz NNLZMKQYDNBSOQ-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)Cn1cc[nH+]c1 ZINC000118960733 370631159 /nfs/dbraw/zinc/63/11/59/370631159.db2.gz VVSRICHJUCHZAJ-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000130143392 371013790 /nfs/dbraw/zinc/01/37/90/371013790.db2.gz JKPAZFATUFFCTK-BFHYXJOUSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000130143392 371013798 /nfs/dbraw/zinc/01/37/98/371013798.db2.gz JKPAZFATUFFCTK-BFHYXJOUSA-N 2 2 292.398 3.112 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000130205898 371018390 /nfs/dbraw/zinc/01/83/90/371018390.db2.gz FREWENPBSOIHNH-DLBZAZTESA-N 2 2 269.392 3.199 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C[N@@H+]1C1CC1 ZINC000131236507 371091787 /nfs/dbraw/zinc/09/17/87/371091787.db2.gz XBQZUFYPVARFIM-OLZOCXBDSA-N 2 2 278.465 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C[N@H+]1C1CC1 ZINC000131236507 371091793 /nfs/dbraw/zinc/09/17/93/371091793.db2.gz XBQZUFYPVARFIM-OLZOCXBDSA-N 2 2 278.465 3.241 20 0 CGADLP CC[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C)c1 ZINC000337301461 376202450 /nfs/dbraw/zinc/20/24/50/376202450.db2.gz PTMNJPHCESSHDU-CZUORRHYSA-N 2 2 255.365 3.133 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000131415114 371105898 /nfs/dbraw/zinc/10/58/98/371105898.db2.gz DQIVUACJIXKRST-GFCCVEGCSA-N 2 2 269.820 3.118 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000133159331 371231446 /nfs/dbraw/zinc/23/14/46/371231446.db2.gz RVYCOOJVXPXBLD-LLVKDONJSA-N 2 2 289.766 3.461 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@@H]2CCc2ccccc2)c[nH+]1 ZINC000133755292 371277743 /nfs/dbraw/zinc/27/77/43/371277743.db2.gz ZECFLNLEQQUVRW-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@@H]2CCc2ccccc2)c[nH+]1 ZINC000133755292 371277747 /nfs/dbraw/zinc/27/77/47/371277747.db2.gz ZECFLNLEQQUVRW-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000134114612 371305006 /nfs/dbraw/zinc/30/50/06/371305006.db2.gz GVHJAWGUWPQAOY-OAHLLOKOSA-N 2 2 275.440 3.214 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000145415125 371518311 /nfs/dbraw/zinc/51/83/11/371518311.db2.gz OCSOOLUZNBQVLV-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000145415125 371518317 /nfs/dbraw/zinc/51/83/17/371518317.db2.gz OCSOOLUZNBQVLV-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+](C)C)CC1 ZINC000421860232 371683863 /nfs/dbraw/zinc/68/38/63/371683863.db2.gz TUFYMWMOVADFHD-NSHDSACASA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)F)c2ccccc2)CC[N@@H+]1C ZINC000421893700 371700678 /nfs/dbraw/zinc/70/06/78/371700678.db2.gz ZURQVXCEESJGGK-SNPRPXQTSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)F)c2ccccc2)CC[N@H+]1C ZINC000421893700 371700683 /nfs/dbraw/zinc/70/06/83/371700683.db2.gz ZURQVXCEESJGGK-SNPRPXQTSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422563435 371752672 /nfs/dbraw/zinc/75/26/72/371752672.db2.gz SWANIMXWWGAKPQ-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422563435 371752684 /nfs/dbraw/zinc/75/26/84/371752684.db2.gz SWANIMXWWGAKPQ-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564658 371752841 /nfs/dbraw/zinc/75/28/41/371752841.db2.gz WOUXEMHXGACZDX-UHFFFAOYSA-N 2 2 278.827 3.230 20 0 CGADLP Fc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422709598 371761632 /nfs/dbraw/zinc/76/16/32/371761632.db2.gz ZKIMVAQZMFXWFV-ROUUACIJSA-N 2 2 284.378 3.061 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422729432 371770614 /nfs/dbraw/zinc/77/06/14/371770614.db2.gz IASKTIORMKAEPZ-IAGOWNOFSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422748590 371782865 /nfs/dbraw/zinc/78/28/65/371782865.db2.gz VFINKHYJHXSLPX-HLLBOEOZSA-N 2 2 282.472 3.092 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422752637 371785175 /nfs/dbraw/zinc/78/51/75/371785175.db2.gz CUCVJCKSZAQCLI-IKGGRYGDSA-N 3 2 289.467 3.087 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCSC(C)C ZINC000289821635 371833124 /nfs/dbraw/zinc/83/31/24/371833124.db2.gz ODTIZRDIIRXQME-UHFFFAOYSA-N 2 2 252.427 3.054 20 0 CGADLP CCC(CC)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153882853 371796332 /nfs/dbraw/zinc/79/63/32/371796332.db2.gz BXDDMFVXBSETCU-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(CC)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000153882853 371796340 /nfs/dbraw/zinc/79/63/40/371796340.db2.gz BXDDMFVXBSETCU-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422812946 371824488 /nfs/dbraw/zinc/82/44/88/371824488.db2.gz YNFPTYJNHQETFS-SUMWQHHRSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000154604087 371860959 /nfs/dbraw/zinc/86/09/59/371860959.db2.gz TYQVRQGXONKJJS-GRDNDAEWSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000154604087 371860965 /nfs/dbraw/zinc/86/09/65/371860965.db2.gz TYQVRQGXONKJJS-GRDNDAEWSA-N 2 2 258.409 3.309 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000289952154 371861696 /nfs/dbraw/zinc/86/16/96/371861696.db2.gz AXJJFMRLHRNVCS-INIZCTEOSA-N 2 2 290.451 3.101 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1c[nH+]ccc1N ZINC000422912935 371866069 /nfs/dbraw/zinc/86/60/69/371866069.db2.gz OHUGZTAABGHDCL-ZDUSSCGKSA-N 2 2 297.402 3.276 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1OC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422914456 371866203 /nfs/dbraw/zinc/86/62/03/371866203.db2.gz UHCPVXHVNKLKLU-IRXDYDNUSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422933519 371877617 /nfs/dbraw/zinc/87/76/17/371877617.db2.gz DQXQTABVFSUOIV-SWLSCSKDSA-N 2 2 278.827 3.449 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000422946947 371886950 /nfs/dbraw/zinc/88/69/50/371886950.db2.gz XJJNPELYEYEVHV-JKSUJKDBSA-N 2 2 286.350 3.069 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])[NH+](C)C ZINC000423058937 371939740 /nfs/dbraw/zinc/93/97/40/371939740.db2.gz KTFANBHDQWOQHU-NUJGCVRESA-N 3 2 291.483 3.093 20 0 CGADLP c1ccc(CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422951340 371889080 /nfs/dbraw/zinc/88/90/80/371889080.db2.gz YDWGVAMDNRJECX-RBUKOAKNSA-N 2 2 280.415 3.312 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422954273 371890307 /nfs/dbraw/zinc/89/03/07/371890307.db2.gz HTRKYNGZWKEQLH-OIISXLGYSA-N 2 2 288.435 3.124 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C1C[NH2+]C1 ZINC000422960011 371892613 /nfs/dbraw/zinc/89/26/13/371892613.db2.gz VEBCQPFUFBNANT-NEPJUHHUSA-N 2 2 287.432 3.069 20 0 CGADLP COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423016856 371916735 /nfs/dbraw/zinc/91/67/35/371916735.db2.gz NLJNHUKLRGAZTK-DLBZAZTESA-N 2 2 286.350 3.069 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccco2)cc1 ZINC000423171335 372002064 /nfs/dbraw/zinc/00/20/64/372002064.db2.gz ZVFNEVZJCNHSKO-DCGLDWPTSA-N 2 2 288.391 3.093 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423171039 372002109 /nfs/dbraw/zinc/00/21/09/372002109.db2.gz NGCICZQMYBIPSL-GZZJDILISA-N 2 2 282.790 3.065 20 0 CGADLP COc1ccc([C@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290411524 371985050 /nfs/dbraw/zinc/98/50/50/371985050.db2.gz KBVWFBVBHOIMSP-OAHLLOKOSA-N 2 2 287.407 3.017 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290411524 371985055 /nfs/dbraw/zinc/98/50/55/371985055.db2.gz KBVWFBVBHOIMSP-OAHLLOKOSA-N 2 2 287.407 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000423150495 371993129 /nfs/dbraw/zinc/99/31/29/371993129.db2.gz ZFVQNAWHCJXNAL-AHIWAGSCSA-N 2 2 258.409 3.355 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423197460 372020966 /nfs/dbraw/zinc/02/09/66/372020966.db2.gz ZNASQZUMTZXHJD-RTBURBONSA-N 2 2 298.405 3.451 20 0 CGADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423205000 372029121 /nfs/dbraw/zinc/02/91/21/372029121.db2.gz BGEIRQWHUCYBLD-LSDHHAIUSA-N 2 2 264.800 3.133 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(OC)c1 ZINC000423183120 372011542 /nfs/dbraw/zinc/01/15/42/372011542.db2.gz REKMYGFKVCOKMX-ZDUSSCGKSA-N 2 2 292.423 3.016 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423505607 372070671 /nfs/dbraw/zinc/07/06/71/372070671.db2.gz OOPKTUHFACCYOQ-SUMWQHHRSA-N 2 2 292.492 3.370 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423550955 372072095 /nfs/dbraw/zinc/07/20/95/372072095.db2.gz IUYCIMQYMFGZFT-QWHCGFSZSA-N 2 2 264.438 3.201 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(Cl)c1 ZINC000424258353 372080594 /nfs/dbraw/zinc/08/05/94/372080594.db2.gz LTNQZNYZBSLDIP-LLVKDONJSA-N 2 2 282.815 3.093 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[NH+]3[C@@H](C)CCC[C@@H]3C)C[C@H]2C1 ZINC000424312438 372082301 /nfs/dbraw/zinc/08/23/01/372082301.db2.gz MLCLHNBNVWXHHF-ZCVDQKGDSA-N 2 2 294.483 3.043 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427859232 372176967 /nfs/dbraw/zinc/17/69/67/372176967.db2.gz VOILQTUVWBOUTA-RDJZCZTQSA-N 2 2 285.366 3.078 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040672978 541870266 /nfs/dbraw/zinc/87/02/66/541870266.db2.gz XSWAMJUXJYAKAQ-IAGOWNOFSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040672978 541870270 /nfs/dbraw/zinc/87/02/70/541870270.db2.gz XSWAMJUXJYAKAQ-IAGOWNOFSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@@H]1C[NH+](C2CCC2)CC[N@@H+](CCC(C)(C)C)C1 ZINC000429387629 372359895 /nfs/dbraw/zinc/35/98/95/372359895.db2.gz ZVKSFYZKJFBXDB-AWEZNQCLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H]1C[NH+](C2CCC2)CC[N@H+](CCC(C)(C)C)C1 ZINC000429387629 372359899 /nfs/dbraw/zinc/35/98/99/372359899.db2.gz ZVKSFYZKJFBXDB-AWEZNQCLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H]1C[NH+](CCC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC000429387629 372359903 /nfs/dbraw/zinc/35/99/03/372359903.db2.gz ZVKSFYZKJFBXDB-AWEZNQCLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H]1C[NH+](CCC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC000429387629 372359905 /nfs/dbraw/zinc/35/99/05/372359905.db2.gz ZVKSFYZKJFBXDB-AWEZNQCLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@@H+]1C ZINC000344355445 217165699 /nfs/dbraw/zinc/16/56/99/217165699.db2.gz LNQHYHNASXVXJU-BEFAXECRSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@H+]1C ZINC000344355445 217165701 /nfs/dbraw/zinc/16/57/01/217165701.db2.gz LNQHYHNASXVXJU-BEFAXECRSA-N 2 2 295.430 3.321 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469541 217203098 /nfs/dbraw/zinc/20/30/98/217203098.db2.gz GNRKZLIYDINDHI-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469541 217203100 /nfs/dbraw/zinc/20/31/00/217203100.db2.gz GNRKZLIYDINDHI-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP Cc1occc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643650 372647663 /nfs/dbraw/zinc/64/76/63/372647663.db2.gz BSOXDFPYXHMJLE-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP Cc1occc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643650 372647667 /nfs/dbraw/zinc/64/76/67/372647667.db2.gz BSOXDFPYXHMJLE-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474623353 284340100 /nfs/dbraw/zinc/34/01/00/284340100.db2.gz OZALHPZPYVKTSZ-QWHCGFSZSA-N 2 2 268.832 3.373 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474623353 284340101 /nfs/dbraw/zinc/34/01/01/284340101.db2.gz OZALHPZPYVKTSZ-QWHCGFSZSA-N 2 2 268.832 3.373 20 0 CGADLP COCc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344547086 217227916 /nfs/dbraw/zinc/22/79/16/217227916.db2.gz LEHLRDVFWXGBAT-QGZVFWFLSA-N 2 2 299.418 3.005 20 0 CGADLP CC[NH+](CC)CCSCc1[nH+]ccn1CC(F)(F)F ZINC000434811227 372714574 /nfs/dbraw/zinc/71/45/74/372714574.db2.gz XXFXWCLOGQBFGW-UHFFFAOYSA-N 2 2 295.374 3.020 20 0 CGADLP C[NH2+]CCC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000435882530 372824697 /nfs/dbraw/zinc/82/46/97/372824697.db2.gz ZAIVBARDHPNNFG-UHFFFAOYSA-N 2 2 282.378 3.319 20 0 CGADLP C[NH2+]CCC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000435882530 372824702 /nfs/dbraw/zinc/82/47/02/372824702.db2.gz ZAIVBARDHPNNFG-UHFFFAOYSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000295571977 372831443 /nfs/dbraw/zinc/83/14/43/372831443.db2.gz AQZGKHPLQPWOJW-DZGCQCFKSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000295571977 372831450 /nfs/dbraw/zinc/83/14/50/372831450.db2.gz AQZGKHPLQPWOJW-DZGCQCFKSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000438206741 372912206 /nfs/dbraw/zinc/91/22/06/372912206.db2.gz CZATYPWCTHJFPS-HOTGVXAUSA-N 2 2 292.442 3.467 20 0 CGADLP c1cc2[nH+]ccc(NC3CC[NH+](C4CCC4)CC3)c2cn1 ZINC000296053093 373005577 /nfs/dbraw/zinc/00/55/77/373005577.db2.gz QQEYBYZUGWSXKV-UHFFFAOYSA-N 2 2 282.391 3.059 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780992 217309389 /nfs/dbraw/zinc/30/93/89/217309389.db2.gz ZSNKIHBLRWASCN-HIFRSBDPSA-N 2 2 278.465 3.147 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780992 217309392 /nfs/dbraw/zinc/30/93/92/217309392.db2.gz ZSNKIHBLRWASCN-HIFRSBDPSA-N 2 2 278.465 3.147 20 0 CGADLP CC(F)(F)CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000296084267 373016948 /nfs/dbraw/zinc/01/69/48/373016948.db2.gz QSPOFRNMCRGYLD-UHFFFAOYSA-N 2 2 297.393 3.071 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000344856850 217334404 /nfs/dbraw/zinc/33/44/04/217334404.db2.gz ZVAXDRUCRQCOJT-GOEBONIOSA-N 2 2 295.496 3.442 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000296558035 373176124 /nfs/dbraw/zinc/17/61/24/373176124.db2.gz UZISZAVCOIACGW-HNNXBMFYSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000297401700 373268777 /nfs/dbraw/zinc/26/87/77/373268777.db2.gz FVXDGKSWTUPJTI-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000297401700 373268786 /nfs/dbraw/zinc/26/87/86/373268786.db2.gz FVXDGKSWTUPJTI-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)c[nH+]1 ZINC000298432979 373327263 /nfs/dbraw/zinc/32/72/63/373327263.db2.gz WXTOYSIAXTZYJI-INIZCTEOSA-N 2 2 281.403 3.377 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446743657 373357710 /nfs/dbraw/zinc/35/77/10/373357710.db2.gz GGKZXJFCHUGVRZ-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446743657 373357716 /nfs/dbraw/zinc/35/77/16/373357716.db2.gz GGKZXJFCHUGVRZ-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000446760002 373360264 /nfs/dbraw/zinc/36/02/64/373360264.db2.gz DRUZVTXYQCEQGH-INMHGKMJSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000446760002 373360268 /nfs/dbraw/zinc/36/02/68/373360268.db2.gz DRUZVTXYQCEQGH-INMHGKMJSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000446977245 373389992 /nfs/dbraw/zinc/38/99/92/373389992.db2.gz MKXWPBHBEYGZBT-RHSMWYFYSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000446977245 373389997 /nfs/dbraw/zinc/38/99/97/373389997.db2.gz MKXWPBHBEYGZBT-RHSMWYFYSA-N 2 2 258.409 3.354 20 0 CGADLP Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)nc(C)[nH+]1 ZINC000298720627 373391328 /nfs/dbraw/zinc/39/13/28/373391328.db2.gz OOVHFLRXLYOZAN-UHFFFAOYSA-N 2 2 297.406 3.091 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@H](c2ccco2)C1 ZINC000299196709 373480501 /nfs/dbraw/zinc/48/05/01/373480501.db2.gz FFIMRQLACAUDPQ-JSGCOSHPSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H](c2ccco2)C1 ZINC000299196709 373480506 /nfs/dbraw/zinc/48/05/06/373480506.db2.gz FFIMRQLACAUDPQ-JSGCOSHPSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353626581 220202502 /nfs/dbraw/zinc/20/25/02/220202502.db2.gz UIZVVERXQIXFGT-OCCSQVGLSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353626581 220202506 /nfs/dbraw/zinc/20/25/06/220202506.db2.gz UIZVVERXQIXFGT-OCCSQVGLSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000175774607 373518513 /nfs/dbraw/zinc/51/85/13/373518513.db2.gz YMOXLRQPBGBQPY-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448033763 373541055 /nfs/dbraw/zinc/54/10/55/373541055.db2.gz ZDAXGFFIDBRRPB-NRXISQOPSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448033763 373541060 /nfs/dbraw/zinc/54/10/60/373541060.db2.gz ZDAXGFFIDBRRPB-NRXISQOPSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301057893 373642205 /nfs/dbraw/zinc/64/22/05/373642205.db2.gz IYUXBKHCAQVPSZ-CYBMUJFWSA-N 2 2 288.395 3.216 20 0 CGADLP CSCC1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449077494 373659500 /nfs/dbraw/zinc/65/95/00/373659500.db2.gz JOYKNABQEDVXEZ-FHERZECASA-N 2 2 284.513 3.372 20 0 CGADLP CSCC1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449077494 373659509 /nfs/dbraw/zinc/65/95/09/373659509.db2.gz JOYKNABQEDVXEZ-FHERZECASA-N 2 2 284.513 3.372 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C)CCC2 ZINC000449166818 373665048 /nfs/dbraw/zinc/66/50/48/373665048.db2.gz GHOXKFRHHDLOAX-LUYZLQTOSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000449252693 373674911 /nfs/dbraw/zinc/67/49/11/373674911.db2.gz RJSLCKZNRNXIND-RHSMWYFYSA-N 2 2 272.392 3.103 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449336161 373681335 /nfs/dbraw/zinc/68/13/35/373681335.db2.gz MWVKAGSSGQRPFE-ZIAGYGMSSA-N 2 2 261.413 3.216 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449336161 373681344 /nfs/dbraw/zinc/68/13/44/373681344.db2.gz MWVKAGSSGQRPFE-ZIAGYGMSSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178330097 373766785 /nfs/dbraw/zinc/76/67/85/373766785.db2.gz WOULYIVNAJYYJC-HUUCEWRRSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178330097 373766791 /nfs/dbraw/zinc/76/67/91/373766791.db2.gz WOULYIVNAJYYJC-HUUCEWRRSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc[nH+]1 ZINC000302221085 373830131 /nfs/dbraw/zinc/83/01/31/373830131.db2.gz NNLJVBWQALODOQ-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178651159 373801610 /nfs/dbraw/zinc/80/16/10/373801610.db2.gz JPHUTXICMACFSP-XJKSGUPXSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178651159 373801615 /nfs/dbraw/zinc/80/16/15/373801615.db2.gz JPHUTXICMACFSP-XJKSGUPXSA-N 2 2 258.409 3.093 20 0 CGADLP Cc1cc(C)c(C[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000449734316 373860191 /nfs/dbraw/zinc/86/01/91/373860191.db2.gz MEUXAEKTTHIMAZ-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[N@H+](C)C3)c(C)c[nH+]c12 ZINC000302616249 373907636 /nfs/dbraw/zinc/90/76/36/373907636.db2.gz FZZZKVZOIKAKIT-CQSZACIVSA-N 2 2 299.418 3.306 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[N@@H+](C)C3)c(C)c[nH+]c12 ZINC000302616249 373907648 /nfs/dbraw/zinc/90/76/48/373907648.db2.gz FZZZKVZOIKAKIT-CQSZACIVSA-N 2 2 299.418 3.306 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000181282284 374102765 /nfs/dbraw/zinc/10/27/65/374102765.db2.gz CPCFCWNCTRHCCT-VYDXJSESSA-N 2 2 289.467 3.132 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000181282284 374102770 /nfs/dbraw/zinc/10/27/70/374102770.db2.gz CPCFCWNCTRHCCT-VYDXJSESSA-N 2 2 289.467 3.132 20 0 CGADLP Cc1cncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000181835444 374179560 /nfs/dbraw/zinc/17/95/60/374179560.db2.gz AKLMJZJOUSAXPY-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000309681597 374192916 /nfs/dbraw/zinc/19/29/16/374192916.db2.gz ZVLNROUFMBLWEP-IAGOWNOFSA-N 2 2 272.436 3.453 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000309681597 374192923 /nfs/dbraw/zinc/19/29/23/374192923.db2.gz ZVLNROUFMBLWEP-IAGOWNOFSA-N 2 2 272.436 3.453 20 0 CGADLP Cn1c(CCC[NH2+]Cc2ccc(O)cc2)[nH+]c2ccccc21 ZINC000076262651 541911230 /nfs/dbraw/zinc/91/12/30/541911230.db2.gz WRAADXUPOQUEDW-UHFFFAOYSA-N 2 2 295.386 3.001 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000182589092 374294129 /nfs/dbraw/zinc/29/41/29/374294129.db2.gz CAVVBSGHDJAEGQ-AWEZNQCLSA-N 2 2 278.399 3.440 20 0 CGADLP Clc1sccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000312547204 374281230 /nfs/dbraw/zinc/28/12/30/374281230.db2.gz SGVLOQJHOGARRJ-UHFFFAOYSA-N 2 2 272.845 3.367 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312552706 374282224 /nfs/dbraw/zinc/28/22/24/374282224.db2.gz ZEAKCXYBIVKGTP-NSHDSACASA-N 2 2 272.845 3.221 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312552706 374282235 /nfs/dbraw/zinc/28/22/35/374282235.db2.gz ZEAKCXYBIVKGTP-NSHDSACASA-N 2 2 272.845 3.221 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468667 374364655 /nfs/dbraw/zinc/36/46/55/374364655.db2.gz KIGJBCKSZCHUEH-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468667 374364665 /nfs/dbraw/zinc/36/46/65/374364665.db2.gz KIGJBCKSZCHUEH-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000183187052 374381620 /nfs/dbraw/zinc/38/16/20/374381620.db2.gz OCRBQCZWUALFDO-UHFFFAOYSA-N 2 2 251.418 3.277 20 0 CGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000183187052 374381626 /nfs/dbraw/zinc/38/16/26/374381626.db2.gz OCRBQCZWUALFDO-UHFFFAOYSA-N 2 2 251.418 3.277 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccsc1 ZINC000453275538 374383734 /nfs/dbraw/zinc/38/37/34/374383734.db2.gz WXDMECXWTGSXFW-HZPDHXFCSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccsc1 ZINC000453275538 374383740 /nfs/dbraw/zinc/38/37/40/374383740.db2.gz WXDMECXWTGSXFW-HZPDHXFCSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000090847572 541965432 /nfs/dbraw/zinc/96/54/32/541965432.db2.gz NOOGIULROYVGDS-LLVKDONJSA-N 2 2 261.394 3.048 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCCCC1 ZINC000185229544 374614229 /nfs/dbraw/zinc/61/42/29/374614229.db2.gz DQMCSKWUXYWPPY-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000185229544 374614235 /nfs/dbraw/zinc/61/42/35/374614235.db2.gz DQMCSKWUXYWPPY-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1O ZINC000334150925 374650018 /nfs/dbraw/zinc/65/00/18/374650018.db2.gz JRJKTIFRJKWBOI-OAHLLOKOSA-N 2 2 285.391 3.112 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(C)c1O ZINC000334150925 374650027 /nfs/dbraw/zinc/65/00/27/374650027.db2.gz JRJKTIFRJKWBOI-OAHLLOKOSA-N 2 2 285.391 3.112 20 0 CGADLP c1cn(C2CC[NH+](CC34CCC(CC3)C4)CC2)c[nH+]1 ZINC000334409691 374725786 /nfs/dbraw/zinc/72/57/86/374725786.db2.gz JYFDRKURQXVRAB-UHFFFAOYSA-N 2 2 259.397 3.100 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186253700 374820328 /nfs/dbraw/zinc/82/03/28/374820328.db2.gz NQNPZNHWESMLEW-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354168 296223082 /nfs/dbraw/zinc/22/30/82/296223082.db2.gz BOGLNUMSRWRLNA-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354168 296223083 /nfs/dbraw/zinc/22/30/83/296223083.db2.gz BOGLNUMSRWRLNA-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP Cc1nc(NC(C)(C)CC[NH+]2CCCCCC2)cc[nH+]1 ZINC000185988464 374781199 /nfs/dbraw/zinc/78/11/99/374781199.db2.gz HKXGKJCBIZWEMU-UHFFFAOYSA-N 2 2 276.428 3.242 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccccc2C2CC2)c[nH+]1 ZINC000094357771 541986673 /nfs/dbraw/zinc/98/66/73/541986673.db2.gz GVAGRRCLCPRKPQ-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000187712620 375080086 /nfs/dbraw/zinc/08/00/86/375080086.db2.gz MDUYNSCQRCTGNJ-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000187584408 375048193 /nfs/dbraw/zinc/04/81/93/375048193.db2.gz BGOIHCAQOBSQTI-IAQYHMDHSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000187584408 375048200 /nfs/dbraw/zinc/04/82/00/375048200.db2.gz BGOIHCAQOBSQTI-IAQYHMDHSA-N 2 2 284.806 3.299 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[N@H+](C)C1CC1 ZINC000482561258 375171050 /nfs/dbraw/zinc/17/10/50/375171050.db2.gz ZROLJYIQLQMAAJ-CABCVRRESA-N 2 2 274.452 3.425 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[N@@H+](C)C1CC1 ZINC000482561258 375171055 /nfs/dbraw/zinc/17/10/55/375171055.db2.gz ZROLJYIQLQMAAJ-CABCVRRESA-N 2 2 274.452 3.425 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000188205106 375175317 /nfs/dbraw/zinc/17/53/17/375175317.db2.gz XMSMYBOBFLSGCW-HZPDHXFCSA-N 2 2 260.425 3.458 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000188205106 375175324 /nfs/dbraw/zinc/17/53/24/375175324.db2.gz XMSMYBOBFLSGCW-HZPDHXFCSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000335228538 375246062 /nfs/dbraw/zinc/24/60/62/375246062.db2.gz DVZJKMMDZPRDPB-SNVBAGLBSA-N 2 2 293.798 3.008 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335416719 375275520 /nfs/dbraw/zinc/27/55/20/375275520.db2.gz XVJPBMPYLXDYQX-UHFFFAOYSA-N 2 2 282.387 3.275 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000335691462 375349639 /nfs/dbraw/zinc/34/96/39/375349639.db2.gz NSNNSSNNPYXUAU-DOMZBBRYSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000335691462 375349644 /nfs/dbraw/zinc/34/96/44/375349644.db2.gz NSNNSSNNPYXUAU-DOMZBBRYSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000190809080 375541224 /nfs/dbraw/zinc/54/12/24/375541224.db2.gz AOOAHJNZGLQCGB-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000493734659 375479539 /nfs/dbraw/zinc/47/95/39/375479539.db2.gz IQJLQLNMOQXOII-GDZNZVCISA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000493734659 375479542 /nfs/dbraw/zinc/47/95/42/375479542.db2.gz IQJLQLNMOQXOII-GDZNZVCISA-N 2 2 276.399 3.267 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000120091314 542009708 /nfs/dbraw/zinc/00/97/08/542009708.db2.gz XCMFZYJNGGZIDA-HNNXBMFYSA-N 2 2 293.480 3.367 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336036034 375635833 /nfs/dbraw/zinc/63/58/33/375635833.db2.gz HHCUMOVEKGCGKR-KBXCAEBGSA-N 2 2 297.402 3.088 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336036034 375635841 /nfs/dbraw/zinc/63/58/41/375635841.db2.gz HHCUMOVEKGCGKR-KBXCAEBGSA-N 2 2 297.402 3.088 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000191580053 375642543 /nfs/dbraw/zinc/64/25/43/375642543.db2.gz MSHDSJMOLHBRCB-UHFFFAOYSA-N 2 2 283.485 3.317 20 0 CGADLP C[C@H]1CCSCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191816629 375667180 /nfs/dbraw/zinc/66/71/80/375667180.db2.gz VVPXCTLNOJXNBW-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@H]1CCSCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191816629 375667188 /nfs/dbraw/zinc/66/71/88/375667188.db2.gz VVPXCTLNOJXNBW-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128243528 542051108 /nfs/dbraw/zinc/05/11/08/542051108.db2.gz KWFVQSDTYJNQOV-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000128243528 542051114 /nfs/dbraw/zinc/05/11/14/542051114.db2.gz KWFVQSDTYJNQOV-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CCCc3occc32)c[nH+]1 ZINC000192654592 375776250 /nfs/dbraw/zinc/77/62/50/375776250.db2.gz IHDQJOKPOLXRAC-OAHLLOKOSA-N 2 2 294.358 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993481 542055422 /nfs/dbraw/zinc/05/54/22/542055422.db2.gz MMVSAQILCBHWIB-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993481 542055425 /nfs/dbraw/zinc/05/54/25/542055425.db2.gz MMVSAQILCBHWIB-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000336396300 375788702 /nfs/dbraw/zinc/78/87/02/375788702.db2.gz QCPQRGOAZJFMFY-GXFFZTMASA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1 ZINC000336396300 375788706 /nfs/dbraw/zinc/78/87/06/375788706.db2.gz QCPQRGOAZJFMFY-GXFFZTMASA-N 2 2 275.783 3.271 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130567142 542064614 /nfs/dbraw/zinc/06/46/14/542064614.db2.gz QVWXSKHZCVTYHQ-SFHVURJKSA-N 2 2 291.398 3.462 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130629377 542064755 /nfs/dbraw/zinc/06/47/55/542064755.db2.gz PCUTWNNDAPEOAG-QGZVFWFLSA-N 2 2 295.361 3.293 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)c2ccccc2)cc1 ZINC000193308151 375857483 /nfs/dbraw/zinc/85/74/83/375857483.db2.gz SKNGMJKXOBKWHE-IBGZPJMESA-N 2 2 298.430 3.326 20 0 CGADLP CSC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CCC1 ZINC000193650693 375903415 /nfs/dbraw/zinc/90/34/15/375903415.db2.gz HVIALVJKBJLFIN-UHFFFAOYSA-N 2 2 275.421 3.018 20 0 CGADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000193372620 375869631 /nfs/dbraw/zinc/86/96/31/375869631.db2.gz OJBVEZYOBRWHEQ-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP c1csc([C@@H](C[NH2+]C[C@H]2CCC=CO2)[NH+]2CCCC2)c1 ZINC000194178420 375968537 /nfs/dbraw/zinc/96/85/37/375968537.db2.gz JBCRXXQHAFHXHS-HUUCEWRRSA-N 2 2 292.448 3.167 20 0 CGADLP C[C@@H]([NH2+]CCCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336818434 375974384 /nfs/dbraw/zinc/97/43/84/375974384.db2.gz VNMWPORHYQGMDY-CYBMUJFWSA-N 2 2 261.344 3.273 20 0 CGADLP Clc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000194410012 376001007 /nfs/dbraw/zinc/00/10/07/376001007.db2.gz ZZRYRBYBSMRKRK-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000194410012 376001012 /nfs/dbraw/zinc/00/10/12/376001012.db2.gz ZZRYRBYBSMRKRK-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1[nH+]ccn1CCCCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000336849663 376011682 /nfs/dbraw/zinc/01/16/82/376011682.db2.gz SLRDQAWOLXRZGL-KGLIPLIRSA-N 2 2 286.423 3.239 20 0 CGADLP c1nc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)oc1C1CC1 ZINC000536372604 376087327 /nfs/dbraw/zinc/08/73/27/376087327.db2.gz YZSAQUGKALRHNJ-UHFFFAOYSA-N 2 2 298.390 3.024 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000535800362 376062536 /nfs/dbraw/zinc/06/25/36/376062536.db2.gz IFWWBTHIUCILJK-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000535800362 376062545 /nfs/dbraw/zinc/06/25/45/376062545.db2.gz IFWWBTHIUCILJK-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1C(F)(F)F ZINC000536875877 376138957 /nfs/dbraw/zinc/13/89/57/376138957.db2.gz JHCUNVRDLXZWJF-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1C(F)(F)F ZINC000536875877 376138961 /nfs/dbraw/zinc/13/89/61/376138961.db2.gz JHCUNVRDLXZWJF-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000221157879 376212803 /nfs/dbraw/zinc/21/28/03/376212803.db2.gz AIVNCQUEJCWCMW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000221157879 376212809 /nfs/dbraw/zinc/21/28/09/376212809.db2.gz AIVNCQUEJCWCMW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221910210 376222930 /nfs/dbraw/zinc/22/29/30/376222930.db2.gz RKJNHLMKLFORSU-CQSZACIVSA-N 2 2 294.439 3.085 20 0 CGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221910210 376222938 /nfs/dbraw/zinc/22/29/38/376222938.db2.gz RKJNHLMKLFORSU-CQSZACIVSA-N 2 2 294.439 3.085 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000538567378 376249307 /nfs/dbraw/zinc/24/93/07/376249307.db2.gz XVKUSYQDHMGFEN-NVXWUHKLSA-N 2 2 290.451 3.151 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000538567378 376249311 /nfs/dbraw/zinc/24/93/11/376249311.db2.gz XVKUSYQDHMGFEN-NVXWUHKLSA-N 2 2 290.451 3.151 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)C2 ZINC000538709079 376257632 /nfs/dbraw/zinc/25/76/32/376257632.db2.gz LQUBLZDCLNDYTQ-CRAIPNDOSA-N 2 2 283.419 3.495 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000539075035 376292222 /nfs/dbraw/zinc/29/22/22/376292222.db2.gz QFUBUXNSQOLLJY-CRAIPNDOSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000539075035 376292228 /nfs/dbraw/zinc/29/22/28/376292228.db2.gz QFUBUXNSQOLLJY-CRAIPNDOSA-N 2 2 287.451 3.072 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC000539217397 376298833 /nfs/dbraw/zinc/29/88/33/376298833.db2.gz JZXKUHMJQZZBGL-MAUKXSAKSA-N 2 2 290.451 3.324 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC000539217397 376298837 /nfs/dbraw/zinc/29/88/37/376298837.db2.gz JZXKUHMJQZZBGL-MAUKXSAKSA-N 2 2 290.451 3.324 20 0 CGADLP C[C@@H](C[NH2+]Cc1ncc(Cl)s1)C[NH+]1CCCCC1 ZINC000225317145 376303033 /nfs/dbraw/zinc/30/30/33/376303033.db2.gz DEWAOTYNEYEXGR-NSHDSACASA-N 2 2 287.860 3.008 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H](C)C2 ZINC000540911847 376404795 /nfs/dbraw/zinc/40/47/95/376404795.db2.gz PLZNLVNFIXPKSH-RVKKMQEKSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H](C)C2 ZINC000540911847 376404803 /nfs/dbraw/zinc/40/48/03/376404803.db2.gz PLZNLVNFIXPKSH-RVKKMQEKSA-N 2 2 272.436 3.160 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226504848 376361555 /nfs/dbraw/zinc/36/15/55/376361555.db2.gz HLAVRBHMTHEQFX-QZTJIDSGSA-N 2 2 270.420 3.349 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226504848 376361557 /nfs/dbraw/zinc/36/15/57/376361557.db2.gz HLAVRBHMTHEQFX-QZTJIDSGSA-N 2 2 270.420 3.349 20 0 CGADLP CC(C)CCC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000338438269 376375992 /nfs/dbraw/zinc/37/59/92/376375992.db2.gz USVJGGYSFHBLQA-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP CCC(CC)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000540506931 376378113 /nfs/dbraw/zinc/37/81/13/376378113.db2.gz CKANSHUSGXNXFW-UHFFFAOYSA-N 2 2 257.381 3.487 20 0 CGADLP CCC(CC)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000540506931 376378118 /nfs/dbraw/zinc/37/81/18/376378118.db2.gz CKANSHUSGXNXFW-UHFFFAOYSA-N 2 2 257.381 3.487 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586140 376441223 /nfs/dbraw/zinc/44/12/23/376441223.db2.gz YZTOJUDKYVFENE-WMLDXEAASA-N 2 2 294.389 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586140 376441230 /nfs/dbraw/zinc/44/12/30/376441230.db2.gz YZTOJUDKYVFENE-WMLDXEAASA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586140 376441233 /nfs/dbraw/zinc/44/12/33/376441233.db2.gz YZTOJUDKYVFENE-WMLDXEAASA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586140 376441237 /nfs/dbraw/zinc/44/12/37/376441237.db2.gz YZTOJUDKYVFENE-WMLDXEAASA-N 2 2 294.389 3.181 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338775602 376526484 /nfs/dbraw/zinc/52/64/84/376526484.db2.gz GGQRLNWDDKWKNB-QJESEZNXSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338775602 376526495 /nfs/dbraw/zinc/52/64/95/376526495.db2.gz GGQRLNWDDKWKNB-QJESEZNXSA-N 2 2 272.436 3.251 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000338781979 376533731 /nfs/dbraw/zinc/53/37/31/376533731.db2.gz BTNYJBYDUIGDSC-OKILXGFUSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000338781979 376533732 /nfs/dbraw/zinc/53/37/32/376533732.db2.gz BTNYJBYDUIGDSC-OKILXGFUSA-N 2 2 290.455 3.252 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000542914281 376589330 /nfs/dbraw/zinc/58/93/30/376589330.db2.gz DPXAUZJVLFGCHF-YLJYHZDGSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000542914281 376589342 /nfs/dbraw/zinc/58/93/42/376589342.db2.gz DPXAUZJVLFGCHF-YLJYHZDGSA-N 2 2 298.474 3.352 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000234037801 376610678 /nfs/dbraw/zinc/61/06/78/376610678.db2.gz VLDHRBKFAQHCJE-KBPBESRZSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000543995201 376691943 /nfs/dbraw/zinc/69/19/43/376691943.db2.gz YOSMDIAPFGMEPM-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000543995201 376691949 /nfs/dbraw/zinc/69/19/49/376691949.db2.gz YOSMDIAPFGMEPM-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC000543994513 376693349 /nfs/dbraw/zinc/69/33/49/376693349.db2.gz PZNUXYZFGUVPPW-ZLPCBKJTSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC000543994513 376693360 /nfs/dbraw/zinc/69/33/60/376693360.db2.gz PZNUXYZFGUVPPW-ZLPCBKJTSA-N 2 2 272.436 3.172 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156290743 542127816 /nfs/dbraw/zinc/12/78/16/542127816.db2.gz MPMJBYNPIUTQFI-JSGCOSHPSA-N 2 2 259.397 3.209 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646609 542135643 /nfs/dbraw/zinc/13/56/43/542135643.db2.gz APJQXZDQRSKDMF-SJLPKXTDSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646609 542135648 /nfs/dbraw/zinc/13/56/48/542135648.db2.gz APJQXZDQRSKDMF-SJLPKXTDSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@H](c1ccco1)[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000245581781 376860740 /nfs/dbraw/zinc/86/07/40/376860740.db2.gz CSUAXBKYBKBJMV-ZIAGYGMSSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000245581781 376860746 /nfs/dbraw/zinc/86/07/46/376860746.db2.gz CSUAXBKYBKBJMV-ZIAGYGMSSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000245581781 376860753 /nfs/dbraw/zinc/86/07/53/376860753.db2.gz CSUAXBKYBKBJMV-ZIAGYGMSSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000245581781 376860760 /nfs/dbraw/zinc/86/07/60/376860760.db2.gz CSUAXBKYBKBJMV-ZIAGYGMSSA-N 2 2 262.397 3.289 20 0 CGADLP CC1=CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000556816757 376885465 /nfs/dbraw/zinc/88/54/65/376885465.db2.gz OIOAJUBEOUGDBQ-INIZCTEOSA-N 2 2 294.508 3.436 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245710059 376887857 /nfs/dbraw/zinc/88/78/57/376887857.db2.gz CGNHUQDGQJUQLA-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245710059 376887863 /nfs/dbraw/zinc/88/78/63/376887863.db2.gz CGNHUQDGQJUQLA-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257738 376926582 /nfs/dbraw/zinc/92/65/82/376926582.db2.gz OOZPDARBBONNJY-HFBAOOFYSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257738 376926591 /nfs/dbraw/zinc/92/65/91/376926591.db2.gz OOZPDARBBONNJY-HFBAOOFYSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000340181359 376936885 /nfs/dbraw/zinc/93/68/85/376936885.db2.gz KEMDSERHZXNNGO-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000340181359 376936896 /nfs/dbraw/zinc/93/68/96/376936896.db2.gz KEMDSERHZXNNGO-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245969758 376947467 /nfs/dbraw/zinc/94/74/67/376947467.db2.gz ZNQGHDFVDVXVOU-VQHPVUNQSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000245969758 376947473 /nfs/dbraw/zinc/94/74/73/376947473.db2.gz ZNQGHDFVDVXVOU-VQHPVUNQSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000340245064 376962024 /nfs/dbraw/zinc/96/20/24/376962024.db2.gz NKCXCXSCSMPWEC-MSOLQXFVSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000340245064 376962032 /nfs/dbraw/zinc/96/20/32/376962032.db2.gz NKCXCXSCSMPWEC-MSOLQXFVSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340245064 376962035 /nfs/dbraw/zinc/96/20/35/376962035.db2.gz NKCXCXSCSMPWEC-MSOLQXFVSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000340245064 376962042 /nfs/dbraw/zinc/96/20/42/376962042.db2.gz NKCXCXSCSMPWEC-MSOLQXFVSA-N 2 2 296.499 3.122 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426082 377051440 /nfs/dbraw/zinc/05/14/40/377051440.db2.gz FBWJKPHUTCYGST-WBMJQRKESA-N 2 2 294.389 3.371 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426082 377051451 /nfs/dbraw/zinc/05/14/51/377051451.db2.gz FBWJKPHUTCYGST-WBMJQRKESA-N 2 2 294.389 3.371 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000558650738 377029295 /nfs/dbraw/zinc/02/92/95/377029295.db2.gz YWJQYHCUXSZUFF-PYBGIAKNSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000558650738 377029298 /nfs/dbraw/zinc/02/92/98/377029298.db2.gz YWJQYHCUXSZUFF-PYBGIAKNSA-N 2 2 252.446 3.275 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)ccn1 ZINC000340417373 377046559 /nfs/dbraw/zinc/04/65/59/377046559.db2.gz DIJJSJYAAGRTKY-KVWWFHCMSA-N 2 2 299.462 3.214 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000246179966 376983263 /nfs/dbraw/zinc/98/32/63/376983263.db2.gz WDURNTCWDJCFKQ-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000246179966 376983268 /nfs/dbraw/zinc/98/32/68/376983268.db2.gz WDURNTCWDJCFKQ-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000246323932 377010856 /nfs/dbraw/zinc/01/08/56/377010856.db2.gz HGRCQZOJPOYLFA-IRXDYDNUSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000246323932 377010864 /nfs/dbraw/zinc/01/08/64/377010864.db2.gz HGRCQZOJPOYLFA-IRXDYDNUSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000246323932 377010873 /nfs/dbraw/zinc/01/08/73/377010873.db2.gz HGRCQZOJPOYLFA-IRXDYDNUSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000246323932 377010880 /nfs/dbraw/zinc/01/08/80/377010880.db2.gz HGRCQZOJPOYLFA-IRXDYDNUSA-N 2 2 287.451 3.168 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340475521 377088106 /nfs/dbraw/zinc/08/81/06/377088106.db2.gz SEMGZHCITFJXNW-VNHYZAJKSA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340475521 377088112 /nfs/dbraw/zinc/08/81/12/377088112.db2.gz SEMGZHCITFJXNW-VNHYZAJKSA-N 2 2 279.428 3.002 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000560235574 377130184 /nfs/dbraw/zinc/13/01/84/377130184.db2.gz KCWRAQMOLWCZTQ-HRSCSKTISA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000560235574 377130195 /nfs/dbraw/zinc/13/01/95/377130195.db2.gz KCWRAQMOLWCZTQ-HRSCSKTISA-N 2 2 272.436 3.285 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000560583509 377177766 /nfs/dbraw/zinc/17/77/66/377177766.db2.gz ZPLYFEIXVPACKT-QXSJWSMHSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000560583509 377177771 /nfs/dbraw/zinc/17/77/71/377177771.db2.gz ZPLYFEIXVPACKT-QXSJWSMHSA-N 2 2 250.430 3.029 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000340678191 377211459 /nfs/dbraw/zinc/21/14/59/377211459.db2.gz HSRMYARUEIRZKM-WMLDXEAASA-N 2 2 276.424 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000340678191 377211463 /nfs/dbraw/zinc/21/14/63/377211463.db2.gz HSRMYARUEIRZKM-WMLDXEAASA-N 2 2 276.424 3.035 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000562042155 377268995 /nfs/dbraw/zinc/26/89/95/377268995.db2.gz VELYROQWOGIMRY-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000562042155 377268999 /nfs/dbraw/zinc/26/89/99/377268999.db2.gz VELYROQWOGIMRY-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100637 377278623 /nfs/dbraw/zinc/27/86/23/377278623.db2.gz UUIUSRUWRJAFLF-SXUGBLPRSA-N 2 2 299.462 3.462 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100637 377278627 /nfs/dbraw/zinc/27/86/27/377278627.db2.gz UUIUSRUWRJAFLF-SXUGBLPRSA-N 2 2 299.462 3.462 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248202115 377279669 /nfs/dbraw/zinc/27/96/69/377279669.db2.gz YZYMITNTKWBZJB-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248202115 377279679 /nfs/dbraw/zinc/27/96/79/377279679.db2.gz YZYMITNTKWBZJB-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248202115 377279684 /nfs/dbraw/zinc/27/96/84/377279684.db2.gz YZYMITNTKWBZJB-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248202115 377279688 /nfs/dbraw/zinc/27/96/88/377279688.db2.gz YZYMITNTKWBZJB-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562968951 377381212 /nfs/dbraw/zinc/38/12/12/377381212.db2.gz FTWGGGMXZLPGNG-ROUUACIJSA-N 2 2 288.410 3.088 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000563039373 377391317 /nfs/dbraw/zinc/39/13/17/377391317.db2.gz WJSUQYDXTAXYDA-CRAIPNDOSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000563039373 377391322 /nfs/dbraw/zinc/39/13/22/377391322.db2.gz WJSUQYDXTAXYDA-CRAIPNDOSA-N 2 2 295.430 3.464 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149921 377408291 /nfs/dbraw/zinc/40/82/91/377408291.db2.gz NTAYCMHDSLUMGT-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149921 377408295 /nfs/dbraw/zinc/40/82/95/377408295.db2.gz NTAYCMHDSLUMGT-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000248830197 377408464 /nfs/dbraw/zinc/40/84/64/377408464.db2.gz HDPVWWCDRFKQFK-LBTNJELSSA-N 2 2 285.435 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000248830197 377408471 /nfs/dbraw/zinc/40/84/71/377408471.db2.gz HDPVWWCDRFKQFK-LBTNJELSSA-N 2 2 285.435 3.148 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)n1C ZINC000563437923 377466353 /nfs/dbraw/zinc/46/63/53/377466353.db2.gz BEVZPCDBVWNKEJ-ZDUSSCGKSA-N 2 2 257.381 3.196 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341304720 377501043 /nfs/dbraw/zinc/50/10/43/377501043.db2.gz IBLLMSOEHFRDOF-MAUKXSAKSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000166708570 542175756 /nfs/dbraw/zinc/17/57/56/542175756.db2.gz XBXHNRIOTNTWLE-RBSFLKMASA-N 2 2 291.464 3.119 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000166708570 542175760 /nfs/dbraw/zinc/17/57/60/542175760.db2.gz XBXHNRIOTNTWLE-RBSFLKMASA-N 2 2 291.464 3.119 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C(C)(C)C)cc2)c1 ZINC000313253896 249089701 /nfs/dbraw/zinc/08/97/01/249089701.db2.gz QVRRGSRQJJFELS-UHFFFAOYSA-N 2 2 271.408 3.050 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCc3ccsc3)C2)[nH]1 ZINC000360974121 249113700 /nfs/dbraw/zinc/11/37/00/249113700.db2.gz DVAFZBCHAZEJAE-AWEZNQCLSA-N 2 2 275.421 3.283 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCc3ccsc3)C2)[nH]1 ZINC000360974121 249113702 /nfs/dbraw/zinc/11/37/02/249113702.db2.gz DVAFZBCHAZEJAE-AWEZNQCLSA-N 2 2 275.421 3.283 20 0 CGADLP Clc1cccc(CC[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000459476022 249151099 /nfs/dbraw/zinc/15/10/99/249151099.db2.gz LADHUIMRSPHIQV-UHFFFAOYSA-N 2 2 289.810 3.369 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459504804 249152750 /nfs/dbraw/zinc/15/27/50/249152750.db2.gz GYIOCUJMNGMADF-KRWDZBQOSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459504804 249152753 /nfs/dbraw/zinc/15/27/53/249152753.db2.gz GYIOCUJMNGMADF-KRWDZBQOSA-N 2 2 287.382 3.247 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000459500709 249153539 /nfs/dbraw/zinc/15/35/39/249153539.db2.gz NHKSGBGYBXIFRY-OLZOCXBDSA-N 2 2 289.345 3.016 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000459500709 249153541 /nfs/dbraw/zinc/15/35/41/249153541.db2.gz NHKSGBGYBXIFRY-OLZOCXBDSA-N 2 2 289.345 3.016 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250369802 377558146 /nfs/dbraw/zinc/55/81/46/377558146.db2.gz SWWZSPGIDVTPPG-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250369802 377558159 /nfs/dbraw/zinc/55/81/59/377558159.db2.gz SWWZSPGIDVTPPG-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP CCCCOc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000470025487 249167313 /nfs/dbraw/zinc/16/73/13/249167313.db2.gz XGGIPQBKSUJWHC-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000470025487 249167315 /nfs/dbraw/zinc/16/73/15/249167315.db2.gz XGGIPQBKSUJWHC-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000516580551 249237255 /nfs/dbraw/zinc/23/72/55/249237255.db2.gz KWDBHIXNXIHJCK-HNNXBMFYSA-N 2 2 259.397 3.100 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000516580551 249237257 /nfs/dbraw/zinc/23/72/57/249237257.db2.gz KWDBHIXNXIHJCK-HNNXBMFYSA-N 2 2 259.397 3.100 20 0 CGADLP C[N@H+](CCCSc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000573921211 377595402 /nfs/dbraw/zinc/59/54/02/377595402.db2.gz MTKKODVUVUYKFM-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP C[N@@H+](CCCSc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000573921211 377595412 /nfs/dbraw/zinc/59/54/12/377595412.db2.gz MTKKODVUVUYKFM-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)n1C ZINC000573935147 377598417 /nfs/dbraw/zinc/59/84/17/377598417.db2.gz CFDZZWJJQZPSAG-GOSISDBHSA-N 2 2 283.419 3.112 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000252183632 377617752 /nfs/dbraw/zinc/61/77/52/377617752.db2.gz QKQMYDCLEOWSSO-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000252183632 377617761 /nfs/dbraw/zinc/61/77/61/377617761.db2.gz QKQMYDCLEOWSSO-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252416109 377620536 /nfs/dbraw/zinc/62/05/36/377620536.db2.gz SHCQFGXAGXHCIE-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252416109 377620540 /nfs/dbraw/zinc/62/05/40/377620540.db2.gz SHCQFGXAGXHCIE-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000574264032 377641280 /nfs/dbraw/zinc/64/12/80/377641280.db2.gz VPAPBQQQUMETAT-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)CC(C)(C)C)n1C ZINC000574465139 377668784 /nfs/dbraw/zinc/66/87/84/377668784.db2.gz CGINTVFZPZHZAS-GFCCVEGCSA-N 2 2 251.418 3.281 20 0 CGADLP Clc1ccccc1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342606080 377686343 /nfs/dbraw/zinc/68/63/43/377686343.db2.gz PFIZEBJKNVUWBO-UHFFFAOYSA-N 2 2 289.810 3.485 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000342604866 377687516 /nfs/dbraw/zinc/68/75/16/377687516.db2.gz FXWSVKPYHMAZTJ-SFHVURJKSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000342604866 377687522 /nfs/dbraw/zinc/68/75/22/377687522.db2.gz FXWSVKPYHMAZTJ-SFHVURJKSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000575083413 377746666 /nfs/dbraw/zinc/74/66/66/377746666.db2.gz LCHAEBYBNQHQKA-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000575083413 377746671 /nfs/dbraw/zinc/74/66/71/377746671.db2.gz LCHAEBYBNQHQKA-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000342706674 377746771 /nfs/dbraw/zinc/74/67/71/377746771.db2.gz IYPMTVJAMZEUOF-QGTPRVQTSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000342706674 377746782 /nfs/dbraw/zinc/74/67/82/377746782.db2.gz IYPMTVJAMZEUOF-QGTPRVQTSA-N 2 2 290.451 3.117 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000342719320 377753601 /nfs/dbraw/zinc/75/36/01/377753601.db2.gz ASVLNYUCDBUFJW-OKEQZYBDSA-N 2 2 258.409 3.210 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000342719320 377753606 /nfs/dbraw/zinc/75/36/06/377753606.db2.gz ASVLNYUCDBUFJW-OKEQZYBDSA-N 2 2 258.409 3.210 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]12 ZINC000261571490 377818548 /nfs/dbraw/zinc/81/85/48/377818548.db2.gz LCGNRTXJNJPLIE-XHVZSJERSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]12 ZINC000261571490 377818555 /nfs/dbraw/zinc/81/85/55/377818555.db2.gz LCGNRTXJNJPLIE-XHVZSJERSA-N 2 2 285.218 3.163 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261581584 377820797 /nfs/dbraw/zinc/82/07/97/377820797.db2.gz QTEBLEZKHREFPQ-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261581584 377820801 /nfs/dbraw/zinc/82/08/01/377820801.db2.gz QTEBLEZKHREFPQ-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261646226 377832530 /nfs/dbraw/zinc/83/25/30/377832530.db2.gz ARDIXIUKUYKYER-MRVPVSSYSA-N 2 2 280.721 3.138 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261646226 377832536 /nfs/dbraw/zinc/83/25/36/377832536.db2.gz ARDIXIUKUYKYER-MRVPVSSYSA-N 2 2 280.721 3.138 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261659509 377836550 /nfs/dbraw/zinc/83/65/50/377836550.db2.gz YEZLBLGJTNGTCC-OLZOCXBDSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261659509 377836554 /nfs/dbraw/zinc/83/65/54/377836554.db2.gz YEZLBLGJTNGTCC-OLZOCXBDSA-N 2 2 289.448 3.289 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC000342782316 377789305 /nfs/dbraw/zinc/78/93/05/377789305.db2.gz HLUJAFRGEWNCDV-NEPJUHHUSA-N 2 2 267.804 3.328 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)C[C@@H]1[NH3+] ZINC000261930186 377869820 /nfs/dbraw/zinc/86/98/20/377869820.db2.gz CSCSTVMZRDIVQT-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)C[C@@H]1[NH3+] ZINC000261930186 377869828 /nfs/dbraw/zinc/86/98/28/377869828.db2.gz CSCSTVMZRDIVQT-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000343074453 377894726 /nfs/dbraw/zinc/89/47/26/377894726.db2.gz WTHKOPQACAXEHZ-BQFCYCMXSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000343074453 377894735 /nfs/dbraw/zinc/89/47/35/377894735.db2.gz WTHKOPQACAXEHZ-BQFCYCMXSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cccc(CCCNc2cc[nH+]c(C)c2Cl)[nH+]1 ZINC000343221581 377932100 /nfs/dbraw/zinc/93/21/00/377932100.db2.gz CCVCIIBPMARVBS-UHFFFAOYSA-N 2 2 275.783 3.213 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000343280977 377946384 /nfs/dbraw/zinc/94/63/84/377946384.db2.gz WILAYKGSHAZIFL-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000343642927 378051823 /nfs/dbraw/zinc/05/18/23/378051823.db2.gz QDOQROIFRBJDHW-KBMXLJTQSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000343642927 378051827 /nfs/dbraw/zinc/05/18/27/378051827.db2.gz QDOQROIFRBJDHW-KBMXLJTQSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+]CC1(O)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268872029 378138610 /nfs/dbraw/zinc/13/86/10/378138610.db2.gz USMXRLUUMBQEEZ-HNNXBMFYSA-N 2 2 299.418 3.218 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000268746208 378101712 /nfs/dbraw/zinc/10/17/12/378101712.db2.gz SAKBFMBGVNJKNV-MMPTUQATSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000268746208 378101715 /nfs/dbraw/zinc/10/17/15/378101715.db2.gz SAKBFMBGVNJKNV-MMPTUQATSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579972678 378214239 /nfs/dbraw/zinc/21/42/39/378214239.db2.gz FYQOMELGIKXMHY-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579972678 378214243 /nfs/dbraw/zinc/21/42/43/378214243.db2.gz FYQOMELGIKXMHY-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP CCC[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000580011446 378217352 /nfs/dbraw/zinc/21/73/52/378217352.db2.gz FFNHJCBUMCWYPE-QGZVFWFLSA-N 2 2 272.436 3.350 20 0 CGADLP CCC[C@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000580011446 378217356 /nfs/dbraw/zinc/21/73/56/378217356.db2.gz FFNHJCBUMCWYPE-QGZVFWFLSA-N 2 2 272.436 3.350 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000580415154 378249334 /nfs/dbraw/zinc/24/93/34/378249334.db2.gz DVMTXCGJIIMPRD-ZNMIVQPWSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000580415154 378249339 /nfs/dbraw/zinc/24/93/39/378249339.db2.gz DVMTXCGJIIMPRD-ZNMIVQPWSA-N 2 2 252.446 3.131 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)[nH]1 ZINC000270300530 378332093 /nfs/dbraw/zinc/33/20/93/378332093.db2.gz BNHSMXWGOQSCBW-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591844 378333547 /nfs/dbraw/zinc/33/35/47/378333547.db2.gz ILJMLLWRCVFPHZ-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591844 378333554 /nfs/dbraw/zinc/33/35/54/378333554.db2.gz ILJMLLWRCVFPHZ-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591844 378333559 /nfs/dbraw/zinc/33/35/59/378333559.db2.gz ILJMLLWRCVFPHZ-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591844 378333565 /nfs/dbraw/zinc/33/35/65/378333565.db2.gz ILJMLLWRCVFPHZ-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591843 378334224 /nfs/dbraw/zinc/33/42/24/378334224.db2.gz ILJMLLWRCVFPHZ-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591843 378334229 /nfs/dbraw/zinc/33/42/29/378334229.db2.gz ILJMLLWRCVFPHZ-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591843 378334233 /nfs/dbraw/zinc/33/42/33/378334233.db2.gz ILJMLLWRCVFPHZ-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591843 378334237 /nfs/dbraw/zinc/33/42/37/378334237.db2.gz ILJMLLWRCVFPHZ-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000270023771 378295802 /nfs/dbraw/zinc/29/58/02/378295802.db2.gz XDNFJHRPLOWOTR-BLLLJJGKSA-N 2 2 270.376 3.439 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000270858004 378406339 /nfs/dbraw/zinc/40/63/39/378406339.db2.gz RBDQNIVMBUZQQP-UHFFFAOYSA-N 2 2 285.366 3.120 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000270893462 378410040 /nfs/dbraw/zinc/41/00/40/378410040.db2.gz POSGWKHGJNPOCX-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000270893462 378410044 /nfs/dbraw/zinc/41/00/44/378410044.db2.gz POSGWKHGJNPOCX-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000346059461 378451904 /nfs/dbraw/zinc/45/19/04/378451904.db2.gz CAZRGXSWKWELDE-QGZVFWFLSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[C@@H](C)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346118104 378468874 /nfs/dbraw/zinc/46/88/74/378468874.db2.gz DACPBBUOCZRBEU-CYBMUJFWSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346118104 378468878 /nfs/dbraw/zinc/46/88/78/378468878.db2.gz DACPBBUOCZRBEU-CYBMUJFWSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@@H](C)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346118104 378468882 /nfs/dbraw/zinc/46/88/82/378468882.db2.gz DACPBBUOCZRBEU-CYBMUJFWSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@@H](C)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346118104 378468886 /nfs/dbraw/zinc/46/88/86/378468886.db2.gz DACPBBUOCZRBEU-CYBMUJFWSA-N 2 2 295.496 3.386 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000346175181 378492255 /nfs/dbraw/zinc/49/22/55/378492255.db2.gz NIYJZCZSCGUCGW-KFWWJZLASA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000346175181 378492256 /nfs/dbraw/zinc/49/22/56/378492256.db2.gz NIYJZCZSCGUCGW-KFWWJZLASA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597894 378638271 /nfs/dbraw/zinc/63/82/71/378638271.db2.gz XKQQIQJDYLZYEH-WMLDXEAASA-N 2 2 270.420 3.138 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597894 378638277 /nfs/dbraw/zinc/63/82/77/378638277.db2.gz XKQQIQJDYLZYEH-WMLDXEAASA-N 2 2 270.420 3.138 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000346650512 378661739 /nfs/dbraw/zinc/66/17/39/378661739.db2.gz CLRDMYQBLTUPST-STQMWFEESA-N 2 2 295.496 3.073 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000346650512 378661745 /nfs/dbraw/zinc/66/17/45/378661745.db2.gz CLRDMYQBLTUPST-STQMWFEESA-N 2 2 295.496 3.073 20 0 CGADLP C[NH2+]CC[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000346661650 378665896 /nfs/dbraw/zinc/66/58/96/378665896.db2.gz BHJNREUAJAUPEX-UHFFFAOYSA-N 2 2 254.377 3.005 20 0 CGADLP C[NH2+]CC[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000346661650 378665900 /nfs/dbraw/zinc/66/59/00/378665900.db2.gz BHJNREUAJAUPEX-UHFFFAOYSA-N 2 2 254.377 3.005 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000347926692 378731898 /nfs/dbraw/zinc/73/18/98/378731898.db2.gz YQMVXBORBWTYBB-INIZCTEOSA-N 2 2 278.465 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCS[C@H](C(C)C)C1 ZINC000347926692 378731902 /nfs/dbraw/zinc/73/19/02/378731902.db2.gz YQMVXBORBWTYBB-INIZCTEOSA-N 2 2 278.465 3.396 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638297344 378760117 /nfs/dbraw/zinc/76/01/17/378760117.db2.gz BMTXBZADJWWYSM-MUJYYYPQSA-N 2 2 283.419 3.371 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348121873 378800409 /nfs/dbraw/zinc/80/04/09/378800409.db2.gz RURGGDIXXCLEOQ-HZPDHXFCSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348083883 378783435 /nfs/dbraw/zinc/78/34/35/378783435.db2.gz KJKCEFDYFFVBFS-YOEHRIQHSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348083880 378783581 /nfs/dbraw/zinc/78/35/81/378783581.db2.gz KJKCEFDYFFVBFS-PBHICJAKSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000346784074 218012122 /nfs/dbraw/zinc/01/21/22/218012122.db2.gz WJXCCCBUBFMMPN-DOPJRALCSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000346784074 218012123 /nfs/dbraw/zinc/01/21/23/218012123.db2.gz WJXCCCBUBFMMPN-DOPJRALCSA-N 2 2 288.435 3.219 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCSc3ccccc32)CCC[N@@H+]1C ZINC000346799747 218017494 /nfs/dbraw/zinc/01/74/94/218017494.db2.gz OGZJDZRGTWACBE-SNPRPXQTSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCSc3ccccc32)CCC[N@H+]1C ZINC000346799747 218017496 /nfs/dbraw/zinc/01/74/96/218017496.db2.gz OGZJDZRGTWACBE-SNPRPXQTSA-N 2 2 276.449 3.296 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638448601 378807399 /nfs/dbraw/zinc/80/73/99/378807399.db2.gz VEUHUDMJTKBUIT-YUELXQCFSA-N 2 2 282.378 3.231 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CC(F)(F)F ZINC000348218418 378843522 /nfs/dbraw/zinc/84/35/22/378843522.db2.gz IYRSVGOSGZLFBJ-NSHDSACASA-N 2 2 260.303 3.253 20 0 CGADLP C[C@H](C[NH2+]CC1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000638618920 378852781 /nfs/dbraw/zinc/85/27/81/378852781.db2.gz PMYQRXGQJSRYAD-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@H](C[NH2+]CC1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000638618920 378852787 /nfs/dbraw/zinc/85/27/87/378852787.db2.gz PMYQRXGQJSRYAD-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000278519124 194023083 /nfs/dbraw/zinc/02/30/83/194023083.db2.gz CHDJQKYRBZPQIO-OAHLLOKOSA-N 2 2 297.402 3.389 20 0 CGADLP CC[C@@](C)(C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638689601 378872321 /nfs/dbraw/zinc/87/23/21/378872321.db2.gz MKAWMXBCEKZISE-YOEHRIQHSA-N 2 2 287.407 3.338 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000346989892 218081784 /nfs/dbraw/zinc/08/17/84/218081784.db2.gz HKNKLWRUTDUGNT-NVXWUHKLSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000346989892 218081785 /nfs/dbraw/zinc/08/17/85/218081785.db2.gz HKNKLWRUTDUGNT-NVXWUHKLSA-N 2 2 295.430 3.015 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238187 378951568 /nfs/dbraw/zinc/95/15/68/378951568.db2.gz GMIKWEOSTCFHEE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238187 378951572 /nfs/dbraw/zinc/95/15/72/378951572.db2.gz GMIKWEOSTCFHEE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238187 378951576 /nfs/dbraw/zinc/95/15/76/378951576.db2.gz GMIKWEOSTCFHEE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000275238187 378951582 /nfs/dbraw/zinc/95/15/82/378951582.db2.gz GMIKWEOSTCFHEE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000347047915 218103692 /nfs/dbraw/zinc/10/36/92/218103692.db2.gz PAWPEXVYJYRGLC-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000347047915 218103693 /nfs/dbraw/zinc/10/36/93/218103693.db2.gz PAWPEXVYJYRGLC-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108369 218123957 /nfs/dbraw/zinc/12/39/57/218123957.db2.gz OJRAJXACWQTBNF-ABAIWWIYSA-N 2 2 276.355 3.274 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108369 218123959 /nfs/dbraw/zinc/12/39/59/218123959.db2.gz OJRAJXACWQTBNF-ABAIWWIYSA-N 2 2 276.355 3.274 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000347118311 218128448 /nfs/dbraw/zinc/12/84/48/218128448.db2.gz CROWLQIHQDYOBF-HYVNUMGLSA-N 2 2 260.425 3.458 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000347118311 218128450 /nfs/dbraw/zinc/12/84/50/218128450.db2.gz CROWLQIHQDYOBF-HYVNUMGLSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c[nH+]1 ZINC000348553058 378991534 /nfs/dbraw/zinc/99/15/34/378991534.db2.gz WPRCJZGNFOHLAU-FUHWJXTLSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c[nH+]1 ZINC000348553058 378991540 /nfs/dbraw/zinc/99/15/40/378991540.db2.gz WPRCJZGNFOHLAU-FUHWJXTLSA-N 2 2 290.451 3.338 20 0 CGADLP c1sc2ccccc2c1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347129887 218131463 /nfs/dbraw/zinc/13/14/63/218131463.db2.gz QCBMEVKDYBPWHJ-AWEZNQCLSA-N 2 2 272.417 3.228 20 0 CGADLP c1sc2ccccc2c1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347129887 218131465 /nfs/dbraw/zinc/13/14/65/218131465.db2.gz QCBMEVKDYBPWHJ-AWEZNQCLSA-N 2 2 272.417 3.228 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347184620 218148810 /nfs/dbraw/zinc/14/88/10/218148810.db2.gz YDLJNEUFBQMKDP-UXGDDLMTSA-N 2 2 262.372 3.041 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347184620 218148812 /nfs/dbraw/zinc/14/88/12/218148812.db2.gz YDLJNEUFBQMKDP-UXGDDLMTSA-N 2 2 262.372 3.041 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000639089775 379011742 /nfs/dbraw/zinc/01/17/42/379011742.db2.gz FFAWGIRNBSTNKS-BMGDILEWSA-N 2 2 290.451 3.001 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000370670302 379050147 /nfs/dbraw/zinc/05/01/47/379050147.db2.gz ZMUPWEGRMLOCEY-GFCCVEGCSA-N 2 2 275.421 3.174 20 0 CGADLP Cc1noc(C)c1C(C)(C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348811286 379063350 /nfs/dbraw/zinc/06/33/50/379063350.db2.gz SMPHULPLWROKBK-UHFFFAOYSA-N 2 2 287.407 3.452 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)C/C(Cl)=C/Cl ZINC000277122778 379074619 /nfs/dbraw/zinc/07/46/19/379074619.db2.gz HZKATSQTARIGLX-BENRWUELSA-N 2 2 290.238 3.477 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C(Cl)=C/Cl ZINC000277122778 379074622 /nfs/dbraw/zinc/07/46/22/379074622.db2.gz HZKATSQTARIGLX-BENRWUELSA-N 2 2 290.238 3.477 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@H]3C3CC3)[nH+]c2)c[nH+]1 ZINC000348848040 379083705 /nfs/dbraw/zinc/08/37/05/379083705.db2.gz MBNGDGZLYFFEPU-JKSUJKDBSA-N 2 2 282.391 3.317 20 0 CGADLP CCC[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC000639174973 379093426 /nfs/dbraw/zinc/09/34/26/379093426.db2.gz DQTFCIJFKHOWBM-KRWDZBQOSA-N 2 2 293.455 3.190 20 0 CGADLP CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000191958169 542262548 /nfs/dbraw/zinc/26/25/48/542262548.db2.gz LMRXPJKLNQEYFC-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2cccnc2)[nH+]1 ZINC000348938023 379119700 /nfs/dbraw/zinc/11/97/00/379119700.db2.gz XVKGATCJTLTOBR-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2cccnc2)[nH+]1 ZINC000348938023 379119706 /nfs/dbraw/zinc/11/97/06/379119706.db2.gz XVKGATCJTLTOBR-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135065 379166540 /nfs/dbraw/zinc/16/65/40/379166540.db2.gz YAYMZUISGRRTMV-WBVHZDCISA-N 2 2 283.419 3.088 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135065 379166549 /nfs/dbraw/zinc/16/65/49/379166549.db2.gz YAYMZUISGRRTMV-WBVHZDCISA-N 2 2 283.419 3.088 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000349150753 379171042 /nfs/dbraw/zinc/17/10/42/379171042.db2.gz NCVKWZNDZDTADA-CYBMUJFWSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000349150753 379171049 /nfs/dbraw/zinc/17/10/49/379171049.db2.gz NCVKWZNDZDTADA-CYBMUJFWSA-N 2 2 281.359 3.156 20 0 CGADLP CCc1ccccc1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000277613465 379200025 /nfs/dbraw/zinc/20/00/25/379200025.db2.gz FXMPSIZHWFFTNT-UHFFFAOYSA-N 2 2 271.408 3.010 20 0 CGADLP CCc1ccccc1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000277613465 379200032 /nfs/dbraw/zinc/20/00/32/379200032.db2.gz FXMPSIZHWFFTNT-UHFFFAOYSA-N 2 2 271.408 3.010 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1ccns1)C1CCCCC1 ZINC000639291962 379239068 /nfs/dbraw/zinc/23/90/68/379239068.db2.gz XFWGGQDHTCONHC-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1ccns1)C1CCCCC1 ZINC000639291962 379239074 /nfs/dbraw/zinc/23/90/74/379239074.db2.gz XFWGGQDHTCONHC-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349412309 379274188 /nfs/dbraw/zinc/27/41/88/379274188.db2.gz BOBRDGFSWOAHQV-CVEARBPZSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349412309 379274197 /nfs/dbraw/zinc/27/41/97/379274197.db2.gz BOBRDGFSWOAHQV-CVEARBPZSA-N 2 2 261.413 3.197 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccnc2C)CC1 ZINC000639376439 379335456 /nfs/dbraw/zinc/33/54/56/379335456.db2.gz JEERUHGDKCUQNJ-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(C)[nH+]1 ZINC000639545059 379465658 /nfs/dbraw/zinc/46/56/58/379465658.db2.gz PZKXBPQZSHYKRD-KRWDZBQOSA-N 2 2 298.434 3.250 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(C)[nH+]1 ZINC000639545059 379465661 /nfs/dbraw/zinc/46/56/61/379465661.db2.gz PZKXBPQZSHYKRD-KRWDZBQOSA-N 2 2 298.434 3.250 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000349980109 379471353 /nfs/dbraw/zinc/47/13/53/379471353.db2.gz YIUJKRJPWBOSFJ-ZBFHGGJFSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000349980109 379471358 /nfs/dbraw/zinc/47/13/58/379471358.db2.gz YIUJKRJPWBOSFJ-ZBFHGGJFSA-N 2 2 291.439 3.042 20 0 CGADLP COc1c(C)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1C ZINC000376727982 379595604 /nfs/dbraw/zinc/59/56/04/379595604.db2.gz HSWNUGYJOIQYLK-UHFFFAOYSA-N 2 2 299.418 3.135 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(C)[nH+]1 ZINC000639720088 379560190 /nfs/dbraw/zinc/56/01/90/379560190.db2.gz USJDNURAZPBCDI-MRXNPFEDSA-N 2 2 276.424 3.396 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1csc(C)n1)CCC2 ZINC000376527058 379573547 /nfs/dbraw/zinc/57/35/47/379573547.db2.gz DXPXSXYELLOBQG-YPMHNXCESA-N 2 2 290.436 3.185 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000347673274 218317461 /nfs/dbraw/zinc/31/74/61/218317461.db2.gz HMKUJBHVHGRHSA-CHWSQXEVSA-N 2 2 277.799 3.318 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000377000119 379622968 /nfs/dbraw/zinc/62/29/68/379622968.db2.gz JCKUKMFLTMGXDR-OAHLLOKOSA-N 2 2 285.391 3.022 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000280165823 379627326 /nfs/dbraw/zinc/62/73/26/379627326.db2.gz FOLOSOCCJYHPGA-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000280165823 379627331 /nfs/dbraw/zinc/62/73/31/379627331.db2.gz FOLOSOCCJYHPGA-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377261761 379657887 /nfs/dbraw/zinc/65/78/87/379657887.db2.gz LCZNGMRDBATSCL-MRXNPFEDSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377261761 379657890 /nfs/dbraw/zinc/65/78/90/379657890.db2.gz LCZNGMRDBATSCL-MRXNPFEDSA-N 2 2 283.419 3.417 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982339 379672199 /nfs/dbraw/zinc/67/21/99/379672199.db2.gz MQENCKMWLFMHLZ-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000377826028 379745640 /nfs/dbraw/zinc/74/56/40/379745640.db2.gz IDZSITWRIDZFED-CQSZACIVSA-N 2 2 263.429 3.138 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000377826028 379745645 /nfs/dbraw/zinc/74/56/45/379745645.db2.gz IDZSITWRIDZFED-CQSZACIVSA-N 2 2 263.429 3.138 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280787883 379789349 /nfs/dbraw/zinc/78/93/49/379789349.db2.gz HHWAUBGFVULJKY-SFHVURJKSA-N 2 2 281.403 3.459 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C[N@@H+]1C1CC1 ZINC000280855296 379807898 /nfs/dbraw/zinc/80/78/98/379807898.db2.gz MXVZJJXYCYMEBT-QBIMZIAESA-N 2 2 285.435 3.138 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C[N@H+]1C1CC1 ZINC000280855296 379807902 /nfs/dbraw/zinc/80/79/02/379807902.db2.gz MXVZJJXYCYMEBT-QBIMZIAESA-N 2 2 285.435 3.138 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000347758617 218347486 /nfs/dbraw/zinc/34/74/86/218347486.db2.gz WBSZEGBMWDQAAN-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000347758617 218347489 /nfs/dbraw/zinc/34/74/89/218347489.db2.gz WBSZEGBMWDQAAN-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000378960961 379859903 /nfs/dbraw/zinc/85/99/03/379859903.db2.gz QFQLDYCMOTUQBZ-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000378960961 379859904 /nfs/dbraw/zinc/85/99/04/379859904.db2.gz QFQLDYCMOTUQBZ-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP COCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000282488301 379930234 /nfs/dbraw/zinc/93/02/34/379930234.db2.gz HMWZLPSTVRVFCP-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000389263102 379896430 /nfs/dbraw/zinc/89/64/30/379896430.db2.gz PBWZBUWANKQAGH-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000389263102 379896434 /nfs/dbraw/zinc/89/64/34/379896434.db2.gz PBWZBUWANKQAGH-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(CC)nc2)C1 ZINC000347821238 218367560 /nfs/dbraw/zinc/36/75/60/218367560.db2.gz RZXYFHNBULOAIQ-QGZVFWFLSA-N 2 2 298.434 3.240 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(CC)nc2)C1 ZINC000347821238 218367563 /nfs/dbraw/zinc/36/75/63/218367563.db2.gz RZXYFHNBULOAIQ-QGZVFWFLSA-N 2 2 298.434 3.240 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547323 379901282 /nfs/dbraw/zinc/90/12/82/379901282.db2.gz MULGQCQJSAHBMY-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547323 379901291 /nfs/dbraw/zinc/90/12/91/379901291.db2.gz MULGQCQJSAHBMY-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000390596809 379906729 /nfs/dbraw/zinc/90/67/29/379906729.db2.gz UOYJHHKNSSOWMW-CUSZFKRNSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390596809 379906732 /nfs/dbraw/zinc/90/67/32/379906732.db2.gz UOYJHHKNSSOWMW-CUSZFKRNSA-N 2 2 290.451 3.053 20 0 CGADLP CC[NH2+]CCC[NH2+][C@H](C)c1sccc1Br ZINC000571313146 322295429 /nfs/dbraw/zinc/29/54/29/322295429.db2.gz VVDBBZIAGWSUFB-SECBINFHSA-N 2 2 291.258 3.161 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000399039842 379932967 /nfs/dbraw/zinc/93/29/67/379932967.db2.gz QTLMCRAGWYZIDU-WZRBSPASSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000398976042 379933536 /nfs/dbraw/zinc/93/35/36/379933536.db2.gz BMYPHHFZDGSKAF-UHIISALHSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399145893 379935195 /nfs/dbraw/zinc/93/51/95/379935195.db2.gz WWBVZXQGOIUOPB-FMKPAKJESA-N 2 2 276.424 3.265 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000400324940 379947836 /nfs/dbraw/zinc/94/78/36/379947836.db2.gz CZCFBQGNHGSBAL-WDMOLILDSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000400510536 379950762 /nfs/dbraw/zinc/95/07/62/379950762.db2.gz LKJAEOGJFLMEJC-DMDPSCGWSA-N 2 2 284.350 3.079 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400452328 379951554 /nfs/dbraw/zinc/95/15/54/379951554.db2.gz RLOASKLGLVUWDK-JJRVBVJISA-N 2 2 276.424 3.265 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(C)(C)C)cc[nH+]1 ZINC000641287577 379986824 /nfs/dbraw/zinc/98/68/24/379986824.db2.gz NMMNNHLXHMKGQV-LBPRGKRZSA-N 2 2 258.369 3.076 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352972280 380061504 /nfs/dbraw/zinc/06/15/04/380061504.db2.gz CJLFUKOBWVPZRQ-AEFFLSMTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352972280 380061508 /nfs/dbraw/zinc/06/15/08/380061508.db2.gz CJLFUKOBWVPZRQ-AEFFLSMTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352972280 380061513 /nfs/dbraw/zinc/06/15/13/380061513.db2.gz CJLFUKOBWVPZRQ-AEFFLSMTSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352972280 380061517 /nfs/dbraw/zinc/06/15/17/380061517.db2.gz CJLFUKOBWVPZRQ-AEFFLSMTSA-N 2 2 289.467 3.060 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352929541 380043918 /nfs/dbraw/zinc/04/39/18/380043918.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352929541 380043925 /nfs/dbraw/zinc/04/39/25/380043925.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352929541 380043928 /nfs/dbraw/zinc/04/39/28/380043928.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000352929541 380043935 /nfs/dbraw/zinc/04/39/35/380043935.db2.gz GYOMPJOIVJTTOE-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000284064148 380122095 /nfs/dbraw/zinc/12/20/95/380122095.db2.gz KXARMQVBWKIDFM-UONOGXRCSA-N 2 2 286.423 3.190 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000353253766 380190210 /nfs/dbraw/zinc/19/02/10/380190210.db2.gz VUYKTHHVUQYPQK-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000353253766 380190218 /nfs/dbraw/zinc/19/02/18/380190218.db2.gz VUYKTHHVUQYPQK-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945129 380248270 /nfs/dbraw/zinc/24/82/70/380248270.db2.gz NLUJFIKZVNQVLR-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945129 380248273 /nfs/dbraw/zinc/24/82/73/380248273.db2.gz NLUJFIKZVNQVLR-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414479433 380257298 /nfs/dbraw/zinc/25/72/98/380257298.db2.gz AVCLYMZDGUJRGR-RTBURBONSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000414479433 380257306 /nfs/dbraw/zinc/25/73/06/380257306.db2.gz AVCLYMZDGUJRGR-RTBURBONSA-N 2 2 296.414 3.131 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[N@@H+]1C ZINC000353529117 380210010 /nfs/dbraw/zinc/21/00/10/380210010.db2.gz IIFJMMBPPKGLST-BMFZPTHFSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[N@H+]1C ZINC000353529117 380210013 /nfs/dbraw/zinc/21/00/13/380210013.db2.gz IIFJMMBPPKGLST-BMFZPTHFSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066790 380210815 /nfs/dbraw/zinc/21/08/15/380210815.db2.gz TYRLWUKAJQIPDN-OSAQELSMSA-N 2 2 296.361 3.033 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066790 380210819 /nfs/dbraw/zinc/21/08/19/380210819.db2.gz TYRLWUKAJQIPDN-OSAQELSMSA-N 2 2 296.361 3.033 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000643502535 380326480 /nfs/dbraw/zinc/32/64/80/380326480.db2.gz JMQJQXJWYUQLJN-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000643506493 380328328 /nfs/dbraw/zinc/32/83/28/380328328.db2.gz YSRKDCZWWFEGOZ-CQSZACIVSA-N 2 2 297.240 3.242 20 0 CGADLP c1csc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)c1 ZINC000643506686 380328785 /nfs/dbraw/zinc/32/87/85/380328785.db2.gz FWTHHBZPTBDQFD-HNNXBMFYSA-N 2 2 264.438 3.321 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507719 380329751 /nfs/dbraw/zinc/32/97/51/380329751.db2.gz NPSALJWFOAOTGC-IRXDYDNUSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[NH2+]C1CC1 ZINC000643507290 380329791 /nfs/dbraw/zinc/32/97/91/380329791.db2.gz YJFQFFRJJRPYDD-JTQLQIEISA-N 2 2 272.845 3.064 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643507581 380330448 /nfs/dbraw/zinc/33/04/48/380330448.db2.gz JGGSBBRIJFDOIV-ZMLRMANQSA-N 2 2 284.856 3.235 20 0 CGADLP Cc1ccc(N[C@@H]2CCc3ccc[nH+]c3CC2)[nH+]c1 ZINC000643347796 380290676 /nfs/dbraw/zinc/29/06/76/380290676.db2.gz ISUCKFNXTAFPCN-CQSZACIVSA-N 2 2 253.349 3.145 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000414685275 380372230 /nfs/dbraw/zinc/37/22/30/380372230.db2.gz YTOSTCLYCOBXML-WCQYABFASA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000414685275 380372235 /nfs/dbraw/zinc/37/22/35/380372235.db2.gz YTOSTCLYCOBXML-WCQYABFASA-N 2 2 270.367 3.331 20 0 CGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@H](C)[NH3+] ZINC000643526932 380342255 /nfs/dbraw/zinc/34/22/55/380342255.db2.gz BIOOYOJKNJNTHT-RISCZKNCSA-N 2 2 284.831 3.373 20 0 CGADLP CCCOc1ncccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354157556 380348607 /nfs/dbraw/zinc/34/86/07/380348607.db2.gz IXFZEFWZMLAIIL-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167415 380351166 /nfs/dbraw/zinc/35/11/66/380351166.db2.gz QIEZAMSYCKMOIL-UWWQBHOKSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167415 380351170 /nfs/dbraw/zinc/35/11/70/380351170.db2.gz QIEZAMSYCKMOIL-UWWQBHOKSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354167415 380351173 /nfs/dbraw/zinc/35/11/73/380351173.db2.gz QIEZAMSYCKMOIL-UWWQBHOKSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000354167415 380351176 /nfs/dbraw/zinc/35/11/76/380351176.db2.gz QIEZAMSYCKMOIL-UWWQBHOKSA-N 2 2 288.435 3.321 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000354167917 380351819 /nfs/dbraw/zinc/35/18/19/380351819.db2.gz UPHLFAYDVBVUCA-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000354167917 380351824 /nfs/dbraw/zinc/35/18/24/380351824.db2.gz UPHLFAYDVBVUCA-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000354167917 380351829 /nfs/dbraw/zinc/35/18/29/380351829.db2.gz UPHLFAYDVBVUCA-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1F ZINC000354167917 380351833 /nfs/dbraw/zinc/35/18/33/380351833.db2.gz UPHLFAYDVBVUCA-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(F)cc(C)cc2Cl)C1 ZINC000414653801 380353995 /nfs/dbraw/zinc/35/39/95/380353995.db2.gz IHOHFMCYJCKPJD-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C)cc2Cl)C1 ZINC000414653801 380354002 /nfs/dbraw/zinc/35/40/02/380354002.db2.gz IHOHFMCYJCKPJD-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537328 380354426 /nfs/dbraw/zinc/35/44/26/380354426.db2.gz FEJNDDPBCOLHOW-AVGNSLFASA-N 2 2 290.382 3.346 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(F)c2ccccc21 ZINC000643538786 380355605 /nfs/dbraw/zinc/35/56/05/380355605.db2.gz VSVXXABRRMHZEO-AVGNSLFASA-N 2 2 290.357 3.330 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(F)c1F ZINC000643547234 380361545 /nfs/dbraw/zinc/36/15/45/380361545.db2.gz BSDXTJPFAVMLME-NEPJUHHUSA-N 2 2 280.362 3.290 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCC(F)(F)F)c[nH+]1 ZINC000354397855 380423529 /nfs/dbraw/zinc/42/35/29/380423529.db2.gz FEFKSBVYQWPMMQ-UHFFFAOYSA-N 2 2 260.303 3.255 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826025 380435854 /nfs/dbraw/zinc/43/58/54/380435854.db2.gz DRCXEHOZODKEHU-QZTJIDSGSA-N 2 2 268.404 3.297 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414856802 380457973 /nfs/dbraw/zinc/45/79/73/380457973.db2.gz ZQBWIBAAYLJDLE-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP CC[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414837660 380443756 /nfs/dbraw/zinc/44/37/56/380443756.db2.gz UUMFCEYZYFTGRP-MAUKXSAKSA-N 2 2 268.404 3.470 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414838365 380446259 /nfs/dbraw/zinc/44/62/59/380446259.db2.gz KMKPFEIRYRAALA-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CC(C)Cc1ncc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414855582 380458190 /nfs/dbraw/zinc/45/81/90/380458190.db2.gz XCHWQYNIPDERHU-OAHLLOKOSA-N 2 2 295.496 3.339 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414847453 380451426 /nfs/dbraw/zinc/45/14/26/380451426.db2.gz OSEXJFYQBAMOBR-SFHVURJKSA-N 2 2 283.419 3.303 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000354352645 380409337 /nfs/dbraw/zinc/40/93/37/380409337.db2.gz QTAYPLNBRJKWQW-HNNXBMFYSA-N 2 2 284.403 3.249 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414796467 380410911 /nfs/dbraw/zinc/41/09/11/380410911.db2.gz NZVVVTKNKGYICS-GFCCVEGCSA-N 2 2 261.196 3.066 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414810142 380422306 /nfs/dbraw/zinc/42/23/06/380422306.db2.gz WWXIKFGNKIHNJL-UHFFFAOYSA-N 2 2 295.477 3.479 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000414924910 380491931 /nfs/dbraw/zinc/49/19/31/380491931.db2.gz IBUIZSHQLOENCV-INIZCTEOSA-N 2 2 283.419 3.103 20 0 CGADLP [NH3+]C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc2ccccc2c1 ZINC000414940826 380498086 /nfs/dbraw/zinc/49/80/86/380498086.db2.gz KOSDFFRCFKJXJQ-DYVFJYSZSA-N 2 2 286.444 3.182 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000414942439 380500729 /nfs/dbraw/zinc/50/07/29/380500729.db2.gz DLEIFFXSLJNRJD-BXKDBHETSA-N 2 2 290.304 3.075 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(F)c(F)cc2F)CCCCCC1 ZINC000414859831 380460404 /nfs/dbraw/zinc/46/04/04/380460404.db2.gz NXXPTIJHGWDGJA-UHFFFAOYSA-N 2 2 286.341 3.245 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CCCCCC1 ZINC000414860151 380462323 /nfs/dbraw/zinc/46/23/23/380462323.db2.gz OJZUOAPRROACDE-UHFFFAOYSA-N 2 2 286.341 3.245 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414862225 380463628 /nfs/dbraw/zinc/46/36/28/380463628.db2.gz GZCQNXGBHFNGPI-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(C)c1 ZINC000355117699 380582207 /nfs/dbraw/zinc/58/22/07/380582207.db2.gz UPRJTJYRTOXSJK-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(C)c1 ZINC000355117699 380582209 /nfs/dbraw/zinc/58/22/09/380582209.db2.gz UPRJTJYRTOXSJK-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(C)c1 ZINC000355117699 380582212 /nfs/dbraw/zinc/58/22/12/380582212.db2.gz UPRJTJYRTOXSJK-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(C)c1 ZINC000355117699 380582215 /nfs/dbraw/zinc/58/22/15/380582215.db2.gz UPRJTJYRTOXSJK-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2COc3ccc(F)cc32)c[nH+]1 ZINC000354671133 380523485 /nfs/dbraw/zinc/52/34/85/380523485.db2.gz VNHOEVDVLFVCQY-INIZCTEOSA-N 2 2 286.350 3.185 20 0 CGADLP CC1(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355125116 380587103 /nfs/dbraw/zinc/58/71/03/380587103.db2.gz PUSCOCPRVCWKBH-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355125116 380587106 /nfs/dbraw/zinc/58/71/06/380587106.db2.gz PUSCOCPRVCWKBH-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302136 380587346 /nfs/dbraw/zinc/58/73/46/380587346.db2.gz CAZLCELAFAXCFT-XVLPMQGWSA-N 2 2 290.476 3.312 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302136 380587348 /nfs/dbraw/zinc/58/73/48/380587348.db2.gz CAZLCELAFAXCFT-XVLPMQGWSA-N 2 2 290.476 3.312 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355154442 380600797 /nfs/dbraw/zinc/60/07/97/380600797.db2.gz KSMLZZPWSSUKHQ-UKRRQHHQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000355154442 380600802 /nfs/dbraw/zinc/60/08/02/380600802.db2.gz KSMLZZPWSSUKHQ-UKRRQHHQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174551 380611766 /nfs/dbraw/zinc/61/17/66/380611766.db2.gz ZQWWFDOJAXJZHE-DZGCQCFKSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174551 380611767 /nfs/dbraw/zinc/61/17/67/380611767.db2.gz ZQWWFDOJAXJZHE-DZGCQCFKSA-N 2 2 284.513 3.228 20 0 CGADLP CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000417389465 380617639 /nfs/dbraw/zinc/61/76/39/380617639.db2.gz XJHSASHLOVOPRO-INIZCTEOSA-N 2 2 276.424 3.220 20 0 CGADLP COc1ccc(C[NH2+]CC[N@H+]2CC=CCC2)c2ccccc12 ZINC000355544226 380706245 /nfs/dbraw/zinc/70/62/45/380706245.db2.gz HSOAMAQKSMBXMU-UHFFFAOYSA-N 2 2 296.414 3.200 20 0 CGADLP COc1ccc(C[NH2+]CC[N@@H+]2CC=CCC2)c2ccccc12 ZINC000355544226 380706248 /nfs/dbraw/zinc/70/62/48/380706248.db2.gz HSOAMAQKSMBXMU-UHFFFAOYSA-N 2 2 296.414 3.200 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[NH+]1CCC(C)CC1 ZINC000355744150 380767544 /nfs/dbraw/zinc/76/75/44/380767544.db2.gz YAMZETIGIHTKMO-GJZGRUSLSA-N 2 2 282.472 3.043 20 0 CGADLP COCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000419382773 380824244 /nfs/dbraw/zinc/82/42/44/380824244.db2.gz IEBACSOLKWEUFI-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP COCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000419382773 380824249 /nfs/dbraw/zinc/82/42/49/380824249.db2.gz IEBACSOLKWEUFI-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP Cc1ccc(CC(C)(C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000419332665 380806315 /nfs/dbraw/zinc/80/63/15/380806315.db2.gz KUCJGJDCZHRBDD-UHFFFAOYSA-N 2 2 271.408 3.193 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000646050939 380812821 /nfs/dbraw/zinc/81/28/21/380812821.db2.gz URAXSXZDYZVRPV-CVEARBPZSA-N 2 2 275.440 3.421 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000646050939 380812828 /nfs/dbraw/zinc/81/28/28/380812828.db2.gz URAXSXZDYZVRPV-CVEARBPZSA-N 2 2 275.440 3.421 20 0 CGADLP COCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000356784322 380868600 /nfs/dbraw/zinc/86/86/00/380868600.db2.gz MKJDENHHUBNGRF-HNNXBMFYSA-N 2 2 294.439 3.210 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)C[N@@H+]1C1CC1 ZINC000421362130 380897777 /nfs/dbraw/zinc/89/77/77/380897777.db2.gz IFTOFLWTWHMSCZ-ZIAGYGMSSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)C[N@H+]1C1CC1 ZINC000421362130 380897779 /nfs/dbraw/zinc/89/77/79/380897779.db2.gz IFTOFLWTWHMSCZ-ZIAGYGMSSA-N 2 2 262.441 3.314 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2cccc(C3CC3)c2)CCSC1 ZINC000421364112 380900531 /nfs/dbraw/zinc/90/05/31/380900531.db2.gz NMNFDRUKXCKIGX-QGZVFWFLSA-N 2 2 290.476 3.091 20 0 CGADLP C[C@H]1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000356996043 380977797 /nfs/dbraw/zinc/97/77/97/380977797.db2.gz HDRLFEQTNIANTF-KBPBESRZSA-N 2 2 261.413 3.415 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000357431083 381154988 /nfs/dbraw/zinc/15/49/88/381154988.db2.gz AGLUOQKSVDCUBM-GUYCJALGSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000357431083 381154993 /nfs/dbraw/zinc/15/49/93/381154993.db2.gz AGLUOQKSVDCUBM-GUYCJALGSA-N 2 2 290.476 3.122 20 0 CGADLP Cc1noc(C)c1C(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000348817612 218746656 /nfs/dbraw/zinc/74/66/56/218746656.db2.gz PPHAYYGDEMKHDL-UHFFFAOYSA-N 2 2 287.407 3.452 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000361742792 381865668 /nfs/dbraw/zinc/86/56/68/381865668.db2.gz CRBHFTUDMGVPPH-OWCLPIDISA-N 2 2 296.499 3.290 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000362913138 382144549 /nfs/dbraw/zinc/14/45/49/382144549.db2.gz LHLKGXPXCRYIPJ-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000362913138 382144557 /nfs/dbraw/zinc/14/45/57/382144557.db2.gz LHLKGXPXCRYIPJ-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP Fc1ccc2cc(C[NH2+]CCCNc3cccc[nH+]3)[nH]c2c1 ZINC000362926984 382151926 /nfs/dbraw/zinc/15/19/26/382151926.db2.gz FLBQKKKYATWEIF-UHFFFAOYSA-N 2 2 298.365 3.294 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000235223305 542310871 /nfs/dbraw/zinc/31/08/71/542310871.db2.gz CXIKCNBJBZAXHP-RISCZKNCSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000235524454 542312759 /nfs/dbraw/zinc/31/27/59/542312759.db2.gz YONFNHPUZBUNOH-JSGCOSHPSA-N 2 2 258.365 3.226 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368257683 382368195 /nfs/dbraw/zinc/36/81/95/382368195.db2.gz GYWAGZHPDRNFFV-ZDUSSCGKSA-N 2 2 289.810 3.327 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368257683 382368201 /nfs/dbraw/zinc/36/82/01/382368201.db2.gz GYWAGZHPDRNFFV-ZDUSSCGKSA-N 2 2 289.810 3.327 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412911 542349979 /nfs/dbraw/zinc/34/99/79/542349979.db2.gz BEJFIPBUTNDQGX-IIYDPXPESA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412911 542349985 /nfs/dbraw/zinc/34/99/85/542349985.db2.gz BEJFIPBUTNDQGX-IIYDPXPESA-N 2 2 294.389 3.490 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423460040 532992989 /nfs/dbraw/zinc/99/29/89/532992989.db2.gz ILTHUBUOTCFLPQ-WOPDTQHZSA-N 2 2 275.421 3.196 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352843917 285037497 /nfs/dbraw/zinc/03/74/97/285037497.db2.gz DCQYCOSTXILSCX-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352843917 285037500 /nfs/dbraw/zinc/03/75/00/285037500.db2.gz DCQYCOSTXILSCX-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423400379 533000456 /nfs/dbraw/zinc/00/04/56/533000456.db2.gz VEFNPSRPIBNRAT-ABAIWWIYSA-N 2 2 266.816 3.379 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423356032 533006143 /nfs/dbraw/zinc/00/61/43/533006143.db2.gz GKMFPPQCESPHAM-HUBLWGQQSA-N 2 2 264.438 3.057 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H](c2cccnc2)C2CCC2)[nH+]c1 ZINC000280945227 195039542 /nfs/dbraw/zinc/03/95/42/195039542.db2.gz STEYFMMRLSUJEY-GOSISDBHSA-N 2 2 296.418 3.410 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358032433 533039190 /nfs/dbraw/zinc/03/91/90/533039190.db2.gz JHBCNQUOEGNLNR-UKRRQHHQSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358032433 533039199 /nfs/dbraw/zinc/03/91/99/533039199.db2.gz JHBCNQUOEGNLNR-UKRRQHHQSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358032433 533039203 /nfs/dbraw/zinc/03/92/03/533039203.db2.gz JHBCNQUOEGNLNR-UKRRQHHQSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358032433 533039205 /nfs/dbraw/zinc/03/92/05/533039205.db2.gz JHBCNQUOEGNLNR-UKRRQHHQSA-N 2 2 278.465 3.323 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@@H](F)C3)c[nH+]c12 ZINC000335372726 208305869 /nfs/dbraw/zinc/30/58/69/208305869.db2.gz OEIPZAWZJTYBLX-OLZOCXBDSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746779 220296273 /nfs/dbraw/zinc/29/62/73/220296273.db2.gz DCJVHRWFFRWOCX-VXGBXAGGSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746779 220296277 /nfs/dbraw/zinc/29/62/77/220296277.db2.gz DCJVHRWFFRWOCX-VXGBXAGGSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746779 220296278 /nfs/dbraw/zinc/29/62/78/220296278.db2.gz DCJVHRWFFRWOCX-VXGBXAGGSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746779 220296283 /nfs/dbraw/zinc/29/62/83/220296283.db2.gz DCJVHRWFFRWOCX-VXGBXAGGSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747226 220302569 /nfs/dbraw/zinc/30/25/69/220302569.db2.gz FGAOWJWHVZQDEI-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747226 220302571 /nfs/dbraw/zinc/30/25/71/220302571.db2.gz FGAOWJWHVZQDEI-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747226 220302572 /nfs/dbraw/zinc/30/25/72/220302572.db2.gz FGAOWJWHVZQDEI-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747226 220302573 /nfs/dbraw/zinc/30/25/73/220302573.db2.gz FGAOWJWHVZQDEI-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP C[N@H+](CCc1ccccn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000350395660 219012959 /nfs/dbraw/zinc/01/29/59/219012959.db2.gz UZQHJNZWTLZIGY-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP C[N@@H+](CCc1ccccn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000350395660 219012960 /nfs/dbraw/zinc/01/29/60/219012960.db2.gz UZQHJNZWTLZIGY-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP COc1ccccc1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353945207 220421994 /nfs/dbraw/zinc/42/19/94/220421994.db2.gz OKXFEBIYTJOXPN-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCCSC3)cc2)c[nH+]1 ZINC000288503081 197096364 /nfs/dbraw/zinc/09/63/64/197096364.db2.gz SCKMBYLZLPKSLP-OAHLLOKOSA-N 2 2 287.432 3.105 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC=C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423070357 533193506 /nfs/dbraw/zinc/19/35/06/533193506.db2.gz NAIOIVXYFSCRID-MSOLQXFVSA-N 2 2 288.435 3.434 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348103494 542515307 /nfs/dbraw/zinc/51/53/07/542515307.db2.gz CJJOGACUGORHCZ-OCVGTWLNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348103494 542515310 /nfs/dbraw/zinc/51/53/10/542515310.db2.gz CJJOGACUGORHCZ-OCVGTWLNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ncc[nH]1 ZINC000353442027 542557079 /nfs/dbraw/zinc/55/70/79/542557079.db2.gz CQOVPXOHNQFGBU-HNNXBMFYSA-N 2 2 298.434 3.246 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423239257 533298920 /nfs/dbraw/zinc/29/89/20/533298920.db2.gz JQWCEHNJZAJKRB-RBUKOAKNSA-N 2 2 296.414 3.362 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@@H]3C)ccc2c1 ZINC000423360866 533337100 /nfs/dbraw/zinc/33/71/00/533337100.db2.gz LRUKNXBMGLWVAH-NJSLBKSFSA-N 2 2 298.430 3.497 20 0 CGADLP C[C@@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000423433937 533325753 /nfs/dbraw/zinc/32/57/53/533325753.db2.gz COSZQOFTVSQMCH-NWDGAFQWSA-N 2 2 290.357 3.380 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423314465 533430232 /nfs/dbraw/zinc/43/02/32/533430232.db2.gz HHMSUSGCQGPKEY-OQPBUACISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1 ZINC000367368117 533467646 /nfs/dbraw/zinc/46/76/46/533467646.db2.gz QIIOVKQLWONJGJ-GFCCVEGCSA-N 2 2 273.355 3.209 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(C)c1O ZINC000368586219 533593666 /nfs/dbraw/zinc/59/36/66/533593666.db2.gz XCJROYFQAVFPIH-UHFFFAOYSA-N 2 2 288.435 3.069 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423530051 533537316 /nfs/dbraw/zinc/53/73/16/533537316.db2.gz PCFPVOPOLCFAMK-RDTXWAMCSA-N 3 2 298.434 3.040 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229789 542606492 /nfs/dbraw/zinc/60/64/92/542606492.db2.gz IGTMHMXVZWJCEV-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229789 542606495 /nfs/dbraw/zinc/60/64/95/542606495.db2.gz IGTMHMXVZWJCEV-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000396629284 542616737 /nfs/dbraw/zinc/61/67/37/542616737.db2.gz ZHOCNOUNPMNRJX-ZFWWWQNUSA-N 2 2 285.391 3.090 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438230 542608769 /nfs/dbraw/zinc/60/87/69/542608769.db2.gz NAYPYBWHABAWMR-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438230 542608770 /nfs/dbraw/zinc/60/87/70/542608770.db2.gz NAYPYBWHABAWMR-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071206138 392188377 /nfs/dbraw/zinc/18/83/77/392188377.db2.gz STUDCFYZDWONDG-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071206138 392188382 /nfs/dbraw/zinc/18/83/82/392188382.db2.gz STUDCFYZDWONDG-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000361758283 392315029 /nfs/dbraw/zinc/31/50/29/392315029.db2.gz AFLVFRZMKMDYBT-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361758283 392315031 /nfs/dbraw/zinc/31/50/31/392315031.db2.gz AFLVFRZMKMDYBT-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP COCC1(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCC1 ZINC000361318559 392278954 /nfs/dbraw/zinc/27/89/54/392278954.db2.gz NHLPPDHQZPDQSP-ZACQAIPSSA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCC1 ZINC000361318559 392278959 /nfs/dbraw/zinc/27/89/59/392278959.db2.gz NHLPPDHQZPDQSP-ZACQAIPSSA-N 2 2 294.483 3.140 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)oc1C ZINC000282070241 392280636 /nfs/dbraw/zinc/28/06/36/392280636.db2.gz HBNBLQLVVXEKKJ-GFCCVEGCSA-N 2 2 262.397 3.174 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361834558 392337822 /nfs/dbraw/zinc/33/78/22/392337822.db2.gz UYMINHXNLLJOIJ-OAHLLOKOSA-N 2 2 269.392 3.413 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361834558 392337827 /nfs/dbraw/zinc/33/78/27/392337827.db2.gz UYMINHXNLLJOIJ-OAHLLOKOSA-N 2 2 269.392 3.413 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361929786 392366402 /nfs/dbraw/zinc/36/64/02/392366402.db2.gz ZSYXKQNSKJWRPO-FCEWJHQRSA-N 2 2 298.430 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361929786 392366408 /nfs/dbraw/zinc/36/64/08/392366408.db2.gz ZSYXKQNSKJWRPO-FCEWJHQRSA-N 2 2 298.430 3.321 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CC1(C)CCC1 ZINC000447725103 542671596 /nfs/dbraw/zinc/67/15/96/542671596.db2.gz BBLQGSBAUBRJMP-UHFFFAOYSA-N 2 2 287.451 3.349 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2F)CC1 ZINC000109786573 392375706 /nfs/dbraw/zinc/37/57/06/392375706.db2.gz NSTOPGXAXXKABS-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC000109786573 392375712 /nfs/dbraw/zinc/37/57/12/392375712.db2.gz NSTOPGXAXXKABS-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000453395252 542682491 /nfs/dbraw/zinc/68/24/91/542682491.db2.gz UCPPHDPJHUXMTC-DOTOQJQBSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000453395252 542682493 /nfs/dbraw/zinc/68/24/93/542682493.db2.gz UCPPHDPJHUXMTC-DOTOQJQBSA-N 2 2 299.418 3.162 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000361973374 392378586 /nfs/dbraw/zinc/37/85/86/392378586.db2.gz WVXDWZTYWCLFDP-HOTGVXAUSA-N 2 2 296.455 3.304 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361968008 392379082 /nfs/dbraw/zinc/37/90/82/392379082.db2.gz YDXDRSSGAWMEDN-DLBZAZTESA-N 2 2 290.476 3.009 20 0 CGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362026509 392391735 /nfs/dbraw/zinc/39/17/35/392391735.db2.gz MYAJPUQPRARDEK-FUHWJXTLSA-N 2 2 299.418 3.171 20 0 CGADLP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000124241608 392433760 /nfs/dbraw/zinc/43/37/60/392433760.db2.gz VTBROCXOXGPEHG-ZDUSSCGKSA-N 2 2 287.382 3.213 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000367065162 392464816 /nfs/dbraw/zinc/46/48/16/392464816.db2.gz HCQPMQGJCJQCKR-GOEBONIOSA-N 2 2 275.440 3.038 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435391 392476478 /nfs/dbraw/zinc/47/64/78/392476478.db2.gz BRZKVORIGGHXSY-KSSFIOAISA-N 2 2 299.418 3.085 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439248 392476656 /nfs/dbraw/zinc/47/66/56/392476656.db2.gz SMIZERLPVKSVQG-UGSOOPFHSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368105158 392486695 /nfs/dbraw/zinc/48/66/95/392486695.db2.gz OQQZJEYWKNJGOV-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368105158 392486698 /nfs/dbraw/zinc/48/66/98/392486698.db2.gz OQQZJEYWKNJGOV-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000368101939 392487128 /nfs/dbraw/zinc/48/71/28/392487128.db2.gz LUYULPXGPJTWKV-KBPBESRZSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000368101939 392487132 /nfs/dbraw/zinc/48/71/32/392487132.db2.gz LUYULPXGPJTWKV-KBPBESRZSA-N 2 2 273.355 3.147 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372724130 392629679 /nfs/dbraw/zinc/62/96/79/392629679.db2.gz DLYJSTATDVLFEV-CQSZACIVSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372724130 392629684 /nfs/dbraw/zinc/62/96/84/392629684.db2.gz DLYJSTATDVLFEV-CQSZACIVSA-N 2 2 281.469 3.368 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000372781985 392635260 /nfs/dbraw/zinc/63/52/60/392635260.db2.gz PXFJAOVALXFARV-HALDLXJZSA-N 2 2 275.440 3.176 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000647291358 392642714 /nfs/dbraw/zinc/64/27/14/392642714.db2.gz NEMMETIZDYWROF-JLSDUUJJSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000647291358 392642719 /nfs/dbraw/zinc/64/27/19/392642719.db2.gz NEMMETIZDYWROF-JLSDUUJJSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553906 392767766 /nfs/dbraw/zinc/76/77/66/392767766.db2.gz MUDPQEAYRHFFOF-QGZVFWFLSA-N 2 2 288.435 3.238 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479401 392735322 /nfs/dbraw/zinc/73/53/22/392735322.db2.gz FYQXGHDVHLKCLU-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479401 392735329 /nfs/dbraw/zinc/73/53/29/392735329.db2.gz FYQXGHDVHLKCLU-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)(C)c1ncc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482949 392737403 /nfs/dbraw/zinc/73/74/03/392737403.db2.gz MHNYKDVHXNYPJL-UHFFFAOYSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1ncc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482949 392737405 /nfs/dbraw/zinc/73/74/05/392737405.db2.gz MHNYKDVHXNYPJL-UHFFFAOYSA-N 2 2 293.480 3.157 20 0 CGADLP c1oc(-c2ccccc2)nc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483078 392739006 /nfs/dbraw/zinc/73/90/06/392739006.db2.gz XGHUGUYETXXHMM-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP c1oc(-c2ccccc2)nc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483078 392739008 /nfs/dbraw/zinc/73/90/08/392739008.db2.gz XGHUGUYETXXHMM-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)CCC2 ZINC000334831108 392753259 /nfs/dbraw/zinc/75/32/59/392753259.db2.gz LXFFZHSODINTMJ-UONOGXRCSA-N 2 2 261.413 3.237 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533877 392754440 /nfs/dbraw/zinc/75/44/40/392754440.db2.gz ZSDSUSCETQZPLC-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533877 392754444 /nfs/dbraw/zinc/75/44/44/392754444.db2.gz ZSDSUSCETQZPLC-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1cccc(Cl)c1 ZINC000647534958 392755792 /nfs/dbraw/zinc/75/57/92/392755792.db2.gz ZHRSMRYBFJVATC-IOASZLSFSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)c1cccc(Cl)c1 ZINC000647534958 392755799 /nfs/dbraw/zinc/75/57/99/392755799.db2.gz ZHRSMRYBFJVATC-IOASZLSFSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356394 392703405 /nfs/dbraw/zinc/70/34/05/392703405.db2.gz LRPLXUSZQGOONH-RDHIYWLCSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356394 392703413 /nfs/dbraw/zinc/70/34/13/392703413.db2.gz LRPLXUSZQGOONH-RDHIYWLCSA-N 2 2 299.462 3.070 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CC(C(C)C)C3)cn21 ZINC000647363750 392707740 /nfs/dbraw/zinc/70/77/40/392707740.db2.gz JCZUGCPWPOQBDG-UHFFFAOYSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc(F)cn3)cn21 ZINC000647363783 392707767 /nfs/dbraw/zinc/70/77/67/392707767.db2.gz JZHRIHMIMVWIIY-CYBMUJFWSA-N 2 2 298.365 3.070 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365050 392707878 /nfs/dbraw/zinc/70/78/78/392707878.db2.gz XRJCDLYKOUFJLE-OCCSQVGLSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C3CCCC3)cn21 ZINC000647364726 392708459 /nfs/dbraw/zinc/70/84/59/392708459.db2.gz KGLWNRACBWPNLF-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187840423 392794597 /nfs/dbraw/zinc/79/45/97/392794597.db2.gz IRZMHFAJMRLMAZ-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187840423 392794603 /nfs/dbraw/zinc/79/46/03/392794603.db2.gz IRZMHFAJMRLMAZ-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP c1nc(C2CC2)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000486987002 542710205 /nfs/dbraw/zinc/71/02/05/542710205.db2.gz ZRQHRVLYILLYGB-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924838 392834722 /nfs/dbraw/zinc/83/47/22/392834722.db2.gz OLUJGGFTBOLVQV-CQSZACIVSA-N 2 2 268.351 3.229 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514829178 392858690 /nfs/dbraw/zinc/85/86/90/392858690.db2.gz ZWNJVIXAMZQSRQ-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514829178 392858698 /nfs/dbraw/zinc/85/86/98/392858698.db2.gz ZWNJVIXAMZQSRQ-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151036 392869182 /nfs/dbraw/zinc/86/91/82/392869182.db2.gz PSRLTJMYVLIBOH-YOEHRIQHSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151036 392869190 /nfs/dbraw/zinc/86/91/90/392869190.db2.gz PSRLTJMYVLIBOH-YOEHRIQHSA-N 2 2 298.434 3.113 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494440054 542720663 /nfs/dbraw/zinc/72/06/63/542720663.db2.gz WMGBNGUGSNSLBQ-HUUCEWRRSA-N 2 2 263.429 3.394 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CN(C)Cc3ccccc32)c[nH+]1 ZINC000526984046 542741604 /nfs/dbraw/zinc/74/16/04/542741604.db2.gz DEVRQMAAHKJCIR-IBGZPJMESA-N 2 2 295.430 3.099 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@@H]1C ZINC000459673394 392949618 /nfs/dbraw/zinc/94/96/18/392949618.db2.gz YQPBJSWKHUKBKW-LZWOXQAQSA-N 2 2 263.429 3.013 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(c4ccccc4)CC3)c[nH+]c12 ZINC000525696360 392946601 /nfs/dbraw/zinc/94/66/01/392946601.db2.gz JYOZVBROUNHIRK-UHFFFAOYSA-N 2 2 277.371 3.422 20 0 CGADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000536021231 542751545 /nfs/dbraw/zinc/75/15/45/542751545.db2.gz BPHHNZYLAANGNC-INIZCTEOSA-N 2 2 295.411 3.317 20 0 CGADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000536021231 542751548 /nfs/dbraw/zinc/75/15/48/542751548.db2.gz BPHHNZYLAANGNC-INIZCTEOSA-N 2 2 295.411 3.317 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000648366921 392984325 /nfs/dbraw/zinc/98/43/25/392984325.db2.gz MHZDCYVGRZXGPA-CQSZACIVSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000648366921 392984334 /nfs/dbraw/zinc/98/43/34/392984334.db2.gz MHZDCYVGRZXGPA-CQSZACIVSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000545875587 393011955 /nfs/dbraw/zinc/01/19/55/393011955.db2.gz MSXKDGZBNTXMNT-UHFFFAOYSA-N 2 2 284.447 3.483 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000545875587 393011959 /nfs/dbraw/zinc/01/19/59/393011959.db2.gz MSXKDGZBNTXMNT-UHFFFAOYSA-N 2 2 284.447 3.483 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000226564880 393015658 /nfs/dbraw/zinc/01/56/58/393015658.db2.gz LQDIMJLLIBVNPP-ULQDDVLXSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000226564880 393015665 /nfs/dbraw/zinc/01/56/65/393015665.db2.gz LQDIMJLLIBVNPP-ULQDDVLXSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000648449101 393022031 /nfs/dbraw/zinc/02/20/31/393022031.db2.gz OAQVZTHGGCYPMX-YOEHRIQHSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000648449101 393022037 /nfs/dbraw/zinc/02/20/37/393022037.db2.gz OAQVZTHGGCYPMX-YOEHRIQHSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC[N@@H+]1C ZINC000346784446 393094293 /nfs/dbraw/zinc/09/42/93/393094293.db2.gz BMBXUPWIDNDUOA-SNPRPXQTSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC[N@H+]1C ZINC000346784446 393094301 /nfs/dbraw/zinc/09/43/01/393094301.db2.gz BMBXUPWIDNDUOA-SNPRPXQTSA-N 2 2 276.424 3.365 20 0 CGADLP CCN(CC[NH+]1CCCCCC1)Cc1[nH+]ccn1C(C)C ZINC000347297526 393101462 /nfs/dbraw/zinc/10/14/62/393101462.db2.gz WDCQAFJUPWVGHF-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414952608 393061246 /nfs/dbraw/zinc/06/12/46/393061246.db2.gz KROJBJCKBOWQMP-ZANVPECISA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414957937 393064540 /nfs/dbraw/zinc/06/45/40/393064540.db2.gz RKBINMBVWPHODY-KBXCAEBGSA-N 2 2 288.435 3.238 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415037630 393107386 /nfs/dbraw/zinc/10/73/86/393107386.db2.gz GWTBQKMYJDNOEV-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415037630 393107392 /nfs/dbraw/zinc/10/73/92/393107392.db2.gz GWTBQKMYJDNOEV-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414978471 393076812 /nfs/dbraw/zinc/07/68/12/393076812.db2.gz TUOCGBANJZKSPU-LBPRGKRZSA-N 2 2 260.406 3.113 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415050407 393112484 /nfs/dbraw/zinc/11/24/84/393112484.db2.gz CIOJASWHVATAJQ-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP Clc1sccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053494 393115602 /nfs/dbraw/zinc/11/56/02/393115602.db2.gz OSFKLDGCHCJBFI-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053494 393115607 /nfs/dbraw/zinc/11/56/07/393115607.db2.gz OSFKLDGCHCJBFI-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCC[NH2+]C2CC2)c(Cl)c1 ZINC000415063757 393124304 /nfs/dbraw/zinc/12/43/04/393124304.db2.gz AUEGWUWLDLUDIH-UHFFFAOYSA-N 2 2 270.779 3.019 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000348433788 393125365 /nfs/dbraw/zinc/12/53/65/393125365.db2.gz WGTDUTPLMYHUGH-XBVQOTNRSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000348433788 393125369 /nfs/dbraw/zinc/12/53/69/393125369.db2.gz WGTDUTPLMYHUGH-XBVQOTNRSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415090580 393140951 /nfs/dbraw/zinc/14/09/51/393140951.db2.gz YBSCYUWNMWHDGZ-NEPJUHHUSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CC[NH2+]C1 ZINC000415088394 393141050 /nfs/dbraw/zinc/14/10/50/393141050.db2.gz XJJLDIICOBLUGL-GRYCIOLGSA-N 2 2 281.469 3.089 20 0 CGADLP COc1ccccc1[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415091545 393142238 /nfs/dbraw/zinc/14/22/38/393142238.db2.gz QRWXQOFVFZIHTQ-LJQANCHMSA-N 2 2 296.414 3.126 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000415111960 393146996 /nfs/dbraw/zinc/14/69/96/393146996.db2.gz RPUGNGCPHKGXDD-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000415111960 393146998 /nfs/dbraw/zinc/14/69/98/393146998.db2.gz RPUGNGCPHKGXDD-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP C[C@H](C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000415120355 393150451 /nfs/dbraw/zinc/15/04/51/393150451.db2.gz GSCAKWXEZNGCGV-DKSSEZFCSA-N 2 2 298.405 3.356 20 0 CGADLP C[C@H](C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000415120355 393150455 /nfs/dbraw/zinc/15/04/55/393150455.db2.gz GSCAKWXEZNGCGV-DKSSEZFCSA-N 2 2 298.405 3.356 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000415126287 393152825 /nfs/dbraw/zinc/15/28/25/393152825.db2.gz GHEYTXQUWKUOJL-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000415126287 393152830 /nfs/dbraw/zinc/15/28/30/393152830.db2.gz GHEYTXQUWKUOJL-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000353208123 393215551 /nfs/dbraw/zinc/21/55/51/393215551.db2.gz JWGMOCVWVYPTLJ-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000353208123 393215556 /nfs/dbraw/zinc/21/55/56/393215556.db2.gz JWGMOCVWVYPTLJ-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595144 393293813 /nfs/dbraw/zinc/29/38/13/393293813.db2.gz KEXGJPDYYBMXQH-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595144 393293819 /nfs/dbraw/zinc/29/38/19/393293819.db2.gz KEXGJPDYYBMXQH-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1F ZINC000275595144 393293824 /nfs/dbraw/zinc/29/38/24/393293824.db2.gz KEXGJPDYYBMXQH-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000275595144 393293826 /nfs/dbraw/zinc/29/38/26/393293826.db2.gz KEXGJPDYYBMXQH-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)c[nH+]1 ZINC000356255728 393397105 /nfs/dbraw/zinc/39/71/05/393397105.db2.gz IYFSUVKHHVIETG-LBPRGKRZSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@@H](C)C2)c[nH+]1 ZINC000356255728 393397112 /nfs/dbraw/zinc/39/71/12/393397112.db2.gz IYFSUVKHHVIETG-LBPRGKRZSA-N 2 2 268.351 3.300 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000474705119 393343023 /nfs/dbraw/zinc/34/30/23/393343023.db2.gz CBHOQTGKLRHFMD-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000474705119 393343028 /nfs/dbraw/zinc/34/30/28/393343028.db2.gz CBHOQTGKLRHFMD-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP CSC1(C[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000356182653 393370987 /nfs/dbraw/zinc/37/09/87/393370987.db2.gz IRXLXARNRMDUED-HNNXBMFYSA-N 2 2 282.497 3.126 20 0 CGADLP CSC1(C[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000356182653 393370994 /nfs/dbraw/zinc/37/09/94/393370994.db2.gz IRXLXARNRMDUED-HNNXBMFYSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415941 393415086 /nfs/dbraw/zinc/41/50/86/393415086.db2.gz CCCAHMIKLKFBMF-ZDUSSCGKSA-N 2 2 285.391 3.216 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@H]1[NH3+] ZINC000649416715 393416679 /nfs/dbraw/zinc/41/66/79/393416679.db2.gz JKWGMJLDTJEFOA-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@H]1[NH3+] ZINC000649416715 393416683 /nfs/dbraw/zinc/41/66/83/393416683.db2.gz JKWGMJLDTJEFOA-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647262108 393421336 /nfs/dbraw/zinc/42/13/36/393421336.db2.gz AKACDDXIXHUEEE-UHFFFAOYSA-N 2 2 279.387 3.283 20 0 CGADLP CCCOc1cccc2c(NCCCC[NH3+])cc[nH+]c12 ZINC000420233938 393441525 /nfs/dbraw/zinc/44/15/25/393441525.db2.gz NBDDCNCUMFILEQ-UHFFFAOYSA-N 2 2 273.380 3.174 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2n1 ZINC000427856956 393457395 /nfs/dbraw/zinc/45/73/95/393457395.db2.gz HLUZVFXPCIHWNH-DZGCQCFKSA-N 2 2 292.386 3.097 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2Oc2ccccc2)CCC1 ZINC000420303991 393458156 /nfs/dbraw/zinc/45/81/56/393458156.db2.gz IFOMFORVUNLVPU-UHFFFAOYSA-N 2 2 282.387 3.450 20 0 CGADLP CC(C)CCC[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000429062649 393468403 /nfs/dbraw/zinc/46/84/03/393468403.db2.gz UZLFAAWVTGOKIQ-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)CCC[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000429062649 393468410 /nfs/dbraw/zinc/46/84/10/393468410.db2.gz UZLFAAWVTGOKIQ-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)c1cc(C[N@H+](CCC[NH3+])CC2CCCC2)no1 ZINC000420324077 393468859 /nfs/dbraw/zinc/46/88/59/393468859.db2.gz YWIFCQXLKCUOSG-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)no1 ZINC000420324077 393468862 /nfs/dbraw/zinc/46/88/62/393468862.db2.gz YWIFCQXLKCUOSG-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000420344848 393470785 /nfs/dbraw/zinc/47/07/85/393470785.db2.gz UUVQXHFDXWNIKM-RBUKOAKNSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2cc(CC[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000420344848 393470793 /nfs/dbraw/zinc/47/07/93/393470793.db2.gz UUVQXHFDXWNIKM-RBUKOAKNSA-N 2 2 280.415 3.066 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420369852 393476660 /nfs/dbraw/zinc/47/66/60/393476660.db2.gz JCWWVGRBIYFXAX-NSHDSACASA-N 2 2 284.856 3.244 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)[nH+]1 ZINC000649386238 393409916 /nfs/dbraw/zinc/40/99/16/393409916.db2.gz WZVPDIOBLNWUEH-UHFFFAOYSA-N 2 2 297.402 3.331 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000356289463 393409886 /nfs/dbraw/zinc/40/98/86/393409886.db2.gz ARWIVULRFRIZEQ-AAEUAGOBSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000356289463 393409890 /nfs/dbraw/zinc/40/98/90/393409890.db2.gz ARWIVULRFRIZEQ-AAEUAGOBSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000356289463 393409894 /nfs/dbraw/zinc/40/98/94/393409894.db2.gz ARWIVULRFRIZEQ-AAEUAGOBSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000356289463 393409898 /nfs/dbraw/zinc/40/98/98/393409898.db2.gz ARWIVULRFRIZEQ-AAEUAGOBSA-N 2 2 284.494 3.242 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000488563730 393539981 /nfs/dbraw/zinc/53/99/81/393539981.db2.gz UPKNXJJEMYNNSI-JLSDUUJJSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000488563730 393539985 /nfs/dbraw/zinc/53/99/85/393539985.db2.gz UPKNXJJEMYNNSI-JLSDUUJJSA-N 2 2 272.436 3.143 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)o2)cc1 ZINC000420411593 393484463 /nfs/dbraw/zinc/48/44/63/393484463.db2.gz RXEZKUGLRNARCS-GOEBONIOSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)o2)cc1 ZINC000420411593 393484468 /nfs/dbraw/zinc/48/44/68/393484468.db2.gz RXEZKUGLRNARCS-GOEBONIOSA-N 2 2 299.418 3.067 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649574248 393493757 /nfs/dbraw/zinc/49/37/57/393493757.db2.gz FIZXLEJYZVADKI-LSDHHAIUSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649574248 393493759 /nfs/dbraw/zinc/49/37/59/393493759.db2.gz FIZXLEJYZVADKI-LSDHHAIUSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962643 393504364 /nfs/dbraw/zinc/50/43/64/393504364.db2.gz GFFKLGNZHLORTF-FGTMMUONSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962643 393504368 /nfs/dbraw/zinc/50/43/68/393504368.db2.gz GFFKLGNZHLORTF-FGTMMUONSA-N 2 2 294.483 3.142 20 0 CGADLP c1cn(CC[NH+]2CCC3(CCc4ccccc4C3)CC2)c[nH+]1 ZINC000649647641 393524669 /nfs/dbraw/zinc/52/46/69/393524669.db2.gz UUKJGCRVBWKCHH-UHFFFAOYSA-N 2 2 295.430 3.154 20 0 CGADLP CC(C)[NH+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000420947709 393552364 /nfs/dbraw/zinc/55/23/64/393552364.db2.gz OPAJAJSTJVVFDN-UHFFFAOYSA-N 2 2 290.451 3.138 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000430546522 393572978 /nfs/dbraw/zinc/57/29/78/393572978.db2.gz CTBOSRWUEWZWDI-CQSZACIVSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000430546522 393572981 /nfs/dbraw/zinc/57/29/81/393572981.db2.gz CTBOSRWUEWZWDI-CQSZACIVSA-N 2 2 293.436 3.208 20 0 CGADLP c1c2ccccc2sc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768993 542814087 /nfs/dbraw/zinc/81/40/87/542814087.db2.gz PYJGXSFDSSZWMN-CYBMUJFWSA-N 2 2 260.406 3.133 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430573905 393579046 /nfs/dbraw/zinc/57/90/46/393579046.db2.gz ROPMTKGWPAPMGI-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430573905 393579051 /nfs/dbraw/zinc/57/90/51/393579051.db2.gz ROPMTKGWPAPMGI-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000360887055 393607418 /nfs/dbraw/zinc/60/74/18/393607418.db2.gz VERYRQQZIMUPSK-APWZRJJASA-N 2 2 296.414 3.414 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000360887055 393607422 /nfs/dbraw/zinc/60/74/22/393607422.db2.gz VERYRQQZIMUPSK-APWZRJJASA-N 2 2 296.414 3.414 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000432791873 393641364 /nfs/dbraw/zinc/64/13/64/393641364.db2.gz IKPFJSODAHCSBW-CYBMUJFWSA-N 2 2 281.469 3.183 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000432791873 393641366 /nfs/dbraw/zinc/64/13/66/393641366.db2.gz IKPFJSODAHCSBW-CYBMUJFWSA-N 2 2 281.469 3.183 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908981 393646299 /nfs/dbraw/zinc/64/62/99/393646299.db2.gz DZXMFMJQOVWRCX-KNPMLCFXSA-N 2 2 296.842 3.146 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)F ZINC000424381343 393683179 /nfs/dbraw/zinc/68/31/79/393683179.db2.gz YPPQFVVTPXYLGW-CYZMBNFOSA-N 2 2 284.350 3.209 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229388 393655131 /nfs/dbraw/zinc/65/51/31/393655131.db2.gz BCOYDOZKJGQLJS-RHSMWYFYSA-N 2 2 288.435 3.365 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000491054582 393664688 /nfs/dbraw/zinc/66/46/88/393664688.db2.gz QRNYVICWPYGCCB-HOCLYGCPSA-N 2 2 280.481 3.343 20 0 CGADLP C[C@H]1COCC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442880656 393740450 /nfs/dbraw/zinc/74/04/50/393740450.db2.gz XREFQQLVDITGBP-IRXDYDNUSA-N 2 2 294.483 3.047 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443208421 393749496 /nfs/dbraw/zinc/74/94/96/393749496.db2.gz BHWYVGZRYGDGPS-YQQAZPJKSA-N 2 2 278.440 3.001 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000666948191 542828059 /nfs/dbraw/zinc/82/80/59/542828059.db2.gz UREOXHCMZMMMSZ-YHUYYLMFSA-N 2 2 296.817 3.266 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998270 542834642 /nfs/dbraw/zinc/83/46/42/542834642.db2.gz KRFWXJUJMJMNSY-LLVKDONJSA-N 2 2 282.790 3.243 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)[nH]1 ZINC000450566402 394019681 /nfs/dbraw/zinc/01/96/81/394019681.db2.gz LEFPGPFSZFCSRZ-BBBYJDLNSA-N 2 2 259.397 3.169 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)[nH]1 ZINC000450566402 394019684 /nfs/dbraw/zinc/01/96/84/394019684.db2.gz LEFPGPFSZFCSRZ-BBBYJDLNSA-N 2 2 259.397 3.169 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000450339815 393994888 /nfs/dbraw/zinc/99/48/88/393994888.db2.gz BZMVMQRVCPHHGV-LSDHHAIUSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000450339815 393994895 /nfs/dbraw/zinc/99/48/95/393994895.db2.gz BZMVMQRVCPHHGV-LSDHHAIUSA-N 2 2 286.410 3.372 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640435 394033027 /nfs/dbraw/zinc/03/30/27/394033027.db2.gz MDEZFZPISCLRMM-PMPSAXMXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640435 394033031 /nfs/dbraw/zinc/03/30/31/394033031.db2.gz MDEZFZPISCLRMM-PMPSAXMXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640435 394033037 /nfs/dbraw/zinc/03/30/37/394033037.db2.gz MDEZFZPISCLRMM-PMPSAXMXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640435 394033040 /nfs/dbraw/zinc/03/30/40/394033040.db2.gz MDEZFZPISCLRMM-PMPSAXMXSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+](Cc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667485463 542875932 /nfs/dbraw/zinc/87/59/32/542875932.db2.gz UCEDYKUZZIEQHL-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP CC[N@@H+](Cc1cccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667485463 542875934 /nfs/dbraw/zinc/87/59/34/542875934.db2.gz UCEDYKUZZIEQHL-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000453125685 394180411 /nfs/dbraw/zinc/18/04/11/394180411.db2.gz JSDKLLHERKJIJR-SCDSUCTJSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cs1 ZINC000453125685 394180414 /nfs/dbraw/zinc/18/04/14/394180414.db2.gz JSDKLLHERKJIJR-SCDSUCTJSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1C ZINC000667492326 542875540 /nfs/dbraw/zinc/87/55/40/542875540.db2.gz DBHSEPCBNRFNKL-MRXNPFEDSA-N 2 2 255.365 3.066 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1C ZINC000667492326 542875542 /nfs/dbraw/zinc/87/55/42/542875542.db2.gz DBHSEPCBNRFNKL-MRXNPFEDSA-N 2 2 255.365 3.066 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)c2sccc21 ZINC000453063770 394157973 /nfs/dbraw/zinc/15/79/73/394157973.db2.gz VKYDEQAFKVMCMX-AAEUAGOBSA-N 2 2 261.394 3.173 20 0 CGADLP c1ccc(NCCC[NH2+][C@H](C2CC2)C2CCCC2)[nH+]c1 ZINC000453131995 394182900 /nfs/dbraw/zinc/18/29/00/394182900.db2.gz PVNAQOGHQNZIGX-KRWDZBQOSA-N 2 2 273.424 3.442 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453241708 394217265 /nfs/dbraw/zinc/21/72/65/394217265.db2.gz ZJWJIFBMMQEKAC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453241708 394217268 /nfs/dbraw/zinc/21/72/68/394217268.db2.gz ZJWJIFBMMQEKAC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285302 394223265 /nfs/dbraw/zinc/22/32/65/394223265.db2.gz MHKDPIOLWUHHIW-MROQNXINSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285302 394223270 /nfs/dbraw/zinc/22/32/70/394223270.db2.gz MHKDPIOLWUHHIW-MROQNXINSA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453463956 394247744 /nfs/dbraw/zinc/24/77/44/394247744.db2.gz XTSAQMKANOCPRR-DARAHFNDSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000453463956 394247749 /nfs/dbraw/zinc/24/77/49/394247749.db2.gz XTSAQMKANOCPRR-DARAHFNDSA-N 2 2 250.430 3.026 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000453145081 394187172 /nfs/dbraw/zinc/18/71/72/394187172.db2.gz REYMJLBWNLXLSP-RCBQFDQVSA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000453145081 394187174 /nfs/dbraw/zinc/18/71/74/394187174.db2.gz REYMJLBWNLXLSP-RCBQFDQVSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC([NH2+]C(C)C)CC3)cc21 ZINC000667571549 542892421 /nfs/dbraw/zinc/89/24/21/542892421.db2.gz XYZCKYNNKGORBJ-UHFFFAOYSA-N 2 2 285.435 3.439 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667600248 542895925 /nfs/dbraw/zinc/89/59/25/542895925.db2.gz PSIVRTQQRKQXQX-KRWDZBQOSA-N 2 2 299.418 3.464 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)n1C ZINC000667531304 542884450 /nfs/dbraw/zinc/88/44/50/542884450.db2.gz AFSSPCAATWJQTK-APHBMKBZSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)n1C ZINC000667531304 542884453 /nfs/dbraw/zinc/88/44/53/542884453.db2.gz AFSSPCAATWJQTK-APHBMKBZSA-N 2 2 261.413 3.129 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667600248 542895927 /nfs/dbraw/zinc/89/59/27/542895927.db2.gz PSIVRTQQRKQXQX-KRWDZBQOSA-N 2 2 299.418 3.464 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667530616 542884777 /nfs/dbraw/zinc/88/47/77/542884777.db2.gz DQPDHAOTJGZCHL-CQSZACIVSA-N 2 2 275.421 3.299 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667530616 542884779 /nfs/dbraw/zinc/88/47/79/542884779.db2.gz DQPDHAOTJGZCHL-CQSZACIVSA-N 2 2 275.421 3.299 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)n1C ZINC000667671180 542914429 /nfs/dbraw/zinc/91/44/29/542914429.db2.gz KFVDFSUOQUXFKE-WMLDXEAASA-N 2 2 283.419 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)n1C ZINC000667671180 542914430 /nfs/dbraw/zinc/91/44/30/542914430.db2.gz KFVDFSUOQUXFKE-WMLDXEAASA-N 2 2 283.419 3.182 20 0 CGADLP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000667879190 542940858 /nfs/dbraw/zinc/94/08/58/542940858.db2.gz LCLCBRLXJCPBFT-FDQGKXFDSA-N 2 2 297.402 3.090 20 0 CGADLP Cc1[nH+]cc(CNc2ccc(C[NH+](C)C)c(Cl)c2)n1C ZINC000668096050 542969617 /nfs/dbraw/zinc/96/96/17/542969617.db2.gz XIDVXFUUWXGHHL-UHFFFAOYSA-N 2 2 292.814 3.056 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)[nH]c2c1 ZINC000668172462 542980680 /nfs/dbraw/zinc/98/06/80/542980680.db2.gz OIVNVZHLVCGWKO-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)[nH]c2c1 ZINC000668172462 542980681 /nfs/dbraw/zinc/98/06/81/542980681.db2.gz OIVNVZHLVCGWKO-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)[nH]c2c1 ZINC000668172462 542980683 /nfs/dbraw/zinc/98/06/83/542980683.db2.gz OIVNVZHLVCGWKO-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)[nH]c2c1 ZINC000668172462 542980684 /nfs/dbraw/zinc/98/06/84/542980684.db2.gz OIVNVZHLVCGWKO-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)CSc2ccccc2)n1C ZINC000668281593 543000682 /nfs/dbraw/zinc/00/06/82/543000682.db2.gz ZJXSDQBQRGJFRW-CYBMUJFWSA-N 2 2 289.448 3.341 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)CSc2ccccc2)n1C ZINC000668281593 543000684 /nfs/dbraw/zinc/00/06/84/543000684.db2.gz ZJXSDQBQRGJFRW-CYBMUJFWSA-N 2 2 289.448 3.341 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000551026756 289095812 /nfs/dbraw/zinc/09/58/12/289095812.db2.gz LWNUKUVDVCJHMZ-CQSZACIVSA-N 2 2 254.805 3.188 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000671293848 543166949 /nfs/dbraw/zinc/16/69/49/543166949.db2.gz CCBKSXVHOUFBOH-GOSISDBHSA-N 2 2 272.436 3.002 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000673931037 543259254 /nfs/dbraw/zinc/25/92/54/543259254.db2.gz BBVQCFNUYDIEBY-QGZVFWFLSA-N 2 2 292.492 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000674049548 543265273 /nfs/dbraw/zinc/26/52/73/543265273.db2.gz QHCYTPCDZVMEHA-CZUORRHYSA-N 2 2 269.392 3.092 20 0 CGADLP Fc1ccccc1C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000649794874 397721812 /nfs/dbraw/zinc/72/18/12/397721812.db2.gz WMRAADWDLUWGGP-MRXNPFEDSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1ccccc1C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000649794874 397721813 /nfs/dbraw/zinc/72/18/13/397721813.db2.gz WMRAADWDLUWGGP-MRXNPFEDSA-N 2 2 287.382 3.119 20 0 CGADLP C[N@H+](CC[NH2+]C1(C2CCC2)CC1)Cc1ccccc1 ZINC000649811078 397725616 /nfs/dbraw/zinc/72/56/16/397725616.db2.gz DPLXWXZSZLDWEX-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+]C1(C2CCC2)CC1)Cc1ccccc1 ZINC000649811078 397725619 /nfs/dbraw/zinc/72/56/19/397725619.db2.gz DPLXWXZSZLDWEX-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534460 397685371 /nfs/dbraw/zinc/68/53/71/397685371.db2.gz GTHCFTPHTIYOAU-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534460 397685372 /nfs/dbraw/zinc/68/53/72/397685372.db2.gz GTHCFTPHTIYOAU-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000562838205 397712248 /nfs/dbraw/zinc/71/22/48/397712248.db2.gz NHTUSLZQERXSTR-LLVKDONJSA-N 2 2 279.334 3.487 20 0 CGADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCc2ccc(F)cc21 ZINC000649894803 397746168 /nfs/dbraw/zinc/74/61/68/397746168.db2.gz VCWMBVHFGBHRPS-AWEZNQCLSA-N 2 2 287.382 3.074 20 0 CGADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCc2ccc(F)cc21 ZINC000649894803 397746173 /nfs/dbraw/zinc/74/61/73/397746173.db2.gz VCWMBVHFGBHRPS-AWEZNQCLSA-N 2 2 287.382 3.074 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2ccsc21)[C@H]1CCC[NH2+]1 ZINC000650740421 397904523 /nfs/dbraw/zinc/90/45/23/397904523.db2.gz MCZLYYMLFOCDLJ-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766917 543362120 /nfs/dbraw/zinc/36/21/20/543362120.db2.gz QSNFHMJUPCWUKH-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766917 543362123 /nfs/dbraw/zinc/36/21/23/543362123.db2.gz QSNFHMJUPCWUKH-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766712 543362327 /nfs/dbraw/zinc/36/23/27/543362327.db2.gz OITSFJFLOGKOOY-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766712 543362329 /nfs/dbraw/zinc/36/23/29/543362329.db2.gz OITSFJFLOGKOOY-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802061 543366455 /nfs/dbraw/zinc/36/64/55/543366455.db2.gz HRANLSLQRUBFKK-QAPCUYQASA-N 2 2 296.414 3.317 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802061 543366456 /nfs/dbraw/zinc/36/64/56/543366456.db2.gz HRANLSLQRUBFKK-QAPCUYQASA-N 2 2 296.414 3.317 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000675732882 543358694 /nfs/dbraw/zinc/35/86/94/543358694.db2.gz MFVWKIXUWQHMGH-QFBILLFUSA-N 2 2 286.463 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000675732882 543358695 /nfs/dbraw/zinc/35/86/95/543358695.db2.gz MFVWKIXUWQHMGH-QFBILLFUSA-N 2 2 286.463 3.308 20 0 CGADLP CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805833 543466807 /nfs/dbraw/zinc/46/68/07/543466807.db2.gz QNUYLEDGLBIYQR-GOEBONIOSA-N 2 2 260.425 3.428 20 0 CGADLP CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805833 543466808 /nfs/dbraw/zinc/46/68/08/543466808.db2.gz QNUYLEDGLBIYQR-GOEBONIOSA-N 2 2 260.425 3.428 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000678113931 543484252 /nfs/dbraw/zinc/48/42/52/543484252.db2.gz OOLHUQSLSZDMQW-IJEWVQPXSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000678113931 543484254 /nfs/dbraw/zinc/48/42/54/543484254.db2.gz OOLHUQSLSZDMQW-IJEWVQPXSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000678113932 543484332 /nfs/dbraw/zinc/48/43/32/543484332.db2.gz OOLHUQSLSZDMQW-YCPHGPKFSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000678113932 543484334 /nfs/dbraw/zinc/48/43/34/543484334.db2.gz OOLHUQSLSZDMQW-YCPHGPKFSA-N 2 2 258.409 3.227 20 0 CGADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235505 543498786 /nfs/dbraw/zinc/49/87/86/543498786.db2.gz VDGBZTHXAFLTCE-IMXKFXGHSA-N 2 2 297.402 3.242 20 0 CGADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235505 543498788 /nfs/dbraw/zinc/49/87/88/543498788.db2.gz VDGBZTHXAFLTCE-IMXKFXGHSA-N 2 2 297.402 3.242 20 0 CGADLP CCC1(O)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000678498052 543531816 /nfs/dbraw/zinc/53/18/16/543531816.db2.gz DJZBRFPTFWSEDB-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000678773133 543556659 /nfs/dbraw/zinc/55/66/59/543556659.db2.gz ULNKFIZAVSWBLV-OAHLLOKOSA-N 2 2 294.826 3.238 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000554074398 289255602 /nfs/dbraw/zinc/25/56/02/289255602.db2.gz WRPFOVISBQWMDL-NUEKZKHPSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000554074398 289255607 /nfs/dbraw/zinc/25/56/07/289255607.db2.gz WRPFOVISBQWMDL-NUEKZKHPSA-N 2 2 264.457 3.418 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000036996722 286370143 /nfs/dbraw/zinc/37/01/43/286370143.db2.gz CVJPDNMNBFYHAI-APHBMKBZSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000036996722 286370146 /nfs/dbraw/zinc/37/01/46/286370146.db2.gz CVJPDNMNBFYHAI-APHBMKBZSA-N 2 2 292.398 3.112 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340244579 292339594 /nfs/dbraw/zinc/33/95/94/292339594.db2.gz BQFRKNCGYOAYLQ-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340244579 292339595 /nfs/dbraw/zinc/33/95/95/292339595.db2.gz BQFRKNCGYOAYLQ-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266054 289580849 /nfs/dbraw/zinc/58/08/49/289580849.db2.gz DINLGAMKNYGNTH-CABCVRRESA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]CC[NH+](C)C)ccc2c1 ZINC000019510483 286882486 /nfs/dbraw/zinc/88/24/86/286882486.db2.gz MTQZEFDUBQHJTB-CYBMUJFWSA-N 2 2 272.392 3.061 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1Br ZINC000423287013 286902804 /nfs/dbraw/zinc/90/28/04/286902804.db2.gz JWIVQYFJHUZRPF-GFCCVEGCSA-N 2 2 285.229 3.227 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069382322 286983631 /nfs/dbraw/zinc/98/36/31/286983631.db2.gz PPXVNGKRYIPXLS-KBPBESRZSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422791105 287049822 /nfs/dbraw/zinc/04/98/22/287049822.db2.gz VJASZXOJADVIEQ-SUNKGSAMSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)CO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000085401439 287081995 /nfs/dbraw/zinc/08/19/95/287081995.db2.gz FMXZBKKZWHQUBI-HOTGVXAUSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1Cl ZINC000088781126 287087864 /nfs/dbraw/zinc/08/78/64/287087864.db2.gz DEEBOTJFIYYLQZ-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1Cl ZINC000088781126 287087867 /nfs/dbraw/zinc/08/78/67/287087867.db2.gz DEEBOTJFIYYLQZ-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000079706256 165150424 /nfs/dbraw/zinc/15/04/24/165150424.db2.gz KWMQEGMKNLDZAI-DLBZAZTESA-N 2 2 278.440 3.084 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000091262843 287107233 /nfs/dbraw/zinc/10/72/33/287107233.db2.gz RFQRROUKKWPZSW-GFCCVEGCSA-N 2 2 268.832 3.201 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccnc2)[NH+](C)C)cc1 ZINC000092742589 165312050 /nfs/dbraw/zinc/31/20/50/165312050.db2.gz JYKBTYWUSDDFQV-CRAIPNDOSA-N 2 2 283.419 3.344 20 0 CGADLP Clc1c[nH+]ccc1NCC[NH+]1CCCCCC1 ZINC000094195514 165346836 /nfs/dbraw/zinc/34/68/36/165346836.db2.gz XYWAWIKWALZULC-UHFFFAOYSA-N 2 2 253.777 3.023 20 0 CGADLP CCC[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000094522117 165351924 /nfs/dbraw/zinc/35/19/24/165351924.db2.gz YFTJIMTYRQUCCK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000094522117 165351927 /nfs/dbraw/zinc/35/19/27/165351927.db2.gz YFTJIMTYRQUCCK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406340 287116471 /nfs/dbraw/zinc/11/64/71/287116471.db2.gz RRZMLRHRORNDRR-OLZOCXBDSA-N 2 2 293.480 3.014 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406340 287116474 /nfs/dbraw/zinc/11/64/74/287116474.db2.gz RRZMLRHRORNDRR-OLZOCXBDSA-N 2 2 293.480 3.014 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251580765 287141814 /nfs/dbraw/zinc/14/18/14/287141814.db2.gz CJGKUELGTJBQDD-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251580765 287141817 /nfs/dbraw/zinc/14/18/17/287141817.db2.gz CJGKUELGTJBQDD-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000116385340 287157306 /nfs/dbraw/zinc/15/73/06/287157306.db2.gz MHRLEVXTUJDTQX-SJLPKXTDSA-N 2 2 274.452 3.472 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000116385338 287157333 /nfs/dbraw/zinc/15/73/33/287157333.db2.gz MHRLEVXTUJDTQX-AEFFLSMTSA-N 2 2 274.452 3.472 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000118984752 287163066 /nfs/dbraw/zinc/16/30/66/287163066.db2.gz GMYOVJIZXVRMOU-SQNIBIBYSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC1(C)C ZINC000284235064 196009290 /nfs/dbraw/zinc/00/92/90/196009290.db2.gz HXOOZWNJAMACRS-HNNXBMFYSA-N 2 2 257.381 3.123 20 0 CGADLP CCC(CC)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186647 171051032 /nfs/dbraw/zinc/05/10/32/171051032.db2.gz YOIPDTNEHQBJGU-UHFFFAOYSA-N 2 2 259.397 3.371 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506223 171228086 /nfs/dbraw/zinc/22/80/86/171228086.db2.gz NXMRXNUCUDAVJR-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@H]([NH2+]CC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000022145346 171356517 /nfs/dbraw/zinc/35/65/17/171356517.db2.gz QWWLCLMKMSSYTH-INIZCTEOSA-N 2 2 282.431 3.358 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000035180125 172033524 /nfs/dbraw/zinc/03/35/24/172033524.db2.gz FDDWJUVPWAXSDI-UHFFFAOYSA-N 2 2 284.831 3.026 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000285524971 196314258 /nfs/dbraw/zinc/31/42/58/196314258.db2.gz BJEJERQEMQLRFQ-CQSZACIVSA-N 2 2 273.424 3.058 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037319618 173119800 /nfs/dbraw/zinc/11/98/00/173119800.db2.gz UINYXOKZKUHWAI-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038087630 174099781 /nfs/dbraw/zinc/09/97/81/174099781.db2.gz RTYMUAKNWUZBCC-CABCVRRESA-N 2 2 262.441 3.283 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039170044 174164960 /nfs/dbraw/zinc/16/49/60/174164960.db2.gz RJRXDORBRFNHRU-UHFFFAOYSA-N 2 2 283.297 3.082 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1F ZINC000127773146 287295871 /nfs/dbraw/zinc/29/58/71/287295871.db2.gz RURSLMJZWSBXDX-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000128108200 287303863 /nfs/dbraw/zinc/30/38/63/287303863.db2.gz SRRHPYBITXZLEM-ROUUACIJSA-N 2 2 292.467 3.330 20 0 CGADLP c1[nH]c(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000077412220 177264512 /nfs/dbraw/zinc/26/45/12/177264512.db2.gz CMAADLFYHIFHIH-WBVHZDCISA-N 2 2 269.392 3.301 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@H]1CC[NH3+] ZINC000404281598 416551472 /nfs/dbraw/zinc/55/14/72/416551472.db2.gz ASQHXTXHVCLZPM-STQMWFEESA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@H]1CC[NH3+] ZINC000404281598 416551477 /nfs/dbraw/zinc/55/14/77/416551477.db2.gz ASQHXTXHVCLZPM-STQMWFEESA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679216028 543599892 /nfs/dbraw/zinc/59/98/92/543599892.db2.gz RPPSFQURFIYBOH-UONOGXRCSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679216028 543599895 /nfs/dbraw/zinc/59/98/95/543599895.db2.gz RPPSFQURFIYBOH-UONOGXRCSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000679574314 543647022 /nfs/dbraw/zinc/64/70/22/543647022.db2.gz HFKNBMKJCDZHOP-NSHDSACASA-N 2 2 278.362 3.039 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679670982 543654754 /nfs/dbraw/zinc/65/47/54/543654754.db2.gz LDVTXGRTEFAHGH-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679670982 543654757 /nfs/dbraw/zinc/65/47/57/543654757.db2.gz LDVTXGRTEFAHGH-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368904 543705276 /nfs/dbraw/zinc/70/52/76/543705276.db2.gz QWUBKVVFXUOPTH-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368904 543705277 /nfs/dbraw/zinc/70/52/77/543705277.db2.gz QWUBKVVFXUOPTH-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(F)c1 ZINC000130663241 287360680 /nfs/dbraw/zinc/36/06/80/287360680.db2.gz PQKKNPVRJXSZEH-ZDUSSCGKSA-N 2 2 283.350 3.367 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681547838 543793627 /nfs/dbraw/zinc/79/36/27/543793627.db2.gz POYMZROKEKUNFS-YJBOKZPZSA-N 2 2 285.435 3.007 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681547838 543793628 /nfs/dbraw/zinc/79/36/28/543793628.db2.gz POYMZROKEKUNFS-YJBOKZPZSA-N 2 2 285.435 3.007 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130775171 287363008 /nfs/dbraw/zinc/36/30/08/287363008.db2.gz VFDSDPKNKCGXDQ-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130775171 287363009 /nfs/dbraw/zinc/36/30/09/287363009.db2.gz VFDSDPKNKCGXDQ-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143763 543829051 /nfs/dbraw/zinc/82/90/51/543829051.db2.gz VJYNGYURZFQREG-PBHICJAKSA-N 2 2 272.436 3.384 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000131039360 287369285 /nfs/dbraw/zinc/36/92/85/287369285.db2.gz WQNSFJVVHRGQMG-GDBMZVCRSA-N 2 2 260.425 3.080 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000131039360 287369287 /nfs/dbraw/zinc/36/92/87/287369287.db2.gz WQNSFJVVHRGQMG-GDBMZVCRSA-N 2 2 260.425 3.080 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000131179636 287372708 /nfs/dbraw/zinc/37/27/08/287372708.db2.gz DYWBLERNTBNTHF-UHFFFAOYSA-N 2 2 299.349 3.457 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000682640721 543855224 /nfs/dbraw/zinc/85/52/24/543855224.db2.gz NAYJQCYTOBFLFU-MRLCAUJQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCCC[C@H]1C ZINC000682640721 543855226 /nfs/dbraw/zinc/85/52/26/543855226.db2.gz NAYJQCYTOBFLFU-MRLCAUJQSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682759661 543865592 /nfs/dbraw/zinc/86/55/92/543865592.db2.gz SFBUCOYLULCNOO-OAHLLOKOSA-N 2 2 279.428 3.115 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682759661 543865594 /nfs/dbraw/zinc/86/55/94/543865594.db2.gz SFBUCOYLULCNOO-OAHLLOKOSA-N 2 2 279.428 3.115 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cscc2Cl)CC1 ZINC000683357873 543910428 /nfs/dbraw/zinc/91/04/28/543910428.db2.gz MFZVYBFKRQWLLJ-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cscc2Cl)CC1 ZINC000683357873 543910430 /nfs/dbraw/zinc/91/04/30/543910430.db2.gz MFZVYBFKRQWLLJ-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693684 543932667 /nfs/dbraw/zinc/93/26/67/543932667.db2.gz BDKKVDUNTBJGOF-DZGCQCFKSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693684 543932669 /nfs/dbraw/zinc/93/26/69/543932669.db2.gz BDKKVDUNTBJGOF-DZGCQCFKSA-N 2 2 278.465 3.286 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)[C@@H]3CC3(C)C)[nH+]c12 ZINC000683773188 543940378 /nfs/dbraw/zinc/94/03/78/543940378.db2.gz VFWZOCCOXBPVIN-HIFRSBDPSA-N 2 2 271.408 3.209 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355775 418956593 /nfs/dbraw/zinc/95/65/93/418956593.db2.gz HKGUISMNMJDEJW-HIFRSBDPSA-N 2 2 295.496 3.435 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355775 418956594 /nfs/dbraw/zinc/95/65/94/418956594.db2.gz HKGUISMNMJDEJW-HIFRSBDPSA-N 2 2 295.496 3.435 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000659874247 419024788 /nfs/dbraw/zinc/02/47/88/419024788.db2.gz CTXPVIIPSGXELM-UXLLHSPISA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000659874247 419024792 /nfs/dbraw/zinc/02/47/92/419024792.db2.gz CTXPVIIPSGXELM-UXLLHSPISA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000659874247 419024796 /nfs/dbraw/zinc/02/47/96/419024796.db2.gz CTXPVIIPSGXELM-UXLLHSPISA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000659874247 419024799 /nfs/dbraw/zinc/02/47/99/419024799.db2.gz CTXPVIIPSGXELM-UXLLHSPISA-N 2 2 264.457 3.229 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882330 419028104 /nfs/dbraw/zinc/02/81/04/419028104.db2.gz GYADEABGIIKRKB-IAGOWNOFSA-N 2 2 291.439 3.115 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882330 419028107 /nfs/dbraw/zinc/02/81/07/419028107.db2.gz GYADEABGIIKRKB-IAGOWNOFSA-N 2 2 291.439 3.115 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252035 419093435 /nfs/dbraw/zinc/09/34/35/419093435.db2.gz FHRJKONYCZMMHI-BPQIPLTHSA-N 2 2 296.414 3.392 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776093 419095080 /nfs/dbraw/zinc/09/50/80/419095080.db2.gz HRCKORZGZRIXSC-ZACQAIPSSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000665277346 419099830 /nfs/dbraw/zinc/09/98/30/419099830.db2.gz ZHTBWVHVZSNTKI-IPWFMCSPSA-N 2 2 285.218 3.396 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856918 419124742 /nfs/dbraw/zinc/12/47/42/419124742.db2.gz QVVCMVMJBXVACV-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856918 419124745 /nfs/dbraw/zinc/12/47/45/419124745.db2.gz QVVCMVMJBXVACV-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000653876241 419102119 /nfs/dbraw/zinc/10/21/19/419102119.db2.gz GGDPPUKVHVLWAX-ZWKOTPCHSA-N 2 2 299.418 3.310 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1OC ZINC000665294190 419107163 /nfs/dbraw/zinc/10/71/63/419107163.db2.gz JXPNWZHNVQLNTJ-KBPBESRZSA-N 2 2 294.439 3.133 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665295341 419108777 /nfs/dbraw/zinc/10/87/77/419108777.db2.gz CGCCYTOIAYYJFP-NWDGAFQWSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000665296479 419109074 /nfs/dbraw/zinc/10/90/74/419109074.db2.gz SZYFBPYRMPJJNI-PRHODGIISA-N 2 2 273.207 3.178 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000665295337 419109256 /nfs/dbraw/zinc/10/92/56/419109256.db2.gz CFCWLWBPIHGDKL-DYVFJYSZSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000665297289 419110679 /nfs/dbraw/zinc/11/06/79/419110679.db2.gz COHBHBLVQIGIIT-IUCAKERBSA-N 2 2 291.258 3.078 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849532 419119822 /nfs/dbraw/zinc/11/98/22/419119822.db2.gz WQHPQKHYWIHXPX-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849532 419119825 /nfs/dbraw/zinc/11/98/25/419119825.db2.gz WQHPQKHYWIHXPX-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848788 419120079 /nfs/dbraw/zinc/12/00/79/419120079.db2.gz KVMWDRURYSLJEH-CKUJCDMFSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848788 419120081 /nfs/dbraw/zinc/12/00/81/419120081.db2.gz KVMWDRURYSLJEH-CKUJCDMFSA-N 2 2 250.430 3.028 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849022 419120185 /nfs/dbraw/zinc/12/01/85/419120185.db2.gz OPLLEGLLDGMRLY-JYJNAYRXSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849022 419120188 /nfs/dbraw/zinc/12/01/88/419120188.db2.gz OPLLEGLLDGMRLY-JYJNAYRXSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000653591562 419056357 /nfs/dbraw/zinc/05/63/57/419056357.db2.gz OBFAOSMETQMDDI-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000653591562 419056359 /nfs/dbraw/zinc/05/63/59/419056359.db2.gz OBFAOSMETQMDDI-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CS1 ZINC000655696230 419067263 /nfs/dbraw/zinc/06/72/63/419067263.db2.gz DNHGSDRAUREOKR-DJIMGWMZSA-N 2 2 292.492 3.033 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000660065233 419069577 /nfs/dbraw/zinc/06/95/77/419069577.db2.gz RKTIQZGYCZCIFV-UXLLHSPISA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000660065233 419069581 /nfs/dbraw/zinc/06/95/81/419069581.db2.gz RKTIQZGYCZCIFV-UXLLHSPISA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660065233 419069583 /nfs/dbraw/zinc/06/95/83/419069583.db2.gz RKTIQZGYCZCIFV-UXLLHSPISA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660065233 419069586 /nfs/dbraw/zinc/06/95/86/419069586.db2.gz RKTIQZGYCZCIFV-UXLLHSPISA-N 2 2 262.441 3.290 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655708893 419073391 /nfs/dbraw/zinc/07/33/91/419073391.db2.gz OXUFMSBQLFXEBR-KBAYOESNSA-N 2 2 294.483 3.044 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000655940401 419128965 /nfs/dbraw/zinc/12/89/65/419128965.db2.gz AGQPZVXNAXJMES-UHFFFAOYSA-N 2 2 276.424 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000655940401 419128969 /nfs/dbraw/zinc/12/89/69/419128969.db2.gz AGQPZVXNAXJMES-UHFFFAOYSA-N 2 2 276.424 3.132 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941081 419129975 /nfs/dbraw/zinc/12/99/75/419129975.db2.gz LVZCVRDPUIEPCC-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941081 419129978 /nfs/dbraw/zinc/12/99/78/419129978.db2.gz LVZCVRDPUIEPCC-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666079458 419187538 /nfs/dbraw/zinc/18/75/38/419187538.db2.gz YBQGHYNXQIDQMA-ZDUSSCGKSA-N 2 2 280.843 3.127 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000655857612 419125812 /nfs/dbraw/zinc/12/58/12/419125812.db2.gz UNZDBNSUYNWGHS-CVEARBPZSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000655857612 419125814 /nfs/dbraw/zinc/12/58/14/419125814.db2.gz UNZDBNSUYNWGHS-CVEARBPZSA-N 2 2 278.465 3.471 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660318021 419126844 /nfs/dbraw/zinc/12/68/44/419126844.db2.gz UTCJYXGXWHPWAZ-CAOSSQGBSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660318021 419126847 /nfs/dbraw/zinc/12/68/47/419126847.db2.gz UTCJYXGXWHPWAZ-CAOSSQGBSA-N 2 2 252.446 3.085 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCCC1CCCCC1)CCC2 ZINC000657309615 419247484 /nfs/dbraw/zinc/24/74/84/419247484.db2.gz OZCZNCQDQKXOKQ-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000657366707 419261583 /nfs/dbraw/zinc/26/15/83/419261583.db2.gz BLAQXQRDPXSRLP-AEFFLSMTSA-N 2 2 295.430 3.330 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228153 419200847 /nfs/dbraw/zinc/20/08/47/419200847.db2.gz NOCKRUSVGJTFJF-BPUTZDHNSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228153 419200851 /nfs/dbraw/zinc/20/08/51/419200851.db2.gz NOCKRUSVGJTFJF-BPUTZDHNSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cc2cc(C[N@@H+](C)CC(C)(C)[NH3+])oc2cc1C ZINC000656783344 419217911 /nfs/dbraw/zinc/21/79/11/419217911.db2.gz PQYLJHCRPAKWRP-UHFFFAOYSA-N 2 2 260.381 3.219 20 0 CGADLP Cc1cc2cc(C[N@H+](C)CC(C)(C)[NH3+])oc2cc1C ZINC000656783344 419217913 /nfs/dbraw/zinc/21/79/13/419217913.db2.gz PQYLJHCRPAKWRP-UHFFFAOYSA-N 2 2 260.381 3.219 20 0 CGADLP CN(c1ccccc1)c1ccc(C[N@H+](C)CC(C)(C)[NH3+])cn1 ZINC000656785767 419219661 /nfs/dbraw/zinc/21/96/61/419219661.db2.gz QCMXQHWHMDYARI-UHFFFAOYSA-N 2 2 298.434 3.019 20 0 CGADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cn1 ZINC000656785767 419219663 /nfs/dbraw/zinc/21/96/63/419219663.db2.gz QCMXQHWHMDYARI-UHFFFAOYSA-N 2 2 298.434 3.019 20 0 CGADLP COc1cccc([C@]2(C)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)c1 ZINC000656791090 419220834 /nfs/dbraw/zinc/22/08/34/419220834.db2.gz DEKNOVYPUKCKPA-FUHWJXTLSA-N 2 2 290.451 3.032 20 0 CGADLP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)c1 ZINC000656791090 419220837 /nfs/dbraw/zinc/22/08/37/419220837.db2.gz DEKNOVYPUKCKPA-FUHWJXTLSA-N 2 2 290.451 3.032 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000657390296 419268150 /nfs/dbraw/zinc/26/81/50/419268150.db2.gz WXWKDVGUGUUABX-ZBFHGGJFSA-N 2 2 288.435 3.109 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000657390296 419268152 /nfs/dbraw/zinc/26/81/52/419268152.db2.gz WXWKDVGUGUUABX-ZBFHGGJFSA-N 2 2 288.435 3.109 20 0 CGADLP c1cn(CCC[NH2+]C2CCC(C3CCC3)CC2)c[nH+]1 ZINC000657286620 419242896 /nfs/dbraw/zinc/24/28/96/419242896.db2.gz QBSGMDGTCROPDF-UHFFFAOYSA-N 2 2 261.413 3.222 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657457013 419283376 /nfs/dbraw/zinc/28/33/76/419283376.db2.gz OQWOTJSZHQGXCD-MRXNPFEDSA-N 2 2 285.366 3.136 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657457776 419283484 /nfs/dbraw/zinc/28/34/84/419283484.db2.gz CQXNEOQIUTWBKB-GFCCVEGCSA-N 2 2 287.432 3.402 20 0 CGADLP Cc1cc(NCc2[nH+]ccn2C(C)C)ccc1C[NH+](C)C ZINC000657490973 419292937 /nfs/dbraw/zinc/29/29/37/419292937.db2.gz AXQSZSOXZJGZDF-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP CC[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657585431 419309882 /nfs/dbraw/zinc/30/98/82/419309882.db2.gz AOYIMIITHREBLV-HNNXBMFYSA-N 2 2 275.440 3.072 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657742740 419335278 /nfs/dbraw/zinc/33/52/78/419335278.db2.gz WGQUYWPADSDRPQ-NJAFHUGGSA-N 2 2 287.451 3.182 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657742740 419335280 /nfs/dbraw/zinc/33/52/80/419335280.db2.gz WGQUYWPADSDRPQ-NJAFHUGGSA-N 2 2 287.451 3.182 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000657742076 419335968 /nfs/dbraw/zinc/33/59/68/419335968.db2.gz MPIWTBUHXIQLCQ-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000657742076 419335971 /nfs/dbraw/zinc/33/59/71/419335971.db2.gz MPIWTBUHXIQLCQ-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCOC2(C)C)n1-c1ccccc1 ZINC000657786800 419350229 /nfs/dbraw/zinc/35/02/29/419350229.db2.gz XCRYBXIXOWJYGT-OAHLLOKOSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000657783815 419347339 /nfs/dbraw/zinc/34/73/39/419347339.db2.gz WWAVZSWXFCDZNG-SJLPKXTDSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000657783815 419347341 /nfs/dbraw/zinc/34/73/41/419347341.db2.gz WWAVZSWXFCDZNG-SJLPKXTDSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657797781 419358728 /nfs/dbraw/zinc/35/87/28/419358728.db2.gz MSCHGBMQBXMJDK-QGZVFWFLSA-N 2 2 281.403 3.305 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCCSCC3)[nH]c2c1 ZINC000657850088 419388550 /nfs/dbraw/zinc/38/85/50/419388550.db2.gz OAMBIYDEPHWZJB-ZDUSSCGKSA-N 2 2 289.448 3.371 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657822061 419371919 /nfs/dbraw/zinc/37/19/19/419371919.db2.gz VRQLDEWSVYWYPF-HNNXBMFYSA-N 2 2 277.799 3.147 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C(F)F)nc1 ZINC000657906144 419430305 /nfs/dbraw/zinc/43/03/05/419430305.db2.gz WGEGCXGDNROXRA-ZETOZRRWSA-N 2 2 295.377 3.153 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C(F)F)nc1 ZINC000657906144 419430309 /nfs/dbraw/zinc/43/03/09/419430309.db2.gz WGEGCXGDNROXRA-ZETOZRRWSA-N 2 2 295.377 3.153 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000658060296 419533294 /nfs/dbraw/zinc/53/32/94/419533294.db2.gz LREPLAOZLRDDCR-LSDHHAIUSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000658060296 419533300 /nfs/dbraw/zinc/53/33/00/419533300.db2.gz LREPLAOZLRDDCR-LSDHHAIUSA-N 2 2 282.472 3.187 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000658095325 419572070 /nfs/dbraw/zinc/57/20/70/419572070.db2.gz GTWSVNZZPVWPRA-PBHICJAKSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000658095325 419572079 /nfs/dbraw/zinc/57/20/79/419572079.db2.gz GTWSVNZZPVWPRA-PBHICJAKSA-N 2 2 288.435 3.232 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096429 419574711 /nfs/dbraw/zinc/57/47/11/419574711.db2.gz PIXGCKZEGVDALG-CABCVRRESA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096429 419574718 /nfs/dbraw/zinc/57/47/18/419574718.db2.gz PIXGCKZEGVDALG-CABCVRRESA-N 2 2 282.472 3.187 20 0 CGADLP CC1(C)C[C@@]1(C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663369234 419579137 /nfs/dbraw/zinc/57/91/37/419579137.db2.gz UOVYOUAYKLGINX-LJQANCHMSA-N 2 2 295.430 3.287 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000663396534 419590939 /nfs/dbraw/zinc/59/09/39/419590939.db2.gz DUOQUQZECJGSOD-CHWSQXEVSA-N 2 2 299.340 3.448 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000663396534 419590943 /nfs/dbraw/zinc/59/09/43/419590943.db2.gz DUOQUQZECJGSOD-CHWSQXEVSA-N 2 2 299.340 3.448 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H](CNc2[nH+]ccc3c(N)cccc32)C1 ZINC000663708248 419687988 /nfs/dbraw/zinc/68/79/88/419687988.db2.gz HUPIPWFMXOIDMZ-CQSZACIVSA-N 2 2 298.434 3.207 20 0 CGADLP CC(C)C[N@H+]1CC[C@H](CNc2[nH+]ccc3c(N)cccc32)C1 ZINC000663708248 419687995 /nfs/dbraw/zinc/68/79/95/419687995.db2.gz HUPIPWFMXOIDMZ-CQSZACIVSA-N 2 2 298.434 3.207 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000658286162 419733495 /nfs/dbraw/zinc/73/34/95/419733495.db2.gz POVOFMSGUXPJOQ-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000658286162 419733505 /nfs/dbraw/zinc/73/35/05/419733505.db2.gz POVOFMSGUXPJOQ-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCc1cccc(C)c1)C1CC1 ZINC000223060961 260262523 /nfs/dbraw/zinc/26/25/23/260262523.db2.gz LIYCRDVQEMZZDU-INIZCTEOSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCc1cccc(C)c1)C1CC1 ZINC000223060961 260262525 /nfs/dbraw/zinc/26/25/25/260262525.db2.gz LIYCRDVQEMZZDU-INIZCTEOSA-N 2 2 274.452 3.390 20 0 CGADLP COc1ccc2cc(C[NH2+]CC[N@@H+]3CC[C@H](C)C3)ccc2c1 ZINC000525800677 262359264 /nfs/dbraw/zinc/35/92/64/262359264.db2.gz HAWKAYVPTLAZTQ-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP COc1ccc2cc(C[NH2+]CC[N@H+]3CC[C@H](C)C3)ccc2c1 ZINC000525800677 262359265 /nfs/dbraw/zinc/35/92/65/262359265.db2.gz HAWKAYVPTLAZTQ-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP COc1c(C)c[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c1C ZINC000319801153 262367207 /nfs/dbraw/zinc/36/72/07/262367207.db2.gz QUCDBFUBMONECI-NEPJUHHUSA-N 2 2 299.418 3.323 20 0 CGADLP c1cn(CC[NH2+]C2c3ccccc3-c3ccccc32)c[nH+]1 ZINC000041063112 270030573 /nfs/dbraw/zinc/03/05/73/270030573.db2.gz NVPIXCRHWGUSJN-UHFFFAOYSA-N 2 2 275.355 3.243 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000044535531 270035866 /nfs/dbraw/zinc/03/58/66/270035866.db2.gz JIKXHZWRRDMNCU-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000044535531 270035867 /nfs/dbraw/zinc/03/58/67/270035867.db2.gz JIKXHZWRRDMNCU-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255217 270065383 /nfs/dbraw/zinc/06/53/83/270065383.db2.gz VHRCCQMCSRHWIM-QWHCGFSZSA-N 2 2 281.469 3.259 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255217 270065384 /nfs/dbraw/zinc/06/53/84/270065384.db2.gz VHRCCQMCSRHWIM-QWHCGFSZSA-N 2 2 281.469 3.259 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000230656620 270089115 /nfs/dbraw/zinc/08/91/15/270089115.db2.gz KBIJAIDCSXHLIP-NFOMZHRRSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000230656620 270089116 /nfs/dbraw/zinc/08/91/16/270089116.db2.gz KBIJAIDCSXHLIP-NFOMZHRRSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000322500158 270093611 /nfs/dbraw/zinc/09/36/11/270093611.db2.gz FURCLOGCGCVNNV-YOEHRIQHSA-N 2 2 287.407 3.338 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(Cl)c1 ZINC000521055153 270100112 /nfs/dbraw/zinc/10/01/12/270100112.db2.gz XUACIHICNVNPJN-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(Cl)c1 ZINC000521055153 270100113 /nfs/dbraw/zinc/10/01/13/270100113.db2.gz XUACIHICNVNPJN-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(Cl)c1 ZINC000521055153 270100114 /nfs/dbraw/zinc/10/01/14/270100114.db2.gz XUACIHICNVNPJN-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(Cl)c1 ZINC000521055153 270100115 /nfs/dbraw/zinc/10/01/15/270100115.db2.gz XUACIHICNVNPJN-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000524771434 270115090 /nfs/dbraw/zinc/11/50/90/270115090.db2.gz MSTXNMSQNABYDP-WMJYUBJYSA-N 2 2 258.409 3.021 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000524771434 270115091 /nfs/dbraw/zinc/11/50/91/270115091.db2.gz MSTXNMSQNABYDP-WMJYUBJYSA-N 2 2 258.409 3.021 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000525874157 270120526 /nfs/dbraw/zinc/12/05/26/270120526.db2.gz NVTSXTITGDTMSS-LSDHHAIUSA-N 2 2 278.415 3.251 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000525874157 270120527 /nfs/dbraw/zinc/12/05/27/270120527.db2.gz NVTSXTITGDTMSS-LSDHHAIUSA-N 2 2 278.415 3.251 20 0 CGADLP FC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000525978457 270121453 /nfs/dbraw/zinc/12/14/53/270121453.db2.gz HCSVWFNIUAFCEH-OAHLLOKOSA-N 2 2 268.420 3.077 20 0 CGADLP FC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000525978457 270121454 /nfs/dbraw/zinc/12/14/54/270121454.db2.gz HCSVWFNIUAFCEH-OAHLLOKOSA-N 2 2 268.420 3.077 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000526107544 270123013 /nfs/dbraw/zinc/12/30/13/270123013.db2.gz DQYJTXKEHXTPRG-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000527108419 270125277 /nfs/dbraw/zinc/12/52/77/270125277.db2.gz OPURLLRPXLVJJY-OAHLLOKOSA-N 2 2 276.399 3.171 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000527108419 270125278 /nfs/dbraw/zinc/12/52/78/270125278.db2.gz OPURLLRPXLVJJY-OAHLLOKOSA-N 2 2 276.399 3.171 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000527359070 270127866 /nfs/dbraw/zinc/12/78/66/270127866.db2.gz GCMHOBDPEXDZJU-WMEZAQDKSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000527359070 270127867 /nfs/dbraw/zinc/12/78/67/270127867.db2.gz GCMHOBDPEXDZJU-WMEZAQDKSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccn1 ZINC000527539062 270129407 /nfs/dbraw/zinc/12/94/07/270129407.db2.gz OQSKOAMJVILLKT-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753162 270134204 /nfs/dbraw/zinc/13/42/04/270134204.db2.gz PZUMSMIQHXXGCA-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753162 270134205 /nfs/dbraw/zinc/13/42/05/270134205.db2.gz PZUMSMIQHXXGCA-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP c1cc2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c2[nH]1 ZINC000527808981 270137627 /nfs/dbraw/zinc/13/76/27/270137627.db2.gz RQKMLVUBFVLKEB-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c2[nH]1 ZINC000527808981 270137628 /nfs/dbraw/zinc/13/76/28/270137628.db2.gz RQKMLVUBFVLKEB-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945378 270146015 /nfs/dbraw/zinc/14/60/15/270146015.db2.gz GIGVIZKXXKANOU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527945378 270146016 /nfs/dbraw/zinc/14/60/16/270146016.db2.gz GIGVIZKXXKANOU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527976696 270147855 /nfs/dbraw/zinc/14/78/55/270147855.db2.gz GAASTBODJKQQSC-HNNXBMFYSA-N 2 2 269.392 3.155 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527999157 270149749 /nfs/dbraw/zinc/14/97/49/270149749.db2.gz FNSYSZSQEAPGEE-ZBFHGGJFSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527999157 270149750 /nfs/dbraw/zinc/14/97/50/270149750.db2.gz FNSYSZSQEAPGEE-ZBFHGGJFSA-N 2 2 274.408 3.264 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@@H]1C ZINC000528004852 270150479 /nfs/dbraw/zinc/15/04/79/270150479.db2.gz XVWUOINKYXZJFR-HNKHHVNMSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@@H]1C ZINC000528004852 270150480 /nfs/dbraw/zinc/15/04/80/270150480.db2.gz XVWUOINKYXZJFR-HNKHHVNMSA-N 2 2 250.430 3.028 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010964 270151073 /nfs/dbraw/zinc/15/10/73/270151073.db2.gz KVAVYVMDCXINOA-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010964 270151074 /nfs/dbraw/zinc/15/10/74/270151074.db2.gz KVAVYVMDCXINOA-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000528011987 270151129 /nfs/dbraw/zinc/15/11/29/270151129.db2.gz NDWUBMMVURNLLQ-ZWKOTPCHSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccnc1 ZINC000528011987 270151130 /nfs/dbraw/zinc/15/11/30/270151130.db2.gz NDWUBMMVURNLLQ-ZWKOTPCHSA-N 2 2 287.451 3.385 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528009215 270151157 /nfs/dbraw/zinc/15/11/57/270151157.db2.gz HLIMCNNUPMPTKA-AEFFLSMTSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528009215 270151158 /nfs/dbraw/zinc/15/11/58/270151158.db2.gz HLIMCNNUPMPTKA-AEFFLSMTSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@@H](C[N@H+](C)CCc1c[nH+]cn1C)C1CCCCC1 ZINC000528773134 270172268 /nfs/dbraw/zinc/17/22/68/270172268.db2.gz LGKFNEVPONOPDM-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@@H](C[N@@H+](C)CCc1c[nH+]cn1C)C1CCCCC1 ZINC000528773134 270172269 /nfs/dbraw/zinc/17/22/69/270172269.db2.gz LGKFNEVPONOPDM-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1cc[nH+]c1 ZINC000529534471 270183200 /nfs/dbraw/zinc/18/32/00/270183200.db2.gz CROUWAMPDSSBBB-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1cc[nH+]c1 ZINC000529534471 270183201 /nfs/dbraw/zinc/18/32/01/270183201.db2.gz CROUWAMPDSSBBB-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558695 270184619 /nfs/dbraw/zinc/18/46/19/270184619.db2.gz SECXUCLMYPQUHM-AAEUAGOBSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558695 270184620 /nfs/dbraw/zinc/18/46/20/270184620.db2.gz SECXUCLMYPQUHM-AAEUAGOBSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C2CC2)c1 ZINC000530215712 270195812 /nfs/dbraw/zinc/19/58/12/270195812.db2.gz IEONYKCOJUIMHL-GUYCJALGSA-N 2 2 270.420 3.499 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216959 270195855 /nfs/dbraw/zinc/19/58/55/270195855.db2.gz DRFNJNLXGHIPCZ-CJNGLKHVSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219784 270196004 /nfs/dbraw/zinc/19/60/04/270196004.db2.gz MWXZLZVHHCSSEG-JLZZUVOBSA-N 2 2 288.410 3.323 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2n1 ZINC000530220335 270196037 /nfs/dbraw/zinc/19/60/37/270196037.db2.gz NOUSOKFAHQVMDX-SUMWQHHRSA-N 2 2 281.403 3.170 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530220414 270196389 /nfs/dbraw/zinc/19/63/89/270196389.db2.gz OALFBDTYAOVOKY-XJKSGUPXSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950079 270211455 /nfs/dbraw/zinc/21/14/55/270211455.db2.gz PBIASDBFKYREGD-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950079 270211456 /nfs/dbraw/zinc/21/14/56/270211456.db2.gz PBIASDBFKYREGD-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984061 270212353 /nfs/dbraw/zinc/21/23/53/270212353.db2.gz KJPHGRNDJSNIPZ-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984061 270212354 /nfs/dbraw/zinc/21/23/54/270212354.db2.gz KJPHGRNDJSNIPZ-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532531783 270217089 /nfs/dbraw/zinc/21/70/89/270217089.db2.gz IKTLERPTSFYIGE-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532531783 270217090 /nfs/dbraw/zinc/21/70/90/270217090.db2.gz IKTLERPTSFYIGE-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516057 274334895 /nfs/dbraw/zinc/33/48/95/274334895.db2.gz DLGCJXJAZSZJKP-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516057 274334896 /nfs/dbraw/zinc/33/48/96/274334896.db2.gz DLGCJXJAZSZJKP-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1Cl ZINC000275516057 274334897 /nfs/dbraw/zinc/33/48/97/274334897.db2.gz DLGCJXJAZSZJKP-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000275516057 274334898 /nfs/dbraw/zinc/33/48/98/274334898.db2.gz DLGCJXJAZSZJKP-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449255974 274499519 /nfs/dbraw/zinc/49/95/19/274499519.db2.gz BFHROFCTSIVGTR-UKRRQHHQSA-N 2 2 295.386 3.165 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000313266760 274570224 /nfs/dbraw/zinc/57/02/24/274570224.db2.gz JIXLXNGTUWPRLP-GUYCJALGSA-N 2 2 269.392 3.191 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000424184480 275791182 /nfs/dbraw/zinc/79/11/82/275791182.db2.gz XOTRYPUPPZXTPO-BZNIZROVSA-N 2 2 289.354 3.215 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423444187 276025511 /nfs/dbraw/zinc/02/55/11/276025511.db2.gz XOJCORGNUSBGOB-MOPGFXCFSA-N 2 2 295.430 3.399 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905436 276074901 /nfs/dbraw/zinc/07/49/01/276074901.db2.gz XTWWCKKJHINUCM-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905436 276074902 /nfs/dbraw/zinc/07/49/02/276074902.db2.gz XTWWCKKJHINUCM-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905436 276074903 /nfs/dbraw/zinc/07/49/03/276074903.db2.gz XTWWCKKJHINUCM-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905436 276074904 /nfs/dbraw/zinc/07/49/04/276074904.db2.gz XTWWCKKJHINUCM-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000367602926 276076286 /nfs/dbraw/zinc/07/62/86/276076286.db2.gz WUCCAYZSLHOMQY-KRWDZBQOSA-N 2 2 298.434 3.029 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000367602926 276076288 /nfs/dbraw/zinc/07/62/88/276076288.db2.gz WUCCAYZSLHOMQY-KRWDZBQOSA-N 2 2 298.434 3.029 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000348391049 276109082 /nfs/dbraw/zinc/10/90/82/276109082.db2.gz QSFDSZHHNGNXOF-HIFRSBDPSA-N 2 2 281.469 3.133 20 0 CGADLP CC[NH+](CC)[C@H](C)CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353597126 276118161 /nfs/dbraw/zinc/11/81/61/276118161.db2.gz RUWXEYUWXRLYFZ-GDBMZVCRSA-N 2 2 292.471 3.351 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040502445 276178902 /nfs/dbraw/zinc/17/89/02/276178902.db2.gz AMEBBBMCYQTRLY-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040502445 276178903 /nfs/dbraw/zinc/17/89/03/276178903.db2.gz AMEBBBMCYQTRLY-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000479435799 276181054 /nfs/dbraw/zinc/18/10/54/276181054.db2.gz HDMBDYQLHWMZAV-DIECFANBSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000479435799 276181056 /nfs/dbraw/zinc/18/10/56/276181056.db2.gz HDMBDYQLHWMZAV-DIECFANBSA-N 2 2 262.441 3.051 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000248533225 276188105 /nfs/dbraw/zinc/18/81/05/276188105.db2.gz SQXPAALMJCORDM-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000248533225 276188106 /nfs/dbraw/zinc/18/81/06/276188106.db2.gz SQXPAALMJCORDM-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+]1CCCC1 ZINC000453098869 276626898 /nfs/dbraw/zinc/62/68/98/276626898.db2.gz XHZFJLXBPZNBRQ-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCCC2)CCC1 ZINC000453208128 276754143 /nfs/dbraw/zinc/75/41/43/276754143.db2.gz BCEOOZQNASNACP-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840330 277181769 /nfs/dbraw/zinc/18/17/69/277181769.db2.gz JKJHMDQYFSGCSI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840330 277181772 /nfs/dbraw/zinc/18/17/72/277181772.db2.gz JKJHMDQYFSGCSI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840330 277181773 /nfs/dbraw/zinc/18/17/73/277181773.db2.gz JKJHMDQYFSGCSI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840330 277181774 /nfs/dbraw/zinc/18/17/74/277181774.db2.gz JKJHMDQYFSGCSI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1C ZINC000261758860 277278973 /nfs/dbraw/zinc/27/89/73/277278973.db2.gz CTHXMLHARXHJSX-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1C ZINC000261758860 277278974 /nfs/dbraw/zinc/27/89/74/277278974.db2.gz CTHXMLHARXHJSX-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000314444235 277460076 /nfs/dbraw/zinc/46/00/76/277460076.db2.gz XYHVZEKRWVGNBJ-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423063580 278263908 /nfs/dbraw/zinc/26/39/08/278263908.db2.gz PGAXWDQCSZLYIF-YUTCNCBUSA-N 2 2 286.341 3.063 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368090199 278301860 /nfs/dbraw/zinc/30/18/60/278301860.db2.gz PYJMBIUQTHEWKF-RUXDESIVSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368090199 278301861 /nfs/dbraw/zinc/30/18/61/278301861.db2.gz PYJMBIUQTHEWKF-RUXDESIVSA-N 2 2 275.440 3.462 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422992106 278367642 /nfs/dbraw/zinc/36/76/42/278367642.db2.gz QRMIBFFSLVBMNG-DAXOMENPSA-N 2 2 258.409 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@@H]1C ZINC000414160250 288045072 /nfs/dbraw/zinc/04/50/72/288045072.db2.gz ZJNAGAHPFVBQOT-TUUVXOQKSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@@H]1C ZINC000414160250 288045074 /nfs/dbraw/zinc/04/50/74/288045074.db2.gz ZJNAGAHPFVBQOT-TUUVXOQKSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1c(C)nn(C)c1C ZINC000422798694 288092162 /nfs/dbraw/zinc/09/21/62/288092162.db2.gz SKQDJGNMCQVNKY-IKGGRYGDSA-N 2 2 298.434 3.222 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)CCC2 ZINC000346548823 279004293 /nfs/dbraw/zinc/00/42/93/279004293.db2.gz CMXBQYGSXQZGCU-LQKXBSAESA-N 2 2 275.440 3.483 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441514 279037680 /nfs/dbraw/zinc/03/76/80/279037680.db2.gz HKCXYFZRUDGIPA-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441514 279037683 /nfs/dbraw/zinc/03/76/83/279037683.db2.gz HKCXYFZRUDGIPA-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441514 279037684 /nfs/dbraw/zinc/03/76/84/279037684.db2.gz HKCXYFZRUDGIPA-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441514 279037686 /nfs/dbraw/zinc/03/76/86/279037686.db2.gz HKCXYFZRUDGIPA-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000459515756 288095608 /nfs/dbraw/zinc/09/56/08/288095608.db2.gz PTECNHGNXYIXFT-INIZCTEOSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000459515756 288095611 /nfs/dbraw/zinc/09/56/11/288095611.db2.gz PTECNHGNXYIXFT-INIZCTEOSA-N 2 2 291.345 3.078 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCC[N@@H+]1C ZINC000346795237 279126664 /nfs/dbraw/zinc/12/66/64/279126664.db2.gz HWXIVEUTOBZZDE-JLZZUVOBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCC[N@H+]1C ZINC000346795237 279126666 /nfs/dbraw/zinc/12/66/66/279126666.db2.gz HWXIVEUTOBZZDE-JLZZUVOBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CCC[N@@H+]1C ZINC000342739871 279126720 /nfs/dbraw/zinc/12/67/20/279126720.db2.gz PPXQWICSRSSGIV-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)CCC[N@H+]1C ZINC000342739871 279126721 /nfs/dbraw/zinc/12/67/21/279126721.db2.gz PPXQWICSRSSGIV-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423258054 279142334 /nfs/dbraw/zinc/14/23/34/279142334.db2.gz AVCLTTBVZVJHBC-TZMCWYRMSA-N 2 2 282.428 3.326 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000482103004 288111780 /nfs/dbraw/zinc/11/17/80/288111780.db2.gz BXBKFDQIPVUIPA-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000482103004 288111784 /nfs/dbraw/zinc/11/17/84/288111784.db2.gz BXBKFDQIPVUIPA-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@@H+]1C ZINC000527665842 288185814 /nfs/dbraw/zinc/18/58/14/288185814.db2.gz MDGUYEYKRVROGF-ZJUUUORDSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@H+]1C ZINC000527665842 288185817 /nfs/dbraw/zinc/18/58/17/288185817.db2.gz MDGUYEYKRVROGF-ZJUUUORDSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346349448 280106479 /nfs/dbraw/zinc/10/64/79/280106479.db2.gz ZTQATRDVAQCFEM-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@H+]1C ZINC000346349448 280106483 /nfs/dbraw/zinc/10/64/83/280106483.db2.gz ZTQATRDVAQCFEM-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179908 288296860 /nfs/dbraw/zinc/29/68/60/288296860.db2.gz YQVKPGXPIIESIB-AWEZNQCLSA-N 2 2 291.464 3.175 20 0 CGADLP Cc1cccc(NC[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000114183360 281244340 /nfs/dbraw/zinc/24/43/40/281244340.db2.gz ZSHLSLZEQRRBDF-HNNXBMFYSA-N 2 2 255.365 3.105 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CC3)CC1)CCC2 ZINC000336100258 281550463 /nfs/dbraw/zinc/55/04/63/281550463.db2.gz STPIMIOUVJMONL-AWEZNQCLSA-N 2 2 273.424 3.381 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531729356 288344861 /nfs/dbraw/zinc/34/48/61/288344861.db2.gz UGYAMPOPWMUADH-GDBMZVCRSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531729356 288344863 /nfs/dbraw/zinc/34/48/63/288344863.db2.gz UGYAMPOPWMUADH-GDBMZVCRSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000531728528 288344161 /nfs/dbraw/zinc/34/41/61/288344161.db2.gz DWARDGZALYBCAG-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000531728528 288344162 /nfs/dbraw/zinc/34/41/62/288344162.db2.gz DWARDGZALYBCAG-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP c1cn(CCCC[NH2+][C@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000532195026 288354342 /nfs/dbraw/zinc/35/43/42/288354342.db2.gz LMEXWQPTYWSENH-GOSISDBHSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228925 288356524 /nfs/dbraw/zinc/35/65/24/288356524.db2.gz RATRXWQHKJOZGA-IAQYHMDHSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228925 288356526 /nfs/dbraw/zinc/35/65/26/288356526.db2.gz RATRXWQHKJOZGA-IAQYHMDHSA-N 2 2 298.833 3.296 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000532240378 288357697 /nfs/dbraw/zinc/35/76/97/288357697.db2.gz OCQIMSBXSKGNMB-LPHOPBHVSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000532240378 288357699 /nfs/dbraw/zinc/35/76/99/288357699.db2.gz OCQIMSBXSKGNMB-LPHOPBHVSA-N 2 2 286.463 3.248 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000532442526 288360773 /nfs/dbraw/zinc/36/07/73/288360773.db2.gz UJCDATNINJYAOT-HNNXBMFYSA-N 2 2 275.783 3.204 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532479239 288364344 /nfs/dbraw/zinc/36/43/44/288364344.db2.gz CYHZGQUDGSCEKO-KBMXLJTQSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532479239 288364346 /nfs/dbraw/zinc/36/43/46/288364346.db2.gz CYHZGQUDGSCEKO-KBMXLJTQSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532540725 288366322 /nfs/dbraw/zinc/36/63/22/288366322.db2.gz XVLHIUZCRUACFT-OFQRWUPVSA-N 2 2 250.430 3.194 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532540725 288366324 /nfs/dbraw/zinc/36/63/24/288366324.db2.gz XVLHIUZCRUACFT-OFQRWUPVSA-N 2 2 250.430 3.194 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000097928529 289062606 /nfs/dbraw/zinc/06/26/06/289062606.db2.gz WTEDJPCQBIFWKU-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209413 289101984 /nfs/dbraw/zinc/10/19/84/289101984.db2.gz BLQLWOXCBPKQAS-WIRVQXDCSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209413 289101986 /nfs/dbraw/zinc/10/19/86/289101986.db2.gz BLQLWOXCBPKQAS-WIRVQXDCSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570594 289123010 /nfs/dbraw/zinc/12/30/10/289123010.db2.gz XDWRYYUXAVVVHX-RDTXWAMCSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570594 289123013 /nfs/dbraw/zinc/12/30/13/289123013.db2.gz XDWRYYUXAVVVHX-RDTXWAMCSA-N 2 2 288.435 3.048 20 0 CGADLP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000551789537 289132679 /nfs/dbraw/zinc/13/26/79/289132679.db2.gz PXHDWIDTFMIKNU-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP CCC1CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000551789537 289132684 /nfs/dbraw/zinc/13/26/84/289132684.db2.gz PXHDWIDTFMIKNU-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000553261771 289216045 /nfs/dbraw/zinc/21/60/45/289216045.db2.gz SECKAUQBFRPTFN-LBPRGKRZSA-N 2 2 294.389 3.490 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554071668 289255118 /nfs/dbraw/zinc/25/51/18/289255118.db2.gz LBVDUQZNZVEUSA-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000554071668 289255119 /nfs/dbraw/zinc/25/51/19/289255119.db2.gz LBVDUQZNZVEUSA-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1 ZINC000556431465 289391826 /nfs/dbraw/zinc/39/18/26/289391826.db2.gz XTHLVMPONDHOEB-ZDUSSCGKSA-N 2 2 287.382 3.252 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000562065492 289673973 /nfs/dbraw/zinc/67/39/73/289673973.db2.gz SIUJCFXQDUUTFD-TXCZRRACSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1cc2[nH+]cn(C[C@H]3CC[C@H](C[NH3+])CC3)c2cc1C ZINC000562981225 289749045 /nfs/dbraw/zinc/74/90/45/289749045.db2.gz WNIMQWZYVGDISJ-SHTZXODSSA-N 2 2 271.408 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cn1 ZINC000359671392 290053980 /nfs/dbraw/zinc/05/39/80/290053980.db2.gz ICYORICSLMMARD-FPMFFAJLSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cn1 ZINC000359671392 290053981 /nfs/dbraw/zinc/05/39/81/290053981.db2.gz ICYORICSLMMARD-FPMFFAJLSA-N 2 2 279.815 3.012 20 0 CGADLP Clc1ccc(SCC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000435236712 294106434 /nfs/dbraw/zinc/10/64/34/294106434.db2.gz UOHRWVVPSRLKPS-AWEZNQCLSA-N 2 2 296.867 3.258 20 0 CGADLP Clc1ccc(SCC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000435236712 294106437 /nfs/dbraw/zinc/10/64/37/294106437.db2.gz UOHRWVVPSRLKPS-AWEZNQCLSA-N 2 2 296.867 3.258 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000157348589 295325588 /nfs/dbraw/zinc/32/55/88/295325588.db2.gz XTAQMBPCCADUMH-ZACQAIPSSA-N 2 2 280.371 3.245 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000484479231 301232747 /nfs/dbraw/zinc/23/27/47/301232747.db2.gz WVQRQDZDDHCJBX-RDJZCZTQSA-N 2 2 292.492 3.391 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000168545972 321911155 /nfs/dbraw/zinc/91/11/55/321911155.db2.gz HLLILBPJCNYXHR-GJZGRUSLSA-N 2 2 262.441 3.283 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)c[nH+]1 ZINC000403165935 321969744 /nfs/dbraw/zinc/96/97/44/321969744.db2.gz BJKVUYOLEMLIFF-IXDOHACOSA-N 2 2 281.403 3.398 20 0 CGADLP CCc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000564091875 322020108 /nfs/dbraw/zinc/02/01/08/322020108.db2.gz ZLZRYGSDOPIJLY-QGZVFWFLSA-N 2 2 283.419 3.421 20 0 CGADLP CCCc1[nH+]ccn1CCCc1[nH]c2ccccc2[nH+]1 ZINC000565070757 322058098 /nfs/dbraw/zinc/05/80/98/322058098.db2.gz PRVNNZZJXCVVKK-UHFFFAOYSA-N 2 2 268.364 3.345 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2ccccc21 ZINC000566062398 322102039 /nfs/dbraw/zinc/10/20/39/322102039.db2.gz CVXQWBBXBWACPJ-HKUYNNGSSA-N 2 2 293.414 3.195 20 0 CGADLP C[C@@H](CC[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000567321371 322158707 /nfs/dbraw/zinc/15/87/07/322158707.db2.gz QJRQOSNOPNDNQZ-RDJZCZTQSA-N 2 2 292.492 3.207 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cn1 ZINC000567414857 322162556 /nfs/dbraw/zinc/16/25/56/322162556.db2.gz RFSYJJWOTRFSBX-LLVKDONJSA-N 2 2 290.798 3.119 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCCCn2cc[nH+]c2)c(F)c1 ZINC000567660697 322172237 /nfs/dbraw/zinc/17/22/37/322172237.db2.gz TXXGPLXVCCXTQX-UHFFFAOYSA-N 2 2 279.334 3.040 20 0 CGADLP C[C@H](CCc1ccco1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000570729065 322280736 /nfs/dbraw/zinc/28/07/36/322280736.db2.gz DAXSGEQBKSRYDK-CQSZACIVSA-N 2 2 296.374 3.353 20 0 CGADLP c1cn(CCCC[NH2+]C2CC(OCc3ccccc3)C2)c[nH+]1 ZINC000570878377 322284615 /nfs/dbraw/zinc/28/46/15/322284615.db2.gz FHEXNNHCORHNBB-UHFFFAOYSA-N 2 2 299.418 3.001 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000571220899 322293511 /nfs/dbraw/zinc/29/35/11/322293511.db2.gz KMSSOFKEELKHEX-BZUAXINKSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000571220899 322293513 /nfs/dbraw/zinc/29/35/13/322293513.db2.gz KMSSOFKEELKHEX-BZUAXINKSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000571372198 322297009 /nfs/dbraw/zinc/29/70/09/322297009.db2.gz YXVMRNOJEZLOCZ-OAHLLOKOSA-N 2 2 278.440 3.312 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000571372198 322297011 /nfs/dbraw/zinc/29/70/11/322297011.db2.gz YXVMRNOJEZLOCZ-OAHLLOKOSA-N 2 2 278.440 3.312 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000571372196 322297115 /nfs/dbraw/zinc/29/71/15/322297115.db2.gz YXVMRNOJEZLOCZ-HNNXBMFYSA-N 2 2 278.440 3.312 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000571372196 322297116 /nfs/dbraw/zinc/29/71/16/322297116.db2.gz YXVMRNOJEZLOCZ-HNNXBMFYSA-N 2 2 278.440 3.312 20 0 CGADLP [NH3+]CC1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000571431415 322298760 /nfs/dbraw/zinc/29/87/60/322298760.db2.gz BDDIUBVUARVPML-UHFFFAOYSA-N 2 2 288.439 3.001 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000573267702 322379134 /nfs/dbraw/zinc/37/91/34/322379134.db2.gz PVBZJZPKCNKVLI-UHFFFAOYSA-N 2 2 285.435 3.358 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1cc(F)ccc1F ZINC000573863824 322410742 /nfs/dbraw/zinc/41/07/42/322410742.db2.gz ZTHGEUVCNUTMPI-OAHLLOKOSA-N 2 2 279.334 3.248 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000574264035 322431487 /nfs/dbraw/zinc/43/14/87/322431487.db2.gz VPAPBQQQUMETAT-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1cc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000583396996 327342449 /nfs/dbraw/zinc/34/24/49/327342449.db2.gz BURMGBKEOJZXCO-CQSZACIVSA-N 2 2 296.374 3.062 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451845 329496613 /nfs/dbraw/zinc/49/66/13/329496613.db2.gz NGGKWTGCGJWWFO-CABCVRRESA-N 2 2 266.429 3.167 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000576148747 335160863 /nfs/dbraw/zinc/16/08/63/335160863.db2.gz UEZSVTROYMDUMO-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000576148747 335160865 /nfs/dbraw/zinc/16/08/65/335160865.db2.gz UEZSVTROYMDUMO-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP Cc1[nH+]c2ccccc2c(NCCCCn2cc[nH+]c2)c1C ZINC000576309002 335187734 /nfs/dbraw/zinc/18/77/34/335187734.db2.gz LDGYVOFCNFZWEY-UHFFFAOYSA-N 2 2 294.402 3.362 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@@H+]1C ZINC000576310294 335187949 /nfs/dbraw/zinc/18/79/49/335187949.db2.gz BFYLKAJRCWRXMS-RYUDHWBXSA-N 2 2 295.390 3.006 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@H+]1C ZINC000576310294 335187950 /nfs/dbraw/zinc/18/79/50/335187950.db2.gz BFYLKAJRCWRXMS-RYUDHWBXSA-N 2 2 295.390 3.006 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576397245 335198177 /nfs/dbraw/zinc/19/81/77/335198177.db2.gz ZLKHUPYSZSNLFP-RCCFBDPRSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576397245 335198178 /nfs/dbraw/zinc/19/81/78/335198178.db2.gz ZLKHUPYSZSNLFP-RCCFBDPRSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576397245 335198179 /nfs/dbraw/zinc/19/81/79/335198179.db2.gz ZLKHUPYSZSNLFP-RCCFBDPRSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576397245 335198180 /nfs/dbraw/zinc/19/81/80/335198180.db2.gz ZLKHUPYSZSNLFP-RCCFBDPRSA-N 2 2 294.483 3.140 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000580572403 335286032 /nfs/dbraw/zinc/28/60/32/335286032.db2.gz UYRDGNIDWQFLPK-NEPJUHHUSA-N 2 2 289.345 3.187 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000577204807 335322170 /nfs/dbraw/zinc/32/21/70/335322170.db2.gz KLWUUBPQHJFSGS-CQSZACIVSA-N 2 2 281.469 3.264 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000577493176 335359057 /nfs/dbraw/zinc/35/90/57/335359057.db2.gz WMGUDXDHGRUTKT-LLVKDONJSA-N 2 2 293.461 3.042 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000577493176 335359058 /nfs/dbraw/zinc/35/90/58/335359058.db2.gz WMGUDXDHGRUTKT-LLVKDONJSA-N 2 2 293.461 3.042 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000181672746 335777477 /nfs/dbraw/zinc/77/74/77/335777477.db2.gz KREBHLNXMKENDS-GJZGRUSLSA-N 2 2 291.439 3.067 20 0 CGADLP Cc1cc(NCC[C@H](C)[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000182339419 335811815 /nfs/dbraw/zinc/81/18/15/335811815.db2.gz KWROUBOZUCJWTM-AWEZNQCLSA-N 2 2 288.439 3.339 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000581067306 336003047 /nfs/dbraw/zinc/00/30/47/336003047.db2.gz HYHOYBRLWNJZQJ-PWSUYJOCSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000382081789 336081403 /nfs/dbraw/zinc/08/14/03/336081403.db2.gz WDTDDWXLAYEWRL-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000382081789 336081404 /nfs/dbraw/zinc/08/14/04/336081404.db2.gz WDTDDWXLAYEWRL-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581469227 336084652 /nfs/dbraw/zinc/08/46/52/336084652.db2.gz PFJBLWFBOIDFHU-MVJTYMMSSA-N 2 2 290.451 3.143 20 0 CGADLP CSCC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000385492915 336149074 /nfs/dbraw/zinc/14/90/74/336149074.db2.gz DJMZDNBJHVLLOB-UHFFFAOYSA-N 2 2 284.513 3.374 20 0 CGADLP F[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000581956283 336179400 /nfs/dbraw/zinc/17/94/00/336179400.db2.gz HGXPFBNVONWFIK-SFHVURJKSA-N 2 2 295.361 3.405 20 0 CGADLP F[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000581956283 336179401 /nfs/dbraw/zinc/17/94/01/336179401.db2.gz HGXPFBNVONWFIK-SFHVURJKSA-N 2 2 295.361 3.405 20 0 CGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000449131994 533906689 /nfs/dbraw/zinc/90/66/89/533906689.db2.gz QVDFJHLDKDLVCW-INIZCTEOSA-N 2 2 296.414 3.175 20 0 CGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000449131994 533906695 /nfs/dbraw/zinc/90/66/95/533906695.db2.gz QVDFJHLDKDLVCW-INIZCTEOSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414182608 533992811 /nfs/dbraw/zinc/99/28/11/533992811.db2.gz LUWUFRXVJBYHBK-MQIPJXDCSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414182608 533992818 /nfs/dbraw/zinc/99/28/18/533992818.db2.gz LUWUFRXVJBYHBK-MQIPJXDCSA-N 2 2 278.827 3.473 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])s2)o1 ZINC000424367227 534217924 /nfs/dbraw/zinc/21/79/24/534217924.db2.gz KWAVFJNGWHSUMA-CHWSQXEVSA-N 2 2 291.420 3.071 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2sccc21 ZINC000414129631 534256273 /nfs/dbraw/zinc/25/62/73/534256273.db2.gz VOMHFEDXIYLTMB-RISCZKNCSA-N 2 2 275.421 3.252 20 0 CGADLP Cc1ccncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000369561090 534417266 /nfs/dbraw/zinc/41/72/66/534417266.db2.gz MOUZQXIYBCDZGF-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423244450 534495289 /nfs/dbraw/zinc/49/52/89/534495289.db2.gz XNTHEHNJXGANKP-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP Fc1cccc(C2CC([NH2+]Cc3c[nH+]c4n3CCCC4)C2)c1 ZINC000367435108 534515489 /nfs/dbraw/zinc/51/54/89/534515489.db2.gz ARYGCPIBMGABIL-UHFFFAOYSA-N 2 2 299.393 3.394 20 0 CGADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000437592366 534527929 /nfs/dbraw/zinc/52/79/29/534527929.db2.gz QRDMEJJHUCOXCV-LBPRGKRZSA-N 2 2 298.365 3.410 20 0 CGADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000437592366 534527935 /nfs/dbraw/zinc/52/79/35/534527935.db2.gz QRDMEJJHUCOXCV-LBPRGKRZSA-N 2 2 298.365 3.410 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@H](C3CC3)C1)CCCC2 ZINC000367438684 534537374 /nfs/dbraw/zinc/53/73/74/534537374.db2.gz OPSAGHONIDVGAB-GJZGRUSLSA-N 2 2 273.424 3.278 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000337879432 521643264 /nfs/dbraw/zinc/64/32/64/521643264.db2.gz QOGNXMYFZNTWQI-IIAWOOMASA-N 2 2 276.424 3.225 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000337879432 521643266 /nfs/dbraw/zinc/64/32/66/521643266.db2.gz QOGNXMYFZNTWQI-IIAWOOMASA-N 2 2 276.424 3.225 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000339292798 524872532 /nfs/dbraw/zinc/87/25/32/524872532.db2.gz AONMHSLLNIKYNL-IUODEOHRSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000339292798 524872542 /nfs/dbraw/zinc/87/25/42/524872542.db2.gz AONMHSLLNIKYNL-IUODEOHRSA-N 2 2 278.827 3.363 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000156311804 526386772 /nfs/dbraw/zinc/38/67/72/526386772.db2.gz JUGZETXXWKGDNB-CQSZACIVSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000156311804 526386775 /nfs/dbraw/zinc/38/67/75/526386775.db2.gz JUGZETXXWKGDNB-CQSZACIVSA-N 2 2 290.313 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1SC ZINC000358053648 527899264 /nfs/dbraw/zinc/89/92/64/527899264.db2.gz WFVTXJPRGWBKNE-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1SC ZINC000358053648 527899271 /nfs/dbraw/zinc/89/92/71/527899271.db2.gz WFVTXJPRGWBKNE-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1SC ZINC000358053648 527899276 /nfs/dbraw/zinc/89/92/76/527899276.db2.gz WFVTXJPRGWBKNE-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1SC ZINC000358053648 527899280 /nfs/dbraw/zinc/89/92/80/527899280.db2.gz WFVTXJPRGWBKNE-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000359662065 527973341 /nfs/dbraw/zinc/97/33/41/527973341.db2.gz IVJVQPMJUCLBOA-NJZAAPMLSA-N 2 2 264.438 3.129 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000359662065 527973347 /nfs/dbraw/zinc/97/33/47/527973347.db2.gz IVJVQPMJUCLBOA-NJZAAPMLSA-N 2 2 264.438 3.129 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000358157914 528119637 /nfs/dbraw/zinc/11/96/37/528119637.db2.gz HMYRUGQZDCEGFV-UHFFFAOYSA-N 2 2 264.800 3.082 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000358157914 528119643 /nfs/dbraw/zinc/11/96/43/528119643.db2.gz HMYRUGQZDCEGFV-UHFFFAOYSA-N 2 2 264.800 3.082 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436267381 528138133 /nfs/dbraw/zinc/13/81/33/528138133.db2.gz QSWXFIHZJVEQRW-QZTJIDSGSA-N 2 2 274.452 3.329 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423231337 528164045 /nfs/dbraw/zinc/16/40/45/528164045.db2.gz GJAOMTJZSJUZBK-GDBMZVCRSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cs1 ZINC000423350062 528313868 /nfs/dbraw/zinc/31/38/68/528313868.db2.gz WSUZSMTZHXNWNH-SWLSCSKDSA-N 2 2 281.469 3.307 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1CNCc1c[nH+]cn1C(C)C ZINC000424142797 528467479 /nfs/dbraw/zinc/46/74/79/528467479.db2.gz FHQDTWQRPDWPEI-MRXNPFEDSA-N 2 2 292.471 3.208 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1CNCc1c[nH+]cn1C(C)C ZINC000424142797 528467483 /nfs/dbraw/zinc/46/74/83/528467483.db2.gz FHQDTWQRPDWPEI-MRXNPFEDSA-N 2 2 292.471 3.208 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000423308966 528512274 /nfs/dbraw/zinc/51/22/74/528512274.db2.gz KKJQQQLUXRVJKP-AWEZNQCLSA-N 2 2 264.413 3.126 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423267378 528535545 /nfs/dbraw/zinc/53/55/45/528535545.db2.gz FLUAISBEVHPJLN-ZWKOTPCHSA-N 2 2 286.394 3.488 20 0 CGADLP CCOC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449349744 528884521 /nfs/dbraw/zinc/88/45/21/528884521.db2.gz GZOBEKRDJGWKDQ-GFCCVEGCSA-N 2 2 293.798 3.040 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423267312 529067936 /nfs/dbraw/zinc/06/79/36/529067936.db2.gz FFRZRHZTERYOMF-QGZVFWFLSA-N 2 2 266.388 3.329 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436271387 529091738 /nfs/dbraw/zinc/09/17/38/529091738.db2.gz DTRUROZTXTVRBM-OTWHNJEPSA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436271387 529091747 /nfs/dbraw/zinc/09/17/47/529091747.db2.gz DTRUROZTXTVRBM-OTWHNJEPSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)s1 ZINC000414129722 529169924 /nfs/dbraw/zinc/16/99/24/529169924.db2.gz VVLWSLYFGMRZAR-LLVKDONJSA-N 2 2 283.828 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1F ZINC000163458548 529176016 /nfs/dbraw/zinc/17/60/16/529176016.db2.gz BPFXFNLSZNWTDQ-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1F ZINC000163458548 529176018 /nfs/dbraw/zinc/17/60/18/529176018.db2.gz BPFXFNLSZNWTDQ-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423330863 529178418 /nfs/dbraw/zinc/17/84/18/529178418.db2.gz UICOWUPRJCTVNC-QWHCGFSZSA-N 2 2 270.779 3.257 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000519368845 572333323 /nfs/dbraw/zinc/33/33/23/572333323.db2.gz AISFCQYYFUXSPR-OKDNKWQNSA-N 2 2 272.436 3.456 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)COc3ccccc3)c[nH+]c12 ZINC000742369539 572568375 /nfs/dbraw/zinc/56/83/75/572568375.db2.gz JSKOMZCERCTLHX-HNNXBMFYSA-N 2 2 295.386 3.200 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)[NH+]1CCCCC1 ZINC000806130801 617834512 /nfs/dbraw/zinc/83/45/12/617834512.db2.gz DGLDAHLPJRQYGW-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891571264 618239370 /nfs/dbraw/zinc/23/93/70/618239370.db2.gz ORICADMOTDMVIC-UHFFFAOYSA-N 2 2 288.439 3.337 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000891724556 618265456 /nfs/dbraw/zinc/26/54/56/618265456.db2.gz FOKBJPQJGBIKMB-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000891724556 618265464 /nfs/dbraw/zinc/26/54/64/618265464.db2.gz FOKBJPQJGBIKMB-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000892087052 618522954 /nfs/dbraw/zinc/52/29/54/618522954.db2.gz YTQNRDKQRQHXLH-HNNXBMFYSA-N 2 2 292.423 3.129 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000892087052 618522958 /nfs/dbraw/zinc/52/29/58/618522958.db2.gz YTQNRDKQRQHXLH-HNNXBMFYSA-N 2 2 292.423 3.129 20 0 CGADLP C1C[C@H]2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]1S2 ZINC000926677430 618817303 /nfs/dbraw/zinc/81/73/03/618817303.db2.gz YGEIOVYVVNIMMY-GWONACJQSA-N 2 2 280.481 3.020 20 0 CGADLP C1C[C@H]2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]1S2 ZINC000926677430 618817306 /nfs/dbraw/zinc/81/73/06/618817306.db2.gz YGEIOVYVVNIMMY-GWONACJQSA-N 2 2 280.481 3.020 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559967 618833001 /nfs/dbraw/zinc/83/30/01/618833001.db2.gz NRKGLXMKIPUWMD-YOEHRIQHSA-N 2 2 290.451 3.049 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559967 618833003 /nfs/dbraw/zinc/83/30/03/618833003.db2.gz NRKGLXMKIPUWMD-YOEHRIQHSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746710 618858604 /nfs/dbraw/zinc/85/86/04/618858604.db2.gz SMLUVHZPBKBLBK-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746710 618858607 /nfs/dbraw/zinc/85/86/07/618858607.db2.gz SMLUVHZPBKBLBK-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926845106 618934109 /nfs/dbraw/zinc/93/41/09/618934109.db2.gz KNXSXDVADANPMK-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926845106 618934111 /nfs/dbraw/zinc/93/41/11/618934111.db2.gz KNXSXDVADANPMK-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000925563621 619062102 /nfs/dbraw/zinc/06/21/02/619062102.db2.gz OSGDQPGXZOVBQO-BFHYXJOUSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000925563621 619062103 /nfs/dbraw/zinc/06/21/03/619062103.db2.gz OSGDQPGXZOVBQO-BFHYXJOUSA-N 2 2 272.383 3.171 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925616680 619089609 /nfs/dbraw/zinc/08/96/09/619089609.db2.gz AAZLOMDHYQEQHI-YUTCNCBUSA-N 2 2 268.351 3.242 20 0 CGADLP CC[C@H](OCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925714184 619159596 /nfs/dbraw/zinc/15/95/96/619159596.db2.gz WJEZORUPYGKTML-IRXDYDNUSA-N 2 2 288.435 3.029 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893486889 619190254 /nfs/dbraw/zinc/19/02/54/619190254.db2.gz DRYQCWIDQYKAHE-UONOGXRCSA-N 2 2 292.423 3.031 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893486889 619190255 /nfs/dbraw/zinc/19/02/55/619190255.db2.gz DRYQCWIDQYKAHE-UONOGXRCSA-N 2 2 292.423 3.031 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(Cl)n1 ZINC000925764529 619224869 /nfs/dbraw/zinc/22/48/69/619224869.db2.gz GPXZPSWQJKCTCL-DZGCQCFKSA-N 2 2 295.858 3.444 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]CCCCn2cc[nH+]c2)n1 ZINC000094965810 619291217 /nfs/dbraw/zinc/29/12/17/619291217.db2.gz NICOJRICWOQJER-UHFFFAOYSA-N 2 2 292.452 3.207 20 0 CGADLP C[N@H+](Cc1cc(O)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894418102 619529459 /nfs/dbraw/zinc/52/94/59/619529459.db2.gz ZTPRDWIQGNLFBO-YIONKMFJSA-N 2 2 294.826 3.103 20 0 CGADLP C[N@@H+](Cc1cc(O)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894418102 619529462 /nfs/dbraw/zinc/52/94/62/619529462.db2.gz ZTPRDWIQGNLFBO-YIONKMFJSA-N 2 2 294.826 3.103 20 0 CGADLP C[NH+](Cc1cc(O)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894418102 619529466 /nfs/dbraw/zinc/52/94/66/619529466.db2.gz ZTPRDWIQGNLFBO-YIONKMFJSA-N 2 2 294.826 3.103 20 0 CGADLP C[NH+](Cc1cc(O)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894418102 619529470 /nfs/dbraw/zinc/52/94/70/619529470.db2.gz ZTPRDWIQGNLFBO-YIONKMFJSA-N 2 2 294.826 3.103 20 0 CGADLP CSc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000894748954 619620073 /nfs/dbraw/zinc/62/00/73/619620073.db2.gz VBLYQSRCRZQKSI-FUNVUKJBSA-N 2 2 280.437 3.059 20 0 CGADLP CSc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000894748954 619620076 /nfs/dbraw/zinc/62/00/76/619620076.db2.gz VBLYQSRCRZQKSI-FUNVUKJBSA-N 2 2 280.437 3.059 20 0 CGADLP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000894748954 619620080 /nfs/dbraw/zinc/62/00/80/619620080.db2.gz VBLYQSRCRZQKSI-FUNVUKJBSA-N 2 2 280.437 3.059 20 0 CGADLP CSc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000894748954 619620086 /nfs/dbraw/zinc/62/00/86/619620086.db2.gz VBLYQSRCRZQKSI-FUNVUKJBSA-N 2 2 280.437 3.059 20 0 CGADLP COCCCC1(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000895316687 619804442 /nfs/dbraw/zinc/80/44/42/619804442.db2.gz HJIJVRZSLIXFAS-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP COCCCC1(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCC1 ZINC000895316687 619804444 /nfs/dbraw/zinc/80/44/44/619804444.db2.gz HJIJVRZSLIXFAS-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc(C)c1O ZINC000897982506 620462425 /nfs/dbraw/zinc/46/24/25/620462425.db2.gz LZNLXQLZXGFFLN-UHFFFAOYSA-N 2 2 288.435 3.116 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032060 620470251 /nfs/dbraw/zinc/47/02/51/620470251.db2.gz URPYONABTIHUSV-DOMZBBRYSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032060 620470252 /nfs/dbraw/zinc/47/02/52/620470252.db2.gz URPYONABTIHUSV-DOMZBBRYSA-N 2 2 286.410 3.274 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109975 620577931 /nfs/dbraw/zinc/57/79/31/620577931.db2.gz PHEXOOYDFQZDEA-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109975 620577937 /nfs/dbraw/zinc/57/79/37/620577937.db2.gz PHEXOOYDFQZDEA-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902412828 621303569 /nfs/dbraw/zinc/30/35/69/621303569.db2.gz GFMZOPHGZKMHKI-HNNXBMFYSA-N 2 2 274.408 3.105 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435254 621318514 /nfs/dbraw/zinc/31/85/14/621318514.db2.gz ARMGXHSYJZRLKR-NILFDRSVSA-N 2 2 278.465 3.121 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444674 621322317 /nfs/dbraw/zinc/32/23/17/621322317.db2.gz NSODDVRHVITMLS-UPRAQXHNSA-N 2 2 296.414 3.361 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000902473121 621324229 /nfs/dbraw/zinc/32/42/29/621324229.db2.gz RKQOLJLUEUYVQC-REBRKWNGSA-N 2 2 296.361 3.222 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000902475979 621325695 /nfs/dbraw/zinc/32/56/95/621325695.db2.gz KUPVXRVQILRQFZ-NUDXDXSLSA-N 2 2 293.414 3.292 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CCC2)cc1 ZINC000902466280 621338676 /nfs/dbraw/zinc/33/86/76/621338676.db2.gz MGOIRDCZTNXSDB-XDNAFOTISA-N 2 2 270.420 3.319 20 0 CGADLP CCOCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902756366 621426778 /nfs/dbraw/zinc/42/67/78/621426778.db2.gz XNUXTPQQQZNLCP-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP C[C@H]([NH2+]CCc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902783080 621439756 /nfs/dbraw/zinc/43/97/56/621439756.db2.gz WGCVTBZRIQCKCC-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902803285 621442097 /nfs/dbraw/zinc/44/20/97/621442097.db2.gz UYRCYXLRJDCTET-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903082005 621563120 /nfs/dbraw/zinc/56/31/20/621563120.db2.gz QRPPGMUSNWLMBX-LERXQTSPSA-N 2 2 295.308 3.474 20 0 CGADLP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085095 621565063 /nfs/dbraw/zinc/56/50/63/621565063.db2.gz PXOJPTCNTJIYSA-SQWLQELKSA-N 2 2 287.407 3.072 20 0 CGADLP CCC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073181 621571119 /nfs/dbraw/zinc/57/11/19/621571119.db2.gz OIPZMYGIKIKALL-GOEBONIOSA-N 2 2 287.407 3.074 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903335213 621691220 /nfs/dbraw/zinc/69/12/20/621691220.db2.gz MKLPSBWLFQNRTK-ZIAGYGMSSA-N 2 2 287.407 3.336 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ncc(C3CC3)o2)CCC1 ZINC000903811000 621813644 /nfs/dbraw/zinc/81/36/44/621813644.db2.gz IRRQJWFDIYEPLK-HNNXBMFYSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ncc(C3CC3)o2)CCC1 ZINC000903811000 621813646 /nfs/dbraw/zinc/81/36/46/621813646.db2.gz IRRQJWFDIYEPLK-HNNXBMFYSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cn2)CCC1 ZINC000903812473 621814825 /nfs/dbraw/zinc/81/48/25/621814825.db2.gz TZRSEIAJGRLDHH-HNNXBMFYSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cn2)CCC1 ZINC000903812473 621814826 /nfs/dbraw/zinc/81/48/26/621814826.db2.gz TZRSEIAJGRLDHH-HNNXBMFYSA-N 2 2 293.842 3.219 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858211 621821821 /nfs/dbraw/zinc/82/18/21/621821821.db2.gz HPLHACIFMIFBEJ-WMZOPIPTSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858211 621821823 /nfs/dbraw/zinc/82/18/23/621821823.db2.gz HPLHACIFMIFBEJ-WMZOPIPTSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903883025 621825989 /nfs/dbraw/zinc/82/59/89/621825989.db2.gz DLWCOSGJAYGIDX-OCCSQVGLSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903883025 621825991 /nfs/dbraw/zinc/82/59/91/621825991.db2.gz DLWCOSGJAYGIDX-OCCSQVGLSA-N 2 2 268.351 3.114 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1F ZINC000903922846 621833652 /nfs/dbraw/zinc/83/36/52/621833652.db2.gz GFANSTARCDJNPW-MFKMUULPSA-N 2 2 292.320 3.378 20 0 CGADLP CCC1([NH3+])CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000903946054 621839653 /nfs/dbraw/zinc/83/96/53/621839653.db2.gz HFJIUMUUFCSOQQ-ONEGZZNKSA-N 2 2 280.362 3.181 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904353043 621911437 /nfs/dbraw/zinc/91/14/37/621911437.db2.gz GULXPINZEFHSRG-LLVKDONJSA-N 2 2 274.330 3.226 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cncc(F)c1 ZINC000904371515 621914166 /nfs/dbraw/zinc/91/41/66/621914166.db2.gz PEPDPWFZBKUSIG-FZMZJTMJSA-N 2 2 267.392 3.025 20 0 CGADLP CCCC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000906527399 622243985 /nfs/dbraw/zinc/24/39/85/622243985.db2.gz HLZDSLIHPWBDGH-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP CCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151042546 622725193 /nfs/dbraw/zinc/72/51/93/622725193.db2.gz WZBUXGVCMVSPNT-UHFFFAOYSA-N 2 2 275.440 3.111 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191701 623304029 /nfs/dbraw/zinc/30/40/29/623304029.db2.gz MDHZYVGLOFOHFD-RISCZKNCSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191701 623304039 /nfs/dbraw/zinc/30/40/39/623304039.db2.gz MDHZYVGLOFOHFD-RISCZKNCSA-N 2 2 286.341 3.407 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000753727267 623502145 /nfs/dbraw/zinc/50/21/45/623502145.db2.gz WSNILSKSYPFYOP-MRXNPFEDSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1ccnn1C1CCC1)C(C)C ZINC000921805856 625883135 /nfs/dbraw/zinc/88/31/35/625883135.db2.gz IYPGGOMMXROCFW-UHFFFAOYSA-N 2 2 292.471 3.207 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000929261066 625968733 /nfs/dbraw/zinc/96/87/33/625968733.db2.gz YYAZRCWIGNVLKN-SGIREYDYSA-N 2 2 261.413 3.427 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000922837470 626054558 /nfs/dbraw/zinc/05/45/58/626054558.db2.gz OPGIBGBMNYCIPW-RYUDHWBXSA-N 2 2 293.461 3.308 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000754129332 626559657 /nfs/dbraw/zinc/55/96/57/626559657.db2.gz OREXRNVOUQOHBX-GJZGRUSLSA-N 2 2 287.451 3.285 20 0 CGADLP c1cn(CC[NH2+]C(C2CCCC2)C2CCCC2)c[nH+]1 ZINC000754144904 626560413 /nfs/dbraw/zinc/56/04/13/626560413.db2.gz SCHHSJVCZVVGFZ-UHFFFAOYSA-N 2 2 261.413 3.222 20 0 CGADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000757651535 626797301 /nfs/dbraw/zinc/79/73/01/626797301.db2.gz IPNGXMCWELOAQT-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP COC1(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCC1 ZINC000759969277 626933257 /nfs/dbraw/zinc/93/32/57/626933257.db2.gz IXMPYHJOUOFWRC-LSDHHAIUSA-N 2 2 293.455 3.235 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCOCC1 ZINC000765248415 627243464 /nfs/dbraw/zinc/24/34/64/627243464.db2.gz DATZSOBDQDKQQH-JKSUJKDBSA-N 2 2 293.455 3.093 20 0 CGADLP C[N@H+](Cc1ccoc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329836 627542564 /nfs/dbraw/zinc/54/25/64/627542564.db2.gz VAWHSOQOTTZVNV-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP C[N@@H+](Cc1ccoc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769329836 627542567 /nfs/dbraw/zinc/54/25/67/627542567.db2.gz VAWHSOQOTTZVNV-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000774135014 627949490 /nfs/dbraw/zinc/94/94/90/627949490.db2.gz RKFMPBZJBSDQFE-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000774380743 627984244 /nfs/dbraw/zinc/98/42/44/627984244.db2.gz SFAITLVWIFZNIA-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000774380743 627984252 /nfs/dbraw/zinc/98/42/52/627984252.db2.gz SFAITLVWIFZNIA-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](CC[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775048224 628056117 /nfs/dbraw/zinc/05/61/17/628056117.db2.gz ICUJRECJEPBHKS-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](CC[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775048224 628056122 /nfs/dbraw/zinc/05/61/22/628056122.db2.gz ICUJRECJEPBHKS-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000775953018 628153404 /nfs/dbraw/zinc/15/34/04/628153404.db2.gz ZHFJSLHSJZWGIZ-IRXDYDNUSA-N 2 2 274.452 3.329 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777609881 628288646 /nfs/dbraw/zinc/28/86/46/628288646.db2.gz GRUYMYFGBCSFBI-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000783242707 628693145 /nfs/dbraw/zinc/69/31/45/628693145.db2.gz GXIFTUZQIHZPSD-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000783242707 628693146 /nfs/dbraw/zinc/69/31/46/628693146.db2.gz GXIFTUZQIHZPSD-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCCC1 ZINC000783598056 628730310 /nfs/dbraw/zinc/73/03/10/628730310.db2.gz DOHBOQYOSBNEOE-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788507858 629060598 /nfs/dbraw/zinc/06/05/98/629060598.db2.gz RTAFPIIXNASSGW-CYBMUJFWSA-N 2 2 281.831 3.042 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788507858 629060602 /nfs/dbraw/zinc/06/06/02/629060602.db2.gz RTAFPIIXNASSGW-CYBMUJFWSA-N 2 2 281.831 3.042 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806151497 629215483 /nfs/dbraw/zinc/21/54/83/629215483.db2.gz GGOATSUPWZZNQK-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000793532730 629477187 /nfs/dbraw/zinc/47/71/87/629477187.db2.gz JHFDYLSZXOZTMF-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000793532730 629477191 /nfs/dbraw/zinc/47/71/91/629477191.db2.gz JHFDYLSZXOZTMF-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863542338 629602012 /nfs/dbraw/zinc/60/20/12/629602012.db2.gz PUNVQJXCBWFHFW-CZUORRHYSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@H](CC[NH+]1CCC(F)(F)CC1)[NH+]1CCC(F)(F)CC1 ZINC000796541030 629799152 /nfs/dbraw/zinc/79/91/52/629799152.db2.gz NJZHHZDLIMBIRE-GFCCVEGCSA-N 2 2 296.352 3.227 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000796704344 629817586 /nfs/dbraw/zinc/81/75/86/629817586.db2.gz OAYZEUHNUOEHJH-OCCSQVGLSA-N 2 2 296.842 3.402 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000796704344 629817592 /nfs/dbraw/zinc/81/75/92/629817592.db2.gz OAYZEUHNUOEHJH-OCCSQVGLSA-N 2 2 296.842 3.402 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@H]3CCSC3)c2)c[nH+]1 ZINC000865651938 630252528 /nfs/dbraw/zinc/25/25/28/630252528.db2.gz JXIGCEPJJAJDSQ-LBPRGKRZSA-N 2 2 293.461 3.167 20 0 CGADLP C[Si](C)(C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405380 630274888 /nfs/dbraw/zinc/27/48/88/630274888.db2.gz HWAGZFMJXPVHBX-AWEZNQCLSA-N 2 2 291.515 3.276 20 0 CGADLP C[Si](C)(C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405380 630274891 /nfs/dbraw/zinc/27/48/91/630274891.db2.gz HWAGZFMJXPVHBX-AWEZNQCLSA-N 2 2 291.515 3.276 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800980391 630317335 /nfs/dbraw/zinc/31/73/35/630317335.db2.gz YROOGJYXYQHWEP-QGTPRVQTSA-N 2 2 285.435 3.039 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000810148448 630847254 /nfs/dbraw/zinc/84/72/54/630847254.db2.gz ZSKYFPDCVHUJHJ-BPUTZDHNSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000810148448 630847256 /nfs/dbraw/zinc/84/72/56/630847256.db2.gz ZSKYFPDCVHUJHJ-BPUTZDHNSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817897525 632231423 /nfs/dbraw/zinc/23/14/23/632231423.db2.gz RNGHFCHDUZMBCI-RDTXWAMCSA-N 2 2 286.394 3.182 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817897523 632231852 /nfs/dbraw/zinc/23/18/52/632231852.db2.gz RNGHFCHDUZMBCI-KDOFPFPSSA-N 2 2 286.394 3.182 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1SC(C)(C)C ZINC000817935669 632237952 /nfs/dbraw/zinc/23/79/52/632237952.db2.gz YKMWKNPPWKTGCU-NSHDSACASA-N 2 2 252.427 3.187 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccn1 ZINC000866350481 633093316 /nfs/dbraw/zinc/09/33/16/633093316.db2.gz CELDXONHNDVMDT-HTWSVDAQSA-N 2 2 287.451 3.385 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2S1 ZINC000872017373 633937870 /nfs/dbraw/zinc/93/78/70/633937870.db2.gz ANMNJQOXKVNSQF-CQSZACIVSA-N 2 2 287.432 3.488 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc3C1)CC2 ZINC000872062694 633985075 /nfs/dbraw/zinc/98/50/75/633985075.db2.gz JHKPWYXCAQGAGB-ROUUACIJSA-N 2 2 295.430 3.125 20 0 CGADLP Cc1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)ccc1Cl ZINC000873230485 634293088 /nfs/dbraw/zinc/29/30/88/634293088.db2.gz SDIKNBQJGGHOAX-CABCVRRESA-N 2 2 264.800 3.023 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]1 ZINC000873280493 634316071 /nfs/dbraw/zinc/31/60/71/634316071.db2.gz BCDQDADCVOULNP-QWRGUYRKSA-N 2 2 292.370 3.387 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(OCC[NH+](C)C)cc1OC ZINC000840959060 635094445 /nfs/dbraw/zinc/09/44/45/635094445.db2.gz OXYDUBGHJYIEPW-ZDUSSCGKSA-N 2 2 280.412 3.094 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000877650846 635130984 /nfs/dbraw/zinc/13/09/84/635130984.db2.gz OLAFXOZWXZZRLA-DGCLKSJQSA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000877650846 635130988 /nfs/dbraw/zinc/13/09/88/635130988.db2.gz OLAFXOZWXZZRLA-DGCLKSJQSA-N 2 2 291.266 3.177 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163357 635388132 /nfs/dbraw/zinc/38/81/32/635388132.db2.gz QQSIRUIBKCXGFA-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163357 635388136 /nfs/dbraw/zinc/38/81/36/635388136.db2.gz QQSIRUIBKCXGFA-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163357 635388140 /nfs/dbraw/zinc/38/81/40/635388140.db2.gz QQSIRUIBKCXGFA-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163357 635388144 /nfs/dbraw/zinc/38/81/44/635388144.db2.gz QQSIRUIBKCXGFA-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CC3CC4(CCC4)C3)CC2)[nH]1 ZINC000878173498 635395400 /nfs/dbraw/zinc/39/54/00/635395400.db2.gz XZLPMFVVZRSSMT-UHFFFAOYSA-N 2 2 259.397 3.169 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)co1 ZINC000878319554 635459283 /nfs/dbraw/zinc/45/92/83/635459283.db2.gz VWCJQGNXFGGVNU-UHFFFAOYSA-N 2 2 287.285 3.017 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)co1 ZINC000878319554 635459288 /nfs/dbraw/zinc/45/92/88/635459288.db2.gz VWCJQGNXFGGVNU-UHFFFAOYSA-N 2 2 287.285 3.017 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1Cl ZINC000843360428 635654119 /nfs/dbraw/zinc/65/41/19/635654119.db2.gz WBZNTYUBTVHGCG-AGUYFDCRSA-N 2 2 282.790 3.323 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1Cl ZINC000843360428 635654121 /nfs/dbraw/zinc/65/41/21/635654121.db2.gz WBZNTYUBTVHGCG-AGUYFDCRSA-N 2 2 282.790 3.323 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136762 635922792 /nfs/dbraw/zinc/92/27/92/635922792.db2.gz RTTNGWKLPIGPNW-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136762 635922794 /nfs/dbraw/zinc/92/27/94/635922794.db2.gz RTTNGWKLPIGPNW-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC000880136762 635922798 /nfs/dbraw/zinc/92/27/98/635922798.db2.gz RTTNGWKLPIGPNW-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC000880136762 635922802 /nfs/dbraw/zinc/92/28/02/635922802.db2.gz RTTNGWKLPIGPNW-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207804 635938580 /nfs/dbraw/zinc/93/85/80/635938580.db2.gz MFUKCMVQXMOXMO-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207804 635938587 /nfs/dbraw/zinc/93/85/87/635938587.db2.gz MFUKCMVQXMOXMO-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000880469666 636006691 /nfs/dbraw/zinc/00/66/91/636006691.db2.gz CSGJSKOCUKYGAA-UITAMQMPSA-N 2 2 270.420 3.260 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000880473499 636007506 /nfs/dbraw/zinc/00/75/06/636007506.db2.gz GKEJEXSYWDCBGH-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000880570638 636023860 /nfs/dbraw/zinc/02/38/60/636023860.db2.gz XJSMTDDTIXILOB-ZWKOTPCHSA-N 2 2 299.418 3.029 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883265967 636637601 /nfs/dbraw/zinc/63/76/01/636637601.db2.gz OZFXTAGOBPTGBW-CXAGYDPISA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883265967 636637605 /nfs/dbraw/zinc/63/76/05/636637605.db2.gz OZFXTAGOBPTGBW-CXAGYDPISA-N 2 2 288.435 3.145 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388088 636731013 /nfs/dbraw/zinc/73/10/13/636731013.db2.gz LWWFAXJLPJKPPL-JKSUJKDBSA-N 2 2 269.392 3.403 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397858 636740391 /nfs/dbraw/zinc/74/03/91/636740391.db2.gz XPCYZHLRDGTUMK-DOTOQJQBSA-N 2 2 287.407 3.028 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000885918848 637312079 /nfs/dbraw/zinc/31/20/79/637312079.db2.gz AXMZLHAIZGWAPO-IRXDYDNUSA-N 2 2 296.499 3.434 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000885990102 637344356 /nfs/dbraw/zinc/34/43/56/637344356.db2.gz BHFOYVFCRNKZOL-AWEZNQCLSA-N 2 2 283.847 3.191 20 0 CGADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000886543840 637571438 /nfs/dbraw/zinc/57/14/38/637571438.db2.gz WGBWAHWSOINVEG-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000886543840 637571447 /nfs/dbraw/zinc/57/14/47/637571447.db2.gz WGBWAHWSOINVEG-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1F ZINC000111038686 637736585 /nfs/dbraw/zinc/73/65/85/637736585.db2.gz VWJBNONYEXBOHK-AWEZNQCLSA-N 2 2 293.361 3.366 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000221972054 637771345 /nfs/dbraw/zinc/77/13/45/637771345.db2.gz JUYKAKCKJTVRIK-WMLDXEAASA-N 2 2 280.431 3.323 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(SC(F)F)cc1 ZINC000854228462 638028973 /nfs/dbraw/zinc/02/89/73/638028973.db2.gz WNZAUOFSEOEBCO-NLTNOIMHSA-N 2 2 298.402 3.404 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142165 638460166 /nfs/dbraw/zinc/46/01/66/638460166.db2.gz NVVWHPCEMWITII-IJEWVQPXSA-N 2 2 299.418 3.475 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142165 638460170 /nfs/dbraw/zinc/46/01/70/638460170.db2.gz NVVWHPCEMWITII-IJEWVQPXSA-N 2 2 299.418 3.475 20 0 CGADLP CC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925675933 638566065 /nfs/dbraw/zinc/56/60/65/638566065.db2.gz IBJDFTIWPZYZPS-ZDUSSCGKSA-N 2 2 268.351 3.028 20 0 CGADLP Cc1cc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]c1C ZINC000925768835 638604267 /nfs/dbraw/zinc/60/42/67/638604267.db2.gz LHYJPEDYOSBOLV-HZPDHXFCSA-N 2 2 253.349 3.255 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc2ccccc21 ZINC000925787544 638614973 /nfs/dbraw/zinc/61/49/73/638614973.db2.gz VAVXGTCXJZCFSW-IIYDPXPESA-N 2 2 254.377 3.098 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925871810 638637239 /nfs/dbraw/zinc/63/72/39/638637239.db2.gz ITAJZZJIQDKPMI-JCGIZDLHSA-N 2 2 295.430 3.007 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000926367489 638766986 /nfs/dbraw/zinc/76/69/86/638766986.db2.gz MMJVKYWNFZOQSV-RYUDHWBXSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000926367489 638766987 /nfs/dbraw/zinc/76/69/87/638766987.db2.gz MMJVKYWNFZOQSV-RYUDHWBXSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450520 638772621 /nfs/dbraw/zinc/77/26/21/638772621.db2.gz OALNKYREXAMFAN-WWGRRREGSA-N 2 2 273.424 3.382 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](C1CCC1)C1CCCC1)C2 ZINC000926451006 638772725 /nfs/dbraw/zinc/77/27/25/638772725.db2.gz VCLHIALYLYXOEH-YOEHRIQHSA-N 2 2 273.424 3.216 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(Cl)Cl ZINC000926520996 638781167 /nfs/dbraw/zinc/78/11/67/638781167.db2.gz SMCIWLARPSHBAY-YNEHKIRRSA-N 2 2 291.266 3.177 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1(Cl)Cl ZINC000926520996 638781168 /nfs/dbraw/zinc/78/11/68/638781168.db2.gz SMCIWLARPSHBAY-YNEHKIRRSA-N 2 2 291.266 3.177 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746232 638806640 /nfs/dbraw/zinc/80/66/40/638806640.db2.gz QTTHGHGOQXQVBB-SQNIBIBYSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746232 638806643 /nfs/dbraw/zinc/80/66/43/638806643.db2.gz QTTHGHGOQXQVBB-SQNIBIBYSA-N 2 2 294.483 3.044 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]C1CC2(C1)CCCC2)c1cccnc1 ZINC000926896423 638822791 /nfs/dbraw/zinc/82/27/91/638822791.db2.gz FRIAPMRPFKOIRM-QGZVFWFLSA-N 2 2 287.451 3.387 20 0 CGADLP C[N@@H+](Cc1cnc(-c2ccccc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000929701652 638942717 /nfs/dbraw/zinc/94/27/17/638942717.db2.gz LNHOKDJLMNLNJX-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cnc(-c2ccccc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000929701652 638942720 /nfs/dbraw/zinc/94/27/20/638942720.db2.gz LNHOKDJLMNLNJX-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000929701652 638942722 /nfs/dbraw/zinc/94/27/22/638942722.db2.gz LNHOKDJLMNLNJX-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929701652 638942724 /nfs/dbraw/zinc/94/27/24/638942724.db2.gz LNHOKDJLMNLNJX-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992349 638966618 /nfs/dbraw/zinc/96/66/18/638966618.db2.gz QFSLGJYAQLKKFL-HNNXBMFYSA-N 2 2 273.355 3.259 20 0 CGADLP FCc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992349 638966620 /nfs/dbraw/zinc/96/66/20/638966620.db2.gz QFSLGJYAQLKKFL-HNNXBMFYSA-N 2 2 273.355 3.259 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931707111 639194290 /nfs/dbraw/zinc/19/42/90/639194290.db2.gz NDPBTKUXNSLKCP-PVAVHDDUSA-N 2 2 269.392 3.260 20 0 CGADLP c1cn(CCC[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c[nH+]1 ZINC000859927247 639255722 /nfs/dbraw/zinc/25/57/22/639255722.db2.gz BVTIMAHWHZRLSU-OKZBNKHCSA-N 2 2 281.403 3.009 20 0 CGADLP c1cn(CCC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c[nH+]1 ZINC000859927247 639255726 /nfs/dbraw/zinc/25/57/26/639255726.db2.gz BVTIMAHWHZRLSU-OKZBNKHCSA-N 2 2 281.403 3.009 20 0 CGADLP COc1cccc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000090721318 640691053 /nfs/dbraw/zinc/69/10/53/640691053.db2.gz INNNUYSYVTZIPM-OCCSQVGLSA-N 2 2 288.391 3.014 20 0 CGADLP COc1cccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000090721318 640691057 /nfs/dbraw/zinc/69/10/57/640691057.db2.gz INNNUYSYVTZIPM-OCCSQVGLSA-N 2 2 288.391 3.014 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415133997 640858556 /nfs/dbraw/zinc/85/85/56/640858556.db2.gz DDZGOUMJHJXENY-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415133997 640858564 /nfs/dbraw/zinc/85/85/64/640858564.db2.gz DDZGOUMJHJXENY-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2[nH+]ccc3ccccc32)C1 ZINC001156381982 805681271 /nfs/dbraw/zinc/68/12/71/805681271.db2.gz YRFHJIJLPIYGMQ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2[nH+]ccc3ccccc32)C1 ZINC001156381982 805681274 /nfs/dbraw/zinc/68/12/74/805681274.db2.gz YRFHJIJLPIYGMQ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP COc1cc[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523919 805710057 /nfs/dbraw/zinc/71/00/57/805710057.db2.gz YUFPAFFCQNFQAP-KRWDZBQOSA-N 2 2 297.402 3.339 20 0 CGADLP COc1ccc2c(cc[nH+]c2N2CC[C@H]([N@H+](C)C(C)C)C2)c1 ZINC001157011138 805766204 /nfs/dbraw/zinc/76/62/04/805766204.db2.gz WWAWGDSCNDIPJL-HNNXBMFYSA-N 2 2 299.418 3.162 20 0 CGADLP COc1ccc2c(cc[nH+]c2N2CC[C@H]([N@@H+](C)C(C)C)C2)c1 ZINC001157011138 805766209 /nfs/dbraw/zinc/76/62/09/805766209.db2.gz WWAWGDSCNDIPJL-HNNXBMFYSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1cccc2c(C)cc(NC3(C)CC[NH2+]CC3)[nH+]c12 ZINC001157397955 805807690 /nfs/dbraw/zinc/80/76/90/805807690.db2.gz ZKKZPLUJLRLEAS-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP CC1(C)C[C@H](Nc2cc(N)cc(Cl)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158264508 805930666 /nfs/dbraw/zinc/93/06/66/805930666.db2.gz CDCCNOCFXNPDJB-XHDPSFHLSA-N 2 2 296.846 3.273 20 0 CGADLP Cc1c[nH+]c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(C)c1 ZINC001158621498 805979412 /nfs/dbraw/zinc/97/94/12/805979412.db2.gz HJJCUECKCOLCQI-AWEZNQCLSA-N 2 2 295.377 3.008 20 0 CGADLP CCOc1cc(Nc2ccc3c(c2)C[NH2+]C3)cc(C)[nH+]1 ZINC001159254417 806065853 /nfs/dbraw/zinc/06/58/53/806065853.db2.gz VTSZOTJSFNSXNU-UHFFFAOYSA-N 2 2 269.348 3.136 20 0 CGADLP CCc1cccc(Nc2cccc3c2CC[NH2+]C3)[nH+]1 ZINC001159280630 806071622 /nfs/dbraw/zinc/07/16/22/806071622.db2.gz BBRDBFJMPNMLIZ-UHFFFAOYSA-N 2 2 253.349 3.033 20 0 CGADLP CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001159282107 806074082 /nfs/dbraw/zinc/07/40/82/806074082.db2.gz NLMNDMJJSRAGIW-UHFFFAOYSA-N 2 2 288.370 3.388 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1[NH+](C)C ZINC001159600022 806128088 /nfs/dbraw/zinc/12/80/88/806128088.db2.gz CRBDAYXXZNCAOR-UHFFFAOYSA-N 2 2 281.403 3.450 20 0 CGADLP Cc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)c(C)[nH+]1 ZINC001159679255 806148041 /nfs/dbraw/zinc/14/80/41/806148041.db2.gz PFLHFBLXHZZOOY-UHFFFAOYSA-N 2 2 267.376 3.130 20 0 CGADLP CC[NH2+]Cc1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001159956578 806204007 /nfs/dbraw/zinc/20/40/07/806204007.db2.gz KWOZKMJZNRUQDI-UHFFFAOYSA-N 2 2 266.348 3.416 20 0 CGADLP CC[NH2+]Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001159956641 806204583 /nfs/dbraw/zinc/20/45/83/806204583.db2.gz NVGDNDQHBLKBFF-UHFFFAOYSA-N 2 2 266.348 3.187 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160257320 806243975 /nfs/dbraw/zinc/24/39/75/806243975.db2.gz XSMOZXPCAMNJCZ-HNNXBMFYSA-N 2 2 297.402 3.376 20 0 CGADLP CC(C)c1ccc(Nc2cccc(CC[NH3+])c2)[nH+]c1 ZINC001161078760 806347689 /nfs/dbraw/zinc/34/76/89/806347689.db2.gz HWNBQNHBOUZSLU-UHFFFAOYSA-N 2 2 255.365 3.450 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC001254214047 806367873 /nfs/dbraw/zinc/36/78/73/806367873.db2.gz UYNDKNYIZHCTNR-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC001254214047 806367875 /nfs/dbraw/zinc/36/78/75/806367875.db2.gz UYNDKNYIZHCTNR-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454336 806406363 /nfs/dbraw/zinc/40/63/63/806406363.db2.gz PPMRWHTVGXSJAH-IBGZPJMESA-N 2 2 286.463 3.254 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454336 806406369 /nfs/dbraw/zinc/40/63/69/806406369.db2.gz PPMRWHTVGXSJAH-IBGZPJMESA-N 2 2 286.463 3.254 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512965 806432456 /nfs/dbraw/zinc/43/24/56/806432456.db2.gz UIMVZPKSSBPJEE-DZGCQCFKSA-N 2 2 293.842 3.260 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512965 806432459 /nfs/dbraw/zinc/43/24/59/806432459.db2.gz UIMVZPKSSBPJEE-DZGCQCFKSA-N 2 2 293.842 3.260 20 0 CGADLP CC(C)c1cc(NCCCC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001161728836 806439043 /nfs/dbraw/zinc/43/90/43/806439043.db2.gz YKXPQHQACWHPQL-UHFFFAOYSA-N 2 2 278.444 3.477 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831996 806491956 /nfs/dbraw/zinc/49/19/56/806491956.db2.gz ARJLQBVSGIPYKO-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP Clc1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254853497 806500309 /nfs/dbraw/zinc/50/03/09/806500309.db2.gz WUUIEQGHMHEZOS-GFCCVEGCSA-N 2 2 284.856 3.018 20 0 CGADLP F[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135447 806551933 /nfs/dbraw/zinc/55/19/33/806551933.db2.gz BIXLNDMAHMUXDD-ZJPYXAASSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135447 806551935 /nfs/dbraw/zinc/55/19/35/806551935.db2.gz BIXLNDMAHMUXDD-ZJPYXAASSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135447 806551938 /nfs/dbraw/zinc/55/19/38/806551938.db2.gz BIXLNDMAHMUXDD-ZJPYXAASSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135447 806551939 /nfs/dbraw/zinc/55/19/39/806551939.db2.gz BIXLNDMAHMUXDD-ZJPYXAASSA-N 2 2 288.410 3.226 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C1 ZINC001162397888 806576024 /nfs/dbraw/zinc/57/60/24/806576024.db2.gz ZXKOASBCJSHICL-NEPJUHHUSA-N 2 2 299.340 3.357 20 0 CGADLP CCOc1ccc([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)cc1C ZINC001162466128 806591243 /nfs/dbraw/zinc/59/12/43/806591243.db2.gz MDFUJFCGBAFMIN-HUUCEWRRSA-N 2 2 276.424 3.441 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001255301190 806600472 /nfs/dbraw/zinc/60/04/72/806600472.db2.gz JRMAQLMZNNIERQ-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001255301190 806600477 /nfs/dbraw/zinc/60/04/77/806600477.db2.gz JRMAQLMZNNIERQ-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+](Cc1ccno1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410435 806635491 /nfs/dbraw/zinc/63/54/91/806635491.db2.gz WWXDFTUZECBVOT-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[N@@H+](Cc1ccno1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410435 806635497 /nfs/dbraw/zinc/63/54/97/806635497.db2.gz WWXDFTUZECBVOT-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[NH+](Cc1ccno1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410435 806635503 /nfs/dbraw/zinc/63/55/03/806635503.db2.gz WWXDFTUZECBVOT-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[NH+](Cc1ccno1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410435 806635508 /nfs/dbraw/zinc/63/55/08/806635508.db2.gz WWXDFTUZECBVOT-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522687 806662126 /nfs/dbraw/zinc/66/21/26/806662126.db2.gz UPAWCWPIEJWYIT-GFJIZPEISA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522687 806662130 /nfs/dbraw/zinc/66/21/30/806662130.db2.gz UPAWCWPIEJWYIT-GFJIZPEISA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522687 806662133 /nfs/dbraw/zinc/66/21/33/806662133.db2.gz UPAWCWPIEJWYIT-GFJIZPEISA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522687 806662137 /nfs/dbraw/zinc/66/21/37/806662137.db2.gz UPAWCWPIEJWYIT-GFJIZPEISA-N 2 2 290.373 3.134 20 0 CGADLP CNc1ccc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c[nH+]1 ZINC001162908291 806683091 /nfs/dbraw/zinc/68/30/91/806683091.db2.gz DDLVDGHIJYVXFL-NSHDSACASA-N 2 2 266.348 3.087 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154217 798860544 /nfs/dbraw/zinc/86/05/44/798860544.db2.gz QYOHRNFAWIUPDB-CVEARBPZSA-N 2 2 290.451 3.177 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213914 798862979 /nfs/dbraw/zinc/86/29/79/798862979.db2.gz QAHRTTAKFMCWRG-IAGOWNOFSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213914 798862986 /nfs/dbraw/zinc/86/29/86/798862986.db2.gz QAHRTTAKFMCWRG-IAGOWNOFSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000091335554 798954220 /nfs/dbraw/zinc/95/42/20/798954220.db2.gz YPGBQGYMZKTEGY-DYVFJYSZSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000091335554 798954225 /nfs/dbraw/zinc/95/42/25/798954225.db2.gz YPGBQGYMZKTEGY-DYVFJYSZSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000092588031 798958563 /nfs/dbraw/zinc/95/85/63/798958563.db2.gz GODVGPYHNLUHNE-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000092588031 798958568 /nfs/dbraw/zinc/95/85/68/798958568.db2.gz GODVGPYHNLUHNE-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000092588031 798958571 /nfs/dbraw/zinc/95/85/71/798958571.db2.gz GODVGPYHNLUHNE-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000092588031 798958573 /nfs/dbraw/zinc/95/85/73/798958573.db2.gz GODVGPYHNLUHNE-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000262922759 799178240 /nfs/dbraw/zinc/17/82/40/799178240.db2.gz HBWFRRJZSSNSIM-AWEZNQCLSA-N 2 2 284.403 3.314 20 0 CGADLP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000262922759 799178245 /nfs/dbraw/zinc/17/82/45/799178245.db2.gz HBWFRRJZSSNSIM-AWEZNQCLSA-N 2 2 284.403 3.314 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347078553 799299694 /nfs/dbraw/zinc/29/96/94/799299694.db2.gz WASLVEKOYQHWIZ-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347078553 799299700 /nfs/dbraw/zinc/29/97/00/799299700.db2.gz WASLVEKOYQHWIZ-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(C)s1 ZINC000381088740 799372455 /nfs/dbraw/zinc/37/24/55/799372455.db2.gz WQOMKLWIXVHCEF-AUUNLFOPSA-N 2 2 276.449 3.012 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)c[nH+]1 ZINC000393402033 799486567 /nfs/dbraw/zinc/48/65/67/799486567.db2.gz YUQHLCDRZKZZQM-UHFFFAOYSA-N 2 2 289.382 3.129 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1 ZINC001163370942 806752213 /nfs/dbraw/zinc/75/22/13/806752213.db2.gz NACKSVAYLQKVPE-TZMCWYRMSA-N 2 2 279.453 3.334 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163370942 806752216 /nfs/dbraw/zinc/75/22/16/806752216.db2.gz NACKSVAYLQKVPE-TZMCWYRMSA-N 2 2 279.453 3.334 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001163370596 806752697 /nfs/dbraw/zinc/75/26/97/806752697.db2.gz LDWCTHRVWDDXSJ-IUODEOHRSA-N 2 2 288.439 3.193 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001163370596 806752701 /nfs/dbraw/zinc/75/27/01/806752701.db2.gz LDWCTHRVWDDXSJ-IUODEOHRSA-N 2 2 288.439 3.193 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956083 799533524 /nfs/dbraw/zinc/53/35/24/799533524.db2.gz IHCJOZOLFUNKSB-TYNCELHUSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956083 799533528 /nfs/dbraw/zinc/53/35/28/799533528.db2.gz IHCJOZOLFUNKSB-TYNCELHUSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000689579995 799765923 /nfs/dbraw/zinc/76/59/23/799765923.db2.gz FQSUEYQRMUDJJT-UKRRQHHQSA-N 2 2 287.432 3.246 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255874567 806777648 /nfs/dbraw/zinc/77/76/48/806777648.db2.gz BHSDSRUTXVMWCK-ZFWWWQNUSA-N 2 2 287.382 3.293 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001255866203 806775262 /nfs/dbraw/zinc/77/52/62/806775262.db2.gz NBUOYWHGCMFVEB-IFXJQAMLSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001255866203 806775267 /nfs/dbraw/zinc/77/52/67/806775267.db2.gz NBUOYWHGCMFVEB-IFXJQAMLSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccsc1C(F)(F)F)[NH+](C)C ZINC000704367666 799937273 /nfs/dbraw/zinc/93/72/73/799937273.db2.gz HYGFCNRXPQTHLB-SECBINFHSA-N 2 2 280.359 3.197 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000710280532 800031781 /nfs/dbraw/zinc/03/17/81/800031781.db2.gz WJDTXBHRQMJRRL-CHWSQXEVSA-N 2 2 293.480 3.176 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC001255960064 806799438 /nfs/dbraw/zinc/79/94/38/806799438.db2.gz DXQQVCYJLUYTLX-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCOc2ccccc2C1 ZINC001255960064 806799440 /nfs/dbraw/zinc/79/94/40/806799440.db2.gz DXQQVCYJLUYTLX-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000713000529 800101716 /nfs/dbraw/zinc/10/17/16/800101716.db2.gz NBIVIOYYFXWCER-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000714750262 800128329 /nfs/dbraw/zinc/12/83/29/800128329.db2.gz OFYIISXSNLGZRL-UHFFFAOYSA-N 2 2 286.341 3.409 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000721630409 800298547 /nfs/dbraw/zinc/29/85/47/800298547.db2.gz FOSFRMJZFVMYDL-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H]1C ZINC000722392268 800320248 /nfs/dbraw/zinc/32/02/48/800320248.db2.gz SLDUTVFJSQTIFR-BZPMIXESSA-N 2 2 281.469 3.119 20 0 CGADLP CC[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@H]1CC1(C)C ZINC000722406403 800322130 /nfs/dbraw/zinc/32/21/30/800322130.db2.gz GTDYLVVTLOIBIE-OLZOCXBDSA-N 2 2 281.469 3.119 20 0 CGADLP COc1cccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)c1 ZINC001256143115 806833535 /nfs/dbraw/zinc/83/35/35/806833535.db2.gz AYFKVIPWWDMOPQ-INIZCTEOSA-N 2 2 290.451 3.092 20 0 CGADLP c1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)nc1 ZINC000903087691 800594523 /nfs/dbraw/zinc/59/45/23/800594523.db2.gz GJNZVXDHEPFUEC-GOSISDBHSA-N 2 2 296.418 3.410 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256209848 806848513 /nfs/dbraw/zinc/84/85/13/806848513.db2.gz AXYXESYZVAZPKV-QGZVFWFLSA-N 2 2 258.409 3.090 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C)CC1 ZINC001256209848 806848523 /nfs/dbraw/zinc/84/85/23/806848523.db2.gz AXYXESYZVAZPKV-QGZVFWFLSA-N 2 2 258.409 3.090 20 0 CGADLP Cc1c[nH+]cc(NCc2cccnc2C2CC[NH2+]CC2)c1C ZINC001163911568 806848840 /nfs/dbraw/zinc/84/88/40/806848840.db2.gz GNCMGFOTWRSSIG-UHFFFAOYSA-N 2 2 296.418 3.173 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2C2CC[NH+](C)CC2)c1 ZINC001256207869 806849923 /nfs/dbraw/zinc/84/99/23/806849923.db2.gz XDEDWKLQZCNDAZ-GOSISDBHSA-N 2 2 288.435 3.316 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2C2CC[NH+](C)CC2)c1 ZINC001256207869 806849932 /nfs/dbraw/zinc/84/99/32/806849932.db2.gz XDEDWKLQZCNDAZ-GOSISDBHSA-N 2 2 288.435 3.316 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001257478929 807176613 /nfs/dbraw/zinc/17/66/13/807176613.db2.gz UXDTYFPCTBDJML-KGLIPLIRSA-N 2 2 251.418 3.157 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256551726 806914742 /nfs/dbraw/zinc/91/47/42/806914742.db2.gz VELAGOXSMCQISC-NJAFHUGGSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551726 806914747 /nfs/dbraw/zinc/91/47/47/806914747.db2.gz VELAGOXSMCQISC-NJAFHUGGSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551726 806914750 /nfs/dbraw/zinc/91/47/50/806914750.db2.gz VELAGOXSMCQISC-NJAFHUGGSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551726 806914754 /nfs/dbraw/zinc/91/47/54/806914754.db2.gz VELAGOXSMCQISC-NJAFHUGGSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1F ZINC001256603604 806923787 /nfs/dbraw/zinc/92/37/87/806923787.db2.gz HKHHWIYGNHQJMY-CRAIPNDOSA-N 2 2 290.426 3.331 20 0 CGADLP C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1F ZINC001256603604 806923789 /nfs/dbraw/zinc/92/37/89/806923789.db2.gz HKHHWIYGNHQJMY-CRAIPNDOSA-N 2 2 290.426 3.331 20 0 CGADLP F[C@@H]1CCCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604205 806924050 /nfs/dbraw/zinc/92/40/50/806924050.db2.gz MVZFKILWFQJUHP-QGZVFWFLSA-N 2 2 290.426 3.475 20 0 CGADLP F[C@@H]1CCCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604205 806924052 /nfs/dbraw/zinc/92/40/52/806924052.db2.gz MVZFKILWFQJUHP-QGZVFWFLSA-N 2 2 290.426 3.475 20 0 CGADLP Cc1cc2ccccc2c(N2CCC[C@@H]2C[NH+](C)C)[nH+]1 ZINC001165077738 806969466 /nfs/dbraw/zinc/96/94/66/806969466.db2.gz RAAHMLJXZAEOHQ-OAHLLOKOSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)C1CCCC1 ZINC001116203764 802309840 /nfs/dbraw/zinc/30/98/40/802309840.db2.gz XDYRYUCONGKXST-LBPRGKRZSA-N 2 2 298.390 3.341 20 0 CGADLP CC(C)(C)c1ccc(N2CCC3(CC([NH3+])C3)CC2)[nH+]c1 ZINC001165245424 806979817 /nfs/dbraw/zinc/97/98/17/806979817.db2.gz MCNGVFJTKKSZNB-UHFFFAOYSA-N 2 2 273.424 3.087 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC001118118295 802527287 /nfs/dbraw/zinc/52/72/87/802527287.db2.gz FRSWPYKEIOXUIN-KBPBESRZSA-N 2 2 268.351 3.244 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001118990073 802624673 /nfs/dbraw/zinc/62/46/73/802624673.db2.gz ZOXPCGUEEHEGSN-CHWSQXEVSA-N 2 2 298.390 3.196 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncccc21 ZINC001118991506 802625363 /nfs/dbraw/zinc/62/53/63/802625363.db2.gz LRGPLNUCUWADNW-IAGOWNOFSA-N 2 2 298.434 3.360 20 0 CGADLP C1CC1C([NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC001256900701 807001528 /nfs/dbraw/zinc/00/15/28/807001528.db2.gz ADIWSTJKGKRGRI-HNNXBMFYSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1C([NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)C1CC1 ZINC001256900701 807001535 /nfs/dbraw/zinc/00/15/35/807001535.db2.gz ADIWSTJKGKRGRI-HNNXBMFYSA-N 2 2 262.441 3.172 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256905965 807007052 /nfs/dbraw/zinc/00/70/52/807007052.db2.gz WNXKGTSOKLABBV-INIZCTEOSA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256905965 807007056 /nfs/dbraw/zinc/00/70/56/807007056.db2.gz WNXKGTSOKLABBV-INIZCTEOSA-N 2 2 299.462 3.110 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244617761 803466860 /nfs/dbraw/zinc/46/68/60/803466860.db2.gz YRZJAODVUDRFEN-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244617761 803466861 /nfs/dbraw/zinc/46/68/61/803466861.db2.gz YRZJAODVUDRFEN-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP Oc1ccc(Cl)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001245050411 803622480 /nfs/dbraw/zinc/62/24/80/803622480.db2.gz FSCIYRHJNPJWJE-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP [NH3+]Cc1ccccc1-c1c[nH+]cn1Cc1ccccc1 ZINC001245197056 803660963 /nfs/dbraw/zinc/66/09/63/803660963.db2.gz KTLMONOTFFGSDB-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001137209562 803696655 /nfs/dbraw/zinc/69/66/55/803696655.db2.gz KBEVIXOACUUZBR-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC001137209562 803696660 /nfs/dbraw/zinc/69/66/60/803696660.db2.gz KBEVIXOACUUZBR-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP CC[N@H+](Cc1cccc2ncccc12)C1CC[NH+](C)CC1 ZINC001137627886 803745926 /nfs/dbraw/zinc/74/59/26/803745926.db2.gz DOVLHKFJXINSKB-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cccc2ncccc12)C1CC[NH+](C)CC1 ZINC001137627886 803745931 /nfs/dbraw/zinc/74/59/31/803745931.db2.gz DOVLHKFJXINSKB-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@H+](Cc1cccc(C)c1F)C1CC[NH+](C)CC1 ZINC001137676295 803755646 /nfs/dbraw/zinc/75/56/46/803755646.db2.gz PSLSKNWIVWQETM-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1cccc(C)c1F)C1CC[NH+](C)CC1 ZINC001137676295 803755651 /nfs/dbraw/zinc/75/56/51/803755651.db2.gz PSLSKNWIVWQETM-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cc(-c2cncc(C[NH+]3CCCCC3)c2)c[nH+]c1N ZINC001245540094 803798009 /nfs/dbraw/zinc/79/80/09/803798009.db2.gz QOTQCYDRVBPFDR-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)c(C)c1 ZINC001138434361 803933355 /nfs/dbraw/zinc/93/33/55/803933355.db2.gz QIKWRZLIGRTMHL-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c(C)c1 ZINC001138434361 803933360 /nfs/dbraw/zinc/93/33/60/803933360.db2.gz QIKWRZLIGRTMHL-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246078125 804116122 /nfs/dbraw/zinc/11/61/22/804116122.db2.gz VECOKLZPVMBQKD-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109131 804141776 /nfs/dbraw/zinc/14/17/76/804141776.db2.gz KIFPKHNUHKONMA-IKGGRYGDSA-N 2 2 278.415 3.078 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001139155608 804142533 /nfs/dbraw/zinc/14/25/33/804142533.db2.gz SNCSSKODJGBHMJ-APWZRJJASA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001139155608 804142540 /nfs/dbraw/zinc/14/25/40/804142540.db2.gz SNCSSKODJGBHMJ-APWZRJJASA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001139155608 804142544 /nfs/dbraw/zinc/14/25/44/804142544.db2.gz SNCSSKODJGBHMJ-APWZRJJASA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001139155608 804142548 /nfs/dbraw/zinc/14/25/48/804142548.db2.gz SNCSSKODJGBHMJ-APWZRJJASA-N 2 2 297.446 3.187 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)cc1 ZINC001246115788 804148450 /nfs/dbraw/zinc/14/84/50/804148450.db2.gz SSOBIJNNSPKRMO-PMPSAXMXSA-N 2 2 292.492 3.453 20 0 CGADLP Cn1ccc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc21 ZINC001139188304 804151550 /nfs/dbraw/zinc/15/15/50/804151550.db2.gz DKZVZXQRLHKJNE-UHFFFAOYSA-N 2 2 297.446 3.239 20 0 CGADLP CCCCC[C@@H](CCC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140878 804163840 /nfs/dbraw/zinc/16/38/40/804163840.db2.gz GZJVVZUXIGBGLZ-IAGOWNOFSA-N 3 2 295.515 3.199 20 0 CGADLP c1ccc(-c2ccc(CC[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246161825 804179451 /nfs/dbraw/zinc/17/94/51/804179451.db2.gz BZMNOGCXBDTDDA-LJQANCHMSA-N 2 2 280.415 3.238 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC(c4ccccc4)C3)cc2)c[nH+]1 ZINC001139363110 804183607 /nfs/dbraw/zinc/18/36/07/804183607.db2.gz VWPXJDMRESIFAT-UHFFFAOYSA-N 2 2 289.382 3.472 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Cl)CC[NH2+]1 ZINC001246177708 804192519 /nfs/dbraw/zinc/19/25/19/804192519.db2.gz DEMBXRUJKICBIC-HIFRSBDPSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246192099 804199553 /nfs/dbraw/zinc/19/95/53/804199553.db2.gz ZCEISMHMHFGTBJ-ZBFHGGJFSA-N 2 2 278.465 3.207 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195451 804203239 /nfs/dbraw/zinc/20/32/39/804203239.db2.gz SIBUENDALTVLDY-QWHCGFSZSA-N 2 2 280.378 3.475 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cnc1Cl ZINC001139545694 804203358 /nfs/dbraw/zinc/20/33/58/804203358.db2.gz AKULFPFNLSMNDJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cnc1Cl ZINC001139545694 804203363 /nfs/dbraw/zinc/20/33/63/804203363.db2.gz AKULFPFNLSMNDJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246213403 804209796 /nfs/dbraw/zinc/20/97/96/804209796.db2.gz UVFZOFUZCNQABH-QWHCGFSZSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246257937 804240282 /nfs/dbraw/zinc/24/02/82/804240282.db2.gz ZGTJGUQAVIJQFE-VCTAVGKDSA-N 2 2 264.800 3.131 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c(Cl)c1 ZINC001246282063 804256365 /nfs/dbraw/zinc/25/63/65/804256365.db2.gz AJSBTXSXFFRIPA-BBRMVZONSA-N 2 2 296.842 3.215 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001246280045 804256962 /nfs/dbraw/zinc/25/69/62/804256962.db2.gz QDSPQDDIFROXNB-DNVCBOLYSA-N 2 2 282.431 3.470 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246286020 804260781 /nfs/dbraw/zinc/26/07/81/804260781.db2.gz HBLZLAIBJHGPRC-RCBQFDQVSA-N 2 2 264.388 3.397 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001246295904 804264519 /nfs/dbraw/zinc/26/45/19/804264519.db2.gz YXNXZVKLFUZWHM-MAUKXSAKSA-N 2 2 268.404 3.216 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246294804 804264783 /nfs/dbraw/zinc/26/47/83/804264783.db2.gz NCXLGLZFHGNACI-IKGGRYGDSA-N 2 2 284.488 3.482 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C[NH2+]1 ZINC001246312825 804274105 /nfs/dbraw/zinc/27/41/05/804274105.db2.gz BEFIWJHUGZDKHJ-YOEHRIQHSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246403590 804322507 /nfs/dbraw/zinc/32/25/07/804322507.db2.gz HLFMXPRNSZZZIM-DQYPLSBCSA-N 2 2 276.399 3.397 20 0 CGADLP Fc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246409973 804324496 /nfs/dbraw/zinc/32/44/96/804324496.db2.gz VQSMXVXBIJBGBI-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246468138 804345325 /nfs/dbraw/zinc/34/53/25/804345325.db2.gz HVLRPGCMIULIGL-HOCLYGCPSA-N 2 2 264.388 3.317 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246470518 804348370 /nfs/dbraw/zinc/34/83/70/804348370.db2.gz ZXSUAIXRBNLXSF-XPKDYRNWSA-N 2 2 264.388 3.315 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001140023787 804356450 /nfs/dbraw/zinc/35/64/50/804356450.db2.gz XPLXLILWZOAMIW-DOMZBBRYSA-N 2 2 273.355 3.113 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001140023787 804356458 /nfs/dbraw/zinc/35/64/58/804356458.db2.gz XPLXLILWZOAMIW-DOMZBBRYSA-N 2 2 273.355 3.113 20 0 CGADLP CCC1CCC([NH2+][C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC001246508028 804365469 /nfs/dbraw/zinc/36/54/69/804365469.db2.gz CPWUDHDHARCAJZ-PGEKIEPBSA-N 2 2 276.424 3.253 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2OC)CC1 ZINC001140067708 804371351 /nfs/dbraw/zinc/37/13/51/804371351.db2.gz PXIYBYLYGFXKLC-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2OC)CC1 ZINC001140067708 804371358 /nfs/dbraw/zinc/37/13/58/804371358.db2.gz PXIYBYLYGFXKLC-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1Cl ZINC001140087463 804374826 /nfs/dbraw/zinc/37/48/26/804374826.db2.gz PGZPERQVGQDTGO-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)cc1Cl ZINC001140087463 804374835 /nfs/dbraw/zinc/37/48/35/804374835.db2.gz PGZPERQVGQDTGO-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CC[N@H+](Cc1cccc2cnccc21)C1CC[NH+](C)CC1 ZINC001140144377 804388676 /nfs/dbraw/zinc/38/86/76/804388676.db2.gz DTAIDTZEKLSIOS-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cccc2cnccc21)C1CC[NH+](C)CC1 ZINC001140144377 804388684 /nfs/dbraw/zinc/38/86/84/804388684.db2.gz DTAIDTZEKLSIOS-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001246559450 804407724 /nfs/dbraw/zinc/40/77/24/804407724.db2.gz BLQXLSKAWVYGSA-RBSFLKMASA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001246559450 804407729 /nfs/dbraw/zinc/40/77/29/804407729.db2.gz BLQXLSKAWVYGSA-RBSFLKMASA-N 2 2 268.420 3.251 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246561030 804410590 /nfs/dbraw/zinc/41/05/90/804410590.db2.gz HVBSYLHEZASXRA-LALPHHSUSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001246561030 804410592 /nfs/dbraw/zinc/41/05/92/804410592.db2.gz HVBSYLHEZASXRA-LALPHHSUSA-N 2 2 298.883 3.490 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246570452 804417150 /nfs/dbraw/zinc/41/71/50/804417150.db2.gz INXOKRBKCFUTSV-WMZOPIPTSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246570452 804417151 /nfs/dbraw/zinc/41/71/51/804417151.db2.gz INXOKRBKCFUTSV-WMZOPIPTSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246572400 804418887 /nfs/dbraw/zinc/41/88/87/804418887.db2.gz WUHJNGNXVQSDEX-TYNCELHUSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246572400 804418889 /nfs/dbraw/zinc/41/88/89/804418889.db2.gz WUHJNGNXVQSDEX-TYNCELHUSA-N 2 2 298.833 3.469 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574272 804420924 /nfs/dbraw/zinc/42/09/24/804420924.db2.gz UALYJVYKIHFCJF-FUHWJXTLSA-N 2 2 274.452 3.185 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574272 804420925 /nfs/dbraw/zinc/42/09/25/804420925.db2.gz UALYJVYKIHFCJF-FUHWJXTLSA-N 2 2 274.452 3.185 20 0 CGADLP [NH3+][C@@H]1C[C@@H](F)C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575463 804422112 /nfs/dbraw/zinc/42/21/12/804422112.db2.gz CWRJBVDRFNGICN-RBSFLKMASA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1C[C@@H](F)C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575463 804422115 /nfs/dbraw/zinc/42/21/15/804422115.db2.gz CWRJBVDRFNGICN-RBSFLKMASA-N 2 2 268.420 3.251 20 0 CGADLP Clc1cccc(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246596447 804437519 /nfs/dbraw/zinc/43/75/19/804437519.db2.gz QGVJVIVSBYZXBM-INIZCTEOSA-N 2 2 278.827 3.271 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246615968 804450106 /nfs/dbraw/zinc/45/01/06/804450106.db2.gz YSXUVHVYCHVLMB-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246615968 804450107 /nfs/dbraw/zinc/45/01/07/804450107.db2.gz YSXUVHVYCHVLMB-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246626833 804457369 /nfs/dbraw/zinc/45/73/69/804457369.db2.gz VHBLELCIMCBVDK-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246626833 804457370 /nfs/dbraw/zinc/45/73/70/804457370.db2.gz VHBLELCIMCBVDK-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645916 804474269 /nfs/dbraw/zinc/47/42/69/804474269.db2.gz DSQABTKOMMUDCK-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H](CC(C)C)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645916 804474273 /nfs/dbraw/zinc/47/42/73/804474273.db2.gz DSQABTKOMMUDCK-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4ccncc43)CC2)c[nH+]1 ZINC001140644360 804483248 /nfs/dbraw/zinc/48/32/48/804483248.db2.gz JZHDYNQPQYSYNF-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)C[NH2+]1 ZINC001246786122 804511980 /nfs/dbraw/zinc/51/19/80/804511980.db2.gz LSVYQUVONCIPHS-JHJVBQTASA-N 2 2 250.411 3.026 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)C[NH2+]1 ZINC001246786122 804511986 /nfs/dbraw/zinc/51/19/86/804511986.db2.gz LSVYQUVONCIPHS-JHJVBQTASA-N 2 2 250.411 3.026 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1coc2ccccc12 ZINC001140785227 804513238 /nfs/dbraw/zinc/51/32/38/804513238.db2.gz VESYRDBXTDUPIV-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1coc2ccccc12 ZINC001140785227 804513244 /nfs/dbraw/zinc/51/32/44/804513244.db2.gz VESYRDBXTDUPIV-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@H](C)Cc2cccc(Cl)c2)CC1 ZINC001246803447 804522775 /nfs/dbraw/zinc/52/27/75/804522775.db2.gz KJPGZNLMSMCXTJ-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246815860 804531538 /nfs/dbraw/zinc/53/15/38/804531538.db2.gz YKJPYRGCNPZTCA-UONOGXRCSA-N 2 2 296.480 3.364 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246815860 804531543 /nfs/dbraw/zinc/53/15/43/804531543.db2.gz YKJPYRGCNPZTCA-UONOGXRCSA-N 2 2 296.480 3.364 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847114 804555551 /nfs/dbraw/zinc/55/55/51/804555551.db2.gz JHIDKDQICONRAX-KGLIPLIRSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847114 804555553 /nfs/dbraw/zinc/55/55/53/804555553.db2.gz JHIDKDQICONRAX-KGLIPLIRSA-N 2 2 278.827 3.229 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246853483 804562262 /nfs/dbraw/zinc/56/22/62/804562262.db2.gz MHOTWPJKDSZHOL-JMSVASOKSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246853483 804562267 /nfs/dbraw/zinc/56/22/67/804562267.db2.gz MHOTWPJKDSZHOL-JMSVASOKSA-N 2 2 296.867 3.244 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246861293 804566606 /nfs/dbraw/zinc/56/66/06/804566606.db2.gz AUCGUAYINBRICX-YSVLISHTSA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246861293 804566608 /nfs/dbraw/zinc/56/66/08/804566608.db2.gz AUCGUAYINBRICX-YSVLISHTSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866551 804570058 /nfs/dbraw/zinc/57/00/58/804570058.db2.gz CODXHYVNACJKLJ-JKSUJKDBSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866551 804570062 /nfs/dbraw/zinc/57/00/62/804570062.db2.gz CODXHYVNACJKLJ-JKSUJKDBSA-N 2 2 278.827 3.432 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246906786 804591170 /nfs/dbraw/zinc/59/11/70/804591170.db2.gz HLMFZRSAAQPDLC-XQQFMLRXSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246906786 804591174 /nfs/dbraw/zinc/59/11/74/804591174.db2.gz HLMFZRSAAQPDLC-XQQFMLRXSA-N 2 2 266.816 3.473 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246912561 804594485 /nfs/dbraw/zinc/59/44/85/804594485.db2.gz ZCBCSYJMEXLLMJ-CYBMUJFWSA-N 2 2 282.378 3.317 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246912561 804594490 /nfs/dbraw/zinc/59/44/90/804594490.db2.gz ZCBCSYJMEXLLMJ-CYBMUJFWSA-N 2 2 282.378 3.317 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246912884 804596521 /nfs/dbraw/zinc/59/65/21/804596521.db2.gz QEUJQVPXSFTMQK-XJKSGUPXSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246912884 804596524 /nfs/dbraw/zinc/59/65/24/804596524.db2.gz QEUJQVPXSFTMQK-XJKSGUPXSA-N 2 2 296.455 3.380 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946205 804613533 /nfs/dbraw/zinc/61/35/33/804613533.db2.gz OCZPOLAMVRVIHI-IRXDYDNUSA-N 2 2 278.415 3.161 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946205 804613536 /nfs/dbraw/zinc/61/35/36/804613536.db2.gz OCZPOLAMVRVIHI-IRXDYDNUSA-N 2 2 278.415 3.161 20 0 CGADLP CC[N@H+](Cc1ccncc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236413 804621203 /nfs/dbraw/zinc/62/12/03/804621203.db2.gz CELCODGHVOINFQ-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)CSc1ccc(C)cc1 ZINC001246975505 804624683 /nfs/dbraw/zinc/62/46/83/804624683.db2.gz VGYAYJRQDFQETH-KGLIPLIRSA-N 2 2 266.454 3.145 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)CSc1ccc(C)cc1 ZINC001246975505 804624686 /nfs/dbraw/zinc/62/46/86/804624686.db2.gz VGYAYJRQDFQETH-KGLIPLIRSA-N 2 2 266.454 3.145 20 0 CGADLP CCCCCC1CCC([N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)CC1 ZINC001246983125 804627206 /nfs/dbraw/zinc/62/72/06/804627206.db2.gz AFVZXHRADIVRJK-DAWZGUTISA-N 2 2 294.483 3.190 20 0 CGADLP CCCCCC1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CCO3)CC1 ZINC001246983125 804627213 /nfs/dbraw/zinc/62/72/13/804627213.db2.gz AFVZXHRADIVRJK-DAWZGUTISA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)ccc2n1 ZINC001141485303 804646558 /nfs/dbraw/zinc/64/65/58/804646558.db2.gz XSEBHPJNMLSXTI-MJGOQNOKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)ccc2n1 ZINC001141485303 804646562 /nfs/dbraw/zinc/64/65/62/804646562.db2.gz XSEBHPJNMLSXTI-MJGOQNOKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2n1 ZINC001141485303 804646566 /nfs/dbraw/zinc/64/65/66/804646566.db2.gz XSEBHPJNMLSXTI-MJGOQNOKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)ccc2n1 ZINC001141485303 804646571 /nfs/dbraw/zinc/64/65/71/804646571.db2.gz XSEBHPJNMLSXTI-MJGOQNOKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3cc[nH+]cc3C(F)(F)F)n21 ZINC001249585906 805182286 /nfs/dbraw/zinc/18/22/86/805182286.db2.gz GJBYPMOSPSWXJE-UHFFFAOYSA-N 2 2 292.264 3.222 20 0 CGADLP Nc1cccc2[nH+]cn(-c3cc[nH+]cc3C(F)(F)F)c21 ZINC001249587519 805183807 /nfs/dbraw/zinc/18/38/07/805183807.db2.gz VMUSKWIXBBWFPJ-UHFFFAOYSA-N 2 2 278.237 3.022 20 0 CGADLP Clc1cc(Cl)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155052680 805528704 /nfs/dbraw/zinc/52/87/04/805528704.db2.gz FSJLVEGGXVOZJS-UHFFFAOYSA-N 2 2 297.189 3.041 20 0 CGADLP Fc1ccc2cc(-n3c[nH+]cc3C3CC[NH2+]CC3)ncc2c1 ZINC001155064187 805531794 /nfs/dbraw/zinc/53/17/94/805531794.db2.gz NHVISEKLVGJYAO-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP c1cn(-c2ccc(Nc3ccc4c[nH+]cn4c3)cc2)c[nH+]1 ZINC001250327597 805571955 /nfs/dbraw/zinc/57/19/55/805571955.db2.gz BOABBATYNFGWAU-UHFFFAOYSA-N 2 2 275.315 3.264 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CC(F)(F)C3)CC2)CC1 ZINC001257214444 807063792 /nfs/dbraw/zinc/06/37/92/807063792.db2.gz DUWKOOKYTGBUFF-UHFFFAOYSA-N 2 2 286.410 3.371 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001257219640 807066348 /nfs/dbraw/zinc/06/63/48/807066348.db2.gz HFSYVBPBTAYSJG-QGZVFWFLSA-N 2 2 273.424 3.091 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001257219640 807066355 /nfs/dbraw/zinc/06/63/55/807066355.db2.gz HFSYVBPBTAYSJG-QGZVFWFLSA-N 2 2 273.424 3.091 20 0 CGADLP CC(C)Oc1cc(NCC2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC001166615622 807068698 /nfs/dbraw/zinc/06/86/98/807068698.db2.gz GDUDVILXMKAIKE-UHFFFAOYSA-N 2 2 291.439 3.401 20 0 CGADLP CCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257309922 807100314 /nfs/dbraw/zinc/10/03/14/807100314.db2.gz ZRLMTPXLPWOMAO-AWEZNQCLSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1cc2cc(N3C(C)(C)CC([NH3+])CC3(C)C)[nH+]cc2[nH]1 ZINC001167625590 807219297 /nfs/dbraw/zinc/21/92/97/807219297.db2.gz MMJYKILGFBYUHP-UHFFFAOYSA-N 2 2 286.423 3.356 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059677 807282067 /nfs/dbraw/zinc/28/20/67/807282067.db2.gz FYOKDISEEJMGNX-IRXDYDNUSA-N 3 2 285.520 3.050 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059677 807282074 /nfs/dbraw/zinc/28/20/74/807282074.db2.gz FYOKDISEEJMGNX-IRXDYDNUSA-N 3 2 285.520 3.050 20 0 CGADLP c1ccc2c(c1)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966422 807288017 /nfs/dbraw/zinc/28/80/17/807288017.db2.gz VHQDLECOMWYITL-YCXXCVGLSA-N 2 2 298.430 3.115 20 0 CGADLP c1ccc2c(c1)OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966422 807288022 /nfs/dbraw/zinc/28/80/22/807288022.db2.gz VHQDLECOMWYITL-YCXXCVGLSA-N 2 2 298.430 3.115 20 0 CGADLP FC[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149555 807319142 /nfs/dbraw/zinc/31/91/42/807319142.db2.gz MHBKLKWEPXDZEH-GOSISDBHSA-N 2 2 290.426 3.127 20 0 CGADLP FC[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258149555 807319149 /nfs/dbraw/zinc/31/91/49/807319149.db2.gz MHBKLKWEPXDZEH-GOSISDBHSA-N 2 2 290.426 3.127 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC001258182103 807345955 /nfs/dbraw/zinc/34/59/55/807345955.db2.gz VPXBLHSPHJISHS-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccco2)C1 ZINC001258182103 807345967 /nfs/dbraw/zinc/34/59/67/807345967.db2.gz VPXBLHSPHJISHS-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001258319253 807408397 /nfs/dbraw/zinc/40/83/97/807408397.db2.gz JUKOUEFJBGUUNK-AWEZNQCLSA-N 2 2 272.502 3.228 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258280695 807392368 /nfs/dbraw/zinc/39/23/68/807392368.db2.gz ZZUIBOIULIBTMQ-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258280695 807392375 /nfs/dbraw/zinc/39/23/75/807392375.db2.gz ZZUIBOIULIBTMQ-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001258288934 807396690 /nfs/dbraw/zinc/39/66/90/807396690.db2.gz KOQRBTOJLJGTGX-HNNXBMFYSA-N 2 2 261.413 3.489 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 ZINC001258469422 807468231 /nfs/dbraw/zinc/46/82/31/807468231.db2.gz BZIOALKAJSMEGA-ZFWWWQNUSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 ZINC001258469422 807468236 /nfs/dbraw/zinc/46/82/36/807468236.db2.gz BZIOALKAJSMEGA-ZFWWWQNUSA-N 2 2 260.381 3.032 20 0 CGADLP CCCC1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258533636 807488578 /nfs/dbraw/zinc/48/85/78/807488578.db2.gz DHSLYJAMOHGJQH-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258533636 807488581 /nfs/dbraw/zinc/48/85/81/807488581.db2.gz DHSLYJAMOHGJQH-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001258533636 807488583 /nfs/dbraw/zinc/48/85/83/807488583.db2.gz DHSLYJAMOHGJQH-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001258533636 807488588 /nfs/dbraw/zinc/48/85/88/807488588.db2.gz DHSLYJAMOHGJQH-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001258736308 807582302 /nfs/dbraw/zinc/58/23/02/807582302.db2.gz QRRNSZWNKJGULI-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001258736308 807582306 /nfs/dbraw/zinc/58/23/06/807582306.db2.gz QRRNSZWNKJGULI-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP CC1(C)C[C@@H]([NH2+]c2ccc(O)cc2)C[C@](C)(C[NH3+])C1 ZINC001169154868 807596382 /nfs/dbraw/zinc/59/63/82/807596382.db2.gz ZBRCFQZHWNDCLE-CJNGLKHVSA-N 2 2 262.397 3.348 20 0 CGADLP CC1(C)C[C@H]([NH2+]c2ccc(O)cc2)C[C@](C)(C[NH3+])C1 ZINC001169154867 807596432 /nfs/dbraw/zinc/59/64/32/807596432.db2.gz ZBRCFQZHWNDCLE-BBRMVZONSA-N 2 2 262.397 3.348 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258778022 807606235 /nfs/dbraw/zinc/60/62/35/807606235.db2.gz RRICRQSJVZCRNI-OAHLLOKOSA-N 2 2 292.467 3.085 20 0 CGADLP CCC[NH+]1CCC([N@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001258778022 807606238 /nfs/dbraw/zinc/60/62/38/807606238.db2.gz RRICRQSJVZCRNI-OAHLLOKOSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258815326 807633085 /nfs/dbraw/zinc/63/30/85/807633085.db2.gz USUJHRUWXCRBSQ-BPUTZDHNSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258815326 807633087 /nfs/dbraw/zinc/63/30/87/807633087.db2.gz USUJHRUWXCRBSQ-BPUTZDHNSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258851008 807659399 /nfs/dbraw/zinc/65/93/99/807659399.db2.gz BSJHGONZSSGGJH-KZNAEPCWSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258851008 807659404 /nfs/dbraw/zinc/65/94/04/807659404.db2.gz BSJHGONZSSGGJH-KZNAEPCWSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258851008 807659407 /nfs/dbraw/zinc/65/94/07/807659407.db2.gz BSJHGONZSSGGJH-KZNAEPCWSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258851008 807659411 /nfs/dbraw/zinc/65/94/11/807659411.db2.gz BSJHGONZSSGGJH-KZNAEPCWSA-N 2 2 272.436 3.034 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001170265777 807809293 /nfs/dbraw/zinc/80/92/93/807809293.db2.gz JOBNMXSPLYGHGO-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001170265777 807809303 /nfs/dbraw/zinc/80/93/03/807809303.db2.gz JOBNMXSPLYGHGO-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767922 807903977 /nfs/dbraw/zinc/90/39/77/807903977.db2.gz SILAVKCWVIFMMV-JONQDZQNSA-N 2 2 286.419 3.278 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767922 807903981 /nfs/dbraw/zinc/90/39/81/807903981.db2.gz SILAVKCWVIFMMV-JONQDZQNSA-N 2 2 286.419 3.278 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016844 807961478 /nfs/dbraw/zinc/96/14/78/807961478.db2.gz BPYSOSIQOUXHJY-LSDHHAIUSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016844 807961480 /nfs/dbraw/zinc/96/14/80/807961480.db2.gz BPYSOSIQOUXHJY-LSDHHAIUSA-N 2 2 292.854 3.270 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171558208 808095132 /nfs/dbraw/zinc/09/51/32/808095132.db2.gz CXBQAUKQFYJDKP-ZWKOTPCHSA-N 2 2 298.474 3.459 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171558208 808095137 /nfs/dbraw/zinc/09/51/37/808095137.db2.gz CXBQAUKQFYJDKP-ZWKOTPCHSA-N 2 2 298.474 3.459 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(C)cccc2C1 ZINC001171574717 808102622 /nfs/dbraw/zinc/10/26/22/808102622.db2.gz OTJNQBSZNYPILO-KRWDZBQOSA-N 2 2 283.419 3.071 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(C)cccc2C1 ZINC001171574717 808102630 /nfs/dbraw/zinc/10/26/30/808102630.db2.gz OTJNQBSZNYPILO-KRWDZBQOSA-N 2 2 283.419 3.071 20 0 CGADLP c1cn([C@@H]2CSc3ccccc3C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001172206588 808199500 /nfs/dbraw/zinc/19/95/00/808199500.db2.gz SDMBXAYQFMBXSB-GJZGRUSLSA-N 2 2 299.443 3.240 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172371875 808266976 /nfs/dbraw/zinc/26/69/76/808266976.db2.gz BGDCZCAAROUVFO-SQWLQELKSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172371875 808266980 /nfs/dbraw/zinc/26/69/80/808266980.db2.gz BGDCZCAAROUVFO-SQWLQELKSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H](CC(C)C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172396422 808285836 /nfs/dbraw/zinc/28/58/36/808285836.db2.gz UZOSHPRTVGXXMW-ZDUSSCGKSA-N 2 2 269.458 3.381 20 0 CGADLP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172461185 808332920 /nfs/dbraw/zinc/33/29/20/808332920.db2.gz APOWSBSFBRMCIO-HOTGVXAUSA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172461185 808332927 /nfs/dbraw/zinc/33/29/27/808332927.db2.gz APOWSBSFBRMCIO-HOTGVXAUSA-N 2 2 284.488 3.148 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001173242389 808550608 /nfs/dbraw/zinc/55/06/08/808550608.db2.gz CWHOWHBROIUBKE-INIZCTEOSA-N 2 2 285.435 3.399 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001173242389 808550610 /nfs/dbraw/zinc/55/06/10/808550610.db2.gz CWHOWHBROIUBKE-INIZCTEOSA-N 2 2 285.435 3.399 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001173265018 808570175 /nfs/dbraw/zinc/57/01/75/808570175.db2.gz YAHMRNJBAILJEY-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP C1=CC[C@H](C[N@@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CC1 ZINC001275040438 808900400 /nfs/dbraw/zinc/90/04/00/808900400.db2.gz KCBALPJNDRUEMA-XYJFISCASA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@H](C[N@H+]2CC[C@H]3C[NH+](C4CCCC4)C[C@H]32)CC1 ZINC001275040438 808900408 /nfs/dbraw/zinc/90/04/08/808900408.db2.gz KCBALPJNDRUEMA-XYJFISCASA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)CC1 ZINC001275040438 808900416 /nfs/dbraw/zinc/90/04/16/808900416.db2.gz KCBALPJNDRUEMA-XYJFISCASA-N 2 2 274.452 3.291 20 0 CGADLP C1=CC[C@H](C[NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CC1 ZINC001275040438 808900421 /nfs/dbraw/zinc/90/04/21/808900421.db2.gz KCBALPJNDRUEMA-XYJFISCASA-N 2 2 274.452 3.291 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)o1 ZINC001276148585 808990553 /nfs/dbraw/zinc/99/05/53/808990553.db2.gz KTINBHKEOBIDAH-KRWDZBQOSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)o1 ZINC001276148585 808990557 /nfs/dbraw/zinc/99/05/57/808990557.db2.gz KTINBHKEOBIDAH-KRWDZBQOSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)o1 ZINC001276148585 808990562 /nfs/dbraw/zinc/99/05/62/808990562.db2.gz KTINBHKEOBIDAH-KRWDZBQOSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)o1 ZINC001276148585 808990564 /nfs/dbraw/zinc/99/05/64/808990564.db2.gz KTINBHKEOBIDAH-KRWDZBQOSA-N 2 2 276.424 3.150 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001276764315 809029362 /nfs/dbraw/zinc/02/93/62/809029362.db2.gz KVRGLVVMFJHWJF-CNMWIUBYSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001276764315 809029367 /nfs/dbraw/zinc/02/93/67/809029367.db2.gz KVRGLVVMFJHWJF-CNMWIUBYSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001276764315 809029373 /nfs/dbraw/zinc/02/93/73/809029373.db2.gz KVRGLVVMFJHWJF-CNMWIUBYSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001276764315 809029380 /nfs/dbraw/zinc/02/93/80/809029380.db2.gz KVRGLVVMFJHWJF-CNMWIUBYSA-N 2 2 286.463 3.147 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cnc1C1CC1 ZINC001277828417 809100586 /nfs/dbraw/zinc/10/05/86/809100586.db2.gz NYQSEDQSTWYVJN-IBGZPJMESA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cnc1C1CC1 ZINC001277828417 809100590 /nfs/dbraw/zinc/10/05/90/809100590.db2.gz NYQSEDQSTWYVJN-IBGZPJMESA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cnc1C1CC1 ZINC001277828417 809100593 /nfs/dbraw/zinc/10/05/93/809100593.db2.gz NYQSEDQSTWYVJN-IBGZPJMESA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cnc1C1CC1 ZINC001277828417 809100598 /nfs/dbraw/zinc/10/05/98/809100598.db2.gz NYQSEDQSTWYVJN-IBGZPJMESA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cn2cccc(Nc3ccc(C[NH+](C)C)cc3)c2[nH+]1 ZINC001176291509 809663453 /nfs/dbraw/zinc/66/34/53/809663453.db2.gz BXPYNQVFRQMBCS-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP FC(F)Sc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC001177112389 809781612 /nfs/dbraw/zinc/78/16/12/809781612.db2.gz NOLHTLVZLUPHHY-UHFFFAOYSA-N 2 2 286.391 3.187 20 0 CGADLP c1nc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2s1 ZINC001177303216 809793054 /nfs/dbraw/zinc/79/30/54/809793054.db2.gz GZMWGRJBRMFWFG-DZGCQCFKSA-N 2 2 287.432 3.013 20 0 CGADLP c1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2s1 ZINC001177303216 809793058 /nfs/dbraw/zinc/79/30/58/809793058.db2.gz GZMWGRJBRMFWFG-DZGCQCFKSA-N 2 2 287.432 3.013 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC001198992124 811554820 /nfs/dbraw/zinc/55/48/20/811554820.db2.gz WVYVXGRMSYKLDZ-OAHLLOKOSA-N 2 2 299.443 3.474 20 0 CGADLP C[C@H]1CC([NH2+]CCCNc2cccc[nH+]2)C[C@H](C)C1 ZINC001200900693 811762120 /nfs/dbraw/zinc/76/21/20/811762120.db2.gz AACJLNYEUVGTKV-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201564294 811905033 /nfs/dbraw/zinc/90/50/33/811905033.db2.gz XYBZEYHQPNTKAX-HIFRSBDPSA-N 2 2 262.397 3.279 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201564294 811905040 /nfs/dbraw/zinc/90/50/40/811905040.db2.gz XYBZEYHQPNTKAX-HIFRSBDPSA-N 2 2 262.397 3.279 20 0 CGADLP CCc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001202986246 812214336 /nfs/dbraw/zinc/21/43/36/812214336.db2.gz ONDQDIMEAKNJKM-ROUUACIJSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001202986246 812214345 /nfs/dbraw/zinc/21/43/45/812214345.db2.gz ONDQDIMEAKNJKM-ROUUACIJSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c(C)[nH+]1 ZINC001203244056 812278766 /nfs/dbraw/zinc/27/87/66/812278766.db2.gz QTTOERSXXVXZRR-HNNXBMFYSA-N 2 2 299.418 3.242 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@H](Oc3ccccc3C)C2)c(C)[nH+]1 ZINC001203244056 812278771 /nfs/dbraw/zinc/27/87/71/812278771.db2.gz QTTOERSXXVXZRR-HNNXBMFYSA-N 2 2 299.418 3.242 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001203328494 812312743 /nfs/dbraw/zinc/31/27/43/812312743.db2.gz SOMRMLCUJZWDQK-HWMZRRJGSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001203328494 812312753 /nfs/dbraw/zinc/31/27/53/812312753.db2.gz SOMRMLCUJZWDQK-HWMZRRJGSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c(C)[nH+]1 ZINC001203372721 812329481 /nfs/dbraw/zinc/32/94/81/812329481.db2.gz FGBLAIJBCWZBEN-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001203918336 812491610 /nfs/dbraw/zinc/49/16/10/812491610.db2.gz SRSNKWWXXFOLRE-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001203918336 812491618 /nfs/dbraw/zinc/49/16/18/812491618.db2.gz SRSNKWWXXFOLRE-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CC2 ZINC001204903986 812771234 /nfs/dbraw/zinc/77/12/34/812771234.db2.gz JDGKOIYGZIIIKK-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CC2 ZINC001204903986 812771239 /nfs/dbraw/zinc/77/12/39/812771239.db2.gz JDGKOIYGZIIIKK-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204938846 812786619 /nfs/dbraw/zinc/78/66/19/812786619.db2.gz NLXNXUZUKJDCJZ-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204938846 812786621 /nfs/dbraw/zinc/78/66/21/812786621.db2.gz NLXNXUZUKJDCJZ-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001204940546 812788221 /nfs/dbraw/zinc/78/82/21/812788221.db2.gz ZGVGDBAJMNCWQI-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001204940546 812788223 /nfs/dbraw/zinc/78/82/23/812788223.db2.gz ZGVGDBAJMNCWQI-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001204940548 812788766 /nfs/dbraw/zinc/78/87/66/812788766.db2.gz ZGVGDBAJMNCWQI-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001204940548 812788773 /nfs/dbraw/zinc/78/87/73/812788773.db2.gz ZGVGDBAJMNCWQI-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C)c2Cl)C1 ZINC001205018624 812828003 /nfs/dbraw/zinc/82/80/03/812828003.db2.gz WDMPNHNWZGOYRP-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C)c2Cl)C1 ZINC001205018624 812828011 /nfs/dbraw/zinc/82/80/11/812828011.db2.gz WDMPNHNWZGOYRP-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP CCCCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205069317 812846606 /nfs/dbraw/zinc/84/66/06/812846606.db2.gz XZPZHQXINURWLJ-STQMWFEESA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205069317 812846613 /nfs/dbraw/zinc/84/66/13/812846613.db2.gz XZPZHQXINURWLJ-STQMWFEESA-N 2 2 266.454 3.402 20 0 CGADLP Cc1cccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1C ZINC001205075549 812849562 /nfs/dbraw/zinc/84/95/62/812849562.db2.gz PFSBEKGAEMEHMA-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1cccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C ZINC001205075549 812849571 /nfs/dbraw/zinc/84/95/71/812849571.db2.gz PFSBEKGAEMEHMA-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001205089139 812856992 /nfs/dbraw/zinc/85/69/92/812856992.db2.gz YRBSZKMJXTZPMU-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2c(F)cccc12 ZINC001205089139 812856998 /nfs/dbraw/zinc/85/69/98/812856998.db2.gz YRBSZKMJXTZPMU-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001205093439 812859749 /nfs/dbraw/zinc/85/97/49/812859749.db2.gz ACLCRFQWPQVAHP-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001205093439 812859752 /nfs/dbraw/zinc/85/97/52/812859752.db2.gz ACLCRFQWPQVAHP-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205094670 812861961 /nfs/dbraw/zinc/86/19/61/812861961.db2.gz NWHXVXCYIJPMLC-SNVBAGLBSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205094670 812861970 /nfs/dbraw/zinc/86/19/70/812861970.db2.gz NWHXVXCYIJPMLC-SNVBAGLBSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1CCc1ccccc1 ZINC001205197609 812906034 /nfs/dbraw/zinc/90/60/34/812906034.db2.gz VGYSIVBIRQHKJB-OXQOHEQNSA-N 2 2 294.442 3.393 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1CCc1ccccc1 ZINC001205197609 812906038 /nfs/dbraw/zinc/90/60/38/812906038.db2.gz VGYSIVBIRQHKJB-OXQOHEQNSA-N 2 2 294.442 3.393 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205266739 812921983 /nfs/dbraw/zinc/92/19/83/812921983.db2.gz XBBNPQNDSJUPNE-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205266739 812921988 /nfs/dbraw/zinc/92/19/88/812921988.db2.gz XBBNPQNDSJUPNE-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205316463 812949268 /nfs/dbraw/zinc/94/92/68/812949268.db2.gz JEZBCJAWBUWHNH-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205316463 812949275 /nfs/dbraw/zinc/94/92/75/812949275.db2.gz JEZBCJAWBUWHNH-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)C[NH+](C)C ZINC001205727696 813061553 /nfs/dbraw/zinc/06/15/53/813061553.db2.gz DNCJYUWLPBTHQY-CABCVRRESA-N 2 2 274.452 3.036 20 0 CGADLP Cc1cccnc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001205779451 813075567 /nfs/dbraw/zinc/07/55/67/813075567.db2.gz JKEWRCXAFGETPM-UHFFFAOYSA-N 2 2 299.462 3.230 20 0 CGADLP Cc1cccnc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001205779451 813075578 /nfs/dbraw/zinc/07/55/78/813075578.db2.gz JKEWRCXAFGETPM-UHFFFAOYSA-N 2 2 299.462 3.230 20 0 CGADLP CCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1CC ZINC001205814844 813091054 /nfs/dbraw/zinc/09/10/54/813091054.db2.gz DPJJMODYXOSXHM-YOEHRIQHSA-N 2 2 290.451 3.207 20 0 CGADLP CCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1CC ZINC001205814844 813091060 /nfs/dbraw/zinc/09/10/60/813091060.db2.gz DPJJMODYXOSXHM-YOEHRIQHSA-N 2 2 290.451 3.207 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c(C)c12 ZINC001206065488 813188176 /nfs/dbraw/zinc/18/81/76/813188176.db2.gz YEWXPRSRVRBDRQ-LDYMZIIASA-N 2 2 280.462 3.359 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c(C)c12 ZINC001206065488 813188180 /nfs/dbraw/zinc/18/81/80/813188180.db2.gz YEWXPRSRVRBDRQ-LDYMZIIASA-N 2 2 280.462 3.359 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206262767 813262334 /nfs/dbraw/zinc/26/23/34/813262334.db2.gz GAQCFBWAMRYTCU-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)c2)cc1 ZINC001206262767 813262338 /nfs/dbraw/zinc/26/23/38/813262338.db2.gz GAQCFBWAMRYTCU-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269554 813266170 /nfs/dbraw/zinc/26/61/70/813266170.db2.gz QSXGBAWZFMMJMN-INIZCTEOSA-N 2 2 290.451 3.297 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269554 813266176 /nfs/dbraw/zinc/26/61/76/813266176.db2.gz QSXGBAWZFMMJMN-INIZCTEOSA-N 2 2 290.451 3.297 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1C(C)C ZINC001206277342 813269289 /nfs/dbraw/zinc/26/92/89/813269289.db2.gz RZORFPUSIFHXHO-CQSZACIVSA-N 2 2 290.451 3.168 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1C(C)C ZINC001206277342 813269294 /nfs/dbraw/zinc/26/92/94/813269294.db2.gz RZORFPUSIFHXHO-CQSZACIVSA-N 2 2 290.451 3.168 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343838 813296275 /nfs/dbraw/zinc/29/62/75/813296275.db2.gz JHSAODSGJYPQAU-QGZVFWFLSA-N 2 2 289.398 3.129 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343838 813296279 /nfs/dbraw/zinc/29/62/79/813296279.db2.gz JHSAODSGJYPQAU-QGZVFWFLSA-N 2 2 289.398 3.129 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc(C)c1F ZINC001206361267 813303461 /nfs/dbraw/zinc/30/34/61/813303461.db2.gz HHLWXEJBAIYRRF-INIZCTEOSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc(C)c1F ZINC001206361267 813303467 /nfs/dbraw/zinc/30/34/67/813303467.db2.gz HHLWXEJBAIYRRF-INIZCTEOSA-N 2 2 282.378 3.095 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C[C@@H]1OC ZINC001206646184 813386562 /nfs/dbraw/zinc/38/65/62/813386562.db2.gz PQYFZGKTLNXYAA-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C[C@@H]1OC ZINC001206646184 813386570 /nfs/dbraw/zinc/38/65/70/813386570.db2.gz PQYFZGKTLNXYAA-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP CC[NH2+]CC[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704811 813402791 /nfs/dbraw/zinc/40/27/91/813402791.db2.gz XCFCNQZIXOQWCK-UHFFFAOYSA-N 2 2 280.843 3.204 20 0 CGADLP CCCCCCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206711682 813405676 /nfs/dbraw/zinc/40/56/76/813405676.db2.gz MUJRSNWGPHOXDE-UHFFFAOYSA-N 2 2 290.451 3.426 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206769430 813432636 /nfs/dbraw/zinc/43/26/36/813432636.db2.gz PDJBNQSDFRYGTI-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206769430 813432640 /nfs/dbraw/zinc/43/26/40/813432640.db2.gz PDJBNQSDFRYGTI-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206807239 813441507 /nfs/dbraw/zinc/44/15/07/813441507.db2.gz HYXZZWCZHPWRRP-PWSUYJOCSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206807239 813441511 /nfs/dbraw/zinc/44/15/11/813441511.db2.gz HYXZZWCZHPWRRP-PWSUYJOCSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001207060045 813476805 /nfs/dbraw/zinc/47/68/05/813476805.db2.gz FSTKFWMUHONSLO-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001207060045 813476810 /nfs/dbraw/zinc/47/68/10/813476810.db2.gz FSTKFWMUHONSLO-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP C[NH+](C)CC1(C[NH+]2Cc3ccccc3C2)CCCC1 ZINC001208182437 813734072 /nfs/dbraw/zinc/73/40/72/813734072.db2.gz UDHXNZLFPFULRV-UHFFFAOYSA-N 2 2 258.409 3.124 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614392 813774990 /nfs/dbraw/zinc/77/49/90/813774990.db2.gz DDSOXRNUFFNRRU-BBRMVZONSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614392 813774998 /nfs/dbraw/zinc/77/49/98/813774998.db2.gz DDSOXRNUFFNRRU-BBRMVZONSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614392 813775008 /nfs/dbraw/zinc/77/50/08/813775008.db2.gz DDSOXRNUFFNRRU-BBRMVZONSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614392 813775013 /nfs/dbraw/zinc/77/50/13/813775013.db2.gz DDSOXRNUFFNRRU-BBRMVZONSA-N 2 2 294.389 3.444 20 0 CGADLP CC/C=C\CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001208732584 813820322 /nfs/dbraw/zinc/82/03/22/813820322.db2.gz CPBJMUSBRJCDIQ-XVWMLYKFSA-N 2 2 260.381 3.199 20 0 CGADLP CC/C=C\CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001208732584 813820333 /nfs/dbraw/zinc/82/03/33/813820333.db2.gz CPBJMUSBRJCDIQ-XVWMLYKFSA-N 2 2 260.381 3.199 20 0 CGADLP c1csc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001209222650 813972985 /nfs/dbraw/zinc/97/29/85/813972985.db2.gz LBGQAYHCBLWWPX-UHFFFAOYSA-N 2 2 288.416 3.229 20 0 CGADLP C[C@H]1C(=O)CC[N@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC001209454858 814048572 /nfs/dbraw/zinc/04/85/72/814048572.db2.gz VVDOUFFVEZJKPW-INIZCTEOSA-N 2 2 292.467 3.086 20 0 CGADLP C[C@H]1C(=O)CC[N@@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC001209454858 814048576 /nfs/dbraw/zinc/04/85/76/814048576.db2.gz VVDOUFFVEZJKPW-INIZCTEOSA-N 2 2 292.467 3.086 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001209733682 814125606 /nfs/dbraw/zinc/12/56/06/814125606.db2.gz ROVSIPAAANDPCW-KRWDZBQOSA-N 2 2 295.430 3.339 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001209733682 814125612 /nfs/dbraw/zinc/12/56/12/814125612.db2.gz ROVSIPAAANDPCW-KRWDZBQOSA-N 2 2 295.430 3.339 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(C)cc3)cc2)C1 ZINC001210561130 814526640 /nfs/dbraw/zinc/52/66/40/814526640.db2.gz GTTFXKIADBQCMU-UHFFFAOYSA-N 2 2 280.415 3.313 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001211130083 814756604 /nfs/dbraw/zinc/75/66/04/814756604.db2.gz WVEICWCVOPQWOY-UHFFFAOYSA-N 2 2 292.386 3.394 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cccc3[nH+]ccn32)c1F ZINC001216226824 815745413 /nfs/dbraw/zinc/74/54/13/815745413.db2.gz BVUUKGLUEUZZKN-UHFFFAOYSA-N 2 2 284.338 3.279 20 0 CGADLP c1ccc(C2(C[N@@H+]3CC[C@@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222192473 816371743 /nfs/dbraw/zinc/37/17/43/816371743.db2.gz VZRPNLRXYBHKSO-LJQANCHMSA-N 2 2 284.447 3.326 20 0 CGADLP c1ccc(C2(C[N@H+]3CC[C@@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222192473 816371751 /nfs/dbraw/zinc/37/17/51/816371751.db2.gz VZRPNLRXYBHKSO-LJQANCHMSA-N 2 2 284.447 3.326 20 0 CGADLP c1ccc(CCCCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192667 816372063 /nfs/dbraw/zinc/37/20/63/816372063.db2.gz YKSUZMHJJAEIBB-GOSISDBHSA-N 2 2 272.436 3.227 20 0 CGADLP c1ccc(CCCCC[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192667 816372073 /nfs/dbraw/zinc/37/20/73/816372073.db2.gz YKSUZMHJJAEIBB-GOSISDBHSA-N 2 2 272.436 3.227 20 0 CGADLP Fc1cccc2c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237939 816382736 /nfs/dbraw/zinc/38/27/36/816382736.db2.gz XJLVABAJUAEMSR-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cccc2c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001222237939 816382747 /nfs/dbraw/zinc/38/27/47/816382747.db2.gz XJLVABAJUAEMSR-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222283143 816394335 /nfs/dbraw/zinc/39/43/35/816394335.db2.gz TZPKQGPUZVLMBL-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222283143 816394343 /nfs/dbraw/zinc/39/43/43/816394343.db2.gz TZPKQGPUZVLMBL-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222353836 816417316 /nfs/dbraw/zinc/41/73/16/816417316.db2.gz IUAVTXZZAMWHBF-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222353836 816417322 /nfs/dbraw/zinc/41/73/22/816417322.db2.gz IUAVTXZZAMWHBF-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)o1 ZINC001222385902 816426890 /nfs/dbraw/zinc/42/68/90/816426890.db2.gz ZVQQRTBQBUFLLT-QGZVFWFLSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)o1 ZINC001222385902 816426895 /nfs/dbraw/zinc/42/68/95/816426895.db2.gz ZVQQRTBQBUFLLT-QGZVFWFLSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222470249 816452396 /nfs/dbraw/zinc/45/23/96/816452396.db2.gz CCVNZWAXJOUCSW-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222470249 816452401 /nfs/dbraw/zinc/45/24/01/816452401.db2.gz CCVNZWAXJOUCSW-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1cc(COC2CCN(c3cc[nH+]cc3)CC2)cc(C)[nH+]1 ZINC001223422237 816627684 /nfs/dbraw/zinc/62/76/84/816627684.db2.gz VHTLDPZISKFSLZ-UHFFFAOYSA-N 2 2 297.402 3.279 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2c[nH+]cn2C)cc1F ZINC001243072472 823235980 /nfs/dbraw/zinc/23/59/80/823235980.db2.gz PPABVHZHOPHESD-UHFFFAOYSA-N 2 2 261.344 3.068 20 0 CGADLP c1c2ccccc2[nH]c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243103857 823248218 /nfs/dbraw/zinc/24/82/18/823248218.db2.gz OFUBANNTOZQCNF-UHFFFAOYSA-N 2 2 288.354 3.169 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001227261417 817610401 /nfs/dbraw/zinc/61/04/01/817610401.db2.gz AOSXOBZWUZBVOF-HZPDHXFCSA-N 2 2 297.402 3.308 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001227261417 817610408 /nfs/dbraw/zinc/61/04/08/817610408.db2.gz AOSXOBZWUZBVOF-HZPDHXFCSA-N 2 2 297.402 3.308 20 0 CGADLP Cc1cc[nH+]c(C)c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001227266212 817611906 /nfs/dbraw/zinc/61/19/06/817611906.db2.gz YPEFNMOETXUDRA-UHFFFAOYSA-N 2 2 262.397 3.340 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1O ZINC001243308352 823339294 /nfs/dbraw/zinc/33/92/94/823339294.db2.gz LCJQIQYNQHUVDI-SFHVURJKSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1O ZINC001243308352 823339300 /nfs/dbraw/zinc/33/93/00/823339300.db2.gz LCJQIQYNQHUVDI-SFHVURJKSA-N 2 2 296.414 3.209 20 0 CGADLP CC[NH+](CC)Cc1ccccc1-c1ccc[nH+]c1N ZINC001243337834 823351147 /nfs/dbraw/zinc/35/11/47/823351147.db2.gz GWEIBDAAAIKIRZ-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP COc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001234034229 818763244 /nfs/dbraw/zinc/76/32/44/818763244.db2.gz ZVBQZFJRUJELHH-HZPDHXFCSA-N 2 2 297.402 3.113 20 0 CGADLP CC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041122 818764517 /nfs/dbraw/zinc/76/45/17/818764517.db2.gz ACBQUHZGCAEDMV-CYBMUJFWSA-N 2 2 273.380 3.111 20 0 CGADLP CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041122 818764523 /nfs/dbraw/zinc/76/45/23/818764523.db2.gz ACBQUHZGCAEDMV-CYBMUJFWSA-N 2 2 273.380 3.111 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032855 818984004 /nfs/dbraw/zinc/98/40/04/818984004.db2.gz LYTMSVUKQPIWNF-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032855 818984009 /nfs/dbraw/zinc/98/40/09/818984009.db2.gz LYTMSVUKQPIWNF-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074054 818994230 /nfs/dbraw/zinc/99/42/30/818994230.db2.gz AAPUOYOFPDWASE-QZTJIDSGSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074054 818994234 /nfs/dbraw/zinc/99/42/34/818994234.db2.gz AAPUOYOFPDWASE-QZTJIDSGSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235067391 818995325 /nfs/dbraw/zinc/99/53/25/818995325.db2.gz ZGZFOMHMLIIKQC-INIZCTEOSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235067391 818995332 /nfs/dbraw/zinc/99/53/32/818995332.db2.gz ZGZFOMHMLIIKQC-INIZCTEOSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235155906 819018477 /nfs/dbraw/zinc/01/84/77/819018477.db2.gz YTGYLRVGZRAEIZ-HKUYNNGSSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cccc1-c1ccccc1 ZINC001235155906 819018484 /nfs/dbraw/zinc/01/84/84/819018484.db2.gz YTGYLRVGZRAEIZ-HKUYNNGSSA-N 2 2 278.399 3.195 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235162772 819019946 /nfs/dbraw/zinc/01/99/46/819019946.db2.gz SVXLPDRSUGUCPA-PKOBYXMFSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235162772 819019951 /nfs/dbraw/zinc/01/99/51/819019951.db2.gz SVXLPDRSUGUCPA-PKOBYXMFSA-N 2 2 296.389 3.416 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167320 819021432 /nfs/dbraw/zinc/02/14/32/819021432.db2.gz HZLRHBWCIHUBGV-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167320 819021437 /nfs/dbraw/zinc/02/14/37/819021437.db2.gz HZLRHBWCIHUBGV-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1C ZINC001235189389 819030535 /nfs/dbraw/zinc/03/05/35/819030535.db2.gz ZTWVAPJXARAJEC-FUHWJXTLSA-N 2 2 272.436 3.022 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1C ZINC001235189389 819030543 /nfs/dbraw/zinc/03/05/43/819030543.db2.gz ZTWVAPJXARAJEC-FUHWJXTLSA-N 2 2 272.436 3.022 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC001235212348 819038964 /nfs/dbraw/zinc/03/89/64/819038964.db2.gz DLGPAKWZBAIVMS-KFKAGJAMSA-N 2 2 286.463 3.282 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC001235212348 819038971 /nfs/dbraw/zinc/03/89/71/819038971.db2.gz DLGPAKWZBAIVMS-KFKAGJAMSA-N 2 2 286.463 3.282 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235247270 819048100 /nfs/dbraw/zinc/04/81/00/819048100.db2.gz CWPYIMVPYHPCRE-GDBMZVCRSA-N 2 2 276.449 3.030 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235247270 819048108 /nfs/dbraw/zinc/04/81/08/819048108.db2.gz CWPYIMVPYHPCRE-GDBMZVCRSA-N 2 2 276.449 3.030 20 0 CGADLP Cc1c(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1Cl ZINC001235248568 819048638 /nfs/dbraw/zinc/04/86/38/819048638.db2.gz VSBFVJMYVXGYAL-GDBMZVCRSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1c(C)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1Cl ZINC001235248568 819048639 /nfs/dbraw/zinc/04/86/39/819048639.db2.gz VSBFVJMYVXGYAL-GDBMZVCRSA-N 2 2 278.827 3.270 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)ccc1-2 ZINC001235258945 819053278 /nfs/dbraw/zinc/05/32/78/819053278.db2.gz LMXMSBBYHGHHOH-PXNSSMCTSA-N 2 2 290.410 3.052 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)ccc1-2 ZINC001235258945 819053282 /nfs/dbraw/zinc/05/32/82/819053282.db2.gz LMXMSBBYHGHHOH-PXNSSMCTSA-N 2 2 290.410 3.052 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235361495 819078203 /nfs/dbraw/zinc/07/82/03/819078203.db2.gz GQOITVMWEMMXAX-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235361495 819078210 /nfs/dbraw/zinc/07/82/10/819078210.db2.gz GQOITVMWEMMXAX-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001235362802 819079768 /nfs/dbraw/zinc/07/97/68/819079768.db2.gz NNJVJDDXQYSVEE-INIZCTEOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001235362802 819079772 /nfs/dbraw/zinc/07/97/72/819079772.db2.gz NNJVJDDXQYSVEE-INIZCTEOSA-N 2 2 266.388 3.195 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001235435568 819098327 /nfs/dbraw/zinc/09/83/27/819098327.db2.gz PWKHDISEYGHBQO-UHFFFAOYSA-N 2 2 298.711 3.279 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC001235435568 819098331 /nfs/dbraw/zinc/09/83/31/819098331.db2.gz PWKHDISEYGHBQO-UHFFFAOYSA-N 2 2 298.711 3.279 20 0 CGADLP Cc1cc(C[N@H+](C)CCC[NH3+])c(Cl)cc1Cl ZINC001235435199 819098522 /nfs/dbraw/zinc/09/85/22/819098522.db2.gz CCEXIHZPROBMMQ-UHFFFAOYSA-N 2 2 261.196 3.082 20 0 CGADLP Cc1cc(C[N@@H+](C)CCC[NH3+])c(Cl)cc1Cl ZINC001235435199 819098525 /nfs/dbraw/zinc/09/85/25/819098525.db2.gz CCEXIHZPROBMMQ-UHFFFAOYSA-N 2 2 261.196 3.082 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235724882 819154019 /nfs/dbraw/zinc/15/40/19/819154019.db2.gz KODDPFDZXOPVJQ-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC001235724882 819154021 /nfs/dbraw/zinc/15/40/21/819154021.db2.gz KODDPFDZXOPVJQ-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CC[N@H+](Cc1cc(C)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001235765292 819163261 /nfs/dbraw/zinc/16/32/61/819163261.db2.gz YRONXHMOUNWYMC-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(Cl)cc1F)C1CC[NH2+]CC1 ZINC001235765292 819163264 /nfs/dbraw/zinc/16/32/64/819163264.db2.gz YRONXHMOUNWYMC-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1F ZINC001235799619 819170811 /nfs/dbraw/zinc/17/08/11/819170811.db2.gz JWNJISHFCKYXGP-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1F ZINC001235799619 819170814 /nfs/dbraw/zinc/17/08/14/819170814.db2.gz JWNJISHFCKYXGP-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235890760 819199064 /nfs/dbraw/zinc/19/90/64/819199064.db2.gz GFZOFHDCBGDZMA-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235890760 819199067 /nfs/dbraw/zinc/19/90/67/819199067.db2.gz GFZOFHDCBGDZMA-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900194 819210151 /nfs/dbraw/zinc/21/01/51/819210151.db2.gz OXGWPECRHDVWGO-RQJABVFESA-N 2 2 290.373 3.190 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900194 819210158 /nfs/dbraw/zinc/21/01/58/819210158.db2.gz OXGWPECRHDVWGO-RQJABVFESA-N 2 2 290.373 3.190 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235947278 819235436 /nfs/dbraw/zinc/23/54/36/819235436.db2.gz HXVAROZPMJMTMK-UHFFFAOYSA-N 2 2 284.403 3.228 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001235947278 819235444 /nfs/dbraw/zinc/23/54/44/819235444.db2.gz HXVAROZPMJMTMK-UHFFFAOYSA-N 2 2 284.403 3.228 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950391 819239755 /nfs/dbraw/zinc/23/97/55/819239755.db2.gz DPSGGRFPKXTTPT-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950391 819239760 /nfs/dbraw/zinc/23/97/60/819239760.db2.gz DPSGGRFPKXTTPT-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)o1 ZINC001235988315 819260463 /nfs/dbraw/zinc/26/04/63/819260463.db2.gz GQQNBIYYUKGRSC-FUHWJXTLSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)o1 ZINC001235988315 819260466 /nfs/dbraw/zinc/26/04/66/819260466.db2.gz GQQNBIYYUKGRSC-FUHWJXTLSA-N 2 2 282.387 3.178 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985495 819260719 /nfs/dbraw/zinc/26/07/19/819260719.db2.gz CDYLJLPFIQTVTR-RHSMWYFYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985495 819260727 /nfs/dbraw/zinc/26/07/27/819260727.db2.gz CDYLJLPFIQTVTR-RHSMWYFYSA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005891 819271416 /nfs/dbraw/zinc/27/14/16/819271416.db2.gz GEXUWCJHLLGYNH-MRXNPFEDSA-N 2 2 290.451 3.393 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236005891 819271421 /nfs/dbraw/zinc/27/14/21/819271421.db2.gz GEXUWCJHLLGYNH-MRXNPFEDSA-N 2 2 290.451 3.393 20 0 CGADLP CC[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236011302 819274177 /nfs/dbraw/zinc/27/41/77/819274177.db2.gz WTUYZYJCSPANFB-QGZVFWFLSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236011302 819274180 /nfs/dbraw/zinc/27/41/80/819274180.db2.gz WTUYZYJCSPANFB-QGZVFWFLSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236011400 819275361 /nfs/dbraw/zinc/27/53/61/819275361.db2.gz YLBDGGRPADAURY-MRXNPFEDSA-N 2 2 284.403 3.119 20 0 CGADLP CC[N@@H+](Cc1cc(O)cc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236011400 819275366 /nfs/dbraw/zinc/27/53/66/819275366.db2.gz YLBDGGRPADAURY-MRXNPFEDSA-N 2 2 284.403 3.119 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)c2)cc1 ZINC001236021027 819276379 /nfs/dbraw/zinc/27/63/79/819276379.db2.gz AXBBKQSEWLSISY-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)c2)cc1 ZINC001236021027 819276385 /nfs/dbraw/zinc/27/63/85/819276385.db2.gz AXBBKQSEWLSISY-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cc3ccccc3s2)C1 ZINC001236045898 819283875 /nfs/dbraw/zinc/28/38/75/819283875.db2.gz DTLAGVWVGSPXCL-DGCLKSJQSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001236045898 819283879 /nfs/dbraw/zinc/28/38/79/819283879.db2.gz DTLAGVWVGSPXCL-DGCLKSJQSA-N 2 2 260.406 3.070 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001236094487 819313017 /nfs/dbraw/zinc/31/30/17/819313017.db2.gz YBVCYKVHMGIOAV-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001236094487 819313020 /nfs/dbraw/zinc/31/30/20/819313020.db2.gz YBVCYKVHMGIOAV-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC001236142946 819344510 /nfs/dbraw/zinc/34/45/10/819344510.db2.gz CDMUFQPIBRDAFI-UHFFFAOYSA-N 2 2 254.377 3.134 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC001236142946 819344517 /nfs/dbraw/zinc/34/45/17/819344517.db2.gz CDMUFQPIBRDAFI-UHFFFAOYSA-N 2 2 254.377 3.134 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001236145345 819345513 /nfs/dbraw/zinc/34/55/13/819345513.db2.gz ZGQNLMBZFMUUJS-UHFFFAOYSA-N 2 2 288.366 3.399 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001236145345 819345520 /nfs/dbraw/zinc/34/55/20/819345520.db2.gz ZGQNLMBZFMUUJS-UHFFFAOYSA-N 2 2 288.366 3.399 20 0 CGADLP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207081 819369376 /nfs/dbraw/zinc/36/93/76/819369376.db2.gz OFRCWOWMSXYUIG-SFHVURJKSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207081 819369381 /nfs/dbraw/zinc/36/93/81/819369381.db2.gz OFRCWOWMSXYUIG-SFHVURJKSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207622 819370203 /nfs/dbraw/zinc/37/02/03/819370203.db2.gz OWTDOOBWRLJBCE-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@]1(C)CCC[NH2+]C1 ZINC001236207622 819370207 /nfs/dbraw/zinc/37/02/07/819370207.db2.gz OWTDOOBWRLJBCE-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209652 819371630 /nfs/dbraw/zinc/37/16/30/819371630.db2.gz XYGGCQXVNGFJQH-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209652 819371635 /nfs/dbraw/zinc/37/16/35/819371635.db2.gz XYGGCQXVNGFJQH-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212966 819373606 /nfs/dbraw/zinc/37/36/06/819373606.db2.gz MWFUFOCXXCDFPW-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212966 819373615 /nfs/dbraw/zinc/37/36/15/819373615.db2.gz MWFUFOCXXCDFPW-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212968 819375083 /nfs/dbraw/zinc/37/50/83/819375083.db2.gz MWFUFOCXXCDFPW-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212968 819375090 /nfs/dbraw/zinc/37/50/90/819375090.db2.gz MWFUFOCXXCDFPW-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216102 819380239 /nfs/dbraw/zinc/38/02/39/819380239.db2.gz ZONSDNZSMBGTGX-KBPBESRZSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216102 819380250 /nfs/dbraw/zinc/38/02/50/819380250.db2.gz ZONSDNZSMBGTGX-KBPBESRZSA-N 2 2 263.429 3.014 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236239273 819397661 /nfs/dbraw/zinc/39/76/61/819397661.db2.gz GHBSWBPQRZUABH-GOSISDBHSA-N 2 2 295.430 3.194 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236239273 819397669 /nfs/dbraw/zinc/39/76/69/819397669.db2.gz GHBSWBPQRZUABH-GOSISDBHSA-N 2 2 295.430 3.194 20 0 CGADLP Oc1ccc2cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001236238505 819397756 /nfs/dbraw/zinc/39/77/56/819397756.db2.gz FRPIYJMDDNVIIS-GOSISDBHSA-N 2 2 296.414 3.262 20 0 CGADLP Oc1ccc2cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001236238505 819397765 /nfs/dbraw/zinc/39/77/65/819397765.db2.gz FRPIYJMDDNVIIS-GOSISDBHSA-N 2 2 296.414 3.262 20 0 CGADLP Fc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001236241932 819400892 /nfs/dbraw/zinc/40/08/92/819400892.db2.gz UQZHIJUVDGVTDE-CQSZACIVSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001236241932 819400898 /nfs/dbraw/zinc/40/08/98/819400898.db2.gz UQZHIJUVDGVTDE-CQSZACIVSA-N 2 2 287.382 3.023 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324078 819426045 /nfs/dbraw/zinc/42/60/45/819426045.db2.gz PQFBFZHKJORMQW-QGZVFWFLSA-N 2 2 290.451 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324078 819426047 /nfs/dbraw/zinc/42/60/47/819426047.db2.gz PQFBFZHKJORMQW-QGZVFWFLSA-N 2 2 290.451 3.222 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410346 819457604 /nfs/dbraw/zinc/45/76/04/819457604.db2.gz YZNRGIHKPJFBRM-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236410346 819457608 /nfs/dbraw/zinc/45/76/08/819457608.db2.gz YZNRGIHKPJFBRM-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236410347 819458061 /nfs/dbraw/zinc/45/80/61/819458061.db2.gz YZSZORFQENQZSX-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1cc(F)c(Cl)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236410347 819458065 /nfs/dbraw/zinc/45/80/65/819458065.db2.gz YZSZORFQENQZSX-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC001236469250 819489549 /nfs/dbraw/zinc/48/95/49/819489549.db2.gz VOSMEQPYHNVGPL-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC001236469250 819489556 /nfs/dbraw/zinc/48/95/56/819489556.db2.gz VOSMEQPYHNVGPL-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CSc1cc(C)cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530775 819523035 /nfs/dbraw/zinc/52/30/35/819523035.db2.gz XEZNIZNMLOBGPM-HNNXBMFYSA-N 2 2 278.465 3.289 20 0 CGADLP CSc1cc(C)cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530775 819523038 /nfs/dbraw/zinc/52/30/38/819523038.db2.gz XEZNIZNMLOBGPM-HNNXBMFYSA-N 2 2 278.465 3.289 20 0 CGADLP C1=CC[C@@H](C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649757 819561391 /nfs/dbraw/zinc/56/13/91/819561391.db2.gz ZKRRKWMPZZSNHI-WBVHZDCISA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@@H](C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649757 819561393 /nfs/dbraw/zinc/56/13/93/819561393.db2.gz ZKRRKWMPZZSNHI-WBVHZDCISA-N 2 2 262.441 3.339 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(COc2ccccc2)cc1 ZINC001236883634 819630785 /nfs/dbraw/zinc/63/07/85/819630785.db2.gz HXLBKHQJPBBSAX-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(COc2ccccc2)cc1 ZINC001236883634 819630791 /nfs/dbraw/zinc/63/07/91/819630791.db2.gz HXLBKHQJPBBSAX-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP CC(C)c1cc(Br)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236908576 819636307 /nfs/dbraw/zinc/63/63/07/819636307.db2.gz LDHCOAOOEHVCTL-NSHDSACASA-N 2 2 299.256 3.352 20 0 CGADLP CC(C)c1cc(Br)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236908576 819636309 /nfs/dbraw/zinc/63/63/09/819636309.db2.gz LDHCOAOOEHVCTL-NSHDSACASA-N 2 2 299.256 3.352 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237028829 819646750 /nfs/dbraw/zinc/64/67/50/819646750.db2.gz UQSLUNKXNNOSHH-IBGZPJMESA-N 2 2 294.442 3.443 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237028829 819646755 /nfs/dbraw/zinc/64/67/55/819646755.db2.gz UQSLUNKXNNOSHH-IBGZPJMESA-N 2 2 294.442 3.443 20 0 CGADLP Cn1c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001237154162 819681992 /nfs/dbraw/zinc/68/19/92/819681992.db2.gz KMJPHNQIWKZCHE-KRWDZBQOSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001237154162 819681997 /nfs/dbraw/zinc/68/19/97/819681997.db2.gz KMJPHNQIWKZCHE-KRWDZBQOSA-N 2 2 297.446 3.285 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)cc1O ZINC001237155597 819682944 /nfs/dbraw/zinc/68/29/44/819682944.db2.gz SMIGFGGTHUAIEP-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)cc1O ZINC001237155597 819682948 /nfs/dbraw/zinc/68/29/48/819682948.db2.gz SMIGFGGTHUAIEP-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc(C)c1O ZINC001237155605 819683117 /nfs/dbraw/zinc/68/31/17/819683117.db2.gz SOGBFYWAZMFBSX-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc(C)c1O ZINC001237155605 819683120 /nfs/dbraw/zinc/68/31/20/819683120.db2.gz SOGBFYWAZMFBSX-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001237917286 819881863 /nfs/dbraw/zinc/88/18/63/819881863.db2.gz QQXGPVWCIHJIHF-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001237917286 819881876 /nfs/dbraw/zinc/88/18/76/819881876.db2.gz QQXGPVWCIHJIHF-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[N@H+](CCC(=O)c1cccs1)Cc1cccc2c[nH+]cn21 ZINC001238111760 819935618 /nfs/dbraw/zinc/93/56/18/819935618.db2.gz XOXQEWIUVLTGFW-UHFFFAOYSA-N 2 2 299.399 3.101 20 0 CGADLP C[N@@H+](CCC(=O)c1cccs1)Cc1cccc2c[nH+]cn21 ZINC001238111760 819935622 /nfs/dbraw/zinc/93/56/22/819935622.db2.gz XOXQEWIUVLTGFW-UHFFFAOYSA-N 2 2 299.399 3.101 20 0 CGADLP CC(C)n1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239078398 820215239 /nfs/dbraw/zinc/21/52/39/820215239.db2.gz NLYCPFQGAVARHD-GOSISDBHSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239078398 820215245 /nfs/dbraw/zinc/21/52/45/820215245.db2.gz NLYCPFQGAVARHD-GOSISDBHSA-N 2 2 283.419 3.269 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC001239536039 820388967 /nfs/dbraw/zinc/38/89/67/820388967.db2.gz BDERBGACCKBKRB-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC001239536039 820388978 /nfs/dbraw/zinc/38/89/78/820388978.db2.gz BDERBGACCKBKRB-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP Cc1cc(-c2ccc(C3CC[NH+](C)CC3)cc2)c[nH+]c1N ZINC001243654925 823475927 /nfs/dbraw/zinc/47/59/27/823475927.db2.gz NPPJNTCNHPOJRS-UHFFFAOYSA-N 2 2 281.403 3.448 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c(F)c3)c2)C1 ZINC001239585690 820434748 /nfs/dbraw/zinc/43/47/48/820434748.db2.gz IHSQXTHUSPZPBF-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c(F)c3)c2)C1 ZINC001239585690 820434752 /nfs/dbraw/zinc/43/47/52/820434752.db2.gz IHSQXTHUSPZPBF-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3[nH]ccc3c2)C1 ZINC001239695943 820527231 /nfs/dbraw/zinc/52/72/31/820527231.db2.gz IZKDUIHKKWFIDY-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3[nH]ccc3c2)C1 ZINC001239695943 820527236 /nfs/dbraw/zinc/52/72/36/820527236.db2.gz IZKDUIHKKWFIDY-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP Nc1cn2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2[nH+]1 ZINC001240060407 820808306 /nfs/dbraw/zinc/80/83/06/820808306.db2.gz TYMYALNVUVCDMO-UHFFFAOYSA-N 2 2 292.386 3.179 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC001240711949 821267033 /nfs/dbraw/zinc/26/70/33/821267033.db2.gz IJHCBJDNQRRXKM-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC001240711949 821267039 /nfs/dbraw/zinc/26/70/39/821267039.db2.gz IJHCBJDNQRRXKM-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241175677 821617363 /nfs/dbraw/zinc/61/73/63/821617363.db2.gz JQUOJUCCQJVVLK-UHFFFAOYSA-N 2 2 273.355 3.312 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241354848 821756160 /nfs/dbraw/zinc/75/61/60/821756160.db2.gz CPIIIYUVVDDOIN-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001241354848 821756162 /nfs/dbraw/zinc/75/61/62/821756162.db2.gz CPIIIYUVVDDOIN-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001241576421 821962503 /nfs/dbraw/zinc/96/25/03/821962503.db2.gz UZEFBPHBMCILPS-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(C)c1N ZINC001241886429 822196243 /nfs/dbraw/zinc/19/62/43/822196243.db2.gz WWDUUCHMVLZHBF-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(C)c1N ZINC001241886429 822196249 /nfs/dbraw/zinc/19/62/49/822196249.db2.gz WWDUUCHMVLZHBF-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001345097175 936801676 /nfs/dbraw/zinc/80/16/76/936801676.db2.gz HXZOISHBHVLUQL-CGTJXYLNSA-N 2 2 298.817 3.022 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC(C)(F)F)C1 ZINC001351160856 937010043 /nfs/dbraw/zinc/01/00/43/937010043.db2.gz AYPNRLAGFHCYLX-ZDUSSCGKSA-N 2 2 285.382 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC001351160856 937010046 /nfs/dbraw/zinc/01/00/46/937010046.db2.gz AYPNRLAGFHCYLX-ZDUSSCGKSA-N 2 2 285.382 3.110 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001351177708 937010370 /nfs/dbraw/zinc/01/03/70/937010370.db2.gz STYQMXSPFLYINK-VXGBXAGGSA-N 2 2 257.381 3.308 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399002612 926753364 /nfs/dbraw/zinc/75/33/64/926753364.db2.gz DREDYKAFTUXFIG-UHOFOFEASA-N 2 2 264.388 3.253 20 0 CGADLP COC1CCC(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001355239258 937131572 /nfs/dbraw/zinc/13/15/72/937131572.db2.gz REZDXPWIPAMDCW-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC001275427090 928521733 /nfs/dbraw/zinc/52/17/33/928521733.db2.gz IKDIWXAQBZEYOH-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC001275427090 928521737 /nfs/dbraw/zinc/52/17/37/928521737.db2.gz IKDIWXAQBZEYOH-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC001275427090 928521740 /nfs/dbraw/zinc/52/17/40/928521740.db2.gz IKDIWXAQBZEYOH-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC001275427090 928521744 /nfs/dbraw/zinc/52/17/44/928521744.db2.gz IKDIWXAQBZEYOH-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001308258485 928870518 /nfs/dbraw/zinc/87/05/18/928870518.db2.gz HPDTUJVXRBIEFD-ROUUACIJSA-N 2 2 296.499 3.293 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001308258485 928870530 /nfs/dbraw/zinc/87/05/30/928870530.db2.gz HPDTUJVXRBIEFD-ROUUACIJSA-N 2 2 296.499 3.293 20 0 CGADLP CCc1nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(C)[nH+]1 ZINC001458496875 937465657 /nfs/dbraw/zinc/46/56/57/937465657.db2.gz MQKONIBXKGBTSD-CQSZACIVSA-N 2 2 288.439 3.166 20 0 CGADLP CCc1nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(C)[nH+]1 ZINC001458496875 937465659 /nfs/dbraw/zinc/46/56/59/937465659.db2.gz MQKONIBXKGBTSD-CQSZACIVSA-N 2 2 288.439 3.166 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C)c(F)c1 ZINC001459864340 937503891 /nfs/dbraw/zinc/50/38/91/937503891.db2.gz FLDCYMXRPOCNEV-HNNXBMFYSA-N 2 2 261.344 3.072 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001460762457 937543560 /nfs/dbraw/zinc/54/35/60/937543560.db2.gz XOAFKVBWGSRHBZ-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001460762457 937543563 /nfs/dbraw/zinc/54/35/63/937543563.db2.gz XOAFKVBWGSRHBZ-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001460762457 937543566 /nfs/dbraw/zinc/54/35/66/937543566.db2.gz XOAFKVBWGSRHBZ-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001460762457 937543568 /nfs/dbraw/zinc/54/35/68/937543568.db2.gz XOAFKVBWGSRHBZ-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001462158150 937622239 /nfs/dbraw/zinc/62/22/39/937622239.db2.gz PJEVPJAYJGNCPL-OWCLPIDISA-N 2 2 264.457 3.134 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001462158150 937622243 /nfs/dbraw/zinc/62/22/43/937622243.db2.gz PJEVPJAYJGNCPL-OWCLPIDISA-N 2 2 264.457 3.134 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307645591 932980406 /nfs/dbraw/zinc/98/04/06/932980406.db2.gz QCOQRIJDIHFTEJ-OIISXLGYSA-N 2 2 287.451 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307645591 932980410 /nfs/dbraw/zinc/98/04/10/932980410.db2.gz QCOQRIJDIHFTEJ-OIISXLGYSA-N 2 2 287.451 3.111 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC001462646111 937656734 /nfs/dbraw/zinc/65/67/34/937656734.db2.gz NAQQUWVEJSLXBL-QLFBSQMISA-N 2 2 254.462 3.377 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H]3CCCC[N@@H+]3C)cccc12 ZINC001308542300 933128059 /nfs/dbraw/zinc/12/80/59/933128059.db2.gz FIEZJJYVLTXCPH-INIZCTEOSA-N 2 2 298.430 3.422 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H]3CCCC[N@H+]3C)cccc12 ZINC001308542300 933128062 /nfs/dbraw/zinc/12/80/62/933128062.db2.gz FIEZJJYVLTXCPH-INIZCTEOSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789099 933176252 /nfs/dbraw/zinc/17/62/52/933176252.db2.gz RESWVIAQTXBLGJ-AZTIMDOBSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789099 933176255 /nfs/dbraw/zinc/17/62/55/933176255.db2.gz RESWVIAQTXBLGJ-AZTIMDOBSA-N 2 2 284.447 3.453 20 0 CGADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H]2CCCC[C@@H]12 ZINC001308840900 933188241 /nfs/dbraw/zinc/18/82/41/933188241.db2.gz PANCQWGCCVRNQO-VIQHNZTISA-N 2 2 262.441 3.172 20 0 CGADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H]2CCCC[C@@H]12 ZINC001308840900 933188242 /nfs/dbraw/zinc/18/82/42/933188242.db2.gz PANCQWGCCVRNQO-VIQHNZTISA-N 2 2 262.441 3.172 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001320051409 933988401 /nfs/dbraw/zinc/98/84/01/933988401.db2.gz IWOBRLCWEKQFTD-LRDDRELGSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001320051409 933988410 /nfs/dbraw/zinc/98/84/10/933988410.db2.gz IWOBRLCWEKQFTD-LRDDRELGSA-N 2 2 285.366 3.416 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001322523211 934310567 /nfs/dbraw/zinc/31/05/67/934310567.db2.gz QFGQMMREFOHIDG-GXTWGEPZSA-N 2 2 298.390 3.341 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001324158427 934467660 /nfs/dbraw/zinc/46/76/60/934467660.db2.gz LWVHTRMYKMUVBX-WCQYABFASA-N 2 2 289.810 3.141 20 0 CGADLP CCC[C@@H](CC)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001329792856 935246547 /nfs/dbraw/zinc/24/65/47/935246547.db2.gz MQHLCWUHRAPWIY-CYBMUJFWSA-N 2 2 286.379 3.341 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126730 936086537 /nfs/dbraw/zinc/08/65/37/936086537.db2.gz RLLRYAFJDUJIJW-LSDHHAIUSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126730 936086540 /nfs/dbraw/zinc/08/65/40/936086540.db2.gz RLLRYAFJDUJIJW-LSDHHAIUSA-N 2 2 286.423 3.091 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001336856937 936223007 /nfs/dbraw/zinc/22/30/07/936223007.db2.gz FRVXBHTTYUITPO-QGZVFWFLSA-N 2 2 288.410 3.373 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCSCc1ccccc1 ZINC001473787942 937821586 /nfs/dbraw/zinc/82/15/86/937821586.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCSCc1ccccc1 ZINC001473787942 937821587 /nfs/dbraw/zinc/82/15/87/937821587.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCSCc1ccccc1 ZINC001473787942 937821589 /nfs/dbraw/zinc/82/15/89/937821589.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCSCc1ccccc1 ZINC001473787942 937821591 /nfs/dbraw/zinc/82/15/91/937821591.db2.gz FIMSTVLNLPLVEO-DLBZAZTESA-N 2 2 290.476 3.088 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C(C)(C)C[NH+](C)C)cc1 ZINC001474565236 937867431 /nfs/dbraw/zinc/86/74/31/937867431.db2.gz RHBTUASZJPEBIQ-UHFFFAOYSA-N 2 2 262.441 3.282 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC001560199736 938246777 /nfs/dbraw/zinc/24/67/77/938246777.db2.gz BZFJHBAIQGBRNP-AWEZNQCLSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233134 938248427 /nfs/dbraw/zinc/24/84/27/938248427.db2.gz RWZBVJZWGKZDAC-ZBFHGGJFSA-N 2 2 275.440 3.426 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234707 938248481 /nfs/dbraw/zinc/24/84/81/938248481.db2.gz MZDDSDUZLIXROE-AWEZNQCLSA-N 2 2 263.429 3.474 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001560234707 938248482 /nfs/dbraw/zinc/24/84/82/938248482.db2.gz MZDDSDUZLIXROE-AWEZNQCLSA-N 2 2 263.429 3.474 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001560284444 938250891 /nfs/dbraw/zinc/25/08/91/938250891.db2.gz ULIPZWYRUFEAIS-UHFFFAOYSA-N 2 2 299.418 3.225 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001560549470 938262600 /nfs/dbraw/zinc/26/26/00/938262600.db2.gz GBSXQFINOTYXRQ-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001560549470 938262601 /nfs/dbraw/zinc/26/26/01/938262601.db2.gz GBSXQFINOTYXRQ-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001560610497 938265426 /nfs/dbraw/zinc/26/54/26/938265426.db2.gz XVUYOGFAEXUHEB-KRWDZBQOSA-N 2 2 299.418 3.310 20 0 CGADLP C[NH+](C)CCC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001560648148 938268229 /nfs/dbraw/zinc/26/82/29/938268229.db2.gz KSSDHFVVXAAJIQ-UHFFFAOYSA-N 2 2 299.821 3.038 20 0 CGADLP CC(C)CCCC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001560808258 938277051 /nfs/dbraw/zinc/27/70/51/938277051.db2.gz VDCRBYHTKGUPJJ-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001560808258 938277052 /nfs/dbraw/zinc/27/70/52/938277052.db2.gz VDCRBYHTKGUPJJ-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[NH2+]CC[NH2+]C/C=C/c1cc(C)c(C)cc1C ZINC001577559588 960481473 /nfs/dbraw/zinc/48/14/73/960481473.db2.gz CIFZSBOXMGLFIH-VOTSOKGWSA-N 2 2 260.425 3.214 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC001578220425 962571734 /nfs/dbraw/zinc/57/17/34/962571734.db2.gz HFZBHPBFLTUUPX-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC001578220425 962571738 /nfs/dbraw/zinc/57/17/38/962571738.db2.gz HFZBHPBFLTUUPX-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001578194332 962571903 /nfs/dbraw/zinc/57/19/03/962571903.db2.gz MPHIAIVJJUUIGS-QWHCGFSZSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001578194332 962571908 /nfs/dbraw/zinc/57/19/08/962571908.db2.gz MPHIAIVJJUUIGS-QWHCGFSZSA-N 2 2 296.842 3.155 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC(C)(C)C[NH2+]3)[nH]c2c1 ZINC001579740847 962662075 /nfs/dbraw/zinc/66/20/75/962662075.db2.gz XJPMFBDJRBVQOL-HNNXBMFYSA-N 2 2 285.435 3.344 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1F ZINC001580030454 962688500 /nfs/dbraw/zinc/68/85/00/962688500.db2.gz MZQMAXJUDDLFBC-MJSXRHKHSA-N 2 2 292.373 3.242 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337387278 214046850 /nfs/dbraw/zinc/04/68/50/214046850.db2.gz LVGUCTRFVANGBY-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337387278 214046853 /nfs/dbraw/zinc/04/68/53/214046853.db2.gz LVGUCTRFVANGBY-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(F)c1F ZINC000423503079 289996421 /nfs/dbraw/zinc/99/64/21/289996421.db2.gz MLBVVAKKCDTXDB-HZMBPMFUSA-N 2 2 268.351 3.133 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261530 349484668 /nfs/dbraw/zinc/48/46/68/349484668.db2.gz TYZSGHOECQLINT-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261530 349484672 /nfs/dbraw/zinc/48/46/72/349484672.db2.gz TYZSGHOECQLINT-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261530 349484676 /nfs/dbraw/zinc/48/46/76/349484676.db2.gz TYZSGHOECQLINT-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261530 349484678 /nfs/dbraw/zinc/48/46/78/349484678.db2.gz TYZSGHOECQLINT-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125194359 187174304 /nfs/dbraw/zinc/17/43/04/187174304.db2.gz OXGVYKPJNNSHDU-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000125194359 187174305 /nfs/dbraw/zinc/17/43/05/187174305.db2.gz OXGVYKPJNNSHDU-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000474057878 282131269 /nfs/dbraw/zinc/13/12/69/282131269.db2.gz NKCMUMQXARCPLB-ZWKOTPCHSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693943 398270432 /nfs/dbraw/zinc/27/04/32/398270432.db2.gz JXKCPZIBGHWWGH-GWCFXTLKSA-N 2 2 284.806 3.396 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000621734527 349573744 /nfs/dbraw/zinc/57/37/44/349573744.db2.gz OYMDAZLYURDLDB-CVEARBPZSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000621734527 349573745 /nfs/dbraw/zinc/57/37/45/349573745.db2.gz OYMDAZLYURDLDB-CVEARBPZSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651708631 398272526 /nfs/dbraw/zinc/27/25/26/398272526.db2.gz XFWWHHDOFIHSES-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651708631 398272528 /nfs/dbraw/zinc/27/25/28/398272528.db2.gz XFWWHHDOFIHSES-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797183 398289212 /nfs/dbraw/zinc/28/92/12/398289212.db2.gz BYIZEZBYIWSVIT-ZFWWWQNUSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000337986817 214345746 /nfs/dbraw/zinc/34/57/46/214345746.db2.gz JCDFMJPQIFXROE-BZUAXINKSA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000337986817 214345748 /nfs/dbraw/zinc/34/57/48/214345748.db2.gz JCDFMJPQIFXROE-BZUAXINKSA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000337986818 214346476 /nfs/dbraw/zinc/34/64/76/214346476.db2.gz JCDFMJPQIFXROE-OAGGEKHMSA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000337986818 214346478 /nfs/dbraw/zinc/34/64/78/214346478.db2.gz JCDFMJPQIFXROE-OAGGEKHMSA-N 2 2 270.436 3.226 20 0 CGADLP CC[C@H](F)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000440786581 529435748 /nfs/dbraw/zinc/43/57/48/529435748.db2.gz SNAWNELUOGZGMP-INIZCTEOSA-N 2 2 293.430 3.368 20 0 CGADLP CC[C@H](F)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000440786581 529435751 /nfs/dbraw/zinc/43/57/51/529435751.db2.gz SNAWNELUOGZGMP-INIZCTEOSA-N 2 2 293.430 3.368 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436679 529430847 /nfs/dbraw/zinc/43/08/47/529430847.db2.gz HACXFTIHKQUSCW-MRXNPFEDSA-N 2 2 283.419 3.330 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423274104 529501388 /nfs/dbraw/zinc/50/13/88/529501388.db2.gz JVYSMOJQUAQBIA-IAQYHMDHSA-N 2 2 272.392 3.383 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089029 349758976 /nfs/dbraw/zinc/75/89/76/349758976.db2.gz RHIMASUGMOLVRH-GXTWGEPZSA-N 2 2 274.399 3.132 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000414066174 529632299 /nfs/dbraw/zinc/63/22/99/529632299.db2.gz PILYAOOPLAGZHK-WBAXXEDZSA-N 2 2 283.419 3.456 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000355385264 282207682 /nfs/dbraw/zinc/20/76/82/282207682.db2.gz SDUDCMLBTBCRKC-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000355385264 282207683 /nfs/dbraw/zinc/20/76/83/282207683.db2.gz SDUDCMLBTBCRKC-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cncs1 ZINC000423516493 529617173 /nfs/dbraw/zinc/61/71/73/529617173.db2.gz XVUIDOBFVVUZMM-BXUZGUMPSA-N 2 2 275.421 3.056 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)c1ccncc1 ZINC000423507111 529617726 /nfs/dbraw/zinc/61/77/26/529617726.db2.gz PQLVAWHDLRCSRD-QZTJIDSGSA-N 2 2 283.419 3.385 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425944395 529617898 /nfs/dbraw/zinc/61/78/98/529617898.db2.gz WZEDNXVFIYUTSD-NHYWBVRUSA-N 2 2 270.367 3.203 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1F ZINC000423363361 529661470 /nfs/dbraw/zinc/66/14/70/529661470.db2.gz NYXYCNMACIUVNN-NZVBXONLSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000427893185 529662177 /nfs/dbraw/zinc/66/21/77/529662177.db2.gz HRIXGTVMRSWIOO-CABCVRRESA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000427893987 529672715 /nfs/dbraw/zinc/67/27/15/529672715.db2.gz PXGAHXNWMJETEU-WFASDCNBSA-N 2 2 291.345 3.217 20 0 CGADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cn1 ZINC000359055731 529681179 /nfs/dbraw/zinc/68/11/79/529681179.db2.gz NWRICJQDHLMVPN-UYSNPLJNSA-N 2 2 291.414 3.278 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000126488477 187242798 /nfs/dbraw/zinc/24/27/98/187242798.db2.gz WLSMPXNYGVXHRG-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000591709761 346933814 /nfs/dbraw/zinc/93/38/14/346933814.db2.gz SEUFEJWPKJWXDF-ZBFHGGJFSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000591709761 346933817 /nfs/dbraw/zinc/93/38/17/346933817.db2.gz SEUFEJWPKJWXDF-ZBFHGGJFSA-N 2 2 260.425 3.458 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)o1 ZINC000423252953 529706714 /nfs/dbraw/zinc/70/67/14/529706714.db2.gz YILPBAWUYXNUGR-DOMZBBRYSA-N 2 2 258.365 3.193 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868025 346944197 /nfs/dbraw/zinc/94/41/97/346944197.db2.gz VTXVLAZRNDDCSM-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868025 346944200 /nfs/dbraw/zinc/94/42/00/346944200.db2.gz VTXVLAZRNDDCSM-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000423252579 529729741 /nfs/dbraw/zinc/72/97/41/529729741.db2.gz XRBMSEYWQSCIJZ-SMDDNHRTSA-N 2 2 289.448 3.365 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503133 349822256 /nfs/dbraw/zinc/82/22/56/349822256.db2.gz NDKQLSVYDGABBB-IUODEOHRSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503133 349822259 /nfs/dbraw/zinc/82/22/59/349822259.db2.gz NDKQLSVYDGABBB-IUODEOHRSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC000425985932 529823584 /nfs/dbraw/zinc/82/35/84/529823584.db2.gz BEUVLUCKIFAINY-TXEJJXNPSA-N 2 2 290.794 3.080 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC000425985932 529823585 /nfs/dbraw/zinc/82/35/85/529823585.db2.gz BEUVLUCKIFAINY-TXEJJXNPSA-N 2 2 290.794 3.080 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC000425985932 529823587 /nfs/dbraw/zinc/82/35/87/529823587.db2.gz BEUVLUCKIFAINY-TXEJJXNPSA-N 2 2 290.794 3.080 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(Cl)oc4ccccc43)C[C@@H]2C1 ZINC000425985932 529823588 /nfs/dbraw/zinc/82/35/88/529823588.db2.gz BEUVLUCKIFAINY-TXEJJXNPSA-N 2 2 290.794 3.080 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2csc(C(F)(F)F)c2)n1C ZINC000623777832 349882578 /nfs/dbraw/zinc/88/25/78/349882578.db2.gz TVRPOEDTMOEXGS-UHFFFAOYSA-N 2 2 289.326 3.099 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623888789 349906515 /nfs/dbraw/zinc/90/65/15/349906515.db2.gz UUHOIYJYFHKSIR-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623888789 349906517 /nfs/dbraw/zinc/90/65/17/349906517.db2.gz UUHOIYJYFHKSIR-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP C[NH2+]CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423198796 529970923 /nfs/dbraw/zinc/97/09/23/529970923.db2.gz HZHBHAFHNLKNBE-UHFFFAOYSA-N 2 2 290.357 3.253 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423227230 529978652 /nfs/dbraw/zinc/97/86/52/529978652.db2.gz UZLNLLPYZPFRDT-LBPRGKRZSA-N 2 2 268.360 3.456 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423250557 529978743 /nfs/dbraw/zinc/97/87/43/529978743.db2.gz ULRVKXHHJOWLPP-AWEZNQCLSA-N 2 2 294.851 3.494 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000423224585 529978896 /nfs/dbraw/zinc/97/88/96/529978896.db2.gz JKCHVKIPAXJVCX-MRXNPFEDSA-N 2 2 298.430 3.444 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000351606018 219143123 /nfs/dbraw/zinc/14/31/23/219143123.db2.gz ANPFRHAJYMDXKX-MSOLQXFVSA-N 2 2 270.420 3.138 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000351606018 219143125 /nfs/dbraw/zinc/14/31/25/219143125.db2.gz ANPFRHAJYMDXKX-MSOLQXFVSA-N 2 2 270.420 3.138 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154141935 530063844 /nfs/dbraw/zinc/06/38/44/530063844.db2.gz QMVNQYMJJBKUEQ-BCLQGDPASA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154141935 530063845 /nfs/dbraw/zinc/06/38/45/530063845.db2.gz QMVNQYMJJBKUEQ-BCLQGDPASA-N 2 2 278.827 3.270 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000040418836 344962562 /nfs/dbraw/zinc/96/25/62/344962562.db2.gz YCSZZWGYJOLUGF-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000040671646 344965072 /nfs/dbraw/zinc/96/50/72/344965072.db2.gz XAEYRUXRZXHZNF-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000040671646 344965076 /nfs/dbraw/zinc/96/50/76/344965076.db2.gz XAEYRUXRZXHZNF-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1cc(C)c(C[NH2+]CCCCn2cc[nH+]c2)cc1C ZINC000044353310 345009602 /nfs/dbraw/zinc/00/96/02/345009602.db2.gz PMWJPPQKZFMCOY-UHFFFAOYSA-N 2 2 271.408 3.378 20 0 CGADLP c1coc([C@H](CNc2cccc[nH+]2)[NH+]2CCCCC2)c1 ZINC000067949188 345338919 /nfs/dbraw/zinc/33/89/19/345338919.db2.gz NLQLDAOTENZKDH-AWEZNQCLSA-N 2 2 271.364 3.314 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)on1 ZINC000072974862 345425064 /nfs/dbraw/zinc/42/50/64/345425064.db2.gz LCWFZWAJDSIBOI-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)on1 ZINC000072974862 345425065 /nfs/dbraw/zinc/42/50/65/345425065.db2.gz LCWFZWAJDSIBOI-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)on1 ZINC000072974862 345425071 /nfs/dbraw/zinc/42/50/71/345425071.db2.gz LCWFZWAJDSIBOI-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)on1 ZINC000072974862 345425073 /nfs/dbraw/zinc/42/50/73/345425073.db2.gz LCWFZWAJDSIBOI-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961375 345692806 /nfs/dbraw/zinc/69/28/06/345692806.db2.gz NHTSVLUHFBGPPR-ZFWWWQNUSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961375 345692808 /nfs/dbraw/zinc/69/28/08/345692808.db2.gz NHTSVLUHFBGPPR-ZFWWWQNUSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157194797 232231889 /nfs/dbraw/zinc/23/18/89/232231889.db2.gz TWCNZILOUBQVER-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP Cc1cccn2cc(CNc3[nH]c4ccccc4[nH+]3)[nH+]c12 ZINC000091628393 345819266 /nfs/dbraw/zinc/81/92/66/345819266.db2.gz DELVEXKKQASNTB-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000090847408 345796530 /nfs/dbraw/zinc/79/65/30/345796530.db2.gz PLNMPPWLKNRXNI-KRWDZBQOSA-N 2 2 282.387 3.218 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073822 345830345 /nfs/dbraw/zinc/83/03/45/345830345.db2.gz FRSVBEYYYXIJFQ-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073822 345830347 /nfs/dbraw/zinc/83/03/47/345830347.db2.gz FRSVBEYYYXIJFQ-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093866107 345890533 /nfs/dbraw/zinc/89/05/33/345890533.db2.gz NCPRCBZWYQALDL-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093866107 345890537 /nfs/dbraw/zinc/89/05/37/345890537.db2.gz NCPRCBZWYQALDL-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Clc1csc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000093094961 345869180 /nfs/dbraw/zinc/86/91/80/345869180.db2.gz SABVFHQJBOPGMH-UHFFFAOYSA-N 2 2 269.801 3.168 20 0 CGADLP CCc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683361 345885464 /nfs/dbraw/zinc/88/54/64/345885464.db2.gz PKHBZKPTRMHHCA-AWEZNQCLSA-N 2 2 293.480 3.013 20 0 CGADLP CCc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683361 345885467 /nfs/dbraw/zinc/88/54/67/345885467.db2.gz PKHBZKPTRMHHCA-AWEZNQCLSA-N 2 2 293.480 3.013 20 0 CGADLP COc1ccc(F)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000351660267 219167532 /nfs/dbraw/zinc/16/75/32/219167532.db2.gz XQVQMRKYEWDHTG-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1cccc([C@H]([NH2+]CC2([NH+](C)C)CC2)C(C)C)c1 ZINC000624001403 349941640 /nfs/dbraw/zinc/94/16/40/349941640.db2.gz AEGUICAZJQPQBE-MRXNPFEDSA-N 2 2 260.425 3.376 20 0 CGADLP COc1ccc(F)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000351660267 219167534 /nfs/dbraw/zinc/16/75/34/219167534.db2.gz XQVQMRKYEWDHTG-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000351660267 219167536 /nfs/dbraw/zinc/16/75/36/219167536.db2.gz XQVQMRKYEWDHTG-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000351660267 219167539 /nfs/dbraw/zinc/16/75/39/219167539.db2.gz XQVQMRKYEWDHTG-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP Clc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000144737053 346118849 /nfs/dbraw/zinc/11/88/49/346118849.db2.gz SSNQTQGUIJZMTF-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051495 346157121 /nfs/dbraw/zinc/15/71/21/346157121.db2.gz GWXNFVLLKXBQNR-JOYOIKCWSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051495 346157123 /nfs/dbraw/zinc/15/71/23/346157123.db2.gz GWXNFVLLKXBQNR-JOYOIKCWSA-N 2 2 290.304 3.156 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000235707878 346336836 /nfs/dbraw/zinc/33/68/36/346336836.db2.gz POOJGKAPPRFYDP-JSGCOSHPSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000235707878 346336840 /nfs/dbraw/zinc/33/68/40/346336840.db2.gz POOJGKAPPRFYDP-JSGCOSHPSA-N 2 2 266.816 3.221 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000624077935 349965144 /nfs/dbraw/zinc/96/51/44/349965144.db2.gz HZZFMMYLZQPRLX-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000624077935 349965146 /nfs/dbraw/zinc/96/51/46/349965146.db2.gz HZZFMMYLZQPRLX-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP C([NH2+][C@H]1CCCSCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078213 349965589 /nfs/dbraw/zinc/96/55/89/349965589.db2.gz ZKDMEOPMYZCLGB-HOCLYGCPSA-N 2 2 282.497 3.269 20 0 CGADLP C([NH2+][C@H]1CCCSCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624078213 349965593 /nfs/dbraw/zinc/96/55/93/349965593.db2.gz ZKDMEOPMYZCLGB-HOCLYGCPSA-N 2 2 282.497 3.269 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000624101101 349970656 /nfs/dbraw/zinc/97/06/56/349970656.db2.gz JLZMSWTYBRFFCD-IXDOHACOSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000624101101 349970658 /nfs/dbraw/zinc/97/06/58/349970658.db2.gz JLZMSWTYBRFFCD-IXDOHACOSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1sccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000339227469 215026008 /nfs/dbraw/zinc/02/60/08/215026008.db2.gz WJSHRUMJAMYKMC-UHFFFAOYSA-N 2 2 275.421 3.433 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130981 346572855 /nfs/dbraw/zinc/57/28/55/346572855.db2.gz FDGKNXXJBBZGBC-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130981 346572860 /nfs/dbraw/zinc/57/28/60/346572860.db2.gz FDGKNXXJBBZGBC-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP CCSC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000594986561 347249582 /nfs/dbraw/zinc/24/95/82/347249582.db2.gz GNJRPLRVJMRVCW-UHFFFAOYSA-N 2 2 275.421 3.018 20 0 CGADLP CSC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000597207576 347554212 /nfs/dbraw/zinc/55/42/12/347554212.db2.gz FFLYUYFHKKNUGE-AWEZNQCLSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000597207576 347554214 /nfs/dbraw/zinc/55/42/14/347554214.db2.gz FFLYUYFHKKNUGE-AWEZNQCLSA-N 2 2 282.497 3.269 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383626 348117256 /nfs/dbraw/zinc/11/72/56/348117256.db2.gz KAYHTRPDFMNNOC-SFHVURJKSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383626 348117257 /nfs/dbraw/zinc/11/72/57/348117257.db2.gz KAYHTRPDFMNNOC-SFHVURJKSA-N 2 2 272.436 3.138 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Cl)C2)C1 ZINC000339433405 215168367 /nfs/dbraw/zinc/16/83/67/215168367.db2.gz QZFWXNQUIOQMQG-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3Cl)C2)C1 ZINC000339433405 215168368 /nfs/dbraw/zinc/16/83/68/215168368.db2.gz QZFWXNQUIOQMQG-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000339433405 215168371 /nfs/dbraw/zinc/16/83/71/215168371.db2.gz QZFWXNQUIOQMQG-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000339433405 215168373 /nfs/dbraw/zinc/16/83/73/215168373.db2.gz QZFWXNQUIOQMQG-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1ccc2[nH+]ccc(NCCNc3cccc[nH+]3)c2c1 ZINC000358879173 233208509 /nfs/dbraw/zinc/20/85/09/233208509.db2.gz KIWZMBFDMNETAD-UHFFFAOYSA-N 2 2 298.777 3.229 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccsc1 ZINC000619231389 349224772 /nfs/dbraw/zinc/22/47/72/349224772.db2.gz MPDJSJPVONGCDW-UHFFFAOYSA-N 2 2 252.427 3.056 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccsc1 ZINC000619231389 349224774 /nfs/dbraw/zinc/22/47/74/349224774.db2.gz MPDJSJPVONGCDW-UHFFFAOYSA-N 2 2 252.427 3.056 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CC[N@@H+]3C3CCCC3)c2c1C ZINC000624639609 350072865 /nfs/dbraw/zinc/07/28/65/350072865.db2.gz MSGQQKINTCTJDA-AWEZNQCLSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CC[N@H+]3C3CCCC3)c2c1C ZINC000624639609 350072867 /nfs/dbraw/zinc/07/28/67/350072867.db2.gz MSGQQKINTCTJDA-AWEZNQCLSA-N 2 2 299.422 3.004 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255151 350147787 /nfs/dbraw/zinc/14/77/87/350147787.db2.gz MJUARSXZECEDFG-MLGOLLRUSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255151 350147788 /nfs/dbraw/zinc/14/77/88/350147788.db2.gz MJUARSXZECEDFG-MLGOLLRUSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255151 350147789 /nfs/dbraw/zinc/14/77/89/350147789.db2.gz MJUARSXZECEDFG-MLGOLLRUSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255151 350147790 /nfs/dbraw/zinc/14/77/90/350147790.db2.gz MJUARSXZECEDFG-MLGOLLRUSA-N 2 2 296.842 3.208 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435928 350171063 /nfs/dbraw/zinc/17/10/63/350171063.db2.gz YSVJRMDUMXDNCF-UHFFFAOYSA-N 2 2 284.407 3.049 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435928 350171064 /nfs/dbraw/zinc/17/10/64/350171064.db2.gz YSVJRMDUMXDNCF-UHFFFAOYSA-N 2 2 284.407 3.049 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1F ZINC000625658420 350193406 /nfs/dbraw/zinc/19/34/06/350193406.db2.gz YYISUDZIGHMBEF-CQSZACIVSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCC2 ZINC000271311067 191066465 /nfs/dbraw/zinc/06/64/65/191066465.db2.gz HZIYSSARLUSIMO-OAHLLOKOSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCC2 ZINC000271311067 191066468 /nfs/dbraw/zinc/06/64/68/191066468.db2.gz HZIYSSARLUSIMO-OAHLLOKOSA-N 2 2 296.418 3.279 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625772564 350211515 /nfs/dbraw/zinc/21/15/15/350211515.db2.gz DMYPCKAMRLLWJB-KGLIPLIRSA-N 2 2 287.432 3.113 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625772564 350211516 /nfs/dbraw/zinc/21/15/16/350211516.db2.gz DMYPCKAMRLLWJB-KGLIPLIRSA-N 2 2 287.432 3.113 20 0 CGADLP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)[N@@H+]1CCCC[C@H]1C ZINC000628202429 350437942 /nfs/dbraw/zinc/43/79/42/350437942.db2.gz UCBXYQQWHASADP-ILXRZTDVSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)[N@H+]1CCCC[C@H]1C ZINC000628202429 350437945 /nfs/dbraw/zinc/43/79/45/350437945.db2.gz UCBXYQQWHASADP-ILXRZTDVSA-N 2 2 270.486 3.125 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)[nH]1 ZINC000628157716 350414906 /nfs/dbraw/zinc/41/49/06/350414906.db2.gz RMDHZJOVLAYCQS-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP c1[nH]nc2cccc(C[N@@H+]3CCCC[C@H]([NH+]4CCCC4)C3)c12 ZINC000628161159 350416513 /nfs/dbraw/zinc/41/65/13/350416513.db2.gz UDPFZATXVZXHHO-INIZCTEOSA-N 2 2 298.434 3.013 20 0 CGADLP c1[nH]nc2cccc(C[N@H+]3CCCC[C@H]([NH+]4CCCC4)C3)c12 ZINC000628161159 350416516 /nfs/dbraw/zinc/41/65/16/350416516.db2.gz UDPFZATXVZXHHO-INIZCTEOSA-N 2 2 298.434 3.013 20 0 CGADLP CC(C)(C)[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371671 350518361 /nfs/dbraw/zinc/51/83/61/350518361.db2.gz WGWAJBNTPPOPDD-UHFFFAOYSA-N 2 2 261.413 3.197 20 0 CGADLP C/C=C\C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495346 350560958 /nfs/dbraw/zinc/56/09/58/350560958.db2.gz OORSAJCMTDNHJJ-SFAKSCPVSA-N 2 2 259.397 3.008 20 0 CGADLP C/C=C\C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495346 350560961 /nfs/dbraw/zinc/56/09/61/350560961.db2.gz OORSAJCMTDNHJJ-SFAKSCPVSA-N 2 2 259.397 3.008 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000629526982 350702243 /nfs/dbraw/zinc/70/22/43/350702243.db2.gz GVKLCICBYVNUNY-SOUVJXGZSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cnc2ccsc2c1 ZINC000629539121 350706646 /nfs/dbraw/zinc/70/66/46/350706646.db2.gz MUWKOMPUKKSZPO-WZRBSPASSA-N 2 2 275.421 3.087 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2s1 ZINC000629546593 350710565 /nfs/dbraw/zinc/71/05/65/350710565.db2.gz UAAXTTMLXSYOKJ-DMDPSCGWSA-N 2 2 260.406 3.302 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000629391155 350687771 /nfs/dbraw/zinc/68/77/71/350687771.db2.gz WYEHNCNNDRGTHW-UONOGXRCSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C[NH2+]1 ZINC000629412043 350690869 /nfs/dbraw/zinc/69/08/69/350690869.db2.gz JZAIMMFHVTXLDI-XHDPSFHLSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@H]([NH3+])c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710912 350749571 /nfs/dbraw/zinc/74/95/71/350749571.db2.gz YKUSOYWBFAUPCX-ZDUSSCGKSA-N 2 2 267.376 3.369 20 0 CGADLP [NH3+][C@H]1CCc2c1cccc2-c1ccc(N2CCCC2)[nH+]c1 ZINC000629710326 350749577 /nfs/dbraw/zinc/74/95/77/350749577.db2.gz QKEJJKYABSDXQD-KRWDZBQOSA-N 2 2 279.387 3.295 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000629652694 350731534 /nfs/dbraw/zinc/73/15/34/350731534.db2.gz AKRNZDLKULSIGV-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000629652694 350731536 /nfs/dbraw/zinc/73/15/36/350731536.db2.gz AKRNZDLKULSIGV-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631666170 351110772 /nfs/dbraw/zinc/11/07/72/351110772.db2.gz COFVIBFLNRPQBP-GDBMZVCRSA-N 2 2 287.407 3.074 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCCc3ncccc32)[nH+]c1 ZINC000631574980 351073131 /nfs/dbraw/zinc/07/31/31/351073131.db2.gz IYNLAAXFNCPILD-INIZCTEOSA-N 2 2 296.418 3.336 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890233 351153209 /nfs/dbraw/zinc/15/32/09/351153209.db2.gz PZVFTSYCFHBOTE-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890233 351153211 /nfs/dbraw/zinc/15/32/11/351153211.db2.gz PZVFTSYCFHBOTE-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)CC12CC(C1)C[NH2+]2 ZINC000634991617 351619147 /nfs/dbraw/zinc/61/91/47/351619147.db2.gz LMBUPNWMMQQPQO-UHFFFAOYSA-N 2 2 266.388 3.024 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)CC12CC(C1)C[NH2+]2 ZINC000634991617 351619149 /nfs/dbraw/zinc/61/91/49/351619149.db2.gz LMBUPNWMMQQPQO-UHFFFAOYSA-N 2 2 266.388 3.024 20 0 CGADLP CC[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1c1ccccc1 ZINC000634993597 351619531 /nfs/dbraw/zinc/61/95/31/351619531.db2.gz ZJTCQVYXVCYGJS-DPCKTDSQSA-N 2 2 284.447 3.254 20 0 CGADLP CC[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1c1ccccc1 ZINC000634993597 351619535 /nfs/dbraw/zinc/61/95/35/351619535.db2.gz ZJTCQVYXVCYGJS-DPCKTDSQSA-N 2 2 284.447 3.254 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992893 351619758 /nfs/dbraw/zinc/61/97/58/351619758.db2.gz FJJMYQKRBWYMJU-FUJMWEONSA-N 2 2 293.480 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992893 351619763 /nfs/dbraw/zinc/61/97/63/351619763.db2.gz FJJMYQKRBWYMJU-FUJMWEONSA-N 2 2 293.480 3.320 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000634997745 351620694 /nfs/dbraw/zinc/62/06/94/351620694.db2.gz RLWFKWQUSRXCRZ-AJQRCPHMSA-N 2 2 276.811 3.059 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)c2ccccc21 ZINC000131901804 187595233 /nfs/dbraw/zinc/59/52/33/187595233.db2.gz PSKUTSRDQWLSRM-HZPDHXFCSA-N 2 2 256.324 3.060 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000132181920 187612758 /nfs/dbraw/zinc/61/27/58/187612758.db2.gz KSURZYWOJDCXHM-GFCCVEGCSA-N 2 2 252.402 3.080 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000365631414 234118693 /nfs/dbraw/zinc/11/86/93/234118693.db2.gz QSBMTGLSMUKBJQ-LBPRGKRZSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000365631414 234118695 /nfs/dbraw/zinc/11/86/95/234118695.db2.gz QSBMTGLSMUKBJQ-LBPRGKRZSA-N 2 2 291.345 3.078 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100888 198163091 /nfs/dbraw/zinc/16/30/91/198163091.db2.gz HYRGWGBYCXGMLX-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100888 198163093 /nfs/dbraw/zinc/16/30/93/198163093.db2.gz HYRGWGBYCXGMLX-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100888 198163094 /nfs/dbraw/zinc/16/30/94/198163094.db2.gz HYRGWGBYCXGMLX-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100888 198163095 /nfs/dbraw/zinc/16/30/95/198163095.db2.gz HYRGWGBYCXGMLX-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000366229310 234157063 /nfs/dbraw/zinc/15/70/63/234157063.db2.gz IDHGSEATBYYSPA-KGLIPLIRSA-N 2 2 273.380 3.321 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000367307721 234204084 /nfs/dbraw/zinc/20/40/84/234204084.db2.gz KQWTZMZUABFMMC-IBGZPJMESA-N 2 2 295.430 3.099 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103748 234282844 /nfs/dbraw/zinc/28/28/44/234282844.db2.gz YJZVTBUQCZUGKE-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103748 234282850 /nfs/dbraw/zinc/28/28/50/234282850.db2.gz YJZVTBUQCZUGKE-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368099582 234281236 /nfs/dbraw/zinc/28/12/36/234281236.db2.gz GFKJXPBKTRMDEI-GJYPPUQNSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368099582 234281240 /nfs/dbraw/zinc/28/12/40/234281240.db2.gz GFKJXPBKTRMDEI-GJYPPUQNSA-N 2 2 295.430 3.367 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1F ZINC000155677753 188221358 /nfs/dbraw/zinc/22/13/58/188221358.db2.gz MQGLZZMEWAZNRT-LLVKDONJSA-N 2 2 279.384 3.095 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000155726731 188224406 /nfs/dbraw/zinc/22/44/06/188224406.db2.gz KIHCHSIGISWCMR-QGZVFWFLSA-N 2 2 271.408 3.130 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccncc1 ZINC000156505152 188265832 /nfs/dbraw/zinc/26/58/32/188265832.db2.gz VUHCLRIAYWWIEW-CYBMUJFWSA-N 2 2 280.375 3.241 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccncc2)[NH+](C)C)cc1 ZINC000156530213 188267472 /nfs/dbraw/zinc/26/74/72/188267472.db2.gz DUFVVDMFVRQRQU-YJBOKZPZSA-N 2 2 283.419 3.344 20 0 CGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292661753 198366976 /nfs/dbraw/zinc/36/69/76/198366976.db2.gz IQQTZNJLQVQPRJ-CQSZACIVSA-N 2 2 279.334 3.178 20 0 CGADLP CCCc1nc(C)c(C[NH2+]CCCc2c[nH+]ccc2C)o1 ZINC000292701309 198381851 /nfs/dbraw/zinc/38/18/51/198381851.db2.gz CJSWRSSLZREJHL-UHFFFAOYSA-N 2 2 287.407 3.361 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397570 235053310 /nfs/dbraw/zinc/05/33/10/235053310.db2.gz ZAYXUPDMMNIYTR-BPUTZDHNSA-N 2 2 285.366 3.284 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397570 235053315 /nfs/dbraw/zinc/05/33/15/235053315.db2.gz ZAYXUPDMMNIYTR-BPUTZDHNSA-N 2 2 285.366 3.284 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000414085750 235332529 /nfs/dbraw/zinc/33/25/29/235332529.db2.gz YTUJMVLPHHSGKR-JHNDHUHGSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000414085752 235332886 /nfs/dbraw/zinc/33/28/86/235332886.db2.gz YTUJMVLPHHSGKR-SRABZTEZSA-N 2 2 260.425 3.232 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414193517 235360058 /nfs/dbraw/zinc/36/00/58/235360058.db2.gz IERYAOXOIZVOJI-LSDHHAIUSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337824 235390945 /nfs/dbraw/zinc/39/09/45/235390945.db2.gz LCLVFAKBPGYLHW-DZOHQFGASA-N 2 2 296.414 3.246 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337824 235390947 /nfs/dbraw/zinc/39/09/47/235390947.db2.gz LCLVFAKBPGYLHW-DZOHQFGASA-N 2 2 296.414 3.246 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000346951181 291082170 /nfs/dbraw/zinc/08/21/70/291082170.db2.gz XGLXZMCIWPCNFB-DOTOQJQBSA-N 2 2 284.447 3.367 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000346951181 291082174 /nfs/dbraw/zinc/08/21/74/291082174.db2.gz XGLXZMCIWPCNFB-DOTOQJQBSA-N 2 2 284.447 3.367 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868682 138355658 /nfs/dbraw/zinc/35/56/58/138355658.db2.gz FTTCMUVPRALRSZ-NWDGAFQWSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868682 138355660 /nfs/dbraw/zinc/35/56/60/138355660.db2.gz FTTCMUVPRALRSZ-NWDGAFQWSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123745272 138370040 /nfs/dbraw/zinc/37/00/40/138370040.db2.gz MGEGEIPHKXIWRS-HZPDHXFCSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123745272 138370042 /nfs/dbraw/zinc/37/00/42/138370042.db2.gz MGEGEIPHKXIWRS-HZPDHXFCSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000125346904 138381693 /nfs/dbraw/zinc/38/16/93/138381693.db2.gz SVHCJPJWOVWZEZ-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000125346904 138381694 /nfs/dbraw/zinc/38/16/94/138381694.db2.gz SVHCJPJWOVWZEZ-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000482139295 535358077 /nfs/dbraw/zinc/35/80/77/535358077.db2.gz FJAHLUOJARDBFC-QGZVFWFLSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000482139295 535358081 /nfs/dbraw/zinc/35/80/81/535358081.db2.gz FJAHLUOJARDBFC-QGZVFWFLSA-N 2 2 296.499 3.148 20 0 CGADLP Fc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423234874 236004507 /nfs/dbraw/zinc/00/45/07/236004507.db2.gz MJWRIYQRAOXYFL-MOPGFXCFSA-N 2 2 298.405 3.451 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H](C1CC1)C1CCCC1)c1ccccc1 ZINC000423239968 236006386 /nfs/dbraw/zinc/00/63/86/236006386.db2.gz BYFWEAFGTOLSPS-SJORKVTESA-N 2 2 258.409 3.245 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423251457 236009061 /nfs/dbraw/zinc/00/90/61/236009061.db2.gz WGKUFUAEWKUENW-KGLIPLIRSA-N 2 2 287.432 3.119 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316213 236035727 /nfs/dbraw/zinc/03/57/27/236035727.db2.gz ATJBTVIVCCYTTR-NEPJUHHUSA-N 2 2 289.448 3.040 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423359451 236048877 /nfs/dbraw/zinc/04/88/77/236048877.db2.gz KMSJTMJXLGALTQ-VCBZYWHSSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423357799 236048919 /nfs/dbraw/zinc/04/89/19/236048919.db2.gz ATJBTVIVCCYTTR-RYUDHWBXSA-N 2 2 289.448 3.040 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)cc1 ZINC000423362585 236050276 /nfs/dbraw/zinc/05/02/76/236050276.db2.gz NBANJGDZALHLQJ-QZTJIDSGSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423442244 236072190 /nfs/dbraw/zinc/07/21/90/236072190.db2.gz BLQLMUQLDJKTQT-IHRRRGAJSA-N 2 2 285.391 3.260 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)c2c1 ZINC000423451443 236073898 /nfs/dbraw/zinc/07/38/98/236073898.db2.gz VBTUZJPEJFDHOU-SRVKXCTJSA-N 2 2 276.380 3.136 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423571579 236098982 /nfs/dbraw/zinc/09/89/82/236098982.db2.gz XULKFJCRYGJROA-NWDGAFQWSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423915815 236112326 /nfs/dbraw/zinc/11/23/26/236112326.db2.gz WNEZJISGXMWGHL-STQMWFEESA-N 2 2 299.374 3.104 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379557 236158902 /nfs/dbraw/zinc/15/89/02/236158902.db2.gz VPMDCVXYJJDIHH-ZLKJLUDKSA-N 2 2 282.815 3.269 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000423318623 283390469 /nfs/dbraw/zinc/39/04/69/283390469.db2.gz ZDNXJOIFWRESNJ-INIZCTEOSA-N 2 2 276.424 3.106 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@@H]1c1ccccc1 ZINC000437104323 237251879 /nfs/dbraw/zinc/25/18/79/237251879.db2.gz DWVNZQGSNLMQJZ-BHYGNILZSA-N 2 2 272.436 3.253 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000297358899 200161473 /nfs/dbraw/zinc/16/14/73/200161473.db2.gz FPLYSCWFJRGAQX-OTWHNJEPSA-N 2 2 295.430 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000297358899 200161474 /nfs/dbraw/zinc/16/14/74/200161474.db2.gz FPLYSCWFJRGAQX-OTWHNJEPSA-N 2 2 295.430 3.231 20 0 CGADLP c1cc(NC2CC[NH+](C3CC3)CC2)[nH+]cc1C1CCC1 ZINC000297501364 200211250 /nfs/dbraw/zinc/21/12/50/200211250.db2.gz VADBCFIJEYSJAH-UHFFFAOYSA-N 2 2 271.408 3.388 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)[NH+](C)C ZINC000341797742 216107550 /nfs/dbraw/zinc/10/75/50/216107550.db2.gz LLNPCNCTSSTMFK-JTQLQIEISA-N 2 2 263.772 3.250 20 0 CGADLP Nc1cc(C[N@H+](Cc2ccco2)C2CCCC2)cc[nH+]1 ZINC000297846338 200290895 /nfs/dbraw/zinc/29/08/95/200290895.db2.gz KYLPDVBIXRPCEW-UHFFFAOYSA-N 2 2 271.364 3.202 20 0 CGADLP Nc1cc(C[N@@H+](Cc2ccco2)C2CCCC2)cc[nH+]1 ZINC000297846338 200290896 /nfs/dbraw/zinc/29/08/96/200290896.db2.gz KYLPDVBIXRPCEW-UHFFFAOYSA-N 2 2 271.364 3.202 20 0 CGADLP CC[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884843 216136716 /nfs/dbraw/zinc/13/67/16/216136716.db2.gz DMLKQDZAHTUYOE-WMZOPIPTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884843 216136719 /nfs/dbraw/zinc/13/67/19/216136719.db2.gz DMLKQDZAHTUYOE-WMZOPIPTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341884843 216136721 /nfs/dbraw/zinc/13/67/21/216136721.db2.gz DMLKQDZAHTUYOE-WMZOPIPTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341884843 216136725 /nfs/dbraw/zinc/13/67/25/216136725.db2.gz DMLKQDZAHTUYOE-WMZOPIPTSA-N 2 2 290.451 3.008 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000178748892 189142758 /nfs/dbraw/zinc/14/27/58/189142758.db2.gz NDNPGKHUTKDKQH-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000261566127 296022652 /nfs/dbraw/zinc/02/26/52/296022652.db2.gz DILSTUSTZMJCOC-HLTSFMKQSA-N 2 2 261.196 3.380 20 0 CGADLP COc1ccc2oc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2c1 ZINC000179297468 189184600 /nfs/dbraw/zinc/18/46/00/189184600.db2.gz LOGBCQKGRMKBDC-ZDUSSCGKSA-N 2 2 299.374 3.064 20 0 CGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000181702821 189304919 /nfs/dbraw/zinc/30/49/19/189304919.db2.gz SUCIVZXALAORRE-MRXNPFEDSA-N 2 2 287.407 3.269 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1F ZINC000182002779 189311861 /nfs/dbraw/zinc/31/18/61/189311861.db2.gz ZTBLQNOKDBVVAP-VXGBXAGGSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1F ZINC000182002779 189311862 /nfs/dbraw/zinc/31/18/62/189311862.db2.gz ZTBLQNOKDBVVAP-VXGBXAGGSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)(C)c1nc(NCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000301508935 201037530 /nfs/dbraw/zinc/03/75/30/201037530.db2.gz HVPZLQSPORFRBO-UHFFFAOYSA-N 2 2 276.428 3.062 20 0 CGADLP c1cn(CCC[NH+]2CCC(COc3ccccc3)CC2)c[nH+]1 ZINC000182699738 189332222 /nfs/dbraw/zinc/33/22/22/189332222.db2.gz NJNUOKBYTBNMAG-UHFFFAOYSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccccc1[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000182798178 189335025 /nfs/dbraw/zinc/33/50/25/189335025.db2.gz OHEAMDGRQHOXLW-AEFFLSMTSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1ccccc1[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000182798178 189335026 /nfs/dbraw/zinc/33/50/26/189335026.db2.gz OHEAMDGRQHOXLW-AEFFLSMTSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1cccc2[nH+]c(Cn3cc[nH+]c3C(C)C)cn21 ZINC000182843282 189336801 /nfs/dbraw/zinc/33/68/01/189336801.db2.gz FFXWGNROJDWQLN-UHFFFAOYSA-N 2 2 254.337 3.011 20 0 CGADLP C[NH+](C)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449063235 239151770 /nfs/dbraw/zinc/15/17/70/239151770.db2.gz MATLRTIQYTWGHJ-UHFFFAOYSA-N 3 2 297.531 3.207 20 0 CGADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3ccoc31)CCC2 ZINC000449171787 239221525 /nfs/dbraw/zinc/22/15/25/239221525.db2.gz UVEXETMNXKTREO-HNNXBMFYSA-N 2 2 281.359 3.297 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCCC23CCC3)[nH+]c2ccccn12 ZINC000449224070 239253908 /nfs/dbraw/zinc/25/39/08/239253908.db2.gz ZNPPASNMCBLPNP-OAHLLOKOSA-N 2 2 269.392 3.189 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CCCC34CCC4)[nH+]c2)c[nH+]1 ZINC000449320363 239310245 /nfs/dbraw/zinc/31/02/45/239310245.db2.gz NOFNFBDNXQWKPL-HNNXBMFYSA-N 2 2 282.391 3.461 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCC2CCOCC2)c[nH+]1 ZINC000449355302 239343869 /nfs/dbraw/zinc/34/38/69/239343869.db2.gz XVALGWFAPOJXNK-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000449491097 239468924 /nfs/dbraw/zinc/46/89/24/239468924.db2.gz FGGFKIAUCXSAMW-ZWKOTPCHSA-N 2 2 290.451 3.363 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000120436502 370767355 /nfs/dbraw/zinc/76/73/55/370767355.db2.gz IHTREBQKSPDODP-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]([NH2+]CCc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121003434 370822013 /nfs/dbraw/zinc/82/20/13/370822013.db2.gz ZYBXHNVPTQNVSU-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000459290262 242055826 /nfs/dbraw/zinc/05/58/26/242055826.db2.gz BZLRSMQAGOMXSN-KRWDZBQOSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000459290262 242055832 /nfs/dbraw/zinc/05/58/32/242055832.db2.gz BZLRSMQAGOMXSN-KRWDZBQOSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000459341578 242079800 /nfs/dbraw/zinc/07/98/00/242079800.db2.gz JYLAGQGHFJDMJU-IBGZPJMESA-N 2 2 297.446 3.307 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000459341578 242079805 /nfs/dbraw/zinc/07/98/05/242079805.db2.gz JYLAGQGHFJDMJU-IBGZPJMESA-N 2 2 297.446 3.307 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000459671425 242172322 /nfs/dbraw/zinc/17/23/22/242172322.db2.gz GLRZXQSOPIOLCC-CJNGLKHVSA-N 2 2 291.439 3.116 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CCCC1 ZINC000474802302 296118182 /nfs/dbraw/zinc/11/81/82/296118182.db2.gz WBKFQRPDWYGSLU-OAHLLOKOSA-N 2 2 286.463 3.254 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000480686539 243161058 /nfs/dbraw/zinc/16/10/58/243161058.db2.gz ZPWOSPUALIJFSY-CYBMUJFWSA-N 2 2 278.362 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000480686539 243161062 /nfs/dbraw/zinc/16/10/62/243161062.db2.gz ZPWOSPUALIJFSY-CYBMUJFWSA-N 2 2 278.362 3.349 20 0 CGADLP CC1CC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000480770518 243163784 /nfs/dbraw/zinc/16/37/84/243163784.db2.gz LKCSENLXXRWQTO-UYJHFMRCSA-N 2 2 272.436 3.285 20 0 CGADLP CC1CC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000480770518 243163786 /nfs/dbraw/zinc/16/37/86/243163786.db2.gz LKCSENLXXRWQTO-UYJHFMRCSA-N 2 2 272.436 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095179 243137489 /nfs/dbraw/zinc/13/74/89/243137489.db2.gz QVHZTCGVTZNAEJ-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095179 243137494 /nfs/dbraw/zinc/13/74/94/243137494.db2.gz QVHZTCGVTZNAEJ-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000484129619 243307845 /nfs/dbraw/zinc/30/78/45/243307845.db2.gz KGZPFONBTNBKNH-ZACQAIPSSA-N 2 2 296.499 3.149 20 0 CGADLP c1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)[nH+]c1 ZINC000036932152 369040325 /nfs/dbraw/zinc/04/03/25/369040325.db2.gz BAZIVBNKAXRVAJ-UHFFFAOYSA-N 2 2 273.424 3.363 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000037140874 369068043 /nfs/dbraw/zinc/06/80/43/369068043.db2.gz TYYAFDXIQYTADC-NSHDSACASA-N 2 2 280.362 3.242 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000037158105 369072641 /nfs/dbraw/zinc/07/26/41/369072641.db2.gz AAOKGYIZMITFBF-WFASDCNBSA-N 2 2 261.344 3.152 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1OC ZINC000037320177 369081747 /nfs/dbraw/zinc/08/17/47/369081747.db2.gz IRJVFIFDPYNJGX-UKRRQHHQSA-N 2 2 273.380 3.021 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500472 369156745 /nfs/dbraw/zinc/15/67/45/369156745.db2.gz MJPHUJDJVPCTME-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500472 369156753 /nfs/dbraw/zinc/15/67/53/369156753.db2.gz MJPHUJDJVPCTME-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119072 369174495 /nfs/dbraw/zinc/17/44/95/369174495.db2.gz DAHPASPAWPXUQM-AWEZNQCLSA-N 2 2 257.381 3.186 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119049 369174807 /nfs/dbraw/zinc/17/48/07/369174807.db2.gz DVUCLTMPLHMPFX-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP c1csc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000043326835 369248891 /nfs/dbraw/zinc/24/88/91/369248891.db2.gz JAQDQDMOUQJNCC-UKRRQHHQSA-N 2 2 264.438 3.321 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC(C)(C)COC)c1ccccc1 ZINC000494367112 244282831 /nfs/dbraw/zinc/28/28/31/244282831.db2.gz MJMIYVCILYPIRX-KRWDZBQOSA-N 2 2 292.467 3.332 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495016075 244348030 /nfs/dbraw/zinc/34/80/30/244348030.db2.gz GXFNHMYISPMXGZ-OAGGEKHMSA-N 2 2 291.439 3.184 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495016075 244348036 /nfs/dbraw/zinc/34/80/36/244348036.db2.gz GXFNHMYISPMXGZ-OAGGEKHMSA-N 2 2 291.439 3.184 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000053201399 369480586 /nfs/dbraw/zinc/48/05/86/369480586.db2.gz WTNSMPXBJHWQJY-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000053201399 369480589 /nfs/dbraw/zinc/48/05/89/369480589.db2.gz WTNSMPXBJHWQJY-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000053201357 369480828 /nfs/dbraw/zinc/48/08/28/369480828.db2.gz BPMZERMWBUNUDH-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000053201357 369480833 /nfs/dbraw/zinc/48/08/33/369480833.db2.gz BPMZERMWBUNUDH-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000054077498 369492854 /nfs/dbraw/zinc/49/28/54/369492854.db2.gz HJEBOZRUWYURTI-YOEHRIQHSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccc2n1 ZINC000276248539 193256332 /nfs/dbraw/zinc/25/63/32/193256332.db2.gz OTUOJYGQGPRQCG-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)ccc2n1 ZINC000276248539 193256334 /nfs/dbraw/zinc/25/63/34/193256334.db2.gz OTUOJYGQGPRQCG-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)ccc2n1 ZINC000276248539 193256336 /nfs/dbraw/zinc/25/63/36/193256336.db2.gz OTUOJYGQGPRQCG-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)ccc2n1 ZINC000276248539 193256337 /nfs/dbraw/zinc/25/63/37/193256337.db2.gz OTUOJYGQGPRQCG-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502288799 244640943 /nfs/dbraw/zinc/64/09/43/244640943.db2.gz QWHSEIMUJQUWKI-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502288799 244640946 /nfs/dbraw/zinc/64/09/46/244640946.db2.gz QWHSEIMUJQUWKI-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086869452 370023606 /nfs/dbraw/zinc/02/36/06/370023606.db2.gz QZUQXSOSWYJZCX-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000507356458 244829322 /nfs/dbraw/zinc/82/93/22/244829322.db2.gz YQZIYSCKNKAKFL-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=Cc2ccccc2OC1 ZINC000091892627 370076927 /nfs/dbraw/zinc/07/69/27/370076927.db2.gz MRIODNUAHTYRMG-MSOLQXFVSA-N 2 2 298.430 3.021 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=Cc2ccccc2OC1 ZINC000091892627 370076933 /nfs/dbraw/zinc/07/69/33/370076933.db2.gz MRIODNUAHTYRMG-MSOLQXFVSA-N 2 2 298.430 3.021 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=Cc2ccccc2OC1 ZINC000091892627 370076938 /nfs/dbraw/zinc/07/69/38/370076938.db2.gz MRIODNUAHTYRMG-MSOLQXFVSA-N 2 2 298.430 3.021 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=Cc2ccccc2OC1 ZINC000091892627 370076945 /nfs/dbraw/zinc/07/69/45/370076945.db2.gz MRIODNUAHTYRMG-MSOLQXFVSA-N 2 2 298.430 3.021 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000097928038 370257234 /nfs/dbraw/zinc/25/72/34/370257234.db2.gz ZEKSDPYTHASDQH-HNNXBMFYSA-N 2 2 290.451 3.090 20 0 CGADLP c1ccc(C([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000232465196 189816675 /nfs/dbraw/zinc/81/66/75/189816675.db2.gz OAUXGEOXMVYBKK-QGZVFWFLSA-N 2 2 266.388 3.118 20 0 CGADLP Clc1ccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131288421 371095928 /nfs/dbraw/zinc/09/59/28/371095928.db2.gz JXNRJWQTAMLUQP-CQSZACIVSA-N 2 2 275.783 3.026 20 0 CGADLP Clc1ccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131288421 371095932 /nfs/dbraw/zinc/09/59/32/371095932.db2.gz JXNRJWQTAMLUQP-CQSZACIVSA-N 2 2 275.783 3.026 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131813317 371131719 /nfs/dbraw/zinc/13/17/19/371131719.db2.gz UDZAUUKCDHOSAY-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131813317 371131722 /nfs/dbraw/zinc/13/17/22/371131722.db2.gz UDZAUUKCDHOSAY-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP CSC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131570292 371116897 /nfs/dbraw/zinc/11/68/97/371116897.db2.gz TXBWUKZHGUNQIZ-STQMWFEESA-N 2 2 275.421 3.274 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289511 220010578 /nfs/dbraw/zinc/01/05/78/220010578.db2.gz JDFRRQUJCOGZFY-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289511 220010580 /nfs/dbraw/zinc/01/05/80/220010580.db2.gz JDFRRQUJCOGZFY-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000133546445 371260874 /nfs/dbraw/zinc/26/08/74/371260874.db2.gz GVFKAFOVSWOWKO-CYBMUJFWSA-N 2 2 292.452 3.464 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000133546445 371260879 /nfs/dbraw/zinc/26/08/79/371260879.db2.gz GVFKAFOVSWOWKO-CYBMUJFWSA-N 2 2 292.452 3.464 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000134093479 371303039 /nfs/dbraw/zinc/30/30/39/371303039.db2.gz WLIFBQNNMIIPEK-UHFFFAOYSA-N 2 2 290.382 3.333 20 0 CGADLP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136087305 371460301 /nfs/dbraw/zinc/46/03/01/371460301.db2.gz QWUWKJRTTJYLRI-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136087305 371460303 /nfs/dbraw/zinc/46/03/03/371460303.db2.gz QWUWKJRTTJYLRI-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151307607 371590169 /nfs/dbraw/zinc/59/01/69/371590169.db2.gz XZRIWWIFOUKVRO-LSDHHAIUSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663844 371621500 /nfs/dbraw/zinc/62/15/00/371621500.db2.gz ISQWOCZAIZITSW-VYDXJSESSA-N 3 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663844 371621508 /nfs/dbraw/zinc/62/15/08/371621508.db2.gz ISQWOCZAIZITSW-VYDXJSESSA-N 3 2 298.434 3.006 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000421824402 371647359 /nfs/dbraw/zinc/64/73/59/371647359.db2.gz ILYDFMUVCDQCMM-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000421824402 371647362 /nfs/dbraw/zinc/64/73/62/371647362.db2.gz ILYDFMUVCDQCMM-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152798907 371725693 /nfs/dbraw/zinc/72/56/93/371725693.db2.gz JRXFMTGOPBZURS-GOSISDBHSA-N 2 2 295.430 3.347 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152827013 371727863 /nfs/dbraw/zinc/72/78/63/371727863.db2.gz FDUFGNHLPKIPFQ-OAHLLOKOSA-N 2 2 283.419 3.421 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000153212535 371756131 /nfs/dbraw/zinc/75/61/31/371756131.db2.gz WSPNXJGUGVTBRL-OFQRWUPVSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000153212535 371756141 /nfs/dbraw/zinc/75/61/41/371756141.db2.gz WSPNXJGUGVTBRL-OFQRWUPVSA-N 2 2 258.409 3.227 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422762992 371791930 /nfs/dbraw/zinc/79/19/30/371791930.db2.gz IQHVADHUHZQVHH-BXUZGUMPSA-N 2 2 284.856 3.020 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422762999 371793068 /nfs/dbraw/zinc/79/30/68/371793068.db2.gz IQHVADHUHZQVHH-SMDDNHRTSA-N 2 2 284.856 3.020 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422758886 371790017 /nfs/dbraw/zinc/79/00/17/371790017.db2.gz JJXFQZCKMHOOJM-SNVBAGLBSA-N 2 2 291.782 3.007 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422819505 371829639 /nfs/dbraw/zinc/82/96/39/371829639.db2.gz NBCUYTHMOBGQGQ-SQNIBIBYSA-N 3 2 295.515 3.137 20 0 CGADLP CCC(CC)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000153882769 371796523 /nfs/dbraw/zinc/79/65/23/371796523.db2.gz BXDDMFVXBSETCU-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(CC)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000153882769 371796531 /nfs/dbraw/zinc/79/65/31/371796531.db2.gz BXDDMFVXBSETCU-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422772233 371797403 /nfs/dbraw/zinc/79/74/03/371797403.db2.gz SCCOACGHTYOKJB-YOEHRIQHSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422791087 371811275 /nfs/dbraw/zinc/81/12/75/371811275.db2.gz VJASZXOJADVIEQ-GYSYKLTISA-N 2 2 297.240 3.240 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422797147 371816906 /nfs/dbraw/zinc/81/69/06/371816906.db2.gz LEAUNHMKUVEAQI-ACJLOTCBSA-N 2 2 284.403 3.079 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384063 371843338 /nfs/dbraw/zinc/84/33/38/371843338.db2.gz YDQNDKIQVMAHOG-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384063 371843346 /nfs/dbraw/zinc/84/33/46/371843346.db2.gz YDQNDKIQVMAHOG-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384063 371843350 /nfs/dbraw/zinc/84/33/50/371843350.db2.gz YDQNDKIQVMAHOG-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384063 371843357 /nfs/dbraw/zinc/84/33/57/371843357.db2.gz YDQNDKIQVMAHOG-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cc1 ZINC000422876692 371850370 /nfs/dbraw/zinc/85/03/70/371850370.db2.gz GHQDGUYPDZISDQ-GOEBONIOSA-N 2 2 282.387 3.491 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422881245 371851286 /nfs/dbraw/zinc/85/12/86/371851286.db2.gz YKLUKXAZUBVQIA-TZMCWYRMSA-N 2 2 298.377 3.217 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000154526645 371852663 /nfs/dbraw/zinc/85/26/63/371852663.db2.gz DHZUPVMDWNKKQW-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000154526645 371852669 /nfs/dbraw/zinc/85/26/69/371852669.db2.gz DHZUPVMDWNKKQW-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154557804 371855742 /nfs/dbraw/zinc/85/57/42/371855742.db2.gz JKDZBACEZUNWOH-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154557804 371855746 /nfs/dbraw/zinc/85/57/46/371855746.db2.gz JKDZBACEZUNWOH-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(N(C)C)c1 ZINC000289957928 371862767 /nfs/dbraw/zinc/86/27/67/371862767.db2.gz BCZLKYUSVNBBNC-UHFFFAOYSA-N 2 2 283.419 3.178 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000422912752 371865318 /nfs/dbraw/zinc/86/53/18/371865318.db2.gz NYILYDOARYCUJD-AGIUHOORSA-N 2 2 281.469 3.305 20 0 CGADLP CCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422923509 371873449 /nfs/dbraw/zinc/87/34/49/371873449.db2.gz WKJHQBLNAAAPIM-IAGOWNOFSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422943111 371882934 /nfs/dbraw/zinc/88/29/34/371882934.db2.gz KDWUTOLPXHQSJR-KBXCAEBGSA-N 2 2 288.435 3.238 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000289841221 371836600 /nfs/dbraw/zinc/83/66/00/371836600.db2.gz KFRQHASARBOGGT-HOCLYGCPSA-N 2 2 296.418 3.349 20 0 CGADLP C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422949792 371888792 /nfs/dbraw/zinc/88/87/92/371888792.db2.gz WJZRIBJIEBSFBC-SMDDNHRTSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000422955397 371890354 /nfs/dbraw/zinc/89/03/54/371890354.db2.gz JEIHUFUGAFHOLA-LBPRGKRZSA-N 2 2 287.432 3.213 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423067048 371942530 /nfs/dbraw/zinc/94/25/30/371942530.db2.gz GANFMJJAHFWRDD-SNVBAGLBSA-N 2 2 291.782 3.007 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423015593 371916153 /nfs/dbraw/zinc/91/61/53/371916153.db2.gz KZJGYOLRIOKSQZ-ZIAGYGMSSA-N 2 2 284.325 3.108 20 0 CGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423020553 371919090 /nfs/dbraw/zinc/91/90/90/371919090.db2.gz BYJBEJJOAATELJ-DCGLDWPTSA-N 2 2 287.382 3.026 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423024840 371923213 /nfs/dbraw/zinc/92/32/13/371923213.db2.gz MUMPPUYGPONXEG-RDJZCZTQSA-N 2 2 258.409 3.139 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cccc(O)c3)n2c1 ZINC000156537114 371982694 /nfs/dbraw/zinc/98/26/94/371982694.db2.gz KWOLVYILWIGOHL-ZDUSSCGKSA-N 2 2 281.359 3.199 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000423139404 371986509 /nfs/dbraw/zinc/98/65/09/371986509.db2.gz ZTBFFJKLWZRIKV-LSDHHAIUSA-N 2 2 285.391 3.170 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCOC(C)C ZINC000290434243 371988163 /nfs/dbraw/zinc/98/81/63/371988163.db2.gz RUOGABDKRDGBGF-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452446 371991683 /nfs/dbraw/zinc/99/16/83/371991683.db2.gz MLGJQULQKZUYAA-FZMZJTMJSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452446 371991687 /nfs/dbraw/zinc/99/16/87/371991687.db2.gz MLGJQULQKZUYAA-FZMZJTMJSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1F ZINC000290452446 371991688 /nfs/dbraw/zinc/99/16/88/371991688.db2.gz MLGJQULQKZUYAA-FZMZJTMJSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1F ZINC000290452446 371991692 /nfs/dbraw/zinc/99/16/92/371991692.db2.gz MLGJQULQKZUYAA-FZMZJTMJSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150496 371991807 /nfs/dbraw/zinc/99/18/07/371991807.db2.gz ZFVQNAWHCJXNAL-DCGLDWPTSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073459 371947134 /nfs/dbraw/zinc/94/71/34/371947134.db2.gz RMZCLWLRDURNFT-MJVIPROJSA-N 2 2 276.355 3.363 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)[C@@H]1CCC[NH2+]1 ZINC000423073461 371947306 /nfs/dbraw/zinc/94/73/06/371947306.db2.gz RMZCLWLRDURNFT-SUNKGSAMSA-N 2 2 276.355 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423190365 372017550 /nfs/dbraw/zinc/01/75/50/372017550.db2.gz NTRALFSXFYSLIO-JSGCOSHPSA-N 2 2 282.815 3.141 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290579246 372021107 /nfs/dbraw/zinc/02/11/07/372021107.db2.gz ULAFSLIKNGVTKL-UHFFFAOYSA-N 2 2 283.375 3.460 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290579246 372021113 /nfs/dbraw/zinc/02/11/13/372021113.db2.gz ULAFSLIKNGVTKL-UHFFFAOYSA-N 2 2 283.375 3.460 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423197089 372021691 /nfs/dbraw/zinc/02/16/91/372021691.db2.gz XRLZDOZHXQJDCG-KBXCAEBGSA-N 2 2 281.403 3.151 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000157513601 372026146 /nfs/dbraw/zinc/02/61/46/372026146.db2.gz RTFFLHRJOFDBRD-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000157513601 372026154 /nfs/dbraw/zinc/02/61/54/372026154.db2.gz RTFFLHRJOFDBRD-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423403125 372060576 /nfs/dbraw/zinc/06/05/76/372060576.db2.gz YUSYOEKUZBQSKQ-RDJZCZTQSA-N 2 2 288.435 3.137 20 0 CGADLP CC(C)C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000290627104 372030558 /nfs/dbraw/zinc/03/05/58/372030558.db2.gz XQSKVDGHPVFSIO-IAGOWNOFSA-N 2 2 269.392 3.357 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423211142 372032508 /nfs/dbraw/zinc/03/25/08/372032508.db2.gz HZWLYGDDRSQTJR-CJNGLKHVSA-N 2 2 258.365 3.081 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423218624 372038650 /nfs/dbraw/zinc/03/86/50/372038650.db2.gz SCXUDRRZPCXWLQ-FZKQIMNGSA-N 2 2 281.403 3.025 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccsc2S1 ZINC000423275919 372046390 /nfs/dbraw/zinc/04/63/90/372046390.db2.gz MIBVIYVRVDJNAV-KPXOXKRLSA-N 2 2 268.451 3.000 20 0 CGADLP CCCc1cc(N2CCn3c[nH+]cc3C2)c2ccccc2[nH+]1 ZINC000290737252 372046397 /nfs/dbraw/zinc/04/63/97/372046397.db2.gz RDDDAFOEGNLOKS-UHFFFAOYSA-N 2 2 292.386 3.404 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000423360392 372056213 /nfs/dbraw/zinc/05/62/13/372056213.db2.gz LJAVTEQJIJSHDU-OLUVUFQESA-N 2 2 252.427 3.014 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423371743 372056681 /nfs/dbraw/zinc/05/66/81/372056681.db2.gz ATQGZTKYROBIJD-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423178660 372009434 /nfs/dbraw/zinc/00/94/34/372009434.db2.gz CKRKQKCITSRXKV-PBHICJAKSA-N 2 2 272.392 3.472 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423184759 372012495 /nfs/dbraw/zinc/01/24/95/372012495.db2.gz IPUJDHBDEBBUPR-RNCFNFMXSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccsc2S1 ZINC000423184893 372013560 /nfs/dbraw/zinc/01/35/60/372013560.db2.gz IYKLIXOUKMMOAG-UMNHJUIQSA-N 2 2 268.451 3.015 20 0 CGADLP FC(F)(F)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344195319 217093639 /nfs/dbraw/zinc/09/36/39/217093639.db2.gz IMNMACGNUSNUHK-UHFFFAOYSA-N 2 2 289.326 3.366 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423559806 372072298 /nfs/dbraw/zinc/07/22/98/372072298.db2.gz PEWDSJMBNZSYRU-SUMWQHHRSA-N 2 2 288.435 3.149 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[NH+]3[C@H](C)CCC[C@H]3C)C[C@H]2C1 ZINC000424312437 372082348 /nfs/dbraw/zinc/08/23/48/372082348.db2.gz MLCLHNBNVWXHHF-OBRKIGFESA-N 2 2 294.483 3.043 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CC[N@H+](C)CCOC ZINC000159349328 372133763 /nfs/dbraw/zinc/13/37/63/372133763.db2.gz OGHUDSAUJQDOPL-AWEZNQCLSA-N 2 2 296.480 3.027 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CC[N@@H+](C)CCOC ZINC000159349328 372133770 /nfs/dbraw/zinc/13/37/70/372133770.db2.gz OGHUDSAUJQDOPL-AWEZNQCLSA-N 2 2 296.480 3.027 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671872 541867754 /nfs/dbraw/zinc/86/77/54/541867754.db2.gz JKOVFBHEYKBWQO-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671872 541867759 /nfs/dbraw/zinc/86/77/59/541867759.db2.gz JKOVFBHEYKBWQO-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672392 541868078 /nfs/dbraw/zinc/86/80/78/541868078.db2.gz PNAFOJOYPQXNKH-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672392 541868083 /nfs/dbraw/zinc/86/80/83/541868083.db2.gz PNAFOJOYPQXNKH-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000293191804 372322907 /nfs/dbraw/zinc/32/29/07/372322907.db2.gz WLPIJEUCDBLFEM-CYBMUJFWSA-N 2 2 287.382 3.070 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccccc1F ZINC000429258813 372331383 /nfs/dbraw/zinc/33/13/83/372331383.db2.gz WAYVALXVLSZGRD-UHFFFAOYSA-N 2 2 266.404 3.382 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@@H+]1C ZINC000344355436 217167152 /nfs/dbraw/zinc/16/71/52/217167152.db2.gz LMSMAFRLPDTMGB-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@H+]1C ZINC000344355436 217167156 /nfs/dbraw/zinc/16/71/56/217167156.db2.gz LMSMAFRLPDTMGB-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000293554058 372409708 /nfs/dbraw/zinc/40/97/08/372409708.db2.gz FHMKMWDMIDIGEB-SFHVURJKSA-N 2 2 290.451 3.101 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729696 372465189 /nfs/dbraw/zinc/46/51/89/372465189.db2.gz UTDGNAMCMHVFMR-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729696 372465193 /nfs/dbraw/zinc/46/51/93/372465193.db2.gz UTDGNAMCMHVFMR-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729696 372465199 /nfs/dbraw/zinc/46/51/99/372465199.db2.gz UTDGNAMCMHVFMR-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729696 372465204 /nfs/dbraw/zinc/46/52/04/372465204.db2.gz UTDGNAMCMHVFMR-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1ncc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000344416642 217185617 /nfs/dbraw/zinc/18/56/17/217185617.db2.gz JLNQLKXYLSDVON-CQSZACIVSA-N 2 2 298.434 3.004 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000163848353 372494221 /nfs/dbraw/zinc/49/42/21/372494221.db2.gz XCCJHFGSOWSXDM-CYBMUJFWSA-N 2 2 273.355 3.374 20 0 CGADLP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000344402792 217182812 /nfs/dbraw/zinc/18/28/12/217182812.db2.gz BBNBGEGGVYYAIV-HNNXBMFYSA-N 2 2 291.370 3.132 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165359736 372548944 /nfs/dbraw/zinc/54/89/44/372548944.db2.gz MGXLGCNTPMNSPH-CQSZACIVSA-N 2 2 278.415 3.424 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098838 372581136 /nfs/dbraw/zinc/58/11/36/372581136.db2.gz MOPJLQHZIAMCOP-RDJZCZTQSA-N 2 2 298.434 3.001 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098838 372581142 /nfs/dbraw/zinc/58/11/42/372581142.db2.gz MOPJLQHZIAMCOP-RDJZCZTQSA-N 2 2 298.434 3.001 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cc2ccccc2s1 ZINC000169181098 372627587 /nfs/dbraw/zinc/62/75/87/372627587.db2.gz PNNUSPQNQPTBMZ-SNVBAGLBSA-N 2 2 257.362 3.475 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000170987064 372697129 /nfs/dbraw/zinc/69/71/29/372697129.db2.gz ARXBIEZSEXINOU-UHFFFAOYSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000434617640 372693718 /nfs/dbraw/zinc/69/37/18/372693718.db2.gz MEPOXFGGVCDRNH-MRXNPFEDSA-N 2 2 275.371 3.351 20 0 CGADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000434617640 372693728 /nfs/dbraw/zinc/69/37/28/372693728.db2.gz MEPOXFGGVCDRNH-MRXNPFEDSA-N 2 2 275.371 3.351 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344592126 217242665 /nfs/dbraw/zinc/24/26/65/217242665.db2.gz LGUTUKLEYSZLGL-ZACQAIPSSA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344592126 217242668 /nfs/dbraw/zinc/24/26/68/217242668.db2.gz LGUTUKLEYSZLGL-ZACQAIPSSA-N 2 2 282.472 3.140 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353447579 220087344 /nfs/dbraw/zinc/08/73/44/220087344.db2.gz ISIUUKIUFMIBEL-CQSZACIVSA-N 2 2 287.382 3.491 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000435871696 372821374 /nfs/dbraw/zinc/82/13/74/372821374.db2.gz LFHIXCUPAJNLRI-CYBMUJFWSA-N 2 2 275.421 3.043 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000435871696 372821382 /nfs/dbraw/zinc/82/13/82/372821382.db2.gz LFHIXCUPAJNLRI-CYBMUJFWSA-N 2 2 275.421 3.043 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353447579 220087346 /nfs/dbraw/zinc/08/73/46/220087346.db2.gz ISIUUKIUFMIBEL-CQSZACIVSA-N 2 2 287.382 3.491 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743505 372801157 /nfs/dbraw/zinc/80/11/57/372801157.db2.gz AIWQZPBRFXEKRC-ODVANORSSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743505 372801164 /nfs/dbraw/zinc/80/11/64/372801164.db2.gz AIWQZPBRFXEKRC-ODVANORSSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000344604046 217245192 /nfs/dbraw/zinc/24/51/92/217245192.db2.gz LJFARNLJAMCITP-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000344604046 217245193 /nfs/dbraw/zinc/24/51/93/217245193.db2.gz LJFARNLJAMCITP-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438082114 372872208 /nfs/dbraw/zinc/87/22/08/372872208.db2.gz AUBYENNPWUHYOC-AEFFLSMTSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353465373 220097823 /nfs/dbraw/zinc/09/78/23/220097823.db2.gz TURNUSWTPLGWMV-CHWSQXEVSA-N 2 2 293.361 3.161 20 0 CGADLP FCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353514499 220129603 /nfs/dbraw/zinc/12/96/03/220129603.db2.gz HDOJSGPSRIMBIH-NVXWUHKLSA-N 2 2 287.382 3.490 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000539039759 288599430 /nfs/dbraw/zinc/59/94/30/288599430.db2.gz OXNHBMCVFRCSFO-UKRRQHHQSA-N 2 2 257.381 3.045 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000296393545 373117047 /nfs/dbraw/zinc/11/70/47/373117047.db2.gz JZCHCOQWVWBHNT-CZUORRHYSA-N 2 2 284.407 3.371 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@H+](C)C[C@H]3C)cc(C)[nH+]c12 ZINC000443523883 373157249 /nfs/dbraw/zinc/15/72/49/373157249.db2.gz RPMZFDCDKZXNMO-ZIAGYGMSSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc(C)[nH+]c12 ZINC000443523883 373157256 /nfs/dbraw/zinc/15/72/56/373157256.db2.gz RPMZFDCDKZXNMO-ZIAGYGMSSA-N 2 2 299.418 3.081 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000173893657 373211360 /nfs/dbraw/zinc/21/13/60/373211360.db2.gz UAACGCOUEYHSQI-CQSZACIVSA-N 2 2 296.455 3.191 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000173893657 373211371 /nfs/dbraw/zinc/21/13/71/373211371.db2.gz UAACGCOUEYHSQI-CQSZACIVSA-N 2 2 296.455 3.191 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000173893657 373211382 /nfs/dbraw/zinc/21/13/82/373211382.db2.gz UAACGCOUEYHSQI-CQSZACIVSA-N 2 2 296.455 3.191 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000173893657 373211389 /nfs/dbraw/zinc/21/13/89/373211389.db2.gz UAACGCOUEYHSQI-CQSZACIVSA-N 2 2 296.455 3.191 20 0 CGADLP C[C@@H]1COc2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609234 373212709 /nfs/dbraw/zinc/21/27/09/373212709.db2.gz BAOWHZXCUDNNRJ-MRXNPFEDSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@@H]1COc2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609234 373212714 /nfs/dbraw/zinc/21/27/14/373212714.db2.gz BAOWHZXCUDNNRJ-MRXNPFEDSA-N 2 2 288.435 3.146 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCOC4(CCC4)C3)[nH]c2c1 ZINC000296554946 373176142 /nfs/dbraw/zinc/17/61/42/373176142.db2.gz UUGXAXCQFCHFLQ-AWEZNQCLSA-N 2 2 299.418 3.187 20 0 CGADLP Fc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875317 373206285 /nfs/dbraw/zinc/20/62/85/373206285.db2.gz XIFNPHRTKOZMAX-HNNXBMFYSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875317 373206297 /nfs/dbraw/zinc/20/62/97/373206297.db2.gz XIFNPHRTKOZMAX-HNNXBMFYSA-N 2 2 276.399 3.134 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000173887848 373208704 /nfs/dbraw/zinc/20/87/04/373208704.db2.gz IUBNICAZMBOPKD-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000173887848 373208712 /nfs/dbraw/zinc/20/87/12/373208712.db2.gz IUBNICAZMBOPKD-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000173887848 373208716 /nfs/dbraw/zinc/20/87/16/373208716.db2.gz IUBNICAZMBOPKD-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000173887848 373208724 /nfs/dbraw/zinc/20/87/24/373208724.db2.gz IUBNICAZMBOPKD-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC000174628544 373346447 /nfs/dbraw/zinc/34/64/47/373346447.db2.gz PHMCCRSYZIFPHZ-DOMZBBRYSA-N 2 2 266.816 3.160 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC000174628544 373346450 /nfs/dbraw/zinc/34/64/50/373346450.db2.gz PHMCCRSYZIFPHZ-DOMZBBRYSA-N 2 2 266.816 3.160 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1Cl ZINC000446810173 373365354 /nfs/dbraw/zinc/36/53/54/373365354.db2.gz MYJUINXAHKRWAX-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000446810173 373365364 /nfs/dbraw/zinc/36/53/64/373365364.db2.gz MYJUINXAHKRWAX-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1Cl ZINC000446810173 373365372 /nfs/dbraw/zinc/36/53/72/373365372.db2.gz MYJUINXAHKRWAX-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1Cl ZINC000446810173 373365383 /nfs/dbraw/zinc/36/53/83/373365383.db2.gz MYJUINXAHKRWAX-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446975864 373389897 /nfs/dbraw/zinc/38/98/97/373389897.db2.gz DMXGBZLSRJFRGZ-MJGOQNOKSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446975864 373389900 /nfs/dbraw/zinc/38/99/00/373389900.db2.gz DMXGBZLSRJFRGZ-MJGOQNOKSA-N 2 2 284.447 3.150 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447595888 373461505 /nfs/dbraw/zinc/46/15/05/373461505.db2.gz AZVQBCZDWOQLSY-KSSFIOAISA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447595888 373461512 /nfs/dbraw/zinc/46/15/12/373461512.db2.gz AZVQBCZDWOQLSY-KSSFIOAISA-N 2 2 288.410 3.420 20 0 CGADLP COc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)ccc1C ZINC000447815562 373495327 /nfs/dbraw/zinc/49/53/27/373495327.db2.gz GJIGFMXWOFWDMZ-UHFFFAOYSA-N 2 2 298.430 3.225 20 0 CGADLP COc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)ccc1C ZINC000447815562 373495333 /nfs/dbraw/zinc/49/53/33/373495333.db2.gz GJIGFMXWOFWDMZ-UHFFFAOYSA-N 2 2 298.430 3.225 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353632043 220206479 /nfs/dbraw/zinc/20/64/79/220206479.db2.gz RHITYLQHZRWFDJ-STQMWFEESA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353632043 220206481 /nfs/dbraw/zinc/20/64/81/220206481.db2.gz RHITYLQHZRWFDJ-STQMWFEESA-N 2 2 285.391 3.017 20 0 CGADLP Cc1[nH+]cn(CCC(C)CCn2c[nH+]c(C)c2C)c1C ZINC000299429523 373539586 /nfs/dbraw/zinc/53/95/86/373539586.db2.gz XMIQWBRWZVGXLM-UHFFFAOYSA-N 2 2 274.412 3.430 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCC[N@@H+]1C ZINC000448334769 373563986 /nfs/dbraw/zinc/56/39/86/373563986.db2.gz KNOYGDSUESQHSO-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCC[N@H+]1C ZINC000448334769 373563996 /nfs/dbraw/zinc/56/39/96/373563996.db2.gz KNOYGDSUESQHSO-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CS1 ZINC000448371586 373575731 /nfs/dbraw/zinc/57/57/31/373575731.db2.gz NMWMZGYOHGZFNS-SOUVJXGZSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CS1 ZINC000448371586 373575738 /nfs/dbraw/zinc/57/57/38/373575738.db2.gz NMWMZGYOHGZFNS-SOUVJXGZSA-N 2 2 284.513 3.227 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccoc1 ZINC000177848115 373717213 /nfs/dbraw/zinc/71/72/13/373717213.db2.gz RLVOXZVZEDZVGY-OAHLLOKOSA-N 2 2 295.386 3.418 20 0 CGADLP CCOC[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353657071 220230437 /nfs/dbraw/zinc/23/04/37/220230437.db2.gz GIKFAYJQFAAFAD-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP CCOC[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353657071 220230441 /nfs/dbraw/zinc/23/04/41/220230441.db2.gz GIKFAYJQFAAFAD-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000449483400 373772555 /nfs/dbraw/zinc/77/25/55/373772555.db2.gz AFDVRKYWESKUNG-UHFFFAOYSA-N 2 2 257.381 3.250 20 0 CGADLP Cc1cc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc[nH+]1 ZINC000301312252 373743364 /nfs/dbraw/zinc/74/33/64/373743364.db2.gz ILNYIAQEDZRGAA-HNNXBMFYSA-N 2 2 296.418 3.423 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000289552336 197399557 /nfs/dbraw/zinc/39/95/57/197399557.db2.gz XFMPVEQZSNBLIH-QGZVFWFLSA-N 2 2 287.407 3.365 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000289552336 197399559 /nfs/dbraw/zinc/39/95/59/197399559.db2.gz XFMPVEQZSNBLIH-QGZVFWFLSA-N 2 2 287.407 3.365 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@@H+]1C ZINC000179754478 373912060 /nfs/dbraw/zinc/91/20/60/373912060.db2.gz LGJGNVZQNOKLTI-GXTWGEPZSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754478 373912066 /nfs/dbraw/zinc/91/20/66/373912066.db2.gz LGJGNVZQNOKLTI-GXTWGEPZSA-N 2 2 294.389 3.416 20 0 CGADLP CC(C)c1nc(N2CC[C@@H]([NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302919708 374005975 /nfs/dbraw/zinc/00/59/75/374005975.db2.gz YQZFRAWTHJEFBF-CYBMUJFWSA-N 2 2 290.455 3.038 20 0 CGADLP Cc1cc(NCC2CC[NH+](C)CC2)c2cccc(F)c2[nH+]1 ZINC000302815321 373971323 /nfs/dbraw/zinc/97/13/23/373971323.db2.gz IBQIZPHQYYWLDD-UHFFFAOYSA-N 2 2 287.382 3.436 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000450436368 374127614 /nfs/dbraw/zinc/12/76/14/374127614.db2.gz QWFJLULVOBPGCX-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000450436368 374127617 /nfs/dbraw/zinc/12/76/17/374127617.db2.gz QWFJLULVOBPGCX-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000450436368 374127620 /nfs/dbraw/zinc/12/76/20/374127620.db2.gz QWFJLULVOBPGCX-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000450436368 374127624 /nfs/dbraw/zinc/12/76/24/374127624.db2.gz QWFJLULVOBPGCX-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000181189076 374090134 /nfs/dbraw/zinc/09/01/34/374090134.db2.gz HPRIRKDQTBCMBJ-MRXNPFEDSA-N 2 2 276.424 3.140 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000181672732 374153588 /nfs/dbraw/zinc/15/35/88/374153588.db2.gz KREBHLNXMKENDS-LSDHHAIUSA-N 2 2 291.439 3.067 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC000309743931 374194006 /nfs/dbraw/zinc/19/40/06/374194006.db2.gz SWHRSFJNAGSMRH-HDMKZQKVSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC000309743931 374194017 /nfs/dbraw/zinc/19/40/17/374194017.db2.gz SWHRSFJNAGSMRH-HDMKZQKVSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[NH+](C)C ZINC000310203627 374210041 /nfs/dbraw/zinc/21/00/41/374210041.db2.gz CICDMVBQLLQDON-JTQLQIEISA-N 2 2 275.223 3.281 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C(C)C ZINC000182561306 374289421 /nfs/dbraw/zinc/28/94/21/374289421.db2.gz JWAYRYCHEJRHNS-HNNXBMFYSA-N 2 2 275.440 3.203 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602933 374283476 /nfs/dbraw/zinc/28/34/76/374283476.db2.gz NNDIEEJZIRYBDX-WPRPVWTQSA-N 2 2 293.263 3.485 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602933 374283481 /nfs/dbraw/zinc/28/34/81/374283481.db2.gz NNDIEEJZIRYBDX-WPRPVWTQSA-N 2 2 293.263 3.485 20 0 CGADLP Clc1sccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000312607177 374284683 /nfs/dbraw/zinc/28/46/83/374284683.db2.gz CXTGCRYJDHOGKQ-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP [NH3+][C@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000314410096 374316965 /nfs/dbraw/zinc/31/69/65/374316965.db2.gz XSFMNOZLXUGCBX-OALUTQOASA-N 2 2 280.415 3.046 20 0 CGADLP [NH3+][C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000314410096 374316975 /nfs/dbraw/zinc/31/69/75/374316975.db2.gz XSFMNOZLXUGCBX-OALUTQOASA-N 2 2 280.415 3.046 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000084208709 541932562 /nfs/dbraw/zinc/93/25/62/541932562.db2.gz LXGNVOHPQYXHLC-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000084208709 541932570 /nfs/dbraw/zinc/93/25/70/541932570.db2.gz LXGNVOHPQYXHLC-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1 ZINC000184969385 374573297 /nfs/dbraw/zinc/57/32/97/374573297.db2.gz JFPWCBHFVBMBKX-QGZVFWFLSA-N 2 2 294.402 3.403 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185680976 374714173 /nfs/dbraw/zinc/71/41/73/374714173.db2.gz NNWLRWMCIXZRNH-KBXCAEBGSA-N 2 2 284.403 3.173 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000334416174 374732434 /nfs/dbraw/zinc/73/24/34/374732434.db2.gz ODMWKWXUMLGTJA-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000334416174 374732442 /nfs/dbraw/zinc/73/24/42/374732442.db2.gz ODMWKWXUMLGTJA-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186258280 374822416 /nfs/dbraw/zinc/82/24/16/374822416.db2.gz POPRHJGLUSYTNN-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]([NH2+]C1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186327646 374834107 /nfs/dbraw/zinc/83/41/07/374834107.db2.gz AAXPTDHWUGLQAK-CZUORRHYSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434179 296224795 /nfs/dbraw/zinc/22/47/95/296224795.db2.gz SHLCFWHYJZSHNM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434179 296224797 /nfs/dbraw/zinc/22/47/97/296224797.db2.gz SHLCFWHYJZSHNM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434179 296224798 /nfs/dbraw/zinc/22/47/98/296224798.db2.gz SHLCFWHYJZSHNM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434179 296224799 /nfs/dbraw/zinc/22/47/99/296224799.db2.gz SHLCFWHYJZSHNM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000258909664 572329493 /nfs/dbraw/zinc/32/94/93/572329493.db2.gz FDZXKDPMRPFSTK-ZDUSSCGKSA-N 2 2 260.406 3.133 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187158295 374980697 /nfs/dbraw/zinc/98/06/97/374980697.db2.gz XPEFCHIURMHOIH-ZFWWWQNUSA-N 2 2 272.502 3.084 20 0 CGADLP C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000472588395 375026505 /nfs/dbraw/zinc/02/65/05/375026505.db2.gz JJFIJIZLOJWHSA-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000472588395 375026511 /nfs/dbraw/zinc/02/65/11/375026511.db2.gz JJFIJIZLOJWHSA-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccsc1 ZINC000187728795 375082052 /nfs/dbraw/zinc/08/20/52/375082052.db2.gz HUPWWWVHPSZTTJ-ZBFHGGJFSA-N 2 2 296.480 3.147 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487319263 375228833 /nfs/dbraw/zinc/22/88/33/375228833.db2.gz MGIPOSPIBBNXLG-NADMHLTPSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000487319263 375228839 /nfs/dbraw/zinc/22/88/39/375228839.db2.gz MGIPOSPIBBNXLG-NADMHLTPSA-N 2 2 295.430 3.205 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335348399 375265528 /nfs/dbraw/zinc/26/55/28/375265528.db2.gz KMRUGBQMSWXHQI-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335348399 375265534 /nfs/dbraw/zinc/26/55/34/375265534.db2.gz KMRUGBQMSWXHQI-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000189479726 375395826 /nfs/dbraw/zinc/39/58/26/375395826.db2.gz WYFPNPCERDMGEA-CJNGLKHVSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000189479726 375395833 /nfs/dbraw/zinc/39/58/33/375395833.db2.gz WYFPNPCERDMGEA-CJNGLKHVSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000189479766 375396224 /nfs/dbraw/zinc/39/62/24/375396224.db2.gz WYFPNPCERDMGEA-CZUORRHYSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000189479766 375396234 /nfs/dbraw/zinc/39/62/34/375396234.db2.gz WYFPNPCERDMGEA-CZUORRHYSA-N 2 2 290.476 3.264 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)c2ccccc21 ZINC000335600939 375334793 /nfs/dbraw/zinc/33/47/93/375334793.db2.gz DMMRXDMUXIGIHG-IRXDYDNUSA-N 2 2 264.372 3.410 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1Cl ZINC000335635693 375337200 /nfs/dbraw/zinc/33/72/00/375337200.db2.gz ULCYVHCNMWWCBE-VIFPVBQESA-N 2 2 273.207 3.396 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CCC2 ZINC000335757821 375404483 /nfs/dbraw/zinc/40/44/83/375404483.db2.gz GHWHBBHLXNPVMZ-UONOGXRCSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002964 375609673 /nfs/dbraw/zinc/60/96/73/375609673.db2.gz LMGNFCDCDMIIID-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002964 375609675 /nfs/dbraw/zinc/60/96/75/375609675.db2.gz LMGNFCDCDMIIID-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(-c2ccncc2)c1 ZINC000336054565 375649278 /nfs/dbraw/zinc/64/92/78/375649278.db2.gz CXJOXQXZTSLDFW-MOPGFXCFSA-N 2 2 293.414 3.075 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(-c2ccncc2)c1 ZINC000336054565 375649282 /nfs/dbraw/zinc/64/92/82/375649282.db2.gz CXJOXQXZTSLDFW-MOPGFXCFSA-N 2 2 293.414 3.075 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccccn1 ZINC000192173694 375705596 /nfs/dbraw/zinc/70/55/96/375705596.db2.gz MAYUZHOOYSDZGU-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000507519420 375712198 /nfs/dbraw/zinc/71/21/98/375712198.db2.gz IJKQFCIUJIXFOH-HNNXBMFYSA-N 2 2 289.467 3.415 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000336396298 375788818 /nfs/dbraw/zinc/78/88/18/375788818.db2.gz QCPQRGOAZJFMFY-GWCFXTLKSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1 ZINC000336396298 375788819 /nfs/dbraw/zinc/78/88/19/375788819.db2.gz QCPQRGOAZJFMFY-GWCFXTLKSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336558994 375830350 /nfs/dbraw/zinc/83/03/50/375830350.db2.gz YVYHISFDUKBEIN-CQSZACIVSA-N 2 2 299.418 3.449 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336558994 375830355 /nfs/dbraw/zinc/83/03/55/375830355.db2.gz YVYHISFDUKBEIN-CQSZACIVSA-N 2 2 299.418 3.449 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000336706439 375911950 /nfs/dbraw/zinc/91/19/50/375911950.db2.gz IODREOFKGKOEEJ-PBHICJAKSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000336706439 375911954 /nfs/dbraw/zinc/91/19/54/375911954.db2.gz IODREOFKGKOEEJ-PBHICJAKSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(Cl)c1Cl ZINC000336728402 375923131 /nfs/dbraw/zinc/92/31/31/375923131.db2.gz CNNDRQREMIPYEL-MRVPVSSYSA-N 2 2 281.252 3.485 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251613489 296237723 /nfs/dbraw/zinc/23/77/23/296237723.db2.gz DOSIVEWJMVTWJR-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251613489 296237724 /nfs/dbraw/zinc/23/77/24/296237724.db2.gz DOSIVEWJMVTWJR-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000193951460 375943946 /nfs/dbraw/zinc/94/39/46/375943946.db2.gz BOLZWOAHKXMYRU-AWEZNQCLSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000193951460 375943954 /nfs/dbraw/zinc/94/39/54/375943954.db2.gz BOLZWOAHKXMYRU-AWEZNQCLSA-N 2 2 266.816 3.032 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000536624849 376102465 /nfs/dbraw/zinc/10/24/65/376102465.db2.gz RLLRUTNQPMCKRW-MGPQQGTHSA-N 2 2 281.469 3.162 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000536624967 376103025 /nfs/dbraw/zinc/10/30/25/376103025.db2.gz XGWQUQBGZVLBDZ-YSVLISHTSA-N 2 2 272.436 3.475 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000536624967 376103030 /nfs/dbraw/zinc/10/30/30/376103030.db2.gz XGWQUQBGZVLBDZ-YSVLISHTSA-N 2 2 272.436 3.475 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000132121145 542075422 /nfs/dbraw/zinc/07/54/22/542075422.db2.gz JGLSDWALIXEEMQ-INIZCTEOSA-N 2 2 278.827 3.353 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615215 376180415 /nfs/dbraw/zinc/18/04/15/376180415.db2.gz NULWHCXSANCKBA-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615215 376180419 /nfs/dbraw/zinc/18/04/19/376180419.db2.gz NULWHCXSANCKBA-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615215 376180425 /nfs/dbraw/zinc/18/04/25/376180425.db2.gz NULWHCXSANCKBA-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615215 376180428 /nfs/dbraw/zinc/18/04/28/376180428.db2.gz NULWHCXSANCKBA-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP Cc1cc(NCCC[N@@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000221680027 376219038 /nfs/dbraw/zinc/21/90/38/376219038.db2.gz JMDVYKYFWZPKFH-UHFFFAOYSA-N 2 2 264.417 3.051 20 0 CGADLP Cc1cc(NCCC[N@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000221680027 376219044 /nfs/dbraw/zinc/21/90/44/376219044.db2.gz JMDVYKYFWZPKFH-UHFFFAOYSA-N 2 2 264.417 3.051 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(OC)c1 ZINC000221923698 376223236 /nfs/dbraw/zinc/22/32/36/376223236.db2.gz JDYKWDVTLDCTBE-CQSZACIVSA-N 2 2 294.439 3.085 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000221923698 376223247 /nfs/dbraw/zinc/22/32/47/376223247.db2.gz JDYKWDVTLDCTBE-CQSZACIVSA-N 2 2 294.439 3.085 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000538206421 376225219 /nfs/dbraw/zinc/22/52/19/376225219.db2.gz KWVNCTGPDMIIQO-KRWDZBQOSA-N 2 2 287.382 3.470 20 0 CGADLP CC(C)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000538393173 376238719 /nfs/dbraw/zinc/23/87/19/376238719.db2.gz IAGPGBXWHGCGRN-KRWDZBQOSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000538393173 376238723 /nfs/dbraw/zinc/23/87/23/376238723.db2.gz IAGPGBXWHGCGRN-KRWDZBQOSA-N 2 2 274.452 3.457 20 0 CGADLP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000337991514 376250713 /nfs/dbraw/zinc/25/07/13/376250713.db2.gz IFZMRYQDLNYKGB-HYVNUMGLSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000337991514 376250716 /nfs/dbraw/zinc/25/07/16/376250716.db2.gz IFZMRYQDLNYKGB-HYVNUMGLSA-N 2 2 262.441 3.172 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000338278942 376310548 /nfs/dbraw/zinc/31/05/48/376310548.db2.gz IPSYOUSGRGCICK-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000338278942 376310552 /nfs/dbraw/zinc/31/05/52/376310552.db2.gz IPSYOUSGRGCICK-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)COC)ccc2n1C1CC1 ZINC000338444165 376377830 /nfs/dbraw/zinc/37/78/30/376377830.db2.gz HQBYRICVKVEIAC-LBPRGKRZSA-N 2 2 287.407 3.058 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)o1 ZINC000541748752 376479125 /nfs/dbraw/zinc/47/91/25/376479125.db2.gz UIPHBPIJBGETDY-INIZCTEOSA-N 2 2 262.397 3.113 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000228763100 376446815 /nfs/dbraw/zinc/44/68/15/376446815.db2.gz ZJVUDOYDFHMCPT-AWEZNQCLSA-N 2 2 284.831 3.154 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000228763100 376446817 /nfs/dbraw/zinc/44/68/17/376446817.db2.gz ZJVUDOYDFHMCPT-AWEZNQCLSA-N 2 2 284.831 3.154 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000338905305 376566668 /nfs/dbraw/zinc/56/66/68/376566668.db2.gz QIIPZSZJVIPQPG-UHFFFAOYSA-N 2 2 289.467 3.293 20 0 CGADLP C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670620 376564395 /nfs/dbraw/zinc/56/43/95/376564395.db2.gz LIWYCSJBYFGHIP-NSHDSACASA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670620 376564398 /nfs/dbraw/zinc/56/43/98/376564398.db2.gz LIWYCSJBYFGHIP-NSHDSACASA-N 2 2 270.779 3.053 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338786817 376536368 /nfs/dbraw/zinc/53/63/68/376536368.db2.gz NUYQPQDTRMFLOK-USXIJHARSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338786817 376536376 /nfs/dbraw/zinc/53/63/76/376536376.db2.gz NUYQPQDTRMFLOK-USXIJHARSA-N 2 2 260.425 3.108 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000237387001 376740963 /nfs/dbraw/zinc/74/09/63/376740963.db2.gz FYNNXBKUDWGWON-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445674 376819202 /nfs/dbraw/zinc/81/92/02/376819202.db2.gz ZCRHULPNDARQOY-SWLSCSKDSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445674 376819210 /nfs/dbraw/zinc/81/92/10/376819210.db2.gz ZCRHULPNDARQOY-SWLSCSKDSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445674 376819215 /nfs/dbraw/zinc/81/92/15/376819215.db2.gz ZCRHULPNDARQOY-SWLSCSKDSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000245445674 376819219 /nfs/dbraw/zinc/81/92/19/376819219.db2.gz ZCRHULPNDARQOY-SWLSCSKDSA-N 2 2 282.378 3.127 20 0 CGADLP C1=CC[C@@H](C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000245551952 376851214 /nfs/dbraw/zinc/85/12/14/376851214.db2.gz CEOBPAGFFSCGHH-SJORKVTESA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@@H](C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000245551952 376851218 /nfs/dbraw/zinc/85/12/18/376851218.db2.gz CEOBPAGFFSCGHH-SJORKVTESA-N 2 2 262.441 3.293 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896153 376902224 /nfs/dbraw/zinc/90/22/24/376902224.db2.gz TYSPPPOTOCNGLY-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896153 376902228 /nfs/dbraw/zinc/90/22/28/376902228.db2.gz TYSPPPOTOCNGLY-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896153 376902230 /nfs/dbraw/zinc/90/22/30/376902230.db2.gz TYSPPPOTOCNGLY-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)[C@@H](C)C1 ZINC000556896153 376902233 /nfs/dbraw/zinc/90/22/33/376902233.db2.gz TYSPPPOTOCNGLY-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245710065 376886682 /nfs/dbraw/zinc/88/66/82/376886682.db2.gz CGNHUQDGQJUQLA-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000245710065 376886685 /nfs/dbraw/zinc/88/66/85/376886685.db2.gz CGNHUQDGQJUQLA-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000245726270 376891320 /nfs/dbraw/zinc/89/13/20/376891320.db2.gz IUPNONDFRPRXNZ-HLLBOEOZSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000245726270 376891331 /nfs/dbraw/zinc/89/13/31/376891331.db2.gz IUPNONDFRPRXNZ-HLLBOEOZSA-N 2 2 288.435 3.321 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245895520 376926891 /nfs/dbraw/zinc/92/68/91/376926891.db2.gz CYQXAZWHPMGLCS-BBRMVZONSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245895520 376926897 /nfs/dbraw/zinc/92/68/97/376926897.db2.gz CYQXAZWHPMGLCS-BBRMVZONSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245895520 376926904 /nfs/dbraw/zinc/92/69/04/376926904.db2.gz CYQXAZWHPMGLCS-BBRMVZONSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245895520 376926910 /nfs/dbraw/zinc/92/69/10/376926910.db2.gz CYQXAZWHPMGLCS-BBRMVZONSA-N 2 2 264.388 3.049 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000246156513 376978124 /nfs/dbraw/zinc/97/81/24/376978124.db2.gz LJRYCFIOTCZHDY-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000246156513 376978127 /nfs/dbraw/zinc/97/81/27/376978127.db2.gz LJRYCFIOTCZHDY-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)no1 ZINC000340476879 377088807 /nfs/dbraw/zinc/08/88/07/377088807.db2.gz IRKLEBSGVDCOHY-TZMCWYRMSA-N 2 2 267.417 3.000 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560268259 377136651 /nfs/dbraw/zinc/13/66/51/377136651.db2.gz TUEYVXBWZRPBIK-CYBMUJFWSA-N 2 2 284.407 3.028 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892564 377197216 /nfs/dbraw/zinc/19/72/16/377197216.db2.gz MKLPMIBJQPSATH-YJBOKZPZSA-N 2 2 280.415 3.316 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892564 377197226 /nfs/dbraw/zinc/19/72/26/377197226.db2.gz MKLPMIBJQPSATH-YJBOKZPZSA-N 2 2 280.415 3.316 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000247234072 377183877 /nfs/dbraw/zinc/18/38/77/377183877.db2.gz YMISRLYKVRSNCI-QLFBSQMISA-N 2 2 264.413 3.298 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000247234072 377183881 /nfs/dbraw/zinc/18/38/81/377183881.db2.gz YMISRLYKVRSNCI-QLFBSQMISA-N 2 2 264.413 3.298 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000561906549 377251847 /nfs/dbraw/zinc/25/18/47/377251847.db2.gz LSDPERIGPLFGPP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000561906549 377251853 /nfs/dbraw/zinc/25/18/53/377251853.db2.gz LSDPERIGPLFGPP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000561976743 377258962 /nfs/dbraw/zinc/25/89/62/377258962.db2.gz QVJQIJCLGJELBS-OAHLLOKOSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000561976743 377258966 /nfs/dbraw/zinc/25/89/66/377258966.db2.gz QVJQIJCLGJELBS-OAHLLOKOSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000248575736 377353744 /nfs/dbraw/zinc/35/37/44/377353744.db2.gz TURUVVUNCPGWQM-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000248575736 377353751 /nfs/dbraw/zinc/35/37/51/377353751.db2.gz TURUVVUNCPGWQM-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000248575736 377353755 /nfs/dbraw/zinc/35/37/55/377353755.db2.gz TURUVVUNCPGWQM-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000248575736 377353765 /nfs/dbraw/zinc/35/37/65/377353765.db2.gz TURUVVUNCPGWQM-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCC23CCCCC3)c[nH+]1 ZINC000313010587 249084181 /nfs/dbraw/zinc/08/41/81/249084181.db2.gz KXHOEBYOSWKMNS-HNNXBMFYSA-N 2 2 261.413 3.366 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1C(F)(F)F ZINC000313277280 249090011 /nfs/dbraw/zinc/09/00/11/249090011.db2.gz ZQLJZQGQFOHVLX-LLVKDONJSA-N 2 2 297.324 3.332 20 0 CGADLP CCc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000265254942 190169372 /nfs/dbraw/zinc/16/93/72/190169372.db2.gz WZEDGBNJTFYBIN-UHFFFAOYSA-N 2 2 283.419 3.325 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000250577187 377562759 /nfs/dbraw/zinc/56/27/59/377562759.db2.gz FHNCVDJEBCEOTH-WMLDXEAASA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000250577187 377562769 /nfs/dbraw/zinc/56/27/69/377562769.db2.gz FHNCVDJEBCEOTH-WMLDXEAASA-N 2 2 276.424 3.176 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000514716708 249186651 /nfs/dbraw/zinc/18/66/51/249186651.db2.gz WXCQMMSISYDXLE-UHFFFAOYSA-N 2 2 289.467 3.172 20 0 CGADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCCC[NH2+]1 ZINC000514930845 249194602 /nfs/dbraw/zinc/19/46/02/249194602.db2.gz YZRGLGRTWLERQH-IUODEOHRSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947201 249195260 /nfs/dbraw/zinc/19/52/60/249195260.db2.gz QIMNWQUFKGOXPL-YPMHNXCESA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947201 249195263 /nfs/dbraw/zinc/19/52/63/249195263.db2.gz QIMNWQUFKGOXPL-YPMHNXCESA-N 2 2 291.345 3.249 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340454 249209330 /nfs/dbraw/zinc/20/93/30/249209330.db2.gz AJKRPFPJWMFNIX-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340454 249209333 /nfs/dbraw/zinc/20/93/33/249209333.db2.gz AJKRPFPJWMFNIX-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340454 249209336 /nfs/dbraw/zinc/20/93/36/249209336.db2.gz AJKRPFPJWMFNIX-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340454 249209339 /nfs/dbraw/zinc/20/93/39/249209339.db2.gz AJKRPFPJWMFNIX-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1F ZINC000178309110 542196519 /nfs/dbraw/zinc/19/65/19/542196519.db2.gz GHWBPZNPJKIYSV-LBPRGKRZSA-N 2 2 282.428 3.294 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000573981548 377602034 /nfs/dbraw/zinc/60/20/34/377602034.db2.gz JWDZZCVKPKEDAF-OWCLPIDISA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000573981548 377602038 /nfs/dbraw/zinc/60/20/38/377602038.db2.gz JWDZZCVKPKEDAF-OWCLPIDISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252198377 377617710 /nfs/dbraw/zinc/61/77/10/377617710.db2.gz STUDCFYZDWONDG-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000252198377 377617718 /nfs/dbraw/zinc/61/77/18/377617718.db2.gz STUDCFYZDWONDG-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000252001791 377610233 /nfs/dbraw/zinc/61/02/33/377610233.db2.gz ZZHHBFZDVDJUNS-JJRVBVJISA-N 2 2 269.392 3.500 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261582773 377820331 /nfs/dbraw/zinc/82/03/31/377820331.db2.gz RIBPAEVKQSEVBG-LALPHHSUSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261582773 377820336 /nfs/dbraw/zinc/82/03/36/377820336.db2.gz RIBPAEVKQSEVBG-LALPHHSUSA-N 2 2 264.800 3.085 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261574634 377820603 /nfs/dbraw/zinc/82/06/03/377820603.db2.gz MSYTTXRNIXHGKG-DUFXMDAXSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261574634 377820608 /nfs/dbraw/zinc/82/06/08/377820608.db2.gz MSYTTXRNIXHGKG-DUFXMDAXSA-N 2 2 285.218 3.163 20 0 CGADLP FC(F)(F)CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342844592 377832010 /nfs/dbraw/zinc/83/20/10/377832010.db2.gz ZTQRVKWTKZDDHF-UHFFFAOYSA-N 2 2 297.324 3.499 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)C1 ZINC000343074455 377894527 /nfs/dbraw/zinc/89/45/27/377894527.db2.gz WTHKOPQACAXEHZ-LZLYRXPVSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)C1 ZINC000343074455 377894530 /nfs/dbraw/zinc/89/45/30/377894530.db2.gz WTHKOPQACAXEHZ-LZLYRXPVSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261713523 377845065 /nfs/dbraw/zinc/84/50/65/377845065.db2.gz KOZJRECBBJPMAB-QANKJYHBSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261713523 377845071 /nfs/dbraw/zinc/84/50/71/377845071.db2.gz KOZJRECBBJPMAB-QANKJYHBSA-N 2 2 284.378 3.313 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000343471365 377990888 /nfs/dbraw/zinc/99/08/88/377990888.db2.gz YTEMCAFJHYPYHB-HUBLWGQQSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000343471365 377990893 /nfs/dbraw/zinc/99/08/93/377990893.db2.gz YTEMCAFJHYPYHB-HUBLWGQQSA-N 2 2 264.438 3.009 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575812067 377992572 /nfs/dbraw/zinc/99/25/72/377992572.db2.gz HSXMZJITWQCEQM-SJORKVTESA-N 2 2 292.467 3.060 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575812067 377992578 /nfs/dbraw/zinc/99/25/78/377992578.db2.gz HSXMZJITWQCEQM-SJORKVTESA-N 2 2 292.467 3.060 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343851478 378113928 /nfs/dbraw/zinc/11/39/28/378113928.db2.gz ZIAAMGAGYIEMNK-BDAKNGLRSA-N 2 2 295.374 3.153 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837210 378127178 /nfs/dbraw/zinc/12/71/78/378127178.db2.gz UWMRIKYLAQWFIN-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837210 378127184 /nfs/dbraw/zinc/12/71/84/378127184.db2.gz UWMRIKYLAQWFIN-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897764 378128168 /nfs/dbraw/zinc/12/81/68/378128168.db2.gz YUIUFKGBINLSCK-WMLDXEAASA-N 2 2 290.451 3.041 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897764 378128175 /nfs/dbraw/zinc/12/81/75/378128175.db2.gz YUIUFKGBINLSCK-WMLDXEAASA-N 2 2 290.451 3.041 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c2ccccc21 ZINC000343785923 378092188 /nfs/dbraw/zinc/09/21/88/378092188.db2.gz FSGIMGAFMADEJE-OMNBBPDLSA-N 2 2 258.409 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c2ccccc21 ZINC000343785923 378092192 /nfs/dbraw/zinc/09/21/92/378092192.db2.gz FSGIMGAFMADEJE-OMNBBPDLSA-N 2 2 258.409 3.307 20 0 CGADLP CCN(CC[NH+]1CCCCCC1)c1cccc(C)[nH+]1 ZINC000343804892 378098366 /nfs/dbraw/zinc/09/83/66/378098366.db2.gz KGXKDLMQVKIRKK-UHFFFAOYSA-N 2 2 261.413 3.092 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000579887006 378204024 /nfs/dbraw/zinc/20/40/24/378204024.db2.gz KZBIRLPUDODAFX-CHWSQXEVSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000579887006 378204031 /nfs/dbraw/zinc/20/40/31/378204031.db2.gz KZBIRLPUDODAFX-CHWSQXEVSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000579887006 378204038 /nfs/dbraw/zinc/20/40/38/378204038.db2.gz KZBIRLPUDODAFX-CHWSQXEVSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000579887006 378204042 /nfs/dbraw/zinc/20/40/42/378204042.db2.gz KZBIRLPUDODAFX-CHWSQXEVSA-N 2 2 281.469 3.039 20 0 CGADLP CC1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CCCCCC1 ZINC000579897460 378205595 /nfs/dbraw/zinc/20/55/95/378205595.db2.gz COEDASSZDLJWQC-CYBMUJFWSA-N 2 2 261.413 3.217 20 0 CGADLP CC1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CCCCCC1 ZINC000579897460 378205597 /nfs/dbraw/zinc/20/55/97/378205597.db2.gz COEDASSZDLJWQC-CYBMUJFWSA-N 2 2 261.413 3.217 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)oc21 ZINC000269335913 378208021 /nfs/dbraw/zinc/20/80/21/378208021.db2.gz OZIRWVPPGZOXGH-OLZOCXBDSA-N 2 2 299.374 3.377 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000269394795 378216275 /nfs/dbraw/zinc/21/62/75/378216275.db2.gz DPMPDZDSTCGGON-GFCCVEGCSA-N 2 2 290.436 3.389 20 0 CGADLP CCCN(CCC[NH+](C)C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000345422244 378280447 /nfs/dbraw/zinc/28/04/47/378280447.db2.gz UJJQHHLMPFJMHN-UHFFFAOYSA-N 2 2 278.444 3.077 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCF ZINC000270322198 378335068 /nfs/dbraw/zinc/33/50/68/378335068.db2.gz KIIWICFEKZQOME-AWEZNQCLSA-N 2 2 275.371 3.169 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCCF ZINC000270322198 378335071 /nfs/dbraw/zinc/33/50/71/378335071.db2.gz KIIWICFEKZQOME-AWEZNQCLSA-N 2 2 275.371 3.169 20 0 CGADLP CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346139473 378477942 /nfs/dbraw/zinc/47/79/42/378477942.db2.gz VOOYVESWFUSORV-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346167423 378488505 /nfs/dbraw/zinc/48/85/05/378488505.db2.gz KHOLWEMJLHELAU-QWHCGFSZSA-N 2 2 275.421 3.412 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346167423 378488511 /nfs/dbraw/zinc/48/85/11/378488511.db2.gz KHOLWEMJLHELAU-QWHCGFSZSA-N 2 2 275.421 3.412 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000271928684 378519912 /nfs/dbraw/zinc/51/99/12/378519912.db2.gz GYEAEPRREYKWTC-DAYGRLMNSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000272045232 378551318 /nfs/dbraw/zinc/55/13/18/378551318.db2.gz QUPKWWIDVMLOIW-INIZCTEOSA-N 2 2 286.423 3.353 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000272075678 378557990 /nfs/dbraw/zinc/55/79/90/378557990.db2.gz GLMKVBMWPYEXSO-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000272075678 378557997 /nfs/dbraw/zinc/55/79/97/378557997.db2.gz GLMKVBMWPYEXSO-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346375951 378561312 /nfs/dbraw/zinc/56/13/12/378561312.db2.gz CPIXWIFUTWFYHT-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346375951 378561317 /nfs/dbraw/zinc/56/13/17/378561317.db2.gz CPIXWIFUTWFYHT-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000346278070 378530621 /nfs/dbraw/zinc/53/06/21/378530621.db2.gz OJWGHVAZVMZACZ-KRWDZBQOSA-N 2 2 289.398 3.221 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000346278070 378530626 /nfs/dbraw/zinc/53/06/26/378530626.db2.gz OJWGHVAZVMZACZ-KRWDZBQOSA-N 2 2 289.398 3.221 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346593868 378636884 /nfs/dbraw/zinc/63/68/84/378636884.db2.gz OTIPOFGRCXGMNV-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000638077453 378688116 /nfs/dbraw/zinc/68/81/16/378688116.db2.gz STZOQUODEWASNE-LBPRGKRZSA-N 2 2 292.810 3.470 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000638077453 378688118 /nfs/dbraw/zinc/68/81/18/378688118.db2.gz STZOQUODEWASNE-LBPRGKRZSA-N 2 2 292.810 3.470 20 0 CGADLP Cc1scc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000638087109 378691301 /nfs/dbraw/zinc/69/13/01/378691301.db2.gz ZUFFHDWVACIKPH-UHFFFAOYSA-N 2 2 275.421 3.468 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000637954375 378644448 /nfs/dbraw/zinc/64/44/48/378644448.db2.gz WEHLVIQGOZVAGT-LBPRGKRZSA-N 2 2 292.333 3.122 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000637954375 378644451 /nfs/dbraw/zinc/64/44/51/378644451.db2.gz WEHLVIQGOZVAGT-LBPRGKRZSA-N 2 2 292.333 3.122 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346611400 378646147 /nfs/dbraw/zinc/64/61/47/378646147.db2.gz ZAPPWLNDSHHLOW-NUJGCVRESA-N 2 2 292.467 3.156 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346611400 378646149 /nfs/dbraw/zinc/64/61/49/378646149.db2.gz ZAPPWLNDSHHLOW-NUJGCVRESA-N 2 2 292.467 3.156 20 0 CGADLP CC(C)c1csc([C@@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000346967486 378701587 /nfs/dbraw/zinc/70/15/87/378701587.db2.gz CZOROPGLZFZGDA-GFCCVEGCSA-N 2 2 281.469 3.183 20 0 CGADLP CC(C)c1csc([C@@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000346967486 378701592 /nfs/dbraw/zinc/70/15/92/378701592.db2.gz CZOROPGLZFZGDA-GFCCVEGCSA-N 2 2 281.469 3.183 20 0 CGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000272772044 378701982 /nfs/dbraw/zinc/70/19/82/378701982.db2.gz SRKHHQXOTSFDGU-AWEZNQCLSA-N 2 2 297.402 3.242 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110750 378702767 /nfs/dbraw/zinc/70/27/67/378702767.db2.gz PJBVIKIIFNFQQF-OCCSQVGLSA-N 2 2 297.393 3.324 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110750 378702770 /nfs/dbraw/zinc/70/27/70/378702770.db2.gz PJBVIKIIFNFQQF-OCCSQVGLSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110750 378702773 /nfs/dbraw/zinc/70/27/73/378702773.db2.gz PJBVIKIIFNFQQF-OCCSQVGLSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110750 378702777 /nfs/dbraw/zinc/70/27/77/378702777.db2.gz PJBVIKIIFNFQQF-OCCSQVGLSA-N 2 2 297.393 3.324 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173469 378722404 /nfs/dbraw/zinc/72/24/04/378722404.db2.gz XRKUSVWVMVPHNN-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173469 378722409 /nfs/dbraw/zinc/72/24/09/378722409.db2.gz XRKUSVWVMVPHNN-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638340972 378773339 /nfs/dbraw/zinc/77/33/39/378773339.db2.gz HEIHDRKNIVFVQL-WFASDCNBSA-N 2 2 291.345 3.065 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000348067353 378773962 /nfs/dbraw/zinc/77/39/62/378773962.db2.gz FCRFDGYVTFHSTL-DLBZAZTESA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000348065227 378774581 /nfs/dbraw/zinc/77/45/81/378774581.db2.gz BKWFVKCKGUOSSL-ZIAGYGMSSA-N 2 2 257.381 3.123 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000348119981 378800663 /nfs/dbraw/zinc/80/06/63/378800663.db2.gz GYPBNXRGIUMNDV-UAGQMJEPSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348119981 378800668 /nfs/dbraw/zinc/80/06/68/378800668.db2.gz GYPBNXRGIUMNDV-UAGQMJEPSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)C1CCOCC1 ZINC000348095234 378788997 /nfs/dbraw/zinc/78/89/97/378788997.db2.gz HSVNHXPPBUGEFJ-KRWDZBQOSA-N 2 2 276.424 3.117 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000348100960 378792246 /nfs/dbraw/zinc/79/22/46/378792246.db2.gz GYLDCQHDYLXEKG-HOCLYGCPSA-N 2 2 255.365 3.151 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(Cl)ccc1Cl ZINC000274287218 378804314 /nfs/dbraw/zinc/80/43/14/378804314.db2.gz FKCQOLRRWHTHFJ-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(Cl)ccc1Cl ZINC000274287218 378804318 /nfs/dbraw/zinc/80/43/18/378804318.db2.gz FKCQOLRRWHTHFJ-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP CSc1cc(C[NH2+]CCCc2c[nH+]ccc2C)ccn1 ZINC000348133341 378806416 /nfs/dbraw/zinc/80/64/16/378806416.db2.gz KTLABCOALOHJDY-UHFFFAOYSA-N 2 2 287.432 3.229 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000346823907 218025585 /nfs/dbraw/zinc/02/55/85/218025585.db2.gz FZHUAVAZVVYSJF-UHFFFAOYSA-N 2 2 252.789 3.042 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000346823907 218025586 /nfs/dbraw/zinc/02/55/86/218025586.db2.gz FZHUAVAZVVYSJF-UHFFFAOYSA-N 2 2 252.789 3.042 20 0 CGADLP Cc1cc(NCCCCNc2cccc[nH+]2)cc[nH+]1 ZINC000274375790 378822604 /nfs/dbraw/zinc/82/26/04/378822604.db2.gz RIVUDZAXZAHMOP-UHFFFAOYSA-N 2 2 256.353 3.089 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348261343 378870023 /nfs/dbraw/zinc/87/00/23/378870023.db2.gz PIIZAQDBPACJKG-MSOLQXFVSA-N 2 2 266.388 3.326 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348261126 378870282 /nfs/dbraw/zinc/87/02/82/378870282.db2.gz KMJXOKKEQFWUBR-VYDXJSESSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348261126 378870290 /nfs/dbraw/zinc/87/02/90/378870290.db2.gz KMJXOKKEQFWUBR-VYDXJSESSA-N 2 2 299.418 3.236 20 0 CGADLP CC(C)SCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348302145 378896075 /nfs/dbraw/zinc/89/60/75/378896075.db2.gz LYSMQHPOSQCPLD-RDJZCZTQSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)SCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348302145 378896081 /nfs/dbraw/zinc/89/60/81/378896081.db2.gz LYSMQHPOSQCPLD-RDJZCZTQSA-N 2 2 292.492 3.238 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000348305137 378897236 /nfs/dbraw/zinc/89/72/36/378897236.db2.gz NNAIGOPKOPNDMN-UNQGMJICSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000348305137 378897243 /nfs/dbraw/zinc/89/72/43/378897243.db2.gz NNAIGOPKOPNDMN-UNQGMJICSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)(C)C1 ZINC000348264791 378873060 /nfs/dbraw/zinc/87/30/60/378873060.db2.gz ZBEOYYFBOCSCTQ-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)(C)C1 ZINC000348264791 378873066 /nfs/dbraw/zinc/87/30/66/378873066.db2.gz ZBEOYYFBOCSCTQ-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000638700790 378879854 /nfs/dbraw/zinc/87/98/54/378879854.db2.gz RBHWDQFKQWMZDD-BZZMCLGOSA-N 2 2 295.430 3.340 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000346989901 218081633 /nfs/dbraw/zinc/08/16/33/218081633.db2.gz HKNKLWRUTDUGNT-WBVHZDCISA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000346989901 218081635 /nfs/dbraw/zinc/08/16/35/218081635.db2.gz HKNKLWRUTDUGNT-WBVHZDCISA-N 2 2 295.430 3.015 20 0 CGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348331205 378912930 /nfs/dbraw/zinc/91/29/30/378912930.db2.gz QNNFAOWGSUKAHB-HUUCEWRRSA-N 2 2 298.352 3.003 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638792486 378913716 /nfs/dbraw/zinc/91/37/16/378913716.db2.gz DGQHITYKQFMPFD-KRWDZBQOSA-N 2 2 295.430 3.049 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC000274904700 378916665 /nfs/dbraw/zinc/91/66/65/378916665.db2.gz LYKKYKCLLIJUCJ-LBPRGKRZSA-N 2 2 293.842 3.260 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@H]1CCO1 ZINC000638816843 378921959 /nfs/dbraw/zinc/92/19/59/378921959.db2.gz OWTVARINSHSAJW-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@H]1CCO1 ZINC000638816843 378921966 /nfs/dbraw/zinc/92/19/66/378921966.db2.gz OWTVARINSHSAJW-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CSC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000275182292 378948871 /nfs/dbraw/zinc/94/88/71/378948871.db2.gz AZXSCUUPEGPPFY-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CSC[C@@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000275182292 378948878 /nfs/dbraw/zinc/94/88/78/378948878.db2.gz AZXSCUUPEGPPFY-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308459 378955163 /nfs/dbraw/zinc/95/51/63/378955163.db2.gz RDRVPFOFXFXNLK-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308459 378955167 /nfs/dbraw/zinc/95/51/67/378955167.db2.gz RDRVPFOFXFXNLK-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)s1 ZINC000275308459 378955174 /nfs/dbraw/zinc/95/51/74/378955174.db2.gz RDRVPFOFXFXNLK-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)s1 ZINC000275308459 378955182 /nfs/dbraw/zinc/95/51/82/378955182.db2.gz RDRVPFOFXFXNLK-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308465 378955791 /nfs/dbraw/zinc/95/57/91/378955791.db2.gz RDRVPFOFXFXNLK-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308465 378955796 /nfs/dbraw/zinc/95/57/96/378955796.db2.gz RDRVPFOFXFXNLK-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)s1 ZINC000275308465 378955799 /nfs/dbraw/zinc/95/57/99/378955799.db2.gz RDRVPFOFXFXNLK-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)s1 ZINC000275308465 378955802 /nfs/dbraw/zinc/95/58/02/378955802.db2.gz RDRVPFOFXFXNLK-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP CC(C)c1nc(NCCCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000347299550 218181643 /nfs/dbraw/zinc/18/16/43/218181643.db2.gz IJKZUSHQUIPSNF-UHFFFAOYSA-N 2 2 290.455 3.090 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277068554 379058747 /nfs/dbraw/zinc/05/87/47/379058747.db2.gz DPCKNNYJSYJJGZ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277068554 379058754 /nfs/dbraw/zinc/05/87/54/379058754.db2.gz DPCKNNYJSYJJGZ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000277103304 379069169 /nfs/dbraw/zinc/06/91/69/379069169.db2.gz GPNLHTFSARYNCL-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000277103304 379069175 /nfs/dbraw/zinc/06/91/75/379069175.db2.gz GPNLHTFSARYNCL-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CCC[C@@H]3C3CC3)[nH+]c2)c[nH+]1 ZINC000348848037 379083395 /nfs/dbraw/zinc/08/33/95/379083395.db2.gz MBNGDGZLYFFEPU-CVEARBPZSA-N 2 2 282.391 3.317 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000277249192 379109196 /nfs/dbraw/zinc/10/91/96/379109196.db2.gz QDQPWDRYUZQVAP-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000277249192 379109214 /nfs/dbraw/zinc/10/92/14/379109214.db2.gz QDQPWDRYUZQVAP-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000639199466 379125323 /nfs/dbraw/zinc/12/53/23/379125323.db2.gz XEMQZBKDBXKCHF-DYVFJYSZSA-N 2 2 298.434 3.384 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000639199466 379125331 /nfs/dbraw/zinc/12/53/31/379125331.db2.gz XEMQZBKDBXKCHF-DYVFJYSZSA-N 2 2 298.434 3.384 20 0 CGADLP CC[N@H+](Cc1cscn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348999879 379128939 /nfs/dbraw/zinc/12/89/39/379128939.db2.gz FWHGPFFEFKYTLT-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CC[N@@H+](Cc1cscn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348999879 379128949 /nfs/dbraw/zinc/12/89/49/379128949.db2.gz FWHGPFFEFKYTLT-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ncoc2-c2ccccc2)CC1 ZINC000371280521 379131859 /nfs/dbraw/zinc/13/18/59/379131859.db2.gz QGYIXIOQFNMTMC-UHFFFAOYSA-N 2 2 299.418 3.304 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)CC1 ZINC000277270272 379116488 /nfs/dbraw/zinc/11/64/88/379116488.db2.gz ROAKFVURSJMACP-ZDUSSCGKSA-N 2 2 298.833 3.438 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)CC1 ZINC000277270272 379116497 /nfs/dbraw/zinc/11/64/97/379116497.db2.gz ROAKFVURSJMACP-ZDUSSCGKSA-N 2 2 298.833 3.438 20 0 CGADLP COc1cccc2c1CC[C@H]([NH2+]CCc1cc[nH+]cc1C)C2 ZINC000277354013 379138204 /nfs/dbraw/zinc/13/82/04/379138204.db2.gz ZHEBHJXVESFISH-KRWDZBQOSA-N 2 2 296.414 3.088 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000349145292 379168515 /nfs/dbraw/zinc/16/85/15/379168515.db2.gz DTYDMWAMGIKVMI-CYBMUJFWSA-N 2 2 298.365 3.030 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000349145292 379168523 /nfs/dbraw/zinc/16/85/23/379168523.db2.gz DTYDMWAMGIKVMI-CYBMUJFWSA-N 2 2 298.365 3.030 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000349178982 379178353 /nfs/dbraw/zinc/17/83/53/379178353.db2.gz CACFSSCTUJWWGN-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000349178982 379178364 /nfs/dbraw/zinc/17/83/64/379178364.db2.gz CACFSSCTUJWWGN-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000639255588 379198063 /nfs/dbraw/zinc/19/80/63/379198063.db2.gz IOTRDDDYCJRWCG-LSDHHAIUSA-N 2 2 261.413 3.077 20 0 CGADLP CCc1ccc(C[N@@H+](CC)CCC[NH+](CC)CC)o1 ZINC000349347374 379240428 /nfs/dbraw/zinc/24/04/28/379240428.db2.gz LMUSZQANSGGEOR-UHFFFAOYSA-N 2 2 266.429 3.396 20 0 CGADLP CCc1ccc(C[N@H+](CC)CCC[NH+](CC)CC)o1 ZINC000349347374 379240431 /nfs/dbraw/zinc/24/04/31/379240431.db2.gz LMUSZQANSGGEOR-UHFFFAOYSA-N 2 2 266.429 3.396 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349387383 379264799 /nfs/dbraw/zinc/26/47/99/379264799.db2.gz VGNDBJWSFYSQTF-UHFFFAOYSA-N 2 2 275.371 3.107 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349387383 379264803 /nfs/dbraw/zinc/26/48/03/379264803.db2.gz VGNDBJWSFYSQTF-UHFFFAOYSA-N 2 2 275.371 3.107 20 0 CGADLP Cc1cc(C)c(C[N@H+](CCO)Cc2ccccc2)c(C)[nH+]1 ZINC000639473815 379418681 /nfs/dbraw/zinc/41/86/81/379418681.db2.gz OLJYOIAOBCQRDF-UHFFFAOYSA-N 2 2 284.403 3.001 20 0 CGADLP Cc1cc(C)c(C[N@@H+](CCO)Cc2ccccc2)c(C)[nH+]1 ZINC000639473815 379418689 /nfs/dbraw/zinc/41/86/89/379418689.db2.gz OLJYOIAOBCQRDF-UHFFFAOYSA-N 2 2 284.403 3.001 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@H](CO)c2ccccc2)c(C)[nH+]1 ZINC000639472931 379419788 /nfs/dbraw/zinc/41/97/88/379419788.db2.gz DELCIBWUMGWEQU-GOSISDBHSA-N 2 2 284.403 3.172 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@H](CO)c2ccccc2)c(C)[nH+]1 ZINC000639472931 379419796 /nfs/dbraw/zinc/41/97/96/379419796.db2.gz DELCIBWUMGWEQU-GOSISDBHSA-N 2 2 284.403 3.172 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000350000122 379473073 /nfs/dbraw/zinc/47/30/73/379473073.db2.gz HTPWVACHNNDIIT-CZUORRHYSA-N 2 2 276.424 3.319 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000350000122 379473079 /nfs/dbraw/zinc/47/30/79/379473079.db2.gz HTPWVACHNNDIIT-CZUORRHYSA-N 2 2 276.424 3.319 20 0 CGADLP Cc1c[nH+]cn1C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000376740973 379598806 /nfs/dbraw/zinc/59/88/06/379598806.db2.gz AXMXBESFPUONLG-UHFFFAOYSA-N 2 2 297.406 3.009 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000279918986 379553906 /nfs/dbraw/zinc/55/39/06/379553906.db2.gz MLMYGCIFZPMALE-OLZOCXBDSA-N 2 2 277.799 3.318 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2cscn2)CC1 ZINC000639986598 379677850 /nfs/dbraw/zinc/67/78/50/379677850.db2.gz PDBUAFZYWSFOFP-UHFFFAOYSA-N 2 2 293.480 3.026 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377771153 379735762 /nfs/dbraw/zinc/73/57/62/379735762.db2.gz DJPNLCYXCZKUHP-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377771153 379735775 /nfs/dbraw/zinc/73/57/75/379735775.db2.gz DJPNLCYXCZKUHP-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377783739 379740835 /nfs/dbraw/zinc/74/08/35/379740835.db2.gz PFOSQKNCZKZBOJ-HOTGVXAUSA-N 2 2 283.419 3.441 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377783739 379740840 /nfs/dbraw/zinc/74/08/40/379740840.db2.gz PFOSQKNCZKZBOJ-HOTGVXAUSA-N 2 2 283.419 3.441 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377786545 379740897 /nfs/dbraw/zinc/74/08/97/379740897.db2.gz VFKWLWKDZFGQBA-HZPDHXFCSA-N 2 2 283.419 3.296 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377786545 379740903 /nfs/dbraw/zinc/74/09/03/379740903.db2.gz VFKWLWKDZFGQBA-HZPDHXFCSA-N 2 2 283.419 3.296 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2)[nH+]1 ZINC000280724548 379772251 /nfs/dbraw/zinc/77/22/51/379772251.db2.gz VEUGJJLCLHBSBG-WKILWMFISA-N 2 2 277.371 3.370 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000280720950 379772302 /nfs/dbraw/zinc/77/23/02/379772302.db2.gz UYHQMUZTWMWGIW-HJWJTTGWSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000280720950 379772306 /nfs/dbraw/zinc/77/23/06/379772306.db2.gz UYHQMUZTWMWGIW-HJWJTTGWSA-N 2 2 270.420 3.147 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000391202949 379908469 /nfs/dbraw/zinc/90/84/69/379908469.db2.gz SAKONVGTGKLHNT-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000391202949 379908478 /nfs/dbraw/zinc/90/84/78/379908478.db2.gz SAKONVGTGKLHNT-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000352795459 379965739 /nfs/dbraw/zinc/96/57/39/379965739.db2.gz JYJGNVZNUSARLU-AWEZNQCLSA-N 2 2 288.370 3.159 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000347848174 218375873 /nfs/dbraw/zinc/37/58/73/218375873.db2.gz AKDCVLIUFOLSSB-GOSISDBHSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000347848174 218375875 /nfs/dbraw/zinc/37/58/75/218375875.db2.gz AKDCVLIUFOLSSB-GOSISDBHSA-N 2 2 288.435 3.215 20 0 CGADLP CC(C)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000352944868 380051782 /nfs/dbraw/zinc/05/17/82/380051782.db2.gz HHIDUSKECLUIAI-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641720703 380062559 /nfs/dbraw/zinc/06/25/59/380062559.db2.gz OKHMBGAVDWOACZ-HOTGVXAUSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353148108 380141556 /nfs/dbraw/zinc/14/15/56/380141556.db2.gz ZNJUULVDLCUKHH-GOSISDBHSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccccc1C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353148108 380141563 /nfs/dbraw/zinc/14/15/63/380141563.db2.gz ZNJUULVDLCUKHH-GOSISDBHSA-N 2 2 272.436 3.445 20 0 CGADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000283976081 380111397 /nfs/dbraw/zinc/11/13/97/380111397.db2.gz GSJONCKMDRZZEV-MRXNPFEDSA-N 2 2 297.402 3.256 20 0 CGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000641801983 380111608 /nfs/dbraw/zinc/11/16/08/380111608.db2.gz XIEJVRFZTYLHOQ-KBPBESRZSA-N 2 2 287.432 3.026 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC(F)(F)CC1 ZINC000353244439 380185439 /nfs/dbraw/zinc/18/54/39/380185439.db2.gz QKQXLUXXLLBMPE-LBPRGKRZSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945811 380247673 /nfs/dbraw/zinc/24/76/73/380247673.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945811 380247678 /nfs/dbraw/zinc/24/76/78/380247678.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000353970149 380256906 /nfs/dbraw/zinc/25/69/06/380256906.db2.gz CDFOENPVLCVJPD-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000353970149 380256910 /nfs/dbraw/zinc/25/69/10/380256910.db2.gz CDFOENPVLCVJPD-CRAIPNDOSA-N 2 2 287.451 3.397 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000353985444 380265498 /nfs/dbraw/zinc/26/54/98/380265498.db2.gz CGMNPDRRIKXIRV-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000353985444 380265506 /nfs/dbraw/zinc/26/55/06/380265506.db2.gz CGMNPDRRIKXIRV-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067115 380210311 /nfs/dbraw/zinc/21/03/11/380210311.db2.gz YCBYNKXLLVZVQG-IFXJQAMLSA-N 2 2 290.410 3.440 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067115 380210319 /nfs/dbraw/zinc/21/03/19/380210319.db2.gz YCBYNKXLLVZVQG-IFXJQAMLSA-N 2 2 290.410 3.440 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)[C@@H](C)C2 ZINC000353621017 380215193 /nfs/dbraw/zinc/21/51/93/380215193.db2.gz KJVKOTUBGUHWDX-WPKBUWHJSA-N 2 2 281.403 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)[C@@H](C)C2 ZINC000353621017 380215197 /nfs/dbraw/zinc/21/51/97/380215197.db2.gz KJVKOTUBGUHWDX-WPKBUWHJSA-N 2 2 281.403 3.099 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000353748934 380221888 /nfs/dbraw/zinc/22/18/88/380221888.db2.gz UBMCVONHNGEWLZ-CQSZACIVSA-N 2 2 281.469 3.071 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000353748934 380221893 /nfs/dbraw/zinc/22/18/93/380221893.db2.gz UBMCVONHNGEWLZ-CQSZACIVSA-N 2 2 281.469 3.071 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccccc3)CCCC2)n1C ZINC000414393996 380221884 /nfs/dbraw/zinc/22/18/84/380221884.db2.gz ORAVNUBLQABZNN-UHFFFAOYSA-N 2 2 298.434 3.045 20 0 CGADLP CO[C@](C)([C@@H](C)[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000414495082 380270833 /nfs/dbraw/zinc/27/08/33/380270833.db2.gz BCRMQURPCCOGOL-RHSMWYFYSA-N 2 2 276.424 3.116 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000354101119 380324766 /nfs/dbraw/zinc/32/47/66/380324766.db2.gz QUSXGCRMSYOKDB-ZDUSSCGKSA-N 2 2 282.815 3.097 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000354101119 380324777 /nfs/dbraw/zinc/32/47/77/380324777.db2.gz QUSXGCRMSYOKDB-ZDUSSCGKSA-N 2 2 282.815 3.097 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354101119 380324782 /nfs/dbraw/zinc/32/47/82/380324782.db2.gz QUSXGCRMSYOKDB-ZDUSSCGKSA-N 2 2 282.815 3.097 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643501709 380324736 /nfs/dbraw/zinc/32/47/36/380324736.db2.gz OKRSRFAQURKWTJ-DLBZAZTESA-N 2 2 258.409 3.260 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000354101119 380324787 /nfs/dbraw/zinc/32/47/87/380324787.db2.gz QUSXGCRMSYOKDB-ZDUSSCGKSA-N 2 2 282.815 3.097 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501670 380325096 /nfs/dbraw/zinc/32/50/96/380325096.db2.gz NNOCYNRZWOOPFQ-DOTOQJQBSA-N 2 2 288.435 3.249 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502841 380326893 /nfs/dbraw/zinc/32/68/93/380326893.db2.gz SRXQNQSBOYWXES-SUMWQHHRSA-N 2 2 288.435 3.149 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]CC[NH2+]C3CC3)oc2cc1C ZINC000643506999 380328179 /nfs/dbraw/zinc/32/81/79/380328179.db2.gz OWUJOKLSFSMWSR-ZDUSSCGKSA-N 2 2 272.392 3.452 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)cc1 ZINC000643507080 380329693 /nfs/dbraw/zinc/32/96/93/380329693.db2.gz RHRBHZWIAOBRCT-QGZVFWFLSA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OCC1CC1 ZINC000414514625 380288998 /nfs/dbraw/zinc/28/89/98/380288998.db2.gz JPOGXBOPPBJBBH-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000414518088 380291947 /nfs/dbraw/zinc/29/19/47/380291947.db2.gz RRDGDAFWCRKNLM-SNVBAGLBSA-N 2 2 271.286 3.012 20 0 CGADLP c1[nH]cc(C2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)[nH+]1 ZINC000643374974 380300631 /nfs/dbraw/zinc/30/06/31/380300631.db2.gz QGVOSTNTJZYNPH-RDJZCZTQSA-N 2 2 267.376 3.145 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000414674701 380365601 /nfs/dbraw/zinc/36/56/01/380365601.db2.gz FARIIRDADBIDGL-IUODEOHRSA-N 2 2 252.377 3.192 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000414674701 380365608 /nfs/dbraw/zinc/36/56/08/380365608.db2.gz FARIIRDADBIDGL-IUODEOHRSA-N 2 2 252.377 3.192 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2s1 ZINC000414769435 380396112 /nfs/dbraw/zinc/39/61/12/380396112.db2.gz NLKXVAJNVKLAOG-BXUZGUMPSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2s1 ZINC000414769435 380396117 /nfs/dbraw/zinc/39/61/17/380396117.db2.gz NLKXVAJNVKLAOG-BXUZGUMPSA-N 2 2 289.448 3.164 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000414688659 380375067 /nfs/dbraw/zinc/37/50/67/380375067.db2.gz DPZRMCVADSMBBW-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000414701040 380379626 /nfs/dbraw/zinc/37/96/26/380379626.db2.gz KBPXHYOXCMWAIZ-AWEZNQCLSA-N 2 2 278.440 3.466 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000414701040 380379634 /nfs/dbraw/zinc/37/96/34/380379634.db2.gz KBPXHYOXCMWAIZ-AWEZNQCLSA-N 2 2 278.440 3.466 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000414715951 380386070 /nfs/dbraw/zinc/38/60/70/380386070.db2.gz XOXUNVXRLIACAN-AWEZNQCLSA-N 2 2 266.816 3.292 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000414755381 380393377 /nfs/dbraw/zinc/39/33/77/380393377.db2.gz HKQUQFZAXVOYLY-RYUDHWBXSA-N 2 2 280.378 3.270 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000414755381 380393384 /nfs/dbraw/zinc/39/33/84/380393384.db2.gz HKQUQFZAXVOYLY-RYUDHWBXSA-N 2 2 280.378 3.270 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000414651967 380352074 /nfs/dbraw/zinc/35/20/74/380352074.db2.gz CKFSFNMZZHOZNV-HNNXBMFYSA-N 2 2 298.430 3.450 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000414651967 380352082 /nfs/dbraw/zinc/35/20/82/380352082.db2.gz CKFSFNMZZHOZNV-HNNXBMFYSA-N 2 2 298.430 3.450 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000643537647 380353683 /nfs/dbraw/zinc/35/36/83/380353683.db2.gz NKJBXMHOFOZCDG-SOUVJXGZSA-N 2 2 282.790 3.081 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000414654679 380353838 /nfs/dbraw/zinc/35/38/38/380353838.db2.gz GKGOPBUWOLLHSJ-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000414654679 380353847 /nfs/dbraw/zinc/35/38/47/380353847.db2.gz GKGOPBUWOLLHSJ-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(F)c2ccccc21 ZINC000643538785 380355645 /nfs/dbraw/zinc/35/56/45/380355645.db2.gz VSVXXABRRMHZEO-AGIUHOORSA-N 2 2 290.357 3.330 20 0 CGADLP c1cc(C[NH2+]CC[NH2+]C2CCCCCC2)cs1 ZINC000414816512 380428063 /nfs/dbraw/zinc/42/80/63/380428063.db2.gz XJLPAAQZIAYFRC-UHFFFAOYSA-N 2 2 252.427 3.150 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cc(F)ccc2F)c[nH+]1 ZINC000354427925 380434891 /nfs/dbraw/zinc/43/48/91/380434891.db2.gz VROWYYLPNBGOLM-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000414826714 380435887 /nfs/dbraw/zinc/43/58/87/380435887.db2.gz GBLJWSUMTRCZCK-OAHLLOKOSA-N 2 2 290.794 3.138 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826212 380436071 /nfs/dbraw/zinc/43/60/71/380436071.db2.gz FCOVKJGTEHYNIK-MRXNPFEDSA-N 2 2 274.795 3.438 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000414827499 380436375 /nfs/dbraw/zinc/43/63/75/380436375.db2.gz HCJZHWZMEXDCNZ-MRXNPFEDSA-N 2 2 274.795 3.438 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1C ZINC000414826455 380436506 /nfs/dbraw/zinc/43/65/06/380436506.db2.gz FNTKGFBTLQTYTI-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000414833801 380442060 /nfs/dbraw/zinc/44/20/60/380442060.db2.gz QGPHWSGNPNVCCT-GUYCJALGSA-N 2 2 272.367 3.219 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414834610 380442673 /nfs/dbraw/zinc/44/26/73/380442673.db2.gz GRUYOUZXRVGHRC-ZDUSSCGKSA-N 2 2 281.469 3.264 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000414837210 380443777 /nfs/dbraw/zinc/44/37/77/380443777.db2.gz JCFYGIPDZAGLRG-AWEZNQCLSA-N 2 2 279.453 3.018 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414838063 380445779 /nfs/dbraw/zinc/44/57/79/380445779.db2.gz YMSITLBKBCZUKH-UHFFFAOYSA-N 2 2 284.403 3.061 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414842818 380448693 /nfs/dbraw/zinc/44/86/93/380448693.db2.gz ZPGVRLVAYKMMLI-MRXNPFEDSA-N 2 2 272.417 3.198 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CCCCC1 ZINC000414852309 380453551 /nfs/dbraw/zinc/45/35/51/380453551.db2.gz QTIQTDGDMQEIIZ-INIZCTEOSA-N 2 2 272.392 3.430 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CCCCC1 ZINC000414852310 380453815 /nfs/dbraw/zinc/45/38/15/380453815.db2.gz QTIQTDGDMQEIIZ-MRXNPFEDSA-N 2 2 272.392 3.430 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2c1 ZINC000414774629 380398825 /nfs/dbraw/zinc/39/88/25/380398825.db2.gz YQRRHLCCOPUUGG-GXTWGEPZSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2c1 ZINC000414774629 380398831 /nfs/dbraw/zinc/39/88/31/380398831.db2.gz YQRRHLCCOPUUGG-GXTWGEPZSA-N 2 2 288.391 3.001 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354330555 380402641 /nfs/dbraw/zinc/40/26/41/380402641.db2.gz ASDIOSPWTVAYBF-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354330555 380402647 /nfs/dbraw/zinc/40/26/47/380402647.db2.gz ASDIOSPWTVAYBF-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2cccc(O)c2)c[nH+]1 ZINC000354336098 380404216 /nfs/dbraw/zinc/40/42/16/380404216.db2.gz VOSFNKMZMXOLGI-CQSZACIVSA-N 2 2 270.376 3.379 20 0 CGADLP c1csc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414801664 380414987 /nfs/dbraw/zinc/41/49/87/380414987.db2.gz HKDIDDQJCSFPRF-UHFFFAOYSA-N 2 2 252.427 3.150 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000414926011 380490949 /nfs/dbraw/zinc/49/09/49/380490949.db2.gz JOHHWRRYLPZOQO-CQSZACIVSA-N 2 2 295.496 3.209 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CCO)C2CCCCC2)c[nH+]1 ZINC000354577099 380491809 /nfs/dbraw/zinc/49/18/09/380491809.db2.gz WNRNEAFRJHETLQ-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1ccc(CCCNc2ccc(C)[nH+]c2C)c[nH+]1 ZINC000354588136 380495329 /nfs/dbraw/zinc/49/53/29/380495329.db2.gz VOCRVPUJOWBSCA-UHFFFAOYSA-N 2 2 255.365 3.447 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414940733 380498038 /nfs/dbraw/zinc/49/80/38/380498038.db2.gz XWLVEORYASPHQG-NOZJJQNGSA-N 2 2 273.207 3.081 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414941396 380499719 /nfs/dbraw/zinc/49/97/19/380499719.db2.gz AQIBZFZKMPAXQS-KUHUBIRLSA-N 2 2 298.405 3.233 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414865952 380464790 /nfs/dbraw/zinc/46/47/90/380464790.db2.gz DOSFENHAGAHXPM-CQSZACIVSA-N 2 2 272.417 3.175 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414864892 380464916 /nfs/dbraw/zinc/46/49/16/380464916.db2.gz KMEGTFOTHBHQNP-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2nc(C3CC3)cs2)c[nH+]1 ZINC000354516749 380466131 /nfs/dbraw/zinc/46/61/31/380466131.db2.gz VKVNHATZBRMYNI-UHFFFAOYSA-N 2 2 287.432 3.446 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417306818 380589599 /nfs/dbraw/zinc/58/95/99/380589599.db2.gz ARVIODQWKBMCAS-MELADBBJSA-N 2 2 266.454 3.170 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417306818 380589607 /nfs/dbraw/zinc/58/96/07/380589607.db2.gz ARVIODQWKBMCAS-MELADBBJSA-N 2 2 266.454 3.170 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccccc4O[C@@H]3C)n2c1 ZINC000288453109 197082057 /nfs/dbraw/zinc/08/20/57/197082057.db2.gz DDUOSXRMYUJYIE-FZKQIMNGSA-N 2 2 293.370 3.255 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646050554 380812753 /nfs/dbraw/zinc/81/27/53/380812753.db2.gz HVVBRUCZVWNDJA-CABCVRRESA-N 2 2 261.413 3.031 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646050554 380812759 /nfs/dbraw/zinc/81/27/59/380812759.db2.gz HVVBRUCZVWNDJA-CABCVRRESA-N 2 2 261.413 3.031 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340927 380883167 /nfs/dbraw/zinc/88/31/67/380883167.db2.gz JCLWBKDESPBOAT-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340927 380883176 /nfs/dbraw/zinc/88/31/76/380883176.db2.gz JCLWBKDESPBOAT-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340927 380883186 /nfs/dbraw/zinc/88/31/86/380883186.db2.gz JCLWBKDESPBOAT-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340927 380883198 /nfs/dbraw/zinc/88/31/98/380883198.db2.gz JCLWBKDESPBOAT-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000572326962 322331600 /nfs/dbraw/zinc/33/16/00/322331600.db2.gz OLVFXIWKRAIPIC-UONOGXRCSA-N 2 2 263.429 3.463 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000572326962 322331604 /nfs/dbraw/zinc/33/16/04/322331604.db2.gz OLVFXIWKRAIPIC-UONOGXRCSA-N 2 2 263.429 3.463 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC23CCSCC3)c[nH+]1 ZINC000421368277 380906380 /nfs/dbraw/zinc/90/63/80/380906380.db2.gz BUAXXIMWHVPWLY-MRXNPFEDSA-N 2 2 290.476 3.446 20 0 CGADLP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986936 380974106 /nfs/dbraw/zinc/97/41/06/380974106.db2.gz ZZPCRWWXMDVGLW-ZJPYXAASSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986936 380974110 /nfs/dbraw/zinc/97/41/10/380974110.db2.gz ZZPCRWWXMDVGLW-ZJPYXAASSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000356986936 380974117 /nfs/dbraw/zinc/97/41/17/380974117.db2.gz ZZPCRWWXMDVGLW-ZJPYXAASSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCO1 ZINC000356986936 380974124 /nfs/dbraw/zinc/97/41/24/380974124.db2.gz ZZPCRWWXMDVGLW-ZJPYXAASSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000334787812 207076459 /nfs/dbraw/zinc/07/64/59/207076459.db2.gz YGOKNNRBKRZZSV-BXUZGUMPSA-N 2 2 276.355 3.144 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000334787812 207076460 /nfs/dbraw/zinc/07/64/60/207076460.db2.gz YGOKNNRBKRZZSV-BXUZGUMPSA-N 2 2 276.355 3.144 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)C[N@@H+]1C1CC1 ZINC000357788496 381283453 /nfs/dbraw/zinc/28/34/53/381283453.db2.gz MAKWAMONZYPOQA-BFYDXBDKSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)C[N@H+]1C1CC1 ZINC000357788496 381283462 /nfs/dbraw/zinc/28/34/62/381283462.db2.gz MAKWAMONZYPOQA-BFYDXBDKSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[N@@H+]1C1CC1 ZINC000357788506 381283779 /nfs/dbraw/zinc/28/37/79/381283779.db2.gz MAKWAMONZYPOQA-VYDXJSESSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[N@H+]1C1CC1 ZINC000357788506 381283789 /nfs/dbraw/zinc/28/37/89/381283789.db2.gz MAKWAMONZYPOQA-VYDXJSESSA-N 2 2 292.467 3.083 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000359662064 381360843 /nfs/dbraw/zinc/36/08/43/381360843.db2.gz IVJVQPMJUCLBOA-LNSITVRQSA-N 2 2 264.438 3.129 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000359662064 381360846 /nfs/dbraw/zinc/36/08/46/381360846.db2.gz IVJVQPMJUCLBOA-LNSITVRQSA-N 2 2 264.438 3.129 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000360044030 381421174 /nfs/dbraw/zinc/42/11/74/381421174.db2.gz BBIQNJDCYKHDCZ-GOEBONIOSA-N 2 2 297.402 3.308 20 0 CGADLP CCCC[C@@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360238292 381492461 /nfs/dbraw/zinc/49/24/61/381492461.db2.gz MLAQNLCZSVYEHD-OAHLLOKOSA-N 2 2 284.488 3.434 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458966 381550772 /nfs/dbraw/zinc/55/07/72/381550772.db2.gz ITUOJDLESMQFAF-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458966 381550777 /nfs/dbraw/zinc/55/07/77/381550777.db2.gz ITUOJDLESMQFAF-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)CC12CCCCC2 ZINC000360616934 381595446 /nfs/dbraw/zinc/59/54/46/381595446.db2.gz GWBGECWLKWBAGN-OAHLLOKOSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)CC12CCCCC2 ZINC000360616934 381595451 /nfs/dbraw/zinc/59/54/51/381595451.db2.gz GWBGECWLKWBAGN-OAHLLOKOSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]1 ZINC000334868003 207215531 /nfs/dbraw/zinc/21/55/31/207215531.db2.gz HQXYJQGHCADGHZ-CBAPKCEASA-N 2 2 279.236 3.285 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cncs1 ZINC000361493722 381772572 /nfs/dbraw/zinc/77/25/72/381772572.db2.gz UTSBCFFFJIEDAO-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000362913546 382145211 /nfs/dbraw/zinc/14/52/11/382145211.db2.gz NWGQSFRQTNXAQV-HNNXBMFYSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000362913546 382145217 /nfs/dbraw/zinc/14/52/17/382145217.db2.gz NWGQSFRQTNXAQV-HNNXBMFYSA-N 2 2 262.441 3.316 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000365089228 382282474 /nfs/dbraw/zinc/28/24/74/382282474.db2.gz PJXGUQDFJQWPRM-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000365089228 382282481 /nfs/dbraw/zinc/28/24/81/382282481.db2.gz PJXGUQDFJQWPRM-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103009 382364645 /nfs/dbraw/zinc/36/46/45/382364645.db2.gz RJLFOTUXFGRFII-NFAWXSAZSA-N 2 2 299.418 3.057 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103009 382364651 /nfs/dbraw/zinc/36/46/51/382364651.db2.gz RJLFOTUXFGRFII-NFAWXSAZSA-N 2 2 299.418 3.057 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249325139 542339589 /nfs/dbraw/zinc/33/95/89/542339589.db2.gz SRDHUSCXRNHJKN-WFASDCNBSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249325139 542339591 /nfs/dbraw/zinc/33/95/91/542339591.db2.gz SRDHUSCXRNHJKN-WFASDCNBSA-N 2 2 294.439 3.437 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]1 ZINC000335258481 208044654 /nfs/dbraw/zinc/04/46/54/208044654.db2.gz JGXQRFVPDVFAPQ-WDEREUQCSA-N 2 2 278.783 3.316 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(C(C)C)nc1C ZINC000349408890 218863024 /nfs/dbraw/zinc/86/30/24/218863024.db2.gz QYHBSQSBUNSAQH-UHFFFAOYSA-N 2 2 294.487 3.326 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(C(C)C)nc1C ZINC000349408890 218863027 /nfs/dbraw/zinc/86/30/27/218863027.db2.gz QYHBSQSBUNSAQH-UHFFFAOYSA-N 2 2 294.487 3.326 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749523 220300320 /nfs/dbraw/zinc/30/03/20/220300320.db2.gz LNOPLHWXAYLUTN-WBMJQRKESA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749523 220300323 /nfs/dbraw/zinc/30/03/23/220300323.db2.gz LNOPLHWXAYLUTN-WBMJQRKESA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749523 220300326 /nfs/dbraw/zinc/30/03/26/220300326.db2.gz LNOPLHWXAYLUTN-WBMJQRKESA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749523 220300330 /nfs/dbraw/zinc/30/03/30/220300330.db2.gz LNOPLHWXAYLUTN-WBMJQRKESA-N 2 2 282.378 3.269 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000289331580 197299412 /nfs/dbraw/zinc/29/94/12/197299412.db2.gz UYNVAAWHIZTJTO-UHFFFAOYSA-N 3 2 289.467 3.175 20 0 CGADLP COC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000423254298 533089970 /nfs/dbraw/zinc/08/99/70/533089970.db2.gz ZVHMPXXHWDBQIO-SJORKVTESA-N 2 2 278.440 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN(C(C)C)C(C)C ZINC000289286585 197285039 /nfs/dbraw/zinc/28/50/39/197285039.db2.gz PEKHKPKKWTUPJD-UHFFFAOYSA-N 2 2 277.456 3.031 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000289209863 197264007 /nfs/dbraw/zinc/26/40/07/197264007.db2.gz IMHGMGKFFKZHQQ-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000289209863 197264009 /nfs/dbraw/zinc/26/40/09/197264009.db2.gz IMHGMGKFFKZHQQ-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc(F)cc(F)c1 ZINC000289079717 197228843 /nfs/dbraw/zinc/22/88/43/197228843.db2.gz DEGWDWZOZBIGBY-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)o1 ZINC000289041690 197220069 /nfs/dbraw/zinc/22/00/69/197220069.db2.gz HTSRFDLDLDUERX-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)o1 ZINC000289041690 197220070 /nfs/dbraw/zinc/22/00/70/197220070.db2.gz HTSRFDLDLDUERX-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP COCC[C@H]1CCCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750167 285177085 /nfs/dbraw/zinc/17/70/85/285177085.db2.gz BGYINYIJQYWSLQ-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750167 285177087 /nfs/dbraw/zinc/17/70/87/285177087.db2.gz BGYINYIJQYWSLQ-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450750167 285177089 /nfs/dbraw/zinc/17/70/89/285177089.db2.gz BGYINYIJQYWSLQ-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450750167 285177090 /nfs/dbraw/zinc/17/70/90/285177090.db2.gz BGYINYIJQYWSLQ-QZTJIDSGSA-N 2 2 296.499 3.388 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000360920642 285200376 /nfs/dbraw/zinc/20/03/76/285200376.db2.gz YJFKKPPHBRPVMG-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000360920642 285200378 /nfs/dbraw/zinc/20/03/78/285200378.db2.gz YJFKKPPHBRPVMG-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3c4ccccc4O[C@H]3C)n2c1 ZINC000288453115 197082392 /nfs/dbraw/zinc/08/23/92/197082392.db2.gz DDUOSXRMYUJYIE-SCLBCKFNSA-N 2 2 293.370 3.255 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000423266426 533173372 /nfs/dbraw/zinc/17/33/72/533173372.db2.gz SAHJBHPDHJKUTA-SJCJKPOMSA-N 2 2 294.414 3.393 20 0 CGADLP Cc1[nH+]cccc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000311791607 542430741 /nfs/dbraw/zinc/43/07/41/542430741.db2.gz ZYRHFIYQZOUUDH-NWDGAFQWSA-N 2 2 255.365 3.006 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328400484 542444689 /nfs/dbraw/zinc/44/46/89/542444689.db2.gz ZWTLONRVMWZUAN-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328400484 542444694 /nfs/dbraw/zinc/44/46/94/542444694.db2.gz ZWTLONRVMWZUAN-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP CSc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)ccn1 ZINC000354643936 220858827 /nfs/dbraw/zinc/85/88/27/220858827.db2.gz BMBAUIVFMPYPLR-UHFFFAOYSA-N 2 2 287.432 3.229 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348076123 542513824 /nfs/dbraw/zinc/51/38/24/542513824.db2.gz NCLYCEKLLMHCII-HUUCEWRRSA-N 2 2 269.392 3.123 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000348087537 542514110 /nfs/dbraw/zinc/51/41/10/542514110.db2.gz POOHTGPYQUYDFF-CVEARBPZSA-N 2 2 267.376 3.151 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348115777 542515388 /nfs/dbraw/zinc/51/53/88/542515388.db2.gz ZXDBBCMATNYGBT-YESZJQIVSA-N 2 2 258.409 3.068 20 0 CGADLP Cn1c[nH+]cc1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000357592594 542575387 /nfs/dbraw/zinc/57/53/87/542575387.db2.gz JCCAZZMCJTXISN-UHFFFAOYSA-N 2 2 272.739 3.234 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000423122776 533443296 /nfs/dbraw/zinc/44/32/96/533443296.db2.gz CXJMKXPNXSAIHV-PXAZEXFGSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc2c(s1)CCCC2 ZINC000423503574 533510835 /nfs/dbraw/zinc/51/08/35/533510835.db2.gz MVYYCAZMMYRXEL-RISCZKNCSA-N 2 2 293.480 3.190 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Cl ZINC000423384040 533547058 /nfs/dbraw/zinc/54/70/58/533547058.db2.gz PXYPYNXNAYNABC-FOGDFJRCSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]1 ZINC000423369876 533657090 /nfs/dbraw/zinc/65/70/90/533657090.db2.gz CJAJXDRRCRFZFK-BVGQSLNGSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)C[N@H+](Cc2ccccc2)C1 ZINC000425354561 533657865 /nfs/dbraw/zinc/65/78/65/533657865.db2.gz NCKLEOFNOMMYQR-DJIMGWMZSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)C[N@@H+](Cc2ccccc2)C1 ZINC000425354561 533657876 /nfs/dbraw/zinc/65/78/76/533657876.db2.gz NCKLEOFNOMMYQR-DJIMGWMZSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380300960 542595175 /nfs/dbraw/zinc/59/51/75/542595175.db2.gz HUSAXUAESCTERL-WOSRLPQWSA-N 2 2 287.432 3.417 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC000388670332 542605459 /nfs/dbraw/zinc/60/54/59/542605459.db2.gz BPIFEWLLAZUTIU-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC000388670332 542605462 /nfs/dbraw/zinc/60/54/62/542605462.db2.gz BPIFEWLLAZUTIU-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234244 542607259 /nfs/dbraw/zinc/60/72/59/542607259.db2.gz JHZOZGHZWGOAHV-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234244 542607260 /nfs/dbraw/zinc/60/72/60/542607260.db2.gz JHZOZGHZWGOAHV-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069382568 392172618 /nfs/dbraw/zinc/17/26/18/392172618.db2.gz YUJQDBMXXFZMMG-STQMWFEESA-N 2 2 289.345 3.374 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000361739900 392309316 /nfs/dbraw/zinc/30/93/16/392309316.db2.gz BBORZJZBLAIYAS-GUYCJALGSA-N 2 2 286.419 3.214 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCc2c(C)oc3ccccc32)[C@@H](C)C1 ZINC000361739900 392309323 /nfs/dbraw/zinc/30/93/23/392309323.db2.gz BBORZJZBLAIYAS-GUYCJALGSA-N 2 2 286.419 3.214 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccoc1 ZINC000285853610 392340341 /nfs/dbraw/zinc/34/03/41/392340341.db2.gz YBOHDFZYKZYAEM-HNNXBMFYSA-N 2 2 261.369 3.243 20 0 CGADLP CC1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000434757294 542655896 /nfs/dbraw/zinc/65/58/96/542655896.db2.gz MSWQXXCUBLSPLA-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109794262 392374305 /nfs/dbraw/zinc/37/43/05/392374305.db2.gz HLSFNNROQPNQKJ-UHFFFAOYSA-N 2 2 255.365 3.029 20 0 CGADLP CC(C)(C)c1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000109795409 392375027 /nfs/dbraw/zinc/37/50/27/392375027.db2.gz FGOXGVZYKNLIDJ-UHFFFAOYSA-N 2 2 288.395 3.006 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000154537119 392535409 /nfs/dbraw/zinc/53/54/09/392535409.db2.gz BHHYBGAPRWOXBK-IUODEOHRSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000154537119 392535418 /nfs/dbraw/zinc/53/54/18/392535418.db2.gz BHHYBGAPRWOXBK-IUODEOHRSA-N 2 2 294.826 3.238 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439686 392476397 /nfs/dbraw/zinc/47/63/97/392476397.db2.gz WHLWRYNNUXUTTK-MRXNPFEDSA-N 2 2 285.366 3.136 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000296259448 392555980 /nfs/dbraw/zinc/55/59/80/392555980.db2.gz DFIQFLBYIZJHOI-PRTUASRFSA-N 2 2 262.397 3.172 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000296259448 392555982 /nfs/dbraw/zinc/55/59/82/392555982.db2.gz DFIQFLBYIZJHOI-PRTUASRFSA-N 2 2 262.397 3.172 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000163298370 392604600 /nfs/dbraw/zinc/60/46/00/392604600.db2.gz BJKOOSJNNMDJMD-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000163298370 392604604 /nfs/dbraw/zinc/60/46/04/392604604.db2.gz BJKOOSJNNMDJMD-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP CC(C)CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000372643498 392626513 /nfs/dbraw/zinc/62/65/13/392626513.db2.gz YHQRRBCDILZGCT-OAHLLOKOSA-N 2 2 263.429 3.111 20 0 CGADLP CC(C)CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000372643498 392626514 /nfs/dbraw/zinc/62/65/14/392626514.db2.gz YHQRRBCDILZGCT-OAHLLOKOSA-N 2 2 263.429 3.111 20 0 CGADLP FC(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553665 392767463 /nfs/dbraw/zinc/76/74/63/392767463.db2.gz GQGLNZMYZJHPDO-AWEZNQCLSA-N 2 2 280.362 3.389 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553957 392767846 /nfs/dbraw/zinc/76/78/46/392767846.db2.gz NVBZMTZUGMEPMW-QGZVFWFLSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccs1 ZINC000375268838 392755616 /nfs/dbraw/zinc/75/56/16/392755616.db2.gz WMMLISYKDXRWPC-LLVKDONJSA-N 2 2 261.394 3.132 20 0 CGADLP C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375401992 392779320 /nfs/dbraw/zinc/77/93/20/392779320.db2.gz GUKZGZLALWAERF-AWEZNQCLSA-N 2 2 282.391 3.032 20 0 CGADLP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375401992 392779328 /nfs/dbraw/zinc/77/93/28/392779328.db2.gz GUKZGZLALWAERF-AWEZNQCLSA-N 2 2 282.391 3.032 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486563 392796492 /nfs/dbraw/zinc/79/64/92/392796492.db2.gz HQVUFECJZUNQHA-HNNXBMFYSA-N 2 2 280.362 3.244 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)Cc2ccccc2C1 ZINC000510713894 392811388 /nfs/dbraw/zinc/81/13/88/392811388.db2.gz AEXQWNVECAKBQA-RBUKOAKNSA-N 2 2 298.474 3.254 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337441491 392886207 /nfs/dbraw/zinc/88/62/07/392886207.db2.gz GGHNZLAIZNOLDI-QGZVFWFLSA-N 2 2 287.382 3.071 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000337441491 392886211 /nfs/dbraw/zinc/88/62/11/392886211.db2.gz GGHNZLAIZNOLDI-QGZVFWFLSA-N 2 2 287.382 3.071 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCC3)Cc2ccccc2C1 ZINC000337460129 392886713 /nfs/dbraw/zinc/88/67/13/392886713.db2.gz KBZQOAVRPRHUPA-QGZVFWFLSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000648052769 392887872 /nfs/dbraw/zinc/88/78/72/392887872.db2.gz IAVJOIIEWIDGSP-GOSISDBHSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000648052769 392887880 /nfs/dbraw/zinc/88/78/80/392887880.db2.gz IAVJOIIEWIDGSP-GOSISDBHSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000519772292 392893781 /nfs/dbraw/zinc/89/37/81/392893781.db2.gz SACKNKZKEGNQNC-AWEZNQCLSA-N 2 2 292.386 3.414 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCCC12CC2)Cc1ccccc1 ZINC000519781745 392895324 /nfs/dbraw/zinc/89/53/24/392895324.db2.gz USORYPWIFYGPRY-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC12CC2)Cc1ccccc1 ZINC000519781745 392895330 /nfs/dbraw/zinc/89/53/30/392895330.db2.gz USORYPWIFYGPRY-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccnc2C)CC1 ZINC000376042978 392856728 /nfs/dbraw/zinc/85/67/28/392856728.db2.gz GFKRRUOPDXQBLI-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2scnc2C2CC2)CC1 ZINC000495160683 542723180 /nfs/dbraw/zinc/72/31/80/542723180.db2.gz XITUOOGGXMLPRH-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2scnc2C2CC2)CC1 ZINC000495160683 542723183 /nfs/dbraw/zinc/72/31/83/542723183.db2.gz XITUOOGGXMLPRH-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340443286 392973630 /nfs/dbraw/zinc/97/36/30/392973630.db2.gz GAPNBDSIEABRLW-DQEVTTJGSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000340443286 392973635 /nfs/dbraw/zinc/97/36/35/392973635.db2.gz GAPNBDSIEABRLW-DQEVTTJGSA-N 2 2 284.447 3.253 20 0 CGADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(Cl)c1 ZINC000404509061 392968063 /nfs/dbraw/zinc/96/80/63/392968063.db2.gz CJYXVQUGMPKGHK-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341911462 392994050 /nfs/dbraw/zinc/99/40/50/392994050.db2.gz UUBHLLUMTMFOEM-DFBGVHRSSA-N 2 2 294.826 3.093 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341911462 392994056 /nfs/dbraw/zinc/99/40/56/392994056.db2.gz UUBHLLUMTMFOEM-DFBGVHRSSA-N 2 2 294.826 3.093 20 0 CGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236929009 393033933 /nfs/dbraw/zinc/03/39/33/393033933.db2.gz TZVMTDXJNDNWPV-LRDDRELGSA-N 2 2 299.374 3.186 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)C1CCCC1 ZINC000415043115 393108914 /nfs/dbraw/zinc/10/89/14/393108914.db2.gz AETBVDZFLUZQRN-CYBMUJFWSA-N 2 2 293.411 3.043 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000415039457 393109385 /nfs/dbraw/zinc/10/93/85/393109385.db2.gz NCVYMZWQFAOTMC-CQSZACIVSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467550508 393105385 /nfs/dbraw/zinc/10/53/85/393105385.db2.gz KUIFVUAMGFOPBE-AWEZNQCLSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000648480322 393053842 /nfs/dbraw/zinc/05/38/42/393053842.db2.gz GZHSNWNZJIMQLQ-OLMNPRSZSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000648480322 393053845 /nfs/dbraw/zinc/05/38/45/393053845.db2.gz GZHSNWNZJIMQLQ-OLMNPRSZSA-N 2 2 284.447 3.149 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000415036477 393107293 /nfs/dbraw/zinc/10/72/93/393107293.db2.gz JYUWYAXRVZXRCM-QGZVFWFLSA-N 2 2 288.435 3.238 20 0 CGADLP C[NH2+]Cc1ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)cc1 ZINC000414978868 393077306 /nfs/dbraw/zinc/07/73/06/393077306.db2.gz SQYHWKHBUMRVPJ-UHFFFAOYSA-N 2 2 298.434 3.258 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000415043977 393110730 /nfs/dbraw/zinc/11/07/30/393110730.db2.gz RUAVDGIJLIYYFD-LBPRGKRZSA-N 2 2 290.304 3.075 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CCC1CC1 ZINC000415061501 393121507 /nfs/dbraw/zinc/12/15/07/393121507.db2.gz CUSMUCLWFSBWJY-GUYCJALGSA-N 2 2 260.425 3.417 20 0 CGADLP COc1ccc2oc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cc2c1 ZINC000415063059 393123900 /nfs/dbraw/zinc/12/39/00/393123900.db2.gz GVNPXXWOMZGSOI-INIZCTEOSA-N 2 2 288.391 3.049 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000415136640 393156484 /nfs/dbraw/zinc/15/64/84/393156484.db2.gz XLTXSKCDPVWSEL-ZJUUUORDSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000415136640 393156491 /nfs/dbraw/zinc/15/64/91/393156491.db2.gz XLTXSKCDPVWSEL-ZJUUUORDSA-N 2 2 292.370 3.184 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000352836829 393211993 /nfs/dbraw/zinc/21/19/93/393211993.db2.gz AOBPJWVCSKXDGR-JCYILVPMSA-N 2 2 264.457 3.373 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000352836829 393211999 /nfs/dbraw/zinc/21/19/99/393211999.db2.gz AOBPJWVCSKXDGR-JCYILVPMSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000475511539 393405261 /nfs/dbraw/zinc/40/52/61/393405261.db2.gz SLYRNLBNGFXPCE-PNPHSEOMSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000475511539 393405265 /nfs/dbraw/zinc/40/52/65/393405265.db2.gz SLYRNLBNGFXPCE-PNPHSEOMSA-N 2 2 288.410 3.418 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000474895891 393355457 /nfs/dbraw/zinc/35/54/57/393355457.db2.gz YEHVCDDGTTXYME-DOTOQJQBSA-N 2 2 262.441 3.356 20 0 CGADLP Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@H]2CC[NH2+]C2)c1 ZINC000649412600 393415472 /nfs/dbraw/zinc/41/54/72/393415472.db2.gz WPAZPJRTSDTWCJ-SFHVURJKSA-N 2 2 295.430 3.002 20 0 CGADLP Cc1cccc(C[N@H+](Cc2ccccn2)C[C@H]2CC[NH2+]C2)c1 ZINC000649412600 393415476 /nfs/dbraw/zinc/41/54/76/393415476.db2.gz WPAZPJRTSDTWCJ-SFHVURJKSA-N 2 2 295.430 3.002 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC[C@@H]1[NH3+] ZINC000649416488 393417128 /nfs/dbraw/zinc/41/71/28/393417128.db2.gz BTMICCHKIMUOSE-XQQFMLRXSA-N 2 2 279.428 3.092 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC[C@@H]1[NH3+] ZINC000649416488 393417131 /nfs/dbraw/zinc/41/71/31/393417131.db2.gz BTMICCHKIMUOSE-XQQFMLRXSA-N 2 2 279.428 3.092 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccsc3)cn21 ZINC000647262362 393421360 /nfs/dbraw/zinc/42/13/60/393421360.db2.gz YGLFMPQZKGZGIA-UHFFFAOYSA-N 2 2 271.389 3.037 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391439 393482540 /nfs/dbraw/zinc/48/25/40/393482540.db2.gz IHUMXEFFBXZMCZ-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420391439 393482548 /nfs/dbraw/zinc/48/25/48/393482548.db2.gz IHUMXEFFBXZMCZ-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000429051131 393467682 /nfs/dbraw/zinc/46/76/82/393467682.db2.gz ZAHROWHQFYBKNW-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000429051131 393467687 /nfs/dbraw/zinc/46/76/87/393467687.db2.gz ZAHROWHQFYBKNW-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000429051131 393467697 /nfs/dbraw/zinc/46/76/97/393467697.db2.gz ZAHROWHQFYBKNW-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000429051131 393467701 /nfs/dbraw/zinc/46/77/01/393467701.db2.gz ZAHROWHQFYBKNW-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429036760 393468567 /nfs/dbraw/zinc/46/85/67/393468567.db2.gz REMDFHAPWGAWGA-IRXDYDNUSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429036760 393468573 /nfs/dbraw/zinc/46/85/73/393468573.db2.gz REMDFHAPWGAWGA-IRXDYDNUSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429036760 393468581 /nfs/dbraw/zinc/46/85/81/393468581.db2.gz REMDFHAPWGAWGA-IRXDYDNUSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429036760 393468590 /nfs/dbraw/zinc/46/85/90/393468590.db2.gz REMDFHAPWGAWGA-IRXDYDNUSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1cccnc1)C1(C[NH3+])CCC1 ZINC000420334324 393469998 /nfs/dbraw/zinc/46/99/98/393469998.db2.gz UFHFTVZSGRDJFD-UHFFFAOYSA-N 2 2 297.402 3.187 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)C1(C[NH3+])CCC1 ZINC000420334324 393470003 /nfs/dbraw/zinc/47/00/03/393470003.db2.gz UFHFTVZSGRDJFD-UHFFFAOYSA-N 2 2 297.402 3.187 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364213 393474530 /nfs/dbraw/zinc/47/45/30/393474530.db2.gz IKGUSJUMEZUOOD-DLBZAZTESA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364213 393474534 /nfs/dbraw/zinc/47/45/34/393474534.db2.gz IKGUSJUMEZUOOD-DLBZAZTESA-N 2 2 294.389 3.491 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000420369850 393476304 /nfs/dbraw/zinc/47/63/04/393476304.db2.gz JCWWVGRBIYFXAX-LLVKDONJSA-N 2 2 284.856 3.244 20 0 CGADLP Cc1cc[nH+]c(NC2CCC([NH+](C)C)CC2)c1Cl ZINC000420620100 393508109 /nfs/dbraw/zinc/50/81/09/393508109.db2.gz AXUIBXZGQSFYKH-UHFFFAOYSA-N 2 2 267.804 3.328 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C[C@@H]2C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000488431259 393510555 /nfs/dbraw/zinc/51/05/55/393510555.db2.gz KPIODUYTUQXWRL-SZMVWBNQSA-N 2 2 272.436 3.378 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000488430341 393511084 /nfs/dbraw/zinc/51/10/84/393511084.db2.gz GLXOPMKQBOKOAO-QQFBHYJXSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C[C@@H]2C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000488431257 393511157 /nfs/dbraw/zinc/51/11/57/393511157.db2.gz KPIODUYTUQXWRL-NJAFHUGGSA-N 2 2 272.436 3.378 20 0 CGADLP CC(C)C1CC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000488447473 393516994 /nfs/dbraw/zinc/51/69/94/393516994.db2.gz WHWUBMYRFVSJKM-UHFFFAOYSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCCCCC1 ZINC000488460759 393522255 /nfs/dbraw/zinc/52/22/55/393522255.db2.gz PFIQFHVQNCQGGN-OAGGEKHMSA-N 2 2 252.446 3.133 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+](C2CCC2)C2CCC2)s1 ZINC000430117170 393525818 /nfs/dbraw/zinc/52/58/18/393525818.db2.gz BXWQITRVBGCQHU-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)o2)cc1 ZINC000430557997 393574918 /nfs/dbraw/zinc/57/49/18/393574918.db2.gz PDOOOZDLRNYEJV-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)o2)cc1 ZINC000430557997 393574929 /nfs/dbraw/zinc/57/49/29/393574929.db2.gz PDOOOZDLRNYEJV-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CC(C)(C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000666787613 542816211 /nfs/dbraw/zinc/81/62/11/542816211.db2.gz NXJJHJKGSKZVHX-QGZVFWFLSA-N 2 2 268.404 3.254 20 0 CGADLP c1cc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cs1 ZINC000666855238 542821059 /nfs/dbraw/zinc/82/10/59/542821059.db2.gz GSVRGOPLSDLUPP-GFCCVEGCSA-N 2 2 293.461 3.103 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360854595 393598921 /nfs/dbraw/zinc/59/89/21/393598921.db2.gz KPVRQQDIEWCRCU-VXGBXAGGSA-N 2 2 284.831 3.339 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000360854589 393599229 /nfs/dbraw/zinc/59/92/29/393599229.db2.gz KPVRQQDIEWCRCU-NEPJUHHUSA-N 2 2 284.831 3.339 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C)CC1 ZINC000360865732 393601005 /nfs/dbraw/zinc/60/10/05/393601005.db2.gz RLOZATPIZBEOJI-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C)CC1 ZINC000360865732 393601007 /nfs/dbraw/zinc/60/10/07/393601007.db2.gz RLOZATPIZBEOJI-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361116010 393677733 /nfs/dbraw/zinc/67/77/33/393677733.db2.gz ZXDUUPFDSPXIDE-COXVUDFISA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361116010 393677735 /nfs/dbraw/zinc/67/77/35/393677735.db2.gz ZXDUUPFDSPXIDE-COXVUDFISA-N 2 2 258.409 3.068 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000424184483 393677718 /nfs/dbraw/zinc/67/77/18/393677718.db2.gz XOTRYPUPPZXTPO-ZBEGNZNMSA-N 2 2 289.354 3.215 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000360896601 393609975 /nfs/dbraw/zinc/60/99/75/393609975.db2.gz HQCBEZIDCRIMOI-BHYGNILZSA-N 2 2 290.451 3.466 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000360896601 393609980 /nfs/dbraw/zinc/60/99/80/393609980.db2.gz HQCBEZIDCRIMOI-BHYGNILZSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000432833429 393648722 /nfs/dbraw/zinc/64/87/22/393648722.db2.gz WPYVZDIHEKCIQC-JZXOWHBKSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCC2CCOCC2)C1 ZINC000432833429 393648725 /nfs/dbraw/zinc/64/87/25/393648725.db2.gz WPYVZDIHEKCIQC-JZXOWHBKSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000432833429 393648730 /nfs/dbraw/zinc/64/87/30/393648730.db2.gz WPYVZDIHEKCIQC-JZXOWHBKSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833429 393648732 /nfs/dbraw/zinc/64/87/32/393648732.db2.gz WPYVZDIHEKCIQC-JZXOWHBKSA-N 2 2 294.483 3.140 20 0 CGADLP FC(F)(F)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361056355 393659006 /nfs/dbraw/zinc/65/90/06/393659006.db2.gz HBOXGGKWODYHQM-UHFFFAOYSA-N 2 2 289.345 3.328 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCCO2 ZINC000423322676 393661154 /nfs/dbraw/zinc/66/11/54/393661154.db2.gz ODGALQCGUABNFW-GJZGRUSLSA-N 2 2 294.826 3.189 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437965172 393720706 /nfs/dbraw/zinc/72/07/06/393720706.db2.gz USLFUIYUGUBKQQ-KGLIPLIRSA-N 2 2 290.373 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437965172 393720709 /nfs/dbraw/zinc/72/07/09/393720709.db2.gz USLFUIYUGUBKQQ-KGLIPLIRSA-N 2 2 290.373 3.349 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000444000788 393782059 /nfs/dbraw/zinc/78/20/59/393782059.db2.gz FTLZIHAAGCRXCR-LRDDRELGSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000444000788 393782062 /nfs/dbraw/zinc/78/20/62/393782062.db2.gz FTLZIHAAGCRXCR-LRDDRELGSA-N 2 2 278.827 3.221 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950656 393865395 /nfs/dbraw/zinc/86/53/95/393865395.db2.gz UHFYYKQRLMVOMJ-WFASDCNBSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950656 393865398 /nfs/dbraw/zinc/86/53/98/393865398.db2.gz UHFYYKQRLMVOMJ-WFASDCNBSA-N 2 2 278.827 3.270 20 0 CGADLP Clc1sccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993716 542832331 /nfs/dbraw/zinc/83/23/31/542832331.db2.gz GGDSTEWOOGKFJC-LLVKDONJSA-N 2 2 270.829 3.166 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3C[C@H]3C(C)C)c[nH+]c12 ZINC000449552900 393898426 /nfs/dbraw/zinc/89/84/26/393898426.db2.gz KUODXNXWUISHLE-ZFWWWQNUSA-N 2 2 257.381 3.024 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000503927776 393909171 /nfs/dbraw/zinc/90/91/71/393909171.db2.gz QIBNDCZOLQLMGU-KCXAZCMYSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000503927776 393909174 /nfs/dbraw/zinc/90/91/74/393909174.db2.gz QIBNDCZOLQLMGU-KCXAZCMYSA-N 2 2 264.388 3.063 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449778775 393944182 /nfs/dbraw/zinc/94/41/82/393944182.db2.gz CEUZNWLEHAGMSV-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449778775 393944184 /nfs/dbraw/zinc/94/41/84/393944184.db2.gz CEUZNWLEHAGMSV-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1Cn1c[nH+]c2c1CCCC2 ZINC000451192922 394043145 /nfs/dbraw/zinc/04/31/45/394043145.db2.gz LBJWNIDKHMQKQP-CQSZACIVSA-N 2 2 261.413 3.025 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1Cn1c[nH+]c2c1CCCC2 ZINC000451192922 394043147 /nfs/dbraw/zinc/04/31/47/394043147.db2.gz LBJWNIDKHMQKQP-CQSZACIVSA-N 2 2 261.413 3.025 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640431 394032723 /nfs/dbraw/zinc/03/27/23/394032723.db2.gz MDEZFZPISCLRMM-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640431 394032726 /nfs/dbraw/zinc/03/27/26/394032726.db2.gz MDEZFZPISCLRMM-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640431 394032730 /nfs/dbraw/zinc/03/27/30/394032730.db2.gz MDEZFZPISCLRMM-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640431 394032732 /nfs/dbraw/zinc/03/27/32/394032732.db2.gz MDEZFZPISCLRMM-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000453248585 394219847 /nfs/dbraw/zinc/21/98/47/394219847.db2.gz JDZSTKPIZXQLKC-NWDGAFQWSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000453248585 394219850 /nfs/dbraw/zinc/21/98/50/394219850.db2.gz JDZSTKPIZXQLKC-NWDGAFQWSA-N 2 2 261.394 3.069 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403394 394235414 /nfs/dbraw/zinc/23/54/14/394235414.db2.gz QNWQVBAMPOQYNY-CZUORRHYSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403394 394235415 /nfs/dbraw/zinc/23/54/15/394235415.db2.gz QNWQVBAMPOQYNY-CZUORRHYSA-N 2 2 262.441 3.029 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CC2)C2CCC2)c[nH+]1 ZINC000453627302 394263111 /nfs/dbraw/zinc/26/31/11/394263111.db2.gz VRAKVGOXTILWBC-KRWDZBQOSA-N 2 2 258.409 3.491 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)n1C ZINC000667502697 542879820 /nfs/dbraw/zinc/87/98/20/542879820.db2.gz MRQQDUSGSFAHIK-INIZCTEOSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C2CCCCC2)n1C ZINC000667502697 542879822 /nfs/dbraw/zinc/87/98/22/542879822.db2.gz MRQQDUSGSFAHIK-INIZCTEOSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2F)C(C)C)n1C ZINC000667505135 542882260 /nfs/dbraw/zinc/88/22/60/542882260.db2.gz GMQFKACAFMDICG-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2F)C(C)C)n1C ZINC000667505135 542882261 /nfs/dbraw/zinc/88/22/61/542882261.db2.gz GMQFKACAFMDICG-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658282 542908246 /nfs/dbraw/zinc/90/82/46/542908246.db2.gz CEXPZMFLGQEBRW-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658282 542908249 /nfs/dbraw/zinc/90/82/49/542908249.db2.gz CEXPZMFLGQEBRW-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667639963 542901577 /nfs/dbraw/zinc/90/15/77/542901577.db2.gz HKVYIVVEMPHHTL-LJQANCHMSA-N 2 2 295.430 3.383 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667639963 542901579 /nfs/dbraw/zinc/90/15/79/542901579.db2.gz HKVYIVVEMPHHTL-LJQANCHMSA-N 2 2 295.430 3.383 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)n1C ZINC000667642866 542902507 /nfs/dbraw/zinc/90/25/07/542902507.db2.gz MUORPSGWODFDHL-OAHLLOKOSA-N 2 2 273.380 3.439 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)n1C ZINC000667642866 542902509 /nfs/dbraw/zinc/90/25/09/542902509.db2.gz MUORPSGWODFDHL-OAHLLOKOSA-N 2 2 273.380 3.439 20 0 CGADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695364 542919218 /nfs/dbraw/zinc/91/92/18/542919218.db2.gz QSBMSJCAMPJCPO-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695364 542919219 /nfs/dbraw/zinc/91/92/19/542919219.db2.gz QSBMSJCAMPJCPO-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000667776274 542928113 /nfs/dbraw/zinc/92/81/13/542928113.db2.gz NAUQXFXEBCYJKC-FHLIZLRMSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)n1C ZINC000667972365 542952158 /nfs/dbraw/zinc/95/21/58/542952158.db2.gz NTUHUNDCFYRXAD-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)n1C ZINC000667972365 542952160 /nfs/dbraw/zinc/95/21/60/542952160.db2.gz NTUHUNDCFYRXAD-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667971754 542952416 /nfs/dbraw/zinc/95/24/16/542952416.db2.gz ZGIQTOKQPQJURY-INIZCTEOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667971754 542952419 /nfs/dbraw/zinc/95/24/19/542952419.db2.gz ZGIQTOKQPQJURY-INIZCTEOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)n1C ZINC000668183728 542984041 /nfs/dbraw/zinc/98/40/41/542984041.db2.gz NLQATGDSPJUEQQ-OLZOCXBDSA-N 2 2 289.345 3.281 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)n1C ZINC000668183728 542984044 /nfs/dbraw/zinc/98/40/44/542984044.db2.gz NLQATGDSPJUEQQ-OLZOCXBDSA-N 2 2 289.345 3.281 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000668167023 542979101 /nfs/dbraw/zinc/97/91/01/542979101.db2.gz QBVUNOWWZUQHHI-UHFFFAOYSA-N 2 2 297.324 3.131 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)c(F)c1F ZINC000668167023 542979104 /nfs/dbraw/zinc/97/91/04/542979104.db2.gz QBVUNOWWZUQHHI-UHFFFAOYSA-N 2 2 297.324 3.131 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172038 542980480 /nfs/dbraw/zinc/98/04/80/542980480.db2.gz BXYSPUNPQOWXCW-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172038 542980483 /nfs/dbraw/zinc/98/04/83/542980483.db2.gz BXYSPUNPQOWXCW-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172038 542980485 /nfs/dbraw/zinc/98/04/85/542980485.db2.gz BXYSPUNPQOWXCW-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172038 542980486 /nfs/dbraw/zinc/98/04/86/542980486.db2.gz BXYSPUNPQOWXCW-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000668241827 542997316 /nfs/dbraw/zinc/99/73/16/542997316.db2.gz PAVCUECKVQUONB-LSDHHAIUSA-N 2 2 275.440 3.476 20 0 CGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000668241827 542997317 /nfs/dbraw/zinc/99/73/17/542997317.db2.gz PAVCUECKVQUONB-LSDHHAIUSA-N 2 2 275.440 3.476 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275194 543001384 /nfs/dbraw/zinc/00/13/84/543001384.db2.gz UYQAIRIVEPPYAI-GOEBONIOSA-N 2 2 287.451 3.478 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275194 543001388 /nfs/dbraw/zinc/00/13/88/543001388.db2.gz UYQAIRIVEPPYAI-GOEBONIOSA-N 2 2 287.451 3.478 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000668432145 543012744 /nfs/dbraw/zinc/01/27/44/543012744.db2.gz MYUIJYGFVFGKAM-IHRRRGAJSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000668432145 543012747 /nfs/dbraw/zinc/01/27/47/543012747.db2.gz MYUIJYGFVFGKAM-IHRRRGAJSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538107 543025248 /nfs/dbraw/zinc/02/52/48/543025248.db2.gz TZHNMXZWDVOGBO-UHFFFAOYSA-N 2 2 290.451 3.105 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538107 543025250 /nfs/dbraw/zinc/02/52/50/543025250.db2.gz TZHNMXZWDVOGBO-UHFFFAOYSA-N 2 2 290.451 3.105 20 0 CGADLP CC(C)c1[nH+]c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c2ccccn21 ZINC000668677837 543043292 /nfs/dbraw/zinc/04/32/92/543043292.db2.gz YPTTZROYAAZBMP-KBPBESRZSA-N 2 2 269.392 3.300 20 0 CGADLP CC(C)c1[nH+]c(C[N@H+]2CC[C@H]3C[C@H]3C2)c2ccccn21 ZINC000668677837 543043293 /nfs/dbraw/zinc/04/32/93/543043293.db2.gz YPTTZROYAAZBMP-KBPBESRZSA-N 2 2 269.392 3.300 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000671098996 543159695 /nfs/dbraw/zinc/15/96/95/543159695.db2.gz GIXAMOLYUKTMRD-HZPDHXFCSA-N 2 2 284.488 3.290 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000671304307 543168122 /nfs/dbraw/zinc/16/81/22/543168122.db2.gz ALSJAESTGSKIQZ-KYJSFNMBSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671303054 543168756 /nfs/dbraw/zinc/16/87/56/543168756.db2.gz OUYYHWUDZUOTOZ-QGZVFWFLSA-N 2 2 281.403 3.305 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000671770679 543188589 /nfs/dbraw/zinc/18/85/89/543188589.db2.gz XIFHAHAKQTURFD-YJBOKZPZSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000671770679 543188591 /nfs/dbraw/zinc/18/85/91/543188591.db2.gz XIFHAHAKQTURFD-YJBOKZPZSA-N 2 2 272.436 3.446 20 0 CGADLP CCc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000672271371 543206158 /nfs/dbraw/zinc/20/61/58/543206158.db2.gz WREUDRGIZDQICA-SUMWQHHRSA-N 2 2 284.407 3.142 20 0 CGADLP C[C@@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)CC(C)(C)C ZINC000419699647 397699577 /nfs/dbraw/zinc/69/95/77/397699577.db2.gz WURHREVTMAAYAQ-ZDUSSCGKSA-N 2 2 280.460 3.038 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000675732881 543358734 /nfs/dbraw/zinc/35/87/34/543358734.db2.gz MFVWKIXUWQHMGH-LPHOPBHVSA-N 2 2 286.463 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000675732881 543358736 /nfs/dbraw/zinc/35/87/36/543358736.db2.gz MFVWKIXUWQHMGH-LPHOPBHVSA-N 2 2 286.463 3.308 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000675938411 543375184 /nfs/dbraw/zinc/37/51/84/543375184.db2.gz GMQOJWVQKYPSCW-RHSMWYFYSA-N 2 2 256.393 3.130 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000675938411 543375186 /nfs/dbraw/zinc/37/51/86/543375186.db2.gz GMQOJWVQKYPSCW-RHSMWYFYSA-N 2 2 256.393 3.130 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1Cl ZINC000676113802 543383561 /nfs/dbraw/zinc/38/35/61/543383561.db2.gz WLFPJVPQAFLHAA-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1Cl ZINC000676113802 543383564 /nfs/dbraw/zinc/38/35/64/543383564.db2.gz WLFPJVPQAFLHAA-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000434775284 292169034 /nfs/dbraw/zinc/16/90/34/292169034.db2.gz JQTHLSVTCJGWNP-GOEBONIOSA-N 2 2 296.499 3.290 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235497 543497852 /nfs/dbraw/zinc/49/78/52/543497852.db2.gz VDGBZTHXAFLTCE-BBOMDTFKSA-N 2 2 297.402 3.242 20 0 CGADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235497 543497855 /nfs/dbraw/zinc/49/78/55/543497855.db2.gz VDGBZTHXAFLTCE-BBOMDTFKSA-N 2 2 297.402 3.242 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235150 543498249 /nfs/dbraw/zinc/49/82/49/543498249.db2.gz OXWNEUCLZKPLBI-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235150 543498250 /nfs/dbraw/zinc/49/82/50/543498250.db2.gz OXWNEUCLZKPLBI-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234241 543498629 /nfs/dbraw/zinc/49/86/29/543498629.db2.gz BDCQPEWKJQFNLW-HOTGVXAUSA-N 2 2 297.402 3.086 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234241 543498632 /nfs/dbraw/zinc/49/86/32/543498632.db2.gz BDCQPEWKJQFNLW-HOTGVXAUSA-N 2 2 297.402 3.086 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000678235521 543498892 /nfs/dbraw/zinc/49/88/92/543498892.db2.gz KSOIEKVYOZFNPI-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000678235521 543498893 /nfs/dbraw/zinc/49/88/93/543498893.db2.gz KSOIEKVYOZFNPI-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3nccc4ccccc43)CC2)[nH+]1 ZINC000678267147 543505281 /nfs/dbraw/zinc/50/52/81/543505281.db2.gz ONAZGUCVCZMOAM-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1nccc2ccccc21 ZINC000678335166 543516135 /nfs/dbraw/zinc/51/61/35/543516135.db2.gz TYXQRCIBYSVOMA-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1nccc2ccccc21 ZINC000678335166 543516136 /nfs/dbraw/zinc/51/61/36/543516136.db2.gz TYXQRCIBYSVOMA-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccc2ccccc21 ZINC000678335166 543516137 /nfs/dbraw/zinc/51/61/37/543516137.db2.gz TYXQRCIBYSVOMA-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccc2ccccc21 ZINC000678335166 543516138 /nfs/dbraw/zinc/51/61/38/543516138.db2.gz TYXQRCIBYSVOMA-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)s1 ZINC000678607655 543545110 /nfs/dbraw/zinc/54/51/10/543545110.db2.gz OHTKBFYGQCAWIJ-LLVKDONJSA-N 2 2 275.421 3.357 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000423497388 286150396 /nfs/dbraw/zinc/15/03/96/286150396.db2.gz GVTVRYAMDYCXOI-SZMVWBNQSA-N 2 2 290.451 3.044 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000554074396 289255616 /nfs/dbraw/zinc/25/56/16/289255616.db2.gz WRPFOVISBQWMDL-FVQBIDKESA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000554074396 289255620 /nfs/dbraw/zinc/25/56/20/289255620.db2.gz WRPFOVISBQWMDL-FVQBIDKESA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000491007375 292247803 /nfs/dbraw/zinc/24/78/03/292247803.db2.gz OAKWCHXMYGBPLN-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000491007375 292247804 /nfs/dbraw/zinc/24/78/04/292247804.db2.gz OAKWCHXMYGBPLN-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP COCC1CCC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000449136305 292263568 /nfs/dbraw/zinc/26/35/68/292263568.db2.gz UVFSHDOHKPAQHX-RYTJFDOTSA-N 2 2 282.472 3.044 20 0 CGADLP COCC1CCC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000449136305 292263572 /nfs/dbraw/zinc/26/35/72/292263572.db2.gz UVFSHDOHKPAQHX-RYTJFDOTSA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423066795 286376203 /nfs/dbraw/zinc/37/62/03/286376203.db2.gz XYRUOTFSFWSULY-DHXZDTOLSA-N 2 2 288.435 3.267 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346807847 286393038 /nfs/dbraw/zinc/39/30/38/286393038.db2.gz MTVTYYULBKKYOC-BVGQSLNGSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346807847 286393039 /nfs/dbraw/zinc/39/30/39/286393039.db2.gz MTVTYYULBKKYOC-BVGQSLNGSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000216004947 287024528 /nfs/dbraw/zinc/02/45/28/287024528.db2.gz WYKPIDGQYBTVBI-UONOGXRCSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000216004947 287024529 /nfs/dbraw/zinc/02/45/29/287024529.db2.gz WYKPIDGQYBTVBI-UONOGXRCSA-N 2 2 250.386 3.195 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081638120 287075716 /nfs/dbraw/zinc/07/57/16/287075716.db2.gz SJFMIXZIHLWQDT-CVEARBPZSA-N 2 2 261.413 3.222 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070444554 165061237 /nfs/dbraw/zinc/06/12/37/165061237.db2.gz UNWSIHFEMPQYRI-AWEZNQCLSA-N 2 2 286.423 3.435 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000072861490 165074238 /nfs/dbraw/zinc/07/42/38/165074238.db2.gz GSZCHQYLBZEOTC-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000072861490 165074240 /nfs/dbraw/zinc/07/42/40/165074240.db2.gz GSZCHQYLBZEOTC-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000075779683 165103950 /nfs/dbraw/zinc/10/39/50/165103950.db2.gz ZKKSPPCUUKJIHS-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP CCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000078592118 165137305 /nfs/dbraw/zinc/13/73/05/165137305.db2.gz ZRYXUWGZFTXKGY-UHFFFAOYSA-N 2 2 287.329 3.387 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000086509765 165183990 /nfs/dbraw/zinc/18/39/90/165183990.db2.gz KCJHLIYDPZFIGP-GFCCVEGCSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Br ZINC000093465475 165329966 /nfs/dbraw/zinc/32/99/66/165329966.db2.gz RJELQCQNHVBHDR-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000122297013 287208410 /nfs/dbraw/zinc/20/84/10/287208410.db2.gz BPNAZFQZQZFAJP-BXUZGUMPSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000122297013 287208412 /nfs/dbraw/zinc/20/84/12/287208412.db2.gz BPNAZFQZQZFAJP-BXUZGUMPSA-N 2 2 298.352 3.420 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000284335994 196032877 /nfs/dbraw/zinc/03/28/77/196032877.db2.gz MOOMFAPYUVCSHH-KBRIMQKVSA-N 2 2 290.451 3.117 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000125130144 287240200 /nfs/dbraw/zinc/24/02/00/287240200.db2.gz WYKHIJQRDMECNB-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+]CC[NH+]1CCCC1 ZINC000020126714 171011108 /nfs/dbraw/zinc/01/11/08/171011108.db2.gz AHFKSAAXQLUQBQ-UHFFFAOYSA-N 2 2 254.377 3.025 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000020126885 171011979 /nfs/dbraw/zinc/01/19/79/171011979.db2.gz XNEOPOVJJKXIEL-LBPRGKRZSA-N 2 2 284.350 3.034 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000020129083 171016005 /nfs/dbraw/zinc/01/60/05/171016005.db2.gz VVOAAOUYMLIYEF-GFCCVEGCSA-N 2 2 268.351 3.101 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000020186737 171050971 /nfs/dbraw/zinc/05/09/71/171050971.db2.gz KARGWGIXCMIQOA-OAHLLOKOSA-N 2 2 269.392 3.291 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000020827699 171274826 /nfs/dbraw/zinc/27/48/26/171274826.db2.gz QDCITUULNXOMRM-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000285001937 196174322 /nfs/dbraw/zinc/17/43/22/196174322.db2.gz YVHSZKKXKFOBQB-QZTJIDSGSA-N 2 2 297.402 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000285001937 196174323 /nfs/dbraw/zinc/17/43/23/196174323.db2.gz YVHSZKKXKFOBQB-QZTJIDSGSA-N 2 2 297.402 3.016 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000037236747 173054540 /nfs/dbraw/zinc/05/45/40/173054540.db2.gz NQHRVEMALSTXFQ-ZDUSSCGKSA-N 2 2 294.414 3.358 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000037248680 173061452 /nfs/dbraw/zinc/06/14/52/173061452.db2.gz JVJWMSFCFJIJTM-UHFFFAOYSA-N 2 2 288.366 3.270 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000038087346 174098387 /nfs/dbraw/zinc/09/83/87/174098387.db2.gz HHIWWBBYAUXSTR-OIISXLGYSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H](C)c1ccccc1 ZINC000128224890 287306031 /nfs/dbraw/zinc/30/60/31/287306031.db2.gz HZVBONANMKQWCY-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128380935 287309499 /nfs/dbraw/zinc/30/94/99/287309499.db2.gz OBNFCWXWLGULKD-OAHLLOKOSA-N 2 2 264.332 3.315 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000404376945 416552977 /nfs/dbraw/zinc/55/29/77/416552977.db2.gz SNSIANNDDLQHBX-GXTWGEPZSA-N 2 2 281.469 3.045 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000404376945 416552978 /nfs/dbraw/zinc/55/29/78/416552978.db2.gz SNSIANNDDLQHBX-GXTWGEPZSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(s1)CCCC2 ZINC000129664127 287337099 /nfs/dbraw/zinc/33/70/99/287337099.db2.gz QBCRAINHJRZKKO-GFCCVEGCSA-N 2 2 275.421 3.174 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364816 543629353 /nfs/dbraw/zinc/62/93/53/543629353.db2.gz OOCTXJWFMDSZIA-QAPCUYQASA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364816 543629355 /nfs/dbraw/zinc/62/93/55/543629355.db2.gz OOCTXJWFMDSZIA-QAPCUYQASA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364816 543629358 /nfs/dbraw/zinc/62/93/58/543629358.db2.gz OOCTXJWFMDSZIA-QAPCUYQASA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364816 543629361 /nfs/dbraw/zinc/62/93/61/543629361.db2.gz OOCTXJWFMDSZIA-QAPCUYQASA-N 2 2 270.420 3.090 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679444110 543637054 /nfs/dbraw/zinc/63/70/54/543637054.db2.gz QQAPCSXIDPJILB-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000679444110 543637055 /nfs/dbraw/zinc/63/70/55/543637055.db2.gz QQAPCSXIDPJILB-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP c1cn(-c2csc(C[NH2+]CCCC3CC3)c2)c[nH+]1 ZINC000680332620 543699210 /nfs/dbraw/zinc/69/92/10/543699210.db2.gz MLQQNSGPOVTNCM-UHFFFAOYSA-N 2 2 261.394 3.214 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679985658 543672297 /nfs/dbraw/zinc/67/22/97/543672297.db2.gz GRRLISFFXVTOGY-UKRRQHHQSA-N 2 2 275.421 3.213 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679985658 543672298 /nfs/dbraw/zinc/67/22/98/543672298.db2.gz GRRLISFFXVTOGY-UKRRQHHQSA-N 2 2 275.421 3.213 20 0 CGADLP CC(C)OCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000680494979 543715645 /nfs/dbraw/zinc/71/56/45/543715645.db2.gz KBUGFWKDUXXRSA-KRWDZBQOSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000680494979 543715647 /nfs/dbraw/zinc/71/56/47/543715647.db2.gz KBUGFWKDUXXRSA-KRWDZBQOSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130648847 287360234 /nfs/dbraw/zinc/36/02/34/287360234.db2.gz JLVZZEBIYRQVHF-GOSISDBHSA-N 2 2 291.398 3.462 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675300 543801621 /nfs/dbraw/zinc/80/16/21/543801621.db2.gz KNYZSHJDWMBNBS-ZBFHGGJFSA-N 2 2 267.376 3.277 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675300 543801625 /nfs/dbraw/zinc/80/16/25/543801625.db2.gz KNYZSHJDWMBNBS-ZBFHGGJFSA-N 2 2 267.376 3.277 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000681972848 543812833 /nfs/dbraw/zinc/81/28/33/543812833.db2.gz JRSXDIFQSMRWIF-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000681972848 543812836 /nfs/dbraw/zinc/81/28/36/543812836.db2.gz JRSXDIFQSMRWIF-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681976152 543812943 /nfs/dbraw/zinc/81/29/43/543812943.db2.gz UFVOQOSHHQGIDA-QYZOEREBSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681976152 543812947 /nfs/dbraw/zinc/81/29/47/543812947.db2.gz UFVOQOSHHQGIDA-QYZOEREBSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000682640722 543855191 /nfs/dbraw/zinc/85/51/91/543855191.db2.gz NAYJQCYTOBFLFU-VEZWFGLTSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCCC[C@H]1C ZINC000682640722 543855194 /nfs/dbraw/zinc/85/51/94/543855194.db2.gz NAYJQCYTOBFLFU-VEZWFGLTSA-N 2 2 294.483 3.331 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000682731772 543862852 /nfs/dbraw/zinc/86/28/52/543862852.db2.gz HYAMDKIBGHTBHC-GUYCJALGSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000682731772 543862854 /nfs/dbraw/zinc/86/28/54/543862854.db2.gz HYAMDKIBGHTBHC-GUYCJALGSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2[nH+]c(N3CCC[C@@H]([NH+](C)C)CC3)ccc2c1 ZINC000683199248 543903689 /nfs/dbraw/zinc/90/36/89/543903689.db2.gz WLYLWUYDPYULQB-OAHLLOKOSA-N 2 2 299.418 3.164 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc2cnccc2c1 ZINC000683773993 543940753 /nfs/dbraw/zinc/94/07/53/543940753.db2.gz JPQQCUNJPGLTOI-UHFFFAOYSA-N 2 2 277.371 3.271 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683829955 543946533 /nfs/dbraw/zinc/94/65/33/543946533.db2.gz NMKPZYPLOOMXFN-LLVKDONJSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683829955 543946536 /nfs/dbraw/zinc/94/65/36/543946536.db2.gz NMKPZYPLOOMXFN-LLVKDONJSA-N 2 2 281.812 3.435 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449046 544071989 /nfs/dbraw/zinc/07/19/89/544071989.db2.gz SNDOXMKUWRYXBF-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449046 544071992 /nfs/dbraw/zinc/07/19/92/544071992.db2.gz SNDOXMKUWRYXBF-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP COCC(C)(C)CCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000685471457 544079185 /nfs/dbraw/zinc/07/91/85/544079185.db2.gz HYEVAUIZOMFIEK-UHFFFAOYSA-N 2 2 278.440 3.365 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658328274 418936570 /nfs/dbraw/zinc/93/65/70/418936570.db2.gz ADAZOBVMLPZBQN-HOCLYGCPSA-N 2 2 299.418 3.338 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659871258 419022990 /nfs/dbraw/zinc/02/29/90/419022990.db2.gz PUFIJEPUUDGGLK-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659871258 419022994 /nfs/dbraw/zinc/02/29/94/419022994.db2.gz PUFIJEPUUDGGLK-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653556900 419048104 /nfs/dbraw/zinc/04/81/04/419048104.db2.gz OYKWUOIRQQMZDD-SFHVURJKSA-N 2 2 283.419 3.362 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653556900 419048105 /nfs/dbraw/zinc/04/81/05/419048105.db2.gz OYKWUOIRQQMZDD-SFHVURJKSA-N 2 2 283.419 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248761 419091617 /nfs/dbraw/zinc/09/16/17/419091617.db2.gz BVWPEUGINYFDGQ-CQSZACIVSA-N 3 2 298.434 3.103 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254006 419094505 /nfs/dbraw/zinc/09/45/05/419094505.db2.gz FTNLTNNWOTZIDU-BZUAXINKSA-N 2 2 276.399 3.049 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000655774857 419094925 /nfs/dbraw/zinc/09/49/25/419094925.db2.gz KJINZIYTWOVOHW-CVYDXHPNSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccn1 ZINC000665257777 419095246 /nfs/dbraw/zinc/09/52/46/419095246.db2.gz UKUKTAPSHIZWKB-FDQGKXFDSA-N 2 2 299.393 3.017 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665277398 419099466 /nfs/dbraw/zinc/09/94/66/419099466.db2.gz ALLYFGSRUZQFJH-MEXZMNCTSA-N 2 2 297.229 3.322 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000665277888 419100090 /nfs/dbraw/zinc/10/00/90/419100090.db2.gz OLPRCDSTMGJFRO-TZGCNFNXSA-N 2 2 293.414 3.151 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000665295368 419108665 /nfs/dbraw/zinc/10/86/65/419108665.db2.gz CKGQJSONLMMVSF-NEPJUHHUSA-N 2 2 289.448 3.377 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000665295707 419108722 /nfs/dbraw/zinc/10/87/22/419108722.db2.gz HUVAWJJNMFWTQO-BBRMVZONSA-N 2 2 276.424 3.221 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000665295717 419109734 /nfs/dbraw/zinc/10/97/34/419109734.db2.gz IDURZSDKTPVHBT-UWVGGRQHSA-N 2 2 269.458 3.008 20 0 CGADLP c1cn(CCCC2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c[nH+]1 ZINC000660245013 419110097 /nfs/dbraw/zinc/11/00/97/419110097.db2.gz MNWJEVNQTOFHHE-BCDXTJNWSA-N 2 2 287.451 3.421 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653913248 419111946 /nfs/dbraw/zinc/11/19/46/419111946.db2.gz ZSEPUSYKWVWPFM-IAGOWNOFSA-N 2 2 299.418 3.032 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653913248 419111949 /nfs/dbraw/zinc/11/19/49/419111949.db2.gz ZSEPUSYKWVWPFM-IAGOWNOFSA-N 2 2 299.418 3.032 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC1(C)C ZINC000655849691 419119878 /nfs/dbraw/zinc/11/98/78/419119878.db2.gz YDGGKXITUMFGMR-YJNKXOJESA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC1(C)C ZINC000655849691 419119883 /nfs/dbraw/zinc/11/98/83/419119883.db2.gz YDGGKXITUMFGMR-YJNKXOJESA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000653581494 419053929 /nfs/dbraw/zinc/05/39/29/419053929.db2.gz SRDVOTDONSRCSU-CYBMUJFWSA-N 2 2 261.413 3.415 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000653581494 419053931 /nfs/dbraw/zinc/05/39/31/419053931.db2.gz SRDVOTDONSRCSU-CYBMUJFWSA-N 2 2 261.413 3.415 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659999079 419058566 /nfs/dbraw/zinc/05/85/66/419058566.db2.gz MTSJJTGXFKKEPM-LBPRGKRZSA-N 2 2 271.355 3.201 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659999078 419059800 /nfs/dbraw/zinc/05/98/00/419059800.db2.gz MTSJJTGXFKKEPM-GFCCVEGCSA-N 2 2 271.355 3.201 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655855411 419123456 /nfs/dbraw/zinc/12/34/56/419123456.db2.gz DFSBSOKVQOWYMW-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655855411 419123459 /nfs/dbraw/zinc/12/34/59/419123459.db2.gz DFSBSOKVQOWYMW-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064097 419069929 /nfs/dbraw/zinc/06/99/29/419069929.db2.gz DSBDSNZQGOZYFI-RFSXOUPVSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064097 419069931 /nfs/dbraw/zinc/06/99/31/419069931.db2.gz DSBDSNZQGOZYFI-RFSXOUPVSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064097 419069934 /nfs/dbraw/zinc/06/99/34/419069934.db2.gz DSBDSNZQGOZYFI-RFSXOUPVSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064097 419069937 /nfs/dbraw/zinc/06/99/37/419069937.db2.gz DSBDSNZQGOZYFI-RFSXOUPVSA-N 2 2 276.468 3.370 20 0 CGADLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708547 419073252 /nfs/dbraw/zinc/07/32/52/419073252.db2.gz KKARVCXJMYVQKE-KBAYOESNSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000655707803 419073534 /nfs/dbraw/zinc/07/35/34/419073534.db2.gz DEQVKUULWJAJON-ZIAGYGMSSA-N 2 2 279.453 3.147 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655717040 419076164 /nfs/dbraw/zinc/07/61/64/419076164.db2.gz SYMDAOGRSPRLRZ-RDJZCZTQSA-N 2 2 270.420 3.117 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655717040 419076166 /nfs/dbraw/zinc/07/61/66/419076166.db2.gz SYMDAOGRSPRLRZ-RDJZCZTQSA-N 2 2 270.420 3.117 20 0 CGADLP Cc1c[nH+]c(CCNc2[nH+]c3ccc(F)cc3n2C)c(C)c1 ZINC000656211188 419150859 /nfs/dbraw/zinc/15/08/59/419150859.db2.gz SXHKKJAYKZSADV-UHFFFAOYSA-N 2 2 298.365 3.379 20 0 CGADLP c1[nH+]cn2c1C[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000660584879 419166362 /nfs/dbraw/zinc/16/63/62/419166362.db2.gz VLAARECYGASPHK-NVXWUHKLSA-N 2 2 281.403 3.283 20 0 CGADLP c1[nH+]cn2c1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000660584879 419166364 /nfs/dbraw/zinc/16/63/64/419166364.db2.gz VLAARECYGASPHK-NVXWUHKLSA-N 2 2 281.403 3.283 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655675 419176872 /nfs/dbraw/zinc/17/68/72/419176872.db2.gz PFXRAKXQETWMGO-WMLDXEAASA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655675 419176875 /nfs/dbraw/zinc/17/68/75/419176875.db2.gz PFXRAKXQETWMGO-WMLDXEAASA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655675 419176877 /nfs/dbraw/zinc/17/68/77/419176877.db2.gz PFXRAKXQETWMGO-WMLDXEAASA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655675 419176879 /nfs/dbraw/zinc/17/68/79/419176879.db2.gz PFXRAKXQETWMGO-WMLDXEAASA-N 2 2 276.399 3.304 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1Cl)C2 ZINC000660662424 419179596 /nfs/dbraw/zinc/17/95/96/419179596.db2.gz KCYJKPYPWBBTHZ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(F)c1Cl)C2 ZINC000660662424 419179599 /nfs/dbraw/zinc/17/95/99/419179599.db2.gz KCYJKPYPWBBTHZ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1Cl)C2 ZINC000660662424 419179600 /nfs/dbraw/zinc/17/96/00/419179600.db2.gz KCYJKPYPWBBTHZ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1Cl)C2 ZINC000660662424 419179601 /nfs/dbraw/zinc/17/96/01/419179601.db2.gz KCYJKPYPWBBTHZ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000666088583 419188663 /nfs/dbraw/zinc/18/86/63/419188663.db2.gz BRKMYERRROAMKH-GDBMZVCRSA-N 2 2 288.435 3.139 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000666088583 419188665 /nfs/dbraw/zinc/18/86/65/419188665.db2.gz BRKMYERRROAMKH-GDBMZVCRSA-N 2 2 288.435 3.139 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000655937578 419128252 /nfs/dbraw/zinc/12/82/52/419128252.db2.gz AVAKGDBWOLLTRQ-KRWDZBQOSA-N 2 2 276.424 3.036 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)s1 ZINC000657300080 419245420 /nfs/dbraw/zinc/24/54/20/419245420.db2.gz HOYMZJYFUUSLLT-VIFPVBQESA-N 2 2 281.812 3.395 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C2CCC2)CC1)Cn1cc[nH+]c1 ZINC000657334193 419252792 /nfs/dbraw/zinc/25/27/92/419252792.db2.gz PANYZILSGWTKSP-OOHWJJMZSA-N 2 2 275.440 3.468 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000661372812 419253026 /nfs/dbraw/zinc/25/30/26/419253026.db2.gz BOMRZTMCZVXJPP-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000661372812 419253029 /nfs/dbraw/zinc/25/30/29/419253029.db2.gz BOMRZTMCZVXJPP-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H](C)c1ccccc1 ZINC000657384159 419266095 /nfs/dbraw/zinc/26/60/95/419266095.db2.gz MNBPTZOYNRAUOY-KGLIPLIRSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387332 419267116 /nfs/dbraw/zinc/26/71/16/419267116.db2.gz OFOLWYVMWMESDP-JSGCOSHPSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228666 419200110 /nfs/dbraw/zinc/20/01/10/419200110.db2.gz VIVPQFMBDFLWGE-VDERGJSUSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228666 419200112 /nfs/dbraw/zinc/20/01/12/419200112.db2.gz VIVPQFMBDFLWGE-VDERGJSUSA-N 2 2 294.389 3.140 20 0 CGADLP C[N@H+](Cc1cccc(OC2CCCC2)c1)CC(C)(C)[NH3+] ZINC000656784079 419217879 /nfs/dbraw/zinc/21/78/79/419217879.db2.gz YLGFHRZXLDPXKK-UHFFFAOYSA-N 2 2 276.424 3.177 20 0 CGADLP C[N@@H+](Cc1cccc(OC2CCCC2)c1)CC(C)(C)[NH3+] ZINC000656784079 419217880 /nfs/dbraw/zinc/21/78/80/419217880.db2.gz YLGFHRZXLDPXKK-UHFFFAOYSA-N 2 2 276.424 3.177 20 0 CGADLP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000656783896 419218302 /nfs/dbraw/zinc/21/83/02/419218302.db2.gz VXJFETLPRTYORP-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000656783896 419218305 /nfs/dbraw/zinc/21/83/05/419218305.db2.gz VXJFETLPRTYORP-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783685 419218691 /nfs/dbraw/zinc/21/86/91/419218691.db2.gz UINMVVWDKUNNNN-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656783685 419218693 /nfs/dbraw/zinc/21/86/93/419218693.db2.gz UINMVVWDKUNNNN-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785654 419219264 /nfs/dbraw/zinc/21/92/64/419219264.db2.gz PIEVSXNMSVERPP-HNAYVOBHSA-N 2 2 295.430 3.194 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785654 419219267 /nfs/dbraw/zinc/21/92/67/419219267.db2.gz PIEVSXNMSVERPP-HNAYVOBHSA-N 2 2 295.430 3.194 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000657285981 419241937 /nfs/dbraw/zinc/24/19/37/419241937.db2.gz KBVPJCCPOXAMDJ-KFWWJZLASA-N 2 2 294.464 3.042 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000657439951 419279918 /nfs/dbraw/zinc/27/99/18/419279918.db2.gz IQWYIXLWHSGZAB-RBSFLKMASA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H](OCC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657501518 419294986 /nfs/dbraw/zinc/29/49/86/419294986.db2.gz XATQXWOYWUWOEM-KRWDZBQOSA-N 2 2 299.418 3.087 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000657526823 419298778 /nfs/dbraw/zinc/29/87/78/419298778.db2.gz MIAFXTTZQCFRGI-MWDXBVQZSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000657526823 419298780 /nfs/dbraw/zinc/29/87/80/419298780.db2.gz MIAFXTTZQCFRGI-MWDXBVQZSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657587911 419310312 /nfs/dbraw/zinc/31/03/12/419310312.db2.gz ZUFYYXUPGWIDPD-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP Cc1ccc(CC[NH2+]Cc2cccc3[nH+]ccn32)cc1C ZINC000657626503 419316221 /nfs/dbraw/zinc/31/62/21/419316221.db2.gz KTDWCMOIVISGAC-UHFFFAOYSA-N 2 2 279.387 3.283 20 0 CGADLP Fc1ccc([C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000661515606 419269893 /nfs/dbraw/zinc/26/98/93/419269893.db2.gz YJZMZCCUYGYRSL-KRWDZBQOSA-N 2 2 276.399 3.449 20 0 CGADLP Fc1ccc([C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000661515606 419269895 /nfs/dbraw/zinc/26/98/95/419269895.db2.gz YJZMZCCUYGYRSL-KRWDZBQOSA-N 2 2 276.399 3.449 20 0 CGADLP CC(C)C1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657398158 419270597 /nfs/dbraw/zinc/27/05/97/419270597.db2.gz IJQFCNNSVPUOQU-UHFFFAOYSA-N 2 2 261.413 3.134 20 0 CGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000418089546 228025120 /nfs/dbraw/zinc/02/51/20/228025120.db2.gz BKECVNARJLYGQL-QGZVFWFLSA-N 2 2 287.407 3.023 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657751790 419336922 /nfs/dbraw/zinc/33/69/22/419336922.db2.gz KIIVKHJSORTLPC-RYRKJORJSA-N 2 2 294.483 3.188 20 0 CGADLP FCC1(CF)CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000657849587 419388838 /nfs/dbraw/zinc/38/88/38/419388838.db2.gz IUSHDTQYOMLQJY-UHFFFAOYSA-N 2 2 293.361 3.173 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCSCC2)[NH+](C)C)cc1 ZINC000657859877 419391946 /nfs/dbraw/zinc/39/19/46/419391946.db2.gz YJNPBEQCGMOJCM-IAGOWNOFSA-N 2 2 292.492 3.473 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000657883176 419405273 /nfs/dbraw/zinc/40/52/73/419405273.db2.gz YOZPPWOBBYIDST-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000657883176 419405281 /nfs/dbraw/zinc/40/52/81/419405281.db2.gz YOZPPWOBBYIDST-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887179 419406056 /nfs/dbraw/zinc/40/60/56/419406056.db2.gz FMMKYPCHJAAWCS-NTZNESFSSA-N 2 2 283.366 3.153 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887179 419406062 /nfs/dbraw/zinc/40/60/62/419406062.db2.gz FMMKYPCHJAAWCS-NTZNESFSSA-N 2 2 283.366 3.153 20 0 CGADLP CCC[N@H+](Cc1cccc(OC)c1Cl)C1CC[NH2+]CC1 ZINC000662262620 419375097 /nfs/dbraw/zinc/37/50/97/419375097.db2.gz HXJUDMNLZFXUEF-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CCC[N@@H+](Cc1cccc(OC)c1Cl)C1CC[NH2+]CC1 ZINC000662262620 419375101 /nfs/dbraw/zinc/37/51/01/419375101.db2.gz HXJUDMNLZFXUEF-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657832729 419377595 /nfs/dbraw/zinc/37/75/95/419377595.db2.gz ACOXPIQKXKRMPY-JEYLPNPQSA-N 2 2 261.413 3.220 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000657834359 419378485 /nfs/dbraw/zinc/37/84/85/419378485.db2.gz UDVNIYXRDFNWBF-VYDXJSESSA-N 2 2 283.419 3.291 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C(F)F)nc1 ZINC000657906142 419430969 /nfs/dbraw/zinc/43/09/69/419430969.db2.gz WGEGCXGDNROXRA-JRPNMDOOSA-N 2 2 295.377 3.153 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C(F)F)nc1 ZINC000657906142 419430977 /nfs/dbraw/zinc/43/09/77/419430977.db2.gz WGEGCXGDNROXRA-JRPNMDOOSA-N 2 2 295.377 3.153 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657928388 419445206 /nfs/dbraw/zinc/44/52/06/419445206.db2.gz DWAWGPZMNVAAAJ-CYBMUJFWSA-N 2 2 281.359 3.425 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657954436 419462128 /nfs/dbraw/zinc/46/21/28/419462128.db2.gz URVASOKOWQLVPF-OBJOEFQTSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657954436 419462141 /nfs/dbraw/zinc/46/21/41/419462141.db2.gz URVASOKOWQLVPF-OBJOEFQTSA-N 2 2 289.448 3.287 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)n1 ZINC000658054693 419524133 /nfs/dbraw/zinc/52/41/33/419524133.db2.gz GAQDBQZSQOPIGJ-HIFRSBDPSA-N 2 2 275.440 3.222 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)n1 ZINC000658054693 419524142 /nfs/dbraw/zinc/52/41/42/419524142.db2.gz GAQDBQZSQOPIGJ-HIFRSBDPSA-N 2 2 275.440 3.222 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058137 419527179 /nfs/dbraw/zinc/52/71/79/419527179.db2.gz DBEZFPJWLMSCES-GHMZBOCLSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058137 419527186 /nfs/dbraw/zinc/52/71/86/419527186.db2.gz DBEZFPJWLMSCES-GHMZBOCLSA-N 2 2 262.388 3.129 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000658059191 419531395 /nfs/dbraw/zinc/53/13/95/419531395.db2.gz VUMYVXLIMWPBOO-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000658059191 419531403 /nfs/dbraw/zinc/53/14/03/419531403.db2.gz VUMYVXLIMWPBOO-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059201 419532872 /nfs/dbraw/zinc/53/28/72/419532872.db2.gz VYIPRTLPPAMIIR-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059201 419532879 /nfs/dbraw/zinc/53/28/79/419532879.db2.gz VYIPRTLPPAMIIR-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658063425 419536485 /nfs/dbraw/zinc/53/64/85/419536485.db2.gz VIMGVOXVKVGNFU-MGPQQGTHSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658063425 419536490 /nfs/dbraw/zinc/53/64/90/419536490.db2.gz VIMGVOXVKVGNFU-MGPQQGTHSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479403 419632274 /nfs/dbraw/zinc/63/22/74/419632274.db2.gz PLQTXWTZBXEXCU-PWSUYJOCSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479403 419632276 /nfs/dbraw/zinc/63/22/76/419632276.db2.gz PLQTXWTZBXEXCU-PWSUYJOCSA-N 2 2 278.362 3.037 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095295 419573270 /nfs/dbraw/zinc/57/32/70/419573270.db2.gz GCCIRCSCKCZQHR-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095295 419573277 /nfs/dbraw/zinc/57/32/77/419573277.db2.gz GCCIRCSCKCZQHR-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095519 419573795 /nfs/dbraw/zinc/57/37/95/419573795.db2.gz IUMHKRZHDAVGEW-OIISXLGYSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095519 419573802 /nfs/dbraw/zinc/57/38/02/419573802.db2.gz IUMHKRZHDAVGEW-OIISXLGYSA-N 2 2 290.451 3.225 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095298 419574929 /nfs/dbraw/zinc/57/49/29/419574929.db2.gz GCCIRCSCKCZQHR-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095298 419574936 /nfs/dbraw/zinc/57/49/36/419574936.db2.gz GCCIRCSCKCZQHR-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000658095314 419575048 /nfs/dbraw/zinc/57/50/48/419575048.db2.gz GKJBHNCHYGMJAR-HUUCEWRRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000658095314 419575058 /nfs/dbraw/zinc/57/50/58/419575058.db2.gz GKJBHNCHYGMJAR-HUUCEWRRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658095326 419575529 /nfs/dbraw/zinc/57/55/29/419575529.db2.gz GTWSVNZZPVWPRA-RHSMWYFYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658095326 419575534 /nfs/dbraw/zinc/57/55/34/419575534.db2.gz GTWSVNZZPVWPRA-RHSMWYFYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000658097191 419578798 /nfs/dbraw/zinc/57/87/98/419578798.db2.gz VUJNFLMDSQLABP-QLFBSQMISA-N 2 2 282.472 3.041 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000658097191 419578807 /nfs/dbraw/zinc/57/88/07/419578807.db2.gz VUJNFLMDSQLABP-QLFBSQMISA-N 2 2 282.472 3.041 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000663508136 419640620 /nfs/dbraw/zinc/64/06/20/419640620.db2.gz KCOIGWNNPFRXDJ-NSHDSACASA-N 2 2 278.396 3.252 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)[nH+]c1 ZINC000658206284 419657744 /nfs/dbraw/zinc/65/77/44/419657744.db2.gz MQJIRHLPLXMYIK-YQQAZPJKSA-N 2 2 285.435 3.076 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658283893 419729396 /nfs/dbraw/zinc/72/93/96/419729396.db2.gz DOBWOCSWYDLIKO-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658283893 419729404 /nfs/dbraw/zinc/72/94/04/419729404.db2.gz DOBWOCSWYDLIKO-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283937 419730488 /nfs/dbraw/zinc/73/04/88/419730488.db2.gz FBHIRKTYTIZSGR-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283937 419730496 /nfs/dbraw/zinc/73/04/96/419730496.db2.gz FBHIRKTYTIZSGR-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286220 419734524 /nfs/dbraw/zinc/73/45/24/419734524.db2.gz QGRFXGRXCXFROD-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286220 419734527 /nfs/dbraw/zinc/73/45/27/419734527.db2.gz QGRFXGRXCXFROD-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295216 419742877 /nfs/dbraw/zinc/74/28/77/419742877.db2.gz RGFWHEJDAYSJHR-XYVMCAHJSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295793 419744872 /nfs/dbraw/zinc/74/48/72/419744872.db2.gz ONLRPRZNPDSMHJ-IDCNUPLLSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC1(F)CC1)c1ccccc1 ZINC000525985453 260290377 /nfs/dbraw/zinc/29/03/77/260290377.db2.gz MSJBCBWYJDUXAO-CYBMUJFWSA-N 2 2 264.388 3.208 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000037154395 270028804 /nfs/dbraw/zinc/02/88/04/270028804.db2.gz BJOMJUYOEMPWCD-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685493 270037091 /nfs/dbraw/zinc/03/70/91/270037091.db2.gz PYZKSWNLFPKMOE-AWEZNQCLSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685493 270037092 /nfs/dbraw/zinc/03/70/92/270037092.db2.gz PYZKSWNLFPKMOE-AWEZNQCLSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685432 270037202 /nfs/dbraw/zinc/03/72/02/270037202.db2.gz MAMFTBMFWUZEEL-HOTGVXAUSA-N 2 2 272.436 3.499 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685432 270037204 /nfs/dbraw/zinc/03/72/04/270037204.db2.gz MAMFTBMFWUZEEL-HOTGVXAUSA-N 2 2 272.436 3.499 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685328 270037246 /nfs/dbraw/zinc/03/72/46/270037246.db2.gz RQHWAOWWISFSAI-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685328 270037248 /nfs/dbraw/zinc/03/72/48/270037248.db2.gz RQHWAOWWISFSAI-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000045094523 270038325 /nfs/dbraw/zinc/03/83/25/270038325.db2.gz OFWATHJCYHJHQK-QGZVFWFLSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@@H]([NH2+]CCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189902594 270072478 /nfs/dbraw/zinc/07/24/78/270072478.db2.gz CPBCOWOYVKJGKD-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)cc1C)[C@@H]1CC[NH2+]C1 ZINC000219892509 270085763 /nfs/dbraw/zinc/08/57/63/270085763.db2.gz BDAFBEZWVDWLRY-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)cc1C)[C@@H]1CC[NH2+]C1 ZINC000219892509 270085764 /nfs/dbraw/zinc/08/57/64/270085764.db2.gz BDAFBEZWVDWLRY-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000321766481 270093232 /nfs/dbraw/zinc/09/32/32/270093232.db2.gz DPHCKZRSZSFQFI-LMSBXDPUSA-N 2 2 272.436 3.458 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000312312234 270092454 /nfs/dbraw/zinc/09/24/54/270092454.db2.gz ZZECTWBWRWPORU-DJIMGWMZSA-N 2 2 292.492 3.411 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)[C@H]1C[C@@H]1C ZINC000322037005 270093466 /nfs/dbraw/zinc/09/34/66/270093466.db2.gz NFIIPUCCKKYVSV-QEJZJMRPSA-N 2 2 271.408 3.369 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000525288173 270118792 /nfs/dbraw/zinc/11/87/92/270118792.db2.gz SQIUEMQIWQFIIF-CYBMUJFWSA-N 2 2 260.425 3.043 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000525288173 270118793 /nfs/dbraw/zinc/11/87/93/270118793.db2.gz SQIUEMQIWQFIIF-CYBMUJFWSA-N 2 2 260.425 3.043 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527751640 270134511 /nfs/dbraw/zinc/13/45/11/270134511.db2.gz XNMZVOWJORGXQS-CRAIPNDOSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527751640 270134512 /nfs/dbraw/zinc/13/45/12/270134512.db2.gz XNMZVOWJORGXQS-CRAIPNDOSA-N 2 2 270.420 3.063 20 0 CGADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2[nH]1 ZINC000527805459 270137089 /nfs/dbraw/zinc/13/70/89/270137089.db2.gz AKIHKTCFDDXSPI-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2[nH]1 ZINC000527805459 270137090 /nfs/dbraw/zinc/13/70/90/270137090.db2.gz AKIHKTCFDDXSPI-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC12CC2 ZINC000527862007 270140427 /nfs/dbraw/zinc/14/04/27/270140427.db2.gz DYAFGASDPDCWLL-CJNGLKHVSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527847952 270139404 /nfs/dbraw/zinc/13/94/04/270139404.db2.gz QRIUYVXGZJKBAA-UAGQMJEPSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527847952 270139405 /nfs/dbraw/zinc/13/94/05/270139405.db2.gz QRIUYVXGZJKBAA-UAGQMJEPSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527847947 270139599 /nfs/dbraw/zinc/13/95/99/270139599.db2.gz QRIUYVXGZJKBAA-BHYGNILZSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527847947 270139600 /nfs/dbraw/zinc/13/96/00/270139600.db2.gz QRIUYVXGZJKBAA-BHYGNILZSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)[NH+](C)C)cc1 ZINC000527855773 270139809 /nfs/dbraw/zinc/13/98/09/270139809.db2.gz ODKVVPMTTLCSSQ-PVAVHDDUSA-N 2 2 272.436 3.376 20 0 CGADLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527858902 270140268 /nfs/dbraw/zinc/14/02/68/270140268.db2.gz NAAXKQOCMYBWSQ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP CCC[N@H+]1CC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527858902 270140269 /nfs/dbraw/zinc/14/02/69/270140269.db2.gz NAAXKQOCMYBWSQ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)[nH+]c1 ZINC000527985914 270148662 /nfs/dbraw/zinc/14/86/62/270148662.db2.gz NTXIVOYNKZOELC-MRXNPFEDSA-N 2 2 285.435 3.386 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528012138 270151173 /nfs/dbraw/zinc/15/11/73/270151173.db2.gz OCVUHFZGLDGPKL-HOCLYGCPSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528012138 270151174 /nfs/dbraw/zinc/15/11/74/270151174.db2.gz OCVUHFZGLDGPKL-HOCLYGCPSA-N 2 2 276.424 3.207 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528010780 270151307 /nfs/dbraw/zinc/15/13/07/270151307.db2.gz JPLDKDGYMVMWBM-WMLDXEAASA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528010780 270151308 /nfs/dbraw/zinc/15/13/08/270151308.db2.gz JPLDKDGYMVMWBM-WMLDXEAASA-N 2 2 288.435 3.363 20 0 CGADLP c1cc2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2[nH]1 ZINC000529535239 270183018 /nfs/dbraw/zinc/18/30/18/270183018.db2.gz RGORDFRILOZXOM-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529536776 270183176 /nfs/dbraw/zinc/18/31/76/270183176.db2.gz QSCMUDYGRCVLFF-CZUORRHYSA-N 2 2 296.405 3.183 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCCC[C@@H]1C ZINC000529536313 270183333 /nfs/dbraw/zinc/18/33/33/270183333.db2.gz YKGSZNSIQRGSTF-XQQFMLRXSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCCC[C@@H]1C ZINC000529536313 270183334 /nfs/dbraw/zinc/18/33/34/270183334.db2.gz YKGSZNSIQRGSTF-XQQFMLRXSA-N 2 2 274.399 3.273 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529548989 270184141 /nfs/dbraw/zinc/18/41/41/270184141.db2.gz MWIWORIJKGQHOG-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529548989 270184142 /nfs/dbraw/zinc/18/41/42/270184142.db2.gz MWIWORIJKGQHOG-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc2ccccc2o1 ZINC000530223602 270196470 /nfs/dbraw/zinc/19/64/70/270196470.db2.gz TXCZQHTUZXNKKC-LRDDRELGSA-N 2 2 270.376 3.368 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530222188 270196509 /nfs/dbraw/zinc/19/65/09/270196509.db2.gz QVUGSHDOSZYLBG-HOCLYGCPSA-N 2 2 258.409 3.239 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530216051 270195806 /nfs/dbraw/zinc/19/58/06/270195806.db2.gz MFDFEGRUILDHGJ-CHWSQXEVSA-N 2 2 250.411 3.073 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217878 270196016 /nfs/dbraw/zinc/19/60/16/270196016.db2.gz HUQIFHOEQYYIFR-SMDDNHRTSA-N 2 2 264.800 3.275 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530217468 270196066 /nfs/dbraw/zinc/19/60/66/270196066.db2.gz GVZPZCGARSXEKB-GDBMZVCRSA-N 2 2 258.409 3.239 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530220402 270196150 /nfs/dbraw/zinc/19/61/50/270196150.db2.gz OALFBDTYAOVOKY-BBRMVZONSA-N 2 2 274.408 3.021 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530225274 270196387 /nfs/dbraw/zinc/19/63/87/270196387.db2.gz XLLZFMYZYJZTLJ-YPMHNXCESA-N 2 2 250.411 3.073 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530220546 270196577 /nfs/dbraw/zinc/19/65/77/270196577.db2.gz OOUNEBGRQYKBGL-IRXDYDNUSA-N 2 2 288.435 3.411 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C(C)C ZINC000531685623 270208510 /nfs/dbraw/zinc/20/85/10/270208510.db2.gz BTXGNOIIRFFSBY-HNNXBMFYSA-N 2 2 284.513 3.372 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531951761 270211440 /nfs/dbraw/zinc/21/14/40/270211440.db2.gz UJBCTZNAHQUABV-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531951761 270211441 /nfs/dbraw/zinc/21/14/41/270211441.db2.gz UJBCTZNAHQUABV-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979028 270211835 /nfs/dbraw/zinc/21/18/35/270211835.db2.gz WYQSNEWUXUFXTC-HUUCEWRRSA-N 2 2 292.492 3.490 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979028 270211836 /nfs/dbraw/zinc/21/18/36/270211836.db2.gz WYQSNEWUXUFXTC-HUUCEWRRSA-N 2 2 292.492 3.490 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531980277 270212084 /nfs/dbraw/zinc/21/20/84/270212084.db2.gz QIBBAXRGMJHTPH-YJBOKZPZSA-N 2 2 286.463 3.254 20 0 CGADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000532230922 270214497 /nfs/dbraw/zinc/21/44/97/270214497.db2.gz IJJBYUCUMWZYPQ-STQMWFEESA-N 2 2 250.430 3.028 20 0 CGADLP CCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000532232125 270214551 /nfs/dbraw/zinc/21/45/51/270214551.db2.gz ZQETUUKAPYPCBE-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000531944608 270210877 /nfs/dbraw/zinc/21/08/77/270210877.db2.gz JMZKBHOKGMLYCA-JLSDUUJJSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000531944608 270210878 /nfs/dbraw/zinc/21/08/78/270210878.db2.gz JMZKBHOKGMLYCA-JLSDUUJJSA-N 2 2 272.436 3.456 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423243848 273685801 /nfs/dbraw/zinc/68/58/01/273685801.db2.gz KNOAVURNLPUKEP-MFKMUULPSA-N 2 2 297.240 3.197 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300413652 274263044 /nfs/dbraw/zinc/26/30/44/274263044.db2.gz FDMJIZMSQZMQCK-FMKPAKJESA-N 2 2 285.391 3.090 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423326740 274961201 /nfs/dbraw/zinc/96/12/01/274961201.db2.gz QYPREXJFHLRAFS-CHWSQXEVSA-N 2 2 285.218 3.308 20 0 CGADLP c1cn2c([nH+]1)[C@H](C[NH2+]C1CCc3ccccc3CC1)CCC2 ZINC000453113287 275073122 /nfs/dbraw/zinc/07/31/22/275073122.db2.gz FIERWGABFFCPLH-KRWDZBQOSA-N 2 2 295.430 3.298 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255304496 287862550 /nfs/dbraw/zinc/86/25/50/287862550.db2.gz LPNDHGOEDYHIFM-TWGQIWQCSA-N 2 2 258.409 3.162 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423564752 276143471 /nfs/dbraw/zinc/14/34/71/276143471.db2.gz SCUXLBGKSLOZBV-XJKSGUPXSA-N 2 2 258.409 3.141 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019960902 276174682 /nfs/dbraw/zinc/17/46/82/276174682.db2.gz CEUNYTAWEIIOBG-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019960902 276174684 /nfs/dbraw/zinc/17/46/84/276174684.db2.gz CEUNYTAWEIIOBG-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092300 276179104 /nfs/dbraw/zinc/17/91/04/276179104.db2.gz ATFMMLKLIDCFET-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092300 276179106 /nfs/dbraw/zinc/17/91/06/276179106.db2.gz ATFMMLKLIDCFET-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359072229 276180315 /nfs/dbraw/zinc/18/03/15/276180315.db2.gz MTAYNHUAKWGDCR-WNRNVDISSA-N 2 2 294.483 3.068 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359072229 276180317 /nfs/dbraw/zinc/18/03/17/276180317.db2.gz MTAYNHUAKWGDCR-WNRNVDISSA-N 2 2 294.483 3.068 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341757428 276187959 /nfs/dbraw/zinc/18/79/59/276187959.db2.gz JCRPOAOYKGDCCJ-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341757428 276187960 /nfs/dbraw/zinc/18/79/60/276187960.db2.gz JCRPOAOYKGDCCJ-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CCC1(C)CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334403177 276215458 /nfs/dbraw/zinc/21/54/58/276215458.db2.gz GJMDVMGFLVGCCE-MFOWVQHXSA-N 2 2 261.413 3.216 20 0 CGADLP CCC1(C)CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334403177 276215459 /nfs/dbraw/zinc/21/54/59/276215459.db2.gz GJMDVMGFLVGCCE-MFOWVQHXSA-N 2 2 261.413 3.216 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000300670011 276348600 /nfs/dbraw/zinc/34/86/00/276348600.db2.gz SHWAAAPUSVHJNJ-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000300670011 276348602 /nfs/dbraw/zinc/34/86/02/276348602.db2.gz SHWAAAPUSVHJNJ-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP CCSCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000355732411 276394953 /nfs/dbraw/zinc/39/49/53/276394953.db2.gz JQCMBKCCFDDYFW-MRXNPFEDSA-N 2 2 278.465 3.166 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337505369 276794795 /nfs/dbraw/zinc/79/47/95/276794795.db2.gz FFJQCCDNHQSYAS-IAGOWNOFSA-N 2 2 272.436 3.082 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000365052128 276805501 /nfs/dbraw/zinc/80/55/01/276805501.db2.gz GHMZPUFBNIVCNO-RCCFBDPRSA-N 2 2 294.483 3.047 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000021806999 276864779 /nfs/dbraw/zinc/86/47/79/276864779.db2.gz LCBIBPNWNMKEIY-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423476520 287932346 /nfs/dbraw/zinc/93/23/46/287932346.db2.gz SOMKTCHCVADCGH-HOCLYGCPSA-N 2 2 276.424 3.351 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471597335 277632751 /nfs/dbraw/zinc/63/27/51/277632751.db2.gz DKHNGYOPQJNNQW-JHNDHUHGSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000339576762 278026270 /nfs/dbraw/zinc/02/62/70/278026270.db2.gz MXIDXDRNIYTBRK-RDBSUJKOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000339576762 278026271 /nfs/dbraw/zinc/02/62/71/278026271.db2.gz MXIDXDRNIYTBRK-RDBSUJKOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000313251889 278348772 /nfs/dbraw/zinc/34/87/72/278348772.db2.gz JWNBHYNUBSBLJM-ZZFFKQLHSA-N 2 2 287.451 3.157 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCCC1 ZINC000336608212 278388347 /nfs/dbraw/zinc/38/83/47/278388347.db2.gz IEJYTIBHXBQZPD-HIFRSBDPSA-N 2 2 261.413 3.146 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377412752 278399583 /nfs/dbraw/zinc/39/95/83/278399583.db2.gz OLGOMEMPUMOCPX-ABAIWWIYSA-N 2 2 285.391 3.163 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377412752 278399586 /nfs/dbraw/zinc/39/95/86/278399586.db2.gz OLGOMEMPUMOCPX-ABAIWWIYSA-N 2 2 285.391 3.163 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(C)ccc1OC ZINC000423548537 288066366 /nfs/dbraw/zinc/06/63/66/288066366.db2.gz GRLNGWBSCOWNNV-ZBFHGGJFSA-N 2 2 276.424 3.186 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000226316230 279002098 /nfs/dbraw/zinc/00/20/98/279002098.db2.gz SIHPAZMZVTYLEI-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000226316230 279002100 /nfs/dbraw/zinc/00/21/00/279002100.db2.gz SIHPAZMZVTYLEI-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)CCC2 ZINC000487277898 279004278 /nfs/dbraw/zinc/00/42/78/279004278.db2.gz MZNNMKFLTIZGCJ-HZSPNIEDSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CCC[N@@H+]1C ZINC000349701379 279126659 /nfs/dbraw/zinc/12/66/59/279126659.db2.gz WTVZBENZVBHTRQ-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CCC[N@H+]1C ZINC000349701379 279126661 /nfs/dbraw/zinc/12/66/61/279126661.db2.gz WTVZBENZVBHTRQ-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP CC[N@H+](Cc1c(Cl)cccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000420304774 279233313 /nfs/dbraw/zinc/23/33/13/279233313.db2.gz FRVCNEYEZGRNDW-ZDUSSCGKSA-N 2 2 296.842 3.313 20 0 CGADLP CC[N@@H+](Cc1c(Cl)cccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000420304774 279233314 /nfs/dbraw/zinc/23/33/14/279233314.db2.gz FRVCNEYEZGRNDW-ZDUSSCGKSA-N 2 2 296.842 3.313 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336655123 279283860 /nfs/dbraw/zinc/28/38/60/279283860.db2.gz FUORMISDQPKXEH-PNBKFKSVSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336655123 279283864 /nfs/dbraw/zinc/28/38/64/279283864.db2.gz FUORMISDQPKXEH-PNBKFKSVSA-N 2 2 260.425 3.141 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453040 279295497 /nfs/dbraw/zinc/29/54/97/279295497.db2.gz QFUJTHWGPFTZBL-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453040 279295498 /nfs/dbraw/zinc/29/54/98/279295498.db2.gz QFUJTHWGPFTZBL-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@H+](C)Cc1ccccc1 ZINC000340477186 279348422 /nfs/dbraw/zinc/34/84/22/279348422.db2.gz XBZCCXLCKMDXFN-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340477186 279348425 /nfs/dbraw/zinc/34/84/25/279348425.db2.gz XBZCCXLCKMDXFN-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360433 288133025 /nfs/dbraw/zinc/13/30/25/288133025.db2.gz WEVRQNYQEIJXKE-DUFGSWQCSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360433 288133026 /nfs/dbraw/zinc/13/30/26/288133026.db2.gz WEVRQNYQEIJXKE-DUFGSWQCSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2sccc21 ZINC000414129633 279748634 /nfs/dbraw/zinc/74/86/34/279748634.db2.gz VOMHFEDXIYLTMB-SMDDNHRTSA-N 2 2 275.421 3.252 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427873312 279869882 /nfs/dbraw/zinc/86/98/82/279869882.db2.gz FGQRATAHHOQFTF-DLBZAZTESA-N 2 2 283.419 3.055 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527642253 288180205 /nfs/dbraw/zinc/18/02/05/288180205.db2.gz YKCCOSJTUGHPST-JVPBZIDWSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000527668234 288186436 /nfs/dbraw/zinc/18/64/36/288186436.db2.gz UWHWDLWJCFXJFB-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000527668234 288186439 /nfs/dbraw/zinc/18/64/39/288186439.db2.gz UWHWDLWJCFXJFB-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)c2ccsc2S1 ZINC000335054700 280009002 /nfs/dbraw/zinc/00/90/02/280009002.db2.gz UTXZNKPPROUNML-ONGXEEELSA-N 2 2 268.451 3.145 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccsc2S1 ZINC000423310983 280010703 /nfs/dbraw/zinc/01/07/03/280010703.db2.gz BBXAWIYGYPOSIA-AXTRIDKLSA-N 2 2 268.451 3.000 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000295140083 280013279 /nfs/dbraw/zinc/01/32/79/280013279.db2.gz ZMIHSSOVDGSOCM-QDEZUTFSSA-N 2 2 286.419 3.114 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000295140083 280013280 /nfs/dbraw/zinc/01/32/80/280013280.db2.gz ZMIHSSOVDGSOCM-QDEZUTFSSA-N 2 2 286.419 3.114 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152765160 280034378 /nfs/dbraw/zinc/03/43/78/280034378.db2.gz ILZQQDRPHZTMKM-IFXJQAMLSA-N 2 2 295.430 3.285 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+]1CCCC1 ZINC000453098870 280145742 /nfs/dbraw/zinc/14/57/42/280145742.db2.gz XHZFJLXBPZNBRQ-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[NH+]1CCCCCC1 ZINC000337375440 280177472 /nfs/dbraw/zinc/17/74/72/280177472.db2.gz GKCMCGWKJFSCQU-OAGGEKHMSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000251308914 280283207 /nfs/dbraw/zinc/28/32/07/280283207.db2.gz JTKXYCYAOCCGQK-BXUZGUMPSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000251308914 280283208 /nfs/dbraw/zinc/28/32/08/280283208.db2.gz JTKXYCYAOCCGQK-BXUZGUMPSA-N 2 2 270.367 3.331 20 0 CGADLP Cc1ccc2c(C)cc(N3CCC[C@H]([NH+](C)C)C3)[nH+]c2c1 ZINC000460949179 281040501 /nfs/dbraw/zinc/04/05/01/281040501.db2.gz YLCDRFKDQIYWJS-HNNXBMFYSA-N 2 2 283.419 3.382 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359945554 281272123 /nfs/dbraw/zinc/27/21/23/281272123.db2.gz XKMVJEYBMYNGIS-BZSNNMDCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359945554 281272124 /nfs/dbraw/zinc/27/21/24/281272124.db2.gz XKMVJEYBMYNGIS-BZSNNMDCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188953266 281284956 /nfs/dbraw/zinc/28/49/56/281284956.db2.gz HRSRGJHRRFSNBU-CPUCHLNUSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188953266 281284958 /nfs/dbraw/zinc/28/49/58/281284958.db2.gz HRSRGJHRRFSNBU-CPUCHLNUSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353611941 281304338 /nfs/dbraw/zinc/30/43/38/281304338.db2.gz PRNHMDOKIFLVOU-WWGRRREGSA-N 2 2 281.403 3.414 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353611941 281304340 /nfs/dbraw/zinc/30/43/40/281304340.db2.gz PRNHMDOKIFLVOU-WWGRRREGSA-N 2 2 281.403 3.414 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000427874897 281376761 /nfs/dbraw/zinc/37/67/61/281376761.db2.gz NVPGPWLVFODZSM-JSGCOSHPSA-N 2 2 285.391 3.094 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423551727 281377400 /nfs/dbraw/zinc/37/74/00/281377400.db2.gz JKFZBPUQWDPHEC-GXTWGEPZSA-N 2 2 262.397 3.025 20 0 CGADLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000531728195 288343888 /nfs/dbraw/zinc/34/38/88/288343888.db2.gz DVOVCGSXASSIFZ-QAPCUYQASA-N 2 2 290.451 3.468 20 0 CGADLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000531728195 288343890 /nfs/dbraw/zinc/34/38/90/288343890.db2.gz DVOVCGSXASSIFZ-QAPCUYQASA-N 2 2 290.451 3.468 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCOCC1 ZINC000532188584 288353895 /nfs/dbraw/zinc/35/38/95/288353895.db2.gz SBFYATLZHIIFEF-INIZCTEOSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000532197466 288354737 /nfs/dbraw/zinc/35/47/37/288354737.db2.gz QJRWOEFPFVYBLD-WMLDXEAASA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000532197466 288354741 /nfs/dbraw/zinc/35/47/41/288354741.db2.gz QJRWOEFPFVYBLD-WMLDXEAASA-N 2 2 260.425 3.211 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000532240375 288357748 /nfs/dbraw/zinc/35/77/48/288357748.db2.gz OCQIMSBXSKGNMB-APWZRJJASA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000532240375 288357751 /nfs/dbraw/zinc/35/77/51/288357751.db2.gz OCQIMSBXSKGNMB-APWZRJJASA-N 2 2 286.463 3.248 20 0 CGADLP CCc1ccccc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000536337671 288478627 /nfs/dbraw/zinc/47/86/27/288478627.db2.gz DJPDMMOYHPDVBP-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCCCC2)C(C)C)cc1 ZINC000536961043 288511322 /nfs/dbraw/zinc/51/13/22/288511322.db2.gz VEDCKRKKKLNOLH-SFHVURJKSA-N 2 2 290.451 3.468 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000546230167 288920842 /nfs/dbraw/zinc/92/08/42/288920842.db2.gz XRJZMUHRSLZMLA-INIZCTEOSA-N 2 2 260.425 3.440 20 0 CGADLP C[NH+](C)C1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000418110496 289059096 /nfs/dbraw/zinc/05/90/96/289059096.db2.gz BXXYNIQJNRGNJY-UHFFFAOYSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@@H+]1C ZINC000437782107 289060717 /nfs/dbraw/zinc/06/07/17/289060717.db2.gz YCYRRBRWKXCGIW-MROQNXINSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@H+]1C ZINC000437782107 289060722 /nfs/dbraw/zinc/06/07/22/289060722.db2.gz YCYRRBRWKXCGIW-MROQNXINSA-N 2 2 278.362 3.180 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000550713006 289082958 /nfs/dbraw/zinc/08/29/58/289082958.db2.gz RJPNZOMFXXGCJJ-ZWKOTPCHSA-N 2 2 296.499 3.170 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000550713006 289082959 /nfs/dbraw/zinc/08/29/59/289082959.db2.gz RJPNZOMFXXGCJJ-ZWKOTPCHSA-N 2 2 296.499 3.170 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000550886663 289088651 /nfs/dbraw/zinc/08/86/51/289088651.db2.gz PPJMOFVSKWWXMY-HOTGVXAUSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@]1(C)CCCO1 ZINC000550934388 289091629 /nfs/dbraw/zinc/09/16/29/289091629.db2.gz BUYAMVUVBKEAEC-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@]1(C)CCCO1 ZINC000550934388 289091630 /nfs/dbraw/zinc/09/16/30/289091630.db2.gz BUYAMVUVBKEAEC-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000551085667 289098387 /nfs/dbraw/zinc/09/83/87/289098387.db2.gz FBNUNLDLUAYZCF-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000551085667 289098392 /nfs/dbraw/zinc/09/83/92/289098392.db2.gz FBNUNLDLUAYZCF-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc3cccnc31)CCCC2 ZINC000551569308 289122712 /nfs/dbraw/zinc/12/27/12/289122712.db2.gz ODMTWHUTDUARFY-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000554048334 289253118 /nfs/dbraw/zinc/25/31/18/289253118.db2.gz QJEKVZUFNAQROT-DDBAPUKQSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000554048334 289253119 /nfs/dbraw/zinc/25/31/19/289253119.db2.gz QJEKVZUFNAQROT-DDBAPUKQSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000554048335 289253135 /nfs/dbraw/zinc/25/31/35/289253135.db2.gz QJEKVZUFNAQROT-HPBDAGMYSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000554048335 289253136 /nfs/dbraw/zinc/25/31/36/289253136.db2.gz QJEKVZUFNAQROT-HPBDAGMYSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000554371293 289276476 /nfs/dbraw/zinc/27/64/76/289276476.db2.gz KPZIOZNTTQGEPV-ZLPCBKJTSA-N 2 2 274.452 3.427 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554376555 289278752 /nfs/dbraw/zinc/27/87/52/289278752.db2.gz BFGFNXHYGKQCLQ-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554376555 289278753 /nfs/dbraw/zinc/27/87/53/289278753.db2.gz BFGFNXHYGKQCLQ-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725517 289305133 /nfs/dbraw/zinc/30/51/33/289305133.db2.gz QTTJKEUMHGRMBQ-WJFTUGDTSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725517 289305137 /nfs/dbraw/zinc/30/51/37/289305137.db2.gz QTTJKEUMHGRMBQ-WJFTUGDTSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556607786 289400788 /nfs/dbraw/zinc/40/07/88/289400788.db2.gz CGDRYIUJQZMPNB-LLVKDONJSA-N 2 2 289.345 3.430 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCOC2(C)C)[NH+](C)C)cc1 ZINC000559722135 289553465 /nfs/dbraw/zinc/55/34/65/289553465.db2.gz QAJIMODAVQZMLB-IRXDYDNUSA-N 2 2 290.451 3.009 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C(C)C)C1CC1 ZINC000562962593 289747426 /nfs/dbraw/zinc/74/74/26/289747426.db2.gz AODZJXUZSFWIHG-IAGOWNOFSA-N 2 2 260.425 3.273 20 0 CGADLP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562968949 289748338 /nfs/dbraw/zinc/74/83/38/289748338.db2.gz FTWGGGMXZLPGNG-MSOLQXFVSA-N 2 2 288.410 3.088 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CCCC1 ZINC000474802301 289945807 /nfs/dbraw/zinc/94/58/07/289945807.db2.gz WBKFQRPDWYGSLU-HNNXBMFYSA-N 2 2 286.463 3.254 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357140 290059720 /nfs/dbraw/zinc/05/97/20/290059720.db2.gz HUYCBRORYJDNNY-SUNKGSAMSA-N 2 2 286.341 3.354 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422935132 293143522 /nfs/dbraw/zinc/14/35/22/293143522.db2.gz KTKUSRVQTOUOIB-SMDDNHRTSA-N 2 2 287.432 3.131 20 0 CGADLP COC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423498521 293166770 /nfs/dbraw/zinc/16/67/70/293166770.db2.gz IBVMYSMHDRWXRC-CVEARBPZSA-N 2 2 296.842 3.135 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000422988942 295405140 /nfs/dbraw/zinc/40/51/40/295405140.db2.gz JXSRLCAZFDFRAC-XNJGSVPQSA-N 2 2 288.391 3.093 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cscn1 ZINC000163250616 321892986 /nfs/dbraw/zinc/89/29/86/321892986.db2.gz DFZRXZRAEUAVGT-LLVKDONJSA-N 2 2 267.442 3.057 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000563443387 321998838 /nfs/dbraw/zinc/99/88/38/321998838.db2.gz GCZIFXBCJQXJIF-CHWSQXEVSA-N 2 2 280.378 3.427 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC3([NH+](C)C)CCC3)c2c1 ZINC000564893080 322048352 /nfs/dbraw/zinc/04/83/52/322048352.db2.gz JCCQJPHYRAACAE-UHFFFAOYSA-N 2 2 269.392 3.439 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)n1C ZINC000565236371 322068891 /nfs/dbraw/zinc/06/88/91/322068891.db2.gz AAHSJJGALXMTNL-SNVBAGLBSA-N 2 2 286.404 3.189 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2ccccc21 ZINC000566062401 322102246 /nfs/dbraw/zinc/10/22/46/322102246.db2.gz CVXQWBBXBWACPJ-PKOBYXMFSA-N 2 2 293.414 3.195 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000566092346 322104011 /nfs/dbraw/zinc/10/40/11/322104011.db2.gz BVNYDAJEHMYBQY-XYPHTWIQSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000567781322 322177745 /nfs/dbraw/zinc/17/77/45/322177745.db2.gz BQRHBCPHDOKQFF-IAGOWNOFSA-N 2 2 276.424 3.116 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H](C)O)[NH2+][C@H](C)c1ccccc1 ZINC000568990358 322230350 /nfs/dbraw/zinc/23/03/50/322230350.db2.gz BLBZYPKJPFQQTM-XLMAVXFVSA-N 2 2 292.467 3.111 20 0 CGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1Cl ZINC000569364204 322244876 /nfs/dbraw/zinc/24/48/76/322244876.db2.gz FUWKFPWAMNJPLH-UHFFFAOYSA-N 2 2 289.810 3.471 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccc(C)cc2C)n1C ZINC000569379912 322245910 /nfs/dbraw/zinc/24/59/10/322245910.db2.gz VTMPMGCYMGMBHT-AWEZNQCLSA-N 2 2 271.408 3.066 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000570009207 322262962 /nfs/dbraw/zinc/26/29/62/322262962.db2.gz SGIDLTGYWZBESG-LMMKCTJWSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000570009207 322262964 /nfs/dbraw/zinc/26/29/64/322262964.db2.gz SGIDLTGYWZBESG-LMMKCTJWSA-N 2 2 286.463 3.424 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000570250834 322268695 /nfs/dbraw/zinc/26/86/95/322268695.db2.gz JNGZXHKJGHAUDS-GOSISDBHSA-N 2 2 283.419 3.456 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)[C@@H](C)O)c1ccc(Cl)cc1 ZINC000571316192 322295518 /nfs/dbraw/zinc/29/55/18/322295518.db2.gz XFGJMFDXTMOPRJ-XJKCOSOUSA-N 2 2 298.858 3.082 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)[C@@H](C)O)c1ccc(Cl)cc1 ZINC000571316192 322295519 /nfs/dbraw/zinc/29/55/19/322295519.db2.gz XFGJMFDXTMOPRJ-XJKCOSOUSA-N 2 2 298.858 3.082 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000571403950 322297892 /nfs/dbraw/zinc/29/78/92/322297892.db2.gz QLEJRFJWCGAEAL-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000571403950 322297894 /nfs/dbraw/zinc/29/78/94/322297894.db2.gz QLEJRFJWCGAEAL-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCc1c[nH+]cn1C ZINC000571533459 322301366 /nfs/dbraw/zinc/30/13/66/322301366.db2.gz TUQALCKHSKUDTQ-IIAWOOMASA-N 2 2 261.413 3.006 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCc1c[nH+]cn1C ZINC000571533459 322301368 /nfs/dbraw/zinc/30/13/68/322301368.db2.gz TUQALCKHSKUDTQ-IIAWOOMASA-N 2 2 261.413 3.006 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1C ZINC000571778627 322307694 /nfs/dbraw/zinc/30/76/94/322307694.db2.gz OWRBEIAJVXKRNK-VBNZEHGJSA-N 2 2 263.429 3.279 20 0 CGADLP C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000573482399 322390144 /nfs/dbraw/zinc/39/01/44/322390144.db2.gz BTEDFWLNUCZVTM-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000573482399 322390146 /nfs/dbraw/zinc/39/01/46/322390146.db2.gz BTEDFWLNUCZVTM-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000573732906 322404223 /nfs/dbraw/zinc/40/42/23/322404223.db2.gz YCHGPTJKGIQVHJ-QGZVFWFLSA-N 2 2 285.435 3.401 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000583693603 329003790 /nfs/dbraw/zinc/00/37/90/329003790.db2.gz ZYRBTPOTQVDLAP-WMLDXEAASA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCC2 ZINC000583693603 329003791 /nfs/dbraw/zinc/00/37/91/329003791.db2.gz ZYRBTPOTQVDLAP-WMLDXEAASA-N 2 2 290.476 3.470 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+]Cc3c[nH+]c(C)n3C)cc2c1C ZINC000583155037 329323998 /nfs/dbraw/zinc/32/39/98/329323998.db2.gz KZAZIQXSILCHHG-UHFFFAOYSA-N 2 2 282.391 3.116 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397735367 329389745 /nfs/dbraw/zinc/38/97/45/329389745.db2.gz GPWXYDHSEXOUJC-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1C ZINC000576358008 335194212 /nfs/dbraw/zinc/19/42/12/335194212.db2.gz VQNSDTZUZJMGHM-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1C ZINC000576358008 335194213 /nfs/dbraw/zinc/19/42/13/335194213.db2.gz VQNSDTZUZJMGHM-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)C1CCCCC1 ZINC000576908245 335262841 /nfs/dbraw/zinc/26/28/41/335262841.db2.gz NWTFADOMSPLGFX-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)sc1C ZINC000176379466 335266151 /nfs/dbraw/zinc/26/61/51/335266151.db2.gz CIEKLWFEDHVDST-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)sc1C ZINC000176379466 335266152 /nfs/dbraw/zinc/26/61/52/335266152.db2.gz CIEKLWFEDHVDST-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCC2CC2)CC1 ZINC000577315069 335337977 /nfs/dbraw/zinc/33/79/77/335337977.db2.gz SCACFSXPRDGHQB-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000577745182 335396002 /nfs/dbraw/zinc/39/60/02/335396002.db2.gz CHWZZNKBKOMNJO-UHFFFAOYSA-N 2 2 289.810 3.070 20 0 CGADLP CC1=CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000578680222 335663128 /nfs/dbraw/zinc/66/31/28/335663128.db2.gz FOPHJFCNEKBIDV-ROUUACIJSA-N 2 2 272.436 3.248 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(C)(C)C)cs1 ZINC000184478809 335927060 /nfs/dbraw/zinc/92/70/60/335927060.db2.gz NPUPBQSUBLAHCU-LBPRGKRZSA-N 2 2 292.452 3.378 20 0 CGADLP FC1(F)CC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000383207179 336105949 /nfs/dbraw/zinc/10/59/49/336105949.db2.gz BFVLSXVIOFALAA-MRXNPFEDSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000383207179 336105951 /nfs/dbraw/zinc/10/59/51/336105951.db2.gz BFVLSXVIOFALAA-MRXNPFEDSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386156874 336167062 /nfs/dbraw/zinc/16/70/62/336167062.db2.gz TZFCIUGIOQYALF-FZMZJTMJSA-N 2 2 286.341 3.326 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000449139415 533786618 /nfs/dbraw/zinc/78/66/18/533786618.db2.gz KZBBAUDZVBRCGY-YCPHGPKFSA-N 2 2 292.492 3.457 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1 ZINC000437100032 533832449 /nfs/dbraw/zinc/83/24/49/533832449.db2.gz UHHAXJJJQBTKNV-CABCVRRESA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414060647 533845412 /nfs/dbraw/zinc/84/54/12/533845412.db2.gz YASAQCMUHPPSIM-ZDUSSCGKSA-N 2 2 289.448 3.412 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000436444343 533848393 /nfs/dbraw/zinc/84/83/93/533848393.db2.gz MZQOTOGBHILOFA-STQMWFEESA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000436444343 533848402 /nfs/dbraw/zinc/84/84/02/533848402.db2.gz MZQOTOGBHILOFA-STQMWFEESA-N 2 2 285.391 3.138 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423263502 533883817 /nfs/dbraw/zinc/88/38/17/533883817.db2.gz OOQYBQRBPUGLLK-DGCLKSJQSA-N 2 2 284.831 3.373 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)cn1 ZINC000423401978 533886908 /nfs/dbraw/zinc/88/69/08/533886908.db2.gz XZPWXJFFMUZYEZ-FZMZJTMJSA-N 2 2 281.831 3.164 20 0 CGADLP Cc1cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423915812 533989091 /nfs/dbraw/zinc/98/90/91/533989091.db2.gz WNEZJISGXMWGHL-CHWSQXEVSA-N 2 2 299.374 3.104 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000414129119 534129052 /nfs/dbraw/zinc/12/90/52/534129052.db2.gz UJNPFIRAAJLXCF-GOSISDBHSA-N 2 2 285.435 3.128 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000369540520 534170387 /nfs/dbraw/zinc/17/03/87/534170387.db2.gz JLKDPXZJULTXCC-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP CC(C)[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151317916 519792304 /nfs/dbraw/zinc/79/23/04/519792304.db2.gz CAPVMEVIKXVNKL-CQSZACIVSA-N 2 2 257.381 3.066 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000157107870 519817768 /nfs/dbraw/zinc/81/77/68/519817768.db2.gz MMFXIMWIVDRUNF-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000157107870 519817769 /nfs/dbraw/zinc/81/77/69/519817769.db2.gz MMFXIMWIVDRUNF-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@H+]3CC=C(C)CC3)ccc2n1 ZINC000437960327 534468784 /nfs/dbraw/zinc/46/87/84/534468784.db2.gz FHFXETZCLGHLPE-UHFFFAOYSA-N 2 2 295.430 3.285 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@@H+]3CC=C(C)CC3)ccc2n1 ZINC000437960327 534468797 /nfs/dbraw/zinc/46/87/97/534468797.db2.gz FHFXETZCLGHLPE-UHFFFAOYSA-N 2 2 295.430 3.285 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)oc2c1 ZINC000425937564 534474170 /nfs/dbraw/zinc/47/41/70/534474170.db2.gz SDFHLSMHXHUKRT-ZDUSSCGKSA-N 2 2 269.348 3.289 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCCC23CCC3)[nH+]c1 ZINC000449220959 534496249 /nfs/dbraw/zinc/49/62/49/534496249.db2.gz FLWSCNAWBLGGQM-AWEZNQCLSA-N 2 2 259.397 3.196 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CCS2 ZINC000423545023 534502217 /nfs/dbraw/zinc/50/22/17/534502217.db2.gz DLXJSQVAPHDMEX-JSGCOSHPSA-N 2 2 280.412 3.094 20 0 CGADLP CCOC1CC([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000158008187 521651126 /nfs/dbraw/zinc/65/11/26/521651126.db2.gz BFHWLBMYDLTLHF-ABHNRTSZSA-N 2 2 290.451 3.227 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(OC)ccc2ccccc21 ZINC000156585229 522086687 /nfs/dbraw/zinc/08/66/87/522086687.db2.gz UVEOVTBZHURZLR-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(OC)ccc2ccccc21 ZINC000156585229 522086692 /nfs/dbraw/zinc/08/66/92/522086692.db2.gz UVEOVTBZHURZLR-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027853 523088426 /nfs/dbraw/zinc/08/84/26/523088426.db2.gz DPTASWIEPZBHAY-KBPBESRZSA-N 2 2 252.789 3.214 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027853 523088431 /nfs/dbraw/zinc/08/84/31/523088431.db2.gz DPTASWIEPZBHAY-KBPBESRZSA-N 2 2 252.789 3.214 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000157097812 524850417 /nfs/dbraw/zinc/85/04/17/524850417.db2.gz NVWDFTAOJSUJHO-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000049235975 525289626 /nfs/dbraw/zinc/28/96/26/525289626.db2.gz BMOBAEDBROHDIQ-ZDUSSCGKSA-N 2 2 266.348 3.240 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133886 525602979 /nfs/dbraw/zinc/60/29/79/525602979.db2.gz QRVFMOUQTMXQBI-QGZVFWFLSA-N 2 2 299.418 3.394 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1(C)C ZINC000463021676 534904178 /nfs/dbraw/zinc/90/41/78/534904178.db2.gz HMWOCEIFURUJRM-USXIJHARSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1(C)C ZINC000463021676 534904183 /nfs/dbraw/zinc/90/41/83/534904183.db2.gz HMWOCEIFURUJRM-USXIJHARSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365087763 527408444 /nfs/dbraw/zinc/40/84/44/527408444.db2.gz YEETVBJGUZDZSK-SJLPKXTDSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365087763 527408448 /nfs/dbraw/zinc/40/84/48/527408448.db2.gz YEETVBJGUZDZSK-SJLPKXTDSA-N 2 2 287.451 3.238 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2ccoc21 ZINC000449044345 527900700 /nfs/dbraw/zinc/90/07/00/527900700.db2.gz DELXBHOLIKFTIQ-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2ccoc21 ZINC000449044345 527900705 /nfs/dbraw/zinc/90/07/05/527900705.db2.gz DELXBHOLIKFTIQ-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ccoc21 ZINC000449044345 527900710 /nfs/dbraw/zinc/90/07/10/527900710.db2.gz DELXBHOLIKFTIQ-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2ccoc21 ZINC000449044345 527900715 /nfs/dbraw/zinc/90/07/15/527900715.db2.gz DELXBHOLIKFTIQ-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000423401608 528204867 /nfs/dbraw/zinc/20/48/67/528204867.db2.gz RBEYALFLRORMLN-WDEREUQCSA-N 2 2 270.804 3.125 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423572114 528236392 /nfs/dbraw/zinc/23/63/92/528236392.db2.gz YGSLBOPMYSUPJN-WBVHZDCISA-N 2 2 276.424 3.268 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000423238863 528332708 /nfs/dbraw/zinc/33/27/08/528332708.db2.gz FLNHJHNPKMAHJO-HNNXBMFYSA-N 2 2 266.454 3.002 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000423236846 528335007 /nfs/dbraw/zinc/33/50/07/528335007.db2.gz CXONTUTWZZSGQN-KRWDZBQOSA-N 2 2 276.424 3.126 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423379465 528422200 /nfs/dbraw/zinc/42/22/00/528422200.db2.gz LXEMNYVVEFZBBD-RISCZKNCSA-N 2 2 254.805 3.379 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423370989 528422231 /nfs/dbraw/zinc/42/22/31/528422231.db2.gz ABYPSLYIFBFOEA-NEPJUHHUSA-N 2 2 252.427 3.057 20 0 CGADLP CCN(CCC[NH+](C)C)c1[nH+]ccc2c(OC)cccc21 ZINC000425260430 528442929 /nfs/dbraw/zinc/44/29/29/528442929.db2.gz XELRPCMSZPPOFC-UHFFFAOYSA-N 2 2 287.407 3.021 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423305145 528513239 /nfs/dbraw/zinc/51/32/39/528513239.db2.gz BDNBHQYYDWIHIS-LBPRGKRZSA-N 2 2 266.454 3.277 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000423308805 528513263 /nfs/dbraw/zinc/51/32/63/528513263.db2.gz KAUDTDMDKHFXSV-ZDUSSCGKSA-N 2 2 254.443 3.425 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423311419 528515563 /nfs/dbraw/zinc/51/55/63/528515563.db2.gz QAQMQYJKRWDXHW-CYBMUJFWSA-N 2 2 260.381 3.391 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423308975 528515575 /nfs/dbraw/zinc/51/55/75/528515575.db2.gz KLGWJKNSLOVCEM-CQSZACIVSA-N 2 2 264.413 3.124 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000423271527 528519362 /nfs/dbraw/zinc/51/93/62/528519362.db2.gz XWYSQAQDACUHNZ-VXGBXAGGSA-N 2 2 286.366 3.312 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423525347 528571424 /nfs/dbraw/zinc/57/14/24/528571424.db2.gz PIYQTAFUGCPWJK-CVEARBPZSA-N 2 2 296.842 3.005 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(OCCC)c1 ZINC000423373134 528720917 /nfs/dbraw/zinc/72/09/17/528720917.db2.gz RMBLUIHPMPAMRF-UONOGXRCSA-N 2 2 294.439 3.262 20 0 CGADLP CC(F)(F)CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449348017 528723568 /nfs/dbraw/zinc/72/35/68/528723568.db2.gz AAXCPAYIJKTUIU-UHFFFAOYSA-N 2 2 297.393 3.071 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423354635 528726842 /nfs/dbraw/zinc/72/68/42/528726842.db2.gz DDGCCNCFJHBTQK-GRDNDAEWSA-N 2 2 276.424 3.124 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423281416 528954771 /nfs/dbraw/zinc/95/47/71/528954771.db2.gz BHNJNCSWNSCZKO-ZDUSSCGKSA-N 2 2 268.351 3.059 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437077200 528962096 /nfs/dbraw/zinc/96/20/96/528962096.db2.gz NHRDFISWXOXIOH-KRWDZBQOSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424333958 529001518 /nfs/dbraw/zinc/00/15/18/529001518.db2.gz UZNKDTZBWYPSPW-IAGOWNOFSA-N 2 2 276.399 3.086 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CC3(C)C)sc2C1 ZINC000426562101 529085128 /nfs/dbraw/zinc/08/51/28/529085128.db2.gz ZGFMXRZMGIDVEC-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CC3(C)C)sc2C1 ZINC000426562101 529085132 /nfs/dbraw/zinc/08/51/32/529085132.db2.gz ZGFMXRZMGIDVEC-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CC3(C)C)sc2C1 ZINC000426562101 529085135 /nfs/dbraw/zinc/08/51/35/529085135.db2.gz ZGFMXRZMGIDVEC-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CC3(C)C)sc2C1 ZINC000426562101 529085136 /nfs/dbraw/zinc/08/51/36/529085136.db2.gz ZGFMXRZMGIDVEC-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436271392 529091633 /nfs/dbraw/zinc/09/16/33/529091633.db2.gz DTRUROZTXTVRBM-QYZOEREBSA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436271392 529091638 /nfs/dbraw/zinc/09/16/38/529091638.db2.gz DTRUROZTXTVRBM-QYZOEREBSA-N 2 2 286.463 3.472 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423196225 529125546 /nfs/dbraw/zinc/12/55/46/529125546.db2.gz UXGSSVPRFNMDRW-DOMZBBRYSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc(Cl)ccc1OC ZINC000359498144 529165463 /nfs/dbraw/zinc/16/54/63/529165463.db2.gz BTFSPEBTULVDPP-OAHLLOKOSA-N 2 2 296.842 3.485 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC)cc1 ZINC000423253198 529174625 /nfs/dbraw/zinc/17/46/25/529174625.db2.gz YOTQDWJLOVGRLU-QZTJIDSGSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423229583 529175337 /nfs/dbraw/zinc/17/53/37/529175337.db2.gz BPOCIDMDBIKGJQ-GXTWGEPZSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC)cc1 ZINC000423253200 529178694 /nfs/dbraw/zinc/17/86/94/529178694.db2.gz YOTQDWJLOVGRLU-ZWKOTPCHSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423245808 529179142 /nfs/dbraw/zinc/17/91/42/529179142.db2.gz YSNVQCRBBIATOV-TZMCWYRMSA-N 2 2 282.815 3.141 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423241707 529246782 /nfs/dbraw/zinc/24/67/82/529246782.db2.gz VGJJVBRVVUFQEY-OCCSQVGLSA-N 2 2 264.438 3.201 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368220098 529252690 /nfs/dbraw/zinc/25/26/90/529252690.db2.gz DZZKSKPVCSFMSJ-CYBMUJFWSA-N 2 2 287.432 3.169 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368220098 529252691 /nfs/dbraw/zinc/25/26/91/529252691.db2.gz DZZKSKPVCSFMSJ-CYBMUJFWSA-N 2 2 287.432 3.169 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423354961 529257627 /nfs/dbraw/zinc/25/76/27/529257627.db2.gz DITWNQMBLPFPOX-IPYPFGDCSA-N 2 2 278.465 3.447 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCCO1 ZINC000439475378 529296957 /nfs/dbraw/zinc/29/69/57/529296957.db2.gz FMLAYVXOVPQRTB-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCCO1 ZINC000439475378 529296958 /nfs/dbraw/zinc/29/69/58/529296958.db2.gz FMLAYVXOVPQRTB-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(C)cs1 ZINC000089615738 529370018 /nfs/dbraw/zinc/37/00/18/529370018.db2.gz TXXKEQWNYGGODN-HIFRSBDPSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(C)cs1 ZINC000089615738 529370022 /nfs/dbraw/zinc/37/00/22/529370022.db2.gz TXXKEQWNYGGODN-HIFRSBDPSA-N 2 2 281.469 3.151 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000124553382 535063264 /nfs/dbraw/zinc/06/32/64/535063264.db2.gz XCWXJMZUQUWGJE-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000124553382 535063268 /nfs/dbraw/zinc/06/32/68/535063268.db2.gz XCWXJMZUQUWGJE-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CCn1cc[nH+]c1CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000450680823 536111075 /nfs/dbraw/zinc/11/10/75/536111075.db2.gz LOAWOTOXWVPHJX-UHFFFAOYSA-N 2 2 296.374 3.380 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2c(Cl)cccc2C1 ZINC000124284017 536370140 /nfs/dbraw/zinc/37/01/40/536370140.db2.gz IJDFRBDUMQGNMK-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2c(Cl)cccc2C1 ZINC000124284017 536370142 /nfs/dbraw/zinc/37/01/42/536370142.db2.gz IJDFRBDUMQGNMK-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000124284017 536370145 /nfs/dbraw/zinc/37/01/45/536370145.db2.gz IJDFRBDUMQGNMK-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000124284017 536370146 /nfs/dbraw/zinc/37/01/46/536370146.db2.gz IJDFRBDUMQGNMK-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H](C)C(C)(C)C)c[nH+]c12 ZINC000742371245 572569892 /nfs/dbraw/zinc/56/98/92/572569892.db2.gz LUZIBVLVXITQRQ-CYBMUJFWSA-N 2 2 259.397 3.415 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892035025 618497967 /nfs/dbraw/zinc/49/79/67/618497967.db2.gz WVJCILCZMLNHBY-LBPRGKRZSA-N 2 2 286.341 3.147 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892035025 618497973 /nfs/dbraw/zinc/49/79/73/618497973.db2.gz WVJCILCZMLNHBY-LBPRGKRZSA-N 2 2 286.341 3.147 20 0 CGADLP Nc1cc(NCCCCNc2cccc[nH+]2)c(Cl)c[nH+]1 ZINC000892270326 618644005 /nfs/dbraw/zinc/64/40/05/618644005.db2.gz DYPWVKHTUREYKF-UHFFFAOYSA-N 2 2 291.786 3.016 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(O)cc(F)c1 ZINC000924582476 618888241 /nfs/dbraw/zinc/88/82/41/618888241.db2.gz RJBAUDCDVNDJJX-ZDUSSCGKSA-N 2 2 280.387 3.058 20 0 CGADLP Cc1[nH+]ccn1CCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892666882 618893312 /nfs/dbraw/zinc/89/33/12/618893312.db2.gz NYYJHSJNNKZYJR-UHFFFAOYSA-N 2 2 285.395 3.060 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019959840 618973451 /nfs/dbraw/zinc/97/34/51/618973451.db2.gz CYNIWZPTPNLNAV-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019959840 618973452 /nfs/dbraw/zinc/97/34/52/618973452.db2.gz CYNIWZPTPNLNAV-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924618449 618981858 /nfs/dbraw/zinc/98/18/58/618981858.db2.gz ZSLOMHSLVHDPFE-CQSZACIVSA-N 2 2 281.831 3.042 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924618449 618981860 /nfs/dbraw/zinc/98/18/60/618981860.db2.gz ZSLOMHSLVHDPFE-CQSZACIVSA-N 2 2 281.831 3.042 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000925674987 619124282 /nfs/dbraw/zinc/12/42/82/619124282.db2.gz CDPYOSWRVAZNIS-BXUZGUMPSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000194439747 619139864 /nfs/dbraw/zinc/13/98/64/619139864.db2.gz HIYXEVDEJUZVCD-WBVHZDCISA-N 2 2 288.435 3.398 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cscc1Cl ZINC000925773539 619235049 /nfs/dbraw/zinc/23/50/49/619235049.db2.gz ZIYZOFFYOHHFEJ-NWDGAFQWSA-N 2 2 258.818 3.151 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(F)cc3F)C2)CCC1 ZINC000893884534 619327287 /nfs/dbraw/zinc/32/72/87/619327287.db2.gz DQHWILLKDUJAPD-UHFFFAOYSA-N 2 2 294.389 3.285 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924925542 619443047 /nfs/dbraw/zinc/44/30/47/619443047.db2.gz HBVZLIKDIFHEAO-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131507 619551143 /nfs/dbraw/zinc/55/11/43/619551143.db2.gz BYKYDPIVCLGNCZ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131507 619551146 /nfs/dbraw/zinc/55/11/46/619551146.db2.gz BYKYDPIVCLGNCZ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC000880131507 619551148 /nfs/dbraw/zinc/55/11/48/619551148.db2.gz BYKYDPIVCLGNCZ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC000880131507 619551150 /nfs/dbraw/zinc/55/11/50/619551150.db2.gz BYKYDPIVCLGNCZ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595440 619587837 /nfs/dbraw/zinc/58/78/37/619587837.db2.gz YDDDLCVDKVITGI-INIZCTEOSA-N 2 2 298.352 3.291 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595440 619587846 /nfs/dbraw/zinc/58/78/46/619587846.db2.gz YDDDLCVDKVITGI-INIZCTEOSA-N 2 2 298.352 3.291 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595440 619587849 /nfs/dbraw/zinc/58/78/49/619587849.db2.gz YDDDLCVDKVITGI-INIZCTEOSA-N 2 2 298.352 3.291 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595440 619587854 /nfs/dbraw/zinc/58/78/54/619587854.db2.gz YDDDLCVDKVITGI-INIZCTEOSA-N 2 2 298.352 3.291 20 0 CGADLP Cc1coc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000894776543 619629522 /nfs/dbraw/zinc/62/95/22/619629522.db2.gz HMOHCLGLNQRNOO-UHFFFAOYSA-N 2 2 287.407 3.477 20 0 CGADLP Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895110242 619733409 /nfs/dbraw/zinc/73/34/09/619733409.db2.gz FJQFSKJHNMNPGS-QAQDUYKDSA-N 2 2 296.418 3.062 20 0 CGADLP CC[C@H]1CC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111776 619735512 /nfs/dbraw/zinc/73/55/12/619735512.db2.gz JGALTBVPDWYWOF-YHUYYLMFSA-N 2 2 273.424 3.347 20 0 CGADLP CSC1CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895132784 619746527 /nfs/dbraw/zinc/74/65/27/619746527.db2.gz ZQLBQAWQKPBDRP-RBAFREBBSA-N 2 2 291.464 3.052 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)sc1C ZINC000895508092 619838812 /nfs/dbraw/zinc/83/88/12/619838812.db2.gz DZNFMISGKJRBNA-DOMZBBRYSA-N 2 2 295.496 3.312 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)sc1C ZINC000895508092 619838813 /nfs/dbraw/zinc/83/88/13/619838813.db2.gz DZNFMISGKJRBNA-DOMZBBRYSA-N 2 2 295.496 3.312 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705760 619873111 /nfs/dbraw/zinc/87/31/11/619873111.db2.gz FRYWGRHRVKOBFN-BMFZPTHFSA-N 2 2 287.432 3.108 20 0 CGADLP CC(C)OC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000895707588 619873450 /nfs/dbraw/zinc/87/34/50/619873450.db2.gz UEBKTOORTFAHAE-DAWZGUTISA-N 2 2 299.418 3.170 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000896716389 620051023 /nfs/dbraw/zinc/05/10/23/620051023.db2.gz IFACYLKJGOAXEU-IBGZPJMESA-N 2 2 297.446 3.215 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667190 620559099 /nfs/dbraw/zinc/55/90/99/620559099.db2.gz JUMADTLMIMCHQL-BDXSIMOUSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000924667190 620559102 /nfs/dbraw/zinc/55/91/02/620559102.db2.gz JUMADTLMIMCHQL-BDXSIMOUSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccns1 ZINC000924728474 620580095 /nfs/dbraw/zinc/58/00/95/620580095.db2.gz GIGFVDIXZPPNDW-AAEUAGOBSA-N 2 2 278.425 3.105 20 0 CGADLP CNc1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000902180436 621177267 /nfs/dbraw/zinc/17/72/67/621177267.db2.gz DZGBOUIEDJGLSZ-UHFFFAOYSA-N 2 2 284.407 3.105 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1c(F)cccc1F ZINC000902318772 621241366 /nfs/dbraw/zinc/24/13/66/621241366.db2.gz IZDKUNKCAVQVSK-RYUDHWBXSA-N 2 2 282.378 3.394 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000902435856 621317751 /nfs/dbraw/zinc/31/77/51/621317751.db2.gz WCIMLQGTLFFNSE-BASLNEPJSA-N 2 2 276.399 3.119 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc2)cc1 ZINC000902413073 621322472 /nfs/dbraw/zinc/32/24/72/621322472.db2.gz HVKTVJNXWPEAOH-KRWDZBQOSA-N 2 2 266.388 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(F)c1 ZINC000902446927 621328305 /nfs/dbraw/zinc/32/83/05/621328305.db2.gz WEKNCBJRXWVGCF-YMRXKLBXSA-N 2 2 270.351 3.101 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(F)c1 ZINC000902446925 621328575 /nfs/dbraw/zinc/32/85/75/621328575.db2.gz WEKNCBJRXWVGCF-SSKCKEOISA-N 2 2 270.351 3.101 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(-c2ccncc2)c1 ZINC000902449204 621329397 /nfs/dbraw/zinc/32/93/97/621329397.db2.gz MPCHJZCRSUQZFX-KSSFIOAISA-N 2 2 295.430 3.397 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902483550 621352479 /nfs/dbraw/zinc/35/24/79/621352479.db2.gz RKFUWFOEBVQJJY-HOTGVXAUSA-N 2 2 261.413 3.045 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000902483273 621352588 /nfs/dbraw/zinc/35/25/88/621352588.db2.gz QLQOJOBHLJTGPO-NVXWUHKLSA-N 2 2 298.434 3.055 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000902484240 621352843 /nfs/dbraw/zinc/35/28/43/621352843.db2.gz VBTCKTCGMQOBSE-OLZOCXBDSA-N 2 2 293.480 3.205 20 0 CGADLP CCNc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000902625960 621388658 /nfs/dbraw/zinc/38/86/58/621388658.db2.gz LINXHNBAWSQDGH-KRWDZBQOSA-N 2 2 287.451 3.225 20 0 CGADLP CCNc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000902625960 621388661 /nfs/dbraw/zinc/38/86/61/621388661.db2.gz LINXHNBAWSQDGH-KRWDZBQOSA-N 2 2 287.451 3.225 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902837011 621469317 /nfs/dbraw/zinc/46/93/17/621469317.db2.gz RWTKTPXCKOOFDB-INMHGKMJSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902988767 621513366 /nfs/dbraw/zinc/51/33/66/621513366.db2.gz WZJGCCBRNBSWAZ-VYDXJSESSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903040655 621540471 /nfs/dbraw/zinc/54/04/71/621540471.db2.gz DBPMAMAXBCNXQY-HUUCEWRRSA-N 2 2 299.418 3.338 20 0 CGADLP CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000903096187 621585789 /nfs/dbraw/zinc/58/57/89/621585789.db2.gz ANINBXZMWJEULP-HYVNUMGLSA-N 2 2 290.451 3.273 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000903096185 621586259 /nfs/dbraw/zinc/58/62/59/621586259.db2.gz ANINBXZMWJEULP-DJIMGWMZSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H]1C ZINC000903222129 621634552 /nfs/dbraw/zinc/63/45/52/621634552.db2.gz WGKBPQNDKQXDLT-OQMKEHIESA-N 2 2 295.496 3.365 20 0 CGADLP CCCCC1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000903312630 621684331 /nfs/dbraw/zinc/68/43/31/621684331.db2.gz XKCVYQCAOBKVKB-UHFFFAOYSA-N 2 2 273.424 3.363 20 0 CGADLP FC(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903485071 621765771 /nfs/dbraw/zinc/76/57/71/621765771.db2.gz ZTKOOKWZWNPVDY-AWEZNQCLSA-N 2 2 280.362 3.389 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798810 621811379 /nfs/dbraw/zinc/81/13/79/621811379.db2.gz ARFGCUKHYMOMJP-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798810 621811381 /nfs/dbraw/zinc/81/13/81/621811381.db2.gz ARFGCUKHYMOMJP-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903899410 621830077 /nfs/dbraw/zinc/83/00/77/621830077.db2.gz UOGPVMAOWLGRNJ-BPLDGKMQSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903899410 621830080 /nfs/dbraw/zinc/83/00/80/621830080.db2.gz UOGPVMAOWLGRNJ-BPLDGKMQSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000903904036 621831172 /nfs/dbraw/zinc/83/11/72/621831172.db2.gz ZNEUQPWGFCOBKY-ZFWWWQNUSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000903904036 621831173 /nfs/dbraw/zinc/83/11/73/621831173.db2.gz ZNEUQPWGFCOBKY-ZFWWWQNUSA-N 2 2 282.378 3.075 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903908335 621832044 /nfs/dbraw/zinc/83/20/44/621832044.db2.gz HBDFAKQPWIURMJ-LNSITVRQSA-N 2 2 298.377 3.061 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903908335 621832047 /nfs/dbraw/zinc/83/20/47/621832047.db2.gz HBDFAKQPWIURMJ-LNSITVRQSA-N 2 2 298.377 3.061 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903908337 621832212 /nfs/dbraw/zinc/83/22/12/621832212.db2.gz HBDFAKQPWIURMJ-ZLDLUXBVSA-N 2 2 298.377 3.061 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903908337 621832213 /nfs/dbraw/zinc/83/22/13/621832213.db2.gz HBDFAKQPWIURMJ-ZLDLUXBVSA-N 2 2 298.377 3.061 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccc(F)cc1F ZINC000903922847 621833270 /nfs/dbraw/zinc/83/32/70/621833270.db2.gz GFANSTARCDJNPW-ZWNOBZJWSA-N 2 2 292.320 3.378 20 0 CGADLP CN(C)c1cc(-c2cccc([C@H]3CCC[NH2+]3)c2)cc[nH+]1 ZINC000904850827 622008945 /nfs/dbraw/zinc/00/89/45/622008945.db2.gz ZRVDXBBWKGJCNR-MRXNPFEDSA-N 2 2 267.376 3.239 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000906537753 622246865 /nfs/dbraw/zinc/24/68/65/622246865.db2.gz KCZPSNBYSXTLSG-QGZVFWFLSA-N 2 2 273.424 3.183 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000906537753 622246866 /nfs/dbraw/zinc/24/68/66/622246866.db2.gz KCZPSNBYSXTLSG-QGZVFWFLSA-N 2 2 273.424 3.183 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590020 622251116 /nfs/dbraw/zinc/25/11/16/622251116.db2.gz MMZCTTONATUJEI-HZPDHXFCSA-N 2 2 276.399 3.098 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000224599487 622880775 /nfs/dbraw/zinc/88/07/75/622880775.db2.gz WHCOAMUXENEYJX-ZIAGYGMSSA-N 2 2 251.418 3.466 20 0 CGADLP CC(C)(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000061839494 623182202 /nfs/dbraw/zinc/18/22/02/623182202.db2.gz QZOUJFNGWYRVCN-ZDUSSCGKSA-N 2 2 251.418 3.324 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000062254686 623211507 /nfs/dbraw/zinc/21/15/07/623211507.db2.gz DZULKTGFURQBNW-CQSZACIVSA-N 2 2 271.408 3.234 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925478267 624452069 /nfs/dbraw/zinc/45/20/69/624452069.db2.gz ICDIQZCVIHRTCC-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)s1 ZINC000071321359 625076569 /nfs/dbraw/zinc/07/65/69/625076569.db2.gz FCAKAVWWFQZCGL-FGWVZKOKSA-N 2 2 270.829 3.246 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)s1 ZINC000071321359 625076574 /nfs/dbraw/zinc/07/65/74/625076574.db2.gz FCAKAVWWFQZCGL-FGWVZKOKSA-N 2 2 270.829 3.246 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000922842739 626056057 /nfs/dbraw/zinc/05/60/57/626056057.db2.gz MCPASQSRXJNURX-ZFWWWQNUSA-N 2 2 287.432 3.246 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000838845858 626266907 /nfs/dbraw/zinc/26/69/07/626266907.db2.gz LKEAVVCBTDBREP-MRXNPFEDSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000838845858 626266912 /nfs/dbraw/zinc/26/69/12/626266912.db2.gz LKEAVVCBTDBREP-MRXNPFEDSA-N 2 2 291.345 3.078 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000764885789 627231560 /nfs/dbraw/zinc/23/15/60/627231560.db2.gz ODGHPZYMLRMACT-SFHVURJKSA-N 2 2 295.430 3.347 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000764966313 627234431 /nfs/dbraw/zinc/23/44/31/627234431.db2.gz OGIDRLKKCKUCEA-FPMFFAJLSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000764966313 627234433 /nfs/dbraw/zinc/23/44/33/627234433.db2.gz OGIDRLKKCKUCEA-FPMFFAJLSA-N 2 2 279.815 3.012 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000766267649 627307621 /nfs/dbraw/zinc/30/76/21/627307621.db2.gz HAHMYPDBCXZWLZ-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000766267649 627307626 /nfs/dbraw/zinc/30/76/26/627307626.db2.gz HAHMYPDBCXZWLZ-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000766275638 627310872 /nfs/dbraw/zinc/31/08/72/627310872.db2.gz YAMLEOQSARUBHS-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000766275638 627310874 /nfs/dbraw/zinc/31/08/74/627310874.db2.gz YAMLEOQSARUBHS-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cnc1Cl ZINC000769482511 627559525 /nfs/dbraw/zinc/55/95/25/627559525.db2.gz FAMFQNKCVVACTD-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cnc1Cl ZINC000769482511 627559526 /nfs/dbraw/zinc/55/95/26/627559526.db2.gz FAMFQNKCVVACTD-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cnc1Cl ZINC000769482511 627559528 /nfs/dbraw/zinc/55/95/28/627559528.db2.gz FAMFQNKCVVACTD-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cnc1Cl ZINC000769482511 627559529 /nfs/dbraw/zinc/55/95/29/627559529.db2.gz FAMFQNKCVVACTD-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C ZINC000774121547 627948231 /nfs/dbraw/zinc/94/82/31/627948231.db2.gz XTBMGPVJIXNUDE-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000774380740 627984384 /nfs/dbraw/zinc/98/43/84/627984384.db2.gz SFAITLVWIFZNIA-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000774380740 627984389 /nfs/dbraw/zinc/98/43/89/627984389.db2.gz SFAITLVWIFZNIA-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H]([NH2+]CCOC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777121986 628250576 /nfs/dbraw/zinc/25/05/76/628250576.db2.gz QOUNARSJLXCHIR-CQSZACIVSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000788989077 629094607 /nfs/dbraw/zinc/09/46/07/629094607.db2.gz VBHZTVHYCSWSDC-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000788989077 629094609 /nfs/dbraw/zinc/09/46/09/629094609.db2.gz VBHZTVHYCSWSDC-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1F ZINC000863543485 629602548 /nfs/dbraw/zinc/60/25/48/629602548.db2.gz ZTKMECKTKGSQKF-IUODEOHRSA-N 2 2 262.372 3.069 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000863545884 629603930 /nfs/dbraw/zinc/60/39/30/629603930.db2.gz IMKJPLKWQCIYNN-SGMGOOAPSA-N 2 2 296.842 3.448 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccnc(Cl)c1 ZINC000119697143 629691308 /nfs/dbraw/zinc/69/13/08/629691308.db2.gz FQEWEYMWHVPZSY-NSHDSACASA-N 2 2 279.815 3.012 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000796277646 629759809 /nfs/dbraw/zinc/75/98/09/629759809.db2.gz FOBUVGBAJFAYSZ-LLVKDONJSA-N 2 2 295.477 3.425 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000796315747 629762822 /nfs/dbraw/zinc/76/28/22/629762822.db2.gz MEIPQUFGXZAYOF-LWJUFGILSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000796315747 629762825 /nfs/dbraw/zinc/76/28/25/629762825.db2.gz MEIPQUFGXZAYOF-LWJUFGILSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000799714838 630223223 /nfs/dbraw/zinc/22/32/23/630223223.db2.gz GVASOSFDJKBTGS-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000800979835 630317243 /nfs/dbraw/zinc/31/72/43/630317243.db2.gz AOXCLZFQXYJROE-RBUKOAKNSA-N 2 2 299.462 3.429 20 0 CGADLP CC(C)(C)SCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000801936397 630370242 /nfs/dbraw/zinc/37/02/42/630370242.db2.gz SWOOSPORFYAOSX-UHFFFAOYSA-N 2 2 293.480 3.490 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766063 630802241 /nfs/dbraw/zinc/80/22/41/630802241.db2.gz TZAFPKIONCQSKH-RDTXWAMCSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766063 630802244 /nfs/dbraw/zinc/80/22/44/630802244.db2.gz TZAFPKIONCQSKH-RDTXWAMCSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2ccccc2c1 ZINC000809766063 630802247 /nfs/dbraw/zinc/80/22/47/630802247.db2.gz TZAFPKIONCQSKH-RDTXWAMCSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000809766063 630802249 /nfs/dbraw/zinc/80/22/49/630802249.db2.gz TZAFPKIONCQSKH-RDTXWAMCSA-N 2 2 283.419 3.007 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC1Cc2ccccc2C1 ZINC000811475053 631070809 /nfs/dbraw/zinc/07/08/09/631070809.db2.gz HSFRPCVNVUJZFS-SFHVURJKSA-N 2 2 297.446 3.302 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1C ZINC000817950782 632246493 /nfs/dbraw/zinc/24/64/93/632246493.db2.gz YTWILAAUUAMFML-LSDHHAIUSA-N 2 2 276.424 3.105 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000817954982 632250577 /nfs/dbraw/zinc/25/05/77/632250577.db2.gz NWFMYASUNYCPKZ-KDOFPFPSSA-N 2 2 284.403 3.436 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000817981745 632271734 /nfs/dbraw/zinc/27/17/34/632271734.db2.gz NJRNXYXBVSUBMZ-KSSFIOAISA-N 2 2 298.434 3.040 20 0 CGADLP CC/C=C\C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824701848 633276863 /nfs/dbraw/zinc/27/68/63/633276863.db2.gz CTIFIFUPHNHBRB-WAYWQWQTSA-N 2 2 287.451 3.277 20 0 CGADLP C[C@]1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321933 633605683 /nfs/dbraw/zinc/60/56/83/633605683.db2.gz JMKGVNKJNDLCGT-CMPLNLGQSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@]1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321933 633605686 /nfs/dbraw/zinc/60/56/86/633605686.db2.gz JMKGVNKJNDLCGT-CMPLNLGQSA-N 2 2 288.222 3.173 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872018092 633937956 /nfs/dbraw/zinc/93/79/56/633937956.db2.gz IGRPZFRYYSHSGN-LBPRGKRZSA-N 2 2 280.387 3.056 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc3C1)CC2 ZINC000872062692 633985628 /nfs/dbraw/zinc/98/56/28/633985628.db2.gz JHKPWYXCAQGAGB-MSOLQXFVSA-N 2 2 295.430 3.125 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872068027 633989894 /nfs/dbraw/zinc/98/98/94/633989894.db2.gz USOQDSQSIQGFDB-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872068027 633989900 /nfs/dbraw/zinc/98/99/00/633989900.db2.gz USOQDSQSIQGFDB-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)OC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000873166514 634267924 /nfs/dbraw/zinc/26/79/24/634267924.db2.gz DWYAPFYHQCXVAM-UHFFFAOYSA-N 2 2 299.418 3.310 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCSCC1 ZINC000876957117 634937513 /nfs/dbraw/zinc/93/75/13/634937513.db2.gz URRDIDSUNCUFOT-CQSZACIVSA-N 2 2 281.469 3.031 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581795 635816299 /nfs/dbraw/zinc/81/62/99/635816299.db2.gz OHMIXHNQAQQGEK-HUUCEWRRSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581795 635816303 /nfs/dbraw/zinc/81/63/03/635816303.db2.gz OHMIXHNQAQQGEK-HUUCEWRRSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581795 635816310 /nfs/dbraw/zinc/81/63/10/635816310.db2.gz OHMIXHNQAQQGEK-HUUCEWRRSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581795 635816313 /nfs/dbraw/zinc/81/63/13/635816313.db2.gz OHMIXHNQAQQGEK-HUUCEWRRSA-N 2 2 280.362 3.150 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCC1 ZINC000880206914 635937763 /nfs/dbraw/zinc/93/77/63/635937763.db2.gz MOBGIESDHNFLFD-SFHVURJKSA-N 2 2 292.467 3.110 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCC1 ZINC000880206914 635937769 /nfs/dbraw/zinc/93/77/69/635937769.db2.gz MOBGIESDHNFLFD-SFHVURJKSA-N 2 2 292.467 3.110 20 0 CGADLP C[C@H]1c2sccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000880376457 635987494 /nfs/dbraw/zinc/98/74/94/635987494.db2.gz GZNCSAGFNIMIDR-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP C[C@H]1c2sccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000880376457 635987498 /nfs/dbraw/zinc/98/74/98/635987498.db2.gz GZNCSAGFNIMIDR-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP CSc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473743 636007023 /nfs/dbraw/zinc/00/70/23/636007023.db2.gz MPLAQNSQWXUOPH-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP COCCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569180 636022424 /nfs/dbraw/zinc/02/24/24/636022424.db2.gz JFJGEKZUAXLMCR-QGZVFWFLSA-N 2 2 287.407 3.031 20 0 CGADLP C[C@@H]1C[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000880569997 636022446 /nfs/dbraw/zinc/02/24/46/636022446.db2.gz RPQIUPQARPQXSN-JFIYKMOQSA-N 2 2 299.418 3.029 20 0 CGADLP CSc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000882910626 636459002 /nfs/dbraw/zinc/45/90/02/636459002.db2.gz XEHOFKCJQQKFTD-ZDUSSCGKSA-N 2 2 293.436 3.403 20 0 CGADLP CC1([NH+]2CCC2)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000882962489 636480945 /nfs/dbraw/zinc/48/09/45/636480945.db2.gz USONKBXJOFSFTQ-UHFFFAOYSA-N 2 2 281.403 3.299 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000848532088 636592571 /nfs/dbraw/zinc/59/25/71/636592571.db2.gz YKCCMCBVDQDOEL-HNNXBMFYSA-N 2 2 271.408 3.432 20 0 CGADLP c1ccc2ncc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000848575461 636613529 /nfs/dbraw/zinc/61/35/29/636613529.db2.gz QXRJUDAZALXACQ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000848575461 636613537 /nfs/dbraw/zinc/61/35/37/636613537.db2.gz QXRJUDAZALXACQ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[NH2+]C1CCCC1 ZINC000883346098 636690083 /nfs/dbraw/zinc/69/00/83/636690083.db2.gz RRQGSADIDCCYMR-SFHVURJKSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[NH2+]C1CCCC1 ZINC000883346098 636690090 /nfs/dbraw/zinc/69/00/90/636690090.db2.gz RRQGSADIDCCYMR-SFHVURJKSA-N 2 2 285.435 3.326 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388109 636730359 /nfs/dbraw/zinc/73/03/59/636730359.db2.gz MGJHWNIGAJGKCN-RCCFBDPRSA-N 2 2 299.418 3.172 20 0 CGADLP CC1(C)CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388220 636730937 /nfs/dbraw/zinc/73/09/37/636730937.db2.gz POHWJMMUUOVZRI-INIZCTEOSA-N 2 2 269.392 3.403 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416392 636749017 /nfs/dbraw/zinc/74/90/17/636749017.db2.gz TZSRZNZWSNVLCB-BZSNNMDCSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416392 636749019 /nfs/dbraw/zinc/74/90/19/636749019.db2.gz TZSRZNZWSNVLCB-BZSNNMDCSA-N 2 2 288.435 3.110 20 0 CGADLP CCOC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000850424137 637056144 /nfs/dbraw/zinc/05/61/44/637056144.db2.gz DHBXPVMTDDTORN-GPANFISMSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000300411692 637837042 /nfs/dbraw/zinc/83/70/42/637837042.db2.gz PEBJIZPNDWTARF-LVQVYYBASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000300411692 637837047 /nfs/dbraw/zinc/83/70/47/637837047.db2.gz PEBJIZPNDWTARF-LVQVYYBASA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C[NH2+][C@@H](C1CC1)C1CCOCC1)[NH+]1CCCCC1 ZINC000924539544 638355377 /nfs/dbraw/zinc/35/53/77/638355377.db2.gz FMTBVXNEHZQWBC-KRWDZBQOSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CCCO)[NH+]1CCCCC1 ZINC000924543442 638358429 /nfs/dbraw/zinc/35/84/29/638358429.db2.gz YLVUYDNPYKQFLR-SJORKVTESA-N 2 2 296.499 3.172 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000925303162 638493967 /nfs/dbraw/zinc/49/39/67/638493967.db2.gz MFYUYUSHPZOFKX-GFCCVEGCSA-N 2 2 280.387 3.055 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)co2)cc1 ZINC000925527394 638520096 /nfs/dbraw/zinc/52/00/96/638520096.db2.gz NNYSBIOKTDKPCS-CVEARBPZSA-N 2 2 297.402 3.010 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925545206 638524902 /nfs/dbraw/zinc/52/49/02/638524902.db2.gz DWLSEILCMINVMG-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCC2)c1 ZINC000925553268 638527480 /nfs/dbraw/zinc/52/74/80/638527480.db2.gz QBFOUNCXADNSOF-YJBOKZPZSA-N 2 2 299.462 3.222 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000925681823 638567057 /nfs/dbraw/zinc/56/70/57/638567057.db2.gz XYDYFRYOUIBXSE-AEGPPILISA-N 2 2 282.378 3.490 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925685890 638568299 /nfs/dbraw/zinc/56/82/99/638568299.db2.gz PPUYCZKNAACSSU-JCGIZDLHSA-N 2 2 287.451 3.312 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925685890 638568305 /nfs/dbraw/zinc/56/83/05/638568305.db2.gz PPUYCZKNAACSSU-JCGIZDLHSA-N 2 2 287.451 3.312 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000925712590 638576450 /nfs/dbraw/zinc/57/64/50/638576450.db2.gz IBMYLFSDBIQPSK-ACJLOTCBSA-N 2 2 295.386 3.048 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc2ccccc2s1 ZINC000925782293 638611731 /nfs/dbraw/zinc/61/17/31/638611731.db2.gz FDNWPBCFGSQJKM-NTZNESFSSA-N 2 2 260.406 3.160 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c2ccccc12 ZINC000925786383 638614581 /nfs/dbraw/zinc/61/45/81/638614581.db2.gz OGCKYSXUBFVHGM-IIYDPXPESA-N 2 2 284.403 3.107 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C(C)(C)O1 ZINC000927099391 638841891 /nfs/dbraw/zinc/84/18/91/638841891.db2.gz NGCYFMFZNPWEBZ-PMPSAXMXSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C(C)(C)O1 ZINC000927099391 638841892 /nfs/dbraw/zinc/84/18/92/638841892.db2.gz NGCYFMFZNPWEBZ-PMPSAXMXSA-N 2 2 294.483 3.187 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991285 638966755 /nfs/dbraw/zinc/96/67/55/638966755.db2.gz FIHLTRRTCVYNMC-HUUCEWRRSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991285 638966756 /nfs/dbraw/zinc/96/67/56/638966756.db2.gz FIHLTRRTCVYNMC-HUUCEWRRSA-N 2 2 289.423 3.081 20 0 CGADLP CCc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)nc(C)[nH+]1 ZINC001155349197 805575738 /nfs/dbraw/zinc/57/57/38/805575738.db2.gz QPNUDHGSVCVMNA-NSHDSACASA-N 2 2 280.375 3.311 20 0 CGADLP COc1cc(C)c[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156048556 805646518 /nfs/dbraw/zinc/64/65/18/805646518.db2.gz UTPNDXCMTMAOJL-UHFFFAOYSA-N 2 2 285.391 3.072 20 0 CGADLP Cc1c(F)cc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156048797 805646836 /nfs/dbraw/zinc/64/68/36/805646836.db2.gz VRZTUDCADRDMDG-UHFFFAOYSA-N 2 2 273.355 3.203 20 0 CGADLP Cc1cccc2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c12 ZINC001156980603 805763445 /nfs/dbraw/zinc/76/34/45/805763445.db2.gz KLJSCQSGVXPHBQ-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP CC1(Nc2cc(-c3ccccc3)cc[nH+]2)CC[NH2+]CC1 ZINC001157396645 805807778 /nfs/dbraw/zinc/80/77/78/805807778.db2.gz BXWSTVWPZZJCQJ-UHFFFAOYSA-N 2 2 267.376 3.303 20 0 CGADLP CCC[N@H+]1C[C@H]2CN(c3cc(C)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692029 805853229 /nfs/dbraw/zinc/85/32/29/805853229.db2.gz SXCXWYSTJFXZQK-IYBDPMFKSA-N 2 2 295.430 3.321 20 0 CGADLP CCC[N@@H+]1C[C@H]2CN(c3cc(C)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692029 805853236 /nfs/dbraw/zinc/85/32/36/805853236.db2.gz SXCXWYSTJFXZQK-IYBDPMFKSA-N 2 2 295.430 3.321 20 0 CGADLP CSc1c[nH+]c(NCC(C)(C)C[NH+](C)C)c(C)c1 ZINC001157944361 805906264 /nfs/dbraw/zinc/90/62/64/805906264.db2.gz LCNIUNHNEDDXJY-UHFFFAOYSA-N 2 2 267.442 3.112 20 0 CGADLP Cc1[nH+]c(NCCc2cn3ccccc3[nH+]2)cc2[nH]ccc21 ZINC001158145774 805924032 /nfs/dbraw/zinc/92/40/32/805924032.db2.gz VLWJGXAZIKIAOH-UHFFFAOYSA-N 2 2 291.358 3.174 20 0 CGADLP COCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158265417 805932699 /nfs/dbraw/zinc/93/26/99/805932699.db2.gz HBGIVHSPDUUPDD-YOEHRIQHSA-N 2 2 291.439 3.184 20 0 CGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159031469 806035257 /nfs/dbraw/zinc/03/52/57/806035257.db2.gz JLPZGLFYBKOYCB-UHFFFAOYSA-N 2 2 297.377 3.128 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001159580252 806125038 /nfs/dbraw/zinc/12/50/38/806125038.db2.gz MBFBRJPAXUXWHU-UHFFFAOYSA-N 2 2 271.364 3.070 20 0 CGADLP Cc1nc(-n2c(CC[NH3+])cc3ccccc32)cc(C(C)C)[nH+]1 ZINC001160125206 806226144 /nfs/dbraw/zinc/22/61/44/806226144.db2.gz YERIZBMWQQCSAL-UHFFFAOYSA-N 2 2 294.402 3.354 20 0 CGADLP Cc1c[nH+]c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c(N)c1 ZINC001160686633 806296743 /nfs/dbraw/zinc/29/67/43/806296743.db2.gz LFFZTBJARIATJL-LBPRGKRZSA-N 2 2 281.363 3.101 20 0 CGADLP Cc1ccc(NCc2c[nH+]cn2CC2CCC2)[nH+]c1C ZINC001161531010 806388361 /nfs/dbraw/zinc/38/83/61/806388361.db2.gz DDSRJIFZIQKJMW-UHFFFAOYSA-N 2 2 270.380 3.307 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001254482629 806413038 /nfs/dbraw/zinc/41/30/38/806413038.db2.gz LJFHYWFOSAXEPG-WBVHZDCISA-N 2 2 262.441 3.328 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001254499777 806421041 /nfs/dbraw/zinc/42/10/41/806421041.db2.gz ACGPHDSSFXMSGT-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001254499777 806421042 /nfs/dbraw/zinc/42/10/42/806421042.db2.gz ACGPHDSSFXMSGT-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529486 806443302 /nfs/dbraw/zinc/44/33/02/806443302.db2.gz MKPJHJLMRHMHBQ-HNNXBMFYSA-N 2 2 264.800 3.140 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529486 806443307 /nfs/dbraw/zinc/44/33/07/806443307.db2.gz MKPJHJLMRHMHBQ-HNNXBMFYSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529486 806443313 /nfs/dbraw/zinc/44/33/13/806443313.db2.gz MKPJHJLMRHMHBQ-HNNXBMFYSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529486 806443314 /nfs/dbraw/zinc/44/33/14/806443314.db2.gz MKPJHJLMRHMHBQ-HNNXBMFYSA-N 2 2 264.800 3.140 20 0 CGADLP C([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCCCC1 ZINC001254841863 806495807 /nfs/dbraw/zinc/49/58/07/806495807.db2.gz BIVPGVMVFNNRKX-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830998 806491693 /nfs/dbraw/zinc/49/16/93/806491693.db2.gz IYCGLQAJAKUQHB-QAPCUYQASA-N 2 2 272.436 3.082 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851045 806499245 /nfs/dbraw/zinc/49/92/45/806499245.db2.gz KVIPRVMFSHUAAG-IXDOHACOSA-N 2 2 290.838 3.270 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001255696674 806709305 /nfs/dbraw/zinc/70/93/05/806709305.db2.gz GWSSKJQVZJXDQQ-UPJWGTAASA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001255696674 806709310 /nfs/dbraw/zinc/70/93/10/806709310.db2.gz GWSSKJQVZJXDQQ-UPJWGTAASA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001255705099 806712382 /nfs/dbraw/zinc/71/23/82/806712382.db2.gz CXLOKMWIWBWCSV-RYUDHWBXSA-N 2 2 288.313 3.171 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001255750409 806734006 /nfs/dbraw/zinc/73/40/06/806734006.db2.gz OWGUORNOOJNELD-KBPBESRZSA-N 2 2 266.454 3.015 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001255750411 806734214 /nfs/dbraw/zinc/73/42/14/806734214.db2.gz OWGUORNOOJNELD-UONOGXRCSA-N 2 2 266.454 3.015 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000381531082 799381178 /nfs/dbraw/zinc/38/11/78/799381178.db2.gz AQEYMPZCVGWIAH-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000381531082 799381184 /nfs/dbraw/zinc/38/11/84/799381184.db2.gz AQEYMPZCVGWIAH-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP C([C@@H]1CC[NH2+]1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000384810166 799418809 /nfs/dbraw/zinc/41/88/09/799418809.db2.gz FCUOYGDINPWADD-AWEZNQCLSA-N 2 2 250.430 3.316 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000388765063 799455557 /nfs/dbraw/zinc/45/55/57/799455557.db2.gz GVAPSQJFADMEKF-YJNKXOJESA-N 2 2 261.413 3.076 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000394259081 799495920 /nfs/dbraw/zinc/49/59/20/799495920.db2.gz KKORIMTZVRMLQI-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000394259081 799495921 /nfs/dbraw/zinc/49/59/21/799495921.db2.gz KKORIMTZVRMLQI-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000394259075 799496314 /nfs/dbraw/zinc/49/63/14/799496314.db2.gz KKORIMTZVRMLQI-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000394259075 799496319 /nfs/dbraw/zinc/49/63/19/799496319.db2.gz KKORIMTZVRMLQI-AGIUHOORSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693905048 799817609 /nfs/dbraw/zinc/81/76/09/799817609.db2.gz AQLRETNWSPRSBV-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693905048 799817621 /nfs/dbraw/zinc/81/76/21/799817621.db2.gz AQLRETNWSPRSBV-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc2ccccc2s1 ZINC000693931888 799818065 /nfs/dbraw/zinc/81/80/65/799818065.db2.gz QXJOGSRZLUDDRR-CHWSQXEVSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc2ccccc2s1 ZINC000693931888 799818068 /nfs/dbraw/zinc/81/80/68/799818068.db2.gz QXJOGSRZLUDDRR-CHWSQXEVSA-N 2 2 289.448 3.431 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC001255962611 806799787 /nfs/dbraw/zinc/79/97/87/806799787.db2.gz XIHQPZMGXFSLTR-CQSZACIVSA-N 2 2 266.404 3.378 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC001255962611 806799790 /nfs/dbraw/zinc/79/97/90/806799790.db2.gz XIHQPZMGXFSLTR-CQSZACIVSA-N 2 2 266.404 3.378 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001255959356 806799894 /nfs/dbraw/zinc/79/98/94/806799894.db2.gz KZWAGNHTIMUUKC-MCIONIFRSA-N 2 2 274.399 3.084 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001255959356 806799898 /nfs/dbraw/zinc/79/98/98/806799898.db2.gz KZWAGNHTIMUUKC-MCIONIFRSA-N 2 2 274.399 3.084 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001255966566 806802475 /nfs/dbraw/zinc/80/24/75/806802475.db2.gz LSSPVDRIPDHERO-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC001255966566 806802479 /nfs/dbraw/zinc/80/24/79/806802479.db2.gz LSSPVDRIPDHERO-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCC(=O)c1cccs1 ZINC001255966687 806803350 /nfs/dbraw/zinc/80/33/50/806803350.db2.gz MEUSLMLPJATSQC-CQSZACIVSA-N 2 2 296.480 3.373 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCC(=O)c1cccs1 ZINC001255966687 806803359 /nfs/dbraw/zinc/80/33/59/806803359.db2.gz MEUSLMLPJATSQC-CQSZACIVSA-N 2 2 296.480 3.373 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001256080433 806814220 /nfs/dbraw/zinc/81/42/20/806814220.db2.gz VIOGYMMYIZOXSW-WMLDXEAASA-N 2 2 262.441 3.268 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001256080433 806814229 /nfs/dbraw/zinc/81/42/29/806814229.db2.gz VIOGYMMYIZOXSW-WMLDXEAASA-N 2 2 262.441 3.268 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720834364 800268142 /nfs/dbraw/zinc/26/81/42/800268142.db2.gz JDQWKCHNGSFXCX-GWCFXTLKSA-N 2 2 284.350 3.018 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720834364 800268146 /nfs/dbraw/zinc/26/81/46/800268146.db2.gz JDQWKCHNGSFXCX-GWCFXTLKSA-N 2 2 284.350 3.018 20 0 CGADLP CCC1CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC000721532697 800292003 /nfs/dbraw/zinc/29/20/03/800292003.db2.gz DATXBTXVTOFDAQ-UYJHFMRCSA-N 2 2 272.436 3.341 20 0 CGADLP CCC1CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC000721532697 800292005 /nfs/dbraw/zinc/29/20/05/800292005.db2.gz DATXBTXVTOFDAQ-UYJHFMRCSA-N 2 2 272.436 3.341 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105869 806821105 /nfs/dbraw/zinc/82/11/05/806821105.db2.gz ARIRYENFDWLRES-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105869 806821112 /nfs/dbraw/zinc/82/11/12/806821112.db2.gz ARIRYENFDWLRES-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Br ZINC000821991370 800458646 /nfs/dbraw/zinc/45/86/46/800458646.db2.gz UFRJYRYXIGRYNH-SRVKXCTJSA-N 2 2 297.240 3.240 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)c1 ZINC001256202356 806848949 /nfs/dbraw/zinc/84/89/49/806848949.db2.gz WJJQSHKANWAXMD-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)c1 ZINC001256202356 806848959 /nfs/dbraw/zinc/84/89/59/806848959.db2.gz WJJQSHKANWAXMD-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP C[C@H](Cc1ccccn1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001256405482 806885022 /nfs/dbraw/zinc/88/50/22/806885022.db2.gz BLGSBKCZXBBLCJ-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544628 806912806 /nfs/dbraw/zinc/91/28/06/806912806.db2.gz ZTSDCBVZKLJSMU-BURFUSLBSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544628 806912811 /nfs/dbraw/zinc/91/28/11/806912811.db2.gz ZTSDCBVZKLJSMU-BURFUSLBSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544628 806912816 /nfs/dbraw/zinc/91/28/16/806912816.db2.gz ZTSDCBVZKLJSMU-BURFUSLBSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544628 806912822 /nfs/dbraw/zinc/91/28/22/806912822.db2.gz ZTSDCBVZKLJSMU-BURFUSLBSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548930 806914119 /nfs/dbraw/zinc/91/41/19/806914119.db2.gz CSGNZZYFLQSMTC-UAGQMJEPSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548930 806914125 /nfs/dbraw/zinc/91/41/25/806914125.db2.gz CSGNZZYFLQSMTC-UAGQMJEPSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256548930 806914128 /nfs/dbraw/zinc/91/41/28/806914128.db2.gz CSGNZZYFLQSMTC-UAGQMJEPSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256548930 806914134 /nfs/dbraw/zinc/91/41/34/806914134.db2.gz CSGNZZYFLQSMTC-UAGQMJEPSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555625 806914624 /nfs/dbraw/zinc/91/46/24/806914624.db2.gz VELAGOXSMCQISC-SZMVWBNQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555625 806914628 /nfs/dbraw/zinc/91/46/28/806914628.db2.gz VELAGOXSMCQISC-SZMVWBNQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256555625 806914630 /nfs/dbraw/zinc/91/46/30/806914630.db2.gz VELAGOXSMCQISC-SZMVWBNQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256555625 806914636 /nfs/dbraw/zinc/91/46/36/806914636.db2.gz VELAGOXSMCQISC-SZMVWBNQSA-N 2 2 290.426 3.473 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC001256562022 806916633 /nfs/dbraw/zinc/91/66/33/806916633.db2.gz UAGMQPPOMFIHRM-UHFFFAOYSA-N 2 2 281.831 3.088 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CC[C@@H]4CCC[C@H]4C3)CC2)ccn1 ZINC001256589418 806922314 /nfs/dbraw/zinc/92/23/14/806922314.db2.gz YHQGUWLASRHBGC-ROUUACIJSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CC[C@@H]4CCC[C@H]4C3)CC2)ccn1 ZINC001256589418 806922316 /nfs/dbraw/zinc/92/23/16/806922316.db2.gz YHQGUWLASRHBGC-ROUUACIJSA-N 2 2 299.462 3.168 20 0 CGADLP CC[N@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628555 806932455 /nfs/dbraw/zinc/93/24/55/806932455.db2.gz JXGHDHPOSBGRHZ-XYPWUTKMSA-N 2 2 276.399 3.273 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628555 806932457 /nfs/dbraw/zinc/93/24/57/806932457.db2.gz JXGHDHPOSBGRHZ-XYPWUTKMSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628555 806932461 /nfs/dbraw/zinc/93/24/61/806932461.db2.gz JXGHDHPOSBGRHZ-XYPWUTKMSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628555 806932464 /nfs/dbraw/zinc/93/24/64/806932464.db2.gz JXGHDHPOSBGRHZ-XYPWUTKMSA-N 2 2 276.399 3.273 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001118953642 802620803 /nfs/dbraw/zinc/62/08/03/802620803.db2.gz GYNPFPBITNLQCU-SWLSCSKDSA-N 2 2 272.417 3.255 20 0 CGADLP CCc1ccc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c1 ZINC001165455458 807004702 /nfs/dbraw/zinc/00/47/02/807004702.db2.gz WPZWQUXUFJCEDR-UHFFFAOYSA-N 2 2 281.403 3.188 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001205280740 812928442 /nfs/dbraw/zinc/92/84/42/812928442.db2.gz HMVYCTFIQVSWHU-LBPRGKRZSA-N 2 2 276.302 3.002 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001205280740 812928447 /nfs/dbraw/zinc/92/84/47/812928447.db2.gz HMVYCTFIQVSWHU-LBPRGKRZSA-N 2 2 276.302 3.002 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC001137378472 803725964 /nfs/dbraw/zinc/72/59/64/803725964.db2.gz WWOKRFJMJPCIMY-MRXNPFEDSA-N 2 2 299.418 3.361 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC001137378472 803725965 /nfs/dbraw/zinc/72/59/65/803725965.db2.gz WWOKRFJMJPCIMY-MRXNPFEDSA-N 2 2 299.418 3.361 20 0 CGADLP CC[N@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138059607 803842227 /nfs/dbraw/zinc/84/22/27/803842227.db2.gz IROAQBWGXRISDZ-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC[N@@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138059607 803842239 /nfs/dbraw/zinc/84/22/39/803842239.db2.gz IROAQBWGXRISDZ-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CCc1cccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c21 ZINC001138364455 803906742 /nfs/dbraw/zinc/90/67/42/803906742.db2.gz RHIAUQNYDOFCRG-QAPCUYQASA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c21 ZINC001138364455 803906749 /nfs/dbraw/zinc/90/67/49/803906749.db2.gz RHIAUQNYDOFCRG-QAPCUYQASA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c[nH]c21 ZINC001138364455 803906759 /nfs/dbraw/zinc/90/67/59/803906759.db2.gz RHIAUQNYDOFCRG-QAPCUYQASA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c[nH]c21 ZINC001138364455 803906766 /nfs/dbraw/zinc/90/67/66/803906766.db2.gz RHIAUQNYDOFCRG-QAPCUYQASA-N 2 2 297.446 3.256 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC001138543434 803964072 /nfs/dbraw/zinc/96/40/72/803964072.db2.gz OMSATEFQWPFGRV-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC001138543434 803964082 /nfs/dbraw/zinc/96/40/82/803964082.db2.gz OMSATEFQWPFGRV-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246074180 804112683 /nfs/dbraw/zinc/11/26/83/804112683.db2.gz CAHVRSVOYPFIGK-WCBMZHEXSA-N 2 2 291.197 3.363 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246078074 804115592 /nfs/dbraw/zinc/11/55/92/804115592.db2.gz GAOXCBPVIXJGKB-BEFAXECRSA-N 2 2 282.431 3.470 20 0 CGADLP CC[C@@H]1CC([NH2+]Cc2ccc(F)cc2F)C[C@@H](CC)[NH2+]1 ZINC001246094129 804127294 /nfs/dbraw/zinc/12/72/94/804127294.db2.gz HXTKAVMCQKKFIL-ZIAGYGMSSA-N 2 2 282.378 3.364 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246099237 804131406 /nfs/dbraw/zinc/13/14/06/804131406.db2.gz RNCHDYWVTKRJSK-HUUCEWRRSA-N 2 2 282.378 3.365 20 0 CGADLP CCn1ccc2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc21 ZINC001139119818 804132574 /nfs/dbraw/zinc/13/25/74/804132574.db2.gz DZIOSUJXYRWKQB-UHFFFAOYSA-N 2 2 297.446 3.331 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246101041 804133161 /nfs/dbraw/zinc/13/31/61/804133161.db2.gz UVMXBRTZSPGASU-HUUCEWRRSA-N 2 2 268.420 3.169 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246113164 804145349 /nfs/dbraw/zinc/14/53/49/804145349.db2.gz SMBSCTOWGHFKMX-ILXRZTDVSA-N 2 2 268.420 3.169 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144768 804166604 /nfs/dbraw/zinc/16/66/04/804166604.db2.gz UYLKNYOUANKPLC-ONIAQPFYSA-N 2 2 290.451 3.273 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246146349 804168302 /nfs/dbraw/zinc/16/83/02/804168302.db2.gz ZZPMMYJPDQPYCQ-XHSDSOJGSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246169532 804184279 /nfs/dbraw/zinc/18/42/79/804184279.db2.gz JCRCXJRCCMZFJJ-LJQANCHMSA-N 2 2 294.442 3.232 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC)C[C@H](CC)[NH2+]1 ZINC001246185201 804196466 /nfs/dbraw/zinc/19/64/66/804196466.db2.gz AXXWLDPABFXOMH-WDNDVIMCSA-N 2 2 294.414 3.233 20 0 CGADLP CCCC(CCC)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195868 804204333 /nfs/dbraw/zinc/20/43/33/804204333.db2.gz UOJIBBLOHQDABX-CYBMUJFWSA-N 2 2 280.378 3.475 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246257933 804240937 /nfs/dbraw/zinc/24/09/37/804240937.db2.gz ZGTJGUQAVIJQFE-KMUNFCNLSA-N 2 2 264.800 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCC2)C[NH2+]1 ZINC001246274979 804251350 /nfs/dbraw/zinc/25/13/50/804251350.db2.gz OELNYJYONADMOG-CSMYWGQOSA-N 2 2 276.399 3.397 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246283454 804259041 /nfs/dbraw/zinc/25/90/41/804259041.db2.gz BCBGKDDGUCXWNA-CVEARBPZSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246295719 804264559 /nfs/dbraw/zinc/26/45/59/804264559.db2.gz YTELAEMAIBMACY-KCXAZCMYSA-N 2 2 264.388 3.253 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC001246315997 804277316 /nfs/dbraw/zinc/27/73/16/804277316.db2.gz FRVICGQJSXPNHF-ZDUSSCGKSA-N 2 2 260.406 3.133 20 0 CGADLP C[N@H+](Cc1ccccc1C(F)F)C1CC[NH+](C)CC1 ZINC001139795895 804282034 /nfs/dbraw/zinc/28/20/34/804282034.db2.gz KNZBMKIACIOWBC-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP C[N@@H+](Cc1ccccc1C(F)F)C1CC[NH+](C)CC1 ZINC001139795895 804282039 /nfs/dbraw/zinc/28/20/39/804282039.db2.gz KNZBMKIACIOWBC-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CSCC[NH2+]2)CC1 ZINC001246334872 804288926 /nfs/dbraw/zinc/28/89/26/804288926.db2.gz FODRYEPJFIHCKY-YMAMQOFZSA-N 2 2 284.513 3.276 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883174 804311576 /nfs/dbraw/zinc/31/15/76/804311576.db2.gz FWLZHFSSLAUKLJ-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883174 804311603 /nfs/dbraw/zinc/31/16/03/804311603.db2.gz FWLZHFSSLAUKLJ-SJLPKXTDSA-N 2 2 270.420 3.090 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C)cc1C ZINC001246378526 804311862 /nfs/dbraw/zinc/31/18/62/804311862.db2.gz WKRWVHWOSDWPLJ-HLLBOEOZSA-N 2 2 260.425 3.485 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(Cl)ccc32)CC[NH2+]1 ZINC001246418947 804327172 /nfs/dbraw/zinc/32/71/72/804327172.db2.gz TXTQZADWLMNEMC-AEGPPILISA-N 2 2 294.826 3.140 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)CC[NH2+]C)c1c(F)cccc1F ZINC001246469503 804348038 /nfs/dbraw/zinc/34/80/38/804348038.db2.gz QXSINWRGXSODSM-GWCFXTLKSA-N 2 2 256.340 3.004 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140020748 804353144 /nfs/dbraw/zinc/35/31/44/804353144.db2.gz BZQRWSJFCXESGT-IYBDPMFKSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140020748 804353153 /nfs/dbraw/zinc/35/31/53/804353153.db2.gz BZQRWSJFCXESGT-IYBDPMFKSA-N 2 2 281.403 3.413 20 0 CGADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCC2 ZINC001246503593 804364458 /nfs/dbraw/zinc/36/44/58/804364458.db2.gz YRYRSUSVKAEENN-WBMJQRKESA-N 2 2 280.362 3.074 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)Cc2ccc(C)cc2)c1 ZINC001246513012 804367334 /nfs/dbraw/zinc/36/73/34/804367334.db2.gz UPILVAJANZZQBM-HNAYVOBHSA-N 2 2 298.430 3.224 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2C[C@H](C)C[C@@H](C)C2)c1 ZINC001246511757 804367932 /nfs/dbraw/zinc/36/79/32/804367932.db2.gz RJWINZQENGHELN-XNJGSVPQSA-N 2 2 276.424 3.109 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)CCC=C(C)C)c1 ZINC001246509905 804368213 /nfs/dbraw/zinc/36/82/13/804368213.db2.gz KKZPBXQMKVYQCW-RHSMWYFYSA-N 2 2 276.424 3.420 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538120 804387115 /nfs/dbraw/zinc/38/71/15/804387115.db2.gz GLYCEMVYPHDADJ-BBRMVZONSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538120 804387119 /nfs/dbraw/zinc/38/71/19/804387119.db2.gz GLYCEMVYPHDADJ-BBRMVZONSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246545578 804393999 /nfs/dbraw/zinc/39/39/99/804393999.db2.gz KQWLWXPPQSVTFS-YUTCNCBUSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246545578 804394006 /nfs/dbraw/zinc/39/40/06/804394006.db2.gz KQWLWXPPQSVTFS-YUTCNCBUSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001246550559 804400136 /nfs/dbraw/zinc/40/01/36/804400136.db2.gz JPIQZAYNQGHDCV-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[NH2+]CC[C@H]1C ZINC001246550559 804400140 /nfs/dbraw/zinc/40/01/40/804400140.db2.gz JPIQZAYNQGHDCV-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568377 804414903 /nfs/dbraw/zinc/41/49/03/804414903.db2.gz RMFNWYGRIXZBRB-JTNHKYCSSA-N 2 2 284.856 3.100 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568377 804414908 /nfs/dbraw/zinc/41/49/08/804414908.db2.gz RMFNWYGRIXZBRB-JTNHKYCSSA-N 2 2 284.856 3.100 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246572398 804419576 /nfs/dbraw/zinc/41/95/76/804419576.db2.gz WUHJNGNXVQSDEX-JMSVASOKSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246572398 804419579 /nfs/dbraw/zinc/41/95/79/804419579.db2.gz WUHJNGNXVQSDEX-JMSVASOKSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585238 804427269 /nfs/dbraw/zinc/42/72/69/804427269.db2.gz ZLRFZKZSRCRXGZ-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585238 804427271 /nfs/dbraw/zinc/42/72/71/804427271.db2.gz ZLRFZKZSRCRXGZ-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP c1ccc2c(c1)C[N@H+](C1CCCCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616423 804449969 /nfs/dbraw/zinc/44/99/69/804449969.db2.gz CGPCJNJEWIOCMX-ROUUACIJSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)C[N@@H+](C1CCCCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616423 804449972 /nfs/dbraw/zinc/44/99/72/804449972.db2.gz CGPCJNJEWIOCMX-ROUUACIJSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647471 804475908 /nfs/dbraw/zinc/47/59/08/804475908.db2.gz SRVSAKSONPYSLQ-GMXABZIVSA-N 2 2 299.245 3.348 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647471 804475909 /nfs/dbraw/zinc/47/59/09/804475909.db2.gz SRVSAKSONPYSLQ-GMXABZIVSA-N 2 2 299.245 3.348 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140636981 804479238 /nfs/dbraw/zinc/47/92/38/804479238.db2.gz ZOJOHKBSCHITGH-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140636981 804479241 /nfs/dbraw/zinc/47/92/41/804479241.db2.gz ZOJOHKBSCHITGH-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)c1 ZINC001140675951 804487416 /nfs/dbraw/zinc/48/74/16/804487416.db2.gz ZPZSNZHHJRJBRN-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP FC(F)[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807153 804523274 /nfs/dbraw/zinc/52/32/74/804523274.db2.gz OJHINMNMVPLGKI-SNVBAGLBSA-N 2 2 265.307 3.040 20 0 CGADLP FC(F)[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807153 804523278 /nfs/dbraw/zinc/52/32/78/804523278.db2.gz OJHINMNMVPLGKI-SNVBAGLBSA-N 2 2 265.307 3.040 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246802830 804523996 /nfs/dbraw/zinc/52/39/96/804523996.db2.gz XHKWBFLODSMHSK-HOTGVXAUSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246802830 804524000 /nfs/dbraw/zinc/52/40/00/804524000.db2.gz XHKWBFLODSMHSK-HOTGVXAUSA-N 2 2 262.372 3.105 20 0 CGADLP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836489 804545160 /nfs/dbraw/zinc/54/51/60/804545160.db2.gz XWOIOPMRWFWHJG-JEVOJNTISA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@H]2C[C@@H]([N@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836489 804545165 /nfs/dbraw/zinc/54/51/65/804545165.db2.gz XWOIOPMRWFWHJG-JEVOJNTISA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848562 804558127 /nfs/dbraw/zinc/55/81/27/804558127.db2.gz WLKYPJKDTJVIMR-ZWKOTPCHSA-N 2 2 284.447 3.368 20 0 CGADLP c1ccc(C[C@H]2C[C@H]([N@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848562 804558133 /nfs/dbraw/zinc/55/81/33/804558133.db2.gz WLKYPJKDTJVIMR-ZWKOTPCHSA-N 2 2 284.447 3.368 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876675 804574298 /nfs/dbraw/zinc/57/42/98/804574298.db2.gz LRHMGPFRCLEFSE-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876675 804574302 /nfs/dbraw/zinc/57/43/02/804574302.db2.gz LRHMGPFRCLEFSE-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246886032 804581680 /nfs/dbraw/zinc/58/16/80/804581680.db2.gz GUDSRTGWYKUKIR-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246886032 804581685 /nfs/dbraw/zinc/58/16/85/804581685.db2.gz GUDSRTGWYKUKIR-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246918146 804599308 /nfs/dbraw/zinc/59/93/08/804599308.db2.gz WPKZOOJRBGHMRU-QWHCGFSZSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246918146 804599316 /nfs/dbraw/zinc/59/93/16/804599316.db2.gz WPKZOOJRBGHMRU-QWHCGFSZSA-N 2 2 299.245 3.274 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246937633 804608270 /nfs/dbraw/zinc/60/82/70/804608270.db2.gz JKFANDBLBIBAQH-FFSVYQOJSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246937633 804608273 /nfs/dbraw/zinc/60/82/73/804608273.db2.gz JKFANDBLBIBAQH-FFSVYQOJSA-N 2 2 278.827 3.009 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952294 804615294 /nfs/dbraw/zinc/61/52/94/804615294.db2.gz JAWSJADGPHBRNH-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952294 804615299 /nfs/dbraw/zinc/61/52/99/804615299.db2.gz JAWSJADGPHBRNH-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246953276 804617378 /nfs/dbraw/zinc/61/73/78/804617378.db2.gz QBXGXJIKWZLWBK-XLAORIBOSA-N 2 2 299.462 3.070 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246953276 804617381 /nfs/dbraw/zinc/61/73/81/804617381.db2.gz QBXGXJIKWZLWBK-XLAORIBOSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953887 804618331 /nfs/dbraw/zinc/61/83/31/804618331.db2.gz UQDLBLVMNAYOLQ-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953887 804618333 /nfs/dbraw/zinc/61/83/33/804618333.db2.gz UQDLBLVMNAYOLQ-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001141243450 804622102 /nfs/dbraw/zinc/62/21/02/804622102.db2.gz IQXGVWQJJQANIW-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001141243450 804622106 /nfs/dbraw/zinc/62/21/06/804622106.db2.gz IQXGVWQJJQANIW-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP CCOc1ccc2[nH+]c(CCCCC[NH3+])n(CC)c2c1 ZINC001247043077 804650459 /nfs/dbraw/zinc/65/04/59/804650459.db2.gz SKALWHSFEUXGDL-UHFFFAOYSA-N 2 2 275.396 3.126 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1csc(Cl)c1 ZINC001142775879 804768843 /nfs/dbraw/zinc/76/88/43/804768843.db2.gz OGRZDMASCHCXJC-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1csc(Cl)c1 ZINC001142775879 804768845 /nfs/dbraw/zinc/76/88/45/804768845.db2.gz OGRZDMASCHCXJC-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)ccc2[nH+]1 ZINC001143026776 804796344 /nfs/dbraw/zinc/79/63/44/804796344.db2.gz FCFOGOANQGFTOP-HZPDHXFCSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)ccc2[nH+]1 ZINC001143026776 804796347 /nfs/dbraw/zinc/79/63/47/804796347.db2.gz FCFOGOANQGFTOP-HZPDHXFCSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)ccc2[nH+]1 ZINC001143026696 804796411 /nfs/dbraw/zinc/79/64/11/804796411.db2.gz FCFOGOANQGFTOP-CVEARBPZSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)ccc2[nH+]1 ZINC001143026696 804796412 /nfs/dbraw/zinc/79/64/12/804796412.db2.gz FCFOGOANQGFTOP-CVEARBPZSA-N 2 2 269.392 3.489 20 0 CGADLP CC[N@H+](Cc1ccc2onc(C)c2c1)C1CC[NH+](C)CC1 ZINC001248702597 804970248 /nfs/dbraw/zinc/97/02/48/804970248.db2.gz LZEDEGGUGJKYAR-UHFFFAOYSA-N 2 2 287.407 3.052 20 0 CGADLP CC[N@@H+](Cc1ccc2onc(C)c2c1)C1CC[NH+](C)CC1 ZINC001248702597 804970255 /nfs/dbraw/zinc/97/02/55/804970255.db2.gz LZEDEGGUGJKYAR-UHFFFAOYSA-N 2 2 287.407 3.052 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3C)C[C@@H]2C1 ZINC001250207744 805490024 /nfs/dbraw/zinc/49/00/24/805490024.db2.gz ZMTPLRZYFAQKLL-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3C)C[C@@H]2C1 ZINC001250207744 805490031 /nfs/dbraw/zinc/49/00/31/805490031.db2.gz ZMTPLRZYFAQKLL-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(Cl)c3C)C[C@@H]2C1 ZINC001250207744 805490036 /nfs/dbraw/zinc/49/00/36/805490036.db2.gz ZMTPLRZYFAQKLL-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(Cl)c3C)C[C@@H]2C1 ZINC001250207744 805490041 /nfs/dbraw/zinc/49/00/41/805490041.db2.gz ZMTPLRZYFAQKLL-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP COc1ccc2ccc(NC[C@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2c1 ZINC001155024147 805525330 /nfs/dbraw/zinc/52/53/30/805525330.db2.gz GOEISWMWVWUIDG-DZGCQCFKSA-N 2 2 299.418 3.291 20 0 CGADLP CCSc1cc[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155117086 805541589 /nfs/dbraw/zinc/54/15/89/805541589.db2.gz CMEHCTWNGBPFKH-CQSZACIVSA-N 2 2 283.416 3.087 20 0 CGADLP CCOc1cc(Nc2ccc3c[nH+]cn3c2)cc(C)[nH+]1 ZINC001250326989 805570013 /nfs/dbraw/zinc/57/00/13/805570013.db2.gz GAWZWMFFWPLGNX-UHFFFAOYSA-N 2 2 268.320 3.180 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2COc3cc(Cl)ccc32)CC1 ZINC001257211236 807063763 /nfs/dbraw/zinc/06/37/63/807063763.db2.gz CHDYSQMRMOIEFC-HNNXBMFYSA-N 2 2 294.826 3.236 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001257219049 807065742 /nfs/dbraw/zinc/06/57/42/807065742.db2.gz CILUECSGNDTEPH-LBPRGKRZSA-N 2 2 278.362 3.134 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001257219049 807065748 /nfs/dbraw/zinc/06/57/48/807065748.db2.gz CILUECSGNDTEPH-LBPRGKRZSA-N 2 2 278.362 3.134 20 0 CGADLP [NH3+]C1CCN(c2cc(SCc3ccccc3)cc[nH+]2)CC1 ZINC001166665891 807077099 /nfs/dbraw/zinc/07/70/99/807077099.db2.gz NBAJBUJRZHMURB-UHFFFAOYSA-N 2 2 299.443 3.301 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001257405791 807140938 /nfs/dbraw/zinc/14/09/38/807140938.db2.gz QUEZQWFRGNRJBE-UHFFFAOYSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001257875778 807233675 /nfs/dbraw/zinc/23/36/75/807233675.db2.gz VPMQIJJSMHKQRX-ADKAHSJRSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001257875778 807233681 /nfs/dbraw/zinc/23/36/81/807233681.db2.gz VPMQIJJSMHKQRX-ADKAHSJRSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258060318 807282484 /nfs/dbraw/zinc/28/24/84/807282484.db2.gz HORDUFPUOYDEOI-IKGGRYGDSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258060318 807282490 /nfs/dbraw/zinc/28/24/90/807282490.db2.gz HORDUFPUOYDEOI-IKGGRYGDSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258062328 807283390 /nfs/dbraw/zinc/28/33/90/807283390.db2.gz JZWWANMCQFCDDZ-KBPBESRZSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258062328 807283395 /nfs/dbraw/zinc/28/33/95/807283395.db2.gz JZWWANMCQFCDDZ-KBPBESRZSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001168167421 807329701 /nfs/dbraw/zinc/32/97/01/807329701.db2.gz OUSDDLJKRALEOF-BBRMVZONSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001168167421 807329706 /nfs/dbraw/zinc/32/97/06/807329706.db2.gz OUSDDLJKRALEOF-BBRMVZONSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@@H]1CC([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H](C)C1 ZINC001258168381 807334521 /nfs/dbraw/zinc/33/45/21/807334521.db2.gz NXGXIPKFBMNFEF-IRXDYDNUSA-N 3 2 297.531 3.017 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001168215031 807352162 /nfs/dbraw/zinc/35/21/62/807352162.db2.gz LLNQWWVIDPUERR-VZDIDWBNSA-N 2 2 299.462 3.024 20 0 CGADLP CSCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258210625 807366455 /nfs/dbraw/zinc/36/64/55/807366455.db2.gz AZOLTTCMZKNQTB-LBPRGKRZSA-N 2 2 275.421 3.323 20 0 CGADLP Cc1[nH+]c2c(n1C1CCCCCCC1)CC[NH2+]CC2 ZINC001258237274 807382628 /nfs/dbraw/zinc/38/26/28/807382628.db2.gz IHGVJXSEKLULMI-UHFFFAOYSA-N 2 2 261.413 3.165 20 0 CGADLP COCC[N@H+](C1CC[NH+](C)CC1)C1CCCCCCC1 ZINC001258243378 807385248 /nfs/dbraw/zinc/38/52/48/807385248.db2.gz PYNPYIPDURESAV-UHFFFAOYSA-N 2 2 282.472 3.142 20 0 CGADLP COCC[N@@H+](C1CC[NH+](C)CC1)C1CCCCCCC1 ZINC001258243378 807385258 /nfs/dbraw/zinc/38/52/58/807385258.db2.gz PYNPYIPDURESAV-UHFFFAOYSA-N 2 2 282.472 3.142 20 0 CGADLP C[C@@H](CC1CC1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258456520 807461940 /nfs/dbraw/zinc/46/19/40/807461940.db2.gz MWCABISRLLQHJN-LBPRGKRZSA-N 2 2 255.365 3.370 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601714 807501326 /nfs/dbraw/zinc/50/13/26/807501326.db2.gz ZOBLPCBADVMIJH-BZSNNMDCSA-N 2 2 299.462 3.024 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258663759 807532642 /nfs/dbraw/zinc/53/26/42/807532642.db2.gz YGIFSJBGCZDHBT-IPMKNSEASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258663759 807532648 /nfs/dbraw/zinc/53/26/48/807532648.db2.gz YGIFSJBGCZDHBT-IPMKNSEASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258663759 807532651 /nfs/dbraw/zinc/53/26/51/807532651.db2.gz YGIFSJBGCZDHBT-IPMKNSEASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258663759 807532656 /nfs/dbraw/zinc/53/26/56/807532656.db2.gz YGIFSJBGCZDHBT-IPMKNSEASA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1CC[NH3+] ZINC001258674660 807539246 /nfs/dbraw/zinc/53/92/46/807539246.db2.gz CBQQHDNTJGLAHY-JTQLQIEISA-N 2 2 298.217 3.495 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001258701384 807555895 /nfs/dbraw/zinc/55/58/95/807555895.db2.gz IBORCYAXWOOFDT-WBVHZDCISA-N 2 2 262.441 3.328 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001169053568 807561596 /nfs/dbraw/zinc/56/15/96/807561596.db2.gz ISHZRZAQKARCMA-SFHVURJKSA-N 2 2 274.452 3.329 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C2 ZINC001169108564 807578536 /nfs/dbraw/zinc/57/85/36/807578536.db2.gz BJSYGQWMSRTVRZ-BTTYYORXSA-N 2 2 298.623 3.325 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C2 ZINC001169108564 807578543 /nfs/dbraw/zinc/57/85/43/807578543.db2.gz BJSYGQWMSRTVRZ-BTTYYORXSA-N 2 2 298.623 3.325 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258751914 807594038 /nfs/dbraw/zinc/59/40/38/807594038.db2.gz XJFCWNSRPGDEOV-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258751914 807594043 /nfs/dbraw/zinc/59/40/43/807594043.db2.gz XJFCWNSRPGDEOV-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153005 807594682 /nfs/dbraw/zinc/59/46/82/807594682.db2.gz GBAWKHACYMSADB-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153005 807594687 /nfs/dbraw/zinc/59/46/87/807594687.db2.gz GBAWKHACYMSADB-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153005 807594690 /nfs/dbraw/zinc/59/46/90/807594690.db2.gz GBAWKHACYMSADB-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153005 807594693 /nfs/dbraw/zinc/59/46/93/807594693.db2.gz GBAWKHACYMSADB-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2OC)CC1 ZINC001258771619 807605044 /nfs/dbraw/zinc/60/50/44/807605044.db2.gz LUWZPYNBCZRLAL-ZDUSSCGKSA-N 2 2 294.414 3.359 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2OC)CC1 ZINC001258771618 807605161 /nfs/dbraw/zinc/60/51/61/807605161.db2.gz LUWZPYNBCZRLAL-CYBMUJFWSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)C1 ZINC001258819101 807636281 /nfs/dbraw/zinc/63/62/81/807636281.db2.gz CDHHSFCHWWVXLN-MTNOOBJLSA-N 2 2 299.462 3.024 20 0 CGADLP COc1cccc2c(NCC34CC[NH+](CC3)CC4)cc[nH+]c12 ZINC001169801661 807709859 /nfs/dbraw/zinc/70/98/59/807709859.db2.gz FZAOTZRNCSDOCU-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP Cc1ccc[nH+]c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212803220 815142608 /nfs/dbraw/zinc/14/26/08/815142608.db2.gz VIBQYCSXBBSDGV-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001170087993 807751862 /nfs/dbraw/zinc/75/18/62/807751862.db2.gz NJHMXOMKRNIFDP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001170087993 807751868 /nfs/dbraw/zinc/75/18/68/807751868.db2.gz NJHMXOMKRNIFDP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001170087993 807751871 /nfs/dbraw/zinc/75/18/71/807751871.db2.gz NJHMXOMKRNIFDP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001170087993 807751876 /nfs/dbraw/zinc/75/18/76/807751876.db2.gz NJHMXOMKRNIFDP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170242548 807800522 /nfs/dbraw/zinc/80/05/22/807800522.db2.gz JOJMFBBMASYQQF-CYBMUJFWSA-N 2 2 268.832 3.202 20 0 CGADLP Cc1[nH+]cn([C@H](C)Cc2ccccc2Cl)c1CC[NH3+] ZINC001170250275 807805017 /nfs/dbraw/zinc/80/50/17/807805017.db2.gz JGBSBNFAYJTROR-LLVKDONJSA-N 2 2 277.799 3.150 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171016968 807961391 /nfs/dbraw/zinc/96/13/91/807961391.db2.gz CYSQACMMBBPPLP-DZGCQCFKSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1noc(C)c1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621063 808106785 /nfs/dbraw/zinc/10/67/85/808106785.db2.gz HXGODCLDLVOPGL-UHFFFAOYSA-N 2 2 279.428 3.032 20 0 CGADLP CC1(C)C[C@H]([NH+]2C=C(N)C=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977026 808163561 /nfs/dbraw/zinc/16/35/61/808163561.db2.gz WHQMWSKLCLGVHE-GOSISDBHSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@H]([NH+]2C=C(N)C=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977026 808163567 /nfs/dbraw/zinc/16/35/67/808163567.db2.gz WHQMWSKLCLGVHE-GOSISDBHSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@H]([N@H+]2C=C(N)C=CC2)CC[NH+]1Cc1ccccc1 ZINC001171977026 808163572 /nfs/dbraw/zinc/16/35/72/808163572.db2.gz WHQMWSKLCLGVHE-GOSISDBHSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2C=C(N)C=CC2)CC[NH+]1Cc1ccccc1 ZINC001171977026 808163582 /nfs/dbraw/zinc/16/35/82/808163582.db2.gz WHQMWSKLCLGVHE-GOSISDBHSA-N 2 2 297.446 3.102 20 0 CGADLP C[N@H+](CCF)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989609 808165232 /nfs/dbraw/zinc/16/52/32/808165232.db2.gz FFCPPZTVJMVYRZ-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP C[N@@H+](CCF)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989609 808165236 /nfs/dbraw/zinc/16/52/36/808165236.db2.gz FFCPPZTVJMVYRZ-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP C[NH+](CCF)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989609 808165242 /nfs/dbraw/zinc/16/52/42/808165242.db2.gz FFCPPZTVJMVYRZ-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP C[NH+](CCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989609 808165245 /nfs/dbraw/zinc/16/52/45/808165245.db2.gz FFCPPZTVJMVYRZ-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172388646 808280019 /nfs/dbraw/zinc/28/00/19/808280019.db2.gz NGLXENPUTVJIJY-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172388646 808280023 /nfs/dbraw/zinc/28/00/23/808280023.db2.gz NGLXENPUTVJIJY-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405509 808293602 /nfs/dbraw/zinc/29/36/02/808293602.db2.gz YPKIKUOPTXVZOJ-JYJNAYRXSA-N 2 2 270.436 3.319 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405509 808293607 /nfs/dbraw/zinc/29/36/07/808293607.db2.gz YPKIKUOPTXVZOJ-JYJNAYRXSA-N 2 2 270.436 3.319 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172816423 808443312 /nfs/dbraw/zinc/44/33/12/808443312.db2.gz IKVZMASWKCYYBK-FAEJEUNOSA-N 2 2 274.452 3.328 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172823389 808446247 /nfs/dbraw/zinc/44/62/47/808446247.db2.gz RZWLSZQIAZSQMQ-UHFFFAOYSA-N 2 2 297.446 3.354 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001172832632 808451525 /nfs/dbraw/zinc/45/15/25/808451525.db2.gz SLYFOYRRUYKDSN-RTBURBONSA-N 2 2 298.474 3.459 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001172832632 808451527 /nfs/dbraw/zinc/45/15/27/808451527.db2.gz SLYFOYRRUYKDSN-RTBURBONSA-N 2 2 298.474 3.459 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172839020 808454879 /nfs/dbraw/zinc/45/48/79/808454879.db2.gz AJIZYYVJZGIQIR-QWHCGFSZSA-N 2 2 298.833 3.484 20 0 CGADLP CO[C@H]1CCC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001172928881 808486196 /nfs/dbraw/zinc/48/61/96/808486196.db2.gz MEXUQTJXCSBTQG-CVEARBPZSA-N 2 2 285.391 3.139 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001173273220 808577470 /nfs/dbraw/zinc/57/74/70/808577470.db2.gz MTRCXAVLKKLIHS-BPUTZDHNSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001173273220 808577477 /nfs/dbraw/zinc/57/74/77/808577477.db2.gz MTRCXAVLKKLIHS-BPUTZDHNSA-N 2 2 250.430 3.029 20 0 CGADLP C[NH+](C)C[C@@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347090 808624962 /nfs/dbraw/zinc/62/49/62/808624962.db2.gz WVCBPOGQPIOEEX-IAGOWNOFSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+](C)C[C@@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347090 808624967 /nfs/dbraw/zinc/62/49/67/808624967.db2.gz WVCBPOGQPIOEEX-IAGOWNOFSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687869 808665327 /nfs/dbraw/zinc/66/53/27/808665327.db2.gz UVHRMVKMXJHNMN-QPIRBTGLSA-N 2 2 298.474 3.497 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687869 808665334 /nfs/dbraw/zinc/66/53/34/808665334.db2.gz UVHRMVKMXJHNMN-QPIRBTGLSA-N 2 2 298.474 3.497 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001275899305 808974109 /nfs/dbraw/zinc/97/41/09/808974109.db2.gz UAVGFUURQDPMBF-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001275899305 808974112 /nfs/dbraw/zinc/97/41/12/808974112.db2.gz UAVGFUURQDPMBF-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001275899305 808974114 /nfs/dbraw/zinc/97/41/14/808974114.db2.gz UAVGFUURQDPMBF-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001275899305 808974119 /nfs/dbraw/zinc/97/41/19/808974119.db2.gz UAVGFUURQDPMBF-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C2CCCC2)C3)c1 ZINC001277930743 809105862 /nfs/dbraw/zinc/10/58/62/809105862.db2.gz SSASOMDYLGLRHQ-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C2CCCC2)C3)c1 ZINC001277930743 809105865 /nfs/dbraw/zinc/10/58/65/809105865.db2.gz SSASOMDYLGLRHQ-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C2CCCC2)C3)c1 ZINC001277930743 809105868 /nfs/dbraw/zinc/10/58/68/809105868.db2.gz SSASOMDYLGLRHQ-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C2CCCC2)C3)c1 ZINC001277930743 809105871 /nfs/dbraw/zinc/10/58/71/809105871.db2.gz SSASOMDYLGLRHQ-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP FCCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001278206007 809119608 /nfs/dbraw/zinc/11/96/08/809119608.db2.gz DFRCANDWPFKEGF-UHFFFAOYSA-N 2 2 296.352 3.086 20 0 CGADLP FCCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001278206007 809119612 /nfs/dbraw/zinc/11/96/12/809119612.db2.gz DFRCANDWPFKEGF-UHFFFAOYSA-N 2 2 296.352 3.086 20 0 CGADLP COc1cc[nH+]cc1Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC001176124658 809630420 /nfs/dbraw/zinc/63/04/20/809630420.db2.gz UBQMIUQDVCSZBE-OAHLLOKOSA-N 2 2 299.374 3.219 20 0 CGADLP C[NH+](C)CCOc1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001176222898 809650444 /nfs/dbraw/zinc/65/04/44/809650444.db2.gz WSSICGNDDNSBBE-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+]1CCCCC1 ZINC001177429130 809798539 /nfs/dbraw/zinc/79/85/39/809798539.db2.gz PCZMDWUVMOVXPU-VQIMIIECSA-N 2 2 286.463 3.398 20 0 CGADLP CC(C)(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001178778505 809887998 /nfs/dbraw/zinc/88/79/98/809887998.db2.gz OAUHNRMWIFASAL-OFLPRAFFSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)C1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001178778505 809888004 /nfs/dbraw/zinc/88/80/04/809888004.db2.gz OAUHNRMWIFASAL-OFLPRAFFSA-N 2 2 296.499 3.028 20 0 CGADLP Cc1occc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001178860102 809891571 /nfs/dbraw/zinc/89/15/71/809891571.db2.gz RVUKKIRUXYODKH-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC001181586836 810060833 /nfs/dbraw/zinc/06/08/33/810060833.db2.gz DONCAHAFEFBPNL-ARFHVFGLSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC001181586836 810060836 /nfs/dbraw/zinc/06/08/36/810060836.db2.gz DONCAHAFEFBPNL-ARFHVFGLSA-N 2 2 252.446 3.419 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001182195938 810098205 /nfs/dbraw/zinc/09/82/05/810098205.db2.gz LOOPLLKVHCIAPE-FUHWJXTLSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001182855186 810127702 /nfs/dbraw/zinc/12/77/02/810127702.db2.gz NISAJRBGOQJWEC-HOTGVXAUSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001182855186 810127704 /nfs/dbraw/zinc/12/77/04/810127704.db2.gz NISAJRBGOQJWEC-HOTGVXAUSA-N 2 2 272.436 3.179 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919133 810131070 /nfs/dbraw/zinc/13/10/70/810131070.db2.gz VPPLCVWGWNWIJT-KYHPRHEASA-N 2 2 276.468 3.419 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919133 810131074 /nfs/dbraw/zinc/13/10/74/810131074.db2.gz VPPLCVWGWNWIJT-KYHPRHEASA-N 2 2 276.468 3.419 20 0 CGADLP Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001187045920 810380846 /nfs/dbraw/zinc/38/08/46/810380846.db2.gz YNASEHJXBLGEAV-CQSZACIVSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001187045920 810380849 /nfs/dbraw/zinc/38/08/49/810380849.db2.gz YNASEHJXBLGEAV-CQSZACIVSA-N 2 2 288.439 3.196 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001198991982 811553499 /nfs/dbraw/zinc/55/34/99/811553499.db2.gz URUCGXPDHHOPAB-CVEARBPZSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001198991984 811553741 /nfs/dbraw/zinc/55/37/41/811553741.db2.gz URUCGXPDHHOPAB-HOTGVXAUSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201497026 811866322 /nfs/dbraw/zinc/86/63/22/811866322.db2.gz TZPSHTRTTOCOFH-GVDBMIGSSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201497026 811866323 /nfs/dbraw/zinc/86/63/23/811866323.db2.gz TZPSHTRTTOCOFH-GVDBMIGSSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201497026 811866327 /nfs/dbraw/zinc/86/63/27/811866327.db2.gz TZPSHTRTTOCOFH-GVDBMIGSSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201497026 811866334 /nfs/dbraw/zinc/86/63/34/811866334.db2.gz TZPSHTRTTOCOFH-GVDBMIGSSA-N 2 2 264.457 3.395 20 0 CGADLP CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201731658 811950311 /nfs/dbraw/zinc/95/03/11/811950311.db2.gz SWLBZVQHQPVKCB-QZTJIDSGSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201731658 811950316 /nfs/dbraw/zinc/95/03/16/811950316.db2.gz SWLBZVQHQPVKCB-QZTJIDSGSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201731658 811950320 /nfs/dbraw/zinc/95/03/20/811950320.db2.gz SWLBZVQHQPVKCB-QZTJIDSGSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001201731658 811950323 /nfs/dbraw/zinc/95/03/23/811950323.db2.gz SWLBZVQHQPVKCB-QZTJIDSGSA-N 2 2 287.451 3.026 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001202114869 812016788 /nfs/dbraw/zinc/01/67/88/812016788.db2.gz GNXPPWPCOOLFEP-CQSZACIVSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001202114869 812016798 /nfs/dbraw/zinc/01/67/98/812016798.db2.gz GNXPPWPCOOLFEP-CQSZACIVSA-N 2 2 262.397 3.279 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CCC(C)(C)O3)CC2)c(C)[nH+]1 ZINC001203247804 812281603 /nfs/dbraw/zinc/28/16/03/812281603.db2.gz JVGDZFMPSHKNIW-UHFFFAOYSA-N 2 2 291.439 3.204 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001203658155 812419537 /nfs/dbraw/zinc/41/95/37/812419537.db2.gz YHSCQLGQPSCNSG-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001203922178 812493486 /nfs/dbraw/zinc/49/34/86/812493486.db2.gz MIBKFLIRBIRKQR-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001203922178 812493489 /nfs/dbraw/zinc/49/34/89/812493489.db2.gz MIBKFLIRBIRKQR-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001203922178 812493490 /nfs/dbraw/zinc/49/34/90/812493490.db2.gz MIBKFLIRBIRKQR-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001203922178 812493493 /nfs/dbraw/zinc/49/34/93/812493493.db2.gz MIBKFLIRBIRKQR-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccccc12)C1CC[NH+](C)CC1 ZINC001204043618 812531892 /nfs/dbraw/zinc/53/18/92/812531892.db2.gz WIIPIVQXQNZNEU-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccccc12)C1CC[NH+](C)CC1 ZINC001204043618 812531900 /nfs/dbraw/zinc/53/19/00/812531900.db2.gz WIIPIVQXQNZNEU-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Cc1c(-c2ccc(C[NH+](C)C)cc2)ccc2[nH+]ccn21 ZINC001204660351 812702606 /nfs/dbraw/zinc/70/26/06/812702606.db2.gz BYKKOYRQJPXHRG-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204884871 812763850 /nfs/dbraw/zinc/76/38/50/812763850.db2.gz BGYZPQZKKUNNPC-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204884871 812763853 /nfs/dbraw/zinc/76/38/53/812763853.db2.gz BGYZPQZKKUNNPC-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001204938068 812787089 /nfs/dbraw/zinc/78/70/89/812787089.db2.gz HYCQROWCSSJWEZ-QGZVFWFLSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001204938068 812787094 /nfs/dbraw/zinc/78/70/94/812787094.db2.gz HYCQROWCSSJWEZ-QGZVFWFLSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205088307 812855495 /nfs/dbraw/zinc/85/54/95/812855495.db2.gz NPWLLNLYTLLEAU-BBRMVZONSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001205088307 812855505 /nfs/dbraw/zinc/85/55/05/812855505.db2.gz NPWLLNLYTLLEAU-BBRMVZONSA-N 2 2 299.393 3.199 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102149 812868087 /nfs/dbraw/zinc/86/80/87/812868087.db2.gz PDFWQDOFIRUIES-CQSZACIVSA-N 2 2 282.815 3.052 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102149 812868096 /nfs/dbraw/zinc/86/80/96/812868096.db2.gz PDFWQDOFIRUIES-CQSZACIVSA-N 2 2 282.815 3.052 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205110472 812871658 /nfs/dbraw/zinc/87/16/58/812871658.db2.gz SVTJXHUDWRCTJA-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205110472 812871671 /nfs/dbraw/zinc/87/16/71/812871671.db2.gz SVTJXHUDWRCTJA-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205182741 812900569 /nfs/dbraw/zinc/90/05/69/812900569.db2.gz JJROXHCGWAYJOM-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205182741 812900575 /nfs/dbraw/zinc/90/05/75/812900575.db2.gz JJROXHCGWAYJOM-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001205325149 812954972 /nfs/dbraw/zinc/95/49/72/812954972.db2.gz KIYUBATZWLLXNZ-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205325149 812954974 /nfs/dbraw/zinc/95/49/74/812954974.db2.gz KIYUBATZWLLXNZ-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP COc1ccc2oc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205815586 813091234 /nfs/dbraw/zinc/09/12/34/813091234.db2.gz HRPSQYRRIOOABK-GXTWGEPZSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205815586 813091241 /nfs/dbraw/zinc/09/12/41/813091241.db2.gz HRPSQYRRIOOABK-GXTWGEPZSA-N 2 2 288.391 3.001 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205817359 813094528 /nfs/dbraw/zinc/09/45/28/813094528.db2.gz QJFWLYSWDOILGP-JSGCOSHPSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205817359 813094538 /nfs/dbraw/zinc/09/45/38/813094538.db2.gz QJFWLYSWDOILGP-JSGCOSHPSA-N 2 2 271.408 3.036 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205816913 813094791 /nfs/dbraw/zinc/09/47/91/813094791.db2.gz PAEXCUAMYPLYDY-GXTWGEPZSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205816913 813094800 /nfs/dbraw/zinc/09/48/00/813094800.db2.gz PAEXCUAMYPLYDY-GXTWGEPZSA-N 2 2 274.433 3.461 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856607 813109384 /nfs/dbraw/zinc/10/93/84/813109384.db2.gz XHMFNNMOGBBUNN-IUODEOHRSA-N 2 2 278.465 3.276 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856607 813109389 /nfs/dbraw/zinc/10/93/89/813109389.db2.gz XHMFNNMOGBBUNN-IUODEOHRSA-N 2 2 278.465 3.276 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205923026 813134617 /nfs/dbraw/zinc/13/46/17/813134617.db2.gz GVAPIRIGUVIPJZ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205923026 813134620 /nfs/dbraw/zinc/13/46/20/813134620.db2.gz GVAPIRIGUVIPJZ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1C(C)C ZINC001206277341 813269227 /nfs/dbraw/zinc/26/92/27/813269227.db2.gz RZORFPUSIFHXHO-AWEZNQCLSA-N 2 2 290.451 3.168 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1C(C)C ZINC001206277341 813269234 /nfs/dbraw/zinc/26/92/34/813269234.db2.gz RZORFPUSIFHXHO-AWEZNQCLSA-N 2 2 290.451 3.168 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001206649301 813388423 /nfs/dbraw/zinc/38/84/23/813388423.db2.gz TXBJRRUIJIMZKI-ZDUSSCGKSA-N 2 2 295.858 3.419 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001206649301 813388432 /nfs/dbraw/zinc/38/84/32/813388432.db2.gz TXBJRRUIJIMZKI-ZDUSSCGKSA-N 2 2 295.858 3.419 20 0 CGADLP Cc1cc(C)[nH+]c(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206708080 813403686 /nfs/dbraw/zinc/40/36/86/813403686.db2.gz HSUXDTZUVGXFPV-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP Cc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001207060044 813476770 /nfs/dbraw/zinc/47/67/70/813476770.db2.gz FSTKFWMUHONSLO-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1ncc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001207060044 813476775 /nfs/dbraw/zinc/47/67/75/813476775.db2.gz FSTKFWMUHONSLO-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207136704 813496489 /nfs/dbraw/zinc/49/64/89/813496489.db2.gz CSSROIMSPCJOQT-INIZCTEOSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001207136704 813496494 /nfs/dbraw/zinc/49/64/94/813496494.db2.gz CSSROIMSPCJOQT-INIZCTEOSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208902005 813891438 /nfs/dbraw/zinc/89/14/38/813891438.db2.gz PKWHJDZKYVXFLH-RYUDHWBXSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208902005 813891446 /nfs/dbraw/zinc/89/14/46/813891446.db2.gz PKWHJDZKYVXFLH-RYUDHWBXSA-N 2 2 288.313 3.042 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235375 813978060 /nfs/dbraw/zinc/97/80/60/813978060.db2.gz OVLWTJVXSKPVHO-RBUKOAKNSA-N 2 2 286.463 3.425 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235375 813978066 /nfs/dbraw/zinc/97/80/66/813978066.db2.gz OVLWTJVXSKPVHO-RBUKOAKNSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235375 813978073 /nfs/dbraw/zinc/97/80/73/813978073.db2.gz OVLWTJVXSKPVHO-RBUKOAKNSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235375 813978078 /nfs/dbraw/zinc/97/80/78/813978078.db2.gz OVLWTJVXSKPVHO-RBUKOAKNSA-N 2 2 286.463 3.425 20 0 CGADLP c1cncc([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209448548 814047253 /nfs/dbraw/zinc/04/72/53/814047253.db2.gz BGYHAWZXYLMQMZ-SFHVURJKSA-N 2 2 287.451 3.485 20 0 CGADLP c1cncc([C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209448548 814047261 /nfs/dbraw/zinc/04/72/61/814047261.db2.gz BGYHAWZXYLMQMZ-SFHVURJKSA-N 2 2 287.451 3.485 20 0 CGADLP Cc1cc(Cl)ncc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209635222 814103518 /nfs/dbraw/zinc/10/35/18/814103518.db2.gz CKJIOOMYIHOFOL-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(Cl)ncc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209635222 814103519 /nfs/dbraw/zinc/10/35/19/814103519.db2.gz CKJIOOMYIHOFOL-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP c1cn2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001242691890 823101321 /nfs/dbraw/zinc/10/13/21/823101321.db2.gz PUSFDIHHVIYNSA-INIZCTEOSA-N 2 2 267.376 3.366 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1c[nH+]ccc1N ZINC001209730581 814123313 /nfs/dbraw/zinc/12/33/13/814123313.db2.gz YRPKFISOCORBJR-UHFFFAOYSA-N 2 2 296.201 3.433 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1c[nH+]ccc1N ZINC001209730581 814123316 /nfs/dbraw/zinc/12/33/16/814123316.db2.gz YRPKFISOCORBJR-UHFFFAOYSA-N 2 2 296.201 3.433 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001209733398 814124581 /nfs/dbraw/zinc/12/45/81/814124581.db2.gz LKGGQAYEQOLPIB-MRXNPFEDSA-N 2 2 289.329 3.109 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001209733398 814124585 /nfs/dbraw/zinc/12/45/85/814124585.db2.gz LKGGQAYEQOLPIB-MRXNPFEDSA-N 2 2 289.329 3.109 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cc[nH+]c(SC)c2)c1 ZINC001211138848 814837120 /nfs/dbraw/zinc/83/71/20/814837120.db2.gz WWEJSVMDUPDXLD-UHFFFAOYSA-N 2 2 259.378 3.267 20 0 CGADLP CC/C=C\CCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192031 816372023 /nfs/dbraw/zinc/37/20/23/816372023.db2.gz RZGUHOMTYZXZGG-MJSXRHKHSA-N 2 2 250.430 3.341 20 0 CGADLP CC/C=C\CCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192031 816372029 /nfs/dbraw/zinc/37/20/29/816372029.db2.gz RZGUHOMTYZXZGG-MJSXRHKHSA-N 2 2 250.430 3.341 20 0 CGADLP c1nc2cccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2s1 ZINC001222252578 816387076 /nfs/dbraw/zinc/38/70/76/816387076.db2.gz GUPPPZCFPIEBPP-MRXNPFEDSA-N 2 2 287.432 3.014 20 0 CGADLP c1nc2cccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2s1 ZINC001222252578 816387081 /nfs/dbraw/zinc/38/70/81/816387081.db2.gz GUPPPZCFPIEBPP-MRXNPFEDSA-N 2 2 287.432 3.014 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222278270 816393942 /nfs/dbraw/zinc/39/39/42/816393942.db2.gz ZMVOQLITNHFBGI-GOSISDBHSA-N 2 2 289.467 3.278 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222278270 816393950 /nfs/dbraw/zinc/39/39/50/816393950.db2.gz ZMVOQLITNHFBGI-GOSISDBHSA-N 2 2 289.467 3.278 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222346330 816415382 /nfs/dbraw/zinc/41/53/82/816415382.db2.gz QCKIJDYDIRBLKI-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222346330 816415387 /nfs/dbraw/zinc/41/53/87/816415387.db2.gz QCKIJDYDIRBLKI-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2o1 ZINC001222361198 816419073 /nfs/dbraw/zinc/41/90/73/816419073.db2.gz WVCWWDRDZCWZAF-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2o1 ZINC001222361198 816419080 /nfs/dbraw/zinc/41/90/80/816419080.db2.gz WVCWWDRDZCWZAF-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222356271 816419266 /nfs/dbraw/zinc/41/92/66/816419266.db2.gz YATRXBHDOSFMCF-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222356271 816419268 /nfs/dbraw/zinc/41/92/68/816419268.db2.gz YATRXBHDOSFMCF-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP Cc1c(C[NH+]2CC3(C2)CC[NH2+]C3)cccc1-c1ccccc1 ZINC001222380098 816423820 /nfs/dbraw/zinc/42/38/20/816423820.db2.gz RVKNCOODELZYDD-UHFFFAOYSA-N 2 2 292.426 3.457 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222477973 816454851 /nfs/dbraw/zinc/45/48/51/816454851.db2.gz WZQLHVRXDBUKFU-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222477973 816454857 /nfs/dbraw/zinc/45/48/57/816454857.db2.gz WZQLHVRXDBUKFU-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP C[NH2+]Cc1ccc(-c2cn3cc[nH+]c3cc2C)cc1 ZINC001242992704 823201790 /nfs/dbraw/zinc/20/17/90/823201790.db2.gz MBVVQYSZYXPBFX-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC001243107172 823250346 /nfs/dbraw/zinc/25/03/46/823250346.db2.gz SMRHCAJKNGNXQY-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC001243107172 823250349 /nfs/dbraw/zinc/25/03/49/823250349.db2.gz SMRHCAJKNGNXQY-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc3ccsc3c2)CC1 ZINC001232610289 818395423 /nfs/dbraw/zinc/39/54/23/818395423.db2.gz MPXPOHIWQQEVTD-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cccc(-c2ccsc2)c1 ZINC001235008331 818978345 /nfs/dbraw/zinc/97/83/45/818978345.db2.gz SQRGPWLMDWHGAQ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1cccc(-c2ccsc2)c1 ZINC001235008331 818978352 /nfs/dbraw/zinc/97/83/52/818978352.db2.gz SQRGPWLMDWHGAQ-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036917 818985628 /nfs/dbraw/zinc/98/56/28/818985628.db2.gz ABJNHFXWIVZEJZ-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235036917 818985633 /nfs/dbraw/zinc/98/56/33/818985633.db2.gz ABJNHFXWIVZEJZ-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)cc1F ZINC001235040095 818987756 /nfs/dbraw/zinc/98/77/56/818987756.db2.gz QDFYNWMXNQINTJ-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)cc1F ZINC001235040095 818987758 /nfs/dbraw/zinc/98/77/58/818987758.db2.gz QDFYNWMXNQINTJ-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235066574 818995128 /nfs/dbraw/zinc/99/51/28/818995128.db2.gz STLBIYDIMPPACC-LJQANCHMSA-N 2 2 278.399 3.291 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235066574 818995134 /nfs/dbraw/zinc/99/51/34/818995134.db2.gz STLBIYDIMPPACC-LJQANCHMSA-N 2 2 278.399 3.291 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c2c(c1)CCCC2 ZINC001235117569 819010877 /nfs/dbraw/zinc/01/08/77/819010877.db2.gz JXUFUMQNDJKOPZ-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c2c(c1)CCCC2 ZINC001235117569 819010882 /nfs/dbraw/zinc/01/08/82/819010882.db2.gz JXUFUMQNDJKOPZ-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP Cc1cccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1C ZINC001235126032 819012096 /nfs/dbraw/zinc/01/20/96/819012096.db2.gz RBUVNWOVNCVRFL-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1C ZINC001235126032 819012102 /nfs/dbraw/zinc/01/21/02/819012102.db2.gz RBUVNWOVNCVRFL-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)o1 ZINC001235121378 819012424 /nfs/dbraw/zinc/01/24/24/819012424.db2.gz DCZODVLSPHQTGF-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)o1 ZINC001235121378 819012427 /nfs/dbraw/zinc/01/24/27/819012427.db2.gz DCZODVLSPHQTGF-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235165359 819020839 /nfs/dbraw/zinc/02/08/39/819020839.db2.gz IZHUAZQIWWIWHZ-DZGCQCFKSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235165359 819020848 /nfs/dbraw/zinc/02/08/48/819020848.db2.gz IZHUAZQIWWIWHZ-DZGCQCFKSA-N 2 2 298.352 3.061 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001235254510 819051635 /nfs/dbraw/zinc/05/16/35/819051635.db2.gz BUTDRNFHUGFQLC-IAGOWNOFSA-N 2 2 282.387 3.049 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001235254510 819051636 /nfs/dbraw/zinc/05/16/36/819051636.db2.gz BUTDRNFHUGFQLC-IAGOWNOFSA-N 2 2 282.387 3.049 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC001235473189 819107848 /nfs/dbraw/zinc/10/78/48/819107848.db2.gz MRMKNXXHRREZOA-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001235473189 819107852 /nfs/dbraw/zinc/10/78/52/819107852.db2.gz MRMKNXXHRREZOA-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001235676505 819137579 /nfs/dbraw/zinc/13/75/79/819137579.db2.gz RQMLEHQBSMPSEO-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001235676505 819137581 /nfs/dbraw/zinc/13/75/81/819137581.db2.gz RQMLEHQBSMPSEO-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235727471 819155304 /nfs/dbraw/zinc/15/53/04/819155304.db2.gz SJIHNLVKCQLVFX-DLBZAZTESA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001235727471 819155309 /nfs/dbraw/zinc/15/53/09/819155309.db2.gz SJIHNLVKCQLVFX-DLBZAZTESA-N 2 2 298.405 3.185 20 0 CGADLP Oc1cc(Cl)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001235904890 819214745 /nfs/dbraw/zinc/21/47/45/819214745.db2.gz SVLZDIMMAUMXKL-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC001235925545 819224609 /nfs/dbraw/zinc/22/46/09/819224609.db2.gz ULQGYYRHYCFLBX-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC001235925545 819224614 /nfs/dbraw/zinc/22/46/14/819224614.db2.gz ULQGYYRHYCFLBX-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001235948734 819237946 /nfs/dbraw/zinc/23/79/46/819237946.db2.gz TWISFFWGIUPKOI-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001235948734 819237953 /nfs/dbraw/zinc/23/79/53/819237953.db2.gz TWISFFWGIUPKOI-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959989 819246831 /nfs/dbraw/zinc/24/68/31/819246831.db2.gz QYNCYPDMMRHQRQ-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959989 819246837 /nfs/dbraw/zinc/24/68/37/819246837.db2.gz QYNCYPDMMRHQRQ-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235961260 819249457 /nfs/dbraw/zinc/24/94/57/819249457.db2.gz CUUZQCILKKEHJZ-BBWFWOEESA-N 2 2 282.472 3.249 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235961260 819249462 /nfs/dbraw/zinc/24/94/62/819249462.db2.gz CUUZQCILKKEHJZ-BBWFWOEESA-N 2 2 282.472 3.249 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001236006735 819271121 /nfs/dbraw/zinc/27/11/21/819271121.db2.gz JPLZEZGEJHITIU-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(C)c12)[C@H]1CCC[NH2+]C1 ZINC001236006735 819271127 /nfs/dbraw/zinc/27/11/27/819271127.db2.gz JPLZEZGEJHITIU-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)[C@H]1CCC[NH2+]C1 ZINC001236005774 819271254 /nfs/dbraw/zinc/27/12/54/819271254.db2.gz DNMNMXKRPZOPJB-INIZCTEOSA-N 2 2 290.451 3.194 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)[C@H]1CCC[NH2+]C1 ZINC001236005774 819271259 /nfs/dbraw/zinc/27/12/59/819271259.db2.gz DNMNMXKRPZOPJB-INIZCTEOSA-N 2 2 290.451 3.194 20 0 CGADLP CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC001236006380 819271554 /nfs/dbraw/zinc/27/15/54/819271554.db2.gz RZRVIOFMWVGUFB-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC001236006380 819271561 /nfs/dbraw/zinc/27/15/61/819271561.db2.gz RZRVIOFMWVGUFB-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCOc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1CC ZINC001236009489 819273985 /nfs/dbraw/zinc/27/39/85/819273985.db2.gz ZGYIHWWJEJATHV-KRWDZBQOSA-N 2 2 290.451 3.222 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1CC ZINC001236009489 819273993 /nfs/dbraw/zinc/27/39/93/819273993.db2.gz ZGYIHWWJEJATHV-KRWDZBQOSA-N 2 2 290.451 3.222 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001236069185 819299471 /nfs/dbraw/zinc/29/94/71/819299471.db2.gz WYGPSPLZHKVZBA-LLVKDONJSA-N 2 2 284.856 3.103 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001236069185 819299481 /nfs/dbraw/zinc/29/94/81/819299481.db2.gz WYGPSPLZHKVZBA-LLVKDONJSA-N 2 2 284.856 3.103 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)s1 ZINC001236095329 819314014 /nfs/dbraw/zinc/31/40/14/819314014.db2.gz QLFVLLSPUSVRNI-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)s1 ZINC001236095329 819314022 /nfs/dbraw/zinc/31/40/22/819314022.db2.gz QLFVLLSPUSVRNI-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP C[NH2+]CCC[N@@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001236104063 819321576 /nfs/dbraw/zinc/32/15/76/819321576.db2.gz HEGMBJUIXPETBG-UXHICEINSA-N 2 2 292.426 3.472 20 0 CGADLP C[NH2+]CCC[N@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001236104063 819321584 /nfs/dbraw/zinc/32/15/84/819321584.db2.gz HEGMBJUIXPETBG-UXHICEINSA-N 2 2 292.426 3.472 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236108640 819324167 /nfs/dbraw/zinc/32/41/67/819324167.db2.gz LVMXFUVUGZLMCP-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236108640 819324170 /nfs/dbraw/zinc/32/41/70/819324170.db2.gz LVMXFUVUGZLMCP-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)cc21 ZINC001236205174 819367333 /nfs/dbraw/zinc/36/73/33/819367333.db2.gz CKIHFUKPAPUNCX-GOSISDBHSA-N 2 2 285.435 3.235 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)cc21 ZINC001236205174 819367335 /nfs/dbraw/zinc/36/73/35/819367335.db2.gz CKIHFUKPAPUNCX-GOSISDBHSA-N 2 2 285.435 3.235 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205012 819367908 /nfs/dbraw/zinc/36/79/08/819367908.db2.gz FFVZBZKNODOYHN-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205012 819367911 /nfs/dbraw/zinc/36/79/11/819367911.db2.gz FFVZBZKNODOYHN-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214715 819378775 /nfs/dbraw/zinc/37/87/75/819378775.db2.gz DWMMKFVVJYANFS-GJZGRUSLSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214715 819378779 /nfs/dbraw/zinc/37/87/79/819378779.db2.gz DWMMKFVVJYANFS-GJZGRUSLSA-N 2 2 282.815 3.050 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217725 819383621 /nfs/dbraw/zinc/38/36/21/819383621.db2.gz PWOCSGPREVBDSA-HZPDHXFCSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217725 819383626 /nfs/dbraw/zinc/38/36/26/819383626.db2.gz PWOCSGPREVBDSA-HZPDHXFCSA-N 2 2 276.424 3.095 20 0 CGADLP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220468 819387913 /nfs/dbraw/zinc/38/79/13/819387913.db2.gz ZIUUODACMOSSKA-CABCVRRESA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220468 819387918 /nfs/dbraw/zinc/38/79/18/819387918.db2.gz ZIUUODACMOSSKA-CABCVRRESA-N 2 2 263.429 3.014 20 0 CGADLP Cc1cccc(C)c1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238276 819398176 /nfs/dbraw/zinc/39/81/76/819398176.db2.gz BHUPGRWJOAXIGG-MRXNPFEDSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C)c1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238276 819398184 /nfs/dbraw/zinc/39/81/84/819398184.db2.gz BHUPGRWJOAXIGG-MRXNPFEDSA-N 2 2 258.409 3.020 20 0 CGADLP CCCc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236239340 819399456 /nfs/dbraw/zinc/39/94/56/819399456.db2.gz JYSSNPZQYYCVPR-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CCCc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236239340 819399462 /nfs/dbraw/zinc/39/94/62/819399462.db2.gz JYSSNPZQYYCVPR-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CC[N@@H+](Cc1c(Cl)cccc1SC)C[C@@H]1CC[NH2+]C1 ZINC001236407316 819454492 /nfs/dbraw/zinc/45/44/92/819454492.db2.gz DAEREVKPNWWLHX-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP CC[N@H+](Cc1c(Cl)cccc1SC)C[C@@H]1CC[NH2+]C1 ZINC001236407316 819454495 /nfs/dbraw/zinc/45/44/95/819454495.db2.gz DAEREVKPNWWLHX-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP CC(C)C[N@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236473384 819492496 /nfs/dbraw/zinc/49/24/96/819492496.db2.gz HSHATVWVWNMYBH-QGZVFWFLSA-N 2 2 285.435 3.378 20 0 CGADLP CC(C)C[N@@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236473384 819492499 /nfs/dbraw/zinc/49/24/99/819492499.db2.gz HSHATVWVWNMYBH-QGZVFWFLSA-N 2 2 285.435 3.378 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511555 819509276 /nfs/dbraw/zinc/50/92/76/819509276.db2.gz QQNJUVYZGGWLRW-CHWSQXEVSA-N 2 2 294.389 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511555 819509280 /nfs/dbraw/zinc/50/92/80/819509280.db2.gz QQNJUVYZGGWLRW-CHWSQXEVSA-N 2 2 294.389 3.175 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC001236526157 819518329 /nfs/dbraw/zinc/51/83/29/819518329.db2.gz CQOMJDIRRSKBHM-KRWDZBQOSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC001236526157 819518333 /nfs/dbraw/zinc/51/83/33/819518333.db2.gz CQOMJDIRRSKBHM-KRWDZBQOSA-N 2 2 290.451 3.355 20 0 CGADLP C1=CC[C@@H](C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649743 819561657 /nfs/dbraw/zinc/56/16/57/819561657.db2.gz ZKRRKWMPZZSNHI-NVXWUHKLSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@@H](C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649743 819561662 /nfs/dbraw/zinc/56/16/62/819561662.db2.gz ZKRRKWMPZZSNHI-NVXWUHKLSA-N 2 2 262.441 3.339 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001236682833 819570104 /nfs/dbraw/zinc/57/01/04/819570104.db2.gz XRADMZFBIKCUSY-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001236682833 819570106 /nfs/dbraw/zinc/57/01/06/819570106.db2.gz XRADMZFBIKCUSY-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(OC(C)C)c(C)c1 ZINC001236885005 819630658 /nfs/dbraw/zinc/63/06/58/819630658.db2.gz XPXCDJDVMXOFRY-INIZCTEOSA-N 2 2 278.440 3.260 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(OC(C)C)c(C)c1 ZINC001236885005 819630660 /nfs/dbraw/zinc/63/06/60/819630660.db2.gz XPXCDJDVMXOFRY-INIZCTEOSA-N 2 2 278.440 3.260 20 0 CGADLP CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236904288 819635443 /nfs/dbraw/zinc/63/54/43/819635443.db2.gz RYJQNFHRPQJVDR-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236904288 819635447 /nfs/dbraw/zinc/63/54/47/819635447.db2.gz RYJQNFHRPQJVDR-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP Clc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237143900 819676309 /nfs/dbraw/zinc/67/63/09/819676309.db2.gz HOVCIEGPMFRHQI-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237143900 819676312 /nfs/dbraw/zinc/67/63/12/819676312.db2.gz HOVCIEGPMFRHQI-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Cn1ccc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001237155869 819682443 /nfs/dbraw/zinc/68/24/43/819682443.db2.gz UFSZQKZRRRYION-SFHVURJKSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1ccc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001237155869 819682446 /nfs/dbraw/zinc/68/24/46/819682446.db2.gz UFSZQKZRRRYION-SFHVURJKSA-N 2 2 297.446 3.285 20 0 CGADLP c1cc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cs1 ZINC001237276221 819715109 /nfs/dbraw/zinc/71/51/09/819715109.db2.gz ULGGHNNAQJSJKC-UHFFFAOYSA-N 2 2 298.455 3.385 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@H](F)C3)cc21 ZINC001237881903 819869508 /nfs/dbraw/zinc/86/95/08/819869508.db2.gz ZUTZJYVMRQFLEZ-HNNXBMFYSA-N 2 2 274.383 3.232 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](F)C3)cc21 ZINC001237881903 819869521 /nfs/dbraw/zinc/86/95/21/819869521.db2.gz ZUTZJYVMRQFLEZ-HNNXBMFYSA-N 2 2 274.383 3.232 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001238110940 819935245 /nfs/dbraw/zinc/93/52/45/819935245.db2.gz PRSSOUBZEQFZIS-QGZVFWFLSA-N 2 2 278.359 3.066 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001238110940 819935250 /nfs/dbraw/zinc/93/52/50/819935250.db2.gz PRSSOUBZEQFZIS-QGZVFWFLSA-N 2 2 278.359 3.066 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cccc3c[nH+]cn32)cc1 ZINC001238112399 819939090 /nfs/dbraw/zinc/93/90/90/819939090.db2.gz DLFQGYUQQGCHHP-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP C[NH+](C)Cc1cncc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243658143 823477424 /nfs/dbraw/zinc/47/74/24/823477424.db2.gz DVKABCHELXPMKN-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC001239536169 820387990 /nfs/dbraw/zinc/38/79/90/820387990.db2.gz FZZZPHNZXCTSIW-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC001239536169 820387999 /nfs/dbraw/zinc/38/79/99/820387999.db2.gz FZZZPHNZXCTSIW-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(F)c2)C1 ZINC001239536347 820390270 /nfs/dbraw/zinc/39/02/70/820390270.db2.gz MQPLUFUTKKMOSZ-INIZCTEOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(F)c2)C1 ZINC001239536347 820390279 /nfs/dbraw/zinc/39/02/79/820390279.db2.gz MQPLUFUTKKMOSZ-INIZCTEOSA-N 2 2 270.351 3.026 20 0 CGADLP c1cn2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001240510357 821105538 /nfs/dbraw/zinc/10/55/38/821105538.db2.gz ITHOHUOOLUXYEA-MRXNPFEDSA-N 2 2 263.344 3.426 20 0 CGADLP CC(C)([NH3+])c1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240513189 821108159 /nfs/dbraw/zinc/10/81/59/821108159.db2.gz KQGUTXYDUNILTN-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP COc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1C ZINC001241033256 821508285 /nfs/dbraw/zinc/50/82/85/821508285.db2.gz JNJQTHMMNWZKPZ-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(N)cc[nH+]c2c1 ZINC001241250197 821672073 /nfs/dbraw/zinc/67/20/73/821672073.db2.gz HJMMILQWFQKXNW-UHFFFAOYSA-N 2 2 278.359 3.253 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241282280 821702343 /nfs/dbraw/zinc/70/23/43/821702343.db2.gz MNLYZUBYFFBCNM-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001241282280 821702349 /nfs/dbraw/zinc/70/23/49/821702349.db2.gz MNLYZUBYFFBCNM-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(N2CCCCC2)[nH+]cc1C1=CC[N@H+](C)CC1 ZINC001241319485 821729351 /nfs/dbraw/zinc/72/93/51/821729351.db2.gz KVBNGDTYPCFWDY-UHFFFAOYSA-N 2 2 271.408 3.099 20 0 CGADLP Cc1cc(N2CCCCC2)[nH+]cc1C1=CC[N@@H+](C)CC1 ZINC001241319485 821729357 /nfs/dbraw/zinc/72/93/57/821729357.db2.gz KVBNGDTYPCFWDY-UHFFFAOYSA-N 2 2 271.408 3.099 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC001341120335 936428656 /nfs/dbraw/zinc/42/86/56/936428656.db2.gz MAQRLMRFAGLUIW-GFCCVEGCSA-N 2 2 291.345 3.294 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC001341120335 936428657 /nfs/dbraw/zinc/42/86/57/936428657.db2.gz MAQRLMRFAGLUIW-GFCCVEGCSA-N 2 2 291.345 3.294 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccs1 ZINC000399019627 926754947 /nfs/dbraw/zinc/75/49/47/926754947.db2.gz DPUGDHFNQPRIFW-XQQFMLRXSA-N 2 2 252.427 3.319 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031195 926755199 /nfs/dbraw/zinc/75/51/99/926755199.db2.gz LXFNCNMTVABDEB-MISXGVKJSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC001307702897 927954892 /nfs/dbraw/zinc/95/48/92/927954892.db2.gz MDOUPTUJTLRACG-BQJWPVKWSA-N 2 2 266.473 3.379 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC001307702897 927954907 /nfs/dbraw/zinc/95/49/07/927954907.db2.gz MDOUPTUJTLRACG-BQJWPVKWSA-N 2 2 266.473 3.379 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929679 937238867 /nfs/dbraw/zinc/23/88/67/937238867.db2.gz GJCDAHGRUGSNMP-JYJNAYRXSA-N 2 2 252.446 3.131 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CCC)C2)c(C)c1 ZINC001461652307 937590406 /nfs/dbraw/zinc/59/04/06/937590406.db2.gz LPMPQGGLXQQGHV-QGZVFWFLSA-N 2 2 290.451 3.358 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CCC)C2)c(C)c1 ZINC001461652307 937590409 /nfs/dbraw/zinc/59/04/09/937590409.db2.gz LPMPQGGLXQQGHV-QGZVFWFLSA-N 2 2 290.451 3.358 20 0 CGADLP CCc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC001307166344 932923983 /nfs/dbraw/zinc/92/39/83/932923983.db2.gz RQPCKSSARMVLFL-HNNXBMFYSA-N 2 2 288.439 3.166 20 0 CGADLP CCc1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC001307166344 932923986 /nfs/dbraw/zinc/92/39/86/932923986.db2.gz RQPCKSSARMVLFL-HNNXBMFYSA-N 2 2 288.439 3.166 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001308264888 933085315 /nfs/dbraw/zinc/08/53/15/933085315.db2.gz UTYRIYWVPPKDMM-HOTGVXAUSA-N 2 2 288.435 3.017 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001308264888 933085319 /nfs/dbraw/zinc/08/53/19/933085319.db2.gz UTYRIYWVPPKDMM-HOTGVXAUSA-N 2 2 288.435 3.017 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001308291654 933089870 /nfs/dbraw/zinc/08/98/70/933089870.db2.gz CMVHNCXFIUHWFA-DOTOQJQBSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415558 933107558 /nfs/dbraw/zinc/10/75/58/933107558.db2.gz YGQGXYGANWYMHI-SQNIBIBYSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001308415558 933107562 /nfs/dbraw/zinc/10/75/62/933107562.db2.gz YGQGXYGANWYMHI-SQNIBIBYSA-N 2 2 296.499 3.028 20 0 CGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CCC(C)(C)C ZINC001308819813 933183272 /nfs/dbraw/zinc/18/32/72/933183272.db2.gz ICTCMJNKFKOTIY-UHFFFAOYSA-N 2 2 294.439 3.484 20 0 CGADLP Cc1c[nH+]c2ccccc2c1NCCCCn1cc[nH+]c1 ZINC001319897703 933954263 /nfs/dbraw/zinc/95/42/63/933954263.db2.gz DTKWLIZQYOLPEI-UHFFFAOYSA-N 2 2 280.375 3.054 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001331207812 935358814 /nfs/dbraw/zinc/35/88/14/935358814.db2.gz JMUITSSPQGXNMO-QGZVFWFLSA-N 2 2 285.366 3.347 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001473725659 937819458 /nfs/dbraw/zinc/81/94/58/937819458.db2.gz SZQQTLPRJPQJCH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001473725659 937819461 /nfs/dbraw/zinc/81/94/61/937819461.db2.gz SZQQTLPRJPQJCH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001473725659 937819462 /nfs/dbraw/zinc/81/94/62/937819462.db2.gz SZQQTLPRJPQJCH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001473725659 937819464 /nfs/dbraw/zinc/81/94/64/937819464.db2.gz SZQQTLPRJPQJCH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cn1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320795 937851114 /nfs/dbraw/zinc/85/11/14/937851114.db2.gz QKBSIYAYYHCPDV-WMZOPIPTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320795 937851116 /nfs/dbraw/zinc/85/11/16/937851116.db2.gz QKBSIYAYYHCPDV-WMZOPIPTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc2ccccc21 ZINC001474320795 937851118 /nfs/dbraw/zinc/85/11/18/937851118.db2.gz QKBSIYAYYHCPDV-WMZOPIPTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc2ccccc21 ZINC001474320795 937851120 /nfs/dbraw/zinc/85/11/20/937851120.db2.gz QKBSIYAYYHCPDV-WMZOPIPTSA-N 2 2 297.446 3.094 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC001474538526 937865724 /nfs/dbraw/zinc/86/57/24/937865724.db2.gz VREBVWFDJKKCEY-KSZLIROESA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC001474538526 937865726 /nfs/dbraw/zinc/86/57/26/937865726.db2.gz VREBVWFDJKKCEY-KSZLIROESA-N 2 2 296.499 3.028 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001474623316 937871373 /nfs/dbraw/zinc/87/13/73/937871373.db2.gz NKXLUFKPRHUIDL-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001474623316 937871375 /nfs/dbraw/zinc/87/13/75/937871375.db2.gz NKXLUFKPRHUIDL-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745512 937878404 /nfs/dbraw/zinc/87/84/04/937878404.db2.gz HQBCRCGPOYUBMB-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745512 937878406 /nfs/dbraw/zinc/87/84/06/937878406.db2.gz HQBCRCGPOYUBMB-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)CCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001474755587 937879433 /nfs/dbraw/zinc/87/94/33/937879433.db2.gz RWSDOOCGNVEDGJ-UHFFFAOYSA-N 2 2 263.429 3.426 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001548851810 938152614 /nfs/dbraw/zinc/15/26/14/938152614.db2.gz HRYMDLOXTWBTBN-UONOGXRCSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001548851810 938152615 /nfs/dbraw/zinc/15/26/15/938152615.db2.gz HRYMDLOXTWBTBN-UONOGXRCSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001549104778 938155287 /nfs/dbraw/zinc/15/52/87/938155287.db2.gz LSODIBQUIPQKDY-QGZVFWFLSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001549104778 938155288 /nfs/dbraw/zinc/15/52/88/938155288.db2.gz LSODIBQUIPQKDY-QGZVFWFLSA-N 2 2 295.430 3.288 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC001551378331 938180631 /nfs/dbraw/zinc/18/06/31/938180631.db2.gz OQXKKWJAHUOFHT-YQQAZPJKSA-N 2 2 284.428 3.340 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC001551378613 938180700 /nfs/dbraw/zinc/18/07/00/938180700.db2.gz RFCQUEOWWPLIHS-OTWHNJEPSA-N 2 2 296.414 3.361 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC001551377930 938180759 /nfs/dbraw/zinc/18/07/59/938180759.db2.gz KTOFKTOXUUWONH-OWCLPIDISA-N 2 2 299.443 3.043 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccc(F)c1 ZINC001551379270 938180843 /nfs/dbraw/zinc/18/08/43/938180843.db2.gz WEKNCBJRXWVGCF-GOPGUHFVSA-N 2 2 270.351 3.101 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001551403053 938181944 /nfs/dbraw/zinc/18/19/44/938181944.db2.gz QWTUOFNVGCKPDY-HOTGVXAUSA-N 2 2 288.341 3.339 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044100 938242389 /nfs/dbraw/zinc/24/23/89/938242389.db2.gz UMPRZOSKLVDUTH-IRXDYDNUSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1c(Cl)ccc2c1C[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC001560089399 938243665 /nfs/dbraw/zinc/24/36/65/938243665.db2.gz KKTGVKHCAUINRS-OAHLLOKOSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001560089399 938243666 /nfs/dbraw/zinc/24/36/66/938243666.db2.gz KKTGVKHCAUINRS-OAHLLOKOSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC001560089399 938243667 /nfs/dbraw/zinc/24/36/67/938243667.db2.gz KKTGVKHCAUINRS-OAHLLOKOSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC001560089399 938243668 /nfs/dbraw/zinc/24/36/68/938243668.db2.gz KKTGVKHCAUINRS-OAHLLOKOSA-N 2 2 292.854 3.491 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001560361355 938255343 /nfs/dbraw/zinc/25/53/43/938255343.db2.gz SZGYPAURLXFAMQ-HJOIGYKYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001560361355 938255345 /nfs/dbraw/zinc/25/53/45/938255345.db2.gz SZGYPAURLXFAMQ-HJOIGYKYSA-N 2 2 294.483 3.188 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001560860930 938280217 /nfs/dbraw/zinc/28/02/17/938280217.db2.gz ZWJHXBBSLPCUIL-DLBZAZTESA-N 2 2 272.436 3.180 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001560860930 938280218 /nfs/dbraw/zinc/28/02/18/938280218.db2.gz ZWJHXBBSLPCUIL-DLBZAZTESA-N 2 2 272.436 3.180 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001560935410 938284962 /nfs/dbraw/zinc/28/49/62/938284962.db2.gz WGSPTJLBVSBIFR-HZPDHXFCSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001560935410 938284964 /nfs/dbraw/zinc/28/49/64/938284964.db2.gz WGSPTJLBVSBIFR-HZPDHXFCSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001561043358 938291300 /nfs/dbraw/zinc/29/13/00/938291300.db2.gz WAVBVKXRQARUHA-INIZCTEOSA-N 2 2 274.452 3.420 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1 ZINC001561043358 938291301 /nfs/dbraw/zinc/29/13/01/938291301.db2.gz WAVBVKXRQARUHA-INIZCTEOSA-N 2 2 274.452 3.420 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCC[N@@H+]1C ZINC000337393660 214050557 /nfs/dbraw/zinc/05/05/57/214050557.db2.gz BGENIYQBPKDSGX-XYVMCAHJSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCC[N@H+]1C ZINC000337393660 214050559 /nfs/dbraw/zinc/05/05/59/214050559.db2.gz BGENIYQBPKDSGX-XYVMCAHJSA-N 2 2 287.451 3.180 20 0 CGADLP CCCc1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000621325704 349495383 /nfs/dbraw/zinc/49/53/83/349495383.db2.gz HOFNEKSUIKSECR-UHFFFAOYSA-N 2 2 263.410 3.077 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377737 349513113 /nfs/dbraw/zinc/51/31/13/349513113.db2.gz FHTZCOSSBLQHCB-KBMXLJTQSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377737 349513117 /nfs/dbraw/zinc/51/31/17/349513117.db2.gz FHTZCOSSBLQHCB-KBMXLJTQSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000337512206 214132675 /nfs/dbraw/zinc/13/26/75/214132675.db2.gz JQTAMYJNVRFGMQ-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000337512206 214132676 /nfs/dbraw/zinc/13/26/76/214132676.db2.gz JQTAMYJNVRFGMQ-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c[nH+]1 ZINC000337559105 214157087 /nfs/dbraw/zinc/15/70/87/214157087.db2.gz ZDHGZIZULZLQQH-GJZGRUSLSA-N 2 2 298.377 3.463 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489360 212165107 /nfs/dbraw/zinc/16/51/07/212165107.db2.gz ULYVQCMXFJOWPK-NSHDSACASA-N 2 2 282.790 3.368 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651675911 398267441 /nfs/dbraw/zinc/26/74/41/398267441.db2.gz IGHCWCHGZNOWEE-ZBFHGGJFSA-N 2 2 275.440 3.320 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782925 349585990 /nfs/dbraw/zinc/58/59/90/349585990.db2.gz UZDXZVFWXDQVHY-UXIGCNINSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782925 349585993 /nfs/dbraw/zinc/58/59/93/349585993.db2.gz UZDXZVFWXDQVHY-UXIGCNINSA-N 2 2 264.800 3.214 20 0 CGADLP c1c(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)[nH+]c2ccccn12 ZINC000337989790 214347743 /nfs/dbraw/zinc/34/77/43/214347743.db2.gz OMTNMPCFXJGYDB-HZPDHXFCSA-N 2 2 269.392 3.045 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337995574 214350763 /nfs/dbraw/zinc/35/07/63/214350763.db2.gz NPPCPQHIDLMMDN-CVEARBPZSA-N 2 2 273.424 3.442 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1c(C)noc1C)C1CCCCC1 ZINC000651909863 398304471 /nfs/dbraw/zinc/30/44/71/398304471.db2.gz ZWBUTRAMCYZBEE-UHFFFAOYSA-N 2 2 293.455 3.426 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1c(C)noc1C)C1CCCCC1 ZINC000651909863 398304473 /nfs/dbraw/zinc/30/44/73/398304473.db2.gz ZWBUTRAMCYZBEE-UHFFFAOYSA-N 2 2 293.455 3.426 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000337998155 214353430 /nfs/dbraw/zinc/35/34/30/214353430.db2.gz MNWARCZZHNFDFV-MSOLQXFVSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000337998155 214353433 /nfs/dbraw/zinc/35/34/33/214353433.db2.gz MNWARCZZHNFDFV-MSOLQXFVSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccncc1F ZINC000338009059 214356119 /nfs/dbraw/zinc/35/61/19/214356119.db2.gz BDOFECJPNZOHIT-GFCCVEGCSA-N 2 2 279.403 3.134 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000440693932 529436910 /nfs/dbraw/zinc/43/69/10/529436910.db2.gz NQAXXEHPMQEKJT-PMPSAXMXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000440693932 529436911 /nfs/dbraw/zinc/43/69/11/529436911.db2.gz NQAXXEHPMQEKJT-PMPSAXMXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000440693932 529436913 /nfs/dbraw/zinc/43/69/13/529436913.db2.gz NQAXXEHPMQEKJT-PMPSAXMXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000440693932 529436915 /nfs/dbraw/zinc/43/69/15/529436915.db2.gz NQAXXEHPMQEKJT-PMPSAXMXSA-N 2 2 270.436 3.321 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423501680 529611749 /nfs/dbraw/zinc/61/17/49/529611749.db2.gz LKMKVQMFCYCGCE-KSSFIOAISA-N 2 2 283.419 3.303 20 0 CGADLP Cc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088662 349757913 /nfs/dbraw/zinc/75/79/13/349757913.db2.gz YFJWUYFGYJEDHN-UHFFFAOYSA-N 2 2 282.378 3.062 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260726 529622729 /nfs/dbraw/zinc/62/27/29/529622729.db2.gz IGEBCGRCAHHCFK-CZUORRHYSA-N 2 2 275.440 3.202 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623335815 349780579 /nfs/dbraw/zinc/78/05/79/349780579.db2.gz FWLYCUZNCWUQHN-UHFFFAOYSA-N 2 2 290.785 3.296 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CCC1 ZINC000449172615 529614395 /nfs/dbraw/zinc/61/43/95/529614395.db2.gz VXJUTBQHHRIKTE-GJZGRUSLSA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368103991 529672864 /nfs/dbraw/zinc/67/28/64/529672864.db2.gz ZSQUZQDUDDLWEJ-KBPBESRZSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000368103991 529672867 /nfs/dbraw/zinc/67/28/67/529672867.db2.gz ZSQUZQDUDDLWEJ-KBPBESRZSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358411501 529673152 /nfs/dbraw/zinc/67/31/52/529673152.db2.gz ZAXGGINTAPZOEX-CQDKDKBSSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358411501 529673154 /nfs/dbraw/zinc/67/31/54/529673154.db2.gz ZAXGGINTAPZOEX-CQDKDKBSSA-N 2 2 266.816 3.331 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccco2)cn1 ZINC000126431044 187239268 /nfs/dbraw/zinc/23/92/68/187239268.db2.gz RWVNLRDGKUZZPT-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424374 349804469 /nfs/dbraw/zinc/80/44/69/349804469.db2.gz PAGWNGREHCBYBF-GXTWGEPZSA-N 2 2 276.449 3.296 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177179533 529708845 /nfs/dbraw/zinc/70/88/45/529708845.db2.gz PMTFMCIYZGXKFC-SUMWQHHRSA-N 2 2 260.425 3.240 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)[NH+](C)C)cc1 ZINC000449063594 529723694 /nfs/dbraw/zinc/72/36/94/529723694.db2.gz NABDEWMLLWHMJN-NONVJHHQSA-N 2 2 290.451 3.007 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131452 529799339 /nfs/dbraw/zinc/79/93/39/529799339.db2.gz AGBUSTUXMVDJJG-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131452 529799341 /nfs/dbraw/zinc/79/93/41/529799341.db2.gz AGBUSTUXMVDJJG-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131452 529799342 /nfs/dbraw/zinc/79/93/42/529799342.db2.gz AGBUSTUXMVDJJG-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131452 529799343 /nfs/dbraw/zinc/79/93/43/529799343.db2.gz AGBUSTUXMVDJJG-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2C2CCCCC2)n1C ZINC000425329367 529807546 /nfs/dbraw/zinc/80/75/46/529807546.db2.gz TZHXPBKLNSVSSJ-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2C2CCCCC2)n1C ZINC000425329367 529807548 /nfs/dbraw/zinc/80/75/48/529807548.db2.gz TZHXPBKLNSVSSJ-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000623615046 349849763 /nfs/dbraw/zinc/84/97/63/349849763.db2.gz MUSWSUFBMNMASX-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000623615046 349849765 /nfs/dbraw/zinc/84/97/65/349849765.db2.gz MUSWSUFBMNMASX-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623657086 349857700 /nfs/dbraw/zinc/85/77/00/349857700.db2.gz JJDHCMWSAIGWQF-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657086 349857701 /nfs/dbraw/zinc/85/77/01/349857701.db2.gz JJDHCMWSAIGWQF-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)n1C ZINC000623679368 349864474 /nfs/dbraw/zinc/86/44/74/349864474.db2.gz SWGAHAOXCHJVFE-JCNLHEQBSA-N 2 2 293.455 3.192 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623706098 349870372 /nfs/dbraw/zinc/87/03/72/349870372.db2.gz JDZKEDZEZUZBBN-HNNXBMFYSA-N 2 2 287.794 3.260 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000623878670 349903391 /nfs/dbraw/zinc/90/33/91/349903391.db2.gz NIRNMVAZQSLRJL-NJAFHUGGSA-N 2 2 290.451 3.145 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423228515 529978664 /nfs/dbraw/zinc/97/86/64/529978664.db2.gz ZXMTWMHWLGQDEF-NSHDSACASA-N 2 2 278.396 3.424 20 0 CGADLP C[NH2+]CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423226700 529979025 /nfs/dbraw/zinc/97/90/25/529979025.db2.gz RWHBKTKODIWCKW-CQSZACIVSA-N 2 2 252.377 3.112 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cccnc1 ZINC000358614322 529999685 /nfs/dbraw/zinc/99/96/85/529999685.db2.gz AXZBCWJSSQMIJN-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cccnc1 ZINC000358614322 529999688 /nfs/dbraw/zinc/99/96/88/529999688.db2.gz AXZBCWJSSQMIJN-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000040767758 344965837 /nfs/dbraw/zinc/96/58/37/344965837.db2.gz FDMPTCONZRQZTN-MRXNPFEDSA-N 2 2 290.451 3.092 20 0 CGADLP c1ccc(C[NH+](Cc2ccccc2)C[C@@H]2CCC[NH2+]2)cc1 ZINC000037390874 344950001 /nfs/dbraw/zinc/95/00/01/344950001.db2.gz MESCBUTUJMHCNT-IBGZPJMESA-N 2 2 280.415 3.441 20 0 CGADLP CC[NH+]1CCC(CNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000044526354 345012229 /nfs/dbraw/zinc/01/22/29/345012229.db2.gz ZVBXMNOYIQSHGW-UHFFFAOYSA-N 2 2 276.428 3.052 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000044535243 345012719 /nfs/dbraw/zinc/01/27/19/345012719.db2.gz CAXUKSUETXAKOX-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000044535243 345012721 /nfs/dbraw/zinc/01/27/21/345012721.db2.gz CAXUKSUETXAKOX-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000044534763 345012795 /nfs/dbraw/zinc/01/27/95/345012795.db2.gz WAZKJNPFSBUKFV-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000044534763 345012798 /nfs/dbraw/zinc/01/27/98/345012798.db2.gz WAZKJNPFSBUKFV-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000359465918 136472880 /nfs/dbraw/zinc/47/28/80/136472880.db2.gz LDNPAJXAYBFCAL-OAGGEKHMSA-N 2 2 273.424 3.232 20 0 CGADLP c1ccc(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188600 345243842 /nfs/dbraw/zinc/24/38/42/345243842.db2.gz QDELCNDZTPZUJM-ROUUACIJSA-N 2 2 272.436 3.226 20 0 CGADLP c1ccc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188600 345243846 /nfs/dbraw/zinc/24/38/46/345243846.db2.gz QDELCNDZTPZUJM-ROUUACIJSA-N 2 2 272.436 3.226 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000066813031 345307254 /nfs/dbraw/zinc/30/72/54/345307254.db2.gz KKLYYIBYOVPPCI-UHFFFAOYSA-N 2 2 295.430 3.430 20 0 CGADLP C[N@H+](Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000066813031 345307255 /nfs/dbraw/zinc/30/72/55/345307255.db2.gz KKLYYIBYOVPPCI-UHFFFAOYSA-N 2 2 295.430 3.430 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558812 232218204 /nfs/dbraw/zinc/21/82/04/232218204.db2.gz GVGVXLLPZZBFFR-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558812 232218207 /nfs/dbraw/zinc/21/82/07/232218207.db2.gz GVGVXLLPZZBFFR-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154607113 232219243 /nfs/dbraw/zinc/21/92/43/232219243.db2.gz KBUMVKPXWLGURE-WCQYABFASA-N 2 2 295.496 3.494 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154607113 232219247 /nfs/dbraw/zinc/21/92/47/232219247.db2.gz KBUMVKPXWLGURE-WCQYABFASA-N 2 2 295.496 3.494 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599537 232220160 /nfs/dbraw/zinc/22/01/60/232220160.db2.gz WGEFWGKUZJLNIQ-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599537 232220161 /nfs/dbraw/zinc/22/01/61/232220161.db2.gz WGEFWGKUZJLNIQ-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000157394365 232233444 /nfs/dbraw/zinc/23/34/44/232233444.db2.gz BGAKDMDEODQAQN-OAHLLOKOSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334425 345810952 /nfs/dbraw/zinc/81/09/52/345810952.db2.gz DWMSOSOKUSPIRR-WMZOPIPTSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334425 345810954 /nfs/dbraw/zinc/81/09/54/345810954.db2.gz DWMSOSOKUSPIRR-WMZOPIPTSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000090046808 345778343 /nfs/dbraw/zinc/77/83/43/345778343.db2.gz ODCDFHNGKABSNR-KBPBESRZSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1C ZINC000090047497 345779512 /nfs/dbraw/zinc/77/95/12/345779512.db2.gz KSYFWLZVWWXNPW-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1C ZINC000090048270 345779527 /nfs/dbraw/zinc/77/95/27/345779527.db2.gz FEBRVYBHQIRGTK-WBVHZDCISA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000090047734 345779566 /nfs/dbraw/zinc/77/95/66/345779566.db2.gz FUXFZLNBVYGEJY-FUHWJXTLSA-N 2 2 290.451 3.147 20 0 CGADLP CC(C)c1cc(NC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000090068101 345779983 /nfs/dbraw/zinc/77/99/83/345779983.db2.gz XHOYQNOTONHVCY-UHFFFAOYSA-N 2 2 276.428 3.230 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000092745314 345856315 /nfs/dbraw/zinc/85/63/15/345856315.db2.gz FYIACNFUMSCPLE-ZDUSSCGKSA-N 2 2 288.370 3.159 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093866028 345891162 /nfs/dbraw/zinc/89/11/62/345891162.db2.gz CZHCNBIKTIAXJO-COXVUDFISA-N 2 2 298.386 3.451 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093866028 345891167 /nfs/dbraw/zinc/89/11/67/345891167.db2.gz CZHCNBIKTIAXJO-COXVUDFISA-N 2 2 298.386 3.451 20 0 CGADLP CCCCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000129174822 346047124 /nfs/dbraw/zinc/04/71/24/346047124.db2.gz PCDHSGBNYZNFRF-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000129174822 346047132 /nfs/dbraw/zinc/04/71/32/346047132.db2.gz PCDHSGBNYZNFRF-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000212497110 346286843 /nfs/dbraw/zinc/28/68/43/346286843.db2.gz IERJTQQBSFKHBI-VBNZEHGJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1F ZINC000212497110 346286846 /nfs/dbraw/zinc/28/68/46/346286846.db2.gz IERJTQQBSFKHBI-VBNZEHGJSA-N 2 2 292.398 3.112 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000227956146 346312407 /nfs/dbraw/zinc/31/24/07/346312407.db2.gz MCKPYUJWCBDBSF-RYUDHWBXSA-N 2 2 264.438 3.025 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000227956146 346312409 /nfs/dbraw/zinc/31/24/09/346312409.db2.gz MCKPYUJWCBDBSF-RYUDHWBXSA-N 2 2 264.438 3.025 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000323969389 346490520 /nfs/dbraw/zinc/49/05/20/346490520.db2.gz ICLSBTKZMIHGPX-QGZVFWFLSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000390560144 346574555 /nfs/dbraw/zinc/57/45/55/346574555.db2.gz JVGJRPNIIITSHC-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390560144 346574556 /nfs/dbraw/zinc/57/45/56/346574556.db2.gz JVGJRPNIIITSHC-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)[nH+]c1 ZINC000400099908 346588684 /nfs/dbraw/zinc/58/86/84/346588684.db2.gz GYMNXDOGHQNJCC-JCYILVPMSA-N 2 2 299.462 3.466 20 0 CGADLP CSCC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000595047700 347268900 /nfs/dbraw/zinc/26/89/00/347268900.db2.gz FKRWGISTYABMPJ-NRXISQOPSA-N 2 2 284.513 3.371 20 0 CGADLP CSCC1CCC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000595047700 347268902 /nfs/dbraw/zinc/26/89/02/347268902.db2.gz FKRWGISTYABMPJ-NRXISQOPSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429685 215161477 /nfs/dbraw/zinc/16/14/77/215161477.db2.gz ZANPCLMZMXKIGM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429685 215161479 /nfs/dbraw/zinc/16/14/79/215161479.db2.gz ZANPCLMZMXKIGM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429685 215161480 /nfs/dbraw/zinc/16/14/80/215161480.db2.gz ZANPCLMZMXKIGM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429685 215161483 /nfs/dbraw/zinc/16/14/83/215161483.db2.gz ZANPCLMZMXKIGM-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Cl)C2)C1 ZINC000339433406 215167266 /nfs/dbraw/zinc/16/72/66/215167266.db2.gz QZFWXNQUIOQMQG-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3Cl)C2)C1 ZINC000339433406 215167267 /nfs/dbraw/zinc/16/72/67/215167267.db2.gz QZFWXNQUIOQMQG-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000339433406 215167269 /nfs/dbraw/zinc/16/72/69/215167269.db2.gz QZFWXNQUIOQMQG-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000339433406 215167272 /nfs/dbraw/zinc/16/72/72/215167272.db2.gz QZFWXNQUIOQMQG-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP CC(C)(C)C1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000339465007 215190392 /nfs/dbraw/zinc/19/03/92/215190392.db2.gz GKAKUYYGGHYRAW-UHFFFAOYSA-N 2 2 257.381 3.249 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358067592 233051818 /nfs/dbraw/zinc/05/18/18/233051818.db2.gz XNAAZICCQVBSAZ-IAQYHMDHSA-N 2 2 290.382 3.310 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358067592 233051822 /nfs/dbraw/zinc/05/18/22/233051822.db2.gz XNAAZICCQVBSAZ-IAQYHMDHSA-N 2 2 290.382 3.310 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624270268 350015559 /nfs/dbraw/zinc/01/55/59/350015559.db2.gz CRIQSVMZJGGJJR-YESZJQIVSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624270268 350015561 /nfs/dbraw/zinc/01/55/61/350015561.db2.gz CRIQSVMZJGGJJR-YESZJQIVSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000624271822 350015976 /nfs/dbraw/zinc/01/59/76/350015976.db2.gz GEEVCSXYBBCHHJ-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000624271822 350015980 /nfs/dbraw/zinc/01/59/80/350015980.db2.gz GEEVCSXYBBCHHJ-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@@H+]1C ZINC000271211099 191003033 /nfs/dbraw/zinc/00/30/33/191003033.db2.gz UQAUPVKQYZBQTL-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@H+]1C ZINC000271211099 191003036 /nfs/dbraw/zinc/00/30/36/191003036.db2.gz UQAUPVKQYZBQTL-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211099 191003039 /nfs/dbraw/zinc/00/30/39/191003039.db2.gz UQAUPVKQYZBQTL-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211099 191003041 /nfs/dbraw/zinc/00/30/41/191003041.db2.gz UQAUPVKQYZBQTL-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000271292499 191055768 /nfs/dbraw/zinc/05/57/68/191055768.db2.gz FFYKMNNAEKSIME-RBSFLKMASA-N 2 2 293.430 3.239 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCC2 ZINC000271311064 191066659 /nfs/dbraw/zinc/06/66/59/191066659.db2.gz HZIYSSARLUSIMO-HNNXBMFYSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCC2 ZINC000271311064 191066660 /nfs/dbraw/zinc/06/66/60/191066660.db2.gz HZIYSSARLUSIMO-HNNXBMFYSA-N 2 2 296.418 3.279 20 0 CGADLP COC1(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000359746024 233371649 /nfs/dbraw/zinc/37/16/49/233371649.db2.gz GRGZYLDGNBKLGK-UHFFFAOYSA-N 2 2 299.418 3.311 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000629526372 350702009 /nfs/dbraw/zinc/70/20/09/350702009.db2.gz RVQGZOMMGCBYIQ-FPMFFAJLSA-N 2 2 288.391 3.233 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000629526364 350702438 /nfs/dbraw/zinc/70/24/38/350702438.db2.gz RHZZDBZYWDRBJG-XHSDSOJGSA-N 2 2 258.409 3.139 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000629526385 350702532 /nfs/dbraw/zinc/70/25/32/350702532.db2.gz SEPHAPTZUYGKRE-LEWSCRJBSA-N 2 2 282.428 3.339 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C[NH2+]1 ZINC000629536629 350705534 /nfs/dbraw/zinc/70/55/34/350705534.db2.gz IDTQYNPGXOAESH-WDBKCZKBSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000629543965 350708388 /nfs/dbraw/zinc/70/83/88/350708388.db2.gz HEGZPKJVAUUVAQ-KYNGSXCRSA-N 2 2 298.405 3.450 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629543899 350708682 /nfs/dbraw/zinc/70/86/82/350708682.db2.gz FLBYVDKUGQJEQO-TYNCELHUSA-N 2 2 264.438 3.200 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545882 350709139 /nfs/dbraw/zinc/70/91/39/350709139.db2.gz SCJJWGQZZGQFBD-YWPYICTPSA-N 2 2 272.392 3.396 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629543981 350709506 /nfs/dbraw/zinc/70/95/06/350709506.db2.gz HTINPUICHYMMQJ-WBQNTZJQSA-N 2 2 258.409 3.211 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc12 ZINC000629548912 350710766 /nfs/dbraw/zinc/71/07/66/350710766.db2.gz SBJIORRYOMCQIF-GDZNZVCISA-N 2 2 284.403 3.249 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C[NH2+]1 ZINC000629393837 350687353 /nfs/dbraw/zinc/68/73/53/350687353.db2.gz CPFUZOPHCFZHLJ-DYVFJYSZSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C[NH2+]1 ZINC000629393517 350687363 /nfs/dbraw/zinc/68/73/63/350687363.db2.gz BIRSLNMYGXSQNK-YPMHNXCESA-N 2 2 260.406 3.131 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629394814 350688500 /nfs/dbraw/zinc/68/85/00/350688500.db2.gz MNRYBVCMBXEANX-GOEBONIOSA-N 2 2 276.424 3.096 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c2ccccc12 ZINC000629396366 350688607 /nfs/dbraw/zinc/68/86/07/350688607.db2.gz LEBCEEHZAUCPBH-UKRRQHHQSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C[NH2+]1 ZINC000629397634 350689504 /nfs/dbraw/zinc/68/95/04/350689504.db2.gz YIOWTJZSPKSEJZ-TZMCWYRMSA-N 2 2 287.432 3.040 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(OC(F)F)cc1C ZINC000629411154 350690132 /nfs/dbraw/zinc/69/01/32/350690132.db2.gz IHJQEDPASAWUCI-GXTWGEPZSA-N 2 2 298.377 3.135 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000629525025 350701384 /nfs/dbraw/zinc/70/13/84/350701384.db2.gz XVUWRRZBWUANCS-KWCYVHTRSA-N 2 2 258.365 3.224 20 0 CGADLP CC[NH+](CC)CCOc1ccc(-c2c[nH]c(C)[nH+]2)cc1 ZINC000629705136 350746659 /nfs/dbraw/zinc/74/66/59/350746659.db2.gz HIGQACRQLFQDJF-UHFFFAOYSA-N 2 2 273.380 3.106 20 0 CGADLP C[NH+](C)Cc1ccc(F)c(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053281 350802007 /nfs/dbraw/zinc/80/20/07/350802007.db2.gz PCBMPYXQZRGBGR-UHFFFAOYSA-N 2 2 273.355 3.087 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631035437 350932105 /nfs/dbraw/zinc/93/21/05/350932105.db2.gz JCJIPKKAINXSAJ-UHFFFAOYSA-N 2 2 278.783 3.270 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000631192998 350986599 /nfs/dbraw/zinc/98/65/99/350986599.db2.gz MFNGXZLGFXBCBG-CYBMUJFWSA-N 2 2 290.373 3.326 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000631645329 351103468 /nfs/dbraw/zinc/10/34/68/351103468.db2.gz ODYYYVPXQMLWPU-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000631645329 351103470 /nfs/dbraw/zinc/10/34/70/351103470.db2.gz ODYYYVPXQMLWPU-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)ccn1 ZINC000631621886 351093351 /nfs/dbraw/zinc/09/33/51/351093351.db2.gz NGVDAIYLIHKUSP-LSDHHAIUSA-N 2 2 284.407 3.032 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000631834469 351149419 /nfs/dbraw/zinc/14/94/19/351149419.db2.gz XWUTZSJBMIPEQJ-AWEZNQCLSA-N 2 2 287.382 3.077 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000631834469 351149423 /nfs/dbraw/zinc/14/94/23/351149423.db2.gz XWUTZSJBMIPEQJ-AWEZNQCLSA-N 2 2 287.382 3.077 20 0 CGADLP Cc1ccc(CN2CC[C@@H](C[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000634690451 351575248 /nfs/dbraw/zinc/57/52/48/351575248.db2.gz LQIIAEKHDNVMKK-HNNXBMFYSA-N 2 2 281.403 3.151 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634992513 351619736 /nfs/dbraw/zinc/61/97/36/351619736.db2.gz RMBSLLOOMVHIOR-LMDPOFIKSA-N 2 2 284.447 3.002 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634992513 351619741 /nfs/dbraw/zinc/61/97/41/351619741.db2.gz RMBSLLOOMVHIOR-LMDPOFIKSA-N 2 2 284.447 3.002 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000291588743 198044082 /nfs/dbraw/zinc/04/40/82/198044082.db2.gz POOQRBNWDHDIJG-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000291588743 198044084 /nfs/dbraw/zinc/04/40/84/198044084.db2.gz POOQRBNWDHDIJG-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000122321001 187026224 /nfs/dbraw/zinc/02/62/24/187026224.db2.gz BEJVGYGMPJWDDZ-WCQYABFASA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000122321001 187026225 /nfs/dbraw/zinc/02/62/25/187026225.db2.gz BEJVGYGMPJWDDZ-WCQYABFASA-N 2 2 296.361 3.003 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2CC=CCC2)c[nH+]1 ZINC000123699821 187105388 /nfs/dbraw/zinc/10/53/88/187105388.db2.gz HTWUQDORYUWXLG-OAHLLOKOSA-N 2 2 267.376 3.318 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124000130 187118292 /nfs/dbraw/zinc/11/82/92/187118292.db2.gz BBMXLCKBCBDZKB-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124000130 187118293 /nfs/dbraw/zinc/11/82/93/187118293.db2.gz BBMXLCKBCBDZKB-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124000130 187118294 /nfs/dbraw/zinc/11/82/94/187118294.db2.gz BBMXLCKBCBDZKB-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124000130 187118295 /nfs/dbraw/zinc/11/82/95/187118295.db2.gz BBMXLCKBCBDZKB-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000336480953 213351160 /nfs/dbraw/zinc/35/11/60/213351160.db2.gz VFZKANHDTGDLEP-WCQYABFASA-N 2 2 279.771 3.213 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000336480953 213351161 /nfs/dbraw/zinc/35/11/61/213351161.db2.gz VFZKANHDTGDLEP-WCQYABFASA-N 2 2 279.771 3.213 20 0 CGADLP CCc1cc(NCc2[nH+]ccn2C)c2ccccc2[nH+]1 ZINC000271619978 191244570 /nfs/dbraw/zinc/24/45/70/191244570.db2.gz LUBXJXWCTCJEOJ-UHFFFAOYSA-N 2 2 266.348 3.143 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162888 198187236 /nfs/dbraw/zinc/18/72/36/198187236.db2.gz OTMAWKZKHQFTFK-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162888 198187237 /nfs/dbraw/zinc/18/72/37/198187237.db2.gz OTMAWKZKHQFTFK-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162888 198187239 /nfs/dbraw/zinc/18/72/39/198187239.db2.gz OTMAWKZKHQFTFK-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292162888 198187241 /nfs/dbraw/zinc/18/72/41/198187241.db2.gz OTMAWKZKHQFTFK-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000366770757 234190818 /nfs/dbraw/zinc/19/08/18/234190818.db2.gz FYCSHTIPRVXOHO-MAUKXSAKSA-N 2 2 296.414 3.477 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435616 234214793 /nfs/dbraw/zinc/21/47/93/234214793.db2.gz CHEFVPTURYWNPM-CYBMUJFWSA-N 2 2 287.382 3.079 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292191222 198196349 /nfs/dbraw/zinc/19/63/49/198196349.db2.gz RIKXGBZQCCHFJE-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292191222 198196350 /nfs/dbraw/zinc/19/63/50/198196350.db2.gz RIKXGBZQCCHFJE-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292191222 198196352 /nfs/dbraw/zinc/19/63/52/198196352.db2.gz RIKXGBZQCCHFJE-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292191222 198196353 /nfs/dbraw/zinc/19/63/53/198196353.db2.gz RIKXGBZQCCHFJE-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367699658 234243720 /nfs/dbraw/zinc/24/37/20/234243720.db2.gz IFGSWHLUCUXGEG-AWEZNQCLSA-N 2 2 295.386 3.464 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367699658 234243723 /nfs/dbraw/zinc/24/37/23/234243723.db2.gz IFGSWHLUCUXGEG-AWEZNQCLSA-N 2 2 295.386 3.464 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100268 234281706 /nfs/dbraw/zinc/28/17/06/234281706.db2.gz HDJZWDWFBHSQER-OCCSQVGLSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100268 234281709 /nfs/dbraw/zinc/28/17/09/234281709.db2.gz HDJZWDWFBHSQER-OCCSQVGLSA-N 2 2 287.382 3.017 20 0 CGADLP CC1CC[NH+](Cc2ccc(NCc3[nH]cc[nH+]3)cc2)CC1 ZINC000156074878 188241836 /nfs/dbraw/zinc/24/18/36/188241836.db2.gz DSRQOUQCHOIKDN-UHFFFAOYSA-N 2 2 284.407 3.254 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000155711594 188223371 /nfs/dbraw/zinc/22/33/71/188223371.db2.gz RNAGLNSOUMEXHW-CYBMUJFWSA-N 2 2 263.410 3.322 20 0 CGADLP Clc1ccc(C[NH2+]CC[NH+]2CCCC2)c2ncccc12 ZINC000157411105 188315321 /nfs/dbraw/zinc/31/53/21/188315321.db2.gz RHCADSKKBSPMCR-UHFFFAOYSA-N 2 2 289.810 3.074 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000271685018 191275759 /nfs/dbraw/zinc/27/57/59/191275759.db2.gz CTDWHTOBASFUIH-SNVBAGLBSA-N 2 2 281.762 3.335 20 0 CGADLP COc1ccc([C@@H](C)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271744554 191301367 /nfs/dbraw/zinc/30/13/67/191301367.db2.gz SDXXQIBMJCYWPB-AWEZNQCLSA-N 2 2 299.418 3.401 20 0 CGADLP CSc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271753346 191306718 /nfs/dbraw/zinc/30/67/18/191306718.db2.gz ZCYXXQINEVLRBB-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CSc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271753346 191306719 /nfs/dbraw/zinc/30/67/19/191306719.db2.gz ZCYXXQINEVLRBB-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCSC1 ZINC000271779633 191321165 /nfs/dbraw/zinc/32/11/65/191321165.db2.gz VINSTJIIZVZWTK-SJORKVTESA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000271862753 191376025 /nfs/dbraw/zinc/37/60/25/191376025.db2.gz ULGKIDTVSIENSA-MLGOLLRUSA-N 2 2 273.355 3.078 20 0 CGADLP Cc1occc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000414260017 235374973 /nfs/dbraw/zinc/37/49/73/235374973.db2.gz HDDOQNXKPXZRGQ-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP Cc1occc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000414260017 235374975 /nfs/dbraw/zinc/37/49/75/235374975.db2.gz HDDOQNXKPXZRGQ-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP F[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000414288034 235379994 /nfs/dbraw/zinc/37/99/94/235379994.db2.gz PQITUPHGRRJTOP-CHWSQXEVSA-N 2 2 296.352 3.274 20 0 CGADLP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000414332005 235389228 /nfs/dbraw/zinc/38/92/28/235389228.db2.gz GFBJVQSZXTVBNR-RCCFBDPRSA-N 2 2 296.414 3.390 20 0 CGADLP c1coc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000414332005 235389230 /nfs/dbraw/zinc/38/92/30/235389230.db2.gz GFBJVQSZXTVBNR-RCCFBDPRSA-N 2 2 296.414 3.390 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340356179 215550465 /nfs/dbraw/zinc/55/04/65/215550465.db2.gz NZPGBBUIQDFKGU-SUMWQHHRSA-N 2 2 281.403 3.426 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414961365 235502779 /nfs/dbraw/zinc/50/27/79/235502779.db2.gz VRRSIAMQLVGYJF-FZMZJTMJSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000106868414 138355554 /nfs/dbraw/zinc/35/55/54/138355554.db2.gz QNQCIIKGRFNPDT-KQTLUZQSSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000106868414 138355555 /nfs/dbraw/zinc/35/55/55/138355555.db2.gz QNQCIIKGRFNPDT-KQTLUZQSSA-N 2 2 274.408 3.119 20 0 CGADLP CCC[N@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000111234698 138363969 /nfs/dbraw/zinc/36/39/69/138363969.db2.gz ZRJHNFVRXDEGGZ-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000111234698 138363970 /nfs/dbraw/zinc/36/39/70/138363970.db2.gz ZRJHNFVRXDEGGZ-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125103037 138379983 /nfs/dbraw/zinc/37/99/83/138379983.db2.gz OCVRFRWRZRMLNE-QWHCGFSZSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125103037 138379984 /nfs/dbraw/zinc/37/99/84/138379984.db2.gz OCVRFRWRZRMLNE-QWHCGFSZSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@H]([NH2+]CCc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126169411 138385055 /nfs/dbraw/zinc/38/50/55/138385055.db2.gz KANNKJZOWFWRGX-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP FCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000126931843 138388119 /nfs/dbraw/zinc/38/81/19/138388119.db2.gz DRVLQZAPSBMCPV-UHFFFAOYSA-N 2 2 284.806 3.254 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423188286 235990144 /nfs/dbraw/zinc/99/01/44/235990144.db2.gz LNBRONCQSUGQIO-QWHCGFSZSA-N 2 2 288.391 3.152 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423237590 236005449 /nfs/dbraw/zinc/00/54/49/236005449.db2.gz PZALLSXEQXIMBP-GXFFZTMASA-N 2 2 278.783 3.489 20 0 CGADLP CSCC1CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423239621 236006641 /nfs/dbraw/zinc/00/66/41/236006641.db2.gz BMJDFKUYCZNFBQ-BCLQGDPASA-N 2 2 278.465 3.198 20 0 CGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423243090 236007639 /nfs/dbraw/zinc/00/76/39/236007639.db2.gz MSAVTTKSSABDEG-PBHICJAKSA-N 2 2 298.434 3.259 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000423253596 236009511 /nfs/dbraw/zinc/00/95/11/236009511.db2.gz ZCDSDALBAJBXNQ-MSOLQXFVSA-N 2 2 266.388 3.354 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423332719 236042377 /nfs/dbraw/zinc/04/23/77/236042377.db2.gz QXNQBRAOIGNSHT-LLVKDONJSA-N 2 2 284.350 3.128 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1csc(Cl)c1 ZINC000423356003 236047823 /nfs/dbraw/zinc/04/78/23/236047823.db2.gz GHJKEXSPRHTRKE-QXEWZRGKSA-N 2 2 258.818 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc2ccccc2c1 ZINC000423356019 236048568 /nfs/dbraw/zinc/04/85/68/236048568.db2.gz GITBRPUMNFBOPZ-GLJUWKHASA-N 2 2 268.404 3.488 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc2ccccc2o1 ZINC000423373210 236054239 /nfs/dbraw/zinc/05/42/39/236054239.db2.gz WKLVXFZKQCVDDM-OBJOEFQTSA-N 2 2 258.365 3.081 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423431755 236070274 /nfs/dbraw/zinc/07/02/74/236070274.db2.gz AVETUPZFLWQCBB-CIUDSAMLSA-N 2 2 292.757 3.328 20 0 CGADLP Cc1cc(NC(=O)[C@H]([NH3+])C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423899814 236111029 /nfs/dbraw/zinc/11/10/29/236111029.db2.gz HKINSQJFRCDVFW-MRXNPFEDSA-N 2 2 299.374 3.104 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303362 237078261 /nfs/dbraw/zinc/07/82/61/237078261.db2.gz BBRUYTWQZZSJJA-MMQJMDILSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303362 237078269 /nfs/dbraw/zinc/07/82/69/237078269.db2.gz BBRUYTWQZZSJJA-MMQJMDILSA-N 2 2 288.410 3.144 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437103259 237248875 /nfs/dbraw/zinc/24/88/75/237248875.db2.gz JEAGWHDZFOSICD-AWEZNQCLSA-N 2 2 292.492 3.413 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000437118545 237256321 /nfs/dbraw/zinc/25/63/21/237256321.db2.gz WSCVLIHOSRDYAV-QZTJIDSGSA-N 2 2 286.463 3.472 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000297643717 200250833 /nfs/dbraw/zinc/25/08/33/200250833.db2.gz MULNLBKNVUAOPY-BCDXTJNWSA-N 2 2 295.430 3.373 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000297643717 200250834 /nfs/dbraw/zinc/25/08/34/200250834.db2.gz MULNLBKNVUAOPY-BCDXTJNWSA-N 2 2 295.430 3.373 20 0 CGADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297799235 200282398 /nfs/dbraw/zinc/28/23/98/200282398.db2.gz XGMNPSAJIYDLNA-QAPCUYQASA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297799235 200282400 /nfs/dbraw/zinc/28/24/00/200282400.db2.gz XGMNPSAJIYDLNA-QAPCUYQASA-N 2 2 283.419 3.436 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000177606453 189059282 /nfs/dbraw/zinc/05/92/82/189059282.db2.gz FWTGKOXQNCOHLC-AWEZNQCLSA-N 2 2 285.391 3.243 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000178254810 189101031 /nfs/dbraw/zinc/10/10/31/189101031.db2.gz GSUAZFURWFTRFZ-GFCCVEGCSA-N 2 2 293.842 3.260 20 0 CGADLP c1cn(CC[NH2+]C2CCC3(CCCCC3)CC2)c[nH+]1 ZINC000342102997 216219341 /nfs/dbraw/zinc/21/93/41/216219341.db2.gz TXJGSBDRYPKGKA-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000179354878 189187977 /nfs/dbraw/zinc/18/79/77/189187977.db2.gz PZEFEYXOHSTSGQ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000179354878 189187978 /nfs/dbraw/zinc/18/79/78/189187978.db2.gz PZEFEYXOHSTSGQ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000179354878 189187979 /nfs/dbraw/zinc/18/79/79/189187979.db2.gz PZEFEYXOHSTSGQ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000179354878 189187980 /nfs/dbraw/zinc/18/79/80/189187980.db2.gz PZEFEYXOHSTSGQ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000179666993 189211996 /nfs/dbraw/zinc/21/19/96/189211996.db2.gz PRPCIFPKSCQPSY-CQSZACIVSA-N 2 2 273.380 3.021 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000179600796 189206378 /nfs/dbraw/zinc/20/63/78/189206378.db2.gz LDZNTQKQHAVCAX-UHFFFAOYSA-N 2 2 263.772 3.061 20 0 CGADLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182616690 189329061 /nfs/dbraw/zinc/32/90/61/189329061.db2.gz CDSHMVNQLGUWGD-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182616690 189329062 /nfs/dbraw/zinc/32/90/62/189329062.db2.gz CDSHMVNQLGUWGD-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180250 189349292 /nfs/dbraw/zinc/34/92/92/189349292.db2.gz OIYGSVRVTIUQKH-IAGOWNOFSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180250 189349293 /nfs/dbraw/zinc/34/92/93/189349293.db2.gz OIYGSVRVTIUQKH-IAGOWNOFSA-N 2 2 283.419 3.460 20 0 CGADLP CCCC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301678392 201132932 /nfs/dbraw/zinc/13/29/32/201132932.db2.gz IMQQZPVPFQFKTI-UHFFFAOYSA-N 2 2 276.428 3.078 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221323 189350659 /nfs/dbraw/zinc/35/06/59/189350659.db2.gz OIXZJRVKWZBNHW-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221323 189350660 /nfs/dbraw/zinc/35/06/60/189350660.db2.gz OIXZJRVKWZBNHW-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449073898 239159471 /nfs/dbraw/zinc/15/94/71/239159471.db2.gz JNKCHCBDMDDXGM-UQPPLGOBSA-N 2 2 291.439 3.132 20 0 CGADLP c1c2cccnc2oc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000449127304 239193935 /nfs/dbraw/zinc/19/39/35/239193935.db2.gz WBTRVBUHZXZUHW-UHFFFAOYSA-N 2 2 296.374 3.205 20 0 CGADLP CCc1cc(NCCCCNc2cccc[nH+]2)nc(C)[nH+]1 ZINC000302070716 201332050 /nfs/dbraw/zinc/33/20/50/201332050.db2.gz YGNPFKIKKCGJLW-UHFFFAOYSA-N 2 2 285.395 3.047 20 0 CGADLP Cc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cs1 ZINC000449306358 239304472 /nfs/dbraw/zinc/30/44/72/239304472.db2.gz WHOBASAQNVDDTB-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000449345185 239333958 /nfs/dbraw/zinc/33/39/58/239333958.db2.gz UOJWBHPVXIENFL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1F ZINC000449345185 239333961 /nfs/dbraw/zinc/33/39/61/239333961.db2.gz UOJWBHPVXIENFL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1F ZINC000449345185 239333967 /nfs/dbraw/zinc/33/39/67/239333967.db2.gz UOJWBHPVXIENFL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1F ZINC000449345185 239333972 /nfs/dbraw/zinc/33/39/72/239333972.db2.gz UOJWBHPVXIENFL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccn2c(C[NH2+]CC(C)(C)c3ccccn3)c[nH+]c12 ZINC000449392928 239375927 /nfs/dbraw/zinc/37/59/27/239375927.db2.gz AGPFEIORYLVCTN-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120350621 370759450 /nfs/dbraw/zinc/75/94/50/370759450.db2.gz GUTCBWAMAVMAMT-UHFFFAOYSA-N 2 2 286.341 3.231 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000342661912 216458557 /nfs/dbraw/zinc/45/85/57/216458557.db2.gz HMDAYNCOLNGFQT-JLSDUUJJSA-N 2 2 299.418 3.064 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccnc1 ZINC000186329483 299343027 /nfs/dbraw/zinc/34/30/27/299343027.db2.gz GLKCEINOKHQPMZ-MPGHIAIKSA-N 2 2 283.419 3.424 20 0 CGADLP c1cn(Cc2ccccc2)c(Cn2c[nH+]c3c2CCCC3)[nH+]1 ZINC000451179879 240240242 /nfs/dbraw/zinc/24/02/42/240240242.db2.gz FIUCRPFNGDOUAQ-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451849392 240369707 /nfs/dbraw/zinc/36/97/07/240369707.db2.gz HKUPZDYRPZCBEE-OAHLLOKOSA-N 2 2 271.364 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422992116 299355631 /nfs/dbraw/zinc/35/56/31/299355631.db2.gz QRMIBFFSLVBMNG-VBNZEHGJSA-N 2 2 258.409 3.139 20 0 CGADLP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302549383 201478381 /nfs/dbraw/zinc/47/83/81/201478381.db2.gz PUGKQMFTHWKFSL-CQSZACIVSA-N 2 2 299.418 3.164 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000121305986 370850711 /nfs/dbraw/zinc/85/07/11/370850711.db2.gz KEJYCKMHCMEQTF-MJEQTWJJSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000121305986 370850715 /nfs/dbraw/zinc/85/07/15/370850715.db2.gz KEJYCKMHCMEQTF-MJEQTWJJSA-N 2 2 276.399 3.492 20 0 CGADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000459420897 242103101 /nfs/dbraw/zinc/10/31/01/242103101.db2.gz LJHGIQVNSKQUTA-HNNXBMFYSA-N 2 2 291.464 3.119 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1nc2c(s1)CCC2 ZINC000459640968 242159970 /nfs/dbraw/zinc/15/99/70/242159970.db2.gz AAAKSCJILXXIFC-NSHDSACASA-N 2 2 298.415 3.130 20 0 CGADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000459660909 242167586 /nfs/dbraw/zinc/16/75/86/242167586.db2.gz MABFPNIFBGGHRU-LSDHHAIUSA-N 2 2 263.429 3.157 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C3CCCC3)cc2)c1 ZINC000459672675 242173306 /nfs/dbraw/zinc/17/33/06/242173306.db2.gz XVNIJUQPRZUOAO-UHFFFAOYSA-N 2 2 283.419 3.410 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423024026 299375281 /nfs/dbraw/zinc/37/52/81/299375281.db2.gz IKGWJXVNUHWYSH-TUKIKUTGSA-N 2 2 294.826 3.284 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000480095461 243138096 /nfs/dbraw/zinc/13/80/96/243138096.db2.gz PEEHAJPOOHJVAM-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000480095461 243138099 /nfs/dbraw/zinc/13/80/99/243138099.db2.gz PEEHAJPOOHJVAM-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(C)c1 ZINC000481063581 243176343 /nfs/dbraw/zinc/17/63/43/243176343.db2.gz VQFYPEBBACDXIB-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(C)c1 ZINC000481063581 243176349 /nfs/dbraw/zinc/17/63/49/243176349.db2.gz VQFYPEBBACDXIB-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(C)c1 ZINC000481063581 243176352 /nfs/dbraw/zinc/17/63/52/243176352.db2.gz VQFYPEBBACDXIB-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(C)c1 ZINC000481063581 243176355 /nfs/dbraw/zinc/17/63/55/243176355.db2.gz VQFYPEBBACDXIB-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2c(C)c1 ZINC000482163310 243217635 /nfs/dbraw/zinc/21/76/35/243217635.db2.gz KJONLCXYXQGBKG-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2c(C)c1 ZINC000482163310 243217639 /nfs/dbraw/zinc/21/76/39/243217639.db2.gz KJONLCXYXQGBKG-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2c(C)c1 ZINC000482163310 243217641 /nfs/dbraw/zinc/21/76/41/243217641.db2.gz KJONLCXYXQGBKG-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2c(C)c1 ZINC000482163310 243217646 /nfs/dbraw/zinc/21/76/46/243217646.db2.gz KJONLCXYXQGBKG-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000482250467 243222511 /nfs/dbraw/zinc/22/25/11/243222511.db2.gz ZWZPUJDUPNSDDA-IRXDYDNUSA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000482250467 243222517 /nfs/dbraw/zinc/22/25/17/243222517.db2.gz ZWZPUJDUPNSDDA-IRXDYDNUSA-N 2 2 282.472 3.069 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH+](C)C)c2ccccc12 ZINC000482510768 243229321 /nfs/dbraw/zinc/22/93/21/243229321.db2.gz MRSKFXUHSKSCQF-KBPBESRZSA-N 2 2 286.419 3.449 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000482539556 243231098 /nfs/dbraw/zinc/23/10/98/243231098.db2.gz WVUQLIQMIUZNII-OWYHZJEWSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000482539556 243231104 /nfs/dbraw/zinc/23/11/04/243231104.db2.gz WVUQLIQMIUZNII-OWYHZJEWSA-N 2 2 286.463 3.328 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000123227605 370910205 /nfs/dbraw/zinc/91/02/05/370910205.db2.gz YQGXNXAPIZSTQA-BBRMVZONSA-N 2 2 260.425 3.339 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000123227605 370910210 /nfs/dbraw/zinc/91/02/10/370910210.db2.gz YQGXNXAPIZSTQA-BBRMVZONSA-N 2 2 260.425 3.339 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124217340 370921438 /nfs/dbraw/zinc/92/14/38/370921438.db2.gz OOEJGYDIFIKMKF-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020092030 368800633 /nfs/dbraw/zinc/80/06/33/368800633.db2.gz NFXGWFREBVOISJ-GXTWGEPZSA-N 2 2 266.454 3.500 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020092030 368800637 /nfs/dbraw/zinc/80/06/37/368800637.db2.gz NFXGWFREBVOISJ-GXTWGEPZSA-N 2 2 266.454 3.500 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cs1 ZINC000036915398 369038959 /nfs/dbraw/zinc/03/89/59/369038959.db2.gz WVUJIQXEZRIPLP-ZDUSSCGKSA-N 2 2 281.469 3.224 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140968 369068359 /nfs/dbraw/zinc/06/83/59/369068359.db2.gz RKWJIHAOCYMMIH-CQSZACIVSA-N 2 2 288.435 3.281 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037157162 369072370 /nfs/dbraw/zinc/07/23/70/369072370.db2.gz GXPSAIURVMYOIA-CABCVRRESA-N 2 2 257.381 3.239 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157350 369073253 /nfs/dbraw/zinc/07/32/53/369073253.db2.gz QKCYAUIXTAOQSO-KBPBESRZSA-N 2 2 273.380 3.021 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044684657 369264914 /nfs/dbraw/zinc/26/49/14/369264914.db2.gz YIFXPZAGBQECAG-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044684657 369264920 /nfs/dbraw/zinc/26/49/20/369264920.db2.gz YIFXPZAGBQECAG-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684906 369265461 /nfs/dbraw/zinc/26/54/61/369265461.db2.gz SOSAJGBRQHLMCG-BXUZGUMPSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684906 369265463 /nfs/dbraw/zinc/26/54/63/369265463.db2.gz SOSAJGBRQHLMCG-BXUZGUMPSA-N 2 2 264.800 3.227 20 0 CGADLP c1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000044683806 369265855 /nfs/dbraw/zinc/26/58/55/369265855.db2.gz WAVDHFZUOSRGPF-QGZVFWFLSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000044683806 369265861 /nfs/dbraw/zinc/26/58/61/369265861.db2.gz WAVDHFZUOSRGPF-QGZVFWFLSA-N 2 2 266.388 3.166 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2c1C ZINC000494413366 244288443 /nfs/dbraw/zinc/28/84/43/244288443.db2.gz SLEBQVCOFOALPM-AWEZNQCLSA-N 2 2 294.402 3.086 20 0 CGADLP CC1(C)C[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000045116824 369275855 /nfs/dbraw/zinc/27/58/55/369275855.db2.gz VGNRPUWFURZDQJ-HZPDHXFCSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000045116824 369275860 /nfs/dbraw/zinc/27/58/60/369275860.db2.gz VGNRPUWFURZDQJ-HZPDHXFCSA-N 2 2 258.409 3.039 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526046 369406655 /nfs/dbraw/zinc/40/66/55/369406655.db2.gz GEHFECLUXUTCIH-NSHDSACASA-N 2 2 252.789 3.085 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448168 369483587 /nfs/dbraw/zinc/48/35/87/369483587.db2.gz BSVWMYOSKCHNHU-HUUCEWRRSA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448168 369483592 /nfs/dbraw/zinc/48/35/92/369483592.db2.gz BSVWMYOSKCHNHU-HUUCEWRRSA-N 2 2 260.425 3.211 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129510917 370990226 /nfs/dbraw/zinc/99/02/26/370990226.db2.gz NYWULHFBTMQZCI-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129510917 370990232 /nfs/dbraw/zinc/99/02/32/370990232.db2.gz NYWULHFBTMQZCI-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP CC(C)(C)c1[nH+]c2ccccc2n1CC1CC[NH2+]CC1 ZINC000057865421 369548781 /nfs/dbraw/zinc/54/87/81/369548781.db2.gz RXRMIGBGDZULAU-UHFFFAOYSA-N 2 2 271.408 3.333 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000068691224 369746167 /nfs/dbraw/zinc/74/61/67/369746167.db2.gz YNDBAGCXCQFWRF-NWDGAFQWSA-N 2 2 286.404 3.232 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080987868 369993138 /nfs/dbraw/zinc/99/31/38/369993138.db2.gz OFJNZPKQXFOHGG-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080987868 369993146 /nfs/dbraw/zinc/99/31/46/369993146.db2.gz OFJNZPKQXFOHGG-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000090048970 370053105 /nfs/dbraw/zinc/05/31/05/370053105.db2.gz FWLMTZZHDHPGSO-NSHDSACASA-N 2 2 267.442 3.011 20 0 CGADLP C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(F)c1)C1C[NH2+]C1 ZINC000422873000 296154280 /nfs/dbraw/zinc/15/42/80/296154280.db2.gz JLSOQZOOCRLMDJ-ACJLOTCBSA-N 2 2 284.378 3.113 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000093597313 370145364 /nfs/dbraw/zinc/14/53/64/370145364.db2.gz OFSMXZVEVSZKAX-CQSZACIVSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000093597313 370145366 /nfs/dbraw/zinc/14/53/66/370145366.db2.gz OFSMXZVEVSZKAX-CQSZACIVSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093643790 370149468 /nfs/dbraw/zinc/14/94/68/370149468.db2.gz RZGRLIYNRWPKIW-QWHCGFSZSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093643790 370149470 /nfs/dbraw/zinc/14/94/70/370149470.db2.gz RZGRLIYNRWPKIW-QWHCGFSZSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000093643790 370149471 /nfs/dbraw/zinc/14/94/71/370149471.db2.gz RZGRLIYNRWPKIW-QWHCGFSZSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000093643790 370149473 /nfs/dbraw/zinc/14/94/73/370149473.db2.gz RZGRLIYNRWPKIW-QWHCGFSZSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093645147 370152298 /nfs/dbraw/zinc/15/22/98/370152298.db2.gz NGLMPMKJZWEQLF-IAGOWNOFSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093645147 370152301 /nfs/dbraw/zinc/15/23/01/370152301.db2.gz NGLMPMKJZWEQLF-IAGOWNOFSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093645147 370152304 /nfs/dbraw/zinc/15/23/04/370152304.db2.gz NGLMPMKJZWEQLF-IAGOWNOFSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093645147 370152308 /nfs/dbraw/zinc/15/23/08/370152308.db2.gz NGLMPMKJZWEQLF-IAGOWNOFSA-N 2 2 291.483 3.449 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644710 370152919 /nfs/dbraw/zinc/15/29/19/370152919.db2.gz PWHSTAMEZUBBHA-STQMWFEESA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644710 370152925 /nfs/dbraw/zinc/15/29/25/370152925.db2.gz PWHSTAMEZUBBHA-STQMWFEESA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644710 370152930 /nfs/dbraw/zinc/15/29/30/370152930.db2.gz PWHSTAMEZUBBHA-STQMWFEESA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644710 370152935 /nfs/dbraw/zinc/15/29/35/370152935.db2.gz PWHSTAMEZUBBHA-STQMWFEESA-N 2 2 295.496 3.355 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093645119 370153884 /nfs/dbraw/zinc/15/38/84/370153884.db2.gz MHZREMRFSSAQER-ZIAGYGMSSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093645119 370153887 /nfs/dbraw/zinc/15/38/87/370153887.db2.gz MHZREMRFSSAQER-ZIAGYGMSSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000093645119 370153890 /nfs/dbraw/zinc/15/38/90/370153890.db2.gz MHZREMRFSSAQER-ZIAGYGMSSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000093645119 370153894 /nfs/dbraw/zinc/15/38/94/370153894.db2.gz MHZREMRFSSAQER-ZIAGYGMSSA-N 2 2 295.496 3.256 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795812 370365709 /nfs/dbraw/zinc/36/57/09/370365709.db2.gz XSWRWMANTXCQJR-ZDUSSCGKSA-N 2 2 273.355 3.420 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000113458333 370474549 /nfs/dbraw/zinc/47/45/49/370474549.db2.gz ZHVQNQIHYWPOHC-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000113458333 370474551 /nfs/dbraw/zinc/47/45/51/370474551.db2.gz ZHVQNQIHYWPOHC-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000129608716 370995288 /nfs/dbraw/zinc/99/52/88/370995288.db2.gz RZLDIZAENGXBST-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000129608716 370995292 /nfs/dbraw/zinc/99/52/92/370995292.db2.gz RZLDIZAENGXBST-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000130322186 371024917 /nfs/dbraw/zinc/02/49/17/371024917.db2.gz NCHYUKIHLLBFLB-LSDHHAIUSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131701622 371123672 /nfs/dbraw/zinc/12/36/72/371123672.db2.gz IIXYVAOLEJOLQD-DYVFJYSZSA-N 2 2 286.350 3.435 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000133546609 371260519 /nfs/dbraw/zinc/26/05/19/371260519.db2.gz GVFKAFOVSWOWKO-ZDUSSCGKSA-N 2 2 292.452 3.464 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000133546609 371260521 /nfs/dbraw/zinc/26/05/21/371260521.db2.gz GVFKAFOVSWOWKO-ZDUSSCGKSA-N 2 2 292.452 3.464 20 0 CGADLP COCC[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000133837524 371283507 /nfs/dbraw/zinc/28/35/07/371283507.db2.gz VPGGSWWDYAKAKB-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000134735664 371361758 /nfs/dbraw/zinc/36/17/58/371361758.db2.gz BCTJFOBSVZIMLK-OAHLLOKOSA-N 2 2 258.409 3.135 20 0 CGADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000134735664 371361762 /nfs/dbraw/zinc/36/17/62/371361762.db2.gz BCTJFOBSVZIMLK-OAHLLOKOSA-N 2 2 258.409 3.135 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000136481295 371478110 /nfs/dbraw/zinc/47/81/10/371478110.db2.gz UXLUINNIPCVLHT-APWZRJJASA-N 2 2 297.446 3.025 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000136481295 371478113 /nfs/dbraw/zinc/47/81/13/371478113.db2.gz UXLUINNIPCVLHT-APWZRJJASA-N 2 2 297.446 3.025 20 0 CGADLP CCc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)o1 ZINC000150804419 371539982 /nfs/dbraw/zinc/53/99/82/371539982.db2.gz RLWGWGBSZBGHDQ-UHFFFAOYSA-N 2 2 297.402 3.451 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000150893388 371545691 /nfs/dbraw/zinc/54/56/91/371545691.db2.gz WEJAZTAQLZSVNM-QWHCGFSZSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000151117053 371571850 /nfs/dbraw/zinc/57/18/50/371571850.db2.gz VCNNDSVAOZKGNR-MRXNPFEDSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000421819092 371642545 /nfs/dbraw/zinc/64/25/45/371642545.db2.gz FBHWCTOQCNPLTO-GFCCVEGCSA-N 2 2 293.842 3.260 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000421825018 371647393 /nfs/dbraw/zinc/64/73/93/371647393.db2.gz LIFXWMYMFZPHKM-NEPJUHHUSA-N 2 2 284.831 3.339 20 0 CGADLP CC(C)COc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422558935 371750452 /nfs/dbraw/zinc/75/04/52/371750452.db2.gz BJVSMJTXFADQKS-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CCOc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422729847 371770558 /nfs/dbraw/zinc/77/05/58/371770558.db2.gz CTBZFVDYUQIBSD-DLBZAZTESA-N 2 2 282.387 3.320 20 0 CGADLP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422741358 371776847 /nfs/dbraw/zinc/77/68/47/371776847.db2.gz DIKRMNXEDMNSAF-SJLPKXTDSA-N 2 2 284.378 3.409 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757474 371786864 /nfs/dbraw/zinc/78/68/64/371786864.db2.gz DANLLLYWXDVGIA-OALUTQOASA-N 2 2 295.430 3.369 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337327902 214011071 /nfs/dbraw/zinc/01/10/71/214011071.db2.gz DNHREUONFGPSOQ-AEFFLSMTSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337327902 214011073 /nfs/dbraw/zinc/01/10/73/214011073.db2.gz DNHREUONFGPSOQ-AEFFLSMTSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000337340253 214017083 /nfs/dbraw/zinc/01/70/83/214017083.db2.gz PGRBJOJFAWXLLB-DOTOQJQBSA-N 2 2 278.440 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000422775093 371798460 /nfs/dbraw/zinc/79/84/60/371798460.db2.gz ZWRWTXHGZKLYLP-SCRDCRAPSA-N 2 2 258.365 3.224 20 0 CGADLP CCSCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337360202 214029076 /nfs/dbraw/zinc/02/90/76/214029076.db2.gz CTVPNGIOZWUXDJ-UHFFFAOYSA-N 2 2 298.418 3.136 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000422785060 371805896 /nfs/dbraw/zinc/80/58/96/371805896.db2.gz QQCANKIWIIUYCR-KGLIPLIRSA-N 2 2 297.240 3.199 20 0 CGADLP Cc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000289789234 371822200 /nfs/dbraw/zinc/82/22/00/371822200.db2.gz LVSXEKUGVDZXCT-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000289789234 371822204 /nfs/dbraw/zinc/82/22/04/371822204.db2.gz LVSXEKUGVDZXCT-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000289789234 371822211 /nfs/dbraw/zinc/82/22/11/371822211.db2.gz LVSXEKUGVDZXCT-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422813124 371825031 /nfs/dbraw/zinc/82/50/31/371825031.db2.gz XMTIKWVRJONWMP-HNAYVOBHSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])co2)cc1 ZINC000422812137 371825696 /nfs/dbraw/zinc/82/56/96/371825696.db2.gz PZLYYFGATQLQGD-IRXDYDNUSA-N 2 2 299.418 3.400 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(C)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422875851 371849840 /nfs/dbraw/zinc/84/98/40/371849840.db2.gz PPAOZJNLPFSJPN-KGLIPLIRSA-N 2 2 298.377 3.217 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422876839 371850378 /nfs/dbraw/zinc/85/03/78/371850378.db2.gz QSQBDBRHKCJOLB-MAUKXSAKSA-N 2 2 298.430 3.052 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154557703 371856057 /nfs/dbraw/zinc/85/60/57/371856057.db2.gz JKDZBACEZUNWOH-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154557703 371856063 /nfs/dbraw/zinc/85/60/63/371856063.db2.gz JKDZBACEZUNWOH-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1SC ZINC000154607338 371861255 /nfs/dbraw/zinc/86/12/55/371861255.db2.gz JQDUXMUXVYWYBM-OCCSQVGLSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1SC ZINC000154607338 371861262 /nfs/dbraw/zinc/86/12/62/371861262.db2.gz JQDUXMUXVYWYBM-OCCSQVGLSA-N 2 2 294.464 3.162 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422943112 371882553 /nfs/dbraw/zinc/88/25/53/371882553.db2.gz KDWUTOLPXHQSJR-KDOFPFPSSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000290210719 371935368 /nfs/dbraw/zinc/93/53/68/371935368.db2.gz QNNIDTXIYYWWGB-YJBOKZPZSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422949791 371888715 /nfs/dbraw/zinc/88/87/15/371888715.db2.gz WJZRIBJIEBSFBC-RISCZKNCSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H](C1CC1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000290055839 371890218 /nfs/dbraw/zinc/89/02/18/371890218.db2.gz PATGNXWIZBWDLM-OAHLLOKOSA-N 2 2 283.419 3.263 20 0 CGADLP C[C@H](C1CC1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000290055839 371890223 /nfs/dbraw/zinc/89/02/23/371890223.db2.gz PATGNXWIZBWDLM-OAHLLOKOSA-N 2 2 283.419 3.263 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000422979491 371898836 /nfs/dbraw/zinc/89/88/36/371898836.db2.gz MXDIDEBPFYGREO-IAGOWNOFSA-N 2 2 297.402 3.105 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000290088666 371899675 /nfs/dbraw/zinc/89/96/75/371899675.db2.gz ZKTMRXMOFZQIPG-CWRNSKLLSA-N 2 2 261.413 3.101 20 0 CGADLP CCN(CC)c1ccc(N[C@H](C)C2CC[NH+](C)CC2)c[nH+]1 ZINC000037003205 541861225 /nfs/dbraw/zinc/86/12/25/541861225.db2.gz BEEYKKPKHWHNCY-CQSZACIVSA-N 2 2 290.455 3.070 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1Cl ZINC000423037576 371928395 /nfs/dbraw/zinc/92/83/95/371928395.db2.gz MXPVIISULGGYPF-NSHDSACASA-N 2 2 275.783 3.307 20 0 CGADLP CCC[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000156087754 371960442 /nfs/dbraw/zinc/96/04/42/371960442.db2.gz FWIVEYRKNIUBPF-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000156087754 371960447 /nfs/dbraw/zinc/96/04/47/371960447.db2.gz FWIVEYRKNIUBPF-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@H](CC[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000290328814 371963883 /nfs/dbraw/zinc/96/38/83/371963883.db2.gz DOIXRDVRRDLXCF-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP C[C@H](CC[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000290328814 371963889 /nfs/dbraw/zinc/96/38/89/371963889.db2.gz DOIXRDVRRDLXCF-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037213874 541864408 /nfs/dbraw/zinc/86/44/08/541864408.db2.gz SRDHUSCXRNHJKN-SWLSCSKDSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037213874 541864410 /nfs/dbraw/zinc/86/44/10/541864410.db2.gz SRDHUSCXRNHJKN-SWLSCSKDSA-N 2 2 294.439 3.437 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423109658 371971978 /nfs/dbraw/zinc/97/19/78/371971978.db2.gz SUYYXSJWBLSIJT-ZIAGYGMSSA-N 2 2 282.428 3.297 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381858 371976729 /nfs/dbraw/zinc/97/67/29/371976729.db2.gz IDYLMWVODHUQCR-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381858 371976736 /nfs/dbraw/zinc/97/67/36/371976736.db2.gz IDYLMWVODHUQCR-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1F ZINC000290381858 371976743 /nfs/dbraw/zinc/97/67/43/371976743.db2.gz IDYLMWVODHUQCR-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000290381858 371976752 /nfs/dbraw/zinc/97/67/52/371976752.db2.gz IDYLMWVODHUQCR-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381863 371976794 /nfs/dbraw/zinc/97/67/94/371976794.db2.gz IDYLMWVODHUQCR-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381863 371976798 /nfs/dbraw/zinc/97/67/98/371976798.db2.gz IDYLMWVODHUQCR-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1F ZINC000290381863 371976808 /nfs/dbraw/zinc/97/68/08/371976808.db2.gz IDYLMWVODHUQCR-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000290381863 371976815 /nfs/dbraw/zinc/97/68/15/371976815.db2.gz IDYLMWVODHUQCR-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000290427101 371988103 /nfs/dbraw/zinc/98/81/03/371988103.db2.gz RJJRMRZGIDXQHV-ZWKOTPCHSA-N 2 2 290.451 3.363 20 0 CGADLP CC[C@@H]([NH2+]Cc1oc2ccccc2c1OC)[C@@H]1CCC[NH2+]1 ZINC000423068292 371945710 /nfs/dbraw/zinc/94/57/10/371945710.db2.gz JLMDNTXEOSIMFD-KGLIPLIRSA-N 2 2 288.391 3.062 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192110 372016930 /nfs/dbraw/zinc/01/69/30/372016930.db2.gz PJJGBDYLOLRCDF-CHWSQXEVSA-N 2 2 272.392 3.398 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc2c1 ZINC000423191711 372017540 /nfs/dbraw/zinc/01/75/40/372017540.db2.gz PAGQVHHYZOKFLQ-JSGCOSHPSA-N 2 2 258.365 3.144 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423195170 372019464 /nfs/dbraw/zinc/01/94/64/372019464.db2.gz SJVHYJYVHIEAHS-CRAIPNDOSA-N 2 2 288.435 3.268 20 0 CGADLP Fc1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423197458 372021397 /nfs/dbraw/zinc/02/13/97/372021397.db2.gz ZNASQZUMTZXHJD-OALUTQOASA-N 2 2 298.405 3.451 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2s1 ZINC000423197164 372021845 /nfs/dbraw/zinc/02/18/45/372021845.db2.gz YFQZODILRWAKBZ-DGCLKSJQSA-N 2 2 260.406 3.304 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197553 372021974 /nfs/dbraw/zinc/02/19/74/372021974.db2.gz ZVSWWMNFAWJMRE-GOEBONIOSA-N 2 2 278.465 3.145 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423198981 372023510 /nfs/dbraw/zinc/02/35/10/372023510.db2.gz IWZJUSZUXGNHKF-CQSZACIVSA-N 2 2 275.440 3.346 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423209615 372032782 /nfs/dbraw/zinc/03/27/82/372032782.db2.gz VHOOYUXVTZFGAN-AEFFLSMTSA-N 2 2 284.403 3.251 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423242863 372042041 /nfs/dbraw/zinc/04/20/41/372042041.db2.gz JNCLCOKUCVZVQE-CQSZACIVSA-N 2 2 274.433 3.478 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423245057 372042144 /nfs/dbraw/zinc/04/21/44/372042144.db2.gz IMXBQIOQYSBBFM-QZTJIDSGSA-N 2 2 282.387 3.059 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423285665 372048644 /nfs/dbraw/zinc/04/86/44/372048644.db2.gz ZMVCLVDJHDFERD-UONOGXRCSA-N 2 2 282.815 3.127 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423381524 372057782 /nfs/dbraw/zinc/05/77/82/372057782.db2.gz NOKXGORFRXJIKE-MFKMUULPSA-N 2 2 284.856 3.465 20 0 CGADLP c1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423177945 372006101 /nfs/dbraw/zinc/00/61/01/372006101.db2.gz BJDIPRJWQHMMFZ-SJORKVTESA-N 2 2 258.409 3.260 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423177172 372007352 /nfs/dbraw/zinc/00/73/52/372007352.db2.gz AOLSNNLLAUAJRM-CHWSQXEVSA-N 2 2 272.367 3.382 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180535 372008726 /nfs/dbraw/zinc/00/87/26/372008726.db2.gz FDGZZTJKTJFUGR-YPMHNXCESA-N 2 2 282.815 3.141 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCCC1 ZINC000423183058 372010967 /nfs/dbraw/zinc/01/09/67/372010967.db2.gz RBKSXAUEZHNEKT-AWEZNQCLSA-N 2 2 280.362 3.203 20 0 CGADLP COCC[C@H](C)[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291024174 372097889 /nfs/dbraw/zinc/09/78/89/372097889.db2.gz APRIHGTWUAYHQJ-LBPRGKRZSA-N 2 2 273.380 3.326 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000159010460 372098735 /nfs/dbraw/zinc/09/87/35/372098735.db2.gz KHOPGOUGVNTPOU-PWSUYJOCSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000159010460 372098740 /nfs/dbraw/zinc/09/87/40/372098740.db2.gz KHOPGOUGVNTPOU-PWSUYJOCSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671915 541867840 /nfs/dbraw/zinc/86/78/40/541867840.db2.gz NWYPHNMAYHBCIV-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671915 541867844 /nfs/dbraw/zinc/86/78/44/541867844.db2.gz NWYPHNMAYHBCIV-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CCc2cc[nH+]cc2C)C[C@@H]1OC ZINC000344284780 217132152 /nfs/dbraw/zinc/13/21/52/217132152.db2.gz GKQOCJLBBNMTAV-HOTGVXAUSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428877227 372276754 /nfs/dbraw/zinc/27/67/54/372276754.db2.gz UGVFOQATLLKHGI-SECBINFHSA-N 2 2 289.326 3.142 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@@H+]1C ZINC000344355438 217167269 /nfs/dbraw/zinc/16/72/69/217167269.db2.gz LMSMAFRLPDTMGB-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@H+]1C ZINC000344355438 217167272 /nfs/dbraw/zinc/16/72/72/217167272.db2.gz LMSMAFRLPDTMGB-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cscn1 ZINC000162331582 372387669 /nfs/dbraw/zinc/38/76/69/372387669.db2.gz HGNBDUXJFYPGOY-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cscn1 ZINC000162331582 372387672 /nfs/dbraw/zinc/38/76/72/372387672.db2.gz HGNBDUXJFYPGOY-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H](C1CC1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162320157 372388104 /nfs/dbraw/zinc/38/81/04/372388104.db2.gz PJUHEECPVZYZFO-HNNXBMFYSA-N 2 2 269.392 3.184 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162320157 372388110 /nfs/dbraw/zinc/38/81/10/372388110.db2.gz PJUHEECPVZYZFO-HNNXBMFYSA-N 2 2 269.392 3.184 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000162774005 372420705 /nfs/dbraw/zinc/42/07/05/372420705.db2.gz ILIOHYFAVMXCGS-JMSVASOKSA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000162774005 372420710 /nfs/dbraw/zinc/42/07/10/372420710.db2.gz ILIOHYFAVMXCGS-JMSVASOKSA-N 2 2 296.842 3.167 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cncc(F)c1 ZINC000162901791 372433542 /nfs/dbraw/zinc/43/35/42/372433542.db2.gz AOCPMYPHZDAKSD-ZDUSSCGKSA-N 2 2 288.370 3.159 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225160 372455494 /nfs/dbraw/zinc/45/54/94/372455494.db2.gz PKUOOMQZNULVJY-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225160 372455500 /nfs/dbraw/zinc/45/55/00/372455500.db2.gz PKUOOMQZNULVJY-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163690076 372487688 /nfs/dbraw/zinc/48/76/88/372487688.db2.gz RDMIUSPLMMCZJB-HOTGVXAUSA-N 2 2 290.451 3.043 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469542 217202961 /nfs/dbraw/zinc/20/29/61/217202961.db2.gz GNRKZLIYDINDHI-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469542 217202964 /nfs/dbraw/zinc/20/29/64/217202964.db2.gz GNRKZLIYDINDHI-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344996 372572472 /nfs/dbraw/zinc/57/24/72/372572472.db2.gz ILXSTSUIUYLRNC-FFSVYQOJSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344996 372572476 /nfs/dbraw/zinc/57/24/76/372572476.db2.gz ILXSTSUIUYLRNC-FFSVYQOJSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nccc2ccccc21 ZINC000353390999 220057501 /nfs/dbraw/zinc/05/75/01/220057501.db2.gz WLXXDXWGVJJVKS-CQSZACIVSA-N 2 2 280.375 3.172 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054492 372732479 /nfs/dbraw/zinc/73/24/79/372732479.db2.gz CZHCNBIKTIAXJO-XKQJLSEDSA-N 2 2 298.386 3.451 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054492 372732486 /nfs/dbraw/zinc/73/24/86/372732486.db2.gz CZHCNBIKTIAXJO-XKQJLSEDSA-N 2 2 298.386 3.451 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000344528872 217222082 /nfs/dbraw/zinc/22/20/82/217222082.db2.gz BCJNLNFURMGAPQ-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP CCCCc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435623502 372786678 /nfs/dbraw/zinc/78/66/78/372786678.db2.gz VMDIXCYZYGOCPV-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP CCCCc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435623502 372786679 /nfs/dbraw/zinc/78/66/79/372786679.db2.gz VMDIXCYZYGOCPV-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730197 372797116 /nfs/dbraw/zinc/79/71/16/372797116.db2.gz GKDJLWNSOLWWNO-MZGVZZPPSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730197 372797124 /nfs/dbraw/zinc/79/71/24/372797124.db2.gz GKDJLWNSOLWWNO-MZGVZZPPSA-N 2 2 278.827 3.126 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000435735659 372799161 /nfs/dbraw/zinc/79/91/61/372799161.db2.gz OXYBWLPKMZTKRK-ZFWWWQNUSA-N 2 2 290.476 3.166 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000435735659 372799168 /nfs/dbraw/zinc/79/91/68/372799168.db2.gz OXYBWLPKMZTKRK-ZFWWWQNUSA-N 2 2 290.476 3.166 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858241 284348163 /nfs/dbraw/zinc/34/81/63/284348163.db2.gz CSFWURSREOGHHG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858241 284348167 /nfs/dbraw/zinc/34/81/67/284348167.db2.gz CSFWURSREOGHHG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858241 284348172 /nfs/dbraw/zinc/34/81/72/284348172.db2.gz CSFWURSREOGHHG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858241 284348173 /nfs/dbraw/zinc/34/81/73/284348173.db2.gz CSFWURSREOGHHG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604044 217245905 /nfs/dbraw/zinc/24/59/05/217245905.db2.gz LJFARNLJAMCITP-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604044 217245908 /nfs/dbraw/zinc/24/59/08/217245908.db2.gz LJFARNLJAMCITP-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC(C)(C)CC[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000438071828 372867680 /nfs/dbraw/zinc/86/76/80/372867680.db2.gz KOMZCGXELKLDKB-UHFFFAOYSA-N 2 2 284.513 3.374 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000438087234 372873293 /nfs/dbraw/zinc/87/32/93/372873293.db2.gz WQFZNLLUSQCSLB-HUUCEWRRSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@@H+]1C ZINC000437782106 372857681 /nfs/dbraw/zinc/85/76/81/372857681.db2.gz YCYRRBRWKXCGIW-FVCCEPFGSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@H+]1C ZINC000437782106 372857691 /nfs/dbraw/zinc/85/76/91/372857691.db2.gz YCYRRBRWKXCGIW-FVCCEPFGSA-N 2 2 278.362 3.180 20 0 CGADLP CCC1(CC)C[N@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000344765390 217303136 /nfs/dbraw/zinc/30/31/36/217303136.db2.gz XSAUBVWIGMVQPQ-UHFFFAOYSA-N 2 2 289.448 3.442 20 0 CGADLP CCC1(CC)C[N@@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000344765390 217303139 /nfs/dbraw/zinc/30/31/39/217303139.db2.gz XSAUBVWIGMVQPQ-UHFFFAOYSA-N 2 2 289.448 3.442 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H](c2ccco2)C1 ZINC000299196719 373480529 /nfs/dbraw/zinc/48/05/29/373480529.db2.gz FFIMRQLACAUDPQ-TZMCWYRMSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H](c2ccco2)C1 ZINC000299196719 373480534 /nfs/dbraw/zinc/48/05/34/373480534.db2.gz FFIMRQLACAUDPQ-TZMCWYRMSA-N 2 2 271.364 3.230 20 0 CGADLP COc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000299006138 373445012 /nfs/dbraw/zinc/44/50/12/373445012.db2.gz DUNBKRKAOWSEIJ-QGZVFWFLSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000299006138 373445019 /nfs/dbraw/zinc/44/50/19/373445019.db2.gz DUNBKRKAOWSEIJ-QGZVFWFLSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cccc([C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000175663787 373500864 /nfs/dbraw/zinc/50/08/64/373500864.db2.gz RDHGZQJLMXUIRW-AWEZNQCLSA-N 2 2 285.391 3.290 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300411258 373629263 /nfs/dbraw/zinc/62/92/63/373629263.db2.gz MEWIDTPUZJJXDT-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300411258 373629270 /nfs/dbraw/zinc/62/92/70/373629270.db2.gz MEWIDTPUZJJXDT-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000300411786 373629529 /nfs/dbraw/zinc/62/95/29/373629529.db2.gz QCVRNDFPHPDXAI-CWRNSKLLSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000300411786 373629535 /nfs/dbraw/zinc/62/95/35/373629535.db2.gz QCVRNDFPHPDXAI-CWRNSKLLSA-N 2 2 252.446 3.274 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000176913403 373640570 /nfs/dbraw/zinc/64/05/70/373640570.db2.gz AFTBSOVPXVTVLY-UHFFFAOYSA-N 2 2 285.391 3.119 20 0 CGADLP C[C@H]([N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177219736 373666075 /nfs/dbraw/zinc/66/60/75/373666075.db2.gz KOTUAQMUARVXEA-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]([N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177219736 373666085 /nfs/dbraw/zinc/66/60/85/373666085.db2.gz KOTUAQMUARVXEA-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP CC[NH+](CC)Cc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000301231592 373700292 /nfs/dbraw/zinc/70/02/92/373700292.db2.gz HWGXYNJBNGVPRQ-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177935868 373726220 /nfs/dbraw/zinc/72/62/20/373726220.db2.gz BGXIBKAIBBUOQU-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccco1 ZINC000177936058 373727213 /nfs/dbraw/zinc/72/72/13/373727213.db2.gz FHYXNYABCUDHRY-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)n2c1 ZINC000449480864 373769284 /nfs/dbraw/zinc/76/92/84/373769284.db2.gz PLLZEONCCKRIRI-HNNXBMFYSA-N 2 2 299.418 3.082 20 0 CGADLP CC(C)(C)CC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301520239 373783040 /nfs/dbraw/zinc/78/30/40/373783040.db2.gz MZYXDYNYCXLRDM-UHFFFAOYSA-N 2 2 281.831 3.293 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000301653271 373793105 /nfs/dbraw/zinc/79/31/05/373793105.db2.gz RCLFGMVVQFZGJF-UHFFFAOYSA-N 2 2 273.424 3.091 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449761428 373890629 /nfs/dbraw/zinc/89/06/29/373890629.db2.gz XLQZTITWWPKOSN-QZTJIDSGSA-N 2 2 299.418 3.310 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N(C)CC[N@H+](C)C1CC1 ZINC000302751882 373952594 /nfs/dbraw/zinc/95/25/94/373952594.db2.gz HGCNQFREIWIKNX-UHFFFAOYSA-N 2 2 299.418 3.082 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N(C)CC[N@@H+](C)C1CC1 ZINC000302751882 373952598 /nfs/dbraw/zinc/95/25/98/373952598.db2.gz HGCNQFREIWIKNX-UHFFFAOYSA-N 2 2 299.418 3.082 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2C2CCCC2)[nH+]1 ZINC000179830617 373923324 /nfs/dbraw/zinc/92/33/24/373923324.db2.gz JNFQSJVXGAEWOP-INIZCTEOSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2C2CCCC2)[nH+]1 ZINC000179830617 373923333 /nfs/dbraw/zinc/92/33/33/373923333.db2.gz JNFQSJVXGAEWOP-INIZCTEOSA-N 2 2 269.392 3.489 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000450265085 374029003 /nfs/dbraw/zinc/02/90/03/374029003.db2.gz IEVOWBRPHVMUGQ-KRWDZBQOSA-N 2 2 262.441 3.437 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC000450265085 374029009 /nfs/dbraw/zinc/02/90/09/374029009.db2.gz IEVOWBRPHVMUGQ-KRWDZBQOSA-N 2 2 262.441 3.437 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659992 374032650 /nfs/dbraw/zinc/03/26/50/374032650.db2.gz PUHOEXZGHZYRPZ-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000181402077 374118524 /nfs/dbraw/zinc/11/85/24/374118524.db2.gz DTCCDTNPRZJDNQ-MPGHIAIKSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000181402077 374118529 /nfs/dbraw/zinc/11/85/29/374118529.db2.gz DTCCDTNPRZJDNQ-MPGHIAIKSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[NH+](C)C ZINC000310203629 374209858 /nfs/dbraw/zinc/20/98/58/374209858.db2.gz CICDMVBQLLQDON-SNVBAGLBSA-N 2 2 275.223 3.281 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000311140650 374233061 /nfs/dbraw/zinc/23/30/61/374233061.db2.gz GBXQBOURFMEFAR-MELADBBJSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000311140650 374233069 /nfs/dbraw/zinc/23/30/69/374233069.db2.gz GBXQBOURFMEFAR-MELADBBJSA-N 2 2 272.383 3.028 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000312170403 374272137 /nfs/dbraw/zinc/27/21/37/374272137.db2.gz OIUDPOMFCYPXGV-OAHLLOKOSA-N 2 2 275.440 3.322 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCCC3)CCC1 ZINC000328224906 374363320 /nfs/dbraw/zinc/36/33/20/374363320.db2.gz BEUXOUMPVATETR-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccn1C ZINC000183050977 374363829 /nfs/dbraw/zinc/36/38/29/374363829.db2.gz PWLCRAASZAOPDT-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263164 374378568 /nfs/dbraw/zinc/37/85/68/374378568.db2.gz UCNRGHBIDVOKAP-IOASZLSFSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263164 374378576 /nfs/dbraw/zinc/37/85/76/374378576.db2.gz UCNRGHBIDVOKAP-IOASZLSFSA-N 2 2 264.388 3.125 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183471817 374418342 /nfs/dbraw/zinc/41/83/42/374418342.db2.gz KYICZVAKFLQFAY-QGZVFWFLSA-N 2 2 283.419 3.380 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183471817 374418346 /nfs/dbraw/zinc/41/83/46/374418346.db2.gz KYICZVAKFLQFAY-QGZVFWFLSA-N 2 2 283.419 3.380 20 0 CGADLP Cn1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090188362 541957165 /nfs/dbraw/zinc/95/71/65/541957165.db2.gz ZPJPVZGLPCSJSC-SFHVURJKSA-N 2 2 297.446 3.168 20 0 CGADLP Cn1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090188362 541957167 /nfs/dbraw/zinc/95/71/67/541957167.db2.gz ZPJPVZGLPCSJSC-SFHVURJKSA-N 2 2 297.446 3.168 20 0 CGADLP CCSc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000185446452 374664387 /nfs/dbraw/zinc/66/43/87/374664387.db2.gz YYKKEXIYUBGFPA-UHFFFAOYSA-N 2 2 275.421 3.175 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522744 374819226 /nfs/dbraw/zinc/81/92/26/374819226.db2.gz XZLIANPPNJXNOQ-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522744 374819234 /nfs/dbraw/zinc/81/92/34/374819234.db2.gz XZLIANPPNJXNOQ-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000186926866 374939726 /nfs/dbraw/zinc/93/97/26/374939726.db2.gz DNDSFICUFQOUHV-OAHLLOKOSA-N 2 2 287.432 3.327 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000186980701 374949064 /nfs/dbraw/zinc/94/90/64/374949064.db2.gz OETRKFSZFISLLQ-DZGCQCFKSA-N 2 2 272.502 3.084 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000334686421 374975011 /nfs/dbraw/zinc/97/50/11/374975011.db2.gz MLVUJRXWNDYXGR-HIFRSBDPSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000334686421 374975012 /nfs/dbraw/zinc/97/50/12/374975012.db2.gz MLVUJRXWNDYXGR-HIFRSBDPSA-N 2 2 269.392 3.235 20 0 CGADLP CC(C)(C)CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000187651731 375064327 /nfs/dbraw/zinc/06/43/27/375064327.db2.gz IUCHURQCKGAGOK-UHFFFAOYSA-N 2 2 285.435 3.500 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000482245304 375169262 /nfs/dbraw/zinc/16/92/62/375169262.db2.gz PSWIPLWZWXLDDY-ZOBUZTSGSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000482245304 375169265 /nfs/dbraw/zinc/16/92/65/375169265.db2.gz PSWIPLWZWXLDDY-ZOBUZTSGSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@H+](C)CC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000474621462 375121537 /nfs/dbraw/zinc/12/15/37/375121537.db2.gz IERDRNDPCJSEQS-KRWDZBQOSA-N 2 2 262.441 3.358 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000474621462 375121539 /nfs/dbraw/zinc/12/15/39/375121539.db2.gz IERDRNDPCJSEQS-KRWDZBQOSA-N 2 2 262.441 3.358 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487319266 375228929 /nfs/dbraw/zinc/22/89/29/375228929.db2.gz MGIPOSPIBBNXLG-SKHCZCESSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000487319266 375228933 /nfs/dbraw/zinc/22/89/33/375228933.db2.gz MGIPOSPIBBNXLG-SKHCZCESSA-N 2 2 295.430 3.205 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])ccc2n1 ZINC000097862648 541994622 /nfs/dbraw/zinc/99/46/22/541994622.db2.gz FOAYLLNRTYSYBH-UGSOOPFHSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])ccc2n1 ZINC000097862648 541994628 /nfs/dbraw/zinc/99/46/28/541994628.db2.gz FOAYLLNRTYSYBH-UGSOOPFHSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000189066143 375317918 /nfs/dbraw/zinc/31/79/18/375317918.db2.gz ZFTKGDJQXCGVPR-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000189066143 375317923 /nfs/dbraw/zinc/31/79/23/375317923.db2.gz ZFTKGDJQXCGVPR-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066143 375317926 /nfs/dbraw/zinc/31/79/26/375317926.db2.gz ZFTKGDJQXCGVPR-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066143 375317931 /nfs/dbraw/zinc/31/79/31/375317931.db2.gz ZFTKGDJQXCGVPR-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571236 375332910 /nfs/dbraw/zinc/33/29/10/375332910.db2.gz BHSZHTNEYJDTLA-CZUORRHYSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571236 375332914 /nfs/dbraw/zinc/33/29/14/375332914.db2.gz BHSZHTNEYJDTLA-CZUORRHYSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)C[NH+](C)C ZINC000491596926 375336223 /nfs/dbraw/zinc/33/62/23/375336223.db2.gz PEPSTODJAUOGSK-VIFPVBQESA-N 2 2 293.213 3.420 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)n1 ZINC000335757502 375404238 /nfs/dbraw/zinc/40/42/38/375404238.db2.gz KGVZJFQZODNWCM-ZIAGYGMSSA-N 2 2 291.464 3.047 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)n1 ZINC000335757502 375404247 /nfs/dbraw/zinc/40/42/47/375404247.db2.gz KGVZJFQZODNWCM-ZIAGYGMSSA-N 2 2 291.464 3.047 20 0 CGADLP CC(C)OC1CC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000189556991 375411440 /nfs/dbraw/zinc/41/14/40/375411440.db2.gz FCUKBMOYANCEBX-FAEJEUNOSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC1CC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000189556991 375411446 /nfs/dbraw/zinc/41/14/46/375411446.db2.gz FCUKBMOYANCEBX-FAEJEUNOSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000494697910 375492105 /nfs/dbraw/zinc/49/21/05/375492105.db2.gz SEDRQIRTJCVLJU-JTDSTZFVSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000494697910 375492110 /nfs/dbraw/zinc/49/21/10/375492110.db2.gz SEDRQIRTJCVLJU-JTDSTZFVSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000495163376 375497851 /nfs/dbraw/zinc/49/78/51/375497851.db2.gz IUYHWRUYUGTOPO-FZKCQIBNSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000495163376 375497858 /nfs/dbraw/zinc/49/78/58/375497858.db2.gz IUYHWRUYUGTOPO-FZKCQIBNSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000495163376 375497870 /nfs/dbraw/zinc/49/78/70/375497870.db2.gz IUYHWRUYUGTOPO-FZKCQIBNSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000495163376 375497876 /nfs/dbraw/zinc/49/78/76/375497876.db2.gz IUYHWRUYUGTOPO-FZKCQIBNSA-N 2 2 282.497 3.077 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000190852000 375544651 /nfs/dbraw/zinc/54/46/51/375544651.db2.gz IOLHUJHLSCCUER-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000190852000 375544655 /nfs/dbraw/zinc/54/46/55/375544655.db2.gz IOLHUJHLSCCUER-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000336001095 375608469 /nfs/dbraw/zinc/60/84/69/375608469.db2.gz VDNYATLFWZBOSZ-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000336001095 375608478 /nfs/dbraw/zinc/60/84/78/375608478.db2.gz VDNYATLFWZBOSZ-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP CCOC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054998 375693565 /nfs/dbraw/zinc/69/35/65/375693565.db2.gz DKPFFMGITKCAQR-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP CCOC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054998 375693567 /nfs/dbraw/zinc/69/35/67/375693567.db2.gz DKPFFMGITKCAQR-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000336103694 375688962 /nfs/dbraw/zinc/68/89/62/375688962.db2.gz UDGFNUGDNMAFKP-GFCCVEGCSA-N 2 2 296.201 3.295 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C2CC2)n1-c1ccccc1 ZINC000122169767 542023094 /nfs/dbraw/zinc/02/30/94/542023094.db2.gz ZPVCMNAFOHLYHN-ZDUSSCGKSA-N 2 2 269.392 3.316 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000507472701 375705207 /nfs/dbraw/zinc/70/52/07/375705207.db2.gz RTJOFUCVLDWWTD-AWEZNQCLSA-N 2 2 294.402 3.185 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993024 542055288 /nfs/dbraw/zinc/05/52/88/542055288.db2.gz MMVSAQILCBHWIB-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993024 542055293 /nfs/dbraw/zinc/05/52/93/542055293.db2.gz MMVSAQILCBHWIB-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996981 376009113 /nfs/dbraw/zinc/00/91/13/376009113.db2.gz YVUYDPIYKKXRAD-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996981 376009126 /nfs/dbraw/zinc/00/91/26/376009126.db2.gz YVUYDPIYKKXRAD-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891372 376020661 /nfs/dbraw/zinc/02/06/61/376020661.db2.gz IMQYQMCLZSSIPZ-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891372 376020665 /nfs/dbraw/zinc/02/06/65/376020665.db2.gz IMQYQMCLZSSIPZ-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337162775 376107908 /nfs/dbraw/zinc/10/79/08/376107908.db2.gz WAJCLYOSSLFZAE-HOCLYGCPSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337162775 376107913 /nfs/dbraw/zinc/10/79/13/376107913.db2.gz WAJCLYOSSLFZAE-HOCLYGCPSA-N 2 2 262.397 3.217 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809060 376063849 /nfs/dbraw/zinc/06/38/49/376063849.db2.gz DMTWIMIUUPIMMW-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809060 376063852 /nfs/dbraw/zinc/06/38/52/376063852.db2.gz DMTWIMIUUPIMMW-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809060 376063856 /nfs/dbraw/zinc/06/38/56/376063856.db2.gz DMTWIMIUUPIMMW-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809060 376063860 /nfs/dbraw/zinc/06/38/60/376063860.db2.gz DMTWIMIUUPIMMW-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000221791044 376222104 /nfs/dbraw/zinc/22/21/04/376222104.db2.gz OGVLQNQGCQYBLB-DZGCQCFKSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000221791044 376222107 /nfs/dbraw/zinc/22/21/07/376222107.db2.gz OGVLQNQGCQYBLB-DZGCQCFKSA-N 2 2 264.413 3.223 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000222006145 376227817 /nfs/dbraw/zinc/22/78/17/376227817.db2.gz CADIXQQECCTTJA-HNNXBMFYSA-N 2 2 278.415 3.078 20 0 CGADLP CCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000222204721 376231951 /nfs/dbraw/zinc/23/19/51/376231951.db2.gz OOLQTFBJIKEXAD-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000222204721 376231957 /nfs/dbraw/zinc/23/19/57/376231957.db2.gz OOLQTFBJIKEXAD-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554450 376247768 /nfs/dbraw/zinc/24/77/68/376247768.db2.gz TUZOKYAULDBNBI-BLLLJJGKSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554450 376247774 /nfs/dbraw/zinc/24/77/74/376247774.db2.gz TUZOKYAULDBNBI-BLLLJJGKSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+]1CCC(C)CC1 ZINC000337990891 376250678 /nfs/dbraw/zinc/25/06/78/376250678.db2.gz FUMYQIBBICGERJ-DJIMGWMZSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1cnc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000538954856 376281659 /nfs/dbraw/zinc/28/16/59/376281659.db2.gz UVQQXOUTZVIYBC-ZDUSSCGKSA-N 2 2 286.379 3.016 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000223753809 376261902 /nfs/dbraw/zinc/26/19/02/376261902.db2.gz NUJWXJYKIRJXFQ-OUCADQQQSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000223753809 376261905 /nfs/dbraw/zinc/26/19/05/376261905.db2.gz NUJWXJYKIRJXFQ-OUCADQQQSA-N 2 2 278.465 3.202 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000338182387 376275599 /nfs/dbraw/zinc/27/55/99/376275599.db2.gz MXYPFVUQAMEGPM-AWEZNQCLSA-N 2 2 282.378 3.130 20 0 CGADLP CC(C)c1cc(N(C)CCC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000539394230 376307705 /nfs/dbraw/zinc/30/77/05/376307705.db2.gz BFERJIMZLBWMCC-UHFFFAOYSA-N 2 2 278.444 3.111 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCc1ccccc1)C1CC1 ZINC000226317909 376351208 /nfs/dbraw/zinc/35/12/08/376351208.db2.gz IBFXISMCQIZIRK-OAHLLOKOSA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccccc1)C1CC1 ZINC000226317909 376351214 /nfs/dbraw/zinc/35/12/14/376351214.db2.gz IBFXISMCQIZIRK-OAHLLOKOSA-N 2 2 260.425 3.082 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000540317325 376370083 /nfs/dbraw/zinc/37/00/83/376370083.db2.gz MILHHXJQDSWFGY-RDTXWAMCSA-N 2 2 288.435 3.078 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000540317325 376370088 /nfs/dbraw/zinc/37/00/88/376370088.db2.gz MILHHXJQDSWFGY-RDTXWAMCSA-N 2 2 288.435 3.078 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000541589460 376464106 /nfs/dbraw/zinc/46/41/06/376464106.db2.gz VVAFZAUXWCLROT-MRXNPFEDSA-N 2 2 262.441 3.187 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000541589460 376464112 /nfs/dbraw/zinc/46/41/12/376464112.db2.gz VVAFZAUXWCLROT-MRXNPFEDSA-N 2 2 262.441 3.187 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000542166014 376515604 /nfs/dbraw/zinc/51/56/04/376515604.db2.gz DYQNWHQZSPGFPJ-FMKPAKJESA-N 2 2 289.448 3.459 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000542166014 376515613 /nfs/dbraw/zinc/51/56/13/376515613.db2.gz DYQNWHQZSPGFPJ-FMKPAKJESA-N 2 2 289.448 3.459 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000134385544 542083565 /nfs/dbraw/zinc/08/35/65/542083565.db2.gz MJBOVZQMQZFVFV-UHFFFAOYSA-N 2 2 287.451 3.277 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235212877 376634412 /nfs/dbraw/zinc/63/44/12/376634412.db2.gz MNOMRGGRYROSLF-ZWNOBZJWSA-N 2 2 272.314 3.108 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000543994797 376692539 /nfs/dbraw/zinc/69/25/39/376692539.db2.gz ZGXVKNMQNQDYTI-ODIFPOPNSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000543994797 376692549 /nfs/dbraw/zinc/69/25/49/376692549.db2.gz ZGXVKNMQNQDYTI-ODIFPOPNSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccco3)[nH+]c12 ZINC000156330063 542128230 /nfs/dbraw/zinc/12/82/30/542128230.db2.gz GHEGMPKWEQJTIU-CYBMUJFWSA-N 2 2 269.348 3.129 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000245542555 376847859 /nfs/dbraw/zinc/84/78/59/376847859.db2.gz PZLLMYRPWJSBPK-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000245542555 376847862 /nfs/dbraw/zinc/84/78/62/376847862.db2.gz PZLLMYRPWJSBPK-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000245542555 376847863 /nfs/dbraw/zinc/84/78/63/376847863.db2.gz PZLLMYRPWJSBPK-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000245542555 376847864 /nfs/dbraw/zinc/84/78/64/376847864.db2.gz PZLLMYRPWJSBPK-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000557278385 376928513 /nfs/dbraw/zinc/92/85/13/376928513.db2.gz XLLPMXJWIYYLAG-CSQLCUNESA-N 2 2 286.463 3.499 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000557278385 376928515 /nfs/dbraw/zinc/92/85/15/376928515.db2.gz XLLPMXJWIYYLAG-CSQLCUNESA-N 2 2 286.463 3.499 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+]1CCCC[C@H]1C ZINC000558696754 377032717 /nfs/dbraw/zinc/03/27/17/377032717.db2.gz BLXXJBDTTCGFSH-IBEHDNSVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+]1CCCC[C@H]1C ZINC000558696754 377032729 /nfs/dbraw/zinc/03/27/29/377032729.db2.gz BLXXJBDTTCGFSH-IBEHDNSVSA-N 2 2 250.430 3.028 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246212172 376988652 /nfs/dbraw/zinc/98/86/52/376988652.db2.gz PHMCCRSYZIFPHZ-SWLSCSKDSA-N 2 2 266.816 3.160 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246212172 376988660 /nfs/dbraw/zinc/98/86/60/376988660.db2.gz PHMCCRSYZIFPHZ-SWLSCSKDSA-N 2 2 266.816 3.160 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000558254578 376988681 /nfs/dbraw/zinc/98/86/81/376988681.db2.gz JLSSVKLHAQOADZ-IIDMSEBBSA-N 2 2 290.451 3.117 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000558254578 376988689 /nfs/dbraw/zinc/98/86/89/376988689.db2.gz JLSSVKLHAQOADZ-IIDMSEBBSA-N 2 2 290.451 3.117 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000246948480 377125886 /nfs/dbraw/zinc/12/58/86/377125886.db2.gz ICZNCEVWLGVXFS-WMLDXEAASA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000246948480 377125895 /nfs/dbraw/zinc/12/58/95/377125895.db2.gz ICZNCEVWLGVXFS-WMLDXEAASA-N 2 2 299.418 3.162 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)no1 ZINC000340470617 377080063 /nfs/dbraw/zinc/08/00/63/377080063.db2.gz PDWZITFSZCSLPQ-CQSZACIVSA-N 2 2 279.428 3.288 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)no1 ZINC000340470617 377080070 /nfs/dbraw/zinc/08/00/70/377080070.db2.gz PDWZITFSZCSLPQ-CQSZACIVSA-N 2 2 279.428 3.288 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000560263062 377135009 /nfs/dbraw/zinc/13/50/09/377135009.db2.gz VUZSPELTJBOFTM-RANZSIQMSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247338792 377196087 /nfs/dbraw/zinc/19/60/87/377196087.db2.gz JKDFCMQPMWRKGG-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247338792 377196092 /nfs/dbraw/zinc/19/60/92/377196092.db2.gz JKDFCMQPMWRKGG-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000561353545 377222166 /nfs/dbraw/zinc/22/21/66/377222166.db2.gz GFXNLPXLBBWCRJ-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000561353545 377222172 /nfs/dbraw/zinc/22/21/72/377222172.db2.gz GFXNLPXLBBWCRJ-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP CCC[NH+]1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000561108484 377206285 /nfs/dbraw/zinc/20/62/85/377206285.db2.gz XQODFCMEBPOZSV-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1c(F)cccc1F ZINC000341282243 377487799 /nfs/dbraw/zinc/48/77/99/377487799.db2.gz ICFLJVANNJFHLG-OLZOCXBDSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1c(F)cccc1F ZINC000341282243 377487804 /nfs/dbraw/zinc/48/78/04/377487804.db2.gz ICFLJVANNJFHLG-OLZOCXBDSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000166711071 542174560 /nfs/dbraw/zinc/17/45/60/542174560.db2.gz LLZMCLOUKDWFEF-RRFJBIMHSA-N 2 2 291.464 3.119 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000166711071 542174563 /nfs/dbraw/zinc/17/45/63/542174563.db2.gz LLZMCLOUKDWFEF-RRFJBIMHSA-N 2 2 291.464 3.119 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)c1 ZINC000313246870 249090173 /nfs/dbraw/zinc/09/01/73/249090173.db2.gz AUOWVZGKEFXGPH-UHFFFAOYSA-N 2 2 289.810 3.152 20 0 CGADLP CCCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313311572 249091251 /nfs/dbraw/zinc/09/12/51/249091251.db2.gz XOAHPBNWJRYZKL-QGZVFWFLSA-N 2 2 271.408 3.484 20 0 CGADLP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1c1ccccc1 ZINC000469987878 249165203 /nfs/dbraw/zinc/16/52/03/249165203.db2.gz XOUWPGFYOAQDTF-GDBMZVCRSA-N 2 2 260.425 3.239 20 0 CGADLP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1c1ccccc1 ZINC000469987878 249165205 /nfs/dbraw/zinc/16/52/05/249165205.db2.gz XOUWPGFYOAQDTF-GDBMZVCRSA-N 2 2 260.425 3.239 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449018 377568993 /nfs/dbraw/zinc/56/89/93/377568993.db2.gz ANQYCKVZUGSUFY-YHOLWWCESA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449018 377568999 /nfs/dbraw/zinc/56/89/99/377568999.db2.gz ANQYCKVZUGSUFY-YHOLWWCESA-N 2 2 272.436 3.171 20 0 CGADLP C[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049185 377572477 /nfs/dbraw/zinc/57/24/77/377572477.db2.gz ADNWSAXHDOVTPT-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049185 377572483 /nfs/dbraw/zinc/57/24/83/377572483.db2.gz ADNWSAXHDOVTPT-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000516398016 249233264 /nfs/dbraw/zinc/23/32/64/249233264.db2.gz SJIKGABPDOOTGY-CQSZACIVSA-N 2 2 284.488 3.290 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CC(C)(C)C)[NH+](C)C)cc1 ZINC000517525744 249267002 /nfs/dbraw/zinc/26/70/02/249267002.db2.gz QTJUOTLUSKGMPA-MRXNPFEDSA-N 2 2 262.441 3.487 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251700258 377596130 /nfs/dbraw/zinc/59/61/30/377596130.db2.gz NHLZYNTZLAQEBH-BNOWGMLFSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251700258 377596137 /nfs/dbraw/zinc/59/61/37/377596137.db2.gz NHLZYNTZLAQEBH-BNOWGMLFSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251832895 377600770 /nfs/dbraw/zinc/60/07/70/377600770.db2.gz PSGSWUFLFTZNEU-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251832895 377600776 /nfs/dbraw/zinc/60/07/76/377600776.db2.gz PSGSWUFLFTZNEU-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341761774 377616423 /nfs/dbraw/zinc/61/64/23/377616423.db2.gz SEDFBHWOGARSDV-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341761774 377616428 /nfs/dbraw/zinc/61/64/28/377616428.db2.gz SEDFBHWOGARSDV-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252198378 377617476 /nfs/dbraw/zinc/61/74/76/377617476.db2.gz STUDCFYZDWONDG-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000252198378 377617478 /nfs/dbraw/zinc/61/74/78/377617478.db2.gz STUDCFYZDWONDG-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652809 377645081 /nfs/dbraw/zinc/64/50/81/377645081.db2.gz XPTBDLJKKKTSBE-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652809 377645085 /nfs/dbraw/zinc/64/50/85/377645085.db2.gz XPTBDLJKKKTSBE-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652809 377645092 /nfs/dbraw/zinc/64/50/92/377645092.db2.gz XPTBDLJKKKTSBE-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652809 377645099 /nfs/dbraw/zinc/64/50/99/377645099.db2.gz XPTBDLJKKKTSBE-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652807 377645523 /nfs/dbraw/zinc/64/55/23/377645523.db2.gz XPTBDLJKKKTSBE-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652807 377645527 /nfs/dbraw/zinc/64/55/27/377645527.db2.gz XPTBDLJKKKTSBE-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652807 377645535 /nfs/dbraw/zinc/64/55/35/377645535.db2.gz XPTBDLJKKKTSBE-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2F)[C@@H](C)C1 ZINC000252652807 377645539 /nfs/dbraw/zinc/64/55/39/377645539.db2.gz XPTBDLJKKKTSBE-BLLLJJGKSA-N 2 2 282.378 3.127 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000342674318 377727457 /nfs/dbraw/zinc/72/74/57/377727457.db2.gz TXGSCBAVNZQWMG-NONVJHHQSA-N 2 2 299.418 3.062 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000342696389 377741313 /nfs/dbraw/zinc/74/13/13/377741313.db2.gz ATLMPHKOHIUSRD-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000342696389 377741319 /nfs/dbraw/zinc/74/13/19/377741319.db2.gz ATLMPHKOHIUSRD-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000575136579 377753100 /nfs/dbraw/zinc/75/31/00/377753100.db2.gz CTCUNLLXKQOXMQ-HUUCEWRRSA-N 2 2 288.439 3.105 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000575136579 377753108 /nfs/dbraw/zinc/75/31/08/377753108.db2.gz CTCUNLLXKQOXMQ-HUUCEWRRSA-N 2 2 288.439 3.105 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000342718541 377754256 /nfs/dbraw/zinc/75/42/56/377754256.db2.gz YQLHHRUOEITCQR-ZFWWWQNUSA-N 2 2 272.502 3.228 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000261571485 377818469 /nfs/dbraw/zinc/81/84/69/377818469.db2.gz LCGNRTXJNJPLIE-IRUJWGPZSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000261571485 377818476 /nfs/dbraw/zinc/81/84/76/377818476.db2.gz LCGNRTXJNJPLIE-IRUJWGPZSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000261566129 377819264 /nfs/dbraw/zinc/81/92/64/377819264.db2.gz DILSTUSTZMJCOC-VGMNWLOBSA-N 2 2 261.196 3.380 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261581861 377820965 /nfs/dbraw/zinc/82/09/65/377820965.db2.gz QUVBVLMYCNHVKM-VHSXEESVSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000261581861 377820968 /nfs/dbraw/zinc/82/09/68/377820968.db2.gz QUVBVLMYCNHVKM-VHSXEESVSA-N 2 2 260.303 3.045 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([NH2+]C)CC1 ZINC000261591847 377822627 /nfs/dbraw/zinc/82/26/27/377822627.db2.gz YCLZDVUXOALVDL-HNNXBMFYSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261659511 377836493 /nfs/dbraw/zinc/83/64/93/377836493.db2.gz YEZLBLGJTNGTCC-STQMWFEESA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261659511 377836496 /nfs/dbraw/zinc/83/64/96/377836496.db2.gz YEZLBLGJTNGTCC-STQMWFEESA-N 2 2 289.448 3.289 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000261952324 377871140 /nfs/dbraw/zinc/87/11/40/377871140.db2.gz NIBPAEVBJLBBBQ-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000261952324 377871143 /nfs/dbraw/zinc/87/11/43/377871143.db2.gz NIBPAEVBJLBBBQ-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039194 377882119 /nfs/dbraw/zinc/88/21/19/377882119.db2.gz YAHINKXFMUBXOG-HZPDHXFCSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039194 377882126 /nfs/dbraw/zinc/88/21/26/377882126.db2.gz YAHINKXFMUBXOG-HZPDHXFCSA-N 2 2 260.425 3.300 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860380 377842548 /nfs/dbraw/zinc/84/25/48/377842548.db2.gz IWCXOZBBCLXVFJ-WBMJQRKESA-N 2 2 296.455 3.119 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860380 377842554 /nfs/dbraw/zinc/84/25/54/377842554.db2.gz IWCXOZBBCLXVFJ-WBMJQRKESA-N 2 2 296.455 3.119 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H](C)C1 ZINC000342913694 377857503 /nfs/dbraw/zinc/85/75/03/377857503.db2.gz VFGRVMJVRXDGOH-KGLIPLIRSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H](C)C1 ZINC000342913694 377857506 /nfs/dbraw/zinc/85/75/06/377857506.db2.gz VFGRVMJVRXDGOH-KGLIPLIRSA-N 2 2 257.381 3.202 20 0 CGADLP Cc1ccsc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000343666919 378059830 /nfs/dbraw/zinc/05/98/30/378059830.db2.gz YXIUCHYDKRMNNB-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)n1C ZINC000578907804 378112649 /nfs/dbraw/zinc/11/26/49/378112649.db2.gz CIQVTJGSLXTNOX-OLZOCXBDSA-N 2 2 257.381 3.010 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006607 378122181 /nfs/dbraw/zinc/12/21/81/378122181.db2.gz LPTIUQAKVLPDLU-YXCITZCRSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006607 378122185 /nfs/dbraw/zinc/12/21/85/378122185.db2.gz LPTIUQAKVLPDLU-YXCITZCRSA-N 2 2 290.373 3.180 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3Cc4ccccc4C3)C2)[nH]1 ZINC000579186978 378137282 /nfs/dbraw/zinc/13/72/82/378137282.db2.gz ZPRDROUOWGMRJR-QGZVFWFLSA-N 2 2 281.403 3.004 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3Cc4ccccc4C3)C2)[nH]1 ZINC000579186978 378137286 /nfs/dbraw/zinc/13/72/86/378137286.db2.gz ZPRDROUOWGMRJR-QGZVFWFLSA-N 2 2 281.403 3.004 20 0 CGADLP Cc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000343816225 378102299 /nfs/dbraw/zinc/10/22/99/378102299.db2.gz WTRDOTCEZYJWPN-RHSMWYFYSA-N 2 2 284.407 3.197 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000579887008 378204639 /nfs/dbraw/zinc/20/46/39/378204639.db2.gz KZBIRLPUDODAFX-QWHCGFSZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000579887008 378204645 /nfs/dbraw/zinc/20/46/45/378204645.db2.gz KZBIRLPUDODAFX-QWHCGFSZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000579887008 378204647 /nfs/dbraw/zinc/20/46/47/378204647.db2.gz KZBIRLPUDODAFX-QWHCGFSZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000579887008 378204650 /nfs/dbraw/zinc/20/46/50/378204650.db2.gz KZBIRLPUDODAFX-QWHCGFSZSA-N 2 2 281.469 3.039 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000345169465 378211951 /nfs/dbraw/zinc/21/19/51/378211951.db2.gz AHRSDDWGLUOHKE-IAQYHMDHSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032495 378176869 /nfs/dbraw/zinc/17/68/69/378176869.db2.gz UQKAXVFPAQOOKK-YHAQOWFVSA-N 2 2 298.352 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032495 378176873 /nfs/dbraw/zinc/17/68/73/378176873.db2.gz UQKAXVFPAQOOKK-YHAQOWFVSA-N 2 2 298.352 3.237 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565814 378370430 /nfs/dbraw/zinc/37/04/30/378370430.db2.gz LOVFVGHYQOITCW-DYVFJYSZSA-N 2 2 296.418 3.016 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565814 378370433 /nfs/dbraw/zinc/37/04/33/378370433.db2.gz LOVFVGHYQOITCW-DYVFJYSZSA-N 2 2 296.418 3.016 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC1CC[NH+](C2CC2)CC1 ZINC000584106759 378375036 /nfs/dbraw/zinc/37/50/36/378375036.db2.gz BJJXZDLXILJIKO-UHFFFAOYSA-N 2 2 295.430 3.251 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000271026086 378431442 /nfs/dbraw/zinc/43/14/42/378431442.db2.gz DOBJXEOYIFRGCJ-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000271026086 378431448 /nfs/dbraw/zinc/43/14/48/378431448.db2.gz DOBJXEOYIFRGCJ-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271928690 378521075 /nfs/dbraw/zinc/52/10/75/378521075.db2.gz GYEAEPRREYKWTC-RLFYNMQTSA-N 2 2 299.418 3.481 20 0 CGADLP c1cn(-c2csc(C[NH+]3Cc4ccccc4C3)c2)c[nH+]1 ZINC000346136317 378475817 /nfs/dbraw/zinc/47/58/17/378475817.db2.gz HFBIYAPYFZUSEQ-UHFFFAOYSA-N 2 2 281.384 3.450 20 0 CGADLP Cc1occc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346141265 378477101 /nfs/dbraw/zinc/47/71/01/378477101.db2.gz YIDIHNVDOVHEEH-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP Cc1occc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346141265 378477108 /nfs/dbraw/zinc/47/71/08/378477108.db2.gz YIDIHNVDOVHEEH-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)[nH]1 ZINC000271189055 378478053 /nfs/dbraw/zinc/47/80/53/378478053.db2.gz KZHCEKFVMJVUAN-UHFFFAOYSA-N 2 2 295.386 3.065 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346173622 378489249 /nfs/dbraw/zinc/48/92/49/378489249.db2.gz KKSHXTBZKZQXRU-AWEZNQCLSA-N 2 2 261.394 3.164 20 0 CGADLP CC(C)[C@@H]1CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346173622 378489256 /nfs/dbraw/zinc/48/92/56/378489256.db2.gz KKSHXTBZKZQXRU-AWEZNQCLSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@@H+]1C ZINC000346345637 378553470 /nfs/dbraw/zinc/55/34/70/378553470.db2.gz WYMUQWCKSMQNAY-MFNRNEDNSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@H+]1C ZINC000346345637 378553475 /nfs/dbraw/zinc/55/34/75/378553475.db2.gz WYMUQWCKSMQNAY-MFNRNEDNSA-N 2 2 258.409 3.005 20 0 CGADLP Cc1cc(NCc2[nH+]ccn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000272433022 378636176 /nfs/dbraw/zinc/63/61/76/378636176.db2.gz JYNCMZUCOMGLQS-AWEZNQCLSA-N 2 2 299.422 3.114 20 0 CGADLP CC[C@H](COC)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346594948 378638381 /nfs/dbraw/zinc/63/83/81/378638381.db2.gz MRJIHMVSENRICT-QZTJIDSGSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@H](COC)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346594948 378638385 /nfs/dbraw/zinc/63/83/85/378638385.db2.gz MRJIHMVSENRICT-QZTJIDSGSA-N 2 2 292.467 3.158 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)[nH]1 ZINC000637949722 378642832 /nfs/dbraw/zinc/64/28/32/378642832.db2.gz AYZMSJYEJLAXAW-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)[nH]1 ZINC000637949722 378642834 /nfs/dbraw/zinc/64/28/34/378642834.db2.gz AYZMSJYEJLAXAW-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)cccc2OC)CC1 ZINC000637955245 378644269 /nfs/dbraw/zinc/64/42/69/378644269.db2.gz HJHRTFHRPAORHE-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2OC)CC1 ZINC000637955245 378644271 /nfs/dbraw/zinc/64/42/71/378644271.db2.gz HJHRTFHRPAORHE-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCSCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000272924391 378724156 /nfs/dbraw/zinc/72/41/56/378724156.db2.gz UIXLIKJZFDLMOM-UHFFFAOYSA-N 2 2 289.448 3.414 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000348091957 378787347 /nfs/dbraw/zinc/78/73/47/378787347.db2.gz ZKUWLXBLGXFTKZ-HIFRSBDPSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1cccc2c1[nH+]cc(C)c2N(C)Cc1[nH+]ccn1C ZINC000274189873 378790699 /nfs/dbraw/zinc/79/06/99/378790699.db2.gz QPOQLKCCSPRGAZ-UHFFFAOYSA-N 2 2 280.375 3.222 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)CCC2 ZINC000348104940 378795037 /nfs/dbraw/zinc/79/50/37/378795037.db2.gz FJCSLFVPNCDLAN-ZNMIVQPWSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000278484090 194005442 /nfs/dbraw/zinc/00/54/42/194005442.db2.gz AVWCJYGUSPORKO-UHFFFAOYSA-N 2 2 296.414 3.090 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)CCC2 ZINC000346800607 218018687 /nfs/dbraw/zinc/01/86/87/218018687.db2.gz RYXMPXLDRVIEEK-JEBQAFNWSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)CCC2 ZINC000346800607 218018689 /nfs/dbraw/zinc/01/86/89/218018689.db2.gz RYXMPXLDRVIEEK-JEBQAFNWSA-N 2 2 288.435 3.145 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000348286251 378886184 /nfs/dbraw/zinc/88/61/84/378886184.db2.gz YAKUVMZCUNPSGZ-UHFFFAOYSA-N 2 2 298.434 3.368 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000348286251 378886192 /nfs/dbraw/zinc/88/61/92/378886192.db2.gz YAKUVMZCUNPSGZ-UHFFFAOYSA-N 2 2 298.434 3.368 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)(C)C1 ZINC000348264792 378873703 /nfs/dbraw/zinc/87/37/03/378873703.db2.gz ZBEOYYFBOCSCTQ-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC(C)(C)C1 ZINC000348264792 378873706 /nfs/dbraw/zinc/87/37/06/378873706.db2.gz ZBEOYYFBOCSCTQ-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)s1 ZINC000348358327 378926260 /nfs/dbraw/zinc/92/62/60/378926260.db2.gz QQYYWXBWBARWBB-GFCCVEGCSA-N 2 2 281.469 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)s1 ZINC000348358327 378926264 /nfs/dbraw/zinc/92/62/64/378926264.db2.gz QQYYWXBWBARWBB-GFCCVEGCSA-N 2 2 281.469 3.215 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000348323874 378909644 /nfs/dbraw/zinc/90/96/44/378909644.db2.gz PTDGJNFZLCZWBI-CHWSQXEVSA-N 2 2 281.469 3.231 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cs1 ZINC000348323874 378909652 /nfs/dbraw/zinc/90/96/52/378909652.db2.gz PTDGJNFZLCZWBI-CHWSQXEVSA-N 2 2 281.469 3.231 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000346995663 218084545 /nfs/dbraw/zinc/08/45/45/218084545.db2.gz BSZVYNCQUFHTDT-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000346995663 218084547 /nfs/dbraw/zinc/08/45/47/218084547.db2.gz BSZVYNCQUFHTDT-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000346995664 218085358 /nfs/dbraw/zinc/08/53/58/218085358.db2.gz BSZVYNCQUFHTDT-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000346995664 218085360 /nfs/dbraw/zinc/08/53/60/218085360.db2.gz BSZVYNCQUFHTDT-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc2cccnc12 ZINC000347003118 218087262 /nfs/dbraw/zinc/08/72/62/218087262.db2.gz KPRGJRPJIAOHQF-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc2cccnc12 ZINC000347003118 218087264 /nfs/dbraw/zinc/08/72/64/218087264.db2.gz KPRGJRPJIAOHQF-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347037957 218099825 /nfs/dbraw/zinc/09/98/25/218099825.db2.gz GESNYSFLMALENA-LBPRGKRZSA-N 2 2 274.339 3.009 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347037957 218099827 /nfs/dbraw/zinc/09/98/27/218099827.db2.gz GESNYSFLMALENA-LBPRGKRZSA-N 2 2 274.339 3.009 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917077 378951844 /nfs/dbraw/zinc/95/18/44/378951844.db2.gz ACLSDFYZJYDKGG-NCXUSEDFSA-N 2 2 284.447 3.206 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917077 378951848 /nfs/dbraw/zinc/95/18/48/378951848.db2.gz ACLSDFYZJYDKGG-NCXUSEDFSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917077 378951855 /nfs/dbraw/zinc/95/18/55/378951855.db2.gz ACLSDFYZJYDKGG-NCXUSEDFSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000638917077 378951858 /nfs/dbraw/zinc/95/18/58/378951858.db2.gz ACLSDFYZJYDKGG-NCXUSEDFSA-N 2 2 284.447 3.206 20 0 CGADLP C[N@H+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347056389 218107812 /nfs/dbraw/zinc/10/78/12/218107812.db2.gz UWXIAHDDWKUXIV-PBWFPOADSA-N 2 2 291.464 3.125 20 0 CGADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347056389 218107813 /nfs/dbraw/zinc/10/78/13/218107813.db2.gz UWXIAHDDWKUXIV-PBWFPOADSA-N 2 2 291.464 3.125 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000370167759 378990571 /nfs/dbraw/zinc/99/05/71/378990571.db2.gz URFUIDWDKMDKLM-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000370167759 378990580 /nfs/dbraw/zinc/99/05/80/378990580.db2.gz URFUIDWDKMDKLM-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)oc1C ZINC000370306620 379005132 /nfs/dbraw/zinc/00/51/32/379005132.db2.gz WOTBHZHFVWONCR-CFVMTHIKSA-N 2 2 262.397 3.174 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000370306620 379005137 /nfs/dbraw/zinc/00/51/37/379005137.db2.gz WOTBHZHFVWONCR-CFVMTHIKSA-N 2 2 262.397 3.174 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000347315759 218188112 /nfs/dbraw/zinc/18/81/12/218188112.db2.gz HTPNFNCNIUJDNH-SJORKVTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000347315759 218188114 /nfs/dbraw/zinc/18/81/14/218188114.db2.gz HTPNFNCNIUJDNH-SJORKVTESA-N 2 2 274.452 3.187 20 0 CGADLP c1ccc(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)[nH+]c1 ZINC000277111956 379072913 /nfs/dbraw/zinc/07/29/13/379072913.db2.gz IBMXGNLLVQGYLK-UHFFFAOYSA-N 2 2 285.435 3.363 20 0 CGADLP C[C@@H](CCC1CC1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836915 379075774 /nfs/dbraw/zinc/07/57/74/379075774.db2.gz FMMDIWSOYLHIOE-ZDUSSCGKSA-N 2 2 270.380 3.317 20 0 CGADLP CC[C@@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851231 379085613 /nfs/dbraw/zinc/08/56/13/379085613.db2.gz YLHWYEQYTRIFSM-CHWSQXEVSA-N 2 2 258.369 3.173 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000277327774 379131339 /nfs/dbraw/zinc/13/13/39/379131339.db2.gz UCMUWLFXECPICR-GJZGRUSLSA-N 2 2 278.465 3.442 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124071 379164247 /nfs/dbraw/zinc/16/42/47/379164247.db2.gz ASZUZOLWYARADU-GDBMZVCRSA-N 2 2 299.418 3.022 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124071 379164255 /nfs/dbraw/zinc/16/42/55/379164255.db2.gz ASZUZOLWYARADU-GDBMZVCRSA-N 2 2 299.418 3.022 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)[nH]1 ZINC000277462186 379164556 /nfs/dbraw/zinc/16/45/56/379164556.db2.gz INHJIWHPVQRXMT-INIZCTEOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)[nH]1 ZINC000277462186 379164561 /nfs/dbraw/zinc/16/45/61/379164561.db2.gz INHJIWHPVQRXMT-INIZCTEOSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277347596 379137974 /nfs/dbraw/zinc/13/79/74/379137974.db2.gz WLWSWFRPZFLRIF-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277347596 379137985 /nfs/dbraw/zinc/13/79/85/379137985.db2.gz WLWSWFRPZFLRIF-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1nc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C)c(C)[nH+]1 ZINC000372297923 379193253 /nfs/dbraw/zinc/19/32/53/379193253.db2.gz LJNUUJUUIUSHJE-INIZCTEOSA-N 2 2 282.391 3.000 20 0 CGADLP Cc1nc(N[C@H]2C[N@H+](C)Cc3ccccc32)c(C)c(C)[nH+]1 ZINC000372297923 379193259 /nfs/dbraw/zinc/19/32/59/379193259.db2.gz LJNUUJUUIUSHJE-INIZCTEOSA-N 2 2 282.391 3.000 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373106123 379223464 /nfs/dbraw/zinc/22/34/64/379223464.db2.gz FYCBGMKLGAXMGE-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373106123 379223475 /nfs/dbraw/zinc/22/34/75/379223475.db2.gz FYCBGMKLGAXMGE-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCCn1nc(C)c(C[N@H+](CCC)CCC[NH+](C)C)c1C ZINC000349354881 379245183 /nfs/dbraw/zinc/24/51/83/379245183.db2.gz UMNCSTMDAPXSIE-UHFFFAOYSA-N 2 2 294.487 3.074 20 0 CGADLP CCCn1nc(C)c(C[N@@H+](CCC)CCC[NH+](C)C)c1C ZINC000349354881 379245190 /nfs/dbraw/zinc/24/51/90/379245190.db2.gz UMNCSTMDAPXSIE-UHFFFAOYSA-N 2 2 294.487 3.074 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2cc(F)ccc2o1 ZINC000349412367 379272559 /nfs/dbraw/zinc/27/25/59/379272559.db2.gz CATHEQVBZKBPMC-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2cc(F)ccc2o1 ZINC000349412367 379272572 /nfs/dbraw/zinc/27/25/72/379272572.db2.gz CATHEQVBZKBPMC-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349600713 379315892 /nfs/dbraw/zinc/31/58/92/379315892.db2.gz QYRVHNONUSEPBK-NSHDSACASA-N 2 2 287.860 3.007 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349600713 379315902 /nfs/dbraw/zinc/31/59/02/379315902.db2.gz QYRVHNONUSEPBK-NSHDSACASA-N 2 2 287.860 3.007 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000349627712 379324675 /nfs/dbraw/zinc/32/46/75/379324675.db2.gz DXLRKCFHOHHKAW-CZUORRHYSA-N 2 2 278.465 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000349627712 379324690 /nfs/dbraw/zinc/32/46/90/379324690.db2.gz DXLRKCFHOHHKAW-CZUORRHYSA-N 2 2 278.465 3.371 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000639376137 379333148 /nfs/dbraw/zinc/33/31/48/379333148.db2.gz VQEYEPGERNXMBQ-UHFFFAOYSA-N 2 2 291.439 3.132 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000639376672 379335089 /nfs/dbraw/zinc/33/50/89/379335089.db2.gz UDSHMOHGCRFWEY-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347589556 218283472 /nfs/dbraw/zinc/28/34/72/218283472.db2.gz XYXDYTSRYGKDQP-UKRRQHHQSA-N 2 2 263.429 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347589556 218283474 /nfs/dbraw/zinc/28/34/74/218283474.db2.gz XYXDYTSRYGKDQP-UKRRQHHQSA-N 2 2 263.429 3.338 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H](C3CCC3)CC1)CCC2 ZINC000639392557 379357520 /nfs/dbraw/zinc/35/75/20/379357520.db2.gz ZLKKZJHMZTZUJC-HNNXBMFYSA-N 2 2 273.424 3.232 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H](C3CCC3)CC1)CCC2 ZINC000639392557 379357525 /nfs/dbraw/zinc/35/75/25/379357525.db2.gz ZLKKZJHMZTZUJC-HNNXBMFYSA-N 2 2 273.424 3.232 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399961 379365423 /nfs/dbraw/zinc/36/54/23/379365423.db2.gz WTVHIXXNEFWJHK-RCAFFNEUSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399961 379365427 /nfs/dbraw/zinc/36/54/27/379365427.db2.gz WTVHIXXNEFWJHK-RCAFFNEUSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000347600724 218286737 /nfs/dbraw/zinc/28/67/37/218286737.db2.gz VYGWXVCDSDDYIO-HUUCEWRRSA-N 2 2 269.392 3.350 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000347600724 218286738 /nfs/dbraw/zinc/28/67/38/218286738.db2.gz VYGWXVCDSDDYIO-HUUCEWRRSA-N 2 2 269.392 3.350 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000278752129 379405050 /nfs/dbraw/zinc/40/50/50/379405050.db2.gz MUPABJLQSSWINH-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000278752129 379405059 /nfs/dbraw/zinc/40/50/59/379405059.db2.gz MUPABJLQSSWINH-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@](C)(CO)c2ccccc2)c(C)[nH+]1 ZINC000639483735 379424509 /nfs/dbraw/zinc/42/45/09/379424509.db2.gz VGZPBMMIDFVAGP-GOSISDBHSA-N 2 2 284.403 3.004 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000266774430 190279906 /nfs/dbraw/zinc/27/99/06/190279906.db2.gz SVNIZJRZRDKZKB-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)oc1C ZINC000377120068 379634156 /nfs/dbraw/zinc/63/41/56/379634156.db2.gz MCYQUBWQGKFLGK-ZDUSSCGKSA-N 2 2 287.407 3.323 20 0 CGADLP CC(C)C[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000267228127 190313710 /nfs/dbraw/zinc/31/37/10/190313710.db2.gz PJCSSFZMADXIFZ-UHFFFAOYSA-N 2 2 284.407 3.162 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377409968 379676899 /nfs/dbraw/zinc/67/68/99/379676899.db2.gz JAWPUKXAEYWISB-ZBFHGGJFSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377409968 379676904 /nfs/dbraw/zinc/67/69/04/379676904.db2.gz JAWPUKXAEYWISB-ZBFHGGJFSA-N 2 2 283.419 3.186 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377803789 379743640 /nfs/dbraw/zinc/74/36/40/379743640.db2.gz ZVKPKVYZNCOJJP-IXYNUQLISA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377803789 379743643 /nfs/dbraw/zinc/74/36/43/379743643.db2.gz ZVKPKVYZNCOJJP-IXYNUQLISA-N 2 2 275.440 3.317 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839386 379747433 /nfs/dbraw/zinc/74/74/33/379747433.db2.gz IRBYOALNVUWEHZ-IUODEOHRSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839386 379747439 /nfs/dbraw/zinc/74/74/39/379747439.db2.gz IRBYOALNVUWEHZ-IUODEOHRSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839386 379747445 /nfs/dbraw/zinc/74/74/45/379747445.db2.gz IRBYOALNVUWEHZ-IUODEOHRSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839386 379747450 /nfs/dbraw/zinc/74/74/50/379747450.db2.gz IRBYOALNVUWEHZ-IUODEOHRSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1cc(NCCCc2[nH+]c3ccccc3n2C)nc(C)[nH+]1 ZINC000267515495 190335140 /nfs/dbraw/zinc/33/51/40/190335140.db2.gz DGLOYLFONKJRFM-UHFFFAOYSA-N 2 2 295.390 3.025 20 0 CGADLP COC[C@H](C)C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398078154 379926034 /nfs/dbraw/zinc/92/60/34/379926034.db2.gz ANLVFOMDPMLTLW-SJLPKXTDSA-N 2 2 292.467 3.015 20 0 CGADLP COC[C@H](C)C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398078154 379926041 /nfs/dbraw/zinc/92/60/41/379926041.db2.gz ANLVFOMDPMLTLW-SJLPKXTDSA-N 2 2 292.467 3.015 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3occc3c2)CCC[N@@H+]1C ZINC000352730870 379928985 /nfs/dbraw/zinc/92/89/85/379928985.db2.gz HFRZRWOJMBYSJA-IUODEOHRSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3occc3c2)CCC[N@H+]1C ZINC000352730870 379928990 /nfs/dbraw/zinc/92/89/90/379928990.db2.gz HFRZRWOJMBYSJA-IUODEOHRSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000399018860 379933213 /nfs/dbraw/zinc/93/32/13/379933213.db2.gz GBTPZENYQGYBCV-SUNKGSAMSA-N 2 2 286.341 3.497 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC(C)(C)CC2)s1 ZINC000347866641 218384363 /nfs/dbraw/zinc/38/43/63/218384363.db2.gz PPVNSTFFKFVISQ-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC(C)(C)CC2)s1 ZINC000347866641 218384365 /nfs/dbraw/zinc/38/43/65/218384365.db2.gz PPVNSTFFKFVISQ-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000641387615 379997307 /nfs/dbraw/zinc/99/73/07/379997307.db2.gz GIESECGYTVTWLD-HNNXBMFYSA-N 2 2 287.451 3.301 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCc2ccccc21)Cc1ccccc1 ZINC000347912849 218397046 /nfs/dbraw/zinc/39/70/46/218397046.db2.gz WABWLKIERBWDQX-LJQANCHMSA-N 2 2 280.415 3.396 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCc2ccccc21)Cc1ccccc1 ZINC000347912849 218397047 /nfs/dbraw/zinc/39/70/47/218397047.db2.gz WABWLKIERBWDQX-LJQANCHMSA-N 2 2 280.415 3.396 20 0 CGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000641801375 380112114 /nfs/dbraw/zinc/11/21/14/380112114.db2.gz BSWJZLRQYTZUJC-RYUDHWBXSA-N 2 2 293.461 3.087 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000353285972 380201679 /nfs/dbraw/zinc/20/16/79/380201679.db2.gz BUVUXPAOCXQJMH-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1nc(C)c(CC[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000348035652 218432167 /nfs/dbraw/zinc/43/21/67/218432167.db2.gz JWLJJDHFSZVXGS-UHFFFAOYSA-N 2 2 289.448 3.228 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCC)c1cccnc1 ZINC000353987750 380266614 /nfs/dbraw/zinc/26/66/14/380266614.db2.gz RPCYUUHWVHXDBM-DLBZAZTESA-N 2 2 275.440 3.387 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCC)c1cccnc1 ZINC000353987750 380266621 /nfs/dbraw/zinc/26/66/21/380266621.db2.gz RPCYUUHWVHXDBM-DLBZAZTESA-N 2 2 275.440 3.387 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353987999 380267277 /nfs/dbraw/zinc/26/72/77/380267277.db2.gz SMTSXPRXYDLXID-ZOBUZTSGSA-N 2 2 299.418 3.196 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000353994354 380268935 /nfs/dbraw/zinc/26/89/35/380268935.db2.gz AVIWSONIHJSOOX-WBVHZDCISA-N 2 2 288.435 3.364 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000353994354 380268938 /nfs/dbraw/zinc/26/89/38/380268938.db2.gz AVIWSONIHJSOOX-WBVHZDCISA-N 2 2 288.435 3.364 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353608251 380214431 /nfs/dbraw/zinc/21/44/31/380214431.db2.gz IARFRVWFOHPMRS-TZMCWYRMSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353608251 380214435 /nfs/dbraw/zinc/21/44/35/380214435.db2.gz IARFRVWFOHPMRS-TZMCWYRMSA-N 2 2 287.794 3.198 20 0 CGADLP COc1ccc(C)cc1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353919723 380235610 /nfs/dbraw/zinc/23/56/10/380235610.db2.gz ZJZQYANYCAMOPP-UHFFFAOYSA-N 2 2 298.430 3.472 20 0 CGADLP Cc1occc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000414438832 380236668 /nfs/dbraw/zinc/23/66/68/380236668.db2.gz RTZPYPMQXWFBDC-ROUUACIJSA-N 2 2 299.418 3.108 20 0 CGADLP Cc1occc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000414438832 380236676 /nfs/dbraw/zinc/23/66/76/380236676.db2.gz RTZPYPMQXWFBDC-ROUUACIJSA-N 2 2 299.418 3.108 20 0 CGADLP Cc1occc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000414438832 380236680 /nfs/dbraw/zinc/23/66/80/380236680.db2.gz RTZPYPMQXWFBDC-ROUUACIJSA-N 2 2 299.418 3.108 20 0 CGADLP Cc1occc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000414438832 380236686 /nfs/dbraw/zinc/23/66/86/380236686.db2.gz RTZPYPMQXWFBDC-ROUUACIJSA-N 2 2 299.418 3.108 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000354088429 380316893 /nfs/dbraw/zinc/31/68/93/380316893.db2.gz PKHJSPCYECZIFR-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000354088429 380316902 /nfs/dbraw/zinc/31/69/02/380316902.db2.gz PKHJSPCYECZIFR-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000354088429 380316908 /nfs/dbraw/zinc/31/69/08/380316908.db2.gz PKHJSPCYECZIFR-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000354088429 380316913 /nfs/dbraw/zinc/31/69/13/380316913.db2.gz PKHJSPCYECZIFR-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000643500943 380320809 /nfs/dbraw/zinc/32/08/09/380320809.db2.gz KDZIWJJGHMSQRF-DOMZBBRYSA-N 2 2 268.351 3.148 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501925 380324196 /nfs/dbraw/zinc/32/41/96/380324196.db2.gz STDGPQHNOATVFN-UKRRQHHQSA-N 2 2 294.826 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cnc2ccsc2c1 ZINC000643502173 380324448 /nfs/dbraw/zinc/32/44/48/380324448.db2.gz ZFXGTCGLDAPVEO-WCQYABFASA-N 2 2 275.421 3.089 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]CC[NH2+]C3CC3)c(C)c2c1 ZINC000643506701 380328471 /nfs/dbraw/zinc/32/84/71/380328471.db2.gz GBYROPHTUNRNOL-LBPRGKRZSA-N 2 2 288.391 3.152 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000643344776 380284944 /nfs/dbraw/zinc/28/49/44/380284944.db2.gz MYPXJLXGEIXYDN-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000643344776 380284948 /nfs/dbraw/zinc/28/49/48/380284948.db2.gz MYPXJLXGEIXYDN-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP CC[N@H+](Cc1occc1C)Cc1cccc2[nH+]ccn21 ZINC000414551974 380315470 /nfs/dbraw/zinc/31/54/70/380315470.db2.gz QJERQCNZZXEJON-UHFFFAOYSA-N 2 2 269.348 3.258 20 0 CGADLP CC[N@@H+](Cc1occc1C)Cc1cccc2[nH+]ccn21 ZINC000414551974 380315478 /nfs/dbraw/zinc/31/54/78/380315478.db2.gz QJERQCNZZXEJON-UHFFFAOYSA-N 2 2 269.348 3.258 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000414687039 380372649 /nfs/dbraw/zinc/37/26/49/380372649.db2.gz BHPGXMYUFSFSOB-OAHLLOKOSA-N 2 2 282.472 3.174 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000414697734 380378293 /nfs/dbraw/zinc/37/82/93/380378293.db2.gz CVWIYACKSZCJSU-LBPRGKRZSA-N 2 2 266.351 3.024 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000414697734 380378301 /nfs/dbraw/zinc/37/83/01/380378301.db2.gz CVWIYACKSZCJSU-LBPRGKRZSA-N 2 2 266.351 3.024 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000414768757 380396969 /nfs/dbraw/zinc/39/69/69/380396969.db2.gz LDWFBGNWWPNJNL-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000414768757 380396974 /nfs/dbraw/zinc/39/69/74/380396974.db2.gz LDWFBGNWWPNJNL-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000354295453 380389703 /nfs/dbraw/zinc/38/97/03/380389703.db2.gz HQVBSBFQUIHZEF-ZDUSSCGKSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537363 380353717 /nfs/dbraw/zinc/35/37/17/380353717.db2.gz GEKSRSJANRALHT-USWWRNFRSA-N 2 2 299.459 3.100 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC000643537632 380354368 /nfs/dbraw/zinc/35/43/68/380354368.db2.gz NDZCCTYENTVEEM-ULQDDVLXSA-N 2 2 276.399 3.208 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643537829 380355795 /nfs/dbraw/zinc/35/57/95/380355795.db2.gz RTTFMKNADJYMSR-HRCADAONSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccoc1 ZINC000643538617 380356477 /nfs/dbraw/zinc/35/64/77/380356477.db2.gz PPAJIAPMTLSOIQ-KKUMJFAQSA-N 2 2 268.376 3.047 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414817282 380428640 /nfs/dbraw/zinc/42/86/40/380428640.db2.gz RWOFOVJFPAVZEV-LBPRGKRZSA-N 2 2 295.477 3.479 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000414818841 380429805 /nfs/dbraw/zinc/42/98/05/380429805.db2.gz WVCKCGYQJLLQKA-JTQLQIEISA-N 2 2 291.258 3.118 20 0 CGADLP Cc1ncc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414821499 380432643 /nfs/dbraw/zinc/43/26/43/380432643.db2.gz CGWJOJZSIKOARZ-INIZCTEOSA-N 2 2 289.448 3.365 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000414824972 380433783 /nfs/dbraw/zinc/43/37/83/380433783.db2.gz BNPWWTGYALNKBA-AWEZNQCLSA-N 2 2 292.329 3.078 20 0 CGADLP [NH3+][C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000414833707 380442541 /nfs/dbraw/zinc/44/25/41/380442541.db2.gz PVZMAIBNVKVPNM-BZSNNMDCSA-N 2 2 266.388 3.080 20 0 CGADLP c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCC[NH2+]2 ZINC000414856998 380458097 /nfs/dbraw/zinc/45/80/97/380458097.db2.gz ZKYXUKBYDXTUIP-KBAYOESNSA-N 2 2 285.435 3.377 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000414839977 380447540 /nfs/dbraw/zinc/44/75/40/380447540.db2.gz WWBVZBAVMSSJJE-AWEZNQCLSA-N 2 2 289.448 3.230 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839853 380447798 /nfs/dbraw/zinc/44/77/98/380447798.db2.gz WQONXDYAOOZGHG-CJNGLKHVSA-N 2 2 274.433 3.359 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000414772751 380398772 /nfs/dbraw/zinc/39/87/72/380398772.db2.gz RNWRUIIAWWJBFS-NHYWBVRUSA-N 2 2 274.339 3.007 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000414772751 380398779 /nfs/dbraw/zinc/39/87/79/380398779.db2.gz RNWRUIIAWWJBFS-NHYWBVRUSA-N 2 2 274.339 3.007 20 0 CGADLP C[N@H+](Cc1cc2ccccc2s1)C1(C[NH3+])CCC1 ZINC000414773698 380398976 /nfs/dbraw/zinc/39/89/76/380398976.db2.gz ATEWSHTWDJRMTC-UHFFFAOYSA-N 2 2 260.406 3.215 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2s1)C1(C[NH3+])CCC1 ZINC000414773698 380398980 /nfs/dbraw/zinc/39/89/80/380398980.db2.gz ATEWSHTWDJRMTC-UHFFFAOYSA-N 2 2 260.406 3.215 20 0 CGADLP CCc1nocc1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354356478 380411745 /nfs/dbraw/zinc/41/17/45/380411745.db2.gz RRBCYUIOPJOWFO-UHFFFAOYSA-N 2 2 273.380 3.005 20 0 CGADLP CCc1nocc1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000354356478 380411748 /nfs/dbraw/zinc/41/17/48/380411748.db2.gz RRBCYUIOPJOWFO-UHFFFAOYSA-N 2 2 273.380 3.005 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C2CCOCC2)c[nH+]1 ZINC000354569294 380488510 /nfs/dbraw/zinc/48/85/10/380488510.db2.gz KQHLARHACASQAM-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2C2CCOCC2)c[nH+]1 ZINC000354569294 380488513 /nfs/dbraw/zinc/48/85/13/380488513.db2.gz KQHLARHACASQAM-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414921948 380489632 /nfs/dbraw/zinc/48/96/32/380489632.db2.gz FKYNLKSUJCOWOJ-RNCFNFMXSA-N 2 2 273.207 3.081 20 0 CGADLP COCC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccco1 ZINC000354648456 380513344 /nfs/dbraw/zinc/51/33/44/380513344.db2.gz MAFSWTKEGYFGSA-MRXNPFEDSA-N 2 2 288.391 3.283 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)CC(F)(F)F)c[nH+]1 ZINC000354655354 380516377 /nfs/dbraw/zinc/51/63/77/380516377.db2.gz WGTYTJDSCNCNEP-LLVKDONJSA-N 2 2 260.303 3.253 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]c2ccc(C)cn12 ZINC000414864315 380464129 /nfs/dbraw/zinc/46/41/29/380464129.db2.gz KDDJBYUOFTXKBJ-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2nnc(C(C)C)s2)c[nH+]1 ZINC000354513981 380465612 /nfs/dbraw/zinc/46/56/12/380465612.db2.gz ZXCUNFDYRNHUPE-UHFFFAOYSA-N 2 2 290.436 3.087 20 0 CGADLP C[C@H](CC[NH+](C)C)Nc1[nH+]cccc1OCc1ccccc1 ZINC000354522358 380469670 /nfs/dbraw/zinc/46/96/70/380469670.db2.gz NAUSBAPLUYURSV-OAHLLOKOSA-N 2 2 299.418 3.413 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000354525744 380470656 /nfs/dbraw/zinc/47/06/56/380470656.db2.gz KWBPCAFGOJPFOH-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000354525744 380470661 /nfs/dbraw/zinc/47/06/61/380470661.db2.gz KWBPCAFGOJPFOH-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)oc3ccccc32)CCC1 ZINC000414879987 380471845 /nfs/dbraw/zinc/47/18/45/380471845.db2.gz QFMWAWZXTUSWDV-UHFFFAOYSA-N 2 2 264.756 3.057 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCSCC1 ZINC000355120504 380583705 /nfs/dbraw/zinc/58/37/05/380583705.db2.gz KAMUFANLVYTXDF-XJKSGUPXSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCSCC1 ZINC000355120504 380583709 /nfs/dbraw/zinc/58/37/09/380583709.db2.gz KAMUFANLVYTXDF-XJKSGUPXSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000355138020 380595614 /nfs/dbraw/zinc/59/56/14/380595614.db2.gz RAXJYAHKAWFBEE-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000355138020 380595619 /nfs/dbraw/zinc/59/56/19/380595619.db2.gz RAXJYAHKAWFBEE-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000417351266 380604211 /nfs/dbraw/zinc/60/42/11/380604211.db2.gz BWLOIUHLBHSONE-SJORKVTESA-N 2 2 272.436 3.181 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSC[C@@H](C)C2)c[nH+]1 ZINC000355177663 380611013 /nfs/dbraw/zinc/61/10/13/380611013.db2.gz OJCNUBNVRZJOOY-ZDUSSCGKSA-N 2 2 264.438 3.008 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSC[C@@H](C)C2)c[nH+]1 ZINC000355177663 380611018 /nfs/dbraw/zinc/61/10/18/380611018.db2.gz OJCNUBNVRZJOOY-ZDUSSCGKSA-N 2 2 264.438 3.008 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccco1 ZINC000355731342 380762927 /nfs/dbraw/zinc/76/29/27/380762927.db2.gz MAUJSUGEFPKITG-OAHLLOKOSA-N 2 2 299.374 3.103 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811610 380739351 /nfs/dbraw/zinc/73/93/51/380739351.db2.gz UYKZHIGCKUPMBC-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811610 380739354 /nfs/dbraw/zinc/73/93/54/380739354.db2.gz UYKZHIGCKUPMBC-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811610 380739359 /nfs/dbraw/zinc/73/93/59/380739359.db2.gz UYKZHIGCKUPMBC-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811610 380739360 /nfs/dbraw/zinc/73/93/60/380739360.db2.gz UYKZHIGCKUPMBC-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP C[N@H+](CC1=CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926547 380780777 /nfs/dbraw/zinc/78/07/77/380780777.db2.gz FJGBIARRPZLGAY-UHFFFAOYSA-N 2 2 290.373 3.445 20 0 CGADLP C[N@@H+](CC1=CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000645926547 380780779 /nfs/dbraw/zinc/78/07/79/380780779.db2.gz FJGBIARRPZLGAY-UHFFFAOYSA-N 2 2 290.373 3.445 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052323 380813860 /nfs/dbraw/zinc/81/38/60/380813860.db2.gz LHFCVSKPYMSUQD-ZBFHGGJFSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052323 380813864 /nfs/dbraw/zinc/81/38/64/380813864.db2.gz LHFCVSKPYMSUQD-ZBFHGGJFSA-N 2 2 275.440 3.111 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419361129 380814148 /nfs/dbraw/zinc/81/41/48/380814148.db2.gz SQVUPKMZQAPYTG-UGUYLWEFSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419361129 380814150 /nfs/dbraw/zinc/81/41/50/380814150.db2.gz SQVUPKMZQAPYTG-UGUYLWEFSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419361129 380814155 /nfs/dbraw/zinc/81/41/55/380814155.db2.gz SQVUPKMZQAPYTG-UGUYLWEFSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419361129 380814158 /nfs/dbraw/zinc/81/41/58/380814158.db2.gz SQVUPKMZQAPYTG-UGUYLWEFSA-N 2 2 252.446 3.226 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339012 380883585 /nfs/dbraw/zinc/88/35/85/380883585.db2.gz FHJMKUWLGHBEGJ-BBRMVZONSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339012 380883590 /nfs/dbraw/zinc/88/35/90/380883590.db2.gz FHJMKUWLGHBEGJ-BBRMVZONSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1Cl ZINC000356970703 380963980 /nfs/dbraw/zinc/96/39/80/380963980.db2.gz BZRNHUFDFYZCSV-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1Cl ZINC000356970703 380963987 /nfs/dbraw/zinc/96/39/87/380963987.db2.gz BZRNHUFDFYZCSV-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1Cl ZINC000356970703 380963996 /nfs/dbraw/zinc/96/39/96/380963996.db2.gz BZRNHUFDFYZCSV-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1Cl ZINC000356970703 380964002 /nfs/dbraw/zinc/96/40/02/380964002.db2.gz BZRNHUFDFYZCSV-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000334862173 207204985 /nfs/dbraw/zinc/20/49/85/207204985.db2.gz IFLXHDGIGZNEFY-KOLCDFICSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(Cl)c1 ZINC000334867432 207216331 /nfs/dbraw/zinc/21/63/31/207216331.db2.gz FLTNBMDLAYOLIQ-MNOVXSKESA-N 2 2 270.779 3.018 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[NH+]1CCCC1 ZINC000361078450 381647180 /nfs/dbraw/zinc/64/71/80/381647180.db2.gz HQGWIEBJOCVTKK-YOEHRIQHSA-N 2 2 288.435 3.234 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc1C(C)C ZINC000361340366 381707397 /nfs/dbraw/zinc/70/73/97/381707397.db2.gz CZNVJJJAIGJIIN-YPMHNXCESA-N 2 2 281.469 3.147 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc1C(C)C ZINC000361340366 381707403 /nfs/dbraw/zinc/70/74/03/381707403.db2.gz CZNVJJJAIGJIIN-YPMHNXCESA-N 2 2 281.469 3.147 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361596694 381827215 /nfs/dbraw/zinc/82/72/15/381827215.db2.gz UMPUVDKCBLJRLA-QWHCGFSZSA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361596694 381827219 /nfs/dbraw/zinc/82/72/19/381827219.db2.gz UMPUVDKCBLJRLA-QWHCGFSZSA-N 2 2 289.345 3.326 20 0 CGADLP COC1(C[N@@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561438 381806476 /nfs/dbraw/zinc/80/64/76/381806476.db2.gz FGXRBZXWEYNIMD-ULQDDVLXSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[N@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561438 381806479 /nfs/dbraw/zinc/80/64/79/381806479.db2.gz FGXRBZXWEYNIMD-ULQDDVLXSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522229 382033994 /nfs/dbraw/zinc/03/39/94/382033994.db2.gz BCTNYNFJIWOQSX-BMIGLBTASA-N 2 2 282.790 3.051 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522229 382033999 /nfs/dbraw/zinc/03/39/99/382033999.db2.gz BCTNYNFJIWOQSX-BMIGLBTASA-N 2 2 282.790 3.051 20 0 CGADLP Cc1ccc(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)c[nH+]1 ZINC000363669356 382243887 /nfs/dbraw/zinc/24/38/87/382243887.db2.gz DMRWHABTNHHHER-UHFFFAOYSA-N 2 2 293.374 3.045 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000245941967 542324661 /nfs/dbraw/zinc/32/46/61/542324661.db2.gz JXFKBOZRDAWMAZ-KEYYUXOJSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000245941967 542324667 /nfs/dbraw/zinc/32/46/67/542324667.db2.gz JXFKBOZRDAWMAZ-KEYYUXOJSA-N 2 2 298.434 3.032 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000369359234 382388617 /nfs/dbraw/zinc/38/86/17/382388617.db2.gz QMGNHNBXWINDST-GFCCVEGCSA-N 2 2 298.415 3.414 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(F)(F)F)[nH+]1 ZINC000369898757 382400939 /nfs/dbraw/zinc/40/09/39/382400939.db2.gz BDHOUUPZDQZXCC-GFCCVEGCSA-N 2 2 287.329 3.219 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(F)(F)F)[nH+]1 ZINC000369898757 382400944 /nfs/dbraw/zinc/40/09/44/382400944.db2.gz BDHOUUPZDQZXCC-GFCCVEGCSA-N 2 2 287.329 3.219 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000251701634 542347614 /nfs/dbraw/zinc/34/76/14/542347614.db2.gz IZUJJQQHJBEJGE-BXUZGUMPSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000251701634 542347615 /nfs/dbraw/zinc/34/76/15/542347615.db2.gz IZUJJQQHJBEJGE-BXUZGUMPSA-N 2 2 297.240 3.008 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252919890 542351703 /nfs/dbraw/zinc/35/17/03/542351703.db2.gz FBFOMHSLJBKCOV-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252919890 542351708 /nfs/dbraw/zinc/35/17/08/542351708.db2.gz FBFOMHSLJBKCOV-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091318924 285028898 /nfs/dbraw/zinc/02/88/98/285028898.db2.gz ZCVWNENYDUHZBQ-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091318924 285028902 /nfs/dbraw/zinc/02/89/02/285028902.db2.gz ZCVWNENYDUHZBQ-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000163312816 285039415 /nfs/dbraw/zinc/03/94/15/285039415.db2.gz WKJDLWHURMOJGA-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000163312816 285039416 /nfs/dbraw/zinc/03/94/16/285039416.db2.gz WKJDLWHURMOJGA-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423386229 533000683 /nfs/dbraw/zinc/00/06/83/533000683.db2.gz JDRPQZFUMXBPKV-IAQYHMDHSA-N 2 2 266.816 3.379 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103575 533005547 /nfs/dbraw/zinc/00/55/47/533005547.db2.gz XALUPHHKOSUYRC-AAEUAGOBSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103575 533005552 /nfs/dbraw/zinc/00/55/52/533005552.db2.gz XALUPHHKOSUYRC-AAEUAGOBSA-N 2 2 287.432 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000335301546 208140600 /nfs/dbraw/zinc/14/06/00/208140600.db2.gz OLVFPXWLNQOOAL-GXFFZTMASA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000335301546 208140603 /nfs/dbraw/zinc/14/06/03/208140603.db2.gz OLVFPXWLNQOOAL-GXFFZTMASA-N 2 2 275.783 3.271 20 0 CGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000289424255 197340170 /nfs/dbraw/zinc/34/01/70/197340170.db2.gz CZBPOUQRTADFRD-CNELAYHGSA-N 2 2 298.377 3.231 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738155 220289440 /nfs/dbraw/zinc/28/94/40/220289440.db2.gz KQPLZEKOHKDSEC-OLZOCXBDSA-N 2 2 282.453 3.061 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738155 220289443 /nfs/dbraw/zinc/28/94/43/220289443.db2.gz KQPLZEKOHKDSEC-OLZOCXBDSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738155 220289445 /nfs/dbraw/zinc/28/94/45/220289445.db2.gz KQPLZEKOHKDSEC-OLZOCXBDSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738155 220289449 /nfs/dbraw/zinc/28/94/49/220289449.db2.gz KQPLZEKOHKDSEC-OLZOCXBDSA-N 2 2 282.453 3.061 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746777 220295307 /nfs/dbraw/zinc/29/53/07/220295307.db2.gz DCJVHRWFFRWOCX-NWDGAFQWSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746777 220295311 /nfs/dbraw/zinc/29/53/11/220295311.db2.gz DCJVHRWFFRWOCX-NWDGAFQWSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746777 220295313 /nfs/dbraw/zinc/29/53/13/220295313.db2.gz DCJVHRWFFRWOCX-NWDGAFQWSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746777 220295317 /nfs/dbraw/zinc/29/53/17/220295317.db2.gz DCJVHRWFFRWOCX-NWDGAFQWSA-N 2 2 270.804 3.238 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000289373365 197317657 /nfs/dbraw/zinc/31/76/57/197317657.db2.gz AOOMIHPWONSBHE-HZPDHXFCSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000281159919 195129620 /nfs/dbraw/zinc/12/96/20/195129620.db2.gz HCTXJOXMUTYYRT-ZACQAIPSSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000281159919 195129623 /nfs/dbraw/zinc/12/96/23/195129623.db2.gz HCTXJOXMUTYYRT-ZACQAIPSSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000289201903 197261664 /nfs/dbraw/zinc/26/16/64/197261664.db2.gz HTLDHANCHGRNSP-INIZCTEOSA-N 2 2 297.402 3.090 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000423509302 533116006 /nfs/dbraw/zinc/11/60/06/533116006.db2.gz JKOPYYSCIXWIQP-BDJLRTHQSA-N 2 2 280.387 3.002 20 0 CGADLP COc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)ccc1SC ZINC000359510589 533116830 /nfs/dbraw/zinc/11/68/30/533116830.db2.gz JIYXHGQZYBMJOD-CYBMUJFWSA-N 2 2 294.464 3.164 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)ccc1SC ZINC000423561054 533130624 /nfs/dbraw/zinc/13/06/24/533130624.db2.gz POPDETOYSTYOLX-GXTWGEPZSA-N 2 2 294.464 3.210 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1SC ZINC000423355355 533131399 /nfs/dbraw/zinc/13/13/99/533131399.db2.gz FFWKDXLSPAXOSH-SGMGOOAPSA-N 2 2 294.464 3.066 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccc3c(c2)CCO3)c[nH+]1 ZINC000354349050 220692250 /nfs/dbraw/zinc/69/22/50/220692250.db2.gz QSJPUMQFVKRZKN-UHFFFAOYSA-N 2 2 296.414 3.090 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328400483 542444704 /nfs/dbraw/zinc/44/47/04/542444704.db2.gz ZWTLONRVMWZUAN-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328400483 542444708 /nfs/dbraw/zinc/44/47/08/542444708.db2.gz ZWTLONRVMWZUAN-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000281387733 195220303 /nfs/dbraw/zinc/22/03/03/195220303.db2.gz XRMNDURITWYOLT-DLBZAZTESA-N 2 2 298.434 3.293 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061324766 285288388 /nfs/dbraw/zinc/28/83/88/285288388.db2.gz GNZSIOXYHCJOBC-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061324766 285288391 /nfs/dbraw/zinc/28/83/91/285288391.db2.gz GNZSIOXYHCJOBC-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459374948 285287611 /nfs/dbraw/zinc/28/76/11/285287611.db2.gz UHUZPOVMQKSKNX-ADKAHSJRSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459374948 285287612 /nfs/dbraw/zinc/28/76/12/285287612.db2.gz UHUZPOVMQKSKNX-ADKAHSJRSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H](CC[N@H+](C)Cc1ccco1)[NH+](C)Cc1ccco1 ZINC000348276599 542517103 /nfs/dbraw/zinc/51/71/03/542517103.db2.gz PGMOZTSYJHMALZ-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[N@@H+](C)Cc1ccco1)[NH+](C)Cc1ccco1 ZINC000348276599 542517106 /nfs/dbraw/zinc/51/71/06/542517106.db2.gz PGMOZTSYJHMALZ-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[NH+](C)Cc1ccco1)[N@H+](C)Cc1ccco1 ZINC000348276599 542517109 /nfs/dbraw/zinc/51/71/09/542517109.db2.gz PGMOZTSYJHMALZ-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[NH+](C)Cc1ccco1)[N@@H+](C)Cc1ccco1 ZINC000348276599 542517110 /nfs/dbraw/zinc/51/71/10/542517110.db2.gz PGMOZTSYJHMALZ-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@H]3C)ccc2c1 ZINC000423360864 533337075 /nfs/dbraw/zinc/33/70/75/533337075.db2.gz LRUKNXBMGLWVAH-BIENJYKASA-N 2 2 298.430 3.497 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423269221 533417292 /nfs/dbraw/zinc/41/72/92/533417292.db2.gz VQEFXMDMARHHDY-UONOGXRCSA-N 2 2 264.413 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccs1 ZINC000423415929 533424791 /nfs/dbraw/zinc/42/47/91/533424791.db2.gz FIMDFMNHEBURPC-DOMZBBRYSA-N 2 2 272.417 3.286 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414192054 533528033 /nfs/dbraw/zinc/52/80/33/533528033.db2.gz LUWUFRXVJBYHBK-XHBSWPGZSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414192054 533528040 /nfs/dbraw/zinc/52/80/40/533528040.db2.gz LUWUFRXVJBYHBK-XHBSWPGZSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000354887208 533639927 /nfs/dbraw/zinc/63/99/27/533639927.db2.gz BHYSLPAVWJYVKN-AWEZNQCLSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000354887208 533639944 /nfs/dbraw/zinc/63/99/44/533639944.db2.gz BHYSLPAVWJYVKN-AWEZNQCLSA-N 2 2 269.392 3.346 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485536 542608380 /nfs/dbraw/zinc/60/83/80/542608380.db2.gz YKXLYCLMKCDSGQ-WBVHZDCISA-N 2 2 290.451 3.090 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485536 542608385 /nfs/dbraw/zinc/60/83/85/542608385.db2.gz YKXLYCLMKCDSGQ-WBVHZDCISA-N 2 2 290.451 3.090 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389856401 542609734 /nfs/dbraw/zinc/60/97/34/542609734.db2.gz BIQIFDNSJHHXFZ-DNVCBOLYSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389856401 542609736 /nfs/dbraw/zinc/60/97/36/542609736.db2.gz BIQIFDNSJHHXFZ-DNVCBOLYSA-N 2 2 295.430 3.000 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350687 542637025 /nfs/dbraw/zinc/63/70/25/542637025.db2.gz UPYKUMCKBWHQNY-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350687 542637028 /nfs/dbraw/zinc/63/70/28/542637028.db2.gz UPYKUMCKBWHQNY-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]CC1(C)CCC1 ZINC000434752249 542655251 /nfs/dbraw/zinc/65/52/51/542655251.db2.gz ALJWOFPUJLBTFD-UHFFFAOYSA-N 2 2 271.408 3.286 20 0 CGADLP CC1(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CCC1 ZINC000434759470 542656213 /nfs/dbraw/zinc/65/62/13/542656213.db2.gz WCBVEYKTRNBIOF-UHFFFAOYSA-N 2 2 282.497 3.128 20 0 CGADLP Cc1ccc([C@H](C[NH2+]CC2(C)CCC2)[NH+](C)C)cc1 ZINC000434774411 542656961 /nfs/dbraw/zinc/65/69/61/542656961.db2.gz INCFOCCBSSDYKY-INIZCTEOSA-N 2 2 260.425 3.378 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246775947 131096753 /nfs/dbraw/zinc/09/67/53/131096753.db2.gz BRVMSASPLFXFFQ-QILLFSRXSA-N 2 2 299.418 3.074 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3C3CC3)CC2)[nH+]c1 ZINC000345073425 285481122 /nfs/dbraw/zinc/48/11/22/285481122.db2.gz XNBSNRPFCQEKNP-IRXDYDNUSA-N 2 2 285.435 3.219 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361972949 392378975 /nfs/dbraw/zinc/37/89/75/392378975.db2.gz VDJJYHVVEVBVET-GDBMZVCRSA-N 2 2 278.465 3.083 20 0 CGADLP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362026510 392391179 /nfs/dbraw/zinc/39/11/79/392391179.db2.gz MYAJPUQPRARDEK-SJLPKXTDSA-N 2 2 299.418 3.171 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436687 392476574 /nfs/dbraw/zinc/47/65/74/392476574.db2.gz HBKJECORIAGFKL-STQMWFEESA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000149369669 392480441 /nfs/dbraw/zinc/48/04/41/392480441.db2.gz PXHPAQDFQARQMI-YOEHRIQHSA-N 2 2 258.409 3.310 20 0 CGADLP Cc1cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000302448049 392615348 /nfs/dbraw/zinc/61/53/48/392615348.db2.gz NFKBQLBSDXNLHN-QGZVFWFLSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000302448049 392615352 /nfs/dbraw/zinc/61/53/52/392615352.db2.gz NFKBQLBSDXNLHN-QGZVFWFLSA-N 2 2 296.418 3.108 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177705629 392667728 /nfs/dbraw/zinc/66/77/28/392667728.db2.gz JYRLLHXGNVIBPS-QGZVFWFLSA-N 2 2 276.399 3.275 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCC(F)(F)CC1 ZINC000647283975 392635832 /nfs/dbraw/zinc/63/58/32/392635832.db2.gz VPWUOUGNQQIXIM-MRXNPFEDSA-N 2 2 296.405 3.327 20 0 CGADLP Cc1ccc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000374680148 392690956 /nfs/dbraw/zinc/69/09/56/392690956.db2.gz PGPADEOTCDTLDA-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP COc1ccc([C@H](CC(C)C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000647309422 392656690 /nfs/dbraw/zinc/65/66/90/392656690.db2.gz RISAJAGNONDDBJ-KRWDZBQOSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000177195315 392659412 /nfs/dbraw/zinc/65/94/12/392659412.db2.gz CQPTZOBJYVACQS-YOEHRIQHSA-N 2 2 258.409 3.212 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482906 392736484 /nfs/dbraw/zinc/73/64/84/392736484.db2.gz IIKLMTLSPKVVJZ-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482906 392736491 /nfs/dbraw/zinc/73/64/91/392736491.db2.gz IIKLMTLSPKVVJZ-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482445 392737465 /nfs/dbraw/zinc/73/74/65/392737465.db2.gz GDCKXSRGSUCOQX-UHFFFAOYSA-N 2 2 293.480 3.058 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482445 392737470 /nfs/dbraw/zinc/73/74/70/392737470.db2.gz GDCKXSRGSUCOQX-UHFFFAOYSA-N 2 2 293.480 3.058 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534014 392753727 /nfs/dbraw/zinc/75/37/27/392753727.db2.gz DOOAZFUWRNFWGA-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534014 392753735 /nfs/dbraw/zinc/75/37/35/392753735.db2.gz DOOAZFUWRNFWGA-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP CC[NH+](CC)CCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375333342 392769331 /nfs/dbraw/zinc/76/93/31/392769331.db2.gz GLKHDPJSRGTREN-UHFFFAOYSA-N 2 2 293.430 3.074 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)c1ccccc1OC(F)F ZINC000647549942 392763858 /nfs/dbraw/zinc/76/38/58/392763858.db2.gz YFDPDBYETXIAEE-BZPMIXESSA-N 2 2 298.377 3.327 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000647553549 392765605 /nfs/dbraw/zinc/76/56/05/392765605.db2.gz CPKXNGNVCJRVQG-QDLOVBKTSA-N 2 2 292.373 3.242 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc(F)cn3)cn21 ZINC000647363784 392707782 /nfs/dbraw/zinc/70/77/82/392707782.db2.gz JZHRIHMIMVWIIY-ZDUSSCGKSA-N 2 2 298.365 3.070 20 0 CGADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000647939621 392839206 /nfs/dbraw/zinc/83/92/06/392839206.db2.gz VATCWBSFFNLXBH-AWEZNQCLSA-N 2 2 287.432 3.270 20 0 CGADLP C[C@@H](CCSc1ccccc1)[N@H+]1CCn2c[nH+]cc2C1 ZINC000647939621 392839209 /nfs/dbraw/zinc/83/92/09/392839209.db2.gz VATCWBSFFNLXBH-AWEZNQCLSA-N 2 2 287.432 3.270 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000647802644 392803458 /nfs/dbraw/zinc/80/34/58/392803458.db2.gz RSTINRTUIIGMKZ-DLBZAZTESA-N 2 2 294.398 3.419 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000510697810 392810048 /nfs/dbraw/zinc/81/00/48/392810048.db2.gz VWQUXZOQZITUQT-AWEZNQCLSA-N 2 2 296.405 3.361 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335723772 392811288 /nfs/dbraw/zinc/81/12/88/392811288.db2.gz JFFZNVDOALMIFE-TZMCWYRMSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335723772 392811293 /nfs/dbraw/zinc/81/12/93/392811293.db2.gz JFFZNVDOALMIFE-TZMCWYRMSA-N 2 2 273.355 3.489 20 0 CGADLP CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647878527 392820933 /nfs/dbraw/zinc/82/09/33/392820933.db2.gz OJWBVIXVVZUWCM-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647878527 392820938 /nfs/dbraw/zinc/82/09/38/392820938.db2.gz OJWBVIXVVZUWCM-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C[N@@H+]1C1CC1 ZINC000337991049 392895377 /nfs/dbraw/zinc/89/53/77/392895377.db2.gz VWDBXIBRCZORKA-HOSILWTGSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C[N@H+]1C1CC1 ZINC000337991049 392895381 /nfs/dbraw/zinc/89/53/81/392895381.db2.gz VWDBXIBRCZORKA-HOSILWTGSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337989898 392895457 /nfs/dbraw/zinc/89/54/57/392895457.db2.gz RRWMBJRYWXTKTL-WTTBNOFXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337989898 392895462 /nfs/dbraw/zinc/89/54/62/392895462.db2.gz RRWMBJRYWXTKTL-WTTBNOFXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000336406252 392854317 /nfs/dbraw/zinc/85/43/17/392854317.db2.gz WTDSMXCWOXGKHC-LRDDRELGSA-N 2 2 257.381 3.042 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000336406252 392854319 /nfs/dbraw/zinc/85/43/19/392854319.db2.gz WTDSMXCWOXGKHC-LRDDRELGSA-N 2 2 257.381 3.042 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000337347566 392880673 /nfs/dbraw/zinc/88/06/73/392880673.db2.gz XRCRNLOCPOUXBD-AHCXZYCDSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[N@H+]1C1CC1 ZINC000337347566 392880678 /nfs/dbraw/zinc/88/06/78/392880678.db2.gz XRCRNLOCPOUXBD-AHCXZYCDSA-N 2 2 299.462 3.323 20 0 CGADLP CCc1nocc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000339291740 392953449 /nfs/dbraw/zinc/95/34/49/392953449.db2.gz WHCVFVUQIXQMAW-UHFFFAOYSA-N 2 2 291.439 3.124 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772257 392955635 /nfs/dbraw/zinc/95/56/35/392955635.db2.gz HWPHTJXOUOSASR-FXUDXRNXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772257 392955639 /nfs/dbraw/zinc/95/56/39/392955639.db2.gz HWPHTJXOUOSASR-FXUDXRNXSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC000339488341 392956065 /nfs/dbraw/zinc/95/60/65/392956065.db2.gz ZRMWLTVDSSMXBG-SQWLQELKSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC000339488341 392956069 /nfs/dbraw/zinc/95/60/69/392956069.db2.gz ZRMWLTVDSSMXBG-SQWLQELKSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339488334 392956176 /nfs/dbraw/zinc/95/61/76/392956176.db2.gz ZRMWLTVDSSMXBG-DZKIICNBSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339488334 392956179 /nfs/dbraw/zinc/95/61/79/392956179.db2.gz ZRMWLTVDSSMXBG-DZKIICNBSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccon1 ZINC000340355424 392970119 /nfs/dbraw/zinc/97/01/19/392970119.db2.gz RHWIPWDDLRJXII-QRTARXTBSA-N 2 2 285.391 3.161 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccon1 ZINC000340355424 392970122 /nfs/dbraw/zinc/97/01/22/392970122.db2.gz RHWIPWDDLRJXII-QRTARXTBSA-N 2 2 285.391 3.161 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000546077851 393030519 /nfs/dbraw/zinc/03/05/19/393030519.db2.gz SIBWFMDNIXZMQJ-DOMZBBRYSA-N 2 2 285.391 3.154 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000648366966 392984746 /nfs/dbraw/zinc/98/47/46/392984746.db2.gz ZNHFMVSITBOBOS-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000648366966 392984750 /nfs/dbraw/zinc/98/47/50/392984750.db2.gz ZNHFMVSITBOBOS-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)CCO1 ZINC000648416006 393005956 /nfs/dbraw/zinc/00/59/56/393005956.db2.gz DEMVMEATVBBQII-KZNAEPCWSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000545865627 393010543 /nfs/dbraw/zinc/01/05/43/393010543.db2.gz NSUPSSNJGAVPSJ-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000545865627 393010550 /nfs/dbraw/zinc/01/05/50/393010550.db2.gz NSUPSSNJGAVPSJ-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000648438439 393015980 /nfs/dbraw/zinc/01/59/80/393015980.db2.gz HIWSRKAMNKNIAO-KZNAEPCWSA-N 2 2 290.451 3.145 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000648524193 393083986 /nfs/dbraw/zinc/08/39/86/393083986.db2.gz QSYRMTQQRWSHQL-DDBAPUKQSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936046 393084177 /nfs/dbraw/zinc/08/41/77/393084177.db2.gz OHYYMLWBBJZQHD-DEYYWGMASA-N 2 2 272.436 3.166 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936046 393084182 /nfs/dbraw/zinc/08/41/82/393084182.db2.gz OHYYMLWBBJZQHD-DEYYWGMASA-N 2 2 272.436 3.166 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415042133 393109110 /nfs/dbraw/zinc/10/91/10/393109110.db2.gz MDINIMYDEAYIBE-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415042133 393109120 /nfs/dbraw/zinc/10/91/20/393109120.db2.gz MDINIMYDEAYIBE-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC000347350610 393102921 /nfs/dbraw/zinc/10/29/21/393102921.db2.gz WZTNKVARARQZAW-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C)CC1 ZINC000347350610 393102925 /nfs/dbraw/zinc/10/29/25/393102925.db2.gz WZTNKVARARQZAW-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)CCC2 ZINC000344516194 393044288 /nfs/dbraw/zinc/04/42/88/393044288.db2.gz PGBHTFWEMYWGEV-QEJZJMRPSA-N 2 2 261.413 3.237 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414749634 393054348 /nfs/dbraw/zinc/05/43/48/393054348.db2.gz WKTKMDINQYFPOH-STQMWFEESA-N 2 2 282.378 3.128 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000414749634 393054352 /nfs/dbraw/zinc/05/43/52/393054352.db2.gz WKTKMDINQYFPOH-STQMWFEESA-N 2 2 282.378 3.128 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414949536 393058087 /nfs/dbraw/zinc/05/80/87/393058087.db2.gz ZUGPZDLCGMLPDY-NSHDSACASA-N 2 2 292.329 3.194 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546575118 393059180 /nfs/dbraw/zinc/05/91/80/393059180.db2.gz HEZVSXRGHMEGPO-SFHVURJKSA-N 2 2 272.436 3.249 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546575118 393059185 /nfs/dbraw/zinc/05/91/85/393059185.db2.gz HEZVSXRGHMEGPO-SFHVURJKSA-N 2 2 272.436 3.249 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415036938 393107454 /nfs/dbraw/zinc/10/74/54/393107454.db2.gz KRHBQDNVSVBIJE-MRXNPFEDSA-N 2 2 276.424 3.096 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414965168 393069063 /nfs/dbraw/zinc/06/90/63/393069063.db2.gz ZGDZPLDIMLMKJL-WFASDCNBSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000252425595 393122337 /nfs/dbraw/zinc/12/23/37/393122337.db2.gz ONFXZTXXOUVNQE-VYDXJSESSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349250663 393143040 /nfs/dbraw/zinc/14/30/40/393143040.db2.gz ZPSUNPMQBYFOOF-CPUCHLNUSA-N 2 2 270.420 3.370 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000349250663 393143047 /nfs/dbraw/zinc/14/30/47/393143047.db2.gz ZPSUNPMQBYFOOF-CPUCHLNUSA-N 2 2 270.420 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000415103967 393147029 /nfs/dbraw/zinc/14/70/29/393147029.db2.gz DHOGQWPJAOFFNH-VHSSKADRSA-N 2 2 299.393 3.365 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000268763509 393203218 /nfs/dbraw/zinc/20/32/18/393203218.db2.gz MMNUIABOUMEXBK-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000268763509 393203222 /nfs/dbraw/zinc/20/32/22/393203222.db2.gz MMNUIABOUMEXBK-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@@H+]1CCn1cc[nH+]c1C ZINC000274494267 393287006 /nfs/dbraw/zinc/28/70/06/393287006.db2.gz RIWBWLLQLWYDNY-KRWDZBQOSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1CCn1cc[nH+]c1C ZINC000274494267 393287013 /nfs/dbraw/zinc/28/70/13/393287013.db2.gz RIWBWLLQLWYDNY-KRWDZBQOSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1cc(N(C)CC[NH+](C(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC000355587938 393332964 /nfs/dbraw/zinc/33/29/64/393332964.db2.gz SIWMDVCKWFFDIE-UHFFFAOYSA-N 2 2 292.471 3.463 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211420 393389261 /nfs/dbraw/zinc/38/92/61/393389261.db2.gz QZOGSCNHTNVWBX-GDBMZVCRSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211420 393389265 /nfs/dbraw/zinc/38/92/65/393389265.db2.gz QZOGSCNHTNVWBX-GDBMZVCRSA-N 2 2 276.399 3.131 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647170708 393366773 /nfs/dbraw/zinc/36/67/73/393366773.db2.gz KRDQHLOHGORILB-CYBMUJFWSA-N 2 2 262.388 3.130 20 0 CGADLP FC1(F)CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000647171023 393367066 /nfs/dbraw/zinc/36/70/66/393367066.db2.gz XYOUGYFGEMIZRE-UHFFFAOYSA-N 2 2 279.334 3.044 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@H]1[NH3+] ZINC000649416888 393417008 /nfs/dbraw/zinc/41/70/08/393417008.db2.gz OXMRAMIBGDECCX-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@H]1[NH3+] ZINC000649416888 393417011 /nfs/dbraw/zinc/41/70/11/393417011.db2.gz OXMRAMIBGDECCX-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP CCC(CC)C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262189 393421376 /nfs/dbraw/zinc/42/13/76/393421376.db2.gz JCJPEDSCAJYZIS-UHFFFAOYSA-N 2 2 259.397 3.211 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000420319356 393463664 /nfs/dbraw/zinc/46/36/64/393463664.db2.gz PHWTVCZDIXUIMI-CYBMUJFWSA-N 2 2 254.377 3.151 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000420319356 393463669 /nfs/dbraw/zinc/46/36/69/393463669.db2.gz PHWTVCZDIXUIMI-CYBMUJFWSA-N 2 2 254.377 3.151 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000420399467 393483150 /nfs/dbraw/zinc/48/31/50/393483150.db2.gz HYKAJOOKPGPMGH-TZMCWYRMSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000420399467 393483154 /nfs/dbraw/zinc/48/31/54/393483154.db2.gz HYKAJOOKPGPMGH-TZMCWYRMSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCOc1cccc2ccccc21 ZINC000420349400 393472973 /nfs/dbraw/zinc/47/29/73/393472973.db2.gz CUHZPCOYZNEGEB-YOEHRIQHSA-N 2 2 284.403 3.030 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCOc1cccc2ccccc21 ZINC000420349400 393472979 /nfs/dbraw/zinc/47/29/79/393472979.db2.gz CUHZPCOYZNEGEB-YOEHRIQHSA-N 2 2 284.403 3.030 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488426390 393508438 /nfs/dbraw/zinc/50/84/38/393508438.db2.gz IGSMBRMZHWVDJD-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488448956 393518519 /nfs/dbraw/zinc/51/85/19/393518519.db2.gz MLWCKUFDYJYZCG-ILXRZTDVSA-N 2 2 286.529 3.473 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC34CCCC4)cc2)c[nH+]1 ZINC000649657362 393527333 /nfs/dbraw/zinc/52/73/33/393527333.db2.gz XKJVTLGOPJUUAU-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC34CCCC4)cc2)c[nH+]1 ZINC000649657362 393527339 /nfs/dbraw/zinc/52/73/39/393527339.db2.gz XKJVTLGOPJUUAU-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP C[C@@H]1C[C@H](C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966731 393568281 /nfs/dbraw/zinc/56/82/81/393568281.db2.gz ANOPLUWUHWDPRK-IAGOWNOFSA-N 2 2 296.499 3.388 20 0 CGADLP C[C@@H]1C[C@H](C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966731 393568284 /nfs/dbraw/zinc/56/82/84/393568284.db2.gz ANOPLUWUHWDPRK-IAGOWNOFSA-N 2 2 296.499 3.388 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000430721746 393591019 /nfs/dbraw/zinc/59/10/19/393591019.db2.gz CTCSOGREHLZBSK-RRFJBIMHSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000361120697 393680510 /nfs/dbraw/zinc/68/05/10/393680510.db2.gz CKRPRUJKSYIUPB-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085790 393631987 /nfs/dbraw/zinc/63/19/87/393631987.db2.gz FTXNLXFIDSDIEE-MAUKXSAKSA-N 2 2 283.419 3.378 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085790 393631989 /nfs/dbraw/zinc/63/19/89/393631989.db2.gz FTXNLXFIDSDIEE-MAUKXSAKSA-N 2 2 283.419 3.378 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1Br ZINC000423282409 393659584 /nfs/dbraw/zinc/65/95/84/393659584.db2.gz VZCYUCBYPDBCRJ-ZIAGYGMSSA-N 2 2 299.256 3.473 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423374471 393663868 /nfs/dbraw/zinc/66/38/68/393663868.db2.gz WWLOKOUIFSQSRZ-CQDKDKBSSA-N 2 2 298.377 3.327 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423475122 393670310 /nfs/dbraw/zinc/67/03/10/393670310.db2.gz RODCVIJJXRIZKK-GXTWGEPZSA-N 2 2 260.381 3.438 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423570734 393673430 /nfs/dbraw/zinc/67/34/30/393673430.db2.gz XAZQHXVOXQYCER-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491384526 393684857 /nfs/dbraw/zinc/68/48/57/393684857.db2.gz TYRIFUNAOICUMH-OAHLLOKOSA-N 2 2 299.462 3.265 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000441509149 393737347 /nfs/dbraw/zinc/73/73/47/393737347.db2.gz LJQXQRBSUOHHKX-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(C)(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000441509149 393737350 /nfs/dbraw/zinc/73/73/50/393737350.db2.gz LJQXQRBSUOHHKX-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000433231502 393701781 /nfs/dbraw/zinc/70/17/81/393701781.db2.gz KJQGSVXBDSMWDO-CJNGLKHVSA-N 2 2 260.425 3.456 20 0 CGADLP c1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501868167 393863512 /nfs/dbraw/zinc/86/35/12/393863512.db2.gz BPIASSPKEZMDME-QZTJIDSGSA-N 2 2 272.436 3.398 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000449283842 393877451 /nfs/dbraw/zinc/87/74/51/393877451.db2.gz MUVFSRFRTWHINP-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000449283842 393877456 /nfs/dbraw/zinc/87/74/56/393877456.db2.gz MUVFSRFRTWHINP-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c[nH+]1 ZINC000449540306 393890298 /nfs/dbraw/zinc/89/02/98/393890298.db2.gz MPQBKAJTQXMIHP-ZWKOTPCHSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c[nH+]1 ZINC000449540306 393890300 /nfs/dbraw/zinc/89/03/00/393890300.db2.gz MPQBKAJTQXMIHP-ZWKOTPCHSA-N 2 2 270.420 3.443 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)CC1 ZINC000450301341 393994073 /nfs/dbraw/zinc/99/40/73/393994073.db2.gz VGYKBPGKNCHULW-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)CC1 ZINC000450301341 393994076 /nfs/dbraw/zinc/99/40/76/393994076.db2.gz VGYKBPGKNCHULW-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000450301341 393994080 /nfs/dbraw/zinc/99/40/80/393994080.db2.gz VGYKBPGKNCHULW-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C)CC1 ZINC000450301341 393994082 /nfs/dbraw/zinc/99/40/82/393994082.db2.gz VGYKBPGKNCHULW-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP Fc1ccc(C2=CC[N@H+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667490644 542875869 /nfs/dbraw/zinc/87/58/69/542875869.db2.gz KBAHZLSLVSURTP-UHFFFAOYSA-N 2 2 297.377 3.258 20 0 CGADLP Fc1ccc(C2=CC[N@@H+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667490644 542875871 /nfs/dbraw/zinc/87/58/71/542875871.db2.gz KBAHZLSLVSURTP-UHFFFAOYSA-N 2 2 297.377 3.258 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2sccc21 ZINC000453206874 394205121 /nfs/dbraw/zinc/20/51/21/394205121.db2.gz VMOKCEMYTXYORB-DYEKYZERSA-N 2 2 287.432 3.488 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453463955 394248017 /nfs/dbraw/zinc/24/80/17/394248017.db2.gz XTSAQMKANOCPRR-BFJAYTPKSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000453463955 394248020 /nfs/dbraw/zinc/24/80/20/394248020.db2.gz XTSAQMKANOCPRR-BFJAYTPKSA-N 2 2 250.430 3.026 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667487743 542876445 /nfs/dbraw/zinc/87/64/45/542876445.db2.gz IYKBSLCBHDTPJK-SFHVURJKSA-N 2 2 299.418 3.464 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667487743 542876448 /nfs/dbraw/zinc/87/64/48/542876448.db2.gz IYKBSLCBHDTPJK-SFHVURJKSA-N 2 2 299.418 3.464 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000667543329 542887120 /nfs/dbraw/zinc/88/71/20/542887120.db2.gz XJQDOWFUNSFNGH-INIZCTEOSA-N 2 2 287.382 3.075 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641740 542902980 /nfs/dbraw/zinc/90/29/80/542902980.db2.gz BVCREJLQUYQEAW-AWEZNQCLSA-N 2 2 275.440 3.478 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641740 542902985 /nfs/dbraw/zinc/90/29/85/542902985.db2.gz BVCREJLQUYQEAW-AWEZNQCLSA-N 2 2 275.440 3.478 20 0 CGADLP CCC[C@@]1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651860 542906691 /nfs/dbraw/zinc/90/66/91/542906691.db2.gz LAKNSFXXXFZJDS-INIZCTEOSA-N 2 2 261.413 3.232 20 0 CGADLP CCC[C@@]1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651860 542906694 /nfs/dbraw/zinc/90/66/94/542906694.db2.gz LAKNSFXXXFZJDS-INIZCTEOSA-N 2 2 261.413 3.232 20 0 CGADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676436 542915203 /nfs/dbraw/zinc/91/52/03/542915203.db2.gz PEGXDSWYAXETPZ-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676436 542915205 /nfs/dbraw/zinc/91/52/05/542915205.db2.gz PEGXDSWYAXETPZ-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)n1C ZINC000667658892 542909320 /nfs/dbraw/zinc/90/93/20/542909320.db2.gz UKSUNMNSVCLAIT-GOEBONIOSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)n1C ZINC000667658892 542909321 /nfs/dbraw/zinc/90/93/21/542909321.db2.gz UKSUNMNSVCLAIT-GOEBONIOSA-N 2 2 283.419 3.415 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+]1CCCC[C@H]1C ZINC000667783929 542928286 /nfs/dbraw/zinc/92/82/86/542928286.db2.gz BLXXJBDTTCGFSH-LEOABGAYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+]1CCCC[C@H]1C ZINC000667783929 542928288 /nfs/dbraw/zinc/92/82/88/542928288.db2.gz BLXXJBDTTCGFSH-LEOABGAYSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc21 ZINC000667947397 542948746 /nfs/dbraw/zinc/94/87/46/542948746.db2.gz OSCSLJMBIPEROV-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc21 ZINC000667947397 542948748 /nfs/dbraw/zinc/94/87/48/542948748.db2.gz OSCSLJMBIPEROV-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc21 ZINC000667947397 542948750 /nfs/dbraw/zinc/94/87/50/542948750.db2.gz OSCSLJMBIPEROV-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc21 ZINC000667947397 542948753 /nfs/dbraw/zinc/94/87/53/542948753.db2.gz OSCSLJMBIPEROV-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc21 ZINC000667947400 542948978 /nfs/dbraw/zinc/94/89/78/542948978.db2.gz OSCSLJMBIPEROV-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)cc21 ZINC000667947400 542948979 /nfs/dbraw/zinc/94/89/79/542948979.db2.gz OSCSLJMBIPEROV-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc21 ZINC000667947400 542948980 /nfs/dbraw/zinc/94/89/80/542948980.db2.gz OSCSLJMBIPEROV-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc21 ZINC000667947400 542948982 /nfs/dbraw/zinc/94/89/82/542948982.db2.gz OSCSLJMBIPEROV-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000668235540 542995177 /nfs/dbraw/zinc/99/51/77/542995177.db2.gz NKPUIIGNTPVJIY-QZTJIDSGSA-N 2 2 283.419 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)n1C ZINC000668291069 543002829 /nfs/dbraw/zinc/00/28/29/543002829.db2.gz DJDGBUHCZDWCRX-LBPRGKRZSA-N 2 2 287.382 3.029 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)n1C ZINC000668291069 543002831 /nfs/dbraw/zinc/00/28/31/543002831.db2.gz DJDGBUHCZDWCRX-LBPRGKRZSA-N 2 2 287.382 3.029 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668431078 543012548 /nfs/dbraw/zinc/01/25/48/543012548.db2.gz VUZVUIOSKIUHPM-GOEBONIOSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000668431078 543012550 /nfs/dbraw/zinc/01/25/50/543012550.db2.gz VUZVUIOSKIUHPM-GOEBONIOSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459412 543015056 /nfs/dbraw/zinc/01/50/56/543015056.db2.gz UCCRXKOZYXNYLT-HOCLYGCPSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459412 543015057 /nfs/dbraw/zinc/01/50/57/543015057.db2.gz UCCRXKOZYXNYLT-HOCLYGCPSA-N 2 2 290.451 3.176 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC3(CCCC3)CC2)n1C ZINC000668478877 543017964 /nfs/dbraw/zinc/01/79/64/543017964.db2.gz RDAINNQYCUFAEN-UHFFFAOYSA-N 2 2 290.455 3.032 20 0 CGADLP CCC[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668540047 543024816 /nfs/dbraw/zinc/02/48/16/543024816.db2.gz VCODPNVVEUJKCI-KRWDZBQOSA-N 2 2 260.425 3.064 20 0 CGADLP CCC[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668540047 543024819 /nfs/dbraw/zinc/02/48/19/543024819.db2.gz VCODPNVVEUJKCI-KRWDZBQOSA-N 2 2 260.425 3.064 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CCF)C2)c[nH+]1 ZINC000668593181 543032059 /nfs/dbraw/zinc/03/20/59/543032059.db2.gz XUSNGRYCZCIMTN-INIZCTEOSA-N 2 2 264.388 3.394 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CCF)C2)c[nH+]1 ZINC000668593181 543032061 /nfs/dbraw/zinc/03/20/61/543032061.db2.gz XUSNGRYCZCIMTN-INIZCTEOSA-N 2 2 264.388 3.394 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683342 543044147 /nfs/dbraw/zinc/04/41/47/543044147.db2.gz VLCRYCSCCLYVJK-MLGOLLRUSA-N 2 2 282.378 3.142 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683342 543044150 /nfs/dbraw/zinc/04/41/50/543044150.db2.gz VLCRYCSCCLYVJK-MLGOLLRUSA-N 2 2 282.378 3.142 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C(C)(C)C2(F)F)c[nH+]1 ZINC000668679992 543044901 /nfs/dbraw/zinc/04/49/01/543044901.db2.gz UWCNQRJPPHFYPS-CYBMUJFWSA-N 2 2 268.351 3.204 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)[C@@H](C)O)c[nH+]1 ZINC000668787931 543061317 /nfs/dbraw/zinc/06/13/17/543061317.db2.gz FLYXEKAEJNXCHN-QAPCUYQASA-N 2 2 284.403 3.034 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](c2ccccc2)[C@H](C)O)c[nH+]1 ZINC000668787929 543061581 /nfs/dbraw/zinc/06/15/81/543061581.db2.gz FLYXEKAEJNXCHN-MAUKXSAKSA-N 2 2 284.403 3.034 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000550886662 289088590 /nfs/dbraw/zinc/08/85/90/289088590.db2.gz PPJMOFVSKWWXMY-CVEARBPZSA-N 2 2 250.430 3.195 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000672614912 543220036 /nfs/dbraw/zinc/22/00/36/543220036.db2.gz RBDCNJJCOGHIBC-ILXRZTDVSA-N 2 2 294.389 3.283 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000672614912 543220038 /nfs/dbraw/zinc/22/00/38/543220038.db2.gz RBDCNJJCOGHIBC-ILXRZTDVSA-N 2 2 294.389 3.283 20 0 CGADLP C[N@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000674063487 543265616 /nfs/dbraw/zinc/26/56/16/543265616.db2.gz CMBCOAIBPZMRNO-UHFFFAOYSA-N 2 2 298.434 3.318 20 0 CGADLP C[N@@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)Cc1ccccc1 ZINC000674063487 543265618 /nfs/dbraw/zinc/26/56/18/543265618.db2.gz CMBCOAIBPZMRNO-UHFFFAOYSA-N 2 2 298.434 3.318 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000044685512 397619625 /nfs/dbraw/zinc/61/96/25/397619625.db2.gz IGMDDZZGCCBGML-WCQYABFASA-N 2 2 264.438 3.252 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000044685512 397619627 /nfs/dbraw/zinc/61/96/27/397619627.db2.gz IGMDDZZGCCBGML-WCQYABFASA-N 2 2 264.438 3.252 20 0 CGADLP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000649794873 397721819 /nfs/dbraw/zinc/72/18/19/397721819.db2.gz WMRAADWDLUWGGP-INIZCTEOSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1ccccc1C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000649794873 397721823 /nfs/dbraw/zinc/72/18/23/397721823.db2.gz WMRAADWDLUWGGP-INIZCTEOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@@H+]1C1CC1 ZINC000308768310 397681715 /nfs/dbraw/zinc/68/17/15/397681715.db2.gz IFLHKOLPYIVPGD-UKRRQHHQSA-N 2 2 262.441 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@H+]1C1CC1 ZINC000308768310 397681718 /nfs/dbraw/zinc/68/17/18/397681718.db2.gz IFLHKOLPYIVPGD-UKRRQHHQSA-N 2 2 262.441 3.338 20 0 CGADLP CC(C)N(C)c1ccc(CNc2ccc3[nH]c[nH+]c3c2)c[nH+]1 ZINC000419727281 397700101 /nfs/dbraw/zinc/70/01/01/397700101.db2.gz KXCQVLCPTTXFIK-UHFFFAOYSA-N 2 2 295.390 3.415 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000421800471 292147385 /nfs/dbraw/zinc/14/73/85/292147385.db2.gz HKWPYHRZBISIFQ-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675765682 543361896 /nfs/dbraw/zinc/36/18/96/543361896.db2.gz FHSZGGCRMXGNMP-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675765682 543361898 /nfs/dbraw/zinc/36/18/98/543361898.db2.gz FHSZGGCRMXGNMP-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766837 543362602 /nfs/dbraw/zinc/36/26/02/543362602.db2.gz PTUOQAYDLSPUNX-DZGCQCFKSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766837 543362604 /nfs/dbraw/zinc/36/26/04/543362604.db2.gz PTUOQAYDLSPUNX-DZGCQCFKSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675743632 543360259 /nfs/dbraw/zinc/36/02/59/543360259.db2.gz LOQAOILXVJMUAR-KGLIPLIRSA-N 2 2 266.454 3.143 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675833192 543367544 /nfs/dbraw/zinc/36/75/44/543367544.db2.gz GZUFOSFRPQSUDZ-CRAIPNDOSA-N 2 2 284.447 3.483 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675833192 543367547 /nfs/dbraw/zinc/36/75/47/543367547.db2.gz GZUFOSFRPQSUDZ-CRAIPNDOSA-N 2 2 284.447 3.483 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000675893199 543371064 /nfs/dbraw/zinc/37/10/64/543371064.db2.gz ANHJXTQYLHDHBG-BFYDXBDKSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000675893199 543371067 /nfs/dbraw/zinc/37/10/67/543371067.db2.gz ANHJXTQYLHDHBG-BFYDXBDKSA-N 2 2 272.436 3.313 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749002 543463260 /nfs/dbraw/zinc/46/32/60/543463260.db2.gz GCGRRKQVNVONFH-MRXNPFEDSA-N 2 2 258.409 3.182 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000677749002 543463262 /nfs/dbraw/zinc/46/32/62/543463262.db2.gz GCGRRKQVNVONFH-MRXNPFEDSA-N 2 2 258.409 3.182 20 0 CGADLP CC(C)C[N@@H+](CCc1ccc(F)cc1)CCn1cc[nH+]c1 ZINC000677982900 543475063 /nfs/dbraw/zinc/47/50/63/543475063.db2.gz XTRATIAPDVUPDD-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC(C)C[N@H+](CCc1ccc(F)cc1)CCn1cc[nH+]c1 ZINC000677982900 543475064 /nfs/dbraw/zinc/47/50/64/543475064.db2.gz XTRATIAPDVUPDD-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP C[N@@H+](Cc1cscc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000678153085 543488956 /nfs/dbraw/zinc/48/89/56/543488956.db2.gz ALALDWRFCZIBHZ-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1cscc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000678153085 543488957 /nfs/dbraw/zinc/48/89/57/543488957.db2.gz ALALDWRFCZIBHZ-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cscc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153085 543488960 /nfs/dbraw/zinc/48/89/60/543488960.db2.gz ALALDWRFCZIBHZ-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cscc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153085 543488961 /nfs/dbraw/zinc/48/89/61/543488961.db2.gz ALALDWRFCZIBHZ-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235453 543498239 /nfs/dbraw/zinc/49/82/39/543498239.db2.gz UHDLSTHNLBGBOD-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235453 543498240 /nfs/dbraw/zinc/49/82/40/543498240.db2.gz UHDLSTHNLBGBOD-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000678234777 543498641 /nfs/dbraw/zinc/49/86/41/543498641.db2.gz KZCIRCYBYFOBMM-KURKYZTESA-N 2 2 281.403 3.324 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000678234777 543498644 /nfs/dbraw/zinc/49/86/44/543498644.db2.gz KZCIRCYBYFOBMM-KURKYZTESA-N 2 2 281.403 3.324 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[N@H+](C)C1CC1 ZINC000678769594 543554892 /nfs/dbraw/zinc/55/48/92/543554892.db2.gz WQLWBUYMCKOPCK-GLJUWKHASA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000678769594 543554894 /nfs/dbraw/zinc/55/48/94/543554894.db2.gz WQLWBUYMCKOPCK-GLJUWKHASA-N 2 2 272.436 3.382 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC000423192669 292260677 /nfs/dbraw/zinc/26/06/77/292260677.db2.gz QBMDUVXSBJLXLI-GDBMZVCRSA-N 2 2 262.397 3.161 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423096686 286733240 /nfs/dbraw/zinc/73/32/40/286733240.db2.gz IBMMWKVWCSTIHP-SCRDCRAPSA-N 2 2 264.438 3.200 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125028818 286850842 /nfs/dbraw/zinc/85/08/42/286850842.db2.gz DKGYXCSPQBZXIC-ZWKOTPCHSA-N 2 2 290.451 3.147 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000020127008 287027342 /nfs/dbraw/zinc/02/73/42/287027342.db2.gz OSROWKOAPOCYFZ-GFCCVEGCSA-N 2 2 286.341 3.452 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(F)c1F ZINC000342197235 287029912 /nfs/dbraw/zinc/02/99/12/287029912.db2.gz TWGVHRMXURJQJZ-OLZOCXBDSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(F)c1F ZINC000342197235 287029914 /nfs/dbraw/zinc/02/99/14/287029914.db2.gz TWGVHRMXURJQJZ-OLZOCXBDSA-N 2 2 282.378 3.490 20 0 CGADLP CSCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000076764641 287035531 /nfs/dbraw/zinc/03/55/31/287035531.db2.gz OQHALJLHDQHZJC-UHFFFAOYSA-N 2 2 275.421 3.105 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1Cl ZINC000088781125 287087902 /nfs/dbraw/zinc/08/79/02/287087902.db2.gz DEEBOTJFIYYLQZ-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1Cl ZINC000088781125 287087905 /nfs/dbraw/zinc/08/79/05/287087905.db2.gz DEEBOTJFIYYLQZ-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000080279265 165153301 /nfs/dbraw/zinc/15/33/01/165153301.db2.gz OFERSJUOZCPTCC-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nccs1 ZINC000080279265 165153302 /nfs/dbraw/zinc/15/33/02/165153302.db2.gz OFERSJUOZCPTCC-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nccs1 ZINC000086508070 165183920 /nfs/dbraw/zinc/18/39/20/165183920.db2.gz LWUPZNSNURQFSH-SNVBAGLBSA-N 2 2 267.442 3.103 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000089552811 165209733 /nfs/dbraw/zinc/20/97/33/165209733.db2.gz CYEZEPRZUABFMX-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP CCCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092128660 165283170 /nfs/dbraw/zinc/28/31/70/165283170.db2.gz DMADHOUGGPWXQH-UHFFFAOYSA-N 2 2 257.381 3.461 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000430702648 287108030 /nfs/dbraw/zinc/10/80/30/287108030.db2.gz ZNJBFWRVIDNDIN-CLBVLKOUSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000430702648 287108033 /nfs/dbraw/zinc/10/80/33/287108033.db2.gz ZNJBFWRVIDNDIN-CLBVLKOUSA-N 2 2 264.457 3.416 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])on2)cc1 ZINC000261953428 165842578 /nfs/dbraw/zinc/84/25/78/165842578.db2.gz NLFAZHAIUBEBBA-RDTXWAMCSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])on2)cc1 ZINC000261953428 165842580 /nfs/dbraw/zinc/84/25/80/165842580.db2.gz NLFAZHAIUBEBBA-RDTXWAMCSA-N 2 2 299.418 3.209 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000019943248 170934895 /nfs/dbraw/zinc/93/48/95/170934895.db2.gz GRTBPIHQKYWNPX-AWEZNQCLSA-N 2 2 294.439 3.086 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccccn1 ZINC000020186663 171050859 /nfs/dbraw/zinc/05/08/59/171050859.db2.gz ROBXWZVTDXCDAY-CYBMUJFWSA-N 2 2 280.375 3.091 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C)cc1 ZINC000020506191 171228526 /nfs/dbraw/zinc/22/85/26/171228526.db2.gz YUAPRGIWZXLQPF-MRXNPFEDSA-N 2 2 257.381 3.323 20 0 CGADLP C[NH+]1CCC([NH2+][C@H](c2ccco2)c2ccccc2)CC1 ZINC000037249236 173061180 /nfs/dbraw/zinc/06/11/80/173061180.db2.gz XWMPEEFPPCAKTM-KRWDZBQOSA-N 2 2 270.376 3.053 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)[NH+](C)C ZINC000038087783 174100418 /nfs/dbraw/zinc/10/04/18/174100418.db2.gz OLIDWQFKYOKLEB-HIFPTAJRSA-N 2 2 266.816 3.126 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000040500746 174297071 /nfs/dbraw/zinc/29/70/71/174297071.db2.gz PIGVOWLNPNEAKC-JKSUJKDBSA-N 2 2 271.408 3.191 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000071142046 176040036 /nfs/dbraw/zinc/04/00/36/176040036.db2.gz UEYKXRAETNUKIM-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000071142046 176040037 /nfs/dbraw/zinc/04/00/37/176040037.db2.gz UEYKXRAETNUKIM-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000071315024 176121398 /nfs/dbraw/zinc/12/13/98/176121398.db2.gz VBMLYMWCBPDQPG-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000071315024 176121400 /nfs/dbraw/zinc/12/14/00/176121400.db2.gz VBMLYMWCBPDQPG-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000063188570 416487369 /nfs/dbraw/zinc/48/73/69/416487369.db2.gz QJJIRTXYLFQARD-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000063188570 416487372 /nfs/dbraw/zinc/48/73/72/416487372.db2.gz QJJIRTXYLFQARD-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1sc2ccccc2c1Cl ZINC000123291010 416506151 /nfs/dbraw/zinc/50/61/51/416506151.db2.gz NVADLHHDHRKKIW-UHFFFAOYSA-N 2 2 268.813 3.335 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1sc2ccccc2c1Cl ZINC000123291010 416506153 /nfs/dbraw/zinc/50/61/53/416506153.db2.gz NVADLHHDHRKKIW-UHFFFAOYSA-N 2 2 268.813 3.335 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679216027 543600410 /nfs/dbraw/zinc/60/04/10/543600410.db2.gz RPPSFQURFIYBOH-KGLIPLIRSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679216027 543600414 /nfs/dbraw/zinc/60/04/14/543600414.db2.gz RPPSFQURFIYBOH-KGLIPLIRSA-N 2 2 296.374 3.422 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000679339391 543622838 /nfs/dbraw/zinc/62/28/38/543622838.db2.gz JFRBSQOIDKABJD-LXZKKBNFSA-N 2 2 298.434 3.204 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000679339391 543622839 /nfs/dbraw/zinc/62/28/39/543622839.db2.gz JFRBSQOIDKABJD-LXZKKBNFSA-N 2 2 298.434 3.204 20 0 CGADLP CC1CC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000681052660 543761483 /nfs/dbraw/zinc/76/14/83/543761483.db2.gz LNRHSTOOIBDOBO-BCLQGDPASA-N 2 2 269.392 3.092 20 0 CGADLP CCCC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000130858750 287364861 /nfs/dbraw/zinc/36/48/61/287364861.db2.gz MRDHKXMJESSGQG-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP CCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000130858750 287364864 /nfs/dbraw/zinc/36/48/64/287364864.db2.gz MRDHKXMJESSGQG-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP CC[N@@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@@H]1C ZINC000682467872 543847975 /nfs/dbraw/zinc/84/79/75/543847975.db2.gz QFGULJFBRKDONA-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@@H]1C ZINC000682467872 543847977 /nfs/dbraw/zinc/84/79/77/543847977.db2.gz QFGULJFBRKDONA-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131489666 287381855 /nfs/dbraw/zinc/38/18/55/287381855.db2.gz FXSFFZHQNFFFCB-QGZVFWFLSA-N 2 2 271.408 3.145 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131489666 287381857 /nfs/dbraw/zinc/38/18/57/287381857.db2.gz FXSFFZHQNFFFCB-QGZVFWFLSA-N 2 2 271.408 3.145 20 0 CGADLP CCn1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000682999636 543886040 /nfs/dbraw/zinc/88/60/40/543886040.db2.gz MRNLTXHLDGTEHG-UHFFFAOYSA-N 2 2 294.402 3.326 20 0 CGADLP CCn1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000682999636 543886042 /nfs/dbraw/zinc/88/60/42/543886042.db2.gz MRNLTXHLDGTEHG-UHFFFAOYSA-N 2 2 294.402 3.326 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683435845 543914008 /nfs/dbraw/zinc/91/40/08/543914008.db2.gz AYDUDPLVZKNQFA-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683435845 543914011 /nfs/dbraw/zinc/91/40/11/543914011.db2.gz AYDUDPLVZKNQFA-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693904 543932522 /nfs/dbraw/zinc/93/25/22/543932522.db2.gz HLRJBZICQBEBSS-ZBFHGGJFSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693904 543932525 /nfs/dbraw/zinc/93/25/25/543932525.db2.gz HLRJBZICQBEBSS-ZBFHGGJFSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000684022132 543960744 /nfs/dbraw/zinc/96/07/44/543960744.db2.gz GZUKBXGIHDYUEJ-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000684022132 543960745 /nfs/dbraw/zinc/96/07/45/543960745.db2.gz GZUKBXGIHDYUEJ-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000684560850 544013112 /nfs/dbraw/zinc/01/31/12/544013112.db2.gz QJQHVXBYOROGLG-LMWSTFAQSA-N 2 2 279.453 3.119 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)n1 ZINC000684559960 544013277 /nfs/dbraw/zinc/01/32/77/544013277.db2.gz CBTIUZBWWOHWRE-GTPINHCMSA-N 2 2 287.451 3.366 20 0 CGADLP CC1CC([NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000685468096 544077010 /nfs/dbraw/zinc/07/70/10/544077010.db2.gz JCTNZCIRPLIEQU-MZQWUDBDSA-N 2 2 281.403 3.500 20 0 CGADLP c1cn(-c2ccccc2)c(NCc2c[nH+]c3ccccn23)[nH+]1 ZINC000684837663 544033103 /nfs/dbraw/zinc/03/31/03/544033103.db2.gz SHXSODGIXFCDKI-UHFFFAOYSA-N 2 2 289.342 3.132 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662269 544093237 /nfs/dbraw/zinc/09/32/37/544093237.db2.gz DKJJZOPEIQJGTL-IAISJRAMSA-N 2 2 281.403 3.180 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662269 544093238 /nfs/dbraw/zinc/09/32/38/544093238.db2.gz DKJJZOPEIQJGTL-IAISJRAMSA-N 2 2 281.403 3.180 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000685572488 544085814 /nfs/dbraw/zinc/08/58/14/544085814.db2.gz FZJSGAOCMMPMSY-DOMZBBRYSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000685572488 544085816 /nfs/dbraw/zinc/08/58/16/544085816.db2.gz FZJSGAOCMMPMSY-DOMZBBRYSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000685842835 544101127 /nfs/dbraw/zinc/10/11/27/544101127.db2.gz PVJGJAHIWVXJDY-CQSZACIVSA-N 2 2 262.441 3.066 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2c(F)cccc2OC)CC1 ZINC000135093445 287460662 /nfs/dbraw/zinc/46/06/62/287460662.db2.gz MTADPRCMVMITJH-ZDUSSCGKSA-N 2 2 294.414 3.359 20 0 CGADLP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)[C@H]1c1cccnc1 ZINC000664824254 419009872 /nfs/dbraw/zinc/00/98/72/419009872.db2.gz UGGLQXWSHKCDFF-KRWDZBQOSA-N 2 2 287.451 3.341 20 0 CGADLP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@H]1c1cccnc1 ZINC000664824254 419009875 /nfs/dbraw/zinc/00/98/75/419009875.db2.gz UGGLQXWSHKCDFF-KRWDZBQOSA-N 2 2 287.451 3.341 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660129743 419083801 /nfs/dbraw/zinc/08/38/01/419083801.db2.gz TVARZKKYXATBRW-GFCCVEGCSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660129743 419083803 /nfs/dbraw/zinc/08/38/03/419083803.db2.gz TVARZKKYXATBRW-GFCCVEGCSA-N 2 2 298.415 3.019 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000655767668 419091379 /nfs/dbraw/zinc/09/13/79/419091379.db2.gz HHQGMVKKCZNFGV-ZBFHGGJFSA-N 2 2 281.403 3.161 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000655767668 419091381 /nfs/dbraw/zinc/09/13/81/419091381.db2.gz HHQGMVKKCZNFGV-ZBFHGGJFSA-N 2 2 281.403 3.161 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCC[C@H]1C ZINC000655772406 419092904 /nfs/dbraw/zinc/09/29/04/419092904.db2.gz GRDRMWCSUVOGAA-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275246 419098449 /nfs/dbraw/zinc/09/84/49/419098449.db2.gz GFRGHZYXPAGTSF-RISCZKNCSA-N 2 2 286.341 3.025 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000655795653 419099407 /nfs/dbraw/zinc/09/94/07/419099407.db2.gz DUTSVPRKNANJIO-IIYDPXPESA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000655795653 419099411 /nfs/dbraw/zinc/09/94/11/419099411.db2.gz DUTSVPRKNANJIO-IIYDPXPESA-N 2 2 276.399 3.492 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294133 419106548 /nfs/dbraw/zinc/10/65/48/419106548.db2.gz IUNUHVVKFKMAJY-RISCZKNCSA-N 2 2 254.805 3.379 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000665295660 419108866 /nfs/dbraw/zinc/10/88/66/419108866.db2.gz HITOIIVZYXFPDF-QMTHXVAHSA-N 2 2 297.240 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000665295370 419109092 /nfs/dbraw/zinc/10/90/92/419109092.db2.gz CKGQJSONLMMVSF-RYUDHWBXSA-N 2 2 289.448 3.377 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000665296650 419111191 /nfs/dbraw/zinc/11/11/91/419111191.db2.gz VXQFMUQUUPINBD-OLZOCXBDSA-N 2 2 266.454 3.446 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000655843675 419115729 /nfs/dbraw/zinc/11/57/29/419115729.db2.gz UZLPYBMJJDKFBR-AWEZNQCLSA-N 2 2 289.423 3.184 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850726 419120094 /nfs/dbraw/zinc/12/00/94/419120094.db2.gz LPFJPYIKJRCECM-JYJNAYRXSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850726 419120095 /nfs/dbraw/zinc/12/00/95/419120095.db2.gz LPFJPYIKJRCECM-JYJNAYRXSA-N 2 2 282.472 3.044 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849293 419120648 /nfs/dbraw/zinc/12/06/48/419120648.db2.gz STYTXRGCAZWTSB-ARFHVFGLSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849293 419120652 /nfs/dbraw/zinc/12/06/52/419120652.db2.gz STYTXRGCAZWTSB-ARFHVFGLSA-N 2 2 274.408 3.264 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849763 419120682 /nfs/dbraw/zinc/12/06/82/419120682.db2.gz YNQXDSZVXDLUER-KKUMJFAQSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849763 419120686 /nfs/dbraw/zinc/12/06/86/419120686.db2.gz YNQXDSZVXDLUER-KKUMJFAQSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000655855970 419122976 /nfs/dbraw/zinc/12/29/76/419122976.db2.gz JWUDBRJLDPXCFJ-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000655855970 419122979 /nfs/dbraw/zinc/12/29/79/419122979.db2.gz JWUDBRJLDPXCFJ-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151307738 287510996 /nfs/dbraw/zinc/51/09/96/287510996.db2.gz XZRIWWIFOUKVRO-GJZGRUSLSA-N 2 2 271.408 3.456 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655855440 419123549 /nfs/dbraw/zinc/12/35/49/419123549.db2.gz DOSSFJMHNAMENH-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655855440 419123554 /nfs/dbraw/zinc/12/35/54/419123554.db2.gz DOSSFJMHNAMENH-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP CSc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000660064518 419069014 /nfs/dbraw/zinc/06/90/14/419069014.db2.gz PTXPTSIURHNSSX-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078685 419072221 /nfs/dbraw/zinc/07/22/21/419072221.db2.gz YLKFKPOMWHVYAH-CVEARBPZSA-N 2 2 291.439 3.184 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078685 419072223 /nfs/dbraw/zinc/07/22/23/419072223.db2.gz YLKFKPOMWHVYAH-CVEARBPZSA-N 2 2 291.439 3.184 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708114 419072537 /nfs/dbraw/zinc/07/25/37/419072537.db2.gz DPOSIJVXTIGGQN-FGTMMUONSA-N 2 2 294.483 3.044 20 0 CGADLP CO[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000660094890 419074297 /nfs/dbraw/zinc/07/42/97/419074297.db2.gz LPEPCMYZISBWKD-KRWDZBQOSA-N 2 2 291.439 3.184 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000655940605 419129349 /nfs/dbraw/zinc/12/93/49/419129349.db2.gz DDFGQSAJUTTXNK-MRXNPFEDSA-N 2 2 278.440 3.282 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000655940753 419129440 /nfs/dbraw/zinc/12/94/40/419129440.db2.gz WVRLYHUJNKPZSU-HZPDHXFCSA-N 2 2 276.424 3.178 20 0 CGADLP C1=C[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474297 419150341 /nfs/dbraw/zinc/15/03/41/419150341.db2.gz HPVHNUWKSDDZSA-QZTJIDSGSA-N 2 2 292.467 3.062 20 0 CGADLP C1=C[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474297 419150343 /nfs/dbraw/zinc/15/03/43/419150343.db2.gz HPVHNUWKSDDZSA-QZTJIDSGSA-N 2 2 292.467 3.062 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c[nH+]1 ZINC000656267994 419161120 /nfs/dbraw/zinc/16/11/20/419161120.db2.gz QSINPKLGGHQHHL-MSOLQXFVSA-N 2 2 288.435 3.260 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000656276553 419163805 /nfs/dbraw/zinc/16/38/05/419163805.db2.gz HAXGQLZPMDKKFT-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000656276553 419163808 /nfs/dbraw/zinc/16/38/08/419163808.db2.gz HAXGQLZPMDKKFT-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CS1 ZINC000656279050 419164490 /nfs/dbraw/zinc/16/44/90/419164490.db2.gz VIKGOXYSDXIFDI-JONQDZQNSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CS1 ZINC000656279050 419164493 /nfs/dbraw/zinc/16/44/93/419164493.db2.gz VIKGOXYSDXIFDI-JONQDZQNSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCn3c[nH+]cc3C2)C[C@@H](C)C1 ZINC000660579380 419164834 /nfs/dbraw/zinc/16/48/34/419164834.db2.gz WMSZHMHMFBPWST-FICVDOATSA-N 2 2 261.413 3.161 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCn3c[nH+]cc3C2)C[C@@H](C)C1 ZINC000660579380 419164837 /nfs/dbraw/zinc/16/48/37/419164837.db2.gz WMSZHMHMFBPWST-FICVDOATSA-N 2 2 261.413 3.161 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000656469110 419175876 /nfs/dbraw/zinc/17/58/76/419175876.db2.gz NAYFONOAHCHHSM-CQSZACIVSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000656469110 419175879 /nfs/dbraw/zinc/17/58/79/419175879.db2.gz NAYFONOAHCHHSM-CQSZACIVSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666082537 419188413 /nfs/dbraw/zinc/18/84/13/419188413.db2.gz IYLPOWVVJXXEDH-TZMCWYRMSA-N 2 2 289.810 3.072 20 0 CGADLP CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857352 419125684 /nfs/dbraw/zinc/12/56/84/419125684.db2.gz TXEKGCLTNNQDRB-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857352 419125687 /nfs/dbraw/zinc/12/56/87/419125687.db2.gz TXEKGCLTNNQDRB-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000655937579 419127802 /nfs/dbraw/zinc/12/78/02/419127802.db2.gz AVAKGDBWOLLTRQ-QGZVFWFLSA-N 2 2 276.424 3.036 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329742 419251548 /nfs/dbraw/zinc/25/15/48/419251548.db2.gz CPSYKEIXIYAFQT-UHFFFAOYSA-N 2 2 299.349 3.313 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C(F)(F)F)n1C ZINC000657335565 419253638 /nfs/dbraw/zinc/25/36/38/419253638.db2.gz HGXFDYVSCOIOFX-UHFFFAOYSA-N 2 2 283.297 3.037 20 0 CGADLP Clc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1Cl ZINC000657336684 419254078 /nfs/dbraw/zinc/25/40/78/419254078.db2.gz XVPDEEMHAVPDEG-UHFFFAOYSA-N 2 2 296.201 3.426 20 0 CGADLP Fc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCC2)cc1 ZINC000657340098 419254954 /nfs/dbraw/zinc/25/49/54/419254954.db2.gz ZEDMODFNKRZZSS-UHFFFAOYSA-N 2 2 299.393 3.180 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657341776 419255964 /nfs/dbraw/zinc/25/59/64/419255964.db2.gz LDXIJJNIXUUULA-INIZCTEOSA-N 2 2 299.418 3.469 20 0 CGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353418 419257963 /nfs/dbraw/zinc/25/79/63/419257963.db2.gz MXFJBIRLHUMVRB-CABCVRRESA-N 2 2 261.413 3.134 20 0 CGADLP c1coc([C@@H]2[N@H+](CCCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661435361 419259178 /nfs/dbraw/zinc/25/91/78/419259178.db2.gz FTPGGNXEDOGEHW-INIZCTEOSA-N 2 2 285.391 3.484 20 0 CGADLP c1coc([C@@H]2[N@@H+](CCCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661435361 419259181 /nfs/dbraw/zinc/25/91/81/419259181.db2.gz FTPGGNXEDOGEHW-INIZCTEOSA-N 2 2 285.391 3.484 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000657389761 419267075 /nfs/dbraw/zinc/26/70/75/419267075.db2.gz NRRVVNKLOHKZQF-CJNGLKHVSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)[nH]c2c1 ZINC000657389761 419267077 /nfs/dbraw/zinc/26/70/77/419267077.db2.gz NRRVVNKLOHKZQF-CJNGLKHVSA-N 2 2 283.419 3.191 20 0 CGADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420600 419274115 /nfs/dbraw/zinc/27/41/15/419274115.db2.gz DSUDBPNHHFRMGZ-UGSOOPFHSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1cccc(OCCC[NH2+]Cc2c[nH+]c3n2CCC3)c1C ZINC000657451774 419282836 /nfs/dbraw/zinc/28/28/36/419282836.db2.gz IHPJTRPPLQTFCL-UHFFFAOYSA-N 2 2 299.418 3.005 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657526174 419297251 /nfs/dbraw/zinc/29/72/51/419297251.db2.gz BTGYGQZEBNJLLR-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657526174 419297253 /nfs/dbraw/zinc/29/72/53/419297253.db2.gz BTGYGQZEBNJLLR-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657561426 419304690 /nfs/dbraw/zinc/30/46/90/419304690.db2.gz IEPUXZSVRMFQSL-LSDHHAIUSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657561426 419304692 /nfs/dbraw/zinc/30/46/92/419304692.db2.gz IEPUXZSVRMFQSL-LSDHHAIUSA-N 2 2 288.435 3.015 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000657627062 419316330 /nfs/dbraw/zinc/31/63/30/419316330.db2.gz UOCBQPSOPYJBQL-DOTOQJQBSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC000657627062 419316332 /nfs/dbraw/zinc/31/63/32/419316332.db2.gz UOCBQPSOPYJBQL-DOTOQJQBSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3C(C)(C)C3(F)F)n2c1 ZINC000657737634 419334156 /nfs/dbraw/zinc/33/41/56/419334156.db2.gz LQNHXDBXLJSWGE-GFCCVEGCSA-N 2 2 279.334 3.024 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000657741944 419335108 /nfs/dbraw/zinc/33/51/08/419335108.db2.gz JZTCVZBAOYUUCG-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000657741944 419335109 /nfs/dbraw/zinc/33/51/09/419335109.db2.gz JZTCVZBAOYUUCG-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657819651 419367596 /nfs/dbraw/zinc/36/75/96/419367596.db2.gz FYEWMJDEILKQEZ-CVEARBPZSA-N 2 2 278.465 3.165 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657822270 419372234 /nfs/dbraw/zinc/37/22/34/419372234.db2.gz YGVRSVUSJVOTPS-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657822270 419372239 /nfs/dbraw/zinc/37/22/39/419372239.db2.gz YGVRSVUSJVOTPS-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C(F)F ZINC000657836258 419381934 /nfs/dbraw/zinc/38/19/34/419381934.db2.gz JYBQINKFRFRYNS-GFCCVEGCSA-N 2 2 297.393 3.320 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054720 419522793 /nfs/dbraw/zinc/52/27/93/419522793.db2.gz GFHOETOSPJBKQL-RHSMWYFYSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054720 419522803 /nfs/dbraw/zinc/52/28/03/419522803.db2.gz GFHOETOSPJBKQL-RHSMWYFYSA-N 2 2 272.436 3.445 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccs1 ZINC000658054002 419524095 /nfs/dbraw/zinc/52/40/95/419524095.db2.gz CNRKTGRXHPCLRO-RYUDHWBXSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccs1 ZINC000658054002 419524101 /nfs/dbraw/zinc/52/41/01/419524101.db2.gz CNRKTGRXHPCLRO-RYUDHWBXSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059421 419534092 /nfs/dbraw/zinc/53/40/92/419534092.db2.gz JAMVTPNHNNMUCQ-NVXWUHKLSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059421 419534101 /nfs/dbraw/zinc/53/41/01/419534101.db2.gz JAMVTPNHNNMUCQ-NVXWUHKLSA-N 2 2 289.467 3.255 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658062004 419535085 /nfs/dbraw/zinc/53/50/85/419535085.db2.gz QSTFXEPHSAAOCO-DLBZAZTESA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658062004 419535095 /nfs/dbraw/zinc/53/50/95/419535095.db2.gz QSTFXEPHSAAOCO-DLBZAZTESA-N 2 2 287.451 3.385 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093180 419570228 /nfs/dbraw/zinc/57/02/28/419570228.db2.gz TYMSJDDTUVTKPI-CZUORRHYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093180 419570234 /nfs/dbraw/zinc/57/02/34/419570234.db2.gz TYMSJDDTUVTKPI-CZUORRHYSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095819 419572706 /nfs/dbraw/zinc/57/27/06/419572706.db2.gz MMVMBFXLUXJNCA-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095819 419572717 /nfs/dbraw/zinc/57/27/17/419572717.db2.gz MMVMBFXLUXJNCA-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000663428916 419601186 /nfs/dbraw/zinc/60/11/86/419601186.db2.gz VRXQCYRBXNUAGF-ZDUSSCGKSA-N 2 2 297.402 3.200 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000663428916 419601192 /nfs/dbraw/zinc/60/11/92/419601192.db2.gz VRXQCYRBXNUAGF-ZDUSSCGKSA-N 2 2 297.402 3.200 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658161663 419622535 /nfs/dbraw/zinc/62/25/35/419622535.db2.gz LXVAJJXDIHGIRC-QRTARXTBSA-N 2 2 285.391 3.090 20 0 CGADLP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229220 419688453 /nfs/dbraw/zinc/68/84/53/419688453.db2.gz PNWJGGQMDAZRDA-SJLPKXTDSA-N 2 2 294.483 3.188 20 0 CGADLP COC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229220 419688458 /nfs/dbraw/zinc/68/84/58/419688458.db2.gz PNWJGGQMDAZRDA-SJLPKXTDSA-N 2 2 294.483 3.188 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000663508099 419641983 /nfs/dbraw/zinc/64/19/83/419641983.db2.gz ISKDIXMFCFKCQK-LBPRGKRZSA-N 2 2 260.406 3.113 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)[nH+]c1 ZINC000658206282 419658515 /nfs/dbraw/zinc/65/85/15/419658515.db2.gz MQJIRHLPLXMYIK-VYDXJSESSA-N 2 2 285.435 3.076 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000658295926 419744010 /nfs/dbraw/zinc/74/40/10/419744010.db2.gz PSIALMOSPNDKCM-HOTGVXAUSA-N 2 2 294.464 3.042 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000020189887 262233281 /nfs/dbraw/zinc/23/32/81/262233281.db2.gz QKLWQAYNBFVNQX-GFCCVEGCSA-N 2 2 282.378 3.490 20 0 CGADLP FC1(F)CCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000390691431 262241198 /nfs/dbraw/zinc/24/11/98/262241198.db2.gz PUTSUAHPXVCLNI-AWEZNQCLSA-N 2 2 291.345 3.397 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000037240822 270029392 /nfs/dbraw/zinc/02/93/92/270029392.db2.gz AAPZGBVNZWGANN-RDJZCZTQSA-N 2 2 292.467 3.192 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000224542647 270086715 /nfs/dbraw/zinc/08/67/15/270086715.db2.gz QQVSZOLEFXFRRN-NFAWXSAZSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000224542647 270086716 /nfs/dbraw/zinc/08/67/16/270086716.db2.gz QQVSZOLEFXFRRN-NFAWXSAZSA-N 2 2 276.399 3.410 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321534416 270093308 /nfs/dbraw/zinc/09/33/08/270093308.db2.gz PRDVSXZRORAQHF-KCYZZUKISA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321534416 270093309 /nfs/dbraw/zinc/09/33/09/270093309.db2.gz PRDVSXZRORAQHF-KCYZZUKISA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000237551266 270090766 /nfs/dbraw/zinc/09/07/66/270090766.db2.gz IMTRIVYOGNYGHO-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000237551266 270090767 /nfs/dbraw/zinc/09/07/67/270090767.db2.gz IMTRIVYOGNYGHO-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000250200585 270091331 /nfs/dbraw/zinc/09/13/31/270091331.db2.gz BINOTKPFSCGMBM-WBVHZDCISA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000250200585 270091332 /nfs/dbraw/zinc/09/13/32/270091332.db2.gz BINOTKPFSCGMBM-WBVHZDCISA-N 2 2 260.425 3.438 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n1C ZINC000520253987 270098690 /nfs/dbraw/zinc/09/86/90/270098690.db2.gz GZJUUFSALVEWAY-LSDHHAIUSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000526106558 270123084 /nfs/dbraw/zinc/12/30/84/270123084.db2.gz NWZZBXZZDONGJQ-NEWSRXKRSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000526106558 270123085 /nfs/dbraw/zinc/12/30/85/270123085.db2.gz NWZZBXZZDONGJQ-NEWSRXKRSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000527355013 270127555 /nfs/dbraw/zinc/12/75/55/270127555.db2.gz AOGFIKYJRABARE-KBPBESRZSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000527355013 270127556 /nfs/dbraw/zinc/12/75/56/270127556.db2.gz AOGFIKYJRABARE-KBPBESRZSA-N 2 2 280.843 3.375 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527811818 270137870 /nfs/dbraw/zinc/13/78/70/270137870.db2.gz SLCMODKCXBXXOJ-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527811818 270137871 /nfs/dbraw/zinc/13/78/71/270137871.db2.gz SLCMODKCXBXXOJ-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@@H+]1CCCC[C@@H]1C ZINC000527846410 270139661 /nfs/dbraw/zinc/13/96/61/270139661.db2.gz DXVKADOPYSBSDA-AJNGGQMLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@H+]1CCCC[C@@H]1C ZINC000527846410 270139662 /nfs/dbraw/zinc/13/96/62/270139662.db2.gz DXVKADOPYSBSDA-AJNGGQMLSA-N 2 2 250.430 3.028 20 0 CGADLP c1c[nH+]c([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH]1 ZINC000527879747 270141561 /nfs/dbraw/zinc/14/15/61/270141561.db2.gz JYSUNNAIWTXXMW-AWEZNQCLSA-N 2 2 278.359 3.342 20 0 CGADLP COCCC[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527883283 270141976 /nfs/dbraw/zinc/14/19/76/270141976.db2.gz OEZJSWDARHXHIQ-UHFFFAOYSA-N 2 2 299.418 3.148 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012043 270151206 /nfs/dbraw/zinc/15/12/06/270151206.db2.gz NQACVEHSXNPEJY-GUYCJALGSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012043 270151207 /nfs/dbraw/zinc/15/12/07/270151207.db2.gz NQACVEHSXNPEJY-GUYCJALGSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012040 270151323 /nfs/dbraw/zinc/15/13/23/270151323.db2.gz NQACVEHSXNPEJY-DYVFJYSZSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012040 270151324 /nfs/dbraw/zinc/15/13/24/270151324.db2.gz NQACVEHSXNPEJY-DYVFJYSZSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000529529648 270182455 /nfs/dbraw/zinc/18/24/55/270182455.db2.gz BCOVXWGUEQBVDX-AGIUHOORSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000529529648 270182456 /nfs/dbraw/zinc/18/24/56/270182456.db2.gz BCOVXWGUEQBVDX-AGIUHOORSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CC(F)(F)C1 ZINC000529564476 270184813 /nfs/dbraw/zinc/18/48/13/270184813.db2.gz CQJYZQRTTKKUNE-LLVKDONJSA-N 2 2 292.333 3.172 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530219307 270196109 /nfs/dbraw/zinc/19/61/09/270196109.db2.gz LHHNQSAHFACIGQ-COXVUDFISA-N 2 2 270.420 3.499 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530223535 270196622 /nfs/dbraw/zinc/19/66/22/270196622.db2.gz SQWSJXSWNDBRFE-GJZGRUSLSA-N 2 2 276.811 3.202 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531737024 270209254 /nfs/dbraw/zinc/20/92/54/270209254.db2.gz DVBMXCWEBOWAQM-CABCVRRESA-N 2 2 270.486 3.148 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000531979370 270212056 /nfs/dbraw/zinc/21/20/56/270212056.db2.gz FJBCRRIYQLDRNR-YOEHRIQHSA-N 2 2 274.452 3.066 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000531979370 270212057 /nfs/dbraw/zinc/21/20/57/270212057.db2.gz FJBCRRIYQLDRNR-YOEHRIQHSA-N 2 2 274.452 3.066 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983918 270212514 /nfs/dbraw/zinc/21/25/14/270212514.db2.gz MICGMNOPXNMIGG-LSDHHAIUSA-N 2 2 276.424 3.078 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983918 270212515 /nfs/dbraw/zinc/21/25/15/270212515.db2.gz MICGMNOPXNMIGG-LSDHHAIUSA-N 2 2 276.424 3.078 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000532207741 270214300 /nfs/dbraw/zinc/21/43/00/270214300.db2.gz SQYNCCQUUKFBHN-UGUYLWEFSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000532207741 270214301 /nfs/dbraw/zinc/21/43/01/270214301.db2.gz SQYNCCQUUKFBHN-UGUYLWEFSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565285 270217302 /nfs/dbraw/zinc/21/73/02/270217302.db2.gz AOGKKOMGFDVTCC-GDBMZVCRSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565285 270217303 /nfs/dbraw/zinc/21/73/03/270217303.db2.gz AOGKKOMGFDVTCC-GDBMZVCRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)c2sccc21 ZINC000453081952 287707101 /nfs/dbraw/zinc/70/71/01/287707101.db2.gz KLSATRKKRBXOQJ-TZMCWYRMSA-N 2 2 264.438 3.372 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507473949 287710073 /nfs/dbraw/zinc/71/00/73/287710073.db2.gz WOPSHAKQHWLZPL-RYUDHWBXSA-N 2 2 280.378 3.427 20 0 CGADLP CO[C@H](C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280306163 274075076 /nfs/dbraw/zinc/07/50/76/274075076.db2.gz WJWLSFBRQPTLIA-CYBMUJFWSA-N 2 2 287.407 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300413653 274258374 /nfs/dbraw/zinc/25/83/74/274258374.db2.gz FDMJIZMSQZMQCK-IIAWOOMASA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@H]1CCCC[NH2+]1 ZINC000423091057 274262186 /nfs/dbraw/zinc/26/21/86/274262186.db2.gz ZBQSSBXIOWXQPV-JLZZUVOBSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000192390487 274550827 /nfs/dbraw/zinc/55/08/27/274550827.db2.gz CTFGVKCZQBFVNV-HOCLYGCPSA-N 2 2 287.451 3.465 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081637625 275723213 /nfs/dbraw/zinc/72/32/13/275723213.db2.gz NFXAJHDYOLOWAO-JKSUJKDBSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCSCC2)cc1 ZINC000414850049 275749466 /nfs/dbraw/zinc/74/94/66/275749466.db2.gz RYQWXDYAGCBLCM-MRXNPFEDSA-N 2 2 278.465 3.295 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000424184482 275791205 /nfs/dbraw/zinc/79/12/05/275791205.db2.gz XOTRYPUPPZXTPO-MEDUHNTESA-N 2 2 289.354 3.215 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000420354417 275853330 /nfs/dbraw/zinc/85/33/30/275853330.db2.gz CXMYOBUHWSUVSC-CYBMUJFWSA-N 2 2 287.234 3.471 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccnc1 ZINC000375846243 276025578 /nfs/dbraw/zinc/02/55/78/276025578.db2.gz IDTLREDGRKIEPJ-HZPDHXFCSA-N 2 2 284.407 3.287 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685205 276045509 /nfs/dbraw/zinc/04/55/09/276045509.db2.gz ONOVYLJIHDTIQM-RDJZCZTQSA-N 2 2 258.409 3.354 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685205 276045511 /nfs/dbraw/zinc/04/55/11/276045511.db2.gz ONOVYLJIHDTIQM-RDJZCZTQSA-N 2 2 258.409 3.354 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000346570864 276115598 /nfs/dbraw/zinc/11/55/98/276115598.db2.gz QACRLKSHDOPFSR-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000346570864 276115599 /nfs/dbraw/zinc/11/55/99/276115599.db2.gz QACRLKSHDOPFSR-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000339072830 276178907 /nfs/dbraw/zinc/17/89/07/276178907.db2.gz YCFNGNMLRZGVOC-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000339072830 276178908 /nfs/dbraw/zinc/17/89/08/276178908.db2.gz YCFNGNMLRZGVOC-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000248512761 276187941 /nfs/dbraw/zinc/18/79/41/276187941.db2.gz BXPGDCFOYSWAMY-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000248512761 276187942 /nfs/dbraw/zinc/18/79/42/276187942.db2.gz BXPGDCFOYSWAMY-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422875799 276368989 /nfs/dbraw/zinc/36/89/89/276368989.db2.gz PIZPTBZUFOXPQV-GDBMZVCRSA-N 2 2 276.424 3.014 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000252961394 276637991 /nfs/dbraw/zinc/63/79/91/276637991.db2.gz OCULIQHSPQBYSD-RCBQFDQVSA-N 2 2 296.842 3.148 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000302816844 277138807 /nfs/dbraw/zinc/13/88/07/277138807.db2.gz IOZVSSHUTKMPPM-IAGOWNOFSA-N 2 2 292.386 3.420 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000302816844 277138809 /nfs/dbraw/zinc/13/88/09/277138809.db2.gz IOZVSSHUTKMPPM-IAGOWNOFSA-N 2 2 292.386 3.420 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H]1c1ccccc1 ZINC000487571388 277169766 /nfs/dbraw/zinc/16/97/66/277169766.db2.gz MEQJAPNLOHOJSK-ZYHOBAKYSA-N 2 2 293.414 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H]1c1ccccc1 ZINC000487571388 277169767 /nfs/dbraw/zinc/16/97/67/277169767.db2.gz MEQJAPNLOHOJSK-ZYHOBAKYSA-N 2 2 293.414 3.130 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000344537617 277478187 /nfs/dbraw/zinc/47/81/87/277478187.db2.gz VVTOCZVAZIINEC-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP CSC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423319851 277513134 /nfs/dbraw/zinc/51/31/34/277513134.db2.gz FSVNDHMCZFBLGY-BXKDBHETSA-N 2 2 292.370 3.046 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CS1 ZINC000488416371 277821916 /nfs/dbraw/zinc/82/19/16/277821916.db2.gz IMQLRHHUHPBMCU-VGWMRTNUSA-N 2 2 284.513 3.369 20 0 CGADLP COc1cccc2c1CC[N@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000425343907 278029591 /nfs/dbraw/zinc/02/95/91/278029591.db2.gz SJRZOHDOCWCXCS-UHFFFAOYSA-N 2 2 299.418 3.073 20 0 CGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000425343907 278029595 /nfs/dbraw/zinc/02/95/95/278029595.db2.gz SJRZOHDOCWCXCS-UHFFFAOYSA-N 2 2 299.418 3.073 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423133747 278066971 /nfs/dbraw/zinc/06/69/71/278066971.db2.gz WFEBTPYIKQWQEB-RIILARPGSA-N 2 2 298.361 3.382 20 0 CGADLP CC/C=C\CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352090565 278165400 /nfs/dbraw/zinc/16/54/00/278165400.db2.gz ADEVFODGUUYPMC-OSNZYPHYSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C\CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352090565 278165401 /nfs/dbraw/zinc/16/54/01/278165401.db2.gz ADEVFODGUUYPMC-OSNZYPHYSA-N 2 2 258.409 3.378 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353629961 278177437 /nfs/dbraw/zinc/17/74/37/278177437.db2.gz ZPJLOCRBWVGERI-NEPJUHHUSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353629961 278177439 /nfs/dbraw/zinc/17/74/39/278177439.db2.gz ZPJLOCRBWVGERI-NEPJUHHUSA-N 2 2 287.432 3.340 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397632342 288025611 /nfs/dbraw/zinc/02/56/11/288025611.db2.gz VWDQPOGOILHFCP-GXTWGEPZSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281875121 278254249 /nfs/dbraw/zinc/25/42/49/278254249.db2.gz FQABKDKIZUWCMN-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)ccc1F ZINC000423532413 278279257 /nfs/dbraw/zinc/27/92/57/278279257.db2.gz RCEHHOKXQVGTNI-ZUZCIYMTSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148932 278311003 /nfs/dbraw/zinc/31/10/03/278311003.db2.gz JMNDUWQHNMNYQP-UKRRQHHQSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148932 278311008 /nfs/dbraw/zinc/31/10/08/278311008.db2.gz JMNDUWQHNMNYQP-UKRRQHHQSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335015643 278315864 /nfs/dbraw/zinc/31/58/64/278315864.db2.gz PFIRSLYBSIQVDB-NEPJUHHUSA-N 2 2 252.361 3.082 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000397883970 288033922 /nfs/dbraw/zinc/03/39/22/288033922.db2.gz MAWXAOXQZNDGMN-LLVKDONJSA-N 2 2 284.350 3.033 20 0 CGADLP CCSCC[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397917364 288034997 /nfs/dbraw/zinc/03/49/97/288034997.db2.gz LECMHWCYAHFLQG-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CCSCC[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397917364 288034999 /nfs/dbraw/zinc/03/49/99/288034999.db2.gz LECMHWCYAHFLQG-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000397953197 288036271 /nfs/dbraw/zinc/03/62/71/288036271.db2.gz QLZSNXCZHDARIB-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000397953197 288036273 /nfs/dbraw/zinc/03/62/73/288036273.db2.gz QLZSNXCZHDARIB-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)CC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459383589 288086396 /nfs/dbraw/zinc/08/63/96/288086396.db2.gz GILRXTNGMWJKGE-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)CC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459383589 288086397 /nfs/dbraw/zinc/08/63/97/288086397.db2.gz GILRXTNGMWJKGE-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)s1 ZINC000459376067 288086008 /nfs/dbraw/zinc/08/60/08/288086008.db2.gz NMVYHCCXZFOIEM-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)s1 ZINC000459376067 288086011 /nfs/dbraw/zinc/08/60/11/288086011.db2.gz NMVYHCCXZFOIEM-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000423380312 288088610 /nfs/dbraw/zinc/08/86/10/288088610.db2.gz NTKIHEGAYUKMHE-UBHSHLNASA-N 2 2 298.377 3.469 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CC(C)C1)[NH+](C)C ZINC000443222177 278964749 /nfs/dbraw/zinc/96/47/49/278964749.db2.gz ZIYMQNFFKBHIPX-RZUWBANKSA-N 2 2 260.425 3.374 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)CCC2 ZINC000359324313 279004246 /nfs/dbraw/zinc/00/42/46/279004246.db2.gz QZXVHGCYOAFBAJ-JYJNAYRXSA-N 2 2 273.424 3.237 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292871070 279072090 /nfs/dbraw/zinc/07/20/90/279072090.db2.gz SLTMLYXLANRCGI-YOEHRIQHSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292871070 279072091 /nfs/dbraw/zinc/07/20/91/279072091.db2.gz SLTMLYXLANRCGI-YOEHRIQHSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292871070 279072092 /nfs/dbraw/zinc/07/20/92/279072092.db2.gz SLTMLYXLANRCGI-YOEHRIQHSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000292871070 279072093 /nfs/dbraw/zinc/07/20/93/279072093.db2.gz SLTMLYXLANRCGI-YOEHRIQHSA-N 2 2 289.467 3.428 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000360920641 279282299 /nfs/dbraw/zinc/28/22/99/279282299.db2.gz YJFKKPPHBRPVMG-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000360920641 279282301 /nfs/dbraw/zinc/28/23/01/279282301.db2.gz YJFKKPPHBRPVMG-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335015646 279414133 /nfs/dbraw/zinc/41/41/33/279414133.db2.gz PFIRSLYBSIQVDB-RYUDHWBXSA-N 2 2 252.361 3.082 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527662048 288184503 /nfs/dbraw/zinc/18/45/03/288184503.db2.gz OOAMORJCBTXCOQ-KKXDTOCCSA-N 2 2 281.403 3.397 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@H](C)C2 ZINC000491061289 281118723 /nfs/dbraw/zinc/11/87/23/281118723.db2.gz QSFLZJBEJZSDOW-HBUWYVDXSA-N 2 2 272.436 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@H](C)C2 ZINC000491061289 281118724 /nfs/dbraw/zinc/11/87/24/281118724.db2.gz QSFLZJBEJZSDOW-HBUWYVDXSA-N 2 2 272.436 3.301 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177531 288294852 /nfs/dbraw/zinc/29/48/52/288294852.db2.gz JTWPHEHTVMXGNJ-CYBMUJFWSA-N 2 2 284.325 3.080 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423564749 281319100 /nfs/dbraw/zinc/31/91/00/281319100.db2.gz SCUXLBGKSLOZBV-CZUORRHYSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000531707992 288341739 /nfs/dbraw/zinc/34/17/39/288341739.db2.gz UWACDWJLCHNEHN-OLMNPRSZSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000531707992 288341740 /nfs/dbraw/zinc/34/17/40/288341740.db2.gz UWACDWJLCHNEHN-OLMNPRSZSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2occc21 ZINC000278797395 281663447 /nfs/dbraw/zinc/66/34/47/281663447.db2.gz QVXQNOZBYZWERS-OAHLLOKOSA-N 2 2 256.349 3.193 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C)cc1 ZINC000532239323 288357162 /nfs/dbraw/zinc/35/71/62/288357162.db2.gz SVBSLWGUXVGLNY-RDJZCZTQSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C)cc1 ZINC000532239323 288357164 /nfs/dbraw/zinc/35/71/64/288357164.db2.gz SVBSLWGUXVGLNY-RDJZCZTQSA-N 2 2 260.425 3.378 20 0 CGADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000532246649 288358597 /nfs/dbraw/zinc/35/85/97/288358597.db2.gz ASGONKWMLOBIRD-CABCVRRESA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000532246649 288358598 /nfs/dbraw/zinc/35/85/98/288358598.db2.gz ASGONKWMLOBIRD-CABCVRRESA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544047 288366661 /nfs/dbraw/zinc/36/66/61/288366661.db2.gz CNYNCZHLOGPTFG-CZUORRHYSA-N 2 2 294.870 3.448 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544047 288366663 /nfs/dbraw/zinc/36/66/63/288366663.db2.gz CNYNCZHLOGPTFG-CZUORRHYSA-N 2 2 294.870 3.448 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC(C)(C)C1)Cn1cc[nH+]c1 ZINC000532785606 288368724 /nfs/dbraw/zinc/36/87/24/288368724.db2.gz WTRKXEZOYPBGLZ-GJZGRUSLSA-N 2 2 263.429 3.325 20 0 CGADLP Cc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000541391203 288699821 /nfs/dbraw/zinc/69/98/21/288699821.db2.gz YZSOJXAWFBDWDJ-UHFFFAOYSA-N 2 2 287.388 3.168 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000548880868 289027029 /nfs/dbraw/zinc/02/70/29/289027029.db2.gz FNABXGNLOZUAHB-MLHJIOFPSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000550932139 289091823 /nfs/dbraw/zinc/09/18/23/289091823.db2.gz SZEFLMMMZSHZNU-UHOFOFEASA-N 2 2 273.355 3.414 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000554089520 289257259 /nfs/dbraw/zinc/25/72/59/289257259.db2.gz UFRIOKKCIQJOIJ-RANZSIQMSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000554089520 289257260 /nfs/dbraw/zinc/25/72/60/289257260.db2.gz UFRIOKKCIQJOIJ-RANZSIQMSA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000556585639 289398816 /nfs/dbraw/zinc/39/88/16/289398816.db2.gz NOTFHOBIANITAG-UHFFFAOYSA-N 2 2 287.451 3.347 20 0 CGADLP CCc1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000556765302 289406343 /nfs/dbraw/zinc/40/63/43/289406343.db2.gz WZXFJZFKXMRTGP-ZBFHGGJFSA-N 2 2 293.455 3.227 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)[NH+](C)C ZINC000560522993 289599663 /nfs/dbraw/zinc/59/96/63/289599663.db2.gz QPAUKJWAOJSBNM-KFWWJZLASA-N 2 2 258.425 3.081 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000495050273 290255663 /nfs/dbraw/zinc/25/56/63/290255663.db2.gz MDYBOYFBZBAREQ-SQDXWYPISA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000495050273 290255667 /nfs/dbraw/zinc/25/56/67/290255667.db2.gz MDYBOYFBZBAREQ-SQDXWYPISA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227143 300222358 /nfs/dbraw/zinc/22/23/58/300222358.db2.gz NSTVVCWLGMZZKX-OQUILHJVSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227143 300222361 /nfs/dbraw/zinc/22/23/61/300222361.db2.gz NSTVVCWLGMZZKX-OQUILHJVSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793776 300233696 /nfs/dbraw/zinc/23/36/96/300233696.db2.gz NYEXOAJRTLTSLD-LRDDRELGSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793776 300233697 /nfs/dbraw/zinc/23/36/97/300233697.db2.gz NYEXOAJRTLTSLD-LRDDRELGSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423239469 301289227 /nfs/dbraw/zinc/28/92/27/301289227.db2.gz RYVWEOLWTBJFNL-UKRRQHHQSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000443214447 302209150 /nfs/dbraw/zinc/20/91/50/302209150.db2.gz KWUKXHDEOKDSOJ-BQFCYCMXSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000443009814 302209234 /nfs/dbraw/zinc/20/92/34/302209234.db2.gz LFOVWOVHWGHTAI-HPFXQQBRSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCc2ccc(Cl)cc2)n1C ZINC000580096522 327697735 /nfs/dbraw/zinc/69/77/35/327697735.db2.gz HWBJOFQJQOEUQG-UHFFFAOYSA-N 2 2 277.799 3.104 20 0 CGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cocn2)c(C)c1 ZINC000582055735 327823516 /nfs/dbraw/zinc/82/35/16/327823516.db2.gz AZRVQWXOTMODMD-QGZVFWFLSA-N 2 2 296.374 3.019 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C(C)(C)O1 ZINC000152261428 321696190 /nfs/dbraw/zinc/69/61/90/321696190.db2.gz ZQHJVDJYRHPRAK-MRXNPFEDSA-N 2 2 299.418 3.308 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)n1C ZINC000565238192 322068817 /nfs/dbraw/zinc/06/88/17/322068817.db2.gz NYZKUTGSGHROBA-CTYIDZIISA-N 2 2 289.810 3.418 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC12CCC2 ZINC000565244168 322069879 /nfs/dbraw/zinc/06/98/79/322069879.db2.gz GILKAONIZQTCGR-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000565391519 322075791 /nfs/dbraw/zinc/07/57/91/322075791.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000565391519 322075792 /nfs/dbraw/zinc/07/57/92/322075792.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(F)c(F)c2)CC[NH+]1C ZINC000565391519 322075795 /nfs/dbraw/zinc/07/57/95/322075795.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CC[NH+]1C ZINC000565391519 322075797 /nfs/dbraw/zinc/07/57/97/322075797.db2.gz YAYYDZYPIYUSQM-DTJRNEMCSA-N 2 2 294.389 3.393 20 0 CGADLP Cc1[nH]c(CNC[C@@H](C(C)C)[NH+]2CCCCCC2)[nH+]c1C ZINC000565551540 322081840 /nfs/dbraw/zinc/08/18/40/322081840.db2.gz ZHNFVBCLSAYOMF-INIZCTEOSA-N 2 2 292.471 3.017 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000567864000 322180833 /nfs/dbraw/zinc/18/08/33/322180833.db2.gz GJIHVYCAUGXFLW-CADBVGFASA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000567864000 322180835 /nfs/dbraw/zinc/18/08/35/322180835.db2.gz GJIHVYCAUGXFLW-CADBVGFASA-N 2 2 284.447 3.397 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568407798 322208232 /nfs/dbraw/zinc/20/82/32/322208232.db2.gz RUUPAMDKAPOITG-GDBMZVCRSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000568407798 322208234 /nfs/dbraw/zinc/20/82/34/322208234.db2.gz RUUPAMDKAPOITG-GDBMZVCRSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H]1CCn2cc[nH+]c2C1 ZINC000570628331 322278239 /nfs/dbraw/zinc/27/82/39/322278239.db2.gz RSZVVRNUEXZKLI-CYBMUJFWSA-N 2 2 278.359 3.167 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000571920442 322312276 /nfs/dbraw/zinc/31/22/76/322312276.db2.gz UMCJYPNQWHQKLZ-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1ccc(COc2ccc([C@@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000573235785 322376974 /nfs/dbraw/zinc/37/69/74/322376974.db2.gz OZZWPQXDOCWRPI-GFCCVEGCSA-N 2 2 256.349 3.297 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573371099 322384422 /nfs/dbraw/zinc/38/44/22/322384422.db2.gz VPEFJEYXHRZZNJ-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573371099 322384424 /nfs/dbraw/zinc/38/44/24/322384424.db2.gz VPEFJEYXHRZZNJ-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccoc1 ZINC000575791268 322489736 /nfs/dbraw/zinc/48/97/36/322489736.db2.gz IPYOCLPRRVDABC-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000394394395 327362737 /nfs/dbraw/zinc/36/27/37/327362737.db2.gz BSVRYWANZSKDKT-LAQRGFTBSA-N 2 2 274.452 3.499 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582853048 329280446 /nfs/dbraw/zinc/28/04/46/329280446.db2.gz ZBSRTRJQLOVMIQ-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000582853048 329280448 /nfs/dbraw/zinc/28/04/48/329280448.db2.gz ZBSRTRJQLOVMIQ-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccncn1)[N@H+](C)Cc1ccccc1 ZINC000379641210 330146065 /nfs/dbraw/zinc/14/60/65/330146065.db2.gz CXQRSIYLYLSYOP-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccncn1)[N@@H+](C)Cc1ccccc1 ZINC000379641210 330146067 /nfs/dbraw/zinc/14/60/67/330146067.db2.gz CXQRSIYLYLSYOP-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000576100162 335153652 /nfs/dbraw/zinc/15/36/52/335153652.db2.gz SHNSLYVHQJKVEZ-BBRMVZONSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000576100162 335153653 /nfs/dbraw/zinc/15/36/53/335153653.db2.gz SHNSLYVHQJKVEZ-BBRMVZONSA-N 2 2 278.465 3.286 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)sc1C ZINC000176379450 335266345 /nfs/dbraw/zinc/26/63/45/335266345.db2.gz CIEKLWFEDHVDST-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)sc1C ZINC000176379450 335266346 /nfs/dbraw/zinc/26/63/46/335266346.db2.gz CIEKLWFEDHVDST-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC1(C)CC1)c1cccc(OC)c1 ZINC000577591792 335374876 /nfs/dbraw/zinc/37/48/76/335374876.db2.gz MVPKXKGSWTXMDJ-QGZVFWFLSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000577681490 335388049 /nfs/dbraw/zinc/38/80/49/335388049.db2.gz VBFLHULBJXRJME-TUUVXOQKSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000577681490 335388050 /nfs/dbraw/zinc/38/80/50/335388050.db2.gz VBFLHULBJXRJME-TUUVXOQKSA-N 2 2 294.389 3.140 20 0 CGADLP Cc1cc(OCCC2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000581066267 336002761 /nfs/dbraw/zinc/00/27/61/336002761.db2.gz FIAJIOPITDOSLG-UHFFFAOYSA-N 2 2 270.376 3.312 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](c3ccccc3C)C2)n1C ZINC000581142127 336015428 /nfs/dbraw/zinc/01/54/28/336015428.db2.gz HXARFQACDPXMDD-SHTZXODSSA-N 2 2 269.392 3.073 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)n1C ZINC000581321266 336048739 /nfs/dbraw/zinc/04/87/39/336048739.db2.gz DPKONDCDAZLILE-UHFFFAOYSA-N 2 2 291.826 3.449 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337625 336052448 /nfs/dbraw/zinc/05/24/48/336052448.db2.gz RRNKVLNZWLPANI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337625 336052449 /nfs/dbraw/zinc/05/24/49/336052449.db2.gz RRNKVLNZWLPANI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337625 336052450 /nfs/dbraw/zinc/05/24/50/336052450.db2.gz RRNKVLNZWLPANI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337625 336052451 /nfs/dbraw/zinc/05/24/51/336052451.db2.gz RRNKVLNZWLPANI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000382031001 336080692 /nfs/dbraw/zinc/08/06/92/336080692.db2.gz DJDGBCRSHJJEBU-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000382031001 336080693 /nfs/dbraw/zinc/08/06/93/336080693.db2.gz DJDGBCRSHJJEBU-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581469225 336084788 /nfs/dbraw/zinc/08/47/88/336084788.db2.gz PFJBLWFBOIDFHU-CYGHRXIMSA-N 2 2 290.451 3.143 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385950766 336163228 /nfs/dbraw/zinc/16/32/28/336163228.db2.gz CRKHRPWKYZVRHO-NWANDNLSSA-N 2 2 276.449 3.344 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000386949603 336182791 /nfs/dbraw/zinc/18/27/91/336182791.db2.gz XEIQFYIUWQLCAT-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000386949603 336182793 /nfs/dbraw/zinc/18/27/93/336182793.db2.gz XEIQFYIUWQLCAT-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978360 500933225 /nfs/dbraw/zinc/93/32/25/500933225.db2.gz NYWPGNGCVCFELS-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978360 500933229 /nfs/dbraw/zinc/93/32/29/500933229.db2.gz NYWPGNGCVCFELS-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637978360 500933233 /nfs/dbraw/zinc/93/32/33/500933233.db2.gz NYWPGNGCVCFELS-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637978360 500933237 /nfs/dbraw/zinc/93/32/37/500933237.db2.gz NYWPGNGCVCFELS-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423246164 533774519 /nfs/dbraw/zinc/77/45/19/533774519.db2.gz PNYXUYFSJKEUJK-GUYCJALGSA-N 2 2 270.376 3.046 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1(c2ccccc2)CCCC1 ZINC000414129613 533875778 /nfs/dbraw/zinc/87/57/78/533875778.db2.gz VMQVJDNUIOTFSN-INIZCTEOSA-N 2 2 297.446 3.453 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414064954 533934385 /nfs/dbraw/zinc/93/43/85/533934385.db2.gz NTJUMSFCTIXZAG-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000155944436 533949901 /nfs/dbraw/zinc/94/99/01/533949901.db2.gz ZOLRCRGXBXWWCG-WBVHZDCISA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000155944436 533949908 /nfs/dbraw/zinc/94/99/08/533949908.db2.gz ZOLRCRGXBXWWCG-WBVHZDCISA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000427856042 533992242 /nfs/dbraw/zinc/99/22/42/533992242.db2.gz UXKMHQUBUKIRPP-KBXCAEBGSA-N 2 2 295.430 3.428 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370130 534107970 /nfs/dbraw/zinc/10/79/70/534107970.db2.gz IQPCBCNVYDQFJU-DFULUXCASA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370130 534107972 /nfs/dbraw/zinc/10/79/72/534107972.db2.gz IQPCBCNVYDQFJU-DFULUXCASA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300422 534204746 /nfs/dbraw/zinc/20/47/46/534204746.db2.gz MHOHSMUKMNFABF-RHSMWYFYSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300422 534204749 /nfs/dbraw/zinc/20/47/49/534204749.db2.gz MHOHSMUKMNFABF-RHSMWYFYSA-N 2 2 269.392 3.346 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCCC2)CC1 ZINC000359119870 534382387 /nfs/dbraw/zinc/38/23/87/534382387.db2.gz XPIAAWXEGHHMAS-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000366984958 534435172 /nfs/dbraw/zinc/43/51/72/534435172.db2.gz YUGMMQSXOHAKKS-HNNXBMFYSA-N 2 2 293.773 3.107 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000366984958 534435181 /nfs/dbraw/zinc/43/51/81/534435181.db2.gz YUGMMQSXOHAKKS-HNNXBMFYSA-N 2 2 293.773 3.107 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498466 534498331 /nfs/dbraw/zinc/49/83/31/534498331.db2.gz BEPRVBSYFWNIQF-GBESFXJTSA-N 2 2 296.389 3.158 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427122877 534521313 /nfs/dbraw/zinc/52/13/13/534521313.db2.gz UCXJQOFBERIGHD-LRDDRELGSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427122877 534521316 /nfs/dbraw/zinc/52/13/16/534521316.db2.gz UCXJQOFBERIGHD-LRDDRELGSA-N 2 2 296.817 3.096 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cncs1 ZINC000163873044 521646793 /nfs/dbraw/zinc/64/67/93/521646793.db2.gz XLSIHNKAWJILEF-ZDUSSCGKSA-N 2 2 269.458 3.306 20 0 CGADLP Clc1ccsc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366047626 534655248 /nfs/dbraw/zinc/65/52/48/534655248.db2.gz FKYAITJRIOOGAW-GFCCVEGCSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1ccsc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366047626 534655255 /nfs/dbraw/zinc/65/52/55/534655255.db2.gz FKYAITJRIOOGAW-GFCCVEGCSA-N 2 2 294.807 3.450 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000234217942 524057452 /nfs/dbraw/zinc/05/74/52/524057452.db2.gz GQTOKJSJNDFKJY-UHFFFAOYSA-N 2 2 267.225 3.096 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129847854 525197626 /nfs/dbraw/zinc/19/76/26/525197626.db2.gz PJEJGPFVMIYDSL-YQQAZPJKSA-N 2 2 272.436 3.141 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129847854 525197638 /nfs/dbraw/zinc/19/76/38/525197638.db2.gz PJEJGPFVMIYDSL-YQQAZPJKSA-N 2 2 272.436 3.141 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151724707 525655492 /nfs/dbraw/zinc/65/54/92/525655492.db2.gz ZCMVBMBVYHRFED-HUUCEWRRSA-N 2 2 299.418 3.338 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163782989 526370615 /nfs/dbraw/zinc/37/06/15/526370615.db2.gz JUDBSISVIWLWOL-INIZCTEOSA-N 2 2 285.366 3.300 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@H]2CCc3ccccc32)c[nH+]1 ZINC000151492458 526529461 /nfs/dbraw/zinc/52/94/61/526529461.db2.gz COFYAAPXLFOQPV-KRWDZBQOSA-N 2 2 290.370 3.044 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc21 ZINC000157435102 527419100 /nfs/dbraw/zinc/41/91/00/527419100.db2.gz UWWVZIRYOVEUFB-HOTGVXAUSA-N 2 2 274.314 3.199 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000449062701 527830004 /nfs/dbraw/zinc/83/00/04/527830004.db2.gz JXLKKADMKJGLTJ-CVEARBPZSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000414129602 527871416 /nfs/dbraw/zinc/87/14/16/527871416.db2.gz VLDLXPFSSYDOMK-QZTJIDSGSA-N 2 2 283.419 3.437 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423356774 527873374 /nfs/dbraw/zinc/87/33/74/527873374.db2.gz KNTUNLQJBHFSEP-KBRIMQKVSA-N 2 2 258.409 3.213 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000414143856 528102265 /nfs/dbraw/zinc/10/22/65/528102265.db2.gz LXVAJJXDIHGIRC-JLJPHGGASA-N 2 2 285.391 3.090 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423359533 528238205 /nfs/dbraw/zinc/23/82/05/528238205.db2.gz KUSAULZCWZMYLD-KWCYVHTRSA-N 2 2 252.427 3.177 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358222972 528295605 /nfs/dbraw/zinc/29/56/05/528295605.db2.gz ISCKAMDAXDUCIX-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358222972 528295613 /nfs/dbraw/zinc/29/56/13/528295613.db2.gz ISCKAMDAXDUCIX-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423246976 528332477 /nfs/dbraw/zinc/33/24/77/528332477.db2.gz OIVLAQWNKJQCEG-SFHVURJKSA-N 2 2 268.404 3.170 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423390577 528421736 /nfs/dbraw/zinc/42/17/36/528421736.db2.gz WIEFLZRWPURZSJ-MNOVXSKESA-N 2 2 274.330 3.354 20 0 CGADLP CCC[NH2+]CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423309385 528509034 /nfs/dbraw/zinc/50/90/34/528509034.db2.gz LFPIYGMRGZMAJO-UHFFFAOYSA-N 2 2 266.388 3.346 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000424160959 528630527 /nfs/dbraw/zinc/63/05/27/528630527.db2.gz XTBLCKZHNOARJJ-UHFFFAOYSA-N 2 2 270.380 3.022 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000424160959 528630532 /nfs/dbraw/zinc/63/05/32/528630532.db2.gz XTBLCKZHNOARJJ-UHFFFAOYSA-N 2 2 270.380 3.022 20 0 CGADLP CC(C)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000355075326 528699238 /nfs/dbraw/zinc/69/92/38/528699238.db2.gz AXQAXXIKNSAKOR-MRXNPFEDSA-N 2 2 269.392 3.350 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000355075326 528699243 /nfs/dbraw/zinc/69/92/43/528699243.db2.gz AXQAXXIKNSAKOR-MRXNPFEDSA-N 2 2 269.392 3.350 20 0 CGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427104289 528702526 /nfs/dbraw/zinc/70/25/26/528702526.db2.gz MUWFABFKNILIGO-DOTOQJQBSA-N 2 2 288.435 3.049 20 0 CGADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427104289 528702529 /nfs/dbraw/zinc/70/25/29/528702529.db2.gz MUWFABFKNILIGO-DOTOQJQBSA-N 2 2 288.435 3.049 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423293832 528821180 /nfs/dbraw/zinc/82/11/80/528821180.db2.gz AVNSNEFVSWQFBJ-IINYFYTJSA-N 2 2 268.351 3.059 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423293349 528953310 /nfs/dbraw/zinc/95/33/10/528953310.db2.gz RAWCQBNIGOULOA-LLVKDONJSA-N 2 2 286.341 3.198 20 0 CGADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423898880 528964995 /nfs/dbraw/zinc/96/49/95/528964995.db2.gz GEAXQJDXROXYSZ-OAHLLOKOSA-N 2 2 299.374 3.248 20 0 CGADLP CCOC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152979598 528976124 /nfs/dbraw/zinc/97/61/24/528976124.db2.gz RVDNJMODMXYNNJ-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152979598 528976128 /nfs/dbraw/zinc/97/61/28/528976128.db2.gz RVDNJMODMXYNNJ-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000423224672 529166295 /nfs/dbraw/zinc/16/62/95/529166295.db2.gz JVCVPEABYOHFGF-GFCCVEGCSA-N 2 2 261.196 3.254 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423322186 529178412 /nfs/dbraw/zinc/17/84/12/529178412.db2.gz NSPGOPUIYRXEMU-QWHCGFSZSA-N 2 2 284.350 3.066 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000368495113 529223415 /nfs/dbraw/zinc/22/34/15/529223415.db2.gz ILHZGLIWQUPINV-UONOGXRCSA-N 2 2 261.413 3.278 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414128411 529257364 /nfs/dbraw/zinc/25/73/64/529257364.db2.gz RWOSAYFEASHEGM-CYBMUJFWSA-N 2 2 289.448 3.425 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093692849 535585187 /nfs/dbraw/zinc/58/51/87/535585187.db2.gz DUPITRICXZKTLF-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093692849 535585191 /nfs/dbraw/zinc/58/51/91/535585191.db2.gz DUPITRICXZKTLF-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904562 535820086 /nfs/dbraw/zinc/82/00/86/535820086.db2.gz GYIAKBVZBJMRQN-IKGGRYGDSA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904562 535820087 /nfs/dbraw/zinc/82/00/87/535820087.db2.gz GYIAKBVZBJMRQN-IKGGRYGDSA-N 3 2 295.515 3.137 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201131 536464563 /nfs/dbraw/zinc/46/45/63/536464563.db2.gz MDQLIHPHDFDTLI-CRAIPNDOSA-N 2 2 296.414 3.473 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201131 536464564 /nfs/dbraw/zinc/46/45/64/536464564.db2.gz MDQLIHPHDFDTLI-CRAIPNDOSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201131 536464565 /nfs/dbraw/zinc/46/45/65/536464565.db2.gz MDQLIHPHDFDTLI-CRAIPNDOSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201131 536464566 /nfs/dbraw/zinc/46/45/66/536464566.db2.gz MDQLIHPHDFDTLI-CRAIPNDOSA-N 2 2 296.414 3.473 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccccc1-c1ccccc1)[NH+](C)C ZINC000729682533 571929242 /nfs/dbraw/zinc/92/92/42/571929242.db2.gz ZZXXELBPRWWKKM-HNNXBMFYSA-N 2 2 268.404 3.393 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000081636693 617990363 /nfs/dbraw/zinc/99/03/63/617990363.db2.gz FMALOMHZCOXPCX-PVAVHDDUSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846109449 618071219 /nfs/dbraw/zinc/07/12/19/618071219.db2.gz JKBLJVFLRSNPJO-NTZNESFSSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846109449 618071223 /nfs/dbraw/zinc/07/12/23/618071223.db2.gz JKBLJVFLRSNPJO-NTZNESFSSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000925583181 619074127 /nfs/dbraw/zinc/07/41/27/619074127.db2.gz JSPDKSSXYZYQCN-TZMCWYRMSA-N 2 2 266.454 3.196 20 0 CGADLP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000317201038 619245518 /nfs/dbraw/zinc/24/55/18/619245518.db2.gz YPVVJJGYCKQNFQ-ULQDDVLXSA-N 2 2 298.434 3.032 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC000893955045 619340226 /nfs/dbraw/zinc/34/02/26/619340226.db2.gz SPTSPEFQRLVGFK-UHFFFAOYSA-N 2 2 290.432 3.133 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894152467 619394285 /nfs/dbraw/zinc/39/42/85/619394285.db2.gz NMCCGRFXSBNJCJ-UHFFFAOYSA-N 2 2 295.839 3.134 20 0 CGADLP C[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112619 619736864 /nfs/dbraw/zinc/73/68/64/619736864.db2.gz QIAQGEWZGVUFGB-AJNGGQMLSA-N 2 2 291.464 3.052 20 0 CGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895381452 619818089 /nfs/dbraw/zinc/81/80/89/619818089.db2.gz TXYKSFFTZMDURU-DOTOQJQBSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895381452 619818090 /nfs/dbraw/zinc/81/80/90/619818090.db2.gz TXYKSFFTZMDURU-DOTOQJQBSA-N 2 2 292.471 3.016 20 0 CGADLP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000895672468 619869740 /nfs/dbraw/zinc/86/97/40/619869740.db2.gz ZJSSSOZUERCUOZ-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP FC(F)C1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000895706432 619873120 /nfs/dbraw/zinc/87/31/20/619873120.db2.gz KQGNKWUSNRIVNV-NRXISQOPSA-N 2 2 291.345 3.258 20 0 CGADLP COCC1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000895706510 619873206 /nfs/dbraw/zinc/87/32/06/619873206.db2.gz MIUKAQUJELAWAY-KRWDZBQOSA-N 2 2 299.418 3.031 20 0 CGADLP CC[C@H](C)[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)OC ZINC000896193410 619965001 /nfs/dbraw/zinc/96/50/01/619965001.db2.gz BIFFUXBTWHLHBB-GOEBONIOSA-N 2 2 291.439 3.019 20 0 CGADLP CCC[C@@H](O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927021586 620563209 /nfs/dbraw/zinc/56/32/09/620563209.db2.gz NYTVGHSOZOEEHK-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP CC(C)c1ccc(-c2cc(C[NH+]3CCC([NH3+])CC3)on2)cc1 ZINC000901389453 620871920 /nfs/dbraw/zinc/87/19/20/620871920.db2.gz AZVADJCUAKUKAF-UHFFFAOYSA-N 2 2 299.418 3.388 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000902181423 621178273 /nfs/dbraw/zinc/17/82/73/621178273.db2.gz LYDTXTCCCXYCLN-UHFFFAOYSA-N 2 2 298.434 3.414 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902317442 621251598 /nfs/dbraw/zinc/25/15/98/621251598.db2.gz DYHCWARUMYKHPM-NWDGAFQWSA-N 2 2 281.469 3.134 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(Cl)c1F ZINC000902406576 621292980 /nfs/dbraw/zinc/29/29/80/621292980.db2.gz OFYBBWXIYBDYBD-NSHDSACASA-N 2 2 256.752 3.011 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000902432413 621315903 /nfs/dbraw/zinc/31/59/03/621315903.db2.gz HSQGPBSOTLCOIY-BBNOBNGHSA-N 2 2 298.352 3.322 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC000902437865 621318743 /nfs/dbraw/zinc/31/87/43/621318743.db2.gz KTOFKTOXUUWONH-BZUAXINKSA-N 2 2 299.443 3.043 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000902413463 621323308 /nfs/dbraw/zinc/32/33/08/621323308.db2.gz LVZPMZYTYRRDTQ-LLVKDONJSA-N 2 2 271.191 3.062 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1F ZINC000902413963 621323870 /nfs/dbraw/zinc/32/38/70/621323870.db2.gz PZTMWVQCBZOTHF-ZDUSSCGKSA-N 2 2 270.779 3.257 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2c(s1)CCCC2 ZINC000902474455 621325279 /nfs/dbraw/zinc/32/52/79/621325279.db2.gz FLQQFPPXAQTUKH-AHLTXXRQSA-N 2 2 276.449 3.170 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000902721144 621409692 /nfs/dbraw/zinc/40/96/92/621409692.db2.gz USHMBPSHSGDBKY-LLVKDONJSA-N 2 2 298.312 3.038 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000902790825 621448501 /nfs/dbraw/zinc/44/85/01/621448501.db2.gz SAZSFFWPGQDCJE-JKSUJKDBSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841765 621470522 /nfs/dbraw/zinc/47/05/22/621470522.db2.gz RWTKTPXCKOOFDB-ZOBUZTSGSA-N 2 2 299.418 3.074 20 0 CGADLP CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871874 621475544 /nfs/dbraw/zinc/47/55/44/621475544.db2.gz AMVVQLYAGAPVPJ-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000902995565 621517326 /nfs/dbraw/zinc/51/73/26/621517326.db2.gz NTGRMEKCIYPJLF-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](F)C1 ZINC000902995565 621517338 /nfs/dbraw/zinc/51/73/38/621517338.db2.gz NTGRMEKCIYPJLF-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006115 621528584 /nfs/dbraw/zinc/52/85/84/621528584.db2.gz DBPYPPKZDPURJP-XJKSGUPXSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903010979 621533035 /nfs/dbraw/zinc/53/30/35/621533035.db2.gz ABHCCCYSJOSXQW-UWWQBHOKSA-N 2 2 299.418 3.074 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000903023328 621541785 /nfs/dbraw/zinc/54/17/85/621541785.db2.gz DHCQAAVQVFEXLL-HUUCEWRRSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C(F)F ZINC000903377330 621721477 /nfs/dbraw/zinc/72/14/77/621721477.db2.gz KVTBDUMLKGVGRH-JSGCOSHPSA-N 2 2 299.409 3.344 20 0 CGADLP c1ccc2cc(C[N@@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC000903867119 621819904 /nfs/dbraw/zinc/81/99/04/621819904.db2.gz YUYRSSGAIXOWEZ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC000903867119 621819906 /nfs/dbraw/zinc/81/99/06/621819906.db2.gz YUYRSSGAIXOWEZ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903893122 621827534 /nfs/dbraw/zinc/82/75/34/621827534.db2.gz QQYMAFRGIGTFHU-AAEUAGOBSA-N 2 2 288.769 3.112 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903893122 621827535 /nfs/dbraw/zinc/82/75/35/621827535.db2.gz QQYMAFRGIGTFHU-AAEUAGOBSA-N 2 2 288.769 3.112 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903932893 621834802 /nfs/dbraw/zinc/83/48/02/621834802.db2.gz XCOHNEHSZBYISQ-GFCCVEGCSA-N 2 2 296.361 3.464 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903932893 621834804 /nfs/dbraw/zinc/83/48/04/621834804.db2.gz XCOHNEHSZBYISQ-GFCCVEGCSA-N 2 2 296.361 3.464 20 0 CGADLP CCC1([NH3+])CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000903946053 621839736 /nfs/dbraw/zinc/83/97/36/621839736.db2.gz HFJIUMUUFCSOQQ-ARJAWSKDSA-N 2 2 280.362 3.181 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc2cccnc12 ZINC000904429951 621919821 /nfs/dbraw/zinc/91/98/21/621919821.db2.gz BYKOKBGZCZJGGW-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc2cccnc12 ZINC000904429951 621919824 /nfs/dbraw/zinc/91/98/24/621919824.db2.gz BYKOKBGZCZJGGW-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431094 621921311 /nfs/dbraw/zinc/92/13/11/621921311.db2.gz OIRDEKOZHBTRMA-WMLDXEAASA-N 2 2 276.399 3.147 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431094 621921315 /nfs/dbraw/zinc/92/13/15/621921315.db2.gz OIRDEKOZHBTRMA-WMLDXEAASA-N 2 2 276.399 3.147 20 0 CGADLP CN(C)c1cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cc[nH+]1 ZINC000904850825 622008658 /nfs/dbraw/zinc/00/86/58/622008658.db2.gz ZRVDXBBWKGJCNR-INIZCTEOSA-N 2 2 267.376 3.239 20 0 CGADLP Fc1cccc([C@H]2C[C@@H]2[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000906589572 622251080 /nfs/dbraw/zinc/25/10/80/622251080.db2.gz DOAVQXMEPOVWGZ-SJORKVTESA-N 2 2 285.366 3.215 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167400338 622934740 /nfs/dbraw/zinc/93/47/40/622934740.db2.gz STRHJJCPFUNGJT-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167400338 622934742 /nfs/dbraw/zinc/93/47/42/622934742.db2.gz STRHJJCPFUNGJT-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Cl)nc1 ZINC000230709916 623264673 /nfs/dbraw/zinc/26/46/73/623264673.db2.gz OMZLHZLZOSNYJE-UHFFFAOYSA-N 2 2 283.847 3.289 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Cl)nc1 ZINC000230709916 623264679 /nfs/dbraw/zinc/26/46/79/623264679.db2.gz OMZLHZLZOSNYJE-UHFFFAOYSA-N 2 2 283.847 3.289 20 0 CGADLP C[N@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862517 623271651 /nfs/dbraw/zinc/27/16/51/623271651.db2.gz DRJXWVQVNJAGIX-ZDUSSCGKSA-N 2 2 272.845 3.223 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862517 623271660 /nfs/dbraw/zinc/27/16/60/623271660.db2.gz DRJXWVQVNJAGIX-ZDUSSCGKSA-N 2 2 272.845 3.223 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000753674794 623478718 /nfs/dbraw/zinc/47/87/18/623478718.db2.gz PXGPRLKVQDBYIT-XJKSGUPXSA-N 2 2 290.451 3.304 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000753674794 623478727 /nfs/dbraw/zinc/47/87/27/623478727.db2.gz PXGPRLKVQDBYIT-XJKSGUPXSA-N 2 2 290.451 3.304 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000922733901 626041534 /nfs/dbraw/zinc/04/15/34/626041534.db2.gz CXOABCAXECWIBK-UHFFFAOYSA-N 2 2 290.373 3.349 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccs1 ZINC000086509790 626075609 /nfs/dbraw/zinc/07/56/09/626075609.db2.gz FEZQPBNQXUWMGA-NEPJUHHUSA-N 2 2 278.425 3.105 20 0 CGADLP CC(C)([NH2+]CCC[NH2+]C1CC1)c1nc2ccccc2s1 ZINC000923398037 626151083 /nfs/dbraw/zinc/15/10/83/626151083.db2.gz IXHVRSAJPREIMG-UHFFFAOYSA-N 2 2 289.448 3.263 20 0 CGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC000765249898 627243714 /nfs/dbraw/zinc/24/37/14/627243714.db2.gz AHXGIIZLWOFXKV-QFBILLFUSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC000765249901 627243744 /nfs/dbraw/zinc/24/37/44/627243744.db2.gz AHXGIIZLWOFXKV-VQIMIIECSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)[NH+]1CCCCC1 ZINC000765251439 627243765 /nfs/dbraw/zinc/24/37/65/627243765.db2.gz FSHUAZVPIPVBNA-VKJFTORMSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000766275635 627310904 /nfs/dbraw/zinc/31/09/04/627310904.db2.gz YAMLEOQSARUBHS-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000766275635 627310908 /nfs/dbraw/zinc/31/09/08/627310908.db2.gz YAMLEOQSARUBHS-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)o1 ZINC000767354487 627400054 /nfs/dbraw/zinc/40/00/54/627400054.db2.gz KZIPJZBDZJPNNH-UHFFFAOYSA-N 2 2 264.413 3.249 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000769874247 627585896 /nfs/dbraw/zinc/58/58/96/627585896.db2.gz JLPJFDKVTAJPRA-YUTCNCBUSA-N 2 2 279.428 3.069 20 0 CGADLP Clc1cscc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000771943082 627748047 /nfs/dbraw/zinc/74/80/47/627748047.db2.gz JHJUJSMGWUIRDI-UHFFFAOYSA-N 2 2 284.856 3.366 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000788989080 629094626 /nfs/dbraw/zinc/09/46/26/629094626.db2.gz VBHZTVHYCSWSDC-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000788989080 629094628 /nfs/dbraw/zinc/09/46/28/629094628.db2.gz VBHZTVHYCSWSDC-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793233496 629433074 /nfs/dbraw/zinc/43/30/74/629433074.db2.gz UFWGHFMDOYZQTC-OFVDZJKFSA-N 2 2 290.373 3.180 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(Cl)n1 ZINC000797592181 629965501 /nfs/dbraw/zinc/96/55/01/629965501.db2.gz PKSWITIFOHSRKC-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(Cl)n1 ZINC000797592181 629965504 /nfs/dbraw/zinc/96/55/04/629965504.db2.gz PKSWITIFOHSRKC-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000797592181 629965507 /nfs/dbraw/zinc/96/55/07/629965507.db2.gz PKSWITIFOHSRKC-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000797592181 629965510 /nfs/dbraw/zinc/96/55/10/629965510.db2.gz PKSWITIFOHSRKC-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP C[Si](C)(C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405381 630274625 /nfs/dbraw/zinc/27/46/25/630274625.db2.gz HWAGZFMJXPVHBX-CQSZACIVSA-N 2 2 291.515 3.276 20 0 CGADLP C[Si](C)(C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800405381 630274628 /nfs/dbraw/zinc/27/46/28/630274628.db2.gz HWAGZFMJXPVHBX-CQSZACIVSA-N 2 2 291.515 3.276 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810253815 630860495 /nfs/dbraw/zinc/86/04/95/630860495.db2.gz DJAYSUNTIZEGNF-OCCSQVGLSA-N 2 2 285.391 3.017 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000815584703 631800109 /nfs/dbraw/zinc/80/01/09/631800109.db2.gz MPWDWSPCBSNEMJ-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000815584703 631800110 /nfs/dbraw/zinc/80/01/10/631800110.db2.gz MPWDWSPCBSNEMJ-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000818340122 632310264 /nfs/dbraw/zinc/31/02/64/632310264.db2.gz ICVIFXDLDCMQBL-UKRRQHHQSA-N 2 2 289.810 3.248 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c2c1 ZINC000866208391 633030074 /nfs/dbraw/zinc/03/00/74/633030074.db2.gz ITMVUKZUFXILRU-DOTOQJQBSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208391 633030077 /nfs/dbraw/zinc/03/00/77/633030077.db2.gz ITMVUKZUFXILRU-DOTOQJQBSA-N 2 2 281.403 3.074 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCn1cc[nH+]c1 ZINC000866215847 633032915 /nfs/dbraw/zinc/03/29/15/633032915.db2.gz MAFGENJXAYWGHX-HNNXBMFYSA-N 2 2 294.402 3.042 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000824962905 633310909 /nfs/dbraw/zinc/31/09/09/633310909.db2.gz JEYZCIWVMHJXMX-MNEFBYGVSA-N 2 2 299.462 3.429 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C3CCC3)C2)s1 ZINC000827626504 633504302 /nfs/dbraw/zinc/50/43/02/633504302.db2.gz AEKSJKPZGKKCHL-AWEZNQCLSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C3CCC3)C2)s1 ZINC000827626504 633504311 /nfs/dbraw/zinc/50/43/11/633504311.db2.gz AEKSJKPZGKKCHL-AWEZNQCLSA-N 2 2 293.480 3.217 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000872016333 633936844 /nfs/dbraw/zinc/93/68/44/633936844.db2.gz IMNNUEXVOAIJMR-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000872016332 633937174 /nfs/dbraw/zinc/93/71/74/633937174.db2.gz IMNNUEXVOAIJMR-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023192 633943137 /nfs/dbraw/zinc/94/31/37/633943137.db2.gz PZHYIMDOCUVRIH-VQHPVUNQSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000872023192 633943140 /nfs/dbraw/zinc/94/31/40/633943140.db2.gz PZHYIMDOCUVRIH-VQHPVUNQSA-N 2 2 296.499 3.433 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)[C@@H]1CCCOC1 ZINC000872036193 633955879 /nfs/dbraw/zinc/95/58/79/633955879.db2.gz SRWJJMLTOFOXKG-IKGGRYGDSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)[C@@H]1CCCOC1 ZINC000872036193 633955881 /nfs/dbraw/zinc/95/58/81/633955881.db2.gz SRWJJMLTOFOXKG-IKGGRYGDSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872041544 633964374 /nfs/dbraw/zinc/96/43/74/633964374.db2.gz UDGBBCHPXVEMAE-XQQFMLRXSA-N 2 2 280.387 3.055 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)[C@H]1CCCOC1 ZINC000872052833 633975435 /nfs/dbraw/zinc/97/54/35/633975435.db2.gz QHWBSRLQMHFANJ-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)[C@H]1CCCOC1 ZINC000872052833 633975439 /nfs/dbraw/zinc/97/54/39/633975439.db2.gz QHWBSRLQMHFANJ-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223168 634290411 /nfs/dbraw/zinc/29/04/11/634290411.db2.gz ILHKVJQMPOICNE-MRXNPFEDSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223168 634290416 /nfs/dbraw/zinc/29/04/16/634290416.db2.gz ILHKVJQMPOICNE-MRXNPFEDSA-N 2 2 295.496 3.463 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)ccc2c1 ZINC000873230444 634293554 /nfs/dbraw/zinc/29/35/54/634293554.db2.gz ROYAQUHROFBVAC-RTBURBONSA-N 2 2 296.414 3.223 20 0 CGADLP CC1(C)Cc2cc(C[NH2+]C[C@H]([NH3+])c3ccccc3)ccc2O1 ZINC000841036856 635110989 /nfs/dbraw/zinc/11/09/89/635110989.db2.gz NNYKQUKGRAKREX-KRWDZBQOSA-N 2 2 296.414 3.190 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc(C)c1OC(F)F ZINC000841064378 635116843 /nfs/dbraw/zinc/11/68/43/635116843.db2.gz FSCHSOVFRIYHEG-JSGCOSHPSA-N 2 2 298.377 3.135 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744499 635180491 /nfs/dbraw/zinc/18/04/91/635180491.db2.gz UVWTVNSVMGCEDJ-QGBYBWSUSA-N 2 2 290.838 3.379 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744499 635180500 /nfs/dbraw/zinc/18/05/00/635180500.db2.gz UVWTVNSVMGCEDJ-QGBYBWSUSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744499 635180508 /nfs/dbraw/zinc/18/05/08/635180508.db2.gz UVWTVNSVMGCEDJ-QGBYBWSUSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744499 635180514 /nfs/dbraw/zinc/18/05/14/635180514.db2.gz UVWTVNSVMGCEDJ-QGBYBWSUSA-N 2 2 290.838 3.379 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252539 635433163 /nfs/dbraw/zinc/43/31/63/635433163.db2.gz ODATVNLWSPHDBX-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252539 635433164 /nfs/dbraw/zinc/43/31/64/635433164.db2.gz ODATVNLWSPHDBX-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878318955 635459044 /nfs/dbraw/zinc/45/90/44/635459044.db2.gz FUZUHPQHDGYFJT-ZWKOTPCHSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878318955 635459051 /nfs/dbraw/zinc/45/90/51/635459051.db2.gz FUZUHPQHDGYFJT-ZWKOTPCHSA-N 2 2 299.418 3.125 20 0 CGADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC(F)(F)C(F)F ZINC000879702482 635839032 /nfs/dbraw/zinc/83/90/32/635839032.db2.gz MONCPSJHLJTEFB-UHFFFAOYSA-N 2 2 298.368 3.187 20 0 CGADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC(F)(F)C(F)F ZINC000879702482 635839035 /nfs/dbraw/zinc/83/90/35/635839035.db2.gz MONCPSJHLJTEFB-UHFFFAOYSA-N 2 2 298.368 3.187 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135966 635921486 /nfs/dbraw/zinc/92/14/86/635921486.db2.gz CUQJNNOKTJGXBX-ZWKOTPCHSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135966 635921489 /nfs/dbraw/zinc/92/14/89/635921489.db2.gz CUQJNNOKTJGXBX-ZWKOTPCHSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCc1ccccc1 ZINC000880135966 635921493 /nfs/dbraw/zinc/92/14/93/635921493.db2.gz CUQJNNOKTJGXBX-ZWKOTPCHSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCc1ccccc1 ZINC000880135966 635921500 /nfs/dbraw/zinc/92/15/00/635921500.db2.gz CUQJNNOKTJGXBX-ZWKOTPCHSA-N 2 2 272.436 3.178 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472633 636007016 /nfs/dbraw/zinc/00/70/16/636007016.db2.gz WKVWHWBBCMUJRD-DLBZAZTESA-N 2 2 294.483 3.142 20 0 CGADLP CCOC1CC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568581 636022761 /nfs/dbraw/zinc/02/27/61/636022761.db2.gz AOQACDPKSJPTLN-VMWRSERWSA-N 2 2 299.418 3.029 20 0 CGADLP CCO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000880570646 636023711 /nfs/dbraw/zinc/02/37/11/636023711.db2.gz XMXRZWXTJFAWTE-QZTJIDSGSA-N 2 2 299.418 3.029 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000880570524 636024149 /nfs/dbraw/zinc/02/41/49/636024149.db2.gz WZUBEQARWYFBOL-FUHWJXTLSA-N 2 2 299.418 3.031 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000848575201 636612477 /nfs/dbraw/zinc/61/24/77/636612477.db2.gz LUZYGIZKOYZAJJ-XDNAFOTISA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000848575201 636612490 /nfs/dbraw/zinc/61/24/90/636612490.db2.gz LUZYGIZKOYZAJJ-XDNAFOTISA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000848575198 636612901 /nfs/dbraw/zinc/61/29/01/636612901.db2.gz LUZYGIZKOYZAJJ-BDXSIMOUSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000848575198 636612908 /nfs/dbraw/zinc/61/29/08/636612908.db2.gz LUZYGIZKOYZAJJ-BDXSIMOUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883346823 636692110 /nfs/dbraw/zinc/69/21/10/636692110.db2.gz HETWIFXLZRIPTJ-OLMNPRSZSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883346823 636692114 /nfs/dbraw/zinc/69/21/14/636692114.db2.gz HETWIFXLZRIPTJ-OLMNPRSZSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000883387785 636728248 /nfs/dbraw/zinc/72/82/48/636728248.db2.gz FCVGRGHGISEORF-MXSMSXNCSA-N 2 2 299.418 3.170 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388085 636730886 /nfs/dbraw/zinc/73/08/86/636730886.db2.gz LWWFAXJLPJKPPL-CVEARBPZSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850421389 637055084 /nfs/dbraw/zinc/05/50/84/637055084.db2.gz TUWRZUHVOSHJRQ-GOEBONIOSA-N 2 2 297.402 3.235 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000135919992 637227290 /nfs/dbraw/zinc/22/72/90/637227290.db2.gz KGPCVIRYCFHTKJ-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000135919992 637227296 /nfs/dbraw/zinc/22/72/96/637227296.db2.gz KGPCVIRYCFHTKJ-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP c1cnc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000886537422 637561875 /nfs/dbraw/zinc/56/18/75/637561875.db2.gz ZYHZAMVAJKZGAH-KRWDZBQOSA-N 2 2 285.435 3.066 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000886710787 637667916 /nfs/dbraw/zinc/66/79/16/637667916.db2.gz GFZOPOVYMQPLBJ-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ncccc1Cl ZINC000924533034 638352710 /nfs/dbraw/zinc/35/27/10/638352710.db2.gz IBPUZPZIOSSWDZ-CQSZACIVSA-N 2 2 292.814 3.453 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000924541865 638356670 /nfs/dbraw/zinc/35/66/70/638356670.db2.gz JOHWIKHOYOJDPZ-OAHLLOKOSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924580752 638367421 /nfs/dbraw/zinc/36/74/21/638367421.db2.gz YPSSZYYDGPGUJQ-OAHLLOKOSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659242 638385413 /nfs/dbraw/zinc/38/54/13/638385413.db2.gz DQTSJSHAHPQLRQ-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659242 638385418 /nfs/dbraw/zinc/38/54/18/638385418.db2.gz DQTSJSHAHPQLRQ-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1(Cl)CC1 ZINC000924927301 638425540 /nfs/dbraw/zinc/42/55/40/638425540.db2.gz OZLBTZSYOJJXFY-GFCCVEGCSA-N 2 2 267.804 3.023 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169300 638466348 /nfs/dbraw/zinc/46/63/48/638466348.db2.gz GWIKSZDNCPDUDZ-GJZGRUSLSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169300 638466353 /nfs/dbraw/zinc/46/63/53/638466353.db2.gz GWIKSZDNCPDUDZ-GJZGRUSLSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn(C)cn1 ZINC000925185484 638469806 /nfs/dbraw/zinc/46/98/06/638469806.db2.gz ZSKOBUYVIFHDDS-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)co2)cc1 ZINC000925527395 638520322 /nfs/dbraw/zinc/52/03/22/638520322.db2.gz NNYSBIOKTDKPCS-HOTGVXAUSA-N 2 2 297.402 3.010 20 0 CGADLP CCOCCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000925544390 638523876 /nfs/dbraw/zinc/52/38/76/638523876.db2.gz QRFKOLCIGSVVTC-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP CCOCCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000925544390 638523879 /nfs/dbraw/zinc/52/38/79/638523879.db2.gz QRFKOLCIGSVVTC-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925545205 638525177 /nfs/dbraw/zinc/52/51/77/638525177.db2.gz DWLSEILCMINVMG-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)noc2c1 ZINC000925709830 638575530 /nfs/dbraw/zinc/57/55/30/638575530.db2.gz ADPDTMHNMFIJJJ-CVEARBPZSA-N 2 2 299.418 3.086 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000925731054 638586448 /nfs/dbraw/zinc/58/64/48/638586448.db2.gz JDWJLFZCWXHCEU-OLMNPRSZSA-N 2 2 286.419 3.044 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]c1C ZINC000925768836 638603854 /nfs/dbraw/zinc/60/38/54/638603854.db2.gz LHYJPEDYOSBOLV-JKSUJKDBSA-N 2 2 253.349 3.255 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858286309 638672441 /nfs/dbraw/zinc/67/24/41/638672441.db2.gz VZAQIDVZFWWRAY-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858286309 638672444 /nfs/dbraw/zinc/67/24/44/638672444.db2.gz VZAQIDVZFWWRAY-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](C1CCC1)C1CCCC1)CC2 ZINC000926229269 638747295 /nfs/dbraw/zinc/74/72/95/638747295.db2.gz LOBFKVAPBBMEMK-WBVHZDCISA-N 2 2 273.424 3.146 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000926290596 638759877 /nfs/dbraw/zinc/75/98/77/638759877.db2.gz OYCSBVAQZDFQPK-XLMXVRBTSA-N 2 2 280.481 3.020 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000926290596 638759879 /nfs/dbraw/zinc/75/98/79/638759879.db2.gz OYCSBVAQZDFQPK-XLMXVRBTSA-N 2 2 280.481 3.020 20 0 CGADLP CCc1noc(C)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926482137 638775646 /nfs/dbraw/zinc/77/56/46/638775646.db2.gz OSBLNMLRAUPACV-UHFFFAOYSA-N 2 2 293.455 3.146 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000926580072 638787552 /nfs/dbraw/zinc/78/75/52/638787552.db2.gz LBFQSAIVQBWZLK-CENPHQPOSA-N 2 2 287.451 3.099 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000926580072 638787554 /nfs/dbraw/zinc/78/75/54/638787554.db2.gz LBFQSAIVQBWZLK-CENPHQPOSA-N 2 2 287.451 3.099 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926801565 638813718 /nfs/dbraw/zinc/81/37/18/638813718.db2.gz NMSPLSSGGPYUAW-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926801565 638813720 /nfs/dbraw/zinc/81/37/20/638813720.db2.gz NMSPLSSGGPYUAW-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000926962423 638829298 /nfs/dbraw/zinc/82/92/98/638829298.db2.gz LZGBZHBUAUHIBP-WDEREUQCSA-N 2 2 290.860 3.019 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104204 638842686 /nfs/dbraw/zinc/84/26/86/638842686.db2.gz JVMGJFKYBGHQMD-JZXOWHBKSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927104204 638842687 /nfs/dbraw/zinc/84/26/87/638842687.db2.gz JVMGJFKYBGHQMD-JZXOWHBKSA-N 2 2 296.499 3.290 20 0 CGADLP C(C[C@@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000927123833 638845697 /nfs/dbraw/zinc/84/56/97/638845697.db2.gz CBSLCLWKIMGZGD-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C(C[C@@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000927123833 638845699 /nfs/dbraw/zinc/84/56/99/638845699.db2.gz CBSLCLWKIMGZGD-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689958 638941484 /nfs/dbraw/zinc/94/14/84/638941484.db2.gz JXQXPNVLUJWTSS-GDBMZVCRSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689958 638941485 /nfs/dbraw/zinc/94/14/85/638941485.db2.gz JXQXPNVLUJWTSS-GDBMZVCRSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929722357 638945352 /nfs/dbraw/zinc/94/53/52/638945352.db2.gz MIHVCBWKXQCXHW-DZGCQCFKSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929722357 638945354 /nfs/dbraw/zinc/94/53/54/638945354.db2.gz MIHVCBWKXQCXHW-DZGCQCFKSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000929722357 638945356 /nfs/dbraw/zinc/94/53/56/638945356.db2.gz MIHVCBWKXQCXHW-DZGCQCFKSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000929722357 638945358 /nfs/dbraw/zinc/94/53/58/638945358.db2.gz MIHVCBWKXQCXHW-DZGCQCFKSA-N 2 2 279.403 3.088 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929777562 638949822 /nfs/dbraw/zinc/94/98/22/638949822.db2.gz DEDAEPBPBZYODG-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929777562 638949823 /nfs/dbraw/zinc/94/98/23/638949823.db2.gz DEDAEPBPBZYODG-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)C2CCC(F)CC2)c(C)[nH+]1 ZINC000931057195 639104981 /nfs/dbraw/zinc/10/49/81/639104981.db2.gz LWOYXQKHJSNUIX-ALXWSUNGSA-N 2 2 253.365 3.033 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000931351055 639139350 /nfs/dbraw/zinc/13/93/50/639139350.db2.gz FFSGBPMDTJODCN-MRXNPFEDSA-N 2 2 276.399 3.229 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353078 639139612 /nfs/dbraw/zinc/13/96/12/639139612.db2.gz ASWRFPBJSLNUIW-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511879 639162820 /nfs/dbraw/zinc/16/28/20/639162820.db2.gz CHRXZTDKZGAFNY-QGZVFWFLSA-N 2 2 285.366 3.312 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511879 639162825 /nfs/dbraw/zinc/16/28/25/639162825.db2.gz CHRXZTDKZGAFNY-QGZVFWFLSA-N 2 2 285.366 3.312 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c(C)[nH+]1 ZINC000931705778 639192770 /nfs/dbraw/zinc/19/27/70/639192770.db2.gz PZCCHGIMTJNOKA-GUYCJALGSA-N 2 2 267.376 3.461 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c(C)[nH+]1 ZINC000931705778 639192776 /nfs/dbraw/zinc/19/27/76/639192776.db2.gz PZCCHGIMTJNOKA-GUYCJALGSA-N 2 2 267.376 3.461 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931724598 639196631 /nfs/dbraw/zinc/19/66/31/639196631.db2.gz KLQTUBBHLPXBQH-UAGQMJEPSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931724598 639196636 /nfs/dbraw/zinc/19/66/36/639196636.db2.gz KLQTUBBHLPXBQH-UAGQMJEPSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000931724598 639196640 /nfs/dbraw/zinc/19/66/40/639196640.db2.gz KLQTUBBHLPXBQH-UAGQMJEPSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@H](C)[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1 ZINC000931724598 639196647 /nfs/dbraw/zinc/19/66/47/639196647.db2.gz KLQTUBBHLPXBQH-UAGQMJEPSA-N 2 2 258.409 3.225 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1OC ZINC000932475558 639340537 /nfs/dbraw/zinc/34/05/37/639340537.db2.gz UYEQPJQSJDYTBB-HNNXBMFYSA-N 2 2 291.370 3.162 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063274 639899789 /nfs/dbraw/zinc/89/97/89/639899789.db2.gz BEAFAPHXJRNJMT-UHFFFAOYSA-N 2 2 287.407 3.098 20 0 CGADLP Clc1ccc(C2CC([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000041119520 639900964 /nfs/dbraw/zinc/90/09/64/639900964.db2.gz ZOKIUZUTTWKWBK-UHFFFAOYSA-N 2 2 275.783 3.072 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@@H](C)C1 ZINC000245557974 640627701 /nfs/dbraw/zinc/62/77/01/640627701.db2.gz GHJPHBVYKHDNHV-WMLDXEAASA-N 2 2 287.451 3.211 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@@H](C)C1 ZINC000245557974 640627703 /nfs/dbraw/zinc/62/77/03/640627703.db2.gz GHJPHBVYKHDNHV-WMLDXEAASA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H](C)C1 ZINC000245557974 640627710 /nfs/dbraw/zinc/62/77/10/640627710.db2.gz GHJPHBVYKHDNHV-WMLDXEAASA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H](C)C1 ZINC000245557974 640627711 /nfs/dbraw/zinc/62/77/11/640627711.db2.gz GHJPHBVYKHDNHV-WMLDXEAASA-N 2 2 287.451 3.211 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)oc2C)CC1 ZINC000092165705 640732246 /nfs/dbraw/zinc/73/22/46/640732246.db2.gz VAXQJKDLSYPTDE-UHFFFAOYSA-N 2 2 264.413 3.203 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)oc2C)CC1 ZINC000092165705 640732250 /nfs/dbraw/zinc/73/22/50/640732250.db2.gz VAXQJKDLSYPTDE-UHFFFAOYSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc2ccccc2c(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000302078736 721893724 /nfs/dbraw/zinc/89/37/24/721893724.db2.gz XECADVAXEJXNEX-HNNXBMFYSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N(C)CC1CC[NH+](C)CC1 ZINC000571041397 721933965 /nfs/dbraw/zinc/93/39/65/721933965.db2.gz QEDFZAWLMOEQHV-UHFFFAOYSA-N 2 2 283.419 3.321 20 0 CGADLP COc1ccc2cc[nH+]c(N(C)CC3CC[NH+](C)CC3)c2c1 ZINC001165042119 721935846 /nfs/dbraw/zinc/93/58/46/721935846.db2.gz GEFCGSCIAGVOOG-UHFFFAOYSA-N 2 2 299.418 3.021 20 0 CGADLP C[NH+](C)CC1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165042995 721951298 /nfs/dbraw/zinc/95/12/98/721951298.db2.gz WTWKWZSZAPMNNJ-UHFFFAOYSA-N 2 2 275.440 3.157 20 0 CGADLP CCOc1ccc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156051591 805646287 /nfs/dbraw/zinc/64/62/87/805646287.db2.gz CMFWMXXCHHKCRS-UHFFFAOYSA-N 2 2 285.391 3.154 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001156385898 805681503 /nfs/dbraw/zinc/68/15/03/805681503.db2.gz LUDVLSGOZSCLAR-ZDUSSCGKSA-N 2 2 279.453 3.337 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156385898 805681510 /nfs/dbraw/zinc/68/15/10/805681510.db2.gz LUDVLSGOZSCLAR-ZDUSSCGKSA-N 2 2 279.453 3.337 20 0 CGADLP Cc1nc(NC2(C)CC[NH2+]CC2)cc(C2CCCCC2)[nH+]1 ZINC001157403840 805806619 /nfs/dbraw/zinc/80/66/19/805806619.db2.gz WYEFSKGKRNDLJQ-UHFFFAOYSA-N 2 2 288.439 3.387 20 0 CGADLP CC[C@H](C)C[C@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157882350 805895216 /nfs/dbraw/zinc/89/52/16/805895216.db2.gz RUZUXDDILAFRQF-GJZGRUSLSA-N 2 2 290.455 3.070 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC001252004210 805972124 /nfs/dbraw/zinc/97/21/24/805972124.db2.gz VQZLKINOVSTCFD-RBUKOAKNSA-N 2 2 298.430 3.003 20 0 CGADLP Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)[nH+]c1C ZINC001158624007 805979601 /nfs/dbraw/zinc/97/96/01/805979601.db2.gz KODFRXNJMZFFBM-CQSZACIVSA-N 2 2 295.377 3.008 20 0 CGADLP Cc1cccc2c(C)cc(N3CCC4(C[NH2+]C4)CC3)[nH+]c12 ZINC001159040196 806035938 /nfs/dbraw/zinc/03/59/38/806035938.db2.gz XRMXUNLQDCMJPA-UHFFFAOYSA-N 2 2 281.403 3.041 20 0 CGADLP Cc1cccc(C)c1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159321834 806083471 /nfs/dbraw/zinc/08/34/71/806083471.db2.gz SXUCESIACLXBGD-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC001252638111 806096962 /nfs/dbraw/zinc/09/69/62/806096962.db2.gz MCHPDBDTTNYDOP-MRXNPFEDSA-N 2 2 285.366 3.416 20 0 CGADLP Cc1ccc(Nc2ccc3c(c2)C[NH2+]CC3)c(C)[nH+]1 ZINC001159615534 806133740 /nfs/dbraw/zinc/13/37/40/806133740.db2.gz GMYVKTUFTLZBLL-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)[nH+]c1 ZINC001159776451 806170874 /nfs/dbraw/zinc/17/08/74/806170874.db2.gz UWMJWKQLAKOIGQ-CQSZACIVSA-N 2 2 253.349 3.211 20 0 CGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1C ZINC001253209361 806182204 /nfs/dbraw/zinc/18/22/04/806182204.db2.gz ASTDYCKIMXSNDZ-HIFRSBDPSA-N 2 2 298.858 3.002 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159923594 806200522 /nfs/dbraw/zinc/20/05/22/806200522.db2.gz QLASMSOKUOXANP-INIZCTEOSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1ccc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)c(C)[nH+]1 ZINC001159977880 806208629 /nfs/dbraw/zinc/20/86/29/806208629.db2.gz GRTATDSRESLRSG-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1cccn2c([C@H](C)Nc3cc(N)c(C)c[nH+]3)c[nH+]c12 ZINC001160686467 806295873 /nfs/dbraw/zinc/29/58/73/806295873.db2.gz HWWVRDGTPLJFGL-LBPRGKRZSA-N 2 2 281.363 3.101 20 0 CGADLP Cn1ccc2c1cc[nH+]c2NCc1c[nH+]cn1CC1CCC1 ZINC001161531389 806387797 /nfs/dbraw/zinc/38/77/97/806387797.db2.gz NEBFHOFNOAIGKR-UHFFFAOYSA-N 2 2 295.390 3.182 20 0 CGADLP c1[nH+]c(CNc2ccc3c([nH+]2)CCCC3)c2ccccn12 ZINC001161684400 806416478 /nfs/dbraw/zinc/41/64/78/806416478.db2.gz SRVRHYORKWDBPF-UHFFFAOYSA-N 2 2 278.359 3.220 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830997 806492385 /nfs/dbraw/zinc/49/23/85/806492385.db2.gz IYCGLQAJAKUQHB-MAUKXSAKSA-N 2 2 272.436 3.082 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254842946 806496069 /nfs/dbraw/zinc/49/60/69/806496069.db2.gz HHRAHTFBMNYAHH-IBGZPJMESA-N 2 2 286.463 3.426 20 0 CGADLP C(C[NH2+][C@@H]1CC2CC[NH+](CC2)C1)CC1CCCC1 ZINC001254840735 806495762 /nfs/dbraw/zinc/49/57/62/806495762.db2.gz MXBKRFRLAZHZPJ-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccn3cc[nH+]c23)c1 ZINC001162910442 806684025 /nfs/dbraw/zinc/68/40/25/806684025.db2.gz TWZASPIVYXYTEB-GFCCVEGCSA-N 2 2 276.343 3.298 20 0 CGADLP Cc1ccsc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932178 798853380 /nfs/dbraw/zinc/85/33/80/798853380.db2.gz MVZKQWDOEUVKAW-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000037156561 798861746 /nfs/dbraw/zinc/86/17/46/798861746.db2.gz RXPNEVHKANHTJQ-HIFRSBDPSA-N 2 2 272.396 3.044 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000037979100 798880463 /nfs/dbraw/zinc/88/04/63/798880463.db2.gz BKVGTJNAJKBZTE-UHFFFAOYSA-N 2 2 296.842 3.314 20 0 CGADLP Cn1c[nH+]c2ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc21 ZINC001163211670 806723703 /nfs/dbraw/zinc/72/37/03/806723703.db2.gz LDBMKKWWHFGLLA-AEFFLSMTSA-N 2 2 292.386 3.088 20 0 CGADLP Cc1[nH+]cn([C@@H](C)CSc2ccc(F)cc2)c1CC[NH3+] ZINC001255733199 806726196 /nfs/dbraw/zinc/72/61/96/806726196.db2.gz RCNFDYCBHOZFFT-NSHDSACASA-N 2 2 293.411 3.185 20 0 CGADLP CC(C)c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001163262224 806732951 /nfs/dbraw/zinc/73/29/51/806732951.db2.gz ZJMIVDAYRMYGAK-RDBSUJKOSA-N 2 2 288.439 3.133 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001255752265 806735734 /nfs/dbraw/zinc/73/57/34/806735734.db2.gz YAGSUUNKCNTHNZ-HNNXBMFYSA-N 2 2 289.448 3.352 20 0 CGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000381277064 799376661 /nfs/dbraw/zinc/37/66/61/799376661.db2.gz FPHYQWUAHZHZRD-AWEZNQCLSA-N 2 2 277.437 3.458 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC001255773517 806744486 /nfs/dbraw/zinc/74/44/86/806744486.db2.gz ZANAKXUJMUCFEV-KRWDZBQOSA-N 2 2 274.452 3.248 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+]1CCCCC1 ZINC000382225716 799393420 /nfs/dbraw/zinc/39/34/20/799393420.db2.gz GEJBQZWJZTVQDB-PRLABOORSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1F ZINC000384434828 799416471 /nfs/dbraw/zinc/41/64/71/799416471.db2.gz DONGGWQZGCMFKO-AWEZNQCLSA-N 2 2 276.399 3.098 20 0 CGADLP Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1F ZINC000384434828 799416477 /nfs/dbraw/zinc/41/64/77/799416477.db2.gz DONGGWQZGCMFKO-AWEZNQCLSA-N 2 2 276.399 3.098 20 0 CGADLP CC(C)CCC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000394048598 799493553 /nfs/dbraw/zinc/49/35/53/799493553.db2.gz TWPZTTKGPDWCHC-AWEZNQCLSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956085 799532916 /nfs/dbraw/zinc/53/29/16/799532916.db2.gz IHCJOZOLFUNKSB-XUJVJEKNSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956085 799532921 /nfs/dbraw/zinc/53/29/21/799532921.db2.gz IHCJOZOLFUNKSB-XUJVJEKNSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+]C/C=C\Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000588560111 799711487 /nfs/dbraw/zinc/71/14/87/799711487.db2.gz LGXNEMNBRCYXQP-GCLPIYDQSA-N 2 2 261.756 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000689405680 799764594 /nfs/dbraw/zinc/76/45/94/799764594.db2.gz IUFGWSMUWCTVHR-HZSPNIEDSA-N 2 2 281.469 3.172 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703861718 799931535 /nfs/dbraw/zinc/93/15/35/799931535.db2.gz XDJQHWKZTZZBMU-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703861718 799931542 /nfs/dbraw/zinc/93/15/42/799931542.db2.gz XDJQHWKZTZZBMU-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP c1cn(CCC[NH2+][C@@H](C2CCC2)C2CCCC2)c[nH+]1 ZINC000711898255 800080044 /nfs/dbraw/zinc/08/00/44/800080044.db2.gz XGAFQVWQMUQNSV-MRXNPFEDSA-N 2 2 261.413 3.222 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC001255965412 806801810 /nfs/dbraw/zinc/80/18/10/806801810.db2.gz GEIHIPPOJBFQRK-CQSZACIVSA-N 2 2 264.413 3.364 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1ccco1)C1CC1 ZINC001255965412 806801818 /nfs/dbraw/zinc/80/18/18/806801818.db2.gz GEIHIPPOJBFQRK-CQSZACIVSA-N 2 2 264.413 3.364 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000712580817 800094833 /nfs/dbraw/zinc/09/48/33/800094833.db2.gz LAAIQGABSASRGZ-SECBINFHSA-N 2 2 294.748 3.446 20 0 CGADLP CC(C)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000714748891 800128790 /nfs/dbraw/zinc/12/87/90/800128790.db2.gz XAKZKIAAVJSPDO-UHFFFAOYSA-N 2 2 269.392 3.397 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000715726976 800146192 /nfs/dbraw/zinc/14/61/92/800146192.db2.gz WZVREESAJJYYFY-UHFFFAOYSA-N 2 2 281.831 3.088 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256070788 806810464 /nfs/dbraw/zinc/81/04/64/806810464.db2.gz GIWDHYXEHUDELW-UHFFFAOYSA-N 2 2 278.827 3.365 20 0 CGADLP CC1(C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCCCC1 ZINC000721553888 800293155 /nfs/dbraw/zinc/29/31/55/800293155.db2.gz XDHKYGOIFGEWRF-KRWDZBQOSA-N 2 2 272.436 3.342 20 0 CGADLP CC1(C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CCCCC1 ZINC000721553888 800293158 /nfs/dbraw/zinc/29/31/58/800293158.db2.gz XDHKYGOIFGEWRF-KRWDZBQOSA-N 2 2 272.436 3.342 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721629435 800298120 /nfs/dbraw/zinc/29/81/20/800298120.db2.gz KEYAZHTXPBCZQD-BZUAXINKSA-N 2 2 284.488 3.146 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391791 800321101 /nfs/dbraw/zinc/32/11/01/800321101.db2.gz HNFNGVDVNDIPQM-RYUDHWBXSA-N 2 2 281.469 3.119 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c(C)[nH+]1 ZINC000724792120 800366995 /nfs/dbraw/zinc/36/69/95/800366995.db2.gz NFCRQGBDANEQKP-LBPRGKRZSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@@H]([N@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809547902 800444461 /nfs/dbraw/zinc/44/44/61/800444461.db2.gz WZBOXWFELBBXSK-LLVKDONJSA-N 2 2 269.458 3.071 20 0 CGADLP C[C@@H]([N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809547902 800444463 /nfs/dbraw/zinc/44/44/63/800444463.db2.gz WZBOXWFELBBXSK-LLVKDONJSA-N 2 2 269.458 3.071 20 0 CGADLP C/C(=C\C=C\[NH3+])n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163897151 806847907 /nfs/dbraw/zinc/84/79/07/806847907.db2.gz CGXDQAUWQCTQSL-ZRSOPRJESA-N 2 2 261.756 3.087 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001256202352 806850614 /nfs/dbraw/zinc/85/06/14/806850614.db2.gz DWQPWIGSPBBTLA-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001256202352 806850618 /nfs/dbraw/zinc/85/06/18/806850618.db2.gz DWQPWIGSPBBTLA-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544627 806912848 /nfs/dbraw/zinc/91/28/48/806912848.db2.gz ZTSDCBVZKLJSMU-AHCXZYCDSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544627 806912856 /nfs/dbraw/zinc/91/28/56/806912856.db2.gz ZTSDCBVZKLJSMU-AHCXZYCDSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544627 806912859 /nfs/dbraw/zinc/91/28/59/806912859.db2.gz ZTSDCBVZKLJSMU-AHCXZYCDSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544627 806912868 /nfs/dbraw/zinc/91/28/68/806912868.db2.gz ZTSDCBVZKLJSMU-AHCXZYCDSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(-c2ccccc2)cc[nH+]1 ZINC001164462371 806950794 /nfs/dbraw/zinc/95/07/94/806950794.db2.gz OADOQQZBUMPIOD-CABCVRRESA-N 2 2 281.403 3.312 20 0 CGADLP Cc1cc(N2CCC3(CCCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC001165248253 806980640 /nfs/dbraw/zinc/98/06/40/806980640.db2.gz HLNXUVCJMNRLJM-UHFFFAOYSA-N 2 2 288.439 3.021 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001172845632 808458855 /nfs/dbraw/zinc/45/88/55/808458855.db2.gz YWZJGGBYTIJMPJ-IBGZPJMESA-N 2 2 295.430 3.386 20 0 CGADLP CC[C@@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001117750510 802487000 /nfs/dbraw/zinc/48/70/00/802487000.db2.gz HGDFJHSYNNKPSS-ZIAGYGMSSA-N 2 2 298.390 3.341 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1cccc3ccccc31)C2 ZINC001278022302 809111493 /nfs/dbraw/zinc/11/14/93/809111493.db2.gz PMWUMVZEICEOSU-QAPCUYQASA-N 2 2 280.415 3.018 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1cccc3ccccc31)C2 ZINC001278022302 809111498 /nfs/dbraw/zinc/11/14/98/809111498.db2.gz PMWUMVZEICEOSU-QAPCUYQASA-N 2 2 280.415 3.018 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCc1cccc3ccccc31)C2 ZINC001278022302 809111500 /nfs/dbraw/zinc/11/15/00/809111500.db2.gz PMWUMVZEICEOSU-QAPCUYQASA-N 2 2 280.415 3.018 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1cccc3ccccc31)C2 ZINC001278022302 809111504 /nfs/dbraw/zinc/11/15/04/809111504.db2.gz PMWUMVZEICEOSU-QAPCUYQASA-N 2 2 280.415 3.018 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)n1 ZINC001206809949 813444138 /nfs/dbraw/zinc/44/41/38/813444138.db2.gz MPDCAOYGILBQEE-STQMWFEESA-N 2 2 295.858 3.418 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)n1 ZINC001206809949 813444142 /nfs/dbraw/zinc/44/41/42/813444142.db2.gz MPDCAOYGILBQEE-STQMWFEESA-N 2 2 295.858 3.418 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244617758 803466493 /nfs/dbraw/zinc/46/64/93/803466493.db2.gz YRZJAODVUDRFEN-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244617758 803466496 /nfs/dbraw/zinc/46/64/96/803466496.db2.gz YRZJAODVUDRFEN-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP CNc1cc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc[nH+]1 ZINC001244975592 803600050 /nfs/dbraw/zinc/60/00/50/803600050.db2.gz HVSGJLSDDBRFJS-MRXNPFEDSA-N 2 2 267.376 3.257 20 0 CGADLP CN(C)c1cc(-c2ccc(OCCC[NH+](C)C)cc2)cc[nH+]1 ZINC001245338079 803702795 /nfs/dbraw/zinc/70/27/95/803702795.db2.gz GZAOEWRPIIQHIX-UHFFFAOYSA-N 2 2 299.418 3.145 20 0 CGADLP CC[N@H+](Cc1c(C)cccc1C)C1CC[NH+](C)CC1 ZINC001137850458 803781926 /nfs/dbraw/zinc/78/19/26/803781926.db2.gz INZWUVLECGVWHO-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1c(C)cccc1C)C1CC[NH+](C)CC1 ZINC001137850458 803781932 /nfs/dbraw/zinc/78/19/32/803781932.db2.gz INZWUVLECGVWHO-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP Cc1cc2c[nH+]c(-c3ccc(C4CC[NH2+]CC4)cc3)nc2[nH]1 ZINC001245523998 803789369 /nfs/dbraw/zinc/78/93/69/803789369.db2.gz VJHOTKFUWNGAQP-UHFFFAOYSA-N 2 2 292.386 3.352 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001138740291 804028617 /nfs/dbraw/zinc/02/86/17/804028617.db2.gz SNXVXNMWNPHWFZ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCC(CC)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139058943 804119590 /nfs/dbraw/zinc/11/95/90/804119590.db2.gz GTCMNRPEMMCRIL-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CCC(CC)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139058943 804119594 /nfs/dbraw/zinc/11/95/94/804119594.db2.gz GTCMNRPEMMCRIL-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246087612 804120430 /nfs/dbraw/zinc/12/04/30/804120430.db2.gz GNTXOPPZCNPMIQ-HZPDHXFCSA-N 2 2 270.461 3.094 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246114573 804146796 /nfs/dbraw/zinc/14/67/96/804146796.db2.gz QADMHOIOYLIWER-SJLPKXTDSA-N 2 2 292.442 3.388 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(C)c12)C1CC[NH+](C)CC1 ZINC001139197528 804159147 /nfs/dbraw/zinc/15/91/47/804159147.db2.gz QXBHDUYQVJIKCK-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(C)c12)C1CC[NH+](C)CC1 ZINC001139197528 804159153 /nfs/dbraw/zinc/15/91/53/804159153.db2.gz QXBHDUYQVJIKCK-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246142328 804165486 /nfs/dbraw/zinc/16/54/86/804165486.db2.gz NGEZFBXTDZOLOU-XBVQOTNRSA-N 2 2 258.409 3.258 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC001246162722 804179192 /nfs/dbraw/zinc/17/91/92/804179192.db2.gz RDCILNYDXHHUGH-MSOLQXFVSA-N 3 2 295.515 3.009 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc2ccccc2c1 ZINC001246170720 804186726 /nfs/dbraw/zinc/18/67/26/804186726.db2.gz JFLJINMIZINOML-XNJGSVPQSA-N 2 2 254.377 3.241 20 0 CGADLP CCCCc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246179254 804192323 /nfs/dbraw/zinc/19/23/23/804192323.db2.gz OZGAOMWCGNSRTR-KRWDZBQOSA-N 2 2 260.425 3.261 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@]2(F)CCC[NH2+]C2)cc1 ZINC001246178206 804192578 /nfs/dbraw/zinc/19/25/78/804192578.db2.gz NOAJACOFDJEJKL-GDBMZVCRSA-N 2 2 296.455 3.157 20 0 CGADLP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccncc2)cc1 ZINC001246179569 804193716 /nfs/dbraw/zinc/19/37/16/804193716.db2.gz QIAUNIFHBWJSRF-SWDXFRIISA-N 2 2 293.414 3.044 20 0 CGADLP C[N@H+](CCC[NH3+])CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246284888 804258533 /nfs/dbraw/zinc/25/85/33/804258533.db2.gz QBLRSNGYHZEFND-UHFFFAOYSA-N 3 2 295.515 3.140 20 0 CGADLP C[N@@H+](CCC[NH3+])CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246284888 804258540 /nfs/dbraw/zinc/25/85/40/804258540.db2.gz QBLRSNGYHZEFND-UHFFFAOYSA-N 3 2 295.515 3.140 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1Cl ZINC001246293658 804263195 /nfs/dbraw/zinc/26/31/95/804263195.db2.gz OZQVMLNNYCQKEG-OBJOEFQTSA-N 2 2 266.816 3.440 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC001246295905 804264987 /nfs/dbraw/zinc/26/49/87/804264987.db2.gz YXNXZVKLFUZWHM-QAPCUYQASA-N 2 2 268.404 3.216 20 0 CGADLP C([NH2+][C@H]1CCCC2(CCCCC2)C1)[C@@H]1CSCC[NH2+]1 ZINC001246336979 804290937 /nfs/dbraw/zinc/29/09/37/804290937.db2.gz PNEHRPKKDMOBBS-LSDHHAIUSA-N 2 2 282.497 3.174 20 0 CGADLP CCCCC[C@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246336456 804291208 /nfs/dbraw/zinc/29/12/08/804291208.db2.gz NFWRBFGDODSDAT-KBPBESRZSA-N 2 2 258.475 3.030 20 0 CGADLP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)[C@@H]1CSCC[NH2+]1 ZINC001246336976 804291773 /nfs/dbraw/zinc/29/17/73/804291773.db2.gz PNEHRPKKDMOBBS-HUUCEWRRSA-N 2 2 282.497 3.174 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C[NH2+]1 ZINC001246363297 804305192 /nfs/dbraw/zinc/30/51/92/804305192.db2.gz CPLBJHFCFMPSBW-IUODEOHRSA-N 2 2 278.827 3.449 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246470514 804347268 /nfs/dbraw/zinc/34/72/68/804347268.db2.gz ZXSUAIXRBNLXSF-BJJXKVORSA-N 2 2 264.388 3.315 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140025912 804355249 /nfs/dbraw/zinc/35/52/49/804355249.db2.gz GDHKJFUVJCISQO-JYJNAYRXSA-N 2 2 285.366 3.113 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140025912 804355260 /nfs/dbraw/zinc/35/52/60/804355260.db2.gz GDHKJFUVJCISQO-JYJNAYRXSA-N 2 2 285.366 3.113 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001140027508 804355434 /nfs/dbraw/zinc/35/54/34/804355434.db2.gz ODPRKSORJHTOML-WMLDXEAASA-N 2 2 267.376 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001140027508 804355443 /nfs/dbraw/zinc/35/54/43/804355443.db2.gz ODPRKSORJHTOML-WMLDXEAASA-N 2 2 267.376 3.165 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H](C)C1 ZINC001140029538 804355959 /nfs/dbraw/zinc/35/59/59/804355959.db2.gz OCSSYGRTORNMLU-PBHICJAKSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H](C)C1 ZINC001140029538 804355968 /nfs/dbraw/zinc/35/59/68/804355968.db2.gz OCSSYGRTORNMLU-PBHICJAKSA-N 2 2 299.418 3.180 20 0 CGADLP CCO[C@@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028110 804356790 /nfs/dbraw/zinc/35/67/90/804356790.db2.gz LJBJRJDMDDLPHS-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP CCO[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028110 804356796 /nfs/dbraw/zinc/35/67/96/804356796.db2.gz LJBJRJDMDDLPHS-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246508094 804366284 /nfs/dbraw/zinc/36/62/84/804366284.db2.gz CWSUBWVMLIRTCP-MJGOQNOKSA-N 2 2 298.430 3.306 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC(C)(C)CC2)c1 ZINC001246509429 804367273 /nfs/dbraw/zinc/36/72/73/804367273.db2.gz HTOLTMAYAFELAF-MRXNPFEDSA-N 2 2 276.424 3.253 20 0 CGADLP CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246511096 804367591 /nfs/dbraw/zinc/36/75/91/804367591.db2.gz OXRGEGLSTYTSDI-CJNGLKHVSA-N 2 2 264.413 3.253 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537110 804385062 /nfs/dbraw/zinc/38/50/62/804385062.db2.gz BGXDENDFHVBKES-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537110 804385067 /nfs/dbraw/zinc/38/50/67/804385067.db2.gz BGXDENDFHVBKES-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536475 804385458 /nfs/dbraw/zinc/38/54/58/804385458.db2.gz FXNOCUBDPRAMMY-IAGOWNOFSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536475 804385466 /nfs/dbraw/zinc/38/54/66/804385466.db2.gz FXNOCUBDPRAMMY-IAGOWNOFSA-N 2 2 292.854 3.475 20 0 CGADLP C[C@@H]1CC([N@@H+]2CCc3ccc(Cl)cc3C2)C[C@@H](C)[NH2+]1 ZINC001246542699 804389745 /nfs/dbraw/zinc/38/97/45/804389745.db2.gz XJNMISQMIGPKPC-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1CC([N@H+]2CCc3ccc(Cl)cc3C2)C[C@@H](C)[NH2+]1 ZINC001246542699 804389755 /nfs/dbraw/zinc/38/97/55/804389755.db2.gz XJNMISQMIGPKPC-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246569883 804416621 /nfs/dbraw/zinc/41/66/21/804416621.db2.gz GAXBEZBRHRCSIW-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246569883 804416626 /nfs/dbraw/zinc/41/66/26/804416626.db2.gz GAXBEZBRHRCSIW-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596030 804436396 /nfs/dbraw/zinc/43/63/96/804436396.db2.gz YOELQJCFLCWNBL-UGFHNGPFSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596030 804436402 /nfs/dbraw/zinc/43/64/02/804436402.db2.gz YOELQJCFLCWNBL-UGFHNGPFSA-N 2 2 284.806 3.032 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]13CCC[NH2+]C3)C2 ZINC001246605622 804441250 /nfs/dbraw/zinc/44/12/50/804441250.db2.gz PWAJDACLHFQZCC-SJORKVTESA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@]13CCC[NH2+]C3)C2 ZINC001246605622 804441253 /nfs/dbraw/zinc/44/12/53/804441253.db2.gz PWAJDACLHFQZCC-SJORKVTESA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617386 804452124 /nfs/dbraw/zinc/45/21/24/804452124.db2.gz CDHVXBMMONTFQU-NVXWUHKLSA-N 2 2 284.447 3.107 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)CC1 ZINC001246629289 804461362 /nfs/dbraw/zinc/46/13/62/804461362.db2.gz HZEAVPQQHWUHDC-GQGLESIBSA-N 2 2 294.483 3.044 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)CC1 ZINC001246629289 804461364 /nfs/dbraw/zinc/46/13/64/804461364.db2.gz HZEAVPQQHWUHDC-GQGLESIBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246648662 804474951 /nfs/dbraw/zinc/47/49/51/804474951.db2.gz RKDISCFDMFVWIU-ZSHCYNCHSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246648662 804474957 /nfs/dbraw/zinc/47/49/57/804474957.db2.gz RKDISCFDMFVWIU-ZSHCYNCHSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H]1C ZINC001246662481 804485329 /nfs/dbraw/zinc/48/53/29/804485329.db2.gz JTWJPOQNTATJIR-RHHMJZNLSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H]1C ZINC001246662481 804485333 /nfs/dbraw/zinc/48/53/33/804485333.db2.gz JTWJPOQNTATJIR-RHHMJZNLSA-N 2 2 284.447 3.382 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140785022 804513085 /nfs/dbraw/zinc/51/30/85/804513085.db2.gz JQJDAABYOYVPAE-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140785022 804513093 /nfs/dbraw/zinc/51/30/93/804513093.db2.gz JQJDAABYOYVPAE-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140801046 804520770 /nfs/dbraw/zinc/52/07/70/804520770.db2.gz AICPUQAQPWHDLW-QWHCGFSZSA-N 2 2 257.381 3.431 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140801046 804520773 /nfs/dbraw/zinc/52/07/73/804520773.db2.gz AICPUQAQPWHDLW-QWHCGFSZSA-N 2 2 257.381 3.431 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)s1 ZINC001246815834 804531991 /nfs/dbraw/zinc/53/19/91/804531991.db2.gz BHQQEDKRBNRDMA-NSHDSACASA-N 2 2 270.829 3.290 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)s1 ZINC001246815834 804531994 /nfs/dbraw/zinc/53/19/94/804531994.db2.gz BHQQEDKRBNRDMA-NSHDSACASA-N 2 2 270.829 3.290 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829006 804540921 /nfs/dbraw/zinc/54/09/21/804540921.db2.gz HBMNRBYREHTSHJ-ZLDLUXBVSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829006 804540927 /nfs/dbraw/zinc/54/09/27/804540927.db2.gz HBMNRBYREHTSHJ-ZLDLUXBVSA-N 2 2 298.352 3.245 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835593 804543785 /nfs/dbraw/zinc/54/37/85/804543785.db2.gz JQXQAMIBSXXVAH-HNNXBMFYSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835593 804543787 /nfs/dbraw/zinc/54/37/87/804543787.db2.gz JQXQAMIBSXXVAH-HNNXBMFYSA-N 2 2 278.827 3.229 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846047 804553877 /nfs/dbraw/zinc/55/38/77/804553877.db2.gz OVMOQXPCDMJFIW-GJZGRUSLSA-N 2 2 250.430 3.316 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846047 804553880 /nfs/dbraw/zinc/55/38/80/804553880.db2.gz OVMOQXPCDMJFIW-GJZGRUSLSA-N 2 2 250.430 3.316 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848577 804557553 /nfs/dbraw/zinc/55/75/53/804557553.db2.gz WOUCXAUEPNMVPH-JILJLDPQSA-N 2 2 292.467 3.309 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848577 804557557 /nfs/dbraw/zinc/55/75/57/804557557.db2.gz WOUCXAUEPNMVPH-JILJLDPQSA-N 2 2 292.467 3.309 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876096 804574584 /nfs/dbraw/zinc/57/45/84/804574584.db2.gz YJTVAXOUWZTNNE-RHSMWYFYSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876096 804574588 /nfs/dbraw/zinc/57/45/88/804574588.db2.gz YJTVAXOUWZTNNE-RHSMWYFYSA-N 2 2 292.854 3.475 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893227 804585027 /nfs/dbraw/zinc/58/50/27/804585027.db2.gz IUEFIFLINAXLLU-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893227 804585030 /nfs/dbraw/zinc/58/50/30/804585030.db2.gz IUEFIFLINAXLLU-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP Fc1ccc(S[C@H]2CC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246910304 804593097 /nfs/dbraw/zinc/59/30/97/804593097.db2.gz LUMYAWUTUFZRIR-HOCLYGCPSA-N 2 2 294.439 3.134 20 0 CGADLP Fc1ccc(S[C@H]2CC[N@H+]([C@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246910304 804593101 /nfs/dbraw/zinc/59/31/01/804593101.db2.gz LUMYAWUTUFZRIR-HOCLYGCPSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001246936570 804608315 /nfs/dbraw/zinc/60/83/15/804608315.db2.gz FHXZENHXHPWKDV-JMSVASOKSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001246936570 804608319 /nfs/dbraw/zinc/60/83/19/804608319.db2.gz FHXZENHXHPWKDV-JMSVASOKSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246937637 804608570 /nfs/dbraw/zinc/60/85/70/804608570.db2.gz JKFANDBLBIBAQH-PVXIVEMSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246937637 804608577 /nfs/dbraw/zinc/60/85/77/804608577.db2.gz JKFANDBLBIBAQH-PVXIVEMSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965381 804619071 /nfs/dbraw/zinc/61/90/71/804619071.db2.gz UNEQTVSZQSKSRC-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965381 804619076 /nfs/dbraw/zinc/61/90/76/804619076.db2.gz UNEQTVSZQSKSRC-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CCCC[NH2+]C2)c1C ZINC001246967065 804620773 /nfs/dbraw/zinc/62/07/73/804620773.db2.gz LUJZRAYAENUFBR-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCCC[NH2+]C2)c1C ZINC001246967065 804620779 /nfs/dbraw/zinc/62/07/79/804620779.db2.gz LUJZRAYAENUFBR-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP CC1CCC([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246967081 804620839 /nfs/dbraw/zinc/62/08/39/804620839.db2.gz SVRFEUQGTODFAV-VMWRSERWSA-N 2 2 287.451 3.214 20 0 CGADLP CC1CCC([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246967081 804620845 /nfs/dbraw/zinc/62/08/45/804620845.db2.gz SVRFEUQGTODFAV-VMWRSERWSA-N 2 2 287.451 3.214 20 0 CGADLP CCC(CC)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244722 804624235 /nfs/dbraw/zinc/62/42/35/804624235.db2.gz SPOWXPGWVJVBQG-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CCC(CC)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244722 804624239 /nfs/dbraw/zinc/62/42/39/804624239.db2.gz SPOWXPGWVJVBQG-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1c(F)cccc1Cl ZINC001246980398 804626952 /nfs/dbraw/zinc/62/69/52/804626952.db2.gz IELWRVUATZONBZ-QWRGUYRKSA-N 2 2 272.795 3.079 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1c(F)cccc1Cl ZINC001246980398 804626955 /nfs/dbraw/zinc/62/69/55/804626955.db2.gz IELWRVUATZONBZ-QWRGUYRKSA-N 2 2 272.795 3.079 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)ccc2n1 ZINC001141485301 804646694 /nfs/dbraw/zinc/64/66/94/804646694.db2.gz XSEBHPJNMLSXTI-HKUYNNGSSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)ccc2n1 ZINC001141485301 804646698 /nfs/dbraw/zinc/64/66/98/804646698.db2.gz XSEBHPJNMLSXTI-HKUYNNGSSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2n1 ZINC001141485301 804646700 /nfs/dbraw/zinc/64/67/00/804646700.db2.gz XSEBHPJNMLSXTI-HKUYNNGSSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)ccc2n1 ZINC001141485301 804646703 /nfs/dbraw/zinc/64/67/03/804646703.db2.gz XSEBHPJNMLSXTI-HKUYNNGSSA-N 2 2 295.430 3.069 20 0 CGADLP Cn1c(CCC[NH3+])[nH+]c2ccc(OCc3ccccc3)cc21 ZINC001247043162 804650665 /nfs/dbraw/zinc/65/06/65/804650665.db2.gz PLGOKOCNWIPYLU-UHFFFAOYSA-N 2 2 295.386 3.044 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC001142383592 804720947 /nfs/dbraw/zinc/72/09/47/804720947.db2.gz KWOPIAVQRJIAOY-UHFFFAOYSA-N 2 2 280.415 3.428 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC001142383592 804720949 /nfs/dbraw/zinc/72/09/49/804720949.db2.gz KWOPIAVQRJIAOY-UHFFFAOYSA-N 2 2 280.415 3.428 20 0 CGADLP CC(C)(C)c1ccc(N2CCCCC23CC[NH2+]CC3)[nH+]c1 ZINC001165340219 806998019 /nfs/dbraw/zinc/99/80/19/806998019.db2.gz NNYSJYYXZIHUHO-UHFFFAOYSA-N 2 2 287.451 3.492 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257308761 807098823 /nfs/dbraw/zinc/09/88/23/807098823.db2.gz GXOPYMPCHKBHNF-MFKMUULPSA-N 2 2 285.229 3.227 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001257465482 807170234 /nfs/dbraw/zinc/17/02/34/807170234.db2.gz FQVDIXRJSUKNBN-OAHLLOKOSA-N 2 2 260.381 3.176 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001257465482 807170237 /nfs/dbraw/zinc/17/02/37/807170237.db2.gz FQVDIXRJSUKNBN-OAHLLOKOSA-N 2 2 260.381 3.176 20 0 CGADLP Cc1c[nH+]c(NCc2cc[nH+]c(N)c2)c2ccccc12 ZINC001167614509 807215278 /nfs/dbraw/zinc/21/52/78/807215278.db2.gz SRMRMXRLRLNECM-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001258016487 807267419 /nfs/dbraw/zinc/26/74/19/807267419.db2.gz IVZCFRYOFAZVBX-NVXWUHKLSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001258016487 807267425 /nfs/dbraw/zinc/26/74/25/807267425.db2.gz IVZCFRYOFAZVBX-NVXWUHKLSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167985134 807290050 /nfs/dbraw/zinc/29/00/50/807290050.db2.gz VYWKCUFJWXWGDV-PFUJJPPESA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167985134 807290052 /nfs/dbraw/zinc/29/00/52/807290052.db2.gz VYWKCUFJWXWGDV-PFUJJPPESA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1F ZINC001167985134 807290059 /nfs/dbraw/zinc/29/00/59/807290059.db2.gz VYWKCUFJWXWGDV-PFUJJPPESA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167985134 807290060 /nfs/dbraw/zinc/29/00/60/807290060.db2.gz VYWKCUFJWXWGDV-PFUJJPPESA-N 2 2 298.421 3.164 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258075136 807292997 /nfs/dbraw/zinc/29/29/97/807292997.db2.gz RNXJERHGPWGNJP-MWDXBVQZSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258075136 807293001 /nfs/dbraw/zinc/29/30/01/807293001.db2.gz RNXJERHGPWGNJP-MWDXBVQZSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258075136 807293010 /nfs/dbraw/zinc/29/30/10/807293010.db2.gz RNXJERHGPWGNJP-MWDXBVQZSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258075136 807293019 /nfs/dbraw/zinc/29/30/19/807293019.db2.gz RNXJERHGPWGNJP-MWDXBVQZSA-N 2 2 266.473 3.473 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258177885 807343645 /nfs/dbraw/zinc/34/36/45/807343645.db2.gz GARXQQTXNWDDDP-HNNXBMFYSA-N 2 2 299.418 3.112 20 0 CGADLP Cc1cc(C)c(Nc2cccc(N3CC[NH+](C)CC3)c2)c[nH+]1 ZINC001212710538 815111431 /nfs/dbraw/zinc/11/14/31/815111431.db2.gz HOTLSSSKXVTMSZ-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@@H]1CCCC(C)(C)C1 ZINC001258288758 807398400 /nfs/dbraw/zinc/39/84/00/807398400.db2.gz IELOKDQQFIHUKV-QGZVFWFLSA-N 3 2 297.531 3.161 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001258317395 807407372 /nfs/dbraw/zinc/40/73/72/807407372.db2.gz YAHYIJAHBLAXJB-AWEZNQCLSA-N 2 2 280.481 3.368 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001258317395 807407376 /nfs/dbraw/zinc/40/73/76/807407376.db2.gz YAHYIJAHBLAXJB-AWEZNQCLSA-N 2 2 280.481 3.368 20 0 CGADLP C[C@H](CC1CC1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258452090 807457837 /nfs/dbraw/zinc/45/78/37/807457837.db2.gz XUIWCJIZARLDFB-CQSZACIVSA-N 2 2 273.424 3.076 20 0 CGADLP CCCC1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001258530380 807486495 /nfs/dbraw/zinc/48/64/95/807486495.db2.gz LAHLLJBKRGSWIT-UHFFFAOYSA-N 2 2 262.397 3.409 20 0 CGADLP CCC1CCC(C2CCC([NH2+][C@@H]3COC[C@H]3[NH3+])CC2)CC1 ZINC001258633407 807517946 /nfs/dbraw/zinc/51/79/46/807517946.db2.gz SWIACMRMAWHIDU-HMMHJWGRSA-N 2 2 294.483 3.077 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001258701382 807555741 /nfs/dbraw/zinc/55/57/41/807555741.db2.gz IBORCYAXWOOFDT-NVXWUHKLSA-N 2 2 262.441 3.328 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001169115272 807580959 /nfs/dbraw/zinc/58/09/59/807580959.db2.gz HYRXWHDPGRHTKE-QDMKHBRRSA-N 2 2 288.410 3.420 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001169115272 807580963 /nfs/dbraw/zinc/58/09/63/807580963.db2.gz HYRXWHDPGRHTKE-QDMKHBRRSA-N 2 2 288.410 3.420 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC001169111931 807581076 /nfs/dbraw/zinc/58/10/76/807581076.db2.gz RBSHNXYLSGMRQC-JGPRNRPPSA-N 2 2 270.829 3.116 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC001169111931 807581081 /nfs/dbraw/zinc/58/10/81/807581081.db2.gz RBSHNXYLSGMRQC-JGPRNRPPSA-N 2 2 270.829 3.116 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258747114 807589908 /nfs/dbraw/zinc/58/99/08/807589908.db2.gz OLTBNSBMQNNMDO-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258747114 807589914 /nfs/dbraw/zinc/58/99/14/807589914.db2.gz OLTBNSBMQNNMDO-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001258776039 807606926 /nfs/dbraw/zinc/60/69/26/807606926.db2.gz QECQEFWHZRNIFS-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP CCC[NH+]1CCC([N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001258776039 807606927 /nfs/dbraw/zinc/60/69/27/807606927.db2.gz QECQEFWHZRNIFS-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258815325 807633506 /nfs/dbraw/zinc/63/35/06/807633506.db2.gz USUJHRUWXCRBSQ-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258815325 807633510 /nfs/dbraw/zinc/63/35/10/807633510.db2.gz USUJHRUWXCRBSQ-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258832157 807647194 /nfs/dbraw/zinc/64/71/94/807647194.db2.gz HEPRBBZTMAQJCC-INIZCTEOSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258832157 807647197 /nfs/dbraw/zinc/64/71/97/807647197.db2.gz HEPRBBZTMAQJCC-INIZCTEOSA-N 2 2 296.499 3.290 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC001170729205 807890041 /nfs/dbraw/zinc/89/00/41/807890041.db2.gz BMOHJAAFXPKYND-LUYZLQTOSA-N 2 2 262.441 3.028 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC001170729205 807890045 /nfs/dbraw/zinc/89/00/45/807890045.db2.gz BMOHJAAFXPKYND-LUYZLQTOSA-N 2 2 262.441 3.028 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171433213 808055444 /nfs/dbraw/zinc/05/54/44/808055444.db2.gz KIJDTWXCIGJNKN-MRXNPFEDSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171433213 808055453 /nfs/dbraw/zinc/05/54/53/808055453.db2.gz KIJDTWXCIGJNKN-MRXNPFEDSA-N 2 2 290.426 3.099 20 0 CGADLP CCCCOC1C[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171636892 808109432 /nfs/dbraw/zinc/10/94/32/808109432.db2.gz JPDHSIQRLOYLTM-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP C[N@H+](Cc1cncs1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642525 808110675 /nfs/dbraw/zinc/11/06/75/808110675.db2.gz KRPYZUZEVRKTNQ-UHFFFAOYSA-N 2 2 281.469 3.226 20 0 CGADLP C[N@@H+](Cc1cncs1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642525 808110677 /nfs/dbraw/zinc/11/06/77/808110677.db2.gz KRPYZUZEVRKTNQ-UHFFFAOYSA-N 2 2 281.469 3.226 20 0 CGADLP CC1(C)C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976003 808164020 /nfs/dbraw/zinc/16/40/20/808164020.db2.gz HIHBJDXZLNHVOQ-SJORKVTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976003 808164022 /nfs/dbraw/zinc/16/40/22/808164022.db2.gz HIHBJDXZLNHVOQ-SJORKVTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976003 808164025 /nfs/dbraw/zinc/16/40/25/808164025.db2.gz HIHBJDXZLNHVOQ-SJORKVTESA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976003 808164028 /nfs/dbraw/zinc/16/40/28/808164028.db2.gz HIHBJDXZLNHVOQ-SJORKVTESA-N 2 2 290.426 3.473 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001172105937 808176685 /nfs/dbraw/zinc/17/66/85/808176685.db2.gz LILSXBRUDLIKME-WCXIOVBPSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001172105937 808176687 /nfs/dbraw/zinc/17/66/87/808176687.db2.gz LILSXBRUDLIKME-WCXIOVBPSA-N 2 2 276.399 3.302 20 0 CGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001172254760 808209311 /nfs/dbraw/zinc/20/93/11/808209311.db2.gz WEKMPIVHOBMJTP-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001172254760 808209315 /nfs/dbraw/zinc/20/93/15/808209315.db2.gz WEKMPIVHOBMJTP-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)OCC[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172356475 808252446 /nfs/dbraw/zinc/25/24/46/808252446.db2.gz YUIFMWDJGGSTJP-KKUMJFAQSA-N 2 2 279.428 3.116 20 0 CGADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@H]1C ZINC001172384780 808277140 /nfs/dbraw/zinc/27/71/40/808277140.db2.gz WRBJQWMISBHDHA-INMHGKMJSA-N 2 2 287.451 3.465 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213031958 815205789 /nfs/dbraw/zinc/20/57/89/815205789.db2.gz RVYAHDZYKLPUHN-UHFFFAOYSA-N 2 2 266.348 3.368 20 0 CGADLP CCCOC1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001173096805 808507474 /nfs/dbraw/zinc/50/74/74/808507474.db2.gz SDGFXRAAFYKBDA-UHFFFAOYSA-N 2 2 287.407 3.162 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001173235532 808544576 /nfs/dbraw/zinc/54/45/76/808544576.db2.gz MQXPVZVGSNFJBR-MAUKXSAKSA-N 2 2 274.452 3.252 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001173235532 808544582 /nfs/dbraw/zinc/54/45/82/808544582.db2.gz MQXPVZVGSNFJBR-MAUKXSAKSA-N 2 2 274.452 3.252 20 0 CGADLP CCSC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001173299248 808599208 /nfs/dbraw/zinc/59/92/08/808599208.db2.gz SZBJNUVHPGYSCY-LBPRGKRZSA-N 2 2 275.421 3.323 20 0 CGADLP CCSC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173310007 808606099 /nfs/dbraw/zinc/60/60/99/808606099.db2.gz VQSDSWAIOSEAGB-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP CCSC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001173310007 808606105 /nfs/dbraw/zinc/60/61/05/808606105.db2.gz VQSDSWAIOSEAGB-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP COc1ccsc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275451548 808937836 /nfs/dbraw/zinc/93/78/36/808937836.db2.gz OQZQRZXJYHYXJF-INIZCTEOSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275451548 808937843 /nfs/dbraw/zinc/93/78/43/808937843.db2.gz OQZQRZXJYHYXJF-INIZCTEOSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275451548 808937848 /nfs/dbraw/zinc/93/78/48/808937848.db2.gz OQZQRZXJYHYXJF-INIZCTEOSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275451548 808937855 /nfs/dbraw/zinc/93/78/55/808937855.db2.gz OQZQRZXJYHYXJF-INIZCTEOSA-N 2 2 294.464 3.065 20 0 CGADLP Cc1c(C)c(C)c(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c(C)c1C ZINC001276042113 808985794 /nfs/dbraw/zinc/98/57/94/808985794.db2.gz WFIAZIZRMVLLHW-UHFFFAOYSA-N 2 2 286.463 3.366 20 0 CGADLP Cc1c(C)c(C)c(C[NH+]2CC3(C2)CC[N@H+](C)C3)c(C)c1C ZINC001276042113 808985798 /nfs/dbraw/zinc/98/57/98/808985798.db2.gz WFIAZIZRMVLLHW-UHFFFAOYSA-N 2 2 286.463 3.366 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807983 809098222 /nfs/dbraw/zinc/09/82/22/809098222.db2.gz SHUNNPFUOIZGPF-WBVHZDCISA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807983 809098227 /nfs/dbraw/zinc/09/82/27/809098227.db2.gz SHUNNPFUOIZGPF-WBVHZDCISA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807983 809098234 /nfs/dbraw/zinc/09/82/34/809098234.db2.gz SHUNNPFUOIZGPF-WBVHZDCISA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807983 809098241 /nfs/dbraw/zinc/09/82/41/809098241.db2.gz SHUNNPFUOIZGPF-WBVHZDCISA-N 2 2 275.440 3.101 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001175969522 809586281 /nfs/dbraw/zinc/58/62/81/809586281.db2.gz UBGGLYIIFNFMFP-UHFFFAOYSA-N 2 2 264.332 3.075 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001177093361 809780184 /nfs/dbraw/zinc/78/01/84/809780184.db2.gz PFRNLDCXGRDMKZ-UHFFFAOYSA-N 2 2 297.874 3.228 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001177200238 809787533 /nfs/dbraw/zinc/78/75/33/809787533.db2.gz USQQYCDJSVAIFV-SOUVJXGZSA-N 2 2 272.502 3.227 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC001179177979 809908593 /nfs/dbraw/zinc/90/85/93/809908593.db2.gz MXPMWXNUGQASIS-GDBMZVCRSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC001179177979 809908595 /nfs/dbraw/zinc/90/85/95/809908595.db2.gz MXPMWXNUGQASIS-GDBMZVCRSA-N 2 2 252.446 3.277 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001179266913 809911491 /nfs/dbraw/zinc/91/14/91/809911491.db2.gz ZGJUBRZXXIHEMY-GFCCVEGCSA-N 2 2 284.831 3.169 20 0 CGADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC001180566283 810010936 /nfs/dbraw/zinc/01/09/36/810010936.db2.gz OLKMIFYSSUOXEQ-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC001180566283 810010939 /nfs/dbraw/zinc/01/09/39/810010939.db2.gz OLKMIFYSSUOXEQ-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001183066199 810136290 /nfs/dbraw/zinc/13/62/90/810136290.db2.gz VLUDFWLYRDNIRV-XJKSGUPXSA-N 2 2 294.414 3.084 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001183066199 810136291 /nfs/dbraw/zinc/13/62/91/810136291.db2.gz VLUDFWLYRDNIRV-XJKSGUPXSA-N 2 2 294.414 3.084 20 0 CGADLP CCc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184839470 810221341 /nfs/dbraw/zinc/22/13/41/810221341.db2.gz JQHJNTPBCKUXEF-ZIAGYGMSSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184839470 810221343 /nfs/dbraw/zinc/22/13/43/810221343.db2.gz JQHJNTPBCKUXEF-ZIAGYGMSSA-N 2 2 290.455 3.134 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194280291 811046653 /nfs/dbraw/zinc/04/66/53/811046653.db2.gz TUDBUCXYFLFXAU-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194280291 811046662 /nfs/dbraw/zinc/04/66/62/811046662.db2.gz TUDBUCXYFLFXAU-QZTJIDSGSA-N 2 2 296.499 3.390 20 0 CGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC001197263959 811408637 /nfs/dbraw/zinc/40/86/37/811408637.db2.gz HTOJSPOEFHGWNX-SFHVURJKSA-N 2 2 292.386 3.118 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC001199402926 811575346 /nfs/dbraw/zinc/57/53/46/811575346.db2.gz AOZRWQMGFSOUKB-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CN(C)c1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001200077200 811637801 /nfs/dbraw/zinc/63/78/01/811637801.db2.gz PJSKQJXKHXBIHB-UHFFFAOYSA-N 2 2 298.434 3.130 20 0 CGADLP COc1ccsc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC001200076023 811637811 /nfs/dbraw/zinc/63/78/11/811637811.db2.gz CZFWOLKIHCKUAL-UHFFFAOYSA-N 2 2 291.420 3.134 20 0 CGADLP CSCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200639164 811723360 /nfs/dbraw/zinc/72/33/60/811723360.db2.gz DBDWJICSJXVXEF-UHFFFAOYSA-N 2 2 281.450 3.167 20 0 CGADLP CCC1(CC)CCC([NH2+]CC[N@H+](C)CCCOC)CC1 ZINC001200838560 811752435 /nfs/dbraw/zinc/75/24/35/811752435.db2.gz UPHKADLPRMCJLG-UHFFFAOYSA-N 2 2 284.488 3.293 20 0 CGADLP CCC1(CC)CCC([NH2+]CC[N@@H+](C)CCCOC)CC1 ZINC001200838560 811752443 /nfs/dbraw/zinc/75/24/43/811752443.db2.gz UPHKADLPRMCJLG-UHFFFAOYSA-N 2 2 284.488 3.293 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201567967 811908296 /nfs/dbraw/zinc/90/82/96/811908296.db2.gz MIODVJVSAPBARJ-HRCADAONSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201567967 811908301 /nfs/dbraw/zinc/90/83/01/811908301.db2.gz MIODVJVSAPBARJ-HRCADAONSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201567967 811908304 /nfs/dbraw/zinc/90/83/04/811908304.db2.gz MIODVJVSAPBARJ-HRCADAONSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201567967 811908309 /nfs/dbraw/zinc/90/83/09/811908309.db2.gz MIODVJVSAPBARJ-HRCADAONSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1cn2cc(Nc3ccc(C)[nH+]c3C)ccc2[nH+]1 ZINC001203369842 812327569 /nfs/dbraw/zinc/32/75/69/812327569.db2.gz CVEMTGYGIPDUJW-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001203799906 812465250 /nfs/dbraw/zinc/46/52/50/812465250.db2.gz BRVMEIRKHMAGOS-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001203799906 812465254 /nfs/dbraw/zinc/46/52/54/812465254.db2.gz BRVMEIRKHMAGOS-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC(C)[N@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC001204016750 812521375 /nfs/dbraw/zinc/52/13/75/812521375.db2.gz ICTOWLSIIVRYSU-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP CC(C)[N@@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC001204016750 812521378 /nfs/dbraw/zinc/52/13/78/812521378.db2.gz ICTOWLSIIVRYSU-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001204044276 812531461 /nfs/dbraw/zinc/53/14/61/812531461.db2.gz HAUIUZCEZGZPNR-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001204044276 812531464 /nfs/dbraw/zinc/53/14/64/812531464.db2.gz HAUIUZCEZGZPNR-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204044859 812531530 /nfs/dbraw/zinc/53/15/30/812531530.db2.gz DDHIQARDGOCFFG-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204044859 812531531 /nfs/dbraw/zinc/53/15/31/812531531.db2.gz DDHIQARDGOCFFG-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204857051 812756519 /nfs/dbraw/zinc/75/65/19/812756519.db2.gz RVLUHTXGUOBSFU-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)(F)F)c(F)c1 ZINC001204857051 812756520 /nfs/dbraw/zinc/75/65/20/812756520.db2.gz RVLUHTXGUOBSFU-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[C@H](C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1)c1cccc2ccccc21 ZINC001204904215 812770824 /nfs/dbraw/zinc/77/08/24/812770824.db2.gz KJQXQXSJRGCSDN-RDTXWAMCSA-N 2 2 280.415 3.366 20 0 CGADLP C[C@H](C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1)c1cccc2ccccc21 ZINC001204904215 812770827 /nfs/dbraw/zinc/77/08/27/812770827.db2.gz KJQXQXSJRGCSDN-RDTXWAMCSA-N 2 2 280.415 3.366 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204940451 812788683 /nfs/dbraw/zinc/78/86/83/812788683.db2.gz XMRVQWIDFCNEHI-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204940451 812788690 /nfs/dbraw/zinc/78/86/90/812788690.db2.gz XMRVQWIDFCNEHI-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3sccc32)C1 ZINC001204946662 812792922 /nfs/dbraw/zinc/79/29/22/812792922.db2.gz QTMXITMVMFYCER-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001204946662 812792927 /nfs/dbraw/zinc/79/29/27/812792927.db2.gz QTMXITMVMFYCER-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001204947229 812793054 /nfs/dbraw/zinc/79/30/54/812793054.db2.gz WVUMBAHRXFHPDP-QGZVFWFLSA-N 2 2 287.382 3.134 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001204947229 812793058 /nfs/dbraw/zinc/79/30/58/812793058.db2.gz WVUMBAHRXFHPDP-QGZVFWFLSA-N 2 2 287.382 3.134 20 0 CGADLP c1cn2ccc(Nc3cc[nH+]c(N4CCCC4)c3)cc2[nH+]1 ZINC001204966148 812800602 /nfs/dbraw/zinc/80/06/02/812800602.db2.gz OFJTVGHNZCJDFL-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205064285 812842410 /nfs/dbraw/zinc/84/24/10/812842410.db2.gz MEHXSEVDWHUQBH-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC001205064285 812842416 /nfs/dbraw/zinc/84/24/16/812842416.db2.gz MEHXSEVDWHUQBH-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205075335 812851165 /nfs/dbraw/zinc/85/11/65/812851165.db2.gz IMJSKHCHNBQRJG-BBRMVZONSA-N 2 2 288.435 3.102 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001205075335 812851170 /nfs/dbraw/zinc/85/11/70/812851170.db2.gz IMJSKHCHNBQRJG-BBRMVZONSA-N 2 2 288.435 3.102 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205102441 812866914 /nfs/dbraw/zinc/86/69/14/812866914.db2.gz SFVLMCBOJUZVLV-LLVKDONJSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205102441 812866916 /nfs/dbraw/zinc/86/69/16/812866916.db2.gz SFVLMCBOJUZVLV-LLVKDONJSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205101760 812867044 /nfs/dbraw/zinc/86/70/44/812867044.db2.gz KSRNQCGAYAKZNH-ZDUSSCGKSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205101760 812867053 /nfs/dbraw/zinc/86/70/53/812867053.db2.gz KSRNQCGAYAKZNH-ZDUSSCGKSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1Cl ZINC001205145742 812886303 /nfs/dbraw/zinc/88/63/03/812886303.db2.gz DQVGFXFLPNGZFI-CMPLNLGQSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1Cl ZINC001205145742 812886310 /nfs/dbraw/zinc/88/63/10/812886310.db2.gz DQVGFXFLPNGZFI-CMPLNLGQSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205303160 812940351 /nfs/dbraw/zinc/94/03/51/812940351.db2.gz ABZMMVMRCDLWDG-CMPLNLGQSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205303160 812940356 /nfs/dbraw/zinc/94/03/56/812940356.db2.gz ABZMMVMRCDLWDG-CMPLNLGQSA-N 2 2 284.806 3.204 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303301 812940947 /nfs/dbraw/zinc/94/09/47/812940947.db2.gz CIZSVXQBYFSEMZ-JSGCOSHPSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303301 812940949 /nfs/dbraw/zinc/94/09/49/812940949.db2.gz CIZSVXQBYFSEMZ-JSGCOSHPSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303300 812940991 /nfs/dbraw/zinc/94/09/91/812940991.db2.gz CIZSVXQBYFSEMZ-GXTWGEPZSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303300 812940996 /nfs/dbraw/zinc/94/09/96/812940996.db2.gz CIZSVXQBYFSEMZ-GXTWGEPZSA-N 2 2 296.842 3.155 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205324441 812954292 /nfs/dbraw/zinc/95/42/92/812954292.db2.gz BLTNEYQFABSMFH-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205324441 812954298 /nfs/dbraw/zinc/95/42/98/812954298.db2.gz BLTNEYQFABSMFH-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001205695979 813054400 /nfs/dbraw/zinc/05/44/00/813054400.db2.gz CZJDCRRDHFLUPA-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001205695979 813054406 /nfs/dbraw/zinc/05/44/06/813054406.db2.gz CZJDCRRDHFLUPA-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205816564 813093681 /nfs/dbraw/zinc/09/36/81/813093681.db2.gz NRPKQLIWHTWJQH-YOEHRIQHSA-N 2 2 285.435 3.220 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205816564 813093690 /nfs/dbraw/zinc/09/36/90/813093690.db2.gz NRPKQLIWHTWJQH-YOEHRIQHSA-N 2 2 285.435 3.220 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001205902848 813123970 /nfs/dbraw/zinc/12/39/70/813123970.db2.gz MAFZWWJJJIDHJC-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001205902848 813123974 /nfs/dbraw/zinc/12/39/74/813123974.db2.gz MAFZWWJJJIDHJC-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC001205904254 813126393 /nfs/dbraw/zinc/12/63/93/813126393.db2.gz TYHGLKSJPPIIPJ-AAEUAGOBSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1 ZINC001205904254 813126396 /nfs/dbraw/zinc/12/63/96/813126396.db2.gz TYHGLKSJPPIIPJ-AAEUAGOBSA-N 2 2 297.240 3.008 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001205931891 813139351 /nfs/dbraw/zinc/13/93/51/813139351.db2.gz MAEDXHFGYVBIGA-HNNXBMFYSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001205931891 813139353 /nfs/dbraw/zinc/13/93/53/813139353.db2.gz MAEDXHFGYVBIGA-HNNXBMFYSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205939406 813141500 /nfs/dbraw/zinc/14/15/00/813141500.db2.gz QTLLCPRFZKESQC-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205939406 813141503 /nfs/dbraw/zinc/14/15/03/813141503.db2.gz QTLLCPRFZKESQC-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001206556498 813351509 /nfs/dbraw/zinc/35/15/09/813351509.db2.gz TVQARIODOLCYMV-GOSISDBHSA-N 2 2 298.434 3.028 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001206556498 813351514 /nfs/dbraw/zinc/35/15/14/813351514.db2.gz TVQARIODOLCYMV-GOSISDBHSA-N 2 2 298.434 3.028 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633818 813624121 /nfs/dbraw/zinc/62/41/21/813624121.db2.gz APVOLKWMHLWIBR-YVSFHVDLSA-N 2 2 284.403 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633818 813624128 /nfs/dbraw/zinc/62/41/28/813624128.db2.gz APVOLKWMHLWIBR-YVSFHVDLSA-N 2 2 284.403 3.055 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171743 813725585 /nfs/dbraw/zinc/72/55/85/813725585.db2.gz XBJQFGKNGFKCEG-VSZNYVQBSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171743 813725594 /nfs/dbraw/zinc/72/55/94/813725594.db2.gz XBJQFGKNGFKCEG-VSZNYVQBSA-N 2 2 294.458 3.487 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614398 813772785 /nfs/dbraw/zinc/77/27/85/813772785.db2.gz DDSOXRNUFFNRRU-XJKSGUPXSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614398 813772790 /nfs/dbraw/zinc/77/27/90/813772790.db2.gz DDSOXRNUFFNRRU-XJKSGUPXSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614398 813772793 /nfs/dbraw/zinc/77/27/93/813772793.db2.gz DDSOXRNUFFNRRU-XJKSGUPXSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614398 813772799 /nfs/dbraw/zinc/77/27/99/813772799.db2.gz DDSOXRNUFFNRRU-XJKSGUPXSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCCCc1ccccc1)C2 ZINC001209226871 813974745 /nfs/dbraw/zinc/97/47/45/813974745.db2.gz BGGRBRUVJDNELE-UHFFFAOYSA-N 2 2 283.419 3.420 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCCCc1ccccc1)C2 ZINC001209226871 813974750 /nfs/dbraw/zinc/97/47/50/813974750.db2.gz BGGRBRUVJDNELE-UHFFFAOYSA-N 2 2 283.419 3.420 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001209453007 814048545 /nfs/dbraw/zinc/04/85/45/814048545.db2.gz CAALKGNXKBLWMD-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001209453007 814048549 /nfs/dbraw/zinc/04/85/49/814048549.db2.gz CAALKGNXKBLWMD-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001209577013 814088823 /nfs/dbraw/zinc/08/88/23/814088823.db2.gz KURSEZQPCIIOJC-UHFFFAOYSA-N 2 2 275.440 3.162 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001209577013 814088828 /nfs/dbraw/zinc/08/88/28/814088828.db2.gz KURSEZQPCIIOJC-UHFFFAOYSA-N 2 2 275.440 3.162 20 0 CGADLP COc1cc(Nc2cc(C)[nH+]c3ccccc23)cc(C)[nH+]1 ZINC001210777018 814623018 /nfs/dbraw/zinc/62/30/18/814623018.db2.gz UMVRRPABJUTSBU-UHFFFAOYSA-N 2 2 279.343 3.421 20 0 CGADLP C[NH2+]Cc1cccc(Nc2c[nH+]c(C)cc2C)c1F ZINC001216220384 815741377 /nfs/dbraw/zinc/74/13/77/815741377.db2.gz NRGXPFJTTFUUPD-UHFFFAOYSA-N 2 2 259.328 3.301 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222153812 816362081 /nfs/dbraw/zinc/36/20/81/816362081.db2.gz APMNKXFMZXYPBC-MRXNPFEDSA-N 2 2 296.817 3.363 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222153812 816362088 /nfs/dbraw/zinc/36/20/88/816362088.db2.gz APMNKXFMZXYPBC-MRXNPFEDSA-N 2 2 296.817 3.363 20 0 CGADLP c1ccc(C2(C[N@@H+]3CC[C@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222192468 816371817 /nfs/dbraw/zinc/37/18/17/816371817.db2.gz VZRPNLRXYBHKSO-IBGZPJMESA-N 2 2 284.447 3.326 20 0 CGADLP c1ccc(C2(C[N@H+]3CC[C@]34CCC[NH2+]C4)CCCC2)cc1 ZINC001222192468 816371822 /nfs/dbraw/zinc/37/18/22/816371822.db2.gz VZRPNLRXYBHKSO-IBGZPJMESA-N 2 2 284.447 3.326 20 0 CGADLP Fc1cccc2[nH]cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c21 ZINC001222237374 816382372 /nfs/dbraw/zinc/38/23/72/816382372.db2.gz HGHMBSOSHIKLHM-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c21 ZINC001222237374 816382379 /nfs/dbraw/zinc/38/23/79/816382379.db2.gz HGHMBSOSHIKLHM-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243842 816385329 /nfs/dbraw/zinc/38/53/29/816385329.db2.gz PISVEWURCVGTFS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243842 816385337 /nfs/dbraw/zinc/38/53/37/816385337.db2.gz PISVEWURCVGTFS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222249622 816386621 /nfs/dbraw/zinc/38/66/21/816386621.db2.gz VGKRPQRDTNXSGC-MRXNPFEDSA-N 2 2 276.449 3.127 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222249622 816386629 /nfs/dbraw/zinc/38/66/29/816386629.db2.gz VGKRPQRDTNXSGC-MRXNPFEDSA-N 2 2 276.449 3.127 20 0 CGADLP CCOc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)ccc1C ZINC001222259479 816389310 /nfs/dbraw/zinc/38/93/10/816389310.db2.gz QSGZUYITFVJSJF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)ccc1C ZINC001222259479 816389319 /nfs/dbraw/zinc/38/93/19/816389319.db2.gz QSGZUYITFVJSJF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Fc1cc(F)cc(CC[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222287337 816396756 /nfs/dbraw/zinc/39/67/56/816396756.db2.gz HHGMGEZECNJCRA-UHFFFAOYSA-N 2 2 294.389 3.115 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345241 816413592 /nfs/dbraw/zinc/41/35/92/816413592.db2.gz JUIFHVHSILEZDJ-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345241 816413597 /nfs/dbraw/zinc/41/35/97/816413597.db2.gz JUIFHVHSILEZDJ-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP COc1cc(C)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242980380 823197414 /nfs/dbraw/zinc/19/74/14/823197414.db2.gz CWTSHTORAXQGOS-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242980380 823197418 /nfs/dbraw/zinc/19/74/18/823197418.db2.gz CWTSHTORAXQGOS-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427559 816442401 /nfs/dbraw/zinc/44/24/01/816442401.db2.gz SHUFFYVHQNHHMW-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427559 816442405 /nfs/dbraw/zinc/44/24/05/816442405.db2.gz SHUFFYVHQNHHMW-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP CC[NH+]1CCC(c2ccc(-c3c[nH+]cn3C)cc2)CC1 ZINC001243072217 823235818 /nfs/dbraw/zinc/23/58/18/823235818.db2.gz MNHGHWLRHGMFMY-UHFFFAOYSA-N 2 2 269.392 3.286 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc4ccccc4[nH]3)cc2)C1 ZINC001243106328 823249206 /nfs/dbraw/zinc/24/92/06/823249206.db2.gz JWHBMUBFFRNDDN-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc4ccccc4[nH]3)cc2)C1 ZINC001243106328 823249211 /nfs/dbraw/zinc/24/92/11/823249211.db2.gz JWHBMUBFFRNDDN-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP F[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCC1(F)F ZINC001232011636 818232161 /nfs/dbraw/zinc/23/21/61/818232161.db2.gz NKZSACPGZSFSKW-CYBMUJFWSA-N 2 2 283.297 3.132 20 0 CGADLP c1c(C[N@H+]2CCO[C@H](c3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013757 818232790 /nfs/dbraw/zinc/23/27/90/818232790.db2.gz FCZZWQKCVGBSEA-SFHVURJKSA-N 2 2 293.370 3.136 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccn1 ZINC001232494856 818370282 /nfs/dbraw/zinc/37/02/82/818370282.db2.gz GRSPWPZVNRWVEN-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccn1 ZINC001232494856 818370290 /nfs/dbraw/zinc/37/02/90/818370290.db2.gz GRSPWPZVNRWVEN-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccn1 ZINC001232494856 818370298 /nfs/dbraw/zinc/37/02/98/818370298.db2.gz GRSPWPZVNRWVEN-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccn1 ZINC001232494856 818370307 /nfs/dbraw/zinc/37/03/07/818370307.db2.gz GRSPWPZVNRWVEN-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985658 818492249 /nfs/dbraw/zinc/49/22/49/818492249.db2.gz JPVWLOFWNXLODL-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985658 818492256 /nfs/dbraw/zinc/49/22/56/818492256.db2.gz JPVWLOFWNXLODL-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985658 818492261 /nfs/dbraw/zinc/49/22/61/818492261.db2.gz JPVWLOFWNXLODL-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985658 818492264 /nfs/dbraw/zinc/49/22/64/818492264.db2.gz JPVWLOFWNXLODL-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP CC[NH+](CC)Cc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001243336789 823351158 /nfs/dbraw/zinc/35/11/58/823351158.db2.gz BRGJYILITFOQBL-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP COc1cc(C[NH+]2CCC(C)CC2)ccc1-n1cc[nH+]c1 ZINC001234032879 818761726 /nfs/dbraw/zinc/76/17/26/818761726.db2.gz MUYLAGXSTFXIOS-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001234992315 818970224 /nfs/dbraw/zinc/97/02/24/818970224.db2.gz IGDXFXCNOAMRFT-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001234992315 818970228 /nfs/dbraw/zinc/97/02/28/818970228.db2.gz IGDXFXCNOAMRFT-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006811 818975585 /nfs/dbraw/zinc/97/55/85/818975585.db2.gz LGYWIHCBKOVXCG-SUMWQHHRSA-N 2 2 297.446 3.259 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006811 818975592 /nfs/dbraw/zinc/97/55/92/818975592.db2.gz LGYWIHCBKOVXCG-SUMWQHHRSA-N 2 2 297.446 3.259 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030446 818982572 /nfs/dbraw/zinc/98/25/72/818982572.db2.gz AQUUMDBAGNERLQ-OAHLLOKOSA-N 2 2 296.867 3.247 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030446 818982577 /nfs/dbraw/zinc/98/25/77/818982577.db2.gz AQUUMDBAGNERLQ-OAHLLOKOSA-N 2 2 296.867 3.247 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047836 818991945 /nfs/dbraw/zinc/99/19/45/818991945.db2.gz WVPCWJHJCNTFIF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235047836 818991952 /nfs/dbraw/zinc/99/19/52/818991952.db2.gz WVPCWJHJCNTFIF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235073746 818995189 /nfs/dbraw/zinc/99/51/89/818995189.db2.gz VTIBLAHPQYGTCT-NIKGAXFTSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235073746 818995193 /nfs/dbraw/zinc/99/51/93/818995193.db2.gz VTIBLAHPQYGTCT-NIKGAXFTSA-N 2 2 280.415 3.380 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235119185 819010405 /nfs/dbraw/zinc/01/04/05/819010405.db2.gz YDGUAMOHHPGZOP-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235119185 819010407 /nfs/dbraw/zinc/01/04/07/819010407.db2.gz YDGUAMOHHPGZOP-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP COc1cc(C)cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167434 819021366 /nfs/dbraw/zinc/02/13/66/819021366.db2.gz JDADHBAKCTUNGG-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C)cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167434 819021371 /nfs/dbraw/zinc/02/13/71/819021371.db2.gz JDADHBAKCTUNGG-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186155 819028255 /nfs/dbraw/zinc/02/82/55/819028255.db2.gz FASQYHPIEQUBTK-NEPJUHHUSA-N 2 2 299.245 3.077 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186155 819028259 /nfs/dbraw/zinc/02/82/59/819028259.db2.gz FASQYHPIEQUBTK-NEPJUHHUSA-N 2 2 299.245 3.077 20 0 CGADLP c1csc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235254356 819052026 /nfs/dbraw/zinc/05/20/26/819052026.db2.gz BGGGYJRPWICPSS-GDBMZVCRSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235254356 819052032 /nfs/dbraw/zinc/05/20/32/819052032.db2.gz BGGGYJRPWICPSS-GDBMZVCRSA-N 2 2 284.428 3.209 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263302 819056653 /nfs/dbraw/zinc/05/66/53/819056653.db2.gz TZVLBGYVEIZMDB-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263302 819056659 /nfs/dbraw/zinc/05/66/59/819056659.db2.gz TZVLBGYVEIZMDB-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235265257 819057785 /nfs/dbraw/zinc/05/77/85/819057785.db2.gz CKAQYRNQIFXPTM-UKRRQHHQSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235265257 819057791 /nfs/dbraw/zinc/05/77/91/819057791.db2.gz CKAQYRNQIFXPTM-UKRRQHHQSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001235348314 819075431 /nfs/dbraw/zinc/07/54/31/819075431.db2.gz XEKOZDLSDWSZSY-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+](C)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001235348314 819075438 /nfs/dbraw/zinc/07/54/38/819075438.db2.gz XEKOZDLSDWSZSY-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP [NH3+]CC[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001235593454 819125552 /nfs/dbraw/zinc/12/55/52/819125552.db2.gz LPKAPVYROJVGLZ-UHFFFAOYSA-N 2 2 296.414 3.185 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001235725378 819153287 /nfs/dbraw/zinc/15/32/87/819153287.db2.gz GMBNFPWKPDICKD-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2c1 ZINC001235901758 819212425 /nfs/dbraw/zinc/21/24/25/819212425.db2.gz DWNQGGUANCCBPK-WCQYABFASA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@H]([NH3+])CC[C@@H]3C)cc2c1 ZINC001235901758 819212431 /nfs/dbraw/zinc/21/24/31/819212431.db2.gz DWNQGGUANCCBPK-WCQYABFASA-N 2 2 290.432 3.222 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2sccc21 ZINC001235909155 819219237 /nfs/dbraw/zinc/21/92/37/819219237.db2.gz ZURWJMBAGUVJFJ-YPMHNXCESA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001235909155 819219242 /nfs/dbraw/zinc/21/92/42/819219242.db2.gz ZURWJMBAGUVJFJ-YPMHNXCESA-N 2 2 260.406 3.213 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001235949418 819239187 /nfs/dbraw/zinc/23/91/87/819239187.db2.gz JSOAJJUTLGLJMI-QZTJIDSGSA-N 2 2 266.388 3.003 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001235949418 819239191 /nfs/dbraw/zinc/23/91/91/819239191.db2.gz JSOAJJUTLGLJMI-QZTJIDSGSA-N 2 2 266.388 3.003 20 0 CGADLP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001235971438 819254882 /nfs/dbraw/zinc/25/48/82/819254882.db2.gz WLJPWFUAJHBEOK-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC001235971438 819254886 /nfs/dbraw/zinc/25/48/86/819254886.db2.gz WLJPWFUAJHBEOK-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990326 819262186 /nfs/dbraw/zinc/26/21/86/819262186.db2.gz LYODEDNKYHQGSI-PMACEKPBSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990326 819262194 /nfs/dbraw/zinc/26/21/94/819262194.db2.gz LYODEDNKYHQGSI-PMACEKPBSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989681 819262630 /nfs/dbraw/zinc/26/26/30/819262630.db2.gz JGBBVVYGYKLFRI-DLBZAZTESA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989681 819262635 /nfs/dbraw/zinc/26/26/35/819262635.db2.gz JGBBVVYGYKLFRI-DLBZAZTESA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCC[NH2+]C1 ZINC001236005736 819270732 /nfs/dbraw/zinc/27/07/32/819270732.db2.gz OMEZBTALZHLQEJ-AWEZNQCLSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCC[NH2+]C1 ZINC001236005736 819270738 /nfs/dbraw/zinc/27/07/38/819270738.db2.gz OMEZBTALZHLQEJ-AWEZNQCLSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@H+](Cc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236007689 819272475 /nfs/dbraw/zinc/27/24/75/819272475.db2.gz APXDRVJUHDMCPU-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@@H+](Cc1cccc(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236007689 819272480 /nfs/dbraw/zinc/27/24/80/819272480.db2.gz APXDRVJUHDMCPU-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236043954 819282285 /nfs/dbraw/zinc/28/22/85/819282285.db2.gz GZWVRZUWEKJVKK-HOCLYGCPSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236043954 819282290 /nfs/dbraw/zinc/28/22/90/819282290.db2.gz GZWVRZUWEKJVKK-HOCLYGCPSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)C[C@@H]1[NH3+] ZINC001236094083 819312125 /nfs/dbraw/zinc/31/21/25/819312125.db2.gz MSLCBCVWBSASFI-WBMJQRKESA-N 2 2 280.371 3.365 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)C[C@@H]1[NH3+] ZINC001236094083 819312131 /nfs/dbraw/zinc/31/21/31/819312131.db2.gz MSLCBCVWBSASFI-WBMJQRKESA-N 2 2 280.371 3.365 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cc(OC)ccc1-c1ccccc1 ZINC001236143466 819343588 /nfs/dbraw/zinc/34/35/88/819343588.db2.gz JTAOORMWDBEDKJ-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cc(OC)ccc1-c1ccccc1 ZINC001236143466 819343592 /nfs/dbraw/zinc/34/35/92/819343592.db2.gz JTAOORMWDBEDKJ-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CCC[N@H+](Cc1c(F)ccc(C)c1OC)C1CC[NH2+]CC1 ZINC001236182942 819360369 /nfs/dbraw/zinc/36/03/69/819360369.db2.gz AWENGKFBWRSXCC-UHFFFAOYSA-N 2 2 294.414 3.107 20 0 CGADLP CCC[N@@H+](Cc1c(F)ccc(C)c1OC)C1CC[NH2+]CC1 ZINC001236182942 819360375 /nfs/dbraw/zinc/36/03/75/819360375.db2.gz AWENGKFBWRSXCC-UHFFFAOYSA-N 2 2 294.414 3.107 20 0 CGADLP C[N@H+](Cc1cccc(Br)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236203461 819366367 /nfs/dbraw/zinc/36/63/67/819366367.db2.gz ZWVUFYSEXVQHTB-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1cccc(Br)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236203461 819366374 /nfs/dbraw/zinc/36/63/74/819366374.db2.gz ZWVUFYSEXVQHTB-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236209653 819372207 /nfs/dbraw/zinc/37/22/07/819372207.db2.gz XYGGCQXVNGFJQH-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236209653 819372215 /nfs/dbraw/zinc/37/22/15/819372215.db2.gz XYGGCQXVNGFJQH-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236211462 819373477 /nfs/dbraw/zinc/37/34/77/819373477.db2.gz IHMCSLFNZIWELD-WMZOPIPTSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])ccc2c1 ZINC001236211462 819373485 /nfs/dbraw/zinc/37/34/85/819373485.db2.gz IHMCSLFNZIWELD-WMZOPIPTSA-N 2 2 283.419 3.245 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216104 819380584 /nfs/dbraw/zinc/38/05/84/819380584.db2.gz ZONSDNZSMBGTGX-KGLIPLIRSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216104 819380593 /nfs/dbraw/zinc/38/05/93/819380593.db2.gz ZONSDNZSMBGTGX-KGLIPLIRSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216372 819381107 /nfs/dbraw/zinc/38/11/07/819381107.db2.gz JVQXSPYKNBQRNW-HKUYNNGSSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)n1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216372 819381112 /nfs/dbraw/zinc/38/11/12/819381112.db2.gz JVQXSPYKNBQRNW-HKUYNNGSSA-N 2 2 295.430 3.450 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236218021 819384107 /nfs/dbraw/zinc/38/41/07/819384107.db2.gz QZSVIDAMRXLBOA-DOTOQJQBSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236218021 819384112 /nfs/dbraw/zinc/38/41/12/819384112.db2.gz QZSVIDAMRXLBOA-DOTOQJQBSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236237635 819396111 /nfs/dbraw/zinc/39/61/11/819396111.db2.gz TYYBFGGTYHSEBV-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236237635 819396120 /nfs/dbraw/zinc/39/61/20/819396120.db2.gz TYYBFGGTYHSEBV-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP CCC[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324260 819425829 /nfs/dbraw/zinc/42/58/29/819425829.db2.gz RMUUPKNNNOMIGP-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236324260 819425833 /nfs/dbraw/zinc/42/58/33/819425833.db2.gz RMUUPKNNNOMIGP-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001236325026 819426766 /nfs/dbraw/zinc/42/67/66/819426766.db2.gz WXZRBLPXONUIME-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001236325026 819426772 /nfs/dbraw/zinc/42/67/72/819426772.db2.gz WXZRBLPXONUIME-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP Fc1ccc(C[N@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389035 819446508 /nfs/dbraw/zinc/44/65/08/819446508.db2.gz RNNTUZOETCPEPA-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccc(C[N@@H+](CCC2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389035 819446510 /nfs/dbraw/zinc/44/65/10/819446510.db2.gz RNNTUZOETCPEPA-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP CC(C)(C)C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396651 819449972 /nfs/dbraw/zinc/44/99/72/819449972.db2.gz YNZDJUXHKUFEAS-INIZCTEOSA-N 2 2 278.415 3.426 20 0 CGADLP CC(C)(C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396651 819449977 /nfs/dbraw/zinc/44/99/77/819449977.db2.gz YNZDJUXHKUFEAS-INIZCTEOSA-N 2 2 278.415 3.426 20 0 CGADLP Cc1cc(-c2cccc(C[NH+](C)C)c2)c2[nH+]ccn2c1 ZINC001236418502 819464423 /nfs/dbraw/zinc/46/44/23/819464423.db2.gz CGSVXXPZLPMHKV-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419186 819466117 /nfs/dbraw/zinc/46/61/17/819466117.db2.gz HIYNZZRZHWGLAA-SJCJKPOMSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419186 819466122 /nfs/dbraw/zinc/46/61/22/819466122.db2.gz HIYNZZRZHWGLAA-SJCJKPOMSA-N 2 2 272.367 3.291 20 0 CGADLP CC(C)[N@H+](Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236468554 819489416 /nfs/dbraw/zinc/48/94/16/819489416.db2.gz IKLPJZRKLVTDSV-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236468554 819489419 /nfs/dbraw/zinc/48/94/19/819489419.db2.gz IKLPJZRKLVTDSV-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP [NH3+]CC[N@H+](CCCc1cccc(F)c1)Cc1ccccc1 ZINC001236522387 819514601 /nfs/dbraw/zinc/51/46/01/819514601.db2.gz NSOIYINMFFGYMA-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP [NH3+]CC[N@@H+](CCCc1cccc(F)c1)Cc1ccccc1 ZINC001236522387 819514602 /nfs/dbraw/zinc/51/46/02/819514602.db2.gz NSOIYINMFFGYMA-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP CCC[N@@H+](Cc1cccc(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836535 819617532 /nfs/dbraw/zinc/61/75/32/819617532.db2.gz WZGGSGPHFYSUHM-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1cccc(F)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836535 819617537 /nfs/dbraw/zinc/61/75/37/819617537.db2.gz WZGGSGPHFYSUHM-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082384 819662714 /nfs/dbraw/zinc/66/27/14/819662714.db2.gz PJZNWAXJIMOVNN-QGZVFWFLSA-N 2 2 294.414 3.174 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082384 819662716 /nfs/dbraw/zinc/66/27/16/819662716.db2.gz PJZNWAXJIMOVNN-QGZVFWFLSA-N 2 2 294.414 3.174 20 0 CGADLP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1F ZINC001237142811 819676998 /nfs/dbraw/zinc/67/69/98/819676998.db2.gz BYVWEPCYPOLURO-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1F ZINC001237142811 819677001 /nfs/dbraw/zinc/67/70/01/819677001.db2.gz BYVWEPCYPOLURO-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Fc1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(Cl)c1 ZINC001237384008 819740815 /nfs/dbraw/zinc/74/08/15/819740815.db2.gz TYADQLRKEVSRIQ-CZUORRHYSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(Cl)c1 ZINC001237384008 819740821 /nfs/dbraw/zinc/74/08/21/819740821.db2.gz TYADQLRKEVSRIQ-CZUORRHYSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237411577 819747625 /nfs/dbraw/zinc/74/76/25/819747625.db2.gz GXSOBIINYAEMLN-BBRMVZONSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237411577 819747628 /nfs/dbraw/zinc/74/76/28/819747628.db2.gz GXSOBIINYAEMLN-BBRMVZONSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc2c1CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104086 819933495 /nfs/dbraw/zinc/93/34/95/819933495.db2.gz SJGHRHMWJKOYLW-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1cccc2c1CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238104086 819933502 /nfs/dbraw/zinc/93/35/02/819933502.db2.gz SJGHRHMWJKOYLW-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239482032 820333093 /nfs/dbraw/zinc/33/30/93/820333093.db2.gz ZFZWLNRXSXSAIW-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239482032 820333104 /nfs/dbraw/zinc/33/31/04/820333104.db2.gz ZFZWLNRXSXSAIW-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP CCc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239588263 820437507 /nfs/dbraw/zinc/43/75/07/820437507.db2.gz BONYLIBMJIZYOM-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239588263 820437512 /nfs/dbraw/zinc/43/75/12/820437512.db2.gz BONYLIBMJIZYOM-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP Cn1ccc2c1cc[nH+]c2-c1ccccc1C[NH+](C)C ZINC001239679559 820515638 /nfs/dbraw/zinc/51/56/38/820515638.db2.gz FJROYPSZMFDCBW-UHFFFAOYSA-N 2 2 265.360 3.302 20 0 CGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1C ZINC001241036582 821513250 /nfs/dbraw/zinc/51/32/50/821513250.db2.gz AVUQGQMCHRDOQS-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1C ZINC001241036582 821513253 /nfs/dbraw/zinc/51/32/53/821513253.db2.gz AVUQGQMCHRDOQS-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1F ZINC001241279752 821698447 /nfs/dbraw/zinc/69/84/47/821698447.db2.gz VECIQSZGSTZBJX-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP c1ccc(C[N@H+]2CC=C(c3cc[nH+]c4c3CCN4)CC2)cc1 ZINC001241507843 821907030 /nfs/dbraw/zinc/90/70/30/821907030.db2.gz RAUSAJXVPJCCAW-UHFFFAOYSA-N 2 2 291.398 3.339 20 0 CGADLP c1ccc(C[N@@H+]2CC=C(c3cc[nH+]c4c3CCN4)CC2)cc1 ZINC001241507843 821907036 /nfs/dbraw/zinc/90/70/36/821907036.db2.gz RAUSAJXVPJCCAW-UHFFFAOYSA-N 2 2 291.398 3.339 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241759549 822130618 /nfs/dbraw/zinc/13/06/18/822130618.db2.gz SGAYSOUNALRPTE-UHFFFAOYSA-N 2 2 297.402 3.196 20 0 CGADLP Cc1cc(-c2ccc3c(c2)C[N@H+](C)CC3)cc(C)[nH+]1 ZINC001241994714 822263294 /nfs/dbraw/zinc/26/32/94/822263294.db2.gz CMEVEAKSMGSUEC-UHFFFAOYSA-N 2 2 252.361 3.353 20 0 CGADLP Cc1cc(-c2ccc3c(c2)C[N@@H+](C)CC3)cc(C)[nH+]1 ZINC001241994714 822263296 /nfs/dbraw/zinc/26/32/96/822263296.db2.gz CMEVEAKSMGSUEC-UHFFFAOYSA-N 2 2 252.361 3.353 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088550 936397670 /nfs/dbraw/zinc/39/76/70/936397670.db2.gz RFEGOXOZIBZMDJ-HUUCEWRRSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088550 936397674 /nfs/dbraw/zinc/39/76/74/936397674.db2.gz RFEGOXOZIBZMDJ-HUUCEWRRSA-N 2 2 277.456 3.357 20 0 CGADLP c1[nH]cc(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]1 ZINC001348031970 936907789 /nfs/dbraw/zinc/90/77/89/936907789.db2.gz WIOWIONLZZKMDX-UHFFFAOYSA-N 2 2 278.359 3.342 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(CC)CC ZINC001351320100 937014666 /nfs/dbraw/zinc/01/46/66/937014666.db2.gz KXPZMTCAZJVBCH-CABCVRRESA-N 2 2 279.428 3.100 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031604 927007584 /nfs/dbraw/zinc/00/75/84/927007584.db2.gz LXFNCNMTVABDEB-WDMOLILDSA-N 2 2 252.789 3.131 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]CCCC(F)(F)F)c1cccnc1 ZINC001355350002 937137961 /nfs/dbraw/zinc/13/79/61/937137961.db2.gz UBQBDIPIJYHQIZ-ZDUSSCGKSA-N 2 2 289.345 3.007 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000163457224 928261963 /nfs/dbraw/zinc/26/19/63/928261963.db2.gz OPPJDOVDLKMJEG-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000163457224 928261972 /nfs/dbraw/zinc/26/19/72/928261972.db2.gz OPPJDOVDLKMJEG-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP CCCN(CC[NH+]1CCCCCC1)c1cc(C)[nH+]c(C)n1 ZINC001458415401 937461550 /nfs/dbraw/zinc/46/15/50/937461550.db2.gz OZILXFQKEBOHQP-UHFFFAOYSA-N 2 2 290.455 3.186 20 0 CGADLP CC[C@@H](c1cccc(OC2C[NH+](C)C2)c1)[C@@H](C)C[NH+](C)C ZINC001228898994 932047705 /nfs/dbraw/zinc/04/77/05/932047705.db2.gz MUJLRXWRASRHCU-KBXCAEBGSA-N 2 2 290.451 3.071 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001461682403 937592059 /nfs/dbraw/zinc/59/20/59/937592059.db2.gz OBIOZESFPRTFKO-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1C ZINC001461682403 937592062 /nfs/dbraw/zinc/59/20/62/937592062.db2.gz OBIOZESFPRTFKO-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP C[NH+](C)C1CCC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001231082137 932674997 /nfs/dbraw/zinc/67/49/97/932674997.db2.gz RVRJABGTLPUOOJ-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C1CC1 ZINC000383667251 932740327 /nfs/dbraw/zinc/74/03/27/932740327.db2.gz SDLOUGZJJFJELH-GOSISDBHSA-N 2 2 280.415 3.221 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383667251 932740333 /nfs/dbraw/zinc/74/03/33/932740333.db2.gz SDLOUGZJJFJELH-GOSISDBHSA-N 2 2 280.415 3.221 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167188 933063850 /nfs/dbraw/zinc/06/38/50/933063850.db2.gz OGKSUWLQNLAWMO-LBPRGKRZSA-N 2 2 285.382 3.281 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC001462654134 937657235 /nfs/dbraw/zinc/65/72/35/937657235.db2.gz MTNWVRAPYOGXDK-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC001462654134 937657236 /nfs/dbraw/zinc/65/72/36/937657236.db2.gz MTNWVRAPYOGXDK-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001308339168 933097481 /nfs/dbraw/zinc/09/74/81/933097481.db2.gz XCWXBFZCOMGDGZ-IIDMSEBBSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671035 937658172 /nfs/dbraw/zinc/65/81/72/937658172.db2.gz SQDSNLFKJLGUEO-ILXRZTDVSA-N 2 2 275.440 3.474 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671035 937658174 /nfs/dbraw/zinc/65/81/74/937658174.db2.gz SQDSNLFKJLGUEO-ILXRZTDVSA-N 2 2 275.440 3.474 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCC(C)C ZINC001308745458 933168347 /nfs/dbraw/zinc/16/83/47/933168347.db2.gz XEDMIRHHJCFJFO-UHFFFAOYSA-N 2 2 292.467 3.495 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCC(C)C ZINC001308745458 933168349 /nfs/dbraw/zinc/16/83/49/933168349.db2.gz XEDMIRHHJCFJFO-UHFFFAOYSA-N 2 2 292.467 3.495 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)[C@H](C)C1 ZINC001319382031 933866338 /nfs/dbraw/zinc/86/63/38/933866338.db2.gz CQXZTVXZUWBAHP-BXUZGUMPSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)[C@H](C)C1 ZINC001319382031 933866347 /nfs/dbraw/zinc/86/63/47/933866347.db2.gz CQXZTVXZUWBAHP-BXUZGUMPSA-N 2 2 284.806 3.299 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001319920286 933958673 /nfs/dbraw/zinc/95/86/73/933958673.db2.gz ZDGAYNFLVQPBFU-MRXNPFEDSA-N 2 2 273.355 3.032 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001319920286 933958682 /nfs/dbraw/zinc/95/86/82/933958682.db2.gz ZDGAYNFLVQPBFU-MRXNPFEDSA-N 2 2 273.355 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320056375 933987680 /nfs/dbraw/zinc/98/76/80/933987680.db2.gz VSSOUICLBFHKAB-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320056375 933987688 /nfs/dbraw/zinc/98/76/88/933987688.db2.gz VSSOUICLBFHKAB-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001320532018 934061475 /nfs/dbraw/zinc/06/14/75/934061475.db2.gz LZIDOTIQIDQZJS-DYVFJYSZSA-N 2 2 298.390 3.196 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC001321423592 934183235 /nfs/dbraw/zinc/18/32/35/934183235.db2.gz BPACEJBHFXQXOQ-KRWDZBQOSA-N 2 2 294.483 3.284 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC001325718329 934924823 /nfs/dbraw/zinc/92/48/23/934924823.db2.gz RSOQOVOUIWQKSF-RBZYPMLTSA-N 2 2 270.779 3.270 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724808 937819303 /nfs/dbraw/zinc/81/93/03/937819303.db2.gz GXGMGTRTGUIGQD-DQYPLSBCSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724808 937819305 /nfs/dbraw/zinc/81/93/05/937819305.db2.gz GXGMGTRTGUIGQD-DQYPLSBCSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724808 937819307 /nfs/dbraw/zinc/81/93/07/937819307.db2.gz GXGMGTRTGUIGQD-DQYPLSBCSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724808 937819308 /nfs/dbraw/zinc/81/93/08/937819308.db2.gz GXGMGTRTGUIGQD-DQYPLSBCSA-N 2 2 290.838 3.353 20 0 CGADLP FC1(F)CC12CC([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001330302110 935284404 /nfs/dbraw/zinc/28/44/04/935284404.db2.gz NKWRTEMGYRGJCG-UHFFFAOYSA-N 2 2 289.329 3.150 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)c2c1 ZINC001330795240 935322843 /nfs/dbraw/zinc/32/28/43/935322843.db2.gz UXDFTWDQFWFZBK-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)c2c1 ZINC001330795240 935322850 /nfs/dbraw/zinc/32/28/50/935322850.db2.gz UXDFTWDQFWFZBK-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1)C1CC1 ZINC001331673898 935402591 /nfs/dbraw/zinc/40/25/91/935402591.db2.gz INGYUXIMRLXYJD-QGZVFWFLSA-N 2 2 287.451 3.347 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC001334076751 936083958 /nfs/dbraw/zinc/08/39/58/936083958.db2.gz OKAXKKHSBMBHCW-INIZCTEOSA-N 2 2 269.392 3.363 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001473768290 937820856 /nfs/dbraw/zinc/82/08/56/937820856.db2.gz ADPYDXQFLNTNPE-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001473768290 937820858 /nfs/dbraw/zinc/82/08/58/937820858.db2.gz ADPYDXQFLNTNPE-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001473768290 937820860 /nfs/dbraw/zinc/82/08/60/937820860.db2.gz ADPYDXQFLNTNPE-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001473768290 937820862 /nfs/dbraw/zinc/82/08/62/937820862.db2.gz ADPYDXQFLNTNPE-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001473856757 937825274 /nfs/dbraw/zinc/82/52/74/937825274.db2.gz RPICSXVAXPUFCM-IAGOWNOFSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001473856757 937825276 /nfs/dbraw/zinc/82/52/76/937825276.db2.gz RPICSXVAXPUFCM-IAGOWNOFSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC001473952895 937832249 /nfs/dbraw/zinc/83/22/49/937832249.db2.gz UGXXAVPRUHJMES-UHFFFAOYSA-N 2 2 292.452 3.108 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]C2CCC3(CCC3)CC2)CCSC1 ZINC001474034323 937836604 /nfs/dbraw/zinc/83/66/04/937836604.db2.gz RPTJOHXNJTVVSB-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1NCc1cccc2[nH+]ccn21 ZINC001474055651 937837802 /nfs/dbraw/zinc/83/78/02/937837802.db2.gz JIVWPYQBNVJUBN-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CCC1 ZINC001474450013 937860536 /nfs/dbraw/zinc/86/05/36/937860536.db2.gz DXLUXVIWNCGDAB-KBPBESRZSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745513 937878496 /nfs/dbraw/zinc/87/84/96/937878496.db2.gz HQBCRCGPOYUBMB-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745513 937878498 /nfs/dbraw/zinc/87/84/98/937878498.db2.gz HQBCRCGPOYUBMB-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001515254065 938005115 /nfs/dbraw/zinc/00/51/15/938005115.db2.gz ZFSKGIQPDUHARS-UHFFFAOYSA-N 2 2 296.349 3.481 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001549546338 938157923 /nfs/dbraw/zinc/15/79/23/938157923.db2.gz NKOMGZJKUAQKGL-VNHYZAJKSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001549546338 938157924 /nfs/dbraw/zinc/15/79/24/938157924.db2.gz NKOMGZJKUAQKGL-VNHYZAJKSA-N 2 2 286.410 3.417 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)C1(C)C ZINC001559844950 938236809 /nfs/dbraw/zinc/23/68/09/938236809.db2.gz BRGLMDAIIJLFAB-HLLBOEOZSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)C1(C)C ZINC001559844950 938236810 /nfs/dbraw/zinc/23/68/10/938236810.db2.gz BRGLMDAIIJLFAB-HLLBOEOZSA-N 2 2 282.472 3.043 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(C(C)(C)C)oc2C)CC1 ZINC001560247980 938248970 /nfs/dbraw/zinc/24/89/70/938248970.db2.gz QEEJWMFFZGXSGE-UHFFFAOYSA-N 2 2 278.440 3.459 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001560616028 938265896 /nfs/dbraw/zinc/26/58/96/938265896.db2.gz KZUZWNSISYVMIH-KBPBESRZSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001560616028 938265897 /nfs/dbraw/zinc/26/58/97/938265897.db2.gz KZUZWNSISYVMIH-KBPBESRZSA-N 2 2 252.446 3.133 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001560805994 938276909 /nfs/dbraw/zinc/27/69/09/938276909.db2.gz PDJSXAPJZBBMEO-QZTJIDSGSA-N 2 2 286.463 3.254 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001560805994 938276910 /nfs/dbraw/zinc/27/69/10/938276910.db2.gz PDJSXAPJZBBMEO-QZTJIDSGSA-N 2 2 286.463 3.254 20 0 CGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC(C)C ZINC001560934623 938285062 /nfs/dbraw/zinc/28/50/62/938285062.db2.gz VYDFMKYOUCPXBZ-IRXDYDNUSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC(C)C ZINC001560934623 938285064 /nfs/dbraw/zinc/28/50/64/938285064.db2.gz VYDFMKYOUCPXBZ-IRXDYDNUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@]2(C)CC2(Cl)Cl)[C@@H]1C ZINC001576648752 962481793 /nfs/dbraw/zinc/48/17/93/962481793.db2.gz AYHLFOOZGMBDLI-KKOKHZNYSA-N 2 2 279.255 3.018 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@]2(C)CC2(Cl)Cl)[C@@H]1C ZINC001576648752 962481801 /nfs/dbraw/zinc/48/18/01/962481801.db2.gz AYHLFOOZGMBDLI-KKOKHZNYSA-N 2 2 279.255 3.018 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@]2(C)CC2(Cl)Cl)[C@@H]1C ZINC001576648751 962485046 /nfs/dbraw/zinc/48/50/46/962485046.db2.gz AYHLFOOZGMBDLI-DDHJBXDOSA-N 2 2 279.255 3.018 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@]2(C)CC2(Cl)Cl)[C@@H]1C ZINC001576648751 962485048 /nfs/dbraw/zinc/48/50/48/962485048.db2.gz AYHLFOOZGMBDLI-DDHJBXDOSA-N 2 2 279.255 3.018 20 0 CGADLP CC[C@@H](OCC[N@H+](CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184920 962518381 /nfs/dbraw/zinc/51/83/81/962518381.db2.gz OQFAFHFHHUMVJL-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@@H](OCC[N@@H+](CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184920 962518404 /nfs/dbraw/zinc/51/84/04/962518404.db2.gz OQFAFHFHHUMVJL-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@H+](CC[NH3+])C/C(C)=C\c1ccccc1C(F)(F)F ZINC001577720937 962563381 /nfs/dbraw/zinc/56/33/81/962563381.db2.gz FCXVLJSXYHRPEW-BENRWUELSA-N 2 2 286.341 3.389 20 0 CGADLP CC[N@@H+](CC[NH3+])C/C(C)=C\c1ccccc1C(F)(F)F ZINC001577720937 962563398 /nfs/dbraw/zinc/56/33/98/962563398.db2.gz FCXVLJSXYHRPEW-BENRWUELSA-N 2 2 286.341 3.389 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC001577821288 962563796 /nfs/dbraw/zinc/56/37/96/962563796.db2.gz HAYJXSNYLVBONF-UHFFFAOYSA-N 2 2 283.419 3.117 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cncc2ccccc21)c1ccccc1 ZINC001580133250 962698841 /nfs/dbraw/zinc/69/88/41/962698841.db2.gz WPVJWZDDCUILQP-GOSISDBHSA-N 2 2 277.371 3.024 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)ccc2[nH]1 ZINC001580895959 962742080 /nfs/dbraw/zinc/74/20/80/962742080.db2.gz VWWYDJAZUJLGQI-PKOBYXMFSA-N 2 2 291.398 3.013 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000124529352 187141854 /nfs/dbraw/zinc/14/18/54/187141854.db2.gz RSAHBIHZIYFUIC-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000124529352 187141855 /nfs/dbraw/zinc/14/18/55/187141855.db2.gz RSAHBIHZIYFUIC-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000621340915 349501692 /nfs/dbraw/zinc/50/16/92/349501692.db2.gz WCNOATUOLUBPFL-LRDDRELGSA-N 2 2 278.465 3.273 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000621340915 349501695 /nfs/dbraw/zinc/50/16/95/349501695.db2.gz WCNOATUOLUBPFL-LRDDRELGSA-N 2 2 278.465 3.273 20 0 CGADLP COc1nc(C)cc(C)c1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000621388737 349517102 /nfs/dbraw/zinc/51/71/02/349517102.db2.gz ICKQEVSVVYYHMX-UHFFFAOYSA-N 2 2 299.418 3.085 20 0 CGADLP COc1nc(C)cc(C)c1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000621388737 349517106 /nfs/dbraw/zinc/51/71/06/349517106.db2.gz ICKQEVSVVYYHMX-UHFFFAOYSA-N 2 2 299.418 3.085 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000651225514 398218129 /nfs/dbraw/zinc/21/81/29/398218129.db2.gz FRPRHCKGRQLFSE-HUUCEWRRSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000651225514 398218132 /nfs/dbraw/zinc/21/81/32/398218132.db2.gz FRPRHCKGRQLFSE-HUUCEWRRSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)c1ccncc1 ZINC000651241166 398221358 /nfs/dbraw/zinc/22/13/58/398221358.db2.gz NYOOLHWTLNVZFS-KRWDZBQOSA-N 2 2 294.402 3.321 20 0 CGADLP Cc1cccc(NCc2ccc(Cn3cc[nH+]c3)cc2)[nH+]1 ZINC000127770523 187331853 /nfs/dbraw/zinc/33/18/53/187331853.db2.gz IXKZRBTWYNOJGG-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337525609 214138399 /nfs/dbraw/zinc/13/83/99/214138399.db2.gz RKQIPBDOKIXABT-WMZOPIPTSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)no1 ZINC000337529830 214139749 /nfs/dbraw/zinc/13/97/49/214139749.db2.gz CKQRNFOAMZVTEN-AWEZNQCLSA-N 2 2 291.439 3.431 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)no1 ZINC000337529833 214142407 /nfs/dbraw/zinc/14/24/07/214142407.db2.gz CKQRNFOAMZVTEN-CQSZACIVSA-N 2 2 291.439 3.431 20 0 CGADLP CCN(CCC[NH+]1CCCC1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000350670821 219047086 /nfs/dbraw/zinc/04/70/86/219047086.db2.gz UNKQAGZQNNCQLG-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651669092 398265960 /nfs/dbraw/zinc/26/59/60/398265960.db2.gz FDRBXZVCJMFLCU-OAHLLOKOSA-N 2 2 295.430 3.493 20 0 CGADLP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797560 398290079 /nfs/dbraw/zinc/29/00/79/398290079.db2.gz YHSFPLFMRVZOQJ-ZBFHGGJFSA-N 2 2 261.413 3.278 20 0 CGADLP c1c(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)[nH+]c2ccccn12 ZINC000337989788 214348357 /nfs/dbraw/zinc/34/83/57/214348357.db2.gz OMTNMPCFXJGYDB-CVEARBPZSA-N 2 2 269.392 3.045 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000337986509 214343677 /nfs/dbraw/zinc/34/36/77/214343677.db2.gz DPIOEFJDPLFFSS-CYBMUJFWSA-N 2 2 293.361 3.162 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000651911531 398306502 /nfs/dbraw/zinc/30/65/02/398306502.db2.gz DPCPHRLWUDUXOV-PWNZVWSESA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+]1C1CC1 ZINC000651911531 398306505 /nfs/dbraw/zinc/30/65/05/398306505.db2.gz DPCPHRLWUDUXOV-PWNZVWSESA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358174035 529413260 /nfs/dbraw/zinc/41/32/60/529413260.db2.gz WIIGXEJXVYLRKD-CABCVRRESA-N 2 2 275.440 3.070 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423486592 529501350 /nfs/dbraw/zinc/50/13/50/529501350.db2.gz ZPKDNYAQZUNRNC-NWDGAFQWSA-N 2 2 260.381 3.383 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423484668 529568954 /nfs/dbraw/zinc/56/89/54/529568954.db2.gz YSTPWXUASQELGP-QZTJIDSGSA-N 2 2 268.404 3.411 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1C[C@H]1C ZINC000414062042 529608859 /nfs/dbraw/zinc/60/88/59/529608859.db2.gz KVWYDXJXZHXDRK-NJAFHUGGSA-N 2 2 297.446 3.498 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1F ZINC000423517443 529612173 /nfs/dbraw/zinc/61/21/73/529612173.db2.gz YTYGAIPDBNPDOE-SJCJKPOMSA-N 2 2 287.382 3.134 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000423507769 529616595 /nfs/dbraw/zinc/61/65/95/529616595.db2.gz QJXJPOMGHMKZOR-USXIJHARSA-N 2 2 260.425 3.273 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1F ZINC000423546529 529656000 /nfs/dbraw/zinc/65/60/00/529656000.db2.gz FLGSRMYRIVIIEX-DOMZBBRYSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OC)cc1 ZINC000367438206 529635044 /nfs/dbraw/zinc/63/50/44/529635044.db2.gz LLIYCTYHNWVKSU-KRWDZBQOSA-N 2 2 299.418 3.469 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1C ZINC000414114823 529658529 /nfs/dbraw/zinc/65/85/29/529658529.db2.gz MEFGZROCGHICIK-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H]1C ZINC000414114823 529658530 /nfs/dbraw/zinc/65/85/30/529658530.db2.gz MEFGZROCGHICIK-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423560604 529668616 /nfs/dbraw/zinc/66/86/16/529668616.db2.gz VEVLWYQIBMXQNG-JQFCIGGWSA-N 2 2 276.424 3.124 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC1(C)C ZINC000623378835 349794136 /nfs/dbraw/zinc/79/41/36/349794136.db2.gz TYSYVRMTRPQEQJ-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)CC1(C)C ZINC000623378835 349794139 /nfs/dbraw/zinc/79/41/39/349794139.db2.gz TYSYVRMTRPQEQJ-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC1(C)C ZINC000623430413 349807008 /nfs/dbraw/zinc/80/70/08/349807008.db2.gz PAHMFMDUQZPUSW-HNNXBMFYSA-N 2 2 299.418 3.304 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC1(C)C ZINC000623430413 349807011 /nfs/dbraw/zinc/80/70/11/349807011.db2.gz PAHMFMDUQZPUSW-HNNXBMFYSA-N 2 2 299.418 3.304 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000623431167 349808281 /nfs/dbraw/zinc/80/82/81/349808281.db2.gz WVIMEBXYLLVGJY-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000623431167 349808282 /nfs/dbraw/zinc/80/82/82/349808282.db2.gz WVIMEBXYLLVGJY-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c[nH+]1 ZINC000351232469 219086969 /nfs/dbraw/zinc/08/69/69/219086969.db2.gz YAFYGSIVHOSUAL-YJBOKZPZSA-N 2 2 296.414 3.477 20 0 CGADLP Cc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000128066542 187349223 /nfs/dbraw/zinc/34/92/23/187349223.db2.gz GJRJYLCGOIDCOW-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128094900 187351082 /nfs/dbraw/zinc/35/10/82/187351082.db2.gz IBPOPAPYNSNIBF-KBAYOESNSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ccc(F)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351571044 219129573 /nfs/dbraw/zinc/12/95/73/219129573.db2.gz RBSZHTMEWDAJGI-UHFFFAOYSA-N 2 2 296.349 3.386 20 0 CGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000623878250 349903053 /nfs/dbraw/zinc/90/30/53/349903053.db2.gz CUKBKHVUZSDCJN-AWEZNQCLSA-N 2 2 291.464 3.127 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423226272 529978463 /nfs/dbraw/zinc/97/84/63/529978463.db2.gz QCKRJTHVJGZLJZ-AWEZNQCLSA-N 2 2 254.377 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000423222984 529978950 /nfs/dbraw/zinc/97/89/50/529978950.db2.gz DKLYHSJCUZBLBO-MRXNPFEDSA-N 2 2 298.430 3.444 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623928051 349919090 /nfs/dbraw/zinc/91/90/90/349919090.db2.gz BYCAPBQBSOIXAE-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623928051 349919096 /nfs/dbraw/zinc/91/90/96/349919096.db2.gz BYCAPBQBSOIXAE-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000132634823 232194729 /nfs/dbraw/zinc/19/47/29/232194729.db2.gz QQVSZOLEFXFRRN-YDHLFZDLSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000132634823 232194732 /nfs/dbraw/zinc/19/47/32/232194732.db2.gz QQVSZOLEFXFRRN-YDHLFZDLSA-N 2 2 276.399 3.410 20 0 CGADLP c1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000144877955 232200742 /nfs/dbraw/zinc/20/07/42/232200742.db2.gz MORSPGHTWXIFQR-HXUWFJFHSA-N 2 2 294.442 3.483 20 0 CGADLP c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000144877955 232200745 /nfs/dbraw/zinc/20/07/45/232200745.db2.gz MORSPGHTWXIFQR-HXUWFJFHSA-N 2 2 294.442 3.483 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ncccc2C)n1-c1ccccc1 ZINC000081292712 345704879 /nfs/dbraw/zinc/70/48/79/345704879.db2.gz SFNVPFWKWJRYPU-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000157194501 232232011 /nfs/dbraw/zinc/23/20/11/232232011.db2.gz TWCNZILOUBQVER-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP c1c[nH+]c([C@@H]2CCCN(c3cc[nH+]c4ccsc43)C2)[nH]1 ZINC000091479723 345816019 /nfs/dbraw/zinc/81/60/19/345816019.db2.gz CBWPJHAVLQASAA-LLVKDONJSA-N 2 2 284.388 3.403 20 0 CGADLP CC1CC[NH+](C[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000091476399 345816029 /nfs/dbraw/zinc/81/60/29/345816029.db2.gz HAWCMMACYNYAFQ-MRXNPFEDSA-N 2 2 273.424 3.030 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1C ZINC000090047496 345779347 /nfs/dbraw/zinc/77/93/47/345779347.db2.gz KSYFWLZVWWXNPW-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090117000 345783976 /nfs/dbraw/zinc/78/39/76/345783976.db2.gz NHMUCWALBZAAKJ-HOTGVXAUSA-N 2 2 289.467 3.460 20 0 CGADLP CS[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193385 345785642 /nfs/dbraw/zinc/78/56/42/345785642.db2.gz LTFHOIQZACVIAQ-ZBFHGGJFSA-N 2 2 292.492 3.381 20 0 CGADLP CS[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193385 345785644 /nfs/dbraw/zinc/78/56/44/345785644.db2.gz LTFHOIQZACVIAQ-ZBFHGGJFSA-N 2 2 292.492 3.381 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000090846710 345795659 /nfs/dbraw/zinc/79/56/59/345795659.db2.gz SIBGKHZVNJBSCE-OAHLLOKOSA-N 2 2 283.419 3.349 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090846989 345796108 /nfs/dbraw/zinc/79/61/08/345796108.db2.gz YJYJIAHEBFFKHS-CYBMUJFWSA-N 2 2 288.366 3.431 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092072361 345830625 /nfs/dbraw/zinc/83/06/25/345830625.db2.gz KGYZKNBQEIHQCQ-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092072361 345830628 /nfs/dbraw/zinc/83/06/28/345830628.db2.gz KGYZKNBQEIHQCQ-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000093865946 345890062 /nfs/dbraw/zinc/89/00/62/345890062.db2.gz QTUFNQMDVJWVPW-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000093865946 345890064 /nfs/dbraw/zinc/89/00/64/345890064.db2.gz QTUFNQMDVJWVPW-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000093175454 345871609 /nfs/dbraw/zinc/87/16/09/345871609.db2.gz WOOGBJRMVFGQCJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000093175454 345871611 /nfs/dbraw/zinc/87/16/11/345871611.db2.gz WOOGBJRMVFGQCJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(F)F)CC1 ZINC000171991948 346213355 /nfs/dbraw/zinc/21/33/55/346213355.db2.gz PJKYIKHEWYOOAX-UHFFFAOYSA-N 2 2 282.378 3.096 20 0 CGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(F)F)CC1 ZINC000171991948 346213359 /nfs/dbraw/zinc/21/33/59/346213359.db2.gz PJKYIKHEWYOOAX-UHFFFAOYSA-N 2 2 282.378 3.096 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC000295140261 199368694 /nfs/dbraw/zinc/36/86/94/199368694.db2.gz ZJEROXFOWAJJBV-GOEBONIOSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@H+]1C ZINC000295140261 199368695 /nfs/dbraw/zinc/36/86/95/199368695.db2.gz ZJEROXFOWAJJBV-GOEBONIOSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140261 199368697 /nfs/dbraw/zinc/36/86/97/199368697.db2.gz ZJEROXFOWAJJBV-GOEBONIOSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140261 199368699 /nfs/dbraw/zinc/36/86/99/199368699.db2.gz ZJEROXFOWAJJBV-GOEBONIOSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000624100886 349970399 /nfs/dbraw/zinc/97/03/99/349970399.db2.gz TYQVRQGXONKJJS-VBQJREDUSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000624100886 349970402 /nfs/dbraw/zinc/97/04/02/349970402.db2.gz TYQVRQGXONKJJS-VBQJREDUSA-N 2 2 258.409 3.309 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000584776487 346713698 /nfs/dbraw/zinc/71/36/98/346713698.db2.gz DDFPVAAYWVLBDM-QGZVFWFLSA-N 2 2 267.376 3.068 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)n1C ZINC000584791704 346715205 /nfs/dbraw/zinc/71/52/05/346715205.db2.gz KLRDIZJYWFHIIJ-JOCQHMNTSA-N 2 2 289.810 3.418 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1C ZINC000584850756 346718936 /nfs/dbraw/zinc/71/89/36/346718936.db2.gz QQDVKYXBMBVNGF-GOEBONIOSA-N 2 2 287.382 3.294 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)ccc1F ZINC000584583501 346684769 /nfs/dbraw/zinc/68/47/69/346684769.db2.gz XREZXDHZDHZBBU-RDTXWAMCSA-N 2 2 299.393 3.455 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)ccc1F ZINC000584583501 346684773 /nfs/dbraw/zinc/68/47/73/346684773.db2.gz XREZXDHZDHZBBU-RDTXWAMCSA-N 2 2 299.393 3.455 20 0 CGADLP Fc1ccccc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123752097 136705259 /nfs/dbraw/zinc/70/52/59/136705259.db2.gz GQFQSHPZWLDRDV-UHFFFAOYSA-N 2 2 299.393 3.022 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000123734159 535062347 /nfs/dbraw/zinc/06/23/47/535062347.db2.gz FOGAGSAPDNTSGR-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000123734159 535062349 /nfs/dbraw/zinc/06/23/49/535062349.db2.gz FOGAGSAPDNTSGR-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000128416830 535065107 /nfs/dbraw/zinc/06/51/07/535065107.db2.gz QTCJHLKHICJLEP-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000128416830 535065111 /nfs/dbraw/zinc/06/51/11/535065111.db2.gz QTCJHLKHICJLEP-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP Cc1ncccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000608070618 348282478 /nfs/dbraw/zinc/28/24/78/348282478.db2.gz DTHUOBLWENXEMH-CQSZACIVSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cnccc1C)CCC2 ZINC000357796014 233007794 /nfs/dbraw/zinc/00/77/94/233007794.db2.gz OXXNUMDQAOXWEY-CABCVRRESA-N 2 2 284.407 3.123 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379022 192131902 /nfs/dbraw/zinc/13/19/02/192131902.db2.gz MPPQJFYZOCWRNX-ZBFHGGJFSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379022 192131903 /nfs/dbraw/zinc/13/19/03/192131903.db2.gz MPPQJFYZOCWRNX-ZBFHGGJFSA-N 2 2 299.418 3.477 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(C3CCC3)c[nH+]2)n1C ZINC000339572938 215249708 /nfs/dbraw/zinc/24/97/08/215249708.db2.gz UGXHCVZCZJIMTP-UHFFFAOYSA-N 2 2 256.353 3.003 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000624270336 350015664 /nfs/dbraw/zinc/01/56/64/350015664.db2.gz JLZMSWTYBRFFCD-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000624270336 350015666 /nfs/dbraw/zinc/01/56/66/350015666.db2.gz JLZMSWTYBRFFCD-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272632 350016176 /nfs/dbraw/zinc/01/61/76/350016176.db2.gz MXHBXHVEGYZNGH-WCQYABFASA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272632 350016179 /nfs/dbraw/zinc/01/61/79/350016179.db2.gz MXHBXHVEGYZNGH-WCQYABFASA-N 2 2 290.373 3.181 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000271217429 191006848 /nfs/dbraw/zinc/00/68/48/191006848.db2.gz XKRQRBHUCWLSCM-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000271217429 191006850 /nfs/dbraw/zinc/00/68/50/191006850.db2.gz XKRQRBHUCWLSCM-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000271217429 191006852 /nfs/dbraw/zinc/00/68/52/191006852.db2.gz XKRQRBHUCWLSCM-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000271217429 191006854 /nfs/dbraw/zinc/00/68/54/191006854.db2.gz XKRQRBHUCWLSCM-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP FC(F)C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359209628 233280158 /nfs/dbraw/zinc/28/01/58/233280158.db2.gz DCWKFLNDFUSECT-UHFFFAOYSA-N 2 2 282.378 3.143 20 0 CGADLP FC(F)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359209628 233280161 /nfs/dbraw/zinc/28/01/61/233280161.db2.gz DCWKFLNDFUSECT-UHFFFAOYSA-N 2 2 282.378 3.143 20 0 CGADLP Cc1cc(NCC[N@@H+](C)C2CC2)c2cccc(F)c2[nH+]1 ZINC000359485729 233322786 /nfs/dbraw/zinc/32/27/86/233322786.db2.gz GBJUZLZVWDYWQB-UHFFFAOYSA-N 2 2 273.355 3.188 20 0 CGADLP Cc1cc(NCC[N@H+](C)C2CC2)c2cccc(F)c2[nH+]1 ZINC000359485729 233322789 /nfs/dbraw/zinc/32/27/89/233322789.db2.gz GBJUZLZVWDYWQB-UHFFFAOYSA-N 2 2 273.355 3.188 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000626113647 350263209 /nfs/dbraw/zinc/26/32/09/350263209.db2.gz ACDMBHKVUMXMFJ-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCCC2(CC2)CC1 ZINC000626113647 350263210 /nfs/dbraw/zinc/26/32/10/350263210.db2.gz ACDMBHKVUMXMFJ-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000628190936 350433421 /nfs/dbraw/zinc/43/34/21/350433421.db2.gz VCDKRMNXQKQLTK-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000628190936 350433422 /nfs/dbraw/zinc/43/34/22/350433422.db2.gz VCDKRMNXQKQLTK-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000628156249 350415046 /nfs/dbraw/zinc/41/50/46/350415046.db2.gz IPJABMOOJMCXHL-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000628156249 350415048 /nfs/dbraw/zinc/41/50/48/350415048.db2.gz IPJABMOOJMCXHL-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000628156249 350415050 /nfs/dbraw/zinc/41/50/50/350415050.db2.gz IPJABMOOJMCXHL-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000628156249 350415051 /nfs/dbraw/zinc/41/50/51/350415051.db2.gz IPJABMOOJMCXHL-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000628233640 350454868 /nfs/dbraw/zinc/45/48/68/350454868.db2.gz NOWOASNMIULXNC-CVEARBPZSA-N 2 2 260.425 3.030 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000628233640 350454870 /nfs/dbraw/zinc/45/48/70/350454870.db2.gz NOWOASNMIULXNC-CVEARBPZSA-N 2 2 260.425 3.030 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCS1 ZINC000628209308 350440566 /nfs/dbraw/zinc/44/05/66/350440566.db2.gz YOCJFWLUOMJPDP-MRXNPFEDSA-N 2 2 287.432 3.248 20 0 CGADLP Cc1ncc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000628281004 350476281 /nfs/dbraw/zinc/47/62/81/350476281.db2.gz VANLJKWEXIAPIJ-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1ncc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000628281004 350476284 /nfs/dbraw/zinc/47/62/84/350476284.db2.gz VANLJKWEXIAPIJ-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000629526395 350702343 /nfs/dbraw/zinc/70/23/43/350702343.db2.gz SLSQKILGKTYQTM-GVDBMIGSSA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000629526252 350702350 /nfs/dbraw/zinc/70/23/50/350702350.db2.gz OAWUUZYVIZQVLR-SYEHKZFSSA-N 2 2 282.478 3.404 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000629526363 350702408 /nfs/dbraw/zinc/70/24/08/350702408.db2.gz RHZZDBZYWDRBJG-ARFHVFGLSA-N 2 2 258.409 3.139 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000629528085 350702911 /nfs/dbraw/zinc/70/29/11/350702911.db2.gz OXJAZPDKVFCBTK-CABNGKKXSA-N 2 2 264.438 3.417 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629535113 350705083 /nfs/dbraw/zinc/70/50/83/350705083.db2.gz BPXOKQGUFLPKPI-CTASWTNQSA-N 2 2 258.409 3.273 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC000629534660 350705099 /nfs/dbraw/zinc/70/50/99/350705099.db2.gz APIQEJHCRKPFCC-UONOGXRCSA-N 2 2 278.399 3.487 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000629540028 350706480 /nfs/dbraw/zinc/70/64/80/350706480.db2.gz PPXONHCQSCZDGL-OBJOEFQTSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C[NH2+]1 ZINC000629542166 350707572 /nfs/dbraw/zinc/70/75/72/350707572.db2.gz ZOSAHLJEPOKSPF-WDBKCZKBSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000629547245 350710153 /nfs/dbraw/zinc/71/01/53/350710153.db2.gz IDXVGMYFRZJUPX-VQISRLSMSA-N 2 2 264.800 3.131 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000629546664 350710245 /nfs/dbraw/zinc/71/02/45/350710245.db2.gz VWGBRGKQLNKECU-GDIGMMSISA-N 2 2 298.405 3.450 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000629390308 350687544 /nfs/dbraw/zinc/68/75/44/350687544.db2.gz NSEBZHWPQWHDPR-LSDHHAIUSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C[NH2+]1 ZINC000629397631 350689175 /nfs/dbraw/zinc/68/91/75/350689175.db2.gz YIOWTJZSPKSEJZ-GXTWGEPZSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000629406379 350689227 /nfs/dbraw/zinc/68/92/27/350689227.db2.gz MQKGFSCSLJAXFS-XHDPSFHLSA-N 2 2 290.407 3.394 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629402817 350689447 /nfs/dbraw/zinc/68/94/47/350689447.db2.gz FGVGSBDJYWJTIM-DLBZAZTESA-N 2 2 276.424 3.096 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1C(F)(F)F ZINC000629659470 350731957 /nfs/dbraw/zinc/73/19/57/350731957.db2.gz AKIZISPEONKVBI-WCQYABFASA-N 2 2 286.341 3.244 20 0 CGADLP Cc1cccn2c(C[NH2+][C@]34C[C@H]3CCCC4)c[nH+]c12 ZINC000631224561 350997340 /nfs/dbraw/zinc/99/73/40/350997340.db2.gz AORYEQLRXKPXFM-CZUORRHYSA-N 2 2 255.365 3.065 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631246928 351005302 /nfs/dbraw/zinc/00/53/02/351005302.db2.gz MEDDRRGBIWIUIP-INIZCTEOSA-N 2 2 269.392 3.155 20 0 CGADLP FC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000631284695 351015476 /nfs/dbraw/zinc/01/54/76/351015476.db2.gz RWWLFKWVRVLHML-JYJNAYRXSA-N 2 2 280.362 3.053 20 0 CGADLP FC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000631284695 351015479 /nfs/dbraw/zinc/01/54/79/351015479.db2.gz RWWLFKWVRVLHML-JYJNAYRXSA-N 2 2 280.362 3.053 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284978 351016525 /nfs/dbraw/zinc/01/65/25/351016525.db2.gz WFSKCFJOEBTADS-LSDHHAIUSA-N 2 2 282.378 3.299 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284978 351016527 /nfs/dbraw/zinc/01/65/27/351016527.db2.gz WFSKCFJOEBTADS-LSDHHAIUSA-N 2 2 282.378 3.299 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284975 351016594 /nfs/dbraw/zinc/01/65/94/351016594.db2.gz WFSKCFJOEBTADS-GJZGRUSLSA-N 2 2 282.378 3.299 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284975 351016597 /nfs/dbraw/zinc/01/65/97/351016597.db2.gz WFSKCFJOEBTADS-GJZGRUSLSA-N 2 2 282.378 3.299 20 0 CGADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631835949 351149638 /nfs/dbraw/zinc/14/96/38/351149638.db2.gz JIVUNKXBPCIIJI-CYBMUJFWSA-N 2 2 290.304 3.330 20 0 CGADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631835949 351149641 /nfs/dbraw/zinc/14/96/41/351149641.db2.gz JIVUNKXBPCIIJI-CYBMUJFWSA-N 2 2 290.304 3.330 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000631834220 351149874 /nfs/dbraw/zinc/14/98/74/351149874.db2.gz SFDKVZQVAQUKMW-INIZCTEOSA-N 2 2 287.382 3.077 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000631834220 351149876 /nfs/dbraw/zinc/14/98/76/351149876.db2.gz SFDKVZQVAQUKMW-INIZCTEOSA-N 2 2 287.382 3.077 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884559 351151779 /nfs/dbraw/zinc/15/17/79/351151779.db2.gz LEXJDEPYGGBNTR-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631884559 351151781 /nfs/dbraw/zinc/15/17/81/351151781.db2.gz LEXJDEPYGGBNTR-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887724 351152088 /nfs/dbraw/zinc/15/20/88/351152088.db2.gz QCRVBGLMIGEIDJ-WBVHZDCISA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887724 351152092 /nfs/dbraw/zinc/15/20/92/351152092.db2.gz QCRVBGLMIGEIDJ-WBVHZDCISA-N 2 2 288.435 3.048 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887279 351152169 /nfs/dbraw/zinc/15/21/69/351152169.db2.gz QCENPBSKWVUVEY-SWLSCSKDSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887279 351152173 /nfs/dbraw/zinc/15/21/73/351152173.db2.gz QCENPBSKWVUVEY-SWLSCSKDSA-N 2 2 298.352 3.279 20 0 CGADLP FC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000631795889 351143505 /nfs/dbraw/zinc/14/35/05/351143505.db2.gz OTEZLZLKVCXWAY-QGZVFWFLSA-N 2 2 294.389 3.300 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000634680669 351566787 /nfs/dbraw/zinc/56/67/87/351566787.db2.gz YNHREEMAHASCKX-ZBFHGGJFSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634985057 351617659 /nfs/dbraw/zinc/61/76/59/351617659.db2.gz KCLWMSYOSNJDAX-UHFFFAOYSA-N 2 2 293.386 3.034 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634985057 351617661 /nfs/dbraw/zinc/61/76/61/351617661.db2.gz KCLWMSYOSNJDAX-UHFFFAOYSA-N 2 2 293.386 3.034 20 0 CGADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000634996616 351620255 /nfs/dbraw/zinc/62/02/55/351620255.db2.gz PJPKIWONXFGOJM-FZBQFSLMSA-N 2 2 270.420 3.007 20 0 CGADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000634996616 351620258 /nfs/dbraw/zinc/62/02/58/351620258.db2.gz PJPKIWONXFGOJM-FZBQFSLMSA-N 2 2 270.420 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000291588745 198044573 /nfs/dbraw/zinc/04/45/73/198044573.db2.gz POOQRBNWDHDIJG-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000291588745 198044574 /nfs/dbraw/zinc/04/45/74/198044574.db2.gz POOQRBNWDHDIJG-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000635866377 351698973 /nfs/dbraw/zinc/69/89/73/351698973.db2.gz FAWPTYBPLXQBOS-CYBMUJFWSA-N 2 2 299.374 3.071 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336497328 213371214 /nfs/dbraw/zinc/37/12/14/213371214.db2.gz SOEKMEBUVLQSIE-HOTGVXAUSA-N 2 2 283.419 3.474 20 0 CGADLP COCC[C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339862210 215370936 /nfs/dbraw/zinc/37/09/36/215370936.db2.gz MAJHASMYHWNKTB-QGZVFWFLSA-N 2 2 299.418 3.367 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000122859931 187055798 /nfs/dbraw/zinc/05/57/98/187055798.db2.gz NQSQWEMSXOQIMK-WBVHZDCISA-N 2 2 269.392 3.009 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000122859931 187055799 /nfs/dbraw/zinc/05/57/99/187055799.db2.gz NQSQWEMSXOQIMK-WBVHZDCISA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994253 187064787 /nfs/dbraw/zinc/06/47/87/187064787.db2.gz LZXOXWWJMVTJAA-TYNCELHUSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994253 187064788 /nfs/dbraw/zinc/06/47/88/187064788.db2.gz LZXOXWWJMVTJAA-TYNCELHUSA-N 2 2 262.372 3.102 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccco1)CCC2 ZINC000366212775 234155555 /nfs/dbraw/zinc/15/55/55/234155555.db2.gz WRKBYOLDRGWWLV-OLZOCXBDSA-N 2 2 259.353 3.013 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)c[nH+]1 ZINC000367307780 234204037 /nfs/dbraw/zinc/20/40/37/234204037.db2.gz LDNKHLQKXALUJO-INIZCTEOSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)c[nH+]1 ZINC000367307780 234204041 /nfs/dbraw/zinc/20/40/41/234204041.db2.gz LDNKHLQKXALUJO-INIZCTEOSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4occc4c3)C2)c[nH+]1 ZINC000367307781 234204993 /nfs/dbraw/zinc/20/49/93/234204993.db2.gz LDNKHLQKXALUJO-MRXNPFEDSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc4occc4c3)C2)c[nH+]1 ZINC000367307781 234204996 /nfs/dbraw/zinc/20/49/96/234204996.db2.gz LDNKHLQKXALUJO-MRXNPFEDSA-N 2 2 281.359 3.466 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000367368873 234209705 /nfs/dbraw/zinc/20/97/05/234209705.db2.gz XUMUQNBDVZJDIR-WBVHZDCISA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000367368873 234209706 /nfs/dbraw/zinc/20/97/06/234209706.db2.gz XUMUQNBDVZJDIR-WBVHZDCISA-N 2 2 299.418 3.156 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000367632535 234235683 /nfs/dbraw/zinc/23/56/83/234235683.db2.gz GMKSKXUNDVYUDW-QQFBHYJXSA-N 2 2 273.424 3.058 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC000367997127 234267447 /nfs/dbraw/zinc/26/74/47/234267447.db2.gz PNTRJMMGLNRHSZ-GDBMZVCRSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000367997127 234267451 /nfs/dbraw/zinc/26/74/51/234267451.db2.gz PNTRJMMGLNRHSZ-GDBMZVCRSA-N 2 2 281.403 3.324 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c[nH+]c12 ZINC000368131020 234285637 /nfs/dbraw/zinc/28/56/37/234285637.db2.gz ILOCALFKEGAOMT-RCCFBDPRSA-N 2 2 289.382 3.071 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnccc2C)[nH+]1 ZINC000368568762 234321609 /nfs/dbraw/zinc/32/16/09/234321609.db2.gz HQSWLPKEHPPBDV-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnccc2C)[nH+]1 ZINC000368568762 234321613 /nfs/dbraw/zinc/32/16/13/234321613.db2.gz HQSWLPKEHPPBDV-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000155646710 188219427 /nfs/dbraw/zinc/21/94/27/188219427.db2.gz NGXZXSGCURMBQS-GFCCVEGCSA-N 2 2 295.333 3.144 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@@H+]1C1CC1 ZINC000156352531 188257558 /nfs/dbraw/zinc/25/75/58/188257558.db2.gz QHLMSCWAVPDMBZ-ZBFHGGJFSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@H+]1C1CC1 ZINC000156352531 188257560 /nfs/dbraw/zinc/25/75/60/188257560.db2.gz QHLMSCWAVPDMBZ-ZBFHGGJFSA-N 2 2 297.446 3.315 20 0 CGADLP Fc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157355751 188311472 /nfs/dbraw/zinc/31/14/72/188311472.db2.gz MMEVHZCPOXTKIS-KRWDZBQOSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157355751 188311473 /nfs/dbraw/zinc/31/14/73/188311473.db2.gz MMEVHZCPOXTKIS-KRWDZBQOSA-N 2 2 276.399 3.276 20 0 CGADLP Cc1nc2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2s1 ZINC000336415979 213274434 /nfs/dbraw/zinc/27/44/34/213274434.db2.gz BAIJBIHWCJVPKN-UHFFFAOYSA-N 2 2 289.448 3.131 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000420292296 283004566 /nfs/dbraw/zinc/00/45/66/283004566.db2.gz PCYAQIQLTKSLPO-HLLBOEOZSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000420292296 283004572 /nfs/dbraw/zinc/00/45/72/283004572.db2.gz PCYAQIQLTKSLPO-HLLBOEOZSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc(C2=CC[C@@H]([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000272515027 191762988 /nfs/dbraw/zinc/76/29/88/191762988.db2.gz XZTNBHWMMBCDOQ-QGZVFWFLSA-N 2 2 285.366 3.248 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000414126323 235341936 /nfs/dbraw/zinc/34/19/36/235341936.db2.gz OFHXMKGNNONGNK-SFHVURJKSA-N 2 2 283.419 3.484 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414215017 235365802 /nfs/dbraw/zinc/36/58/02/235365802.db2.gz WSAJGQJIMCHYTO-KSSFIOAISA-N 2 2 268.404 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414215017 235365803 /nfs/dbraw/zinc/36/58/03/235365803.db2.gz WSAJGQJIMCHYTO-KSSFIOAISA-N 2 2 268.404 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)C[N@@H+]1C1CC1 ZINC000231632417 291082944 /nfs/dbraw/zinc/08/29/44/291082944.db2.gz IPKRNBPIQKLYFD-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)C[N@H+]1C1CC1 ZINC000231632417 291082945 /nfs/dbraw/zinc/08/29/45/291082945.db2.gz IPKRNBPIQKLYFD-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@@H+]1C1CC1 ZINC000188028762 291084659 /nfs/dbraw/zinc/08/46/59/291084659.db2.gz HOLWARICXBOIDU-CBBWQLFWSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@H+]1C1CC1 ZINC000188028762 291084662 /nfs/dbraw/zinc/08/46/62/291084662.db2.gz HOLWARICXBOIDU-CBBWQLFWSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336345357 213194042 /nfs/dbraw/zinc/19/40/42/213194042.db2.gz GOIHOYNDBBQLGD-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336345357 213194043 /nfs/dbraw/zinc/19/40/43/213194043.db2.gz GOIHOYNDBBQLGD-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000129920997 138398599 /nfs/dbraw/zinc/39/85/99/138398599.db2.gz QXQWZPXZODDJMO-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000129920997 138398600 /nfs/dbraw/zinc/39/86/00/138398600.db2.gz QXQWZPXZODDJMO-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP Fc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423234875 236004073 /nfs/dbraw/zinc/00/40/73/236004073.db2.gz MJWRIYQRAOXYFL-OALUTQOASA-N 2 2 298.405 3.451 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423235170 236004225 /nfs/dbraw/zinc/00/42/25/236004225.db2.gz MVJBUCIRINYMFD-JQWIXIFHSA-N 2 2 281.469 3.152 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423238781 236005650 /nfs/dbraw/zinc/00/56/50/236005650.db2.gz JITGMGYUIYVBME-YOEHRIQHSA-N 2 2 278.440 3.215 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)c1ccccc1 ZINC000423239965 236006201 /nfs/dbraw/zinc/00/62/01/236006201.db2.gz BYFWEAFGTOLSPS-IAGOWNOFSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000423244770 236007583 /nfs/dbraw/zinc/00/75/83/236007583.db2.gz NYZZARFRJUANKS-DLBZAZTESA-N 2 2 270.351 3.103 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000423290167 236026277 /nfs/dbraw/zinc/02/62/77/236026277.db2.gz ZHSGVNZSYWMVAN-ZDUSSCGKSA-N 2 2 285.391 3.262 20 0 CGADLP Clc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423299443 236029687 /nfs/dbraw/zinc/02/96/87/236029687.db2.gz BQLDTJDIDYRTRP-QGZVFWFLSA-N 2 2 286.806 3.238 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc2cc1C ZINC000423312104 236034974 /nfs/dbraw/zinc/03/49/74/236034974.db2.gz CSULTYDATTZVGQ-SWLSCSKDSA-N 2 2 272.392 3.438 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423332722 236042039 /nfs/dbraw/zinc/04/20/39/236042039.db2.gz QXNQBRAOIGNSHT-NSHDSACASA-N 2 2 284.350 3.128 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H](C)C[NH3+])c2cccc(F)c2)c1 ZINC000423385695 236059144 /nfs/dbraw/zinc/05/91/44/236059144.db2.gz GXJHQZOCNNJPNC-GUYCJALGSA-N 2 2 272.367 3.160 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217502719 138492733 /nfs/dbraw/zinc/49/27/33/138492733.db2.gz DPTASWIEPZBHAY-KGLIPLIRSA-N 2 2 252.789 3.214 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217502719 138492734 /nfs/dbraw/zinc/49/27/34/138492734.db2.gz DPTASWIEPZBHAY-KGLIPLIRSA-N 2 2 252.789 3.214 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1F ZINC000423525577 236091891 /nfs/dbraw/zinc/09/18/91/236091891.db2.gz KLSZAFMSASEABX-BONVTDFDSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423571581 236098826 /nfs/dbraw/zinc/09/88/26/236098826.db2.gz XULKFJCRYGJROA-RYUDHWBXSA-N 2 2 284.350 3.081 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000424329887 236151530 /nfs/dbraw/zinc/15/15/30/236151530.db2.gz HBHYRHZVERYQFS-CHWSQXEVSA-N 2 2 273.207 3.353 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CCC2)cc1 ZINC000427719312 236343820 /nfs/dbraw/zinc/34/38/20/236343820.db2.gz PCXXSGOIINANCQ-RHSMWYFYSA-N 2 2 260.425 3.376 20 0 CGADLP C(=C/Cn1c[nH+]c2c1CCCC2)\Cn1c[nH+]c2c1CCCC2 ZINC000296797473 199999437 /nfs/dbraw/zinc/99/94/37/199999437.db2.gz QVHRJSCQDNBCJX-AATRIKPKSA-N 2 2 296.418 3.094 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)cc1 ZINC000437090676 237246425 /nfs/dbraw/zinc/24/64/25/237246425.db2.gz XEOVHHMPWSRWRN-SFHVURJKSA-N 2 2 286.463 3.390 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCC1 ZINC000437079527 237246696 /nfs/dbraw/zinc/24/66/96/237246696.db2.gz SYPKSUOPYCAEEQ-KRWDZBQOSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC000437782816 237347184 /nfs/dbraw/zinc/34/71/84/237347184.db2.gz HDVYFIJRBSPOHT-PVAVHDDUSA-N 2 2 260.425 3.037 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297405382 200178614 /nfs/dbraw/zinc/17/86/14/200178614.db2.gz CMOBBOGXCCQYLZ-IRXDYDNUSA-N 2 2 269.392 3.151 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297405382 200178616 /nfs/dbraw/zinc/17/86/16/200178616.db2.gz CMOBBOGXCCQYLZ-IRXDYDNUSA-N 2 2 269.392 3.151 20 0 CGADLP COC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000297480542 200205500 /nfs/dbraw/zinc/20/55/00/200205500.db2.gz ZFKIIWJSTCYLMP-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177194096 189035577 /nfs/dbraw/zinc/03/55/77/189035577.db2.gz JCRSLWACHQYTJP-MRXNPFEDSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177194096 189035578 /nfs/dbraw/zinc/03/55/78/189035578.db2.gz JCRSLWACHQYTJP-MRXNPFEDSA-N 2 2 284.407 3.278 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000178343483 189108801 /nfs/dbraw/zinc/10/88/01/189108801.db2.gz PZWBNUZFONJOAA-NSHDSACASA-N 2 2 290.436 3.308 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423448951 296022637 /nfs/dbraw/zinc/02/26/37/296022637.db2.gz QXZADXBBUSIYLD-HLTSFMKQSA-N 2 2 261.196 3.380 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357777 189188336 /nfs/dbraw/zinc/18/83/36/189188336.db2.gz LBFJOIOYCYUWIG-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357777 189188337 /nfs/dbraw/zinc/18/83/37/189188337.db2.gz LBFJOIOYCYUWIG-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357777 189188338 /nfs/dbraw/zinc/18/83/38/189188338.db2.gz LBFJOIOYCYUWIG-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357777 189188339 /nfs/dbraw/zinc/18/83/39/189188339.db2.gz LBFJOIOYCYUWIG-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000179667005 189211807 /nfs/dbraw/zinc/21/18/07/189211807.db2.gz PRPCIFPKSCQPSY-AWEZNQCLSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000301520812 201043651 /nfs/dbraw/zinc/04/36/51/201043651.db2.gz NFKGJBONZZWCIF-NEPJUHHUSA-N 2 2 267.804 3.267 20 0 CGADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000301520812 201043654 /nfs/dbraw/zinc/04/36/54/201043654.db2.gz NFKGJBONZZWCIF-NEPJUHHUSA-N 2 2 267.804 3.267 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000301567924 201074407 /nfs/dbraw/zinc/07/44/07/201074407.db2.gz WVWIOGCLQKXIOT-WBVHZDCISA-N 2 2 296.418 3.250 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000301567924 201074411 /nfs/dbraw/zinc/07/44/11/201074411.db2.gz WVWIOGCLQKXIOT-WBVHZDCISA-N 2 2 296.418 3.250 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NCCC[NH+]2CCCCC2)c1 ZINC000301579758 201080419 /nfs/dbraw/zinc/08/04/19/201080419.db2.gz NGCPPPMELURFAR-UHFFFAOYSA-N 2 2 287.329 3.388 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182799391 189335215 /nfs/dbraw/zinc/33/52/15/189335215.db2.gz VTPQPVFCZZEAQA-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182799391 189335216 /nfs/dbraw/zinc/33/52/16/189335216.db2.gz VTPQPVFCZZEAQA-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000301658762 201121567 /nfs/dbraw/zinc/12/15/67/201121567.db2.gz WJYGEJUEIFJRTK-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183181171 189349051 /nfs/dbraw/zinc/34/90/51/189349051.db2.gz WUIFYGWXTLSJKE-ZDUSSCGKSA-N 2 2 292.452 3.294 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183181171 189349052 /nfs/dbraw/zinc/34/90/52/189349052.db2.gz WUIFYGWXTLSJKE-ZDUSSCGKSA-N 2 2 292.452 3.294 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184261609 189381265 /nfs/dbraw/zinc/38/12/65/189381265.db2.gz XSGXAAREHRMGCX-AWEZNQCLSA-N 2 2 294.402 3.399 20 0 CGADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000301857344 201235227 /nfs/dbraw/zinc/23/52/27/201235227.db2.gz DKSUYAWJDORVBO-OAHLLOKOSA-N 2 2 294.402 3.148 20 0 CGADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]c2ccc(Cl)cc21 ZINC000301939163 201271056 /nfs/dbraw/zinc/27/10/56/201271056.db2.gz SVUKZPDTBIAEQK-UHFFFAOYSA-N 2 2 286.766 3.258 20 0 CGADLP CCc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC000302102901 201341482 /nfs/dbraw/zinc/34/14/82/201341482.db2.gz QOMRMWDZDPXMGW-INIZCTEOSA-N 2 2 288.439 3.024 20 0 CGADLP CCc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC000302102901 201341484 /nfs/dbraw/zinc/34/14/84/201341484.db2.gz QOMRMWDZDPXMGW-INIZCTEOSA-N 2 2 288.439 3.024 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449170682 239220402 /nfs/dbraw/zinc/22/04/02/239220402.db2.gz IZFDMWRCQTZUGC-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449170682 239220406 /nfs/dbraw/zinc/22/04/06/239220406.db2.gz IZFDMWRCQTZUGC-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000449218456 239250723 /nfs/dbraw/zinc/25/07/23/239250723.db2.gz IJJVDFQNSUEVHI-ZDUSSCGKSA-N 2 2 298.352 3.167 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3ccoc32)CCC[N@@H+]1C ZINC000449236688 239261771 /nfs/dbraw/zinc/26/17/71/239261771.db2.gz YWQRJPSQUUPIOZ-DOMZBBRYSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3ccoc32)CCC[N@H+]1C ZINC000449236688 239261773 /nfs/dbraw/zinc/26/17/73/239261773.db2.gz YWQRJPSQUUPIOZ-DOMZBBRYSA-N 2 2 258.365 3.005 20 0 CGADLP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000451297868 240268837 /nfs/dbraw/zinc/26/88/37/240268837.db2.gz OQFGMZSMKRWXJF-STQMWFEESA-N 2 2 289.345 3.374 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CF)CC1 ZINC000451393737 240292071 /nfs/dbraw/zinc/29/20/71/240292071.db2.gz NIAICUPTMQNIKF-UHFFFAOYSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000451978465 240390716 /nfs/dbraw/zinc/39/07/16/240390716.db2.gz BDXNBSUFEYEUNJ-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000451978465 240390721 /nfs/dbraw/zinc/39/07/21/240390721.db2.gz BDXNBSUFEYEUNJ-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP CC[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000275493730 193058189 /nfs/dbraw/zinc/05/81/89/193058189.db2.gz LKWAPDNIGQOQDK-UHFFFAOYSA-N 2 2 285.391 3.140 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cs1 ZINC000453091600 240695861 /nfs/dbraw/zinc/69/58/61/240695861.db2.gz RPNKJFQJCNQQFB-CYBMUJFWSA-N 2 2 289.448 3.483 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706283 193109787 /nfs/dbraw/zinc/10/97/87/193109787.db2.gz RECGXIQGDRUHAT-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706283 193109789 /nfs/dbraw/zinc/10/97/89/193109789.db2.gz RECGXIQGDRUHAT-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706283 193109791 /nfs/dbraw/zinc/10/97/91/193109791.db2.gz RECGXIQGDRUHAT-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706283 193109793 /nfs/dbraw/zinc/10/97/93/193109793.db2.gz RECGXIQGDRUHAT-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000121112180 370830949 /nfs/dbraw/zinc/83/09/49/370830949.db2.gz GWMBKHASOFNHBC-TZMCWYRMSA-N 2 2 279.428 3.151 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000121112180 370830953 /nfs/dbraw/zinc/83/09/53/370830953.db2.gz GWMBKHASOFNHBC-TZMCWYRMSA-N 2 2 279.428 3.151 20 0 CGADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)n1 ZINC000459422883 242103173 /nfs/dbraw/zinc/10/31/73/242103173.db2.gz OKUCMKXRUKAFOB-HNNXBMFYSA-N 2 2 291.464 3.119 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459442345 242110655 /nfs/dbraw/zinc/11/06/55/242110655.db2.gz JFILHLCJIYZMKA-UHFFFAOYSA-N 2 2 296.499 3.290 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC(C4CCCC4)C3)cc2)c[nH+]1 ZINC000459607409 242144294 /nfs/dbraw/zinc/14/42/94/242144294.db2.gz GPRDWWAMAXSCEB-UHFFFAOYSA-N 2 2 281.403 3.494 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc2c(s1)CCC2 ZINC000459633774 242155711 /nfs/dbraw/zinc/15/57/11/242155711.db2.gz LSCJPUMYKWARDK-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc2c(s1)CCC2 ZINC000459633774 242155715 /nfs/dbraw/zinc/15/57/15/242155715.db2.gz LSCJPUMYKWARDK-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000459658223 242167115 /nfs/dbraw/zinc/16/71/15/242167115.db2.gz JCXPHAMZZYXLMV-UHFFFAOYSA-N 2 2 290.219 3.121 20 0 CGADLP CCCC1CCC(C[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000459660351 242167345 /nfs/dbraw/zinc/16/73/45/242167345.db2.gz LCFCQVBTILIJMW-UHFFFAOYSA-N 2 2 263.429 3.159 20 0 CGADLP COc1cccc2c1C[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C2 ZINC000459696957 242186737 /nfs/dbraw/zinc/18/67/37/242186737.db2.gz KJIDZPRQNUULRO-KRWDZBQOSA-N 2 2 296.414 3.088 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000462689851 242357378 /nfs/dbraw/zinc/35/73/78/242357378.db2.gz WLNYSHFHYRKAES-FHERZECASA-N 2 2 252.446 3.277 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000462689851 242357382 /nfs/dbraw/zinc/35/73/82/242357382.db2.gz WLNYSHFHYRKAES-FHERZECASA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000480272313 243143319 /nfs/dbraw/zinc/14/33/19/243143319.db2.gz COKXNRRQEACVOJ-WBVHZDCISA-N 2 2 260.425 3.458 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c2ccccc12 ZINC000482510772 243229702 /nfs/dbraw/zinc/22/97/02/243229702.db2.gz MRSKFXUHSKSCQF-KGLIPLIRSA-N 2 2 286.419 3.449 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCCC1 ZINC000475196369 296129273 /nfs/dbraw/zinc/12/92/73/296129273.db2.gz QBOVWAZNTVSRDD-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCCC1 ZINC000475196369 296129275 /nfs/dbraw/zinc/12/92/75/296129275.db2.gz QBOVWAZNTVSRDD-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000019942930 368787678 /nfs/dbraw/zinc/78/76/78/368787678.db2.gz RPSKUXITYVHYJB-LBPRGKRZSA-N 2 2 270.367 3.347 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000019959431 368790839 /nfs/dbraw/zinc/79/08/39/368790839.db2.gz JLYXHBXRQSWXGF-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000019959431 368790843 /nfs/dbraw/zinc/79/08/43/368790843.db2.gz JLYXHBXRQSWXGF-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000036843336 369032896 /nfs/dbraw/zinc/03/28/96/369032896.db2.gz JTBXROPPEIZLRU-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932129 369040175 /nfs/dbraw/zinc/04/01/75/369040175.db2.gz WLMUPYWSSHPSNH-KBPBESRZSA-N 2 2 261.413 3.075 20 0 CGADLP Fc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034991964 368986986 /nfs/dbraw/zinc/98/69/86/368986986.db2.gz LVECPCVXNCEDRR-UHFFFAOYSA-N 2 2 281.334 3.301 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000037157243 369072230 /nfs/dbraw/zinc/07/22/30/369072230.db2.gz PROXLQBORMMRRY-RYUDHWBXSA-N 2 2 263.772 3.276 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157410 369072882 /nfs/dbraw/zinc/07/28/82/369072882.db2.gz VFZRNZYKVLISBQ-QWHCGFSZSA-N 2 2 275.421 3.344 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000020096482 296132321 /nfs/dbraw/zinc/13/23/21/296132321.db2.gz UBHTYDOOFJMINN-RHSMWYFYSA-N 2 2 258.409 3.212 20 0 CGADLP CC(C)(C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040492792 369156143 /nfs/dbraw/zinc/15/61/43/369156143.db2.gz RSHKTPGLGZLSIN-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040492792 369156148 /nfs/dbraw/zinc/15/61/48/369156148.db2.gz RSHKTPGLGZLSIN-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccccc1OC ZINC000040502765 369157965 /nfs/dbraw/zinc/15/79/65/369157965.db2.gz SSPDSVHCRBHIKB-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccccc1OC ZINC000040502765 369157968 /nfs/dbraw/zinc/15/79/68/369157968.db2.gz SSPDSVHCRBHIKB-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119412 369174243 /nfs/dbraw/zinc/17/42/43/369174243.db2.gz VVUVZPKEOOWIGQ-HNNXBMFYSA-N 2 2 287.407 3.269 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000041118883 369174371 /nfs/dbraw/zinc/17/43/71/369174371.db2.gz GMTTZNSKKKHKJW-NSHDSACASA-N 2 2 299.296 3.133 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119053 369174604 /nfs/dbraw/zinc/17/46/04/369174604.db2.gz NLXIZHONJQCNBT-AWEZNQCLSA-N 2 2 273.380 3.021 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCc3ccsc3)cc2)c[nH+]1 ZINC000042374086 369218720 /nfs/dbraw/zinc/21/87/20/369218720.db2.gz UMKSSOAIJZURBO-UHFFFAOYSA-N 2 2 283.400 3.266 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685222 369268047 /nfs/dbraw/zinc/26/80/47/369268047.db2.gz HEVHDXNYOZULMU-OCCSQVGLSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685222 369268051 /nfs/dbraw/zinc/26/80/51/369268051.db2.gz HEVHDXNYOZULMU-OCCSQVGLSA-N 2 2 276.449 3.296 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3ccccc3c1)CC2 ZINC000494391129 244286131 /nfs/dbraw/zinc/28/61/31/244286131.db2.gz JDYCJVXLPFLPQZ-KRWDZBQOSA-N 2 2 277.371 3.141 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000494438691 244289378 /nfs/dbraw/zinc/28/93/78/244289378.db2.gz XJJLKADORPOBFE-ZDUSSCGKSA-N 2 2 283.400 3.202 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Cl ZINC000045662741 369283894 /nfs/dbraw/zinc/28/38/94/369283894.db2.gz JLNBUVNLVIOHPP-GFCCVEGCSA-N 2 2 254.805 3.332 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]1C ZINC000494905390 244330116 /nfs/dbraw/zinc/33/01/16/244330116.db2.gz DRCWASMNRYPWLA-LALPHHSUSA-N 2 2 257.381 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000494926177 244330755 /nfs/dbraw/zinc/33/07/55/244330755.db2.gz ZSXWRYQTLDTIBO-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CCCC1 ZINC000048436716 369351720 /nfs/dbraw/zinc/35/17/20/369351720.db2.gz AARCRMYLOMSQIP-UHFFFAOYSA-N 2 2 257.381 3.267 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000049509003 369405607 /nfs/dbraw/zinc/40/56/07/369405607.db2.gz DMFMAMOUVCZTJV-NSHDSACASA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC000422757690 296145117 /nfs/dbraw/zinc/14/51/17/296145117.db2.gz IUCJBJMWNOZWQF-DTWKUNHWSA-N 2 2 273.207 3.252 20 0 CGADLP CC(C)(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000061839184 369608754 /nfs/dbraw/zinc/60/87/54/369608754.db2.gz FRQOFMRVIGMHAR-UHFFFAOYSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194752 369643696 /nfs/dbraw/zinc/64/36/96/369643696.db2.gz YMOMMZSDZZQNLK-LRDDRELGSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194752 369643703 /nfs/dbraw/zinc/64/37/03/369643703.db2.gz YMOMMZSDZZQNLK-LRDDRELGSA-N 2 2 287.382 3.076 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000276513424 193362976 /nfs/dbraw/zinc/36/29/76/193362976.db2.gz ZVLFJDZLIOPETM-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000276513424 193362977 /nfs/dbraw/zinc/36/29/77/193362977.db2.gz ZVLFJDZLIOPETM-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074710 369779631 /nfs/dbraw/zinc/77/96/31/369779631.db2.gz ADQKLSVADHUSFK-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074710 369779635 /nfs/dbraw/zinc/77/96/35/369779635.db2.gz ADQKLSVADHUSFK-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000070148459 369781619 /nfs/dbraw/zinc/78/16/19/369781619.db2.gz JAXNJJFQFAAUBO-LLVKDONJSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000070148459 369781621 /nfs/dbraw/zinc/78/16/21/369781621.db2.gz JAXNJJFQFAAUBO-LLVKDONJSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000090721864 370067292 /nfs/dbraw/zinc/06/72/92/370067292.db2.gz VXXUTXZUCSZDFK-GHMZBOCLSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000090721864 370067297 /nfs/dbraw/zinc/06/72/97/370067297.db2.gz VXXUTXZUCSZDFK-GHMZBOCLSA-N 2 2 270.779 3.051 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043607 370090500 /nfs/dbraw/zinc/09/05/00/370090500.db2.gz BRLLDVLWYHICGJ-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043607 370090503 /nfs/dbraw/zinc/09/05/03/370090503.db2.gz BRLLDVLWYHICGJ-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043607 370090505 /nfs/dbraw/zinc/09/05/05/370090505.db2.gz BRLLDVLWYHICGJ-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043607 370090508 /nfs/dbraw/zinc/09/05/08/370090508.db2.gz BRLLDVLWYHICGJ-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP CCC[NH+](CCC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096969519 370214186 /nfs/dbraw/zinc/21/41/86/370214186.db2.gz VDNPLJJUCOOHLO-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096970252 370214327 /nfs/dbraw/zinc/21/43/27/370214327.db2.gz SFWCMEFYRDCXPJ-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096970252 370214330 /nfs/dbraw/zinc/21/43/30/370214330.db2.gz SFWCMEFYRDCXPJ-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP c1c(CNc2cc[nH+]c3ccccc23)[nH+]c2ccccn12 ZINC000110114392 370370359 /nfs/dbraw/zinc/37/03/59/370370359.db2.gz VRIUQKJTYQAOLH-UHFFFAOYSA-N 2 2 274.327 3.495 20 0 CGADLP CCCC[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000110226039 370373792 /nfs/dbraw/zinc/37/37/92/370373792.db2.gz CWVJXJTYTCNEOU-UHFFFAOYSA-N 2 2 276.428 3.276 20 0 CGADLP Cc1ccc(C)c(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111244494 370394635 /nfs/dbraw/zinc/39/46/35/370394635.db2.gz BUHGLWCPZKDMHO-UHFFFAOYSA-N 2 2 299.418 3.216 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000118447205 370617082 /nfs/dbraw/zinc/61/70/82/370617082.db2.gz RYRPAUKAJWEBCK-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)[C@H]1CCC[NH2+]1 ZINC000423024022 296162971 /nfs/dbraw/zinc/16/29/71/296162971.db2.gz IKGWJXVNUHWYSH-DFBGVHRSSA-N 2 2 294.826 3.284 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000130696147 371053574 /nfs/dbraw/zinc/05/35/74/371053574.db2.gz FZXQWXRQLQAZIA-UHFFFAOYSA-N 2 2 283.297 3.034 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000130696147 371053579 /nfs/dbraw/zinc/05/35/79/371053579.db2.gz FZXQWXRQLQAZIA-UHFFFAOYSA-N 2 2 283.297 3.034 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000130884014 371066987 /nfs/dbraw/zinc/06/69/87/371066987.db2.gz LPRYLMVNSTZRLM-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000130884014 371066989 /nfs/dbraw/zinc/06/69/89/371066989.db2.gz LPRYLMVNSTZRLM-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131088843 371082280 /nfs/dbraw/zinc/08/22/80/371082280.db2.gz FNEDTSLSHLDIOI-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C[N@@H+]1C1CC1 ZINC000131236911 371092681 /nfs/dbraw/zinc/09/26/81/371092681.db2.gz XBQZUFYPVARFIM-CHWSQXEVSA-N 2 2 278.465 3.241 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C[N@H+]1C1CC1 ZINC000131236911 371092685 /nfs/dbraw/zinc/09/26/85/371092685.db2.gz XBQZUFYPVARFIM-CHWSQXEVSA-N 2 2 278.465 3.241 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](C)C2)n1-c1ccccc1 ZINC000135286205 371410330 /nfs/dbraw/zinc/41/03/30/371410330.db2.gz DLHMSLMWKBTKMP-ZFWWWQNUSA-N 2 2 269.392 3.459 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000151550209 371611539 /nfs/dbraw/zinc/61/15/39/371611539.db2.gz XPRXZQHXZWWERV-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805390 371636335 /nfs/dbraw/zinc/63/63/35/371636335.db2.gz FXNSRCKHSSOOGK-PVXIVEMSSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805390 371636340 /nfs/dbraw/zinc/63/63/40/371636340.db2.gz FXNSRCKHSSOOGK-PVXIVEMSSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1Cl ZINC000421819093 371642512 /nfs/dbraw/zinc/64/25/12/371642512.db2.gz FBHWCTOQCNPLTO-LBPRGKRZSA-N 2 2 293.842 3.260 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000421823238 371645777 /nfs/dbraw/zinc/64/57/77/371645777.db2.gz YYJUMEDDQKRECT-RYUDHWBXSA-N 2 2 293.798 3.284 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2SC)[C@H](C)C1 ZINC000287590975 371679228 /nfs/dbraw/zinc/67/92/28/371679228.db2.gz RNIBUQRNOCHXQV-IUODEOHRSA-N 2 2 296.455 3.368 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2SC)[C@H](C)C1 ZINC000287590975 371679238 /nfs/dbraw/zinc/67/92/38/371679238.db2.gz RNIBUQRNOCHXQV-IUODEOHRSA-N 2 2 296.455 3.368 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564290 371753044 /nfs/dbraw/zinc/75/30/44/371753044.db2.gz VPHLIPALQRHDHP-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422748664 371782200 /nfs/dbraw/zinc/78/22/00/371782200.db2.gz VNOSCUVYJMLSKN-ZFWWWQNUSA-N 2 2 272.392 3.361 20 0 CGADLP Fc1ccc(C2=CC[C@@H]([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000353349195 220039460 /nfs/dbraw/zinc/03/94/60/220039460.db2.gz QUQYZPKRLQATSM-GOSISDBHSA-N 2 2 288.410 3.447 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccsc1 ZINC000289690588 371794457 /nfs/dbraw/zinc/79/44/57/371794457.db2.gz FMPBDZWUIPEDRP-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccsc1 ZINC000289690588 371794465 /nfs/dbraw/zinc/79/44/65/371794465.db2.gz FMPBDZWUIPEDRP-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccsc1)Cc1ccco1 ZINC000289690588 371794472 /nfs/dbraw/zinc/79/44/72/371794472.db2.gz FMPBDZWUIPEDRP-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccsc1)Cc1ccco1 ZINC000289690588 371794479 /nfs/dbraw/zinc/79/44/79/371794479.db2.gz FMPBDZWUIPEDRP-UHFFFAOYSA-N 2 2 278.421 3.295 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153958816 371802916 /nfs/dbraw/zinc/80/29/16/371802916.db2.gz BDBOWSDMZKPIRY-CVEARBPZSA-N 2 2 290.451 3.275 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422811388 371824289 /nfs/dbraw/zinc/82/42/89/371824289.db2.gz UQDCBNZNYGJRDP-MOPGFXCFSA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000289963831 371863048 /nfs/dbraw/zinc/86/30/48/371863048.db2.gz ITSOZRPNTSDYIN-VQIMIIECSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000289963831 371863055 /nfs/dbraw/zinc/86/30/55/371863055.db2.gz ITSOZRPNTSDYIN-VQIMIIECSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000422915915 371868492 /nfs/dbraw/zinc/86/84/92/371868492.db2.gz ZJJKUDJZNYZGDO-FUHWJXTLSA-N 2 2 283.419 3.245 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422936957 371879737 /nfs/dbraw/zinc/87/97/37/371879737.db2.gz NIYGCSICDJLDSZ-QZTJIDSGSA-N 2 2 296.414 3.235 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422943113 371883280 /nfs/dbraw/zinc/88/32/80/371883280.db2.gz KDWUTOLPXHQSJR-KSSFIOAISA-N 2 2 288.435 3.238 20 0 CGADLP CSCc1cc(F)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422849290 371838124 /nfs/dbraw/zinc/83/81/24/371838124.db2.gz BURBMMNSTTXXAM-WBMJQRKESA-N 2 2 296.455 3.309 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422854113 371840350 /nfs/dbraw/zinc/84/03/50/371840350.db2.gz AEBWVRAMLGZFNK-GDBMZVCRSA-N 2 2 276.424 3.014 20 0 CGADLP CSCc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423060492 371941950 /nfs/dbraw/zinc/94/19/50/371941950.db2.gz OPGGGWLBKBLXGJ-CJNGLKHVSA-N 2 2 278.465 3.170 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000290058041 371890931 /nfs/dbraw/zinc/89/09/31/371890931.db2.gz PDMRTSYFFNHVCL-INIZCTEOSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000290058041 371890939 /nfs/dbraw/zinc/89/09/39/371890939.db2.gz PDMRTSYFFNHVCL-INIZCTEOSA-N 2 2 289.810 3.453 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000422973421 371896853 /nfs/dbraw/zinc/89/68/53/371896853.db2.gz OMLXXGODJXFUNW-SJORKVTESA-N 2 2 297.402 3.103 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000290088661 371898618 /nfs/dbraw/zinc/89/86/18/371898618.db2.gz ZKTMRXMOFZQIPG-BPUTZDHNSA-N 2 2 261.413 3.101 20 0 CGADLP CC[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422982810 371902280 /nfs/dbraw/zinc/90/22/80/371902280.db2.gz RLSMHOPIIUJGNR-CABCVRRESA-N 2 2 258.365 3.053 20 0 CGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423066985 371943380 /nfs/dbraw/zinc/94/33/80/371943380.db2.gz YKSXHFLNRWNOGW-HZPDHXFCSA-N 2 2 286.350 3.069 20 0 CGADLP Cc1ccc[nH+]c1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000344120022 217059067 /nfs/dbraw/zinc/05/90/67/217059067.db2.gz CKTOOFVOPZGUAT-UHFFFAOYSA-N 2 2 270.361 3.249 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033692 371926138 /nfs/dbraw/zinc/92/61/38/371926138.db2.gz ZQKARUMQJQMMEM-IAQYHMDHSA-N 2 2 296.817 3.098 20 0 CGADLP COCCC1(C[NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000290199262 371932281 /nfs/dbraw/zinc/93/22/81/371932281.db2.gz CVFYJUCNYQQURZ-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423106003 371970860 /nfs/dbraw/zinc/97/08/60/371970860.db2.gz OCSLEVQZCATUOQ-HUUCEWRRSA-N 2 2 298.352 3.498 20 0 CGADLP CCCC[C@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290373749 371974475 /nfs/dbraw/zinc/97/44/75/371974475.db2.gz NNWAJHOMBRREMK-MRXNPFEDSA-N 2 2 264.413 3.117 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000156543181 371982348 /nfs/dbraw/zinc/98/23/48/371982348.db2.gz HFFVLPKSMVBQDF-UKRRQHHQSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000156543181 371982352 /nfs/dbraw/zinc/98/23/52/371982352.db2.gz HFFVLPKSMVBQDF-UKRRQHHQSA-N 2 2 294.439 3.437 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423136172 371984401 /nfs/dbraw/zinc/98/44/01/371984401.db2.gz USSADKHEKSYFEC-CJNGLKHVSA-N 2 2 278.465 3.419 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423072622 371947815 /nfs/dbraw/zinc/94/78/15/371947815.db2.gz PWNCLKIGHWEFJW-KBPBESRZSA-N 2 2 282.815 3.098 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC2(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423083677 371954189 /nfs/dbraw/zinc/95/41/89/371954189.db2.gz GGBLWOBFMVEWNG-IRXDYDNUSA-N 2 2 288.435 3.268 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423196859 372021371 /nfs/dbraw/zinc/02/13/71/372021371.db2.gz WQKWVQLOSURYOP-MJGOQNOKSA-N 2 2 296.414 3.126 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195873 372021767 /nfs/dbraw/zinc/02/17/67/372021767.db2.gz UDAYEKJJOZTWCQ-CHWSQXEVSA-N 2 2 258.365 3.144 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423199824 372025327 /nfs/dbraw/zinc/02/53/27/372025327.db2.gz KSTGXLHNCLUNEF-CQSZACIVSA-N 2 2 261.413 3.092 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000290610978 372028411 /nfs/dbraw/zinc/02/84/11/372028411.db2.gz WNSDLKDNOAVNDM-QGZVFWFLSA-N 2 2 298.434 3.500 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000290610978 372028418 /nfs/dbraw/zinc/02/84/18/372028418.db2.gz WNSDLKDNOAVNDM-QGZVFWFLSA-N 2 2 298.434 3.500 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423235943 372042336 /nfs/dbraw/zinc/04/23/36/372042336.db2.gz NSZDEQOEHZGPHC-IAQYHMDHSA-N 2 2 264.800 3.059 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423235942 372042365 /nfs/dbraw/zinc/04/23/65/372042365.db2.gz NSZDEQOEHZGPHC-ABAIWWIYSA-N 2 2 264.800 3.059 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423376553 372055863 /nfs/dbraw/zinc/05/58/63/372055863.db2.gz JMNQCHRYYPSJCO-KBRIMQKVSA-N 2 2 260.425 3.459 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423463519 372066032 /nfs/dbraw/zinc/06/60/32/372066032.db2.gz LHCCMJXRHSZFFA-RISCZKNCSA-N 2 2 282.815 3.189 20 0 CGADLP C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158543398 372072912 /nfs/dbraw/zinc/07/29/12/372072912.db2.gz YCYURZMTYUKBHS-AWEZNQCLSA-N 2 2 280.375 3.062 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)Cc3cccc(O)c3)n2c1 ZINC000344210586 217101467 /nfs/dbraw/zinc/10/14/67/217101467.db2.gz KTVKOOZGHRUEKM-AWEZNQCLSA-N 2 2 295.386 3.069 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040672286 541868361 /nfs/dbraw/zinc/86/83/61/541868361.db2.gz IQCKNDMJRCQDLJ-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040672286 541868365 /nfs/dbraw/zinc/86/83/65/541868365.db2.gz IQCKNDMJRCQDLJ-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040672284 541868048 /nfs/dbraw/zinc/86/80/48/541868048.db2.gz IQCKNDMJRCQDLJ-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040672284 541868052 /nfs/dbraw/zinc/86/80/52/541868052.db2.gz IQCKNDMJRCQDLJ-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671914 541868882 /nfs/dbraw/zinc/86/88/82/541868882.db2.gz NWYPHNMAYHBCIV-VXGBXAGGSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671914 541868884 /nfs/dbraw/zinc/86/88/84/541868884.db2.gz NWYPHNMAYHBCIV-VXGBXAGGSA-N 2 2 286.341 3.450 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428853099 372269125 /nfs/dbraw/zinc/26/91/25/372269125.db2.gz YIRFSTWRGSLNCZ-UHFFFAOYSA-N 2 2 293.411 3.009 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344320622 217148092 /nfs/dbraw/zinc/14/80/92/217148092.db2.gz DMTACEGPDIQGCY-PBHICJAKSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344320622 217148093 /nfs/dbraw/zinc/14/80/93/217148093.db2.gz DMTACEGPDIQGCY-PBHICJAKSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344331945 217155322 /nfs/dbraw/zinc/15/53/22/217155322.db2.gz YFBHKIRWXSRIJO-WMLDXEAASA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344331945 217155325 /nfs/dbraw/zinc/15/53/25/217155325.db2.gz YFBHKIRWXSRIJO-WMLDXEAASA-N 2 2 276.424 3.046 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+](C)[C@H]3C)ccc2c1 ZINC000344341087 217158620 /nfs/dbraw/zinc/15/86/20/217158620.db2.gz BOWKODYLXIKYGI-IFXJQAMLSA-N 2 2 298.430 3.421 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@H]3C)ccc2c1 ZINC000344341087 217158622 /nfs/dbraw/zinc/15/86/22/217158622.db2.gz BOWKODYLXIKYGI-IFXJQAMLSA-N 2 2 298.430 3.421 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000162619482 372407310 /nfs/dbraw/zinc/40/73/10/372407310.db2.gz ZHHISEMWMWSDTF-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000162619482 372407313 /nfs/dbraw/zinc/40/73/13/372407313.db2.gz ZHHISEMWMWSDTF-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000163811204 372493219 /nfs/dbraw/zinc/49/32/19/372493219.db2.gz IGHNSGUBPHHBOM-KDOFPFPSSA-N 2 2 281.403 3.407 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166345105 372572235 /nfs/dbraw/zinc/57/22/35/372572235.db2.gz ILXSTSUIUYLRNC-PVXIVEMSSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166345105 372572238 /nfs/dbraw/zinc/57/22/38/372572238.db2.gz ILXSTSUIUYLRNC-PVXIVEMSSA-N 2 2 282.378 3.488 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000294096075 372579699 /nfs/dbraw/zinc/57/96/99/372579699.db2.gz MIDGHMBPCOZOTE-IAGOWNOFSA-N 2 2 298.434 3.001 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000294096082 372580148 /nfs/dbraw/zinc/58/01/48/372580148.db2.gz MIDGHMBPCOZOTE-SJORKVTESA-N 2 2 298.434 3.001 20 0 CGADLP CC(F)(F)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000294191571 372608705 /nfs/dbraw/zinc/60/87/05/372608705.db2.gz LAQUFYNBWRKEDC-UHFFFAOYSA-N 2 2 265.307 3.007 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000168580013 372615553 /nfs/dbraw/zinc/61/55/53/372615553.db2.gz WSRNBLQNPCQUCT-PNESKVBLSA-N 2 2 266.816 3.126 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434783907 372709612 /nfs/dbraw/zinc/70/96/12/372709612.db2.gz BWVNMWDREMFIDK-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434783907 372709622 /nfs/dbraw/zinc/70/96/22/372709622.db2.gz BWVNMWDREMFIDK-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000353456248 220092912 /nfs/dbraw/zinc/09/29/12/220092912.db2.gz CASHYGYEYPQWAV-UHFFFAOYSA-N 2 2 287.382 3.422 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933587 372858336 /nfs/dbraw/zinc/85/83/36/372858336.db2.gz PSHVEGUWKDOZTN-CYBMUJFWSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000438131847 372896075 /nfs/dbraw/zinc/89/60/75/372896075.db2.gz XDLKZEIJYAOQQU-IVMMDQJWSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000438131847 372896081 /nfs/dbraw/zinc/89/60/81/372896081.db2.gz XDLKZEIJYAOQQU-IVMMDQJWSA-N 2 2 278.827 3.127 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000172350564 372948031 /nfs/dbraw/zinc/94/80/31/372948031.db2.gz RPSYJFZTRFZSKJ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[N@H+](Cc1nc2ccccc2s1)C[C@@H]1CCC[NH+](C)C1 ZINC000172350564 372948035 /nfs/dbraw/zinc/94/80/35/372948035.db2.gz RPSYJFZTRFZSKJ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172350564 372948041 /nfs/dbraw/zinc/94/80/41/372948041.db2.gz RPSYJFZTRFZSKJ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172350564 372948045 /nfs/dbraw/zinc/94/80/45/372948045.db2.gz RPSYJFZTRFZSKJ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353528771 220139326 /nfs/dbraw/zinc/13/93/26/220139326.db2.gz HZUZROHTDKWAIK-AEFFLSMTSA-N 2 2 290.451 3.004 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccccc1 ZINC000353549991 220152098 /nfs/dbraw/zinc/15/20/98/220152098.db2.gz MJPFDGNKMMLXHJ-UHFFFAOYSA-N 2 2 272.392 3.234 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccccc1 ZINC000353549991 220152099 /nfs/dbraw/zinc/15/20/99/220152099.db2.gz MJPFDGNKMMLXHJ-UHFFFAOYSA-N 2 2 272.392 3.234 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccccc1)Cc1ccco1 ZINC000353549991 220152100 /nfs/dbraw/zinc/15/21/00/220152100.db2.gz MJPFDGNKMMLXHJ-UHFFFAOYSA-N 2 2 272.392 3.234 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccccc1)Cc1ccco1 ZINC000353549991 220152102 /nfs/dbraw/zinc/15/21/02/220152102.db2.gz MJPFDGNKMMLXHJ-UHFFFAOYSA-N 2 2 272.392 3.234 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000173352029 373131279 /nfs/dbraw/zinc/13/12/79/373131279.db2.gz LJNUKTODHYMUSA-OCCSQVGLSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000173352029 373131284 /nfs/dbraw/zinc/13/12/84/373131284.db2.gz LJNUKTODHYMUSA-OCCSQVGLSA-N 2 2 264.438 3.153 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000444643959 373219658 /nfs/dbraw/zinc/21/96/58/373219658.db2.gz WWEDFAZWYYOQFL-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000444643959 373219662 /nfs/dbraw/zinc/21/96/62/373219662.db2.gz WWEDFAZWYYOQFL-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP CC(C)CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579862 220170033 /nfs/dbraw/zinc/17/00/33/220170033.db2.gz XQBQUTOLLYVRMJ-UHFFFAOYSA-N 2 2 252.402 3.079 20 0 CGADLP CC(C)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579862 220170035 /nfs/dbraw/zinc/17/00/35/220170035.db2.gz XQBQUTOLLYVRMJ-UHFFFAOYSA-N 2 2 252.402 3.079 20 0 CGADLP CC(C)CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353579862 220170036 /nfs/dbraw/zinc/17/00/36/220170036.db2.gz XQBQUTOLLYVRMJ-UHFFFAOYSA-N 2 2 252.402 3.079 20 0 CGADLP CC(C)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353579862 220170038 /nfs/dbraw/zinc/17/00/38/220170038.db2.gz XQBQUTOLLYVRMJ-UHFFFAOYSA-N 2 2 252.402 3.079 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000175774625 373518176 /nfs/dbraw/zinc/51/81/76/373518176.db2.gz YMOXLRQPBGBQPY-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447900134 373521575 /nfs/dbraw/zinc/52/15/75/373521575.db2.gz ABEUMBDAQAECFV-LNMJFAINSA-N 2 2 286.463 3.453 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447900134 373521583 /nfs/dbraw/zinc/52/15/83/373521583.db2.gz ABEUMBDAQAECFV-LNMJFAINSA-N 2 2 286.463 3.453 20 0 CGADLP C[C@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)C[NH+]1CCCC1 ZINC000447935397 373524722 /nfs/dbraw/zinc/52/47/22/373524722.db2.gz GWSHWTMUOIDRAK-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000448057940 373543942 /nfs/dbraw/zinc/54/39/42/373543942.db2.gz GYEQNIRYXONNKG-OAHLLOKOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000448057940 373543950 /nfs/dbraw/zinc/54/39/50/373543950.db2.gz GYEQNIRYXONNKG-OAHLLOKOSA-N 2 2 272.436 3.429 20 0 CGADLP c1ccc(NCCCC[NH2+]C2CC3(CCC3)C2)[nH+]c1 ZINC000448071048 373544767 /nfs/dbraw/zinc/54/47/67/373544767.db2.gz MIXZHFOEHHOIRI-UHFFFAOYSA-N 2 2 259.397 3.196 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCC[N@@H+]1C ZINC000448334767 373564972 /nfs/dbraw/zinc/56/49/72/373564972.db2.gz KNOYGDSUESQHSO-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCC[N@H+]1C ZINC000448334767 373564979 /nfs/dbraw/zinc/56/49/79/373564979.db2.gz KNOYGDSUESQHSO-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300411814 373628738 /nfs/dbraw/zinc/62/87/38/373628738.db2.gz QHNGOFAENLQMCH-VNHYZAJKSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300411814 373628745 /nfs/dbraw/zinc/62/87/45/373628745.db2.gz QHNGOFAENLQMCH-VNHYZAJKSA-N 2 2 252.446 3.274 20 0 CGADLP CC1CC[NH+](CCCNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301097351 373658448 /nfs/dbraw/zinc/65/84/48/373658448.db2.gz WQIGZACMANQLOP-UHFFFAOYSA-N 2 2 272.396 3.097 20 0 CGADLP COC1CCC([N@H+](C)CCCc2ccc(C)[nH+]c2)CC1 ZINC000353645136 220221718 /nfs/dbraw/zinc/22/17/18/220221718.db2.gz BDBWBLXVNBUACJ-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP COC1CCC([N@@H+](C)CCCc2ccc(C)[nH+]c2)CC1 ZINC000353645136 220221720 /nfs/dbraw/zinc/22/17/20/220221720.db2.gz BDBWBLXVNBUACJ-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP Cc1cc(NCCc2cn3ccccc3[nH+]2)nc(C(C)C)[nH+]1 ZINC000301066711 373645952 /nfs/dbraw/zinc/64/59/52/373645952.db2.gz HHPAFGABGRJIMA-UHFFFAOYSA-N 2 2 295.390 3.211 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@H](C(C)C)C2)c[nH+]1 ZINC000353657656 220229991 /nfs/dbraw/zinc/22/99/91/220229991.db2.gz ORNPHWUWTBIJNT-INIZCTEOSA-N 2 2 278.465 3.396 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@H](C(C)C)C2)c[nH+]1 ZINC000353657656 220229994 /nfs/dbraw/zinc/22/99/94/220229994.db2.gz ORNPHWUWTBIJNT-INIZCTEOSA-N 2 2 278.465 3.396 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccoc3)CC2)C1 ZINC000178475469 373782128 /nfs/dbraw/zinc/78/21/28/373782128.db2.gz FOWBBPZCUBGKCH-RHSMWYFYSA-N 2 2 276.424 3.412 20 0 CGADLP FC1(F)CCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449495963 373791573 /nfs/dbraw/zinc/79/15/73/373791573.db2.gz PCZPZIFOYNKMTK-NSHDSACASA-N 2 2 297.374 3.459 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179563903 373888424 /nfs/dbraw/zinc/88/84/24/373888424.db2.gz PHIGPRTXCCCWJM-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179563903 373888429 /nfs/dbraw/zinc/88/84/29/373888429.db2.gz PHIGPRTXCCCWJM-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP CC(C)C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180199713 373977097 /nfs/dbraw/zinc/97/70/97/373977097.db2.gz ZBQGVLPEGHNZSJ-AWEZNQCLSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180199713 373977103 /nfs/dbraw/zinc/97/71/03/373977103.db2.gz ZBQGVLPEGHNZSJ-AWEZNQCLSA-N 2 2 257.381 3.202 20 0 CGADLP CC[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181132200 374083797 /nfs/dbraw/zinc/08/37/97/374083797.db2.gz SLGMWWJYASSUIQ-OAHLLOKOSA-N 2 2 275.440 3.418 20 0 CGADLP CC[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181132200 374083802 /nfs/dbraw/zinc/08/38/02/374083802.db2.gz SLGMWWJYASSUIQ-OAHLLOKOSA-N 2 2 275.440 3.418 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000309891461 374201381 /nfs/dbraw/zinc/20/13/81/374201381.db2.gz MLLKVWYPUPMVJE-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000309891461 374201386 /nfs/dbraw/zinc/20/13/86/374201386.db2.gz MLLKVWYPUPMVJE-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309862427 374201743 /nfs/dbraw/zinc/20/17/43/374201743.db2.gz DNBTWZJISDPWLS-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309862427 374201748 /nfs/dbraw/zinc/20/17/48/374201748.db2.gz DNBTWZJISDPWLS-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000309891463 374202502 /nfs/dbraw/zinc/20/25/02/374202502.db2.gz MLLKVWYPUPMVJE-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000309891463 374202506 /nfs/dbraw/zinc/20/25/06/374202506.db2.gz MLLKVWYPUPMVJE-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000325049848 374358601 /nfs/dbraw/zinc/35/86/01/374358601.db2.gz PBTYFJVAEAJCES-WFASDCNBSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)C[N@H+]1C1CC1 ZINC000325049848 374358606 /nfs/dbraw/zinc/35/86/06/374358606.db2.gz PBTYFJVAEAJCES-WFASDCNBSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)[N@H+](C)C1CC1 ZINC000328126013 374360317 /nfs/dbraw/zinc/36/03/17/374360317.db2.gz UAOQAGVWVXZAHT-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)[N@@H+](C)C1CC1 ZINC000328126013 374360321 /nfs/dbraw/zinc/36/03/21/374360321.db2.gz UAOQAGVWVXZAHT-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000183155363 374378275 /nfs/dbraw/zinc/37/82/75/374378275.db2.gz OKUKEQZZVSANHT-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccoc2C)n1-c1ccccc1 ZINC000084017041 541931221 /nfs/dbraw/zinc/93/12/21/541931221.db2.gz MHAWPNOVSORQAK-UHFFFAOYSA-N 2 2 281.359 3.372 20 0 CGADLP c1[nH]cc(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)[nH+]1 ZINC000334196080 206175909 /nfs/dbraw/zinc/17/59/09/206175909.db2.gz KVOIPIHVINGNBS-UHFFFAOYSA-N 2 2 295.386 3.065 20 0 CGADLP CC1=CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000334254486 374663864 /nfs/dbraw/zinc/66/38/64/374663864.db2.gz KRMZCDSPRXJFIR-HNNXBMFYSA-N 2 2 271.408 3.139 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000463744209 374849117 /nfs/dbraw/zinc/84/91/17/374849117.db2.gz IAHFTDORKWQLQA-DOTOQJQBSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000463744209 374849121 /nfs/dbraw/zinc/84/91/21/374849121.db2.gz IAHFTDORKWQLQA-DOTOQJQBSA-N 2 2 290.451 3.438 20 0 CGADLP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)n1 ZINC000187086126 374967524 /nfs/dbraw/zinc/96/75/24/374967524.db2.gz LOENVDREEFVKDW-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)n1 ZINC000187086126 374967531 /nfs/dbraw/zinc/96/75/31/374967531.db2.gz LOENVDREEFVKDW-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000187086126 374967539 /nfs/dbraw/zinc/96/75/39/374967539.db2.gz LOENVDREEFVKDW-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)n1 ZINC000187086126 374967544 /nfs/dbraw/zinc/96/75/44/374967544.db2.gz LOENVDREEFVKDW-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000335065416 375101844 /nfs/dbraw/zinc/10/18/44/375101844.db2.gz RFRCXYAHLPSGFA-VIFPVBQESA-N 2 2 273.207 3.396 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc(C)c1O ZINC000335133299 375161662 /nfs/dbraw/zinc/16/16/62/375161662.db2.gz JUNJBFBTCSXYAG-UHFFFAOYSA-N 2 2 285.391 3.112 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149597 375176524 /nfs/dbraw/zinc/17/65/24/375176524.db2.gz NPAHJMAWMGACNP-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149597 375176526 /nfs/dbraw/zinc/17/65/26/375176526.db2.gz NPAHJMAWMGACNP-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1Cl ZINC000335149597 375176530 /nfs/dbraw/zinc/17/65/30/375176530.db2.gz NPAHJMAWMGACNP-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1Cl ZINC000335149597 375176534 /nfs/dbraw/zinc/17/65/34/375176534.db2.gz NPAHJMAWMGACNP-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000189479785 375395976 /nfs/dbraw/zinc/39/59/76/375395976.db2.gz WYFPNPCERDMGEA-XJKSGUPXSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000189479785 375395983 /nfs/dbraw/zinc/39/59/83/375395983.db2.gz WYFPNPCERDMGEA-XJKSGUPXSA-N 2 2 290.476 3.264 20 0 CGADLP COCCC1(C[NH2+]C[C@H](C)[N@H+](C)C2CC2)CCCCC1 ZINC000189159231 375333821 /nfs/dbraw/zinc/33/38/21/375333821.db2.gz SZTDZUCZGQOJPF-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP COCCC1(C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000189159231 375333828 /nfs/dbraw/zinc/33/38/28/375333828.db2.gz SZTDZUCZGQOJPF-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+](C)C ZINC000491590184 375335274 /nfs/dbraw/zinc/33/52/74/375335274.db2.gz XZVIDNUNFPHFRV-AWEZNQCLSA-N 2 2 288.391 3.359 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC000189784923 375445965 /nfs/dbraw/zinc/44/59/65/375445965.db2.gz QPHCBZWLSWKJJC-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000335917877 375539048 /nfs/dbraw/zinc/53/90/48/375539048.db2.gz JZAVXRFXDMSGMJ-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000335917877 375539057 /nfs/dbraw/zinc/53/90/57/375539057.db2.gz JZAVXRFXDMSGMJ-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP C[C@H]([NH2+]C1CC=CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122078782 542023166 /nfs/dbraw/zinc/02/31/66/542023166.db2.gz LORTVQGSJLKSEN-ZDUSSCGKSA-N 2 2 253.349 3.242 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)[N@H+](C)C1CC1 ZINC000192833055 375792419 /nfs/dbraw/zinc/79/24/19/375792419.db2.gz RNSAFKKUDUDVOG-DYVFJYSZSA-N 2 2 273.424 3.006 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)[N@@H+](C)C1CC1 ZINC000192833055 375792423 /nfs/dbraw/zinc/79/24/23/375792423.db2.gz RNSAFKKUDUDVOG-DYVFJYSZSA-N 2 2 273.424 3.006 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580029 375993338 /nfs/dbraw/zinc/99/33/38/375993338.db2.gz MWUGQBYRVAZZIB-HOTGVXAUSA-N 2 2 269.392 3.361 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580029 375993345 /nfs/dbraw/zinc/99/33/45/375993345.db2.gz MWUGQBYRVAZZIB-HOTGVXAUSA-N 2 2 269.392 3.361 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435242 376004502 /nfs/dbraw/zinc/00/45/02/376004502.db2.gz YYXRLBUWWNKPRG-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435242 376004508 /nfs/dbraw/zinc/00/45/08/376004508.db2.gz YYXRLBUWWNKPRG-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435242 376004513 /nfs/dbraw/zinc/00/45/13/376004513.db2.gz YYXRLBUWWNKPRG-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435242 376004518 /nfs/dbraw/zinc/00/45/18/376004518.db2.gz YYXRLBUWWNKPRG-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000336854039 376013379 /nfs/dbraw/zinc/01/33/79/376013379.db2.gz LMMAYVOGDKYCEN-SZVBFZGTSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000336854039 376013384 /nfs/dbraw/zinc/01/33/84/376013384.db2.gz LMMAYVOGDKYCEN-SZVBFZGTSA-N 2 2 295.430 3.243 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000536624964 376102821 /nfs/dbraw/zinc/10/28/21/376102821.db2.gz XGWQUQBGZVLBDZ-LXZKKBNFSA-N 2 2 272.436 3.475 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000536624964 376102826 /nfs/dbraw/zinc/10/28/26/376102826.db2.gz XGWQUQBGZVLBDZ-LXZKKBNFSA-N 2 2 272.436 3.475 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000221275172 376214863 /nfs/dbraw/zinc/21/48/63/376214863.db2.gz FEECIFWYOXQUCW-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2Br)C1 ZINC000221275172 376214865 /nfs/dbraw/zinc/21/48/65/376214865.db2.gz FEECIFWYOXQUCW-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000338198435 376280939 /nfs/dbraw/zinc/28/09/39/376280939.db2.gz SZMRSZREJFYGKS-OAHLLOKOSA-N 2 2 282.378 3.274 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338000498 376252012 /nfs/dbraw/zinc/25/20/12/376252012.db2.gz QDIJAAUEGHMJDQ-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP c1cn(CCCCNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000538706945 376257602 /nfs/dbraw/zinc/25/76/02/376257602.db2.gz UAGGASUDNFLOLH-UHFFFAOYSA-N 2 2 272.377 3.385 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000539409375 376309706 /nfs/dbraw/zinc/30/97/06/376309706.db2.gz TVZDGVUHWDULNM-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000539409375 376309710 /nfs/dbraw/zinc/30/97/10/376309710.db2.gz TVZDGVUHWDULNM-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000538971842 376283463 /nfs/dbraw/zinc/28/34/63/376283463.db2.gz SHHWDGORVZIQQL-ZMSDIMECSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000538971842 376283468 /nfs/dbraw/zinc/28/34/68/376283468.db2.gz SHHWDGORVZIQQL-ZMSDIMECSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000539075036 376291891 /nfs/dbraw/zinc/29/18/91/376291891.db2.gz QFUBUXNSQOLLJY-MAUKXSAKSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CC1 ZINC000539075036 376291897 /nfs/dbraw/zinc/29/18/97/376291897.db2.gz QFUBUXNSQOLLJY-MAUKXSAKSA-N 2 2 287.451 3.072 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1OC ZINC000338236349 376293071 /nfs/dbraw/zinc/29/30/71/376293071.db2.gz UTJOBYJWGSWIMB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1OC ZINC000338236349 376293075 /nfs/dbraw/zinc/29/30/75/376293075.db2.gz UTJOBYJWGSWIMB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000540184282 376364177 /nfs/dbraw/zinc/36/41/77/376364177.db2.gz YPFOLTGFAMFJCQ-HYVNUMGLSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000540184282 376364182 /nfs/dbraw/zinc/36/41/82/376364182.db2.gz YPFOLTGFAMFJCQ-HYVNUMGLSA-N 2 2 272.436 3.458 20 0 CGADLP c1[nH+]c2c(cc1NC1CC[NH+](CC3CC3)CC1)CCCC2 ZINC000541254887 376430368 /nfs/dbraw/zinc/43/03/68/376430368.db2.gz IIAWKGWGENFWGU-UHFFFAOYSA-N 2 2 285.435 3.247 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(F)c2F)C1 ZINC000542278434 376528018 /nfs/dbraw/zinc/52/80/18/376528018.db2.gz SLMDYHNEYMFLJZ-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(F)c2F)C1 ZINC000542278434 376528023 /nfs/dbraw/zinc/52/80/23/376528023.db2.gz SLMDYHNEYMFLJZ-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(F)c2F)C1 ZINC000542278434 376528029 /nfs/dbraw/zinc/52/80/29/376528029.db2.gz SLMDYHNEYMFLJZ-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000542278434 376528035 /nfs/dbraw/zinc/52/80/35/376528035.db2.gz SLMDYHNEYMFLJZ-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C2 ZINC000542914278 376589866 /nfs/dbraw/zinc/58/98/66/376589866.db2.gz DPXAUZJVLFGCHF-PXNSSMCTSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C2 ZINC000542914278 376589878 /nfs/dbraw/zinc/58/98/78/376589878.db2.gz DPXAUZJVLFGCHF-PXNSSMCTSA-N 2 2 298.474 3.352 20 0 CGADLP C[C@H]1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)S1 ZINC000543393676 376634716 /nfs/dbraw/zinc/63/47/16/376634716.db2.gz IVMDSITXZVCZBX-RYUDHWBXSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543755119 376675623 /nfs/dbraw/zinc/67/56/23/376675623.db2.gz PVIAIXNOPJTDQI-HZSPNIEDSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543755119 376675629 /nfs/dbraw/zinc/67/56/29/376675629.db2.gz PVIAIXNOPJTDQI-HZSPNIEDSA-N 2 2 293.480 3.447 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1ccsc1 ZINC000264628661 190124287 /nfs/dbraw/zinc/12/42/87/190124287.db2.gz KDADJZCQLZLLHF-ZDUSSCGKSA-N 2 2 288.420 3.130 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135339880 542087802 /nfs/dbraw/zinc/08/78/02/542087802.db2.gz RVLMLHCFKJKQLH-DOMZBBRYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135339880 542087806 /nfs/dbraw/zinc/08/78/06/542087806.db2.gz RVLMLHCFKJKQLH-DOMZBBRYSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151073535 542100826 /nfs/dbraw/zinc/10/08/26/542100826.db2.gz ICDUAWVPSHJDLF-HOCLYGCPSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000151073535 542100831 /nfs/dbraw/zinc/10/08/31/542100831.db2.gz ICDUAWVPSHJDLF-HOCLYGCPSA-N 2 2 258.409 3.018 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782824 542138435 /nfs/dbraw/zinc/13/84/35/542138435.db2.gz KKZKGMCAYNXJLJ-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782824 542138439 /nfs/dbraw/zinc/13/84/39/542138439.db2.gz KKZKGMCAYNXJLJ-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157754900 542138783 /nfs/dbraw/zinc/13/87/83/542138783.db2.gz WBHYFEFNOBFLCK-HIFRSBDPSA-N 2 2 276.449 3.199 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157754900 542138786 /nfs/dbraw/zinc/13/87/86/542138786.db2.gz WBHYFEFNOBFLCK-HIFRSBDPSA-N 2 2 276.449 3.199 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157752325 542139157 /nfs/dbraw/zinc/13/91/57/542139157.db2.gz CPGJZHUKDYBVSM-GDBMZVCRSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157752325 542139161 /nfs/dbraw/zinc/13/91/61/542139161.db2.gz CPGJZHUKDYBVSM-GDBMZVCRSA-N 2 2 258.409 3.130 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245605506 376868094 /nfs/dbraw/zinc/86/80/94/376868094.db2.gz JZJLRDKLZZZLGO-UONOGXRCSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245605506 376868102 /nfs/dbraw/zinc/86/81/02/376868102.db2.gz JZJLRDKLZZZLGO-UONOGXRCSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)s1 ZINC000245605506 376868107 /nfs/dbraw/zinc/86/81/07/376868107.db2.gz JZJLRDKLZZZLGO-UONOGXRCSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)s1 ZINC000245605506 376868111 /nfs/dbraw/zinc/86/81/11/376868111.db2.gz JZJLRDKLZZZLGO-UONOGXRCSA-N 2 2 295.496 3.491 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717392 376889689 /nfs/dbraw/zinc/88/96/89/376889689.db2.gz HGBPUEHYTMRZHT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717392 376889694 /nfs/dbraw/zinc/88/96/94/376889694.db2.gz HGBPUEHYTMRZHT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717392 376889706 /nfs/dbraw/zinc/88/97/06/376889706.db2.gz HGBPUEHYTMRZHT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717392 376889716 /nfs/dbraw/zinc/88/97/16/376889716.db2.gz HGBPUEHYTMRZHT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000245769529 376905026 /nfs/dbraw/zinc/90/50/26/376905026.db2.gz RLZILHFKNLCFCQ-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000245769529 376905033 /nfs/dbraw/zinc/90/50/33/376905033.db2.gz RLZILHFKNLCFCQ-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000245769529 376905039 /nfs/dbraw/zinc/90/50/39/376905039.db2.gz RLZILHFKNLCFCQ-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000245769529 376905043 /nfs/dbraw/zinc/90/50/43/376905043.db2.gz RLZILHFKNLCFCQ-IJEWVQPXSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000557697554 376952740 /nfs/dbraw/zinc/95/27/40/376952740.db2.gz CUDKRTJHIONTFO-OAGGEKHMSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000557697554 376952741 /nfs/dbraw/zinc/95/27/41/376952741.db2.gz CUDKRTJHIONTFO-OAGGEKHMSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000557751388 376955004 /nfs/dbraw/zinc/95/50/04/376955004.db2.gz SXRIXOBOZBVCPN-JTQLQIEISA-N 2 2 263.772 3.250 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000558650737 377029329 /nfs/dbraw/zinc/02/93/29/377029329.db2.gz YWJQYHCUXSZUFF-PWUWZPNHSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000558650737 377029333 /nfs/dbraw/zinc/02/93/33/377029333.db2.gz YWJQYHCUXSZUFF-PWUWZPNHSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000246179977 376982927 /nfs/dbraw/zinc/98/29/27/376982927.db2.gz WDURNTCWDJCFKQ-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000246179977 376982933 /nfs/dbraw/zinc/98/29/33/376982933.db2.gz WDURNTCWDJCFKQ-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000559899046 377104992 /nfs/dbraw/zinc/10/49/92/377104992.db2.gz FITQQNADCMOHNO-CABCVRRESA-N 2 2 250.430 3.195 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000559899046 377104999 /nfs/dbraw/zinc/10/49/99/377104999.db2.gz FITQQNADCMOHNO-CABCVRRESA-N 2 2 250.430 3.195 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246985879 377134634 /nfs/dbraw/zinc/13/46/34/377134634.db2.gz JCPYKKGZRKQBPS-BFYDXBDKSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562479434 377314827 /nfs/dbraw/zinc/31/48/27/377314827.db2.gz ZEVWNSRZWBHYKD-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562479434 377314835 /nfs/dbraw/zinc/31/48/35/377314835.db2.gz ZEVWNSRZWBHYKD-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562479434 377314842 /nfs/dbraw/zinc/31/48/42/377314842.db2.gz ZEVWNSRZWBHYKD-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000562479434 377314850 /nfs/dbraw/zinc/31/48/50/377314850.db2.gz ZEVWNSRZWBHYKD-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562065490 377274075 /nfs/dbraw/zinc/27/40/75/377274075.db2.gz SIUJCFXQDUUTFD-JHNDHUHGSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563426517 377462911 /nfs/dbraw/zinc/46/29/11/377462911.db2.gz MLSITBCRNUUOTB-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563426517 377462921 /nfs/dbraw/zinc/46/29/21/377462921.db2.gz MLSITBCRNUUOTB-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249275102 377485277 /nfs/dbraw/zinc/48/52/77/377485277.db2.gz LPYSAGLVLUJBNE-MCIONIFRSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249275102 377485282 /nfs/dbraw/zinc/48/52/82/377485282.db2.gz LPYSAGLVLUJBNE-MCIONIFRSA-N 2 2 292.389 3.429 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000162602118 542165101 /nfs/dbraw/zinc/16/51/01/542165101.db2.gz PEAQMPNUSCHEMM-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000162602118 542165107 /nfs/dbraw/zinc/16/51/07/542165107.db2.gz PEAQMPNUSCHEMM-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)c1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289236 377490360 /nfs/dbraw/zinc/49/03/60/377490360.db2.gz RXAKCUUPSMTYKM-KGLIPLIRSA-N 2 2 290.455 3.040 20 0 CGADLP CC(C)c1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289236 377490368 /nfs/dbraw/zinc/49/03/68/377490368.db2.gz RXAKCUUPSMTYKM-KGLIPLIRSA-N 2 2 290.455 3.040 20 0 CGADLP CC(C)c1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289237 377491118 /nfs/dbraw/zinc/49/11/18/377491118.db2.gz RXAKCUUPSMTYKM-UONOGXRCSA-N 2 2 290.455 3.040 20 0 CGADLP CC(C)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289237 377491125 /nfs/dbraw/zinc/49/11/25/377491125.db2.gz RXAKCUUPSMTYKM-UONOGXRCSA-N 2 2 290.455 3.040 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000249381225 377497122 /nfs/dbraw/zinc/49/71/22/377497122.db2.gz RSSSSUAUFQNZEX-VQIMIIECSA-N 2 2 295.430 3.102 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000249381225 377497131 /nfs/dbraw/zinc/49/71/31/377497131.db2.gz RSSSSUAUFQNZEX-VQIMIIECSA-N 2 2 295.430 3.102 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062353 542169679 /nfs/dbraw/zinc/16/96/79/542169679.db2.gz IYHISARURGGOSY-XJKCOSOUSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062353 542169680 /nfs/dbraw/zinc/16/96/80/542169680.db2.gz IYHISARURGGOSY-XJKCOSOUSA-N 2 2 264.388 3.349 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000163673450 542167478 /nfs/dbraw/zinc/16/74/78/542167478.db2.gz GNPLFDBWYJVBNP-MRXNPFEDSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1ccc2[nH+]c(CNc3ccc4c(c3)[nH+]cn4C)cn2c1 ZINC000341381656 377538535 /nfs/dbraw/zinc/53/85/35/377538535.db2.gz CUGWXXVLUHMTIJ-UHFFFAOYSA-N 2 2 291.358 3.142 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC000313263264 249089998 /nfs/dbraw/zinc/08/99/98/249089998.db2.gz LPXTXVYUGXVUCN-OAHLLOKOSA-N 2 2 261.413 3.055 20 0 CGADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341377466 377536835 /nfs/dbraw/zinc/53/68/35/377536835.db2.gz URRIURNOUWJPSK-INIZCTEOSA-N 2 2 275.440 3.214 20 0 CGADLP C[C@@H]([NH2+]Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]1 ZINC000422904187 249127710 /nfs/dbraw/zinc/12/77/10/249127710.db2.gz PUQDYNCETHGCKF-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000516580552 249237536 /nfs/dbraw/zinc/23/75/36/249237536.db2.gz KWDBHIXNXIHJCK-OAHLLOKOSA-N 2 2 259.397 3.100 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000516580552 249237538 /nfs/dbraw/zinc/23/75/38/249237538.db2.gz KWDBHIXNXIHJCK-OAHLLOKOSA-N 2 2 259.397 3.100 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000515704437 249219588 /nfs/dbraw/zinc/21/95/88/249219588.db2.gz ZGWHCZJFFCSTAF-ZDUSSCGKSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000515704437 249219591 /nfs/dbraw/zinc/21/95/91/249219591.db2.gz ZGWHCZJFFCSTAF-ZDUSSCGKSA-N 2 2 281.469 3.086 20 0 CGADLP F[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000518533428 249282674 /nfs/dbraw/zinc/28/26/74/249282674.db2.gz ZDWDRTJBEISRRG-LSDHHAIUSA-N 2 2 273.355 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038341 249256289 /nfs/dbraw/zinc/25/62/89/249256289.db2.gz XTEZYHFSYXBFHG-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038341 249256292 /nfs/dbraw/zinc/25/62/92/249256292.db2.gz XTEZYHFSYXBFHG-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251545930 377586340 /nfs/dbraw/zinc/58/63/40/377586340.db2.gz AZJKSOQOMTUDED-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251545930 377586345 /nfs/dbraw/zinc/58/63/45/377586345.db2.gz AZJKSOQOMTUDED-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP CCC[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341834520 377618428 /nfs/dbraw/zinc/61/84/28/377618428.db2.gz KUZUQHALNDPPPC-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341834520 377618437 /nfs/dbraw/zinc/61/84/37/377618437.db2.gz KUZUQHALNDPPPC-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341834520 377618448 /nfs/dbraw/zinc/61/84/48/377618448.db2.gz KUZUQHALNDPPPC-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341834520 377618460 /nfs/dbraw/zinc/61/84/60/377618460.db2.gz KUZUQHALNDPPPC-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000342090065 377630051 /nfs/dbraw/zinc/63/00/51/377630051.db2.gz DEPJGVCOSMZCSQ-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c2ccccc2n1 ZINC000574462706 377668060 /nfs/dbraw/zinc/66/80/60/377668060.db2.gz KFASBIGROXMZCB-DLBZAZTESA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c2ccccc2n1 ZINC000574462706 377668061 /nfs/dbraw/zinc/66/80/61/377668061.db2.gz KFASBIGROXMZCB-DLBZAZTESA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2n1 ZINC000574462706 377668062 /nfs/dbraw/zinc/66/80/62/377668062.db2.gz KFASBIGROXMZCB-DLBZAZTESA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c2ccccc2n1 ZINC000574462706 377668064 /nfs/dbraw/zinc/66/80/64/377668064.db2.gz KFASBIGROXMZCB-DLBZAZTESA-N 2 2 295.430 3.212 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000342576283 377669142 /nfs/dbraw/zinc/66/91/42/377669142.db2.gz LGRWWDNMWQGFHP-ZWKOTPCHSA-N 2 2 295.430 3.117 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735875 377764224 /nfs/dbraw/zinc/76/42/24/377764224.db2.gz NIOBRGBVYPKNGT-SLEUVZQESA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735875 377764229 /nfs/dbraw/zinc/76/42/29/377764229.db2.gz NIOBRGBVYPKNGT-SLEUVZQESA-N 2 2 298.377 3.421 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342742298 377768187 /nfs/dbraw/zinc/76/81/87/377768187.db2.gz XDLVQVAFVJDSAB-HNNXBMFYSA-N 2 2 273.355 3.290 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC000261577114 377821138 /nfs/dbraw/zinc/82/11/38/377821138.db2.gz OCMKXKQDQAUEGW-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC000261577114 377821145 /nfs/dbraw/zinc/82/11/45/377821145.db2.gz OCMKXKQDQAUEGW-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261574638 377821199 /nfs/dbraw/zinc/82/11/99/377821199.db2.gz MSYTTXRNIXHGKG-MRCXROJRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261574638 377821205 /nfs/dbraw/zinc/82/12/05/377821205.db2.gz MSYTTXRNIXHGKG-MRCXROJRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261604867 377826687 /nfs/dbraw/zinc/82/66/87/377826687.db2.gz BAHAZAKFXQFNMW-DLBZAZTESA-N 2 2 286.806 3.267 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261604867 377826695 /nfs/dbraw/zinc/82/66/95/377826695.db2.gz BAHAZAKFXQFNMW-DLBZAZTESA-N 2 2 286.806 3.267 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1[NH3+] ZINC000261657401 377836563 /nfs/dbraw/zinc/83/65/63/377836563.db2.gz XVMNADPGIMJTTJ-KBXCAEBGSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1[NH3+] ZINC000261657401 377836567 /nfs/dbraw/zinc/83/65/67/377836567.db2.gz XVMNADPGIMJTTJ-KBXCAEBGSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342929592 377861768 /nfs/dbraw/zinc/86/17/68/377861768.db2.gz FYJYUGBTOGTCJG-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342929592 377861775 /nfs/dbraw/zinc/86/17/75/377861775.db2.gz FYJYUGBTOGTCJG-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261930596 377869200 /nfs/dbraw/zinc/86/92/00/377869200.db2.gz LMYFTCCGXONIOF-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261930596 377869205 /nfs/dbraw/zinc/86/92/05/377869205.db2.gz LMYFTCCGXONIOF-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC000262142816 377889092 /nfs/dbraw/zinc/88/90/92/377889092.db2.gz ZFOHARMXZRQSQN-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC000262142816 377889096 /nfs/dbraw/zinc/88/90/96/377889096.db2.gz ZFOHARMXZRQSQN-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC000262353463 377895301 /nfs/dbraw/zinc/89/53/01/377895301.db2.gz VLFZGVFODUBIBA-CVEARBPZSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC000262353463 377895306 /nfs/dbraw/zinc/89/53/06/377895306.db2.gz VLFZGVFODUBIBA-CVEARBPZSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261713544 377845132 /nfs/dbraw/zinc/84/51/32/377845132.db2.gz KOZJRECBBJPMAB-RPVQJOFSSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261713544 377845138 /nfs/dbraw/zinc/84/51/38/377845138.db2.gz KOZJRECBBJPMAB-RPVQJOFSSA-N 2 2 284.378 3.313 20 0 CGADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000343206710 377930206 /nfs/dbraw/zinc/93/02/06/377930206.db2.gz NUWJVTBHAQQTEW-TZMCWYRMSA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000343206710 377930210 /nfs/dbraw/zinc/93/02/10/377930210.db2.gz NUWJVTBHAQQTEW-TZMCWYRMSA-N 2 2 288.391 3.014 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]cn3C)oc21 ZINC000263857218 377952779 /nfs/dbraw/zinc/95/27/79/377952779.db2.gz SQJZQHCNRZYVKB-NSHDSACASA-N 2 2 285.347 3.026 20 0 CGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCCC1 ZINC000262632382 377905723 /nfs/dbraw/zinc/90/57/23/377905723.db2.gz FYZBDNWUCCXKJP-UHFFFAOYSA-N 2 2 298.390 3.040 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@H+](CC[NH3+])C1CC1 ZINC000262910419 377911195 /nfs/dbraw/zinc/91/11/95/377911195.db2.gz FRHRWQKQXQSLLM-CYBMUJFWSA-N 2 2 254.377 3.324 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](CC[NH3+])C1CC1 ZINC000262910419 377911197 /nfs/dbraw/zinc/91/11/97/377911197.db2.gz FRHRWQKQXQSLLM-CYBMUJFWSA-N 2 2 254.377 3.324 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC000343141670 377913124 /nfs/dbraw/zinc/91/31/24/377913124.db2.gz LVQFIYBBUNGYJQ-AWEZNQCLSA-N 2 2 275.371 3.495 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC000343141670 377913128 /nfs/dbraw/zinc/91/31/28/377913128.db2.gz LVQFIYBBUNGYJQ-AWEZNQCLSA-N 2 2 275.371 3.495 20 0 CGADLP Cc1[nH+]c2ccccc2c(NCCNc2cccc[nH+]2)c1C ZINC000343534284 378011324 /nfs/dbraw/zinc/01/13/24/378011324.db2.gz QSBFBRUGKVWBHN-UHFFFAOYSA-N 2 2 292.386 3.193 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000343456029 377985901 /nfs/dbraw/zinc/98/59/01/377985901.db2.gz CUDJWPOQZQZKSR-ZENOOKHLSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000343456029 377985905 /nfs/dbraw/zinc/98/59/05/377985905.db2.gz CUDJWPOQZQZKSR-ZENOOKHLSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1csc(C(C)(C)[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000575984720 378005157 /nfs/dbraw/zinc/00/51/57/378005157.db2.gz GBLRHLLJCKABDA-UHFFFAOYSA-N 2 2 275.421 3.222 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000343633798 378049446 /nfs/dbraw/zinc/04/94/46/378049446.db2.gz DHQLUDOUABWNOA-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343741976 378079725 /nfs/dbraw/zinc/07/97/25/378079725.db2.gz QKMJHKSGPMLIGM-UHFFFAOYSA-N 2 2 285.322 3.203 20 0 CGADLP c1cn(C2CCN(c3cc[nH+]c4ccsc43)CC2)c[nH+]1 ZINC000266397036 378020598 /nfs/dbraw/zinc/02/05/98/378020598.db2.gz OWRBHFXNQYRUCG-UHFFFAOYSA-N 2 2 284.388 3.334 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000268831026 378125281 /nfs/dbraw/zinc/12/52/81/378125281.db2.gz QYELESVBQXPCGQ-WMLDXEAASA-N 2 2 287.407 3.411 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837206 378127074 /nfs/dbraw/zinc/12/70/74/378127074.db2.gz UWMRIKYLAQWFIN-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837206 378127078 /nfs/dbraw/zinc/12/70/78/378127078.db2.gz UWMRIKYLAQWFIN-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)C ZINC000268735081 378098665 /nfs/dbraw/zinc/09/86/65/378098665.db2.gz BERCGUWSZSCEBP-QGZVFWFLSA-N 2 2 271.408 3.456 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000578878321 378109153 /nfs/dbraw/zinc/10/91/53/378109153.db2.gz OXFZSJIDRIKMAA-LBPRGKRZSA-N 2 2 299.256 3.488 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777584 378193317 /nfs/dbraw/zinc/19/33/17/378193317.db2.gz SIAKRYYZZKVJME-CHWSQXEVSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777584 378193324 /nfs/dbraw/zinc/19/33/24/378193324.db2.gz SIAKRYYZZKVJME-CHWSQXEVSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777584 378193326 /nfs/dbraw/zinc/19/33/26/378193326.db2.gz SIAKRYYZZKVJME-CHWSQXEVSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777584 378193334 /nfs/dbraw/zinc/19/33/34/378193334.db2.gz SIAKRYYZZKVJME-CHWSQXEVSA-N 2 2 295.496 3.213 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000345169467 378212091 /nfs/dbraw/zinc/21/20/91/378212091.db2.gz AHRSDDWGLUOHKE-XHDPSFHLSA-N 2 2 270.367 3.346 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)c(F)c1)CCC2 ZINC000344545636 378175040 /nfs/dbraw/zinc/17/50/40/378175040.db2.gz SDPYCWCCIBWGON-HNNXBMFYSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000580791893 378257911 /nfs/dbraw/zinc/25/79/11/378257911.db2.gz KJBASUHGFPIKBD-ZFWWWQNUSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000580791893 378257914 /nfs/dbraw/zinc/25/79/14/378257914.db2.gz KJBASUHGFPIKBD-ZFWWWQNUSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000580791890 378258577 /nfs/dbraw/zinc/25/85/77/378258577.db2.gz KJBASUHGFPIKBD-DZGCQCFKSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000580791890 378258579 /nfs/dbraw/zinc/25/85/79/378258579.db2.gz KJBASUHGFPIKBD-DZGCQCFKSA-N 2 2 272.392 3.314 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583974153 378363013 /nfs/dbraw/zinc/36/30/13/378363013.db2.gz PVFZHJSMEYYUNZ-YPMHNXCESA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000583974153 378363017 /nfs/dbraw/zinc/36/30/17/378363017.db2.gz PVFZHJSMEYYUNZ-YPMHNXCESA-N 2 2 278.362 3.324 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000583522839 378327525 /nfs/dbraw/zinc/32/75/25/378327525.db2.gz ADDJUQJVEXVGEY-FQLMCAECSA-N 2 2 252.446 3.274 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000583522839 378327530 /nfs/dbraw/zinc/32/75/30/378327530.db2.gz ADDJUQJVEXVGEY-FQLMCAECSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)n1C ZINC000583823873 378349956 /nfs/dbraw/zinc/34/99/56/378349956.db2.gz KQVCMDBXWITLBP-DGCLKSJQSA-N 2 2 289.345 3.187 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCOCC34CCCC4)cc2)c[nH+]1 ZINC000270576937 378371598 /nfs/dbraw/zinc/37/15/98/378371598.db2.gz CBXBLKHUGYVAOD-UHFFFAOYSA-N 2 2 297.402 3.017 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCOCC34CCCC4)cc2)c[nH+]1 ZINC000270576937 378371605 /nfs/dbraw/zinc/37/16/05/378371605.db2.gz CBXBLKHUGYVAOD-UHFFFAOYSA-N 2 2 297.402 3.017 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@H]2CCC2CCCC2)c[nH+]1 ZINC000346273767 378528628 /nfs/dbraw/zinc/52/86/28/378528628.db2.gz HZAJEYQLOLMSTB-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@H]2CCC2CCCC2)c[nH+]1 ZINC000346273767 378528632 /nfs/dbraw/zinc/52/86/32/378528632.db2.gz HZAJEYQLOLMSTB-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346138794 378477209 /nfs/dbraw/zinc/47/72/09/378477209.db2.gz UCFLYAPCJTYUCF-GFCCVEGCSA-N 2 2 261.394 3.308 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346138794 378477214 /nfs/dbraw/zinc/47/72/14/378477214.db2.gz UCFLYAPCJTYUCF-GFCCVEGCSA-N 2 2 261.394 3.308 20 0 CGADLP CC(C)[C@H]1CC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346182569 378494872 /nfs/dbraw/zinc/49/48/72/378494872.db2.gz VIVYPCUWMJZGQB-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@H]1CC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346182569 378494880 /nfs/dbraw/zinc/49/48/80/378494880.db2.gz VIVYPCUWMJZGQB-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@H]1CC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346182569 378494886 /nfs/dbraw/zinc/49/48/86/378494886.db2.gz VIVYPCUWMJZGQB-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@H]1CC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346182569 378494890 /nfs/dbraw/zinc/49/48/90/378494890.db2.gz VIVYPCUWMJZGQB-CQSZACIVSA-N 2 2 293.480 3.140 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000271809757 378506892 /nfs/dbraw/zinc/50/68/92/378506892.db2.gz UHEQZSAZLZIIAQ-RYUDHWBXSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000271809757 378506898 /nfs/dbraw/zinc/50/68/98/378506898.db2.gz UHEQZSAZLZIIAQ-RYUDHWBXSA-N 2 2 268.351 3.100 20 0 CGADLP Fc1ccc(CC[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000271910755 378513180 /nfs/dbraw/zinc/51/31/80/378513180.db2.gz IOCVVGUPJPRGKK-UHFFFAOYSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000271910755 378513191 /nfs/dbraw/zinc/51/31/91/378513191.db2.gz IOCVVGUPJPRGKK-UHFFFAOYSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346231657 378513576 /nfs/dbraw/zinc/51/35/76/378513576.db2.gz XSZNFFDOQCIMIV-TXEJJXNPSA-N 2 2 261.394 3.022 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346231657 378513582 /nfs/dbraw/zinc/51/35/82/378513582.db2.gz XSZNFFDOQCIMIV-TXEJJXNPSA-N 2 2 261.394 3.022 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346348102 378553181 /nfs/dbraw/zinc/55/31/81/378553181.db2.gz IPLARWLBEGXUOD-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346348102 378553188 /nfs/dbraw/zinc/55/31/88/378553188.db2.gz IPLARWLBEGXUOD-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP Cc1ccoc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000266125731 190232523 /nfs/dbraw/zinc/23/25/23/190232523.db2.gz BFZIDWWRZXKPOQ-UHFFFAOYSA-N 2 2 283.375 3.197 20 0 CGADLP C[N@H+](CC[C@H]1CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000346574929 378630129 /nfs/dbraw/zinc/63/01/29/378630129.db2.gz QCSJUPPYLIQDEY-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP C[N@@H+](CC[C@H]1CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000346574929 378630134 /nfs/dbraw/zinc/63/01/34/378630134.db2.gz QCSJUPPYLIQDEY-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000346630482 378653236 /nfs/dbraw/zinc/65/32/36/378653236.db2.gz CHRHEEMBKQLMRD-UHFFFAOYSA-N 2 2 284.378 3.416 20 0 CGADLP Fc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000346634550 378655310 /nfs/dbraw/zinc/65/53/10/378655310.db2.gz GDABOVCKQZPMOD-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Fc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000346634550 378655313 /nfs/dbraw/zinc/65/53/13/378655313.db2.gz GDABOVCKQZPMOD-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000347971172 378743691 /nfs/dbraw/zinc/74/36/91/378743691.db2.gz XDPGPUIJISSDAD-SOUVJXGZSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000347971172 378743697 /nfs/dbraw/zinc/74/36/97/378743697.db2.gz XDPGPUIJISSDAD-SOUVJXGZSA-N 2 2 291.439 3.287 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114288 378705855 /nfs/dbraw/zinc/70/58/55/378705855.db2.gz VHRSSHCWFYRZCR-DOMZBBRYSA-N 2 2 297.393 3.181 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114288 378705857 /nfs/dbraw/zinc/70/58/57/378705857.db2.gz VHRSSHCWFYRZCR-DOMZBBRYSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114288 378705859 /nfs/dbraw/zinc/70/58/59/378705859.db2.gz VHRSSHCWFYRZCR-DOMZBBRYSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114288 378705861 /nfs/dbraw/zinc/70/58/61/378705861.db2.gz VHRSSHCWFYRZCR-DOMZBBRYSA-N 2 2 297.393 3.181 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118694 378707478 /nfs/dbraw/zinc/70/74/78/378707478.db2.gz XNBHNVRKNRFPBG-AWEZNQCLSA-N 2 2 297.393 3.325 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118694 378707483 /nfs/dbraw/zinc/70/74/83/378707483.db2.gz XNBHNVRKNRFPBG-AWEZNQCLSA-N 2 2 297.393 3.325 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118694 378707487 /nfs/dbraw/zinc/70/74/87/378707487.db2.gz XNBHNVRKNRFPBG-AWEZNQCLSA-N 2 2 297.393 3.325 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118694 378707491 /nfs/dbraw/zinc/70/74/91/378707491.db2.gz XNBHNVRKNRFPBG-AWEZNQCLSA-N 2 2 297.393 3.325 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638370026 378780357 /nfs/dbraw/zinc/78/03/57/378780357.db2.gz HPNFCDLXTMQOJA-OKILXGFUSA-N 2 2 291.439 3.010 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638370026 378780364 /nfs/dbraw/zinc/78/03/64/378780364.db2.gz HPNFCDLXTMQOJA-OKILXGFUSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000274442404 378834429 /nfs/dbraw/zinc/83/44/29/378834429.db2.gz LPSRUKPTXKZCSX-LLVKDONJSA-N 2 2 278.425 3.122 20 0 CGADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)o1 ZINC000638434883 378802946 /nfs/dbraw/zinc/80/29/46/378802946.db2.gz QVVJNIWRQZIZRK-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)o1 ZINC000638434883 378802950 /nfs/dbraw/zinc/80/29/50/378802950.db2.gz QVVJNIWRQZIZRK-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C12CCCCC2 ZINC000346796543 218017119 /nfs/dbraw/zinc/01/71/19/218017119.db2.gz SGYLNMVJFBRTIM-LTIDMASMSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C12CCCCC2 ZINC000346796543 218017122 /nfs/dbraw/zinc/01/71/22/218017122.db2.gz SGYLNMVJFBRTIM-LTIDMASMSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348241026 378859417 /nfs/dbraw/zinc/85/94/17/378859417.db2.gz IZFJZRFXQGWMAQ-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348241026 378859423 /nfs/dbraw/zinc/85/94/23/378859423.db2.gz IZFJZRFXQGWMAQ-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1nc2ccccc2o1)C(C)C ZINC000638735106 378893036 /nfs/dbraw/zinc/89/30/36/378893036.db2.gz NZOOLKQZONEIOI-UHFFFAOYSA-N 2 2 289.423 3.426 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638690318 378873727 /nfs/dbraw/zinc/87/37/27/378873727.db2.gz RKIYPFFGMOHURI-NFAWXSAZSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@@H](Cc1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274892842 378915054 /nfs/dbraw/zinc/91/50/54/378915054.db2.gz KGLHDZDXQFYMOV-HNNXBMFYSA-N 2 2 283.419 3.468 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC000348335557 378916054 /nfs/dbraw/zinc/91/60/54/378916054.db2.gz RFROHPVOFZRNHU-IWCQGFGOSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC000348335557 378916059 /nfs/dbraw/zinc/91/60/59/378916059.db2.gz RFROHPVOFZRNHU-IWCQGFGOSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000347060402 218107254 /nfs/dbraw/zinc/10/72/54/218107254.db2.gz YBAJHOPEROIEFW-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000347060402 218107256 /nfs/dbraw/zinc/10/72/56/218107256.db2.gz YBAJHOPEROIEFW-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC(=C3CCC3)CC1)CC2 ZINC000639071860 379003182 /nfs/dbraw/zinc/00/31/82/379003182.db2.gz PMRBODUOWBJSEQ-INIZCTEOSA-N 2 2 271.408 3.211 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@@H](C)C1 ZINC000347353446 218200885 /nfs/dbraw/zinc/20/08/85/218200885.db2.gz FMGKCWZOYMFKMX-GXTWGEPZSA-N 2 2 295.496 3.395 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@@H](C)C1 ZINC000347353446 218200887 /nfs/dbraw/zinc/20/08/87/218200887.db2.gz FMGKCWZOYMFKMX-GXTWGEPZSA-N 2 2 295.496 3.395 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@@H]3C3CC3)[nH+]c2)c[nH+]1 ZINC000348848039 379083643 /nfs/dbraw/zinc/08/36/43/379083643.db2.gz MBNGDGZLYFFEPU-HZPDHXFCSA-N 2 2 282.391 3.317 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639182258 379104066 /nfs/dbraw/zinc/10/40/66/379104066.db2.gz DRQSCGXLXXZNSG-FRFSOERESA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639182258 379104074 /nfs/dbraw/zinc/10/40/74/379104074.db2.gz DRQSCGXLXXZNSG-FRFSOERESA-N 2 2 276.399 3.302 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)o1 ZINC000278760180 194142888 /nfs/dbraw/zinc/14/28/88/194142888.db2.gz OLDKMRIHIIDKBY-ZDUSSCGKSA-N 2 2 273.380 3.444 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349143467 379168366 /nfs/dbraw/zinc/16/83/66/379168366.db2.gz BHNUNFRPSYIFIC-KFWWJZLASA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349143467 379168377 /nfs/dbraw/zinc/16/83/77/379168377.db2.gz BHNUNFRPSYIFIC-KFWWJZLASA-N 2 2 261.413 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000349145293 379169655 /nfs/dbraw/zinc/16/96/55/379169655.db2.gz DTYDMWAMGIKVMI-ZDUSSCGKSA-N 2 2 298.365 3.030 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000349145293 379169663 /nfs/dbraw/zinc/16/96/63/379169663.db2.gz DTYDMWAMGIKVMI-ZDUSSCGKSA-N 2 2 298.365 3.030 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000278796016 194159202 /nfs/dbraw/zinc/15/92/02/194159202.db2.gz WCFLHHYACMWVFA-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000278796016 194159204 /nfs/dbraw/zinc/15/92/04/194159204.db2.gz WCFLHHYACMWVFA-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000639255585 379197875 /nfs/dbraw/zinc/19/78/75/379197875.db2.gz IOTRDDDYCJRWCG-CABCVRRESA-N 2 2 261.413 3.077 20 0 CGADLP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000639255586 379198037 /nfs/dbraw/zinc/19/80/37/379198037.db2.gz IOTRDDDYCJRWCG-GJZGRUSLSA-N 2 2 261.413 3.077 20 0 CGADLP c1cn(CCCC2CC[NH+](C[C@H]3CCSC3)CC2)c[nH+]1 ZINC000349347851 379242311 /nfs/dbraw/zinc/24/23/11/379242311.db2.gz MOURCOCJWFUWAZ-MRXNPFEDSA-N 2 2 293.480 3.128 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc2c1OCC2 ZINC000349369452 379254078 /nfs/dbraw/zinc/25/40/78/379254078.db2.gz PXXYNRKYKGDUTF-UHFFFAOYSA-N 2 2 296.842 3.049 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc2c1OCC2 ZINC000349369452 379254085 /nfs/dbraw/zinc/25/40/85/379254085.db2.gz PXXYNRKYKGDUTF-UHFFFAOYSA-N 2 2 296.842 3.049 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349407477 379270968 /nfs/dbraw/zinc/27/09/68/379270968.db2.gz NQVHBEPXRWPPHJ-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cs1 ZINC000349407477 379270978 /nfs/dbraw/zinc/27/09/78/379270978.db2.gz NQVHBEPXRWPPHJ-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000349422405 379276728 /nfs/dbraw/zinc/27/67/28/379276728.db2.gz VLIJRSFTHOPKOO-UKRRQHHQSA-N 2 2 264.413 3.177 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000349422405 379276738 /nfs/dbraw/zinc/27/67/38/379276738.db2.gz VLIJRSFTHOPKOO-UKRRQHHQSA-N 2 2 264.413 3.177 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccnn1C(C)C ZINC000349422302 379278090 /nfs/dbraw/zinc/27/80/90/379278090.db2.gz UTKVJWLFYJQNJT-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccnn1C(C)C ZINC000349422302 379278098 /nfs/dbraw/zinc/27/80/98/379278098.db2.gz UTKVJWLFYJQNJT-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000639514598 379446269 /nfs/dbraw/zinc/44/62/69/379446269.db2.gz FQGMIVSOBMAGHX-NVXWUHKLSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000639514598 379446271 /nfs/dbraw/zinc/44/62/71/379446271.db2.gz FQGMIVSOBMAGHX-NVXWUHKLSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)OC(C)(C)C2)c(C)[nH+]1 ZINC000639459817 379407463 /nfs/dbraw/zinc/40/74/63/379407463.db2.gz BWMIOXXABUEKCT-ZDUSSCGKSA-N 2 2 262.397 3.006 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c(C)[nH+]1 ZINC000639459817 379407468 /nfs/dbraw/zinc/40/74/68/379407468.db2.gz BWMIOXXABUEKCT-ZDUSSCGKSA-N 2 2 262.397 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccon1 ZINC000349833395 379412236 /nfs/dbraw/zinc/41/22/36/379412236.db2.gz LAWBKCBARVDPEO-HLLBOEOZSA-N 2 2 299.418 3.378 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccon1 ZINC000349833395 379412243 /nfs/dbraw/zinc/41/22/43/379412243.db2.gz LAWBKCBARVDPEO-HLLBOEOZSA-N 2 2 299.418 3.378 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)[nH+]1 ZINC000639545064 379464117 /nfs/dbraw/zinc/46/41/17/379464117.db2.gz PZKXBPQZSHYKRD-QGZVFWFLSA-N 2 2 298.434 3.250 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(C)[nH+]1 ZINC000639545064 379464125 /nfs/dbraw/zinc/46/41/25/379464125.db2.gz PZKXBPQZSHYKRD-QGZVFWFLSA-N 2 2 298.434 3.250 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266773743 190279596 /nfs/dbraw/zinc/27/95/96/190279596.db2.gz STWPBBKTABXFMC-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C)[nH+]1 ZINC000639651741 379526455 /nfs/dbraw/zinc/52/64/55/379526455.db2.gz GOBPHDRFTJOPED-LSDHHAIUSA-N 2 2 280.362 3.484 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(C)[nH+]1 ZINC000639651741 379526457 /nfs/dbraw/zinc/52/64/57/379526457.db2.gz GOBPHDRFTJOPED-LSDHHAIUSA-N 2 2 280.362 3.484 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000639674762 379540716 /nfs/dbraw/zinc/54/07/16/379540716.db2.gz PSMNTEUTRGZVSR-IEBWSBKVSA-N 2 2 296.414 3.315 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266895884 190288186 /nfs/dbraw/zinc/28/81/86/190288186.db2.gz FGIUCQWLNFGINV-MRXNPFEDSA-N 2 2 299.418 3.367 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266895884 190288187 /nfs/dbraw/zinc/28/81/87/190288187.db2.gz FGIUCQWLNFGINV-MRXNPFEDSA-N 2 2 299.418 3.367 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000494367589 284792174 /nfs/dbraw/zinc/79/21/74/284792174.db2.gz NLWPRLWQIYIIES-KRWDZBQOSA-N 2 2 290.451 3.086 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc[nH+]1 ZINC000267238191 190314238 /nfs/dbraw/zinc/31/42/38/190314238.db2.gz RIJHTPLWXQVQOA-NVXWUHKLSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc[nH+]1 ZINC000267238191 190314239 /nfs/dbraw/zinc/31/42/39/190314239.db2.gz RIJHTPLWXQVQOA-NVXWUHKLSA-N 2 2 281.403 3.404 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377783554 379740410 /nfs/dbraw/zinc/74/04/10/379740410.db2.gz ONJYKQDUTKFWJS-RUXDESIVSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377783554 379740415 /nfs/dbraw/zinc/74/04/15/379740415.db2.gz ONJYKQDUTKFWJS-RUXDESIVSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C[N@@H+]1C1CC1 ZINC000280855310 379806753 /nfs/dbraw/zinc/80/67/53/379806753.db2.gz MXVZJJXYCYMEBT-SKDZVZGDSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C[N@H+]1C1CC1 ZINC000280855310 379806760 /nfs/dbraw/zinc/80/67/60/379806760.db2.gz MXVZJJXYCYMEBT-SKDZVZGDSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352250591 379758803 /nfs/dbraw/zinc/75/88/03/379758803.db2.gz JJOGSYFGWJLSCB-LBPRGKRZSA-N 2 2 275.421 3.056 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425549 190329337 /nfs/dbraw/zinc/32/93/37/190329337.db2.gz LKHKBIANVRXIMC-ZBFHGGJFSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425549 190329338 /nfs/dbraw/zinc/32/93/38/190329338.db2.gz LKHKBIANVRXIMC-ZBFHGGJFSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000378167951 379787462 /nfs/dbraw/zinc/78/74/62/379787462.db2.gz YOZPXRSIDWDPRF-RHSMWYFYSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000267530565 190336311 /nfs/dbraw/zinc/33/63/11/190336311.db2.gz RVUOMBKWQHZICH-QAPCUYQASA-N 2 2 284.403 3.422 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000267530565 190336312 /nfs/dbraw/zinc/33/63/12/190336312.db2.gz RVUOMBKWQHZICH-QAPCUYQASA-N 2 2 284.403 3.422 20 0 CGADLP CC[NH+](CC)CCSCCc1[nH+]c2ccccc2n1C ZINC000267546879 190337371 /nfs/dbraw/zinc/33/73/71/190337371.db2.gz BVHCXROUAZLSFH-UHFFFAOYSA-N 2 2 291.464 3.191 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000390597417 379907110 /nfs/dbraw/zinc/90/71/10/379907110.db2.gz XKZSDLLBERZIQQ-GOSISDBHSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000390597417 379907116 /nfs/dbraw/zinc/90/71/16/379907116.db2.gz XKZSDLLBERZIQQ-GOSISDBHSA-N 2 2 284.447 3.429 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC(F)(F)F ZINC000402505079 379967575 /nfs/dbraw/zinc/96/75/75/379967575.db2.gz ATUBBZSEKCURDL-WOPDTQHZSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC(F)(F)F ZINC000402505079 379967582 /nfs/dbraw/zinc/96/75/82/379967582.db2.gz ATUBBZSEKCURDL-WOPDTQHZSA-N 2 2 278.362 3.180 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000352822041 379983075 /nfs/dbraw/zinc/98/30/75/379983075.db2.gz IYDUFTRDBHUSMC-DRPJVOAASA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000352822041 379983081 /nfs/dbraw/zinc/98/30/81/379983081.db2.gz IYDUFTRDBHUSMC-DRPJVOAASA-N 2 2 250.430 3.051 20 0 CGADLP c1cc2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)ccc2o1 ZINC000352818600 379978593 /nfs/dbraw/zinc/97/85/93/379978593.db2.gz NVUGOONREAIHPI-UHFFFAOYSA-N 2 2 291.354 3.413 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000352832797 379989576 /nfs/dbraw/zinc/98/95/76/379989576.db2.gz PYUBUCPYSPMVFO-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352832797 379989581 /nfs/dbraw/zinc/98/95/81/379989581.db2.gz PYUBUCPYSPMVFO-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352832797 379989586 /nfs/dbraw/zinc/98/95/86/379989586.db2.gz PYUBUCPYSPMVFO-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352832797 379989592 /nfs/dbraw/zinc/98/95/92/379989592.db2.gz PYUBUCPYSPMVFO-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)[nH]1 ZINC000352853299 380006474 /nfs/dbraw/zinc/00/64/74/380006474.db2.gz LFSGEXSCDBATNQ-SJORKVTESA-N 2 2 281.403 3.393 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068794 /nfs/dbraw/zinc/06/87/94/380068794.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068798 /nfs/dbraw/zinc/06/87/98/380068798.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068802 /nfs/dbraw/zinc/06/88/02/380068802.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995776 380068809 /nfs/dbraw/zinc/06/88/09/380068809.db2.gz NVEPOBHIYDMABD-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000641792549 380105224 /nfs/dbraw/zinc/10/52/24/380105224.db2.gz XBNXHMNURUKBLH-QWRGUYRKSA-N 2 2 279.334 3.485 20 0 CGADLP Clc1cccc2c(N3CC[C@@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643031621 380205495 /nfs/dbraw/zinc/20/54/95/380205495.db2.gz TYMFQQDEGHTXFT-FZMZJTMJSA-N 2 2 287.794 3.076 20 0 CGADLP CC[N@H+](CCCCF)CC1CCN(c2cccc[nH+]2)CC1 ZINC000286373236 380203712 /nfs/dbraw/zinc/20/37/12/380203712.db2.gz JYJNLGYVKOOSNC-UHFFFAOYSA-N 2 2 293.430 3.370 20 0 CGADLP CC[N@@H+](CCCCF)CC1CCN(c2cccc[nH+]2)CC1 ZINC000286373236 380203724 /nfs/dbraw/zinc/20/37/24/380203724.db2.gz JYJNLGYVKOOSNC-UHFFFAOYSA-N 2 2 293.430 3.370 20 0 CGADLP Cc1cc[nH+]c(NCCCCNc2cccc[nH+]2)c1 ZINC000268331417 190395885 /nfs/dbraw/zinc/39/58/85/190395885.db2.gz PZTUDXORTJEAPO-UHFFFAOYSA-N 2 2 256.353 3.089 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000353970681 380257156 /nfs/dbraw/zinc/25/71/56/380257156.db2.gz GEUONIGYQRIHDU-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000353970681 380257164 /nfs/dbraw/zinc/25/71/64/380257164.db2.gz GEUONIGYQRIHDU-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414479430 380257896 /nfs/dbraw/zinc/25/78/96/380257896.db2.gz AVCLYMZDGUJRGR-MOPGFXCFSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000414479430 380257903 /nfs/dbraw/zinc/25/79/03/380257903.db2.gz AVCLYMZDGUJRGR-MOPGFXCFSA-N 2 2 296.414 3.131 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067267 380210998 /nfs/dbraw/zinc/21/09/98/380210998.db2.gz YQHKKBCTFPVRFR-CRAIPNDOSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067267 380211002 /nfs/dbraw/zinc/21/10/02/380211002.db2.gz YQHKKBCTFPVRFR-CRAIPNDOSA-N 2 2 266.388 3.024 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[NH+]2CCC(C)CC2)c[nH+]1 ZINC000353929631 380241125 /nfs/dbraw/zinc/24/11/25/380241125.db2.gz DYUUNHSTEHCLTK-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501308 380321983 /nfs/dbraw/zinc/32/19/83/380321983.db2.gz CKNUVNWMCUQNGX-IIAWOOMASA-N 2 2 258.409 3.275 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C(C)C)cc1 ZINC000643502095 380324495 /nfs/dbraw/zinc/32/44/95/380324495.db2.gz XMTDPXRHFQITFT-DOTOQJQBSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc(C)c1F ZINC000643502115 380324615 /nfs/dbraw/zinc/32/46/15/380324615.db2.gz XOUQNORKXRSUAE-DZGCQCFKSA-N 2 2 264.388 3.235 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000643502062 380325228 /nfs/dbraw/zinc/32/52/28/380325228.db2.gz WUEQKEJYUVRMOW-XJKSGUPXSA-N 2 2 282.378 3.394 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1nccc2ccccc21 ZINC000643502446 380327022 /nfs/dbraw/zinc/32/70/22/380327022.db2.gz GVRBODXTKOWPFD-ZFWWWQNUSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccsc2S1 ZINC000643506544 380328536 /nfs/dbraw/zinc/32/85/36/380328536.db2.gz AMSCPYXDRFCBPZ-JOYOIKCWSA-N 2 2 268.451 3.015 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000643507332 380330359 /nfs/dbraw/zinc/33/03/59/380330359.db2.gz ZPGFLTNEDFWGTF-CYBMUJFWSA-N 2 2 252.427 3.177 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643508840 380332475 /nfs/dbraw/zinc/33/24/75/380332475.db2.gz IDCDSPFAEJSMST-DLBZAZTESA-N 2 2 288.341 3.242 20 0 CGADLP CC[C@@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000354078590 380311685 /nfs/dbraw/zinc/31/16/85/380311685.db2.gz VBUTZTUQJAIEFX-KRWDZBQOSA-N 2 2 269.392 3.494 20 0 CGADLP CC[C@@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000354078590 380311693 /nfs/dbraw/zinc/31/16/93/380311693.db2.gz VBUTZTUQJAIEFX-KRWDZBQOSA-N 2 2 269.392 3.494 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](CO)C2CCCCC2)c[nH+]1 ZINC000354290965 380388452 /nfs/dbraw/zinc/38/84/52/380388452.db2.gz YTPQYNDCLKNARR-GOSISDBHSA-N 2 2 290.451 3.101 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643525325 380340591 /nfs/dbraw/zinc/34/05/91/380340591.db2.gz WZPSPFXGFMHZHW-IAOVAPTHSA-N 2 2 258.409 3.258 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)s1 ZINC000643538116 380355702 /nfs/dbraw/zinc/35/57/02/380355702.db2.gz YXOPMWFTQQCZMU-LPEHRKFASA-N 2 2 276.808 3.142 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643537899 380356290 /nfs/dbraw/zinc/35/62/90/380356290.db2.gz UHAASTZBIJGHOH-RCBQFDQVSA-N 2 2 264.388 3.161 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414657589 380357016 /nfs/dbraw/zinc/35/70/16/380357016.db2.gz HTCILQNLCROHDK-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414657589 380357020 /nfs/dbraw/zinc/35/70/20/380357020.db2.gz HTCILQNLCROHDK-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414812671 380424474 /nfs/dbraw/zinc/42/44/74/380424474.db2.gz LGOPVGOOFFPZQJ-LLVKDONJSA-N 2 2 290.329 3.034 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000414842314 380448204 /nfs/dbraw/zinc/44/82/04/380448204.db2.gz YYHMLASFHYGTJR-QAPCUYQASA-N 2 2 268.404 3.155 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839855 380448571 /nfs/dbraw/zinc/44/85/71/380448571.db2.gz WQONXDYAOOZGHG-CZUORRHYSA-N 2 2 274.433 3.359 20 0 CGADLP CC[C@@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000644564482 380451323 /nfs/dbraw/zinc/45/13/23/380451323.db2.gz YSCOJVILSMWMGQ-DOTOQJQBSA-N 2 2 290.451 3.011 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)nc1 ZINC000414850077 380453355 /nfs/dbraw/zinc/45/33/55/380453355.db2.gz SBDBXRYTEQTGGT-SFHVURJKSA-N 2 2 283.419 3.303 20 0 CGADLP Cc1ccsc1[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354486782 380455875 /nfs/dbraw/zinc/45/58/75/380455875.db2.gz BMIIAPLBBRQOFU-OAHLLOKOSA-N 2 2 290.432 3.016 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)o1)C1(C[NH3+])CCC1 ZINC000414795397 380410630 /nfs/dbraw/zinc/41/06/30/380410630.db2.gz WLIZLGMDYYYIBC-UHFFFAOYSA-N 2 2 270.376 3.260 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1(C[NH3+])CCC1 ZINC000414795397 380410636 /nfs/dbraw/zinc/41/06/36/380410636.db2.gz WLIZLGMDYYYIBC-UHFFFAOYSA-N 2 2 270.376 3.260 20 0 CGADLP CCCOc1ccc(C[NH2+]CC(C)(C)[NH3+])c(OCCC)c1 ZINC000414798821 380412974 /nfs/dbraw/zinc/41/29/74/380412974.db2.gz GAROMPBYARYUTB-UHFFFAOYSA-N 2 2 294.439 3.091 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000414924531 380492177 /nfs/dbraw/zinc/49/21/77/380492177.db2.gz HJLTWMMSQZMOBX-LBPRGKRZSA-N 2 2 272.845 3.269 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000414935059 380494878 /nfs/dbraw/zinc/49/48/78/380494878.db2.gz VWKBOZGRKWBXOB-KRWDZBQOSA-N 2 2 283.419 3.103 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414944175 380499883 /nfs/dbraw/zinc/49/98/83/380499883.db2.gz NRAHWYCOXMMBOP-LBPRGKRZSA-N 2 2 274.339 3.055 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)C1CC1 ZINC000414896964 380478454 /nfs/dbraw/zinc/47/84/54/380478454.db2.gz QIEOJFXOIFDRDF-GOSISDBHSA-N 2 2 296.414 3.093 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCSCC1 ZINC000355120500 380583502 /nfs/dbraw/zinc/58/35/02/380583502.db2.gz KAMUFANLVYTXDF-CZUORRHYSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCSCC1 ZINC000355120500 380583505 /nfs/dbraw/zinc/58/35/05/380583505.db2.gz KAMUFANLVYTXDF-CZUORRHYSA-N 2 2 282.497 3.125 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000417359546 380607604 /nfs/dbraw/zinc/60/76/04/380607604.db2.gz WDXPVWKIVUTNOL-DLBZAZTESA-N 2 2 272.436 3.082 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417369761 380611438 /nfs/dbraw/zinc/61/14/38/380611438.db2.gz SNMPYOXFNCAAMI-IRXDYDNUSA-N 2 2 270.420 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417369761 380611443 /nfs/dbraw/zinc/61/14/43/380611443.db2.gz SNMPYOXFNCAAMI-IRXDYDNUSA-N 2 2 270.420 3.041 20 0 CGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[NH+](C)C ZINC000645406586 380673742 /nfs/dbraw/zinc/67/37/42/380673742.db2.gz ALKHEKUOTKMJEL-WBMJQRKESA-N 2 2 280.843 3.201 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000645893674 380763503 /nfs/dbraw/zinc/76/35/03/380763503.db2.gz TWMJHSRDVPLPES-SFHVURJKSA-N 2 2 298.430 3.282 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355584819 380718825 /nfs/dbraw/zinc/71/88/25/380718825.db2.gz OVJFQQNRAGNWJS-QWHCGFSZSA-N 2 2 275.421 3.460 20 0 CGADLP [NH3+]C1(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC1 ZINC000645823160 380744461 /nfs/dbraw/zinc/74/44/61/380744461.db2.gz AOSPCDLTXFNOCC-UHFFFAOYSA-N 2 2 298.390 3.040 20 0 CGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccco1 ZINC000355775900 380773879 /nfs/dbraw/zinc/77/38/79/380773879.db2.gz QVFRADMUTIELQY-HNNXBMFYSA-N 2 2 299.374 3.103 20 0 CGADLP COc1ccccc1C1([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000646001175 380796089 /nfs/dbraw/zinc/79/60/89/380796089.db2.gz GSAFTNDZNNEKAZ-UHFFFAOYSA-N 2 2 288.435 3.150 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)[N@H+](C)C1CC1 ZINC000421329066 380876589 /nfs/dbraw/zinc/87/65/89/380876589.db2.gz UMZPVOWXCGSCNI-ZDUSSCGKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)[N@@H+](C)C1CC1 ZINC000421329066 380876597 /nfs/dbraw/zinc/87/65/97/380876597.db2.gz UMZPVOWXCGSCNI-ZDUSSCGKSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096266 380833181 /nfs/dbraw/zinc/83/31/81/380833181.db2.gz DWPNZERUGIBPKL-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096266 380833183 /nfs/dbraw/zinc/83/31/83/380833183.db2.gz DWPNZERUGIBPKL-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096266 380833187 /nfs/dbraw/zinc/83/31/87/380833187.db2.gz DWPNZERUGIBPKL-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096266 380833189 /nfs/dbraw/zinc/83/31/89/380833189.db2.gz DWPNZERUGIBPKL-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000356900703 380926579 /nfs/dbraw/zinc/92/65/79/380926579.db2.gz OZVPLATVWFXDNA-AWEZNQCLSA-N 2 2 284.407 3.192 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340926 380882621 /nfs/dbraw/zinc/88/26/21/380882621.db2.gz JCLWBKDESPBOAT-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340926 380882631 /nfs/dbraw/zinc/88/26/31/380882631.db2.gz JCLWBKDESPBOAT-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340926 380882641 /nfs/dbraw/zinc/88/26/41/380882641.db2.gz JCLWBKDESPBOAT-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)[C@@H]2C1 ZINC000421340926 380882651 /nfs/dbraw/zinc/88/26/51/380882651.db2.gz JCLWBKDESPBOAT-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000356863717 380909537 /nfs/dbraw/zinc/90/95/37/380909537.db2.gz BRCJNVHJSYXRDU-AWEZNQCLSA-N 2 2 287.451 3.169 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000360574359 381581664 /nfs/dbraw/zinc/58/16/64/381581664.db2.gz LAPLPOOEMGMSLB-MRXNPFEDSA-N 2 2 287.407 3.023 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC4CCC3CC4)cc2)c[nH+]1 ZINC000362623395 382080185 /nfs/dbraw/zinc/08/01/85/382080185.db2.gz RMAYTDZGHSIQMS-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC4CCC3CC4)cc2)c[nH+]1 ZINC000362623395 382080189 /nfs/dbraw/zinc/08/01/89/382080189.db2.gz RMAYTDZGHSIQMS-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP Fc1cccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000363516440 382229744 /nfs/dbraw/zinc/22/97/44/382229744.db2.gz UNRFUJKMMVBKLK-UHFFFAOYSA-N 2 2 276.399 3.322 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000368584930 382377882 /nfs/dbraw/zinc/37/78/82/382377882.db2.gz OVBOCACRSTWLBS-SJKOYZFVSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000280900898 195022133 /nfs/dbraw/zinc/02/21/33/195022133.db2.gz OIYYZBMLLUVDBQ-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000280900898 195022134 /nfs/dbraw/zinc/02/21/34/195022134.db2.gz OIYYZBMLLUVDBQ-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427854172 533001699 /nfs/dbraw/zinc/00/16/99/533001699.db2.gz PVFDAIPCZGSNAJ-TZMCWYRMSA-N 2 2 287.432 3.271 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000335282663 208095364 /nfs/dbraw/zinc/09/53/64/208095364.db2.gz YUACQXCGUUNJKY-PWSUYJOCSA-N 2 2 293.773 3.341 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358032432 533038757 /nfs/dbraw/zinc/03/87/57/533038757.db2.gz JHBCNQUOEGNLNR-HIFRSBDPSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358032432 533038763 /nfs/dbraw/zinc/03/87/63/533038763.db2.gz JHBCNQUOEGNLNR-HIFRSBDPSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358032432 533038765 /nfs/dbraw/zinc/03/87/65/533038765.db2.gz JHBCNQUOEGNLNR-HIFRSBDPSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358032432 533038754 /nfs/dbraw/zinc/03/87/54/533038754.db2.gz JHBCNQUOEGNLNR-HIFRSBDPSA-N 2 2 278.465 3.323 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000289328161 197299201 /nfs/dbraw/zinc/29/92/01/197299201.db2.gz UNFOBTJYQOEOPX-LJQANCHMSA-N 2 2 280.415 3.470 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000289303993 197290057 /nfs/dbraw/zinc/29/00/57/197290057.db2.gz AKGZURSPLGLUDL-UHFFFAOYSA-N 2 2 260.381 3.176 20 0 CGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[NH+](C)C)c1 ZINC000289191934 197258591 /nfs/dbraw/zinc/25/85/91/197258591.db2.gz GWQQENXREVYBIQ-UHFFFAOYSA-N 2 2 283.419 3.496 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(F)cc1 ZINC000289181069 197256387 /nfs/dbraw/zinc/25/63/87/197256387.db2.gz GCDZZFMGTGLLEN-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000423509304 533111992 /nfs/dbraw/zinc/11/19/92/533111992.db2.gz JKOPYYSCIXWIQP-BZNIZROVSA-N 2 2 280.387 3.002 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423530593 533175068 /nfs/dbraw/zinc/17/50/68/533175068.db2.gz PTZCDSDYBLPCJQ-ZOCIIQOWSA-N 2 2 296.414 3.101 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297659173 542409854 /nfs/dbraw/zinc/40/98/54/542409854.db2.gz NUJPZHRFJQJZKQ-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297659173 542409856 /nfs/dbraw/zinc/40/98/56/542409856.db2.gz NUJPZHRFJQJZKQ-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338690913 285262053 /nfs/dbraw/zinc/26/20/53/285262053.db2.gz VNRMQZHOHMBPCH-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338690913 285262054 /nfs/dbraw/zinc/26/20/54/285262054.db2.gz VNRMQZHOHMBPCH-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000348098798 542514078 /nfs/dbraw/zinc/51/40/78/542514078.db2.gz BQQYXHJLEYACBM-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000348098798 542514082 /nfs/dbraw/zinc/51/40/82/542514082.db2.gz BQQYXHJLEYACBM-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[C@H]3C3CC3)c2)c[nH+]1 ZINC000348103376 542515200 /nfs/dbraw/zinc/51/52/00/542515200.db2.gz PARKJQBHXGBLRC-IRXDYDNUSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000354583736 542563912 /nfs/dbraw/zinc/56/39/12/542563912.db2.gz KFBVRUAHKPOWDW-ZFDZMSFRSA-N 2 2 280.378 3.283 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422933516 533330245 /nfs/dbraw/zinc/33/02/45/533330245.db2.gz DQXQTABVFSUOIV-DOMZBBRYSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558707 533419138 /nfs/dbraw/zinc/41/91/38/533419138.db2.gz GVGVXLLPZZBFFR-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558707 533419142 /nfs/dbraw/zinc/41/91/42/533419142.db2.gz GVGVXLLPZZBFFR-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423231347 533430893 /nfs/dbraw/zinc/43/08/93/533430893.db2.gz ATNZQBMHMRTHBU-BZNIZROVSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)c1ccccc1 ZINC000368102211 533527851 /nfs/dbraw/zinc/52/78/51/533527851.db2.gz NEFQCXGYTWWIDD-UKRRQHHQSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000368102211 533527859 /nfs/dbraw/zinc/52/78/59/533527859.db2.gz NEFQCXGYTWWIDD-UKRRQHHQSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423553018 533518648 /nfs/dbraw/zinc/51/86/48/533518648.db2.gz JYEGQDDLPNAAGO-ZYHUDNBSSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](C)c1nc2ccccc2s1 ZINC000423303647 533542319 /nfs/dbraw/zinc/54/23/19/533542319.db2.gz MFSARDJXZZVOOK-UPJWGTAASA-N 2 2 289.448 3.130 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414192046 533548365 /nfs/dbraw/zinc/54/83/65/533548365.db2.gz LUWUFRXVJBYHBK-HSMVNMDESA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414192046 533548369 /nfs/dbraw/zinc/54/83/69/533548369.db2.gz LUWUFRXVJBYHBK-HSMVNMDESA-N 2 2 278.827 3.473 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccsc2)C1 ZINC000389130383 542607236 /nfs/dbraw/zinc/60/72/36/542607236.db2.gz DZRMUOYUHHDENB-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccsc2)C1 ZINC000389130383 542607237 /nfs/dbraw/zinc/60/72/37/542607237.db2.gz DZRMUOYUHHDENB-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000389227765 542607510 /nfs/dbraw/zinc/60/75/10/542607510.db2.gz HVJPCQJYSKEGFV-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000389227765 542607513 /nfs/dbraw/zinc/60/75/13/542607513.db2.gz HVJPCQJYSKEGFV-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869229 542609995 /nfs/dbraw/zinc/60/99/95/542609995.db2.gz OGHMPAYKYQIEBU-DNVCBOLYSA-N 2 2 296.414 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869229 542610000 /nfs/dbraw/zinc/61/00/00/542610000.db2.gz OGHMPAYKYQIEBU-DNVCBOLYSA-N 2 2 296.414 3.002 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000389790474 542610241 /nfs/dbraw/zinc/61/02/41/542610241.db2.gz PLOWQDHFBFUHPP-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000389790474 542610246 /nfs/dbraw/zinc/61/02/46/542610246.db2.gz PLOWQDHFBFUHPP-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000391132587 542612310 /nfs/dbraw/zinc/61/23/10/542612310.db2.gz HBELIAWFQFWUAZ-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000391132587 542612313 /nfs/dbraw/zinc/61/23/13/542612313.db2.gz HBELIAWFQFWUAZ-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)CCC2 ZINC000361665173 392290254 /nfs/dbraw/zinc/29/02/54/392290254.db2.gz VDRAPDNZSYTUOH-NFAWXSAZSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966987 392377700 /nfs/dbraw/zinc/37/77/00/392377700.db2.gz IHMBFFYJEBOEHT-VCBZYWHSSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966987 392377706 /nfs/dbraw/zinc/37/77/06/392377706.db2.gz IHMBFFYJEBOEHT-VCBZYWHSSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000289582622 392424080 /nfs/dbraw/zinc/42/40/80/392424080.db2.gz HKVAITPFTJXPHT-CYBMUJFWSA-N 2 2 291.826 3.179 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289582622 392424083 /nfs/dbraw/zinc/42/40/83/392424083.db2.gz HKVAITPFTJXPHT-CYBMUJFWSA-N 2 2 291.826 3.179 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000126551649 392442727 /nfs/dbraw/zinc/44/27/27/392442727.db2.gz QNLUUSIECINDSQ-ZDUSSCGKSA-N 2 2 292.448 3.130 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000126551649 392442733 /nfs/dbraw/zinc/44/27/33/392442733.db2.gz QNLUUSIECINDSQ-ZDUSSCGKSA-N 2 2 292.448 3.130 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000120130420 392398656 /nfs/dbraw/zinc/39/86/56/392398656.db2.gz VSSLISJPYZPADA-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000120130420 392398659 /nfs/dbraw/zinc/39/86/59/392398659.db2.gz VSSLISJPYZPADA-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C)cc1 ZINC000368001677 392484835 /nfs/dbraw/zinc/48/48/35/392484835.db2.gz ZJAGQQOAQQDPSU-CABCVRRESA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C)cc1 ZINC000368001677 392484839 /nfs/dbraw/zinc/48/48/39/392484839.db2.gz ZJAGQQOAQQDPSU-CABCVRRESA-N 2 2 269.392 3.316 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000151889963 392487624 /nfs/dbraw/zinc/48/76/24/392487624.db2.gz VPUZHYCTNFMNTJ-FUHWJXTLSA-N 2 2 289.467 3.462 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000151889963 392487628 /nfs/dbraw/zinc/48/76/28/392487628.db2.gz VPUZHYCTNFMNTJ-FUHWJXTLSA-N 2 2 289.467 3.462 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947280 392490228 /nfs/dbraw/zinc/49/02/28/392490228.db2.gz PSTQBLIHWIKCHP-USXIJHARSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947280 392490238 /nfs/dbraw/zinc/49/02/38/392490238.db2.gz PSTQBLIHWIKCHP-USXIJHARSA-N 2 2 290.451 3.465 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000368585406 392493051 /nfs/dbraw/zinc/49/30/51/392493051.db2.gz QRIGTSCDTVMCFF-YVEFUNNKSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000152048616 392495236 /nfs/dbraw/zinc/49/52/36/392495236.db2.gz RGIYOAXCCFTOSG-RHSMWYFYSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158500414 392568508 /nfs/dbraw/zinc/56/85/08/392568508.db2.gz YZYMITNTKWBZJB-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158500414 392568515 /nfs/dbraw/zinc/56/85/15/392568515.db2.gz YZYMITNTKWBZJB-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158500414 392568519 /nfs/dbraw/zinc/56/85/19/392568519.db2.gz YZYMITNTKWBZJB-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158500414 392568523 /nfs/dbraw/zinc/56/85/23/392568523.db2.gz YZYMITNTKWBZJB-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000297509690 392568576 /nfs/dbraw/zinc/56/85/76/392568576.db2.gz CNAGYXQLESTEGJ-CQDKDKBSSA-N 2 2 264.438 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000297509690 392568578 /nfs/dbraw/zinc/56/85/78/392568578.db2.gz CNAGYXQLESTEGJ-CQDKDKBSSA-N 2 2 264.438 3.272 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(C)cc1 ZINC000163290306 392604753 /nfs/dbraw/zinc/60/47/53/392604753.db2.gz WTHIOKVHSBFKCB-ROUUACIJSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(C)cc1 ZINC000163290306 392604759 /nfs/dbraw/zinc/60/47/59/392604759.db2.gz WTHIOKVHSBFKCB-ROUUACIJSA-N 2 2 290.451 3.147 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000327586697 392672353 /nfs/dbraw/zinc/67/23/53/392672353.db2.gz GGIIMMQLCTZHJT-JKSUJKDBSA-N 2 2 278.465 3.165 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592191 392681624 /nfs/dbraw/zinc/68/16/24/392681624.db2.gz GFTTZLXHZPBXHF-YJBOKZPZSA-N 2 2 299.418 3.365 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592191 392681629 /nfs/dbraw/zinc/68/16/29/392681629.db2.gz GFTTZLXHZPBXHF-YJBOKZPZSA-N 2 2 299.418 3.365 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccoc1)CCC2 ZINC000374574468 392681774 /nfs/dbraw/zinc/68/17/74/392681774.db2.gz HOWWZOIPSUFMQJ-STQMWFEESA-N 2 2 259.353 3.013 20 0 CGADLP Cc1cncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC000372622554 392624362 /nfs/dbraw/zinc/62/43/62/392624362.db2.gz VXYNBXAQRPVIAY-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC000372622554 392624368 /nfs/dbraw/zinc/62/43/68/392624368.db2.gz VXYNBXAQRPVIAY-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC000647316135 392662001 /nfs/dbraw/zinc/66/20/01/392662001.db2.gz RQFIOHGCENEGIH-UHFFFAOYSA-N 2 2 278.827 3.403 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1C ZINC000647553890 392767451 /nfs/dbraw/zinc/76/74/51/392767451.db2.gz MHLCYXIQCJHHAJ-MRXNPFEDSA-N 2 2 258.409 3.068 20 0 CGADLP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553862 392767564 /nfs/dbraw/zinc/76/75/64/392767564.db2.gz LHDCNUDXRSZOTR-AWEZNQCLSA-N 2 2 291.464 3.175 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(C)s1 ZINC000647553779 392767615 /nfs/dbraw/zinc/76/76/15/392767615.db2.gz JGIULYMMRVNGIJ-AWEZNQCLSA-N 2 2 264.438 3.129 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482422 392736502 /nfs/dbraw/zinc/73/65/02/392736502.db2.gz DNZCKYBNVSCKLB-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482422 392736506 /nfs/dbraw/zinc/73/65/06/392736506.db2.gz DNZCKYBNVSCKLB-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000484288546 542707615 /nfs/dbraw/zinc/70/76/15/542707615.db2.gz AWVPYVCGLRKTRS-WQVCFCJDSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000484288546 542707619 /nfs/dbraw/zinc/70/76/19/542707619.db2.gz AWVPYVCGLRKTRS-WQVCFCJDSA-N 2 2 278.415 3.453 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cscc1Cl ZINC000647506256 392744697 /nfs/dbraw/zinc/74/46/97/392744697.db2.gz ZEPWTMMSTIFRHK-LBPRGKRZSA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cscc1Cl ZINC000647506256 392744700 /nfs/dbraw/zinc/74/47/00/392744700.db2.gz ZEPWTMMSTIFRHK-LBPRGKRZSA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554214 392769156 /nfs/dbraw/zinc/76/91/56/392769156.db2.gz UDQNMPCRCPSUAW-CQSZACIVSA-N 2 2 293.480 3.106 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC000647533226 392753958 /nfs/dbraw/zinc/75/39/58/392753958.db2.gz NJZCBKBRWKOUHX-RDTXWAMCSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC000647533226 392753962 /nfs/dbraw/zinc/75/39/62/392753962.db2.gz NJZCBKBRWKOUHX-RDTXWAMCSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC34CCC4)cn21 ZINC000647364414 392707729 /nfs/dbraw/zinc/70/77/29/392707729.db2.gz ZVSOFENUIBQSEV-MRXNPFEDSA-N 2 2 283.419 3.498 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793358 392798734 /nfs/dbraw/zinc/79/87/34/392798734.db2.gz UVPOTIQERWYUCH-OJLVUWQFSA-N 2 2 258.409 3.383 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[NH+](C)C ZINC000510733281 392811236 /nfs/dbraw/zinc/81/12/36/392811236.db2.gz KCYPZOSIARCLSS-OAGGEKHMSA-N 2 2 272.452 3.471 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1[nH+]ccc2[nH]ccc21 ZINC000647850527 392813722 /nfs/dbraw/zinc/81/37/22/392813722.db2.gz PGQGVXVHPOPJGN-UHFFFAOYSA-N 2 2 291.358 3.333 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000375929837 392843180 /nfs/dbraw/zinc/84/31/80/392843180.db2.gz FWUFJSOOAQESAU-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000375929837 392843182 /nfs/dbraw/zinc/84/31/82/392843182.db2.gz FWUFJSOOAQESAU-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3[nH+]ccn32)CC2(CCCC2)O1 ZINC000191225241 392826985 /nfs/dbraw/zinc/82/69/85/392826985.db2.gz FCDQEIYUOYHVMA-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3[nH+]ccn32)CC2(CCCC2)O1 ZINC000191225241 392826992 /nfs/dbraw/zinc/82/69/92/392826992.db2.gz FCDQEIYUOYHVMA-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000378010122 392892375 /nfs/dbraw/zinc/89/23/75/392892375.db2.gz SULCBTBVXKNYMV-GOEBONIOSA-N 2 2 299.418 3.428 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCC[C@@H]2C2CCC2)[nH+]1 ZINC000648077788 392909326 /nfs/dbraw/zinc/90/93/26/392909326.db2.gz IDXKEYRPXCFCRX-MRXNPFEDSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCC[C@@H]2C2CCC2)[nH+]1 ZINC000648077788 392909333 /nfs/dbraw/zinc/90/93/33/392909333.db2.gz IDXKEYRPXCFCRX-MRXNPFEDSA-N 2 2 269.392 3.489 20 0 CGADLP c1nc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)co1 ZINC000192312489 392847488 /nfs/dbraw/zinc/84/74/88/392847488.db2.gz DXCOEYNPLVKTEL-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000192390493 392849106 /nfs/dbraw/zinc/84/91/06/392849106.db2.gz CTFGVKCZQBFVNV-GOEBONIOSA-N 2 2 287.451 3.465 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396768 392883510 /nfs/dbraw/zinc/88/35/10/392883510.db2.gz PUHHURZGIAIPLE-LSDHHAIUSA-N 2 2 275.440 3.445 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396768 392883514 /nfs/dbraw/zinc/88/35/14/392883514.db2.gz PUHHURZGIAIPLE-LSDHHAIUSA-N 2 2 275.440 3.445 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691527 542732950 /nfs/dbraw/zinc/73/29/50/542732950.db2.gz VFQONNKKRRJOBE-QZTJIDSGSA-N 2 2 283.419 3.456 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219803331 393002826 /nfs/dbraw/zinc/00/28/26/393002826.db2.gz HCCPDTJPUOMUMN-FUHWJXTLSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219803331 393002831 /nfs/dbraw/zinc/00/28/31/393002831.db2.gz HCCPDTJPUOMUMN-FUHWJXTLSA-N 2 2 266.388 3.024 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000220747102 393004840 /nfs/dbraw/zinc/00/48/40/393004840.db2.gz QKQMYDCLEOWSSO-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000220747102 393004848 /nfs/dbraw/zinc/00/48/48/393004848.db2.gz QKQMYDCLEOWSSO-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1cccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1C ZINC000545857533 393010985 /nfs/dbraw/zinc/01/09/85/393010985.db2.gz XZRYJHRBLICSBO-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1cccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1C ZINC000545857533 393010992 /nfs/dbraw/zinc/01/09/92/393010992.db2.gz XZRYJHRBLICSBO-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000648450115 393023525 /nfs/dbraw/zinc/02/35/25/393023525.db2.gz VHGQYZSOLNTQSR-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000648450115 393023533 /nfs/dbraw/zinc/02/35/33/393023533.db2.gz VHGQYZSOLNTQSR-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000343317196 393026069 /nfs/dbraw/zinc/02/60/69/393026069.db2.gz CZYSIWADSNFERF-UHFFFAOYSA-N 2 2 271.408 3.431 20 0 CGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000343317196 393026075 /nfs/dbraw/zinc/02/60/75/393026075.db2.gz CZYSIWADSNFERF-UHFFFAOYSA-N 2 2 271.408 3.431 20 0 CGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000546230168 393040652 /nfs/dbraw/zinc/04/06/52/393040652.db2.gz XRJZMUHRSLZMLA-MRXNPFEDSA-N 2 2 260.425 3.440 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770501 393055135 /nfs/dbraw/zinc/05/51/35/393055135.db2.gz YDKXDFKIZKHELA-CHWSQXEVSA-N 2 2 292.389 3.414 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770501 393055140 /nfs/dbraw/zinc/05/51/40/393055140.db2.gz YDKXDFKIZKHELA-CHWSQXEVSA-N 2 2 292.389 3.414 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[NH2+]1 ZINC000414949275 393058559 /nfs/dbraw/zinc/05/85/59/393058559.db2.gz NKKLOOVZTYIUSX-MNOVXSKESA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414950069 393059164 /nfs/dbraw/zinc/05/91/64/393059164.db2.gz HEAZPYKSFPITSS-YOEHRIQHSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648485815 393059721 /nfs/dbraw/zinc/05/97/21/393059721.db2.gz JLSNQGKNCLGEPM-LJQANCHMSA-N 2 2 280.415 3.470 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414953255 393060304 /nfs/dbraw/zinc/06/03/04/393060304.db2.gz JNAHMSTXVAGUEH-LLVKDONJSA-N 2 2 274.330 3.101 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415037633 393107092 /nfs/dbraw/zinc/10/70/92/393107092.db2.gz GWTBQKMYJDNOEV-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415037633 393107098 /nfs/dbraw/zinc/10/70/98/393107098.db2.gz GWTBQKMYJDNOEV-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000414986444 393080965 /nfs/dbraw/zinc/08/09/65/393080965.db2.gz HHLZYOKVARDJNM-FMKPAKJESA-N 2 2 282.378 3.069 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864014 393110414 /nfs/dbraw/zinc/11/04/14/393110414.db2.gz XQPUSWPPURDYFM-OLZOCXBDSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864014 393110417 /nfs/dbraw/zinc/11/04/17/393110417.db2.gz XQPUSWPPURDYFM-OLZOCXBDSA-N 2 2 281.469 3.215 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)cc1 ZINC000415068647 393125925 /nfs/dbraw/zinc/12/59/25/393125925.db2.gz RNNOKNGKUBTYHK-IBGZPJMESA-N 2 2 298.430 3.437 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415069341 393127996 /nfs/dbraw/zinc/12/79/96/393127996.db2.gz SDBWERWZUKFMSV-WBVHZDCISA-N 2 2 278.440 3.044 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415069340 393128816 /nfs/dbraw/zinc/12/88/16/393128816.db2.gz SDBWERWZUKFMSV-RDJZCZTQSA-N 2 2 278.440 3.044 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1C ZINC000415072648 393129581 /nfs/dbraw/zinc/12/95/81/393129581.db2.gz YJKDDHCDBVKCNJ-SFHVURJKSA-N 2 2 268.404 3.347 20 0 CGADLP CCc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)s1 ZINC000415073543 393129863 /nfs/dbraw/zinc/12/98/63/393129863.db2.gz ZLZQKZODAFRQBO-OAHLLOKOSA-N 2 2 289.448 3.058 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(OC)c1 ZINC000415073875 393130027 /nfs/dbraw/zinc/13/00/27/393130027.db2.gz ZYTOSJYGDYXVRA-GOSISDBHSA-N 2 2 284.403 3.047 20 0 CGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000415079246 393132242 /nfs/dbraw/zinc/13/22/42/393132242.db2.gz HUMHPUHRFVCAHX-NJAFHUGGSA-N 2 2 294.398 3.203 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415076214 393132520 /nfs/dbraw/zinc/13/25/20/393132520.db2.gz RRVRXYLDSLGTJM-AWEZNQCLSA-N 2 2 264.438 3.030 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC1CCC1 ZINC000415092034 393142454 /nfs/dbraw/zinc/14/24/54/393142454.db2.gz RXIFSPWWQANZOZ-OAHLLOKOSA-N 2 2 276.424 3.081 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500166 393222900 /nfs/dbraw/zinc/22/29/00/393222900.db2.gz WSYJUNYBNCPIQH-GDBMZVCRSA-N 2 2 292.471 3.351 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500166 393222903 /nfs/dbraw/zinc/22/29/03/393222903.db2.gz WSYJUNYBNCPIQH-GDBMZVCRSA-N 2 2 292.471 3.351 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025602 393237111 /nfs/dbraw/zinc/23/71/11/393237111.db2.gz GPGZTLHWKFKZLO-NCRRVARUSA-N 2 2 280.371 3.248 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025602 393237118 /nfs/dbraw/zinc/23/71/18/393237118.db2.gz GPGZTLHWKFKZLO-NCRRVARUSA-N 2 2 280.371 3.248 20 0 CGADLP Cc1ccc([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)c(C)c1 ZINC000270842177 393239794 /nfs/dbraw/zinc/23/97/94/393239794.db2.gz NVDXUSCFVZDYFN-OAHLLOKOSA-N 2 2 257.381 3.193 20 0 CGADLP Cc1ccc([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2)c(C)c1 ZINC000270842177 393239796 /nfs/dbraw/zinc/23/97/96/393239796.db2.gz NVDXUSCFVZDYFN-OAHLLOKOSA-N 2 2 257.381 3.193 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000353208122 393215490 /nfs/dbraw/zinc/21/54/90/393215490.db2.gz JWGMOCVWVYPTLJ-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000353208122 393215496 /nfs/dbraw/zinc/21/54/96/393215496.db2.gz JWGMOCVWVYPTLJ-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP COCCCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000355287062 393292902 /nfs/dbraw/zinc/29/29/02/393292902.db2.gz HYYPPCZEKJZZHW-INIZCTEOSA-N 2 2 273.380 3.057 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)c[nH+]1 ZINC000649287270 393392311 /nfs/dbraw/zinc/39/23/11/393392311.db2.gz YVCYSWHKRMTODI-HWOWSKLDSA-N 2 2 259.397 3.100 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)c[nH+]1 ZINC000649287270 393392316 /nfs/dbraw/zinc/39/23/16/393392316.db2.gz YVCYSWHKRMTODI-HWOWSKLDSA-N 2 2 259.397 3.100 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)Cc2ccccc2C1 ZINC000474034310 393337494 /nfs/dbraw/zinc/33/74/94/393337494.db2.gz PGZZXSIVCDELIN-GOSISDBHSA-N 2 2 298.474 3.398 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000417351339 393348481 /nfs/dbraw/zinc/34/84/81/393348481.db2.gz CIJDFRZDPMNFRV-AWEZNQCLSA-N 2 2 264.800 3.011 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419361127 393369298 /nfs/dbraw/zinc/36/92/98/393369298.db2.gz SQVUPKMZQAPYTG-QXSJWSMHSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419361127 393369302 /nfs/dbraw/zinc/36/93/02/393369302.db2.gz SQVUPKMZQAPYTG-QXSJWSMHSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419361127 393369307 /nfs/dbraw/zinc/36/93/07/393369307.db2.gz SQVUPKMZQAPYTG-QXSJWSMHSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419361127 393369310 /nfs/dbraw/zinc/36/93/10/393369310.db2.gz SQVUPKMZQAPYTG-QXSJWSMHSA-N 2 2 252.446 3.226 20 0 CGADLP CSc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)s1 ZINC000356312320 393417607 /nfs/dbraw/zinc/41/76/07/393417607.db2.gz BZQGHSZQLIJEBL-UHFFFAOYSA-N 2 2 284.494 3.388 20 0 CGADLP CSc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)s1 ZINC000356312320 393417610 /nfs/dbraw/zinc/41/76/10/393417610.db2.gz BZQGHSZQLIJEBL-UHFFFAOYSA-N 2 2 284.494 3.388 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@H]3CC=CCC3)cn21 ZINC000647262306 393421035 /nfs/dbraw/zinc/42/10/35/393421035.db2.gz SACWLWIBABJVFA-HNNXBMFYSA-N 2 2 269.392 3.131 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000356350013 393425543 /nfs/dbraw/zinc/42/55/43/393425543.db2.gz XDOFTKJWZNGXLS-NUEKZKHPSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000356350013 393425546 /nfs/dbraw/zinc/42/55/46/393425546.db2.gz XDOFTKJWZNGXLS-NUEKZKHPSA-N 2 2 273.424 3.202 20 0 CGADLP CCCOc1cccc2c(NC[C@H]([NH3+])C3CC3)cc[nH+]c12 ZINC000420218827 393439244 /nfs/dbraw/zinc/43/92/44/393439244.db2.gz PAWXYLWDXNQDQY-AWEZNQCLSA-N 2 2 285.391 3.173 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000420285661 393450079 /nfs/dbraw/zinc/45/00/79/393450079.db2.gz FJRVCNYTHIORLS-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000420285661 393450082 /nfs/dbraw/zinc/45/00/82/393450082.db2.gz FJRVCNYTHIORLS-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP FC(F)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420304899 393458280 /nfs/dbraw/zinc/45/82/80/393458280.db2.gz OWVQRPROTDKTBJ-AWEZNQCLSA-N 2 2 282.378 3.143 20 0 CGADLP FC(F)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420304899 393458285 /nfs/dbraw/zinc/45/82/85/393458285.db2.gz OWVQRPROTDKTBJ-AWEZNQCLSA-N 2 2 282.378 3.143 20 0 CGADLP C[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000420399465 393482806 /nfs/dbraw/zinc/48/28/06/393482806.db2.gz HYKAJOOKPGPMGH-JSGCOSHPSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000420399465 393482810 /nfs/dbraw/zinc/48/28/10/393482810.db2.gz HYKAJOOKPGPMGH-JSGCOSHPSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365782 393476951 /nfs/dbraw/zinc/47/69/51/393476951.db2.gz LPFSHMXFIFEVCZ-UHIISALHSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3)n2c1 ZINC000647248470 393410442 /nfs/dbraw/zinc/41/04/42/393410442.db2.gz ZMMGSSMQOIXWRD-OTVXOJSOSA-N 2 2 287.407 3.078 20 0 CGADLP Fc1ccc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)[nH]c2c1 ZINC000488327780 393488465 /nfs/dbraw/zinc/48/84/65/393488465.db2.gz MSQMHOOMBQOQMT-UHFFFAOYSA-N 2 2 298.365 3.410 20 0 CGADLP C[N@H+](CC[NH+]1CCC[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700274 393496324 /nfs/dbraw/zinc/49/63/24/393496324.db2.gz ZJDSZGROBCZIQI-ROUUACIJSA-N 2 2 272.436 3.383 20 0 CGADLP C[N@@H+](CC[NH+]1CCC[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700274 393496328 /nfs/dbraw/zinc/49/63/28/393496328.db2.gz ZJDSZGROBCZIQI-ROUUACIJSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700274 393496334 /nfs/dbraw/zinc/49/63/34/393496334.db2.gz ZJDSZGROBCZIQI-ROUUACIJSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@H+]1CCC[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700274 393496338 /nfs/dbraw/zinc/49/63/38/393496338.db2.gz ZJDSZGROBCZIQI-ROUUACIJSA-N 2 2 272.436 3.383 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488404535 393500497 /nfs/dbraw/zinc/50/04/97/393500497.db2.gz GHBLDYQPCBDFSD-RBSFLKMASA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488404535 393500503 /nfs/dbraw/zinc/50/05/03/393500503.db2.gz GHBLDYQPCBDFSD-RBSFLKMASA-N 2 2 284.513 3.228 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@H](C3CCC3)C2)c[nH+]1 ZINC000430148973 393530001 /nfs/dbraw/zinc/53/00/01/393530001.db2.gz UVENGNOLCUWKQW-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOC[C@H](C3CCC3)C2)c[nH+]1 ZINC000430148973 393530005 /nfs/dbraw/zinc/53/00/05/393530005.db2.gz UVENGNOLCUWKQW-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000488557256 393537843 /nfs/dbraw/zinc/53/78/43/393537843.db2.gz JKRRFTNLPKKULU-KGLIPLIRSA-N 2 2 293.480 3.393 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000360574201 393570766 /nfs/dbraw/zinc/57/07/66/393570766.db2.gz JZLCRPVGZYNPRU-ZFWWWQNUSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000360574201 393570770 /nfs/dbraw/zinc/57/07/70/393570770.db2.gz JZLCRPVGZYNPRU-ZFWWWQNUSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+](C)C ZINC000489022188 393571809 /nfs/dbraw/zinc/57/18/09/393571809.db2.gz GGZUAZMLPUAJFU-NSHDSACASA-N 2 2 277.799 3.498 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000430605341 393580595 /nfs/dbraw/zinc/58/05/95/393580595.db2.gz SHQVMAJUMUUDCY-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000430605341 393580604 /nfs/dbraw/zinc/58/06/04/393580604.db2.gz SHQVMAJUMUUDCY-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424379 393612918 /nfs/dbraw/zinc/61/29/18/393612918.db2.gz ONVOKLIIINVWNO-DXCHVLGVSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424379 393612920 /nfs/dbraw/zinc/61/29/20/393612920.db2.gz ONVOKLIIINVWNO-DXCHVLGVSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCCF)C1 ZINC000361003982 393636690 /nfs/dbraw/zinc/63/66/90/393636690.db2.gz PVWCZNODNRFOQU-HOCLYGCPSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCCF)C1 ZINC000361003982 393636694 /nfs/dbraw/zinc/63/66/94/393636694.db2.gz PVWCZNODNRFOQU-HOCLYGCPSA-N 2 2 264.388 3.161 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000432789445 393639668 /nfs/dbraw/zinc/63/96/68/393639668.db2.gz SACDDPBWMITXDW-OICCZTGUSA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000432789445 393639674 /nfs/dbraw/zinc/63/96/74/393639674.db2.gz SACDDPBWMITXDW-OICCZTGUSA-N 2 2 294.389 3.394 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751732 393641849 /nfs/dbraw/zinc/64/18/49/393641849.db2.gz ABXXVUQIFNBNQS-VQISRLSMSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc2c(c1)CCCC2)Cn1cc[nH+]c1 ZINC000490766775 393655188 /nfs/dbraw/zinc/65/51/88/393655188.db2.gz DUWTXWFFPCIOPL-OAHLLOKOSA-N 2 2 283.419 3.188 20 0 CGADLP c1cn(CCCC2CC[NH+]([C@@H]3C=CCCC3)CC2)c[nH+]1 ZINC000361074448 393665626 /nfs/dbraw/zinc/66/56/26/393665626.db2.gz QLBAMBGNHUASGQ-QGZVFWFLSA-N 2 2 273.424 3.484 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[NH+]1CCCC1 ZINC000361078447 393667570 /nfs/dbraw/zinc/66/75/70/393667570.db2.gz HQGWIEBJOCVTKK-PBHICJAKSA-N 2 2 288.435 3.234 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442726369 393739369 /nfs/dbraw/zinc/73/93/69/393739369.db2.gz SMJUVISWSSQKCA-HSBZDZAISA-N 2 2 274.399 3.274 20 0 CGADLP CC1(C)CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000433154937 393691862 /nfs/dbraw/zinc/69/18/62/393691862.db2.gz VQGWBBCZTVQDPW-UHFFFAOYSA-N 2 2 283.419 3.252 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000443645491 393769525 /nfs/dbraw/zinc/76/95/25/393769525.db2.gz VJACGFGRECWUKB-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000443645491 393769528 /nfs/dbraw/zinc/76/95/28/393769528.db2.gz VJACGFGRECWUKB-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494619101 393776339 /nfs/dbraw/zinc/77/63/39/393776339.db2.gz UAHKREWPKNYMFL-QSPRXWTASA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494619101 393776341 /nfs/dbraw/zinc/77/63/41/393776341.db2.gz UAHKREWPKNYMFL-QSPRXWTASA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(F)c1 ZINC000446941165 393864157 /nfs/dbraw/zinc/86/41/57/393864157.db2.gz YLRUFJCBZDQBPJ-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(F)c1 ZINC000446941165 393864159 /nfs/dbraw/zinc/86/41/59/393864159.db2.gz YLRUFJCBZDQBPJ-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449352586 393879543 /nfs/dbraw/zinc/87/95/43/393879543.db2.gz VPGBZDYWOGSLBO-OCBCSQNSSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449352586 393879545 /nfs/dbraw/zinc/87/95/45/393879545.db2.gz VPGBZDYWOGSLBO-OCBCSQNSSA-N 2 2 288.410 3.275 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000502919175 393887446 /nfs/dbraw/zinc/88/74/46/393887446.db2.gz LSWBEKSDWURMFP-WMZOPIPTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000502919175 393887449 /nfs/dbraw/zinc/88/74/49/393887449.db2.gz LSWBEKSDWURMFP-WMZOPIPTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502919175 393887455 /nfs/dbraw/zinc/88/74/55/393887455.db2.gz LSWBEKSDWURMFP-WMZOPIPTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000502919175 393887460 /nfs/dbraw/zinc/88/74/60/393887460.db2.gz LSWBEKSDWURMFP-WMZOPIPTSA-N 2 2 290.426 3.350 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561846 393905021 /nfs/dbraw/zinc/90/50/21/393905021.db2.gz YGLSKVAVLFOPRF-GOOCMWNKSA-N 2 2 276.399 3.103 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561846 393905024 /nfs/dbraw/zinc/90/50/24/393905024.db2.gz YGLSKVAVLFOPRF-GOOCMWNKSA-N 2 2 276.399 3.103 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666996925 542833830 /nfs/dbraw/zinc/83/38/30/542833830.db2.gz MDGIADGYRLJZNN-CYBMUJFWSA-N 2 2 282.790 3.243 20 0 CGADLP C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C[C@H]1n1cc[nH+]c1 ZINC000450596300 394027154 /nfs/dbraw/zinc/02/71/54/394027154.db2.gz SRSIGOJDYPKMSU-KZYLPZIUSA-N 2 2 273.424 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C[C@H]1n1cc[nH+]c1 ZINC000450596300 394027158 /nfs/dbraw/zinc/02/71/58/394027158.db2.gz SRSIGOJDYPKMSU-KZYLPZIUSA-N 2 2 273.424 3.346 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)n1C ZINC000667482094 542874027 /nfs/dbraw/zinc/87/40/27/542874027.db2.gz RRSONEITYRUEAM-QGZVFWFLSA-N 2 2 269.392 3.238 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)n1C ZINC000667482094 542874030 /nfs/dbraw/zinc/87/40/30/542874030.db2.gz RRSONEITYRUEAM-QGZVFWFLSA-N 2 2 269.392 3.238 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000450780696 394035680 /nfs/dbraw/zinc/03/56/80/394035680.db2.gz QZFYYEXMHPAREN-OAGGEKHMSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000450780696 394035683 /nfs/dbraw/zinc/03/56/83/394035683.db2.gz QZFYYEXMHPAREN-OAGGEKHMSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000450780696 394035690 /nfs/dbraw/zinc/03/56/90/394035690.db2.gz QZFYYEXMHPAREN-OAGGEKHMSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000450780696 394035694 /nfs/dbraw/zinc/03/56/94/394035694.db2.gz QZFYYEXMHPAREN-OAGGEKHMSA-N 2 2 250.430 3.124 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC000453101484 394171320 /nfs/dbraw/zinc/17/13/20/394171320.db2.gz YHAJKEFIFMUUCP-GOEBONIOSA-N 2 2 296.480 3.064 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285304 394223291 /nfs/dbraw/zinc/22/32/91/394223291.db2.gz MHKDPIOLWUHHIW-VOAKCMCISA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285304 394223292 /nfs/dbraw/zinc/22/32/92/394223292.db2.gz MHKDPIOLWUHHIW-VOAKCMCISA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453463959 394247678 /nfs/dbraw/zinc/24/76/78/394247678.db2.gz XTSAQMKANOCPRR-LUYZLQTOSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000453463959 394247684 /nfs/dbraw/zinc/24/76/84/394247684.db2.gz XTSAQMKANOCPRR-LUYZLQTOSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2cccc(F)c2)C2CC2)n1C ZINC000667498592 542878720 /nfs/dbraw/zinc/87/87/20/542878720.db2.gz OLAFWKUUECWORC-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)n1C ZINC000667498592 542878722 /nfs/dbraw/zinc/87/87/22/542878722.db2.gz OLAFWKUUECWORC-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP c1cc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cs1 ZINC000667503154 542879841 /nfs/dbraw/zinc/87/98/41/542879841.db2.gz AWSAQOYVIPCKJU-AWEZNQCLSA-N 2 2 273.405 3.228 20 0 CGADLP c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cs1 ZINC000667503154 542879843 /nfs/dbraw/zinc/87/98/43/542879843.db2.gz AWSAQOYVIPCKJU-AWEZNQCLSA-N 2 2 273.405 3.228 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1F ZINC000667587544 542893944 /nfs/dbraw/zinc/89/39/44/542893944.db2.gz WLOLFVDWVKFERM-LBPRGKRZSA-N 2 2 295.308 3.138 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)CCCCc2ccccc2)n1C ZINC000667532180 542884734 /nfs/dbraw/zinc/88/47/34/542884734.db2.gz DDESELZXKDTJOM-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)CCCCc2ccccc2)n1C ZINC000667532180 542884736 /nfs/dbraw/zinc/88/47/36/542884736.db2.gz DDESELZXKDTJOM-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000667531305 542884842 /nfs/dbraw/zinc/88/48/42/542884842.db2.gz AFSSPCAATWJQTK-MAZHCROVSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000667531305 542884844 /nfs/dbraw/zinc/88/48/44/542884844.db2.gz AFSSPCAATWJQTK-MAZHCROVSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CC2CCCCC2)C2CC2)n1C ZINC000667534433 542886037 /nfs/dbraw/zinc/88/60/37/542886037.db2.gz YBBVIZXWTQRONC-UHFFFAOYSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CC2CCCCC2)C2CC2)n1C ZINC000667534433 542886040 /nfs/dbraw/zinc/88/60/40/542886040.db2.gz YBBVIZXWTQRONC-UHFFFAOYSA-N 2 2 261.413 3.273 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cc4ccncc4s3)CC2)[nH]1 ZINC000667564258 542890067 /nfs/dbraw/zinc/89/00/67/542890067.db2.gz GZALFTQXDFJLMT-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)n1C ZINC000667601931 542897099 /nfs/dbraw/zinc/89/70/99/542897099.db2.gz NLPRDQIXUQGJJS-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)n1C ZINC000667601931 542897101 /nfs/dbraw/zinc/89/71/01/542897101.db2.gz NLPRDQIXUQGJJS-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)n1C ZINC000667642652 542902520 /nfs/dbraw/zinc/90/25/20/542902520.db2.gz GDPJWJPEOUGEGN-INIZCTEOSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)n1C ZINC000667642652 542902522 /nfs/dbraw/zinc/90/25/22/542902522.db2.gz GDPJWJPEOUGEGN-INIZCTEOSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)n1C ZINC000667658893 542909654 /nfs/dbraw/zinc/90/96/54/542909654.db2.gz UKSUNMNSVCLAIT-HOCLYGCPSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)n1C ZINC000667658893 542909658 /nfs/dbraw/zinc/90/96/58/542909658.db2.gz UKSUNMNSVCLAIT-HOCLYGCPSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)[nH]c2c1 ZINC000667705524 542919961 /nfs/dbraw/zinc/91/99/61/542919961.db2.gz FUYQUSKACWIHSJ-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705524 542919964 /nfs/dbraw/zinc/91/99/64/542919964.db2.gz FUYQUSKACWIHSJ-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705524 542919966 /nfs/dbraw/zinc/91/99/66/542919966.db2.gz FUYQUSKACWIHSJ-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705524 542919969 /nfs/dbraw/zinc/91/99/69/542919969.db2.gz FUYQUSKACWIHSJ-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)n1C ZINC000667658894 542909293 /nfs/dbraw/zinc/90/92/93/542909293.db2.gz UKSUNMNSVCLAIT-ZBFHGGJFSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)n1C ZINC000667658894 542909296 /nfs/dbraw/zinc/90/92/96/542909296.db2.gz UKSUNMNSVCLAIT-ZBFHGGJFSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)n1C ZINC000667972157 542951875 /nfs/dbraw/zinc/95/18/75/542951875.db2.gz HMILCPHTRPJFPR-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)n1C ZINC000667972157 542951879 /nfs/dbraw/zinc/95/18/79/542951879.db2.gz HMILCPHTRPJFPR-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000668154011 542976096 /nfs/dbraw/zinc/97/60/96/542976096.db2.gz BQMBAGBQPGRSHV-XIRDDKMYSA-N 2 2 260.425 3.171 20 0 CGADLP C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668281005 543001285 /nfs/dbraw/zinc/00/12/85/543001285.db2.gz KFEUPPBSFRSMCK-SFHVURJKSA-N 2 2 299.393 3.132 20 0 CGADLP C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668281005 543001287 /nfs/dbraw/zinc/00/12/87/543001287.db2.gz KFEUPPBSFRSMCK-SFHVURJKSA-N 2 2 299.393 3.132 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668616051 543036085 /nfs/dbraw/zinc/03/60/85/543036085.db2.gz DZZBBPPOMSZYGD-CVEARBPZSA-N 2 2 290.451 3.033 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669205 543042269 /nfs/dbraw/zinc/04/22/69/543042269.db2.gz OESRVNXWLKTHLH-FJIDUMEYSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669205 543042273 /nfs/dbraw/zinc/04/22/73/543042273.db2.gz OESRVNXWLKTHLH-FJIDUMEYSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(c3ccon3)CC2)c[nH+]1 ZINC000668714283 543049622 /nfs/dbraw/zinc/04/96/22/543049622.db2.gz QJCUJMAKNJUNJS-UHFFFAOYSA-N 2 2 285.391 3.190 20 0 CGADLP COC1(CC[N@@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032643 292107374 /nfs/dbraw/zinc/10/73/74/292107374.db2.gz MSCFQUHEXPRORU-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[N@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032643 292107375 /nfs/dbraw/zinc/10/73/75/292107375.db2.gz MSCFQUHEXPRORU-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[NH+]2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032643 292107376 /nfs/dbraw/zinc/10/73/76/292107376.db2.gz MSCFQUHEXPRORU-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[NH+]2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032643 292107378 /nfs/dbraw/zinc/10/73/78/292107378.db2.gz MSCFQUHEXPRORU-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@@H+]1C1CC1 ZINC000308768307 397681761 /nfs/dbraw/zinc/68/17/61/397681761.db2.gz IFLHKOLPYIVPGD-HIFRSBDPSA-N 2 2 262.441 3.338 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@H+]1C1CC1 ZINC000308768307 397681763 /nfs/dbraw/zinc/68/17/63/397681763.db2.gz IFLHKOLPYIVPGD-HIFRSBDPSA-N 2 2 262.441 3.338 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000390654155 397692128 /nfs/dbraw/zinc/69/21/28/397692128.db2.gz OIHXPNPJIGXDJI-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390654155 397692133 /nfs/dbraw/zinc/69/21/33/397692133.db2.gz OIHXPNPJIGXDJI-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000674304007 543280414 /nfs/dbraw/zinc/28/04/14/543280414.db2.gz IUMFBYZXKLOXKI-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000674304007 543280417 /nfs/dbraw/zinc/28/04/17/543280417.db2.gz IUMFBYZXKLOXKI-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674322578 543281237 /nfs/dbraw/zinc/28/12/37/543281237.db2.gz XGVTVNQNLBRBMY-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674322578 543281238 /nfs/dbraw/zinc/28/12/38/543281238.db2.gz XGVTVNQNLBRBMY-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650712025 397899162 /nfs/dbraw/zinc/89/91/62/397899162.db2.gz NFQSZPCXFOBIGW-QWHCGFSZSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650712025 397899163 /nfs/dbraw/zinc/89/91/63/397899163.db2.gz NFQSZPCXFOBIGW-QWHCGFSZSA-N 2 2 281.469 3.216 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000650743095 397905134 /nfs/dbraw/zinc/90/51/34/397905134.db2.gz LWVBGFKZKKIQLB-UGFHNGPFSA-N 2 2 250.361 3.007 20 0 CGADLP CC[C@H](OCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742181 397905168 /nfs/dbraw/zinc/90/51/68/397905168.db2.gz SINOBCWFLJOGTE-SZMVWBNQSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912537 543306750 /nfs/dbraw/zinc/30/67/50/543306750.db2.gz GQUCWEPYEGARGC-NOZJJQNGSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912537 543306751 /nfs/dbraw/zinc/30/67/51/543306751.db2.gz GQUCWEPYEGARGC-NOZJJQNGSA-N 2 2 273.207 3.033 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766919 543362306 /nfs/dbraw/zinc/36/23/06/543362306.db2.gz QSNFHMJUPCWUKH-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766919 543362307 /nfs/dbraw/zinc/36/23/07/543362307.db2.gz QSNFHMJUPCWUKH-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766612 543362682 /nfs/dbraw/zinc/36/26/82/543362682.db2.gz MJMHZUSOLIIFGS-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766612 543362683 /nfs/dbraw/zinc/36/26/83/543362683.db2.gz MJMHZUSOLIIFGS-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000675765554 543361403 /nfs/dbraw/zinc/36/14/03/543361403.db2.gz KLUAPNMDEMMQQI-QZTJIDSGSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000675765554 543361405 /nfs/dbraw/zinc/36/14/05/543361405.db2.gz KLUAPNMDEMMQQI-QZTJIDSGSA-N 2 2 274.452 3.246 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675832806 543367500 /nfs/dbraw/zinc/36/75/00/543367500.db2.gz AJWSFISAGRIIEV-IMJJTQAJSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832806 543367504 /nfs/dbraw/zinc/36/75/04/543367504.db2.gz AJWSFISAGRIIEV-IMJJTQAJSA-N 2 2 252.446 3.275 20 0 CGADLP c1csc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000676714504 543412045 /nfs/dbraw/zinc/41/20/45/543412045.db2.gz KQWCXVAQLSTWKS-UHFFFAOYSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@H](CC1CCCC1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000676871345 543421269 /nfs/dbraw/zinc/42/12/69/543421269.db2.gz IHOFEPAAGAEZRL-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677129896 543434823 /nfs/dbraw/zinc/43/48/23/543434823.db2.gz GTTMCXCISRPVGH-FDOKIQAASA-N 2 2 292.373 3.024 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677129896 543434825 /nfs/dbraw/zinc/43/48/25/543434825.db2.gz GTTMCXCISRPVGH-FDOKIQAASA-N 2 2 292.373 3.024 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000677424757 543448654 /nfs/dbraw/zinc/44/86/54/543448654.db2.gz KLBQWTAIGQBEON-AWEZNQCLSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000677424757 543448656 /nfs/dbraw/zinc/44/86/56/543448656.db2.gz KLBQWTAIGQBEON-AWEZNQCLSA-N 2 2 266.816 3.141 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)c[nH+]1 ZINC000677554076 543454747 /nfs/dbraw/zinc/45/47/47/543454747.db2.gz NFFXKDDSUJJBGO-AWEZNQCLSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)c[nH+]1 ZINC000677554076 543454749 /nfs/dbraw/zinc/45/47/49/543454749.db2.gz NFFXKDDSUJJBGO-AWEZNQCLSA-N 2 2 288.420 3.054 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677750160 543463933 /nfs/dbraw/zinc/46/39/33/543463933.db2.gz RTEQDSYSQRFZGF-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000677750160 543463934 /nfs/dbraw/zinc/46/39/34/543463934.db2.gz RTEQDSYSQRFZGF-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846724 543468983 /nfs/dbraw/zinc/46/89/83/543468983.db2.gz UAOADVPSSNJUOK-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846724 543468984 /nfs/dbraw/zinc/46/89/84/543468984.db2.gz UAOADVPSSNJUOK-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000677983548 543474778 /nfs/dbraw/zinc/47/47/78/543474778.db2.gz DGDBHUJXRRFLSQ-SFHVURJKSA-N 2 2 283.419 3.447 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000677983548 543474779 /nfs/dbraw/zinc/47/47/79/543474779.db2.gz DGDBHUJXRRFLSQ-SFHVURJKSA-N 2 2 283.419 3.447 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000678080762 543482067 /nfs/dbraw/zinc/48/20/67/543482067.db2.gz MFHMDIJZZDHDMN-QAPCUYQASA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000678080762 543482070 /nfs/dbraw/zinc/48/20/70/543482070.db2.gz MFHMDIJZZDHDMN-QAPCUYQASA-N 2 2 298.434 3.032 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)[nH]1 ZINC000678220683 543494671 /nfs/dbraw/zinc/49/46/71/543494671.db2.gz PONUCFJLXNWYJK-HNNXBMFYSA-N 2 2 297.402 3.155 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000678222822 543496447 /nfs/dbraw/zinc/49/64/47/543496447.db2.gz IBSIJRKGIGIVGB-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000678222822 543496449 /nfs/dbraw/zinc/49/64/49/543496449.db2.gz IBSIJRKGIGIVGB-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235901 543498031 /nfs/dbraw/zinc/49/80/31/543498031.db2.gz ZKDBBGGEAZMARP-LBPRGKRZSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235901 543498033 /nfs/dbraw/zinc/49/80/33/543498033.db2.gz ZKDBBGGEAZMARP-LBPRGKRZSA-N 2 2 281.812 3.435 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235507 543498524 /nfs/dbraw/zinc/49/85/24/543498524.db2.gz VDGBZTHXAFLTCE-PFWMLDTASA-N 2 2 297.402 3.242 20 0 CGADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235507 543498526 /nfs/dbraw/zinc/49/85/26/543498526.db2.gz VDGBZTHXAFLTCE-PFWMLDTASA-N 2 2 297.402 3.242 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678769894 543555812 /nfs/dbraw/zinc/55/58/12/543555812.db2.gz BIPMMQHMBZAQEM-AEFFLSMTSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678769894 543555815 /nfs/dbraw/zinc/55/58/15/543555815.db2.gz BIPMMQHMBZAQEM-AEFFLSMTSA-N 2 2 288.410 3.277 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000340210493 292256163 /nfs/dbraw/zinc/25/61/63/292256163.db2.gz RRKFWCCQKOJBDK-BPQIPLTHSA-N 2 2 290.451 3.145 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000554851660 289313356 /nfs/dbraw/zinc/31/33/56/289313356.db2.gz IGSXSABNECDXEA-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344005063 286394864 /nfs/dbraw/zinc/39/48/64/286394864.db2.gz DODNWJWIICFBMM-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344005063 286394865 /nfs/dbraw/zinc/39/48/65/286394865.db2.gz DODNWJWIICFBMM-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266057 289580900 /nfs/dbraw/zinc/58/09/00/289580900.db2.gz DINLGAMKNYGNTH-LSDHHAIUSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CCCC1 ZINC000474604064 287035801 /nfs/dbraw/zinc/03/58/01/287035801.db2.gz QOVWMIZRLNEOGW-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000488495243 287071704 /nfs/dbraw/zinc/07/17/04/287071704.db2.gz BZYRDTGDXHYXGO-HSMVNMDESA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000488495243 287071705 /nfs/dbraw/zinc/07/17/05/287071705.db2.gz BZYRDTGDXHYXGO-HSMVNMDESA-N 2 2 278.827 3.473 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081638112 287075599 /nfs/dbraw/zinc/07/55/99/287075599.db2.gz SJFMIXZIHLWQDT-HOTGVXAUSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710599 165053444 /nfs/dbraw/zinc/05/34/44/165053444.db2.gz AHOWHEFRIRHJLA-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Clc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000075834238 165105047 /nfs/dbraw/zinc/10/50/47/165105047.db2.gz AKRANQNIWBVDKW-HNNXBMFYSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000075834238 165105055 /nfs/dbraw/zinc/10/50/55/165105055.db2.gz AKRANQNIWBVDKW-HNNXBMFYSA-N 2 2 293.842 3.043 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC000075860015 165105707 /nfs/dbraw/zinc/10/57/07/165105707.db2.gz QYAFNLYOYWRYIF-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC000075860015 165105716 /nfs/dbraw/zinc/10/57/16/165105716.db2.gz QYAFNLYOYWRYIF-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(F)c1 ZINC000075860015 165105722 /nfs/dbraw/zinc/10/57/22/165105722.db2.gz QYAFNLYOYWRYIF-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)c(F)c1 ZINC000075860015 165105724 /nfs/dbraw/zinc/10/57/24/165105724.db2.gz QYAFNLYOYWRYIF-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCC2 ZINC000078788935 165136680 /nfs/dbraw/zinc/13/66/80/165136680.db2.gz IIKDJUJKZQKDNG-UHFFFAOYSA-N 2 2 280.415 3.136 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CCC2 ZINC000078788935 165136682 /nfs/dbraw/zinc/13/66/82/165136682.db2.gz IIKDJUJKZQKDNG-UHFFFAOYSA-N 2 2 280.415 3.136 20 0 CGADLP CCn1c[nH+]cc1CNc1cccc(C[NH+](CC)CC)c1 ZINC000090171394 165229303 /nfs/dbraw/zinc/22/93/03/165229303.db2.gz BZCWFUHOAWEJBS-UHFFFAOYSA-N 2 2 286.423 3.357 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000091307953 287107241 /nfs/dbraw/zinc/10/72/41/287107241.db2.gz BDXAXYNSWJXPJI-IRXDYDNUSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000091307953 287107242 /nfs/dbraw/zinc/10/72/42/287107242.db2.gz BDXAXYNSWJXPJI-IRXDYDNUSA-N 2 2 258.409 3.130 20 0 CGADLP CC[C@@H](C)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000093055595 165320215 /nfs/dbraw/zinc/32/02/15/165320215.db2.gz QYZRZEYKLQSLAC-OAHLLOKOSA-N 2 2 271.408 3.110 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Br ZINC000093465476 165328444 /nfs/dbraw/zinc/32/84/44/165328444.db2.gz RJELQCQNHVBHDR-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000094341477 165349936 /nfs/dbraw/zinc/34/99/36/165349936.db2.gz DDHIWPNBGVGLFS-GWCFXTLKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000094341477 165349939 /nfs/dbraw/zinc/34/99/39/165349939.db2.gz DDHIWPNBGVGLFS-GWCFXTLKSA-N 2 2 293.461 3.041 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000116387252 287157188 /nfs/dbraw/zinc/15/71/88/287157188.db2.gz QFZMGOCZTKAFSY-KRWDZBQOSA-N 2 2 271.408 3.274 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000020189098 171055033 /nfs/dbraw/zinc/05/50/33/171055033.db2.gz OVPPVEWLVFGAQI-GFCCVEGCSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000020264698 171121758 /nfs/dbraw/zinc/12/17/58/171121758.db2.gz OQFYMDAHYJPIIW-QGZVFWFLSA-N 2 2 254.377 3.127 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000020264698 171121760 /nfs/dbraw/zinc/12/17/60/171121760.db2.gz OQFYMDAHYJPIIW-QGZVFWFLSA-N 2 2 254.377 3.127 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000035275485 172095791 /nfs/dbraw/zinc/09/57/91/172095791.db2.gz AEEKVYOGNQGFTQ-WLYUNCDWSA-N 2 2 263.429 3.466 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000037228669 173048785 /nfs/dbraw/zinc/04/87/85/173048785.db2.gz CQWRTABMROZVFT-QGZVFWFLSA-N 2 2 258.409 3.132 20 0 CGADLP Cc1cc(NCC[NH+]2CCCCCC2)nc(C(C)C)[nH+]1 ZINC000040433509 174261035 /nfs/dbraw/zinc/26/10/35/174261035.db2.gz SMIZRMFAELREAE-UHFFFAOYSA-N 2 2 276.428 3.196 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119070 174484939 /nfs/dbraw/zinc/48/49/39/174484939.db2.gz DAHPASPAWPXUQM-CQSZACIVSA-N 2 2 257.381 3.186 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000128497713 287312488 /nfs/dbraw/zinc/31/24/88/287312488.db2.gz IUAFWAPZPZRWOW-JOQOYGCGSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000128497713 287312492 /nfs/dbraw/zinc/31/24/92/287312492.db2.gz IUAFWAPZPZRWOW-JOQOYGCGSA-N 2 2 288.435 3.361 20 0 CGADLP CCC[N@H+](Cc1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071314602 176121165 /nfs/dbraw/zinc/12/11/65/176121165.db2.gz RXPGCDWQEDMCFJ-CQSZACIVSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071314602 176121167 /nfs/dbraw/zinc/12/11/67/176121167.db2.gz RXPGCDWQEDMCFJ-CQSZACIVSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314962 176121629 /nfs/dbraw/zinc/12/16/29/176121629.db2.gz KSTOYGBQLHQVFQ-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314962 176121631 /nfs/dbraw/zinc/12/16/31/176121631.db2.gz KSTOYGBQLHQVFQ-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)[C@@H]1CC[NH3+] ZINC000404413545 416553490 /nfs/dbraw/zinc/55/34/90/416553490.db2.gz DZLDHWRMMKDOPZ-MEBBXXQBSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)[C@@H]1CC[NH3+] ZINC000404413545 416553492 /nfs/dbraw/zinc/55/34/92/416553492.db2.gz DZLDHWRMMKDOPZ-MEBBXXQBSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1CC[NH3+] ZINC000404453494 416555335 /nfs/dbraw/zinc/55/53/35/416555335.db2.gz ZUAGYIQJVDFAFX-IINYFYTJSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1CC[NH3+] ZINC000404453494 416555337 /nfs/dbraw/zinc/55/53/37/416555337.db2.gz ZUAGYIQJVDFAFX-IINYFYTJSA-N 2 2 286.341 3.053 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC3 ZINC000679342556 543623463 /nfs/dbraw/zinc/62/34/63/543623463.db2.gz UXCNVHPCZKSWRL-CABCVRRESA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC3 ZINC000679342556 543623468 /nfs/dbraw/zinc/62/34/68/543623468.db2.gz UXCNVHPCZKSWRL-CABCVRRESA-N 2 2 297.446 3.017 20 0 CGADLP C[C@H](CCCCO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000679345752 543623582 /nfs/dbraw/zinc/62/35/82/543623582.db2.gz PFJZODVHRFSMLE-HUUCEWRRSA-N 2 2 287.407 3.074 20 0 CGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000130391859 287353964 /nfs/dbraw/zinc/35/39/64/287353964.db2.gz ZXNNDMUSNLPETF-CVEARBPZSA-N 2 2 263.429 3.468 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000682027918 543816853 /nfs/dbraw/zinc/81/68/53/543816853.db2.gz NHRUYHSZKZAUQO-UHFFFAOYSA-N 2 2 266.351 3.137 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000682027918 543816855 /nfs/dbraw/zinc/81/68/55/543816855.db2.gz NHRUYHSZKZAUQO-UHFFFAOYSA-N 2 2 266.351 3.137 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681976149 543812972 /nfs/dbraw/zinc/81/29/72/543812972.db2.gz UFVOQOSHHQGIDA-CEXWTWQISA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681976149 543812975 /nfs/dbraw/zinc/81/29/75/543812975.db2.gz UFVOQOSHHQGIDA-CEXWTWQISA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000682157291 543831065 /nfs/dbraw/zinc/83/10/65/543831065.db2.gz ZKEFITTZXHLCEV-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000682157291 543831068 /nfs/dbraw/zinc/83/10/68/543831068.db2.gz ZKEFITTZXHLCEV-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000131706478 287387675 /nfs/dbraw/zinc/38/76/75/287387675.db2.gz LFRLELYFTYPLCO-KRWDZBQOSA-N 2 2 271.408 3.226 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000131706478 287387676 /nfs/dbraw/zinc/38/76/76/287387676.db2.gz LFRLELYFTYPLCO-KRWDZBQOSA-N 2 2 271.408 3.226 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000683019414 543889992 /nfs/dbraw/zinc/88/99/92/543889992.db2.gz BHGXGMBLOQBVBJ-SUMWQHHRSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000683019414 543889995 /nfs/dbraw/zinc/88/99/95/543889995.db2.gz BHGXGMBLOQBVBJ-SUMWQHHRSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2c(O)cccc12 ZINC000684575964 544015591 /nfs/dbraw/zinc/01/55/91/544015591.db2.gz MLCIXOKYDFOJAA-UHFFFAOYSA-N 2 2 296.374 3.338 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](c3ccco3)C2)c[nH+]1 ZINC000684359856 543985157 /nfs/dbraw/zinc/98/51/57/543985157.db2.gz KCLZOIHEVHCMQJ-INIZCTEOSA-N 2 2 270.376 3.405 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](c3ccco3)C2)c[nH+]1 ZINC000684359856 543985158 /nfs/dbraw/zinc/98/51/58/543985158.db2.gz KCLZOIHEVHCMQJ-INIZCTEOSA-N 2 2 270.376 3.405 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000684368009 543986354 /nfs/dbraw/zinc/98/63/54/543986354.db2.gz YGWMSDVSXMDJEP-RCCFBDPRSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2OCCc3ccccc32)c[nH+]1 ZINC000684378566 543988973 /nfs/dbraw/zinc/98/89/73/543988973.db2.gz MZUMRIKJNWXPSB-IBGZPJMESA-N 2 2 296.414 3.226 20 0 CGADLP Cc1ccc(CCCNc2cnn(-c3cc[nH+]cc3)c2)c[nH+]1 ZINC000684390267 543991894 /nfs/dbraw/zinc/99/18/94/543991894.db2.gz BNDCMEZTJHPLKW-UHFFFAOYSA-N 2 2 293.374 3.015 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cscc1Cl ZINC000685462496 544074326 /nfs/dbraw/zinc/07/43/26/544074326.db2.gz UNLJIAXZDPWXOR-UHFFFAOYSA-N 2 2 283.828 3.429 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cscc1Cl ZINC000685462496 544074328 /nfs/dbraw/zinc/07/43/28/544074328.db2.gz UNLJIAXZDPWXOR-UHFFFAOYSA-N 2 2 283.828 3.429 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000685463059 544075643 /nfs/dbraw/zinc/07/56/43/544075643.db2.gz MAQOPGFBHJLSSJ-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000685463059 544075645 /nfs/dbraw/zinc/07/56/45/544075645.db2.gz MAQOPGFBHJLSSJ-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000685476390 544080141 /nfs/dbraw/zinc/08/01/41/544080141.db2.gz OLKHHPYZHUWFMH-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000685476390 544080143 /nfs/dbraw/zinc/08/01/43/544080143.db2.gz OLKHHPYZHUWFMH-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664001 544093929 /nfs/dbraw/zinc/09/39/29/544093929.db2.gz MBKJKRRPZSWWGF-INMHGKMJSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664001 544093931 /nfs/dbraw/zinc/09/39/31/544093931.db2.gz MBKJKRRPZSWWGF-INMHGKMJSA-N 2 2 290.451 3.053 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685921702 544108801 /nfs/dbraw/zinc/10/88/01/544108801.db2.gz GOWJSGOGKAGRCL-CYBMUJFWSA-N 2 2 278.444 3.306 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685921702 544108804 /nfs/dbraw/zinc/10/88/04/544108804.db2.gz GOWJSGOGKAGRCL-CYBMUJFWSA-N 2 2 278.444 3.306 20 0 CGADLP CCn1c[nH+]cc1C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000417927262 227197152 /nfs/dbraw/zinc/19/71/52/227197152.db2.gz LUSNCJLIAANZTN-UHFFFAOYSA-N 2 2 290.436 3.227 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873980 419024071 /nfs/dbraw/zinc/02/40/71/419024071.db2.gz CTXPVIIPSGXELM-HLLBOEOZSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873980 419024076 /nfs/dbraw/zinc/02/40/76/419024076.db2.gz CTXPVIIPSGXELM-HLLBOEOZSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873980 419024078 /nfs/dbraw/zinc/02/40/78/419024078.db2.gz CTXPVIIPSGXELM-HLLBOEOZSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873980 419024080 /nfs/dbraw/zinc/02/40/80/419024080.db2.gz CTXPVIIPSGXELM-HLLBOEOZSA-N 2 2 264.457 3.229 20 0 CGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523003 419043082 /nfs/dbraw/zinc/04/30/82/419043082.db2.gz YYOREAQNVMHYOO-HOTGVXAUSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523003 419043085 /nfs/dbraw/zinc/04/30/85/419043085.db2.gz YYOREAQNVMHYOO-HOTGVXAUSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523003 419043089 /nfs/dbraw/zinc/04/30/89/419043089.db2.gz YYOREAQNVMHYOO-HOTGVXAUSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523003 419043092 /nfs/dbraw/zinc/04/30/92/419043092.db2.gz YYOREAQNVMHYOO-HOTGVXAUSA-N 2 2 296.455 3.064 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000660130180 419084033 /nfs/dbraw/zinc/08/40/33/419084033.db2.gz WRYZZEBRFXVZIR-IAGOWNOFSA-N 2 2 295.430 3.330 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000660130180 419084038 /nfs/dbraw/zinc/08/40/38/419084038.db2.gz WRYZZEBRFXVZIR-IAGOWNOFSA-N 2 2 295.430 3.330 20 0 CGADLP CSc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000660127840 419084137 /nfs/dbraw/zinc/08/41/37/419084137.db2.gz FOKBWZIYKZJWHY-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000660127840 419084140 /nfs/dbraw/zinc/08/41/40/419084140.db2.gz FOKBWZIYKZJWHY-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000655857615 419124444 /nfs/dbraw/zinc/12/44/44/419124444.db2.gz UNZDBNSUYNWGHS-HZPDHXFCSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000655857615 419124446 /nfs/dbraw/zinc/12/44/46/419124446.db2.gz UNZDBNSUYNWGHS-HZPDHXFCSA-N 2 2 278.465 3.471 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660168534 419093158 /nfs/dbraw/zinc/09/31/58/419093158.db2.gz DJWDJLLLZBVPIR-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660168534 419093159 /nfs/dbraw/zinc/09/31/59/419093159.db2.gz DJWDJLLLZBVPIR-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655772900 419093473 /nfs/dbraw/zinc/09/34/73/419093473.db2.gz NJQUPVAVHKPNHW-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776087 419094520 /nfs/dbraw/zinc/09/45/20/419094520.db2.gz HRCKORZGZRIXSC-BBWFWOEESA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2cc(Cl)ccc2o1 ZINC000665278432 419099351 /nfs/dbraw/zinc/09/93/51/419099351.db2.gz FDNDYEKIUFLAPU-VHTNMKBUSA-N 2 2 290.794 3.489 20 0 CGADLP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2ccccc2o1 ZINC000665278518 419099719 /nfs/dbraw/zinc/09/97/19/419099719.db2.gz HELLOWNMDTYXJB-LKGZKJKYSA-N 2 2 284.403 3.472 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)[C@H]1CCCCO1 ZINC000653873275 419100567 /nfs/dbraw/zinc/10/05/67/419100567.db2.gz OCDQTLJSCNEAMA-IXDOHACOSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)[C@H]1CCCCO1 ZINC000653873275 419100572 /nfs/dbraw/zinc/10/05/72/419100572.db2.gz OCDQTLJSCNEAMA-IXDOHACOSA-N 2 2 282.472 3.187 20 0 CGADLP CC(C)Cc1cccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665280293 419101789 /nfs/dbraw/zinc/10/17/89/419101789.db2.gz XZVHCWFINMMRDN-MXWWQKGMSA-N 2 2 272.436 3.288 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000665294230 419106458 /nfs/dbraw/zinc/10/64/58/419106458.db2.gz KUVYXZDXGQGRHZ-GJZGRUSLSA-N 2 2 278.440 3.370 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000665297287 419111164 /nfs/dbraw/zinc/11/11/64/419111164.db2.gz COHBHBLVQIGIIT-BDAKNGLRSA-N 2 2 291.258 3.078 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000655848649 419119054 /nfs/dbraw/zinc/11/90/54/419119054.db2.gz JOYLJWBFBSGLML-JQFCIGGWSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000655848649 419119059 /nfs/dbraw/zinc/11/90/59/419119059.db2.gz JOYLJWBFBSGLML-JQFCIGGWSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847903 419119277 /nfs/dbraw/zinc/11/92/77/419119277.db2.gz FLLLRWIDJDPPLG-OIISXLGYSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847903 419119281 /nfs/dbraw/zinc/11/92/81/419119281.db2.gz FLLLRWIDJDPPLG-OIISXLGYSA-N 2 2 276.424 3.207 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655849878 419120471 /nfs/dbraw/zinc/12/04/71/419120471.db2.gz QJCFWYJVFBIBJE-WBAXXEDZSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655849878 419120474 /nfs/dbraw/zinc/12/04/74/419120474.db2.gz QJCFWYJVFBIBJE-WBAXXEDZSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000655849177 419121103 /nfs/dbraw/zinc/12/11/03/419121103.db2.gz PUYXUPXAYYLMAC-UAGQMJEPSA-N 2 2 290.455 3.132 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000655849177 419121106 /nfs/dbraw/zinc/12/11/06/419121106.db2.gz PUYXUPXAYYLMAC-UAGQMJEPSA-N 2 2 290.455 3.132 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655855204 419123518 /nfs/dbraw/zinc/12/35/18/419123518.db2.gz DVMGVCVUEQNCDW-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655855204 419123520 /nfs/dbraw/zinc/12/35/20/419123520.db2.gz DVMGVCVUEQNCDW-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680002 419063468 /nfs/dbraw/zinc/06/34/68/419063468.db2.gz GXRULHQQIKSRPL-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680004 419063753 /nfs/dbraw/zinc/06/37/53/419063753.db2.gz GXRULHQQIKSRPL-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CS1 ZINC000655700731 419068945 /nfs/dbraw/zinc/06/89/45/419068945.db2.gz OFQPWPQCWMHBKD-OLZOCXBDSA-N 2 2 289.448 3.369 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065460 419069820 /nfs/dbraw/zinc/06/98/20/419069820.db2.gz WNGRECUJYRTXRO-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065460 419069822 /nfs/dbraw/zinc/06/98/22/419069822.db2.gz WNGRECUJYRTXRO-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065460 419069824 /nfs/dbraw/zinc/06/98/24/419069824.db2.gz WNGRECUJYRTXRO-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065460 419069826 /nfs/dbraw/zinc/06/98/26/419069826.db2.gz WNGRECUJYRTXRO-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655712324 419072567 /nfs/dbraw/zinc/07/25/67/419072567.db2.gz QYMWNXIRMRLFII-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655712324 419072571 /nfs/dbraw/zinc/07/25/71/419072571.db2.gz QYMWNXIRMRLFII-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000655707802 419073050 /nfs/dbraw/zinc/07/30/50/419073050.db2.gz DEQVKUULWJAJON-UONOGXRCSA-N 2 2 279.453 3.147 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000660110955 419077457 /nfs/dbraw/zinc/07/74/57/419077457.db2.gz MFWJKCDPGHHEEJ-MGPQQGTHSA-N 2 2 285.382 3.447 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000660110955 419077460 /nfs/dbraw/zinc/07/74/60/419077460.db2.gz MFWJKCDPGHHEEJ-MGPQQGTHSA-N 2 2 285.382 3.447 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CC[C@H](C)SC3)[nH+]c12 ZINC000655719909 419077841 /nfs/dbraw/zinc/07/78/41/419077841.db2.gz WXJJDQAQQCYUSP-DZGCQCFKSA-N 2 2 289.448 3.059 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728777 419079729 /nfs/dbraw/zinc/07/97/29/419079729.db2.gz CMWOCAOTKWYENC-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941082 419129496 /nfs/dbraw/zinc/12/94/96/419129496.db2.gz LVZCVRDPUIEPCC-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941082 419129500 /nfs/dbraw/zinc/12/95/00/419129500.db2.gz LVZCVRDPUIEPCC-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@@H]1c1ccccc1 ZINC000660490439 419152255 /nfs/dbraw/zinc/15/22/55/419152255.db2.gz SWYPHIBLGPWHRL-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@@H]1c1ccccc1 ZINC000660490439 419152257 /nfs/dbraw/zinc/15/22/57/419152257.db2.gz SWYPHIBLGPWHRL-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1ccc(-c2[nH+]ccn2C)cc1)[NH+]1CCCC1 ZINC000656369664 419167748 /nfs/dbraw/zinc/16/77/48/419167748.db2.gz RHWUIGMKEXJBGB-CYBMUJFWSA-N 2 2 255.365 3.244 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654114 419178253 /nfs/dbraw/zinc/17/82/53/419178253.db2.gz CZMNJLKGJRORLX-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654114 419178255 /nfs/dbraw/zinc/17/82/55/419178255.db2.gz CZMNJLKGJRORLX-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654114 419178258 /nfs/dbraw/zinc/17/82/58/419178258.db2.gz CZMNJLKGJRORLX-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654114 419178259 /nfs/dbraw/zinc/17/82/59/419178259.db2.gz CZMNJLKGJRORLX-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657337296 419253286 /nfs/dbraw/zinc/25/32/86/419253286.db2.gz PRGOXMUPHHJICI-CQSZACIVSA-N 2 2 299.418 3.469 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657363467 419260755 /nfs/dbraw/zinc/26/07/55/419260755.db2.gz OUQWILHPFHETKA-ZIAGYGMSSA-N 2 2 261.413 3.135 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Sc1ccccc1 ZINC000657379483 419264992 /nfs/dbraw/zinc/26/49/92/419264992.db2.gz YLJRZPYYCRJTHL-ZDUSSCGKSA-N 2 2 287.432 3.100 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228467 419199792 /nfs/dbraw/zinc/19/97/92/419199792.db2.gz RMCVLMJBMBBJQY-CLWVCHIJSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228467 419199793 /nfs/dbraw/zinc/19/97/93/419199793.db2.gz RMCVLMJBMBBJQY-CLWVCHIJSA-N 2 2 294.389 3.283 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000657439950 419279834 /nfs/dbraw/zinc/27/98/34/419279834.db2.gz IQWYIXLWHSGZAB-QLFBSQMISA-N 2 2 261.413 3.146 20 0 CGADLP Cc1c[nH]c(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH+]1 ZINC000657489785 419292050 /nfs/dbraw/zinc/29/20/50/419292050.db2.gz WOFIHEIFYSPCDZ-UHFFFAOYSA-N 2 2 295.390 3.406 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522277 419297631 /nfs/dbraw/zinc/29/76/31/419297631.db2.gz AIBIVMBXJJHBLT-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522277 419297634 /nfs/dbraw/zinc/29/76/34/419297634.db2.gz AIBIVMBXJJHBLT-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525521 419297756 /nfs/dbraw/zinc/29/77/56/419297756.db2.gz RUXWFUIOSJBJME-MNDMWVCDSA-N 2 2 288.435 3.171 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525521 419297759 /nfs/dbraw/zinc/29/77/59/419297759.db2.gz RUXWFUIOSJBJME-MNDMWVCDSA-N 2 2 288.435 3.171 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525149 419297765 /nfs/dbraw/zinc/29/77/65/419297765.db2.gz URIYFLUBIMJLFO-HNNXBMFYSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525149 419297767 /nfs/dbraw/zinc/29/77/67/419297767.db2.gz URIYFLUBIMJLFO-HNNXBMFYSA-N 2 2 276.424 3.048 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000657523615 419297792 /nfs/dbraw/zinc/29/77/92/419297792.db2.gz HIWXDGCNWCAGPQ-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000657523615 419297795 /nfs/dbraw/zinc/29/77/95/419297795.db2.gz HIWXDGCNWCAGPQ-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000657523839 419297917 /nfs/dbraw/zinc/29/79/17/419297917.db2.gz LEWUEOBCDWHBBB-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657561631 419304528 /nfs/dbraw/zinc/30/45/28/419304528.db2.gz CCUHYGNXGZKATQ-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657561631 419304530 /nfs/dbraw/zinc/30/45/30/419304530.db2.gz CCUHYGNXGZKATQ-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966818 419316850 /nfs/dbraw/zinc/31/68/50/419316850.db2.gz MFWXOIWESDRGCD-GDBMZVCRSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661966818 419316851 /nfs/dbraw/zinc/31/68/51/419316851.db2.gz MFWXOIWESDRGCD-GDBMZVCRSA-N 2 2 267.376 3.023 20 0 CGADLP CCC(CC)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000662040055 419325997 /nfs/dbraw/zinc/32/59/97/419325997.db2.gz ZCRRLYDIBKYXGV-UHFFFAOYSA-N 2 2 251.418 3.421 20 0 CGADLP CCC(CC)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000662040055 419325999 /nfs/dbraw/zinc/32/59/99/419325999.db2.gz ZCRRLYDIBKYXGV-UHFFFAOYSA-N 2 2 251.418 3.421 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CC2(F)F)n1-c1ccccc1 ZINC000657663394 419322226 /nfs/dbraw/zinc/32/22/26/419322226.db2.gz CFLVUFKRGQPJOY-OAHLLOKOSA-N 2 2 291.345 3.316 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657752181 419336586 /nfs/dbraw/zinc/33/65/86/419336586.db2.gz MUVOJVVDUTZHED-NVXWUHKLSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCc2ccco2)n1-c1ccccc1 ZINC000657783969 419348279 /nfs/dbraw/zinc/34/82/79/419348279.db2.gz ZEXSNHKUJARQBG-UHFFFAOYSA-N 2 2 295.386 3.496 20 0 CGADLP C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC(C)(C)[NH3+] ZINC000662298527 419387611 /nfs/dbraw/zinc/38/76/11/419387611.db2.gz ZYAPDAKPQMWXDW-UHFFFAOYSA-N 2 2 293.798 3.164 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)CC(C)(C)[NH3+] ZINC000662298527 419387617 /nfs/dbraw/zinc/38/76/17/419387617.db2.gz ZYAPDAKPQMWXDW-UHFFFAOYSA-N 2 2 293.798 3.164 20 0 CGADLP CCOC1CCC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000657881664 419404043 /nfs/dbraw/zinc/40/40/43/419404043.db2.gz PPJYRZFXNXEVBI-JUVOFCAFSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000657997137 419484072 /nfs/dbraw/zinc/48/40/72/419484072.db2.gz UENHXTOQMHBBPA-UYSNPLJNSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000657997137 419484082 /nfs/dbraw/zinc/48/40/82/419484082.db2.gz UENHXTOQMHBBPA-UYSNPLJNSA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185676980 287552621 /nfs/dbraw/zinc/55/26/21/287552621.db2.gz GQKJWJVWONNIJQ-DNVCBOLYSA-N 2 2 298.430 3.476 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000658058126 419526601 /nfs/dbraw/zinc/52/66/01/419526601.db2.gz CWAWWHWDIZEHHS-GJZGRUSLSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000658058126 419526606 /nfs/dbraw/zinc/52/66/06/419526606.db2.gz CWAWWHWDIZEHHS-GJZGRUSLSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000658062047 419537138 /nfs/dbraw/zinc/53/71/38/419537138.db2.gz RGXXLHNUOCPNMA-RRFJBIMHSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000658062047 419537143 /nfs/dbraw/zinc/53/71/43/419537143.db2.gz RGXXLHNUOCPNMA-RRFJBIMHSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090379 419559487 /nfs/dbraw/zinc/55/94/87/419559487.db2.gz GXFJUOGYNSTXCR-OCCSQVGLSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090379 419559498 /nfs/dbraw/zinc/55/94/98/419559498.db2.gz GXFJUOGYNSTXCR-OCCSQVGLSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090380 419565581 /nfs/dbraw/zinc/56/55/81/419565581.db2.gz GXFJUOGYNSTXCR-TZMCWYRMSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090380 419565585 /nfs/dbraw/zinc/56/55/85/419565585.db2.gz GXFJUOGYNSTXCR-TZMCWYRMSA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000658096484 419574672 /nfs/dbraw/zinc/57/46/72/419574672.db2.gz QJWQMPROVBBIMN-DLBZAZTESA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000658096484 419574681 /nfs/dbraw/zinc/57/46/81/419574681.db2.gz QJWQMPROVBBIMN-DLBZAZTESA-N 2 2 287.451 3.385 20 0 CGADLP CC[C@H](C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000658120050 419594624 /nfs/dbraw/zinc/59/46/24/419594624.db2.gz FSGLSASEMPXGSM-HNNXBMFYSA-N 2 2 275.440 3.072 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000663508510 419639799 /nfs/dbraw/zinc/63/97/99/419639799.db2.gz BSSSDYVNVSFMAH-CQSZACIVSA-N 2 2 284.403 3.060 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663466521 419619225 /nfs/dbraw/zinc/61/92/25/419619225.db2.gz UYZDFPFYECXCQC-WFASDCNBSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466521 419619232 /nfs/dbraw/zinc/61/92/32/419619232.db2.gz UYZDFPFYECXCQC-WFASDCNBSA-N 2 2 293.480 3.224 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287258 419737537 /nfs/dbraw/zinc/73/75/37/419737537.db2.gz XZZJNXLORFADFW-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287258 419737542 /nfs/dbraw/zinc/73/75/42/419737542.db2.gz XZZJNXLORFADFW-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000223075457 260263918 /nfs/dbraw/zinc/26/39/18/260263918.db2.gz RIOOXEZETFTOTH-PBHICJAKSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000223075457 260263919 /nfs/dbraw/zinc/26/39/19/260263919.db2.gz RIOOXEZETFTOTH-PBHICJAKSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000020128823 262230694 /nfs/dbraw/zinc/23/06/94/262230694.db2.gz UWPQCZLLZVMUJP-ZDUSSCGKSA-N 2 2 282.378 3.491 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c[nH+]1 ZINC000037003734 270028280 /nfs/dbraw/zinc/02/82/80/270028280.db2.gz ZBJNXTBVPMNGKF-OFQRWUPVSA-N 2 2 290.455 3.068 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c[nH+]1 ZINC000037003734 270028281 /nfs/dbraw/zinc/02/82/81/270028281.db2.gz ZBJNXTBVPMNGKF-OFQRWUPVSA-N 2 2 290.455 3.068 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000036854494 270028322 /nfs/dbraw/zinc/02/83/22/270028322.db2.gz QQZYQVKCGGMRMQ-OIISXLGYSA-N 2 2 260.425 3.458 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000040771878 270030222 /nfs/dbraw/zinc/03/02/22/270030222.db2.gz DPIFRRLOLZOJRD-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)s1 ZINC000041202551 270031054 /nfs/dbraw/zinc/03/10/54/270031054.db2.gz KAMNYOHPRUDONK-OLZOCXBDSA-N 2 2 266.454 3.445 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000041202551 270031055 /nfs/dbraw/zinc/03/10/55/270031055.db2.gz KAMNYOHPRUDONK-OLZOCXBDSA-N 2 2 266.454 3.445 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683804 270037378 /nfs/dbraw/zinc/03/73/78/270037378.db2.gz GDTDSSMWUINODP-MRXNPFEDSA-N 2 2 272.436 3.310 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683804 270037379 /nfs/dbraw/zinc/03/73/79/270037379.db2.gz GDTDSSMWUINODP-MRXNPFEDSA-N 2 2 272.436 3.310 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000045105475 270038050 /nfs/dbraw/zinc/03/80/50/270038050.db2.gz WVTCPIJBLREUDJ-INIZCTEOSA-N 2 2 257.381 3.404 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186091424 270064680 /nfs/dbraw/zinc/06/46/80/270064680.db2.gz MHASGHXOVGMVJY-NSHDSACASA-N 2 2 280.437 3.034 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187037620 270067704 /nfs/dbraw/zinc/06/77/04/270067704.db2.gz ZCIGBINAUVCATH-VXGBXAGGSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000187037620 270067705 /nfs/dbraw/zinc/06/77/05/270067705.db2.gz ZCIGBINAUVCATH-VXGBXAGGSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702982 270086144 /nfs/dbraw/zinc/08/61/44/270086144.db2.gz KVKWTCDVDVZNCX-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702982 270086145 /nfs/dbraw/zinc/08/61/45/270086145.db2.gz KVKWTCDVDVZNCX-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000223232963 270086502 /nfs/dbraw/zinc/08/65/02/270086502.db2.gz QCVRNDFPHPDXAI-VNQPRFMTSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000223232963 270086503 /nfs/dbraw/zinc/08/65/03/270086503.db2.gz QCVRNDFPHPDXAI-VNQPRFMTSA-N 2 2 252.446 3.274 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000312312237 270092445 /nfs/dbraw/zinc/09/24/45/270092445.db2.gz ZZECTWBWRWPORU-USXIJHARSA-N 2 2 292.492 3.411 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000524771136 270114926 /nfs/dbraw/zinc/11/49/26/270114926.db2.gz CZGCTARIYGKZOK-CYBMUJFWSA-N 2 2 260.425 3.043 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000524771136 270114927 /nfs/dbraw/zinc/11/49/27/270114927.db2.gz CZGCTARIYGKZOK-CYBMUJFWSA-N 2 2 260.425 3.043 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000525874156 270120432 /nfs/dbraw/zinc/12/04/32/270120432.db2.gz NVTSXTITGDTMSS-HUUCEWRRSA-N 2 2 278.415 3.251 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000525874156 270120433 /nfs/dbraw/zinc/12/04/33/270120433.db2.gz NVTSXTITGDTMSS-HUUCEWRRSA-N 2 2 278.415 3.251 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)c[nH+]c12 ZINC000527739454 270133376 /nfs/dbraw/zinc/13/33/76/270133376.db2.gz NIAZQRKGXXNBPW-KFWWJZLASA-N 2 2 269.392 3.169 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527751646 270134397 /nfs/dbraw/zinc/13/43/97/270134397.db2.gz XNMZVOWJORGXQS-QAPCUYQASA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527751646 270134398 /nfs/dbraw/zinc/13/43/98/270134398.db2.gz XNMZVOWJORGXQS-QAPCUYQASA-N 2 2 270.420 3.063 20 0 CGADLP C([NH2+]C1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753003 270134485 /nfs/dbraw/zinc/13/44/85/270134485.db2.gz RELVSSOYPCVXIH-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527753003 270134486 /nfs/dbraw/zinc/13/44/86/270134486.db2.gz RELVSSOYPCVXIH-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP c1cc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2[nH]1 ZINC000527812509 270138084 /nfs/dbraw/zinc/13/80/84/270138084.db2.gz ULZZXTDNEBVCKI-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2[nH]1 ZINC000527812509 270138085 /nfs/dbraw/zinc/13/80/85/270138085.db2.gz ULZZXTDNEBVCKI-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c2[nH]1 ZINC000527808979 270137577 /nfs/dbraw/zinc/13/75/77/270137577.db2.gz RQKMLVUBFVLKEB-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c2[nH]1 ZINC000527808979 270137578 /nfs/dbraw/zinc/13/75/78/270137578.db2.gz RQKMLVUBFVLKEB-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000527843549 270139066 /nfs/dbraw/zinc/13/90/66/270139066.db2.gz OZOLMZHZPWEBEB-HNNXBMFYSA-N 2 2 293.773 3.343 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527844026 270139162 /nfs/dbraw/zinc/13/91/62/270139162.db2.gz GXQCVOWASZNORO-CWRNSKLLSA-N 2 2 258.409 3.068 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000527848718 270139667 /nfs/dbraw/zinc/13/96/67/270139667.db2.gz SNDBIEMEEGRXAV-INIZCTEOSA-N 2 2 257.381 3.241 20 0 CGADLP C1=CCC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000527943405 270146063 /nfs/dbraw/zinc/14/60/63/270146063.db2.gz KSUVTKRDKJNARZ-GOSISDBHSA-N 2 2 270.420 3.207 20 0 CGADLP C1=CCC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000527943405 270146064 /nfs/dbraw/zinc/14/60/64/270146064.db2.gz KSUVTKRDKJNARZ-GOSISDBHSA-N 2 2 270.420 3.207 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952467 270146287 /nfs/dbraw/zinc/14/62/87/270146287.db2.gz TWAZCVIWVADOLJ-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952467 270146288 /nfs/dbraw/zinc/14/62/88/270146288.db2.gz TWAZCVIWVADOLJ-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527997743 270149499 /nfs/dbraw/zinc/14/94/99/270149499.db2.gz ASVNWWDVVGSGNB-IRXDYDNUSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527997743 270149500 /nfs/dbraw/zinc/14/95/00/270149500.db2.gz ASVNWWDVVGSGNB-IRXDYDNUSA-N 2 2 262.441 3.172 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528000093 270149942 /nfs/dbraw/zinc/14/99/42/270149942.db2.gz IQYRKPGMSMDHTI-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528000093 270149943 /nfs/dbraw/zinc/14/99/43/270149943.db2.gz IQYRKPGMSMDHTI-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002831 270150125 /nfs/dbraw/zinc/15/01/25/270150125.db2.gz QYGOXESJVDNJQE-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002831 270150126 /nfs/dbraw/zinc/15/01/26/270150126.db2.gz QYGOXESJVDNJQE-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006977 270150904 /nfs/dbraw/zinc/15/09/04/270150904.db2.gz AMRFVWWHFASEKW-GOEBONIOSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008420 270151101 /nfs/dbraw/zinc/15/11/01/270151101.db2.gz DQYQWLOBZAJWFW-YOEHRIQHSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008420 270151102 /nfs/dbraw/zinc/15/11/02/270151102.db2.gz DQYQWLOBZAJWFW-YOEHRIQHSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000528015826 270151609 /nfs/dbraw/zinc/15/16/09/270151609.db2.gz ZCNLSYFDTGZHBS-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000528015826 270151610 /nfs/dbraw/zinc/15/16/10/270151610.db2.gz ZCNLSYFDTGZHBS-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528656829 270169743 /nfs/dbraw/zinc/16/97/43/270169743.db2.gz ULQWUUVYGCITEC-SFHVURJKSA-N 2 2 281.403 3.459 20 0 CGADLP CCC(C)(C)OC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000529639395 270186681 /nfs/dbraw/zinc/18/66/81/270186681.db2.gz CMUJWSLAQVUHFM-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000530222971 270196451 /nfs/dbraw/zinc/19/64/51/270196451.db2.gz SGCUAPJZZNRKDA-JKSUJKDBSA-N 2 2 273.424 3.043 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc2ccccc2o1 ZINC000530223604 270196372 /nfs/dbraw/zinc/19/63/72/270196372.db2.gz TXCZQHTUZXNKKC-MLGOLLRUSA-N 2 2 270.376 3.368 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224886 270196713 /nfs/dbraw/zinc/19/67/13/270196713.db2.gz WEEKYSUPSCGPRI-BMFZPTHFSA-N 2 2 270.420 3.418 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530244428 270197194 /nfs/dbraw/zinc/19/71/94/270197194.db2.gz LJBDDHSAEOWXLH-INIZCTEOSA-N 2 2 258.409 3.013 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000531939959 270211035 /nfs/dbraw/zinc/21/10/35/270211035.db2.gz BWYIVZLQYIYUMZ-RYUDHWBXSA-N 2 2 293.798 3.284 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965582 270211676 /nfs/dbraw/zinc/21/16/76/270211676.db2.gz MXOMORVIIWJWNC-GJZGRUSLSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531957526 270211807 /nfs/dbraw/zinc/21/18/07/270211807.db2.gz RZMLLBCZODRUPI-SUMWQHHRSA-N 2 2 287.382 3.326 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531983628 270212436 /nfs/dbraw/zinc/21/24/36/270212436.db2.gz HJCNYADAPUEFDB-KDOFPFPSSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531983628 270212437 /nfs/dbraw/zinc/21/24/37/270212437.db2.gz HJCNYADAPUEFDB-KDOFPFPSSA-N 2 2 288.435 3.004 20 0 CGADLP COC[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280173029 274041849 /nfs/dbraw/zinc/04/18/49/274041849.db2.gz GEHGSCWOGDAAMY-CYBMUJFWSA-N 2 2 287.407 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Cl ZINC000335209303 274259603 /nfs/dbraw/zinc/25/96/03/274259603.db2.gz GQAHOQGYTOYSTQ-ZYHUDNBSSA-N 2 2 293.773 3.341 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000261551011 274263032 /nfs/dbraw/zinc/26/30/32/274263032.db2.gz LTFIETGIDPLJNX-SBMIAAHKSA-N 2 2 270.829 3.202 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2sccc21 ZINC000423557721 274318719 /nfs/dbraw/zinc/31/87/19/274318719.db2.gz NOZGFCUQNLMLRG-DYEKYZERSA-N 2 2 264.438 3.418 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516966701 274801620 /nfs/dbraw/zinc/80/16/20/274801620.db2.gz ALAWOTDMVHCKOB-CQSZACIVSA-N 2 2 292.386 3.271 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000280308179 274850800 /nfs/dbraw/zinc/85/08/00/274850800.db2.gz WPYNKMGGSFSHBT-MRXNPFEDSA-N 2 2 299.418 3.161 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CS1 ZINC000488432435 276001973 /nfs/dbraw/zinc/00/19/73/276001973.db2.gz IPPYTGBXUJVEED-PMPSAXMXSA-N 2 2 284.513 3.227 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000158613834 276025467 /nfs/dbraw/zinc/02/54/67/276025467.db2.gz KEPBCVRRCXJVDP-MRXNPFEDSA-N 2 2 298.434 3.288 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000158613695 276044795 /nfs/dbraw/zinc/04/47/95/276044795.db2.gz KEPBCVRRCXJVDP-INIZCTEOSA-N 2 2 298.434 3.288 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000345688198 276151302 /nfs/dbraw/zinc/15/13/02/276151302.db2.gz HRDWINQOBFGGLV-ZDUSSCGKSA-N 2 2 292.471 3.081 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000479443781 276181026 /nfs/dbraw/zinc/18/10/26/276181026.db2.gz ZVDRZWFJKCMQBM-QSJFSLAZSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000479443781 276181028 /nfs/dbraw/zinc/18/10/28/276181028.db2.gz ZVDRZWFJKCMQBM-QSJFSLAZSA-N 2 2 262.441 3.194 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344063468 276325080 /nfs/dbraw/zinc/32/50/80/276325080.db2.gz CNNOIPBZGXVXDF-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344063468 276325082 /nfs/dbraw/zinc/32/50/82/276325082.db2.gz CNNOIPBZGXVXDF-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423142890 276534725 /nfs/dbraw/zinc/53/47/25/276534725.db2.gz BNYKFIGPEFSWBI-IKGGRYGDSA-N 2 2 276.399 3.323 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000020007178 276762866 /nfs/dbraw/zinc/76/28/66/276762866.db2.gz NTFZKIKVZGRURO-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP C[N@@H+]1CCCC12CCN(c1[nH+]ccc3cc(F)ccc31)CC2 ZINC000335483727 277042553 /nfs/dbraw/zinc/04/25/53/277042553.db2.gz MGOBHIXZHGCOJO-UHFFFAOYSA-N 2 2 299.393 3.439 20 0 CGADLP C[N@H+]1CCCC12CCN(c1[nH+]ccc3cc(F)ccc31)CC2 ZINC000335483727 277042555 /nfs/dbraw/zinc/04/25/55/277042555.db2.gz MGOBHIXZHGCOJO-UHFFFAOYSA-N 2 2 299.393 3.439 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000226014263 277064301 /nfs/dbraw/zinc/06/43/01/277064301.db2.gz MWFVDNFZJHXMDF-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000226014263 277064302 /nfs/dbraw/zinc/06/43/02/277064302.db2.gz MWFVDNFZJHXMDF-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289357601 277081823 /nfs/dbraw/zinc/08/18/23/277081823.db2.gz YUCMYHBZBLKITL-GUYCJALGSA-N 2 2 283.419 3.229 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289357601 277081824 /nfs/dbraw/zinc/08/18/24/277081824.db2.gz YUCMYHBZBLKITL-GUYCJALGSA-N 2 2 283.419 3.229 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000414687038 277489045 /nfs/dbraw/zinc/48/90/45/277489045.db2.gz BHPGXMYUFSFSOB-HNNXBMFYSA-N 2 2 282.472 3.174 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000394808173 288004211 /nfs/dbraw/zinc/00/42/11/288004211.db2.gz IMGHKMWZHHAMEX-HNNXBMFYSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000423245244 278049980 /nfs/dbraw/zinc/04/99/80/278049980.db2.gz OIULGYHJUCMARY-ZTFGCOKTSA-N 2 2 290.451 3.215 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCCC1(C)C)Cc1ccccc1 ZINC000395741784 288010670 /nfs/dbraw/zinc/01/06/70/288010670.db2.gz KLZOSVXJRGOZDZ-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCCC1(C)C)Cc1ccccc1 ZINC000395741784 288010671 /nfs/dbraw/zinc/01/06/71/288010671.db2.gz KLZOSVXJRGOZDZ-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000359655277 278168388 /nfs/dbraw/zinc/16/83/88/278168388.db2.gz XWYMZPQBNLLPME-GRYCIOLGSA-N 2 2 278.362 3.322 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000359655277 278168391 /nfs/dbraw/zinc/16/83/91/278168391.db2.gz XWYMZPQBNLLPME-GRYCIOLGSA-N 2 2 278.362 3.322 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000194866134 278177481 /nfs/dbraw/zinc/17/74/81/278177481.db2.gz LYBKFQQYDWMGDT-QWHCGFSZSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000194866134 278177482 /nfs/dbraw/zinc/17/74/82/278177482.db2.gz LYBKFQQYDWMGDT-QWHCGFSZSA-N 2 2 264.438 3.153 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1Cl ZINC000336564550 278375991 /nfs/dbraw/zinc/37/59/91/278375991.db2.gz KQGHJZJZFWTQKB-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1Cl ZINC000336564550 278375992 /nfs/dbraw/zinc/37/59/92/278375992.db2.gz KQGHJZJZFWTQKB-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373879561 278443817 /nfs/dbraw/zinc/44/38/17/278443817.db2.gz COPICYOFAUCFGO-UKRRQHHQSA-N 2 2 275.440 3.176 20 0 CGADLP COc1cccc2c1CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000428283777 288064778 /nfs/dbraw/zinc/06/47/78/288064778.db2.gz VKMAKGQWVFSGFP-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP COc1cccc2c1CC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000428283777 288064781 /nfs/dbraw/zinc/06/47/81/288064781.db2.gz VKMAKGQWVFSGFP-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390355 288089993 /nfs/dbraw/zinc/08/99/93/288089993.db2.gz VPKBPSBOTIMIQN-AEFFLSMTSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390355 288089995 /nfs/dbraw/zinc/08/99/95/288089995.db2.gz VPKBPSBOTIMIQN-AEFFLSMTSA-N 2 2 286.463 3.329 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+](C)C ZINC000474047666 278989658 /nfs/dbraw/zinc/98/96/58/278989658.db2.gz QKLWSWKPGVGFLT-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000019905951 279165768 /nfs/dbraw/zinc/16/57/68/279165768.db2.gz UUACXCLMGOBESE-JKSUJKDBSA-N 2 2 278.465 3.165 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748391 279398213 /nfs/dbraw/zinc/39/82/13/279398213.db2.gz RQSIGVHVBNCPIM-UKRRQHHQSA-N 2 2 292.471 3.012 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748391 279398214 /nfs/dbraw/zinc/39/82/14/279398214.db2.gz RQSIGVHVBNCPIM-UKRRQHHQSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748391 279398215 /nfs/dbraw/zinc/39/82/15/279398215.db2.gz RQSIGVHVBNCPIM-UKRRQHHQSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000353748391 279398216 /nfs/dbraw/zinc/39/82/16/279398216.db2.gz RQSIGVHVBNCPIM-UKRRQHHQSA-N 2 2 292.471 3.012 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cc3ccccc3o2)n1C ZINC000521900155 288143159 /nfs/dbraw/zinc/14/31/59/288143159.db2.gz DFGABBHARIMTLP-LLVKDONJSA-N 2 2 269.348 3.326 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370261561 279635803 /nfs/dbraw/zinc/63/58/03/279635803.db2.gz NCGJTNVAPXCSTQ-GXTWGEPZSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)[C@H](C[NH2+]CC1(F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000527223232 288157325 /nfs/dbraw/zinc/15/73/25/288157325.db2.gz YDKCNQRWMBTVGD-KRWDZBQOSA-N 2 2 290.426 3.161 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527649127 288181906 /nfs/dbraw/zinc/18/19/06/288181906.db2.gz LGIZIBRMLVUWIK-UHFFFAOYSA-N 2 2 281.831 3.089 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000346951190 280007765 /nfs/dbraw/zinc/00/77/65/280007765.db2.gz XGLXZMCIWPCNFB-RDJZCZTQSA-N 2 2 284.447 3.367 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000346951190 280007768 /nfs/dbraw/zinc/00/77/68/280007768.db2.gz XGLXZMCIWPCNFB-RDJZCZTQSA-N 2 2 284.447 3.367 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@@H+]1C ZINC000459483390 280119006 /nfs/dbraw/zinc/11/90/06/280119006.db2.gz ONEGOJPIDVTDLF-SUMWQHHRSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@H+]1C ZINC000459483390 280119010 /nfs/dbraw/zinc/11/90/10/280119010.db2.gz ONEGOJPIDVTDLF-SUMWQHHRSA-N 2 2 258.409 3.136 20 0 CGADLP c1cc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2[nH]1 ZINC000529526060 288258490 /nfs/dbraw/zinc/25/84/90/288258490.db2.gz PVEDUULELUKKNQ-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530176682 288294450 /nfs/dbraw/zinc/29/44/50/288294450.db2.gz FOZLWJCVKAYECT-CYBMUJFWSA-N 2 2 284.325 3.080 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355424 281303784 /nfs/dbraw/zinc/30/37/84/281303784.db2.gz FKRDNNWVEVOFLR-RUAUBTSSSA-N 2 2 258.409 3.131 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000531729161 288344881 /nfs/dbraw/zinc/34/48/81/288344881.db2.gz JELZHGKCHNCEJG-RDJZCZTQSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000531729161 288344882 /nfs/dbraw/zinc/34/48/82/288344882.db2.gz JELZHGKCHNCEJG-RDJZCZTQSA-N 2 2 288.435 3.140 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728967 288344262 /nfs/dbraw/zinc/34/42/62/288344262.db2.gz VARXFAWJECFODV-RHSMWYFYSA-N 2 2 272.436 3.340 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728967 288344264 /nfs/dbraw/zinc/34/42/64/288344264.db2.gz VARXFAWJECFODV-RHSMWYFYSA-N 2 2 272.436 3.340 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446957 288361044 /nfs/dbraw/zinc/36/10/44/288361044.db2.gz GONQVAKBDUQLTD-FMKPAKJESA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446957 288361045 /nfs/dbraw/zinc/36/10/45/288361045.db2.gz GONQVAKBDUQLTD-FMKPAKJESA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532497575 288365605 /nfs/dbraw/zinc/36/56/05/288365605.db2.gz CGXOCEXYQXDISP-VGWMRTNUSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532497575 288365606 /nfs/dbraw/zinc/36/56/06/288365606.db2.gz CGXOCEXYQXDISP-VGWMRTNUSA-N 2 2 252.446 3.131 20 0 CGADLP CCc1cc(NCCCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000537603774 288536775 /nfs/dbraw/zinc/53/67/75/288536775.db2.gz ICDLMUWLHNQLRD-UHFFFAOYSA-N 2 2 294.402 3.308 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000540597596 288663371 /nfs/dbraw/zinc/66/33/71/288663371.db2.gz UZSVTWUDRCKVNN-HZPDHXFCSA-N 2 2 293.455 3.237 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000443214448 292689048 /nfs/dbraw/zinc/68/90/48/292689048.db2.gz KWUKXHDEOKDSOJ-JZXOWHBKSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000554096536 289258607 /nfs/dbraw/zinc/25/86/07/289258607.db2.gz MKHXAMGGYNRWGP-UAGQMJEPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281888 289266330 /nfs/dbraw/zinc/26/63/30/289266330.db2.gz RDBIPHDJVHEREU-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281888 289266334 /nfs/dbraw/zinc/26/63/34/289266334.db2.gz RDBIPHDJVHEREU-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000554851660 289313357 /nfs/dbraw/zinc/31/33/57/289313357.db2.gz IGSXSABNECDXEA-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP CC1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000557271405 289436021 /nfs/dbraw/zinc/43/60/21/289436021.db2.gz CKZHTQJIMUZRCE-UHFFFAOYSA-N 2 2 257.381 3.045 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000560880458 289618802 /nfs/dbraw/zinc/61/88/02/289618802.db2.gz WMAICOLKVFIARR-LSDHHAIUSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000090667890 289940073 /nfs/dbraw/zinc/94/00/73/289940073.db2.gz PPTFGZMERHJBQY-GJZGRUSLSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292272556 290213938 /nfs/dbraw/zinc/21/39/38/290213938.db2.gz ZUGIRSZOYKKZCG-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292272556 290213942 /nfs/dbraw/zinc/21/39/42/290213942.db2.gz ZUGIRSZOYKKZCG-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292272556 290213946 /nfs/dbraw/zinc/21/39/46/290213946.db2.gz ZUGIRSZOYKKZCG-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292272556 290213949 /nfs/dbraw/zinc/21/39/49/290213949.db2.gz ZUGIRSZOYKKZCG-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000359498145 294109214 /nfs/dbraw/zinc/10/92/14/294109214.db2.gz BTYLBJCMJCXHGH-HNNXBMFYSA-N 2 2 294.826 3.239 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908985 294474208 /nfs/dbraw/zinc/47/42/08/294474208.db2.gz DZXMFMJQOVWRCX-MPTQWLOMSA-N 2 2 296.842 3.146 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000230000884 295229733 /nfs/dbraw/zinc/22/97/33/295229733.db2.gz JWHBKMDNQKZPCX-UHFFFAOYSA-N 2 2 272.367 3.177 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000230000884 295229735 /nfs/dbraw/zinc/22/97/35/295229735.db2.gz JWHBKMDNQKZPCX-UHFFFAOYSA-N 2 2 272.367 3.177 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423287959 301287738 /nfs/dbraw/zinc/28/77/38/301287738.db2.gz PPXTYPCHNXZOCI-ZDUSSCGKSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1C ZINC000582073345 327831571 /nfs/dbraw/zinc/83/15/71/327831571.db2.gz AZLHITNSUREFEH-SOUVJXGZSA-N 2 2 261.413 3.177 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000563486184 322000288 /nfs/dbraw/zinc/00/02/88/322000288.db2.gz WNVFEULTQDMYIY-MCIONIFRSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000563486184 322000290 /nfs/dbraw/zinc/00/02/90/322000290.db2.gz WNVFEULTQDMYIY-MCIONIFRSA-N 2 2 261.413 3.216 20 0 CGADLP COc1cccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c12 ZINC000564523667 322033346 /nfs/dbraw/zinc/03/33/46/322033346.db2.gz QWMUPSOPISQOCB-UHFFFAOYSA-N 2 2 296.374 3.332 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000564893287 322048291 /nfs/dbraw/zinc/04/82/91/322048291.db2.gz KTPLDMVTTSOQBY-ZIAGYGMSSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000564893287 322048294 /nfs/dbraw/zinc/04/82/94/322048294.db2.gz KTPLDMVTTSOQBY-ZIAGYGMSSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1ccc2cc[nH+]c(N(C)CC[N@@H+](C)C3CC3)c2c1 ZINC000564893231 322048305 /nfs/dbraw/zinc/04/83/05/322048305.db2.gz KKQMQZJEEXNNPO-UHFFFAOYSA-N 2 2 269.392 3.074 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565153374 322063041 /nfs/dbraw/zinc/06/30/41/322063041.db2.gz QDQPJLAATSVWQF-WMLDXEAASA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000565153374 322063042 /nfs/dbraw/zinc/06/30/42/322063042.db2.gz QDQPJLAATSVWQF-WMLDXEAASA-N 2 2 290.426 3.363 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cc(F)cc2cccnc21 ZINC000565550834 322081834 /nfs/dbraw/zinc/08/18/34/322081834.db2.gz ZTQZCLAOAZNICJ-UHFFFAOYSA-N 2 2 299.393 3.077 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cc(F)cc2cccnc21 ZINC000565550834 322081836 /nfs/dbraw/zinc/08/18/36/322081836.db2.gz ZTQZCLAOAZNICJ-UHFFFAOYSA-N 2 2 299.393 3.077 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000565638277 322084919 /nfs/dbraw/zinc/08/49/19/322084919.db2.gz BAGSPKKOLAETEN-HZPDHXFCSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000565638277 322084921 /nfs/dbraw/zinc/08/49/21/322084921.db2.gz BAGSPKKOLAETEN-HZPDHXFCSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000565673840 322086408 /nfs/dbraw/zinc/08/64/08/322086408.db2.gz GTGYBOVJCQLVDM-XUWVNRHRSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000565673840 322086410 /nfs/dbraw/zinc/08/64/10/322086410.db2.gz GTGYBOVJCQLVDM-XUWVNRHRSA-N 2 2 270.436 3.367 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)n1C ZINC000565672532 322086732 /nfs/dbraw/zinc/08/67/32/322086732.db2.gz WVNSRXKOAHPMCB-INIZCTEOSA-N 2 2 269.392 3.241 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000565904388 322096389 /nfs/dbraw/zinc/09/63/89/322096389.db2.gz NKZOUKDRCOWFMD-WMLDXEAASA-N 2 2 296.418 3.341 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565904388 322096390 /nfs/dbraw/zinc/09/63/90/322096390.db2.gz NKZOUKDRCOWFMD-WMLDXEAASA-N 2 2 296.418 3.341 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C1CCCCC1 ZINC000569096394 322234779 /nfs/dbraw/zinc/23/47/79/322234779.db2.gz YJVCJIVKVWLKGI-CYBMUJFWSA-N 2 2 279.453 3.018 20 0 CGADLP CC[C@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000569645186 322252851 /nfs/dbraw/zinc/25/28/51/322252851.db2.gz LCDPZEXCGTVMGF-QGZVFWFLSA-N 2 2 272.436 3.213 20 0 CGADLP CC[C@H](C[NH2+]CC1(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000569645186 322252852 /nfs/dbraw/zinc/25/28/52/322252852.db2.gz LCDPZEXCGTVMGF-QGZVFWFLSA-N 2 2 272.436 3.213 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[NH+]1CCCC1 ZINC000570030904 322263298 /nfs/dbraw/zinc/26/32/98/322263298.db2.gz NGXKRVMKJOBOQP-RYQLBKOJSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)sc2Cl)n1C ZINC000571345828 322296433 /nfs/dbraw/zinc/29/64/33/322296433.db2.gz SRYKHNWSXPXVHB-UHFFFAOYSA-N 2 2 290.219 3.387 20 0 CGADLP CCc1[nH+]c2ccccc2c(NCc2[nH+]ccn2CC)c1C ZINC000571630680 322303794 /nfs/dbraw/zinc/30/37/94/322303794.db2.gz JQKLGFANERLMFF-UHFFFAOYSA-N 2 2 294.402 3.356 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1C ZINC000571778626 322307798 /nfs/dbraw/zinc/30/77/98/322307798.db2.gz OWRBEIAJVXKRNK-UHOFOFEASA-N 2 2 263.429 3.279 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278801 322329265 /nfs/dbraw/zinc/32/92/65/322329265.db2.gz CNKCVCVBPZVUDG-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278801 322329268 /nfs/dbraw/zinc/32/92/68/322329268.db2.gz CNKCVCVBPZVUDG-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@@H]1C1CC1)CCCC2 ZINC000572786638 322355146 /nfs/dbraw/zinc/35/51/46/322355146.db2.gz JRGCBTCOCJOYMT-CVEARBPZSA-N 2 2 273.424 3.278 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000573665471 322399570 /nfs/dbraw/zinc/39/95/70/322399570.db2.gz IRVQFGVPLGOWJG-HRSCSKTISA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000573665471 322399573 /nfs/dbraw/zinc/39/95/73/322399573.db2.gz IRVQFGVPLGOWJG-HRSCSKTISA-N 2 2 284.447 3.395 20 0 CGADLP CSc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000583663229 328728830 /nfs/dbraw/zinc/72/88/30/328728830.db2.gz USMFTFWWYMVSQW-UHFFFAOYSA-N 2 2 281.450 3.237 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)o1 ZINC000582586147 329112525 /nfs/dbraw/zinc/11/25/25/329112525.db2.gz RUYVTLRXZZEPND-HUUCEWRRSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)o1 ZINC000582586147 329112527 /nfs/dbraw/zinc/11/25/27/329112527.db2.gz RUYVTLRXZZEPND-HUUCEWRRSA-N 2 2 294.439 3.048 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)cc1F ZINC000582677084 329123016 /nfs/dbraw/zinc/12/30/16/329123016.db2.gz LLNYUFINQMARTR-OAHLLOKOSA-N 2 2 279.334 3.248 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000576273510 335180715 /nfs/dbraw/zinc/18/07/15/335180715.db2.gz AKHPPZRHIXDYBZ-GJZGRUSLSA-N 2 2 292.471 3.133 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000576273510 335180716 /nfs/dbraw/zinc/18/07/16/335180716.db2.gz AKHPPZRHIXDYBZ-GJZGRUSLSA-N 2 2 292.471 3.133 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccoc1 ZINC000178701601 335445953 /nfs/dbraw/zinc/44/59/53/335445953.db2.gz YUYYRNYKTUAIKD-GFCCVEGCSA-N 2 2 269.348 3.439 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CCC2)C[N@@H+]1C1CC1 ZINC000385187965 336141498 /nfs/dbraw/zinc/14/14/98/336141498.db2.gz OCUIIFRMDVPOLP-GXTWGEPZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CCC2)C[N@H+]1C1CC1 ZINC000385187965 336141500 /nfs/dbraw/zinc/14/15/00/336141500.db2.gz OCUIIFRMDVPOLP-GXTWGEPZSA-N 2 2 250.430 3.028 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000581859962 336152868 /nfs/dbraw/zinc/15/28/68/336152868.db2.gz MZEVGWBVXZBEOR-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000581859962 336152869 /nfs/dbraw/zinc/15/28/69/336152869.db2.gz MZEVGWBVXZBEOR-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC(C)C1CC([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000386917796 336182139 /nfs/dbraw/zinc/18/21/39/336182139.db2.gz QYFYMFYGZNVVOD-UHFFFAOYSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)C1CC([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000386917796 336182141 /nfs/dbraw/zinc/18/21/41/336182141.db2.gz QYFYMFYGZNVVOD-UHFFFAOYSA-N 2 2 260.425 3.143 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365404152 533816792 /nfs/dbraw/zinc/81/67/92/533816792.db2.gz OVWGYTSJSDXVCW-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365404152 533816806 /nfs/dbraw/zinc/81/68/06/533816806.db2.gz OVWGYTSJSDXVCW-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365404153 533818310 /nfs/dbraw/zinc/81/83/10/533818310.db2.gz OVWGYTSJSDXVCW-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365404153 533818317 /nfs/dbraw/zinc/81/83/17/533818317.db2.gz OVWGYTSJSDXVCW-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368448778 533877635 /nfs/dbraw/zinc/87/76/35/533877635.db2.gz DZRLXZQACVXCGT-SDDRHHMPSA-N 2 2 295.839 3.380 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000411386177 534054615 /nfs/dbraw/zinc/05/46/15/534054615.db2.gz JJOCJYJMPWBBCX-RNJTYBCJSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000411386177 534054623 /nfs/dbraw/zinc/05/46/23/534054623.db2.gz JJOCJYJMPWBBCX-RNJTYBCJSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000437754148 534187331 /nfs/dbraw/zinc/18/73/31/534187331.db2.gz AQZKBITWSUNSQG-MSOLQXFVSA-N 2 2 272.436 3.182 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000449223146 534258932 /nfs/dbraw/zinc/25/89/32/534258932.db2.gz JIUUCFTYCZPKCO-AWEZNQCLSA-N 2 2 297.402 3.320 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000156765694 519796286 /nfs/dbraw/zinc/79/62/86/519796286.db2.gz STVMSIHZSDCVKQ-INIZCTEOSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000156765694 519796287 /nfs/dbraw/zinc/79/62/87/519796287.db2.gz STVMSIHZSDCVKQ-INIZCTEOSA-N 2 2 287.407 3.147 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]C3(C4CCC4)CCC3)CC2)c1 ZINC000414175101 534508342 /nfs/dbraw/zinc/50/83/42/534508342.db2.gz IBWQKZCUKVLJBH-UHFFFAOYSA-N 2 2 299.462 3.358 20 0 CGADLP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cc21 ZINC000436239703 534528066 /nfs/dbraw/zinc/52/80/66/534528066.db2.gz IOLOJBZGNSRPSR-GFCCVEGCSA-N 2 2 298.365 3.171 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151358736 522652087 /nfs/dbraw/zinc/65/20/87/522652087.db2.gz KMCZETBNDIFLAT-KRWDZBQOSA-N 2 2 269.392 3.210 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccccc2o1 ZINC000075860198 522936706 /nfs/dbraw/zinc/93/67/06/522936706.db2.gz GHVIEBYXQXHAST-CQSZACIVSA-N 2 2 287.407 3.134 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccccc2o1 ZINC000075860198 522936716 /nfs/dbraw/zinc/93/67/16/522936716.db2.gz GHVIEBYXQXHAST-CQSZACIVSA-N 2 2 287.407 3.134 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nc2ccccc2o1 ZINC000075860198 522936725 /nfs/dbraw/zinc/93/67/25/522936725.db2.gz GHVIEBYXQXHAST-CQSZACIVSA-N 2 2 287.407 3.134 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nc2ccccc2o1 ZINC000075860198 522936734 /nfs/dbraw/zinc/93/67/34/522936734.db2.gz GHVIEBYXQXHAST-CQSZACIVSA-N 2 2 287.407 3.134 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423270501 534677815 /nfs/dbraw/zinc/67/78/15/534677815.db2.gz GLENLQZEPPXZKQ-CHWSQXEVSA-N 2 2 282.840 3.204 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946851 525588409 /nfs/dbraw/zinc/58/84/09/525588409.db2.gz JZPKAMSTYUYVRM-SOUVJXGZSA-N 2 2 287.451 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946851 525588412 /nfs/dbraw/zinc/58/84/12/525588412.db2.gz JZPKAMSTYUYVRM-SOUVJXGZSA-N 2 2 287.451 3.028 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156308124 526099664 /nfs/dbraw/zinc/09/96/64/526099664.db2.gz CMVWEQFDHCRJQN-PBHICJAKSA-N 2 2 268.360 3.296 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156308124 526099669 /nfs/dbraw/zinc/09/96/69/526099669.db2.gz CMVWEQFDHCRJQN-PBHICJAKSA-N 2 2 268.360 3.296 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156371714 526947064 /nfs/dbraw/zinc/94/70/64/526947064.db2.gz XOLQGMGDQLOPSA-INIZCTEOSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156371714 526947067 /nfs/dbraw/zinc/94/70/67/526947067.db2.gz XOLQGMGDQLOPSA-INIZCTEOSA-N 2 2 288.778 3.388 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000157450314 527419151 /nfs/dbraw/zinc/41/91/51/527419151.db2.gz YKLDGUHJHGPHCQ-HOTGVXAUSA-N 2 2 274.314 3.199 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1F ZINC000449048878 527897896 /nfs/dbraw/zinc/89/78/96/527897896.db2.gz QJSHIQTWCGWEBU-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1F ZINC000449048878 527897900 /nfs/dbraw/zinc/89/79/00/527897900.db2.gz QJSHIQTWCGWEBU-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1F ZINC000449048878 527897904 /nfs/dbraw/zinc/89/79/04/527897904.db2.gz QJSHIQTWCGWEBU-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1F ZINC000449048878 527897908 /nfs/dbraw/zinc/89/79/08/527897908.db2.gz QJSHIQTWCGWEBU-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1C ZINC000440329742 527898936 /nfs/dbraw/zinc/89/89/36/527898936.db2.gz URFCOLVXBZKCRM-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1C ZINC000440329742 527898942 /nfs/dbraw/zinc/89/89/42/527898942.db2.gz URFCOLVXBZKCRM-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1C ZINC000440329742 527898950 /nfs/dbraw/zinc/89/89/50/527898950.db2.gz URFCOLVXBZKCRM-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1C ZINC000440329742 527898956 /nfs/dbraw/zinc/89/89/56/527898956.db2.gz URFCOLVXBZKCRM-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC1(F)CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000449371312 528017139 /nfs/dbraw/zinc/01/71/39/528017139.db2.gz SVSFNKRDIGJHLE-KLAILNCOSA-N 2 2 276.399 3.131 20 0 CGADLP CC1(F)CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449371312 528017143 /nfs/dbraw/zinc/01/71/43/528017143.db2.gz SVSFNKRDIGJHLE-KLAILNCOSA-N 2 2 276.399 3.131 20 0 CGADLP CC[NH+](CC)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449218615 528137482 /nfs/dbraw/zinc/13/74/82/528137482.db2.gz JZYKDSVOIZMYQJ-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423392518 528315609 /nfs/dbraw/zinc/31/56/09/528315609.db2.gz XPIKGRNPUQILQS-WOPDTQHZSA-N 2 2 267.442 3.058 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000423239818 528334058 /nfs/dbraw/zinc/33/40/58/528334058.db2.gz SOOWHVPOKFUXLR-SECBINFHSA-N 2 2 291.258 3.079 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000423238945 528335861 /nfs/dbraw/zinc/33/58/61/528335861.db2.gz GBCCSDOFVBZQQH-AWEZNQCLSA-N 2 2 272.795 3.375 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423315271 528512592 /nfs/dbraw/zinc/51/25/92/528512592.db2.gz XEGYDUJHQUZJFB-HNNXBMFYSA-N 2 2 283.419 3.399 20 0 CGADLP CCOC1CC([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443217175 528513287 /nfs/dbraw/zinc/51/32/87/528513287.db2.gz RIGLYRGGVWCTAK-YHOLWWCESA-N 2 2 290.451 3.143 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423314544 528516046 /nfs/dbraw/zinc/51/60/46/528516046.db2.gz WDHFINIGBMCWIP-OAHLLOKOSA-N 2 2 283.419 3.399 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000423308804 528516186 /nfs/dbraw/zinc/51/61/86/528516186.db2.gz KAUDTDMDKHFXSV-CYBMUJFWSA-N 2 2 254.443 3.425 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)oc21 ZINC000423470917 528699356 /nfs/dbraw/zinc/69/93/56/528699356.db2.gz PKYXNWWOCAFWTC-DGCLKSJQSA-N 2 2 276.380 3.219 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc21 ZINC000423277451 528699536 /nfs/dbraw/zinc/69/95/36/528699536.db2.gz OCOPRRHSDDABAO-BXUZGUMPSA-N 2 2 288.391 3.219 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423297783 528821752 /nfs/dbraw/zinc/82/17/52/528821752.db2.gz LVWYVTBUHJBIJR-QWRGUYRKSA-N 2 2 256.340 3.133 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423293572 528955209 /nfs/dbraw/zinc/95/52/09/528955209.db2.gz AFBRIIHKOASFPK-LSDHHAIUSA-N 2 2 286.423 3.040 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436282539 529083193 /nfs/dbraw/zinc/08/31/93/529083193.db2.gz RKNAWVZZLXWJNG-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436282539 529083195 /nfs/dbraw/zinc/08/31/95/529083195.db2.gz RKNAWVZZLXWJNG-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224064 529092656 /nfs/dbraw/zinc/09/26/56/529092656.db2.gz IKCWOOAYMSSKRX-LZLYRXPVSA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224064 529092659 /nfs/dbraw/zinc/09/26/59/529092659.db2.gz IKCWOOAYMSSKRX-LZLYRXPVSA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358136717 529206609 /nfs/dbraw/zinc/20/66/09/529206609.db2.gz AGGIEGNORLZPGJ-LSDHHAIUSA-N 2 2 275.440 3.070 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000450716803 536105413 /nfs/dbraw/zinc/10/54/13/536105413.db2.gz KJGVWEFAICELON-INIZCTEOSA-N 2 2 297.446 3.427 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000450716803 536105419 /nfs/dbraw/zinc/10/54/19/536105419.db2.gz KJGVWEFAICELON-INIZCTEOSA-N 2 2 297.446 3.427 20 0 CGADLP CC[C@@H](C[NH2+]Cc1ccoc1)[N@@H+]1CCc2ccccc2C1 ZINC000727465965 571749049 /nfs/dbraw/zinc/74/90/49/571749049.db2.gz VXDDXURCNWHZHW-SFHVURJKSA-N 2 2 284.403 3.206 20 0 CGADLP CC[C@@H](C[NH2+]Cc1ccoc1)[N@H+]1CCc2ccccc2C1 ZINC000727465965 571749054 /nfs/dbraw/zinc/74/90/54/571749054.db2.gz VXDDXURCNWHZHW-SFHVURJKSA-N 2 2 284.403 3.206 20 0 CGADLP COc1c(C)c[nH+]c(CNc2ccc(C)c[nH+]2)c1C ZINC000742399809 572576977 /nfs/dbraw/zinc/57/69/77/572576977.db2.gz SWWYPPOZCMFORX-UHFFFAOYSA-N 2 2 257.337 3.023 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000081636685 617990065 /nfs/dbraw/zinc/99/00/65/617990065.db2.gz FMALOMHZCOXPCX-HYVNUMGLSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cnc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000891844652 618339592 /nfs/dbraw/zinc/33/95/92/618339592.db2.gz KCUWWRICSZZNDZ-UHFFFAOYSA-N 2 2 290.798 3.146 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719699 618838750 /nfs/dbraw/zinc/83/87/50/618838750.db2.gz WTHKWWKGMRWPMK-WBVHZDCISA-N 2 2 296.499 3.146 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000924573541 618856270 /nfs/dbraw/zinc/85/62/70/618856270.db2.gz QDQPEJRKHPCMFP-GJZGRUSLSA-N 2 2 291.439 3.005 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924573541 618856272 /nfs/dbraw/zinc/85/62/72/618856272.db2.gz QDQPEJRKHPCMFP-GJZGRUSLSA-N 2 2 291.439 3.005 20 0 CGADLP CCSCc1cc[nH+]c(NCC2CC[NH+](C)CC2)c1 ZINC000893243108 619041545 /nfs/dbraw/zinc/04/15/45/619041545.db2.gz ASDDGMPBQUPVDJ-UHFFFAOYSA-N 2 2 279.453 3.088 20 0 CGADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925665112 619118567 /nfs/dbraw/zinc/11/85/67/619118567.db2.gz ILMPKYUXLMPTHW-ATZDWAIDSA-N 2 2 298.430 3.015 20 0 CGADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893966174 619341305 /nfs/dbraw/zinc/34/13/05/619341305.db2.gz IXVFPSNLENGUSA-ZSQCLPQSSA-N 2 2 285.366 3.442 20 0 CGADLP C[C@H](c1ccccn1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110323 619733953 /nfs/dbraw/zinc/73/39/53/619733953.db2.gz IKVYBRKSOOEBQC-BZUAXINKSA-N 2 2 296.418 3.314 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705766 619873374 /nfs/dbraw/zinc/87/33/74/619873374.db2.gz FRYWGRHRVKOBFN-VNQPRFMTSA-N 2 2 287.432 3.108 20 0 CGADLP CN(C)c1cc[nH+]c(C[NH2+]CC(C)(C)Oc2ccccc2)c1 ZINC000896297392 619988466 /nfs/dbraw/zinc/98/84/66/619988466.db2.gz AUJGQVZQUMBJBF-UHFFFAOYSA-N 2 2 299.418 3.095 20 0 CGADLP CCn1c[nH+]c2c1CCN(c1cc(C)[nH+]c3ccccc31)C2 ZINC000896659496 620042193 /nfs/dbraw/zinc/04/21/93/620042193.db2.gz JQQUJTFWCADBRQ-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000925168964 620213113 /nfs/dbraw/zinc/21/31/13/620213113.db2.gz IZCWTKKBYYIGKV-KBPBESRZSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[NH+]1CCCCC1 ZINC000800968591 620361688 /nfs/dbraw/zinc/36/16/88/620361688.db2.gz TXJSLUOGGYWWKC-PMPSAXMXSA-N 2 2 270.436 3.369 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902472508 621324156 /nfs/dbraw/zinc/32/41/56/621324156.db2.gz BVXZAOGRHGCQDX-BSWAZPDLSA-N 2 2 274.408 3.019 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2ccccc2s1 ZINC000902468311 621339457 /nfs/dbraw/zinc/33/94/57/621339457.db2.gz UUQUZAISUUYSPY-RUZUBIRVSA-N 2 2 272.417 3.445 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000902790820 621448161 /nfs/dbraw/zinc/44/81/61/621448161.db2.gz SAZSFFWPGQDCJE-HZPDHXFCSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903024958 621542412 /nfs/dbraw/zinc/54/24/12/621542412.db2.gz QIHOCSGZSGEICS-ZMSDIMECSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422269 621751560 /nfs/dbraw/zinc/75/15/60/621751560.db2.gz VZJWQPOPHGVZCL-DTZQCDIJSA-N 2 2 294.389 3.237 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422269 621751564 /nfs/dbraw/zinc/75/15/64/621751564.db2.gz VZJWQPOPHGVZCL-DTZQCDIJSA-N 2 2 294.389 3.237 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000903801080 621811506 /nfs/dbraw/zinc/81/15/06/621811506.db2.gz KNCKWJGLKUFNKZ-WMLDXEAASA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1cc2ccccc2o1 ZINC000903801080 621811507 /nfs/dbraw/zinc/81/15/07/621811507.db2.gz KNCKWJGLKUFNKZ-WMLDXEAASA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000903878308 621825461 /nfs/dbraw/zinc/82/54/61/621825461.db2.gz FYKQNOJLEHDJLW-MRXNPFEDSA-N 2 2 296.405 3.314 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000903881406 621826057 /nfs/dbraw/zinc/82/60/57/621826057.db2.gz ZYMAQUVNLTUHHH-GFCCVEGCSA-N 2 2 288.769 3.287 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000903881406 621826059 /nfs/dbraw/zinc/82/60/59/621826059.db2.gz ZYMAQUVNLTUHHH-GFCCVEGCSA-N 2 2 288.769 3.287 20 0 CGADLP FC(F)C[N@@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896679 621828207 /nfs/dbraw/zinc/82/82/07/621828207.db2.gz CLZYNRPXHMQPLE-MQVJKMGUSA-N 2 2 294.389 3.284 20 0 CGADLP FC(F)C[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903896679 621828209 /nfs/dbraw/zinc/82/82/09/621828209.db2.gz CLZYNRPXHMQPLE-MQVJKMGUSA-N 2 2 294.389 3.284 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000903906872 621831674 /nfs/dbraw/zinc/83/16/74/621831674.db2.gz ZPMARSLYWYXZNL-KGLIPLIRSA-N 2 2 268.351 3.196 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000903906872 621831676 /nfs/dbraw/zinc/83/16/76/621831676.db2.gz ZPMARSLYWYXZNL-KGLIPLIRSA-N 2 2 268.351 3.196 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910526 621832089 /nfs/dbraw/zinc/83/20/89/621832089.db2.gz NBXDWPRTZYLDJQ-NVXWUHKLSA-N 2 2 296.405 3.314 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910526 621832091 /nfs/dbraw/zinc/83/20/91/621832091.db2.gz NBXDWPRTZYLDJQ-NVXWUHKLSA-N 2 2 296.405 3.314 20 0 CGADLP c1cc(CNc2ccc3c(c2)CCC[NH2+]3)c2c(c1)C[NH2+]CC2 ZINC000903917016 621836300 /nfs/dbraw/zinc/83/63/00/621836300.db2.gz JLNBSZIAKHPMDS-UHFFFAOYSA-N 2 2 293.414 3.303 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000904337175 621904115 /nfs/dbraw/zinc/90/41/15/621904115.db2.gz PUJDDDNWBMVRJV-GJZGRUSLSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000904337175 621904122 /nfs/dbraw/zinc/90/41/22/621904122.db2.gz PUJDDDNWBMVRJV-GJZGRUSLSA-N 2 2 275.440 3.025 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C(C)(C)C ZINC000904469440 621924859 /nfs/dbraw/zinc/92/48/59/621924859.db2.gz MHBQOUSGIBZHEB-GOEBONIOSA-N 2 2 277.456 3.440 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000156567872 622826303 /nfs/dbraw/zinc/82/63/03/622826303.db2.gz DHRHYPQOZKKRKF-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000156567872 622826305 /nfs/dbraw/zinc/82/63/05/622826305.db2.gz DHRHYPQOZKKRKF-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000227402582 623018377 /nfs/dbraw/zinc/01/83/77/623018377.db2.gz GLSUJDWVJWCORF-FPMFFAJLSA-N 2 2 281.469 3.413 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000229805402 623164098 /nfs/dbraw/zinc/16/40/98/623164098.db2.gz FTXOQCUZKCFYIK-HNNXBMFYSA-N 2 2 293.361 3.366 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000151685902 623557234 /nfs/dbraw/zinc/55/72/34/623557234.db2.gz CYYYKGJIVSMCII-KBPBESRZSA-N 2 2 272.502 3.371 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000184833211 625275566 /nfs/dbraw/zinc/27/55/66/625275566.db2.gz MEGVKZNGQJHGRH-LLVKDONJSA-N 2 2 284.831 3.284 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822907 625892646 /nfs/dbraw/zinc/89/26/46/625892646.db2.gz ZMRNTYUZZQVJKQ-ZIAGYGMSSA-N 2 2 279.453 3.147 20 0 CGADLP COC1(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000759996587 626934972 /nfs/dbraw/zinc/93/49/72/626934972.db2.gz WWNFOFGLIUNFSZ-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000765256561 627243759 /nfs/dbraw/zinc/24/37/59/627243759.db2.gz FEPKUPSSIFXQRB-OAHLLOKOSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766480885 627336462 /nfs/dbraw/zinc/33/64/62/627336462.db2.gz VJZVLGHZXWXKMD-MXWWQKGMSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000768200549 627468232 /nfs/dbraw/zinc/46/82/32/627468232.db2.gz OKKOZWDELPETFG-GOEBONIOSA-N 2 2 286.423 3.352 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000780527755 628495972 /nfs/dbraw/zinc/49/59/72/628495972.db2.gz CUXFWUYDVIIDIP-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCC[C@H]2C)CCCCC1 ZINC000780527755 628495975 /nfs/dbraw/zinc/49/59/75/628495975.db2.gz CUXFWUYDVIIDIP-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783242404 628693137 /nfs/dbraw/zinc/69/31/37/628693137.db2.gz DAMVIIVUCQRPOH-DVOMOZLQSA-N 2 2 255.365 3.321 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(F)c1 ZINC000783242705 628693274 /nfs/dbraw/zinc/69/32/74/628693274.db2.gz GXIFTUZQIHZPSD-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(F)c1 ZINC000783242705 628693285 /nfs/dbraw/zinc/69/32/85/628693285.db2.gz GXIFTUZQIHZPSD-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000790049138 629179920 /nfs/dbraw/zinc/17/99/20/629179920.db2.gz MNCTVEPVZRVJCT-KRWDZBQOSA-N 2 2 272.436 3.038 20 0 CGADLP c1ccc(NCCC[NH2+]C[C@@H]2CCc3ccccc32)[nH+]c1 ZINC000790056158 629180917 /nfs/dbraw/zinc/18/09/17/629180917.db2.gz UJUZELRXVUYSBN-INIZCTEOSA-N 2 2 281.403 3.203 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC000862274954 629335178 /nfs/dbraw/zinc/33/51/78/629335178.db2.gz YBHJFCFWUXAEGM-GFCCVEGCSA-N 2 2 291.345 3.396 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000102419862 634751893 /nfs/dbraw/zinc/75/18/93/634751893.db2.gz CHTBITAGLGYVHO-VMEIHUARSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000102419862 634751898 /nfs/dbraw/zinc/75/18/98/634751898.db2.gz CHTBITAGLGYVHO-VMEIHUARSA-N 2 2 258.409 3.164 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cnc12 ZINC000865416095 630110787 /nfs/dbraw/zinc/11/07/87/630110787.db2.gz TVVSLIRYVRKYSJ-DLBZAZTESA-N 2 2 299.393 3.090 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cnc12 ZINC000865416095 630110793 /nfs/dbraw/zinc/11/07/93/630110793.db2.gz TVVSLIRYVRKYSJ-DLBZAZTESA-N 2 2 299.393 3.090 20 0 CGADLP C[C@H](C[NH2+]Cc1c(Cl)cncc1Cl)Cn1cc[nH+]c1 ZINC000865433456 630121894 /nfs/dbraw/zinc/12/18/94/630121894.db2.gz CFGZPNMYSPSDGK-SNVBAGLBSA-N 2 2 299.205 3.011 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+]1CCCCC1 ZINC000800968013 630314362 /nfs/dbraw/zinc/31/43/62/630314362.db2.gz DAJKXLZYWKXLGO-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575560 630753851 /nfs/dbraw/zinc/75/38/51/630753851.db2.gz HNADVKQTGSBRSQ-NFAWXSAZSA-N 2 2 293.480 3.358 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575560 630753856 /nfs/dbraw/zinc/75/38/56/630753856.db2.gz HNADVKQTGSBRSQ-NFAWXSAZSA-N 2 2 293.480 3.358 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767524 630802166 /nfs/dbraw/zinc/80/21/66/630802166.db2.gz NIHHOPBWSYAEES-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767524 630802167 /nfs/dbraw/zinc/80/21/67/630802167.db2.gz NIHHOPBWSYAEES-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767524 630802169 /nfs/dbraw/zinc/80/21/69/630802169.db2.gz NIHHOPBWSYAEES-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767524 630802170 /nfs/dbraw/zinc/80/21/70/630802170.db2.gz NIHHOPBWSYAEES-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811472258 631070304 /nfs/dbraw/zinc/07/03/04/631070304.db2.gz CEAPOHRZXLSGAO-UHFFFAOYSA-N 2 2 290.238 3.066 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000866230068 633036283 /nfs/dbraw/zinc/03/62/83/633036283.db2.gz WKEARLDXIWAPHK-MRXNPFEDSA-N 2 2 297.446 3.291 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000823602934 633125329 /nfs/dbraw/zinc/12/53/29/633125329.db2.gz VLPZHEIDBPWKJQ-UHFFFAOYSA-N 2 2 299.821 3.086 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000824098736 633194780 /nfs/dbraw/zinc/19/47/80/633194780.db2.gz MYMWOOBCSPUJNE-STQMWFEESA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000824098736 633194782 /nfs/dbraw/zinc/19/47/82/633194782.db2.gz MYMWOOBCSPUJNE-STQMWFEESA-N 2 2 282.378 3.142 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)nc1Cl ZINC000866665968 633229516 /nfs/dbraw/zinc/22/95/16/633229516.db2.gz JNUMAOWJCCPNAR-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866724938 633236606 /nfs/dbraw/zinc/23/66/06/633236606.db2.gz OKCZMUUYRGUTOO-HZPDHXFCSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866724938 633236611 /nfs/dbraw/zinc/23/66/11/633236611.db2.gz OKCZMUUYRGUTOO-HZPDHXFCSA-N 2 2 278.827 3.099 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)[C@H]1CCCOC1 ZINC000872052835 633975992 /nfs/dbraw/zinc/97/59/92/633975992.db2.gz QHWBSRLQMHFANJ-ULQDDVLXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)[C@H]1CCCOC1 ZINC000872052835 633976003 /nfs/dbraw/zinc/97/60/03/633976003.db2.gz QHWBSRLQMHFANJ-ULQDDVLXSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000872064545 633986394 /nfs/dbraw/zinc/98/63/94/633986394.db2.gz ZSXRYJMQVWRHRH-BFHYXJOUSA-N 2 2 261.413 3.002 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)[C@@H]1CCC[NH2+]1 ZINC000873280490 634316419 /nfs/dbraw/zinc/31/64/19/634316419.db2.gz BCDQDADCVOULNP-MNOVXSKESA-N 2 2 292.370 3.387 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000877656285 635134440 /nfs/dbraw/zinc/13/44/40/635134440.db2.gz DBMGNZSILLQPJU-AWEZNQCLSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000877656285 635134443 /nfs/dbraw/zinc/13/44/43/635134443.db2.gz DBMGNZSILLQPJU-AWEZNQCLSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c2ccccc2n1 ZINC000880129721 635919010 /nfs/dbraw/zinc/91/90/10/635919010.db2.gz AAXIHYQPEWXMEC-RTBURBONSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c2ccccc2n1 ZINC000880129721 635919015 /nfs/dbraw/zinc/91/90/15/635919015.db2.gz AAXIHYQPEWXMEC-RTBURBONSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129721 635919019 /nfs/dbraw/zinc/91/90/19/635919019.db2.gz AAXIHYQPEWXMEC-RTBURBONSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129721 635919026 /nfs/dbraw/zinc/91/90/26/635919026.db2.gz AAXIHYQPEWXMEC-RTBURBONSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474265 636008068 /nfs/dbraw/zinc/00/80/68/636008068.db2.gz WTOSYHFLMZSDET-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CCCCOCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568490 636022927 /nfs/dbraw/zinc/02/29/27/636022927.db2.gz AJGOTSXMGIXMNH-KRWDZBQOSA-N 2 2 287.407 3.031 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883187055 636571853 /nfs/dbraw/zinc/57/18/53/636571853.db2.gz FEFUTMHBBVGLNS-OAHLLOKOSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCCC3(CC3)C2)[nH+]c1 ZINC000883196919 636578560 /nfs/dbraw/zinc/57/85/60/636578560.db2.gz YPLHEPJVDCPTGY-AWEZNQCLSA-N 2 2 259.397 3.196 20 0 CGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387494 636729122 /nfs/dbraw/zinc/72/91/22/636729122.db2.gz YUBJFKPENOZOOI-JFIYKMOQSA-N 2 2 299.418 3.029 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883388411 636729887 /nfs/dbraw/zinc/72/98/87/636729887.db2.gz UWTIHYQCCDHFKB-RCCFBDPRSA-N 2 2 299.418 3.172 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000886093911 637406137 /nfs/dbraw/zinc/40/61/37/637406137.db2.gz JZFPVGWHXZNGMP-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000886093911 637406143 /nfs/dbraw/zinc/40/61/43/637406143.db2.gz JZFPVGWHXZNGMP-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540988 637565104 /nfs/dbraw/zinc/56/51/04/637565104.db2.gz OEOASTDYAFENPD-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540988 637565113 /nfs/dbraw/zinc/56/51/13/637565113.db2.gz OEOASTDYAFENPD-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540990 637565662 /nfs/dbraw/zinc/56/56/62/637565662.db2.gz OEOASTDYAFENPD-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000886540990 637565664 /nfs/dbraw/zinc/56/56/64/637565664.db2.gz OEOASTDYAFENPD-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886542848 637567682 /nfs/dbraw/zinc/56/76/82/637567682.db2.gz GVSFNVQWGJRMSI-WMLDXEAASA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886542848 637567688 /nfs/dbraw/zinc/56/76/88/637567688.db2.gz GVSFNVQWGJRMSI-WMLDXEAASA-N 2 2 269.392 3.275 20 0 CGADLP Cc1cc(OCCc2c[nH+]cn2C)c2c(C)cccc2[nH+]1 ZINC000853691844 637893330 /nfs/dbraw/zinc/89/33/30/637893330.db2.gz HICNOVIEXBOLDS-UHFFFAOYSA-N 2 2 281.359 3.207 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(Cl)CC1 ZINC000924807592 638408296 /nfs/dbraw/zinc/40/82/96/638408296.db2.gz MZXPSXCNKJNRMS-GFCCVEGCSA-N 2 2 275.783 3.122 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)CO)c1ccccc1 ZINC000925060119 638445351 /nfs/dbraw/zinc/44/53/51/638445351.db2.gz MCTJIGDUHHANJQ-GJZGRUSLSA-N 2 2 292.467 3.112 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccnn1C1CCC1 ZINC000925172523 638468234 /nfs/dbraw/zinc/46/82/34/638468234.db2.gz SXJSYTXKFYXRMP-UONOGXRCSA-N 2 2 299.422 3.033 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000925517418 638516883 /nfs/dbraw/zinc/51/68/83/638516883.db2.gz GTMADTXQBIGVHN-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925673605 638564754 /nfs/dbraw/zinc/56/47/54/638564754.db2.gz CWTVJFWJCNUCNW-HZPDHXFCSA-N 2 2 278.465 3.287 20 0 CGADLP c1csc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925673605 638564757 /nfs/dbraw/zinc/56/47/57/638564757.db2.gz CWTVJFWJCNUCNW-HZPDHXFCSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858385130 638700028 /nfs/dbraw/zinc/70/00/28/638700028.db2.gz JWZBAJQMWMTMFA-AWEZNQCLSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858385130 638700031 /nfs/dbraw/zinc/70/00/31/638700031.db2.gz JWZBAJQMWMTMFA-AWEZNQCLSA-N 2 2 275.440 3.346 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccnc1Cl ZINC000858490232 638741436 /nfs/dbraw/zinc/74/14/36/638741436.db2.gz DCLPPOUKEJIXKE-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1Cl ZINC000858490232 638741439 /nfs/dbraw/zinc/74/14/39/638741439.db2.gz DCLPPOUKEJIXKE-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926523606 638781021 /nfs/dbraw/zinc/78/10/21/638781021.db2.gz GEJPUMMKGDZLDB-RDBSUJKOSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926523606 638781023 /nfs/dbraw/zinc/78/10/23/638781023.db2.gz GEJPUMMKGDZLDB-RDBSUJKOSA-N 2 2 272.383 3.028 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779657 638950488 /nfs/dbraw/zinc/95/04/88/638950488.db2.gz GYIXLVOWKCZNHH-WBVHZDCISA-N 2 2 275.440 3.003 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779657 638950491 /nfs/dbraw/zinc/95/04/91/638950491.db2.gz GYIXLVOWKCZNHH-WBVHZDCISA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779657 638950493 /nfs/dbraw/zinc/95/04/93/638950493.db2.gz GYIXLVOWKCZNHH-WBVHZDCISA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779657 638950495 /nfs/dbraw/zinc/95/04/95/638950495.db2.gz GYIXLVOWKCZNHH-WBVHZDCISA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cccc(C)c1OCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931347542 639138414 /nfs/dbraw/zinc/13/84/14/639138414.db2.gz AGINHBAFLJEETI-UHFFFAOYSA-N 2 2 290.451 3.098 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCSc2ccccc2F)CC1 ZINC000931349849 639138660 /nfs/dbraw/zinc/13/86/60/639138660.db2.gz NOAVKGYCZURBDM-UHFFFAOYSA-N 2 2 296.455 3.334 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000931352790 639139696 /nfs/dbraw/zinc/13/96/96/639139696.db2.gz GPJRIHCKJSLGDC-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CSc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719809 639196568 /nfs/dbraw/zinc/19/65/68/639196568.db2.gz FLDZYZWQGXJLPU-CABCVRRESA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719809 639196574 /nfs/dbraw/zinc/19/65/74/639196574.db2.gz FLDZYZWQGXJLPU-CABCVRRESA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719809 639196578 /nfs/dbraw/zinc/19/65/78/639196578.db2.gz FLDZYZWQGXJLPU-CABCVRRESA-N 2 2 276.449 3.077 20 0 CGADLP CSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719809 639196582 /nfs/dbraw/zinc/19/65/82/639196582.db2.gz FLDZYZWQGXJLPU-CABCVRRESA-N 2 2 276.449 3.077 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415133377 640858774 /nfs/dbraw/zinc/85/87/74/640858774.db2.gz FBVYJMBRVPIDAI-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415133377 640858778 /nfs/dbraw/zinc/85/87/78/640858778.db2.gz FBVYJMBRVPIDAI-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP CC[NH+]1CCC(c2[nH]c3ccc(C)c(C)c3[nH+]2)CC1 ZINC001250570649 805701763 /nfs/dbraw/zinc/70/17/63/805701763.db2.gz KKWJHNHMJDPMLS-UHFFFAOYSA-N 2 2 257.381 3.379 20 0 CGADLP CSc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001156925208 805752568 /nfs/dbraw/zinc/75/25/68/805752568.db2.gz FTVGBLKPGPXJPM-CYBMUJFWSA-N 2 2 279.453 3.480 20 0 CGADLP CSc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001156925208 805752571 /nfs/dbraw/zinc/75/25/71/805752571.db2.gz FTVGBLKPGPXJPM-CYBMUJFWSA-N 2 2 279.453 3.480 20 0 CGADLP Cc1cc(N2CCCC[C@@]23CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001157473012 805819584 /nfs/dbraw/zinc/81/95/84/805819584.db2.gz PAWFSCMZSLCGEW-KRWDZBQOSA-N 2 2 288.439 3.021 20 0 CGADLP Cc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001157742131 805861026 /nfs/dbraw/zinc/86/10/26/805861026.db2.gz CVOLEUOFAFYZGG-WFASDCNBSA-N 2 2 288.439 3.149 20 0 CGADLP Cc1c[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)cc1C ZINC001157753166 805861512 /nfs/dbraw/zinc/86/15/12/805861512.db2.gz WBGROMBIRHUHRS-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP COc1ccc2[nH+]c(NCC[C@H]3CCC[NH2+]3)c(C)cc2c1 ZINC001158628888 805979293 /nfs/dbraw/zinc/97/92/93/805979293.db2.gz PJQJWYLQLLVEJM-CQSZACIVSA-N 2 2 285.391 3.106 20 0 CGADLP CN(c1[nH+]c(N2CCCC2)cc2ccccc21)C(C)(C)C[NH3+] ZINC001159059449 806036173 /nfs/dbraw/zinc/03/61/73/806036173.db2.gz GSOCHEUDYDQEFZ-UHFFFAOYSA-N 2 2 298.434 3.009 20 0 CGADLP CCc1ccccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261417 806068861 /nfs/dbraw/zinc/06/88/61/806068861.db2.gz HGPUGQBFKZAAHU-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP Cc1cc[nH+]c(C(C)C)c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159419815 806098777 /nfs/dbraw/zinc/09/87/77/806098777.db2.gz BDQKTZREIXOMIR-OLZOCXBDSA-N 2 2 257.381 3.334 20 0 CGADLP Cc1cc(-n2c(CC[NH3+])cc3ccccc32)nc(C(C)C)[nH+]1 ZINC001160132087 806226367 /nfs/dbraw/zinc/22/63/67/806226367.db2.gz YIDVCNYVRGMJCL-UHFFFAOYSA-N 2 2 294.402 3.354 20 0 CGADLP Cc1c(F)cc[nH+]c1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160665463 806294017 /nfs/dbraw/zinc/29/40/17/806294017.db2.gz LGGXPWNTGKSKRF-ZDUSSCGKSA-N 2 2 287.382 3.131 20 0 CGADLP [NH3+]CCc1cccc(Nc2cc(C3CC3)cc[nH+]2)c1 ZINC001161079327 806347605 /nfs/dbraw/zinc/34/76/05/806347605.db2.gz UOHLVSAGYNDRRR-UHFFFAOYSA-N 2 2 253.349 3.204 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001254502515 806423628 /nfs/dbraw/zinc/42/36/28/806423628.db2.gz FDCHLSVYYNJKKC-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001254502515 806423631 /nfs/dbraw/zinc/42/36/31/806423631.db2.gz FDCHLSVYYNJKKC-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP Clc1cccc(CCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840264 806494316 /nfs/dbraw/zinc/49/43/16/806494316.db2.gz FDHWUNBDMYTWFH-QGZVFWFLSA-N 2 2 292.854 3.347 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c(Cl)c1 ZINC001254841797 806496059 /nfs/dbraw/zinc/49/60/59/806496059.db2.gz BGRABVZIBWHIPQ-OAHLLOKOSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853267 806498805 /nfs/dbraw/zinc/49/88/05/806498805.db2.gz MZBVASARIFSHRQ-RHSMWYFYSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853267 806498811 /nfs/dbraw/zinc/49/88/11/806498811.db2.gz MZBVASARIFSHRQ-RHSMWYFYSA-N 2 2 270.420 3.090 20 0 CGADLP CNc1ccc(N(CC[NH3+])c2cccc3ccccc32)c[nH+]1 ZINC001162005294 806498866 /nfs/dbraw/zinc/49/88/66/806498866.db2.gz DHKTYGFTFQGHOI-UHFFFAOYSA-N 2 2 292.386 3.373 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc(Cl)c1 ZINC001254849883 806498947 /nfs/dbraw/zinc/49/89/47/806498947.db2.gz ZDWZJXOCSMMBFM-WBMJQRKESA-N 2 2 278.827 3.475 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862571 806502015 /nfs/dbraw/zinc/50/20/15/806502015.db2.gz NCQMJEZDOAOKRI-CABCVRRESA-N 2 2 276.449 3.369 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862571 806502025 /nfs/dbraw/zinc/50/20/25/806502025.db2.gz NCQMJEZDOAOKRI-CABCVRRESA-N 2 2 276.449 3.369 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1 ZINC001162402799 806577594 /nfs/dbraw/zinc/57/75/94/806577594.db2.gz WUZXZMCWGHBCAQ-RKDXNWHRSA-N 2 2 298.312 3.264 20 0 CGADLP FC(F)(F)C1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001255513462 806658316 /nfs/dbraw/zinc/65/83/16/806658316.db2.gz JHUIKWXZKCOZRE-UHFFFAOYSA-N 2 2 288.313 3.171 20 0 CGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156168 798859951 /nfs/dbraw/zinc/85/99/51/798859951.db2.gz JCSAOKBSGMCPAO-MRXNPFEDSA-N 2 2 287.407 3.096 20 0 CGADLP Cc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156193 798860254 /nfs/dbraw/zinc/86/02/54/798860254.db2.gz PLXZCVVMYCLQRP-MRXNPFEDSA-N 2 2 271.408 3.396 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1F ZINC000037156172 798860351 /nfs/dbraw/zinc/86/03/51/798860351.db2.gz TULREZZPCDQTGK-OAHLLOKOSA-N 2 2 293.361 3.366 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028873 798885434 /nfs/dbraw/zinc/88/54/34/798885434.db2.gz CBDBWESQGQMNIW-CABCVRRESA-N 2 2 264.413 3.065 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(F)ccc1F ZINC000159280134 799073473 /nfs/dbraw/zinc/07/34/73/799073473.db2.gz BHHJFLKYDUPECC-INIZCTEOSA-N 2 2 282.378 3.490 20 0 CGADLP Clc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000378996546 799346019 /nfs/dbraw/zinc/34/60/19/799346019.db2.gz NZILBXWNZQGOCS-NSHDSACASA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000378996546 799346026 /nfs/dbraw/zinc/34/60/26/799346026.db2.gz NZILBXWNZQGOCS-NSHDSACASA-N 2 2 284.856 3.366 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382292251 799394846 /nfs/dbraw/zinc/39/48/46/799394846.db2.gz QBSYWBJNGRASPK-GPANFISMSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccccc1F ZINC001255836183 806762040 /nfs/dbraw/zinc/76/20/40/806762040.db2.gz MTRDCJMHXRJLMS-JKSUJKDBSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000700542699 799872623 /nfs/dbraw/zinc/87/26/23/799872623.db2.gz YECYOUYTVIFKCE-DZGCQCFKSA-N 2 2 253.349 3.242 20 0 CGADLP F[C@H]1C[N@@H+](C2CCCCCC2)CC[C@H]1[NH+]1CCCC1 ZINC001255894474 806787049 /nfs/dbraw/zinc/78/70/49/806787049.db2.gz VCTOHTOTHQKFMX-JKSUJKDBSA-N 2 2 268.420 3.217 20 0 CGADLP F[C@H]1C[N@H+](C2CCCCCC2)CC[C@H]1[NH+]1CCCC1 ZINC001255894474 806787053 /nfs/dbraw/zinc/78/70/53/806787053.db2.gz VCTOHTOTHQKFMX-JKSUJKDBSA-N 2 2 268.420 3.217 20 0 CGADLP c1ccc2cc(C[NH+]3CC4(C3)CCC[NH2+]C4)ccc2c1 ZINC000709992465 800026278 /nfs/dbraw/zinc/02/62/78/800026278.db2.gz NQYBZAYUMDYULU-UHFFFAOYSA-N 2 2 266.388 3.025 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CCCS3)cc2)c[nH+]1 ZINC000715610094 800141308 /nfs/dbraw/zinc/14/13/08/800141308.db2.gz HEIBRSBKRYGYIB-INIZCTEOSA-N 2 2 287.432 3.248 20 0 CGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC001256072148 806810680 /nfs/dbraw/zinc/81/06/80/806810680.db2.gz ZBBJEALUVVRNDB-GOSISDBHSA-N 2 2 285.435 3.058 20 0 CGADLP CCCCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640615 800299265 /nfs/dbraw/zinc/29/92/65/800299265.db2.gz LFSOUINGIDEMSR-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640615 800299268 /nfs/dbraw/zinc/29/92/68/800299268.db2.gz LFSOUINGIDEMSR-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391384 800319915 /nfs/dbraw/zinc/31/99/15/800319915.db2.gz ASDHGBSXEFNUBV-TZMCWYRMSA-N 2 2 281.469 3.263 20 0 CGADLP C[C@H](C[NH+](C)C)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001163777515 806823911 /nfs/dbraw/zinc/82/39/11/806823911.db2.gz XDCFZRUQNPVOPC-CQSZACIVSA-N 2 2 294.402 3.388 20 0 CGADLP Cc1ccc2cc(N(CCC[NH3+])C(C)C)[nH+]cc2c1 ZINC001164122302 806896820 /nfs/dbraw/zinc/89/68/20/806896820.db2.gz DDVQYSZGDHPYAQ-UHFFFAOYSA-N 2 2 257.381 3.107 20 0 CGADLP COc1cc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205074713 812849069 /nfs/dbraw/zinc/84/90/69/812849069.db2.gz AGFBAPDYRIAWJX-HOCLYGCPSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205074713 812849075 /nfs/dbraw/zinc/84/90/75/812849075.db2.gz AGFBAPDYRIAWJX-HOCLYGCPSA-N 2 2 290.451 3.439 20 0 CGADLP c1c[nH+]c(-c2ccc(-c3ccc4c(c3)C[NH2+]CC4)cc2)[nH]1 ZINC001243977776 803116605 /nfs/dbraw/zinc/11/66/05/803116605.db2.gz WWAUNYSLKSTOAA-UHFFFAOYSA-N 2 2 275.355 3.389 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245198138 803661683 /nfs/dbraw/zinc/66/16/83/803661683.db2.gz QUJHSVHFDCKWCC-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)[nH]1 ZINC001137329920 803716447 /nfs/dbraw/zinc/71/64/47/803716447.db2.gz VKMSFAOSWJVWIV-UHFFFAOYSA-N 2 2 293.430 3.030 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC001138550528 803966330 /nfs/dbraw/zinc/96/63/30/803966330.db2.gz VWGLXJYTOQFEOT-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC001138550528 803966338 /nfs/dbraw/zinc/96/63/38/803966338.db2.gz VWGLXJYTOQFEOT-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246087518 804120584 /nfs/dbraw/zinc/12/05/84/804120584.db2.gz OUEFLQFIWTUVGB-IXDOHACOSA-N 2 2 278.415 3.078 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246090363 804122560 /nfs/dbraw/zinc/12/25/60/804122560.db2.gz FJUYJZCMKNCMSF-QAETUUGQSA-N 2 2 276.399 3.002 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246092202 804124324 /nfs/dbraw/zinc/12/43/24/804124324.db2.gz GIAZJMQUPCFKKL-HZPDHXFCSA-N 2 2 270.461 3.094 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114087 804144871 /nfs/dbraw/zinc/14/48/71/804144871.db2.gz UKKSHQZYFFIPDP-ILXRZTDVSA-N 2 2 258.425 3.415 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246136679 804161027 /nfs/dbraw/zinc/16/10/27/804161027.db2.gz VQDKFFXLXOUCBP-MGNMYUMUSA-N 2 2 282.472 3.235 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246155569 804172495 /nfs/dbraw/zinc/17/24/95/804172495.db2.gz ZYNBMYGYEYQONS-YVSFHVDLSA-N 2 2 282.472 3.235 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246159569 804175536 /nfs/dbraw/zinc/17/55/36/804175536.db2.gz AJAASHLAYXTRSH-KOLCDFICSA-N 2 2 290.304 3.075 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CC1(C)C ZINC001139361833 804182681 /nfs/dbraw/zinc/18/26/81/804182681.db2.gz AMENMKLFXUSHMV-HNNXBMFYSA-N 2 2 269.392 3.350 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CC1(C)C ZINC001139361833 804182688 /nfs/dbraw/zinc/18/26/88/804182688.db2.gz AMENMKLFXUSHMV-HNNXBMFYSA-N 2 2 269.392 3.350 20 0 CGADLP CCCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358783 804182801 /nfs/dbraw/zinc/18/28/01/804182801.db2.gz ZPPUCNHYVLRWQM-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139358783 804182804 /nfs/dbraw/zinc/18/28/04/804182804.db2.gz ZPPUCNHYVLRWQM-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246226698 804220898 /nfs/dbraw/zinc/22/08/98/804220898.db2.gz TVDGLUSTPDFGTG-KGLIPLIRSA-N 2 2 282.378 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1C(F)(F)F ZINC001246237026 804230701 /nfs/dbraw/zinc/23/07/01/804230701.db2.gz WMLUUWNFZNQRIE-WCQYABFASA-N 2 2 286.341 3.244 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc12 ZINC001246257370 804241508 /nfs/dbraw/zinc/24/15/08/804241508.db2.gz SBQWSPURDUYLIU-ZBFHGGJFSA-N 2 2 268.404 3.378 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246276548 804252942 /nfs/dbraw/zinc/25/29/42/804252942.db2.gz BYDJSTUVLPOISL-YCPHGPKFSA-N 2 2 292.398 3.160 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC001246279703 804254530 /nfs/dbraw/zinc/25/45/30/804254530.db2.gz PMHDVAKMMXQHLJ-MOPGFXCFSA-N 2 2 280.415 3.142 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC001246280008 804255912 /nfs/dbraw/zinc/25/59/12/804255912.db2.gz PMHDVAKMMXQHLJ-RBUKOAKNSA-N 2 2 280.415 3.142 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246294389 804264264 /nfs/dbraw/zinc/26/42/64/804264264.db2.gz WNTJHWJJIDXXIH-HZPDHXFCSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC001246318940 804279429 /nfs/dbraw/zinc/27/94/29/804279429.db2.gz VSYANDQDOXCMIH-DYEKYZERSA-N 2 2 266.816 3.440 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246334899 804289645 /nfs/dbraw/zinc/28/96/45/804289645.db2.gz FUOJVFOVTIFHFW-LSDHHAIUSA-N 2 2 272.502 3.420 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2F)CC[NH2+]1 ZINC001246355859 804301504 /nfs/dbraw/zinc/30/15/04/804301504.db2.gz FHRMGRZSMODPST-HUUCEWRRSA-N 2 2 294.414 3.235 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246355279 804302490 /nfs/dbraw/zinc/30/24/90/804302490.db2.gz AXFPCDLJCLDJQO-KBPBESRZSA-N 2 2 286.341 3.498 20 0 CGADLP Fc1cccc([C@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246410235 804323443 /nfs/dbraw/zinc/32/34/43/804323443.db2.gz ZIHOHRQKIJTTKE-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407033 804323743 /nfs/dbraw/zinc/32/37/43/804323743.db2.gz SKORCHSCFHBRAV-UOVPBQLFSA-N 3 2 293.499 3.032 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407033 804323753 /nfs/dbraw/zinc/32/37/53/804323753.db2.gz SKORCHSCFHBRAV-UOVPBQLFSA-N 3 2 293.499 3.032 20 0 CGADLP [NH3+][C@@H]1C[C@H](F)C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575465 804422019 /nfs/dbraw/zinc/42/20/19/804422019.db2.gz CWRJBVDRFNGICN-ZNMIVQPWSA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1C[C@H](F)C[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575465 804422022 /nfs/dbraw/zinc/42/20/22/804422022.db2.gz CWRJBVDRFNGICN-ZNMIVQPWSA-N 2 2 268.420 3.251 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246611388 804444852 /nfs/dbraw/zinc/44/48/52/804444852.db2.gz PKSUSSNLAQJGSP-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246611388 804444855 /nfs/dbraw/zinc/44/48/55/804444855.db2.gz PKSUSSNLAQJGSP-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(Cl)c1 ZINC001140542160 804456699 /nfs/dbraw/zinc/45/66/99/804456699.db2.gz FFEJUORNLOGFMF-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246657643 804482163 /nfs/dbraw/zinc/48/21/63/804482163.db2.gz XDAMRJDKQCMOFP-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(C)C)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246657643 804482165 /nfs/dbraw/zinc/48/21/65/804482165.db2.gz XDAMRJDKQCMOFP-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802582 804520826 /nfs/dbraw/zinc/52/08/26/804520826.db2.gz ZTXXLQMDHWNWFT-NSHDSACASA-N 2 2 279.334 3.430 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802582 804520829 /nfs/dbraw/zinc/52/08/29/804520829.db2.gz ZTXXLQMDHWNWFT-NSHDSACASA-N 2 2 279.334 3.430 20 0 CGADLP C[N@H+](CCC(=O)c1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804792 804522686 /nfs/dbraw/zinc/52/26/86/804522686.db2.gz FJHVJKRODVFKEW-UHFFFAOYSA-N 2 2 299.399 3.329 20 0 CGADLP C[N@@H+](CCC(=O)c1cccs1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140804792 804522689 /nfs/dbraw/zinc/52/26/89/804522689.db2.gz FJHVJKRODVFKEW-UHFFFAOYSA-N 2 2 299.399 3.329 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246822602 804536469 /nfs/dbraw/zinc/53/64/69/804536469.db2.gz MBFQVEZTEATNOZ-ZVZYQTTQSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246822602 804536473 /nfs/dbraw/zinc/53/64/73/804536473.db2.gz MBFQVEZTEATNOZ-ZVZYQTTQSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H]1C ZINC001246826055 804538231 /nfs/dbraw/zinc/53/82/31/804538231.db2.gz AXWZFYUUYRDDHT-FHUSYTEZSA-N 2 2 278.362 3.023 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H]1C ZINC001246826055 804538233 /nfs/dbraw/zinc/53/82/33/804538233.db2.gz AXWZFYUUYRDDHT-FHUSYTEZSA-N 2 2 278.362 3.023 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844699 804553398 /nfs/dbraw/zinc/55/33/98/804553398.db2.gz BQNTWSXXAYLGPB-WMLDXEAASA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844699 804553405 /nfs/dbraw/zinc/55/34/05/804553405.db2.gz BQNTWSXXAYLGPB-WMLDXEAASA-N 2 2 292.854 3.475 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882513 804577623 /nfs/dbraw/zinc/57/76/23/804577623.db2.gz RMFNWYGRIXZBRB-GYSYKLTISA-N 2 2 284.856 3.100 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882513 804577627 /nfs/dbraw/zinc/57/76/27/804577627.db2.gz RMFNWYGRIXZBRB-GYSYKLTISA-N 2 2 284.856 3.100 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cc2[nH+]1 ZINC001141046087 804578610 /nfs/dbraw/zinc/57/86/10/804578610.db2.gz LMZRCNAWOMFIQQ-LSDHHAIUSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2[nH+]1 ZINC001141046087 804578615 /nfs/dbraw/zinc/57/86/15/804578615.db2.gz LMZRCNAWOMFIQQ-LSDHHAIUSA-N 2 2 255.365 3.099 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901316 804588467 /nfs/dbraw/zinc/58/84/67/804588467.db2.gz LUTYEBPSQTVELN-PBFPGSCMSA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901316 804588469 /nfs/dbraw/zinc/58/84/69/804588469.db2.gz LUTYEBPSQTVELN-PBFPGSCMSA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246997309 804633101 /nfs/dbraw/zinc/63/31/01/804633101.db2.gz MAKVVTHUSBXOTH-MDZLAQPJSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246997309 804633104 /nfs/dbraw/zinc/63/31/04/804633104.db2.gz MAKVVTHUSBXOTH-MDZLAQPJSA-N 2 2 284.856 3.242 20 0 CGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001246997760 804633447 /nfs/dbraw/zinc/63/34/47/804633447.db2.gz BQZXLAWBLYCGRR-CVEARBPZSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001246997760 804633452 /nfs/dbraw/zinc/63/34/52/804633452.db2.gz BQZXLAWBLYCGRR-CVEARBPZSA-N 2 2 288.435 3.015 20 0 CGADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001142372271 804720510 /nfs/dbraw/zinc/72/05/10/804720510.db2.gz XXBMZXZGZCSUPM-UHFFFAOYSA-N 2 2 272.436 3.309 20 0 CGADLP COc1cccc2c(NCC[C@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC001165290145 806989240 /nfs/dbraw/zinc/98/92/40/806989240.db2.gz OXPDMBCFRULCBE-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP COc1cccc2c(NCC[C@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC001165290145 806989246 /nfs/dbraw/zinc/98/92/46/806989246.db2.gz OXPDMBCFRULCBE-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143591844 804871675 /nfs/dbraw/zinc/87/16/75/804871675.db2.gz MCHPTBBWVPNTLL-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cc(F)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143591844 804871681 /nfs/dbraw/zinc/87/16/81/804871681.db2.gz MCHPTBBWVPNTLL-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[N@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248524354 804942023 /nfs/dbraw/zinc/94/20/23/804942023.db2.gz YVSMQIKMKUXEKR-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP C[N@@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248524354 804942029 /nfs/dbraw/zinc/94/20/29/804942029.db2.gz YVSMQIKMKUXEKR-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1c2ccoc2ccc1F ZINC001248545702 804948142 /nfs/dbraw/zinc/94/81/42/804948142.db2.gz MCILNVWZUCCGEU-UHFFFAOYSA-N 2 2 278.371 3.346 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c2ccoc2ccc1F ZINC001248545702 804948151 /nfs/dbraw/zinc/94/81/51/804948151.db2.gz MCILNVWZUCCGEU-UHFFFAOYSA-N 2 2 278.371 3.346 20 0 CGADLP F[C@]1(CNc2cc3ccccc3c[nH+]2)CCCC[NH2+]C1 ZINC001155116363 805541365 /nfs/dbraw/zinc/54/13/65/805541365.db2.gz YQROVAFCAINWPZ-MRXNPFEDSA-N 2 2 273.355 3.129 20 0 CGADLP CC(C)[NH+]1CCC(CNc2[nH+]cccc2-n2cccc2)CC1 ZINC001166604525 807063194 /nfs/dbraw/zinc/06/31/94/807063194.db2.gz YKYVTOAFYSCFIX-UHFFFAOYSA-N 2 2 298.434 3.405 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](Cc2ccco2)C2CC2)CC1 ZINC001257221946 807064347 /nfs/dbraw/zinc/06/43/47/807064347.db2.gz MTKNWBFGBVXSJG-UHFFFAOYSA-N 2 2 262.397 3.117 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001257221946 807064356 /nfs/dbraw/zinc/06/43/56/807064356.db2.gz MTKNWBFGBVXSJG-UHFFFAOYSA-N 2 2 262.397 3.117 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC001257222252 807066395 /nfs/dbraw/zinc/06/63/95/807066395.db2.gz ZBCZLCPVBYGWCQ-UHFFFAOYSA-N 2 2 276.399 3.057 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001257222252 807066401 /nfs/dbraw/zinc/06/64/01/807066401.db2.gz ZBCZLCPVBYGWCQ-UHFFFAOYSA-N 2 2 276.399 3.057 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257294517 807089866 /nfs/dbraw/zinc/08/98/66/807089866.db2.gz QGPNEFWPVZUJJK-ROUUACIJSA-N 2 2 290.451 3.054 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257294517 807089876 /nfs/dbraw/zinc/08/98/76/807089876.db2.gz QGPNEFWPVZUJJK-ROUUACIJSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257309923 807099729 /nfs/dbraw/zinc/09/97/29/807099729.db2.gz ZRLMTPXLPWOMAO-CQSZACIVSA-N 2 2 261.413 3.076 20 0 CGADLP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321731 807106049 /nfs/dbraw/zinc/10/60/49/807106049.db2.gz NMZCTCYDVWZDGT-ZNMIVQPWSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321731 807106054 /nfs/dbraw/zinc/10/60/54/807106054.db2.gz NMZCTCYDVWZDGT-ZNMIVQPWSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257321731 807106056 /nfs/dbraw/zinc/10/60/56/807106056.db2.gz NMZCTCYDVWZDGT-ZNMIVQPWSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257321731 807106059 /nfs/dbraw/zinc/10/60/59/807106059.db2.gz NMZCTCYDVWZDGT-ZNMIVQPWSA-N 2 2 293.480 3.228 20 0 CGADLP CCCC(CCC)[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001257339564 807114687 /nfs/dbraw/zinc/11/46/87/807114687.db2.gz XMOPHXWZENAHHV-HOTGVXAUSA-N 2 2 270.436 3.463 20 0 CGADLP CCCC(CCC)[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001257339564 807114694 /nfs/dbraw/zinc/11/46/94/807114694.db2.gz XMOPHXWZENAHHV-HOTGVXAUSA-N 2 2 270.436 3.463 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)nc1 ZINC001258003143 807262833 /nfs/dbraw/zinc/26/28/33/807262833.db2.gz CHUBYZYNIVPIEU-HNNXBMFYSA-N 2 2 275.440 3.161 20 0 CGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(Cl)cc2)c1CC[NH3+] ZINC001168152105 807327899 /nfs/dbraw/zinc/32/78/99/807327899.db2.gz HKLNTINILGLNED-LLVKDONJSA-N 2 2 277.799 3.150 20 0 CGADLP C[C@H](Cc1ccco1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258183693 807348383 /nfs/dbraw/zinc/34/83/83/807348383.db2.gz QRVZCUQWYQPDDO-CYBMUJFWSA-N 2 2 281.359 3.406 20 0 CGADLP CCc1ccc[nH+]c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212710821 815111044 /nfs/dbraw/zinc/11/10/44/815111044.db2.gz SYWPKNURRCFYKS-UHFFFAOYSA-N 2 2 296.418 3.139 20 0 CGADLP C[C@H](Cc1cccc(F)c1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001168498500 807436094 /nfs/dbraw/zinc/43/60/94/807436094.db2.gz SFAGSGJPGDJDRA-HIFRSBDPSA-N 2 2 287.382 3.293 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCC(C)(C)C2)C1 ZINC001258608618 807506279 /nfs/dbraw/zinc/50/62/79/807506279.db2.gz MDWQLVIDYUYJAK-HUUCEWRRSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCC(C)(C)C2)C1 ZINC001258608618 807506282 /nfs/dbraw/zinc/50/62/82/807506282.db2.gz MDWQLVIDYUYJAK-HUUCEWRRSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698085 807552377 /nfs/dbraw/zinc/55/23/77/807552377.db2.gz VBRPWLRISIBRIN-OCCSQVGLSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698085 807552379 /nfs/dbraw/zinc/55/23/79/807552379.db2.gz VBRPWLRISIBRIN-OCCSQVGLSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258747112 807590682 /nfs/dbraw/zinc/59/06/82/807590682.db2.gz OLTBNSBMQNNMDO-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258747112 807590686 /nfs/dbraw/zinc/59/06/86/807590686.db2.gz OLTBNSBMQNNMDO-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258751173 807591744 /nfs/dbraw/zinc/59/17/44/807591744.db2.gz IYQYSEOYVXAWNJ-FRFSOERESA-N 2 2 292.854 3.155 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258751173 807591750 /nfs/dbraw/zinc/59/17/50/807591750.db2.gz IYQYSEOYVXAWNJ-FRFSOERESA-N 2 2 292.854 3.155 20 0 CGADLP CC1(C)C[C@H](Nc2ccn3cc[nH+]c3c2)C[C@](C)(C[NH3+])C1 ZINC001169149047 807593995 /nfs/dbraw/zinc/59/39/95/807593995.db2.gz XHXXCCXMDAOQSH-YOEHRIQHSA-N 2 2 286.423 3.290 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258789360 807614299 /nfs/dbraw/zinc/61/42/99/807614299.db2.gz ZSTYNKRLRMOYFM-UONOGXRCSA-N 2 2 250.386 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001169258772 807616546 /nfs/dbraw/zinc/61/65/46/807616546.db2.gz RBTATMRDFIZVIS-QGZVFWFLSA-N 2 2 276.399 3.447 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001169258772 807616551 /nfs/dbraw/zinc/61/65/51/807616551.db2.gz RBTATMRDFIZVIS-QGZVFWFLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258810032 807629204 /nfs/dbraw/zinc/62/92/04/807629204.db2.gz GXUGDFHWDASFIT-DOTOQJQBSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258828195 807642652 /nfs/dbraw/zinc/64/26/52/807642652.db2.gz JKAAVZPOBBUIMW-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258843722 807655467 /nfs/dbraw/zinc/65/54/67/807655467.db2.gz GGUVJNUQRKKVPS-KRWDZBQOSA-N 2 2 279.387 3.445 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001258899527 807669197 /nfs/dbraw/zinc/66/91/97/807669197.db2.gz AXRUPCPJGYUKPE-ROUUACIJSA-N 3 2 297.531 3.207 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC001261370426 807739390 /nfs/dbraw/zinc/73/93/90/807739390.db2.gz JDOHGVDSNXYRGN-SECBINFHSA-N 2 2 291.222 3.090 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001170131700 807769965 /nfs/dbraw/zinc/76/99/65/807769965.db2.gz KEPDVCNIQJWYSF-ZIAGYGMSSA-N 2 2 260.381 3.113 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137960 807772989 /nfs/dbraw/zinc/77/29/89/807772989.db2.gz QJVDUJQRZHFTQC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137960 807772991 /nfs/dbraw/zinc/77/29/91/807772991.db2.gz QJVDUJQRZHFTQC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137960 807772995 /nfs/dbraw/zinc/77/29/95/807772995.db2.gz QJVDUJQRZHFTQC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137960 807772998 /nfs/dbraw/zinc/77/29/98/807772998.db2.gz QJVDUJQRZHFTQC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP Cc1ccc(N([C@H]2CC[C@@H](C)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001170160433 807781459 /nfs/dbraw/zinc/78/14/59/807781459.db2.gz ZFENINSJZASPHK-CJNGLKHVSA-N 2 2 273.424 3.137 20 0 CGADLP CNc1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c[nH+]1 ZINC001170450628 807846055 /nfs/dbraw/zinc/84/60/55/807846055.db2.gz DDQQLDIPCGIJPA-UHFFFAOYSA-N 2 2 276.428 3.187 20 0 CGADLP Cc1c[nH+]cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1C ZINC001170626246 807867822 /nfs/dbraw/zinc/86/78/22/807867822.db2.gz CRSSJQFUHPOATO-UHFFFAOYSA-N 2 2 299.462 3.432 20 0 CGADLP Cc1cc(F)cc(NC2CCC(C)([NH+]3CCC3)CC2)[nH+]1 ZINC001262706908 807898921 /nfs/dbraw/zinc/89/89/21/807898921.db2.gz CCFKIFQQEQGJAH-UHFFFAOYSA-N 2 2 277.387 3.348 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171393948 808043641 /nfs/dbraw/zinc/04/36/41/808043641.db2.gz QXTOGQZJMDKBIY-MRXNPFEDSA-N 2 2 290.426 3.005 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546734 808375352 /nfs/dbraw/zinc/37/53/52/808375352.db2.gz PQIVYXFXIDRJMT-JQHSSLGASA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172839021 808454699 /nfs/dbraw/zinc/45/46/99/808454699.db2.gz AJIZYYVJZGIQIR-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172840711 808456051 /nfs/dbraw/zinc/45/60/51/808456051.db2.gz FMXRVXVXZNNPGH-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172840711 808456056 /nfs/dbraw/zinc/45/60/56/808456056.db2.gz FMXRVXVXZNNPGH-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172854458 808463220 /nfs/dbraw/zinc/46/32/20/808463220.db2.gz NOAGASUXGJIGLR-LBPRGKRZSA-N 2 2 286.822 3.342 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001173239647 808547265 /nfs/dbraw/zinc/54/72/65/808547265.db2.gz JQAMGYSYSBEADA-AWEZNQCLSA-N 2 2 283.419 3.201 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001173239647 808547268 /nfs/dbraw/zinc/54/72/68/808547268.db2.gz JQAMGYSYSBEADA-AWEZNQCLSA-N 2 2 283.419 3.201 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001173278340 808581767 /nfs/dbraw/zinc/58/17/67/808581767.db2.gz YZLVQUIOKZZVNM-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001173278340 808581773 /nfs/dbraw/zinc/58/17/73/808581773.db2.gz YZLVQUIOKZZVNM-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285478 808585459 /nfs/dbraw/zinc/58/54/59/808585459.db2.gz WKDBVLCAAWUDTC-GOEBONIOSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285478 808585465 /nfs/dbraw/zinc/58/54/65/808585465.db2.gz WKDBVLCAAWUDTC-GOEBONIOSA-N 2 2 252.446 3.370 20 0 CGADLP [NH3+]CCc1[nH+]ccn1C1CCC2(CCc3ccccc32)CC1 ZINC001173685754 808664324 /nfs/dbraw/zinc/66/43/24/808664324.db2.gz COMVKWJZWHQDHP-UHFFFAOYSA-N 2 2 295.430 3.384 20 0 CGADLP CN(C)c1cc[nH+]cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086043 815229128 /nfs/dbraw/zinc/22/91/28/815229128.db2.gz FACDIQCGWXWZSW-UHFFFAOYSA-N 2 2 279.347 3.281 20 0 CGADLP CCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001275103271 808907670 /nfs/dbraw/zinc/90/76/70/808907670.db2.gz IEJMRTMVALGEEJ-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[N@H+]1CCC[C@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC001275103271 808907675 /nfs/dbraw/zinc/90/76/75/808907675.db2.gz IEJMRTMVALGEEJ-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[NH+]1CCC[C@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC001275103271 808907680 /nfs/dbraw/zinc/90/76/80/808907680.db2.gz IEJMRTMVALGEEJ-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001275103271 808907685 /nfs/dbraw/zinc/90/76/85/808907685.db2.gz IEJMRTMVALGEEJ-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117321 808911563 /nfs/dbraw/zinc/91/15/63/808911563.db2.gz AAUSHLKGGPJCHC-GOSISDBHSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117321 808911572 /nfs/dbraw/zinc/91/15/72/808911572.db2.gz AAUSHLKGGPJCHC-GOSISDBHSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117321 808911580 /nfs/dbraw/zinc/91/15/80/808911580.db2.gz AAUSHLKGGPJCHC-GOSISDBHSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117321 808911588 /nfs/dbraw/zinc/91/15/88/808911588.db2.gz AAUSHLKGGPJCHC-GOSISDBHSA-N 2 2 289.467 3.493 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc2[nH+]ccn2c1 ZINC001174276791 808923495 /nfs/dbraw/zinc/92/34/95/808923495.db2.gz OTOWIPXNQKAMQQ-UHFFFAOYSA-N 2 2 252.321 3.344 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(O)c3Cl)(C1)CCC2 ZINC001275566455 808949239 /nfs/dbraw/zinc/94/92/39/808949239.db2.gz RTYPBJSZFDCIDB-JKSUJKDBSA-N 2 2 294.826 3.200 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1-c1ccccc1)C2 ZINC001275766208 808964010 /nfs/dbraw/zinc/96/40/10/808964010.db2.gz PVENUJNAISOWNB-APWZRJJASA-N 2 2 292.426 3.490 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccccc1-c1ccccc1)C2 ZINC001275766208 808964015 /nfs/dbraw/zinc/96/40/15/808964015.db2.gz PVENUJNAISOWNB-APWZRJJASA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001275766208 808964019 /nfs/dbraw/zinc/96/40/19/808964019.db2.gz PVENUJNAISOWNB-APWZRJJASA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001275766208 808964024 /nfs/dbraw/zinc/96/40/24/808964024.db2.gz PVENUJNAISOWNB-APWZRJJASA-N 2 2 292.426 3.490 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3cn1)C2 ZINC001275891344 808974579 /nfs/dbraw/zinc/97/45/79/808974579.db2.gz XUNBFYHXBBBVFG-LJQANCHMSA-N 2 2 295.430 3.153 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3cn1)C2 ZINC001275891344 808974585 /nfs/dbraw/zinc/97/45/85/808974585.db2.gz XUNBFYHXBBBVFG-LJQANCHMSA-N 2 2 295.430 3.153 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3cn1)C2 ZINC001275891344 808974590 /nfs/dbraw/zinc/97/45/90/808974590.db2.gz XUNBFYHXBBBVFG-LJQANCHMSA-N 2 2 295.430 3.153 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3cn1)C2 ZINC001275891344 808974596 /nfs/dbraw/zinc/97/45/96/808974596.db2.gz XUNBFYHXBBBVFG-LJQANCHMSA-N 2 2 295.430 3.153 20 0 CGADLP Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc(C)[nH+]1 ZINC001176051966 809608542 /nfs/dbraw/zinc/60/85/42/809608542.db2.gz KKPZSVCMLCVECO-UHFFFAOYSA-N 2 2 264.332 3.050 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC001177276835 809790825 /nfs/dbraw/zinc/79/08/25/809790825.db2.gz HNHWDWLJONECSV-LUKYLMHMSA-N 2 2 282.472 3.187 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC001177276835 809790829 /nfs/dbraw/zinc/79/08/29/809790829.db2.gz HNHWDWLJONECSV-LUKYLMHMSA-N 2 2 282.472 3.187 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC001177276837 809791373 /nfs/dbraw/zinc/79/13/73/809791373.db2.gz HNHWDWLJONECSV-WCXIOVBPSA-N 2 2 282.472 3.187 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC001177276837 809791374 /nfs/dbraw/zinc/79/13/74/809791374.db2.gz HNHWDWLJONECSV-WCXIOVBPSA-N 2 2 282.472 3.187 20 0 CGADLP CSc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC001177492045 809802632 /nfs/dbraw/zinc/80/26/32/809802632.db2.gz MHKWCHJWZQFHGC-UHFFFAOYSA-N 2 2 299.399 3.477 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177764150 809819691 /nfs/dbraw/zinc/81/96/91/809819691.db2.gz CFWNQZUFPGSCME-RISCZKNCSA-N 2 2 261.394 3.212 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1(C)C ZINC001182310054 810103811 /nfs/dbraw/zinc/10/38/11/810103811.db2.gz SZTIEHALXDFBNQ-LSDHHAIUSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1(C)C ZINC001182310054 810103813 /nfs/dbraw/zinc/10/38/13/810103813.db2.gz SZTIEHALXDFBNQ-LSDHHAIUSA-N 2 2 282.472 3.043 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046665 810135061 /nfs/dbraw/zinc/13/50/61/810135061.db2.gz ZPNVKKVQZLMJIO-IUODEOHRSA-N 2 2 298.833 3.484 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046665 810135062 /nfs/dbraw/zinc/13/50/62/810135062.db2.gz ZPNVKKVQZLMJIO-IUODEOHRSA-N 2 2 298.833 3.484 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001183379633 810147714 /nfs/dbraw/zinc/14/77/14/810147714.db2.gz PVQPLBSPSOLZRY-JQHSSLGASA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001183379633 810147717 /nfs/dbraw/zinc/14/77/17/810147717.db2.gz PVQPLBSPSOLZRY-JQHSSLGASA-N 2 2 296.499 3.434 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701198 811447590 /nfs/dbraw/zinc/44/75/90/811447590.db2.gz FMDNUYNVCTZIHX-RYQLBKOJSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701198 811447596 /nfs/dbraw/zinc/44/75/96/811447596.db2.gz FMDNUYNVCTZIHX-RYQLBKOJSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001197701198 811447603 /nfs/dbraw/zinc/44/76/03/811447603.db2.gz FMDNUYNVCTZIHX-RYQLBKOJSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001197701198 811447609 /nfs/dbraw/zinc/44/76/09/811447609.db2.gz FMDNUYNVCTZIHX-RYQLBKOJSA-N 2 2 272.436 3.176 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CCCC2CCC2)CC1 ZINC001198769902 811542362 /nfs/dbraw/zinc/54/23/62/811542362.db2.gz PNRAXCCTKPSWSN-UHFFFAOYSA-N 2 2 261.413 3.180 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001201429800 811843374 /nfs/dbraw/zinc/84/33/74/811843374.db2.gz WYIDLUBNSCLJPZ-HOTGVXAUSA-N 2 2 272.392 3.199 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001201429800 811843379 /nfs/dbraw/zinc/84/33/79/811843379.db2.gz WYIDLUBNSCLJPZ-HOTGVXAUSA-N 2 2 272.392 3.199 20 0 CGADLP CCc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)on1 ZINC001203231525 812273719 /nfs/dbraw/zinc/27/37/19/812273719.db2.gz GLLRVNSWQHOGMY-UHFFFAOYSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)on1 ZINC001203231525 812273725 /nfs/dbraw/zinc/27/37/25/812273725.db2.gz GLLRVNSWQHOGMY-UHFFFAOYSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CCCC3)CC2)c(C)[nH+]1 ZINC001203237254 812276035 /nfs/dbraw/zinc/27/60/35/812276035.db2.gz YQVWGNJIBRMGRP-UHFFFAOYSA-N 2 2 261.413 3.437 20 0 CGADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001203300334 812302018 /nfs/dbraw/zinc/30/20/18/812302018.db2.gz IJULMVPOZVRDPS-UHFFFAOYSA-N 2 2 276.424 3.427 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001203300334 812302026 /nfs/dbraw/zinc/30/20/26/812302026.db2.gz IJULMVPOZVRDPS-UHFFFAOYSA-N 2 2 276.424 3.427 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204009443 812517452 /nfs/dbraw/zinc/51/74/52/812517452.db2.gz YGTMHYGGSIZDTJ-IBGZPJMESA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204009443 812517455 /nfs/dbraw/zinc/51/74/55/812517455.db2.gz YGTMHYGGSIZDTJ-IBGZPJMESA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001204009443 812517457 /nfs/dbraw/zinc/51/74/57/812517457.db2.gz YGTMHYGGSIZDTJ-IBGZPJMESA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001204009443 812517460 /nfs/dbraw/zinc/51/74/60/812517460.db2.gz YGTMHYGGSIZDTJ-IBGZPJMESA-N 2 2 295.430 3.113 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C)n2)CC1 ZINC001204070770 812540217 /nfs/dbraw/zinc/54/02/17/812540217.db2.gz OTFYLAVDGUMHBQ-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)n2)CC1 ZINC001204070770 812540219 /nfs/dbraw/zinc/54/02/19/812540219.db2.gz OTFYLAVDGUMHBQ-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccc(O)cc2)C2CCCC2)CC1 ZINC001204099131 812549495 /nfs/dbraw/zinc/54/94/95/812549495.db2.gz QGNZJTILYTXZQS-UHFFFAOYSA-N 2 2 288.435 3.231 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccc(O)cc2)C2CCCC2)CC1 ZINC001204099131 812549500 /nfs/dbraw/zinc/54/95/00/812549500.db2.gz QGNZJTILYTXZQS-UHFFFAOYSA-N 2 2 288.435 3.231 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(SC)cc1 ZINC001204145872 812556878 /nfs/dbraw/zinc/55/68/78/812556878.db2.gz IKQVWLWVROBCGY-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(SC)cc1 ZINC001204145872 812556880 /nfs/dbraw/zinc/55/68/80/812556880.db2.gz IKQVWLWVROBCGY-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001204292547 812601660 /nfs/dbraw/zinc/60/16/60/812601660.db2.gz GIIKVRRJSMEPEN-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001204292547 812601667 /nfs/dbraw/zinc/60/16/67/812601667.db2.gz GIIKVRRJSMEPEN-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001204292547 812601669 /nfs/dbraw/zinc/60/16/69/812601669.db2.gz GIIKVRRJSMEPEN-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001204292547 812601673 /nfs/dbraw/zinc/60/16/73/812601673.db2.gz GIIKVRRJSMEPEN-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(C)o1 ZINC001204539287 812672031 /nfs/dbraw/zinc/67/20/31/812672031.db2.gz NLQQRODJMKKTAT-UHFFFAOYSA-N 2 2 252.402 3.060 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)o1 ZINC001204539287 812672033 /nfs/dbraw/zinc/67/20/33/812672033.db2.gz NLQQRODJMKKTAT-UHFFFAOYSA-N 2 2 252.402 3.060 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)oc1C ZINC001204541989 812673023 /nfs/dbraw/zinc/67/30/23/812673023.db2.gz QWZGXDYPOFXVPO-HNNXBMFYSA-N 2 2 286.375 3.253 20 0 CGADLP Cc1cc2[nH+]ccn2cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204638727 812697299 /nfs/dbraw/zinc/69/72/99/812697299.db2.gz NIHRXPPGOKTRBR-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204783614 812734970 /nfs/dbraw/zinc/73/49/70/812734970.db2.gz UZWBJRCYXNNDOO-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204783614 812734977 /nfs/dbraw/zinc/73/49/77/812734977.db2.gz UZWBJRCYXNNDOO-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204877247 812760131 /nfs/dbraw/zinc/76/01/31/812760131.db2.gz FLSWIEIRPHJYKK-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204877247 812760134 /nfs/dbraw/zinc/76/01/34/812760134.db2.gz FLSWIEIRPHJYKK-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP c1cn2ccc(Nc3c[nH+]ccc3N3CCCCC3)cc2[nH+]1 ZINC001204971986 812803571 /nfs/dbraw/zinc/80/35/71/812803571.db2.gz RYCSDKJTGGZMFW-UHFFFAOYSA-N 2 2 293.374 3.463 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318464 812951104 /nfs/dbraw/zinc/95/11/04/812951104.db2.gz UVSQHPCFCUBOLD-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318464 812951110 /nfs/dbraw/zinc/95/11/10/812951110.db2.gz UVSQHPCFCUBOLD-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205605492 813021426 /nfs/dbraw/zinc/02/14/26/813021426.db2.gz DBXRTRDJCZQIAN-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205605492 813021434 /nfs/dbraw/zinc/02/14/34/813021434.db2.gz DBXRTRDJCZQIAN-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650339 813040083 /nfs/dbraw/zinc/04/00/83/813040083.db2.gz KEKNSOXYYWGVLA-KBPBESRZSA-N 2 2 254.462 3.379 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650339 813040092 /nfs/dbraw/zinc/04/00/92/813040092.db2.gz KEKNSOXYYWGVLA-KBPBESRZSA-N 2 2 254.462 3.379 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(Nc2[nH+]cccc2N)cc1 ZINC001215743310 815572229 /nfs/dbraw/zinc/57/22/29/815572229.db2.gz XQKAZHHRTAZTMJ-UHFFFAOYSA-N 2 2 270.380 3.153 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCc2ccccc2Cl)C1 ZINC001205803523 813083078 /nfs/dbraw/zinc/08/30/78/813083078.db2.gz HNGAJWDJPZDYLF-HIFRSBDPSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205803523 813083086 /nfs/dbraw/zinc/08/30/86/813083086.db2.gz HNGAJWDJPZDYLF-HIFRSBDPSA-N 2 2 280.843 3.332 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1C(C)C ZINC001205814513 813091425 /nfs/dbraw/zinc/09/14/25/813091425.db2.gz CIYTXEMXVLCBRM-GDBMZVCRSA-N 2 2 290.451 3.378 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1C(C)C ZINC001205814513 813091432 /nfs/dbraw/zinc/09/14/32/813091432.db2.gz CIYTXEMXVLCBRM-GDBMZVCRSA-N 2 2 290.451 3.378 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001205902846 813124737 /nfs/dbraw/zinc/12/47/37/813124737.db2.gz MAFZWWJJJIDHJC-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001205902846 813124741 /nfs/dbraw/zinc/12/47/41/813124741.db2.gz MAFZWWJJJIDHJC-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043611 813179863 /nfs/dbraw/zinc/17/98/63/813179863.db2.gz NKGUOVFALFJAJM-QMTHXVAHSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043611 813179867 /nfs/dbraw/zinc/17/98/67/813179867.db2.gz NKGUOVFALFJAJM-QMTHXVAHSA-N 2 2 286.341 3.183 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CO1 ZINC001206049023 813181697 /nfs/dbraw/zinc/18/16/97/813181697.db2.gz GVVYDAOCXXAZIO-HOTGVXAUSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)CO1 ZINC001206049023 813181700 /nfs/dbraw/zinc/18/17/00/813181700.db2.gz GVVYDAOCXXAZIO-HOTGVXAUSA-N 2 2 292.398 3.077 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257876 813259529 /nfs/dbraw/zinc/25/95/29/813259529.db2.gz LHLCPBHBNUXFET-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257876 813259536 /nfs/dbraw/zinc/25/95/36/813259536.db2.gz LHLCPBHBNUXFET-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001206500986 813336661 /nfs/dbraw/zinc/33/66/61/813336661.db2.gz ZEHWGBTXUBDIGN-UHFFFAOYSA-N 2 2 288.769 3.179 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001206722794 813408023 /nfs/dbraw/zinc/40/80/23/813408023.db2.gz GPPQPMLTGKVXHC-UHFFFAOYSA-N 2 2 280.371 3.367 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1(C)C ZINC001207275421 813530394 /nfs/dbraw/zinc/53/03/94/813530394.db2.gz IVXFQEDCSPVGJG-BBWFWOEESA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1(C)C ZINC001207275421 813530398 /nfs/dbraw/zinc/53/03/98/813530398.db2.gz IVXFQEDCSPVGJG-BBWFWOEESA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1(C)C ZINC001207275421 813530402 /nfs/dbraw/zinc/53/04/02/813530402.db2.gz IVXFQEDCSPVGJG-BBWFWOEESA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1(C)C ZINC001207275421 813530406 /nfs/dbraw/zinc/53/04/06/813530406.db2.gz IVXFQEDCSPVGJG-BBWFWOEESA-N 2 2 276.468 3.395 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764135 813648339 /nfs/dbraw/zinc/64/83/39/813648339.db2.gz YZIFRAGTFRJWAO-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764135 813648345 /nfs/dbraw/zinc/64/83/45/813648345.db2.gz YZIFRAGTFRJWAO-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP FC(F)C1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947513 813906573 /nfs/dbraw/zinc/90/65/73/813906573.db2.gz LLZITMJGYCGSGK-HNNXBMFYSA-N 2 2 294.389 3.096 20 0 CGADLP FC(F)C1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947513 813906577 /nfs/dbraw/zinc/90/65/77/813906577.db2.gz LLZITMJGYCGSGK-HNNXBMFYSA-N 2 2 294.389 3.096 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(C)cc12)C1CC[NH+](C)CC1 ZINC001209496323 814062604 /nfs/dbraw/zinc/06/26/04/814062604.db2.gz DUVXGHNFXKHGTD-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(C)cc12)C1CC[NH+](C)CC1 ZINC001209496323 814062607 /nfs/dbraw/zinc/06/26/07/814062607.db2.gz DUVXGHNFXKHGTD-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP COc1cc2[nH+]ccn2cc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242694758 823103073 /nfs/dbraw/zinc/10/30/73/823103073.db2.gz RBVPRKHPKNUMCX-HNNXBMFYSA-N 2 2 297.402 3.375 20 0 CGADLP CC(C)[N@H+](Cc1ccccc1N(C)C)C1CC[NH+](C)CC1 ZINC001209782686 814139142 /nfs/dbraw/zinc/13/91/42/814139142.db2.gz WAQUHCBSPVQREC-UHFFFAOYSA-N 2 2 289.467 3.057 20 0 CGADLP CC(C)[N@@H+](Cc1ccccc1N(C)C)C1CC[NH+](C)CC1 ZINC001209782686 814139144 /nfs/dbraw/zinc/13/91/44/814139144.db2.gz WAQUHCBSPVQREC-UHFFFAOYSA-N 2 2 289.467 3.057 20 0 CGADLP Cc1[nH+]cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1N ZINC001210291975 814387417 /nfs/dbraw/zinc/38/74/17/814387417.db2.gz WZGXBRZUSHBNMA-INIZCTEOSA-N 2 2 298.390 3.101 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[NH2+]1 ZINC001210475999 814479442 /nfs/dbraw/zinc/47/94/42/814479442.db2.gz QSJQDHNOELZUFX-LLVKDONJSA-N 2 2 277.799 3.005 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[NH2+]1 ZINC001210475999 814479445 /nfs/dbraw/zinc/47/94/45/814479445.db2.gz QSJQDHNOELZUFX-LLVKDONJSA-N 2 2 277.799 3.005 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3nc(Cl)ccc3c2)CC[NH2+]1 ZINC001210496358 814489869 /nfs/dbraw/zinc/48/98/69/814489869.db2.gz GWKDNNOAADMTGE-GFCCVEGCSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CC[NH2+]1 ZINC001210496358 814489874 /nfs/dbraw/zinc/48/98/74/814489874.db2.gz GWKDNNOAADMTGE-GFCCVEGCSA-N 2 2 289.810 3.072 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222282888 816395531 /nfs/dbraw/zinc/39/55/31/816395531.db2.gz QGBIFUXFVBLZRI-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222282888 816395537 /nfs/dbraw/zinc/39/55/37/816395537.db2.gz QGBIFUXFVBLZRI-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP Fc1cccc(F)c1CC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222288462 816397943 /nfs/dbraw/zinc/39/79/43/816397943.db2.gz ZGBLFAWMGAAYFJ-UHFFFAOYSA-N 2 2 294.389 3.115 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c21 ZINC001222344819 816413783 /nfs/dbraw/zinc/41/37/83/816413783.db2.gz DCLLGMQZAPWISS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c21 ZINC001222344819 816413787 /nfs/dbraw/zinc/41/37/87/816413787.db2.gz DCLLGMQZAPWISS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222347157 816415296 /nfs/dbraw/zinc/41/52/96/816415296.db2.gz YBPCEWKPPLNKPN-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222347157 816415301 /nfs/dbraw/zinc/41/53/01/816415301.db2.gz YBPCEWKPPLNKPN-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353778 816417504 /nfs/dbraw/zinc/41/75/04/816417504.db2.gz HDDKZCXGXFPMBN-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222353778 816417510 /nfs/dbraw/zinc/41/75/10/816417510.db2.gz HDDKZCXGXFPMBN-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP Fc1ccc(-c2cccc(C[NH+]3CC4(C3)CC[NH2+]C4)c2)cc1 ZINC001222380082 816423606 /nfs/dbraw/zinc/42/36/06/816423606.db2.gz RMOTYHZDPARLDY-UHFFFAOYSA-N 2 2 296.389 3.288 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)o1 ZINC001222420871 816439681 /nfs/dbraw/zinc/43/96/81/816439681.db2.gz HTWKQUPIUASKQH-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)o1 ZINC001222420871 816439686 /nfs/dbraw/zinc/43/96/86/816439686.db2.gz HTWKQUPIUASKQH-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)nc1 ZINC001231646371 818147981 /nfs/dbraw/zinc/14/79/81/818147981.db2.gz FUKYGJDJVWICTD-QGZVFWFLSA-N 2 2 297.402 3.001 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)nc1 ZINC001231646371 818147985 /nfs/dbraw/zinc/14/79/85/818147985.db2.gz FUKYGJDJVWICTD-QGZVFWFLSA-N 2 2 297.402 3.001 20 0 CGADLP Fc1cccc2c1CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232016392 818234871 /nfs/dbraw/zinc/23/48/71/818234871.db2.gz XAKHOPOADVQOBP-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1cccc2c1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232016392 818234875 /nfs/dbraw/zinc/23/48/75/818234875.db2.gz XAKHOPOADVQOBP-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008725 818978558 /nfs/dbraw/zinc/97/85/58/818978558.db2.gz ZMKVNBFSFHTVBA-SUMWQHHRSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008725 818978562 /nfs/dbraw/zinc/97/85/62/818978562.db2.gz ZMKVNBFSFHTVBA-SUMWQHHRSA-N 2 2 292.382 3.380 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235067395 818995426 /nfs/dbraw/zinc/99/54/26/818995426.db2.gz ZGZFOMHMLIIKQC-MRXNPFEDSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235067395 818995429 /nfs/dbraw/zinc/99/54/29/818995429.db2.gz ZGZFOMHMLIIKQC-MRXNPFEDSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1cc(C[N@@H+]2CCC23CC[NH2+]CC3)cc(C)c1Cl ZINC001235103632 819002463 /nfs/dbraw/zinc/00/24/63/819002463.db2.gz VRRLASSRXWQOIC-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1cc(C[N@H+]2CCC23CC[NH2+]CC3)cc(C)c1Cl ZINC001235103632 819002465 /nfs/dbraw/zinc/00/24/65/819002465.db2.gz VRRLASSRXWQOIC-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC001235110135 819005278 /nfs/dbraw/zinc/00/52/78/819005278.db2.gz JTDPZFAGIFWSOQ-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128025 819013813 /nfs/dbraw/zinc/01/38/13/819013813.db2.gz ATBFLHYWFXNPGI-ARJAWSKDSA-N 2 2 294.483 3.358 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128025 819013820 /nfs/dbraw/zinc/01/38/20/819013820.db2.gz ATBFLHYWFXNPGI-ARJAWSKDSA-N 2 2 294.483 3.358 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001235167722 819021089 /nfs/dbraw/zinc/02/10/89/819021089.db2.gz NZMAVYFDIIKJFF-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001235167722 819021095 /nfs/dbraw/zinc/02/10/95/819021095.db2.gz NZMAVYFDIIKJFF-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184270 819027977 /nfs/dbraw/zinc/02/79/77/819027977.db2.gz IQUDXQZOMOFFPB-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184270 819027985 /nfs/dbraw/zinc/02/79/85/819027985.db2.gz IQUDXQZOMOFFPB-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC001235238903 819044711 /nfs/dbraw/zinc/04/47/11/819044711.db2.gz CMGAFTITMYGBGR-CZUORRHYSA-N 2 2 278.465 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC001235238903 819044716 /nfs/dbraw/zinc/04/47/16/819044716.db2.gz CMGAFTITMYGBGR-CZUORRHYSA-N 2 2 278.465 3.404 20 0 CGADLP c1csc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235692903 819143261 /nfs/dbraw/zinc/14/32/61/819143261.db2.gz WERXQTWSDOCGFU-CQSZACIVSA-N 2 2 264.438 3.070 20 0 CGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC001235740136 819157443 /nfs/dbraw/zinc/15/74/43/819157443.db2.gz LALMVVNTVBSQPS-QGZVFWFLSA-N 2 2 284.378 3.286 20 0 CGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC001235740136 819157446 /nfs/dbraw/zinc/15/74/46/819157446.db2.gz LALMVVNTVBSQPS-QGZVFWFLSA-N 2 2 284.378 3.286 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC001235841933 819183635 /nfs/dbraw/zinc/18/36/35/819183635.db2.gz KJZUZVNFINPUIU-LLVKDONJSA-N 2 2 287.234 3.343 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC001235841933 819183638 /nfs/dbraw/zinc/18/36/38/819183638.db2.gz KJZUZVNFINPUIU-LLVKDONJSA-N 2 2 287.234 3.343 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893648 819203778 /nfs/dbraw/zinc/20/37/78/819203778.db2.gz YBKMNLVIOSTSON-FZMZJTMJSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893648 819203806 /nfs/dbraw/zinc/20/38/06/819203806.db2.gz YBKMNLVIOSTSON-FZMZJTMJSA-N 2 2 286.341 3.060 20 0 CGADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](CCC2CCCCC2)C1 ZINC001235898964 819209556 /nfs/dbraw/zinc/20/95/56/819209556.db2.gz CWILRKHMKUYLPJ-OLZOCXBDSA-N 2 2 278.362 3.168 20 0 CGADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CCC2CCCCC2)C1 ZINC001235898964 819209564 /nfs/dbraw/zinc/20/95/64/819209564.db2.gz CWILRKHMKUYLPJ-OLZOCXBDSA-N 2 2 278.362 3.168 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)s1 ZINC001235902898 819212146 /nfs/dbraw/zinc/21/21/46/819212146.db2.gz GWJYWPQTHOLIOV-RYUDHWBXSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)s1 ZINC001235902898 819212150 /nfs/dbraw/zinc/21/21/50/819212150.db2.gz GWJYWPQTHOLIOV-RYUDHWBXSA-N 2 2 252.427 3.012 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927720 819226254 /nfs/dbraw/zinc/22/62/54/819226254.db2.gz KUYFDIAWWKUOBJ-MRXNPFEDSA-N 2 2 294.483 3.212 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927720 819226258 /nfs/dbraw/zinc/22/62/58/819226258.db2.gz KUYFDIAWWKUOBJ-MRXNPFEDSA-N 2 2 294.483 3.212 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1Cl ZINC001235941991 819233777 /nfs/dbraw/zinc/23/37/77/819233777.db2.gz XODKEOPJEQLKRO-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1Cl ZINC001235941991 819233781 /nfs/dbraw/zinc/23/37/81/819233781.db2.gz XODKEOPJEQLKRO-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949812 819239317 /nfs/dbraw/zinc/23/93/17/819239317.db2.gz ULRJSGFIRFZHGZ-RISCZKNCSA-N 2 2 282.815 3.057 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949812 819239323 /nfs/dbraw/zinc/23/93/23/819239323.db2.gz ULRJSGFIRFZHGZ-RISCZKNCSA-N 2 2 282.815 3.057 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)s1 ZINC001236045263 819282474 /nfs/dbraw/zinc/28/24/74/819282474.db2.gz BNIYSNHRTADAJF-QWHCGFSZSA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)s1 ZINC001236045263 819282480 /nfs/dbraw/zinc/28/24/80/819282480.db2.gz BNIYSNHRTADAJF-QWHCGFSZSA-N 2 2 266.454 3.260 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052366 819288374 /nfs/dbraw/zinc/28/83/74/819288374.db2.gz QKKLLFXEYQTXFT-OCCSQVGLSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052366 819288379 /nfs/dbraw/zinc/28/83/79/819288379.db2.gz QKKLLFXEYQTXFT-OCCSQVGLSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052068 819289194 /nfs/dbraw/zinc/28/91/94/819289194.db2.gz ZQTQFGHHPGZNPM-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052068 819289197 /nfs/dbraw/zinc/28/91/97/819289197.db2.gz ZQTQFGHHPGZNPM-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236094182 819312827 /nfs/dbraw/zinc/31/28/27/819312827.db2.gz RUOJPJONVXBRHR-BEFAXECRSA-N 2 2 280.415 3.056 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236094182 819312831 /nfs/dbraw/zinc/31/28/31/819312831.db2.gz RUOJPJONVXBRHR-BEFAXECRSA-N 2 2 280.415 3.056 20 0 CGADLP Fc1cccc(CC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001236093139 819312892 /nfs/dbraw/zinc/31/28/92/819312892.db2.gz RBRUJCJVUBQZTJ-GOSISDBHSA-N 2 2 290.426 3.222 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC001236204424 819367258 /nfs/dbraw/zinc/36/72/58/819367258.db2.gz ACAYYGJGYVJEGR-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC001236204424 819367263 /nfs/dbraw/zinc/36/72/63/819367263.db2.gz ACAYYGJGYVJEGR-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc(C)c1F ZINC001236207158 819369048 /nfs/dbraw/zinc/36/90/48/819369048.db2.gz MQOVIRPMBSTMIL-MRXNPFEDSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc(C)c1F ZINC001236207158 819369052 /nfs/dbraw/zinc/36/90/52/819369052.db2.gz MQOVIRPMBSTMIL-MRXNPFEDSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c21 ZINC001236207823 819369820 /nfs/dbraw/zinc/36/98/20/819369820.db2.gz PTKVDRYCLYXFQD-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c21 ZINC001236207823 819369825 /nfs/dbraw/zinc/36/98/25/819369825.db2.gz PTKVDRYCLYXFQD-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1coc2ccc(F)cc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236209725 819371426 /nfs/dbraw/zinc/37/14/26/819371426.db2.gz ZCZQQTVCGLNFGM-INIZCTEOSA-N 2 2 276.355 3.146 20 0 CGADLP C[N@@H+](Cc1coc2ccc(F)cc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236209725 819371430 /nfs/dbraw/zinc/37/14/30/819371430.db2.gz ZCZQQTVCGLNFGM-INIZCTEOSA-N 2 2 276.355 3.146 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214718 819379201 /nfs/dbraw/zinc/37/92/01/819379201.db2.gz DWMMKFVVJYANFS-HUUCEWRRSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214718 819379206 /nfs/dbraw/zinc/37/92/06/819379206.db2.gz DWMMKFVVJYANFS-HUUCEWRRSA-N 2 2 282.815 3.050 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236221362 819387861 /nfs/dbraw/zinc/38/78/61/819387861.db2.gz CRUOMPWBIKWBAF-SFHVURJKSA-N 2 2 295.430 3.194 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236221362 819387868 /nfs/dbraw/zinc/38/78/68/819387868.db2.gz CRUOMPWBIKWBAF-SFHVURJKSA-N 2 2 295.430 3.194 20 0 CGADLP Fc1ccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236237100 819396371 /nfs/dbraw/zinc/39/63/71/819396371.db2.gz OWUFHMGTHMJACR-OAHLLOKOSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236237100 819396380 /nfs/dbraw/zinc/39/63/80/819396380.db2.gz OWUFHMGTHMJACR-OAHLLOKOSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236237099 819397318 /nfs/dbraw/zinc/39/73/18/819397318.db2.gz OWUFHMGTHMJACR-HNNXBMFYSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236237099 819397324 /nfs/dbraw/zinc/39/73/24/819397324.db2.gz OWUFHMGTHMJACR-HNNXBMFYSA-N 2 2 287.382 3.023 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324076 819425628 /nfs/dbraw/zinc/42/56/28/819425628.db2.gz PQFBFZHKJORMQW-KRWDZBQOSA-N 2 2 290.451 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324076 819425633 /nfs/dbraw/zinc/42/56/33/819425633.db2.gz PQFBFZHKJORMQW-KRWDZBQOSA-N 2 2 290.451 3.222 20 0 CGADLP CC/C=C\CCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331695 819428094 /nfs/dbraw/zinc/42/80/94/819428094.db2.gz YHTZQZQUSVWKBE-CHYADLBTSA-N 2 2 282.472 3.213 20 0 CGADLP CC/C=C\CCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331695 819428099 /nfs/dbraw/zinc/42/80/99/819428099.db2.gz YHTZQZQUSVWKBE-CHYADLBTSA-N 2 2 282.472 3.213 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395851 819449645 /nfs/dbraw/zinc/44/96/45/819449645.db2.gz UECJXJXYEJWLKR-KMFMINBZSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395851 819449650 /nfs/dbraw/zinc/44/96/50/819449650.db2.gz UECJXJXYEJWLKR-KMFMINBZSA-N 2 2 276.399 3.036 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236408451 819456059 /nfs/dbraw/zinc/45/60/59/819456059.db2.gz MPVUETKFLZNLAU-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(Cl)c1F)C[C@H]1CC[NH2+]C1 ZINC001236408451 819456055 /nfs/dbraw/zinc/45/60/55/819456055.db2.gz MPVUETKFLZNLAU-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001236436578 819478385 /nfs/dbraw/zinc/47/83/85/819478385.db2.gz YSRZEGKPZXTVSJ-SFHVURJKSA-N 2 2 284.378 3.226 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001236436578 819478388 /nfs/dbraw/zinc/47/83/88/819478388.db2.gz YSRZEGKPZXTVSJ-SFHVURJKSA-N 2 2 284.378 3.226 20 0 CGADLP CC(C)C[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511008 819508191 /nfs/dbraw/zinc/50/81/91/819508191.db2.gz ITUOGURDWIYYOX-UHFFFAOYSA-N 2 2 282.378 3.175 20 0 CGADLP CC(C)C[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511008 819508195 /nfs/dbraw/zinc/50/81/95/819508195.db2.gz ITUOGURDWIYYOX-UHFFFAOYSA-N 2 2 282.378 3.175 20 0 CGADLP CC(C)[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236530699 819522300 /nfs/dbraw/zinc/52/23/00/819522300.db2.gz TUYFCZGGICYOLL-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001236530699 819522304 /nfs/dbraw/zinc/52/23/04/819522304.db2.gz TUYFCZGGICYOLL-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236531397 819523493 /nfs/dbraw/zinc/52/34/93/819523493.db2.gz YAYZNNNVJOOIAW-CYBMUJFWSA-N 2 2 276.355 3.144 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CC[NH2+]C1 ZINC001236531397 819523498 /nfs/dbraw/zinc/52/34/98/819523498.db2.gz YAYZNNNVJOOIAW-CYBMUJFWSA-N 2 2 276.355 3.144 20 0 CGADLP Cc1nc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001236601728 819550758 /nfs/dbraw/zinc/55/07/58/819550758.db2.gz LXQBOEFMDMVZEA-UHFFFAOYSA-N 2 2 291.439 3.130 20 0 CGADLP Cc1nc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001236601728 819550765 /nfs/dbraw/zinc/55/07/65/819550765.db2.gz LXQBOEFMDMVZEA-UHFFFAOYSA-N 2 2 291.439 3.130 20 0 CGADLP CC(C)(C)CC[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646200 819559967 /nfs/dbraw/zinc/55/99/67/819559967.db2.gz FBNQUENDLULDJR-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)(C)CC[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646200 819559974 /nfs/dbraw/zinc/55/99/74/819559974.db2.gz FBNQUENDLULDJR-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@H]2C1 ZINC001236860278 819624446 /nfs/dbraw/zinc/62/44/46/819624446.db2.gz XZGJFJGHCXPYMN-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236870454 819628078 /nfs/dbraw/zinc/62/80/78/819628078.db2.gz RRTJRIFURUPQAA-KRWDZBQOSA-N 2 2 280.415 3.427 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236870454 819628084 /nfs/dbraw/zinc/62/80/84/819628084.db2.gz RRTJRIFURUPQAA-KRWDZBQOSA-N 2 2 280.415 3.427 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCC2CCCCC2)c1 ZINC001236908957 819636635 /nfs/dbraw/zinc/63/66/35/819636635.db2.gz NPYGRIOICJGQFE-HNNXBMFYSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCC2CCCCC2)c1 ZINC001236908957 819636640 /nfs/dbraw/zinc/63/66/40/819636640.db2.gz NPYGRIOICJGQFE-HNNXBMFYSA-N 2 2 290.451 3.425 20 0 CGADLP CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914312 819636733 /nfs/dbraw/zinc/63/67/33/819636733.db2.gz UOBYBKZQZPVVTA-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914312 819636736 /nfs/dbraw/zinc/63/67/36/819636736.db2.gz UOBYBKZQZPVVTA-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP [NH3+]CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001237042493 819648649 /nfs/dbraw/zinc/64/86/49/819648649.db2.gz MZEHCKPJOBKDCD-HNNXBMFYSA-N 2 2 282.378 3.240 20 0 CGADLP [NH3+]CCCCC[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001237042493 819648650 /nfs/dbraw/zinc/64/86/50/819648650.db2.gz MZEHCKPJOBKDCD-HNNXBMFYSA-N 2 2 282.378 3.240 20 0 CGADLP C[N@H+](Cc1cc(O)cc2ccccc21)C1CC[NH+](C)CC1 ZINC001237066952 819659065 /nfs/dbraw/zinc/65/90/65/819659065.db2.gz XUCSAXCUWVRXSI-UHFFFAOYSA-N 2 2 284.403 3.071 20 0 CGADLP C[N@@H+](Cc1cc(O)cc2ccccc21)C1CC[NH+](C)CC1 ZINC001237066952 819659071 /nfs/dbraw/zinc/65/90/71/819659071.db2.gz XUCSAXCUWVRXSI-UHFFFAOYSA-N 2 2 284.403 3.071 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001237079740 819662568 /nfs/dbraw/zinc/66/25/68/819662568.db2.gz ALZBUOCEVHMYIV-KRWDZBQOSA-N 2 2 294.414 3.174 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001237079740 819662572 /nfs/dbraw/zinc/66/25/72/819662572.db2.gz ALZBUOCEVHMYIV-KRWDZBQOSA-N 2 2 294.414 3.174 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC001237155892 819683285 /nfs/dbraw/zinc/68/32/85/819683285.db2.gz USEPEVJNJAYVBW-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC001237155892 819683289 /nfs/dbraw/zinc/68/32/89/819683289.db2.gz USEPEVJNJAYVBW-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204779 819697803 /nfs/dbraw/zinc/69/78/03/819697803.db2.gz SUPILLMEWKFCPN-PWSUYJOCSA-N 2 2 260.406 3.131 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001237330233 819729272 /nfs/dbraw/zinc/72/92/72/819729272.db2.gz OFUPQHFOFJBBRM-AEFFLSMTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001237330233 819729277 /nfs/dbraw/zinc/72/92/77/819729277.db2.gz OFUPQHFOFJBBRM-AEFFLSMTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001237330233 819729283 /nfs/dbraw/zinc/72/92/83/819729283.db2.gz OFUPQHFOFJBBRM-AEFFLSMTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001237330233 819729286 /nfs/dbraw/zinc/72/92/86/819729286.db2.gz OFUPQHFOFJBBRM-AEFFLSMTSA-N 2 2 272.436 3.083 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001237406979 819745419 /nfs/dbraw/zinc/74/54/19/819745419.db2.gz WHCOEASRLDHDRD-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1Cl ZINC001237406979 819745421 /nfs/dbraw/zinc/74/54/21/819745421.db2.gz WHCOEASRLDHDRD-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237417600 819748843 /nfs/dbraw/zinc/74/88/43/819748843.db2.gz UYKRHFOPQATAQU-DOTOQJQBSA-N 2 2 292.854 3.476 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237417600 819748847 /nfs/dbraw/zinc/74/88/47/819748847.db2.gz UYKRHFOPQATAQU-DOTOQJQBSA-N 2 2 292.854 3.476 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001237466735 819757875 /nfs/dbraw/zinc/75/78/75/819757875.db2.gz XKAMQTLQXZLINY-GWCFXTLKSA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001237466735 819757878 /nfs/dbraw/zinc/75/78/78/819757878.db2.gz XKAMQTLQXZLINY-GWCFXTLKSA-N 2 2 285.229 3.179 20 0 CGADLP CCOc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)ccc1C ZINC001238077647 819926570 /nfs/dbraw/zinc/92/65/70/819926570.db2.gz ZBDYWITZMCVVOC-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Oc1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1Cl ZINC001243578796 823452968 /nfs/dbraw/zinc/45/29/68/823452968.db2.gz RYNOVIQMJRXSJA-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP c1cc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc2[nH]1 ZINC001239696162 820528324 /nfs/dbraw/zinc/52/83/24/820528324.db2.gz XUTALLCGYSMGKY-UHFFFAOYSA-N 2 2 288.354 3.169 20 0 CGADLP c1cn2ccc(-c3ccc([C@@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001240512971 821108500 /nfs/dbraw/zinc/10/85/00/821108500.db2.gz FCFXPSMLDHXOKD-MRXNPFEDSA-N 2 2 263.344 3.078 20 0 CGADLP CCOc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241116805 821571246 /nfs/dbraw/zinc/57/12/46/821571246.db2.gz RHPVGVJWARZDMY-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241116805 821571251 /nfs/dbraw/zinc/57/12/51/821571251.db2.gz RHPVGVJWARZDMY-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1[nH+]ccc(-c2ccc(OCC[NH+](C)C)cc2)c1C ZINC001242150664 822895350 /nfs/dbraw/zinc/89/53/50/822895350.db2.gz OLXVLABRAMTIMZ-UHFFFAOYSA-N 2 2 270.376 3.306 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3cc[nH]c32)C1 ZINC001242361635 822966957 /nfs/dbraw/zinc/96/69/57/822966957.db2.gz OWYCYGZTQGHJOG-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cc[nH]c32)C1 ZINC001242361635 822966960 /nfs/dbraw/zinc/96/69/60/822966960.db2.gz OWYCYGZTQGHJOG-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4cc[nH]c43)cc2)C1 ZINC001242361810 822967019 /nfs/dbraw/zinc/96/70/19/822967019.db2.gz RHIUDFIKNUSIRA-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4cc[nH]c43)cc2)C1 ZINC001242361810 822967024 /nfs/dbraw/zinc/96/70/24/822967024.db2.gz RHIUDFIKNUSIRA-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)o1 ZINC001242406710 822983455 /nfs/dbraw/zinc/98/34/55/822983455.db2.gz FZLWNSFRGYHXQN-MRXNPFEDSA-N 2 2 270.376 3.096 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)o1 ZINC001242406710 822983456 /nfs/dbraw/zinc/98/34/56/822983456.db2.gz FZLWNSFRGYHXQN-MRXNPFEDSA-N 2 2 270.376 3.096 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cs1 ZINC001338880056 936337736 /nfs/dbraw/zinc/33/77/36/936337736.db2.gz HGKYGSWKMVIKIV-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC23CC[NH+](C)CC3)cs1 ZINC001338880056 936337739 /nfs/dbraw/zinc/33/77/39/936337739.db2.gz HGKYGSWKMVIKIV-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2CF)CC1 ZINC001351092570 937008174 /nfs/dbraw/zinc/00/81/74/937008174.db2.gz VOQLXYNWYFMWFF-UHFFFAOYSA-N 2 2 278.415 3.462 20 0 CGADLP CCc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]c1 ZINC001354110413 937090262 /nfs/dbraw/zinc/09/02/62/937090262.db2.gz PTSUMTCUWSYMKH-MRXNPFEDSA-N 2 2 273.424 3.099 20 0 CGADLP CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473918944 937202435 /nfs/dbraw/zinc/20/24/35/937202435.db2.gz RFBBDKXDFRZFSE-INIZCTEOSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473918944 937202437 /nfs/dbraw/zinc/20/24/37/937202437.db2.gz RFBBDKXDFRZFSE-INIZCTEOSA-N 2 2 260.425 3.429 20 0 CGADLP COCC1([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC001460735635 937542610 /nfs/dbraw/zinc/54/26/10/937542610.db2.gz ZCRNQKURDFEZRZ-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP COCC1([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC001460735635 937542611 /nfs/dbraw/zinc/54/26/11/937542611.db2.gz ZCRNQKURDFEZRZ-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC001461173931 937567668 /nfs/dbraw/zinc/56/76/68/937567668.db2.gz YMHHSQRLZVSCGM-AWEZNQCLSA-N 2 2 295.496 3.477 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001461173931 937567670 /nfs/dbraw/zinc/56/76/70/937567670.db2.gz YMHHSQRLZVSCGM-AWEZNQCLSA-N 2 2 295.496 3.477 20 0 CGADLP CC(C)c1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001461269797 937573617 /nfs/dbraw/zinc/57/36/17/937573617.db2.gz WQDODKSKGPBSCK-QGZVFWFLSA-N 2 2 292.492 3.337 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001461636494 937589703 /nfs/dbraw/zinc/58/97/03/937589703.db2.gz GBSXQFINOTYXRQ-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001461636494 937589705 /nfs/dbraw/zinc/58/97/05/937589705.db2.gz GBSXQFINOTYXRQ-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC001331991582 932729839 /nfs/dbraw/zinc/72/98/39/932729839.db2.gz WPHIVMRLYGIUKR-AWEZNQCLSA-N 2 2 294.464 3.452 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC001331991582 932729844 /nfs/dbraw/zinc/72/98/44/932729844.db2.gz WPHIVMRLYGIUKR-AWEZNQCLSA-N 2 2 294.464 3.452 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001308264887 933085080 /nfs/dbraw/zinc/08/50/80/933085080.db2.gz UTYRIYWVPPKDMM-CVEARBPZSA-N 2 2 288.435 3.017 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001308264887 933085084 /nfs/dbraw/zinc/08/50/84/933085084.db2.gz UTYRIYWVPPKDMM-CVEARBPZSA-N 2 2 288.435 3.017 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415217 933107434 /nfs/dbraw/zinc/10/74/34/933107434.db2.gz UWINXWJHGPEJIT-RCCFBDPRSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001308415217 933107438 /nfs/dbraw/zinc/10/74/38/933107438.db2.gz UWINXWJHGPEJIT-RCCFBDPRSA-N 2 2 296.499 3.028 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308841269 933187871 /nfs/dbraw/zinc/18/78/71/933187871.db2.gz VPFWSBKOXBEMAD-QRQLOZEOSA-N 2 2 284.447 3.323 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308841269 933187875 /nfs/dbraw/zinc/18/78/75/933187875.db2.gz VPFWSBKOXBEMAD-QRQLOZEOSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001319813508 933936545 /nfs/dbraw/zinc/93/65/45/933936545.db2.gz BRBTVLOUVMWNRS-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001319813508 933936546 /nfs/dbraw/zinc/93/65/46/933936546.db2.gz BRBTVLOUVMWNRS-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001319813508 933936548 /nfs/dbraw/zinc/93/65/48/933936548.db2.gz BRBTVLOUVMWNRS-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001319813508 933936549 /nfs/dbraw/zinc/93/65/49/933936549.db2.gz BRBTVLOUVMWNRS-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1ccoc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320510239 934056766 /nfs/dbraw/zinc/05/67/66/934056766.db2.gz UBLGVBVIVFHXQB-HNNXBMFYSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1ccoc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320510239 934056772 /nfs/dbraw/zinc/05/67/72/934056772.db2.gz UBLGVBVIVFHXQB-HNNXBMFYSA-N 2 2 285.391 3.368 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC001323703520 934419813 /nfs/dbraw/zinc/41/98/13/934419813.db2.gz NIBAFZZMDJDRCQ-ZIAGYGMSSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC001323703520 934419816 /nfs/dbraw/zinc/41/98/16/934419816.db2.gz NIBAFZZMDJDRCQ-ZIAGYGMSSA-N 2 2 293.480 3.217 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485087 937808789 /nfs/dbraw/zinc/80/87/89/937808789.db2.gz VUVMZYPOVCPEGZ-VVLHAWIVSA-N 2 2 296.499 3.146 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485087 937808791 /nfs/dbraw/zinc/80/87/91/937808791.db2.gz VUVMZYPOVCPEGZ-VVLHAWIVSA-N 2 2 296.499 3.146 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sccc1Br ZINC001325742430 934926212 /nfs/dbraw/zinc/92/62/12/934926212.db2.gz FJSVCDZADKJFIC-IUCAKERBSA-N 2 2 291.258 3.159 20 0 CGADLP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]c2ccccc12 ZINC001326233877 934961641 /nfs/dbraw/zinc/96/16/41/934961641.db2.gz GZBDVUZDTULURD-MRXNPFEDSA-N 2 2 295.430 3.465 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530200 935293187 /nfs/dbraw/zinc/29/31/87/935293187.db2.gz WEWYUQSARCYTSH-HNAYVOBHSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530200 935293188 /nfs/dbraw/zinc/29/31/88/935293188.db2.gz WEWYUQSARCYTSH-HNAYVOBHSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530200 935293192 /nfs/dbraw/zinc/29/31/92/935293192.db2.gz WEWYUQSARCYTSH-HNAYVOBHSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530200 935293195 /nfs/dbraw/zinc/29/31/95/935293195.db2.gz WEWYUQSARCYTSH-HNAYVOBHSA-N 2 2 299.462 3.272 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001336735743 936212016 /nfs/dbraw/zinc/21/20/16/936212016.db2.gz OJACTQRYEUNINR-DOMZBBRYSA-N 2 2 278.440 3.458 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001336735743 936212021 /nfs/dbraw/zinc/21/20/21/936212021.db2.gz OJACTQRYEUNINR-DOMZBBRYSA-N 2 2 278.440 3.458 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC001474575086 937868371 /nfs/dbraw/zinc/86/83/71/937868371.db2.gz AEKGJMGUVXIIIK-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC001474575086 937868372 /nfs/dbraw/zinc/86/83/72/937868372.db2.gz AEKGJMGUVXIIIK-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337787 938151368 /nfs/dbraw/zinc/15/13/68/938151368.db2.gz YDUKYIKSJSYZAT-KBPBESRZSA-N 2 2 263.429 3.282 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337787 938151369 /nfs/dbraw/zinc/15/13/69/938151369.db2.gz YDUKYIKSJSYZAT-KBPBESRZSA-N 2 2 263.429 3.282 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1F ZINC001548847745 938152328 /nfs/dbraw/zinc/15/23/28/938152328.db2.gz VYGYQSNNUVIMNB-CQSZACIVSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1F ZINC001548847745 938152329 /nfs/dbraw/zinc/15/23/29/938152329.db2.gz VYGYQSNNUVIMNB-CQSZACIVSA-N 2 2 287.382 3.247 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001548847660 938152392 /nfs/dbraw/zinc/15/23/92/938152392.db2.gz JICSOZBSHHDATD-OAHLLOKOSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001548847660 938152393 /nfs/dbraw/zinc/15/23/93/938152393.db2.gz JICSOZBSHHDATD-OAHLLOKOSA-N 2 2 299.418 3.117 20 0 CGADLP c1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC001549338278 938156705 /nfs/dbraw/zinc/15/67/05/938156705.db2.gz WKJHQFSFBHNCOB-BBWFWOEESA-N 2 2 270.420 3.054 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC2(C)CCCC2)C1 ZINC001550057822 938162472 /nfs/dbraw/zinc/16/24/72/938162472.db2.gz CIZPGYZPEHUEJV-CQSZACIVSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2(C)CCCC2)C1 ZINC001550057822 938162473 /nfs/dbraw/zinc/16/24/73/938162473.db2.gz CIZPGYZPEHUEJV-CQSZACIVSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001550241667 938164731 /nfs/dbraw/zinc/16/47/31/938164731.db2.gz AALVFONPQHPABN-OAGGEKHMSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001550241667 938164732 /nfs/dbraw/zinc/16/47/32/938164732.db2.gz AALVFONPQHPABN-OAGGEKHMSA-N 2 2 273.424 3.036 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001551377946 938180671 /nfs/dbraw/zinc/18/06/71/938180671.db2.gz KVIHWMFRHKHXFB-FASAQXTFSA-N 2 2 296.414 3.361 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551378651 938180675 /nfs/dbraw/zinc/18/06/75/938180675.db2.gz RPYPTZVVCNUPBN-VHSSKADRSA-N 2 2 266.388 3.270 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC001551379675 938180791 /nfs/dbraw/zinc/18/07/91/938180791.db2.gz ZRGSVALAWFBHAB-HRCADAONSA-N 2 2 272.417 3.414 20 0 CGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1cscc1Cl ZINC001553026215 938196152 /nfs/dbraw/zinc/19/61/52/938196152.db2.gz VFFQZSIVLFLCCC-UHTWSYAYSA-N 2 2 284.856 3.268 20 0 CGADLP CCO[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001560454419 938258820 /nfs/dbraw/zinc/25/88/20/938258820.db2.gz XCLXALXXFPYFJF-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP CCO[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001560454419 938258821 /nfs/dbraw/zinc/25/88/21/938258821.db2.gz XCLXALXXFPYFJF-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001560549471 938262744 /nfs/dbraw/zinc/26/27/44/938262744.db2.gz GBSXQFINOTYXRQ-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001560549471 938262745 /nfs/dbraw/zinc/26/27/45/938262745.db2.gz GBSXQFINOTYXRQ-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1C ZINC001560644894 938267714 /nfs/dbraw/zinc/26/77/14/938267714.db2.gz VLUBCEGGFVQMAU-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc(C)c1C ZINC001560644894 938267715 /nfs/dbraw/zinc/26/77/15/938267715.db2.gz VLUBCEGGFVQMAU-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C)c1C ZINC001560644894 938267717 /nfs/dbraw/zinc/26/77/17/938267717.db2.gz VLUBCEGGFVQMAU-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)c1C ZINC001560644894 938267718 /nfs/dbraw/zinc/26/77/18/938267718.db2.gz VLUBCEGGFVQMAU-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001560805995 938276672 /nfs/dbraw/zinc/27/66/72/938276672.db2.gz PDJSXAPJZBBMEO-ROUUACIJSA-N 2 2 286.463 3.254 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001560805995 938276673 /nfs/dbraw/zinc/27/66/73/938276673.db2.gz PDJSXAPJZBBMEO-ROUUACIJSA-N 2 2 286.463 3.254 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001560934871 938284977 /nfs/dbraw/zinc/28/49/77/938284977.db2.gz CETCLEZHKQAKBA-GOEBONIOSA-N 2 2 292.492 3.413 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001560934871 938284978 /nfs/dbraw/zinc/28/49/78/938284978.db2.gz CETCLEZHKQAKBA-GOEBONIOSA-N 2 2 292.492 3.413 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C[NH2+]1 ZINC001576671159 960477515 /nfs/dbraw/zinc/47/75/15/960477515.db2.gz SVUBMZXVJQXJPA-FZMZJTMJSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)[C@H]1C[NH3+] ZINC001576704124 962484272 /nfs/dbraw/zinc/48/42/72/962484272.db2.gz LQJBSSJPLUZPJR-IKGGRYGDSA-N 2 2 294.483 3.318 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)[C@H]1C[NH3+] ZINC001576704124 962484282 /nfs/dbraw/zinc/48/42/82/962484282.db2.gz LQJBSSJPLUZPJR-IKGGRYGDSA-N 2 2 294.483 3.318 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001578266803 962585987 /nfs/dbraw/zinc/58/59/87/962585987.db2.gz RMGVNSRWOGPBMA-CQSZACIVSA-N 2 2 264.388 3.091 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001578266803 962586007 /nfs/dbraw/zinc/58/60/07/962586007.db2.gz RMGVNSRWOGPBMA-CQSZACIVSA-N 2 2 264.388 3.091 20 0 CGADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)CC(C)(C)[NH3+] ZINC001578494221 962597813 /nfs/dbraw/zinc/59/78/13/962597813.db2.gz IEXIVPWPVDAPAF-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)CC(C)(C)[NH3+] ZINC001578494221 962597824 /nfs/dbraw/zinc/59/78/24/962597824.db2.gz IEXIVPWPVDAPAF-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP Cc1cc(NC[C@H]([NH3+])c2ccccc2)nc(C2CCC2)[nH+]1 ZINC001579636279 962645773 /nfs/dbraw/zinc/64/57/73/962645773.db2.gz ZHWWINIOIYSHTH-HNNXBMFYSA-N 2 2 282.391 3.164 20 0 CGADLP Oc1cc(Cl)cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001580888020 962744826 /nfs/dbraw/zinc/74/48/26/962744826.db2.gz DWINWRSPEVYOBB-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1cc(Cl)cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001580888020 962744839 /nfs/dbraw/zinc/74/48/39/962744839.db2.gz DWINWRSPEVYOBB-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP C([NH2+][C@@H]1CCC12CCC2)C1([NH+]2CCSCC2)CCCC1 ZINC000337393606 214051402 /nfs/dbraw/zinc/05/14/02/214051402.db2.gz MCZKHJLFFCRFPU-OAHLLOKOSA-N 2 2 294.508 3.270 20 0 CGADLP Cn1c[nH+]cc1CCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621400601 349519588 /nfs/dbraw/zinc/51/95/88/349519588.db2.gz MEGVPPNNOJFYDB-AWEZNQCLSA-N 2 2 285.382 3.156 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000273065652 192034021 /nfs/dbraw/zinc/03/40/21/192034021.db2.gz NKLSCDFHYPKSOO-CVEARBPZSA-N 2 2 299.418 3.167 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2s1 ZINC000124740819 187151327 /nfs/dbraw/zinc/15/13/27/187151327.db2.gz SYNCKOVJFHKQJF-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2s1 ZINC000124740819 187151328 /nfs/dbraw/zinc/15/13/28/187151328.db2.gz SYNCKOVJFHKQJF-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1nc2ccccc2s1 ZINC000124740819 187151329 /nfs/dbraw/zinc/15/13/29/187151329.db2.gz SYNCKOVJFHKQJF-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1nc2ccccc2s1 ZINC000124740819 187151330 /nfs/dbraw/zinc/15/13/30/187151330.db2.gz SYNCKOVJFHKQJF-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125194143 187174115 /nfs/dbraw/zinc/17/41/15/187174115.db2.gz OXGVYKPJNNSHDU-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125194143 187174116 /nfs/dbraw/zinc/17/41/16/187174116.db2.gz OXGVYKPJNNSHDU-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000651721899 398275896 /nfs/dbraw/zinc/27/58/96/398275896.db2.gz WWLIXOPYFCEJJF-IIAWOOMASA-N 2 2 261.413 3.319 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc2c1CCC2 ZINC000651742556 398280185 /nfs/dbraw/zinc/28/01/85/398280185.db2.gz RPXMUVNSCSFFKJ-UHFFFAOYSA-N 2 2 266.388 3.211 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000337986819 214345310 /nfs/dbraw/zinc/34/53/10/214345310.db2.gz JCDFMJPQIFXROE-OWCLPIDISA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000337986819 214345312 /nfs/dbraw/zinc/34/53/12/214345312.db2.gz JCDFMJPQIFXROE-OWCLPIDISA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337989311 214346579 /nfs/dbraw/zinc/34/65/79/214346579.db2.gz QADJNGAXRJJRKP-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337989311 214346582 /nfs/dbraw/zinc/34/65/82/214346582.db2.gz QADJNGAXRJJRKP-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337995581 214350621 /nfs/dbraw/zinc/35/06/21/214350621.db2.gz NPPCPQHIDLMMDN-HZPDHXFCSA-N 2 2 273.424 3.442 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000651911532 398306456 /nfs/dbraw/zinc/30/64/56/398306456.db2.gz DPCPHRLWUDUXOV-QVHKTLOISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+]1C1CC1 ZINC000651911532 398306460 /nfs/dbraw/zinc/30/64/60/398306460.db2.gz DPCPHRLWUDUXOV-QVHKTLOISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1F ZINC000338015005 214362442 /nfs/dbraw/zinc/36/24/42/214362442.db2.gz UQIJEVCIFDIWIR-ZDUSSCGKSA-N 2 2 291.414 3.278 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437109072 529425160 /nfs/dbraw/zinc/42/51/60/529425160.db2.gz HFIIEDQLFFDEIT-QGZVFWFLSA-N 2 2 274.452 3.390 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423442896 529501321 /nfs/dbraw/zinc/50/13/21/529501321.db2.gz KGMGEASWPFXDBY-SRVKXCTJSA-N 2 2 260.381 3.382 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082582 346900036 /nfs/dbraw/zinc/90/00/36/346900036.db2.gz QRGXIYTYDHNMAL-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082582 346900038 /nfs/dbraw/zinc/90/00/38/346900038.db2.gz QRGXIYTYDHNMAL-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000423481069 529569300 /nfs/dbraw/zinc/56/93/00/529569300.db2.gz WOGKKYCCTPIFHN-BXKDBHETSA-N 2 2 258.768 3.257 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@@H]1C ZINC000414067069 529585250 /nfs/dbraw/zinc/58/52/50/529585250.db2.gz IPPGMPDOINKXND-QGTPRVQTSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354823378 282208593 /nfs/dbraw/zinc/20/85/93/282208593.db2.gz AOGVEPBTEMQAHL-STQMWFEESA-N 2 2 287.382 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354823378 282208595 /nfs/dbraw/zinc/20/85/95/282208595.db2.gz AOGVEPBTEMQAHL-STQMWFEESA-N 2 2 287.382 3.338 20 0 CGADLP FC(F)(F)c1cc(C[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000623336150 349780831 /nfs/dbraw/zinc/78/08/31/349780831.db2.gz YGFXJDZIDLJADH-UHFFFAOYSA-N 2 2 289.326 3.143 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423514306 529612167 /nfs/dbraw/zinc/61/21/67/529612167.db2.gz WFHAMCXPQRIXHF-ZWKOTPCHSA-N 2 2 272.436 3.417 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623356508 349787420 /nfs/dbraw/zinc/78/74/20/349787420.db2.gz UWDNPDFODICMTO-SECBINFHSA-N 2 2 289.326 3.142 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000368002802 529660933 /nfs/dbraw/zinc/66/09/33/529660933.db2.gz YJHDJFSLTFABHG-RISCZKNCSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1F ZINC000368002802 529660934 /nfs/dbraw/zinc/66/09/34/529660934.db2.gz YJHDJFSLTFABHG-RISCZKNCSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1F ZINC000368097877 529672855 /nfs/dbraw/zinc/67/28/55/529672855.db2.gz ACKFVRBGKIHDLW-FZMZJTMJSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1F ZINC000368097877 529672858 /nfs/dbraw/zinc/67/28/58/529672858.db2.gz ACKFVRBGKIHDLW-FZMZJTMJSA-N 2 2 273.355 3.147 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000358508956 529681422 /nfs/dbraw/zinc/68/14/22/529681422.db2.gz PNVYMSAFTMKVQQ-ZDUSSCGKSA-N 2 2 280.375 3.143 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623384019 349796368 /nfs/dbraw/zinc/79/63/68/349796368.db2.gz LPBUXIOGXMXTHL-SECBINFHSA-N 2 2 280.359 3.197 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CCC2)n1 ZINC000623391877 349796813 /nfs/dbraw/zinc/79/68/13/349796813.db2.gz IRCNDHWAWJCBKB-CYBMUJFWSA-N 2 2 293.480 3.293 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CCC2)n1 ZINC000623391877 349796815 /nfs/dbraw/zinc/79/68/15/349796815.db2.gz IRCNDHWAWJCBKB-CYBMUJFWSA-N 2 2 293.480 3.293 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426576 349806086 /nfs/dbraw/zinc/80/60/86/349806086.db2.gz RHKFREACPRELFT-RYUDHWBXSA-N 2 2 267.442 3.057 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426576 349806087 /nfs/dbraw/zinc/80/60/87/349806087.db2.gz RHKFREACPRELFT-RYUDHWBXSA-N 2 2 267.442 3.057 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368099943 529707571 /nfs/dbraw/zinc/70/75/71/529707571.db2.gz GVCAVMSBYNWJPG-MNOVXSKESA-N 2 2 275.421 3.242 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368099943 529707572 /nfs/dbraw/zinc/70/75/72/529707572.db2.gz GVCAVMSBYNWJPG-MNOVXSKESA-N 2 2 275.421 3.242 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431367 349808207 /nfs/dbraw/zinc/80/82/07/349808207.db2.gz BZWRMEOJJBMISE-UONOGXRCSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431367 349808209 /nfs/dbraw/zinc/80/82/09/349808209.db2.gz BZWRMEOJJBMISE-UONOGXRCSA-N 2 2 293.480 3.365 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450146 349812326 /nfs/dbraw/zinc/81/23/26/349812326.db2.gz WIQSWUQIJXVCHF-JSGCOSHPSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450146 349812329 /nfs/dbraw/zinc/81/23/29/349812329.db2.gz WIQSWUQIJXVCHF-JSGCOSHPSA-N 2 2 294.826 3.236 20 0 CGADLP CCC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OCC ZINC000623598421 349845279 /nfs/dbraw/zinc/84/52/79/349845279.db2.gz AUDMNSMAKUHHNS-AWEZNQCLSA-N 2 2 293.436 3.229 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000623655271 349856904 /nfs/dbraw/zinc/85/69/04/349856904.db2.gz SXMVWBSHCHHVCB-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000623655271 349856905 /nfs/dbraw/zinc/85/69/05/349856905.db2.gz SXMVWBSHCHHVCB-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128094264 187350759 /nfs/dbraw/zinc/35/07/59/187350759.db2.gz IBPOPAPYNSNIBF-JQHSSLGASA-N 2 2 290.451 3.084 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+](CC2CC2)C2CCCCC2)n1C ZINC000425322070 282318795 /nfs/dbraw/zinc/31/87/95/282318795.db2.gz GOLQWXRQGWIJNK-UHFFFAOYSA-N 2 2 290.455 3.031 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+](CC2CC2)C2CCCCC2)n1C ZINC000425322070 282318797 /nfs/dbraw/zinc/31/87/97/282318797.db2.gz GOLQWXRQGWIJNK-UHFFFAOYSA-N 2 2 290.455 3.031 20 0 CGADLP c1nc2c(s1)CCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000623859676 349898811 /nfs/dbraw/zinc/89/88/11/349898811.db2.gz WQEUYUUELUUPGT-CYBMUJFWSA-N 2 2 298.415 3.001 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCc2scnc21)C[NH+]1CCCCC1 ZINC000623867912 349900342 /nfs/dbraw/zinc/90/03/42/349900342.db2.gz NUVFHGDRYABRIU-KBPBESRZSA-N 2 2 293.480 3.232 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000623888771 349906694 /nfs/dbraw/zinc/90/66/94/349906694.db2.gz UFGGBVLXXXUBTI-KGLIPLIRSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000623888771 349906697 /nfs/dbraw/zinc/90/66/97/349906697.db2.gz UFGGBVLXXXUBTI-KGLIPLIRSA-N 2 2 281.469 3.223 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528869 530051477 /nfs/dbraw/zinc/05/14/77/530051477.db2.gz VJNWFZIHYXQKFU-HOTGVXAUSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528869 530051478 /nfs/dbraw/zinc/05/14/78/530051478.db2.gz VJNWFZIHYXQKFU-HOTGVXAUSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436285652 530057956 /nfs/dbraw/zinc/05/79/56/530057956.db2.gz FPYZTCFENGVZBK-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436285652 530057957 /nfs/dbraw/zinc/05/79/57/530057957.db2.gz FPYZTCFENGVZBK-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP CCc1cc(NCCC[N@H+](C)C2CCCCC2)nc[nH+]1 ZINC000040765174 344965625 /nfs/dbraw/zinc/96/56/25/344965625.db2.gz MAMITJIUOQYICI-UHFFFAOYSA-N 2 2 276.428 3.106 20 0 CGADLP CCc1cc(NCCC[N@@H+](C)C2CCCCC2)nc[nH+]1 ZINC000040765174 344965630 /nfs/dbraw/zinc/96/56/30/344965630.db2.gz MAMITJIUOQYICI-UHFFFAOYSA-N 2 2 276.428 3.106 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131485783 232192601 /nfs/dbraw/zinc/19/26/01/232192601.db2.gz QPCPSIMENPIUGY-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131485783 232192603 /nfs/dbraw/zinc/19/26/03/232192603.db2.gz QPCPSIMENPIUGY-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCCc2scnc21)C[NH+]1CCCC1 ZINC000623970699 349932416 /nfs/dbraw/zinc/93/24/16/349932416.db2.gz YVWPUDBMKPPICL-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907534 345751482 /nfs/dbraw/zinc/75/14/82/345751482.db2.gz DQAJHNJHIHVSHC-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907534 345751485 /nfs/dbraw/zinc/75/14/85/345751485.db2.gz DQAJHNJHIHVSHC-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1F ZINC000090847463 345796260 /nfs/dbraw/zinc/79/62/60/345796260.db2.gz DJIFTRSJMFMQKX-ZDUSSCGKSA-N 2 2 288.366 3.431 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccccn1 ZINC000090919756 345797770 /nfs/dbraw/zinc/79/77/70/345797770.db2.gz VOVDMSDPYQEYPA-ZDUSSCGKSA-N 2 2 287.382 3.133 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000092072442 345829765 /nfs/dbraw/zinc/82/97/65/345829765.db2.gz FTXZEZQSEKXQQK-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000092072442 345829766 /nfs/dbraw/zinc/82/97/66/345829766.db2.gz FTXZEZQSEKXQQK-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073103 345829837 /nfs/dbraw/zinc/82/98/37/345829837.db2.gz HOBVLZRPOLIMBP-GFCCVEGCSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073103 345829840 /nfs/dbraw/zinc/82/98/40/345829840.db2.gz HOBVLZRPOLIMBP-GFCCVEGCSA-N 2 2 261.394 3.159 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071307 345830175 /nfs/dbraw/zinc/83/01/75/345830175.db2.gz WXHAZQSLTDLDRE-JTQLQIEISA-N 2 2 265.744 3.036 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071307 345830180 /nfs/dbraw/zinc/83/01/80/345830180.db2.gz WXHAZQSLTDLDRE-JTQLQIEISA-N 2 2 265.744 3.036 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071316 345830792 /nfs/dbraw/zinc/83/07/92/345830792.db2.gz YMNHPZWMDAKHSI-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071316 345830795 /nfs/dbraw/zinc/83/07/95/345830795.db2.gz YMNHPZWMDAKHSI-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073752 345831096 /nfs/dbraw/zinc/83/10/96/345831096.db2.gz YKLIEUDGESDUFZ-JTQLQIEISA-N 2 2 295.308 3.207 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073752 345831100 /nfs/dbraw/zinc/83/11/00/345831100.db2.gz YKLIEUDGESDUFZ-JTQLQIEISA-N 2 2 295.308 3.207 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770664 345887343 /nfs/dbraw/zinc/88/73/43/345887343.db2.gz ZGKGRMIFGDTAJN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770664 345887347 /nfs/dbraw/zinc/88/73/47/345887347.db2.gz ZGKGRMIFGDTAJN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770664 345887352 /nfs/dbraw/zinc/88/73/52/345887352.db2.gz ZGKGRMIFGDTAJN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770664 345887357 /nfs/dbraw/zinc/88/73/57/345887357.db2.gz ZGKGRMIFGDTAJN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP COc1ccc2[nH+]c(N3CCC([NH2+]C(C)C)CC3)ccc2c1 ZINC000113247339 345960223 /nfs/dbraw/zinc/96/02/23/345960223.db2.gz VMPSFSLEBFJMPZ-UHFFFAOYSA-N 2 2 299.418 3.210 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527734 346012842 /nfs/dbraw/zinc/01/28/42/346012842.db2.gz YJQYIQKOPLUPLB-GXSJLCMTSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527734 346012846 /nfs/dbraw/zinc/01/28/46/346012846.db2.gz YJQYIQKOPLUPLB-GXSJLCMTSA-N 2 2 273.207 3.305 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141192 199368653 /nfs/dbraw/zinc/36/86/53/199368653.db2.gz ZNIUSADDGXIINQ-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141192 199368654 /nfs/dbraw/zinc/36/86/54/199368654.db2.gz ZNIUSADDGXIINQ-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141192 199368656 /nfs/dbraw/zinc/36/86/56/199368656.db2.gz ZNIUSADDGXIINQ-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141192 199368658 /nfs/dbraw/zinc/36/86/58/199368658.db2.gz ZNIUSADDGXIINQ-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000249630066 346382719 /nfs/dbraw/zinc/38/27/19/346382719.db2.gz UZTSHQKCSNWXLH-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000249630066 346382722 /nfs/dbraw/zinc/38/27/22/346382722.db2.gz UZTSHQKCSNWXLH-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251594075 346389521 /nfs/dbraw/zinc/38/95/21/346389521.db2.gz YFBLWCBLHXRZFI-UKRRQHHQSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251594075 346389524 /nfs/dbraw/zinc/38/95/24/346389524.db2.gz YFBLWCBLHXRZFI-UKRRQHHQSA-N 2 2 254.377 3.195 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000252452127 346391106 /nfs/dbraw/zinc/39/11/06/346391106.db2.gz QITSSRIQAITOSZ-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000252452127 346391108 /nfs/dbraw/zinc/39/11/08/346391108.db2.gz QITSSRIQAITOSZ-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252452080 346391133 /nfs/dbraw/zinc/39/11/33/346391133.db2.gz NIDVAOXPMKAWNG-HJPCAMOWSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252452080 346391135 /nfs/dbraw/zinc/39/11/35/346391135.db2.gz NIDVAOXPMKAWNG-HJPCAMOWSA-N 2 2 270.420 3.306 20 0 CGADLP CCOC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000624077937 349965099 /nfs/dbraw/zinc/96/50/99/349965099.db2.gz IAHHKLKFKMJVLG-IIIMJFFVSA-N 2 2 294.483 3.331 20 0 CGADLP CCOC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000624077937 349965102 /nfs/dbraw/zinc/96/51/02/349965102.db2.gz IAHHKLKFKMJVLG-IIIMJFFVSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130983 346572628 /nfs/dbraw/zinc/57/26/28/346572628.db2.gz FDGKNXXJBBZGBC-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130983 346572631 /nfs/dbraw/zinc/57/26/31/346572631.db2.gz FDGKNXXJBBZGBC-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1ccccc1 ZINC000397535669 346582868 /nfs/dbraw/zinc/58/28/68/346582868.db2.gz HRBWLWYPZPAZIW-UHFFFAOYSA-N 2 2 254.377 3.457 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400469828 346589380 /nfs/dbraw/zinc/58/93/80/346589380.db2.gz XHSQHXCGNCFXOQ-LZWOXQAQSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)ccc1F ZINC000584583498 346685033 /nfs/dbraw/zinc/68/50/33/346685033.db2.gz XREZXDHZDHZBBU-KBXCAEBGSA-N 2 2 299.393 3.455 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)ccc1F ZINC000584583498 346685038 /nfs/dbraw/zinc/68/50/38/346685038.db2.gz XREZXDHZDHZBBU-KBXCAEBGSA-N 2 2 299.393 3.455 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000495019189 302134904 /nfs/dbraw/zinc/13/49/04/302134904.db2.gz RDQCTVKKYNRQRG-KRWDZBQOSA-N 2 2 260.425 3.378 20 0 CGADLP CCCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000616026517 348782497 /nfs/dbraw/zinc/78/24/97/348782497.db2.gz VVMQPFTZGPTGSK-UHFFFAOYSA-N 2 2 271.408 3.406 20 0 CGADLP Cc1cccn2c(CNc3cc4c(c[nH+]3)CCC4)c[nH+]c12 ZINC000339558191 215243528 /nfs/dbraw/zinc/24/35/28/215243528.db2.gz XOWVCFYLQRHUIX-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000488557258 535099472 /nfs/dbraw/zinc/09/94/72/535099472.db2.gz JKRRFTNLPKKULU-ZIAGYGMSSA-N 2 2 293.480 3.393 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000359749561 233371268 /nfs/dbraw/zinc/37/12/68/233371268.db2.gz QOXWTAXKVJLNSZ-NWDGAFQWSA-N 2 2 272.845 3.364 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]1 ZINC000628146797 350410628 /nfs/dbraw/zinc/41/06/28/350410628.db2.gz AIANZEAPTHILKU-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]1 ZINC000628146797 350410631 /nfs/dbraw/zinc/41/06/31/350410631.db2.gz AIANZEAPTHILKU-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC(F)(F)C1 ZINC000628211673 350442327 /nfs/dbraw/zinc/44/23/27/350442327.db2.gz WOHDNXFOEMENCE-GFCCVEGCSA-N 2 2 283.366 3.297 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000628214021 350443083 /nfs/dbraw/zinc/44/30/83/350443083.db2.gz HXFMPQAGQUODCG-YJBOKZPZSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000628214021 350443089 /nfs/dbraw/zinc/44/30/89/350443089.db2.gz HXFMPQAGQUODCG-YJBOKZPZSA-N 2 2 272.436 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454833 350542176 /nfs/dbraw/zinc/54/21/76/350542176.db2.gz WPQQPSHQVPCDKJ-SMDDNHRTSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454833 350542179 /nfs/dbraw/zinc/54/21/79/350542179.db2.gz WPQQPSHQVPCDKJ-SMDDNHRTSA-N 2 2 272.383 3.027 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1C1CC1)Cc1ccc(F)cc1 ZINC000629259824 350674018 /nfs/dbraw/zinc/67/40/18/350674018.db2.gz XPAPBFIEXLZHGS-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1C1CC1)Cc1ccc(F)cc1 ZINC000629259824 350674021 /nfs/dbraw/zinc/67/40/21/350674021.db2.gz XPAPBFIEXLZHGS-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000629525757 350702411 /nfs/dbraw/zinc/70/24/11/350702411.db2.gz AXUJPXIAYNDRNF-RRFJBIMHSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000629546536 350709325 /nfs/dbraw/zinc/70/93/25/350709325.db2.gz JZHCJZOHKDRHMU-CJNGLKHVSA-N 2 2 275.440 3.073 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000629546536 350709327 /nfs/dbraw/zinc/70/93/27/350709327.db2.gz JZHCJZOHKDRHMU-CJNGLKHVSA-N 2 2 275.440 3.073 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[NH2+]1 ZINC000629395150 350688531 /nfs/dbraw/zinc/68/85/31/350688531.db2.gz AQPYSJPDAQUVGY-SKDRFNHKSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C[NH2+]1 ZINC000629414421 350690722 /nfs/dbraw/zinc/69/07/22/350690722.db2.gz ONDQHHSVOGEEGK-AAEUAGOBSA-N 2 2 289.810 3.118 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000631193005 350986679 /nfs/dbraw/zinc/98/66/79/350986679.db2.gz MFNGXZLGFXBCBG-ZDUSSCGKSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000631086533 350949561 /nfs/dbraw/zinc/94/95/61/350949561.db2.gz VOQRCYORKIGCBL-UHFFFAOYSA-N 2 2 292.333 3.006 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284974 351016438 /nfs/dbraw/zinc/01/64/38/351016438.db2.gz WFSKCFJOEBTADS-CABCVRRESA-N 2 2 282.378 3.299 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284974 351016440 /nfs/dbraw/zinc/01/64/40/351016440.db2.gz WFSKCFJOEBTADS-CABCVRRESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC(C)(C)[NH+](C)C ZINC000631561303 351067172 /nfs/dbraw/zinc/06/71/72/351067172.db2.gz MHYVGAHRQGVSTF-CQSZACIVSA-N 2 2 287.451 3.419 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992894 351619415 /nfs/dbraw/zinc/61/94/15/351619415.db2.gz FJJMYQKRBWYMJU-VEAWUBTESA-N 2 2 293.480 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992894 351619417 /nfs/dbraw/zinc/61/94/17/351619417.db2.gz FJJMYQKRBWYMJU-VEAWUBTESA-N 2 2 293.480 3.320 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1F ZINC000635009443 351627364 /nfs/dbraw/zinc/62/73/64/351627364.db2.gz NGCPTRWJVCLYPR-MLGOLLRUSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000336497281 213370752 /nfs/dbraw/zinc/37/07/52/213370752.db2.gz HOQLKXPMKRCCBO-LSDHHAIUSA-N 2 2 269.392 3.166 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCCCO ZINC000271511363 191184000 /nfs/dbraw/zinc/18/40/00/191184000.db2.gz FNDFBJJPVZLWBL-UHFFFAOYSA-N 2 2 292.467 3.039 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCCCO ZINC000271511363 191184002 /nfs/dbraw/zinc/18/40/02/191184002.db2.gz FNDFBJJPVZLWBL-UHFFFAOYSA-N 2 2 292.467 3.039 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCC4(CC4)CC3)cc2)c[nH+]1 ZINC000366627032 234180012 /nfs/dbraw/zinc/18/00/12/234180012.db2.gz CWDVTIAKOBPZNI-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP CC(C)c1cc(N[C@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000271638423 191253016 /nfs/dbraw/zinc/25/30/16/191253016.db2.gz PABQAPFNVOGYFC-CYBMUJFWSA-N 2 2 287.411 3.421 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438799 234215200 /nfs/dbraw/zinc/21/52/00/234215200.db2.gz PIDFUFWBMWAYKO-HIFRSBDPSA-N 2 2 279.403 3.227 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000367594953 234231332 /nfs/dbraw/zinc/23/13/32/234231332.db2.gz MRLJIXTYAYOTMZ-XCRHUMRWSA-N 2 2 298.434 3.068 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000152528215 188026016 /nfs/dbraw/zinc/02/60/16/188026016.db2.gz BNOPWKDRSJMCSP-GOEBONIOSA-N 2 2 269.392 3.420 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cnc2ccsc2c1 ZINC000154612280 188153378 /nfs/dbraw/zinc/15/33/78/188153378.db2.gz UKSWHJMARLYWLL-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cnc2ccsc2c1 ZINC000154612280 188153380 /nfs/dbraw/zinc/15/33/80/188153380.db2.gz UKSWHJMARLYWLL-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154625761 188154296 /nfs/dbraw/zinc/15/42/96/188154296.db2.gz VJXNARQQQOVKMW-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154625761 188154298 /nfs/dbraw/zinc/15/42/98/188154298.db2.gz VJXNARQQQOVKMW-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000369204982 234361238 /nfs/dbraw/zinc/36/12/38/234361238.db2.gz HMUJHQUDSJOKDX-CQSZACIVSA-N 2 2 295.496 3.206 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000369204982 234361239 /nfs/dbraw/zinc/36/12/39/234361239.db2.gz HMUJHQUDSJOKDX-CQSZACIVSA-N 2 2 295.496 3.206 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000156209243 188249313 /nfs/dbraw/zinc/24/93/13/188249313.db2.gz VBCLYXVELNZTAJ-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000156209243 188249314 /nfs/dbraw/zinc/24/93/14/188249314.db2.gz VBCLYXVELNZTAJ-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156486058 188264868 /nfs/dbraw/zinc/26/48/68/188264868.db2.gz PUKJTTMTQKJQIO-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156486058 188264870 /nfs/dbraw/zinc/26/48/70/188264870.db2.gz PUKJTTMTQKJQIO-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP COc1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156568640 188270157 /nfs/dbraw/zinc/27/01/57/188270157.db2.gz SRTZUBUMSYTZEE-YJBOKZPZSA-N 2 2 299.418 3.017 20 0 CGADLP COc1ccc(CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156568640 188270158 /nfs/dbraw/zinc/27/01/58/188270158.db2.gz SRTZUBUMSYTZEE-YJBOKZPZSA-N 2 2 299.418 3.017 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000158096679 188357031 /nfs/dbraw/zinc/35/70/31/188357031.db2.gz YIHNHCZYUJKRNH-CQSZACIVSA-N 2 2 264.413 3.359 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccccn1 ZINC000158982679 188402919 /nfs/dbraw/zinc/40/29/19/188402919.db2.gz NVFQYELFNLNPHS-OAHLLOKOSA-N 2 2 263.429 3.244 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCSC1 ZINC000271777928 191319791 /nfs/dbraw/zinc/31/97/91/191319791.db2.gz VINSTJIIZVZWTK-IAGOWNOFSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414112116 235338414 /nfs/dbraw/zinc/33/84/14/235338414.db2.gz JRVONMXGSDSMFI-WBOSRHFRSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414112116 235338416 /nfs/dbraw/zinc/33/84/16/235338416.db2.gz JRVONMXGSDSMFI-WBOSRHFRSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]1CSCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000336339626 213187257 /nfs/dbraw/zinc/18/72/57/213187257.db2.gz ZVVTYMOIOCNHHR-GFCCVEGCSA-N 2 2 293.461 3.119 20 0 CGADLP C[C@H]1CSCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000336339626 213187261 /nfs/dbraw/zinc/18/72/61/213187261.db2.gz ZVVTYMOIOCNHHR-GFCCVEGCSA-N 2 2 293.461 3.119 20 0 CGADLP Cc1[nH+]cccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000091495965 138344465 /nfs/dbraw/zinc/34/44/65/138344465.db2.gz IOOHLCITXUNEJU-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1[nH+]cccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000091495965 138344466 /nfs/dbraw/zinc/34/44/66/138344466.db2.gz IOOHLCITXUNEJU-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000423229406 236003027 /nfs/dbraw/zinc/00/30/27/236003027.db2.gz BEUYHRGMYQZPKJ-TVQRCGJNSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1F ZINC000423235093 236004396 /nfs/dbraw/zinc/00/43/96/236004396.db2.gz GGEKUBAGRVNCTC-BLLLJJGKSA-N 2 2 258.340 3.176 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)oc1C ZINC000423236047 236005417 /nfs/dbraw/zinc/00/54/17/236005417.db2.gz HEKLISAYFGPBGA-IUODEOHRSA-N 2 2 258.365 3.247 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247963 236008150 /nfs/dbraw/zinc/00/81/50/236008150.db2.gz QYCIMXDOLMEPEN-OLMNPRSZSA-N 2 2 284.403 3.052 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)oc1C ZINC000423262211 236012898 /nfs/dbraw/zinc/01/28/98/236012898.db2.gz MAOPCPSXSQKUPQ-DOMZBBRYSA-N 2 2 264.413 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423282529 236022871 /nfs/dbraw/zinc/02/28/71/236022871.db2.gz VITLYDCREXMASU-WFASDCNBSA-N 2 2 270.376 3.335 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423317265 236035418 /nfs/dbraw/zinc/03/54/18/236035418.db2.gz AORFCFDEEWNCSY-MRXNPFEDSA-N 2 2 296.430 3.129 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000423448159 236073442 /nfs/dbraw/zinc/07/34/42/236073442.db2.gz PVVGSMHXCAEBGD-RVKKMQEKSA-N 2 2 268.404 3.410 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])oc2cc1C ZINC000423450423 236074444 /nfs/dbraw/zinc/07/44/44/236074444.db2.gz SWKOLHWLGOBZPJ-UPJWGTAASA-N 2 2 260.381 3.436 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423556807 236098292 /nfs/dbraw/zinc/09/82/92/236098292.db2.gz MRDPDPFPPWMMJW-SMDDNHRTSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000424141236 236123727 /nfs/dbraw/zinc/12/37/27/236123727.db2.gz WYWKLOKULXAFEW-UHFFFAOYSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000424146059 236124282 /nfs/dbraw/zinc/12/42/82/236124282.db2.gz OVVSQTHAWRSRHX-AGUYFDCRSA-N 2 2 294.389 3.378 20 0 CGADLP Cc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000424146059 236124285 /nfs/dbraw/zinc/12/42/85/236124285.db2.gz OVVSQTHAWRSRHX-AGUYFDCRSA-N 2 2 294.389 3.378 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)ccn1 ZINC000424286786 236141917 /nfs/dbraw/zinc/14/19/17/236141917.db2.gz GVOIBBSVFWKSQK-HKUYNNGSSA-N 2 2 299.462 3.072 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccncc1C ZINC000294637725 199116686 /nfs/dbraw/zinc/11/66/86/199116686.db2.gz AVHSXPQYKONZTQ-UHFFFAOYSA-N 2 2 294.402 3.228 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1F ZINC000294823468 199199710 /nfs/dbraw/zinc/19/97/10/199199710.db2.gz MYSOHHNUFPYASI-CJNGLKHVSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1F ZINC000294823468 199199711 /nfs/dbraw/zinc/19/97/11/199199711.db2.gz MYSOHHNUFPYASI-CJNGLKHVSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000437776035 237343083 /nfs/dbraw/zinc/34/30/83/237343083.db2.gz OJVKYDXIVLIKFC-LAVFITLUSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000437776035 237343087 /nfs/dbraw/zinc/34/30/87/237343087.db2.gz OJVKYDXIVLIKFC-LAVFITLUSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCCCCOc2ccccc2)CCC[N@@H+]1C ZINC000437773351 237344929 /nfs/dbraw/zinc/34/49/29/237344929.db2.gz JDQJERYHSLXMRM-FUHWJXTLSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCCCCOc2ccccc2)CCC[N@H+]1C ZINC000437773351 237344938 /nfs/dbraw/zinc/34/49/38/237344938.db2.gz JDQJERYHSLXMRM-FUHWJXTLSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000297658000 200254170 /nfs/dbraw/zinc/25/41/70/200254170.db2.gz JISKZGRQQSNCRY-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000297658000 200254172 /nfs/dbraw/zinc/25/41/72/200254172.db2.gz JISKZGRQQSNCRY-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cn[nH]c2)[NH+]2CCCC2)cc1 ZINC000297883476 200298830 /nfs/dbraw/zinc/29/88/30/200298830.db2.gz VENNFLYBAMDZEJ-QAPCUYQASA-N 2 2 298.434 3.206 20 0 CGADLP Cn1cccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119332167 370666819 /nfs/dbraw/zinc/66/68/19/370666819.db2.gz FBRAAMZIOJXKRX-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP Cn1cccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119332167 370666829 /nfs/dbraw/zinc/66/68/29/370666829.db2.gz FBRAAMZIOJXKRX-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833138 216121742 /nfs/dbraw/zinc/12/17/42/216121742.db2.gz DKBRYKVSBOAUAM-SFHVURJKSA-N 2 2 290.451 3.008 20 0 CGADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833138 216121744 /nfs/dbraw/zinc/12/17/44/216121744.db2.gz DKBRYKVSBOAUAM-SFHVURJKSA-N 2 2 290.451 3.008 20 0 CGADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833138 216121746 /nfs/dbraw/zinc/12/17/46/216121746.db2.gz DKBRYKVSBOAUAM-SFHVURJKSA-N 2 2 290.451 3.008 20 0 CGADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833138 216121749 /nfs/dbraw/zinc/12/17/49/216121749.db2.gz DKBRYKVSBOAUAM-SFHVURJKSA-N 2 2 290.451 3.008 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176992166 189019409 /nfs/dbraw/zinc/01/94/09/189019409.db2.gz KNLYIXIOFRAAFD-UHFFFAOYSA-N 2 2 262.397 3.085 20 0 CGADLP CC[C@H](C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177370342 189046840 /nfs/dbraw/zinc/04/68/40/189046840.db2.gz GPRLCTPAIIESIY-AWEZNQCLSA-N 2 2 272.396 3.135 20 0 CGADLP CC[C@H](C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177370342 189046841 /nfs/dbraw/zinc/04/68/41/189046841.db2.gz GPRLCTPAIIESIY-AWEZNQCLSA-N 2 2 272.396 3.135 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423381123 283562771 /nfs/dbraw/zinc/56/27/71/283562771.db2.gz HSAKUCZXDBNWBO-GDBMZVCRSA-N 2 2 275.440 3.291 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178264044 189101318 /nfs/dbraw/zinc/10/13/18/189101318.db2.gz PKVHNDUUSNXYEI-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178264044 189101319 /nfs/dbraw/zinc/10/13/19/189101319.db2.gz PKVHNDUUSNXYEI-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000179354907 189188384 /nfs/dbraw/zinc/18/83/84/189188384.db2.gz PZEFEYXOHSTSGQ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000179354907 189188385 /nfs/dbraw/zinc/18/83/85/189188385.db2.gz PZEFEYXOHSTSGQ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000179354907 189188386 /nfs/dbraw/zinc/18/83/86/189188386.db2.gz PZEFEYXOHSTSGQ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000179354907 189188387 /nfs/dbraw/zinc/18/83/87/189188387.db2.gz PZEFEYXOHSTSGQ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP c1cc2cc(CC[NH2+]Cc3cccc4[nH+]ccn43)ccc2[nH]1 ZINC000441221170 238383394 /nfs/dbraw/zinc/38/33/94/238383394.db2.gz VWBMEUFGGHRJMM-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180196163 189242803 /nfs/dbraw/zinc/24/28/03/189242803.db2.gz CYQXAZWHPMGLCS-CZUORRHYSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180196163 189242804 /nfs/dbraw/zinc/24/28/04/189242804.db2.gz CYQXAZWHPMGLCS-CZUORRHYSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000180196163 189242805 /nfs/dbraw/zinc/24/28/05/189242805.db2.gz CYQXAZWHPMGLCS-CZUORRHYSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000180196163 189242806 /nfs/dbraw/zinc/24/28/06/189242806.db2.gz CYQXAZWHPMGLCS-CZUORRHYSA-N 2 2 264.388 3.049 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000180405010 189253475 /nfs/dbraw/zinc/25/34/75/189253475.db2.gz FCSPBAAMFULCIU-CYBMUJFWSA-N 2 2 264.413 3.365 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000443214450 238516507 /nfs/dbraw/zinc/51/65/07/238516507.db2.gz KWUKXHDEOKDSOJ-RYRKJORJSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1nc(NC[C@@H](c2cccs2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301446829 201012185 /nfs/dbraw/zinc/01/21/85/201012185.db2.gz QGOWPDCAAZAFHN-ZDUSSCGKSA-N 2 2 290.436 3.178 20 0 CGADLP CC(C)=CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182188424 189316890 /nfs/dbraw/zinc/31/68/90/189316890.db2.gz PRZVZDZSABSLHN-AWEZNQCLSA-N 2 2 255.365 3.489 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301578144 201077992 /nfs/dbraw/zinc/07/79/92/201077992.db2.gz MVDBMXDVWXWMTQ-ZIAGYGMSSA-N 2 2 276.428 3.193 20 0 CGADLP COc1cccc(CCC[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000342389780 216335603 /nfs/dbraw/zinc/33/56/03/216335603.db2.gz PBLKEUGELGTHLW-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP COc1cccc(CCC[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000342389780 216335605 /nfs/dbraw/zinc/33/56/05/216335605.db2.gz PBLKEUGELGTHLW-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP CCc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(C)[nH+]1 ZINC000302029621 201309336 /nfs/dbraw/zinc/30/93/36/201309336.db2.gz BIOINRUQZBNOMS-UHFFFAOYSA-N 2 2 293.374 3.145 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1cccc(C)c1 ZINC000449038734 239137472 /nfs/dbraw/zinc/13/74/72/239137472.db2.gz WXATYBMOMXFKAK-GOSISDBHSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1cccc(C)c1 ZINC000449038734 239137478 /nfs/dbraw/zinc/13/74/78/239137478.db2.gz WXATYBMOMXFKAK-GOSISDBHSA-N 2 2 283.419 3.207 20 0 CGADLP COCC1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000449061919 239152048 /nfs/dbraw/zinc/15/20/48/239152048.db2.gz XCFQQEUFXPFVJL-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(C)c1)CCC2 ZINC000449168893 239218365 /nfs/dbraw/zinc/21/83/65/239218365.db2.gz NHWPPXKLESNKGR-AWEZNQCLSA-N 2 2 275.421 3.229 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194845 239238081 /nfs/dbraw/zinc/23/80/81/239238081.db2.gz PPYQEKDVQGKIFU-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194845 239238085 /nfs/dbraw/zinc/23/80/85/239238085.db2.gz PPYQEKDVQGKIFU-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP c1c(CC[NH2+][C@H]2CCCC23CCC3)[nH+]c2ccccn12 ZINC000449224069 239254096 /nfs/dbraw/zinc/25/40/96/239254096.db2.gz ZNPPASNMCBLPNP-HNNXBMFYSA-N 2 2 269.392 3.189 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000119677379 370698339 /nfs/dbraw/zinc/69/83/39/370698339.db2.gz MFVUGCKNADLOSQ-SNVBAGLBSA-N 2 2 298.352 3.381 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120236641 370751745 /nfs/dbraw/zinc/75/17/45/370751745.db2.gz PDYZPSGZQDUNJY-ZGRYLRDCSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000120236641 370751748 /nfs/dbraw/zinc/75/17/48/370751748.db2.gz PDYZPSGZQDUNJY-ZGRYLRDCSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1[nH]c2ccc(Cn3c[nH+]c4c3C[C@@H](C)[C@H](C)C4)cc2[nH+]1 ZINC000450994220 240186590 /nfs/dbraw/zinc/18/65/90/240186590.db2.gz BQCBTGKYBTVKNP-VXGBXAGGSA-N 2 2 294.402 3.487 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000120679988 370791413 /nfs/dbraw/zinc/79/14/13/370791413.db2.gz RYVKPYPKGAIHJW-MRXNPFEDSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000120679988 370791419 /nfs/dbraw/zinc/79/14/19/370791419.db2.gz RYVKPYPKGAIHJW-MRXNPFEDSA-N 2 2 294.389 3.415 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncs1 ZINC000120765689 370797498 /nfs/dbraw/zinc/79/74/98/370797498.db2.gz SCOLWOCQZQRGOP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncs1 ZINC000120765689 370797506 /nfs/dbraw/zinc/79/75/06/370797506.db2.gz SCOLWOCQZQRGOP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000335546646 212246134 /nfs/dbraw/zinc/24/61/34/212246134.db2.gz QLBKHVPUSMVYET-UHFFFAOYSA-N 2 2 279.453 3.326 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000335546646 212246137 /nfs/dbraw/zinc/24/61/37/212246137.db2.gz QLBKHVPUSMVYET-UHFFFAOYSA-N 2 2 279.453 3.326 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000422718904 283935252 /nfs/dbraw/zinc/93/52/52/283935252.db2.gz XZZRWVCUCDDRSS-XIRDDKMYSA-N 2 2 282.472 3.092 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459551452 242130128 /nfs/dbraw/zinc/13/01/28/242130128.db2.gz NZGJGQFIONPZAI-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459551452 242130134 /nfs/dbraw/zinc/13/01/34/242130134.db2.gz NZGJGQFIONPZAI-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000459654359 242164178 /nfs/dbraw/zinc/16/41/78/242164178.db2.gz FIZRFPSFJKBRMW-UHFFFAOYSA-N 2 2 299.418 3.074 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000459660912 242167440 /nfs/dbraw/zinc/16/74/40/242167440.db2.gz MAYCMATTZBMUOL-UHFFFAOYSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)CC1CCCCC1 ZINC000459663500 242169911 /nfs/dbraw/zinc/16/99/11/242169911.db2.gz OWXDEHVZODGDLA-CQSZACIVSA-N 2 2 263.429 3.159 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000480772158 243165910 /nfs/dbraw/zinc/16/59/10/243165910.db2.gz PVROXTUHJALWMZ-FVQBIDKESA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000480772158 243165914 /nfs/dbraw/zinc/16/59/14/243165914.db2.gz PVROXTUHJALWMZ-FVQBIDKESA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000480772160 243166214 /nfs/dbraw/zinc/16/62/14/243166214.db2.gz PVROXTUHJALWMZ-VNQPRFMTSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000480772160 243166216 /nfs/dbraw/zinc/16/62/16/243166216.db2.gz PVROXTUHJALWMZ-VNQPRFMTSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000480087835 243137958 /nfs/dbraw/zinc/13/79/58/243137958.db2.gz DLSIAZWROZYZRD-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000480087835 243137962 /nfs/dbraw/zinc/13/79/62/243137962.db2.gz DLSIAZWROZYZRD-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000482164634 243217811 /nfs/dbraw/zinc/21/78/11/243217811.db2.gz PDSDSGNVKXRTTA-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000482164634 243217816 /nfs/dbraw/zinc/21/78/16/243217816.db2.gz PDSDSGNVKXRTTA-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000482164634 243217818 /nfs/dbraw/zinc/21/78/18/243217818.db2.gz PDSDSGNVKXRTTA-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000482164634 243217821 /nfs/dbraw/zinc/21/78/21/243217821.db2.gz PDSDSGNVKXRTTA-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810792 243208690 /nfs/dbraw/zinc/20/86/90/243208690.db2.gz ANYVJRVOQJFTEY-NZTRGOHKSA-N 2 2 296.817 3.207 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810792 243208694 /nfs/dbraw/zinc/20/86/94/243208694.db2.gz ANYVJRVOQJFTEY-NZTRGOHKSA-N 2 2 296.817 3.207 20 0 CGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000482250464 243221916 /nfs/dbraw/zinc/22/19/16/243221916.db2.gz ZWZPUJDUPNSDDA-DLBZAZTESA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)CCC=C(C)C)C1 ZINC000482250464 243221918 /nfs/dbraw/zinc/22/19/18/243221918.db2.gz ZWZPUJDUPNSDDA-DLBZAZTESA-N 2 2 282.472 3.069 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)[C@@H](C)C1 ZINC000482440415 243224788 /nfs/dbraw/zinc/22/47/88/243224788.db2.gz QKZQTLPOHMOMGA-WBAXXEDZSA-N 2 2 272.436 3.458 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)[C@@H](C)C1 ZINC000482440415 243224796 /nfs/dbraw/zinc/22/47/96/243224796.db2.gz QKZQTLPOHMOMGA-WBAXXEDZSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000482507826 243229019 /nfs/dbraw/zinc/22/90/19/243229019.db2.gz IMGGEHDNUBIICK-RDJZCZTQSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000482507824 243229891 /nfs/dbraw/zinc/22/98/91/243229891.db2.gz IMGGEHDNUBIICK-NVXWUHKLSA-N 2 2 262.441 3.184 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1C ZINC000484469071 243313450 /nfs/dbraw/zinc/31/34/50/243313450.db2.gz CRNQBOUJFRNJFX-RDJZCZTQSA-N 2 2 292.492 3.391 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484467507 243313842 /nfs/dbraw/zinc/31/38/42/243313842.db2.gz ACZVOFQBFIQGNY-WMLDXEAASA-N 2 2 292.492 3.337 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809587 243373288 /nfs/dbraw/zinc/37/32/88/243373288.db2.gz GEBFZQBAEIVANT-DOTOQJQBSA-N 2 2 290.451 3.002 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809587 243373291 /nfs/dbraw/zinc/37/32/91/243373291.db2.gz GEBFZQBAEIVANT-DOTOQJQBSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C ZINC000479864203 296127274 /nfs/dbraw/zinc/12/72/74/296127274.db2.gz IHTAWDSGJYNYGO-GDBMZVCRSA-N 2 2 262.441 3.184 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000020189885 368805966 /nfs/dbraw/zinc/80/59/66/368805966.db2.gz QKLWQAYNBFVNQX-LBPRGKRZSA-N 2 2 282.378 3.490 20 0 CGADLP C[NH+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019958463 368788843 /nfs/dbraw/zinc/78/88/43/368788843.db2.gz GZEOKXZWFXAGDJ-GOSISDBHSA-N 2 2 286.394 3.456 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019960556 368790500 /nfs/dbraw/zinc/79/05/00/368790500.db2.gz UYPUBZRBHNDYKR-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019960556 368790504 /nfs/dbraw/zinc/79/05/04/368790504.db2.gz UYPUBZRBHNDYKR-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000037157045 369072804 /nfs/dbraw/zinc/07/28/04/369072804.db2.gz GMFTXHKFXDYMIS-NEPJUHHUSA-N 2 2 295.333 3.224 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157352 369073089 /nfs/dbraw/zinc/07/30/89/369073089.db2.gz QKCYAUIXTAOQSO-ZIAGYGMSSA-N 2 2 273.380 3.021 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccc(Cl)o2)CC(C)(C)[NH2+]1 ZINC000037486977 369086432 /nfs/dbraw/zinc/08/64/32/369086432.db2.gz HKAJKTJEIHALKA-UHFFFAOYSA-N 2 2 270.804 3.332 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423378538 296134177 /nfs/dbraw/zinc/13/41/77/296134177.db2.gz GBPZRCXFWKMWNS-DGCLKSJQSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)o1)C[NH+]1CCCCC1 ZINC000037997588 369135786 /nfs/dbraw/zinc/13/57/86/369135786.db2.gz HMLAQSRRCARPRT-LBPRGKRZSA-N 2 2 270.804 3.145 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041119751 369176085 /nfs/dbraw/zinc/17/60/85/369176085.db2.gz ORMSMHYHIIPUJI-NSHDSACASA-N 2 2 292.452 3.296 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684686 369265098 /nfs/dbraw/zinc/26/50/98/369265098.db2.gz YPBURIAKEKOWKS-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684686 369265101 /nfs/dbraw/zinc/26/51/01/369265101.db2.gz YPBURIAKEKOWKS-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269261 244278279 /nfs/dbraw/zinc/27/82/79/244278279.db2.gz WNJOOLSKEQRWOX-YOEHRIQHSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269261 244278283 /nfs/dbraw/zinc/27/82/83/244278283.db2.gz WNJOOLSKEQRWOX-YOEHRIQHSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000494632972 244307022 /nfs/dbraw/zinc/30/70/22/244307022.db2.gz NDQUXQAMICFODR-YEWWUXTCSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000494632972 244307025 /nfs/dbraw/zinc/30/70/25/244307025.db2.gz NDQUXQAMICFODR-YEWWUXTCSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000045663829 369283879 /nfs/dbraw/zinc/28/38/79/369283879.db2.gz IAAPKTZHUPGSGJ-NSHDSACASA-N 2 2 272.795 3.472 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CCCC[NH+](C)C)C1 ZINC000045663914 369283912 /nfs/dbraw/zinc/28/39/12/369283912.db2.gz BCBDFBVOFBNBME-UHFFFAOYSA-N 2 2 260.425 3.172 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000226339540 189773142 /nfs/dbraw/zinc/77/31/42/189773142.db2.gz UIAHUDNIKATGDU-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000226339540 189773143 /nfs/dbraw/zinc/77/31/43/189773143.db2.gz UIAHUDNIKATGDU-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CCC[N@H+](Cc1csc(C(C)C)n1)C1CC[NH2+]CC1 ZINC000049277383 369394752 /nfs/dbraw/zinc/39/47/52/369394752.db2.gz IMZQZJMNHSWIHV-UHFFFAOYSA-N 2 2 281.469 3.231 20 0 CGADLP CCC[N@@H+](Cc1csc(C(C)C)n1)C1CC[NH2+]CC1 ZINC000049277383 369394754 /nfs/dbraw/zinc/39/47/54/369394754.db2.gz IMZQZJMNHSWIHV-UHFFFAOYSA-N 2 2 281.469 3.231 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000049592553 369412680 /nfs/dbraw/zinc/41/26/80/369412680.db2.gz USNYBFPYUUNPDU-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000049592553 369412684 /nfs/dbraw/zinc/41/26/84/369412684.db2.gz USNYBFPYUUNPDU-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000051724608 369453399 /nfs/dbraw/zinc/45/33/99/369453399.db2.gz NFRRYEHZZHAIFU-AWEZNQCLSA-N 2 2 264.413 3.054 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000051721342 369453661 /nfs/dbraw/zinc/45/36/61/369453661.db2.gz BKWBISIDUKPVPO-CQSZACIVSA-N 2 2 264.413 3.196 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)o1 ZINC000051721342 369453665 /nfs/dbraw/zinc/45/36/65/369453665.db2.gz BKWBISIDUKPVPO-CQSZACIVSA-N 2 2 264.413 3.196 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952987 369457721 /nfs/dbraw/zinc/45/77/21/369457721.db2.gz AOYNORCWTGQUHW-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290251674 299407907 /nfs/dbraw/zinc/40/79/07/299407907.db2.gz UHXVGFUVDPJRJQ-KBXCAEBGSA-N 2 2 299.418 3.074 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000067500448 369719101 /nfs/dbraw/zinc/71/91/01/369719101.db2.gz LLNNAROJOIUJJL-HNNXBMFYSA-N 2 2 287.407 3.096 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000072744296 369836132 /nfs/dbraw/zinc/83/61/32/369836132.db2.gz DGHKMERSYVTRME-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP CSCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000070185868 369787938 /nfs/dbraw/zinc/78/79/38/369787938.db2.gz HBFCVLVLQRMOPZ-CYBMUJFWSA-N 2 2 275.421 3.276 20 0 CGADLP COc1c(C)c[nH+]c(Cn2cc[nH+]c2C(C)C)c1C ZINC000070423075 369799183 /nfs/dbraw/zinc/79/91/83/369799183.db2.gz PWGZNPJHYZZPCV-UHFFFAOYSA-N 2 2 259.353 3.075 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000400718494 296151389 /nfs/dbraw/zinc/15/13/89/296151389.db2.gz NVJYLIALBJWBFO-MISXGVKJSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000177195331 296153182 /nfs/dbraw/zinc/15/31/82/296153182.db2.gz CQPTZOBJYVACQS-PBHICJAKSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928943 370257137 /nfs/dbraw/zinc/25/71/37/370257137.db2.gz TUULBVVSRQULGQ-ZIAGYGMSSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+](CCNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000112553874 370434611 /nfs/dbraw/zinc/43/46/11/370434611.db2.gz QFPSFOFFJLKUHI-UHFFFAOYSA-N 2 2 274.412 3.030 20 0 CGADLP C[N@@H+](CCNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000112553874 370434615 /nfs/dbraw/zinc/43/46/15/370434615.db2.gz QFPSFOFFJLKUHI-UHFFFAOYSA-N 2 2 274.412 3.030 20 0 CGADLP CCC(C)(C)CC[N@@H+]1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512221559 245025851 /nfs/dbraw/zinc/02/58/51/245025851.db2.gz ZBGLZOFGDPNIQF-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512221559 245025857 /nfs/dbraw/zinc/02/58/57/245025857.db2.gz ZBGLZOFGDPNIQF-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[C@@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000513067562 245061451 /nfs/dbraw/zinc/06/14/51/245061451.db2.gz FQFMNJUJCMCIBF-JKSUJKDBSA-N 2 2 298.434 3.377 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cn1 ZINC000423268211 296159447 /nfs/dbraw/zinc/15/94/47/296159447.db2.gz ULFUYGOEWQZCKD-IAQYHMDHSA-N 2 2 281.831 3.293 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513205 370475713 /nfs/dbraw/zinc/47/57/13/370475713.db2.gz MTNIZKOOGXFDRZ-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513205 370475718 /nfs/dbraw/zinc/47/57/18/370475718.db2.gz MTNIZKOOGXFDRZ-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755190 370511420 /nfs/dbraw/zinc/51/14/20/370511420.db2.gz QUARRSZTCDLTEE-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755190 370511427 /nfs/dbraw/zinc/51/14/27/370511427.db2.gz QUARRSZTCDLTEE-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000130598690 371045492 /nfs/dbraw/zinc/04/54/92/371045492.db2.gz PEYUJEKQODIDTL-LBPRGKRZSA-N 2 2 271.389 3.289 20 0 CGADLP CC(C)(C)[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000131729292 371126417 /nfs/dbraw/zinc/12/64/17/371126417.db2.gz UNEDKBAURJQYEU-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP CC(C)(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000131729292 371126425 /nfs/dbraw/zinc/12/64/25/371126425.db2.gz UNEDKBAURJQYEU-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP CC[C@H]1C[C@]1([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C)c1 ZINC000337301462 376203112 /nfs/dbraw/zinc/20/31/12/376203112.db2.gz PTMNJPHCESSHDU-XJKSGUPXSA-N 2 2 255.365 3.133 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256312 371161873 /nfs/dbraw/zinc/16/18/73/371161873.db2.gz XKTKCNYGQLAVNW-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256312 371161877 /nfs/dbraw/zinc/16/18/77/371161877.db2.gz XKTKCNYGQLAVNW-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133983670 371294134 /nfs/dbraw/zinc/29/41/34/371294134.db2.gz SLAXRWCDIHTSPF-DOTOQJQBSA-N 2 2 296.418 3.349 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000133591319 371265462 /nfs/dbraw/zinc/26/54/62/371265462.db2.gz SOBLZPRIGYKICK-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000144749914 371516105 /nfs/dbraw/zinc/51/61/05/371516105.db2.gz UPALRHPUQSTQSM-LLVKDONJSA-N 2 2 281.762 3.417 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336810908 213677206 /nfs/dbraw/zinc/67/72/06/213677206.db2.gz JZIWGFARIJWRGV-WWGRRREGSA-N 2 2 255.365 3.321 20 0 CGADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000151113625 371570697 /nfs/dbraw/zinc/57/06/97/371570697.db2.gz JXATVXUORWLGAB-KRWDZBQOSA-N 2 2 287.407 3.413 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151149637 371575944 /nfs/dbraw/zinc/57/59/44/371575944.db2.gz UGZKMCNXLNEACS-QGZVFWFLSA-N 2 2 299.418 3.394 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(F)c(F)c1 ZINC000152153806 371678166 /nfs/dbraw/zinc/67/81/66/371678166.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(F)c(F)c1 ZINC000152153806 371678173 /nfs/dbraw/zinc/67/81/73/371678173.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000152153806 371678179 /nfs/dbraw/zinc/67/81/79/371678179.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(F)c(F)c1 ZINC000152153806 371678183 /nfs/dbraw/zinc/67/81/83/371678183.db2.gz APUNENKTVUCTPC-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000421821861 371642426 /nfs/dbraw/zinc/64/24/26/371642426.db2.gz UMQOQJAENZHTKR-NEPJUHHUSA-N 2 2 295.789 3.285 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCC1 ZINC000421839521 371662487 /nfs/dbraw/zinc/66/24/87/371662487.db2.gz XIYBVCNRADXKFV-CABCVRRESA-N 2 2 291.439 3.006 20 0 CGADLP C[C@H]([NH2+]CCCC1(O)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421860723 371683773 /nfs/dbraw/zinc/68/37/73/371683773.db2.gz SMAYYTRRYHWBOQ-HNNXBMFYSA-N 2 2 299.418 3.218 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)F)c2ccccc2)CC[N@@H+]1C ZINC000421893703 371700505 /nfs/dbraw/zinc/70/05/05/371700505.db2.gz ZURQVXCEESJGGK-YUELXQCFSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)F)c2ccccc2)CC[N@H+]1C ZINC000421893703 371700513 /nfs/dbraw/zinc/70/05/13/371700513.db2.gz ZURQVXCEESJGGK-YUELXQCFSA-N 2 2 282.378 3.455 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000337348630 214023449 /nfs/dbraw/zinc/02/34/49/214023449.db2.gz ZFTVRSXUYGDWDP-SOLBZPMBSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000337348630 214023451 /nfs/dbraw/zinc/02/34/51/214023451.db2.gz ZFTVRSXUYGDWDP-SOLBZPMBSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1sc(C[NH2+][C@H](C)c2c[nH+]ccc2N)nc1C(C)C ZINC000422703292 371759571 /nfs/dbraw/zinc/75/95/71/371759571.db2.gz HMQQATMDCZAWFP-SNVBAGLBSA-N 2 2 290.436 3.233 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422721002 371767660 /nfs/dbraw/zinc/76/76/60/371767660.db2.gz NDEJPEUWSMNHNV-QWHCGFSZSA-N 2 2 291.420 3.153 20 0 CGADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422721351 371768478 /nfs/dbraw/zinc/76/84/78/371768478.db2.gz VDNCQXKEZMJIRT-GXTWGEPZSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1c[nH+]ccc1N ZINC000422761408 371788919 /nfs/dbraw/zinc/78/89/19/371788919.db2.gz HQFNDVJANZBIIC-ZDUSSCGKSA-N 2 2 297.402 3.134 20 0 CGADLP CC[C@H](C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422779429 371802054 /nfs/dbraw/zinc/80/20/54/371802054.db2.gz IRZVBDAAKGNHCR-TUKIKUTGSA-N 2 2 266.816 3.379 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422786179 371808025 /nfs/dbraw/zinc/80/80/25/371808025.db2.gz SHZVODZWJYMZBP-KBPBESRZSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422871169 371846182 /nfs/dbraw/zinc/84/61/82/371846182.db2.gz CPPOTMPERYVMHM-KBPBESRZSA-N 2 2 298.377 3.346 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000154540352 371854530 /nfs/dbraw/zinc/85/45/30/371854530.db2.gz ZGJJHWNWTAYAJC-QWHCGFSZSA-N 2 2 298.377 3.341 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000154540352 371854539 /nfs/dbraw/zinc/85/45/39/371854539.db2.gz ZGJJHWNWTAYAJC-QWHCGFSZSA-N 2 2 298.377 3.341 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000344061647 217032348 /nfs/dbraw/zinc/03/23/48/217032348.db2.gz AQDWTZQIQYRIEC-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422841443 371837019 /nfs/dbraw/zinc/83/70/19/371837019.db2.gz DAVXQLBAAVZBHR-PBHICJAKSA-N 2 2 297.402 3.104 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423060494 371941334 /nfs/dbraw/zinc/94/13/34/371941334.db2.gz OPGGGWLBKBLXGJ-XJKSGUPXSA-N 2 2 278.465 3.170 20 0 CGADLP CCCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000290095094 371900976 /nfs/dbraw/zinc/90/09/76/371900976.db2.gz ZVIACGZSGFVTPF-CQSZACIVSA-N 2 2 272.396 3.278 20 0 CGADLP CCCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000290095094 371900984 /nfs/dbraw/zinc/90/09/84/371900984.db2.gz ZVIACGZSGFVTPF-CQSZACIVSA-N 2 2 272.396 3.278 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423008207 371912830 /nfs/dbraw/zinc/91/28/30/371912830.db2.gz SSWLMFKFRHNVQC-MGHWNKPDSA-N 2 2 288.435 3.152 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000290134291 371913265 /nfs/dbraw/zinc/91/32/65/371913265.db2.gz VHTWSNQKXJPOQN-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290134291 371913267 /nfs/dbraw/zinc/91/32/67/371913267.db2.gz VHTWSNQKXJPOQN-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP COC(C)(C)C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290305548 371959771 /nfs/dbraw/zinc/95/97/71/371959771.db2.gz IGRUQERQUPCHKV-AWEZNQCLSA-N 2 2 264.413 3.116 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2sccc2c1)[C@H]1CCC[NH2+]1 ZINC000423122906 371975990 /nfs/dbraw/zinc/97/59/90/371975990.db2.gz LNFDQEJQXNQNBS-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000423122777 371976134 /nfs/dbraw/zinc/97/61/34/371976134.db2.gz CXJMKXPNXSAIHV-SJCJKPOMSA-N 2 2 276.399 3.323 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423143405 371989135 /nfs/dbraw/zinc/98/91/35/371989135.db2.gz CZINEXUTLAJWGA-GJZGRUSLSA-N 2 2 298.377 3.123 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423069765 371945422 /nfs/dbraw/zinc/94/54/22/371945422.db2.gz MALVNNTXGYWMAG-WMLDXEAASA-N 2 2 276.424 3.014 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000155864774 371950638 /nfs/dbraw/zinc/95/06/38/371950638.db2.gz MHHOFLMZLRKGTM-CABCVRRESA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000155864774 371950647 /nfs/dbraw/zinc/95/06/47/371950647.db2.gz MHHOFLMZLRKGTM-CABCVRRESA-N 2 2 290.451 3.261 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423086113 371953939 /nfs/dbraw/zinc/95/39/39/371953939.db2.gz MKKYKTMYIYETNH-ULQDDVLXSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423189089 372014775 /nfs/dbraw/zinc/01/47/75/372014775.db2.gz MFSARDJXZZVOOK-AVGNSLFASA-N 2 2 289.448 3.130 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423189085 372015134 /nfs/dbraw/zinc/01/51/34/372015134.db2.gz MEVJYUOSSGDTNU-GUYCJALGSA-N 2 2 254.377 3.242 20 0 CGADLP Cc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000157324897 372015915 /nfs/dbraw/zinc/01/59/15/372015915.db2.gz JWFVZHKVAAJRFG-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP Cc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccc(C)o2)o1 ZINC000157324897 372015923 /nfs/dbraw/zinc/01/59/23/372015923.db2.gz JWFVZHKVAAJRFG-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)cn1 ZINC000423199154 372022763 /nfs/dbraw/zinc/02/27/63/372022763.db2.gz JHPIZJXKXQSCOX-LBPRGKRZSA-N 2 2 281.831 3.437 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C3)cs2)cs1 ZINC000423199486 372025430 /nfs/dbraw/zinc/02/54/30/372025430.db2.gz BQNFEIHOLCHLHS-JOYOIKCWSA-N 2 2 293.461 3.193 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000423299170 372050094 /nfs/dbraw/zinc/05/00/94/372050094.db2.gz PNUCVGMXJMRJGF-TZMCWYRMSA-N 2 2 281.419 3.060 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCC1 ZINC000423339916 372053710 /nfs/dbraw/zinc/05/37/10/372053710.db2.gz XCSCUIDPCCDMLM-GFCCVEGCSA-N 2 2 285.218 3.452 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423381364 372057621 /nfs/dbraw/zinc/05/76/21/372057621.db2.gz ZNQKYROPSGCZTJ-KWQFWETISA-N 2 2 289.206 3.144 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc21 ZINC000423177658 372007587 /nfs/dbraw/zinc/00/75/87/372007587.db2.gz BBIOGNOMNCZPNT-JSGCOSHPSA-N 2 2 288.391 3.234 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423185945 372012868 /nfs/dbraw/zinc/01/28/68/372012868.db2.gz JQPSBMPYNMXQEA-CABCVRRESA-N 2 2 264.800 3.133 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCSC3)cc2)c1C ZINC000291194286 372134875 /nfs/dbraw/zinc/13/48/75/372134875.db2.gz GWSYXABWLZQXCZ-AWEZNQCLSA-N 2 2 273.405 3.407 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672205 541868390 /nfs/dbraw/zinc/86/83/90/541868390.db2.gz PHIHIUXJKWPDSZ-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672205 541868392 /nfs/dbraw/zinc/86/83/92/541868392.db2.gz PHIHIUXJKWPDSZ-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427854583 372177284 /nfs/dbraw/zinc/17/72/84/372177284.db2.gz QRKLESKQYMIFEE-CZUORRHYSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672489 541868949 /nfs/dbraw/zinc/86/89/49/541868949.db2.gz JQAHFTZECPZOMZ-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672489 541868953 /nfs/dbraw/zinc/86/89/53/541868953.db2.gz JQAHFTZECPZOMZ-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1ccc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1C ZINC000428729272 372256932 /nfs/dbraw/zinc/25/69/32/372256932.db2.gz HKKAKQNUHRVBPX-UHFFFAOYSA-N 2 2 297.446 3.455 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cscn1 ZINC000162340393 372389124 /nfs/dbraw/zinc/38/91/24/372389124.db2.gz CYPQBZWYPIBXDP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cscn1 ZINC000162340393 372389129 /nfs/dbraw/zinc/38/91/29/372389129.db2.gz CYPQBZWYPIBXDP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCc3ccccc32)[nH+]c1 ZINC000163800834 372493283 /nfs/dbraw/zinc/49/32/83/372493283.db2.gz AGIMSKNKKBJLHD-INIZCTEOSA-N 2 2 267.376 3.161 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163811825 372493364 /nfs/dbraw/zinc/49/33/64/372493364.db2.gz GXYLNWXAHPUSFR-CQSZACIVSA-N 2 2 285.391 3.243 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000163847993 372494395 /nfs/dbraw/zinc/49/43/95/372494395.db2.gz JVFTYKQFJSPAMF-CYBMUJFWSA-N 2 2 273.355 3.374 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000163848245 372495163 /nfs/dbraw/zinc/49/51/63/372495163.db2.gz XCCJHFGSOWSXDM-ZDUSSCGKSA-N 2 2 273.355 3.374 20 0 CGADLP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000344402793 217183039 /nfs/dbraw/zinc/18/30/39/217183039.db2.gz BBNBGEGGVYYAIV-OAHLLOKOSA-N 2 2 291.370 3.132 20 0 CGADLP C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692677 372668871 /nfs/dbraw/zinc/66/88/71/372668871.db2.gz ASRWGRGXAMEKGV-RYUDHWBXSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692677 372668875 /nfs/dbraw/zinc/66/88/75/372668875.db2.gz ASRWGRGXAMEKGV-RYUDHWBXSA-N 2 2 297.324 3.497 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]c[nH]3)oc21 ZINC000171127542 372717023 /nfs/dbraw/zinc/71/70/23/372717023.db2.gz MKTVYEKLNOZVCR-NSHDSACASA-N 2 2 285.347 3.405 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000353442253 220086164 /nfs/dbraw/zinc/08/61/64/220086164.db2.gz PKZSFQDDZVZGCP-ZDUSSCGKSA-N 2 2 293.361 3.162 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000295571994 372830253 /nfs/dbraw/zinc/83/02/53/372830253.db2.gz AQZGKHPLQPWOJW-UKRRQHHQSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000295571994 372830258 /nfs/dbraw/zinc/83/02/58/372830258.db2.gz AQZGKHPLQPWOJW-UKRRQHHQSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000438087551 372874084 /nfs/dbraw/zinc/87/40/84/372874084.db2.gz YBRRRRJEXCGDQH-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000438087551 372874095 /nfs/dbraw/zinc/87/40/95/372874095.db2.gz YBRRRRJEXCGDQH-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CCc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)o1 ZINC000344726362 217290191 /nfs/dbraw/zinc/29/01/91/217290191.db2.gz SGXCFMSOFJHNNU-UHFFFAOYSA-N 2 2 266.429 3.441 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000296044979 373004380 /nfs/dbraw/zinc/00/43/80/373004380.db2.gz OFRUPTUMSTUHQO-HNNXBMFYSA-N 2 2 250.361 3.147 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@](C)(F)C1 ZINC000296044979 373004385 /nfs/dbraw/zinc/00/43/85/373004385.db2.gz OFRUPTUMSTUHQO-HNNXBMFYSA-N 2 2 250.361 3.147 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000296056955 373007759 /nfs/dbraw/zinc/00/77/59/373007759.db2.gz VPSNYXFDDAESKI-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000296056955 373007765 /nfs/dbraw/zinc/00/77/65/373007765.db2.gz VPSNYXFDDAESKI-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+](C)C ZINC000442724454 373069301 /nfs/dbraw/zinc/06/93/01/373069301.db2.gz ZNOYIJMIFVUWAQ-GJZGRUSLSA-N 2 2 299.462 3.201 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@@H+]1C ZINC000172848272 373046877 /nfs/dbraw/zinc/04/68/77/373046877.db2.gz GOTIDURGPQBNLL-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@H+]1C ZINC000172848272 373046884 /nfs/dbraw/zinc/04/68/84/373046884.db2.gz GOTIDURGPQBNLL-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848272 373046889 /nfs/dbraw/zinc/04/68/89/373046889.db2.gz GOTIDURGPQBNLL-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848272 373046900 /nfs/dbraw/zinc/04/69/00/373046900.db2.gz GOTIDURGPQBNLL-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000296393540 373116913 /nfs/dbraw/zinc/11/69/13/373116913.db2.gz JZCHCOQWVWBHNT-CJNGLKHVSA-N 2 2 284.407 3.371 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000442795727 373087159 /nfs/dbraw/zinc/08/71/59/373087159.db2.gz VHSIUQARMOQKJD-RUXDESIVSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000442795727 373087169 /nfs/dbraw/zinc/08/71/69/373087169.db2.gz VHSIUQARMOQKJD-RUXDESIVSA-N 2 2 286.410 3.417 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(F)cn2)n1-c1ccccc1 ZINC000344913413 217353522 /nfs/dbraw/zinc/35/35/22/217353522.db2.gz GTMJYZPLDHKZFG-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353632038 220205455 /nfs/dbraw/zinc/20/54/55/220205455.db2.gz RHITYLQHZRWFDJ-CHWSQXEVSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353632038 220205461 /nfs/dbraw/zinc/20/54/61/220205461.db2.gz RHITYLQHZRWFDJ-CHWSQXEVSA-N 2 2 285.391 3.017 20 0 CGADLP COC1(C[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000447897345 373520064 /nfs/dbraw/zinc/52/00/64/373520064.db2.gz MABSCQAGQBBKQW-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP COC1(C[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000447897345 373520068 /nfs/dbraw/zinc/52/00/68/373520068.db2.gz MABSCQAGQBBKQW-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447940903 373527865 /nfs/dbraw/zinc/52/78/65/373527865.db2.gz JEJZATCLYVJWPN-UHFFFAOYSA-N 2 2 283.485 3.262 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448029634 373539534 /nfs/dbraw/zinc/53/95/34/373539534.db2.gz QTKLHRUGXPBDJH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448029634 373539545 /nfs/dbraw/zinc/53/95/45/373539545.db2.gz QTKLHRUGXPBDJH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000448031384 373541363 /nfs/dbraw/zinc/54/13/63/373541363.db2.gz UPJAFGMQOIPXHS-KBPBESRZSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000448031384 373541367 /nfs/dbraw/zinc/54/13/67/373541367.db2.gz UPJAFGMQOIPXHS-KBPBESRZSA-N 2 2 282.472 3.043 20 0 CGADLP Fc1cc(C[NH2+]C2CC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC000448064925 373545397 /nfs/dbraw/zinc/54/53/97/373545397.db2.gz IHDPHDSGGPDDMS-UHFFFAOYSA-N 2 2 285.366 3.434 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300518198 373635857 /nfs/dbraw/zinc/63/58/57/373635857.db2.gz KDIZGGKFVXMGHF-ZNMIVQPWSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300518198 373635862 /nfs/dbraw/zinc/63/58/62/373635862.db2.gz KDIZGGKFVXMGHF-ZNMIVQPWSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@H](c1ccc(Br)cc1)[N@H+](CC)CC[NH3+] ZINC000300831296 373640274 /nfs/dbraw/zinc/64/02/74/373640274.db2.gz OSBUXJBAXBUTPO-CYBMUJFWSA-N 2 2 285.229 3.181 20 0 CGADLP CC[C@H](c1ccc(Br)cc1)[N@@H+](CC)CC[NH3+] ZINC000300831296 373640281 /nfs/dbraw/zinc/64/02/81/373640281.db2.gz OSBUXJBAXBUTPO-CYBMUJFWSA-N 2 2 285.229 3.181 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300187320 373620264 /nfs/dbraw/zinc/62/02/64/373620264.db2.gz TZTAZJGXFGEPEW-CHWSQXEVSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300187320 373620269 /nfs/dbraw/zinc/62/02/69/373620269.db2.gz TZTAZJGXFGEPEW-CHWSQXEVSA-N 2 2 285.391 3.138 20 0 CGADLP CC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449432008 373709918 /nfs/dbraw/zinc/70/99/18/373709918.db2.gz FIWIZXDFACDDEY-CVEARBPZSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442444 373719059 /nfs/dbraw/zinc/71/90/59/373719059.db2.gz YZETWQUSIOFTRW-VBQJREDUSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442444 373719074 /nfs/dbraw/zinc/71/90/74/373719074.db2.gz YZETWQUSIOFTRW-VBQJREDUSA-N 2 2 258.409 3.038 20 0 CGADLP CCc1ccc([C@H](CNc2cc(C)[nH+]cn2)[NH+](C)C)cc1 ZINC000301241127 373705798 /nfs/dbraw/zinc/70/57/98/373705798.db2.gz MJGXOOPCPCCKGD-INIZCTEOSA-N 2 2 284.407 3.062 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000353661782 220233251 /nfs/dbraw/zinc/23/32/51/220233251.db2.gz XKGNTHXAOHUSPM-HIFRSBDPSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000353661782 220233254 /nfs/dbraw/zinc/23/32/54/220233254.db2.gz XKGNTHXAOHUSPM-HIFRSBDPSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353661782 220233257 /nfs/dbraw/zinc/23/32/57/220233257.db2.gz XKGNTHXAOHUSPM-HIFRSBDPSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353661782 220233262 /nfs/dbraw/zinc/23/32/62/220233262.db2.gz XKGNTHXAOHUSPM-HIFRSBDPSA-N 2 2 278.415 3.303 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccoc1 ZINC000177937076 373726843 /nfs/dbraw/zinc/72/68/43/373726843.db2.gz ZVDYKCQCINBOAP-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCS2 ZINC000178306820 373764370 /nfs/dbraw/zinc/76/43/70/373764370.db2.gz MUZVJVMCNQJDIT-AWEZNQCLSA-N 2 2 280.412 3.048 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000178307771 373764626 /nfs/dbraw/zinc/76/46/26/373764626.db2.gz AALRSBQXKXMIFY-QGZVFWFLSA-N 2 2 276.424 3.222 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C3CCOCC3)C2)c[nH+]1 ZINC000353664565 220238498 /nfs/dbraw/zinc/23/84/98/220238498.db2.gz YACNUPVUAAOQLY-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C3CCOCC3)C2)c[nH+]1 ZINC000353664565 220238499 /nfs/dbraw/zinc/23/84/99/220238499.db2.gz YACNUPVUAAOQLY-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)c[nH+]1 ZINC000353664564 220238502 /nfs/dbraw/zinc/23/85/02/220238502.db2.gz YACNUPVUAAOQLY-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C3CCOCC3)C2)c[nH+]1 ZINC000353664564 220238503 /nfs/dbraw/zinc/23/85/03/220238503.db2.gz YACNUPVUAAOQLY-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP CC[N@H+](CC[NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000302493116 373878877 /nfs/dbraw/zinc/87/88/77/373878877.db2.gz JJGUFJNPOLFARH-UHFFFAOYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C1CCC1)C1CCC1)C1CC1 ZINC000302493116 373878884 /nfs/dbraw/zinc/87/88/84/373878884.db2.gz JJGUFJNPOLFARH-UHFFFAOYSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc2[nH+]ccn21 ZINC000179680793 373902874 /nfs/dbraw/zinc/90/28/74/373902874.db2.gz CTKXBSTWYHOOQF-UHFFFAOYSA-N 2 2 287.313 3.245 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc2[nH+]ccn21 ZINC000179680793 373902879 /nfs/dbraw/zinc/90/28/79/373902879.db2.gz CTKXBSTWYHOOQF-UHFFFAOYSA-N 2 2 287.313 3.245 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000179991684 373950668 /nfs/dbraw/zinc/95/06/68/373950668.db2.gz VKYTVJKFFVPQIB-INIZCTEOSA-N 2 2 289.448 3.290 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000302782684 373960071 /nfs/dbraw/zinc/96/00/71/373960071.db2.gz SRKZCDPXLDRMAJ-ZIAGYGMSSA-N 2 2 299.418 3.081 20 0 CGADLP COc1ccccc1/C=C/C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179834973 373925992 /nfs/dbraw/zinc/92/59/92/373925992.db2.gz LOUCREMXYSLHEE-SOFGYWHQSA-N 2 2 288.435 3.171 20 0 CGADLP CCc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)cc[nH+]1 ZINC000450251852 374022705 /nfs/dbraw/zinc/02/27/05/374022705.db2.gz DSNWKADIXLTBBB-UHFFFAOYSA-N 2 2 296.418 3.063 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Cl ZINC000180433814 374006948 /nfs/dbraw/zinc/00/69/48/374006948.db2.gz YPAREVGMKLVZQR-AWEZNQCLSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1Cl ZINC000180433814 374006954 /nfs/dbraw/zinc/00/69/54/374006954.db2.gz YPAREVGMKLVZQR-AWEZNQCLSA-N 2 2 266.816 3.032 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353670025 220243409 /nfs/dbraw/zinc/24/34/09/220243409.db2.gz FTFQUVDMYWKCAF-RDJZCZTQSA-N 2 2 282.387 3.130 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353670025 220243412 /nfs/dbraw/zinc/24/34/12/220243412.db2.gz FTFQUVDMYWKCAF-RDJZCZTQSA-N 2 2 282.387 3.130 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(OC)c2)CC1 ZINC000450466862 374149381 /nfs/dbraw/zinc/14/93/81/374149381.db2.gz JZWFHVNOASWMAZ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(OC)c2)CC1 ZINC000450466862 374149388 /nfs/dbraw/zinc/14/93/88/374149388.db2.gz JZWFHVNOASWMAZ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476805 374153508 /nfs/dbraw/zinc/15/35/08/374153508.db2.gz RUGUHBBUXQHODU-BBWFWOEESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476805 374153513 /nfs/dbraw/zinc/15/35/13/374153513.db2.gz RUGUHBBUXQHODU-BBWFWOEESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476805 374153517 /nfs/dbraw/zinc/15/35/17/374153517.db2.gz RUGUHBBUXQHODU-BBWFWOEESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476805 374153524 /nfs/dbraw/zinc/15/35/24/374153524.db2.gz RUGUHBBUXQHODU-BBWFWOEESA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCC1 ZINC000309743933 374195375 /nfs/dbraw/zinc/19/53/75/374195375.db2.gz SWHRSFJNAGSMRH-RLFYNMQTSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCC1 ZINC000309743933 374195380 /nfs/dbraw/zinc/19/53/80/374195380.db2.gz SWHRSFJNAGSMRH-RLFYNMQTSA-N 2 2 272.436 3.428 20 0 CGADLP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309768520 374196864 /nfs/dbraw/zinc/19/68/64/374196864.db2.gz AKCNHLLFNBOJCZ-VLVHBFOGSA-N 2 2 258.409 3.038 20 0 CGADLP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309768520 374196872 /nfs/dbraw/zinc/19/68/72/374196872.db2.gz AKCNHLLFNBOJCZ-VLVHBFOGSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961263 374203925 /nfs/dbraw/zinc/20/39/25/374203925.db2.gz YZETWQUSIOFTRW-ZQIUZPCESA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961263 374203931 /nfs/dbraw/zinc/20/39/31/374203931.db2.gz YZETWQUSIOFTRW-ZQIUZPCESA-N 2 2 258.409 3.038 20 0 CGADLP CC(C[NH+]1CCC[C@@](C)(F)C1)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451116909 374191665 /nfs/dbraw/zinc/19/16/65/374191665.db2.gz SVKQEGOXMQOAOB-HZPDHXFCSA-N 2 2 288.426 3.271 20 0 CGADLP CC(C[NH+]1CCC[C@@](C)(F)C1)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451116909 374191669 /nfs/dbraw/zinc/19/16/69/374191669.db2.gz SVKQEGOXMQOAOB-HZPDHXFCSA-N 2 2 288.426 3.271 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000182234569 374241843 /nfs/dbraw/zinc/24/18/43/374241843.db2.gz KXIQVTAZPKQVOI-OAHLLOKOSA-N 2 2 294.826 3.238 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C1CCC1 ZINC000182561176 374289835 /nfs/dbraw/zinc/28/98/35/374289835.db2.gz XBFLUNXJKXIKHN-HNNXBMFYSA-N 2 2 287.451 3.347 20 0 CGADLP Fc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182663805 374308305 /nfs/dbraw/zinc/30/83/05/374308305.db2.gz VFTOTKOFZVEVBX-UHFFFAOYSA-N 2 2 285.366 3.202 20 0 CGADLP Fc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182663805 374308316 /nfs/dbraw/zinc/30/83/16/374308316.db2.gz VFTOTKOFZVEVBX-UHFFFAOYSA-N 2 2 285.366 3.202 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@H](C)C3)[nH+]c12 ZINC000080236210 541922386 /nfs/dbraw/zinc/92/23/86/541922386.db2.gz MSXUAELTVCHGMB-DZGCQCFKSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C[N@@H+]1C1CC1 ZINC000453124828 374366598 /nfs/dbraw/zinc/36/65/98/374366598.db2.gz INHCYXNHRHVWKD-VMGRFDJRSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C[N@H+]1C1CC1 ZINC000453124828 374366602 /nfs/dbraw/zinc/36/66/02/374366602.db2.gz INHCYXNHRHVWKD-VMGRFDJRSA-N 2 2 262.441 3.170 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC2CCOCC2)n1-c1ccccc1 ZINC000320231840 374349493 /nfs/dbraw/zinc/34/94/93/374349493.db2.gz HPBOTHYNZKWEEQ-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP COc1c(C)cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000183170978 374380235 /nfs/dbraw/zinc/38/02/35/374380235.db2.gz ODRPPUCUFPZWGC-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP COc1c(C)cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000183170978 374380240 /nfs/dbraw/zinc/38/02/40/374380240.db2.gz ODRPPUCUFPZWGC-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183180126 374382038 /nfs/dbraw/zinc/38/20/38/374382038.db2.gz NPAKXZIVUZXXMG-ZBFHGGJFSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183180126 374382046 /nfs/dbraw/zinc/38/20/46/374382046.db2.gz NPAKXZIVUZXXMG-ZBFHGGJFSA-N 2 2 287.382 3.290 20 0 CGADLP CC(C)COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccco1 ZINC000184154082 374498491 /nfs/dbraw/zinc/49/84/91/374498491.db2.gz QHEJXQBBCOLYLE-HOTGVXAUSA-N 2 2 294.439 3.067 20 0 CGADLP CC(C)COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154082 374498497 /nfs/dbraw/zinc/49/84/97/374498497.db2.gz QHEJXQBBCOLYLE-HOTGVXAUSA-N 2 2 294.439 3.067 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000090407484 541960735 /nfs/dbraw/zinc/96/07/35/541960735.db2.gz VVOGFISABQPNGO-LBPRGKRZSA-N 2 2 290.436 3.389 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000091335514 541966055 /nfs/dbraw/zinc/96/60/55/541966055.db2.gz IHFVHSNLXSWQLX-QZTJIDSGSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000091335514 541966058 /nfs/dbraw/zinc/96/60/58/541966058.db2.gz IHFVHSNLXSWQLX-QZTJIDSGSA-N 2 2 272.436 3.458 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000091368284 541966503 /nfs/dbraw/zinc/96/65/03/541966503.db2.gz OSTZBWPVGOPVTC-SFHVURJKSA-N 2 2 290.451 3.084 20 0 CGADLP c1cn(CCC[NH2+]C2(Cc3ccccc3)CCCC2)c[nH+]1 ZINC000185835703 374749447 /nfs/dbraw/zinc/74/94/47/374749447.db2.gz MJZZGHAOYJWMID-UHFFFAOYSA-N 2 2 283.419 3.418 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc2cccnc12 ZINC000334502412 374799536 /nfs/dbraw/zinc/79/95/36/374799536.db2.gz IPEIVJVDUWDHNH-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000186330183 374833319 /nfs/dbraw/zinc/83/33/19/374833319.db2.gz NIWZMCXZPBNGAW-QWHCGFSZSA-N 2 2 281.469 3.259 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000186330183 374833327 /nfs/dbraw/zinc/83/33/27/374833327.db2.gz NIWZMCXZPBNGAW-QWHCGFSZSA-N 2 2 281.469 3.259 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000186926850 374940193 /nfs/dbraw/zinc/94/01/93/374940193.db2.gz DNDSFICUFQOUHV-HNNXBMFYSA-N 2 2 287.432 3.327 20 0 CGADLP COCCC[N@H+](C)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188062570 375150372 /nfs/dbraw/zinc/15/03/72/375150372.db2.gz ACJURDQACPTIBV-CQSZACIVSA-N 2 2 298.858 3.001 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188062570 375150377 /nfs/dbraw/zinc/15/03/77/375150377.db2.gz ACJURDQACPTIBV-CQSZACIVSA-N 2 2 298.858 3.001 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482641294 375171500 /nfs/dbraw/zinc/17/15/00/375171500.db2.gz KMTJRKKICWJGDS-KFWWJZLASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482641294 375171504 /nfs/dbraw/zinc/17/15/04/375171504.db2.gz KMTJRKKICWJGDS-KFWWJZLASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000474472341 375113680 /nfs/dbraw/zinc/11/36/80/375113680.db2.gz VYRCDMHAUDYHPN-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000474472341 375113687 /nfs/dbraw/zinc/11/36/87/375113687.db2.gz VYRCDMHAUDYHPN-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000188900614 375290146 /nfs/dbraw/zinc/29/01/46/375290146.db2.gz HTXWRYOBOFLZFQ-UHFFFAOYSA-N 2 2 299.296 3.333 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407082 375308031 /nfs/dbraw/zinc/30/80/31/375308031.db2.gz BNTQGIAACVQTNF-CVEARBPZSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407082 375308039 /nfs/dbraw/zinc/30/80/39/375308039.db2.gz BNTQGIAACVQTNF-CVEARBPZSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CS1 ZINC000488416369 375309086 /nfs/dbraw/zinc/30/90/86/375309086.db2.gz IMQLRHHUHPBMCU-QXSJWSMHSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CS1 ZINC000488416369 375309089 /nfs/dbraw/zinc/30/90/89/375309089.db2.gz IMQLRHHUHPBMCU-QXSJWSMHSA-N 2 2 284.513 3.369 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000189061429 375315917 /nfs/dbraw/zinc/31/59/17/375315917.db2.gz PEKFSFITCIXZSH-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@@H+]1C1CC1 ZINC000188720119 375259180 /nfs/dbraw/zinc/25/91/80/375259180.db2.gz YCLFETDJIGHESZ-CXAGYDPISA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@H+]1C1CC1 ZINC000188720119 375259184 /nfs/dbraw/zinc/25/91/84/375259184.db2.gz YCLFETDJIGHESZ-CXAGYDPISA-N 2 2 270.420 3.279 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335356710 375265357 /nfs/dbraw/zinc/26/53/57/375265357.db2.gz ISLDMLZSGKWFSJ-HNNXBMFYSA-N 2 2 287.382 3.294 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189173699 375337253 /nfs/dbraw/zinc/33/72/53/375337253.db2.gz QHBAQSKIKOMCIO-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189173699 375337255 /nfs/dbraw/zinc/33/72/55/375337255.db2.gz QHBAQSKIKOMCIO-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910592 375533827 /nfs/dbraw/zinc/53/38/27/375533827.db2.gz WJULFCJJGKOUGA-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910592 375533831 /nfs/dbraw/zinc/53/38/31/375533831.db2.gz WJULFCJJGKOUGA-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)O1 ZINC000190957069 375555627 /nfs/dbraw/zinc/55/56/27/375555627.db2.gz YHDLNNTWCRYJSV-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC000190957069 375555636 /nfs/dbraw/zinc/55/56/36/375555636.db2.gz YHDLNNTWCRYJSV-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1C(C)C ZINC000191139119 375583463 /nfs/dbraw/zinc/58/34/63/375583463.db2.gz WEZRRBBZTLDSJH-CYBMUJFWSA-N 2 2 290.455 3.050 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002965 375609809 /nfs/dbraw/zinc/60/98/09/375609809.db2.gz LMGNFCDCDMIIID-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002965 375609811 /nfs/dbraw/zinc/60/98/11/375609811.db2.gz LMGNFCDCDMIIID-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000122766156 542024998 /nfs/dbraw/zinc/02/49/98/542024998.db2.gz GGMUIJSTDLZYLY-AWEZNQCLSA-N 2 2 275.440 3.322 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336101302 375686490 /nfs/dbraw/zinc/68/64/90/375686490.db2.gz ZIWGNUKQEAYQBU-HOCLYGCPSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1c[nH+]ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000192742127 375784982 /nfs/dbraw/zinc/78/49/82/375784982.db2.gz HYAUJIOTHMXYHX-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)[N@H+](C)C1CC1 ZINC000192833022 375793054 /nfs/dbraw/zinc/79/30/54/375793054.db2.gz RNSAFKKUDUDVOG-CXAGYDPISA-N 2 2 273.424 3.006 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)[N@@H+](C)C1CC1 ZINC000192833022 375793058 /nfs/dbraw/zinc/79/30/58/375793058.db2.gz RNSAFKKUDUDVOG-CXAGYDPISA-N 2 2 273.424 3.006 20 0 CGADLP C[C@H](C[NH2+]Cc1sccc1Cl)Cn1cc[nH+]c1 ZINC000193065117 375822020 /nfs/dbraw/zinc/82/20/20/375822020.db2.gz PJHFIAXNKCZUBT-SNVBAGLBSA-N 2 2 269.801 3.024 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336706602 375912162 /nfs/dbraw/zinc/91/21/62/375912162.db2.gz IWRCCJJAICOHGI-UXLLHSPISA-N 2 2 260.425 3.284 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000336706602 375912167 /nfs/dbraw/zinc/91/21/67/375912167.db2.gz IWRCCJJAICOHGI-UXLLHSPISA-N 2 2 260.425 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336810909 375963809 /nfs/dbraw/zinc/96/38/09/375963809.db2.gz JZIWGFARIJWRGV-XEZPLFJOSA-N 2 2 255.365 3.321 20 0 CGADLP CCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000534348541 375980948 /nfs/dbraw/zinc/98/09/48/375980948.db2.gz GZUVBDUCPARMRK-UHFFFAOYSA-N 2 2 275.421 3.413 20 0 CGADLP CC(C)(C)c1cnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000336842894 376005127 /nfs/dbraw/zinc/00/51/27/376005127.db2.gz USGRSBFUCPNUBX-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000535050729 376016546 /nfs/dbraw/zinc/01/65/46/376016546.db2.gz NBGLKVJRLMFBBJ-UKRRQHHQSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000535050729 376016547 /nfs/dbraw/zinc/01/65/47/376016547.db2.gz NBGLKVJRLMFBBJ-UKRRQHHQSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000535050729 376016556 /nfs/dbraw/zinc/01/65/56/376016556.db2.gz NBGLKVJRLMFBBJ-UKRRQHHQSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000535050729 376016560 /nfs/dbraw/zinc/01/65/60/376016560.db2.gz NBGLKVJRLMFBBJ-UKRRQHHQSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359742 296238677 /nfs/dbraw/zinc/23/86/77/296238677.db2.gz KLCHCGPEDSEMON-STQMWFEESA-N 2 2 266.816 3.285 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359742 296238678 /nfs/dbraw/zinc/23/86/78/296238678.db2.gz KLCHCGPEDSEMON-STQMWFEESA-N 2 2 266.816 3.285 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908067 376144066 /nfs/dbraw/zinc/14/40/66/376144066.db2.gz DEHRUVJYZCJOQO-XPKDYRNWSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908067 376144074 /nfs/dbraw/zinc/14/40/74/376144074.db2.gz DEHRUVJYZCJOQO-XPKDYRNWSA-N 2 2 296.842 3.037 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615213 376180465 /nfs/dbraw/zinc/18/04/65/376180465.db2.gz NULWHCXSANCKBA-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615213 376180470 /nfs/dbraw/zinc/18/04/70/376180470.db2.gz NULWHCXSANCKBA-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615213 376180476 /nfs/dbraw/zinc/18/04/76/376180476.db2.gz NULWHCXSANCKBA-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615213 376180480 /nfs/dbraw/zinc/18/04/80/376180480.db2.gz NULWHCXSANCKBA-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234580 376186834 /nfs/dbraw/zinc/18/68/34/376186834.db2.gz UZAYTOKPPDIJMN-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234580 376186839 /nfs/dbraw/zinc/18/68/39/376186839.db2.gz UZAYTOKPPDIJMN-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000538060347 376219274 /nfs/dbraw/zinc/21/92/74/376219274.db2.gz KOYWGDXVEVHFLY-FUHWJXTLSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000538060347 376219283 /nfs/dbraw/zinc/21/92/83/376219283.db2.gz KOYWGDXVEVHFLY-FUHWJXTLSA-N 2 2 290.451 3.466 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337416411 376220507 /nfs/dbraw/zinc/22/05/07/376220507.db2.gz ZNORAZAZMYXROB-YXJHDRRASA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337509501 376225841 /nfs/dbraw/zinc/22/58/41/376225841.db2.gz HXTSEMVUIGUGOA-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337509501 376225847 /nfs/dbraw/zinc/22/58/47/376225847.db2.gz HXTSEMVUIGUGOA-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000222833137 376242511 /nfs/dbraw/zinc/24/25/11/376242511.db2.gz PIVWDBNZKXAQTN-LLVKDONJSA-N 2 2 283.297 3.303 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000226319628 376351452 /nfs/dbraw/zinc/35/14/52/376351452.db2.gz FASZLNNQZGJAGF-CABCVRRESA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000226319628 376351456 /nfs/dbraw/zinc/35/14/56/376351456.db2.gz FASZLNNQZGJAGF-CABCVRRESA-N 2 2 260.425 3.080 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000539460972 376313075 /nfs/dbraw/zinc/31/30/75/376313075.db2.gz GYIOHBCEHMAULO-UHFFFAOYSA-N 2 2 271.408 3.494 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000539460972 376313080 /nfs/dbraw/zinc/31/30/80/376313080.db2.gz GYIOHBCEHMAULO-UHFFFAOYSA-N 2 2 271.408 3.494 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000539051948 376288655 /nfs/dbraw/zinc/28/86/55/376288655.db2.gz QYOYWJRDERGPKW-UONOGXRCSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000539051948 376288660 /nfs/dbraw/zinc/28/86/60/376288660.db2.gz QYOYWJRDERGPKW-UONOGXRCSA-N 2 2 281.469 3.162 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000539086572 376293450 /nfs/dbraw/zinc/29/34/50/376293450.db2.gz BTNFMOUALQBRLQ-JTDSTZFVSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000539086572 376293455 /nfs/dbraw/zinc/29/34/55/376293455.db2.gz BTNFMOUALQBRLQ-JTDSTZFVSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000539124768 376297361 /nfs/dbraw/zinc/29/73/61/376297361.db2.gz RZLDIZAENGXBST-WZRBSPASSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000539124768 376297370 /nfs/dbraw/zinc/29/73/70/376297370.db2.gz RZLDIZAENGXBST-WZRBSPASSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000539217955 376298365 /nfs/dbraw/zinc/29/83/65/376298365.db2.gz ONQGTBSSSKAYJC-RHSMWYFYSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000539217955 376298371 /nfs/dbraw/zinc/29/83/71/376298371.db2.gz ONQGTBSSSKAYJC-RHSMWYFYSA-N 2 2 258.409 3.069 20 0 CGADLP [NH3+][C@H]1CCC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000227674304 376404758 /nfs/dbraw/zinc/40/47/58/376404758.db2.gz LFCCFIUTRNJHDS-ONGXEEELSA-N 2 2 273.302 3.030 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228280761 376432514 /nfs/dbraw/zinc/43/25/14/376432514.db2.gz UTASROUUZJPNIB-SJORKVTESA-N 2 2 284.403 3.458 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228280761 376432521 /nfs/dbraw/zinc/43/25/21/376432521.db2.gz UTASROUUZJPNIB-SJORKVTESA-N 2 2 284.403 3.458 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000542166119 376514066 /nfs/dbraw/zinc/51/40/66/376514066.db2.gz DYQNWHQZSPGFPJ-IIAWOOMASA-N 2 2 289.448 3.459 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000542166119 376514073 /nfs/dbraw/zinc/51/40/73/376514073.db2.gz DYQNWHQZSPGFPJ-IIAWOOMASA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000541846893 376486879 /nfs/dbraw/zinc/48/68/79/376486879.db2.gz JWYBYUCPXAHMFG-FTUNRGFVSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000541846893 376486882 /nfs/dbraw/zinc/48/68/82/376486882.db2.gz JWYBYUCPXAHMFG-FTUNRGFVSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517591 376553867 /nfs/dbraw/zinc/55/38/67/376553867.db2.gz GGSAKABPHHTZNM-WMZOPIPTSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517591 376553874 /nfs/dbraw/zinc/55/38/74/376553874.db2.gz GGSAKABPHHTZNM-WMZOPIPTSA-N 2 2 286.463 3.472 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231465253 376560708 /nfs/dbraw/zinc/56/07/08/376560708.db2.gz MYVUACUKHUHIRD-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231465253 376560713 /nfs/dbraw/zinc/56/07/13/376560713.db2.gz MYVUACUKHUHIRD-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000230770898 376540940 /nfs/dbraw/zinc/54/09/40/376540940.db2.gz HRMHDZOAWGUPNX-ARFHVFGLSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230770898 376540949 /nfs/dbraw/zinc/54/09/49/376540949.db2.gz HRMHDZOAWGUPNX-ARFHVFGLSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000233900787 376605531 /nfs/dbraw/zinc/60/55/31/376605531.db2.gz MJMIIXVLCLEZRS-UONOGXRCSA-N 2 2 297.240 3.242 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576520 376656861 /nfs/dbraw/zinc/65/68/61/376656861.db2.gz JQXRYNKWJIMYKW-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576520 376656869 /nfs/dbraw/zinc/65/68/69/376656869.db2.gz JQXRYNKWJIMYKW-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576520 376656874 /nfs/dbraw/zinc/65/68/74/376656874.db2.gz JQXRYNKWJIMYKW-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576520 376656882 /nfs/dbraw/zinc/65/68/82/376656882.db2.gz JQXRYNKWJIMYKW-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339169248 376720940 /nfs/dbraw/zinc/72/09/40/376720940.db2.gz DXUIXKOZRIKFEU-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339169248 376720948 /nfs/dbraw/zinc/72/09/48/376720948.db2.gz DXUIXKOZRIKFEU-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCCCC1 ZINC000236709959 376685613 /nfs/dbraw/zinc/68/56/13/376685613.db2.gz FRTVCPXIPMUCLM-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000544042242 376698076 /nfs/dbraw/zinc/69/80/76/376698076.db2.gz VSJBJSKWQLTNKH-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000544042242 376698081 /nfs/dbraw/zinc/69/80/81/376698081.db2.gz VSJBJSKWQLTNKH-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000544042242 376698085 /nfs/dbraw/zinc/69/80/85/376698085.db2.gz VSJBJSKWQLTNKH-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000544042242 376698092 /nfs/dbraw/zinc/69/80/92/376698092.db2.gz VSJBJSKWQLTNKH-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000157756099 542138869 /nfs/dbraw/zinc/13/88/69/542138869.db2.gz LQVZSKNPQFMPPE-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000157756099 542138871 /nfs/dbraw/zinc/13/88/71/542138871.db2.gz LQVZSKNPQFMPPE-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3C)[nH+]c12 ZINC000156330189 542127951 /nfs/dbraw/zinc/12/79/51/542127951.db2.gz LPWXEUKAIMIHPN-XJKSGUPXSA-N 2 2 271.408 3.354 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)C ZINC000556600310 376863649 /nfs/dbraw/zinc/86/36/49/376863649.db2.gz CKQAHBPHLOUKLC-CABCVRRESA-N 2 2 252.446 3.083 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)C ZINC000556600310 376863660 /nfs/dbraw/zinc/86/36/60/376863660.db2.gz CKQAHBPHLOUKLC-CABCVRRESA-N 2 2 252.446 3.083 20 0 CGADLP CC(C)C(C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000556600310 376863665 /nfs/dbraw/zinc/86/36/65/376863665.db2.gz CKQAHBPHLOUKLC-CABCVRRESA-N 2 2 252.446 3.083 20 0 CGADLP CC(C)C(C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000556600310 376863676 /nfs/dbraw/zinc/86/36/76/376863676.db2.gz CKQAHBPHLOUKLC-CABCVRRESA-N 2 2 252.446 3.083 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000556765298 376876631 /nfs/dbraw/zinc/87/66/31/376876631.db2.gz WZXFJZFKXMRTGP-GDBMZVCRSA-N 2 2 293.455 3.227 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715712 376889107 /nfs/dbraw/zinc/88/91/07/376889107.db2.gz CTZUFRAQVKBJII-JSGCOSHPSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715712 376889114 /nfs/dbraw/zinc/88/91/14/376889114.db2.gz CTZUFRAQVKBJII-JSGCOSHPSA-N 2 2 275.421 3.336 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000556867550 376891760 /nfs/dbraw/zinc/89/17/60/376891760.db2.gz FVGHVIIKHKVVRW-OAGGEKHMSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000556867550 376891771 /nfs/dbraw/zinc/89/17/71/376891771.db2.gz FVGHVIIKHKVVRW-OAGGEKHMSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000245902623 376929834 /nfs/dbraw/zinc/92/98/34/376929834.db2.gz DUTSVPRKNANJIO-XNJGSVPQSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000245902623 376929843 /nfs/dbraw/zinc/92/98/43/376929843.db2.gz DUTSVPRKNANJIO-XNJGSVPQSA-N 2 2 276.399 3.492 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246474200 377036596 /nfs/dbraw/zinc/03/65/96/377036596.db2.gz QSKJQFQWKLODBT-WFASDCNBSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246474200 377036599 /nfs/dbraw/zinc/03/65/99/377036599.db2.gz QSKJQFQWKLODBT-WFASDCNBSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000558218182 376983795 /nfs/dbraw/zinc/98/37/95/376983795.db2.gz RZSQMGJAPKNYGX-CABCVRRESA-N 2 2 271.408 3.291 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000340419084 377049487 /nfs/dbraw/zinc/04/94/87/377049487.db2.gz WBVHTONLJBOMGE-UONOGXRCSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000340419084 377049498 /nfs/dbraw/zinc/04/94/98/377049498.db2.gz WBVHTONLJBOMGE-UONOGXRCSA-N 2 2 294.826 3.065 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340437911 377056374 /nfs/dbraw/zinc/05/63/74/377056374.db2.gz UJZHJLSDEUEULK-USPMSXPRSA-N 2 2 250.430 3.028 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340437911 377056379 /nfs/dbraw/zinc/05/63/79/377056379.db2.gz UJZHJLSDEUEULK-USPMSXPRSA-N 2 2 250.430 3.028 20 0 CGADLP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000559360205 377084208 /nfs/dbraw/zinc/08/42/08/377084208.db2.gz RWZOQASXRHXQEL-ZWKOTPCHSA-N 2 2 290.426 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000246983112 377130598 /nfs/dbraw/zinc/13/05/98/377130598.db2.gz KEJYCKMHCMEQTF-PVUWLOKVSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000246983112 377130605 /nfs/dbraw/zinc/13/06/05/377130605.db2.gz KEJYCKMHCMEQTF-PVUWLOKVSA-N 2 2 276.399 3.492 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560249967 377135649 /nfs/dbraw/zinc/13/56/49/377135649.db2.gz KJKYZAPGTRVBNH-OAGGEKHMSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560249967 377135660 /nfs/dbraw/zinc/13/56/60/377135660.db2.gz KJKYZAPGTRVBNH-OAGGEKHMSA-N 2 2 284.488 3.290 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)on1 ZINC000247083238 377155669 /nfs/dbraw/zinc/15/56/69/377155669.db2.gz NPVAOLKJQYLIGZ-DVOMOZLQSA-N 2 2 293.455 3.397 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000247083238 377155673 /nfs/dbraw/zinc/15/56/73/377155673.db2.gz NPVAOLKJQYLIGZ-DVOMOZLQSA-N 2 2 293.455 3.397 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100635 377278425 /nfs/dbraw/zinc/27/84/25/377278425.db2.gz UUIUSRUWRJAFLF-HBVLHIRESA-N 2 2 299.462 3.462 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100635 377278429 /nfs/dbraw/zinc/27/84/29/377278429.db2.gz UUIUSRUWRJAFLF-HBVLHIRESA-N 2 2 299.462 3.462 20 0 CGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562280724 377291030 /nfs/dbraw/zinc/29/10/30/377291030.db2.gz OOHKDDOYXZGGMT-INIZCTEOSA-N 2 2 297.402 3.092 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396016 377306677 /nfs/dbraw/zinc/30/66/77/377306677.db2.gz GQUYPHNQXLAAMH-RDBSUJKOSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396016 377306681 /nfs/dbraw/zinc/30/66/81/377306681.db2.gz GQUYPHNQXLAAMH-RDBSUJKOSA-N 2 2 293.480 3.447 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248625890 377369372 /nfs/dbraw/zinc/36/93/72/377369372.db2.gz FSKPKUYFWBYOFY-BRWVUGGUSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248625890 377369379 /nfs/dbraw/zinc/36/93/79/377369379.db2.gz FSKPKUYFWBYOFY-BRWVUGGUSA-N 2 2 272.436 3.253 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1CC3(C1)CCCCC3)CCCC2 ZINC000562939770 377375529 /nfs/dbraw/zinc/37/55/29/377375529.db2.gz RGZDZRBGEVPLJC-UHFFFAOYSA-N 2 2 273.424 3.422 20 0 CGADLP CSc1ccccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563349976 377445959 /nfs/dbraw/zinc/44/59/59/377445959.db2.gz KBHDCXPOCFJJIY-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563349976 377445964 /nfs/dbraw/zinc/44/59/64/377445964.db2.gz KBHDCXPOCFJJIY-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC1(C)C ZINC000563360750 377448628 /nfs/dbraw/zinc/44/86/28/377448628.db2.gz FGCAKHVPKUTHIS-ZIAGYGMSSA-N 2 2 261.413 3.134 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000563357974 377449521 /nfs/dbraw/zinc/44/95/21/377449521.db2.gz VJDXOWCIQMUHNH-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000563357974 377449529 /nfs/dbraw/zinc/44/95/29/377449529.db2.gz VJDXOWCIQMUHNH-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)n1C ZINC000563438607 377466115 /nfs/dbraw/zinc/46/61/15/377466115.db2.gz CASILVOXTQKQJY-ZDUSSCGKSA-N 2 2 287.407 3.367 20 0 CGADLP CC(C)c1cc(NCCNc2cccc[nH+]2)nc(C(C)C)[nH+]1 ZINC000341273440 377481251 /nfs/dbraw/zinc/48/12/51/377481251.db2.gz RYPBGWVDKBZRBC-UHFFFAOYSA-N 2 2 299.422 3.064 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nccs1 ZINC000093516625 249037677 /nfs/dbraw/zinc/03/76/77/249037677.db2.gz CTWPXZXECYZTNU-FRRDWIJNSA-N 2 2 267.442 3.105 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2ccccc2c1 ZINC000313249214 249089627 /nfs/dbraw/zinc/08/96/27/249089627.db2.gz DDBXWOXIBZZYLC-AWEZNQCLSA-N 2 2 279.387 3.467 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)C[NH+](C)C ZINC000312551774 249080124 /nfs/dbraw/zinc/08/01/24/249080124.db2.gz BMESIWONUVSXNY-QMMMGPOBSA-N 2 2 281.252 3.342 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313290839 249090869 /nfs/dbraw/zinc/09/08/69/249090869.db2.gz FPIBTKWKEFEWOX-CQSZACIVSA-N 2 2 271.408 3.266 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000469873860 249161082 /nfs/dbraw/zinc/16/10/82/249161082.db2.gz VLIQJRJXPDNBJW-UHFFFAOYSA-N 2 2 282.378 3.447 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000469873860 249161084 /nfs/dbraw/zinc/16/10/84/249161084.db2.gz VLIQJRJXPDNBJW-UHFFFAOYSA-N 2 2 282.378 3.447 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000250577194 377563806 /nfs/dbraw/zinc/56/38/06/377563806.db2.gz FHNCVDJEBCEOTH-YOEHRIQHSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000250577194 377563816 /nfs/dbraw/zinc/56/38/16/377563816.db2.gz FHNCVDJEBCEOTH-YOEHRIQHSA-N 2 2 276.424 3.176 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[N@@H+](C)C(C)C ZINC000515057196 249199776 /nfs/dbraw/zinc/19/97/76/249199776.db2.gz VTFYHBRATYDYMW-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[N@H+](C)C(C)C ZINC000515057196 249199778 /nfs/dbraw/zinc/19/97/78/249199778.db2.gz VTFYHBRATYDYMW-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000515586687 249216435 /nfs/dbraw/zinc/21/64/35/249216435.db2.gz ODYWECHYTQJTCW-DOTOQJQBSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000515586687 249216438 /nfs/dbraw/zinc/21/64/38/249216438.db2.gz ODYWECHYTQJTCW-DOTOQJQBSA-N 2 2 281.403 3.287 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000251578556 377588370 /nfs/dbraw/zinc/58/83/70/377588370.db2.gz VSOGNOLEXOGKAE-KBRIMQKVSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000251654709 377592923 /nfs/dbraw/zinc/59/29/23/377592923.db2.gz FTUNIKSAAGBKJS-HYVNUMGLSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccno2)CC[N@@H+]1Cc1ccccc1 ZINC000265648159 190196561 /nfs/dbraw/zinc/19/65/61/190196561.db2.gz MQNHKWYSWJJCEV-NVXWUHKLSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccno2)CC[N@H+]1Cc1ccccc1 ZINC000265648159 190196562 /nfs/dbraw/zinc/19/65/62/190196562.db2.gz MQNHKWYSWJJCEV-NVXWUHKLSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648159 190196563 /nfs/dbraw/zinc/19/65/63/190196563.db2.gz MQNHKWYSWJJCEV-NVXWUHKLSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648159 190196564 /nfs/dbraw/zinc/19/65/64/190196564.db2.gz MQNHKWYSWJJCEV-NVXWUHKLSA-N 2 2 299.418 3.160 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000252427384 377620448 /nfs/dbraw/zinc/62/04/48/377620448.db2.gz YRDYXPIYWJISLT-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000252427384 377620454 /nfs/dbraw/zinc/62/04/54/377620454.db2.gz YRDYXPIYWJISLT-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000252711128 377654219 /nfs/dbraw/zinc/65/42/19/377654219.db2.gz IPONRQGHMLYMMQ-QMTHXVAHSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000252711128 377654227 /nfs/dbraw/zinc/65/42/27/377654227.db2.gz IPONRQGHMLYMMQ-QMTHXVAHSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000252713932 377654695 /nfs/dbraw/zinc/65/46/95/377654695.db2.gz QNYXDJCHIIOOSY-RDBSUJKOSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000252713932 377654704 /nfs/dbraw/zinc/65/47/04/377654704.db2.gz QNYXDJCHIIOOSY-RDBSUJKOSA-N 2 2 250.430 3.170 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439517 377663957 /nfs/dbraw/zinc/66/39/57/377663957.db2.gz VHMGMNRMYGWRAH-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439517 377663964 /nfs/dbraw/zinc/66/39/64/377663964.db2.gz VHMGMNRMYGWRAH-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439517 377663969 /nfs/dbraw/zinc/66/39/69/377663969.db2.gz VHMGMNRMYGWRAH-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439517 377663974 /nfs/dbraw/zinc/66/39/74/377663974.db2.gz VHMGMNRMYGWRAH-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000252894183 377669770 /nfs/dbraw/zinc/66/97/70/377669770.db2.gz UEKIDJPDTQKMFC-ZWNOBZJWSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000252894183 377669772 /nfs/dbraw/zinc/66/97/72/377669772.db2.gz UEKIDJPDTQKMFC-ZWNOBZJWSA-N 2 2 287.234 3.423 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644500 377689140 /nfs/dbraw/zinc/68/91/40/377689140.db2.gz BKLNFBWHJMJZOO-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644500 377689146 /nfs/dbraw/zinc/68/91/46/377689146.db2.gz BKLNFBWHJMJZOO-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644500 377689153 /nfs/dbraw/zinc/68/91/53/377689153.db2.gz BKLNFBWHJMJZOO-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644500 377689156 /nfs/dbraw/zinc/68/91/56/377689156.db2.gz BKLNFBWHJMJZOO-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000181604950 542219680 /nfs/dbraw/zinc/21/96/80/542219680.db2.gz JWABNYPNIJXKEN-INIZCTEOSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721980 377699142 /nfs/dbraw/zinc/69/91/42/377699142.db2.gz KPDXVWIHGXLLFV-RDTXWAMCSA-N 2 2 297.446 3.477 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721980 377699147 /nfs/dbraw/zinc/69/91/47/377699147.db2.gz KPDXVWIHGXLLFV-RDTXWAMCSA-N 2 2 297.446 3.477 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000253577907 377699815 /nfs/dbraw/zinc/69/98/15/377699815.db2.gz XQNACNYHQJBLJA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000253577907 377699823 /nfs/dbraw/zinc/69/98/23/377699823.db2.gz XQNACNYHQJBLJA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000342680087 377730996 /nfs/dbraw/zinc/73/09/96/377730996.db2.gz ZZPICOIZFAFSPJ-SJORKVTESA-N 2 2 299.418 3.109 20 0 CGADLP C[C@@H](C[NH2+]CC(C)(C)c1ccccc1)Cn1cc[nH+]c1 ZINC000181717316 542221337 /nfs/dbraw/zinc/22/13/37/542221337.db2.gz UFHUCSLJZMPNKD-HNNXBMFYSA-N 2 2 271.408 3.087 20 0 CGADLP c1ccc(COc2ccccc2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000261551176 377816633 /nfs/dbraw/zinc/81/66/33/377816633.db2.gz QGPJTTZGFZMRMH-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP c1ccc(COc2ccccc2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000261551176 377816640 /nfs/dbraw/zinc/81/66/40/377816640.db2.gz QGPJTTZGFZMRMH-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261581585 377821293 /nfs/dbraw/zinc/82/12/93/377821293.db2.gz QTEBLEZKHREFPQ-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261581585 377821302 /nfs/dbraw/zinc/82/13/02/377821302.db2.gz QTEBLEZKHREFPQ-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261580024 377821590 /nfs/dbraw/zinc/82/15/90/377821590.db2.gz PXAAYMLHWHXRJV-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261580024 377821598 /nfs/dbraw/zinc/82/15/98/377821598.db2.gz PXAAYMLHWHXRJV-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCSc2ccccc2)C[C@H]1c1ccccc1 ZINC000261876036 377862486 /nfs/dbraw/zinc/86/24/86/377862486.db2.gz XXHCFSUOFGCKCO-ZWKOTPCHSA-N 2 2 298.455 3.205 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1c1ccccc1 ZINC000261876036 377862492 /nfs/dbraw/zinc/86/24/92/377862492.db2.gz XXHCFSUOFGCKCO-ZWKOTPCHSA-N 2 2 298.455 3.205 20 0 CGADLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343324336 377952789 /nfs/dbraw/zinc/95/27/89/377952789.db2.gz XECFNSGBLJPXEA-UHFFFAOYSA-N 2 2 269.392 3.246 20 0 CGADLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343324336 377952794 /nfs/dbraw/zinc/95/27/94/377952794.db2.gz XECFNSGBLJPXEA-UHFFFAOYSA-N 2 2 269.392 3.246 20 0 CGADLP CSCCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343684668 378064481 /nfs/dbraw/zinc/06/44/81/378064481.db2.gz SSFIHHCHBKCZKK-UHFFFAOYSA-N 2 2 281.450 3.119 20 0 CGADLP CSCCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000343684668 378064485 /nfs/dbraw/zinc/06/44/85/378064485.db2.gz SSFIHHCHBKCZKK-UHFFFAOYSA-N 2 2 281.450 3.119 20 0 CGADLP CC[C@H](CSC)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000578920058 378114468 /nfs/dbraw/zinc/11/44/68/378114468.db2.gz VBNGQKXJJHDZNT-OAHLLOKOSA-N 2 2 266.454 3.396 20 0 CGADLP CC[C@H](CSC)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000578920058 378114471 /nfs/dbraw/zinc/11/44/71/378114471.db2.gz VBNGQKXJJHDZNT-OAHLLOKOSA-N 2 2 266.454 3.396 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000268830039 378125887 /nfs/dbraw/zinc/12/58/87/378125887.db2.gz KCLPGOZOVMTNLK-VHRBIJSZSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000268830039 378125893 /nfs/dbraw/zinc/12/58/93/378125893.db2.gz KCLPGOZOVMTNLK-VHRBIJSZSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000268830032 378126147 /nfs/dbraw/zinc/12/61/47/378126147.db2.gz KCLPGOZOVMTNLK-OSMZGAPFSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000268830032 378126154 /nfs/dbraw/zinc/12/61/54/378126154.db2.gz KCLPGOZOVMTNLK-OSMZGAPFSA-N 2 2 264.438 3.190 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344008855 378152316 /nfs/dbraw/zinc/15/23/16/378152316.db2.gz ZMUZTWQUDLATQU-USXIJHARSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344008855 378152324 /nfs/dbraw/zinc/15/23/24/378152324.db2.gz ZMUZTWQUDLATQU-USXIJHARSA-N 2 2 260.425 3.285 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579950974 378209705 /nfs/dbraw/zinc/20/97/05/378209705.db2.gz GMCPMTAGVAHPPK-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579950974 378209713 /nfs/dbraw/zinc/20/97/13/378209713.db2.gz GMCPMTAGVAHPPK-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000344630276 378176341 /nfs/dbraw/zinc/17/63/41/378176341.db2.gz MBNJPPXAWGWOLE-BPUTZDHNSA-N 2 2 288.435 3.219 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000344630276 378176342 /nfs/dbraw/zinc/17/63/42/378176342.db2.gz MBNJPPXAWGWOLE-BPUTZDHNSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000579657925 378180253 /nfs/dbraw/zinc/18/02/53/378180253.db2.gz PUNGXDMNBJADQG-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000579657925 378180262 /nfs/dbraw/zinc/18/02/62/378180262.db2.gz PUNGXDMNBJADQG-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP F[C@@]1(c2ccccc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000580098563 378225196 /nfs/dbraw/zinc/22/51/96/378225196.db2.gz MNIPLGJBZBYZTG-SFHVURJKSA-N 2 2 290.426 3.433 20 0 CGADLP F[C@@]1(c2ccccc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000580098563 378225199 /nfs/dbraw/zinc/22/51/99/378225199.db2.gz MNIPLGJBZBYZTG-SFHVURJKSA-N 2 2 290.426 3.433 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000580129217 378226628 /nfs/dbraw/zinc/22/66/28/378226628.db2.gz QQIOZFFHZIIEGS-MXSMSXNCSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000580129217 378226634 /nfs/dbraw/zinc/22/66/34/378226634.db2.gz QQIOZFFHZIIEGS-MXSMSXNCSA-N 2 2 272.436 3.285 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000583760863 378344053 /nfs/dbraw/zinc/34/40/53/378344053.db2.gz WCNIRQOXXJGYPF-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000583760863 378344057 /nfs/dbraw/zinc/34/40/57/378344057.db2.gz WCNIRQOXXJGYPF-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000270846695 378405673 /nfs/dbraw/zinc/40/56/73/378405673.db2.gz GYAGRXFZHXVDQT-OAHLLOKOSA-N 2 2 298.415 3.027 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000270625317 378378168 /nfs/dbraw/zinc/37/81/68/378378168.db2.gz FIPFTQUHWKFMFX-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000270625317 378378170 /nfs/dbraw/zinc/37/81/70/378378170.db2.gz FIPFTQUHWKFMFX-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346137373 378475688 /nfs/dbraw/zinc/47/56/88/378475688.db2.gz VBBFXFAORNHFFF-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346137373 378475700 /nfs/dbraw/zinc/47/57/00/378475700.db2.gz VBBFXFAORNHFFF-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CC[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346144199 378479892 /nfs/dbraw/zinc/47/98/92/378479892.db2.gz CFNXWAASOVWRSI-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP CC[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346144199 378479897 /nfs/dbraw/zinc/47/98/97/378479897.db2.gz CFNXWAASOVWRSI-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@@H]1SCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346199789 378501848 /nfs/dbraw/zinc/50/18/48/378501848.db2.gz GUYXUISDZNZBPN-RYUDHWBXSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@@H]1SCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346199789 378501854 /nfs/dbraw/zinc/50/18/54/378501854.db2.gz GUYXUISDZNZBPN-RYUDHWBXSA-N 2 2 293.461 3.260 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000346321237 378543341 /nfs/dbraw/zinc/54/33/41/378543341.db2.gz ZZSCQYQKXVKLIK-QGZVFWFLSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000346321237 378543345 /nfs/dbraw/zinc/54/33/45/378543345.db2.gz ZZSCQYQKXVKLIK-QGZVFWFLSA-N 2 2 283.419 3.317 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000346278072 378530896 /nfs/dbraw/zinc/53/08/96/378530896.db2.gz OJWGHVAZVMZACZ-QGZVFWFLSA-N 2 2 289.398 3.221 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000346278072 378530900 /nfs/dbraw/zinc/53/09/00/378530900.db2.gz OJWGHVAZVMZACZ-QGZVFWFLSA-N 2 2 289.398 3.221 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000346554462 217941725 /nfs/dbraw/zinc/94/17/25/217941725.db2.gz IGBPEIUBQOAOEM-YQQAZPJKSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000346542601 378612400 /nfs/dbraw/zinc/61/24/00/378612400.db2.gz WROZPNFOOFUVNF-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000346542601 378612406 /nfs/dbraw/zinc/61/24/06/378612406.db2.gz WROZPNFOOFUVNF-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000638000901 378663513 /nfs/dbraw/zinc/66/35/13/378663513.db2.gz SXVFVVPKTBOHGQ-UHFFFAOYSA-N 2 2 285.435 3.141 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000346964891 378698097 /nfs/dbraw/zinc/69/80/97/378698097.db2.gz CEVQBQMXDKWCEP-LLVKDONJSA-N 2 2 269.458 3.305 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346964891 378698099 /nfs/dbraw/zinc/69/80/99/378698099.db2.gz CEVQBQMXDKWCEP-LLVKDONJSA-N 2 2 269.458 3.305 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000346695459 378679078 /nfs/dbraw/zinc/67/90/78/378679078.db2.gz CATJOEUYZQLFBE-BLLLJJGKSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000346695459 378679083 /nfs/dbraw/zinc/67/90/83/378679083.db2.gz CATJOEUYZQLFBE-BLLLJJGKSA-N 2 2 297.446 3.500 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@@H+]1C1CC1 ZINC000346697741 378680414 /nfs/dbraw/zinc/68/04/14/378680414.db2.gz GOKJYPHTXPSREA-CABCVRRESA-N 2 2 288.435 3.059 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@H+]1C1CC1 ZINC000346697741 378680419 /nfs/dbraw/zinc/68/04/19/378680419.db2.gz GOKJYPHTXPSREA-CABCVRRESA-N 2 2 288.435 3.059 20 0 CGADLP CO[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950675 378642979 /nfs/dbraw/zinc/64/29/79/378642979.db2.gz FEAVFYBAJIEYCU-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950675 378642983 /nfs/dbraw/zinc/64/29/83/378642983.db2.gz FEAVFYBAJIEYCU-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950675 378642985 /nfs/dbraw/zinc/64/29/85/378642985.db2.gz FEAVFYBAJIEYCU-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950675 378642987 /nfs/dbraw/zinc/64/29/87/378642987.db2.gz FEAVFYBAJIEYCU-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)s1 ZINC000347943862 378736177 /nfs/dbraw/zinc/73/61/77/378736177.db2.gz BNRMKLGXMFZAIP-GJZGRUSLSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)s1 ZINC000347943862 378736182 /nfs/dbraw/zinc/73/61/82/378736182.db2.gz BNRMKLGXMFZAIP-GJZGRUSLSA-N 2 2 293.480 3.367 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CCC[C@H]2CCO2)[NH+](C)C)cc1 ZINC000638287472 378755197 /nfs/dbraw/zinc/75/51/97/378755197.db2.gz FDJYITYAWWSJOX-ROUUACIJSA-N 2 2 290.451 3.010 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000348049132 378766427 /nfs/dbraw/zinc/76/64/27/378766427.db2.gz UXWXJNGCUSCZSH-CALCHBBNSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000348049132 378766434 /nfs/dbraw/zinc/76/64/34/378766434.db2.gz UXWXJNGCUSCZSH-CALCHBBNSA-N 3 2 289.467 3.175 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348064452 378774216 /nfs/dbraw/zinc/77/42/16/378774216.db2.gz AFHRYYAOLIHWOI-UONOGXRCSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000274217966 378794062 /nfs/dbraw/zinc/79/40/62/378794062.db2.gz YBQQOTBAQDQYHH-CQSZACIVSA-N 2 2 287.432 3.335 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000346784079 218012684 /nfs/dbraw/zinc/01/26/84/218012684.db2.gz WJXCCCBUBFMMPN-KKXDTOCCSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC)cc1 ZINC000346784079 218012686 /nfs/dbraw/zinc/01/26/86/218012686.db2.gz WJXCCCBUBFMMPN-KKXDTOCCSA-N 2 2 288.435 3.219 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C12CCCCC2 ZINC000346797339 218017422 /nfs/dbraw/zinc/01/74/22/218017422.db2.gz SGYLNMVJFBRTIM-VVLHAWIVSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C12CCCCC2 ZINC000346797339 218017423 /nfs/dbraw/zinc/01/74/23/218017423.db2.gz SGYLNMVJFBRTIM-VVLHAWIVSA-N 2 2 294.483 3.187 20 0 CGADLP c1ccc(NCCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]c1 ZINC000638518489 378823000 /nfs/dbraw/zinc/82/30/00/378823000.db2.gz LWZKYNMJXDUPHO-OAGGEKHMSA-N 2 2 273.424 3.300 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000348183428 378827680 /nfs/dbraw/zinc/82/76/80/378827680.db2.gz BZMVTSCXZGJTSQ-WMLDXEAASA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000348183430 378828050 /nfs/dbraw/zinc/82/80/50/378828050.db2.gz BZMVTSCXZGJTSQ-YOEHRIQHSA-N 2 2 283.419 3.456 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC3(CCCC3)C2)s1 ZINC000348210842 378840647 /nfs/dbraw/zinc/84/06/47/378840647.db2.gz CNOYOTZGQYCUCL-UHFFFAOYSA-N 2 2 293.480 3.361 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC3(CCCC3)C2)s1 ZINC000348210842 378840652 /nfs/dbraw/zinc/84/06/52/378840652.db2.gz CNOYOTZGQYCUCL-UHFFFAOYSA-N 2 2 293.480 3.361 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CC(F)(F)F ZINC000348218417 378843834 /nfs/dbraw/zinc/84/38/34/378843834.db2.gz IYRSVGOSGZLFBJ-LLVKDONJSA-N 2 2 260.303 3.253 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348283360 378883926 /nfs/dbraw/zinc/88/39/26/378883926.db2.gz BWBMJZDTYZQTKM-ZIAGYGMSSA-N 2 2 284.350 3.073 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C)C[NH+](C)C ZINC000348308398 378899279 /nfs/dbraw/zinc/89/92/79/378899279.db2.gz ROHHWPIFLAZVSJ-GOEBONIOSA-N 2 2 260.425 3.221 20 0 CGADLP CCC[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638691149 378873771 /nfs/dbraw/zinc/87/37/71/378873771.db2.gz VVLNVFYBJGPQCY-PBHICJAKSA-N 2 2 287.407 3.338 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000347024997 218096125 /nfs/dbraw/zinc/09/61/25/218096125.db2.gz RUJUETVETIXLJW-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000347024997 218096128 /nfs/dbraw/zinc/09/61/28/218096128.db2.gz RUJUETVETIXLJW-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C ZINC000347102424 218121289 /nfs/dbraw/zinc/12/12/89/218121289.db2.gz MEPYKFFBBZHANY-HOCLYGCPSA-N 2 2 276.424 3.014 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C ZINC000347102424 218121291 /nfs/dbraw/zinc/12/12/91/218121291.db2.gz MEPYKFFBBZHANY-HOCLYGCPSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108398 218124929 /nfs/dbraw/zinc/12/49/29/218124929.db2.gz OJRAJXACWQTBNF-NHYWBVRUSA-N 2 2 276.355 3.274 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108398 218124930 /nfs/dbraw/zinc/12/49/30/218124930.db2.gz OJRAJXACWQTBNF-NHYWBVRUSA-N 2 2 276.355 3.274 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000347151372 218138713 /nfs/dbraw/zinc/13/87/13/218138713.db2.gz AVCBGVSJQCPEHO-UHFFFAOYSA-N 2 2 288.366 3.270 20 0 CGADLP CCC[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370402411 379014298 /nfs/dbraw/zinc/01/42/98/379014298.db2.gz AMLGUTZVTWRJLN-NJAFHUGGSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370402411 379014304 /nfs/dbraw/zinc/01/43/04/379014304.db2.gz AMLGUTZVTWRJLN-NJAFHUGGSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370402411 379014306 /nfs/dbraw/zinc/01/43/06/379014306.db2.gz AMLGUTZVTWRJLN-NJAFHUGGSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370402411 379014317 /nfs/dbraw/zinc/01/43/17/379014317.db2.gz AMLGUTZVTWRJLN-NJAFHUGGSA-N 2 2 289.467 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(F)c1 ZINC000639102738 379027081 /nfs/dbraw/zinc/02/70/81/379027081.db2.gz DZCNUADAWVLDFL-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(F)c1 ZINC000639102738 379027085 /nfs/dbraw/zinc/02/70/85/379027085.db2.gz DZCNUADAWVLDFL-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP C[NH+](CCC[N@@H+](C)C/C=C/c1ccncc1)Cc1ccco1 ZINC000348803789 379059497 /nfs/dbraw/zinc/05/94/97/379059497.db2.gz CZWVQJISUFFQPP-ZZXKWVIFSA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)C/C=C/c1ccncc1)Cc1ccco1 ZINC000348803789 379059500 /nfs/dbraw/zinc/05/95/00/379059500.db2.gz CZWVQJISUFFQPP-ZZXKWVIFSA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](C/C=C/c1ccncc1)CCC[N@H+](C)Cc1ccco1 ZINC000348803789 379059501 /nfs/dbraw/zinc/05/95/01/379059501.db2.gz CZWVQJISUFFQPP-ZZXKWVIFSA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](C/C=C/c1ccncc1)CCC[N@@H+](C)Cc1ccco1 ZINC000348803789 379059505 /nfs/dbraw/zinc/05/95/05/379059505.db2.gz CZWVQJISUFFQPP-ZZXKWVIFSA-N 2 2 299.418 3.142 20 0 CGADLP Cc1scc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000639177544 379095436 /nfs/dbraw/zinc/09/54/36/379095436.db2.gz UUJVDKFEZULTLE-ZDUSSCGKSA-N 2 2 275.421 3.088 20 0 CGADLP Cc1scc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000639177544 379095444 /nfs/dbraw/zinc/09/54/44/379095444.db2.gz UUJVDKFEZULTLE-ZDUSSCGKSA-N 2 2 275.421 3.088 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347453905 218241984 /nfs/dbraw/zinc/24/19/84/218241984.db2.gz KZMGIGPTMKNLJR-DLBZAZTESA-N 2 2 299.418 3.061 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347453905 218241987 /nfs/dbraw/zinc/24/19/87/218241987.db2.gz KZMGIGPTMKNLJR-DLBZAZTESA-N 2 2 299.418 3.061 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000277324405 379131586 /nfs/dbraw/zinc/13/15/86/379131586.db2.gz CHGZUPJNWVIMCC-HIFRSBDPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000277324405 379131598 /nfs/dbraw/zinc/13/15/98/379131598.db2.gz CHGZUPJNWVIMCC-HIFRSBDPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131655 379164738 /nfs/dbraw/zinc/16/47/38/379164738.db2.gz QSPNXZCMHKBXQK-DZGCQCFKSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131655 379164749 /nfs/dbraw/zinc/16/47/49/379164749.db2.gz QSPNXZCMHKBXQK-DZGCQCFKSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349132115 379164905 /nfs/dbraw/zinc/16/49/05/379164905.db2.gz QSPNXZCMHKBXQK-ZFWWWQNUSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349132115 379164911 /nfs/dbraw/zinc/16/49/11/379164911.db2.gz QSPNXZCMHKBXQK-ZFWWWQNUSA-N 2 2 287.382 3.152 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000373039100 379211953 /nfs/dbraw/zinc/21/19/53/379211953.db2.gz ZHYNIJNYXUOJEH-CYBMUJFWSA-N 2 2 295.496 3.357 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000373039100 379211959 /nfs/dbraw/zinc/21/19/59/379211959.db2.gz ZHYNIJNYXUOJEH-CYBMUJFWSA-N 2 2 295.496 3.357 20 0 CGADLP COc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)c2ccccc12 ZINC000349296261 379219474 /nfs/dbraw/zinc/21/94/74/379219474.db2.gz LHPOJHMNPCMCKC-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP COc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)c2ccccc12 ZINC000349296261 379219481 /nfs/dbraw/zinc/21/94/81/379219481.db2.gz LHPOJHMNPCMCKC-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347589553 218282741 /nfs/dbraw/zinc/28/27/41/218282741.db2.gz XYXDYTSRYGKDQP-DZGCQCFKSA-N 2 2 263.429 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347589553 218282744 /nfs/dbraw/zinc/28/27/44/218282744.db2.gz XYXDYTSRYGKDQP-DZGCQCFKSA-N 2 2 263.429 3.338 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000347600726 218287046 /nfs/dbraw/zinc/28/70/46/218287046.db2.gz VYGWXVCDSDDYIO-LSDHHAIUSA-N 2 2 269.392 3.350 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000347600726 218287049 /nfs/dbraw/zinc/28/70/49/218287049.db2.gz VYGWXVCDSDDYIO-LSDHHAIUSA-N 2 2 269.392 3.350 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639516254 379448617 /nfs/dbraw/zinc/44/86/17/379448617.db2.gz GAYOPSYHQSZSMY-GOSISDBHSA-N 2 2 298.434 3.386 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639516254 379448620 /nfs/dbraw/zinc/44/86/20/379448620.db2.gz GAYOPSYHQSZSMY-GOSISDBHSA-N 2 2 298.434 3.386 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c(C)[nH+]1 ZINC000639538841 379462547 /nfs/dbraw/zinc/46/25/47/379462547.db2.gz WENXGHBBWPZYGH-LJQANCHMSA-N 2 2 296.414 3.099 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCc3ccccc3[C@H]2CO)c(C)[nH+]1 ZINC000639538841 379462558 /nfs/dbraw/zinc/46/25/58/379462558.db2.gz WENXGHBBWPZYGH-LJQANCHMSA-N 2 2 296.414 3.099 20 0 CGADLP CC(C)(C)SCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376559483 379580302 /nfs/dbraw/zinc/58/03/02/379580302.db2.gz WEYXQSXFMVZLBP-CQSZACIVSA-N 2 2 280.437 3.066 20 0 CGADLP CC(C)(C)SCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376559483 379580306 /nfs/dbraw/zinc/58/03/06/379580306.db2.gz WEYXQSXFMVZLBP-CQSZACIVSA-N 2 2 280.437 3.066 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc[nH+]1 ZINC000267238189 190314339 /nfs/dbraw/zinc/31/43/39/190314339.db2.gz RIJHTPLWXQVQOA-DOTOQJQBSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc[nH+]1 ZINC000267238189 190314340 /nfs/dbraw/zinc/31/43/40/190314340.db2.gz RIJHTPLWXQVQOA-DOTOQJQBSA-N 2 2 281.403 3.404 20 0 CGADLP CC(C)[N@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267349753 190323107 /nfs/dbraw/zinc/32/31/07/190323107.db2.gz FJAJNMCOEUCUDL-UHFFFAOYSA-N 2 2 296.374 3.271 20 0 CGADLP CC(C)[N@@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267349753 190323108 /nfs/dbraw/zinc/32/31/08/190323108.db2.gz FJAJNMCOEUCUDL-UHFFFAOYSA-N 2 2 296.374 3.271 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000377755211 379733318 /nfs/dbraw/zinc/73/33/18/379733318.db2.gz CZZMAVAGFSDOBQ-ZBFHGGJFSA-N 2 2 299.418 3.407 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000377755211 379733324 /nfs/dbraw/zinc/73/33/24/379733324.db2.gz CZZMAVAGFSDOBQ-ZBFHGGJFSA-N 2 2 299.418 3.407 20 0 CGADLP Clc1cccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000280590642 379741950 /nfs/dbraw/zinc/74/19/50/379741950.db2.gz UHAQEUQBZBFEGJ-UHFFFAOYSA-N 2 2 289.810 3.416 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640220823 379749297 /nfs/dbraw/zinc/74/92/97/379749297.db2.gz YGAYOMRRDRMROD-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640220823 379749302 /nfs/dbraw/zinc/74/93/02/379749302.db2.gz YGAYOMRRDRMROD-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP CC1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000352320615 379764156 /nfs/dbraw/zinc/76/41/56/379764156.db2.gz RQCAZUDXCYIIMG-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000352320615 379764161 /nfs/dbraw/zinc/76/41/61/379764161.db2.gz RQCAZUDXCYIIMG-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352540132 379848478 /nfs/dbraw/zinc/84/84/78/379848478.db2.gz HMZYSBSAQMBEBB-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352540132 379848482 /nfs/dbraw/zinc/84/84/82/379848482.db2.gz HMZYSBSAQMBEBB-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1nnc([C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533250 379819825 /nfs/dbraw/zinc/81/98/25/379819825.db2.gz QBOKJRAGUPKMCF-ZDUSSCGKSA-N 2 2 296.484 3.105 20 0 CGADLP Cc1nnc([C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533250 379819833 /nfs/dbraw/zinc/81/98/33/379819833.db2.gz QBOKJRAGUPKMCF-ZDUSSCGKSA-N 2 2 296.484 3.105 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417036 379897555 /nfs/dbraw/zinc/89/75/55/379897555.db2.gz UKGOOQTZNLPYCH-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417036 379897562 /nfs/dbraw/zinc/89/75/62/379897562.db2.gz UKGOOQTZNLPYCH-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000390561470 379905654 /nfs/dbraw/zinc/90/56/54/379905654.db2.gz KIPMJWLKOHZXKR-BZZMCLGOSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000390561470 379905659 /nfs/dbraw/zinc/90/56/59/379905659.db2.gz KIPMJWLKOHZXKR-BZZMCLGOSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864010 218380995 /nfs/dbraw/zinc/38/09/95/218380995.db2.gz XQPUSWPPURDYFM-CHWSQXEVSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864010 218380998 /nfs/dbraw/zinc/38/09/98/218380998.db2.gz XQPUSWPPURDYFM-CHWSQXEVSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)C[NH+]1CCOCC1 ZINC000352807856 379971814 /nfs/dbraw/zinc/97/18/14/379971814.db2.gz ASZHSKKLGYSOSH-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399054761 379935236 /nfs/dbraw/zinc/93/52/36/379935236.db2.gz WXKMCKLKTQISLH-GYSYKLTISA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344243 379949858 /nfs/dbraw/zinc/94/98/58/379949858.db2.gz JVMUQVUQWVMFFS-JTNHKYCSSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400469256 379951329 /nfs/dbraw/zinc/95/13/29/379951329.db2.gz XDQGAPPNNIJWRK-CFVMTHIKSA-N 2 2 276.424 3.332 20 0 CGADLP CCO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854824 218377989 /nfs/dbraw/zinc/37/79/89/218377989.db2.gz DGKLJFSSXJRNLU-DLBZAZTESA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854824 218377990 /nfs/dbraw/zinc/37/79/90/218377990.db2.gz DGKLJFSSXJRNLU-DLBZAZTESA-N 2 2 290.451 3.458 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000352906166 380031103 /nfs/dbraw/zinc/03/11/03/380031103.db2.gz VXPKFNQNSKPQPL-CWTRNNRKSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000352906166 380031111 /nfs/dbraw/zinc/03/11/11/380031111.db2.gz VXPKFNQNSKPQPL-CWTRNNRKSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000641798287 380111435 /nfs/dbraw/zinc/11/14/35/380111435.db2.gz DYGHQBZXWZIWRT-DXCKQFNASA-N 2 2 299.418 3.126 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000353258081 380192880 /nfs/dbraw/zinc/19/28/80/380192880.db2.gz ZMHRSGCFYGVQJD-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000353258081 380192884 /nfs/dbraw/zinc/19/28/84/380192884.db2.gz ZMHRSGCFYGVQJD-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643066363 380210333 /nfs/dbraw/zinc/21/03/33/380210333.db2.gz NGYBNYBBTPSWLN-SWLSCSKDSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1ccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643066363 380210341 /nfs/dbraw/zinc/21/03/41/380210341.db2.gz NGYBNYBBTPSWLN-SWLSCSKDSA-N 2 2 296.867 3.116 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353615185 380214872 /nfs/dbraw/zinc/21/48/72/380214872.db2.gz YOJLBTIOBINHFJ-DZGCQCFKSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353615185 380214880 /nfs/dbraw/zinc/21/48/80/380214880.db2.gz YOJLBTIOBINHFJ-DZGCQCFKSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@@H]1CCCC[NH+](CC[N@H+]2CCCC[C@@H](C)C2)C1 ZINC000481575654 296307239 /nfs/dbraw/zinc/30/72/39/296307239.db2.gz WUAPYUYSDPYTCK-HZPDHXFCSA-N 2 2 252.446 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+](CC[N@@H+]2CCCC[C@@H](C)C2)C1 ZINC000481575654 296307242 /nfs/dbraw/zinc/30/72/42/296307242.db2.gz WUAPYUYSDPYTCK-HZPDHXFCSA-N 2 2 252.446 3.230 20 0 CGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000353930272 380240689 /nfs/dbraw/zinc/24/06/89/380240689.db2.gz GIVADTPPODUSIK-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000354088430 380317485 /nfs/dbraw/zinc/31/74/85/380317485.db2.gz PKHJSPCYECZIFR-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000354088430 380317492 /nfs/dbraw/zinc/31/74/92/380317492.db2.gz PKHJSPCYECZIFR-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000354088430 380317501 /nfs/dbraw/zinc/31/75/01/380317501.db2.gz PKHJSPCYECZIFR-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000354088430 380317507 /nfs/dbraw/zinc/31/75/07/380317507.db2.gz PKHJSPCYECZIFR-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C(C)(C)OC)c1ccccc1 ZINC000314370689 284825301 /nfs/dbraw/zinc/82/53/01/284825301.db2.gz MITXOBDGKZHEKA-NVXWUHKLSA-N 2 2 292.467 3.473 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506562 380328818 /nfs/dbraw/zinc/32/88/18/380328818.db2.gz BGEGJZRGIKSXIW-LBPRGKRZSA-N 2 2 264.438 3.201 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000643507627 380329656 /nfs/dbraw/zinc/32/96/56/380329656.db2.gz LALOFLFLHVXWJB-OAHLLOKOSA-N 2 2 268.351 3.004 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507631 380329845 /nfs/dbraw/zinc/32/98/45/380329845.db2.gz LDNUNFUQLDFEBB-MRXNPFEDSA-N 2 2 258.409 3.141 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1cccc2ccccc21 ZINC000643517212 380335903 /nfs/dbraw/zinc/33/59/03/380335903.db2.gz LFPMVOZUYPQEBE-GOSISDBHSA-N 2 2 286.419 3.117 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000414679118 380368863 /nfs/dbraw/zinc/36/88/63/380368863.db2.gz LCZJSUNPRINOGO-LSDHHAIUSA-N 2 2 296.480 3.103 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000414679118 380368868 /nfs/dbraw/zinc/36/88/68/380368868.db2.gz LCZJSUNPRINOGO-LSDHHAIUSA-N 2 2 296.480 3.103 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414690044 380374428 /nfs/dbraw/zinc/37/44/28/380374428.db2.gz HKYFNMIWGYYDAR-HOCLYGCPSA-N 2 2 276.424 3.206 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414690044 380374434 /nfs/dbraw/zinc/37/44/34/380374434.db2.gz HKYFNMIWGYYDAR-HOCLYGCPSA-N 2 2 276.424 3.206 20 0 CGADLP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414704666 380382039 /nfs/dbraw/zinc/38/20/39/380382039.db2.gz KSFSKSNAHHCWBH-GXTWGEPZSA-N 2 2 295.496 3.388 20 0 CGADLP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414704666 380382041 /nfs/dbraw/zinc/38/20/41/380382041.db2.gz KSFSKSNAHHCWBH-GXTWGEPZSA-N 2 2 295.496 3.388 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)nc1 ZINC000643522195 380337607 /nfs/dbraw/zinc/33/76/07/380337607.db2.gz JMFCNRMSRABTPC-AEFFLSMTSA-N 2 2 299.393 3.042 20 0 CGADLP CCCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643537174 380353929 /nfs/dbraw/zinc/35/39/29/380353929.db2.gz AEGKNBMBPMFYNH-JYJNAYRXSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643538186 380356450 /nfs/dbraw/zinc/35/64/50/380356450.db2.gz APIHKWBWJVLFQP-PKIAMQTDSA-N 2 2 284.806 3.122 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354180938 380356822 /nfs/dbraw/zinc/35/68/22/380356822.db2.gz KDXVDQKYODIJEW-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354180938 380356829 /nfs/dbraw/zinc/35/68/29/380356829.db2.gz KDXVDQKYODIJEW-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414819377 380429447 /nfs/dbraw/zinc/42/94/47/380429447.db2.gz YNXMGPOANLARAJ-SECBINFHSA-N 2 2 280.359 3.374 20 0 CGADLP CCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCOCC1 ZINC000354426439 380434295 /nfs/dbraw/zinc/43/42/95/380434295.db2.gz USXHJVSVIUVSKK-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1C ZINC000414827875 380438484 /nfs/dbraw/zinc/43/84/84/380438484.db2.gz HZGMQYXWDIYPTI-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)C1CCCCC1 ZINC000414830717 380439964 /nfs/dbraw/zinc/43/99/64/380439964.db2.gz BKCCSEROMGWQAZ-OAHLLOKOSA-N 2 2 286.341 3.101 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414830992 380440419 /nfs/dbraw/zinc/44/04/19/380440419.db2.gz PBDSDCCMENLSKY-UHFFFAOYSA-N 2 2 292.329 3.066 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000644536551 380441702 /nfs/dbraw/zinc/44/17/02/380441702.db2.gz GFDVMWHHUKCCOY-TXCZRRACSA-N 2 2 283.419 3.338 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414856359 380458079 /nfs/dbraw/zinc/45/80/79/380458079.db2.gz YQLHIJIVBCSHRF-AWEZNQCLSA-N 2 2 295.496 3.438 20 0 CGADLP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)c(Cl)c1 ZINC000414840370 380448016 /nfs/dbraw/zinc/44/80/16/380448016.db2.gz KBSXIRVNCMVPTL-UHFFFAOYSA-N 2 2 282.815 3.100 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc3c(c2)COC3)c[nH+]1 ZINC000354467036 380450099 /nfs/dbraw/zinc/45/00/99/380450099.db2.gz RNEMBGJCKULXSL-UHFFFAOYSA-N 2 2 282.387 3.143 20 0 CGADLP CCSc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414774473 380398657 /nfs/dbraw/zinc/39/86/57/380398657.db2.gz BDVVXORZLBXHOT-UHFFFAOYSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414774473 380398662 /nfs/dbraw/zinc/39/86/62/380398662.db2.gz BDVVXORZLBXHOT-UHFFFAOYSA-N 2 2 264.438 3.112 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354330554 380402518 /nfs/dbraw/zinc/40/25/18/380402518.db2.gz ASDIOSPWTVAYBF-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354330554 380402529 /nfs/dbraw/zinc/40/25/29/380402529.db2.gz ASDIOSPWTVAYBF-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP Cc1noc(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414853845 380455720 /nfs/dbraw/zinc/45/57/20/380455720.db2.gz YHEVOFOEVJZDIU-KRWDZBQOSA-N 2 2 287.407 3.204 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1F ZINC000414808293 380419939 /nfs/dbraw/zinc/41/99/39/380419939.db2.gz FAUGUDDMJVQUCG-LBPRGKRZSA-N 2 2 258.768 3.086 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414807937 380421006 /nfs/dbraw/zinc/42/10/06/380421006.db2.gz DOFLIKKOUNKMCU-GFCCVEGCSA-N 2 2 267.442 3.018 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414921950 380490183 /nfs/dbraw/zinc/49/01/83/380490183.db2.gz FKYNLKSUJCOWOJ-TVQRCGJNSA-N 2 2 273.207 3.081 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc2cccnc12 ZINC000414932547 380493362 /nfs/dbraw/zinc/49/33/62/380493362.db2.gz SVVBMUFOMISQLY-KRWDZBQOSA-N 2 2 297.446 3.411 20 0 CGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000415079241 380506627 /nfs/dbraw/zinc/50/66/27/380506627.db2.gz HUMHPUHRFVCAHX-BPQIPLTHSA-N 2 2 294.398 3.203 20 0 CGADLP Cc1ccc(C[N@H+](CCO)CCCc2ccc(C)[nH+]c2)cc1 ZINC000354656920 380516575 /nfs/dbraw/zinc/51/65/75/380516575.db2.gz YIJICNTUIYHYAC-UHFFFAOYSA-N 2 2 298.430 3.126 20 0 CGADLP Cc1ccc(C[N@@H+](CCO)CCCc2ccc(C)[nH+]c2)cc1 ZINC000354656920 380516582 /nfs/dbraw/zinc/51/65/82/380516582.db2.gz YIJICNTUIYHYAC-UHFFFAOYSA-N 2 2 298.430 3.126 20 0 CGADLP CC(C)c1cnc(C[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000414860332 380461662 /nfs/dbraw/zinc/46/16/62/380461662.db2.gz PJXGJIIHQIFMQL-UHFFFAOYSA-N 2 2 281.469 3.408 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]c2c(C)cccn12 ZINC000414868628 380467014 /nfs/dbraw/zinc/46/70/14/380467014.db2.gz PBIPKYRYEXMVAC-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414876740 380469733 /nfs/dbraw/zinc/46/97/33/380469733.db2.gz WHSONHGXCCDWDM-UHFFFAOYSA-N 2 2 254.443 3.135 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414877855 380472188 /nfs/dbraw/zinc/47/21/88/380472188.db2.gz YMRBCBOBGOSEIM-UHFFFAOYSA-N 2 2 298.430 3.451 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCCCc3[nH+]cccc3C)c2c1C ZINC000645251829 380633151 /nfs/dbraw/zinc/63/31/51/380633151.db2.gz VNLDPWPJKBUWGC-UHFFFAOYSA-N 2 2 295.390 3.323 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148929 380598685 /nfs/dbraw/zinc/59/86/85/380598685.db2.gz JMNDUWQHNMNYQP-DZGCQCFKSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148929 380598693 /nfs/dbraw/zinc/59/86/93/380598693.db2.gz JMNDUWQHNMNYQP-DZGCQCFKSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417346050 380601214 /nfs/dbraw/zinc/60/12/14/380601214.db2.gz TVOKHOWWLQVRRQ-RFQIPJPRSA-N 2 2 287.432 3.041 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(C(F)F)CC2)n1-c1ccccc1 ZINC000355155536 380602153 /nfs/dbraw/zinc/60/21/53/380602153.db2.gz QEYHSKWYGAPOKO-UHFFFAOYSA-N 2 2 291.345 3.316 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000417359549 380608011 /nfs/dbraw/zinc/60/80/11/380608011.db2.gz WDXPVWKIVUTNOL-IAGOWNOFSA-N 2 2 272.436 3.082 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417369760 380611135 /nfs/dbraw/zinc/61/11/35/380611135.db2.gz SNMPYOXFNCAAMI-IAGOWNOFSA-N 2 2 270.420 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417369760 380611140 /nfs/dbraw/zinc/61/11/40/380611140.db2.gz SNMPYOXFNCAAMI-IAGOWNOFSA-N 2 2 270.420 3.041 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197376 380612914 /nfs/dbraw/zinc/61/29/14/380612914.db2.gz QEFHURBQZGCBLW-HOCLYGCPSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197376 380612919 /nfs/dbraw/zinc/61/29/19/380612919.db2.gz QEFHURBQZGCBLW-HOCLYGCPSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000418119996 380704003 /nfs/dbraw/zinc/70/40/03/380704003.db2.gz HHVLRWWOZMSHMS-FRRDWIJNSA-N 2 2 275.421 3.410 20 0 CGADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000418119996 380704007 /nfs/dbraw/zinc/70/40/07/380704007.db2.gz HHVLRWWOZMSHMS-FRRDWIJNSA-N 2 2 275.421 3.410 20 0 CGADLP CCO[C@H]1C[C@H]([N@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815856 380741206 /nfs/dbraw/zinc/74/12/06/380741206.db2.gz XRQNYXSOTWOVBT-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815856 380741210 /nfs/dbraw/zinc/74/12/10/380741210.db2.gz XRQNYXSOTWOVBT-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCOC1 ZINC000356912122 380935184 /nfs/dbraw/zinc/93/51/84/380935184.db2.gz ZMWCGAJBQBMCMR-UXLLHSPISA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781194 207064948 /nfs/dbraw/zinc/06/49/48/207064948.db2.gz JONNUTTXYXLBRI-ZYHUDNBSSA-N 2 2 283.297 3.107 20 0 CGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781194 207064952 /nfs/dbraw/zinc/06/49/52/207064952.db2.gz JONNUTTXYXLBRI-ZYHUDNBSSA-N 2 2 283.297 3.107 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000357209188 381066847 /nfs/dbraw/zinc/06/68/47/381066847.db2.gz AGMLHWJHAXCMMV-GFCCVEGCSA-N 2 2 293.798 3.121 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000357209188 381066852 /nfs/dbraw/zinc/06/68/52/381066852.db2.gz AGMLHWJHAXCMMV-GFCCVEGCSA-N 2 2 293.798 3.121 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](COCC(C)C)c2ccco2)CC1 ZINC000360165469 381464708 /nfs/dbraw/zinc/46/47/08/381464708.db2.gz YHAXPJYDBZVBQV-INIZCTEOSA-N 2 2 294.439 3.067 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361395409 381728818 /nfs/dbraw/zinc/72/88/18/381728818.db2.gz NZUZRJXNNSPKMB-QZTJIDSGSA-N 2 2 293.414 3.068 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361514037 381782008 /nfs/dbraw/zinc/78/20/08/381782008.db2.gz JVJYYFZVLIRZFH-UHFFFAOYSA-N 2 2 294.402 3.052 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361514037 381782013 /nfs/dbraw/zinc/78/20/13/381782013.db2.gz JVJYYFZVLIRZFH-UHFFFAOYSA-N 2 2 294.402 3.052 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361484000 381767950 /nfs/dbraw/zinc/76/79/50/381767950.db2.gz HDBRYYOUQZRSGU-KGLIPLIRSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000361896553 381874278 /nfs/dbraw/zinc/87/42/78/381874278.db2.gz JYHIINVLFHEGIC-IKWCTNDRSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000361896553 381874283 /nfs/dbraw/zinc/87/42/83/381874283.db2.gz JYHIINVLFHEGIC-IKWCTNDRSA-N 2 2 278.362 3.180 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000227086735 542293361 /nfs/dbraw/zinc/29/33/61/542293361.db2.gz LKILQJAONVWRPQ-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000227086735 542293363 /nfs/dbraw/zinc/29/33/63/542293363.db2.gz LKILQJAONVWRPQ-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc3ncsc3c2)C1 ZINC000362700848 382101268 /nfs/dbraw/zinc/10/12/68/382101268.db2.gz WCCLRUFJNDAUBE-YWPYICTPSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc3ncsc3c2)C1 ZINC000362700848 382101274 /nfs/dbraw/zinc/10/12/74/382101274.db2.gz WCCLRUFJNDAUBE-YWPYICTPSA-N 2 2 289.448 3.287 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235205140 542311535 /nfs/dbraw/zinc/31/15/35/542311535.db2.gz KWSWHPLAKNQVMG-BXUZGUMPSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000235524144 542312298 /nfs/dbraw/zinc/31/22/98/542312298.db2.gz ANVLHTMTQWUJKN-FZMZJTMJSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237439986 542317290 /nfs/dbraw/zinc/31/72/90/542317290.db2.gz BUVZKQIVPLXNJN-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237439986 542317293 /nfs/dbraw/zinc/31/72/93/542317293.db2.gz BUVZKQIVPLXNJN-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(F)(F)F)[nH+]1 ZINC000369898760 382401062 /nfs/dbraw/zinc/40/10/62/382401062.db2.gz BDHOUUPZDQZXCC-LBPRGKRZSA-N 2 2 287.329 3.219 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(F)(F)F)[nH+]1 ZINC000369898760 382401069 /nfs/dbraw/zinc/40/10/69/382401069.db2.gz BDHOUUPZDQZXCC-LBPRGKRZSA-N 2 2 287.329 3.219 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251166246 542345641 /nfs/dbraw/zinc/34/56/41/542345641.db2.gz OKCMJUNWFIRTJZ-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251166246 542345643 /nfs/dbraw/zinc/34/56/43/542345643.db2.gz OKCMJUNWFIRTJZ-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412888 542350101 /nfs/dbraw/zinc/35/01/01/542350101.db2.gz AZFGIQPJHHQRIZ-HACGYAERSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412888 542350105 /nfs/dbraw/zinc/35/01/05/542350105.db2.gz AZFGIQPJHHQRIZ-HACGYAERSA-N 2 2 294.389 3.490 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000411963093 533006612 /nfs/dbraw/zinc/00/66/12/533006612.db2.gz BWQCGVYBPPVGMY-KDOFPFPSSA-N 2 2 299.418 3.166 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427854168 533005989 /nfs/dbraw/zinc/00/59/89/533005989.db2.gz PVFDAIPCZGSNAJ-JSGCOSHPSA-N 2 2 287.432 3.271 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770447 220317186 /nfs/dbraw/zinc/31/71/86/220317186.db2.gz UWFPAGLUQVOQJX-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770447 220317189 /nfs/dbraw/zinc/31/71/89/220317189.db2.gz UWFPAGLUQVOQJX-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770447 220317192 /nfs/dbraw/zinc/31/71/92/220317192.db2.gz UWFPAGLUQVOQJX-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770447 220317194 /nfs/dbraw/zinc/31/71/94/220317194.db2.gz UWFPAGLUQVOQJX-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CC4CCC3CC4)c[nH+]c12 ZINC000353805970 220340954 /nfs/dbraw/zinc/34/09/54/220340954.db2.gz PAKLTDMSJGBDNR-ZBCRRDGASA-N 2 2 269.392 3.311 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOC1CCCCC1 ZINC000289285482 197284500 /nfs/dbraw/zinc/28/45/00/197284500.db2.gz PALZWBTVPRSHDK-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2[nH]1 ZINC000353823950 220351298 /nfs/dbraw/zinc/35/12/98/220351298.db2.gz MTWMEHUGNANCMY-KZULUSFZSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc2[nH]1 ZINC000353823950 220351299 /nfs/dbraw/zinc/35/12/99/220351299.db2.gz MTWMEHUGNANCMY-KZULUSFZSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2[nH]1 ZINC000353823953 220350126 /nfs/dbraw/zinc/35/01/26/220350126.db2.gz MTWMEHUGNANCMY-XIKOKIGWSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc2[nH]1 ZINC000353823953 220350129 /nfs/dbraw/zinc/35/01/29/220350129.db2.gz MTWMEHUGNANCMY-XIKOKIGWSA-N 2 2 283.419 3.049 20 0 CGADLP CCc1ccc([C@@H](O)C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289105694 197236139 /nfs/dbraw/zinc/23/61/39/197236139.db2.gz CLODVWJUIBYXEM-IBGZPJMESA-N 2 2 298.430 3.208 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423231965 533110309 /nfs/dbraw/zinc/11/03/09/533110309.db2.gz BNAFLKRSXJXYTQ-DYVFJYSZSA-N 2 2 270.376 3.046 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328465360 542443796 /nfs/dbraw/zinc/44/37/96/542443796.db2.gz JAYLBEXUPHJACK-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328465360 542443799 /nfs/dbraw/zinc/44/37/99/542443799.db2.gz JAYLBEXUPHJACK-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423314106 533195020 /nfs/dbraw/zinc/19/50/20/533195020.db2.gz GOHATIYTZZXGIP-RTBURBONSA-N 2 2 296.414 3.112 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348089260 542513619 /nfs/dbraw/zinc/51/36/19/542513619.db2.gz SNNDTLVAOKANBL-RCCFBDPRSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348089260 542513622 /nfs/dbraw/zinc/51/36/22/542513622.db2.gz SNNDTLVAOKANBL-RCCFBDPRSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1cc2cc(C[NH2+]Cc3c[nH+]cn3C)oc2cc1C ZINC000352454480 542552945 /nfs/dbraw/zinc/55/29/45/542552945.db2.gz UMDUNCHLVMTWHO-UHFFFAOYSA-N 2 2 269.348 3.073 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179393461 260045963 /nfs/dbraw/zinc/04/59/63/260045963.db2.gz GTKANSUIIUXQBT-ZBFHGGJFSA-N 2 2 258.409 3.229 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000423290166 533352212 /nfs/dbraw/zinc/35/22/12/533352212.db2.gz ZHSGVNZSYWMVAN-CYBMUJFWSA-N 2 2 285.391 3.262 20 0 CGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1Cl ZINC000423524688 533384536 /nfs/dbraw/zinc/38/45/36/533384536.db2.gz JVUTYUBGMVHVNZ-SNVBAGLBSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408121 533511606 /nfs/dbraw/zinc/51/16/06/533511606.db2.gz WZVYSNROMJMLQY-OSLDLMBLSA-N 2 2 268.404 3.474 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccccc2)C1 ZINC000389326270 542608783 /nfs/dbraw/zinc/60/87/83/542608783.db2.gz HBZQJLLPORSYLQ-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccccc2)C1 ZINC000389326270 542608785 /nfs/dbraw/zinc/60/87/85/542608785.db2.gz HBZQJLLPORSYLQ-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000390561468 542611278 /nfs/dbraw/zinc/61/12/78/542611278.db2.gz KIPMJWLKOHZXKR-BGTYHANMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000390561468 542611280 /nfs/dbraw/zinc/61/12/80/542611280.db2.gz KIPMJWLKOHZXKR-BGTYHANMSA-N 2 2 272.436 3.285 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000390584335 542611484 /nfs/dbraw/zinc/61/14/84/542611484.db2.gz QGYKKOZJYWSYSQ-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000390584335 542611488 /nfs/dbraw/zinc/61/14/88/542611488.db2.gz QGYKKOZJYWSYSQ-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000403527697 542623975 /nfs/dbraw/zinc/62/39/75/542623975.db2.gz NDGYSHFJVDYXEN-ALYAQQCSSA-N 2 2 262.441 3.029 20 0 CGADLP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000403527697 542623980 /nfs/dbraw/zinc/62/39/80/542623980.db2.gz NDGYSHFJVDYXEN-ALYAQQCSSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000063191465 392136298 /nfs/dbraw/zinc/13/62/98/392136298.db2.gz YCZQOLOUHBVVAF-BXUZGUMPSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000063191465 392136304 /nfs/dbraw/zinc/13/63/04/392136304.db2.gz YCZQOLOUHBVVAF-BXUZGUMPSA-N 2 2 252.789 3.042 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n1C ZINC000070143070 392176879 /nfs/dbraw/zinc/17/68/79/392176879.db2.gz LPOBMKVLCAMOFP-LSDHHAIUSA-N 2 2 292.471 3.181 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285804588 392331890 /nfs/dbraw/zinc/33/18/90/392331890.db2.gz VLBRGYOHLIKARG-HOCLYGCPSA-N 2 2 257.381 3.321 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447598248 542671193 /nfs/dbraw/zinc/67/11/93/542671193.db2.gz GZAKJSLNMHNNRC-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447598248 542671199 /nfs/dbraw/zinc/67/11/99/542671199.db2.gz GZAKJSLNMHNNRC-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000364848497 392440240 /nfs/dbraw/zinc/44/02/40/392440240.db2.gz AXDSVIFGDXHTNE-HUUCEWRRSA-N 2 2 250.430 3.125 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000364848497 392440247 /nfs/dbraw/zinc/44/02/47/392440247.db2.gz AXDSVIFGDXHTNE-HUUCEWRRSA-N 2 2 250.430 3.125 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287600362 392401690 /nfs/dbraw/zinc/40/16/90/392401690.db2.gz RXYRCPXAZHMTLP-RYUDHWBXSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287600362 392401694 /nfs/dbraw/zinc/40/16/94/392401694.db2.gz RXYRCPXAZHMTLP-RYUDHWBXSA-N 2 2 282.428 3.120 20 0 CGADLP c1cn2c([nH+]1)[C@@H](Nc1ccc([NH+]3CCCCC3)cc1)CC2 ZINC000293873962 392529349 /nfs/dbraw/zinc/52/93/49/392529349.db2.gz FBZRZEDQCGMPOB-INIZCTEOSA-N 2 2 282.391 3.430 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000152153132 392498728 /nfs/dbraw/zinc/49/87/28/392498728.db2.gz KZKOLCGMAFFCLQ-CYBMUJFWSA-N 2 2 264.388 3.178 20 0 CGADLP Cc1ccc([C@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000297963331 392572381 /nfs/dbraw/zinc/57/23/81/392572381.db2.gz WOQVMBMWPMNWMQ-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc([C@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000297963331 392572389 /nfs/dbraw/zinc/57/23/89/392572389.db2.gz WOQVMBMWPMNWMQ-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccco1 ZINC000158679303 392573769 /nfs/dbraw/zinc/57/37/69/392573769.db2.gz YMISRLYKVRSNCI-KKUMJFAQSA-N 2 2 264.413 3.298 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000163298594 392604165 /nfs/dbraw/zinc/60/41/65/392604165.db2.gz BJKOOSJNNMDJMD-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000163298594 392604168 /nfs/dbraw/zinc/60/41/68/392604168.db2.gz BJKOOSJNNMDJMD-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncs1 ZINC000163250725 392605039 /nfs/dbraw/zinc/60/50/39/392605039.db2.gz XYNXASAZDCBKNH-NSHDSACASA-N 2 2 267.442 3.057 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000157730616 392550844 /nfs/dbraw/zinc/55/08/44/392550844.db2.gz COMLQARVYZRYMY-JFGNBEQYSA-N 2 2 284.856 3.461 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)CC[N@H+]1C ZINC000157730616 392550852 /nfs/dbraw/zinc/55/08/52/392550852.db2.gz COMLQARVYZRYMY-JFGNBEQYSA-N 2 2 284.856 3.461 20 0 CGADLP Cc1occc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000321079448 392672962 /nfs/dbraw/zinc/67/29/62/392672962.db2.gz ORZRHPMYQXDBGM-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP Cc1occc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000321079448 392672970 /nfs/dbraw/zinc/67/29/70/392672970.db2.gz ORZRHPMYQXDBGM-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccncc1 ZINC000647281814 392633561 /nfs/dbraw/zinc/63/35/61/392633561.db2.gz JLSCRVBLUIVYDJ-QGZVFWFLSA-N 2 2 275.440 3.244 20 0 CGADLP COc1ccc([C@@H](CC(C)C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000647280814 392633591 /nfs/dbraw/zinc/63/35/91/392633591.db2.gz CSCAMGLTLOXCCP-QGZVFWFLSA-N 2 2 287.407 3.269 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000647290323 392640363 /nfs/dbraw/zinc/64/03/63/392640363.db2.gz BYYKKSAAVFLOFZ-RDJZCZTQSA-N 2 2 275.440 3.100 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000647290323 392640365 /nfs/dbraw/zinc/64/03/65/392640365.db2.gz BYYKKSAAVFLOFZ-RDJZCZTQSA-N 2 2 275.440 3.100 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479848 392735431 /nfs/dbraw/zinc/73/54/31/392735431.db2.gz WNRTXBIQESITJN-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479848 392735433 /nfs/dbraw/zinc/73/54/33/392735433.db2.gz WNRTXBIQESITJN-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccsc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482621 392736613 /nfs/dbraw/zinc/73/66/13/392736613.db2.gz UIWXYWCATZGPPT-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccsc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482621 392736621 /nfs/dbraw/zinc/73/66/21/392736621.db2.gz UIWXYWCATZGPPT-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000647497615 392740842 /nfs/dbraw/zinc/74/08/42/392740842.db2.gz NXCUUBXOZOWCFI-IAQYHMDHSA-N 2 2 284.806 3.347 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000647497615 392740843 /nfs/dbraw/zinc/74/08/43/392740843.db2.gz NXCUUBXOZOWCFI-IAQYHMDHSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)s1 ZINC000334686409 392745313 /nfs/dbraw/zinc/74/53/13/392745313.db2.gz LRVCOBGJMKJLLP-PWSUYJOCSA-N 2 2 275.421 3.296 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)s1 ZINC000334686409 392745320 /nfs/dbraw/zinc/74/53/20/392745320.db2.gz LRVCOBGJMKJLLP-PWSUYJOCSA-N 2 2 275.421 3.296 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1OC(F)F ZINC000647549945 392763969 /nfs/dbraw/zinc/76/39/69/392763969.db2.gz YFDPDBYETXIAEE-SCRDCRAPSA-N 2 2 298.377 3.327 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC(C)(C)C3)cn21 ZINC000647363691 392707806 /nfs/dbraw/zinc/70/78/06/392707806.db2.gz HIMWSJXIOXRCHG-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CCc3ccco3)cn21 ZINC000647364601 392707934 /nfs/dbraw/zinc/70/79/34/392707934.db2.gz FYNYUVBANVIMEQ-AWEZNQCLSA-N 2 2 297.402 3.389 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@@H]3C)cn21 ZINC000647364974 392708964 /nfs/dbraw/zinc/70/89/64/392708964.db2.gz UNLVWFLAWNUWFO-XJKSGUPXSA-N 2 2 271.408 3.354 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+]1CCCCC1 ZINC000510649414 392806153 /nfs/dbraw/zinc/80/61/53/392806153.db2.gz HRUHIRQWBWOPOR-JKSUJKDBSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1csc(C)c1 ZINC000647804723 392806646 /nfs/dbraw/zinc/80/66/46/392806646.db2.gz WWSCFISLYWXDGB-YUTCNCBUSA-N 2 2 252.427 3.238 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C)c1F ZINC000335785182 392817267 /nfs/dbraw/zinc/81/72/67/392817267.db2.gz ZBROMBMMJUAWMA-HIFRSBDPSA-N 2 2 287.382 3.305 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000382039487 392916523 /nfs/dbraw/zinc/91/65/23/392916523.db2.gz DDTQUSQTGZBFCF-LMPOIIKSSA-N 2 2 261.413 3.078 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691526 542732529 /nfs/dbraw/zinc/73/25/29/542732529.db2.gz VFQONNKKRRJOBE-MSOLQXFVSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000340244393 392968710 /nfs/dbraw/zinc/96/87/10/392968710.db2.gz HQRJNZAYKMPARO-GJZGRUSLSA-N 2 2 282.472 3.185 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000340244393 392968713 /nfs/dbraw/zinc/96/87/13/392968713.db2.gz HQRJNZAYKMPARO-GJZGRUSLSA-N 2 2 282.472 3.185 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]CC2CCCCCC2)CC1 ZINC000545857878 393010292 /nfs/dbraw/zinc/01/02/92/393010292.db2.gz XHZQVHZZDHDJDF-UHFFFAOYSA-N 2 2 250.430 3.198 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]CC2CCCCCC2)CC1 ZINC000545857878 393010303 /nfs/dbraw/zinc/01/03/03/393010303.db2.gz XHZQVHZZDHDJDF-UHFFFAOYSA-N 2 2 250.430 3.198 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399974 393027016 /nfs/dbraw/zinc/02/70/16/393027016.db2.gz ANQYCKVZUGSUFY-NBOOPKSLSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399974 393027021 /nfs/dbraw/zinc/02/70/21/393027021.db2.gz ANQYCKVZUGSUFY-NBOOPKSLSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000546934489 393084281 /nfs/dbraw/zinc/08/42/81/393084281.db2.gz YDBDTKQWWJTIFH-ZOBUZTSGSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000546934489 393084287 /nfs/dbraw/zinc/08/42/87/393084287.db2.gz YDBDTKQWWJTIFH-ZOBUZTSGSA-N 2 2 272.436 3.437 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000547279102 393101509 /nfs/dbraw/zinc/10/15/09/393101509.db2.gz IRBVBZTVFAHQPM-QGZVFWFLSA-N 2 2 272.436 3.249 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000547279102 393101516 /nfs/dbraw/zinc/10/15/16/393101516.db2.gz IRBVBZTVFAHQPM-QGZVFWFLSA-N 2 2 272.436 3.249 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220625 393054162 /nfs/dbraw/zinc/05/41/62/393054162.db2.gz ZEAPTYQQEYTGNR-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220625 393054166 /nfs/dbraw/zinc/05/41/66/393054166.db2.gz ZEAPTYQQEYTGNR-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220625 393054169 /nfs/dbraw/zinc/05/41/69/393054169.db2.gz ZEAPTYQQEYTGNR-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220625 393054174 /nfs/dbraw/zinc/05/41/74/393054174.db2.gz ZEAPTYQQEYTGNR-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414955207 393063676 /nfs/dbraw/zinc/06/36/76/393063676.db2.gz LWEUGPLUZJFSFA-CYBMUJFWSA-N 2 2 289.448 3.206 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000414957566 393064503 /nfs/dbraw/zinc/06/45/03/393064503.db2.gz QDCYCOKLZYTISK-BEFAXECRSA-N 2 2 280.415 3.267 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414962997 393069270 /nfs/dbraw/zinc/06/92/70/393069270.db2.gz XBOHPHMDSYZUES-NOZJJQNGSA-N 2 2 273.207 3.224 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414976650 393075045 /nfs/dbraw/zinc/07/50/45/393075045.db2.gz ISWDMZDHOOXHDQ-INIZCTEOSA-N 2 2 272.367 3.320 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000548036545 393165874 /nfs/dbraw/zinc/16/58/74/393165874.db2.gz ZIAUURJHWBSHII-UHFFFAOYSA-N 2 2 298.415 3.174 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000415056506 393117854 /nfs/dbraw/zinc/11/78/54/393117854.db2.gz QUHXCZGGOIPWGT-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP c1nc(C[NH2+]CCC[NH2+]C2CC2)sc1-c1ccccc1 ZINC000415065601 393124603 /nfs/dbraw/zinc/12/46/03/393124603.db2.gz GQBIJKYIYPLJSW-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)cc1 ZINC000415068851 393126472 /nfs/dbraw/zinc/12/64/72/393126472.db2.gz RNNOKNGKUBTYHK-LJQANCHMSA-N 2 2 298.430 3.437 20 0 CGADLP FC(F)C[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000270943526 393241702 /nfs/dbraw/zinc/24/17/02/393241702.db2.gz KEVHBONSWULYMG-UHFFFAOYSA-N 2 2 291.345 3.012 20 0 CGADLP FC(F)C[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000270943526 393241710 /nfs/dbraw/zinc/24/17/10/393241710.db2.gz KEVHBONSWULYMG-UHFFFAOYSA-N 2 2 291.345 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cn[nH]c1 ZINC000271446885 393250429 /nfs/dbraw/zinc/25/04/29/393250429.db2.gz FTZWGINTCDPLQA-MPGHIAIKSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cn[nH]c1 ZINC000271446885 393250433 /nfs/dbraw/zinc/25/04/33/393250433.db2.gz FTZWGINTCDPLQA-MPGHIAIKSA-N 2 2 298.434 3.113 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CO[C@@H](C)C3)ccc2n1C1CC1 ZINC000647209400 393389993 /nfs/dbraw/zinc/38/99/93/393389993.db2.gz HHHSOMJUENRVTP-JSGCOSHPSA-N 2 2 299.418 3.201 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+](C)C)CC1)CC3 ZINC000417355427 393349268 /nfs/dbraw/zinc/34/92/68/393349268.db2.gz NPBZCHMRGSOAQA-AWEZNQCLSA-N 2 2 297.446 3.017 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C1 ZINC000474882684 393353979 /nfs/dbraw/zinc/35/39/79/393353979.db2.gz MNPBJHJYFDKMFN-FGTMMUONSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H](C[NH2+]CCc1ccc(F)cc1Cl)[N@H+](C)C1CC1 ZINC000356191198 393375044 /nfs/dbraw/zinc/37/50/44/393375044.db2.gz JKZIACZHOZHNFR-LLVKDONJSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](C[NH2+]CCc1ccc(F)cc1Cl)[N@@H+](C)C1CC1 ZINC000356191198 393375048 /nfs/dbraw/zinc/37/50/48/393375048.db2.gz JKZIACZHOZHNFR-LLVKDONJSA-N 2 2 284.806 3.094 20 0 CGADLP CC(C)Cn1nccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000647188732 393375476 /nfs/dbraw/zinc/37/54/76/393375476.db2.gz HKZDSMDVCAWYIH-UHFFFAOYSA-N 2 2 294.487 3.138 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000649417392 393417169 /nfs/dbraw/zinc/41/71/69/393417169.db2.gz IILSXTDIEQAANT-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000649417392 393417172 /nfs/dbraw/zinc/41/71/72/393417172.db2.gz IILSXTDIEQAANT-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420387167 393480606 /nfs/dbraw/zinc/48/06/06/393480606.db2.gz JVUKCISHTBGRDK-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420387167 393480609 /nfs/dbraw/zinc/48/06/09/393480609.db2.gz JVUKCISHTBGRDK-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000479859863 393434415 /nfs/dbraw/zinc/43/44/15/393434415.db2.gz DBEVBSPALHVJCZ-SJORKVTESA-N 2 2 262.441 3.184 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481962872 393438878 /nfs/dbraw/zinc/43/88/78/393438878.db2.gz QNSXARWAXQFJDF-ZWKOTPCHSA-N 2 2 292.467 3.393 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000420399466 393481660 /nfs/dbraw/zinc/48/16/60/393481660.db2.gz HYKAJOOKPGPMGH-OCCSQVGLSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000420399466 393481666 /nfs/dbraw/zinc/48/16/66/393481666.db2.gz HYKAJOOKPGPMGH-OCCSQVGLSA-N 2 2 293.480 3.217 20 0 CGADLP CC[C@@H](OCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000649486479 393446636 /nfs/dbraw/zinc/44/66/36/393446636.db2.gz OCZCLSDJJGPKFU-GOSISDBHSA-N 2 2 290.451 3.180 20 0 CGADLP Fc1ccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)[nH]c2c1 ZINC000488293427 393482360 /nfs/dbraw/zinc/48/23/60/393482360.db2.gz GCNQJUVZKABRKC-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359636 393472885 /nfs/dbraw/zinc/47/28/85/393472885.db2.gz GFRXHGGQYZMIJD-UHIISALHSA-N 2 2 286.341 3.182 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1nc2ccccc2s1)C1CCCCC1 ZINC000420360706 393474364 /nfs/dbraw/zinc/47/43/64/393474364.db2.gz HJBUDTUCYVTMIJ-AWEZNQCLSA-N 2 2 289.448 3.294 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000420362144 393474989 /nfs/dbraw/zinc/47/49/89/393474989.db2.gz AMFJRDANCIRZFS-INIZCTEOSA-N 2 2 289.810 3.024 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429551150 393478059 /nfs/dbraw/zinc/47/80/59/393478059.db2.gz DFJZWORNTVMLCS-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429551150 393478064 /nfs/dbraw/zinc/47/80/64/393478064.db2.gz DFJZWORNTVMLCS-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000420376162 393478220 /nfs/dbraw/zinc/47/82/20/393478220.db2.gz UUNQTBSFZCLTKI-JUFZMCDQSA-N 2 2 266.816 3.377 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405927 393499984 /nfs/dbraw/zinc/49/99/84/393499984.db2.gz JZSDYGQNMITRLD-WCVJEAGWSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405927 393499986 /nfs/dbraw/zinc/49/99/86/393499986.db2.gz JZSDYGQNMITRLD-WCVJEAGWSA-N 2 2 284.513 3.227 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccccc1 ZINC000429831517 393506334 /nfs/dbraw/zinc/50/63/34/393506334.db2.gz URHBPQUTVQBDFV-UHFFFAOYSA-N 2 2 254.377 3.455 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccccc1 ZINC000429831517 393506336 /nfs/dbraw/zinc/50/63/36/393506336.db2.gz URHBPQUTVQBDFV-UHFFFAOYSA-N 2 2 254.377 3.455 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488426388 393508744 /nfs/dbraw/zinc/50/87/44/393508744.db2.gz IGSMBRMZHWVDJD-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)C1CC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000488426800 393508791 /nfs/dbraw/zinc/50/87/91/393508791.db2.gz ALILCGBWIZKUGV-UHFFFAOYSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000488447407 393516967 /nfs/dbraw/zinc/51/69/67/393516967.db2.gz JBKYGVLPMKRMGX-DZKIICNBSA-N 2 2 260.425 3.361 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)s1 ZINC000358297270 393523071 /nfs/dbraw/zinc/52/30/71/393523071.db2.gz GZLZIFCUNIRJRE-KNHMANMVSA-N 2 2 278.465 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)s1 ZINC000358297270 393523076 /nfs/dbraw/zinc/52/30/76/393523076.db2.gz GZLZIFCUNIRJRE-KNHMANMVSA-N 2 2 278.465 3.498 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000488508639 393529905 /nfs/dbraw/zinc/52/99/05/393529905.db2.gz AXVJOFZWMYWFJY-UHFFFAOYSA-N 2 2 283.350 3.414 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000488508639 393529910 /nfs/dbraw/zinc/52/99/10/393529910.db2.gz AXVJOFZWMYWFJY-UHFFFAOYSA-N 2 2 283.350 3.414 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(C3CCC3)cc1)CCC2 ZINC000657446170 542795470 /nfs/dbraw/zinc/79/54/70/542795470.db2.gz FBRTWFSLQIRXRC-UHFFFAOYSA-N 2 2 281.403 3.387 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000430546521 393573208 /nfs/dbraw/zinc/57/32/08/393573208.db2.gz CTBOSRWUEWZWDI-AWEZNQCLSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000430546521 393573212 /nfs/dbraw/zinc/57/32/12/393573212.db2.gz CTBOSRWUEWZWDI-AWEZNQCLSA-N 2 2 293.436 3.208 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCOC1 ZINC000649755306 393573713 /nfs/dbraw/zinc/57/37/13/393573713.db2.gz KMINLLFRGJIVFJ-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCOC1 ZINC000649755306 393573715 /nfs/dbraw/zinc/57/37/15/393573715.db2.gz KMINLLFRGJIVFJ-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)o1 ZINC000430562292 393575227 /nfs/dbraw/zinc/57/52/27/393575227.db2.gz QGNSIYUTXJFNCL-HNNXBMFYSA-N 2 2 293.436 3.175 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568827 393576394 /nfs/dbraw/zinc/57/63/94/393576394.db2.gz XGBXWIRERLMPEV-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568827 393576402 /nfs/dbraw/zinc/57/64/02/393576402.db2.gz XGBXWIRERLMPEV-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP c1nc(C[NH2+][C@@H]2CCC[NH2+]CC2)sc1-c1ccccc1 ZINC000666856341 542821134 /nfs/dbraw/zinc/82/11/34/542821134.db2.gz BLIXSIDZXUKNKG-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666886321 542823361 /nfs/dbraw/zinc/82/33/61/542823361.db2.gz PRHIMZXVRGHFPN-NHYWBVRUSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000360839410 393595892 /nfs/dbraw/zinc/59/58/92/393595892.db2.gz HNWRFKZKLZLHSZ-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)[NH+](C)C ZINC000360839413 393595905 /nfs/dbraw/zinc/59/59/05/393595905.db2.gz HNWRFKZKLZLHSZ-VXGBXAGGSA-N 2 2 288.357 3.176 20 0 CGADLP CC(C)CCc1nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs1 ZINC000430578716 393578559 /nfs/dbraw/zinc/57/85/59/393578559.db2.gz BFKOCVGELFCWQY-HNNXBMFYSA-N 2 2 283.485 3.195 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCSc1ccc(C)c(C)c1 ZINC000430593313 393579882 /nfs/dbraw/zinc/57/98/82/393579882.db2.gz OSUIJGYCCRQCPY-HNNXBMFYSA-N 2 2 278.465 3.079 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCSc1ccc(C)c(C)c1 ZINC000430593313 393579887 /nfs/dbraw/zinc/57/98/87/393579887.db2.gz OSUIJGYCCRQCPY-HNNXBMFYSA-N 2 2 278.465 3.079 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCSc1ccc(C)c(C)c1 ZINC000430593316 393580887 /nfs/dbraw/zinc/58/08/87/393580887.db2.gz OSUIJGYCCRQCPY-OAHLLOKOSA-N 2 2 278.465 3.079 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCSc1ccc(C)c(C)c1 ZINC000430593316 393580891 /nfs/dbraw/zinc/58/08/91/393580891.db2.gz OSUIJGYCCRQCPY-OAHLLOKOSA-N 2 2 278.465 3.079 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319483 393679686 /nfs/dbraw/zinc/67/96/86/393679686.db2.gz DLOKTMWPZWHMHR-LIRRHRJNSA-N 2 2 284.447 3.138 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319483 393679689 /nfs/dbraw/zinc/67/96/89/393679689.db2.gz DLOKTMWPZWHMHR-LIRRHRJNSA-N 2 2 284.447 3.138 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964463 393626086 /nfs/dbraw/zinc/62/60/86/393626086.db2.gz RZUVRQRIRPDUSA-CZUORRHYSA-N 2 2 282.391 3.032 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964463 393626088 /nfs/dbraw/zinc/62/60/88/393626088.db2.gz RZUVRQRIRPDUSA-CZUORRHYSA-N 2 2 282.391 3.032 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000433069425 393681802 /nfs/dbraw/zinc/68/18/02/393681802.db2.gz COVIZOHSXGYXBU-KRWDZBQOSA-N 2 2 269.392 3.153 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000433069425 393681806 /nfs/dbraw/zinc/68/18/06/393681806.db2.gz COVIZOHSXGYXBU-KRWDZBQOSA-N 2 2 269.392 3.153 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836746 393644476 /nfs/dbraw/zinc/64/44/76/393644476.db2.gz RYMPKWLNGGPHJA-FPMFFAJLSA-N 2 2 298.377 3.469 20 0 CGADLP CCC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1Cl ZINC000423184663 393653894 /nfs/dbraw/zinc/65/38/94/393653894.db2.gz MOBCYJKZKPEGIK-LBPRGKRZSA-N 2 2 261.196 3.383 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423371910 393664094 /nfs/dbraw/zinc/66/40/94/393664094.db2.gz GAOFLQIIONXCFE-MFKMUULPSA-N 2 2 284.856 3.465 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)o1 ZINC000423494521 393671713 /nfs/dbraw/zinc/67/17/13/393671713.db2.gz ASEGYYVYSQGSRU-ABAIWWIYSA-N 2 2 250.386 3.065 20 0 CGADLP C[NH+](C)C1(C[NH2+]CCC(C)(C)C)Cc2ccccc2C1 ZINC000438199088 393721536 /nfs/dbraw/zinc/72/15/36/393721536.db2.gz LAFYQPPDQLHCEY-UHFFFAOYSA-N 2 2 274.452 3.111 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1Cl ZINC000443991893 393780584 /nfs/dbraw/zinc/78/05/84/393780584.db2.gz XEACJXUQDNIXOW-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1Cl ZINC000443991893 393780586 /nfs/dbraw/zinc/78/05/86/393780586.db2.gz XEACJXUQDNIXOW-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP C[N@H+]1CC=C(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000498724249 393785028 /nfs/dbraw/zinc/78/50/28/393785028.db2.gz ZVQSISGTCCORMA-MRXNPFEDSA-N 2 2 294.389 3.104 20 0 CGADLP C[N@@H+]1CC=C(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000498724249 393785030 /nfs/dbraw/zinc/78/50/30/393785030.db2.gz ZVQSISGTCCORMA-MRXNPFEDSA-N 2 2 294.389 3.104 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C[N@@H+]1C1CC1 ZINC000449348127 393878609 /nfs/dbraw/zinc/87/86/09/393878609.db2.gz FKWYKINDYWEQRT-FHSNZYRGSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C[N@H+]1C1CC1 ZINC000449348127 393878612 /nfs/dbraw/zinc/87/86/12/393878612.db2.gz FKWYKINDYWEQRT-FHSNZYRGSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)C[N@@H+]1C1CC1 ZINC000449595759 393916989 /nfs/dbraw/zinc/91/69/89/393916989.db2.gz VJGKGZYCGWAYHD-KDOFPFPSSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)C[N@H+]1C1CC1 ZINC000449595759 393916994 /nfs/dbraw/zinc/91/69/94/393916994.db2.gz VJGKGZYCGWAYHD-KDOFPFPSSA-N 2 2 284.447 3.149 20 0 CGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667462548 542870764 /nfs/dbraw/zinc/87/07/64/542870764.db2.gz LUSQHVIZBQSTKY-QGZVFWFLSA-N 2 2 285.391 3.074 20 0 CGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667462548 542870766 /nfs/dbraw/zinc/87/07/66/542870766.db2.gz LUSQHVIZBQSTKY-QGZVFWFLSA-N 2 2 285.391 3.074 20 0 CGADLP C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000450596298 394027470 /nfs/dbraw/zinc/02/74/70/394027470.db2.gz SRSIGOJDYPKMSU-GYXIZQIFSA-N 2 2 273.424 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000450596298 394027472 /nfs/dbraw/zinc/02/74/72/394027472.db2.gz SRSIGOJDYPKMSU-GYXIZQIFSA-N 2 2 273.424 3.346 20 0 CGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450329517 393994000 /nfs/dbraw/zinc/99/40/00/393994000.db2.gz QSEAUGRIBNHGDY-JTQLQIEISA-N 2 2 293.773 3.168 20 0 CGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450329517 393994004 /nfs/dbraw/zinc/99/40/04/393994004.db2.gz QSEAUGRIBNHGDY-JTQLQIEISA-N 2 2 293.773 3.168 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCCC[C@H]1c1ccncc1)CCC2 ZINC000667470675 542871702 /nfs/dbraw/zinc/87/17/02/542871702.db2.gz GJYOAVOAKPBXGD-KRWDZBQOSA-N 2 2 296.418 3.342 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCCC[C@H]1c1ccncc1)CCC2 ZINC000667470675 542871703 /nfs/dbraw/zinc/87/17/03/542871703.db2.gz GJYOAVOAKPBXGD-KRWDZBQOSA-N 2 2 296.418 3.342 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453116962 394177274 /nfs/dbraw/zinc/17/72/74/394177274.db2.gz UGJPJNCWFMRKMD-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453116962 394177278 /nfs/dbraw/zinc/17/72/78/394177278.db2.gz UGJPJNCWFMRKMD-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000453070127 394160587 /nfs/dbraw/zinc/16/05/87/394160587.db2.gz ZYUPCUGPEXRXOY-IAGOWNOFSA-N 2 2 289.467 3.257 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000453070127 394160593 /nfs/dbraw/zinc/16/05/93/394160593.db2.gz ZYUPCUGPEXRXOY-IAGOWNOFSA-N 2 2 289.467 3.257 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000453075965 394163137 /nfs/dbraw/zinc/16/31/37/394163137.db2.gz JBQIQWGCSIUNJU-IAGOWNOFSA-N 2 2 289.467 3.257 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081897 394165423 /nfs/dbraw/zinc/16/54/23/394165423.db2.gz KKJFXAWRUJIWTC-HZPDHXFCSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081897 394165427 /nfs/dbraw/zinc/16/54/27/394165427.db2.gz KKJFXAWRUJIWTC-HZPDHXFCSA-N 2 2 296.480 3.146 20 0 CGADLP c1c(CC[NH2+][C@H](C2CC2)C2CCCC2)[nH+]c2n1CCCC2 ZINC000453085601 394166391 /nfs/dbraw/zinc/16/63/91/394166391.db2.gz ORGQYSFRLDHLQK-SFHVURJKSA-N 2 2 287.451 3.320 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCCCOc1ccccc1 ZINC000453602826 394255782 /nfs/dbraw/zinc/25/57/82/394255782.db2.gz HHDJSGPEGKFONK-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP c1cc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cs1 ZINC000667503155 542880073 /nfs/dbraw/zinc/88/00/73/542880073.db2.gz AWSAQOYVIPCKJU-CQSZACIVSA-N 2 2 273.405 3.228 20 0 CGADLP c1cc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cs1 ZINC000667503155 542880076 /nfs/dbraw/zinc/88/00/76/542880076.db2.gz AWSAQOYVIPCKJU-CQSZACIVSA-N 2 2 273.405 3.228 20 0 CGADLP C[C@H](c1cccs1)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667510733 542881945 /nfs/dbraw/zinc/88/19/45/542881945.db2.gz RQHPRKYHIJMNKI-LLVKDONJSA-N 2 2 261.394 3.084 20 0 CGADLP C[C@H](c1cccs1)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667510733 542881948 /nfs/dbraw/zinc/88/19/48/542881948.db2.gz RQHPRKYHIJMNKI-LLVKDONJSA-N 2 2 261.394 3.084 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647660 542903705 /nfs/dbraw/zinc/90/37/05/542903705.db2.gz AXVDSTXQGYFNLD-GOEBONIOSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647660 542903708 /nfs/dbraw/zinc/90/37/08/542903708.db2.gz AXVDSTXQGYFNLD-GOEBONIOSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000667663851 542910649 /nfs/dbraw/zinc/91/06/49/542910649.db2.gz YBNUGXACMJBSLZ-MRXNPFEDSA-N 2 2 297.446 3.394 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc21 ZINC000667663851 542910652 /nfs/dbraw/zinc/91/06/52/542910652.db2.gz YBNUGXACMJBSLZ-MRXNPFEDSA-N 2 2 297.446 3.394 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000667763982 542926481 /nfs/dbraw/zinc/92/64/81/542926481.db2.gz NPUHZAPXHKXIFN-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857173 542938705 /nfs/dbraw/zinc/93/87/05/542938705.db2.gz CZVXPNJLESETOP-LEOABGAYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857173 542938709 /nfs/dbraw/zinc/93/87/09/542938709.db2.gz CZVXPNJLESETOP-LEOABGAYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913136 542944469 /nfs/dbraw/zinc/94/44/69/542944469.db2.gz ZETZREHKHSZFQT-JZGRTCEGSA-N 2 2 299.462 3.385 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1C ZINC000667960322 542950331 /nfs/dbraw/zinc/95/03/31/542950331.db2.gz JVQYTAMUNNGUQJ-SXSDINLZSA-N 2 2 281.403 3.406 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174079 542980379 /nfs/dbraw/zinc/98/03/79/542980379.db2.gz CNOLQODSYWFFSL-UONOGXRCSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174079 542980382 /nfs/dbraw/zinc/98/03/82/542980382.db2.gz CNOLQODSYWFFSL-UONOGXRCSA-N 2 2 275.440 3.476 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)n1C ZINC000668174139 542981002 /nfs/dbraw/zinc/98/10/02/542981002.db2.gz FGAIGOPLWYGRFW-CQSZACIVSA-N 2 2 275.421 3.373 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)n1C ZINC000668174139 542981005 /nfs/dbraw/zinc/98/10/05/542981005.db2.gz FGAIGOPLWYGRFW-CQSZACIVSA-N 2 2 275.421 3.373 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458736 543014792 /nfs/dbraw/zinc/01/47/92/543014792.db2.gz HXAZLDNXXKEEHN-DOTOQJQBSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458736 543014793 /nfs/dbraw/zinc/01/47/93/543014793.db2.gz HXAZLDNXXKEEHN-DOTOQJQBSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CCOCC2 ZINC000668617174 543036207 /nfs/dbraw/zinc/03/62/07/543036207.db2.gz VSOKNUHWHWNUNB-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419027 543104648 /nfs/dbraw/zinc/10/46/48/543104648.db2.gz ZGQIQRGGMLMTTH-SYAUCNOPSA-N 2 2 290.476 3.314 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419027 543104652 /nfs/dbraw/zinc/10/46/52/543104652.db2.gz ZGQIQRGGMLMTTH-SYAUCNOPSA-N 2 2 290.476 3.314 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928719 543133988 /nfs/dbraw/zinc/13/39/88/543133988.db2.gz LWHKMIUNQRGWET-JKSUJKDBSA-N 2 2 289.423 3.012 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928719 543133990 /nfs/dbraw/zinc/13/39/90/543133990.db2.gz LWHKMIUNQRGWET-JKSUJKDBSA-N 2 2 289.423 3.012 20 0 CGADLP CCc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000672343516 543210011 /nfs/dbraw/zinc/21/00/11/543210011.db2.gz QBVFQAFQQRDKEH-KDOFPFPSSA-N 2 2 298.434 3.451 20 0 CGADLP c1cn(-c2ccccc2OCCC[NH+]2CCCCC2)c[nH+]1 ZINC000673543814 543243374 /nfs/dbraw/zinc/24/33/74/543243374.db2.gz DSNNSTAXMPNDPI-UHFFFAOYSA-N 2 2 285.391 3.127 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000673931026 543259386 /nfs/dbraw/zinc/25/93/86/543259386.db2.gz BBVQCFNUYDIEBY-KRWDZBQOSA-N 2 2 292.492 3.166 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915897 397609035 /nfs/dbraw/zinc/60/90/35/397609035.db2.gz PASFBOFEOPNVLP-IGCXYCKISA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915897 397609037 /nfs/dbraw/zinc/60/90/37/397609037.db2.gz PASFBOFEOPNVLP-IGCXYCKISA-N 2 2 294.389 3.490 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CCC1 ZINC000429517217 292123721 /nfs/dbraw/zinc/12/37/21/292123721.db2.gz MVTDNLAJBQVTCY-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C[N@@H+]1C1CC1 ZINC000650760646 397911671 /nfs/dbraw/zinc/91/16/71/397911671.db2.gz JJVDLJVXPZOCMO-HYVNUMGLSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C[N@H+]1C1CC1 ZINC000650760646 397911675 /nfs/dbraw/zinc/91/16/75/397911675.db2.gz JJVDLJVXPZOCMO-HYVNUMGLSA-N 2 2 299.462 3.018 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000675103126 543314878 /nfs/dbraw/zinc/31/48/78/543314878.db2.gz JFMSQHZIOKOUPM-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000675103126 543314881 /nfs/dbraw/zinc/31/48/81/543314881.db2.gz JFMSQHZIOKOUPM-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499009 543345191 /nfs/dbraw/zinc/34/51/91/543345191.db2.gz ZAEDEDVWLDANGJ-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499009 543345194 /nfs/dbraw/zinc/34/51/94/543345194.db2.gz ZAEDEDVWLDANGJ-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499009 543345196 /nfs/dbraw/zinc/34/51/96/543345196.db2.gz ZAEDEDVWLDANGJ-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499009 543345197 /nfs/dbraw/zinc/34/51/97/543345197.db2.gz ZAEDEDVWLDANGJ-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766838 543362489 /nfs/dbraw/zinc/36/24/89/543362489.db2.gz PTUOQAYDLSPUNX-HIFRSBDPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766838 543362491 /nfs/dbraw/zinc/36/24/91/543362491.db2.gz PTUOQAYDLSPUNX-HIFRSBDPSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768367 543362866 /nfs/dbraw/zinc/36/28/66/543362866.db2.gz WSNFVMZOGOVIBH-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768367 543362869 /nfs/dbraw/zinc/36/28/69/543362869.db2.gz WSNFVMZOGOVIBH-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744418 543360094 /nfs/dbraw/zinc/36/00/94/543360094.db2.gz VWZSTDGRUPYPBN-WMLDXEAASA-N 2 2 272.436 3.037 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744418 543360096 /nfs/dbraw/zinc/36/00/96/543360096.db2.gz VWZSTDGRUPYPBN-WMLDXEAASA-N 2 2 272.436 3.037 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675833678 543368210 /nfs/dbraw/zinc/36/82/10/543368210.db2.gz MVZURHXCHJGRHA-CXAGYDPISA-N 2 2 290.838 3.401 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675833678 543368212 /nfs/dbraw/zinc/36/82/12/543368212.db2.gz MVZURHXCHJGRHA-CXAGYDPISA-N 2 2 290.838 3.401 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804470 543466398 /nfs/dbraw/zinc/46/63/98/543466398.db2.gz GMRDXVZBGFPFOJ-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804470 543466402 /nfs/dbraw/zinc/46/64/02/543466402.db2.gz GMRDXVZBGFPFOJ-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000677846358 543468965 /nfs/dbraw/zinc/46/89/65/543468965.db2.gz QNWORUBOXZFLSS-DOTOQJQBSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000677846358 543468966 /nfs/dbraw/zinc/46/89/66/543468966.db2.gz QNWORUBOXZFLSS-DOTOQJQBSA-N 2 2 290.838 3.401 20 0 CGADLP c1ccc2c(c1)n[nH]c2C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000678133980 543486865 /nfs/dbraw/zinc/48/68/65/543486865.db2.gz PKABDHSWVJNCBM-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000678079275 543481515 /nfs/dbraw/zinc/48/15/15/543481515.db2.gz UBDVKAHDODLROE-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000678079275 543481518 /nfs/dbraw/zinc/48/15/18/543481518.db2.gz UBDVKAHDODLROE-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079275 543481521 /nfs/dbraw/zinc/48/15/21/543481521.db2.gz UBDVKAHDODLROE-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079275 543481524 /nfs/dbraw/zinc/48/15/24/543481524.db2.gz UBDVKAHDODLROE-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678076866 543481829 /nfs/dbraw/zinc/48/18/29/543481829.db2.gz GDDCANXQKUAJBO-XJKSGUPXSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678076866 543481831 /nfs/dbraw/zinc/48/18/31/543481831.db2.gz GDDCANXQKUAJBO-XJKSGUPXSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678076866 543481832 /nfs/dbraw/zinc/48/18/32/543481832.db2.gz GDDCANXQKUAJBO-XJKSGUPXSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678076866 543481834 /nfs/dbraw/zinc/48/18/34/543481834.db2.gz GDDCANXQKUAJBO-XJKSGUPXSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000678080761 543482193 /nfs/dbraw/zinc/48/21/93/543482193.db2.gz MFHMDIJZZDHDMN-MAUKXSAKSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000678080761 543482196 /nfs/dbraw/zinc/48/21/96/543482196.db2.gz MFHMDIJZZDHDMN-MAUKXSAKSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)n1 ZINC000678410566 543520902 /nfs/dbraw/zinc/52/09/02/543520902.db2.gz BVKFVIIRFQNXIV-AWEZNQCLSA-N 2 2 298.434 3.125 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000678412945 543521897 /nfs/dbraw/zinc/52/18/97/543521897.db2.gz CAFOGOUNGPHKHY-MRXNPFEDSA-N 2 2 297.446 3.481 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000678412945 543521901 /nfs/dbraw/zinc/52/19/01/543521901.db2.gz CAFOGOUNGPHKHY-MRXNPFEDSA-N 2 2 297.446 3.481 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000678460873 543528219 /nfs/dbraw/zinc/52/82/19/543528219.db2.gz BYDVIOQYYUUSAB-BZUAXINKSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000678460873 543528221 /nfs/dbraw/zinc/52/82/21/543528221.db2.gz BYDVIOQYYUUSAB-BZUAXINKSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678597685 543540698 /nfs/dbraw/zinc/54/06/98/543540698.db2.gz HERMZYWTMLSZTR-KBRIMQKVSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678597685 543540700 /nfs/dbraw/zinc/54/07/00/543540700.db2.gz HERMZYWTMLSZTR-KBRIMQKVSA-N 2 2 258.409 3.068 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000678683076 543549128 /nfs/dbraw/zinc/54/91/28/543549128.db2.gz KZLMNMRFHCZBSG-NVXWUHKLSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000678683076 543549130 /nfs/dbraw/zinc/54/91/30/543549130.db2.gz KZLMNMRFHCZBSG-NVXWUHKLSA-N 2 2 276.424 3.076 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCc3sccc3C2)[nH+]1 ZINC000678828058 543563948 /nfs/dbraw/zinc/56/39/48/543563948.db2.gz MGMZDODAYGKMND-UHFFFAOYSA-N 2 2 283.400 3.344 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCc3sccc3C2)[nH+]1 ZINC000678828058 543563949 /nfs/dbraw/zinc/56/39/49/543563949.db2.gz MGMZDODAYGKMND-UHFFFAOYSA-N 2 2 283.400 3.344 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000678911628 543571390 /nfs/dbraw/zinc/57/13/90/543571390.db2.gz YHBIHLPDYXLDJN-PREGVCBESA-N 2 2 288.435 3.102 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000678911628 543571393 /nfs/dbraw/zinc/57/13/93/543571393.db2.gz YHBIHLPDYXLDJN-PREGVCBESA-N 2 2 288.435 3.102 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C12CCCCC2 ZINC000300413971 286284536 /nfs/dbraw/zinc/28/45/36/286284536.db2.gz GIWRJBPMSAMCPS-USXIJHARSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C12CCCCC2 ZINC000300413971 286284541 /nfs/dbraw/zinc/28/45/41/286284541.db2.gz GIWRJBPMSAMCPS-USXIJHARSA-N 2 2 294.483 3.187 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000178137751 292382516 /nfs/dbraw/zinc/38/25/16/292382516.db2.gz NDVPAEDMTRYRCT-DOTOQJQBSA-N 2 2 278.440 3.002 20 0 CGADLP CCCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000068852114 165047645 /nfs/dbraw/zinc/04/76/45/165047645.db2.gz QSHNDEWZMISTKB-UHFFFAOYSA-N 2 2 287.407 3.121 20 0 CGADLP CCCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000068852114 165047647 /nfs/dbraw/zinc/04/76/47/165047647.db2.gz QSHNDEWZMISTKB-UHFFFAOYSA-N 2 2 287.407 3.121 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835998 165105101 /nfs/dbraw/zinc/10/51/01/165105101.db2.gz KQBKMARKFLJDIX-INIZCTEOSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835998 165105103 /nfs/dbraw/zinc/10/51/03/165105103.db2.gz KQBKMARKFLJDIX-INIZCTEOSA-N 2 2 276.399 3.134 20 0 CGADLP CC[NH+](CC)CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802835 165242772 /nfs/dbraw/zinc/24/27/72/165242772.db2.gz RORITFCKIDJTDT-UHFFFAOYSA-N 2 2 275.318 3.244 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCCO1 ZINC000091075201 165256082 /nfs/dbraw/zinc/25/60/82/165256082.db2.gz XATHAJUEYOZDFG-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCCO1 ZINC000091075201 165256085 /nfs/dbraw/zinc/25/60/85/165256085.db2.gz XATHAJUEYOZDFG-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000430702650 287107548 /nfs/dbraw/zinc/10/75/48/287107548.db2.gz ZNJBFWRVIDNDIN-GHYKFQNRSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000430702650 287107552 /nfs/dbraw/zinc/10/75/52/287107552.db2.gz ZNJBFWRVIDNDIN-GHYKFQNRSA-N 2 2 264.457 3.416 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094517876 165352159 /nfs/dbraw/zinc/35/21/59/165352159.db2.gz ZKLVCAAYTCMXKK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094517876 165352161 /nfs/dbraw/zinc/35/21/61/165352161.db2.gz ZKLVCAAYTCMXKK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683379 287118632 /nfs/dbraw/zinc/11/86/32/287118632.db2.gz OLWDUIUPOPZMLN-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683379 287118636 /nfs/dbraw/zinc/11/86/36/287118636.db2.gz OLWDUIUPOPZMLN-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000122298639 287208565 /nfs/dbraw/zinc/20/85/65/287208565.db2.gz RXOANEBSFVWXOA-AAEUAGOBSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000122298639 287208566 /nfs/dbraw/zinc/20/85/66/287208566.db2.gz RXOANEBSFVWXOA-AAEUAGOBSA-N 2 2 298.352 3.420 20 0 CGADLP Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000125518423 287246010 /nfs/dbraw/zinc/24/60/10/287246010.db2.gz XECLBOXSDYUXHS-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000449062591 297189495 /nfs/dbraw/zinc/18/94/95/297189495.db2.gz YTPDXXNUCLLVNQ-OIISXLGYSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000284508659 196073757 /nfs/dbraw/zinc/07/37/57/196073757.db2.gz VYRZXQGVUHQSIS-PBHICJAKSA-N 2 2 287.451 3.385 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000019905950 170917895 /nfs/dbraw/zinc/91/78/95/170917895.db2.gz UUACXCLMGOBESE-HOTGVXAUSA-N 2 2 278.465 3.165 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccncc1 ZINC000020186667 171050742 /nfs/dbraw/zinc/05/07/42/171050742.db2.gz ILOVSJHXUVMDDX-CYBMUJFWSA-N 2 2 280.375 3.091 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000020189605 171055306 /nfs/dbraw/zinc/05/53/06/171055306.db2.gz XFKWPIGMHKBQAK-XJKSGUPXSA-N 2 2 276.424 3.367 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000021510705 171309945 /nfs/dbraw/zinc/30/99/45/171309945.db2.gz WVGGIEWCJNNRDX-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3[nH+]ccn3CC(C)C)n2c1 ZINC000285067101 196189099 /nfs/dbraw/zinc/18/90/99/196189099.db2.gz DVZMZUJWXYNELS-UHFFFAOYSA-N 2 2 283.379 3.107 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035258956 172091333 /nfs/dbraw/zinc/09/13/33/172091333.db2.gz NFEGQTUSPYGAEX-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274804 172095502 /nfs/dbraw/zinc/09/55/02/172095502.db2.gz CSHIDMHSSVXZHW-OAHLLOKOSA-N 2 2 287.407 3.240 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337989827 287271452 /nfs/dbraw/zinc/27/14/52/287271452.db2.gz QYXWCTDWGSCJJY-BZUAXINKSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337989827 287271454 /nfs/dbraw/zinc/27/14/54/287271454.db2.gz QYXWCTDWGSCJJY-BZUAXINKSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000038029065 174018348 /nfs/dbraw/zinc/01/83/48/174018348.db2.gz XHLLMZJZSFSMND-QAPCUYQASA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090497 174104183 /nfs/dbraw/zinc/10/41/83/174104183.db2.gz NBZUBZVKVHWJTL-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP CCC[N@@H+](Cc1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000038090497 174104184 /nfs/dbraw/zinc/10/41/84/174104184.db2.gz NBZUBZVKVHWJTL-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000040591707 174347217 /nfs/dbraw/zinc/34/72/17/174347217.db2.gz DYICYPCPEMRKBG-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000040591707 174347219 /nfs/dbraw/zinc/34/72/19/174347219.db2.gz DYICYPCPEMRKBG-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000040591775 174347711 /nfs/dbraw/zinc/34/77/11/174347711.db2.gz SJNQUPRSSURMPK-LBPRGKRZSA-N 2 2 286.341 3.137 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000040591775 174347712 /nfs/dbraw/zinc/34/77/12/174347712.db2.gz SJNQUPRSSURMPK-LBPRGKRZSA-N 2 2 286.341 3.137 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000040640711 174364631 /nfs/dbraw/zinc/36/46/31/174364631.db2.gz CVTRNSGMIWVERL-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437086369 533680185 /nfs/dbraw/zinc/68/01/85/533680185.db2.gz KMGDYALJIXRQFF-AWEZNQCLSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043325741 175007417 /nfs/dbraw/zinc/00/74/17/175007417.db2.gz YCFVQNWTSXVRSH-KBPBESRZSA-N 2 2 252.789 3.133 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000043326261 175007619 /nfs/dbraw/zinc/00/76/19/175007619.db2.gz JPRJLXZSFITNIL-KGLIPLIRSA-N 2 2 297.240 3.242 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)c[nH+]1 ZINC000044583718 175210952 /nfs/dbraw/zinc/21/09/52/175210952.db2.gz OVKLGZNIAGAPGU-OAHLLOKOSA-N 2 2 267.376 3.318 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000128108381 287303919 /nfs/dbraw/zinc/30/39/19/287303919.db2.gz SRRHPYBITXZLEM-ZWKOTPCHSA-N 2 2 292.467 3.330 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000128498193 287312612 /nfs/dbraw/zinc/31/26/12/287312612.db2.gz IUAFWAPZPZRWOW-YEWWUXTCSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000128498193 287312613 /nfs/dbraw/zinc/31/26/13/287312613.db2.gz IUAFWAPZPZRWOW-YEWWUXTCSA-N 2 2 288.435 3.361 20 0 CGADLP CCC[N@H+]([C@@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC000071314914 176121719 /nfs/dbraw/zinc/12/17/19/176121719.db2.gz LIPYFHMTNFSXOT-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@@H+]([C@@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC000071314914 176121721 /nfs/dbraw/zinc/12/17/21/176121721.db2.gz LIPYFHMTNFSXOT-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128621608 287315045 /nfs/dbraw/zinc/31/50/45/287315045.db2.gz ASOVYEWNSIEREN-KKUMJFAQSA-N 2 2 288.435 3.279 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@H]3CCC[N@H+]3C)CCCC2)n1 ZINC000129114415 287324483 /nfs/dbraw/zinc/32/44/83/287324483.db2.gz VAMCTGYZHIORHW-CQSZACIVSA-N 2 2 293.480 3.295 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@H]3CCC[N@@H+]3C)CCCC2)n1 ZINC000129114415 287324486 /nfs/dbraw/zinc/32/44/86/287324486.db2.gz VAMCTGYZHIORHW-CQSZACIVSA-N 2 2 293.480 3.295 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000129261472 287327754 /nfs/dbraw/zinc/32/77/54/287327754.db2.gz YKULMWBRYVWGSM-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c(Cl)c1 ZINC000310093733 416529066 /nfs/dbraw/zinc/52/90/66/416529066.db2.gz GSDUVARZGOVAJH-AWEZNQCLSA-N 2 2 254.805 3.111 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122716018 416506089 /nfs/dbraw/zinc/50/60/89/416506089.db2.gz XTAHJVSDSRGDRM-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122716018 416506095 /nfs/dbraw/zinc/50/60/95/416506095.db2.gz XTAHJVSDSRGDRM-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129058917 416513142 /nfs/dbraw/zinc/51/31/42/416513142.db2.gz DEYSNCCFXJJASD-CMPLNLGQSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129058917 416513145 /nfs/dbraw/zinc/51/31/45/416513145.db2.gz DEYSNCCFXJJASD-CMPLNLGQSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000130067229 287344375 /nfs/dbraw/zinc/34/43/75/287344375.db2.gz IPONRQGHMLYMMQ-YGRLFVJLSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000130067229 287344377 /nfs/dbraw/zinc/34/43/77/287344377.db2.gz IPONRQGHMLYMMQ-YGRLFVJLSA-N 2 2 287.234 3.423 20 0 CGADLP Cc1cn2c([nH+]1)CN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000679845997 543665355 /nfs/dbraw/zinc/66/53/55/543665355.db2.gz QPHPKVLNCMYXKT-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000682157290 543831612 /nfs/dbraw/zinc/83/16/12/543831612.db2.gz ZKEFITTZXHLCEV-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000682157290 543831615 /nfs/dbraw/zinc/83/16/15/543831615.db2.gz ZKEFITTZXHLCEV-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000131706661 287387692 /nfs/dbraw/zinc/38/76/92/287387692.db2.gz LFRLELYFTYPLCO-QGZVFWFLSA-N 2 2 271.408 3.226 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000131706661 287387695 /nfs/dbraw/zinc/38/76/95/287387695.db2.gz LFRLELYFTYPLCO-QGZVFWFLSA-N 2 2 271.408 3.226 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000683020002 543890558 /nfs/dbraw/zinc/89/05/58/543890558.db2.gz ZBIPPRYGMIIGCT-CQSZACIVSA-N 2 2 291.345 3.268 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683020002 543890561 /nfs/dbraw/zinc/89/05/61/543890561.db2.gz ZBIPPRYGMIIGCT-CQSZACIVSA-N 2 2 291.345 3.268 20 0 CGADLP c1cc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)[nH+]cc2[nH]1 ZINC000683893329 543950836 /nfs/dbraw/zinc/95/08/36/543950836.db2.gz KQFWDAGIXILWOJ-UHFFFAOYSA-N 2 2 289.342 3.361 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000684022133 543961001 /nfs/dbraw/zinc/96/10/01/543961001.db2.gz GZUKBXGIHDYUEJ-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000684022133 543961003 /nfs/dbraw/zinc/96/10/03/543961003.db2.gz GZUKBXGIHDYUEJ-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000684391070 543992070 /nfs/dbraw/zinc/99/20/70/543992070.db2.gz PQCDULNBCKKYCD-DLBZAZTESA-N 2 2 296.499 3.292 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3cc(O)ccc3C2)c[nH+]1 ZINC000684407439 543994786 /nfs/dbraw/zinc/99/47/86/543994786.db2.gz HQSFKCLSOFLJHY-SFHVURJKSA-N 2 2 296.414 3.175 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000685426473 544068041 /nfs/dbraw/zinc/06/80/41/544068041.db2.gz IIJSZRPZFSYEKG-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000685426473 544068042 /nfs/dbraw/zinc/06/80/42/544068042.db2.gz IIJSZRPZFSYEKG-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000685426473 544068045 /nfs/dbraw/zinc/06/80/45/544068045.db2.gz IIJSZRPZFSYEKG-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000685426473 544068047 /nfs/dbraw/zinc/06/80/47/544068047.db2.gz IIJSZRPZFSYEKG-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)[C@H]2C1 ZINC000685426474 544068439 /nfs/dbraw/zinc/06/84/39/544068439.db2.gz IIJSZRPZFSYEKG-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)[C@H]2C1 ZINC000685426474 544068442 /nfs/dbraw/zinc/06/84/42/544068442.db2.gz IIJSZRPZFSYEKG-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)[C@H]2C1 ZINC000685426474 544068443 /nfs/dbraw/zinc/06/84/43/544068443.db2.gz IIJSZRPZFSYEKG-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)[C@H]2C1 ZINC000685426474 544068446 /nfs/dbraw/zinc/06/84/46/544068446.db2.gz IIJSZRPZFSYEKG-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458585 544073295 /nfs/dbraw/zinc/07/32/95/544073295.db2.gz YEXVYKSTDWFAKM-MOPGFXCFSA-N 2 2 284.447 3.277 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458585 544073299 /nfs/dbraw/zinc/07/32/99/544073299.db2.gz YEXVYKSTDWFAKM-MOPGFXCFSA-N 2 2 284.447 3.277 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cscc1Cl ZINC000685462461 544074422 /nfs/dbraw/zinc/07/44/22/544074422.db2.gz ZLVKQCWQIJGFSH-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cscc1Cl ZINC000685462461 544074424 /nfs/dbraw/zinc/07/44/24/544074424.db2.gz ZLVKQCWQIJGFSH-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP Cc1[nH+]ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000684890459 544036053 /nfs/dbraw/zinc/03/60/53/544036053.db2.gz MJWVNNRDTDTZNY-GFCCVEGCSA-N 2 2 276.771 3.081 20 0 CGADLP c1coc(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000658328483 418937450 /nfs/dbraw/zinc/93/74/50/418937450.db2.gz XHUREAPOCWYEML-GOSISDBHSA-N 2 2 298.430 3.466 20 0 CGADLP c1coc(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000658328483 418937454 /nfs/dbraw/zinc/93/74/54/418937454.db2.gz XHUREAPOCWYEML-GOSISDBHSA-N 2 2 298.430 3.466 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000664633116 418989265 /nfs/dbraw/zinc/98/92/65/418989265.db2.gz ZPTHHDJOAYRZHD-MRXNPFEDSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000664633116 418989267 /nfs/dbraw/zinc/98/92/67/418989267.db2.gz ZPTHHDJOAYRZHD-MRXNPFEDSA-N 2 2 267.376 3.076 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC000660129745 419083836 /nfs/dbraw/zinc/08/38/36/419083836.db2.gz TVARZKKYXATBRW-LBPRGKRZSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC000660129745 419083840 /nfs/dbraw/zinc/08/38/40/419083840.db2.gz TVARZKKYXATBRW-LBPRGKRZSA-N 2 2 298.415 3.019 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCCC[NH2+]1 ZINC000665237603 419088122 /nfs/dbraw/zinc/08/81/22/419088122.db2.gz FJWPFIQPBFQJJJ-DOMZBBRYSA-N 2 2 258.365 3.053 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665238244 419088571 /nfs/dbraw/zinc/08/85/71/419088571.db2.gz UTNJIMZLDJBRHO-RISCZKNCSA-N 2 2 286.341 3.025 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253309 419093800 /nfs/dbraw/zinc/09/38/00/419093800.db2.gz NIFIJPRYUASPMV-YCCRMZCTSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276762 419099689 /nfs/dbraw/zinc/09/96/89/419099689.db2.gz MASQBIWUHDOBQX-POZPTJLLSA-N 2 2 270.376 3.144 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2c(s1)CCCC2 ZINC000665278056 419099799 /nfs/dbraw/zinc/09/97/99/419099799.db2.gz UCQBJTCPJAXNIA-OPGSHWCFSA-N 2 2 276.449 3.030 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276590 419100350 /nfs/dbraw/zinc/10/03/50/419100350.db2.gz GYKFMRDFAOFTEI-CBCUQQMYSA-N 2 2 258.409 3.213 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000665295862 419108857 /nfs/dbraw/zinc/10/88/57/419108857.db2.gz KTBBFOSYTDHPAE-CRAIPNDOSA-N 2 2 268.404 3.168 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000665296441 419109065 /nfs/dbraw/zinc/10/90/65/419109065.db2.gz SOEQGPOJCCQESE-IINYFYTJSA-N 2 2 286.341 3.354 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000665296313 419109672 /nfs/dbraw/zinc/10/96/72/419109672.db2.gz QIBCFYPFSSQIEG-CMPLNLGQSA-N 2 2 276.380 3.008 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000665296822 419109989 /nfs/dbraw/zinc/10/99/89/419109989.db2.gz YIQDCIMMSQXDFM-ABAIWWIYSA-N 2 2 250.386 3.017 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000665298678 419110040 /nfs/dbraw/zinc/11/00/40/419110040.db2.gz ZUWAUJFCJFAINX-WBMJQRKESA-N 2 2 271.408 3.051 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000665297638 419111037 /nfs/dbraw/zinc/11/10/37/419111037.db2.gz JCLJKEYACCSMLL-NEPJUHHUSA-N 2 2 260.356 3.237 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848723 419119410 /nfs/dbraw/zinc/11/94/10/419119410.db2.gz JZEAEKPOJJNNAT-XIRDDKMYSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848723 419119411 /nfs/dbraw/zinc/11/94/11/419119411.db2.gz JZEAEKPOJJNNAT-XIRDDKMYSA-N 2 2 288.435 3.363 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849295 419120157 /nfs/dbraw/zinc/12/01/57/419120157.db2.gz STYTXRGCAZWTSB-JYJNAYRXSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849295 419120160 /nfs/dbraw/zinc/12/01/60/419120160.db2.gz STYTXRGCAZWTSB-JYJNAYRXSA-N 2 2 274.408 3.264 20 0 CGADLP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653588433 419054943 /nfs/dbraw/zinc/05/49/43/419054943.db2.gz VZBHAKUNCPVLHZ-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP CCC(C)(C)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653588433 419054949 /nfs/dbraw/zinc/05/49/49/419054949.db2.gz VZBHAKUNCPVLHZ-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP c1cc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2[nH]1 ZINC000655856570 419123790 /nfs/dbraw/zinc/12/37/90/419123790.db2.gz NVCSCWAEBCTICJ-DLBZAZTESA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2[nH]1 ZINC000655856570 419123796 /nfs/dbraw/zinc/12/37/96/419123796.db2.gz NVCSCWAEBCTICJ-DLBZAZTESA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655855202 419124129 /nfs/dbraw/zinc/12/41/29/419124129.db2.gz DVMGVCVUEQNCDW-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655855202 419124132 /nfs/dbraw/zinc/12/41/32/419124132.db2.gz DVMGVCVUEQNCDW-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP C1=C[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474300 419150323 /nfs/dbraw/zinc/15/03/23/419150323.db2.gz HPVHNUWKSDDZSA-ROUUACIJSA-N 2 2 292.467 3.062 20 0 CGADLP C1=C[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474300 419150325 /nfs/dbraw/zinc/15/03/25/419150325.db2.gz HPVHNUWKSDDZSA-ROUUACIJSA-N 2 2 292.467 3.062 20 0 CGADLP CN(CC(C)(C)[NH3+])c1cc[nH+]c2c(Cl)cccc12 ZINC000656608684 419186681 /nfs/dbraw/zinc/18/66/81/419186681.db2.gz KMXPVIXDWLVEPW-UHFFFAOYSA-N 2 2 263.772 3.062 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCCSc1ccccc1)CCC2 ZINC000657288858 419243041 /nfs/dbraw/zinc/24/30/41/419243041.db2.gz KQPQYLKULKNDIZ-UHFFFAOYSA-N 2 2 287.432 3.101 20 0 CGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C(C)C)cc1 ZINC000657296364 419244754 /nfs/dbraw/zinc/24/47/54/419244754.db2.gz GQTRKDWOISMQGE-SFHVURJKSA-N 2 2 299.418 3.325 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1(Cc3ccccc3)CCC1)CCC2 ZINC000657395501 419269037 /nfs/dbraw/zinc/26/90/37/419269037.db2.gz VKPPWBDHOGYPNG-UHFFFAOYSA-N 2 2 295.430 3.332 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657336679 419253632 /nfs/dbraw/zinc/25/36/32/419253632.db2.gz XOUDFYIECHBFKN-HNNXBMFYSA-N 2 2 255.365 3.070 20 0 CGADLP Cc1c[nH]c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)[nH+]1 ZINC000657344568 419255892 /nfs/dbraw/zinc/25/58/92/419255892.db2.gz CONCDEAZXITJPA-QGZVFWFLSA-N 2 2 298.434 3.035 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cscn1 ZINC000661422474 419258347 /nfs/dbraw/zinc/25/83/47/419258347.db2.gz ZMKAGJPSIUOCMR-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1c[nH]c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000657368169 419261597 /nfs/dbraw/zinc/26/15/97/419261597.db2.gz SYLFWIQDMOLAAT-HNNXBMFYSA-N 2 2 298.434 3.033 20 0 CGADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000661482555 419263765 /nfs/dbraw/zinc/26/37/65/419263765.db2.gz BGKAUQOSQNDLDL-OAHLLOKOSA-N 2 2 261.344 3.009 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387336 419266812 /nfs/dbraw/zinc/26/68/12/419266812.db2.gz OFOLWYVMWMESDP-TZMCWYRMSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000656676265 419197670 /nfs/dbraw/zinc/19/76/70/419197670.db2.gz NHQNDKXQQUSUAB-WBMJQRKESA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000656676265 419197672 /nfs/dbraw/zinc/19/76/72/419197672.db2.gz NHQNDKXQQUSUAB-WBMJQRKESA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000656675373 419197805 /nfs/dbraw/zinc/19/78/05/419197805.db2.gz DFCBLZRREUTNFB-ZBFHGGJFSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000656675373 419197807 /nfs/dbraw/zinc/19/78/07/419197807.db2.gz DFCBLZRREUTNFB-ZBFHGGJFSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000656676264 419197842 /nfs/dbraw/zinc/19/78/42/419197842.db2.gz NHQNDKXQQUSUAB-MLGOLLRUSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000656676264 419197845 /nfs/dbraw/zinc/19/78/45/419197845.db2.gz NHQNDKXQQUSUAB-MLGOLLRUSA-N 2 2 294.389 3.415 20 0 CGADLP CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853898 419204161 /nfs/dbraw/zinc/20/41/61/419204161.db2.gz KBXDMTVEMVTDAI-UHFFFAOYSA-N 2 2 257.381 3.227 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000657391705 419267792 /nfs/dbraw/zinc/26/77/92/419267792.db2.gz XJMPSKVTXKVLDX-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1[nH+]ccn1-c1ccccc1 ZINC000656774691 419215046 /nfs/dbraw/zinc/21/50/46/419215046.db2.gz ZITUHSLNAWKKQC-UHFFFAOYSA-N 2 2 281.363 3.262 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)c1 ZINC000656791096 419220389 /nfs/dbraw/zinc/22/03/89/419220389.db2.gz DEKNOVYPUKCKPA-WMZOPIPTSA-N 2 2 290.451 3.032 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)c1 ZINC000656791096 419220392 /nfs/dbraw/zinc/22/03/92/419220392.db2.gz DEKNOVYPUKCKPA-WMZOPIPTSA-N 2 2 290.451 3.032 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000666487881 419222317 /nfs/dbraw/zinc/22/23/17/419222317.db2.gz RLJZULGPUABVFT-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000666487881 419222321 /nfs/dbraw/zinc/22/23/21/419222321.db2.gz RLJZULGPUABVFT-QGZVFWFLSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)s1 ZINC000656985032 419225236 /nfs/dbraw/zinc/22/52/36/419225236.db2.gz KFAOQAMZEHLURS-SNVBAGLBSA-N 2 2 286.404 3.258 20 0 CGADLP FC1(F)CCCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657472306 419285831 /nfs/dbraw/zinc/28/58/31/419285831.db2.gz LXIVLMLJOXTJHE-GFCCVEGCSA-N 2 2 283.366 3.135 20 0 CGADLP c1cc2cc(C[NH2+]Cc3c[nH+]c4n3CCC4)ccc2s1 ZINC000657469622 419286375 /nfs/dbraw/zinc/28/63/75/419286375.db2.gz YNLGWSCQCOTLSG-UHFFFAOYSA-N 2 2 283.400 3.334 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000657523154 419296960 /nfs/dbraw/zinc/29/69/60/419296960.db2.gz DVYIMOAZAOJSIL-AWEZNQCLSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000657523154 419296961 /nfs/dbraw/zinc/29/69/61/419296961.db2.gz DVYIMOAZAOJSIL-AWEZNQCLSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000657522285 419297142 /nfs/dbraw/zinc/29/71/42/419297142.db2.gz CMVUBLWWWDIQNG-MRXNPFEDSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000657522285 419297145 /nfs/dbraw/zinc/29/71/45/419297145.db2.gz CMVUBLWWWDIQNG-MRXNPFEDSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522321 419297464 /nfs/dbraw/zinc/29/74/64/419297464.db2.gz CXJKLTDGOGWNIB-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000657526868 419298565 /nfs/dbraw/zinc/29/85/65/419298565.db2.gz NWKVFSJBYVTXBM-FOSCPCJNSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000657526868 419298567 /nfs/dbraw/zinc/29/85/67/419298567.db2.gz NWKVFSJBYVTXBM-FOSCPCJNSA-N 2 2 294.389 3.440 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561857 419304562 /nfs/dbraw/zinc/30/45/62/419304562.db2.gz CXTMZUPKYIXSBQ-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561857 419304564 /nfs/dbraw/zinc/30/45/64/419304564.db2.gz CXTMZUPKYIXSBQ-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562398 419305745 /nfs/dbraw/zinc/30/57/45/419305745.db2.gz HUGVJCCEWCDXEW-CZUORRHYSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562398 419305747 /nfs/dbraw/zinc/30/57/47/419305747.db2.gz HUGVJCCEWCDXEW-CZUORRHYSA-N 2 2 278.415 3.392 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3COCc4ccccc43)n2c1 ZINC000418104712 228052454 /nfs/dbraw/zinc/05/24/54/228052454.db2.gz KLWFGJJHZFDXMS-QGZVFWFLSA-N 2 2 293.370 3.004 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3C(C)(C)C3(F)F)c[nH+]c12 ZINC000657739592 419335117 /nfs/dbraw/zinc/33/51/17/419335117.db2.gz ZWWTYFOTZKRULA-LBPRGKRZSA-N 2 2 279.334 3.024 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C2CC(CF)(CF)C2)[NH+](C)C)cc1 ZINC000657858971 419389843 /nfs/dbraw/zinc/38/98/43/419389843.db2.gz NJDXOCCXPXIYMZ-INIZCTEOSA-N 2 2 296.405 3.275 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000657870551 419395687 /nfs/dbraw/zinc/39/56/87/419395687.db2.gz FIGZRLSXXLNVQA-IUODEOHRSA-N 2 2 268.832 3.201 20 0 CGADLP COCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000662341972 419396978 /nfs/dbraw/zinc/39/69/78/419396978.db2.gz XCJQGIBDUQQPIL-UHFFFAOYSA-N 2 2 299.418 3.311 20 0 CGADLP CCOC1CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000657825898 419374578 /nfs/dbraw/zinc/37/45/78/419374578.db2.gz FMENDRUNXGXIJX-DAWZGUTISA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000662293231 419383857 /nfs/dbraw/zinc/38/38/57/419383857.db2.gz DSHMFMJCUJJBIA-UHFFFAOYSA-N 2 2 284.831 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000662293231 419383862 /nfs/dbraw/zinc/38/38/62/419383862.db2.gz DSHMFMJCUJJBIA-UHFFFAOYSA-N 2 2 284.831 3.296 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658055406 419525336 /nfs/dbraw/zinc/52/53/36/419525336.db2.gz IPXSXZCWJNPPRB-UKRRQHHQSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658055406 419525342 /nfs/dbraw/zinc/52/53/42/419525342.db2.gz IPXSXZCWJNPPRB-UKRRQHHQSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094321 419568076 /nfs/dbraw/zinc/56/80/76/419568076.db2.gz YHIXXXHMABGTMZ-OLZOCXBDSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094321 419568084 /nfs/dbraw/zinc/56/80/84/419568084.db2.gz YHIXXXHMABGTMZ-OLZOCXBDSA-N 2 2 266.454 3.142 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091880 419564339 /nfs/dbraw/zinc/56/43/39/419564339.db2.gz NPAXWRNZUWMDET-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091880 419564347 /nfs/dbraw/zinc/56/43/47/419564347.db2.gz NPAXWRNZUWMDET-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000663512720 419640601 /nfs/dbraw/zinc/64/06/01/419640601.db2.gz HNKPYYDSMZVISF-VHSXEESVSA-N 2 2 275.223 3.122 20 0 CGADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1[nH+]ccc2c(N)cccc21 ZINC000663666908 419671833 /nfs/dbraw/zinc/67/18/33/419671833.db2.gz AJZQUQXDGIOQIV-CQSZACIVSA-N 2 2 298.434 3.128 20 0 CGADLP CN(CC[C@H]1CCCC[N@H+]1C)c1[nH+]ccc2c(N)cccc21 ZINC000663666908 419671839 /nfs/dbraw/zinc/67/18/39/419671839.db2.gz AJZQUQXDGIOQIV-CQSZACIVSA-N 2 2 298.434 3.128 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226257 419684490 /nfs/dbraw/zinc/68/44/90/419684490.db2.gz IGCYGVUXACKVHW-GOEBONIOSA-N 2 2 294.483 3.329 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226257 419684495 /nfs/dbraw/zinc/68/44/95/419684495.db2.gz IGCYGVUXACKVHW-GOEBONIOSA-N 2 2 294.483 3.329 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000658286745 419733315 /nfs/dbraw/zinc/73/33/15/419733315.db2.gz CFRXYPSXNRRRIO-GDBMZVCRSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000658286745 419733324 /nfs/dbraw/zinc/73/33/24/419733324.db2.gz CFRXYPSXNRRRIO-GDBMZVCRSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295213 419741792 /nfs/dbraw/zinc/74/17/92/419741792.db2.gz RGFWHEJDAYSJHR-JOCBIADPSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1nc(NCc2ccc[nH+]c2N2CCCC2)c(C)c(C)[nH+]1 ZINC000664191165 419857421 /nfs/dbraw/zinc/85/74/21/419857421.db2.gz DJZXOWYJTJKOQX-UHFFFAOYSA-N 2 2 297.406 3.009 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000075760877 260166130 /nfs/dbraw/zinc/16/61/30/260166130.db2.gz NQLWYCYKDLUOMX-UHFFFAOYSA-N 2 2 264.388 3.036 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000313281105 260277662 /nfs/dbraw/zinc/27/76/62/260277662.db2.gz KNQLKFOOSKZMAW-SNVBAGLBSA-N 2 2 281.762 3.106 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000020023116 262225770 /nfs/dbraw/zinc/22/57/70/262225770.db2.gz QQZYQVKCGGMRMQ-HYVNUMGLSA-N 2 2 260.425 3.458 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000037154393 270028818 /nfs/dbraw/zinc/02/88/18/270028818.db2.gz BJOMJUYOEMPWCD-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000040771706 270030190 /nfs/dbraw/zinc/03/01/90/270030190.db2.gz ZPMUSYVQKRMMNS-MRXNPFEDSA-N 2 2 260.425 3.112 20 0 CGADLP Clc1ccc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685962 270037394 /nfs/dbraw/zinc/03/73/94/270037394.db2.gz LJFYEUJGQXDLEC-OGVSOVDVSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1ccc(C2CC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685962 270037395 /nfs/dbraw/zinc/03/73/95/270037395.db2.gz LJFYEUJGQXDLEC-OGVSOVDVSA-N 2 2 290.838 3.412 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000193936997 270080334 /nfs/dbraw/zinc/08/03/34/270080334.db2.gz QXBKVIDXFWYWOT-HNNXBMFYSA-N 2 2 298.858 3.205 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000227282015 270086967 /nfs/dbraw/zinc/08/69/67/270086967.db2.gz LJFGCOBLBWBOGW-OAHLLOKOSA-N 2 2 278.415 3.488 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000227282015 270086968 /nfs/dbraw/zinc/08/69/68/270086968.db2.gz LJFGCOBLBWBOGW-OAHLLOKOSA-N 2 2 278.415 3.488 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328201445 270095234 /nfs/dbraw/zinc/09/52/34/270095234.db2.gz SWYVRTJLLOQECA-INIZCTEOSA-N 2 2 264.457 3.421 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C(C)C)n1)CC(C)C ZINC000521594249 270102546 /nfs/dbraw/zinc/10/25/46/270102546.db2.gz VTEZRKDIIFNODV-HNNXBMFYSA-N 2 2 292.471 3.190 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000527359069 270127599 /nfs/dbraw/zinc/12/75/99/270127599.db2.gz GCMHOBDPEXDZJU-NWGLXNPWSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000527359069 270127600 /nfs/dbraw/zinc/12/76/00/270127600.db2.gz GCMHOBDPEXDZJU-NWGLXNPWSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527752989 270134529 /nfs/dbraw/zinc/13/45/29/270134529.db2.gz RAHGHANNKTXIDP-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527752989 270134530 /nfs/dbraw/zinc/13/45/30/270134530.db2.gz RAHGHANNKTXIDP-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1C ZINC000527805430 270137336 /nfs/dbraw/zinc/13/73/36/270137336.db2.gz ADWDSFOOHDXEAE-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1C ZINC000527805430 270137337 /nfs/dbraw/zinc/13/73/37/270137337.db2.gz ADWDSFOOHDXEAE-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000527805763 270137430 /nfs/dbraw/zinc/13/74/30/270137430.db2.gz HVBWLJKATGPFNN-PKOBYXMFSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC000527805763 270137431 /nfs/dbraw/zinc/13/74/31/270137431.db2.gz HVBWLJKATGPFNN-PKOBYXMFSA-N 2 2 284.447 3.150 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808793 270137801 /nfs/dbraw/zinc/13/78/01/270137801.db2.gz LNWMAGULXCKSOM-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808793 270137802 /nfs/dbraw/zinc/13/78/02/270137802.db2.gz LNWMAGULXCKSOM-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527862713 270140486 /nfs/dbraw/zinc/14/04/86/270140486.db2.gz HSILOOBODXJFBT-SZMVWBNQSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527862713 270140487 /nfs/dbraw/zinc/14/04/87/270140487.db2.gz HSILOOBODXJFBT-SZMVWBNQSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC12CC2 ZINC000527862009 270140190 /nfs/dbraw/zinc/14/01/90/270140190.db2.gz DYAFGASDPDCWLL-CZUORRHYSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954433 270146780 /nfs/dbraw/zinc/14/67/80/270146780.db2.gz ZNZAIUXDUWOKKK-YOEHRIQHSA-N 2 2 288.435 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954433 270146781 /nfs/dbraw/zinc/14/67/81/270146781.db2.gz ZNZAIUXDUWOKKK-YOEHRIQHSA-N 2 2 288.435 3.450 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000528004853 270150604 /nfs/dbraw/zinc/15/06/04/270150604.db2.gz XVWUOINKYXZJFR-OEAJRASXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000528004853 270150605 /nfs/dbraw/zinc/15/06/05/270150605.db2.gz XVWUOINKYXZJFR-OEAJRASXSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528004718 270150655 /nfs/dbraw/zinc/15/06/55/270150655.db2.gz WRTJGNILQJWRGI-PBHICJAKSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528004718 270150656 /nfs/dbraw/zinc/15/06/56/270150656.db2.gz WRTJGNILQJWRGI-PBHICJAKSA-N 2 2 273.424 3.058 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010958 270151234 /nfs/dbraw/zinc/15/12/34/270151234.db2.gz KVAVYVMDCXINOA-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010958 270151235 /nfs/dbraw/zinc/15/12/35/270151235.db2.gz KVAVYVMDCXINOA-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc(C)c1O ZINC000529670084 270187441 /nfs/dbraw/zinc/18/74/41/270187441.db2.gz QXIYAJQSMUBUJK-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc(C)c1O ZINC000529670084 270187442 /nfs/dbraw/zinc/18/74/42/270187442.db2.gz QXIYAJQSMUBUJK-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530223746 270196537 /nfs/dbraw/zinc/19/65/37/270196537.db2.gz UZSMESNGWNSXTD-RDJZCZTQSA-N 2 2 286.419 3.083 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccsc1)CCC2 ZINC000531731890 270209132 /nfs/dbraw/zinc/20/91/32/270209132.db2.gz BFLNGORDKSXXNM-WFASDCNBSA-N 2 2 289.448 3.351 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531735315 270209229 /nfs/dbraw/zinc/20/92/29/270209229.db2.gz ZFVHBXRCJIHXLT-CCKFTAQKSA-N 2 2 284.447 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531735315 270209230 /nfs/dbraw/zinc/20/92/30/270209230.db2.gz ZFVHBXRCJIHXLT-CCKFTAQKSA-N 2 2 284.447 3.080 20 0 CGADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000531936922 270211084 /nfs/dbraw/zinc/21/10/84/270211084.db2.gz SMWGIRFPPAOJHQ-STQMWFEESA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000531936922 270211085 /nfs/dbraw/zinc/21/10/85/270211085.db2.gz SMWGIRFPPAOJHQ-STQMWFEESA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984542 270212231 /nfs/dbraw/zinc/21/22/31/270212231.db2.gz KCXMKWFLJNENMY-WBVHZDCISA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984542 270212232 /nfs/dbraw/zinc/21/22/32/270212232.db2.gz KCXMKWFLJNENMY-WBVHZDCISA-N 2 2 288.435 3.140 20 0 CGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C(C)(C)C ZINC000532232758 270214501 /nfs/dbraw/zinc/21/45/01/270214501.db2.gz KINDQKBGYQPSRQ-INIZCTEOSA-N 2 2 296.499 3.293 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000532511675 270216533 /nfs/dbraw/zinc/21/65/33/270216533.db2.gz RNIBZRNDGIKPBN-JKSUJKDBSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000532511675 270216534 /nfs/dbraw/zinc/21/65/34/270216534.db2.gz RNIBZRNDGIKPBN-JKSUJKDBSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423309706 273615635 /nfs/dbraw/zinc/61/56/35/273615635.db2.gz LVCQDLIBPHDMEL-BLLLJJGKSA-N 2 2 264.388 3.038 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423388284 273971383 /nfs/dbraw/zinc/97/13/83/273971383.db2.gz KKBHPNUTQYUTHQ-SDBXPKJASA-N 2 2 273.207 3.178 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123418721 274316557 /nfs/dbraw/zinc/31/65/57/274316557.db2.gz SJGOIMCHPNBDPX-OKILXGFUSA-N 2 2 255.365 3.245 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123418721 274316558 /nfs/dbraw/zinc/31/65/58/274316558.db2.gz SJGOIMCHPNBDPX-OKILXGFUSA-N 2 2 255.365 3.245 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177904 274880448 /nfs/dbraw/zinc/88/04/48/274880448.db2.gz BFFLIGBOYYBNOU-YGRLFVJLSA-N 2 2 285.218 3.322 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000365799373 275394676 /nfs/dbraw/zinc/39/46/76/275394676.db2.gz XGXXDKSFXGRITF-IIIMJFFVSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000365799373 275394677 /nfs/dbraw/zinc/39/46/77/275394677.db2.gz XGXXDKSFXGRITF-IIIMJFFVSA-N 2 2 292.467 3.085 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075273 276174540 /nfs/dbraw/zinc/17/45/40/276174540.db2.gz YFLBCXQRIFAJAG-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075273 276174541 /nfs/dbraw/zinc/17/45/41/276174541.db2.gz YFLBCXQRIFAJAG-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000156574185 276187721 /nfs/dbraw/zinc/18/77/21/276187721.db2.gz CJOLCSBHQSKKEO-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000156574185 276187723 /nfs/dbraw/zinc/18/77/23/276187723.db2.gz CJOLCSBHQSKKEO-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423385243 276270757 /nfs/dbraw/zinc/27/07/57/276270757.db2.gz QRVNLNQRXHHBEC-SCVCMEIPSA-N 2 2 270.467 3.261 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115559 276373094 /nfs/dbraw/zinc/37/30/94/276373094.db2.gz VPAQBMGRIFFEAH-WXRRBKDZSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115559 276373097 /nfs/dbraw/zinc/37/30/97/276373097.db2.gz VPAQBMGRIFFEAH-WXRRBKDZSA-N 2 2 278.362 3.181 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccc(F)cc2C1 ZINC000441062754 277044891 /nfs/dbraw/zinc/04/48/91/277044891.db2.gz MRLQSENSQCXFGX-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccc(F)cc2C1 ZINC000441062754 277044892 /nfs/dbraw/zinc/04/48/92/277044892.db2.gz MRLQSENSQCXFGX-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441062754 277044893 /nfs/dbraw/zinc/04/48/93/277044893.db2.gz MRLQSENSQCXFGX-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000441062754 277044894 /nfs/dbraw/zinc/04/48/94/277044894.db2.gz MRLQSENSQCXFGX-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178651171 277064644 /nfs/dbraw/zinc/06/46/44/277064644.db2.gz JPHUTXICMACFSP-CJNGLKHVSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178651171 277064645 /nfs/dbraw/zinc/06/46/45/277064645.db2.gz JPHUTXICMACFSP-CJNGLKHVSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977831 277145926 /nfs/dbraw/zinc/14/59/26/277145926.db2.gz HWZJIVWGYPGTQK-UKRRQHHQSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977831 277145927 /nfs/dbraw/zinc/14/59/27/277145927.db2.gz HWZJIVWGYPGTQK-UKRRQHHQSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977831 277145928 /nfs/dbraw/zinc/14/59/28/277145928.db2.gz HWZJIVWGYPGTQK-UKRRQHHQSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977831 277145929 /nfs/dbraw/zinc/14/59/29/277145929.db2.gz HWZJIVWGYPGTQK-UKRRQHHQSA-N 2 2 298.352 3.231 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000395195502 288007140 /nfs/dbraw/zinc/00/71/40/288007140.db2.gz CFCYIIRVVYGNFJ-HNNXBMFYSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395195502 288007141 /nfs/dbraw/zinc/00/71/41/288007141.db2.gz CFCYIIRVVYGNFJ-HNNXBMFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423334702 278184254 /nfs/dbraw/zinc/18/42/54/278184254.db2.gz SJFZDGYORKSDIB-SVRRBLITSA-N 2 2 279.236 3.369 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337447103 278215647 /nfs/dbraw/zinc/21/56/47/278215647.db2.gz GWPSXQDFWWSXLN-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337447103 278215648 /nfs/dbraw/zinc/21/56/48/278215648.db2.gz GWPSXQDFWWSXLN-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423404316 278222503 /nfs/dbraw/zinc/22/25/03/278222503.db2.gz ZVQJXFRIKQXYOR-SJORKVTESA-N 2 2 287.451 3.291 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137891 278284818 /nfs/dbraw/zinc/28/48/18/278284818.db2.gz SJWHTBRJFHFFLV-MDZLAQPJSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137891 278284819 /nfs/dbraw/zinc/28/48/19/278284819.db2.gz SJWHTBRJFHFFLV-MDZLAQPJSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000346219144 278334461 /nfs/dbraw/zinc/33/44/61/278334461.db2.gz RCSDWGIGERZKSS-DZGCQCFKSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(C)CC1 ZINC000090667347 278336200 /nfs/dbraw/zinc/33/62/00/278336200.db2.gz LJUJJGHKTWPKKI-LSDHHAIUSA-N 2 2 287.451 3.385 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000427874902 278399625 /nfs/dbraw/zinc/39/96/25/278399625.db2.gz NVPGPWLVFODZSM-OCCSQVGLSA-N 2 2 285.391 3.094 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000346792916 288066825 /nfs/dbraw/zinc/06/68/25/288066825.db2.gz DVVJQOXNFWUBTM-XOKHGSTOSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000346792916 288066827 /nfs/dbraw/zinc/06/68/27/288066827.db2.gz DVVJQOXNFWUBTM-XOKHGSTOSA-N 2 2 276.424 3.219 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449356 279037814 /nfs/dbraw/zinc/03/78/14/279037814.db2.gz NQAHFYZRPHQULG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449356 279037815 /nfs/dbraw/zinc/03/78/15/279037815.db2.gz NQAHFYZRPHQULG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449356 279037816 /nfs/dbraw/zinc/03/78/16/279037816.db2.gz NQAHFYZRPHQULG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449356 279037817 /nfs/dbraw/zinc/03/78/17/279037817.db2.gz NQAHFYZRPHQULG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000159275263 279262522 /nfs/dbraw/zinc/26/25/22/279262522.db2.gz BYLABYRTEIHARX-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000423390061 279516819 /nfs/dbraw/zinc/51/68/19/279516819.db2.gz VQAPPGPMUDUUEA-DGCLKSJQSA-N 2 2 260.381 3.390 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000334908516 279550615 /nfs/dbraw/zinc/55/06/15/279550615.db2.gz DAAVOGXADABFRM-FZMZJTMJSA-N 2 2 275.783 3.202 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000337241084 279681468 /nfs/dbraw/zinc/68/14/68/279681468.db2.gz FMVJPWYZKDFDFB-BFYDXBDKSA-N 2 2 278.440 3.081 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633199 288178717 /nfs/dbraw/zinc/17/87/17/288178717.db2.gz TXAFWTSJFWORDA-FCLVOEFKSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633199 288178719 /nfs/dbraw/zinc/17/87/19/288178719.db2.gz TXAFWTSJFWORDA-FCLVOEFKSA-N 2 2 284.447 3.285 20 0 CGADLP c1cc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2[nH]1 ZINC000527723928 288192745 /nfs/dbraw/zinc/19/27/45/288192745.db2.gz CTDYNSSYIMJBQJ-FUHWJXTLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2[nH]1 ZINC000527723928 288192747 /nfs/dbraw/zinc/19/27/47/288192747.db2.gz CTDYNSSYIMJBQJ-FUHWJXTLSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@H]3CC=CCC3)n2c1 ZINC000527789819 288194852 /nfs/dbraw/zinc/19/48/52/288194852.db2.gz OLHMJUJHTQMCRQ-HNNXBMFYSA-N 2 2 269.392 3.479 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000233900816 280189202 /nfs/dbraw/zinc/18/92/02/280189202.db2.gz VLDHRBKFAQHCJE-UONOGXRCSA-N 2 2 252.789 3.133 20 0 CGADLP COc1cccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528625106 288209954 /nfs/dbraw/zinc/20/99/54/288209954.db2.gz MSBJBBIOJROLBJ-QGZVFWFLSA-N 2 2 299.418 3.017 20 0 CGADLP COc1cccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528625106 288209959 /nfs/dbraw/zinc/20/99/59/288209959.db2.gz MSBJBBIOJROLBJ-QGZVFWFLSA-N 2 2 299.418 3.017 20 0 CGADLP C(=C/Cn1cc[nH+]c1C1CC1)\Cn1cc[nH+]c1C1CC1 ZINC000530130068 288288596 /nfs/dbraw/zinc/28/85/96/288288596.db2.gz NJMSVHQVZJARLK-OWOJBTEDSA-N 2 2 268.364 3.091 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000133176384 281111107 /nfs/dbraw/zinc/11/11/07/281111107.db2.gz ZKGQXYMNJDFLPR-GDBMZVCRSA-N 2 2 258.409 3.042 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177532 288294801 /nfs/dbraw/zinc/29/48/01/288294801.db2.gz JTWPHEHTVMXGNJ-ZDUSSCGKSA-N 2 2 284.325 3.080 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178667 288295958 /nfs/dbraw/zinc/29/59/58/288295958.db2.gz PQTVCVPIFGBIRG-OAHLLOKOSA-N 2 2 272.417 3.276 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2)c1 ZINC000530179121 288295972 /nfs/dbraw/zinc/29/59/72/288295972.db2.gz UARDVOYZUZIYSK-SFHVURJKSA-N 2 2 293.414 3.123 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178504 288295976 /nfs/dbraw/zinc/29/59/76/288295976.db2.gz ZCDKNBXKLFQSPY-KRWDZBQOSA-N 2 2 266.388 3.214 20 0 CGADLP Cc1cccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000281906125 281226582 /nfs/dbraw/zinc/22/65/82/281226582.db2.gz NAMWOGNBXNFMEL-OAHLLOKOSA-N 2 2 296.418 3.307 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000342576279 281345857 /nfs/dbraw/zinc/34/58/57/281345857.db2.gz LGRWWDNMWQGFHP-MSOLQXFVSA-N 2 2 295.430 3.117 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000531702373 288341114 /nfs/dbraw/zinc/34/11/14/288341114.db2.gz RGHJBPYOOHMDKR-ZDUSSCGKSA-N 2 2 261.369 3.170 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453185957 281663665 /nfs/dbraw/zinc/66/36/65/281663665.db2.gz WFHYTSDHQQWALH-KRWDZBQOSA-N 2 2 258.409 3.491 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc2ccccc21 ZINC000532203309 288355530 /nfs/dbraw/zinc/35/55/30/288355530.db2.gz QCQLVFNAGMWYAV-DEYYWGMASA-N 2 2 268.404 3.441 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc2ccccc21 ZINC000532203309 288355531 /nfs/dbraw/zinc/35/55/31/288355531.db2.gz QCQLVFNAGMWYAV-DEYYWGMASA-N 2 2 268.404 3.441 20 0 CGADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000532246655 288358602 /nfs/dbraw/zinc/35/86/02/288358602.db2.gz ASGONKWMLOBIRD-LSDHHAIUSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000532246655 288358604 /nfs/dbraw/zinc/35/86/04/288358604.db2.gz ASGONKWMLOBIRD-LSDHHAIUSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464491 288362790 /nfs/dbraw/zinc/36/27/90/288362790.db2.gz VVZLHCIVICXOJW-CZUORRHYSA-N 2 2 260.425 3.024 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464491 288362791 /nfs/dbraw/zinc/36/27/91/288362791.db2.gz VVZLHCIVICXOJW-CZUORRHYSA-N 2 2 260.425 3.024 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540635 288366174 /nfs/dbraw/zinc/36/61/74/288366174.db2.gz AJGCBJVNARCUCD-JXFKEZNVSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540635 288366179 /nfs/dbraw/zinc/36/61/79/288366179.db2.gz AJGCBJVNARCUCD-JXFKEZNVSA-N 2 2 294.442 3.436 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000543592147 288811003 /nfs/dbraw/zinc/81/10/03/288811003.db2.gz AKDHXZNFSYKLOR-MRXNPFEDSA-N 2 2 272.396 3.189 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)C(F)(F)F)n2c1 ZINC000548860011 289025873 /nfs/dbraw/zinc/02/58/73/289025873.db2.gz JBJRTEMANROSPI-UHFFFAOYSA-N 2 2 285.313 3.321 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000552051782 289155751 /nfs/dbraw/zinc/15/57/51/289155751.db2.gz GJLDWWIWIJFPPW-OWCLPIDISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000552051782 289155752 /nfs/dbraw/zinc/15/57/52/289155752.db2.gz GJLDWWIWIJFPPW-OWCLPIDISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000556873578 289416206 /nfs/dbraw/zinc/41/62/06/289416206.db2.gz WWTYHIVWVJQOPX-HUUCEWRRSA-N 2 2 261.413 3.298 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000414118193 295237808 /nfs/dbraw/zinc/23/78/08/295237808.db2.gz UQQJHQDXNKFYAL-SUNYJGFJSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000414118193 295237812 /nfs/dbraw/zinc/23/78/12/295237812.db2.gz UQQJHQDXNKFYAL-SUNYJGFJSA-N 2 2 288.435 3.137 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038119 303131775 /nfs/dbraw/zinc/13/17/75/303131775.db2.gz XXCLSQXPJYEONC-SUMWQHHRSA-N 2 2 294.389 3.491 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038119 303131777 /nfs/dbraw/zinc/13/17/77/303131777.db2.gz XXCLSQXPJYEONC-SUMWQHHRSA-N 2 2 294.389 3.491 20 0 CGADLP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000262973625 303381692 /nfs/dbraw/zinc/38/16/92/303381692.db2.gz LZTMXULKXCVRBL-AWEZNQCLSA-N 2 2 252.789 3.216 20 0 CGADLP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000262973625 303381695 /nfs/dbraw/zinc/38/16/95/303381695.db2.gz LZTMXULKXCVRBL-AWEZNQCLSA-N 2 2 252.789 3.216 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cs1 ZINC000580307966 327777271 /nfs/dbraw/zinc/77/72/71/327777271.db2.gz LQRRAZLZWBFXAM-LBPRGKRZSA-N 2 2 275.421 3.302 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000387787032 327812200 /nfs/dbraw/zinc/81/22/00/327812200.db2.gz FIVTXGYYKUJUSV-CABCVRRESA-N 2 2 269.392 3.316 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000564105612 322021087 /nfs/dbraw/zinc/02/10/87/322021087.db2.gz CFOWIYYJTYINKX-WBVHZDCISA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564105612 322021088 /nfs/dbraw/zinc/02/10/88/322021088.db2.gz CFOWIYYJTYINKX-WBVHZDCISA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000564420013 322030440 /nfs/dbraw/zinc/03/04/40/322030440.db2.gz NDKYEHIIGSPFKU-BARDWOONSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000564420013 322030442 /nfs/dbraw/zinc/03/04/42/322030442.db2.gz NDKYEHIIGSPFKU-BARDWOONSA-N 2 2 275.440 3.317 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000564524675 322033481 /nfs/dbraw/zinc/03/34/81/322033481.db2.gz ZVCIJNGSLYUDKJ-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000564524675 322033482 /nfs/dbraw/zinc/03/34/82/322033482.db2.gz ZVCIJNGSLYUDKJ-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)n1C ZINC000564587494 322035615 /nfs/dbraw/zinc/03/56/15/322035615.db2.gz YDHSHUMLCXYGPZ-UHFFFAOYSA-N 2 2 289.810 3.247 20 0 CGADLP CC(C)c1nc(N2CCC[C@H](C[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000564787787 322043104 /nfs/dbraw/zinc/04/31/04/322043104.db2.gz CVVQBOCNIXIUDI-CYBMUJFWSA-N 2 2 290.455 3.073 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000564823792 322044945 /nfs/dbraw/zinc/04/49/45/322044945.db2.gz KIUOEUBIGVJNNL-ZLIFDBKOSA-N 2 2 284.407 3.259 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000564823142 322045000 /nfs/dbraw/zinc/04/50/00/322045000.db2.gz SRDQNBOFYCWEIK-GOSISDBHSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000565159310 322063356 /nfs/dbraw/zinc/06/33/56/322063356.db2.gz YMRAYKVKCAGCKZ-GWCFXTLKSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000565159310 322063358 /nfs/dbraw/zinc/06/33/58/322063358.db2.gz YMRAYKVKCAGCKZ-GWCFXTLKSA-N 2 2 297.240 3.069 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000565218801 322067546 /nfs/dbraw/zinc/06/75/46/322067546.db2.gz PAXNLWRVHGISFE-UHFFFAOYSA-N 2 2 293.461 3.054 20 0 CGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000565892383 322095845 /nfs/dbraw/zinc/09/58/45/322095845.db2.gz FNBGZQVFRMNJAX-AWEZNQCLSA-N 2 2 276.424 3.000 20 0 CGADLP CSc1ccccc1C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565962698 322099026 /nfs/dbraw/zinc/09/90/26/322099026.db2.gz UXXAHSXWRANLIH-UHFFFAOYSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccccc1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565962698 322099028 /nfs/dbraw/zinc/09/90/28/322099028.db2.gz UXXAHSXWRANLIH-UHFFFAOYSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000566092696 322104143 /nfs/dbraw/zinc/10/41/43/322104143.db2.gz ISQVLBVOHWBDGR-SOLBZPMBSA-N 2 2 299.393 3.170 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cs1 ZINC000566415386 322120888 /nfs/dbraw/zinc/12/08/88/322120888.db2.gz DCWFXNGRCSPFIS-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cs1 ZINC000566415386 322120891 /nfs/dbraw/zinc/12/08/91/322120891.db2.gz DCWFXNGRCSPFIS-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP Cc1ccc2cc[nH+]c(NC[C@@H](C3CC3)[NH+](C)C)c2c1 ZINC000567162614 322152563 /nfs/dbraw/zinc/15/25/63/322152563.db2.gz CLWIXRKLOJWSJB-INIZCTEOSA-N 2 2 269.392 3.295 20 0 CGADLP C[C@H](CC[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000567321370 322158509 /nfs/dbraw/zinc/15/85/09/322158509.db2.gz QJRQOSNOPNDNQZ-NVXWUHKLSA-N 2 2 292.492 3.207 20 0 CGADLP C[C@@H]1c2ccsc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000567363518 322160635 /nfs/dbraw/zinc/16/06/35/322160635.db2.gz JYWZQEJSDADJOK-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP C[C@@H]1c2ccsc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000567363518 322160637 /nfs/dbraw/zinc/16/06/37/322160637.db2.gz JYWZQEJSDADJOK-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP C[C@H]1c2ccsc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000567363519 322160709 /nfs/dbraw/zinc/16/07/09/322160709.db2.gz JYWZQEJSDADJOK-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP C[C@H]1c2ccsc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000567363519 322160711 /nfs/dbraw/zinc/16/07/11/322160711.db2.gz JYWZQEJSDADJOK-LBPRGKRZSA-N 2 2 275.421 3.034 20 0 CGADLP CC(C)[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000567749967 322175818 /nfs/dbraw/zinc/17/58/18/322175818.db2.gz BJTUYPOIUIHNKC-UHFFFAOYSA-N 2 2 287.382 3.081 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000569788686 322257229 /nfs/dbraw/zinc/25/72/29/322257229.db2.gz WQLFLTXJMKBXMH-AWEZNQCLSA-N 2 2 293.480 3.275 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000569788686 322257230 /nfs/dbraw/zinc/25/72/30/322257230.db2.gz WQLFLTXJMKBXMH-AWEZNQCLSA-N 2 2 293.480 3.275 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128042 322265434 /nfs/dbraw/zinc/26/54/34/322265434.db2.gz RWQBYTGNSCFFSU-DGCLKSJQSA-N 2 2 266.454 3.357 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128042 322265436 /nfs/dbraw/zinc/26/54/36/322265436.db2.gz RWQBYTGNSCFFSU-DGCLKSJQSA-N 2 2 266.454 3.357 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)COC2 ZINC000570182504 322267423 /nfs/dbraw/zinc/26/74/23/322267423.db2.gz KETRFTMTXQVHCI-CYBMUJFWSA-N 2 2 297.402 3.100 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000571220900 322293446 /nfs/dbraw/zinc/29/34/46/322293446.db2.gz KMSSOFKEELKHEX-OAGGEKHMSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000571220900 322293447 /nfs/dbraw/zinc/29/34/47/322293447.db2.gz KMSSOFKEELKHEX-OAGGEKHMSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCc1c[nH+]cn1C ZINC000571533455 322301425 /nfs/dbraw/zinc/30/14/25/322301425.db2.gz TUQALCKHSKUDTQ-FMKPAKJESA-N 2 2 261.413 3.006 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCc1c[nH+]cn1C ZINC000571533455 322301426 /nfs/dbraw/zinc/30/14/26/322301426.db2.gz TUQALCKHSKUDTQ-FMKPAKJESA-N 2 2 261.413 3.006 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722545 322306149 /nfs/dbraw/zinc/30/61/49/322306149.db2.gz HWTQZYMIKNOPCE-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722545 322306151 /nfs/dbraw/zinc/30/61/51/322306151.db2.gz HWTQZYMIKNOPCE-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722545 322306153 /nfs/dbraw/zinc/30/61/53/322306153.db2.gz HWTQZYMIKNOPCE-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722545 322306154 /nfs/dbraw/zinc/30/61/54/322306154.db2.gz HWTQZYMIKNOPCE-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1cccc(CCn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)[nH+]1 ZINC000399709780 326809561 /nfs/dbraw/zinc/80/95/61/326809561.db2.gz CUHISYIPIASGOU-QWHCGFSZSA-N 2 2 269.392 3.200 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582526007 329107133 /nfs/dbraw/zinc/10/71/33/329107133.db2.gz XWNNJAKGXOHQQF-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000582526007 329107135 /nfs/dbraw/zinc/10/71/35/329107135.db2.gz XWNNJAKGXOHQQF-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000582755215 329144675 /nfs/dbraw/zinc/14/46/75/329144675.db2.gz JZHXCVCZNLAWIZ-ZBFHGGJFSA-N 2 2 283.419 3.459 20 0 CGADLP C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000395256460 329285142 /nfs/dbraw/zinc/28/51/42/329285142.db2.gz HGVZOXUXSJWVEO-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000395256460 329285143 /nfs/dbraw/zinc/28/51/43/329285143.db2.gz HGVZOXUXSJWVEO-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP COCCC1(C[NH2+][C@@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000576412169 335201171 /nfs/dbraw/zinc/20/11/71/335201171.db2.gz WXPXOGQBHJGZPS-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP COCCC1(C[NH2+][C@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000576412172 335201176 /nfs/dbraw/zinc/20/11/76/335201176.db2.gz WXPXOGQBHJGZPS-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000580572404 335286091 /nfs/dbraw/zinc/28/60/91/335286091.db2.gz UYRDGNIDWQFLPK-NWDGAFQWSA-N 2 2 289.345 3.187 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1F ZINC000577516177 335363390 /nfs/dbraw/zinc/36/33/90/335363390.db2.gz NMSXAUAPPFAWKB-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1F ZINC000577516177 335363392 /nfs/dbraw/zinc/36/33/92/335363392.db2.gz NMSXAUAPPFAWKB-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(CCC(C)C)c[nH+]1 ZINC000581351023 336057501 /nfs/dbraw/zinc/05/75/01/336057501.db2.gz UYSYTDWYSHIZMU-UHFFFAOYSA-N 2 2 272.396 3.499 20 0 CGADLP CC/C=C/C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000384804010 336131517 /nfs/dbraw/zinc/13/15/17/336131517.db2.gz YYNIAJWNCYDIHY-XBXARRHUSA-N 2 2 255.365 3.237 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388208 336193401 /nfs/dbraw/zinc/19/34/01/336193401.db2.gz HXPFQHIDIKGRAO-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388208 336193403 /nfs/dbraw/zinc/19/34/03/336193403.db2.gz HXPFQHIDIKGRAO-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000422771227 501087571 /nfs/dbraw/zinc/08/75/71/501087571.db2.gz XFDJKZZOZWSXTM-RZRMAFQFSA-N 2 2 293.414 3.044 20 0 CGADLP C[C@H]([NH2+]CCOCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000419244902 533859268 /nfs/dbraw/zinc/85/92/68/533859268.db2.gz KONXLXPLFMWCQH-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnc2ccsc2c1 ZINC000368104701 533993530 /nfs/dbraw/zinc/99/35/30/533993530.db2.gz IVNRXPUIYOXDSJ-CMPLNLGQSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cnc2ccsc2c1 ZINC000368104701 533993537 /nfs/dbraw/zinc/99/35/37/533993537.db2.gz IVNRXPUIYOXDSJ-CMPLNLGQSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@@H]1CC[N@H+](CCSC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000369206936 534034165 /nfs/dbraw/zinc/03/41/65/534034165.db2.gz OKAPYWWLSOPJHL-ZIAGYGMSSA-N 2 2 281.469 3.298 20 0 CGADLP C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000369206936 534034175 /nfs/dbraw/zinc/03/41/75/534034175.db2.gz OKAPYWWLSOPJHL-ZIAGYGMSSA-N 2 2 281.469 3.298 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000358203325 534109994 /nfs/dbraw/zinc/10/99/94/534109994.db2.gz NVSXFORQGICKHX-HOCLYGCPSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000358203325 534110006 /nfs/dbraw/zinc/11/00/06/534110006.db2.gz NVSXFORQGICKHX-HOCLYGCPSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc2c1 ZINC000423237888 534473541 /nfs/dbraw/zinc/47/35/41/534473541.db2.gz QIRQXXCRMKOUFC-GXTWGEPZSA-N 2 2 258.365 3.144 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423357119 534494040 /nfs/dbraw/zinc/49/40/40/534494040.db2.gz HUDFKSCHWBYYNJ-AEFFLSMTSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(C)(C)C)CCC2 ZINC000449166731 534510457 /nfs/dbraw/zinc/51/04/57/534510457.db2.gz FXKMQTBSJOALSJ-TZMCWYRMSA-N 2 2 263.429 3.483 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](Cc1ccccc1)C1CC1)CCCC2 ZINC000367439321 534537431 /nfs/dbraw/zinc/53/74/31/534537431.db2.gz SXYHVWQMINUZJY-SFHVURJKSA-N 2 2 295.430 3.330 20 0 CGADLP CC[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000088296588 522025182 /nfs/dbraw/zinc/02/51/82/522025182.db2.gz HRNSIUBRZNLIPU-CABCVRRESA-N 2 2 275.440 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414071809 534685189 /nfs/dbraw/zinc/68/51/89/534685189.db2.gz UKGCMWFLHWKZFA-GZBFAFLISA-N 2 2 271.408 3.369 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000449029716 534710435 /nfs/dbraw/zinc/71/04/35/534710435.db2.gz POOIBQNBIMWCJF-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000449029716 534710443 /nfs/dbraw/zinc/71/04/43/534710443.db2.gz POOIBQNBIMWCJF-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)c1 ZINC000427878403 534727200 /nfs/dbraw/zinc/72/72/00/534727200.db2.gz AFYLHMCONSMGKC-ROUUACIJSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1cccc(NC2CCN(c3cccc(C)[nH+]3)CC2)[nH+]1 ZINC000157593325 524670620 /nfs/dbraw/zinc/67/06/20/524670620.db2.gz UNFSRGQWFRFTLI-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133821 525600972 /nfs/dbraw/zinc/60/09/72/525600972.db2.gz QRVFMOUQTMXQBI-KRWDZBQOSA-N 2 2 299.418 3.394 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151542429 525734980 /nfs/dbraw/zinc/73/49/80/525734980.db2.gz ZYKLYMOEVYCXLV-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473833 526469797 /nfs/dbraw/zinc/46/97/97/526469797.db2.gz XHDKNYKDBUSURF-INIZCTEOSA-N 2 2 267.376 3.016 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473833 526469802 /nfs/dbraw/zinc/46/98/02/526469802.db2.gz XHDKNYKDBUSURF-INIZCTEOSA-N 2 2 267.376 3.016 20 0 CGADLP CC(C)(C)SCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000369204157 526604529 /nfs/dbraw/zinc/60/45/29/526604529.db2.gz FIPOYGIKOGXXPE-GFCCVEGCSA-N 2 2 267.442 3.121 20 0 CGADLP CC(C)(C)SCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000369204157 526604535 /nfs/dbraw/zinc/60/45/35/526604535.db2.gz FIPOYGIKOGXXPE-GFCCVEGCSA-N 2 2 267.442 3.121 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000157343479 526943832 /nfs/dbraw/zinc/94/38/32/526943832.db2.gz RRLMNXVIFUICLQ-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000157343479 526943835 /nfs/dbraw/zinc/94/38/35/526943835.db2.gz RRLMNXVIFUICLQ-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367417050 527534343 /nfs/dbraw/zinc/53/43/43/527534343.db2.gz ZPZYJELEQQNEOV-RVDMUPIBSA-N 2 2 281.403 3.413 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449397842 527632204 /nfs/dbraw/zinc/63/22/04/527632204.db2.gz RXUHQGINVVVVJW-JCYILVPMSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449397842 527632212 /nfs/dbraw/zinc/63/22/12/527632212.db2.gz RXUHQGINVVVVJW-JCYILVPMSA-N 2 2 296.499 3.028 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155931450 527663599 /nfs/dbraw/zinc/66/35/99/527663599.db2.gz ZMJCNYCFGJAGOT-CYBMUJFWSA-N 2 2 288.313 3.267 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155931450 527663603 /nfs/dbraw/zinc/66/36/03/527663603.db2.gz ZMJCNYCFGJAGOT-CYBMUJFWSA-N 2 2 288.313 3.267 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093174 527744252 /nfs/dbraw/zinc/74/42/52/527744252.db2.gz WIDOOPKKZLLMAW-GXFFZTMASA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093174 527744256 /nfs/dbraw/zinc/74/42/56/527744256.db2.gz WIDOOPKKZLLMAW-GXFFZTMASA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025212 527756941 /nfs/dbraw/zinc/75/69/41/527756941.db2.gz AURBRQSDNYMPBY-GOEBONIOSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025212 527756945 /nfs/dbraw/zinc/75/69/45/527756945.db2.gz AURBRQSDNYMPBY-GOEBONIOSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025212 527756949 /nfs/dbraw/zinc/75/69/49/527756949.db2.gz AURBRQSDNYMPBY-GOEBONIOSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025212 527756953 /nfs/dbraw/zinc/75/69/53/527756953.db2.gz AURBRQSDNYMPBY-GOEBONIOSA-N 2 2 278.415 3.296 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000415048810 527792400 /nfs/dbraw/zinc/79/24/00/527792400.db2.gz XKIJDZLYMDMOEA-INIZCTEOSA-N 2 2 288.366 3.316 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000355853119 527837561 /nfs/dbraw/zinc/83/75/61/527837561.db2.gz OEZWERJRGZWXAB-IAGOWNOFSA-N 2 2 299.418 3.166 20 0 CGADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000440641934 527932856 /nfs/dbraw/zinc/93/28/56/527932856.db2.gz OXIQELXHVXMPTP-UONOGXRCSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000440641934 527932859 /nfs/dbraw/zinc/93/28/59/527932859.db2.gz OXIQELXHVXMPTP-UONOGXRCSA-N 2 2 299.418 3.162 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000358261825 528119988 /nfs/dbraw/zinc/11/99/88/528119988.db2.gz WQGLKKCHOAIMEK-INIZCTEOSA-N 2 2 287.451 3.055 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000358261825 528119992 /nfs/dbraw/zinc/11/99/92/528119992.db2.gz WQGLKKCHOAIMEK-INIZCTEOSA-N 2 2 287.451 3.055 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436267384 528138196 /nfs/dbraw/zinc/13/81/96/528138196.db2.gz QSWXFIHZJVEQRW-ZWKOTPCHSA-N 2 2 274.452 3.329 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427873161 528209001 /nfs/dbraw/zinc/20/90/01/528209001.db2.gz ZDBZURUYTADOQA-HOCLYGCPSA-N 2 2 299.418 3.336 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260776 528238328 /nfs/dbraw/zinc/23/83/28/528238328.db2.gz XRTHQLFXQCLFFW-CABCVRRESA-N 2 2 261.413 3.146 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400452331 528243434 /nfs/dbraw/zinc/24/34/34/528243434.db2.gz RLOASKLGLVUWDK-ZQIUZPCESA-N 2 2 276.424 3.265 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423390471 528422476 /nfs/dbraw/zinc/42/24/76/528422476.db2.gz WBZLSRFDIZJLPD-CABCVRRESA-N 2 2 278.440 3.370 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423378277 528424067 /nfs/dbraw/zinc/42/40/67/528424067.db2.gz KSDGFQJKHKECNE-ZIAGYGMSSA-N 2 2 286.419 3.497 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1SCC ZINC000423394694 528424181 /nfs/dbraw/zinc/42/41/81/528424181.db2.gz ZYLHTOWBUGZKSL-CHWSQXEVSA-N 2 2 266.454 3.447 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427865288 528465037 /nfs/dbraw/zinc/46/50/37/528465037.db2.gz NCAGVULDSOAMRT-KKUMJFAQSA-N 2 2 263.429 3.248 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423309979 528514450 /nfs/dbraw/zinc/51/44/50/528514450.db2.gz MUPDMNVUJUWRJC-MRXNPFEDSA-N 2 2 264.388 3.174 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423305756 528514772 /nfs/dbraw/zinc/51/47/72/528514772.db2.gz CRHFLCJCAKWCJQ-OAHLLOKOSA-N 2 2 250.386 3.018 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000423262888 528578242 /nfs/dbraw/zinc/57/82/42/528578242.db2.gz NPXLIMYHYVCPMM-BBRMVZONSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423243639 528588400 /nfs/dbraw/zinc/58/84/00/528588400.db2.gz WRJRPELZUMLLDG-WMLDXEAASA-N 2 2 272.392 3.472 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423423817 528588892 /nfs/dbraw/zinc/58/88/92/528588892.db2.gz LAWUTWKROUGGFX-RBUKOAKNSA-N 2 2 295.430 3.255 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000424167357 528628062 /nfs/dbraw/zinc/62/80/62/528628062.db2.gz DPWXLCGNVIVIAL-UHFFFAOYSA-N 2 2 270.380 3.350 20 0 CGADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000426330096 528732847 /nfs/dbraw/zinc/73/28/47/528732847.db2.gz KQWQBIKQPWNOBW-UHFFFAOYSA-N 2 2 293.455 3.288 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414930297 528948893 /nfs/dbraw/zinc/94/88/93/528948893.db2.gz PVUXXBOQKPGMBV-CQSZACIVSA-N 2 2 293.480 3.278 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423296424 528958207 /nfs/dbraw/zinc/95/82/07/528958207.db2.gz GSQLQYJGQBYZAE-CJNGLKHVSA-N 2 2 292.423 3.016 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224059 529088600 /nfs/dbraw/zinc/08/86/00/529088600.db2.gz IKCWOOAYMSSKRX-JZXOWHBKSA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224059 529088603 /nfs/dbraw/zinc/08/86/03/529088603.db2.gz IKCWOOAYMSSKRX-JZXOWHBKSA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1F ZINC000423341586 529126177 /nfs/dbraw/zinc/12/61/77/529126177.db2.gz YKUSFMUWTORGCM-RNCFNFMXSA-N 2 2 258.768 3.113 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1F ZINC000423321408 529157379 /nfs/dbraw/zinc/15/73/79/529157379.db2.gz HNPPBFKWJDUJBS-GFCCVEGCSA-N 2 2 270.779 3.401 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1OC ZINC000423259706 529206493 /nfs/dbraw/zinc/20/64/93/529206493.db2.gz FQJWCGCRXXTRMI-DZGCQCFKSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1F ZINC000368097879 529207842 /nfs/dbraw/zinc/20/78/42/529207842.db2.gz ACKFVRBGKIHDLW-SMDDNHRTSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1F ZINC000368097879 529207841 /nfs/dbraw/zinc/20/78/41/529207841.db2.gz ACKFVRBGKIHDLW-SMDDNHRTSA-N 2 2 273.355 3.147 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244789 529257423 /nfs/dbraw/zinc/25/74/23/529257423.db2.gz XTDGFRPHFMXTII-OLZOCXBDSA-N 2 2 264.438 3.201 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCCC1 ZINC000486982539 535017445 /nfs/dbraw/zinc/01/74/45/535017445.db2.gz BJQIXQGFACYKDL-HOTGVXAUSA-N 2 2 284.513 3.230 20 0 CGADLP CCC(CC)[C@@H](C[NH2+][C@H](COC)C(C)C)[NH+]1CCCC1 ZINC000480560807 535110339 /nfs/dbraw/zinc/11/03/39/535110339.db2.gz VVOHRGDGLYJNFR-IAGOWNOFSA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494432175 535226901 /nfs/dbraw/zinc/22/69/01/535226901.db2.gz SJXPAHZINTYGKT-MRXNPFEDSA-N 2 2 299.418 3.023 20 0 CGADLP CC[C@H](C[NH2+]Cc1ccoc1)[N@@H+]1CCc2ccccc2C1 ZINC000727465964 571749211 /nfs/dbraw/zinc/74/92/11/571749211.db2.gz VXDDXURCNWHZHW-GOSISDBHSA-N 2 2 284.403 3.206 20 0 CGADLP CC[C@H](C[NH2+]Cc1ccoc1)[N@H+]1CCc2ccccc2C1 ZINC000727465964 571749215 /nfs/dbraw/zinc/74/92/15/571749215.db2.gz VXDDXURCNWHZHW-GOSISDBHSA-N 2 2 284.403 3.206 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]3c3ccccc3)cn2)c[nH+]1 ZINC000750046286 573077458 /nfs/dbraw/zinc/07/74/58/573077458.db2.gz WSEOGBFRZHHZNX-QGZVFWFLSA-N 2 2 290.370 3.214 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]3c3ccccc3)cn2)c[nH+]1 ZINC000750046286 573077459 /nfs/dbraw/zinc/07/74/59/573077459.db2.gz WSEOGBFRZHHZNX-QGZVFWFLSA-N 2 2 290.370 3.214 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC000255865560 618811545 /nfs/dbraw/zinc/81/15/45/618811545.db2.gz DWORZFPJQSRCGP-FTWHOSCRSA-N 2 2 270.848 3.183 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC000255865560 618811546 /nfs/dbraw/zinc/81/15/46/618811546.db2.gz DWORZFPJQSRCGP-FTWHOSCRSA-N 2 2 270.848 3.183 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716511 618836493 /nfs/dbraw/zinc/83/64/93/618836493.db2.gz TURDWMBBHKLMJG-PBHICJAKSA-N 2 2 290.451 3.049 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716511 618836496 /nfs/dbraw/zinc/83/64/96/618836496.db2.gz TURDWMBBHKLMJG-PBHICJAKSA-N 2 2 290.451 3.049 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000926762190 618871110 /nfs/dbraw/zinc/87/11/10/618871110.db2.gz LVXNRXPTHUBHPD-XLMXVRBTSA-N 2 2 280.481 3.020 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000926762190 618871112 /nfs/dbraw/zinc/87/11/12/618871112.db2.gz LVXNRXPTHUBHPD-XLMXVRBTSA-N 2 2 280.481 3.020 20 0 CGADLP Oc1cc(Cl)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000892621039 618877091 /nfs/dbraw/zinc/87/70/91/618877091.db2.gz CDLVYDXYTUMITL-UHFFFAOYSA-N 2 2 294.826 3.010 20 0 CGADLP Cc1sccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000311768441 618917506 /nfs/dbraw/zinc/91/75/06/618917506.db2.gz AKUQSSODIAYRBY-CQSZACIVSA-N 2 2 277.437 3.458 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523894 619018193 /nfs/dbraw/zinc/01/81/93/619018193.db2.gz OSFHQGIVZFJSNR-QAPCUYQASA-N 2 2 284.403 3.134 20 0 CGADLP C(=C\c1ccccc1)\C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000312149053 619030565 /nfs/dbraw/zinc/03/05/65/619030565.db2.gz REWLSRAYPKOQBI-DAXSKMNVSA-N 2 2 270.420 3.164 20 0 CGADLP CC(C)c1ccccc1OCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925597869 619079743 /nfs/dbraw/zinc/07/97/43/619079743.db2.gz OTLOXFBKRMTBME-QGZVFWFLSA-N 2 2 288.435 3.063 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000925783051 619244827 /nfs/dbraw/zinc/24/48/27/619244827.db2.gz BUZYNRGJHORAKB-FHSNZYRGSA-N 2 2 284.403 3.107 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000317541824 619250211 /nfs/dbraw/zinc/25/02/11/619250211.db2.gz WRYJHVQHHYYLOA-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000317541824 619250215 /nfs/dbraw/zinc/25/02/15/619250215.db2.gz WRYJHVQHHYYLOA-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000893978072 619344195 /nfs/dbraw/zinc/34/41/95/619344195.db2.gz OIMNCEOFWYHRMG-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000893978072 619344196 /nfs/dbraw/zinc/34/41/96/619344196.db2.gz OIMNCEOFWYHRMG-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893978072 619344198 /nfs/dbraw/zinc/34/41/98/619344198.db2.gz OIMNCEOFWYHRMG-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893978072 619344200 /nfs/dbraw/zinc/34/42/00/619344200.db2.gz OIMNCEOFWYHRMG-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042618 619357168 /nfs/dbraw/zinc/35/71/68/619357168.db2.gz BXWAEIGLBNDDLY-QWHCGFSZSA-N 2 2 282.453 3.306 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042618 619357170 /nfs/dbraw/zinc/35/71/70/619357170.db2.gz BXWAEIGLBNDDLY-QWHCGFSZSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042618 619357172 /nfs/dbraw/zinc/35/71/72/619357172.db2.gz BXWAEIGLBNDDLY-QWHCGFSZSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042618 619357174 /nfs/dbraw/zinc/35/71/74/619357174.db2.gz BXWAEIGLBNDDLY-QWHCGFSZSA-N 2 2 282.453 3.306 20 0 CGADLP CC(C)[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110658 619734152 /nfs/dbraw/zinc/73/41/52/619734152.db2.gz SJIYIZPZLHKVBL-RBSFLKMASA-N 2 2 261.413 3.202 20 0 CGADLP C[C@H](C1CCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111212 619735020 /nfs/dbraw/zinc/73/50/20/619735020.db2.gz BXUYSBPFPLLVCY-FVQBIDKESA-N 2 2 273.424 3.347 20 0 CGADLP Cc1occc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112506 619735327 /nfs/dbraw/zinc/73/53/27/619735327.db2.gz PYRYUVADLWVITA-WKILWMFISA-N 2 2 285.391 3.260 20 0 CGADLP CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895670678 619869259 /nfs/dbraw/zinc/86/92/59/619869259.db2.gz OPBWFZSXTPNSNX-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CC1(F)F ZINC000895706116 619873052 /nfs/dbraw/zinc/87/30/52/619873052.db2.gz IWAMRQXKDSQYAD-AEGPPILISA-N 2 2 291.345 3.258 20 0 CGADLP Cc1occc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194011 619965494 /nfs/dbraw/zinc/96/54/94/619965494.db2.gz KVJXIZUJIUXZSZ-UHFFFAOYSA-N 2 2 271.364 3.060 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000067500713 620146867 /nfs/dbraw/zinc/14/68/67/620146867.db2.gz OFMWWTKOJWAPJJ-OAHLLOKOSA-N 2 2 279.387 3.462 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897481201 620347838 /nfs/dbraw/zinc/34/78/38/620347838.db2.gz BGHNJTIGKQBRRQ-KBPBESRZSA-N 2 2 294.826 3.065 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897481201 620347839 /nfs/dbraw/zinc/34/78/39/620347839.db2.gz BGHNJTIGKQBRRQ-KBPBESRZSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753527 620390132 /nfs/dbraw/zinc/39/01/32/620390132.db2.gz DFFXDHLMXINDDD-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753527 620390135 /nfs/dbraw/zinc/39/01/35/620390135.db2.gz DFFXDHLMXINDDD-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C[NH+]1CCCC1 ZINC000057994454 620533676 /nfs/dbraw/zinc/53/36/76/620533676.db2.gz HKQZXQYKFFVSAR-FMKPAKJESA-N 2 2 276.424 3.225 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927108569 620577461 /nfs/dbraw/zinc/57/74/61/620577461.db2.gz LLHDYDMCSOKPIU-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927108569 620577464 /nfs/dbraw/zinc/57/74/64/620577464.db2.gz LLHDYDMCSOKPIU-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902473176 621324607 /nfs/dbraw/zinc/32/46/07/621324607.db2.gz TWPFLLDTJKKRNB-GNYXNQEXSA-N 2 2 256.393 3.108 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902476814 621326964 /nfs/dbraw/zinc/32/69/64/621326964.db2.gz PJGVNTNSRRYHMN-XJFOESAGSA-N 2 2 264.438 3.318 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000902626267 621388638 /nfs/dbraw/zinc/38/86/38/621388638.db2.gz SZHMURSMFVXRHM-KRWDZBQOSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000902626267 621388639 /nfs/dbraw/zinc/38/86/39/621388639.db2.gz SZHMURSMFVXRHM-KRWDZBQOSA-N 2 2 287.451 3.143 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046966 621554999 /nfs/dbraw/zinc/55/49/99/621554999.db2.gz DSSUFWBCGXSFRP-SJORKVTESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046966 621555002 /nfs/dbraw/zinc/55/50/02/621555002.db2.gz DSSUFWBCGXSFRP-SJORKVTESA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1OC ZINC000903370917 621717110 /nfs/dbraw/zinc/71/71/10/621717110.db2.gz LHUOSCQESYZWMA-BJJXKVORSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1OC ZINC000903370917 621717113 /nfs/dbraw/zinc/71/71/13/621717113.db2.gz LHUOSCQESYZWMA-BJJXKVORSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)o1 ZINC000903813298 621814939 /nfs/dbraw/zinc/81/49/39/621814939.db2.gz ZWJROMJYDLASGM-OAHLLOKOSA-N 2 2 291.439 3.282 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)o1 ZINC000903813298 621814941 /nfs/dbraw/zinc/81/49/41/621814941.db2.gz ZWJROMJYDLASGM-OAHLLOKOSA-N 2 2 291.439 3.282 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903879120 621825554 /nfs/dbraw/zinc/82/55/54/621825554.db2.gz SPVMIUNGPJDDRZ-JQWIXIFHSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903879120 621825555 /nfs/dbraw/zinc/82/55/55/621825555.db2.gz SPVMIUNGPJDDRZ-JQWIXIFHSA-N 2 2 282.334 3.408 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903883457 621826036 /nfs/dbraw/zinc/82/60/36/621826036.db2.gz HSHWGGIQSWMLEM-CYBMUJFWSA-N 2 2 274.330 3.019 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903883457 621826038 /nfs/dbraw/zinc/82/60/38/621826038.db2.gz HSHWGGIQSWMLEM-CYBMUJFWSA-N 2 2 274.330 3.019 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1c(C)noc1C ZINC000904360853 621911937 /nfs/dbraw/zinc/91/19/37/621911937.db2.gz QLKDXPYGFXCZOV-KBPBESRZSA-N 2 2 281.444 3.486 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000904458729 621923708 /nfs/dbraw/zinc/92/37/08/621923708.db2.gz GUVDELLRFGNEHJ-JBBXEZCESA-N 2 2 284.378 3.144 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1csc2ccccc12 ZINC000904484912 621926627 /nfs/dbraw/zinc/92/66/27/621926627.db2.gz QKAGSRKOXTYTCD-NEPJUHHUSA-N 2 2 260.406 3.304 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689959 623509993 /nfs/dbraw/zinc/50/99/93/623509993.db2.gz JXQXPNVLUJWTSS-GOEBONIOSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689959 623509997 /nfs/dbraw/zinc/50/99/97/623509997.db2.gz JXQXPNVLUJWTSS-GOEBONIOSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000179992147 624704767 /nfs/dbraw/zinc/70/47/67/624704767.db2.gz KRXJWVXBAJBZEH-CQSZACIVSA-N 2 2 287.451 3.427 20 0 CGADLP C[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649707 624761991 /nfs/dbraw/zinc/76/19/91/624761991.db2.gz WVIHZVIBSRQQOH-HNNXBMFYSA-N 2 2 299.418 3.218 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1 ZINC000921745331 625861439 /nfs/dbraw/zinc/86/14/39/625861439.db2.gz UELPKIOGFLFFHE-AWEZNQCLSA-N 2 2 299.418 3.006 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000922237289 625988423 /nfs/dbraw/zinc/98/84/23/625988423.db2.gz IJMRJHMITNQUSG-MGPQQGTHSA-N 2 2 270.486 3.123 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000922237289 625988428 /nfs/dbraw/zinc/98/84/28/625988428.db2.gz IJMRJHMITNQUSG-MGPQQGTHSA-N 2 2 270.486 3.123 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000922842736 626056153 /nfs/dbraw/zinc/05/61/53/626056153.db2.gz MCPASQSRXJNURX-DZGCQCFKSA-N 2 2 287.432 3.246 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000764595118 627213861 /nfs/dbraw/zinc/21/38/61/627213861.db2.gz YQIZBGQXTAIJOG-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000764595118 627213865 /nfs/dbraw/zinc/21/38/65/627213865.db2.gz YQIZBGQXTAIJOG-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270311 627308870 /nfs/dbraw/zinc/30/88/70/627308870.db2.gz QIBPSGXFGYHWEC-CVEARBPZSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270311 627308873 /nfs/dbraw/zinc/30/88/73/627308873.db2.gz QIBPSGXFGYHWEC-CVEARBPZSA-N 2 2 298.434 3.007 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC2 ZINC000766272420 627310162 /nfs/dbraw/zinc/31/01/62/627310162.db2.gz XBMSJYHFUJBYIK-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC2 ZINC000766272420 627310165 /nfs/dbraw/zinc/31/01/65/627310165.db2.gz XBMSJYHFUJBYIK-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CCOc1ccccc1-n1cc[nH+]c1 ZINC000769384733 627547790 /nfs/dbraw/zinc/54/77/90/627547790.db2.gz NHSVASVLEJHTDI-HNNXBMFYSA-N 2 2 285.391 3.126 20 0 CGADLP C[N@H+]1CCCC[C@H]1CCOc1ccccc1-n1cc[nH+]c1 ZINC000769384733 627547792 /nfs/dbraw/zinc/54/77/92/627547792.db2.gz NHSVASVLEJHTDI-HNNXBMFYSA-N 2 2 285.391 3.126 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000769868508 627584943 /nfs/dbraw/zinc/58/49/43/627584943.db2.gz QZCWYFMSRWEIAP-KGLIPLIRSA-N 2 2 293.455 3.461 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000769868508 627584944 /nfs/dbraw/zinc/58/49/44/627584944.db2.gz QZCWYFMSRWEIAP-KGLIPLIRSA-N 2 2 293.455 3.461 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000775310142 628080350 /nfs/dbraw/zinc/08/03/50/628080350.db2.gz FVLBPCCFNRWECQ-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000775310142 628080356 /nfs/dbraw/zinc/08/03/56/628080356.db2.gz FVLBPCCFNRWECQ-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CCCC[C@H]3C1)CC2 ZINC000779064254 628385874 /nfs/dbraw/zinc/38/58/74/628385874.db2.gz HXBCZVMGPUOFQN-CAOSSQGBSA-N 2 2 273.424 3.146 20 0 CGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CCO)CCCC1)c1ccccc1 ZINC000779349075 628409674 /nfs/dbraw/zinc/40/96/74/628409674.db2.gz VMEJKLJDWHTQFR-JKSUJKDBSA-N 2 2 290.451 3.011 20 0 CGADLP C[C@H]([NH2+]C/C=C\Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782966377 628670680 /nfs/dbraw/zinc/67/06/80/628670680.db2.gz DHGTWVWVIFHQOE-PHATZWCLSA-N 2 2 261.756 3.275 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000783568890 628727278 /nfs/dbraw/zinc/72/72/78/628727278.db2.gz IFTRLQQHZNXVDX-GJZGRUSLSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000783568890 628727281 /nfs/dbraw/zinc/72/72/81/628727281.db2.gz IFTRLQQHZNXVDX-GJZGRUSLSA-N 2 2 270.486 3.126 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000796704346 629817562 /nfs/dbraw/zinc/81/75/62/629817562.db2.gz OAYZEUHNUOEHJH-TZMCWYRMSA-N 2 2 296.842 3.402 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000796704346 629817565 /nfs/dbraw/zinc/81/75/65/629817565.db2.gz OAYZEUHNUOEHJH-TZMCWYRMSA-N 2 2 296.842 3.402 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCCC1 ZINC000799715831 630223360 /nfs/dbraw/zinc/22/33/60/630223360.db2.gz UXSNXZSRNPDTJY-HSBZDZAISA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766062 630802567 /nfs/dbraw/zinc/80/25/67/630802567.db2.gz TZAFPKIONCQSKH-KSSFIOAISA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766062 630802568 /nfs/dbraw/zinc/80/25/68/630802568.db2.gz TZAFPKIONCQSKH-KSSFIOAISA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2ccccc2c1 ZINC000809766062 630802571 /nfs/dbraw/zinc/80/25/71/630802571.db2.gz TZAFPKIONCQSKH-KSSFIOAISA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000809766062 630802576 /nfs/dbraw/zinc/80/25/76/630802576.db2.gz TZAFPKIONCQSKH-KSSFIOAISA-N 2 2 283.419 3.007 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000817888401 632229149 /nfs/dbraw/zinc/22/91/49/632229149.db2.gz LDGFWGVGRLFYKB-YOEHRIQHSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817897128 632231995 /nfs/dbraw/zinc/23/19/95/632231995.db2.gz FYFSPANLRMTPJA-IRXDYDNUSA-N 2 2 270.351 3.369 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000817940130 632240797 /nfs/dbraw/zinc/24/07/97/632240797.db2.gz FLTCIGHYPNNABN-YPMHNXCESA-N 2 2 282.815 3.060 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585342 633202555 /nfs/dbraw/zinc/20/25/55/633202555.db2.gz WHAZRRQLAICQHT-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585342 633202557 /nfs/dbraw/zinc/20/25/57/633202557.db2.gz WHAZRRQLAICQHT-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585342 633202562 /nfs/dbraw/zinc/20/25/62/633202562.db2.gz WHAZRRQLAICQHT-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585342 633202564 /nfs/dbraw/zinc/20/25/64/633202564.db2.gz WHAZRRQLAICQHT-INWMFGNUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585344 633203407 /nfs/dbraw/zinc/20/34/07/633203407.db2.gz WHAZRRQLAICQHT-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585344 633203411 /nfs/dbraw/zinc/20/34/11/633203411.db2.gz WHAZRRQLAICQHT-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585344 633203416 /nfs/dbraw/zinc/20/34/16/633203416.db2.gz WHAZRRQLAICQHT-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585344 633203420 /nfs/dbraw/zinc/20/34/20/633203420.db2.gz WHAZRRQLAICQHT-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1F)[NH+]1CCCCC1 ZINC000824153777 633206204 /nfs/dbraw/zinc/20/62/04/633206204.db2.gz VLDPAMGJFJRCND-GFCCVEGCSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023190 633943863 /nfs/dbraw/zinc/94/38/63/633943863.db2.gz PZHYIMDOCUVRIH-QBPKDAKJSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000872023190 633943866 /nfs/dbraw/zinc/94/38/66/633943866.db2.gz PZHYIMDOCUVRIH-QBPKDAKJSA-N 2 2 296.499 3.433 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872027099 633947330 /nfs/dbraw/zinc/94/73/30/633947330.db2.gz BVCJWWWJSUKNTH-ZDUSSCGKSA-N 2 2 294.414 3.446 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872088887 634014048 /nfs/dbraw/zinc/01/40/48/634014048.db2.gz SBSDCIUDQGXMMB-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872088887 634014057 /nfs/dbraw/zinc/01/40/57/634014057.db2.gz SBSDCIUDQGXMMB-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C1=C[C@H](CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000872107809 634031561 /nfs/dbraw/zinc/03/15/61/634031561.db2.gz PASWEDAKGZNDJE-INIZCTEOSA-N 2 2 285.435 3.386 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccsc1 ZINC000834607099 634197291 /nfs/dbraw/zinc/19/72/91/634197291.db2.gz QAPJBNPJAHOZGP-GXTWGEPZSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccsc1 ZINC000834607099 634197297 /nfs/dbraw/zinc/19/72/97/634197297.db2.gz QAPJBNPJAHOZGP-GXTWGEPZSA-N 2 2 252.427 3.273 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230559 634293157 /nfs/dbraw/zinc/29/31/57/634293157.db2.gz TZMBUSKMZATDSO-IRXDYDNUSA-N 2 2 270.376 3.115 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)c2)c1 ZINC000873229628 634293328 /nfs/dbraw/zinc/29/33/28/634293328.db2.gz CVFJCIAVHCQZMG-MOPGFXCFSA-N 2 2 293.414 3.123 20 0 CGADLP c1ccc2cc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)ccc2c1 ZINC000873230363 634293389 /nfs/dbraw/zinc/29/33/89/634293389.db2.gz QFQBEVPKIVSREO-ZWKOTPCHSA-N 2 2 266.388 3.214 20 0 CGADLP Cc1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)ccc1Cl ZINC000873230486 634293442 /nfs/dbraw/zinc/29/34/42/634293442.db2.gz SDIKNBQJGGHOAX-GJZGRUSLSA-N 2 2 264.800 3.023 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)COC2 ZINC000873235851 634295469 /nfs/dbraw/zinc/29/54/69/634295469.db2.gz SQHHHTJRNJITFR-DYVFJYSZSA-N 2 2 288.435 3.146 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(C)c1OC(F)F ZINC000841033409 635110438 /nfs/dbraw/zinc/11/04/38/635110438.db2.gz UEQRVFAOKNMGGH-AWEZNQCLSA-N 2 2 298.377 3.137 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)ccn1 ZINC000877794078 635204675 /nfs/dbraw/zinc/20/46/75/635204675.db2.gz FSQZFYKDMSFDBF-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP C=C/C=C\CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170933 635392769 /nfs/dbraw/zinc/39/27/69/635392769.db2.gz UKEFMXLVJWTKNI-PLNGDYQASA-N 2 2 299.462 3.153 20 0 CGADLP C=C/C=C\CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170933 635392779 /nfs/dbraw/zinc/39/27/79/635392779.db2.gz UKEFMXLVJWTKNI-PLNGDYQASA-N 2 2 299.462 3.153 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC000843053816 635551270 /nfs/dbraw/zinc/55/12/70/635551270.db2.gz SMEOJDMAESYZGR-FGWVZKOKSA-N 2 2 270.829 3.246 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC000843053816 635551275 /nfs/dbraw/zinc/55/12/75/635551275.db2.gz SMEOJDMAESYZGR-FGWVZKOKSA-N 2 2 270.829 3.246 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138517 635922940 /nfs/dbraw/zinc/92/29/40/635922940.db2.gz XWFZFDUGJPGOEY-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138517 635922946 /nfs/dbraw/zinc/92/29/46/635922946.db2.gz XWFZFDUGJPGOEY-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC000880138517 635922952 /nfs/dbraw/zinc/92/29/52/635922952.db2.gz XWFZFDUGJPGOEY-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC000880138517 635922957 /nfs/dbraw/zinc/92/29/57/635922957.db2.gz XWFZFDUGJPGOEY-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP FCCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570240 636022700 /nfs/dbraw/zinc/02/27/00/636022700.db2.gz VBCKWCBIJVDGGN-MRXNPFEDSA-N 2 2 275.371 3.354 20 0 CGADLP c1cn(C[C@H]([NH2+]C2CCSCC2)c2ccccc2)c[nH+]1 ZINC000883386653 636728402 /nfs/dbraw/zinc/72/84/02/636728402.db2.gz KQEKRQXNOZPFSS-INIZCTEOSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066230 637119864 /nfs/dbraw/zinc/11/98/64/637119864.db2.gz WXFHOCDGSVSYTD-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066230 637119874 /nfs/dbraw/zinc/11/98/74/637119874.db2.gz WXFHOCDGSVSYTD-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)OC1CCCCC1 ZINC000885959147 637332840 /nfs/dbraw/zinc/33/28/40/637332840.db2.gz UGPZDSKKIJEWEB-UHFFFAOYSA-N 2 2 294.483 3.286 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924534455 638354547 /nfs/dbraw/zinc/35/45/47/638354547.db2.gz KXMKPWHWQSZQLW-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924534455 638354552 /nfs/dbraw/zinc/35/45/52/638354552.db2.gz KXMKPWHWQSZQLW-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924627123 638379081 /nfs/dbraw/zinc/37/90/81/638379081.db2.gz ZVSHCGHUCCTAJD-GJZGRUSLSA-N 2 2 283.419 3.456 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000925049795 638442443 /nfs/dbraw/zinc/44/24/43/638442443.db2.gz BGOLCLICNRWWRH-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000925049795 638442446 /nfs/dbraw/zinc/44/24/46/638442446.db2.gz BGOLCLICNRWWRH-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccns1)C(C)C ZINC000925196848 638473495 /nfs/dbraw/zinc/47/34/95/638473495.db2.gz OPMWZOAXHIBZME-ZDUSSCGKSA-N 2 2 269.458 3.303 20 0 CGADLP c1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CCC2)nc1 ZINC000925230661 638481156 /nfs/dbraw/zinc/48/11/56/638481156.db2.gz CMCBSYCFRDSUJC-SFHVURJKSA-N 2 2 296.418 3.410 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925717777 638578816 /nfs/dbraw/zinc/57/88/16/638578816.db2.gz IAVDGQMYZKWRLO-CQSZACIVSA-N 2 2 298.352 3.166 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752797 638596719 /nfs/dbraw/zinc/59/67/19/638596719.db2.gz YMVIVFMSNRWYSL-GFCCVEGCSA-N 2 2 279.453 3.095 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752797 638596722 /nfs/dbraw/zinc/59/67/22/638596722.db2.gz YMVIVFMSNRWYSL-GFCCVEGCSA-N 2 2 279.453 3.095 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000926158352 638724469 /nfs/dbraw/zinc/72/44/69/638724469.db2.gz JOZVJDMYSAGNMU-YUELXQCFSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)s1 ZINC000926158352 638724474 /nfs/dbraw/zinc/72/44/74/638724474.db2.gz JOZVJDMYSAGNMU-YUELXQCFSA-N 2 2 293.480 3.162 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223727 638746101 /nfs/dbraw/zinc/74/61/01/638746101.db2.gz CXYMRFQXAUZDBX-MJBXVCDLSA-N 2 2 261.413 3.002 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CC(Sc3ccccc3)C1)CC2 ZINC000926229258 638747405 /nfs/dbraw/zinc/74/74/05/638747405.db2.gz LITJREPMPIYSGO-VQCLRJIVSA-N 2 2 299.443 3.111 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926801567 638813889 /nfs/dbraw/zinc/81/38/89/638813889.db2.gz NMSPLSSGGPYUAW-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926801567 638813890 /nfs/dbraw/zinc/81/38/90/638813890.db2.gz NMSPLSSGGPYUAW-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959745 638829425 /nfs/dbraw/zinc/82/94/25/638829425.db2.gz SUNZAPCXIOPSFN-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959745 638829426 /nfs/dbraw/zinc/82/94/26/638829426.db2.gz SUNZAPCXIOPSFN-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927023221 638832956 /nfs/dbraw/zinc/83/29/56/638832956.db2.gz CQYASOLCPGKDLY-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927022302 638833009 /nfs/dbraw/zinc/83/30/09/638833009.db2.gz QDYZHMFXZHZTTE-MAUKXSAKSA-N 2 2 299.418 3.482 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992351 638966347 /nfs/dbraw/zinc/96/63/47/638966347.db2.gz QFSLGJYAQLKKFL-OAHLLOKOSA-N 2 2 273.355 3.259 20 0 CGADLP FCc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992351 638966348 /nfs/dbraw/zinc/96/63/48/638966348.db2.gz QFSLGJYAQLKKFL-OAHLLOKOSA-N 2 2 273.355 3.259 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991284 638966396 /nfs/dbraw/zinc/96/63/96/638966396.db2.gz FIHLTRRTCVYNMC-GJZGRUSLSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991284 638966398 /nfs/dbraw/zinc/96/63/98/638966398.db2.gz FIHLTRRTCVYNMC-GJZGRUSLSA-N 2 2 289.423 3.081 20 0 CGADLP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133590 /nfs/dbraw/zinc/13/35/90/639133590.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 2 2 295.430 3.008 20 0 CGADLP C[N@H+]1C[C@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133593 /nfs/dbraw/zinc/13/35/93/639133593.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 2 2 295.430 3.008 20 0 CGADLP C[NH+]1C[C@]2(C)C[N@H+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133596 /nfs/dbraw/zinc/13/35/96/639133596.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 2 2 295.430 3.008 20 0 CGADLP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133601 /nfs/dbraw/zinc/13/36/01/639133601.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 2 2 295.430 3.008 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)c(C)[nH+]1 ZINC000931555905 639169680 /nfs/dbraw/zinc/16/96/80/639169680.db2.gz JNERNDPKTHQZGH-QGZVFWFLSA-N 2 2 298.434 3.313 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932406299 639325903 /nfs/dbraw/zinc/32/59/03/639325903.db2.gz QKHWVNCZJNOEMP-UHFFFAOYSA-N 2 2 287.382 3.156 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932406299 639325913 /nfs/dbraw/zinc/32/59/13/639325913.db2.gz QKHWVNCZJNOEMP-UHFFFAOYSA-N 2 2 287.382 3.156 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190666455 640260542 /nfs/dbraw/zinc/26/05/42/640260542.db2.gz YWZSGJDVYOGZQB-UHFFFAOYSA-N 2 2 288.794 3.006 20 0 CGADLP COc1ccc2[nH+]c(N(CCC[NH3+])C(C)C)cc(C)c2c1 ZINC001156117985 805655475 /nfs/dbraw/zinc/65/54/75/805655475.db2.gz LSOCFCFCFVGHOC-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP Cc1cc(NCC2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001156501579 805704797 /nfs/dbraw/zinc/70/47/97/805704797.db2.gz XGWURZPWSYHAFR-UHFFFAOYSA-N 2 2 290.455 3.441 20 0 CGADLP Cc1cccc2cc[nH+]c(NCc3cc[nH+]c(N)c3)c12 ZINC001156760093 805731966 /nfs/dbraw/zinc/73/19/66/805731966.db2.gz DGSJCZXVTBKRKP-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP Cc1ccc(N(C)CC[N@H+](C)Cc2ccccc2)[nH+]c1C ZINC001157554541 805834947 /nfs/dbraw/zinc/83/49/47/805834947.db2.gz RODPRUVYUJQOBU-UHFFFAOYSA-N 2 2 283.419 3.267 20 0 CGADLP Cc1ccc(N(C)CC[N@@H+](C)Cc2ccccc2)[nH+]c1C ZINC001157554541 805834956 /nfs/dbraw/zinc/83/49/56/805834956.db2.gz RODPRUVYUJQOBU-UHFFFAOYSA-N 2 2 283.419 3.267 20 0 CGADLP Cc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)cc(C(C)C)[nH+]1 ZINC001157759097 805864369 /nfs/dbraw/zinc/86/43/69/805864369.db2.gz IULSXIRPCULMJE-KRWDZBQOSA-N 2 2 296.418 3.059 20 0 CGADLP COc1ccc(C)[nH+]c1N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157884478 805896793 /nfs/dbraw/zinc/89/67/93/805896793.db2.gz YTUAVZSXBPPFDQ-UHFFFAOYSA-N 2 2 291.439 3.003 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC001157941894 805904912 /nfs/dbraw/zinc/90/49/12/805904912.db2.gz GIHGXOPGSCCGMF-UHFFFAOYSA-N 2 2 269.820 3.352 20 0 CGADLP Cc1ccc(O)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001159171143 806055909 /nfs/dbraw/zinc/05/59/09/806055909.db2.gz VNAZQRXAOKAYBJ-AWEZNQCLSA-N 2 2 269.348 3.264 20 0 CGADLP CC[NH2+]Cc1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001159955232 806203426 /nfs/dbraw/zinc/20/34/26/806203426.db2.gz FQAOSJAWQIICHL-UHFFFAOYSA-N 2 2 266.348 3.368 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c1C ZINC001159986092 806208536 /nfs/dbraw/zinc/20/85/36/806208536.db2.gz GBIJYLDXSWIPEB-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP FC1(F)CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001254225444 806372799 /nfs/dbraw/zinc/37/27/99/806372799.db2.gz UTSSKAATEFAPQF-LLVKDONJSA-N 2 2 269.339 3.101 20 0 CGADLP CCOc1cc[nH+]c(NCc2c[nH+]cn2CC2CCC2)c1 ZINC001161531164 806388475 /nfs/dbraw/zinc/38/84/75/806388475.db2.gz LAFXQSJTPOCKCU-UHFFFAOYSA-N 2 2 286.379 3.089 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437281 806398786 /nfs/dbraw/zinc/39/87/86/806398786.db2.gz RSPZXBRYXAKQCY-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437281 806398795 /nfs/dbraw/zinc/39/87/95/806398795.db2.gz RSPZXBRYXAKQCY-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCc2ccccc2CC1 ZINC001254450435 806405273 /nfs/dbraw/zinc/40/52/73/806405273.db2.gz RNJFCBRGYXWISS-HNNXBMFYSA-N 2 2 272.436 3.008 20 0 CGADLP Cc1ccc2c(NCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC001161689105 806420295 /nfs/dbraw/zinc/42/02/95/806420295.db2.gz HSUVPXAEDUYFHJ-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254833283 806493220 /nfs/dbraw/zinc/49/32/20/806493220.db2.gz OKVDCMUWOZBENU-HNNXBMFYSA-N 2 2 278.465 3.063 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254842852 806496051 /nfs/dbraw/zinc/49/60/51/806496051.db2.gz GVRPYGMCNFHPTA-BDVYOWHSSA-N 2 2 264.457 3.419 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851046 806499189 /nfs/dbraw/zinc/49/91/89/806499189.db2.gz KVIPRVMFSHUAAG-ULQDDVLXSA-N 2 2 290.838 3.270 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001162453855 806587579 /nfs/dbraw/zinc/58/75/79/806587579.db2.gz MDYWYZVVAFCFQA-CHWSQXEVSA-N 2 2 287.382 3.422 20 0 CGADLP CC1(C)CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001255308687 806603117 /nfs/dbraw/zinc/60/31/17/806603117.db2.gz ZRVNWZGJAKAGPD-ZDUSSCGKSA-N 2 2 261.413 3.491 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]C(C)(C)C3CC3)cc2)CC1 ZINC001162518116 806605267 /nfs/dbraw/zinc/60/52/67/806605267.db2.gz NGIPGDMGQLGGAQ-UHFFFAOYSA-N 2 2 273.424 3.039 20 0 CGADLP CC(C)c1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001162553205 806618453 /nfs/dbraw/zinc/61/84/53/806618453.db2.gz YEPDZHXZRDZSAG-CHWSQXEVSA-N 2 2 276.428 3.133 20 0 CGADLP Cc1cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c2[nH+]ccn2c1 ZINC001162765491 806661136 /nfs/dbraw/zinc/66/11/36/806661136.db2.gz HRXJWGOHUYJONG-GFCCVEGCSA-N 2 2 291.358 3.001 20 0 CGADLP Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001162797354 806666738 /nfs/dbraw/zinc/66/67/38/806666738.db2.gz MDWYYTRNVCQUNK-HRCADAONSA-N 2 2 298.434 3.019 20 0 CGADLP Cc1cccc2c(C)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)[nH+]c12 ZINC001162789696 806666907 /nfs/dbraw/zinc/66/69/07/806666907.db2.gz KEQJMUYWUALJEN-FVQBIDKESA-N 2 2 279.387 3.038 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccn1 ZINC000037156371 798861137 /nfs/dbraw/zinc/86/11/37/798861137.db2.gz ZUWXSNWFDLFEEF-DZGCQCFKSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1Br ZINC000037248491 798863613 /nfs/dbraw/zinc/86/36/13/798863613.db2.gz URFRPNJFQZITKM-NSHDSACASA-N 2 2 297.240 3.194 20 0 CGADLP CC1CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000070260696 798915686 /nfs/dbraw/zinc/91/56/86/798915686.db2.gz WAORUKXIUPKJRZ-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CC1CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000070260696 798915690 /nfs/dbraw/zinc/91/56/90/798915690.db2.gz WAORUKXIUPKJRZ-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001255729703 806724458 /nfs/dbraw/zinc/72/44/58/806724458.db2.gz JKCPNUXXOJONEG-KGLIPLIRSA-N 2 2 296.455 3.380 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000328390352 799251755 /nfs/dbraw/zinc/25/17/55/799251755.db2.gz XSJDEPFXTKAVFF-WXRRBKDZSA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000328390352 799251761 /nfs/dbraw/zinc/25/17/61/799251761.db2.gz XSJDEPFXTKAVFF-WXRRBKDZSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000380826799 799367466 /nfs/dbraw/zinc/36/74/66/799367466.db2.gz NXSDOGJAANQGLO-DTWKUNHWSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000380826799 799367468 /nfs/dbraw/zinc/36/74/68/799367468.db2.gz NXSDOGJAANQGLO-DTWKUNHWSA-N 2 2 261.196 3.333 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000381531085 799382286 /nfs/dbraw/zinc/38/22/86/799382286.db2.gz AQEYMPZCVGWIAH-SUMWQHHRSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000381531085 799382295 /nfs/dbraw/zinc/38/22/95/799382295.db2.gz AQEYMPZCVGWIAH-SUMWQHHRSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001255772648 806743806 /nfs/dbraw/zinc/74/38/06/806743806.db2.gz OGYVUQOVKSVJEJ-MRXNPFEDSA-N 2 2 260.425 3.002 20 0 CGADLP CSc1cc[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC001163370939 806752409 /nfs/dbraw/zinc/75/24/09/806752409.db2.gz NACKSVAYLQKVPE-JSGCOSHPSA-N 2 2 279.453 3.334 20 0 CGADLP CSc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163370939 806752413 /nfs/dbraw/zinc/75/24/13/806752413.db2.gz NACKSVAYLQKVPE-JSGCOSHPSA-N 2 2 279.453 3.334 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001163428477 806762527 /nfs/dbraw/zinc/76/25/27/806762527.db2.gz WFDVHXSQQAWPNT-ZDUSSCGKSA-N 2 2 290.455 3.196 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001163428477 806762529 /nfs/dbraw/zinc/76/25/29/806762529.db2.gz WFDVHXSQQAWPNT-ZDUSSCGKSA-N 2 2 290.455 3.196 20 0 CGADLP C[C@H](Cc1ccccc1F)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255853894 806768805 /nfs/dbraw/zinc/76/88/05/806768805.db2.gz MRZKSHJHWKRPPT-HIFRSBDPSA-N 2 2 287.382 3.293 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCCC1 ZINC000688325653 799746895 /nfs/dbraw/zinc/74/68/95/799746895.db2.gz STQHVQOTTUIBBA-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCSCC1 ZINC000692483596 799795203 /nfs/dbraw/zinc/79/52/03/799795203.db2.gz NTVLJWRXQOZURW-KBPBESRZSA-N 2 2 281.469 3.173 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001255951340 806795537 /nfs/dbraw/zinc/79/55/37/806795537.db2.gz IZSNXUOTRXXBPN-CZUORRHYSA-N 2 2 293.430 3.382 20 0 CGADLP CO[C@@H](C)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709645539 800011490 /nfs/dbraw/zinc/01/14/90/800011490.db2.gz QRRRKEKUFILKGG-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CO[C@@H](C)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709645539 800011496 /nfs/dbraw/zinc/01/14/96/800011496.db2.gz QRRRKEKUFILKGG-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CCCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716250651 800166141 /nfs/dbraw/zinc/16/61/41/800166141.db2.gz GKOAFJLMOGGADN-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP Clc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000719439009 800239757 /nfs/dbraw/zinc/23/97/57/800239757.db2.gz CSGPKTYNXHURQB-GRYCIOLGSA-N 2 2 299.871 3.197 20 0 CGADLP Clc1cc(Cl)cc(CC[NH2+]CCn2cc[nH+]c2)c1 ZINC000722125601 800310401 /nfs/dbraw/zinc/31/04/01/800310401.db2.gz NKRIAHKAGZUMFH-UHFFFAOYSA-N 2 2 284.190 3.022 20 0 CGADLP c1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)nc1 ZINC000903087692 800593918 /nfs/dbraw/zinc/59/39/18/800593918.db2.gz GJNZVXDHEPFUEC-SFHVURJKSA-N 2 2 296.418 3.410 20 0 CGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001256207251 806849149 /nfs/dbraw/zinc/84/91/49/806849149.db2.gz FGHJDZHYTFTKHV-CYBMUJFWSA-N 2 2 278.827 3.224 20 0 CGADLP C[NH+]1CCC([N@H+]2CC[C@@H](c3ccccc3Cl)C2)CC1 ZINC001256207251 806849155 /nfs/dbraw/zinc/84/91/55/806849155.db2.gz FGHJDZHYTFTKHV-CYBMUJFWSA-N 2 2 278.827 3.224 20 0 CGADLP CC(C)CC[C@@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001256372015 806876512 /nfs/dbraw/zinc/87/65/12/806876512.db2.gz YPRQSLFCVCEPQN-QGZVFWFLSA-N 3 2 285.520 3.017 20 0 CGADLP CCOC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001256433344 806898567 /nfs/dbraw/zinc/89/85/67/806898567.db2.gz VUYZJTYYILQNPJ-PCKAHOCUSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001256433344 806898575 /nfs/dbraw/zinc/89/85/75/806898575.db2.gz VUYZJTYYILQNPJ-PCKAHOCUSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+](C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604846 806923249 /nfs/dbraw/zinc/92/32/49/806923249.db2.gz XYIICRKWWYLGNR-UHFFFAOYSA-N 2 2 260.425 3.381 20 0 CGADLP CC[N@@H+](C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604846 806923251 /nfs/dbraw/zinc/92/32/51/806923251.db2.gz XYIICRKWWYLGNR-UHFFFAOYSA-N 2 2 260.425 3.381 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@@H](C[NH3+])CC[C@@H]3C)[nH+]c12 ZINC001164460482 806950757 /nfs/dbraw/zinc/95/07/57/806950757.db2.gz DLIUKYOGCOGFCM-LSDHHAIUSA-N 2 2 283.419 3.415 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165240512 806979823 /nfs/dbraw/zinc/97/98/23/806979823.db2.gz HWJLEUPRANPFJP-INIZCTEOSA-N 2 2 293.842 3.046 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165240512 806979824 /nfs/dbraw/zinc/97/98/24/806979824.db2.gz HWJLEUPRANPFJP-INIZCTEOSA-N 2 2 293.842 3.046 20 0 CGADLP CC[C@@H](C)[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116518011 802370038 /nfs/dbraw/zinc/37/00/38/802370038.db2.gz ZSYCCSOAFVARGO-VXGBXAGGSA-N 2 2 286.379 3.196 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001116694084 802397726 /nfs/dbraw/zinc/39/77/26/802397726.db2.gz HNFQCARHQZEFPH-GXTWGEPZSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1[nH+]cn([C@H](C)Cc2c(F)cccc2Cl)c1CC[NH3+] ZINC001172845503 808458893 /nfs/dbraw/zinc/45/88/93/808458893.db2.gz NEUDMOINEQYRCS-SNVBAGLBSA-N 2 2 295.789 3.289 20 0 CGADLP Cc1c[nH+]ccc1Nc1c[nH+]c(CC(C)C)cc1C ZINC001174537262 809067826 /nfs/dbraw/zinc/06/78/26/809067826.db2.gz FCNOIKPGHIOWPT-UHFFFAOYSA-N 2 2 255.365 3.457 20 0 CGADLP FC(F)(F)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC001119959679 802713881 /nfs/dbraw/zinc/71/38/81/802713881.db2.gz PFFJBQVTJVLAAO-UHFFFAOYSA-N 2 2 287.329 3.300 20 0 CGADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1N ZINC001244307819 803289903 /nfs/dbraw/zinc/28/99/03/803289903.db2.gz CRWOBWXYUUESMS-KRWDZBQOSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1N ZINC001244307819 803289905 /nfs/dbraw/zinc/28/99/05/803289905.db2.gz CRWOBWXYUUESMS-KRWDZBQOSA-N 2 2 295.430 3.031 20 0 CGADLP C[NH2+]Cc1cccc(-c2cccc(C(=[NH2+])OC)c2)c1F ZINC001244861098 803552837 /nfs/dbraw/zinc/55/28/37/803552837.db2.gz MTKLSYUOLZBRDE-UHFFFAOYSA-N 2 2 272.323 3.184 20 0 CGADLP Fc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c21 ZINC001137059231 803676934 /nfs/dbraw/zinc/67/69/34/803676934.db2.gz RYMCOAIICQLMRW-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP Cc1csc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC001137292552 803710614 /nfs/dbraw/zinc/71/06/14/803710614.db2.gz FPOCJNDYPUOPFP-AWEZNQCLSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001137292552 803710618 /nfs/dbraw/zinc/71/06/18/803710618.db2.gz FPOCJNDYPUOPFP-AWEZNQCLSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC001137292552 803710620 /nfs/dbraw/zinc/71/06/20/803710620.db2.gz FPOCJNDYPUOPFP-AWEZNQCLSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC001137292552 803710623 /nfs/dbraw/zinc/71/06/23/803710623.db2.gz FPOCJNDYPUOPFP-AWEZNQCLSA-N 2 2 284.856 3.238 20 0 CGADLP Cn1ccc2c[nH+]c(-c3ccc(C4CC[NH2+]CC4)cc3)nc21 ZINC001245524351 803789436 /nfs/dbraw/zinc/78/94/36/803789436.db2.gz YCEOGRPIXYHMGS-UHFFFAOYSA-N 2 2 292.386 3.102 20 0 CGADLP Cc1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)[nH+]c1N ZINC001245524415 803789853 /nfs/dbraw/zinc/78/98/53/803789853.db2.gz QAZPFUVIBHNRER-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846192 /nfs/dbraw/zinc/84/61/92/803846192.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846202 /nfs/dbraw/zinc/84/62/02/803846202.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846211 /nfs/dbraw/zinc/84/62/11/803846211.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062698 803846219 /nfs/dbraw/zinc/84/62/19/803846219.db2.gz WSWXDDJJZNXTRS-MAUKXSAKSA-N 2 2 296.414 3.071 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246080738 804117959 /nfs/dbraw/zinc/11/79/59/804117959.db2.gz NYQVPWCQFCEARI-SCRDCRAPSA-N 2 2 282.428 3.036 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246088713 804120256 /nfs/dbraw/zinc/12/02/56/804120256.db2.gz XDAZCLYZTYZGJF-GQGLESIBSA-N 2 2 276.399 3.002 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246088714 804120673 /nfs/dbraw/zinc/12/06/73/804120673.db2.gz XDAZCLYZTYZGJF-SJJHQCBESA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC001139066497 804123636 /nfs/dbraw/zinc/12/36/36/804123636.db2.gz UPXOEDWNTXJAAA-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC001139066497 804123638 /nfs/dbraw/zinc/12/36/38/804123638.db2.gz UPXOEDWNTXJAAA-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246096142 804128424 /nfs/dbraw/zinc/12/84/24/804128424.db2.gz ITEOGGUFTSEZMM-BXUZGUMPSA-N 2 2 284.856 3.162 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246115109 804146276 /nfs/dbraw/zinc/14/62/76/804146276.db2.gz GIGNXBAGIAJSLT-MISXGVKJSA-N 2 2 284.856 3.018 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246129710 804156238 /nfs/dbraw/zinc/15/62/38/804156238.db2.gz TYOLWJHERNUOBJ-MRXNPFEDSA-N 2 2 282.472 3.236 20 0 CGADLP CC[N@H+](Cc1ccc2c(ccn2C)c1)C1CC[NH+](C)CC1 ZINC001139194686 804157013 /nfs/dbraw/zinc/15/70/13/804157013.db2.gz UURCONYWBSUVLN-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](Cc1ccc2c(ccn2C)c1)C1CC[NH+](C)CC1 ZINC001139194686 804157016 /nfs/dbraw/zinc/15/70/16/804157016.db2.gz UURCONYWBSUVLN-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246131446 804157195 /nfs/dbraw/zinc/15/71/95/804157195.db2.gz KBTMBUYXGGRSOK-QMTHXVAHSA-N 2 2 299.245 3.266 20 0 CGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246187066 804198626 /nfs/dbraw/zinc/19/86/26/804198626.db2.gz LJDUFNXHEVAUCY-LRDDRELGSA-N 2 2 294.414 3.091 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196280 804204269 /nfs/dbraw/zinc/20/42/69/804204269.db2.gz SFNCZTQSFMSMNS-KSZLIROESA-N 3 2 295.515 3.151 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196280 804204279 /nfs/dbraw/zinc/20/42/79/804204279.db2.gz SFNCZTQSFMSMNS-KSZLIROESA-N 3 2 295.515 3.151 20 0 CGADLP c1ccc(C2([NH2+][C@H]3CC[NH2+]C3)CCCCCC2)cc1 ZINC001246198657 804205460 /nfs/dbraw/zinc/20/54/60/804205460.db2.gz TUVZMUSXHWAEAV-INIZCTEOSA-N 2 2 258.409 3.188 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001139603230 804221712 /nfs/dbraw/zinc/22/17/12/804221712.db2.gz BWFXAJQYYLUZAI-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001139603230 804221719 /nfs/dbraw/zinc/22/17/19/804221719.db2.gz BWFXAJQYYLUZAI-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC001246280044 804257068 /nfs/dbraw/zinc/25/70/68/804257068.db2.gz QDSPQDDIFROXNB-BEFAXECRSA-N 2 2 282.431 3.470 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246283461 804259114 /nfs/dbraw/zinc/25/91/14/804259114.db2.gz BCBGKDDGUCXWNA-JKSUJKDBSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246295721 804264909 /nfs/dbraw/zinc/26/49/09/804264909.db2.gz YTELAEMAIBMACY-UHOFOFEASA-N 2 2 264.388 3.253 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246302252 804268718 /nfs/dbraw/zinc/26/87/18/804268718.db2.gz XJHHLJJNQONKOT-CABCVRRESA-N 3 2 257.466 3.129 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC001246317064 804277330 /nfs/dbraw/zinc/27/73/30/804277330.db2.gz KSJCFPJKNHOGRF-WCQYABFASA-N 2 2 252.789 3.051 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335191 804289576 /nfs/dbraw/zinc/28/95/76/804289576.db2.gz HBDUOYIZAIIXJJ-SJORKVTESA-N 2 2 292.492 3.083 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC[NH2+]1 ZINC001246369602 804307691 /nfs/dbraw/zinc/30/76/91/804307691.db2.gz GFTHCPRPPRKOOL-AEGPPILISA-N 2 2 294.826 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570681 804417656 /nfs/dbraw/zinc/41/76/56/804417656.db2.gz SGOCRKZYYGFYGJ-VHDGCEQUSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570681 804417661 /nfs/dbraw/zinc/41/76/61/804417661.db2.gz SGOCRKZYYGFYGJ-VHDGCEQUSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246608792 804443708 /nfs/dbraw/zinc/44/37/08/804443708.db2.gz JUZURODOIQUTHW-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246608792 804443711 /nfs/dbraw/zinc/44/37/11/804443711.db2.gz JUZURODOIQUTHW-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC001140578898 804464459 /nfs/dbraw/zinc/46/44/59/804464459.db2.gz DJLUXYGXUREUAB-UHFFFAOYSA-N 2 2 276.424 3.007 20 0 CGADLP CCCCCC[C@H](CC)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648775 804474997 /nfs/dbraw/zinc/47/49/97/804474997.db2.gz NHMZJFJKYPATHI-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@H](CC)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648775 804474999 /nfs/dbraw/zinc/47/49/99/804474999.db2.gz NHMZJFJKYPATHI-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246647565 804476028 /nfs/dbraw/zinc/47/60/28/804476028.db2.gz IFBOVJHPSNGFDQ-RUXDESIVSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246647565 804476031 /nfs/dbraw/zinc/47/60/31/804476031.db2.gz IFBOVJHPSNGFDQ-RUXDESIVSA-N 2 2 290.373 3.326 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663324 804485141 /nfs/dbraw/zinc/48/51/41/804485141.db2.gz JGNIEDKIJSVLGX-GLQYFDAESA-N 2 2 298.352 3.073 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663324 804485145 /nfs/dbraw/zinc/48/51/45/804485145.db2.gz JGNIEDKIJSVLGX-GLQYFDAESA-N 2 2 298.352 3.073 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246664779 804486345 /nfs/dbraw/zinc/48/63/45/804486345.db2.gz ZBNHDUCGDGDQHZ-KXJMLMMSSA-N 2 2 264.457 3.405 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246664779 804486348 /nfs/dbraw/zinc/48/63/48/804486348.db2.gz ZBNHDUCGDGDQHZ-KXJMLMMSSA-N 2 2 264.457 3.405 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792219 804515486 /nfs/dbraw/zinc/51/54/86/804515486.db2.gz ONAHVPRCFBETRX-AXAPSJFSSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792219 804515491 /nfs/dbraw/zinc/51/54/91/804515491.db2.gz ONAHVPRCFBETRX-AXAPSJFSSA-N 2 2 280.362 3.242 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246798252 804520042 /nfs/dbraw/zinc/52/00/42/804520042.db2.gz NLJCFUHLFCURLM-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246798252 804520048 /nfs/dbraw/zinc/52/00/48/804520048.db2.gz NLJCFUHLFCURLM-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001246819445 804533283 /nfs/dbraw/zinc/53/32/83/804533283.db2.gz GDBMFPTZVSUYFL-QLFBSQMISA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001246819445 804533287 /nfs/dbraw/zinc/53/32/87/804533287.db2.gz GDBMFPTZVSUYFL-QLFBSQMISA-N 2 2 278.465 3.287 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827663 804538307 /nfs/dbraw/zinc/53/83/07/804538307.db2.gz QDPYQECVNZZGEX-MSOLQXFVSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827663 804538312 /nfs/dbraw/zinc/53/83/12/804538312.db2.gz QDPYQECVNZZGEX-MSOLQXFVSA-N 2 2 290.426 3.495 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCCC[NH2+]C1 ZINC001246839067 804548066 /nfs/dbraw/zinc/54/80/66/804548066.db2.gz HIXQXJMOLQTHKP-HNNXBMFYSA-N 2 2 266.816 3.304 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCCC[NH2+]C1 ZINC001246839067 804548073 /nfs/dbraw/zinc/54/80/73/804548073.db2.gz HIXQXJMOLQTHKP-HNNXBMFYSA-N 2 2 266.816 3.304 20 0 CGADLP C1CC12CCCC[N@@H+]2[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848972 804560173 /nfs/dbraw/zinc/56/01/73/804560173.db2.gz YNUZHDQCDSJHKZ-OAHLLOKOSA-N 2 2 262.441 3.460 20 0 CGADLP C1CC12CCCC[N@H+]2[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848972 804560179 /nfs/dbraw/zinc/56/01/79/804560179.db2.gz YNUZHDQCDSJHKZ-OAHLLOKOSA-N 2 2 262.441 3.460 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001246864666 804568190 /nfs/dbraw/zinc/56/81/90/804568190.db2.gz VQIPXNORMUSAOI-DYEKYZERSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001246864666 804568192 /nfs/dbraw/zinc/56/81/92/804568192.db2.gz VQIPXNORMUSAOI-DYEKYZERSA-N 2 2 298.883 3.490 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866890 804569748 /nfs/dbraw/zinc/56/97/48/804569748.db2.gz GAKRHKFVMGOPPG-ZBFHGGJFSA-N 2 2 282.378 3.173 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866890 804569754 /nfs/dbraw/zinc/56/97/54/804569754.db2.gz GAKRHKFVMGOPPG-ZBFHGGJFSA-N 2 2 282.378 3.173 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923336 804602494 /nfs/dbraw/zinc/60/24/94/804602494.db2.gz WBJQEJZKZYMEIS-KWCYVHTRSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923336 804602498 /nfs/dbraw/zinc/60/24/98/804602498.db2.gz WBJQEJZKZYMEIS-KWCYVHTRSA-N 2 2 290.373 3.324 20 0 CGADLP CC1(C)CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246948831 804616471 /nfs/dbraw/zinc/61/64/71/804616471.db2.gz MQTZQPYWVQQZGD-DLBZAZTESA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246948831 804616474 /nfs/dbraw/zinc/61/64/74/804616474.db2.gz MQTZQPYWVQQZGD-DLBZAZTESA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965377 804619093 /nfs/dbraw/zinc/61/90/93/804619093.db2.gz UNEQTVSZQSKSRC-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965377 804619098 /nfs/dbraw/zinc/61/90/98/804619098.db2.gz UNEQTVSZQSKSRC-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H](CC1CC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978028 804625762 /nfs/dbraw/zinc/62/57/62/804625762.db2.gz IPOQSHDOKOUTJD-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978028 804625766 /nfs/dbraw/zinc/62/57/66/804625766.db2.gz IPOQSHDOKOUTJD-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014861 804642720 /nfs/dbraw/zinc/64/27/20/804642720.db2.gz LZMZZZIGYNFLCP-GFJIZPEISA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014861 804642725 /nfs/dbraw/zinc/64/27/25/804642725.db2.gz LZMZZZIGYNFLCP-GFJIZPEISA-N 2 2 290.373 3.181 20 0 CGADLP c1cn(Cc2cccc(Nc3ccc4c[nH+]cn4c3)c2)c[nH+]1 ZINC001250327702 805571858 /nfs/dbraw/zinc/57/18/58/805571858.db2.gz AQJAGDQXBDAWSV-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP CCC1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001256875180 806997121 /nfs/dbraw/zinc/99/71/21/806997121.db2.gz QFFIPWJMDVVMAY-SLTAFYQDSA-N 2 2 261.413 3.491 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911920 807008715 /nfs/dbraw/zinc/00/87/15/807008715.db2.gz XSGBYVPVPIWYTG-QSJFSLAZSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256911920 807008721 /nfs/dbraw/zinc/00/87/21/807008721.db2.gz XSGBYVPVPIWYTG-QSJFSLAZSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001257309386 807100041 /nfs/dbraw/zinc/10/00/41/807100041.db2.gz KHXBUHIEEGRAGM-AEFFLSMTSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257319240 807105275 /nfs/dbraw/zinc/10/52/75/807105275.db2.gz LTNKVWSLXMBOHW-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257319240 807105282 /nfs/dbraw/zinc/10/52/82/807105282.db2.gz LTNKVWSLXMBOHW-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257319240 807105286 /nfs/dbraw/zinc/10/52/86/807105286.db2.gz LTNKVWSLXMBOHW-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257319240 807105291 /nfs/dbraw/zinc/10/52/91/807105291.db2.gz LTNKVWSLXMBOHW-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](CC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001257426624 807151233 /nfs/dbraw/zinc/15/12/33/807151233.db2.gz QTUYNYPIZFEBIK-HNNXBMFYSA-N 2 2 291.439 3.181 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001257465481 807170514 /nfs/dbraw/zinc/17/05/14/807170514.db2.gz FQVDIXRJSUKNBN-HNNXBMFYSA-N 2 2 260.381 3.176 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001257465481 807170517 /nfs/dbraw/zinc/17/05/17/807170517.db2.gz FQVDIXRJSUKNBN-HNNXBMFYSA-N 2 2 260.381 3.176 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001257478932 807176510 /nfs/dbraw/zinc/17/65/10/807176510.db2.gz UXDTYFPCTBDJML-ZIAGYGMSSA-N 2 2 251.418 3.157 20 0 CGADLP COc1cc[nH+]c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212693104 815105683 /nfs/dbraw/zinc/10/56/83/815105683.db2.gz COXQWSXHRBKZEI-UHFFFAOYSA-N 2 2 280.331 3.079 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258063444 807283690 /nfs/dbraw/zinc/28/36/90/807283690.db2.gz MWSVDUWNRDGRKE-HUUCEWRRSA-N 2 2 254.462 3.473 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258063444 807283691 /nfs/dbraw/zinc/28/36/91/807283691.db2.gz MWSVDUWNRDGRKE-HUUCEWRRSA-N 2 2 254.462 3.473 20 0 CGADLP C[C@H]1CC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001258167017 807333835 /nfs/dbraw/zinc/33/38/35/807333835.db2.gz FLELXTBCLNBDFO-MCIONIFRSA-N 2 2 261.413 3.347 20 0 CGADLP Cc1[nH+]c2ccc(NC3C[NH+](C(C)C)C3)cc2n1C(C)C ZINC001168314553 807381404 /nfs/dbraw/zinc/38/14/04/807381404.db2.gz OOFJAUMFLCKVRS-UHFFFAOYSA-N 2 2 286.423 3.430 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001258319254 807408784 /nfs/dbraw/zinc/40/87/84/807408784.db2.gz JUKOUEFJBGUUNK-CQSZACIVSA-N 2 2 272.502 3.228 20 0 CGADLP Fc1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001168438373 807414183 /nfs/dbraw/zinc/41/41/83/807414183.db2.gz AIUSHWZUZMAFNO-RDJZCZTQSA-N 2 2 299.393 3.219 20 0 CGADLP CC[N@H+]([C@@H](C)CC(C)(C)SC)C1CC[NH+](C)CC1 ZINC001258342930 807420089 /nfs/dbraw/zinc/42/00/89/807420089.db2.gz OYMIUCJIUMEVCJ-ZDUSSCGKSA-N 2 2 272.502 3.323 20 0 CGADLP CC[N@@H+]([C@@H](C)CC(C)(C)SC)C1CC[NH+](C)CC1 ZINC001258342930 807420092 /nfs/dbraw/zinc/42/00/92/807420092.db2.gz OYMIUCJIUMEVCJ-ZDUSSCGKSA-N 2 2 272.502 3.323 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001168496988 807436143 /nfs/dbraw/zinc/43/61/43/807436143.db2.gz LZTFBPBRCFWKNL-AWEZNQCLSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001168496988 807436146 /nfs/dbraw/zinc/43/61/46/807436146.db2.gz LZTFBPBRCFWKNL-AWEZNQCLSA-N 2 2 290.426 3.315 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168501678 807438287 /nfs/dbraw/zinc/43/82/87/807438287.db2.gz UNQKLTQDYCEDLE-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168501678 807438290 /nfs/dbraw/zinc/43/82/90/807438290.db2.gz UNQKLTQDYCEDLE-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690756 807547160 /nfs/dbraw/zinc/54/71/60/807547160.db2.gz VAEZNYCYDCMHNC-ILXRZTDVSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690756 807547167 /nfs/dbraw/zinc/54/71/67/807547167.db2.gz VAEZNYCYDCMHNC-ILXRZTDVSA-N 2 2 264.457 3.418 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001258701381 807556497 /nfs/dbraw/zinc/55/64/97/807556497.db2.gz IBORCYAXWOOFDT-DOTOQJQBSA-N 2 2 262.441 3.328 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3F)CC1)C2 ZINC001169107988 807578663 /nfs/dbraw/zinc/57/86/63/807578663.db2.gz MJPBSVSFSJFPHA-BTTYYORXSA-N 2 2 292.373 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3F)CC1)C2 ZINC001169107988 807578667 /nfs/dbraw/zinc/57/86/67/807578667.db2.gz MJPBSVSFSJFPHA-BTTYYORXSA-N 2 2 292.373 3.169 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC001169101826 807579451 /nfs/dbraw/zinc/57/94/51/807579451.db2.gz VPSNYXFDDAESKI-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001169101826 807579457 /nfs/dbraw/zinc/57/94/57/807579457.db2.gz VPSNYXFDDAESKI-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP Cc1cc([NH+]2CCCCC2)ccc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169234616 807611480 /nfs/dbraw/zinc/61/14/80/807611480.db2.gz IWVGZURLFOJOJT-AWEZNQCLSA-N 2 2 284.407 3.191 20 0 CGADLP CC(C)C1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258806272 807626216 /nfs/dbraw/zinc/62/62/16/807626216.db2.gz OTCQYVRJIAGYDV-MNAZLIDISA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258806272 807626221 /nfs/dbraw/zinc/62/62/21/807626221.db2.gz OTCQYVRJIAGYDV-MNAZLIDISA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001258806272 807626223 /nfs/dbraw/zinc/62/62/23/807626223.db2.gz OTCQYVRJIAGYDV-MNAZLIDISA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001258806272 807626226 /nfs/dbraw/zinc/62/62/26/807626226.db2.gz OTCQYVRJIAGYDV-MNAZLIDISA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001170070016 807746870 /nfs/dbraw/zinc/74/68/70/807746870.db2.gz AMSFMUQFFVVJJN-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001170070016 807746871 /nfs/dbraw/zinc/74/68/71/807746871.db2.gz AMSFMUQFFVVJJN-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001170724771 807886374 /nfs/dbraw/zinc/88/63/74/807886374.db2.gz QDLYDFGNISMILL-MUJYYYPQSA-N 2 2 285.435 3.075 20 0 CGADLP COc1cccc2c(NCCn3cc[nH+]c3C)c(C)c[nH+]c12 ZINC001262705068 807898786 /nfs/dbraw/zinc/89/87/86/807898786.db2.gz WHVRVYFXIRVGSL-UHFFFAOYSA-N 2 2 296.374 3.169 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(Cl)ccn2)CC1(C)C ZINC001171612933 808105328 /nfs/dbraw/zinc/10/53/28/808105328.db2.gz ACCJRSPSNQSEPV-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001171665298 808116709 /nfs/dbraw/zinc/11/67/09/808116709.db2.gz MHTPLDVTIMCKQK-MRXNPFEDSA-N 2 2 284.403 3.380 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001171959459 808159830 /nfs/dbraw/zinc/15/98/30/808159830.db2.gz ZFOMAGJXDONRGR-NSHDSACASA-N 2 2 297.324 3.207 20 0 CGADLP c1cn2cc(C[NH2+][C@H]3CSc4ccccc4C3)ccc2[nH+]1 ZINC001172194872 808195022 /nfs/dbraw/zinc/19/50/22/808195022.db2.gz XBFNZPLNBDPCIF-OAHLLOKOSA-N 2 2 295.411 3.141 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172388653 808280742 /nfs/dbraw/zinc/28/07/42/808280742.db2.gz NGLXENPUTVJIJY-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172388653 808280746 /nfs/dbraw/zinc/28/07/46/808280746.db2.gz NGLXENPUTVJIJY-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP CC[C@@H](CC(C)C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172404827 808293415 /nfs/dbraw/zinc/29/34/15/808293415.db2.gz MBEVNNGNUPTDGV-HNNXBMFYSA-N 2 2 275.440 3.465 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2c[nH+]c(C)n2C)cc1 ZINC001212970107 815192301 /nfs/dbraw/zinc/19/23/01/815192301.db2.gz WQFUAICKOXMMGR-UHFFFAOYSA-N 2 2 258.369 3.318 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538966 808372531 /nfs/dbraw/zinc/37/25/31/808372531.db2.gz YCHXRUMUOIISLW-OIISXLGYSA-N 2 2 260.425 3.253 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708925 808413308 /nfs/dbraw/zinc/41/33/08/808413308.db2.gz PLIMYNZMAMDQQZ-MRXNPFEDSA-N 2 2 280.843 3.129 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708925 808413311 /nfs/dbraw/zinc/41/33/11/808413311.db2.gz PLIMYNZMAMDQQZ-MRXNPFEDSA-N 2 2 280.843 3.129 20 0 CGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(F)cc2Cl)c1CC[NH3+] ZINC001172863005 808466521 /nfs/dbraw/zinc/46/65/21/808466521.db2.gz KUOXSWCRHKYDDZ-JTQLQIEISA-N 2 2 295.789 3.289 20 0 CGADLP [NH3+]CCc1[nH+]ccn1C1CCC2(CCCCC2)CC1 ZINC001173115418 808515994 /nfs/dbraw/zinc/51/59/94/808515994.db2.gz ZNDWDXZBUMTCBA-UHFFFAOYSA-N 2 2 261.413 3.450 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282065 808584277 /nfs/dbraw/zinc/58/42/77/808584277.db2.gz CTJRVWQSIACWEU-OAGGEKHMSA-N 2 2 274.408 3.422 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282065 808584281 /nfs/dbraw/zinc/58/42/81/808584281.db2.gz CTJRVWQSIACWEU-OAGGEKHMSA-N 2 2 274.408 3.422 20 0 CGADLP CCSC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001173296374 808597100 /nfs/dbraw/zinc/59/71/00/808597100.db2.gz RWVSHBHFAVRILJ-ZBFHGGJFSA-N 2 2 284.513 3.372 20 0 CGADLP CCSC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001173296374 808597104 /nfs/dbraw/zinc/59/71/04/808597104.db2.gz RWVSHBHFAVRILJ-ZBFHGGJFSA-N 2 2 284.513 3.372 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC001173338680 808618874 /nfs/dbraw/zinc/61/88/74/808618874.db2.gz JXHVSESUCOKZEE-OAHLLOKOSA-N 2 2 261.413 3.366 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1(c3ccccc3)CCCC1)C2 ZINC001274880948 808891656 /nfs/dbraw/zinc/89/16/56/808891656.db2.gz ZUHWNKAQLBMMGV-AEFFLSMTSA-N 2 2 284.447 3.134 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1(c3ccccc3)CCCC1)C2 ZINC001274880948 808891662 /nfs/dbraw/zinc/89/16/62/808891662.db2.gz ZUHWNKAQLBMMGV-AEFFLSMTSA-N 2 2 284.447 3.134 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001274880948 808891666 /nfs/dbraw/zinc/89/16/66/808891666.db2.gz ZUHWNKAQLBMMGV-AEFFLSMTSA-N 2 2 284.447 3.134 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001274880948 808891674 /nfs/dbraw/zinc/89/16/74/808891674.db2.gz ZUHWNKAQLBMMGV-AEFFLSMTSA-N 2 2 284.447 3.134 20 0 CGADLP C(C1CCCC1)[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001275156176 808917835 /nfs/dbraw/zinc/91/78/35/808917835.db2.gz VYGLZSRTQRHUKO-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CCCC1)[N@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001275156176 808917838 /nfs/dbraw/zinc/91/78/38/808917838.db2.gz VYGLZSRTQRHUKO-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CCCC1)[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275156176 808917844 /nfs/dbraw/zinc/91/78/44/808917844.db2.gz VYGLZSRTQRHUKO-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CCCC1)[NH+]1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275156176 808917849 /nfs/dbraw/zinc/91/78/49/808917849.db2.gz VYGLZSRTQRHUKO-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP Cc1c[nH+]cc(Nc2cccc(N3CC[NH+](C)CC3)c2)c1C ZINC001213530802 815299813 /nfs/dbraw/zinc/29/98/13/815299813.db2.gz LZSFGIXPUZJOPE-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1[nH]cc[nH+]1 ZINC001176085804 809620569 /nfs/dbraw/zinc/62/05/69/809620569.db2.gz ZYEPSLBEWYLGOE-UHFFFAOYSA-N 2 2 256.353 3.452 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001177784220 809820810 /nfs/dbraw/zinc/82/08/10/809820810.db2.gz LARPDJDUPCXJBH-SFHVURJKSA-N 2 2 274.452 3.256 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001177784220 809820813 /nfs/dbraw/zinc/82/08/13/809820813.db2.gz LARPDJDUPCXJBH-SFHVURJKSA-N 2 2 274.452 3.256 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC001178640340 809880789 /nfs/dbraw/zinc/88/07/89/809880789.db2.gz QPVBHIOWNTXIHC-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC001178640340 809880793 /nfs/dbraw/zinc/88/07/93/809880793.db2.gz QPVBHIOWNTXIHC-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP COc1ccccc1/C=C\C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001179747615 809941546 /nfs/dbraw/zinc/94/15/46/809941546.db2.gz NIBIINCISBKGPP-PXAMLJHWSA-N 2 2 290.451 3.274 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768097 809943631 /nfs/dbraw/zinc/94/36/31/809943631.db2.gz KOAXENYQNKQRJJ-DTQAZKPQSA-N 2 2 272.436 3.411 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768097 809943636 /nfs/dbraw/zinc/94/36/36/809943636.db2.gz KOAXENYQNKQRJJ-DTQAZKPQSA-N 2 2 272.436 3.411 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919259 810130798 /nfs/dbraw/zinc/13/07/98/810130798.db2.gz YDAQFEPTWCSRMQ-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919259 810130802 /nfs/dbraw/zinc/13/08/02/810130802.db2.gz YDAQFEPTWCSRMQ-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP CCc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc(C)[nH+]1 ZINC001184998184 810228235 /nfs/dbraw/zinc/22/82/35/810228235.db2.gz AZUTZDLTAHHEMH-MGPQQGTHSA-N 2 2 290.455 3.126 20 0 CGADLP CCCN(CC[NH+]1CCCCCC1)Cc1[nH]c(C)[nH+]c1C ZINC001194781937 811132047 /nfs/dbraw/zinc/13/20/47/811132047.db2.gz LRDUGBZGQNQTSP-UHFFFAOYSA-N 2 2 292.471 3.115 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC001199268400 811568484 /nfs/dbraw/zinc/56/84/84/811568484.db2.gz WWJZMQTWNBTVBN-PVAVHDDUSA-N 2 2 264.457 3.300 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC001199268400 811568491 /nfs/dbraw/zinc/56/84/91/811568491.db2.gz WWJZMQTWNBTVBN-PVAVHDDUSA-N 2 2 264.457 3.300 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202415048 812087429 /nfs/dbraw/zinc/08/74/29/812087429.db2.gz ICUIPSLIBLGVNB-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[NH+](C)C ZINC001202436457 812093554 /nfs/dbraw/zinc/09/35/54/812093554.db2.gz SGLQTNXZYAVQAN-UOVPBQLFSA-N 2 2 274.452 3.499 20 0 CGADLP Cc1scc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001203328953 812313365 /nfs/dbraw/zinc/31/33/65/812313365.db2.gz YRCVTECWZBLFNP-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1scc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1C ZINC001203328953 812313373 /nfs/dbraw/zinc/31/33/73/812313373.db2.gz YRCVTECWZBLFNP-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001204174752 812565168 /nfs/dbraw/zinc/56/51/68/812565168.db2.gz AXSAGBGURPALFB-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001204174752 812565171 /nfs/dbraw/zinc/56/51/71/812565171.db2.gz AXSAGBGURPALFB-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001204204660 812574110 /nfs/dbraw/zinc/57/41/10/812574110.db2.gz JGIBPSKMHXCIKT-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001204204660 812574114 /nfs/dbraw/zinc/57/41/14/812574114.db2.gz JGIBPSKMHXCIKT-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001204631985 812696611 /nfs/dbraw/zinc/69/66/11/812696611.db2.gz REEJAJRILNUOLL-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204641350 812699367 /nfs/dbraw/zinc/69/93/67/812699367.db2.gz BMTZAONVRSFKPI-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001204700102 812712823 /nfs/dbraw/zinc/71/28/23/812712823.db2.gz XCJVJBYPLGZPTQ-UHFFFAOYSA-N 2 2 274.795 3.398 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1Cl ZINC001204700102 812712827 /nfs/dbraw/zinc/71/28/27/812712827.db2.gz XCJVJBYPLGZPTQ-UHFFFAOYSA-N 2 2 274.795 3.398 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204770525 812730746 /nfs/dbraw/zinc/73/07/46/812730746.db2.gz GDFBPPCPDRMWKQ-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204770525 812730753 /nfs/dbraw/zinc/73/07/53/812730753.db2.gz GDFBPPCPDRMWKQ-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001204933654 812783520 /nfs/dbraw/zinc/78/35/20/812783520.db2.gz WQHFMRYYWWUNIE-AWEZNQCLSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001204933654 812783527 /nfs/dbraw/zinc/78/35/27/812783527.db2.gz WQHFMRYYWWUNIE-AWEZNQCLSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001204933656 812783797 /nfs/dbraw/zinc/78/37/97/812783797.db2.gz WQHFMRYYWWUNIE-CQSZACIVSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001204933656 812783801 /nfs/dbraw/zinc/78/38/01/812783801.db2.gz WQHFMRYYWWUNIE-CQSZACIVSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2nc3ccccc3cc2Cl)CC1 ZINC001205124412 812877959 /nfs/dbraw/zinc/87/79/59/812877959.db2.gz QNNAJSUSLQIQGV-CYBMUJFWSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2nc3ccccc3cc2Cl)CC1 ZINC001205124412 812877965 /nfs/dbraw/zinc/87/79/65/812877965.db2.gz QNNAJSUSLQIQGV-CYBMUJFWSA-N 2 2 289.810 3.201 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205266689 812921909 /nfs/dbraw/zinc/92/19/09/812921909.db2.gz WGRTUALAXFBEJR-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205266689 812921915 /nfs/dbraw/zinc/92/19/15/812921915.db2.gz WGRTUALAXFBEJR-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205326257 812956368 /nfs/dbraw/zinc/95/63/68/812956368.db2.gz XAZRIKPSODFWKL-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205326257 812956373 /nfs/dbraw/zinc/95/63/73/812956373.db2.gz XAZRIKPSODFWKL-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CCC1 ZINC001205434915 812982818 /nfs/dbraw/zinc/98/28/18/812982818.db2.gz UALQDHKFMKFLRV-GJZGRUSLSA-N 2 2 294.483 3.187 20 0 CGADLP Cc1cccnc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001205813911 813091201 /nfs/dbraw/zinc/09/12/01/813091201.db2.gz PBVUWFWDFPWALU-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cccnc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001205813911 813091211 /nfs/dbraw/zinc/09/12/11/813091211.db2.gz PBVUWFWDFPWALU-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(C)c1F ZINC001205828438 813099725 /nfs/dbraw/zinc/09/97/25/813099725.db2.gz LBDQLJMQDUIUSQ-XHDPSFHLSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(C)c1F ZINC001205828438 813099730 /nfs/dbraw/zinc/09/97/30/813099730.db2.gz LBDQLJMQDUIUSQ-XHDPSFHLSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205902055 813124941 /nfs/dbraw/zinc/12/49/41/813124941.db2.gz HCNWNQHDAWHFOE-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205902055 813124945 /nfs/dbraw/zinc/12/49/45/813124945.db2.gz HCNWNQHDAWHFOE-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC001205904255 813126643 /nfs/dbraw/zinc/12/66/43/813126643.db2.gz TYHGLKSJPPIIPJ-DGCLKSJQSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1 ZINC001205904255 813126646 /nfs/dbraw/zinc/12/66/46/813126646.db2.gz TYHGLKSJPPIIPJ-DGCLKSJQSA-N 2 2 297.240 3.008 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205938374 813140663 /nfs/dbraw/zinc/14/06/63/813140663.db2.gz GZBPGDKTQHYSNU-KRWDZBQOSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205938374 813140665 /nfs/dbraw/zinc/14/06/65/813140665.db2.gz GZBPGDKTQHYSNU-KRWDZBQOSA-N 2 2 290.451 3.404 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2cccs2)C[C@H]1[NH3+] ZINC001206065119 813187921 /nfs/dbraw/zinc/18/79/21/813187921.db2.gz NKXYXVBNUUJNHE-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2cccs2)C[C@H]1[NH3+] ZINC001206065119 813187923 /nfs/dbraw/zinc/18/79/23/813187923.db2.gz NKXYXVBNUUJNHE-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP Cc1ccc(CCC[N@@H+](C(C)C)C2CC[NH+](C)CC2)o1 ZINC001207949738 813678280 /nfs/dbraw/zinc/67/82/80/813678280.db2.gz NRMZLYUYNBRVAB-UHFFFAOYSA-N 2 2 278.440 3.325 20 0 CGADLP Cc1ccc(CCC[N@H+](C(C)C)C2CC[NH+](C)CC2)o1 ZINC001207949738 813678282 /nfs/dbraw/zinc/67/82/82/813678282.db2.gz NRMZLYUYNBRVAB-UHFFFAOYSA-N 2 2 278.440 3.325 20 0 CGADLP C[C@H](CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665271 813789847 /nfs/dbraw/zinc/78/98/47/813789847.db2.gz PWYJKSUCSXFWFA-BZUAXINKSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665271 813789850 /nfs/dbraw/zinc/78/98/50/813789850.db2.gz PWYJKSUCSXFWFA-BZUAXINKSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665271 813789853 /nfs/dbraw/zinc/78/98/53/813789853.db2.gz PWYJKSUCSXFWFA-BZUAXINKSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665271 813789857 /nfs/dbraw/zinc/78/98/57/813789857.db2.gz PWYJKSUCSXFWFA-BZUAXINKSA-N 2 2 266.473 3.475 20 0 CGADLP CCC(=O)C(C)(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208921767 813900903 /nfs/dbraw/zinc/90/09/03/813900903.db2.gz QOFZZTPTGLALPV-UHFFFAOYSA-N 2 2 299.418 3.309 20 0 CGADLP CCC(=O)C(C)(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208921767 813900907 /nfs/dbraw/zinc/90/09/07/813900907.db2.gz QOFZZTPTGLALPV-UHFFFAOYSA-N 2 2 299.418 3.309 20 0 CGADLP CC[N@@H+](CCc1ccc(F)cc1Cl)CCn1cc[nH+]c1 ZINC001209114948 813937411 /nfs/dbraw/zinc/93/74/11/813937411.db2.gz HWKHSNOSZCSNFG-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP CC[N@H+](CCc1ccc(F)cc1Cl)CCn1cc[nH+]c1 ZINC001209114948 813937416 /nfs/dbraw/zinc/93/74/16/813937416.db2.gz HWKHSNOSZCSNFG-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235371 813978023 /nfs/dbraw/zinc/97/80/23/813978023.db2.gz OVLWTJVXSKPVHO-MOPGFXCFSA-N 2 2 286.463 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235371 813978026 /nfs/dbraw/zinc/97/80/26/813978026.db2.gz OVLWTJVXSKPVHO-MOPGFXCFSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235371 813978032 /nfs/dbraw/zinc/97/80/32/813978032.db2.gz OVLWTJVXSKPVHO-MOPGFXCFSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235371 813978038 /nfs/dbraw/zinc/97/80/38/813978038.db2.gz OVLWTJVXSKPVHO-MOPGFXCFSA-N 2 2 286.463 3.425 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001209734155 814125500 /nfs/dbraw/zinc/12/55/00/814125500.db2.gz LXYPHMDKTGLXRA-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001209734155 814125502 /nfs/dbraw/zinc/12/55/02/814125502.db2.gz LXYPHMDKTGLXRA-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)CC[NH2+]1 ZINC001210476284 814478849 /nfs/dbraw/zinc/47/88/49/814478849.db2.gz UGGYUUCHAOMACB-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[NH2+]1 ZINC001210476284 814478853 /nfs/dbraw/zinc/47/88/53/814478853.db2.gz UGGYUUCHAOMACB-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3c(F)cccc23)CC[NH2+]1 ZINC001210517991 814503616 /nfs/dbraw/zinc/50/36/16/814503616.db2.gz CKTFSFUBSLBUCC-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[NH2+]1 ZINC001210517991 814503621 /nfs/dbraw/zinc/50/36/21/814503621.db2.gz CKTFSFUBSLBUCC-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001211138778 814837111 /nfs/dbraw/zinc/83/71/11/814837111.db2.gz SZXVEFOAQRJJMY-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249473 816386645 /nfs/dbraw/zinc/38/66/45/816386645.db2.gz SYMNRMQVBUFGGF-MRXNPFEDSA-N 2 2 280.362 3.342 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222249473 816386648 /nfs/dbraw/zinc/38/66/48/816386648.db2.gz SYMNRMQVBUFGGF-MRXNPFEDSA-N 2 2 280.362 3.342 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222292526 816398982 /nfs/dbraw/zinc/39/89/82/816398982.db2.gz DNIUSTRVFHGXMK-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2c(c1)CCCC2 ZINC001222353606 816417740 /nfs/dbraw/zinc/41/77/40/816417740.db2.gz CKBVSEWYBMVRSL-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c2c(c1)CCCC2 ZINC001222353606 816417745 /nfs/dbraw/zinc/41/77/45/816417745.db2.gz CKBVSEWYBMVRSL-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222353835 816417791 /nfs/dbraw/zinc/41/77/91/816417791.db2.gz IUAVTXZZAMWHBF-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222353835 816417796 /nfs/dbraw/zinc/41/77/96/816417796.db2.gz IUAVTXZZAMWHBF-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434440 816443407 /nfs/dbraw/zinc/44/34/07/816443407.db2.gz JOQGFZGJLSTCFH-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434440 816443412 /nfs/dbraw/zinc/44/34/12/816443412.db2.gz JOQGFZGJLSTCFH-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP C[NH2+]Cc1ccc(-c2cc(C)cn3cc[nH+]c23)cc1 ZINC001242992562 823201505 /nfs/dbraw/zinc/20/15/05/823201505.db2.gz LCGYNJVLKANUFF-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP C[NH2+]Cc1cccc(-c2cccc3[nH+]c(C)cn32)c1 ZINC001242997346 823204429 /nfs/dbraw/zinc/20/44/29/823204429.db2.gz OKQITDPFNAPJGZ-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Oc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001225296443 817001064 /nfs/dbraw/zinc/00/10/64/817001064.db2.gz VNUJQMSYVINBFF-WDSOQIARSA-N 2 2 294.398 3.371 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Oc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001225296443 817001076 /nfs/dbraw/zinc/00/10/76/817001076.db2.gz VNUJQMSYVINBFF-WDSOQIARSA-N 2 2 294.398 3.371 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001231789946 818176786 /nfs/dbraw/zinc/17/67/86/818176786.db2.gz MUQQXRAOWHFZMO-MOPGFXCFSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001231789946 818176788 /nfs/dbraw/zinc/17/67/88/818176788.db2.gz MUQQXRAOWHFZMO-MOPGFXCFSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001231789946 818176790 /nfs/dbraw/zinc/17/67/90/818176790.db2.gz MUQQXRAOWHFZMO-MOPGFXCFSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001231789946 818176791 /nfs/dbraw/zinc/17/67/91/818176791.db2.gz MUQQXRAOWHFZMO-MOPGFXCFSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001231789951 818176845 /nfs/dbraw/zinc/17/68/45/818176845.db2.gz MUQQXRAOWHFZMO-RBUKOAKNSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001231789951 818176848 /nfs/dbraw/zinc/17/68/48/818176848.db2.gz MUQQXRAOWHFZMO-RBUKOAKNSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001231789951 818176850 /nfs/dbraw/zinc/17/68/50/818176850.db2.gz MUQQXRAOWHFZMO-RBUKOAKNSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001231789951 818176852 /nfs/dbraw/zinc/17/68/52/818176852.db2.gz MUQQXRAOWHFZMO-RBUKOAKNSA-N 2 2 286.463 3.411 20 0 CGADLP Cc1cc(O)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001232880867 818462391 /nfs/dbraw/zinc/46/23/91/818462391.db2.gz AAGZYMLZDIPNCB-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1O ZINC001243308351 823338780 /nfs/dbraw/zinc/33/87/80/823338780.db2.gz LCJQIQYNQHUVDI-GOSISDBHSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1O ZINC001243308351 823338786 /nfs/dbraw/zinc/33/87/86/823338786.db2.gz LCJQIQYNQHUVDI-GOSISDBHSA-N 2 2 296.414 3.209 20 0 CGADLP COc1cc(C[N@@H+]2CCC23CCCC3)ccc1-n1cc[nH+]c1 ZINC001234044084 818766528 /nfs/dbraw/zinc/76/65/28/818766528.db2.gz ULKOTEUBPVIENE-UHFFFAOYSA-N 2 2 297.402 3.399 20 0 CGADLP COc1cc(C[N@H+]2CCC23CCCC3)ccc1-n1cc[nH+]c1 ZINC001234044084 818766534 /nfs/dbraw/zinc/76/65/34/818766534.db2.gz ULKOTEUBPVIENE-UHFFFAOYSA-N 2 2 297.402 3.399 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016216 818979353 /nfs/dbraw/zinc/97/93/53/818979353.db2.gz DHONFALRNJAXCX-NXNVCVFFSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016216 818979359 /nfs/dbraw/zinc/97/93/59/818979359.db2.gz DHONFALRNJAXCX-NXNVCVFFSA-N 2 2 290.838 3.127 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235021551 818980142 /nfs/dbraw/zinc/98/01/42/818980142.db2.gz KPKHQDLURZDFCB-XJKSGUPXSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235021551 818980146 /nfs/dbraw/zinc/98/01/46/818980146.db2.gz KPKHQDLURZDFCB-XJKSGUPXSA-N 2 2 286.444 3.394 20 0 CGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235067314 818995367 /nfs/dbraw/zinc/99/53/67/818995367.db2.gz YLEVLNGRRAVSCF-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235067314 818995369 /nfs/dbraw/zinc/99/53/69/818995369.db2.gz YLEVLNGRRAVSCF-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235162591 819020093 /nfs/dbraw/zinc/02/00/93/819020093.db2.gz YPPIETQTBWOJCS-FXAWDEMLSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235162591 819020098 /nfs/dbraw/zinc/02/00/98/819020098.db2.gz YPPIETQTBWOJCS-FXAWDEMLSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235168862 819023268 /nfs/dbraw/zinc/02/32/68/819023268.db2.gz HCKMHQYWGOWDRE-VQTJNVASSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235168862 819023274 /nfs/dbraw/zinc/02/32/74/819023274.db2.gz HCKMHQYWGOWDRE-VQTJNVASSA-N 2 2 292.426 3.201 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235193936 819032927 /nfs/dbraw/zinc/03/29/27/819032927.db2.gz SSWQOGMBXMYIJN-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235193936 819032934 /nfs/dbraw/zinc/03/29/34/819032934.db2.gz SSWQOGMBXMYIJN-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235247286 819047613 /nfs/dbraw/zinc/04/76/13/819047613.db2.gz DVCUWIOVILPMSP-CZUORRHYSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235247286 819047621 /nfs/dbraw/zinc/04/76/21/819047621.db2.gz DVCUWIOVILPMSP-CZUORRHYSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC001235258969 819053712 /nfs/dbraw/zinc/05/37/12/819053712.db2.gz CMWJOTCXPNOPRD-GDBMZVCRSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC001235258969 819053717 /nfs/dbraw/zinc/05/37/17/819053717.db2.gz CMWJOTCXPNOPRD-GDBMZVCRSA-N 2 2 278.827 3.141 20 0 CGADLP c1cc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cs1 ZINC001235261747 819055128 /nfs/dbraw/zinc/05/51/28/819055128.db2.gz PRSOSMPCSUBYJQ-IRXDYDNUSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cs1 ZINC001235261747 819055133 /nfs/dbraw/zinc/05/51/33/819055133.db2.gz PRSOSMPCSUBYJQ-IRXDYDNUSA-N 2 2 284.428 3.209 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263304 819057867 /nfs/dbraw/zinc/05/78/67/819057867.db2.gz TZVLBGYVEIZMDB-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263304 819057872 /nfs/dbraw/zinc/05/78/72/819057872.db2.gz TZVLBGYVEIZMDB-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP CC(C)(C[N@@H+]1CC[C@H]([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235364537 819079174 /nfs/dbraw/zinc/07/91/74/819079174.db2.gz YMRPXQCFFSENDU-LBPRGKRZSA-N 2 2 284.856 3.244 20 0 CGADLP CC(C)(C[N@H+]1CC[C@H]([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235364537 819079180 /nfs/dbraw/zinc/07/91/80/819079180.db2.gz YMRPXQCFFSENDU-LBPRGKRZSA-N 2 2 284.856 3.244 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399651 819084758 /nfs/dbraw/zinc/08/47/58/819084758.db2.gz ALHUXUYKVRFVFJ-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399651 819084761 /nfs/dbraw/zinc/08/47/61/819084761.db2.gz ALHUXUYKVRFVFJ-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001235832190 819179830 /nfs/dbraw/zinc/17/98/30/819179830.db2.gz UCAZENKRORTGKQ-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001235832190 819179832 /nfs/dbraw/zinc/17/98/32/819179832.db2.gz UCAZENKRORTGKQ-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890654 819198999 /nfs/dbraw/zinc/19/89/99/819198999.db2.gz FRTXENKBXXMSKJ-GUYCJALGSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890654 819199000 /nfs/dbraw/zinc/19/90/00/819199000.db2.gz FRTXENKBXXMSKJ-GUYCJALGSA-N 2 2 258.409 3.266 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235924903 819223176 /nfs/dbraw/zinc/22/31/76/819223176.db2.gz BCFDCWCZEOSJBU-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235924903 819223182 /nfs/dbraw/zinc/22/31/82/819223182.db2.gz BCFDCWCZEOSJBU-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235947273 819236027 /nfs/dbraw/zinc/23/60/27/819236027.db2.gz HQPALYKHTRSJRN-UHFFFAOYSA-N 2 2 285.435 3.075 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235947273 819236033 /nfs/dbraw/zinc/23/60/33/819236033.db2.gz HQPALYKHTRSJRN-UHFFFAOYSA-N 2 2 285.435 3.075 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950615 819241922 /nfs/dbraw/zinc/24/19/22/819241922.db2.gz IPDJJGQZVFVFCM-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950615 819241928 /nfs/dbraw/zinc/24/19/28/819241928.db2.gz IPDJJGQZVFVFCM-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957436 819245204 /nfs/dbraw/zinc/24/52/04/819245204.db2.gz NYPASNWWAOTCRJ-AWEZNQCLSA-N 2 2 280.843 3.388 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235957436 819245212 /nfs/dbraw/zinc/24/52/12/819245212.db2.gz NYPASNWWAOTCRJ-AWEZNQCLSA-N 2 2 280.843 3.388 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235959991 819247128 /nfs/dbraw/zinc/24/71/28/819247128.db2.gz RCQJQYSYTDOMOS-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235959991 819247134 /nfs/dbraw/zinc/24/71/34/819247134.db2.gz RCQJQYSYTDOMOS-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990328 819261763 /nfs/dbraw/zinc/26/17/63/819261763.db2.gz LYODEDNKYHQGSI-VQTJNVASSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990328 819261767 /nfs/dbraw/zinc/26/17/67/819261767.db2.gz LYODEDNKYHQGSI-VQTJNVASSA-N 2 2 292.426 3.201 20 0 CGADLP CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236005890 819270846 /nfs/dbraw/zinc/27/08/46/819270846.db2.gz GEXUWCJHLLGYNH-INIZCTEOSA-N 2 2 290.451 3.393 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236005890 819270848 /nfs/dbraw/zinc/27/08/48/819270848.db2.gz GEXUWCJHLLGYNH-INIZCTEOSA-N 2 2 290.451 3.393 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001236004690 819270984 /nfs/dbraw/zinc/27/09/84/819270984.db2.gz IDADIKGOEOJNOV-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001236004690 819270988 /nfs/dbraw/zinc/27/09/88/819270988.db2.gz IDADIKGOEOJNOV-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236008687 819272516 /nfs/dbraw/zinc/27/25/16/819272516.db2.gz IOSZQLDVNFQVQP-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1C)[C@@H]1CCC[NH2+]C1 ZINC001236008687 819272522 /nfs/dbraw/zinc/27/25/22/819272522.db2.gz IOSZQLDVNFQVQP-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+](Cc1cccc2occc21)[C@H]1CCC[NH2+]C1 ZINC001236011722 819275166 /nfs/dbraw/zinc/27/51/66/819275166.db2.gz ZRUQAFDMGWIUJX-AWEZNQCLSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@@H+](Cc1cccc2occc21)[C@H]1CCC[NH2+]C1 ZINC001236011722 819275171 /nfs/dbraw/zinc/27/51/71/819275171.db2.gz ZRUQAFDMGWIUJX-AWEZNQCLSA-N 2 2 258.365 3.007 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061703 819294989 /nfs/dbraw/zinc/29/49/89/819294989.db2.gz WBDHURPHLWBYAV-KBPBESRZSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061703 819294992 /nfs/dbraw/zinc/29/49/92/819294992.db2.gz WBDHURPHLWBYAV-KBPBESRZSA-N 2 2 286.444 3.394 20 0 CGADLP C[N@@H+](Cc1cccc2sccc21)C[C@@H]1CCC[NH2+]1 ZINC001236122384 819330385 /nfs/dbraw/zinc/33/03/85/819330385.db2.gz RZGUPHKPNPVSMW-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+](Cc1cccc2sccc21)C[C@@H]1CCC[NH2+]1 ZINC001236122384 819330390 /nfs/dbraw/zinc/33/03/90/819330390.db2.gz RZGUPHKPNPVSMW-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC001236141020 819341244 /nfs/dbraw/zinc/34/12/44/819341244.db2.gz CYEMPPOSMVLHIB-UHFFFAOYSA-N 2 2 270.376 3.260 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Oc2ccccc2)cc1 ZINC001236141020 819341250 /nfs/dbraw/zinc/34/12/50/819341250.db2.gz CYEMPPOSMVLHIB-UHFFFAOYSA-N 2 2 270.376 3.260 20 0 CGADLP C[N@H+](Cc1cccc2c1CCCC2)[C@@]1(C)CCC[NH2+]C1 ZINC001236204993 819367718 /nfs/dbraw/zinc/36/77/18/819367718.db2.gz FBWGLSIPSNLYCG-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP C[N@@H+](Cc1cccc2c1CCCC2)[C@@]1(C)CCC[NH2+]C1 ZINC001236204993 819367722 /nfs/dbraw/zinc/36/77/22/819367722.db2.gz FBWGLSIPSNLYCG-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206346 819368475 /nfs/dbraw/zinc/36/84/75/819368475.db2.gz JWINVQAVIISNQS-GOSISDBHSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206346 819368478 /nfs/dbraw/zinc/36/84/78/819368478.db2.gz JWINVQAVIISNQS-GOSISDBHSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207080 819368724 /nfs/dbraw/zinc/36/87/24/819368724.db2.gz OFRCWOWMSXYUIG-GOSISDBHSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207080 819368728 /nfs/dbraw/zinc/36/87/28/819368728.db2.gz OFRCWOWMSXYUIG-GOSISDBHSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209794 819371347 /nfs/dbraw/zinc/37/13/47/819371347.db2.gz ZYSXDUFBVCQMND-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209794 819371349 /nfs/dbraw/zinc/37/13/49/819371349.db2.gz ZYSXDUFBVCQMND-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCCc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)s1 ZINC001236209696 819371599 /nfs/dbraw/zinc/37/15/99/819371599.db2.gz YRHRMOIZJGXBDZ-OAHLLOKOSA-N 2 2 266.454 3.275 20 0 CGADLP CCCc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)s1 ZINC001236209696 819371603 /nfs/dbraw/zinc/37/16/03/819371603.db2.gz YRHRMOIZJGXBDZ-OAHLLOKOSA-N 2 2 266.454 3.275 20 0 CGADLP C[N@H+](Cc1cccn1Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220841 819387818 /nfs/dbraw/zinc/38/78/18/819387818.db2.gz ZTSDHHHBELUBER-RBUKOAKNSA-N 2 2 297.446 3.238 20 0 CGADLP C[N@@H+](Cc1cccn1Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220841 819387821 /nfs/dbraw/zinc/38/78/21/819387821.db2.gz ZTSDHHHBELUBER-RBUKOAKNSA-N 2 2 297.446 3.238 20 0 CGADLP C[N@H+](Cc1cccn1Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220843 819388179 /nfs/dbraw/zinc/38/81/79/819388179.db2.gz ZTSDHHHBELUBER-RTBURBONSA-N 2 2 297.446 3.238 20 0 CGADLP C[N@@H+](Cc1cccn1Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220843 819388186 /nfs/dbraw/zinc/38/81/86/819388186.db2.gz ZTSDHHHBELUBER-RTBURBONSA-N 2 2 297.446 3.238 20 0 CGADLP Fc1cccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235454 819397047 /nfs/dbraw/zinc/39/70/47/819397047.db2.gz CHQSNMIDYHDFHU-AWEZNQCLSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1cccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235454 819397053 /nfs/dbraw/zinc/39/70/53/819397053.db2.gz CHQSNMIDYHDFHU-AWEZNQCLSA-N 2 2 287.382 3.023 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236243079 819401017 /nfs/dbraw/zinc/40/10/17/819401017.db2.gz BMFFIJIAMZNRJR-OLZOCXBDSA-N 2 2 296.842 3.447 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236243079 819401024 /nfs/dbraw/zinc/40/10/24/819401024.db2.gz BMFFIJIAMZNRJR-OLZOCXBDSA-N 2 2 296.842 3.447 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])s1 ZINC001236246388 819404376 /nfs/dbraw/zinc/40/43/76/819404376.db2.gz YXAZQSDLALKXBB-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])s1 ZINC001236246388 819404380 /nfs/dbraw/zinc/40/43/80/819404380.db2.gz YXAZQSDLALKXBB-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410344 819458189 /nfs/dbraw/zinc/45/81/89/819458189.db2.gz YZNRGIHKPJFBRM-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236410344 819458193 /nfs/dbraw/zinc/45/81/93/819458193.db2.gz YZNRGIHKPJFBRM-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP C[N@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413027 819458659 /nfs/dbraw/zinc/45/86/59/819458659.db2.gz NADJTBUSWNYIMS-JYAVWHMHSA-N 2 2 290.457 3.126 20 0 CGADLP C[N@@H+](Cc1ccc(-c2cccs2)s1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413027 819458661 /nfs/dbraw/zinc/45/86/61/819458661.db2.gz NADJTBUSWNYIMS-JYAVWHMHSA-N 2 2 290.457 3.126 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236417928 819463229 /nfs/dbraw/zinc/46/32/29/819463229.db2.gz FXQMWFJJMZJHPF-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236417928 819463233 /nfs/dbraw/zinc/46/32/33/819463233.db2.gz FXQMWFJJMZJHPF-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001236421156 819468120 /nfs/dbraw/zinc/46/81/20/819468120.db2.gz ALAJDLXQRQZVFG-CQSZACIVSA-N 2 2 289.810 3.072 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001236421156 819468123 /nfs/dbraw/zinc/46/81/23/819468123.db2.gz ALAJDLXQRQZVFG-CQSZACIVSA-N 2 2 289.810 3.072 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)sc2ccccc21 ZINC001236422391 819469586 /nfs/dbraw/zinc/46/95/86/819469586.db2.gz UEECCACYJDGGQT-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)sc2ccccc21 ZINC001236422391 819469589 /nfs/dbraw/zinc/46/95/89/819469589.db2.gz UEECCACYJDGGQT-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1c(-c2cccc(C[NH+](C)C)c2)ccc2[nH+]ccn21 ZINC001236425047 819471334 /nfs/dbraw/zinc/47/13/34/819471334.db2.gz DAWNWXJKTSQKRF-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434326 819476927 /nfs/dbraw/zinc/47/69/27/819476927.db2.gz QNNFNIYAMFIWJN-MFKMUULPSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434326 819476930 /nfs/dbraw/zinc/47/69/30/819476930.db2.gz QNNFNIYAMFIWJN-MFKMUULPSA-N 2 2 288.313 3.069 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468654 819489726 /nfs/dbraw/zinc/48/97/26/819489726.db2.gz KTMWMWDFZXBVRD-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468654 819489730 /nfs/dbraw/zinc/48/97/30/819489730.db2.gz KTMWMWDFZXBVRD-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)C[N@H+](Cc1cncc(C2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236478655 819495447 /nfs/dbraw/zinc/49/54/47/819495447.db2.gz KCGJKSLJHDQLNT-GOSISDBHSA-N 2 2 287.451 3.169 20 0 CGADLP CC(C)C[N@@H+](Cc1cncc(C2CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236478655 819495448 /nfs/dbraw/zinc/49/54/48/819495448.db2.gz KCGJKSLJHDQLNT-GOSISDBHSA-N 2 2 287.451 3.169 20 0 CGADLP Cc1c(F)ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1F ZINC001236602604 819549903 /nfs/dbraw/zinc/54/99/03/819549903.db2.gz YISMMXFTQQNMLU-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1c(F)ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1F ZINC001236602604 819549906 /nfs/dbraw/zinc/54/99/06/819549906.db2.gz YISMMXFTQQNMLU-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@H]2C1 ZINC001236854175 819622762 /nfs/dbraw/zinc/62/27/62/819622762.db2.gz GSFQUYKNQIFWSU-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP CC(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902834 819634639 /nfs/dbraw/zinc/63/46/39/819634639.db2.gz JJVUGVXXIDIOPC-UHFFFAOYSA-N 2 2 263.772 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902834 819634644 /nfs/dbraw/zinc/63/46/44/819634644.db2.gz JJVUGVXXIDIOPC-UHFFFAOYSA-N 2 2 263.772 3.366 20 0 CGADLP Cc1csc2sc(C[N@@H+](C)C[C@H](C)[NH3+])c(C)c12 ZINC001236899518 819635252 /nfs/dbraw/zinc/63/52/52/819635252.db2.gz KNIQSAHKBTUVAZ-VIFPVBQESA-N 2 2 268.451 3.359 20 0 CGADLP Cc1csc2sc(C[N@H+](C)C[C@H](C)[NH3+])c(C)c12 ZINC001236899518 819635255 /nfs/dbraw/zinc/63/52/55/819635255.db2.gz KNIQSAHKBTUVAZ-VIFPVBQESA-N 2 2 268.451 3.359 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001236910009 819636217 /nfs/dbraw/zinc/63/62/17/819636217.db2.gz ZBPLSECQZRRMGD-LBPRGKRZSA-N 2 2 290.357 3.411 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001236910009 819636219 /nfs/dbraw/zinc/63/62/19/819636219.db2.gz ZBPLSECQZRRMGD-LBPRGKRZSA-N 2 2 290.357 3.411 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CC1CCC(F)(F)CC1 ZINC001237020648 819645344 /nfs/dbraw/zinc/64/53/44/819645344.db2.gz URUQMQLRKMARNV-INIZCTEOSA-N 2 2 294.389 3.198 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CC1CCC(F)(F)CC1 ZINC001237020648 819645346 /nfs/dbraw/zinc/64/53/46/819645346.db2.gz URUQMQLRKMARNV-INIZCTEOSA-N 2 2 294.389 3.198 20 0 CGADLP CC[N@H+](Cc1cc(O)cc2ccccc21)C1CC[NH+](C)CC1 ZINC001237069148 819658723 /nfs/dbraw/zinc/65/87/23/819658723.db2.gz RCESLSKMHCULCF-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC[N@@H+](Cc1cc(O)cc2ccccc21)C1CC[NH+](C)CC1 ZINC001237069148 819658726 /nfs/dbraw/zinc/65/87/26/819658726.db2.gz RCESLSKMHCULCF-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203678 819698074 /nfs/dbraw/zinc/69/80/74/819698074.db2.gz KADVTWHDHKFOAI-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203678 819698078 /nfs/dbraw/zinc/69/80/78/819698078.db2.gz KADVTWHDHKFOAI-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(F)cc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001237326607 819728194 /nfs/dbraw/zinc/72/81/94/819728194.db2.gz RVJDLSOGZBHXQF-UHFFFAOYSA-N 2 2 287.382 3.476 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+](CC)CCC[NH+](C)C ZINC001237907553 819878008 /nfs/dbraw/zinc/87/80/08/819878008.db2.gz BIIHIZAGGFYEAD-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+](CC)CCC[NH+](C)C ZINC001237907553 819878018 /nfs/dbraw/zinc/87/80/18/819878018.db2.gz BIIHIZAGGFYEAD-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239631529 820476371 /nfs/dbraw/zinc/47/63/71/820476371.db2.gz GOSWAOQYIBERPB-IBGZPJMESA-N 2 2 294.398 3.089 20 0 CGADLP CC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239631529 820476374 /nfs/dbraw/zinc/47/63/74/820476374.db2.gz GOSWAOQYIBERPB-IBGZPJMESA-N 2 2 294.398 3.089 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1[nH+]ccc2[nH]ccc21 ZINC001239680137 820515674 /nfs/dbraw/zinc/51/56/74/820515674.db2.gz KOPKQPDDCKWJSY-UHFFFAOYSA-N 2 2 251.333 3.292 20 0 CGADLP Cc1cc(F)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239741574 820564720 /nfs/dbraw/zinc/56/47/20/820564720.db2.gz ICVREZVOBHBKMP-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239741574 820564727 /nfs/dbraw/zinc/56/47/27/820564727.db2.gz ICVREZVOBHBKMP-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP CCc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239744710 820567089 /nfs/dbraw/zinc/56/70/89/820567089.db2.gz GDYFPRMGFCHJIE-KRWDZBQOSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239744710 820567095 /nfs/dbraw/zinc/56/70/95/820567095.db2.gz GDYFPRMGFCHJIE-KRWDZBQOSA-N 2 2 280.415 3.449 20 0 CGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)s1 ZINC001240430339 821050114 /nfs/dbraw/zinc/05/01/14/821050114.db2.gz PCIAVNBSJKAZBS-UHFFFAOYSA-N 2 2 283.400 3.366 20 0 CGADLP CNc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001241507534 821907309 /nfs/dbraw/zinc/90/73/09/821907309.db2.gz XPDDRPDCBALASB-UHFFFAOYSA-N 2 2 279.387 3.413 20 0 CGADLP CNc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001241507534 821907314 /nfs/dbraw/zinc/90/73/14/821907314.db2.gz XPDDRPDCBALASB-UHFFFAOYSA-N 2 2 279.387 3.413 20 0 CGADLP Cc1cscc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241732094 822111223 /nfs/dbraw/zinc/11/12/23/822111223.db2.gz HOHJWCKOKIRXHJ-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cscc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241732094 822111228 /nfs/dbraw/zinc/11/12/28/822111228.db2.gz HOHJWCKOKIRXHJ-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP C/C(=C\C=C\[NH3+])c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001241759233 822130343 /nfs/dbraw/zinc/13/03/43/822130343.db2.gz OLEVDYPEGXIPOT-BEORVZHCSA-N 2 2 286.419 3.427 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001242077521 822336882 /nfs/dbraw/zinc/33/68/82/822336882.db2.gz DWXBIRDSWDMGEK-INIZCTEOSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001242077521 822336894 /nfs/dbraw/zinc/33/68/94/822336894.db2.gz DWXBIRDSWDMGEK-INIZCTEOSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(-c2cccc(C[NH+]3CCCC3)c2)c[nH+]c1N ZINC001242122557 822885340 /nfs/dbraw/zinc/88/53/40/822885340.db2.gz OFXBRZLZPYUURM-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP Cc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001242239645 822922857 /nfs/dbraw/zinc/92/28/57/822922857.db2.gz JYBWZKOLRXIFEW-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CCCC(F)(F)F ZINC001343207385 936491128 /nfs/dbraw/zinc/49/11/28/936491128.db2.gz ZGICQUFFYDBAFL-GFCCVEGCSA-N 2 2 266.351 3.039 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC001350553279 936994855 /nfs/dbraw/zinc/99/48/55/936994855.db2.gz OPNQFFRAGJJWOI-DLBZAZTESA-N 2 2 274.452 3.390 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC(C)(F)F)C1 ZINC001351160855 937009938 /nfs/dbraw/zinc/00/99/38/937009938.db2.gz AYPNRLAGFHCYLX-CYBMUJFWSA-N 2 2 285.382 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC001351160855 937009939 /nfs/dbraw/zinc/00/99/39/937009939.db2.gz AYPNRLAGFHCYLX-CYBMUJFWSA-N 2 2 285.382 3.110 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647774 937538516 /nfs/dbraw/zinc/53/85/16/937538516.db2.gz AYSAZFOEUFDKAC-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647774 937538518 /nfs/dbraw/zinc/53/85/18/937538518.db2.gz AYSAZFOEUFDKAC-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647774 937538519 /nfs/dbraw/zinc/53/85/19/937538519.db2.gz AYSAZFOEUFDKAC-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647774 937538521 /nfs/dbraw/zinc/53/85/21/937538521.db2.gz AYSAZFOEUFDKAC-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001117572404 931941561 /nfs/dbraw/zinc/94/15/61/931941561.db2.gz HWWUPFSUSMOLNV-ROUUACIJSA-N 2 2 287.451 3.285 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163468625 932002861 /nfs/dbraw/zinc/00/28/61/932002861.db2.gz VZAOQXHAHGXVNC-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163468625 932002865 /nfs/dbraw/zinc/00/28/65/932002865.db2.gz VZAOQXHAHGXVNC-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001308264425 933085381 /nfs/dbraw/zinc/08/53/81/933085381.db2.gz MFTHDNUCRDAEJE-LJQANCHMSA-N 2 2 286.463 3.398 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001308264425 933085390 /nfs/dbraw/zinc/08/53/90/933085390.db2.gz MFTHDNUCRDAEJE-LJQANCHMSA-N 2 2 286.463 3.398 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321731 933095136 /nfs/dbraw/zinc/09/51/36/933095136.db2.gz FYECQRPLDRVDDF-LIRRHRJNSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321731 933095141 /nfs/dbraw/zinc/09/51/41/933095141.db2.gz FYECQRPLDRVDDF-LIRRHRJNSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975248 933217384 /nfs/dbraw/zinc/21/73/84/933217384.db2.gz SDKQBUBVVGIGAU-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975248 933217387 /nfs/dbraw/zinc/21/73/87/933217387.db2.gz SDKQBUBVVGIGAU-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP COc1c(C)c[nH+]c(CNc2cc[nH+]c3ccccc23)c1C ZINC001318408353 933720513 /nfs/dbraw/zinc/72/05/13/933720513.db2.gz HGDRUYGUQLWOQX-UHFFFAOYSA-N 2 2 293.370 3.289 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474744228 933977189 /nfs/dbraw/zinc/97/71/89/933977189.db2.gz DGCQYTGNUWGYER-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474744228 933977194 /nfs/dbraw/zinc/97/71/94/933977194.db2.gz DGCQYTGNUWGYER-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP Fc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001320051408 933988285 /nfs/dbraw/zinc/98/82/85/933988285.db2.gz IWOBRLCWEKQFTD-BLLLJJGKSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1cccc2c1CC[C@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001320051408 933988292 /nfs/dbraw/zinc/98/82/92/933988292.db2.gz IWOBRLCWEKQFTD-BLLLJJGKSA-N 2 2 285.366 3.416 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC001325715312 934924661 /nfs/dbraw/zinc/92/46/61/934924661.db2.gz AOJQVQDGSIEFEZ-FZMZJTMJSA-N 2 2 268.351 3.244 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001325718331 934924939 /nfs/dbraw/zinc/92/49/39/934924939.db2.gz RSOQOVOUIWQKSF-RULNRJAQSA-N 2 2 270.779 3.270 20 0 CGADLP CCn1c[nH+]c2c1CCN(c1c(C)c[nH+]c3ccccc31)C2 ZINC001335560959 936152577 /nfs/dbraw/zinc/15/25/77/936152577.db2.gz OVTUMJDNBTWDHK-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842619 937824699 /nfs/dbraw/zinc/82/46/99/937824699.db2.gz SBPAYCDEFBGUIV-CJNGLKHVSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842619 937824701 /nfs/dbraw/zinc/82/47/01/937824701.db2.gz SBPAYCDEFBGUIV-CJNGLKHVSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842619 937824702 /nfs/dbraw/zinc/82/47/02/937824702.db2.gz SBPAYCDEFBGUIV-CJNGLKHVSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842619 937824704 /nfs/dbraw/zinc/82/47/04/937824704.db2.gz SBPAYCDEFBGUIV-CJNGLKHVSA-N 2 2 278.827 3.032 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001473928327 937830903 /nfs/dbraw/zinc/83/09/03/937830903.db2.gz XTTKFMCAFUHXET-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)(C[NH2+]CC[N@@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001474295038 937848766 /nfs/dbraw/zinc/84/87/66/937848766.db2.gz WQHYDRBKZMFSKM-UHFFFAOYSA-N 2 2 274.452 3.286 20 0 CGADLP CC(C)(C[NH2+]CC[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC001474295038 937848767 /nfs/dbraw/zinc/84/87/67/937848767.db2.gz WQHYDRBKZMFSKM-UHFFFAOYSA-N 2 2 274.452 3.286 20 0 CGADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745758 937878601 /nfs/dbraw/zinc/87/86/01/937878601.db2.gz IEUYJOUAXDXXTH-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745758 937878602 /nfs/dbraw/zinc/87/86/02/937878602.db2.gz IEUYJOUAXDXXTH-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC001474756077 937879102 /nfs/dbraw/zinc/87/91/02/937879102.db2.gz YQXIQMZNKPSWOB-IHWYPQMZSA-N 2 2 299.393 3.452 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549042301 938154677 /nfs/dbraw/zinc/15/46/77/938154677.db2.gz ZCHRCTMMOSTDBJ-BVGQSLNGSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549042301 938154678 /nfs/dbraw/zinc/15/46/78/938154678.db2.gz ZCHRCTMMOSTDBJ-BVGQSLNGSA-N 2 2 284.378 3.313 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001550244037 938164766 /nfs/dbraw/zinc/16/47/66/938164766.db2.gz QPLGQGKHZIXXBP-INDMIFKZSA-N 2 2 296.389 3.108 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001550244037 938164767 /nfs/dbraw/zinc/16/47/67/938164767.db2.gz QPLGQGKHZIXXBP-INDMIFKZSA-N 2 2 296.389 3.108 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC001550298465 938165009 /nfs/dbraw/zinc/16/50/09/938165009.db2.gz RORCOBOFEFROSC-UYZDIKGJSA-N 2 2 299.393 3.452 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001550298465 938165010 /nfs/dbraw/zinc/16/50/10/938165010.db2.gz RORCOBOFEFROSC-UYZDIKGJSA-N 2 2 299.393 3.452 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@@H]1[NH3+])CCC2 ZINC001551377824 938180716 /nfs/dbraw/zinc/18/07/16/938180716.db2.gz KTOFKTOXUUWONH-OAGGEKHMSA-N 2 2 299.443 3.043 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)O[C@H](C)C1 ZINC001551396761 938181597 /nfs/dbraw/zinc/18/15/97/938181597.db2.gz STISCAWAMHNZNJ-QAPCUYQASA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)O[C@H](C)C1 ZINC001551396761 938181598 /nfs/dbraw/zinc/18/15/98/938181598.db2.gz STISCAWAMHNZNJ-QAPCUYQASA-N 2 2 299.418 3.044 20 0 CGADLP Cc1cccn2c(CNc3ccc([C@H]4C[C@@H]4[NH3+])cc3)c[nH+]c12 ZINC001553857628 938201021 /nfs/dbraw/zinc/20/10/21/938201021.db2.gz CJJXLRLUFMQUME-SJORKVTESA-N 2 2 292.386 3.069 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560044099 938242684 /nfs/dbraw/zinc/24/26/84/938242684.db2.gz UMPRZOSKLVDUTH-IAGOWNOFSA-N 2 2 292.854 3.422 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001560291637 938251148 /nfs/dbraw/zinc/25/11/48/938251148.db2.gz AGKVKAXWBDSCDZ-DOTOQJQBSA-N 2 2 299.418 3.167 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001560805993 938276651 /nfs/dbraw/zinc/27/66/51/938276651.db2.gz PDJSXAPJZBBMEO-MSOLQXFVSA-N 2 2 286.463 3.254 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001560805993 938276652 /nfs/dbraw/zinc/27/66/52/938276652.db2.gz PDJSXAPJZBBMEO-MSOLQXFVSA-N 2 2 286.463 3.254 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001560927700 938284332 /nfs/dbraw/zinc/28/43/32/938284332.db2.gz YQBVJRNDGFPJEI-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001560927700 938284333 /nfs/dbraw/zinc/28/43/33/938284333.db2.gz YQBVJRNDGFPJEI-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP COCC[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccco1 ZINC001579005527 960481112 /nfs/dbraw/zinc/48/11/12/960481112.db2.gz RFKYBKDWGXTOLE-UONOGXRCSA-N 2 2 282.428 3.100 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)[C@H]1C[NH3+] ZINC001576704128 962480829 /nfs/dbraw/zinc/48/08/29/962480829.db2.gz LQJBSSJPLUZPJR-ZACQAIPSSA-N 2 2 294.483 3.318 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)[C@H]1C[NH3+] ZINC001576704128 962480841 /nfs/dbraw/zinc/48/08/41/962480841.db2.gz LQJBSSJPLUZPJR-ZACQAIPSSA-N 2 2 294.483 3.318 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001576912413 962493859 /nfs/dbraw/zinc/49/38/59/962493859.db2.gz BERCRQRCAXHCKO-ZENOOKHLSA-N 2 2 276.424 3.252 20 0 CGADLP CC[C@H](OCC[N@H+](CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184719 962514231 /nfs/dbraw/zinc/51/42/31/962514231.db2.gz OQFAFHFHHUMVJL-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@H](OCC[N@@H+](CC)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184719 962514241 /nfs/dbraw/zinc/51/42/41/962514241.db2.gz OQFAFHFHHUMVJL-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCCC[C@@H]([NH3+])C3)cc2c1 ZINC001579257339 962622414 /nfs/dbraw/zinc/62/24/14/962622414.db2.gz CBVSPSRGPQDLRN-CQSZACIVSA-N 2 2 288.391 3.145 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCCC[C@@H]([NH3+])C3)cc2c1 ZINC001579257339 962622424 /nfs/dbraw/zinc/62/24/24/962622424.db2.gz CBVSPSRGPQDLRN-CQSZACIVSA-N 2 2 288.391 3.145 20 0 CGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC001579551495 962642007 /nfs/dbraw/zinc/64/20/07/962642007.db2.gz MESUTHICZCUNFU-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC001579551495 962642016 /nfs/dbraw/zinc/64/20/16/962642016.db2.gz MESUTHICZCUNFU-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)cc[nH+]1 ZINC000621298881 349491882 /nfs/dbraw/zinc/49/18/82/349491882.db2.gz NGJMCWYMGSIQIT-RYUDHWBXSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337488211 214115683 /nfs/dbraw/zinc/11/56/83/214115683.db2.gz KCUKUDLRPGFWOZ-WFASDCNBSA-N 2 2 275.783 3.061 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000037786194 260164166 /nfs/dbraw/zinc/16/41/66/260164166.db2.gz QABFHJHMRQIBEO-GFCCVEGCSA-N 2 2 250.386 3.193 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651715832 398274083 /nfs/dbraw/zinc/27/40/83/398274083.db2.gz AHSBRHSXFFZKLB-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651735068 398278069 /nfs/dbraw/zinc/27/80/69/398278069.db2.gz FHUPGPMWGIXEGR-LUYZLQTOSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651735068 398278072 /nfs/dbraw/zinc/27/80/72/398278072.db2.gz FHUPGPMWGIXEGR-LUYZLQTOSA-N 2 2 250.430 3.170 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+][C@H]3CC[NH2+]C3)CCC2)cc1 ZINC000622043457 349623464 /nfs/dbraw/zinc/62/34/64/349623464.db2.gz BDOFMNYRCAISBJ-ZDUSSCGKSA-N 2 2 284.325 3.036 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651828404 398294702 /nfs/dbraw/zinc/29/47/02/398294702.db2.gz HIAFFCLNILLSPN-ZDUSSCGKSA-N 2 2 293.773 3.032 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C[N@@H+]1C1CC1 ZINC000337991047 214347155 /nfs/dbraw/zinc/34/71/55/214347155.db2.gz VWDBXIBRCZORKA-HGTKMLMNSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C[N@H+]1C1CC1 ZINC000337991047 214347157 /nfs/dbraw/zinc/34/71/57/214347157.db2.gz VWDBXIBRCZORKA-HGTKMLMNSA-N 2 2 268.420 3.120 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652060702 398321581 /nfs/dbraw/zinc/32/15/81/398321581.db2.gz DBNMAPMTHXGMNZ-ZDUSSCGKSA-N 2 2 287.382 3.204 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652060702 398321584 /nfs/dbraw/zinc/32/15/84/398321584.db2.gz DBNMAPMTHXGMNZ-ZDUSSCGKSA-N 2 2 287.382 3.204 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423462148 529453230 /nfs/dbraw/zinc/45/32/30/529453230.db2.gz KLDUHDIDEWIYTD-BQBZGAKWSA-N 2 2 267.225 3.443 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000423461038 529453377 /nfs/dbraw/zinc/45/33/77/529453377.db2.gz JGANNCBICQEIGK-SCZZXKLOSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H](F)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000440518472 529437394 /nfs/dbraw/zinc/43/73/94/529437394.db2.gz KMXYVCRFZXQYCN-AWEZNQCLSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414216764 529473120 /nfs/dbraw/zinc/47/31/20/529473120.db2.gz XDAFCQMAKQVNSS-XKQJLSEDSA-N 2 2 285.391 3.090 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423478425 529567597 /nfs/dbraw/zinc/56/75/97/529567597.db2.gz UOICWOBDVSKKIQ-WCBMZHEXSA-N 2 2 292.757 3.329 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423455778 529569117 /nfs/dbraw/zinc/56/91/17/529569117.db2.gz CVAJAMXSBSHKSH-VXGBXAGGSA-N 2 2 276.380 3.138 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000423271049 529611584 /nfs/dbraw/zinc/61/15/84/529611584.db2.gz IQFOAUPRNHVSTR-OLZOCXBDSA-N 2 2 286.366 3.312 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000623089559 349758673 /nfs/dbraw/zinc/75/86/73/349758673.db2.gz MFVIAGPHRYYIGV-UHFFFAOYSA-N 2 2 296.352 3.131 20 0 CGADLP CC(C)C(C[NH2+]CC1CC[NH+](CC(F)F)CC1)C(C)C ZINC000623089487 349758746 /nfs/dbraw/zinc/75/87/46/349758746.db2.gz JUYHWWPTWLCIOQ-UHFFFAOYSA-N 2 2 290.442 3.481 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414077881 529630473 /nfs/dbraw/zinc/63/04/73/529630473.db2.gz ZQDWQBWOVPOXHD-OLMNPRSZSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423499813 529617032 /nfs/dbraw/zinc/61/70/32/529617032.db2.gz JXMHQHQURTYIEM-BLLLJJGKSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423322649 529619275 /nfs/dbraw/zinc/61/92/75/529619275.db2.gz OBRWIQXOHMXTHR-KBPBESRZSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358371800 529672786 /nfs/dbraw/zinc/67/27/86/529672786.db2.gz AJAMPJDQTCHLGU-UGFHNGPFSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358371800 529672788 /nfs/dbraw/zinc/67/27/88/529672788.db2.gz AJAMPJDQTCHLGU-UGFHNGPFSA-N 2 2 266.816 3.331 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000358508950 529678213 /nfs/dbraw/zinc/67/82/13/529678213.db2.gz PNVYMSAFTMKVQQ-CYBMUJFWSA-N 2 2 280.375 3.143 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c[nH+]1 ZINC000591866891 346942675 /nfs/dbraw/zinc/94/26/75/346942675.db2.gz INXVUKLPRIQMMU-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c[nH+]1 ZINC000591866891 346942677 /nfs/dbraw/zinc/94/26/77/346942677.db2.gz INXVUKLPRIQMMU-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP CC[C@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000350809413 136378696 /nfs/dbraw/zinc/37/86/96/136378696.db2.gz DLJTXQHFJFPUQK-AWEZNQCLSA-N 2 2 290.455 3.077 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC000623495924 349820050 /nfs/dbraw/zinc/82/00/50/349820050.db2.gz ANSMVSZUEMFAJV-ZDUSSCGKSA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC1(C)C ZINC000623495924 349820053 /nfs/dbraw/zinc/82/00/53/349820053.db2.gz ANSMVSZUEMFAJV-ZDUSSCGKSA-N 2 2 284.806 3.442 20 0 CGADLP CC(C)c1cc(N(C)CC[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000351560364 219126861 /nfs/dbraw/zinc/12/68/61/219126861.db2.gz BTWPKPAAJJLHMC-UHFFFAOYSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(N(C)CC[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000351560364 219126863 /nfs/dbraw/zinc/12/68/63/219126863.db2.gz BTWPKPAAJJLHMC-UHFFFAOYSA-N 2 2 290.455 3.254 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCCC1 ZINC000177240795 529982317 /nfs/dbraw/zinc/98/23/17/529982317.db2.gz FQPKZBMKNLRSER-UHFFFAOYSA-N 2 2 284.407 3.422 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCCC1 ZINC000177240795 529982319 /nfs/dbraw/zinc/98/23/19/529982319.db2.gz FQPKZBMKNLRSER-UHFFFAOYSA-N 2 2 284.407 3.422 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1sccc1Br ZINC000037213747 344948940 /nfs/dbraw/zinc/94/89/40/344948940.db2.gz RSSSVPXOEKWDNX-SECBINFHSA-N 2 2 291.258 3.113 20 0 CGADLP c1cn([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)c[nH+]1 ZINC000623937067 349922170 /nfs/dbraw/zinc/92/21/70/349922170.db2.gz SSYHIDVNWPXFJZ-OAHLLOKOSA-N 2 2 278.359 3.273 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188356 345243897 /nfs/dbraw/zinc/24/38/97/345243897.db2.gz GLGQDIDZXJBEMW-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188356 345243901 /nfs/dbraw/zinc/24/39/01/345243901.db2.gz GLGQDIDZXJBEMW-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP c1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188599 345244161 /nfs/dbraw/zinc/24/41/61/345244161.db2.gz QDELCNDZTPZUJM-ZWKOTPCHSA-N 2 2 272.436 3.226 20 0 CGADLP c1ccc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188599 345244163 /nfs/dbraw/zinc/24/41/63/345244163.db2.gz QDELCNDZTPZUJM-ZWKOTPCHSA-N 2 2 272.436 3.226 20 0 CGADLP CC[N@@H+](Cc1ccon1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154934 345536712 /nfs/dbraw/zinc/53/67/12/345536712.db2.gz RPRGJPPBPPHOOH-KRWDZBQOSA-N 2 2 299.418 3.019 20 0 CGADLP CC[N@H+](Cc1ccon1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154934 345536713 /nfs/dbraw/zinc/53/67/13/345536713.db2.gz RPRGJPPBPPHOOH-KRWDZBQOSA-N 2 2 299.418 3.019 20 0 CGADLP CC[NH+](Cc1ccon1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154934 345536714 /nfs/dbraw/zinc/53/67/14/345536714.db2.gz RPRGJPPBPPHOOH-KRWDZBQOSA-N 2 2 299.418 3.019 20 0 CGADLP CC[NH+](Cc1ccon1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154934 345536716 /nfs/dbraw/zinc/53/67/16/345536716.db2.gz RPRGJPPBPPHOOH-KRWDZBQOSA-N 2 2 299.418 3.019 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133462354 232198962 /nfs/dbraw/zinc/19/89/62/232198962.db2.gz OGMSXUNJXQRBLJ-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133462354 232198967 /nfs/dbraw/zinc/19/89/67/232198967.db2.gz OGMSXUNJXQRBLJ-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP Fc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000076851689 345553191 /nfs/dbraw/zinc/55/31/91/345553191.db2.gz VLARFQYUEQEOGG-UHFFFAOYSA-N 2 2 285.366 3.297 20 0 CGADLP Cc1nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000078265199 345597591 /nfs/dbraw/zinc/59/75/91/345597591.db2.gz SJMXGULPRQEMRQ-CQSZACIVSA-N 2 2 296.418 3.423 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCCO1 ZINC000623977315 349934170 /nfs/dbraw/zinc/93/41/70/349934170.db2.gz MXXDAEJHZVGDRI-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCCO1 ZINC000623977315 349934174 /nfs/dbraw/zinc/93/41/74/349934174.db2.gz MXXDAEJHZVGDRI-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000080338517 345671504 /nfs/dbraw/zinc/67/15/04/345671504.db2.gz TVWZYDJVBUPHMJ-DOTOQJQBSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000080338517 345671507 /nfs/dbraw/zinc/67/15/07/345671507.db2.gz TVWZYDJVBUPHMJ-DOTOQJQBSA-N 2 2 284.403 3.422 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccco1 ZINC000080777765 345687382 /nfs/dbraw/zinc/68/73/82/345687382.db2.gz SBZZZLRZGOXAQZ-LBPRGKRZSA-N 2 2 288.395 3.082 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000090046811 345778544 /nfs/dbraw/zinc/77/85/44/345778544.db2.gz ODCDFHNGKABSNR-ZIAGYGMSSA-N 2 2 296.842 3.101 20 0 CGADLP CC(C)c1cc(NCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000090066835 345780113 /nfs/dbraw/zinc/78/01/13/345780113.db2.gz NNWSXNKUVJLQOL-UHFFFAOYSA-N 2 2 273.384 3.032 20 0 CGADLP CCCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000090402171 345787334 /nfs/dbraw/zinc/78/73/34/345787334.db2.gz TUXRKWGSDOPLJH-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253489 345833693 /nfs/dbraw/zinc/83/36/93/345833693.db2.gz IWTBPYGPSPUARA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253489 345833698 /nfs/dbraw/zinc/83/36/98/345833698.db2.gz IWTBPYGPSPUARA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253489 345833700 /nfs/dbraw/zinc/83/37/00/345833700.db2.gz IWTBPYGPSPUARA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253489 345833704 /nfs/dbraw/zinc/83/37/04/345833704.db2.gz IWTBPYGPSPUARA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865843 345890363 /nfs/dbraw/zinc/89/03/63/345890363.db2.gz ZECYQXCRVSARRZ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865843 345890367 /nfs/dbraw/zinc/89/03/67/345890367.db2.gz ZECYQXCRVSARRZ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC000093178602 345871637 /nfs/dbraw/zinc/87/16/37/345871637.db2.gz KJAKKXAOPOHGOJ-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@H+]1C ZINC000093178602 345871639 /nfs/dbraw/zinc/87/16/39/345871639.db2.gz KJAKKXAOPOHGOJ-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178602 345871641 /nfs/dbraw/zinc/87/16/41/345871641.db2.gz KJAKKXAOPOHGOJ-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178602 345871642 /nfs/dbraw/zinc/87/16/42/345871642.db2.gz KJAKKXAOPOHGOJ-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000093644971 345884391 /nfs/dbraw/zinc/88/43/91/345884391.db2.gz XKRQRBHUCWLSCM-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000093644971 345884395 /nfs/dbraw/zinc/88/43/95/345884395.db2.gz XKRQRBHUCWLSCM-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000093644971 345884399 /nfs/dbraw/zinc/88/43/99/345884399.db2.gz XKRQRBHUCWLSCM-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000093644971 345884400 /nfs/dbraw/zinc/88/44/00/345884400.db2.gz XKRQRBHUCWLSCM-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP CC(C)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545152 345913092 /nfs/dbraw/zinc/91/30/92/345913092.db2.gz ZRNOLQGBTKHBIR-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP CC(C)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545152 345913095 /nfs/dbraw/zinc/91/30/95/345913095.db2.gz ZRNOLQGBTKHBIR-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000117276972 345982966 /nfs/dbraw/zinc/98/29/66/345982966.db2.gz RMBYFCPUBQFBOI-ZDUSSCGKSA-N 2 2 273.207 3.479 20 0 CGADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000117276972 345982969 /nfs/dbraw/zinc/98/29/69/345982969.db2.gz RMBYFCPUBQFBOI-ZDUSSCGKSA-N 2 2 273.207 3.479 20 0 CGADLP CCn1cccc1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406010104 346603934 /nfs/dbraw/zinc/60/39/34/346603934.db2.gz ROVFUUUMMZADIR-LJQANCHMSA-N 2 2 297.446 3.262 20 0 CGADLP CCn1cccc1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406010104 346603937 /nfs/dbraw/zinc/60/39/37/346603937.db2.gz ROVFUUUMMZADIR-LJQANCHMSA-N 2 2 297.446 3.262 20 0 CGADLP CCSC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000594986929 347250271 /nfs/dbraw/zinc/25/02/71/347250271.db2.gz NRLWGGSKVQLKPM-UHFFFAOYSA-N 2 2 293.461 3.309 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)CSCCF)[NH+](C)C)cc1 ZINC000595016087 347258196 /nfs/dbraw/zinc/25/81/96/347258196.db2.gz PSUXXWFNACGHHE-ZBFHGGJFSA-N 2 2 298.471 3.279 20 0 CGADLP C[N@H+](CCCCF)C(C)(C)C[NH+]1CCCCCC1 ZINC000351824972 219218327 /nfs/dbraw/zinc/21/83/27/219218327.db2.gz UVACVWRVBGAFDB-UHFFFAOYSA-N 2 2 258.425 3.323 20 0 CGADLP C[N@@H+](CCCCF)C(C)(C)C[NH+]1CCCCCC1 ZINC000351824972 219218330 /nfs/dbraw/zinc/21/83/30/219218330.db2.gz UVACVWRVBGAFDB-UHFFFAOYSA-N 2 2 258.425 3.323 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)c[nH+]1 ZINC000607729391 348259196 /nfs/dbraw/zinc/25/91/96/348259196.db2.gz XRCFBUAMSZCYFM-KRWDZBQOSA-N 2 2 299.418 3.379 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)c[nH+]1 ZINC000607729391 348259200 /nfs/dbraw/zinc/25/92/00/348259200.db2.gz XRCFBUAMSZCYFM-KRWDZBQOSA-N 2 2 299.418 3.379 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189045 349996694 /nfs/dbraw/zinc/99/66/94/349996694.db2.gz UYWKWFSQZMZPON-HIFRSBDPSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189045 349996696 /nfs/dbraw/zinc/99/66/96/349996696.db2.gz UYWKWFSQZMZPON-HIFRSBDPSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189046 349996804 /nfs/dbraw/zinc/99/68/04/349996804.db2.gz UYWKWFSQZMZPON-UKRRQHHQSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189046 349996808 /nfs/dbraw/zinc/99/68/08/349996808.db2.gz UYWKWFSQZMZPON-UKRRQHHQSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000034935744 290228355 /nfs/dbraw/zinc/22/83/55/290228355.db2.gz RIGOXUVHHBYMKG-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000034935744 290228358 /nfs/dbraw/zinc/22/83/58/290228358.db2.gz RIGOXUVHHBYMKG-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246347169 290229132 /nfs/dbraw/zinc/22/91/32/290229132.db2.gz ITVFLCGVIWWRIF-NEPJUHHUSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246347169 290229139 /nfs/dbraw/zinc/22/91/39/290229139.db2.gz ITVFLCGVIWWRIF-NEPJUHHUSA-N 2 2 284.806 3.424 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625268620 350149496 /nfs/dbraw/zinc/14/94/96/350149496.db2.gz PYHYZDWUWLFRPT-HUUCEWRRSA-N 2 2 263.429 3.426 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625268620 350149498 /nfs/dbraw/zinc/14/94/98/350149498.db2.gz PYHYZDWUWLFRPT-HUUCEWRRSA-N 2 2 263.429 3.426 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000628195906 350435207 /nfs/dbraw/zinc/43/52/07/350435207.db2.gz SEPNPRLQAKESDX-MRXNPFEDSA-N 2 2 298.434 3.372 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000628195906 350435211 /nfs/dbraw/zinc/43/52/11/350435211.db2.gz SEPNPRLQAKESDX-MRXNPFEDSA-N 2 2 298.434 3.372 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@@]1(C)CCCS1)Cc1ccccc1 ZINC000628199826 350437062 /nfs/dbraw/zinc/43/70/62/350437062.db2.gz KCDWHVMLEYEJJH-IAGOWNOFSA-N 2 2 292.492 3.035 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000628233641 350455328 /nfs/dbraw/zinc/45/53/28/350455328.db2.gz NOWOASNMIULXNC-HOTGVXAUSA-N 2 2 260.425 3.030 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000628233641 350455331 /nfs/dbraw/zinc/45/53/31/350455331.db2.gz NOWOASNMIULXNC-HOTGVXAUSA-N 2 2 260.425 3.030 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628208432 350439986 /nfs/dbraw/zinc/43/99/86/350439986.db2.gz NBSSEELACKZSPR-CYBMUJFWSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628208432 350439990 /nfs/dbraw/zinc/43/99/90/350439990.db2.gz NBSSEELACKZSPR-CYBMUJFWSA-N 2 2 282.378 3.142 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000629525762 350702451 /nfs/dbraw/zinc/70/24/51/350702451.db2.gz BAZYQWGCXKWHMF-SOUVJXGZSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000629527131 350703261 /nfs/dbraw/zinc/70/32/61/350703261.db2.gz LASVCYZHGDRKCG-BBWFWOEESA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C[NH2+]1 ZINC000629536622 350705515 /nfs/dbraw/zinc/70/55/15/350705515.db2.gz IDTQYNPGXOAESH-DGFSRKRXSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537674 350705804 /nfs/dbraw/zinc/70/58/04/350705804.db2.gz LSPQSMQCQLUCQF-NTZNESFSSA-N 2 2 284.350 3.079 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C(C)C)cc1 ZINC000629542879 350708323 /nfs/dbraw/zinc/70/83/23/350708323.db2.gz OCEJOQUUXPMFHR-JLJPHGGASA-N 2 2 276.424 3.122 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000629545249 350709331 /nfs/dbraw/zinc/70/93/31/350709331.db2.gz AUFOAOBMCGRPOM-QWQRMKEZSA-N 2 2 281.403 3.150 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000629545662 350709410 /nfs/dbraw/zinc/70/94/10/350709410.db2.gz NXGPUYZRPLTTDC-IIYDPXPESA-N 2 2 254.377 3.241 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C[NH2+]1 ZINC000629393839 350687753 /nfs/dbraw/zinc/68/77/53/350687753.db2.gz CPFUZOPHCFZHLJ-SUMWQHHRSA-N 2 2 254.377 3.070 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)oc2cc1C ZINC000629410089 350690217 /nfs/dbraw/zinc/69/02/17/350690217.db2.gz FBVRHMVKCADFFK-UKRRQHHQSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)s2)C[NH2+]1 ZINC000629413628 350690731 /nfs/dbraw/zinc/69/07/31/350690731.db2.gz NHXJWLAFQTZGPO-VXGBXAGGSA-N 2 2 266.454 3.276 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(OC(F)F)cc1 ZINC000629524371 350701415 /nfs/dbraw/zinc/70/14/15/350701415.db2.gz PVUFJHBPBITBOX-SOUVJXGZSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@@H]1Cc2ccc(-c3ccc(N4CCCC4)[nH+]c3)cc2C[NH2+]1 ZINC000629708842 350747844 /nfs/dbraw/zinc/74/78/44/350747844.db2.gz BPYWZOKHDKVKNC-CQSZACIVSA-N 2 2 293.414 3.383 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000629650971 350730380 /nfs/dbraw/zinc/73/03/80/350730380.db2.gz DUWPTLSXPAXLQE-HNNXBMFYSA-N 2 2 276.449 3.173 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659811 350732108 /nfs/dbraw/zinc/73/21/08/350732108.db2.gz HVFZSSQVZYREKR-RISCZKNCSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000631141743 350967702 /nfs/dbraw/zinc/96/77/02/350967702.db2.gz WNLRZTGGMIAINA-VGOKWCNXSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000631141743 350967708 /nfs/dbraw/zinc/96/77/08/350967708.db2.gz WNLRZTGGMIAINA-VGOKWCNXSA-N 2 2 295.430 3.495 20 0 CGADLP Clc1c2ccccc2oc1C[NH2+]CCC[NH+]1CCC1 ZINC000631103021 350954615 /nfs/dbraw/zinc/95/46/15/350954615.db2.gz FCZRXIDRSPHWAC-UHFFFAOYSA-N 2 2 278.783 3.272 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000631572917 351071375 /nfs/dbraw/zinc/07/13/75/351071375.db2.gz OKMOZUDRMCIXDC-HOCLYGCPSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000631572917 351071378 /nfs/dbraw/zinc/07/13/78/351071378.db2.gz OKMOZUDRMCIXDC-HOCLYGCPSA-N 2 2 285.435 3.173 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000631622190 351093414 /nfs/dbraw/zinc/09/34/14/351093414.db2.gz NLMJVKMWQULRSE-MAUKXSAKSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000631622190 351093416 /nfs/dbraw/zinc/09/34/16/351093416.db2.gz NLMJVKMWQULRSE-MAUKXSAKSA-N 2 2 285.435 3.066 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000631835159 351149462 /nfs/dbraw/zinc/14/94/62/351149462.db2.gz NVTJJZSQQPOMCJ-ZDUSSCGKSA-N 2 2 289.448 3.042 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000631835159 351149466 /nfs/dbraw/zinc/14/94/66/351149466.db2.gz NVTJJZSQQPOMCJ-ZDUSSCGKSA-N 2 2 289.448 3.042 20 0 CGADLP CC[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000634993598 351619194 /nfs/dbraw/zinc/61/91/94/351619194.db2.gz ZJTCQVYXVCYGJS-TXLGJMDYSA-N 2 2 284.447 3.254 20 0 CGADLP CC[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000634993598 351619196 /nfs/dbraw/zinc/61/91/96/351619196.db2.gz ZJTCQVYXVCYGJS-TXLGJMDYSA-N 2 2 284.447 3.254 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994032 187064268 /nfs/dbraw/zinc/06/42/68/187064268.db2.gz LZXOXWWJMVTJAA-HUBLWGQQSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994032 187064269 /nfs/dbraw/zinc/06/42/69/187064269.db2.gz LZXOXWWJMVTJAA-HUBLWGQQSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000123549777 187097914 /nfs/dbraw/zinc/09/79/14/187097914.db2.gz VYJGZKULDUPPBI-TZMCWYRMSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000123549777 187097915 /nfs/dbraw/zinc/09/79/15/187097915.db2.gz VYJGZKULDUPPBI-TZMCWYRMSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123549777 187097916 /nfs/dbraw/zinc/09/79/16/187097916.db2.gz VYJGZKULDUPPBI-TZMCWYRMSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123549777 187097917 /nfs/dbraw/zinc/09/79/17/187097917.db2.gz VYJGZKULDUPPBI-TZMCWYRMSA-N 2 2 266.816 3.255 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065858 198151062 /nfs/dbraw/zinc/15/10/62/198151062.db2.gz DAFFZHSHKNCBSQ-INIZCTEOSA-N 2 2 280.362 3.152 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065858 198151064 /nfs/dbraw/zinc/15/10/64/198151064.db2.gz DAFFZHSHKNCBSQ-INIZCTEOSA-N 2 2 280.362 3.152 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065858 198151066 /nfs/dbraw/zinc/15/10/66/198151066.db2.gz DAFFZHSHKNCBSQ-INIZCTEOSA-N 2 2 280.362 3.152 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065858 198151069 /nfs/dbraw/zinc/15/10/69/198151069.db2.gz DAFFZHSHKNCBSQ-INIZCTEOSA-N 2 2 280.362 3.152 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123278 198171934 /nfs/dbraw/zinc/17/19/34/198171934.db2.gz KMDMULMECZVDGO-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123278 198171936 /nfs/dbraw/zinc/17/19/36/198171936.db2.gz KMDMULMECZVDGO-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123278 198171937 /nfs/dbraw/zinc/17/19/37/198171937.db2.gz KMDMULMECZVDGO-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123278 198171939 /nfs/dbraw/zinc/17/19/39/198171939.db2.gz KMDMULMECZVDGO-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP Clc1cccc2c(N3CC[NH+]4CCC3CC4)cc[nH+]c12 ZINC000367808535 234253777 /nfs/dbraw/zinc/25/37/77/234253777.db2.gz HSNSURKDNAODBF-UHFFFAOYSA-N 2 2 287.794 3.173 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000295165827 199383489 /nfs/dbraw/zinc/38/34/89/199383489.db2.gz SSHWUVWXLWPYNS-DLBZAZTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000295165827 199383491 /nfs/dbraw/zinc/38/34/91/199383491.db2.gz SSHWUVWXLWPYNS-DLBZAZTESA-N 2 2 288.410 3.420 20 0 CGADLP CC(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000155711470 188223421 /nfs/dbraw/zinc/22/34/21/188223421.db2.gz RNAGLNSOUMEXHW-ZDUSSCGKSA-N 2 2 263.410 3.322 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000156420267 188261582 /nfs/dbraw/zinc/26/15/82/188261582.db2.gz MQGXFODGFIWMCI-DOMZBBRYSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000156420267 188261583 /nfs/dbraw/zinc/26/15/83/188261583.db2.gz MQGXFODGFIWMCI-DOMZBBRYSA-N 2 2 291.345 3.244 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000156814095 188282758 /nfs/dbraw/zinc/28/27/58/188282758.db2.gz BBSZJCRVXMIMJG-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000156814095 188282759 /nfs/dbraw/zinc/28/27/59/188282759.db2.gz BBSZJCRVXMIMJG-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC000412020653 235104290 /nfs/dbraw/zinc/10/42/90/235104290.db2.gz JQSKCWUGXCLPSM-OAHLLOKOSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340356178 215550936 /nfs/dbraw/zinc/55/09/36/215550936.db2.gz NZPGBBUIQDFKGU-GUYCJALGSA-N 2 2 281.403 3.426 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000120545045 291084697 /nfs/dbraw/zinc/08/46/97/291084697.db2.gz ZPZRVMAVLYHNGA-CAEXGNQWSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000120545045 291084699 /nfs/dbraw/zinc/08/46/99/291084699.db2.gz ZPZRVMAVLYHNGA-CAEXGNQWSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2ccccc2o1 ZINC000419299840 235691082 /nfs/dbraw/zinc/69/10/82/235691082.db2.gz ZSOXETCMEUOSJX-CYBMUJFWSA-N 2 2 299.418 3.495 20 0 CGADLP CC[N@H+](C)[C@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357107 138357898 /nfs/dbraw/zinc/35/78/98/138357898.db2.gz NJXMURVZOUACGQ-INIZCTEOSA-N 2 2 283.375 3.022 20 0 CGADLP CC[N@@H+](C)[C@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357107 138357899 /nfs/dbraw/zinc/35/78/99/138357899.db2.gz NJXMURVZOUACGQ-INIZCTEOSA-N 2 2 283.375 3.022 20 0 CGADLP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000124539465 138375721 /nfs/dbraw/zinc/37/57/21/138375721.db2.gz PMKRPYAPTJYJEN-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000124539465 138375722 /nfs/dbraw/zinc/37/57/22/138375722.db2.gz PMKRPYAPTJYJEN-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000128506601 138393899 /nfs/dbraw/zinc/39/38/99/138393899.db2.gz QSECFDXBEZAHPR-INIZCTEOSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000128506601 138393901 /nfs/dbraw/zinc/39/39/01/138393901.db2.gz QSECFDXBEZAHPR-INIZCTEOSA-N 2 2 287.407 3.147 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423001074 235954776 /nfs/dbraw/zinc/95/47/76/235954776.db2.gz DDCFPGOIWUFXQN-IMJJTQAJSA-N 2 2 294.439 3.176 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc2cc1C ZINC000423229293 236003085 /nfs/dbraw/zinc/00/30/85/236003085.db2.gz AQHZLEQWBKRPDQ-HIFRSBDPSA-N 2 2 272.392 3.452 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423231245 236003832 /nfs/dbraw/zinc/00/38/32/236003832.db2.gz ANZRKUPGYZHQCK-MSOLQXFVSA-N 2 2 284.378 3.493 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000423238662 236005441 /nfs/dbraw/zinc/00/54/41/236005441.db2.gz ALPUWAFCEHMARP-SWLSCSKDSA-N 2 2 260.406 3.407 20 0 CGADLP Clc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423241661 236006148 /nfs/dbraw/zinc/00/61/48/236006148.db2.gz VCCPDZNFXCKIKP-CABCVRRESA-N 2 2 264.800 3.133 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423253318 236009936 /nfs/dbraw/zinc/00/99/36/236009936.db2.gz YZJXHPNIRFRPPB-RBUKOAKNSA-N 2 2 296.414 3.362 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)o1 ZINC000423254032 236010066 /nfs/dbraw/zinc/01/00/66/236010066.db2.gz ZPOCEWCVIWANEE-MLGOLLRUSA-N 2 2 258.365 3.247 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(C2CC2)c1 ZINC000423375914 236055205 /nfs/dbraw/zinc/05/52/05/236055205.db2.gz YBQCRTNJKZHYND-IGCXYCKISA-N 2 2 258.409 3.213 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)oc1C ZINC000423507179 236089859 /nfs/dbraw/zinc/08/98/59/236089859.db2.gz PTLJYCORPYRHAC-BXUZGUMPSA-N 2 2 250.386 3.065 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423542835 236095969 /nfs/dbraw/zinc/09/59/69/236095969.db2.gz BDORNWBYWMIOHG-FZMZJTMJSA-N 2 2 252.789 3.133 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423559827 236099109 /nfs/dbraw/zinc/09/91/09/236099109.db2.gz PHTSTHDNODHERL-AAEUAGOBSA-N 2 2 282.815 3.141 20 0 CGADLP Cc1cc(NC(=O)C(C)(C)C[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423917669 236112019 /nfs/dbraw/zinc/11/20/19/236112019.db2.gz YJGUEQBWCOOICO-UHFFFAOYSA-N 2 2 299.374 3.106 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424381089 236158810 /nfs/dbraw/zinc/15/88/10/236158810.db2.gz YFESTQPYUCUSCA-QZHFEQFPSA-N 2 2 298.405 3.172 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422933521 299267314 /nfs/dbraw/zinc/26/73/14/299267314.db2.gz DQXQTABVFSUOIV-WFASDCNBSA-N 2 2 278.827 3.449 20 0 CGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424726977 236184597 /nfs/dbraw/zinc/18/45/97/236184597.db2.gz UXLWYNCMVQROBF-UHFFFAOYSA-N 2 2 297.406 3.176 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425549623 236259574 /nfs/dbraw/zinc/25/95/74/236259574.db2.gz YFPLXASLZWESBQ-KRWDZBQOSA-N 2 2 283.419 3.436 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425549623 236259575 /nfs/dbraw/zinc/25/95/75/236259575.db2.gz YFPLXASLZWESBQ-KRWDZBQOSA-N 2 2 283.419 3.436 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427120131 236323373 /nfs/dbraw/zinc/32/33/73/236323373.db2.gz QCTNXGMBZJGSLY-FZMZJTMJSA-N 2 2 290.794 3.270 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427120131 236323374 /nfs/dbraw/zinc/32/33/74/236323374.db2.gz QCTNXGMBZJGSLY-FZMZJTMJSA-N 2 2 290.794 3.270 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000294637651 199117011 /nfs/dbraw/zinc/11/70/11/199117011.db2.gz PRNNMZNPKNCCFX-IVSAIRAKSA-N 2 2 299.418 3.479 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccncc1Cl)C[NH+]1CCCC1 ZINC000421822632 295972474 /nfs/dbraw/zinc/97/24/74/295972474.db2.gz XMVITMCDICNIFK-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000436408606 237098041 /nfs/dbraw/zinc/09/80/41/237098041.db2.gz JCBBCWNUIPWYNY-OKZBNKHCSA-N 2 2 295.430 3.199 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000437073962 237242639 /nfs/dbraw/zinc/24/26/39/237242639.db2.gz FZGLXPKXEOAPNQ-SJORKVTESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@@H+]1C ZINC000297444226 200192507 /nfs/dbraw/zinc/19/25/07/200192507.db2.gz WJUREJVFIFQWTL-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@H+]1C ZINC000297444226 200192508 /nfs/dbraw/zinc/19/25/08/200192508.db2.gz WJUREJVFIFQWTL-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297871333 200296340 /nfs/dbraw/zinc/29/63/40/200296340.db2.gz PTPBGRRBYGYEGG-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297871333 200296341 /nfs/dbraw/zinc/29/63/41/200296341.db2.gz PTPBGRRBYGYEGG-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000178300572 189105396 /nfs/dbraw/zinc/10/53/96/189105396.db2.gz BHBQLTMLJCTBJN-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccsc1 ZINC000178343806 189108856 /nfs/dbraw/zinc/10/88/56/189108856.db2.gz IEPNXSZGYBLRNH-GFCCVEGCSA-N 2 2 261.394 3.296 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178449313 189117764 /nfs/dbraw/zinc/11/77/64/189117764.db2.gz QYPKJRIGERWUTC-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178449313 189117765 /nfs/dbraw/zinc/11/77/65/189117765.db2.gz QYPKJRIGERWUTC-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000336406254 296020225 /nfs/dbraw/zinc/02/02/25/296020225.db2.gz WTDSMXCWOXGKHC-WBMJQRKESA-N 2 2 257.381 3.042 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000336406254 296020228 /nfs/dbraw/zinc/02/02/28/296020228.db2.gz WTDSMXCWOXGKHC-WBMJQRKESA-N 2 2 257.381 3.042 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1N(C)C ZINC000179415928 189192499 /nfs/dbraw/zinc/19/24/99/189192499.db2.gz ZQNDXPMMZRTCOR-OAHLLOKOSA-N 2 2 298.434 3.300 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)nc1 ZINC000181374156 189294913 /nfs/dbraw/zinc/29/49/13/189294913.db2.gz WXMOVRCRWRBSRS-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000182595092 189328787 /nfs/dbraw/zinc/32/87/87/189328787.db2.gz VVPRDRVDTNKPKN-BMFZPTHFSA-N 2 2 261.413 3.101 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956789 189340503 /nfs/dbraw/zinc/34/05/03/189340503.db2.gz GMJWUMCCOJDTIH-CKEIUWERSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956789 189340504 /nfs/dbraw/zinc/34/05/04/189340504.db2.gz GMJWUMCCOJDTIH-CKEIUWERSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182956789 189340505 /nfs/dbraw/zinc/34/05/05/189340505.db2.gz GMJWUMCCOJDTIH-CKEIUWERSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182956789 189340506 /nfs/dbraw/zinc/34/05/06/189340506.db2.gz GMJWUMCCOJDTIH-CKEIUWERSA-N 2 2 287.451 3.210 20 0 CGADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000183179384 189349337 /nfs/dbraw/zinc/34/93/37/189349337.db2.gz BZDWUTIZHMCVSG-UHFFFAOYSA-N 2 2 287.382 3.325 20 0 CGADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000183179384 189349338 /nfs/dbraw/zinc/34/93/38/189349338.db2.gz BZDWUTIZHMCVSG-UHFFFAOYSA-N 2 2 287.382 3.325 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000183564869 189362508 /nfs/dbraw/zinc/36/25/08/189362508.db2.gz YFPLMTHPRUWYHE-MRXNPFEDSA-N 2 2 298.434 3.009 20 0 CGADLP CC(C)c1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301879098 201246263 /nfs/dbraw/zinc/24/62/63/201246263.db2.gz UTPOIVFGDZYBOS-AWEZNQCLSA-N 2 2 290.455 3.111 20 0 CGADLP Clc1ccc([C@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000449061399 239148715 /nfs/dbraw/zinc/14/87/15/239148715.db2.gz ILVFHCOEMGFWMV-HOCLYGCPSA-N 2 2 289.810 3.462 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076871 201334298 /nfs/dbraw/zinc/33/42/98/201334298.db2.gz HKIGJUOGFJOGMB-SJLPKXTDSA-N 2 2 296.418 3.205 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076871 201334301 /nfs/dbraw/zinc/33/43/01/201334301.db2.gz HKIGJUOGFJOGMB-SJLPKXTDSA-N 2 2 296.418 3.205 20 0 CGADLP Cc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000302077568 201334439 /nfs/dbraw/zinc/33/44/39/201334439.db2.gz HVCPGVOIEPLHBB-LBPRGKRZSA-N 2 2 290.455 3.052 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000449135079 239197812 /nfs/dbraw/zinc/19/78/12/239197812.db2.gz NFTXYJWRWSLEHH-ZIAGYGMSSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000449135079 239197816 /nfs/dbraw/zinc/19/78/16/239197816.db2.gz NFTXYJWRWSLEHH-ZIAGYGMSSA-N 2 2 286.419 3.436 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120019674 370731441 /nfs/dbraw/zinc/73/14/41/370731441.db2.gz NSNNSSNNPYXUAU-SWLSCSKDSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000120019674 370731446 /nfs/dbraw/zinc/73/14/46/370731446.db2.gz NSNNSSNNPYXUAU-SWLSCSKDSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1cc(NCCCc2[nH+]cccc2C)nc(C(C)C)[nH+]1 ZINC000450722457 240051601 /nfs/dbraw/zinc/05/16/01/240051601.db2.gz BUHVONFEFQBXGI-UHFFFAOYSA-N 2 2 284.407 3.078 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000342873420 216587526 /nfs/dbraw/zinc/58/75/26/216587526.db2.gz IXVGDMZQPGLCEK-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000342873420 216587529 /nfs/dbraw/zinc/58/75/29/216587529.db2.gz IXVGDMZQPGLCEK-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578047 212288744 /nfs/dbraw/zinc/28/87/44/212288744.db2.gz WGSUYKZLFVRWRF-NWDGAFQWSA-N 2 2 269.339 3.025 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578047 212288745 /nfs/dbraw/zinc/28/87/45/212288745.db2.gz WGSUYKZLFVRWRF-NWDGAFQWSA-N 2 2 269.339 3.025 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000451963788 240388683 /nfs/dbraw/zinc/38/86/83/240388683.db2.gz AAFJKYABSQOPSE-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000451963788 240388686 /nfs/dbraw/zinc/38/86/86/240388686.db2.gz AAFJKYABSQOPSE-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000275412969 193026657 /nfs/dbraw/zinc/02/66/57/193026657.db2.gz BGUCNYGFBJCUTE-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000275412969 193026660 /nfs/dbraw/zinc/02/66/60/193026660.db2.gz BGUCNYGFBJCUTE-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)Cn1cc[nH+]c1 ZINC000459379983 242095494 /nfs/dbraw/zinc/09/54/94/242095494.db2.gz AJZHPHJGUGZZOI-CQSZACIVSA-N 2 2 269.392 3.186 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)CC12CCCCC2 ZINC000459398869 242098772 /nfs/dbraw/zinc/09/87/72/242098772.db2.gz IZHYVETYTWLWLC-HNNXBMFYSA-N 2 2 275.440 3.255 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC12CCCCC2 ZINC000459398869 242098774 /nfs/dbraw/zinc/09/87/74/242098774.db2.gz IZHYVETYTWLWLC-HNNXBMFYSA-N 2 2 275.440 3.255 20 0 CGADLP CCC1(C)C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000459636876 242157457 /nfs/dbraw/zinc/15/74/57/242157457.db2.gz RNWFQLGKFLHQBI-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP CCC1(C)C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000459636876 242157463 /nfs/dbraw/zinc/15/74/63/242157463.db2.gz RNWFQLGKFLHQBI-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459762171 242217096 /nfs/dbraw/zinc/21/70/96/242217096.db2.gz BEBZVUNKUUTQQT-JLSDUUJJSA-N 2 2 281.403 3.459 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C2CC2)c1 ZINC000482097302 243216358 /nfs/dbraw/zinc/21/63/58/243216358.db2.gz RJMXQDOLXNJXKA-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C2CC2)c1 ZINC000482097302 243216361 /nfs/dbraw/zinc/21/63/61/243216361.db2.gz RJMXQDOLXNJXKA-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000481108029 243178634 /nfs/dbraw/zinc/17/86/34/243178634.db2.gz BAIGLLREEANAGJ-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000481108029 243178641 /nfs/dbraw/zinc/17/86/41/243178641.db2.gz BAIGLLREEANAGJ-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000481241382 243184072 /nfs/dbraw/zinc/18/40/72/243184072.db2.gz KONOFWFTWKVRLW-QGZVFWFLSA-N 2 2 262.441 3.103 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000481241382 243184075 /nfs/dbraw/zinc/18/40/75/243184075.db2.gz KONOFWFTWKVRLW-QGZVFWFLSA-N 2 2 262.441 3.103 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489358 212164751 /nfs/dbraw/zinc/16/47/51/212164751.db2.gz ULYVQCMXFJOWPK-LLVKDONJSA-N 2 2 282.790 3.368 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482641293 243236728 /nfs/dbraw/zinc/23/67/28/243236728.db2.gz KMTJRKKICWJGDS-DLTWYDFYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482641293 243236730 /nfs/dbraw/zinc/23/67/30/243236730.db2.gz KMTJRKKICWJGDS-DLTWYDFYSA-N 2 2 264.457 3.418 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842680 369033063 /nfs/dbraw/zinc/03/30/63/369033063.db2.gz WWABUEWDODVWAJ-PREGVCBESA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842680 369033079 /nfs/dbraw/zinc/03/30/79/369033079.db2.gz WWABUEWDODVWAJ-PREGVCBESA-N 2 2 276.399 3.146 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC000036921930 369038638 /nfs/dbraw/zinc/03/86/38/369038638.db2.gz YRUNZDLVPFDMHV-HLVVYCRESA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC000036921930 369038645 /nfs/dbraw/zinc/03/86/45/369038645.db2.gz YRUNZDLVPFDMHV-HLVVYCRESA-N 2 2 280.362 3.241 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932128 369039798 /nfs/dbraw/zinc/03/97/98/369039798.db2.gz WLMUPYWSSHPSNH-KGLIPLIRSA-N 2 2 261.413 3.075 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932187 369039996 /nfs/dbraw/zinc/03/99/96/369039996.db2.gz LBDSQRURYZXOBR-HNNXBMFYSA-N 2 2 275.440 3.465 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000034993522 368986833 /nfs/dbraw/zinc/98/68/33/368986833.db2.gz RUWDHFCEMHEHKY-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000037157447 369072821 /nfs/dbraw/zinc/07/28/21/369072821.db2.gz HITBEWCDZFRWRL-LSDHHAIUSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000037157480 369073069 /nfs/dbraw/zinc/07/30/69/369073069.db2.gz XLXVKBTWDNUYOB-STQMWFEESA-N 2 2 269.348 3.369 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000037084583 369059381 /nfs/dbraw/zinc/05/93/81/369059381.db2.gz VGNRORZTVIXKGH-GFCCVEGCSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)cc1 ZINC000423354564 299396426 /nfs/dbraw/zinc/39/64/26/299396426.db2.gz CYEZJQXFCJUETB-UHIISALHSA-N 2 2 297.240 3.098 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000037786372 369113149 /nfs/dbraw/zinc/11/31/49/369113149.db2.gz VPTCFLQRDQBMGY-UHFFFAOYSA-N 2 2 282.378 3.317 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000423361789 299397081 /nfs/dbraw/zinc/39/70/81/299397081.db2.gz MOZBXGCBIWVPQO-ISTVAULSSA-N 2 2 270.779 3.128 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000041063995 369170408 /nfs/dbraw/zinc/17/04/08/369170408.db2.gz APNUAQWKKNBKBN-CWJHNBGESA-N 2 2 273.424 3.078 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684737 369265833 /nfs/dbraw/zinc/26/58/33/369265833.db2.gz IZUNILLLCQWFGV-DOTOQJQBSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684737 369265842 /nfs/dbraw/zinc/26/58/42/369265842.db2.gz IZUNILLLCQWFGV-DOTOQJQBSA-N 2 2 258.409 3.272 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494402658 244286049 /nfs/dbraw/zinc/28/60/49/244286049.db2.gz FSOUNXXSLCHNNV-WBVHZDCISA-N 2 2 283.419 3.056 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)CC1CCCCC1 ZINC000494390672 244286544 /nfs/dbraw/zinc/28/65/44/244286544.db2.gz HBCMAFXOQMNPRL-GOEBONIOSA-N 2 2 275.440 3.394 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000049538773 369408113 /nfs/dbraw/zinc/40/81/13/369408113.db2.gz RHNOIGJAQQKGAT-QMTHXVAHSA-N 2 2 275.421 3.111 20 0 CGADLP C[C@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000050163975 369430733 /nfs/dbraw/zinc/43/07/33/369430733.db2.gz TXHBWWVTLLZEAU-JSGCOSHPSA-N 2 2 255.365 3.035 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000067500503 369719007 /nfs/dbraw/zinc/71/90/07/369719007.db2.gz ZZHKWCRQFSUBTA-LBPRGKRZSA-N 2 2 297.324 3.328 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000070149506 369782549 /nfs/dbraw/zinc/78/25/49/369782549.db2.gz XLVLFPYFZFHAJS-MRXNPFEDSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000070149506 369782557 /nfs/dbraw/zinc/78/25/57/369782557.db2.gz XLVLFPYFZFHAJS-MRXNPFEDSA-N 2 2 285.391 3.045 20 0 CGADLP CCOC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072977465 369846717 /nfs/dbraw/zinc/84/67/17/369846717.db2.gz BGEVHUKHRUIXGW-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP CCOC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072977465 369846721 /nfs/dbraw/zinc/84/67/21/369846721.db2.gz BGEVHUKHRUIXGW-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000087472348 370027330 /nfs/dbraw/zinc/02/73/30/370027330.db2.gz FQWHCTNGQOVKGS-LLVKDONJSA-N 2 2 285.229 3.051 20 0 CGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000087472348 370027334 /nfs/dbraw/zinc/02/73/34/370027334.db2.gz FQWHCTNGQOVKGS-LLVKDONJSA-N 2 2 285.229 3.051 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C12CCCCC2 ZINC000087300609 370027522 /nfs/dbraw/zinc/02/75/22/370027522.db2.gz GGTFDEBLZOLGRQ-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C12CCCCC2 ZINC000087300609 370027525 /nfs/dbraw/zinc/02/75/25/370027525.db2.gz GGTFDEBLZOLGRQ-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425494 370042518 /nfs/dbraw/zinc/04/25/18/370042518.db2.gz UPCIYFKHZVWPNJ-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089425494 370042520 /nfs/dbraw/zinc/04/25/20/370042520.db2.gz UPCIYFKHZVWPNJ-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089425494 370042521 /nfs/dbraw/zinc/04/25/21/370042521.db2.gz UPCIYFKHZVWPNJ-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089425494 370042523 /nfs/dbraw/zinc/04/25/23/370042523.db2.gz UPCIYFKHZVWPNJ-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090219601 370059534 /nfs/dbraw/zinc/05/95/34/370059534.db2.gz NXAQQESDNHZGAL-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090219601 370059538 /nfs/dbraw/zinc/05/95/38/370059538.db2.gz NXAQQESDNHZGAL-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)s1 ZINC000091892429 370076592 /nfs/dbraw/zinc/07/65/92/370076592.db2.gz QYCBXSWXYXROSD-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)s1 ZINC000091892429 370076596 /nfs/dbraw/zinc/07/65/96/370076596.db2.gz QYCBXSWXYXROSD-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)s1 ZINC000091892429 370076601 /nfs/dbraw/zinc/07/66/01/370076601.db2.gz QYCBXSWXYXROSD-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)s1 ZINC000091892429 370076607 /nfs/dbraw/zinc/07/66/07/370076607.db2.gz QYCBXSWXYXROSD-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000093109646 370110831 /nfs/dbraw/zinc/11/08/31/370110831.db2.gz WPYGHGHSUMQWKJ-HUUCEWRRSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644708 370153459 /nfs/dbraw/zinc/15/34/59/370153459.db2.gz PWHSTAMEZUBBHA-QWHCGFSZSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644708 370153464 /nfs/dbraw/zinc/15/34/64/370153464.db2.gz PWHSTAMEZUBBHA-QWHCGFSZSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644708 370153467 /nfs/dbraw/zinc/15/34/67/370153467.db2.gz PWHSTAMEZUBBHA-QWHCGFSZSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644708 370153473 /nfs/dbraw/zinc/15/34/73/370153473.db2.gz PWHSTAMEZUBBHA-QWHCGFSZSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795815 370366366 /nfs/dbraw/zinc/36/63/66/370366366.db2.gz XSWRWMANTXCQJR-CYBMUJFWSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512024423 245013788 /nfs/dbraw/zinc/01/37/88/245013788.db2.gz NHQHAKONYYVRLS-HZARRAJXSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512024423 245013793 /nfs/dbraw/zinc/01/37/93/245013793.db2.gz NHQHAKONYYVRLS-HZARRAJXSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423024225 296163004 /nfs/dbraw/zinc/16/30/04/296163004.db2.gz IRSQVPKXXWXEDA-UGFHNGPFSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423024027 296163058 /nfs/dbraw/zinc/16/30/58/296163058.db2.gz IKGWJXVNUHWYSH-UGFHNGPFSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000130067723 371010052 /nfs/dbraw/zinc/01/00/52/371010052.db2.gz XCMBBPJGCWWUGF-LALPHHSUSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000130067723 371010055 /nfs/dbraw/zinc/01/00/55/371010055.db2.gz XCMBBPJGCWWUGF-LALPHHSUSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000131471584 371111328 /nfs/dbraw/zinc/11/13/28/371111328.db2.gz MELZWPNDJUFVOA-RDJZCZTQSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000131471584 371111333 /nfs/dbraw/zinc/11/13/33/371111333.db2.gz MELZWPNDJUFVOA-RDJZCZTQSA-N 2 2 269.392 3.009 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCC[NH+](CC)CC)o1 ZINC000131474557 371111353 /nfs/dbraw/zinc/11/13/53/371111353.db2.gz GUDAAAQVMNWCLC-CYBMUJFWSA-N 2 2 252.402 3.225 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236097 371160512 /nfs/dbraw/zinc/16/05/12/371160512.db2.gz LJMJFRWZUONTDN-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236097 371160519 /nfs/dbraw/zinc/16/05/19/371160519.db2.gz LJMJFRWZUONTDN-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000133133136 371230575 /nfs/dbraw/zinc/23/05/75/371230575.db2.gz AEHZOVCZAXPFEK-UHFFFAOYSA-N 2 2 289.766 3.463 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC3CCSCC3)cc2)c[nH+]1 ZINC000134610423 371354237 /nfs/dbraw/zinc/35/42/37/371354237.db2.gz GRTXNVBSPBFSES-UHFFFAOYSA-N 2 2 287.432 3.105 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1c(Cl)cccc1OC ZINC000134778251 371363945 /nfs/dbraw/zinc/36/39/45/371363945.db2.gz DRTQZXVOWUBPNM-UHFFFAOYSA-N 2 2 284.831 3.170 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522741 371513979 /nfs/dbraw/zinc/51/39/79/371513979.db2.gz NHQHAKONYYVRLS-MJDZOSPASA-N 2 2 292.373 3.050 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522741 371513987 /nfs/dbraw/zinc/51/39/87/371513987.db2.gz NHQHAKONYYVRLS-MJDZOSPASA-N 2 2 292.373 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000149714206 371529491 /nfs/dbraw/zinc/52/94/91/371529491.db2.gz XAWDUKWJSYXJJT-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000149714206 371529493 /nfs/dbraw/zinc/52/94/93/371529493.db2.gz XAWDUKWJSYXJJT-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1cccnc1 ZINC000287293877 371634960 /nfs/dbraw/zinc/63/49/60/371634960.db2.gz KGLDSNFNSNPYBO-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccnc1 ZINC000287293877 371634967 /nfs/dbraw/zinc/63/49/67/371634967.db2.gz KGLDSNFNSNPYBO-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000151958280 371658155 /nfs/dbraw/zinc/65/81/55/371658155.db2.gz PFQNJYHYVKCZTB-JTQLQIEISA-N 2 2 290.329 3.029 20 0 CGADLP COC1([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000421837320 371659645 /nfs/dbraw/zinc/65/96/45/371659645.db2.gz SCOIPCXPRRBYBD-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1Br ZINC000151967972 371660157 /nfs/dbraw/zinc/66/01/57/371660157.db2.gz VVJSADPPPVDSGJ-CQSZACIVSA-N 2 2 299.256 3.442 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000422727421 371769609 /nfs/dbraw/zinc/76/96/09/371769609.db2.gz HKTPNHVEIPDMAE-KBPBESRZSA-N 2 2 252.789 3.090 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000422731893 371772911 /nfs/dbraw/zinc/77/29/11/371772911.db2.gz OFPLZMSLSYOSMY-SUMWQHHRSA-N 2 2 288.822 3.388 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337330617 214010589 /nfs/dbraw/zinc/01/05/89/214010589.db2.gz GVFQTMBSXHHCIB-CGTJXYLNSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337330617 214010592 /nfs/dbraw/zinc/01/05/92/214010592.db2.gz GVFQTMBSXHHCIB-CGTJXYLNSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)Cn1cc[nH+]c1 ZINC000337329789 214010978 /nfs/dbraw/zinc/01/09/78/214010978.db2.gz FXPMNYINKUYZMQ-JFIYKMOQSA-N 2 2 298.434 3.230 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000422754204 371787761 /nfs/dbraw/zinc/78/77/61/371787761.db2.gz GRUUHVRIVBGYFG-HUUCEWRRSA-N 3 2 286.423 3.040 20 0 CGADLP Cc1ccc(SCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422775081 371799116 /nfs/dbraw/zinc/79/91/16/371799116.db2.gz ZUHDNDNIXMDHAZ-HOCLYGCPSA-N 2 2 278.465 3.207 20 0 CGADLP CC[C@@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000337381321 214043145 /nfs/dbraw/zinc/04/31/45/214043145.db2.gz DEBLORWJTXQVDB-WBVHZDCISA-N 2 2 269.392 3.107 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000289954900 371861289 /nfs/dbraw/zinc/86/12/89/371861289.db2.gz BAHOCOUDQVKPFA-QGZVFWFLSA-N 2 2 288.435 3.404 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000154603866 371861467 /nfs/dbraw/zinc/86/14/67/371861467.db2.gz TYQVRQGXONKJJS-ZQIUZPCESA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000154603866 371861474 /nfs/dbraw/zinc/86/14/74/371861474.db2.gz TYQVRQGXONKJJS-ZQIUZPCESA-N 2 2 258.409 3.309 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916655 371867646 /nfs/dbraw/zinc/86/76/46/371867646.db2.gz BHGPMRMCPQCSAA-MAZHCROVSA-N 2 2 296.842 3.148 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078084 217040021 /nfs/dbraw/zinc/04/00/21/217040021.db2.gz XBXYHBAQJCKEDY-KDOFPFPSSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078084 217040023 /nfs/dbraw/zinc/04/00/23/217040023.db2.gz XBXYHBAQJCKEDY-KDOFPFPSSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951423 371888538 /nfs/dbraw/zinc/88/85/38/371888538.db2.gz YMTOWCOGDMJBKC-GXFFZTMASA-N 2 2 287.234 3.124 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000422990024 371906589 /nfs/dbraw/zinc/90/65/89/371906589.db2.gz BJAHOVNKUCEZQD-VIBAHUMZSA-N 2 2 288.435 3.152 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(OC)c1 ZINC000290118202 371909750 /nfs/dbraw/zinc/90/97/50/371909750.db2.gz TZMPYBWVQWMHBN-AWEZNQCLSA-N 2 2 287.407 3.054 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(OC)c1 ZINC000290118202 371909756 /nfs/dbraw/zinc/90/97/56/371909756.db2.gz TZMPYBWVQWMHBN-AWEZNQCLSA-N 2 2 287.407 3.054 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423029999 371924077 /nfs/dbraw/zinc/92/40/77/371924077.db2.gz AZWDUDSQJIVCPV-VZAMPYOESA-N 2 2 296.842 3.146 20 0 CGADLP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Cl ZINC000423111485 371973116 /nfs/dbraw/zinc/97/31/16/371973116.db2.gz WBNPWZUKDQHJAU-IUODEOHRSA-N 2 2 296.842 3.359 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423134459 371984299 /nfs/dbraw/zinc/98/42/99/371984299.db2.gz RYGXCABFPUNLKR-MELADBBJSA-N 2 2 296.361 3.038 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)n2c1 ZINC000290447488 371991246 /nfs/dbraw/zinc/99/12/46/371991246.db2.gz MFIZTYZVIITEAZ-QXAKKESOSA-N 2 2 289.382 3.071 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423151871 371994208 /nfs/dbraw/zinc/99/42/08/371994208.db2.gz DCGFDNSCWFTOAK-RRCSTGOVSA-N 2 2 274.408 3.019 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423196698 372020704 /nfs/dbraw/zinc/02/07/04/372020704.db2.gz VYGABDSUNWFONS-WCQYABFASA-N 2 2 264.438 3.030 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423395414 372060525 /nfs/dbraw/zinc/06/05/25/372060525.db2.gz SUPHJRWZQRKHIS-OUCADQQQSA-N 2 2 264.438 3.200 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423404315 372060991 /nfs/dbraw/zinc/06/09/91/372060991.db2.gz ZVQJXFRIKQXYOR-IRXDYDNUSA-N 2 2 287.451 3.291 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)o1 ZINC000423261545 372043865 /nfs/dbraw/zinc/04/38/65/372043865.db2.gz KBPDJEPZPDEDLV-MLGOLLRUSA-N 2 2 264.413 3.455 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178017 372007101 /nfs/dbraw/zinc/00/71/01/372007101.db2.gz BLFWWFITFHEHNA-NHYWBVRUSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000290522106 372009357 /nfs/dbraw/zinc/00/93/57/372009357.db2.gz XPIQRXONDZUJSU-KRWDZBQOSA-N 2 2 296.414 3.479 20 0 CGADLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2cccc(F)c2[nH+]1 ZINC000290529573 372010485 /nfs/dbraw/zinc/01/04/85/372010485.db2.gz NVZGSZWRQRSGKN-LBPRGKRZSA-N 2 2 284.338 3.379 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184355 372012326 /nfs/dbraw/zinc/01/23/26/372012326.db2.gz ILCWFLYGDFADPL-CMPLNLGQSA-N 2 2 281.469 3.152 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000423184721 372012768 /nfs/dbraw/zinc/01/27/68/372012768.db2.gz NGWOBDIPHSCXOA-LBPRGKRZSA-N 2 2 264.438 3.331 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(SC2CCCC2)cc1 ZINC000423184720 372013591 /nfs/dbraw/zinc/01/35/91/372013591.db2.gz NGWOBDIPHSCXOA-GFCCVEGCSA-N 2 2 264.438 3.331 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423507901 372071235 /nfs/dbraw/zinc/07/12/35/372071235.db2.gz IRUXBAZGFRQHDL-XJKSGUPXSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccsc2S1 ZINC000423561061 372073039 /nfs/dbraw/zinc/07/30/39/372073039.db2.gz POWXQFGWOJEFCW-GMXVVIOVSA-N 2 2 282.478 3.405 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427847501 372175276 /nfs/dbraw/zinc/17/52/76/372175276.db2.gz AGZHLGSHSMZABB-KKUMJFAQSA-N 2 2 261.413 3.002 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872098 372176754 /nfs/dbraw/zinc/17/67/54/372176754.db2.gz WVMXXKCEYIDWID-ZBFHGGJFSA-N 2 2 297.402 3.010 20 0 CGADLP CCOC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000293107211 372301322 /nfs/dbraw/zinc/30/13/22/372301322.db2.gz YGNBJYMDTVCKRC-UHFFFAOYSA-N 2 2 299.418 3.311 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000429255340 372330854 /nfs/dbraw/zinc/33/08/54/372330854.db2.gz PFKDOYWREWSLTM-AWEZNQCLSA-N 2 2 290.411 3.215 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC000429255340 372330865 /nfs/dbraw/zinc/33/08/65/372330865.db2.gz PFKDOYWREWSLTM-AWEZNQCLSA-N 2 2 290.411 3.215 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc2cccnc12 ZINC000344330069 217153748 /nfs/dbraw/zinc/15/37/48/217153748.db2.gz USEHCQKLEQXIMM-WMLDXEAASA-N 2 2 283.419 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc2cccnc12 ZINC000344330069 217153749 /nfs/dbraw/zinc/15/37/49/217153749.db2.gz USEHCQKLEQXIMM-WMLDXEAASA-N 2 2 283.419 3.116 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@@H+]1C ZINC000344333449 217154689 /nfs/dbraw/zinc/15/46/89/217154689.db2.gz PRMOOJUHUMNMRI-BEFAXECRSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@H+]1C ZINC000344333449 217154693 /nfs/dbraw/zinc/15/46/93/217154693.db2.gz PRMOOJUHUMNMRI-BEFAXECRSA-N 2 2 295.430 3.321 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1F ZINC000163469002 372472973 /nfs/dbraw/zinc/47/29/73/372472973.db2.gz QVBZWTSMSQXEOI-IUODEOHRSA-N 2 2 261.344 3.152 20 0 CGADLP CCC[C@H](C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000293615323 372425674 /nfs/dbraw/zinc/42/56/74/372425674.db2.gz HXEBOWDGHZGTGL-QGZVFWFLSA-N 2 2 287.407 3.085 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000162911440 372433085 /nfs/dbraw/zinc/43/30/85/372433085.db2.gz LNWRBFFGJCEHQR-CQSZACIVSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293665343 372443191 /nfs/dbraw/zinc/44/31/91/372443191.db2.gz UHITZAHXGVAWNI-RDTXWAMCSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293665343 372443192 /nfs/dbraw/zinc/44/31/92/372443192.db2.gz UHITZAHXGVAWNI-RDTXWAMCSA-N 2 2 299.418 3.126 20 0 CGADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000293952415 372534809 /nfs/dbraw/zinc/53/48/09/372534809.db2.gz BUVYQYSUGYXVGM-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163689959 372488326 /nfs/dbraw/zinc/48/83/26/372488326.db2.gz RDMIUSPLMMCZJB-CVEARBPZSA-N 2 2 290.451 3.043 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1F ZINC000163781211 372491500 /nfs/dbraw/zinc/49/15/00/372491500.db2.gz UQQDWIWWGIXNQU-CYBMUJFWSA-N 2 2 273.355 3.374 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000166322406 372569742 /nfs/dbraw/zinc/56/97/42/372569742.db2.gz DBCOKSPZMCOIGF-DZKIICNBSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000166322406 372569749 /nfs/dbraw/zinc/56/97/49/372569749.db2.gz DBCOKSPZMCOIGF-DZKIICNBSA-N 2 2 258.409 3.271 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000294290788 372641002 /nfs/dbraw/zinc/64/10/02/372641002.db2.gz UDQGKORMANIYBJ-YOEHRIQHSA-N 2 2 287.407 3.023 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)o1 ZINC000344548331 217227150 /nfs/dbraw/zinc/22/71/50/217227150.db2.gz NCEOKKHHUQGKIP-ZDUSSCGKSA-N 2 2 273.380 3.014 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000435735657 372799901 /nfs/dbraw/zinc/79/99/01/372799901.db2.gz OXYBWLPKMZTKRK-HIFRSBDPSA-N 2 2 290.476 3.166 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000435735657 372799907 /nfs/dbraw/zinc/79/99/07/372799907.db2.gz OXYBWLPKMZTKRK-HIFRSBDPSA-N 2 2 290.476 3.166 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353465376 220098055 /nfs/dbraw/zinc/09/80/55/220098055.db2.gz TURNUSWTPLGWMV-STQMWFEESA-N 2 2 293.361 3.161 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000172268676 372933714 /nfs/dbraw/zinc/93/37/14/372933714.db2.gz OJMSEZZFXAOBOH-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000172268676 372933726 /nfs/dbraw/zinc/93/37/26/372933726.db2.gz OJMSEZZFXAOBOH-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779453 373077392 /nfs/dbraw/zinc/07/73/92/373077392.db2.gz IPNCAMICWQXGBX-STQMWFEESA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779453 373077409 /nfs/dbraw/zinc/07/74/09/373077409.db2.gz IPNCAMICWQXGBX-STQMWFEESA-N 2 2 293.480 3.360 20 0 CGADLP CC[C@@H](COC)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442879423 373116304 /nfs/dbraw/zinc/11/63/04/373116304.db2.gz VXNLYXUYQJTYQD-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1ccc([C@H](C)[N@H+](C)CCc2c[nH+]cn2C)c(C)c1 ZINC000297658067 373277105 /nfs/dbraw/zinc/27/71/05/373277105.db2.gz JJRNGHJGVCWYGU-HNNXBMFYSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1ccc([C@H](C)[N@@H+](C)CCc2c[nH+]cn2C)c(C)c1 ZINC000297658067 373277118 /nfs/dbraw/zinc/27/71/18/373277118.db2.gz JJRNGHJGVCWYGU-HNNXBMFYSA-N 2 2 271.408 3.272 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000353614521 220192138 /nfs/dbraw/zinc/19/21/38/220192138.db2.gz XWTCFCWAVVSSMQ-LCGIIJARSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000353614521 220192141 /nfs/dbraw/zinc/19/21/41/220192141.db2.gz XWTCFCWAVVSSMQ-LCGIIJARSA-N 2 2 281.403 3.049 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSC(C)(C)C2)c[nH+]1 ZINC000353627007 220201733 /nfs/dbraw/zinc/20/17/33/220201733.db2.gz RPICZIXOOCWBJH-UHFFFAOYSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSC(C)(C)C2)c[nH+]1 ZINC000353627007 220201736 /nfs/dbraw/zinc/20/17/36/220201736.db2.gz RPICZIXOOCWBJH-UHFFFAOYSA-N 2 2 264.438 3.150 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000447900135 373521886 /nfs/dbraw/zinc/52/18/86/373521886.db2.gz ABEUMBDAQAECFV-LVFSCSRESA-N 2 2 286.463 3.453 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000447900135 373521892 /nfs/dbraw/zinc/52/18/92/373521892.db2.gz ABEUMBDAQAECFV-LVFSCSRESA-N 2 2 286.463 3.453 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000447926871 373522373 /nfs/dbraw/zinc/52/23/73/373522373.db2.gz CWEASUSTBTXXOZ-UHFFFAOYSA-N 2 2 295.496 3.406 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447938491 373523580 /nfs/dbraw/zinc/52/35/80/373523580.db2.gz GEQOUWOCQQDOIW-STQMWFEESA-N 2 2 295.496 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCC2 ZINC000353633078 220210956 /nfs/dbraw/zinc/21/09/56/220210956.db2.gz VWDOIJRYSQHDDE-ZYHUDNBSSA-N 2 2 287.432 3.168 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000353633078 220210959 /nfs/dbraw/zinc/21/09/59/220210959.db2.gz VWDOIJRYSQHDDE-ZYHUDNBSSA-N 2 2 287.432 3.168 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414598 373632595 /nfs/dbraw/zinc/63/25/95/373632595.db2.gz MZMAXWNHTADWHF-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414598 373632602 /nfs/dbraw/zinc/63/26/02/373632602.db2.gz MZMAXWNHTADWHF-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000177014064 373648484 /nfs/dbraw/zinc/64/84/84/373648484.db2.gz HUJUDHZWXWJGKW-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000177014064 373648491 /nfs/dbraw/zinc/64/84/91/373648491.db2.gz HUJUDHZWXWJGKW-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+]1CCOCC1 ZINC000449163623 373666276 /nfs/dbraw/zinc/66/62/76/373666276.db2.gz MZVIYOAIRZIMQY-SJORKVTESA-N 2 2 294.483 3.047 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449336160 373680664 /nfs/dbraw/zinc/68/06/64/373680664.db2.gz MWVKAGSSGQRPFE-UONOGXRCSA-N 2 2 261.413 3.216 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449336160 373680677 /nfs/dbraw/zinc/68/06/77/373680677.db2.gz MWVKAGSSGQRPFE-UONOGXRCSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1cc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nc[nH+]1 ZINC000301221592 373696828 /nfs/dbraw/zinc/69/68/28/373696828.db2.gz BTCDJYBWEOZCHR-AWEZNQCLSA-N 2 2 284.407 3.326 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000178428590 373776901 /nfs/dbraw/zinc/77/69/01/373776901.db2.gz XWOYKOLFRZTIBK-AWEZNQCLSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000178428590 373776904 /nfs/dbraw/zinc/77/69/04/373776904.db2.gz XWOYKOLFRZTIBK-AWEZNQCLSA-N 2 2 287.382 3.014 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449444733 373722422 /nfs/dbraw/zinc/72/24/22/373722422.db2.gz CWNIBSZXLRFIKF-ZQIUZPCESA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449444733 373722429 /nfs/dbraw/zinc/72/24/29/373722429.db2.gz CWNIBSZXLRFIKF-ZQIUZPCESA-N 2 2 258.409 3.210 20 0 CGADLP Cc1ccc(CCC[NH+]2C[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000353663591 220238568 /nfs/dbraw/zinc/23/85/68/220238568.db2.gz VKNQBVIPOKQWMH-IRXDYDNUSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cc[nH+]c(NC2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000301648226 373793063 /nfs/dbraw/zinc/79/30/63/373793063.db2.gz OQULKYMCIMOGKH-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP CCCC[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000179286199 373853505 /nfs/dbraw/zinc/85/35/05/373853505.db2.gz YAGFIUOCAHSVBS-UHFFFAOYSA-N 2 2 286.423 3.250 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C)c1 ZINC000353669890 220240390 /nfs/dbraw/zinc/24/03/90/220240390.db2.gz JXYHTQYQIXQVBC-JKSUJKDBSA-N 2 2 269.392 3.247 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(F)ccc1C ZINC000180257885 373985457 /nfs/dbraw/zinc/98/54/57/373985457.db2.gz ICHWHDUQLKLSAD-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(F)ccc1C ZINC000180257885 373985461 /nfs/dbraw/zinc/98/54/61/373985461.db2.gz ICHWHDUQLKLSAD-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C ZINC000180257885 373985468 /nfs/dbraw/zinc/98/54/68/373985468.db2.gz ICHWHDUQLKLSAD-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C ZINC000180257885 373985470 /nfs/dbraw/zinc/98/54/70/373985470.db2.gz ICHWHDUQLKLSAD-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@@H+]1C ZINC000180973679 374064339 /nfs/dbraw/zinc/06/43/39/374064339.db2.gz RANDKUXELJBAEM-HOCLYGCPSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973679 374064347 /nfs/dbraw/zinc/06/43/47/374064347.db2.gz RANDKUXELJBAEM-HOCLYGCPSA-N 2 2 288.435 3.190 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000181084304 374076895 /nfs/dbraw/zinc/07/68/95/374076895.db2.gz AKVHLKQEIVLZHE-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000181084304 374076898 /nfs/dbraw/zinc/07/68/98/374076898.db2.gz AKVHLKQEIVLZHE-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000450436370 374127476 /nfs/dbraw/zinc/12/74/76/374127476.db2.gz QWFJLULVOBPGCX-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)[C@H]1C ZINC000450436370 374127480 /nfs/dbraw/zinc/12/74/80/374127480.db2.gz QWFJLULVOBPGCX-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000450436370 374127484 /nfs/dbraw/zinc/12/74/84/374127484.db2.gz QWFJLULVOBPGCX-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000450436370 374127488 /nfs/dbraw/zinc/12/74/88/374127488.db2.gz QWFJLULVOBPGCX-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccsc1Cl)C[NH+]1CCCC1 ZINC000312551459 374281851 /nfs/dbraw/zinc/28/18/51/374281851.db2.gz FFBYABQJGPVOPD-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP Cc1ccc(C(C)(C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182799762 374330159 /nfs/dbraw/zinc/33/01/59/374330159.db2.gz LJHADEFEDDIBPV-UHFFFAOYSA-N 2 2 285.435 3.491 20 0 CGADLP Cc1ccc(C(C)(C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182799762 374330163 /nfs/dbraw/zinc/33/01/63/374330163.db2.gz LJHADEFEDDIBPV-UHFFFAOYSA-N 2 2 285.435 3.491 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000183179472 374381907 /nfs/dbraw/zinc/38/19/07/374381907.db2.gz PJILKUMQQWPFRZ-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000183179472 374381913 /nfs/dbraw/zinc/38/19/13/374381913.db2.gz PJILKUMQQWPFRZ-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000183204709 374384811 /nfs/dbraw/zinc/38/48/11/374384811.db2.gz LFHHGOZLJIZHGD-GFCCVEGCSA-N 2 2 270.367 3.347 20 0 CGADLP CCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167744 541958102 /nfs/dbraw/zinc/95/81/02/541958102.db2.gz FNFGCFUJUWDVAA-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167744 541958104 /nfs/dbraw/zinc/95/81/04/541958104.db2.gz FNFGCFUJUWDVAA-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1cccc2[nH+]cc(C[NH+]3CCC4(CCOCC4)CC3)n21 ZINC000334199858 206181788 /nfs/dbraw/zinc/18/17/88/206181788.db2.gz PTLYYVDEKRGDII-UHFFFAOYSA-N 2 2 299.418 3.035 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000334380691 374699508 /nfs/dbraw/zinc/69/95/08/374699508.db2.gz ZTOJMZLYWNBKDE-HNNXBMFYSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000334380691 374699513 /nfs/dbraw/zinc/69/95/13/374699513.db2.gz ZTOJMZLYWNBKDE-HNNXBMFYSA-N 2 2 255.365 3.098 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)c[nH+]1 ZINC000334150808 374651126 /nfs/dbraw/zinc/65/11/26/374651126.db2.gz NPJYJPHNRWFCMD-MRXNPFEDSA-N 2 2 289.423 3.012 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334430757 374744487 /nfs/dbraw/zinc/74/44/87/374744487.db2.gz JUZRTYWSGYPOJA-INIZCTEOSA-N 2 2 259.397 3.014 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334430757 374744491 /nfs/dbraw/zinc/74/44/91/374744491.db2.gz JUZRTYWSGYPOJA-INIZCTEOSA-N 2 2 259.397 3.014 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000334686422 374975397 /nfs/dbraw/zinc/97/53/97/374975397.db2.gz MLVUJRXWNDYXGR-UKRRQHHQSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000334686422 374975399 /nfs/dbraw/zinc/97/53/99/374975399.db2.gz MLVUJRXWNDYXGR-UKRRQHHQSA-N 2 2 269.392 3.235 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000187169104 374982223 /nfs/dbraw/zinc/98/22/23/374982223.db2.gz NZDOBINNCDOPLL-OAHLLOKOSA-N 2 2 271.408 3.262 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)CCO1 ZINC000472560952 375024046 /nfs/dbraw/zinc/02/40/46/375024046.db2.gz DLUWMOCCTCYXHZ-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](CCC3CCCCC3)CC2)CCO1 ZINC000472560952 375024051 /nfs/dbraw/zinc/02/40/51/375024051.db2.gz DLUWMOCCTCYXHZ-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800032 375033004 /nfs/dbraw/zinc/03/30/04/375033004.db2.gz RAKZAMICTLFXCF-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800032 375033012 /nfs/dbraw/zinc/03/30/12/375033012.db2.gz RAKZAMICTLFXCF-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800032 375033015 /nfs/dbraw/zinc/03/30/15/375033015.db2.gz RAKZAMICTLFXCF-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800032 375033022 /nfs/dbraw/zinc/03/30/22/375033022.db2.gz RAKZAMICTLFXCF-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000094896224 541990341 /nfs/dbraw/zinc/99/03/41/541990341.db2.gz CKUCMFHTQNNDJZ-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000094896224 541990344 /nfs/dbraw/zinc/99/03/44/541990344.db2.gz CKUCMFHTQNNDJZ-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)s1 ZINC000335060706 375099037 /nfs/dbraw/zinc/09/90/37/375099037.db2.gz QMNXWYAVOSCPHZ-ULKQDVFKSA-N 2 2 291.247 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188020251 375142659 /nfs/dbraw/zinc/14/26/59/375142659.db2.gz CQFPAMWUQRIGEF-LESCRADOSA-N 2 2 299.418 3.074 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000480243949 375158001 /nfs/dbraw/zinc/15/80/01/375158001.db2.gz GCEUMIQKTGJSFF-CRAIPNDOSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000480243949 375158008 /nfs/dbraw/zinc/15/80/08/375158008.db2.gz GCEUMIQKTGJSFF-CRAIPNDOSA-N 2 2 274.452 3.457 20 0 CGADLP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@H](c1ccccc1)[NH+](C)C ZINC000487562446 375254367 /nfs/dbraw/zinc/25/43/67/375254367.db2.gz SDQVJQFBSIJUOD-BOYOMHKPSA-N 2 2 295.430 3.376 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000487320587 375227551 /nfs/dbraw/zinc/22/75/51/375227551.db2.gz PPCWHGQDHDOCGQ-TZMCWYRMSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000487320587 375227560 /nfs/dbraw/zinc/22/75/60/375227560.db2.gz PPCWHGQDHDOCGQ-TZMCWYRMSA-N 2 2 296.842 3.311 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@H]2CCC23CCCC3)c[nH+]1 ZINC000189060826 375316303 /nfs/dbraw/zinc/31/63/03/375316303.db2.gz IUTOSTBIKMYXQH-HNNXBMFYSA-N 2 2 282.391 3.080 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)nc1 ZINC000189070554 375318303 /nfs/dbraw/zinc/31/83/03/375318303.db2.gz LZVBBIXEUJRFGF-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189892972 375457167 /nfs/dbraw/zinc/45/71/67/375457167.db2.gz HPFMYAYQLOORNS-RHSMWYFYSA-N 2 2 285.391 3.092 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335821012 375458465 /nfs/dbraw/zinc/45/84/65/375458465.db2.gz KENQICCKUYMUHF-UHFFFAOYSA-N 2 2 291.439 3.167 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335821012 375458470 /nfs/dbraw/zinc/45/84/70/375458470.db2.gz KENQICCKUYMUHF-UHFFFAOYSA-N 2 2 291.439 3.167 20 0 CGADLP CCCc1csc(C[NH2+]CCCNc2cccc[nH+]2)n1 ZINC000494183326 535449494 /nfs/dbraw/zinc/44/94/94/535449494.db2.gz RBJDCNKJOANREQ-UHFFFAOYSA-N 2 2 290.436 3.082 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000190206879 375484416 /nfs/dbraw/zinc/48/44/16/375484416.db2.gz SWDSABWOWQZXPS-LBPRGKRZSA-N 2 2 289.345 3.184 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000190206879 375484420 /nfs/dbraw/zinc/48/44/20/375484420.db2.gz SWDSABWOWQZXPS-LBPRGKRZSA-N 2 2 289.345 3.184 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000494367592 375488225 /nfs/dbraw/zinc/48/82/25/375488225.db2.gz NLWPRLWQIYIIES-QGZVFWFLSA-N 2 2 290.451 3.086 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000191114690 375579570 /nfs/dbraw/zinc/57/95/70/375579570.db2.gz IWVDMNXGIMBANN-KBPBESRZSA-N 2 2 257.381 3.393 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840482 375668668 /nfs/dbraw/zinc/66/86/68/375668668.db2.gz OSCRVPJTNVHSFQ-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840482 375668672 /nfs/dbraw/zinc/66/86/72/375668672.db2.gz OSCRVPJTNVHSFQ-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000191954741 375684247 /nfs/dbraw/zinc/68/42/47/375684247.db2.gz NUOAPUKKTSFHBX-UHFFFAOYSA-N 2 2 257.381 3.411 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC000191954741 375684252 /nfs/dbraw/zinc/68/42/52/375684252.db2.gz NUOAPUKKTSFHBX-UHFFFAOYSA-N 2 2 257.381 3.411 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCC13CCCCC3)C2 ZINC000336228311 375761688 /nfs/dbraw/zinc/76/16/88/375761688.db2.gz ZEOVANPMNOPELY-XJKSGUPXSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CCCCC3)CC2 ZINC000336228311 375761690 /nfs/dbraw/zinc/76/16/90/375761690.db2.gz ZEOVANPMNOPELY-XJKSGUPXSA-N 2 2 273.424 3.360 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000192984321 375812119 /nfs/dbraw/zinc/81/21/19/375812119.db2.gz DLNVCKRLHLJELO-UHFFFAOYSA-N 2 2 272.845 3.364 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000515578810 375814574 /nfs/dbraw/zinc/81/45/74/375814574.db2.gz VHDMSQBPGXDOMA-QLFBSQMISA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000515578810 375814578 /nfs/dbraw/zinc/81/45/78/375814578.db2.gz VHDMSQBPGXDOMA-QLFBSQMISA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578810 375814580 /nfs/dbraw/zinc/81/45/80/375814580.db2.gz VHDMSQBPGXDOMA-QLFBSQMISA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578810 375814582 /nfs/dbraw/zinc/81/45/82/375814582.db2.gz VHDMSQBPGXDOMA-QLFBSQMISA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@@H+]1C ZINC000336600955 375864526 /nfs/dbraw/zinc/86/45/26/375864526.db2.gz UTDJGYKOKZRUKZ-BXUZGUMPSA-N 2 2 273.355 3.269 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@H+]1C ZINC000336600955 375864529 /nfs/dbraw/zinc/86/45/29/375864529.db2.gz UTDJGYKOKZRUKZ-BXUZGUMPSA-N 2 2 273.355 3.269 20 0 CGADLP c1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534863889 376001662 /nfs/dbraw/zinc/00/16/62/376001662.db2.gz PASMXQCUKDAKFK-UHFFFAOYSA-N 2 2 297.402 3.037 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000336895070 376023179 /nfs/dbraw/zinc/02/31/79/376023179.db2.gz MKDXXEZGCMTWMH-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000336895070 376023182 /nfs/dbraw/zinc/02/31/82/376023182.db2.gz MKDXXEZGCMTWMH-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CCCC2 ZINC000336904341 376027464 /nfs/dbraw/zinc/02/74/64/376027464.db2.gz WAAKICKWFGVQAT-OAHLLOKOSA-N 2 2 250.430 3.175 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000535316653 376034703 /nfs/dbraw/zinc/03/47/03/376034703.db2.gz OXJBOYVCACKLOZ-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000535316653 376034711 /nfs/dbraw/zinc/03/47/11/376034711.db2.gz OXJBOYVCACKLOZ-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536557196 376097029 /nfs/dbraw/zinc/09/70/29/376097029.db2.gz XMQJFYGFNAZXGN-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536557196 376097037 /nfs/dbraw/zinc/09/70/37/376097037.db2.gz XMQJFYGFNAZXGN-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000536624963 376102895 /nfs/dbraw/zinc/10/28/95/376102895.db2.gz XGWQUQBGZVLBDZ-FRFSOERESA-N 2 2 272.436 3.475 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000536624963 376102899 /nfs/dbraw/zinc/10/28/99/376102899.db2.gz XGWQUQBGZVLBDZ-FRFSOERESA-N 2 2 272.436 3.475 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000132120946 542074654 /nfs/dbraw/zinc/07/46/54/542074654.db2.gz JGLSDWALIXEEMQ-MRXNPFEDSA-N 2 2 278.827 3.353 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC000221783276 376221894 /nfs/dbraw/zinc/22/18/94/376221894.db2.gz WFQGXPFSMNLDOQ-UHFFFAOYSA-N 2 2 254.805 3.160 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC000221783276 376221900 /nfs/dbraw/zinc/22/19/00/376221900.db2.gz WFQGXPFSMNLDOQ-UHFFFAOYSA-N 2 2 254.805 3.160 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538264061 376227779 /nfs/dbraw/zinc/22/77/79/376227779.db2.gz AWYJBFKVYPFGDR-JSGCOSHPSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538264061 376227783 /nfs/dbraw/zinc/22/77/83/376227783.db2.gz AWYJBFKVYPFGDR-JSGCOSHPSA-N 2 2 273.355 3.110 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445412 376234489 /nfs/dbraw/zinc/23/44/89/376234489.db2.gz AGDCTYMWFMOSSI-NEPJUHHUSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445412 376234490 /nfs/dbraw/zinc/23/44/90/376234490.db2.gz AGDCTYMWFMOSSI-NEPJUHHUSA-N 2 2 266.351 3.037 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)[nH+]c1 ZINC000337987404 376250813 /nfs/dbraw/zinc/25/08/13/376250813.db2.gz KJFOKJOGFNIMJC-DLBZAZTESA-N 2 2 285.435 3.219 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000539086573 376293318 /nfs/dbraw/zinc/29/33/18/376293318.db2.gz BTNFMOUALQBRLQ-TXPKVOOTSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000539086573 376293323 /nfs/dbraw/zinc/29/33/23/376293323.db2.gz BTNFMOUALQBRLQ-TXPKVOOTSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000539218268 376298871 /nfs/dbraw/zinc/29/88/71/376298871.db2.gz QLUNZTUCHKUBOB-UONOGXRCSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000539218268 376298875 /nfs/dbraw/zinc/29/88/75/376298875.db2.gz QLUNZTUCHKUBOB-UONOGXRCSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000338687597 376479649 /nfs/dbraw/zinc/47/96/49/376479649.db2.gz NDODMSGDCGQIIS-AWEZNQCLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000338687597 376479658 /nfs/dbraw/zinc/47/96/58/376479658.db2.gz NDODMSGDCGQIIS-AWEZNQCLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000541535562 376455927 /nfs/dbraw/zinc/45/59/27/376455927.db2.gz FQLIWQGXDGUOMS-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000541535562 376455933 /nfs/dbraw/zinc/45/59/33/376455933.db2.gz FQLIWQGXDGUOMS-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccc(F)cc2F)CC1 ZINC000541773947 376481681 /nfs/dbraw/zinc/48/16/81/376481681.db2.gz POWNVJIIUIYMLY-SNAWJCMRSA-N 2 2 294.389 3.394 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(F)cc2F)CC1 ZINC000541773947 376481684 /nfs/dbraw/zinc/48/16/84/376481684.db2.gz POWNVJIIUIYMLY-SNAWJCMRSA-N 2 2 294.389 3.394 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000229553610 376464913 /nfs/dbraw/zinc/46/49/13/376464913.db2.gz VJASDLYGVPVGGX-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000229553610 376464916 /nfs/dbraw/zinc/46/49/16/376464916.db2.gz VJASDLYGVPVGGX-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670616 376564844 /nfs/dbraw/zinc/56/48/44/376564844.db2.gz LIWYCSJBYFGHIP-LLVKDONJSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670616 376564850 /nfs/dbraw/zinc/56/48/50/376564850.db2.gz LIWYCSJBYFGHIP-LLVKDONJSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230660171 376526443 /nfs/dbraw/zinc/52/64/43/376526443.db2.gz WEKDPMCEDLKGGM-GDBMZVCRSA-N 2 2 269.392 3.398 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000233900800 376605436 /nfs/dbraw/zinc/60/54/36/376605436.db2.gz IWYDLYVRIVEOMX-UONOGXRCSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)cc2F)CC[N@@H+]1C ZINC000542702439 376570770 /nfs/dbraw/zinc/57/07/70/376570770.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)cc2F)CC[N@H+]1C ZINC000542702439 376570774 /nfs/dbraw/zinc/57/07/74/376570774.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(F)cc2F)CC[NH+]1C ZINC000542702439 376570776 /nfs/dbraw/zinc/57/07/76/376570776.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(F)cc2F)CC[NH+]1C ZINC000542702439 376570780 /nfs/dbraw/zinc/57/07/80/376570780.db2.gz GUNDTPGGOBRQFG-DUIDPNDXSA-N 2 2 294.389 3.393 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000339175575 376727024 /nfs/dbraw/zinc/72/70/24/376727024.db2.gz TWTKYELCONATDA-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP CCCc1csc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000494373717 535449913 /nfs/dbraw/zinc/44/99/13/535449913.db2.gz ZITRHJCESQPBLC-AWEZNQCLSA-N 2 2 295.496 3.450 20 0 CGADLP CCCc1csc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000494373717 535449918 /nfs/dbraw/zinc/44/99/18/535449918.db2.gz ZITRHJCESQPBLC-AWEZNQCLSA-N 2 2 295.496 3.450 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000237369403 376739793 /nfs/dbraw/zinc/73/97/93/376739793.db2.gz ZUEJMTMQCFYDKK-CJNGLKHVSA-N 2 2 295.386 3.383 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1 ZINC000545148158 376789321 /nfs/dbraw/zinc/78/93/21/376789321.db2.gz IJOCABNORCTNSM-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1 ZINC000545148158 376789326 /nfs/dbraw/zinc/78/93/26/376789326.db2.gz IJOCABNORCTNSM-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)o1 ZINC000156347093 542127475 /nfs/dbraw/zinc/12/74/75/542127475.db2.gz UYQIGJCEMCQOQM-AWEZNQCLSA-N 2 2 283.375 3.437 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC34CCC(CC3)C4)n2c1 ZINC000339792952 376849738 /nfs/dbraw/zinc/84/97/38/376849738.db2.gz VLPVJAVDGUXYGU-UHFFFAOYSA-N 2 2 269.392 3.313 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3cccnc3)C3CC3)n2c1 ZINC000340105190 376918989 /nfs/dbraw/zinc/91/89/89/376918989.db2.gz OUOQSQVHYBHTFF-GOSISDBHSA-N 2 2 292.386 3.279 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](c3cccnc3)C3CC3)c[nH+]c12 ZINC000340105574 376919233 /nfs/dbraw/zinc/91/92/33/376919233.db2.gz SEOKGPOCXZECSD-QGZVFWFLSA-N 2 2 292.386 3.279 20 0 CGADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000245939805 376938233 /nfs/dbraw/zinc/93/82/33/376938233.db2.gz UCXGWFIVEBODJF-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000245939805 376938236 /nfs/dbraw/zinc/93/82/36/376938236.db2.gz UCXGWFIVEBODJF-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@]1(C)CCCO1 ZINC000340206985 376949731 /nfs/dbraw/zinc/94/97/31/376949731.db2.gz QZFXCVJXDYRMLS-GUYCJALGSA-N 2 2 287.407 3.043 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000340244391 376961439 /nfs/dbraw/zinc/96/14/39/376961439.db2.gz HQRJNZAYKMPARO-CABCVRRESA-N 2 2 282.472 3.185 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000340244391 376961450 /nfs/dbraw/zinc/96/14/50/376961450.db2.gz HQRJNZAYKMPARO-CABCVRRESA-N 2 2 282.472 3.185 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449635 377065106 /nfs/dbraw/zinc/06/51/06/377065106.db2.gz MBXQRATXVQGSLT-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449635 377065115 /nfs/dbraw/zinc/06/51/15/377065115.db2.gz MBXQRATXVQGSLT-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sccc1C ZINC000246672451 377069434 /nfs/dbraw/zinc/06/94/34/377069434.db2.gz UJGRFIKECRPFLS-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1sccc1C ZINC000246672451 377069442 /nfs/dbraw/zinc/06/94/42/377069442.db2.gz UJGRFIKECRPFLS-OLZOCXBDSA-N 2 2 252.427 3.191 20 0 CGADLP CC(C)(C)C1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000559877884 377103969 /nfs/dbraw/zinc/10/39/69/377103969.db2.gz IEXDAFCAUJNBMC-UHFFFAOYSA-N 2 2 287.451 3.465 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2F)C1 ZINC000340540527 377137013 /nfs/dbraw/zinc/13/70/13/377137013.db2.gz GMRNCZKBTADXFM-CABCVRRESA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2F)C1 ZINC000340540527 377137024 /nfs/dbraw/zinc/13/70/24/377137024.db2.gz GMRNCZKBTADXFM-CABCVRRESA-N 2 2 293.430 3.239 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[N@@H+]1C ZINC000247036837 377145263 /nfs/dbraw/zinc/14/52/63/377145263.db2.gz MNSSOGDGHRWTCO-ATZDWAIDSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[N@H+]1C ZINC000247036837 377145269 /nfs/dbraw/zinc/14/52/69/377145269.db2.gz MNSSOGDGHRWTCO-ATZDWAIDSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000247213496 377177034 /nfs/dbraw/zinc/17/70/34/377177034.db2.gz XCMBBPJGCWWUGF-XUJVJEKNSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000247213496 377177040 /nfs/dbraw/zinc/17/70/40/377177040.db2.gz XCMBBPJGCWWUGF-XUJVJEKNSA-N 2 2 294.439 3.435 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000561906557 377252845 /nfs/dbraw/zinc/25/28/45/377252845.db2.gz LSDPERIGPLFGPP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000561906557 377252852 /nfs/dbraw/zinc/25/28/52/377252852.db2.gz LSDPERIGPLFGPP-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000561108620 377206921 /nfs/dbraw/zinc/20/69/21/377206921.db2.gz DJFXUDIIPUBPTK-MRXNPFEDSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000562055870 377271098 /nfs/dbraw/zinc/27/10/98/377271098.db2.gz AHLKSAXPQSMAKY-MAUKXSAKSA-N 2 2 287.451 3.347 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCCC[C@@H]12 ZINC000248374313 377299674 /nfs/dbraw/zinc/29/96/74/377299674.db2.gz PKOJICUMXRKBCR-KBMXLJTQSA-N 2 2 269.392 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCCC[C@@H]12 ZINC000248374313 377299679 /nfs/dbraw/zinc/29/96/79/377299679.db2.gz PKOJICUMXRKBCR-KBMXLJTQSA-N 2 2 269.392 3.345 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562880032 377368943 /nfs/dbraw/zinc/36/89/43/377368943.db2.gz ITZCWANGUCQSPS-UONOGXRCSA-N 2 2 261.413 3.134 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248625898 377369188 /nfs/dbraw/zinc/36/91/88/377369188.db2.gz FSKPKUYFWBYOFY-ZACQAIPSSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248625898 377369196 /nfs/dbraw/zinc/36/91/96/377369196.db2.gz FSKPKUYFWBYOFY-ZACQAIPSSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000563443400 377468311 /nfs/dbraw/zinc/46/83/11/377468311.db2.gz GCZIFXBCJQXJIF-OLZOCXBDSA-N 2 2 280.378 3.427 20 0 CGADLP CCCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670888 249031526 /nfs/dbraw/zinc/03/15/26/249031526.db2.gz XBMMBRXHVHNUIJ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC(C)C1CCC(C[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313255085 249089523 /nfs/dbraw/zinc/08/95/23/249089523.db2.gz QTMUXDRUXPWDBU-UHFFFAOYSA-N 2 2 263.429 3.015 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccsc3)C2)[nH]1 ZINC000360974122 249113652 /nfs/dbraw/zinc/11/36/52/249113652.db2.gz DVAFZBCHAZEJAE-CQSZACIVSA-N 2 2 275.421 3.283 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)[nH]1 ZINC000360974122 249113654 /nfs/dbraw/zinc/11/36/54/249113654.db2.gz DVAFZBCHAZEJAE-CQSZACIVSA-N 2 2 275.421 3.283 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341404440 377553623 /nfs/dbraw/zinc/55/36/23/377553623.db2.gz NKHYWWDNXVTRLP-RCCFBDPRSA-N 2 2 288.435 3.117 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000249969744 377545328 /nfs/dbraw/zinc/54/53/28/377545328.db2.gz XMSMYBOBFLSGCW-CVEARBPZSA-N 2 2 260.425 3.458 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000249969744 377545334 /nfs/dbraw/zinc/54/53/34/377545334.db2.gz XMSMYBOBFLSGCW-CVEARBPZSA-N 2 2 260.425 3.458 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250257285 377557203 /nfs/dbraw/zinc/55/72/03/377557203.db2.gz ULUFPOQKIRUARQ-NEPJUHHUSA-N 2 2 285.313 3.139 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250257285 377557207 /nfs/dbraw/zinc/55/72/07/377557207.db2.gz ULUFPOQKIRUARQ-NEPJUHHUSA-N 2 2 285.313 3.139 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C12CCCC2 ZINC000250492265 377560377 /nfs/dbraw/zinc/56/03/77/377560377.db2.gz IPXGUFJPCXCXTR-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000573732901 377568715 /nfs/dbraw/zinc/56/87/15/377568715.db2.gz YCHGPTJKGIQVHJ-KRWDZBQOSA-N 2 2 285.435 3.401 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573815130 377581664 /nfs/dbraw/zinc/58/16/64/377581664.db2.gz MBTNUVOHABROQX-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C)[NH3+] ZINC000516914587 249249348 /nfs/dbraw/zinc/24/93/48/249249348.db2.gz PWUWWWKOMMXMSL-WDEREUQCSA-N 2 2 278.783 3.425 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2sccc2[C@H]1C ZINC000251266834 377577895 /nfs/dbraw/zinc/57/78/95/377577895.db2.gz ZYNLWVSKZXQHPZ-NEPJUHHUSA-N 2 2 252.427 3.041 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2sccc2[C@H]1C ZINC000251266834 377577902 /nfs/dbraw/zinc/57/79/02/377577902.db2.gz ZYNLWVSKZXQHPZ-NEPJUHHUSA-N 2 2 252.427 3.041 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000518996320 249290156 /nfs/dbraw/zinc/29/01/56/249290156.db2.gz YJERHNKIELMBIT-TZMCWYRMSA-N 2 2 296.842 3.439 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000518996320 249290158 /nfs/dbraw/zinc/29/01/58/249290158.db2.gz YJERHNKIELMBIT-TZMCWYRMSA-N 2 2 296.842 3.439 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000179960945 542204425 /nfs/dbraw/zinc/20/44/25/542204425.db2.gz DKFHXKQLGVKQHK-KBXCAEBGSA-N 2 2 298.434 3.206 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251938808 377605820 /nfs/dbraw/zinc/60/58/20/377605820.db2.gz ZKMZGRRUWSBQLZ-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251938808 377605827 /nfs/dbraw/zinc/60/58/27/377605827.db2.gz ZKMZGRRUWSBQLZ-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000252644192 377644472 /nfs/dbraw/zinc/64/44/72/377644472.db2.gz NOCVVFDRPIJJER-TXPKVOOTSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000252644192 377644478 /nfs/dbraw/zinc/64/44/78/377644478.db2.gz NOCVVFDRPIJJER-TXPKVOOTSA-N 2 2 295.430 3.253 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCOC3CCCCCC3)CC2)[nH]1 ZINC000342589405 377677582 /nfs/dbraw/zinc/67/75/82/377677582.db2.gz CENJSRZONRIKIC-UHFFFAOYSA-N 2 2 291.439 3.329 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCCC23CC3)ccc1-n1cc[nH+]c1 ZINC000575072824 377747491 /nfs/dbraw/zinc/74/74/91/377747491.db2.gz KNUCHFRMVFDMII-MRXNPFEDSA-N 2 2 285.366 3.434 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581617 377820870 /nfs/dbraw/zinc/82/08/70/377820870.db2.gz QUVBVLMYCNHVKM-UWVGGRQHSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581617 377820873 /nfs/dbraw/zinc/82/08/73/377820873.db2.gz QUVBVLMYCNHVKM-UWVGGRQHSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929590 377862683 /nfs/dbraw/zinc/86/26/83/377862683.db2.gz FYJYUGBTOGTCJG-KGLIPLIRSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929590 377862688 /nfs/dbraw/zinc/86/26/88/377862688.db2.gz FYJYUGBTOGTCJG-KGLIPLIRSA-N 2 2 257.381 3.345 20 0 CGADLP [NH3+]C1CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000261925392 377869325 /nfs/dbraw/zinc/86/93/25/377869325.db2.gz KYGYNLVHLAHRTD-UHFFFAOYSA-N 2 2 294.826 3.052 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@H]1[NH3+] ZINC000262022360 377880743 /nfs/dbraw/zinc/88/07/43/377880743.db2.gz NHXPXJCYCYHPPF-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@H]1[NH3+] ZINC000262022360 377880749 /nfs/dbraw/zinc/88/07/49/377880749.db2.gz NHXPXJCYCYHPPF-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262125358 377888689 /nfs/dbraw/zinc/88/86/89/377888689.db2.gz XQVUZWRTCPZRCA-KSSFIOAISA-N 2 2 296.414 3.141 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262125358 377888693 /nfs/dbraw/zinc/88/86/93/377888693.db2.gz XQVUZWRTCPZRCA-KSSFIOAISA-N 2 2 296.414 3.141 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(F)cc2CSC)[C@@H](C)C1 ZINC000342860377 377842717 /nfs/dbraw/zinc/84/27/17/377842717.db2.gz IWCXOZBBCLXVFJ-LRDDRELGSA-N 2 2 296.455 3.119 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(F)cc2CSC)[C@@H](C)C1 ZINC000342860377 377842721 /nfs/dbraw/zinc/84/27/21/377842721.db2.gz IWCXOZBBCLXVFJ-LRDDRELGSA-N 2 2 296.455 3.119 20 0 CGADLP CCCc1csc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)n1 ZINC000261766522 377851328 /nfs/dbraw/zinc/85/13/28/377851328.db2.gz DHUBZYYRCAGNHR-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1csc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)n1 ZINC000261766522 377851333 /nfs/dbraw/zinc/85/13/33/377851333.db2.gz DHUBZYYRCAGNHR-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1csc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)n1 ZINC000261766523 377851377 /nfs/dbraw/zinc/85/13/77/377851377.db2.gz DHUBZYYRCAGNHR-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1csc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)n1 ZINC000261766523 377851381 /nfs/dbraw/zinc/85/13/81/377851381.db2.gz DHUBZYYRCAGNHR-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000343313938 377949973 /nfs/dbraw/zinc/94/99/73/377949973.db2.gz KXZFKXPUNRKMEK-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000343313938 377949977 /nfs/dbraw/zinc/94/99/77/377949977.db2.gz KXZFKXPUNRKMEK-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+](C)C3CC3)c2c1 ZINC000575396428 377903837 /nfs/dbraw/zinc/90/38/37/377903837.db2.gz RUBJBKVHUXEBNX-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+](C)C3CC3)c2c1 ZINC000575396428 377903847 /nfs/dbraw/zinc/90/38/47/377903847.db2.gz RUBJBKVHUXEBNX-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576033240 378009262 /nfs/dbraw/zinc/00/92/62/378009262.db2.gz FQOLUUZVZCUCGG-YGRLFVJLSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576033240 378009266 /nfs/dbraw/zinc/00/92/66/378009266.db2.gz FQOLUUZVZCUCGG-YGRLFVJLSA-N 2 2 287.794 3.198 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000343749333 378082639 /nfs/dbraw/zinc/08/26/39/378082639.db2.gz LUDAEMVXFVSLDT-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000343749333 378082645 /nfs/dbraw/zinc/08/26/45/378082645.db2.gz LUDAEMVXFVSLDT-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343560944 378021532 /nfs/dbraw/zinc/02/15/32/378021532.db2.gz HMSIMIFQHTUNGJ-YJBOKZPZSA-N 2 2 290.451 3.043 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343560944 378021536 /nfs/dbraw/zinc/02/15/36/378021536.db2.gz HMSIMIFQHTUNGJ-YJBOKZPZSA-N 2 2 290.451 3.043 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC(C)(C)[NH+](C)C)c2c1 ZINC000579224737 378140935 /nfs/dbraw/zinc/14/09/35/378140935.db2.gz CHJQXWBQXZQYRC-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268736492 378098358 /nfs/dbraw/zinc/09/83/58/378098358.db2.gz BZLRCTYLTVROQX-CABCVRRESA-N 2 2 271.408 3.456 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@@H]1CCCc2ccc(F)cc21 ZINC000579732904 378189507 /nfs/dbraw/zinc/18/95/07/378189507.db2.gz BKKYALAOWBUAFN-LKGZKJKYSA-N 2 2 288.410 3.406 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@@H]1CCCc2ccc(F)cc21 ZINC000579732904 378189510 /nfs/dbraw/zinc/18/95/10/378189510.db2.gz BKKYALAOWBUAFN-LKGZKJKYSA-N 2 2 288.410 3.406 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@H]1CCCc2ccc(F)cc21 ZINC000579732905 378189981 /nfs/dbraw/zinc/18/99/81/378189981.db2.gz BKKYALAOWBUAFN-VXVMZULRSA-N 2 2 288.410 3.406 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@H]1CCCc2ccc(F)cc21 ZINC000579732905 378189988 /nfs/dbraw/zinc/18/99/88/378189988.db2.gz BKKYALAOWBUAFN-VXVMZULRSA-N 2 2 288.410 3.406 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000344113764 378159294 /nfs/dbraw/zinc/15/92/94/378159294.db2.gz MOZGQMMFXVSJHC-KURKYZTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000344113764 378159300 /nfs/dbraw/zinc/15/93/00/378159300.db2.gz MOZGQMMFXVSJHC-KURKYZTESA-N 2 2 288.410 3.420 20 0 CGADLP CC[N@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC[NH2+]CC1 ZINC000345196067 378221045 /nfs/dbraw/zinc/22/10/45/378221045.db2.gz COALJHSSSAEMBC-KRWDZBQOSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC[NH2+]CC1 ZINC000345196067 378221050 /nfs/dbraw/zinc/22/10/50/378221050.db2.gz COALJHSSSAEMBC-KRWDZBQOSA-N 2 2 299.418 3.306 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000344184462 378162286 /nfs/dbraw/zinc/16/22/86/378162286.db2.gz ATPUXXCZACPFNH-YVEFUNNKSA-N 2 2 285.435 3.133 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000344184462 378162294 /nfs/dbraw/zinc/16/22/94/378162294.db2.gz ATPUXXCZACPFNH-YVEFUNNKSA-N 2 2 285.435 3.133 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000268965553 378163749 /nfs/dbraw/zinc/16/37/49/378163749.db2.gz KVKBXICQOIGKEZ-INIZCTEOSA-N 2 2 297.402 3.064 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cnn1C(C)(C)C ZINC000345301575 378249020 /nfs/dbraw/zinc/24/90/20/378249020.db2.gz ZZXDKOMWBIOWSG-IPYPFGDCSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1C(C)(C)C ZINC000345301575 378249023 /nfs/dbraw/zinc/24/90/23/378249023.db2.gz ZZXDKOMWBIOWSG-IPYPFGDCSA-N 2 2 292.471 3.080 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785813 378257647 /nfs/dbraw/zinc/25/76/47/378257647.db2.gz PENTXQVBFDUVIB-FXXCCUJSSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785813 378257653 /nfs/dbraw/zinc/25/76/53/378257653.db2.gz PENTXQVBFDUVIB-FXXCCUJSSA-N 2 2 270.420 3.210 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591841 378333812 /nfs/dbraw/zinc/33/38/12/378333812.db2.gz ILJMLLWRCVFPHZ-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591841 378333818 /nfs/dbraw/zinc/33/38/18/378333818.db2.gz ILJMLLWRCVFPHZ-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591841 378333821 /nfs/dbraw/zinc/33/38/21/378333821.db2.gz ILJMLLWRCVFPHZ-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591841 378333828 /nfs/dbraw/zinc/33/38/28/378333828.db2.gz ILJMLLWRCVFPHZ-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000270843208 378404445 /nfs/dbraw/zinc/40/44/45/378404445.db2.gz GGXPCNZHHIJMKU-UHFFFAOYSA-N 2 2 297.324 3.427 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)CCC3CC3)c[nH+]c12 ZINC000345816554 378376880 /nfs/dbraw/zinc/37/68/80/378376880.db2.gz NLOLDUBEDQDCKH-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000270625323 378377488 /nfs/dbraw/zinc/37/74/88/378377488.db2.gz FIPFTQUHWKFMFX-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000270625323 378377494 /nfs/dbraw/zinc/37/74/94/378377494.db2.gz FIPFTQUHWKFMFX-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cscn1 ZINC000271024128 378430200 /nfs/dbraw/zinc/43/02/00/378430200.db2.gz AVRFHPDAHWIEAA-LLVKDONJSA-N 2 2 293.411 3.195 20 0 CGADLP FC(F)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346225687 378511742 /nfs/dbraw/zinc/51/17/42/378511742.db2.gz SEAKAVVQOWEGGO-UHFFFAOYSA-N 2 2 297.374 3.411 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC000346494257 378595863 /nfs/dbraw/zinc/59/58/63/378595863.db2.gz TYJUEXXJJBHJTL-IXDOHACOSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C)o1 ZINC000272263349 378598725 /nfs/dbraw/zinc/59/87/25/378598725.db2.gz JOZKMJZLUROHGU-HNNXBMFYSA-N 2 2 299.374 3.103 20 0 CGADLP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)cc[nH+]1 ZINC000266140875 190234152 /nfs/dbraw/zinc/23/41/52/190234152.db2.gz HAGYCPSZDPMIBE-ZDUSSCGKSA-N 2 2 288.420 3.096 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642421 378658313 /nfs/dbraw/zinc/65/83/13/378658313.db2.gz MDOCUSDJAYEDHU-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642421 378658322 /nfs/dbraw/zinc/65/83/22/378658322.db2.gz MDOCUSDJAYEDHU-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000346681035 378672549 /nfs/dbraw/zinc/67/25/49/378672549.db2.gz OBYSAELBHFLILI-HNNXBMFYSA-N 2 2 272.392 3.233 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000346681035 378672554 /nfs/dbraw/zinc/67/25/54/378672554.db2.gz OBYSAELBHFLILI-HNNXBMFYSA-N 2 2 272.392 3.233 20 0 CGADLP COc1ccc2cc(C[N@H+](C)CCn3cc[nH+]c3)ccc2c1 ZINC000272632916 378681084 /nfs/dbraw/zinc/68/10/84/378681084.db2.gz MEVLNJCLXJYTEP-UHFFFAOYSA-N 2 2 295.386 3.177 20 0 CGADLP COc1ccc2cc(C[N@@H+](C)CCn3cc[nH+]c3)ccc2c1 ZINC000272632916 378681087 /nfs/dbraw/zinc/68/10/87/378681087.db2.gz MEVLNJCLXJYTEP-UHFFFAOYSA-N 2 2 295.386 3.177 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000638284724 378753983 /nfs/dbraw/zinc/75/39/83/378753983.db2.gz CRDFCETZAFVCFS-JKSUJKDBSA-N 2 2 261.413 3.388 20 0 CGADLP COc1ccc(C)cc1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000347927238 378731243 /nfs/dbraw/zinc/73/12/43/378731243.db2.gz CDEUPZQIIVXMJJ-UHFFFAOYSA-N 2 2 298.430 3.472 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000638345614 378773452 /nfs/dbraw/zinc/77/34/52/378773452.db2.gz WZJHMLJDQZMRQH-GBEXYDAJSA-N 2 2 281.403 3.067 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000348071790 378777407 /nfs/dbraw/zinc/77/74/07/378777407.db2.gz FJBLNGXXIJHEHC-UHFFFAOYSA-N 2 2 290.436 3.087 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274183568 378788985 /nfs/dbraw/zinc/78/89/85/378788985.db2.gz DQIJKSYRQWNKJU-HZPDHXFCSA-N 2 2 276.424 3.114 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638419004 378796622 /nfs/dbraw/zinc/79/66/22/378796622.db2.gz HOGYWFIMWUDPRE-YPMHNXCESA-N 2 2 277.318 3.006 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)s1 ZINC000346798608 218016826 /nfs/dbraw/zinc/01/68/26/218016826.db2.gz PUGJMJJQJGGNAL-OBJOEFQTSA-N 2 2 266.454 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)s1 ZINC000346798608 218016829 /nfs/dbraw/zinc/01/68/29/218016829.db2.gz PUGJMJJQJGGNAL-OBJOEFQTSA-N 2 2 266.454 3.444 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CC1(F)F ZINC000638441878 378804189 /nfs/dbraw/zinc/80/41/89/378804189.db2.gz KJMVPLQIXCHGKV-MNOVXSKESA-N 2 2 279.334 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC(F)(F)CC1 ZINC000348148690 378813160 /nfs/dbraw/zinc/81/31/60/378813160.db2.gz ZQKMFYKKVOGBHK-UHFFFAOYSA-N 2 2 268.351 3.490 20 0 CGADLP Cc1[nH+]ccn1CCCNc1ccc2ccccc2[nH+]1 ZINC000266226427 190241438 /nfs/dbraw/zinc/24/14/38/190241438.db2.gz INGKDIPFBLEXNS-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP COc1ccccc1/C=C/C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000346848810 218035442 /nfs/dbraw/zinc/03/54/42/218035442.db2.gz RLFHQBUFABFZTN-YRNVUSSQSA-N 2 2 296.414 3.169 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000346848810 218035445 /nfs/dbraw/zinc/03/54/45/218035445.db2.gz RLFHQBUFABFZTN-YRNVUSSQSA-N 2 2 296.414 3.169 20 0 CGADLP c1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)onc1C1CC1 ZINC000638733645 378892972 /nfs/dbraw/zinc/89/29/72/378892972.db2.gz IQNMIFRXKIGNMH-UHFFFAOYSA-N 2 2 289.423 3.049 20 0 CGADLP CC(C)SCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348302146 378895752 /nfs/dbraw/zinc/89/57/52/378895752.db2.gz LYSMQHPOSQCPLD-WBVHZDCISA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)SCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348302146 378895759 /nfs/dbraw/zinc/89/57/59/378895759.db2.gz LYSMQHPOSQCPLD-WBVHZDCISA-N 2 2 292.492 3.238 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000348265552 378873462 /nfs/dbraw/zinc/87/34/62/378873462.db2.gz WPRLHOBTAKGQFX-SJORKVTESA-N 2 2 281.403 3.277 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000346989887 218081450 /nfs/dbraw/zinc/08/14/50/218081450.db2.gz HKNKLWRUTDUGNT-DOTOQJQBSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000346989887 218081451 /nfs/dbraw/zinc/08/14/51/218081451.db2.gz HKNKLWRUTDUGNT-DOTOQJQBSA-N 2 2 295.430 3.015 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000346995292 218084087 /nfs/dbraw/zinc/08/40/87/218084087.db2.gz BERYIPCYRHVKFR-UHFFFAOYSA-N 2 2 298.377 3.089 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347021870 218095436 /nfs/dbraw/zinc/09/54/36/218095436.db2.gz NXJDPKSUZDZGIM-ZDUSSCGKSA-N 2 2 288.366 3.270 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347021870 218095438 /nfs/dbraw/zinc/09/54/38/218095438.db2.gz NXJDPKSUZDZGIM-ZDUSSCGKSA-N 2 2 288.366 3.270 20 0 CGADLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000347086478 218116847 /nfs/dbraw/zinc/11/68/47/218116847.db2.gz CGHMKTQPWKAFOX-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000347086478 218116851 /nfs/dbraw/zinc/11/68/51/218116851.db2.gz CGHMKTQPWKAFOX-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347096921 218119024 /nfs/dbraw/zinc/11/90/24/218119024.db2.gz SLOKQBCMWWSFRM-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347096921 218119026 /nfs/dbraw/zinc/11/90/26/218119026.db2.gz SLOKQBCMWWSFRM-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP CCCCOc1ccccc1C[NH+]1CCC([NH2+]C)CC1 ZINC000347120651 218128874 /nfs/dbraw/zinc/12/88/74/218128874.db2.gz VTRXVLAYWKSCDT-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347076594 218113204 /nfs/dbraw/zinc/11/32/04/218113204.db2.gz HLOHXFYPTYRILL-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347076594 218113206 /nfs/dbraw/zinc/11/32/06/218113206.db2.gz HLOHXFYPTYRILL-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000347145862 218137155 /nfs/dbraw/zinc/13/71/55/218137155.db2.gz YLPASJJWOBPTBP-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP C[C@@H]1CCC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348833629 379072846 /nfs/dbraw/zinc/07/28/46/379072846.db2.gz NUIFJNKDUNMBCS-UKRRQHHQSA-N 2 2 270.380 3.317 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CCc4ccccc43)[nH+]c2)c[nH+]1 ZINC000348836408 379074849 /nfs/dbraw/zinc/07/48/49/379074849.db2.gz VYXOSUVXIRPLJB-KRWDZBQOSA-N 2 2 290.370 3.426 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161370 379079813 /nfs/dbraw/zinc/07/98/13/379079813.db2.gz CFMFSFGJKWJOGF-PBWFPOADSA-N 2 2 295.377 3.076 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161370 379079816 /nfs/dbraw/zinc/07/98/16/379079816.db2.gz CFMFSFGJKWJOGF-PBWFPOADSA-N 2 2 295.377 3.076 20 0 CGADLP C[NH+](Cc1ccc(C(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161370 379079818 /nfs/dbraw/zinc/07/98/18/379079818.db2.gz CFMFSFGJKWJOGF-PBWFPOADSA-N 2 2 295.377 3.076 20 0 CGADLP C[NH+](Cc1ccc(C(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161370 379079821 /nfs/dbraw/zinc/07/98/21/379079821.db2.gz CFMFSFGJKWJOGF-PBWFPOADSA-N 2 2 295.377 3.076 20 0 CGADLP COC1(C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000277195819 379094300 /nfs/dbraw/zinc/09/43/00/379094300.db2.gz VHMADBYACKRUHS-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000349124090 379163623 /nfs/dbraw/zinc/16/36/23/379163623.db2.gz AWCJLRGDXHNJAI-GFCCVEGCSA-N 2 2 298.365 3.030 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000349124090 379163634 /nfs/dbraw/zinc/16/36/34/379163634.db2.gz AWCJLRGDXHNJAI-GFCCVEGCSA-N 2 2 298.365 3.030 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349124022 379164610 /nfs/dbraw/zinc/16/46/10/379164610.db2.gz AONYZXCYKBKCAT-ARFHVFGLSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349124022 379164615 /nfs/dbraw/zinc/16/46/15/379164615.db2.gz AONYZXCYKBKCAT-ARFHVFGLSA-N 2 2 273.424 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000349178974 379178908 /nfs/dbraw/zinc/17/89/08/379178908.db2.gz BZOKOGCRTGWQJE-IXDOHACOSA-N 2 2 281.403 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000349178974 379178914 /nfs/dbraw/zinc/17/89/14/379178914.db2.gz BZOKOGCRTGWQJE-IXDOHACOSA-N 2 2 281.403 3.013 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c[nH+]1 ZINC000349185870 379181083 /nfs/dbraw/zinc/18/10/83/379181083.db2.gz IZGNGMHVMZDEQO-IPMKNSEASA-N 2 2 278.399 3.251 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000373039101 379212586 /nfs/dbraw/zinc/21/25/86/379212586.db2.gz ZHYNIJNYXUOJEH-ZDUSSCGKSA-N 2 2 295.496 3.357 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000373039101 379212596 /nfs/dbraw/zinc/21/25/96/379212596.db2.gz ZHYNIJNYXUOJEH-ZDUSSCGKSA-N 2 2 295.496 3.357 20 0 CGADLP CCCCC[C@@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246336458 804291113 /nfs/dbraw/zinc/29/11/13/804291113.db2.gz NFWRBFGDODSDAT-KGLIPLIRSA-N 2 2 258.475 3.030 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349311297 379225284 /nfs/dbraw/zinc/22/52/84/379225284.db2.gz CGRHONHNKPZAOC-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349311297 379225287 /nfs/dbraw/zinc/22/52/87/379225287.db2.gz CGRHONHNKPZAOC-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000328190956 284774301 /nfs/dbraw/zinc/77/43/01/284774301.db2.gz AAOZMQNGPBBRQA-DLBZAZTESA-N 2 2 290.451 3.227 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnn(C(C)C)c1 ZINC000349402938 379265841 /nfs/dbraw/zinc/26/58/41/379265841.db2.gz ALSOMIVUGUSVCQ-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnn(C(C)C)c1 ZINC000349402938 379265846 /nfs/dbraw/zinc/26/58/46/379265846.db2.gz ALSOMIVUGUSVCQ-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1 ZINC000349406074 379271195 /nfs/dbraw/zinc/27/11/95/379271195.db2.gz JUGJCFHCBPWEEI-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(Cl)c1 ZINC000349406074 379271200 /nfs/dbraw/zinc/27/12/00/379271200.db2.gz JUGJCFHCBPWEEI-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP Cc1ncccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349420012 379276170 /nfs/dbraw/zinc/27/61/70/379276170.db2.gz PVUYYPTUDLETNW-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP Cc1occc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374871 379331618 /nfs/dbraw/zinc/33/16/18/379331618.db2.gz LVSTZURZCSOZED-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000639378509 379337846 /nfs/dbraw/zinc/33/78/46/379337846.db2.gz GCMWCVXBNNQODV-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP FC(F)(F)C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000278430517 379384576 /nfs/dbraw/zinc/38/45/76/379384576.db2.gz TXGBGBONLJZZCR-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000278430517 379384581 /nfs/dbraw/zinc/38/45/81/379384581.db2.gz TXGBGBONLJZZCR-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP CCc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000349797723 379390835 /nfs/dbraw/zinc/39/08/35/379390835.db2.gz BFHSBSIOJRPWMZ-UHFFFAOYSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000349797723 379390840 /nfs/dbraw/zinc/39/08/40/379390840.db2.gz BFHSBSIOJRPWMZ-UHFFFAOYSA-N 2 2 264.413 3.147 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccon1 ZINC000349833398 379411913 /nfs/dbraw/zinc/41/19/13/379411913.db2.gz LAWBKCBARVDPEO-ZOBUZTSGSA-N 2 2 299.418 3.378 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccon1 ZINC000349833398 379411920 /nfs/dbraw/zinc/41/19/20/379411920.db2.gz LAWBKCBARVDPEO-ZOBUZTSGSA-N 2 2 299.418 3.378 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000266748235 190278033 /nfs/dbraw/zinc/27/80/33/190278033.db2.gz BNMHPCGHNMXYTM-UHFFFAOYSA-N 2 2 252.402 3.187 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)F)C2)c(C)[nH+]1 ZINC000639556397 379469877 /nfs/dbraw/zinc/46/98/77/379469877.db2.gz VLEDZJDTLUQMGE-GFCCVEGCSA-N 2 2 254.324 3.094 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](C(F)F)C2)c(C)[nH+]1 ZINC000639556397 379469885 /nfs/dbraw/zinc/46/98/85/379469885.db2.gz VLEDZJDTLUQMGE-GFCCVEGCSA-N 2 2 254.324 3.094 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C)[nH+]1 ZINC000639651738 379526608 /nfs/dbraw/zinc/52/66/08/379526608.db2.gz GOBPHDRFTJOPED-CABCVRRESA-N 2 2 280.362 3.484 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(C)[nH+]1 ZINC000639651738 379526613 /nfs/dbraw/zinc/52/66/13/379526613.db2.gz GOBPHDRFTJOPED-CABCVRRESA-N 2 2 280.362 3.484 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000279812501 379523904 /nfs/dbraw/zinc/52/39/04/379523904.db2.gz FNNMSCCKGQYYJT-APWZRJJASA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000279812501 379523912 /nfs/dbraw/zinc/52/39/12/379523912.db2.gz FNNMSCCKGQYYJT-APWZRJJASA-N 2 2 295.430 3.000 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000640015962 379687741 /nfs/dbraw/zinc/68/77/41/379687741.db2.gz POCOVDSCVQOWTO-UHFFFAOYSA-N 2 2 288.435 3.066 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377771074 379735666 /nfs/dbraw/zinc/73/56/66/379735666.db2.gz DDCOHOOTTNYBBG-MCIONIFRSA-N 2 2 261.413 3.073 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377771074 379735674 /nfs/dbraw/zinc/73/56/74/379735674.db2.gz DDCOHOOTTNYBBG-MCIONIFRSA-N 2 2 261.413 3.073 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377769390 379736129 /nfs/dbraw/zinc/73/61/29/379736129.db2.gz AMKOFMOOSXSMLG-OAHLLOKOSA-N 2 2 283.419 3.354 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377769390 379736139 /nfs/dbraw/zinc/73/61/39/379736139.db2.gz AMKOFMOOSXSMLG-OAHLLOKOSA-N 2 2 283.419 3.354 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377783501 379738417 /nfs/dbraw/zinc/73/84/17/379738417.db2.gz RQLPYGWGINZDTO-SMDDNHRTSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377783501 379738420 /nfs/dbraw/zinc/73/84/20/379738420.db2.gz RQLPYGWGINZDTO-SMDDNHRTSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377783491 379738853 /nfs/dbraw/zinc/73/88/53/379738853.db2.gz RQLPYGWGINZDTO-BXUZGUMPSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377783491 379738861 /nfs/dbraw/zinc/73/88/61/379738861.db2.gz RQLPYGWGINZDTO-BXUZGUMPSA-N 2 2 289.810 3.141 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377803790 379744065 /nfs/dbraw/zinc/74/40/65/379744065.db2.gz ZVKPKVYZNCOJJP-KQTLUZQSSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377803790 379744072 /nfs/dbraw/zinc/74/40/72/379744072.db2.gz ZVKPKVYZNCOJJP-KQTLUZQSSA-N 2 2 275.440 3.317 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377801991 379744173 /nfs/dbraw/zinc/74/41/73/379744173.db2.gz DLCXYXUGODNMSX-ZWUHOBOKSA-N 2 2 273.424 3.071 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377801991 379744181 /nfs/dbraw/zinc/74/41/81/379744181.db2.gz DLCXYXUGODNMSX-ZWUHOBOKSA-N 2 2 273.424 3.071 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000377619561 379705408 /nfs/dbraw/zinc/70/54/08/379705408.db2.gz VBOKBFMHZZBDEO-CQSZACIVSA-N 2 2 272.396 3.039 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000377627638 379708827 /nfs/dbraw/zinc/70/88/27/379708827.db2.gz QCWQCZQFSKGTQJ-MSOLQXFVSA-N 2 2 288.435 3.117 20 0 CGADLP COCC[C@@H]1CCCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377631084 379711084 /nfs/dbraw/zinc/71/10/84/379711084.db2.gz VOQOPHAWZRWOIA-KRWDZBQOSA-N 2 2 290.451 3.461 20 0 CGADLP COCC[C@@H]1CCCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377631084 379711091 /nfs/dbraw/zinc/71/10/91/379711091.db2.gz VOQOPHAWZRWOIA-KRWDZBQOSA-N 2 2 290.451 3.461 20 0 CGADLP C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280850468 379807043 /nfs/dbraw/zinc/80/70/43/379807043.db2.gz BMGGJFCYSGWOOL-WMLDXEAASA-N 2 2 299.418 3.074 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352344946 379772109 /nfs/dbraw/zinc/77/21/09/379772109.db2.gz HUKRYTGLWPMZMS-CQSZACIVSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352344946 379772113 /nfs/dbraw/zinc/77/21/13/379772113.db2.gz HUKRYTGLWPMZMS-CQSZACIVSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H](F)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359705 379778321 /nfs/dbraw/zinc/77/83/21/379778321.db2.gz BQNILXVRZSXQQU-ZIAGYGMSSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@@H](F)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359705 379778326 /nfs/dbraw/zinc/77/83/26/379778326.db2.gz BQNILXVRZSXQQU-ZIAGYGMSSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@H]1[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000389798429 379903209 /nfs/dbraw/zinc/90/32/09/379903209.db2.gz AMMKYCSDLSBTOB-GRLWTPEZSA-N 2 2 272.436 3.141 20 0 CGADLP C[C@H]1[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000389798429 379903218 /nfs/dbraw/zinc/90/32/18/379903218.db2.gz AMMKYCSDLSBTOB-GRLWTPEZSA-N 2 2 272.436 3.141 20 0 CGADLP CC[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347855413 218379501 /nfs/dbraw/zinc/37/95/01/218379501.db2.gz NAVBVAFNZGMBJK-CYBMUJFWSA-N 2 2 281.469 3.217 20 0 CGADLP CC[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347855413 218379503 /nfs/dbraw/zinc/37/95/03/218379503.db2.gz NAVBVAFNZGMBJK-CYBMUJFWSA-N 2 2 281.469 3.217 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000352806919 379971919 /nfs/dbraw/zinc/97/19/19/379971919.db2.gz BEYZUCDXJAHLKQ-YDHLFZDLSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000352806919 379971924 /nfs/dbraw/zinc/97/19/24/379971924.db2.gz BEYZUCDXJAHLKQ-YDHLFZDLSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000352810378 379973626 /nfs/dbraw/zinc/97/36/26/379973626.db2.gz MRMDLVYUTARXKX-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000352810378 379973634 /nfs/dbraw/zinc/97/36/34/379973634.db2.gz MRMDLVYUTARXKX-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000352822043 379983524 /nfs/dbraw/zinc/98/35/24/379983524.db2.gz IYDUFTRDBHUSMC-TUUVXOQKSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000352822043 379983528 /nfs/dbraw/zinc/98/35/28/379983528.db2.gz IYDUFTRDBHUSMC-TUUVXOQKSA-N 2 2 250.430 3.051 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031192 379933039 /nfs/dbraw/zinc/93/30/39/379933039.db2.gz LXFNCNMTVABDEB-GYSYKLTISA-N 2 2 252.789 3.131 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)Cn1cc[nH+]c1 ZINC000352754135 379940555 /nfs/dbraw/zinc/94/05/55/379940555.db2.gz GPOKWMMSLBUBIY-XQJDBVBESA-N 2 2 291.345 3.100 20 0 CGADLP CC[N@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000352823592 379984104 /nfs/dbraw/zinc/98/41/04/379984104.db2.gz ODNDOHYEFDETHG-QBFSEMIESA-N 2 2 298.377 3.233 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000352823592 379984109 /nfs/dbraw/zinc/98/41/09/379984109.db2.gz ODNDOHYEFDETHG-QBFSEMIESA-N 2 2 298.377 3.233 20 0 CGADLP CC(=O)Nc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000347876447 218386577 /nfs/dbraw/zinc/38/65/77/218386577.db2.gz KMVUYABOILBZPH-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000352859943 380009971 /nfs/dbraw/zinc/00/99/71/380009971.db2.gz VUWQVTYCFQPACC-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)s1 ZINC000352859943 380009977 /nfs/dbraw/zinc/00/99/77/380009977.db2.gz VUWQVTYCFQPACC-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC(C)[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347877393 218386972 /nfs/dbraw/zinc/38/69/72/218386972.db2.gz LACDHLJSSSWMDG-CQSZACIVSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347877393 218386974 /nfs/dbraw/zinc/38/69/74/218386974.db2.gz LACDHLJSSSWMDG-CQSZACIVSA-N 2 2 281.469 3.215 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000641792548 380105297 /nfs/dbraw/zinc/10/52/97/380105297.db2.gz XBNXHMNURUKBLH-MNOVXSKESA-N 2 2 279.334 3.485 20 0 CGADLP Clc1cccc2c(N3CC[C@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643031622 380205880 /nfs/dbraw/zinc/20/58/80/380205880.db2.gz TYMFQQDEGHTXFT-RISCZKNCSA-N 2 2 287.794 3.076 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411979540 380157524 /nfs/dbraw/zinc/15/75/24/380157524.db2.gz IDKWIEAQZSGMMQ-SFHVURJKSA-N 2 2 295.430 3.232 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411979540 380157526 /nfs/dbraw/zinc/15/75/26/380157526.db2.gz IDKWIEAQZSGMMQ-SFHVURJKSA-N 2 2 295.430 3.232 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000353980186 380262276 /nfs/dbraw/zinc/26/22/76/380262276.db2.gz AEHKWKWORREMOO-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000353980186 380262281 /nfs/dbraw/zinc/26/22/81/380262281.db2.gz AEHKWKWORREMOO-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[C@H](C)[N@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500169 380211200 /nfs/dbraw/zinc/21/12/00/380211200.db2.gz WSYJUNYBNCPIQH-HOCLYGCPSA-N 2 2 292.471 3.351 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500169 380211211 /nfs/dbraw/zinc/21/12/11/380211211.db2.gz WSYJUNYBNCPIQH-HOCLYGCPSA-N 2 2 292.471 3.351 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000353931820 380242522 /nfs/dbraw/zinc/24/25/22/380242522.db2.gz KMPGLICZRVWWCQ-KFWWJZLASA-N 2 2 263.429 3.466 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000414557664 380319942 /nfs/dbraw/zinc/31/99/42/380319942.db2.gz XMFZSIWJMDRLSU-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000414557664 380319948 /nfs/dbraw/zinc/31/99/48/380319948.db2.gz XMFZSIWJMDRLSU-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(C)s1 ZINC000643498641 380321095 /nfs/dbraw/zinc/32/10/95/380321095.db2.gz PLOKPQKUVRZIKR-NSHDSACASA-N 2 2 281.469 3.462 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccsc2S1 ZINC000643501324 380322346 /nfs/dbraw/zinc/32/23/46/380322346.db2.gz CVXLVFIBARAXIP-GMXVVIOVSA-N 2 2 282.478 3.405 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643501005 380322806 /nfs/dbraw/zinc/32/28/06/380322806.db2.gz OZGUKWYRTOFGHF-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1F ZINC000643501952 380324205 /nfs/dbraw/zinc/32/42/05/380324205.db2.gz USSJHUFDLNRKSN-IUODEOHRSA-N 2 2 250.361 3.009 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1SC ZINC000643502073 380325060 /nfs/dbraw/zinc/32/50/60/380325060.db2.gz XAUUCJIEVKADKX-OCCSQVGLSA-N 2 2 294.464 3.210 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643503008 380326502 /nfs/dbraw/zinc/32/65/02/380326502.db2.gz YGBCRAZSSJJMIY-KGLIPLIRSA-N 2 2 252.427 3.321 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502703 380326777 /nfs/dbraw/zinc/32/67/77/380326777.db2.gz OKUIGUFVCGHEJP-GUYCJALGSA-N 2 2 283.419 3.277 20 0 CGADLP Clc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507086 380330747 /nfs/dbraw/zinc/33/07/47/380330747.db2.gz RPPGBZNRKMTPPS-OAHLLOKOSA-N 2 2 264.800 3.133 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000643508839 380331995 /nfs/dbraw/zinc/33/19/95/380331995.db2.gz GPPHNXSXAQMNEM-SUMWQHHRSA-N 2 2 269.392 3.049 20 0 CGADLP COCC1CCC([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000414512365 380286453 /nfs/dbraw/zinc/28/64/53/380286453.db2.gz MZIKNDOGOVGBKP-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1F ZINC000414511972 380286891 /nfs/dbraw/zinc/28/68/91/380286891.db2.gz LTNBOSZLGBMPAC-HUUCEWRRSA-N 2 2 250.361 3.193 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000414533069 380305988 /nfs/dbraw/zinc/30/59/88/380305988.db2.gz BCIHVQXTUPNAML-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000414533069 380305991 /nfs/dbraw/zinc/30/59/91/380305991.db2.gz BCIHVQXTUPNAML-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703252 380381737 /nfs/dbraw/zinc/38/17/37/380381737.db2.gz JKKPOYRREGFXEO-UKRRQHHQSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703252 380381742 /nfs/dbraw/zinc/38/17/42/380381742.db2.gz JKKPOYRREGFXEO-UKRRQHHQSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCc1cccs1 ZINC000414710223 380383743 /nfs/dbraw/zinc/38/37/43/380383743.db2.gz RZYAVUWJSYTXDO-UHFFFAOYSA-N 2 2 254.443 3.001 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCc1cccs1 ZINC000414710223 380383748 /nfs/dbraw/zinc/38/37/48/380383748.db2.gz RZYAVUWJSYTXDO-UHFFFAOYSA-N 2 2 254.443 3.001 20 0 CGADLP COc1ccccc1C[N@H+](CCC[NH3+])Cc1cccs1 ZINC000414743270 380390556 /nfs/dbraw/zinc/39/05/56/380390556.db2.gz USUZXGNCMCRULM-UHFFFAOYSA-N 2 2 290.432 3.108 20 0 CGADLP COc1ccccc1C[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000414743270 380390569 /nfs/dbraw/zinc/39/05/69/380390569.db2.gz USUZXGNCMCRULM-UHFFFAOYSA-N 2 2 290.432 3.108 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000643525102 380341462 /nfs/dbraw/zinc/34/14/62/380341462.db2.gz WAVNSFVQIJTFPF-GUDVDZBRSA-N 2 2 298.430 3.387 20 0 CGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H](C)[NH3+] ZINC000643526931 380342809 /nfs/dbraw/zinc/34/28/09/380342809.db2.gz BIOOYOJKNJNTHT-FZMZJTMJSA-N 2 2 284.831 3.373 20 0 CGADLP Cc1cccc([C@@H]([NH2+]C[C@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000643527494 380343480 /nfs/dbraw/zinc/34/34/80/380343480.db2.gz NOISTLHGSAHFEW-SUMWQHHRSA-N 2 2 272.367 3.160 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000643528840 380345203 /nfs/dbraw/zinc/34/52/03/380345203.db2.gz QBDQYZJXHOUQEE-WDSKDSINSA-N 2 2 253.198 3.053 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538278 380355382 /nfs/dbraw/zinc/35/53/82/380355382.db2.gz DQDXJURQAIHHEQ-FHWLQOOXSA-N 2 2 298.405 3.374 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2ccccc2s1 ZINC000643538187 380355815 /nfs/dbraw/zinc/35/58/15/380355815.db2.gz ATUPSCLZKUOXFT-DRZSPHRISA-N 2 2 278.396 3.252 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538001 380356433 /nfs/dbraw/zinc/35/64/33/380356433.db2.gz WLIHIGPMYJCQTI-XBFCOCLRSA-N 2 2 282.428 3.149 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826027 380436453 /nfs/dbraw/zinc/43/64/53/380436453.db2.gz DRCXEHOZODKEHU-ZWKOTPCHSA-N 2 2 268.404 3.297 20 0 CGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C1CCOCC1 ZINC000354451379 380444607 /nfs/dbraw/zinc/44/46/07/380444607.db2.gz AZSQJOJJQYRWEZ-QGZVFWFLSA-N 2 2 276.424 3.117 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(O)c2)cc1 ZINC000414840714 380447672 /nfs/dbraw/zinc/44/76/72/380447672.db2.gz HCEGAQSGZSDTGH-SFHVURJKSA-N 2 2 284.403 3.305 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414781732 380402753 /nfs/dbraw/zinc/40/27/53/380402753.db2.gz CMOGWFADTPEBRW-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414781732 380402758 /nfs/dbraw/zinc/40/27/58/380402758.db2.gz CMOGWFADTPEBRW-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cccc(O)c2)c[nH+]1 ZINC000354335970 380404882 /nfs/dbraw/zinc/40/48/82/380404882.db2.gz VOSFNKMZMXOLGI-AWEZNQCLSA-N 2 2 270.376 3.379 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000354350605 380409689 /nfs/dbraw/zinc/40/96/89/380409689.db2.gz FPUJUBSWRGTOGK-VVLHAWIVSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000354350605 380409695 /nfs/dbraw/zinc/40/96/95/380409695.db2.gz FPUJUBSWRGTOGK-VVLHAWIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414934248 380495377 /nfs/dbraw/zinc/49/53/77/380495377.db2.gz BGMNKPVQEOZKKG-WCQYABFASA-N 2 2 266.454 3.276 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414938721 380497844 /nfs/dbraw/zinc/49/78/44/380497844.db2.gz DKLPOGXVEARLFK-LLVKDONJSA-N 2 2 274.330 3.101 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414938583 380497974 /nfs/dbraw/zinc/49/79/74/380497974.db2.gz FBUXOAQNQSCRRH-JQWIXIFHSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000414943840 380500924 /nfs/dbraw/zinc/50/09/24/380500924.db2.gz MXZLFWATJIDIKE-INIZCTEOSA-N 2 2 298.430 3.135 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)C(F)(F)F)c[nH+]1 ZINC000354625379 380505541 /nfs/dbraw/zinc/50/55/41/380505541.db2.gz FQGNJARQXXYBLJ-JTQLQIEISA-N 2 2 260.303 3.111 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000354643367 380511425 /nfs/dbraw/zinc/51/14/25/380511425.db2.gz FZFTXBPIGKVYRC-GFCCVEGCSA-N 2 2 289.448 3.481 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000354648969 380513472 /nfs/dbraw/zinc/51/34/72/380513472.db2.gz NQFUZWIBKDFKHM-CVEARBPZSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000354498903 380459695 /nfs/dbraw/zinc/45/96/95/380459695.db2.gz JWYTWYOQPAZKIT-KRWDZBQOSA-N 2 2 288.435 3.404 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)s2)c1 ZINC000414862235 380463342 /nfs/dbraw/zinc/46/33/42/380463342.db2.gz GZSBGHCTKHZCPK-CQSZACIVSA-N 2 2 290.407 3.396 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000414884700 380474370 /nfs/dbraw/zinc/47/43/70/380474370.db2.gz FYEAQAMQZVYWLO-SFHVURJKSA-N 2 2 284.378 3.320 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C3)s2)cc1 ZINC000414889920 380476642 /nfs/dbraw/zinc/47/66/42/380476642.db2.gz UNGWFKNQBJBROP-ZDUSSCGKSA-N 2 2 276.380 3.006 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417298312 380585320 /nfs/dbraw/zinc/58/53/20/380585320.db2.gz KWEJJLMOGYBQEX-HZSPNIEDSA-N 2 2 275.421 3.117 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC1([NH+](C)C)CC1 ZINC000645258495 380634181 /nfs/dbraw/zinc/63/41/81/380634181.db2.gz KKENGSXAKCDUQN-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000355138023 380594862 /nfs/dbraw/zinc/59/48/62/380594862.db2.gz RAXJYAHKAWFBEE-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000355138023 380594867 /nfs/dbraw/zinc/59/48/67/380594867.db2.gz RAXJYAHKAWFBEE-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417339323 380598375 /nfs/dbraw/zinc/59/83/75/380598375.db2.gz IFRBLTGRRCCQNZ-HRCADAONSA-N 2 2 290.476 3.482 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417339323 380598382 /nfs/dbraw/zinc/59/83/82/380598382.db2.gz IFRBLTGRRCCQNZ-HRCADAONSA-N 2 2 290.476 3.482 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000417358157 380606860 /nfs/dbraw/zinc/60/68/60/380606860.db2.gz SOGJQPVESJFSIO-SJORKVTESA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000418110121 380700257 /nfs/dbraw/zinc/70/02/57/380700257.db2.gz BDYNQXLRKJYSGI-GFCCVEGCSA-N 2 2 266.816 3.127 20 0 CGADLP Clc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000355600983 380724470 /nfs/dbraw/zinc/72/44/70/380724470.db2.gz RWCQUUHXRKIGQW-UHFFFAOYSA-N 2 2 268.788 3.040 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2cnccc2C)c[nH+]1 ZINC000355611189 380727494 /nfs/dbraw/zinc/72/74/94/380727494.db2.gz SOFZBPYALUAHOT-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2cnccc2C)c[nH+]1 ZINC000355611189 380727497 /nfs/dbraw/zinc/72/74/97/380727497.db2.gz SOFZBPYALUAHOT-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP C[C@@H](C[NH2+]CC1(C)CCCCCC1)Cn1cc[nH+]c1 ZINC000355665336 380743453 /nfs/dbraw/zinc/74/34/53/380743453.db2.gz HINBQLLUMNBMCG-HNNXBMFYSA-N 2 2 263.429 3.469 20 0 CGADLP CCCOc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000355684493 380752060 /nfs/dbraw/zinc/75/20/60/380752060.db2.gz VLJODHXDBLYCLM-UHFFFAOYSA-N 2 2 273.380 3.223 20 0 CGADLP Oc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000646071558 380822176 /nfs/dbraw/zinc/82/21/76/380822176.db2.gz SJOFZXQTLGWDEG-CYBMUJFWSA-N 2 2 291.782 3.079 20 0 CGADLP Oc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000646071558 380822181 /nfs/dbraw/zinc/82/21/81/380822181.db2.gz SJOFZXQTLGWDEG-CYBMUJFWSA-N 2 2 291.782 3.079 20 0 CGADLP c1cn(CC[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c[nH+]1 ZINC000646118258 380842294 /nfs/dbraw/zinc/84/22/94/380842294.db2.gz GLIRPDIVULYMJR-QGZVFWFLSA-N 2 2 279.387 3.276 20 0 CGADLP c1cn(CC[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c[nH+]1 ZINC000646118258 380842301 /nfs/dbraw/zinc/84/23/01/380842301.db2.gz GLIRPDIVULYMJR-QGZVFWFLSA-N 2 2 279.387 3.276 20 0 CGADLP CCC(CC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356865137 380909239 /nfs/dbraw/zinc/90/92/39/380909239.db2.gz LCXUHQLMSTXELF-UHFFFAOYSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356871639 380911034 /nfs/dbraw/zinc/91/10/34/380911034.db2.gz OTKYPBKSYFIHTQ-LLVKDONJSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000356893627 380924994 /nfs/dbraw/zinc/92/49/94/380924994.db2.gz LIHCEWLNWJRCGJ-LBPRGKRZSA-N 2 2 270.804 3.143 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000356893627 380924999 /nfs/dbraw/zinc/92/49/99/380924999.db2.gz LIHCEWLNWJRCGJ-LBPRGKRZSA-N 2 2 270.804 3.143 20 0 CGADLP CC[C@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986929 380973370 /nfs/dbraw/zinc/97/33/70/380973370.db2.gz ZZPCRWWXMDVGLW-BDXSIMOUSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986929 380973376 /nfs/dbraw/zinc/97/33/76/380973376.db2.gz ZZPCRWWXMDVGLW-BDXSIMOUSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000356986929 380973381 /nfs/dbraw/zinc/97/33/81/380973381.db2.gz ZZPCRWWXMDVGLW-BDXSIMOUSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCO1 ZINC000356986929 380973385 /nfs/dbraw/zinc/97/33/85/380973385.db2.gz ZZPCRWWXMDVGLW-BDXSIMOUSA-N 2 2 294.483 3.139 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000361013015 381644125 /nfs/dbraw/zinc/64/41/25/381644125.db2.gz LVUDEUKUKPOTNK-AEFFLSMTSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000361013015 381644131 /nfs/dbraw/zinc/64/41/31/381644131.db2.gz LVUDEUKUKPOTNK-AEFFLSMTSA-N 2 2 290.451 3.065 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC000361302182 381685902 /nfs/dbraw/zinc/68/59/02/381685902.db2.gz UTOXEDKRVAIYES-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC000361302182 381685905 /nfs/dbraw/zinc/68/59/05/381685905.db2.gz UTOXEDKRVAIYES-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000361432169 381742889 /nfs/dbraw/zinc/74/28/89/381742889.db2.gz JLXZIADVSHDLSA-ZDUSSCGKSA-N 2 2 290.373 3.326 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1(C)CC1 ZINC000361481915 381766814 /nfs/dbraw/zinc/76/68/14/381766814.db2.gz SELPSGZLMMDSNL-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000425360745 295642858 /nfs/dbraw/zinc/64/28/58/295642858.db2.gz SUBJMIXKWGATOB-BZUAXINKSA-N 2 2 278.465 3.081 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CS1 ZINC000227499862 542294138 /nfs/dbraw/zinc/29/41/38/542294138.db2.gz GFJQBIZYOOCQQP-HYVNUMGLSA-N 2 2 290.476 3.307 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524827 382035597 /nfs/dbraw/zinc/03/55/97/382035597.db2.gz JOYIDGDQZOUQQY-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524827 382035600 /nfs/dbraw/zinc/03/56/00/382035600.db2.gz JOYIDGDQZOUQQY-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524827 382035608 /nfs/dbraw/zinc/03/56/08/382035608.db2.gz JOYIDGDQZOUQQY-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524827 382035614 /nfs/dbraw/zinc/03/56/14/382035614.db2.gz JOYIDGDQZOUQQY-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000232672379 542306787 /nfs/dbraw/zinc/30/67/87/542306787.db2.gz HUVLOKCKPRESQM-GDBMZVCRSA-N 2 2 276.424 3.267 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCS2 ZINC000236259879 542314957 /nfs/dbraw/zinc/31/49/57/542314957.db2.gz JCKJGMSOUYWLGE-TZMCWYRMSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000365442806 382287627 /nfs/dbraw/zinc/28/76/27/382287627.db2.gz LTJKALZSSSYEHW-CYBMUJFWSA-N 2 2 255.365 3.099 20 0 CGADLP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000365442806 382287632 /nfs/dbraw/zinc/28/76/32/382287632.db2.gz LTJKALZSSSYEHW-CYBMUJFWSA-N 2 2 255.365 3.099 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250212441 542342121 /nfs/dbraw/zinc/34/21/21/542342121.db2.gz MMSKNQMCXFSZMI-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250212441 542342125 /nfs/dbraw/zinc/34/21/25/542342125.db2.gz MMSKNQMCXFSZMI-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)s1 ZINC000251088660 542345268 /nfs/dbraw/zinc/34/52/68/542345268.db2.gz VQAFAKAXUYLSOE-HZPDHXFCSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)s1 ZINC000251088660 542345271 /nfs/dbraw/zinc/34/52/71/542345271.db2.gz VQAFAKAXUYLSOE-HZPDHXFCSA-N 2 2 278.465 3.471 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000163313048 285030365 /nfs/dbraw/zinc/03/03/65/285030365.db2.gz WKJDLWHURMOJGA-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000163313048 285030370 /nfs/dbraw/zinc/03/03/70/285030370.db2.gz WKJDLWHURMOJGA-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000335301548 208142544 /nfs/dbraw/zinc/14/25/44/208142544.db2.gz OLVFPXWLNQOOAL-ZWNOBZJWSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000335301548 208142547 /nfs/dbraw/zinc/14/25/47/208142547.db2.gz OLVFPXWLNQOOAL-ZWNOBZJWSA-N 2 2 275.783 3.271 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000353746063 220297543 /nfs/dbraw/zinc/29/75/43/220297543.db2.gz KRGLKJFYEBTAQD-OAHLLOKOSA-N 2 2 257.381 3.201 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000353746063 220297546 /nfs/dbraw/zinc/29/75/46/220297546.db2.gz KRGLKJFYEBTAQD-OAHLLOKOSA-N 2 2 257.381 3.201 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCCSC3)cc2)c[nH+]1 ZINC000288503076 197096574 /nfs/dbraw/zinc/09/65/74/197096574.db2.gz SCKMBYLZLPKSLP-HNNXBMFYSA-N 2 2 287.432 3.105 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000423230978 533169262 /nfs/dbraw/zinc/16/92/62/533169262.db2.gz AHPRYKACWGAFFT-BLLLJJGKSA-N 2 2 288.366 3.185 20 0 CGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354482803 220763607 /nfs/dbraw/zinc/76/36/07/220763607.db2.gz UHRNSSOUDQWUJD-LJQANCHMSA-N 2 2 298.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000309738805 542426264 /nfs/dbraw/zinc/42/62/64/542426264.db2.gz PHCDYTOTHRLKSJ-QAPCUYQASA-N 2 2 296.414 3.145 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000309738805 542426267 /nfs/dbraw/zinc/42/62/67/542426267.db2.gz PHCDYTOTHRLKSJ-QAPCUYQASA-N 2 2 296.414 3.145 20 0 CGADLP COCCC1(C[NH2+]CC[NH+]2CCCCCC2)CCCCC1 ZINC000436274019 533206519 /nfs/dbraw/zinc/20/65/19/533206519.db2.gz LKAHQXYKNOUICX-UHFFFAOYSA-N 2 2 296.499 3.439 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)c2)c[nH+]1 ZINC000348103374 542515138 /nfs/dbraw/zinc/51/51/38/542515138.db2.gz PARKJQBHXGBLRC-DLBZAZTESA-N 2 2 267.376 3.151 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000020550994 262249708 /nfs/dbraw/zinc/24/97/08/262249708.db2.gz UBHPJTHZFAMIPG-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)C)CCC2 ZINC000353523619 542558169 /nfs/dbraw/zinc/55/81/69/542558169.db2.gz XYOYRJDVRBLHIR-ZNMIVQPWSA-N 2 2 261.413 3.093 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000367709574 533397824 /nfs/dbraw/zinc/39/78/24/533397824.db2.gz WTNPBHZZDHVWHG-INIZCTEOSA-N 2 2 299.418 3.035 20 0 CGADLP COc1c(C)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000367709574 533397826 /nfs/dbraw/zinc/39/78/26/533397826.db2.gz WTNPBHZZDHVWHG-INIZCTEOSA-N 2 2 299.418 3.035 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438132 533411455 /nfs/dbraw/zinc/41/14/55/533411455.db2.gz KTRRUWPQMGVXDH-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423231278 533412580 /nfs/dbraw/zinc/41/25/80/533412580.db2.gz ASBCXKMDZBOKKO-BDJLRTHQSA-N 2 2 276.330 3.315 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000441357415 533415653 /nfs/dbraw/zinc/41/56/53/533415653.db2.gz NQBBMYDLYCXTRL-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000441357415 533415658 /nfs/dbraw/zinc/41/56/58/533415658.db2.gz NQBBMYDLYCXTRL-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000423525159 533527365 /nfs/dbraw/zinc/52/73/65/533527365.db2.gz KHZDTKCDZOLZIT-JEBQAFNWSA-N 2 2 284.378 3.232 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449095879 533666471 /nfs/dbraw/zinc/66/64/71/533666471.db2.gz CEQNMTFXPDBISO-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292243 542608924 /nfs/dbraw/zinc/60/89/24/542608924.db2.gz XVJTYXLHVFDAGJ-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292243 542608929 /nfs/dbraw/zinc/60/89/29/542608929.db2.gz XVJTYXLHVFDAGJ-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414776998 542638412 /nfs/dbraw/zinc/63/84/12/542638412.db2.gz XFWSYBQJJHGIIH-KSSFIOAISA-N 2 2 266.388 3.275 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414776998 542638415 /nfs/dbraw/zinc/63/84/15/542638415.db2.gz XFWSYBQJJHGIIH-KSSFIOAISA-N 2 2 266.388 3.275 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054467795 392093359 /nfs/dbraw/zinc/09/33/59/392093359.db2.gz OTVXQMCHJSOTBB-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054467795 392093366 /nfs/dbraw/zinc/09/33/66/392093366.db2.gz OTVXQMCHJSOTBB-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000054110418 392088498 /nfs/dbraw/zinc/08/84/98/392088498.db2.gz QKCSAQDOSQENMY-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000054110418 392088501 /nfs/dbraw/zinc/08/85/01/392088501.db2.gz QKCSAQDOSQENMY-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP Cc1cnc(CC[N@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000361798070 392325717 /nfs/dbraw/zinc/32/57/17/392325717.db2.gz LOSBCAXCMYCNRL-UHFFFAOYSA-N 2 2 289.448 3.262 20 0 CGADLP Cc1cnc(CC[N@@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000361798070 392325720 /nfs/dbraw/zinc/32/57/20/392325720.db2.gz LOSBCAXCMYCNRL-UHFFFAOYSA-N 2 2 289.448 3.262 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000290489796 392447428 /nfs/dbraw/zinc/44/74/28/392447428.db2.gz VUUCODJMAUKPMP-IRXDYDNUSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000290489796 392447430 /nfs/dbraw/zinc/44/74/30/392447430.db2.gz VUUCODJMAUKPMP-IRXDYDNUSA-N 2 2 290.451 3.052 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287600349 392401264 /nfs/dbraw/zinc/40/12/64/392401264.db2.gz RXYRCPXAZHMTLP-NEPJUHHUSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287600349 392401270 /nfs/dbraw/zinc/40/12/70/392401270.db2.gz RXYRCPXAZHMTLP-NEPJUHHUSA-N 2 2 282.428 3.120 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3Cl)C2)C1 ZINC000293054596 392518679 /nfs/dbraw/zinc/51/86/79/392518679.db2.gz UFLVZVOTHXZPKK-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3Cl)C2)C1 ZINC000293054596 392518685 /nfs/dbraw/zinc/51/86/85/392518685.db2.gz UFLVZVOTHXZPKK-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3sccc3Cl)C2)C1 ZINC000293054596 392518691 /nfs/dbraw/zinc/51/86/91/392518691.db2.gz UFLVZVOTHXZPKK-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000293054596 392518696 /nfs/dbraw/zinc/51/86/96/392518696.db2.gz UFLVZVOTHXZPKK-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000291779639 392480560 /nfs/dbraw/zinc/48/05/60/392480560.db2.gz UUMGPSJJLMKDQN-CJNGLKHVSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000291779639 392480564 /nfs/dbraw/zinc/48/05/64/392480564.db2.gz UUMGPSJJLMKDQN-CJNGLKHVSA-N 2 2 294.389 3.284 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000152112476 392496809 /nfs/dbraw/zinc/49/68/09/392496809.db2.gz SFZUNACDYOWQKA-QGZVFWFLSA-N 2 2 271.408 3.456 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152220756 392500316 /nfs/dbraw/zinc/50/03/16/392500316.db2.gz KYRZWMADWWIGHD-KGLIPLIRSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(C)(C)C ZINC000152257393 392501291 /nfs/dbraw/zinc/50/12/91/392501291.db2.gz DQNLNEUSIIMVLF-ZDUSSCGKSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000153324060 392513490 /nfs/dbraw/zinc/51/34/90/392513490.db2.gz QCTSNCRXTXNGSJ-GFCCVEGCSA-N 2 2 293.374 3.452 20 0 CGADLP C[C@@H](Cc1ccccc1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372272609 392597471 /nfs/dbraw/zinc/59/74/71/392597471.db2.gz IIOKURILSCIPDT-HNNXBMFYSA-N 2 2 283.419 3.468 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000156556302 392548356 /nfs/dbraw/zinc/54/83/56/392548356.db2.gz REKWESCHEREUEK-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(OC)c1 ZINC000156556302 392548359 /nfs/dbraw/zinc/54/83/59/392548359.db2.gz REKWESCHEREUEK-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2Cl)CC1 ZINC000372950724 392649073 /nfs/dbraw/zinc/64/90/73/392649073.db2.gz DXKQDMFLARVXKX-AWEZNQCLSA-N 2 2 296.842 3.135 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)CC1 ZINC000372950724 392649078 /nfs/dbraw/zinc/64/90/78/392649078.db2.gz DXKQDMFLARVXKX-AWEZNQCLSA-N 2 2 296.842 3.135 20 0 CGADLP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553727 392767307 /nfs/dbraw/zinc/76/73/07/392767307.db2.gz IFJDTMVNTDSPBF-KRWDZBQOSA-N 2 2 270.420 3.328 20 0 CGADLP CC[C@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000647497616 392740534 /nfs/dbraw/zinc/74/05/34/392740534.db2.gz NXCUUBXOZOWCFI-NHYWBVRUSA-N 2 2 284.806 3.347 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000647497616 392740538 /nfs/dbraw/zinc/74/05/38/392740538.db2.gz NXCUUBXOZOWCFI-NHYWBVRUSA-N 2 2 284.806 3.347 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647532938 392753157 /nfs/dbraw/zinc/75/31/57/392753157.db2.gz HYNIUJOHUGOMPW-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647532938 392753164 /nfs/dbraw/zinc/75/31/64/392753164.db2.gz HYNIUJOHUGOMPW-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000647534145 392756512 /nfs/dbraw/zinc/75/65/12/392756512.db2.gz HMWGNIMNGKOXEJ-UKRRQHHQSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000647534145 392756517 /nfs/dbraw/zinc/75/65/17/392756517.db2.gz HMWGNIMNGKOXEJ-UKRRQHHQSA-N 2 2 298.352 3.198 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC3CCCCCC3)CC2)CCO1 ZINC000179346320 392698622 /nfs/dbraw/zinc/69/86/22/392698622.db2.gz OXCBEPACISFYGH-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1C[N@H+](C2CC[NH+](CC3CCCCCC3)CC2)CCO1 ZINC000179346320 392698632 /nfs/dbraw/zinc/69/86/32/392698632.db2.gz OXCBEPACISFYGH-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCCOCc3ccccc3)CC2)[nH+]1 ZINC000374934059 392720071 /nfs/dbraw/zinc/72/00/71/392720071.db2.gz TVSZRLKKHCLPQN-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000335347841 392789187 /nfs/dbraw/zinc/78/91/87/392789187.db2.gz BMENDWRLYJNKKN-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000335347841 392789192 /nfs/dbraw/zinc/78/91/92/392789192.db2.gz BMENDWRLYJNKKN-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588893 392841079 /nfs/dbraw/zinc/84/10/79/392841079.db2.gz SVBAQFPOAZSHEJ-OXQOHEQNSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588893 392841084 /nfs/dbraw/zinc/84/10/84/392841084.db2.gz SVBAQFPOAZSHEJ-OXQOHEQNSA-N 2 2 294.442 3.358 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000510738910 392813223 /nfs/dbraw/zinc/81/32/23/392813223.db2.gz VTSQDYGKFUWNQS-BZUAXINKSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000335764596 392815959 /nfs/dbraw/zinc/81/59/59/392815959.db2.gz RNVNGDCMNZFCMW-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000335764596 392815960 /nfs/dbraw/zinc/81/59/60/392815960.db2.gz RNVNGDCMNZFCMW-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000510991196 392822688 /nfs/dbraw/zinc/82/26/88/392822688.db2.gz HFUWAEIULGASSM-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP Oc1ccc([N@H+](CCc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886808 392826791 /nfs/dbraw/zinc/82/67/91/392826791.db2.gz XIZOMINJOVHHOB-QGZVFWFLSA-N 2 2 296.414 3.051 20 0 CGADLP Oc1ccc([N@@H+](CCc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886808 392826794 /nfs/dbraw/zinc/82/67/94/392826794.db2.gz XIZOMINJOVHHOB-QGZVFWFLSA-N 2 2 296.414 3.051 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382048841 392916587 /nfs/dbraw/zinc/91/65/87/392916587.db2.gz FKECTENMUOONAV-BKAAIYKLSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)[N@H+](C)C1CC1 ZINC000192833008 392862614 /nfs/dbraw/zinc/86/26/14/392862614.db2.gz RNSAFKKUDUDVOG-SUMWQHHRSA-N 2 2 273.424 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)[N@@H+](C)C1CC1 ZINC000192833008 392862617 /nfs/dbraw/zinc/86/26/17/392862617.db2.gz RNSAFKKUDUDVOG-SUMWQHHRSA-N 2 2 273.424 3.006 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c[nH+]1 ZINC000648048318 392883306 /nfs/dbraw/zinc/88/33/06/392883306.db2.gz YDVNJRFRWLJWSY-ZWKOTPCHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c[nH+]1 ZINC000648048318 392883311 /nfs/dbraw/zinc/88/33/11/392883311.db2.gz YDVNJRFRWLJWSY-ZWKOTPCHSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000338788757 392928001 /nfs/dbraw/zinc/92/80/01/392928001.db2.gz LWAPFLKBQIEAGU-DFEHZGFQSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000338788757 392928007 /nfs/dbraw/zinc/92/80/07/392928007.db2.gz LWAPFLKBQIEAGU-DFEHZGFQSA-N 2 2 272.436 3.251 20 0 CGADLP COc1cccc2c(N[C@@H](C)C[N@H+](C)C(C)C)cc[nH+]c12 ZINC000521947932 392929642 /nfs/dbraw/zinc/92/96/42/392929642.db2.gz NRLJEXPQWXWLTG-ZDUSSCGKSA-N 2 2 287.407 3.384 20 0 CGADLP COc1cccc2c(N[C@@H](C)C[N@@H+](C)C(C)C)cc[nH+]c12 ZINC000521947932 392929648 /nfs/dbraw/zinc/92/96/48/392929648.db2.gz NRLJEXPQWXWLTG-ZDUSSCGKSA-N 2 2 287.407 3.384 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494440055 542720421 /nfs/dbraw/zinc/72/04/21/542720421.db2.gz WMGBNGUGSNSLBQ-LSDHHAIUSA-N 2 2 263.429 3.394 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000513691529 542732863 /nfs/dbraw/zinc/73/28/63/542732863.db2.gz VFQONNKKRRJOBE-ZWKOTPCHSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513756372 542732899 /nfs/dbraw/zinc/73/28/99/542732899.db2.gz XHTYNGPCWGORPQ-BZSNNMDCSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513756372 542732902 /nfs/dbraw/zinc/73/29/02/542732902.db2.gz XHTYNGPCWGORPQ-BZSNNMDCSA-N 2 2 272.436 3.285 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340166432 392966223 /nfs/dbraw/zinc/96/62/23/392966223.db2.gz PIDKVQUOOSXDRL-ZWKOTPCHSA-N 2 2 281.403 3.007 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340166432 392966229 /nfs/dbraw/zinc/96/62/29/392966229.db2.gz PIDKVQUOOSXDRL-ZWKOTPCHSA-N 2 2 281.403 3.007 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000217617049 392994186 /nfs/dbraw/zinc/99/41/86/392994186.db2.gz LAWXIGAGIGJDHQ-NWANDNLSSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000217617049 392994193 /nfs/dbraw/zinc/99/41/93/392994193.db2.gz LAWXIGAGIGJDHQ-NWANDNLSSA-N 2 2 250.430 3.051 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000221204632 393008076 /nfs/dbraw/zinc/00/80/76/393008076.db2.gz AYJVUERQBWXVRC-INMHGKMJSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000221204632 393008081 /nfs/dbraw/zinc/00/80/81/393008081.db2.gz AYJVUERQBWXVRC-INMHGKMJSA-N 2 2 260.425 3.382 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1CCC(C)CC1)CCC2 ZINC000343256167 393022601 /nfs/dbraw/zinc/02/26/01/393022601.db2.gz CEHSNNSDJZXELJ-BCLQGDPASA-N 2 2 275.440 3.485 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000546934488 393084347 /nfs/dbraw/zinc/08/43/47/393084347.db2.gz YDBDTKQWWJTIFH-YQQAZPJKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000546934488 393084353 /nfs/dbraw/zinc/08/43/53/393084353.db2.gz YDBDTKQWWJTIFH-YQQAZPJKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000346789955 393094947 /nfs/dbraw/zinc/09/49/47/393094947.db2.gz FHWZCKRMXDSLOX-YWPYICTPSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000346789955 393094954 /nfs/dbraw/zinc/09/49/54/393094954.db2.gz FHWZCKRMXDSLOX-YWPYICTPSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000467420602 393098568 /nfs/dbraw/zinc/09/85/68/393098568.db2.gz UTWAWZHBXNKNRM-NNFUDEMPSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000467420602 393098572 /nfs/dbraw/zinc/09/85/72/393098572.db2.gz UTWAWZHBXNKNRM-NNFUDEMPSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@H+]3CC=C(C)CC3)C2)cc1 ZINC000547284374 393103115 /nfs/dbraw/zinc/10/31/15/393103115.db2.gz XKAACNBSDRIGPU-UHFFFAOYSA-N 2 2 284.447 3.483 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@@H+]3CC=C(C)CC3)C2)cc1 ZINC000547284374 393103118 /nfs/dbraw/zinc/10/31/18/393103118.db2.gz XKAACNBSDRIGPU-UHFFFAOYSA-N 2 2 284.447 3.483 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415034203 393105085 /nfs/dbraw/zinc/10/50/85/393105085.db2.gz CILJYXWVBAUJAD-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415034203 393105090 /nfs/dbraw/zinc/10/50/90/393105090.db2.gz CILJYXWVBAUJAD-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415037631 393106490 /nfs/dbraw/zinc/10/64/90/393106490.db2.gz GWTBQKMYJDNOEV-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415037631 393106496 /nfs/dbraw/zinc/10/64/96/393106496.db2.gz GWTBQKMYJDNOEV-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414953306 393060487 /nfs/dbraw/zinc/06/04/87/393060487.db2.gz LOQFWVCJWCHNFR-XJKSGUPXSA-N 2 2 270.376 3.177 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414967472 393071906 /nfs/dbraw/zinc/07/19/06/393071906.db2.gz XILRSCJSBRGSBQ-MRXNPFEDSA-N 2 2 298.430 3.353 20 0 CGADLP Cc1cccn2c(C[NH2+]CC3CC(C)(C)C3)c[nH+]c12 ZINC000548045172 393166885 /nfs/dbraw/zinc/16/68/85/393166885.db2.gz FKUWMFBTHBRKJT-UHFFFAOYSA-N 2 2 257.381 3.169 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000415057176 393117225 /nfs/dbraw/zinc/11/72/25/393117225.db2.gz REJUDXDSLZZYRP-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415056249 393118009 /nfs/dbraw/zinc/11/80/09/393118009.db2.gz SBWHSQRXUPDPND-IUODEOHRSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415056249 393118013 /nfs/dbraw/zinc/11/80/13/393118013.db2.gz SBWHSQRXUPDPND-IUODEOHRSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056184 393118069 /nfs/dbraw/zinc/11/80/69/393118069.db2.gz RVPRUHAVUSLTTQ-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056184 393118076 /nfs/dbraw/zinc/11/80/76/393118076.db2.gz RVPRUHAVUSLTTQ-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057901 393120018 /nfs/dbraw/zinc/12/00/18/393120018.db2.gz VETXXHIFDUWDTE-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057901 393120022 /nfs/dbraw/zinc/12/00/22/393120022.db2.gz VETXXHIFDUWDTE-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251869528 393121073 /nfs/dbraw/zinc/12/10/73/393121073.db2.gz TXNXJMJYPBMOGN-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251869528 393121080 /nfs/dbraw/zinc/12/10/80/393121080.db2.gz TXNXJMJYPBMOGN-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)oc2cc1C ZINC000415064881 393123198 /nfs/dbraw/zinc/12/31/98/393123198.db2.gz FCRRPLAFEVPDOM-OAHLLOKOSA-N 2 2 272.392 3.281 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000415063787 393124202 /nfs/dbraw/zinc/12/42/02/393124202.db2.gz AYVBRQNFBIXKIS-CYBMUJFWSA-N 2 2 290.304 3.076 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415071440 393128189 /nfs/dbraw/zinc/12/81/89/393128189.db2.gz TYKWCSPQNVXNIL-CYBMUJFWSA-N 2 2 273.207 3.225 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415089401 393140321 /nfs/dbraw/zinc/14/03/21/393140321.db2.gz WNOJXXNHWJPTCB-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP Cc1csc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090661 393140851 /nfs/dbraw/zinc/14/08/51/393140851.db2.gz ZEKXQVMSHFFCPU-CABCVRRESA-N 2 2 287.432 3.034 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349326922 393144766 /nfs/dbraw/zinc/14/47/66/393144766.db2.gz FCWISACUONRELG-UHFFFAOYSA-N 2 2 298.352 3.294 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349326922 393144772 /nfs/dbraw/zinc/14/47/72/393144772.db2.gz FCWISACUONRELG-UHFFFAOYSA-N 2 2 298.352 3.294 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000468805020 393161624 /nfs/dbraw/zinc/16/16/24/393161624.db2.gz CGTZHXMWAIJCSZ-BPQIPLTHSA-N 2 2 274.452 3.041 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000468805020 393161629 /nfs/dbraw/zinc/16/16/29/393161629.db2.gz CGTZHXMWAIJCSZ-BPQIPLTHSA-N 2 2 274.452 3.041 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000269041523 393218659 /nfs/dbraw/zinc/21/86/59/393218659.db2.gz GTBDCVXBCVADIE-RWMBFGLXSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000269041523 393218665 /nfs/dbraw/zinc/21/86/65/393218665.db2.gz GTBDCVXBCVADIE-RWMBFGLXSA-N 2 2 264.438 3.332 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc(C)c1 ZINC000353502423 393223970 /nfs/dbraw/zinc/22/39/70/393223970.db2.gz LEHASBBYOQWIDY-MSOLQXFVSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc(C)c1 ZINC000353502423 393223977 /nfs/dbraw/zinc/22/39/77/393223977.db2.gz LEHASBBYOQWIDY-MSOLQXFVSA-N 2 2 290.451 3.147 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000354025475 393237212 /nfs/dbraw/zinc/23/72/12/393237212.db2.gz DVMICQWGMZRCGR-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000354025475 393237216 /nfs/dbraw/zinc/23/72/16/393237216.db2.gz DVMICQWGMZRCGR-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP Cc1ccc([C@H](C)[N@H+](C)CCn2cc[nH+]c2)c(C)c1 ZINC000270842176 393240238 /nfs/dbraw/zinc/24/02/38/393240238.db2.gz NVDXUSCFVZDYFN-HNNXBMFYSA-N 2 2 257.381 3.193 20 0 CGADLP Cc1ccc([C@H](C)[N@@H+](C)CCn2cc[nH+]c2)c(C)c1 ZINC000270842176 393240242 /nfs/dbraw/zinc/24/02/42/393240242.db2.gz NVDXUSCFVZDYFN-HNNXBMFYSA-N 2 2 257.381 3.193 20 0 CGADLP COc1cccc2c1C[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000648769794 393244224 /nfs/dbraw/zinc/24/42/24/393244224.db2.gz CCSLJOFDLXMRNP-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP COc1cccc2c1C[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000648769794 393244229 /nfs/dbraw/zinc/24/42/29/393244229.db2.gz CCSLJOFDLXMRNP-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560786 393201154 /nfs/dbraw/zinc/20/11/54/393201154.db2.gz RQKCGLDWHIRFGR-BXUZGUMPSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560786 393201161 /nfs/dbraw/zinc/20/11/61/393201161.db2.gz RQKCGLDWHIRFGR-BXUZGUMPSA-N 2 2 298.833 3.296 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000471595673 393285380 /nfs/dbraw/zinc/28/53/80/393285380.db2.gz JDTFBIHWTNIHNM-YCPHGPKFSA-N 2 2 278.465 3.015 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000471595673 393285385 /nfs/dbraw/zinc/28/53/85/393285385.db2.gz JDTFBIHWTNIHNM-YCPHGPKFSA-N 2 2 278.465 3.015 20 0 CGADLP Cc1[nH+]c2ccccn2c1Cn1cc[nH+]c1C(C)C ZINC000355443420 393324556 /nfs/dbraw/zinc/32/45/56/393324556.db2.gz XQOMEEWQVSWWSF-UHFFFAOYSA-N 2 2 254.337 3.011 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@@H](C)C2)c(C)c1 ZINC000647196375 393381573 /nfs/dbraw/zinc/38/15/73/393381573.db2.gz ZJIQMEHDENZBCA-BQFCYCMXSA-N 2 2 299.418 3.008 20 0 CGADLP COc1ccccc1C1([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000647233119 393401917 /nfs/dbraw/zinc/40/19/17/393401917.db2.gz UKLNFEJVXJLYAP-UHFFFAOYSA-N 2 2 293.370 3.122 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCCCC1 ZINC000475082571 393368754 /nfs/dbraw/zinc/36/87/54/393368754.db2.gz ABUQEJNIYPIIJB-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@H+](CC[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000647175031 393369615 /nfs/dbraw/zinc/36/96/15/393369615.db2.gz UYACNWDVLNJRSW-UHFFFAOYSA-N 2 2 282.378 3.286 20 0 CGADLP C[N@@H+](CC[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000647175031 393369620 /nfs/dbraw/zinc/36/96/20/393369620.db2.gz UYACNWDVLNJRSW-UHFFFAOYSA-N 2 2 282.378 3.286 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000475101477 393372034 /nfs/dbraw/zinc/37/20/34/393372034.db2.gz DBJZQWPWPJEARB-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000475101477 393372039 /nfs/dbraw/zinc/37/20/39/393372039.db2.gz DBJZQWPWPJEARB-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000475101477 393372047 /nfs/dbraw/zinc/37/20/47/393372047.db2.gz DBJZQWPWPJEARB-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000475101477 393372052 /nfs/dbraw/zinc/37/20/52/393372052.db2.gz DBJZQWPWPJEARB-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CC(C)c1nc(NC2CCC([NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000420155810 393431639 /nfs/dbraw/zinc/43/16/39/393431639.db2.gz DRIDACGHWIBJMA-UHFFFAOYSA-N 2 2 290.455 3.001 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000356386972 393434045 /nfs/dbraw/zinc/43/40/45/393434045.db2.gz FZYMSBADYXADIU-BBVFFXRHSA-N 2 2 281.403 3.369 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000356386972 393434050 /nfs/dbraw/zinc/43/40/50/393434050.db2.gz FZYMSBADYXADIU-BBVFFXRHSA-N 2 2 281.403 3.369 20 0 CGADLP CC(C)c1nc(N2C[C@H](C[NH3+])C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000420215024 393438801 /nfs/dbraw/zinc/43/88/01/393438801.db2.gz JPWKRYHBHXDRLF-OLZOCXBDSA-N 2 2 290.455 3.071 20 0 CGADLP CC(C)c1cc(N2CCC[C@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000420237579 393441458 /nfs/dbraw/zinc/44/14/58/393441458.db2.gz GACFKHRGVXMEHP-CQSZACIVSA-N 2 2 290.455 3.289 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC1(C)C ZINC000487265799 393450416 /nfs/dbraw/zinc/45/04/16/393450416.db2.gz OJSFHHGLJITUDT-KCQAQPDRSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC1(C)C ZINC000487265799 393450422 /nfs/dbraw/zinc/45/04/22/393450422.db2.gz OJSFHHGLJITUDT-KCQAQPDRSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000487303800 393451419 /nfs/dbraw/zinc/45/14/19/393451419.db2.gz AESDYRSFYRUWPQ-HLLBOEOZSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000487303800 393451420 /nfs/dbraw/zinc/45/14/20/393451420.db2.gz AESDYRSFYRUWPQ-HLLBOEOZSA-N 2 2 290.476 3.165 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427894727 393458921 /nfs/dbraw/zinc/45/89/21/393458921.db2.gz LRITXZWRHWVMHS-HOCLYGCPSA-N 2 2 297.402 3.010 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000420365027 393475045 /nfs/dbraw/zinc/47/50/45/393475045.db2.gz KRJNVZXXPJTGGD-JTNHKYCSSA-N 2 2 286.341 3.182 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000429553026 393477646 /nfs/dbraw/zinc/47/76/46/393477646.db2.gz MBYDEEXZXDPNBH-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000429553026 393477655 /nfs/dbraw/zinc/47/76/55/393477655.db2.gz MBYDEEXZXDPNBH-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000488349498 393492568 /nfs/dbraw/zinc/49/25/68/393492568.db2.gz DVQCMYWYBIRQEQ-COXVUDFISA-N 2 2 260.425 3.097 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)CCC2 ZINC000359324312 393543547 /nfs/dbraw/zinc/54/35/47/393543547.db2.gz QZXVHGCYOAFBAJ-HRCADAONSA-N 2 2 273.424 3.237 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@H]1C)Cc1ccccc1 ZINC000488443612 393515506 /nfs/dbraw/zinc/51/55/06/393515506.db2.gz WBCBGCGZKWGAPA-NXHRZFHOSA-N 2 2 274.452 3.185 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)n21 ZINC000430098097 393521591 /nfs/dbraw/zinc/52/15/91/393521591.db2.gz CKFKETWEGBXKFZ-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)n21 ZINC000430098097 393521593 /nfs/dbraw/zinc/52/15/93/393521593.db2.gz CKFKETWEGBXKFZ-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000359376849 393545630 /nfs/dbraw/zinc/54/56/30/393545630.db2.gz WRECTSWHYLBSQJ-GOSISDBHSA-N 2 2 290.451 3.086 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000359376849 393545633 /nfs/dbraw/zinc/54/56/33/393545633.db2.gz WRECTSWHYLBSQJ-GOSISDBHSA-N 2 2 290.451 3.086 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CO1 ZINC000649720347 393557356 /nfs/dbraw/zinc/55/73/56/393557356.db2.gz HYFPCVJVKWLIED-FUHWJXTLSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CO1 ZINC000649720347 393557361 /nfs/dbraw/zinc/55/73/61/393557361.db2.gz HYFPCVJVKWLIED-FUHWJXTLSA-N 2 2 299.418 3.262 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)o1 ZINC000666766763 542814190 /nfs/dbraw/zinc/81/41/90/542814190.db2.gz AIYQCVCGRMSFMH-ZDUSSCGKSA-N 2 2 288.366 3.317 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000360769884 393585382 /nfs/dbraw/zinc/58/53/82/393585382.db2.gz CUEBKTXEZFLNLA-RBSFLKMASA-N 2 2 271.408 3.496 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000489825828 393616024 /nfs/dbraw/zinc/61/60/24/393616024.db2.gz HOWFXZVKDARKMB-RYKRPPSOSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000489825828 393616026 /nfs/dbraw/zinc/61/60/26/393616026.db2.gz HOWFXZVKDARKMB-RYKRPPSOSA-N 2 2 272.436 3.428 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000360946502 393621598 /nfs/dbraw/zinc/62/15/98/393621598.db2.gz JXJIXLMAQDQMMQ-HOTGVXAUSA-N 2 2 293.455 3.282 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000361010670 393640531 /nfs/dbraw/zinc/64/05/31/393640531.db2.gz ADOZJVZZHVQEAZ-SFHVURJKSA-N 2 2 292.467 3.250 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000361010670 393640536 /nfs/dbraw/zinc/64/05/36/393640536.db2.gz ADOZJVZZHVQEAZ-SFHVURJKSA-N 2 2 292.467 3.250 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422874708 393645768 /nfs/dbraw/zinc/64/57/68/393645768.db2.gz AQMRHWAGAXIOBN-CWRNSKLLSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422992112 393647692 /nfs/dbraw/zinc/64/76/92/393647692.db2.gz QRMIBFFSLVBMNG-RCBQFDQVSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000432833427 393648036 /nfs/dbraw/zinc/64/80/36/393648036.db2.gz WPYVZDIHEKCIQC-JFIYKMOQSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833427 393648039 /nfs/dbraw/zinc/64/80/39/393648039.db2.gz WPYVZDIHEKCIQC-JFIYKMOQSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423230240 393656413 /nfs/dbraw/zinc/65/64/13/393656413.db2.gz DBFHNFLAUCKAHJ-SWLSCSKDSA-N 2 2 268.351 3.004 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201731 393749221 /nfs/dbraw/zinc/74/92/21/393749221.db2.gz IONBHYJISHJYIT-JZXOWHBKSA-N 2 2 292.467 3.391 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)[C@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889220 393774901 /nfs/dbraw/zinc/77/49/01/393774901.db2.gz SQMDXCQHBYNCSP-JQHSSLGASA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000500116018 393817587 /nfs/dbraw/zinc/81/75/87/393817587.db2.gz BAYZEWMQPTVBEK-BRWVUGGUSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000500116018 393817592 /nfs/dbraw/zinc/81/75/92/393817592.db2.gz BAYZEWMQPTVBEK-BRWVUGGUSA-N 2 2 296.499 3.148 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000500397285 393827124 /nfs/dbraw/zinc/82/71/24/393827124.db2.gz QCBIIIUVAWQLOB-GOCZWWTBSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000500397285 393827128 /nfs/dbraw/zinc/82/71/28/393827128.db2.gz QCBIIIUVAWQLOB-GOCZWWTBSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@@H+]1CCCC[C@H]1C ZINC000502247215 393871721 /nfs/dbraw/zinc/87/17/21/393871721.db2.gz HLJAIMBJFYLAPE-HHARLNAUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@H+]1CCCC[C@H]1C ZINC000502247215 393871723 /nfs/dbraw/zinc/87/17/23/393871723.db2.gz HLJAIMBJFYLAPE-HHARLNAUSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449545242 393893473 /nfs/dbraw/zinc/89/34/73/393893473.db2.gz YHKZCULVEGNFIQ-ZWKOTPCHSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449545242 393893474 /nfs/dbraw/zinc/89/34/74/393893474.db2.gz YHKZCULVEGNFIQ-ZWKOTPCHSA-N 2 2 270.420 3.443 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC000449555488 393900838 /nfs/dbraw/zinc/90/08/38/393900838.db2.gz HDVYFIJRBSPOHT-UAGQMJEPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]CC1(C)CCCCCC1 ZINC000503581335 393904597 /nfs/dbraw/zinc/90/45/97/393904597.db2.gz MBMDYWVECRCYSK-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666998281 542835026 /nfs/dbraw/zinc/83/50/26/542835026.db2.gz LKLXWNDYWIWKJT-LBPRGKRZSA-N 2 2 293.480 3.205 20 0 CGADLP C([N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C12CCC(CC1)C2 ZINC000450266414 393993614 /nfs/dbraw/zinc/99/36/14/393993614.db2.gz QQNIOESIIKPUCY-AQFXKWCLSA-N 2 2 262.441 3.127 20 0 CGADLP C([N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C12CCC(CC1)C2 ZINC000450266414 393993617 /nfs/dbraw/zinc/99/36/17/393993617.db2.gz QQNIOESIIKPUCY-AQFXKWCLSA-N 2 2 262.441 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCCc3ccccc32)n1C ZINC000667482093 542874486 /nfs/dbraw/zinc/87/44/86/542874486.db2.gz RRSONEITYRUEAM-KRWDZBQOSA-N 2 2 269.392 3.238 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCCc3ccccc32)n1C ZINC000667482093 542874491 /nfs/dbraw/zinc/87/44/91/542874491.db2.gz RRSONEITYRUEAM-KRWDZBQOSA-N 2 2 269.392 3.238 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1c1ccccc1)CCC2 ZINC000667492391 542876010 /nfs/dbraw/zinc/87/60/10/542876010.db2.gz GXGKCPMVTKHPDI-INIZCTEOSA-N 2 2 267.376 3.166 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1c1ccccc1)CCC2 ZINC000667492391 542876011 /nfs/dbraw/zinc/87/60/11/542876011.db2.gz GXGKCPMVTKHPDI-INIZCTEOSA-N 2 2 267.376 3.166 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccncc1 ZINC000453203014 394204184 /nfs/dbraw/zinc/20/41/84/394204184.db2.gz DSHFGAKRHYWBOA-SJORKVTESA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000453203014 394204189 /nfs/dbraw/zinc/20/41/89/394204189.db2.gz DSHFGAKRHYWBOA-SJORKVTESA-N 2 2 273.424 3.139 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1C ZINC000667496826 542877427 /nfs/dbraw/zinc/87/74/27/542877427.db2.gz GNQUFLSGTHDDPR-MRXNPFEDSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1C ZINC000667496826 542877431 /nfs/dbraw/zinc/87/74/31/542877431.db2.gz GNQUFLSGTHDDPR-MRXNPFEDSA-N 2 2 287.432 3.019 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000453145079 394187196 /nfs/dbraw/zinc/18/71/96/394187196.db2.gz REYMJLBWNLXLSP-KCXAZCMYSA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000453145079 394187198 /nfs/dbraw/zinc/18/71/98/394187198.db2.gz REYMJLBWNLXLSP-KCXAZCMYSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)n1C ZINC000667502880 542879708 /nfs/dbraw/zinc/87/97/08/542879708.db2.gz RQJYWIFBTRFPKU-KRWDZBQOSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CCc2ccccc2)n1C ZINC000667502880 542879713 /nfs/dbraw/zinc/87/97/13/542879713.db2.gz RQJYWIFBTRFPKU-KRWDZBQOSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1C ZINC000667531306 542884597 /nfs/dbraw/zinc/88/45/97/542884597.db2.gz AFSSPCAATWJQTK-RCBQFDQVSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)n1C ZINC000667531306 542884602 /nfs/dbraw/zinc/88/46/02/542884602.db2.gz AFSSPCAATWJQTK-RCBQFDQVSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000667627381 542900397 /nfs/dbraw/zinc/90/03/97/542900397.db2.gz AAUNJHVCJSXIAC-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000667627381 542900401 /nfs/dbraw/zinc/90/04/01/542900401.db2.gz AAUNJHVCJSXIAC-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630066 542900723 /nfs/dbraw/zinc/90/07/23/542900723.db2.gz WAPNERPWZDOINO-CQSZACIVSA-N 2 2 290.436 3.003 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]c(C)n1C)CCC2 ZINC000667630066 542900725 /nfs/dbraw/zinc/90/07/25/542900725.db2.gz WAPNERPWZDOINO-CQSZACIVSA-N 2 2 290.436 3.003 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1F ZINC000667641773 542902584 /nfs/dbraw/zinc/90/25/84/542902584.db2.gz CTTYEWWWMAYGLG-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP COCc1csc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000667668666 542911938 /nfs/dbraw/zinc/91/19/38/542911938.db2.gz VTSUTFRDNFTYIC-OAHLLOKOSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000667668666 542911940 /nfs/dbraw/zinc/91/19/40/542911940.db2.gz VTSUTFRDNFTYIC-OAHLLOKOSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000667668666 542911943 /nfs/dbraw/zinc/91/19/43/542911943.db2.gz VTSUTFRDNFTYIC-OAHLLOKOSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000667668666 542911947 /nfs/dbraw/zinc/91/19/47/542911947.db2.gz VTSUTFRDNFTYIC-OAHLLOKOSA-N 2 2 296.480 3.201 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)n1C ZINC000667670111 542912145 /nfs/dbraw/zinc/91/21/45/542912145.db2.gz DMMCEZJWBHVQCC-RDTXWAMCSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)n1C ZINC000667670111 542912148 /nfs/dbraw/zinc/91/21/48/542912148.db2.gz DMMCEZJWBHVQCC-RDTXWAMCSA-N 2 2 283.419 3.354 20 0 CGADLP CC(C)CC[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688435 542916276 /nfs/dbraw/zinc/91/62/76/542916276.db2.gz RVNUVJPCXCQYOD-AWEZNQCLSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)CC[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688435 542916278 /nfs/dbraw/zinc/91/62/78/542916278.db2.gz RVNUVJPCXCQYOD-AWEZNQCLSA-N 2 2 261.413 3.230 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]2C ZINC000667963041 542950213 /nfs/dbraw/zinc/95/02/13/542950213.db2.gz AERFQOJNNBAKJS-STQMWFEESA-N 2 2 299.418 3.245 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c(C)n1C)[C@H]2C ZINC000667963041 542950215 /nfs/dbraw/zinc/95/02/15/542950215.db2.gz AERFQOJNNBAKJS-STQMWFEESA-N 2 2 299.418 3.245 20 0 CGADLP c1cc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cs1 ZINC000668008411 542957462 /nfs/dbraw/zinc/95/74/62/542957462.db2.gz VBKZHYDUXPWQMI-UHFFFAOYSA-N 2 2 287.432 3.270 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c(C)c1 ZINC000668091434 542968165 /nfs/dbraw/zinc/96/81/65/542968165.db2.gz GETHMALXVNDDRK-MRXNPFEDSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c(C)c1 ZINC000668091434 542968169 /nfs/dbraw/zinc/96/81/69/542968169.db2.gz GETHMALXVNDDRK-MRXNPFEDSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)n1C ZINC000668091686 542968573 /nfs/dbraw/zinc/96/85/73/542968573.db2.gz MHNGDJAGFSHWRN-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccc(C)cc3C)C2)n1C ZINC000668091686 542968575 /nfs/dbraw/zinc/96/85/75/542968575.db2.gz MHNGDJAGFSHWRN-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC2CC2)c1F ZINC000668165965 542978746 /nfs/dbraw/zinc/97/87/46/542978746.db2.gz LOCPSSQZSKWHFR-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC2CC2)c1F ZINC000668165965 542978749 /nfs/dbraw/zinc/97/87/49/542978749.db2.gz LOCPSSQZSKWHFR-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000668154813 542977977 /nfs/dbraw/zinc/97/79/77/542977977.db2.gz WYFSFVDNTSYNIA-BHYGNILZSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)n1C ZINC000668203355 542988148 /nfs/dbraw/zinc/98/81/48/542988148.db2.gz FXZBRTUCFHONBR-GLJUWKHASA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)n1C ZINC000668203355 542988151 /nfs/dbraw/zinc/98/81/51/542988151.db2.gz FXZBRTUCFHONBR-GLJUWKHASA-N 2 2 283.419 3.495 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459408 543014959 /nfs/dbraw/zinc/01/49/59/543014959.db2.gz UCCRXKOZYXNYLT-GDBMZVCRSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459408 543014961 /nfs/dbraw/zinc/01/49/61/543014961.db2.gz UCCRXKOZYXNYLT-GDBMZVCRSA-N 2 2 290.451 3.176 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000668458172 543014995 /nfs/dbraw/zinc/01/49/95/543014995.db2.gz BWYCYWDQKSSCCK-MJBXVCDLSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000668458172 543014996 /nfs/dbraw/zinc/01/49/96/543014996.db2.gz BWYCYWDQKSSCCK-MJBXVCDLSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000668458173 543015371 /nfs/dbraw/zinc/01/53/71/543015371.db2.gz BWYCYWDQKSSCCK-RDBSUJKOSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000668458173 543015374 /nfs/dbraw/zinc/01/53/74/543015374.db2.gz BWYCYWDQKSSCCK-RDBSUJKOSA-N 2 2 284.513 3.369 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)n1C ZINC000668536630 543024840 /nfs/dbraw/zinc/02/48/40/543024840.db2.gz WAJTUDKWCYJIDC-HNNXBMFYSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)n1C ZINC000668536630 543024842 /nfs/dbraw/zinc/02/48/42/543024842.db2.gz WAJTUDKWCYJIDC-HNNXBMFYSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC34CCC4)[nH+]c12 ZINC000669700451 543119658 /nfs/dbraw/zinc/11/96/58/543119658.db2.gz IFGPITGTBPAHMP-HNNXBMFYSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000671296281 543166990 /nfs/dbraw/zinc/16/69/90/543166990.db2.gz UORXKEHEYXHFJI-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000671296281 543166992 /nfs/dbraw/zinc/16/69/92/543166992.db2.gz UORXKEHEYXHFJI-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554945 543216891 /nfs/dbraw/zinc/21/68/91/543216891.db2.gz IGJOXQOMKWDAKI-AEFFLSMTSA-N 2 2 280.371 3.222 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554945 543216893 /nfs/dbraw/zinc/21/68/93/543216893.db2.gz IGJOXQOMKWDAKI-AEFFLSMTSA-N 2 2 280.371 3.222 20 0 CGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342195670 397684592 /nfs/dbraw/zinc/68/45/92/397684592.db2.gz CHPYGRXALDVCBA-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342195670 397684595 /nfs/dbraw/zinc/68/45/95/397684595.db2.gz CHPYGRXALDVCBA-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544618 397685384 /nfs/dbraw/zinc/68/53/84/397685384.db2.gz BLJZZYLIFHROKJ-YKUAXSNGSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544618 397685386 /nfs/dbraw/zinc/68/53/86/397685386.db2.gz BLJZZYLIFHROKJ-YKUAXSNGSA-N 2 2 292.373 3.054 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C3CCC3)cc2)n1C ZINC000419694280 397699558 /nfs/dbraw/zinc/69/95/58/397699558.db2.gz KFMBSEBVTHCTHX-UHFFFAOYSA-N 2 2 298.434 3.043 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2ccsc21)[C@@H]1CCC[NH2+]1 ZINC000650740422 397904092 /nfs/dbraw/zinc/90/40/92/397904092.db2.gz MCZLYYMLFOCDLJ-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000650739976 397904489 /nfs/dbraw/zinc/90/44/89/397904489.db2.gz DCBCBAILUJQTRI-GOEBONIOSA-N 2 2 258.409 3.104 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000674711099 543294341 /nfs/dbraw/zinc/29/43/41/543294341.db2.gz OMZFJAVTMNTOQX-YOEHRIQHSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000674711099 543294343 /nfs/dbraw/zinc/29/43/43/543294343.db2.gz OMZFJAVTMNTOQX-YOEHRIQHSA-N 2 2 272.436 3.354 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000675499011 543345026 /nfs/dbraw/zinc/34/50/26/543345026.db2.gz ZAEDEDVWLDANGJ-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000675499011 543345029 /nfs/dbraw/zinc/34/50/29/543345029.db2.gz ZAEDEDVWLDANGJ-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675499011 543345032 /nfs/dbraw/zinc/34/50/32/543345032.db2.gz ZAEDEDVWLDANGJ-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675499011 543345036 /nfs/dbraw/zinc/34/50/36/543345036.db2.gz ZAEDEDVWLDANGJ-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765452 543361414 /nfs/dbraw/zinc/36/14/14/543361414.db2.gz GXPMCJJVCYXFBG-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765452 543361413 /nfs/dbraw/zinc/36/14/13/543361413.db2.gz GXPMCJJVCYXFBG-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675832804 543367913 /nfs/dbraw/zinc/36/79/13/543367913.db2.gz AJWSFISAGRIIEV-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832804 543367916 /nfs/dbraw/zinc/36/79/16/543367916.db2.gz AJWSFISAGRIIEV-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833834 543368403 /nfs/dbraw/zinc/36/84/03/543368403.db2.gz PLFVMAYJLNIINK-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833834 543368406 /nfs/dbraw/zinc/36/84/06/543368406.db2.gz PLFVMAYJLNIINK-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833787 543368632 /nfs/dbraw/zinc/36/86/32/543368632.db2.gz PAPAVEKTAXJJMU-QAPCUYQASA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833787 543368634 /nfs/dbraw/zinc/36/86/34/543368634.db2.gz PAPAVEKTAXJJMU-QAPCUYQASA-N 2 2 286.463 3.427 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000675929840 543374840 /nfs/dbraw/zinc/37/48/40/543374840.db2.gz ASESEECHPQEOJJ-DDUZABMNSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CC2 ZINC000675929840 543374842 /nfs/dbraw/zinc/37/48/42/543374842.db2.gz ASESEECHPQEOJJ-DDUZABMNSA-N 2 2 270.420 3.197 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000676490860 543399649 /nfs/dbraw/zinc/39/96/49/543399649.db2.gz SUSZHYNUFSGLLT-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000676490860 543399651 /nfs/dbraw/zinc/39/96/51/543399651.db2.gz SUSZHYNUFSGLLT-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490261 543399788 /nfs/dbraw/zinc/39/97/88/543399788.db2.gz PFJWZXKDBMJEMZ-QAPCUYQASA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490261 543399791 /nfs/dbraw/zinc/39/97/91/543399791.db2.gz PFJWZXKDBMJEMZ-QAPCUYQASA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678235211 543498189 /nfs/dbraw/zinc/49/81/89/543498189.db2.gz PNKLIWOHYXWNBT-FMKPAKJESA-N 2 2 285.391 3.437 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678235211 543498191 /nfs/dbraw/zinc/49/81/91/543498191.db2.gz PNKLIWOHYXWNBT-FMKPAKJESA-N 2 2 285.391 3.437 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC000678234497 543498362 /nfs/dbraw/zinc/49/83/62/543498362.db2.gz GMRCVCLCDYHRMS-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC000678234497 543498364 /nfs/dbraw/zinc/49/83/64/543498364.db2.gz GMRCVCLCDYHRMS-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000678911627 543571338 /nfs/dbraw/zinc/57/13/38/543571338.db2.gz YHBIHLPDYXLDJN-BDVYOWHSSA-N 2 2 288.435 3.102 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000678911627 543571341 /nfs/dbraw/zinc/57/13/41/543571341.db2.gz YHBIHLPDYXLDJN-BDVYOWHSSA-N 2 2 288.435 3.102 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000678928415 543573367 /nfs/dbraw/zinc/57/33/67/543573367.db2.gz OQFLAOFQVKDWJX-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1(C)C ZINC000678928415 543573369 /nfs/dbraw/zinc/57/33/69/543573369.db2.gz OQFLAOFQVKDWJX-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000678937382 543574387 /nfs/dbraw/zinc/57/43/87/543574387.db2.gz RLSQLNUGSDXSRV-MRXNPFEDSA-N 2 2 269.392 3.236 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000353280922 286386409 /nfs/dbraw/zinc/38/64/09/286386409.db2.gz XCEZYUJXVSFONO-GUYCJALGSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000353280922 286386410 /nfs/dbraw/zinc/38/64/10/286386410.db2.gz XCEZYUJXVSFONO-GUYCJALGSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]CC[NH+](C)C)ccc2c1 ZINC000019510485 286882346 /nfs/dbraw/zinc/88/23/46/286882346.db2.gz MTQZEFDUBQHJTB-ZDUSSCGKSA-N 2 2 272.392 3.061 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000071120370 286992266 /nfs/dbraw/zinc/99/22/66/286992266.db2.gz PRPUOJACFVMABH-JKSUJKDBSA-N 2 2 252.446 3.421 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCCC3CC3)cc2)c[nH+]1 ZINC000076767888 287035788 /nfs/dbraw/zinc/03/57/88/287035788.db2.gz IFTHWHHWBQXRDU-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087758314 165191027 /nfs/dbraw/zinc/19/10/27/165191027.db2.gz ULPNGHCPUOOAAB-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087758314 165191031 /nfs/dbraw/zinc/19/10/31/165191031.db2.gz ULPNGHCPUOOAAB-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)c1ccccn1 ZINC000090050392 165223526 /nfs/dbraw/zinc/22/35/26/165223526.db2.gz APSVVXBDPNQNCY-AWEZNQCLSA-N 2 2 294.402 3.252 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000090004384 165224756 /nfs/dbraw/zinc/22/47/56/165224756.db2.gz JKRNKJWCZOHHML-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000090004384 165224758 /nfs/dbraw/zinc/22/47/58/165224758.db2.gz JKRNKJWCZOHHML-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959810 165280539 /nfs/dbraw/zinc/28/05/39/165280539.db2.gz JSXKGHRHBZVRHB-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959810 165280543 /nfs/dbraw/zinc/28/05/43/165280543.db2.gz JSXKGHRHBZVRHB-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC2(C)C)n1-c1ccccc1 ZINC000092128971 165283179 /nfs/dbraw/zinc/28/31/79/165283179.db2.gz SNOGNILGLYWWNS-OAHLLOKOSA-N 2 2 255.365 3.069 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC)CC1 ZINC000092165794 165283894 /nfs/dbraw/zinc/28/38/94/165283894.db2.gz VYFZKZRJBMFFGI-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC)CC1 ZINC000092165794 165283898 /nfs/dbraw/zinc/28/38/98/165283898.db2.gz VYFZKZRJBMFFGI-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000092253986 165286345 /nfs/dbraw/zinc/28/63/45/165286345.db2.gz MPBSXQHVWXSIKY-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000092253986 165286348 /nfs/dbraw/zinc/28/63/48/165286348.db2.gz MPBSXQHVWXSIKY-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000092253986 165286350 /nfs/dbraw/zinc/28/63/50/165286350.db2.gz MPBSXQHVWXSIKY-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000092253986 165286351 /nfs/dbraw/zinc/28/63/51/165286351.db2.gz MPBSXQHVWXSIKY-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccnc1 ZINC000092741139 165311271 /nfs/dbraw/zinc/31/12/71/165311271.db2.gz VECMYPBKSLXMEX-CYBMUJFWSA-N 2 2 280.375 3.241 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])co2)cc1 ZINC000093874511 165339202 /nfs/dbraw/zinc/33/92/02/165339202.db2.gz IQUDQCKOFKUASF-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])co2)cc1 ZINC000093874511 165339205 /nfs/dbraw/zinc/33/92/05/165339205.db2.gz IQUDQCKOFKUASF-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000136382790 165450557 /nfs/dbraw/zinc/45/05/57/165450557.db2.gz BBUYNJIQRZMSKH-UHFFFAOYSA-N 2 2 296.842 3.096 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122276458 287208216 /nfs/dbraw/zinc/20/82/16/287208216.db2.gz WVHIBIYEGVXSCM-RISCZKNCSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000122276458 287208218 /nfs/dbraw/zinc/20/82/18/287208218.db2.gz WVHIBIYEGVXSCM-RISCZKNCSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000122296552 287208552 /nfs/dbraw/zinc/20/85/52/287208552.db2.gz BPNAZFQZQZFAJP-RISCZKNCSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000122296552 287208553 /nfs/dbraw/zinc/20/85/53/287208553.db2.gz BPNAZFQZQZFAJP-RISCZKNCSA-N 2 2 298.352 3.420 20 0 CGADLP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123168081 287216486 /nfs/dbraw/zinc/21/64/86/287216486.db2.gz SUKCLAYPEJNNST-WBAXXEDZSA-N 2 2 299.418 3.481 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000284442595 196055996 /nfs/dbraw/zinc/05/59/96/196055996.db2.gz SBHJLVQPXDKICX-CQSZACIVSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000020126958 171012107 /nfs/dbraw/zinc/01/21/07/171012107.db2.gz VXIJXNBDHWUPQY-GFCCVEGCSA-N 2 2 252.789 3.086 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccccn1 ZINC000020186665 171051108 /nfs/dbraw/zinc/05/11/08/171051108.db2.gz ROBXWZVTDXCDAY-ZDUSSCGKSA-N 2 2 280.375 3.091 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000020189022 171054263 /nfs/dbraw/zinc/05/42/63/171054263.db2.gz ZCQHOVHRVQXSJW-XJKSGUPXSA-N 2 2 276.424 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020305525 171141512 /nfs/dbraw/zinc/14/15/12/171141512.db2.gz KAVGFUSYIFGSSP-LJQANCHMSA-N 2 2 280.415 3.359 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020305525 171141515 /nfs/dbraw/zinc/14/15/15/171141515.db2.gz KAVGFUSYIFGSSP-LJQANCHMSA-N 2 2 280.415 3.359 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000021028259 171291460 /nfs/dbraw/zinc/29/14/60/171291460.db2.gz FLFMTCZWSZZFPQ-OAHLLOKOSA-N 2 2 266.816 3.477 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126550358 287267841 /nfs/dbraw/zinc/26/78/41/287267841.db2.gz IMNWPWFSAPSSEH-KRWDZBQOSA-N 2 2 292.854 3.129 20 0 CGADLP C[NH+](CCC[N@H+](C)CCCCCF)Cc1ccco1 ZINC000285553473 196324738 /nfs/dbraw/zinc/32/47/38/196324738.db2.gz GSBVDDHTDVCEMR-UHFFFAOYSA-N 2 2 270.392 3.173 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCCCCF)Cc1ccco1 ZINC000285553473 196324739 /nfs/dbraw/zinc/32/47/39/196324739.db2.gz GSBVDDHTDVCEMR-UHFFFAOYSA-N 2 2 270.392 3.173 20 0 CGADLP C[NH+](CCCCCF)CCC[N@H+](C)Cc1ccco1 ZINC000285553473 196324741 /nfs/dbraw/zinc/32/47/41/196324741.db2.gz GSBVDDHTDVCEMR-UHFFFAOYSA-N 2 2 270.392 3.173 20 0 CGADLP C[NH+](CCCCCF)CCC[N@@H+](C)Cc1ccco1 ZINC000285553473 196324743 /nfs/dbraw/zinc/32/47/43/196324743.db2.gz GSBVDDHTDVCEMR-UHFFFAOYSA-N 2 2 270.392 3.173 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000037157519 172992059 /nfs/dbraw/zinc/99/20/59/172992059.db2.gz YUKDYHDAVKHCQM-VHSXEESVSA-N 2 2 269.801 3.337 20 0 CGADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000037236152 173054214 /nfs/dbraw/zinc/05/42/14/173054214.db2.gz ZRYSIPJQQYJEPT-CQSZACIVSA-N 2 2 259.397 3.369 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000037320318 173121323 /nfs/dbraw/zinc/12/13/23/173121323.db2.gz ILLCSINXNUEIGB-WDEREUQCSA-N 2 2 281.762 3.415 20 0 CGADLP CCC[N@H+](Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000037539244 173260529 /nfs/dbraw/zinc/26/05/29/173260529.db2.gz ZGROUJBAQVCKOD-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CCC[N@@H+](Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000037539244 173260530 /nfs/dbraw/zinc/26/05/30/173260530.db2.gz ZGROUJBAQVCKOD-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2ccccc2C)C1)C1CC1 ZINC000127336175 287285661 /nfs/dbraw/zinc/28/56/61/287285661.db2.gz QBRFYVQZTQLLCA-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2ccccc2C)C1)C1CC1 ZINC000127336175 287285664 /nfs/dbraw/zinc/28/56/64/287285664.db2.gz QBRFYVQZTQLLCA-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038087629 174099217 /nfs/dbraw/zinc/09/92/17/174099217.db2.gz RTYMUAKNWUZBCC-GJZGRUSLSA-N 2 2 262.441 3.283 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640032 174363946 /nfs/dbraw/zinc/36/39/46/174363946.db2.gz FTUROJASNBCSNP-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640032 174363947 /nfs/dbraw/zinc/36/39/47/174363947.db2.gz FTUROJASNBCSNP-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000354167079 287294956 /nfs/dbraw/zinc/29/49/56/287294956.db2.gz NGMQQRXYONFBLT-WCVJEAGWSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326751 175008277 /nfs/dbraw/zinc/00/82/77/175008277.db2.gz CKIYIQPHLJQCTK-HUUCEWRRSA-N 2 2 264.388 3.255 20 0 CGADLP C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071206561 176080517 /nfs/dbraw/zinc/08/05/17/176080517.db2.gz MNIYKMUDRDNRBA-XJKSGUPXSA-N 2 2 255.365 3.151 20 0 CGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)cc1 ZINC000414892473 416561059 /nfs/dbraw/zinc/56/10/59/416561059.db2.gz JFMARUDGCNEXPY-HOTGVXAUSA-N 2 2 290.407 3.123 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679331259 543620594 /nfs/dbraw/zinc/62/05/94/543620594.db2.gz IKSLFNFWMWMSGD-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679331259 543620598 /nfs/dbraw/zinc/62/05/98/543620598.db2.gz IKSLFNFWMWMSGD-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679331260 543620626 /nfs/dbraw/zinc/62/06/26/543620626.db2.gz IKSLFNFWMWMSGD-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679331260 543620630 /nfs/dbraw/zinc/62/06/30/543620630.db2.gz IKSLFNFWMWMSGD-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681744327 543805342 /nfs/dbraw/zinc/80/53/42/543805342.db2.gz UNXUUYQZEWIIRV-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681744327 543805345 /nfs/dbraw/zinc/80/53/45/543805345.db2.gz UNXUUYQZEWIIRV-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143765 543829453 /nfs/dbraw/zinc/82/94/53/543829453.db2.gz VJYNGYURZFQREG-WMLDXEAASA-N 2 2 272.436 3.384 20 0 CGADLP COC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000131120914 287371334 /nfs/dbraw/zinc/37/13/34/287371334.db2.gz GLKWZXJFJOROCB-WMZOPIPTSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683694467 543933275 /nfs/dbraw/zinc/93/32/75/543933275.db2.gz PSMNWYZMQFMKHN-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683694467 543933279 /nfs/dbraw/zinc/93/32/79/543933279.db2.gz PSMNWYZMQFMKHN-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cccc2[nH+]cc(CNc3cc[nH+]c(C)c3Cl)n21 ZINC000683071010 543893582 /nfs/dbraw/zinc/89/35/82/543893582.db2.gz RIYVBCXHGVAZSY-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000684677402 544025351 /nfs/dbraw/zinc/02/53/51/544025351.db2.gz XZMUFWMYZJOKHX-ORQFMDKSSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684677402 544025353 /nfs/dbraw/zinc/02/53/53/544025353.db2.gz XZMUFWMYZJOKHX-ORQFMDKSSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](c3ccco3)C2)c[nH+]1 ZINC000684359857 543984523 /nfs/dbraw/zinc/98/45/23/543984523.db2.gz KCLZOIHEVHCMQJ-MRXNPFEDSA-N 2 2 270.376 3.405 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](c3ccco3)C2)c[nH+]1 ZINC000684359857 543984524 /nfs/dbraw/zinc/98/45/24/543984524.db2.gz KCLZOIHEVHCMQJ-MRXNPFEDSA-N 2 2 270.376 3.405 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccnc2OC(C)C)c[nH+]1 ZINC000684366855 543986648 /nfs/dbraw/zinc/98/66/48/543986648.db2.gz WIPHYSMYLJEDCH-UHFFFAOYSA-N 2 2 299.418 3.295 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684379831 543988867 /nfs/dbraw/zinc/98/88/67/543988867.db2.gz NCUHYPVEJKMSBY-LBPRGKRZSA-N 2 2 273.380 3.278 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CO)[C@H](C)c2ccccc2)c[nH+]1 ZINC000684377822 543989066 /nfs/dbraw/zinc/98/90/66/543989066.db2.gz GHFCIEQYVDOAPX-APWZRJJASA-N 2 2 298.430 3.077 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3cc(O)ccc3C2)c[nH+]1 ZINC000684407438 543994475 /nfs/dbraw/zinc/99/44/75/543994475.db2.gz HQSFKCLSOFLJHY-GOSISDBHSA-N 2 2 296.414 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000347965752 226390568 /nfs/dbraw/zinc/39/05/68/226390568.db2.gz RYYUKDATOSHKRC-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000685582542 544087776 /nfs/dbraw/zinc/08/77/76/544087776.db2.gz VWINXFBEGJKLNH-IAGOWNOFSA-N 2 2 290.451 3.227 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000685582542 544087779 /nfs/dbraw/zinc/08/77/79/544087779.db2.gz VWINXFBEGJKLNH-IAGOWNOFSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCc1ccc(F)cc1Cl ZINC000685839911 544100034 /nfs/dbraw/zinc/10/00/34/544100034.db2.gz YEEDMIXYWMDHLU-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329197 418952978 /nfs/dbraw/zinc/95/29/78/418952978.db2.gz MUOHGPBIDRRKJA-RISCZKNCSA-N 2 2 298.352 3.234 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329197 418952982 /nfs/dbraw/zinc/95/29/82/418952982.db2.gz MUOHGPBIDRRKJA-RISCZKNCSA-N 2 2 298.352 3.234 20 0 CGADLP CO[C@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909018 419030934 /nfs/dbraw/zinc/03/09/34/419030934.db2.gz LISCRGCXANSVBH-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP CO[C@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909018 419030937 /nfs/dbraw/zinc/03/09/37/419030937.db2.gz LISCRGCXANSVBH-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1Cl ZINC000659948111 419042344 /nfs/dbraw/zinc/04/23/44/419042344.db2.gz OAPOOJISAZIYPI-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1Cl ZINC000659948111 419042349 /nfs/dbraw/zinc/04/23/49/419042349.db2.gz OAPOOJISAZIYPI-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000659948111 419042352 /nfs/dbraw/zinc/04/23/52/419042352.db2.gz OAPOOJISAZIYPI-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000659948111 419042356 /nfs/dbraw/zinc/04/23/56/419042356.db2.gz OAPOOJISAZIYPI-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820792 419009476 /nfs/dbraw/zinc/00/94/76/419009476.db2.gz ASWDZVXTLVJJST-MRXNPFEDSA-N 2 2 284.407 3.060 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664820792 419009480 /nfs/dbraw/zinc/00/94/80/419009480.db2.gz ASWDZVXTLVJJST-MRXNPFEDSA-N 2 2 284.407 3.060 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1Cl ZINC000665249247 419092673 /nfs/dbraw/zinc/09/26/73/419092673.db2.gz LZJNAJPUUHSLEX-SNVBAGLBSA-N 2 2 270.779 3.401 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277911 419099242 /nfs/dbraw/zinc/09/92/42/419099242.db2.gz PDBFKHAOFBBWLW-KWCGZIOASA-N 2 2 297.229 3.322 20 0 CGADLP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2ccccc2o1 ZINC000665278519 419099924 /nfs/dbraw/zinc/09/99/24/419099924.db2.gz HELLOWNMDTYXJB-VXVMZULRSA-N 2 2 284.403 3.472 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000653876239 419101452 /nfs/dbraw/zinc/10/14/52/419101452.db2.gz GGDPPUKVHVLWAX-QZTJIDSGSA-N 2 2 299.418 3.310 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000665296581 419108569 /nfs/dbraw/zinc/10/85/69/419108569.db2.gz UXRMIXNIKZNUGQ-CZUORRHYSA-N 2 2 276.424 3.221 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000665296343 419109269 /nfs/dbraw/zinc/10/92/69/419109269.db2.gz RHGMXSSCQPDRNO-BLLLJJGKSA-N 2 2 264.388 3.255 20 0 CGADLP C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000655843859 419115976 /nfs/dbraw/zinc/11/59/76/419115976.db2.gz NKAUKBSNQGJPKP-ZDUSSCGKSA-N 2 2 298.415 3.050 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848734 419118117 /nfs/dbraw/zinc/11/81/17/419118117.db2.gz KBINUIKEWUFUCB-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848734 419118121 /nfs/dbraw/zinc/11/81/21/419118121.db2.gz KBINUIKEWUFUCB-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]1C ZINC000655851046 419120848 /nfs/dbraw/zinc/12/08/48/419120848.db2.gz OOJIMZFDGMLMFE-ZVDSWSACSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@@H]1C ZINC000655851046 419120851 /nfs/dbraw/zinc/12/08/51/419120851.db2.gz OOJIMZFDGMLMFE-ZVDSWSACSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850786 419120888 /nfs/dbraw/zinc/12/08/88/419120888.db2.gz YUUHUZBJYFTONB-UGUYLWEFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850786 419120892 /nfs/dbraw/zinc/12/08/92/419120892.db2.gz YUUHUZBJYFTONB-UGUYLWEFSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854975 419122816 /nfs/dbraw/zinc/12/28/16/419122816.db2.gz BQXCFYKALSFLOY-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854975 419122818 /nfs/dbraw/zinc/12/28/18/419122818.db2.gz BQXCFYKALSFLOY-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655855930 419123758 /nfs/dbraw/zinc/12/37/58/419123758.db2.gz JCBHUNLAGGDTPM-HZPDHXFCSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655855930 419123763 /nfs/dbraw/zinc/12/37/63/419123763.db2.gz JCBHUNLAGGDTPM-HZPDHXFCSA-N 2 2 278.827 3.447 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854987 419124030 /nfs/dbraw/zinc/12/40/30/419124030.db2.gz BSRJNWXMTLINJL-NDWYAPDHSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854987 419124033 /nfs/dbraw/zinc/12/40/33/419124033.db2.gz BSRJNWXMTLINJL-NDWYAPDHSA-N 2 2 270.420 3.306 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000660110367 419078399 /nfs/dbraw/zinc/07/83/99/419078399.db2.gz ASMLPHPVQDFYGI-MTSZKFMLSA-N 2 2 273.424 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000660110367 419078404 /nfs/dbraw/zinc/07/84/04/419078404.db2.gz ASMLPHPVQDFYGI-MTSZKFMLSA-N 2 2 273.424 3.202 20 0 CGADLP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660115640 419079801 /nfs/dbraw/zinc/07/98/01/419079801.db2.gz YMVAMESYBPVSBQ-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660115640 419079803 /nfs/dbraw/zinc/07/98/03/419079803.db2.gz YMVAMESYBPVSBQ-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660115641 419080414 /nfs/dbraw/zinc/08/04/14/419080414.db2.gz YMVAMESYBPVSBQ-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660115641 419080416 /nfs/dbraw/zinc/08/04/16/419080416.db2.gz YMVAMESYBPVSBQ-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC000655943584 419129916 /nfs/dbraw/zinc/12/99/16/419129916.db2.gz QNWWMAKZDFIGLF-UHFFFAOYSA-N 2 2 297.402 3.045 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC000655943584 419129920 /nfs/dbraw/zinc/12/99/20/419129920.db2.gz QNWWMAKZDFIGLF-UHFFFAOYSA-N 2 2 297.402 3.045 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656225684 419154150 /nfs/dbraw/zinc/15/41/50/419154150.db2.gz IWCUVJATDYERFX-HOCLYGCPSA-N 2 2 284.407 3.002 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656225684 419154151 /nfs/dbraw/zinc/15/41/51/419154151.db2.gz IWCUVJATDYERFX-HOCLYGCPSA-N 2 2 284.407 3.002 20 0 CGADLP Cc1ccc(CCCNc2cc3cc[nH]c3c[nH+]2)c[nH+]1 ZINC000656265390 419159073 /nfs/dbraw/zinc/15/90/73/419159073.db2.gz KYUVRDPQEVAPHX-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP CC(C)=CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000660549290 419159764 /nfs/dbraw/zinc/15/97/64/419159764.db2.gz ULMXHFICOKVSIC-UHFFFAOYSA-N 2 2 264.413 3.390 20 0 CGADLP CC(C)=CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000660549290 419159766 /nfs/dbraw/zinc/15/97/66/419159766.db2.gz ULMXHFICOKVSIC-UHFFFAOYSA-N 2 2 264.413 3.390 20 0 CGADLP CC(C)=CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000660549290 419159770 /nfs/dbraw/zinc/15/97/70/419159770.db2.gz ULMXHFICOKVSIC-UHFFFAOYSA-N 2 2 264.413 3.390 20 0 CGADLP CC(C)=CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000660549290 419159773 /nfs/dbraw/zinc/15/97/73/419159773.db2.gz ULMXHFICOKVSIC-UHFFFAOYSA-N 2 2 264.413 3.390 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000666088756 419189318 /nfs/dbraw/zinc/18/93/18/419189318.db2.gz QBRJPRJGRLGCGJ-UONOGXRCSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666088756 419189320 /nfs/dbraw/zinc/18/93/20/419189320.db2.gz QBRJPRJGRLGCGJ-UONOGXRCSA-N 2 2 290.838 3.024 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)[C@H]1C[C@@H]1C ZINC000666093748 419189913 /nfs/dbraw/zinc/18/99/13/419189913.db2.gz VCPDFLXWPQBXCA-BPUTZDHNSA-N 2 2 271.408 3.209 20 0 CGADLP CCCC1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657325923 419251136 /nfs/dbraw/zinc/25/11/36/419251136.db2.gz AIKINYPDWAMPFN-UHFFFAOYSA-N 2 2 261.413 3.278 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(F)ccc1F ZINC000657372181 419262606 /nfs/dbraw/zinc/26/26/06/419262606.db2.gz COJJQVJBSVDEOA-OAHLLOKOSA-N 2 2 291.345 3.348 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000656675827 419198305 /nfs/dbraw/zinc/19/83/05/419198305.db2.gz JESTVWCPDMZSQM-IAQYHMDHSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000656675827 419198309 /nfs/dbraw/zinc/19/83/09/419198309.db2.gz JESTVWCPDMZSQM-IAQYHMDHSA-N 2 2 294.389 3.415 20 0 CGADLP c1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)on1 ZINC000660853260 419203776 /nfs/dbraw/zinc/20/37/76/419203776.db2.gz UBITVIXXDWKDDO-UHFFFAOYSA-N 2 2 296.374 3.006 20 0 CGADLP Cc1occc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000666281777 419205567 /nfs/dbraw/zinc/20/55/67/419205567.db2.gz KOIIFAFDSKTXCX-QGZVFWFLSA-N 2 2 295.386 3.395 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)c1 ZINC000656790068 419220663 /nfs/dbraw/zinc/22/06/63/419220663.db2.gz IDOIQOUFCKLPQF-ROUUACIJSA-N 2 2 284.378 3.061 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2Cl)CCCC1 ZINC000656788596 419220898 /nfs/dbraw/zinc/22/08/98/419220898.db2.gz VCEDHMICPYCWHW-UHFFFAOYSA-N 2 2 273.207 3.355 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661232092 419242348 /nfs/dbraw/zinc/24/23/48/419242348.db2.gz ZCVBCNXJTNVZJH-UHFFFAOYSA-N 2 2 261.413 3.009 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CCCC2)CC1 ZINC000661232092 419242349 /nfs/dbraw/zinc/24/23/49/419242349.db2.gz ZCVBCNXJTNVZJH-UHFFFAOYSA-N 2 2 261.413 3.009 20 0 CGADLP c1cn(CCC[N@@H+]2CC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578561 419275091 /nfs/dbraw/zinc/27/50/91/419275091.db2.gz PFFHCNRXHRROAC-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578561 419275092 /nfs/dbraw/zinc/27/50/92/419275092.db2.gz PFFHCNRXHRROAC-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657459271 419284298 /nfs/dbraw/zinc/28/42/98/419284298.db2.gz RXYWFHHSRNPJRK-GFCCVEGCSA-N 2 2 287.432 3.402 20 0 CGADLP FC1(F)CCCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657472307 419286471 /nfs/dbraw/zinc/28/64/71/419286471.db2.gz LXIVLMLJOXTJHE-LBPRGKRZSA-N 2 2 283.366 3.135 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCC(C3CCC3)CC1)C2 ZINC000657469949 419286538 /nfs/dbraw/zinc/28/65/38/419286538.db2.gz KSCSLZDTJGSWKQ-NRXISQOPSA-N 2 2 273.424 3.216 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCC(C3CCC3)CC1)CC2 ZINC000657469949 419286540 /nfs/dbraw/zinc/28/65/40/419286540.db2.gz KSCSLZDTJGSWKQ-NRXISQOPSA-N 2 2 273.424 3.216 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000657523198 419298049 /nfs/dbraw/zinc/29/80/49/419298049.db2.gz FJDBGGAMAJQPTC-CQSZACIVSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000657523198 419298051 /nfs/dbraw/zinc/29/80/51/419298051.db2.gz FJDBGGAMAJQPTC-CQSZACIVSA-N 2 2 264.388 3.097 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(F)F ZINC000657668468 419324815 /nfs/dbraw/zinc/32/48/15/419324815.db2.gz GIXMAOAJBNMUEQ-CQSZACIVSA-N 2 2 277.318 3.007 20 0 CGADLP C[NH+](C)C1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000356099253 228120027 /nfs/dbraw/zinc/12/00/27/228120027.db2.gz OKVWKQPOPOSXOG-UHFFFAOYSA-N 2 2 284.806 3.048 20 0 CGADLP CC1(C)[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(F)F ZINC000657736760 419333535 /nfs/dbraw/zinc/33/35/35/419333535.db2.gz MWQKYBCOQCVHIV-AWEZNQCLSA-N 2 2 291.345 3.253 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCSCC3)[nH]c2c1 ZINC000657850087 419388758 /nfs/dbraw/zinc/38/87/58/419388758.db2.gz OAMBIYDEPHWZJB-CYBMUJFWSA-N 2 2 289.448 3.371 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000657889303 419411243 /nfs/dbraw/zinc/41/12/43/419411243.db2.gz RRTUAICLHUGICV-NXHRZFHOSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000657889303 419411255 /nfs/dbraw/zinc/41/12/55/419411255.db2.gz RRTUAICLHUGICV-NXHRZFHOSA-N 2 2 299.462 3.214 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000657835976 419378908 /nfs/dbraw/zinc/37/89/08/419378908.db2.gz PRGFBERBJHWZEB-NJINODPHSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000657835976 419378913 /nfs/dbraw/zinc/37/89/13/419378913.db2.gz PRGFBERBJHWZEB-NJINODPHSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000657837296 419380545 /nfs/dbraw/zinc/38/05/45/419380545.db2.gz SCARJIWZQKTTLT-NJINODPHSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657837296 419380550 /nfs/dbraw/zinc/38/05/50/419380550.db2.gz SCARJIWZQKTTLT-NJINODPHSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccncc2s1 ZINC000657983112 419477103 /nfs/dbraw/zinc/47/71/03/419477103.db2.gz ZPLXWLBXGQPCOO-DGCLKSJQSA-N 2 2 298.415 3.158 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902495 419428950 /nfs/dbraw/zinc/42/89/50/419428950.db2.gz MSMNFWWOVDFZHJ-NTZNESFSSA-N 2 2 295.377 3.295 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902495 419428959 /nfs/dbraw/zinc/42/89/59/419428959.db2.gz MSMNFWWOVDFZHJ-NTZNESFSSA-N 2 2 295.377 3.295 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657930368 419448190 /nfs/dbraw/zinc/44/81/90/419448190.db2.gz NBLAZOQIEISEKA-PMPSAXMXSA-N 2 2 258.409 3.347 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)o1 ZINC000658054294 419522305 /nfs/dbraw/zinc/52/23/05/419522305.db2.gz CVKFPAFDPRHGNE-TZMCWYRMSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)o1 ZINC000658054294 419522312 /nfs/dbraw/zinc/52/23/12/419522312.db2.gz CVKFPAFDPRHGNE-TZMCWYRMSA-N 2 2 264.413 3.420 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055833 419522434 /nfs/dbraw/zinc/52/24/34/419522434.db2.gz JPFQQWHYGPLPKX-DZGCQCFKSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055833 419522439 /nfs/dbraw/zinc/52/24/39/419522439.db2.gz JPFQQWHYGPLPKX-DZGCQCFKSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063457 419534630 /nfs/dbraw/zinc/53/46/30/419534630.db2.gz VREWVUNMURIZOV-HIFRSBDPSA-N 2 2 292.471 3.296 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063457 419534640 /nfs/dbraw/zinc/53/46/40/419534640.db2.gz VREWVUNMURIZOV-HIFRSBDPSA-N 2 2 292.471 3.296 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658062997 419535467 /nfs/dbraw/zinc/53/54/67/419535467.db2.gz UTKGRIFSBZAGIM-CZUORRHYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658062997 419535473 /nfs/dbraw/zinc/53/54/73/419535473.db2.gz UTKGRIFSBZAGIM-CZUORRHYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092352 419563387 /nfs/dbraw/zinc/56/33/87/419563387.db2.gz PVUVWGUMTWYYMG-HZPDHXFCSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092352 419563398 /nfs/dbraw/zinc/56/33/98/419563398.db2.gz PVUVWGUMTWYYMG-HZPDHXFCSA-N 2 2 292.854 3.270 20 0 CGADLP c1ccc(Oc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)cc1 ZINC000663502636 419636920 /nfs/dbraw/zinc/63/69/20/419636920.db2.gz XHBODOKUVINHMH-UHFFFAOYSA-N 2 2 294.398 3.321 20 0 CGADLP CC[NH+]1CCC(Nc2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000663354681 419573062 /nfs/dbraw/zinc/57/30/62/419573062.db2.gz XYDXHLKHPFZQQI-UHFFFAOYSA-N 2 2 297.406 3.116 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095520 419573509 /nfs/dbraw/zinc/57/35/09/419573509.db2.gz IUMHKRZHDAVGEW-PVAVHDDUSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095520 419573519 /nfs/dbraw/zinc/57/35/19/419573519.db2.gz IUMHKRZHDAVGEW-PVAVHDDUSA-N 2 2 290.451 3.225 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000658229682 419691206 /nfs/dbraw/zinc/69/12/06/419691206.db2.gz GAXLLLPOTQIOBE-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000658229682 419691216 /nfs/dbraw/zinc/69/12/16/419691216.db2.gz GAXLLLPOTQIOBE-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286219 419733370 /nfs/dbraw/zinc/73/33/70/419733370.db2.gz QGRFXGRXCXFROD-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286219 419733380 /nfs/dbraw/zinc/73/33/80/419733380.db2.gz QGRFXGRXCXFROD-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000658286762 419734378 /nfs/dbraw/zinc/73/43/78/419734378.db2.gz USHVJKFRKOVEFV-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000658286762 419734388 /nfs/dbraw/zinc/73/43/88/419734388.db2.gz USHVJKFRKOVEFV-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000658288543 419739093 /nfs/dbraw/zinc/73/90/93/419739093.db2.gz VNPSOUWZKPQGLC-PBHICJAKSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000658288543 419739104 /nfs/dbraw/zinc/73/91/04/419739104.db2.gz VNPSOUWZKPQGLC-PBHICJAKSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCCC1 ZINC000658293352 419743034 /nfs/dbraw/zinc/74/30/34/419743034.db2.gz FZEGFTBXDAMYJR-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP CCc1cc(OCCc2c[nH+]cn2C)c2ccccc2[nH+]1 ZINC000663999069 419792710 /nfs/dbraw/zinc/79/27/10/419792710.db2.gz IJVSPVDFADZHBV-UHFFFAOYSA-N 2 2 281.359 3.152 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000020550996 262249667 /nfs/dbraw/zinc/24/96/67/262249667.db2.gz UBHPJTHZFAMIPG-KRWDZBQOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000188235369 262286621 /nfs/dbraw/zinc/28/66/21/262286621.db2.gz XWMVJTNGFFJXFR-ZDUSSCGKSA-N 2 2 266.816 3.129 20 0 CGADLP CCCC1CCC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000222099633 262292323 /nfs/dbraw/zinc/29/23/23/262292323.db2.gz FJSMFJZNSONJJJ-NFOMZHRRSA-N 2 2 252.446 3.418 20 0 CGADLP CCCC1CCC([NH2+]C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000222099633 262292322 /nfs/dbraw/zinc/29/23/22/262292322.db2.gz FJSMFJZNSONJJJ-NFOMZHRRSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000221885026 262315284 /nfs/dbraw/zinc/31/52/84/262315284.db2.gz LYPJFLRVNMJUKE-HNNXBMFYSA-N 2 2 278.415 3.222 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000230993677 287642037 /nfs/dbraw/zinc/64/20/37/287642037.db2.gz LLVWCHFZLLBHBA-CVEARBPZSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000230993673 287642043 /nfs/dbraw/zinc/64/20/43/287642043.db2.gz LLVWCHFZLLBHBA-HZPDHXFCSA-N 2 2 263.429 3.468 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353284 270035479 /nfs/dbraw/zinc/03/54/79/270035479.db2.gz XCZYYJIZCPZBGV-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684762 270037151 /nfs/dbraw/zinc/03/71/51/270037151.db2.gz RNAFMIHQMWLUEF-ZBFHGGJFSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684762 270037152 /nfs/dbraw/zinc/03/71/52/270037152.db2.gz RNAFMIHQMWLUEF-ZBFHGGJFSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684757 270037349 /nfs/dbraw/zinc/03/73/49/270037349.db2.gz RNAFMIHQMWLUEF-GDBMZVCRSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684757 270037350 /nfs/dbraw/zinc/03/73/50/270037350.db2.gz RNAFMIHQMWLUEF-GDBMZVCRSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684765 270037353 /nfs/dbraw/zinc/03/73/53/270037353.db2.gz RNAFMIHQMWLUEF-HOCLYGCPSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684765 270037354 /nfs/dbraw/zinc/03/73/54/270037354.db2.gz RNAFMIHQMWLUEF-HOCLYGCPSA-N 2 2 288.435 3.363 20 0 CGADLP Clc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685965 270037415 /nfs/dbraw/zinc/03/74/15/270037415.db2.gz LJFYEUJGQXDLEC-SIWZUTFBSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685965 270037416 /nfs/dbraw/zinc/03/74/16/270037416.db2.gz LJFYEUJGQXDLEC-SIWZUTFBSA-N 2 2 290.838 3.412 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094422 270038163 /nfs/dbraw/zinc/03/81/63/270038163.db2.gz SOHYRJKVYHHACB-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP CC[N@H+](CC[NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000186615424 270066686 /nfs/dbraw/zinc/06/66/86/270066686.db2.gz BNUIINGCVVEQRX-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP CC[N@@H+](CC[NH2+]CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000186615424 270066687 /nfs/dbraw/zinc/06/66/87/270066687.db2.gz BNUIINGCVVEQRX-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000192176903 270077061 /nfs/dbraw/zinc/07/70/61/270077061.db2.gz ICFYNDJCUGRVGV-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000192176903 270077062 /nfs/dbraw/zinc/07/70/62/270077062.db2.gz ICFYNDJCUGRVGV-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000223075582 270086388 /nfs/dbraw/zinc/08/63/88/270086388.db2.gz RIOOXEZETFTOTH-YOEHRIQHSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000223075582 270086389 /nfs/dbraw/zinc/08/63/89/270086389.db2.gz RIOOXEZETFTOTH-YOEHRIQHSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000525874710 270120458 /nfs/dbraw/zinc/12/04/58/270120458.db2.gz YZVZOPVIBYIILC-AWEZNQCLSA-N 2 2 275.371 3.196 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000527750422 270134566 /nfs/dbraw/zinc/13/45/66/270134566.db2.gz LGSBKCCGWBYXNZ-MAUKXSAKSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000527750422 270134567 /nfs/dbraw/zinc/13/45/67/270134567.db2.gz LGSBKCCGWBYXNZ-MAUKXSAKSA-N 2 2 270.420 3.205 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527809443 270137816 /nfs/dbraw/zinc/13/78/16/270137816.db2.gz PLVRKCRXTOOPKV-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527809443 270137817 /nfs/dbraw/zinc/13/78/17/270137817.db2.gz PLVRKCRXTOOPKV-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527811639 270137927 /nfs/dbraw/zinc/13/79/27/270137927.db2.gz YKGNDKOSMVBLHU-KKMIYCERSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527811639 270137928 /nfs/dbraw/zinc/13/79/28/270137928.db2.gz YKGNDKOSMVBLHU-KKMIYCERSA-N 2 2 270.420 3.306 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850729 270139734 /nfs/dbraw/zinc/13/97/34/270139734.db2.gz KLPHXFXAHDDROD-XHDPSFHLSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850729 270139735 /nfs/dbraw/zinc/13/97/35/270139735.db2.gz KLPHXFXAHDDROD-XHDPSFHLSA-N 2 2 282.790 3.150 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527913893 270143729 /nfs/dbraw/zinc/14/37/29/270143729.db2.gz XSHPZFNCVPJICR-AWEZNQCLSA-N 2 2 269.392 3.013 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527913893 270143730 /nfs/dbraw/zinc/14/37/30/270143730.db2.gz XSHPZFNCVPJICR-AWEZNQCLSA-N 2 2 269.392 3.013 20 0 CGADLP Cc1cccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)C(C)C)c1 ZINC000527919060 270143805 /nfs/dbraw/zinc/14/38/05/270143805.db2.gz YPXOBPCFHQSAGU-QGZVFWFLSA-N 2 2 271.408 3.258 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)ccn1 ZINC000527987873 270148899 /nfs/dbraw/zinc/14/88/99/270148899.db2.gz VVXRKHSAUSKQOU-QGZVFWFLSA-N 2 2 299.462 3.382 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccncc1 ZINC000527997929 270149461 /nfs/dbraw/zinc/14/94/61/270149461.db2.gz BZCYNDHUTYZERE-IRXDYDNUSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccncc1 ZINC000527997929 270149462 /nfs/dbraw/zinc/14/94/62/270149462.db2.gz BZCYNDHUTYZERE-IRXDYDNUSA-N 2 2 273.424 3.139 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000528008627 270151332 /nfs/dbraw/zinc/15/13/32/270151332.db2.gz FXOPMVCZTSEHGR-IUODEOHRSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC000528008627 270151333 /nfs/dbraw/zinc/15/13/33/270151333.db2.gz FXOPMVCZTSEHGR-IUODEOHRSA-N 2 2 264.438 3.416 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC000528025199 270152002 /nfs/dbraw/zinc/15/20/02/270152002.db2.gz GTABDFOWXSOGMK-GOSISDBHSA-N 2 2 281.403 3.157 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC000528025199 270152003 /nfs/dbraw/zinc/15/20/03/270152003.db2.gz GTABDFOWXSOGMK-GOSISDBHSA-N 2 2 281.403 3.157 20 0 CGADLP C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000528421861 270165266 /nfs/dbraw/zinc/16/52/66/270165266.db2.gz BOIIQCWUEJTPFM-HIFRSBDPSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000528421861 270165267 /nfs/dbraw/zinc/16/52/67/270165267.db2.gz BOIIQCWUEJTPFM-HIFRSBDPSA-N 2 2 261.413 3.202 20 0 CGADLP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000528490352 270166776 /nfs/dbraw/zinc/16/67/76/270166776.db2.gz JZBKVCKJDTYCST-DHDOUQCBSA-N 2 2 264.800 3.164 20 0 CGADLP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000528490352 270166777 /nfs/dbraw/zinc/16/67/77/270166777.db2.gz JZBKVCKJDTYCST-DHDOUQCBSA-N 2 2 264.800 3.164 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000528726533 270170458 /nfs/dbraw/zinc/17/04/58/270170458.db2.gz IRGWJPSHHCSKGS-KRWDZBQOSA-N 2 2 292.467 3.062 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528759278 270171268 /nfs/dbraw/zinc/17/12/68/270171268.db2.gz NMQZEXCKBCVEKT-LLDVTBCESA-N 2 2 299.418 3.082 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1n1cc[nH+]c1 ZINC000529534467 270183044 /nfs/dbraw/zinc/18/30/44/270183044.db2.gz CROUWAMPDSSBBB-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1n1cc[nH+]c1 ZINC000529534467 270183045 /nfs/dbraw/zinc/18/30/45/270183045.db2.gz CROUWAMPDSSBBB-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536735 270183339 /nfs/dbraw/zinc/18/33/39/270183339.db2.gz PVCQVVNTFWXGFY-CZUORRHYSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536735 270183340 /nfs/dbraw/zinc/18/33/40/270183340.db2.gz PVCQVVNTFWXGFY-CZUORRHYSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558718 270184758 /nfs/dbraw/zinc/18/47/58/270184758.db2.gz SECXUCLMYPQUHM-YPMHNXCESA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558718 270184759 /nfs/dbraw/zinc/18/47/59/270184759.db2.gz SECXUCLMYPQUHM-YPMHNXCESA-N 2 2 274.399 3.130 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(C)c1F ZINC000530219301 270195985 /nfs/dbraw/zinc/19/59/85/270195985.db2.gz LHCLIZMAUQSGIJ-UKRRQHHQSA-N 2 2 276.399 3.378 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218773 270196196 /nfs/dbraw/zinc/19/61/96/270196196.db2.gz JNCSZEPFXJAALX-NHYWBVRUSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc(C)c1F ZINC000530219299 270196320 /nfs/dbraw/zinc/19/63/20/270196320.db2.gz LHCLIZMAUQSGIJ-HIFRSBDPSA-N 2 2 276.399 3.378 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224931 270196422 /nfs/dbraw/zinc/19/64/22/270196422.db2.gz WEEKYSUPSCGPRI-FVQBIDKESA-N 2 2 270.420 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530224215 270196702 /nfs/dbraw/zinc/19/67/02/270196702.db2.gz VMCHGVORFUVJFM-FZMZJTMJSA-N 2 2 296.361 3.223 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)s1 ZINC000530226301 270196980 /nfs/dbraw/zinc/19/69/80/270196980.db2.gz ZLRGLIAVPSASSA-FZMZJTMJSA-N 2 2 264.438 3.300 20 0 CGADLP FC(F)(F)c1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000530233602 270197000 /nfs/dbraw/zinc/19/70/00/270197000.db2.gz YLRBBSHYOHPBFW-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000530233602 270197001 /nfs/dbraw/zinc/19/70/01/270197001.db2.gz YLRBBSHYOHPBFW-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000531682587 270208644 /nfs/dbraw/zinc/20/86/44/270208644.db2.gz WJPBOYAWFVNDFQ-DNVCBOLYSA-N 2 2 298.430 3.241 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000531682587 270208645 /nfs/dbraw/zinc/20/86/45/270208645.db2.gz WJPBOYAWFVNDFQ-DNVCBOLYSA-N 2 2 298.430 3.241 20 0 CGADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000531692820 270208851 /nfs/dbraw/zinc/20/88/51/270208851.db2.gz ILVNHNXSVOGNIT-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000531948356 270211302 /nfs/dbraw/zinc/21/13/02/270211302.db2.gz NXQPNQSLEDVWJF-OCCSQVGLSA-N 2 2 296.842 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000531948356 270211303 /nfs/dbraw/zinc/21/13/03/270211303.db2.gz NXQPNQSLEDVWJF-OCCSQVGLSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccoc1 ZINC000531967434 270211632 /nfs/dbraw/zinc/21/16/32/270211632.db2.gz LDQUIRFHFODXRT-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984541 270212173 /nfs/dbraw/zinc/21/21/73/270212173.db2.gz KCXMKWFLJNENMY-RDJZCZTQSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984541 270212174 /nfs/dbraw/zinc/21/21/74/270212174.db2.gz KCXMKWFLJNENMY-RDJZCZTQSA-N 2 2 288.435 3.140 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507473948 287647875 /nfs/dbraw/zinc/64/78/75/287647875.db2.gz WOPSHAKQHWLZPL-NWDGAFQWSA-N 2 2 280.378 3.427 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000368584928 273611713 /nfs/dbraw/zinc/61/17/13/273611713.db2.gz OVBOCACRSTWLBS-PXAZEXFGSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C[N@@H+]1C ZINC000443504975 274366523 /nfs/dbraw/zinc/36/65/23/274366523.db2.gz ZNRKERYHSGQGII-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C[N@H+]1C ZINC000443504975 274366524 /nfs/dbraw/zinc/36/65/24/274366524.db2.gz ZNRKERYHSGQGII-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423556088 274882455 /nfs/dbraw/zinc/88/24/55/274882455.db2.gz MKFHULYMUFBGEE-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCCC2 ZINC000423204196 274882514 /nfs/dbraw/zinc/88/25/14/274882514.db2.gz NYMWLRBITPHLJK-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423533137 274914937 /nfs/dbraw/zinc/91/49/37/274914937.db2.gz SJPSXWKAJBCGCM-QXAKKESOSA-N 2 2 296.389 3.158 20 0 CGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191127043 274914982 /nfs/dbraw/zinc/91/49/82/274914982.db2.gz AETVHPXGHXJAJS-HNNXBMFYSA-N 2 2 297.333 3.087 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414955498 275819489 /nfs/dbraw/zinc/81/94/89/275819489.db2.gz NELBEMUKVBXAMJ-HOTGVXAUSA-N 2 2 258.409 3.042 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000474922789 275991590 /nfs/dbraw/zinc/99/15/90/275991590.db2.gz DKRFCAAFRBBXAI-RBSFLKMASA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000346650510 276020834 /nfs/dbraw/zinc/02/08/34/276020834.db2.gz CLRDMYQBLTUPST-QWHCGFSZSA-N 2 2 295.496 3.073 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000346650510 276020835 /nfs/dbraw/zinc/02/08/35/276020835.db2.gz CLRDMYQBLTUPST-QWHCGFSZSA-N 2 2 295.496 3.073 20 0 CGADLP CC[NH+](CC)[C@@H](C)CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353597127 276112817 /nfs/dbraw/zinc/11/28/17/276112817.db2.gz RUWXEYUWXRLYFZ-GOEBONIOSA-N 2 2 292.471 3.351 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311828368 276174883 /nfs/dbraw/zinc/17/48/83/276174883.db2.gz DTNLCBOPRPWLOR-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000311828368 276174884 /nfs/dbraw/zinc/17/48/84/276174884.db2.gz DTNLCBOPRPWLOR-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000339451192 276251700 /nfs/dbraw/zinc/25/17/00/276251700.db2.gz UEUTVQIDHABQPP-DZOHQFGASA-N 2 2 272.436 3.110 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000339451192 276251702 /nfs/dbraw/zinc/25/17/02/276251702.db2.gz UEUTVQIDHABQPP-DZOHQFGASA-N 2 2 272.436 3.110 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423251239 276266599 /nfs/dbraw/zinc/26/65/99/276266599.db2.gz VKGSZKWUALFZOU-CQSZACIVSA-N 2 2 282.815 3.061 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423393589 276270992 /nfs/dbraw/zinc/27/09/92/276270992.db2.gz YVQMUCUWQRQLSA-WBMJQRKESA-N 2 2 276.424 3.005 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000437008428 276534982 /nfs/dbraw/zinc/53/49/82/276534982.db2.gz RGZCXTDPIZYXKO-LSDHHAIUSA-N 2 2 273.355 3.078 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423475123 276580134 /nfs/dbraw/zinc/58/01/34/276580134.db2.gz RODCVIJJXRIZKK-JSGCOSHPSA-N 2 2 260.381 3.438 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423475772 276580391 /nfs/dbraw/zinc/58/03/91/276580391.db2.gz SCCNSMQXAHUWSW-CMPLNLGQSA-N 2 2 270.829 3.204 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000234219698 276696816 /nfs/dbraw/zinc/69/68/16/276696816.db2.gz RYTALCAJDHOOFY-SOUVJXGZSA-N 2 2 293.480 3.106 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000414681438 277172458 /nfs/dbraw/zinc/17/24/58/277172458.db2.gz PFCUABMLUSQIGT-GFCCVEGCSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000414681438 277172460 /nfs/dbraw/zinc/17/24/60/277172460.db2.gz PFCUABMLUSQIGT-GFCCVEGCSA-N 2 2 252.427 3.273 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000459457970 277169528 /nfs/dbraw/zinc/16/95/28/277169528.db2.gz QQPKNZBBOHSFHZ-DLBZAZTESA-N 2 2 270.420 3.354 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@H]1c1ccccc1 ZINC000459457970 277169530 /nfs/dbraw/zinc/16/95/30/277169530.db2.gz QQPKNZBBOHSFHZ-DLBZAZTESA-N 2 2 270.420 3.354 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000302816843 277173625 /nfs/dbraw/zinc/17/36/25/277173625.db2.gz IOZVSSHUTKMPPM-DLBZAZTESA-N 2 2 292.386 3.420 20 0 CGADLP C[N@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000302816843 277173626 /nfs/dbraw/zinc/17/36/26/277173626.db2.gz IOZVSSHUTKMPPM-DLBZAZTESA-N 2 2 292.386 3.420 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993441 277194414 /nfs/dbraw/zinc/19/44/14/277194414.db2.gz HHHABEGMIUGJDE-SJORKVTESA-N 2 2 294.483 3.044 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423225115 277272684 /nfs/dbraw/zinc/27/26/84/277272684.db2.gz LHAADDONSCLDCL-GFCCVEGCSA-N 2 2 289.448 3.297 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000337509259 278000863 /nfs/dbraw/zinc/00/08/63/278000863.db2.gz KEUJYSRBPZVSSG-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000337509259 278000864 /nfs/dbraw/zinc/00/08/64/278000864.db2.gz KEUJYSRBPZVSSG-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000427864490 278052800 /nfs/dbraw/zinc/05/28/00/278052800.db2.gz LXYWMYSJSJVXSX-MORSLUCNSA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000427864490 278052801 /nfs/dbraw/zinc/05/28/01/278052801.db2.gz LXYWMYSJSJVXSX-MORSLUCNSA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000427863724 278072967 /nfs/dbraw/zinc/07/29/67/278072967.db2.gz IXXBINHXXJPSGR-RYUDHWBXSA-N 2 2 290.436 3.129 20 0 CGADLP CSC1(C[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000356193979 278125287 /nfs/dbraw/zinc/12/52/87/278125287.db2.gz NZFYGMWBAJGNNM-OKILXGFUSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000356193979 278125288 /nfs/dbraw/zinc/12/52/88/278125288.db2.gz NZFYGMWBAJGNNM-OKILXGFUSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000397411550 288023539 /nfs/dbraw/zinc/02/35/39/288023539.db2.gz OYBVQGPMBBXPTQ-UPJWGTAASA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000397411550 288023541 /nfs/dbraw/zinc/02/35/41/288023541.db2.gz OYBVQGPMBBXPTQ-UPJWGTAASA-N 2 2 281.469 3.072 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000397688746 288027360 /nfs/dbraw/zinc/02/73/60/288027360.db2.gz YLCVNVSHQAJMOE-MHORFTMASA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000397688746 288027362 /nfs/dbraw/zinc/02/73/62/288027362.db2.gz YLCVNVSHQAJMOE-MHORFTMASA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nccc2ccccc21 ZINC000353266230 278273860 /nfs/dbraw/zinc/27/38/60/278273860.db2.gz ZNEFEYYERFIOLX-IJEWVQPXSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nccc2ccccc21 ZINC000353266230 278273862 /nfs/dbraw/zinc/27/38/62/278273862.db2.gz ZNEFEYYERFIOLX-IJEWVQPXSA-N 2 2 283.419 3.368 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000397794572 288030794 /nfs/dbraw/zinc/03/07/94/288030794.db2.gz FLIHSKJKKHLZQV-UHFFFAOYSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158498883 278304728 /nfs/dbraw/zinc/30/47/28/278304728.db2.gz COIMPLCDQYZPQV-XJKCOSOUSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158498883 278304731 /nfs/dbraw/zinc/30/47/31/278304731.db2.gz COIMPLCDQYZPQV-XJKCOSOUSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158498883 278304733 /nfs/dbraw/zinc/30/47/33/278304733.db2.gz COIMPLCDQYZPQV-XJKCOSOUSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158498883 278304735 /nfs/dbraw/zinc/30/47/35/278304735.db2.gz COIMPLCDQYZPQV-XJKCOSOUSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397851309 288032861 /nfs/dbraw/zinc/03/28/61/288032861.db2.gz ZUSYHXWFAHLZPX-HIFRSBDPSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1Br ZINC000037248493 278334979 /nfs/dbraw/zinc/33/49/79/278334979.db2.gz URFRPNJFQZITKM-LLVKDONJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1Cl ZINC000421819311 278335338 /nfs/dbraw/zinc/33/53/38/278335338.db2.gz GNIHEXFSJALUQB-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CCCC[NH2+]1 ZINC000423055775 278384159 /nfs/dbraw/zinc/38/41/59/278384159.db2.gz XCHVMNRHUXXYIT-XBFCOCLRSA-N 2 2 264.438 3.246 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423298837 278735976 /nfs/dbraw/zinc/73/59/76/278735976.db2.gz OXTRXBOKWRSHFB-HIFRSBDPSA-N 2 2 280.387 3.147 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423375047 278872074 /nfs/dbraw/zinc/87/20/74/278872074.db2.gz CRPMBCXCNDXJJO-HZPDHXFCSA-N 2 2 275.440 3.291 20 0 CGADLP c1cn2c(cccc2C[NH+]2CC(C3CCCCC3)C2)[nH+]1 ZINC000459597642 288100122 /nfs/dbraw/zinc/10/01/22/288100122.db2.gz VWMWCMSQSKFYAL-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(C)(c3ccccc3)C2)CCC1 ZINC000459515738 288095574 /nfs/dbraw/zinc/09/55/74/288095574.db2.gz PRJUNGLPGVAQSF-UHFFFAOYSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344328198 279125416 /nfs/dbraw/zinc/12/54/16/279125416.db2.gz QTWVQSDDPKBKLF-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@H+]1C ZINC000344328198 279125419 /nfs/dbraw/zinc/12/54/19/279125419.db2.gz QTWVQSDDPKBKLF-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3sccc32)CCC[N@@H+]1C ZINC000346807101 279126338 /nfs/dbraw/zinc/12/63/38/279126338.db2.gz LRCMTBBLMZSGQC-MRVWCRGKSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3sccc32)CCC[N@H+]1C ZINC000346807101 279126339 /nfs/dbraw/zinc/12/63/39/279126339.db2.gz LRCMTBBLMZSGQC-MRVWCRGKSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000050163973 279556003 /nfs/dbraw/zinc/55/60/03/279556003.db2.gz TXHBWWVTLLZEAU-GXTWGEPZSA-N 2 2 255.365 3.035 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)nc1 ZINC000527791927 288195639 /nfs/dbraw/zinc/19/56/39/288195639.db2.gz XGQPGEQDNRGAFK-KRWDZBQOSA-N 2 2 299.462 3.382 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020562669 280715314 /nfs/dbraw/zinc/71/53/14/280715314.db2.gz QPXURSICKAXISU-RDJZCZTQSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@H+]1C)CCO2 ZINC000352840513 281069987 /nfs/dbraw/zinc/06/99/87/281069987.db2.gz WMWQWDTUKKWOPF-QGZVFWFLSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCO2 ZINC000352840513 281069988 /nfs/dbraw/zinc/06/99/88/281069988.db2.gz WMWQWDTUKKWOPF-QGZVFWFLSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CC[C@H]1CCCC[NH+]1C)CCO2 ZINC000352840513 281069989 /nfs/dbraw/zinc/06/99/89/281069989.db2.gz WMWQWDTUKKWOPF-QGZVFWFLSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCO2 ZINC000352840513 281069990 /nfs/dbraw/zinc/06/99/90/281069990.db2.gz WMWQWDTUKKWOPF-QGZVFWFLSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179267 288295899 /nfs/dbraw/zinc/29/58/99/288295899.db2.gz SDMKPTHBFGVUAD-HNNXBMFYSA-N 2 2 278.827 3.331 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000344532836 281550391 /nfs/dbraw/zinc/55/03/91/281550391.db2.gz GLBRHTCEZTYTPP-NFAWXSAZSA-N 2 2 275.440 3.483 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCC2 ZINC000531728952 288344255 /nfs/dbraw/zinc/34/42/55/288344255.db2.gz QXEUBUOJHJZAPF-RDTXWAMCSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCC2 ZINC000531728952 288344258 /nfs/dbraw/zinc/34/42/58/288344258.db2.gz QXEUBUOJHJZAPF-RDTXWAMCSA-N 2 2 288.435 3.004 20 0 CGADLP CC(C)C1CCC([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000531728879 288344350 /nfs/dbraw/zinc/34/43/50/288344350.db2.gz SURQNUIVXZTIDW-FHERZECASA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)C1CCC([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000531728879 288344352 /nfs/dbraw/zinc/34/43/52/288344352.db2.gz SURQNUIVXZTIDW-FHERZECASA-N 2 2 252.446 3.133 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC000532239577 288357402 /nfs/dbraw/zinc/35/74/02/288357402.db2.gz PPGAETQITOTYKF-APWZRJJASA-N 2 2 286.463 3.248 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC000532239577 288357404 /nfs/dbraw/zinc/35/74/04/288357404.db2.gz PPGAETQITOTYKF-APWZRJJASA-N 2 2 286.463 3.248 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C)cc1 ZINC000532239325 288357451 /nfs/dbraw/zinc/35/74/51/288357451.db2.gz SVBSLWGUXVGLNY-WBVHZDCISA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C)cc1 ZINC000532239325 288357453 /nfs/dbraw/zinc/35/74/53/288357453.db2.gz SVBSLWGUXVGLNY-WBVHZDCISA-N 2 2 260.425 3.378 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532447568 288361524 /nfs/dbraw/zinc/36/15/24/288361524.db2.gz XWGWWQDLMKHKIA-YCPHGPKFSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532447568 288361526 /nfs/dbraw/zinc/36/15/26/288361526.db2.gz XWGWWQDLMKHKIA-YCPHGPKFSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532497574 288365582 /nfs/dbraw/zinc/36/55/82/288365582.db2.gz CGXOCEXYQXDISP-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532497574 288365584 /nfs/dbraw/zinc/36/55/84/288365584.db2.gz CGXOCEXYQXDISP-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000119710031 282032359 /nfs/dbraw/zinc/03/23/59/282032359.db2.gz SWTVSVOOMYCNSC-HNNXBMFYSA-N 2 2 291.464 3.045 20 0 CGADLP C[C@@H]1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C)S1 ZINC000543393681 288799458 /nfs/dbraw/zinc/79/94/58/288799458.db2.gz IVMDSITXZVCZBX-VXGBXAGGSA-N 2 2 293.461 3.260 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548424894 289004740 /nfs/dbraw/zinc/00/47/40/289004740.db2.gz GAVLMZYQBUQWSF-ZIAGYGMSSA-N 2 2 255.365 3.163 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000548498230 289010288 /nfs/dbraw/zinc/01/02/88/289010288.db2.gz LFDCNZSTDINOOC-QWHCGFSZSA-N 2 2 296.374 3.112 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000548498230 289010289 /nfs/dbraw/zinc/01/02/89/289010289.db2.gz LFDCNZSTDINOOC-QWHCGFSZSA-N 2 2 296.374 3.112 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC000548885279 289027995 /nfs/dbraw/zinc/02/79/95/289027995.db2.gz UJHSAFYDLWXTNJ-MJBXVCDLSA-N 2 2 269.392 3.274 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549237396 289038738 /nfs/dbraw/zinc/03/87/38/289038738.db2.gz OLNNFNYXCJFWKS-PVAVHDDUSA-N 2 2 272.436 3.253 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000550662335 289081213 /nfs/dbraw/zinc/08/12/13/289081213.db2.gz VTPIXAHLOIDOOA-OAHLLOKOSA-N 2 2 252.446 3.421 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000550662335 289081217 /nfs/dbraw/zinc/08/12/17/289081217.db2.gz VTPIXAHLOIDOOA-OAHLLOKOSA-N 2 2 252.446 3.421 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551572884 289123278 /nfs/dbraw/zinc/12/32/78/289123278.db2.gz YATBAQLTPNHYJL-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209837 289263218 /nfs/dbraw/zinc/26/32/18/289263218.db2.gz RGOCBQYYPKVTLU-MLGOLLRUSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209837 289263219 /nfs/dbraw/zinc/26/32/19/289263219.db2.gz RGOCBQYYPKVTLU-MLGOLLRUSA-N 2 2 290.838 3.401 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000556203613 289377144 /nfs/dbraw/zinc/37/71/44/289377144.db2.gz UJZHJLSDEUEULK-KQTLUZQSSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000556203613 289377146 /nfs/dbraw/zinc/37/71/46/289377146.db2.gz UJZHJLSDEUEULK-KQTLUZQSSA-N 2 2 250.430 3.028 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556411301 289390346 /nfs/dbraw/zinc/39/03/46/289390346.db2.gz BOBJVZQTSAFBPX-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000556872629 289416199 /nfs/dbraw/zinc/41/61/99/289416199.db2.gz QPJYEBPGLNSOBE-ROUUACIJSA-N 2 2 286.463 3.110 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000561778721 289654765 /nfs/dbraw/zinc/65/47/65/289654765.db2.gz VWICPIRFBHNOAC-RRFJBIMHSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000043326617 290007978 /nfs/dbraw/zinc/00/79/78/290007978.db2.gz HZNHITVKTOZGFM-GXFFZTMASA-N 2 2 272.314 3.108 20 0 CGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136204262 290196146 /nfs/dbraw/zinc/19/61/46/290196146.db2.gz ONQHWNAHFWYVNW-CJNGLKHVSA-N 2 2 296.817 3.472 20 0 CGADLP C[N@H+]1CC[C@H](C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136204262 290196150 /nfs/dbraw/zinc/19/61/50/290196150.db2.gz ONQHWNAHFWYVNW-CJNGLKHVSA-N 2 2 296.817 3.472 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)nc1 ZINC000423549608 294746080 /nfs/dbraw/zinc/74/60/80/294746080.db2.gz HWAADQDPXPKADX-SFHVURJKSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccsc2S1 ZINC000423184890 300525002 /nfs/dbraw/zinc/52/50/02/300525002.db2.gz IYKLIXOUKMMOAG-NHCYSSNCSA-N 2 2 268.451 3.015 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423438711 301288309 /nfs/dbraw/zinc/28/83/09/301288309.db2.gz HDQLXOSMYXBIBL-SUNKGSAMSA-N 2 2 282.815 3.187 20 0 CGADLP Cc1cccc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000357678836 302005668 /nfs/dbraw/zinc/00/56/68/302005668.db2.gz GBEYZCGRCYHCRY-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000282590058 303127976 /nfs/dbraw/zinc/12/79/76/303127976.db2.gz IMCJOMSXOMYESN-GJZGRUSLSA-N 2 2 279.403 3.392 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423197419 303136838 /nfs/dbraw/zinc/13/68/38/303136838.db2.gz ZHTWILYCKFZIOO-PBHICJAKSA-N 2 2 276.399 3.399 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)n1C ZINC000580330647 327837416 /nfs/dbraw/zinc/83/74/16/327837416.db2.gz QFQVRZPPUYAIKS-GOEBONIOSA-N 2 2 263.429 3.423 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000162282244 321880932 /nfs/dbraw/zinc/88/09/32/321880932.db2.gz ZQBAQUKBDZRLAB-GOSISDBHSA-N 2 2 287.451 3.070 20 0 CGADLP CC(C)c1nc(N2CCC(CCC[NH+](C)C)CC2)cc[nH+]1 ZINC000162747767 321886627 /nfs/dbraw/zinc/88/66/27/321886627.db2.gz KFKMAWVAPNHUHL-UHFFFAOYSA-N 2 2 290.455 3.158 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C1CC1)C1CC1 ZINC000564298766 322025782 /nfs/dbraw/zinc/02/57/82/322025782.db2.gz ADXSVFYNLAMGJS-UHFFFAOYSA-N 2 2 258.409 3.348 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC12CCC2 ZINC000565244170 322069611 /nfs/dbraw/zinc/06/96/11/322069611.db2.gz GILKAONIZQTCGR-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP c1cc(-c2nc(C[NH2+]CCC[NH+]3CCC3)cs2)cs1 ZINC000566474072 322125080 /nfs/dbraw/zinc/12/50/80/322125080.db2.gz NXSNSPCDRZFYFC-UHFFFAOYSA-N 2 2 293.461 3.057 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCCCOC2CCCCC2)n1C ZINC000566498433 322126753 /nfs/dbraw/zinc/12/67/53/322126753.db2.gz BARXVZQSGBPKDY-UHFFFAOYSA-N 2 2 293.455 3.338 20 0 CGADLP Cc1cccn2cc(Cn3c[nH+]c4c3C[C@@H](C)[C@@H](C)C4)[nH+]c12 ZINC000567323685 322158923 /nfs/dbraw/zinc/15/89/23/322158923.db2.gz FZTXEZDOWRVUGD-UONOGXRCSA-N 2 2 294.402 3.258 20 0 CGADLP Cc1nc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)[nH]c1C ZINC000567916167 322182790 /nfs/dbraw/zinc/18/27/90/322182790.db2.gz LRAWMZQLDJLTMK-UHFFFAOYSA-N 2 2 292.471 3.161 20 0 CGADLP Cc1[nH]c(CNC(C)(C)CC[NH+]2CCCCCC2)[nH+]c1C ZINC000567916167 322182792 /nfs/dbraw/zinc/18/27/92/322182792.db2.gz LRAWMZQLDJLTMK-UHFFFAOYSA-N 2 2 292.471 3.161 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463113 322248192 /nfs/dbraw/zinc/24/81/92/322248192.db2.gz KOSQGKJCJRMFFX-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463113 322248194 /nfs/dbraw/zinc/24/81/94/322248194.db2.gz KOSQGKJCJRMFFX-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000569966264 322261783 /nfs/dbraw/zinc/26/17/83/322261783.db2.gz PKTLXQSTXLBEAM-CYBMUJFWSA-N 2 2 280.375 3.160 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(C)cc1 ZINC000570584207 322277285 /nfs/dbraw/zinc/27/72/85/322277285.db2.gz XKIVHIHUYASKEG-MRXNPFEDSA-N 2 2 257.381 3.278 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572731998 322352228 /nfs/dbraw/zinc/35/22/28/322352228.db2.gz MDCDJKUIHSDRGY-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572731998 322352229 /nfs/dbraw/zinc/35/22/29/322352229.db2.gz MDCDJKUIHSDRGY-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000573248668 322377458 /nfs/dbraw/zinc/37/74/58/322377458.db2.gz CXWQNALXMSDVCE-OAHLLOKOSA-N 2 2 272.417 3.115 20 0 CGADLP Cc1ccsc1C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000573248668 322377461 /nfs/dbraw/zinc/37/74/61/322377461.db2.gz CXWQNALXMSDVCE-OAHLLOKOSA-N 2 2 272.417 3.115 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573505651 322391885 /nfs/dbraw/zinc/39/18/85/322391885.db2.gz KVIJRZGSYKUZSU-BLDCVEFLSA-N 2 2 276.399 3.480 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573505651 322391888 /nfs/dbraw/zinc/39/18/88/322391888.db2.gz KVIJRZGSYKUZSU-BLDCVEFLSA-N 2 2 276.399 3.480 20 0 CGADLP Cc1c[nH+]ccc1CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000397528311 329367277 /nfs/dbraw/zinc/36/72/77/329367277.db2.gz UKCVJKBFHCHMHC-OLZOCXBDSA-N 2 2 269.392 3.200 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+](C)Cc1ccccc1 ZINC000576479873 335210310 /nfs/dbraw/zinc/21/03/10/335210310.db2.gz IRZDDAUVAFEADJ-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+](C)Cc1ccccc1 ZINC000576479873 335210311 /nfs/dbraw/zinc/21/03/11/335210311.db2.gz IRZDDAUVAFEADJ-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000577214474 335323780 /nfs/dbraw/zinc/32/37/80/335323780.db2.gz XHSQHXCGNCFXOQ-IJEWVQPXSA-N 2 2 276.424 3.265 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000349400535 335463227 /nfs/dbraw/zinc/46/32/27/335463227.db2.gz CTCOKJZICQFXMV-HDMKZQKVSA-N 2 2 290.451 3.083 20 0 CGADLP CCCc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000578809277 335676995 /nfs/dbraw/zinc/67/69/95/335676995.db2.gz FTYCIIUVCULZHI-AWEZNQCLSA-N 2 2 294.402 3.306 20 0 CGADLP CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000579223565 335723069 /nfs/dbraw/zinc/72/30/69/335723069.db2.gz BFPDUEFDDRACBH-SZMVWBNQSA-N 2 2 292.467 3.065 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000581326303 336049945 /nfs/dbraw/zinc/04/99/45/336049945.db2.gz QFYVMFVSYRMGQF-FGTMMUONSA-N 2 2 274.452 3.184 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)[C@@H](C)C1 ZINC000581420553 336074115 /nfs/dbraw/zinc/07/41/15/336074115.db2.gz HITNDASTFKFQNT-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581621320 336114011 /nfs/dbraw/zinc/11/40/11/336114011.db2.gz LTKXIFTZQAOPCR-GDBMZVCRSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581621320 336114012 /nfs/dbraw/zinc/11/40/12/336114012.db2.gz LTKXIFTZQAOPCR-GDBMZVCRSA-N 2 2 269.392 3.279 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C1(C[NH3+])CCC1 ZINC000385114051 336139192 /nfs/dbraw/zinc/13/91/92/336139192.db2.gz DGKHFFALBIRMLF-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C1(C[NH3+])CCC1 ZINC000385114051 336139193 /nfs/dbraw/zinc/13/91/93/336139193.db2.gz DGKHFFALBIRMLF-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[N@H+](Cc1ccccc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000385353539 336144614 /nfs/dbraw/zinc/14/46/14/336144614.db2.gz OJHWWJFWPHKWAB-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP C[N@@H+](Cc1ccccc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000385353539 336144615 /nfs/dbraw/zinc/14/46/15/336144615.db2.gz OJHWWJFWPHKWAB-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCCC[NH2+]1 ZINC000386574593 336176523 /nfs/dbraw/zinc/17/65/23/336176523.db2.gz MUPIUXYKWQZMMV-KOLCDFICSA-N 2 2 258.818 3.022 20 0 CGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCSC2)CCC1 ZINC000386804002 336179818 /nfs/dbraw/zinc/17/98/18/336179818.db2.gz CFTUUYTZVZFWNZ-INIZCTEOSA-N 2 2 290.476 3.136 20 0 CGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCSC2)CCC1 ZINC000386804002 336179820 /nfs/dbraw/zinc/17/98/20/336179820.db2.gz CFTUUYTZVZFWNZ-INIZCTEOSA-N 2 2 290.476 3.136 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000582011097 336191330 /nfs/dbraw/zinc/19/13/30/336191330.db2.gz PVYNDOYMSNJMFR-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000582011097 336191331 /nfs/dbraw/zinc/19/13/31/336191331.db2.gz PVYNDOYMSNJMFR-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP CC[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372577775 500717280 /nfs/dbraw/zinc/71/72/80/500717280.db2.gz ZKHRHPYQVBXPID-PVAVHDDUSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372577775 500717283 /nfs/dbraw/zinc/71/72/83/500717283.db2.gz ZKHRHPYQVBXPID-PVAVHDDUSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372577775 500717285 /nfs/dbraw/zinc/71/72/85/500717285.db2.gz ZKHRHPYQVBXPID-PVAVHDDUSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372577775 500717288 /nfs/dbraw/zinc/71/72/88/500717288.db2.gz ZKHRHPYQVBXPID-PVAVHDDUSA-N 2 2 275.440 3.052 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423247843 533897292 /nfs/dbraw/zinc/89/72/92/533897292.db2.gz LRZMITWEQZAZQY-KSSFIOAISA-N 2 2 298.434 3.349 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc2ccccc21 ZINC000449234183 533898202 /nfs/dbraw/zinc/89/82/02/533898202.db2.gz PDIPRHOTBYEOGP-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc2ccccc21 ZINC000449234183 533898215 /nfs/dbraw/zinc/89/82/15/533898215.db2.gz PDIPRHOTBYEOGP-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422789996 533914090 /nfs/dbraw/zinc/91/40/90/533914090.db2.gz XGYGDMZFFOPGCM-YOEHRIQHSA-N 2 2 296.414 3.375 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000423270808 533996169 /nfs/dbraw/zinc/99/61/69/533996169.db2.gz WYHFCNROMVAHRD-BLLLJJGKSA-N 2 2 264.388 3.384 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423530048 533994447 /nfs/dbraw/zinc/99/44/47/533994447.db2.gz PCFPVOPOLCFAMK-KBXCAEBGSA-N 3 2 298.434 3.040 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000411386173 534055581 /nfs/dbraw/zinc/05/55/81/534055581.db2.gz JJOCJYJMPWBBCX-QCSYZSNVSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000411386173 534055588 /nfs/dbraw/zinc/05/55/88/534055588.db2.gz JJOCJYJMPWBBCX-QCSYZSNVSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449074931 534160630 /nfs/dbraw/zinc/16/06/30/534160630.db2.gz DGCIAMVGBMUVRC-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449074931 534160639 /nfs/dbraw/zinc/16/06/39/534160639.db2.gz DGCIAMVGBMUVRC-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300419 534265378 /nfs/dbraw/zinc/26/53/78/534265378.db2.gz MHOHSMUKMNFABF-PBHICJAKSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300419 534265381 /nfs/dbraw/zinc/26/53/81/534265381.db2.gz MHOHSMUKMNFABF-PBHICJAKSA-N 2 2 269.392 3.346 20 0 CGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[NH+]2CCCCCC2)n1 ZINC000339356077 519379085 /nfs/dbraw/zinc/37/90/85/519379085.db2.gz AJFQYQXHUVURFQ-OLZOCXBDSA-N 2 2 280.416 3.053 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000358060681 534444203 /nfs/dbraw/zinc/44/42/03/534444203.db2.gz KSIMPOLHWOPPHU-DDTOSNHZSA-N 2 2 296.867 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000358060681 534444209 /nfs/dbraw/zinc/44/42/09/534444209.db2.gz KSIMPOLHWOPPHU-DDTOSNHZSA-N 2 2 296.867 3.417 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC000423251104 534451351 /nfs/dbraw/zinc/45/13/51/534451351.db2.gz WBABFQNOJFQUHQ-ZWKOTPCHSA-N 2 2 266.388 3.272 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303364 534453693 /nfs/dbraw/zinc/45/36/93/534453693.db2.gz BBRUYTWQZZSJJA-UHQDVWGKSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303364 534453704 /nfs/dbraw/zinc/45/37/04/534453704.db2.gz BBRUYTWQZZSJJA-UHQDVWGKSA-N 2 2 288.410 3.144 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)CCC2 ZINC000449166728 534508170 /nfs/dbraw/zinc/50/81/70/534508170.db2.gz FXKMQTBSJOALSJ-GXTWGEPZSA-N 2 2 263.429 3.483 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434786702 534666154 /nfs/dbraw/zinc/66/61/54/534666154.db2.gz PIQDFYRFQKPTQN-QGZVFWFLSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434786702 534666158 /nfs/dbraw/zinc/66/61/58/534666158.db2.gz PIQDFYRFQKPTQN-QGZVFWFLSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C(F)(F)F)n1-c1ccccc1 ZINC000359135373 534741844 /nfs/dbraw/zinc/74/18/44/534741844.db2.gz FFKSKCDQVFHIDS-LLVKDONJSA-N 2 2 297.324 3.469 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163793207 524939316 /nfs/dbraw/zinc/93/93/16/524939316.db2.gz CDLGHGWWMQEYFW-KRWDZBQOSA-N 2 2 281.403 3.469 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000151532560 525464047 /nfs/dbraw/zinc/46/40/47/525464047.db2.gz ZEMXLEXBHLIWGL-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104099872 526104536 /nfs/dbraw/zinc/10/45/36/526104536.db2.gz SBZHWLKFDZJLEX-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104099872 526104542 /nfs/dbraw/zinc/10/45/42/526104542.db2.gz SBZHWLKFDZJLEX-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104099872 526104547 /nfs/dbraw/zinc/10/45/47/526104547.db2.gz SBZHWLKFDZJLEX-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104099872 526104552 /nfs/dbraw/zinc/10/45/52/526104552.db2.gz SBZHWLKFDZJLEX-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP CC(C)c1nc(NCC[NH+](C(C)C)C(C)C)cc[nH+]1 ZINC000106462125 534911528 /nfs/dbraw/zinc/91/15/28/534911528.db2.gz BFHFMKUMUBBQEU-UHFFFAOYSA-N 2 2 264.417 3.131 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H]1C ZINC000086671794 527169214 /nfs/dbraw/zinc/16/92/14/527169214.db2.gz NPTRBWHHFRMUOH-JSGCOSHPSA-N 2 2 257.381 3.123 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000449071371 527827952 /nfs/dbraw/zinc/82/79/52/527827952.db2.gz BHYJLNKUTIKGPN-ARFHVFGLSA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000423236281 527849103 /nfs/dbraw/zinc/84/91/03/527849103.db2.gz NYTUSXXNLHXORL-CABCVRRESA-N 2 2 250.386 3.099 20 0 CGADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000449062704 527859733 /nfs/dbraw/zinc/85/97/33/527859733.db2.gz JXLKKADMKJGLTJ-JKSUJKDBSA-N 2 2 263.429 3.468 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1(CC)CC ZINC000437118092 528096683 /nfs/dbraw/zinc/09/66/83/528096683.db2.gz VIYWBUUAZQEWPN-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367635206 528114399 /nfs/dbraw/zinc/11/43/99/528114399.db2.gz KURVXFKIKYFJCJ-INIZCTEOSA-N 2 2 292.471 3.353 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2oc(C(C)C)nc2C)CC1 ZINC000428228688 528195482 /nfs/dbraw/zinc/19/54/82/528195482.db2.gz LJZUNCATKWULKY-UHFFFAOYSA-N 2 2 293.455 3.413 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2oc(C(C)C)nc2C)CC1 ZINC000428228688 528195485 /nfs/dbraw/zinc/19/54/85/528195485.db2.gz LJZUNCATKWULKY-UHFFFAOYSA-N 2 2 293.455 3.413 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423360363 528209136 /nfs/dbraw/zinc/20/91/36/528209136.db2.gz LHPGWUAOJGOEFJ-GRDNDAEWSA-N 2 2 276.424 3.122 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143212 528254017 /nfs/dbraw/zinc/25/40/17/528254017.db2.gz FJSHELUTMHTPML-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143212 528254021 /nfs/dbraw/zinc/25/40/21/528254021.db2.gz FJSHELUTMHTPML-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000423236061 528332509 /nfs/dbraw/zinc/33/25/09/528332509.db2.gz BMTMCDFLTINZOU-LBPRGKRZSA-N 2 2 260.381 3.255 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423246975 528334074 /nfs/dbraw/zinc/33/40/74/528334074.db2.gz OIVLAQWNKJQCEG-GOSISDBHSA-N 2 2 268.404 3.170 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423394449 528422754 /nfs/dbraw/zinc/42/27/54/528422754.db2.gz ZRSWDWAEWSUDOA-RISCZKNCSA-N 2 2 299.256 3.488 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423318977 528475626 /nfs/dbraw/zinc/47/56/26/528475626.db2.gz LGQZVISRDOEDFQ-YGRLFVJLSA-N 2 2 282.815 3.127 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423449550 528475966 /nfs/dbraw/zinc/47/59/66/528475966.db2.gz RUFKPCSOTHXPLW-MXWKQRLJSA-N 2 2 270.804 3.125 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423311094 528511900 /nfs/dbraw/zinc/51/19/00/528511900.db2.gz PCYSJUIWNFGSST-NSHDSACASA-N 2 2 274.330 3.356 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000423306664 528516296 /nfs/dbraw/zinc/51/62/96/528516296.db2.gz FLCHQTPDXNHNAG-OAHLLOKOSA-N 2 2 264.413 3.044 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423278625 528533370 /nfs/dbraw/zinc/53/33/70/528533370.db2.gz RAXFVNBRXSHJSC-OCCSQVGLSA-N 2 2 289.448 3.444 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)oc21 ZINC000423470908 528699733 /nfs/dbraw/zinc/69/97/33/528699733.db2.gz PKYXNWWOCAFWTC-AAEUAGOBSA-N 2 2 276.380 3.219 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000423497386 528927358 /nfs/dbraw/zinc/92/73/58/528927358.db2.gz GVTVRYAMDYCXOI-JQHSSLGASA-N 2 2 290.451 3.044 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000423287734 528950950 /nfs/dbraw/zinc/95/09/50/528950950.db2.gz OCVAXDXQQJCPAN-NSHDSACASA-N 2 2 269.458 3.435 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000423226312 529008336 /nfs/dbraw/zinc/00/83/36/529008336.db2.gz QFTDZDFKUQNPED-CYBMUJFWSA-N 2 2 274.330 3.356 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427842349 529020472 /nfs/dbraw/zinc/02/04/72/529020472.db2.gz KCTBNUAYNZYPPX-HZPDHXFCSA-N 2 2 269.392 3.329 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000368099920 529023201 /nfs/dbraw/zinc/02/32/01/529023201.db2.gz GRXSTEIWBOZSGS-QWHCGFSZSA-N 2 2 275.421 3.460 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000368099920 529023207 /nfs/dbraw/zinc/02/32/07/529023207.db2.gz GRXSTEIWBOZSGS-QWHCGFSZSA-N 2 2 275.421 3.460 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436282537 529082043 /nfs/dbraw/zinc/08/20/43/529082043.db2.gz RKNAWVZZLXWJNG-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436282537 529082045 /nfs/dbraw/zinc/08/20/45/529082045.db2.gz RKNAWVZZLXWJNG-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423403613 529123392 /nfs/dbraw/zinc/12/33/92/529123392.db2.gz ZEQBLWWIJIGVPZ-CVEARBPZSA-N 2 2 293.430 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000414225540 529207776 /nfs/dbraw/zinc/20/77/76/529207776.db2.gz SEYJIFRFJGMBHR-XYPHTWIQSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000414225540 529207780 /nfs/dbraw/zinc/20/77/80/529207780.db2.gz SEYJIFRFJGMBHR-XYPHTWIQSA-N 2 2 258.409 3.210 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000459660906 534931535 /nfs/dbraw/zinc/93/15/35/534931535.db2.gz MABFPNIFBGGHRU-CABCVRRESA-N 2 2 263.429 3.157 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CCC[NH2+]1 ZINC000517229900 535918342 /nfs/dbraw/zinc/91/83/42/535918342.db2.gz HYMAMBPKXONYKW-UNQGMJICSA-N 2 2 262.397 3.023 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC([NH+](C)C)CC3)ccc2n1 ZINC000189696766 572355546 /nfs/dbraw/zinc/35/55/46/572355546.db2.gz RZVADWRPOHEMRQ-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP CSCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000076771898 617969161 /nfs/dbraw/zinc/96/91/61/617969161.db2.gz YSDOUGNSBQJLHM-ZDUSSCGKSA-N 2 2 275.421 3.104 20 0 CGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2O1 ZINC000891842389 618333235 /nfs/dbraw/zinc/33/32/35/618333235.db2.gz LFWIOYHRIMHTMT-CQSZACIVSA-N 2 2 297.402 3.044 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926361318 618559559 /nfs/dbraw/zinc/55/95/59/618559559.db2.gz MEYZSUSPGPMODO-KKUMJFAQSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926361318 618559566 /nfs/dbraw/zinc/55/95/66/618559566.db2.gz MEYZSUSPGPMODO-KKUMJFAQSA-N 2 2 286.410 3.418 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926863584 618953467 /nfs/dbraw/zinc/95/34/67/618953467.db2.gz DLEOJNVAGUDERG-GHMZBOCLSA-N 2 2 256.340 3.052 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cscn1 ZINC000162377196 619077178 /nfs/dbraw/zinc/07/71/78/619077178.db2.gz VBFASMTWFDCEGN-DGCLKSJQSA-N 2 2 278.425 3.105 20 0 CGADLP CCO[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000925657656 619112714 /nfs/dbraw/zinc/11/27/14/619112714.db2.gz DKELSUUSOILSIX-LZQZEXGQSA-N 2 2 298.430 3.442 20 0 CGADLP Fc1cc(C[NH2+]C2CCCC2)ccc1-n1cc[nH+]c1 ZINC000066875543 619176562 /nfs/dbraw/zinc/17/65/62/619176562.db2.gz AVOODVUFONORBQ-UHFFFAOYSA-N 2 2 259.328 3.044 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000236877398 619204720 /nfs/dbraw/zinc/20/47/20/619204720.db2.gz OZYACYGYYIMHEQ-OAHLLOKOSA-N 2 2 287.407 3.098 20 0 CGADLP C[N@H+](Cc1cc2ccccc2nc1Cl)CC(C)(C)C[NH3+] ZINC000093874252 619218953 /nfs/dbraw/zinc/21/89/53/619218953.db2.gz WVKRVBDDSACFBY-UHFFFAOYSA-N 2 2 291.826 3.305 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2nc1Cl)CC(C)(C)C[NH3+] ZINC000093874252 619218957 /nfs/dbraw/zinc/21/89/57/619218957.db2.gz WVKRVBDDSACFBY-UHFFFAOYSA-N 2 2 291.826 3.305 20 0 CGADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000925785131 619247284 /nfs/dbraw/zinc/24/72/84/619247284.db2.gz VJMJFPILYIDCHZ-UXIGCNINSA-N 2 2 264.438 3.177 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000317541822 619250420 /nfs/dbraw/zinc/25/04/20/619250420.db2.gz WRYJHVQHHYYLOA-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000317541822 619250422 /nfs/dbraw/zinc/25/04/22/619250422.db2.gz WRYJHVQHHYYLOA-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857951 619455254 /nfs/dbraw/zinc/45/52/54/619455254.db2.gz XMTWIUMAQDITBF-RDTXWAMCSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857951 619455260 /nfs/dbraw/zinc/45/52/60/619455260.db2.gz XMTWIUMAQDITBF-RDTXWAMCSA-N 2 2 266.388 3.275 20 0 CGADLP Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC000895110621 619734110 /nfs/dbraw/zinc/73/41/10/619734110.db2.gz RBPVPSJVJDXPNS-JCNLHEQBSA-N 2 2 296.418 3.062 20 0 CGADLP CCc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000262228491 619818234 /nfs/dbraw/zinc/81/82/34/619818234.db2.gz NOMKWNPOEGYVDE-SOUVJXGZSA-N 2 2 293.480 3.106 20 0 CGADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000925168968 620213030 /nfs/dbraw/zinc/21/30/30/620213030.db2.gz IZCWTKKBYYIGKV-UONOGXRCSA-N 2 2 261.413 3.175 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)co2)cc1 ZINC000262583704 620222823 /nfs/dbraw/zinc/22/28/23/620222823.db2.gz ZJISOHXAXUSEEJ-GOEBONIOSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)co2)cc1 ZINC000262583704 620222825 /nfs/dbraw/zinc/22/28/25/620222825.db2.gz ZJISOHXAXUSEEJ-GOEBONIOSA-N 2 2 299.418 3.067 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000897930186 620450824 /nfs/dbraw/zinc/45/08/24/620450824.db2.gz KFRUCFUDCWGPCZ-CYBMUJFWSA-N 2 2 281.469 3.304 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)c2)c[nH+]1 ZINC000897955057 620455434 /nfs/dbraw/zinc/45/54/34/620455434.db2.gz OOKUOOABOVQLSG-KCPJHIHWSA-N 2 2 273.405 3.212 20 0 CGADLP COc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)ccc1C ZINC000897982736 620462165 /nfs/dbraw/zinc/46/21/65/620462165.db2.gz QKDMLFWLRSBRQJ-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC(Cc4ccoc4)C3)cc2)c[nH+]1 ZINC000898161920 620484271 /nfs/dbraw/zinc/48/42/71/620484271.db2.gz LIBIYIOIKUMOBP-UHFFFAOYSA-N 2 2 293.370 3.140 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667192 620559030 /nfs/dbraw/zinc/55/90/30/620559030.db2.gz JUMADTLMIMCHQL-TVFCKZIOSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000924667192 620559033 /nfs/dbraw/zinc/55/90/33/620559033.db2.gz JUMADTLMIMCHQL-TVFCKZIOSA-N 2 2 296.499 3.028 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC000902444971 621322303 /nfs/dbraw/zinc/32/23/03/621322303.db2.gz OZLHHGZKQCBNEY-IIAWOOMASA-N 2 2 272.417 3.414 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902413372 621323501 /nfs/dbraw/zinc/32/35/01/621323501.db2.gz KSRDLHRLINZQOC-NSHDSACASA-N 2 2 258.365 3.137 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)(C)C ZINC000902458617 621334866 /nfs/dbraw/zinc/33/48/66/621334866.db2.gz WVIVOBTXEMMGRQ-YTWWXZCUSA-N 2 2 299.462 3.063 20 0 CGADLP c1csc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CCCC2)c1 ZINC000902471238 621341421 /nfs/dbraw/zinc/34/14/21/621341421.db2.gz KVIRUBCTUZMYRG-DSJMHWKBSA-N 2 2 276.449 3.462 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000902759493 621428477 /nfs/dbraw/zinc/42/84/77/621428477.db2.gz YMWWCFWFEYFIDK-XHSDSOJGSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N(C)C1CC1 ZINC000902794735 621450785 /nfs/dbraw/zinc/45/07/85/621450785.db2.gz YQGNRKJDQPNTOT-GJZGRUSLSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903069988 621567733 /nfs/dbraw/zinc/56/77/33/621567733.db2.gz NOJAJMDNFZGGLZ-ZVZLPEGASA-N 2 2 299.418 3.335 20 0 CGADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1F ZINC000903211576 621630146 /nfs/dbraw/zinc/63/01/46/621630146.db2.gz HCOHGQHVCDLYMY-LQDVMPOASA-N 2 2 292.373 3.212 20 0 CGADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1F ZINC000903211576 621630149 /nfs/dbraw/zinc/63/01/49/621630149.db2.gz HCOHGQHVCDLYMY-LQDVMPOASA-N 2 2 292.373 3.212 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903751028 621799826 /nfs/dbraw/zinc/79/98/26/621799826.db2.gz BPHCHZPAPJUOKX-IRXDYDNUSA-N 2 2 276.399 3.263 20 0 CGADLP FCc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903751028 621799829 /nfs/dbraw/zinc/79/98/29/621799829.db2.gz BPHCHZPAPJUOKX-IRXDYDNUSA-N 2 2 276.399 3.263 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1Br ZINC000903768942 621803662 /nfs/dbraw/zinc/80/36/62/621803662.db2.gz VOACAQPOMOTFPG-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1Br ZINC000903768942 621803666 /nfs/dbraw/zinc/80/36/66/621803666.db2.gz VOACAQPOMOTFPG-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000903822079 621816195 /nfs/dbraw/zinc/81/61/95/621816195.db2.gz WAGHDBUCSWAXLL-IAGOWNOFSA-N 2 2 284.428 3.123 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903883024 621826321 /nfs/dbraw/zinc/82/63/21/621826321.db2.gz DLWCOSGJAYGIDX-JSGCOSHPSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903883024 621826323 /nfs/dbraw/zinc/82/63/23/621826323.db2.gz DLWCOSGJAYGIDX-JSGCOSHPSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc(C[N@H+](C[C@@H]([NH3+])CC(F)F)C2CC2)cc1C ZINC000903895381 621828069 /nfs/dbraw/zinc/82/80/69/621828069.db2.gz MWBHWTLPAUMRSZ-AWEZNQCLSA-N 2 2 282.378 3.250 20 0 CGADLP Cc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)C2CC2)cc1C ZINC000903895381 621828074 /nfs/dbraw/zinc/82/80/74/621828074.db2.gz MWBHWTLPAUMRSZ-AWEZNQCLSA-N 2 2 282.378 3.250 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000904337177 621903908 /nfs/dbraw/zinc/90/39/08/621903908.db2.gz PUJDDDNWBMVRJV-LSDHHAIUSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000904337177 621903910 /nfs/dbraw/zinc/90/39/10/621903910.db2.gz PUJDDDNWBMVRJV-LSDHHAIUSA-N 2 2 275.440 3.025 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904349544 621911425 /nfs/dbraw/zinc/91/14/25/621911425.db2.gz AHVJPIOIQLLZQD-NSHDSACASA-N 2 2 274.330 3.370 20 0 CGADLP CN(C)[C@@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367759 621913411 /nfs/dbraw/zinc/91/34/11/621913411.db2.gz HYOZVWOKWWWIRS-SJORKVTESA-N 2 2 291.483 3.033 20 0 CGADLP CN(C)c1cc(-c2ccc(F)c(C[NH2+]C3CC3)c2)cc[nH+]1 ZINC000904852118 622008875 /nfs/dbraw/zinc/00/88/75/622008875.db2.gz XXMGGUXBNWMXLD-UHFFFAOYSA-N 2 2 285.366 3.206 20 0 CGADLP [NH3+]C1CC([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000906509250 622241618 /nfs/dbraw/zinc/24/16/18/622241618.db2.gz CDZSUZIUSVFKQY-UHFFFAOYSA-N 2 2 293.823 3.043 20 0 CGADLP CCCC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000906529055 622244256 /nfs/dbraw/zinc/24/42/56/622244256.db2.gz BSGIKDICFZIACB-HNNXBMFYSA-N 2 2 257.381 3.094 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000753771426 626465083 /nfs/dbraw/zinc/46/50/83/626465083.db2.gz UKAVNXHAUBGUAD-ZIAGYGMSSA-N 2 2 293.455 3.461 20 0 CGADLP Cl/C=C(\Cl)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000763532062 627163879 /nfs/dbraw/zinc/16/38/79/627163879.db2.gz DOPLABCPFAPADK-LCYFTJDESA-N 2 2 277.239 3.113 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000765357614 627246590 /nfs/dbraw/zinc/24/65/90/627246590.db2.gz HKRKOJCWMXJYFT-MRXNPFEDSA-N 2 2 287.407 3.023 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000765349794 627246657 /nfs/dbraw/zinc/24/66/57/627246657.db2.gz NLCSPRZWHIMFAI-UHFFFAOYSA-N 2 2 287.451 3.111 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772443866 627791906 /nfs/dbraw/zinc/79/19/06/627791906.db2.gz JTKXKQNJWJTPDK-ZBFHGGJFSA-N 2 2 286.423 3.352 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000775953014 628153147 /nfs/dbraw/zinc/15/31/47/628153147.db2.gz ZHFJSLHSJZWGIZ-DLBZAZTESA-N 2 2 274.452 3.329 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000777464679 628274283 /nfs/dbraw/zinc/27/42/83/628274283.db2.gz ZTYRKLQOZYUDOD-WFASDCNBSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000777464679 628274284 /nfs/dbraw/zinc/27/42/84/628274284.db2.gz ZTYRKLQOZYUDOD-WFASDCNBSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000777464679 628274286 /nfs/dbraw/zinc/27/42/86/628274286.db2.gz ZTYRKLQOZYUDOD-WFASDCNBSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000777464679 628274287 /nfs/dbraw/zinc/27/42/87/628274287.db2.gz ZTYRKLQOZYUDOD-WFASDCNBSA-N 2 2 296.842 3.121 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783244853 628693697 /nfs/dbraw/zinc/69/36/97/628693697.db2.gz WTUAJHRIYUIVDS-KBXCAEBGSA-N 2 2 287.451 3.110 20 0 CGADLP C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783637982 628734039 /nfs/dbraw/zinc/73/40/39/628734039.db2.gz XMNCWZOJWALOJD-XEZPLFJOSA-N 2 2 287.432 3.417 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790748977 629227431 /nfs/dbraw/zinc/22/74/31/629227431.db2.gz STEYCACHASQXPH-ZDUSSCGKSA-N 2 2 293.455 3.318 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483709 629588147 /nfs/dbraw/zinc/58/81/47/629588147.db2.gz YKHAKZONTCBXJA-CYBMUJFWSA-N 2 2 298.402 3.376 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863548223 629604070 /nfs/dbraw/zinc/60/40/70/629604070.db2.gz VWJXKGXREYCZOU-SMDDNHRTSA-N 2 2 293.361 3.124 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000863653240 629632143 /nfs/dbraw/zinc/63/21/43/629632143.db2.gz GFPJLKSAGYYVPX-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000863653240 629632151 /nfs/dbraw/zinc/63/21/51/629632151.db2.gz GFPJLKSAGYYVPX-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000863653776 629632927 /nfs/dbraw/zinc/63/29/27/629632927.db2.gz PIROGNDUKAUONN-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000863653776 629632929 /nfs/dbraw/zinc/63/29/29/629632929.db2.gz PIROGNDUKAUONN-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1[NH+](C)C ZINC000796910052 629858039 /nfs/dbraw/zinc/85/80/39/629858039.db2.gz AAKPDPIZCUYQGF-JFIYKMOQSA-N 2 2 287.451 3.346 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1[NH+](C)C ZINC000796910052 629858040 /nfs/dbraw/zinc/85/80/40/629858040.db2.gz AAKPDPIZCUYQGF-JFIYKMOQSA-N 2 2 287.451 3.346 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817962799 632257470 /nfs/dbraw/zinc/25/74/70/632257470.db2.gz KYOVFGUDGURSQO-GOEBONIOSA-N 2 2 286.423 3.040 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CC[N@H+]4C)C3)c2c1 ZINC000866208394 633029564 /nfs/dbraw/zinc/02/95/64/633029564.db2.gz ITMVUKZUFXILRU-WBVHZDCISA-N 2 2 281.403 3.074 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208394 633029566 /nfs/dbraw/zinc/02/95/66/633029566.db2.gz ITMVUKZUFXILRU-WBVHZDCISA-N 2 2 281.403 3.074 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866218515 633034304 /nfs/dbraw/zinc/03/43/04/633034304.db2.gz QTTGZYMFHDZZDS-JTQLQIEISA-N 2 2 293.798 3.226 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866344299 633090010 /nfs/dbraw/zinc/09/00/10/633090010.db2.gz VHBAJATVJNEBGD-CDHAZOANSA-N 2 2 299.393 3.250 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000866350854 633093078 /nfs/dbraw/zinc/09/30/78/633093078.db2.gz DKJCRNAQPGOYSM-DOTOQJQBSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000866350854 633093080 /nfs/dbraw/zinc/09/30/80/633093080.db2.gz DKJCRNAQPGOYSM-DOTOQJQBSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1F)C[NH+]1CCCCC1 ZINC000823677144 633135987 /nfs/dbraw/zinc/13/59/87/633135987.db2.gz QGVICRWGWCWJHV-LBPRGKRZSA-N 2 2 299.821 3.086 20 0 CGADLP C([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561974 633193989 /nfs/dbraw/zinc/19/39/89/633193989.db2.gz MVKAHPLNYZDODC-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561974 633193993 /nfs/dbraw/zinc/19/39/93/633193993.db2.gz MVKAHPLNYZDODC-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CCC[C@H]4[NH2+]CC[C@H]43)ccc2c1 ZINC000866722605 633236785 /nfs/dbraw/zinc/23/67/85/633236785.db2.gz AFEJROFQINJCOK-RTBURBONSA-N 2 2 280.415 3.209 20 0 CGADLP c1ccc2cc(CC[N@H+]3CCC[C@H]4[NH2+]CC[C@H]43)ccc2c1 ZINC000866722605 633236788 /nfs/dbraw/zinc/23/67/88/633236788.db2.gz AFEJROFQINJCOK-RTBURBONSA-N 2 2 280.415 3.209 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000876596127 634864352 /nfs/dbraw/zinc/86/43/52/634864352.db2.gz NRBIHVVNIVXRBA-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023194 633943582 /nfs/dbraw/zinc/94/35/82/633943582.db2.gz PZHYIMDOCUVRIH-WCXIOVBPSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000872023194 633943586 /nfs/dbraw/zinc/94/35/86/633943586.db2.gz PZHYIMDOCUVRIH-WCXIOVBPSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(O)c1F ZINC000872024716 633944889 /nfs/dbraw/zinc/94/48/89/633944889.db2.gz DIEOLLAHLITWLW-LBPRGKRZSA-N 2 2 292.398 3.056 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872041543 633964348 /nfs/dbraw/zinc/96/43/48/633964348.db2.gz UDGBBCHPXVEMAE-RWMBFGLXSA-N 2 2 280.387 3.055 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000872066415 633988863 /nfs/dbraw/zinc/98/88/63/633988863.db2.gz MUXZDMSKCSRMEI-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000872066415 633988866 /nfs/dbraw/zinc/98/88/66/633988866.db2.gz MUXZDMSKCSRMEI-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCCc3ccccc3C1)C2 ZINC000872074205 633997200 /nfs/dbraw/zinc/99/72/00/633997200.db2.gz YWIDYVHLGFRZOF-IAGOWNOFSA-N 2 2 295.430 3.194 20 0 CGADLP C1CCC2(C1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000872084653 634009515 /nfs/dbraw/zinc/00/95/15/634009515.db2.gz JVVGDPFOMVKWRR-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000872084653 634009520 /nfs/dbraw/zinc/00/95/20/634009520.db2.gz JVVGDPFOMVKWRR-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000873141775 634256947 /nfs/dbraw/zinc/25/69/47/634256947.db2.gz KMUHJPGVUPWADU-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000873141775 634256952 /nfs/dbraw/zinc/25/69/52/634256952.db2.gz KMUHJPGVUPWADU-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)nc(Cl)c1 ZINC000124406916 634263132 /nfs/dbraw/zinc/26/31/32/634263132.db2.gz CSYRJLNUPMWZDH-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)nc(Cl)c1 ZINC000124406916 634263134 /nfs/dbraw/zinc/26/31/34/634263134.db2.gz CSYRJLNUPMWZDH-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(Cl)cs1 ZINC000876956316 634936278 /nfs/dbraw/zinc/93/62/78/634936278.db2.gz JTXMAOMQSIQZMW-SNVBAGLBSA-N 2 2 298.843 3.198 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000841089482 635120802 /nfs/dbraw/zinc/12/08/02/635120802.db2.gz HRAJNYGDSJOXDS-GFCCVEGCSA-N 2 2 286.391 3.233 20 0 CGADLP CC(C)(C)C(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952150 635886475 /nfs/dbraw/zinc/88/64/75/635886475.db2.gz TWBXZJNPJISFHS-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138519 635923207 /nfs/dbraw/zinc/92/32/07/635923207.db2.gz XWFZFDUGJPGOEY-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138519 635923210 /nfs/dbraw/zinc/92/32/10/635923210.db2.gz XWFZFDUGJPGOEY-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCC1 ZINC000880138519 635923211 /nfs/dbraw/zinc/92/32/11/635923211.db2.gz XWFZFDUGJPGOEY-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC000880138519 635923214 /nfs/dbraw/zinc/92/32/14/635923214.db2.gz XWFZFDUGJPGOEY-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cs1 ZINC000880474078 636007315 /nfs/dbraw/zinc/00/73/15/636007315.db2.gz DGBKTPXTNWXBSU-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP C[C@@H]1C[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000880570000 636022902 /nfs/dbraw/zinc/02/29/02/636022902.db2.gz RPQIUPQARPQXSN-SOLBZPMBSA-N 2 2 299.418 3.029 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@H]2C=CCCC2)c2ccccc2)c[nH+]1 ZINC000880569243 636023195 /nfs/dbraw/zinc/02/31/95/636023195.db2.gz KCQDBQRLAFYHGX-DLBZAZTESA-N 2 2 267.376 3.323 20 0 CGADLP CSc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000882905056 636454770 /nfs/dbraw/zinc/45/47/70/636454770.db2.gz RRGXTZFOXPOPTC-UHFFFAOYSA-N 2 2 282.453 3.354 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848514953 636583001 /nfs/dbraw/zinc/58/30/01/636583001.db2.gz UTUWNEAKNUQKAL-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP C=C/C=C\CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000883259848 636630042 /nfs/dbraw/zinc/63/00/42/636630042.db2.gz AOGAYHDQHWLKJB-WAYWQWQTSA-N 2 2 299.462 3.443 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927776 636700962 /nfs/dbraw/zinc/70/09/62/636700962.db2.gz NKUBUAXSWDJRRC-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848927776 636700966 /nfs/dbraw/zinc/70/09/66/636700966.db2.gz NKUBUAXSWDJRRC-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387327 636729299 /nfs/dbraw/zinc/72/92/99/636729299.db2.gz VVNXHVUELZVCOB-SUMWQHHRSA-N 2 2 295.390 3.007 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000886098021 637407845 /nfs/dbraw/zinc/40/78/45/637407845.db2.gz IINLVRFBIDGJRX-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000886098021 637407849 /nfs/dbraw/zinc/40/78/49/637407849.db2.gz IINLVRFBIDGJRX-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP c1cnc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000886535191 637560435 /nfs/dbraw/zinc/56/04/35/637560435.db2.gz WFFBGHBHEZLQBV-GOSISDBHSA-N 2 2 299.462 3.456 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)n1 ZINC000852749698 637707123 /nfs/dbraw/zinc/70/71/23/637707123.db2.gz BUGSISRYUDJVLI-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000924532511 638352270 /nfs/dbraw/zinc/35/22/70/638352270.db2.gz DJHKDOSZYCLLDK-CYBMUJFWSA-N 2 2 268.364 3.105 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924580083 638366957 /nfs/dbraw/zinc/36/69/57/638366957.db2.gz UIYSACAQLOJRDN-ZDUSSCGKSA-N 2 2 279.428 3.064 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925000912 638435244 /nfs/dbraw/zinc/43/52/44/638435244.db2.gz MCCNXLWQHVWHDF-DQPZFDDXSA-N 2 2 294.483 3.044 20 0 CGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)CCC2 ZINC000925170170 638467073 /nfs/dbraw/zinc/46/70/73/638467073.db2.gz LDWRESZETDDXHF-DOTOQJQBSA-N 2 2 296.418 3.287 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000925303195 638493955 /nfs/dbraw/zinc/49/39/55/638493955.db2.gz MQTWNOPBMXIZQW-AWEZNQCLSA-N 2 2 290.455 3.132 20 0 CGADLP CCOCCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000925544391 638523320 /nfs/dbraw/zinc/52/33/20/638523320.db2.gz QRFKOLCIGSVVTC-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP CCOCCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000925544391 638523324 /nfs/dbraw/zinc/52/33/24/638523324.db2.gz QRFKOLCIGSVVTC-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCC2)c1 ZINC000925553265 638527333 /nfs/dbraw/zinc/52/73/33/638527333.db2.gz QBFOUNCXADNSOF-CRAIPNDOSA-N 2 2 299.462 3.222 20 0 CGADLP CO[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925491828 638562092 /nfs/dbraw/zinc/56/20/92/638562092.db2.gz FTWVLAKXUSVSBI-QGTPRVQTSA-N 2 2 284.403 3.052 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668689 638563644 /nfs/dbraw/zinc/56/36/44/638563644.db2.gz JVFFJTWVUNKCFE-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2s1 ZINC000925668687 638563797 /nfs/dbraw/zinc/56/37/97/638563797.db2.gz JUCQGQKEJXAUCT-HNNXBMFYSA-N 2 2 272.417 3.276 20 0 CGADLP c1cc(N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc2c1[NH2+]CC2 ZINC000925690024 638570186 /nfs/dbraw/zinc/57/01/86/638570186.db2.gz CVNAVHNVARVJTH-FUHWJXTLSA-N 2 2 285.435 3.235 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925710452 638574889 /nfs/dbraw/zinc/57/48/89/638574889.db2.gz KCWWTWKNUMOZFO-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000925712608 638576419 /nfs/dbraw/zinc/57/64/19/638576419.db2.gz IBMYLFSDBIQPSK-UGSOOPFHSA-N 2 2 295.386 3.048 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])nc1 ZINC000925719601 638578681 /nfs/dbraw/zinc/57/86/81/638578681.db2.gz POWXVYMZMAAMLQ-MAUKXSAKSA-N 2 2 297.446 3.346 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926150676 638723080 /nfs/dbraw/zinc/72/30/80/638723080.db2.gz MOQHTBNUDWQVQW-SNPRPXQTSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926150676 638723085 /nfs/dbraw/zinc/72/30/85/638723085.db2.gz MOQHTBNUDWQVQW-SNPRPXQTSA-N 2 2 293.480 3.162 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCC2)nc1 ZINC000926417288 638769212 /nfs/dbraw/zinc/76/92/12/638769212.db2.gz YNIXCUQCZXYHJT-SJORKVTESA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCC2)nc1 ZINC000926417288 638769213 /nfs/dbraw/zinc/76/92/13/638769213.db2.gz YNIXCUQCZXYHJT-SJORKVTESA-N 2 2 299.462 3.110 20 0 CGADLP CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927023220 638833066 /nfs/dbraw/zinc/83/30/66/638833066.db2.gz CQYASOLCPGKDLY-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927141587 638847084 /nfs/dbraw/zinc/84/70/84/638847084.db2.gz XCPNMOLUZUEYMB-LLVKDONJSA-N 2 2 294.826 3.020 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785517 638951325 /nfs/dbraw/zinc/95/13/25/638951325.db2.gz AYCYCTUSXPDDFV-MEDUHNTESA-N 2 2 255.365 3.220 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785517 638951327 /nfs/dbraw/zinc/95/13/27/638951327.db2.gz AYCYCTUSXPDDFV-MEDUHNTESA-N 2 2 255.365 3.220 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991283 638966474 /nfs/dbraw/zinc/96/64/74/638966474.db2.gz FIHLTRRTCVYNMC-CABCVRRESA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991283 638966476 /nfs/dbraw/zinc/96/64/76/638966476.db2.gz FIHLTRRTCVYNMC-CABCVRRESA-N 2 2 289.423 3.081 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccns1 ZINC000858579746 638997657 /nfs/dbraw/zinc/99/76/57/638997657.db2.gz YVKKOGUWPGZXIV-GFCCVEGCSA-N 2 2 279.453 3.201 20 0 CGADLP CCC[C@@H](C)c1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250424349 805606329 /nfs/dbraw/zinc/60/63/29/805606329.db2.gz DRXBCXZCDNZEEU-CYBMUJFWSA-N 2 2 286.423 3.218 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@H]4C[C@@]4(C[NH+](C)C)C3)[nH+]c12 ZINC001156376389 805678450 /nfs/dbraw/zinc/67/84/50/805678450.db2.gz OHIGUNMCFBRLDP-DNVCBOLYSA-N 2 2 295.430 3.240 20 0 CGADLP c1c[nH+]c(-c2ccc(Nc3cccc4c3CC[NH2+]C4)cc2)[nH]1 ZINC001159547695 806119538 /nfs/dbraw/zinc/11/95/38/806119538.db2.gz HRVOISBLTZDLGB-UHFFFAOYSA-N 2 2 290.370 3.466 20 0 CGADLP [NH3+]CCc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001159996009 806210173 /nfs/dbraw/zinc/21/01/73/806210173.db2.gz IDRGUDUIRWBOHT-UHFFFAOYSA-N 2 2 296.418 3.317 20 0 CGADLP COc1ccc(C)[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161207278 806358726 /nfs/dbraw/zinc/35/87/26/806358726.db2.gz LHHRDDAYEJKBNC-UHFFFAOYSA-N 2 2 291.439 3.321 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437364 806398248 /nfs/dbraw/zinc/39/82/48/806398248.db2.gz YDAYKJURJQAHOA-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437364 806398253 /nfs/dbraw/zinc/39/82/53/806398253.db2.gz YDAYKJURJQAHOA-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001254500910 806421896 /nfs/dbraw/zinc/42/18/96/806421896.db2.gz YWRMYEURVPBVDQ-LLVKDONJSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001254500910 806421900 /nfs/dbraw/zinc/42/19/00/806421900.db2.gz YWRMYEURVPBVDQ-LLVKDONJSA-N 2 2 270.779 3.053 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841417 806495789 /nfs/dbraw/zinc/49/57/89/806495789.db2.gz WHVLHDNJSVXRTD-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP CC(C)([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254843235 806495933 /nfs/dbraw/zinc/49/59/33/806495933.db2.gz HLZCYEQEJAFSHZ-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254845884 806497662 /nfs/dbraw/zinc/49/76/62/806497662.db2.gz RKSGTCRGOJWPLQ-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1nc(N[C@H]2C[C@@](C)([NH3+])C2)cc(C2CCCCC2)[nH+]1 ZINC001162328472 806555272 /nfs/dbraw/zinc/55/52/72/806555272.db2.gz CQGANQCYQXOPBA-AKAXFMLLSA-N 2 2 274.412 3.124 20 0 CGADLP Cc1cc(C)[nH+]c(NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162349988 806561936 /nfs/dbraw/zinc/56/19/36/806561936.db2.gz OOFVIAZVSRORDO-MRXNPFEDSA-N 2 2 259.397 3.033 20 0 CGADLP CCCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(CCC)[nH+]1 ZINC001162391226 806573398 /nfs/dbraw/zinc/57/33/98/806573398.db2.gz AOLHFVFXRBNOOQ-TZMCWYRMSA-N 2 2 276.428 3.063 20 0 CGADLP CCCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001255332943 806618593 /nfs/dbraw/zinc/61/85/93/806618593.db2.gz GCMXZJHTDIMFEY-CABCVRRESA-N 2 2 262.397 3.422 20 0 CGADLP CCCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001255332943 806618594 /nfs/dbraw/zinc/61/85/94/806618594.db2.gz GCMXZJHTDIMFEY-CABCVRRESA-N 2 2 262.397 3.422 20 0 CGADLP C[C@@H]1C[C@@H](CNc2[nH+]cccc2-c2ccccc2)C[NH2+]1 ZINC001162552672 806618660 /nfs/dbraw/zinc/61/86/60/806618660.db2.gz NOZYQLGPAVOSIM-ZIAGYGMSSA-N 2 2 267.376 3.159 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255380367 806628232 /nfs/dbraw/zinc/62/82/32/806628232.db2.gz JQARZMHQVFTTMK-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380367 806628234 /nfs/dbraw/zinc/62/82/34/806628234.db2.gz JQARZMHQVFTTMK-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001255510261 806657077 /nfs/dbraw/zinc/65/70/77/806657077.db2.gz JBDRDYWCISXDSR-RUXDESIVSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001255510261 806657084 /nfs/dbraw/zinc/65/70/84/806657084.db2.gz JBDRDYWCISXDSR-RUXDESIVSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H](CC(F)(F)F)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001255634593 806685997 /nfs/dbraw/zinc/68/59/97/806685997.db2.gz ADMFVIRRLFOSLF-GFCCVEGCSA-N 2 2 286.341 3.049 20 0 CGADLP COc1ccc2ccc(NC3CC4(C3)CCC[NH2+]C4)[nH+]c2c1 ZINC001162981633 806689216 /nfs/dbraw/zinc/68/92/16/806689216.db2.gz FFGJRWGMFMVQCC-UHFFFAOYSA-N 2 2 297.402 3.188 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1 ZINC000037156162 798860518 /nfs/dbraw/zinc/86/05/18/798860518.db2.gz GSGHMUKOWIEVAD-HNNXBMFYSA-N 2 2 275.371 3.227 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151109260 799054265 /nfs/dbraw/zinc/05/42/65/799054265.db2.gz VVFSYZSXYYDNLA-INIZCTEOSA-N 2 2 271.408 3.193 20 0 CGADLP CCCc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC001163366088 806750599 /nfs/dbraw/zinc/75/05/99/806750599.db2.gz RCKLAHZOZQYDEJ-CZUORRHYSA-N 2 2 290.455 3.268 20 0 CGADLP CCCc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC001163366088 806750601 /nfs/dbraw/zinc/75/06/01/806750601.db2.gz RCKLAHZOZQYDEJ-CZUORRHYSA-N 2 2 290.455 3.268 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001163370594 806752097 /nfs/dbraw/zinc/75/20/97/806752097.db2.gz LDWCTHRVWDDXSJ-DOMZBBRYSA-N 2 2 288.439 3.193 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001163370594 806752104 /nfs/dbraw/zinc/75/21/04/806752104.db2.gz LDWCTHRVWDDXSJ-DOMZBBRYSA-N 2 2 288.439 3.193 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527999114 799669460 /nfs/dbraw/zinc/66/94/60/799669460.db2.gz FFKMOWQNTMMUOR-PMPSAXMXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527999114 799669463 /nfs/dbraw/zinc/66/94/63/799669463.db2.gz FFKMOWQNTMMUOR-PMPSAXMXSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000701910346 799898425 /nfs/dbraw/zinc/89/84/25/799898425.db2.gz LSRFZVBUSNTQHH-QWHCGFSZSA-N 2 2 292.452 3.414 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000710280535 800032348 /nfs/dbraw/zinc/03/23/48/800032348.db2.gz WJDTXBHRQMJRRL-OLZOCXBDSA-N 2 2 293.480 3.176 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCC(=O)c1cccs1 ZINC001255966683 806801926 /nfs/dbraw/zinc/80/19/26/806801926.db2.gz MEUSLMLPJATSQC-AWEZNQCLSA-N 2 2 296.480 3.373 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCC(=O)c1cccs1 ZINC001255966683 806801935 /nfs/dbraw/zinc/80/19/35/806801935.db2.gz MEUSLMLPJATSQC-AWEZNQCLSA-N 2 2 296.480 3.373 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cn1 ZINC000715798896 800147203 /nfs/dbraw/zinc/14/72/03/800147203.db2.gz YESABDHWWNLUPD-AWEZNQCLSA-N 2 2 292.814 3.136 20 0 CGADLP CCC[C@H](CC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716251442 800166337 /nfs/dbraw/zinc/16/63/37/800166337.db2.gz IHTMIBALHHLKLT-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716273428 800167911 /nfs/dbraw/zinc/16/79/11/800167911.db2.gz XYNJKPTYQFTWSM-UHFFFAOYSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718093243 800211458 /nfs/dbraw/zinc/21/14/58/800211458.db2.gz RJPKLAFZEDXZRN-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718093243 800211460 /nfs/dbraw/zinc/21/14/60/800211460.db2.gz RJPKLAFZEDXZRN-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP c1cncc([C@@H]2CCCC[N@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256076082 806812999 /nfs/dbraw/zinc/81/29/99/806812999.db2.gz AYTAZASELZARAR-SFHVURJKSA-N 2 2 285.435 3.235 20 0 CGADLP c1cncc([C@@H]2CCCC[N@@H+]2C2CC[NH+](C3CC3)CC2)c1 ZINC001256076082 806813008 /nfs/dbraw/zinc/81/30/08/806813008.db2.gz AYTAZASELZARAR-SFHVURJKSA-N 2 2 285.435 3.235 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000721594063 800295979 /nfs/dbraw/zinc/29/59/79/800295979.db2.gz NLGIWMWITNKDTR-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000721594063 800295983 /nfs/dbraw/zinc/29/59/83/800295983.db2.gz NLGIWMWITNKDTR-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)n1 ZINC000722408901 800323457 /nfs/dbraw/zinc/32/34/57/800323457.db2.gz QJEWKBJUTLYBJH-LSDHHAIUSA-N 2 2 293.480 3.263 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(N[C@H](C)C[NH+](C)C)c1 ZINC001163785908 806827804 /nfs/dbraw/zinc/82/78/04/806827804.db2.gz JKXBZPSHNFGVEF-CQSZACIVSA-N 2 2 263.429 3.203 20 0 CGADLP COc1cc[nH+]cc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163897586 806848076 /nfs/dbraw/zinc/84/80/76/806848076.db2.gz HDECUYPZCSXDPN-UHFFFAOYSA-N 2 2 287.750 3.146 20 0 CGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208663 806849995 /nfs/dbraw/zinc/84/99/95/806849995.db2.gz MAUIWZGGCURBLZ-CQSZACIVSA-N 2 2 278.827 3.224 20 0 CGADLP C[NH+]1CCC([N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208663 806850004 /nfs/dbraw/zinc/85/00/04/806850004.db2.gz MAUIWZGGCURBLZ-CQSZACIVSA-N 2 2 278.827 3.224 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256551724 806915604 /nfs/dbraw/zinc/91/56/04/806915604.db2.gz VELAGOXSMCQISC-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551724 806915609 /nfs/dbraw/zinc/91/56/09/806915609.db2.gz VELAGOXSMCQISC-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551724 806915616 /nfs/dbraw/zinc/91/56/16/806915616.db2.gz VELAGOXSMCQISC-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551724 806915626 /nfs/dbraw/zinc/91/56/26/806915626.db2.gz VELAGOXSMCQISC-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001256569323 806918417 /nfs/dbraw/zinc/91/84/17/806918417.db2.gz ASUQMSMAQJWWQJ-HUUCEWRRSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001256569323 806918420 /nfs/dbraw/zinc/91/84/20/806918420.db2.gz ASUQMSMAQJWWQJ-HUUCEWRRSA-N 2 2 264.457 3.371 20 0 CGADLP CCOCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172430166 808307713 /nfs/dbraw/zinc/30/77/13/808307713.db2.gz FQMYVSABUNTVPG-OAHLLOKOSA-N 2 2 282.472 3.140 20 0 CGADLP CCOCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172430166 808307723 /nfs/dbraw/zinc/30/77/23/808307723.db2.gz FQMYVSABUNTVPG-OAHLLOKOSA-N 2 2 282.472 3.140 20 0 CGADLP CC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC001119440603 802665377 /nfs/dbraw/zinc/66/53/77/802665377.db2.gz PPXMJWQXAJYBLF-BCLQGDPASA-N 2 2 255.365 3.013 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205074786 812848051 /nfs/dbraw/zinc/84/80/51/812848051.db2.gz ALVHXKXNFOZXIL-ZFWWWQNUSA-N 2 2 276.424 3.176 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205074786 812848060 /nfs/dbraw/zinc/84/80/60/812848060.db2.gz ALVHXKXNFOZXIL-ZFWWWQNUSA-N 2 2 276.424 3.176 20 0 CGADLP CNc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244828751 803540441 /nfs/dbraw/zinc/54/04/41/803540441.db2.gz MMKYRPIMYRJUJU-QGZVFWFLSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244828751 803540444 /nfs/dbraw/zinc/54/04/44/803540444.db2.gz MMKYRPIMYRJUJU-QGZVFWFLSA-N 2 2 299.393 3.067 20 0 CGADLP Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)[nH+]c1N ZINC001245346449 803706535 /nfs/dbraw/zinc/70/65/35/803706535.db2.gz LVPGHWXYNCODCF-AWEZNQCLSA-N 2 2 253.349 3.064 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245355811 803710989 /nfs/dbraw/zinc/71/09/89/803710989.db2.gz LPTBONRQXUEXIM-MRXNPFEDSA-N 2 2 293.370 3.434 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137293772 803711876 /nfs/dbraw/zinc/71/18/76/803711876.db2.gz ABIGPLUJVVXBHJ-RYUDHWBXSA-N 2 2 284.856 3.093 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)[nH]1 ZINC001137331975 803716165 /nfs/dbraw/zinc/71/61/65/803716165.db2.gz BCAGAGVWVZUUNK-UHFFFAOYSA-N 2 2 275.440 3.082 20 0 CGADLP CCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)c(C)c1 ZINC001138437747 803937109 /nfs/dbraw/zinc/93/71/09/803937109.db2.gz ZYYBGNDYAQYZNU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)c(C)c1 ZINC001138437747 803937118 /nfs/dbraw/zinc/93/71/18/803937118.db2.gz ZYYBGNDYAQYZNU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCCc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)s1 ZINC001138528280 803960997 /nfs/dbraw/zinc/96/09/97/803960997.db2.gz RXDJQHQDAAPGLQ-UHFFFAOYSA-N 2 2 277.437 3.419 20 0 CGADLP CCCc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)s1 ZINC001138528280 803961002 /nfs/dbraw/zinc/96/10/02/803961002.db2.gz RXDJQHQDAAPGLQ-UHFFFAOYSA-N 2 2 277.437 3.419 20 0 CGADLP CCCCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139053252 804118042 /nfs/dbraw/zinc/11/80/42/804118042.db2.gz YSIDTMQNZQWPQV-UHFFFAOYSA-N 2 2 290.451 3.141 20 0 CGADLP CCCCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139053252 804118047 /nfs/dbraw/zinc/11/80/47/804118047.db2.gz YSIDTMQNZQWPQV-UHFFFAOYSA-N 2 2 290.451 3.141 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246087515 804120849 /nfs/dbraw/zinc/12/08/49/804120849.db2.gz OUEFLQFIWTUVGB-IKGGRYGDSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@]1(C)CC[NH2+]C1 ZINC001246096145 804128856 /nfs/dbraw/zinc/12/88/56/804128856.db2.gz ITEOGGUFTSEZMM-SMDDNHRTSA-N 2 2 284.856 3.162 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246159193 804175933 /nfs/dbraw/zinc/17/59/33/804175933.db2.gz JJGUBHIFBHEYPF-ZSBIGDGJSA-N 2 2 284.806 3.406 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341243 804177129 /nfs/dbraw/zinc/17/71/29/804177129.db2.gz FLNSPWGPOZFSPM-PKOBYXMFSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341243 804177135 /nfs/dbraw/zinc/17/71/35/804177135.db2.gz FLNSPWGPOZFSPM-PKOBYXMFSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341243 804177137 /nfs/dbraw/zinc/17/71/37/804177137.db2.gz FLNSPWGPOZFSPM-PKOBYXMFSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341243 804177141 /nfs/dbraw/zinc/17/71/41/804177141.db2.gz FLNSPWGPOZFSPM-PKOBYXMFSA-N 2 2 296.414 3.071 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246160886 804177569 /nfs/dbraw/zinc/17/75/69/804177569.db2.gz VYEVSXQYROLVCX-FICVDOATSA-N 2 2 282.378 3.364 20 0 CGADLP F[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356682 804181831 /nfs/dbraw/zinc/18/18/31/804181831.db2.gz QPSNMWLAAAOFCE-OAHLLOKOSA-N 2 2 273.355 3.196 20 0 CGADLP F[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356682 804181835 /nfs/dbraw/zinc/18/18/35/804181835.db2.gz QPSNMWLAAAOFCE-OAHLLOKOSA-N 2 2 273.355 3.196 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210206 804208102 /nfs/dbraw/zinc/20/81/02/804208102.db2.gz IQOVHELUXRJMMJ-NWDGAFQWSA-N 2 2 264.800 3.059 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246271466 804249583 /nfs/dbraw/zinc/24/95/83/804249583.db2.gz ISXUOYXZWWDJDC-WQVCFCJDSA-N 2 2 264.388 3.397 20 0 CGADLP F/C=C(\CCc1ccc(F)cc1)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246281625 804255890 /nfs/dbraw/zinc/25/58/90/804255890.db2.gz XHGIIFYFRIEUTP-GSPCDJLXSA-N 2 2 294.389 3.343 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246287780 804260848 /nfs/dbraw/zinc/26/08/48/804260848.db2.gz KUYAXRDRIJSYIS-JKSUJKDBSA-N 2 2 264.388 3.399 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246294798 804264715 /nfs/dbraw/zinc/26/47/15/804264715.db2.gz NAMGBZFJIJVLPC-PMPSAXMXSA-N 2 2 270.461 3.092 20 0 CGADLP CCCCCC1CCC([NH2+]C[C@@H]2CSCC[NH2+]2)CC1 ZINC001246336525 804291068 /nfs/dbraw/zinc/29/10/68/804291068.db2.gz NOTJYHUXRFDUHW-UYSNPLJNSA-N 2 2 284.513 3.420 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)C[NH2+]1 ZINC001246348595 804298466 /nfs/dbraw/zinc/29/84/66/804298466.db2.gz SFNZOKBRSSDUNL-ZFWWWQNUSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H]3CC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246407396 804323624 /nfs/dbraw/zinc/32/36/24/804323624.db2.gz QGVYTZFYXNKBJQ-OAHLLOKOSA-N 2 2 294.389 3.351 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246411547 804326108 /nfs/dbraw/zinc/32/61/08/804326108.db2.gz FJDAMGPXDSYLJE-MRXNPFEDSA-N 2 2 258.409 3.106 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C)C1 ZINC001140021137 804352776 /nfs/dbraw/zinc/35/27/76/804352776.db2.gz ICSDSCDWUAGREN-ZDUSSCGKSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C)C1 ZINC001140021137 804352781 /nfs/dbraw/zinc/35/27/81/804352781.db2.gz ICSDSCDWUAGREN-ZDUSSCGKSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]1CF ZINC001140029241 804355882 /nfs/dbraw/zinc/35/58/82/804355882.db2.gz JZDCBCWIBTUVNE-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]1CF ZINC001140029241 804355890 /nfs/dbraw/zinc/35/58/90/804355890.db2.gz JZDCBCWIBTUVNE-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC001140029541 804356418 /nfs/dbraw/zinc/35/64/18/804356418.db2.gz OCSSYGRTORNMLU-YOEHRIQHSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC001140029541 804356422 /nfs/dbraw/zinc/35/64/22/804356422.db2.gz OCSSYGRTORNMLU-YOEHRIQHSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001246497755 804360539 /nfs/dbraw/zinc/36/05/39/804360539.db2.gz QOVZJXYGRDBWLD-ILXRZTDVSA-N 2 2 278.465 3.063 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C[NH2+]1 ZINC001246503121 804363741 /nfs/dbraw/zinc/36/37/41/804363741.db2.gz YDIFMDMNPQRMDB-HSMVNMDESA-N 2 2 278.827 3.448 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC001246508713 804367870 /nfs/dbraw/zinc/36/78/70/804367870.db2.gz XUQDMZXPDFABTL-OTWHNJEPSA-N 2 2 296.414 3.196 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246525977 804378533 /nfs/dbraw/zinc/37/85/33/804378533.db2.gz UTAHRQDJCKBCHO-ZDUSSCGKSA-N 2 2 299.245 3.146 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[C@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246525977 804378540 /nfs/dbraw/zinc/37/85/40/804378540.db2.gz UTAHRQDJCKBCHO-ZDUSSCGKSA-N 2 2 299.245 3.146 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546081 804396932 /nfs/dbraw/zinc/39/69/32/804396932.db2.gz FFAALLAJYBHISV-HZPDHXFCSA-N 2 2 270.461 3.046 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546081 804396925 /nfs/dbraw/zinc/39/69/25/804396925.db2.gz FFAALLAJYBHISV-HZPDHXFCSA-N 2 2 270.461 3.046 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589469 804431482 /nfs/dbraw/zinc/43/14/82/804431482.db2.gz OEKQEMXEONWCPR-MCIONIFRSA-N 2 2 292.389 3.366 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589469 804431487 /nfs/dbraw/zinc/43/14/87/804431487.db2.gz OEKQEMXEONWCPR-MCIONIFRSA-N 2 2 292.389 3.366 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246611397 804444861 /nfs/dbraw/zinc/44/48/61/804444861.db2.gz PKSUSSNLAQJGSP-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246611397 804444866 /nfs/dbraw/zinc/44/48/66/804444866.db2.gz PKSUSSNLAQJGSP-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639729 804480956 /nfs/dbraw/zinc/48/09/56/804480956.db2.gz NYVDAOAWBFKPPS-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639729 804480959 /nfs/dbraw/zinc/48/09/59/804480959.db2.gz NYVDAOAWBFKPPS-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639729 804480961 /nfs/dbraw/zinc/48/09/61/804480961.db2.gz NYVDAOAWBFKPPS-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639729 804480965 /nfs/dbraw/zinc/48/09/65/804480965.db2.gz NYVDAOAWBFKPPS-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001140677149 804486949 /nfs/dbraw/zinc/48/69/49/804486949.db2.gz BVGUIWICJHVJHP-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001140677149 804486953 /nfs/dbraw/zinc/48/69/53/804486953.db2.gz BVGUIWICJHVJHP-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)[N@H+](Cc1cc(Cl)ccc1N)C1CC[NH+](C)CC1 ZINC001140719094 804496049 /nfs/dbraw/zinc/49/60/49/804496049.db2.gz OGZLLFZHRSGOIO-UHFFFAOYSA-N 2 2 295.858 3.227 20 0 CGADLP CC(C)[N@@H+](Cc1cc(Cl)ccc1N)C1CC[NH+](C)CC1 ZINC001140719094 804496054 /nfs/dbraw/zinc/49/60/54/804496054.db2.gz OGZLLFZHRSGOIO-UHFFFAOYSA-N 2 2 295.858 3.227 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911918 807010310 /nfs/dbraw/zinc/01/03/10/807010310.db2.gz XSGBYVPVPIWYTG-DLTWYDFYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256911918 807010313 /nfs/dbraw/zinc/01/03/13/807010313.db2.gz XSGBYVPVPIWYTG-DLTWYDFYSA-N 2 2 264.457 3.418 20 0 CGADLP Fc1ccc(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246784687 804509357 /nfs/dbraw/zinc/50/93/57/804509357.db2.gz IDPLWHWPLVRINP-QGZVFWFLSA-N 2 2 276.399 3.147 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001246789246 804513606 /nfs/dbraw/zinc/51/36/06/804513606.db2.gz CJBSFYWTKDQLIR-NHYWBVRUSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001246789246 804513609 /nfs/dbraw/zinc/51/36/09/804513609.db2.gz CJBSFYWTKDQLIR-NHYWBVRUSA-N 2 2 268.351 3.100 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246841140 804550507 /nfs/dbraw/zinc/55/05/07/804550507.db2.gz TXXZSEARYWBVQF-IUODEOHRSA-N 2 2 266.816 3.302 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246841140 804550511 /nfs/dbraw/zinc/55/05/11/804550511.db2.gz TXXZSEARYWBVQF-IUODEOHRSA-N 2 2 266.816 3.302 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246853484 804562551 /nfs/dbraw/zinc/56/25/51/804562551.db2.gz MHOTWPJKDSZHOL-LALPHHSUSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246853484 804562552 /nfs/dbraw/zinc/56/25/52/804562552.db2.gz MHOTWPJKDSZHOL-LALPHHSUSA-N 2 2 296.867 3.244 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001246864279 804567940 /nfs/dbraw/zinc/56/79/40/804567940.db2.gz SSWSETVLOKPJPC-KKUMJFAQSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001246864279 804567946 /nfs/dbraw/zinc/56/79/46/804567946.db2.gz SSWSETVLOKPJPC-KKUMJFAQSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001246866366 804569867 /nfs/dbraw/zinc/56/98/67/804569867.db2.gz JNIXRWIEWHPCLS-PMPSAXMXSA-N 2 2 290.476 3.159 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001246866366 804569872 /nfs/dbraw/zinc/56/98/72/804569872.db2.gz JNIXRWIEWHPCLS-PMPSAXMXSA-N 2 2 290.476 3.159 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(Sc3ccccc3)CC2)C[NH2+]1 ZINC001246874064 804575061 /nfs/dbraw/zinc/57/50/61/804575061.db2.gz IAPLMHGUNXVPHN-GJZGRUSLSA-N 2 2 290.476 3.384 20 0 CGADLP CCSC[C@H](C)[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924439 804603752 /nfs/dbraw/zinc/60/37/52/804603752.db2.gz MNCXILKUMATLQA-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CCSC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246924439 804603756 /nfs/dbraw/zinc/60/37/56/804603756.db2.gz MNCXILKUMATLQA-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246940110 804609970 /nfs/dbraw/zinc/60/99/70/804609970.db2.gz XBZPNZWCNGRTCW-CZUORRHYSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246940110 804609977 /nfs/dbraw/zinc/60/99/77/804609977.db2.gz XBZPNZWCNGRTCW-CZUORRHYSA-N 2 2 264.388 3.178 20 0 CGADLP COc1cccc(C2CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246944394 804612405 /nfs/dbraw/zinc/61/24/05/804612405.db2.gz XGHMDEHLDQTZTP-RHSMWYFYSA-N 2 2 288.435 3.015 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946206 804614243 /nfs/dbraw/zinc/61/42/43/804614243.db2.gz OCZPOLAMVRVIHI-SJORKVTESA-N 2 2 278.415 3.161 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946206 804614248 /nfs/dbraw/zinc/61/42/48/804614248.db2.gz OCZPOLAMVRVIHI-SJORKVTESA-N 2 2 278.415 3.161 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141234770 804618711 /nfs/dbraw/zinc/61/87/11/804618711.db2.gz WEBRXFYPBQRGPY-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP CCCCCC1CCC([N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)CC1 ZINC001246983123 804627828 /nfs/dbraw/zinc/62/78/28/804627828.db2.gz AFVZXHRADIVRJK-ABHNRTSZSA-N 2 2 294.483 3.190 20 0 CGADLP CCCCCC1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)CC1 ZINC001246983123 804627831 /nfs/dbraw/zinc/62/78/31/804627831.db2.gz AFVZXHRADIVRJK-ABHNRTSZSA-N 2 2 294.483 3.190 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001165291027 806988492 /nfs/dbraw/zinc/98/84/92/806988492.db2.gz YBOVZDYGEKMSPD-OAHLLOKOSA-N 2 2 298.434 3.231 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001165291027 806988497 /nfs/dbraw/zinc/98/84/97/806988497.db2.gz YBOVZDYGEKMSPD-OAHLLOKOSA-N 2 2 298.434 3.231 20 0 CGADLP CC1(C)OCCC12CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143035269 804798484 /nfs/dbraw/zinc/79/84/84/804798484.db2.gz IURXFVNTOUEASX-UHFFFAOYSA-N 2 2 299.418 3.115 20 0 CGADLP Cc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930435 804909257 /nfs/dbraw/zinc/90/92/57/804909257.db2.gz QXUCUNYIDZMBQW-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930435 804909260 /nfs/dbraw/zinc/90/92/60/804909260.db2.gz QXUCUNYIDZMBQW-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930435 804909263 /nfs/dbraw/zinc/90/92/63/804909263.db2.gz QXUCUNYIDZMBQW-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1C(F)(F)F ZINC001143930435 804909265 /nfs/dbraw/zinc/90/92/65/804909265.db2.gz QXUCUNYIDZMBQW-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c2ccoc2ccc1F ZINC001248545650 804948214 /nfs/dbraw/zinc/94/82/14/804948214.db2.gz KEAGTLIOKDRSES-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c2ccoc2ccc1F ZINC001248545650 804948219 /nfs/dbraw/zinc/94/82/19/804948219.db2.gz KEAGTLIOKDRSES-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001154975019 805516115 /nfs/dbraw/zinc/51/61/15/805516115.db2.gz GPWJVHCPUMJGAP-CVEARBPZSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1cc(Cl)c(C)c(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154986859 805519150 /nfs/dbraw/zinc/51/91/50/805519150.db2.gz UWGGIKSBIFURIO-WDEREUQCSA-N 2 2 253.777 3.034 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2ccccc2c[nH+]1 ZINC001155019915 805523621 /nfs/dbraw/zinc/52/36/21/805523621.db2.gz GPDKQIDBGMVBLN-UKRRQHHQSA-N 2 2 269.392 3.282 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2ccccc2c[nH+]1 ZINC001155019913 805524193 /nfs/dbraw/zinc/52/41/93/805524193.db2.gz GPDKQIDBGMVBLN-HIFRSBDPSA-N 2 2 269.392 3.282 20 0 CGADLP C[C@@H]1C[C@@H](CNc2[nH+]ccc3cc(Cl)ccc32)C[NH2+]1 ZINC001155101571 805538825 /nfs/dbraw/zinc/53/88/25/805538825.db2.gz ZJHGIXRUUQUYOG-GHMZBOCLSA-N 2 2 275.783 3.298 20 0 CGADLP Cc1cc(NC[C@]2(F)CCCC[NH2+]C2)[nH+]c2ccccc12 ZINC001155116255 805541291 /nfs/dbraw/zinc/54/12/91/805541291.db2.gz HCRUUZRWQLGPEK-KRWDZBQOSA-N 2 2 287.382 3.437 20 0 CGADLP Cc1cc(NCc2ccc3c(c2)CC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001155272125 805567025 /nfs/dbraw/zinc/56/70/25/805567025.db2.gz GLFSNTXRYMHDAG-UHFFFAOYSA-N 2 2 296.418 3.166 20 0 CGADLP CCSc1cc[nH+]c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001166902571 807112349 /nfs/dbraw/zinc/11/23/49/807112349.db2.gz WJRWLPOLQPRPDO-OAHLLOKOSA-N 2 2 291.464 3.162 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001257358287 807121776 /nfs/dbraw/zinc/12/17/76/807121776.db2.gz ZFNWTGSLKWSIDX-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001257358287 807121782 /nfs/dbraw/zinc/12/17/82/807121782.db2.gz ZFNWTGSLKWSIDX-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCCC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257364304 807126482 /nfs/dbraw/zinc/12/64/82/807126482.db2.gz XIWZBAIZJFJJDJ-CYBMUJFWSA-N 2 2 263.429 3.411 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257462894 807168320 /nfs/dbraw/zinc/16/83/20/807168320.db2.gz GRUPNDUCZIJMKL-OLZOCXBDSA-N 2 2 251.418 3.470 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001258017747 807266953 /nfs/dbraw/zinc/26/69/53/807266953.db2.gz NTFFORGMBBBGMT-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001258017747 807266957 /nfs/dbraw/zinc/26/69/57/807266957.db2.gz NTFFORGMBBBGMT-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001258052762 807278448 /nfs/dbraw/zinc/27/84/48/807278448.db2.gz RSOVIFDXHUSSCB-LSDHHAIUSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@H](Cc1ccco1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258183090 807347840 /nfs/dbraw/zinc/34/78/40/807347840.db2.gz HGYYYXQPDSVNMG-CYBMUJFWSA-N 2 2 281.359 3.406 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)SC ZINC001258316926 807406919 /nfs/dbraw/zinc/40/69/19/807406919.db2.gz UNRFPPBDLDBTIR-ZDUSSCGKSA-N 2 2 260.491 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)SC ZINC001258316926 807406924 /nfs/dbraw/zinc/40/69/24/807406924.db2.gz UNRFPPBDLDBTIR-ZDUSSCGKSA-N 2 2 260.491 3.228 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258451083 807457832 /nfs/dbraw/zinc/45/78/32/807457832.db2.gz FZJVCEITNDJTMQ-YGRLFVJLSA-N 2 2 297.240 3.227 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258785820 807611596 /nfs/dbraw/zinc/61/15/96/807611596.db2.gz XLDFMGUMSHCCKG-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258785820 807611603 /nfs/dbraw/zinc/61/16/03/807611603.db2.gz XLDFMGUMSHCCKG-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001169241311 807612927 /nfs/dbraw/zinc/61/29/27/807612927.db2.gz SVJUMMHOFWLEPR-MRXNPFEDSA-N 2 2 293.842 3.260 20 0 CGADLP C[C@@H]1CCC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258831061 807646991 /nfs/dbraw/zinc/64/69/91/807646991.db2.gz YSPVZCSWXVSCPN-HIFRSBDPSA-N 2 2 291.414 3.358 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001170070015 807746842 /nfs/dbraw/zinc/74/68/42/807746842.db2.gz AMSFMUQFFVVJJN-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001170070015 807746843 /nfs/dbraw/zinc/74/68/43/807746843.db2.gz AMSFMUQFFVVJJN-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001170109344 807760417 /nfs/dbraw/zinc/76/04/17/807760417.db2.gz NXXSPQBMVXBKMJ-GOEBONIOSA-N 2 2 273.424 3.076 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170730870 807889717 /nfs/dbraw/zinc/88/97/17/807889717.db2.gz LZMWUGLUDCIXQY-ZQDZILKHSA-N 2 2 264.457 3.131 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170730870 807889721 /nfs/dbraw/zinc/88/97/21/807889721.db2.gz LZMWUGLUDCIXQY-ZQDZILKHSA-N 2 2 264.457 3.131 20 0 CGADLP Cc1cc(Nc2cc[nH+]cc2)c[nH+]c1N1CCCC[C@@H]1C ZINC001262671513 807893012 /nfs/dbraw/zinc/89/30/12/807893012.db2.gz HTFMQILTVAZJGO-AWEZNQCLSA-N 2 2 282.391 3.329 20 0 CGADLP Fc1cccc2c1C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001170948256 807942281 /nfs/dbraw/zinc/94/22/81/807942281.db2.gz DLOQAOOGOFBUQY-MRXNPFEDSA-N 2 2 290.426 3.149 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCc3cc(Cl)ccc3C2)c1CC[NH3+] ZINC001171093810 807981134 /nfs/dbraw/zinc/98/11/34/807981134.db2.gz ILWDNUZSIVBHTA-OAHLLOKOSA-N 2 2 289.810 3.076 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447673 808059963 /nfs/dbraw/zinc/05/99/63/808059963.db2.gz FFYMPNBXHDIVBO-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447673 808059968 /nfs/dbraw/zinc/05/99/68/808059968.db2.gz FFYMPNBXHDIVBO-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cnccc2Cl)CC1(C)C ZINC001171613770 808105583 /nfs/dbraw/zinc/10/55/83/808105583.db2.gz PNEJDAVMVNPNIN-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cccnc2Cl)CC1(C)C ZINC001171622034 808105991 /nfs/dbraw/zinc/10/59/91/808105991.db2.gz RVTZXEIFGBTUMD-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(O)cc2F)CC1(C)C ZINC001171625703 808107403 /nfs/dbraw/zinc/10/74/03/808107403.db2.gz MTNMSKYZJVQJMR-UHFFFAOYSA-N 2 2 294.414 3.272 20 0 CGADLP C[N@H+](Cc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628676 808108121 /nfs/dbraw/zinc/10/81/21/808108121.db2.gz FUXJZCHKRPMUNZ-UHFFFAOYSA-N 2 2 275.440 3.165 20 0 CGADLP C[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171628676 808108124 /nfs/dbraw/zinc/10/81/24/808108124.db2.gz FUXJZCHKRPMUNZ-UHFFFAOYSA-N 2 2 275.440 3.165 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001171683094 808123761 /nfs/dbraw/zinc/12/37/61/808123761.db2.gz ZGKZVLXYCUQXCK-WDSOQIARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001171683094 808123764 /nfs/dbraw/zinc/12/37/64/808123764.db2.gz ZGKZVLXYCUQXCK-WDSOQIARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001171683094 808123767 /nfs/dbraw/zinc/12/37/67/808123767.db2.gz ZGKZVLXYCUQXCK-WDSOQIARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001171683094 808123769 /nfs/dbraw/zinc/12/37/69/808123769.db2.gz ZGKZVLXYCUQXCK-WDSOQIARSA-N 2 2 286.463 3.342 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172368567 808263619 /nfs/dbraw/zinc/26/36/19/808263619.db2.gz JFLDWRBWKGMFJM-JONQDZQNSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172368567 808263625 /nfs/dbraw/zinc/26/36/25/808263625.db2.gz JFLDWRBWKGMFJM-JONQDZQNSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383794 808277054 /nfs/dbraw/zinc/27/70/54/808277054.db2.gz RYPUSNGXUWNSSU-ALYAQQCSSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383794 808277062 /nfs/dbraw/zinc/27/70/62/808277062.db2.gz RYPUSNGXUWNSSU-ALYAQQCSSA-N 2 2 282.447 3.319 20 0 CGADLP CCOCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172411642 808298916 /nfs/dbraw/zinc/29/89/16/808298916.db2.gz QOSJUNMIMXUXJR-WMZOPIPTSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531807 808369948 /nfs/dbraw/zinc/36/99/48/808369948.db2.gz ARIRYENFDWLRES-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531807 808369956 /nfs/dbraw/zinc/36/99/56/808369956.db2.gz ARIRYENFDWLRES-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172840706 808455196 /nfs/dbraw/zinc/45/51/96/808455196.db2.gz FMXRVXVXZNNPGH-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172840706 808455199 /nfs/dbraw/zinc/45/51/99/808455199.db2.gz FMXRVXVXZNNPGH-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172860425 808464768 /nfs/dbraw/zinc/46/47/68/808464768.db2.gz CULSSIXGQRBESD-SWLSCSKDSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172860425 808464771 /nfs/dbraw/zinc/46/47/71/808464771.db2.gz CULSSIXGQRBESD-SWLSCSKDSA-N 2 2 298.833 3.482 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172866536 808469174 /nfs/dbraw/zinc/46/91/74/808469174.db2.gz UMHZFAUUEFOMMW-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172866536 808469180 /nfs/dbraw/zinc/46/91/80/808469180.db2.gz UMHZFAUUEFOMMW-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP CO[C@H]1CCC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001172930841 808486771 /nfs/dbraw/zinc/48/67/71/808486771.db2.gz RZOMKMANUXVUHP-HOTGVXAUSA-N 2 2 285.391 3.139 20 0 CGADLP CO[C@@H]1CCC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001172930845 808486906 /nfs/dbraw/zinc/48/69/06/808486906.db2.gz RZOMKMANUXVUHP-JKSUJKDBSA-N 2 2 285.391 3.139 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001173272493 808575648 /nfs/dbraw/zinc/57/56/48/808575648.db2.gz KDGHRQYCISOSHR-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001173272493 808575655 /nfs/dbraw/zinc/57/56/55/808575655.db2.gz KDGHRQYCISOSHR-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275265600 808923470 /nfs/dbraw/zinc/92/34/70/808923470.db2.gz ONKZOXKOLWELPS-GOSISDBHSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001275265600 808923475 /nfs/dbraw/zinc/92/34/75/808923475.db2.gz ONKZOXKOLWELPS-GOSISDBHSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275265600 808923477 /nfs/dbraw/zinc/92/34/77/808923477.db2.gz ONKZOXKOLWELPS-GOSISDBHSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275265600 808923483 /nfs/dbraw/zinc/92/34/83/808923483.db2.gz ONKZOXKOLWELPS-GOSISDBHSA-N 2 2 288.435 3.003 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)ccn1 ZINC001275889499 808974402 /nfs/dbraw/zinc/97/44/02/808974402.db2.gz TZMFYIAZSZHINP-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)ccn1 ZINC001275889499 808974405 /nfs/dbraw/zinc/97/44/05/808974405.db2.gz TZMFYIAZSZHINP-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)ccn1 ZINC001275889499 808974412 /nfs/dbraw/zinc/97/44/12/808974412.db2.gz TZMFYIAZSZHINP-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)ccn1 ZINC001275889499 808974414 /nfs/dbraw/zinc/97/44/14/808974414.db2.gz TZMFYIAZSZHINP-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP CC(C)n1c[nH+]c2cc(Nc3c[nH+]cn3C)ccc21 ZINC001174382099 808985841 /nfs/dbraw/zinc/98/58/41/808985841.db2.gz XWMHKANABVGPJU-UHFFFAOYSA-N 2 2 255.325 3.094 20 0 CGADLP CC(C)[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277796576 809096207 /nfs/dbraw/zinc/09/62/07/809096207.db2.gz GVZBCFJFMIMFGZ-KRWDZBQOSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277796576 809096213 /nfs/dbraw/zinc/09/62/13/809096213.db2.gz GVZBCFJFMIMFGZ-KRWDZBQOSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277796576 809096217 /nfs/dbraw/zinc/09/62/17/809096217.db2.gz GVZBCFJFMIMFGZ-KRWDZBQOSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277796576 809096224 /nfs/dbraw/zinc/09/62/24/809096224.db2.gz GVZBCFJFMIMFGZ-KRWDZBQOSA-N 2 2 275.440 3.101 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cnc1C1CC1 ZINC001277828418 809100672 /nfs/dbraw/zinc/10/06/72/809100672.db2.gz NYQSEDQSTWYVJN-LJQANCHMSA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cnc1C1CC1 ZINC001277828418 809100674 /nfs/dbraw/zinc/10/06/74/809100674.db2.gz NYQSEDQSTWYVJN-LJQANCHMSA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cnc1C1CC1 ZINC001277828418 809100676 /nfs/dbraw/zinc/10/06/76/809100676.db2.gz NYQSEDQSTWYVJN-LJQANCHMSA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cnc1C1CC1 ZINC001277828418 809100679 /nfs/dbraw/zinc/10/06/79/809100679.db2.gz NYQSEDQSTWYVJN-LJQANCHMSA-N 2 2 299.462 3.185 20 0 CGADLP Cc1cc[nH+]c(C)c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174814831 809170212 /nfs/dbraw/zinc/17/02/12/809170212.db2.gz FUGDXLBJLVDZHR-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1cc(C)c(Nc2ccc3c(c2)C[N@H+](C)CC3)c[nH+]1 ZINC001213520815 815296441 /nfs/dbraw/zinc/29/64/41/815296441.db2.gz IXJGOOHNJHTZAU-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1cc(C)c(Nc2ccc3c(c2)C[N@@H+](C)CC3)c[nH+]1 ZINC001213520815 815296444 /nfs/dbraw/zinc/29/64/44/815296444.db2.gz IXJGOOHNJHTZAU-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001175968752 809585999 /nfs/dbraw/zinc/58/59/99/809585999.db2.gz JELIQGQWMXEDEH-UHFFFAOYSA-N 2 2 278.359 3.134 20 0 CGADLP COc1cc[nH+]cc1Nc1cc[nH+]c(C2CCC2)c1 ZINC001176119634 809627918 /nfs/dbraw/zinc/62/79/18/809627918.db2.gz XGIKLMIBQIGYTO-UHFFFAOYSA-N 2 2 255.321 3.496 20 0 CGADLP COc1cc(Nc2ccc(C[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001176290233 809662395 /nfs/dbraw/zinc/66/23/95/809662395.db2.gz CRTISHWFYAVHMY-UHFFFAOYSA-N 2 2 271.364 3.204 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001179830482 809948654 /nfs/dbraw/zinc/94/86/54/809948654.db2.gz RQIRSZMOKZBUFO-GFCCVEGCSA-N 2 2 270.367 3.175 20 0 CGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510317 811874882 /nfs/dbraw/zinc/87/48/82/811874882.db2.gz ZPFCLAQXBSGILF-SOUVJXGZSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510317 811874892 /nfs/dbraw/zinc/87/48/92/811874892.db2.gz ZPFCLAQXBSGILF-SOUVJXGZSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201510317 811874898 /nfs/dbraw/zinc/87/48/98/811874898.db2.gz ZPFCLAQXBSGILF-SOUVJXGZSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201510317 811874908 /nfs/dbraw/zinc/87/49/08/811874908.db2.gz ZPFCLAQXBSGILF-SOUVJXGZSA-N 2 2 293.480 3.085 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203035092 812223408 /nfs/dbraw/zinc/22/34/08/812223408.db2.gz RKVYUNFAAZKIQJ-UHFFFAOYSA-N 2 2 284.447 3.234 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203035092 812223412 /nfs/dbraw/zinc/22/34/12/812223412.db2.gz RKVYUNFAAZKIQJ-UHFFFAOYSA-N 2 2 284.447 3.234 20 0 CGADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204165172 812560848 /nfs/dbraw/zinc/56/08/48/812560848.db2.gz RMIXULUTLASZJK-UHFFFAOYSA-N 2 2 298.352 3.376 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204454672 812643571 /nfs/dbraw/zinc/64/35/71/812643571.db2.gz FJQDGIWJNOOILT-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001204454672 812643576 /nfs/dbraw/zinc/64/35/76/812643576.db2.gz FJQDGIWJNOOILT-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904005 812770732 /nfs/dbraw/zinc/77/07/32/812770732.db2.gz JQOZUUIXCGUXAZ-QGZVFWFLSA-N 2 2 266.388 3.071 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904005 812770736 /nfs/dbraw/zinc/77/07/36/812770736.db2.gz JQOZUUIXCGUXAZ-QGZVFWFLSA-N 2 2 266.388 3.071 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001204932291 812782600 /nfs/dbraw/zinc/78/26/00/812782600.db2.gz IZOOBGGQXHRJBX-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001204932291 812782604 /nfs/dbraw/zinc/78/26/04/812782604.db2.gz IZOOBGGQXHRJBX-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c(Cl)c1 ZINC001205015763 812827070 /nfs/dbraw/zinc/82/70/70/812827070.db2.gz FEBVQFWVERLTQV-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c(Cl)c1 ZINC001205015763 812827081 /nfs/dbraw/zinc/82/70/81/812827081.db2.gz FEBVQFWVERLTQV-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205124401 812879156 /nfs/dbraw/zinc/87/91/56/812879156.db2.gz QGLPVZQCICFPKK-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205124401 812879167 /nfs/dbraw/zinc/87/91/67/812879167.db2.gz QGLPVZQCICFPKK-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001205164621 812895770 /nfs/dbraw/zinc/89/57/70/812895770.db2.gz JBSFXVDHKRZNKJ-CRAIPNDOSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001205164621 812895780 /nfs/dbraw/zinc/89/57/80/812895780.db2.gz JBSFXVDHKRZNKJ-CRAIPNDOSA-N 2 2 280.415 3.176 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205182605 812900265 /nfs/dbraw/zinc/90/02/65/812900265.db2.gz CKJGCXPCLGOEPX-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205182605 812900271 /nfs/dbraw/zinc/90/02/71/812900271.db2.gz CKJGCXPCLGOEPX-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205265151 812921772 /nfs/dbraw/zinc/92/17/72/812921772.db2.gz NUSBHBPPDWZSOZ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205265151 812921780 /nfs/dbraw/zinc/92/17/80/812921780.db2.gz NUSBHBPPDWZSOZ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205332486 812959166 /nfs/dbraw/zinc/95/91/66/812959166.db2.gz QFNPCXMTBJXMHP-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205332486 812959169 /nfs/dbraw/zinc/95/91/69/812959169.db2.gz QFNPCXMTBJXMHP-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCC1 ZINC001205435166 812982241 /nfs/dbraw/zinc/98/22/41/812982241.db2.gz XLLZMWPEGILGFB-CQSZACIVSA-N 2 2 292.854 3.271 20 0 CGADLP CO[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC001205517289 812993883 /nfs/dbraw/zinc/99/38/83/812993883.db2.gz MALFQITWGPXVPW-KRWDZBQOSA-N 2 2 294.483 3.047 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205814515 813092306 /nfs/dbraw/zinc/09/23/06/813092306.db2.gz CIYTXEMXVLCBRM-HOCLYGCPSA-N 2 2 290.451 3.378 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205814515 813092312 /nfs/dbraw/zinc/09/23/12/813092312.db2.gz CIYTXEMXVLCBRM-HOCLYGCPSA-N 2 2 290.451 3.378 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205816914 813095099 /nfs/dbraw/zinc/09/50/99/813095099.db2.gz PAEXCUAMYPLYDY-JSGCOSHPSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205816914 813095109 /nfs/dbraw/zinc/09/51/09/813095109.db2.gz PAEXCUAMYPLYDY-JSGCOSHPSA-N 2 2 274.433 3.461 20 0 CGADLP CCc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(CC)c1O ZINC001205826572 813099087 /nfs/dbraw/zinc/09/90/87/813099087.db2.gz AIOVFCJDINFWIL-GUYCJALGSA-N 2 2 290.451 3.076 20 0 CGADLP CCc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(CC)c1O ZINC001205826572 813099098 /nfs/dbraw/zinc/09/90/98/813099098.db2.gz AIOVFCJDINFWIL-GUYCJALGSA-N 2 2 290.451 3.076 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938088 813140277 /nfs/dbraw/zinc/14/02/77/813140277.db2.gz FKKUONWHAUMGDX-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938088 813140282 /nfs/dbraw/zinc/14/02/82/813140282.db2.gz FKKUONWHAUMGDX-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205933071 813140383 /nfs/dbraw/zinc/14/03/83/813140383.db2.gz XHJIHLYPCJQJGX-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205933071 813140385 /nfs/dbraw/zinc/14/03/85/813140385.db2.gz XHJIHLYPCJQJGX-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cnc1-c1ccccc1 ZINC001205939883 813141362 /nfs/dbraw/zinc/14/13/62/813141362.db2.gz VHMGWUOQKVBMHU-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cnc1-c1ccccc1 ZINC001205939883 813141367 /nfs/dbraw/zinc/14/13/67/813141367.db2.gz VHMGWUOQKVBMHU-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2Cl)CC[C@@H]1F ZINC001206153986 813217134 /nfs/dbraw/zinc/21/71/34/813217134.db2.gz FYLDHRUOUKPPGM-GJZGRUSLSA-N 2 2 284.806 3.034 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@@H]1F ZINC001206153986 813217140 /nfs/dbraw/zinc/21/71/40/813217140.db2.gz FYLDHRUOUKPPGM-GJZGRUSLSA-N 2 2 284.806 3.034 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc(C)c1OC(C)C ZINC001206284646 813271603 /nfs/dbraw/zinc/27/16/03/813271603.db2.gz FNZNJRRGFOCUEO-CQSZACIVSA-N 2 2 290.451 3.132 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc(C)c1OC(C)C ZINC001206284646 813271606 /nfs/dbraw/zinc/27/16/06/813271606.db2.gz FNZNJRRGFOCUEO-CQSZACIVSA-N 2 2 290.451 3.132 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001206542233 813345320 /nfs/dbraw/zinc/34/53/20/813345320.db2.gz VUQZWBNZEBKGTL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001206542233 813345326 /nfs/dbraw/zinc/34/53/26/813345326.db2.gz VUQZWBNZEBKGTL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC001207275424 813530707 /nfs/dbraw/zinc/53/07/07/813530707.db2.gz IVXFQEDCSPVGJG-ZACQAIPSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1(C)C ZINC001207275424 813530712 /nfs/dbraw/zinc/53/07/12/813530712.db2.gz IVXFQEDCSPVGJG-ZACQAIPSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1(C)C ZINC001207275424 813530717 /nfs/dbraw/zinc/53/07/17/813530717.db2.gz IVXFQEDCSPVGJG-ZACQAIPSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1(C)C ZINC001207275424 813530724 /nfs/dbraw/zinc/53/07/24/813530724.db2.gz IVXFQEDCSPVGJG-ZACQAIPSSA-N 2 2 276.468 3.395 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2ccccc2OC)CC1 ZINC001207455671 813567452 /nfs/dbraw/zinc/56/74/52/813567452.db2.gz FKVSFHUWESROGT-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP CS[C@@H](C)CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208147229 813706896 /nfs/dbraw/zinc/70/68/96/813706896.db2.gz GQIQKDSYRCILDI-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP CS[C@@H](C)CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208147229 813706899 /nfs/dbraw/zinc/70/68/99/813706899.db2.gz GQIQKDSYRCILDI-AWEZNQCLSA-N 2 2 284.513 3.467 20 0 CGADLP C[NH+]1CCC([N@H+](CCC2CC2)C2CCCC2)CC1 ZINC001208686028 813796885 /nfs/dbraw/zinc/79/68/85/813796885.db2.gz HDBHVVAHRBQKSA-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC([N@@H+](CCC2CC2)C2CCCC2)CC1 ZINC001208686028 813796890 /nfs/dbraw/zinc/79/68/90/813796890.db2.gz HDBHVVAHRBQKSA-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001209734233 814125456 /nfs/dbraw/zinc/12/54/56/814125456.db2.gz OSYMYTKVBZUUPA-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001209734233 814125461 /nfs/dbraw/zinc/12/54/61/814125461.db2.gz OSYMYTKVBZUUPA-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222153811 816361791 /nfs/dbraw/zinc/36/17/91/816361791.db2.gz APMNKXFMZXYPBC-INIZCTEOSA-N 2 2 296.817 3.363 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222153811 816361796 /nfs/dbraw/zinc/36/17/96/816361796.db2.gz APMNKXFMZXYPBC-INIZCTEOSA-N 2 2 296.817 3.363 20 0 CGADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237408 816382578 /nfs/dbraw/zinc/38/25/78/816382578.db2.gz IJUASHNIIZXHKH-INIZCTEOSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237408 816382588 /nfs/dbraw/zinc/38/25/88/816382588.db2.gz IJUASHNIIZXHKH-INIZCTEOSA-N 2 2 296.361 3.006 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001242991699 823200952 /nfs/dbraw/zinc/20/09/52/823200952.db2.gz CNFKNPQVVBYSIT-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380013 816423810 /nfs/dbraw/zinc/42/38/10/816423810.db2.gz QGKDMTQEHBEWIW-UHFFFAOYSA-N 2 2 297.446 3.261 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390644 816428375 /nfs/dbraw/zinc/42/83/75/816428375.db2.gz SSRHYJBTZGGEQL-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390644 816428379 /nfs/dbraw/zinc/42/83/79/816428379.db2.gz SSRHYJBTZGGEQL-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CC[NH+](CC)Cc1cc(C)ccc1-c1c[nH+]cn1C ZINC001243072441 823235642 /nfs/dbraw/zinc/23/56/42/823235642.db2.gz OTPVOJLVEWUOOS-UHFFFAOYSA-N 2 2 257.381 3.237 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001227261420 817610435 /nfs/dbraw/zinc/61/04/35/817610435.db2.gz AOSXOBZWUZBVOF-JKSUJKDBSA-N 2 2 297.402 3.308 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001227261420 817610439 /nfs/dbraw/zinc/61/04/39/817610439.db2.gz AOSXOBZWUZBVOF-JKSUJKDBSA-N 2 2 297.402 3.308 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(Cl)c1 ZINC001231425878 818097921 /nfs/dbraw/zinc/09/79/21/818097921.db2.gz ZJCVCSLZYKBFHP-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(Cl)c1 ZINC001231425878 818097926 /nfs/dbraw/zinc/09/79/26/818097926.db2.gz ZJCVCSLZYKBFHP-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CNc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001232675170 818417828 /nfs/dbraw/zinc/41/78/28/818417828.db2.gz KLZKALPRKFRCKH-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP CNc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001232675170 818417831 /nfs/dbraw/zinc/41/78/31/818417831.db2.gz KLZKALPRKFRCKH-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1O ZINC001243307914 823338640 /nfs/dbraw/zinc/33/86/40/823338640.db2.gz JKNZHRUCZVDCFV-GOSISDBHSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1O ZINC001243307914 823338647 /nfs/dbraw/zinc/33/86/47/823338647.db2.gz JKNZHRUCZVDCFV-GOSISDBHSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)sc1C ZINC001233691607 818682322 /nfs/dbraw/zinc/68/23/22/818682322.db2.gz DYPZRCBMDVORRV-UHFFFAOYSA-N 2 2 275.421 3.399 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001234589384 818887831 /nfs/dbraw/zinc/88/78/31/818887831.db2.gz ZVZCOYUFSPAZKV-INIZCTEOSA-N 2 2 290.407 3.300 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001234589384 818887834 /nfs/dbraw/zinc/88/78/34/818887834.db2.gz ZVZCOYUFSPAZKV-INIZCTEOSA-N 2 2 290.407 3.300 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235003426 818976632 /nfs/dbraw/zinc/97/66/32/818976632.db2.gz MZZJLGZIMWIKHP-GJZGRUSLSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235003426 818976640 /nfs/dbraw/zinc/97/66/40/818976640.db2.gz MZZJLGZIMWIKHP-GJZGRUSLSA-N 2 2 298.352 3.074 20 0 CGADLP c1ccc(Oc2ccccc2C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235025526 818982245 /nfs/dbraw/zinc/98/22/45/818982245.db2.gz DSHGGFGNGAEEBK-FUHWJXTLSA-N 2 2 294.398 3.273 20 0 CGADLP c1ccc(Oc2ccccc2C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235025526 818982249 /nfs/dbraw/zinc/98/22/49/818982249.db2.gz DSHGGFGNGAEEBK-FUHWJXTLSA-N 2 2 294.398 3.273 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1F ZINC001235044776 818990029 /nfs/dbraw/zinc/99/00/29/818990029.db2.gz KJEBUHNOSUDBJF-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(F)c1F ZINC001235044776 818990035 /nfs/dbraw/zinc/99/00/35/818990035.db2.gz KJEBUHNOSUDBJF-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001235065065 818993314 /nfs/dbraw/zinc/99/33/14/818993314.db2.gz JKCKSKZOZLTFFF-SFHVURJKSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001235065065 818993315 /nfs/dbraw/zinc/99/33/15/818993315.db2.gz JKCKSKZOZLTFFF-SFHVURJKSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c21 ZINC001235117750 819010626 /nfs/dbraw/zinc/01/06/26/819010626.db2.gz SFSPADIMJIWGED-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c21 ZINC001235117750 819010627 /nfs/dbraw/zinc/01/06/27/819010627.db2.gz SFSPADIMJIWGED-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)s1 ZINC001235179576 819025504 /nfs/dbraw/zinc/02/55/04/819025504.db2.gz SDGOCBOMQHFNSL-INIZCTEOSA-N 2 2 278.465 3.419 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)s1 ZINC001235179576 819025509 /nfs/dbraw/zinc/02/55/09/819025509.db2.gz SDGOCBOMQHFNSL-INIZCTEOSA-N 2 2 278.465 3.419 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc12 ZINC001235256197 819052241 /nfs/dbraw/zinc/05/22/41/819052241.db2.gz GEHOTFICJGTPMQ-RHSMWYFYSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc12 ZINC001235256197 819052248 /nfs/dbraw/zinc/05/22/48/819052248.db2.gz GEHOTFICJGTPMQ-RHSMWYFYSA-N 2 2 292.382 3.380 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(CC)n2)CC1 ZINC001235266021 819057588 /nfs/dbraw/zinc/05/75/88/819057588.db2.gz HUMCKXRFHJIPMS-UHFFFAOYSA-N 2 2 289.467 3.340 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(CC)n2)CC1 ZINC001235266021 819057592 /nfs/dbraw/zinc/05/75/92/819057592.db2.gz HUMCKXRFHJIPMS-UHFFFAOYSA-N 2 2 289.467 3.340 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235343663 819073242 /nfs/dbraw/zinc/07/32/42/819073242.db2.gz WZTQNAIBOZJWRA-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235343663 819073245 /nfs/dbraw/zinc/07/32/45/819073245.db2.gz WZTQNAIBOZJWRA-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP C[N@H+](CCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235343713 819074058 /nfs/dbraw/zinc/07/40/58/819074058.db2.gz YOEJJKGPQHLAJS-ZDUSSCGKSA-N 2 2 287.234 3.220 20 0 CGADLP C[N@@H+](CCc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235343713 819074064 /nfs/dbraw/zinc/07/40/64/819074064.db2.gz YOEJJKGPQHLAJS-ZDUSSCGKSA-N 2 2 287.234 3.220 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001235364125 819080458 /nfs/dbraw/zinc/08/04/58/819080458.db2.gz VHJGNJUQODZCMI-IBGZPJMESA-N 2 2 280.415 3.005 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001235364125 819080464 /nfs/dbraw/zinc/08/04/64/819080464.db2.gz VHJGNJUQODZCMI-IBGZPJMESA-N 2 2 280.415 3.005 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2ccccc2F)CO1 ZINC001235719513 819151573 /nfs/dbraw/zinc/15/15/73/819151573.db2.gz VPGCTSMSAXNSHN-XJKSGUPXSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2ccccc2F)CO1 ZINC001235719513 819151576 /nfs/dbraw/zinc/15/15/76/819151576.db2.gz VPGCTSMSAXNSHN-XJKSGUPXSA-N 2 2 292.398 3.077 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)s1 ZINC001235903715 819213122 /nfs/dbraw/zinc/21/31/22/819213122.db2.gz ITTYZGOMJJLBEC-OLZOCXBDSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)s1 ZINC001235903715 819213125 /nfs/dbraw/zinc/21/31/25/819213125.db2.gz ITTYZGOMJJLBEC-OLZOCXBDSA-N 2 2 266.454 3.402 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908520 819217574 /nfs/dbraw/zinc/21/75/74/819217574.db2.gz YCSVXHAPFLDEMY-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908520 819217577 /nfs/dbraw/zinc/21/75/77/819217577.db2.gz YCSVXHAPFLDEMY-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CC[NH2+]C1 ZINC001235971335 819254623 /nfs/dbraw/zinc/25/46/23/819254623.db2.gz UYRXNSXJHLOWPP-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CC[NH2+]C1 ZINC001235971335 819254632 /nfs/dbraw/zinc/25/46/32/819254632.db2.gz UYRXNSXJHLOWPP-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CC[NH2+]C1 ZINC001235970940 819254910 /nfs/dbraw/zinc/25/49/10/819254910.db2.gz WVVHIVBJKRVQNE-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CC[NH2+]C1 ZINC001235970940 819254914 /nfs/dbraw/zinc/25/49/14/819254914.db2.gz WVVHIVBJKRVQNE-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987524 819260153 /nfs/dbraw/zinc/26/01/53/819260153.db2.gz DTZGNUFNGSESCQ-PXNSSMCTSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987524 819260158 /nfs/dbraw/zinc/26/01/58/819260158.db2.gz DTZGNUFNGSESCQ-PXNSSMCTSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989684 819261831 /nfs/dbraw/zinc/26/18/31/819261831.db2.gz JGBBVVYGYKLFRI-IAGOWNOFSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989684 819261847 /nfs/dbraw/zinc/26/18/47/819261847.db2.gz JGBBVVYGYKLFRI-IAGOWNOFSA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236005894 819270311 /nfs/dbraw/zinc/27/03/11/819270311.db2.gz GFPUBIKHHHVBIA-QGZVFWFLSA-N 2 2 284.403 3.119 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236005894 819270314 /nfs/dbraw/zinc/27/03/14/819270314.db2.gz GFPUBIKHHHVBIA-QGZVFWFLSA-N 2 2 284.403 3.119 20 0 CGADLP CC[N@H+](Cc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001236009573 819273597 /nfs/dbraw/zinc/27/35/97/819273597.db2.gz NKTKVPPZXRLDQD-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001236009573 819273601 /nfs/dbraw/zinc/27/36/01/819273601.db2.gz NKTKVPPZXRLDQD-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3sccc32)C1 ZINC001236051835 819288698 /nfs/dbraw/zinc/28/86/98/819288698.db2.gz NRUJBNHYKHJMPT-DGCLKSJQSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3sccc32)C1 ZINC001236051835 819288701 /nfs/dbraw/zinc/28/87/01/819288701.db2.gz NRUJBNHYKHJMPT-DGCLKSJQSA-N 2 2 260.406 3.070 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001236085860 819307597 /nfs/dbraw/zinc/30/75/97/819307597.db2.gz XOTCBOYIFVJCAD-FZMZJTMJSA-N 2 2 266.816 3.039 20 0 CGADLP CC[C@H]([NH3+])C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001236085860 819307603 /nfs/dbraw/zinc/30/76/03/819307603.db2.gz XOTCBOYIFVJCAD-FZMZJTMJSA-N 2 2 266.816 3.039 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC001236144013 819344860 /nfs/dbraw/zinc/34/48/60/819344860.db2.gz ONSVPPOIUJPDOU-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC001236144013 819344867 /nfs/dbraw/zinc/34/48/67/819344867.db2.gz ONSVPPOIUJPDOU-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(C)c1 ZINC001236144692 819344924 /nfs/dbraw/zinc/34/49/24/819344924.db2.gz UEPWCFMIIWEBNG-UHFFFAOYSA-N 2 2 298.430 3.355 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(C)c1 ZINC001236144692 819344928 /nfs/dbraw/zinc/34/49/28/819344928.db2.gz UEPWCFMIIWEBNG-UHFFFAOYSA-N 2 2 298.430 3.355 20 0 CGADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001236160836 819349785 /nfs/dbraw/zinc/34/97/85/819349785.db2.gz JRWDCJWARZKBHR-FCEWJHQRSA-N 2 2 298.430 3.474 20 0 CGADLP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001236160836 819349786 /nfs/dbraw/zinc/34/97/86/819349786.db2.gz JRWDCJWARZKBHR-FCEWJHQRSA-N 2 2 298.430 3.474 20 0 CGADLP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236172678 819353876 /nfs/dbraw/zinc/35/38/76/819353876.db2.gz JJBYLXAZBMENNJ-MRXNPFEDSA-N 2 2 299.393 3.127 20 0 CGADLP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236172678 819353884 /nfs/dbraw/zinc/35/38/84/819353884.db2.gz JJBYLXAZBMENNJ-MRXNPFEDSA-N 2 2 299.393 3.127 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207460 819369787 /nfs/dbraw/zinc/36/97/87/819369787.db2.gz OEDZLTPXODAGQI-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207460 819369792 /nfs/dbraw/zinc/36/97/92/819369792.db2.gz OEDZLTPXODAGQI-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217405 819381959 /nfs/dbraw/zinc/38/19/59/819381959.db2.gz OYUYVVWDJPOQNA-NEPJUHHUSA-N 2 2 258.818 3.103 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217405 819381962 /nfs/dbraw/zinc/38/19/62/819381962.db2.gz OYUYVVWDJPOQNA-NEPJUHHUSA-N 2 2 258.818 3.103 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217618 819382620 /nfs/dbraw/zinc/38/26/20/819382620.db2.gz PKLKEJLOKQRIAS-ZIAGYGMSSA-N 2 2 282.815 3.050 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217618 819382624 /nfs/dbraw/zinc/38/26/24/819382624.db2.gz PKLKEJLOKQRIAS-ZIAGYGMSSA-N 2 2 282.815 3.050 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236239595 819399621 /nfs/dbraw/zinc/39/96/21/819399621.db2.gz HYLMBNCRZZPWOA-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP CCC[N@H+](Cc1cccc(C(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC001236324458 819425344 /nfs/dbraw/zinc/42/53/44/819425344.db2.gz QKBSYLKLAZSGLH-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC001236324458 819425348 /nfs/dbraw/zinc/42/53/48/819425348.db2.gz QKBSYLKLAZSGLH-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+](Cc1cccc(Cl)c1C)[C@@H]1CC[NH2+]C1 ZINC001236324332 819425672 /nfs/dbraw/zinc/42/56/72/819425672.db2.gz PDKDFNGTGRKTFG-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@H+](Cc1ccc2ccn(CC)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324499 819425663 /nfs/dbraw/zinc/42/56/63/819425663.db2.gz WCOGXFCNWMTXPJ-QGZVFWFLSA-N 2 2 285.435 3.235 20 0 CGADLP CCC[N@@H+](Cc1ccc2ccn(CC)c2c1)[C@@H]1CC[NH2+]C1 ZINC001236324499 819425665 /nfs/dbraw/zinc/42/56/65/819425665.db2.gz WCOGXFCNWMTXPJ-QGZVFWFLSA-N 2 2 285.435 3.235 20 0 CGADLP CCC[N@@H+](Cc1cccc(Cl)c1C)[C@@H]1CC[NH2+]C1 ZINC001236324332 819425674 /nfs/dbraw/zinc/42/56/74/819425674.db2.gz PDKDFNGTGRKTFG-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP C[N@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411655 819457421 /nfs/dbraw/zinc/45/74/21/819457421.db2.gz OXQKOLRNWGDPPG-IMRBUKKESA-N 2 2 292.835 3.204 20 0 CGADLP C[N@@H+](Cc1sc(Cl)c2ccccc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411655 819457429 /nfs/dbraw/zinc/45/74/29/819457429.db2.gz OXQKOLRNWGDPPG-IMRBUKKESA-N 2 2 292.835 3.204 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236416966 819462249 /nfs/dbraw/zinc/46/22/49/819462249.db2.gz BITRTJOIQYOKQB-BXUZGUMPSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236416966 819462255 /nfs/dbraw/zinc/46/22/55/819462255.db2.gz BITRTJOIQYOKQB-BXUZGUMPSA-N 2 2 286.341 3.325 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417346 819463444 /nfs/dbraw/zinc/46/34/44/819463444.db2.gz YRLCJUCIAIXBPU-BXUZGUMPSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417346 819463448 /nfs/dbraw/zinc/46/34/48/819463448.db2.gz YRLCJUCIAIXBPU-BXUZGUMPSA-N 2 2 286.341 3.060 20 0 CGADLP c1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236444233 819481510 /nfs/dbraw/zinc/48/15/10/819481510.db2.gz YSOQARFFVXJZAT-INIZCTEOSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+](C[C@@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236444233 819481513 /nfs/dbraw/zinc/48/15/13/819481513.db2.gz YSOQARFFVXJZAT-INIZCTEOSA-N 2 2 258.409 3.183 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521553 819514514 /nfs/dbraw/zinc/51/45/14/819514514.db2.gz DYHMKACAIPCWAU-WMZOPIPTSA-N 2 2 272.436 3.440 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521553 819514522 /nfs/dbraw/zinc/51/45/22/819514522.db2.gz DYHMKACAIPCWAU-WMZOPIPTSA-N 2 2 272.436 3.440 20 0 CGADLP CC(C)[N@H+](Cc1ccc2occc2c1)[C@H]1CC[NH2+]C1 ZINC001236530132 819521101 /nfs/dbraw/zinc/52/11/01/819521101.db2.gz PQUZDVMIFICHFP-HNNXBMFYSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2occc2c1)[C@H]1CC[NH2+]C1 ZINC001236530132 819521105 /nfs/dbraw/zinc/52/11/05/819521105.db2.gz PQUZDVMIFICHFP-HNNXBMFYSA-N 2 2 258.365 3.005 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1Cl ZINC001236529634 819521146 /nfs/dbraw/zinc/52/11/46/819521146.db2.gz PDXMQTYMIFGFRP-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1Cl ZINC001236529634 819521147 /nfs/dbraw/zinc/52/11/47/819521147.db2.gz PDXMQTYMIFGFRP-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP CCC[C@H](C)C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646640 819559513 /nfs/dbraw/zinc/55/95/13/819559513.db2.gz HCTDZGDQTQAJFZ-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H](C)C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646640 819559517 /nfs/dbraw/zinc/55/95/17/819559517.db2.gz HCTDZGDQTQAJFZ-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001236884705 819630713 /nfs/dbraw/zinc/63/07/13/819630713.db2.gz QCMWHUTXMIYTTK-IBGZPJMESA-N 2 2 282.431 3.447 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001236884705 819630717 /nfs/dbraw/zinc/63/07/17/819630717.db2.gz QCMWHUTXMIYTTK-IBGZPJMESA-N 2 2 282.431 3.447 20 0 CGADLP Fc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c2occc21 ZINC001236895243 819633714 /nfs/dbraw/zinc/63/37/14/819633714.db2.gz OYNGRUYEMXFRNC-UHFFFAOYSA-N 2 2 288.366 3.242 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(COc2ccccc2)cc1 ZINC001236908585 819636818 /nfs/dbraw/zinc/63/68/18/819636818.db2.gz LLKLZHOKXWXFAT-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(COc2ccccc2)cc1 ZINC001236908585 819636823 /nfs/dbraw/zinc/63/68/23/819636823.db2.gz LLKLZHOKXWXFAT-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155570 819682670 /nfs/dbraw/zinc/68/26/70/819682670.db2.gz SJPGFUYJKUJLCW-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155570 819682674 /nfs/dbraw/zinc/68/26/74/819682674.db2.gz SJPGFUYJKUJLCW-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C[C@H]3C)cc2)o1 ZINC001237203662 819698341 /nfs/dbraw/zinc/69/83/41/819698341.db2.gz JUNIPPNOYKVHFZ-WBMJQRKESA-N 2 2 270.376 3.177 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)cc2)o1 ZINC001237203662 819698343 /nfs/dbraw/zinc/69/83/43/819698343.db2.gz JUNIPPNOYKVHFZ-WBMJQRKESA-N 2 2 270.376 3.177 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237417603 819748557 /nfs/dbraw/zinc/74/85/57/819748557.db2.gz UYKRHFOPQATAQU-WBVHZDCISA-N 2 2 292.854 3.476 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237417603 819748564 /nfs/dbraw/zinc/74/85/64/819748564.db2.gz UYKRHFOPQATAQU-WBVHZDCISA-N 2 2 292.854 3.476 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001237460033 819756328 /nfs/dbraw/zinc/75/63/28/819756328.db2.gz FVCUKQUMOZRRGB-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001237460033 819756334 /nfs/dbraw/zinc/75/63/34/819756334.db2.gz FVCUKQUMOZRRGB-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001237460033 819756340 /nfs/dbraw/zinc/75/63/40/819756340.db2.gz FVCUKQUMOZRRGB-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001237460033 819756346 /nfs/dbraw/zinc/75/63/46/819756346.db2.gz FVCUKQUMOZRRGB-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c12 ZINC001237636824 819794964 /nfs/dbraw/zinc/79/49/64/819794964.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c12 ZINC001237636824 819794965 /nfs/dbraw/zinc/79/49/65/819794965.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c12 ZINC001237636824 819794970 /nfs/dbraw/zinc/79/49/70/819794970.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c12 ZINC001237636824 819794974 /nfs/dbraw/zinc/79/49/74/819794974.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 2 2 295.430 3.069 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC001237740906 819830133 /nfs/dbraw/zinc/83/01/33/819830133.db2.gz ZGECCOYBZRBGAJ-QGZVFWFLSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC001237740906 819830136 /nfs/dbraw/zinc/83/01/36/819830136.db2.gz ZGECCOYBZRBGAJ-QGZVFWFLSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC001237740906 819830142 /nfs/dbraw/zinc/83/01/42/819830142.db2.gz ZGECCOYBZRBGAJ-QGZVFWFLSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC001237740906 819830150 /nfs/dbraw/zinc/83/01/50/819830150.db2.gz ZGECCOYBZRBGAJ-QGZVFWFLSA-N 2 2 292.854 3.430 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001237971225 819900820 /nfs/dbraw/zinc/90/08/20/819900820.db2.gz BUJLLCLIMAHNHR-HNNXBMFYSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001237971225 819900826 /nfs/dbraw/zinc/90/08/26/819900826.db2.gz BUJLLCLIMAHNHR-HNNXBMFYSA-N 2 2 288.416 3.413 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCSc2ccccc2C1 ZINC001238110592 819936119 /nfs/dbraw/zinc/93/61/19/819936119.db2.gz OWKKJRJHGOTTIM-UHFFFAOYSA-N 2 2 295.411 3.442 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCSc2ccccc2C1 ZINC001238110592 819936123 /nfs/dbraw/zinc/93/61/23/819936123.db2.gz OWKKJRJHGOTTIM-UHFFFAOYSA-N 2 2 295.411 3.442 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001238116199 819938822 /nfs/dbraw/zinc/93/88/22/819938822.db2.gz PTSBKRKTMNTEOV-SFHVURJKSA-N 2 2 299.418 3.115 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(Cl)cn1 ZINC001238431591 819995292 /nfs/dbraw/zinc/99/52/92/819995292.db2.gz YPKWVEDKYZTXRR-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(Cl)cn1 ZINC001238431591 819995298 /nfs/dbraw/zinc/99/52/98/819995298.db2.gz YPKWVEDKYZTXRR-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cnc1C1CC1 ZINC001238622327 820065309 /nfs/dbraw/zinc/06/53/09/820065309.db2.gz DLRWGDYDJOXJGI-UHFFFAOYSA-N 2 2 296.418 3.301 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(F)c2)C1 ZINC001239536348 820390111 /nfs/dbraw/zinc/39/01/11/820390111.db2.gz MQPLUFUTKKMOSZ-MRXNPFEDSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(F)c2)C1 ZINC001239536348 820390121 /nfs/dbraw/zinc/39/01/21/820390121.db2.gz MQPLUFUTKKMOSZ-MRXNPFEDSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4[nH]ccc4c3)c2)C1 ZINC001239696513 820528888 /nfs/dbraw/zinc/52/88/88/820528888.db2.gz SDRGVAGYBGKOOL-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4[nH]ccc4c3)c2)C1 ZINC001239696513 820528896 /nfs/dbraw/zinc/52/88/96/820528896.db2.gz SDRGVAGYBGKOOL-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP COc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1 ZINC001239826425 820642265 /nfs/dbraw/zinc/64/22/65/820642265.db2.gz SQNDLPIJCIRNBF-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1 ZINC001239827350 820643992 /nfs/dbraw/zinc/64/39/92/820643992.db2.gz MGOZBBLOIZTOKF-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1 ZINC001239827350 820643995 /nfs/dbraw/zinc/64/39/95/820643995.db2.gz MGOZBBLOIZTOKF-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COCc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239954063 820735522 /nfs/dbraw/zinc/73/55/22/820735522.db2.gz OPTDYUZPCZNTIP-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239954063 820735528 /nfs/dbraw/zinc/73/55/28/820735528.db2.gz OPTDYUZPCZNTIP-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP c1cn2ccc(-c3cccc(C4CC[NH2+]CC4)c3)cc2[nH+]1 ZINC001240510193 821105400 /nfs/dbraw/zinc/10/54/00/821105400.db2.gz FFOQDOKHSDTKDP-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP [NH3+]Cc1ccc(-c2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001241912637 822212719 /nfs/dbraw/zinc/21/27/19/822212719.db2.gz IGXVJNIYVYTNFL-UHFFFAOYSA-N 2 2 267.376 3.198 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001241993802 822261459 /nfs/dbraw/zinc/26/14/59/822261459.db2.gz DBTQOOKQWRYROW-INIZCTEOSA-N 2 2 252.361 3.442 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccs1 ZINC000399019622 926754350 /nfs/dbraw/zinc/75/43/50/926754350.db2.gz DPUGDHFNQPRIFW-AVGNSLFASA-N 2 2 252.427 3.319 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001474000184 937835092 /nfs/dbraw/zinc/83/50/92/937835092.db2.gz VNQBJJWLHOYJAX-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001461100454 937563974 /nfs/dbraw/zinc/56/39/74/937563974.db2.gz IWDBTMUOJROMQD-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001461100454 937563975 /nfs/dbraw/zinc/56/39/75/937563975.db2.gz IWDBTMUOJROMQD-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001461260300 937573119 /nfs/dbraw/zinc/57/31/19/937573119.db2.gz REDRIEDKXQQQDQ-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001461260300 937573121 /nfs/dbraw/zinc/57/31/21/937573121.db2.gz REDRIEDKXQQQDQ-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001231083595 932674420 /nfs/dbraw/zinc/67/44/20/932674420.db2.gz LKMKUGARFBEECK-MIFYACCESA-N 2 2 283.375 3.081 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001231083595 932674423 /nfs/dbraw/zinc/67/44/23/932674423.db2.gz LKMKUGARFBEECK-MIFYACCESA-N 2 2 283.375 3.081 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC001462224147 937626174 /nfs/dbraw/zinc/62/61/74/937626174.db2.gz RALIUWXHRJWLJR-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC001462224147 937626175 /nfs/dbraw/zinc/62/61/75/937626175.db2.gz RALIUWXHRJWLJR-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001306923967 932764257 /nfs/dbraw/zinc/76/42/57/932764257.db2.gz JAXVYKJDUSXEFN-OAHLLOKOSA-N 2 2 290.455 3.441 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001462431555 937640837 /nfs/dbraw/zinc/64/08/37/937640837.db2.gz VEIHGTIBEWZCPZ-HNNXBMFYSA-N 2 2 290.451 3.306 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001462431555 937640838 /nfs/dbraw/zinc/64/08/38/937640838.db2.gz VEIHGTIBEWZCPZ-HNNXBMFYSA-N 2 2 290.451 3.306 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC001308016098 933034172 /nfs/dbraw/zinc/03/41/72/933034172.db2.gz LCVUWYURZYOHEA-UHFFFAOYSA-N 2 2 281.403 3.147 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC001308016098 933034176 /nfs/dbraw/zinc/03/41/76/933034176.db2.gz LCVUWYURZYOHEA-UHFFFAOYSA-N 2 2 281.403 3.147 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C[C@@H]1OC ZINC001462642321 937655894 /nfs/dbraw/zinc/65/58/94/937655894.db2.gz FFHOYQPOEITSIS-XHSDSOJGSA-N 2 2 284.488 3.146 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671043 937658307 /nfs/dbraw/zinc/65/83/07/937658307.db2.gz SQDSNLFKJLGUEO-QLFBSQMISA-N 2 2 275.440 3.474 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671043 937658309 /nfs/dbraw/zinc/65/83/09/937658309.db2.gz SQDSNLFKJLGUEO-QLFBSQMISA-N 2 2 275.440 3.474 20 0 CGADLP CS[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001308385862 933105145 /nfs/dbraw/zinc/10/51/45/933105145.db2.gz TVMZZLGTXSAALZ-CABCVRRESA-N 2 2 284.513 3.372 20 0 CGADLP CS[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001308385862 933105148 /nfs/dbraw/zinc/10/51/48/933105148.db2.gz TVMZZLGTXSAALZ-CABCVRRESA-N 2 2 284.513 3.372 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001308741013 933168304 /nfs/dbraw/zinc/16/83/04/933168304.db2.gz FSMAZSXEPPAWTO-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC001308741013 933168307 /nfs/dbraw/zinc/16/83/07/933168307.db2.gz FSMAZSXEPPAWTO-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CCC2 ZINC001308866532 933192998 /nfs/dbraw/zinc/19/29/98/933192998.db2.gz UTOPZWDWNADTAC-JKSUJKDBSA-N 2 2 264.457 3.419 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001308968958 933215712 /nfs/dbraw/zinc/21/57/12/933215712.db2.gz KZBUBQNCRQTIRB-UHFFFAOYSA-N 2 2 280.431 3.408 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001308968958 933215718 /nfs/dbraw/zinc/21/57/18/933215718.db2.gz KZBUBQNCRQTIRB-UHFFFAOYSA-N 2 2 280.431 3.408 20 0 CGADLP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]c2ccccc12 ZINC001320737672 934094786 /nfs/dbraw/zinc/09/47/86/934094786.db2.gz YJCXTXBIKOJNEX-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]c2ccccc12 ZINC001320737672 934094796 /nfs/dbraw/zinc/09/47/96/934094796.db2.gz YJCXTXBIKOJNEX-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001321046341 934142951 /nfs/dbraw/zinc/14/29/51/934142951.db2.gz IELMUUHCARSQMH-MAUKXSAKSA-N 2 2 295.430 3.362 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001321046341 934142953 /nfs/dbraw/zinc/14/29/53/934142953.db2.gz IELMUUHCARSQMH-MAUKXSAKSA-N 2 2 295.430 3.362 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC001323703517 934419886 /nfs/dbraw/zinc/41/98/86/934419886.db2.gz NIBAFZZMDJDRCQ-UONOGXRCSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC001323703517 934419889 /nfs/dbraw/zinc/41/98/89/934419889.db2.gz NIBAFZZMDJDRCQ-UONOGXRCSA-N 2 2 293.480 3.217 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C/C=C/Cl)[nH+]1 ZINC001324297888 934482102 /nfs/dbraw/zinc/48/21/02/934482102.db2.gz LNAGRAKIMTVFCD-FLUIGGAXSA-N 2 2 265.788 3.019 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C/C=C/Cl)[nH+]1 ZINC001324297888 934482106 /nfs/dbraw/zinc/48/21/06/934482106.db2.gz LNAGRAKIMTVFCD-FLUIGGAXSA-N 2 2 265.788 3.019 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001325269658 934900326 /nfs/dbraw/zinc/90/03/26/934900326.db2.gz ZHICQHCIKIZKPH-NSHDSACASA-N 2 2 293.411 3.037 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccccc1Br ZINC001326035506 934946023 /nfs/dbraw/zinc/94/60/23/934946023.db2.gz KCSOZJVZBMJEDM-WDEREUQCSA-N 2 2 285.229 3.098 20 0 CGADLP CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713158 937818792 /nfs/dbraw/zinc/81/87/92/937818792.db2.gz RXEPOQGJNBCKCN-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713158 937818794 /nfs/dbraw/zinc/81/87/94/937818794.db2.gz RXEPOQGJNBCKCN-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327883945 935094401 /nfs/dbraw/zinc/09/44/01/935094401.db2.gz OHBZHVFLOTZELC-KBPBESRZSA-N 2 2 299.409 3.356 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327883945 935094405 /nfs/dbraw/zinc/09/44/05/935094405.db2.gz OHBZHVFLOTZELC-KBPBESRZSA-N 2 2 299.409 3.356 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001336735744 936212451 /nfs/dbraw/zinc/21/24/51/936212451.db2.gz OJACTQRYEUNINR-IUODEOHRSA-N 2 2 278.440 3.458 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001336735744 936212455 /nfs/dbraw/zinc/21/24/55/936212455.db2.gz OJACTQRYEUNINR-IUODEOHRSA-N 2 2 278.440 3.458 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724809 937819593 /nfs/dbraw/zinc/81/95/93/937819593.db2.gz GXGMGTRTGUIGQD-JLZZUVOBSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724809 937819595 /nfs/dbraw/zinc/81/95/95/937819595.db2.gz GXGMGTRTGUIGQD-JLZZUVOBSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724809 937819597 /nfs/dbraw/zinc/81/95/97/937819597.db2.gz GXGMGTRTGUIGQD-JLZZUVOBSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724809 937819599 /nfs/dbraw/zinc/81/95/99/937819599.db2.gz GXGMGTRTGUIGQD-JLZZUVOBSA-N 2 2 290.838 3.353 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001474000184 937835090 /nfs/dbraw/zinc/83/50/90/937835090.db2.gz VNQBJJWLHOYJAX-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001474035235 937837088 /nfs/dbraw/zinc/83/70/88/937837088.db2.gz RCRNLNVESOLKHR-UHFFFAOYSA-N 2 2 299.418 3.461 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001474220976 937844758 /nfs/dbraw/zinc/84/47/58/937844758.db2.gz WEGJFYWNOFMVIS-SJLPKXTDSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001474220976 937844760 /nfs/dbraw/zinc/84/47/60/937844760.db2.gz WEGJFYWNOFMVIS-SJLPKXTDSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC001549037174 938154670 /nfs/dbraw/zinc/15/46/70/938154670.db2.gz POJIUYKXXFZAAT-JKSUJKDBSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)s1 ZINC001549037174 938154671 /nfs/dbraw/zinc/15/46/71/938154671.db2.gz POJIUYKXXFZAAT-JKSUJKDBSA-N 2 2 290.407 3.122 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117140 938155381 /nfs/dbraw/zinc/15/53/81/938155381.db2.gz QIBXQNPQUDBIFN-IIYDPXPESA-N 2 2 291.439 3.094 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117140 938155382 /nfs/dbraw/zinc/15/53/82/938155382.db2.gz QIBXQNPQUDBIFN-IIYDPXPESA-N 2 2 291.439 3.094 20 0 CGADLP CC(C)c1cc(NC23CC(C[NH3+])(C2)C3)nc(C(C)C)[nH+]1 ZINC001549915416 938161148 /nfs/dbraw/zinc/16/11/48/938161148.db2.gz GNAFPKFNYQNNID-UHFFFAOYSA-N 2 2 274.412 3.017 20 0 CGADLP CC(C)C1(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)CC1 ZINC001550058169 938162464 /nfs/dbraw/zinc/16/24/64/938162464.db2.gz HUQMXRNWWYFVRU-AWEZNQCLSA-N 2 2 261.413 3.036 20 0 CGADLP CC(C)C1(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)CC1 ZINC001550058169 938162465 /nfs/dbraw/zinc/16/24/65/938162465.db2.gz HUQMXRNWWYFVRU-AWEZNQCLSA-N 2 2 261.413 3.036 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccsc1 ZINC001551377367 938180341 /nfs/dbraw/zinc/18/03/41/938180341.db2.gz HMJLYIKFNUEBIA-VQISRLSMSA-N 2 2 258.390 3.023 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001551403694 938181917 /nfs/dbraw/zinc/18/19/17/938181917.db2.gz UXCCIGYSEHTCBQ-WZGPROSRSA-N 2 2 278.399 3.004 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CC[NH2+]C23CCCC3)o1 ZINC001553026376 938195986 /nfs/dbraw/zinc/19/59/86/938195986.db2.gz LWTPESPDMQGCSU-MRXNPFEDSA-N 2 2 270.376 3.197 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001560428153 938258121 /nfs/dbraw/zinc/25/81/21/938258121.db2.gz DLZLZUUFXMGFJS-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccccc1F)[NH+]1CCCCC1 ZINC001560436527 938258232 /nfs/dbraw/zinc/25/82/32/938258232.db2.gz INEJGHITTCGZTF-CQSZACIVSA-N 2 2 264.388 3.180 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC001560487159 938260455 /nfs/dbraw/zinc/26/04/55/938260455.db2.gz ALRDZGPMHZDDGD-GFCCVEGCSA-N 2 2 284.831 3.026 20 0 CGADLP CCCC[C@H](CC)CCC[N@H+](C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC001577388256 960476663 /nfs/dbraw/zinc/47/66/63/960476663.db2.gz MPNGKSQSQJFKOS-GVDBMIGSSA-N 2 2 284.488 3.028 20 0 CGADLP CCCC[C@H](CC)CCC[N@@H+](C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC001577388256 960476674 /nfs/dbraw/zinc/47/66/74/960476674.db2.gz MPNGKSQSQJFKOS-GVDBMIGSSA-N 2 2 284.488 3.028 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CCCC1 ZINC001580228916 960487406 /nfs/dbraw/zinc/48/74/06/960487406.db2.gz GOUAFPKTZMZYQO-NSHDSACASA-N 2 2 292.370 3.374 20 0 CGADLP CC(C)(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC001575115262 962346862 /nfs/dbraw/zinc/34/68/62/962346862.db2.gz DCBUXDURQULLGY-HUUCEWRRSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)(C)c1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC001575277455 962354382 /nfs/dbraw/zinc/35/43/82/962354382.db2.gz RUXHDNRXBUOMFE-OAHLLOKOSA-N 2 2 260.425 3.214 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C[NH2+]1 ZINC001576671000 962483379 /nfs/dbraw/zinc/48/33/79/962483379.db2.gz NQFZFWIXNZTKII-OLZOCXBDSA-N 2 2 294.389 3.117 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[NH2+]1 ZINC001576670367 962484629 /nfs/dbraw/zinc/48/46/29/962484629.db2.gz HDDDNUMVSZCNDH-FBKDDSFISA-N 2 2 282.790 3.065 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC ZINC001577396820 962534993 /nfs/dbraw/zinc/53/49/93/962534993.db2.gz FZLRVCYCRWABIX-AWEZNQCLSA-N 2 2 284.831 3.346 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCC12CC2 ZINC001578275141 962588195 /nfs/dbraw/zinc/58/81/95/962588195.db2.gz AUIFFECGJXKGDF-HZPDHXFCSA-N 2 2 258.409 3.171 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC001578912392 962606093 /nfs/dbraw/zinc/60/60/93/962606093.db2.gz FNMPXYBBSQGEFV-NOXHYTERSA-N 2 2 296.842 3.004 20 0 CGADLP COCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000337401098 214056660 /nfs/dbraw/zinc/05/66/60/214056660.db2.gz PPPQPXAYGUUSPB-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc(Cl)c1 ZINC000621259727 349483401 /nfs/dbraw/zinc/48/34/01/349483401.db2.gz FDZQWJJEUYMHPY-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc(Cl)c1 ZINC000621259727 349483403 /nfs/dbraw/zinc/48/34/03/349483403.db2.gz FDZQWJJEUYMHPY-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cncc(Cl)c1 ZINC000621259727 349483407 /nfs/dbraw/zinc/48/34/07/349483407.db2.gz FDZQWJJEUYMHPY-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cncc(Cl)c1 ZINC000621259727 349483409 /nfs/dbraw/zinc/48/34/09/349483409.db2.gz FDZQWJJEUYMHPY-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000621355849 349506072 /nfs/dbraw/zinc/50/60/72/349506072.db2.gz ZGWRCIGJMOVROM-LLVKDONJSA-N 2 2 275.421 3.071 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000621355849 349506077 /nfs/dbraw/zinc/50/60/77/349506077.db2.gz ZGWRCIGJMOVROM-LLVKDONJSA-N 2 2 275.421 3.071 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000621345154 349503050 /nfs/dbraw/zinc/50/30/50/349503050.db2.gz DVPNCLDYDAOBFL-LBPRGKRZSA-N 2 2 275.421 3.002 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338686030 214720588 /nfs/dbraw/zinc/72/05/88/214720588.db2.gz BPOMIDSGRYYFBT-DJIMGWMZSA-N 2 2 260.425 3.110 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000621377270 349512143 /nfs/dbraw/zinc/51/21/43/349512143.db2.gz UJNWDDQJHIVALS-SNVBAGLBSA-N 2 2 283.347 3.069 20 0 CGADLP CC1CC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000621384598 349515353 /nfs/dbraw/zinc/51/53/53/349515353.db2.gz MCQINGRBEXIOKC-UHFFFAOYSA-N 2 2 278.362 3.039 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)oc1C ZINC000337485661 214113800 /nfs/dbraw/zinc/11/38/00/214113800.db2.gz SHJLIBPFCYGZAZ-LSDHHAIUSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)oc1C ZINC000337485661 214113803 /nfs/dbraw/zinc/11/38/03/214113803.db2.gz SHJLIBPFCYGZAZ-LSDHHAIUSA-N 2 2 294.439 3.048 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000337510124 214129731 /nfs/dbraw/zinc/12/97/31/214129731.db2.gz IIUFBXMIHFXFHP-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401705 349520486 /nfs/dbraw/zinc/52/04/86/349520486.db2.gz HOQNIPCGVUBECS-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401705 349520488 /nfs/dbraw/zinc/52/04/88/349520488.db2.gz HOQNIPCGVUBECS-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000096094177 185096352 /nfs/dbraw/zinc/09/63/52/185096352.db2.gz OIZYCQMYLGUJBV-ROUUACIJSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3ccc(C)cc32)n1C ZINC000514798265 282156760 /nfs/dbraw/zinc/15/67/60/282156760.db2.gz IGHYVIRMXJIGEW-KRWDZBQOSA-N 2 2 269.392 3.204 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337989829 214347016 /nfs/dbraw/zinc/34/70/16/214347016.db2.gz QYXWCTDWGSCJJY-OAGGEKHMSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337989829 214347017 /nfs/dbraw/zinc/34/70/17/214347017.db2.gz QYXWCTDWGSCJJY-OAGGEKHMSA-N 2 2 270.436 3.369 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337995579 214350693 /nfs/dbraw/zinc/35/06/93/214350693.db2.gz NPPCPQHIDLMMDN-HOTGVXAUSA-N 2 2 273.424 3.442 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000337997163 214352137 /nfs/dbraw/zinc/35/21/37/214352137.db2.gz NLMPEPDSUUZIFU-OTWHNJEPSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000337997163 214352139 /nfs/dbraw/zinc/35/21/39/214352139.db2.gz NLMPEPDSUUZIFU-OTWHNJEPSA-N 2 2 284.447 3.429 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000337998161 214353511 /nfs/dbraw/zinc/35/35/11/214353511.db2.gz MNWARCZZHNFDFV-ROUUACIJSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000337998161 214353513 /nfs/dbraw/zinc/35/35/13/214353513.db2.gz MNWARCZZHNFDFV-ROUUACIJSA-N 2 2 272.436 3.287 20 0 CGADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437080251 529420983 /nfs/dbraw/zinc/42/09/83/529420983.db2.gz YZYVNTUIMQYAKH-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110112071 282181559 /nfs/dbraw/zinc/18/15/59/282181559.db2.gz XALIRKGRWJGTCT-HNNXBMFYSA-N 2 2 282.391 3.069 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083565 346899738 /nfs/dbraw/zinc/89/97/38/346899738.db2.gz XWBKFDOBUKRMFW-IXDOHACOSA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083565 346899748 /nfs/dbraw/zinc/89/97/48/346899748.db2.gz XWBKFDOBUKRMFW-IXDOHACOSA-N 2 2 291.439 3.115 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515125 529552888 /nfs/dbraw/zinc/55/28/88/529552888.db2.gz OWJABGPTQNTQDZ-ZIAGYGMSSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@@H](F)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515125 529552890 /nfs/dbraw/zinc/55/28/90/529552890.db2.gz OWJABGPTQNTQDZ-ZIAGYGMSSA-N 2 2 279.403 3.065 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365630436 529577039 /nfs/dbraw/zinc/57/70/39/529577039.db2.gz OHTZCSVWIYCMAX-SFHVURJKSA-N 2 2 297.446 3.405 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365630436 529577045 /nfs/dbraw/zinc/57/70/45/529577045.db2.gz OHTZCSVWIYCMAX-SFHVURJKSA-N 2 2 297.446 3.405 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC1(F)F ZINC000623015272 349751902 /nfs/dbraw/zinc/75/19/02/349751902.db2.gz TWCUEVGBXLPLCG-PAPYEOQZSA-N 2 2 282.378 3.311 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000423224673 529603314 /nfs/dbraw/zinc/60/33/14/529603314.db2.gz JVCVPEABYOHFGF-LBPRGKRZSA-N 2 2 261.196 3.254 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000414079931 529632274 /nfs/dbraw/zinc/63/22/74/529632274.db2.gz TZZKROHZURARPY-BPUTZDHNSA-N 2 2 269.392 3.397 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 ZINC000423497873 529617079 /nfs/dbraw/zinc/61/70/79/529617079.db2.gz HNMJZNPXYMZKQX-CXAGYDPISA-N 2 2 272.392 3.063 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)C1CCCC1 ZINC000423494528 529617201 /nfs/dbraw/zinc/61/72/01/529617201.db2.gz ASIQCLIPJGFNSQ-SUMWQHHRSA-N 2 2 260.425 3.417 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@@H]1C ZINC000414114826 529658490 /nfs/dbraw/zinc/65/84/90/529658490.db2.gz MEFGZROCGHICIK-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@@H]1C ZINC000414114826 529658491 /nfs/dbraw/zinc/65/84/91/529658491.db2.gz MEFGZROCGHICIK-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000427893980 529662169 /nfs/dbraw/zinc/66/21/69/529662169.db2.gz PXGAHXNWMJETEU-DOMZBBRYSA-N 2 2 291.345 3.217 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1F ZINC000423262414 529668781 /nfs/dbraw/zinc/66/87/81/529668781.db2.gz MKVSKXJNIBHDQH-WFASDCNBSA-N 2 2 252.377 3.240 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423374473 529673346 /nfs/dbraw/zinc/67/33/46/529673346.db2.gz WWLOKOUIFSQSRZ-UGFHNGPFSA-N 2 2 298.377 3.327 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccs2)cn1 ZINC000126338017 187233640 /nfs/dbraw/zinc/23/36/40/187233640.db2.gz ULSOSOREEJTLIC-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623414477 349802551 /nfs/dbraw/zinc/80/25/51/349802551.db2.gz FNSRVYTYJNZGNF-NWDGAFQWSA-N 2 2 281.469 3.229 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623414477 349802554 /nfs/dbraw/zinc/80/25/54/349802554.db2.gz FNSRVYTYJNZGNF-NWDGAFQWSA-N 2 2 281.469 3.229 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426577 349805809 /nfs/dbraw/zinc/80/58/09/349805809.db2.gz RHKFREACPRELFT-VXGBXAGGSA-N 2 2 267.442 3.057 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426577 349805816 /nfs/dbraw/zinc/80/58/16/349805816.db2.gz RHKFREACPRELFT-VXGBXAGGSA-N 2 2 267.442 3.057 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000359636680 529721308 /nfs/dbraw/zinc/72/13/08/529721308.db2.gz HKHHJJBVAWBYGF-ZDUSSCGKSA-N 2 2 252.402 3.223 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000359636680 529721309 /nfs/dbraw/zinc/72/13/09/529721309.db2.gz HKHHJJBVAWBYGF-ZDUSSCGKSA-N 2 2 252.402 3.223 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000351299744 219088887 /nfs/dbraw/zinc/08/88/87/219088887.db2.gz CXUAPQHEKZWEEV-UHFFFAOYSA-N 2 2 275.223 3.377 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000351299744 219088889 /nfs/dbraw/zinc/08/88/89/219088889.db2.gz CXUAPQHEKZWEEV-UHFFFAOYSA-N 2 2 275.223 3.377 20 0 CGADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000295007606 199297263 /nfs/dbraw/zinc/29/72/63/199297263.db2.gz ZEKWDRDRKXHRNQ-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000295007606 199297264 /nfs/dbraw/zinc/29/72/64/199297264.db2.gz ZEKWDRDRKXHRNQ-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1F ZINC000295007606 199297265 /nfs/dbraw/zinc/29/72/65/199297265.db2.gz ZEKWDRDRKXHRNQ-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1F ZINC000295007606 199297266 /nfs/dbraw/zinc/29/72/66/199297266.db2.gz ZEKWDRDRKXHRNQ-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000126842485 187266153 /nfs/dbraw/zinc/26/61/53/187266153.db2.gz IBSKINNHSNRQRD-OAHLLOKOSA-N 2 2 287.407 3.096 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126857205 187266575 /nfs/dbraw/zinc/26/65/75/187266575.db2.gz WKSWRKUEAJPCDG-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126857205 187266577 /nfs/dbraw/zinc/26/65/77/187266577.db2.gz WKSWRKUEAJPCDG-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536506 529802528 /nfs/dbraw/zinc/80/25/28/529802528.db2.gz RSQFAVXZJWETKF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536506 529802529 /nfs/dbraw/zinc/80/25/29/529802529.db2.gz RSQFAVXZJWETKF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536506 529802530 /nfs/dbraw/zinc/80/25/30/529802530.db2.gz RSQFAVXZJWETKF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536506 529802532 /nfs/dbraw/zinc/80/25/32/529802532.db2.gz RSQFAVXZJWETKF-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000623656360 349858566 /nfs/dbraw/zinc/85/85/66/349858566.db2.gz SMWAZFGWUHVXHL-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000623656360 349858568 /nfs/dbraw/zinc/85/85/68/349858568.db2.gz SMWAZFGWUHVXHL-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128135521 187353453 /nfs/dbraw/zinc/35/34/53/187353453.db2.gz JZGQFAGVEMILPC-ZDUSSCGKSA-N 2 2 276.399 3.351 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000623852837 349896582 /nfs/dbraw/zinc/89/65/82/349896582.db2.gz CGVVXCVAABXBTO-KBPBESRZSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000623852837 349896584 /nfs/dbraw/zinc/89/65/84/349896584.db2.gz CGVVXCVAABXBTO-KBPBESRZSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1[nH+]c2ccccn2c1CNc1[nH+]ccn1CC(C)C ZINC000351566668 219129180 /nfs/dbraw/zinc/12/91/80/219129180.db2.gz HYJMDTOIIGTQCZ-UHFFFAOYSA-N 2 2 283.379 3.107 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623891590 349907512 /nfs/dbraw/zinc/90/75/12/349907512.db2.gz PUZPAUIPWJPENS-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623891590 349907514 /nfs/dbraw/zinc/90/75/14/349907514.db2.gz PUZPAUIPWJPENS-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000351593388 219138615 /nfs/dbraw/zinc/13/86/15/219138615.db2.gz NIAHBYDSJDEDIU-CQSZACIVSA-N 2 2 257.381 3.489 20 0 CGADLP CCC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000351593388 219138611 /nfs/dbraw/zinc/13/86/11/219138611.db2.gz NIAHBYDSJDEDIU-CQSZACIVSA-N 2 2 257.381 3.489 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423227254 529978832 /nfs/dbraw/zinc/97/88/32/529978832.db2.gz VBKMNIUMTSVGHC-OAHLLOKOSA-N 2 2 284.403 3.136 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000423223215 529978848 /nfs/dbraw/zinc/97/88/48/529978848.db2.gz FLEGFJKQSXRWPZ-HNNXBMFYSA-N 2 2 274.433 3.149 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000351606020 219143510 /nfs/dbraw/zinc/14/35/10/219143510.db2.gz ANPFRHAJYMDXKX-ROUUACIJSA-N 2 2 270.420 3.138 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000351606020 219143513 /nfs/dbraw/zinc/14/35/13/219143513.db2.gz ANPFRHAJYMDXKX-ROUUACIJSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000044353241 345009454 /nfs/dbraw/zinc/00/94/54/345009454.db2.gz GNFNGBCVPFLZNG-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353180 345009500 /nfs/dbraw/zinc/00/95/00/345009500.db2.gz UWTRFOOFZSQHSA-UHFFFAOYSA-N 2 2 297.324 3.472 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000044535245 345013332 /nfs/dbraw/zinc/01/33/32/345013332.db2.gz CAXUKSUETXAKOX-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000044535245 345013334 /nfs/dbraw/zinc/01/33/34/345013334.db2.gz CAXUKSUETXAKOX-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051951901 345094127 /nfs/dbraw/zinc/09/41/27/345094127.db2.gz QFFFQMYWPUPJJC-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP c1ccc(SCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063190494 345244072 /nfs/dbraw/zinc/24/40/72/345244072.db2.gz QWLBVIKFKJYXDJ-DLBZAZTESA-N 2 2 290.476 3.385 20 0 CGADLP c1ccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063190494 345244073 /nfs/dbraw/zinc/24/40/73/345244073.db2.gz QWLBVIKFKJYXDJ-DLBZAZTESA-N 2 2 290.476 3.385 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC1CC[NH+](C)CC1 ZINC000074389165 345468057 /nfs/dbraw/zinc/46/80/57/345468057.db2.gz BNWKQMRDZIVLAJ-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000135138651 232200010 /nfs/dbraw/zinc/20/00/10/232200010.db2.gz GHSYHBZGDBRLFI-UHFFFAOYSA-N 2 2 264.413 3.332 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000135138651 232200012 /nfs/dbraw/zinc/20/00/12/232200012.db2.gz GHSYHBZGDBRLFI-UHFFFAOYSA-N 2 2 264.413 3.332 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000623975480 349933285 /nfs/dbraw/zinc/93/32/85/349933285.db2.gz GPKFDHBEFWGSHV-HSBZDZAISA-N 2 2 279.453 3.119 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(F)(F)F)C2)CC1 ZINC000077655340 345581385 /nfs/dbraw/zinc/58/13/85/345581385.db2.gz NOWIWUFMLYXLMV-AWEZNQCLSA-N 2 2 292.389 3.383 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC000077655340 345581387 /nfs/dbraw/zinc/58/13/87/345581387.db2.gz NOWIWUFMLYXLMV-AWEZNQCLSA-N 2 2 292.389 3.383 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000157194661 232231586 /nfs/dbraw/zinc/23/15/86/232231586.db2.gz TWCNZILOUBQVER-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000084656391 345738475 /nfs/dbraw/zinc/73/84/75/345738475.db2.gz UYFZYVDMJLJWRJ-KBPBESRZSA-N 2 2 284.407 3.182 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000090847108 345796320 /nfs/dbraw/zinc/79/63/20/345796320.db2.gz RWHJTHAVMWNBGU-CQSZACIVSA-N 2 2 298.386 3.055 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000093753047 345887371 /nfs/dbraw/zinc/88/73/71/345887371.db2.gz WUGVYBFJTGKIEB-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000093753047 345887375 /nfs/dbraw/zinc/88/73/75/345887375.db2.gz WUGVYBFJTGKIEB-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093753047 345887380 /nfs/dbraw/zinc/88/73/80/345887380.db2.gz WUGVYBFJTGKIEB-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093753047 345887385 /nfs/dbraw/zinc/88/73/85/345887385.db2.gz WUGVYBFJTGKIEB-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000173352096 232281666 /nfs/dbraw/zinc/28/16/66/232281666.db2.gz DQSRRKCDMSFVSR-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000173352096 232281668 /nfs/dbraw/zinc/28/16/68/232281668.db2.gz DQSRRKCDMSFVSR-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345389793 346507955 /nfs/dbraw/zinc/50/79/55/346507955.db2.gz NEWCLZHAGBMONI-BBRMVZONSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345389793 346507957 /nfs/dbraw/zinc/50/79/57/346507957.db2.gz NEWCLZHAGBMONI-BBRMVZONSA-N 2 2 264.388 3.003 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000624100992 349970670 /nfs/dbraw/zinc/97/06/70/349970670.db2.gz CRIQSVMZJGGJJR-ZACQAIPSSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000624100992 349970673 /nfs/dbraw/zinc/97/06/73/349970673.db2.gz CRIQSVMZJGGJJR-ZACQAIPSSA-N 2 2 276.399 3.146 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000320162977 346488948 /nfs/dbraw/zinc/48/89/48/346488948.db2.gz XLXMFLWOOSXFBF-ZDUSSCGKSA-N 2 2 297.402 3.140 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000320162977 346488950 /nfs/dbraw/zinc/48/89/50/346488950.db2.gz XLXMFLWOOSXFBF-ZDUSSCGKSA-N 2 2 297.402 3.140 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336103674 282528958 /nfs/dbraw/zinc/52/89/58/282528958.db2.gz SEWQWNGJELVZRG-JTQLQIEISA-N 2 2 296.201 3.295 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCCF ZINC000351835023 219220710 /nfs/dbraw/zinc/22/07/10/219220710.db2.gz VXWMMELOAMCLGA-QGZVFWFLSA-N 2 2 280.431 3.482 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCCF ZINC000351835023 219220711 /nfs/dbraw/zinc/22/07/11/219220711.db2.gz VXWMMELOAMCLGA-QGZVFWFLSA-N 2 2 280.431 3.482 20 0 CGADLP CSC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000602724945 348018187 /nfs/dbraw/zinc/01/81/87/348018187.db2.gz FZOMFBFVJLVOAA-UHFFFAOYSA-N 2 2 293.461 3.261 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)c[nH+]1 ZINC000605150764 348148687 /nfs/dbraw/zinc/14/86/87/348148687.db2.gz ZGQAYZRMJAZGFN-OAHLLOKOSA-N 2 2 287.432 3.312 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)c[nH+]1 ZINC000605150764 348148688 /nfs/dbraw/zinc/14/86/88/348148688.db2.gz ZGQAYZRMJAZGFN-OAHLLOKOSA-N 2 2 287.432 3.312 20 0 CGADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608069202 348282549 /nfs/dbraw/zinc/28/25/49/348282549.db2.gz YQTHSHNAZKVHBP-QGZVFWFLSA-N 2 2 295.386 3.395 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000608579623 348319215 /nfs/dbraw/zinc/31/92/15/348319215.db2.gz IEZLOKIRDCPIPK-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000608579623 348319219 /nfs/dbraw/zinc/31/92/19/348319219.db2.gz IEZLOKIRDCPIPK-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@@H+]1C ZINC000624344935 350030612 /nfs/dbraw/zinc/03/06/12/350030612.db2.gz URIADLZJOWMSMP-QWHCGFSZSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000624344935 350030616 /nfs/dbraw/zinc/03/06/16/350030616.db2.gz URIADLZJOWMSMP-QWHCGFSZSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000359632734 233349005 /nfs/dbraw/zinc/34/90/05/233349005.db2.gz BDKVMYRPDXBALY-NWDGAFQWSA-N 2 2 298.418 3.134 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000628209707 350440636 /nfs/dbraw/zinc/44/06/36/350440636.db2.gz PVFYMYKALVBRPF-UHFFFAOYSA-N 2 2 296.374 3.151 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC(F)(F)C1 ZINC000628211674 350442818 /nfs/dbraw/zinc/44/28/18/350442818.db2.gz WOHDNXFOEMENCE-LBPRGKRZSA-N 2 2 283.366 3.297 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000628277498 350474586 /nfs/dbraw/zinc/47/45/86/350474586.db2.gz VJTDSKADHFTELZ-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000628277498 350474588 /nfs/dbraw/zinc/47/45/88/350474588.db2.gz VJTDSKADHFTELZ-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC(F)(F)CC2)c[nH+]1 ZINC000628422085 350533257 /nfs/dbraw/zinc/53/32/57/350533257.db2.gz MBWCFAQMNJBKSP-UHFFFAOYSA-N 2 2 268.351 3.444 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC(F)(F)CC2)c[nH+]1 ZINC000628422085 350533260 /nfs/dbraw/zinc/53/32/60/350533260.db2.gz MBWCFAQMNJBKSP-UHFFFAOYSA-N 2 2 268.351 3.444 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CS1 ZINC000628453935 350541471 /nfs/dbraw/zinc/54/14/71/350541471.db2.gz ALNSGHSGOJGQLS-BPUTZDHNSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CS1 ZINC000628453935 350541473 /nfs/dbraw/zinc/54/14/73/350541473.db2.gz ALNSGHSGOJGQLS-BPUTZDHNSA-N 2 2 282.497 3.123 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(OC)cc1 ZINC000629526060 350702500 /nfs/dbraw/zinc/70/25/00/350702500.db2.gz JTLBXWIKQWDQJW-YESZJQIVSA-N 2 2 276.424 3.267 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000629527662 350703053 /nfs/dbraw/zinc/70/30/53/350703053.db2.gz BNVXRDVNDBAATR-USXIJHARSA-N 2 2 283.419 3.275 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)oc21 ZINC000629538510 350705524 /nfs/dbraw/zinc/70/55/24/350705524.db2.gz MNFOYMBFPWPVOV-DYEKYZERSA-N 2 2 288.391 3.233 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629537514 350705698 /nfs/dbraw/zinc/70/56/98/350705698.db2.gz JPKJHODACFHREB-GVXVVHGQSA-N 2 2 281.469 3.366 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccsc32)C[NH2+]1 ZINC000629536353 350706101 /nfs/dbraw/zinc/70/61/01/350706101.db2.gz FCRAYIWBDBWQTR-NMKXLXIOSA-N 2 2 264.438 3.417 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540228 350706735 /nfs/dbraw/zinc/70/67/35/350706735.db2.gz UXXLJPMCTUSVPX-MDZLAQPJSA-N 2 2 282.815 3.140 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000629538741 350706748 /nfs/dbraw/zinc/70/67/48/350706748.db2.gz KZQVXEQNTBKZDN-UHFFFAOYSA-N 2 2 287.451 3.095 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(Cl)cc32)C[NH2+]1 ZINC000629541017 350707296 /nfs/dbraw/zinc/70/72/96/350707296.db2.gz UOIOLRGYFWESID-KYOSRNDESA-N 2 2 294.826 3.284 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC)cc1 ZINC000629540966 350707635 /nfs/dbraw/zinc/70/76/35/350707635.db2.gz ZEOPHYKWGPXWME-KMFMINBZSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000629547881 350710463 /nfs/dbraw/zinc/71/04/63/350710463.db2.gz WCFYQCFUQFOZGN-DJIHRAIXSA-N 2 2 250.411 3.027 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000629546716 350710529 /nfs/dbraw/zinc/71/05/29/350710529.db2.gz XEXVEJKIAYLCHW-JCURWCKSSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000629555694 350712875 /nfs/dbraw/zinc/71/28/75/350712875.db2.gz BBUAYFPDHZKTOF-IUIKQTSFSA-N 2 2 278.827 3.448 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000629404878 350689355 /nfs/dbraw/zinc/68/93/55/350689355.db2.gz SFRVUJHEGKJRCY-DLBZAZTESA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)C[NH2+]1 ZINC000629411076 350690326 /nfs/dbraw/zinc/69/03/26/350690326.db2.gz HOCHWOKZDVCJCY-DGCLKSJQSA-N 2 2 279.453 3.031 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000629510140 350698622 /nfs/dbraw/zinc/69/86/22/350698622.db2.gz RHWFVPFTUYYONR-GUYCJALGSA-N 2 2 275.440 3.215 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000629510140 350698623 /nfs/dbraw/zinc/69/86/23/350698623.db2.gz RHWFVPFTUYYONR-GUYCJALGSA-N 2 2 275.440 3.215 20 0 CGADLP CNc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)c[nH+]1 ZINC000629701314 350744499 /nfs/dbraw/zinc/74/44/99/350744499.db2.gz AOPFGZZFSLOZNL-CQSZACIVSA-N 2 2 281.403 3.197 20 0 CGADLP CNc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)c[nH+]1 ZINC000629701314 350744502 /nfs/dbraw/zinc/74/45/02/350744502.db2.gz AOPFGZZFSLOZNL-CQSZACIVSA-N 2 2 281.403 3.197 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(C[NH+]3CCOCC3)cc2)n1C ZINC000630051573 350800848 /nfs/dbraw/zinc/80/08/48/350800848.db2.gz ACKGEJOYUZRLPQ-UHFFFAOYSA-N 2 2 299.418 3.043 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccn1 ZINC000631631502 351097040 /nfs/dbraw/zinc/09/70/40/351097040.db2.gz WWROGZDWQAHSSJ-DZGCQCFKSA-N 2 2 284.407 3.101 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccn1 ZINC000631631502 351097045 /nfs/dbraw/zinc/09/70/45/351097045.db2.gz WWROGZDWQAHSSJ-DZGCQCFKSA-N 2 2 284.407 3.101 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000631827839 351149023 /nfs/dbraw/zinc/14/90/23/351149023.db2.gz XUSYHEWRBXZXKD-MSOLQXFVSA-N 2 2 287.451 3.113 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)n1 ZINC000631827839 351149024 /nfs/dbraw/zinc/14/90/24/351149024.db2.gz XUSYHEWRBXZXKD-MSOLQXFVSA-N 2 2 287.451 3.113 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2c1 ZINC000631889408 351152624 /nfs/dbraw/zinc/15/26/24/351152624.db2.gz FRUVIBUJEWINMI-LPHOPBHVSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2c1 ZINC000631889408 351152628 /nfs/dbraw/zinc/15/26/28/351152628.db2.gz FRUVIBUJEWINMI-LPHOPBHVSA-N 2 2 295.430 3.117 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000631796618 351143675 /nfs/dbraw/zinc/14/36/75/351143675.db2.gz WOSBWKZRDMHRKW-INIZCTEOSA-N 2 2 282.378 3.299 20 0 CGADLP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)no1 ZINC000634957490 351609340 /nfs/dbraw/zinc/60/93/40/351609340.db2.gz OKNMPZQIFYPBHY-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CC(C)C2)n1-c1ccccc1 ZINC000122176217 187019003 /nfs/dbraw/zinc/01/90/03/187019003.db2.gz OFYUTNNSWLLOFL-UHFFFAOYSA-N 2 2 255.365 3.069 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000123549851 187098187 /nfs/dbraw/zinc/09/81/87/187098187.db2.gz VYJGZKULDUPPBI-GXTWGEPZSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000123549851 187098188 /nfs/dbraw/zinc/09/81/88/187098188.db2.gz VYJGZKULDUPPBI-GXTWGEPZSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123549851 187098189 /nfs/dbraw/zinc/09/81/89/187098189.db2.gz VYJGZKULDUPPBI-GXTWGEPZSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123549851 187098190 /nfs/dbraw/zinc/09/81/90/187098190.db2.gz VYJGZKULDUPPBI-GXTWGEPZSA-N 2 2 266.816 3.255 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000123633667 187101731 /nfs/dbraw/zinc/10/17/31/187101731.db2.gz HRMQTBANWBRBMW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000123633667 187101732 /nfs/dbraw/zinc/10/17/32/187101732.db2.gz HRMQTBANWBRBMW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065859 198150917 /nfs/dbraw/zinc/15/09/17/198150917.db2.gz DAFFZHSHKNCBSQ-MRXNPFEDSA-N 2 2 280.362 3.152 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065859 198150919 /nfs/dbraw/zinc/15/09/19/198150919.db2.gz DAFFZHSHKNCBSQ-MRXNPFEDSA-N 2 2 280.362 3.152 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065859 198150920 /nfs/dbraw/zinc/15/09/20/198150920.db2.gz DAFFZHSHKNCBSQ-MRXNPFEDSA-N 2 2 280.362 3.152 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C(F)F)c3)C2)C1 ZINC000292065859 198150922 /nfs/dbraw/zinc/15/09/22/198150922.db2.gz DAFFZHSHKNCBSQ-MRXNPFEDSA-N 2 2 280.362 3.152 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000365634365 234117920 /nfs/dbraw/zinc/11/79/20/234117920.db2.gz YIJNPPJDFPORNE-LBPRGKRZSA-N 2 2 289.345 3.332 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292159349 198186708 /nfs/dbraw/zinc/18/67/08/198186708.db2.gz OIZRMNAFQRHZHJ-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292159349 198186710 /nfs/dbraw/zinc/18/67/10/198186710.db2.gz OIZRMNAFQRHZHJ-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292159349 198186712 /nfs/dbraw/zinc/18/67/12/198186712.db2.gz OIZRMNAFQRHZHJ-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292159349 198186713 /nfs/dbraw/zinc/18/67/13/198186713.db2.gz OIZRMNAFQRHZHJ-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000152265046 188005149 /nfs/dbraw/zinc/00/51/49/188005149.db2.gz YXOYSBAPQFBVSI-OAHLLOKOSA-N 2 2 255.365 3.151 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000153676868 188097044 /nfs/dbraw/zinc/09/70/44/188097044.db2.gz IIRPSISTIRWEMI-HNNXBMFYSA-N 2 2 273.355 3.290 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)no1 ZINC000368454021 234308925 /nfs/dbraw/zinc/30/89/25/234308925.db2.gz IUSCHKCDFQNJHS-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cncs1 ZINC000156163968 188245701 /nfs/dbraw/zinc/24/57/01/188245701.db2.gz GJUNZRGYXMPBLM-LLVKDONJSA-N 2 2 286.404 3.303 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4c3cccc4O)n2c1 ZINC000156559078 188269151 /nfs/dbraw/zinc/26/91/51/188269151.db2.gz CWQKUEMUEJRRTO-MRXNPFEDSA-N 2 2 293.370 3.125 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)n2c1 ZINC000157668542 188331650 /nfs/dbraw/zinc/33/16/50/188331650.db2.gz SMIVBSVCYBTZLH-OAHLLOKOSA-N 2 2 299.418 3.224 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360037195 283020671 /nfs/dbraw/zinc/02/06/71/283020671.db2.gz JIZYNOIWGOVKKD-QGZVFWFLSA-N 2 2 299.393 3.178 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000368498925 283020932 /nfs/dbraw/zinc/02/09/32/283020932.db2.gz LRZAGTGVDRSUAB-MRXNPFEDSA-N 2 2 285.366 3.136 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411339733 235049665 /nfs/dbraw/zinc/04/96/65/235049665.db2.gz ZBDUZUJWCZPOAM-FGTMMUONSA-N 2 2 299.393 3.351 20 0 CGADLP C[C@@H]([NH2+]CCc1cncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000411513193 235063929 /nfs/dbraw/zinc/06/39/29/235063929.db2.gz UGPJJJQFXJXTRE-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)C[N@@H+]1C1CC1 ZINC000421362129 291082227 /nfs/dbraw/zinc/08/22/27/291082227.db2.gz IFTOFLWTWHMSCZ-UONOGXRCSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)C[N@H+]1C1CC1 ZINC000421362129 291082229 /nfs/dbraw/zinc/08/22/29/291082229.db2.gz IFTOFLWTWHMSCZ-UONOGXRCSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423231349 236003773 /nfs/dbraw/zinc/00/37/73/236003773.db2.gz ATNZQBMHMRTHBU-MEDUHNTESA-N 2 2 276.330 3.315 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2ccccc21)c1ccccc1 ZINC000423237030 236005342 /nfs/dbraw/zinc/00/53/42/236005342.db2.gz HWAUCBOYSUEYAB-IRXDYDNUSA-N 2 2 282.387 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000423236040 236005768 /nfs/dbraw/zinc/00/57/68/236005768.db2.gz HEFHHUZWCRVKSO-GXTWGEPZSA-N 2 2 260.406 3.407 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247652 236008048 /nfs/dbraw/zinc/00/80/48/236008048.db2.gz QQLPEESMTMOEDB-RHSMWYFYSA-N 2 2 254.377 3.346 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)sc1Cl ZINC000423282201 236021246 /nfs/dbraw/zinc/02/12/46/236021246.db2.gz CIWQJWLWPBGLPL-LURJTMIESA-N 2 2 267.225 3.443 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1F ZINC000423389521 236059822 /nfs/dbraw/zinc/05/98/22/236059822.db2.gz NOLRSIVMQHANJJ-MLGOLLRUSA-N 2 2 294.414 3.263 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423369281 236052785 /nfs/dbraw/zinc/05/27/85/236052785.db2.gz OAZHGSYZSOYDRL-IUCAKERBSA-N 2 2 252.745 3.084 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423530050 236092966 /nfs/dbraw/zinc/09/29/66/236092966.db2.gz PCFPVOPOLCFAMK-KSSFIOAISA-N 3 2 298.434 3.040 20 0 CGADLP Cc1ccc(NCc2c[nH+]cn2C(C)C)c(C[NH+](C)C)c1 ZINC000424150971 236125406 /nfs/dbraw/zinc/12/54/06/236125406.db2.gz GYHKOBZDYBCEHJ-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCc2cc[nH+]cc2C)c(F)c1 ZINC000424165049 236127497 /nfs/dbraw/zinc/12/74/97/236127497.db2.gz XZFKHAULBGVCHN-UHFFFAOYSA-N 2 2 276.330 3.309 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000294456612 199047219 /nfs/dbraw/zinc/04/72/19/199047219.db2.gz YQEZSUSXGLSWEX-OAHLLOKOSA-N 2 2 299.418 3.200 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000294929675 199256343 /nfs/dbraw/zinc/25/63/43/199256343.db2.gz KOKQSJAHTQAGSF-UHFFFAOYSA-N 2 2 288.435 3.112 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000294924550 199252398 /nfs/dbraw/zinc/25/23/98/199252398.db2.gz CVVNQYFGLRQQHT-DLTWYDFYSA-N 2 2 290.451 3.271 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303363 237076090 /nfs/dbraw/zinc/07/60/90/237076090.db2.gz BBRUYTWQZZSJJA-NUXNZHGMSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303363 237076101 /nfs/dbraw/zinc/07/61/01/237076101.db2.gz BBRUYTWQZZSJJA-NUXNZHGMSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839053 200290123 /nfs/dbraw/zinc/29/01/23/200290123.db2.gz NWDRZRCPRAGLLZ-SUMWQHHRSA-N 2 2 299.418 3.344 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839053 200290125 /nfs/dbraw/zinc/29/01/25/200290125.db2.gz NWDRZRCPRAGLLZ-SUMWQHHRSA-N 2 2 299.418 3.344 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000537647619 376189479 /nfs/dbraw/zinc/18/94/79/376189479.db2.gz QOLMLRRLWDWSQQ-IETPZCKNSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000537647619 376189492 /nfs/dbraw/zinc/18/94/92/376189492.db2.gz QOLMLRRLWDWSQQ-IETPZCKNSA-N 2 2 264.457 3.416 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000178115440 189091766 /nfs/dbraw/zinc/09/17/66/189091766.db2.gz QSCUUBYCZVTGIE-CYBMUJFWSA-N 2 2 289.448 3.412 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000178300557 189104089 /nfs/dbraw/zinc/10/40/89/189104089.db2.gz BHBQLTMLJCTBJN-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000178539313 189125355 /nfs/dbraw/zinc/12/53/55/189125355.db2.gz FBUQLGDRFMTQIY-UKRRQHHQSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000178539313 189125356 /nfs/dbraw/zinc/12/53/56/189125356.db2.gz FBUQLGDRFMTQIY-UKRRQHHQSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539313 189125357 /nfs/dbraw/zinc/12/53/57/189125357.db2.gz FBUQLGDRFMTQIY-UKRRQHHQSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539313 189125358 /nfs/dbraw/zinc/12/53/58/189125358.db2.gz FBUQLGDRFMTQIY-UKRRQHHQSA-N 2 2 272.392 3.347 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)s1 ZINC000179833145 189222963 /nfs/dbraw/zinc/22/29/63/189222963.db2.gz QHTOBAFHASWNPF-UHFFFAOYSA-N 2 2 252.427 3.019 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000179851973 189223746 /nfs/dbraw/zinc/22/37/46/189223746.db2.gz LRBDYTYMRKSGKA-HIFRSBDPSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000179851973 189223747 /nfs/dbraw/zinc/22/37/47/189223747.db2.gz LRBDYTYMRKSGKA-HIFRSBDPSA-N 2 2 255.365 3.099 20 0 CGADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)s1 ZINC000181058876 189287089 /nfs/dbraw/zinc/28/70/89/189287089.db2.gz VZJHGTZKMDGKJG-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)s1 ZINC000181058876 189287090 /nfs/dbraw/zinc/28/70/90/189287090.db2.gz VZJHGTZKMDGKJG-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP C[N@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)C1CCCC1 ZINC000301531192 201051082 /nfs/dbraw/zinc/05/10/82/201051082.db2.gz POIDAQBOAAGIQZ-UHFFFAOYSA-N 2 2 276.428 3.060 20 0 CGADLP C[N@@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)C1CCCC1 ZINC000301531192 201051084 /nfs/dbraw/zinc/05/10/84/201051084.db2.gz POIDAQBOAAGIQZ-UHFFFAOYSA-N 2 2 276.428 3.060 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3o2)CC1 ZINC000182452207 189323772 /nfs/dbraw/zinc/32/37/72/189323772.db2.gz CYSWZTYSXQXVIX-ZDUSSCGKSA-N 2 2 287.407 3.351 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1F ZINC000182772042 189334412 /nfs/dbraw/zinc/33/44/12/189334412.db2.gz GFFYYTWXLDDDFU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1F ZINC000182772042 189334413 /nfs/dbraw/zinc/33/44/13/189334413.db2.gz GFFYYTWXLDDDFU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000301658760 201120339 /nfs/dbraw/zinc/12/03/39/201120339.db2.gz WJYGEJUEIFJRTK-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(C)c(C)[nH+]1 ZINC000301700905 201146184 /nfs/dbraw/zinc/14/61/84/201146184.db2.gz SKJUROMCZLODFG-MRXNPFEDSA-N 2 2 288.439 3.078 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c(C)[nH+]1 ZINC000301700905 201146187 /nfs/dbraw/zinc/14/61/87/201146187.db2.gz SKJUROMCZLODFG-MRXNPFEDSA-N 2 2 288.439 3.078 20 0 CGADLP CCN(CC)c1ccc(CNc2nc(C)[nH+]c(C)c2C)c[nH+]1 ZINC000301714253 201155888 /nfs/dbraw/zinc/15/58/88/201155888.db2.gz ZGTSNUBHCQMLBN-UHFFFAOYSA-N 2 2 299.422 3.255 20 0 CGADLP Cc1cccc(CC[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000449124166 239190839 /nfs/dbraw/zinc/19/08/39/239190839.db2.gz OIINYQRIDMJIBZ-UHFFFAOYSA-N 2 2 283.419 3.414 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000449212009 239245519 /nfs/dbraw/zinc/24/55/19/239245519.db2.gz YXQBVQQEVYCIJG-OLMNPRSZSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000449212009 239245531 /nfs/dbraw/zinc/24/55/31/239245531.db2.gz YXQBVQQEVYCIJG-OLMNPRSZSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449255973 239273278 /nfs/dbraw/zinc/27/32/78/239273278.db2.gz BFHROFCTSIVGTR-HIFRSBDPSA-N 2 2 295.386 3.165 20 0 CGADLP FC1(F)CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000335663988 212382567 /nfs/dbraw/zinc/38/25/67/212382567.db2.gz YZFRICFNTZUOLC-GFCCVEGCSA-N 2 2 283.366 3.415 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000450631813 240009804 /nfs/dbraw/zinc/00/98/04/240009804.db2.gz HQZYKDSWWUPMPV-INIZCTEOSA-N 2 2 273.424 3.175 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000450631813 240009808 /nfs/dbraw/zinc/00/98/08/240009808.db2.gz HQZYKDSWWUPMPV-INIZCTEOSA-N 2 2 273.424 3.175 20 0 CGADLP CSC[C@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068577 240211076 /nfs/dbraw/zinc/21/10/76/240211076.db2.gz QKGCSNLHTOTKDR-JKSUJKDBSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068577 240211082 /nfs/dbraw/zinc/21/10/82/240211082.db2.gz QKGCSNLHTOTKDR-JKSUJKDBSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000451068577 240211084 /nfs/dbraw/zinc/21/10/84/240211084.db2.gz QKGCSNLHTOTKDR-JKSUJKDBSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000451068577 240211090 /nfs/dbraw/zinc/21/10/90/240211090.db2.gz QKGCSNLHTOTKDR-JKSUJKDBSA-N 2 2 284.513 3.324 20 0 CGADLP C[C@H]([NH2+]CCCOCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120714003 370794059 /nfs/dbraw/zinc/79/40/59/370794059.db2.gz WJJVOXVXCOQKFR-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000275412975 193027370 /nfs/dbraw/zinc/02/73/70/193027370.db2.gz BGUCNYGFBJCUTE-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000275412975 193027373 /nfs/dbraw/zinc/02/73/73/193027373.db2.gz BGUCNYGFBJCUTE-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120920674 370812952 /nfs/dbraw/zinc/81/29/52/370812952.db2.gz VVXROXWNYCTVAI-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120920674 370812957 /nfs/dbraw/zinc/81/29/57/370812957.db2.gz VVXROXWNYCTVAI-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CC2)C2CCC2)c[nH+]1 ZINC000453627303 240983360 /nfs/dbraw/zinc/98/33/60/240983360.db2.gz VRAKVGOXTILWBC-QGZVFWFLSA-N 2 2 258.409 3.491 20 0 CGADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)s1 ZINC000459420899 242103416 /nfs/dbraw/zinc/10/34/16/242103416.db2.gz LJHGIQVNSKQUTA-OAHLLOKOSA-N 2 2 291.464 3.119 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(C4CCC4)CCC3)c[nH+]c12 ZINC000459763224 242216258 /nfs/dbraw/zinc/21/62/58/242216258.db2.gz YJPHGKQMMFZBDA-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC000459766841 242221243 /nfs/dbraw/zinc/22/12/43/242221243.db2.gz PVMQTKWIAZMHNE-PVAVHDDUSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1cc[nH+]c(NCC2([NH+](C)C)CCCCCC2)c1 ZINC000460423484 242269183 /nfs/dbraw/zinc/26/91/83/242269183.db2.gz HHUIFDUJEKIORF-UHFFFAOYSA-N 2 2 261.413 3.457 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000479441445 243104207 /nfs/dbraw/zinc/10/42/07/243104207.db2.gz UIQLHXWXFAKKAF-RHSMWYFYSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000479441445 243104212 /nfs/dbraw/zinc/10/42/12/243104212.db2.gz UIQLHXWXFAKKAF-RHSMWYFYSA-N 2 2 272.436 3.354 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433915 243104305 /nfs/dbraw/zinc/10/43/05/243104305.db2.gz CJTQLBVRLTWMRU-GOEBONIOSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433915 243104308 /nfs/dbraw/zinc/10/43/08/243104308.db2.gz CJTQLBVRLTWMRU-GOEBONIOSA-N 2 2 297.446 3.500 20 0 CGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCCC1)C1CC1 ZINC000479872998 243126857 /nfs/dbraw/zinc/12/68/57/243126857.db2.gz NJFBVRMFZVCSEZ-GOSISDBHSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCCC1)C1CC1 ZINC000479872998 243126862 /nfs/dbraw/zinc/12/68/62/243126862.db2.gz NJFBVRMFZVCSEZ-GOSISDBHSA-N 2 2 272.436 3.429 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481948496 243210799 /nfs/dbraw/zinc/21/07/99/243210799.db2.gz AMRFMQQIOGVGPA-ZWKOTPCHSA-N 2 2 292.467 3.248 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000022935947 368814078 /nfs/dbraw/zinc/81/40/78/368814078.db2.gz YQRGAQJQKRIXKW-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000022935947 368814084 /nfs/dbraw/zinc/81/40/84/368814084.db2.gz YQRGAQJQKRIXKW-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000019960492 368791042 /nfs/dbraw/zinc/79/10/42/368791042.db2.gz ZTDCCQVWGYFUFB-HUUCEWRRSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000019960492 368791045 /nfs/dbraw/zinc/79/10/45/368791045.db2.gz ZTDCCQVWGYFUFB-HUUCEWRRSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000019960496 368791065 /nfs/dbraw/zinc/79/10/65/368791065.db2.gz ZTDCCQVWGYFUFB-LSDHHAIUSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000019960496 368791067 /nfs/dbraw/zinc/79/10/67/368791067.db2.gz ZTDCCQVWGYFUFB-LSDHHAIUSA-N 2 2 276.424 3.220 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000031995074 368921837 /nfs/dbraw/zinc/92/18/37/368921837.db2.gz PSUTZUFBQQWBFO-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000031995074 368921845 /nfs/dbraw/zinc/92/18/45/368921845.db2.gz PSUTZUFBQQWBFO-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3CCCCC3)cc2)c[nH+]1 ZINC000034990835 368986207 /nfs/dbraw/zinc/98/62/07/368986207.db2.gz VQTAIHCCLWIWSC-UHFFFAOYSA-N 2 2 255.365 3.295 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000034993521 368986906 /nfs/dbraw/zinc/98/69/06/368986906.db2.gz RUWDHFCEMHEHKY-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157348 369072856 /nfs/dbraw/zinc/07/28/56/369072856.db2.gz QKCYAUIXTAOQSO-UONOGXRCSA-N 2 2 273.380 3.021 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157406 369073056 /nfs/dbraw/zinc/07/30/56/369073056.db2.gz VFZRNZYKVLISBQ-STQMWFEESA-N 2 2 275.421 3.344 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000037157517 369073321 /nfs/dbraw/zinc/07/33/21/369073321.db2.gz YUKDYHDAVKHCQM-ZJUUUORDSA-N 2 2 269.801 3.337 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000037228665 369076312 /nfs/dbraw/zinc/07/63/12/369076312.db2.gz JFPPHXMZDWTLQP-MRXNPFEDSA-N 2 2 274.452 3.428 20 0 CGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000037273177 369080360 /nfs/dbraw/zinc/08/03/60/369080360.db2.gz LHXMRNHFHVIDEJ-OAHLLOKOSA-N 2 2 261.413 3.075 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000037979292 369131338 /nfs/dbraw/zinc/13/13/38/369131338.db2.gz MCBWNAIVFLEODE-OAHLLOKOSA-N 2 2 294.439 3.437 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037979034 369131453 /nfs/dbraw/zinc/13/14/53/369131453.db2.gz QDPQPQMUKJFSBZ-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000040433308 369155350 /nfs/dbraw/zinc/15/53/50/369155350.db2.gz XAXKNCOQPJGOMQ-SFHVURJKSA-N 2 2 272.436 3.010 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041119749 369175622 /nfs/dbraw/zinc/17/56/22/369175622.db2.gz ORMSMHYHIIPUJI-LLVKDONJSA-N 2 2 292.452 3.296 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)s1 ZINC000041203265 369180645 /nfs/dbraw/zinc/18/06/45/369180645.db2.gz OWXOVXQNYZBAJB-LBPRGKRZSA-N 2 2 263.410 3.248 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684684 369265246 /nfs/dbraw/zinc/26/52/46/369265246.db2.gz YPBURIAKEKOWKS-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684684 369265247 /nfs/dbraw/zinc/26/52/47/369265247.db2.gz YPBURIAKEKOWKS-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044687922 369267274 /nfs/dbraw/zinc/26/72/74/369267274.db2.gz AICQSDKFRFNBKV-ZBFHGGJFSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044687922 369267281 /nfs/dbraw/zinc/26/72/81/369267281.db2.gz AICQSDKFRFNBKV-ZBFHGGJFSA-N 2 2 258.409 3.007 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494406438 244285591 /nfs/dbraw/zinc/28/55/91/244285591.db2.gz PNZHEYUPLCVFTG-CYBMUJFWSA-N 2 2 295.386 3.296 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000049526032 369406864 /nfs/dbraw/zinc/40/68/64/369406864.db2.gz YFDLRMRWEUYORK-NSHDSACASA-N 2 2 252.789 3.085 20 0 CGADLP c1ccc([C@@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+]2CCCC2)cc1 ZINC000050267480 369433034 /nfs/dbraw/zinc/43/30/34/369433034.db2.gz KFFIKSKKBDBQPN-ZWKOTPCHSA-N 2 2 286.419 3.106 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000050226789 369433699 /nfs/dbraw/zinc/43/36/99/369433699.db2.gz XFJCCGVPSBWUNW-MRXNPFEDSA-N 2 2 272.417 3.033 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000129230810 370979418 /nfs/dbraw/zinc/97/94/18/370979418.db2.gz OCRAKEBMFWOJHC-GFCCVEGCSA-N 2 2 277.799 3.271 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254767 369623305 /nfs/dbraw/zinc/62/33/05/369623305.db2.gz OSWKGBVZJPGADB-HNNXBMFYSA-N 2 2 287.407 3.096 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000067500794 369719416 /nfs/dbraw/zinc/71/94/16/369719416.db2.gz QYQNWYDOGYQMDD-ZDUSSCGKSA-N 2 2 275.421 3.031 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(C)C)C1 ZINC000072857998 369840193 /nfs/dbraw/zinc/84/01/93/369840193.db2.gz RWKDSRWTKPMERJ-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(C)C)C1 ZINC000072857998 369840200 /nfs/dbraw/zinc/84/02/00/369840200.db2.gz RWKDSRWTKPMERJ-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000072857998 369840207 /nfs/dbraw/zinc/84/02/07/369840207.db2.gz RWKDSRWTKPMERJ-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000072857998 369840214 /nfs/dbraw/zinc/84/02/14/369840214.db2.gz RWKDSRWTKPMERJ-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP C(C1CCCC1)[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075937977 369921818 /nfs/dbraw/zinc/92/18/18/369921818.db2.gz JESOLGNEGFPTBZ-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C(C1CCCC1)[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075937977 369921823 /nfs/dbraw/zinc/92/18/23/369921823.db2.gz JESOLGNEGFPTBZ-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085127865 370016731 /nfs/dbraw/zinc/01/67/31/370016731.db2.gz BTRMJVRQMUZKQO-VXGBXAGGSA-N 2 2 266.351 3.039 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000080428676 369987774 /nfs/dbraw/zinc/98/77/74/369987774.db2.gz DXCXEDGEIQKFFO-GXTWGEPZSA-N 2 2 257.381 3.123 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720223 370065493 /nfs/dbraw/zinc/06/54/93/370065493.db2.gz XHQZWISSRZJHLY-HOCLYGCPSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720223 370065498 /nfs/dbraw/zinc/06/54/98/370065498.db2.gz XHQZWISSRZJHLY-HOCLYGCPSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C[C@H]1CC=CCC1)C2 ZINC000093615042 370147443 /nfs/dbraw/zinc/14/74/43/370147443.db2.gz XLTCBZBMZMDVJX-YESZJQIVSA-N 2 2 262.441 3.290 20 0 CGADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C[C@H]1CC=CCC1)C2 ZINC000093615042 370147451 /nfs/dbraw/zinc/14/74/51/370147451.db2.gz XLTCBZBMZMDVJX-YESZJQIVSA-N 2 2 262.441 3.290 20 0 CGADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000093615042 370147455 /nfs/dbraw/zinc/14/74/55/370147455.db2.gz XLTCBZBMZMDVJX-YESZJQIVSA-N 2 2 262.441 3.290 20 0 CGADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000093615042 370147461 /nfs/dbraw/zinc/14/74/61/370147461.db2.gz XLTCBZBMZMDVJX-YESZJQIVSA-N 2 2 262.441 3.290 20 0 CGADLP c1[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000112342844 370421954 /nfs/dbraw/zinc/42/19/54/370421954.db2.gz DFRXIHDPRHRQTJ-HZPDHXFCSA-N 2 2 255.365 3.226 20 0 CGADLP CCCc1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000114721863 370508130 /nfs/dbraw/zinc/50/81/30/370508130.db2.gz IKRFBABPUFVYOA-UHFFFAOYSA-N 2 2 290.436 3.129 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000119059842 370639977 /nfs/dbraw/zinc/63/99/77/370639977.db2.gz UXOHJZIFANJYEK-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000131123183 371084446 /nfs/dbraw/zinc/08/44/46/371084446.db2.gz AKVOVAKUBMCODN-UHFFFAOYSA-N 2 2 278.827 3.304 20 0 CGADLP c1cn(CC[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c[nH+]1 ZINC000132027035 371145558 /nfs/dbraw/zinc/14/55/58/371145558.db2.gz NLLAYEWEFGRTKQ-UHFFFAOYSA-N 2 2 293.370 3.201 20 0 CGADLP c1cn(CC[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c[nH+]1 ZINC000132027035 371145565 /nfs/dbraw/zinc/14/55/65/371145565.db2.gz NLLAYEWEFGRTKQ-UHFFFAOYSA-N 2 2 293.370 3.201 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131657157 371122154 /nfs/dbraw/zinc/12/21/54/371122154.db2.gz UYVOVQCDCHCCLP-HNNXBMFYSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131657157 371122163 /nfs/dbraw/zinc/12/21/63/371122163.db2.gz UYVOVQCDCHCCLP-HNNXBMFYSA-N 2 2 290.313 3.013 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](CC3CCCCC3)C2)cc[nH+]1 ZINC000131760393 371128297 /nfs/dbraw/zinc/12/82/97/371128297.db2.gz FQRPXGNZJOMWGC-INIZCTEOSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](CC3CCCCC3)C2)cc[nH+]1 ZINC000131760393 371128302 /nfs/dbraw/zinc/12/83/02/371128302.db2.gz FQRPXGNZJOMWGC-INIZCTEOSA-N 2 2 260.381 3.115 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000131766840 371129054 /nfs/dbraw/zinc/12/90/54/371129054.db2.gz WPYPMYICPXRQGF-ZWKOTPCHSA-N 2 2 281.403 3.284 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000131766840 371129058 /nfs/dbraw/zinc/12/90/58/371129058.db2.gz WPYPMYICPXRQGF-ZWKOTPCHSA-N 2 2 281.403 3.284 20 0 CGADLP c1cn(CC[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000131766423 371129984 /nfs/dbraw/zinc/12/99/84/371129984.db2.gz WPYPMYICPXRQGF-QZTJIDSGSA-N 2 2 281.403 3.284 20 0 CGADLP c1cn(CC[N@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000131766423 371129987 /nfs/dbraw/zinc/12/99/87/371129987.db2.gz WPYPMYICPXRQGF-QZTJIDSGSA-N 2 2 281.403 3.284 20 0 CGADLP Clc1ccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000132050310 371149282 /nfs/dbraw/zinc/14/92/82/371149282.db2.gz IUFJHGHXNNJWAV-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP Clc1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000132050310 371149286 /nfs/dbraw/zinc/14/92/86/371149286.db2.gz IUFJHGHXNNJWAV-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000136096302 371459998 /nfs/dbraw/zinc/45/99/98/371459998.db2.gz YYWAKOZWZXQWKR-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000136096302 371460000 /nfs/dbraw/zinc/46/00/00/371460000.db2.gz YYWAKOZWZXQWKR-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151141511 371576946 /nfs/dbraw/zinc/57/69/46/371576946.db2.gz IXAOFVTVAVYVCT-HUUCEWRRSA-N 2 2 287.407 3.064 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000151688645 371626375 /nfs/dbraw/zinc/62/63/75/371626375.db2.gz ZTVGOHJTPTUYMF-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1Br ZINC000151967885 371659535 /nfs/dbraw/zinc/65/95/35/371659535.db2.gz VVJSADPPPVDSGJ-AWEZNQCLSA-N 2 2 299.256 3.442 20 0 CGADLP C[N@@H+](Cc1ccccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000152408518 371691709 /nfs/dbraw/zinc/69/17/09/371691709.db2.gz JJJAUIHNDQLLCG-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP C[N@H+](Cc1ccccc1OC(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000152408518 371691718 /nfs/dbraw/zinc/69/17/18/371691718.db2.gz JJJAUIHNDQLLCG-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP C[NH+](Cc1ccccc1OC(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000152408518 371691724 /nfs/dbraw/zinc/69/17/24/371691724.db2.gz JJJAUIHNDQLLCG-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP C[NH+](Cc1ccccc1OC(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152408518 371691729 /nfs/dbraw/zinc/69/17/29/371691729.db2.gz JJJAUIHNDQLLCG-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000287675923 371693306 /nfs/dbraw/zinc/69/33/06/371693306.db2.gz WAAORVUYSMLADX-TYNCELHUSA-N 2 2 296.455 3.366 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000287675923 371693311 /nfs/dbraw/zinc/69/33/11/371693311.db2.gz WAAORVUYSMLADX-TYNCELHUSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152451075 371695859 /nfs/dbraw/zinc/69/58/59/371695859.db2.gz COHPAJGFESAWSB-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152451075 371695869 /nfs/dbraw/zinc/69/58/69/371695869.db2.gz COHPAJGFESAWSB-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152451075 371695879 /nfs/dbraw/zinc/69/58/79/371695879.db2.gz COHPAJGFESAWSB-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152451075 371695887 /nfs/dbraw/zinc/69/58/87/371695887.db2.gz COHPAJGFESAWSB-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422695546 371757071 /nfs/dbraw/zinc/75/70/71/371757071.db2.gz PYWMNXYVKJEPQJ-MSOLQXFVSA-N 2 2 290.451 3.233 20 0 CGADLP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289683240 371792232 /nfs/dbraw/zinc/79/22/32/371792232.db2.gz MURMZYASOUHCRR-IBGZPJMESA-N 2 2 298.430 3.263 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000289576045 371763000 /nfs/dbraw/zinc/76/30/00/371763000.db2.gz HOTRVXMFLBLOHQ-CYBMUJFWSA-N 2 2 268.351 3.348 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422739970 371777725 /nfs/dbraw/zinc/77/77/25/371777725.db2.gz MLDSEYZFGYHBFJ-AWEZNQCLSA-N 2 2 299.418 3.380 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000422742122 371780399 /nfs/dbraw/zinc/78/03/99/371780399.db2.gz PKKSYGCVXLLDDO-RHSMWYFYSA-N 2 2 285.435 3.323 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422819503 371828543 /nfs/dbraw/zinc/82/85/43/371828543.db2.gz NBCUYTHMOBGQGQ-KSZLIROESA-N 3 2 295.515 3.137 20 0 CGADLP CC(C)c1nnc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422866784 371845224 /nfs/dbraw/zinc/84/52/24/371845224.db2.gz RCCZGUFWPAKDST-STQMWFEESA-N 2 2 296.484 3.062 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889871 371854839 /nfs/dbraw/zinc/85/48/39/371854839.db2.gz HCTDMYQPVQXUCQ-CPUCHLNUSA-N 2 2 276.424 3.265 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000154546612 371855059 /nfs/dbraw/zinc/85/50/59/371855059.db2.gz SRFZRBFJVXNOFX-IUODEOHRSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000154546612 371855071 /nfs/dbraw/zinc/85/50/71/371855071.db2.gz SRFZRBFJVXNOFX-IUODEOHRSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000154585632 371859434 /nfs/dbraw/zinc/85/94/34/371859434.db2.gz DWMCQHYFFBKLEA-WFASDCNBSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000154585632 371859442 /nfs/dbraw/zinc/85/94/42/371859442.db2.gz DWMCQHYFFBKLEA-WFASDCNBSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154606535 371861646 /nfs/dbraw/zinc/86/16/46/371861646.db2.gz XYRPOAYQYDVLEJ-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000289961377 371863362 /nfs/dbraw/zinc/86/33/62/371863362.db2.gz IOVBNBWRBFRSBU-KRWDZBQOSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000289961377 371863366 /nfs/dbraw/zinc/86/33/66/371863366.db2.gz IOVBNBWRBFRSBU-KRWDZBQOSA-N 2 2 283.419 3.060 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422933155 371877390 /nfs/dbraw/zinc/87/73/90/371877390.db2.gz HFJJQBUEJGLVJH-KBPBESRZSA-N 2 2 297.240 3.069 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353352871 220040752 /nfs/dbraw/zinc/04/07/52/220040752.db2.gz XFIPAQVENWBRRU-QGZVFWFLSA-N 2 2 276.399 3.303 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353352871 220040749 /nfs/dbraw/zinc/04/07/49/220040749.db2.gz XFIPAQVENWBRRU-QGZVFWFLSA-N 2 2 276.399 3.303 20 0 CGADLP CCSc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000423059201 371939661 /nfs/dbraw/zinc/93/96/61/371939661.db2.gz FFOOAFXOGCEGQB-HOTGVXAUSA-N 2 2 299.443 3.428 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423063128 371941928 /nfs/dbraw/zinc/94/19/28/371941928.db2.gz VNWZSKSGUSCQDF-CQSZACIVSA-N 2 2 298.434 3.190 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]1 ZINC000422977503 371899712 /nfs/dbraw/zinc/89/97/12/371899712.db2.gz WYFWCELXQYVHGR-CZUORRHYSA-N 2 2 270.376 3.177 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423015590 371916745 /nfs/dbraw/zinc/91/67/45/371916745.db2.gz KZJGYOLRIOKSQZ-KGLIPLIRSA-N 2 2 284.325 3.108 20 0 CGADLP C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000423023093 371920286 /nfs/dbraw/zinc/92/02/86/371920286.db2.gz IXRCXHSPENLSJT-NOZJJQNGSA-N 2 2 290.304 3.017 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423045974 371931800 /nfs/dbraw/zinc/93/18/00/371931800.db2.gz DOABYMHWSRPWOA-KBPBESRZSA-N 2 2 268.351 3.244 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423106004 371971183 /nfs/dbraw/zinc/97/11/83/371971183.db2.gz OCSLEVQZCATUOQ-LSDHHAIUSA-N 2 2 298.352 3.498 20 0 CGADLP Cc1ccoc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423128978 371980473 /nfs/dbraw/zinc/98/04/73/371980473.db2.gz LMYRVIJARLEAEX-CVEARBPZSA-N 2 2 270.376 3.171 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000290406121 371982681 /nfs/dbraw/zinc/98/26/81/371982681.db2.gz PTDOSPPKXOCMTH-OAHLLOKOSA-N 2 2 284.403 3.249 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142423 371988127 /nfs/dbraw/zinc/98/81/27/371988127.db2.gz VDLLQYXIYTYWHB-BSDSXHPESA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142423 371988133 /nfs/dbraw/zinc/98/81/33/371988133.db2.gz VDLLQYXIYTYWHB-BSDSXHPESA-N 3 2 295.515 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000290445950 371990019 /nfs/dbraw/zinc/99/00/19/371990019.db2.gz MBYHMRSOYYEGJY-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000290445950 371990025 /nfs/dbraw/zinc/99/00/25/371990025.db2.gz MBYHMRSOYYEGJY-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150801 371993160 /nfs/dbraw/zinc/99/31/60/371993160.db2.gz ZFVQNAWHCJXNAL-PBFPGSCMSA-N 2 2 258.409 3.355 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423156514 371994296 /nfs/dbraw/zinc/99/42/96/371994296.db2.gz SQXFYGUALHOCAN-XIRDDKMYSA-N 2 2 298.434 3.047 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423072624 371947591 /nfs/dbraw/zinc/94/75/91/371947591.db2.gz PWNCLKIGHWEFJW-UONOGXRCSA-N 2 2 282.815 3.098 20 0 CGADLP [NH3+]CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000423191501 372017589 /nfs/dbraw/zinc/01/75/89/372017589.db2.gz UHLLEJYVAGYZSA-MRXNPFEDSA-N 2 2 292.785 3.311 20 0 CGADLP Cn1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290570206 372018736 /nfs/dbraw/zinc/01/87/36/372018736.db2.gz TUDQUAGLCAMWOJ-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP Cn1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290570206 372018740 /nfs/dbraw/zinc/01/87/40/372018740.db2.gz TUDQUAGLCAMWOJ-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2s1 ZINC000423197166 372020616 /nfs/dbraw/zinc/02/06/16/372020616.db2.gz YFQZODILRWAKBZ-YPMHNXCESA-N 2 2 260.406 3.304 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000423395503 372060458 /nfs/dbraw/zinc/06/04/58/372060458.db2.gz STUVXEPQUXWBQI-ZFWWWQNUSA-N 2 2 262.397 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423208266 372030984 /nfs/dbraw/zinc/03/09/84/372030984.db2.gz SOMHPCBAYVYDEF-MAUKXSAKSA-N 2 2 296.414 3.278 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423222595 372040243 /nfs/dbraw/zinc/04/02/43/372040243.db2.gz BTGOAROXCZPYBC-JTQLQIEISA-N 2 2 293.411 3.128 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244039 372041509 /nfs/dbraw/zinc/04/15/09/372041509.db2.gz XCBNSCCLSKYPSG-OLZOCXBDSA-N 2 2 258.365 3.144 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423244317 372042329 /nfs/dbraw/zinc/04/23/29/372042329.db2.gz KXZDUYLGMXDBEK-LBPRGKRZSA-N 2 2 273.207 3.180 20 0 CGADLP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423180175 372008717 /nfs/dbraw/zinc/00/87/17/372008717.db2.gz IINZAVZAJODOAK-ZDUSSCGKSA-N 2 2 280.824 3.234 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1Cl ZINC000423184662 372012559 /nfs/dbraw/zinc/01/25/59/372012559.db2.gz MOBCYJKZKPEGIK-GFCCVEGCSA-N 2 2 261.196 3.383 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423186311 372013459 /nfs/dbraw/zinc/01/34/59/372013459.db2.gz OHLHQQQNJQURPJ-CYBMUJFWSA-N 2 2 288.366 3.014 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000423185442 372013762 /nfs/dbraw/zinc/01/37/62/372013762.db2.gz JKWAQGPQUCCQGS-ZFWWWQNUSA-N 2 2 276.449 3.182 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038095979 541867184 /nfs/dbraw/zinc/86/71/84/541867184.db2.gz ZEBQAUQWYUTBLR-RHSMWYFYSA-N 2 2 285.391 3.092 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)C1CCCC1 ZINC000423502412 372071241 /nfs/dbraw/zinc/07/12/41/372071241.db2.gz LWNWZBYNQQOWKM-CABCVRRESA-N 2 2 280.362 3.059 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000344199876 217094019 /nfs/dbraw/zinc/09/40/19/217094019.db2.gz SHCOQRZPKSLIJZ-MRXNPFEDSA-N 2 2 298.858 3.349 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672410 541867738 /nfs/dbraw/zinc/86/77/38/541867738.db2.gz KHAPXTNRUYROLV-OCCSQVGLSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672410 541867743 /nfs/dbraw/zinc/86/77/43/541867743.db2.gz KHAPXTNRUYROLV-OCCSQVGLSA-N 2 2 264.438 3.153 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427875768 372177607 /nfs/dbraw/zinc/17/76/07/372177607.db2.gz UJPKSHRPVSYSBF-DZGCQCFKSA-N 2 2 287.794 3.128 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292788510 372211340 /nfs/dbraw/zinc/21/13/40/372211340.db2.gz MFBHAHWPMAEBPH-LSDHHAIUSA-N 2 2 280.362 3.300 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292788510 372211343 /nfs/dbraw/zinc/21/13/43/372211343.db2.gz MFBHAHWPMAEBPH-LSDHHAIUSA-N 2 2 280.362 3.300 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672493 541870383 /nfs/dbraw/zinc/87/03/83/541870383.db2.gz RXOARILMVBBYTP-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672493 541870385 /nfs/dbraw/zinc/87/03/85/541870385.db2.gz RXOARILMVBBYTP-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000428987900 372299263 /nfs/dbraw/zinc/29/92/63/372299263.db2.gz YYDQOGNLFDWBDQ-YIONKMFJSA-N 2 2 291.439 3.163 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000428987900 372299268 /nfs/dbraw/zinc/29/92/68/372299268.db2.gz YYDQOGNLFDWBDQ-YIONKMFJSA-N 2 2 291.439 3.163 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000428987900 372299274 /nfs/dbraw/zinc/29/92/74/372299274.db2.gz YYDQOGNLFDWBDQ-YIONKMFJSA-N 2 2 291.439 3.163 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000428987900 372299279 /nfs/dbraw/zinc/29/92/79/372299279.db2.gz YYDQOGNLFDWBDQ-YIONKMFJSA-N 2 2 291.439 3.163 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@@H+]1C ZINC000344327165 217152071 /nfs/dbraw/zinc/15/20/71/217152071.db2.gz JQXHXNXTUMZVOK-YJBOKZPZSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@H+]1C ZINC000344327165 217152074 /nfs/dbraw/zinc/15/20/74/217152074.db2.gz JQXHXNXTUMZVOK-YJBOKZPZSA-N 2 2 295.430 3.321 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1C ZINC000344326775 217152292 /nfs/dbraw/zinc/15/22/92/217152292.db2.gz OAZUSIGVUFIXKY-NVXWUHKLSA-N 2 2 260.425 3.184 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1C ZINC000344326775 217152294 /nfs/dbraw/zinc/15/22/94/217152294.db2.gz OAZUSIGVUFIXKY-NVXWUHKLSA-N 2 2 260.425 3.184 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000162470944 372398473 /nfs/dbraw/zinc/39/84/73/372398473.db2.gz CLOIVJKKOFMFRR-UHFFFAOYSA-N 2 2 296.842 3.181 20 0 CGADLP Cc1sccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000293522825 372401418 /nfs/dbraw/zinc/40/14/18/372401418.db2.gz IUKSFZHGTXBAET-UHFFFAOYSA-N 2 2 261.394 3.043 20 0 CGADLP Oc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1Cl ZINC000293603660 372421965 /nfs/dbraw/zinc/42/19/65/372421965.db2.gz PCKLBJVFKWJRPD-UHFFFAOYSA-N 2 2 291.782 3.032 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621406 372407780 /nfs/dbraw/zinc/40/77/80/372407780.db2.gz HFOASTSWMZYAFY-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621406 372407782 /nfs/dbraw/zinc/40/77/82/372407782.db2.gz HFOASTSWMZYAFY-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183674 372451342 /nfs/dbraw/zinc/45/13/42/372451342.db2.gz QNGZTGOYENJVRJ-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183674 372451348 /nfs/dbraw/zinc/45/13/48/372451348.db2.gz QNGZTGOYENJVRJ-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175624 372452214 /nfs/dbraw/zinc/45/22/14/372452214.db2.gz KMAVOEBCPIVXOX-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175624 372452220 /nfs/dbraw/zinc/45/22/20/372452220.db2.gz KMAVOEBCPIVXOX-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@@H+]1C ZINC000293718475 372461267 /nfs/dbraw/zinc/46/12/67/372461267.db2.gz PJOSSEFDIZUKNV-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@H+]1C ZINC000293718475 372461274 /nfs/dbraw/zinc/46/12/74/372461274.db2.gz PJOSSEFDIZUKNV-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000163344981 372461947 /nfs/dbraw/zinc/46/19/47/372461947.db2.gz HVOADZHGFBOMAJ-WMZOPIPTSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000163344981 372461950 /nfs/dbraw/zinc/46/19/50/372461950.db2.gz HVOADZHGFBOMAJ-WMZOPIPTSA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1F ZINC000163468786 372471365 /nfs/dbraw/zinc/47/13/65/372471365.db2.gz QVBZWTSMSQXEOI-SWLSCSKDSA-N 2 2 261.344 3.152 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000163811081 372493205 /nfs/dbraw/zinc/49/32/05/372493205.db2.gz IGHNSGUBPHHBOM-KBXCAEBGSA-N 2 2 281.403 3.407 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccsc1C ZINC000294166888 372600238 /nfs/dbraw/zinc/60/02/38/372600238.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccsc1C ZINC000294166888 372600242 /nfs/dbraw/zinc/60/02/42/372600242.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1C ZINC000294166888 372600250 /nfs/dbraw/zinc/60/02/50/372600250.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1C ZINC000294166888 372600253 /nfs/dbraw/zinc/60/02/53/372600253.db2.gz IXDKZYVNVMXZIA-CABCVRRESA-N 2 2 264.438 3.115 20 0 CGADLP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000166439521 372574966 /nfs/dbraw/zinc/57/49/66/372574966.db2.gz SFIJBCQWKVWEMV-DOTOQJQBSA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000166439521 372574969 /nfs/dbraw/zinc/57/49/69/372574969.db2.gz SFIJBCQWKVWEMV-DOTOQJQBSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC(C)(F)F)n1-c1ccccc1 ZINC000294085251 372577997 /nfs/dbraw/zinc/57/79/97/372577997.db2.gz ARKDXSBPOPYFQS-UHFFFAOYSA-N 2 2 279.334 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098831 372581603 /nfs/dbraw/zinc/58/16/03/372581603.db2.gz MOPJLQHZIAMCOP-DOTOQJQBSA-N 2 2 298.434 3.001 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098831 372581612 /nfs/dbraw/zinc/58/16/12/372581612.db2.gz MOPJLQHZIAMCOP-DOTOQJQBSA-N 2 2 298.434 3.001 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000166950535 372587236 /nfs/dbraw/zinc/58/72/36/372587236.db2.gz DBCOKSPZMCOIGF-IJEWVQPXSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000166950535 372587241 /nfs/dbraw/zinc/58/72/41/372587241.db2.gz DBCOKSPZMCOIGF-IJEWVQPXSA-N 2 2 258.409 3.271 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000168720952 372617823 /nfs/dbraw/zinc/61/78/23/372617823.db2.gz DQPVBIZROIGPSH-QGZVFWFLSA-N 2 2 281.403 3.203 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000294267692 372632959 /nfs/dbraw/zinc/63/29/59/372632959.db2.gz RKIBXEDYNCIUIU-QEJZJMRPSA-N 2 2 264.438 3.334 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cs1 ZINC000294267692 372632960 /nfs/dbraw/zinc/63/29/60/372632960.db2.gz RKIBXEDYNCIUIU-QEJZJMRPSA-N 2 2 264.438 3.334 20 0 CGADLP Cc1nocc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295233670 372712350 /nfs/dbraw/zinc/71/23/50/372712350.db2.gz DDZXHZNEJUPDGH-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000428235481 284339608 /nfs/dbraw/zinc/33/96/08/284339608.db2.gz HGTFGOFKQUIESY-INIZCTEOSA-N 2 2 274.452 3.428 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000428235481 284339609 /nfs/dbraw/zinc/33/96/09/284339609.db2.gz HGTFGOFKQUIESY-INIZCTEOSA-N 2 2 274.452 3.428 20 0 CGADLP CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435387247 372755376 /nfs/dbraw/zinc/75/53/76/372755376.db2.gz YQOPPIOTUXEPIO-KRWDZBQOSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000435387247 372755384 /nfs/dbraw/zinc/75/53/84/372755384.db2.gz YQOPPIOTUXEPIO-KRWDZBQOSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435387247 372755391 /nfs/dbraw/zinc/75/53/91/372755391.db2.gz YQOPPIOTUXEPIO-KRWDZBQOSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435387247 372755402 /nfs/dbraw/zinc/75/54/02/372755402.db2.gz YQOPPIOTUXEPIO-KRWDZBQOSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435387248 372756775 /nfs/dbraw/zinc/75/67/75/372756775.db2.gz YQOPPIOTUXEPIO-QGZVFWFLSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000435387248 372756781 /nfs/dbraw/zinc/75/67/81/372756781.db2.gz YQOPPIOTUXEPIO-QGZVFWFLSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435387248 372756789 /nfs/dbraw/zinc/75/67/89/372756789.db2.gz YQOPPIOTUXEPIO-QGZVFWFLSA-N 2 2 298.434 3.041 20 0 CGADLP CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435387248 372756795 /nfs/dbraw/zinc/75/67/95/372756795.db2.gz YQOPPIOTUXEPIO-QGZVFWFLSA-N 2 2 298.434 3.041 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](CCC)CC2)n1 ZINC000494306646 535448847 /nfs/dbraw/zinc/44/88/47/535448847.db2.gz CWRSVWCOZSDWFQ-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000435742204 372801414 /nfs/dbraw/zinc/80/14/14/372801414.db2.gz TWXXJQLPYRTANE-SCTFDZSOSA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)[C@@H](C)C1 ZINC000435742204 372801417 /nfs/dbraw/zinc/80/14/17/372801417.db2.gz TWXXJQLPYRTANE-SCTFDZSOSA-N 2 2 294.389 3.141 20 0 CGADLP CCC(CC)[N@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000353450290 220091603 /nfs/dbraw/zinc/09/16/03/220091603.db2.gz PIZNQHGYUJYURQ-UHFFFAOYSA-N 2 2 278.440 3.460 20 0 CGADLP CCC(CC)[N@@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000353450290 220091605 /nfs/dbraw/zinc/09/16/05/220091605.db2.gz PIZNQHGYUJYURQ-UHFFFAOYSA-N 2 2 278.440 3.460 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438085311 372874005 /nfs/dbraw/zinc/87/40/05/372874005.db2.gz BEDOCEHNAQILLZ-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858240 284353549 /nfs/dbraw/zinc/35/35/49/284353549.db2.gz NQAHFYZRPHQULG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858240 284353553 /nfs/dbraw/zinc/35/35/53/284353553.db2.gz NQAHFYZRPHQULG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858240 284353558 /nfs/dbraw/zinc/35/35/58/284353558.db2.gz NQAHFYZRPHQULG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858240 284353562 /nfs/dbraw/zinc/35/35/62/284353562.db2.gz NQAHFYZRPHQULG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC000171930675 372858181 /nfs/dbraw/zinc/85/81/81/372858181.db2.gz KNMGNIKUFKHBQP-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC000171930675 372858192 /nfs/dbraw/zinc/85/81/92/372858192.db2.gz KNMGNIKUFKHBQP-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCSC1 ZINC000442869089 373111169 /nfs/dbraw/zinc/11/11/69/373111169.db2.gz ALUURTASHYWJCG-OAHLLOKOSA-N 2 2 282.497 3.128 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000173335211 373126929 /nfs/dbraw/zinc/12/69/29/373126929.db2.gz IRNQNZWBOIOPSY-CQSZACIVSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000443009938 373141848 /nfs/dbraw/zinc/14/18/48/373141848.db2.gz MENQAOWMEBHGJR-LBPRGKRZSA-N 2 2 297.324 3.389 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc[nH]c2)c(C)c1 ZINC000344884683 217344004 /nfs/dbraw/zinc/34/40/04/217344004.db2.gz KJNCGRMSZSHICD-SFHVURJKSA-N 2 2 294.402 3.359 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899293 217349355 /nfs/dbraw/zinc/34/93/55/217349355.db2.gz DWEKYOGOJQPLOJ-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899293 217349358 /nfs/dbraw/zinc/34/93/58/217349358.db2.gz DWEKYOGOJQPLOJ-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP Clc1ccccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000299332832 373509437 /nfs/dbraw/zinc/50/94/37/373509437.db2.gz LRIMRSPAVRMNCH-UHFFFAOYSA-N 2 2 278.827 3.447 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447898714 373519290 /nfs/dbraw/zinc/51/92/90/373519290.db2.gz YGAVQAOYCXVXKO-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447898714 373519295 /nfs/dbraw/zinc/51/92/95/373519295.db2.gz YGAVQAOYCXVXKO-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447945972 373527428 /nfs/dbraw/zinc/52/74/28/373527428.db2.gz SHURKFFEURACFJ-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447945972 373527437 /nfs/dbraw/zinc/52/74/37/373527437.db2.gz SHURKFFEURACFJ-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CCC1 ZINC000448022250 373537511 /nfs/dbraw/zinc/53/75/11/373537511.db2.gz NENUQODZLJTJHQ-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CCC1 ZINC000448022250 373537520 /nfs/dbraw/zinc/53/75/20/373537520.db2.gz NENUQODZLJTJHQ-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032256 373541704 /nfs/dbraw/zinc/54/17/04/373541704.db2.gz WFCMDBDQFXQPFR-VXGBXAGGSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032256 373541712 /nfs/dbraw/zinc/54/17/12/373541712.db2.gz WFCMDBDQFXQPFR-VXGBXAGGSA-N 2 2 280.378 3.427 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000300411413 373628699 /nfs/dbraw/zinc/62/86/99/373628699.db2.gz MYKQXODKDVRASX-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000300411413 373628706 /nfs/dbraw/zinc/62/87/06/373628706.db2.gz MYKQXODKDVRASX-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000178065915 373740462 /nfs/dbraw/zinc/74/04/62/373740462.db2.gz FKSDEAAFKHXRJI-GJZGRUSLSA-N 2 2 296.480 3.290 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000178074092 373741981 /nfs/dbraw/zinc/74/19/81/373741981.db2.gz VDMFNWWIQCBWBU-LSDHHAIUSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000178074092 373741987 /nfs/dbraw/zinc/74/19/87/373741987.db2.gz VDMFNWWIQCBWBU-LSDHHAIUSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329136 373766751 /nfs/dbraw/zinc/76/67/51/373766751.db2.gz KANQGWPCCZVBFI-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329136 373766757 /nfs/dbraw/zinc/76/67/57/373766757.db2.gz KANQGWPCCZVBFI-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178327988 373766954 /nfs/dbraw/zinc/76/69/54/373766954.db2.gz VKSMPGGWVBWOBN-CABCVRRESA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178327988 373766961 /nfs/dbraw/zinc/76/69/61/373766961.db2.gz VKSMPGGWVBWOBN-CABCVRRESA-N 2 2 296.480 3.064 20 0 CGADLP C[N@H+](CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000178964847 373820744 /nfs/dbraw/zinc/82/07/44/373820744.db2.gz AEGKGCDUTCEDNT-UHFFFAOYSA-N 2 2 254.377 3.276 20 0 CGADLP C[N@@H+](CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000178964847 373820755 /nfs/dbraw/zinc/82/07/55/373820755.db2.gz AEGKGCDUTCEDNT-UHFFFAOYSA-N 2 2 254.377 3.276 20 0 CGADLP CO[C@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000449487930 373778037 /nfs/dbraw/zinc/77/80/37/373778037.db2.gz ZORQCAUKDJOEDJ-LJQANCHMSA-N 2 2 298.430 3.474 20 0 CGADLP Clc1c[nH+]ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000301500903 373780361 /nfs/dbraw/zinc/78/03/61/373780361.db2.gz GBKVNRDUSZLQBN-UHFFFAOYSA-N 2 2 293.823 3.267 20 0 CGADLP Clc1c[nH+]ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000301500903 373780367 /nfs/dbraw/zinc/78/03/67/373780367.db2.gz GBKVNRDUSZLQBN-UHFFFAOYSA-N 2 2 293.823 3.267 20 0 CGADLP CCO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000449492373 373785157 /nfs/dbraw/zinc/78/51/57/373785157.db2.gz BVWPPPBELMFJCY-RDJZCZTQSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000449492373 373785161 /nfs/dbraw/zinc/78/51/61/373785161.db2.gz BVWPPPBELMFJCY-RDJZCZTQSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000449499729 373796088 /nfs/dbraw/zinc/79/60/88/373796088.db2.gz UFCCQGICWRBIAX-FUHWJXTLSA-N 2 2 290.451 3.363 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000449750977 373879659 /nfs/dbraw/zinc/87/96/59/373879659.db2.gz ACACJAGAYFVVKA-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc(C)[nH+]1 ZINC000302516849 373885533 /nfs/dbraw/zinc/88/55/33/373885533.db2.gz HLKZRXAEGPEDDE-UHFFFAOYSA-N 2 2 296.418 3.475 20 0 CGADLP Cc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc[nH+]1 ZINC000302584396 373899939 /nfs/dbraw/zinc/89/99/39/373899939.db2.gz UJAJKHAHIYKWJR-HNNXBMFYSA-N 2 2 291.345 3.383 20 0 CGADLP Cc1cc(N(C)CC[N@H+](C)C2CC2)c2cccc(F)c2[nH+]1 ZINC000302245411 373842796 /nfs/dbraw/zinc/84/27/96/373842796.db2.gz KNJFGBJWZOUYTL-UHFFFAOYSA-N 2 2 287.382 3.213 20 0 CGADLP Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2cccc(F)c2[nH+]1 ZINC000302245411 373842802 /nfs/dbraw/zinc/84/28/02/373842802.db2.gz KNJFGBJWZOUYTL-UHFFFAOYSA-N 2 2 287.382 3.213 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000302806097 373969988 /nfs/dbraw/zinc/96/99/88/373969988.db2.gz CRQKMOJBXMGXIV-GJZGRUSLSA-N 2 2 269.392 3.350 20 0 CGADLP CCc1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000289489703 197372389 /nfs/dbraw/zinc/37/23/89/197372389.db2.gz CIWPJGQZLUUYJN-UHFFFAOYSA-N 2 2 283.419 3.190 20 0 CGADLP CCc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)cc1 ZINC000289489703 197372391 /nfs/dbraw/zinc/37/23/91/197372391.db2.gz CIWPJGQZLUUYJN-UHFFFAOYSA-N 2 2 283.419 3.190 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450451000 374137891 /nfs/dbraw/zinc/13/78/91/374137891.db2.gz IDYXDCDOOAVFQO-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450451000 374137896 /nfs/dbraw/zinc/13/78/96/374137896.db2.gz IDYXDCDOOAVFQO-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450451000 374137901 /nfs/dbraw/zinc/13/79/01/374137901.db2.gz IDYXDCDOOAVFQO-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450451000 374137907 /nfs/dbraw/zinc/13/79/07/374137907.db2.gz IDYXDCDOOAVFQO-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309854549 374198714 /nfs/dbraw/zinc/19/87/14/374198714.db2.gz BQXRNFXYCKOERI-HLLBOEOZSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309854549 374198722 /nfs/dbraw/zinc/19/87/22/374198722.db2.gz BQXRNFXYCKOERI-HLLBOEOZSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309854551 374198907 /nfs/dbraw/zinc/19/89/07/374198907.db2.gz BQXRNFXYCKOERI-VYDXJSESSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309854551 374198912 /nfs/dbraw/zinc/19/89/12/374198912.db2.gz BQXRNFXYCKOERI-VYDXJSESSA-N 2 2 260.425 3.285 20 0 CGADLP Clc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310191424 374210478 /nfs/dbraw/zinc/21/04/78/374210478.db2.gz DFZQQQOXLNKTHX-QWRGUYRKSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310191424 374210486 /nfs/dbraw/zinc/21/04/86/374210486.db2.gz DFZQQQOXLNKTHX-QWRGUYRKSA-N 2 2 270.829 3.118 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000181907335 374190183 /nfs/dbraw/zinc/19/01/83/374190183.db2.gz OFNGRJMTFLVNPK-DLBZAZTESA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181907335 374190188 /nfs/dbraw/zinc/19/01/88/374190188.db2.gz OFNGRJMTFLVNPK-DLBZAZTESA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)C[C@H](c2ccccc2)C1 ZINC000312023071 374266343 /nfs/dbraw/zinc/26/63/43/374266343.db2.gz VSTKQTPYJZPUHL-USXIJHARSA-N 2 2 260.425 3.110 20 0 CGADLP C[N@H+](CCCCCF)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122120 374242574 /nfs/dbraw/zinc/24/25/74/374242574.db2.gz UQONVJXPWOKLFT-UHFFFAOYSA-N 2 2 298.368 3.475 20 0 CGADLP C[N@@H+](CCCCCF)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122120 374242582 /nfs/dbraw/zinc/24/25/82/374242582.db2.gz UQONVJXPWOKLFT-UHFFFAOYSA-N 2 2 298.368 3.475 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1N1CCCC1 ZINC000182661183 374308121 /nfs/dbraw/zinc/30/81/21/374308121.db2.gz GXTWCZWJYMGELO-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1N1CCCC1 ZINC000182661183 374308133 /nfs/dbraw/zinc/30/81/33/374308133.db2.gz GXTWCZWJYMGELO-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182792071 374327645 /nfs/dbraw/zinc/32/76/45/374327645.db2.gz WKNXNISNRADEMX-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182792071 374327652 /nfs/dbraw/zinc/32/76/52/374327652.db2.gz WKNXNISNRADEMX-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000182810081 374330077 /nfs/dbraw/zinc/33/00/77/374330077.db2.gz UCXGWFIVEBODJF-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000182810081 374330082 /nfs/dbraw/zinc/33/00/82/374330082.db2.gz UCXGWFIVEBODJF-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@@H](C)C3)[nH+]c12 ZINC000080236216 541922704 /nfs/dbraw/zinc/92/27/04/541922704.db2.gz MSXUAELTVCHGMB-UKRRQHHQSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000325049845 374358101 /nfs/dbraw/zinc/35/81/01/374358101.db2.gz PBTYFJVAEAJCES-DOMZBBRYSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C(C2CCC2)C2CCC2)C[N@H+]1C1CC1 ZINC000325049845 374358109 /nfs/dbraw/zinc/35/81/09/374358109.db2.gz PBTYFJVAEAJCES-DOMZBBRYSA-N 2 2 262.441 3.170 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284492 374392218 /nfs/dbraw/zinc/39/22/18/374392218.db2.gz KSFUQKNEKZJMAU-ZOBORPQBSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284492 374392222 /nfs/dbraw/zinc/39/22/22/374392222.db2.gz KSFUQKNEKZJMAU-ZOBORPQBSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334142201 206058602 /nfs/dbraw/zinc/05/86/02/206058602.db2.gz MLBFQKLLGQBXNR-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000334142201 206058606 /nfs/dbraw/zinc/05/86/06/206058606.db2.gz MLBFQKLLGQBXNR-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000183227485 374389282 /nfs/dbraw/zinc/38/92/82/374389282.db2.gz UNMPDAOGKALQOE-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP CC1(C)CC([NH2+]Cc2nc3c(s2)CCC3)CC(C)(C)[NH2+]1 ZINC000093053471 541979154 /nfs/dbraw/zinc/97/91/54/541979154.db2.gz HQEQJDQLKGEQRL-UHFFFAOYSA-N 2 2 293.480 3.031 20 0 CGADLP Cc1[nH+]ccc(N2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000334253113 374663399 /nfs/dbraw/zinc/66/33/99/374663399.db2.gz LTDOHLWRBRZREG-UHFFFAOYSA-N 2 2 276.771 3.081 20 0 CGADLP FC1(F)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000334395337 374711326 /nfs/dbraw/zinc/71/13/26/374711326.db2.gz BQKGPWSWTVUFQV-UHFFFAOYSA-N 2 2 295.377 3.218 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185676923 374712243 /nfs/dbraw/zinc/71/22/43/374712243.db2.gz GQKJWJVWONNIJQ-KXBFYZLASA-N 2 2 298.430 3.476 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)oc1C ZINC000185723956 374724547 /nfs/dbraw/zinc/72/45/47/374724547.db2.gz LOKFNCHFEYUDMQ-ZFWWWQNUSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)oc1C ZINC000185723956 374724553 /nfs/dbraw/zinc/72/45/53/374724553.db2.gz LOKFNCHFEYUDMQ-ZFWWWQNUSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)oc1C ZINC000185723942 374725078 /nfs/dbraw/zinc/72/50/78/374725078.db2.gz LOKFNCHFEYUDMQ-UKRRQHHQSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)oc1C ZINC000185723942 374725086 /nfs/dbraw/zinc/72/50/86/374725086.db2.gz LOKFNCHFEYUDMQ-UKRRQHHQSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186322244 374832114 /nfs/dbraw/zinc/83/21/14/374832114.db2.gz MVNVXDMYCKJDTM-YWZLYKJASA-N 2 2 294.442 3.435 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000187676911 375069944 /nfs/dbraw/zinc/06/99/44/375069944.db2.gz KMUBTRHGTQFHNN-ROUUACIJSA-N 2 2 283.419 3.373 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000335026012 375080213 /nfs/dbraw/zinc/08/02/13/375080213.db2.gz YAFSAELJRRVMNB-DLBZAZTESA-N 2 2 270.351 3.369 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000474468301 375111948 /nfs/dbraw/zinc/11/19/48/375111948.db2.gz MGDOOQKPJFOTBJ-KKUMJFAQSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000474468301 375111952 /nfs/dbraw/zinc/11/19/52/375111952.db2.gz MGDOOQKPJFOTBJ-KKUMJFAQSA-N 2 2 252.446 3.418 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000188205132 375174752 /nfs/dbraw/zinc/17/47/52/375174752.db2.gz XMSMYBOBFLSGCW-JKSUJKDBSA-N 2 2 260.425 3.458 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@H]1c1ccccc1 ZINC000188205132 375174760 /nfs/dbraw/zinc/17/47/60/375174760.db2.gz XMSMYBOBFLSGCW-JKSUJKDBSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000487274621 375215822 /nfs/dbraw/zinc/21/58/22/375215822.db2.gz GKLOWPZVOKWSRT-BBRMVZONSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H](C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489866600 375319485 /nfs/dbraw/zinc/31/94/85/375319485.db2.gz ZKQIOMYSNSIFQM-LBPRGKRZSA-N 2 2 280.378 3.381 20 0 CGADLP CC[C@H](C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489866600 375319491 /nfs/dbraw/zinc/31/94/91/375319491.db2.gz ZKQIOMYSNSIFQM-LBPRGKRZSA-N 2 2 280.378 3.381 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000335684307 375344883 /nfs/dbraw/zinc/34/48/83/375344883.db2.gz JUSVSTNSTRCHGL-CABCVRRESA-N 2 2 269.392 3.166 20 0 CGADLP COc1cccc2c(N3CCC([NH2+]C(C)C)CC3)cc[nH+]c12 ZINC000189331682 375368937 /nfs/dbraw/zinc/36/89/37/375368937.db2.gz BNEUONVCIFAQKL-UHFFFAOYSA-N 2 2 299.418 3.210 20 0 CGADLP C[N@H+](Cc1c(Cl)oc2ccccc21)C1CC[NH2+]CC1 ZINC000335734818 375387025 /nfs/dbraw/zinc/38/70/25/375387025.db2.gz UBTQJVKBRGDHRZ-UHFFFAOYSA-N 2 2 278.783 3.270 20 0 CGADLP C[N@@H+](Cc1c(Cl)oc2ccccc21)C1CC[NH2+]CC1 ZINC000335734818 375387030 /nfs/dbraw/zinc/38/70/30/375387030.db2.gz UBTQJVKBRGDHRZ-UHFFFAOYSA-N 2 2 278.783 3.270 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000335917878 375538720 /nfs/dbraw/zinc/53/87/20/375538720.db2.gz JZAVXRFXDMSGMJ-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000335917878 375538725 /nfs/dbraw/zinc/53/87/25/375538725.db2.gz JZAVXRFXDMSGMJ-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000335860250 375491073 /nfs/dbraw/zinc/49/10/73/375491073.db2.gz ASUDNNGOOKFWPO-PCKAHOCUSA-N 2 2 281.403 3.042 20 0 CGADLP C[N@H+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335996992 375603093 /nfs/dbraw/zinc/60/30/93/375603093.db2.gz OLNKDYIMTLXGTH-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[N@@H+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335996992 375603098 /nfs/dbraw/zinc/60/30/98/375603098.db2.gz OLNKDYIMTLXGTH-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335996992 375603105 /nfs/dbraw/zinc/60/31/05/375603105.db2.gz OLNKDYIMTLXGTH-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335996992 375603113 /nfs/dbraw/zinc/60/31/13/375603113.db2.gz OLNKDYIMTLXGTH-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000335997938 375604619 /nfs/dbraw/zinc/60/46/19/375604619.db2.gz ULOMIKLHYMRWLJ-NSHDSACASA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000335997938 375604624 /nfs/dbraw/zinc/60/46/24/375604624.db2.gz ULOMIKLHYMRWLJ-NSHDSACASA-N 2 2 281.812 3.125 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000336005108 375611713 /nfs/dbraw/zinc/61/17/13/375611713.db2.gz POOHTJKNOLWTGG-LLVKDONJSA-N 2 2 296.201 3.364 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120952609 542014121 /nfs/dbraw/zinc/01/41/21/542014121.db2.gz JLSBSEAXFTXALF-MLGOLLRUSA-N 2 2 280.362 3.026 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120952609 542014123 /nfs/dbraw/zinc/01/41/23/542014123.db2.gz JLSBSEAXFTXALF-MLGOLLRUSA-N 2 2 280.362 3.026 20 0 CGADLP Clc1ccsc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000193013024 375815635 /nfs/dbraw/zinc/81/56/35/375815635.db2.gz XNNQUSZAZIACRU-UHFFFAOYSA-N 2 2 284.856 3.366 20 0 CGADLP C[N@H+](CCSCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000193622021 375899904 /nfs/dbraw/zinc/89/99/04/375899904.db2.gz WRHFVNNXALAZPK-UHFFFAOYSA-N 2 2 289.448 3.138 20 0 CGADLP C[N@@H+](CCSCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000193622021 375899913 /nfs/dbraw/zinc/89/99/13/375899913.db2.gz WRHFVNNXALAZPK-UHFFFAOYSA-N 2 2 289.448 3.138 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000336704797 375911874 /nfs/dbraw/zinc/91/18/74/375911874.db2.gz HJVYAEZWOUVXHH-VNQPRFMTSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000336704797 375911877 /nfs/dbraw/zinc/91/18/77/375911877.db2.gz HJVYAEZWOUVXHH-VNQPRFMTSA-N 2 2 258.409 3.038 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cs2)C1 ZINC000194420790 376002814 /nfs/dbraw/zinc/00/28/14/376002814.db2.gz PYDQRONYCKJSMG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cs2)C1 ZINC000194420790 376002819 /nfs/dbraw/zinc/00/28/19/376002819.db2.gz PYDQRONYCKJSMG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194420790 376002824 /nfs/dbraw/zinc/00/28/24/376002824.db2.gz PYDQRONYCKJSMG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194420790 376002826 /nfs/dbraw/zinc/00/28/26/376002826.db2.gz PYDQRONYCKJSMG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(O)c1Cl ZINC000336907788 376029772 /nfs/dbraw/zinc/02/97/72/376029772.db2.gz ZGBTYZWRRVLSOR-ZDUSSCGKSA-N 2 2 296.842 3.400 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(O)c1Cl ZINC000336907788 376029776 /nfs/dbraw/zinc/02/97/76/376029776.db2.gz ZGBTYZWRRVLSOR-ZDUSSCGKSA-N 2 2 296.842 3.400 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000535691584 376047723 /nfs/dbraw/zinc/04/77/23/376047723.db2.gz ITLLKGGODCFPNX-UHFFFAOYSA-N 2 2 295.430 3.145 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(O)c1 ZINC000194880665 376053614 /nfs/dbraw/zinc/05/36/14/376053614.db2.gz DBPAXEGBOOMLOR-AWEZNQCLSA-N 2 2 285.391 3.330 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000217617209 376176545 /nfs/dbraw/zinc/17/65/45/376176545.db2.gz LAWXIGAGIGJDHQ-CFVMTHIKSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000217617209 376176550 /nfs/dbraw/zinc/17/65/50/376176550.db2.gz LAWXIGAGIGJDHQ-CFVMTHIKSA-N 2 2 250.430 3.051 20 0 CGADLP C[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000337270724 376182009 /nfs/dbraw/zinc/18/20/09/376182009.db2.gz ZYCXMWVHAICWSB-HZMBPMFUSA-N 2 2 261.756 3.088 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000221149452 376212473 /nfs/dbraw/zinc/21/24/73/376212473.db2.gz CINDDCHQRVDYFS-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000221149452 376212479 /nfs/dbraw/zinc/21/24/79/376212479.db2.gz CINDDCHQRVDYFS-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337385517 376217832 /nfs/dbraw/zinc/21/78/32/376217832.db2.gz LAZVLWLAQRCLLR-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337385517 376217835 /nfs/dbraw/zinc/21/78/35/376217835.db2.gz LAZVLWLAQRCLLR-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000538117089 376221641 /nfs/dbraw/zinc/22/16/41/376221641.db2.gz PXDGOBXXWFYSKQ-CRAIPNDOSA-N 2 2 272.436 3.378 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000538117089 376221652 /nfs/dbraw/zinc/22/16/52/376221652.db2.gz PXDGOBXXWFYSKQ-CRAIPNDOSA-N 2 2 272.436 3.378 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)ccn1 ZINC000338001474 376253302 /nfs/dbraw/zinc/25/33/02/376253302.db2.gz XUEUIUJGLNXONI-RBUKOAKNSA-N 2 2 299.462 3.214 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000338203181 376281823 /nfs/dbraw/zinc/28/18/23/376281823.db2.gz CFLDDOYWGVKAFG-OZVIIMIRSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000338203181 376281831 /nfs/dbraw/zinc/28/18/31/376281831.db2.gz CFLDDOYWGVKAFG-OZVIIMIRSA-N 2 2 292.373 3.169 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1(C)C ZINC000539494241 376314595 /nfs/dbraw/zinc/31/45/95/376314595.db2.gz CDJSKRORKSVRLS-VNQPRFMTSA-N 2 2 282.472 3.043 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1(C)C ZINC000539494241 376314598 /nfs/dbraw/zinc/31/45/98/376314598.db2.gz CDJSKRORKSVRLS-VNQPRFMTSA-N 2 2 282.472 3.043 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000539703842 376327144 /nfs/dbraw/zinc/32/71/44/376327144.db2.gz RVSZXYONLAYJOO-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000539703842 376327148 /nfs/dbraw/zinc/32/71/48/376327148.db2.gz RVSZXYONLAYJOO-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000338236158 376293864 /nfs/dbraw/zinc/29/38/64/376293864.db2.gz HTHFJNHDSYKHAR-GJZGRUSLSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000338236158 376293870 /nfs/dbraw/zinc/29/38/70/376293870.db2.gz HTHFJNHDSYKHAR-GJZGRUSLSA-N 2 2 286.410 3.372 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000539217957 376298281 /nfs/dbraw/zinc/29/82/81/376298281.db2.gz ONQGTBSSSKAYJC-WMLDXEAASA-N 2 2 258.409 3.069 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000539217957 376298287 /nfs/dbraw/zinc/29/82/87/376298287.db2.gz ONQGTBSSSKAYJC-WMLDXEAASA-N 2 2 258.409 3.069 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000227676513 376405901 /nfs/dbraw/zinc/40/59/01/376405901.db2.gz VXZUJDGTVVFACK-TZMCWYRMSA-N 2 2 255.365 3.164 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000227282132 376385422 /nfs/dbraw/zinc/38/54/22/376385422.db2.gz MLCOZTTXXQKGKY-UHFFFAOYSA-N 2 2 278.415 3.346 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753358 376394002 /nfs/dbraw/zinc/39/40/02/376394002.db2.gz NZXMIFICABRSNX-PBHICJAKSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753358 376394010 /nfs/dbraw/zinc/39/40/10/376394010.db2.gz NZXMIFICABRSNX-PBHICJAKSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000228338033 376435981 /nfs/dbraw/zinc/43/59/81/376435981.db2.gz GEUTTYMHBSEXBI-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1Br ZINC000228338033 376435987 /nfs/dbraw/zinc/43/59/87/376435987.db2.gz GEUTTYMHBSEXBI-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000262701089 190061407 /nfs/dbraw/zinc/06/14/07/190061407.db2.gz IFZAZAONUCFVFN-KRWDZBQOSA-N 2 2 299.374 3.330 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338690915 376482114 /nfs/dbraw/zinc/48/21/14/376482114.db2.gz VNRMQZHOHMBPCH-VDHUWJSZSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338690915 376482119 /nfs/dbraw/zinc/48/21/19/376482119.db2.gz VNRMQZHOHMBPCH-VDHUWJSZSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338775601 376526133 /nfs/dbraw/zinc/52/61/33/376526133.db2.gz GGQRLNWDDKWKNB-QBBQCFRVSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338775601 376526140 /nfs/dbraw/zinc/52/61/40/376526140.db2.gz GGQRLNWDDKWKNB-QBBQCFRVSA-N 2 2 272.436 3.251 20 0 CGADLP C1=CC[C@H](C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000236571734 376667850 /nfs/dbraw/zinc/66/78/50/376667850.db2.gz JKLNYQCLTOGANC-INIZCTEOSA-N 2 2 294.508 3.294 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000235439484 376641013 /nfs/dbraw/zinc/64/10/13/376641013.db2.gz SDRFPCFEODQWPD-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000235439484 376641016 /nfs/dbraw/zinc/64/10/16/376641016.db2.gz SDRFPCFEODQWPD-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCCCC1 ZINC000236697107 376682739 /nfs/dbraw/zinc/68/27/39/376682739.db2.gz FRTVCPXIPMUCLM-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000544042241 376698304 /nfs/dbraw/zinc/69/83/04/376698304.db2.gz VSJBJSKWQLTNKH-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000544042241 376698306 /nfs/dbraw/zinc/69/83/06/376698306.db2.gz VSJBJSKWQLTNKH-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000544042241 376698309 /nfs/dbraw/zinc/69/83/09/376698309.db2.gz VSJBJSKWQLTNKH-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000544042241 376698311 /nfs/dbraw/zinc/69/83/11/376698311.db2.gz VSJBJSKWQLTNKH-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000545187477 376793734 /nfs/dbraw/zinc/79/37/34/376793734.db2.gz SGJNGMCIHUZHCX-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000545187477 376793744 /nfs/dbraw/zinc/79/37/44/376793744.db2.gz SGJNGMCIHUZHCX-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP CCCC[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156321911 542127758 /nfs/dbraw/zinc/12/77/58/542127758.db2.gz LSBLHAIDEDTIDW-CQSZACIVSA-N 2 2 259.397 3.354 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCc4ccccc43)[nH+]c12 ZINC000156301567 542127680 /nfs/dbraw/zinc/12/76/80/542127680.db2.gz IUYDCHPHSRNMKG-GOSISDBHSA-N 2 2 291.398 3.462 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157781007 542139174 /nfs/dbraw/zinc/13/91/74/542139174.db2.gz KATRRUMFFFTILH-WMZOPIPTSA-N 2 2 270.420 3.138 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157781007 542139177 /nfs/dbraw/zinc/13/91/77/542139177.db2.gz KATRRUMFFFTILH-WMZOPIPTSA-N 2 2 270.420 3.138 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157809542 542139430 /nfs/dbraw/zinc/13/94/30/542139430.db2.gz MGDDOOZRBVQRKE-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157809542 542139434 /nfs/dbraw/zinc/13/94/34/542139434.db2.gz MGDDOOZRBVQRKE-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245608139 376867467 /nfs/dbraw/zinc/86/74/67/376867467.db2.gz ACFHHBAPQBKDSV-JKSUJKDBSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245608139 376867474 /nfs/dbraw/zinc/86/74/74/376867474.db2.gz ACFHHBAPQBKDSV-JKSUJKDBSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000340244395 376960695 /nfs/dbraw/zinc/96/06/95/376960695.db2.gz HQRJNZAYKMPARO-HUUCEWRRSA-N 2 2 282.472 3.185 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000340244395 376960702 /nfs/dbraw/zinc/96/07/02/376960702.db2.gz HQRJNZAYKMPARO-HUUCEWRRSA-N 2 2 282.472 3.185 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000558698530 377035134 /nfs/dbraw/zinc/03/51/34/377035134.db2.gz HOZGDLQPQFGIPW-UONOGXRCSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000558698530 377035142 /nfs/dbraw/zinc/03/51/42/377035142.db2.gz HOZGDLQPQFGIPW-UONOGXRCSA-N 2 2 296.405 3.217 20 0 CGADLP Cc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246297226 377006553 /nfs/dbraw/zinc/00/65/53/377006553.db2.gz PKOVAEROIDUEOJ-WBVHZDCISA-N 2 2 299.418 3.153 20 0 CGADLP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246297226 377006563 /nfs/dbraw/zinc/00/65/63/377006563.db2.gz PKOVAEROIDUEOJ-WBVHZDCISA-N 2 2 299.418 3.153 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000247213483 377177454 /nfs/dbraw/zinc/17/74/54/377177454.db2.gz XCMBBPJGCWWUGF-JMSVASOKSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000247213483 377177465 /nfs/dbraw/zinc/17/74/65/377177465.db2.gz XCMBBPJGCWWUGF-JMSVASOKSA-N 2 2 294.439 3.435 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000562567514 377331328 /nfs/dbraw/zinc/33/13/28/377331328.db2.gz YMIFDILXHAYPDL-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000562567514 377331335 /nfs/dbraw/zinc/33/13/35/377331335.db2.gz YMIFDILXHAYPDL-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1COC(C)C)[C@@H]1CCC[NH2+]1 ZINC000562958720 377378739 /nfs/dbraw/zinc/37/87/39/377378739.db2.gz NZDXADLSBSDHEY-MSOLQXFVSA-N 2 2 290.451 3.232 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000249105628 377463547 /nfs/dbraw/zinc/46/35/47/377463547.db2.gz QHBAQSKIKOMCIO-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000249105628 377463554 /nfs/dbraw/zinc/46/35/54/377463554.db2.gz QHBAQSKIKOMCIO-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000163703299 542168624 /nfs/dbraw/zinc/16/86/24/542168624.db2.gz RXPCBDTUZNOCIK-SJORKVTESA-N 2 2 296.499 3.292 20 0 CGADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1F ZINC000165785830 542172212 /nfs/dbraw/zinc/17/22/12/542172212.db2.gz WSBCTKJNSLJZLK-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP COc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1F ZINC000165785830 542172214 /nfs/dbraw/zinc/17/22/14/542172214.db2.gz WSBCTKJNSLJZLK-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1csc(Cl)c1 ZINC000313256328 249089549 /nfs/dbraw/zinc/08/95/49/249089549.db2.gz UCHPEZRCLMQGIY-VIFPVBQESA-N 2 2 269.801 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000166518727 542174578 /nfs/dbraw/zinc/17/45/78/542174578.db2.gz KOLHROYVKSMWKG-MCIONIFRSA-N 2 2 279.453 3.119 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000166518727 542174581 /nfs/dbraw/zinc/17/45/81/542174581.db2.gz KOLHROYVKSMWKG-MCIONIFRSA-N 2 2 279.453 3.119 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000341423421 377561285 /nfs/dbraw/zinc/56/12/85/377561285.db2.gz KRJADNYQYPZNJI-QGZVFWFLSA-N 2 2 289.467 3.460 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251705641 377596314 /nfs/dbraw/zinc/59/63/14/377596314.db2.gz PBKZGNOYKTYTLZ-QEJZJMRPSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251705641 377596316 /nfs/dbraw/zinc/59/63/16/377596316.db2.gz PBKZGNOYKTYTLZ-QEJZJMRPSA-N 2 2 292.398 3.112 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000341757832 377616073 /nfs/dbraw/zinc/61/60/73/377616073.db2.gz MEUFNSFNCRIQCQ-OAHLLOKOSA-N 2 2 294.826 3.239 20 0 CGADLP CC(C)[NH+]1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000341742511 377616790 /nfs/dbraw/zinc/61/67/90/377616790.db2.gz FGMFTTUHVQWCLS-UHFFFAOYSA-N 2 2 289.810 3.419 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252721977 377657724 /nfs/dbraw/zinc/65/77/24/377657724.db2.gz PHHYKFIMKVNLRB-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252721977 377657732 /nfs/dbraw/zinc/65/77/32/377657732.db2.gz PHHYKFIMKVNLRB-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000342656401 377715795 /nfs/dbraw/zinc/71/57/95/377715795.db2.gz BSOYZRYVMJKCFS-JLSDUUJJSA-N 2 2 290.451 3.119 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000342747791 377773647 /nfs/dbraw/zinc/77/36/47/377773647.db2.gz WKEIQPFFYGGBCU-UHOFOFEASA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000342747791 377773655 /nfs/dbraw/zinc/77/36/55/377773655.db2.gz WKEIQPFFYGGBCU-UHOFOFEASA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(Cl)c1Cl ZINC000261947676 377871725 /nfs/dbraw/zinc/87/17/25/377871725.db2.gz NMBYEVIWGMZYGU-YUMQZZPRSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(Cl)c1Cl ZINC000261947676 377871728 /nfs/dbraw/zinc/87/17/28/377871728.db2.gz NMBYEVIWGMZYGU-YUMQZZPRSA-N 2 2 279.236 3.224 20 0 CGADLP Cc1ccoc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000343264222 377942676 /nfs/dbraw/zinc/94/26/76/377942676.db2.gz KKNVKOLGQAJOEL-UHFFFAOYSA-N 2 2 295.386 3.165 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576033231 378008824 /nfs/dbraw/zinc/00/88/24/378008824.db2.gz FQOLUUZVZCUCGG-HZMBPMFUSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576033231 378008829 /nfs/dbraw/zinc/00/88/29/378008829.db2.gz FQOLUUZVZCUCGG-HZMBPMFUSA-N 2 2 287.794 3.198 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000343406539 377971481 /nfs/dbraw/zinc/97/14/81/377971481.db2.gz VLCMBXJIHMCLRF-CQSZACIVSA-N 2 2 286.341 3.308 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000343583296 378028050 /nfs/dbraw/zinc/02/80/50/378028050.db2.gz YIBMVWYVACXMEI-ZIAGYGMSSA-N 2 2 264.413 3.046 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000578622262 378086387 /nfs/dbraw/zinc/08/63/87/378086387.db2.gz HANXWKIPQFPJFG-IBGZPJMESA-N 2 2 296.414 3.178 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc3ccccc3c2)n1C ZINC000577963581 378026424 /nfs/dbraw/zinc/02/64/24/378026424.db2.gz GCFPXCBTTRZUFK-UHFFFAOYSA-N 2 2 279.387 3.214 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000268830029 378125385 /nfs/dbraw/zinc/12/53/85/378125385.db2.gz KCLPGOZOVMTNLK-JKOKRWQUSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000268830029 378125389 /nfs/dbraw/zinc/12/53/89/378125389.db2.gz KCLPGOZOVMTNLK-JKOKRWQUSA-N 2 2 264.438 3.190 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268864282 378135359 /nfs/dbraw/zinc/13/53/59/378135359.db2.gz KHIZPWZVJOIBRX-KSSFIOAISA-N 2 2 290.451 3.344 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268756666 378103224 /nfs/dbraw/zinc/10/32/24/378103224.db2.gz LUDDDHZPMAPNNO-LBPRGKRZSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000268945984 378160593 /nfs/dbraw/zinc/16/05/93/378160593.db2.gz WSFBQNNVJWJIRL-XQQFMLRXSA-N 2 2 291.464 3.328 20 0 CGADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580924572 378269106 /nfs/dbraw/zinc/26/91/06/378269106.db2.gz BKSKNSKHLMQEMO-GUYCJALGSA-N 2 2 294.402 3.088 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000582413209 378311352 /nfs/dbraw/zinc/31/13/52/378311352.db2.gz CYPHIWYTJHMIMS-MRXNPFEDSA-N 2 2 258.409 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000582413209 378311358 /nfs/dbraw/zinc/31/13/58/378311358.db2.gz CYPHIWYTJHMIMS-MRXNPFEDSA-N 2 2 258.409 3.443 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345689528 378344111 /nfs/dbraw/zinc/34/41/11/378344111.db2.gz AGDIALNAFLWYIA-GOEBONIOSA-N 2 2 291.439 3.184 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000270884914 378410851 /nfs/dbraw/zinc/41/08/51/378410851.db2.gz OEBBKRXJYUIYET-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000270884914 378410861 /nfs/dbraw/zinc/41/08/61/378410861.db2.gz OEBBKRXJYUIYET-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000270640347 378379542 /nfs/dbraw/zinc/37/95/42/378379542.db2.gz JAWWSRAECOIXHN-GOSISDBHSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000270640347 378379544 /nfs/dbraw/zinc/37/95/44/378379544.db2.gz JAWWSRAECOIXHN-GOSISDBHSA-N 2 2 283.419 3.207 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346083778 378459072 /nfs/dbraw/zinc/45/90/72/378459072.db2.gz SUMNYBAHHWDBHG-GFCCVEGCSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346083778 378459076 /nfs/dbraw/zinc/45/90/76/378459076.db2.gz SUMNYBAHHWDBHG-GFCCVEGCSA-N 2 2 290.407 3.477 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346088427 378461003 /nfs/dbraw/zinc/46/10/03/378461003.db2.gz JQDNAWLOYYIOCR-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346088427 378461006 /nfs/dbraw/zinc/46/10/06/378461006.db2.gz JQDNAWLOYYIOCR-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000346299638 378537132 /nfs/dbraw/zinc/53/71/32/378537132.db2.gz CCSWGXSICYQAHV-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000346299638 378537135 /nfs/dbraw/zinc/53/71/35/378537135.db2.gz CCSWGXSICYQAHV-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP FC(F)(F)c1cccc(C2([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000346308078 378538383 /nfs/dbraw/zinc/53/83/83/378538383.db2.gz HDTHNTREFUOUNV-UHFFFAOYSA-N 2 2 295.308 3.181 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000346306573 378538682 /nfs/dbraw/zinc/53/86/82/378538682.db2.gz IUHYDLBAOUTNQV-NSHDSACASA-N 2 2 279.334 3.163 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000346306573 378538685 /nfs/dbraw/zinc/53/86/85/378538685.db2.gz IUHYDLBAOUTNQV-NSHDSACASA-N 2 2 279.334 3.163 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000638017295 378668321 /nfs/dbraw/zinc/66/83/21/378668321.db2.gz FOERZEHROQIYJN-OAHLLOKOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000638017295 378668325 /nfs/dbraw/zinc/66/83/25/378668325.db2.gz FOERZEHROQIYJN-OAHLLOKOSA-N 2 2 285.391 3.037 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC000346686903 378675259 /nfs/dbraw/zinc/67/52/59/378675259.db2.gz KTDHHHIPBJLIFH-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC000346686903 378675263 /nfs/dbraw/zinc/67/52/63/378675263.db2.gz KTDHHHIPBJLIFH-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1)CC(C)(C)[NH3+] ZINC000346818599 378690426 /nfs/dbraw/zinc/69/04/26/378690426.db2.gz GXVUIBZYGBLEOH-UHFFFAOYSA-N 2 2 261.196 3.163 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CC(C)(C)[NH3+] ZINC000346818599 378690430 /nfs/dbraw/zinc/69/04/30/378690430.db2.gz GXVUIBZYGBLEOH-UHFFFAOYSA-N 2 2 261.196 3.163 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954581 378644974 /nfs/dbraw/zinc/64/49/74/378644974.db2.gz XSYRIHRCGZPRFJ-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954581 378644980 /nfs/dbraw/zinc/64/49/80/378644980.db2.gz XSYRIHRCGZPRFJ-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000348089310 378785715 /nfs/dbraw/zinc/78/57/15/378785715.db2.gz UPVVITZLVKEJKS-OSRDXIQISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C[N@H+]1C1CC1 ZINC000348089310 378785719 /nfs/dbraw/zinc/78/57/19/378785719.db2.gz UPVVITZLVKEJKS-OSRDXIQISA-N 2 2 250.430 3.026 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CCO)CCCCC1 ZINC000348089524 378786025 /nfs/dbraw/zinc/78/60/25/378786025.db2.gz VEWUYRKOWRYKBV-UHFFFAOYSA-N 2 2 290.451 3.245 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)[C@H](C)C2 ZINC000348186122 378829102 /nfs/dbraw/zinc/82/91/02/378829102.db2.gz LYTFYLQXUZYVPP-QIIPPGSGSA-N 2 2 281.403 3.029 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CCC[N@@H+]1C ZINC000346799749 218016293 /nfs/dbraw/zinc/01/62/93/218016293.db2.gz OGZJDZRGTWACBE-VHDGCEQUSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CCC[N@H+]1C ZINC000346799749 218016296 /nfs/dbraw/zinc/01/62/96/218016296.db2.gz OGZJDZRGTWACBE-VHDGCEQUSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cnc2ccsc2c1 ZINC000346799934 218017352 /nfs/dbraw/zinc/01/73/52/218017352.db2.gz PBDBGZCTRMHWNA-OBJOEFQTSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cnc2ccsc2c1 ZINC000346799934 218017353 /nfs/dbraw/zinc/01/73/53/218017353.db2.gz PBDBGZCTRMHWNA-OBJOEFQTSA-N 2 2 289.448 3.430 20 0 CGADLP Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)cc[nH+]1 ZINC000274354015 378816273 /nfs/dbraw/zinc/81/62/73/378816273.db2.gz LKXSLRAGKMEIBU-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348247277 378862494 /nfs/dbraw/zinc/86/24/94/378862494.db2.gz QSJSJGQPMHQXKX-DLBZAZTESA-N 2 2 260.425 3.112 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348247277 378862500 /nfs/dbraw/zinc/86/25/00/378862500.db2.gz QSJSJGQPMHQXKX-DLBZAZTESA-N 2 2 260.425 3.112 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cs1 ZINC000346881608 218046027 /nfs/dbraw/zinc/04/60/27/218046027.db2.gz OAJBLRQCZMZZLT-QWHCGFSZSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)C ZINC000346975142 218074068 /nfs/dbraw/zinc/07/40/68/218074068.db2.gz UUKYBMLSDHUHDG-HZPDHXFCSA-N 2 2 290.455 3.068 20 0 CGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)o1 ZINC000638854517 378937144 /nfs/dbraw/zinc/93/71/44/378937144.db2.gz QMHQRROMGXPPHV-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC000638854517 378937147 /nfs/dbraw/zinc/93/71/47/378937147.db2.gz QMHQRROMGXPPHV-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274885509 378912568 /nfs/dbraw/zinc/91/25/68/378912568.db2.gz HSDSPOBABJETGJ-RDJZCZTQSA-N 2 2 283.419 3.468 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274885509 378912572 /nfs/dbraw/zinc/91/25/72/378912572.db2.gz HSDSPOBABJETGJ-RDJZCZTQSA-N 2 2 283.419 3.468 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc2cccnc12 ZINC000347003120 218086478 /nfs/dbraw/zinc/08/64/78/218086478.db2.gz KPRGJRPJIAOHQF-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc2cccnc12 ZINC000347003120 218086481 /nfs/dbraw/zinc/08/64/81/218086481.db2.gz KPRGJRPJIAOHQF-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc2cccnc12 ZINC000347003121 218086623 /nfs/dbraw/zinc/08/66/23/218086623.db2.gz KPRGJRPJIAOHQF-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc2cccnc12 ZINC000347003121 218086624 /nfs/dbraw/zinc/08/66/24/218086624.db2.gz KPRGJRPJIAOHQF-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000275251902 378951529 /nfs/dbraw/zinc/95/15/29/378951529.db2.gz PGVSOVPGQXDJFV-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000275251902 378951536 /nfs/dbraw/zinc/95/15/36/378951536.db2.gz PGVSOVPGQXDJFV-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000639041941 378978957 /nfs/dbraw/zinc/97/89/57/378978957.db2.gz QFZJVCFESLZOSX-CRAIPNDOSA-N 2 2 297.402 3.132 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000639041941 378978963 /nfs/dbraw/zinc/97/89/63/378978963.db2.gz QFZJVCFESLZOSX-CRAIPNDOSA-N 2 2 297.402 3.132 20 0 CGADLP CCC[N@H+](CCCc1c[nH+]ccc1C)CCN1CCCC1 ZINC000348546586 378986656 /nfs/dbraw/zinc/98/66/56/378986656.db2.gz DEYWRGOOIASQNH-UHFFFAOYSA-N 2 2 289.467 3.130 20 0 CGADLP CCC[N@@H+](CCCc1c[nH+]ccc1C)CCN1CCCC1 ZINC000348546586 378986660 /nfs/dbraw/zinc/98/66/60/378986660.db2.gz DEYWRGOOIASQNH-UHFFFAOYSA-N 2 2 289.467 3.130 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c[nH+]1 ZINC000348553057 378991260 /nfs/dbraw/zinc/99/12/60/378991260.db2.gz WPRCJZGNFOHLAU-AEFFLSMTSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c[nH+]1 ZINC000348553057 378991262 /nfs/dbraw/zinc/99/12/62/378991262.db2.gz WPRCJZGNFOHLAU-AEFFLSMTSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccco1)CCC2 ZINC000370681947 379055282 /nfs/dbraw/zinc/05/52/82/379055282.db2.gz LHZVLYZQUQKSNT-DZGCQCFKSA-N 2 2 287.407 3.273 20 0 CGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCCC1 ZINC000348835764 379073729 /nfs/dbraw/zinc/07/37/29/379073729.db2.gz UMHUKZBFUSXFQJ-CYBMUJFWSA-N 2 2 270.380 3.317 20 0 CGADLP C[C@H]1CCCC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836770 379075149 /nfs/dbraw/zinc/07/51/49/379075149.db2.gz XURJJJSUQGBACU-ZFWWWQNUSA-N 2 2 270.380 3.317 20 0 CGADLP CC[C@](C)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC000639176267 379094916 /nfs/dbraw/zinc/09/49/16/379094916.db2.gz UDXNDJXQSCFRPK-QGZVFWFLSA-N 2 2 293.455 3.190 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639204883 379134475 /nfs/dbraw/zinc/13/44/75/379134475.db2.gz DRQSCGXLXXZNSG-QRTARXTBSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639204883 379134488 /nfs/dbraw/zinc/13/44/88/379134488.db2.gz DRQSCGXLXXZNSG-QRTARXTBSA-N 2 2 276.399 3.302 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349124024 379164033 /nfs/dbraw/zinc/16/40/33/379164033.db2.gz AONYZXCYKBKCAT-JYJNAYRXSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349124024 379164038 /nfs/dbraw/zinc/16/40/38/379164038.db2.gz AONYZXCYKBKCAT-JYJNAYRXSA-N 2 2 273.424 3.202 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349184377 379180801 /nfs/dbraw/zinc/18/08/01/379180801.db2.gz IAAOVGWJSBMOEF-AWEZNQCLSA-N 2 2 287.382 3.111 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349184377 379180808 /nfs/dbraw/zinc/18/08/08/379180808.db2.gz IAAOVGWJSBMOEF-AWEZNQCLSA-N 2 2 287.382 3.111 20 0 CGADLP Oc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349379695 379257681 /nfs/dbraw/zinc/25/76/81/379257681.db2.gz CQURJXZNECEGQR-UHFFFAOYSA-N 2 2 299.418 3.281 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000349379629 379258562 /nfs/dbraw/zinc/25/85/62/379258562.db2.gz CJQCROSOSQDNQT-SJORKVTESA-N 2 2 269.392 3.009 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000349379629 379258574 /nfs/dbraw/zinc/25/85/74/379258574.db2.gz CJQCROSOSQDNQT-SJORKVTESA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(C)s1 ZINC000349416676 379274533 /nfs/dbraw/zinc/27/45/33/379274533.db2.gz KUGNVPCHFOKEIP-UHFFFAOYSA-N 2 2 269.458 3.005 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(C)s1 ZINC000349416676 379274544 /nfs/dbraw/zinc/27/45/44/379274544.db2.gz KUGNVPCHFOKEIP-UHFFFAOYSA-N 2 2 269.458 3.005 20 0 CGADLP C[C@@H](c1cccs1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347576267 218278658 /nfs/dbraw/zinc/27/86/58/218278658.db2.gz ARVNLICRCKIDEU-NSHDSACASA-N 2 2 295.477 3.459 20 0 CGADLP C[C@@H](c1cccs1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347576267 218278662 /nfs/dbraw/zinc/27/86/62/218278662.db2.gz ARVNLICRCKIDEU-NSHDSACASA-N 2 2 295.477 3.459 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000349627713 379324448 /nfs/dbraw/zinc/32/44/48/379324448.db2.gz DXLRKCFHOHHKAW-XJKSGUPXSA-N 2 2 278.465 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000349627713 379324458 /nfs/dbraw/zinc/32/44/58/379324458.db2.gz DXLRKCFHOHHKAW-XJKSGUPXSA-N 2 2 278.465 3.371 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000639378908 379337241 /nfs/dbraw/zinc/33/72/41/379337241.db2.gz UCWRMIRRCFBVJJ-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639346301 379301887 /nfs/dbraw/zinc/30/18/87/379301887.db2.gz RQXRVOVYNYVFGF-IACUBPJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639346301 379301892 /nfs/dbraw/zinc/30/18/92/379301892.db2.gz RQXRVOVYNYVFGF-IACUBPJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC000349931442 379450071 /nfs/dbraw/zinc/45/00/71/379450071.db2.gz HRTSQGJXZDKUAC-YWVDXFKGSA-N 2 2 291.345 3.100 20 0 CGADLP CC1=C(c2ccco2)C[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000374618936 379469032 /nfs/dbraw/zinc/46/90/32/379469032.db2.gz IPKJNSQHZRDUAI-UHFFFAOYSA-N 2 2 271.364 3.046 20 0 CGADLP CC1=C(c2ccco2)C[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000374618936 379469040 /nfs/dbraw/zinc/46/90/40/379469040.db2.gz IPKJNSQHZRDUAI-UHFFFAOYSA-N 2 2 271.364 3.046 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H](C)c2ccccn2)c(C)[nH+]1 ZINC000639576047 379485030 /nfs/dbraw/zinc/48/50/30/379485030.db2.gz LXSABGQQISQCRT-CQSZACIVSA-N 2 2 255.365 3.253 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)c(C)[nH+]1 ZINC000639794730 379589746 /nfs/dbraw/zinc/58/97/46/379589746.db2.gz DPUCVCLZLYIQAL-UHFFFAOYSA-N 2 2 296.418 3.030 20 0 CGADLP CCCc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376765477 379600136 /nfs/dbraw/zinc/60/01/36/379600136.db2.gz ANHZRXCEWQKHTO-UHFFFAOYSA-N 2 2 283.419 3.462 20 0 CGADLP CCOc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000376494014 379564738 /nfs/dbraw/zinc/56/47/38/379564738.db2.gz YPUKVWUZGOUUMW-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926849 379647413 /nfs/dbraw/zinc/64/74/13/379647413.db2.gz BWYRBAYYFARPEP-UKRRQHHQSA-N 2 2 262.397 3.147 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926849 379647425 /nfs/dbraw/zinc/64/74/25/379647425.db2.gz BWYRBAYYFARPEP-UKRRQHHQSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926849 379647431 /nfs/dbraw/zinc/64/74/31/379647431.db2.gz BWYRBAYYFARPEP-UKRRQHHQSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926849 379647439 /nfs/dbraw/zinc/64/74/39/379647439.db2.gz BWYRBAYYFARPEP-UKRRQHHQSA-N 2 2 262.397 3.147 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(O)c1 ZINC000377398720 379671657 /nfs/dbraw/zinc/67/16/57/379671657.db2.gz JYLIKVXQSUAETN-JEYLPNPQSA-N 2 2 274.408 3.060 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)ccc1C)CCC2 ZINC000377837491 379747917 /nfs/dbraw/zinc/74/79/17/379747917.db2.gz NIHXBGJISPVJQT-INIZCTEOSA-N 2 2 283.419 3.476 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@@H+]1C1CC1 ZINC000280747118 379779571 /nfs/dbraw/zinc/77/95/71/379779571.db2.gz XNYUVFXOUSTWFO-ZQDZILKHSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@H+]1C1CC1 ZINC000280747118 379779580 /nfs/dbraw/zinc/77/95/80/379779580.db2.gz XNYUVFXOUSTWFO-ZQDZILKHSA-N 2 2 288.410 3.287 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000347758620 218347713 /nfs/dbraw/zinc/34/77/13/218347713.db2.gz WBSZEGBMWDQAAN-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000347758620 218347714 /nfs/dbraw/zinc/34/77/14/218347714.db2.gz WBSZEGBMWDQAAN-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)[nH+]1 ZINC000281906121 379847335 /nfs/dbraw/zinc/84/73/35/379847335.db2.gz NAMWOGNBXNFMEL-HNNXBMFYSA-N 2 2 296.418 3.307 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352545457 379853354 /nfs/dbraw/zinc/85/33/54/379853354.db2.gz IZZZACRQBKZYCD-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352545457 379853358 /nfs/dbraw/zinc/85/33/58/379853358.db2.gz IZZZACRQBKZYCD-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc3sccc3c2)[C@@H](C)C1 ZINC000352452063 379819894 /nfs/dbraw/zinc/81/98/94/379819894.db2.gz AQEHNYJMSDPYDW-WFASDCNBSA-N 2 2 274.433 3.331 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc3sccc3c2)[C@@H](C)C1 ZINC000352452063 379819901 /nfs/dbraw/zinc/81/99/01/379819901.db2.gz AQEHNYJMSDPYDW-WFASDCNBSA-N 2 2 274.433 3.331 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000352810608 379975215 /nfs/dbraw/zinc/97/52/15/379975215.db2.gz OCGMTOCVVUKGGV-KSSFIOAISA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000352810608 379975222 /nfs/dbraw/zinc/97/52/22/379975222.db2.gz OCGMTOCVVUKGGV-KSSFIOAISA-N 2 2 297.446 3.091 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398975513 379932646 /nfs/dbraw/zinc/93/26/46/379932646.db2.gz YQNXKAJMCYXULU-DYEKYZERSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031603 379933429 /nfs/dbraw/zinc/93/34/29/379933429.db2.gz LXFNCNMTVABDEB-UHIISALHSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032489 379933529 /nfs/dbraw/zinc/93/35/29/379933529.db2.gz MLERZLBVDIDCCM-UHIISALHSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[NH2+]1 ZINC000399123775 379934890 /nfs/dbraw/zinc/93/48/90/379934890.db2.gz IZXUSOZPVCIJTL-SCDSUCTJSA-N 2 2 280.412 3.093 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc2occc2c1 ZINC000352760005 379944277 /nfs/dbraw/zinc/94/42/77/379944277.db2.gz MWUQPOPBGSAFIZ-UHFFFAOYSA-N 2 2 266.344 3.469 20 0 CGADLP CC(C)[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347873744 218385849 /nfs/dbraw/zinc/38/58/49/218385849.db2.gz VCYXYRVWSYFXJB-AWEZNQCLSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347873744 218385851 /nfs/dbraw/zinc/38/58/51/218385851.db2.gz VCYXYRVWSYFXJB-AWEZNQCLSA-N 2 2 295.496 3.463 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871911 218385873 /nfs/dbraw/zinc/38/58/73/218385873.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871911 218385874 /nfs/dbraw/zinc/38/58/74/218385874.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871911 218385876 /nfs/dbraw/zinc/38/58/76/218385876.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871911 218385877 /nfs/dbraw/zinc/38/58/77/218385877.db2.gz TUOOCDNSJAECJS-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c21 ZINC000352900111 380027272 /nfs/dbraw/zinc/02/72/72/380027272.db2.gz LYHHBJPCFLNHGV-KBXCAEBGSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c21 ZINC000352900111 380027276 /nfs/dbraw/zinc/02/72/76/380027276.db2.gz LYHHBJPCFLNHGV-KBXCAEBGSA-N 2 2 297.446 3.091 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000641708160 380054245 /nfs/dbraw/zinc/05/42/45/380054245.db2.gz PPHHJIINTFYLBC-CYBMUJFWSA-N 2 2 282.453 3.213 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352972282 380061860 /nfs/dbraw/zinc/06/18/60/380061860.db2.gz CJLFUKOBWVPZRQ-SJLPKXTDSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352972282 380061864 /nfs/dbraw/zinc/06/18/64/380061864.db2.gz CJLFUKOBWVPZRQ-SJLPKXTDSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352972282 380061865 /nfs/dbraw/zinc/06/18/65/380061865.db2.gz CJLFUKOBWVPZRQ-SJLPKXTDSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352972282 380061867 /nfs/dbraw/zinc/06/18/67/380061867.db2.gz CJLFUKOBWVPZRQ-SJLPKXTDSA-N 2 2 289.467 3.060 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977830 380063009 /nfs/dbraw/zinc/06/30/09/380063009.db2.gz HWZJIVWGYPGTQK-HIFRSBDPSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977830 380063016 /nfs/dbraw/zinc/06/30/16/380063016.db2.gz HWZJIVWGYPGTQK-HIFRSBDPSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977830 380063025 /nfs/dbraw/zinc/06/30/25/380063025.db2.gz HWZJIVWGYPGTQK-HIFRSBDPSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977830 380063028 /nfs/dbraw/zinc/06/30/28/380063028.db2.gz HWZJIVWGYPGTQK-HIFRSBDPSA-N 2 2 298.352 3.231 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000283187900 380045012 /nfs/dbraw/zinc/04/50/12/380045012.db2.gz KJVVJWIKQCDPHK-WFASDCNBSA-N 2 2 287.432 3.417 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(Cl)o2)CCCC1 ZINC000353146701 380139666 /nfs/dbraw/zinc/13/96/66/380139666.db2.gz FLDGHCPWPVJAAI-UHFFFAOYSA-N 2 2 270.804 3.145 20 0 CGADLP Cc1ccc(CCC[NH+]2CCN(c3ccccc3)CC2)c[nH+]1 ZINC000353359556 380204405 /nfs/dbraw/zinc/20/44/05/380204405.db2.gz VPSHLSWGTGOHRG-UHFFFAOYSA-N 2 2 295.430 3.145 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC(F)(F)F ZINC000414265913 380206251 /nfs/dbraw/zinc/20/62/51/380206251.db2.gz LYPUFHDEBSBTAD-GMXVVIOVSA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)CC(F)(F)F ZINC000414265913 380206258 /nfs/dbraw/zinc/20/62/58/380206258.db2.gz LYPUFHDEBSBTAD-GMXVVIOVSA-N 2 2 278.362 3.037 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000414129603 380192548 /nfs/dbraw/zinc/19/25/48/380192548.db2.gz VLDLXPFSSYDOMK-ROUUACIJSA-N 2 2 283.419 3.437 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000286351204 380200065 /nfs/dbraw/zinc/20/00/65/380200065.db2.gz YTVJBOQJHBNUIN-CQSZACIVSA-N 2 2 275.440 3.304 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOc2ccc(F)cc2)c[nH+]1 ZINC000353940883 380245779 /nfs/dbraw/zinc/24/57/79/380245779.db2.gz CRWQUZZFWHBZMB-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000353501079 380209806 /nfs/dbraw/zinc/20/98/06/380209806.db2.gz HSYZQPUAQXHSQM-SJORKVTESA-N 2 2 278.415 3.236 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000353501079 380209812 /nfs/dbraw/zinc/20/98/12/380209812.db2.gz HSYZQPUAQXHSQM-SJORKVTESA-N 2 2 278.415 3.236 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643068344 380210858 /nfs/dbraw/zinc/21/08/58/380210858.db2.gz FRLHIRDIFCHIOK-SJLPKXTDSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643068344 380210866 /nfs/dbraw/zinc/21/08/66/380210866.db2.gz FRLHIRDIFCHIOK-SJLPKXTDSA-N 2 2 266.388 3.024 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000353640813 380217354 /nfs/dbraw/zinc/21/73/54/380217354.db2.gz IASRKAGZXZEJCR-YOEHRIQHSA-N 2 2 285.366 3.147 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000353640813 380217358 /nfs/dbraw/zinc/21/73/58/380217358.db2.gz IASRKAGZXZEJCR-YOEHRIQHSA-N 2 2 285.366 3.147 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000353910961 380229270 /nfs/dbraw/zinc/22/92/70/380229270.db2.gz FMGGOPZNXOFYLO-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000353910961 380229277 /nfs/dbraw/zinc/22/92/77/380229277.db2.gz FMGGOPZNXOFYLO-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(OC(C)C)nc2)c[nH+]1 ZINC000353924393 380237572 /nfs/dbraw/zinc/23/75/72/380237572.db2.gz CAKLBEQXSRBBSW-UHFFFAOYSA-N 2 2 299.418 3.295 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccoc1C ZINC000414443959 380239508 /nfs/dbraw/zinc/23/95/08/380239508.db2.gz OQXZFGDTVUDIQB-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccoc1C ZINC000414443959 380239510 /nfs/dbraw/zinc/23/95/10/380239510.db2.gz OQXZFGDTVUDIQB-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643501091 380323496 /nfs/dbraw/zinc/32/34/96/380323496.db2.gz SWDSIEDQAPESLE-CJNGLKHVSA-N 2 2 258.409 3.141 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCCC[NH2+]3)oc21 ZINC000643501645 380324900 /nfs/dbraw/zinc/32/49/00/380324900.db2.gz NBQUWJUPUJIYSJ-TZMCWYRMSA-N 2 2 288.391 3.234 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501923 380325294 /nfs/dbraw/zinc/32/52/94/380325294.db2.gz STDGPQHNOATVFN-DZGCQCFKSA-N 2 2 294.826 3.285 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2sccc21 ZINC000643502858 380326538 /nfs/dbraw/zinc/32/65/38/380326538.db2.gz UBCARZLDDMCORL-BZPMIXESSA-N 2 2 264.438 3.418 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccoc1 ZINC000643507703 380329985 /nfs/dbraw/zinc/32/99/85/380329985.db2.gz NDVWLIFMYCLFTG-HNNXBMFYSA-N 2 2 250.386 3.099 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)cc1 ZINC000643507527 380330762 /nfs/dbraw/zinc/33/07/62/380330762.db2.gz HLKMVRDNHJSYDO-KRWDZBQOSA-N 2 2 258.409 3.178 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508827 380331556 /nfs/dbraw/zinc/33/15/56/380331556.db2.gz AJYDTGHTSFGGBP-YOEHRIQHSA-N 2 2 284.403 3.354 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643508845 380332398 /nfs/dbraw/zinc/33/23/98/380332398.db2.gz IDCDSPFAEJSMST-IRXDYDNUSA-N 2 2 288.341 3.242 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000414696676 380378237 /nfs/dbraw/zinc/37/82/37/380378237.db2.gz BGROBNOWLMKHPH-OAHLLOKOSA-N 2 2 292.492 3.489 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000414696676 380378244 /nfs/dbraw/zinc/37/82/44/380378244.db2.gz BGROBNOWLMKHPH-OAHLLOKOSA-N 2 2 292.492 3.489 20 0 CGADLP Cc1cccc([C@@H]2CC[N@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000414739987 380391003 /nfs/dbraw/zinc/39/10/03/380391003.db2.gz CSBWYIZFSUYFDQ-MRXNPFEDSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1cccc([C@@H]2CC[N@@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000414739987 380391004 /nfs/dbraw/zinc/39/10/04/380391004.db2.gz CSBWYIZFSUYFDQ-MRXNPFEDSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOc2cccc(F)c2)c[nH+]1 ZINC000354145909 380344411 /nfs/dbraw/zinc/34/44/11/380344411.db2.gz IMLVITCRVZUBNE-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000643528839 380345489 /nfs/dbraw/zinc/34/54/89/380345489.db2.gz QBDQYZJXHOUQEE-RITPCOANSA-N 2 2 253.198 3.053 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000643529093 380346661 /nfs/dbraw/zinc/34/66/61/380346661.db2.gz VEISOPLOXKSUMM-HTRCEHHLSA-N 2 2 279.236 3.369 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCCC2)cc1 ZINC000643537997 380355774 /nfs/dbraw/zinc/35/57/74/380355774.db2.gz WJXCEWNVXVBRJT-YESZJQIVSA-N 2 2 294.389 3.347 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414819784 380429408 /nfs/dbraw/zinc/42/94/08/380429408.db2.gz ZQYVMXTVYDLCBD-LLVKDONJSA-N 2 2 295.477 3.479 20 0 CGADLP c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000414822212 380431639 /nfs/dbraw/zinc/43/16/39/380431639.db2.gz CKNCNSRXBBFZHD-YIONKMFJSA-N 2 2 299.443 3.183 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000414829160 380437369 /nfs/dbraw/zinc/43/73/69/380437369.db2.gz KGTRNKZSRULKBB-OAHLLOKOSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829815 380438343 /nfs/dbraw/zinc/43/83/43/380438343.db2.gz LGHDPRINQHCTQS-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414842878 380448139 /nfs/dbraw/zinc/44/81/39/380448139.db2.gz ZSGUSJNMYBKBHD-KRWDZBQOSA-N 2 2 284.403 3.263 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1Cl ZINC000414842328 380448467 /nfs/dbraw/zinc/44/84/67/380448467.db2.gz YYYSSLCOZNEERJ-INIZCTEOSA-N 2 2 274.795 3.438 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c[nH+]1 ZINC000354328901 380401112 /nfs/dbraw/zinc/40/11/12/380401112.db2.gz JUHCXMPHKKYNSF-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c[nH+]1 ZINC000354328901 380401123 /nfs/dbraw/zinc/40/11/23/380401123.db2.gz JUHCXMPHKKYNSF-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)c[nH+]1 ZINC000354353425 380409659 /nfs/dbraw/zinc/40/96/59/380409659.db2.gz UKVGIISXUVOQLB-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cc(F)ccc2F)c[nH+]1 ZINC000354351460 380409986 /nfs/dbraw/zinc/40/99/86/380409986.db2.gz LNNYZTPHIKUVHJ-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2F)o1)C1(C[NH3+])CCC1 ZINC000414797915 380411092 /nfs/dbraw/zinc/41/10/92/380411092.db2.gz YZFSJWRXAARQJF-UHFFFAOYSA-N 2 2 288.366 3.399 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)C1(C[NH3+])CCC1 ZINC000414797915 380411095 /nfs/dbraw/zinc/41/10/95/380411095.db2.gz YZFSJWRXAARQJF-UHFFFAOYSA-N 2 2 288.366 3.399 20 0 CGADLP CCCn1c(C[NH2+]CC([NH3+])(CC)CC)nc2ccccc21 ZINC000414800766 380413289 /nfs/dbraw/zinc/41/32/89/380413289.db2.gz IPWJIALFPHOWLO-UHFFFAOYSA-N 2 2 288.439 3.053 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1csc(Cl)c1Cl ZINC000414803888 380416680 /nfs/dbraw/zinc/41/66/80/380416680.db2.gz WZXLVZCOMXJNLQ-MRVPVSSYSA-N 2 2 267.225 3.128 20 0 CGADLP Cc1ccc(CCCNc2ccc(N3CCCC3)[nH+]c2)c[nH+]1 ZINC000354561345 380485379 /nfs/dbraw/zinc/48/53/79/380485379.db2.gz BIZPPAKNPJBRLX-UHFFFAOYSA-N 2 2 296.418 3.430 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414939984 380498416 /nfs/dbraw/zinc/49/84/16/380498416.db2.gz GCAYHNOSUNKKLX-GDBMZVCRSA-N 2 2 276.424 3.096 20 0 CGADLP CC(C)c1ncc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000414939610 380498531 /nfs/dbraw/zinc/49/85/31/380498531.db2.gz ZUOVYRUMXLLYHX-ZDUSSCGKSA-N 2 2 281.469 3.134 20 0 CGADLP CC1([NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000414943601 380500000 /nfs/dbraw/zinc/50/00/00/380500000.db2.gz NZADZHIIRBIEFK-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP CCc1cnc(C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000354512206 380463685 /nfs/dbraw/zinc/46/36/85/380463685.db2.gz XDGSMHJNICZNAN-UHFFFAOYSA-N 2 2 275.421 3.131 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889260 380476184 /nfs/dbraw/zinc/47/61/84/380476184.db2.gz LGEWDXVYTSLVNV-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccoc1 ZINC000279120221 194292128 /nfs/dbraw/zinc/29/21/28/194292128.db2.gz XDGCVIISQVSZCI-MRXNPFEDSA-N 2 2 264.413 3.441 20 0 CGADLP Cc1ccc(CCC[NH2+]C2Cc3ccccc3C2)c[nH+]1 ZINC000354674530 380523501 /nfs/dbraw/zinc/52/35/01/380523501.db2.gz ZHILMDJMIRSIDK-UHFFFAOYSA-N 2 2 266.388 3.080 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@@H](C)Cn3cc[nH+]c3)c2c1 ZINC000645120237 380588934 /nfs/dbraw/zinc/58/89/34/380588934.db2.gz XRHUEYIHMJDZCX-ZDUSSCGKSA-N 2 2 266.348 3.240 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000645416181 380675209 /nfs/dbraw/zinc/67/52/09/380675209.db2.gz MNGZBZPCPNWSGN-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000417808181 380678691 /nfs/dbraw/zinc/67/86/91/380678691.db2.gz JFNGIHZCRHBGNF-UKRRQHHQSA-N 2 2 273.380 3.469 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000417808181 380678694 /nfs/dbraw/zinc/67/86/94/380678694.db2.gz JFNGIHZCRHBGNF-UKRRQHHQSA-N 2 2 273.380 3.469 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417866775 380685134 /nfs/dbraw/zinc/68/51/34/380685134.db2.gz IZFJZRFXQGWMAQ-SZMVWBNQSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417866775 380685139 /nfs/dbraw/zinc/68/51/39/380685139.db2.gz IZFJZRFXQGWMAQ-SZMVWBNQSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC[C@H](C)C3)n2c1 ZINC000355592725 380721616 /nfs/dbraw/zinc/72/16/16/380721616.db2.gz BJVJQRAANSWOHR-JSGCOSHPSA-N 2 2 257.381 3.169 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000355596359 380723099 /nfs/dbraw/zinc/72/30/99/380723099.db2.gz CQIWNGCEUUEZSX-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000355596359 380723103 /nfs/dbraw/zinc/72/31/03/380723103.db2.gz CQIWNGCEUUEZSX-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355600906 380724433 /nfs/dbraw/zinc/72/44/33/380724433.db2.gz RENSGLGPSIXCSB-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP Clc1ccccc1C1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000645977463 380789392 /nfs/dbraw/zinc/78/93/92/380789392.db2.gz ACHPDLFPIAZVCP-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646052320 380813924 /nfs/dbraw/zinc/81/39/24/380813924.db2.gz LHFCVSKPYMSUQD-GDBMZVCRSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000646052320 380813927 /nfs/dbraw/zinc/81/39/27/380813927.db2.gz LHFCVSKPYMSUQD-GDBMZVCRSA-N 2 2 275.440 3.111 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000356676780 380820839 /nfs/dbraw/zinc/82/08/39/380820839.db2.gz CRXQOLXTIVIJTM-ZACQAIPSSA-N 2 2 270.420 3.149 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000356676780 380820848 /nfs/dbraw/zinc/82/08/48/380820848.db2.gz CRXQOLXTIVIJTM-ZACQAIPSSA-N 2 2 270.420 3.149 20 0 CGADLP CC[C@@H](CSC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356901862 380928582 /nfs/dbraw/zinc/92/85/82/380928582.db2.gz QDQGCMJYYIYYGU-NSHDSACASA-N 2 2 298.418 3.134 20 0 CGADLP CC(C)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356836395 380893496 /nfs/dbraw/zinc/89/34/96/380893496.db2.gz HJBIFLJZKXCZDT-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP CC[C@@H]1C[NH+](CCCc2ccc(C)[nH+]c2)C[C@@H](CC)O1 ZINC000421385482 380930522 /nfs/dbraw/zinc/93/05/22/380930522.db2.gz GNEWEIACVKFYDM-IAGOWNOFSA-N 2 2 276.424 3.212 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+](CC)CC ZINC000356844337 380899385 /nfs/dbraw/zinc/89/93/85/380899385.db2.gz MJMUUYRTIOPKAG-CQSZACIVSA-N 2 2 263.429 3.027 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCOC1 ZINC000356852977 380900970 /nfs/dbraw/zinc/90/09/70/380900970.db2.gz RVWYLNGOIGWSIY-ZMSDIMECSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1ccc2nc(C[NH2+]CCCc3ccc(C)[nH+]c3)cn2c1 ZINC000356950740 380952247 /nfs/dbraw/zinc/95/22/47/380952247.db2.gz PQNKFVMPBVJTEP-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccn1 ZINC000358308011 381303250 /nfs/dbraw/zinc/30/32/50/381303250.db2.gz XOXNSEOBOKYEHL-VYDXJSESSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000358308011 381303259 /nfs/dbraw/zinc/30/32/59/381303259.db2.gz XOXNSEOBOKYEHL-VYDXJSESSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H]1CCC[NH+](CC[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000358926315 381329840 /nfs/dbraw/zinc/32/98/40/381329840.db2.gz PPKRAOAQKSDURO-HOTGVXAUSA-N 2 2 252.446 3.230 20 0 CGADLP C[C@H]1CCC[NH+](CC[N@@H+]2CCC[C@H](C)CC2)CC1 ZINC000358926315 381329847 /nfs/dbraw/zinc/32/98/47/381329847.db2.gz PPKRAOAQKSDURO-HOTGVXAUSA-N 2 2 252.446 3.230 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000359465915 381347976 /nfs/dbraw/zinc/34/79/76/381347976.db2.gz LDNPAJXAYBFCAL-JYJNAYRXSA-N 2 2 273.424 3.232 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359975397 381395083 /nfs/dbraw/zinc/39/50/83/381395083.db2.gz KKHZBDIKIUICMH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359975397 381395087 /nfs/dbraw/zinc/39/50/87/381395087.db2.gz KKHZBDIKIUICMH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C)c1F ZINC000360054034 381427076 /nfs/dbraw/zinc/42/70/76/381427076.db2.gz MLIHEAVBPDDTSC-KBPBESRZSA-N 2 2 275.371 3.378 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2OC)[NH+]1CCCC1 ZINC000360064529 381432833 /nfs/dbraw/zinc/43/28/33/381432833.db2.gz VARMTQBOWIUOAF-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361456635 381754630 /nfs/dbraw/zinc/75/46/30/381754630.db2.gz MCTDHLXDWXDHRJ-DGCLKSJQSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000362510247 382026052 /nfs/dbraw/zinc/02/60/52/382026052.db2.gz KZQHFLNQFVWHIK-ABAIWWIYSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000362510247 382026058 /nfs/dbraw/zinc/02/60/58/382026058.db2.gz KZQHFLNQFVWHIK-ABAIWWIYSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510247 382026063 /nfs/dbraw/zinc/02/60/63/382026063.db2.gz KZQHFLNQFVWHIK-ABAIWWIYSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510247 382026073 /nfs/dbraw/zinc/02/60/73/382026073.db2.gz KZQHFLNQFVWHIK-ABAIWWIYSA-N 2 2 284.806 3.394 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+](C)C ZINC000362924874 382150217 /nfs/dbraw/zinc/15/02/17/382150217.db2.gz QIIAHRMOBWZQKM-OAHLLOKOSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000363353836 382209775 /nfs/dbraw/zinc/20/97/75/382209775.db2.gz XHFOJMZCPXAOEX-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000363353836 382209784 /nfs/dbraw/zinc/20/97/84/382209784.db2.gz XHFOJMZCPXAOEX-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP FCC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000367757487 382357339 /nfs/dbraw/zinc/35/73/39/382357339.db2.gz USPHJGQZUJVJNO-GDBMZVCRSA-N 2 2 291.414 3.168 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000368099903 382365520 /nfs/dbraw/zinc/36/55/20/382365520.db2.gz GOJVLOMGRGNJPG-KBPBESRZSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000368099903 382365523 /nfs/dbraw/zinc/36/55/23/382365523.db2.gz GOJVLOMGRGNJPG-KBPBESRZSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000251916615 542348821 /nfs/dbraw/zinc/34/88/21/542348821.db2.gz YDEVGBJBPITMKM-TZMCWYRMSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000251916615 542348824 /nfs/dbraw/zinc/34/88/24/542348824.db2.gz YDEVGBJBPITMKM-TZMCWYRMSA-N 2 2 297.240 3.008 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250631261 542343623 /nfs/dbraw/zinc/34/36/23/542343623.db2.gz RDUMOZJBTUTBFY-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250631261 542343628 /nfs/dbraw/zinc/34/36/28/542343628.db2.gz RDUMOZJBTUTBFY-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000423353990 533006108 /nfs/dbraw/zinc/00/61/08/533006108.db2.gz CJFMERNKCTXBBT-UHIISALHSA-N 2 2 282.428 3.196 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423400380 533002746 /nfs/dbraw/zinc/00/27/46/533002746.db2.gz VEFNPSRPIBNRAT-IAQYHMDHSA-N 2 2 266.816 3.379 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000358060322 533039044 /nfs/dbraw/zinc/03/90/44/533039044.db2.gz FXCPBJWTTSILCX-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747144 220303030 /nfs/dbraw/zinc/30/30/30/220303030.db2.gz OFVSPFKXWJYBOC-KGLIPLIRSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747144 220303035 /nfs/dbraw/zinc/30/30/35/220303035.db2.gz OFVSPFKXWJYBOC-KGLIPLIRSA-N 2 2 255.365 3.103 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(C)c1O ZINC000289381878 197321803 /nfs/dbraw/zinc/32/18/03/197321803.db2.gz QDGAUPGRUDFLPW-UHFFFAOYSA-N 2 2 285.391 3.112 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289362208 197312164 /nfs/dbraw/zinc/31/21/64/197312164.db2.gz ZJDLIJIUYNQKPO-IOASZLSFSA-N 2 2 255.365 3.110 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751010 220307246 /nfs/dbraw/zinc/30/72/46/220307246.db2.gz ZNLQLGDHXNGKSZ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751010 220307250 /nfs/dbraw/zinc/30/72/50/220307250.db2.gz ZNLQLGDHXNGKSZ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751010 220307251 /nfs/dbraw/zinc/30/72/51/220307251.db2.gz ZNLQLGDHXNGKSZ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751010 220307254 /nfs/dbraw/zinc/30/72/54/220307254.db2.gz ZNLQLGDHXNGKSZ-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125024489 285130947 /nfs/dbraw/zinc/13/09/47/285130947.db2.gz IZXDNHCPDMDREG-SJLPKXTDSA-N 2 2 290.451 3.147 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccccc1C ZINC000289277032 197283142 /nfs/dbraw/zinc/28/31/42/197283142.db2.gz OFFXCFJIONJNQN-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP Cc1ccc(CCCNc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000353826319 220353112 /nfs/dbraw/zinc/35/31/12/220353112.db2.gz FFAWLVCGTVQBCJ-UHFFFAOYSA-N 2 2 283.419 3.496 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000353839127 220358812 /nfs/dbraw/zinc/35/88/12/220358812.db2.gz CQYQWIWXCKRFJQ-DYVFJYSZSA-N 2 2 276.399 3.301 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000289058715 197223519 /nfs/dbraw/zinc/22/35/19/197223519.db2.gz IXFJXAWAQCHKLD-QGZVFWFLSA-N 2 2 269.392 3.488 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000289058715 197223520 /nfs/dbraw/zinc/22/35/20/197223520.db2.gz IXFJXAWAQCHKLD-QGZVFWFLSA-N 2 2 269.392 3.488 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000436231761 285205705 /nfs/dbraw/zinc/20/57/05/285205705.db2.gz LQBSXLFBMOWEGS-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000436231761 285205706 /nfs/dbraw/zinc/20/57/06/285205706.db2.gz LQBSXLFBMOWEGS-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP Cc1cccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354133265 220569403 /nfs/dbraw/zinc/56/94/03/220569403.db2.gz CCMBCJRMKRCDLN-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP COc1cc[nH+]cc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000288449479 197081629 /nfs/dbraw/zinc/08/16/29/197081629.db2.gz FPFHGWGFEBGEGW-UHFFFAOYSA-N 2 2 267.332 3.105 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000298041327 542410425 /nfs/dbraw/zinc/41/04/25/542410425.db2.gz HHFIOGXWADGWSP-OAHLLOKOSA-N 2 2 271.408 3.434 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccccc1 ZINC000298041327 542410426 /nfs/dbraw/zinc/41/04/26/542410426.db2.gz HHFIOGXWADGWSP-OAHLLOKOSA-N 2 2 271.408 3.434 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354561718 542563862 /nfs/dbraw/zinc/56/38/62/542563862.db2.gz DXLRSHQEAFHYGA-HSBZDZAISA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208382 542562575 /nfs/dbraw/zinc/56/25/75/542562575.db2.gz GPMOXISCCWUBDI-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208382 542562578 /nfs/dbraw/zinc/56/25/78/542562578.db2.gz GPMOXISCCWUBDI-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1C[C@H]1C ZINC000414079194 533390631 /nfs/dbraw/zinc/39/06/31/533390631.db2.gz SOVBFPGQACPFPL-UPJWGTAASA-N 2 2 257.381 3.130 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414095281 533338907 /nfs/dbraw/zinc/33/89/07/533338907.db2.gz HHIOEIGTPONADM-BSXFFOKHSA-N 2 2 287.451 3.241 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423313093 533412952 /nfs/dbraw/zinc/41/29/52/533412952.db2.gz FANDNKQZKOLECZ-AMIZOPFISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103681 533527687 /nfs/dbraw/zinc/52/76/87/533527687.db2.gz XWTCFCWAVVSSMQ-OJLVUWQFSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103681 533527692 /nfs/dbraw/zinc/52/76/92/533527692.db2.gz XWTCFCWAVVSSMQ-OJLVUWQFSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414192051 533548302 /nfs/dbraw/zinc/54/83/02/533548302.db2.gz LUWUFRXVJBYHBK-OZVIIMIRSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414192051 533548305 /nfs/dbraw/zinc/54/83/05/533548305.db2.gz LUWUFRXVJBYHBK-OZVIIMIRSA-N 2 2 278.827 3.473 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000449019500 533653075 /nfs/dbraw/zinc/65/30/75/533653075.db2.gz MYRKLVJVHYIQAK-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229792 542606663 /nfs/dbraw/zinc/60/66/63/542606663.db2.gz IGTMHMXVZWJCEV-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229792 542606667 /nfs/dbraw/zinc/60/66/67/542606667.db2.gz IGTMHMXVZWJCEV-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCOc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000032130185 391967215 /nfs/dbraw/zinc/96/72/15/391967215.db2.gz LIMHGYJCOMUFBR-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CCOc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000032130185 391967223 /nfs/dbraw/zinc/96/72/23/391967223.db2.gz LIMHGYJCOMUFBR-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP C[N@H+](CC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000049592540 392054091 /nfs/dbraw/zinc/05/40/91/392054091.db2.gz LHJPORSTCXSESO-UHFFFAOYSA-N 2 2 260.425 3.431 20 0 CGADLP C[N@@H+](CC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000049592540 392054095 /nfs/dbraw/zinc/05/40/95/392054095.db2.gz LHJPORSTCXSESO-UHFFFAOYSA-N 2 2 260.425 3.431 20 0 CGADLP C[C@H](CC[NH+](C)Cc1ccoc1)[N@@H+](C)Cc1ccoc1 ZINC000431603430 542653178 /nfs/dbraw/zinc/65/31/78/542653178.db2.gz JCGVAAPDEFAIKY-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361768290 392318651 /nfs/dbraw/zinc/31/86/51/392318651.db2.gz RCSYPHYYLDIOKT-OBJOEFQTSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361768290 392318653 /nfs/dbraw/zinc/31/86/53/392318653.db2.gz RCSYPHYYLDIOKT-OBJOEFQTSA-N 2 2 296.842 3.482 20 0 CGADLP C[C@H](CC[N@H+](C)Cc1ccoc1)[NH+](C)Cc1ccoc1 ZINC000431603430 542653169 /nfs/dbraw/zinc/65/31/69/542653169.db2.gz JCGVAAPDEFAIKY-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](CC[N@@H+](C)Cc1ccoc1)[NH+](C)Cc1ccoc1 ZINC000431603430 542653170 /nfs/dbraw/zinc/65/31/70/542653170.db2.gz JCGVAAPDEFAIKY-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](CC[NH+](C)Cc1ccoc1)[N@H+](C)Cc1ccoc1 ZINC000431603430 542653174 /nfs/dbraw/zinc/65/31/74/542653174.db2.gz JCGVAAPDEFAIKY-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361812990 392331543 /nfs/dbraw/zinc/33/15/43/392331543.db2.gz NTVPVLLYQSZNEA-SMDDNHRTSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361812990 392331549 /nfs/dbraw/zinc/33/15/49/392331549.db2.gz NTVPVLLYQSZNEA-SMDDNHRTSA-N 2 2 282.428 3.120 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000436200193 542658086 /nfs/dbraw/zinc/65/80/86/542658086.db2.gz WNKQWIUQISMOGI-CYBMUJFWSA-N 2 2 287.407 3.386 20 0 CGADLP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)c1[nH]cc[nH+]1 ZINC000453310369 542680622 /nfs/dbraw/zinc/68/06/22/542680622.db2.gz ZCOWYUULPUPRJV-HNNXBMFYSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1[nH]cc[nH+]1 ZINC000453310369 542680626 /nfs/dbraw/zinc/68/06/26/542680626.db2.gz ZCOWYUULPUPRJV-HNNXBMFYSA-N 2 2 298.434 3.115 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C)cc1 ZINC000361965824 392376378 /nfs/dbraw/zinc/37/63/78/392376378.db2.gz ISZBRQZCAAWTBN-DLBZAZTESA-N 2 2 292.492 3.473 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000361973373 392378665 /nfs/dbraw/zinc/37/86/65/392378665.db2.gz WVXDWZTYWCLFDP-CVEARBPZSA-N 2 2 296.455 3.304 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361968009 392378872 /nfs/dbraw/zinc/37/88/72/392378872.db2.gz YDXDRSSGAWMEDN-IAGOWNOFSA-N 2 2 290.476 3.009 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361972952 392379253 /nfs/dbraw/zinc/37/92/53/392379253.db2.gz VDJJYHVVEVBVET-ZBFHGGJFSA-N 2 2 278.465 3.083 20 0 CGADLP CC(C)C(C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000367069324 392466735 /nfs/dbraw/zinc/46/67/35/392466735.db2.gz VEAFTPCSXNPKLG-UHFFFAOYSA-N 2 2 286.423 3.285 20 0 CGADLP COCC1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000291104618 392457144 /nfs/dbraw/zinc/45/71/44/392457144.db2.gz JRTQADJDVSFZOI-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccnc2C)[nH+]1 ZINC000362084629 392401678 /nfs/dbraw/zinc/40/16/78/392401678.db2.gz DPKLNDLKNRVZAW-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccnc2C)[nH+]1 ZINC000362084629 392401683 /nfs/dbraw/zinc/40/16/83/392401683.db2.gz DPKLNDLKNRVZAW-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000154519441 392535097 /nfs/dbraw/zinc/53/50/97/392535097.db2.gz JZLCRPVGZYNPRU-UKRRQHHQSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000154519441 392535100 /nfs/dbraw/zinc/53/51/00/392535100.db2.gz JZLCRPVGZYNPRU-UKRRQHHQSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cncc(F)c1 ZINC000152255894 392502668 /nfs/dbraw/zinc/50/26/68/392502668.db2.gz DLBWLYCGJXPJAV-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000297578329 392567976 /nfs/dbraw/zinc/56/79/76/392567976.db2.gz GYYWIEFMHLLJCS-ZLDLUXBVSA-N 2 2 264.438 3.414 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000297578329 392567980 /nfs/dbraw/zinc/56/79/80/392567980.db2.gz GYYWIEFMHLLJCS-ZLDLUXBVSA-N 2 2 264.438 3.414 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878471 392577654 /nfs/dbraw/zinc/57/76/54/392577654.db2.gz OZZPMIMWXRIPFB-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878471 392577661 /nfs/dbraw/zinc/57/76/61/392577661.db2.gz OZZPMIMWXRIPFB-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878471 392577665 /nfs/dbraw/zinc/57/76/65/392577665.db2.gz OZZPMIMWXRIPFB-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878471 392577669 /nfs/dbraw/zinc/57/76/69/392577669.db2.gz OZZPMIMWXRIPFB-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000158911459 392579386 /nfs/dbraw/zinc/57/93/86/392579386.db2.gz QLXMVDVZOXWQMV-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000158911459 392579390 /nfs/dbraw/zinc/57/93/90/392579390.db2.gz QLXMVDVZOXWQMV-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)nc(C(C)C)[nH+]1 ZINC000301064189 392584586 /nfs/dbraw/zinc/58/45/86/392584586.db2.gz HWMMHJWVZIKUNS-UHFFFAOYSA-N 2 2 295.390 3.439 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000647288459 392639587 /nfs/dbraw/zinc/63/95/87/392639587.db2.gz DZZHYBAGKNQBNW-ZWKOTPCHSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000647288459 392639593 /nfs/dbraw/zinc/63/95/93/392639593.db2.gz DZZHYBAGKNQBNW-ZWKOTPCHSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647291417 392642913 /nfs/dbraw/zinc/64/29/13/392642913.db2.gz OIBAUFQELNKHIZ-ZVZYQTTQSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000647291417 392642920 /nfs/dbraw/zinc/64/29/20/392642920.db2.gz OIBAUFQELNKHIZ-ZVZYQTTQSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccncc1 ZINC000647303056 392652157 /nfs/dbraw/zinc/65/21/57/392652157.db2.gz HQQPDIUSCOAREA-KRWDZBQOSA-N 2 2 298.434 3.491 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1C ZINC000647553606 392767379 /nfs/dbraw/zinc/76/73/79/392767379.db2.gz DZGSOCCBMVVCDX-MRXNPFEDSA-N 2 2 258.409 3.068 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000181738641 392735504 /nfs/dbraw/zinc/73/55/04/392735504.db2.gz JQXSZBSHFXRXTE-ZBFHGGJFSA-N 2 2 271.408 3.435 20 0 CGADLP c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488741 392738829 /nfs/dbraw/zinc/73/88/29/392738829.db2.gz PQGIHIXALSXRBW-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488741 392738832 /nfs/dbraw/zinc/73/88/32/392738832.db2.gz PQGIHIXALSXRBW-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000647534960 392756239 /nfs/dbraw/zinc/75/62/39/392756239.db2.gz ZHRSMRYBFJVATC-XJKCOSOUSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000647534960 392756246 /nfs/dbraw/zinc/75/62/46/392756246.db2.gz ZHRSMRYBFJVATC-XJKCOSOUSA-N 2 2 278.827 3.127 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000647364778 392708657 /nfs/dbraw/zinc/70/86/57/392708657.db2.gz MCTSHCNCGAOLMA-OAHLLOKOSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H]4C[C@]43C)cn21 ZINC000647364023 392708743 /nfs/dbraw/zinc/70/87/43/392708743.db2.gz QFLPPTNLCSKFEA-YXJHDRRASA-N 2 2 283.419 3.354 20 0 CGADLP CO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000375455648 392783554 /nfs/dbraw/zinc/78/35/54/392783554.db2.gz CKPVYLTUSWEWGW-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000375455648 392783560 /nfs/dbraw/zinc/78/35/60/392783560.db2.gz CKPVYLTUSWEWGW-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccc(C2([NH2+][C@H](C)[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000647804297 392805310 /nfs/dbraw/zinc/80/53/10/392805310.db2.gz NOFKRDXNUJMABJ-GDBMZVCRSA-N 2 2 258.409 3.104 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510682212 392808278 /nfs/dbraw/zinc/80/82/78/392808278.db2.gz CNXIWPMGETWCTJ-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510682212 392808284 /nfs/dbraw/zinc/80/82/84/392808284.db2.gz CNXIWPMGETWCTJ-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510714500 392811333 /nfs/dbraw/zinc/81/13/33/392811333.db2.gz CQOFORXXJJNKSP-BZUAXINKSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510714500 392811335 /nfs/dbraw/zinc/81/13/35/392811335.db2.gz CQOFORXXJJNKSP-BZUAXINKSA-N 2 2 270.436 3.369 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572300 392903634 /nfs/dbraw/zinc/90/36/34/392903634.db2.gz UMWDTWOUHONQAW-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572300 392903635 /nfs/dbraw/zinc/90/36/35/392903635.db2.gz UMWDTWOUHONQAW-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572300 392903640 /nfs/dbraw/zinc/90/36/40/392903640.db2.gz UMWDTWOUHONQAW-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000380572300 392903642 /nfs/dbraw/zinc/90/36/42/392903642.db2.gz UMWDTWOUHONQAW-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381508894 392909679 /nfs/dbraw/zinc/90/96/79/392909679.db2.gz KMJDLUNXODIBSL-WMUVLYSMSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381508894 392909683 /nfs/dbraw/zinc/90/96/83/392909683.db2.gz KMJDLUNXODIBSL-WMUVLYSMSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000337382743 392882463 /nfs/dbraw/zinc/88/24/63/392882463.db2.gz FPLKXWDVAIYXKU-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000337382743 392882471 /nfs/dbraw/zinc/88/24/71/392882471.db2.gz FPLKXWDVAIYXKU-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000339292800 392953513 /nfs/dbraw/zinc/95/35/13/392953513.db2.gz AONMHSLLNIKYNL-SWLSCSKDSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000339292800 392953515 /nfs/dbraw/zinc/95/35/15/392953515.db2.gz AONMHSLLNIKYNL-SWLSCSKDSA-N 2 2 278.827 3.363 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000340166429 392966037 /nfs/dbraw/zinc/96/60/37/392966037.db2.gz PIDKVQUOOSXDRL-ROUUACIJSA-N 2 2 281.403 3.007 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000340166429 392966045 /nfs/dbraw/zinc/96/60/45/392966045.db2.gz PIDKVQUOOSXDRL-ROUUACIJSA-N 2 2 281.403 3.007 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2)C[C@H]1c1ccccc1 ZINC000340198283 392967338 /nfs/dbraw/zinc/96/73/38/392967338.db2.gz JPEBPQAPNXFWQQ-SJORKVTESA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2)C[C@H]1c1ccccc1 ZINC000340198283 392967345 /nfs/dbraw/zinc/96/73/45/392967345.db2.gz JPEBPQAPNXFWQQ-SJORKVTESA-N 2 2 270.376 3.205 20 0 CGADLP CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342695114 393005070 /nfs/dbraw/zinc/00/50/70/393005070.db2.gz WNJYOBHIMPFACI-AWEZNQCLSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342695114 393005076 /nfs/dbraw/zinc/00/50/76/393005076.db2.gz WNJYOBHIMPFACI-AWEZNQCLSA-N 2 2 257.381 3.345 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000221142829 393005950 /nfs/dbraw/zinc/00/59/50/393005950.db2.gz NTNHZWDARJQPRJ-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000221142829 393005954 /nfs/dbraw/zinc/00/59/54/393005954.db2.gz NTNHZWDARJQPRJ-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399976 393027876 /nfs/dbraw/zinc/02/78/76/393027876.db2.gz ANQYCKVZUGSUFY-YFHUEUNASA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399976 393027881 /nfs/dbraw/zinc/02/78/81/393027881.db2.gz ANQYCKVZUGSUFY-YFHUEUNASA-N 2 2 272.436 3.171 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415040098 393109343 /nfs/dbraw/zinc/10/93/43/393109343.db2.gz JUYRDSJHZRWJLX-RBUKOAKNSA-N 2 2 280.415 3.094 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415024225 393101523 /nfs/dbraw/zinc/10/15/23/393101523.db2.gz YKTQMVTYOWFKEW-KGLIPLIRSA-N 2 2 284.403 3.188 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414953305 393061431 /nfs/dbraw/zinc/06/14/31/393061431.db2.gz LOQFWVCJWCHNFR-CZUORRHYSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414953303 393061500 /nfs/dbraw/zinc/06/15/00/393061500.db2.gz LOQFWVCJWCHNFR-CJNGLKHVSA-N 2 2 270.376 3.177 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c2ccccc2oc1CC ZINC000414961156 393066445 /nfs/dbraw/zinc/06/64/45/393066445.db2.gz ROKGMQZEZCFQCV-GFCCVEGCSA-N 2 2 260.381 3.083 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414963715 393068608 /nfs/dbraw/zinc/06/86/08/393068608.db2.gz ULUKHYUQGVATHC-SECBINFHSA-N 2 2 261.196 3.081 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414972690 393073927 /nfs/dbraw/zinc/07/39/27/393073927.db2.gz BIDIFSOQKMXBPK-JTQLQIEISA-N 2 2 280.721 3.186 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415059466 393119378 /nfs/dbraw/zinc/11/93/78/393119378.db2.gz WYWZYVHANVZOBS-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415059466 393119384 /nfs/dbraw/zinc/11/93/84/393119384.db2.gz WYWZYVHANVZOBS-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(C)ccc1OC ZINC000415063470 393124431 /nfs/dbraw/zinc/12/44/31/393124431.db2.gz IFFHXZVCEAGCRY-SFHVURJKSA-N 2 2 298.430 3.356 20 0 CGADLP c1csc(-c2ncc(C[NH2+][C@@H]3CCCC[NH2+]C3)s2)c1 ZINC000415065503 393124733 /nfs/dbraw/zinc/12/47/33/393124733.db2.gz GKFJRDIXSVIOQL-LLVKDONJSA-N 2 2 293.461 3.103 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(C)s1 ZINC000415072283 393129557 /nfs/dbraw/zinc/12/95/57/393129557.db2.gz XSVGDZBDDKHQMH-MRXNPFEDSA-N 2 2 274.433 3.409 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415091544 393143417 /nfs/dbraw/zinc/14/34/17/393143417.db2.gz QRWXQOFVFZIHTQ-IBGZPJMESA-N 2 2 296.414 3.126 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415115124 393148861 /nfs/dbraw/zinc/14/88/61/393148861.db2.gz UIMJCAUKMLRFQV-UONOGXRCSA-N 2 2 264.413 3.028 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000415123511 393150729 /nfs/dbraw/zinc/15/07/29/393150729.db2.gz NDTDLOXWMICNBX-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000415123511 393150734 /nfs/dbraw/zinc/15/07/34/393150734.db2.gz NDTDLOXWMICNBX-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000469803262 393218124 /nfs/dbraw/zinc/21/81/24/393218124.db2.gz YDYLNFRFEPRKSM-MAUKXSAKSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCS1 ZINC000628339202 393219269 /nfs/dbraw/zinc/21/92/69/393219269.db2.gz ICCGURGJVMINMV-GDBMZVCRSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCCS1 ZINC000628339202 393219277 /nfs/dbraw/zinc/21/92/77/393219277.db2.gz ICCGURGJVMINMV-GDBMZVCRSA-N 2 2 282.497 3.269 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000269063220 393223688 /nfs/dbraw/zinc/22/36/88/393223688.db2.gz YFPVZPWSSFZIKI-XHDPSFHLSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000269063220 393223692 /nfs/dbraw/zinc/22/36/92/393223692.db2.gz YFPVZPWSSFZIKI-XHDPSFHLSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000470197485 393231365 /nfs/dbraw/zinc/23/13/65/393231365.db2.gz ITSHQJSIIQZVOA-CYBMUJFWSA-N 2 2 268.832 3.373 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000470197485 393231370 /nfs/dbraw/zinc/23/13/70/393231370.db2.gz ITSHQJSIIQZVOA-CYBMUJFWSA-N 2 2 268.832 3.373 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352811412 393209449 /nfs/dbraw/zinc/20/94/49/393209449.db2.gz ULADAGZVHVJISM-ZTFRIQLXSA-N 2 2 294.389 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352811412 393209456 /nfs/dbraw/zinc/20/94/56/393209456.db2.gz ULADAGZVHVJISM-ZTFRIQLXSA-N 2 2 294.389 3.488 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000355475958 393328497 /nfs/dbraw/zinc/32/84/97/393328497.db2.gz SLYRNLBNGFXPCE-DWQUBVKVSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000355475958 393328501 /nfs/dbraw/zinc/32/85/01/393328501.db2.gz SLYRNLBNGFXPCE-DWQUBVKVSA-N 2 2 288.410 3.418 20 0 CGADLP CSc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000356300394 393413295 /nfs/dbraw/zinc/41/32/95/393413295.db2.gz KOQGIGCJKYCZHD-UHFFFAOYSA-N 2 2 281.450 3.189 20 0 CGADLP CSc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000356300394 393413299 /nfs/dbraw/zinc/41/32/99/393413299.db2.gz KOQGIGCJKYCZHD-UHFFFAOYSA-N 2 2 281.450 3.189 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]CC3CCCCC3)cn21 ZINC000647262311 393421142 /nfs/dbraw/zinc/42/11/42/393421142.db2.gz SEHDRFLFFRQHAY-UHFFFAOYSA-N 2 2 271.408 3.355 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3C[C@@H]3C)c(C)c2)CC1 ZINC000488292445 393480363 /nfs/dbraw/zinc/48/03/63/393480363.db2.gz IUQYKMAXHRBSNP-GOEBONIOSA-N 2 2 287.451 3.205 20 0 CGADLP CCCCc1nc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000420380232 393480619 /nfs/dbraw/zinc/48/06/19/393480619.db2.gz YFSBCBWHRNMJOY-OAHLLOKOSA-N 2 2 295.496 3.483 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CCCCC1 ZINC000480090902 393434122 /nfs/dbraw/zinc/43/41/22/393434122.db2.gz VJIRVLWLSQRRRZ-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CCCCC1 ZINC000480090902 393434126 /nfs/dbraw/zinc/43/41/26/393434126.db2.gz VJIRVLWLSQRRRZ-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2C)[NH+]1CCCC1 ZINC000480794933 393436353 /nfs/dbraw/zinc/43/63/53/393436353.db2.gz LEHFYOKJBDRWGJ-YJBOKZPZSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294567 393451544 /nfs/dbraw/zinc/45/15/44/393451544.db2.gz BGIYIIYXWGEQNZ-GHMZBOCLSA-N 2 2 274.330 3.436 20 0 CGADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294567 393451546 /nfs/dbraw/zinc/45/15/46/393451546.db2.gz BGIYIIYXWGEQNZ-GHMZBOCLSA-N 2 2 274.330 3.436 20 0 CGADLP FC(F)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420304900 393457234 /nfs/dbraw/zinc/45/72/34/393457234.db2.gz OWVQRPROTDKTBJ-CQSZACIVSA-N 2 2 282.378 3.143 20 0 CGADLP FC(F)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420304900 393457238 /nfs/dbraw/zinc/45/72/38/393457238.db2.gz OWVQRPROTDKTBJ-CQSZACIVSA-N 2 2 282.378 3.143 20 0 CGADLP Cc1ccc(CC[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000420397582 393482996 /nfs/dbraw/zinc/48/29/96/393482996.db2.gz XOMAHRHDOJHJIK-RBUKOAKNSA-N 2 2 298.405 3.103 20 0 CGADLP Cc1ccc(CC[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000420397582 393482999 /nfs/dbraw/zinc/48/29/99/393482999.db2.gz XOMAHRHDOJHJIK-RBUKOAKNSA-N 2 2 298.405 3.103 20 0 CGADLP CCCC[C@@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000356532347 393475488 /nfs/dbraw/zinc/47/54/88/393475488.db2.gz UHFBYKKNPNKMGY-GFCCVEGCSA-N 2 2 269.458 3.215 20 0 CGADLP CCCC[C@@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000356532347 393475494 /nfs/dbraw/zinc/47/54/94/393475494.db2.gz UHFBYKKNPNKMGY-GFCCVEGCSA-N 2 2 269.458 3.215 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417119 393504608 /nfs/dbraw/zinc/50/46/08/393504608.db2.gz VSUWTWNCXDMMBW-KGLIPLIRSA-N 2 2 272.502 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417119 393504613 /nfs/dbraw/zinc/50/46/13/393504613.db2.gz VSUWTWNCXDMMBW-KGLIPLIRSA-N 2 2 272.502 3.228 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971159 393504835 /nfs/dbraw/zinc/50/48/35/393504835.db2.gz SZMBGQSBUHWNHW-RCCFBDPRSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971159 393504838 /nfs/dbraw/zinc/50/48/38/393504838.db2.gz SZMBGQSBUHWNHW-RCCFBDPRSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488428310 393509500 /nfs/dbraw/zinc/50/95/00/393509500.db2.gz ATICWZCYDHJOPN-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000488451804 393519911 /nfs/dbraw/zinc/51/99/11/393519911.db2.gz WJHGZNGNDRQWTJ-ZNMIVQPWSA-N 2 2 286.529 3.473 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000488451800 393520190 /nfs/dbraw/zinc/52/01/90/393520190.db2.gz WJHGZNGNDRQWTJ-RBSFLKMASA-N 2 2 286.529 3.473 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@@H+]1C1CC1 ZINC000491388506 393684947 /nfs/dbraw/zinc/68/49/47/393684947.db2.gz KKFULWYGLPCCKI-KSSFIOAISA-N 2 2 284.447 3.280 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@H+]1C1CC1 ZINC000491388506 393684950 /nfs/dbraw/zinc/68/49/50/393684950.db2.gz KKFULWYGLPCCKI-KSSFIOAISA-N 2 2 284.447 3.280 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917213 393645399 /nfs/dbraw/zinc/64/53/99/393645399.db2.gz FNZDPOBWNLXIRW-VCTAVGKDSA-N 2 2 268.351 3.146 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423389080 393665739 /nfs/dbraw/zinc/66/57/39/393665739.db2.gz NHUSDCXSMAKMMD-DLBZAZTESA-N 2 2 287.451 3.301 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066163 393741739 /nfs/dbraw/zinc/74/17/39/393741739.db2.gz RFKNPVSIPCJCNK-OWCLPIDISA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066163 393741740 /nfs/dbraw/zinc/74/17/40/393741740.db2.gz RFKNPVSIPCJCNK-OWCLPIDISA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]C2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000433152117 393690191 /nfs/dbraw/zinc/69/01/91/393690191.db2.gz KOZSQWOQJVNKJC-MRXNPFEDSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000491550293 393695256 /nfs/dbraw/zinc/69/52/56/393695256.db2.gz XKZRTADPYGEMPU-RDBSUJKOSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000491550293 393695261 /nfs/dbraw/zinc/69/52/61/393695261.db2.gz XKZRTADPYGEMPU-RDBSUJKOSA-N 2 2 286.410 3.417 20 0 CGADLP CSC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000433188481 393695878 /nfs/dbraw/zinc/69/58/78/393695878.db2.gz LTVPLIMTEZYIQS-UHFFFAOYSA-N 2 2 293.461 3.309 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666966085 542830122 /nfs/dbraw/zinc/83/01/22/542830122.db2.gz ITFGKSPPWQLZPE-AWEZNQCLSA-N 2 2 289.810 3.118 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000444000785 393782278 /nfs/dbraw/zinc/78/22/78/393782278.db2.gz FTLZIHAAGCRXCR-BLLLJJGKSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000444000785 393782282 /nfs/dbraw/zinc/78/22/82/393782282.db2.gz FTLZIHAAGCRXCR-BLLLJJGKSA-N 2 2 278.827 3.221 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000503930901 393908630 /nfs/dbraw/zinc/90/86/30/393908630.db2.gz UEPLAKVIHGRXJK-YRGRVCCFSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000503930901 393908634 /nfs/dbraw/zinc/90/86/34/393908634.db2.gz UEPLAKVIHGRXJK-YRGRVCCFSA-N 2 2 264.438 3.009 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC34CCC(CC3)C4)C2)[nH]1 ZINC000450566404 394019812 /nfs/dbraw/zinc/01/98/12/394019812.db2.gz LEFPGPFSZFCSRZ-NPCAHTBFSA-N 2 2 259.397 3.169 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC34CCC(CC3)C4)C2)[nH]1 ZINC000450566404 394019817 /nfs/dbraw/zinc/01/98/17/394019817.db2.gz LEFPGPFSZFCSRZ-NPCAHTBFSA-N 2 2 259.397 3.169 20 0 CGADLP C[C@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450594273 394027404 /nfs/dbraw/zinc/02/74/04/394027404.db2.gz OXDAOZXTJPJCQJ-GOEBONIOSA-N 2 2 259.397 3.266 20 0 CGADLP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450594273 394027410 /nfs/dbraw/zinc/02/74/10/394027410.db2.gz OXDAOZXTJPJCQJ-GOEBONIOSA-N 2 2 259.397 3.266 20 0 CGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453422907 394242732 /nfs/dbraw/zinc/24/27/32/394242732.db2.gz XPMDFLQBZAGUJX-BMGDILEWSA-N 2 2 299.418 3.481 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H](C2CC2)C2CCC2)[nH+]1 ZINC000453623550 394260812 /nfs/dbraw/zinc/26/08/12/394260812.db2.gz OWMNNOKGPNHNOI-INIZCTEOSA-N 2 2 255.365 3.003 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCC[C@@H]1Cc1ccccc1)CCC2 ZINC000667569084 542891008 /nfs/dbraw/zinc/89/10/08/542891008.db2.gz AGUZLTBNKUBZQV-QGZVFWFLSA-N 2 2 295.430 3.427 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)CCC2 ZINC000667569084 542891010 /nfs/dbraw/zinc/89/10/10/542891010.db2.gz AGUZLTBNKUBZQV-QGZVFWFLSA-N 2 2 295.430 3.427 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)n1C ZINC000667553193 542887841 /nfs/dbraw/zinc/88/78/41/542887841.db2.gz ILLLSSLNVAUDHL-MRXNPFEDSA-N 2 2 269.392 3.312 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)n1C ZINC000667553193 542887844 /nfs/dbraw/zinc/88/78/44/542887844.db2.gz ILLLSSLNVAUDHL-MRXNPFEDSA-N 2 2 269.392 3.312 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)n1C ZINC000667655323 542908228 /nfs/dbraw/zinc/90/82/28/542908228.db2.gz BPKMMBAAOZDJNP-LBPRGKRZSA-N 2 2 291.826 3.445 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)n1C ZINC000667655323 542908230 /nfs/dbraw/zinc/90/82/30/542908230.db2.gz BPKMMBAAOZDJNP-LBPRGKRZSA-N 2 2 291.826 3.445 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667641541 542903356 /nfs/dbraw/zinc/90/33/56/542903356.db2.gz WXRGRYRMXFOKDJ-QGZVFWFLSA-N 2 2 281.403 3.339 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667641541 542903357 /nfs/dbraw/zinc/90/33/57/542903357.db2.gz WXRGRYRMXFOKDJ-QGZVFWFLSA-N 2 2 281.403 3.339 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[nH]c2c1 ZINC000667947285 542948199 /nfs/dbraw/zinc/94/81/99/542948199.db2.gz LMRMDGORPMTWKQ-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)[nH]c2c1 ZINC000667947285 542948202 /nfs/dbraw/zinc/94/82/02/542948202.db2.gz LMRMDGORPMTWKQ-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)[nH]c2c1 ZINC000667947285 542948204 /nfs/dbraw/zinc/94/82/04/542948204.db2.gz LMRMDGORPMTWKQ-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)[nH]c2c1 ZINC000667947285 542948207 /nfs/dbraw/zinc/94/82/07/542948207.db2.gz LMRMDGORPMTWKQ-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP C[N@H+](Cc1ccc(F)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146701 542975110 /nfs/dbraw/zinc/97/51/10/542975110.db2.gz OJUIVQCVYYMVLI-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146701 542975112 /nfs/dbraw/zinc/97/51/12/542975112.db2.gz OJUIVQCVYYMVLI-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1ccc(F)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668146701 542975114 /nfs/dbraw/zinc/97/51/14/542975114.db2.gz OJUIVQCVYYMVLI-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1ccc(F)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668146701 542975116 /nfs/dbraw/zinc/97/51/16/542975116.db2.gz OJUIVQCVYYMVLI-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)[nH]c2c1 ZINC000668169208 542979813 /nfs/dbraw/zinc/97/98/13/542979813.db2.gz KZCRSZFWJRRYJN-HNNXBMFYSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)[nH]c2c1 ZINC000668169208 542979814 /nfs/dbraw/zinc/97/98/14/542979814.db2.gz KZCRSZFWJRRYJN-HNNXBMFYSA-N 2 2 294.402 3.199 20 0 CGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000668241826 542997303 /nfs/dbraw/zinc/99/73/03/542997303.db2.gz PAVCUECKVQUONB-HUUCEWRRSA-N 2 2 275.440 3.476 20 0 CGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000668241826 542997304 /nfs/dbraw/zinc/99/73/04/542997304.db2.gz PAVCUECKVQUONB-HUUCEWRRSA-N 2 2 275.440 3.476 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275195 543001053 /nfs/dbraw/zinc/00/10/53/543001053.db2.gz UYQAIRIVEPPYAI-HOCLYGCPSA-N 2 2 287.451 3.478 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275195 543001056 /nfs/dbraw/zinc/00/10/56/543001056.db2.gz UYQAIRIVEPPYAI-HOCLYGCPSA-N 2 2 287.451 3.478 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)c2ccccn2)c[nH+]1 ZINC000668437580 543013475 /nfs/dbraw/zinc/01/34/75/543013475.db2.gz KOEPJRNNICFSKU-AWEZNQCLSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458215 543015511 /nfs/dbraw/zinc/01/55/11/543015511.db2.gz CJOAFJLDYMSKSI-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458215 543015515 /nfs/dbraw/zinc/01/55/15/543015515.db2.gz CJOAFJLDYMSKSI-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H](C3CCCCC3)C1)CCC2 ZINC000668535610 543025120 /nfs/dbraw/zinc/02/51/20/543025120.db2.gz ITMOLFNWTKNGSY-OAHLLOKOSA-N 2 2 273.424 3.232 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)CCC2 ZINC000668535610 543025116 /nfs/dbraw/zinc/02/51/16/543025116.db2.gz ITMOLFNWTKNGSY-OAHLLOKOSA-N 2 2 273.424 3.232 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000668579995 543030175 /nfs/dbraw/zinc/03/01/75/543030175.db2.gz ILWQUSKMMAPEEU-YESZJQIVSA-N 2 2 258.409 3.348 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000668682692 543044139 /nfs/dbraw/zinc/04/41/39/543044139.db2.gz MKQDULLEPQATCK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000668682692 543044141 /nfs/dbraw/zinc/04/41/41/543044141.db2.gz MKQDULLEPQATCK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccsc1 ZINC000669831012 543126353 /nfs/dbraw/zinc/12/63/53/543126353.db2.gz JGVJVGAGFNCUCW-NSHDSACASA-N 2 2 257.362 3.247 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669847645 543127948 /nfs/dbraw/zinc/12/79/48/543127948.db2.gz KIQUIMHLKZCABB-BSDSXHPESA-N 2 2 295.430 3.482 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+]C3CSC3)ccc2n1C1CC1 ZINC000670272698 543151340 /nfs/dbraw/zinc/15/13/40/543151340.db2.gz OEFQMXCCXBPDOV-UHFFFAOYSA-N 2 2 287.432 3.139 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671195004 543162390 /nfs/dbraw/zinc/16/23/90/543162390.db2.gz VBVCGUNSNHYZDE-VURMDHGXSA-N 2 2 297.402 3.031 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc(C)c1 ZINC000671750226 543185856 /nfs/dbraw/zinc/18/58/56/543185856.db2.gz KXRYXRZUSBLIDF-GOSISDBHSA-N 2 2 290.451 3.147 20 0 CGADLP CCc1cc(NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)nc[nH+]1 ZINC000672324552 543208643 /nfs/dbraw/zinc/20/86/43/543208643.db2.gz XKNZTJMSGXHWRY-JSGCOSHPSA-N 2 2 288.395 3.173 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1cccc2ccccc21 ZINC000672616575 543220677 /nfs/dbraw/zinc/22/06/77/543220677.db2.gz NDQCWYWUKDNMKD-QGZVFWFLSA-N 2 2 256.393 3.442 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000045017485 397621904 /nfs/dbraw/zinc/62/19/04/397621904.db2.gz AEJRVMCJNRLXFG-RDJZCZTQSA-N 2 2 278.440 3.084 20 0 CGADLP Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000301472966 397674406 /nfs/dbraw/zinc/67/44/06/397674406.db2.gz UTIJOOXZLUTIFW-OAHLLOKOSA-N 2 2 290.455 3.219 20 0 CGADLP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000301472966 397674411 /nfs/dbraw/zinc/67/44/11/397674411.db2.gz UTIJOOXZLUTIFW-OAHLLOKOSA-N 2 2 290.455 3.219 20 0 CGADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000387735718 397690310 /nfs/dbraw/zinc/69/03/10/397690310.db2.gz OXEOISGTVIEZRS-WMLDXEAASA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000387735718 397690311 /nfs/dbraw/zinc/69/03/11/397690311.db2.gz OXEOISGTVIEZRS-WMLDXEAASA-N 2 2 299.418 3.209 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562832420 397712337 /nfs/dbraw/zinc/71/23/37/397712337.db2.gz DVUGHWUBIUPLEK-SFHVURJKSA-N 2 2 281.403 3.123 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3cc(C)c[nH+]c3C)n2c1 ZINC000650242518 397807783 /nfs/dbraw/zinc/80/77/83/397807783.db2.gz NJKJGBAHBVYEAG-UHFFFAOYSA-N 2 2 266.348 3.267 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912876 543307242 /nfs/dbraw/zinc/30/72/42/543307242.db2.gz RQGUVGAIDDKLTH-ZANVPECISA-N 2 2 273.207 3.033 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912876 543307245 /nfs/dbraw/zinc/30/72/45/543307245.db2.gz RQGUVGAIDDKLTH-ZANVPECISA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675735728 543359246 /nfs/dbraw/zinc/35/92/46/543359246.db2.gz VSKMQRUOGRHEKT-QIIPPGSGSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675735728 543359249 /nfs/dbraw/zinc/35/92/49/543359249.db2.gz VSKMQRUOGRHEKT-QIIPPGSGSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905922 543372521 /nfs/dbraw/zinc/37/25/21/543372521.db2.gz GOMGOEYLMYCLHL-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905922 543372524 /nfs/dbraw/zinc/37/25/24/543372524.db2.gz GOMGOEYLMYCLHL-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917049 543372852 /nfs/dbraw/zinc/37/28/52/543372852.db2.gz BTCWHRUDZSAABK-GDBMZVCRSA-N 2 2 271.408 3.338 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479383 543399306 /nfs/dbraw/zinc/39/93/06/543399306.db2.gz SNBOWRQNAOLIEO-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479383 543399307 /nfs/dbraw/zinc/39/93/07/543399307.db2.gz SNBOWRQNAOLIEO-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000676839523 543420836 /nfs/dbraw/zinc/42/08/36/543420836.db2.gz MIOBQUJUKXEZJT-NSHDSACASA-N 2 2 293.480 3.285 20 0 CGADLP c1cncc([C@H]([NH2+]CC[NH+]2CCCC2)C2CCCCC2)c1 ZINC000677686487 543458191 /nfs/dbraw/zinc/45/81/91/543458191.db2.gz ZLGDOOTWWXBUSZ-GOSISDBHSA-N 2 2 287.451 3.388 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000678235400 543498582 /nfs/dbraw/zinc/49/85/82/543498582.db2.gz SENJJSQJAXCCNZ-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000678235400 543498586 /nfs/dbraw/zinc/49/85/86/543498586.db2.gz SENJJSQJAXCCNZ-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nccc3ccccc32)CC[N@@H+]1C ZINC000678277531 543509204 /nfs/dbraw/zinc/50/92/04/543509204.db2.gz AGRNZRBEFUZBFW-GOEBONIOSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nccc3ccccc32)CC[N@H+]1C ZINC000678277531 543509207 /nfs/dbraw/zinc/50/92/07/543509207.db2.gz AGRNZRBEFUZBFW-GOEBONIOSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277531 543509209 /nfs/dbraw/zinc/50/92/09/543509209.db2.gz AGRNZRBEFUZBFW-GOEBONIOSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277531 543509211 /nfs/dbraw/zinc/50/92/11/543509211.db2.gz AGRNZRBEFUZBFW-GOEBONIOSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000678590034 543538574 /nfs/dbraw/zinc/53/85/74/543538574.db2.gz YSNZZMRTDFZZCW-RKVPGOIHSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000678590034 543538576 /nfs/dbraw/zinc/53/85/76/543538576.db2.gz YSNZZMRTDFZZCW-RKVPGOIHSA-N 2 2 284.447 3.006 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000678597766 543540770 /nfs/dbraw/zinc/54/07/70/543540770.db2.gz LOENXVMRYZNTEE-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000678597766 543540771 /nfs/dbraw/zinc/54/07/71/543540771.db2.gz LOENXVMRYZNTEE-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP c1cn2c(cccc2C[NH+]2C3CCCC2CCC3)[nH+]1 ZINC000678837647 543565671 /nfs/dbraw/zinc/56/56/71/543565671.db2.gz CHAWQUBNRIECJC-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000678993954 543579725 /nfs/dbraw/zinc/57/97/25/543579725.db2.gz ARBUYZJPIOFFAH-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000678993954 543579728 /nfs/dbraw/zinc/57/97/28/543579728.db2.gz ARBUYZJPIOFFAH-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP CCC[C@@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000560069810 289568886 /nfs/dbraw/zinc/56/88/86/289568886.db2.gz GNCLLLBOQQRBTB-PBHICJAKSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000042254518 286893694 /nfs/dbraw/zinc/89/36/94/286893694.db2.gz KOWYYSFVKCOWJM-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000168576118 298508556 /nfs/dbraw/zinc/50/85/56/298508556.db2.gz UYBJOGDRNFCHFK-CJNGLKHVSA-N 2 2 260.425 3.339 20 0 CGADLP c1csc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351544604 163143890 /nfs/dbraw/zinc/14/38/90/163143890.db2.gz JBHOWQSQAYYKPE-UHFFFAOYSA-N 2 2 270.361 3.000 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000080452226 165154033 /nfs/dbraw/zinc/15/40/33/165154033.db2.gz PAOKLWJNYDBUAM-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080452226 165154036 /nfs/dbraw/zinc/15/40/36/165154036.db2.gz PAOKLWJNYDBUAM-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NCCCCn2cc[nH+]c2)c1 ZINC000090803310 287104917 /nfs/dbraw/zinc/10/49/17/287104917.db2.gz ACMAAKZYYUFWOJ-UHFFFAOYSA-N 2 2 284.285 3.189 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960315 165276293 /nfs/dbraw/zinc/27/62/93/165276293.db2.gz CTZUFRAQVKBJII-GXTWGEPZSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960315 165276296 /nfs/dbraw/zinc/27/62/96/165276296.db2.gz CTZUFRAQVKBJII-GXTWGEPZSA-N 2 2 275.421 3.336 20 0 CGADLP COCc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960242 165278407 /nfs/dbraw/zinc/27/84/07/165278407.db2.gz USCOFRMBZCSPMU-YJBOKZPZSA-N 2 2 299.418 3.113 20 0 CGADLP COCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960242 165278411 /nfs/dbraw/zinc/27/84/11/165278411.db2.gz USCOFRMBZCSPMU-YJBOKZPZSA-N 2 2 299.418 3.113 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C(C)C)cc1 ZINC000091333679 287107544 /nfs/dbraw/zinc/10/75/44/287107544.db2.gz JGGCPWYYKGWJJA-KSSFIOAISA-N 2 2 290.451 3.465 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000091333679 287107547 /nfs/dbraw/zinc/10/75/47/287107547.db2.gz JGGCPWYYKGWJJA-KSSFIOAISA-N 2 2 290.451 3.465 20 0 CGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000091333707 287107701 /nfs/dbraw/zinc/10/77/01/287107701.db2.gz FOFFGZSBXNGIHL-SUMWQHHRSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000091333707 287107703 /nfs/dbraw/zinc/10/77/03/287107703.db2.gz FOFFGZSBXNGIHL-SUMWQHHRSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000430699922 287108076 /nfs/dbraw/zinc/10/80/76/287108076.db2.gz QPTRFCIDZKMYLF-ZQQZQOJVSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000430699922 287108079 /nfs/dbraw/zinc/10/80/79/287108079.db2.gz QPTRFCIDZKMYLF-ZQQZQOJVSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000430748788 287108283 /nfs/dbraw/zinc/10/82/83/287108283.db2.gz GFQGNVLGZXXRBQ-LJISPDSOSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC000092587911 165303086 /nfs/dbraw/zinc/30/30/86/165303086.db2.gz PVCGDFWYZORSDW-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC000092587911 165303087 /nfs/dbraw/zinc/30/30/87/165303087.db2.gz PVCGDFWYZORSDW-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000092587911 165303088 /nfs/dbraw/zinc/30/30/88/165303088.db2.gz PVCGDFWYZORSDW-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000092587911 165303089 /nfs/dbraw/zinc/30/30/89/165303089.db2.gz PVCGDFWYZORSDW-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338813 165350166 /nfs/dbraw/zinc/35/01/66/165350166.db2.gz SUFYYLAQZVSWIV-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338813 165350168 /nfs/dbraw/zinc/35/01/68/165350168.db2.gz SUFYYLAQZVSWIV-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1cscc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000094878347 165396312 /nfs/dbraw/zinc/39/63/12/165396312.db2.gz PUYKXEHPGGRWQU-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000122293417 287208557 /nfs/dbraw/zinc/20/85/57/287208557.db2.gz VAVZJNDKUMBZFL-JSGCOSHPSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C[N@H+]1C1CC1 ZINC000122293417 287208558 /nfs/dbraw/zinc/20/85/58/287208558.db2.gz VAVZJNDKUMBZFL-JSGCOSHPSA-N 2 2 250.430 3.170 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000123207051 287217164 /nfs/dbraw/zinc/21/71/64/287217164.db2.gz SSSUDFRHTNJELR-AWEZNQCLSA-N 2 2 272.392 3.315 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000123207051 287217165 /nfs/dbraw/zinc/21/71/65/287217165.db2.gz SSSUDFRHTNJELR-AWEZNQCLSA-N 2 2 272.392 3.315 20 0 CGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521669 171234829 /nfs/dbraw/zinc/23/48/29/171234829.db2.gz LFUGUQCCWQTWQN-AWEZNQCLSA-N 2 2 297.240 3.323 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000020828409 171275095 /nfs/dbraw/zinc/27/50/95/171275095.db2.gz DYQJPEFDMRHTQK-IBGZPJMESA-N 2 2 297.446 3.493 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)[NH+](C)C ZINC000126522103 287266957 /nfs/dbraw/zinc/26/69/57/287266957.db2.gz GJRQXJLLXJVOPD-DLBZAZTESA-N 2 2 294.870 3.373 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126532639 287266736 /nfs/dbraw/zinc/26/67/36/287266736.db2.gz SYDUCLREMCKYCM-GUYCJALGSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037167193 173001272 /nfs/dbraw/zinc/00/12/72/173001272.db2.gz JCUZKDMXNGHFKM-RDJZCZTQSA-N 2 2 292.467 3.279 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000037257486 173068757 /nfs/dbraw/zinc/06/87/57/173068757.db2.gz BXWSSVBFYPHDLU-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000037257486 173068759 /nfs/dbraw/zinc/06/87/59/173068759.db2.gz BXWSSVBFYPHDLU-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP C[NH+]1CCC(Nc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000286011049 196468828 /nfs/dbraw/zinc/46/88/28/196468828.db2.gz FCEPVVCQZYGFML-UHFFFAOYSA-N 2 2 275.783 3.394 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000040591709 174347300 /nfs/dbraw/zinc/34/73/00/174347300.db2.gz DYICYPCPEMRKBG-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000040591709 174347302 /nfs/dbraw/zinc/34/73/02/174347302.db2.gz DYICYPCPEMRKBG-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000043324639 175007139 /nfs/dbraw/zinc/00/71/39/175007139.db2.gz POPZFCWHSHRVMV-ONGXEEELSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000043326618 175007986 /nfs/dbraw/zinc/00/79/86/175007986.db2.gz HZNHITVKTOZGFM-ZWNOBZJWSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000043326557 175008138 /nfs/dbraw/zinc/00/81/38/175008138.db2.gz SLXWLJYGVXKEHR-GXFFZTMASA-N 2 2 272.314 3.108 20 0 CGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000043389668 175033768 /nfs/dbraw/zinc/03/37/68/175033768.db2.gz QYFPQDMTURRQHS-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044528008 175192754 /nfs/dbraw/zinc/19/27/54/175192754.db2.gz HJJUUKLXSVISQE-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044528008 175192755 /nfs/dbraw/zinc/19/27/55/175192755.db2.gz HJJUUKLXSVISQE-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000044539864 175201192 /nfs/dbraw/zinc/20/11/92/175201192.db2.gz PGGPXZWRCQDYTN-QGZVFWFLSA-N 2 2 254.377 3.153 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000044539864 175201193 /nfs/dbraw/zinc/20/11/93/175201193.db2.gz PGGPXZWRCQDYTN-QGZVFWFLSA-N 2 2 254.377 3.153 20 0 CGADLP Cc1cc(NCC[N@H+](C)C2CCCC2)nc(C(C)C)[nH+]1 ZINC000071377613 176142946 /nfs/dbraw/zinc/14/29/46/176142946.db2.gz ARUSZRKUWWSVGV-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1cc(NCC[N@@H+](C)C2CCCC2)nc(C(C)C)[nH+]1 ZINC000071377613 176142948 /nfs/dbraw/zinc/14/29/48/176142948.db2.gz ARUSZRKUWWSVGV-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000124517247 416507918 /nfs/dbraw/zinc/50/79/18/416507918.db2.gz FBFOMHSLJBKCOV-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000124517247 416507923 /nfs/dbraw/zinc/50/79/23/416507923.db2.gz FBFOMHSLJBKCOV-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H](CCCCO)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000679342276 543622453 /nfs/dbraw/zinc/62/24/53/543622453.db2.gz NVHFLEIKBSBJRA-HOTGVXAUSA-N 2 2 292.467 3.257 20 0 CGADLP C[C@H]([NH2+]C1(C[NH2+]C2CSC2)CCCC1)c1ccccc1 ZINC000679625282 543650675 /nfs/dbraw/zinc/65/06/75/543650675.db2.gz FRDBXCAJDNAJIM-AWEZNQCLSA-N 2 2 290.476 3.355 20 0 CGADLP C[C@@H](CCNc1cc[nH+]c(C(C)(C)C)n1)[NH+]1CCCCC1 ZINC000680072067 543683059 /nfs/dbraw/zinc/68/30/59/543683059.db2.gz AVFMJLSHUVBSKS-AWEZNQCLSA-N 2 2 290.455 3.451 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000680343122 543700905 /nfs/dbraw/zinc/70/09/05/543700905.db2.gz QYSJWAKMGBXSMP-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679985659 543672248 /nfs/dbraw/zinc/67/22/48/543672248.db2.gz GRRLISFFXVTOGY-ZFWWWQNUSA-N 2 2 275.421 3.213 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679985659 543672250 /nfs/dbraw/zinc/67/22/50/543672250.db2.gz GRRLISFFXVTOGY-ZFWWWQNUSA-N 2 2 275.421 3.213 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000680460089 543711838 /nfs/dbraw/zinc/71/18/38/543711838.db2.gz PVBJLNYFCYVBCI-MRXNPFEDSA-N 2 2 278.827 3.403 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000130663858 287360601 /nfs/dbraw/zinc/36/06/01/287360601.db2.gz VPQOXVMKRKSVLK-ZDUSSCGKSA-N 2 2 283.350 3.367 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693900 543932713 /nfs/dbraw/zinc/93/27/13/543932713.db2.gz HLRJBZICQBEBSS-GOEBONIOSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693900 543932714 /nfs/dbraw/zinc/93/27/14/543932714.db2.gz HLRJBZICQBEBSS-GOEBONIOSA-N 2 2 276.424 3.207 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000683019998 543890493 /nfs/dbraw/zinc/89/04/93/543890493.db2.gz ZBIPPRYGMIIGCT-AWEZNQCLSA-N 2 2 291.345 3.268 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000683019998 543890497 /nfs/dbraw/zinc/89/04/97/543890497.db2.gz ZBIPPRYGMIIGCT-AWEZNQCLSA-N 2 2 291.345 3.268 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)c2ccncc2)c[nH+]1 ZINC000684384066 543989909 /nfs/dbraw/zinc/98/99/09/543989909.db2.gz TYUPVSZUBSEUNV-AWEZNQCLSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([C@@H]3CCOC3)CC2)c[nH+]1 ZINC000684395636 543992974 /nfs/dbraw/zinc/99/29/74/543992974.db2.gz XYPCVJYDSPDBRS-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000536756598 288501980 /nfs/dbraw/zinc/50/19/80/288501980.db2.gz KLPWEEWMPOCPGO-CQSZACIVSA-N 2 2 275.440 3.205 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664000 544094003 /nfs/dbraw/zinc/09/40/03/544094003.db2.gz MBKJKRRPZSWWGF-HLLBOEOZSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664000 544094007 /nfs/dbraw/zinc/09/40/07/544094007.db2.gz MBKJKRRPZSWWGF-HLLBOEOZSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+](C)C ZINC000134138184 287436680 /nfs/dbraw/zinc/43/66/80/287436680.db2.gz XJZAQGYIEPXBQA-ZBFHGGJFSA-N 2 2 280.431 3.323 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccccc1F)[NH+](C)C ZINC000134138372 287436720 /nfs/dbraw/zinc/43/67/20/287436720.db2.gz XJZAQGYIEPXBQA-GDBMZVCRSA-N 2 2 280.431 3.323 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)c1nccn1C)C1CCCCC1 ZINC000652238209 418940130 /nfs/dbraw/zinc/94/01/30/418940130.db2.gz YEZMTUUGYNNONQ-OAHLLOKOSA-N 2 2 292.471 3.115 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1nccn1C)C1CCCCC1 ZINC000652238209 418940132 /nfs/dbraw/zinc/94/01/32/418940132.db2.gz YEZMTUUGYNNONQ-OAHLLOKOSA-N 2 2 292.471 3.115 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)C[N@@H+]1Cc1ccccc1 ZINC000665233233 419087288 /nfs/dbraw/zinc/08/72/88/419087288.db2.gz CCNZOYBZAOHHDJ-DNVCBOLYSA-N 2 2 295.430 3.021 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)C[N@H+]1Cc1ccccc1 ZINC000665233233 419087292 /nfs/dbraw/zinc/08/72/92/419087292.db2.gz CCNZOYBZAOHHDJ-DNVCBOLYSA-N 2 2 295.430 3.021 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+]C1CCC(C[NH3+])CC1 ZINC000665236074 419087745 /nfs/dbraw/zinc/08/77/45/419087745.db2.gz GUFMUWNHFRGCNX-UHFFFAOYSA-N 2 2 262.397 3.241 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252036 419094246 /nfs/dbraw/zinc/09/42/46/419094246.db2.gz FHRJKONYCZMMHI-KBAYOESNSA-N 2 2 296.414 3.392 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276391 419099780 /nfs/dbraw/zinc/09/97/80/419099780.db2.gz BNAUMYFIQYFOGD-SYJJWHGVSA-N 2 2 288.435 3.124 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856919 419124800 /nfs/dbraw/zinc/12/48/00/419124800.db2.gz QVVCMVMJBXVACV-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856919 419124805 /nfs/dbraw/zinc/12/48/05/419124805.db2.gz QVVCMVMJBXVACV-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665290078 419106424 /nfs/dbraw/zinc/10/64/24/419106424.db2.gz IMOZTMPTSUKMML-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665290078 419106428 /nfs/dbraw/zinc/10/64/28/419106428.db2.gz IMOZTMPTSUKMML-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665290078 419106434 /nfs/dbraw/zinc/10/64/34/419106434.db2.gz IMOZTMPTSUKMML-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665290078 419106438 /nfs/dbraw/zinc/10/64/38/419106438.db2.gz IMOZTMPTSUKMML-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000665296225 419109124 /nfs/dbraw/zinc/10/91/24/419109124.db2.gz OZWLAEHABYQFAV-WDEREUQCSA-N 2 2 288.407 3.302 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C[NH2+]C)oc21 ZINC000665296703 419110240 /nfs/dbraw/zinc/11/02/40/419110240.db2.gz WUQMGTKXVPTORJ-NEPJUHHUSA-N 2 2 276.380 3.090 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000665298479 419110496 /nfs/dbraw/zinc/11/04/96/419110496.db2.gz WVSDACIFQUXVLZ-KDOFPFPSSA-N 2 2 286.394 3.307 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000665297418 419111355 /nfs/dbraw/zinc/11/13/55/419111355.db2.gz FPAJGRUDTBUVJK-WMLDXEAASA-N 2 2 260.425 3.424 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849766 419120662 /nfs/dbraw/zinc/12/06/62/419120662.db2.gz YNQXDSZVXDLUER-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849766 419120666 /nfs/dbraw/zinc/12/06/66/419120666.db2.gz YNQXDSZVXDLUER-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856036 419122496 /nfs/dbraw/zinc/12/24/96/419122496.db2.gz LBHAIRDDIDQBNP-FLSJAXMZSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856036 419122499 /nfs/dbraw/zinc/12/24/99/419122499.db2.gz LBHAIRDDIDQBNP-FLSJAXMZSA-N 2 2 288.410 3.445 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855500 419122901 /nfs/dbraw/zinc/12/29/01/419122901.db2.gz FLOMWDPVPMBDLC-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855500 419122903 /nfs/dbraw/zinc/12/29/03/419122903.db2.gz FLOMWDPVPMBDLC-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000655856350 419123036 /nfs/dbraw/zinc/12/30/36/419123036.db2.gz MXXYNUKWELOZEO-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000655856350 419123038 /nfs/dbraw/zinc/12/30/38/419123038.db2.gz MXXYNUKWELOZEO-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP CO[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000659997259 419058762 /nfs/dbraw/zinc/05/87/62/419058762.db2.gz ASPKGKHUCWWJRF-MRXNPFEDSA-N 2 2 291.439 3.184 20 0 CGADLP c1cn(C2CC[NH+](Cc3nsc4ccccc43)CC2)c[nH+]1 ZINC000659999689 419060690 /nfs/dbraw/zinc/06/06/90/419060690.db2.gz WJKXGSYJZAEYJX-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000653673312 419068708 /nfs/dbraw/zinc/06/87/08/419068708.db2.gz SDJMJQZLEMQLJG-GDBMZVCRSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C1CC1 ZINC000653673312 419068710 /nfs/dbraw/zinc/06/87/10/419068710.db2.gz SDJMJQZLEMQLJG-GDBMZVCRSA-N 2 2 264.457 3.371 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655705105 419071573 /nfs/dbraw/zinc/07/15/73/419071573.db2.gz WAZHLWURTUVGLI-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655704003 419071858 /nfs/dbraw/zinc/07/18/58/419071858.db2.gz PBYNGYTXQZRQDY-PVAVHDDUSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708115 419072803 /nfs/dbraw/zinc/07/28/03/419072803.db2.gz DPOSIJVXTIGGQN-OKZBNKHCSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078279 419073239 /nfs/dbraw/zinc/07/32/39/419073239.db2.gz TYHJKCMUWRCBNI-NEPJUHHUSA-N 2 2 271.355 3.271 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078279 419073242 /nfs/dbraw/zinc/07/32/42/419073242.db2.gz TYHJKCMUWRCBNI-NEPJUHHUSA-N 2 2 271.355 3.271 20 0 CGADLP C[C@@H]1CC(CC[N@@H+]2CCn3c[nH+]cc3C2)C[C@@H](C)C1 ZINC000660579382 419164934 /nfs/dbraw/zinc/16/49/34/419164934.db2.gz WMSZHMHMFBPWST-KBPBESRZSA-N 2 2 261.413 3.161 20 0 CGADLP C[C@@H]1CC(CC[N@H+]2CCn3c[nH+]cc3C2)C[C@@H](C)C1 ZINC000660579382 419164936 /nfs/dbraw/zinc/16/49/36/419164936.db2.gz WMSZHMHMFBPWST-KBPBESRZSA-N 2 2 261.413 3.161 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657294629 419245077 /nfs/dbraw/zinc/24/50/77/419245077.db2.gz BTFFWTRSYXBZEI-ZDUSSCGKSA-N 2 2 285.391 3.079 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657314490 419248856 /nfs/dbraw/zinc/24/88/56/419248856.db2.gz WOAMBZANRGHFNR-CQSZACIVSA-N 2 2 299.418 3.467 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCc1csc3ccccc13)CCC2 ZINC000657333713 419252986 /nfs/dbraw/zinc/25/29/86/419252986.db2.gz VMGGGXSHYRQESG-UHFFFAOYSA-N 2 2 297.427 3.376 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657353594 419257882 /nfs/dbraw/zinc/25/78/82/419257882.db2.gz JWQQUNNNDQULQR-CQSZACIVSA-N 2 2 269.392 3.297 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)n1C ZINC000657386719 419267265 /nfs/dbraw/zinc/26/72/65/419267265.db2.gz KQVCMDBXWITLBP-AAEUAGOBSA-N 2 2 289.345 3.187 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000656677533 419198336 /nfs/dbraw/zinc/19/83/36/419198336.db2.gz ULKOUJMLBGSFCL-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000656677533 419198338 /nfs/dbraw/zinc/19/83/38/419198338.db2.gz ULKOUJMLBGSFCL-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000656784204 419218757 /nfs/dbraw/zinc/21/87/57/419218757.db2.gz ZUEZUGZZWLMRJF-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC(C)(C)[NH3+] ZINC000656784204 419218759 /nfs/dbraw/zinc/21/87/59/419218759.db2.gz ZUEZUGZZWLMRJF-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420593 419274391 /nfs/dbraw/zinc/27/43/91/419274391.db2.gz DSUDBPNHHFRMGZ-ACJLOTCBSA-N 2 2 281.403 3.243 20 0 CGADLP CC[NH+](CC)Cc1ccc(NCc2[nH]cc(C)[nH+]2)cc1 ZINC000657445006 419280725 /nfs/dbraw/zinc/28/07/25/419280725.db2.gz VPCGZXWEQLXZPZ-UHFFFAOYSA-N 2 2 272.396 3.172 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524926 419297882 /nfs/dbraw/zinc/29/78/82/419297882.db2.gz TTWINXFWSCHKCY-LBPRGKRZSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524926 419297884 /nfs/dbraw/zinc/29/78/84/419297884.db2.gz TTWINXFWSCHKCY-LBPRGKRZSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561859 419304455 /nfs/dbraw/zinc/30/44/55/419304455.db2.gz CXTMZUPKYIXSBQ-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561859 419304457 /nfs/dbraw/zinc/30/44/57/419304457.db2.gz CXTMZUPKYIXSBQ-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000657657853 419320440 /nfs/dbraw/zinc/32/04/40/419320440.db2.gz UKOLFIYXRIBOIB-HEHGZKQESA-N 2 2 287.432 3.460 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000657714387 419331639 /nfs/dbraw/zinc/33/16/39/419331639.db2.gz XRDLZQLSFDGWFN-MOIQIXESSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000657714387 419331641 /nfs/dbraw/zinc/33/16/41/419331641.db2.gz XRDLZQLSFDGWFN-MOIQIXESSA-N 2 2 270.420 3.147 20 0 CGADLP CC1(C)[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(F)F ZINC000657736911 419333921 /nfs/dbraw/zinc/33/39/21/419333921.db2.gz GWWKYPCIVYVQLT-GFCCVEGCSA-N 2 2 297.374 3.315 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000657783813 419347808 /nfs/dbraw/zinc/34/78/08/419347808.db2.gz WWAVZSWXFCDZNG-AEFFLSMTSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000657783813 419347810 /nfs/dbraw/zinc/34/78/10/419347810.db2.gz WWAVZSWXFCDZNG-AEFFLSMTSA-N 2 2 298.430 3.465 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000657879164 419401366 /nfs/dbraw/zinc/40/13/66/419401366.db2.gz KUKUHMKPFBYZHR-CVEARBPZSA-N 2 2 290.451 3.054 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657879164 419401373 /nfs/dbraw/zinc/40/13/73/419401373.db2.gz KUKUHMKPFBYZHR-CVEARBPZSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cnccc2o1 ZINC000657830130 419377437 /nfs/dbraw/zinc/37/74/37/419377437.db2.gz LGPUCTOOMUPBBM-LBPRGKRZSA-N 2 2 285.391 3.105 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C(C)(C)C(F)F ZINC000657900037 419424454 /nfs/dbraw/zinc/42/44/54/419424454.db2.gz GQZWRLPNCCWTIN-NSHDSACASA-N 2 2 271.355 3.153 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054724 419523816 /nfs/dbraw/zinc/52/38/16/419523816.db2.gz GFHOETOSPJBKQL-YOEHRIQHSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054724 419523822 /nfs/dbraw/zinc/52/38/22/419523822.db2.gz GFHOETOSPJBKQL-YOEHRIQHSA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000658059374 419532023 /nfs/dbraw/zinc/53/20/23/419532023.db2.gz ICWRDGZIDUGUAN-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000658059374 419532031 /nfs/dbraw/zinc/53/20/31/419532031.db2.gz ICWRDGZIDUGUAN-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063431 419537443 /nfs/dbraw/zinc/53/74/43/419537443.db2.gz VLXKGLHAFOHDDQ-KBPBESRZSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063431 419537450 /nfs/dbraw/zinc/53/74/50/419537450.db2.gz VLXKGLHAFOHDDQ-KBPBESRZSA-N 2 2 297.446 3.098 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658079414 419549230 /nfs/dbraw/zinc/54/92/30/419549230.db2.gz YWWCPBMBNBIMOP-MZMPZRCHSA-N 2 2 290.426 3.219 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658079414 419549235 /nfs/dbraw/zinc/54/92/35/419549235.db2.gz YWWCPBMBNBIMOP-MZMPZRCHSA-N 2 2 290.426 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000658089925 419560322 /nfs/dbraw/zinc/56/03/22/419560322.db2.gz CDHRQDSUPJQFTI-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000658089925 419560327 /nfs/dbraw/zinc/56/03/27/419560327.db2.gz CDHRQDSUPJQFTI-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663345215 419569162 /nfs/dbraw/zinc/56/91/62/419569162.db2.gz HDPKMWVOFHZGJI-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663345215 419569174 /nfs/dbraw/zinc/56/91/74/419569174.db2.gz HDPKMWVOFHZGJI-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092635 419569467 /nfs/dbraw/zinc/56/94/67/419569467.db2.gz QYPCMPFSCVRSNC-FRFSOERESA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092635 419569477 /nfs/dbraw/zinc/56/94/77/419569477.db2.gz QYPCMPFSCVRSNC-FRFSOERESA-N 2 2 272.436 3.382 20 0 CGADLP CCC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663349864 419574351 /nfs/dbraw/zinc/57/43/51/419574351.db2.gz UEKPPFBNDCCAGJ-UHFFFAOYSA-N 2 2 284.407 3.103 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095559 419574426 /nfs/dbraw/zinc/57/44/26/419574426.db2.gz JACYLLAWYNWYOW-UONOGXRCSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095559 419574428 /nfs/dbraw/zinc/57/44/28/419574428.db2.gz JACYLLAWYNWYOW-UONOGXRCSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294216 419742117 /nfs/dbraw/zinc/74/21/17/419742117.db2.gz MIZOPPYZUGFZRQ-JZXOWHBKSA-N 2 2 296.499 3.290 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663918643 419759140 /nfs/dbraw/zinc/75/91/40/419759140.db2.gz UCGCGDUBGDYPBI-CYBMUJFWSA-N 2 2 286.423 3.349 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663918643 419759149 /nfs/dbraw/zinc/75/91/49/419759149.db2.gz UCGCGDUBGDYPBI-CYBMUJFWSA-N 2 2 286.423 3.349 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000230675091 287640073 /nfs/dbraw/zinc/64/00/73/287640073.db2.gz CKNUDBIYTKLGCH-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186578931 260104807 /nfs/dbraw/zinc/10/48/07/260104807.db2.gz BIOKVKIALAEYGJ-RUXDESIVSA-N 2 2 292.389 3.429 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186578931 260104809 /nfs/dbraw/zinc/10/48/09/260104809.db2.gz BIOKVKIALAEYGJ-RUXDESIVSA-N 2 2 292.389 3.429 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000234054142 260150022 /nfs/dbraw/zinc/15/00/22/260150022.db2.gz MJMIIXVLCLEZRS-KGLIPLIRSA-N 2 2 297.240 3.242 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1c1ccccc1 ZINC000319212445 262185307 /nfs/dbraw/zinc/18/53/07/262185307.db2.gz RNWYDOANGZWPHC-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1c1ccccc1 ZINC000319212445 262185308 /nfs/dbraw/zinc/18/53/08/262185308.db2.gz RNWYDOANGZWPHC-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020305989 262219554 /nfs/dbraw/zinc/21/95/54/262219554.db2.gz RAPMHUSOGITUMF-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccs1 ZINC000036996309 270028223 /nfs/dbraw/zinc/02/82/23/270028223.db2.gz BONFOSHIBYTLGY-BFHYXJOUSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccs1 ZINC000036996309 270028224 /nfs/dbraw/zinc/02/82/24/270028224.db2.gz BONFOSHIBYTLGY-BFHYXJOUSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000041064033 270030213 /nfs/dbraw/zinc/03/02/13/270030213.db2.gz HNVVCJMUBXXLOZ-AWEZNQCLSA-N 2 2 265.360 3.387 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685540 270037424 /nfs/dbraw/zinc/03/74/24/270037424.db2.gz PLBCLQGGRRNKHE-KDOFPFPSSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685540 270037425 /nfs/dbraw/zinc/03/74/25/270037425.db2.gz PLBCLQGGRRNKHE-KDOFPFPSSA-N 2 2 284.447 3.453 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094620 270037987 /nfs/dbraw/zinc/03/79/87/270037987.db2.gz MQBGSVULYRAGSI-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000186091442 270064783 /nfs/dbraw/zinc/06/47/83/270064783.db2.gz MHASGHXOVGMVJY-LLVKDONJSA-N 2 2 280.437 3.034 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000186239864 270065442 /nfs/dbraw/zinc/06/54/42/270065442.db2.gz WPGLTHZAGOOKBD-OLZOCXBDSA-N 2 2 293.480 3.401 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000186239864 270065443 /nfs/dbraw/zinc/06/54/43/270065443.db2.gz WPGLTHZAGOOKBD-OLZOCXBDSA-N 2 2 293.480 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186578908 270066557 /nfs/dbraw/zinc/06/65/57/270066557.db2.gz BIOKVKIALAEYGJ-JXQTWKCFSA-N 2 2 292.389 3.429 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186578908 270066558 /nfs/dbraw/zinc/06/65/58/270066558.db2.gz BIOKVKIALAEYGJ-JXQTWKCFSA-N 2 2 292.389 3.429 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1c(C)noc1C ZINC000191825291 270076443 /nfs/dbraw/zinc/07/64/43/270076443.db2.gz WVAMDTPQKDIKGE-AWEZNQCLSA-N 2 2 267.417 3.064 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000223026780 270086084 /nfs/dbraw/zinc/08/60/84/270086084.db2.gz LCVQONYPYYXMFJ-AWEZNQCLSA-N 2 2 280.843 3.347 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000224606318 270086710 /nfs/dbraw/zinc/08/67/10/270086710.db2.gz MDDHABDEOLYOSC-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000224606318 270086711 /nfs/dbraw/zinc/08/67/11/270086711.db2.gz MDDHABDEOLYOSC-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000250315508 270091337 /nfs/dbraw/zinc/09/13/37/270091337.db2.gz MJPHUJDJVPCTME-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000250315508 270091338 /nfs/dbraw/zinc/09/13/38/270091338.db2.gz MJPHUJDJVPCTME-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000526107546 270122984 /nfs/dbraw/zinc/12/29/84/270122984.db2.gz DQYJTXKEHXTPRG-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000526112772 270122989 /nfs/dbraw/zinc/12/29/89/270122989.db2.gz JXXYXWUGQYYPLT-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000526112772 270122990 /nfs/dbraw/zinc/12/29/90/270122990.db2.gz JXXYXWUGQYYPLT-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000527098609 270125143 /nfs/dbraw/zinc/12/51/43/270125143.db2.gz WPMQNCGCCJZXIA-NEWSRXKRSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000527098609 270125144 /nfs/dbraw/zinc/12/51/44/270125144.db2.gz WPMQNCGCCJZXIA-NEWSRXKRSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527640527 270130568 /nfs/dbraw/zinc/13/05/68/270130568.db2.gz MIPKFNAGLZQDKN-COXVUDFISA-N 2 2 285.435 3.075 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527752987 270134197 /nfs/dbraw/zinc/13/41/97/270134197.db2.gz RAHGHANNKTXIDP-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527752987 270134198 /nfs/dbraw/zinc/13/41/98/270134198.db2.gz RAHGHANNKTXIDP-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H](c2ccccn2)C2CCC2)[nH+]1 ZINC000527771902 270135275 /nfs/dbraw/zinc/13/52/75/270135275.db2.gz KQLSJZMXLOLQQM-GOSISDBHSA-N 2 2 292.386 3.360 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811188 270137646 /nfs/dbraw/zinc/13/76/46/270137646.db2.gz XFKOOHFDGOGPLH-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811188 270137647 /nfs/dbraw/zinc/13/76/47/270137647.db2.gz XFKOOHFDGOGPLH-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000527854608 270139806 /nfs/dbraw/zinc/13/98/06/270139806.db2.gz UCUJNLFPNYLCEQ-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000527854608 270139807 /nfs/dbraw/zinc/13/98/07/270139807.db2.gz UCUJNLFPNYLCEQ-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)[NH+](C)C)cc1 ZINC000527855775 270139931 /nfs/dbraw/zinc/13/99/31/270139931.db2.gz ODKVVPMTTLCSSQ-UAGQMJEPSA-N 2 2 272.436 3.376 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000527893926 270142417 /nfs/dbraw/zinc/14/24/17/270142417.db2.gz RKXFLVJMBXNEOQ-IRXDYDNUSA-N 2 2 283.419 3.199 20 0 CGADLP C1=CCC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000527943406 270145961 /nfs/dbraw/zinc/14/59/61/270145961.db2.gz KSUVTKRDKJNARZ-SFHVURJKSA-N 2 2 270.420 3.207 20 0 CGADLP C1=CCC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000527943406 270145962 /nfs/dbraw/zinc/14/59/62/270145962.db2.gz KSUVTKRDKJNARZ-SFHVURJKSA-N 2 2 270.420 3.207 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951097 270146298 /nfs/dbraw/zinc/14/62/98/270146298.db2.gz QGPVCOPAYJMGID-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951097 270146299 /nfs/dbraw/zinc/14/62/99/270146299.db2.gz QGPVCOPAYJMGID-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951103 270146609 /nfs/dbraw/zinc/14/66/09/270146609.db2.gz QGPVCOPAYJMGID-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951103 270146610 /nfs/dbraw/zinc/14/66/10/270146610.db2.gz QGPVCOPAYJMGID-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527997736 270149502 /nfs/dbraw/zinc/14/95/02/270149502.db2.gz ASVNWWDVVGSGNB-DLBZAZTESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527997736 270149503 /nfs/dbraw/zinc/14/95/03/270149503.db2.gz ASVNWWDVVGSGNB-DLBZAZTESA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528004724 270150462 /nfs/dbraw/zinc/15/04/62/270150462.db2.gz WRTJGNILQJWRGI-YOEHRIQHSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528004724 270150463 /nfs/dbraw/zinc/15/04/63/270150463.db2.gz WRTJGNILQJWRGI-YOEHRIQHSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ncccc1F ZINC000528036206 270152536 /nfs/dbraw/zinc/15/25/36/270152536.db2.gz PBXOTSNAJGKFAI-LBPRGKRZSA-N 2 2 279.403 3.134 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CCNc1[nH+]ccc2ccccc21 ZINC000528054661 270153264 /nfs/dbraw/zinc/15/32/64/270153264.db2.gz RSRJSUYJJYHGPV-CQSZACIVSA-N 2 2 255.365 3.131 20 0 CGADLP C[N@H+]1CCC[C@@H]1CCNc1[nH+]ccc2ccccc21 ZINC000528054661 270153265 /nfs/dbraw/zinc/15/32/65/270153265.db2.gz RSRJSUYJJYHGPV-CQSZACIVSA-N 2 2 255.365 3.131 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C/C=C(/C)Cl)C1 ZINC000528375626 270162749 /nfs/dbraw/zinc/16/27/49/270162749.db2.gz CMSRQGBILIPXJH-TZQNSNDFSA-N 2 2 267.804 3.225 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528375626 270162750 /nfs/dbraw/zinc/16/27/50/270162750.db2.gz CMSRQGBILIPXJH-TZQNSNDFSA-N 2 2 267.804 3.225 20 0 CGADLP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000528490364 270166688 /nfs/dbraw/zinc/16/66/88/270166688.db2.gz JZBKVCKJDTYCST-QMPFAZFSSA-N 2 2 264.800 3.164 20 0 CGADLP C/C(Cl)=C/C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000528490364 270166689 /nfs/dbraw/zinc/16/66/89/270166689.db2.gz JZBKVCKJDTYCST-QMPFAZFSSA-N 2 2 264.800 3.164 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529548988 270184099 /nfs/dbraw/zinc/18/40/99/270184099.db2.gz MWIWORIJKGQHOG-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529548988 270184100 /nfs/dbraw/zinc/18/41/00/270184100.db2.gz MWIWORIJKGQHOG-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216657 270195692 /nfs/dbraw/zinc/19/56/92/270195692.db2.gz CXNDWWHQMYCOMK-YOEHRIQHSA-N 2 2 288.435 3.409 20 0 CGADLP CC1(C)CC(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000530225670 270196558 /nfs/dbraw/zinc/19/65/58/270196558.db2.gz VIUUVHWUVBQWOV-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000530225670 270196559 /nfs/dbraw/zinc/19/65/59/270196559.db2.gz VIUUVHWUVBQWOV-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217357 270196295 /nfs/dbraw/zinc/19/62/95/270196295.db2.gz GCZWQEKWLBNTEE-LSDHHAIUSA-N 2 2 262.372 3.151 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc(C)c1F ZINC000530219304 270196303 /nfs/dbraw/zinc/19/63/03/270196303.db2.gz LHCLIZMAUQSGIJ-ZFWWWQNUSA-N 2 2 276.399 3.378 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000531939720 270210972 /nfs/dbraw/zinc/21/09/72/270210972.db2.gz WXLSKJGDVQCCKY-NVXWUHKLSA-N 2 2 262.441 3.328 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532501297 270216566 /nfs/dbraw/zinc/21/65/66/270216566.db2.gz UOYNQBRLKXLPMP-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000532532372 270217136 /nfs/dbraw/zinc/21/71/36/270217136.db2.gz BBFFOCAYGBHAHN-NEWSRXKRSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000532532372 270217137 /nfs/dbraw/zinc/21/71/37/270217137.db2.gz BBFFOCAYGBHAHN-NEWSRXKRSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)S1 ZINC000532969072 270220221 /nfs/dbraw/zinc/22/02/21/270220221.db2.gz BUUTYCGFVNUXJS-OKILXGFUSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)S1 ZINC000532969072 270220222 /nfs/dbraw/zinc/22/02/22/270220222.db2.gz BUUTYCGFVNUXJS-OKILXGFUSA-N 2 2 287.432 3.198 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423273742 273555122 /nfs/dbraw/zinc/55/51/22/273555122.db2.gz KZFYMJPUIMJCAK-MVWJERBFSA-N 2 2 270.467 3.246 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414215106 274039623 /nfs/dbraw/zinc/03/96/23/274039623.db2.gz ZRNUULSULCBIAL-BQFCYCMXSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414215106 274039624 /nfs/dbraw/zinc/03/96/24/274039624.db2.gz ZRNUULSULCBIAL-BQFCYCMXSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000360044031 274233239 /nfs/dbraw/zinc/23/32/39/274233239.db2.gz BBIQNJDCYKHDCZ-HOCLYGCPSA-N 2 2 297.402 3.308 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000423234936 274726143 /nfs/dbraw/zinc/72/61/43/274726143.db2.gz MRBOGIJLKPHCHW-DZGCQCFKSA-N 2 2 276.449 3.182 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427868162 274744192 /nfs/dbraw/zinc/74/41/92/274744192.db2.gz CWVSBSJYUNJBSV-ROUUACIJSA-N 2 2 297.446 3.363 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1CCSCC1)CCC2 ZINC000354482824 274824070 /nfs/dbraw/zinc/82/40/70/274824070.db2.gz UMMHHSMCVDGAMR-UKRRQHHQSA-N 2 2 293.480 3.190 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@H]32)c[nH+]1 ZINC000285252980 275072553 /nfs/dbraw/zinc/07/25/53/275072553.db2.gz AQUCLAIGMOJZSY-FGTMMUONSA-N 2 2 281.403 3.151 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@H]32)c[nH+]1 ZINC000285252980 275072554 /nfs/dbraw/zinc/07/25/54/275072554.db2.gz AQUCLAIGMOJZSY-FGTMMUONSA-N 2 2 281.403 3.151 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000462789211 275391204 /nfs/dbraw/zinc/39/12/04/275391204.db2.gz JDCLAUKLJXJASQ-OKZBNKHCSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000414735831 275587490 /nfs/dbraw/zinc/58/74/90/275587490.db2.gz HFGIBZCXEBHENX-CQSZACIVSA-N 2 2 295.858 3.288 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423304757 275984820 /nfs/dbraw/zinc/98/48/20/275984820.db2.gz ZILBWIWZDGJFCT-ZIAGYGMSSA-N 2 2 264.413 3.172 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685207 276026036 /nfs/dbraw/zinc/02/60/36/276026036.db2.gz ONOVYLJIHDTIQM-DOTOQJQBSA-N 2 2 258.409 3.354 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685207 276026038 /nfs/dbraw/zinc/02/60/38/276026038.db2.gz ONOVYLJIHDTIQM-DOTOQJQBSA-N 2 2 258.409 3.354 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000339072827 276167985 /nfs/dbraw/zinc/16/79/85/276167985.db2.gz YCFNGNMLRZGVOC-AEFFLSMTSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000339072827 276167986 /nfs/dbraw/zinc/16/79/86/276167986.db2.gz YCFNGNMLRZGVOC-AEFFLSMTSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040502446 276168068 /nfs/dbraw/zinc/16/80/68/276168068.db2.gz AMEBBBMCYQTRLY-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040502446 276168069 /nfs/dbraw/zinc/16/80/69/276168069.db2.gz AMEBBBMCYQTRLY-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000490151452 276179237 /nfs/dbraw/zinc/17/92/37/276179237.db2.gz QUCCTIROQSRIPE-HFTRVMKXSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000490151452 276179238 /nfs/dbraw/zinc/17/92/38/276179238.db2.gz QUCCTIROQSRIPE-HFTRVMKXSA-N 2 2 272.436 3.302 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000361755083 276182588 /nfs/dbraw/zinc/18/25/88/276182588.db2.gz GRWJTQHRPUAQLE-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000361755083 276182589 /nfs/dbraw/zinc/18/25/89/276182589.db2.gz GRWJTQHRPUAQLE-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000122290563 276222422 /nfs/dbraw/zinc/22/24/22/276222422.db2.gz XMGVFTAFBDBWQL-VXGQWTEUSA-N 2 2 250.430 3.170 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000122290563 276222424 /nfs/dbraw/zinc/22/24/24/276222424.db2.gz XMGVFTAFBDBWQL-VXGQWTEUSA-N 2 2 250.430 3.170 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000358016587 276254001 /nfs/dbraw/zinc/25/40/01/276254001.db2.gz GKASUNMQJDYGDO-CQDKDKBSSA-N 2 2 294.826 3.093 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000358016587 276254002 /nfs/dbraw/zinc/25/40/02/276254002.db2.gz GKASUNMQJDYGDO-CQDKDKBSSA-N 2 2 294.826 3.093 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459374949 276373070 /nfs/dbraw/zinc/37/30/70/276373070.db2.gz UHUZPOVMQKSKNX-LXPRWKDFSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459374949 276373072 /nfs/dbraw/zinc/37/30/72/276373072.db2.gz UHUZPOVMQKSKNX-LXPRWKDFSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019960786 276379447 /nfs/dbraw/zinc/37/94/47/276379447.db2.gz BXPGDCFOYSWAMY-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019960786 276379448 /nfs/dbraw/zinc/37/94/48/276379448.db2.gz BXPGDCFOYSWAMY-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C[C@H]1CCSC1 ZINC000441374642 276804539 /nfs/dbraw/zinc/80/45/39/276804539.db2.gz WPYDAZFTKZIGHN-MRXNPFEDSA-N 2 2 296.524 3.375 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000393807374 288000772 /nfs/dbraw/zinc/00/07/72/288000772.db2.gz XJMJFEXWSFQHMH-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000393807374 288000773 /nfs/dbraw/zinc/00/07/73/288000773.db2.gz XJMJFEXWSFQHMH-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358135469 278030169 /nfs/dbraw/zinc/03/01/69/278030169.db2.gz RQLSLYAJNUQEKU-ZXTQRBJTSA-N 2 2 270.420 3.450 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000358135469 278030171 /nfs/dbraw/zinc/03/01/71/278030171.db2.gz RQLSLYAJNUQEKU-ZXTQRBJTSA-N 2 2 270.420 3.450 20 0 CGADLP Cc1cc(C)c(CNc2cc[nH+]c(C)c2Cl)c[nH+]1 ZINC000396969691 288019223 /nfs/dbraw/zinc/01/92/23/288019223.db2.gz FKJZDLPDGPWYHZ-UHFFFAOYSA-N 2 2 261.756 3.089 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000397234242 288022123 /nfs/dbraw/zinc/02/21/23/288022123.db2.gz AMDAIDWBSKIKLN-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000397234242 288022124 /nfs/dbraw/zinc/02/21/24/288022124.db2.gz AMDAIDWBSKIKLN-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP CC(C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000397411542 288023384 /nfs/dbraw/zinc/02/33/84/288023384.db2.gz OYBVQGPMBBXPTQ-AGIUHOORSA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000397411542 288023386 /nfs/dbraw/zinc/02/33/86/288023386.db2.gz OYBVQGPMBBXPTQ-AGIUHOORSA-N 2 2 281.469 3.072 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397632344 288025601 /nfs/dbraw/zinc/02/56/01/288025601.db2.gz VWDQPOGOILHFCP-JSGCOSHPSA-N 2 2 271.408 3.369 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000397749610 288029217 /nfs/dbraw/zinc/02/92/17/288029217.db2.gz ASOQGUYNOWLZDR-UHFFFAOYSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861417 278296779 /nfs/dbraw/zinc/29/67/79/278296779.db2.gz FJCPMRNMJZMFJM-QWRGUYRKSA-N 2 2 287.234 3.266 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397800847 288031090 /nfs/dbraw/zinc/03/10/90/288031090.db2.gz RKNLAKOQZGYDOR-CWRNSKLLSA-N 2 2 260.425 3.314 20 0 CGADLP CC1CC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397966384 288036810 /nfs/dbraw/zinc/03/68/10/288036810.db2.gz XXSQYNTUAYIDIH-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP CC1CC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397966384 288036813 /nfs/dbraw/zinc/03/68/13/288036813.db2.gz XXSQYNTUAYIDIH-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CS[C@H](C)C2)n1-c1ccccc1 ZINC000397840979 288031949 /nfs/dbraw/zinc/03/19/49/288031949.db2.gz QMCISTABRIRMIG-OCCSQVGLSA-N 2 2 287.432 3.164 20 0 CGADLP CC(C)[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398006750 288037115 /nfs/dbraw/zinc/03/71/15/288037115.db2.gz WFZFJQUVJRIETA-INIZCTEOSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)C1CCCCC1 ZINC000414371176 278359553 /nfs/dbraw/zinc/35/95/53/278359553.db2.gz WARPZNGQQJOYOA-UONOGXRCSA-N 2 2 292.471 3.181 20 0 CGADLP CC1(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC000398202100 288040447 /nfs/dbraw/zinc/04/04/47/288040447.db2.gz YYXGQKXEZWACJK-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000149329649 278588311 /nfs/dbraw/zinc/58/83/11/278588311.db2.gz JDPYIWCBCLJYCB-CZUORRHYSA-N 2 2 255.365 3.111 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1OC ZINC000346791070 288066645 /nfs/dbraw/zinc/06/66/45/288066645.db2.gz GONLRLUPAUBQBT-CWRNSKLLSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1OC ZINC000346791070 288066650 /nfs/dbraw/zinc/06/66/50/288066650.db2.gz GONLRLUPAUBQBT-CWRNSKLLSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422977660 278758484 /nfs/dbraw/zinc/75/84/84/278758484.db2.gz XDQGAPPNNIJWRK-BPLDGKMQSA-N 2 2 276.424 3.332 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccsc1 ZINC000187728813 278871952 /nfs/dbraw/zinc/87/19/52/278871952.db2.gz HUPWWWVHPSZTTJ-GDBMZVCRSA-N 2 2 296.480 3.147 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152765293 279023649 /nfs/dbraw/zinc/02/36/49/279023649.db2.gz ILZQQDRPHZTMKM-KUHUBIRLSA-N 2 2 295.430 3.285 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346798594 279126628 /nfs/dbraw/zinc/12/66/28/279126628.db2.gz PRVAUUHHNKRBIQ-JLZZUVOBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CCC[N@H+]1C ZINC000346798594 279126630 /nfs/dbraw/zinc/12/66/30/279126630.db2.gz PRVAUUHHNKRBIQ-JLZZUVOBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702463 279176565 /nfs/dbraw/zinc/17/65/65/279176565.db2.gz ZCOZEGNCTFLDCP-SJLPKXTDSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702463 279176567 /nfs/dbraw/zinc/17/65/67/279176567.db2.gz ZCOZEGNCTFLDCP-SJLPKXTDSA-N 2 2 281.403 3.209 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423191158 279295704 /nfs/dbraw/zinc/29/57/04/279295704.db2.gz OMGHGLIQXZBSIG-ZWNOBZJWSA-N 2 2 282.840 3.219 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449236314 279349205 /nfs/dbraw/zinc/34/92/05/279349205.db2.gz XQEIGHMXIOQTAA-XHBSWPGZSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449236314 279349206 /nfs/dbraw/zinc/34/92/06/279349206.db2.gz XQEIGHMXIOQTAA-XHBSWPGZSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCCC1 ZINC000336608211 279522448 /nfs/dbraw/zinc/52/24/48/279522448.db2.gz IEJYTIBHXBQZPD-DZGCQCFKSA-N 2 2 261.413 3.146 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000527232938 288158816 /nfs/dbraw/zinc/15/88/16/288158816.db2.gz JYQVHQTZRTVAEF-SJLPKXTDSA-N 2 2 274.452 3.358 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000527232938 288158818 /nfs/dbraw/zinc/15/88/18/288158818.db2.gz JYQVHQTZRTVAEF-SJLPKXTDSA-N 2 2 274.452 3.358 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096498 279823761 /nfs/dbraw/zinc/82/37/61/279823761.db2.gz HQFHLWOBNZKYJT-NVXWUHKLSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@@H+]1C ZINC000459483389 280106754 /nfs/dbraw/zinc/10/67/54/280106754.db2.gz ONEGOJPIDVTDLF-GUYCJALGSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@H+]1C ZINC000459483389 280106755 /nfs/dbraw/zinc/10/67/55/280106755.db2.gz ONEGOJPIDVTDLF-GUYCJALGSA-N 2 2 258.409 3.136 20 0 CGADLP C/C(Cl)=C\C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000528522310 288206977 /nfs/dbraw/zinc/20/69/77/288206977.db2.gz UEHGJRJMWUABLZ-VGOFMYFVSA-N 2 2 278.827 3.383 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353606939 280329748 /nfs/dbraw/zinc/32/97/48/280329748.db2.gz FPUKHSBITRQWNA-KYEXWDHISA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353606939 280329749 /nfs/dbraw/zinc/32/97/49/280329749.db2.gz FPUKHSBITRQWNA-KYEXWDHISA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CC(F)(F)C1 ZINC000529532923 288258798 /nfs/dbraw/zinc/25/87/98/288258798.db2.gz QJHHJKQJWJXVFI-BBRMVZONSA-N 2 2 296.405 3.183 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ncccc2F)c[nH+]1 ZINC000529688083 288272643 /nfs/dbraw/zinc/27/26/43/288272643.db2.gz HTBQQKRZTSMFJL-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C2CC(OC(C)C)C2)[NH+](C)C)cc1 ZINC000189527459 280987141 /nfs/dbraw/zinc/98/71/41/280987141.db2.gz QOMAUFHHARPWGR-ABHNRTSZSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc[nH+]c1C1CC1 ZINC000530129577 288288293 /nfs/dbraw/zinc/28/82/93/288288293.db2.gz MMCLFAIYIGVIAM-UHFFFAOYSA-N 2 2 278.359 3.303 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179479 288296248 /nfs/dbraw/zinc/29/62/48/288296248.db2.gz YJWGTDFKBSJBGR-OAHLLOKOSA-N 2 2 272.417 3.276 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000427874904 281377124 /nfs/dbraw/zinc/37/71/24/281377124.db2.gz NVPGPWLVFODZSM-TZMCWYRMSA-N 2 2 285.391 3.094 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CSC[C@@H]2C)[NH+](C)C)cc1 ZINC000449060015 281426588 /nfs/dbraw/zinc/42/65/88/281426588.db2.gz CCVCLMDLACISLL-XKQJLSEDSA-N 2 2 292.492 3.193 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CCC1CC1 ZINC000415061494 281459815 /nfs/dbraw/zinc/45/98/15/281459815.db2.gz CUSMUCLWFSBWJY-CXAGYDPISA-N 2 2 260.425 3.417 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)CCC2 ZINC000334831109 281548421 /nfs/dbraw/zinc/54/84/21/281548421.db2.gz LXFFZHSODINTMJ-ZIAGYGMSSA-N 2 2 261.413 3.237 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000531707993 288341760 /nfs/dbraw/zinc/34/17/60/288341760.db2.gz UWACDWJLCHNEHN-ZTFGCOKTSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000531707993 288341762 /nfs/dbraw/zinc/34/17/62/288341762.db2.gz UWACDWJLCHNEHN-ZTFGCOKTSA-N 2 2 272.436 3.458 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000531725616 288343488 /nfs/dbraw/zinc/34/34/88/288343488.db2.gz CVQSYFLVTNSFFH-JQHSSLGASA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000531725616 288343490 /nfs/dbraw/zinc/34/34/90/288343490.db2.gz CVQSYFLVTNSFFH-JQHSSLGASA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000532476186 288364037 /nfs/dbraw/zinc/36/40/37/288364037.db2.gz KDOWSZFJUFSOAE-HNNXBMFYSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000532476186 288364038 /nfs/dbraw/zinc/36/40/38/288364038.db2.gz KDOWSZFJUFSOAE-HNNXBMFYSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000542315080 288747232 /nfs/dbraw/zinc/74/72/32/288747232.db2.gz MQRHAYZPLCJBAC-UHFFFAOYSA-N 2 2 261.394 3.212 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c[nH+]1 ZINC000548653780 289014662 /nfs/dbraw/zinc/01/46/62/289014662.db2.gz KYUJTSCVXAZIDC-OKILXGFUSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)c[nH+]1 ZINC000548653780 289014663 /nfs/dbraw/zinc/01/46/63/289014663.db2.gz KYUJTSCVXAZIDC-OKILXGFUSA-N 2 2 264.438 3.148 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000548883125 289027227 /nfs/dbraw/zinc/02/72/27/289027227.db2.gz COONKXUEPBXGJL-UAGQMJEPSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000551788237 289132185 /nfs/dbraw/zinc/13/21/85/289132185.db2.gz ACZBGKCEPJYXBX-KXBFYZLASA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000551788237 289132186 /nfs/dbraw/zinc/13/21/86/289132186.db2.gz ACZBGKCEPJYXBX-KXBFYZLASA-N 2 2 286.463 3.248 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000556166285 289374634 /nfs/dbraw/zinc/37/46/34/289374634.db2.gz NTVRTYHJVLAQNR-HNNXBMFYSA-N 2 2 261.413 3.278 20 0 CGADLP Fc1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000556410644 289390386 /nfs/dbraw/zinc/39/03/86/289390386.db2.gz UJPQKMOTDGQASN-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437082530 533693110 /nfs/dbraw/zinc/69/31/10/533693110.db2.gz BXCHPHWZRMUTLT-ZDUSSCGKSA-N 2 2 266.454 3.143 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC1(C)C ZINC000487265798 290017998 /nfs/dbraw/zinc/01/79/98/290017998.db2.gz OJSFHHGLJITUDT-GZBFAFLISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC1(C)C ZINC000487265798 290018000 /nfs/dbraw/zinc/01/80/00/290018000.db2.gz OJSFHHGLJITUDT-GZBFAFLISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261582775 290264771 /nfs/dbraw/zinc/26/47/71/290264771.db2.gz RIBPAEVKQSEVBG-TYNCELHUSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261582775 290264775 /nfs/dbraw/zinc/26/47/75/290264775.db2.gz RIBPAEVKQSEVBG-TYNCELHUSA-N 2 2 264.800 3.085 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471588661 293092805 /nfs/dbraw/zinc/09/28/05/293092805.db2.gz YKKSRRMPQJWKQC-SZMVWBNQSA-N 2 2 292.467 3.329 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000425333771 295642214 /nfs/dbraw/zinc/64/22/14/295642214.db2.gz CLJMQHXRFHSKRZ-GVDBMIGSSA-N 2 2 290.476 3.307 20 0 CGADLP Cc1ccsc1C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000262100224 302302092 /nfs/dbraw/zinc/30/20/92/302302092.db2.gz VNVVZUIDQRUYIO-UHFFFAOYSA-N 2 2 274.433 3.060 20 0 CGADLP Cc1ccsc1C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000262100224 302302095 /nfs/dbraw/zinc/30/20/95/302302095.db2.gz VNVVZUIDQRUYIO-UHFFFAOYSA-N 2 2 274.433 3.060 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)n1C ZINC000563439276 321998175 /nfs/dbraw/zinc/99/81/75/321998175.db2.gz GLXVARJGWMBQAO-SFHVURJKSA-N 2 2 283.419 3.230 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)c(C)s1 ZINC000563440501 321998323 /nfs/dbraw/zinc/99/83/23/321998323.db2.gz LVEBHOOTHZNWCA-SNVBAGLBSA-N 2 2 263.410 3.258 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000564429240 322030704 /nfs/dbraw/zinc/03/07/04/322030704.db2.gz OWLWXWVYOUUQIQ-OAHLLOKOSA-N 2 2 298.858 3.205 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC12CCC2 ZINC000565244164 322069724 /nfs/dbraw/zinc/06/97/24/322069724.db2.gz GILKAONIZQTCGR-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000565673838 322086456 /nfs/dbraw/zinc/08/64/56/322086456.db2.gz GTGYBOVJCQLVDM-QKPAOTATSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000565673838 322086457 /nfs/dbraw/zinc/08/64/57/322086457.db2.gz GTGYBOVJCQLVDM-QKPAOTATSA-N 2 2 270.436 3.367 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000566007371 322100617 /nfs/dbraw/zinc/10/06/17/322100617.db2.gz VOPFVRKUGZCWRK-MOPGFXCFSA-N 2 2 296.414 3.300 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2ccccc2Cl)n1C ZINC000567062652 322149093 /nfs/dbraw/zinc/14/90/93/322149093.db2.gz DGKCCWINJBXWMQ-UHFFFAOYSA-N 2 2 291.826 3.449 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000567356118 322160161 /nfs/dbraw/zinc/16/01/61/322160161.db2.gz SLMPPAZAJPRXHO-AWEZNQCLSA-N 2 2 279.453 3.018 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1C ZINC000567368530 322161053 /nfs/dbraw/zinc/16/10/53/322161053.db2.gz ZAYGMSOSVTYPJC-KRWDZBQOSA-N 2 2 287.382 3.499 20 0 CGADLP CCSCC[C@H](C)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000567781574 322177769 /nfs/dbraw/zinc/17/77/69/322177769.db2.gz JOVICMQAKSVPML-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP CCSCC[C@H](C)[N@H+](C)CCc1cc[nH+]cc1C ZINC000567781574 322177767 /nfs/dbraw/zinc/17/77/67/322177767.db2.gz JOVICMQAKSVPML-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c[nH+]c(C)n1C ZINC000567916189 322182821 /nfs/dbraw/zinc/18/28/21/322182821.db2.gz MMKBLKQYEHHMKF-HNNXBMFYSA-N 2 2 287.407 3.433 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H](C)O)[NH2+][C@@H](C)c1ccccc1 ZINC000568990357 322230262 /nfs/dbraw/zinc/23/02/62/322230262.db2.gz BLBZYPKJPFQQTM-MUQADHOPSA-N 2 2 292.467 3.111 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000569966265 322261722 /nfs/dbraw/zinc/26/17/22/322261722.db2.gz PKTLXQSTXLBEAM-ZDUSSCGKSA-N 2 2 280.375 3.160 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000570529466 322275904 /nfs/dbraw/zinc/27/59/04/322275904.db2.gz UHKQAICMCNJREG-HUUCEWRRSA-N 2 2 263.429 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570556233 322276441 /nfs/dbraw/zinc/27/64/41/322276441.db2.gz WRTHCRHWNYKRQQ-HOCLYGCPSA-N 2 2 283.419 3.126 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570556233 322276442 /nfs/dbraw/zinc/27/64/42/322276442.db2.gz WRTHCRHWNYKRQQ-HOCLYGCPSA-N 2 2 283.419 3.126 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000570688410 322279926 /nfs/dbraw/zinc/27/99/26/322279926.db2.gz XOCVXHIAAKRUPI-ZDUSSCGKSA-N 2 2 277.799 3.271 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+](C)CCC[NH+](C)C ZINC000571987225 322314339 /nfs/dbraw/zinc/31/43/39/322314339.db2.gz PNRONUOBHGLVFQ-UHFFFAOYSA-N 2 2 286.419 3.232 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+](C)CCC[NH+](C)C ZINC000571987225 322314343 /nfs/dbraw/zinc/31/43/43/322314343.db2.gz PNRONUOBHGLVFQ-UHFFFAOYSA-N 2 2 286.419 3.232 20 0 CGADLP Clc1cccc(C[NH2+]CCC[NH+]2CCC2)c1Cl ZINC000573386243 322385707 /nfs/dbraw/zinc/38/57/07/322385707.db2.gz XCIMFUWLADAJFM-UHFFFAOYSA-N 2 2 273.207 3.179 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000583360750 327319930 /nfs/dbraw/zinc/31/99/30/327319930.db2.gz PYWHVPALSPLNAB-YOEHRIQHSA-N 2 2 288.435 3.004 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000583360750 327319931 /nfs/dbraw/zinc/31/99/31/327319931.db2.gz PYWHVPALSPLNAB-YOEHRIQHSA-N 2 2 288.435 3.004 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)o1 ZINC000582586148 329112509 /nfs/dbraw/zinc/11/25/09/329112509.db2.gz RUYVTLRXZZEPND-LSDHHAIUSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)o1 ZINC000582586148 329112510 /nfs/dbraw/zinc/11/25/10/329112510.db2.gz RUYVTLRXZZEPND-LSDHHAIUSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000395177486 329278262 /nfs/dbraw/zinc/27/82/62/329278262.db2.gz CNPYWUYVFBIJOK-HZPDHXFCSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000395177486 329278260 /nfs/dbraw/zinc/27/82/60/329278260.db2.gz CNPYWUYVFBIJOK-HZPDHXFCSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000576194138 335167462 /nfs/dbraw/zinc/16/74/62/335167462.db2.gz VOJARNVPBSYMMS-IRXDYDNUSA-N 2 2 258.409 3.445 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000577050766 335290139 /nfs/dbraw/zinc/29/01/39/335290139.db2.gz KTELUGNZNAUHCH-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000577050766 335290140 /nfs/dbraw/zinc/29/01/40/335290140.db2.gz KTELUGNZNAUHCH-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1nccs1)[NH+]1CCCCC1 ZINC000184513509 335927742 /nfs/dbraw/zinc/92/77/42/335927742.db2.gz IDWDFDDANSUNCR-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000381762429 336072654 /nfs/dbraw/zinc/07/26/54/336072654.db2.gz LLTOIBPZBJXUBY-WBAXXEDZSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000381762429 336072655 /nfs/dbraw/zinc/07/26/55/336072655.db2.gz LLTOIBPZBJXUBY-WBAXXEDZSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581469226 336084591 /nfs/dbraw/zinc/08/45/91/336084591.db2.gz PFJBLWFBOIDFHU-IDCNUPLLSA-N 2 2 290.451 3.143 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386086882 336166082 /nfs/dbraw/zinc/16/60/82/336166082.db2.gz HNCYKYHFJJPEBK-SMDDNHRTSA-N 2 2 286.341 3.326 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000386086404 336166118 /nfs/dbraw/zinc/16/61/18/336166118.db2.gz HMXCUWASSYPCPG-JQFCIGGWSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423319068 533897098 /nfs/dbraw/zinc/89/70/98/533897098.db2.gz LNUCKSGVXIOQIK-ZANVPECISA-N 2 2 278.783 3.474 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423241308 533897851 /nfs/dbraw/zinc/89/78/51/533897851.db2.gz LHVRNLBQGZTVJL-LRDDRELGSA-N 2 2 258.340 3.176 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CCCC[NH2+]C3)oc21 ZINC000423551747 533910980 /nfs/dbraw/zinc/91/09/80/533910980.db2.gz JLZHVQGNWYKPKU-JSGCOSHPSA-N 2 2 288.391 3.234 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000425360743 533990311 /nfs/dbraw/zinc/99/03/11/533990311.db2.gz SUBJMIXKWGATOB-ARFHVFGLSA-N 2 2 278.465 3.081 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCOC1 ZINC000423409370 533995078 /nfs/dbraw/zinc/99/50/78/533995078.db2.gz YUXVIYZMYRVOPT-ZOCIIQOWSA-N 2 2 298.430 3.244 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286112 533995441 /nfs/dbraw/zinc/99/54/41/533995441.db2.gz ZQAXYNWYYLMNBB-TVQRCGJNSA-N 2 2 278.783 3.474 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1c[nH+]cn1C ZINC000177247709 534046574 /nfs/dbraw/zinc/04/65/74/534046574.db2.gz FHTHORQXIHXDRL-LBPRGKRZSA-N 2 2 269.348 3.359 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1c[nH+]cn1C ZINC000177247709 534046577 /nfs/dbraw/zinc/04/65/77/534046577.db2.gz FHTHORQXIHXDRL-LBPRGKRZSA-N 2 2 269.348 3.359 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232700 534085644 /nfs/dbraw/zinc/08/56/44/534085644.db2.gz COVPLPULLIIEBP-FSPWUOQZSA-N 2 2 266.388 3.210 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372983277 534145980 /nfs/dbraw/zinc/14/59/80/534145980.db2.gz SKAQHMUIGULWPM-HIFRSBDPSA-N 2 2 284.407 3.182 20 0 CGADLP CSc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000422990821 534168737 /nfs/dbraw/zinc/16/87/37/534168737.db2.gz OFNBYZLGMALYCQ-CABCVRRESA-N 2 2 285.416 3.038 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000449073014 534259928 /nfs/dbraw/zinc/25/99/28/534259928.db2.gz LZOIMMWNVZAINQ-HNNXBMFYSA-N 2 2 295.386 3.245 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCn1cc[nH+]c1 ZINC000449065652 534267027 /nfs/dbraw/zinc/26/70/27/534267027.db2.gz VENZKSLORKRGEU-AWEZNQCLSA-N 2 2 283.375 3.240 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000449399791 534440354 /nfs/dbraw/zinc/44/03/54/534440354.db2.gz DKOPRFLIMWSCDP-BGTYHANMSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000449399791 534440360 /nfs/dbraw/zinc/44/03/60/534440360.db2.gz DKOPRFLIMWSCDP-BGTYHANMSA-N 2 2 272.436 3.110 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc1-n1cc[nH+]c1 ZINC000367173582 534440273 /nfs/dbraw/zinc/44/02/73/534440273.db2.gz QPZQYKCLSVSQQN-SQWLQELKSA-N 2 2 285.366 3.290 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054764534 519783641 /nfs/dbraw/zinc/78/36/41/519783641.db2.gz PTSDNLSXUXBPQL-LBPRGKRZSA-N 2 2 259.353 3.048 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@H+](C)[C@H]3C)ccc2n1 ZINC000437773363 534470865 /nfs/dbraw/zinc/47/08/65/534470865.db2.gz JGXVJZQEHSAXTO-YOEHRIQHSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+](C)[C@H]3C)ccc2n1 ZINC000437773363 534470871 /nfs/dbraw/zinc/47/08/71/534470871.db2.gz JGXVJZQEHSAXTO-YOEHRIQHSA-N 2 2 283.419 3.116 20 0 CGADLP Fc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414101663 534515081 /nfs/dbraw/zinc/51/50/81/534515081.db2.gz UHUNIRBCDZWOAY-UHFFFAOYSA-N 2 2 274.383 3.031 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027854 522930954 /nfs/dbraw/zinc/93/09/54/522930954.db2.gz DPTASWIEPZBHAY-UONOGXRCSA-N 2 2 252.789 3.214 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027854 522930969 /nfs/dbraw/zinc/93/09/69/522930969.db2.gz DPTASWIEPZBHAY-UONOGXRCSA-N 2 2 252.789 3.214 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1F ZINC000449038079 534711364 /nfs/dbraw/zinc/71/13/64/534711364.db2.gz RIFNRCSOVVOZKO-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1F ZINC000449038079 534711368 /nfs/dbraw/zinc/71/13/68/534711368.db2.gz RIFNRCSOVVOZKO-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1F ZINC000449038079 534711372 /nfs/dbraw/zinc/71/13/72/534711372.db2.gz RIFNRCSOVVOZKO-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1F ZINC000449038079 534711376 /nfs/dbraw/zinc/71/13/76/534711376.db2.gz RIFNRCSOVVOZKO-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC23CC3)n1-c1ccccc1 ZINC000418090556 534741172 /nfs/dbraw/zinc/74/11/72/534741172.db2.gz DRGCXVMLDQODDF-CQSZACIVSA-N 2 2 267.376 3.070 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c(C)n1 ZINC000423278955 534750473 /nfs/dbraw/zinc/75/04/73/534750473.db2.gz QOFYKJCMVNDJFO-ZDUSSCGKSA-N 2 2 290.455 3.056 20 0 CGADLP COc1ccc(F)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000339350360 524272152 /nfs/dbraw/zinc/27/21/52/524272152.db2.gz YGUJSDNFIXZDSX-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206791 524845350 /nfs/dbraw/zinc/84/53/50/524845350.db2.gz ULLJPJGRRFJSGI-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206791 524845362 /nfs/dbraw/zinc/84/53/62/524845362.db2.gz ULLJPJGRRFJSGI-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086254079 525275379 /nfs/dbraw/zinc/27/53/79/525275379.db2.gz ZQIKTXFQMPRLNT-AWEZNQCLSA-N 2 2 271.408 3.234 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CS1 ZINC000368488791 526679957 /nfs/dbraw/zinc/67/99/57/526679957.db2.gz TYORKAXFIHQZRD-OCCSQVGLSA-N 2 2 293.480 3.229 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423288700 527259286 /nfs/dbraw/zinc/25/92/86/527259286.db2.gz UNYUBEIELKCVBT-KRWDZBQOSA-N 2 2 295.386 3.244 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000414122892 527847843 /nfs/dbraw/zinc/84/78/43/527847843.db2.gz IWLANUHRTJLDPF-HNNXBMFYSA-N 2 2 265.445 3.403 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743507 527975360 /nfs/dbraw/zinc/97/53/60/527975360.db2.gz AIWQZPBRFXEKRC-ZFZWDLNGSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743507 527975365 /nfs/dbraw/zinc/97/53/65/527975365.db2.gz AIWQZPBRFXEKRC-ZFZWDLNGSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000414185970 527991735 /nfs/dbraw/zinc/99/17/35/527991735.db2.gz PBGKQRWDJLNLPI-HUBLWGQQSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000414185970 527991740 /nfs/dbraw/zinc/99/17/40/527991740.db2.gz PBGKQRWDJLNLPI-HUBLWGQQSA-N 2 2 266.816 3.331 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000359007321 528109610 /nfs/dbraw/zinc/10/96/10/528109610.db2.gz ZQJYHBFPKGPCSS-HRCADAONSA-N 2 2 282.497 3.006 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000358161168 528116662 /nfs/dbraw/zinc/11/66/62/528116662.db2.gz KTILFYLZXLMQBT-IHWYPQMZSA-N 2 2 274.383 3.081 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000358161168 528116666 /nfs/dbraw/zinc/11/66/66/528116666.db2.gz KTILFYLZXLMQBT-IHWYPQMZSA-N 2 2 274.383 3.081 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000358137492 528119799 /nfs/dbraw/zinc/11/97/99/528119799.db2.gz LYBGTMSCPFAJOY-UHFFFAOYSA-N 2 2 299.393 3.116 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000358137492 528119803 /nfs/dbraw/zinc/11/98/03/528119803.db2.gz LYBGTMSCPFAJOY-UHFFFAOYSA-N 2 2 299.393 3.116 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437766454 528139558 /nfs/dbraw/zinc/13/95/58/528139558.db2.gz SRRCOLGNAFTWHW-ROUUACIJSA-N 2 2 274.452 3.428 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccn1 ZINC000367435785 528228848 /nfs/dbraw/zinc/22/88/48/528228848.db2.gz DAALJCATQVHVBK-HNNXBMFYSA-N 2 2 284.407 3.245 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(OC)cc1 ZINC000423370607 528237494 /nfs/dbraw/zinc/23/74/94/528237494.db2.gz ULUCLSHZEMNXML-XOKHGSTOSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000367307776 528251880 /nfs/dbraw/zinc/25/18/80/528251880.db2.gz LCYCHGMBHPZCPW-MRXNPFEDSA-N 2 2 289.467 3.318 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423248231 528332998 /nfs/dbraw/zinc/33/29/98/528332998.db2.gz QLZDDHWKOKLDGD-MRXNPFEDSA-N 2 2 264.388 3.256 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423252152 528333030 /nfs/dbraw/zinc/33/30/30/528333030.db2.gz XDNXBGQTKNGFCP-ZDUSSCGKSA-N 2 2 285.229 3.099 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423238113 528333250 /nfs/dbraw/zinc/33/32/50/528333250.db2.gz FECBDPXHUBXCJF-JTQLQIEISA-N 2 2 295.477 3.440 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427893549 528437460 /nfs/dbraw/zinc/43/74/60/528437460.db2.gz PHZRRWCKEUQCSN-QZTJIDSGSA-N 2 2 297.446 3.445 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423284137 528476027 /nfs/dbraw/zinc/47/60/27/528476027.db2.gz XWMDYXLTEPNJLW-SMDDNHRTSA-N 2 2 284.831 3.373 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423273621 528534042 /nfs/dbraw/zinc/53/40/42/528534042.db2.gz KSWMECUGFTYONQ-SKDRFNHKSA-N 2 2 290.329 3.061 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422899150 528600555 /nfs/dbraw/zinc/60/05/55/528600555.db2.gz GVLXPLADDZGMIR-UONOGXRCSA-N 2 2 286.341 3.354 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000423304303 528820638 /nfs/dbraw/zinc/82/06/38/528820638.db2.gz YIDUCRQGKHIKBL-RYUDHWBXSA-N 2 2 298.402 3.011 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449110876 528824784 /nfs/dbraw/zinc/82/47/84/528824784.db2.gz HJFKETPRKUOKFM-CQSZACIVSA-N 2 2 274.408 3.294 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449110876 528824789 /nfs/dbraw/zinc/82/47/89/528824789.db2.gz HJFKETPRKUOKFM-CQSZACIVSA-N 2 2 274.408 3.294 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414813761 528954181 /nfs/dbraw/zinc/95/41/81/528954181.db2.gz MUMQRFGZBLCPQX-CYBMUJFWSA-N 2 2 264.344 3.179 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423285432 529072030 /nfs/dbraw/zinc/07/20/30/529072030.db2.gz ZHPCYMLXJVWWAX-ZYHUDNBSSA-N 2 2 290.329 3.219 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309777 529202114 /nfs/dbraw/zinc/20/21/14/529202114.db2.gz INJMPWRTEOTSSX-FLXSYLCISA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309777 529202117 /nfs/dbraw/zinc/20/21/17/529202117.db2.gz INJMPWRTEOTSSX-FLXSYLCISA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000427867491 529207712 /nfs/dbraw/zinc/20/77/12/529207712.db2.gz RVPYVRMLYZBIMR-SWLSCSKDSA-N 2 2 291.345 3.217 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459470897 535580676 /nfs/dbraw/zinc/58/06/76/535580676.db2.gz NCVGJXUQNGQFNN-AOCRQIFASA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459470897 535580681 /nfs/dbraw/zinc/58/06/81/535580681.db2.gz NCVGJXUQNGQFNN-AOCRQIFASA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000513494811 535783682 /nfs/dbraw/zinc/78/36/82/535783682.db2.gz JWULHNZRFYVZPR-ZFWWWQNUSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000513494811 535783683 /nfs/dbraw/zinc/78/36/83/535783683.db2.gz JWULHNZRFYVZPR-ZFWWWQNUSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000462816613 535783756 /nfs/dbraw/zinc/78/37/56/535783756.db2.gz MNIXJUIDYXUOEC-BBRMVZONSA-N 2 2 280.843 3.121 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)[C@@H](C)C1 ZINC000462816613 535783760 /nfs/dbraw/zinc/78/37/60/535783760.db2.gz MNIXJUIDYXUOEC-BBRMVZONSA-N 2 2 280.843 3.121 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(C)cs1 ZINC000459424160 535894003 /nfs/dbraw/zinc/89/40/03/535894003.db2.gz IPURGXXDWUQJJB-AWEZNQCLSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000396458343 572485515 /nfs/dbraw/zinc/48/55/15/572485515.db2.gz LCHATHAYVUELEF-JTQLQIEISA-N 2 2 287.329 3.243 20 0 CGADLP C[C@@H]1CC[N@H+](CCOc2ccc([NH2+]CC3CC3)cc2)C1 ZINC000744447498 572753686 /nfs/dbraw/zinc/75/36/86/572753686.db2.gz QGOMUSSSKBLEPJ-CQSZACIVSA-N 2 2 274.408 3.229 20 0 CGADLP C[C@@H]1CC[N@@H+](CCOc2ccc([NH2+]CC3CC3)cc2)C1 ZINC000744447498 572753690 /nfs/dbraw/zinc/75/36/90/572753690.db2.gz QGOMUSSSKBLEPJ-CQSZACIVSA-N 2 2 274.408 3.229 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000036335240 617688431 /nfs/dbraw/zinc/68/84/31/617688431.db2.gz AHKGSJYMPBRYMD-UHFFFAOYSA-N 2 2 261.413 3.039 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nccc4c3CCCC4)C2)[nH]1 ZINC000891724888 618264878 /nfs/dbraw/zinc/26/48/78/618264878.db2.gz JGYJLBVIPHCXNT-HNNXBMFYSA-N 2 2 296.418 3.063 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nccc4c3CCCC4)C2)[nH]1 ZINC000891724888 618264889 /nfs/dbraw/zinc/26/48/89/618264889.db2.gz JGYJLBVIPHCXNT-HNNXBMFYSA-N 2 2 296.418 3.063 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000892105434 618534310 /nfs/dbraw/zinc/53/43/10/618534310.db2.gz KXTSZOBVMHEGIT-CRAIPNDOSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000892105434 618534318 /nfs/dbraw/zinc/53/43/18/618534318.db2.gz KXTSZOBVMHEGIT-CRAIPNDOSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000892105434 618534328 /nfs/dbraw/zinc/53/43/28/618534328.db2.gz KXTSZOBVMHEGIT-CRAIPNDOSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000892105434 618534337 /nfs/dbraw/zinc/53/43/37/618534337.db2.gz KXTSZOBVMHEGIT-CRAIPNDOSA-N 2 2 289.467 3.195 20 0 CGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1C(F)F ZINC000892492683 618810222 /nfs/dbraw/zinc/81/02/22/618810222.db2.gz SOUGHAFOCGXBTJ-UHFFFAOYSA-N 2 2 298.352 3.480 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924572399 618854709 /nfs/dbraw/zinc/85/47/09/618854709.db2.gz KMGFGSBKTVKYKP-OLZOCXBDSA-N 2 2 279.428 3.207 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000924572399 618854711 /nfs/dbraw/zinc/85/47/11/618854711.db2.gz KMGFGSBKTVKYKP-OLZOCXBDSA-N 2 2 279.428 3.207 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccns2)CC1 ZINC000926773651 618879380 /nfs/dbraw/zinc/87/93/80/618879380.db2.gz DXRXRUBKMNTKFK-CYBMUJFWSA-N 2 2 281.469 3.304 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(C(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000892713721 618919024 /nfs/dbraw/zinc/91/90/24/618919024.db2.gz SCFFEFWAHYUDQM-NSHDSACASA-N 2 2 297.324 3.386 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892786497 618936244 /nfs/dbraw/zinc/93/62/44/618936244.db2.gz RRPHIOYPEBYWMK-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892786497 618936246 /nfs/dbraw/zinc/93/62/46/618936246.db2.gz RRPHIOYPEBYWMK-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP CCSc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925730284 619201056 /nfs/dbraw/zinc/20/10/56/619201056.db2.gz CRKHKBJPTCOEQO-CQSZACIVSA-N 2 2 264.438 3.029 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000925757707 619221243 /nfs/dbraw/zinc/22/12/43/619221243.db2.gz IGDHAWVBIDZIPD-LBPRGKRZSA-N 2 2 293.480 3.286 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1csc(Cl)c1 ZINC000925775209 619237783 /nfs/dbraw/zinc/23/77/83/619237783.db2.gz DRUVKEYZLHVSHU-PSASIEDQSA-N 2 2 294.798 3.297 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094369972 619244741 /nfs/dbraw/zinc/24/47/41/619244741.db2.gz DXWKVEAVVOSIFU-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094369970 619244900 /nfs/dbraw/zinc/24/49/00/619244900.db2.gz DXWKVEAVVOSIFU-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)c2ccccc21 ZINC000925820458 619266370 /nfs/dbraw/zinc/26/63/70/619266370.db2.gz FRJFHQSEJDMVFQ-KBAYOESNSA-N 2 2 279.387 3.267 20 0 CGADLP C[N@H+](Cc1nccc2c1CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417562 619528305 /nfs/dbraw/zinc/52/83/05/619528305.db2.gz QCVRQNIAKLKMGX-SJPCQFCGSA-N 2 2 299.462 3.017 20 0 CGADLP C[N@@H+](Cc1nccc2c1CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417562 619528309 /nfs/dbraw/zinc/52/83/09/619528309.db2.gz QCVRQNIAKLKMGX-SJPCQFCGSA-N 2 2 299.462 3.017 20 0 CGADLP C[NH+](Cc1nccc2c1CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417562 619528314 /nfs/dbraw/zinc/52/83/14/619528314.db2.gz QCVRQNIAKLKMGX-SJPCQFCGSA-N 2 2 299.462 3.017 20 0 CGADLP C[NH+](Cc1nccc2c1CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417562 619528318 /nfs/dbraw/zinc/52/83/18/619528318.db2.gz QCVRQNIAKLKMGX-SJPCQFCGSA-N 2 2 299.462 3.017 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000049127713 619700957 /nfs/dbraw/zinc/70/09/57/619700957.db2.gz QEQHQQCQQZLJBW-INIZCTEOSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110797 619734224 /nfs/dbraw/zinc/73/42/24/619734224.db2.gz XRHNBGIFOXEVLQ-VGWMRTNUSA-N 2 2 273.424 3.347 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cn1 ZINC000147754972 619897495 /nfs/dbraw/zinc/89/74/95/619897495.db2.gz AAKWJJCHZHITSV-DOMZBBRYSA-N 2 2 290.386 3.183 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000151685970 619898838 /nfs/dbraw/zinc/89/88/38/619898838.db2.gz CYYYKGJIVSMCII-UONOGXRCSA-N 2 2 272.502 3.371 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000067500925 620151680 /nfs/dbraw/zinc/15/16/80/620151680.db2.gz ILKPXBCLRXEGTB-OAHLLOKOSA-N 2 2 279.387 3.462 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cs1 ZINC000897982944 620462052 /nfs/dbraw/zinc/46/20/52/620462052.db2.gz SGKPLYGFLGEVGN-UHFFFAOYSA-N 2 2 264.438 3.163 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000924732125 620585738 /nfs/dbraw/zinc/58/57/38/620585738.db2.gz LOFLAFWJYGTPOZ-OWCLPIDISA-N 2 2 275.440 3.468 20 0 CGADLP CNc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000902087720 621140975 /nfs/dbraw/zinc/14/09/75/621140975.db2.gz WNKXDXLLUHBQRP-MRXNPFEDSA-N 2 2 286.423 3.129 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000902444158 621321795 /nfs/dbraw/zinc/32/17/95/621321795.db2.gz MRIJTKCDRZEWAY-SSKCKEOISA-N 2 2 270.351 3.101 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2c(s1)CCCC2 ZINC000902465002 621337676 /nfs/dbraw/zinc/33/76/76/621337676.db2.gz FLQQFPPXAQTUKH-SCUASFONSA-N 2 2 276.449 3.170 20 0 CGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841776 621470532 /nfs/dbraw/zinc/47/05/32/621470532.db2.gz SADVRQFGPBOFNW-OWCLPIDISA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902849184 621472818 /nfs/dbraw/zinc/47/28/18/621472818.db2.gz HYUDGXJNESRFTD-OAGGEKHMSA-N 2 2 299.418 3.338 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCS1 ZINC000903284091 621651129 /nfs/dbraw/zinc/65/11/29/621651129.db2.gz VNWMOVVHRPXPTC-RBSFLKMASA-N 2 2 282.497 3.267 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCS1 ZINC000903284091 621651134 /nfs/dbraw/zinc/65/11/34/621651134.db2.gz VNWMOVVHRPXPTC-RBSFLKMASA-N 2 2 282.497 3.267 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)[C@@H](C)C1 ZINC000903267172 621653761 /nfs/dbraw/zinc/65/37/61/621653761.db2.gz BDJUTMAXKCDYGZ-GXTWGEPZSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)[C@@H](C)C1 ZINC000903267172 621653765 /nfs/dbraw/zinc/65/37/65/621653765.db2.gz BDJUTMAXKCDYGZ-GXTWGEPZSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H](C)C1 ZINC000903267173 621654079 /nfs/dbraw/zinc/65/40/79/621654079.db2.gz BDJUTMAXKCDYGZ-JSGCOSHPSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H](C)C1 ZINC000903267173 621654082 /nfs/dbraw/zinc/65/40/82/621654082.db2.gz BDJUTMAXKCDYGZ-JSGCOSHPSA-N 2 2 259.397 3.101 20 0 CGADLP c1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]C2)c2ccccn2)cc1 ZINC000903740692 621801033 /nfs/dbraw/zinc/80/10/33/621801033.db2.gz JVJMSVXYAVXABW-QFBILLFUSA-N 2 2 295.430 3.150 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903893123 621827771 /nfs/dbraw/zinc/82/77/71/621827771.db2.gz QQYMAFRGIGTFHU-DGCLKSJQSA-N 2 2 288.769 3.112 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903893123 621827772 /nfs/dbraw/zinc/82/77/72/621827772.db2.gz QQYMAFRGIGTFHU-DGCLKSJQSA-N 2 2 288.769 3.112 20 0 CGADLP CC(C)[NH2+]Cc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904848290 622006962 /nfs/dbraw/zinc/00/69/62/622006962.db2.gz BAJDMHNHQAVQON-UHFFFAOYSA-N 2 2 269.392 3.313 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838988645 626291856 /nfs/dbraw/zinc/29/18/56/626291856.db2.gz JNSHLXQZEVFSLH-FAEJEUNOSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838988645 626291858 /nfs/dbraw/zinc/29/18/58/626291858.db2.gz JNSHLXQZEVFSLH-FAEJEUNOSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753611927 626458716 /nfs/dbraw/zinc/45/87/16/626458716.db2.gz PVRAPMLYFMNVFQ-HZPDHXFCSA-N 2 2 290.451 3.447 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753611927 626458718 /nfs/dbraw/zinc/45/87/18/626458718.db2.gz PVRAPMLYFMNVFQ-HZPDHXFCSA-N 2 2 290.451 3.447 20 0 CGADLP COC1(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCC1 ZINC000759969275 626933416 /nfs/dbraw/zinc/93/34/16/626933416.db2.gz IXMPYHJOUOFWRC-HUUCEWRRSA-N 2 2 293.455 3.235 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871624 627230994 /nfs/dbraw/zinc/23/09/94/627230994.db2.gz XZBIJPXXTANXMK-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764964211 627234580 /nfs/dbraw/zinc/23/45/80/627234580.db2.gz HADYDNAXDIGLHJ-BZSNNMDCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764964211 627234582 /nfs/dbraw/zinc/23/45/82/627234582.db2.gz HADYDNAXDIGLHJ-BZSNNMDCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC2 ZINC000766272418 627310177 /nfs/dbraw/zinc/31/01/77/627310177.db2.gz XBMSJYHFUJBYIK-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC2 ZINC000766272418 627310180 /nfs/dbraw/zinc/31/01/80/627310180.db2.gz XBMSJYHFUJBYIK-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)s1 ZINC000766275651 627310963 /nfs/dbraw/zinc/31/09/63/627310963.db2.gz YGTXALSMNOYDBR-YPMHNXCESA-N 2 2 266.454 3.500 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)s1 ZINC000766275651 627310964 /nfs/dbraw/zinc/31/09/64/627310964.db2.gz YGTXALSMNOYDBR-YPMHNXCESA-N 2 2 266.454 3.500 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766273522 627310998 /nfs/dbraw/zinc/31/09/98/627310998.db2.gz QBPHZNLZUPWNOJ-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766273522 627310999 /nfs/dbraw/zinc/31/09/99/627310999.db2.gz QBPHZNLZUPWNOJ-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000768200551 627467924 /nfs/dbraw/zinc/46/79/24/627467924.db2.gz OKKOZWDELPETFG-ZBFHGGJFSA-N 2 2 286.423 3.352 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000768200548 627467968 /nfs/dbraw/zinc/46/79/68/627467968.db2.gz OKKOZWDELPETFG-GDBMZVCRSA-N 2 2 286.423 3.352 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471048 627557163 /nfs/dbraw/zinc/55/71/63/627557163.db2.gz QFZJANRICDABPK-MLGOLLRUSA-N 2 2 264.413 3.201 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471048 627557166 /nfs/dbraw/zinc/55/71/66/627557166.db2.gz QFZJANRICDABPK-MLGOLLRUSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471048 627557169 /nfs/dbraw/zinc/55/71/69/627557169.db2.gz QFZJANRICDABPK-MLGOLLRUSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471048 627557174 /nfs/dbraw/zinc/55/71/74/627557174.db2.gz QFZJANRICDABPK-MLGOLLRUSA-N 2 2 264.413 3.201 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774121531 627948424 /nfs/dbraw/zinc/94/84/24/627948424.db2.gz XTBMGPVJIXNUDE-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C ZINC000774121525 627948452 /nfs/dbraw/zinc/94/84/52/627948452.db2.gz XTBMGPVJIXNUDE-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000774443392 627991486 /nfs/dbraw/zinc/99/14/86/627991486.db2.gz PVEMUDVPILOONX-PBHICJAKSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000774443392 627991489 /nfs/dbraw/zinc/99/14/89/627991489.db2.gz PVEMUDVPILOONX-PBHICJAKSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000775953020 628153423 /nfs/dbraw/zinc/15/34/23/628153423.db2.gz ZHFJSLHSJZWGIZ-SJORKVTESA-N 2 2 274.452 3.329 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000782530296 628652962 /nfs/dbraw/zinc/65/29/62/628652962.db2.gz WSUXIAJNWOYKNJ-HZSPNIEDSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000782530296 628652963 /nfs/dbraw/zinc/65/29/63/628652963.db2.gz WSUXIAJNWOYKNJ-HZSPNIEDSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000783280040 628697898 /nfs/dbraw/zinc/69/78/98/628697898.db2.gz QGGIFCWKNZQWIC-KBXCAEBGSA-N 2 2 287.451 3.427 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788499923 629059939 /nfs/dbraw/zinc/05/99/39/629059939.db2.gz XBDJSNCUEHJXJJ-ZDUSSCGKSA-N 2 2 281.831 3.044 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000790049270 629179828 /nfs/dbraw/zinc/17/98/28/629179828.db2.gz NSAUFYKEVHRUGN-FUHWJXTLSA-N 2 2 286.463 3.426 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc2c(c1)CCCO2 ZINC000863543613 629603018 /nfs/dbraw/zinc/60/30/18/629603018.db2.gz SLDCUVKVVPWQBV-YESZJQIVSA-N 2 2 288.435 3.193 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000863548680 629605246 /nfs/dbraw/zinc/60/52/46/629605246.db2.gz RLQWAHIVSKEHFV-COLVAYQJSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000796315745 629762964 /nfs/dbraw/zinc/76/29/64/629762964.db2.gz MEIPQUFGXZAYOF-ADQTWTKMSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000796315745 629762966 /nfs/dbraw/zinc/76/29/66/629762966.db2.gz MEIPQUFGXZAYOF-ADQTWTKMSA-N 2 2 280.362 3.052 20 0 CGADLP Cl/C=C/C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438301 629781435 /nfs/dbraw/zinc/78/14/35/629781435.db2.gz UVEYLKCHYNUYSS-MDGVGCGJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438301 629781442 /nfs/dbraw/zinc/78/14/42/629781442.db2.gz UVEYLKCHYNUYSS-MDGVGCGJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796438301 629781449 /nfs/dbraw/zinc/78/14/49/629781449.db2.gz UVEYLKCHYNUYSS-MDGVGCGJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438301 629781455 /nfs/dbraw/zinc/78/14/55/629781455.db2.gz UVEYLKCHYNUYSS-MDGVGCGJSA-N 2 2 290.838 3.337 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cnc12 ZINC000865416099 630111298 /nfs/dbraw/zinc/11/12/98/630111298.db2.gz TVVSLIRYVRKYSJ-SJORKVTESA-N 2 2 299.393 3.090 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cnc12 ZINC000865416099 630111302 /nfs/dbraw/zinc/11/13/02/630111302.db2.gz TVVSLIRYVRKYSJ-SJORKVTESA-N 2 2 299.393 3.090 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000865573236 630195151 /nfs/dbraw/zinc/19/51/51/630195151.db2.gz DHIXSVNLSICPSQ-CQSZACIVSA-N 2 2 299.418 3.234 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000800473955 630282892 /nfs/dbraw/zinc/28/28/92/630282892.db2.gz FAIMQYFXGPDMAZ-FUHWJXTLSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCC2 ZINC000800477615 630284479 /nfs/dbraw/zinc/28/44/79/630284479.db2.gz ZKDQQBHYKLLUFC-KGLIPLIRSA-N 2 2 261.413 3.220 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H]3CCCC[C@@H]3C1)C2 ZINC000810253776 630859950 /nfs/dbraw/zinc/85/99/50/630859950.db2.gz DDLFBTPNIXNTIF-GBJTYRQASA-N 2 2 273.424 3.216 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000815558989 631795029 /nfs/dbraw/zinc/79/50/29/631795029.db2.gz UHSCHJJUXKOKJV-OLZOCXBDSA-N 2 2 261.344 3.070 20 0 CGADLP CC(C)(C[NH2+]Cc1ccnc(Cl)c1F)C[NH+]1CCCC1 ZINC000824281782 633222646 /nfs/dbraw/zinc/22/26/46/633222646.db2.gz KKKVHDYYSUCHBJ-UHFFFAOYSA-N 2 2 299.821 3.086 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[NH2+]CCC3(C)C)on2)cc1 ZINC000866700189 633233467 /nfs/dbraw/zinc/23/34/67/633233467.db2.gz SBVIMWMIQMXALZ-UHFFFAOYSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CC[NH2+]CCC3(C)C)on2)cc1 ZINC000866700189 633233475 /nfs/dbraw/zinc/23/34/75/633233475.db2.gz SBVIMWMIQMXALZ-UHFFFAOYSA-N 2 2 299.418 3.224 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872017921 633938218 /nfs/dbraw/zinc/93/82/18/633938218.db2.gz GZNXXXWUIBDTBO-GFCCVEGCSA-N 2 2 280.387 3.056 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2S1 ZINC000872017372 633938553 /nfs/dbraw/zinc/93/85/53/633938553.db2.gz ANMNJQOXKVNSQF-AWEZNQCLSA-N 2 2 287.432 3.488 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCCc3ccccc3C1)C2 ZINC000872074206 633997500 /nfs/dbraw/zinc/99/75/00/633997500.db2.gz YWIDYVHLGFRZOF-IRXDYDNUSA-N 2 2 295.430 3.194 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102978 634023767 /nfs/dbraw/zinc/02/37/67/634023767.db2.gz VMIFZWWUPKTUCC-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP CCSc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873232109 634294546 /nfs/dbraw/zinc/29/45/46/634294546.db2.gz VZHZUBOAOATEMT-JKSUJKDBSA-N 2 2 276.449 3.173 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873237577 634296590 /nfs/dbraw/zinc/29/65/90/634296590.db2.gz RCQJNDYWYUJLDS-HZPDHXFCSA-N 2 2 275.440 3.291 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C ZINC000840717834 635041253 /nfs/dbraw/zinc/04/12/53/635041253.db2.gz UEKMASBSLHULDY-XYPHTWIQSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H]1C ZINC000840717828 635041641 /nfs/dbraw/zinc/04/16/41/635041641.db2.gz UEKMASBSLHULDY-JQFCIGGWSA-N 2 2 269.392 3.397 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CSC[C@H]4C3)cc2)c[nH+]1 ZINC000877736718 635169890 /nfs/dbraw/zinc/16/98/90/635169890.db2.gz AQFTUNUVBHVOMA-HZPDHXFCSA-N 2 2 299.443 3.057 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CSC[C@H]4C3)cc2)c[nH+]1 ZINC000877736718 635169895 /nfs/dbraw/zinc/16/98/95/635169895.db2.gz AQFTUNUVBHVOMA-HZPDHXFCSA-N 2 2 299.443 3.057 20 0 CGADLP CC(C)(C)SCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878173496 635395446 /nfs/dbraw/zinc/39/54/46/635395446.db2.gz XZIUEJUMHAZLOZ-UHFFFAOYSA-N 2 2 281.469 3.442 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000879286420 635746945 /nfs/dbraw/zinc/74/69/45/635746945.db2.gz BKZSNIFCZYZSHM-UHFFFAOYSA-N 2 2 294.414 3.011 20 0 CGADLP CC(C)OCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570965 636023630 /nfs/dbraw/zinc/02/36/30/636023630.db2.gz LKSNOGPMZVVJEC-QGZVFWFLSA-N 2 2 287.407 3.029 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880570930 636023777 /nfs/dbraw/zinc/02/37/77/636023777.db2.gz ZWHYWRHIVKPTOJ-HYVNUMGLSA-N 2 2 269.392 3.403 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128835174 636079461 /nfs/dbraw/zinc/07/94/61/636079461.db2.gz ILDZRISWZUSFBG-SJLPKXTDSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128835174 636079464 /nfs/dbraw/zinc/07/94/64/636079464.db2.gz ILDZRISWZUSFBG-SJLPKXTDSA-N 2 2 285.435 3.326 20 0 CGADLP c1cnc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2c1 ZINC000848574386 636612413 /nfs/dbraw/zinc/61/24/13/636612413.db2.gz DOGCIXGMMOUQBM-HKUYNNGSSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000848574386 636612418 /nfs/dbraw/zinc/61/24/18/636612418.db2.gz DOGCIXGMMOUQBM-HKUYNNGSSA-N 2 2 295.430 3.341 20 0 CGADLP [NH3+]CCCCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000848600357 636617851 /nfs/dbraw/zinc/61/78/51/636617851.db2.gz CFHQVKNWYCYIMZ-UHFFFAOYSA-N 2 2 268.351 3.190 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927774 636700069 /nfs/dbraw/zinc/70/00/69/636700069.db2.gz NKUBUAXSWDJRRC-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848927774 636700071 /nfs/dbraw/zinc/70/00/71/636700071.db2.gz NKUBUAXSWDJRRC-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386153 636726887 /nfs/dbraw/zinc/72/68/87/636726887.db2.gz AMCOWDOAJDKPDI-GOEBONIOSA-N 2 2 257.381 3.259 20 0 CGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)sn1 ZINC000883397405 636740261 /nfs/dbraw/zinc/74/02/61/636740261.db2.gz LRZNDZPEKFNYSS-INIZCTEOSA-N 2 2 298.415 3.179 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428619 636751972 /nfs/dbraw/zinc/75/19/72/636751972.db2.gz YNWLXUHSJBHYLC-HRCADAONSA-N 2 2 294.389 3.239 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428619 636751975 /nfs/dbraw/zinc/75/19/75/636751975.db2.gz YNWLXUHSJBHYLC-HRCADAONSA-N 2 2 294.389 3.239 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)(C)C(F)F ZINC000850426243 637057175 /nfs/dbraw/zinc/05/71/75/637057175.db2.gz SQWITWMIEKMCKQ-NWDGAFQWSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H](CSCCF)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000850429909 637058118 /nfs/dbraw/zinc/05/81/18/637058118.db2.gz UJLLKUSFJQBQRM-CYBMUJFWSA-N 2 2 293.411 3.053 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000886168116 637445099 /nfs/dbraw/zinc/44/50/99/637445099.db2.gz JAGYARDMBNAXHB-BPQIPLTHSA-N 2 2 294.483 3.331 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000886168116 637445113 /nfs/dbraw/zinc/44/51/13/637445113.db2.gz JAGYARDMBNAXHB-BPQIPLTHSA-N 2 2 294.483 3.331 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000886716323 637670130 /nfs/dbraw/zinc/67/01/30/637670130.db2.gz VWQKMILFCDNZGL-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000852755815 637707130 /nfs/dbraw/zinc/70/71/30/637707130.db2.gz GHKTVTPJJLSHST-CDWSIMAYSA-N 2 2 284.325 3.190 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000852755815 637707132 /nfs/dbraw/zinc/70/71/32/637707132.db2.gz GHKTVTPJJLSHST-CDWSIMAYSA-N 2 2 284.325 3.190 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874362 637716106 /nfs/dbraw/zinc/71/61/06/637716106.db2.gz MMMSSIFJJFXPPE-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874362 637716110 /nfs/dbraw/zinc/71/61/10/637716110.db2.gz MMMSSIFJJFXPPE-MRXNPFEDSA-N 2 2 294.826 3.011 20 0 CGADLP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC000924539109 638355369 /nfs/dbraw/zinc/35/53/69/638355369.db2.gz ATCMDGJUGSPJQU-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000924662149 638385605 /nfs/dbraw/zinc/38/56/05/638385605.db2.gz SQVLRFRBOUDBPO-TVFCKZIOSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000924662149 638385608 /nfs/dbraw/zinc/38/56/08/638385608.db2.gz SQVLRFRBOUDBPO-TVFCKZIOSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC000925483630 638508971 /nfs/dbraw/zinc/50/89/71/638508971.db2.gz WHXCGUWGLCANSV-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925553345 638527844 /nfs/dbraw/zinc/52/78/44/638527844.db2.gz PAPPJETZTGNRFC-PBHICJAKSA-N 2 2 288.435 3.409 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925640299 638553722 /nfs/dbraw/zinc/55/37/22/638553722.db2.gz RMTLJCOKQOECOV-HIFRSBDPSA-N 2 2 276.449 3.390 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925732261 638586267 /nfs/dbraw/zinc/58/62/67/638586267.db2.gz PGVVKRUTZBJXDS-VKDMSYRKSA-N 2 2 295.430 3.308 20 0 CGADLP CC(C)([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000925737093 638589443 /nfs/dbraw/zinc/58/94/43/638589443.db2.gz FAAAYDBWVRVHEW-INIZCTEOSA-N 2 2 287.382 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2[nH]1 ZINC000926223808 638746461 /nfs/dbraw/zinc/74/64/61/638746461.db2.gz FIIBMXQXYMPJLQ-JSGCOSHPSA-N 2 2 280.375 3.030 20 0 CGADLP Cc1cscc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926305396 638760994 /nfs/dbraw/zinc/76/09/94/638760994.db2.gz ZVPCQAVPYBMSCW-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cscc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926305396 638760998 /nfs/dbraw/zinc/76/09/98/638760998.db2.gz ZVPCQAVPYBMSCW-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926367948 638767025 /nfs/dbraw/zinc/76/70/25/638767025.db2.gz XMSRWBFDVLQPOE-HUUCEWRRSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926367948 638767026 /nfs/dbraw/zinc/76/70/26/638767026.db2.gz XMSRWBFDVLQPOE-HUUCEWRRSA-N 2 2 286.410 3.418 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926425813 638770211 /nfs/dbraw/zinc/77/02/11/638770211.db2.gz LYUMGUWPTNHFKP-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926425813 638770213 /nfs/dbraw/zinc/77/02/13/638770213.db2.gz LYUMGUWPTNHFKP-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C1CC1 ZINC000929756653 638947460 /nfs/dbraw/zinc/94/74/60/638947460.db2.gz VXTJTWAEUMJOOJ-OAHLLOKOSA-N 2 2 287.451 3.418 20 0 CGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C1CC1 ZINC000929756653 638947463 /nfs/dbraw/zinc/94/74/63/638947463.db2.gz VXTJTWAEUMJOOJ-OAHLLOKOSA-N 2 2 287.451 3.418 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785515 638950999 /nfs/dbraw/zinc/95/09/99/638950999.db2.gz AYCYCTUSXPDDFV-BDJLRTHQSA-N 2 2 255.365 3.220 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785515 638951000 /nfs/dbraw/zinc/95/10/00/638951000.db2.gz AYCYCTUSXPDDFV-BDJLRTHQSA-N 2 2 255.365 3.220 20 0 CGADLP C[N@@H+]1C[C@]2(C)C[NH+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133786 /nfs/dbraw/zinc/13/37/86/639133786.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 2 2 292.854 3.156 20 0 CGADLP C[N@H+]1C[C@]2(C)C[NH+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133791 /nfs/dbraw/zinc/13/37/91/639133791.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 2 2 292.854 3.156 20 0 CGADLP C[NH+]1C[C@]2(C)C[N@H+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133794 /nfs/dbraw/zinc/13/37/94/639133794.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 2 2 292.854 3.156 20 0 CGADLP C[NH+]1C[C@]2(C)C[N@@H+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133801 /nfs/dbraw/zinc/13/38/01/639133801.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 2 2 292.854 3.156 20 0 CGADLP C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000934772285 639674296 /nfs/dbraw/zinc/67/42/96/639674296.db2.gz DVBFVLVHMMWTPF-WBVHZDCISA-N 2 2 299.443 3.057 20 0 CGADLP C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000934772285 639674299 /nfs/dbraw/zinc/67/42/99/639674299.db2.gz DVBFVLVHMMWTPF-WBVHZDCISA-N 2 2 299.443 3.057 20 0 CGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000093465050 640772484 /nfs/dbraw/zinc/77/24/84/640772484.db2.gz ZFXOSXNRDWPNCQ-GRYCIOLGSA-N 2 2 268.351 3.146 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000252426084 640844230 /nfs/dbraw/zinc/84/42/30/640844230.db2.gz RZTGZWGRXLWLAI-WBVHZDCISA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000252426084 640844232 /nfs/dbraw/zinc/84/42/32/640844232.db2.gz RZTGZWGRXLWLAI-WBVHZDCISA-N 2 2 290.451 3.090 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135858 640858806 /nfs/dbraw/zinc/85/88/06/640858806.db2.gz KGIRBRPYONKCOR-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415135858 640858808 /nfs/dbraw/zinc/85/88/08/640858808.db2.gz KGIRBRPYONKCOR-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP CCC[C@H](CC)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257249610 807068860 /nfs/dbraw/zinc/06/88/60/807068860.db2.gz RUWCKUKXSDXGFL-LBPRGKRZSA-N 2 2 255.431 3.135 20 0 CGADLP Cc1c[nH+]c(NCCc2cn3ccccc3[nH+]2)cc1C ZINC001158145193 805924450 /nfs/dbraw/zinc/92/44/50/805924450.db2.gz KDODLBYPNIEKLJ-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP COc1ccc2ccc(NCC34CC[NH+](CC3)CC4)[nH+]c2c1 ZINC001158827129 806009454 /nfs/dbraw/zinc/00/94/54/806009454.db2.gz OORXLLOQAGFPIC-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP CN(C)c1ccc(Nc2ccc(C(C)(C)[NH3+])cc2)c[nH+]1 ZINC001159112557 806044148 /nfs/dbraw/zinc/04/41/48/806044148.db2.gz AYVZQOBBEWGXIQ-UHFFFAOYSA-N 2 2 270.380 3.085 20 0 CGADLP Cc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C ZINC001159321072 806081481 /nfs/dbraw/zinc/08/14/81/806081481.db2.gz AICLURNTBQXYFN-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP c1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)[nH+]c(C2CC2)c1 ZINC001159365980 806087689 /nfs/dbraw/zinc/08/76/89/806087689.db2.gz OVPYEOUHNVNNJI-UHFFFAOYSA-N 2 2 294.402 3.112 20 0 CGADLP Cc1cc(Nc2ccc(CC[NH3+])cc2)ccc1[NH+](C)C ZINC001159639779 806139658 /nfs/dbraw/zinc/13/96/58/806139658.db2.gz FLWAYHVSCAYPRW-UHFFFAOYSA-N 2 2 269.392 3.306 20 0 CGADLP [NH3+]CCc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001159639898 806139797 /nfs/dbraw/zinc/13/97/97/806139797.db2.gz IUXHDKDKGCZJTA-UHFFFAOYSA-N 2 2 296.418 3.317 20 0 CGADLP Cc1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)[nH+]c1 ZINC001159776450 806170904 /nfs/dbraw/zinc/17/09/04/806170904.db2.gz UWMJWKQLAKOIGQ-AWEZNQCLSA-N 2 2 253.349 3.211 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc(C2CC2)[nH+]1 ZINC001160476156 806277112 /nfs/dbraw/zinc/27/71/12/806277112.db2.gz RUQMCSWECRZHCC-QKDCVEJESA-N 2 2 286.423 3.090 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc(C2CC2)[nH+]1 ZINC001160476156 806277120 /nfs/dbraw/zinc/27/71/20/806277120.db2.gz RUQMCSWECRZHCC-QKDCVEJESA-N 2 2 286.423 3.090 20 0 CGADLP COc1cc(Nc2cccc(CC[NH3+])c2)[nH+]c2ccccc21 ZINC001161077190 806346681 /nfs/dbraw/zinc/34/66/81/806346681.db2.gz NWHDAMKOFDSAKA-UHFFFAOYSA-N 2 2 293.370 3.488 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH+](C)CC1 ZINC001254532471 806444162 /nfs/dbraw/zinc/44/41/62/806444162.db2.gz SWIREHQPKUDGAQ-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[NH+](C)CC1 ZINC001254532471 806444165 /nfs/dbraw/zinc/44/41/65/806444165.db2.gz SWIREHQPKUDGAQ-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@H]1CCC[N@H+](C)CC1 ZINC001254532471 806444169 /nfs/dbraw/zinc/44/41/69/806444169.db2.gz SWIREHQPKUDGAQ-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532471 806444172 /nfs/dbraw/zinc/44/41/72/806444172.db2.gz SWIREHQPKUDGAQ-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP c1ccc(C2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254846874 806497560 /nfs/dbraw/zinc/49/75/60/806497560.db2.gz XFUWRIVTVOEMNB-KRWDZBQOSA-N 2 2 270.420 3.140 20 0 CGADLP COc1cc[nH+]cc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005200 806498589 /nfs/dbraw/zinc/49/85/89/806498589.db2.gz AELZMVVWJNXDLF-UHFFFAOYSA-N 2 2 293.370 3.340 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861304 806500411 /nfs/dbraw/zinc/50/04/11/806500411.db2.gz FZMOPICLARLQEF-MSOLQXFVSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861304 806500416 /nfs/dbraw/zinc/50/04/16/806500416.db2.gz FZMOPICLARLQEF-MSOLQXFVSA-N 2 2 288.410 3.447 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1C ZINC001254853527 806500806 /nfs/dbraw/zinc/50/08/06/806500806.db2.gz XMUKWAOIIFMSRZ-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001162455012 806587705 /nfs/dbraw/zinc/58/77/05/806587705.db2.gz RJBYRZRPORECHD-PBHICJAKSA-N 2 2 296.418 3.191 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)cc(OC(F)F)[nH+]1 ZINC001162472448 806593907 /nfs/dbraw/zinc/59/39/07/806593907.db2.gz XPXCLLYROGIHHK-JQWIXIFHSA-N 2 2 299.365 3.039 20 0 CGADLP FC(F)(F)C1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001255521846 806661429 /nfs/dbraw/zinc/66/14/29/806661429.db2.gz FNWJFLOLFMPCCR-UHFFFAOYSA-N 2 2 290.373 3.278 20 0 CGADLP Cc1cc(NC2CC3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001162981698 806688927 /nfs/dbraw/zinc/68/89/27/806688927.db2.gz MYWJWPANZDVVMB-UHFFFAOYSA-N 2 2 281.403 3.487 20 0 CGADLP CCC[C@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037155998 798859975 /nfs/dbraw/zinc/85/99/75/798859975.db2.gz ZPEXDIKWCRHIJT-UONOGXRCSA-N 2 2 251.418 3.324 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213911 798861622 /nfs/dbraw/zinc/86/16/22/798861622.db2.gz QAHRTTAKFMCWRG-IRXDYDNUSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213911 798861630 /nfs/dbraw/zinc/86/16/30/798861630.db2.gz QAHRTTAKFMCWRG-IRXDYDNUSA-N 2 2 288.435 3.147 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037320102 798866064 /nfs/dbraw/zinc/86/60/64/798866064.db2.gz SYSMPSPXUPYQCZ-KGLIPLIRSA-N 2 2 251.418 3.466 20 0 CGADLP c1cn2cc(CNc3ccc4c([nH+]3)CCCC4)ccc2[nH+]1 ZINC001163137064 806704414 /nfs/dbraw/zinc/70/44/14/806704414.db2.gz YIIXRYAVTJFFMQ-UHFFFAOYSA-N 2 2 278.359 3.220 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000342937282 799291950 /nfs/dbraw/zinc/29/19/50/799291950.db2.gz GTUOQTOGHZTRCO-ZBFHGGJFSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000342937282 799291959 /nfs/dbraw/zinc/29/19/59/799291959.db2.gz GTUOQTOGHZTRCO-ZBFHGGJFSA-N 2 2 269.392 3.489 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000384208842 799414577 /nfs/dbraw/zinc/41/45/77/799414577.db2.gz BITJJCJVOQAWRK-UHFFFAOYSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221527 799537030 /nfs/dbraw/zinc/53/70/30/799537030.db2.gz JEUAEKKOUJLVCR-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221527 799537033 /nfs/dbraw/zinc/53/70/33/799537033.db2.gz JEUAEKKOUJLVCR-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403502827 799566589 /nfs/dbraw/zinc/56/65/89/799566589.db2.gz IGRJZMPRUNNMLO-JALIKCBVSA-N 2 2 293.480 3.314 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000689405681 799764651 /nfs/dbraw/zinc/76/46/51/799764651.db2.gz IUFGWSMUWCTVHR-MCIONIFRSA-N 2 2 281.469 3.172 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000692978833 799806288 /nfs/dbraw/zinc/80/62/88/799806288.db2.gz RSTCQOGIYFHPPO-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000692978833 799806298 /nfs/dbraw/zinc/80/62/98/799806298.db2.gz RSTCQOGIYFHPPO-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[C@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077385 806814520 /nfs/dbraw/zinc/81/45/20/806814520.db2.gz NQJVEUYNALIWKP-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP CCC[C@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077385 806814529 /nfs/dbraw/zinc/81/45/29/806814529.db2.gz NQJVEUYNALIWKP-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP c1ccc([C@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC001256104284 806819865 /nfs/dbraw/zinc/81/98/65/806819865.db2.gz ZJQYEHSHGNRHIO-ZWKOTPCHSA-N 2 2 272.436 3.398 20 0 CGADLP CC1CC[NH+](CC[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000723468590 800328953 /nfs/dbraw/zinc/32/89/53/800328953.db2.gz OVUJYLVSSGMESE-UHFFFAOYSA-N 2 2 274.452 3.286 20 0 CGADLP COc1cccc(C[C@@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)c1 ZINC001256157964 806838129 /nfs/dbraw/zinc/83/81/29/806838129.db2.gz YQCQVPRTXMKROG-CQSZACIVSA-N 2 2 295.386 3.064 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001256197206 806848232 /nfs/dbraw/zinc/84/82/32/806848232.db2.gz BVEOSBSCHMVIHQ-UHFFFAOYSA-N 2 2 298.352 3.378 20 0 CGADLP Cn1c[nH+]c2ccc(NCc3cccc(C[NH+](C)C)c3)cc21 ZINC001163994096 806870558 /nfs/dbraw/zinc/87/05/58/806870558.db2.gz DDUFUYABGPSDOT-UHFFFAOYSA-N 2 2 294.402 3.247 20 0 CGADLP Cc1cc(NCc2cccc(C[NH+](C)C)c2)c[nH+]c1C ZINC001163994888 806870623 /nfs/dbraw/zinc/87/06/23/806870623.db2.gz SXOPIEUTHXEMBK-UHFFFAOYSA-N 2 2 269.392 3.372 20 0 CGADLP CC(C)CC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001256370879 806874755 /nfs/dbraw/zinc/87/47/55/806874755.db2.gz DCADCTNNGBNNKJ-OAHLLOKOSA-N 2 2 275.440 3.465 20 0 CGADLP Cc1cc[nH+]c(C)c1-c1cccc(OCC[NH+](C)C)c1 ZINC001243752422 802983633 /nfs/dbraw/zinc/98/36/33/802983633.db2.gz SGFDHARLZWGPHD-UHFFFAOYSA-N 2 2 270.376 3.306 20 0 CGADLP Oc1cc(Cl)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244469805 803386044 /nfs/dbraw/zinc/38/60/44/803386044.db2.gz UDAOFLUXWNEJSW-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP CNc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001244974122 803599816 /nfs/dbraw/zinc/59/98/16/803599816.db2.gz XZTXQSCZUKUXCS-UHFFFAOYSA-N 2 2 297.402 3.059 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cc(C)ccc12)C1CC[NH+](C)CC1 ZINC001136973414 803664651 /nfs/dbraw/zinc/66/46/51/803664651.db2.gz XXNURXVUJJKRNV-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cc(C)ccc12)C1CC[NH+](C)CC1 ZINC001136973414 803664655 /nfs/dbraw/zinc/66/46/55/803664655.db2.gz XXNURXVUJJKRNV-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+]Cc1cc(F)c(Cl)cc1Cl ZINC001246075624 804114597 /nfs/dbraw/zinc/11/45/97/804114597.db2.gz JINOIATZUBHEBA-MRVPVSSYSA-N 2 2 279.186 3.220 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246080735 804117192 /nfs/dbraw/zinc/11/71/92/804117192.db2.gz NYQVPWCQFCEARI-OBJOEFQTSA-N 2 2 282.428 3.036 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246091309 804122024 /nfs/dbraw/zinc/12/20/24/804122024.db2.gz OWRPDBVXAAORTB-ZNMIVQPWSA-N 2 2 268.420 3.169 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139206011 804162447 /nfs/dbraw/zinc/16/24/47/804162447.db2.gz XDHZRIRHNATIGA-UHFFFAOYSA-N 2 2 299.462 3.485 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246141034 804163250 /nfs/dbraw/zinc/16/32/50/804163250.db2.gz JEHFUZFWBCPUDT-SVGFKBNWSA-N 2 2 258.409 3.258 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246146020 804166694 /nfs/dbraw/zinc/16/66/94/804166694.db2.gz BJKXCVOZYGNXGW-LUKYLMHMSA-N 2 2 282.472 3.235 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CC1(C)C ZINC001139361834 804183131 /nfs/dbraw/zinc/18/31/31/804183131.db2.gz AMENMKLFXUSHMV-OAHLLOKOSA-N 2 2 269.392 3.350 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CC1(C)C ZINC001139361834 804183139 /nfs/dbraw/zinc/18/31/39/804183139.db2.gz AMENMKLFXUSHMV-OAHLLOKOSA-N 2 2 269.392 3.350 20 0 CGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246187067 804198771 /nfs/dbraw/zinc/19/87/71/804198771.db2.gz LJDUFNXHEVAUCY-MLGOLLRUSA-N 2 2 294.414 3.091 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]1 ZINC001246230260 804224128 /nfs/dbraw/zinc/22/41/28/804224128.db2.gz FLHGESCHNYTOMC-ZFWWWQNUSA-N 2 2 284.806 3.345 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246232604 804224773 /nfs/dbraw/zinc/22/47/73/804224773.db2.gz KAIAJSWFIXRLCB-WDEREUQCSA-N 2 2 288.769 3.238 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1CC ZINC001139619212 804231644 /nfs/dbraw/zinc/23/16/44/804231644.db2.gz ZQJSDGGISIQZEZ-UHFFFAOYSA-N 2 2 290.451 3.174 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC001246278200 804253437 /nfs/dbraw/zinc/25/34/37/804253437.db2.gz FHNBTRLXMBAALX-PREGVCBESA-N 2 2 260.425 3.491 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246287805 804260638 /nfs/dbraw/zinc/26/06/38/804260638.db2.gz LGXLTCPTAXPXOJ-JLZZUVOBSA-N 2 2 276.399 3.397 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246302255 804268398 /nfs/dbraw/zinc/26/83/98/804268398.db2.gz XJHHLJJNQONKOT-GJZGRUSLSA-N 3 2 257.466 3.129 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)CC1 ZINC001246389061 804317815 /nfs/dbraw/zinc/31/78/15/804317815.db2.gz JNNWCOJTSLUYQJ-BOXKHOIUSA-N 2 2 294.483 3.090 20 0 CGADLP CCOC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027885 804355223 /nfs/dbraw/zinc/35/52/23/804355223.db2.gz FQGZCDMVQIIRAZ-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001246492044 804358596 /nfs/dbraw/zinc/35/85/96/804358596.db2.gz RVGAWHSUAOTHSM-LEWSCRJBSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246505445 804365328 /nfs/dbraw/zinc/36/53/28/804365328.db2.gz AOCZVUYBLYZHLO-OFLPRAFFSA-N 2 2 276.424 3.012 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246545573 804394505 /nfs/dbraw/zinc/39/45/05/804394505.db2.gz KQWLWXPPQSVTFS-UBHSHLNASA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246545573 804394514 /nfs/dbraw/zinc/39/45/14/804394514.db2.gz KQWLWXPPQSVTFS-UBHSHLNASA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559344 804408035 /nfs/dbraw/zinc/40/80/35/804408035.db2.gz PBLKJHIBOLGBGI-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559344 804408039 /nfs/dbraw/zinc/40/80/39/804408039.db2.gz PBLKJHIBOLGBGI-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571502 804418945 /nfs/dbraw/zinc/41/89/45/804418945.db2.gz UTBBTJWHGTXBIK-YUELXQCFSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571502 804418949 /nfs/dbraw/zinc/41/89/49/804418949.db2.gz UTBBTJWHGTXBIK-YUELXQCFSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608794 804443295 /nfs/dbraw/zinc/44/32/95/804443295.db2.gz JUZURODOIQUTHW-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608794 804443297 /nfs/dbraw/zinc/44/32/97/804443297.db2.gz JUZURODOIQUTHW-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649940 804477068 /nfs/dbraw/zinc/47/70/68/804477068.db2.gz RZODZQRIAQCXKV-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649940 804477070 /nfs/dbraw/zinc/47/70/70/804477070.db2.gz RZODZQRIAQCXKV-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649493 804477471 /nfs/dbraw/zinc/47/74/71/804477471.db2.gz BVTAKLQSTHJGSM-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649493 804477472 /nfs/dbraw/zinc/47/74/72/804477472.db2.gz BVTAKLQSTHJGSM-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246663453 804485020 /nfs/dbraw/zinc/48/50/20/804485020.db2.gz UZXCLXGPKSFRJH-XHBSWPGZSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001246663453 804485021 /nfs/dbraw/zinc/48/50/21/804485021.db2.gz UZXCLXGPKSFRJH-XHBSWPGZSA-N 2 2 296.817 3.094 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001246789256 804512905 /nfs/dbraw/zinc/51/29/05/804512905.db2.gz CJBSFYWTKDQLIR-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001246789256 804512909 /nfs/dbraw/zinc/51/29/09/804512909.db2.gz CJBSFYWTKDQLIR-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1F ZINC001140803140 804520371 /nfs/dbraw/zinc/52/03/71/804520371.db2.gz LKPGWKHWMZZRAQ-UHFFFAOYSA-N 2 2 269.323 3.334 20 0 CGADLP Clc1cnc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805521 804522502 /nfs/dbraw/zinc/52/25/02/804522502.db2.gz IELZTCGGRATOBC-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP Clc1cnc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805521 804522506 /nfs/dbraw/zinc/52/25/06/804522506.db2.gz IELZTCGGRATOBC-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP CC(C)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805146 804524233 /nfs/dbraw/zinc/52/42/33/804524233.db2.gz TYSKMUOOUJCSDJ-UHFFFAOYSA-N 2 2 257.381 3.431 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246815861 804532318 /nfs/dbraw/zinc/53/23/18/804532318.db2.gz YKJPYRGCNPZTCA-ZIAGYGMSSA-N 2 2 296.480 3.364 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246815861 804532320 /nfs/dbraw/zinc/53/23/20/804532320.db2.gz YKJPYRGCNPZTCA-ZIAGYGMSSA-N 2 2 296.480 3.364 20 0 CGADLP COc1ccccc1C1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246818952 804533333 /nfs/dbraw/zinc/53/33/33/804533333.db2.gz GJRAYGQPINBQGM-ZBFHGGJFSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819546 804533985 /nfs/dbraw/zinc/53/39/85/804533985.db2.gz JOFARLUDKXLRIU-JJXSEGSLSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819546 804533989 /nfs/dbraw/zinc/53/39/89/804533989.db2.gz JOFARLUDKXLRIU-JJXSEGSLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)C[NH2+]1 ZINC001246821993 804534998 /nfs/dbraw/zinc/53/49/98/804534998.db2.gz JXVDCAGQDHJURX-YOEHRIQHSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846690 804556665 /nfs/dbraw/zinc/55/66/65/804556665.db2.gz POCITOPDQOXZRX-QAPCUYQASA-N 2 2 287.451 3.357 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846690 804556672 /nfs/dbraw/zinc/55/66/72/804556672.db2.gz POCITOPDQOXZRX-QAPCUYQASA-N 2 2 287.451 3.357 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846689 804556972 /nfs/dbraw/zinc/55/69/72/804556972.db2.gz POCITOPDQOXZRX-MAUKXSAKSA-N 2 2 287.451 3.357 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846689 804556973 /nfs/dbraw/zinc/55/69/73/804556973.db2.gz POCITOPDQOXZRX-MAUKXSAKSA-N 2 2 287.451 3.357 20 0 CGADLP CC1(C)OCCC12CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141049745 804580728 /nfs/dbraw/zinc/58/07/28/804580728.db2.gz RGKXOTWJVQTVCM-UHFFFAOYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913075 804596583 /nfs/dbraw/zinc/59/65/83/804596583.db2.gz JXPLYJOGOGVVCR-WCQYABFASA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913075 804596587 /nfs/dbraw/zinc/59/65/87/804596587.db2.gz JXPLYJOGOGVVCR-WCQYABFASA-N 2 2 284.856 3.244 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930775 804605877 /nfs/dbraw/zinc/60/58/77/804605877.db2.gz VZTFPZUYBOCHHI-IAGOWNOFSA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930775 804605878 /nfs/dbraw/zinc/60/58/78/804605878.db2.gz VZTFPZUYBOCHHI-IAGOWNOFSA-N 2 2 288.435 3.017 20 0 CGADLP c1cc(C2CC2)[nH+]c(N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165248701 806981094 /nfs/dbraw/zinc/98/10/94/806981094.db2.gz ONTMRWBVASRDEK-UHFFFAOYSA-N 2 2 271.408 3.072 20 0 CGADLP Cc1cc(Cl)c(C)c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057406 805530388 /nfs/dbraw/zinc/53/03/88/805530388.db2.gz HBTSENASNMLRBO-UHFFFAOYSA-N 2 2 290.798 3.005 20 0 CGADLP CC(C)(C)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155063106 805531806 /nfs/dbraw/zinc/53/18/06/805531806.db2.gz MEVDPACEJGCASJ-UHFFFAOYSA-N 2 2 284.407 3.032 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155116215 805540907 /nfs/dbraw/zinc/54/09/07/805540907.db2.gz GONOSBQPTFRBMI-CQSZACIVSA-N 2 2 285.794 3.246 20 0 CGADLP CCc1ccc[nH+]c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165427270 807002982 /nfs/dbraw/zinc/00/29/82/807002982.db2.gz KMBXOIBSDARIGN-UHFFFAOYSA-N 2 2 281.403 3.188 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC001257201564 807059662 /nfs/dbraw/zinc/05/96/62/807059662.db2.gz GDJAEHQTKUDCRS-INIZCTEOSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001257217389 807065029 /nfs/dbraw/zinc/06/50/29/807065029.db2.gz MRHHCYMNYGWWPH-ZBFHGGJFSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001257217389 807065034 /nfs/dbraw/zinc/06/50/34/807065034.db2.gz MRHHCYMNYGWWPH-ZBFHGGJFSA-N 2 2 250.430 3.124 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257373746 807130366 /nfs/dbraw/zinc/13/03/66/807130366.db2.gz WLPOSHAENZMAIS-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257373746 807130371 /nfs/dbraw/zinc/13/03/71/807130371.db2.gz WLPOSHAENZMAIS-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257373746 807130376 /nfs/dbraw/zinc/13/03/76/807130376.db2.gz WLPOSHAENZMAIS-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257373746 807130381 /nfs/dbraw/zinc/13/03/81/807130381.db2.gz WLPOSHAENZMAIS-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC001257374824 807131661 /nfs/dbraw/zinc/13/16/61/807131661.db2.gz OINRQVINMTZQRL-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CCc1ccc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]c1 ZINC001167752322 807242608 /nfs/dbraw/zinc/24/26/08/807242608.db2.gz FADUFHGGZAUWSL-CQSZACIVSA-N 2 2 261.413 3.320 20 0 CGADLP CCc1ccc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]c1 ZINC001167752322 807242614 /nfs/dbraw/zinc/24/26/14/807242614.db2.gz FADUFHGGZAUWSL-CQSZACIVSA-N 2 2 261.413 3.320 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001258016981 807267045 /nfs/dbraw/zinc/26/70/45/807267045.db2.gz PHMJWKHTCXVUFV-UHFFFAOYSA-N 2 2 276.399 3.262 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001258016981 807267048 /nfs/dbraw/zinc/26/70/48/807267048.db2.gz PHMJWKHTCXVUFV-UHFFFAOYSA-N 2 2 276.399 3.262 20 0 CGADLP [NH2+]=C(Nc1ccccc1OC1CCCC1)SCC[NH3+] ZINC001167911928 807272692 /nfs/dbraw/zinc/27/26/92/807272692.db2.gz GZQZFRPWGDDKBJ-UHFFFAOYSA-N 2 2 279.409 3.047 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947806 807279407 /nfs/dbraw/zinc/27/94/07/807279407.db2.gz HHDBEXVCKLQZEX-XOIINTDNSA-N 2 2 262.441 3.124 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947806 807279411 /nfs/dbraw/zinc/27/94/11/807279411.db2.gz HHDBEXVCKLQZEX-XOIINTDNSA-N 2 2 262.441 3.124 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258067268 807286084 /nfs/dbraw/zinc/28/60/84/807286084.db2.gz YZZUNQDBAOYSBD-ZIAGYGMSSA-N 2 2 251.418 3.013 20 0 CGADLP C[C@H]1CC([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)C1 ZINC001258168380 807334192 /nfs/dbraw/zinc/33/41/92/807334192.db2.gz NXGXIPKFBMNFEF-IAGOWNOFSA-N 3 2 297.531 3.017 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258180810 807344170 /nfs/dbraw/zinc/34/41/70/807344170.db2.gz DKXDNEKUNNLYHS-RDJZCZTQSA-N 2 2 290.451 3.455 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258180810 807344179 /nfs/dbraw/zinc/34/41/79/807344179.db2.gz DKXDNEKUNNLYHS-RDJZCZTQSA-N 2 2 290.451 3.455 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccco2)C1 ZINC001258197704 807358082 /nfs/dbraw/zinc/35/80/82/807358082.db2.gz PNNBPGHAFZEOKR-HOCLYGCPSA-N 2 2 286.375 3.067 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccco2)C1 ZINC001258197704 807358091 /nfs/dbraw/zinc/35/80/91/807358091.db2.gz PNNBPGHAFZEOKR-HOCLYGCPSA-N 2 2 286.375 3.067 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258279583 807391462 /nfs/dbraw/zinc/39/14/62/807391462.db2.gz KIFBRIWVHSJWFX-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258279583 807391470 /nfs/dbraw/zinc/39/14/70/807391470.db2.gz KIFBRIWVHSJWFX-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001168387267 807398627 /nfs/dbraw/zinc/39/86/27/807398627.db2.gz AZPRRIYGGMDMJJ-NVXWUHKLSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001168387267 807398634 /nfs/dbraw/zinc/39/86/34/807398634.db2.gz AZPRRIYGGMDMJJ-NVXWUHKLSA-N 2 2 262.441 3.125 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168454604 807421490 /nfs/dbraw/zinc/42/14/90/807421490.db2.gz SEQPAWYYBGAMEN-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168454604 807421494 /nfs/dbraw/zinc/42/14/94/807421494.db2.gz SEQPAWYYBGAMEN-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP Cc1[nH+]ccc(N2C[C@H](CC[NH3+])c3ccccc32)c1F ZINC001168548321 807443359 /nfs/dbraw/zinc/44/33/59/807443359.db2.gz LBCYGDWFHQWMGK-LBPRGKRZSA-N 2 2 271.339 3.113 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258649580 807522070 /nfs/dbraw/zinc/52/20/70/807522070.db2.gz LGAVKPQCBWCGNR-FUHWJXTLSA-N 2 2 274.452 3.472 20 0 CGADLP C[C@H]([NH3+])c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169004864 807549991 /nfs/dbraw/zinc/54/99/91/807549991.db2.gz UBHSDPZGCBSXQG-ZDUSSCGKSA-N 2 2 280.375 3.009 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCOc2cc[nH+]cc2)CC(C)(C)C1 ZINC001258694976 807550500 /nfs/dbraw/zinc/55/05/00/807550500.db2.gz XPFLKLHQZWDHPS-KBPBESRZSA-N 2 2 262.397 3.265 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001169049762 807560289 /nfs/dbraw/zinc/56/02/89/807560289.db2.gz KMEQQSLBGJOQQS-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001169049762 807560293 /nfs/dbraw/zinc/56/02/93/807560293.db2.gz KMEQQSLBGJOQQS-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001169051165 807560416 /nfs/dbraw/zinc/56/04/16/807560416.db2.gz VDDZDJKEUWCVOD-DOTOQJQBSA-N 2 2 262.441 3.184 20 0 CGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001169266327 807619132 /nfs/dbraw/zinc/61/91/32/807619132.db2.gz VUIJQOSVCKSXBP-CQSZACIVSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258809786 807629097 /nfs/dbraw/zinc/62/90/97/807629097.db2.gz BXTRTZQBAFCGNF-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001258813351 807631625 /nfs/dbraw/zinc/63/16/25/807631625.db2.gz JZHXEJZIIIUECG-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001258813351 807631630 /nfs/dbraw/zinc/63/16/30/807631630.db2.gz JZHXEJZIIIUECG-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001258908594 807672914 /nfs/dbraw/zinc/67/29/14/807672914.db2.gz YAAZNKRZJQHNSL-CYBMUJFWSA-N 2 2 262.388 3.228 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001258908594 807672919 /nfs/dbraw/zinc/67/29/19/807672919.db2.gz YAAZNKRZJQHNSL-CYBMUJFWSA-N 2 2 262.388 3.228 20 0 CGADLP CC[C@H]1C[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001170194683 807791492 /nfs/dbraw/zinc/79/14/92/807791492.db2.gz XUCMWYORSRBKSD-HOTGVXAUSA-N 2 2 285.391 3.139 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c(C)[nH+]1 ZINC001262240178 807840962 /nfs/dbraw/zinc/84/09/62/807840962.db2.gz WBNILZKXXVUVKD-INIZCTEOSA-N 2 2 269.392 3.137 20 0 CGADLP Cc1ccc(N([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001170767347 807903756 /nfs/dbraw/zinc/90/37/56/807903756.db2.gz RODYNUYNBQGGLI-OSYLJGHBSA-N 2 2 299.462 3.383 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898938 807928341 /nfs/dbraw/zinc/92/83/41/807928341.db2.gz ZMKFMJKZHOWMRK-LSDHHAIUSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898938 807928343 /nfs/dbraw/zinc/92/83/43/807928343.db2.gz ZMKFMJKZHOWMRK-LSDHHAIUSA-N 2 2 292.854 3.270 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170919308 807933327 /nfs/dbraw/zinc/93/33/27/807933327.db2.gz YCMPAEVXDCHXAN-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP Fc1cccc2c1C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171000456 807954941 /nfs/dbraw/zinc/95/49/41/807954941.db2.gz HIKJDZYVMOLCPQ-LSDHHAIUSA-N 2 2 299.393 3.219 20 0 CGADLP C[NH+]1CC(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171066262 807978842 /nfs/dbraw/zinc/97/88/42/807978842.db2.gz JTIVRWIHVREFOZ-CYBMUJFWSA-N 2 2 299.245 3.002 20 0 CGADLP Cc1c[nH+]cc(-n2c(CC[NH3+])cc3ccccc32)c1C ZINC001171305148 808024462 /nfs/dbraw/zinc/02/44/62/808024462.db2.gz RASPKEYDWINDCG-UHFFFAOYSA-N 2 2 265.360 3.144 20 0 CGADLP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC001171613839 808105059 /nfs/dbraw/zinc/10/50/59/808105059.db2.gz RBAIWLJZFNTQGI-UHFFFAOYSA-N 2 2 275.440 3.131 20 0 CGADLP CC(C)[N@H+]([C@H]1Cc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC001171808743 808145872 /nfs/dbraw/zinc/14/58/72/808145872.db2.gz CQNBGYAUSHIAEY-INIZCTEOSA-N 2 2 290.426 3.098 20 0 CGADLP CC(C)[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC001171808743 808145875 /nfs/dbraw/zinc/14/58/75/808145875.db2.gz CQNBGYAUSHIAEY-INIZCTEOSA-N 2 2 290.426 3.098 20 0 CGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001171854053 808149623 /nfs/dbraw/zinc/14/96/23/808149623.db2.gz YTUYEVLMUIFUPT-OAFZBRQQSA-N 2 2 286.463 3.282 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172321597 808230239 /nfs/dbraw/zinc/23/02/39/808230239.db2.gz MBEJRQQSPHPHSG-JKSUJKDBSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172321597 808230241 /nfs/dbraw/zinc/23/02/41/808230241.db2.gz MBEJRQQSPHPHSG-JKSUJKDBSA-N 2 2 278.440 3.041 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@H]1C ZINC001172370657 808265434 /nfs/dbraw/zinc/26/54/34/808265434.db2.gz QHILXERNEDZTJF-KBXIAJHMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@H]1C ZINC001172370657 808265437 /nfs/dbraw/zinc/26/54/37/808265437.db2.gz QHILXERNEDZTJF-KBXIAJHMSA-N 2 2 250.430 3.028 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172387515 808280146 /nfs/dbraw/zinc/28/01/46/808280146.db2.gz LDPVQDFLSGLVEC-INIZCTEOSA-N 2 2 284.488 3.172 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172549492 808379210 /nfs/dbraw/zinc/37/92/10/808379210.db2.gz RKNAWVZZLXWJNG-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172549492 808379220 /nfs/dbraw/zinc/37/92/20/808379220.db2.gz RKNAWVZZLXWJNG-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172722999 808421112 /nfs/dbraw/zinc/42/11/12/808421112.db2.gz DIDXZJCYINCYJZ-MRXNPFEDSA-N 2 2 289.810 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172722999 808421113 /nfs/dbraw/zinc/42/11/13/808421113.db2.gz DIDXZJCYINCYJZ-MRXNPFEDSA-N 2 2 289.810 3.026 20 0 CGADLP c1cn2cc(C[NH2+]C3CCC4(CCOCC4)CC3)ccc2[nH+]1 ZINC001173044838 808499750 /nfs/dbraw/zinc/49/97/50/808499750.db2.gz GEEMXWNVEIMUNX-UHFFFAOYSA-N 2 2 299.418 3.163 20 0 CGADLP CCCOC1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001173099427 808507484 /nfs/dbraw/zinc/50/74/84/808507484.db2.gz CLQHSGUDLVLULI-FHERZECASA-N 2 2 291.439 3.260 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282849 808584093 /nfs/dbraw/zinc/58/40/93/808584093.db2.gz RHXVPYWZAMMGTC-BVBHFADKSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285477 808585268 /nfs/dbraw/zinc/58/52/68/808585268.db2.gz WKDBVLCAAWUDTC-GDBMZVCRSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285477 808585273 /nfs/dbraw/zinc/58/52/73/808585273.db2.gz WKDBVLCAAWUDTC-GDBMZVCRSA-N 2 2 252.446 3.370 20 0 CGADLP Cn1c[nH+]c2cccc(Nc3cc[nH+]c4ccccc34)c21 ZINC001174038534 808836681 /nfs/dbraw/zinc/83/66/81/808836681.db2.gz AVIQLOIMHYPWQY-UHFFFAOYSA-N 2 2 274.327 3.287 20 0 CGADLP CCCCC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275120202 808912203 /nfs/dbraw/zinc/91/22/03/808912203.db2.gz FOVYQEMHYYILTG-SFHVURJKSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275120202 808912211 /nfs/dbraw/zinc/91/22/11/808912211.db2.gz FOVYQEMHYYILTG-SFHVURJKSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275120202 808912219 /nfs/dbraw/zinc/91/22/19/808912219.db2.gz FOVYQEMHYYILTG-SFHVURJKSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275120202 808912230 /nfs/dbraw/zinc/91/22/30/808912230.db2.gz FOVYQEMHYYILTG-SFHVURJKSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)ccnc3F)(C1)CCC2 ZINC001275533279 808945705 /nfs/dbraw/zinc/94/57/05/808945705.db2.gz ZRJSSAWSWDSIAC-LSDHHAIUSA-N 2 2 297.805 3.029 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1Cl ZINC001276236501 808996016 /nfs/dbraw/zinc/99/60/16/808996016.db2.gz KVMRROLJHBTRJL-FGWVZKOKSA-N 2 2 270.829 3.116 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1Cl ZINC001276236501 808996017 /nfs/dbraw/zinc/99/60/17/808996017.db2.gz KVMRROLJHBTRJL-FGWVZKOKSA-N 2 2 270.829 3.116 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cs1 ZINC001276630753 809023036 /nfs/dbraw/zinc/02/30/36/809023036.db2.gz LRQYNULSPYNLTH-YOGCLGLASA-N 2 2 270.829 3.116 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cs1 ZINC001276630753 809023039 /nfs/dbraw/zinc/02/30/39/809023039.db2.gz LRQYNULSPYNLTH-YOGCLGLASA-N 2 2 270.829 3.116 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cc[nH+]c2c1CCC2 ZINC001213495151 815289451 /nfs/dbraw/zinc/28/94/51/815289451.db2.gz SUMDGSIGRQWHIX-UHFFFAOYSA-N 2 2 265.360 3.317 20 0 CGADLP Cc1c[nH+]cc(Nc2c[nH+]ccc2N2CCCC2)c1C ZINC001213528317 815298809 /nfs/dbraw/zinc/29/88/09/815298809.db2.gz ACOVDJDZDDEAHT-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884127 809564028 /nfs/dbraw/zinc/56/40/28/809564028.db2.gz ZHWUJMRJTBUVGR-PVAVHDDUSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884127 809564031 /nfs/dbraw/zinc/56/40/31/809564031.db2.gz ZHWUJMRJTBUVGR-PVAVHDDUSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)C1CCCCC1 ZINC001175884127 809564034 /nfs/dbraw/zinc/56/40/34/809564034.db2.gz ZHWUJMRJTBUVGR-PVAVHDDUSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)C1CCCCC1 ZINC001175884127 809564037 /nfs/dbraw/zinc/56/40/37/809564037.db2.gz ZHWUJMRJTBUVGR-PVAVHDDUSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCCc2ccccc2C1)C1CC1 ZINC001177594176 809810805 /nfs/dbraw/zinc/81/08/05/809810805.db2.gz BMDLKDNEMCSRFO-KRWDZBQOSA-N 2 2 272.436 3.008 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCCc2ccccc2C1)C1CC1 ZINC001177594176 809810809 /nfs/dbraw/zinc/81/08/09/809810809.db2.gz BMDLKDNEMCSRFO-KRWDZBQOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179147521 809906638 /nfs/dbraw/zinc/90/66/38/809906638.db2.gz HVHARDNNRPWDDA-NCOADZHNSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001179169152 809908868 /nfs/dbraw/zinc/90/88/68/809908868.db2.gz RGFYHUMMMQUCRI-GOSISDBHSA-N 2 2 272.436 3.492 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001179169152 809908871 /nfs/dbraw/zinc/90/88/71/809908871.db2.gz RGFYHUMMMQUCRI-GOSISDBHSA-N 2 2 272.436 3.492 20 0 CGADLP Cc1ccncc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438587 809922271 /nfs/dbraw/zinc/92/22/71/809922271.db2.gz XLVPUYFIFAXQQK-GOSISDBHSA-N 2 2 292.386 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435369 810052929 /nfs/dbraw/zinc/05/29/29/810052929.db2.gz BYKLZJHJORHEDL-SYAUCNOPSA-N 2 2 264.457 3.131 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435369 810052930 /nfs/dbraw/zinc/05/29/30/810052930.db2.gz BYKLZJHJORHEDL-SYAUCNOPSA-N 2 2 264.457 3.131 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001181436227 810053098 /nfs/dbraw/zinc/05/30/98/810053098.db2.gz NKMWQBPDEQZZLC-ZIAGYGMSSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001181436227 810053103 /nfs/dbraw/zinc/05/31/03/810053103.db2.gz NKMWQBPDEQZZLC-ZIAGYGMSSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC001181506026 810056819 /nfs/dbraw/zinc/05/68/19/810056819.db2.gz NEESXHCACJGRGC-LBPRGKRZSA-N 2 2 281.271 3.234 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC001181506026 810056822 /nfs/dbraw/zinc/05/68/22/810056822.db2.gz NEESXHCACJGRGC-LBPRGKRZSA-N 2 2 281.271 3.234 20 0 CGADLP CC[NH+](CC)CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001184580379 810210684 /nfs/dbraw/zinc/21/06/84/810210684.db2.gz NRIZZCORFZHELB-UHFFFAOYSA-N 2 2 278.444 3.477 20 0 CGADLP CCc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184839467 810221148 /nfs/dbraw/zinc/22/11/48/810221148.db2.gz JQHJNTPBCKUXEF-KGLIPLIRSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001184839467 810221152 /nfs/dbraw/zinc/22/11/52/810221152.db2.gz JQHJNTPBCKUXEF-KGLIPLIRSA-N 2 2 290.455 3.134 20 0 CGADLP CCC[N@H+](CC)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185594462 810278425 /nfs/dbraw/zinc/27/84/25/810278425.db2.gz XSLHCIIHMDVZGA-UHFFFAOYSA-N 2 2 297.406 3.026 20 0 CGADLP CCC[N@@H+](CC)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185594462 810278429 /nfs/dbraw/zinc/27/84/29/810278429.db2.gz XSLHCIIHMDVZGA-UHFFFAOYSA-N 2 2 297.406 3.026 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200631048 811721225 /nfs/dbraw/zinc/72/12/25/811721225.db2.gz OZICJDUMSXECGC-VXGBXAGGSA-N 2 2 263.410 3.458 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](CCC)C2)c1 ZINC001203235373 812276152 /nfs/dbraw/zinc/27/61/52/812276152.db2.gz PEOMHJGBVGSCPI-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CC[N@H+](CCC)C2)c1 ZINC001203235373 812276159 /nfs/dbraw/zinc/27/61/59/812276159.db2.gz PEOMHJGBVGSCPI-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC001203243399 812279242 /nfs/dbraw/zinc/27/92/42/812279242.db2.gz KNFNYKRGVDSKOR-DZGCQCFKSA-N 2 2 261.413 3.435 20 0 CGADLP CCc1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC001203243399 812279249 /nfs/dbraw/zinc/27/92/49/812279249.db2.gz KNFNYKRGVDSKOR-DZGCQCFKSA-N 2 2 261.413 3.435 20 0 CGADLP Cc1ccc(Nc2ccccc2N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC001203372477 812329002 /nfs/dbraw/zinc/32/90/02/812329002.db2.gz BEDKISZIBFOHFK-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001203390489 812339242 /nfs/dbraw/zinc/33/92/42/812339242.db2.gz CLUGJWHWUCUADQ-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001203390489 812339245 /nfs/dbraw/zinc/33/92/45/812339245.db2.gz CLUGJWHWUCUADQ-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001203390489 812339252 /nfs/dbraw/zinc/33/92/52/812339252.db2.gz CLUGJWHWUCUADQ-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001203390489 812339259 /nfs/dbraw/zinc/33/92/59/812339259.db2.gz CLUGJWHWUCUADQ-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP Cc1cc(Nc2cc(C)c[nH+]c2C)n(-c2cc[nH+]cc2)n1 ZINC001203656963 812419213 /nfs/dbraw/zinc/41/92/13/812419213.db2.gz FVBAFXWSPGSLCQ-UHFFFAOYSA-N 2 2 279.347 3.331 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001203967045 812504100 /nfs/dbraw/zinc/50/41/00/812504100.db2.gz AWARZYVAXZWFTK-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001203967045 812504104 /nfs/dbraw/zinc/50/41/04/812504104.db2.gz AWARZYVAXZWFTK-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001204002915 812515981 /nfs/dbraw/zinc/51/59/81/812515981.db2.gz WZBNMGWKZAHTIT-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC001204002915 812515983 /nfs/dbraw/zinc/51/59/83/812515983.db2.gz WZBNMGWKZAHTIT-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)oc1C ZINC001204541640 812673405 /nfs/dbraw/zinc/67/34/05/812673405.db2.gz NWNUQAUVUFDHMZ-INIZCTEOSA-N 2 2 286.375 3.335 20 0 CGADLP CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204604488 812686942 /nfs/dbraw/zinc/68/69/42/812686942.db2.gz RHOSPZUSUDRHLE-HNNXBMFYSA-N 2 2 276.424 3.012 20 0 CGADLP CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204604488 812686946 /nfs/dbraw/zinc/68/69/46/812686946.db2.gz RHOSPZUSUDRHLE-HNNXBMFYSA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cccc(C)c1-c1cccc(C[N@H+](C)CC[NH3+])c1 ZINC001204699502 812711550 /nfs/dbraw/zinc/71/15/50/812711550.db2.gz MYZPSNMYGKJGOE-UHFFFAOYSA-N 2 2 268.404 3.361 20 0 CGADLP Cc1cccc(C)c1-c1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC001204699502 812711552 /nfs/dbraw/zinc/71/15/52/812711552.db2.gz MYZPSNMYGKJGOE-UHFFFAOYSA-N 2 2 268.404 3.361 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204944816 812790827 /nfs/dbraw/zinc/79/08/27/812790827.db2.gz COLRPGOGKJBNJL-QGZVFWFLSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204944816 812790832 /nfs/dbraw/zinc/79/08/32/812790832.db2.gz COLRPGOGKJBNJL-QGZVFWFLSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3ccn4cc[nH+]c4c3)n21 ZINC001204971700 812804288 /nfs/dbraw/zinc/80/42/88/812804288.db2.gz NBXDYCOGEDOHIY-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205068969 812847353 /nfs/dbraw/zinc/84/73/53/812847353.db2.gz QRXATZUKRFSJAD-YOEHRIQHSA-N 2 2 281.403 3.060 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccc2)nc1 ZINC001205068969 812847363 /nfs/dbraw/zinc/84/73/63/812847363.db2.gz QRXATZUKRFSJAD-YOEHRIQHSA-N 2 2 281.403 3.060 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083869 812853167 /nfs/dbraw/zinc/85/31/67/812853167.db2.gz ZZJYDKRYYNKRLP-JSGCOSHPSA-N 2 2 266.816 3.268 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083869 812853169 /nfs/dbraw/zinc/85/31/69/812853169.db2.gz ZZJYDKRYYNKRLP-JSGCOSHPSA-N 2 2 266.816 3.268 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205257432 812919497 /nfs/dbraw/zinc/91/94/97/812919497.db2.gz VNUDLVDCPSOXSJ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205257432 812919498 /nfs/dbraw/zinc/91/94/98/812919498.db2.gz VNUDLVDCPSOXSJ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205333278 812960353 /nfs/dbraw/zinc/96/03/53/812960353.db2.gz ZCWIBMHXRMPLLI-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205333278 812960357 /nfs/dbraw/zinc/96/03/57/812960357.db2.gz ZCWIBMHXRMPLLI-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc(C)c1OC(C)C ZINC001205340486 812963712 /nfs/dbraw/zinc/96/37/12/812963712.db2.gz UMFCOPRUQDSODC-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc(C)c1OC(C)C ZINC001205340486 812963720 /nfs/dbraw/zinc/96/37/20/812963720.db2.gz UMFCOPRUQDSODC-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205780973 813074779 /nfs/dbraw/zinc/07/47/79/813074779.db2.gz UQEWMDMQMYIUHX-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205780973 813074784 /nfs/dbraw/zinc/07/47/84/813074784.db2.gz UQEWMDMQMYIUHX-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830502 813101596 /nfs/dbraw/zinc/10/15/96/813101596.db2.gz SYVFEAUBGGPEHE-HOCLYGCPSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830502 813101602 /nfs/dbraw/zinc/10/16/02/813101602.db2.gz SYVFEAUBGGPEHE-HOCLYGCPSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851698 813108709 /nfs/dbraw/zinc/10/87/09/813108709.db2.gz AQDITRZKEYTCNP-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851698 813108713 /nfs/dbraw/zinc/10/87/13/813108713.db2.gz AQDITRZKEYTCNP-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205932696 813138954 /nfs/dbraw/zinc/13/89/54/813138954.db2.gz SRKWOTZMEPZLLI-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205932696 813138958 /nfs/dbraw/zinc/13/89/58/813138958.db2.gz SRKWOTZMEPZLLI-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206049013 813180926 /nfs/dbraw/zinc/18/09/26/813180926.db2.gz GBEYAIJPRVEEAT-FZKQIMNGSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206049013 813180929 /nfs/dbraw/zinc/18/09/29/813180929.db2.gz GBEYAIJPRVEEAT-FZKQIMNGSA-N 2 2 290.451 3.260 20 0 CGADLP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2Cl)CC[C@H]1F ZINC001206153985 813216862 /nfs/dbraw/zinc/21/68/62/813216862.db2.gz FYLDHRUOUKPPGM-CABCVRRESA-N 2 2 284.806 3.034 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@H]1F ZINC001206153985 813216868 /nfs/dbraw/zinc/21/68/68/813216868.db2.gz FYLDHRUOUKPPGM-CABCVRRESA-N 2 2 284.806 3.034 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001206262800 813262008 /nfs/dbraw/zinc/26/20/08/813262008.db2.gz HKLWOQZDARAREG-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001206262800 813262016 /nfs/dbraw/zinc/26/20/16/813262016.db2.gz HKLWOQZDARAREG-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001206549825 813348902 /nfs/dbraw/zinc/34/89/02/813348902.db2.gz QGYVFXWSJAENMF-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001206549825 813348909 /nfs/dbraw/zinc/34/89/09/813348909.db2.gz QGYVFXWSJAENMF-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001206556499 813351723 /nfs/dbraw/zinc/35/17/23/813351723.db2.gz TVQARIODOLCYMV-SFHVURJKSA-N 2 2 298.434 3.028 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001206556499 813351728 /nfs/dbraw/zinc/35/17/28/813351728.db2.gz TVQARIODOLCYMV-SFHVURJKSA-N 2 2 298.434 3.028 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)n1 ZINC001206649300 813388396 /nfs/dbraw/zinc/38/83/96/813388396.db2.gz TXBJRRUIJIMZKI-CYBMUJFWSA-N 2 2 295.858 3.419 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Cl)n1 ZINC001206649300 813388405 /nfs/dbraw/zinc/38/84/05/813388405.db2.gz TXBJRRUIJIMZKI-CYBMUJFWSA-N 2 2 295.858 3.419 20 0 CGADLP CS[C@@H](C)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208146900 813707797 /nfs/dbraw/zinc/70/77/97/813707797.db2.gz CWUXDWHXMDEHCG-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP CS[C@@H](C)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208146900 813707800 /nfs/dbraw/zinc/70/78/00/813707800.db2.gz CWUXDWHXMDEHCG-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP Cc1cccc2c1C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209448066 814046351 /nfs/dbraw/zinc/04/63/51/814046351.db2.gz LXMXYVABZAMFMS-UHFFFAOYSA-N 2 2 258.409 3.187 20 0 CGADLP Cc1cccc2c1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209448066 814046357 /nfs/dbraw/zinc/04/63/57/814046357.db2.gz LXMXYVABZAMFMS-UHFFFAOYSA-N 2 2 258.409 3.187 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001209728863 814122371 /nfs/dbraw/zinc/12/23/71/814122371.db2.gz WPOMDXGOXKHFIQ-UHFFFAOYSA-N 2 2 299.805 3.437 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001209738312 814124842 /nfs/dbraw/zinc/12/48/42/814124842.db2.gz YETLBBNYKHRVAQ-HNNXBMFYSA-N 2 2 299.393 3.088 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001209738312 814124848 /nfs/dbraw/zinc/12/48/48/814124848.db2.gz YETLBBNYKHRVAQ-HNNXBMFYSA-N 2 2 299.393 3.088 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3ccsc3c2)CC[NH2+]1 ZINC001210497706 814489539 /nfs/dbraw/zinc/48/95/39/814489539.db2.gz NOACWUJEFHELSO-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[NH2+]1 ZINC001210497706 814489542 /nfs/dbraw/zinc/48/95/42/814489542.db2.gz NOACWUJEFHELSO-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3c(F)cccc23)CC[NH2+]1 ZINC001210517990 814503586 /nfs/dbraw/zinc/50/35/86/814503586.db2.gz CKTFSFUBSLBUCC-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)CC[NH2+]1 ZINC001210517990 814503589 /nfs/dbraw/zinc/50/35/89/814503589.db2.gz CKTFSFUBSLBUCC-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210519586 814504966 /nfs/dbraw/zinc/50/49/66/814504966.db2.gz PZDRIZCAULSQCC-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210519586 814504971 /nfs/dbraw/zinc/50/49/71/814504971.db2.gz PZDRIZCAULSQCC-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP COc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(C)c[nH+]1 ZINC001210707772 814590996 /nfs/dbraw/zinc/59/09/96/814590996.db2.gz DPEIDNQCSZJUOH-OAHLLOKOSA-N 2 2 287.407 3.343 20 0 CGADLP c1c2cccnc2sc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252482 816388139 /nfs/dbraw/zinc/38/81/39/816388139.db2.gz FQNGCGBIMCVHQU-INIZCTEOSA-N 2 2 287.432 3.014 20 0 CGADLP c1c2cccnc2sc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252482 816388147 /nfs/dbraw/zinc/38/81/47/816388147.db2.gz FQNGCGBIMCVHQU-INIZCTEOSA-N 2 2 287.432 3.014 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)s1 ZINC001222287627 816397733 /nfs/dbraw/zinc/39/77/33/816397733.db2.gz NXFXOYSMLVNQCD-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)s1 ZINC001222287627 816397742 /nfs/dbraw/zinc/39/77/42/816397742.db2.gz NXFXOYSMLVNQCD-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC001222344603 816413870 /nfs/dbraw/zinc/41/38/70/816413870.db2.gz AMXGTKMGQIVDMH-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC001222344603 816413873 /nfs/dbraw/zinc/41/38/73/816413873.db2.gz AMXGTKMGQIVDMH-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353777 816417566 /nfs/dbraw/zinc/41/75/66/816417566.db2.gz HDDKZCXGXFPMBN-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222353777 816417572 /nfs/dbraw/zinc/41/75/72/816417572.db2.gz HDDKZCXGXFPMBN-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385738 816427232 /nfs/dbraw/zinc/42/72/32/816427232.db2.gz VFNQDFNKOPZCDB-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385738 816427237 /nfs/dbraw/zinc/42/72/37/816427237.db2.gz VFNQDFNKOPZCDB-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385788 816427743 /nfs/dbraw/zinc/42/77/43/816427743.db2.gz WXDVLRWJBSJPIN-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385788 816427747 /nfs/dbraw/zinc/42/77/47/816427747.db2.gz WXDVLRWJBSJPIN-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c21 ZINC001222427532 816442533 /nfs/dbraw/zinc/44/25/33/816442533.db2.gz RLNURHLALHYHLN-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c21 ZINC001222427532 816442539 /nfs/dbraw/zinc/44/25/39/816442539.db2.gz RLNURHLALHYHLN-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1C ZINC001222434358 816444006 /nfs/dbraw/zinc/44/40/06/816444006.db2.gz HRVBPMABKHOFFN-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1C ZINC001222434358 816444009 /nfs/dbraw/zinc/44/40/09/816444009.db2.gz HRVBPMABKHOFFN-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP COc1cc(C)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001243245973 823311845 /nfs/dbraw/zinc/31/18/45/823311845.db2.gz SOYBVMFBIPAULW-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001243245973 823311850 /nfs/dbraw/zinc/31/18/50/823311850.db2.gz SOYBVMFBIPAULW-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(F)cc1F ZINC001232016739 818234549 /nfs/dbraw/zinc/23/45/49/818234549.db2.gz DTWAIWXZBPRCAI-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(F)cc1F ZINC001232016739 818234556 /nfs/dbraw/zinc/23/45/56/818234556.db2.gz DTWAIWXZBPRCAI-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001233009308 818499956 /nfs/dbraw/zinc/49/99/56/818499956.db2.gz QOHSKHBQQURJSA-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cc(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001233009308 818499960 /nfs/dbraw/zinc/49/99/60/818499960.db2.gz QOHSKHBQQURJSA-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027193 818982048 /nfs/dbraw/zinc/98/20/48/818982048.db2.gz WUWGKVHYTJBSHH-FUHWJXTLSA-N 2 2 288.435 3.049 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027193 818982052 /nfs/dbraw/zinc/98/20/52/818982052.db2.gz WUWGKVHYTJBSHH-FUHWJXTLSA-N 2 2 288.435 3.049 20 0 CGADLP c1ccc(Oc2cccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235025440 818982515 /nfs/dbraw/zinc/98/25/15/818982515.db2.gz APNMIWAMIYAPPJ-QFBILLFUSA-N 2 2 294.398 3.273 20 0 CGADLP c1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)c2)cc1 ZINC001235025440 818982517 /nfs/dbraw/zinc/98/25/17/818982517.db2.gz APNMIWAMIYAPPJ-QFBILLFUSA-N 2 2 294.398 3.273 20 0 CGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026767 818982972 /nfs/dbraw/zinc/98/29/72/818982972.db2.gz RFMREYFCLIWEQA-QFBILLFUSA-N 2 2 294.398 3.273 20 0 CGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026767 818982979 /nfs/dbraw/zinc/98/29/79/818982979.db2.gz RFMREYFCLIWEQA-QFBILLFUSA-N 2 2 294.398 3.273 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235102448 819003100 /nfs/dbraw/zinc/00/31/00/819003100.db2.gz MYAXEFVHIZWZOI-UHFFFAOYSA-N 2 2 299.245 3.364 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235102448 819003105 /nfs/dbraw/zinc/00/31/05/819003105.db2.gz MYAXEFVHIZWZOI-UHFFFAOYSA-N 2 2 299.245 3.364 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235117643 819010469 /nfs/dbraw/zinc/01/04/69/819010469.db2.gz QFGCTMBMONVODD-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235117643 819010474 /nfs/dbraw/zinc/01/04/74/819010474.db2.gz QFGCTMBMONVODD-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235126052 819011916 /nfs/dbraw/zinc/01/19/16/819011916.db2.gz RKDNJNZVARVAGQ-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1cccc(CCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235126052 819011923 /nfs/dbraw/zinc/01/19/23/819011923.db2.gz RKDNJNZVARVAGQ-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2o1 ZINC001235130631 819013922 /nfs/dbraw/zinc/01/39/22/819013922.db2.gz URJSZCMKCVYQBW-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2o1 ZINC001235130631 819013923 /nfs/dbraw/zinc/01/39/23/819013923.db2.gz URJSZCMKCVYQBW-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP COc1ccc(C)c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235177957 819025578 /nfs/dbraw/zinc/02/55/78/819025578.db2.gz SVKATPGYUJKFDP-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235177957 819025586 /nfs/dbraw/zinc/02/55/86/819025586.db2.gz SVKATPGYUJKFDP-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@]13CCC[NH2+]C3)CCCN2 ZINC001235179020 819026500 /nfs/dbraw/zinc/02/65/00/819026500.db2.gz QLFVRWCRNZJDTF-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCCC[C@]13CCC[NH2+]C3)CCCN2 ZINC001235179020 819026505 /nfs/dbraw/zinc/02/65/05/819026505.db2.gz QLFVRWCRNZJDTF-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP Cc1c(F)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235189931 819029415 /nfs/dbraw/zinc/02/94/15/819029415.db2.gz QHMRVMJOGHLXKH-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1F ZINC001235189931 819029421 /nfs/dbraw/zinc/02/94/21/819029421.db2.gz QHMRVMJOGHLXKH-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3Cl)C[C@H]21 ZINC001235210331 819037744 /nfs/dbraw/zinc/03/77/44/819037744.db2.gz YAEIKTNZHZAGBL-VQFNDLOPSA-N 2 2 298.817 3.396 20 0 CGADLP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3Cl)C[C@H]21 ZINC001235210331 819037751 /nfs/dbraw/zinc/03/77/51/819037751.db2.gz YAEIKTNZHZAGBL-VQFNDLOPSA-N 2 2 298.817 3.396 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254439 819050927 /nfs/dbraw/zinc/05/09/27/819050927.db2.gz BRRMQOGQRCVLHN-DOTOQJQBSA-N 2 2 272.436 3.168 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254439 819050933 /nfs/dbraw/zinc/05/09/33/819050933.db2.gz BRRMQOGQRCVLHN-DOTOQJQBSA-N 2 2 272.436 3.168 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC001235254462 819051559 /nfs/dbraw/zinc/05/15/59/819051559.db2.gz IYAKWVONRNIHBA-WFASDCNBSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC001235254462 819051564 /nfs/dbraw/zinc/05/15/64/819051564.db2.gz IYAKWVONRNIHBA-WFASDCNBSA-N 2 2 299.245 3.220 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001235675657 819137050 /nfs/dbraw/zinc/13/70/50/819137050.db2.gz QUMLRGOIFMXZQY-CQSZACIVSA-N 2 2 296.842 3.101 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001235675657 819137054 /nfs/dbraw/zinc/13/70/54/819137054.db2.gz QUMLRGOIFMXZQY-CQSZACIVSA-N 2 2 296.842 3.101 20 0 CGADLP Fc1ccccc1-c1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c[nH]1 ZINC001235713794 819148618 /nfs/dbraw/zinc/14/86/18/819148618.db2.gz QISYNSVLUMOIOD-UHFFFAOYSA-N 2 2 299.393 3.006 20 0 CGADLP Fc1ccccc1-c1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c[nH]1 ZINC001235713794 819148621 /nfs/dbraw/zinc/14/86/21/819148621.db2.gz QISYNSVLUMOIOD-UHFFFAOYSA-N 2 2 299.393 3.006 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001235760701 819161681 /nfs/dbraw/zinc/16/16/81/819161681.db2.gz IKPZGWRUYXEOHD-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(Cl)c1F)C1CC[NH2+]CC1 ZINC001235760701 819161684 /nfs/dbraw/zinc/16/16/84/819161684.db2.gz IKPZGWRUYXEOHD-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235930312 819227091 /nfs/dbraw/zinc/22/70/91/819227091.db2.gz WBDOZDCLUUIIHE-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235930312 819227095 /nfs/dbraw/zinc/22/70/95/819227095.db2.gz WBDOZDCLUUIIHE-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235930310 819227154 /nfs/dbraw/zinc/22/71/54/819227154.db2.gz WBDOZDCLUUIIHE-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235930310 819227158 /nfs/dbraw/zinc/22/71/58/819227158.db2.gz WBDOZDCLUUIIHE-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP CCCCOc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC001235948303 819237235 /nfs/dbraw/zinc/23/72/35/819237235.db2.gz NHAUMCVDWHDEKG-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC001235948303 819237238 /nfs/dbraw/zinc/23/72/38/819237238.db2.gz NHAUMCVDWHDEKG-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP Clc1ccc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948026 819237325 /nfs/dbraw/zinc/23/73/25/819237325.db2.gz NQUPZKGDZIJGKQ-GOEBONIOSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948026 819237329 /nfs/dbraw/zinc/23/73/29/819237329.db2.gz NQUPZKGDZIJGKQ-GOEBONIOSA-N 2 2 278.827 3.271 20 0 CGADLP C[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC001235950426 819239171 /nfs/dbraw/zinc/23/91/71/819239171.db2.gz FSJWSBZVDIUNMS-GFCCVEGCSA-N 2 2 291.826 3.253 20 0 CGADLP C[N@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC001235950426 819239179 /nfs/dbraw/zinc/23/91/79/819239179.db2.gz FSJWSBZVDIUNMS-GFCCVEGCSA-N 2 2 291.826 3.253 20 0 CGADLP c1ccc(C2C[NH+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001235949275 819239851 /nfs/dbraw/zinc/23/98/51/819239851.db2.gz BUCLRLOEHADGRO-UHFFFAOYSA-N 2 2 272.436 3.398 20 0 CGADLP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(F)cc1Cl ZINC001235958181 819245405 /nfs/dbraw/zinc/24/54/05/819245405.db2.gz XTNQACNCGKIKFQ-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(F)cc1Cl ZINC001235958181 819245408 /nfs/dbraw/zinc/24/54/08/819245408.db2.gz XTNQACNCGKIKFQ-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989685 819261980 /nfs/dbraw/zinc/26/19/80/819261980.db2.gz JGBBVVYGYKLFRI-IRXDYDNUSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989685 819261987 /nfs/dbraw/zinc/26/19/87/819261987.db2.gz JGBBVVYGYKLFRI-IRXDYDNUSA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1ccc(OCC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236009428 819273858 /nfs/dbraw/zinc/27/38/58/819273858.db2.gz YUZWDFKUPURIQX-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC[N@@H+](Cc1ccc(OCC(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236009428 819273860 /nfs/dbraw/zinc/27/38/60/819273860.db2.gz YUZWDFKUPURIQX-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Br)cc1C(C)C ZINC001236145018 819345176 /nfs/dbraw/zinc/34/51/76/819345176.db2.gz XRYJHUUPMQOKNZ-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Br)cc1C(C)C ZINC001236145018 819345179 /nfs/dbraw/zinc/34/51/79/819345179.db2.gz XRYJHUUPMQOKNZ-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202979 819366409 /nfs/dbraw/zinc/36/64/09/819366409.db2.gz UXAXLQVDDPHJPK-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202979 819366415 /nfs/dbraw/zinc/36/64/15/819366415.db2.gz UXAXLQVDDPHJPK-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@]1(C)CCC[NH2+]C1 ZINC001236205662 819368847 /nfs/dbraw/zinc/36/88/47/819368847.db2.gz GCKGWTLHMZZJMI-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@]1(C)CCC[NH2+]C1 ZINC001236205662 819368852 /nfs/dbraw/zinc/36/88/52/819368852.db2.gz GCKGWTLHMZZJMI-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237097 819396449 /nfs/dbraw/zinc/39/64/49/819396449.db2.gz OSTINGKQJUHZMR-OAHLLOKOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236237097 819396456 /nfs/dbraw/zinc/39/64/56/819396456.db2.gz OSTINGKQJUHZMR-OAHLLOKOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cccc2n1 ZINC001236238591 819398508 /nfs/dbraw/zinc/39/85/08/819398508.db2.gz BVPWQPHZXKVBBB-QGZVFWFLSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cccc2n1 ZINC001236238591 819398514 /nfs/dbraw/zinc/39/85/14/819398514.db2.gz BVPWQPHZXKVBBB-QGZVFWFLSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236253718 819406354 /nfs/dbraw/zinc/40/63/54/819406354.db2.gz ZZMNOQIIKJMSOV-OAHLLOKOSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236253718 819406358 /nfs/dbraw/zinc/40/63/58/819406358.db2.gz ZZMNOQIIKJMSOV-OAHLLOKOSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303182 819416319 /nfs/dbraw/zinc/41/63/19/819416319.db2.gz MOGXKCCCDJNIQI-MFKMUULPSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303182 819416324 /nfs/dbraw/zinc/41/63/24/819416324.db2.gz MOGXKCCCDJNIQI-MFKMUULPSA-N 2 2 272.314 3.190 20 0 CGADLP Fc1ccc(-c2cccc3c2CC[NH2+]C3)cc1-n1cc[nH+]c1 ZINC001236358020 819433461 /nfs/dbraw/zinc/43/34/61/819433461.db2.gz HBZGUXWJRKZQIJ-UHFFFAOYSA-N 2 2 293.345 3.324 20 0 CGADLP CCc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001236526339 819517959 /nfs/dbraw/zinc/51/79/59/819517959.db2.gz FFQAKTAOBKTUOW-OAHLLOKOSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001236526339 819517964 /nfs/dbraw/zinc/51/79/64/819517964.db2.gz FFQAKTAOBKTUOW-OAHLLOKOSA-N 2 2 280.843 3.475 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236526563 819518217 /nfs/dbraw/zinc/51/82/17/819518217.db2.gz CQWXHXLSAKFJAS-INIZCTEOSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236526563 819518219 /nfs/dbraw/zinc/51/82/19/819518219.db2.gz CQWXHXLSAKFJAS-INIZCTEOSA-N 2 2 276.424 3.046 20 0 CGADLP C(C1CCSCC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649719 819561309 /nfs/dbraw/zinc/56/13/09/819561309.db2.gz ZEKUGVMHVRMCEH-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP C(C1CCSCC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649719 819561311 /nfs/dbraw/zinc/56/13/11/819561311.db2.gz ZEKUGVMHVRMCEH-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc[nH+]c1N ZINC001243476324 823415883 /nfs/dbraw/zinc/41/58/83/823415883.db2.gz BOXCXGKNLSJGEP-UHFFFAOYSA-N 2 2 285.391 3.181 20 0 CGADLP CCC[N@@H+](Cc1cccc(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836536 819617251 /nfs/dbraw/zinc/61/72/51/819617251.db2.gz WZGGSGPHFYSUHM-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1cccc(F)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836536 819617253 /nfs/dbraw/zinc/61/72/53/819617253.db2.gz WZGGSGPHFYSUHM-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CC[NH+](CC)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236912977 819636787 /nfs/dbraw/zinc/63/67/87/819636787.db2.gz FPHXENQBKKKWPN-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP C[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913028 819637255 /nfs/dbraw/zinc/63/72/55/819637255.db2.gz HUWDBRNZOXJRTH-LLVKDONJSA-N 2 2 261.756 3.120 20 0 CGADLP C[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913028 819637258 /nfs/dbraw/zinc/63/72/58/819637258.db2.gz HUWDBRNZOXJRTH-LLVKDONJSA-N 2 2 261.756 3.120 20 0 CGADLP c1cnc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2c1 ZINC001237155144 819681340 /nfs/dbraw/zinc/68/13/40/819681340.db2.gz OLWRUBBJYOGFBF-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2c1 ZINC001237155144 819681345 /nfs/dbraw/zinc/68/13/45/819681345.db2.gz OLWRUBBJYOGFBF-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1c(C[N@H+](C)CCC[NH+]2CCCC2)ccc(F)c1F ZINC001237162758 819686275 /nfs/dbraw/zinc/68/62/75/819686275.db2.gz ZIIBBRFEFZALGZ-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP Cc1c(C[N@@H+](C)CCC[NH+]2CCCC2)ccc(F)c1F ZINC001237162758 819686277 /nfs/dbraw/zinc/68/62/77/819686277.db2.gz ZIIBBRFEFZALGZ-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cc(F)cc1C ZINC001237324979 819726431 /nfs/dbraw/zinc/72/64/31/819726431.db2.gz GSIUBAAZYHKISI-UHFFFAOYSA-N 2 2 275.371 3.161 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cc(F)cc1C ZINC001237324979 819726433 /nfs/dbraw/zinc/72/64/33/819726433.db2.gz GSIUBAAZYHKISI-UHFFFAOYSA-N 2 2 275.371 3.161 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418355 819749477 /nfs/dbraw/zinc/74/94/77/819749477.db2.gz YEGCCIRDUQISJZ-WBMJQRKESA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418355 819749482 /nfs/dbraw/zinc/74/94/82/819749482.db2.gz YEGCCIRDUQISJZ-WBMJQRKESA-N 2 2 288.366 3.146 20 0 CGADLP FC(F)(F)C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238105770 819935749 /nfs/dbraw/zinc/93/57/49/819935749.db2.gz FAXNFSKWZXWXNN-UHFFFAOYSA-N 2 2 283.297 3.109 20 0 CGADLP CC[N@H+](Cc1cc(C)c(C)cc1OC)C1CC[NH+](C)CC1 ZINC001238764009 820111570 /nfs/dbraw/zinc/11/15/70/820111570.db2.gz QDUFCBMACNMDNV-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(C)cc1OC)C1CC[NH+](C)CC1 ZINC001238764009 820111574 /nfs/dbraw/zinc/11/15/74/820111574.db2.gz QDUFCBMACNMDNV-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC001239536040 820389028 /nfs/dbraw/zinc/38/90/28/820389028.db2.gz BDERBGACCKBKRB-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)C1 ZINC001239536040 820389039 /nfs/dbraw/zinc/38/90/39/820389039.db2.gz BDERBGACCKBKRB-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC001239556513 820408291 /nfs/dbraw/zinc/40/82/91/820408291.db2.gz YRJMEAGHGDITLL-OAHLLOKOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC001239556513 820408295 /nfs/dbraw/zinc/40/82/95/820408295.db2.gz YRJMEAGHGDITLL-OAHLLOKOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC001239556512 820408645 /nfs/dbraw/zinc/40/86/45/820408645.db2.gz YRJMEAGHGDITLL-HNNXBMFYSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)cc2)C1 ZINC001239556512 820408648 /nfs/dbraw/zinc/40/86/48/820408648.db2.gz YRJMEAGHGDITLL-HNNXBMFYSA-N 2 2 270.351 3.026 20 0 CGADLP Cc1cn2c(cccc2-c2ccccc2C[NH+](C)C)[nH+]1 ZINC001239681172 820517212 /nfs/dbraw/zinc/51/72/12/820517212.db2.gz BIEYZNZSKCSHSW-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1cn2cc(-c3ccccc3C[NH+](C)C)ccc2[nH+]1 ZINC001239684814 820520309 /nfs/dbraw/zinc/52/03/09/820520309.db2.gz SOSSSGCSTQNTQD-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccnc3C3CC3)cc2)C1 ZINC001243690420 823487206 /nfs/dbraw/zinc/48/72/06/823487206.db2.gz FLSUDWPXNJEJDB-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3C3CC3)cc2)C1 ZINC001243690420 823487208 /nfs/dbraw/zinc/48/72/08/823487208.db2.gz FLSUDWPXNJEJDB-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP CC(C)([NH3+])c1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218667 820893274 /nfs/dbraw/zinc/89/32/74/820893274.db2.gz IXXOEEMLCZKHLA-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP Cc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001240595914 821176151 /nfs/dbraw/zinc/17/61/51/821176151.db2.gz TWEIAJCCHDMNGB-GOSISDBHSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001240595914 821176158 /nfs/dbraw/zinc/17/61/58/821176158.db2.gz TWEIAJCCHDMNGB-GOSISDBHSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)c(C[NH+](C)C)c1 ZINC001241252668 821673767 /nfs/dbraw/zinc/67/37/67/821673767.db2.gz XNFFDVNZUGJTGY-UHFFFAOYSA-N 2 2 287.382 3.324 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241282319 821701677 /nfs/dbraw/zinc/70/16/77/821701677.db2.gz NLJNAPDIIAGZEP-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001241282319 821701683 /nfs/dbraw/zinc/70/16/83/821701683.db2.gz NLJNAPDIIAGZEP-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP CSc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001241636182 822014717 /nfs/dbraw/zinc/01/47/17/822014717.db2.gz BEZLXOQHLDBTQY-OAHLLOKOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cn1 ZINC001241636182 822014725 /nfs/dbraw/zinc/01/47/25/822014725.db2.gz BEZLXOQHLDBTQY-OAHLLOKOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001241637513 822018578 /nfs/dbraw/zinc/01/85/78/822018578.db2.gz YZUAQPNSFLDQBU-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cn1 ZINC001241637513 822018588 /nfs/dbraw/zinc/01/85/88/822018588.db2.gz YZUAQPNSFLDQBU-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1N ZINC001241885642 822195211 /nfs/dbraw/zinc/19/52/11/822195211.db2.gz HZWKVPUDTFEYTA-SFHVURJKSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc(C)c1N ZINC001241885642 822195215 /nfs/dbraw/zinc/19/52/15/822195215.db2.gz HZWKVPUDTFEYTA-SFHVURJKSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1cc(C[NH+]2CCCCC2)ccn1 ZINC001242072586 822331287 /nfs/dbraw/zinc/33/12/87/822331287.db2.gz NDMOOFXIBFRBJL-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cncc(C3CC3)c2)C1 ZINC001242198065 822908185 /nfs/dbraw/zinc/90/81/85/822908185.db2.gz PWDONYBJEKABHQ-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cncc(C3CC3)c2)C1 ZINC001242198065 822908186 /nfs/dbraw/zinc/90/81/86/822908186.db2.gz PWDONYBJEKABHQ-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]c2ccccc12 ZINC001330156938 935272148 /nfs/dbraw/zinc/27/21/48/935272148.db2.gz NOHCJVVNBXYEQI-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]c2ccccc12 ZINC001330156938 935272150 /nfs/dbraw/zinc/27/21/50/935272150.db2.gz NOHCJVVNBXYEQI-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(C)[nH+]1 ZINC001345124170 936802419 /nfs/dbraw/zinc/80/24/19/936802419.db2.gz SIIRVKWAFVJGBO-VHRNVKJDSA-N 2 2 271.408 3.268 20 0 CGADLP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(C)[nH+]1 ZINC001345124170 936802421 /nfs/dbraw/zinc/80/24/21/936802421.db2.gz SIIRVKWAFVJGBO-VHRNVKJDSA-N 2 2 271.408 3.268 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000258826947 927008893 /nfs/dbraw/zinc/00/88/93/927008893.db2.gz UWBFUNALOBTAPU-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000258826947 927008903 /nfs/dbraw/zinc/00/89/03/927008903.db2.gz UWBFUNALOBTAPU-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C)c(F)c1 ZINC001459866839 937503899 /nfs/dbraw/zinc/50/38/99/937503899.db2.gz XYLSACIDVAMQLX-INIZCTEOSA-N 2 2 275.371 3.462 20 0 CGADLP C[C@@H]1Cc2c([nH+]cn2CC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001460152478 937518100 /nfs/dbraw/zinc/51/81/00/937518100.db2.gz UHFRVGLPRSLWRY-JKSUJKDBSA-N 2 2 297.446 3.386 20 0 CGADLP C[C@@H]1Cc2c([nH+]cn2CC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001460152478 937518103 /nfs/dbraw/zinc/51/81/03/937518103.db2.gz UHFRVGLPRSLWRY-JKSUJKDBSA-N 2 2 297.446 3.386 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CC[N@H+](C)Cc3ccccc3)c2C[C@@H]1C ZINC001460152458 937518194 /nfs/dbraw/zinc/51/81/94/937518194.db2.gz UHFRVGLPRSLWRY-CVEARBPZSA-N 2 2 297.446 3.386 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CC[N@@H+](C)Cc3ccccc3)c2C[C@@H]1C ZINC001460152458 937518196 /nfs/dbraw/zinc/51/81/96/937518196.db2.gz UHFRVGLPRSLWRY-CVEARBPZSA-N 2 2 297.446 3.386 20 0 CGADLP COc1ccsc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001461085739 937563429 /nfs/dbraw/zinc/56/34/29/937563429.db2.gz KGVJOMHXKZYFIY-AWEZNQCLSA-N 2 2 293.436 3.158 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCC(C)CC1 ZINC001461119746 937564489 /nfs/dbraw/zinc/56/44/89/937564489.db2.gz HZMKVOSVWOVMMG-WCXIOVBPSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC001461372355 937577832 /nfs/dbraw/zinc/57/78/32/937577832.db2.gz DUJIGFHNYVFCFC-RKVPGOIHSA-N 2 2 287.451 3.385 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001461626053 937589324 /nfs/dbraw/zinc/58/93/24/937589324.db2.gz DPLFSQQVKFSXTF-OWCLPIDISA-N 2 2 284.513 3.371 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001461687402 937592018 /nfs/dbraw/zinc/59/20/18/937592018.db2.gz YDLOXDLYNRERPX-SUZKBHRPSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001461687402 937592022 /nfs/dbraw/zinc/59/20/22/937592022.db2.gz YDLOXDLYNRERPX-SUZKBHRPSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC001461809835 937598196 /nfs/dbraw/zinc/59/81/96/937598196.db2.gz ZEHGGKODGXYHKU-MBVDDHJVSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC001461809835 937598198 /nfs/dbraw/zinc/59/81/98/937598198.db2.gz ZEHGGKODGXYHKU-MBVDDHJVSA-N 2 2 280.362 3.052 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC001462429309 937640854 /nfs/dbraw/zinc/64/08/54/937640854.db2.gz WBAJNLYOODFQBH-OAHLLOKOSA-N 2 2 280.843 3.345 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC001462429309 937640855 /nfs/dbraw/zinc/64/08/55/937640855.db2.gz WBAJNLYOODFQBH-OAHLLOKOSA-N 2 2 280.843 3.345 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307924369 933021564 /nfs/dbraw/zinc/02/15/64/933021564.db2.gz QAYFVHAKDYQCAR-ZNMIVQPWSA-N 2 2 254.462 3.379 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307924369 933021567 /nfs/dbraw/zinc/02/15/67/933021567.db2.gz QAYFVHAKDYQCAR-ZNMIVQPWSA-N 2 2 254.462 3.379 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001308265148 933084359 /nfs/dbraw/zinc/08/43/59/933084359.db2.gz ZVKKHBQIFQRODV-MRXNPFEDSA-N 2 2 252.446 3.421 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001308265148 933084367 /nfs/dbraw/zinc/08/43/67/933084367.db2.gz ZVKKHBQIFQRODV-MRXNPFEDSA-N 2 2 252.446 3.421 20 0 CGADLP Clc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001308297766 933091872 /nfs/dbraw/zinc/09/18/72/933091872.db2.gz KMHRZBOMRBMKFE-UHFFFAOYSA-N 2 2 275.783 3.327 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC001308523172 933125395 /nfs/dbraw/zinc/12/53/95/933125395.db2.gz JJUXSWSLZYVKAO-BQFCYCMXSA-N 2 2 281.403 3.398 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC001308726491 933166284 /nfs/dbraw/zinc/16/62/84/933166284.db2.gz HBRKONRCCXAETA-ULQDDVLXSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC001308726491 933166287 /nfs/dbraw/zinc/16/62/87/933166287.db2.gz HBRKONRCCXAETA-ULQDDVLXSA-N 2 2 272.436 3.315 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001308737904 933167206 /nfs/dbraw/zinc/16/72/06/933167206.db2.gz OAICVQSHIJRHJL-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001308737904 933167210 /nfs/dbraw/zinc/16/72/10/933167210.db2.gz OAICVQSHIJRHJL-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789102 933176903 /nfs/dbraw/zinc/17/69/03/933176903.db2.gz RESWVIAQTXBLGJ-HXSXWYSASA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789102 933176909 /nfs/dbraw/zinc/17/69/09/933176909.db2.gz RESWVIAQTXBLGJ-HXSXWYSASA-N 2 2 284.447 3.453 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308841267 933187934 /nfs/dbraw/zinc/18/79/34/933187934.db2.gz VPFWSBKOXBEMAD-NEWSRXKRSA-N 2 2 284.447 3.323 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308841267 933187937 /nfs/dbraw/zinc/18/79/37/933187937.db2.gz VPFWSBKOXBEMAD-NEWSRXKRSA-N 2 2 284.447 3.323 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001308859133 933191894 /nfs/dbraw/zinc/19/18/94/933191894.db2.gz YJIFYMPMNSUBCP-OWCLPIDISA-N 2 2 296.499 3.433 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001308859133 933191897 /nfs/dbraw/zinc/19/18/97/933191897.db2.gz YJIFYMPMNSUBCP-OWCLPIDISA-N 2 2 296.499 3.433 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC001308893806 933198148 /nfs/dbraw/zinc/19/81/48/933198148.db2.gz GAPJCOODEYRWIW-HNNXBMFYSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC001308893806 933198149 /nfs/dbraw/zinc/19/81/49/933198149.db2.gz GAPJCOODEYRWIW-HNNXBMFYSA-N 2 2 294.389 3.114 20 0 CGADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001308908503 933202608 /nfs/dbraw/zinc/20/26/08/933202608.db2.gz WWZYOTRJBPHBKY-DLBZAZTESA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001308908503 933202609 /nfs/dbraw/zinc/20/26/09/933202609.db2.gz WWZYOTRJBPHBKY-DLBZAZTESA-N 2 2 282.472 3.188 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001321046340 934142321 /nfs/dbraw/zinc/14/23/21/934142321.db2.gz IELMUUHCARSQMH-CRAIPNDOSA-N 2 2 295.430 3.362 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001321046340 934142323 /nfs/dbraw/zinc/14/23/23/934142323.db2.gz IELMUUHCARSQMH-CRAIPNDOSA-N 2 2 295.430 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=CCCCC1 ZINC001321635728 934199728 /nfs/dbraw/zinc/19/97/28/934199728.db2.gz GWSIDACIJIJUIG-UHFFFAOYSA-N 2 2 282.347 3.015 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC001323703515 934420065 /nfs/dbraw/zinc/42/00/65/934420065.db2.gz NIBAFZZMDJDRCQ-KGLIPLIRSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC001323703515 934420067 /nfs/dbraw/zinc/42/00/67/934420067.db2.gz NIBAFZZMDJDRCQ-KGLIPLIRSA-N 2 2 293.480 3.217 20 0 CGADLP CCC(CC)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001323818143 934429968 /nfs/dbraw/zinc/42/99/68/934429968.db2.gz QXNOSSKJPVVIHN-UHFFFAOYSA-N 2 2 286.379 3.341 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC001325134709 934889174 /nfs/dbraw/zinc/88/91/74/934889174.db2.gz XLQMWHDUIHZNDE-YYIAUSFCSA-N 2 2 294.483 3.043 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC001325134709 934889181 /nfs/dbraw/zinc/88/91/81/934889181.db2.gz XLQMWHDUIHZNDE-YYIAUSFCSA-N 2 2 294.483 3.043 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccccc1Br ZINC001326035504 934945626 /nfs/dbraw/zinc/94/56/26/934945626.db2.gz KCSOZJVZBMJEDM-MNOVXSKESA-N 2 2 285.229 3.098 20 0 CGADLP COCC1([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001473674871 937816861 /nfs/dbraw/zinc/81/68/61/937816861.db2.gz PPWFAIVMDYXMRB-INIZCTEOSA-N 2 2 282.472 3.188 20 0 CGADLP COCC1([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001473674871 937816863 /nfs/dbraw/zinc/81/68/63/937816863.db2.gz PPWFAIVMDYXMRB-INIZCTEOSA-N 2 2 282.472 3.188 20 0 CGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C)cs1 ZINC001336716840 936209079 /nfs/dbraw/zinc/20/90/79/936209079.db2.gz MQQQUBDAHIYSNQ-WTUNAVPPSA-N 2 2 279.453 3.117 20 0 CGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C)cs1 ZINC001336716840 936209081 /nfs/dbraw/zinc/20/90/81/936209081.db2.gz MQQQUBDAHIYSNQ-WTUNAVPPSA-N 2 2 279.453 3.117 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001473769800 937821074 /nfs/dbraw/zinc/82/10/74/937821074.db2.gz QGUZWKTWIJWUIW-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC001473769800 937821076 /nfs/dbraw/zinc/82/10/76/937821076.db2.gz QGUZWKTWIJWUIW-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001473769800 937821078 /nfs/dbraw/zinc/82/10/78/937821078.db2.gz QGUZWKTWIJWUIW-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001473769800 937821080 /nfs/dbraw/zinc/82/10/80/937821080.db2.gz QGUZWKTWIJWUIW-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H](C)C1 ZINC001474575089 937868495 /nfs/dbraw/zinc/86/84/95/937868495.db2.gz AEKGJMGUVXIIIK-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H](C)C1 ZINC001474575089 937868497 /nfs/dbraw/zinc/86/84/97/937868497.db2.gz AEKGJMGUVXIIIK-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042304 938154600 /nfs/dbraw/zinc/15/46/00/938154600.db2.gz ZCHRCTMMOSTDBJ-XWIAVFTESA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042304 938154601 /nfs/dbraw/zinc/15/46/01/938154601.db2.gz ZCHRCTMMOSTDBJ-XWIAVFTESA-N 2 2 284.378 3.313 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001549176085 938155749 /nfs/dbraw/zinc/15/57/49/938155749.db2.gz TUQFGQGINZDBLG-LXTVHRRPSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001549176085 938155750 /nfs/dbraw/zinc/15/57/50/938155750.db2.gz TUQFGQGINZDBLG-LXTVHRRPSA-N 2 2 286.410 3.417 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551377942 938180713 /nfs/dbraw/zinc/18/07/13/938180713.db2.gz KVIHWMFRHKHXFB-BKTGTZMESA-N 2 2 296.414 3.361 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001551377823 938180735 /nfs/dbraw/zinc/18/07/35/938180735.db2.gz KRUBKCGUKXYKGD-OKZBNKHCSA-N 2 2 282.362 3.027 20 0 CGADLP Cc1ccc([C@@H](CF)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC001553291556 938197884 /nfs/dbraw/zinc/19/78/84/938197884.db2.gz OQKQUVZALFHKOT-HZPDHXFCSA-N 2 2 278.415 3.373 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC001560084173 938243262 /nfs/dbraw/zinc/24/32/62/938243262.db2.gz JKKDBXRZKUXWTI-UHFFFAOYSA-N 2 2 281.403 3.346 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC001560084173 938243263 /nfs/dbraw/zinc/24/32/63/938243263.db2.gz JKKDBXRZKUXWTI-UHFFFAOYSA-N 2 2 281.403 3.346 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCCCCC1 ZINC001560082866 938243378 /nfs/dbraw/zinc/24/33/78/938243378.db2.gz IUFQTBBVCYGDFI-KRWDZBQOSA-N 2 2 296.499 3.314 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCCCCC1 ZINC001560082866 938243379 /nfs/dbraw/zinc/24/33/79/938243379.db2.gz IUFQTBBVCYGDFI-KRWDZBQOSA-N 2 2 296.499 3.314 20 0 CGADLP Cc1c(Cl)ccc2c1C[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001560089398 938243728 /nfs/dbraw/zinc/24/37/28/938243728.db2.gz KKTGVKHCAUINRS-HNNXBMFYSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001560089398 938243729 /nfs/dbraw/zinc/24/37/29/938243729.db2.gz KKTGVKHCAUINRS-HNNXBMFYSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC001560089398 938243730 /nfs/dbraw/zinc/24/37/30/938243730.db2.gz KKTGVKHCAUINRS-HNNXBMFYSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC001560089398 938243731 /nfs/dbraw/zinc/24/37/31/938243731.db2.gz KKTGVKHCAUINRS-HNNXBMFYSA-N 2 2 292.854 3.491 20 0 CGADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001560454418 938258980 /nfs/dbraw/zinc/25/89/80/938258980.db2.gz XCLXALXXFPYFJF-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001560454418 938258981 /nfs/dbraw/zinc/25/89/81/938258981.db2.gz XCLXALXXFPYFJF-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001560499932 938260660 /nfs/dbraw/zinc/26/06/60/938260660.db2.gz WNHFRBVIDDEGSL-UHFFFAOYSA-N 2 2 299.349 3.162 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560962079 938286737 /nfs/dbraw/zinc/28/67/37/938286737.db2.gz ZFYLNENBIGUBSY-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001560962079 938286738 /nfs/dbraw/zinc/28/67/38/938286738.db2.gz ZFYLNENBIGUBSY-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC001560979451 938287867 /nfs/dbraw/zinc/28/78/67/938287867.db2.gz JIDVQXAVQPHNRB-QGZVFWFLSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC001560979451 938287869 /nfs/dbraw/zinc/28/78/69/938287869.db2.gz JIDVQXAVQPHNRB-QGZVFWFLSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1c(F)ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1F ZINC001257207913 960425993 /nfs/dbraw/zinc/42/59/93/960425993.db2.gz AOMGAZAQYFINQC-UHFFFAOYSA-N 2 2 282.378 3.236 20 0 CGADLP CCC[NH2+]CC[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001577559587 960473904 /nfs/dbraw/zinc/47/39/04/960473904.db2.gz CIFZSBOXMGLFIH-SREVYHEPSA-N 2 2 260.425 3.214 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001574980541 962337669 /nfs/dbraw/zinc/33/76/69/962337669.db2.gz UCUNTUMCQRRWDF-XOVFHRFOSA-N 2 2 266.388 3.380 20 0 CGADLP COCC[C@H]([NH3+])C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC001579000211 962604112 /nfs/dbraw/zinc/60/41/12/962604112.db2.gz QXDUCKNIFRFTLL-KRWDZBQOSA-N 2 2 290.451 3.138 20 0 CGADLP COCC[C@H]([NH3+])C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC001579000211 962604138 /nfs/dbraw/zinc/60/41/38/962604138.db2.gz QXDUCKNIFRFTLL-KRWDZBQOSA-N 2 2 290.451 3.138 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1Cl ZINC001580029507 962690976 /nfs/dbraw/zinc/69/09/76/962690976.db2.gz VLPDWLFDAQFSSH-IUODEOHRSA-N 2 2 282.790 3.272 20 0 CGADLP [NH3+]CC12CCC(CC1)[N@@H+]2CCOc1cccc2ccccc21 ZINC001580250007 962708151 /nfs/dbraw/zinc/70/81/51/962708151.db2.gz FJDZKHLZKMLNMK-UHFFFAOYSA-N 2 2 296.414 3.174 20 0 CGADLP [NH3+]CC12CCC(CC1)[N@H+]2CCOc1cccc2ccccc21 ZINC001580250007 962708164 /nfs/dbraw/zinc/70/81/64/962708164.db2.gz FJDZKHLZKMLNMK-UHFFFAOYSA-N 2 2 296.414 3.174 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124350094 187133915 /nfs/dbraw/zinc/13/39/15/187133915.db2.gz DXICOMUGSWQDOP-MRXNPFEDSA-N 2 2 257.381 3.356 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124350094 187133916 /nfs/dbraw/zinc/13/39/16/187133916.db2.gz DXICOMUGSWQDOP-MRXNPFEDSA-N 2 2 257.381 3.356 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC000124395937 187135626 /nfs/dbraw/zinc/13/56/26/187135626.db2.gz JAYFQFUDSFGPRM-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC000124395937 187135627 /nfs/dbraw/zinc/13/56/27/187135627.db2.gz JAYFQFUDSFGPRM-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[C@@H]1C[C@]1([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337488209 214114509 /nfs/dbraw/zinc/11/45/09/214114509.db2.gz KCUKUDLRPGFWOZ-IUODEOHRSA-N 2 2 275.783 3.061 20 0 CGADLP CC(C)Oc1cc[nH+]c(Cn2cc[nH+]c2C(C)C)c1 ZINC000651192564 398213045 /nfs/dbraw/zinc/21/30/45/398213045.db2.gz SDFOTAYKQMOYDZ-UHFFFAOYSA-N 2 2 259.353 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000294960951 199271883 /nfs/dbraw/zinc/27/18/83/199271883.db2.gz DWDOITNCYUCLLL-VRKREXBASA-N 2 2 278.465 3.019 20 0 CGADLP CC[C@@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000125208393 187174977 /nfs/dbraw/zinc/17/49/77/187174977.db2.gz CPJPJKXCOXOQKI-INIZCTEOSA-N 2 2 299.374 3.153 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782923 349586089 /nfs/dbraw/zinc/58/60/89/349586089.db2.gz UZDXZVFWXDQVHY-KYOSRNDESA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782923 349586093 /nfs/dbraw/zinc/58/60/93/349586093.db2.gz UZDXZVFWXDQVHY-KYOSRNDESA-N 2 2 264.800 3.214 20 0 CGADLP CCN(CCC[NH+](CC)CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000350725572 219052687 /nfs/dbraw/zinc/05/26/87/219052687.db2.gz YQELSXRMFXQLEC-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000651716118 398274534 /nfs/dbraw/zinc/27/45/34/398274534.db2.gz LDNQIXTVUKXKFQ-FUHWJXTLSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)s1 ZINC000651865952 398298675 /nfs/dbraw/zinc/29/86/75/398298675.db2.gz ODMJACCSTZDESS-GFCCVEGCSA-N 2 2 283.485 3.388 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)s1 ZINC000651865952 398298676 /nfs/dbraw/zinc/29/86/76/398298676.db2.gz ODMJACCSTZDESS-GFCCVEGCSA-N 2 2 283.485 3.388 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000338004928 214355039 /nfs/dbraw/zinc/35/50/39/214355039.db2.gz YRXCQBPLFAIACE-MUIFIZLQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@H+]1CCCC[C@H]1C ZINC000338004928 214355041 /nfs/dbraw/zinc/35/50/41/214355041.db2.gz YRXCQBPLFAIACE-MUIFIZLQSA-N 2 2 264.457 3.418 20 0 CGADLP FC1(F)C[C@]12CC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000652063626 398322089 /nfs/dbraw/zinc/32/20/89/398322089.db2.gz QJTOONXDZSFWKF-ZDUSSCGKSA-N 2 2 295.358 3.165 20 0 CGADLP FC1(F)C[C@]12CC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000652063626 398322092 /nfs/dbraw/zinc/32/20/92/398322092.db2.gz QJTOONXDZSFWKF-ZDUSSCGKSA-N 2 2 295.358 3.165 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365630435 529575246 /nfs/dbraw/zinc/57/52/46/529575246.db2.gz OHTZCSVWIYCMAX-GOSISDBHSA-N 2 2 297.446 3.405 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365630435 529575248 /nfs/dbraw/zinc/57/52/48/529575248.db2.gz OHTZCSVWIYCMAX-GOSISDBHSA-N 2 2 297.446 3.405 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423484121 529568735 /nfs/dbraw/zinc/56/87/35/529568735.db2.gz YIQMRYQXTWPLNN-PSASIEDQSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000414079592 529584694 /nfs/dbraw/zinc/58/46/94/529584694.db2.gz TUBHTKHUWCMYFL-OLMNPRSZSA-N 2 2 287.451 3.070 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423322650 529611496 /nfs/dbraw/zinc/61/14/96/529611496.db2.gz OBRWIQXOHMXTHR-KGLIPLIRSA-N 2 2 282.815 3.127 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CC)C1CCC1 ZINC000423508854 529611597 /nfs/dbraw/zinc/61/15/97/529611597.db2.gz QZGMZJYHEYFZTJ-IRXDYDNUSA-N 2 2 260.425 3.417 20 0 CGADLP CSc1ccc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000623015171 349751937 /nfs/dbraw/zinc/75/19/37/349751937.db2.gz JYBUQSZDJMOQPM-UHFFFAOYSA-N 2 2 262.378 3.037 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423513065 529617150 /nfs/dbraw/zinc/61/71/50/529617150.db2.gz UZTMUCFHECXQDC-CGTJXYLNSA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235571 529619225 /nfs/dbraw/zinc/61/92/25/529619225.db2.gz GNIAERUBRGVGLJ-KBPBESRZSA-N 2 2 260.406 3.489 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cc(Cl)ccc1OC ZINC000423435942 529666251 /nfs/dbraw/zinc/66/62/51/529666251.db2.gz FBACLQRBPDXLJW-CWSCBRNRSA-N 2 2 270.804 3.125 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380817 349794845 /nfs/dbraw/zinc/79/48/45/349794845.db2.gz RFQAQRYPZOLKRO-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380817 349794847 /nfs/dbraw/zinc/79/48/47/349794847.db2.gz RFQAQRYPZOLKRO-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP CSC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000591581347 346929870 /nfs/dbraw/zinc/92/98/70/346929870.db2.gz QFOKPEOOIYIODT-JOYOIKCWSA-N 2 2 292.370 3.046 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000273159545 192061412 /nfs/dbraw/zinc/06/14/12/192061412.db2.gz KATVPBUFXORRRE-CABCVRRESA-N 2 2 287.407 3.248 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000273159546 192061591 /nfs/dbraw/zinc/06/15/91/192061591.db2.gz KATVPBUFXORRRE-GJZGRUSLSA-N 2 2 287.407 3.248 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC1(C)C ZINC000623430414 349806823 /nfs/dbraw/zinc/80/68/23/349806823.db2.gz PAHMFMDUQZPUSW-OAHLLOKOSA-N 2 2 299.418 3.304 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)CC1(C)C ZINC000623430414 349806826 /nfs/dbraw/zinc/80/68/26/349806826.db2.gz PAHMFMDUQZPUSW-OAHLLOKOSA-N 2 2 299.418 3.304 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591867634 346943571 /nfs/dbraw/zinc/94/35/71/346943571.db2.gz QPOKGVBRGKJRMK-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591867634 346943576 /nfs/dbraw/zinc/94/35/76/346943576.db2.gz QPOKGVBRGKJRMK-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008018 199297399 /nfs/dbraw/zinc/29/73/99/199297399.db2.gz SNSDTTSHMFPBOQ-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008018 199297401 /nfs/dbraw/zinc/29/74/01/199297401.db2.gz SNSDTTSHMFPBOQ-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008018 199297402 /nfs/dbraw/zinc/29/74/02/199297402.db2.gz SNSDTTSHMFPBOQ-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008018 199297403 /nfs/dbraw/zinc/29/74/03/199297403.db2.gz SNSDTTSHMFPBOQ-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP Cc1nc(C[N@H+](C)CCCc2c[nH+]ccc2C)cs1 ZINC000351470557 219098324 /nfs/dbraw/zinc/09/83/24/219098324.db2.gz CZLBXPCYFUJLLR-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1nc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cs1 ZINC000351470557 219098325 /nfs/dbraw/zinc/09/83/25/219098325.db2.gz CZLBXPCYFUJLLR-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367590030 529785226 /nfs/dbraw/zinc/78/52/26/529785226.db2.gz RVOQXBNQLHUZRW-BBWFWOEESA-N 2 2 273.424 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367590030 529785227 /nfs/dbraw/zinc/78/52/27/529785227.db2.gz RVOQXBNQLHUZRW-BBWFWOEESA-N 2 2 273.424 3.037 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131454 529808678 /nfs/dbraw/zinc/80/86/78/529808678.db2.gz AGBUSTUXMVDJJG-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131454 529808679 /nfs/dbraw/zinc/80/86/79/529808679.db2.gz AGBUSTUXMVDJJG-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131454 529808680 /nfs/dbraw/zinc/80/86/80/529808680.db2.gz AGBUSTUXMVDJJG-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131454 529808682 /nfs/dbraw/zinc/80/86/82/529808682.db2.gz AGBUSTUXMVDJJG-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP CCC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OCC ZINC000623598422 349845226 /nfs/dbraw/zinc/84/52/26/349845226.db2.gz AUDMNSMAKUHHNS-CQSZACIVSA-N 2 2 293.436 3.229 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751712 349877909 /nfs/dbraw/zinc/87/79/09/349877909.db2.gz JYHMMURNEWWAPZ-XFBWCDHKSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751712 349877911 /nfs/dbraw/zinc/87/79/11/349877911.db2.gz JYHMMURNEWWAPZ-XFBWCDHKSA-N 2 2 278.827 3.257 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000623852840 349896535 /nfs/dbraw/zinc/89/65/35/349896535.db2.gz CGVVXCVAABXBTO-ZIAGYGMSSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)n1 ZINC000623852840 349896537 /nfs/dbraw/zinc/89/65/37/349896537.db2.gz CGVVXCVAABXBTO-ZIAGYGMSSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000623878656 349903509 /nfs/dbraw/zinc/90/35/09/349903509.db2.gz MYBHBRZRPFANRH-LBPRGKRZSA-N 2 2 279.453 3.119 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000414821884 529978662 /nfs/dbraw/zinc/97/86/62/529978662.db2.gz FOCBKHLPBMRXHY-UHFFFAOYSA-N 2 2 272.417 3.147 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000437586272 529985178 /nfs/dbraw/zinc/98/51/78/529985178.db2.gz CCPCSEATSQKVCE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000437586272 529985180 /nfs/dbraw/zinc/98/51/80/529985180.db2.gz CCPCSEATSQKVCE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000437586272 529985181 /nfs/dbraw/zinc/98/51/81/529985181.db2.gz CCPCSEATSQKVCE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000437586272 529985182 /nfs/dbraw/zinc/98/51/82/529985182.db2.gz CCPCSEATSQKVCE-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000364017215 530051572 /nfs/dbraw/zinc/05/15/72/530051572.db2.gz ZTSFKRRVJABDOZ-PQUAAJSLSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000364017215 530051573 /nfs/dbraw/zinc/05/15/73/530051573.db2.gz ZTSFKRRVJABDOZ-PQUAAJSLSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000044535075 345012769 /nfs/dbraw/zinc/01/27/69/345012769.db2.gz ZMMUNDYXXKULLU-YJBOKZPZSA-N 2 2 284.403 3.300 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000044535075 345012771 /nfs/dbraw/zinc/01/27/71/345012771.db2.gz ZMMUNDYXXKULLU-YJBOKZPZSA-N 2 2 284.403 3.300 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)n1 ZINC000623960438 349928926 /nfs/dbraw/zinc/92/89/26/349928926.db2.gz XFPQVRUYWHEHJE-ZDUSSCGKSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000623962386 349930339 /nfs/dbraw/zinc/93/03/39/349930339.db2.gz FPHNJUHCQQSUDO-MVJTYMMSSA-N 2 2 290.451 3.225 20 0 CGADLP Clc1ccccc1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959800 345692164 /nfs/dbraw/zinc/69/21/64/345692164.db2.gz RCEPZVRXXXVXPB-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1ccccc1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959800 345692170 /nfs/dbraw/zinc/69/21/70/345692170.db2.gz RCEPZVRXXXVXPB-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961101 345692901 /nfs/dbraw/zinc/69/29/01/345692901.db2.gz YLWWKEWVFHHSKC-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961101 345692902 /nfs/dbraw/zinc/69/29/02/345692902.db2.gz YLWWKEWVFHHSKC-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907535 345751598 /nfs/dbraw/zinc/75/15/98/345751598.db2.gz DQAJHNJHIHVSHC-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907535 345751599 /nfs/dbraw/zinc/75/15/99/345751599.db2.gz DQAJHNJHIHVSHC-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091405576 345813099 /nfs/dbraw/zinc/81/30/99/345813099.db2.gz YGBHCUSVQQNCFC-KRWDZBQOSA-N 2 2 269.392 3.314 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000091476397 345815930 /nfs/dbraw/zinc/81/59/30/345815930.db2.gz HAWCMMACYNYAFQ-INIZCTEOSA-N 2 2 273.424 3.030 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000090047490 345778638 /nfs/dbraw/zinc/77/86/38/345778638.db2.gz RINFUOWAFHNPPG-KBPBESRZSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(C)c1 ZINC000090046581 345778747 /nfs/dbraw/zinc/77/87/47/345778747.db2.gz SCRSRMJLQPDGSE-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000090046810 345778842 /nfs/dbraw/zinc/77/88/42/345778842.db2.gz ODCDFHNGKABSNR-UONOGXRCSA-N 2 2 296.842 3.101 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000092073927 345830777 /nfs/dbraw/zinc/83/07/77/345830777.db2.gz WWIJFOUWOOQDTR-NRXISQOPSA-N 2 2 261.413 3.415 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000092073927 345830779 /nfs/dbraw/zinc/83/07/79/345830779.db2.gz WWIJFOUWOOQDTR-NRXISQOPSA-N 2 2 261.413 3.415 20 0 CGADLP c1oc2ccccc2c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865816 345890425 /nfs/dbraw/zinc/89/04/25/345890425.db2.gz JXBXMSBVNSLMBQ-INIZCTEOSA-N 2 2 294.354 3.481 20 0 CGADLP c1oc2ccccc2c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865816 345890429 /nfs/dbraw/zinc/89/04/29/345890429.db2.gz JXBXMSBVNSLMBQ-INIZCTEOSA-N 2 2 294.354 3.481 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865986 345890713 /nfs/dbraw/zinc/89/07/13/345890713.db2.gz LEYKBRWTIIPDAV-WDSOQIARSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865986 345890717 /nfs/dbraw/zinc/89/07/17/345890717.db2.gz LEYKBRWTIIPDAV-WDSOQIARSA-N 2 2 294.398 3.338 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645003 219161500 /nfs/dbraw/zinc/16/15/00/219161500.db2.gz UJRBJWZDKGLZIP-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645003 219161501 /nfs/dbraw/zinc/16/15/01/219161501.db2.gz UJRBJWZDKGLZIP-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645003 219161504 /nfs/dbraw/zinc/16/15/04/219161504.db2.gz UJRBJWZDKGLZIP-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645003 219161506 /nfs/dbraw/zinc/16/15/06/219161506.db2.gz UJRBJWZDKGLZIP-JSGCOSHPSA-N 2 2 296.842 3.350 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cccc(C3CC3)c2)c[nH+]1 ZINC000094519580 345898446 /nfs/dbraw/zinc/89/84/46/345898446.db2.gz BGLPHWPLGFDSDL-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000422807306 301407797 /nfs/dbraw/zinc/40/77/97/301407797.db2.gz MCPZKJBWEDIHPZ-SUNKGSAMSA-N 2 2 252.427 3.156 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624017307 349948303 /nfs/dbraw/zinc/94/83/03/349948303.db2.gz WGLFKJZRMGEWTR-ZFWWWQNUSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624017307 349948306 /nfs/dbraw/zinc/94/83/06/349948306.db2.gz WGLFKJZRMGEWTR-ZFWWWQNUSA-N 2 2 293.480 3.224 20 0 CGADLP C[C@H](C[NH2+]C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000236724514 346342622 /nfs/dbraw/zinc/34/26/22/346342622.db2.gz OZKXQPCREXGNKK-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP C([NH2+][C@@H]1CCCSCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078214 349965478 /nfs/dbraw/zinc/96/54/78/349965478.db2.gz ZKDMEOPMYZCLGB-ZBFHGGJFSA-N 2 2 282.497 3.269 20 0 CGADLP C([NH2+][C@@H]1CCCSCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624078214 349965482 /nfs/dbraw/zinc/96/54/82/349965482.db2.gz ZKDMEOPMYZCLGB-ZBFHGGJFSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000584682250 346707681 /nfs/dbraw/zinc/70/76/81/346707681.db2.gz MCGIADIYZCGKSU-BFJAYTPKSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000584682250 346707683 /nfs/dbraw/zinc/70/76/83/346707683.db2.gz MCGIADIYZCGKSU-BFJAYTPKSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000584682250 346707684 /nfs/dbraw/zinc/70/76/84/346707684.db2.gz MCGIADIYZCGKSU-BFJAYTPKSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000584682250 346707687 /nfs/dbraw/zinc/70/76/87/346707687.db2.gz MCGIADIYZCGKSU-BFJAYTPKSA-N 2 2 276.424 3.175 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000123657959 535065338 /nfs/dbraw/zinc/06/53/38/535065338.db2.gz OCIBBRBXWMBMEM-CYBMUJFWSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000123657959 535065342 /nfs/dbraw/zinc/06/53/42/535065342.db2.gz OCIBBRBXWMBMEM-CYBMUJFWSA-N 2 2 283.485 3.246 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccncc1Cl ZINC000624123074 349982033 /nfs/dbraw/zinc/98/20/33/349982033.db2.gz FLPFBQXXXXCAEO-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123074 349982034 /nfs/dbraw/zinc/98/20/34/349982034.db2.gz FLPFBQXXXXCAEO-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP [NH3+]CC[N@H+](CCCCOc1ccccc1)Cc1ccccc1 ZINC000339412467 215154678 /nfs/dbraw/zinc/15/46/78/215154678.db2.gz ONVKAXNZNIIEML-UHFFFAOYSA-N 2 2 298.430 3.307 20 0 CGADLP [NH3+]CC[N@@H+](CCCCOc1ccccc1)Cc1ccccc1 ZINC000339412467 215154681 /nfs/dbraw/zinc/15/46/81/215154681.db2.gz ONVKAXNZNIIEML-UHFFFAOYSA-N 2 2 298.430 3.307 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428782 215162130 /nfs/dbraw/zinc/16/21/30/215162130.db2.gz OENSYPZJFLNVDK-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428782 215162133 /nfs/dbraw/zinc/16/21/33/215162133.db2.gz OENSYPZJFLNVDK-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428782 215162134 /nfs/dbraw/zinc/16/21/34/215162134.db2.gz OENSYPZJFLNVDK-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428782 215162136 /nfs/dbraw/zinc/16/21/36/215162136.db2.gz OENSYPZJFLNVDK-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP CCSCc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000611476823 348455487 /nfs/dbraw/zinc/45/54/87/348455487.db2.gz MYNKWXRRECXJFZ-JSGCOSHPSA-N 2 2 279.453 3.229 20 0 CGADLP CCSCc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000611476823 348455489 /nfs/dbraw/zinc/45/54/89/348455489.db2.gz MYNKWXRRECXJFZ-JSGCOSHPSA-N 2 2 279.453 3.229 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000358014153 233037451 /nfs/dbraw/zinc/03/74/51/233037451.db2.gz JXLHWZRVJHVRAN-NJSLBKSFSA-N 2 2 284.447 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000358014153 233037457 /nfs/dbraw/zinc/03/74/57/233037457.db2.gz JXLHWZRVJHVRAN-NJSLBKSFSA-N 2 2 284.447 3.309 20 0 CGADLP COCC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000358743218 233187467 /nfs/dbraw/zinc/18/74/67/233187467.db2.gz KUQXWFYXPJZALF-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000624271837 350015628 /nfs/dbraw/zinc/01/56/28/350015628.db2.gz HCTXJOXMUTYYRT-ULQDDVLXSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000624271837 350015630 /nfs/dbraw/zinc/01/56/30/350015630.db2.gz HCTXJOXMUTYYRT-ULQDDVLXSA-N 2 2 287.451 3.100 20 0 CGADLP c1cc2cccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2[nH]1 ZINC000271208356 191001534 /nfs/dbraw/zinc/00/15/34/191001534.db2.gz TXEAWLOIUMRRNZ-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP CCO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246088 350146416 /nfs/dbraw/zinc/14/64/16/350146416.db2.gz SKOZWLVGVBSSGS-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246088 350146419 /nfs/dbraw/zinc/14/64/19/350146419.db2.gz SKOZWLVGVBSSGS-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP Clc1ccc(/C=C/C[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625437343 350171696 /nfs/dbraw/zinc/17/16/96/350171696.db2.gz PHFXCEPJYQGMIH-OWOJBTEDSA-N 2 2 273.767 3.135 20 0 CGADLP Clc1ccc(/C=C/C[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625437343 350171698 /nfs/dbraw/zinc/17/16/98/350171698.db2.gz PHFXCEPJYQGMIH-OWOJBTEDSA-N 2 2 273.767 3.135 20 0 CGADLP Cc1cc(NCCCNc2cccc[nH+]2)c2ccccc2[nH+]1 ZINC000359450781 233319868 /nfs/dbraw/zinc/31/98/68/233319868.db2.gz XMGWIKOXXBZGLI-UHFFFAOYSA-N 2 2 292.386 3.274 20 0 CGADLP CC(C)(C[NH2+]C[C@@]1(C)CCCS1)[NH+]1CCCCC1 ZINC000628199768 350437177 /nfs/dbraw/zinc/43/71/77/350437177.db2.gz HEWDPMUWOHBAOC-OAHLLOKOSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCS1 ZINC000628339205 350505554 /nfs/dbraw/zinc/50/55/54/350505554.db2.gz ICCGURGJVMINMV-ZBFHGGJFSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCCS1 ZINC000628339205 350505558 /nfs/dbraw/zinc/50/55/58/350505558.db2.gz ICCGURGJVMINMV-ZBFHGGJFSA-N 2 2 282.497 3.269 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000629525761 350702417 /nfs/dbraw/zinc/70/24/17/350702417.db2.gz BAZYQWGCXKWHMF-RRFJBIMHSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000629526450 350702447 /nfs/dbraw/zinc/70/24/47/350702447.db2.gz UTGADJSSBUMMAC-VHDGCEQUSA-N 2 2 264.388 3.234 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534132 350704552 /nfs/dbraw/zinc/70/45/52/350704552.db2.gz NDVVVBDGIMMKHH-WBMJQRKESA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534132 350704555 /nfs/dbraw/zinc/70/45/55/350704555.db2.gz NDVVVBDGIMMKHH-WBMJQRKESA-N 2 2 294.826 3.010 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C(C)C)cc1 ZINC000629542880 350708207 /nfs/dbraw/zinc/70/82/07/350708207.db2.gz OCEJOQUUXPMFHR-UKPHBRMFSA-N 2 2 276.424 3.122 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000629545635 350709555 /nfs/dbraw/zinc/70/95/55/350709555.db2.gz NHOYHGOBDBZUPV-VYUIOLGVSA-N 2 2 273.207 3.394 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629548395 350710454 /nfs/dbraw/zinc/71/04/54/350710454.db2.gz OFPXFBOBZCBEGI-YNEHKIRRSA-N 2 2 252.427 3.175 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546671 350710484 /nfs/dbraw/zinc/71/04/84/350710484.db2.gz WICBOGCUGFSHEU-XKQJLSEDSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000629547784 350710492 /nfs/dbraw/zinc/71/04/92/350710492.db2.gz USAPRQYDCGBTEK-MAZHCROVSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000629547076 350710553 /nfs/dbraw/zinc/71/05/53/350710553.db2.gz FVMDCFXLADRLRJ-NJZAAPMLSA-N 2 2 264.438 3.319 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000629525007 350701455 /nfs/dbraw/zinc/70/14/55/350701455.db2.gz XLIJHHCDZLIPMQ-DDTOSNHZSA-N 2 2 286.341 3.497 20 0 CGADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000629653813 350731246 /nfs/dbraw/zinc/73/12/46/350731246.db2.gz GORNCCXMKGLIPE-OWCLPIDISA-N 2 2 259.397 3.061 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659809 350732288 /nfs/dbraw/zinc/73/22/88/350732288.db2.gz HVFZSSQVZYREKR-BXUZGUMPSA-N 2 2 286.341 3.244 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000629674165 350734448 /nfs/dbraw/zinc/73/44/48/350734448.db2.gz XJKOZFQAVDTSCE-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1scc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000630077547 350808466 /nfs/dbraw/zinc/80/84/66/350808466.db2.gz SFLQTPHJDNOCFR-AWEZNQCLSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1scc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000630077547 350808469 /nfs/dbraw/zinc/80/84/69/350808469.db2.gz SFLQTPHJDNOCFR-AWEZNQCLSA-N 2 2 266.454 3.327 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631036028 350932919 /nfs/dbraw/zinc/93/29/19/350932919.db2.gz SSTKVIYAPAWBMQ-UHFFFAOYSA-N 2 2 264.388 3.098 20 0 CGADLP Cc1scc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1C ZINC000631205860 350991396 /nfs/dbraw/zinc/99/13/96/350991396.db2.gz GJXFCEGMRFMMJP-UHFFFAOYSA-N 2 2 275.421 3.116 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631576933 351074100 /nfs/dbraw/zinc/07/41/00/351074100.db2.gz DTJGLNWNSLTGSR-GDBMZVCRSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000631576933 351074102 /nfs/dbraw/zinc/07/41/02/351074102.db2.gz DTJGLNWNSLTGSR-GDBMZVCRSA-N 2 2 297.446 3.315 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000631586062 351079472 /nfs/dbraw/zinc/07/94/72/351079472.db2.gz DEAQIOPSPKZXOB-QGZVFWFLSA-N 2 2 297.402 3.169 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1cn(C)c[nH+]1 ZINC000631636017 351100394 /nfs/dbraw/zinc/10/03/94/351100394.db2.gz WXZWHFJQJUWMHO-AWEZNQCLSA-N 2 2 296.418 3.055 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000631827842 351149011 /nfs/dbraw/zinc/14/90/11/351149011.db2.gz XUSYHEWRBXZXKD-ZWKOTPCHSA-N 2 2 287.451 3.113 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000631827842 351149014 /nfs/dbraw/zinc/14/90/14/351149014.db2.gz XUSYHEWRBXZXKD-ZWKOTPCHSA-N 2 2 287.451 3.113 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000631835158 351149523 /nfs/dbraw/zinc/14/95/23/351149523.db2.gz NVTJJZSQQPOMCJ-CYBMUJFWSA-N 2 2 289.448 3.042 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000631835158 351149526 /nfs/dbraw/zinc/14/95/26/351149526.db2.gz NVTJJZSQQPOMCJ-CYBMUJFWSA-N 2 2 289.448 3.042 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887722 351152242 /nfs/dbraw/zinc/15/22/42/351152242.db2.gz QCRVBGLMIGEIDJ-RDJZCZTQSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887722 351152247 /nfs/dbraw/zinc/15/22/47/351152247.db2.gz QCRVBGLMIGEIDJ-RDJZCZTQSA-N 2 2 288.435 3.048 20 0 CGADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccon3)c2)CC1 ZINC000634960654 351610119 /nfs/dbraw/zinc/61/01/19/351610119.db2.gz YLLZVJIOLTXUOP-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992310 351619228 /nfs/dbraw/zinc/61/92/28/351619228.db2.gz LAAFLWFYNGHSOP-PZZKWDHKSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992310 351619231 /nfs/dbraw/zinc/61/92/31/351619231.db2.gz LAAFLWFYNGHSOP-PZZKWDHKSA-N 2 2 284.447 3.397 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000123573850 187099506 /nfs/dbraw/zinc/09/95/06/187099506.db2.gz HBHNOKSYDVCZLU-ZDUSSCGKSA-N 2 2 258.365 3.054 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000123573850 187099507 /nfs/dbraw/zinc/09/95/07/187099507.db2.gz HBHNOKSYDVCZLU-ZDUSSCGKSA-N 2 2 258.365 3.054 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000271541962 191201681 /nfs/dbraw/zinc/20/16/81/191201681.db2.gz QYOZXXFIGHCMGC-INIZCTEOSA-N 2 2 287.451 3.214 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000365648351 234120430 /nfs/dbraw/zinc/12/04/30/234120430.db2.gz IVHXEMPZXGWXCC-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000365648351 234120432 /nfs/dbraw/zinc/12/04/32/234120432.db2.gz IVHXEMPZXGWXCC-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000189268697 542252213 /nfs/dbraw/zinc/25/22/13/542252213.db2.gz QGCUHNJJNFTJKX-INIZCTEOSA-N 2 2 288.435 3.110 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000189268697 542252218 /nfs/dbraw/zinc/25/22/18/542252218.db2.gz QGCUHNJJNFTJKX-INIZCTEOSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367435387 234214860 /nfs/dbraw/zinc/21/48/60/234214860.db2.gz BRWOIDFAPAAKNK-JTQLQIEISA-N 2 2 290.436 3.144 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221221 198207528 /nfs/dbraw/zinc/20/75/28/198207528.db2.gz VBJBFJSHBYOAFP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221221 198207530 /nfs/dbraw/zinc/20/75/30/198207530.db2.gz VBJBFJSHBYOAFP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221221 198207531 /nfs/dbraw/zinc/20/75/31/198207531.db2.gz VBJBFJSHBYOAFP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221221 198207533 /nfs/dbraw/zinc/20/75/33/198207533.db2.gz VBJBFJSHBYOAFP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098279 234282220 /nfs/dbraw/zinc/28/22/20/234282220.db2.gz BILSYPHNCGPYTC-SEDUGSJDSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098279 234282222 /nfs/dbraw/zinc/28/22/22/234282222.db2.gz BILSYPHNCGPYTC-SEDUGSJDSA-N 2 2 299.393 3.319 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000154770256 188160278 /nfs/dbraw/zinc/16/02/78/188160278.db2.gz ICZNCEVWLGVXFS-RHSMWYFYSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000154770256 188160280 /nfs/dbraw/zinc/16/02/80/188160280.db2.gz ICZNCEVWLGVXFS-RHSMWYFYSA-N 2 2 299.418 3.162 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c2ccccc12 ZINC000155669746 188219948 /nfs/dbraw/zinc/21/99/48/188219948.db2.gz NHZBCALNPZPNED-CQSZACIVSA-N 2 2 295.386 3.396 20 0 CGADLP CSC[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000292737932 198394281 /nfs/dbraw/zinc/39/42/81/198394281.db2.gz HBCZAFXBHGOUGS-OAHLLOKOSA-N 2 2 278.465 3.398 20 0 CGADLP CSC[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000292737932 198394283 /nfs/dbraw/zinc/39/42/83/198394283.db2.gz HBCZAFXBHGOUGS-OAHLLOKOSA-N 2 2 278.465 3.398 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411979537 235100614 /nfs/dbraw/zinc/10/06/14/235100614.db2.gz IDKWIEAQZSGMMQ-GOSISDBHSA-N 2 2 295.430 3.232 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411979537 235100617 /nfs/dbraw/zinc/10/06/17/235100617.db2.gz IDKWIEAQZSGMMQ-GOSISDBHSA-N 2 2 295.430 3.232 20 0 CGADLP COc1ccccc1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272588268 191804736 /nfs/dbraw/zinc/80/47/36/191804736.db2.gz MEHBTABCBJDNFH-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336345371 213193029 /nfs/dbraw/zinc/19/30/29/213193029.db2.gz GOIHOYNDBBQLGD-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336345371 213193031 /nfs/dbraw/zinc/19/30/31/213193031.db2.gz GOIHOYNDBBQLGD-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000336343945 213192009 /nfs/dbraw/zinc/19/20/09/213192009.db2.gz BMTAZUZMXMWUCK-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000336343945 213192011 /nfs/dbraw/zinc/19/20/11/213192011.db2.gz BMTAZUZMXMWUCK-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)C[NH+]1CCCC1 ZINC000125105856 138379695 /nfs/dbraw/zinc/37/96/95/138379695.db2.gz YHYXGKVFQBKFQK-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000128604799 138393959 /nfs/dbraw/zinc/39/39/59/138393959.db2.gz RTMVSVTZHWVDAK-JHJVBQTASA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000128604799 138393960 /nfs/dbraw/zinc/39/39/60/138393960.db2.gz RTMVSVTZHWVDAK-JHJVBQTASA-N 2 2 281.469 3.085 20 0 CGADLP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863952 235933495 /nfs/dbraw/zinc/93/34/95/235933495.db2.gz MEFJLRVUHJTXFV-GDBMZVCRSA-N 2 2 285.391 3.034 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195874 235993011 /nfs/dbraw/zinc/99/30/11/235993011.db2.gz UDAYEKJJOZTWCQ-OLZOCXBDSA-N 2 2 258.365 3.144 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2c(s1)CCCC2 ZINC000423236330 236005168 /nfs/dbraw/zinc/00/51/68/236005168.db2.gz ODGVRCAODYSTOK-WCQYABFASA-N 2 2 264.438 3.030 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423245411 236007643 /nfs/dbraw/zinc/00/76/43/236007643.db2.gz IUFGMOAVRKSICU-QAPCUYQASA-N 2 2 283.419 3.082 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(CO)c1 ZINC000423279050 236019623 /nfs/dbraw/zinc/01/96/23/236019623.db2.gz QXWNQZQWTPIHOF-HNNXBMFYSA-N 2 2 290.451 3.142 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1Cl ZINC000423287862 236024831 /nfs/dbraw/zinc/02/48/31/236024831.db2.gz OYXFUDSNVQTQPM-QMMMGPOBSA-N 2 2 261.196 3.381 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423271112 236016656 /nfs/dbraw/zinc/01/66/56/236016656.db2.gz XGDWQTLMHDAVHP-KBPBESRZSA-N 2 2 264.413 3.109 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423275277 236018439 /nfs/dbraw/zinc/01/84/39/236018439.db2.gz LKMSKKFYWISEPB-RISCZKNCSA-N 2 2 258.365 3.129 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423275276 236018527 /nfs/dbraw/zinc/01/85/27/236018527.db2.gz LKMSKKFYWISEPB-FZMZJTMJSA-N 2 2 258.365 3.129 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1F ZINC000423392385 236060704 /nfs/dbraw/zinc/06/07/04/236060704.db2.gz QJEIPQQXPYIZAQ-LRDDRELGSA-N 2 2 294.414 3.263 20 0 CGADLP COC[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000423390283 236060928 /nfs/dbraw/zinc/06/09/28/236060928.db2.gz JZYRAQQZNILUQZ-ROUUACIJSA-N 2 2 286.419 3.100 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000423442309 236072410 /nfs/dbraw/zinc/07/24/10/236072410.db2.gz JWKDDURZAOSVMN-HBUWYVDXSA-N 2 2 284.403 3.110 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423453536 236073873 /nfs/dbraw/zinc/07/38/73/236073873.db2.gz AMPRXDBLPBKSJO-ZOBUZTSGSA-N 3 2 298.434 3.040 20 0 CGADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543501 236096164 /nfs/dbraw/zinc/09/61/64/236096164.db2.gz BZNCWCHRXQHIQS-FZMZJTMJSA-N 2 2 280.412 3.094 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c[nH+]cn1C(C)C)c1ccc(C)o1 ZINC000424175113 236128497 /nfs/dbraw/zinc/12/84/97/236128497.db2.gz NFFXTJFAKYNERX-OAHLLOKOSA-N 2 2 291.395 3.233 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cscn1 ZINC000162323723 299267726 /nfs/dbraw/zinc/26/77/26/299267726.db2.gz JKUOMBZJZLXDCB-JTQLQIEISA-N 2 2 267.442 3.103 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000294894542 199235903 /nfs/dbraw/zinc/23/59/03/199235903.db2.gz YPFUWDBTTDKDKI-IUODEOHRSA-N 2 2 289.448 3.076 20 0 CGADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000436285361 237071847 /nfs/dbraw/zinc/07/18/47/237071847.db2.gz DSDIPNOFSQSIDQ-RTBURBONSA-N 2 2 286.463 3.473 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000341595895 216026904 /nfs/dbraw/zinc/02/69/04/216026904.db2.gz QVQAENVYWVIJBU-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cn[nH]c2)[NH+]2CCCC2)cc1 ZINC000297883467 200299161 /nfs/dbraw/zinc/29/91/61/200299161.db2.gz VENNFLYBAMDZEJ-CRAIPNDOSA-N 2 2 298.434 3.206 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000297916084 200303290 /nfs/dbraw/zinc/30/32/90/200303290.db2.gz SSNTXNDIFCHFPE-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000297916084 200303292 /nfs/dbraw/zinc/30/32/92/200303292.db2.gz SSNTXNDIFCHFPE-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCCNc1cc(C)[nH+]c(C)n1 ZINC000298275336 200380050 /nfs/dbraw/zinc/38/00/50/200380050.db2.gz HUTQIZVNAFBVCT-UHFFFAOYSA-N 2 2 295.390 3.254 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023738 189021560 /nfs/dbraw/zinc/02/15/60/189021560.db2.gz RKLGYRJQQMZGHR-HOCLYGCPSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023738 189021561 /nfs/dbraw/zinc/02/15/61/189021561.db2.gz RKLGYRJQQMZGHR-HOCLYGCPSA-N 2 2 284.407 3.278 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000177226161 189038463 /nfs/dbraw/zinc/03/84/63/189038463.db2.gz ZQYPMPIIQVPMDE-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000177226161 189038464 /nfs/dbraw/zinc/03/84/64/189038464.db2.gz ZQYPMPIIQVPMDE-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP CC[N@@H+](c1ccc(NCc2[nH]cc[nH+]2)cc1)C(C)C ZINC000178800318 189147128 /nfs/dbraw/zinc/14/71/28/189147128.db2.gz DXYXJECOFMTLSC-UHFFFAOYSA-N 2 2 258.369 3.257 20 0 CGADLP CC[N@H+](c1ccc(NCc2[nH]cc[nH+]2)cc1)C(C)C ZINC000178800318 189147129 /nfs/dbraw/zinc/14/71/29/189147129.db2.gz DXYXJECOFMTLSC-UHFFFAOYSA-N 2 2 258.369 3.257 20 0 CGADLP Cc1cccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000179662402 189211230 /nfs/dbraw/zinc/21/12/30/189211230.db2.gz YXMXWBUGHPDGDD-UHFFFAOYSA-N 2 2 281.403 3.371 20 0 CGADLP Cc1cccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000179662402 189211231 /nfs/dbraw/zinc/21/12/31/189211231.db2.gz YXMXWBUGHPDGDD-UHFFFAOYSA-N 2 2 281.403 3.371 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000440061380 238292226 /nfs/dbraw/zinc/29/22/26/238292226.db2.gz JQNYRLQVGDTFMY-IIAWOOMASA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000440061380 238292232 /nfs/dbraw/zinc/29/22/32/238292232.db2.gz JQNYRLQVGDTFMY-IIAWOOMASA-N 2 2 250.430 3.124 20 0 CGADLP CCc1nc(Nc2ccc(CC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000342214076 216263016 /nfs/dbraw/zinc/26/30/16/216263016.db2.gz YJVITLBUPYRHBH-UHFFFAOYSA-N 2 2 284.407 3.195 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000423410402 299320965 /nfs/dbraw/zinc/32/09/65/299320965.db2.gz ADQWGOPTQVDRLM-SUMWQHHRSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182801003 189335783 /nfs/dbraw/zinc/33/57/83/189335783.db2.gz ZDSLAAKGBIBSJQ-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182801003 189335784 /nfs/dbraw/zinc/33/57/84/189335784.db2.gz ZDSLAAKGBIBSJQ-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301725311 201162257 /nfs/dbraw/zinc/16/22/57/201162257.db2.gz PNHSUNACLZOLEK-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301725311 201162259 /nfs/dbraw/zinc/16/22/59/201162259.db2.gz PNHSUNACLZOLEK-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cccnc3o2)C[C@H]1n1cc[nH+]c1 ZINC000449049803 239140825 /nfs/dbraw/zinc/14/08/25/239140825.db2.gz SDNFDPSPLSBQDP-XJKSGUPXSA-N 2 2 296.374 3.107 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)nc1 ZINC000449087422 239169375 /nfs/dbraw/zinc/16/93/75/239169375.db2.gz FUAOFWAXVRRMQZ-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449088917 239170865 /nfs/dbraw/zinc/17/08/65/239170865.db2.gz JCJCYCQYLOLFCD-DYVFJYSZSA-N 2 2 286.419 3.294 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000449109064 239184013 /nfs/dbraw/zinc/18/40/13/239184013.db2.gz XFXDONWLWVTWQE-YJBOKZPZSA-N 2 2 286.419 3.412 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449132299 239195940 /nfs/dbraw/zinc/19/59/40/239195940.db2.gz UAKWDEGEHQZPHQ-UKRRQHHQSA-N 2 2 284.403 3.190 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000449132299 239195949 /nfs/dbraw/zinc/19/59/49/239195949.db2.gz UAKWDEGEHQZPHQ-UKRRQHHQSA-N 2 2 284.403 3.190 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120236753 370752137 /nfs/dbraw/zinc/75/21/37/370752137.db2.gz PDYZPSGZQDUNJY-OTBWCIGPSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000120236753 370752138 /nfs/dbraw/zinc/75/21/38/370752138.db2.gz PDYZPSGZQDUNJY-OTBWCIGPSA-N 2 2 284.447 3.456 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706290 193109741 /nfs/dbraw/zinc/10/97/41/193109741.db2.gz RECGXIQGDRUHAT-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706290 193109742 /nfs/dbraw/zinc/10/97/42/193109742.db2.gz RECGXIQGDRUHAT-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706290 193109744 /nfs/dbraw/zinc/10/97/44/193109744.db2.gz RECGXIQGDRUHAT-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706290 193109745 /nfs/dbraw/zinc/10/97/45/193109745.db2.gz RECGXIQGDRUHAT-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c2c(OC)cccc12 ZINC000302453441 201453732 /nfs/dbraw/zinc/45/37/32/201453732.db2.gz PWTYEAXIMFFYLM-CYBMUJFWSA-N 2 2 287.407 3.386 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000459282650 242051072 /nfs/dbraw/zinc/05/10/72/242051072.db2.gz PTRMVHDQYGUJML-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000459282650 242051079 /nfs/dbraw/zinc/05/10/79/242051079.db2.gz PTRMVHDQYGUJML-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459344592 242081617 /nfs/dbraw/zinc/08/16/17/242081617.db2.gz HEWZEEYPEMFZSD-OAHLLOKOSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459344592 242081622 /nfs/dbraw/zinc/08/16/22/242081622.db2.gz HEWZEEYPEMFZSD-OAHLLOKOSA-N 2 2 296.361 3.360 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000459428848 242105240 /nfs/dbraw/zinc/10/52/40/242105240.db2.gz PRCIIULNYRKPHH-NWDGAFQWSA-N 2 2 284.806 3.360 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000459428848 242105244 /nfs/dbraw/zinc/10/52/44/242105244.db2.gz PRCIIULNYRKPHH-NWDGAFQWSA-N 2 2 284.806 3.360 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cc(C)cc2Cl)C1 ZINC000459393504 242096464 /nfs/dbraw/zinc/09/64/64/242096464.db2.gz RJXBFBDWFMMJMV-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cc(C)cc2Cl)C1 ZINC000459393504 242096468 /nfs/dbraw/zinc/09/64/68/242096468.db2.gz RJXBFBDWFMMJMV-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659470 242166932 /nfs/dbraw/zinc/16/69/32/242166932.db2.gz KDCNXHINFSOKBW-KBPBESRZSA-N 2 2 251.418 3.013 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000294924538 296109752 /nfs/dbraw/zinc/10/97/52/296109752.db2.gz CVVNQYFGLRQQHT-AIANPOQGSA-N 2 2 290.451 3.271 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000335498656 212178578 /nfs/dbraw/zinc/17/85/78/212178578.db2.gz SGEXULRNKVKXFV-ZFWWWQNUSA-N 2 2 269.392 3.028 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000481241381 243184811 /nfs/dbraw/zinc/18/48/11/243184811.db2.gz KONOFWFTWKVRLW-KRWDZBQOSA-N 2 2 262.441 3.103 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000481241381 243184817 /nfs/dbraw/zinc/18/48/17/243184817.db2.gz KONOFWFTWKVRLW-KRWDZBQOSA-N 2 2 262.441 3.103 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000484129606 243308365 /nfs/dbraw/zinc/30/83/65/243308365.db2.gz KGZPFONBTNBKNH-BRWVUGGUSA-N 2 2 296.499 3.149 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]CCC2CCCCC2)CC1 ZINC000483313835 243275436 /nfs/dbraw/zinc/27/54/36/243275436.db2.gz CCWIGXJFMWYXMD-UHFFFAOYSA-N 2 2 250.430 3.198 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]CCC2CCCCC2)CC1 ZINC000483313835 243275438 /nfs/dbraw/zinc/27/54/38/243275438.db2.gz CCWIGXJFMWYXMD-UHFFFAOYSA-N 2 2 250.430 3.198 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000484491393 243315350 /nfs/dbraw/zinc/31/53/50/243315350.db2.gz LGIXVPSYWNOASP-NVXWUHKLSA-N 2 2 292.492 3.391 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000484490832 243315818 /nfs/dbraw/zinc/31/58/18/243315818.db2.gz YLFDISXGEQTXRC-NVXWUHKLSA-N 2 2 292.492 3.391 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1F ZINC000019905782 368778734 /nfs/dbraw/zinc/77/87/34/368778734.db2.gz MGZZGJXNSXPGNA-LBPRGKRZSA-N 2 2 252.377 3.064 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(F)ccc1F ZINC000019905863 368779066 /nfs/dbraw/zinc/77/90/66/368779066.db2.gz MRTIKQBUNIUNRL-NSHDSACASA-N 2 2 270.367 3.203 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC([NH3+])CC1 ZINC000034958689 368983008 /nfs/dbraw/zinc/98/30/08/368983008.db2.gz ZZEBQBMSMAHZQC-SECBINFHSA-N 2 2 273.207 3.478 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996462 369047130 /nfs/dbraw/zinc/04/71/30/369047130.db2.gz IZDOPOAWVGNWJP-LSDHHAIUSA-N 2 2 298.352 3.422 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996462 369047133 /nfs/dbraw/zinc/04/71/33/369047133.db2.gz IZDOPOAWVGNWJP-LSDHHAIUSA-N 2 2 298.352 3.422 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996778 369048254 /nfs/dbraw/zinc/04/82/54/369048254.db2.gz BDKBCWFHSKWPRI-LSDHHAIUSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996778 369048259 /nfs/dbraw/zinc/04/82/59/369048259.db2.gz BDKBCWFHSKWPRI-LSDHHAIUSA-N 2 2 264.800 3.056 20 0 CGADLP c1csc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000034973341 368985744 /nfs/dbraw/zinc/98/57/44/368985744.db2.gz SJAKPUBKPZKHHX-MRXNPFEDSA-N 2 2 286.444 3.155 20 0 CGADLP c1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000034973341 368985752 /nfs/dbraw/zinc/98/57/52/368985752.db2.gz SJAKPUBKPZKHHX-MRXNPFEDSA-N 2 2 286.444 3.155 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000035017760 368990942 /nfs/dbraw/zinc/99/09/42/368990942.db2.gz RFGCKMOQJCZODS-UHFFFAOYSA-N 2 2 283.375 3.372 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157391 369072067 /nfs/dbraw/zinc/07/20/67/369072067.db2.gz YONOTPVYZIWPNP-GJZGRUSLSA-N 2 2 287.407 3.410 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccccc21 ZINC000037157320 369072252 /nfs/dbraw/zinc/07/22/52/369072252.db2.gz NMPGQHWLGCQEQE-JSGCOSHPSA-N 2 2 273.405 3.098 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000037157453 369072537 /nfs/dbraw/zinc/07/25/37/369072537.db2.gz HITBEWCDZFRWRL-CABCVRRESA-N 2 2 257.381 3.239 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037157156 369072744 /nfs/dbraw/zinc/07/27/44/369072744.db2.gz GXPSAIURVMYOIA-LSDHHAIUSA-N 2 2 257.381 3.239 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157602 369073226 /nfs/dbraw/zinc/07/32/26/369073226.db2.gz SJLXAZFIXKFVDH-KGLIPLIRSA-N 2 2 257.381 3.185 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2ccco2)c2ccccc2)CC1 ZINC000037977592 369129852 /nfs/dbraw/zinc/12/98/52/369129852.db2.gz RLMDIOKLBJVXMY-SFHVURJKSA-N 2 2 284.403 3.443 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000040502245 369158431 /nfs/dbraw/zinc/15/84/31/369158431.db2.gz AWKZZSQIINAWMA-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000040502245 369158432 /nfs/dbraw/zinc/15/84/32/369158432.db2.gz AWKZZSQIINAWMA-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CCCCCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063306 369170155 /nfs/dbraw/zinc/17/01/55/369170155.db2.gz FOMXCASRKIHVLF-UHFFFAOYSA-N 2 2 287.407 3.242 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269259 244278312 /nfs/dbraw/zinc/27/83/12/244278312.db2.gz WNJOOLSKEQRWOX-RHSMWYFYSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269259 244278316 /nfs/dbraw/zinc/27/83/16/244278316.db2.gz WNJOOLSKEQRWOX-RHSMWYFYSA-N 2 2 278.415 3.078 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494406439 244284810 /nfs/dbraw/zinc/28/48/10/244284810.db2.gz PNZHEYUPLCVFTG-ZDUSSCGKSA-N 2 2 295.386 3.296 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494423710 244287955 /nfs/dbraw/zinc/28/79/55/244287955.db2.gz GIXLADSJDOPIMD-CYBMUJFWSA-N 2 2 295.308 3.007 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000045663830 369283900 /nfs/dbraw/zinc/28/39/00/369283900.db2.gz IAAPKTZHUPGSGJ-LLVKDONJSA-N 2 2 272.795 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000495059107 244351286 /nfs/dbraw/zinc/35/12/86/244351286.db2.gz LXXLPVQWDZENEO-DVOMOZLQSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)c1 ZINC000495091129 244356114 /nfs/dbraw/zinc/35/61/14/244356114.db2.gz RFJGCYUKNPKOMN-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)c1 ZINC000495091129 244356120 /nfs/dbraw/zinc/35/61/20/244356120.db2.gz RFJGCYUKNPKOMN-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000495091129 244356125 /nfs/dbraw/zinc/35/61/25/244356125.db2.gz RFJGCYUKNPKOMN-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(C)c1 ZINC000495091129 244356131 /nfs/dbraw/zinc/35/61/31/244356131.db2.gz RFJGCYUKNPKOMN-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000495091121 244356176 /nfs/dbraw/zinc/35/61/76/244356176.db2.gz RFJGCYUKNPKOMN-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000495091121 244356180 /nfs/dbraw/zinc/35/61/80/244356180.db2.gz RFJGCYUKNPKOMN-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000495091121 244356183 /nfs/dbraw/zinc/35/61/83/244356183.db2.gz RFJGCYUKNPKOMN-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000495091121 244356186 /nfs/dbraw/zinc/35/61/86/244356186.db2.gz RFJGCYUKNPKOMN-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000053201283 369480840 /nfs/dbraw/zinc/48/08/40/369480840.db2.gz XLIGPWMGZSNOIB-HOTGVXAUSA-N 2 2 260.425 3.357 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000053201283 369480842 /nfs/dbraw/zinc/48/08/42/369480842.db2.gz XLIGPWMGZSNOIB-HOTGVXAUSA-N 2 2 260.425 3.357 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCO1 ZINC000061823393 369607883 /nfs/dbraw/zinc/60/78/83/369607883.db2.gz NPDMJZOXLYMBRD-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000061823356 369608884 /nfs/dbraw/zinc/60/88/84/369608884.db2.gz VLDCBCWYVQGTBH-HNNXBMFYSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000062077793 369617579 /nfs/dbraw/zinc/61/75/79/369617579.db2.gz ZTSBOOVGEONKTA-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150498 296148875 /nfs/dbraw/zinc/14/88/75/296148875.db2.gz ZFVQNAWHCJXNAL-IGCXYCKISA-N 2 2 258.409 3.355 20 0 CGADLP Cc1c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cnn1C(C)C ZINC000276588811 193392179 /nfs/dbraw/zinc/39/21/79/193392179.db2.gz WHXCVWJZCZBNSU-AWEZNQCLSA-N 2 2 286.423 3.369 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086957559 370023744 /nfs/dbraw/zinc/02/37/44/370023744.db2.gz FAILSCAZFIRRQB-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097929350 370257422 /nfs/dbraw/zinc/25/74/22/370257422.db2.gz LDZHOEWZXIMMEX-MRXNPFEDSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000098170615 370268134 /nfs/dbraw/zinc/26/81/34/370268134.db2.gz MKVUAFQIUOVOTH-TZMCWYRMSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000098170615 370268139 /nfs/dbraw/zinc/26/81/39/370268139.db2.gz MKVUAFQIUOVOTH-TZMCWYRMSA-N 2 2 293.480 3.157 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000109786688 370366417 /nfs/dbraw/zinc/36/64/17/370366417.db2.gz YJWSARXQSGODNB-UHFFFAOYSA-N 2 2 287.407 3.134 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000109786688 370366425 /nfs/dbraw/zinc/36/64/25/370366425.db2.gz YJWSARXQSGODNB-UHFFFAOYSA-N 2 2 287.407 3.134 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC[NH+]1CCCC1 ZINC000512986860 245059279 /nfs/dbraw/zinc/05/92/79/245059279.db2.gz YVIBVJOEDKFQCL-WYMLVPIESA-N 2 2 278.827 3.429 20 0 CGADLP OC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCCC1 ZINC000117947136 370602310 /nfs/dbraw/zinc/60/23/10/370602310.db2.gz DDYHBEZRMLUSJB-UHFFFAOYSA-N 2 2 299.418 3.047 20 0 CGADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116879295 370573609 /nfs/dbraw/zinc/57/36/09/370573609.db2.gz MIDLXPZOAIARDO-HNNXBMFYSA-N 2 2 269.392 3.324 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131754594 371127782 /nfs/dbraw/zinc/12/77/82/371127782.db2.gz NUXPKFWLCPPLQS-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131754594 371127785 /nfs/dbraw/zinc/12/77/85/371127785.db2.gz NUXPKFWLCPPLQS-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132279873 371164401 /nfs/dbraw/zinc/16/44/01/371164401.db2.gz GPLYWDSWBNHZAO-IBGZPJMESA-N 2 2 297.446 3.498 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1c(F)cccc1F ZINC000133787268 371278548 /nfs/dbraw/zinc/27/85/48/371278548.db2.gz RXMQHKLDDBQROO-SDDRHHMPSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cccc1F ZINC000133787268 371278551 /nfs/dbraw/zinc/27/85/51/371278551.db2.gz RXMQHKLDDBQROO-SDDRHHMPSA-N 2 2 268.351 3.098 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133973542 371292277 /nfs/dbraw/zinc/29/22/77/371292277.db2.gz JUZPHMZHRTYEEI-NVXWUHKLSA-N 2 2 283.419 3.459 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133983236 371294036 /nfs/dbraw/zinc/29/40/36/371294036.db2.gz SLAXRWCDIHTSPF-RDJZCZTQSA-N 2 2 296.418 3.349 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134781304 371364657 /nfs/dbraw/zinc/36/46/57/371364657.db2.gz SYEVQDBBRDCHSG-QWHCGFSZSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000134781304 371364663 /nfs/dbraw/zinc/36/46/63/371364663.db2.gz SYEVQDBBRDCHSG-QWHCGFSZSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000135200349 371399571 /nfs/dbraw/zinc/39/95/71/371399571.db2.gz YTTOICSBZITFTH-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000135200349 371399576 /nfs/dbraw/zinc/39/95/76/371399576.db2.gz YTTOICSBZITFTH-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344028825 217018434 /nfs/dbraw/zinc/01/84/34/217018434.db2.gz AZFGSSKJTVVECX-LUKYLMHMSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344028825 217018438 /nfs/dbraw/zinc/01/84/38/217018438.db2.gz AZFGSSKJTVVECX-LUKYLMHMSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000151128356 371574356 /nfs/dbraw/zinc/57/43/56/371574356.db2.gz QZWCZPFYNGMBRG-SNVBAGLBSA-N 2 2 283.297 3.041 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151151021 371575963 /nfs/dbraw/zinc/57/59/63/371575963.db2.gz PZRPNVDODGHGEM-GFCCVEGCSA-N 2 2 293.798 3.286 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2SC)[C@@H](C)C1 ZINC000287590981 371679176 /nfs/dbraw/zinc/67/91/76/371679176.db2.gz RNIBUQRNOCHXQV-SWLSCSKDSA-N 2 2 296.455 3.368 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2SC)[C@@H](C)C1 ZINC000287590981 371679186 /nfs/dbraw/zinc/67/91/86/371679186.db2.gz RNIBUQRNOCHXQV-SWLSCSKDSA-N 2 2 296.455 3.368 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000421838804 371661634 /nfs/dbraw/zinc/66/16/34/371661634.db2.gz VQAAZBMDPXNYDN-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000421838804 371661638 /nfs/dbraw/zinc/66/16/38/371661638.db2.gz VQAAZBMDPXNYDN-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCC1 ZINC000421839523 371663406 /nfs/dbraw/zinc/66/34/06/371663406.db2.gz XIYBVCNRADXKFV-HUUCEWRRSA-N 2 2 291.439 3.006 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152809791 371726174 /nfs/dbraw/zinc/72/61/74/371726174.db2.gz UCMWNCITSJCESE-CQSZACIVSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152827121 371727289 /nfs/dbraw/zinc/72/72/89/371727289.db2.gz FDUFGNHLPKIPFQ-HNNXBMFYSA-N 2 2 283.419 3.421 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000422718902 371766048 /nfs/dbraw/zinc/76/60/48/371766048.db2.gz XZZRWVCUCDDRSS-PVAVHDDUSA-N 2 2 282.472 3.092 20 0 CGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422765870 371792771 /nfs/dbraw/zinc/79/27/71/371792771.db2.gz PMYVTDQLTWBAIT-CVEARBPZSA-N 2 2 286.444 3.292 20 0 CGADLP C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCCC[NH2+]1 ZINC000422743529 371780195 /nfs/dbraw/zinc/78/01/95/371780195.db2.gz RQPDTAVRDFDHIY-CHWSQXEVSA-N 2 2 295.496 3.103 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422766528 371794056 /nfs/dbraw/zinc/79/40/56/371794056.db2.gz RSYOGXXWMHMERR-KBPBESRZSA-N 2 2 297.240 3.069 20 0 CGADLP COC[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000153856632 371793601 /nfs/dbraw/zinc/79/36/01/371793601.db2.gz UVGQXUMEOHUPKK-HOTGVXAUSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793724 371789389 /nfs/dbraw/zinc/78/93/89/371789389.db2.gz SHRWLTFMVCVRIC-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793724 371789399 /nfs/dbraw/zinc/78/93/99/371789399.db2.gz SHRWLTFMVCVRIC-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422772081 371797538 /nfs/dbraw/zinc/79/75/38/371797538.db2.gz YDXMIBOLKNDTBZ-KBPBESRZSA-N 2 2 286.341 3.326 20 0 CGADLP CC[C@@H]1C[C@]1([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000337381319 214041649 /nfs/dbraw/zinc/04/16/49/214041649.db2.gz DEBLORWJTXQVDB-NVXWUHKLSA-N 2 2 269.392 3.107 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422874710 371848587 /nfs/dbraw/zinc/84/85/87/371848587.db2.gz AQMRHWAGAXIOBN-IMJJTQAJSA-N 2 2 276.424 3.267 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)s1 ZINC000154524465 371853110 /nfs/dbraw/zinc/85/31/10/371853110.db2.gz VRZYBUSISCNOKK-WCQYABFASA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)s1 ZINC000154524465 371853116 /nfs/dbraw/zinc/85/31/16/371853116.db2.gz VRZYBUSISCNOKK-WCQYABFASA-N 2 2 252.427 3.110 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000154519958 371853248 /nfs/dbraw/zinc/85/32/48/371853248.db2.gz SDVMVTWJPIJYQI-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000154519958 371853254 /nfs/dbraw/zinc/85/32/54/371853254.db2.gz SDVMVTWJPIJYQI-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422927166 371875874 /nfs/dbraw/zinc/87/58/74/371875874.db2.gz FVQWDQQWNWELRJ-KKUMJFAQSA-N 2 2 276.449 3.344 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000290204224 371934192 /nfs/dbraw/zinc/93/41/92/371934192.db2.gz PWJGLPHPOZGESA-KDOFPFPSSA-N 2 2 282.387 3.434 20 0 CGADLP COc1cccc(C2([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422960582 371893496 /nfs/dbraw/zinc/89/34/96/371893496.db2.gz WWZNDJZDYIZSBJ-MSOLQXFVSA-N 2 2 294.398 3.419 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423003217 371910415 /nfs/dbraw/zinc/91/04/15/371910415.db2.gz LBRNIOPDOFOQNW-QYZOEREBSA-N 2 2 296.414 3.017 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166902 371919109 /nfs/dbraw/zinc/91/91/09/371919109.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166902 371919113 /nfs/dbraw/zinc/91/91/13/371919113.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166902 371919119 /nfs/dbraw/zinc/91/91/19/371919119.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166902 371919124 /nfs/dbraw/zinc/91/91/24/371919124.db2.gz YAYYDZYPIYUSQM-GMOCUTOCSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H](CCCC[NH3+])[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000423046254 371932233 /nfs/dbraw/zinc/93/22/33/371932233.db2.gz SZFSNPSZYHTPSE-WDEREUQCSA-N 2 2 268.367 3.461 20 0 CGADLP C[C@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423092512 371958670 /nfs/dbraw/zinc/95/86/70/371958670.db2.gz CBXGEONLSGFNBD-WVYASWFKSA-N 2 2 296.817 3.397 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000156196118 371966669 /nfs/dbraw/zinc/96/66/69/371966669.db2.gz JJFMVSYYMXHPOC-SJORKVTESA-N 2 2 278.440 3.084 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423129857 371982857 /nfs/dbraw/zinc/98/28/57/371982857.db2.gz FVFBRONGAMITNP-IUODEOHRSA-N 2 2 282.378 3.419 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000423135547 371985128 /nfs/dbraw/zinc/98/51/28/371985128.db2.gz UFOGNSUCQRWQHS-ADEWGFFLSA-N 2 2 284.856 3.367 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO[C@H]1C(C)C ZINC000290427091 371985987 /nfs/dbraw/zinc/98/59/87/371985987.db2.gz RJJRMRZGIDXQHV-MSOLQXFVSA-N 2 2 290.451 3.363 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423139652 371986298 /nfs/dbraw/zinc/98/62/98/371986298.db2.gz WBAROZBQUZSQNL-CABCVRRESA-N 2 2 282.378 3.419 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423139397 371987179 /nfs/dbraw/zinc/98/71/79/371987179.db2.gz ZSYRLJBOXRULQJ-DZGCQCFKSA-N 2 2 293.455 3.336 20 0 CGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000423152317 371994787 /nfs/dbraw/zinc/99/47/87/371994787.db2.gz FNTDXUQDWUGQIO-JCGIZDLHSA-N 2 2 298.434 3.047 20 0 CGADLP CC/C=C\C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423165457 371997901 /nfs/dbraw/zinc/99/79/01/371997901.db2.gz XYRHZPOAZDJPLX-OSNZYPHYSA-N 2 2 274.408 3.044 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423069766 371946173 /nfs/dbraw/zinc/94/61/73/371946173.db2.gz MALVNNTXGYWMAG-YOEHRIQHSA-N 2 2 276.424 3.014 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423193411 372018967 /nfs/dbraw/zinc/01/89/67/372018967.db2.gz QNXXXHLMJBNSPM-TZMCWYRMSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2cccs2)cc1 ZINC000423202100 372027197 /nfs/dbraw/zinc/02/71/97/372027197.db2.gz JZQBAPJLBVIAEK-DOMZBBRYSA-N 2 2 272.417 3.428 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cn1 ZINC000423204572 372027991 /nfs/dbraw/zinc/02/79/91/372027991.db2.gz UUCMNOAZDGWFOT-AWEZNQCLSA-N 2 2 279.403 3.313 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423205181 372029236 /nfs/dbraw/zinc/02/92/36/372029236.db2.gz BAXHBIWVRHCMSH-HIFRSBDPSA-N 2 2 273.424 3.377 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229088 372041700 /nfs/dbraw/zinc/04/17/00/372041700.db2.gz AGGAJVYBKUUVOI-NOZJJQNGSA-N 2 2 285.218 3.322 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423242861 372042656 /nfs/dbraw/zinc/04/26/56/372042656.db2.gz JNCLCOKUCVZVQE-AWEZNQCLSA-N 2 2 274.433 3.478 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423419228 372061492 /nfs/dbraw/zinc/06/14/92/372061492.db2.gz ILRNVWBDUOJXNL-RBUKOAKNSA-N 2 2 296.389 3.290 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423372605 372055085 /nfs/dbraw/zinc/05/50/85/372055085.db2.gz RFHWAFONEOASOQ-JOYOIKCWSA-N 2 2 270.829 3.204 20 0 CGADLP CSC1(C[NH2+]CCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000290811301 372056896 /nfs/dbraw/zinc/05/68/96/372056896.db2.gz GEWLYIYKCYJWSN-UHFFFAOYSA-N 2 2 289.448 3.220 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCCC1 ZINC000423175083 372004154 /nfs/dbraw/zinc/00/41/54/372004154.db2.gz CWUARMSFBVBTHS-GFCCVEGCSA-N 2 2 298.352 3.342 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177171 372006670 /nfs/dbraw/zinc/00/66/70/372006670.db2.gz ANLMTNIUENQDTN-ZBFHGGJFSA-N 2 2 258.409 3.022 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423455777 372065235 /nfs/dbraw/zinc/06/52/35/372065235.db2.gz CVAJAMXSBSHKSH-RYUDHWBXSA-N 2 2 276.380 3.138 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)C1CCCC1 ZINC000423502414 372070818 /nfs/dbraw/zinc/07/08/18/372070818.db2.gz LWNWZBYNQQOWKM-GJZGRUSLSA-N 2 2 280.362 3.059 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427868159 372177169 /nfs/dbraw/zinc/17/71/69/372177169.db2.gz CWVSBSJYUNJBSV-QZTJIDSGSA-N 2 2 297.446 3.363 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291143237 372125049 /nfs/dbraw/zinc/12/50/49/372125049.db2.gz HVGDGOPXQAXDHP-SFHVURJKSA-N 2 2 282.387 3.305 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672491 541868010 /nfs/dbraw/zinc/86/80/10/541868010.db2.gz RXOARILMVBBYTP-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000159280664 372127427 /nfs/dbraw/zinc/12/74/27/372127427.db2.gz XMIALTXKFCYFQB-HNNXBMFYSA-N 2 2 263.429 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672491 541868013 /nfs/dbraw/zinc/86/80/13/541868013.db2.gz RXOARILMVBBYTP-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672636 541870690 /nfs/dbraw/zinc/87/06/90/541870690.db2.gz ILLJETHZGOVKSD-WMLDXEAASA-N 2 2 272.436 3.483 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672636 541870695 /nfs/dbraw/zinc/87/06/95/541870695.db2.gz ILLJETHZGOVKSD-WMLDXEAASA-N 2 2 272.436 3.483 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@@H+]1C ZINC000344333451 217155656 /nfs/dbraw/zinc/15/56/56/217155656.db2.gz PRMOOJUHUMNMRI-HNAYVOBHSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@H+]1C ZINC000344333451 217155658 /nfs/dbraw/zinc/15/56/58/217155658.db2.gz PRMOOJUHUMNMRI-HNAYVOBHSA-N 2 2 295.430 3.321 20 0 CGADLP CCc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293398953 372374717 /nfs/dbraw/zinc/37/47/17/372374717.db2.gz RCACFPBCONPEHK-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293398953 372374723 /nfs/dbraw/zinc/37/47/23/372374723.db2.gz RCACFPBCONPEHK-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000162614016 372406020 /nfs/dbraw/zinc/40/60/20/372406020.db2.gz XULMPRGLYXLXOQ-UHFFFAOYSA-N 2 2 290.436 3.048 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000162614016 372406025 /nfs/dbraw/zinc/40/60/25/372406025.db2.gz XULMPRGLYXLXOQ-UHFFFAOYSA-N 2 2 290.436 3.048 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227938 372455359 /nfs/dbraw/zinc/45/53/59/372455359.db2.gz ZAXCOIIRYOESKS-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227938 372455366 /nfs/dbraw/zinc/45/53/66/372455366.db2.gz ZAXCOIIRYOESKS-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288346 372570100 /nfs/dbraw/zinc/57/01/00/372570100.db2.gz SPEVDSDPPQGTSL-JRPNMDOOSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288346 372570114 /nfs/dbraw/zinc/57/01/14/372570114.db2.gz SPEVDSDPPQGTSL-JRPNMDOOSA-N 2 2 280.362 3.241 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689213 372599943 /nfs/dbraw/zinc/59/99/43/372599943.db2.gz VSVLXNWVRBXRQD-NVXWUHKLSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689213 372599951 /nfs/dbraw/zinc/59/99/51/372599951.db2.gz VSVLXNWVRBXRQD-NVXWUHKLSA-N 2 2 290.451 3.355 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000168660665 372614683 /nfs/dbraw/zinc/61/46/83/372614683.db2.gz JJTWNTFTAUBDHY-CQSZACIVSA-N 2 2 269.392 3.377 20 0 CGADLP CC(C)[N@H+]1CC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000168660665 372614688 /nfs/dbraw/zinc/61/46/88/372614688.db2.gz JJTWNTFTAUBDHY-CQSZACIVSA-N 2 2 269.392 3.377 20 0 CGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000294289069 372639418 /nfs/dbraw/zinc/63/94/18/372639418.db2.gz UDQGKORMANIYBJ-RHSMWYFYSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)o1 ZINC000353386123 220057089 /nfs/dbraw/zinc/05/70/89/220057089.db2.gz VLAPHPALNGNELZ-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)o1 ZINC000353386123 220057091 /nfs/dbraw/zinc/05/70/91/220057091.db2.gz VLAPHPALNGNELZ-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Clc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000435054600 372731802 /nfs/dbraw/zinc/73/18/02/372731802.db2.gz DAEJGPGAYZYSKH-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000435054600 372731811 /nfs/dbraw/zinc/73/18/11/372731811.db2.gz DAEJGPGAYZYSKH-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP Cc1cccn2c(C[NH2+]C3CCC4(CC4)CC3)c[nH+]c12 ZINC000434772662 372707651 /nfs/dbraw/zinc/70/76/51/372707651.db2.gz DONYPXXFFVUHDY-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000295352037 372748040 /nfs/dbraw/zinc/74/80/40/372748040.db2.gz IRYPDOKHZPHWGW-OEUWWYETSA-N 2 2 285.391 3.089 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1sccc1C)CCC2 ZINC000344549162 217228750 /nfs/dbraw/zinc/22/87/50/217228750.db2.gz PCASQRMIEXHHDY-CYBMUJFWSA-N 2 2 275.421 3.229 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000344553337 217228984 /nfs/dbraw/zinc/22/89/84/217228984.db2.gz LUWBUBWVRKEOFD-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344553337 217228986 /nfs/dbraw/zinc/22/89/86/217228986.db2.gz LUWBUBWVRKEOFD-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP CC[N@H+](Cc1ncc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435628306 372786649 /nfs/dbraw/zinc/78/66/49/372786649.db2.gz QESOFJIHAVCDAU-MRXNPFEDSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435628306 372786656 /nfs/dbraw/zinc/78/66/56/372786656.db2.gz QESOFJIHAVCDAU-MRXNPFEDSA-N 2 2 299.418 3.306 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730195 372798134 /nfs/dbraw/zinc/79/81/34/372798134.db2.gz GKDJLWNSOLWWNO-CUBALJKWSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730195 372798138 /nfs/dbraw/zinc/79/81/38/372798138.db2.gz GKDJLWNSOLWWNO-CUBALJKWSA-N 2 2 278.827 3.126 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438082117 372872044 /nfs/dbraw/zinc/87/20/44/372872044.db2.gz AUBYENNPWUHYOC-WMZOPIPTSA-N 2 2 274.452 3.427 20 0 CGADLP CC[C@H](F)C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767433 372992329 /nfs/dbraw/zinc/99/23/29/372992329.db2.gz UMHYNXNJJZUIIV-KKUMJFAQSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767433 372992340 /nfs/dbraw/zinc/99/23/40/372992340.db2.gz UMHYNXNJJZUIIV-KKUMJFAQSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC000440767433 372992346 /nfs/dbraw/zinc/99/23/46/372992346.db2.gz UMHYNXNJJZUIIV-KKUMJFAQSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@H](F)C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC000440767433 372992358 /nfs/dbraw/zinc/99/23/58/372992358.db2.gz UMHYNXNJJZUIIV-KKUMJFAQSA-N 2 2 276.415 3.269 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC(C)(F)F)n2c1 ZINC000296145279 373036824 /nfs/dbraw/zinc/03/68/24/373036824.db2.gz VMSJXZMHZUCWGI-UHFFFAOYSA-N 2 2 267.323 3.168 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296238612 373064039 /nfs/dbraw/zinc/06/40/39/373064039.db2.gz ARZKMOXYUPGFLB-VXGBXAGGSA-N 2 2 293.798 3.039 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cn1 ZINC000296333370 373093229 /nfs/dbraw/zinc/09/32/29/373093229.db2.gz HKAGKGNNNCMANS-NDNKKMJESA-N 2 2 279.815 3.011 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cn1 ZINC000296333370 373093237 /nfs/dbraw/zinc/09/32/37/373093237.db2.gz HKAGKGNNNCMANS-NDNKKMJESA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561815 220157925 /nfs/dbraw/zinc/15/79/25/220157925.db2.gz ASGSWSAKZAXLLP-LRDDRELGSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561815 220157927 /nfs/dbraw/zinc/15/79/27/220157927.db2.gz ASGSWSAKZAXLLP-LRDDRELGSA-N 2 2 286.444 3.474 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000173352052 373130933 /nfs/dbraw/zinc/13/09/33/373130933.db2.gz LJNUKTODHYMUSA-TZMCWYRMSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000173352052 373130943 /nfs/dbraw/zinc/13/09/43/373130943.db2.gz LJNUKTODHYMUSA-TZMCWYRMSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC000174628564 373346654 /nfs/dbraw/zinc/34/66/54/373346654.db2.gz PHMCCRSYZIFPHZ-IUODEOHRSA-N 2 2 266.816 3.160 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@H](C)C1 ZINC000174628564 373346659 /nfs/dbraw/zinc/34/66/59/373346659.db2.gz PHMCCRSYZIFPHZ-IUODEOHRSA-N 2 2 266.816 3.160 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000446770804 373362259 /nfs/dbraw/zinc/36/22/59/373362259.db2.gz WJWDKTUKUFENIE-QGZVFWFLSA-N 2 2 272.436 3.422 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000446770804 373362268 /nfs/dbraw/zinc/36/22/68/373362268.db2.gz WJWDKTUKUFENIE-QGZVFWFLSA-N 2 2 272.436 3.422 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813674 373495235 /nfs/dbraw/zinc/49/52/35/373495235.db2.gz UABJJHFVBLGBAW-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813674 373495241 /nfs/dbraw/zinc/49/52/41/373495241.db2.gz UABJJHFVBLGBAW-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP Cc1ccc(CCC[NH+](CC2CC2)CC2CC2)c[nH+]1 ZINC000353647810 220220811 /nfs/dbraw/zinc/22/08/11/220220811.db2.gz HONCJHFIYWEEDT-UHFFFAOYSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cc(NCCC[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000301067769 373646461 /nfs/dbraw/zinc/64/64/61/373646461.db2.gz KNYZDNHJTFNWMW-UHFFFAOYSA-N 2 2 276.428 3.196 20 0 CGADLP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301073454 373647642 /nfs/dbraw/zinc/64/76/42/373647642.db2.gz FEEGASBKTIGQIP-CYBMUJFWSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301073454 373647653 /nfs/dbraw/zinc/64/76/53/373647653.db2.gz FEEGASBKTIGQIP-CYBMUJFWSA-N 2 2 276.428 3.052 20 0 CGADLP CC[NH+](CC)CCN(Cc1[nH+]ccn1C(C)C)CC(C)C ZINC000177096397 373654196 /nfs/dbraw/zinc/65/41/96/373654196.db2.gz KJEXAQALTTVMNC-UHFFFAOYSA-N 2 2 294.487 3.264 20 0 CGADLP C[C@@H]1CCC[C@@](CNc2cc[nH+]c(C3CC3)n2)([NH+](C)C)C1 ZINC000301224700 373698272 /nfs/dbraw/zinc/69/82/72/373698272.db2.gz CWKSPLDXNXOTET-CXAGYDPISA-N 2 2 288.439 3.276 20 0 CGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CCc1nccs1 ZINC000353652007 220227907 /nfs/dbraw/zinc/22/79/07/220227907.db2.gz QQORJUIPXZDOCB-UHFFFAOYSA-N 2 2 289.448 3.344 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCc1nccs1 ZINC000353652007 220227909 /nfs/dbraw/zinc/22/79/09/220227909.db2.gz QQORJUIPXZDOCB-UHFFFAOYSA-N 2 2 289.448 3.344 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccco1 ZINC000177936044 373726802 /nfs/dbraw/zinc/72/68/02/373726802.db2.gz FHYXNYABCUDHRY-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP CC1CC[NH+](CCNc2cc[nH+]c3ccsc32)CC1 ZINC000301365645 373760235 /nfs/dbraw/zinc/76/02/35/373760235.db2.gz QAOZPYIUKWYAKK-UHFFFAOYSA-N 2 2 275.421 3.440 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449760045 373887993 /nfs/dbraw/zinc/88/79/93/373887993.db2.gz LKQXIUSEPYJRLR-IAGOWNOFSA-N 2 2 276.424 3.260 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000180433794 374007243 /nfs/dbraw/zinc/00/72/43/374007243.db2.gz YPAREVGMKLVZQR-CQSZACIVSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000180433794 374007246 /nfs/dbraw/zinc/00/72/46/374007246.db2.gz YPAREVGMKLVZQR-CQSZACIVSA-N 2 2 266.816 3.032 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000180503519 374014356 /nfs/dbraw/zinc/01/43/56/374014356.db2.gz LQKFDKDKWFJGPR-UHFFFAOYSA-N 2 2 286.341 3.022 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000180503519 374014359 /nfs/dbraw/zinc/01/43/59/374014359.db2.gz LQKFDKDKWFJGPR-UHFFFAOYSA-N 2 2 286.341 3.022 20 0 CGADLP CCc1ncc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000353673769 220246507 /nfs/dbraw/zinc/24/65/07/220246507.db2.gz SSWBRALFRMDDNQ-ZDUSSCGKSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000353673769 220246511 /nfs/dbraw/zinc/24/65/11/220246511.db2.gz SSWBRALFRMDDNQ-ZDUSSCGKSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000353673769 220246514 /nfs/dbraw/zinc/24/65/14/220246514.db2.gz SSWBRALFRMDDNQ-ZDUSSCGKSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000353673769 220246517 /nfs/dbraw/zinc/24/65/17/220246517.db2.gz SSWBRALFRMDDNQ-ZDUSSCGKSA-N 2 2 281.469 3.012 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450631973 374167587 /nfs/dbraw/zinc/16/75/87/374167587.db2.gz JKTCMXZXLQNWIR-UONOGXRCSA-N 2 2 297.393 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450631973 374167592 /nfs/dbraw/zinc/16/75/92/374167592.db2.gz JKTCMXZXLQNWIR-UONOGXRCSA-N 2 2 297.393 3.110 20 0 CGADLP COc1ccc[nH+]c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725747 374193114 /nfs/dbraw/zinc/19/31/14/374193114.db2.gz NONRWVJBEUYUNE-MRXNPFEDSA-N 2 2 297.402 3.024 20 0 CGADLP COc1ccc[nH+]c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725747 374193118 /nfs/dbraw/zinc/19/31/18/374193118.db2.gz NONRWVJBEUYUNE-MRXNPFEDSA-N 2 2 297.402 3.024 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087401 374217777 /nfs/dbraw/zinc/21/77/77/374217777.db2.gz CJRBLAOZVGFMDT-HUUCEWRRSA-N 2 2 263.429 3.111 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087401 374217783 /nfs/dbraw/zinc/21/77/83/374217783.db2.gz CJRBLAOZVGFMDT-HUUCEWRRSA-N 2 2 263.429 3.111 20 0 CGADLP C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000182234588 374240659 /nfs/dbraw/zinc/24/06/59/374240659.db2.gz KXIQVTAZPKQVOI-HNNXBMFYSA-N 2 2 294.826 3.238 20 0 CGADLP CC(C)Oc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000317087926 374337821 /nfs/dbraw/zinc/33/78/21/374337821.db2.gz LEAWSNJCOAPNBB-IAGOWNOFSA-N 2 2 297.402 3.103 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nccs1 ZINC000183198330 374384122 /nfs/dbraw/zinc/38/41/22/374384122.db2.gz GQUYPHNQXLAAMH-BFHYXJOUSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nccs1 ZINC000183198330 374384129 /nfs/dbraw/zinc/38/41/29/374384129.db2.gz GQUYPHNQXLAAMH-BFHYXJOUSA-N 2 2 293.480 3.447 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907523 541942441 /nfs/dbraw/zinc/94/24/41/541942441.db2.gz KHJPHJOJGKRTJW-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907523 541942445 /nfs/dbraw/zinc/94/24/45/541942445.db2.gz KHJPHJOJGKRTJW-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403392 374472901 /nfs/dbraw/zinc/47/29/01/374472901.db2.gz QNWQVBAMPOQYNY-CJNGLKHVSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403392 374472904 /nfs/dbraw/zinc/47/29/04/374472904.db2.gz QNWQVBAMPOQYNY-CJNGLKHVSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000453406821 374475409 /nfs/dbraw/zinc/47/54/09/374475409.db2.gz UKZMEENQMIDLRA-DZGCQCFKSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000453406821 374475411 /nfs/dbraw/zinc/47/54/11/374475411.db2.gz UKZMEENQMIDLRA-DZGCQCFKSA-N 2 2 262.441 3.172 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000462070681 374832158 /nfs/dbraw/zinc/83/21/58/374832158.db2.gz AMDWZEVKUPAUKH-CGTJXYLNSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000462070681 374832162 /nfs/dbraw/zinc/83/21/62/374832162.db2.gz AMDWZEVKUPAUKH-CGTJXYLNSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000186313546 374832271 /nfs/dbraw/zinc/83/22/71/374832271.db2.gz YFDBYXFRPFOOKO-CQSZACIVSA-N 2 2 261.413 3.442 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000463744210 374848728 /nfs/dbraw/zinc/84/87/28/374848728.db2.gz IAHFTDORKWQLQA-NVXWUHKLSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000463744210 374848733 /nfs/dbraw/zinc/84/87/33/374848733.db2.gz IAHFTDORKWQLQA-NVXWUHKLSA-N 2 2 290.451 3.438 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000474471319 375113704 /nfs/dbraw/zinc/11/37/04/375113704.db2.gz BYQXZUKKPPSXKK-LJQANCHMSA-N 2 2 280.415 3.470 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000474472340 375114018 /nfs/dbraw/zinc/11/40/18/375114018.db2.gz VYRCDMHAUDYHPN-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000474472340 375114025 /nfs/dbraw/zinc/11/40/25/375114025.db2.gz VYRCDMHAUDYHPN-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000474606127 375119031 /nfs/dbraw/zinc/11/90/31/375119031.db2.gz JZVAZRHVMIZZTM-BZUAXINKSA-N 2 2 263.429 3.324 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000474606130 375120041 /nfs/dbraw/zinc/12/00/41/375120041.db2.gz JZVAZRHVMIZZTM-OWCLPIDISA-N 2 2 263.429 3.324 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000188450191 375216629 /nfs/dbraw/zinc/21/66/29/375216629.db2.gz QQHHGLRNIAMZLH-DOTOQJQBSA-N 2 2 258.409 3.205 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000188450191 375216633 /nfs/dbraw/zinc/21/66/33/375216633.db2.gz QQHHGLRNIAMZLH-DOTOQJQBSA-N 2 2 258.409 3.205 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCC23CCCC3)[nH+]c2ccccn12 ZINC000189055956 375316277 /nfs/dbraw/zinc/31/62/77/375316277.db2.gz PTUNQLYDNTVHIF-OAHLLOKOSA-N 2 2 269.392 3.189 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189066441 375318746 /nfs/dbraw/zinc/31/87/46/375318746.db2.gz XEVKQLBNIQEHGT-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189066441 375318753 /nfs/dbraw/zinc/31/87/53/375318753.db2.gz XEVKQLBNIQEHGT-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220633 296228757 /nfs/dbraw/zinc/22/87/57/296228757.db2.gz ZEAPTYQQEYTGNR-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220633 296228759 /nfs/dbraw/zinc/22/87/59/296228759.db2.gz ZEAPTYQQEYTGNR-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220633 296228761 /nfs/dbraw/zinc/22/87/61/296228761.db2.gz ZEAPTYQQEYTGNR-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220633 296228763 /nfs/dbraw/zinc/22/87/63/296228763.db2.gz ZEAPTYQQEYTGNR-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)n1 ZINC000335757498 375404764 /nfs/dbraw/zinc/40/47/64/375404764.db2.gz KGVZJFQZODNWCM-KGLIPLIRSA-N 2 2 291.464 3.047 20 0 CGADLP Cc1csc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)n1 ZINC000335757498 375404770 /nfs/dbraw/zinc/40/47/70/375404770.db2.gz KGVZJFQZODNWCM-KGLIPLIRSA-N 2 2 291.464 3.047 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190327083 375495849 /nfs/dbraw/zinc/49/58/49/375495849.db2.gz LDZAZEKDUWEVOC-UHFFFAOYSA-N 2 2 261.413 3.357 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190327083 375495859 /nfs/dbraw/zinc/49/58/59/375495859.db2.gz LDZAZEKDUWEVOC-UHFFFAOYSA-N 2 2 261.413 3.357 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000130768687 542065889 /nfs/dbraw/zinc/06/58/89/542065889.db2.gz DPNNCLOMVBSSPV-KRWDZBQOSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193473797 375883715 /nfs/dbraw/zinc/88/37/15/375883715.db2.gz MJEXRPQUESLODW-AWEZNQCLSA-N 2 2 264.388 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193473797 375883723 /nfs/dbraw/zinc/88/37/23/375883723.db2.gz MJEXRPQUESLODW-AWEZNQCLSA-N 2 2 264.388 3.304 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000336652745 375895484 /nfs/dbraw/zinc/89/54/84/375895484.db2.gz IXENBUAHGCZKLU-QMMMGPOBSA-N 2 2 281.252 3.485 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H]1CCC=CO1 ZINC000194181529 375968637 /nfs/dbraw/zinc/96/86/37/375968637.db2.gz SOKUQZCCRXDCIV-OAHLLOKOSA-N 2 2 285.391 3.017 20 0 CGADLP [NH3+]CC[N@H+](CCCCC1CCOCC1)Cc1ccccc1 ZINC000336720683 375921642 /nfs/dbraw/zinc/92/16/42/375921642.db2.gz UTPOGJPBNGFOIN-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP [NH3+]CC[N@@H+](CCCCC1CCOCC1)Cc1ccccc1 ZINC000336720683 375921648 /nfs/dbraw/zinc/92/16/48/375921648.db2.gz UTPOGJPBNGFOIN-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536682341 376121213 /nfs/dbraw/zinc/12/12/13/376121213.db2.gz HVNNXFQXTPBOIO-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000536682341 376121218 /nfs/dbraw/zinc/12/12/18/376121218.db2.gz HVNNXFQXTPBOIO-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000536682341 376121225 /nfs/dbraw/zinc/12/12/25/376121225.db2.gz HVNNXFQXTPBOIO-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000536682341 376121230 /nfs/dbraw/zinc/12/12/30/376121230.db2.gz HVNNXFQXTPBOIO-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000337331966 376212304 /nfs/dbraw/zinc/21/23/04/376212304.db2.gz IXLQLEWSWOKZNU-OAHLLOKOSA-N 2 2 290.455 3.219 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000337399617 376218568 /nfs/dbraw/zinc/21/85/68/376218568.db2.gz OZIVULRJCFELCU-IRXDYDNUSA-N 2 2 272.436 3.082 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1Br ZINC000221783867 376221990 /nfs/dbraw/zinc/22/19/90/376221990.db2.gz FNNDPNJMSWYCPP-UHFFFAOYSA-N 2 2 299.256 3.269 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1Br ZINC000221783867 376221994 /nfs/dbraw/zinc/22/19/94/376221994.db2.gz FNNDPNJMSWYCPP-UHFFFAOYSA-N 2 2 299.256 3.269 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000221911094 376222508 /nfs/dbraw/zinc/22/25/08/376222508.db2.gz CBDHOPYOQNIRQJ-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000221911094 376222515 /nfs/dbraw/zinc/22/25/15/376222515.db2.gz CBDHOPYOQNIRQJ-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000222916056 376243310 /nfs/dbraw/zinc/24/33/10/376243310.db2.gz VJSBCUSPLVYWRH-KMFMINBZSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000222916056 376243317 /nfs/dbraw/zinc/24/33/17/376243317.db2.gz VJSBCUSPLVYWRH-KMFMINBZSA-N 2 2 258.409 3.353 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@@H](C)C1 ZINC000538955086 376281187 /nfs/dbraw/zinc/28/11/87/376281187.db2.gz YMLKDWYXGMXDHK-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@@H](C)C1 ZINC000538955086 376281192 /nfs/dbraw/zinc/28/11/92/376281192.db2.gz YMLKDWYXGMXDHK-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](C)C1 ZINC000538955086 376281198 /nfs/dbraw/zinc/28/11/98/376281198.db2.gz YMLKDWYXGMXDHK-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@@H](C)C1 ZINC000538955086 376281201 /nfs/dbraw/zinc/28/12/01/376281201.db2.gz YMLKDWYXGMXDHK-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000225358211 376304239 /nfs/dbraw/zinc/30/42/39/376304239.db2.gz DJIHPHSCTBATIJ-DZGCQCFKSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000225358211 376304240 /nfs/dbraw/zinc/30/42/40/376304240.db2.gz DJIHPHSCTBATIJ-DZGCQCFKSA-N 2 2 269.392 3.438 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000540184285 376364140 /nfs/dbraw/zinc/36/41/40/376364140.db2.gz YPFOLTGFAMFJCQ-PVAVHDDUSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)C1 ZINC000540184285 376364150 /nfs/dbraw/zinc/36/41/50/376364150.db2.gz YPFOLTGFAMFJCQ-PVAVHDDUSA-N 2 2 272.436 3.458 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226636736 376367863 /nfs/dbraw/zinc/36/78/63/376367863.db2.gz CHEOQTIBGOLCAO-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000226636736 376367874 /nfs/dbraw/zinc/36/78/74/376367874.db2.gz CHEOQTIBGOLCAO-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000541206611 376426668 /nfs/dbraw/zinc/42/66/68/376426668.db2.gz GBQXEQCFNOLOED-WLYUNCDWSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000541206611 376426673 /nfs/dbraw/zinc/42/66/73/376426673.db2.gz GBQXEQCFNOLOED-WLYUNCDWSA-N 2 2 276.399 3.003 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC000263680395 190072965 /nfs/dbraw/zinc/07/29/65/190072965.db2.gz HZSSNFWDRLWOCT-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC000263680395 190072966 /nfs/dbraw/zinc/07/29/66/190072966.db2.gz HZSSNFWDRLWOCT-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC000263763176 190077199 /nfs/dbraw/zinc/07/71/99/190077199.db2.gz VAUMHPYTULFHLE-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC000263763176 190077200 /nfs/dbraw/zinc/07/72/00/190077200.db2.gz VAUMHPYTULFHLE-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000541588122 376462453 /nfs/dbraw/zinc/46/24/53/376462453.db2.gz QUGYWDNSCRHYFL-IRXDYDNUSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000230407975 376513470 /nfs/dbraw/zinc/51/34/70/376513470.db2.gz HNAXEJQOHOLPKF-NXEZZACHSA-N 2 2 269.801 3.337 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338693806 376484043 /nfs/dbraw/zinc/48/40/43/376484043.db2.gz LWWFNNFCJSHROF-USXIJHARSA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517589 376553913 /nfs/dbraw/zinc/55/39/13/376553913.db2.gz GGSAKABPHHTZNM-SJLPKXTDSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517589 376553919 /nfs/dbraw/zinc/55/39/19/376553919.db2.gz GGSAKABPHHTZNM-SJLPKXTDSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000338903489 376567143 /nfs/dbraw/zinc/56/71/43/376567143.db2.gz LITBSQSWHZJWKI-UHFFFAOYSA-N 2 2 275.440 3.039 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780840 376530656 /nfs/dbraw/zinc/53/06/56/376530656.db2.gz OLNNFNYXCJFWKS-UAGQMJEPSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)[N@H+]1C ZINC000338786854 376535688 /nfs/dbraw/zinc/53/56/88/376535688.db2.gz QEFGOFFLWZSBRE-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)[N@@H+]1C ZINC000338786854 376535695 /nfs/dbraw/zinc/53/56/95/376535695.db2.gz QEFGOFFLWZSBRE-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]([NH2+]Cc1cncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000136252900 542090367 /nfs/dbraw/zinc/09/03/67/542090367.db2.gz FXNRJZACWCIBMC-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000545161147 376791951 /nfs/dbraw/zinc/79/19/51/376791951.db2.gz LYFRWSWBRZNFSL-IRXDYDNUSA-N 2 2 262.441 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000545161147 376791956 /nfs/dbraw/zinc/79/19/56/376791956.db2.gz LYFRWSWBRZNFSL-IRXDYDNUSA-N 2 2 262.441 3.197 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)C(C)(C)C)[nH+]c12 ZINC000156338473 542127870 /nfs/dbraw/zinc/12/78/70/542127870.db2.gz FYHHJWHRNRFOBM-CYBMUJFWSA-N 2 2 259.397 3.209 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646764 542135355 /nfs/dbraw/zinc/13/53/55/542135355.db2.gz APJQXZDQRSKDMF-WMZOPIPTSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646764 542135360 /nfs/dbraw/zinc/13/53/60/542135360.db2.gz APJQXZDQRSKDMF-WMZOPIPTSA-N 2 2 288.435 3.220 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000556816761 376885731 /nfs/dbraw/zinc/88/57/31/376885731.db2.gz OIOAJUBEOUGDBQ-MRXNPFEDSA-N 2 2 294.508 3.436 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715715 376888945 /nfs/dbraw/zinc/88/89/45/376888945.db2.gz CTZUFRAQVKBJII-OCCSQVGLSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245715715 376888952 /nfs/dbraw/zinc/88/89/52/376888952.db2.gz CTZUFRAQVKBJII-OCCSQVGLSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000556871676 376895201 /nfs/dbraw/zinc/89/52/01/376895201.db2.gz LLUCUFZODXRMCS-WFASDCNBSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000556871676 376895211 /nfs/dbraw/zinc/89/52/11/376895211.db2.gz LLUCUFZODXRMCS-WFASDCNBSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000340401102 377038157 /nfs/dbraw/zinc/03/81/57/377038157.db2.gz RKHSYTWKIMUXSY-STQMWFEESA-N 2 2 284.831 3.391 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000558241038 376989042 /nfs/dbraw/zinc/98/90/42/376989042.db2.gz MCHDECXATIJIQK-CEXWTWQISA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000558241038 376989049 /nfs/dbraw/zinc/98/90/49/376989049.db2.gz MCHDECXATIJIQK-CEXWTWQISA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1F)[NH+]1CCCCC1 ZINC000340518386 377115443 /nfs/dbraw/zinc/11/54/43/377115443.db2.gz SJUFKMKFQSRRMJ-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(C2CCC2)c[nH+]1 ZINC000559352844 377084669 /nfs/dbraw/zinc/08/46/69/377084669.db2.gz WGBSFWJNEOZIIB-UHFFFAOYSA-N 2 2 256.353 3.178 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000246940935 377124497 /nfs/dbraw/zinc/12/44/97/377124497.db2.gz GWMBKHASOFNHBC-JSGCOSHPSA-N 2 2 279.428 3.151 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000246940935 377124504 /nfs/dbraw/zinc/12/45/04/377124504.db2.gz GWMBKHASOFNHBC-JSGCOSHPSA-N 2 2 279.428 3.151 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000247287798 377189892 /nfs/dbraw/zinc/18/98/92/377189892.db2.gz YYSHIIIRQNIVAJ-IVSAIRAKSA-N 2 2 288.435 3.462 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000247287798 377189899 /nfs/dbraw/zinc/18/98/99/377189899.db2.gz YYSHIIIRQNIVAJ-IVSAIRAKSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000247287798 377189909 /nfs/dbraw/zinc/18/99/09/377189909.db2.gz YYSHIIIRQNIVAJ-IVSAIRAKSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000247287798 377189918 /nfs/dbraw/zinc/18/99/18/377189918.db2.gz YYSHIIIRQNIVAJ-IVSAIRAKSA-N 2 2 288.435 3.462 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247647334 377230127 /nfs/dbraw/zinc/23/01/27/377230127.db2.gz OYPNMZYQFRLYOJ-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247647334 377230136 /nfs/dbraw/zinc/23/01/36/377230136.db2.gz OYPNMZYQFRLYOJ-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000561906554 377251908 /nfs/dbraw/zinc/25/19/08/377251908.db2.gz LSDPERIGPLFGPP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000561906554 377251916 /nfs/dbraw/zinc/25/19/16/377251916.db2.gz LSDPERIGPLFGPP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000248064126 377264217 /nfs/dbraw/zinc/26/42/17/377264217.db2.gz ZEAGUJJSDGGRFL-HIFRSBDPSA-N 2 2 293.430 3.027 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000248064126 377264225 /nfs/dbraw/zinc/26/42/25/377264225.db2.gz ZEAGUJJSDGGRFL-HIFRSBDPSA-N 2 2 293.430 3.027 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC000562104034 377278499 /nfs/dbraw/zinc/27/84/99/377278499.db2.gz YHTDANSCDLXKIM-RDJZCZTQSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)CC2 ZINC000562104034 377278504 /nfs/dbraw/zinc/27/85/04/377278504.db2.gz YHTDANSCDLXKIM-RDJZCZTQSA-N 2 2 281.403 3.398 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000248535051 377338420 /nfs/dbraw/zinc/33/84/20/377338420.db2.gz WYKPIDGQYBTVBI-ZIAGYGMSSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000248535051 377338428 /nfs/dbraw/zinc/33/84/28/377338428.db2.gz WYKPIDGQYBTVBI-ZIAGYGMSSA-N 2 2 250.386 3.195 20 0 CGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CC1(C)CC1)C1CC1 ZINC000562328864 377296211 /nfs/dbraw/zinc/29/62/11/377296211.db2.gz KUCQQLPUJZXWOC-QGZVFWFLSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CC1(C)CC1)C1CC1 ZINC000562328864 377296222 /nfs/dbraw/zinc/29/62/22/377296222.db2.gz KUCQQLPUJZXWOC-QGZVFWFLSA-N 2 2 272.436 3.287 20 0 CGADLP CC1CC[NH+](CCSc2[nH+]cc3ccccn32)CC1 ZINC000340882489 377301626 /nfs/dbraw/zinc/30/16/26/377301626.db2.gz SNKGDABCEGUDRY-UHFFFAOYSA-N 2 2 275.421 3.158 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000562443600 377309245 /nfs/dbraw/zinc/30/92/45/377309245.db2.gz KLQTUBBHLPXBQH-HYVNUMGLSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000562443600 377309249 /nfs/dbraw/zinc/30/92/49/377309249.db2.gz KLQTUBBHLPXBQH-HYVNUMGLSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000562443600 377309255 /nfs/dbraw/zinc/30/92/55/377309255.db2.gz KLQTUBBHLPXBQH-HYVNUMGLSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000562443600 377309261 /nfs/dbraw/zinc/30/92/61/377309261.db2.gz KLQTUBBHLPXBQH-HYVNUMGLSA-N 2 2 258.409 3.225 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248631687 377371724 /nfs/dbraw/zinc/37/17/24/377371724.db2.gz ICLBIYPFJDVOEN-JKSUJKDBSA-N 2 2 260.425 3.110 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248631687 377371729 /nfs/dbraw/zinc/37/17/29/377371729.db2.gz ICLBIYPFJDVOEN-JKSUJKDBSA-N 2 2 260.425 3.110 20 0 CGADLP CC[N@H+](C)Cc1cccc(CNc2cccc[nH+]2)c1 ZINC000264947157 190146858 /nfs/dbraw/zinc/14/68/58/190146858.db2.gz ULNAOHPRTZIFMI-UHFFFAOYSA-N 2 2 255.365 3.145 20 0 CGADLP CC[N@@H+](C)Cc1cccc(CNc2cccc[nH+]2)c1 ZINC000264947157 190146859 /nfs/dbraw/zinc/14/68/59/190146859.db2.gz ULNAOHPRTZIFMI-UHFFFAOYSA-N 2 2 255.365 3.145 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562667326 377345688 /nfs/dbraw/zinc/34/56/88/377345688.db2.gz YIEXEFSKDVLTOR-TZMCWYRMSA-N 2 2 295.386 3.234 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000562667326 377345694 /nfs/dbraw/zinc/34/56/94/377345694.db2.gz YIEXEFSKDVLTOR-TZMCWYRMSA-N 2 2 295.386 3.234 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248559233 377346937 /nfs/dbraw/zinc/34/69/37/377346937.db2.gz IZOKZEPDWSCUKL-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248559233 377346944 /nfs/dbraw/zinc/34/69/44/377346944.db2.gz IZOKZEPDWSCUKL-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563352221 377445802 /nfs/dbraw/zinc/44/58/02/377445802.db2.gz BCGNNGQXPCLUGQ-KRWDZBQOSA-N 2 2 283.419 3.190 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1CCCc1c[nH+]cn1C ZINC000563352221 377445806 /nfs/dbraw/zinc/44/58/06/377445806.db2.gz BCGNNGQXPCLUGQ-KRWDZBQOSA-N 2 2 283.419 3.190 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)n1C ZINC000563439227 377465815 /nfs/dbraw/zinc/46/58/15/377465815.db2.gz KBBSTSHSGRABQD-ZDUSSCGKSA-N 2 2 271.408 3.184 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)n1C ZINC000563438605 377466185 /nfs/dbraw/zinc/46/61/85/377466185.db2.gz CASILVOXTQKQJY-CYBMUJFWSA-N 2 2 287.407 3.367 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cc3cc(C)ccc3o2)n1C ZINC000563441387 377466484 /nfs/dbraw/zinc/46/64/84/377466484.db2.gz AEHQSZAEGSRGJU-UHFFFAOYSA-N 2 2 269.348 3.073 20 0 CGADLP CO[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341270387 377480256 /nfs/dbraw/zinc/48/02/56/377480256.db2.gz LQMXVVAVSVISQA-YJBOKZPZSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1c(F)cccc1F ZINC000341282248 377488698 /nfs/dbraw/zinc/48/86/98/377488698.db2.gz ICFLJVANNJFHLG-QWHCGFSZSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1c(F)cccc1F ZINC000341282248 377488706 /nfs/dbraw/zinc/48/87/06/377488706.db2.gz ICFLJVANNJFHLG-QWHCGFSZSA-N 2 2 282.378 3.490 20 0 CGADLP CSC[C@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000275182294 249066269 /nfs/dbraw/zinc/06/62/69/249066269.db2.gz AZXSCUUPEGPPFY-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CSC[C@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000275182294 249066273 /nfs/dbraw/zinc/06/62/73/249066273.db2.gz AZXSCUUPEGPPFY-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](CCC(C)C)C1CC1)C1CC1 ZINC000302493286 249079452 /nfs/dbraw/zinc/07/94/52/249079452.db2.gz JLRPPNIMPUBJLK-INIZCTEOSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](CCC(C)C)C1CC1)C1CC1 ZINC000302493286 249079453 /nfs/dbraw/zinc/07/94/53/249079453.db2.gz JLRPPNIMPUBJLK-INIZCTEOSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000459400165 249149453 /nfs/dbraw/zinc/14/94/53/249149453.db2.gz ZORKDERKHCMXFA-OAHLLOKOSA-N 2 2 283.419 3.455 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000459400165 249149456 /nfs/dbraw/zinc/14/94/56/249149456.db2.gz ZORKDERKHCMXFA-OAHLLOKOSA-N 2 2 283.419 3.455 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000469869611 249161232 /nfs/dbraw/zinc/16/12/32/249161232.db2.gz GRPAZMOTDVDFEX-CQSZACIVSA-N 2 2 292.473 3.494 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000469869611 249161234 /nfs/dbraw/zinc/16/12/34/249161234.db2.gz GRPAZMOTDVDFEX-CQSZACIVSA-N 2 2 292.473 3.494 20 0 CGADLP Fc1ccc(/C=C/C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000470017463 249166474 /nfs/dbraw/zinc/16/64/74/249166474.db2.gz IVZXMAVFOBMSIF-OWOJBTEDSA-N 2 2 288.410 3.303 20 0 CGADLP c1cn(-c2ccc(CSCC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC000514788932 249188935 /nfs/dbraw/zinc/18/89/35/249188935.db2.gz AQZHYKGGLABZBH-UHFFFAOYSA-N 2 2 287.432 3.105 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000516914584 249248951 /nfs/dbraw/zinc/24/89/51/249248951.db2.gz PWUWWWKOMMXMSL-GHMZBOCLSA-N 2 2 278.783 3.425 20 0 CGADLP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc2ccccc21 ZINC000516490814 249234366 /nfs/dbraw/zinc/23/43/66/249234366.db2.gz ODUBZILAHZTIEF-UHFFFAOYSA-N 2 2 284.403 3.031 20 0 CGADLP [NH3+]C1(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000178795488 542199504 /nfs/dbraw/zinc/19/95/04/542199504.db2.gz VMDLXCNYETVVPN-UHFFFAOYSA-N 2 2 297.358 3.084 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000178310565 542196343 /nfs/dbraw/zinc/19/63/43/542196343.db2.gz IIVJLNFKIFWYPB-AWEZNQCLSA-N 2 2 298.377 3.425 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000251903973 377605335 /nfs/dbraw/zinc/60/53/35/377605335.db2.gz WQUKMFBDTAJSPC-JOYOIKCWSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000251903973 377605342 /nfs/dbraw/zinc/60/53/42/377605342.db2.gz WQUKMFBDTAJSPC-JOYOIKCWSA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000181059331 542217421 /nfs/dbraw/zinc/21/74/21/542217421.db2.gz CODFFYQCZCHXLU-OAHLLOKOSA-N 2 2 275.371 3.399 20 0 CGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341895202 377622974 /nfs/dbraw/zinc/62/29/74/377622974.db2.gz NQVYEWFODUHTMY-UWWQBHOKSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000252708764 377652334 /nfs/dbraw/zinc/65/23/34/377652334.db2.gz BAWJGOOIDNWNGK-SGPHBRAGSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C[N@H+]1C1CC1 ZINC000252708764 377652337 /nfs/dbraw/zinc/65/23/37/377652337.db2.gz BAWJGOOIDNWNGK-SGPHBRAGSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252714470 377654866 /nfs/dbraw/zinc/65/48/66/377654866.db2.gz SBIPIJAJNRDHSH-XPABHHOTSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252714470 377654879 /nfs/dbraw/zinc/65/48/79/377654879.db2.gz SBIPIJAJNRDHSH-XPABHHOTSA-N 2 2 250.430 3.026 20 0 CGADLP CC(C)C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342695115 377738257 /nfs/dbraw/zinc/73/82/57/377738257.db2.gz WNJYOBHIMPFACI-CQSZACIVSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342695115 377738264 /nfs/dbraw/zinc/73/82/64/377738264.db2.gz WNJYOBHIMPFACI-CQSZACIVSA-N 2 2 257.381 3.345 20 0 CGADLP COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000255840135 377781353 /nfs/dbraw/zinc/78/13/53/377781353.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000255840135 377781363 /nfs/dbraw/zinc/78/13/63/377781363.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000255840135 377781374 /nfs/dbraw/zinc/78/13/74/377781374.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000255840135 377781384 /nfs/dbraw/zinc/78/13/84/377781384.db2.gz BOGDNQRNEAHPAA-MJWHDNRXSA-N 2 2 288.435 3.123 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000342719319 377754393 /nfs/dbraw/zinc/75/43/93/377754393.db2.gz ASVLNYUCDBUFJW-MHVXSEJMSA-N 2 2 258.409 3.210 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000342719319 377754402 /nfs/dbraw/zinc/75/44/02/377754402.db2.gz ASVLNYUCDBUFJW-MHVXSEJMSA-N 2 2 258.409 3.210 20 0 CGADLP c1ccc(COc2cccc(C[NH2+]C[C@H]3CCC[NH2+]3)c2)cc1 ZINC000261547933 377816563 /nfs/dbraw/zinc/81/65/63/377816563.db2.gz MUXIDWYVMDDQCD-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261587497 377823970 /nfs/dbraw/zinc/82/39/70/377823970.db2.gz JMIMYBSCRHHQAA-ABAIWWIYSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261587497 377823975 /nfs/dbraw/zinc/82/39/75/377823975.db2.gz JMIMYBSCRHHQAA-ABAIWWIYSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000255957158 377791626 /nfs/dbraw/zinc/79/16/26/377791626.db2.gz ICVUNXGLGBFGRC-KBAYOESNSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000262061453 377883887 /nfs/dbraw/zinc/88/38/87/377883887.db2.gz VXMZHWOEDFZEPY-ZYSHUDEJSA-N 2 2 280.415 3.483 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000262061453 377883891 /nfs/dbraw/zinc/88/38/91/377883891.db2.gz VXMZHWOEDFZEPY-ZYSHUDEJSA-N 2 2 280.415 3.483 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262079556 377884951 /nfs/dbraw/zinc/88/49/51/377884951.db2.gz SWKZXSCCFZZBLY-MRXNPFEDSA-N 2 2 290.794 3.272 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262079556 377884956 /nfs/dbraw/zinc/88/49/56/377884956.db2.gz SWKZXSCCFZZBLY-MRXNPFEDSA-N 2 2 290.794 3.272 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)C[C@@H]1[NH3+] ZINC000262141171 377887640 /nfs/dbraw/zinc/88/76/40/377887640.db2.gz ZDFNMGFWOODYNJ-QAPCUYQASA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)C[C@@H]1[NH3+] ZINC000262141171 377887646 /nfs/dbraw/zinc/88/76/46/377887646.db2.gz ZDFNMGFWOODYNJ-QAPCUYQASA-N 2 2 296.414 3.045 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261747652 377849639 /nfs/dbraw/zinc/84/96/39/377849639.db2.gz BZTPYEBNDLGUCL-YIONKMFJSA-N 2 2 276.399 3.103 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261747652 377849643 /nfs/dbraw/zinc/84/96/43/377849643.db2.gz BZTPYEBNDLGUCL-YIONKMFJSA-N 2 2 276.399 3.103 20 0 CGADLP Fc1ccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000342916976 377858282 /nfs/dbraw/zinc/85/82/82/377858282.db2.gz LZGFTSIWUZLGMK-OAHLLOKOSA-N 2 2 295.361 3.463 20 0 CGADLP Fc1ccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000342916976 377858289 /nfs/dbraw/zinc/85/82/89/377858289.db2.gz LZGFTSIWUZLGMK-OAHLLOKOSA-N 2 2 295.361 3.463 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000343158846 377916537 /nfs/dbraw/zinc/91/65/37/377916537.db2.gz JFRIHLBEIRZQII-RDJZCZTQSA-N 2 2 272.436 3.038 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)[C@@H](C)C1 ZINC000343158846 377916544 /nfs/dbraw/zinc/91/65/44/377916544.db2.gz JFRIHLBEIRZQII-RDJZCZTQSA-N 2 2 272.436 3.038 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576033235 378008655 /nfs/dbraw/zinc/00/86/55/378008655.db2.gz FQOLUUZVZCUCGG-IINYFYTJSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576033235 378008659 /nfs/dbraw/zinc/00/86/59/378008659.db2.gz FQOLUUZVZCUCGG-IINYFYTJSA-N 2 2 287.794 3.198 20 0 CGADLP c1c[nH+]c(C2CCN(c3cc[nH+]c4ccsc43)CC2)[nH]1 ZINC000266179164 378016408 /nfs/dbraw/zinc/01/64/08/378016408.db2.gz AIEDJIFBEYJDDD-UHFFFAOYSA-N 2 2 284.388 3.403 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000343456026 377985927 /nfs/dbraw/zinc/98/59/27/377985927.db2.gz CUDJWPOQZQZKSR-XEZPLFJOSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)[C@@H](C)C1 ZINC000343456026 377985930 /nfs/dbraw/zinc/98/59/30/377985930.db2.gz CUDJWPOQZQZKSR-XEZPLFJOSA-N 2 2 278.465 3.399 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000577989737 378028510 /nfs/dbraw/zinc/02/85/10/378028510.db2.gz QLWNDVFLQSFYMF-QWHCGFSZSA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000577989737 378028518 /nfs/dbraw/zinc/02/85/18/378028518.db2.gz QLWNDVFLQSFYMF-QWHCGFSZSA-N 2 2 261.413 3.073 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000578443397 378070207 /nfs/dbraw/zinc/07/02/07/378070207.db2.gz RPVIVOKHVITYIT-LJQANCHMSA-N 2 2 280.415 3.096 20 0 CGADLP Cc1ccc(CC[N@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000578443397 378070210 /nfs/dbraw/zinc/07/02/10/378070210.db2.gz RPVIVOKHVITYIT-LJQANCHMSA-N 2 2 280.415 3.096 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873949 378137810 /nfs/dbraw/zinc/13/78/10/378137810.db2.gz DJAQUYURDBDTKT-JRPNMDOOSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873949 378137815 /nfs/dbraw/zinc/13/78/15/378137815.db2.gz DJAQUYURDBDTKT-JRPNMDOOSA-N 2 2 284.806 3.297 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000268873901 378138687 /nfs/dbraw/zinc/13/86/87/378138687.db2.gz DGZFXHNQCKTCEV-CYBMUJFWSA-N 2 2 262.397 3.256 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343826244 378105441 /nfs/dbraw/zinc/10/54/41/378105441.db2.gz AHXIKJZZQPNONS-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1sccc1Br ZINC000579822364 378198932 /nfs/dbraw/zinc/19/89/32/378198932.db2.gz BLHDMBKGYZVEDG-SCZZXKLOSA-N 2 2 291.258 3.145 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000345154035 378206699 /nfs/dbraw/zinc/20/66/99/378206699.db2.gz CNGKXTFQQXFZRQ-NHYWBVRUSA-N 2 2 270.367 3.346 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1C ZINC000582073343 378284244 /nfs/dbraw/zinc/28/42/44/378284244.db2.gz AZLHITNSUREFEH-RBSFLKMASA-N 2 2 261.413 3.177 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000580270906 378236055 /nfs/dbraw/zinc/23/60/55/378236055.db2.gz QHCGIMQYEAGIML-KRWDZBQOSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000583302079 378319041 /nfs/dbraw/zinc/31/90/41/378319041.db2.gz KSJJQIJMKOGNFT-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000583302079 378319045 /nfs/dbraw/zinc/31/90/45/378319045.db2.gz KSJJQIJMKOGNFT-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000346118106 378468444 /nfs/dbraw/zinc/46/84/44/378468444.db2.gz DAJWIIDFPMNRPC-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000346118106 378468449 /nfs/dbraw/zinc/46/84/49/378468449.db2.gz DAJWIIDFPMNRPC-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP Cc1nc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc[nH+]1 ZINC000346175534 378491872 /nfs/dbraw/zinc/49/18/72/378491872.db2.gz AKKMBFCYKYXEHB-QGZVFWFLSA-N 2 2 298.434 3.354 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000346222195 378510042 /nfs/dbraw/zinc/51/00/42/378510042.db2.gz RXSGOMJLNSXZDD-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP Clc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000271988511 378538861 /nfs/dbraw/zinc/53/88/61/378538861.db2.gz PPWUAUKPBXGNJA-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000271988511 378538868 /nfs/dbraw/zinc/53/88/68/378538868.db2.gz PPWUAUKPBXGNJA-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC[N@@H+]1C ZINC000346321868 378543239 /nfs/dbraw/zinc/54/32/39/378543239.db2.gz FJWMPPWXJXBJNG-DTZQCDIJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC[N@H+]1C ZINC000346321868 378543241 /nfs/dbraw/zinc/54/32/41/378543241.db2.gz FJWMPPWXJXBJNG-DTZQCDIJSA-N 2 2 250.430 3.028 20 0 CGADLP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000266117266 190232056 /nfs/dbraw/zinc/23/20/56/190232056.db2.gz LMAHWAGGWQAZKR-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@@H+]1C ZINC000346345635 378553550 /nfs/dbraw/zinc/55/35/50/378553550.db2.gz WYMUQWCKSMQNAY-LHUBUQBQSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@H+]1C ZINC000346345635 378553554 /nfs/dbraw/zinc/55/35/54/378553554.db2.gz WYMUQWCKSMQNAY-LHUBUQBQSA-N 2 2 258.409 3.005 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000346445347 378581584 /nfs/dbraw/zinc/58/15/84/378581584.db2.gz QAQWWTVUOZNJDG-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000346445347 378581590 /nfs/dbraw/zinc/58/15/90/378581590.db2.gz QAQWWTVUOZNJDG-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000346554454 378618935 /nfs/dbraw/zinc/61/89/35/378618935.db2.gz IGBPEIUBQOAOEM-BFYDXBDKSA-N 2 2 296.499 3.290 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4ncccc34)CC2)[nH]1 ZINC000637985109 378658652 /nfs/dbraw/zinc/65/86/52/378658652.db2.gz DSZNOHVWFGOBSY-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)CC(C)(C)C[NH3+] ZINC000346689629 378677064 /nfs/dbraw/zinc/67/70/64/378677064.db2.gz ZQVVSQHECIQNJH-UHFFFAOYSA-N 2 2 292.320 3.261 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)CC(C)(C)C[NH3+] ZINC000346689629 378677068 /nfs/dbraw/zinc/67/70/68/378677068.db2.gz ZQVVSQHECIQNJH-UHFFFAOYSA-N 2 2 292.320 3.261 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000272623110 378679550 /nfs/dbraw/zinc/67/95/50/378679550.db2.gz YMLYQAFRIICKCO-UHFFFAOYSA-N 2 2 292.370 3.255 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000272709614 378692190 /nfs/dbraw/zinc/69/21/90/378692190.db2.gz XEYKUEZWYUIGJQ-UHFFFAOYSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000638287224 378755744 /nfs/dbraw/zinc/75/57/44/378755744.db2.gz SDTROEWZASEBCH-IMJJTQAJSA-N 2 2 294.389 3.457 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000348065224 378773693 /nfs/dbraw/zinc/77/36/93/378773693.db2.gz BKWFVKCKGUOSSL-KBPBESRZSA-N 2 2 257.381 3.123 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346803111 218019446 /nfs/dbraw/zinc/01/94/46/218019446.db2.gz UYPMUBLGJMVXRJ-DZKIICNBSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346803111 218019447 /nfs/dbraw/zinc/01/94/47/218019447.db2.gz UYPMUBLGJMVXRJ-DZKIICNBSA-N 2 2 276.424 3.137 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CCCC1CCCCC1)CC2 ZINC000348184576 378828273 /nfs/dbraw/zinc/82/82/73/378828273.db2.gz HXXZSZJGVOOSOW-HNNXBMFYSA-N 2 2 261.413 3.148 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638601708 378846840 /nfs/dbraw/zinc/84/68/40/378846840.db2.gz OHNQSQZULKOHKW-RDJZCZTQSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@@H]12 ZINC000348234962 378852422 /nfs/dbraw/zinc/85/24/22/378852422.db2.gz YOCHXXDBVNZCAR-SNPRPXQTSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@@H]12 ZINC000348234962 378852431 /nfs/dbraw/zinc/85/24/31/378852431.db2.gz YOCHXXDBVNZCAR-SNPRPXQTSA-N 2 2 293.480 3.215 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348242842 378859105 /nfs/dbraw/zinc/85/91/05/378859105.db2.gz LDCNAMBIRQPVJT-QZTJIDSGSA-N 2 2 272.436 3.112 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000346992067 218083308 /nfs/dbraw/zinc/08/33/08/218083308.db2.gz AHOPBIBHTGKPSH-OCCSQVGLSA-N 2 2 281.469 3.043 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000346992067 218083309 /nfs/dbraw/zinc/08/33/09/218083309.db2.gz AHOPBIBHTGKPSH-OCCSQVGLSA-N 2 2 281.469 3.043 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000348334431 378914479 /nfs/dbraw/zinc/91/44/79/378914479.db2.gz PEVXJGKMOBVIOR-HNNXBMFYSA-N 2 2 266.816 3.332 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1SC ZINC000346998400 218084525 /nfs/dbraw/zinc/08/45/25/218084525.db2.gz CUWWQJMKMISFPN-JSGCOSHPSA-N 2 2 294.464 3.119 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1SC ZINC000346998400 218084527 /nfs/dbraw/zinc/08/45/27/218084527.db2.gz CUWWQJMKMISFPN-JSGCOSHPSA-N 2 2 294.464 3.119 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1SC ZINC000346998405 218085126 /nfs/dbraw/zinc/08/51/26/218085126.db2.gz CUWWQJMKMISFPN-TZMCWYRMSA-N 2 2 294.464 3.119 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1SC ZINC000346998405 218085128 /nfs/dbraw/zinc/08/51/28/218085128.db2.gz CUWWQJMKMISFPN-TZMCWYRMSA-N 2 2 294.464 3.119 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347031541 218098110 /nfs/dbraw/zinc/09/81/10/218098110.db2.gz ADNALORZAWQKER-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347031541 218098113 /nfs/dbraw/zinc/09/81/13/218098113.db2.gz ADNALORZAWQKER-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347118013 218128278 /nfs/dbraw/zinc/12/82/78/218128278.db2.gz VAKHLLMKLQBOOJ-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347118013 218128280 /nfs/dbraw/zinc/12/82/80/218128280.db2.gz VAKHLLMKLQBOOJ-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000347069738 218112080 /nfs/dbraw/zinc/11/20/80/218112080.db2.gz OSDVEFWUGQPRIG-UHFFFAOYSA-N 2 2 298.377 3.089 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccsc1 ZINC000276969656 379033881 /nfs/dbraw/zinc/03/38/81/379033881.db2.gz TZGPLHHOENZRLG-OCCSQVGLSA-N 2 2 263.410 3.464 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639132412 379058268 /nfs/dbraw/zinc/05/82/68/379058268.db2.gz BALGDPZZDRJMGU-AEGPPILISA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639132412 379058275 /nfs/dbraw/zinc/05/82/75/379058275.db2.gz BALGDPZZDRJMGU-AEGPPILISA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277085068 379062650 /nfs/dbraw/zinc/06/26/50/379062650.db2.gz FMKXSRWXWJIIOU-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277085068 379062653 /nfs/dbraw/zinc/06/26/53/379062653.db2.gz FMKXSRWXWJIIOU-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(C(F)(F)F)CC1 ZINC000348864876 379089985 /nfs/dbraw/zinc/08/99/85/379089985.db2.gz CHRIHFUTFSDXJY-UHFFFAOYSA-N 2 2 272.314 3.255 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000277204393 379097147 /nfs/dbraw/zinc/09/71/47/379097147.db2.gz JQUBVKDCYRSPSN-CABCVRRESA-N 2 2 293.480 3.393 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000277204395 379098136 /nfs/dbraw/zinc/09/81/36/379098136.db2.gz JQUBVKDCYRSPSN-GJZGRUSLSA-N 2 2 293.480 3.393 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277342887 379136040 /nfs/dbraw/zinc/13/60/40/379136040.db2.gz WFJLZDRSTJIITC-OLZOCXBDSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277342887 379136050 /nfs/dbraw/zinc/13/60/50/379136050.db2.gz WFJLZDRSTJIITC-OLZOCXBDSA-N 2 2 282.378 3.442 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349124025 379163538 /nfs/dbraw/zinc/16/35/38/379163538.db2.gz AONYZXCYKBKCAT-XHSDSOJGSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349124025 379163544 /nfs/dbraw/zinc/16/35/44/379163544.db2.gz AONYZXCYKBKCAT-XHSDSOJGSA-N 2 2 273.424 3.202 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277689952 379217259 /nfs/dbraw/zinc/21/72/59/379217259.db2.gz LCFNJTOHPLIPKC-QGZVFWFLSA-N 2 2 283.419 3.394 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277689952 379217262 /nfs/dbraw/zinc/21/72/62/379217262.db2.gz LCFNJTOHPLIPKC-QGZVFWFLSA-N 2 2 283.419 3.394 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000350895840 284772504 /nfs/dbraw/zinc/77/25/04/284772504.db2.gz LDTQVIICQQXPME-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000346554459 284772712 /nfs/dbraw/zinc/77/27/12/284772712.db2.gz IGBPEIUBQOAOEM-HLLBOEOZSA-N 2 2 296.499 3.290 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000569048465 322233169 /nfs/dbraw/zinc/23/31/69/322233169.db2.gz XCVPALYAAYHWCH-AJNGGQMLSA-N 2 2 252.446 3.416 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000569048465 322233170 /nfs/dbraw/zinc/23/31/70/322233170.db2.gz XCVPALYAAYHWCH-AJNGGQMLSA-N 2 2 252.446 3.416 20 0 CGADLP CCc1ncc(C[N@@H+](CC)CCC[NH+](CC)CC)s1 ZINC000349413360 379273679 /nfs/dbraw/zinc/27/36/79/379273679.db2.gz DPMQPYITFGLOLG-UHFFFAOYSA-N 2 2 283.485 3.259 20 0 CGADLP CCc1ncc(C[N@H+](CC)CCC[NH+](CC)CC)s1 ZINC000349413360 379273684 /nfs/dbraw/zinc/27/36/84/379273684.db2.gz DPMQPYITFGLOLG-UHFFFAOYSA-N 2 2 283.485 3.259 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000639374730 379330748 /nfs/dbraw/zinc/33/07/48/379330748.db2.gz JWWKFNMTJCOXNZ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000639378147 379337644 /nfs/dbraw/zinc/33/76/44/379337644.db2.gz CMFKUTDMHYLARS-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccno1 ZINC000374522235 379452859 /nfs/dbraw/zinc/45/28/59/379452859.db2.gz SBBBYGNZXMNSPY-QGZVFWFLSA-N 2 2 299.418 3.065 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccno1 ZINC000374522235 379452868 /nfs/dbraw/zinc/45/28/68/379452868.db2.gz SBBBYGNZXMNSPY-QGZVFWFLSA-N 2 2 299.418 3.065 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2Cl)CC1 ZINC000349961163 379458419 /nfs/dbraw/zinc/45/84/19/379458419.db2.gz BWISACKQILKEAU-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2Cl)CC1 ZINC000349961163 379458426 /nfs/dbraw/zinc/45/84/26/379458426.db2.gz BWISACKQILKEAU-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000279568120 379460466 /nfs/dbraw/zinc/46/04/66/379460466.db2.gz AIAPLKUYSNHDCD-IBGZPJMESA-N 2 2 295.430 3.163 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000639648301 379526881 /nfs/dbraw/zinc/52/68/81/379526881.db2.gz MWPGCNONUGYNRY-IAGOWNOFSA-N 2 2 288.435 3.396 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000639648301 379526888 /nfs/dbraw/zinc/52/68/88/379526888.db2.gz MWPGCNONUGYNRY-IAGOWNOFSA-N 2 2 288.435 3.396 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377398707 379671988 /nfs/dbraw/zinc/67/19/88/379671988.db2.gz JWKMPWSHPYDFFR-RRFJBIMHSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377398707 379671992 /nfs/dbraw/zinc/67/19/92/379671992.db2.gz JWKMPWSHPYDFFR-RRFJBIMHSA-N 2 2 275.440 3.462 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000639987118 379676375 /nfs/dbraw/zinc/67/63/75/379676375.db2.gz WSUHWDNYRUOYOO-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000347733292 218338326 /nfs/dbraw/zinc/33/83/26/218338326.db2.gz OYLLJXROVYLPGI-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347733292 218338329 /nfs/dbraw/zinc/33/83/29/218338329.db2.gz OYLLJXROVYLPGI-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000267292257 190318788 /nfs/dbraw/zinc/31/87/88/190318788.db2.gz RPLBNOYWGJRNHF-QAPCUYQASA-N 2 2 284.403 3.280 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000267292257 190318789 /nfs/dbraw/zinc/31/87/89/190318789.db2.gz RPLBNOYWGJRNHF-QAPCUYQASA-N 2 2 284.403 3.280 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000378343412 379807686 /nfs/dbraw/zinc/80/76/86/379807686.db2.gz UCGJIRGTELIKIU-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000347755062 218346451 /nfs/dbraw/zinc/34/64/51/218346451.db2.gz XEWXAAJWPFSQRV-MRXNPFEDSA-N 2 2 275.440 3.397 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000347755062 218346453 /nfs/dbraw/zinc/34/64/53/218346453.db2.gz XEWXAAJWPFSQRV-MRXNPFEDSA-N 2 2 275.440 3.397 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267428060 190330343 /nfs/dbraw/zinc/33/03/43/190330343.db2.gz LUTHOJFDFCTVIE-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267428060 190330344 /nfs/dbraw/zinc/33/03/44/190330344.db2.gz LUTHOJFDFCTVIE-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP CSc1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000352792715 379963595 /nfs/dbraw/zinc/96/35/95/379963595.db2.gz COTYXWMDZSNXFH-UHFFFAOYSA-N 2 2 293.461 3.457 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000352822044 379983096 /nfs/dbraw/zinc/98/30/96/379983096.db2.gz IYDUFTRDBHUSMC-UKMLZYKCSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000352822044 379983106 /nfs/dbraw/zinc/98/31/06/379983106.db2.gz IYDUFTRDBHUSMC-UKMLZYKCSA-N 2 2 250.430 3.051 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)s1 ZINC000399084238 379934108 /nfs/dbraw/zinc/93/41/08/379934108.db2.gz TWMWMMHLYRMACQ-CDMKHQONSA-N 2 2 252.427 3.156 20 0 CGADLP c1cc2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2o1 ZINC000347850160 218376011 /nfs/dbraw/zinc/37/60/11/218376011.db2.gz FLBMFBDUXGEDDI-KRWDZBQOSA-N 2 2 294.354 3.481 20 0 CGADLP c1cc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2o1 ZINC000347850160 218376013 /nfs/dbraw/zinc/37/60/13/218376013.db2.gz FLBMFBDUXGEDDI-KRWDZBQOSA-N 2 2 294.354 3.481 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376738 379995779 /nfs/dbraw/zinc/99/57/79/379995779.db2.gz INAARKVZRCDJPL-CABCVRRESA-N 2 2 291.414 3.312 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376738 379995786 /nfs/dbraw/zinc/99/57/86/379995786.db2.gz INAARKVZRCDJPL-CABCVRRESA-N 2 2 291.414 3.312 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c2c1 ZINC000352903570 380029031 /nfs/dbraw/zinc/02/90/31/380029031.db2.gz PCBSUCIRLUQKCJ-LIRRHRJNSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c2c1 ZINC000352903570 380029034 /nfs/dbraw/zinc/02/90/34/380029034.db2.gz PCBSUCIRLUQKCJ-LIRRHRJNSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000283644559 380080351 /nfs/dbraw/zinc/08/03/51/380080351.db2.gz AVZZQJQOCWNPQK-HNNXBMFYSA-N 2 2 297.402 3.389 20 0 CGADLP CC(C)COCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000283172934 380043296 /nfs/dbraw/zinc/04/32/96/380043296.db2.gz DQSSRLJOKHNSMG-HNNXBMFYSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138528 380135926 /nfs/dbraw/zinc/13/59/26/380135926.db2.gz MXPXWVYHFJTAGR-WTTBNOFXSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138528 380135930 /nfs/dbraw/zinc/13/59/30/380135930.db2.gz MXPXWVYHFJTAGR-WTTBNOFXSA-N 2 2 258.409 3.210 20 0 CGADLP c1cn(C2CC[NH+]([C@H]3C=CCCCCC3)CC2)c[nH+]1 ZINC000284027970 380118344 /nfs/dbraw/zinc/11/83/44/380118344.db2.gz OQSWZCQXOLTJQF-HNNXBMFYSA-N 2 2 259.397 3.409 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272018 380199098 /nfs/dbraw/zinc/19/90/98/380199098.db2.gz NQXJNASFGOTPEK-JMSVASOKSA-N 2 2 286.410 3.273 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272018 380199104 /nfs/dbraw/zinc/19/91/04/380199104.db2.gz NQXJNASFGOTPEK-JMSVASOKSA-N 2 2 286.410 3.273 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353188292 380159856 /nfs/dbraw/zinc/15/98/56/380159856.db2.gz CWQYPMWATCCMHB-CYBMUJFWSA-N 2 2 289.810 3.204 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643068342 380210980 /nfs/dbraw/zinc/21/09/80/380210980.db2.gz FRLHIRDIFCHIOK-AEFFLSMTSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643068342 380210986 /nfs/dbraw/zinc/21/09/86/380210986.db2.gz FRLHIRDIFCHIOK-AEFFLSMTSA-N 2 2 266.388 3.024 20 0 CGADLP CC1CCC(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000353918359 380233618 /nfs/dbraw/zinc/23/36/18/380233618.db2.gz XXXOGFZNAHDPAT-UHFFFAOYSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000353931819 380242049 /nfs/dbraw/zinc/24/20/49/380242049.db2.gz KMPGLICZRVWWCQ-ILXRZTDVSA-N 2 2 263.429 3.466 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CCC2)o1 ZINC000643501485 380322915 /nfs/dbraw/zinc/32/29/15/380322915.db2.gz IUEOQWCXWNIWFD-HOCLYGCPSA-N 2 2 262.397 3.161 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]CC[NH2+]C3CC3)ccc2c1 ZINC000643506054 380326265 /nfs/dbraw/zinc/32/62/65/380326265.db2.gz JHZBPBRCZNJBFM-ZDUSSCGKSA-N 2 2 284.403 3.251 20 0 CGADLP F[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414508898 380283721 /nfs/dbraw/zinc/28/37/21/380283721.db2.gz DMFQXSNIANINDG-ZIAGYGMSSA-N 2 2 279.384 3.304 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000643354113 380293936 /nfs/dbraw/zinc/29/39/36/380293936.db2.gz OUIJQBHSLLKETE-UHFFFAOYSA-N 2 2 295.390 3.318 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccn2)cc1 ZINC000643451891 380308349 /nfs/dbraw/zinc/30/83/49/380308349.db2.gz QRGMPLMBRWWCQS-SJLPKXTDSA-N 2 2 299.393 3.042 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)cc1 ZINC000643461766 380312201 /nfs/dbraw/zinc/31/22/01/380312201.db2.gz OLIZDEUZARPLJD-MSOLQXFVSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1cccc(NC2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414702731 380380258 /nfs/dbraw/zinc/38/02/58/380380258.db2.gz LUWWDUKLOUBCRD-INIZCTEOSA-N 2 2 289.467 3.245 20 0 CGADLP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414704669 380381959 /nfs/dbraw/zinc/38/19/59/380381959.db2.gz KSFSKSNAHHCWBH-JSGCOSHPSA-N 2 2 295.496 3.388 20 0 CGADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414704669 380381962 /nfs/dbraw/zinc/38/19/62/380381962.db2.gz KSFSKSNAHHCWBH-JSGCOSHPSA-N 2 2 295.496 3.388 20 0 CGADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(O)c1 ZINC000414741069 380391154 /nfs/dbraw/zinc/39/11/54/380391154.db2.gz GZXYOLUWKMRDJK-DZGCQCFKSA-N 2 2 264.413 3.149 20 0 CGADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1cccc(O)c1 ZINC000414741069 380391161 /nfs/dbraw/zinc/39/11/61/380391161.db2.gz GZXYOLUWKMRDJK-DZGCQCFKSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000643528264 380344877 /nfs/dbraw/zinc/34/48/77/380344877.db2.gz GFXHVSNYVVFFPK-SKDRFNHKSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000643535572 380351188 /nfs/dbraw/zinc/35/11/88/380351188.db2.gz GYIAQBWWDABXJY-MIMYLULJSA-N 2 2 291.197 3.344 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165063 380351540 /nfs/dbraw/zinc/35/15/40/380351540.db2.gz DEFVKBOONQCFEI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165063 380351544 /nfs/dbraw/zinc/35/15/44/380351544.db2.gz DEFVKBOONQCFEI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165063 380351549 /nfs/dbraw/zinc/35/15/49/380351549.db2.gz DEFVKBOONQCFEI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165063 380351553 /nfs/dbraw/zinc/35/15/53/380351553.db2.gz DEFVKBOONQCFEI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643537650 380353454 /nfs/dbraw/zinc/35/34/54/380353454.db2.gz NNSSCMZMFHBITF-GRDNDAEWSA-N 2 2 294.389 3.347 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538723 380355436 /nfs/dbraw/zinc/35/54/36/380355436.db2.gz SVHJZQQCDZITGY-HEHGZKQESA-N 2 2 276.399 3.089 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660979 380356254 /nfs/dbraw/zinc/35/62/54/380356254.db2.gz PIOUBEUVRRFQQX-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660979 380356262 /nfs/dbraw/zinc/35/62/62/380356262.db2.gz PIOUBEUVRRFQQX-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414659748 380356610 /nfs/dbraw/zinc/35/66/10/380356610.db2.gz LSYMYWWXCDICQT-HNNXBMFYSA-N 2 2 270.376 3.130 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414659748 380356617 /nfs/dbraw/zinc/35/66/17/380356617.db2.gz LSYMYWWXCDICQT-HNNXBMFYSA-N 2 2 270.376 3.130 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCC(=O)OC(C)(C)C)c[nH+]1 ZINC000354419757 380431268 /nfs/dbraw/zinc/43/12/68/380431268.db2.gz QNWVOYCYDBRGHA-UHFFFAOYSA-N 2 2 292.423 3.034 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414856804 380457459 /nfs/dbraw/zinc/45/74/59/380457459.db2.gz ZQBWIBAAYLJDLE-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414824933 380434570 /nfs/dbraw/zinc/43/45/70/380434570.db2.gz BMFUGWXLIAJVCK-RLFYNMQTSA-N 2 2 268.404 3.468 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000414825967 380435837 /nfs/dbraw/zinc/43/58/37/380435837.db2.gz DKSVWNXFTOBVBE-KLIQENQMSA-N 2 2 280.415 3.468 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000414827988 380438595 /nfs/dbraw/zinc/43/85/95/380438595.db2.gz ICHAEBAFFMOHCG-MGPQQGTHSA-N 2 2 286.341 3.397 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000414831601 380440144 /nfs/dbraw/zinc/44/01/44/380440144.db2.gz NHBSUDWJOCWVNT-HNNXBMFYSA-N 2 2 292.329 3.078 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2nc3ccc(F)cc3s2)CCCCC1 ZINC000414846024 380449723 /nfs/dbraw/zinc/44/97/23/380449723.db2.gz RXDNIHHFGLMZMD-UHFFFAOYSA-N 2 2 293.411 3.187 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C1CC([NH3+])C1 ZINC000414776160 380398881 /nfs/dbraw/zinc/39/88/81/380398881.db2.gz MUMXXLVNMAWRHI-UHFFFAOYSA-N 2 2 292.732 3.280 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C1CC([NH3+])C1 ZINC000414776160 380398884 /nfs/dbraw/zinc/39/88/84/380398884.db2.gz MUMXXLVNMAWRHI-UHFFFAOYSA-N 2 2 292.732 3.280 20 0 CGADLP Cc1ccc(CCC[NH2+]C(C)(C)c2nccs2)c[nH+]1 ZINC000354350183 380410077 /nfs/dbraw/zinc/41/00/77/380410077.db2.gz YWTUZAAXKFTJJW-UHFFFAOYSA-N 2 2 275.421 3.304 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414804406 380416185 /nfs/dbraw/zinc/41/61/85/380416185.db2.gz XRGBAHWSURENSK-OAHLLOKOSA-N 2 2 258.365 3.020 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414909000 380485890 /nfs/dbraw/zinc/48/58/90/380485890.db2.gz BRHZVNBDFVBWDA-KDOFPFPSSA-N 2 2 288.435 3.096 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCC[C@H]21 ZINC000354579313 380493103 /nfs/dbraw/zinc/49/31/03/380493103.db2.gz MQOKHROQQCOPAY-HUUCEWRRSA-N 2 2 269.392 3.345 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCC[C@H]21 ZINC000354579313 380493106 /nfs/dbraw/zinc/49/31/06/380493106.db2.gz MQOKHROQQCOPAY-HUUCEWRRSA-N 2 2 269.392 3.345 20 0 CGADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H](C)C[NH3+] ZINC000414932948 380496255 /nfs/dbraw/zinc/49/62/55/380496255.db2.gz AGIDUOLHFJZNRR-LBPRGKRZSA-N 2 2 260.381 3.212 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCCSC1)c1ccc2ccccc2c1 ZINC000414945250 380499853 /nfs/dbraw/zinc/49/98/53/380499853.db2.gz RIHOLLDWMAGQOK-IRXDYDNUSA-N 2 2 286.444 3.325 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCCS2)c[nH+]1 ZINC000354609117 380502090 /nfs/dbraw/zinc/50/20/90/380502090.db2.gz XYRKIJNLAZJOKO-OAHLLOKOSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414957429 380502671 /nfs/dbraw/zinc/50/26/71/380502671.db2.gz QYXBWZVXJPCFKL-RNCFNFMXSA-N 2 2 290.304 3.075 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000354648975 380514397 /nfs/dbraw/zinc/51/43/97/380514397.db2.gz NQFUZWIBKDFKHM-JKSUJKDBSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C3)s2)cc1 ZINC000414865947 380464850 /nfs/dbraw/zinc/46/48/50/380464850.db2.gz DOSFENHAGAHXPM-AWEZNQCLSA-N 2 2 272.417 3.175 20 0 CGADLP Clc1ccsc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414883977 380474693 /nfs/dbraw/zinc/47/46/93/380474693.db2.gz UBTONQMACITMFA-UHFFFAOYSA-N 2 2 295.839 3.066 20 0 CGADLP Cc1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000414889693 380476157 /nfs/dbraw/zinc/47/61/57/380476157.db2.gz UBTAJMKAVGZIFP-GOSISDBHSA-N 2 2 296.414 3.026 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000354547612 380482295 /nfs/dbraw/zinc/48/22/95/380482295.db2.gz TWMKOHGPKNNRIC-IAGOWNOFSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000354686847 380527488 /nfs/dbraw/zinc/52/74/88/380527488.db2.gz QXMYUTZDTDQZBC-CVEARBPZSA-N 2 2 293.455 3.361 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000354686847 380527499 /nfs/dbraw/zinc/52/74/99/380527499.db2.gz QXMYUTZDTDQZBC-CVEARBPZSA-N 2 2 293.455 3.361 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCO[C@H](C(C)(C)C)C2)c[nH+]1 ZINC000355140703 380596973 /nfs/dbraw/zinc/59/69/73/380596973.db2.gz YSWZOHMWXXENFL-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCO[C@H](C(C)(C)C)C2)c[nH+]1 ZINC000355140703 380596975 /nfs/dbraw/zinc/59/69/75/380596975.db2.gz YSWZOHMWXXENFL-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355158007 380602885 /nfs/dbraw/zinc/60/28/85/380602885.db2.gz SBADMXHVFJIKHB-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000355158007 380602890 /nfs/dbraw/zinc/60/28/90/380602890.db2.gz SBADMXHVFJIKHB-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417351420 380604163 /nfs/dbraw/zinc/60/41/63/380604163.db2.gz CNEMPCLFEINRNQ-INIZCTEOSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417371877 380612678 /nfs/dbraw/zinc/61/26/78/380612678.db2.gz WHXPAWPBVHJNMR-HYVNUMGLSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417371877 380612680 /nfs/dbraw/zinc/61/26/80/380612680.db2.gz WHXPAWPBVHJNMR-HYVNUMGLSA-N 2 2 270.420 3.212 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811609 380739566 /nfs/dbraw/zinc/73/95/66/380739566.db2.gz UYKZHIGCKUPMBC-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2F)C1 ZINC000645811609 380739571 /nfs/dbraw/zinc/73/95/71/380739571.db2.gz UYKZHIGCKUPMBC-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811609 380739575 /nfs/dbraw/zinc/73/95/75/380739575.db2.gz UYKZHIGCKUPMBC-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811609 380739577 /nfs/dbraw/zinc/73/95/77/380739577.db2.gz UYKZHIGCKUPMBC-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP C[N@H+](CC1=CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000645812650 380740354 /nfs/dbraw/zinc/74/03/54/380740354.db2.gz ZUFJCHVJNRHBCC-UHFFFAOYSA-N 2 2 299.462 3.131 20 0 CGADLP C[N@@H+](CC1=CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000645812650 380740361 /nfs/dbraw/zinc/74/03/61/380740361.db2.gz ZUFJCHVJNRHBCC-UHFFFAOYSA-N 2 2 299.462 3.131 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000279186574 194323479 /nfs/dbraw/zinc/32/34/79/194323479.db2.gz CEZVUIWFUDYCAU-AWEZNQCLSA-N 2 2 282.378 3.398 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000279186574 194323482 /nfs/dbraw/zinc/32/34/82/194323482.db2.gz CEZVUIWFUDYCAU-AWEZNQCLSA-N 2 2 282.378 3.398 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186574 194323484 /nfs/dbraw/zinc/32/34/84/194323484.db2.gz CEZVUIWFUDYCAU-AWEZNQCLSA-N 2 2 282.378 3.398 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186574 194323486 /nfs/dbraw/zinc/32/34/86/194323486.db2.gz CEZVUIWFUDYCAU-AWEZNQCLSA-N 2 2 282.378 3.398 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000420381514 380851911 /nfs/dbraw/zinc/85/19/11/380851911.db2.gz XMENOUZMRWIFMM-GFCCVEGCSA-N 2 2 278.293 3.018 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000356897753 380927692 /nfs/dbraw/zinc/92/76/92/380927692.db2.gz MLRRNBPINJPLDL-CQSZACIVSA-N 2 2 287.451 3.312 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+](CC)CC ZINC000356844330 380898853 /nfs/dbraw/zinc/89/88/53/380898853.db2.gz MJMUUYRTIOPKAG-AWEZNQCLSA-N 2 2 263.429 3.027 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356871641 380911317 /nfs/dbraw/zinc/91/13/17/380911317.db2.gz OTKYPBKSYFIHTQ-NSHDSACASA-N 2 2 278.362 3.181 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](C3CCCC3)C2)[nH+]1 ZINC000421398274 380948629 /nfs/dbraw/zinc/94/86/29/380948629.db2.gz YJHYTYNKGRMIJV-OAHLLOKOSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](C3CCCC3)C2)[nH+]1 ZINC000421398274 380948635 /nfs/dbraw/zinc/94/86/35/380948635.db2.gz YJHYTYNKGRMIJV-OAHLLOKOSA-N 2 2 269.392 3.346 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccsc1 ZINC000360969790 381637433 /nfs/dbraw/zinc/63/74/33/381637433.db2.gz KBOCMNWDDSRGFS-CVEARBPZSA-N 2 2 278.465 3.239 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccsc1 ZINC000360969790 381637437 /nfs/dbraw/zinc/63/74/37/381637437.db2.gz KBOCMNWDDSRGFS-CVEARBPZSA-N 2 2 278.465 3.239 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccsc1 ZINC000360969790 381637444 /nfs/dbraw/zinc/63/74/44/381637444.db2.gz KBOCMNWDDSRGFS-CVEARBPZSA-N 2 2 278.465 3.239 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccsc1 ZINC000360969790 381637449 /nfs/dbraw/zinc/63/74/49/381637449.db2.gz KBOCMNWDDSRGFS-CVEARBPZSA-N 2 2 278.465 3.239 20 0 CGADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000334880904 207237263 /nfs/dbraw/zinc/23/72/63/207237263.db2.gz HYHDMCAZBPYNNG-FUNVUKJBSA-N 2 2 285.218 3.366 20 0 CGADLP Clc1sccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000361552972 381798386 /nfs/dbraw/zinc/79/83/86/381798386.db2.gz NTRBVUJCLXRWIV-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1sccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000361552972 381798391 /nfs/dbraw/zinc/79/83/91/381798391.db2.gz NTRBVUJCLXRWIV-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+](C)C1(CNc2cc[nH+]c3ccncc23)CCCCCC1 ZINC000362843882 382130580 /nfs/dbraw/zinc/13/05/80/382130580.db2.gz RMWSKLHOTHZVOO-UHFFFAOYSA-N 2 2 298.434 3.118 20 0 CGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000236750519 542316400 /nfs/dbraw/zinc/31/64/00/542316400.db2.gz KMTUHALEWGRLBZ-MRXNPFEDSA-N 2 2 299.374 3.186 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000366888305 382323018 /nfs/dbraw/zinc/32/30/18/382323018.db2.gz USCNDQLXOMYMSL-WBVHZDCISA-N 2 2 269.392 3.151 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000366888305 382323022 /nfs/dbraw/zinc/32/30/22/382323022.db2.gz USCNDQLXOMYMSL-WBVHZDCISA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(F)c1 ZINC000366944759 382324695 /nfs/dbraw/zinc/32/46/95/382324695.db2.gz OEYLQRRXLGNRBU-LBPRGKRZSA-N 2 2 273.355 3.209 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251724209 542347844 /nfs/dbraw/zinc/34/78/44/542347844.db2.gz KDALEUTUDSPAJE-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251724209 542347845 /nfs/dbraw/zinc/34/78/45/542347845.db2.gz KDALEUTUDSPAJE-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250631257 542343474 /nfs/dbraw/zinc/34/34/74/542343474.db2.gz RDUMOZJBTUTBFY-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000250631257 542343478 /nfs/dbraw/zinc/34/34/78/542343478.db2.gz RDUMOZJBTUTBFY-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP CSc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358136545 532956013 /nfs/dbraw/zinc/95/60/13/532956013.db2.gz LCKLXPRPEBWHAF-UHFFFAOYSA-N 2 2 276.449 3.150 20 0 CGADLP CSc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358136545 532956018 /nfs/dbraw/zinc/95/60/18/532956018.db2.gz LCKLXPRPEBWHAF-UHFFFAOYSA-N 2 2 276.449 3.150 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000358038350 533038963 /nfs/dbraw/zinc/03/89/63/533038963.db2.gz FXRXZTXBQMJVJX-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000289399489 197328194 /nfs/dbraw/zinc/32/81/94/197328194.db2.gz NTOAXMRUZOLHIR-HNNXBMFYSA-N 2 2 272.392 3.342 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297659171 542409943 /nfs/dbraw/zinc/40/99/43/542409943.db2.gz NUJPZHRFJQJZKQ-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297659171 542409944 /nfs/dbraw/zinc/40/99/44/542409944.db2.gz NUJPZHRFJQJZKQ-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000309892723 542427113 /nfs/dbraw/zinc/42/71/13/542427113.db2.gz MZVQVGSUHSDOLZ-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000309892723 542427116 /nfs/dbraw/zinc/42/71/16/542427116.db2.gz MZVQVGSUHSDOLZ-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000322565937 542440850 /nfs/dbraw/zinc/44/08/50/542440850.db2.gz DTNRWIUHOKDWTJ-DUCPWMDDSA-N 2 2 274.408 3.118 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000322565937 542440852 /nfs/dbraw/zinc/44/08/52/542440852.db2.gz DTNRWIUHOKDWTJ-DUCPWMDDSA-N 2 2 274.408 3.118 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000328521862 542443843 /nfs/dbraw/zinc/44/38/43/542443843.db2.gz RVDGLBYYXKRVCJ-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000328521862 542443845 /nfs/dbraw/zinc/44/38/45/542443845.db2.gz RVDGLBYYXKRVCJ-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328255776 542444470 /nfs/dbraw/zinc/44/44/70/542444470.db2.gz LQUGPGHZAHRWOX-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328255776 542444472 /nfs/dbraw/zinc/44/44/72/542444472.db2.gz LQUGPGHZAHRWOX-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000423280099 533197214 /nfs/dbraw/zinc/19/72/14/533197214.db2.gz SXCFFVHPAOJZMX-RBUKOAKNSA-N 2 2 298.430 3.358 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccccc2)no1 ZINC000281397306 195225422 /nfs/dbraw/zinc/22/54/22/195225422.db2.gz QGLQHWJCTLSNHZ-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(-c2ccccc2)no1 ZINC000281397306 195225424 /nfs/dbraw/zinc/22/54/24/195225424.db2.gz QGLQHWJCTLSNHZ-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CC[C@@H]3C3CC3)[nH]c2c1 ZINC000348083021 542513468 /nfs/dbraw/zinc/51/34/68/542513468.db2.gz JXJKRKAQUUFKRK-KGLIPLIRSA-N 2 2 269.392 3.274 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348089258 542513604 /nfs/dbraw/zinc/51/36/04/542513604.db2.gz SNNDTLVAOKANBL-KSZLIROESA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000348089258 542513609 /nfs/dbraw/zinc/51/36/09/542513609.db2.gz SNNDTLVAOKANBL-KSZLIROESA-N 2 2 270.420 3.039 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]Cc3c[nH+]cn3C)o2)cc1 ZINC000352472368 542553316 /nfs/dbraw/zinc/55/33/16/542553316.db2.gz CKEHUZLQELNLQK-UHFFFAOYSA-N 2 2 281.359 3.278 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)CCC2 ZINC000353523617 542558222 /nfs/dbraw/zinc/55/82/22/542558222.db2.gz XYOYRJDVRBLHIR-SOUVJXGZSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414060645 533378930 /nfs/dbraw/zinc/37/89/30/533378930.db2.gz YASAQCMUHPPSIM-CYBMUJFWSA-N 2 2 289.448 3.412 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC1 ZINC000177846907 533407548 /nfs/dbraw/zinc/40/75/48/533407548.db2.gz DXRDZMIQIPYZNL-OAHLLOKOSA-N 2 2 283.419 3.252 20 0 CGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414806523 533423753 /nfs/dbraw/zinc/42/37/53/533423753.db2.gz ZMVIQYUIKCEDBE-GFCCVEGCSA-N 2 2 291.222 3.075 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414291134 533437634 /nfs/dbraw/zinc/43/76/34/533437634.db2.gz XLTZKCNGUOUISK-PNBKFKSVSA-N 2 2 299.418 3.336 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000427856049 533528592 /nfs/dbraw/zinc/52/85/92/533528592.db2.gz UXKMHQUBUKIRPP-RDTXWAMCSA-N 2 2 295.430 3.428 20 0 CGADLP c1c(CC[NH2+]C(C2CCC2)C2CCC2)[nH+]c2n1CCCC2 ZINC000376647968 285416701 /nfs/dbraw/zinc/41/67/01/285416701.db2.gz CFWVUHAHFFHEKR-UHFFFAOYSA-N 2 2 287.451 3.320 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423556801 533517845 /nfs/dbraw/zinc/51/78/45/533517845.db2.gz MRDPDPFPPWMMJW-BXUZGUMPSA-N 2 2 297.240 3.242 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccsc2)C1 ZINC000389130377 542607218 /nfs/dbraw/zinc/60/72/18/542607218.db2.gz DZRMUOYUHHDENB-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccsc2)C1 ZINC000389130377 542607219 /nfs/dbraw/zinc/60/72/19/542607219.db2.gz DZRMUOYUHHDENB-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000389245914 542607627 /nfs/dbraw/zinc/60/76/27/542607627.db2.gz AOZMUQZRRUXQTQ-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000389245914 542607632 /nfs/dbraw/zinc/60/76/32/542607632.db2.gz AOZMUQZRRUXQTQ-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389856400 542610121 /nfs/dbraw/zinc/61/01/21/542610121.db2.gz BIQIFDNSJHHXFZ-BEFAXECRSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389856400 542610126 /nfs/dbraw/zinc/61/01/26/542610126.db2.gz BIQIFDNSJHHXFZ-BEFAXECRSA-N 2 2 295.430 3.000 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC000414789443 542638864 /nfs/dbraw/zinc/63/88/64/542638864.db2.gz NYEFILMIVMCKFE-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC000414789443 542638871 /nfs/dbraw/zinc/63/88/71/542638871.db2.gz NYEFILMIVMCKFE-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326192 391986862 /nfs/dbraw/zinc/98/68/62/391986862.db2.gz NZIAHGQEHIZXKB-LSDHHAIUSA-N 2 2 266.816 3.379 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000049083308 392033547 /nfs/dbraw/zinc/03/35/47/392033547.db2.gz CVUMRBCJPJSCIW-JCYILVPMSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000049083308 392033554 /nfs/dbraw/zinc/03/35/54/392033554.db2.gz CVUMRBCJPJSCIW-JCYILVPMSA-N 2 2 258.409 3.007 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000071141870 392188718 /nfs/dbraw/zinc/18/87/18/392188718.db2.gz FEECIFWYOXQUCW-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000071141870 392188723 /nfs/dbraw/zinc/18/87/23/392188723.db2.gz FEECIFWYOXQUCW-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]Cc3c[nH+]cn3C)c(C)c2c1 ZINC000106472597 392302821 /nfs/dbraw/zinc/30/28/21/392302821.db2.gz NQKIBDFCJNYNMH-LBPRGKRZSA-N 2 2 299.374 3.334 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000361828132 392335354 /nfs/dbraw/zinc/33/53/54/392335354.db2.gz DYQLJRDHWUCJEB-OAHLLOKOSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000361828132 392335358 /nfs/dbraw/zinc/33/53/58/392335358.db2.gz DYQLJRDHWUCJEB-OAHLLOKOSA-N 2 2 299.418 3.180 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)[nH+]c1 ZINC000335658814 285481824 /nfs/dbraw/zinc/48/18/24/285481824.db2.gz YQKBHHALQJSYPS-MRXNPFEDSA-N 2 2 285.435 3.363 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119588308 392396550 /nfs/dbraw/zinc/39/65/50/392396550.db2.gz CMSOPKLHZPIMCP-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CSCC[C@@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290011143 392439333 /nfs/dbraw/zinc/43/93/33/392439333.db2.gz LZEXIXJCIRIMGS-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP CSCC[C@@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290011143 392439338 /nfs/dbraw/zinc/43/93/38/392439338.db2.gz LZEXIXJCIRIMGS-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000153323945 392513019 /nfs/dbraw/zinc/51/30/19/392513019.db2.gz QCTSNCRXTXNGSJ-LBPRGKRZSA-N 2 2 293.374 3.452 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000297578324 392568671 /nfs/dbraw/zinc/56/86/71/392568671.db2.gz GYYWIEFMHLLJCS-LNSITVRQSA-N 2 2 264.438 3.414 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000297578324 392568675 /nfs/dbraw/zinc/56/86/75/392568675.db2.gz GYYWIEFMHLLJCS-LNSITVRQSA-N 2 2 264.438 3.414 20 0 CGADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)CCc1ccccc1 ZINC000297773666 392571501 /nfs/dbraw/zinc/57/15/01/392571501.db2.gz MIHPUVFYMMUESU-UHFFFAOYSA-N 2 2 285.435 3.163 20 0 CGADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)CCc1ccccc1 ZINC000297773666 392571502 /nfs/dbraw/zinc/57/15/02/392571502.db2.gz MIHPUVFYMMUESU-UHFFFAOYSA-N 2 2 285.435 3.163 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](CCC(C)C)C1CC1)C1CC1 ZINC000302493287 392616234 /nfs/dbraw/zinc/61/62/34/392616234.db2.gz JLRPPNIMPUBJLK-MRXNPFEDSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](CCC(C)C)C1CC1)C1CC1 ZINC000302493287 392616238 /nfs/dbraw/zinc/61/62/38/392616238.db2.gz JLRPPNIMPUBJLK-MRXNPFEDSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000372643495 392624271 /nfs/dbraw/zinc/62/42/71/392624271.db2.gz YHQRRBCDILZGCT-HNNXBMFYSA-N 2 2 263.429 3.111 20 0 CGADLP CC(C)CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000372643495 392624275 /nfs/dbraw/zinc/62/42/75/392624275.db2.gz YHQRRBCDILZGCT-HNNXBMFYSA-N 2 2 263.429 3.111 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554086 392767212 /nfs/dbraw/zinc/76/72/12/392767212.db2.gz QOTAVVHGEZVACE-CWDCEQMOSA-N 2 2 274.383 3.103 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851799 392750283 /nfs/dbraw/zinc/75/02/83/392750283.db2.gz XNTYZHICEHIYHH-OFQRWUPVSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851799 392750285 /nfs/dbraw/zinc/75/02/85/392750285.db2.gz XNTYZHICEHIYHH-OFQRWUPVSA-N 2 2 275.440 3.202 20 0 CGADLP Fc1cccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)c1F ZINC000375224001 392750884 /nfs/dbraw/zinc/75/08/84/392750884.db2.gz IPKWESFDMGBUAR-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000334853642 392753917 /nfs/dbraw/zinc/75/39/17/392753917.db2.gz UIBFUSJMQOPTHG-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000334853642 392753926 /nfs/dbraw/zinc/75/39/26/392753926.db2.gz UIBFUSJMQOPTHG-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647532941 392754632 /nfs/dbraw/zinc/75/46/32/392754632.db2.gz HYNIUJOHUGOMPW-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647532941 392754639 /nfs/dbraw/zinc/75/46/39/392754639.db2.gz HYNIUJOHUGOMPW-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000647534143 392756064 /nfs/dbraw/zinc/75/60/64/392756064.db2.gz HMWGNIMNGKOXEJ-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000647534143 392756070 /nfs/dbraw/zinc/75/60/70/392756070.db2.gz HMWGNIMNGKOXEJ-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP CCC[C@H](CC)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364144 392707839 /nfs/dbraw/zinc/70/78/39/392707839.db2.gz SVVROITVAYJAAX-AWEZNQCLSA-N 2 2 259.397 3.354 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)C1CCC1 ZINC000647363718 392707921 /nfs/dbraw/zinc/70/79/21/392707921.db2.gz IJOOHZJXVJYERS-INIZCTEOSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000647364574 392708371 /nfs/dbraw/zinc/70/83/71/392708371.db2.gz FAOLZPMRYFYEAS-CQSZACIVSA-N 2 2 283.375 3.437 20 0 CGADLP CCCC[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365073 392708585 /nfs/dbraw/zinc/70/85/85/392708585.db2.gz YMHPXZYDVZMTCD-CYBMUJFWSA-N 2 2 259.397 3.354 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000375507195 392787700 /nfs/dbraw/zinc/78/77/00/392787700.db2.gz GITIMNQVAUUNPJ-KRWDZBQOSA-N 2 2 298.434 3.066 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000375507195 392787705 /nfs/dbraw/zinc/78/77/05/392787705.db2.gz GITIMNQVAUUNPJ-KRWDZBQOSA-N 2 2 298.434 3.066 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510654260 392806091 /nfs/dbraw/zinc/80/60/91/392806091.db2.gz WOEKGIWTFWSJIK-ZDUSSCGKSA-N 2 2 284.394 3.217 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)CCC2 ZINC000377830612 392890043 /nfs/dbraw/zinc/89/00/43/392890043.db2.gz GBRSFEBMJCWTPZ-CYBMUJFWSA-N 2 2 291.345 3.137 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(C)(CC(F)F)C2)c[nH+]1 ZINC000648058773 392891557 /nfs/dbraw/zinc/89/15/57/392891557.db2.gz BUKMEATXDVITLM-UHFFFAOYSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3c1cccc3F)CCC2 ZINC000338240281 392901580 /nfs/dbraw/zinc/90/15/80/392901580.db2.gz UFGSDOZFGBCCKM-SUMWQHHRSA-N 2 2 299.393 3.485 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381508891 392908796 /nfs/dbraw/zinc/90/87/96/392908796.db2.gz KMJDLUNXODIBSL-LKRQVQDUSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381508891 392908802 /nfs/dbraw/zinc/90/88/02/392908802.db2.gz KMJDLUNXODIBSL-LKRQVQDUSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647970802 392853522 /nfs/dbraw/zinc/85/35/22/392853522.db2.gz GZMFQMKTVNRMTC-MPGHIAIKSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)n1C ZINC000567627820 542760533 /nfs/dbraw/zinc/76/05/33/542760533.db2.gz AVZHQRDEKSUENW-UHFFFAOYSA-N 2 2 285.435 3.358 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000340162661 392965971 /nfs/dbraw/zinc/96/59/71/392965971.db2.gz DHAIVIKOSRQQRA-NVXWUHKLSA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000340162661 392965978 /nfs/dbraw/zinc/96/59/78/392965978.db2.gz DHAIVIKOSRQQRA-NVXWUHKLSA-N 2 2 270.376 3.205 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccon1 ZINC000340355422 392970235 /nfs/dbraw/zinc/97/02/35/392970235.db2.gz RHWIPWDDLRJXII-JLJPHGGASA-N 2 2 285.391 3.161 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccon1 ZINC000340355422 392970240 /nfs/dbraw/zinc/97/02/40/392970240.db2.gz RHWIPWDDLRJXII-JLJPHGGASA-N 2 2 285.391 3.161 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCCC2)C[N@@H+]1C1CC1 ZINC000231632420 393025307 /nfs/dbraw/zinc/02/53/07/393025307.db2.gz IPKRNBPIQKLYFD-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCCC2)C[N@H+]1C1CC1 ZINC000231632420 393025309 /nfs/dbraw/zinc/02/53/09/393025309.db2.gz IPKRNBPIQKLYFD-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000415043532 393108408 /nfs/dbraw/zinc/10/84/08/393108408.db2.gz RPWYMJOYXQGMRT-LBPRGKRZSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936048 393084569 /nfs/dbraw/zinc/08/45/69/393084569.db2.gz OHYYMLWBBJZQHD-QWQRMKEZSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936048 393084572 /nfs/dbraw/zinc/08/45/72/393084572.db2.gz OHYYMLWBBJZQHD-QWQRMKEZSA-N 2 2 272.436 3.166 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415007287 393092012 /nfs/dbraw/zinc/09/20/12/393092012.db2.gz CMGMVSPDUSQNCK-GJZGRUSLSA-N 2 2 298.430 3.496 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415014943 393097307 /nfs/dbraw/zinc/09/73/07/393097307.db2.gz MMXMMFBAIWMKJN-HTQZYQBOSA-N 2 2 280.721 3.184 20 0 CGADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000346970724 393097910 /nfs/dbraw/zinc/09/79/10/393097910.db2.gz FZDDFIYFIVUGQW-GFCCVEGCSA-N 2 2 266.351 3.039 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000415034335 393104524 /nfs/dbraw/zinc/10/45/24/393104524.db2.gz HQSALFAXPJRNEY-AWEZNQCLSA-N 2 2 289.810 3.118 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546573643 393056820 /nfs/dbraw/zinc/05/68/20/393056820.db2.gz GNSUNWHNZGCPFK-IRXDYDNUSA-N 2 2 272.436 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546573643 393056828 /nfs/dbraw/zinc/05/68/28/393056828.db2.gz GNSUNWHNZGCPFK-IRXDYDNUSA-N 2 2 272.436 3.420 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414961362 393067409 /nfs/dbraw/zinc/06/74/09/393067409.db2.gz VRRSIAMQLVGYJF-BXUZGUMPSA-N 2 2 286.341 3.244 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCc3ccccc3C1)CCCC2 ZINC000648577589 393111236 /nfs/dbraw/zinc/11/12/36/393111236.db2.gz OTAPJPGPQMUXNE-KRWDZBQOSA-N 2 2 295.430 3.257 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000415052026 393115716 /nfs/dbraw/zinc/11/57/16/393115716.db2.gz GRBSFOKMNQDEQR-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP Clc1csc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415055115 393116579 /nfs/dbraw/zinc/11/65/79/393116579.db2.gz QZZYHGKTOFTMPE-LSDHHAIUSA-N 2 2 292.835 3.247 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057900 393119580 /nfs/dbraw/zinc/11/95/80/393119580.db2.gz VETXXHIFDUWDTE-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057900 393119589 /nfs/dbraw/zinc/11/95/89/393119589.db2.gz VETXXHIFDUWDTE-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP c1ccc(-c2ccccc2OCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415075141 393131396 /nfs/dbraw/zinc/13/13/96/393131396.db2.gz BAVUXIXRYLOAMW-KRWDZBQOSA-N 2 2 296.414 3.074 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1c(F)cccc1Cl ZINC000415083707 393136440 /nfs/dbraw/zinc/13/64/40/393136440.db2.gz NMHQBLVUIBKCSX-MNOVXSKESA-N 2 2 270.779 3.099 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415090591 393140997 /nfs/dbraw/zinc/14/09/97/393140997.db2.gz YCQZGKXPECACTJ-KNXALSJPSA-N 2 2 296.817 3.489 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1OC1CCC1 ZINC000415092032 393143484 /nfs/dbraw/zinc/14/34/84/393143484.db2.gz RXIFSPWWQANZOZ-HNNXBMFYSA-N 2 2 276.424 3.081 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415115125 393149273 /nfs/dbraw/zinc/14/92/73/393149273.db2.gz UIMJCAUKMLRFQV-ZIAGYGMSSA-N 2 2 264.413 3.028 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)s1 ZINC000415125808 393154129 /nfs/dbraw/zinc/15/41/29/393154129.db2.gz PXBKUJPIOIUYCR-GOEBONIOSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)s1 ZINC000415125808 393154135 /nfs/dbraw/zinc/15/41/35/393154135.db2.gz PXBKUJPIOIUYCR-GOEBONIOSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000415282491 393163773 /nfs/dbraw/zinc/16/37/73/393163773.db2.gz MKUAKPMDDFHEQL-LBPRGKRZSA-N 2 2 298.390 3.040 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000269046888 393221437 /nfs/dbraw/zinc/22/14/37/393221437.db2.gz YRNDBGRGJAOWCG-BYCMXARLSA-N 2 2 276.449 3.198 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000269046888 393221441 /nfs/dbraw/zinc/22/14/41/393221441.db2.gz YRNDBGRGJAOWCG-BYCMXARLSA-N 2 2 276.449 3.198 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353614520 393228073 /nfs/dbraw/zinc/22/80/73/393228073.db2.gz XWTCFCWAVVSSMQ-DRPJVOAASA-N 2 2 281.403 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353614520 393228076 /nfs/dbraw/zinc/22/80/76/393228076.db2.gz XWTCFCWAVVSSMQ-DRPJVOAASA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000276256467 393297638 /nfs/dbraw/zinc/29/76/38/393297638.db2.gz AKNUIWITQDRESI-DDBAPUKQSA-N 2 2 281.403 3.322 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000276256467 393297644 /nfs/dbraw/zinc/29/76/44/393297644.db2.gz AKNUIWITQDRESI-DDBAPUKQSA-N 2 2 281.403 3.322 20 0 CGADLP Cc1ccc(CCC[NH2+]C2CCC(OC(F)F)CC2)c[nH+]1 ZINC000648818388 393262800 /nfs/dbraw/zinc/26/28/00/393262800.db2.gz QTMYZIBGMCJBFD-UHFFFAOYSA-N 2 2 298.377 3.463 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000472076941 393331639 /nfs/dbraw/zinc/33/16/39/393331639.db2.gz UFRSDJXHPWCEDJ-CZUORRHYSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000472076941 393331641 /nfs/dbraw/zinc/33/16/41/393331641.db2.gz UFRSDJXHPWCEDJ-CZUORRHYSA-N 2 2 297.446 3.500 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C1CC1 ZINC000356287297 393408313 /nfs/dbraw/zinc/40/83/13/393408313.db2.gz TUARSQXTPYSSMR-KRWDZBQOSA-N 2 2 281.403 3.493 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C1CC1 ZINC000356287297 393408316 /nfs/dbraw/zinc/40/83/16/393408316.db2.gz TUARSQXTPYSSMR-KRWDZBQOSA-N 2 2 281.403 3.493 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000475510440 393405114 /nfs/dbraw/zinc/40/51/14/393405114.db2.gz ILCYVJILSBUGCD-OAUYIBNBSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000475510440 393405119 /nfs/dbraw/zinc/40/51/19/393405119.db2.gz ILCYVJILSBUGCD-OAUYIBNBSA-N 2 2 276.399 3.133 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000649416098 393415586 /nfs/dbraw/zinc/41/55/86/393415586.db2.gz OBBLKHGJAMXEBE-UHFFFAOYSA-N 2 2 291.420 3.025 20 0 CGADLP CC(C)c1nc(N2CCCC[C@@H]2C[NH3+])cc(C(C)(C)C)[nH+]1 ZINC000420180081 393433362 /nfs/dbraw/zinc/43/33/62/393433362.db2.gz WNEHXHZLRYZNQY-CYBMUJFWSA-N 2 2 290.455 3.215 20 0 CGADLP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000420207609 393437504 /nfs/dbraw/zinc/43/75/04/393437504.db2.gz QIHXAFHSXFLVIV-SNVBAGLBSA-N 2 2 263.772 3.156 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000420397972 393481612 /nfs/dbraw/zinc/48/16/12/393481612.db2.gz GQTDZHJSNLDQBG-SECBINFHSA-N 2 2 261.196 3.254 20 0 CGADLP c1ccc([N@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420300780 393456229 /nfs/dbraw/zinc/45/62/29/393456229.db2.gz KMIQCBIIZLPNDI-HNNXBMFYSA-N 2 2 258.409 3.435 20 0 CGADLP c1ccc([N@@H+](CC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420300780 393456233 /nfs/dbraw/zinc/45/62/33/393456233.db2.gz KMIQCBIIZLPNDI-HNNXBMFYSA-N 2 2 258.409 3.435 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000427700232 393457507 /nfs/dbraw/zinc/45/75/07/393457507.db2.gz ZAJYMCXKIKYIGW-AYBZRNKSSA-N 2 2 286.463 3.469 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000427700232 393457511 /nfs/dbraw/zinc/45/75/11/393457511.db2.gz ZAJYMCXKIKYIGW-AYBZRNKSSA-N 2 2 286.463 3.469 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315292 393461766 /nfs/dbraw/zinc/46/17/66/393461766.db2.gz LNMWTWVLGHKOHJ-GHMZBOCLSA-N 2 2 252.789 3.213 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315292 393461768 /nfs/dbraw/zinc/46/17/68/393461768.db2.gz LNMWTWVLGHKOHJ-GHMZBOCLSA-N 2 2 252.789 3.213 20 0 CGADLP FC1(F)CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000429473385 393470259 /nfs/dbraw/zinc/47/02/59/393470259.db2.gz XJDJHZNBDXXZBR-AWEZNQCLSA-N 2 2 280.362 3.038 20 0 CGADLP FC1(F)CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000429473385 393470267 /nfs/dbraw/zinc/47/02/67/393470267.db2.gz XJDJHZNBDXXZBR-AWEZNQCLSA-N 2 2 280.362 3.038 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000356289465 393409507 /nfs/dbraw/zinc/40/95/07/393409507.db2.gz ARWIVULRFRIZEQ-DGCLKSJQSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000356289465 393409511 /nfs/dbraw/zinc/40/95/11/393409511.db2.gz ARWIVULRFRIZEQ-DGCLKSJQSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000356289465 393409521 /nfs/dbraw/zinc/40/95/21/393409521.db2.gz ARWIVULRFRIZEQ-DGCLKSJQSA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000356289465 393409525 /nfs/dbraw/zinc/40/95/25/393409525.db2.gz ARWIVULRFRIZEQ-DGCLKSJQSA-N 2 2 284.494 3.242 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672516 393410971 /nfs/dbraw/zinc/41/09/71/393410971.db2.gz UDDYYWKOBOLFCV-CUBALJKWSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672516 393410976 /nfs/dbraw/zinc/41/09/76/393410976.db2.gz UDDYYWKOBOLFCV-CUBALJKWSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000488365891 393497525 /nfs/dbraw/zinc/49/75/25/393497525.db2.gz JUNDRXXMZBDLGO-MGPQQGTHSA-N 2 2 264.438 3.131 20 0 CGADLP Cc1cc(CNc2cc[nH+]c(C)c2Cl)cc(C)[nH+]1 ZINC000420657960 393517421 /nfs/dbraw/zinc/51/74/21/393517421.db2.gz XRSCCAHWFKDAET-UHFFFAOYSA-N 2 2 261.756 3.089 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000436412215 285539803 /nfs/dbraw/zinc/53/98/03/285539803.db2.gz PBPONHLZKIQYSN-IXDOHACOSA-N 2 2 281.403 3.124 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)CO1 ZINC000649734780 393564900 /nfs/dbraw/zinc/56/49/00/393564900.db2.gz ALYRVSKGTGAYOX-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)CO1 ZINC000649734780 393564902 /nfs/dbraw/zinc/56/49/02/393564902.db2.gz ALYRVSKGTGAYOX-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP Nc1cc(C[N@@H+]2CCCC3(CCCCC3)CC2)cc[nH+]1 ZINC000489045185 393572732 /nfs/dbraw/zinc/57/27/32/393572732.db2.gz SHROTCMUIJKFNX-UHFFFAOYSA-N 2 2 273.424 3.431 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430593775 393580620 /nfs/dbraw/zinc/58/06/20/393580620.db2.gz JEUNTWLWVWWBQM-QGZVFWFLSA-N 2 2 287.407 3.113 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360987455 393630658 /nfs/dbraw/zinc/63/06/58/393630658.db2.gz PPGDEXZBWVZJJN-WMLDXEAASA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360987455 393630661 /nfs/dbraw/zinc/63/06/61/393630661.db2.gz PPGDEXZBWVZJJN-WMLDXEAASA-N 2 2 288.435 3.234 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748895 393635974 /nfs/dbraw/zinc/63/59/74/393635974.db2.gz RJVUXPNRNYYYGQ-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748895 393635975 /nfs/dbraw/zinc/63/59/75/393635975.db2.gz RJVUXPNRNYYYGQ-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP COCCc1cc[nH+]c(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421856771 393636288 /nfs/dbraw/zinc/63/62/88/393636288.db2.gz OXKGQZGVKLNILV-INIZCTEOSA-N 2 2 297.402 3.025 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423186911 393653760 /nfs/dbraw/zinc/65/37/60/393653760.db2.gz KNTUNLQJBHFSEP-RRQGHBQHSA-N 2 2 258.409 3.213 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423196626 393654750 /nfs/dbraw/zinc/65/47/50/393654750.db2.gz VSZJKABUZLSTOH-NVXWUHKLSA-N 2 2 288.435 3.365 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)o1 ZINC000423261544 393655947 /nfs/dbraw/zinc/65/59/47/393655947.db2.gz KBPDJEPZPDEDLV-LRDDRELGSA-N 2 2 264.413 3.455 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423297169 393659878 /nfs/dbraw/zinc/65/98/78/393659878.db2.gz JASDXEAQBIGILX-FZMZJTMJSA-N 2 2 282.428 3.470 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423297550 393660205 /nfs/dbraw/zinc/66/02/05/393660205.db2.gz KTLLIAASPFBEMP-ZYHUDNBSSA-N 2 2 256.340 3.133 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc2c(s1)CCCC2 ZINC000423353375 393662622 /nfs/dbraw/zinc/66/26/22/393662622.db2.gz BMXYXCWXOAPOEI-DYEKYZERSA-N 2 2 278.465 3.276 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357139 393664035 /nfs/dbraw/zinc/66/40/35/393664035.db2.gz HUYCBRORYJDNNY-MJVIPROJSA-N 2 2 286.341 3.354 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)[NH+]1CCCC1 ZINC000361078161 393667132 /nfs/dbraw/zinc/66/71/32/393667132.db2.gz GHAXITIRSMDXDC-CRAIPNDOSA-N 2 2 288.435 3.234 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423484572 393670457 /nfs/dbraw/zinc/67/04/57/393670457.db2.gz YPHOYWLXSCAMMZ-PWSUYJOCSA-N 2 2 273.207 3.308 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](CNc1cc[nH+]c3ccccc13)CCC2 ZINC000361190736 393699308 /nfs/dbraw/zinc/69/93/08/393699308.db2.gz WUSDJCOPLWQOEF-AWEZNQCLSA-N 2 2 292.386 3.151 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498188 393759586 /nfs/dbraw/zinc/75/95/86/393759586.db2.gz HMZXNBLJIJGGMB-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498188 393759588 /nfs/dbraw/zinc/75/95/88/393759588.db2.gz HMZXNBLJIJGGMB-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000446941163 393863986 /nfs/dbraw/zinc/86/39/86/393863986.db2.gz YLRUFJCBZDQBPJ-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000446941163 393863990 /nfs/dbraw/zinc/86/39/90/393863990.db2.gz YLRUFJCBZDQBPJ-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)c1ccccc1 ZINC000502686420 393881780 /nfs/dbraw/zinc/88/17/80/393881780.db2.gz KESXHMYPYRHRIL-BSDSXHPESA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449554841 393899812 /nfs/dbraw/zinc/89/98/12/393899812.db2.gz DVKXUTJBTAAUAC-QWRGUYRKSA-N 2 2 274.861 3.262 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000501120123 393847614 /nfs/dbraw/zinc/84/76/14/393847614.db2.gz LGQNCDODBLEGNK-HNNXBMFYSA-N 2 2 262.441 3.284 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000501453362 393852930 /nfs/dbraw/zinc/85/29/30/393852930.db2.gz SFTJKZDAKCNSOM-CRAIPNDOSA-N 2 2 292.467 3.255 20 0 CGADLP Clc1cscc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996687 542833339 /nfs/dbraw/zinc/83/33/39/542833339.db2.gz AAIMYPGYHDUZFE-NSHDSACASA-N 2 2 270.829 3.166 20 0 CGADLP Cc1nc(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)sc1C ZINC000667046449 542839192 /nfs/dbraw/zinc/83/91/92/542839192.db2.gz FPYFAWFNOWEEEQ-OAHLLOKOSA-N 2 2 295.496 3.313 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOCC12CCCCC2 ZINC000449624182 393924416 /nfs/dbraw/zinc/92/44/16/393924416.db2.gz MZLMLXCCMNGNQJ-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOCC12CCCCC2 ZINC000449624182 393924417 /nfs/dbraw/zinc/92/44/17/393924417.db2.gz MZLMLXCCMNGNQJ-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP CO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636662 393930383 /nfs/dbraw/zinc/93/03/83/393930383.db2.gz WVODISHRPKRKRW-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636662 393930386 /nfs/dbraw/zinc/93/03/86/393930386.db2.gz WVODISHRPKRKRW-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000450476808 393999149 /nfs/dbraw/zinc/99/91/49/393999149.db2.gz RUGUHBBUXQHODU-YESZJQIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000450476808 393999153 /nfs/dbraw/zinc/99/91/53/393999153.db2.gz RUGUHBBUXQHODU-YESZJQIVSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453075964 394162857 /nfs/dbraw/zinc/16/28/57/394162857.db2.gz JBQIQWGCSIUNJU-DLBZAZTESA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253353 394221931 /nfs/dbraw/zinc/22/19/31/394221931.db2.gz HZCKCIPEDUZQPS-WOSRLPQWSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253353 394221934 /nfs/dbraw/zinc/22/19/34/394221934.db2.gz HZCKCIPEDUZQPS-WOSRLPQWSA-N 2 2 264.388 3.125 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453463958 394247977 /nfs/dbraw/zinc/24/79/77/394247977.db2.gz XTSAQMKANOCPRR-LQKXBSAESA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000453463958 394247980 /nfs/dbraw/zinc/24/79/80/394247980.db2.gz XTSAQMKANOCPRR-LQKXBSAESA-N 2 2 250.430 3.026 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC2CC(F)(F)C2)c[nH+]1 ZINC000453574183 394249842 /nfs/dbraw/zinc/24/98/42/394249842.db2.gz BMPXABLPNBANOB-UHFFFAOYSA-N 2 2 268.351 3.348 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2cccs2)C(C)C)n1C ZINC000667506101 542882283 /nfs/dbraw/zinc/88/22/83/542882283.db2.gz AUGLEDQMQOXQQC-UHFFFAOYSA-N 2 2 263.410 3.201 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2cccs2)C(C)C)n1C ZINC000667506101 542882285 /nfs/dbraw/zinc/88/22/85/542882285.db2.gz AUGLEDQMQOXQQC-UHFFFAOYSA-N 2 2 263.410 3.201 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)n1C ZINC000667642220 542902730 /nfs/dbraw/zinc/90/27/30/542902730.db2.gz SPIIVMFBISUORM-AWEZNQCLSA-N 2 2 263.429 3.377 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)CCC2 ZINC000667642324 542903321 /nfs/dbraw/zinc/90/33/21/542903321.db2.gz XGBJLWPROUBYBC-KRWDZBQOSA-N 2 2 271.408 3.152 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860073 542938193 /nfs/dbraw/zinc/93/81/93/542938193.db2.gz GFWKNBJVNHOWIB-LVQVYYBASA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860073 542938195 /nfs/dbraw/zinc/93/81/95/542938195.db2.gz GFWKNBJVNHOWIB-LVQVYYBASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857171 542938552 /nfs/dbraw/zinc/93/85/52/542938552.db2.gz CZVXPNJLESETOP-DGADGQDISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857171 542938554 /nfs/dbraw/zinc/93/85/54/542938554.db2.gz CZVXPNJLESETOP-DGADGQDISA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH]c2c1 ZINC000667947288 542948636 /nfs/dbraw/zinc/94/86/36/542948636.db2.gz LMRMDGORPMTWKQ-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)[nH]c2c1 ZINC000667947288 542948638 /nfs/dbraw/zinc/94/86/38/542948638.db2.gz LMRMDGORPMTWKQ-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)[nH]c2c1 ZINC000667947288 542948640 /nfs/dbraw/zinc/94/86/40/542948640.db2.gz LMRMDGORPMTWKQ-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)[nH]c2c1 ZINC000667947288 542948642 /nfs/dbraw/zinc/94/86/42/542948642.db2.gz LMRMDGORPMTWKQ-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668106924 542971552 /nfs/dbraw/zinc/97/15/52/542971552.db2.gz PTDBBHCNIYVIFW-GOSISDBHSA-N 2 2 299.393 3.208 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668106924 542971556 /nfs/dbraw/zinc/97/15/56/542971556.db2.gz PTDBBHCNIYVIFW-GOSISDBHSA-N 2 2 299.393 3.208 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423248884 285600430 /nfs/dbraw/zinc/60/04/30/285600430.db2.gz RGEGCDQFVYZUSE-ZDUSSCGKSA-N 2 2 284.856 3.466 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1C ZINC000668143130 542975194 /nfs/dbraw/zinc/97/51/94/542975194.db2.gz NDEPTWBIRDHOHJ-GUDVDZBRSA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1C ZINC000668143130 542975196 /nfs/dbraw/zinc/97/51/96/542975196.db2.gz NDEPTWBIRDHOHJ-GUDVDZBRSA-N 2 2 295.430 3.497 20 0 CGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000668169403 542979500 /nfs/dbraw/zinc/97/95/00/542979500.db2.gz QHCVSQILNMPVAI-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000668169403 542979502 /nfs/dbraw/zinc/97/95/02/542979502.db2.gz QHCVSQILNMPVAI-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)n1C ZINC000668298664 543003428 /nfs/dbraw/zinc/00/34/28/543003428.db2.gz GOADUDMFALUGHD-OAHLLOKOSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)n1C ZINC000668298664 543003431 /nfs/dbraw/zinc/00/34/31/543003431.db2.gz GOADUDMFALUGHD-OAHLLOKOSA-N 2 2 261.413 3.273 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000668682693 543044585 /nfs/dbraw/zinc/04/45/85/543044585.db2.gz MKQDULLEPQATCK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000668682693 543044588 /nfs/dbraw/zinc/04/45/88/543044588.db2.gz MKQDULLEPQATCK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000671708571 543179162 /nfs/dbraw/zinc/17/91/62/543179162.db2.gz CJYMTRJXUZTUOM-DJYNDVHFSA-N 2 2 292.373 3.052 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000671708571 543179163 /nfs/dbraw/zinc/17/91/63/543179163.db2.gz CJYMTRJXUZTUOM-DJYNDVHFSA-N 2 2 292.373 3.052 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672604097 543219055 /nfs/dbraw/zinc/21/90/55/543219055.db2.gz QUCJOFZTFVWODU-DJIMGWMZSA-N 2 2 283.419 3.482 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916006 397609200 /nfs/dbraw/zinc/60/92/00/397609200.db2.gz PZIHBZWQIDWHJD-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916006 397609202 /nfs/dbraw/zinc/60/92/02/397609202.db2.gz PZIHBZWQIDWHJD-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684732 397619541 /nfs/dbraw/zinc/61/95/41/397619541.db2.gz IZUNILLLCQWFGV-NVXWUHKLSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684732 397619542 /nfs/dbraw/zinc/61/95/42/397619542.db2.gz IZUNILLLCQWFGV-NVXWUHKLSA-N 2 2 258.409 3.272 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352843920 397685880 /nfs/dbraw/zinc/68/58/80/397685880.db2.gz DCQYCOSTXILSCX-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352843920 397685883 /nfs/dbraw/zinc/68/58/83/397685883.db2.gz DCQYCOSTXILSCX-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC000674863650 543300443 /nfs/dbraw/zinc/30/04/43/543300443.db2.gz NMBPUVAWRFMRCV-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC000674863650 543300444 /nfs/dbraw/zinc/30/04/44/543300444.db2.gz NMBPUVAWRFMRCV-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000675765348 543361696 /nfs/dbraw/zinc/36/16/96/543361696.db2.gz DCACVEMWWJXLSG-HIFRSBDPSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000675765348 543361699 /nfs/dbraw/zinc/36/16/99/543361699.db2.gz DCACVEMWWJXLSG-HIFRSBDPSA-N 2 2 264.388 3.187 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768398 543363284 /nfs/dbraw/zinc/36/32/84/543363284.db2.gz XGYXARSFUQWKCT-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768398 543363285 /nfs/dbraw/zinc/36/32/85/543363285.db2.gz XGYXARSFUQWKCT-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000675732739 543358639 /nfs/dbraw/zinc/35/86/39/543358639.db2.gz FHAHPTONZJQGKW-SJLPKXTDSA-N 2 2 286.463 3.451 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000675732739 543358640 /nfs/dbraw/zinc/35/86/40/543358640.db2.gz FHAHPTONZJQGKW-SJLPKXTDSA-N 2 2 286.463 3.451 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924504 543374295 /nfs/dbraw/zinc/37/42/95/543374295.db2.gz KLPZPQXUZQUSLT-ZIAGYGMSSA-N 2 2 266.454 3.001 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924504 543374298 /nfs/dbraw/zinc/37/42/98/543374298.db2.gz KLPZPQXUZQUSLT-ZIAGYGMSSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490262 543399434 /nfs/dbraw/zinc/39/94/34/543399434.db2.gz PFJWZXKDBMJEMZ-YJBOKZPZSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490262 543399436 /nfs/dbraw/zinc/39/94/36/543399436.db2.gz PFJWZXKDBMJEMZ-YJBOKZPZSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H](CC1CCCC1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000676871363 543421263 /nfs/dbraw/zinc/42/12/63/543421263.db2.gz IHOFEPAAGAEZRL-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000677127547 543434089 /nfs/dbraw/zinc/43/40/89/543434089.db2.gz MWNGPNIAFVQVET-DDKJEQMHSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000677127547 543434091 /nfs/dbraw/zinc/43/40/91/543434091.db2.gz MWNGPNIAFVQVET-DDKJEQMHSA-N 2 2 278.827 3.427 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000677153059 543437724 /nfs/dbraw/zinc/43/77/24/543437724.db2.gz UMRRENOKOQVQLT-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000677153059 543437727 /nfs/dbraw/zinc/43/77/27/543437727.db2.gz UMRRENOKOQVQLT-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000346554465 292169009 /nfs/dbraw/zinc/16/90/09/292169009.db2.gz IGBPEIUBQOAOEM-ZMSDIMECSA-N 2 2 296.499 3.290 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000677745350 543463481 /nfs/dbraw/zinc/46/34/81/543463481.db2.gz LGYAOAGTFKTNIT-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000677745350 543463482 /nfs/dbraw/zinc/46/34/82/543463482.db2.gz LGYAOAGTFKTNIT-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3nccc4ccccc43)CC2)[nH]1 ZINC000678220811 543494677 /nfs/dbraw/zinc/49/46/77/543494677.db2.gz RONCYQWDXIOLJU-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nccc3ccccc32)CC[N@@H+]1C ZINC000678277535 543509720 /nfs/dbraw/zinc/50/97/20/543509720.db2.gz AGRNZRBEFUZBFW-ZBFHGGJFSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nccc3ccccc32)CC[N@H+]1C ZINC000678277535 543509722 /nfs/dbraw/zinc/50/97/22/543509722.db2.gz AGRNZRBEFUZBFW-ZBFHGGJFSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277535 543509724 /nfs/dbraw/zinc/50/97/24/543509724.db2.gz AGRNZRBEFUZBFW-ZBFHGGJFSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277535 543509726 /nfs/dbraw/zinc/50/97/26/543509726.db2.gz AGRNZRBEFUZBFW-ZBFHGGJFSA-N 2 2 283.419 3.149 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678498098 543531860 /nfs/dbraw/zinc/53/18/60/543531860.db2.gz ZVYUBXVQYJFLCA-HOCLYGCPSA-N 2 2 271.408 3.340 20 0 CGADLP C[C@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)[N@H+](C)C1CC1 ZINC000678769595 543555095 /nfs/dbraw/zinc/55/50/95/543555095.db2.gz WQLWBUYMCKOPCK-HBUWYVDXSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000678769595 543555099 /nfs/dbraw/zinc/55/50/99/543555099.db2.gz WQLWBUYMCKOPCK-HBUWYVDXSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678768201 543555358 /nfs/dbraw/zinc/55/53/58/543555358.db2.gz HGLDUQFYSRZFIO-IIDMSEBBSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678768201 543555362 /nfs/dbraw/zinc/55/53/62/543555362.db2.gz HGLDUQFYSRZFIO-IIDMSEBBSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678771968 543555633 /nfs/dbraw/zinc/55/56/33/543555633.db2.gz SFWMWBAZQVUGTC-DKSSEZFCSA-N 2 2 284.447 3.384 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678771968 543555638 /nfs/dbraw/zinc/55/56/38/543555638.db2.gz SFWMWBAZQVUGTC-DKSSEZFCSA-N 2 2 284.447 3.384 20 0 CGADLP c1ccc([C@H](C[NH2+][C@H]2CCCSC2)[NH+]2CCCC2)cc1 ZINC000061571563 296618681 /nfs/dbraw/zinc/61/86/81/296618681.db2.gz FCPFNCHGLJBKCL-IRXDYDNUSA-N 2 2 290.476 3.309 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678822879 543563654 /nfs/dbraw/zinc/56/36/54/543563654.db2.gz KBSGPXLMQILCHE-DOTOQJQBSA-N 2 2 299.418 3.332 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678822879 543563658 /nfs/dbraw/zinc/56/36/58/543563658.db2.gz KBSGPXLMQILCHE-DOTOQJQBSA-N 2 2 299.418 3.332 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352683856 292248254 /nfs/dbraw/zinc/24/82/54/292248254.db2.gz LSLOSSJFFNJVBI-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352683856 292248256 /nfs/dbraw/zinc/24/82/56/292248256.db2.gz LSLOSSJFFNJVBI-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329090 292383581 /nfs/dbraw/zinc/38/35/81/292383581.db2.gz YCWHZPXCCLMLCL-UXLLHSPISA-N 2 2 278.440 3.083 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1Br ZINC000423326992 286903382 /nfs/dbraw/zinc/90/33/82/286903382.db2.gz MQSYJCXIUGBTBV-CYBMUJFWSA-N 2 2 297.240 3.371 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069382576 286983786 /nfs/dbraw/zinc/98/37/86/286983786.db2.gz YUJQDBMXXFZMMG-OLZOCXBDSA-N 2 2 289.345 3.374 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)s1 ZINC000070143436 165057252 /nfs/dbraw/zinc/05/72/52/165057252.db2.gz NGCOVSPREKMMMH-LLVKDONJSA-N 2 2 292.452 3.015 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC000075860016 165106063 /nfs/dbraw/zinc/10/60/63/165106063.db2.gz QYAFNLYOYWRYIF-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(F)c1 ZINC000075860016 165106066 /nfs/dbraw/zinc/10/60/66/165106066.db2.gz QYAFNLYOYWRYIF-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(F)c1 ZINC000075860016 165106068 /nfs/dbraw/zinc/10/60/68/165106068.db2.gz QYAFNLYOYWRYIF-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)c(F)c1 ZINC000075860016 165106071 /nfs/dbraw/zinc/10/60/71/165106071.db2.gz QYAFNLYOYWRYIF-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP CC(C)[NH+](CCNc1[nH+]c2ccccc2n1C)C(C)C ZINC000079043933 165142657 /nfs/dbraw/zinc/14/26/57/165142657.db2.gz QUPFQTCLTCKPQS-UHFFFAOYSA-N 2 2 274.412 3.104 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000090003652 165225421 /nfs/dbraw/zinc/22/54/21/165225421.db2.gz KYUVAQRKIRZAFJ-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000090003652 165225424 /nfs/dbraw/zinc/22/54/24/165225424.db2.gz KYUVAQRKIRZAFJ-MRXNPFEDSA-N 2 2 275.440 3.255 20 0 CGADLP CCCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000090402521 165231527 /nfs/dbraw/zinc/23/15/27/165231527.db2.gz GJOAKCLJEPIOSA-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CCCC2)n1-c1ccccc1 ZINC000090992079 165249075 /nfs/dbraw/zinc/24/90/75/165249075.db2.gz VTBPPQGCPJIYTA-UHFFFAOYSA-N 2 2 255.365 3.213 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1F ZINC000090963228 165251308 /nfs/dbraw/zinc/25/13/08/165251308.db2.gz ACWUVDAASXPJPP-RWMBFGLXSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1F ZINC000090963228 165251309 /nfs/dbraw/zinc/25/13/09/165251309.db2.gz ACWUVDAASXPJPP-RWMBFGLXSA-N 2 2 280.362 3.242 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000091961050 165276818 /nfs/dbraw/zinc/27/68/18/165276818.db2.gz GTSWLQFAXDVPJY-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000091961050 165276820 /nfs/dbraw/zinc/27/68/20/165276820.db2.gz GTSWLQFAXDVPJY-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246747706 287128697 /nfs/dbraw/zinc/12/86/97/287128697.db2.gz FRWRUPARPZZYJI-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246747706 287128698 /nfs/dbraw/zinc/12/86/98/287128698.db2.gz FRWRUPARPZZYJI-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246747706 287128700 /nfs/dbraw/zinc/12/87/00/287128700.db2.gz FRWRUPARPZZYJI-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246747706 287128701 /nfs/dbraw/zinc/12/87/01/287128701.db2.gz FRWRUPARPZZYJI-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@]1(C[NH2+]CC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121818549 287203834 /nfs/dbraw/zinc/20/38/34/287203834.db2.gz MYRKHEPUTPASNU-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP C[C@]1(C[NH2+]CC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000121818549 287203835 /nfs/dbraw/zinc/20/38/35/287203835.db2.gz MYRKHEPUTPASNU-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122276673 287208100 /nfs/dbraw/zinc/20/81/00/287208100.db2.gz WVHIBIYEGVXSCM-FZMZJTMJSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000122276673 287208102 /nfs/dbraw/zinc/20/81/02/287208102.db2.gz WVHIBIYEGVXSCM-FZMZJTMJSA-N 2 2 298.352 3.420 20 0 CGADLP c1ccc(C[NH+]2CCC(CNc3cccc[nH+]3)CC2)cc1 ZINC000008731184 170351297 /nfs/dbraw/zinc/35/12/97/170351297.db2.gz SGOGGRWKNJRAMP-UHFFFAOYSA-N 2 2 281.403 3.406 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000125278014 287242018 /nfs/dbraw/zinc/24/20/18/287242018.db2.gz SYPWCYSATQTNJY-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000020126884 171011900 /nfs/dbraw/zinc/01/19/00/171011900.db2.gz XNEOPOVJJKXIEL-GFCCVEGCSA-N 2 2 284.350 3.034 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2c(F)cccc2F)CC1 ZINC000020146227 171032388 /nfs/dbraw/zinc/03/23/88/171032388.db2.gz LAZFTBOWTXYUHR-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186756 171050739 /nfs/dbraw/zinc/05/07/39/171050739.db2.gz UJQZASQAYQSIIQ-OLZOCXBDSA-N 2 2 259.397 3.369 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000020189027 171054105 /nfs/dbraw/zinc/05/41/05/171054105.db2.gz ZCQHOVHRVQXSJW-CZUORRHYSA-N 2 2 276.424 3.365 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC000020317465 171147729 /nfs/dbraw/zinc/14/77/29/171147729.db2.gz DULBOPFVEQCPEA-UHFFFAOYSA-N 2 2 256.353 3.254 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000020506111 171228392 /nfs/dbraw/zinc/22/83/92/171228392.db2.gz RLBPUCYLUMFIGU-LBPRGKRZSA-N 2 2 295.333 3.225 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000020826544 171273590 /nfs/dbraw/zinc/27/35/90/171273590.db2.gz YREJZZNZGPGISO-SFHVURJKSA-N 2 2 297.446 3.348 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)Cn1cc[nH+]c1 ZINC000285380490 196265838 /nfs/dbraw/zinc/26/58/38/196265838.db2.gz GPOKWMMSLBUBIY-YWVDXFKGSA-N 2 2 291.345 3.100 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126795290 287273621 /nfs/dbraw/zinc/27/36/21/287273621.db2.gz CRCNCUXNDRJVJY-GFCCVEGCSA-N 2 2 266.454 3.229 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126795290 287273623 /nfs/dbraw/zinc/27/36/23/287273623.db2.gz CRCNCUXNDRJVJY-GFCCVEGCSA-N 2 2 266.454 3.229 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CCCCC1 ZINC000038029034 174018630 /nfs/dbraw/zinc/01/86/30/174018630.db2.gz QVEBOQUEHHBRSJ-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000038028876 174018817 /nfs/dbraw/zinc/01/88/17/174018817.db2.gz LOIGMKPIXWMIDB-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cs1 ZINC000038042001 174044179 /nfs/dbraw/zinc/04/41/79/174044179.db2.gz ZFNHNHDCCBVQEF-STQMWFEESA-N 2 2 281.469 3.224 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000038087764 174100321 /nfs/dbraw/zinc/10/03/21/174100321.db2.gz RXGBWSQFGPQBKT-NUYPLMSZSA-N 2 2 266.816 3.126 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640035 174364044 /nfs/dbraw/zinc/36/40/44/174364044.db2.gz FTUROJASNBCSNP-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000040640035 174364046 /nfs/dbraw/zinc/36/40/46/174364046.db2.gz FTUROJASNBCSNP-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000043326620 175008209 /nfs/dbraw/zinc/00/82/09/175008209.db2.gz HZNHITVKTOZGFM-MFKMUULPSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000043533901 175062814 /nfs/dbraw/zinc/06/28/14/175062814.db2.gz MTRNNTILLFDTKQ-CABCVRRESA-N 2 2 257.381 3.055 20 0 CGADLP CCC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000071314651 176120921 /nfs/dbraw/zinc/12/09/21/176120921.db2.gz NWTSLUKJMNYEBA-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000071314651 176120923 /nfs/dbraw/zinc/12/09/23/176120923.db2.gz NWTSLUKJMNYEBA-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000679039600 543586023 /nfs/dbraw/zinc/58/60/23/543586023.db2.gz SCQHTTPJFIMFON-FMKPAKJESA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000679039600 543586026 /nfs/dbraw/zinc/58/60/26/543586026.db2.gz SCQHTTPJFIMFON-FMKPAKJESA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1F ZINC000679220805 543601920 /nfs/dbraw/zinc/60/19/20/543601920.db2.gz JQRKVPHOOWWSIR-CZUORRHYSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1F ZINC000679220805 543601922 /nfs/dbraw/zinc/60/19/22/543601922.db2.gz JQRKVPHOOWWSIR-CZUORRHYSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000130067440 287344350 /nfs/dbraw/zinc/34/43/50/287344350.db2.gz IPONRQGHMLYMMQ-HZMBPMFUSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000130067440 287344351 /nfs/dbraw/zinc/34/43/51/287344351.db2.gz IPONRQGHMLYMMQ-HZMBPMFUSA-N 2 2 287.234 3.423 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)[C@@H](C)C2 ZINC000679342013 543622591 /nfs/dbraw/zinc/62/25/91/543622591.db2.gz RDSXDLBYEBQKSF-UCLAIMLFSA-N 2 2 284.447 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)[C@@H](C)C2 ZINC000679342013 543622595 /nfs/dbraw/zinc/62/25/95/543622595.db2.gz RDSXDLBYEBQKSF-UCLAIMLFSA-N 2 2 284.447 3.302 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000130240646 287348457 /nfs/dbraw/zinc/34/84/57/287348457.db2.gz RHFCFIYXIDHRJT-HLLBOEOZSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000130240646 287348459 /nfs/dbraw/zinc/34/84/59/287348459.db2.gz RHFCFIYXIDHRJT-HLLBOEOZSA-N 2 2 272.436 3.395 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000679535887 543644104 /nfs/dbraw/zinc/64/41/04/543644104.db2.gz DHOYBVZNGZVHAA-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000679535887 543644106 /nfs/dbraw/zinc/64/41/06/543644106.db2.gz DHOYBVZNGZVHAA-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680329841 543698283 /nfs/dbraw/zinc/69/82/83/543698283.db2.gz RMEIFMOKHRBOSJ-OWCLPIDISA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680329841 543698285 /nfs/dbraw/zinc/69/82/85/543698285.db2.gz RMEIFMOKHRBOSJ-OWCLPIDISA-N 2 2 261.413 3.346 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000679815752 543661933 /nfs/dbraw/zinc/66/19/33/543661933.db2.gz CXIQBDXNYJCZTM-FXAWDEMLSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@H+]1CCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000679815752 543661936 /nfs/dbraw/zinc/66/19/36/543661936.db2.gz CXIQBDXNYJCZTM-FXAWDEMLSA-N 2 2 298.474 3.352 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000680336981 543699559 /nfs/dbraw/zinc/69/95/59/543699559.db2.gz IVFAHCHBIYFYQI-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000680336980 543699623 /nfs/dbraw/zinc/69/96/23/543699623.db2.gz IVFAHCHBIYFYQI-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681007587 543755958 /nfs/dbraw/zinc/75/59/58/543755958.db2.gz QYYBDSPWUOMRFH-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681007587 543755961 /nfs/dbraw/zinc/75/59/61/543755961.db2.gz QYYBDSPWUOMRFH-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1F ZINC000130544645 287358026 /nfs/dbraw/zinc/35/80/26/287358026.db2.gz ZXGZGWLYULHYGI-ZDUSSCGKSA-N 2 2 283.350 3.367 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000681973619 543813192 /nfs/dbraw/zinc/81/31/92/543813192.db2.gz YSRPIIRIEYSZFF-KURKYZTESA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000681973619 543813195 /nfs/dbraw/zinc/81/31/95/543813195.db2.gz YSRPIIRIEYSZFF-KURKYZTESA-N 2 2 272.436 3.082 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681547837 543793451 /nfs/dbraw/zinc/79/34/51/543793451.db2.gz POYMZROKEKUNFS-QAPCUYQASA-N 2 2 285.435 3.007 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681547837 543793453 /nfs/dbraw/zinc/79/34/53/543793453.db2.gz POYMZROKEKUNFS-QAPCUYQASA-N 2 2 285.435 3.007 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000131059291 287369598 /nfs/dbraw/zinc/36/95/98/287369598.db2.gz BAISEQJBTSSPEK-DLBZAZTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000131059291 287369599 /nfs/dbraw/zinc/36/95/99/287369599.db2.gz BAISEQJBTSSPEK-DLBZAZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000131247969 287374128 /nfs/dbraw/zinc/37/41/28/287374128.db2.gz QWQZFRJEIRTDQB-HYVNUMGLSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000131247969 287374130 /nfs/dbraw/zinc/37/41/30/287374130.db2.gz QWQZFRJEIRTDQB-HYVNUMGLSA-N 2 2 272.436 3.395 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131489484 287381786 /nfs/dbraw/zinc/38/17/86/287381786.db2.gz FXSFFZHQNFFFCB-KRWDZBQOSA-N 2 2 271.408 3.145 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131489484 287381789 /nfs/dbraw/zinc/38/17/89/287381789.db2.gz FXSFFZHQNFFFCB-KRWDZBQOSA-N 2 2 271.408 3.145 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H]1CCOC1 ZINC000683003281 543887512 /nfs/dbraw/zinc/88/75/12/543887512.db2.gz ZGMDRMKLVBXFSL-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H]1CCOC1 ZINC000683003281 543887514 /nfs/dbraw/zinc/88/75/14/543887514.db2.gz ZGMDRMKLVBXFSL-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000366984959 226106844 /nfs/dbraw/zinc/10/68/44/226106844.db2.gz YUGMMQSXOHAKKS-OAHLLOKOSA-N 2 2 293.773 3.107 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000366984959 226106848 /nfs/dbraw/zinc/10/68/48/226106848.db2.gz YUGMMQSXOHAKKS-OAHLLOKOSA-N 2 2 293.773 3.107 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1[nH]nc2ccccc21 ZINC000685459568 544073021 /nfs/dbraw/zinc/07/30/21/544073021.db2.gz BHVSEIPCBSNQRM-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1[nH]nc2ccccc21 ZINC000685459568 544073022 /nfs/dbraw/zinc/07/30/22/544073022.db2.gz BHVSEIPCBSNQRM-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1n[nH]c2ccccc21 ZINC000685459568 544073026 /nfs/dbraw/zinc/07/30/26/544073026.db2.gz BHVSEIPCBSNQRM-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1n[nH]c2ccccc21 ZINC000685459568 544073028 /nfs/dbraw/zinc/07/30/28/544073028.db2.gz BHVSEIPCBSNQRM-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP Cc1[nH+]ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000684890461 544035655 /nfs/dbraw/zinc/03/56/55/544035655.db2.gz MJWVNNRDTDTZNY-LBPRGKRZSA-N 2 2 276.771 3.081 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000652220528 418937252 /nfs/dbraw/zinc/93/72/52/418937252.db2.gz CDXXDPOQKIUFRF-CQSZACIVSA-N 2 2 252.402 3.217 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000652220528 418937255 /nfs/dbraw/zinc/93/72/55/418937255.db2.gz CDXXDPOQKIUFRF-CQSZACIVSA-N 2 2 252.402 3.217 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222781 418938148 /nfs/dbraw/zinc/93/81/48/418938148.db2.gz XTZYENWZGCTWNQ-OAHLLOKOSA-N 2 2 277.456 3.273 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222781 418938152 /nfs/dbraw/zinc/93/81/52/418938152.db2.gz XTZYENWZGCTWNQ-OAHLLOKOSA-N 2 2 277.456 3.273 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939680 /nfs/dbraw/zinc/93/96/80/418939680.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 3 2 295.515 3.103 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939682 /nfs/dbraw/zinc/93/96/82/418939682.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939686 /nfs/dbraw/zinc/93/96/86/418939686.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237352 418939690 /nfs/dbraw/zinc/93/96/90/418939690.db2.gz NCTSZHPGSSAYFC-IRXDYDNUSA-N 3 2 295.515 3.103 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659974972 419050493 /nfs/dbraw/zinc/05/04/93/419050493.db2.gz SLOYYGZFDVBDPT-LVQVYYBASA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659974972 419050495 /nfs/dbraw/zinc/05/04/95/419050495.db2.gz SLOYYGZFDVBDPT-LVQVYYBASA-N 2 2 252.446 3.085 20 0 CGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523004 419043025 /nfs/dbraw/zinc/04/30/25/419043025.db2.gz YYOREAQNVMHYOO-HZPDHXFCSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523004 419043027 /nfs/dbraw/zinc/04/30/27/419043027.db2.gz YYOREAQNVMHYOO-HZPDHXFCSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523004 419043031 /nfs/dbraw/zinc/04/30/31/419043031.db2.gz YYOREAQNVMHYOO-HZPDHXFCSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523004 419043034 /nfs/dbraw/zinc/04/30/34/419043034.db2.gz YYOREAQNVMHYOO-HZPDHXFCSA-N 2 2 296.455 3.064 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCCC1 ZINC000665248233 419093007 /nfs/dbraw/zinc/09/30/07/419093007.db2.gz SJPKTXCKXBMYQH-QGZVFWFLSA-N 2 2 281.403 3.032 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccoc1 ZINC000665253909 419094101 /nfs/dbraw/zinc/09/41/01/419094101.db2.gz CJNUSRQXLFDPAD-JCURWCKSSA-N 2 2 288.366 3.215 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655857200 419124521 /nfs/dbraw/zinc/12/45/21/419124521.db2.gz SOWYLSDCSIDOGM-QZTJIDSGSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655857200 419124522 /nfs/dbraw/zinc/12/45/22/419124522.db2.gz SOWYLSDCSIDOGM-QZTJIDSGSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)cc2c1 ZINC000665262061 419095822 /nfs/dbraw/zinc/09/58/22/419095822.db2.gz SEBZOTOYYUOECN-XJKSGUPXSA-N 2 2 272.392 3.361 20 0 CGADLP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)ccc1F ZINC000665279642 419101129 /nfs/dbraw/zinc/10/11/29/419101129.db2.gz IHHPZXJZKSEZQQ-AJQRCPHMSA-N 2 2 280.362 3.004 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000655857617 419124758 /nfs/dbraw/zinc/12/47/58/419124758.db2.gz UNZDBNSUYNWGHS-JKSUJKDBSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)s1 ZINC000655857617 419124762 /nfs/dbraw/zinc/12/47/62/419124762.db2.gz UNZDBNSUYNWGHS-JKSUJKDBSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)n2c1 ZINC000655811106 419103126 /nfs/dbraw/zinc/10/31/26/419103126.db2.gz HYMZCNFGQOUPOX-AEFFLSMTSA-N 2 2 299.418 3.080 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000665296576 419108457 /nfs/dbraw/zinc/10/84/57/419108457.db2.gz UVEPCYDISKIYNX-SKDRFNHKSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000665296224 419109316 /nfs/dbraw/zinc/10/93/16/419109316.db2.gz OZWLAEHABYQFAV-QWRGUYRKSA-N 2 2 288.407 3.302 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000665298407 419110134 /nfs/dbraw/zinc/11/01/34/419110134.db2.gz VQKCBWLNSZRMMK-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000655844568 419117662 /nfs/dbraw/zinc/11/76/62/419117662.db2.gz QJYLHWYGYDAFMI-JCNLHEQBSA-N 2 2 299.418 3.308 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847904 419118429 /nfs/dbraw/zinc/11/84/29/419118429.db2.gz FLLLRWIDJDPPLG-PVAVHDDUSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847904 419118430 /nfs/dbraw/zinc/11/84/30/419118430.db2.gz FLLLRWIDJDPPLG-PVAVHDDUSA-N 2 2 276.424 3.207 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655849876 419120090 /nfs/dbraw/zinc/12/00/90/419120090.db2.gz ZWPRKVDSDWIJMI-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655849876 419120091 /nfs/dbraw/zinc/12/00/91/419120091.db2.gz ZWPRKVDSDWIJMI-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000655850221 419120737 /nfs/dbraw/zinc/12/07/37/419120737.db2.gz FNUXOVZMFMQCTL-GVDBMIGSSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000655850221 419120741 /nfs/dbraw/zinc/12/07/41/419120741.db2.gz FNUXOVZMFMQCTL-GVDBMIGSSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)[C@H]1CCCCO1 ZINC000655855669 419123070 /nfs/dbraw/zinc/12/30/70/419123070.db2.gz GGDWIXVCSFTGQJ-JKSUJKDBSA-N 2 2 287.407 3.080 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655856086 419123090 /nfs/dbraw/zinc/12/30/90/419123090.db2.gz JXMRSYKXINYQGU-HZPDHXFCSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655856086 419123091 /nfs/dbraw/zinc/12/30/91/419123091.db2.gz JXMRSYKXINYQGU-HZPDHXFCSA-N 2 2 278.827 3.447 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC000659995768 419059480 /nfs/dbraw/zinc/05/94/80/419059480.db2.gz CKNBZUSBETZUJD-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC000659995768 419059483 /nfs/dbraw/zinc/05/94/83/419059483.db2.gz CKNBZUSBETZUJD-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC000659995768 419059485 /nfs/dbraw/zinc/05/94/85/419059485.db2.gz CKNBZUSBETZUJD-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC000659995768 419059488 /nfs/dbraw/zinc/05/94/88/419059488.db2.gz CKNBZUSBETZUJD-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855501 419123537 /nfs/dbraw/zinc/12/35/37/419123537.db2.gz FLOMWDPVPMBDLC-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855501 419123541 /nfs/dbraw/zinc/12/35/41/419123541.db2.gz FLOMWDPVPMBDLC-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660065230 419069061 /nfs/dbraw/zinc/06/90/61/419069061.db2.gz RKTIQZGYCZCIFV-BFYDXBDKSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660065230 419069066 /nfs/dbraw/zinc/06/90/66/419069066.db2.gz RKTIQZGYCZCIFV-BFYDXBDKSA-N 2 2 262.441 3.290 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068488 419071609 /nfs/dbraw/zinc/07/16/09/419071609.db2.gz JGDCMZCEKQFWHP-IAGOWNOFSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068488 419071613 /nfs/dbraw/zinc/07/16/13/419071613.db2.gz JGDCMZCEKQFWHP-IAGOWNOFSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000660464393 419148217 /nfs/dbraw/zinc/14/82/17/419148217.db2.gz ACZMTHMXBKWHGX-CQSZACIVSA-N 2 2 297.393 3.193 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000656199765 419149176 /nfs/dbraw/zinc/14/91/76/419149176.db2.gz CGRNGTYQDQFWRC-QAPCUYQASA-N 2 2 298.430 3.052 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000656199763 419149190 /nfs/dbraw/zinc/14/91/90/419149190.db2.gz CGRNGTYQDQFWRC-CRAIPNDOSA-N 2 2 298.430 3.052 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@H]1c1ccccc1 ZINC000660490436 419152732 /nfs/dbraw/zinc/15/27/32/419152732.db2.gz SWYPHIBLGPWHRL-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@H]1c1ccccc1 ZINC000660490436 419152735 /nfs/dbraw/zinc/15/27/35/419152735.db2.gz SWYPHIBLGPWHRL-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1C ZINC000656226510 419154985 /nfs/dbraw/zinc/15/49/85/419154985.db2.gz NBSIREVHZYXECK-UONOGXRCSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1C ZINC000656226510 419154989 /nfs/dbraw/zinc/15/49/89/419154989.db2.gz NBSIREVHZYXECK-UONOGXRCSA-N 2 2 299.422 3.004 20 0 CGADLP CC1C[NH+](CC2CC=CC2)CC[N@@H+](CC2CC=CC2)C1 ZINC000660741653 419187940 /nfs/dbraw/zinc/18/79/40/419187940.db2.gz REEODCGMAYZQPY-UHFFFAOYSA-N 2 2 274.452 3.173 20 0 CGADLP CC1C[NH+](CC2CC=CC2)CC[N@H+](CC2CC=CC2)C1 ZINC000660741653 419187942 /nfs/dbraw/zinc/18/79/42/419187942.db2.gz REEODCGMAYZQPY-UHFFFAOYSA-N 2 2 274.452 3.173 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)[C@@H]1C[C@@H]1C ZINC000666093750 419190155 /nfs/dbraw/zinc/19/01/55/419190155.db2.gz VCPDFLXWPQBXCA-IMJJTQAJSA-N 2 2 271.408 3.209 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000657326371 419250860 /nfs/dbraw/zinc/25/08/60/419250860.db2.gz MJLHDEHTCZYQLE-DOTOQJQBSA-N 2 2 292.471 3.064 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)C1CCC1)CCC2 ZINC000657347292 419256599 /nfs/dbraw/zinc/25/65/99/419256599.db2.gz WRSVRDPXGHVRAA-GOSISDBHSA-N 2 2 281.403 3.460 20 0 CGADLP C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361868 419259479 /nfs/dbraw/zinc/25/94/79/419259479.db2.gz SXOHCEWKYHBLSF-ZIAGYGMSSA-N 2 2 261.413 3.135 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000657390294 419267915 /nfs/dbraw/zinc/26/79/15/419267915.db2.gz WXWKDVGUGUUABX-GOEBONIOSA-N 2 2 288.435 3.109 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000657390294 419267917 /nfs/dbraw/zinc/26/79/17/419267917.db2.gz WXWKDVGUGUUABX-GOEBONIOSA-N 2 2 288.435 3.109 20 0 CGADLP Fc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000656789450 419221424 /nfs/dbraw/zinc/22/14/24/419221424.db2.gz ZUVKVZWHQCEDOE-QZTJIDSGSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789200 419221463 /nfs/dbraw/zinc/22/14/63/419221463.db2.gz QRZIODVMMUICPE-RTBURBONSA-N 2 2 280.415 3.230 20 0 CGADLP c1cn(CCC[N@@H+]2CC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578560 419274686 /nfs/dbraw/zinc/27/46/86/419274686.db2.gz PFFHCNRXHRROAC-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578560 419274687 /nfs/dbraw/zinc/27/46/87/419274687.db2.gz PFFHCNRXHRROAC-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)CC(C)(C)C ZINC000657442176 419279570 /nfs/dbraw/zinc/27/95/70/419279570.db2.gz OJDLARJOLGBXHU-CYBMUJFWSA-N 2 2 263.429 3.381 20 0 CGADLP Cc1ccc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)[nH]c2c1 ZINC000657459751 419283939 /nfs/dbraw/zinc/28/39/39/419283939.db2.gz FCPIXRGAJFVKJT-UHFFFAOYSA-N 2 2 294.402 3.299 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690379 419286977 /nfs/dbraw/zinc/28/69/77/419286977.db2.gz QBMUVBBZAWVGAU-HOTGVXAUSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690379 419286978 /nfs/dbraw/zinc/28/69/78/419286978.db2.gz QBMUVBBZAWVGAU-HOTGVXAUSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690379 419286981 /nfs/dbraw/zinc/28/69/81/419286981.db2.gz QBMUVBBZAWVGAU-HOTGVXAUSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690379 419286983 /nfs/dbraw/zinc/28/69/83/419286983.db2.gz QBMUVBBZAWVGAU-HOTGVXAUSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@@H](OCC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657501519 419295480 /nfs/dbraw/zinc/29/54/80/419295480.db2.gz XATQXWOYWUWOEM-QGZVFWFLSA-N 2 2 299.418 3.087 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC13CCCCC3)CCC2 ZINC000657536820 419301491 /nfs/dbraw/zinc/30/14/91/419301491.db2.gz QCSDWXZYQROVIW-HNNXBMFYSA-N 2 2 273.424 3.422 20 0 CGADLP Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000657397197 419270505 /nfs/dbraw/zinc/27/05/05/419270505.db2.gz SPWLWUPRDORDAG-ZDUSSCGKSA-N 2 2 295.390 3.063 20 0 CGADLP Cc1cccn2c(C[NH2+]CCCC3CCC3)c[nH+]c12 ZINC000657666984 419323740 /nfs/dbraw/zinc/32/37/40/419323740.db2.gz PGZKAOGVGFMCCF-UHFFFAOYSA-N 2 2 257.381 3.313 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CCCC3CCC3)CC2)nc1 ZINC000657667946 419324240 /nfs/dbraw/zinc/32/42/40/419324240.db2.gz UYMSMAVTGXPEOJ-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@@]3(C)CC3(F)F)n2c1 ZINC000657671654 419326165 /nfs/dbraw/zinc/32/61/65/419326165.db2.gz WWDCCSMSCLJBAI-AWEZNQCLSA-N 2 2 279.334 3.168 20 0 CGADLP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000418100256 228049705 /nfs/dbraw/zinc/04/97/05/228049705.db2.gz OFIPNBROTUTIQQ-AWEZNQCLSA-N 2 2 293.436 3.085 20 0 CGADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000657659910 419321299 /nfs/dbraw/zinc/32/12/99/419321299.db2.gz AZENYJXGAMACTO-UHFFFAOYSA-N 2 2 296.201 3.426 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000657741054 419334368 /nfs/dbraw/zinc/33/43/68/419334368.db2.gz ATJKZPMBHDAKIF-XGACYXMMSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000657741054 419334370 /nfs/dbraw/zinc/33/43/70/419334370.db2.gz ATJKZPMBHDAKIF-XGACYXMMSA-N 2 2 280.362 3.052 20 0 CGADLP CCOc1ccc(NCc2c[nH+]c3ccccn23)[nH+]c1C ZINC000657793725 419355605 /nfs/dbraw/zinc/35/56/05/419355605.db2.gz ZOBHUYDLJWCDSS-UHFFFAOYSA-N 2 2 282.347 3.049 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887174 419406634 /nfs/dbraw/zinc/40/66/34/419406634.db2.gz FMMKYPCHJAAWCS-GVXVVHGQSA-N 2 2 283.366 3.153 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887174 419406637 /nfs/dbraw/zinc/40/66/37/419406637.db2.gz FMMKYPCHJAAWCS-GVXVVHGQSA-N 2 2 283.366 3.153 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657835103 419379894 /nfs/dbraw/zinc/37/98/94/419379894.db2.gz SOOFTHORMTVGFQ-NEPJUHHUSA-N 2 2 286.404 3.232 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1Oc1ccccc1 ZINC000662306201 419387054 /nfs/dbraw/zinc/38/70/54/419387054.db2.gz PDBGBKKKPQAHDM-UHFFFAOYSA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1Oc1ccccc1 ZINC000662306201 419387056 /nfs/dbraw/zinc/38/70/56/419387056.db2.gz PDBGBKKKPQAHDM-UHFFFAOYSA-N 2 2 294.398 3.402 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccncc2s1 ZINC000657983111 419477052 /nfs/dbraw/zinc/47/70/52/419477052.db2.gz ZPLXWLBXGQPCOO-AAEUAGOBSA-N 2 2 298.415 3.158 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)o1 ZINC000658054278 419523738 /nfs/dbraw/zinc/52/37/38/419523738.db2.gz CVKFPAFDPRHGNE-GXTWGEPZSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)o1 ZINC000658054278 419523744 /nfs/dbraw/zinc/52/37/44/419523744.db2.gz CVKFPAFDPRHGNE-GXTWGEPZSA-N 2 2 264.413 3.420 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060337 419530632 /nfs/dbraw/zinc/53/06/32/419530632.db2.gz YVXPIGJDJNZOSV-GDBMZVCRSA-N 2 2 293.430 3.380 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060337 419530638 /nfs/dbraw/zinc/53/06/38/419530638.db2.gz YVXPIGJDJNZOSV-GDBMZVCRSA-N 2 2 293.430 3.380 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000663326807 419559311 /nfs/dbraw/zinc/55/93/11/419559311.db2.gz VPLNSABJSHRUNU-HNNXBMFYSA-N 2 2 269.392 3.180 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000663326807 419559318 /nfs/dbraw/zinc/55/93/18/419559318.db2.gz VPLNSABJSHRUNU-HNNXBMFYSA-N 2 2 269.392 3.180 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090395 419563496 /nfs/dbraw/zinc/56/34/96/419563496.db2.gz HCCKDEDXODEZSS-WMLDXEAASA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090395 419563500 /nfs/dbraw/zinc/56/35/00/419563500.db2.gz HCCKDEDXODEZSS-WMLDXEAASA-N 2 2 272.436 3.445 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093184 419570379 /nfs/dbraw/zinc/57/03/79/419570379.db2.gz TYMSJDDTUVTKPI-XJKSGUPXSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093184 419570391 /nfs/dbraw/zinc/57/03/91/419570391.db2.gz TYMSJDDTUVTKPI-XJKSGUPXSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096041 419572858 /nfs/dbraw/zinc/57/28/58/419572858.db2.gz NGOLVPLFYOQYPF-DOTOQJQBSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096041 419572865 /nfs/dbraw/zinc/57/28/65/419572865.db2.gz NGOLVPLFYOQYPF-DOTOQJQBSA-N 2 2 289.467 3.255 20 0 CGADLP CC(C)C[C@@H](CNc1[nH+]ccc2c(N)cccc21)[NH+](C)C ZINC000663379930 419582354 /nfs/dbraw/zinc/58/23/54/419582354.db2.gz PEVHNUQJPUBLGA-ZDUSSCGKSA-N 2 2 286.423 3.205 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663466518 419621891 /nfs/dbraw/zinc/62/18/91/419621891.db2.gz UYZDFPFYECXCQC-DOMZBBRYSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466518 419621898 /nfs/dbraw/zinc/62/18/98/419621898.db2.gz UYZDFPFYECXCQC-DOMZBBRYSA-N 2 2 293.480 3.224 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000658241114 419697082 /nfs/dbraw/zinc/69/70/82/419697082.db2.gz KGXSZVQJWYQSLB-HUUCEWRRSA-N 2 2 280.481 3.389 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000663508145 419641840 /nfs/dbraw/zinc/64/18/40/419641840.db2.gz KKINFZFITHDTPR-HNNXBMFYSA-N 2 2 268.404 3.360 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000658286951 419733691 /nfs/dbraw/zinc/73/36/91/419733691.db2.gz WQJRLRIDRUDIQU-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000658286951 419733699 /nfs/dbraw/zinc/73/36/99/419733699.db2.gz WQJRLRIDRUDIQU-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294240 419743079 /nfs/dbraw/zinc/74/30/79/419743079.db2.gz GSQCDRWZGVJSQJ-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221830640 262301380 /nfs/dbraw/zinc/30/13/80/262301380.db2.gz ASOVYEWNSIEREN-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221830640 262301382 /nfs/dbraw/zinc/30/13/82/262301382.db2.gz ASOVYEWNSIEREN-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000521423190 262326025 /nfs/dbraw/zinc/32/60/25/262326025.db2.gz ZKCWAIMTFJLWRC-SNVBAGLBSA-N 2 2 258.768 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000290483047 263117137 /nfs/dbraw/zinc/11/71/37/263117137.db2.gz VLXLOJVZEIPEOP-QFBILLFUSA-N 2 2 298.430 3.424 20 0 CGADLP CCCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353316 270035497 /nfs/dbraw/zinc/03/54/97/270035497.db2.gz ZMYLICLOTPWUFJ-UHFFFAOYSA-N 2 2 287.407 3.242 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683805 270037255 /nfs/dbraw/zinc/03/72/55/270037255.db2.gz GDTDSSMWUINODP-INIZCTEOSA-N 2 2 272.436 3.310 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683805 270037257 /nfs/dbraw/zinc/03/72/57/270037257.db2.gz GDTDSSMWUINODP-INIZCTEOSA-N 2 2 272.436 3.310 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccs1 ZINC000045105691 270038002 /nfs/dbraw/zinc/03/80/02/270038002.db2.gz JVHHZDOPUYYWTB-CYBMUJFWSA-N 2 2 263.410 3.466 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094582 270038186 /nfs/dbraw/zinc/03/81/86/270038186.db2.gz UZITUIWEKVIQDL-HNNXBMFYSA-N 2 2 287.407 3.331 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000186215144 270065239 /nfs/dbraw/zinc/06/52/39/270065239.db2.gz FWPPKHNCLFOPIL-ZDUSSCGKSA-N 2 2 281.469 3.403 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000190946500 270074332 /nfs/dbraw/zinc/07/43/32/270074332.db2.gz MHMNEMZQARRGFI-AWEZNQCLSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000190946500 270074333 /nfs/dbraw/zinc/07/43/33/270074333.db2.gz MHMNEMZQARRGFI-AWEZNQCLSA-N 2 2 298.352 3.340 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928165 265640003 /nfs/dbraw/zinc/64/00/03/265640003.db2.gz MHPDLPBMXYXIIS-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814314 270080040 /nfs/dbraw/zinc/08/00/40/270080040.db2.gz IOESZVCFCKXOGJ-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000290490811 270091609 /nfs/dbraw/zinc/09/16/09/270091609.db2.gz JDDHRYGDODPMRD-LBPRGKRZSA-N 2 2 284.338 3.379 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)co2)cc1 ZINC000521225574 270101238 /nfs/dbraw/zinc/10/12/38/270101238.db2.gz CYUPRLOBTOESDS-PBHICJAKSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527098586 270125013 /nfs/dbraw/zinc/12/50/13/270125013.db2.gz DPVUBAOCKRXUBT-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527098586 270125014 /nfs/dbraw/zinc/12/50/14/270125014.db2.gz DPVUBAOCKRXUBT-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)c[nH+]1 ZINC000525985549 270121922 /nfs/dbraw/zinc/12/19/22/270121922.db2.gz BNTPVMPSQKYNIJ-HNNXBMFYSA-N 2 2 286.423 3.451 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000526085598 270122733 /nfs/dbraw/zinc/12/27/33/270122733.db2.gz CRCBHACVFAIGFS-FRRDWIJNSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000526085598 270122734 /nfs/dbraw/zinc/12/27/34/270122734.db2.gz CRCBHACVFAIGFS-FRRDWIJNSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527636657 270130155 /nfs/dbraw/zinc/13/01/55/270130155.db2.gz PNOBRRGQQQRAMO-CCKFTAQKSA-N 2 2 295.430 3.456 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)n1-c1ccccc1 ZINC000527803281 270136798 /nfs/dbraw/zinc/13/67/98/270136798.db2.gz WQDUETPCBLOUQC-MSOLQXFVSA-N 2 2 299.418 3.226 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC1(C)C ZINC000527809739 270137574 /nfs/dbraw/zinc/13/75/74/270137574.db2.gz MYZBJIVIJHRHCL-NWANDNLSSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CC1(C)C ZINC000527809739 270137575 /nfs/dbraw/zinc/13/75/75/270137575.db2.gz MYZBJIVIJHRHCL-NWANDNLSSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc2c(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccnc2c1 ZINC000527810037 270137612 /nfs/dbraw/zinc/13/76/12/270137612.db2.gz TXXGILSFEREKOW-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccnc2c1 ZINC000527810037 270137613 /nfs/dbraw/zinc/13/76/13/270137613.db2.gz TXXGILSFEREKOW-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527846337 270139419 /nfs/dbraw/zinc/13/94/19/270139419.db2.gz KYUUFUSIUHRMFQ-PBHICJAKSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527850855 270139695 /nfs/dbraw/zinc/13/96/95/270139695.db2.gz LPSDDFBCUAANTG-HIFRSBDPSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CC12CC2 ZINC000527857171 270140105 /nfs/dbraw/zinc/14/01/05/270140105.db2.gz GPKSAQLEQQCNCD-IHRRRGAJSA-N 2 2 287.451 3.274 20 0 CGADLP C[NH+]1CCC([C@H]2CCN(c3[nH+]ccc4ccccc43)C2)CC1 ZINC000527939953 270145771 /nfs/dbraw/zinc/14/57/71/270145771.db2.gz VGAJRENHPVHTNE-KRWDZBQOSA-N 2 2 295.430 3.403 20 0 CGADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954151 270146815 /nfs/dbraw/zinc/14/68/15/270146815.db2.gz YTVYZROEWWQBTA-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527954151 270146816 /nfs/dbraw/zinc/14/68/16/270146816.db2.gz YTVYZROEWWQBTA-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527998445 270149798 /nfs/dbraw/zinc/14/97/98/270149798.db2.gz DDNYSTZIEXVZBN-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527998445 270149799 /nfs/dbraw/zinc/14/97/99/270149799.db2.gz DDNYSTZIEXVZBN-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002379 270150208 /nfs/dbraw/zinc/15/02/08/270150208.db2.gz QBOHZDDNDLTBHL-PBHICJAKSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002379 270150209 /nfs/dbraw/zinc/15/02/09/270150209.db2.gz QBOHZDDNDLTBHL-PBHICJAKSA-N 2 2 290.426 3.363 20 0 CGADLP CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528777066 270173360 /nfs/dbraw/zinc/17/33/60/270173360.db2.gz XNOZHDAKAOEDOI-MRXNPFEDSA-N 2 2 287.382 3.290 20 0 CGADLP CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528777066 270173361 /nfs/dbraw/zinc/17/33/61/270173361.db2.gz XNOZHDAKAOEDOI-MRXNPFEDSA-N 2 2 287.382 3.290 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000529637451 270186623 /nfs/dbraw/zinc/18/66/23/270186623.db2.gz ADQVOBMVSOTPEZ-ZACQAIPSSA-N 2 2 258.409 3.348 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530225212 270196453 /nfs/dbraw/zinc/19/64/53/270196453.db2.gz XFQIVJJRGMDAIY-HZPDHXFCSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)s1 ZINC000530216583 270195700 /nfs/dbraw/zinc/19/57/00/270195700.db2.gz BRYCVUHHILCBAH-KOLCDFICSA-N 2 2 270.829 3.337 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530225211 270196741 /nfs/dbraw/zinc/19/67/41/270196741.db2.gz XFQIVJJRGMDAIY-HOTGVXAUSA-N 2 2 274.408 3.021 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000531939721 270210816 /nfs/dbraw/zinc/21/08/16/270210816.db2.gz WXLSKJGDVQCCKY-RDJZCZTQSA-N 2 2 262.441 3.328 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000531692817 270209033 /nfs/dbraw/zinc/20/90/33/270209033.db2.gz ILVNHNXSVOGNIT-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000531948357 270211493 /nfs/dbraw/zinc/21/14/93/270211493.db2.gz NXQPNQSLEDVWJF-TZMCWYRMSA-N 2 2 296.842 3.484 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000531948357 270211494 /nfs/dbraw/zinc/21/14/94/270211494.db2.gz NXQPNQSLEDVWJF-TZMCWYRMSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000531992274 270212184 /nfs/dbraw/zinc/21/21/84/270212184.db2.gz OAJSWCISLXBZGR-JEBQAFNWSA-N 2 2 284.447 3.481 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000531992274 270212185 /nfs/dbraw/zinc/21/21/85/270212185.db2.gz OAJSWCISLXBZGR-JEBQAFNWSA-N 2 2 284.447 3.481 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000531983580 270212445 /nfs/dbraw/zinc/21/24/45/270212445.db2.gz VTPKKLKFKVIINP-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1C ZINC000531983580 270212446 /nfs/dbraw/zinc/21/24/46/270212446.db2.gz VTPKKLKFKVIINP-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000532231021 270214503 /nfs/dbraw/zinc/21/45/03/270214503.db2.gz DUOMNABBGQYYAN-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530306 270216931 /nfs/dbraw/zinc/21/69/31/270216931.db2.gz XEMSKBZEXZWHEG-CVEARBPZSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530306 270216932 /nfs/dbraw/zinc/21/69/32/270216932.db2.gz XEMSKBZEXZWHEG-CVEARBPZSA-N 2 2 274.452 3.284 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000532530248 270217031 /nfs/dbraw/zinc/21/70/31/270217031.db2.gz LXVFYIDJFGFZKJ-WMLDXEAASA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000532530248 270217032 /nfs/dbraw/zinc/21/70/32/270217032.db2.gz LXVFYIDJFGFZKJ-WMLDXEAASA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423461650 273750237 /nfs/dbraw/zinc/75/02/37/273750237.db2.gz JZZFNKRGVKJSJA-ATZCPNFKSA-N 2 2 256.440 3.000 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302046651 274213219 /nfs/dbraw/zinc/21/32/19/274213219.db2.gz YIHQOTFCPAZEMQ-AWEZNQCLSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302046651 274213220 /nfs/dbraw/zinc/21/32/20/274213220.db2.gz YIHQOTFCPAZEMQ-AWEZNQCLSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256716 274240886 /nfs/dbraw/zinc/24/08/86/274240886.db2.gz XKTKCNYGQLAVNW-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256716 274240889 /nfs/dbraw/zinc/24/08/89/274240889.db2.gz XKTKCNYGQLAVNW-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000042858633 274552965 /nfs/dbraw/zinc/55/29/65/274552965.db2.gz UFYZIWAQULLRAN-JKSUJKDBSA-N 2 2 287.451 3.466 20 0 CGADLP Cc1ccc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000423034338 274754526 /nfs/dbraw/zinc/75/45/26/274754526.db2.gz XKWWZQAFNKRKIZ-WMZOPIPTSA-N 2 2 295.386 3.058 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427845993 287794828 /nfs/dbraw/zinc/79/48/28/287794828.db2.gz GFIILRDCPMQLGS-KEYYUXOJSA-N 2 2 281.403 3.426 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423185431 275069268 /nfs/dbraw/zinc/06/92/68/275069268.db2.gz JJSVQDDWDHGALB-ZDUSSCGKSA-N 2 2 264.372 3.098 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427865289 275911128 /nfs/dbraw/zinc/91/11/28/275911128.db2.gz NCAGVULDSOAMRT-RRFJBIMHSA-N 2 2 263.429 3.248 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423306300 276017574 /nfs/dbraw/zinc/01/75/74/276017574.db2.gz DHPXCSJFVLAGAK-MRXNPFEDSA-N 2 2 276.424 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000248512758 276175528 /nfs/dbraw/zinc/17/55/28/276175528.db2.gz BXPGDCFOYSWAMY-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000248512758 276175529 /nfs/dbraw/zinc/17/55/29/276175529.db2.gz BXPGDCFOYSWAMY-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163207007 276187235 /nfs/dbraw/zinc/18/72/35/276187235.db2.gz UGRDVCQAICGWRP-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163207007 276187236 /nfs/dbraw/zinc/18/72/36/276187236.db2.gz UGRDVCQAICGWRP-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427854603 276284941 /nfs/dbraw/zinc/28/49/41/276284941.db2.gz QSOHJCABIQSWAJ-IAGOWNOFSA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422845650 276534980 /nfs/dbraw/zinc/53/49/80/276534980.db2.gz OMMHGGPLLGUMKW-ILXRZTDVSA-N 2 2 294.439 3.483 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2COC(C)(C)C2)[NH+](C)C)cc1 ZINC000417840653 276672670 /nfs/dbraw/zinc/67/26/70/276672670.db2.gz LJXOTBXGTWQXDH-IRXDYDNUSA-N 2 2 290.451 3.009 20 0 CGADLP C[NH2+]CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000423247800 277025056 /nfs/dbraw/zinc/02/50/56/277025056.db2.gz PUSYAXSHRVCAMT-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343108617 277081837 /nfs/dbraw/zinc/08/18/37/277081837.db2.gz MLIHYAAAADRPGZ-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343108617 277081839 /nfs/dbraw/zinc/08/18/39/277081839.db2.gz MLIHYAAAADRPGZ-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000167886142 277262183 /nfs/dbraw/zinc/26/21/83/277262183.db2.gz INCBNOQCTYJDMP-YOEHRIQHSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000449062590 277956995 /nfs/dbraw/zinc/95/69/95/277956995.db2.gz YTPDXXNUCLLVNQ-HYVNUMGLSA-N 2 2 290.476 3.165 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCCC12CCC2 ZINC000394765486 288003899 /nfs/dbraw/zinc/00/38/99/288003899.db2.gz IMFSZAAMOMMAJG-HNNXBMFYSA-N 2 2 250.430 3.175 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178896 288006790 /nfs/dbraw/zinc/00/67/90/288006790.db2.gz MDMAPIWQQWLCHU-YOEHRIQHSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178896 288006793 /nfs/dbraw/zinc/00/67/93/288006793.db2.gz MDMAPIWQQWLCHU-YOEHRIQHSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000447577114 278225015 /nfs/dbraw/zinc/22/50/15/278225015.db2.gz FQUHUWDVMIWYOL-KEYYUXOJSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000447577114 278225016 /nfs/dbraw/zinc/22/50/16/278225016.db2.gz FQUHUWDVMIWYOL-KEYYUXOJSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000423503653 278279320 /nfs/dbraw/zinc/27/93/20/278279320.db2.gz GAKRVZUFCUOINJ-LKFCYVNXSA-N 2 2 286.341 3.272 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397788717 288030676 /nfs/dbraw/zinc/03/06/76/288030676.db2.gz REKUTTYFSHOMFL-GFCCVEGCSA-N 2 2 264.438 3.153 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397872988 288033533 /nfs/dbraw/zinc/03/35/33/288033533.db2.gz ISYBWTVHGSMWCW-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397872988 288033534 /nfs/dbraw/zinc/03/35/34/288033534.db2.gz ISYBWTVHGSMWCW-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000397890113 288033937 /nfs/dbraw/zinc/03/39/37/288033937.db2.gz LQQCZTBKKHRYGI-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397945780 288035769 /nfs/dbraw/zinc/03/57/69/288035769.db2.gz LWLAIGJBGRFXKF-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397945780 288035770 /nfs/dbraw/zinc/03/57/70/288035770.db2.gz LWLAIGJBGRFXKF-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335630 278387929 /nfs/dbraw/zinc/38/79/29/278387929.db2.gz LUBOKZMDBVONIK-MQYQWHSLSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335630 278387930 /nfs/dbraw/zinc/38/79/30/278387930.db2.gz LUBOKZMDBVONIK-MQYQWHSLSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414160248 288045006 /nfs/dbraw/zinc/04/50/06/288045006.db2.gz ZJNAGAHPFVBQOT-OEAJRASXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414160248 288045007 /nfs/dbraw/zinc/04/50/07/288045007.db2.gz ZJNAGAHPFVBQOT-OEAJRASXSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1C(F)(F)F ZINC000414249049 533690887 /nfs/dbraw/zinc/69/08/87/533690887.db2.gz GIUCHWXQNGSLNR-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000447309818 288071721 /nfs/dbraw/zinc/07/17/21/288071721.db2.gz RKTPIKQWCIUNPP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000447309818 288071723 /nfs/dbraw/zinc/07/17/23/288071723.db2.gz RKTPIKQWCIUNPP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000447309818 288071727 /nfs/dbraw/zinc/07/17/27/288071727.db2.gz RKTPIKQWCIUNPP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000447309818 288071730 /nfs/dbraw/zinc/07/17/30/288071730.db2.gz RKTPIKQWCIUNPP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1OC(F)F ZINC000423369751 288072881 /nfs/dbraw/zinc/07/28/81/288072881.db2.gz TUZYFEUAZTWZGQ-FPMFFAJLSA-N 2 2 298.377 3.327 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744744 288089955 /nfs/dbraw/zinc/08/99/55/288089955.db2.gz VQTLRGKTSWUUSD-ZBFHGGJFSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744744 288089958 /nfs/dbraw/zinc/08/99/58/288089958.db2.gz VQTLRGKTSWUUSD-ZBFHGGJFSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CC2)CC1 ZINC000488449783 278974564 /nfs/dbraw/zinc/97/45/64/278974564.db2.gz OYJUKWRQTZNINM-HNNXBMFYSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CCC[N@@H+]1C ZINC000342739874 279093485 /nfs/dbraw/zinc/09/34/85/279093485.db2.gz PPXQWICSRSSGIV-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CCC[N@H+]1C ZINC000342739874 279093487 /nfs/dbraw/zinc/09/34/87/279093487.db2.gz PPXQWICSRSSGIV-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346349446 279125873 /nfs/dbraw/zinc/12/58/73/279125873.db2.gz ZTQATRDVAQCFEM-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@H+]1C ZINC000346349446 279125874 /nfs/dbraw/zinc/12/58/74/279125874.db2.gz ZTQATRDVAQCFEM-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000217509320 279206092 /nfs/dbraw/zinc/20/60/92/279206092.db2.gz SHWAAAPUSVHJNJ-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000217509320 279206093 /nfs/dbraw/zinc/20/60/93/279206093.db2.gz SHWAAAPUSVHJNJ-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC000300404575 279207076 /nfs/dbraw/zinc/20/70/76/279207076.db2.gz DECQUDSIXZREPO-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC000300404575 279207078 /nfs/dbraw/zinc/20/70/78/279207078.db2.gz DECQUDSIXZREPO-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000359969099 279254041 /nfs/dbraw/zinc/25/40/41/279254041.db2.gz FTIVSJFDPWYUHC-IJLUTSLNSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000359969099 279254043 /nfs/dbraw/zinc/25/40/43/279254043.db2.gz FTIVSJFDPWYUHC-IJLUTSLNSA-N 2 2 266.351 3.180 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000247980462 279336794 /nfs/dbraw/zinc/33/67/94/279336794.db2.gz MHVRYPLFEQUWSZ-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000247980462 279336797 /nfs/dbraw/zinc/33/67/97/279336797.db2.gz MHVRYPLFEQUWSZ-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340443305 288124002 /nfs/dbraw/zinc/12/40/02/288124002.db2.gz GAPNBDSIEABRLW-OAOYMFHYSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@@H]1c1ccccc1 ZINC000340443305 288124003 /nfs/dbraw/zinc/12/40/03/288124003.db2.gz GAPNBDSIEABRLW-OAOYMFHYSA-N 2 2 284.447 3.253 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000516748796 288129376 /nfs/dbraw/zinc/12/93/76/288129376.db2.gz KOTXQHHGOLPTJC-INIZCTEOSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423545846 279504338 /nfs/dbraw/zinc/50/43/38/279504338.db2.gz DUIQECFNBZVBKK-SMDDNHRTSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000149329868 279749525 /nfs/dbraw/zinc/74/95/25/279749525.db2.gz JDPYIWCBCLJYCB-XJKSGUPXSA-N 2 2 255.365 3.111 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633202 288178809 /nfs/dbraw/zinc/17/88/09/288178809.db2.gz TXAFWTSJFWORDA-VLQPXKRTSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633202 288178811 /nfs/dbraw/zinc/17/88/11/288178811.db2.gz TXAFWTSJFWORDA-VLQPXKRTSA-N 2 2 284.447 3.285 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423269085 280273810 /nfs/dbraw/zinc/27/38/10/280273810.db2.gz GZYRXCLBZZENDU-TZMCWYRMSA-N 2 2 260.381 3.375 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000462690827 280287211 /nfs/dbraw/zinc/28/72/11/280287211.db2.gz YHWVMKFOUXYRBA-BZUAXINKSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000462690827 280287214 /nfs/dbraw/zinc/28/72/14/280287214.db2.gz YHWVMKFOUXYRBA-BZUAXINKSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423183829 280332903 /nfs/dbraw/zinc/33/29/03/280332903.db2.gz HWYDULKIWQKWJU-DOMZBBRYSA-N 2 2 268.351 3.004 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CCC2 ZINC000423556906 281097072 /nfs/dbraw/zinc/09/70/72/281097072.db2.gz NAFCEVDLHUTVNL-RDJZCZTQSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152745882 281272496 /nfs/dbraw/zinc/27/24/96/281272496.db2.gz YRFGMAJLWUNDDK-GOSISDBHSA-N 2 2 295.430 3.347 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000443013730 281389171 /nfs/dbraw/zinc/38/91/71/281389171.db2.gz MIDYRIYHKXFKJY-BQFCYCMXSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728968 288344990 /nfs/dbraw/zinc/34/49/90/288344990.db2.gz VARXFAWJECFODV-WMLDXEAASA-N 2 2 272.436 3.340 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728968 288344992 /nfs/dbraw/zinc/34/49/92/288344992.db2.gz VARXFAWJECFODV-WMLDXEAASA-N 2 2 272.436 3.340 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000532239077 288357156 /nfs/dbraw/zinc/35/71/56/288357156.db2.gz LTQYHTHYMAVRPE-RHSMWYFYSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000532239077 288357157 /nfs/dbraw/zinc/35/71/57/288357157.db2.gz LTQYHTHYMAVRPE-RHSMWYFYSA-N 2 2 276.424 3.078 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532540726 288366308 /nfs/dbraw/zinc/36/63/08/288366308.db2.gz XVLHIUZCRUACFT-YCPHGPKFSA-N 2 2 250.430 3.194 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532540726 288366310 /nfs/dbraw/zinc/36/63/10/288366310.db2.gz XVLHIUZCRUACFT-YCPHGPKFSA-N 2 2 250.430 3.194 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535913032 288468508 /nfs/dbraw/zinc/46/85/08/288468508.db2.gz FULKEPGQDVLKRL-OAHLLOKOSA-N 2 2 292.386 3.271 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cn2ccccc2n1 ZINC000550898580 289090383 /nfs/dbraw/zinc/09/03/83/289090383.db2.gz GXXKKCKPSQNYDY-QQFBHYJXSA-N 2 2 298.434 3.002 20 0 CGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000551269191 289106424 /nfs/dbraw/zinc/10/64/24/289106424.db2.gz YBGULOSMEAEJJV-UHFFFAOYSA-N 2 2 299.418 3.298 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000552340386 289182613 /nfs/dbraw/zinc/18/26/13/289182613.db2.gz TUAOMPFPPOQKDV-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000552340386 289182615 /nfs/dbraw/zinc/18/26/15/289182615.db2.gz TUAOMPFPPOQKDV-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@@H+]1C1CC1 ZINC000552568526 289193217 /nfs/dbraw/zinc/19/32/17/289193217.db2.gz OYMOISSNSUJIET-SMDDNHRTSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@H+]1C1CC1 ZINC000552568526 289193218 /nfs/dbraw/zinc/19/32/18/289193218.db2.gz OYMOISSNSUJIET-SMDDNHRTSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643827 289355635 /nfs/dbraw/zinc/35/56/35/289355635.db2.gz HRTZAUPNLKQPRI-WFGGJUAMSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643827 289355639 /nfs/dbraw/zinc/35/56/39/289355639.db2.gz HRTZAUPNLKQPRI-WFGGJUAMSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Cc1ccccc1 ZINC000556044922 289367950 /nfs/dbraw/zinc/36/79/50/289367950.db2.gz BESCQSRKOUPVQM-VQIMIIECSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Cc1ccccc1 ZINC000556044922 289367951 /nfs/dbraw/zinc/36/79/51/289367951.db2.gz BESCQSRKOUPVQM-VQIMIIECSA-N 2 2 286.463 3.472 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000556585698 289398827 /nfs/dbraw/zinc/39/88/27/289398827.db2.gz HSQATKPWKXBVEP-CQSZACIVSA-N 2 2 282.497 3.126 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OC)c1 ZINC000556609315 289400757 /nfs/dbraw/zinc/40/07/57/289400757.db2.gz OQYMMEPTSKDVCT-QGZVFWFLSA-N 2 2 299.418 3.469 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000558835253 289523243 /nfs/dbraw/zinc/52/32/43/289523243.db2.gz OOUKTZVURNOXKF-UHFFFAOYSA-N 2 2 267.376 3.213 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000562061543 289672487 /nfs/dbraw/zinc/67/24/87/289672487.db2.gz BSVRYWANZSKDKT-CWLKWCNXSA-N 2 2 274.452 3.499 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422992102 290000718 /nfs/dbraw/zinc/00/07/18/290000718.db2.gz QRMIBFFSLVBMNG-APHBMKBZSA-N 2 2 258.409 3.139 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000285687733 292793578 /nfs/dbraw/zinc/79/35/78/292793578.db2.gz OHNNBFFXTGCLJM-MRXNPFEDSA-N 2 2 275.440 3.163 20 0 CGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000422765871 292829854 /nfs/dbraw/zinc/82/98/54/292829854.db2.gz PMYVTDQLTWBAIT-HOTGVXAUSA-N 2 2 286.444 3.292 20 0 CGADLP COC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000128120946 292838458 /nfs/dbraw/zinc/83/84/58/292838458.db2.gz KRBQTAKUGURZOU-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1nc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cs1 ZINC000249469466 293370545 /nfs/dbraw/zinc/37/05/45/293370545.db2.gz RPABDYQJMWYDHD-HIFRSBDPSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000249469466 293370547 /nfs/dbraw/zinc/37/05/47/293370547.db2.gz RPABDYQJMWYDHD-HIFRSBDPSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cs1 ZINC000249469466 293370550 /nfs/dbraw/zinc/37/05/50/293370550.db2.gz RPABDYQJMWYDHD-HIFRSBDPSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cs1 ZINC000249469466 293370553 /nfs/dbraw/zinc/37/05/53/293370553.db2.gz RPABDYQJMWYDHD-HIFRSBDPSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352724417 302180501 /nfs/dbraw/zinc/18/05/01/302180501.db2.gz QOAJYTVAKVPOMN-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352724417 302180504 /nfs/dbraw/zinc/18/05/04/302180504.db2.gz QOAJYTVAKVPOMN-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000563267959 321986883 /nfs/dbraw/zinc/98/68/83/321986883.db2.gz HBGCSWOYLHJVOW-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000563670122 322006034 /nfs/dbraw/zinc/00/60/34/322006034.db2.gz GXRDMJKMEHEODX-XDNAFOTISA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000563670122 322006037 /nfs/dbraw/zinc/00/60/37/322006037.db2.gz GXRDMJKMEHEODX-XDNAFOTISA-N 2 2 294.483 3.188 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159546 322063425 /nfs/dbraw/zinc/06/34/25/322063425.db2.gz ZMKARLAUSIDKLN-OLZOCXBDSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159546 322063427 /nfs/dbraw/zinc/06/34/27/322063427.db2.gz ZMKARLAUSIDKLN-OLZOCXBDSA-N 2 2 283.366 3.035 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC(C)(C)C2)Cc2ccccc2C1 ZINC000565590389 322083276 /nfs/dbraw/zinc/08/32/76/322083276.db2.gz DYHQOUVUOVKFPS-QGZVFWFLSA-N 2 2 286.463 3.254 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000566415018 322121056 /nfs/dbraw/zinc/12/10/56/322121056.db2.gz VVMLDVDDUYLOCG-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000566415018 322121058 /nfs/dbraw/zinc/12/10/58/322121058.db2.gz VVMLDVDDUYLOCG-OAHLLOKOSA-N 2 2 293.480 3.210 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000566996479 322145870 /nfs/dbraw/zinc/14/58/70/322145870.db2.gz BQXRNFXYCKOERI-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000566996479 322145872 /nfs/dbraw/zinc/14/58/72/322145872.db2.gz BQXRNFXYCKOERI-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CC[NH2+]CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000567259603 322156743 /nfs/dbraw/zinc/15/67/43/322156743.db2.gz CKQYHAMALUPUOR-UHFFFAOYSA-N 3 2 297.531 3.255 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)n1C ZINC000569504763 322249186 /nfs/dbraw/zinc/24/91/86/322249186.db2.gz XWPZHUWUMRHAAU-BDJLRTHQSA-N 2 2 289.810 3.407 20 0 CGADLP Cc1cc(C)c(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)c1 ZINC000569540217 322249808 /nfs/dbraw/zinc/24/98/08/322249808.db2.gz XVRJFQKNYYTHLT-DLBZAZTESA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)c1 ZINC000569540217 322249809 /nfs/dbraw/zinc/24/98/09/322249809.db2.gz XVRJFQKNYYTHLT-DLBZAZTESA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)c1 ZINC000569540217 322249810 /nfs/dbraw/zinc/24/98/10/322249810.db2.gz XVRJFQKNYYTHLT-DLBZAZTESA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)c1 ZINC000569540217 322249812 /nfs/dbraw/zinc/24/98/12/322249812.db2.gz XVRJFQKNYYTHLT-DLBZAZTESA-N 2 2 272.436 3.280 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000570236819 322268491 /nfs/dbraw/zinc/26/84/91/322268491.db2.gz LBLCKUVBSJILOX-MELADBBJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000570236819 322268493 /nfs/dbraw/zinc/26/84/93/322268493.db2.gz LBLCKUVBSJILOX-MELADBBJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000570236819 322268494 /nfs/dbraw/zinc/26/84/94/322268494.db2.gz LBLCKUVBSJILOX-MELADBBJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000570236819 322268496 /nfs/dbraw/zinc/26/84/96/322268496.db2.gz LBLCKUVBSJILOX-MELADBBJSA-N 2 2 262.372 3.055 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000570271972 322269382 /nfs/dbraw/zinc/26/93/82/322269382.db2.gz YKTSNQNVBLKSNV-CJNGLKHVSA-N 2 2 260.425 3.288 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000570392845 322272489 /nfs/dbraw/zinc/27/24/89/322272489.db2.gz NVICLDCOLCLPLW-UHFFFAOYSA-N 2 2 296.349 3.481 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000570536132 322276216 /nfs/dbraw/zinc/27/62/16/322276216.db2.gz GSYNXODNYVLWCR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000570536132 322276217 /nfs/dbraw/zinc/27/62/17/322276217.db2.gz GSYNXODNYVLWCR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CCCc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)o1 ZINC000570562570 322276433 /nfs/dbraw/zinc/27/64/33/322276433.db2.gz YOHJJRPOZXDDAQ-RDJZCZTQSA-N 2 2 299.418 3.210 20 0 CGADLP CCCc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)o1 ZINC000570562571 322276478 /nfs/dbraw/zinc/27/64/78/322276478.db2.gz YOHJJRPOZXDDAQ-WBVHZDCISA-N 2 2 299.418 3.210 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571654355 322304503 /nfs/dbraw/zinc/30/45/03/322304503.db2.gz OXSQPCNAHZWVLS-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571654355 322304505 /nfs/dbraw/zinc/30/45/05/322304505.db2.gz OXSQPCNAHZWVLS-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571654355 322304507 /nfs/dbraw/zinc/30/45/07/322304507.db2.gz OXSQPCNAHZWVLS-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571654355 322304508 /nfs/dbraw/zinc/30/45/08/322304508.db2.gz OXSQPCNAHZWVLS-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000571862513 322309669 /nfs/dbraw/zinc/30/96/69/322309669.db2.gz GHEGHKVEQZWACN-HNNXBMFYSA-N 2 2 290.794 3.427 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000573621536 322397660 /nfs/dbraw/zinc/39/76/60/322397660.db2.gz CMWPGLAZCTXYFG-UHFFFAOYSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000573621536 322397663 /nfs/dbraw/zinc/39/76/63/322397663.db2.gz CMWPGLAZCTXYFG-UHFFFAOYSA-N 2 2 297.446 3.498 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000584270278 327205286 /nfs/dbraw/zinc/20/52/86/327205286.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000584270278 327205287 /nfs/dbraw/zinc/20/52/87/327205287.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000584270278 327205289 /nfs/dbraw/zinc/20/52/89/327205289.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000584270278 327205291 /nfs/dbraw/zinc/20/52/91/327205291.db2.gz FCDAZSZIFRIGAO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCC2 ZINC000583693602 329003745 /nfs/dbraw/zinc/00/37/45/329003745.db2.gz ZYRBTPOTQVDLAP-RHSMWYFYSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCC2 ZINC000583693602 329003747 /nfs/dbraw/zinc/00/37/47/329003747.db2.gz ZYRBTPOTQVDLAP-RHSMWYFYSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCC2 ZINC000583693601 329003756 /nfs/dbraw/zinc/00/37/56/329003756.db2.gz ZYRBTPOTQVDLAP-PBHICJAKSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCC2 ZINC000583693601 329003757 /nfs/dbraw/zinc/00/37/57/329003757.db2.gz ZYRBTPOTQVDLAP-PBHICJAKSA-N 2 2 290.476 3.470 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000582661569 329120761 /nfs/dbraw/zinc/12/07/61/329120761.db2.gz TWZVPQKCRRPYKF-QZTJIDSGSA-N 2 2 299.393 3.247 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397735369 329389716 /nfs/dbraw/zinc/38/97/16/329389716.db2.gz GPWXYDHSEXOUJC-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@@H+]1C ZINC000576310292 335188074 /nfs/dbraw/zinc/18/80/74/335188074.db2.gz BFYLKAJRCWRXMS-NEPJUHHUSA-N 2 2 295.390 3.006 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@H+]1C ZINC000576310292 335188076 /nfs/dbraw/zinc/18/80/76/335188076.db2.gz BFYLKAJRCWRXMS-NEPJUHHUSA-N 2 2 295.390 3.006 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000343072663 335189204 /nfs/dbraw/zinc/18/92/04/335189204.db2.gz QRIGSWZRBJNIMI-NVXWUHKLSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000343072663 335189205 /nfs/dbraw/zinc/18/92/05/335189205.db2.gz QRIGSWZRBJNIMI-NVXWUHKLSA-N 2 2 284.403 3.247 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000576924789 335264248 /nfs/dbraw/zinc/26/42/48/335264248.db2.gz GSEXGNRJTNRLDO-UHFFFAOYSA-N 2 2 267.442 3.018 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)n1C ZINC000580572041 335285924 /nfs/dbraw/zinc/28/59/24/335285924.db2.gz MDNBGHCWCZFKMI-CQSZACIVSA-N 2 2 291.395 3.194 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+](C)CCC[NH+](C)C ZINC000577304818 335337192 /nfs/dbraw/zinc/33/71/92/335337192.db2.gz AJUIHCIIWFHJMG-UHFFFAOYSA-N 2 2 286.419 3.232 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+](C)CCC[NH+](C)C ZINC000577304818 335337193 /nfs/dbraw/zinc/33/71/93/335337193.db2.gz AJUIHCIIWFHJMG-UHFFFAOYSA-N 2 2 286.419 3.232 20 0 CGADLP Cc1nsc(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000577343381 335340564 /nfs/dbraw/zinc/34/05/64/335340564.db2.gz VWHWSGHWYXVMLS-UHFFFAOYSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000581254612 336032735 /nfs/dbraw/zinc/03/27/35/336032735.db2.gz OFYUNKRAUISVFM-CABCVRRESA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000581254612 336032736 /nfs/dbraw/zinc/03/27/36/336032736.db2.gz OFYUNKRAUISVFM-CABCVRRESA-N 2 2 299.418 3.209 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000194842274 336039454 /nfs/dbraw/zinc/03/94/54/336039454.db2.gz AAWPLTRGZUPMJX-KRWDZBQOSA-N 2 2 288.435 3.148 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1C)C1CC1)C1CC1 ZINC000581444156 336078974 /nfs/dbraw/zinc/07/89/74/336078974.db2.gz IFURDNGDUROQMT-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1C)C1CC1)C1CC1 ZINC000581444156 336078975 /nfs/dbraw/zinc/07/89/75/336078975.db2.gz IFURDNGDUROQMT-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@@H]1C ZINC000382075984 336081384 /nfs/dbraw/zinc/08/13/84/336081384.db2.gz UHLNNSAUPQBBHJ-XHHISWJOSA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@@H]1C ZINC000382075984 336081385 /nfs/dbraw/zinc/08/13/85/336081385.db2.gz UHLNNSAUPQBBHJ-XHHISWJOSA-N 2 2 272.436 3.284 20 0 CGADLP CSCC1CCC([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000385515149 336150575 /nfs/dbraw/zinc/15/05/75/336150575.db2.gz HNNXXQPISAODJZ-GPANFISMSA-N 2 2 286.529 3.474 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1CCCC[NH2+]1 ZINC000386510852 336175864 /nfs/dbraw/zinc/17/58/64/336175864.db2.gz XCHVMNRHUXXYIT-IACUBPJLSA-N 2 2 264.438 3.246 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C3CC3)cc2F)n1C ZINC000581954557 336178719 /nfs/dbraw/zinc/17/87/19/336178719.db2.gz BQCDSWWUVOZQKZ-UHFFFAOYSA-N 2 2 273.355 3.035 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc(C)cc1 ZINC000581966817 336180922 /nfs/dbraw/zinc/18/09/22/336180922.db2.gz RROPZKRJIWPUES-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccc(C)cc1 ZINC000581966817 336180923 /nfs/dbraw/zinc/18/09/23/336180923.db2.gz RROPZKRJIWPUES-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(C)cc1 ZINC000581966817 336180924 /nfs/dbraw/zinc/18/09/24/336180924.db2.gz RROPZKRJIWPUES-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(C)cc1 ZINC000581966817 336180925 /nfs/dbraw/zinc/18/09/25/336180925.db2.gz RROPZKRJIWPUES-MOPGFXCFSA-N 2 2 286.463 3.486 20 0 CGADLP CC[C@H](COC)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386873168 336181245 /nfs/dbraw/zinc/18/12/45/336181245.db2.gz LAOBOKBMWJKYEK-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](COC)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386873168 336181247 /nfs/dbraw/zinc/18/12/47/336181247.db2.gz LAOBOKBMWJKYEK-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003060 336188987 /nfs/dbraw/zinc/18/89/87/336188987.db2.gz RMJOFHOLPBFECN-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003060 336188989 /nfs/dbraw/zinc/18/89/89/336188989.db2.gz RMJOFHOLPBFECN-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388206 336193305 /nfs/dbraw/zinc/19/33/05/336193305.db2.gz HXPFQHIDIKGRAO-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388206 336193307 /nfs/dbraw/zinc/19/33/07/336193307.db2.gz HXPFQHIDIKGRAO-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP COc1cc(C[N@@H+]2CC[NH+]3CCC2CC3)cc2ccccc21 ZINC000449325342 533810330 /nfs/dbraw/zinc/81/03/30/533810330.db2.gz LYFPLSBSGPHKDM-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP COc1cc(C[N@H+]2CC[NH+]3CCC2CC3)cc2ccccc21 ZINC000449325342 533810335 /nfs/dbraw/zinc/81/03/35/533810335.db2.gz LYFPLSBSGPHKDM-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423319010 533896592 /nfs/dbraw/zinc/89/65/92/533896592.db2.gz LIXKUDZQDWEXBV-RCOVLWMOSA-N 2 2 279.236 3.443 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1F ZINC000423231267 533896766 /nfs/dbraw/zinc/89/67/66/533896766.db2.gz APQLFJVEHOYTPO-NHYWBVRUSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085889 534205507 /nfs/dbraw/zinc/20/55/07/534205507.db2.gz NMVDDLUWYFHLON-CRAIPNDOSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085889 534205515 /nfs/dbraw/zinc/20/55/15/534205515.db2.gz NMVDDLUWYFHLON-CRAIPNDOSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000449076376 534260077 /nfs/dbraw/zinc/26/00/77/534260077.db2.gz PFUUBYXVUOZFHY-HNNXBMFYSA-N 2 2 295.386 3.245 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCC3)oc2c1 ZINC000423315898 534472108 /nfs/dbraw/zinc/47/21/08/534472108.db2.gz BFBGDNHZGJGBHK-GFCCVEGCSA-N 2 2 258.365 3.273 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+](C)[C@@H]3C)ccc2n1 ZINC000437773361 534469878 /nfs/dbraw/zinc/46/98/78/534469878.db2.gz JGXVJZQEHSAXTO-RHSMWYFYSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@@H]3C)ccc2n1 ZINC000437773361 534469886 /nfs/dbraw/zinc/46/98/86/534469886.db2.gz JGXVJZQEHSAXTO-RHSMWYFYSA-N 2 2 283.419 3.116 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423419227 534499481 /nfs/dbraw/zinc/49/94/81/534499481.db2.gz ILRNVWBDUOJXNL-OALUTQOASA-N 2 2 296.389 3.290 20 0 CGADLP Fc1cccc(C[NH+]2CCC([NH2+]Cc3ccoc3)CC2)c1 ZINC000359879082 534518786 /nfs/dbraw/zinc/51/87/86/534518786.db2.gz ZSJPSKPTNVZNFM-UHFFFAOYSA-N 2 2 288.366 3.173 20 0 CGADLP Fc1cccc2[nH]c(C[NH2+]CCCNc3cccc[nH+]3)cc21 ZINC000436306531 534528452 /nfs/dbraw/zinc/52/84/52/534528452.db2.gz PABJMMZTRYBUDT-UHFFFAOYSA-N 2 2 298.365 3.294 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cs1 ZINC000355054052 534542857 /nfs/dbraw/zinc/54/28/57/534542857.db2.gz CIGUWOBNFJTWKO-GFCCVEGCSA-N 2 2 281.469 3.224 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000151707338 522760690 /nfs/dbraw/zinc/76/06/90/522760690.db2.gz BQKRVFICRRUVTR-YOEHRIQHSA-N 2 2 287.407 3.194 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000449019223 534692708 /nfs/dbraw/zinc/69/27/08/534692708.db2.gz VXLRACSWQXXOBH-MRXNPFEDSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1cccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000449019223 534692709 /nfs/dbraw/zinc/69/27/09/534692709.db2.gz VXLRACSWQXXOBH-MRXNPFEDSA-N 2 2 269.392 3.140 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000163345105 523829550 /nfs/dbraw/zinc/82/95/50/523829550.db2.gz HVOADZHGFBOMAJ-SJLPKXTDSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000163345105 523829557 /nfs/dbraw/zinc/82/95/57/523829557.db2.gz HVOADZHGFBOMAJ-SJLPKXTDSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157085841 524844524 /nfs/dbraw/zinc/84/45/24/524844524.db2.gz CENMRMLISBKZHP-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157085841 524844534 /nfs/dbraw/zinc/84/45/34/524844534.db2.gz CENMRMLISBKZHP-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c(C)[nH+]1 ZINC000094664805 525272525 /nfs/dbraw/zinc/27/25/25/525272525.db2.gz PHINYWGPKGSWPG-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149696195 525416879 /nfs/dbraw/zinc/41/68/79/525416879.db2.gz HCPJYMGUFQIARV-XJKSGUPXSA-N 2 2 287.432 3.419 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000151350362 525456860 /nfs/dbraw/zinc/45/68/60/525456860.db2.gz MTRXIBJUTZOWCE-AWEZNQCLSA-N 2 2 271.408 3.456 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCCCS3)cc2)c[nH+]1 ZINC000156371362 526523657 /nfs/dbraw/zinc/52/36/57/526523657.db2.gz KREMGLAXGXHJJW-MRXNPFEDSA-N 2 2 287.432 3.248 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000356133145 526774562 /nfs/dbraw/zinc/77/45/62/526774562.db2.gz ITLOXCFTJGXCRU-UHFFFAOYSA-N 2 2 285.435 3.403 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000366096634 526821856 /nfs/dbraw/zinc/82/18/56/526821856.db2.gz SDLRQYRRPHAULS-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000366096634 526821861 /nfs/dbraw/zinc/82/18/61/526821861.db2.gz SDLRQYRRPHAULS-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1nccs1 ZINC000086508162 527169712 /nfs/dbraw/zinc/16/97/12/527169712.db2.gz BQXPVJHIXWNVBY-NSHDSACASA-N 2 2 286.404 3.152 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449336474 527829676 /nfs/dbraw/zinc/82/96/76/527829676.db2.gz NREJXZMZWYKPMJ-QLFBSQMISA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449336474 527829682 /nfs/dbraw/zinc/82/96/82/527829682.db2.gz NREJXZMZWYKPMJ-QLFBSQMISA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103166 527850305 /nfs/dbraw/zinc/85/03/05/527850305.db2.gz SUYHZGOIIDLZQF-KGLIPLIRSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103166 527850311 /nfs/dbraw/zinc/85/03/11/527850311.db2.gz SUYHZGOIIDLZQF-KGLIPLIRSA-N 2 2 261.413 3.071 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000377763380 528133621 /nfs/dbraw/zinc/13/36/21/528133621.db2.gz FMMUIFGMRIGLPZ-UKRRQHHQSA-N 2 2 273.424 3.301 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000363845372 528213814 /nfs/dbraw/zinc/21/38/14/528213814.db2.gz KEAUENXFYAUUAK-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000363845372 528213818 /nfs/dbraw/zinc/21/38/18/528213818.db2.gz KEAUENXFYAUUAK-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423359534 528241101 /nfs/dbraw/zinc/24/11/01/528241101.db2.gz KUSAULZCWZMYLD-UBHSHLNASA-N 2 2 252.427 3.177 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423233633 528334295 /nfs/dbraw/zinc/33/42/95/528334295.db2.gz KHIVTTZPKGAXBF-GOSISDBHSA-N 2 2 286.394 3.309 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423374086 528422738 /nfs/dbraw/zinc/42/27/38/528422738.db2.gz HQLBCABPXGJTSG-MNOVXSKESA-N 2 2 290.329 3.234 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244027 528475923 /nfs/dbraw/zinc/47/59/23/528475923.db2.gz XBPNOVUWEMJBPH-DGCLKSJQSA-N 2 2 282.815 3.141 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423306911 528512795 /nfs/dbraw/zinc/51/27/95/528512795.db2.gz FPVXMRZXANDEAA-NSHDSACASA-N 2 2 270.417 3.198 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000423313535 528513073 /nfs/dbraw/zinc/51/30/73/528513073.db2.gz UQELUBGSWNOHNE-AWEZNQCLSA-N 2 2 286.419 3.499 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423307827 528515957 /nfs/dbraw/zinc/51/59/57/528515957.db2.gz HWDQFAUJNNQWFR-SECBINFHSA-N 2 2 291.258 3.161 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423233547 528594402 /nfs/dbraw/zinc/59/44/02/528594402.db2.gz DQSNTFYDYYUCML-RDTXWAMCSA-N 2 2 284.403 3.436 20 0 CGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427104292 528702123 /nfs/dbraw/zinc/70/21/23/528702123.db2.gz MUWFABFKNILIGO-WBVHZDCISA-N 2 2 288.435 3.049 20 0 CGADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427104292 528702128 /nfs/dbraw/zinc/70/21/28/528702128.db2.gz MUWFABFKNILIGO-WBVHZDCISA-N 2 2 288.435 3.049 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423294818 528822017 /nfs/dbraw/zinc/82/20/17/528822017.db2.gz CUFPICLOHHUCNT-WMZOPIPTSA-N 2 2 283.419 3.278 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423301687 528823355 /nfs/dbraw/zinc/82/33/55/528823355.db2.gz UNOBDTKIYHNMKU-GOEBONIOSA-N 2 2 263.429 3.276 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OCC ZINC000423297403 528823717 /nfs/dbraw/zinc/82/37/17/528823717.db2.gz KEUMXSYRHUEVFZ-KGLIPLIRSA-N 2 2 264.413 3.253 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423293830 528825011 /nfs/dbraw/zinc/82/50/11/528825011.db2.gz AVNSNEFVSWQFBJ-HZMBPMFUSA-N 2 2 268.351 3.059 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423287448 528950329 /nfs/dbraw/zinc/95/03/29/528950329.db2.gz MITRYPYHDMNXBK-VIFPVBQESA-N 2 2 274.330 3.272 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423393952 528972541 /nfs/dbraw/zinc/97/25/41/528972541.db2.gz MNCVZNDAFREZGO-GUYCJALGSA-N 2 2 256.393 3.474 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449060778 529106137 /nfs/dbraw/zinc/10/61/37/529106137.db2.gz UAIAQYSHVMQFNI-LRDDRELGSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449060778 529106142 /nfs/dbraw/zinc/10/61/42/529106142.db2.gz UAIAQYSHVMQFNI-LRDDRELGSA-N 2 2 282.378 3.142 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000424334242 529202665 /nfs/dbraw/zinc/20/26/65/529202665.db2.gz NMETVFHFKXAHRN-RBSFLKMASA-N 2 2 268.351 3.275 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)ccc1OC ZINC000427871142 529208011 /nfs/dbraw/zinc/20/80/11/529208011.db2.gz ZKJZUUDKQNWLDF-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423359478 529248182 /nfs/dbraw/zinc/24/81/82/529248182.db2.gz KPLOQMLISTVXSM-WWGRRREGSA-N 2 2 278.465 3.447 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000494091695 535448328 /nfs/dbraw/zinc/44/83/28/535448328.db2.gz ZGVDJKWIZMEQSC-UHFFFAOYSA-N 2 2 295.496 3.306 20 0 CGADLP CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313123550 536010833 /nfs/dbraw/zinc/01/08/33/536010833.db2.gz WKTQBFXENJTHBN-COXVUDFISA-N 2 2 287.407 3.072 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403939 572750272 /nfs/dbraw/zinc/75/02/72/572750272.db2.gz BHAUUJIYWHMSDF-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403939 572750276 /nfs/dbraw/zinc/75/02/76/572750276.db2.gz BHAUUJIYWHMSDF-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403939 572750278 /nfs/dbraw/zinc/75/02/78/572750278.db2.gz BHAUUJIYWHMSDF-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403939 572750281 /nfs/dbraw/zinc/75/02/81/572750281.db2.gz BHAUUJIYWHMSDF-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@]1(Cc2cccs2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000932925299 618091983 /nfs/dbraw/zinc/09/19/83/618091983.db2.gz ORNFONPTTAGMDY-MRXNPFEDSA-N 2 2 289.448 3.432 20 0 CGADLP C[C@]1(Cc2cccs2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000932925299 618091987 /nfs/dbraw/zinc/09/19/87/618091987.db2.gz ORNFONPTTAGMDY-MRXNPFEDSA-N 2 2 289.448 3.432 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000044426601 618614265 /nfs/dbraw/zinc/61/42/65/618614265.db2.gz RZKHZCWTCMELHK-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000044426601 618614269 /nfs/dbraw/zinc/61/42/69/618614269.db2.gz RZKHZCWTCMELHK-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1nccs1 ZINC000251279848 618744026 /nfs/dbraw/zinc/74/40/26/618744026.db2.gz PZFNOSJPUOBHRZ-MJBXVCDLSA-N 2 2 281.469 3.495 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924572397 618854783 /nfs/dbraw/zinc/85/47/83/618854783.db2.gz KMGFGSBKTVKYKP-CHWSQXEVSA-N 2 2 279.428 3.207 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000924572397 618854786 /nfs/dbraw/zinc/85/47/86/618854786.db2.gz KMGFGSBKTVKYKP-CHWSQXEVSA-N 2 2 279.428 3.207 20 0 CGADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000892648579 618886967 /nfs/dbraw/zinc/88/69/67/618886967.db2.gz FZASWXRMOZIORA-CQSZACIVSA-N 2 2 291.395 3.079 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000168234093 618912022 /nfs/dbraw/zinc/91/20/22/618912022.db2.gz YOQGWQCVNOJHNF-GFCCVEGCSA-N 2 2 291.439 3.349 20 0 CGADLP c1csc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000925517629 619010176 /nfs/dbraw/zinc/01/01/76/619010176.db2.gz WGNMIOLBLSWVJM-KBPBESRZSA-N 2 2 262.422 3.073 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccco2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714027 619048807 /nfs/dbraw/zinc/04/88/07/619048807.db2.gz KDRLRHVMJTUBFX-GOSISDBHSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccco2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714027 619048811 /nfs/dbraw/zinc/04/88/11/619048811.db2.gz KDRLRHVMJTUBFX-GOSISDBHSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1 ZINC000925690742 619139977 /nfs/dbraw/zinc/13/99/77/619139977.db2.gz GKKKTFQPRDUPBH-UOAMXJAYSA-N 2 2 284.378 3.360 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093516629 619201960 /nfs/dbraw/zinc/20/19/60/619201960.db2.gz GLSUJDWVJWCORF-XBFCOCLRSA-N 2 2 281.469 3.413 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(Cl)n1 ZINC000925764530 619224876 /nfs/dbraw/zinc/22/48/76/619224876.db2.gz GPXZPSWQJKCTCL-HIFRSBDPSA-N 2 2 295.858 3.444 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000094965816 619291424 /nfs/dbraw/zinc/29/14/24/619291424.db2.gz FYMMDYRERUVLAT-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000094965816 619291429 /nfs/dbraw/zinc/29/14/29/619291429.db2.gz FYMMDYRERUVLAT-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP C[C@H]1CCC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110196 619733187 /nfs/dbraw/zinc/73/31/87/619733187.db2.gz COILAKXNXYWRHG-VGWMRTNUSA-N 2 2 273.424 3.347 20 0 CGADLP C[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112629 619736143 /nfs/dbraw/zinc/73/61/43/619736143.db2.gz QIAQGEWZGVUFGB-KBUPBQIOSA-N 2 2 291.464 3.052 20 0 CGADLP COCCCC1(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC000895316688 619804313 /nfs/dbraw/zinc/80/43/13/619804313.db2.gz HJIJVRZSLIXFAS-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP COCCCC1(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCC1 ZINC000895316688 619804314 /nfs/dbraw/zinc/80/43/14/619804314.db2.gz HJIJVRZSLIXFAS-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401806 619821327 /nfs/dbraw/zinc/82/13/27/619821327.db2.gz CGXLVPMHBYHRMQ-GOSISDBHSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401806 619821329 /nfs/dbraw/zinc/82/13/29/619821329.db2.gz CGXLVPMHBYHRMQ-GOSISDBHSA-N 2 2 299.462 3.151 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895645752 619863793 /nfs/dbraw/zinc/86/37/93/619863793.db2.gz BHAMTABJBHXFRG-RVKKMQEKSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895645752 619863796 /nfs/dbraw/zinc/86/37/96/619863796.db2.gz BHAMTABJBHXFRG-RVKKMQEKSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CC1(F)F ZINC000895706118 619873211 /nfs/dbraw/zinc/87/32/11/619873211.db2.gz IWAMRQXKDSQYAD-CFVMTHIKSA-N 2 2 291.345 3.258 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000895706874 619873446 /nfs/dbraw/zinc/87/34/46/619873446.db2.gz OHUBHJKMMZINFC-PBHICJAKSA-N 2 2 269.392 3.403 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2sccc2OC)CC1 ZINC000895828717 619893609 /nfs/dbraw/zinc/89/36/09/619893609.db2.gz YCZDOQFVAAYUMD-UHFFFAOYSA-N 2 2 294.464 3.207 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(C(F)F)nc1 ZINC000898307257 620509523 /nfs/dbraw/zinc/50/95/23/620509523.db2.gz VZLNXILFFAITAK-UHFFFAOYSA-N 2 2 285.382 3.039 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000898307257 620509528 /nfs/dbraw/zinc/50/95/28/620509528.db2.gz VZLNXILFFAITAK-UHFFFAOYSA-N 2 2 285.382 3.039 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(SC)cc1)C[NH+](C)C ZINC000926965158 620556291 /nfs/dbraw/zinc/55/62/91/620556291.db2.gz QFGLKNVDUOQXKO-DZGCQCFKSA-N 2 2 296.480 3.026 20 0 CGADLP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000927035448 620566764 /nfs/dbraw/zinc/56/67/64/620566764.db2.gz GTQWLTZAMYPNSL-OWCLPIDISA-N 2 2 294.508 3.411 20 0 CGADLP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCS2 ZINC000927035448 620566767 /nfs/dbraw/zinc/56/67/67/620566767.db2.gz GTQWLTZAMYPNSL-OWCLPIDISA-N 2 2 294.508 3.411 20 0 CGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000924712410 620572203 /nfs/dbraw/zinc/57/22/03/620572203.db2.gz IIOMXGCXTPSMFB-CYBMUJFWSA-N 2 2 293.361 3.352 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902349833 621259452 /nfs/dbraw/zinc/25/94/52/621259452.db2.gz RRYXFKDVXZSQQH-LBPRGKRZSA-N 2 2 281.469 3.134 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000902439914 621319850 /nfs/dbraw/zinc/31/98/50/621319850.db2.gz UXWZHEPOPPSKRC-VAMGGRTRSA-N 2 2 292.426 3.222 20 0 CGADLP CCn1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000902490395 621342482 /nfs/dbraw/zinc/34/24/82/621342482.db2.gz NGDXCGWJZYTKDO-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP C[C@@H](C[NH2+][C@H](CCc1cccnc1)c1ccccc1)[NH+](C)C ZINC000902794284 621449324 /nfs/dbraw/zinc/44/93/24/621449324.db2.gz UYHCTRVBSFFSPB-QFBILLFUSA-N 2 2 297.446 3.295 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051417 621556976 /nfs/dbraw/zinc/55/69/76/621556976.db2.gz MAGPDQPRFIFPAX-IIDMSEBBSA-N 2 2 299.418 3.481 20 0 CGADLP C([NH2+][C@@H]1CCOC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000903206256 621629363 /nfs/dbraw/zinc/62/93/63/621629363.db2.gz QDTBHXOMAXUBBZ-IAGOWNOFSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC12CCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000903206256 621629364 /nfs/dbraw/zinc/62/93/64/621629364.db2.gz QDTBHXOMAXUBBZ-IAGOWNOFSA-N 2 2 292.467 3.085 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@H](C2CC2)C2CCCC2)n1 ZINC000903219876 621633344 /nfs/dbraw/zinc/63/33/44/621633344.db2.gz LMDBACRSCUTOAC-INIZCTEOSA-N 2 2 293.480 3.263 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)C[C@H]([NH3+])CC(F)F ZINC000903884808 621826548 /nfs/dbraw/zinc/82/65/48/621826548.db2.gz GVEJEMXMJUTLCQ-LLVKDONJSA-N 2 2 284.375 3.316 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)C[C@H]([NH3+])CC(F)F ZINC000903884808 621826550 /nfs/dbraw/zinc/82/65/50/621826550.db2.gz GVEJEMXMJUTLCQ-LLVKDONJSA-N 2 2 284.375 3.316 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903932910 621834856 /nfs/dbraw/zinc/83/48/56/621834856.db2.gz IASBIHQVVCNTCF-GFCCVEGCSA-N 2 2 260.372 3.015 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000903932910 621834857 /nfs/dbraw/zinc/83/48/57/621834857.db2.gz IASBIHQVVCNTCF-GFCCVEGCSA-N 2 2 260.372 3.015 20 0 CGADLP CN(C)[C@H](C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367757 621913055 /nfs/dbraw/zinc/91/30/55/621913055.db2.gz HYOZVWOKWWWIRS-IAGOWNOFSA-N 2 2 291.483 3.033 20 0 CGADLP Cc1ccc(C)c(C2CC[NH+](C[C@H]([NH3+])CC(F)F)CC2)c1 ZINC000904474283 621925653 /nfs/dbraw/zinc/92/56/53/621925653.db2.gz XDYPTJKYVHTBAR-OAHLLOKOSA-N 2 2 296.405 3.465 20 0 CGADLP CCCC[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000906537659 622246891 /nfs/dbraw/zinc/24/68/91/622246891.db2.gz HFGNBEJFKAGDJZ-UHFFFAOYSA-N 2 2 290.451 3.057 20 0 CGADLP CCCC[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000906537659 622246893 /nfs/dbraw/zinc/24/68/93/622246893.db2.gz HFGNBEJFKAGDJZ-UHFFFAOYSA-N 2 2 290.451 3.057 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000230025285 623185542 /nfs/dbraw/zinc/18/55/42/623185542.db2.gz QAQPRFCOHFGRKV-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000230025285 623185547 /nfs/dbraw/zinc/18/55/47/623185547.db2.gz QAQPRFCOHFGRKV-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)Cn1cc[nH+]c1 ZINC000062254789 623211385 /nfs/dbraw/zinc/21/13/85/623211385.db2.gz ILKPXBCLRXEGTB-HNNXBMFYSA-N 2 2 279.387 3.462 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]CCc2ccccc2)c[nH+]1 ZINC000920182321 624454140 /nfs/dbraw/zinc/45/41/40/624454140.db2.gz JZAYXKKFRAMCSR-UHFFFAOYSA-N 2 2 277.371 3.205 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCO1 ZINC000070356572 624998571 /nfs/dbraw/zinc/99/85/71/624998571.db2.gz SFFJXQIBRDQAEO-PMPSAXMXSA-N 2 2 293.455 3.091 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000186476944 625874284 /nfs/dbraw/zinc/87/42/84/625874284.db2.gz GHCWTVJVZBNYER-OAHLLOKOSA-N 2 2 287.451 3.429 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000921989042 625954045 /nfs/dbraw/zinc/95/40/45/625954045.db2.gz BUKOKFFWJHAELC-AWEZNQCLSA-N 2 2 295.858 3.398 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C/c1ccccc1)c1cccnc1 ZINC000922633041 626022747 /nfs/dbraw/zinc/02/27/47/626022747.db2.gz WZPBFDRXRCITAJ-ZAOIQFLMSA-N 2 2 295.430 3.377 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766271225 627310392 /nfs/dbraw/zinc/31/03/92/627310392.db2.gz SPWMPDWFZBQZNR-HUUCEWRRSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766271225 627310393 /nfs/dbraw/zinc/31/03/93/627310393.db2.gz SPWMPDWFZBQZNR-HUUCEWRRSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000771825021 627734331 /nfs/dbraw/zinc/73/43/31/627734331.db2.gz VAFZDFUWMWPLCG-OAHLLOKOSA-N 2 2 275.440 3.287 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000773035233 627845086 /nfs/dbraw/zinc/84/50/86/627845086.db2.gz LAHKGVBDNQXICN-CRAIPNDOSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000773035233 627845088 /nfs/dbraw/zinc/84/50/88/627845088.db2.gz LAHKGVBDNQXICN-CRAIPNDOSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000775510168 628102334 /nfs/dbraw/zinc/10/23/34/628102334.db2.gz ZCGDJMCIEDVJRK-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000775510168 628102341 /nfs/dbraw/zinc/10/23/41/628102341.db2.gz ZCGDJMCIEDVJRK-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)[nH+]1 ZINC000775660188 628121164 /nfs/dbraw/zinc/12/11/64/628121164.db2.gz CUYRJALRFPYEJG-KWOWKCNFSA-N 2 2 281.403 3.345 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)[nH+]1 ZINC000775660188 628121168 /nfs/dbraw/zinc/12/11/68/628121168.db2.gz CUYRJALRFPYEJG-KWOWKCNFSA-N 2 2 281.403 3.345 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000783239697 628692543 /nfs/dbraw/zinc/69/25/43/628692543.db2.gz METOBYDRFOPPKX-HUUCEWRRSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000783280044 628698322 /nfs/dbraw/zinc/69/83/22/628698322.db2.gz QGGIFCWKNZQWIC-KSSFIOAISA-N 2 2 287.451 3.427 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783637980 628734197 /nfs/dbraw/zinc/73/41/97/628734197.db2.gz XMNCWZOJWALOJD-HEHGZKQESA-N 2 2 287.432 3.417 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784496109 628816409 /nfs/dbraw/zinc/81/64/09/628816409.db2.gz QHHMYORGVZTGTM-LBPRGKRZSA-N 2 2 287.388 3.248 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(SC(F)F)cc2)C[NH2+]1 ZINC000863484832 629587263 /nfs/dbraw/zinc/58/72/63/629587263.db2.gz NPVFDPBQNPFTPK-CMPLNLGQSA-N 2 2 286.391 3.231 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863542339 629601779 /nfs/dbraw/zinc/60/17/79/629601779.db2.gz PUNVQJXCBWFHFW-XJKSGUPXSA-N 2 2 274.408 3.021 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000796704341 629817475 /nfs/dbraw/zinc/81/74/75/629817475.db2.gz OAYZEUHNUOEHJH-JSGCOSHPSA-N 2 2 296.842 3.402 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000796704341 629817476 /nfs/dbraw/zinc/81/74/76/629817476.db2.gz OAYZEUHNUOEHJH-JSGCOSHPSA-N 2 2 296.842 3.402 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000797115457 629890863 /nfs/dbraw/zinc/89/08/63/629890863.db2.gz UBBZWBQPQBYZFF-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000797115457 629890864 /nfs/dbraw/zinc/89/08/64/629890864.db2.gz UBBZWBQPQBYZFF-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000865411832 630110094 /nfs/dbraw/zinc/11/00/94/630110094.db2.gz HWNOQPYWODJPQF-AWEZNQCLSA-N 2 2 287.407 3.239 20 0 CGADLP Cl/C=C/C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000809562984 630751054 /nfs/dbraw/zinc/75/10/54/630751054.db2.gz LGNQCLAOZJIUQE-XVNBXDOJSA-N 2 2 287.794 3.109 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000815563077 631795159 /nfs/dbraw/zinc/79/51/59/631795159.db2.gz SWOPKOYMCJJYSL-AWEZNQCLSA-N 2 2 275.371 3.462 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817951660 632248065 /nfs/dbraw/zinc/24/80/65/632248065.db2.gz IZZDDVDAHSOENF-ZYHUDNBSSA-N 2 2 286.391 3.404 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000818239047 632301492 /nfs/dbraw/zinc/30/14/92/632301492.db2.gz TYZIJBVEGRAYQR-SCAQPMJSSA-N 2 2 299.462 3.110 20 0 CGADLP ClC1(Cl)C[C@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000822676012 633003413 /nfs/dbraw/zinc/00/34/13/633003413.db2.gz PEPMAZGBEIXRBK-LLVKDONJSA-N 2 2 288.222 3.104 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000866211639 633029967 /nfs/dbraw/zinc/02/99/67/633029967.db2.gz FOOXAXFWGXRRRU-CXAGYDPISA-N 2 2 287.382 3.326 20 0 CGADLP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866636486 633224384 /nfs/dbraw/zinc/22/43/84/633224384.db2.gz LCMHPVUSGPPOAU-SQWLQELKSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477228 633249576 /nfs/dbraw/zinc/24/95/76/633249576.db2.gz NJIMCNWDEJCMRY-BXUZGUMPSA-N 2 2 275.783 3.414 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477231 633249698 /nfs/dbraw/zinc/24/96/98/633249698.db2.gz NJIMCNWDEJCMRY-SMDDNHRTSA-N 2 2 275.783 3.414 20 0 CGADLP Cc1ccncc1CCC[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000827352157 633484728 /nfs/dbraw/zinc/48/47/28/633484728.db2.gz AGRFUWDFOBMGGS-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1 ZINC000872023271 633943416 /nfs/dbraw/zinc/94/34/16/633943416.db2.gz DTBPLCAEIFAHOC-GFCCVEGCSA-N 2 2 277.334 3.374 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1C[NH3+] ZINC000872144500 634064415 /nfs/dbraw/zinc/06/44/15/634064415.db2.gz GQVUWXYJMJEPIG-VWYCJHECSA-N 2 2 290.329 3.104 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1C[NH3+] ZINC000872144500 634064417 /nfs/dbraw/zinc/06/44/17/634064417.db2.gz GQVUWXYJMJEPIG-VWYCJHECSA-N 2 2 290.329 3.104 20 0 CGADLP c1cc(O[C@@H]2CCN(c3cc[nH+]cc3C3CC3)C2)cc[nH+]1 ZINC000872524712 634162263 /nfs/dbraw/zinc/16/22/63/634162263.db2.gz NQNQNQNZOVJBKS-OAHLLOKOSA-N 2 2 281.359 3.012 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000873217652 634287436 /nfs/dbraw/zinc/28/74/36/634287436.db2.gz NQKMXDDEXSDIER-WCXIOVBPSA-N 2 2 276.399 3.350 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1ccsc1)Cc1ccccc1 ZINC000019913232 634375762 /nfs/dbraw/zinc/37/57/62/634375762.db2.gz VXYZSQJGJDVJGB-UHFFFAOYSA-N 2 2 274.433 3.360 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1ccsc1)Cc1ccccc1 ZINC000019913232 634375767 /nfs/dbraw/zinc/37/57/67/634375767.db2.gz VXYZSQJGJDVJGB-UHFFFAOYSA-N 2 2 274.433 3.360 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878239488 635426473 /nfs/dbraw/zinc/42/64/73/635426473.db2.gz HXJSIMBBGNPUGH-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878239488 635426477 /nfs/dbraw/zinc/42/64/77/635426477.db2.gz HXJSIMBBGNPUGH-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252904 635433902 /nfs/dbraw/zinc/43/39/02/635433902.db2.gz YNWQNYKADYTAID-UONOGXRCSA-N 2 2 291.439 3.183 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252904 635433906 /nfs/dbraw/zinc/43/39/06/635433906.db2.gz YNWQNYKADYTAID-UONOGXRCSA-N 2 2 291.439 3.183 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136763 635922377 /nfs/dbraw/zinc/92/23/77/635922377.db2.gz RTTNGWKLPIGPNW-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136763 635922380 /nfs/dbraw/zinc/92/23/80/635922380.db2.gz RTTNGWKLPIGPNW-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC000880136763 635922383 /nfs/dbraw/zinc/92/23/83/635922383.db2.gz RTTNGWKLPIGPNW-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC000880136763 635922386 /nfs/dbraw/zinc/92/23/86/635922386.db2.gz RTTNGWKLPIGPNW-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP CCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568747 636022820 /nfs/dbraw/zinc/02/28/20/636022820.db2.gz FKILNGLURBVSOV-INIZCTEOSA-N 2 2 257.381 3.404 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC2=CCCC2)c2ccccc2)c[nH+]1 ZINC000880568826 636022839 /nfs/dbraw/zinc/02/28/39/636022839.db2.gz DIYLEJBXJYNNSD-QGZVFWFLSA-N 2 2 267.376 3.324 20 0 CGADLP c1cn(C[C@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000880570523 636024084 /nfs/dbraw/zinc/02/40/84/636024084.db2.gz WZUBEQARWYFBOL-AEFFLSMTSA-N 2 2 299.418 3.031 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845927629 636120142 /nfs/dbraw/zinc/12/01/42/636120142.db2.gz KNCKNDGNEKNWPF-HUUCEWRRSA-N 2 2 295.471 3.339 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000129248034 636202100 /nfs/dbraw/zinc/20/21/00/636202100.db2.gz RGUBTBLVKCFANM-UKRRQHHQSA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386154 636727181 /nfs/dbraw/zinc/72/71/81/636727181.db2.gz AMCOWDOAJDKPDI-HOCLYGCPSA-N 2 2 257.381 3.259 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388107 636729858 /nfs/dbraw/zinc/72/98/58/636729858.db2.gz MGJHWNIGAJGKCN-KURKYZTESA-N 2 2 299.418 3.172 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000135164190 637095603 /nfs/dbraw/zinc/09/56/03/637095603.db2.gz OIRWHXMUCPOPKZ-ZFWWWQNUSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+](CC(F)F)C1CCC1 ZINC000887100807 637745848 /nfs/dbraw/zinc/74/58/48/637745848.db2.gz RNHHBRLQDGMDJE-UHFFFAOYSA-N 2 2 271.355 3.091 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100807 637745852 /nfs/dbraw/zinc/74/58/52/637745852.db2.gz RNHHBRLQDGMDJE-UHFFFAOYSA-N 2 2 271.355 3.091 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000854221879 638026509 /nfs/dbraw/zinc/02/65/09/638026509.db2.gz BOCKUEGWMUUTLS-FJIDUMEYSA-N 2 2 288.410 3.049 20 0 CGADLP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc2ccccc21 ZINC000924550799 638360868 /nfs/dbraw/zinc/36/08/68/638360868.db2.gz FIGLHRUUGBPRSQ-AWEZNQCLSA-N 2 2 295.386 3.396 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924576333 638366311 /nfs/dbraw/zinc/36/63/11/638366311.db2.gz CNLBNKKEDNMCCB-AWEZNQCLSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(Cl)CC1 ZINC000924624608 638378250 /nfs/dbraw/zinc/37/82/50/638378250.db2.gz MMUIARWWPGBSEM-CYBMUJFWSA-N 2 2 289.810 3.181 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000924644910 638382664 /nfs/dbraw/zinc/38/26/64/638382664.db2.gz BXJLMZUJORDTEN-INIZCTEOSA-N 2 2 275.440 3.176 20 0 CGADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808668 638408093 /nfs/dbraw/zinc/40/80/93/638408093.db2.gz VDAYDZMEOXKAHS-MSOLQXFVSA-N 2 2 299.418 3.023 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010881 638436709 /nfs/dbraw/zinc/43/67/09/638436709.db2.gz ONRIVMZFPIQOKC-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010881 638436716 /nfs/dbraw/zinc/43/67/16/638436716.db2.gz ONRIVMZFPIQOKC-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccccn1)C1CCC1)CCC2 ZINC000925170181 638466779 /nfs/dbraw/zinc/46/67/79/638466779.db2.gz LDWRESZETDDXHF-WBVHZDCISA-N 2 2 296.418 3.287 20 0 CGADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925579680 638535761 /nfs/dbraw/zinc/53/57/61/638535761.db2.gz NVBBCHVVWKHTEA-ZBFHGGJFSA-N 2 2 288.460 3.488 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925712826 638576223 /nfs/dbraw/zinc/57/62/23/638576223.db2.gz PWLGUXZDIANBTP-ZDUSSCGKSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925838500 638628215 /nfs/dbraw/zinc/62/82/15/638628215.db2.gz MTHMREHHXZHFPA-DTZQCDIJSA-N 2 2 294.389 3.156 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000925874573 638638847 /nfs/dbraw/zinc/63/88/47/638638847.db2.gz KLBNDCLFFIBGCF-JCURWCKSSA-N 2 2 294.389 3.284 20 0 CGADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876620 638820351 /nfs/dbraw/zinc/82/03/51/638820351.db2.gz APEYOROXKSZDNZ-VEDBGLOESA-N 2 2 294.508 3.267 20 0 CGADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876620 638820353 /nfs/dbraw/zinc/82/03/53/638820353.db2.gz APEYOROXKSZDNZ-VEDBGLOESA-N 2 2 294.508 3.267 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927022304 638832879 /nfs/dbraw/zinc/83/28/79/638832879.db2.gz QDYZHMFXZHZTTE-QAPCUYQASA-N 2 2 299.418 3.482 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)(C)O1 ZINC000927099384 638842022 /nfs/dbraw/zinc/84/20/22/638842022.db2.gz NGCYFMFZNPWEBZ-BZUAXINKSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C(C)(C)O1 ZINC000927099384 638842023 /nfs/dbraw/zinc/84/20/23/638842023.db2.gz NGCYFMFZNPWEBZ-BZUAXINKSA-N 2 2 294.483 3.187 20 0 CGADLP COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000929805853 638952946 /nfs/dbraw/zinc/95/29/46/638952946.db2.gz JKSNWXKTJKCKPM-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccns1 ZINC000858576814 638996916 /nfs/dbraw/zinc/99/69/16/638996916.db2.gz NLQBIWQAYJNANC-LLVKDONJSA-N 2 2 267.442 3.057 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514328 639162694 /nfs/dbraw/zinc/16/26/94/639162694.db2.gz NXEWHSGFJVCSIB-ZDUSSCGKSA-N 2 2 267.376 3.092 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514328 639162697 /nfs/dbraw/zinc/16/26/97/639162697.db2.gz NXEWHSGFJVCSIB-ZDUSSCGKSA-N 2 2 267.376 3.092 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000250587459 640814696 /nfs/dbraw/zinc/81/46/96/640814696.db2.gz ZWMCIFJIVCEKMM-RRFJBIMHSA-N 2 2 293.455 3.091 20 0 CGADLP CC[NH+]1CCC(c2[nH]c3c(cc(C)cc3C)[nH+]2)CC1 ZINC001250571307 805701976 /nfs/dbraw/zinc/70/19/76/805701976.db2.gz WTMQWEIIAUYFBK-UHFFFAOYSA-N 2 2 257.381 3.379 20 0 CGADLP Cc1ccc2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c2c1 ZINC001156981240 805763849 /nfs/dbraw/zinc/76/38/49/805763849.db2.gz VPKZTJFGJMRXNN-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP Cc1nc(NCC[C@H]2CCC[NH2+]2)cc(C2CCCCC2)[nH+]1 ZINC001158626775 805979106 /nfs/dbraw/zinc/97/91/06/805979106.db2.gz BDSIIFYVGOOJQL-OAHLLOKOSA-N 2 2 288.439 3.387 20 0 CGADLP c1ccc(-c2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c2)cc1 ZINC001158628317 805979536 /nfs/dbraw/zinc/97/95/36/805979536.db2.gz DPZLZJQMCUJADE-MRXNPFEDSA-N 2 2 267.376 3.303 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001158683280 805985424 /nfs/dbraw/zinc/98/54/24/805985424.db2.gz YYTOSMLKWWHKMZ-OAHLLOKOSA-N 2 2 281.831 3.031 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001158683280 805985431 /nfs/dbraw/zinc/98/54/31/805985431.db2.gz YYTOSMLKWWHKMZ-OAHLLOKOSA-N 2 2 281.831 3.031 20 0 CGADLP CN(C)c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159113832 806043571 /nfs/dbraw/zinc/04/35/71/806043571.db2.gz YHNDAIIVJVDOGI-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP Cc1ccc2c(Nc3cnc4c(c3)C[NH2+]CC4)cccc2[nH+]1 ZINC001159140698 806050967 /nfs/dbraw/zinc/05/09/67/806050967.db2.gz PNEKRTPOBSLMFN-UHFFFAOYSA-N 2 2 290.370 3.328 20 0 CGADLP Cc1cc(C)c(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC001159981588 806208642 /nfs/dbraw/zinc/20/86/42/806208642.db2.gz FMSPUKPIKGKWLX-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP COc1ccc(C)[nH+]c1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160663013 806293064 /nfs/dbraw/zinc/29/30/64/806293064.db2.gz WPKCSJJMPDJTTA-AWEZNQCLSA-N 2 2 299.418 3.000 20 0 CGADLP CC/C(C)=C(\C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001254383620 806389974 /nfs/dbraw/zinc/38/99/74/806389974.db2.gz VEFHKESYVRYWKC-VAWYXSNFSA-N 2 2 284.363 3.261 20 0 CGADLP CCC[C@H](CCc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001254486193 806414475 /nfs/dbraw/zinc/41/44/75/806414475.db2.gz VFZKOYNQXHQAMH-MRXNPFEDSA-N 2 2 271.408 3.358 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501987 806422856 /nfs/dbraw/zinc/42/28/56/806422856.db2.gz ASVINQGDQDUGKZ-PKOBYXMFSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501987 806422860 /nfs/dbraw/zinc/42/28/60/806422860.db2.gz ASVINQGDQDUGKZ-PKOBYXMFSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530627 806445128 /nfs/dbraw/zinc/44/51/28/806445128.db2.gz ZZQFULJXRNVLAC-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530627 806445132 /nfs/dbraw/zinc/44/51/32/806445132.db2.gz ZZQFULJXRNVLAC-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530627 806445137 /nfs/dbraw/zinc/44/51/37/806445137.db2.gz ZZQFULJXRNVLAC-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530627 806445142 /nfs/dbraw/zinc/44/51/42/806445142.db2.gz ZZQFULJXRNVLAC-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840241 806494285 /nfs/dbraw/zinc/49/42/85/806494285.db2.gz DNPMCRSZIAQPCD-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254846003 806497753 /nfs/dbraw/zinc/49/77/53/806497753.db2.gz TYOQBCMNXKBACI-GOSISDBHSA-N 2 2 286.463 3.390 20 0 CGADLP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001162390097 806573812 /nfs/dbraw/zinc/57/38/12/806573812.db2.gz KUOFCPJHOYNXCY-ZDUSSCGKSA-N 2 2 276.428 3.195 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001162390097 806573819 /nfs/dbraw/zinc/57/38/19/806573819.db2.gz KUOFCPJHOYNXCY-ZDUSSCGKSA-N 2 2 276.428 3.195 20 0 CGADLP COc1cc[nH+]cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162908335 806683289 /nfs/dbraw/zinc/68/32/89/806683289.db2.gz FPGKLMYSZVOQNO-NSHDSACASA-N 2 2 267.332 3.054 20 0 CGADLP CCC[C@@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037155996 798860159 /nfs/dbraw/zinc/86/01/59/798860159.db2.gz ZPEXDIKWCRHIJT-ZIAGYGMSSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000037156563 798862894 /nfs/dbraw/zinc/86/28/94/798862894.db2.gz RXPNEVHKANHTJQ-DZGCQCFKSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028871 798884836 /nfs/dbraw/zinc/88/48/36/798884836.db2.gz CBDBWESQGQMNIW-HUUCEWRRSA-N 2 2 264.413 3.065 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255697986 806709103 /nfs/dbraw/zinc/70/91/03/806709103.db2.gz VHOPYAPNWMRXNJ-RDBSUJKOSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255697986 806709106 /nfs/dbraw/zinc/70/91/06/806709106.db2.gz VHOPYAPNWMRXNJ-RDBSUJKOSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978489 799430774 /nfs/dbraw/zinc/43/07/74/799430774.db2.gz QWPKWZRSJQVHEN-ZJUUUORDSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978489 799430778 /nfs/dbraw/zinc/43/07/78/799430778.db2.gz QWPKWZRSJQVHEN-ZJUUUORDSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956079 799533073 /nfs/dbraw/zinc/53/30/73/799533073.db2.gz IHCJOZOLFUNKSB-JMSVASOKSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956079 799533077 /nfs/dbraw/zinc/53/30/77/799533077.db2.gz IHCJOZOLFUNKSB-JMSVASOKSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221523 799536969 /nfs/dbraw/zinc/53/69/69/799536969.db2.gz JEUAEKKOUJLVCR-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221523 799536972 /nfs/dbraw/zinc/53/69/72/799536972.db2.gz JEUAEKKOUJLVCR-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP CC[N@H+]([C@H](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255871435 806776265 /nfs/dbraw/zinc/77/62/65/806776265.db2.gz ARRMNUTYMDFOBR-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001255871435 806776270 /nfs/dbraw/zinc/77/62/70/806776270.db2.gz ARRMNUTYMDFOBR-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CO[C@H](C)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709645533 800011011 /nfs/dbraw/zinc/01/10/11/800011011.db2.gz QRRRKEKUFILKGG-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CO[C@H](C)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709645533 800011017 /nfs/dbraw/zinc/01/10/17/800011017.db2.gz QRRRKEKUFILKGG-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1c(Cl)cccc1C(F)(F)F ZINC000712577966 800095174 /nfs/dbraw/zinc/09/51/74/800095174.db2.gz AMLDNYFWUJJXRP-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1c(Cl)cccc1C(F)(F)F ZINC000712577966 800095180 /nfs/dbraw/zinc/09/51/80/800095180.db2.gz AMLDNYFWUJJXRP-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716273357 800167047 /nfs/dbraw/zinc/16/70/47/800167047.db2.gz WSJSGUUEDZYLMB-YJBOKZPZSA-N 2 2 272.436 3.287 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721641026 800299172 /nfs/dbraw/zinc/29/91/72/800299172.db2.gz MRQUTZVWVSMMQW-PBHICJAKSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721641026 800299174 /nfs/dbraw/zinc/29/91/74/800299174.db2.gz MRQUTZVWVSMMQW-PBHICJAKSA-N 2 2 260.425 3.197 20 0 CGADLP Cc1c(C)n(-c2cccn3cc[nH+]c23)c2ccc(C[NH3+])cc12 ZINC001163761012 806819980 /nfs/dbraw/zinc/81/99/80/806819980.db2.gz COBUBWSLLWMANO-UHFFFAOYSA-N 2 2 290.370 3.354 20 0 CGADLP C[NH+]1CCC([NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC001256207069 806849486 /nfs/dbraw/zinc/84/94/86/806849486.db2.gz AQCXJSOIFYFOAB-UHFFFAOYSA-N 2 2 276.399 3.099 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC001163916728 806850636 /nfs/dbraw/zinc/85/06/36/806850636.db2.gz KMNYTMFNULKDOJ-UHFFFAOYSA-N 2 2 284.285 3.026 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@H](C[NH3+])CC[C@@H]3C)[nH+]c12 ZINC001164460480 806950462 /nfs/dbraw/zinc/95/04/62/806950462.db2.gz DLIUKYOGCOGFCM-GJZGRUSLSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1cc([NH2+][C@@H]2CC[C@@H]2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001117620866 802472916 /nfs/dbraw/zinc/47/29/16/802472916.db2.gz YUCJDEQWVPQBAT-QZTJIDSGSA-N 2 2 299.462 3.347 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2csc(C)c2)CC1 ZINC001117743984 802484448 /nfs/dbraw/zinc/48/44/48/802484448.db2.gz QWXZJZCSZSUYKQ-UHFFFAOYSA-N 2 2 266.454 3.363 20 0 CGADLP CC1([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001118233463 802540089 /nfs/dbraw/zinc/54/00/89/802540089.db2.gz PCBGOLHJEFZTNL-HNNXBMFYSA-N 2 2 258.409 3.182 20 0 CGADLP CC1([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001118233463 802540096 /nfs/dbraw/zinc/54/00/96/802540096.db2.gz PCBGOLHJEFZTNL-HNNXBMFYSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2csc(Cl)c2)CC1 ZINC001205280646 812928198 /nfs/dbraw/zinc/92/81/98/812928198.db2.gz FDSUNVRKORSKGU-LBPRGKRZSA-N 2 2 258.818 3.105 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205280646 812928201 /nfs/dbraw/zinc/92/82/01/812928201.db2.gz FDSUNVRKORSKGU-LBPRGKRZSA-N 2 2 258.818 3.105 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001205280739 812928997 /nfs/dbraw/zinc/92/89/97/812928997.db2.gz HMVYCTFIQVSWHU-GFCCVEGCSA-N 2 2 276.302 3.002 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001205280739 812929002 /nfs/dbraw/zinc/92/90/02/812929002.db2.gz HMVYCTFIQVSWHU-GFCCVEGCSA-N 2 2 276.302 3.002 20 0 CGADLP C[NH+](C)CCCOc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001245337150 803702530 /nfs/dbraw/zinc/70/25/30/803702530.db2.gz XSWBWNOVQQQBRR-UHFFFAOYSA-N 2 2 295.386 3.332 20 0 CGADLP CC[NH+](CC)Cc1cc(OC)ccc1-c1c[nH+]c(N)c(C)c1 ZINC001245540722 803800284 /nfs/dbraw/zinc/80/02/84/803800284.db2.gz FZFXMROLPMBTAL-UHFFFAOYSA-N 2 2 299.418 3.490 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846878 /nfs/dbraw/zinc/84/68/78/803846878.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846888 /nfs/dbraw/zinc/84/68/88/803846888.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846898 /nfs/dbraw/zinc/84/68/98/803846898.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@H]21 ZINC001138062697 803846907 /nfs/dbraw/zinc/84/69/07/803846907.db2.gz WSWXDDJJZNXTRS-CRAIPNDOSA-N 2 2 296.414 3.071 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2[nH]c3ccccc3c2C)CC1 ZINC001138399776 803917194 /nfs/dbraw/zinc/91/71/94/803917194.db2.gz CEODPYRTVFNOMC-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2[nH]c3ccccc3c2C)CC1 ZINC001138399776 803917203 /nfs/dbraw/zinc/91/72/03/803917203.db2.gz CEODPYRTVFNOMC-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138527558 803959190 /nfs/dbraw/zinc/95/91/90/803959190.db2.gz JQDDWIDRLZRIKT-CZUORRHYSA-N 2 2 278.465 3.084 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138527558 803959197 /nfs/dbraw/zinc/95/91/97/803959197.db2.gz JQDDWIDRLZRIKT-CZUORRHYSA-N 2 2 278.465 3.084 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001139000475 804103621 /nfs/dbraw/zinc/10/36/21/804103621.db2.gz RNPVPUIEMOKKGQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001139000475 804103624 /nfs/dbraw/zinc/10/36/24/804103624.db2.gz RNPVPUIEMOKKGQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccncc1 ZINC001246075682 804114690 /nfs/dbraw/zinc/11/46/90/804114690.db2.gz KFXFNQVWYKRKAT-VDZJLULYSA-N 2 2 295.430 3.210 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246091308 804122181 /nfs/dbraw/zinc/12/21/81/804122181.db2.gz OWRPDBVXAAORTB-KKUMJFAQSA-N 2 2 268.420 3.169 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246090143 804122337 /nfs/dbraw/zinc/12/23/37/804122337.db2.gz FJUYJZCMKNCMSF-YYIAUSFCSA-N 2 2 276.399 3.002 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246114965 804146738 /nfs/dbraw/zinc/14/67/38/804146738.db2.gz XKYDLKUNNMQVES-ILXRZTDVSA-N 2 2 258.425 3.415 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1F ZINC001246109561 804141039 /nfs/dbraw/zinc/14/10/39/804141039.db2.gz YDHXWGINDKEARG-GMTAPVOTSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246113721 804144524 /nfs/dbraw/zinc/14/45/24/804144524.db2.gz ZHVUDXMRRGDAGL-ZWNOBZJWSA-N 2 2 287.234 3.266 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4cccnc4c3)CC2)c[nH+]1 ZINC001139168226 804148473 /nfs/dbraw/zinc/14/84/73/804148473.db2.gz KPHLFUVEBNAMFL-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246131519 804157724 /nfs/dbraw/zinc/15/77/24/804157724.db2.gz ZHVUDXMRRGDAGL-MFKMUULPSA-N 2 2 287.234 3.266 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246141036 804163562 /nfs/dbraw/zinc/16/35/62/804163562.db2.gz JEHFUZFWBCPUDT-XBVQOTNRSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140514 804163787 /nfs/dbraw/zinc/16/37/87/804163787.db2.gz FSSOCXUVCAOKRA-ZMYBRWDISA-N 2 2 298.405 3.450 20 0 CGADLP CCCCCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148264 804168407 /nfs/dbraw/zinc/16/84/07/804168407.db2.gz RDKGCONRDIMKIR-SJORKVTESA-N 3 2 295.515 3.199 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151381 804170760 /nfs/dbraw/zinc/17/07/60/804170760.db2.gz YJVJXAISTRJMEN-YESZJQIVSA-N 3 2 295.515 3.055 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151380 804171382 /nfs/dbraw/zinc/17/13/82/804171382.db2.gz YJVJXAISTRJMEN-ULQDDVLXSA-N 3 2 295.515 3.055 20 0 CGADLP C[C@@H]1CC([NH2+]CC[NH2+]Cc2ccccc2)C[C@@H](C)C1 ZINC001246170003 804183889 /nfs/dbraw/zinc/18/38/89/804183889.db2.gz KNSDOKWMXHHVSH-GJZGRUSLSA-N 2 2 260.425 3.191 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC001246189897 804200787 /nfs/dbraw/zinc/20/07/87/804200787.db2.gz KNVVINLGPJNYCD-RFHZTLPTSA-N 2 2 292.389 3.331 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001246194778 804202458 /nfs/dbraw/zinc/20/24/58/804202458.db2.gz OMHZWXQKPNZERR-STQMWFEESA-N 2 2 292.389 3.475 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246210971 804208000 /nfs/dbraw/zinc/20/80/00/804208000.db2.gz HJNVRMQRDCIGNY-COPLHBTASA-N 2 2 286.341 3.497 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC001246231388 804225307 /nfs/dbraw/zinc/22/53/07/804225307.db2.gz QQDIUXUTJJZYNA-MNOVXSKESA-N 2 2 285.229 3.098 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC001246318886 804279350 /nfs/dbraw/zinc/27/93/50/804279350.db2.gz VGRWMBWSKHSTFV-GXTWGEPZSA-N 2 2 266.816 3.441 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C[NH2+]1 ZINC001246318219 804279488 /nfs/dbraw/zinc/27/94/88/804279488.db2.gz PTFXHUGRLRFACV-CJNGLKHVSA-N 2 2 276.399 3.325 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246332519 804288005 /nfs/dbraw/zinc/28/80/05/804288005.db2.gz MVZMWUQRSDPPJZ-CZUORRHYSA-N 2 2 294.389 3.320 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246334894 804289560 /nfs/dbraw/zinc/28/95/60/804289560.db2.gz FUOJVFOVTIFHFW-CABCVRRESA-N 2 2 272.502 3.420 20 0 CGADLP c1ccc(C2CCC([NH2+]C[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC001246336437 804290806 /nfs/dbraw/zinc/29/08/06/804290806.db2.gz NABBIKIOACDVDD-JCYILVPMSA-N 2 2 290.476 3.007 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CCC[NH2+]C2)(c2ccccc2)CC1 ZINC001246408082 804324013 /nfs/dbraw/zinc/32/40/13/804324013.db2.gz UJDQDMJFAWGPBK-OAHLLOKOSA-N 2 2 294.389 3.433 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(Cl)ccc32)CC[NH2+]1 ZINC001246418955 804327631 /nfs/dbraw/zinc/32/76/31/804327631.db2.gz TXTQZADWLMNEMC-VHDGCEQUSA-N 2 2 294.826 3.140 20 0 CGADLP Cc1ccc(C2([NH2+][C@H]3CC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246454695 804336438 /nfs/dbraw/zinc/33/64/38/804336438.db2.gz FKPZOESLNKROFJ-HNNXBMFYSA-N 2 2 294.389 3.351 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246470515 804348128 /nfs/dbraw/zinc/34/81/28/804348128.db2.gz ZXSUAIXRBNLXSF-INWMFGNUSA-N 2 2 264.388 3.315 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246557154 804406989 /nfs/dbraw/zinc/40/69/89/804406989.db2.gz FDEINQAMZCDGLQ-OCCSQVGLSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246557154 804406995 /nfs/dbraw/zinc/40/69/95/804406995.db2.gz FDEINQAMZCDGLQ-OCCSQVGLSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558271 804408083 /nfs/dbraw/zinc/40/80/83/804408083.db2.gz KFNXNAPDIJRMIB-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558271 804408089 /nfs/dbraw/zinc/40/80/89/804408089.db2.gz KFNXNAPDIJRMIB-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246570450 804416767 /nfs/dbraw/zinc/41/67/67/804416767.db2.gz INXOKRBKCFUTSV-FUHWJXTLSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246570450 804416771 /nfs/dbraw/zinc/41/67/71/804416771.db2.gz INXOKRBKCFUTSV-FUHWJXTLSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585244 804428361 /nfs/dbraw/zinc/42/83/61/804428361.db2.gz ZLRFZKZSRCRXGZ-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585244 804428364 /nfs/dbraw/zinc/42/83/64/804428364.db2.gz ZLRFZKZSRCRXGZ-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587204 804430540 /nfs/dbraw/zinc/43/05/40/804430540.db2.gz GBQGBDLZOUHDOO-CRWXNKLISA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587204 804430543 /nfs/dbraw/zinc/43/05/43/804430543.db2.gz GBQGBDLZOUHDOO-CRWXNKLISA-N 2 2 292.389 3.365 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610288 804444460 /nfs/dbraw/zinc/44/44/60/804444460.db2.gz OZOUBWYEULYYQX-SJORKVTESA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610288 804444462 /nfs/dbraw/zinc/44/44/62/804444462.db2.gz OZOUBWYEULYYQX-SJORKVTESA-N 2 2 290.838 3.025 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617385 804451718 /nfs/dbraw/zinc/45/17/18/804451718.db2.gz CDHVXBMMONTFQU-DOTOQJQBSA-N 2 2 284.447 3.107 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H](C)C1 ZINC001246661003 804484221 /nfs/dbraw/zinc/48/42/21/804484221.db2.gz FCIPFYIENWLEEB-UQOYYSHTSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H](C)C1 ZINC001246661003 804484225 /nfs/dbraw/zinc/48/42/25/804484225.db2.gz FCIPFYIENWLEEB-UQOYYSHTSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658899 804484422 /nfs/dbraw/zinc/48/44/22/804484422.db2.gz QFPXLMWSDMCTPK-SLEUVZQESA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658899 804484424 /nfs/dbraw/zinc/48/44/24/804484424.db2.gz QFPXLMWSDMCTPK-SLEUVZQESA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC001246688907 804497681 /nfs/dbraw/zinc/49/76/81/804497681.db2.gz IIIRNEUQLRFCNF-WMLDXEAASA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1F ZINC001140805492 804522807 /nfs/dbraw/zinc/52/28/07/804522807.db2.gz HNSDOKFUENGFOC-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(F)c1F ZINC001140805492 804522811 /nfs/dbraw/zinc/52/28/11/804522811.db2.gz HNSDOKFUENGFOC-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246820237 804535881 /nfs/dbraw/zinc/53/58/81/804535881.db2.gz HYYMYFQHEAWEBH-KWCYVHTRSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246820237 804535883 /nfs/dbraw/zinc/53/58/83/804535883.db2.gz HYYMYFQHEAWEBH-KWCYVHTRSA-N 2 2 278.827 3.009 20 0 CGADLP C1CCC2(CC1)C[C@@H]([N@@H+]1CC3CCC1CC3)CC[NH2+]2 ZINC001246826284 804538284 /nfs/dbraw/zinc/53/82/84/804538284.db2.gz XTDOPXQUJDCHHM-GPANFISMSA-N 2 2 262.441 3.316 20 0 CGADLP C1CCC2(CC1)C[C@@H]([N@H+]1CC3CCC1CC3)CC[NH2+]2 ZINC001246826284 804538288 /nfs/dbraw/zinc/53/82/88/804538288.db2.gz XTDOPXQUJDCHHM-GPANFISMSA-N 2 2 262.441 3.316 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846050 804553916 /nfs/dbraw/zinc/55/39/16/804553916.db2.gz OVMOQXPCDMJFIW-HUUCEWRRSA-N 2 2 250.430 3.316 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846050 804553920 /nfs/dbraw/zinc/55/39/20/804553920.db2.gz OVMOQXPCDMJFIW-HUUCEWRRSA-N 2 2 250.430 3.316 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246847959 804558412 /nfs/dbraw/zinc/55/84/12/804558412.db2.gz UECGFLZZWAQRKO-IXDOHACOSA-N 2 2 282.472 3.392 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246847959 804558417 /nfs/dbraw/zinc/55/84/17/804558417.db2.gz UECGFLZZWAQRKO-IXDOHACOSA-N 2 2 282.472 3.392 20 0 CGADLP Clc1cccc2c1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246875407 804575117 /nfs/dbraw/zinc/57/51/17/804575117.db2.gz VHXYDTRLDJECTQ-FICVDOATSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1cccc2c1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246875407 804575123 /nfs/dbraw/zinc/57/51/23/804575123.db2.gz VHXYDTRLDJECTQ-FICVDOATSA-N 2 2 290.838 3.371 20 0 CGADLP Cc1ccncc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141037423 804576799 /nfs/dbraw/zinc/57/67/99/804576799.db2.gz VILZRYZZXQMVDN-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1ccncc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001141037423 804576803 /nfs/dbraw/zinc/57/68/03/804576803.db2.gz VILZRYZZXQMVDN-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883575 804579681 /nfs/dbraw/zinc/57/96/81/804579681.db2.gz WYIISJQATYHZRW-QZTJIDSGSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883575 804579686 /nfs/dbraw/zinc/57/96/86/804579686.db2.gz WYIISJQATYHZRW-QZTJIDSGSA-N 2 2 290.426 3.495 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246939834 804610481 /nfs/dbraw/zinc/61/04/81/804610481.db2.gz SKYXLEDKAASGIO-PVXIVEMSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246939834 804610485 /nfs/dbraw/zinc/61/04/85/804610485.db2.gz SKYXLEDKAASGIO-PVXIVEMSSA-N 2 2 278.827 3.009 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246953274 804618228 /nfs/dbraw/zinc/61/82/28/804618228.db2.gz QBXGXJIKWZLWBK-FJIDUMEYSA-N 2 2 299.462 3.070 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@@H+](Cc3cccnc3)[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246953274 804618232 /nfs/dbraw/zinc/61/82/32/804618232.db2.gz QBXGXJIKWZLWBK-FJIDUMEYSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953888 804618300 /nfs/dbraw/zinc/61/83/00/804618300.db2.gz UQDLBLVMNAYOLQ-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953888 804618304 /nfs/dbraw/zinc/61/83/04/804618304.db2.gz UQDLBLVMNAYOLQ-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001247007412 804637053 /nfs/dbraw/zinc/63/70/53/804637053.db2.gz ZLJAVQADZZUEFY-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001247007412 804637055 /nfs/dbraw/zinc/63/70/55/804637055.db2.gz ZLJAVQADZZUEFY-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001247007417 804637693 /nfs/dbraw/zinc/63/76/93/804637693.db2.gz ZLJAVQADZZUEFY-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001247007417 804637696 /nfs/dbraw/zinc/63/76/96/804637696.db2.gz ZLJAVQADZZUEFY-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(SC)s3)C[C@@H]2C1 ZINC001142031174 804690019 /nfs/dbraw/zinc/69/00/19/804690019.db2.gz BQNFLERLBRDGLO-STQMWFEESA-N 2 2 296.505 3.244 20 0 CGADLP FC1CC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143023306 804797438 /nfs/dbraw/zinc/79/74/38/804797438.db2.gz XZHUPZYQRQKXNT-UHFFFAOYSA-N 2 2 273.355 3.048 20 0 CGADLP Cc1c(O)cccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001144121125 804939719 /nfs/dbraw/zinc/93/97/19/804939719.db2.gz YLVZFYPSLIBGSL-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1c(O)cccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001144121125 804939723 /nfs/dbraw/zinc/93/97/23/804939723.db2.gz YLVZFYPSLIBGSL-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)cccc2n1 ZINC001248573894 804956510 /nfs/dbraw/zinc/95/65/10/804956510.db2.gz PGCYDYAHDGORKW-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)cccc2n1 ZINC001248573894 804956514 /nfs/dbraw/zinc/95/65/14/804956514.db2.gz PGCYDYAHDGORKW-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)cccc2n1 ZINC001248573894 804956517 /nfs/dbraw/zinc/95/65/17/804956517.db2.gz PGCYDYAHDGORKW-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)cccc2n1 ZINC001248573894 804956522 /nfs/dbraw/zinc/95/65/22/804956522.db2.gz PGCYDYAHDGORKW-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP CCc1cccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001144326670 804973001 /nfs/dbraw/zinc/97/30/01/804973001.db2.gz LXMGLEJEROEWOL-UHFFFAOYSA-N 2 2 272.436 3.308 20 0 CGADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001144326670 804973007 /nfs/dbraw/zinc/97/30/07/804973007.db2.gz LXMGLEJEROEWOL-UHFFFAOYSA-N 2 2 272.436 3.308 20 0 CGADLP Fc1ccc2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)ccc2c1 ZINC001155057357 805530119 /nfs/dbraw/zinc/53/01/19/805530119.db2.gz FIBOXVLTDZPVIU-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257308759 807098895 /nfs/dbraw/zinc/09/88/95/807098895.db2.gz GXOPYMPCHKBHNF-GWCFXTLKSA-N 2 2 285.229 3.227 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001257311386 807099708 /nfs/dbraw/zinc/09/97/08/807099708.db2.gz MEYRMMPYDZRFFM-CQSZACIVSA-N 2 2 276.424 3.135 20 0 CGADLP CCc1cc(-n2cc(C[NH2+]C)c3cc(C)ccc32)nc(C)[nH+]1 ZINC001167123225 807155436 /nfs/dbraw/zinc/15/54/36/807155436.db2.gz HWOIWWRPQBZXNR-UHFFFAOYSA-N 2 2 294.402 3.319 20 0 CGADLP CCCCC[C@@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001257514054 807188513 /nfs/dbraw/zinc/18/85/13/807188513.db2.gz ARXHSCQSTCDDDC-QGZVFWFLSA-N 3 2 285.520 3.161 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001167784787 807250183 /nfs/dbraw/zinc/25/01/83/807250183.db2.gz CWFJBCLBYZPKEX-UHFFFAOYSA-N 2 2 282.322 3.272 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001258016488 807267756 /nfs/dbraw/zinc/26/77/56/807267756.db2.gz IVZCFRYOFAZVBX-RDJZCZTQSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001258016488 807267760 /nfs/dbraw/zinc/26/77/60/807267760.db2.gz IVZCFRYOFAZVBX-RDJZCZTQSA-N 2 2 264.457 3.371 20 0 CGADLP [NH2+]=C(Nc1cc(Cl)nc2cc(F)ccc21)SCC[NH3+] ZINC001167914506 807272926 /nfs/dbraw/zinc/27/29/26/807272926.db2.gz UXPJEYNRWRCXMP-UHFFFAOYSA-N 2 2 298.774 3.066 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258062332 807283647 /nfs/dbraw/zinc/28/36/47/807283647.db2.gz JZWWANMCQFCDDZ-UONOGXRCSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258062332 807283650 /nfs/dbraw/zinc/28/36/50/807283650.db2.gz JZWWANMCQFCDDZ-UONOGXRCSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258075137 807292636 /nfs/dbraw/zinc/29/26/36/807292636.db2.gz RNXJERHGPWGNJP-NXOAAHMSSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258075137 807292640 /nfs/dbraw/zinc/29/26/40/807292640.db2.gz RNXJERHGPWGNJP-NXOAAHMSSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258075137 807292646 /nfs/dbraw/zinc/29/26/46/807292646.db2.gz RNXJERHGPWGNJP-NXOAAHMSSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258075137 807292652 /nfs/dbraw/zinc/29/26/52/807292652.db2.gz RNXJERHGPWGNJP-NXOAAHMSSA-N 2 2 266.473 3.473 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2cnoc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012616 807301521 /nfs/dbraw/zinc/30/15/21/807301521.db2.gz DCGLIYAEVLIAOX-HUUCEWRRSA-N 2 2 299.418 3.206 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NC2(C)CC[NH2+]CC2)c1 ZINC001168189572 807341180 /nfs/dbraw/zinc/34/11/80/807341180.db2.gz WKKRIYOKXMWGRC-UHFFFAOYSA-N 2 2 275.440 3.395 20 0 CGADLP Cc1ccc(N([C@H](C)Cc2ccco2)C2CC[NH2+]CC2)[nH+]c1 ZINC001258198193 807357425 /nfs/dbraw/zinc/35/74/25/807357425.db2.gz WPBRTOIGGBMKJY-OAHLLOKOSA-N 2 2 299.418 3.173 20 0 CGADLP CSCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258207818 807364782 /nfs/dbraw/zinc/36/47/82/807364782.db2.gz ACQQDCYCTLYOOR-RBSFLKMASA-N 2 2 293.480 3.300 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353051 807390172 /nfs/dbraw/zinc/39/01/72/807390172.db2.gz ILLOFORMCGLWOI-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001168387269 807399590 /nfs/dbraw/zinc/39/95/90/807399590.db2.gz AZPRRIYGGMDMJJ-WBVHZDCISA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001168387269 807399597 /nfs/dbraw/zinc/39/95/97/807399597.db2.gz AZPRRIYGGMDMJJ-WBVHZDCISA-N 2 2 262.441 3.125 20 0 CGADLP COc1ccccc1C[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168381652 807399840 /nfs/dbraw/zinc/39/98/40/807399840.db2.gz YRXHLBOUJYRCSH-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP COc1ccccc1C[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168381652 807399849 /nfs/dbraw/zinc/39/98/49/807399849.db2.gz YRXHLBOUJYRCSH-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001168399515 807405321 /nfs/dbraw/zinc/40/53/21/807405321.db2.gz BSOPAHOPWOOVQY-GOSISDBHSA-N 2 2 290.426 3.149 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001168399517 807405424 /nfs/dbraw/zinc/40/54/24/807405424.db2.gz BSOPAHOPWOOVQY-SFHVURJKSA-N 2 2 290.426 3.149 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC001258388273 807435958 /nfs/dbraw/zinc/43/59/58/807435958.db2.gz SSCMTEXGMAVWAC-INIZCTEOSA-N 2 2 292.467 3.338 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC001258388273 807435961 /nfs/dbraw/zinc/43/59/61/807435961.db2.gz SSCMTEXGMAVWAC-INIZCTEOSA-N 2 2 292.467 3.338 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001258456144 807461982 /nfs/dbraw/zinc/46/19/82/807461982.db2.gz YIDRCEZQFGLIDH-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2CCC(C)(C)C2)C1 ZINC001258608614 807506196 /nfs/dbraw/zinc/50/61/96/807506196.db2.gz MDWQLVIDYUYJAK-CABCVRRESA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2CCC(C)(C)C2)C1 ZINC001258608614 807506200 /nfs/dbraw/zinc/50/62/00/807506200.db2.gz MDWQLVIDYUYJAK-CABCVRRESA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H]2CCC(C)(C)C2)C1 ZINC001258608616 807506375 /nfs/dbraw/zinc/50/63/75/807506375.db2.gz MDWQLVIDYUYJAK-GJZGRUSLSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H]2CCC(C)(C)C2)C1 ZINC001258608616 807506376 /nfs/dbraw/zinc/50/63/76/807506376.db2.gz MDWQLVIDYUYJAK-GJZGRUSLSA-N 2 2 274.408 3.422 20 0 CGADLP CC(C)([NH3+])c1ccccc1NCCc1cn2ccccc2[nH+]1 ZINC001169008429 807551652 /nfs/dbraw/zinc/55/16/52/807551652.db2.gz DQFOAESIIRUNBX-UHFFFAOYSA-N 2 2 294.402 3.183 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001169049765 807560428 /nfs/dbraw/zinc/56/04/28/807560428.db2.gz KMEQQSLBGJOQQS-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001169049765 807560431 /nfs/dbraw/zinc/56/04/31/807560431.db2.gz KMEQQSLBGJOQQS-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+]([C@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705922 807560500 /nfs/dbraw/zinc/56/05/00/807560500.db2.gz ZRWQGPHDVSIJKL-YESZJQIVSA-N 2 2 296.499 3.244 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+]([C@H]2C[C@H](C)CC(C)(C)C2)CCO1 ZINC001258705922 807560504 /nfs/dbraw/zinc/56/05/04/807560504.db2.gz ZRWQGPHDVSIJKL-YESZJQIVSA-N 2 2 296.499 3.244 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC001169101828 807577590 /nfs/dbraw/zinc/57/75/90/807577590.db2.gz VPSNYXFDDAESKI-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC001169101828 807577595 /nfs/dbraw/zinc/57/75/95/807577595.db2.gz VPSNYXFDDAESKI-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP COc1cc[nH+]cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169149394 807594540 /nfs/dbraw/zinc/59/45/40/807594540.db2.gz ZNTNWRLXWMRXRG-BLLLJJGKSA-N 2 2 277.412 3.046 20 0 CGADLP CCC[NH+]1CCC([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001258776210 807606192 /nfs/dbraw/zinc/60/61/92/807606192.db2.gz YLZMPPARGROTDR-HNNXBMFYSA-N 2 2 282.447 3.465 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258809785 807629446 /nfs/dbraw/zinc/62/94/46/807629446.db2.gz BXTRTZQBAFCGNF-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239414 807799821 /nfs/dbraw/zinc/79/98/21/807799821.db2.gz ADRHDJLOMFUVKG-ROUUACIJSA-N 2 2 294.483 3.283 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239414 807799822 /nfs/dbraw/zinc/79/98/22/807799822.db2.gz ADRHDJLOMFUVKG-ROUUACIJSA-N 2 2 294.483 3.283 20 0 CGADLP CC1(C)[C@@H]2C[C@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C[C@@H]21 ZINC001170764016 807901895 /nfs/dbraw/zinc/90/18/95/807901895.db2.gz DXISZXFCDUBQLC-MUJYYYPQSA-N 2 2 285.435 3.075 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170895348 807927214 /nfs/dbraw/zinc/92/72/14/807927214.db2.gz CTFLCYJNFRUOGR-ZFWWWQNUSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172368564 808263675 /nfs/dbraw/zinc/26/36/75/808263675.db2.gz JFLDWRBWKGMFJM-FPCVCCKLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172368564 808263677 /nfs/dbraw/zinc/26/36/77/808263677.db2.gz JFLDWRBWKGMFJM-FPCVCCKLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@H]1C ZINC001172379690 808272541 /nfs/dbraw/zinc/27/25/41/808272541.db2.gz PLBCHGLXKMWMAX-IIAWOOMASA-N 2 2 261.413 3.345 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818715 808444450 /nfs/dbraw/zinc/44/44/50/808444450.db2.gz QQHBRWWPVBFOQR-ACBHZAAOSA-N 2 2 286.463 3.472 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818715 808444453 /nfs/dbraw/zinc/44/44/53/808444453.db2.gz QQHBRWWPVBFOQR-ACBHZAAOSA-N 2 2 286.463 3.472 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172826658 808448625 /nfs/dbraw/zinc/44/86/25/808448625.db2.gz WRKPSHRGBXRVEP-SFHVURJKSA-N 2 2 274.452 3.174 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172826658 808448629 /nfs/dbraw/zinc/44/86/29/808448629.db2.gz WRKPSHRGBXRVEP-SFHVURJKSA-N 2 2 274.452 3.174 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172876238 808473379 /nfs/dbraw/zinc/47/33/79/808473379.db2.gz XUOSUBMNUPUAIF-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172876238 808473385 /nfs/dbraw/zinc/47/33/85/808473385.db2.gz XUOSUBMNUPUAIF-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039380 808497307 /nfs/dbraw/zinc/49/73/07/808497307.db2.gz HVMCHKYYDPYRRN-UHFFFAOYSA-N 2 2 294.483 3.191 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173267494 808572401 /nfs/dbraw/zinc/57/24/01/808572401.db2.gz MLEUHQFXFLDCRE-DOTOQJQBSA-N 2 2 287.451 3.466 20 0 CGADLP Cc1[nH]c2ccc(Nc3ccn4cc[nH+]c4c3)cc2[nH+]1 ZINC001213073605 815222279 /nfs/dbraw/zinc/22/22/79/815222279.db2.gz SPVUQYUZQLVDAI-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CC)C2)C1 ZINC001275085651 808906711 /nfs/dbraw/zinc/90/67/11/808906711.db2.gz ZVVPGDGHXARYQG-OAHLLOKOSA-N 2 2 252.446 3.230 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CC)C2)C1 ZINC001275085651 808906718 /nfs/dbraw/zinc/90/67/18/808906718.db2.gz ZVVPGDGHXARYQG-OAHLLOKOSA-N 2 2 252.446 3.230 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cnc3Cl)(C1)CCC2 ZINC001275674530 808957067 /nfs/dbraw/zinc/95/70/67/808957067.db2.gz YKFDHIFKPUFNAP-LSDHHAIUSA-N 2 2 297.805 3.029 20 0 CGADLP CC(C)n1c[nH+]c2cc(Nc3cc[nH+]cc3)ccc21 ZINC001174380841 808985155 /nfs/dbraw/zinc/98/51/55/808985155.db2.gz MNEOBHKFJFTSPI-UHFFFAOYSA-N 2 2 252.321 3.178 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001276047900 808985976 /nfs/dbraw/zinc/98/59/76/808985976.db2.gz ZGXZSGXBPYKHHV-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001276047900 808985978 /nfs/dbraw/zinc/98/59/78/808985978.db2.gz ZGXZSGXBPYKHHV-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001276047900 808985980 /nfs/dbraw/zinc/98/59/80/808985980.db2.gz ZGXZSGXBPYKHHV-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001276047900 808985982 /nfs/dbraw/zinc/98/59/82/808985982.db2.gz ZGXZSGXBPYKHHV-XLIONFOSSA-N 2 2 292.426 3.490 20 0 CGADLP FC(F)(F)CCC[N@@H+]1CCC2(C[NH+](CCC3CC3)C2)C1 ZINC001276513094 809014273 /nfs/dbraw/zinc/01/42/73/809014273.db2.gz IDJNQNLLRHVXHV-UHFFFAOYSA-N 2 2 290.373 3.137 20 0 CGADLP FC(F)(F)CCC[N@H+]1CCC2(C[NH+](CCC3CC3)C2)C1 ZINC001276513094 809014280 /nfs/dbraw/zinc/01/42/80/809014280.db2.gz IDJNQNLLRHVXHV-UHFFFAOYSA-N 2 2 290.373 3.137 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cnc1C ZINC001276869774 809038771 /nfs/dbraw/zinc/03/87/71/809038771.db2.gz IEDNPIRNPDHMLO-SFHVURJKSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cnc1C ZINC001276869774 809038779 /nfs/dbraw/zinc/03/87/79/809038779.db2.gz IEDNPIRNPDHMLO-SFHVURJKSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cnc1C ZINC001276869774 809038783 /nfs/dbraw/zinc/03/87/83/809038783.db2.gz IEDNPIRNPDHMLO-SFHVURJKSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cnc1C ZINC001276869774 809038791 /nfs/dbraw/zinc/03/87/91/809038791.db2.gz IEDNPIRNPDHMLO-SFHVURJKSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1c[nH+]cc(Nc2ccccc2N2CC[NH+](C)CC2)c1C ZINC001213528355 815298554 /nfs/dbraw/zinc/29/85/54/815298554.db2.gz BWCVIQZPEXGFOQ-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC001176120557 809627879 /nfs/dbraw/zinc/62/78/79/809627879.db2.gz DVZKYAORKSRJKP-UHFFFAOYSA-N 2 2 294.358 3.387 20 0 CGADLP Nc1ccc[nH+]c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176194956 809644667 /nfs/dbraw/zinc/64/46/67/809644667.db2.gz RHBAWVHVDHMWIE-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC001177276836 809791387 /nfs/dbraw/zinc/79/13/87/809791387.db2.gz HNHWDWLJONECSV-VVLHAWIVSA-N 2 2 282.472 3.187 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC001177276836 809791388 /nfs/dbraw/zinc/79/13/88/809791388.db2.gz HNHWDWLJONECSV-VVLHAWIVSA-N 2 2 282.472 3.187 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)[nH+]c1 ZINC001177656809 809814005 /nfs/dbraw/zinc/81/40/05/809814005.db2.gz LYIZYXPHNKDDAI-MUJYYYPQSA-N 2 2 273.424 3.442 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179290774 809912607 /nfs/dbraw/zinc/91/26/07/809912607.db2.gz ATJOZPRZGNKZRK-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179290774 809912609 /nfs/dbraw/zinc/91/26/09/809912609.db2.gz ATJOZPRZGNKZRK-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC001179747962 809941688 /nfs/dbraw/zinc/94/16/88/809941688.db2.gz SREZRTUCNHETTQ-OSJSJHBBSA-N 2 2 278.415 3.405 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001184253511 810185332 /nfs/dbraw/zinc/18/53/32/810185332.db2.gz WLVJZVCGLZMBSK-CQSZACIVSA-N 2 2 274.399 3.276 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001184253511 810185337 /nfs/dbraw/zinc/18/53/37/810185337.db2.gz WLVJZVCGLZMBSK-CQSZACIVSA-N 2 2 274.399 3.276 20 0 CGADLP CCc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001184998181 810228394 /nfs/dbraw/zinc/22/83/94/810228394.db2.gz AZUTZDLTAHHEMH-HZSPNIEDSA-N 2 2 290.455 3.126 20 0 CGADLP CCc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001184998181 810228398 /nfs/dbraw/zinc/22/83/98/810228398.db2.gz AZUTZDLTAHHEMH-HZSPNIEDSA-N 2 2 290.455 3.126 20 0 CGADLP CCc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001184998183 810228541 /nfs/dbraw/zinc/22/85/41/810228541.db2.gz AZUTZDLTAHHEMH-MELADBBJSA-N 2 2 290.455 3.126 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001186633156 810352915 /nfs/dbraw/zinc/35/29/15/810352915.db2.gz OOPFDZXPDIICJK-ZDUSSCGKSA-N 2 2 278.444 3.134 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001186633156 810352918 /nfs/dbraw/zinc/35/29/18/810352918.db2.gz OOPFDZXPDIICJK-ZDUSSCGKSA-N 2 2 278.444 3.134 20 0 CGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC001199742341 811593590 /nfs/dbraw/zinc/59/35/90/811593590.db2.gz AEYJIDNJTPTCDT-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC001199742341 811593594 /nfs/dbraw/zinc/59/35/94/811593594.db2.gz AEYJIDNJTPTCDT-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001199844378 811601991 /nfs/dbraw/zinc/60/19/91/811601991.db2.gz XZISBUANFHNYBW-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001199844378 811601992 /nfs/dbraw/zinc/60/19/92/811601992.db2.gz XZISBUANFHNYBW-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC001203032331 812219755 /nfs/dbraw/zinc/21/97/55/812219755.db2.gz PGHSYXTUSRJJDX-UHFFFAOYSA-N 2 2 268.832 3.408 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1Cl ZINC001203032331 812219758 /nfs/dbraw/zinc/21/97/58/812219758.db2.gz PGHSYXTUSRJJDX-UHFFFAOYSA-N 2 2 268.832 3.408 20 0 CGADLP CC[N@H+](Cc1ccc(SC)cc1)C1CC[NH+](C)CC1 ZINC001204142671 812555584 /nfs/dbraw/zinc/55/55/84/812555584.db2.gz TYGSZLZEJLQUTE-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[N@@H+](Cc1ccc(SC)cc1)C1CC[NH+](C)CC1 ZINC001204142671 812555589 /nfs/dbraw/zinc/55/55/89/812555589.db2.gz TYGSZLZEJLQUTE-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243784 812584174 /nfs/dbraw/zinc/58/41/74/812584174.db2.gz KBNSEWFUNQTIJY-MOPGFXCFSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243784 812584179 /nfs/dbraw/zinc/58/41/79/812584179.db2.gz KBNSEWFUNQTIJY-MOPGFXCFSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243784 812584186 /nfs/dbraw/zinc/58/41/86/812584186.db2.gz KBNSEWFUNQTIJY-MOPGFXCFSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243784 812584188 /nfs/dbraw/zinc/58/41/88/812584188.db2.gz KBNSEWFUNQTIJY-MOPGFXCFSA-N 2 2 296.414 3.234 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204283879 812596542 /nfs/dbraw/zinc/59/65/42/812596542.db2.gz GUGMKYWSPFTPDF-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204283879 812596544 /nfs/dbraw/zinc/59/65/44/812596544.db2.gz GUGMKYWSPFTPDF-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)[nH]c2ccccc21 ZINC001204293118 812603141 /nfs/dbraw/zinc/60/31/41/812603141.db2.gz UXNOZGNPVIFWBO-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)[nH]c2ccccc21 ZINC001204293118 812603147 /nfs/dbraw/zinc/60/31/47/812603147.db2.gz UXNOZGNPVIFWBO-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC001204395088 812628414 /nfs/dbraw/zinc/62/84/14/812628414.db2.gz ZCROKOJHFWRFIG-MRXNPFEDSA-N 2 2 286.375 3.280 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC001204395088 812628416 /nfs/dbraw/zinc/62/84/16/812628416.db2.gz ZCROKOJHFWRFIG-MRXNPFEDSA-N 2 2 286.375 3.280 20 0 CGADLP Cc1c(C[N@H+](C)CC[NH3+])cccc1-c1ccccc1 ZINC001204699214 812711524 /nfs/dbraw/zinc/71/15/24/812711524.db2.gz IJZWVGXLEVZIFK-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1c(C[N@@H+](C)CC[NH3+])cccc1-c1ccccc1 ZINC001204699214 812711527 /nfs/dbraw/zinc/71/15/27/812711527.db2.gz IJZWVGXLEVZIFK-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204810176 812743538 /nfs/dbraw/zinc/74/35/38/812743538.db2.gz OLODJWKJRLBEBI-KRWDZBQOSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204810176 812743544 /nfs/dbraw/zinc/74/35/44/812743544.db2.gz OLODJWKJRLBEBI-KRWDZBQOSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947260 812793274 /nfs/dbraw/zinc/79/32/74/812793274.db2.gz WYBGPQWVQNGOGC-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947260 812793276 /nfs/dbraw/zinc/79/32/76/812793276.db2.gz WYBGPQWVQNGOGC-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP CCc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1Cl ZINC001205018783 812827389 /nfs/dbraw/zinc/82/73/89/812827389.db2.gz ZCUBCQSTGDFXKF-CQSZACIVSA-N 2 2 280.843 3.334 20 0 CGADLP CCc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1Cl ZINC001205018783 812827398 /nfs/dbraw/zinc/82/73/98/812827398.db2.gz ZCUBCQSTGDFXKF-CQSZACIVSA-N 2 2 280.843 3.334 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001205094958 812860286 /nfs/dbraw/zinc/86/02/86/812860286.db2.gz RNHFIANOXYXMBW-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001205094958 812860295 /nfs/dbraw/zinc/86/02/95/812860295.db2.gz RNHFIANOXYXMBW-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205196770 812905782 /nfs/dbraw/zinc/90/57/82/812905782.db2.gz AKYQCIRIUPKLGV-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205196770 812905789 /nfs/dbraw/zinc/90/57/89/812905789.db2.gz AKYQCIRIUPKLGV-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315316 812948030 /nfs/dbraw/zinc/94/80/30/812948030.db2.gz DUOVYUVSZPYIEW-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315316 812948037 /nfs/dbraw/zinc/94/80/37/812948037.db2.gz DUOVYUVSZPYIEW-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)cc2c1 ZINC001205332789 812960028 /nfs/dbraw/zinc/96/00/28/812960028.db2.gz SOPKHHPMKPJJID-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[NH2+]CC[C@@H]3C)cc2c1 ZINC001205332789 812960033 /nfs/dbraw/zinc/96/00/33/812960033.db2.gz SOPKHHPMKPJJID-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP CC[C@H]1CCCC[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001205695980 813054018 /nfs/dbraw/zinc/05/40/18/813054018.db2.gz CZJDCRRDHFLUPA-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001205695980 813054027 /nfs/dbraw/zinc/05/40/27/813054027.db2.gz CZJDCRRDHFLUPA-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP CC(C)O[C@H](C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001205709289 813057902 /nfs/dbraw/zinc/05/79/02/813057902.db2.gz WUGUEPWTXDJZOQ-QGZVFWFLSA-N 2 2 278.440 3.036 20 0 CGADLP CC(C)O[C@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001205709289 813057924 /nfs/dbraw/zinc/05/79/24/813057924.db2.gz WUGUEPWTXDJZOQ-QGZVFWFLSA-N 2 2 278.440 3.036 20 0 CGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCC1(F)F ZINC001205761476 813069059 /nfs/dbraw/zinc/06/90/59/813069059.db2.gz HBZIJDPXRAETOU-LBPRGKRZSA-N 2 2 290.304 3.040 20 0 CGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC1(F)F ZINC001205761476 813069067 /nfs/dbraw/zinc/06/90/67/813069067.db2.gz HBZIJDPXRAETOU-LBPRGKRZSA-N 2 2 290.304 3.040 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856570 813109904 /nfs/dbraw/zinc/10/99/04/813109904.db2.gz WWWZHTPCHCYEOB-PBHICJAKSA-N 2 2 260.425 3.369 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856570 813109906 /nfs/dbraw/zinc/10/99/06/813109906.db2.gz WWWZHTPCHCYEOB-PBHICJAKSA-N 2 2 260.425 3.369 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856611 813110533 /nfs/dbraw/zinc/11/05/33/813110533.db2.gz XHMFNNMOGBBUNN-WFASDCNBSA-N 2 2 278.465 3.276 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856611 813110538 /nfs/dbraw/zinc/11/05/38/813110538.db2.gz XHMFNNMOGBBUNN-WFASDCNBSA-N 2 2 278.465 3.276 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205932260 813138904 /nfs/dbraw/zinc/13/89/04/813138904.db2.gz PAEZNOSKACKVPV-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205932260 813138906 /nfs/dbraw/zinc/13/89/06/813138906.db2.gz PAEZNOSKACKVPV-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205931485 813139054 /nfs/dbraw/zinc/13/90/54/813139054.db2.gz JTCDPGFAWVPDJI-GFCCVEGCSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205931485 813139058 /nfs/dbraw/zinc/13/90/58/813139058.db2.gz JTCDPGFAWVPDJI-GFCCVEGCSA-N 2 2 277.799 3.135 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205931519 813139309 /nfs/dbraw/zinc/13/93/09/813139309.db2.gz KKSBQIYMZMSESE-CYBMUJFWSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205931519 813139311 /nfs/dbraw/zinc/13/93/11/813139311.db2.gz KKSBQIYMZMSESE-CYBMUJFWSA-N 2 2 266.454 3.404 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205933072 813140508 /nfs/dbraw/zinc/14/05/08/813140508.db2.gz XHJIHLYPCJQJGX-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001205933072 813140510 /nfs/dbraw/zinc/14/05/10/813140510.db2.gz XHJIHLYPCJQJGX-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCC2CCCC2)C1 ZINC001206334953 813292802 /nfs/dbraw/zinc/29/28/02/813292802.db2.gz BCZZXSBGKVKOGR-OAHLLOKOSA-N 2 2 256.409 3.110 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001206334953 813292808 /nfs/dbraw/zinc/29/28/08/813292808.db2.gz BCZZXSBGKVKOGR-OAHLLOKOSA-N 2 2 256.409 3.110 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001206477827 813330770 /nfs/dbraw/zinc/33/07/70/813330770.db2.gz QQVXWBVPQUTPPQ-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001206477827 813330777 /nfs/dbraw/zinc/33/07/77/813330777.db2.gz QQVXWBVPQUTPPQ-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2csc(Cl)c2)C1 ZINC001206556900 813352171 /nfs/dbraw/zinc/35/21/71/813352171.db2.gz ZKYPKHMWCBQEHG-ZDUSSCGKSA-N 2 2 272.845 3.352 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2csc(Cl)c2)C1 ZINC001206556900 813352177 /nfs/dbraw/zinc/35/21/77/813352177.db2.gz ZKYPKHMWCBQEHG-ZDUSSCGKSA-N 2 2 272.845 3.352 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001206541841 813345770 /nfs/dbraw/zinc/34/57/70/813345770.db2.gz LJNQFLJULJMIBL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001206541841 813345778 /nfs/dbraw/zinc/34/57/78/813345778.db2.gz LJNQFLJULJMIBL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP CC(C)SCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001206691410 813400095 /nfs/dbraw/zinc/40/00/95/813400095.db2.gz ITPGKZKNWOYZFL-OAHLLOKOSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)SCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001206691410 813400097 /nfs/dbraw/zinc/40/00/97/813400097.db2.gz ITPGKZKNWOYZFL-OAHLLOKOSA-N 2 2 270.486 3.125 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ncccc1F ZINC001207034438 813469600 /nfs/dbraw/zinc/46/96/00/813469600.db2.gz QNRNTWRNJUBZAI-LSDHHAIUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ncccc1F ZINC001207034438 813469601 /nfs/dbraw/zinc/46/96/01/813469601.db2.gz QNRNTWRNJUBZAI-LSDHHAIUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ncccc1F ZINC001207034438 813469605 /nfs/dbraw/zinc/46/96/05/813469605.db2.gz QNRNTWRNJUBZAI-LSDHHAIUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ncccc1F ZINC001207034438 813469609 /nfs/dbraw/zinc/46/96/09/813469609.db2.gz QNRNTWRNJUBZAI-LSDHHAIUSA-N 2 2 291.414 3.060 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191958 813511980 /nfs/dbraw/zinc/51/19/80/813511980.db2.gz NXYWSIYDNBSPFV-PBHICJAKSA-N 2 2 290.838 3.224 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191958 813511984 /nfs/dbraw/zinc/51/19/84/813511984.db2.gz NXYWSIYDNBSPFV-PBHICJAKSA-N 2 2 290.838 3.224 20 0 CGADLP COc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001207584377 813600197 /nfs/dbraw/zinc/60/01/97/813600197.db2.gz BZORTVXKCYXXSG-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)no1 ZINC001208181983 813733394 /nfs/dbraw/zinc/73/33/94/813733394.db2.gz IIYFORIBTTTYJE-INIZCTEOSA-N 2 2 291.439 3.242 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)no1 ZINC001208181983 813733399 /nfs/dbraw/zinc/73/33/99/813733399.db2.gz IIYFORIBTTTYJE-INIZCTEOSA-N 2 2 291.439 3.242 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H]2c2nccs2)CCCC1 ZINC001208185849 813735126 /nfs/dbraw/zinc/73/51/26/813735126.db2.gz JDOIYCLDZQCPLM-CQSZACIVSA-N 2 2 293.480 3.402 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCC[C@@H]2c2nccs2)CCCC1 ZINC001208185849 813735128 /nfs/dbraw/zinc/73/51/28/813735128.db2.gz JDOIYCLDZQCPLM-CQSZACIVSA-N 2 2 293.480 3.402 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC001209737301 814124631 /nfs/dbraw/zinc/12/46/31/814124631.db2.gz JUKHDWUDRZZRSM-MRXNPFEDSA-N 2 2 259.397 3.039 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001209737301 814124636 /nfs/dbraw/zinc/12/46/36/814124636.db2.gz JUKHDWUDRZZRSM-MRXNPFEDSA-N 2 2 259.397 3.039 20 0 CGADLP CCCc1cc[nH+]c(Nc2cccc(C[NH2+]C)c2)c1 ZINC001211137934 814837078 /nfs/dbraw/zinc/83/70/78/814837078.db2.gz CVROSGKRLSKBKA-UHFFFAOYSA-N 2 2 255.365 3.497 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001222243123 816385363 /nfs/dbraw/zinc/38/53/63/816385363.db2.gz ITXABEIFQUPZPO-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001222243123 816385370 /nfs/dbraw/zinc/38/53/70/816385370.db2.gz ITXABEIFQUPZPO-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001222272251 816392301 /nfs/dbraw/zinc/39/23/01/816392301.db2.gz OYJQRSNLYKFWCS-HNNXBMFYSA-N 2 2 296.505 3.436 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001222272251 816392307 /nfs/dbraw/zinc/39/23/07/816392307.db2.gz OYJQRSNLYKFWCS-HNNXBMFYSA-N 2 2 296.505 3.436 20 0 CGADLP COc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222395271 816430808 /nfs/dbraw/zinc/43/08/08/816430808.db2.gz JNNBUEWSBONTMP-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222395271 816430810 /nfs/dbraw/zinc/43/08/10/816430810.db2.gz JNNBUEWSBONTMP-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c2c1 ZINC001222426537 816442946 /nfs/dbraw/zinc/44/29/46/816442946.db2.gz FKBUQCIBWFFRQS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c2c1 ZINC001222426537 816442949 /nfs/dbraw/zinc/44/29/49/816442949.db2.gz FKBUQCIBWFFRQS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436134 816445245 /nfs/dbraw/zinc/44/52/45/816445245.db2.gz VPPWGCRARMLMLH-GOSISDBHSA-N 2 2 272.436 3.275 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436134 816445251 /nfs/dbraw/zinc/44/52/51/816445251.db2.gz VPPWGCRARMLMLH-GOSISDBHSA-N 2 2 272.436 3.275 20 0 CGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC2(C[NH2+]C2)C1 ZINC001222460877 816450114 /nfs/dbraw/zinc/45/01/14/816450114.db2.gz HGRPAZNSRWESCU-OAHLLOKOSA-N 2 2 286.463 3.068 20 0 CGADLP C[NH2+]Cc1ccc(-c2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001242991044 823200086 /nfs/dbraw/zinc/20/00/86/823200086.db2.gz HTJMAQFXZYRTJP-UHFFFAOYSA-N 2 2 281.403 3.458 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc3[nH+]c(C)cn3c2)c1 ZINC001242998021 823205133 /nfs/dbraw/zinc/20/51/33/823205133.db2.gz ZDFODLQCLMAQCK-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP COc1cc(C)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243246671 823311715 /nfs/dbraw/zinc/31/17/15/823311715.db2.gz ZVPSQVSTKQCWOM-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001243246671 823311721 /nfs/dbraw/zinc/31/17/21/823311721.db2.gz ZVPSQVSTKQCWOM-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP CC[N@H+](Cc1ccc(C(F)(F)F)o1)C1CC[NH+](C)CC1 ZINC001232444102 818351606 /nfs/dbraw/zinc/35/16/06/818351606.db2.gz OIAQOGSZUISWMV-UHFFFAOYSA-N 2 2 290.329 3.215 20 0 CGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)o1)C1CC[NH+](C)CC1 ZINC001232444102 818351609 /nfs/dbraw/zinc/35/16/09/818351609.db2.gz OIAQOGSZUISWMV-UHFFFAOYSA-N 2 2 290.329 3.215 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235005036 818976017 /nfs/dbraw/zinc/97/60/17/818976017.db2.gz VTIBLAHPQYGTCT-JVPBZIDWSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235005036 818976022 /nfs/dbraw/zinc/97/60/22/818976022.db2.gz VTIBLAHPQYGTCT-JVPBZIDWSA-N 2 2 280.415 3.380 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(C)c1C ZINC001235045223 818990506 /nfs/dbraw/zinc/99/05/06/818990506.db2.gz QCNJEIHZECLMEJ-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(C)c1C ZINC001235045223 818990510 /nfs/dbraw/zinc/99/05/10/818990510.db2.gz QCNJEIHZECLMEJ-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110120 819005503 /nfs/dbraw/zinc/00/55/03/819005503.db2.gz IXXQRIXUDSAYCT-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110120 819005507 /nfs/dbraw/zinc/00/55/07/819005507.db2.gz IXXQRIXUDSAYCT-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235110083 819005663 /nfs/dbraw/zinc/00/56/63/819005663.db2.gz IILMVGZILINHOT-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235110083 819005670 /nfs/dbraw/zinc/00/56/70/819005670.db2.gz IILMVGZILINHOT-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(C)c1Cl ZINC001235111196 819006692 /nfs/dbraw/zinc/00/66/92/819006692.db2.gz PUUXLYWZPLRVSD-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113479 819009411 /nfs/dbraw/zinc/00/94/11/819009411.db2.gz CMXMPDCEUFVQOA-MSOLQXFVSA-N 2 2 294.483 3.213 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113479 819009414 /nfs/dbraw/zinc/00/94/14/819009414.db2.gz CMXMPDCEUFVQOA-MSOLQXFVSA-N 2 2 294.483 3.213 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235146855 819017212 /nfs/dbraw/zinc/01/72/12/819017212.db2.gz NKCFPVZXBGGBNX-YJBOKZPZSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235146855 819017218 /nfs/dbraw/zinc/01/72/18/819017218.db2.gz NKCFPVZXBGGBNX-YJBOKZPZSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235152403 819018122 /nfs/dbraw/zinc/01/81/22/819018122.db2.gz MQAMWRLNVMEPAU-PMACEKPBSA-N 2 2 292.426 3.005 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccccc1CCc1ccccc1)C2 ZINC001235152403 819018125 /nfs/dbraw/zinc/01/81/25/819018125.db2.gz MQAMWRLNVMEPAU-PMACEKPBSA-N 2 2 292.426 3.005 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@@]13CCC[NH2+]C3)CCCN2 ZINC001235179017 819025628 /nfs/dbraw/zinc/02/56/28/819025628.db2.gz QLFVRWCRNZJDTF-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCCC[C@@]13CCC[NH2+]C3)CCCN2 ZINC001235179017 819025636 /nfs/dbraw/zinc/02/56/36/819025636.db2.gz QLFVRWCRNZJDTF-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc12 ZINC001235256196 819052260 /nfs/dbraw/zinc/05/22/60/819052260.db2.gz GEHOTFICJGTPMQ-PBHICJAKSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc12 ZINC001235256196 819052265 /nfs/dbraw/zinc/05/22/65/819052265.db2.gz GEHOTFICJGTPMQ-PBHICJAKSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)ccc1-2 ZINC001235258942 819053110 /nfs/dbraw/zinc/05/31/10/819053110.db2.gz LMXMSBBYHGHHOH-FXAWDEMLSA-N 2 2 290.410 3.052 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)ccc1-2 ZINC001235258942 819053118 /nfs/dbraw/zinc/05/31/18/819053118.db2.gz LMXMSBBYHGHHOH-FXAWDEMLSA-N 2 2 290.410 3.052 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001235362806 819080508 /nfs/dbraw/zinc/08/05/08/819080508.db2.gz NTNMDNTUKAEPOZ-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001235362806 819080514 /nfs/dbraw/zinc/08/05/14/819080514.db2.gz NTNMDNTUKAEPOZ-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001235672314 819133339 /nfs/dbraw/zinc/13/33/39/819133339.db2.gz AXQCFLCDYWPJPW-LLVKDONJSA-N 2 2 287.234 3.207 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001235672314 819133342 /nfs/dbraw/zinc/13/33/42/819133342.db2.gz AXQCFLCDYWPJPW-LLVKDONJSA-N 2 2 287.234 3.207 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235677009 819137359 /nfs/dbraw/zinc/13/73/59/819137359.db2.gz WALDNJAOLBPAHM-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235677009 819137363 /nfs/dbraw/zinc/13/73/63/819137363.db2.gz WALDNJAOLBPAHM-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP C[NH2+]CC[NH+]1CCC(CCc2ccc(Cl)cc2)CC1 ZINC001235695163 819145745 /nfs/dbraw/zinc/14/57/45/819145745.db2.gz PREFIMWWTPTMIE-UHFFFAOYSA-N 2 2 280.843 3.204 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCCC3(C[NH2+]C3)C2)c(Cl)c1 ZINC001235710537 819146701 /nfs/dbraw/zinc/14/67/01/819146701.db2.gz AHOUVEYKIMBRES-UHFFFAOYSA-N 2 2 299.245 3.221 20 0 CGADLP Clc1ccc(CC[N@H+]2CCCC3(C[NH2+]C3)C2)c(Cl)c1 ZINC001235710537 819146704 /nfs/dbraw/zinc/14/67/04/819146704.db2.gz AHOUVEYKIMBRES-UHFFFAOYSA-N 2 2 299.245 3.221 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001235727673 819154561 /nfs/dbraw/zinc/15/45/61/819154561.db2.gz VVEBMMXNATZJJI-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001235727673 819154566 /nfs/dbraw/zinc/15/45/66/819154566.db2.gz VVEBMMXNATZJJI-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235938003 819233166 /nfs/dbraw/zinc/23/31/66/819233166.db2.gz KJVNACINKGVVKP-NEPJUHHUSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235938003 819233172 /nfs/dbraw/zinc/23/31/72/819233172.db2.gz KJVNACINKGVVKP-NEPJUHHUSA-N 2 2 299.245 3.343 20 0 CGADLP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001235956219 819243879 /nfs/dbraw/zinc/24/38/79/819243879.db2.gz ATWRNGAJUVDDIO-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001235956219 819243881 /nfs/dbraw/zinc/24/38/81/819243881.db2.gz ATWRNGAJUVDDIO-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050379 819287715 /nfs/dbraw/zinc/28/77/15/819287715.db2.gz RLDIYRPUHMNXHL-GXTWGEPZSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050379 819287718 /nfs/dbraw/zinc/28/77/18/819287718.db2.gz RLDIYRPUHMNXHL-GXTWGEPZSA-N 2 2 272.367 3.148 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236058726 819292922 /nfs/dbraw/zinc/29/29/22/819292922.db2.gz ATGSGRJCBDQOQZ-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236058726 819292928 /nfs/dbraw/zinc/29/29/28/819292928.db2.gz ATGSGRJCBDQOQZ-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061115 819294386 /nfs/dbraw/zinc/29/43/86/819294386.db2.gz VHMHJVWNAGRBBL-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061115 819294395 /nfs/dbraw/zinc/29/43/95/819294395.db2.gz VHMHJVWNAGRBBL-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236108644 819324072 /nfs/dbraw/zinc/32/40/72/819324072.db2.gz LVMXFUVUGZLMCP-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236108644 819324074 /nfs/dbraw/zinc/32/40/74/819324074.db2.gz LVMXFUVUGZLMCP-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236172627 819354194 /nfs/dbraw/zinc/35/41/94/819354194.db2.gz NTNMDNTUKAEPOZ-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001236172627 819354200 /nfs/dbraw/zinc/35/42/00/819354200.db2.gz NTNMDNTUKAEPOZ-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204783 819367615 /nfs/dbraw/zinc/36/76/15/819367615.db2.gz BZAIRQLJTDZLTJ-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204783 819367620 /nfs/dbraw/zinc/36/76/20/819367620.db2.gz BZAIRQLJTDZLTJ-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236208141 819370902 /nfs/dbraw/zinc/37/09/02/819370902.db2.gz SQPOEODMIGSJBW-GOSISDBHSA-N 2 2 274.452 3.459 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236208141 819370907 /nfs/dbraw/zinc/37/09/07/819370907.db2.gz SQPOEODMIGSJBW-GOSISDBHSA-N 2 2 274.452 3.459 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214721 819379163 /nfs/dbraw/zinc/37/91/63/819379163.db2.gz DWMMKFVVJYANFS-LSDHHAIUSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236214721 819379171 /nfs/dbraw/zinc/37/91/71/819379171.db2.gz DWMMKFVVJYANFS-LSDHHAIUSA-N 2 2 282.815 3.050 20 0 CGADLP C[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216704 819379978 /nfs/dbraw/zinc/37/99/78/819379978.db2.gz LSJOVDDACQKXSW-CABCVRRESA-N 2 2 275.371 3.009 20 0 CGADLP C[N@@H+](Cc1cc2cccc(F)c2[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216704 819379983 /nfs/dbraw/zinc/37/99/83/819379983.db2.gz LSJOVDDACQKXSW-CABCVRRESA-N 2 2 275.371 3.009 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215730 819380464 /nfs/dbraw/zinc/38/04/64/819380464.db2.gz IKIYECYMPXILKN-UONOGXRCSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215730 819380470 /nfs/dbraw/zinc/38/04/70/819380470.db2.gz IKIYECYMPXILKN-UONOGXRCSA-N 2 2 264.438 3.110 20 0 CGADLP Cc1c(F)ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236226495 819392270 /nfs/dbraw/zinc/39/22/70/819392270.db2.gz MSYWJRAZRDHFQJ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1c(F)ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236226495 819392277 /nfs/dbraw/zinc/39/22/77/819392277.db2.gz MSYWJRAZRDHFQJ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Fc1ccc(CC[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236237366 819396868 /nfs/dbraw/zinc/39/68/68/819396868.db2.gz QESHKYWHOSNVJN-OAHLLOKOSA-N 2 2 296.817 3.238 20 0 CGADLP Fc1ccc(CC[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236237366 819396884 /nfs/dbraw/zinc/39/68/84/819396884.db2.gz QESHKYWHOSNVJN-OAHLLOKOSA-N 2 2 296.817 3.238 20 0 CGADLP Cc1ccnc2cccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c12 ZINC001236242730 819401558 /nfs/dbraw/zinc/40/15/58/819401558.db2.gz YITUTXSOOZRNGZ-QGZVFWFLSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c12 ZINC001236242730 819401560 /nfs/dbraw/zinc/40/15/60/819401560.db2.gz YITUTXSOOZRNGZ-QGZVFWFLSA-N 2 2 295.430 3.260 20 0 CGADLP CC[NH2+]CC[N@@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236245313 819403239 /nfs/dbraw/zinc/40/32/39/819403239.db2.gz SMANCZBASAVJKP-KRWDZBQOSA-N 2 2 260.425 3.440 20 0 CGADLP CC[NH2+]CC[N@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001236245313 819403240 /nfs/dbraw/zinc/40/32/40/819403240.db2.gz SMANCZBASAVJKP-KRWDZBQOSA-N 2 2 260.425 3.440 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236418237 819464568 /nfs/dbraw/zinc/46/45/68/819464568.db2.gz ZZJNPGGLDJWVAT-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236418237 819464571 /nfs/dbraw/zinc/46/45/71/819464571.db2.gz ZZJNPGGLDJWVAT-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc(C)c1OC(C)C ZINC001236420915 819467204 /nfs/dbraw/zinc/46/72/04/819467204.db2.gz RCBWQWXUBTZLOB-DOTOQJQBSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc(C)c1OC(C)C ZINC001236420915 819467207 /nfs/dbraw/zinc/46/72/07/819467207.db2.gz RCBWQWXUBTZLOB-DOTOQJQBSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236468029 819488942 /nfs/dbraw/zinc/48/89/42/819488942.db2.gz DFYRHQHJFLNUDP-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236468029 819488946 /nfs/dbraw/zinc/48/89/46/819488946.db2.gz DFYRHQHJFLNUDP-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236473507 819492689 /nfs/dbraw/zinc/49/26/89/819492689.db2.gz KBGJRXHMZHLOFL-MRXNPFEDSA-N 2 2 278.415 3.344 20 0 CGADLP Cc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236473507 819492694 /nfs/dbraw/zinc/49/26/94/819492694.db2.gz KBGJRXHMZHLOFL-MRXNPFEDSA-N 2 2 278.415 3.344 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521551 819514561 /nfs/dbraw/zinc/51/45/61/819514561.db2.gz DYHMKACAIPCWAU-SJLPKXTDSA-N 2 2 272.436 3.440 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521551 819514570 /nfs/dbraw/zinc/51/45/70/819514570.db2.gz DYHMKACAIPCWAU-SJLPKXTDSA-N 2 2 272.436 3.440 20 0 CGADLP [NH3+]CC[N@H+](CCCc1ccc(F)cc1)Cc1ccccc1 ZINC001236522413 819514684 /nfs/dbraw/zinc/51/46/84/819514684.db2.gz NXUNFQNNVWVAIK-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP [NH3+]CC[N@@H+](CCCc1ccc(F)cc1)Cc1ccccc1 ZINC001236522413 819514690 /nfs/dbraw/zinc/51/46/90/819514690.db2.gz NXUNFQNNVWVAIK-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236525718 819517068 /nfs/dbraw/zinc/51/70/68/819517068.db2.gz BTRLAGHPDZWZSJ-IBGZPJMESA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236525718 819517072 /nfs/dbraw/zinc/51/70/72/819517072.db2.gz BTRLAGHPDZWZSJ-IBGZPJMESA-N 2 2 295.430 3.321 20 0 CGADLP Oc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599514 819548669 /nfs/dbraw/zinc/54/86/69/819548669.db2.gz RUEYKOIDIIXDBT-GFCCVEGCSA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599514 819548673 /nfs/dbraw/zinc/54/86/73/819548673.db2.gz RUEYKOIDIIXDBT-GFCCVEGCSA-N 2 2 294.826 3.010 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236894944 819633652 /nfs/dbraw/zinc/63/36/52/819633652.db2.gz GWGQTXPEWBRBMB-LBPRGKRZSA-N 2 2 273.424 3.244 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236894944 819633654 /nfs/dbraw/zinc/63/36/54/819633654.db2.gz GWGQTXPEWBRBMB-LBPRGKRZSA-N 2 2 273.424 3.244 20 0 CGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCCC1 ZINC001236914583 819637126 /nfs/dbraw/zinc/63/71/26/819637126.db2.gz YMNLHYOFUZTZGT-UHFFFAOYSA-N 2 2 261.756 3.122 20 0 CGADLP Cc1ccccc1C[N@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238102847 819933435 /nfs/dbraw/zinc/93/34/35/819933435.db2.gz DFOGZRWRYQGLED-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+](C)Cc1cccc2c[nH+]cn21 ZINC001238102847 819933440 /nfs/dbraw/zinc/93/34/40/819933440.db2.gz DFOGZRWRYQGLED-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111273 819936287 /nfs/dbraw/zinc/93/62/87/819936287.db2.gz STEGCWDFBVLEGD-CQSZACIVSA-N 2 2 277.371 3.281 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111273 819936291 /nfs/dbraw/zinc/93/62/91/819936291.db2.gz STEGCWDFBVLEGD-CQSZACIVSA-N 2 2 277.371 3.281 20 0 CGADLP O=C1CCC2(CC1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238111704 819936625 /nfs/dbraw/zinc/93/66/25/819936625.db2.gz WMMFVNKEUBPNPZ-UHFFFAOYSA-N 2 2 297.402 3.060 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC001239657466 820494618 /nfs/dbraw/zinc/49/46/18/820494618.db2.gz LCIQMYZRDQQJQH-QGZVFWFLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC001239657466 820494623 /nfs/dbraw/zinc/49/46/23/820494623.db2.gz LCIQMYZRDQQJQH-QGZVFWFLSA-N 2 2 288.341 3.165 20 0 CGADLP Cc1cc(-c2ccccc2C[NH+](C)C)c2[nH+]ccn2c1 ZINC001239684182 820520174 /nfs/dbraw/zinc/52/01/74/820520174.db2.gz LIIFPLPDLOTZKJ-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1C ZINC001239714945 820541771 /nfs/dbraw/zinc/54/17/71/820541771.db2.gz AIXZCPZKCABFHZ-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccnc2C2CC2)C1 ZINC001243691722 823487712 /nfs/dbraw/zinc/48/77/12/823487712.db2.gz VADGOTPDCFURGS-MRXNPFEDSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2C2CC2)C1 ZINC001243691722 823487717 /nfs/dbraw/zinc/48/77/17/823487717.db2.gz VADGOTPDCFURGS-MRXNPFEDSA-N 2 2 293.414 3.159 20 0 CGADLP c1cn2cc(-c3cc(C[NH+]4CCCCC4)ccn3)ccc2[nH+]1 ZINC001240215589 820886199 /nfs/dbraw/zinc/88/61/99/820886199.db2.gz ZQXPHZWLHWGUSL-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP c1cn(Cc2ccccc2-c2ccc3c(c2)CC[NH2+]C3)c[nH+]1 ZINC001240456261 821067142 /nfs/dbraw/zinc/06/71/42/821067142.db2.gz GEVRVRVIBFUCLN-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP COCc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001240953994 821440357 /nfs/dbraw/zinc/44/03/57/821440357.db2.gz XGXFNBXOOZVNCE-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001240953994 821440359 /nfs/dbraw/zinc/44/03/59/821440359.db2.gz XGXFNBXOOZVNCE-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c(C)[nH+]1 ZINC001351292907 937014269 /nfs/dbraw/zinc/01/42/69/937014269.db2.gz AFJIRPKIEFBJSK-HSOHIQCKSA-N 2 2 285.391 3.069 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001473894200 937828480 /nfs/dbraw/zinc/82/84/80/937828480.db2.gz HYPWJFUEKWXMOP-UHFFFAOYSA-N 2 2 261.413 3.036 20 0 CGADLP CCc1nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)cc(C)[nH+]1 ZINC001155906741 931977051 /nfs/dbraw/zinc/97/70/51/931977051.db2.gz DQXRTOYZCCGSIU-UHFFFAOYSA-N 2 2 294.402 3.367 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001461046338 937561277 /nfs/dbraw/zinc/56/12/77/937561277.db2.gz YSWZRQBHAKUXPX-SJORKVTESA-N 2 2 264.457 3.300 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC001462200118 937624504 /nfs/dbraw/zinc/62/45/04/937624504.db2.gz NUWZUBWYWKDCTB-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC001462200118 937624506 /nfs/dbraw/zinc/62/45/06/937624506.db2.gz NUWZUBWYWKDCTB-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(CC(C)C)nc1 ZINC001462198158 937624570 /nfs/dbraw/zinc/62/45/70/937624570.db2.gz JJLKYEHUWZDBAU-UHFFFAOYSA-N 2 2 277.456 3.054 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC(C)C)nc1 ZINC001462198158 937624572 /nfs/dbraw/zinc/62/45/72/937624572.db2.gz JJLKYEHUWZDBAU-UHFFFAOYSA-N 2 2 277.456 3.054 20 0 CGADLP CCc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001307397876 932947492 /nfs/dbraw/zinc/94/74/92/932947492.db2.gz WZYMKERLFPVKNX-UHFFFAOYSA-N 2 2 283.419 3.480 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001308224191 933074841 /nfs/dbraw/zinc/07/48/41/933074841.db2.gz PTMMGLUDLFAXTA-HIFRSBDPSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001308292653 933089728 /nfs/dbraw/zinc/08/97/28/933089728.db2.gz KNQDYYZJWDOQOG-INIZCTEOSA-N 2 2 260.425 3.186 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001308292653 933089733 /nfs/dbraw/zinc/08/97/33/933089733.db2.gz KNQDYYZJWDOQOG-INIZCTEOSA-N 2 2 260.425 3.186 20 0 CGADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(C)c1 ZINC001308297352 933091040 /nfs/dbraw/zinc/09/10/40/933091040.db2.gz GBBFVTFWKHWOHR-UHFFFAOYSA-N 2 2 269.392 3.290 20 0 CGADLP Cc1n[nH]c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001308360679 933101172 /nfs/dbraw/zinc/10/11/72/933101172.db2.gz OHSRGYAHTSNCOM-CQSZACIVSA-N 2 2 295.390 3.063 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C ZINC001308395134 933104686 /nfs/dbraw/zinc/10/46/86/933104686.db2.gz KBFMKGYNVDEZAY-AIANPOQGSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C[C@H]1C ZINC001308395134 933104689 /nfs/dbraw/zinc/10/46/89/933104689.db2.gz KBFMKGYNVDEZAY-AIANPOQGSA-N 2 2 264.457 3.418 20 0 CGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NC(C)C ZINC001308507655 933123212 /nfs/dbraw/zinc/12/32/12/933123212.db2.gz HDETWFLASURRCP-UHFFFAOYSA-N 2 2 274.412 3.198 20 0 CGADLP CCNc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001308601595 933140212 /nfs/dbraw/zinc/14/02/12/933140212.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001308601595 933140213 /nfs/dbraw/zinc/14/02/13/933140213.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001308601595 933140216 /nfs/dbraw/zinc/14/02/16/933140216.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001308601595 933140217 /nfs/dbraw/zinc/14/02/17/933140217.db2.gz UYGZHDJCNVBWFO-HOCLYGCPSA-N 2 2 275.440 3.033 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308841268 933188225 /nfs/dbraw/zinc/18/82/25/933188225.db2.gz VPFWSBKOXBEMAD-NZSAHSFTSA-N 2 2 284.447 3.323 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308841268 933188227 /nfs/dbraw/zinc/18/82/27/933188227.db2.gz VPFWSBKOXBEMAD-NZSAHSFTSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CCC2 ZINC001308866531 933193144 /nfs/dbraw/zinc/19/31/44/933193144.db2.gz UTOPZWDWNADTAC-HZPDHXFCSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366019 934492735 /nfs/dbraw/zinc/49/27/35/934492735.db2.gz UUIMIMOTEHAWJB-ZBFHGGJFSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366019 934492738 /nfs/dbraw/zinc/49/27/38/934492738.db2.gz UUIMIMOTEHAWJB-ZBFHGGJFSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366019 934492744 /nfs/dbraw/zinc/49/27/44/934492744.db2.gz UUIMIMOTEHAWJB-ZBFHGGJFSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366019 934492748 /nfs/dbraw/zinc/49/27/48/934492748.db2.gz UUIMIMOTEHAWJB-ZBFHGGJFSA-N 2 2 275.440 3.128 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(Cl)c1Cl ZINC001331420310 935377763 /nfs/dbraw/zinc/37/77/63/935377763.db2.gz VMEYBKWETFJJPO-SECBINFHSA-N 2 2 261.196 3.081 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC001335477596 936147759 /nfs/dbraw/zinc/14/77/59/936147759.db2.gz BKASSTJTSWADKY-UHFFFAOYSA-N 2 2 281.444 3.144 20 0 CGADLP CCC1([NH+]2CCCC2)CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001336703897 936208166 /nfs/dbraw/zinc/20/81/66/936208166.db2.gz XKPVHGHHDCYLTO-UHFFFAOYSA-N 2 2 291.414 3.374 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337806025 936290137 /nfs/dbraw/zinc/29/01/37/936290137.db2.gz OSEOLYVXYGVKNC-ZWMNYZCKSA-N 2 2 276.811 3.200 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001473856758 937825259 /nfs/dbraw/zinc/82/52/59/937825259.db2.gz RPICSXVAXPUFCM-IRXDYDNUSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001473856758 937825261 /nfs/dbraw/zinc/82/52/61/937825261.db2.gz RPICSXVAXPUFCM-IRXDYDNUSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+](C)C ZINC001473924873 937830383 /nfs/dbraw/zinc/83/03/83/937830383.db2.gz OHBRWJUTMKZFKL-MOPGFXCFSA-N 2 2 288.479 3.500 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]CC(C)(C)c1ccccc1 ZINC001473993879 937834523 /nfs/dbraw/zinc/83/45/23/937834523.db2.gz PLVQBBNNBFYKHW-UHFFFAOYSA-N 2 2 262.441 3.286 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]CC(C)(C)c1ccccc1 ZINC001473993879 937834524 /nfs/dbraw/zinc/83/45/24/937834524.db2.gz PLVQBBNNBFYKHW-UHFFFAOYSA-N 2 2 262.441 3.286 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCC1 ZINC001474450015 937860347 /nfs/dbraw/zinc/86/03/47/937860347.db2.gz DXLUXVIWNCGDAB-UONOGXRCSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001548926839 938153990 /nfs/dbraw/zinc/15/39/90/938153990.db2.gz XJRKAMDSCGQXTE-SKDZVZGDSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001548926839 938153991 /nfs/dbraw/zinc/15/39/91/938153991.db2.gz XJRKAMDSCGQXTE-SKDZVZGDSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccsc1 ZINC001551377363 938180405 /nfs/dbraw/zinc/18/04/05/938180405.db2.gz HMJLYIKFNUEBIA-LKTVYLICSA-N 2 2 258.390 3.023 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001551403058 938181765 /nfs/dbraw/zinc/18/17/65/938181765.db2.gz QWTUOFNVGCKPDY-JKSUJKDBSA-N 2 2 288.341 3.339 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001552313488 938191105 /nfs/dbraw/zinc/19/11/05/938191105.db2.gz FJJPMYBFMNGVJG-XJFOESAGSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001552313488 938191106 /nfs/dbraw/zinc/19/11/06/938191106.db2.gz FJJPMYBFMNGVJG-XJFOESAGSA-N 2 2 290.373 3.324 20 0 CGADLP Cc1cccn2c(CNc3ccc([C@@H]4C[C@@H]4[NH3+])cc3)c[nH+]c12 ZINC001553857627 938201073 /nfs/dbraw/zinc/20/10/73/938201073.db2.gz CJJXLRLUFMQUME-IRXDYDNUSA-N 2 2 292.386 3.069 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001560245477 938249101 /nfs/dbraw/zinc/24/91/01/938249101.db2.gz BQIXLORHWSGQRX-IAGOWNOFSA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001560245477 938249102 /nfs/dbraw/zinc/24/91/02/938249102.db2.gz BQIXLORHWSGQRX-IAGOWNOFSA-N 2 2 296.499 3.149 20 0 CGADLP COCc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC001560311260 938252577 /nfs/dbraw/zinc/25/25/77/938252577.db2.gz NHTIZBJTKJOQJK-UHFFFAOYSA-N 2 2 299.418 3.210 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC001560837525 938278786 /nfs/dbraw/zinc/27/87/86/938278786.db2.gz UKEBSSIODOAKGF-KBPBESRZSA-N 2 2 280.481 3.269 20 0 CGADLP CCCC[C@H](CC)CCC[N@H+](C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC001577388258 960475761 /nfs/dbraw/zinc/47/57/61/960475761.db2.gz MPNGKSQSQJFKOS-YESZJQIVSA-N 2 2 284.488 3.028 20 0 CGADLP CCCC[C@H](CC)CCC[N@@H+](C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC001577388258 960475770 /nfs/dbraw/zinc/47/57/70/960475770.db2.gz MPNGKSQSQJFKOS-YESZJQIVSA-N 2 2 284.488 3.028 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001576157404 960477447 /nfs/dbraw/zinc/47/74/47/960477447.db2.gz QIUXVZGDFMSFFD-AAEUAGOBSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001576157404 960477454 /nfs/dbraw/zinc/47/74/54/960477454.db2.gz QIUXVZGDFMSFFD-AAEUAGOBSA-N 2 2 266.816 3.255 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001575499563 962380130 /nfs/dbraw/zinc/38/01/30/962380130.db2.gz ULEINLLJUNKHTC-QMCVQRASSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576301675 962445044 /nfs/dbraw/zinc/44/50/44/962445044.db2.gz QHTXHRHYECWEIQ-UTUOFQBUSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576301675 962445055 /nfs/dbraw/zinc/44/50/55/962445055.db2.gz QHTXHRHYECWEIQ-UTUOFQBUSA-N 2 2 282.790 3.081 20 0 CGADLP Cc1cc(NC[C@@H]([NH3+])c2ccccc2)nc(C2CCC2)[nH+]1 ZINC001579636280 962645127 /nfs/dbraw/zinc/64/51/27/962645127.db2.gz ZHWWINIOIYSHTH-OAHLLOKOSA-N 2 2 282.391 3.164 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390995 214048095 /nfs/dbraw/zinc/04/80/95/214048095.db2.gz NORIDULQWDWNSB-RBSFLKMASA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390995 214048097 /nfs/dbraw/zinc/04/80/97/214048097.db2.gz NORIDULQWDWNSB-RBSFLKMASA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390993 214049080 /nfs/dbraw/zinc/04/90/80/214049080.db2.gz NORIDULQWDWNSB-KFWWJZLASA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390993 214049081 /nfs/dbraw/zinc/04/90/81/214049081.db2.gz NORIDULQWDWNSB-KFWWJZLASA-N 2 2 273.424 3.055 20 0 CGADLP CCCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000621328118 349496596 /nfs/dbraw/zinc/49/65/96/349496596.db2.gz HCSHAOWMBMCBOC-GFCCVEGCSA-N 2 2 263.410 3.075 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000621340134 349500574 /nfs/dbraw/zinc/50/05/74/349500574.db2.gz XUCPXURNPBCZEW-OLZOCXBDSA-N 2 2 278.465 3.415 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000621340134 349500578 /nfs/dbraw/zinc/50/05/78/349500578.db2.gz XUCPXURNPBCZEW-OLZOCXBDSA-N 2 2 278.465 3.415 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000621340914 349501248 /nfs/dbraw/zinc/50/12/48/349501248.db2.gz WCNOATUOLUBPFL-BLLLJJGKSA-N 2 2 278.465 3.273 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000621340914 349501251 /nfs/dbraw/zinc/50/12/51/349501251.db2.gz WCNOATUOLUBPFL-BLLLJJGKSA-N 2 2 278.465 3.273 20 0 CGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000095937455 185034315 /nfs/dbraw/zinc/03/43/15/185034315.db2.gz VQEIBUHSCRFCOI-OAHLLOKOSA-N 2 2 298.352 3.423 20 0 CGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000095937455 185034317 /nfs/dbraw/zinc/03/43/17/185034317.db2.gz VQEIBUHSCRFCOI-OAHLLOKOSA-N 2 2 298.352 3.423 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337673984 214210324 /nfs/dbraw/zinc/21/03/24/214210324.db2.gz WPAFGSIFVAMLDR-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337673984 214210325 /nfs/dbraw/zinc/21/03/25/214210325.db2.gz WPAFGSIFVAMLDR-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000621733647 349572935 /nfs/dbraw/zinc/57/29/35/349572935.db2.gz SRUHFIHXJDUICU-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777966 349585007 /nfs/dbraw/zinc/58/50/07/349585007.db2.gz JFWNQRYNBMILDM-TZMCWYRMSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777966 349585010 /nfs/dbraw/zinc/58/50/10/349585010.db2.gz JFWNQRYNBMILDM-TZMCWYRMSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780435 349585503 /nfs/dbraw/zinc/58/55/03/349585503.db2.gz RMXWMAUXRLOTKO-UONOGXRCSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780435 349585506 /nfs/dbraw/zinc/58/55/06/349585506.db2.gz RMXWMAUXRLOTKO-UONOGXRCSA-N 2 2 284.325 3.019 20 0 CGADLP c1c2cnccc2oc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000651699648 398271390 /nfs/dbraw/zinc/27/13/90/398271390.db2.gz CKYUXLBWRBMMQV-UHFFFAOYSA-N 2 2 296.374 3.205 20 0 CGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)(C)C ZINC000337952946 214329976 /nfs/dbraw/zinc/32/99/76/214329976.db2.gz YIIVQVSLZUBOAJ-HNNXBMFYSA-N 2 2 289.423 3.184 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)s1 ZINC000651865953 398298800 /nfs/dbraw/zinc/29/88/00/398298800.db2.gz ODMJACCSTZDESS-LBPRGKRZSA-N 2 2 283.485 3.388 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)s1 ZINC000651865953 398298802 /nfs/dbraw/zinc/29/88/02/398298802.db2.gz ODMJACCSTZDESS-LBPRGKRZSA-N 2 2 283.485 3.388 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000337994454 214350375 /nfs/dbraw/zinc/35/03/75/214350375.db2.gz LNJUHQTUZOGDOA-MOPGFXCFSA-N 2 2 299.462 3.214 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423459104 529453933 /nfs/dbraw/zinc/45/39/33/529453933.db2.gz HPTLPDVVGONGHC-KOLCDFICSA-N 2 2 269.458 3.137 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474030134 282180973 /nfs/dbraw/zinc/18/09/73/282180973.db2.gz FHENJSFAGKMELG-MSOLQXFVSA-N 2 2 286.463 3.472 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313691 529501094 /nfs/dbraw/zinc/50/10/94/529501094.db2.gz GBCDXLPFINTENH-IAQYHMDHSA-N 2 2 272.392 3.383 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414065139 529595905 /nfs/dbraw/zinc/59/59/05/529595905.db2.gz FOMOBWRMHYNWOE-ILXRZTDVSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cs1 ZINC000623089450 349758379 /nfs/dbraw/zinc/75/83/79/349758379.db2.gz HUXUVJSTRWMSPL-UHFFFAOYSA-N 2 2 288.407 3.123 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089031 349758565 /nfs/dbraw/zinc/75/85/65/349758565.db2.gz RHIMASUGMOLVRH-OCCSQVGLSA-N 2 2 274.399 3.132 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423110440 295685972 /nfs/dbraw/zinc/68/59/72/295685972.db2.gz IBMMWKVWCSTIHP-MBNYWOFBSA-N 2 2 264.438 3.200 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@H]1C[C@@H]1C ZINC000414118804 529614048 /nfs/dbraw/zinc/61/40/48/529614048.db2.gz VUJVULNOUVGOBM-MXAVVETBSA-N 2 2 261.413 3.093 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000423513070 529616586 /nfs/dbraw/zinc/61/65/86/529616586.db2.gz UZZSVVDNFJSFPO-KZULUSFZSA-N 2 2 298.434 3.006 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1Br ZINC000423314459 529619250 /nfs/dbraw/zinc/61/92/50/529619250.db2.gz HHMPZRQLCWZZIV-KBPBESRZSA-N 2 2 297.240 3.227 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000427876764 529661549 /nfs/dbraw/zinc/66/15/49/529661549.db2.gz NBISJPCKPMPUGL-NEPJUHHUSA-N 2 2 261.394 3.000 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423560606 529668334 /nfs/dbraw/zinc/66/83/34/529668334.db2.gz VEVLWYQIBMXQNG-XKQJLSEDSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccncc1Cl)C(C)(C)C ZINC000623422339 349803598 /nfs/dbraw/zinc/80/35/98/349803598.db2.gz RSOLSNOXKWPALT-AWEZNQCLSA-N 2 2 283.847 3.191 20 0 CGADLP CCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000513639533 534937853 /nfs/dbraw/zinc/93/78/53/534937853.db2.gz CQFAMUNIJHZMGC-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000427872569 529707449 /nfs/dbraw/zinc/70/74/49/529707449.db2.gz XYELQMLGUHPULS-VXGBXAGGSA-N 2 2 275.421 3.173 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1Cl ZINC000351352232 219092982 /nfs/dbraw/zinc/09/29/82/219092982.db2.gz PJVFNUJDZKFULJ-UHFFFAOYSA-N 2 2 254.805 3.114 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1Cl ZINC000351352232 219092984 /nfs/dbraw/zinc/09/29/84/219092984.db2.gz PJVFNUJDZKFULJ-UHFFFAOYSA-N 2 2 254.805 3.114 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC3(CCCCC3)C2)n1C ZINC000425339704 529807708 /nfs/dbraw/zinc/80/77/08/529807708.db2.gz TYSQKDCDVOSKNY-UHFFFAOYSA-N 2 2 290.455 3.032 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC3(CCCCC3)C2)n1C ZINC000425339704 529807709 /nfs/dbraw/zinc/80/77/09/529807709.db2.gz TYSQKDCDVOSKNY-UHFFFAOYSA-N 2 2 290.455 3.032 20 0 CGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CCSC ZINC000592528461 346996438 /nfs/dbraw/zinc/99/64/38/346996438.db2.gz JBBUIRQAPPLWOT-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCSC ZINC000592528461 346996442 /nfs/dbraw/zinc/99/64/42/346996442.db2.gz JBBUIRQAPPLWOT-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423227516 529979150 /nfs/dbraw/zinc/97/91/50/529979150.db2.gz WCQWJUARKFJKOP-ZDUSSCGKSA-N 2 2 273.207 3.254 20 0 CGADLP FC(F)Oc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353296 345009586 /nfs/dbraw/zinc/00/95/86/345009586.db2.gz PCBKUESBNWNYJX-UHFFFAOYSA-N 2 2 295.333 3.055 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)o1 ZINC000045105756 345020872 /nfs/dbraw/zinc/02/08/72/345020872.db2.gz YCSHQEMVQZYOGG-CYBMUJFWSA-N 2 2 261.369 3.224 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000051921904 345093734 /nfs/dbraw/zinc/09/37/34/345093734.db2.gz CLJDHXCBOKAYJV-UHFFFAOYSA-N 2 2 284.407 3.111 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c[nH+]1 ZINC000623942543 349923414 /nfs/dbraw/zinc/92/34/14/349923414.db2.gz MJOVAJZJWHUGMA-AWEZNQCLSA-N 2 2 290.455 3.213 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c[nH+]1 ZINC000623942543 349923417 /nfs/dbraw/zinc/92/34/17/349923417.db2.gz MJOVAJZJWHUGMA-AWEZNQCLSA-N 2 2 290.455 3.213 20 0 CGADLP Clc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000060841996 345223443 /nfs/dbraw/zinc/22/34/43/345223443.db2.gz NJPIWZUNXAHMNP-UHFFFAOYSA-N 2 2 287.750 3.409 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959167 345691756 /nfs/dbraw/zinc/69/17/56/345691756.db2.gz JFFZNVDOALMIFE-OCCSQVGLSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959167 345691759 /nfs/dbraw/zinc/69/17/59/345691759.db2.gz JFFZNVDOALMIFE-OCCSQVGLSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000156171781 232227690 /nfs/dbraw/zinc/22/76/90/232227690.db2.gz RBMLALXIDFDJKQ-YNEHKIRRSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000156171781 232227692 /nfs/dbraw/zinc/22/76/92/232227692.db2.gz RBMLALXIDFDJKQ-YNEHKIRRSA-N 2 2 266.816 3.473 20 0 CGADLP CS[C@@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193379 345785226 /nfs/dbraw/zinc/78/52/26/345785226.db2.gz LTFHOIQZACVIAQ-GOEBONIOSA-N 2 2 292.492 3.381 20 0 CGADLP CS[C@@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193379 345785229 /nfs/dbraw/zinc/78/52/29/345785229.db2.gz LTFHOIQZACVIAQ-GOEBONIOSA-N 2 2 292.492 3.381 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090772333 345793948 /nfs/dbraw/zinc/79/39/48/345793948.db2.gz ISCKAMDAXDUCIX-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090772333 345793952 /nfs/dbraw/zinc/79/39/52/345793952.db2.gz ISCKAMDAXDUCIX-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000163385472 232257827 /nfs/dbraw/zinc/25/78/27/232257827.db2.gz YOZUYKOCRIGHJN-CYBMUJFWSA-N 2 2 280.378 3.429 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092072128 345831022 /nfs/dbraw/zinc/83/10/22/345831022.db2.gz SLTDBLZMFKCHBZ-MRXNPFEDSA-N 2 2 299.418 3.415 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092072128 345831027 /nfs/dbraw/zinc/83/10/27/345831027.db2.gz SLTDBLZMFKCHBZ-MRXNPFEDSA-N 2 2 299.418 3.415 20 0 CGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2c1 ZINC000152040969 346139813 /nfs/dbraw/zinc/13/98/13/346139813.db2.gz NICOEJWKYLTYMT-UHFFFAOYSA-N 2 2 284.403 3.458 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CCC2)[NH+](C)C)cc1 ZINC000178137337 232382077 /nfs/dbraw/zinc/38/20/77/232382077.db2.gz ULFXSEJWMDUNCP-YOEHRIQHSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1[nH+]c2ccccc2c(NCc2[nH+]ccn2C)c1C ZINC000273288061 192101004 /nfs/dbraw/zinc/10/10/04/192101004.db2.gz FBVGYDBJMGHLSQ-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000316288426 346485126 /nfs/dbraw/zinc/48/51/26/346485126.db2.gz YHODICQSHIOSIP-SFHVURJKSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1Br ZINC000382469887 346560293 /nfs/dbraw/zinc/56/02/93/346560293.db2.gz ANHJCKUDEYXXBY-NSHDSACASA-N 2 2 297.240 3.242 20 0 CGADLP CCS[C@@H]1CCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000397468348 346582747 /nfs/dbraw/zinc/58/27/47/346582747.db2.gz PAOXCSYUVOVLJZ-HUUCEWRRSA-N 2 2 264.438 3.196 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CSCCF ZINC000595024618 347260067 /nfs/dbraw/zinc/26/00/67/347260067.db2.gz BUHQXRZURFDGMC-CABCVRRESA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CSCCF ZINC000595024618 347260073 /nfs/dbraw/zinc/26/00/73/347260073.db2.gz BUHQXRZURFDGMC-CABCVRRESA-N 2 2 298.471 3.188 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000605576154 348163838 /nfs/dbraw/zinc/16/38/38/348163838.db2.gz ZHBXKAMWPPTVNG-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccc(CC[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000605576154 348163839 /nfs/dbraw/zinc/16/38/39/348163839.db2.gz ZHBXKAMWPPTVNG-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000624188852 349996173 /nfs/dbraw/zinc/99/61/73/349996173.db2.gz IJRDLIVQIDQCPU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCCC1 ZINC000624188852 349996174 /nfs/dbraw/zinc/99/61/74/349996174.db2.gz IJRDLIVQIDQCPU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCSCC1 ZINC000624188303 349996212 /nfs/dbraw/zinc/99/62/12/349996212.db2.gz CECIEYLIIMSGEY-CZUORRHYSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCSCC1 ZINC000624188303 349996213 /nfs/dbraw/zinc/99/62/13/349996213.db2.gz CECIEYLIIMSGEY-CZUORRHYSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090171 233057127 /nfs/dbraw/zinc/05/71/27/233057127.db2.gz VTEBQBLAUPAAQI-JBLDHEPKSA-N 2 2 286.341 3.237 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090171 233057129 /nfs/dbraw/zinc/05/71/29/233057129.db2.gz VTEBQBLAUPAAQI-JBLDHEPKSA-N 2 2 286.341 3.237 20 0 CGADLP Cc1[nH+]c2ccccn2c1CNc1cc2c(c[nH+]1)CCC2 ZINC000339558065 215242020 /nfs/dbraw/zinc/24/20/20/215242020.db2.gz VYHDWTQUYWIOSY-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270385 350015652 /nfs/dbraw/zinc/01/56/52/350015652.db2.gz NWUKVJUHFNLFBE-HIFRSBDPSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270385 350015653 /nfs/dbraw/zinc/01/56/53/350015653.db2.gz NWUKVJUHFNLFBE-HIFRSBDPSA-N 2 2 278.465 3.023 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cc[nH]c21 ZINC000271235814 191020094 /nfs/dbraw/zinc/02/00/94/191020094.db2.gz DFTQJLRWXGYZBC-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cc[nH]c21 ZINC000271235814 191020097 /nfs/dbraw/zinc/02/00/97/191020097.db2.gz DFTQJLRWXGYZBC-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cc[nH]c21 ZINC000271235814 191020100 /nfs/dbraw/zinc/02/01/00/191020100.db2.gz DFTQJLRWXGYZBC-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cc[nH]c21 ZINC000271235814 191020101 /nfs/dbraw/zinc/02/01/01/191020101.db2.gz DFTQJLRWXGYZBC-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000625252774 350146974 /nfs/dbraw/zinc/14/69/74/350146974.db2.gz JYKJSDONZUDHIF-LLVKDONJSA-N 2 2 291.782 3.148 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000625252774 350146977 /nfs/dbraw/zinc/14/69/77/350146977.db2.gz JYKJSDONZUDHIF-LLVKDONJSA-N 2 2 291.782 3.148 20 0 CGADLP Oc1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000625215863 350141324 /nfs/dbraw/zinc/14/13/24/350141324.db2.gz KLFKJDCBDUZMSK-UHFFFAOYSA-N 2 2 291.782 3.148 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1cccnc1 ZINC000273488151 192172377 /nfs/dbraw/zinc/17/23/77/192172377.db2.gz NRIZJWXSYAQZFJ-QGZVFWFLSA-N 2 2 269.392 3.459 20 0 CGADLP Cc1cc(NCC[NH+]2CCCC2)c2cccc(F)c2[nH+]1 ZINC000359482674 233322591 /nfs/dbraw/zinc/32/25/91/233322591.db2.gz REJOGHIULMDLEA-UHFFFAOYSA-N 2 2 273.355 3.190 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625724782 350203934 /nfs/dbraw/zinc/20/39/34/350203934.db2.gz LQNUWWVEZYUFBQ-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)CCC1(C)C ZINC000625724782 350203935 /nfs/dbraw/zinc/20/39/35/350203935.db2.gz LQNUWWVEZYUFBQ-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)[N@@H+]1CCCC[C@H]1C ZINC000628202432 350438470 /nfs/dbraw/zinc/43/84/70/350438470.db2.gz UCBXYQQWHASADP-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)[N@H+]1CCCC[C@H]1C ZINC000628202432 350438475 /nfs/dbraw/zinc/43/84/75/350438475.db2.gz UCBXYQQWHASADP-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP c1cc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2[nH]1 ZINC000628157761 350415109 /nfs/dbraw/zinc/41/51/09/350415109.db2.gz UCTHZEVNWVCIKV-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C(C)(C)C ZINC000628215467 350444673 /nfs/dbraw/zinc/44/46/73/350444673.db2.gz KFTBOTLGPWHOCY-CQSZACIVSA-N 2 2 279.428 3.008 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000628280588 350476614 /nfs/dbraw/zinc/47/66/14/350476614.db2.gz WSVMMDIRLKGCAZ-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000628280588 350476621 /nfs/dbraw/zinc/47/66/21/350476621.db2.gz WSVMMDIRLKGCAZ-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000629527462 350703392 /nfs/dbraw/zinc/70/33/92/350703392.db2.gz WGICOMSKNRVPAL-SLBVQIDZSA-N 2 2 258.409 3.273 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C[NH2+]1 ZINC000629535667 350704616 /nfs/dbraw/zinc/70/46/16/350704616.db2.gz DNZKAEQSMBDGHW-ZETOZRRWSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CCCO2 ZINC000629535814 350705248 /nfs/dbraw/zinc/70/52/48/350705248.db2.gz DQTZDANWLVXFOS-YQQAZPJKSA-N 2 2 288.435 3.247 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000629536406 350706023 /nfs/dbraw/zinc/70/60/23/350706023.db2.gz JWWFHPQJYQQQRN-MRXNPFEDSA-N 2 2 277.456 3.230 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cnc2ccsc2c1 ZINC000629539116 350706625 /nfs/dbraw/zinc/70/66/25/350706625.db2.gz MUWKOMPUKKSZPO-NQBHXWOUSA-N 2 2 275.421 3.087 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C[NH2+]1 ZINC000629541366 350707877 /nfs/dbraw/zinc/70/78/77/350707877.db2.gz UOIOLRGYFWESID-UXIGCNINSA-N 2 2 294.826 3.284 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000629543090 350708224 /nfs/dbraw/zinc/70/82/24/350708224.db2.gz SLWYDDIDEPKJFC-XUJVJEKNSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000629555550 350712596 /nfs/dbraw/zinc/71/25/96/350712596.db2.gz WWBKISJFYHUZAG-SMDDNHRTSA-N 2 2 286.341 3.022 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C[NH2+]1 ZINC000629397632 350689407 /nfs/dbraw/zinc/68/94/07/350689407.db2.gz YIOWTJZSPKSEJZ-JSGCOSHPSA-N 2 2 287.432 3.040 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000629519011 350700566 /nfs/dbraw/zinc/70/05/66/350700566.db2.gz AEEMPAXNGHXMKK-WFASDCNBSA-N 2 2 276.449 3.344 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629524300 350701547 /nfs/dbraw/zinc/70/15/47/350701547.db2.gz QWHHHJZGGHDTOK-VXGBXAGGSA-N 2 2 264.756 3.056 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000629523236 350701569 /nfs/dbraw/zinc/70/15/69/350701569.db2.gz CCEOUQXBZPJMFJ-LEWSCRJBSA-N 2 2 252.789 3.131 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000629526396 350701937 /nfs/dbraw/zinc/70/19/37/350701937.db2.gz SLSQKILGKTYQTM-YESZJQIVSA-N 2 2 258.409 3.184 20 0 CGADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000629653811 350731040 /nfs/dbraw/zinc/73/10/40/350731040.db2.gz GORNCCXMKGLIPE-BZUAXINKSA-N 2 2 259.397 3.061 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000629671085 350734066 /nfs/dbraw/zinc/73/40/66/350734066.db2.gz XJKOZFQAVDTSCE-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1cc(C)c(Cn2c[nH+]c3c2CCCC3)c(C)[nH+]1 ZINC000631017571 350925251 /nfs/dbraw/zinc/92/52/51/350925251.db2.gz QEEUUVFAMVCFDF-UHFFFAOYSA-N 2 2 255.365 3.130 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)on1 ZINC000631075227 350944344 /nfs/dbraw/zinc/94/43/44/350944344.db2.gz OJIKDOBJDHSQSA-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261338 351010824 /nfs/dbraw/zinc/01/08/24/351010824.db2.gz WZLRXUAOEQWRBY-NMFUWQPSSA-N 2 2 298.352 3.362 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261338 351010826 /nfs/dbraw/zinc/01/08/26/351010826.db2.gz WZLRXUAOEQWRBY-NMFUWQPSSA-N 2 2 298.352 3.362 20 0 CGADLP Clc1ccccc1C[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992390 351619056 /nfs/dbraw/zinc/61/90/56/351619056.db2.gz NLWNNIJFMJGFBT-GULBITTBSA-N 2 2 290.838 3.099 20 0 CGADLP Clc1ccccc1C[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992390 351619059 /nfs/dbraw/zinc/61/90/59/351619059.db2.gz NLWNNIJFMJGFBT-GULBITTBSA-N 2 2 290.838 3.099 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991979 351619508 /nfs/dbraw/zinc/61/95/08/351619508.db2.gz YKKZAFALBOIEIQ-XIKARTHZSA-N 2 2 298.352 3.450 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991979 351619510 /nfs/dbraw/zinc/61/95/10/351619510.db2.gz YKKZAFALBOIEIQ-XIKARTHZSA-N 2 2 298.352 3.450 20 0 CGADLP CC(C)c1[nH+]ccn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000123652492 187103026 /nfs/dbraw/zinc/10/30/26/187103026.db2.gz RQKODGUVTVMVKG-UHFFFAOYSA-N 2 2 280.375 3.300 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C[C@H]2CC=CCC2)c[nH+]1 ZINC000123699471 187104709 /nfs/dbraw/zinc/10/47/09/187104709.db2.gz HTWUQDORYUWXLG-HNNXBMFYSA-N 2 2 267.376 3.318 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000364371207 234039222 /nfs/dbraw/zinc/03/92/22/234039222.db2.gz BLDSXXWVENQQDL-INIZCTEOSA-N 2 2 291.439 3.083 20 0 CGADLP COCCCCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000364371207 234039226 /nfs/dbraw/zinc/03/92/26/234039226.db2.gz BLDSXXWVENQQDL-INIZCTEOSA-N 2 2 291.439 3.083 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000271617458 191241911 /nfs/dbraw/zinc/24/19/11/191241911.db2.gz XYDXJCHTBKMTED-OAHLLOKOSA-N 2 2 284.407 3.328 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563431 188150969 /nfs/dbraw/zinc/15/09/69/188150969.db2.gz LAVJFCVDOGYWDK-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563431 188150971 /nfs/dbraw/zinc/15/09/71/188150971.db2.gz LAVJFCVDOGYWDK-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000157433189 188316852 /nfs/dbraw/zinc/31/68/52/188316852.db2.gz GAYJFQJCCURTIV-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CC(C)(C)OC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000271756768 191309068 /nfs/dbraw/zinc/30/90/68/191309068.db2.gz XKFJEQAILWIGGH-UHFFFAOYSA-N 2 2 287.407 3.114 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397577 235052850 /nfs/dbraw/zinc/05/28/50/235052850.db2.gz ZAYXUPDMMNIYTR-VNQPRFMTSA-N 2 2 285.366 3.284 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397577 235052854 /nfs/dbraw/zinc/05/28/54/235052854.db2.gz ZAYXUPDMMNIYTR-VNQPRFMTSA-N 2 2 285.366 3.284 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc(C)c1F ZINC000414130706 235343796 /nfs/dbraw/zinc/34/37/96/235343796.db2.gz XPIHACFEMYMLOL-CYBMUJFWSA-N 2 2 275.371 3.069 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414120213 235341161 /nfs/dbraw/zinc/34/11/61/235341161.db2.gz BCRHRGAKHWSERG-KRWDZBQOSA-N 2 2 283.419 3.247 20 0 CGADLP C[N@@H+](Cc1ccco1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336728 138345706 /nfs/dbraw/zinc/34/57/06/138345706.db2.gz KTKUMMYMSFVQEW-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[N@H+](Cc1ccco1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336728 138345707 /nfs/dbraw/zinc/34/57/07/138345707.db2.gz KTKUMMYMSFVQEW-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccco1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336728 138345709 /nfs/dbraw/zinc/34/57/09/138345709.db2.gz KTKUMMYMSFVQEW-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccco1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336728 138345711 /nfs/dbraw/zinc/34/57/11/138345711.db2.gz KTKUMMYMSFVQEW-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1nccs1 ZINC000093516618 138347773 /nfs/dbraw/zinc/34/77/73/138347773.db2.gz PZFNOSJPUOBHRZ-IHRRRGAJSA-N 2 2 281.469 3.495 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000123676737 138369322 /nfs/dbraw/zinc/36/93/22/138369322.db2.gz WMZVSNVXTGFYDS-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000123676737 138369323 /nfs/dbraw/zinc/36/93/23/138369323.db2.gz WMZVSNVXTGFYDS-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000130067504 138399341 /nfs/dbraw/zinc/39/93/41/138399341.db2.gz ZDCYOPIHAOMDGG-ABAIWWIYSA-N 2 2 275.783 3.202 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423235172 236004607 /nfs/dbraw/zinc/00/46/07/236004607.db2.gz MVJBUCIRINYMFD-ZYHUDNBSSA-N 2 2 281.469 3.152 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423245055 236007204 /nfs/dbraw/zinc/00/72/04/236007204.db2.gz IMXBQIOQYSBBFM-MSOLQXFVSA-N 2 2 282.387 3.059 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423244084 236007223 /nfs/dbraw/zinc/00/72/23/236007223.db2.gz XJDFWUWOSHVKGO-GDBMZVCRSA-N 2 2 262.397 3.161 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000423251086 236008634 /nfs/dbraw/zinc/00/86/34/236008634.db2.gz VYXQDCQHUYYCRN-DLBZAZTESA-N 2 2 270.351 3.103 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCC12CCCC2)c1ccccc1 ZINC000423254495 236009913 /nfs/dbraw/zinc/00/99/13/236009913.db2.gz YFDGBFFDSPGRPZ-JKSUJKDBSA-N 2 2 258.409 3.389 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423353662 236048359 /nfs/dbraw/zinc/04/83/59/236048359.db2.gz BWBULOFLRMCKRF-OAUYIBNBSA-N 2 2 283.419 3.133 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[NH2+]1 ZINC000423380009 236055942 /nfs/dbraw/zinc/05/59/42/236055942.db2.gz MMIIHGZQWTUXMB-FRFSOERESA-N 2 2 270.376 3.099 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1Br ZINC000423396485 236063103 /nfs/dbraw/zinc/06/31/03/236063103.db2.gz UFRJYRYXIGRYNH-GRYCIOLGSA-N 2 2 297.240 3.240 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423416409 236067518 /nfs/dbraw/zinc/06/75/18/236067518.db2.gz FVJTZMMSTJOOSX-OALUTQOASA-N 2 2 278.399 3.151 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423418474 236067731 /nfs/dbraw/zinc/06/77/31/236067731.db2.gz HZXGQLKLTMNFOV-OALUTQOASA-N 2 2 296.389 3.290 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423422287 236068171 /nfs/dbraw/zinc/06/81/71/236068171.db2.gz KJINZRNIWVLPCI-CGTJXYLNSA-N 2 2 290.426 3.381 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cs1 ZINC000423497614 236086709 /nfs/dbraw/zinc/08/67/09/236086709.db2.gz AHIIFZGJUWTUNI-XOKHGSTOSA-N 2 2 286.444 3.463 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)o1 ZINC000423528638 236093909 /nfs/dbraw/zinc/09/39/09/236093909.db2.gz NOHGSHDTNPFIAW-JEBQAFNWSA-N 2 2 284.403 3.303 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1OC(F)F ZINC000423535151 236094626 /nfs/dbraw/zinc/09/46/26/236094626.db2.gz XCQWASCQPQMRNP-FZMZJTMJSA-N 2 2 298.377 3.456 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000424368502 236158570 /nfs/dbraw/zinc/15/85/70/236158570.db2.gz ACFHEFJXKFBFKZ-CHWSQXEVSA-N 2 2 290.304 3.204 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000424266861 236138973 /nfs/dbraw/zinc/13/89/73/236138973.db2.gz LQPHNNKNBLUGHZ-NEPJUHHUSA-N 2 2 293.798 3.284 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856717 236350106 /nfs/dbraw/zinc/35/01/06/236350106.db2.gz XEQQPJBDCFESAL-SNUQEOBHSA-N 2 2 299.393 3.250 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294944371 199263634 /nfs/dbraw/zinc/26/36/34/199263634.db2.gz BTWMYBSAUXJQLE-XEZPLFJOSA-N 2 2 287.432 3.274 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423307999 283390654 /nfs/dbraw/zinc/39/06/54/283390654.db2.gz IMTDVRKXAPVJPM-AWEZNQCLSA-N 2 2 282.815 3.143 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311037 237078917 /nfs/dbraw/zinc/07/89/17/237078917.db2.gz WQUWSNXBNDBSHS-BQUDOFGOSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311037 237078925 /nfs/dbraw/zinc/07/89/25/237078925.db2.gz WQUWSNXBNDBSHS-BQUDOFGOSA-N 2 2 288.410 3.144 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000437073959 237243601 /nfs/dbraw/zinc/24/36/01/237243601.db2.gz FZGLXPKXEOAPNQ-IAGOWNOFSA-N 2 2 272.436 3.397 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000297358904 200161912 /nfs/dbraw/zinc/16/19/12/200161912.db2.gz FPLYSCWFJRGAQX-QRVBRYPASA-N 2 2 295.430 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000297358904 200161913 /nfs/dbraw/zinc/16/19/13/200161913.db2.gz FPLYSCWFJRGAQX-QRVBRYPASA-N 2 2 295.430 3.231 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC000437782813 237348226 /nfs/dbraw/zinc/34/82/26/237348226.db2.gz HDVYFIJRBSPOHT-HYVNUMGLSA-N 2 2 260.425 3.037 20 0 CGADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000297568705 200230391 /nfs/dbraw/zinc/23/03/91/200230391.db2.gz CPUOZEPNIISKBL-UHFFFAOYSA-N 2 2 273.424 3.100 20 0 CGADLP C[C@H](c1ccco1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177059901 189025467 /nfs/dbraw/zinc/02/54/67/189025467.db2.gz QKTQMDHVAKZBMC-CYBMUJFWSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177059901 189025468 /nfs/dbraw/zinc/02/54/68/189025468.db2.gz QKTQMDHVAKZBMC-CYBMUJFWSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298909084 200561514 /nfs/dbraw/zinc/56/15/14/200561514.db2.gz NAANCYYQHQZNLK-YOEHRIQHSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCC3)cs2)cc1 ZINC000342135358 216232067 /nfs/dbraw/zinc/23/20/67/216232067.db2.gz HFNUFPINCVKCDT-UHFFFAOYSA-N 2 2 287.432 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439314129 238249121 /nfs/dbraw/zinc/24/91/21/238249121.db2.gz GRKJPTWHQPZCIV-MAUKXSAKSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439314129 238249128 /nfs/dbraw/zinc/24/91/28/238249128.db2.gz GRKJPTWHQPZCIV-MAUKXSAKSA-N 2 2 283.419 3.460 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469747 189195949 /nfs/dbraw/zinc/19/59/49/189195949.db2.gz XWXQPPWZPKEFSD-AWEZNQCLSA-N 2 2 283.419 3.010 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469747 189195950 /nfs/dbraw/zinc/19/59/50/189195950.db2.gz XWXQPPWZPKEFSD-AWEZNQCLSA-N 2 2 283.419 3.010 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469747 189195951 /nfs/dbraw/zinc/19/59/51/189195951.db2.gz XWXQPPWZPKEFSD-AWEZNQCLSA-N 2 2 283.419 3.010 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469747 189195952 /nfs/dbraw/zinc/19/59/52/189195952.db2.gz XWXQPPWZPKEFSD-AWEZNQCLSA-N 2 2 283.419 3.010 20 0 CGADLP C[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)C[NH+]1CCCCC1 ZINC000301426995 201005401 /nfs/dbraw/zinc/00/54/01/201005401.db2.gz CZQGZIJGTPJIBO-AWEZNQCLSA-N 2 2 290.455 3.308 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565698 370687403 /nfs/dbraw/zinc/68/74/03/370687403.db2.gz PZJCBFCPLPVRGK-JTDSTZFVSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565698 370687408 /nfs/dbraw/zinc/68/74/08/370687408.db2.gz PZJCBFCPLPVRGK-JTDSTZFVSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956750 189340325 /nfs/dbraw/zinc/34/03/25/189340325.db2.gz GMJWUMCCOJDTIH-CPUCHLNUSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956750 189340326 /nfs/dbraw/zinc/34/03/26/189340326.db2.gz GMJWUMCCOJDTIH-CPUCHLNUSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182956750 189340327 /nfs/dbraw/zinc/34/03/27/189340327.db2.gz GMJWUMCCOJDTIH-CPUCHLNUSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182956750 189340328 /nfs/dbraw/zinc/34/03/28/189340328.db2.gz GMJWUMCCOJDTIH-CPUCHLNUSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C/C=C\c1ccncc1 ZINC000342420290 216347721 /nfs/dbraw/zinc/34/77/21/216347721.db2.gz KJRFXENPAPDVCD-UXHZXRBQSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C/C=C\c1ccncc1 ZINC000342420290 216347722 /nfs/dbraw/zinc/34/77/22/216347722.db2.gz KJRFXENPAPDVCD-UXHZXRBQSA-N 2 2 295.430 3.205 20 0 CGADLP Cc1cc(NC(C)(C)C[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301826891 201219485 /nfs/dbraw/zinc/21/94/85/201219485.db2.gz PJKGIUIIFOBDKL-UHFFFAOYSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1cc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301826891 201219488 /nfs/dbraw/zinc/21/94/88/201219488.db2.gz PJKGIUIIFOBDKL-UHFFFAOYSA-N 2 2 284.407 3.108 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000184536755 189388766 /nfs/dbraw/zinc/38/87/66/189388766.db2.gz WOFGSJBQGXVGRY-IBGZPJMESA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000184536755 189388767 /nfs/dbraw/zinc/38/87/67/189388767.db2.gz WOFGSJBQGXVGRY-IBGZPJMESA-N 2 2 297.446 3.328 20 0 CGADLP c1ccc2[nH+]c(N3CC[NH+](C4CCCCC4)CC3)[nH]c2c1 ZINC000301854060 201233539 /nfs/dbraw/zinc/23/35/39/201233539.db2.gz CGLNDARVAQYJCP-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP c1cn(CCC[NH2+]C2CCC(OC3CCCC3)CC2)c[nH+]1 ZINC000449065664 239155421 /nfs/dbraw/zinc/15/54/21/239155421.db2.gz VJIYIYIUWHUKDK-UHFFFAOYSA-N 2 2 291.439 3.133 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1F ZINC000449071841 239159771 /nfs/dbraw/zinc/15/97/71/239159771.db2.gz ISMSSGFRTRNQOI-UHFFFAOYSA-N 2 2 278.415 3.344 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000449076377 239161415 /nfs/dbraw/zinc/16/14/15/239161415.db2.gz PFUUBYXVUOZFHY-OAHLLOKOSA-N 2 2 295.386 3.245 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(C)(C)C)CCC2 ZINC000449166730 239216887 /nfs/dbraw/zinc/21/68/87/239216887.db2.gz FXKMQTBSJOALSJ-OCCSQVGLSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000120207734 370746932 /nfs/dbraw/zinc/74/69/32/370746932.db2.gz JKDFCMQPMWRKGG-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000120207734 370746936 /nfs/dbraw/zinc/74/69/36/370746936.db2.gz JKDFCMQPMWRKGG-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335560686 212268145 /nfs/dbraw/zinc/26/81/45/212268145.db2.gz LSHKJVNIYNABTA-UHFFFAOYSA-N 2 2 299.443 3.138 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)c1 ZINC000459417092 242101036 /nfs/dbraw/zinc/10/10/36/242101036.db2.gz VIFILCYQAGSVKH-INIZCTEOSA-N 2 2 283.419 3.069 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)c1 ZINC000459417092 242101041 /nfs/dbraw/zinc/10/10/41/242101041.db2.gz VIFILCYQAGSVKH-INIZCTEOSA-N 2 2 283.419 3.069 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459434714 242107934 /nfs/dbraw/zinc/10/79/34/242107934.db2.gz NXCNTNKGSWSPFJ-NVXWUHKLSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459434714 242107939 /nfs/dbraw/zinc/10/79/39/242107939.db2.gz NXCNTNKGSWSPFJ-NVXWUHKLSA-N 2 2 283.419 3.231 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)nc1C ZINC000459663521 242169873 /nfs/dbraw/zinc/16/98/73/242169873.db2.gz IDCLSEREJAVPLT-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP CCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000459749691 242211088 /nfs/dbraw/zinc/21/10/88/242211088.db2.gz IOZQYLIJPMCJBA-OAHLLOKOSA-N 2 2 257.381 3.393 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000462811976 242364690 /nfs/dbraw/zinc/36/46/90/242364690.db2.gz GXHSDVNUKSSJJD-RHSMWYFYSA-N 2 2 270.420 3.087 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000462811976 242364693 /nfs/dbraw/zinc/36/46/93/242364693.db2.gz GXHSDVNUKSSJJD-RHSMWYFYSA-N 2 2 270.420 3.087 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463242019 242390428 /nfs/dbraw/zinc/39/04/28/242390428.db2.gz FLFAULPNPFEHSJ-OLZOCXBDSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480621536 243158065 /nfs/dbraw/zinc/15/80/65/243158065.db2.gz FJWCLUBLTNNJDD-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480621536 243158069 /nfs/dbraw/zinc/15/80/69/243158069.db2.gz FJWCLUBLTNNJDD-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631440 243158277 /nfs/dbraw/zinc/15/82/77/243158277.db2.gz QSRCJPHZLRSZSU-DAYGRLMNSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631440 243158281 /nfs/dbraw/zinc/15/82/81/243158281.db2.gz QSRCJPHZLRSZSU-DAYGRLMNSA-N 2 2 290.451 3.465 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335488131 212165886 /nfs/dbraw/zinc/16/58/86/212165886.db2.gz MXBFQHRNMRLCCS-CQSZACIVSA-N 2 2 297.402 3.231 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482709487 243240699 /nfs/dbraw/zinc/24/06/99/243240699.db2.gz CQKXJDIJFINGKK-OAHLLOKOSA-N 2 2 282.472 3.188 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482709487 243240708 /nfs/dbraw/zinc/24/07/08/243240708.db2.gz CQKXJDIJFINGKK-OAHLLOKOSA-N 2 2 282.472 3.188 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)Cc2ccc(C)cc2C)C1 ZINC000482713548 243240856 /nfs/dbraw/zinc/24/08/56/243240856.db2.gz NKLGFQTWHXIBKY-XYJFISCASA-N 2 2 274.452 3.164 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)Cc2ccc(C)cc2C)C1 ZINC000482713548 243240861 /nfs/dbraw/zinc/24/08/61/243240861.db2.gz NKLGFQTWHXIBKY-XYJFISCASA-N 2 2 274.452 3.164 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000483654834 243291850 /nfs/dbraw/zinc/29/18/50/243291850.db2.gz PWRJRYJAECDJPZ-AEFFLSMTSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000483654834 243291856 /nfs/dbraw/zinc/29/18/56/243291856.db2.gz PWRJRYJAECDJPZ-AEFFLSMTSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000483654839 243291937 /nfs/dbraw/zinc/29/19/37/243291937.db2.gz PWRJRYJAECDJPZ-WMZOPIPTSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000483654839 243291940 /nfs/dbraw/zinc/29/19/40/243291940.db2.gz PWRJRYJAECDJPZ-WMZOPIPTSA-N 2 2 272.436 3.453 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000484479232 243313249 /nfs/dbraw/zinc/31/32/49/243313249.db2.gz WVQRQDZDDHCJBX-WBVHZDCISA-N 2 2 292.492 3.391 20 0 CGADLP C[C@@H]([NH2+]Cc1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084136 368798034 /nfs/dbraw/zinc/79/80/34/368798034.db2.gz IAESVZQUERPJEP-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000036932149 369040287 /nfs/dbraw/zinc/04/02/87/369040287.db2.gz LZJGRRSKTKOEFL-UHFFFAOYSA-N 2 2 281.403 3.149 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC000037117291 369063271 /nfs/dbraw/zinc/06/32/71/369063271.db2.gz FOYADMWFPOUOCF-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC000037117291 369063276 /nfs/dbraw/zinc/06/32/76/369063276.db2.gz FOYADMWFPOUOCF-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000037150515 369069115 /nfs/dbraw/zinc/06/91/15/369069115.db2.gz UPSAEOAZASHWHR-LBPRGKRZSA-N 2 2 281.469 3.367 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157380 369072473 /nfs/dbraw/zinc/07/24/73/369072473.db2.gz QCTWBKFFXOQXFK-LSDHHAIUSA-N 2 2 287.407 3.411 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037157160 369073419 /nfs/dbraw/zinc/07/34/19/369073419.db2.gz GXPSAIURVMYOIA-HUUCEWRRSA-N 2 2 257.381 3.239 20 0 CGADLP CCCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037273173 369079816 /nfs/dbraw/zinc/07/98/16/369079816.db2.gz GJXMZDOAARSHBC-AWEZNQCLSA-N 2 2 261.413 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC ZINC000037292582 369080137 /nfs/dbraw/zinc/08/01/37/369080137.db2.gz AGSATQVYNNLVHQ-GVDBMIGSSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC ZINC000037292582 369080139 /nfs/dbraw/zinc/08/01/39/369080139.db2.gz AGSATQVYNNLVHQ-GVDBMIGSSA-N 2 2 288.435 3.363 20 0 CGADLP FC(F)(F)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119759 369176112 /nfs/dbraw/zinc/17/61/12/369176112.db2.gz ILKGIGRXOBHQCG-ZDUSSCGKSA-N 2 2 283.297 3.166 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685375 369267826 /nfs/dbraw/zinc/26/78/26/369267826.db2.gz HNQMKXPORRSCQV-DGCLKSJQSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685375 369267833 /nfs/dbraw/zinc/26/78/33/369267833.db2.gz HNQMKXPORRSCQV-DGCLKSJQSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000494880594 244326701 /nfs/dbraw/zinc/32/67/01/244326701.db2.gz STSWCAIVVNHANJ-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526047 369406846 /nfs/dbraw/zinc/40/68/46/369406846.db2.gz GEHFECLUXUTCIH-LLVKDONJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049553065 369408936 /nfs/dbraw/zinc/40/89/36/369408936.db2.gz WZELQQOMOXUQJR-RYUDHWBXSA-N 2 2 254.805 3.331 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000049553508 369409282 /nfs/dbraw/zinc/40/92/82/369409282.db2.gz PLOIWXWVQUZDNE-SNVBAGLBSA-N 2 2 275.223 3.423 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000049943271 369423998 /nfs/dbraw/zinc/42/39/98/369423998.db2.gz DHTITICPJBXQPO-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000049943271 369424000 /nfs/dbraw/zinc/42/40/00/369424000.db2.gz DHTITICPJBXQPO-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000276475722 193346122 /nfs/dbraw/zinc/34/61/22/193346122.db2.gz RCSWKALRSWDCRW-LJQANCHMSA-N 2 2 298.430 3.378 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000276475722 193346124 /nfs/dbraw/zinc/34/61/24/193346124.db2.gz RCSWKALRSWDCRW-LJQANCHMSA-N 2 2 298.430 3.378 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068691222 369746627 /nfs/dbraw/zinc/74/66/27/369746627.db2.gz YNDBAGCXCQFWRF-NEPJUHHUSA-N 2 2 286.404 3.232 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000072630382 369830750 /nfs/dbraw/zinc/83/07/50/369830750.db2.gz VSQUMFZDRJHCEO-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000072630382 369830757 /nfs/dbraw/zinc/83/07/57/369830757.db2.gz VSQUMFZDRJHCEO-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000070149529 369782366 /nfs/dbraw/zinc/78/23/66/369782366.db2.gz FTBLEYFVBKEXMZ-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000070149529 369782373 /nfs/dbraw/zinc/78/23/73/369782373.db2.gz FTBLEYFVBKEXMZ-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000085129614 370016760 /nfs/dbraw/zinc/01/67/60/370016760.db2.gz YZCFJYJMMDQNOA-QWHCGFSZSA-N 2 2 278.362 3.183 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)[nH]1 ZINC000080985012 369993538 /nfs/dbraw/zinc/99/35/38/369993538.db2.gz DUBRWALVUCVJQW-MRXNPFEDSA-N 2 2 299.418 3.448 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCCOc3ccccc3)C2)[nH]1 ZINC000080985012 369993540 /nfs/dbraw/zinc/99/35/40/369993540.db2.gz DUBRWALVUCVJQW-MRXNPFEDSA-N 2 2 299.418 3.448 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000081222193 369994629 /nfs/dbraw/zinc/99/46/29/369994629.db2.gz LBKCPGHJIVRAQG-ZDUSSCGKSA-N 2 2 277.799 3.147 20 0 CGADLP CC[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000093109644 370110704 /nfs/dbraw/zinc/11/07/04/370110704.db2.gz WPYGHGHSUMQWKJ-GJZGRUSLSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000093398462 370121490 /nfs/dbraw/zinc/12/14/90/370121490.db2.gz YGEUMPYBHZIGLF-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000093398462 370121497 /nfs/dbraw/zinc/12/14/97/370121497.db2.gz YGEUMPYBHZIGLF-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928167 370257876 /nfs/dbraw/zinc/25/78/76/370257876.db2.gz MHPDLPBMXYXIIS-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1nc(NC[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000110112067 370368741 /nfs/dbraw/zinc/36/87/41/370368741.db2.gz AFVVFMJWYWSEAZ-OAHLLOKOSA-N 2 2 284.407 3.315 20 0 CGADLP c1cc(NCCC[NH2+]C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000110128413 370370735 /nfs/dbraw/zinc/37/07/35/370370735.db2.gz PHKHWAKVPWUQJY-UHFFFAOYSA-N 2 2 274.412 3.078 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111242999 370395095 /nfs/dbraw/zinc/39/50/95/370395095.db2.gz KTTSNWSXUSUBLT-CYBMUJFWSA-N 2 2 273.355 3.420 20 0 CGADLP CCSCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000118997078 370634902 /nfs/dbraw/zinc/63/49/02/370634902.db2.gz FTGBBXRHLHOPOZ-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP CCSCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000118997078 370634907 /nfs/dbraw/zinc/63/49/07/370634907.db2.gz FTGBBXRHLHOPOZ-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200803 371016199 /nfs/dbraw/zinc/01/61/99/371016199.db2.gz CDJVXZPVANQRIP-RWMBFGLXSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000130200803 371016208 /nfs/dbraw/zinc/01/62/08/371016208.db2.gz CDJVXZPVANQRIP-RWMBFGLXSA-N 2 2 280.362 3.242 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000131060868 371079655 /nfs/dbraw/zinc/07/96/55/371079655.db2.gz DCWZTWZREDXSOO-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131088639 371081663 /nfs/dbraw/zinc/08/16/63/371081663.db2.gz FNEDTSLSHLDIOI-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000131207181 371089043 /nfs/dbraw/zinc/08/90/43/371089043.db2.gz XOJBOHCRQXSUFR-ZDUSSCGKSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000131207181 371089054 /nfs/dbraw/zinc/08/90/54/371089054.db2.gz XOJBOHCRQXSUFR-ZDUSSCGKSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533154 371113402 /nfs/dbraw/zinc/11/34/02/371113402.db2.gz TXNQSYKCOSNBOA-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533154 371113406 /nfs/dbraw/zinc/11/34/06/371113406.db2.gz TXNQSYKCOSNBOA-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000133623652 371266738 /nfs/dbraw/zinc/26/67/38/371266738.db2.gz UDKUSPKJTKUDTL-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP c1coc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000133688377 371271852 /nfs/dbraw/zinc/27/18/52/371271852.db2.gz KKPPHCDWUKVSOE-DOTOQJQBSA-N 2 2 270.376 3.101 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000136481389 371478017 /nfs/dbraw/zinc/47/80/17/371478017.db2.gz UXLUINNIPCVLHT-VQIMIIECSA-N 2 2 297.446 3.025 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000136481389 371478021 /nfs/dbraw/zinc/47/80/21/371478021.db2.gz UXLUINNIPCVLHT-VQIMIIECSA-N 2 2 297.446 3.025 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000020827685 541854929 /nfs/dbraw/zinc/85/49/29/541854929.db2.gz LQCWMRQOZONMFA-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1cccnc1 ZINC000287293884 371635461 /nfs/dbraw/zinc/63/54/61/371635461.db2.gz KGLDSNFNSNPYBO-FCEWJHQRSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccnc1 ZINC000287293884 371635467 /nfs/dbraw/zinc/63/54/67/371635467.db2.gz KGLDSNFNSNPYBO-FCEWJHQRSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000421823662 371645960 /nfs/dbraw/zinc/64/59/60/371645960.db2.gz DOXUYXBTVSTACB-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000421823662 371645966 /nfs/dbraw/zinc/64/59/66/371645966.db2.gz DOXUYXBTVSTACB-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287416924 371653155 /nfs/dbraw/zinc/65/31/55/371653155.db2.gz JWJAHJQZGCLJCD-CHWSQXEVSA-N 2 2 294.439 3.264 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287416924 371653156 /nfs/dbraw/zinc/65/31/56/371653156.db2.gz JWJAHJQZGCLJCD-CHWSQXEVSA-N 2 2 294.439 3.264 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000152808792 371726195 /nfs/dbraw/zinc/72/61/95/371726195.db2.gz QLXNTPYPONKYFV-CYBMUJFWSA-N 2 2 287.382 3.252 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)o1 ZINC000152835614 371729330 /nfs/dbraw/zinc/72/93/30/371729330.db2.gz HVHBYCJJARTKDL-CYBMUJFWSA-N 2 2 287.407 3.268 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422564091 371751570 /nfs/dbraw/zinc/75/15/70/371751570.db2.gz VEQOOVJTUKNJBU-UPJWGTAASA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422564091 371751580 /nfs/dbraw/zinc/75/15/80/371751580.db2.gz VEQOOVJTUKNJBU-UPJWGTAASA-N 2 2 281.469 3.072 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422698502 371757216 /nfs/dbraw/zinc/75/72/16/371757216.db2.gz ZOFBHHPOQJOLLL-YOEHRIQHSA-N 2 2 288.435 3.096 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000422700015 371757678 /nfs/dbraw/zinc/75/76/78/371757678.db2.gz FUDMGEJKKAEIFD-SJORKVTESA-N 3 2 296.418 3.008 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000153212439 371757728 /nfs/dbraw/zinc/75/77/28/371757728.db2.gz WSPNXJGUGVTBRL-IJEWVQPXSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000153212439 371757733 /nfs/dbraw/zinc/75/77/33/371757733.db2.gz WSPNXJGUGVTBRL-IJEWVQPXSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nc1C(C)C ZINC000422702671 371760281 /nfs/dbraw/zinc/76/02/81/371760281.db2.gz FRVIGPMLVWOGCK-STQMWFEESA-N 2 2 281.469 3.325 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422721003 371767769 /nfs/dbraw/zinc/76/77/69/371767769.db2.gz NDEJPEUWSMNHNV-STQMWFEESA-N 2 2 291.420 3.153 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000422731891 371773022 /nfs/dbraw/zinc/77/30/22/371773022.db2.gz OFPLZMSLSYOSMY-DYVFJYSZSA-N 2 2 288.822 3.388 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422785941 371806161 /nfs/dbraw/zinc/80/61/61/371806161.db2.gz PUBLYCSLAXDGRV-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSC[C@@H](C)C1 ZINC000289769586 371815403 /nfs/dbraw/zinc/81/54/03/371815403.db2.gz QUVFHTJPUIFUCT-ZDUSSCGKSA-N 2 2 264.438 3.008 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSC[C@@H](C)C1 ZINC000289769586 371815413 /nfs/dbraw/zinc/81/54/13/371815413.db2.gz QUVFHTJPUIFUCT-ZDUSSCGKSA-N 2 2 264.438 3.008 20 0 CGADLP C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422839849 371835247 /nfs/dbraw/zinc/83/52/47/371835247.db2.gz ROOLCHDUXPUFFB-YIFBXAAPSA-N 2 2 276.399 3.179 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000289900996 371848343 /nfs/dbraw/zinc/84/83/43/371848343.db2.gz XMPKQPQEZHHFSI-QGZVFWFLSA-N 2 2 288.435 3.262 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422884046 371853602 /nfs/dbraw/zinc/85/36/02/371853602.db2.gz RLOASKLGLVUWDK-JKIFEVAISA-N 2 2 276.424 3.265 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000154520279 371853626 /nfs/dbraw/zinc/85/36/26/371853626.db2.gz SDVMVTWJPIJYQI-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000154520279 371853630 /nfs/dbraw/zinc/85/36/30/371853630.db2.gz SDVMVTWJPIJYQI-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422890525 371857309 /nfs/dbraw/zinc/85/73/09/371857309.db2.gz ILZZVOHFLMMJKS-OLZOCXBDSA-N 2 2 291.420 3.153 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422893519 371857377 /nfs/dbraw/zinc/85/73/77/371857377.db2.gz ACUSUBKUZJZANW-CQSZACIVSA-N 2 2 299.418 3.380 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422894192 371859789 /nfs/dbraw/zinc/85/97/89/371859789.db2.gz BNRHOEUVLNKDQY-YOEHRIQHSA-N 2 2 276.424 3.096 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422899871 371860505 /nfs/dbraw/zinc/86/05/05/371860505.db2.gz PJHACLDSLSMHIB-CYBMUJFWSA-N 2 2 285.391 3.134 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916656 371867118 /nfs/dbraw/zinc/86/71/18/371867118.db2.gz BHGPMRMCPQCSAA-RCBQFDQVSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289981070 371868381 /nfs/dbraw/zinc/86/83/81/371868381.db2.gz XWQKHQIIQNKVRW-KGLIPLIRSA-N 2 2 280.375 3.171 20 0 CGADLP C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1c[nH+]ccc1N ZINC000422922091 371871732 /nfs/dbraw/zinc/87/17/32/371871732.db2.gz RYLVCLHLXANHIB-CYBMUJFWSA-N 2 2 297.406 3.053 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(F)c1 ZINC000422930105 371875682 /nfs/dbraw/zinc/87/56/82/371875682.db2.gz SDWKMYOHOOXWHV-SJORKVTESA-N 2 2 286.350 3.069 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000422935205 371880101 /nfs/dbraw/zinc/88/01/01/371880101.db2.gz DJBPTRSQZQFFHA-ZNMIVQPWSA-N 2 2 296.480 3.192 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422943114 371882641 /nfs/dbraw/zinc/88/26/41/371882641.db2.gz KDWUTOLPXHQSJR-RDTXWAMCSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCC[NH2+]1 ZINC000422841444 371837184 /nfs/dbraw/zinc/83/71/84/371837184.db2.gz DAVXQLBAAVZBHR-RHSMWYFYSA-N 2 2 297.402 3.104 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@H]1CCC[NH2+]1 ZINC000422841445 371837276 /nfs/dbraw/zinc/83/72/76/371837276.db2.gz DAVXQLBAAVZBHR-WMLDXEAASA-N 2 2 297.402 3.104 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344102036 217049198 /nfs/dbraw/zinc/04/91/98/217049198.db2.gz DWOWNCRHFONIFD-ACJLOTCBSA-N 2 2 298.430 3.356 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344102036 217049200 /nfs/dbraw/zinc/04/92/00/217049200.db2.gz DWOWNCRHFONIFD-ACJLOTCBSA-N 2 2 298.430 3.356 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423003216 371910755 /nfs/dbraw/zinc/91/07/55/371910755.db2.gz LBRNIOPDOFOQNW-QRVBRYPASA-N 2 2 296.414 3.017 20 0 CGADLP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423006148 371911641 /nfs/dbraw/zinc/91/16/41/371911641.db2.gz UGNPSKONMFTXCZ-CABCVRRESA-N 2 2 278.465 3.126 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423064714 371944218 /nfs/dbraw/zinc/94/42/18/371944218.db2.gz AFIFYWTZJGPDGG-ZIAGYGMSSA-N 2 2 288.391 3.191 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290195344 371929066 /nfs/dbraw/zinc/92/90/66/371929066.db2.gz PDAOARACWVKZDF-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290195344 371929076 /nfs/dbraw/zinc/92/90/76/371929076.db2.gz PDAOARACWVKZDF-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423102561 371966107 /nfs/dbraw/zinc/96/61/07/371966107.db2.gz XBECHPDLMGHZTL-KSZLIROESA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102561 371966112 /nfs/dbraw/zinc/96/61/12/371966112.db2.gz XBECHPDLMGHZTL-KSZLIROESA-N 3 2 293.499 3.033 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423172957 372001797 /nfs/dbraw/zinc/00/17/97/372001797.db2.gz WCQNAPHJGSXTIW-IDTSFGKNSA-N 2 2 296.817 3.455 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423110009 371973252 /nfs/dbraw/zinc/97/32/52/371973252.db2.gz OKDWQJDEJKYPOU-XJKSGUPXSA-N 2 2 271.408 3.097 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156325576 371974887 /nfs/dbraw/zinc/97/48/87/371974887.db2.gz ZRLWUBKEVICFMS-SFHVURJKSA-N 2 2 282.387 3.086 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423173002 372002709 /nfs/dbraw/zinc/00/27/09/372002709.db2.gz WKVYTVNHRNUHQQ-SDJAHQOYSA-N 2 2 296.817 3.455 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC2(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423083675 371954033 /nfs/dbraw/zinc/95/40/33/371954033.db2.gz GGBLWOBFMVEWNG-DLBZAZTESA-N 2 2 288.435 3.268 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423196697 372021909 /nfs/dbraw/zinc/02/19/09/372021909.db2.gz VYGABDSUNWFONS-DGCLKSJQSA-N 2 2 264.438 3.030 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000423222983 372040103 /nfs/dbraw/zinc/04/01/03/372040103.db2.gz DKLYHSJCUZBLBO-INIZCTEOSA-N 2 2 298.430 3.444 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423293834 372047824 /nfs/dbraw/zinc/04/78/24/372047824.db2.gz AVNSNEFVSWQFBJ-QMTHXVAHSA-N 2 2 268.351 3.059 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423177174 372007062 /nfs/dbraw/zinc/00/70/62/372007062.db2.gz AOLSNNLLAUAJRM-QWHCGFSZSA-N 2 2 272.367 3.382 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180533 372008532 /nfs/dbraw/zinc/00/85/32/372008532.db2.gz FDGZZTJKTJFUGR-DGCLKSJQSA-N 2 2 282.815 3.141 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184367 372013321 /nfs/dbraw/zinc/01/33/21/372013321.db2.gz IMMWFRNZJRYDFY-NOZJJQNGSA-N 2 2 285.218 3.322 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000425333773 372121584 /nfs/dbraw/zinc/12/15/84/372121584.db2.gz CLJMQHXRFHSKRZ-YESZJQIVSA-N 2 2 290.476 3.307 20 0 CGADLP CO[C@](C)(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C1CC1 ZINC000291025081 372097928 /nfs/dbraw/zinc/09/79/28/372097928.db2.gz HSTIYJFIAZIZBX-GOSISDBHSA-N 2 2 299.418 3.085 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3c2cccc3O)c[nH+]1 ZINC000428273441 372185018 /nfs/dbraw/zinc/18/50/18/372185018.db2.gz CZXBNTDWMPVRHZ-KRWDZBQOSA-N 2 2 282.387 3.305 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1C ZINC000040672513 541870402 /nfs/dbraw/zinc/87/04/02/541870402.db2.gz NEUYPDSVMMWBIH-HZPDHXFCSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000040672513 541870407 /nfs/dbraw/zinc/87/04/07/541870407.db2.gz NEUYPDSVMMWBIH-HZPDHXFCSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040672980 541870803 /nfs/dbraw/zinc/87/08/03/541870803.db2.gz XSWAMJUXJYAKAQ-DLBZAZTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040672980 541870808 /nfs/dbraw/zinc/87/08/08/541870808.db2.gz XSWAMJUXJYAKAQ-DLBZAZTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428747266 372260352 /nfs/dbraw/zinc/26/03/52/372260352.db2.gz IUNPGQBFHCDJOJ-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428747266 372260358 /nfs/dbraw/zinc/26/03/58/372260358.db2.gz IUNPGQBFHCDJOJ-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP COC1(C[C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)CCC1 ZINC000429510622 372374035 /nfs/dbraw/zinc/37/40/35/372374035.db2.gz IXTWPTPBWUQUCG-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP COC1(C[C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000429510622 372374038 /nfs/dbraw/zinc/37/40/38/372374038.db2.gz IXTWPTPBWUQUCG-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC1(C[NH2+]CCCc2c[nH+]ccc2C)CCCC1 ZINC000293543199 372406287 /nfs/dbraw/zinc/40/62/87/372406287.db2.gz DBHOJSWSCKYPNW-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000344351285 217164002 /nfs/dbraw/zinc/16/40/02/217164002.db2.gz OXNASDGRCOVVCG-KSZLIROESA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000344351285 217164005 /nfs/dbraw/zinc/16/40/05/217164005.db2.gz OXNASDGRCOVVCG-KSZLIROESA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cncs1 ZINC000162860098 372429085 /nfs/dbraw/zinc/42/90/85/372429085.db2.gz RTQLEBMJMWRMFZ-GFCCVEGCSA-N 2 2 276.409 3.081 20 0 CGADLP CCc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148781 372434831 /nfs/dbraw/zinc/43/48/31/372434831.db2.gz ZKYYZMZOANJLOB-LJQANCHMSA-N 2 2 296.414 3.340 20 0 CGADLP CCc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148781 372434840 /nfs/dbraw/zinc/43/48/40/372434840.db2.gz ZKYYZMZOANJLOB-LJQANCHMSA-N 2 2 296.414 3.340 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225385 372454769 /nfs/dbraw/zinc/45/47/69/372454769.db2.gz PKUOOMQZNULVJY-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225385 372454771 /nfs/dbraw/zinc/45/47/71/372454771.db2.gz PKUOOMQZNULVJY-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252953 372458400 /nfs/dbraw/zinc/45/84/00/372458400.db2.gz NQUPKGYQYZFPMM-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252953 372458405 /nfs/dbraw/zinc/45/84/05/372458405.db2.gz NQUPKGYQYZFPMM-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689323 372600302 /nfs/dbraw/zinc/60/03/02/372600302.db2.gz VSVLXNWVRBXRQD-WBVHZDCISA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)C)c1 ZINC000167689323 372600309 /nfs/dbraw/zinc/60/03/09/372600309.db2.gz VSVLXNWVRBXRQD-WBVHZDCISA-N 2 2 290.451 3.355 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000432237921 372549653 /nfs/dbraw/zinc/54/96/53/372549653.db2.gz AHIOZKMEJDXTET-BOLLXYOYSA-N 2 2 294.483 3.185 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000432237921 372549659 /nfs/dbraw/zinc/54/96/59/372549659.db2.gz AHIOZKMEJDXTET-BOLLXYOYSA-N 2 2 294.483 3.185 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432237468 372550057 /nfs/dbraw/zinc/55/00/57/372550057.db2.gz HARFBFFWGHNBPD-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432237468 372550065 /nfs/dbraw/zinc/55/00/65/372550065.db2.gz HARFBFFWGHNBPD-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432231552 372550370 /nfs/dbraw/zinc/55/03/70/372550370.db2.gz IGHDRCSXUWCLOZ-MRVPVSSYSA-N 2 2 290.219 3.430 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000166447143 372574940 /nfs/dbraw/zinc/57/49/40/372574940.db2.gz NEODPUVJYVNGQR-OAHLLOKOSA-N 2 2 261.344 3.153 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000168757039 372619542 /nfs/dbraw/zinc/61/95/42/372619542.db2.gz LQDIMJLLIBVNPP-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1F ZINC000168757039 372619544 /nfs/dbraw/zinc/61/95/44/372619544.db2.gz LQDIMJLLIBVNPP-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434991107 372724551 /nfs/dbraw/zinc/72/45/51/372724551.db2.gz LBPOIZZUASZRSP-PBHICJAKSA-N 2 2 291.439 3.184 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434783108 372709365 /nfs/dbraw/zinc/70/93/65/372709365.db2.gz GGPNTAQBVNOALP-QRQLOZEOSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434783108 372709375 /nfs/dbraw/zinc/70/93/75/372709375.db2.gz GGPNTAQBVNOALP-QRQLOZEOSA-N 2 2 284.447 3.397 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cccc3cnccc32)c[nH+]1 ZINC000061125574 541884115 /nfs/dbraw/zinc/88/41/15/541884115.db2.gz XTALSPVYMUVCBP-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000438184214 372906113 /nfs/dbraw/zinc/90/61/13/372906113.db2.gz ARZQXXKPCHHBEJ-JKSUJKDBSA-N 2 2 290.451 3.132 20 0 CGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000438339605 372928851 /nfs/dbraw/zinc/92/88/51/372928851.db2.gz UJEDTUICGLTBBX-ZDUSSCGKSA-N 2 2 264.388 3.003 20 0 CGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000344719340 217286957 /nfs/dbraw/zinc/28/69/57/217286957.db2.gz VUTSDKYBUKZJSP-RYQLBKOJSA-N 2 2 290.451 3.083 20 0 CGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000344719340 217286958 /nfs/dbraw/zinc/28/69/58/217286958.db2.gz VUTSDKYBUKZJSP-RYQLBKOJSA-N 2 2 290.451 3.083 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000296149245 373035834 /nfs/dbraw/zinc/03/58/34/373035834.db2.gz VTZJTQILIMZMMW-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000296149245 373035842 /nfs/dbraw/zinc/03/58/42/373035842.db2.gz VTZJTQILIMZMMW-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CCCC1 ZINC000172789227 373036229 /nfs/dbraw/zinc/03/62/29/373036229.db2.gz HLFCXXBLSFBDGY-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CCCC1 ZINC000172789227 373036237 /nfs/dbraw/zinc/03/62/37/373036237.db2.gz HLFCXXBLSFBDGY-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000296189324 373048893 /nfs/dbraw/zinc/04/88/93/373048893.db2.gz YLMVHMCITJMHMR-GUTXKFCHSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000296189324 373048898 /nfs/dbraw/zinc/04/88/98/373048898.db2.gz YLMVHMCITJMHMR-GUTXKFCHSA-N 2 2 296.480 3.206 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442707328 373067033 /nfs/dbraw/zinc/06/70/33/373067033.db2.gz GGUDJSIWYCROSS-IYXRBSQSSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442707328 373067040 /nfs/dbraw/zinc/06/70/40/373067040.db2.gz GGUDJSIWYCROSS-IYXRBSQSSA-N 2 2 274.399 3.274 20 0 CGADLP Cn1c2ccc(N[C@@H]3CCn4cc[nH+]c43)cc2[nH+]c1C1CC1 ZINC000296250009 373067887 /nfs/dbraw/zinc/06/78/87/373067887.db2.gz BGAZVIGMLQTUHN-CYBMUJFWSA-N 2 2 293.374 3.204 20 0 CGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000296179756 373044710 /nfs/dbraw/zinc/04/47/10/373044710.db2.gz XRSVUSREIRUIKE-NSHDSACASA-N 2 2 275.783 3.414 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000172845552 373046239 /nfs/dbraw/zinc/04/62/39/373046239.db2.gz YPXYYDMZWFCQMW-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000172845552 373046243 /nfs/dbraw/zinc/04/62/43/373046243.db2.gz YPXYYDMZWFCQMW-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845552 373046246 /nfs/dbraw/zinc/04/62/46/373046246.db2.gz YPXYYDMZWFCQMW-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845552 373046247 /nfs/dbraw/zinc/04/62/47/373046247.db2.gz YPXYYDMZWFCQMW-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000442856029 373105386 /nfs/dbraw/zinc/10/53/86/373105386.db2.gz CXFFVKBTWKMXIC-IPYPFGDCSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000442856029 373105392 /nfs/dbraw/zinc/10/53/92/373105392.db2.gz CXFFVKBTWKMXIC-IPYPFGDCSA-N 2 2 278.465 3.399 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000344869798 217341550 /nfs/dbraw/zinc/34/15/50/217341550.db2.gz DCXCEEHEBQINNN-ZDUSSCGKSA-N 2 2 299.349 3.325 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447602385 373463523 /nfs/dbraw/zinc/46/35/23/373463523.db2.gz SHQVWCATYKDGIK-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000447602385 373463526 /nfs/dbraw/zinc/46/35/26/373463526.db2.gz SHQVWCATYKDGIK-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000447902491 373521845 /nfs/dbraw/zinc/52/18/45/373521845.db2.gz JZPAMLHBNXXSAR-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000447902491 373521848 /nfs/dbraw/zinc/52/18/48/373521848.db2.gz JZPAMLHBNXXSAR-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000300309027 373624128 /nfs/dbraw/zinc/62/41/28/373624128.db2.gz MLWHMXYXRFMFAZ-PMPSAXMXSA-N 2 2 263.429 3.466 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C12CCCCC2 ZINC000300413970 373630611 /nfs/dbraw/zinc/63/06/11/373630611.db2.gz GIWRJBPMSAMCPS-BHYGNILZSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C12CCCCC2 ZINC000300413970 373630616 /nfs/dbraw/zinc/63/06/16/373630616.db2.gz GIWRJBPMSAMCPS-BHYGNILZSA-N 2 2 294.483 3.187 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC1)c1cccc(OC)c1 ZINC000177193060 373662996 /nfs/dbraw/zinc/66/29/96/373662996.db2.gz QQNHTZSRIXDFQC-RDTXWAMCSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cccc[nH+]2)C1 ZINC000301109864 373663818 /nfs/dbraw/zinc/66/38/18/373663818.db2.gz RECBNHWWVOMWMY-GJZGRUSLSA-N 2 2 261.413 3.252 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]cn2)cc1F ZINC000301239091 373706423 /nfs/dbraw/zinc/70/64/23/373706423.db2.gz LQVUKVPIJIUAGE-UHFFFAOYSA-N 2 2 297.337 3.030 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccoc1 ZINC000178504600 373787266 /nfs/dbraw/zinc/78/72/66/373787266.db2.gz DSZNIUVMPGFSOY-LBPRGKRZSA-N 2 2 285.322 3.455 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301649855 373793444 /nfs/dbraw/zinc/79/34/44/373793444.db2.gz PMIUJKHXFQNALJ-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301649855 373793448 /nfs/dbraw/zinc/79/34/48/373793448.db2.gz PMIUJKHXFQNALJ-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC2(F)F)c[nH+]1 ZINC000449499079 373796108 /nfs/dbraw/zinc/79/61/08/373796108.db2.gz SUHPQQCJKMLZAT-CQSZACIVSA-N 2 2 268.351 3.348 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000302508406 373883711 /nfs/dbraw/zinc/88/37/11/373883711.db2.gz MQLJNSWSIZVZOI-XJKSGUPXSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000302508406 373883716 /nfs/dbraw/zinc/88/37/16/373883716.db2.gz MQLJNSWSIZVZOI-XJKSGUPXSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(NCc2ccccc2-n2cc[nH+]c2)cc[nH+]1 ZINC000302712353 373937363 /nfs/dbraw/zinc/93/73/63/373937363.db2.gz XFILYOHZLQXDSC-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450286190 374039526 /nfs/dbraw/zinc/03/95/26/374039526.db2.gz LOTNWPKQONKQLM-HZPDHXFCSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450286190 374039530 /nfs/dbraw/zinc/03/95/30/374039530.db2.gz LOTNWPKQONKQLM-HZPDHXFCSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450286190 374039536 /nfs/dbraw/zinc/03/95/36/374039536.db2.gz LOTNWPKQONKQLM-HZPDHXFCSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450286190 374039542 /nfs/dbraw/zinc/03/95/42/374039542.db2.gz LOTNWPKQONKQLM-HZPDHXFCSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)CC1(C)C ZINC000450450908 374137446 /nfs/dbraw/zinc/13/74/46/374137446.db2.gz GEHPFJONGPMBGJ-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)CC1(C)C ZINC000450450908 374137452 /nfs/dbraw/zinc/13/74/52/374137452.db2.gz GEHPFJONGPMBGJ-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000450450908 374137458 /nfs/dbraw/zinc/13/74/58/374137458.db2.gz GEHPFJONGPMBGJ-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000450450908 374137464 /nfs/dbraw/zinc/13/74/64/374137464.db2.gz GEHPFJONGPMBGJ-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000308758775 374177313 /nfs/dbraw/zinc/17/73/13/374177313.db2.gz XFVDDXWPEDFOSO-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000308758775 374177318 /nfs/dbraw/zinc/17/73/18/374177318.db2.gz XFVDDXWPEDFOSO-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000309778166 374196660 /nfs/dbraw/zinc/19/66/60/374196660.db2.gz CXWRZKRVTKQWEZ-BFYDXBDKSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C ZINC000309778166 374196662 /nfs/dbraw/zinc/19/66/62/374196662.db2.gz CXWRZKRVTKQWEZ-BFYDXBDKSA-N 2 2 260.425 3.285 20 0 CGADLP COC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452047340 374215438 /nfs/dbraw/zinc/21/54/38/374215438.db2.gz ZVPKIYACJJUQDR-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP COC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452047340 374215447 /nfs/dbraw/zinc/21/54/47/374215447.db2.gz ZVPKIYACJJUQDR-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H](F)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122599 374242405 /nfs/dbraw/zinc/24/24/05/374242405.db2.gz VDSWBGPOHYTMBJ-LLVKDONJSA-N 2 2 284.341 3.083 20 0 CGADLP C[C@@H](F)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122599 374242410 /nfs/dbraw/zinc/24/24/10/374242410.db2.gz VDSWBGPOHYTMBJ-LLVKDONJSA-N 2 2 284.341 3.083 20 0 CGADLP C[C@@H](CCCC[NH3+])Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000312905112 374294824 /nfs/dbraw/zinc/29/48/24/374294824.db2.gz JWHGPHOGNLADFI-AWEZNQCLSA-N 2 2 276.428 3.001 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602927 374284797 /nfs/dbraw/zinc/28/47/97/374284797.db2.gz NNDIEEJZIRYBDX-PSASIEDQSA-N 2 2 293.263 3.485 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602927 374284806 /nfs/dbraw/zinc/28/48/06/374284806.db2.gz NNDIEEJZIRYBDX-PSASIEDQSA-N 2 2 293.263 3.485 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000328356641 374362573 /nfs/dbraw/zinc/36/25/73/374362573.db2.gz OGEFTSCNDKHKDB-UHFFFAOYSA-N 2 2 282.815 3.010 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095250 374371384 /nfs/dbraw/zinc/37/13/84/374371384.db2.gz RUHQNZBTXSVKOY-KGLIPLIRSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095250 374371392 /nfs/dbraw/zinc/37/13/92/374371392.db2.gz RUHQNZBTXSVKOY-KGLIPLIRSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095250 374371395 /nfs/dbraw/zinc/37/13/95/374371395.db2.gz RUHQNZBTXSVKOY-KGLIPLIRSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095250 374371406 /nfs/dbraw/zinc/37/14/06/374371406.db2.gz RUHQNZBTXSVKOY-KGLIPLIRSA-N 2 2 295.496 3.429 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262516 374378746 /nfs/dbraw/zinc/37/87/46/374378746.db2.gz STJBMPRFBLFZRR-SJKOYZFVSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262516 374378755 /nfs/dbraw/zinc/37/87/55/374378755.db2.gz STJBMPRFBLFZRR-SJKOYZFVSA-N 2 2 276.399 3.133 20 0 CGADLP CC(C)[C@H](C)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000183446380 374415501 /nfs/dbraw/zinc/41/55/01/374415501.db2.gz SYFSTQNITOMGEZ-ZDUSSCGKSA-N 2 2 257.381 3.343 20 0 CGADLP CC(C)[C@H](C)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000183446380 374415510 /nfs/dbraw/zinc/41/55/10/374415510.db2.gz SYFSTQNITOMGEZ-ZDUSSCGKSA-N 2 2 257.381 3.343 20 0 CGADLP Cc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334193167 206172307 /nfs/dbraw/zinc/17/23/07/206172307.db2.gz IZWFNANAYNVLIV-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000184730850 374554379 /nfs/dbraw/zinc/55/43/79/374554379.db2.gz SMQYTKZGWMFMMY-QKYXPGDISA-N 2 2 295.430 3.388 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000184730850 374554387 /nfs/dbraw/zinc/55/43/87/374554387.db2.gz SMQYTKZGWMFMMY-QKYXPGDISA-N 2 2 295.430 3.388 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000090847354 541964518 /nfs/dbraw/zinc/96/45/18/541964518.db2.gz SIZXQEQHZDVDDG-KRWDZBQOSA-N 2 2 270.351 3.349 20 0 CGADLP CCC[N@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000094528230 541988065 /nfs/dbraw/zinc/98/80/65/541988065.db2.gz ZNCMNNPEROMHOZ-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000094528230 541988071 /nfs/dbraw/zinc/98/80/71/541988071.db2.gz ZNCMNNPEROMHOZ-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187048127 374962361 /nfs/dbraw/zinc/96/23/61/374962361.db2.gz RYVFTDKDUBCXQK-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187048127 374962367 /nfs/dbraw/zinc/96/23/67/374962367.db2.gz RYVFTDKDUBCXQK-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCSCC1 ZINC000187150250 374979044 /nfs/dbraw/zinc/97/90/44/374979044.db2.gz CREDXVOELIPTLR-CQSZACIVSA-N 2 2 293.480 3.395 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccsc1 ZINC000187778677 375092656 /nfs/dbraw/zinc/09/26/56/375092656.db2.gz REBJQZYXFUIMAE-CQSZACIVSA-N 2 2 277.437 3.288 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)Cc1ccsc1 ZINC000187778677 375092664 /nfs/dbraw/zinc/09/26/64/375092664.db2.gz REBJQZYXFUIMAE-CQSZACIVSA-N 2 2 277.437 3.288 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](CC)CC1 ZINC000474351753 375100253 /nfs/dbraw/zinc/10/02/53/375100253.db2.gz CGQOYEQHVNSYBN-UHFFFAOYSA-N 2 2 280.843 3.476 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187860944 375107353 /nfs/dbraw/zinc/10/73/53/375107353.db2.gz BDGNTGJCZQEWEC-YOEHRIQHSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000474471318 375113830 /nfs/dbraw/zinc/11/38/30/375113830.db2.gz BYQXZUKKPPSXKK-IBGZPJMESA-N 2 2 280.415 3.470 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390360 375196045 /nfs/dbraw/zinc/19/60/45/375196045.db2.gz VPKBPSBOTIMIQN-WMZOPIPTSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390360 375196052 /nfs/dbraw/zinc/19/60/52/375196052.db2.gz VPKBPSBOTIMIQN-WMZOPIPTSA-N 2 2 286.463 3.329 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000188450120 375216138 /nfs/dbraw/zinc/21/61/38/375216138.db2.gz QQHHGLRNIAMZLH-WBVHZDCISA-N 2 2 258.409 3.205 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000188450120 375216143 /nfs/dbraw/zinc/21/61/43/375216143.db2.gz QQHHGLRNIAMZLH-WBVHZDCISA-N 2 2 258.409 3.205 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000487303798 375222623 /nfs/dbraw/zinc/22/26/23/375222623.db2.gz AESDYRSFYRUWPQ-BFYDXBDKSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000487303798 375222629 /nfs/dbraw/zinc/22/26/29/375222629.db2.gz AESDYRSFYRUWPQ-BFYDXBDKSA-N 2 2 290.476 3.165 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000335916316 375538399 /nfs/dbraw/zinc/53/83/99/375538399.db2.gz NYXHOXQDXCQTOK-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000335916316 375538405 /nfs/dbraw/zinc/53/84/05/375538405.db2.gz NYXHOXQDXCQTOK-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000335860249 375490888 /nfs/dbraw/zinc/49/08/88/375490888.db2.gz ASUDNNGOOKFWPO-HWOWSKLDSA-N 2 2 281.403 3.042 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336036040 375635587 /nfs/dbraw/zinc/63/55/87/375635587.db2.gz HHCUMOVEKGCGKR-RDTXWAMCSA-N 2 2 297.402 3.088 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336036040 375635591 /nfs/dbraw/zinc/63/55/91/375635591.db2.gz HHCUMOVEKGCGKR-RDTXWAMCSA-N 2 2 297.402 3.088 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000192067927 375694772 /nfs/dbraw/zinc/69/47/72/375694772.db2.gz NBEAZOIDBOXDBE-IAGOWNOFSA-N 2 2 281.403 3.413 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192286621 375726527 /nfs/dbraw/zinc/72/65/27/375726527.db2.gz BMIIFKAIDXOTRZ-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192286621 375726533 /nfs/dbraw/zinc/72/65/33/375726533.db2.gz BMIIFKAIDXOTRZ-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP CCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507505608 375709034 /nfs/dbraw/zinc/70/90/34/375709034.db2.gz FHTRUQRRHOCXPQ-UHFFFAOYSA-N 2 2 266.351 3.183 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128244222 542050905 /nfs/dbraw/zinc/05/09/05/542050905.db2.gz KWFVQSDTYJNQOV-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000128244222 542050910 /nfs/dbraw/zinc/05/09/10/542050910.db2.gz KWFVQSDTYJNQOV-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP CCC(CC)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000192903285 375799413 /nfs/dbraw/zinc/79/94/13/375799413.db2.gz TXMGGXPCQNAMBZ-GOOCMWNKSA-N 2 2 291.439 3.293 20 0 CGADLP CCC(CC)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)on1 ZINC000192903285 375799419 /nfs/dbraw/zinc/79/94/19/375799419.db2.gz TXMGGXPCQNAMBZ-GOOCMWNKSA-N 2 2 291.439 3.293 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000193150453 375833643 /nfs/dbraw/zinc/83/36/43/375833643.db2.gz DECRJBKFVVKHDZ-YOEHRIQHSA-N 2 2 287.451 3.223 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000193150453 375833648 /nfs/dbraw/zinc/83/36/48/375833648.db2.gz DECRJBKFVVKHDZ-YOEHRIQHSA-N 2 2 287.451 3.223 20 0 CGADLP C[C@@H](C[NH2+]Cc1sccc1Cl)Cn1cc[nH+]c1 ZINC000193065105 375821853 /nfs/dbraw/zinc/82/18/53/375821853.db2.gz PJHFIAXNKCZUBT-JTQLQIEISA-N 2 2 269.801 3.024 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000534309169 375971224 /nfs/dbraw/zinc/97/12/24/375971224.db2.gz ULGGDACVWPYCTJ-RHSMWYFYSA-N 2 2 299.393 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000534309169 375971230 /nfs/dbraw/zinc/97/12/30/375971230.db2.gz ULGGDACVWPYCTJ-RHSMWYFYSA-N 2 2 299.393 3.426 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336723809 375921114 /nfs/dbraw/zinc/92/11/14/375921114.db2.gz WOJMQEYICLGRMY-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336723809 375921120 /nfs/dbraw/zinc/92/11/20/375921120.db2.gz WOJMQEYICLGRMY-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP Cc1c[nH+]ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000195347652 376098197 /nfs/dbraw/zinc/09/81/97/376098197.db2.gz RFVOKODCOFBKCE-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cscn1 ZINC000536625957 376101892 /nfs/dbraw/zinc/10/18/92/376101892.db2.gz SPAYVJNMVBNRLY-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809062 376064518 /nfs/dbraw/zinc/06/45/18/376064518.db2.gz DMTWIMIUUPIMMW-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809062 376064524 /nfs/dbraw/zinc/06/45/24/376064524.db2.gz DMTWIMIUUPIMMW-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809062 376064530 /nfs/dbraw/zinc/06/45/30/376064530.db2.gz DMTWIMIUUPIMMW-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809062 376064534 /nfs/dbraw/zinc/06/45/34/376064534.db2.gz DMTWIMIUUPIMMW-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877648 376139477 /nfs/dbraw/zinc/13/94/77/376139477.db2.gz QBVHUNMOVPTZMJ-BXUZGUMPSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877648 376139486 /nfs/dbraw/zinc/13/94/86/376139486.db2.gz QBVHUNMOVPTZMJ-BXUZGUMPSA-N 2 2 298.833 3.296 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217502793 376174069 /nfs/dbraw/zinc/17/40/69/376174069.db2.gz DPTASWIEPZBHAY-ZIAGYGMSSA-N 2 2 252.789 3.214 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217502793 376174077 /nfs/dbraw/zinc/17/40/77/376174077.db2.gz DPTASWIEPZBHAY-ZIAGYGMSSA-N 2 2 252.789 3.214 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000222181448 376231511 /nfs/dbraw/zinc/23/15/11/376231511.db2.gz GAQRADVMSHULRV-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000222181448 376231516 /nfs/dbraw/zinc/23/15/16/376231516.db2.gz GAQRADVMSHULRV-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000338197668 376281068 /nfs/dbraw/zinc/28/10/68/376281068.db2.gz QOLXETHSTAINKT-HNNXBMFYSA-N 2 2 280.362 3.028 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCC(F)(F)C1 ZINC000338284898 376315133 /nfs/dbraw/zinc/31/51/33/376315133.db2.gz ZYFBITPAQPAUMC-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCC(F)(F)C1 ZINC000338284898 376315138 /nfs/dbraw/zinc/31/51/38/376315138.db2.gz ZYFBITPAQPAUMC-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000226564870 376364818 /nfs/dbraw/zinc/36/48/18/376364818.db2.gz LQDIMJLLIBVNPP-BBWFWOEESA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000226564870 376364822 /nfs/dbraw/zinc/36/48/22/376364822.db2.gz LQDIMJLLIBVNPP-BBWFWOEESA-N 2 2 276.399 3.493 20 0 CGADLP CCCCO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000540597594 376384079 /nfs/dbraw/zinc/38/40/79/376384079.db2.gz UZSVTWUDRCKVNN-CVEARBPZSA-N 2 2 293.455 3.237 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000541747852 376478638 /nfs/dbraw/zinc/47/86/38/376478638.db2.gz BSUFYMLMDOHLHA-INIZCTEOSA-N 2 2 292.471 3.115 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000541747852 376478646 /nfs/dbraw/zinc/47/86/46/376478646.db2.gz BSUFYMLMDOHLHA-INIZCTEOSA-N 2 2 292.471 3.115 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000228821167 376449760 /nfs/dbraw/zinc/44/97/60/376449760.db2.gz UPDVUCRHIUOEKV-YGONEPDPSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000228821167 376449765 /nfs/dbraw/zinc/44/97/65/376449765.db2.gz UPDVUCRHIUOEKV-YGONEPDPSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000338689909 376481985 /nfs/dbraw/zinc/48/19/85/376481985.db2.gz CAVIMBUUHQBNNB-GASCZTMLSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000338689909 376481987 /nfs/dbraw/zinc/48/19/87/376481987.db2.gz CAVIMBUUHQBNNB-GASCZTMLSA-N 2 2 294.483 3.044 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)Cc1ccsc1 ZINC000543094940 376603832 /nfs/dbraw/zinc/60/38/32/376603832.db2.gz HJAXTUTYBXWZNV-BMFZPTHFSA-N 2 2 278.465 3.238 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)Cc1ccsc1 ZINC000543094940 376603853 /nfs/dbraw/zinc/60/38/53/376603853.db2.gz HJAXTUTYBXWZNV-BMFZPTHFSA-N 2 2 278.465 3.238 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1ccsc1 ZINC000543094940 376603856 /nfs/dbraw/zinc/60/38/56/376603856.db2.gz HJAXTUTYBXWZNV-BMFZPTHFSA-N 2 2 278.465 3.238 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)Cc1ccsc1 ZINC000543094940 376603865 /nfs/dbraw/zinc/60/38/65/376603865.db2.gz HJAXTUTYBXWZNV-BMFZPTHFSA-N 2 2 278.465 3.238 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000339173700 376725817 /nfs/dbraw/zinc/72/58/17/376725817.db2.gz SFMKYEMNHSYVFE-UHFFFAOYSA-N 2 2 258.409 3.140 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000135754705 542089093 /nfs/dbraw/zinc/08/90/93/542089093.db2.gz HVCDHFCYDVBNDF-HZPDHXFCSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@H]([NH2+]Cc1cncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000136252867 542090380 /nfs/dbraw/zinc/09/03/80/542090380.db2.gz FXNRJZACWCIBMC-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545151441 376789997 /nfs/dbraw/zinc/78/99/97/376789997.db2.gz UKZZCNTXLDXTCD-SAPNQHFASA-N 2 2 270.420 3.332 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545151441 376790004 /nfs/dbraw/zinc/79/00/04/376790004.db2.gz UKZZCNTXLDXTCD-SAPNQHFASA-N 2 2 270.420 3.332 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157809399 542139045 /nfs/dbraw/zinc/13/90/45/542139045.db2.gz MGDDOOZRBVQRKE-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157809399 542139047 /nfs/dbraw/zinc/13/90/47/542139047.db2.gz MGDDOOZRBVQRKE-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570593 376845552 /nfs/dbraw/zinc/84/55/52/376845552.db2.gz XDWRYYUXAVVVHX-KSSFIOAISA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570593 376845561 /nfs/dbraw/zinc/84/55/61/376845561.db2.gz XDWRYYUXAVVVHX-KSSFIOAISA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000245556300 376853506 /nfs/dbraw/zinc/85/35/06/376853506.db2.gz IZYJMWFDMCZMJP-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000245556300 376853514 /nfs/dbraw/zinc/85/35/14/376853514.db2.gz IZYJMWFDMCZMJP-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000245556300 376853523 /nfs/dbraw/zinc/85/35/23/376853523.db2.gz IZYJMWFDMCZMJP-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000245556300 376853527 /nfs/dbraw/zinc/85/35/27/376853527.db2.gz IZYJMWFDMCZMJP-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000558126508 376977044 /nfs/dbraw/zinc/97/70/44/376977044.db2.gz GTHXSRVCCRXQDJ-MBOZVWFJSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000558126508 376977052 /nfs/dbraw/zinc/97/70/52/376977052.db2.gz GTHXSRVCCRXQDJ-MBOZVWFJSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000340182423 376936814 /nfs/dbraw/zinc/93/68/14/376936814.db2.gz MMBUUPCQFCPMIX-BBWFWOEESA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000340182423 376936821 /nfs/dbraw/zinc/93/68/21/376936821.db2.gz MMBUUPCQFCPMIX-BBWFWOEESA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+](Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000557524581 376942114 /nfs/dbraw/zinc/94/21/14/376942114.db2.gz BWDXBLAHQDINTR-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[N@@H+](Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000557524581 376942121 /nfs/dbraw/zinc/94/21/21/376942121.db2.gz BWDXBLAHQDINTR-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[NH+](Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000557524581 376942125 /nfs/dbraw/zinc/94/21/25/376942125.db2.gz BWDXBLAHQDINTR-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[NH+](Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000557524581 376942129 /nfs/dbraw/zinc/94/21/29/376942129.db2.gz BWDXBLAHQDINTR-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000340258514 376967743 /nfs/dbraw/zinc/96/77/43/376967743.db2.gz HTEMPDDXWZVYGV-BMFZPTHFSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000340258514 376967748 /nfs/dbraw/zinc/96/77/48/376967748.db2.gz HTEMPDDXWZVYGV-BMFZPTHFSA-N 2 2 262.441 3.172 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000340419080 377048290 /nfs/dbraw/zinc/04/82/90/377048290.db2.gz WBVHTONLJBOMGE-KGLIPLIRSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000340419080 377048300 /nfs/dbraw/zinc/04/83/00/377048300.db2.gz WBVHTONLJBOMGE-KGLIPLIRSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340443299 377060134 /nfs/dbraw/zinc/06/01/34/377060134.db2.gz GAPNBDSIEABRLW-FCLVOEFKSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000340443299 377060145 /nfs/dbraw/zinc/06/01/45/377060145.db2.gz GAPNBDSIEABRLW-FCLVOEFKSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000246944479 377123829 /nfs/dbraw/zinc/12/38/29/377123829.db2.gz HASNSYCWBQBDHU-IACUBPJLSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340468131 377078430 /nfs/dbraw/zinc/07/84/30/377078430.db2.gz JMUAIKZNCBUIFG-STQMWFEESA-N 2 2 261.344 3.271 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)on1 ZINC000246955059 377127263 /nfs/dbraw/zinc/12/72/63/377127263.db2.gz HNHCXXMIPZZILG-CJNGLKHVSA-N 2 2 293.455 3.398 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)on1 ZINC000246955059 377127267 /nfs/dbraw/zinc/12/72/67/377127267.db2.gz HNHCXXMIPZZILG-CJNGLKHVSA-N 2 2 293.455 3.398 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248034755 377260022 /nfs/dbraw/zinc/26/00/22/377260022.db2.gz RIPRFYQGWZEZTH-SJLPKXTDSA-N 2 2 289.467 3.318 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248034755 377260033 /nfs/dbraw/zinc/26/00/33/377260033.db2.gz RIPRFYQGWZEZTH-SJLPKXTDSA-N 2 2 289.467 3.318 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000562505229 377319337 /nfs/dbraw/zinc/31/93/37/377319337.db2.gz DIEBBSPMLKYFRH-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000562505229 377319342 /nfs/dbraw/zinc/31/93/42/377319342.db2.gz DIEBBSPMLKYFRH-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCCC[C@H]21 ZINC000248374314 377298086 /nfs/dbraw/zinc/29/80/86/377298086.db2.gz PKOJICUMXRKBCR-VNQPRFMTSA-N 2 2 269.392 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCCC[C@H]21 ZINC000248374314 377298091 /nfs/dbraw/zinc/29/80/91/377298091.db2.gz PKOJICUMXRKBCR-VNQPRFMTSA-N 2 2 269.392 3.345 20 0 CGADLP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000249049257 377450142 /nfs/dbraw/zinc/45/01/42/377450142.db2.gz NZQJVSGHEUBHAO-FRFSOERESA-N 2 2 285.391 3.090 20 0 CGADLP C[N@H+](CCCCOc1ccccc1)CCCn1cc[nH+]c1 ZINC000341130693 377411655 /nfs/dbraw/zinc/41/16/55/377411655.db2.gz SFYHZAFBDKHANV-UHFFFAOYSA-N 2 2 287.407 3.064 20 0 CGADLP C[N@@H+](CCCCOc1ccccc1)CCCn1cc[nH+]c1 ZINC000341130693 377411658 /nfs/dbraw/zinc/41/16/58/377411658.db2.gz SFYHZAFBDKHANV-UHFFFAOYSA-N 2 2 287.407 3.064 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249182020 377474911 /nfs/dbraw/zinc/47/49/11/377474911.db2.gz IRZMHFAJMRLMAZ-RCCFBDPRSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249182020 377474914 /nfs/dbraw/zinc/47/49/14/377474914.db2.gz IRZMHFAJMRLMAZ-RCCFBDPRSA-N 2 2 272.436 3.181 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CCC(C(C)(C)C)CC2)c1 ZINC000313257228 249089705 /nfs/dbraw/zinc/08/97/05/249089705.db2.gz VJGLCYUVTRUFSO-UHFFFAOYSA-N 2 2 263.429 3.157 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C)cc1 ZINC000313256295 249089726 /nfs/dbraw/zinc/08/97/26/249089726.db2.gz SYYXQXUGDKCGSS-MRXNPFEDSA-N 2 2 257.381 3.012 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2c(Cl)oc3ccccc32)c1 ZINC000313249331 249089849 /nfs/dbraw/zinc/08/98/49/249089849.db2.gz HOVXIGAANTUTSD-UHFFFAOYSA-N 2 2 289.766 3.152 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000313261340 249090304 /nfs/dbraw/zinc/09/03/04/249090304.db2.gz ACYJWTIUWYNJHM-NSHDSACASA-N 2 2 297.324 3.332 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000166708781 542174878 /nfs/dbraw/zinc/17/48/78/542174878.db2.gz XBXHNRIOTNTWLE-RRFJBIMHSA-N 2 2 291.464 3.119 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)n1 ZINC000166708781 542174883 /nfs/dbraw/zinc/17/48/83/542174883.db2.gz XBXHNRIOTNTWLE-RRFJBIMHSA-N 2 2 291.464 3.119 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[NH+](C)C ZINC000312706641 249082952 /nfs/dbraw/zinc/08/29/52/249082952.db2.gz SGLQTNXZYAVQAN-ONIAQPFYSA-N 2 2 274.452 3.499 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341404434 377553511 /nfs/dbraw/zinc/55/35/11/377553511.db2.gz NKHYWWDNXVTRLP-FGTMMUONSA-N 2 2 288.435 3.117 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000313283897 249090887 /nfs/dbraw/zinc/09/08/87/249090887.db2.gz QQKFKQIQOQCAJU-HNNXBMFYSA-N 2 2 261.413 3.055 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)[NH+](C)C ZINC000251079589 377572262 /nfs/dbraw/zinc/57/22/62/377572262.db2.gz HHIWWBBYAUXSTR-HYVNUMGLSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2ccccc2)CC1 ZINC000514600486 249182344 /nfs/dbraw/zinc/18/23/44/249182344.db2.gz PHNWGCRNQOHSGU-UHFFFAOYSA-N 2 2 252.361 3.211 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009664 249253814 /nfs/dbraw/zinc/25/38/14/249253814.db2.gz CPBPBDBGLVBCSL-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009664 249253817 /nfs/dbraw/zinc/25/38/17/249253817.db2.gz CPBPBDBGLVBCSL-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009664 249253820 /nfs/dbraw/zinc/25/38/20/249253820.db2.gz CPBPBDBGLVBCSL-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009664 249253821 /nfs/dbraw/zinc/25/38/21/249253821.db2.gz CPBPBDBGLVBCSL-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cscc1C(F)(F)F ZINC000518020417 249274977 /nfs/dbraw/zinc/27/49/77/249274977.db2.gz VLBIXROMHLSUKM-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000518020417 249274980 /nfs/dbraw/zinc/27/49/80/249274980.db2.gz VLBIXROMHLSUKM-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCCC2)CC1)[NH+](C)C ZINC000342113257 377629852 /nfs/dbraw/zinc/62/98/52/377629852.db2.gz PVQRRKWKOPSCDQ-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000252573766 377638374 /nfs/dbraw/zinc/63/83/74/377638374.db2.gz FILIFNKWUJQPLS-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000252573766 377638385 /nfs/dbraw/zinc/63/83/85/377638385.db2.gz FILIFNKWUJQPLS-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000574640861 377689508 /nfs/dbraw/zinc/68/95/08/377689508.db2.gz NRHGJUWXBDMYBO-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000574640861 377689512 /nfs/dbraw/zinc/68/95/12/377689512.db2.gz NRHGJUWXBDMYBO-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721973 377698897 /nfs/dbraw/zinc/69/88/97/377698897.db2.gz KPDXVWIHGXLLFV-KBXCAEBGSA-N 2 2 297.446 3.477 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721973 377698903 /nfs/dbraw/zinc/69/89/03/377698903.db2.gz KPDXVWIHGXLLFV-KBXCAEBGSA-N 2 2 297.446 3.477 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253132520 377678575 /nfs/dbraw/zinc/67/85/75/377678575.db2.gz XKQLMEGQACQDCL-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253132520 377678577 /nfs/dbraw/zinc/67/85/77/377678577.db2.gz XKQLMEGQACQDCL-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000253354013 377684141 /nfs/dbraw/zinc/68/41/41/377684141.db2.gz XTMDNQYFYQBPJM-DOTOQJQBSA-N 2 2 258.409 3.063 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000253354013 377684152 /nfs/dbraw/zinc/68/41/52/377684152.db2.gz XTMDNQYFYQBPJM-DOTOQJQBSA-N 2 2 258.409 3.063 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000574634182 377687338 /nfs/dbraw/zinc/68/73/38/377687338.db2.gz KZNYEKYKPFAFIG-UHFFFAOYSA-N 2 2 295.839 3.355 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000574634182 377687344 /nfs/dbraw/zinc/68/73/44/377687344.db2.gz KZNYEKYKPFAFIG-UHFFFAOYSA-N 2 2 295.839 3.355 20 0 CGADLP COC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)cc1 ZINC000574635115 377687795 /nfs/dbraw/zinc/68/77/95/377687795.db2.gz ZVPJPVGREJULGT-QGZVFWFLSA-N 2 2 288.366 3.049 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000575083412 377747294 /nfs/dbraw/zinc/74/72/94/377747294.db2.gz LCHAEBYBNQHQKA-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000575083412 377747299 /nfs/dbraw/zinc/74/72/99/377747299.db2.gz LCHAEBYBNQHQKA-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342745927 377770787 /nfs/dbraw/zinc/77/07/87/377770787.db2.gz YXJXFEPPKHZXRR-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000342745919 377770811 /nfs/dbraw/zinc/77/08/11/377770811.db2.gz YXJXFEPPKHZXRR-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([NH2+]C)CC1 ZINC000261591849 377823545 /nfs/dbraw/zinc/82/35/45/377823545.db2.gz YCLZDVUXOALVDL-OAHLLOKOSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000261605619 377825615 /nfs/dbraw/zinc/82/56/15/377825615.db2.gz APDGPTIWGFUTIL-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000261605619 377825620 /nfs/dbraw/zinc/82/56/20/377825620.db2.gz APDGPTIWGFUTIL-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP CCC[N@H+](Cc1cc(-c2ccccc2)on1)C1CC[NH2+]CC1 ZINC000261607336 377825887 /nfs/dbraw/zinc/82/58/87/377825887.db2.gz DBNXKWKVSFFWLZ-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP CCC[N@@H+](Cc1cc(-c2ccccc2)on1)C1CC[NH2+]CC1 ZINC000261607336 377825897 /nfs/dbraw/zinc/82/58/97/377825897.db2.gz DBNXKWKVSFFWLZ-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])on2)cc1 ZINC000261952108 377871187 /nfs/dbraw/zinc/87/11/87/377871187.db2.gz NENMRYIYALPEJP-KSSFIOAISA-N 2 2 299.418 3.352 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])on2)cc1 ZINC000261952108 377871189 /nfs/dbraw/zinc/87/11/89/377871189.db2.gz NENMRYIYALPEJP-KSSFIOAISA-N 2 2 299.418 3.352 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261998152 377878091 /nfs/dbraw/zinc/87/80/91/377878091.db2.gz TVVFIHMVWFNHPP-SNVBAGLBSA-N 2 2 292.370 3.198 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261998152 377878097 /nfs/dbraw/zinc/87/80/97/377878097.db2.gz TVVFIHMVWFNHPP-SNVBAGLBSA-N 2 2 292.370 3.198 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262125354 377888734 /nfs/dbraw/zinc/88/87/34/377888734.db2.gz XQVUZWRTCPZRCA-KBXCAEBGSA-N 2 2 296.414 3.141 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262125354 377888738 /nfs/dbraw/zinc/88/87/38/377888738.db2.gz XQVUZWRTCPZRCA-KBXCAEBGSA-N 2 2 296.414 3.141 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000261778120 377853307 /nfs/dbraw/zinc/85/33/07/377853307.db2.gz FHGLNZBSUCBTRK-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000261778120 377853313 /nfs/dbraw/zinc/85/33/13/377853313.db2.gz FHGLNZBSUCBTRK-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP CCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317370 377951852 /nfs/dbraw/zinc/95/18/52/377951852.db2.gz ZJBTWSHXQZTXGJ-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317370 377951859 /nfs/dbraw/zinc/95/18/59/377951859.db2.gz ZJBTWSHXQZTXGJ-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(F)c1F ZINC000343584181 378029163 /nfs/dbraw/zinc/02/91/63/378029163.db2.gz SNMQZMSFTCQMPJ-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(F)c1F ZINC000343584181 378029168 /nfs/dbraw/zinc/02/91/68/378029168.db2.gz SNMQZMSFTCQMPJ-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(F)c1F ZINC000343584181 378029174 /nfs/dbraw/zinc/02/91/74/378029174.db2.gz SNMQZMSFTCQMPJ-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(F)c1F ZINC000343584181 378029177 /nfs/dbraw/zinc/02/91/77/378029177.db2.gz SNMQZMSFTCQMPJ-CABCVRRESA-N 2 2 294.389 3.066 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000267885545 378046374 /nfs/dbraw/zinc/04/63/74/378046374.db2.gz QRZFMFQQNGYAMQ-GOEBONIOSA-N 2 2 299.418 3.222 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000267885545 378046379 /nfs/dbraw/zinc/04/63/79/378046379.db2.gz QRZFMFQQNGYAMQ-GOEBONIOSA-N 2 2 299.418 3.222 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000268804190 378115752 /nfs/dbraw/zinc/11/57/52/378115752.db2.gz INASZWFROVJBHT-VHSXEESVSA-N 2 2 283.297 3.040 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1nc2c(s1)CCC2 ZINC000579342050 378151418 /nfs/dbraw/zinc/15/14/18/378151418.db2.gz QQLNZEAVSSRBJU-VZJVUDMVSA-N 2 2 299.443 3.427 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000268783029 378108884 /nfs/dbraw/zinc/10/88/84/378108884.db2.gz ABILGUVEVPXBIH-NHYWBVRUSA-N 2 2 279.334 3.291 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000268783211 378109758 /nfs/dbraw/zinc/10/97/58/378109758.db2.gz AFIDZPQZXRJXEX-ZFWWWQNUSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777587 378192972 /nfs/dbraw/zinc/19/29/72/378192972.db2.gz SIAKRYYZZKVJME-STQMWFEESA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777587 378192977 /nfs/dbraw/zinc/19/29/77/378192977.db2.gz SIAKRYYZZKVJME-STQMWFEESA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777587 378192982 /nfs/dbraw/zinc/19/29/82/378192982.db2.gz SIAKRYYZZKVJME-STQMWFEESA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777587 378192985 /nfs/dbraw/zinc/19/29/85/378192985.db2.gz SIAKRYYZZKVJME-STQMWFEESA-N 2 2 295.496 3.213 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000345154033 378206576 /nfs/dbraw/zinc/20/65/76/378206576.db2.gz CNGKXTFQQXFZRQ-IAQYHMDHSA-N 2 2 270.367 3.346 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000579938599 378208775 /nfs/dbraw/zinc/20/87/75/378208775.db2.gz SSEACSZZGPYGOJ-QGZVFWFLSA-N 2 2 299.418 3.475 20 0 CGADLP CCC[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000580011445 378216453 /nfs/dbraw/zinc/21/64/53/378216453.db2.gz FFNHJCBUMCWYPE-KRWDZBQOSA-N 2 2 272.436 3.350 20 0 CGADLP CCC[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000580011445 378216458 /nfs/dbraw/zinc/21/64/58/378216458.db2.gz FFNHJCBUMCWYPE-KRWDZBQOSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000579400812 378157133 /nfs/dbraw/zinc/15/71/33/378157133.db2.gz NDAHYJJUDFOSTJ-CKEIUWERSA-N 2 2 258.409 3.166 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000579400812 378157136 /nfs/dbraw/zinc/15/71/36/378157136.db2.gz NDAHYJJUDFOSTJ-CKEIUWERSA-N 2 2 258.409 3.166 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2nc[nH]c2c1 ZINC000579528934 378168434 /nfs/dbraw/zinc/16/84/34/378168434.db2.gz XMHPPHYHMCRYSW-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2nc[nH]c2c1 ZINC000579528934 378168436 /nfs/dbraw/zinc/16/84/36/378168436.db2.gz XMHPPHYHMCRYSW-UHFFFAOYSA-N 2 2 288.439 3.117 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000579665706 378181588 /nfs/dbraw/zinc/18/15/88/378181588.db2.gz VANVTFUSCQESTC-XJKSGUPXSA-N 2 2 285.366 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000579665706 378181593 /nfs/dbraw/zinc/18/15/93/378181593.db2.gz VANVTFUSCQESTC-XJKSGUPXSA-N 2 2 285.366 3.036 20 0 CGADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000582132428 378288978 /nfs/dbraw/zinc/28/89/78/378288978.db2.gz MLINYZDYHHFHRU-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000582132428 378288980 /nfs/dbraw/zinc/28/89/80/378288980.db2.gz MLINYZDYHHFHRU-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000583525727 378327407 /nfs/dbraw/zinc/32/74/07/378327407.db2.gz ZWVPHDRIVSWQKU-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000583525727 378327410 /nfs/dbraw/zinc/32/74/10/378327410.db2.gz ZWVPHDRIVSWQKU-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000270839988 378404152 /nfs/dbraw/zinc/40/41/52/378404152.db2.gz NGHFSNWXRXDEFC-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000270839988 378404153 /nfs/dbraw/zinc/40/41/53/378404153.db2.gz NGHFSNWXRXDEFC-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CCC3CC3)n2c1 ZINC000345811092 378375634 /nfs/dbraw/zinc/37/56/34/378375634.db2.gz DNAJRPQHXDMWLS-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP CC(C)C[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000584410003 378382533 /nfs/dbraw/zinc/38/25/33/378382533.db2.gz GEJUBOTZUZHHBN-QGZVFWFLSA-N 2 2 260.425 3.112 20 0 CGADLP CC(C)C[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000584410003 378382536 /nfs/dbraw/zinc/38/25/36/378382536.db2.gz GEJUBOTZUZHHBN-QGZVFWFLSA-N 2 2 260.425 3.112 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1nccs1 ZINC000346161197 378483666 /nfs/dbraw/zinc/48/36/66/378483666.db2.gz DXUQYFNFENCYNY-UHFFFAOYSA-N 2 2 290.417 3.022 20 0 CGADLP C[C@H]1CC[C@H](C)[NH+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162393 378486169 /nfs/dbraw/zinc/48/61/69/378486169.db2.gz GDLUDIFFXVVJAO-RYUDHWBXSA-N 2 2 261.394 3.307 20 0 CGADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC(C)C ZINC000346182065 378495428 /nfs/dbraw/zinc/49/54/28/378495428.db2.gz RCQBNYSTRMWALS-UHFFFAOYSA-N 2 2 295.496 3.388 20 0 CGADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC(C)C ZINC000346182065 378495438 /nfs/dbraw/zinc/49/54/38/378495438.db2.gz RCQBNYSTRMWALS-UHFFFAOYSA-N 2 2 295.496 3.388 20 0 CGADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(C)C ZINC000346182065 378495443 /nfs/dbraw/zinc/49/54/43/378495443.db2.gz RCQBNYSTRMWALS-UHFFFAOYSA-N 2 2 295.496 3.388 20 0 CGADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(C)C ZINC000346182065 378495449 /nfs/dbraw/zinc/49/54/49/378495449.db2.gz RCQBNYSTRMWALS-UHFFFAOYSA-N 2 2 295.496 3.388 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000346219147 378509431 /nfs/dbraw/zinc/50/94/31/378509431.db2.gz RCSDWGIGERZKSS-UKRRQHHQSA-N 2 2 261.413 3.415 20 0 CGADLP Cc1cc(NCc2[nH+]ccn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000272433026 378636279 /nfs/dbraw/zinc/63/62/79/378636279.db2.gz JYNCMZUCOMGLQS-CQSZACIVSA-N 2 2 299.422 3.114 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346506757 378598776 /nfs/dbraw/zinc/59/87/76/378598776.db2.gz QCVVETLKCNQSRN-CXAGYDPISA-N 2 2 286.350 3.435 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000638017154 378669160 /nfs/dbraw/zinc/66/91/60/378669160.db2.gz DPSGKBALTZJOKS-CYBMUJFWSA-N 2 2 292.333 3.053 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000638017154 378669165 /nfs/dbraw/zinc/66/91/65/378669165.db2.gz DPSGKBALTZJOKS-CYBMUJFWSA-N 2 2 292.333 3.053 20 0 CGADLP Cn1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc2ccccc21 ZINC000638085815 378691429 /nfs/dbraw/zinc/69/14/29/378691429.db2.gz NDWOPGIJTLHIMU-UHFFFAOYSA-N 2 2 294.402 3.281 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000638112994 378702037 /nfs/dbraw/zinc/70/20/37/378702037.db2.gz PMIIDTZTWSCMCK-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000638112994 378702043 /nfs/dbraw/zinc/70/20/43/378702043.db2.gz PMIIDTZTWSCMCK-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128028 378711901 /nfs/dbraw/zinc/71/19/01/378711901.db2.gz OQHOLGLDIWIRGW-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128028 378711903 /nfs/dbraw/zinc/71/19/03/378711903.db2.gz OQHOLGLDIWIRGW-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128028 378711908 /nfs/dbraw/zinc/71/19/08/378711908.db2.gz OQHOLGLDIWIRGW-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128028 378711911 /nfs/dbraw/zinc/71/19/11/378711911.db2.gz OQHOLGLDIWIRGW-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP COC[C@H](Cc1ccccc1)[NH2+]CCCc1c[nH+]ccc1C ZINC000348085944 378783571 /nfs/dbraw/zinc/78/35/71/378783571.db2.gz MZASDEKYLKWCBC-IBGZPJMESA-N 2 2 298.430 3.170 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1c[nH]c2ncccc12 ZINC000348094124 378789303 /nfs/dbraw/zinc/78/93/03/378789303.db2.gz FVVBQADMRGQVAC-UHFFFAOYSA-N 2 2 294.402 3.031 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]CC2CCSCC2)c[nH+]1 ZINC000638417728 378795642 /nfs/dbraw/zinc/79/56/42/378795642.db2.gz ADTZGXFNKDDCMB-UHFFFAOYSA-N 2 2 287.432 3.105 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)s1 ZINC000346792140 218015711 /nfs/dbraw/zinc/01/57/11/218015711.db2.gz DNCGGOLCNQXMOF-XQQFMLRXSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)s1 ZINC000346792140 218015713 /nfs/dbraw/zinc/01/57/13/218015713.db2.gz DNCGGOLCNQXMOF-XQQFMLRXSA-N 2 2 252.427 3.190 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640376 296281965 /nfs/dbraw/zinc/28/19/65/296281965.db2.gz GKHKLRFKHZSQPP-FRRDWIJNSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640376 296281967 /nfs/dbraw/zinc/28/19/67/296281967.db2.gz GKHKLRFKHZSQPP-FRRDWIJNSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCSCC(F)(F)F ZINC000348128776 378803878 /nfs/dbraw/zinc/80/38/78/378803878.db2.gz BVMIKKHPINEZAR-UHFFFAOYSA-N 2 2 292.370 3.208 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CS[C@@H](C)C2)[NH+](C)C)cc1 ZINC000638448997 378807276 /nfs/dbraw/zinc/80/72/76/378807276.db2.gz YSCMMQHVFFOPAB-IMJJTQAJSA-N 2 2 278.465 3.081 20 0 CGADLP COc1cccc(C)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000638518795 378822651 /nfs/dbraw/zinc/82/26/51/378822651.db2.gz QJYYMGBBUKHVKX-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP CO[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000638518498 378823047 /nfs/dbraw/zinc/82/30/47/378823047.db2.gz MFLKFXZYEUQOMS-INIZCTEOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000278498051 194011977 /nfs/dbraw/zinc/01/19/77/194011977.db2.gz NBBWDERHTLULBJ-CQSZACIVSA-N 2 2 254.377 3.326 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348283356 378883508 /nfs/dbraw/zinc/88/35/08/378883508.db2.gz BWBMJZDTYZQTKM-UONOGXRCSA-N 2 2 284.350 3.073 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2C(F)F)C1 ZINC000348305135 378897543 /nfs/dbraw/zinc/89/75/43/378897543.db2.gz NNAIGOPKOPNDMN-BEAPCOKYSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]2C(F)F)C1 ZINC000348305135 378897545 /nfs/dbraw/zinc/89/75/45/378897545.db2.gz NNAIGOPKOPNDMN-BEAPCOKYSA-N 2 2 280.362 3.065 20 0 CGADLP Cc1ccc(C(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000274809228 378900288 /nfs/dbraw/zinc/90/02/88/378900288.db2.gz ULBRMTADJBUKKU-UHFFFAOYSA-N 2 2 297.402 3.171 20 0 CGADLP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638690313 378873568 /nfs/dbraw/zinc/87/35/68/378873568.db2.gz RKIYPFFGMOHURI-IPYPFGDCSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000348264474 378873945 /nfs/dbraw/zinc/87/39/45/378873945.db2.gz XCGUPIKELXXUAW-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000348264474 378873950 /nfs/dbraw/zinc/87/39/50/378873950.db2.gz XCGUPIKELXXUAW-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc2cccnc12 ZINC000347003119 218086994 /nfs/dbraw/zinc/08/69/94/218086994.db2.gz KPRGJRPJIAOHQF-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc2cccnc12 ZINC000347003119 218086996 /nfs/dbraw/zinc/08/69/96/218086996.db2.gz KPRGJRPJIAOHQF-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000347024995 218095809 /nfs/dbraw/zinc/09/58/09/218095809.db2.gz RUJUETVETIXLJW-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000347024995 218095810 /nfs/dbraw/zinc/09/58/10/218095810.db2.gz RUJUETVETIXLJW-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CC(C)COc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000347228141 218162776 /nfs/dbraw/zinc/16/27/76/218162776.db2.gz XBFHAIWDWZGVMO-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000347228141 218162779 /nfs/dbraw/zinc/16/27/79/218162779.db2.gz XBFHAIWDWZGVMO-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@@H](Nc1ccccc1CC[NH+](C)C)C1CC1 ZINC000639089135 379011559 /nfs/dbraw/zinc/01/15/59/379011559.db2.gz NSJPYBZVQZKOHB-KRWDZBQOSA-N 2 2 298.434 3.087 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c[nH+]1 ZINC000348898626 379104307 /nfs/dbraw/zinc/10/43/07/379104307.db2.gz YLKITVDBLISGQY-MRXNPFEDSA-N 2 2 297.402 3.090 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349143469 379169565 /nfs/dbraw/zinc/16/95/65/379169565.db2.gz BHNUNFRPSYIFIC-RBSFLKMASA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349143469 379169575 /nfs/dbraw/zinc/16/95/75/379169575.db2.gz BHNUNFRPSYIFIC-RBSFLKMASA-N 2 2 261.413 3.036 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349296228 379220746 /nfs/dbraw/zinc/22/07/46/379220746.db2.gz LCMVXVNDRYFEMY-UHFFFAOYSA-N 2 2 284.403 3.275 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349296228 379220752 /nfs/dbraw/zinc/22/07/52/379220752.db2.gz LCMVXVNDRYFEMY-UHFFFAOYSA-N 2 2 284.403 3.275 20 0 CGADLP CC(C)CC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373498097 379290646 /nfs/dbraw/zinc/29/06/46/379290646.db2.gz XINDFYNQTNFYKU-UHFFFAOYSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc2cccnc12 ZINC000349369520 379254262 /nfs/dbraw/zinc/25/42/62/379254262.db2.gz QCBJYIPIKDAPCW-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc2cccnc12 ZINC000349369520 379254268 /nfs/dbraw/zinc/25/42/68/379254268.db2.gz QCBJYIPIKDAPCW-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000278887855 194197113 /nfs/dbraw/zinc/19/71/13/194197113.db2.gz HOQXAXKEDKIILM-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000278887855 194197115 /nfs/dbraw/zinc/19/71/15/194197115.db2.gz HOQXAXKEDKIILM-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP COc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639374923 379331264 /nfs/dbraw/zinc/33/12/64/379331264.db2.gz MTDJBDBOOWQTRI-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000639380394 379340390 /nfs/dbraw/zinc/34/03/90/379340390.db2.gz YHQRLHSTADXSDN-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP c1cn(C2CC[NH+](CCCCC3CCOCC3)CC2)c[nH+]1 ZINC000374061474 379372654 /nfs/dbraw/zinc/37/26/54/379372654.db2.gz NMEVSUABQPMXSV-UHFFFAOYSA-N 2 2 291.439 3.117 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccon1 ZINC000349832934 379411546 /nfs/dbraw/zinc/41/15/46/379411546.db2.gz KHPTVFVGJCOBAQ-YCPHGPKFSA-N 2 2 291.439 3.368 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccon1 ZINC000349833397 379411725 /nfs/dbraw/zinc/41/17/25/379411725.db2.gz LAWBKCBARVDPEO-YQQAZPJKSA-N 2 2 299.418 3.378 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccon1 ZINC000349833397 379411731 /nfs/dbraw/zinc/41/17/31/379411731.db2.gz LAWBKCBARVDPEO-YQQAZPJKSA-N 2 2 299.418 3.378 20 0 CGADLP CCSCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320050 379418941 /nfs/dbraw/zinc/41/89/41/379418941.db2.gz FDTYPQJVZZSHTF-AWEZNQCLSA-N 2 2 293.480 3.152 20 0 CGADLP CCSCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320050 379418953 /nfs/dbraw/zinc/41/89/53/379418953.db2.gz FDTYPQJVZZSHTF-AWEZNQCLSA-N 2 2 293.480 3.152 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639476931 379422641 /nfs/dbraw/zinc/42/26/41/379422641.db2.gz MHQCYINDHAXPSK-MRXNPFEDSA-N 2 2 284.407 3.040 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639476931 379422648 /nfs/dbraw/zinc/42/26/48/379422648.db2.gz MHQCYINDHAXPSK-MRXNPFEDSA-N 2 2 284.407 3.040 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000279568124 379461051 /nfs/dbraw/zinc/46/10/51/379461051.db2.gz AIAPLKUYSNHDCD-LJQANCHMSA-N 2 2 295.430 3.163 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCF)CC1 ZINC000280141494 379618929 /nfs/dbraw/zinc/61/89/29/379618929.db2.gz CBQCUHFHTUJAEZ-UHFFFAOYSA-N 2 2 275.371 3.341 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](CCC(F)(F)F)CC1 ZINC000639987234 379677651 /nfs/dbraw/zinc/67/76/51/379677651.db2.gz ZGXHSELFGLAPPT-UHFFFAOYSA-N 2 2 278.362 3.279 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000280529370 379725239 /nfs/dbraw/zinc/72/52/39/379725239.db2.gz RSMVQAIMRKCNHR-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000280529370 379725246 /nfs/dbraw/zinc/72/52/46/379725246.db2.gz RSMVQAIMRKCNHR-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000280529370 379725254 /nfs/dbraw/zinc/72/52/54/379725254.db2.gz RSMVQAIMRKCNHR-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000280529370 379725261 /nfs/dbraw/zinc/72/52/61/379725261.db2.gz RSMVQAIMRKCNHR-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC(C)C ZINC000267339266 190322213 /nfs/dbraw/zinc/32/22/13/190322213.db2.gz BUTJGEJQXJLPNO-UHFFFAOYSA-N 2 2 272.396 3.135 20 0 CGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC(C)C ZINC000267339266 190322214 /nfs/dbraw/zinc/32/22/14/190322214.db2.gz BUTJGEJQXJLPNO-UHFFFAOYSA-N 2 2 272.396 3.135 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640219635 379747169 /nfs/dbraw/zinc/74/71/69/379747169.db2.gz MVJGMWOMPUQHAG-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000640219635 379747176 /nfs/dbraw/zinc/74/71/76/379747176.db2.gz MVJGMWOMPUQHAG-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)c(F)c1)CCC2 ZINC000377830613 379747936 /nfs/dbraw/zinc/74/79/36/379747936.db2.gz GBRSFEBMJCWTPZ-ZDUSSCGKSA-N 2 2 291.345 3.137 20 0 CGADLP COCc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377830863 379748218 /nfs/dbraw/zinc/74/82/18/379748218.db2.gz ICKVFCUASPCCNL-QGZVFWFLSA-N 2 2 299.418 3.005 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C)ccc3F)CC2)c1 ZINC000352337821 379769559 /nfs/dbraw/zinc/76/95/59/379769559.db2.gz LGWKROBRUBUCQS-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267414335 190328791 /nfs/dbraw/zinc/32/87/91/190328791.db2.gz IYJSUYQGDWUSHU-YCOJEUHLSA-N 2 2 267.376 3.303 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267414335 190328792 /nfs/dbraw/zinc/32/87/92/190328792.db2.gz IYJSUYQGDWUSHU-YCOJEUHLSA-N 2 2 267.376 3.303 20 0 CGADLP c1coc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267436102 190330700 /nfs/dbraw/zinc/33/07/00/190330700.db2.gz NUNYSKAUXSBWJS-LBPRGKRZSA-N 2 2 298.346 3.037 20 0 CGADLP c1coc(-c2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267436102 190330701 /nfs/dbraw/zinc/33/07/01/190330701.db2.gz NUNYSKAUXSBWJS-LBPRGKRZSA-N 2 2 298.346 3.037 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281928733 379847615 /nfs/dbraw/zinc/84/76/15/379847615.db2.gz OOJPEIRNISGYIB-OAHLLOKOSA-N 2 2 296.418 3.307 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352541114 379849049 /nfs/dbraw/zinc/84/90/49/379849049.db2.gz UFIJQXAYCCGFPV-LBPRGKRZSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352541114 379849058 /nfs/dbraw/zinc/84/90/58/379849058.db2.gz UFIJQXAYCCGFPV-LBPRGKRZSA-N 2 2 281.469 3.144 20 0 CGADLP FC1(F)CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281226104 379823442 /nfs/dbraw/zinc/82/34/42/379823442.db2.gz VHKOFJQJKQDHMS-ZDUSSCGKSA-N 2 2 295.377 3.075 20 0 CGADLP COc1ccc([C@H](C)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378436161 379824728 /nfs/dbraw/zinc/82/47/28/379824728.db2.gz BMMQAUHVFFUHMJ-CQSZACIVSA-N 2 2 299.418 3.401 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352685487 379908585 /nfs/dbraw/zinc/90/85/85/379908585.db2.gz UVGQYVLRVXOSKM-KEYYUXOJSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352685487 379908589 /nfs/dbraw/zinc/90/85/89/379908589.db2.gz UVGQYVLRVXOSKM-KEYYUXOJSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716839 379921874 /nfs/dbraw/zinc/92/18/74/379921874.db2.gz HQPZSYMWCYVOIX-ILOCAZANSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716839 379921878 /nfs/dbraw/zinc/92/18/78/379921878.db2.gz HQPZSYMWCYVOIX-ILOCAZANSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716839 379921885 /nfs/dbraw/zinc/92/18/85/379921885.db2.gz HQPZSYMWCYVOIX-ILOCAZANSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716839 379921893 /nfs/dbraw/zinc/92/18/93/379921893.db2.gz HQPZSYMWCYVOIX-ILOCAZANSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000388268056 379883791 /nfs/dbraw/zinc/88/37/91/379883791.db2.gz GAUPJCVXGRHYTO-DEYYWGMASA-N 2 2 299.418 3.336 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3occc3c2)CCC[N@@H+]1C ZINC000352730869 379928824 /nfs/dbraw/zinc/92/88/24/379928824.db2.gz HFRZRWOJMBYSJA-DOMZBBRYSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3occc3c2)CCC[N@H+]1C ZINC000352730869 379928831 /nfs/dbraw/zinc/92/88/31/379928831.db2.gz HFRZRWOJMBYSJA-DOMZBBRYSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389789069 379902703 /nfs/dbraw/zinc/90/27/03/379902703.db2.gz OERUOTLOLBUMNJ-YQQAZPJKSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389789069 379902710 /nfs/dbraw/zinc/90/27/10/379902710.db2.gz OERUOTLOLBUMNJ-YQQAZPJKSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389789065 379903425 /nfs/dbraw/zinc/90/34/25/379903425.db2.gz OERUOTLOLBUMNJ-HLLBOEOZSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389789065 379903430 /nfs/dbraw/zinc/90/34/30/379903430.db2.gz OERUOTLOLBUMNJ-HLLBOEOZSA-N 2 2 260.425 3.141 20 0 CGADLP CC[C@@H](C)C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347857978 218379725 /nfs/dbraw/zinc/37/97/25/218379725.db2.gz PKPKUYUMIAVNBW-GFCCVEGCSA-N 2 2 269.458 3.073 20 0 CGADLP CC[C@@H](C)C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347857978 218379727 /nfs/dbraw/zinc/37/97/27/218379727.db2.gz PKPKUYUMIAVNBW-GFCCVEGCSA-N 2 2 269.458 3.073 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000282590064 379950613 /nfs/dbraw/zinc/95/06/13/379950613.db2.gz IMCJOMSXOMYESN-HUUCEWRRSA-N 2 2 279.403 3.392 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000282590067 379950691 /nfs/dbraw/zinc/95/06/91/379950691.db2.gz IMCJOMSXOMYESN-LSDHHAIUSA-N 2 2 279.403 3.392 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000352771777 379952608 /nfs/dbraw/zinc/95/26/08/379952608.db2.gz OCJDFKISSFYNIX-LJQANCHMSA-N 2 2 297.446 3.345 20 0 CGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352772745 379952728 /nfs/dbraw/zinc/95/27/28/379952728.db2.gz RMAACBSNCQIMOG-OAHLLOKOSA-N 2 2 289.448 3.446 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)s1 ZINC000347854510 218378649 /nfs/dbraw/zinc/37/86/49/218378649.db2.gz CNGOGBXOEDRGBD-UKRRQHHQSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)s1 ZINC000347854510 218378651 /nfs/dbraw/zinc/37/86/51/218378651.db2.gz CNGOGBXOEDRGBD-UKRRQHHQSA-N 2 2 293.480 3.359 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000641337845 379991772 /nfs/dbraw/zinc/99/17/72/379991772.db2.gz HDISZSZJGNFIOH-CYBMUJFWSA-N 2 2 284.407 3.486 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000641337847 379992037 /nfs/dbraw/zinc/99/20/37/379992037.db2.gz HDISZSZJGNFIOH-ZDUSSCGKSA-N 2 2 284.407 3.486 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000352839090 379995185 /nfs/dbraw/zinc/99/51/85/379995185.db2.gz OAJMRTOACBJFDO-OTWHNJEPSA-N 2 2 284.447 3.350 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000352839090 379995189 /nfs/dbraw/zinc/99/51/89/379995189.db2.gz OAJMRTOACBJFDO-OTWHNJEPSA-N 2 2 284.447 3.350 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641464484 380011492 /nfs/dbraw/zinc/01/14/92/380011492.db2.gz STTCEOJRFGQHIS-ZDUSSCGKSA-N 2 2 284.407 3.107 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c2c1 ZINC000352903568 380029134 /nfs/dbraw/zinc/02/91/34/380029134.db2.gz PCBSUCIRLUQKCJ-IFXJQAMLSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c2c1 ZINC000352903568 380029136 /nfs/dbraw/zinc/02/91/36/380029136.db2.gz PCBSUCIRLUQKCJ-IFXJQAMLSA-N 2 2 297.446 3.091 20 0 CGADLP CCc1ccc[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000283764103 380087676 /nfs/dbraw/zinc/08/76/76/380087676.db2.gz BVSTYUHQUANNMH-UHFFFAOYSA-N 2 2 266.348 3.212 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352934988 380048124 /nfs/dbraw/zinc/04/81/24/380048124.db2.gz XKDYYIAQNJMPRU-PBHICJAKSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352934988 380048129 /nfs/dbraw/zinc/04/81/29/380048129.db2.gz XKDYYIAQNJMPRU-PBHICJAKSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352934988 380048133 /nfs/dbraw/zinc/04/81/33/380048133.db2.gz XKDYYIAQNJMPRU-PBHICJAKSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352934988 380048139 /nfs/dbraw/zinc/04/81/39/380048139.db2.gz XKDYYIAQNJMPRU-PBHICJAKSA-N 2 2 284.403 3.267 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)c1cc2cccc(F)c2o1 ZINC000353211114 380169163 /nfs/dbraw/zinc/16/91/63/380169163.db2.gz RCCTXELHPCKYIX-JTQLQIEISA-N 2 2 273.311 3.156 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000414112113 380191057 /nfs/dbraw/zinc/19/10/57/380191057.db2.gz JRVONMXGSDSMFI-SQDXWYPISA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000414112113 380191061 /nfs/dbraw/zinc/19/10/61/380191061.db2.gz JRVONMXGSDSMFI-SQDXWYPISA-N 2 2 272.436 3.456 20 0 CGADLP Cn1c[nH+]c(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000642803234 380198079 /nfs/dbraw/zinc/19/80/79/380198079.db2.gz RFXSYTRSFRYQSK-UHFFFAOYSA-N 2 2 295.390 3.108 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000286357373 380202253 /nfs/dbraw/zinc/20/22/53/380202253.db2.gz FUXQRLBIRQQRNB-VJTBZZIASA-N 2 2 292.373 3.193 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357373 380202260 /nfs/dbraw/zinc/20/22/60/380202260.db2.gz FUXQRLBIRQQRNB-VJTBZZIASA-N 2 2 292.373 3.193 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c3c(C)cccn23)cn1 ZINC000353181349 380156088 /nfs/dbraw/zinc/15/60/88/380156088.db2.gz MLYXTTCWILUQKK-UHFFFAOYSA-N 2 2 294.402 3.371 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945127 380247768 /nfs/dbraw/zinc/24/77/68/380247768.db2.gz NLUJFIKZVNQVLR-DLBZAZTESA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945127 380247772 /nfs/dbraw/zinc/24/77/72/380247772.db2.gz NLUJFIKZVNQVLR-DLBZAZTESA-N 3 2 289.467 3.175 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501403 380321970 /nfs/dbraw/zinc/32/19/70/380321970.db2.gz FUFBKVWUEPHKJD-NHYWBVRUSA-N 2 2 264.800 3.059 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501103 380322756 /nfs/dbraw/zinc/32/27/56/380322756.db2.gz USKKYBXRDPCJFO-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000643501321 380322937 /nfs/dbraw/zinc/32/29/37/380322937.db2.gz CVRPCCOBISOAMG-PWSUYJOCSA-N 2 2 270.779 3.272 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643507104 380329709 /nfs/dbraw/zinc/32/97/09/380329709.db2.gz SGABOUYBRKREEZ-QGZVFWFLSA-N 2 2 288.435 3.365 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000643507626 380330632 /nfs/dbraw/zinc/33/06/32/380330632.db2.gz LALOFLFLHVXWJB-HNNXBMFYSA-N 2 2 268.351 3.004 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507447 380330781 /nfs/dbraw/zinc/33/07/81/380330781.db2.gz DTMOBZXBYFDFFF-INIZCTEOSA-N 2 2 258.409 3.022 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000354037237 380292702 /nfs/dbraw/zinc/29/27/02/380292702.db2.gz ZXYTWKIOBFPCGN-KRWDZBQOSA-N 2 2 287.382 3.454 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000643464977 380313162 /nfs/dbraw/zinc/31/31/62/380313162.db2.gz URIDSYPGEKEUPL-NEPJUHHUSA-N 2 2 267.442 3.059 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205831 380364478 /nfs/dbraw/zinc/36/44/78/380364478.db2.gz JHUDQXCOMUEEET-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205831 380364486 /nfs/dbraw/zinc/36/44/86/380364486.db2.gz JHUDQXCOMUEEET-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205831 380364489 /nfs/dbraw/zinc/36/44/89/380364489.db2.gz JHUDQXCOMUEEET-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205831 380364495 /nfs/dbraw/zinc/36/44/95/380364495.db2.gz JHUDQXCOMUEEET-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414691971 380376787 /nfs/dbraw/zinc/37/67/87/380376787.db2.gz CJSZHLGKODZHQI-OLZOCXBDSA-N 2 2 283.485 3.380 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414691971 380376791 /nfs/dbraw/zinc/37/67/91/380376791.db2.gz CJSZHLGKODZHQI-OLZOCXBDSA-N 2 2 283.485 3.380 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000643526069 380340696 /nfs/dbraw/zinc/34/06/96/380340696.db2.gz OTGRPCIXUJRUAP-CABCVRRESA-N 2 2 284.403 3.263 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643537830 380355489 /nfs/dbraw/zinc/35/54/89/380355489.db2.gz RTTFMKNADJYMSR-JYJNAYRXSA-N 2 2 264.388 3.063 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)s1 ZINC000643538115 380355899 /nfs/dbraw/zinc/35/58/99/380355899.db2.gz YXOPMWFTQQCZMU-GUBZILKMSA-N 2 2 276.808 3.142 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2ccccc2o1 ZINC000643537804 380356172 /nfs/dbraw/zinc/35/61/72/380356172.db2.gz RBTTZHAMAKKTRN-ZQIUZPCESA-N 2 2 290.382 3.420 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000414827986 380438741 /nfs/dbraw/zinc/43/87/41/380438741.db2.gz ICHAEBAFFMOHCG-HZSPNIEDSA-N 2 2 286.341 3.397 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000414833723 380441675 /nfs/dbraw/zinc/44/16/75/380441675.db2.gz PYICWRAYFMGDPR-LJQANCHMSA-N 2 2 296.414 3.265 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000414835610 380443637 /nfs/dbraw/zinc/44/36/37/380443637.db2.gz VGSQNDIHMLCNRM-UHFFFAOYSA-N 2 2 270.376 3.178 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(O)c2)cc1 ZINC000414840713 380448188 /nfs/dbraw/zinc/44/81/88/380448188.db2.gz HCEGAQSGZSDTGH-GOSISDBHSA-N 2 2 284.403 3.305 20 0 CGADLP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414849463 380451116 /nfs/dbraw/zinc/45/11/16/380451116.db2.gz RFALNXSNVMHREG-INIZCTEOSA-N 2 2 299.418 3.009 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(F)cccc2Cl)CCCCC1 ZINC000414849108 380452296 /nfs/dbraw/zinc/45/22/96/380452296.db2.gz XEQAUNVLYIIBLY-UHFFFAOYSA-N 2 2 270.779 3.230 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000414850526 380454056 /nfs/dbraw/zinc/45/40/56/380454056.db2.gz SKPFINJJXWYLCK-LBPRGKRZSA-N 2 2 290.407 3.396 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414773320 380398032 /nfs/dbraw/zinc/39/80/32/380398032.db2.gz SLDZPQAUCOCKGS-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414773320 380398039 /nfs/dbraw/zinc/39/80/39/380398039.db2.gz SLDZPQAUCOCKGS-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c[nH+]1 ZINC000354333787 380402912 /nfs/dbraw/zinc/40/29/12/380402912.db2.gz KEIPTBGOVWXPJB-KRWDZBQOSA-N 3 2 291.483 3.279 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414789587 380404712 /nfs/dbraw/zinc/40/47/12/380404712.db2.gz FKEUVGNNSAPDMW-LLVKDONJSA-N 2 2 292.757 3.014 20 0 CGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000354351692 380410304 /nfs/dbraw/zinc/41/03/04/380410304.db2.gz MWJVTGQIJSNLTJ-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414795949 380410444 /nfs/dbraw/zinc/41/04/44/380410444.db2.gz BEFALMLYGFNAKK-UHFFFAOYSA-N 2 2 298.430 3.498 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)cc1F ZINC000414809267 380422185 /nfs/dbraw/zinc/42/21/85/380422185.db2.gz LVGBNKKZHVWNTH-UHFFFAOYSA-N 2 2 258.768 3.086 20 0 CGADLP c1sc(C[NH2+]CC[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000414908926 380485819 /nfs/dbraw/zinc/48/58/19/380485819.db2.gz SEBXKYDOWXXRDV-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccccc2)N(C)C)c[nH+]1 ZINC000354566129 380487016 /nfs/dbraw/zinc/48/70/16/380487016.db2.gz KWOPOPPJGFWAFI-LJQANCHMSA-N 2 2 297.446 3.215 20 0 CGADLP Cc1ccc(CCC[NH2+]C2CCC(F)(F)CC2)c[nH+]1 ZINC000354578881 380491578 /nfs/dbraw/zinc/49/15/78/380491578.db2.gz ZAMARKLDUWMYNV-UHFFFAOYSA-N 2 2 268.351 3.490 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000414929710 380493689 /nfs/dbraw/zinc/49/36/89/380493689.db2.gz OYIUXAZBRVSNOM-AWEZNQCLSA-N 2 2 298.377 3.156 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000354648972 380515444 /nfs/dbraw/zinc/51/54/44/380515444.db2.gz NQFUZWIBKDFKHM-HZPDHXFCSA-N 2 2 276.424 3.117 20 0 CGADLP CC(C)n1nccc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000354508846 380464229 /nfs/dbraw/zinc/46/42/29/380464229.db2.gz JXOLHGFBGNWDJW-UHFFFAOYSA-N 2 2 280.460 3.063 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000414874604 380468557 /nfs/dbraw/zinc/46/85/57/380468557.db2.gz IPCMNMOEOBEQDW-UHFFFAOYSA-N 2 2 292.732 3.330 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+]CC3([NH3+])CCC3)s2)cc1 ZINC000414891132 380475412 /nfs/dbraw/zinc/47/54/12/380475412.db2.gz VEJQPXYIODAGIH-UHFFFAOYSA-N 2 2 287.432 3.090 20 0 CGADLP Cc1ccc(CCC[NH2+]CCSCC(F)(F)F)c[nH+]1 ZINC000354548653 380481659 /nfs/dbraw/zinc/48/16/59/380481659.db2.gz SMTMKQOMQBYVGN-UHFFFAOYSA-N 2 2 292.370 3.208 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645094589 380577535 /nfs/dbraw/zinc/57/75/35/380577535.db2.gz CWPPUNYQJAKXNI-HZPDHXFCSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645094589 380577544 /nfs/dbraw/zinc/57/75/44/380577544.db2.gz CWPPUNYQJAKXNI-HZPDHXFCSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417298316 380585909 /nfs/dbraw/zinc/58/59/09/380585909.db2.gz KWEJJLMOGYBQEX-MELADBBJSA-N 2 2 275.421 3.117 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417308103 380589236 /nfs/dbraw/zinc/58/92/36/380589236.db2.gz FESDNLGSJUEXJH-XDQVBPFNSA-N 2 2 275.421 3.115 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000355127876 380589525 /nfs/dbraw/zinc/58/95/25/380589525.db2.gz WNQGRJVJTWASLW-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314405 380591300 /nfs/dbraw/zinc/59/13/00/380591300.db2.gz RENZSGMPRLHURX-MYZSUADSSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314405 380591304 /nfs/dbraw/zinc/59/13/04/380591304.db2.gz RENZSGMPRLHURX-MYZSUADSSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000417344225 380600303 /nfs/dbraw/zinc/60/03/03/380600303.db2.gz VQHBFSFYGIMOLW-DJIMGWMZSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000417344225 380600313 /nfs/dbraw/zinc/60/03/13/380600313.db2.gz VQHBFSFYGIMOLW-DJIMGWMZSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000417355924 380605402 /nfs/dbraw/zinc/60/54/02/380605402.db2.gz ORWXYHYBIOPAFO-HOTGVXAUSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417357552 380607496 /nfs/dbraw/zinc/60/74/96/380607496.db2.gz RSFFVCGVUMNZEK-DZGCQCFKSA-N 2 2 258.409 3.227 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1ccco1 ZINC000355775901 380774223 /nfs/dbraw/zinc/77/42/23/380774223.db2.gz QVFRADMUTIELQY-OAHLLOKOSA-N 2 2 299.374 3.103 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419339569 380808481 /nfs/dbraw/zinc/80/84/81/380808481.db2.gz UZSCZTKBDFOAIL-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419339569 380808489 /nfs/dbraw/zinc/80/84/89/380808489.db2.gz UZSCZTKBDFOAIL-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000334787823 207075406 /nfs/dbraw/zinc/07/54/06/207075406.db2.gz YGOKNNRBKRZZSV-SMDDNHRTSA-N 2 2 276.355 3.144 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000334787823 207075411 /nfs/dbraw/zinc/07/54/11/207075411.db2.gz YGOKNNRBKRZZSV-SMDDNHRTSA-N 2 2 276.355 3.144 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000357431082 381155358 /nfs/dbraw/zinc/15/53/58/381155358.db2.gz AGLUOQKSVDCUBM-DYVFJYSZSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000357431082 381155366 /nfs/dbraw/zinc/15/53/66/381155366.db2.gz AGLUOQKSVDCUBM-DYVFJYSZSA-N 2 2 290.476 3.122 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801747 207102734 /nfs/dbraw/zinc/10/27/34/207102734.db2.gz PBYOTOQWRIQUAA-IAQYHMDHSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801747 207102739 /nfs/dbraw/zinc/10/27/39/207102739.db2.gz PBYOTOQWRIQUAA-IAQYHMDHSA-N 2 2 290.436 3.040 20 0 CGADLP CCc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)o1 ZINC000360152999 381460919 /nfs/dbraw/zinc/46/09/19/381460919.db2.gz ANUKTOBAJMXKSH-UHFFFAOYSA-N 2 2 264.413 3.054 20 0 CGADLP CCCC[C@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360238291 381492823 /nfs/dbraw/zinc/49/28/23/381492823.db2.gz MLAQNLCZSVYEHD-HNNXBMFYSA-N 2 2 284.488 3.434 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000360249902 381498575 /nfs/dbraw/zinc/49/85/75/381498575.db2.gz NJIBWEBUBZSCHQ-UHFFFAOYSA-N 2 2 290.451 3.295 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccccn1 ZINC000289177534 197255014 /nfs/dbraw/zinc/25/50/14/197255014.db2.gz FSLMSVCLXNPZDH-AWEZNQCLSA-N 2 2 255.365 3.068 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000360986022 381641550 /nfs/dbraw/zinc/64/15/50/381641550.db2.gz JBBDYVFFHZGUAD-CRAIPNDOSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000360986022 381641554 /nfs/dbraw/zinc/64/15/54/381641554.db2.gz JBBDYVFFHZGUAD-CRAIPNDOSA-N 2 2 288.435 3.234 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000362700846 382100940 /nfs/dbraw/zinc/10/09/40/382100940.db2.gz WCCLRUFJNDAUBE-HUBLWGQQSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000362700846 382100943 /nfs/dbraw/zinc/10/09/43/382100943.db2.gz WCCLRUFJNDAUBE-HUBLWGQQSA-N 2 2 289.448 3.287 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000235510520 542312907 /nfs/dbraw/zinc/31/29/07/542312907.db2.gz RHUATDREXJJMLL-NWDGAFQWSA-N 2 2 252.789 3.133 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000252979429 542351924 /nfs/dbraw/zinc/35/19/24/542351924.db2.gz HWNOHYHQYSXEBB-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000252979429 542351920 /nfs/dbraw/zinc/35/19/20/542351920.db2.gz HWNOHYHQYSXEBB-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)s1 ZINC000352834935 532958007 /nfs/dbraw/zinc/95/80/07/532958007.db2.gz MKCTVVOVBIYPGV-NSHDSACASA-N 2 2 281.450 3.092 20 0 CGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000349655852 218896662 /nfs/dbraw/zinc/89/66/62/218896662.db2.gz NPQLKUAZALWVKV-UHFFFAOYSA-N 2 2 295.839 3.148 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747391 220300971 /nfs/dbraw/zinc/30/09/71/220300971.db2.gz MCQMRTYDOFPVMJ-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747391 220300976 /nfs/dbraw/zinc/30/09/76/220300976.db2.gz MCQMRTYDOFPVMJ-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747391 220300980 /nfs/dbraw/zinc/30/09/80/220300980.db2.gz MCQMRTYDOFPVMJ-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747391 220300983 /nfs/dbraw/zinc/30/09/83/220300983.db2.gz MCQMRTYDOFPVMJ-WFASDCNBSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749522 220302652 /nfs/dbraw/zinc/30/26/52/220302652.db2.gz LNOPLHWXAYLUTN-MLGOLLRUSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749522 220302653 /nfs/dbraw/zinc/30/26/53/220302653.db2.gz LNOPLHWXAYLUTN-MLGOLLRUSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749522 220302654 /nfs/dbraw/zinc/30/26/54/220302654.db2.gz LNOPLHWXAYLUTN-MLGOLLRUSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000353749522 220302655 /nfs/dbraw/zinc/30/26/55/220302655.db2.gz LNOPLHWXAYLUTN-MLGOLLRUSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770446 220317650 /nfs/dbraw/zinc/31/76/50/220317650.db2.gz UWFPAGLUQVOQJX-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770446 220317654 /nfs/dbraw/zinc/31/76/54/220317654.db2.gz UWFPAGLUQVOQJX-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770446 220317655 /nfs/dbraw/zinc/31/76/55/220317655.db2.gz UWFPAGLUQVOQJX-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770446 220317659 /nfs/dbraw/zinc/31/76/59/220317659.db2.gz UWFPAGLUQVOQJX-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766810 220315997 /nfs/dbraw/zinc/31/59/97/220315997.db2.gz ISDXRMOSAJZALU-AAEUAGOBSA-N 2 2 270.804 3.095 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766810 220316001 /nfs/dbraw/zinc/31/60/01/220316001.db2.gz ISDXRMOSAJZALU-AAEUAGOBSA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766810 220316005 /nfs/dbraw/zinc/31/60/05/220316005.db2.gz ISDXRMOSAJZALU-AAEUAGOBSA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766810 220316009 /nfs/dbraw/zinc/31/60/09/220316009.db2.gz ISDXRMOSAJZALU-AAEUAGOBSA-N 2 2 270.804 3.095 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccccc1F ZINC000289324384 197297874 /nfs/dbraw/zinc/29/78/74/197297874.db2.gz UDTBJZSWQCSEFQ-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285708800 542388720 /nfs/dbraw/zinc/38/87/20/542388720.db2.gz OSCZNKSHMMJPRN-RHSMWYFYSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285708800 542388723 /nfs/dbraw/zinc/38/87/23/542388723.db2.gz OSCZNKSHMMJPRN-RHSMWYFYSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000281159907 195128933 /nfs/dbraw/zinc/12/89/33/195128933.db2.gz HCTXJOXMUTYYRT-BRWVUGGUSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000281159907 195128936 /nfs/dbraw/zinc/12/89/36/195128936.db2.gz HCTXJOXMUTYYRT-BRWVUGGUSA-N 2 2 287.451 3.100 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289290423 197285376 /nfs/dbraw/zinc/28/53/76/197285376.db2.gz PQAYJYVURFBRSB-MRXNPFEDSA-N 2 2 289.467 3.318 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000289059191 197224740 /nfs/dbraw/zinc/22/47/40/197224740.db2.gz AKNCJGUEXJMHTL-LJQANCHMSA-N 2 2 298.430 3.210 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000424266869 533113857 /nfs/dbraw/zinc/11/38/57/533113857.db2.gz LQPHNNKNBLUGHZ-VXGBXAGGSA-N 2 2 293.798 3.284 20 0 CGADLP COc1cccc(C[N@H+](C)CCCc2c[nH+]ccc2C)c1 ZINC000288983900 197206604 /nfs/dbraw/zinc/20/66/04/197206604.db2.gz CPOAIOZXYYQWFX-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1cccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)c1 ZINC000288983900 197206606 /nfs/dbraw/zinc/20/66/06/197206606.db2.gz CPOAIOZXYYQWFX-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000306382800 542421019 /nfs/dbraw/zinc/42/10/19/542421019.db2.gz URVAESFUAZMDBN-INIZCTEOSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000306382800 542421020 /nfs/dbraw/zinc/42/10/20/542421020.db2.gz URVAESFUAZMDBN-INIZCTEOSA-N 2 2 268.404 3.297 20 0 CGADLP Cc1cc(N(CC[NH+]2CCCCCC2)C(C)C)nc(C)[nH+]1 ZINC000353872124 291928986 /nfs/dbraw/zinc/92/89/86/291928986.db2.gz CZYZLQOVKWTXLX-UHFFFAOYSA-N 2 2 290.455 3.184 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000339074444 542485778 /nfs/dbraw/zinc/48/57/78/542485778.db2.gz LLZMCLOUKDWFEF-SOUVJXGZSA-N 2 2 291.464 3.119 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)s1 ZINC000339074444 542485781 /nfs/dbraw/zinc/48/57/81/542485781.db2.gz LLZMCLOUKDWFEF-SOUVJXGZSA-N 2 2 291.464 3.119 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000348120043 542516577 /nfs/dbraw/zinc/51/65/77/542516577.db2.gz HSQATZGTSBHNQF-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000348120043 542516581 /nfs/dbraw/zinc/51/65/81/542516581.db2.gz HSQATZGTSBHNQF-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1scnc1C1CC1 ZINC000349416139 542525137 /nfs/dbraw/zinc/52/51/37/542525137.db2.gz JTJUZMDKFHQKLF-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1scnc1C1CC1 ZINC000349416139 542525140 /nfs/dbraw/zinc/52/51/40/542525140.db2.gz JTJUZMDKFHQKLF-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP COC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000443213884 285413257 /nfs/dbraw/zinc/41/32/57/285413257.db2.gz JCXNDOYINYFRDH-FHLIZLRMSA-N 2 2 290.451 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000423368089 533498773 /nfs/dbraw/zinc/49/87/73/533498773.db2.gz NBHDXQCCXOLXDW-NKWVEPMBSA-N 2 2 265.159 3.130 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000423270811 533510921 /nfs/dbraw/zinc/51/09/21/533510921.db2.gz WYHFCNROMVAHRD-WBMJQRKESA-N 2 2 264.388 3.384 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423542385 533517717 /nfs/dbraw/zinc/51/77/17/533517717.db2.gz AUVJOILJFSEGLI-DGCLKSJQSA-N 2 2 264.438 3.030 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423556760 533541423 /nfs/dbraw/zinc/54/14/23/533541423.db2.gz MPZOFIKKDCBOGC-RISCZKNCSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000379435227 542594101 /nfs/dbraw/zinc/59/41/01/542594101.db2.gz JUVOSZMDQOGAGH-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000379435227 542594103 /nfs/dbraw/zinc/59/41/03/542594103.db2.gz JUVOSZMDQOGAGH-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054467793 392092284 /nfs/dbraw/zinc/09/22/84/392092284.db2.gz OTVXQMCHJSOTBB-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054467793 392092288 /nfs/dbraw/zinc/09/22/88/392092288.db2.gz OTVXQMCHJSOTBB-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000061377442 392127378 /nfs/dbraw/zinc/12/73/78/392127378.db2.gz GPXXBAHMRSCPMI-INIZCTEOSA-N 2 2 296.480 3.147 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000061377442 392127382 /nfs/dbraw/zinc/12/73/82/392127382.db2.gz GPXXBAHMRSCPMI-INIZCTEOSA-N 2 2 296.480 3.147 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCC23CCC3)[nH+]c1 ZINC000282078907 392280178 /nfs/dbraw/zinc/28/01/78/392280178.db2.gz HMYAHCHPUDURGZ-AWEZNQCLSA-N 2 2 259.397 3.196 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C)C1 ZINC000361689409 392296283 /nfs/dbraw/zinc/29/62/83/392296283.db2.gz KVWRKGHALAYJRG-AWEZNQCLSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000361689409 392296285 /nfs/dbraw/zinc/29/62/85/392296285.db2.gz KVWRKGHALAYJRG-AWEZNQCLSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000361826373 392335822 /nfs/dbraw/zinc/33/58/22/392335822.db2.gz WPEHJLWGZKHHKT-ZFWWWQNUSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000361826373 392335829 /nfs/dbraw/zinc/33/58/29/392335829.db2.gz WPEHJLWGZKHHKT-ZFWWWQNUSA-N 2 2 269.392 3.411 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOC1CCCCCC1 ZINC000434982161 542657236 /nfs/dbraw/zinc/65/72/36/542657236.db2.gz ODWGKCGMAUUQDL-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOC1CCCCCC1 ZINC000434982161 542657243 /nfs/dbraw/zinc/65/72/43/542657243.db2.gz ODWGKCGMAUUQDL-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCCCCC1 ZINC000434982161 542657247 /nfs/dbraw/zinc/65/72/47/542657247.db2.gz ODWGKCGMAUUQDL-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CCCCCC1 ZINC000434982161 542657250 /nfs/dbraw/zinc/65/72/50/542657250.db2.gz ODWGKCGMAUUQDL-SJORKVTESA-N 2 2 294.483 3.284 20 0 CGADLP CC1(C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000432823254 542653816 /nfs/dbraw/zinc/65/38/16/542653816.db2.gz JIASXSUSFVAVKH-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP CC1(C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000432823254 542653819 /nfs/dbraw/zinc/65/38/19/542653819.db2.gz JIASXSUSFVAVKH-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C)cc1 ZINC000361965829 392376694 /nfs/dbraw/zinc/37/66/94/392376694.db2.gz ISZBRQZCAAWTBN-SJORKVTESA-N 2 2 292.492 3.473 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1 ZINC000361981307 392380769 /nfs/dbraw/zinc/38/07/69/392380769.db2.gz NZVJSKMESQGBLL-BVGQSLNGSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1 ZINC000361981307 392380773 /nfs/dbraw/zinc/38/07/73/392380773.db2.gz NZVJSKMESQGBLL-BVGQSLNGSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000290489793 392448024 /nfs/dbraw/zinc/44/80/24/392448024.db2.gz VUUCODJMAUKPMP-IAGOWNOFSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000290489793 392448030 /nfs/dbraw/zinc/44/80/30/392448030.db2.gz VUUCODJMAUKPMP-IAGOWNOFSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1C ZINC000131688911 392458493 /nfs/dbraw/zinc/45/84/93/392458493.db2.gz JYKKANPTRGBRBV-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1C ZINC000131688911 392458499 /nfs/dbraw/zinc/45/84/99/392458499.db2.gz JYKKANPTRGBRBV-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP CCC[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291504611 392461941 /nfs/dbraw/zinc/46/19/41/392461941.db2.gz HRBILLSEGHSLGU-MRXNPFEDSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[C@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291504611 392461947 /nfs/dbraw/zinc/46/19/47/392461947.db2.gz HRBILLSEGHSLGU-MRXNPFEDSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccnc2C)[nH+]1 ZINC000362084623 392401029 /nfs/dbraw/zinc/40/10/29/392401029.db2.gz DPKLNDLKNRVZAW-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccnc2C)[nH+]1 ZINC000362084623 392401035 /nfs/dbraw/zinc/40/10/35/392401035.db2.gz DPKLNDLKNRVZAW-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000291785611 392482152 /nfs/dbraw/zinc/48/21/52/392482152.db2.gz VLGZHKDEDZPYJE-UHFFFAOYSA-N 2 2 299.393 3.454 20 0 CGADLP Cc1cccc(NCc2ccc(C[NH+](C)C)c(F)c2)[nH+]1 ZINC000158271827 392562361 /nfs/dbraw/zinc/56/23/61/392562361.db2.gz GYBBBNNESQOCOX-UHFFFAOYSA-N 2 2 273.355 3.203 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)c(C)c1 ZINC000297834666 392571129 /nfs/dbraw/zinc/57/11/29/392571129.db2.gz ZZGWYIDFFWNORU-MRXNPFEDSA-N 2 2 283.419 3.069 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)c(C)c1 ZINC000297834666 392571131 /nfs/dbraw/zinc/57/11/31/392571131.db2.gz ZZGWYIDFFWNORU-MRXNPFEDSA-N 2 2 283.419 3.069 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000158679175 392573725 /nfs/dbraw/zinc/57/37/25/392573725.db2.gz YMISRLYKVRSNCI-ZNMIVQPWSA-N 2 2 264.413 3.298 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccco1 ZINC000158679175 392573733 /nfs/dbraw/zinc/57/37/33/392573733.db2.gz YMISRLYKVRSNCI-ZNMIVQPWSA-N 2 2 264.413 3.298 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000161896826 392588245 /nfs/dbraw/zinc/58/82/45/392588245.db2.gz BGDMBSJUEURXMQ-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000161896826 392588248 /nfs/dbraw/zinc/58/82/48/392588248.db2.gz BGDMBSJUEURXMQ-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000161896826 392588251 /nfs/dbraw/zinc/58/82/51/392588251.db2.gz BGDMBSJUEURXMQ-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000161896826 392588254 /nfs/dbraw/zinc/58/82/54/392588254.db2.gz BGDMBSJUEURXMQ-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352211 392625196 /nfs/dbraw/zinc/62/51/96/392625196.db2.gz NUPASZFFPZPQBV-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352211 392625199 /nfs/dbraw/zinc/62/51/99/392625199.db2.gz NUPASZFFPZPQBV-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919283 392736974 /nfs/dbraw/zinc/73/69/74/392736974.db2.gz IWIHILKZCPDXOY-WCVJEAGWSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919283 392736979 /nfs/dbraw/zinc/73/69/79/392736979.db2.gz IWIHILKZCPDXOY-WCVJEAGWSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000507919281 392736990 /nfs/dbraw/zinc/73/69/90/392736990.db2.gz IWIHILKZCPDXOY-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000507919281 392736996 /nfs/dbraw/zinc/73/69/96/392736996.db2.gz IWIHILKZCPDXOY-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482594 392737241 /nfs/dbraw/zinc/73/72/41/392737241.db2.gz RVJYRPGMTXAHCT-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482594 392737246 /nfs/dbraw/zinc/73/72/46/392737246.db2.gz RVJYRPGMTXAHCT-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Clc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647483018 392738853 /nfs/dbraw/zinc/73/88/53/392738853.db2.gz RQEPOAWWYFMDNJ-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647483018 392738856 /nfs/dbraw/zinc/73/88/56/392738856.db2.gz RQEPOAWWYFMDNJ-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647497742 392740971 /nfs/dbraw/zinc/74/09/71/392740971.db2.gz SYIZRRAPZNYAQE-WFASDCNBSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647497742 392740972 /nfs/dbraw/zinc/74/09/72/392740972.db2.gz SYIZRRAPZNYAQE-WFASDCNBSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356395 392703067 /nfs/dbraw/zinc/70/30/67/392703067.db2.gz LRPLXUSZQGOONH-VDCDIQELSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356395 392703071 /nfs/dbraw/zinc/70/30/71/392703071.db2.gz LRPLXUSZQGOONH-VDCDIQELSA-N 2 2 299.462 3.070 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCc4occc43)cn21 ZINC000647364059 392707641 /nfs/dbraw/zinc/70/76/41/392707641.db2.gz QWTHSMCAKUPJGR-MRXNPFEDSA-N 2 2 295.386 3.445 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC34CCCC4)cn21 ZINC000647363978 392708289 /nfs/dbraw/zinc/70/82/89/392708289.db2.gz PHHOPUMQUCHCTN-MRXNPFEDSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(C)c1F ZINC000334326880 392720730 /nfs/dbraw/zinc/72/07/30/392720730.db2.gz BRIBSRSEPMOCSB-GXTWGEPZSA-N 2 2 287.382 3.374 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(C)c1F ZINC000334326880 392720734 /nfs/dbraw/zinc/72/07/34/392720734.db2.gz BRIBSRSEPMOCSB-GXTWGEPZSA-N 2 2 287.382 3.374 20 0 CGADLP Clc1cc(Cl)cc(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000647939349 392839112 /nfs/dbraw/zinc/83/91/12/392839112.db2.gz KWKBYVLPRRBKEP-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP Clc1cc(Cl)cc(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000647939349 392839118 /nfs/dbraw/zinc/83/91/18/392839118.db2.gz KWKBYVLPRRBKEP-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1[NH3+] ZINC000647938617 392839396 /nfs/dbraw/zinc/83/93/96/392839396.db2.gz QQCXOPDPHWWBDV-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1[NH3+] ZINC000647938617 392839399 /nfs/dbraw/zinc/83/93/99/392839399.db2.gz QQCXOPDPHWWBDV-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000375455647 392783338 /nfs/dbraw/zinc/78/33/38/392783338.db2.gz CKPVYLTUSWEWGW-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000375455647 392783340 /nfs/dbraw/zinc/78/33/40/392783340.db2.gz CKPVYLTUSWEWGW-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@H](C[NH2+]CC[C@H](C)c1ccccc1)[N@H+](C)C1CC1 ZINC000194429041 392918904 /nfs/dbraw/zinc/91/89/04/392918904.db2.gz INTVZVZNPCRTAP-LSDHHAIUSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+]CC[C@H](C)c1ccccc1)[N@@H+](C)C1CC1 ZINC000194429041 392918910 /nfs/dbraw/zinc/91/89/10/392918910.db2.gz INTVZVZNPCRTAP-LSDHHAIUSA-N 2 2 260.425 3.253 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381519029 392909058 /nfs/dbraw/zinc/90/90/58/392909058.db2.gz MGZYIHOYRAARPM-WXGPCXSOSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381519029 392909062 /nfs/dbraw/zinc/90/90/62/392909062.db2.gz MGZYIHOYRAARPM-WXGPCXSOSA-N 2 2 264.457 3.275 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194354532 392916005 /nfs/dbraw/zinc/91/60/05/392916005.db2.gz USCSZKNGAYGXKO-HZPDHXFCSA-N 2 2 298.434 3.039 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000336406251 392854210 /nfs/dbraw/zinc/85/42/10/392854210.db2.gz WTDSMXCWOXGKHC-BLLLJJGKSA-N 2 2 257.381 3.042 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000336406251 392854212 /nfs/dbraw/zinc/85/42/12/392854212.db2.gz WTDSMXCWOXGKHC-BLLLJJGKSA-N 2 2 257.381 3.042 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194354547 392916435 /nfs/dbraw/zinc/91/64/35/392916435.db2.gz USCSZKNGAYGXKO-CVEARBPZSA-N 2 2 298.434 3.039 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000336704872 392867431 /nfs/dbraw/zinc/86/74/31/392867431.db2.gz HMLRBIBCSXFHCL-GOEBONIOSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000336704872 392867434 /nfs/dbraw/zinc/86/74/34/392867434.db2.gz HMLRBIBCSXFHCL-GOEBONIOSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000390520009 392926461 /nfs/dbraw/zinc/92/64/61/392926461.db2.gz GFZNESDJUKILLM-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000390520009 392926471 /nfs/dbraw/zinc/92/64/71/392926471.db2.gz GFZNESDJUKILLM-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000400714415 392947833 /nfs/dbraw/zinc/94/78/33/392947833.db2.gz FIVAKQOOXTUFSE-GDLCADMTSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000648432461 393013750 /nfs/dbraw/zinc/01/37/50/393013750.db2.gz LJWZCXOHGBSSBY-ZFWWWQNUSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000648432461 393013753 /nfs/dbraw/zinc/01/37/53/393013753.db2.gz LJWZCXOHGBSSBY-ZFWWWQNUSA-N 2 2 272.392 3.048 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000648524196 393083547 /nfs/dbraw/zinc/08/35/47/393083547.db2.gz QSYRMTQQRWSHQL-VDHUWJSZSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]C3(C)C)oc2cc1C ZINC000415032719 393105057 /nfs/dbraw/zinc/10/50/57/393105057.db2.gz GKXXSHDBPDFENM-INIZCTEOSA-N 2 2 272.392 3.280 20 0 CGADLP CCCc1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415038182 393106263 /nfs/dbraw/zinc/10/62/63/393106263.db2.gz HQHNZBOXVZZTSU-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1csc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415038182 393106271 /nfs/dbraw/zinc/10/62/71/393106271.db2.gz HQHNZBOXVZZTSU-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414957939 393064595 /nfs/dbraw/zinc/06/45/95/393064595.db2.gz RKBINMBVWPHODY-KDOFPFPSSA-N 2 2 288.435 3.238 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415036936 393107181 /nfs/dbraw/zinc/10/71/81/393107181.db2.gz KRHBQDNVSVBIJE-INIZCTEOSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414963676 393068502 /nfs/dbraw/zinc/06/85/02/393068502.db2.gz XWTSPSNEJVZEGV-WBMJQRKESA-N 2 2 288.366 3.316 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000415061729 393121443 /nfs/dbraw/zinc/12/14/43/393121443.db2.gz DEFSCZRTVFSENU-JQHSSLGASA-N 2 2 290.451 3.042 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000252001794 393121406 /nfs/dbraw/zinc/12/14/06/393121406.db2.gz ZZHHBFZDVDJUNS-VBQJREDUSA-N 2 2 269.392 3.500 20 0 CGADLP c1cc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)cs1 ZINC000415064592 393123709 /nfs/dbraw/zinc/12/37/09/393123709.db2.gz CWZLGNBSZHHZEV-UHFFFAOYSA-N 2 2 293.461 3.103 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC000415069171 393128563 /nfs/dbraw/zinc/12/85/63/393128563.db2.gz OFRIOVDLYXPTJA-NSHDSACASA-N 2 2 290.304 3.076 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000548150802 393181301 /nfs/dbraw/zinc/18/13/01/393181301.db2.gz ZVEPXBCKCQGIDF-HOTGVXAUSA-N 2 2 261.413 3.245 20 0 CGADLP C[C@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccc(F)cc1F ZINC000415113936 393148560 /nfs/dbraw/zinc/14/85/60/393148560.db2.gz SYRDFPMBOHENFC-LLVKDONJSA-N 2 2 270.367 3.046 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000415125461 393153621 /nfs/dbraw/zinc/15/36/21/393153621.db2.gz DZIPHLKCOCBXCP-UHFFFAOYSA-N 2 2 291.222 3.043 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000415125461 393153633 /nfs/dbraw/zinc/15/36/33/393153633.db2.gz DZIPHLKCOCBXCP-UHFFFAOYSA-N 2 2 291.222 3.043 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nccc2ccccc21 ZINC000353266232 393217635 /nfs/dbraw/zinc/21/76/35/393217635.db2.gz ZNEFEYYERFIOLX-OFQRWUPVSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccc2ccccc21 ZINC000353266232 393217640 /nfs/dbraw/zinc/21/76/40/393217640.db2.gz ZNEFEYYERFIOLX-OFQRWUPVSA-N 2 2 283.419 3.368 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000274203828 393281579 /nfs/dbraw/zinc/28/15/79/393281579.db2.gz JADWASZGTWFGIH-CABCVRRESA-N 2 2 287.407 3.016 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000474946380 393361767 /nfs/dbraw/zinc/36/17/67/393361767.db2.gz ZLMOEKXTHDFXRW-LVQVYYBASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000474946380 393361772 /nfs/dbraw/zinc/36/17/72/393361772.db2.gz ZLMOEKXTHDFXRW-LVQVYYBASA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647171592 393366412 /nfs/dbraw/zinc/36/64/12/393366412.db2.gz OXWRPPGTHNWCSA-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000647171592 393366418 /nfs/dbraw/zinc/36/64/18/393366418.db2.gz OXWRPPGTHNWCSA-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000649425131 393420806 /nfs/dbraw/zinc/42/08/06/393420806.db2.gz CVLNGSDCBXUDFT-UHFFFAOYSA-N 2 2 255.365 3.073 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCCCC1 ZINC000482538761 393439684 /nfs/dbraw/zinc/43/96/84/393439684.db2.gz ARSDZDOVEIENJZ-XJKSGUPXSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCCCC1 ZINC000482538761 393439687 /nfs/dbraw/zinc/43/96/87/393439687.db2.gz ARSDZDOVEIENJZ-XJKSGUPXSA-N 2 2 252.446 3.418 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])CNc1cccc(C)[nH+]1 ZINC000420278111 393448475 /nfs/dbraw/zinc/44/84/75/393448475.db2.gz NTSUPPDSOFWRJT-HNNXBMFYSA-N 2 2 255.365 3.064 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420300105 393456129 /nfs/dbraw/zinc/45/61/29/393456129.db2.gz HEFDJAKFXLOZPU-VIFPVBQESA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000420300105 393456131 /nfs/dbraw/zinc/45/61/31/393456131.db2.gz HEFDJAKFXLOZPU-VIFPVBQESA-N 2 2 273.207 3.305 20 0 CGADLP [NH3+]CC[N@H+](CCCCC(F)(F)F)Cc1ccccc1 ZINC000420306121 393457608 /nfs/dbraw/zinc/45/76/08/393457608.db2.gz KTNZHTZVPIDZIJ-UHFFFAOYSA-N 2 2 274.330 3.180 20 0 CGADLP [NH3+]CC[N@@H+](CCCCC(F)(F)F)Cc1ccccc1 ZINC000420306121 393457614 /nfs/dbraw/zinc/45/76/14/393457614.db2.gz KTNZHTZVPIDZIJ-UHFFFAOYSA-N 2 2 274.330 3.180 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000420365760 393474468 /nfs/dbraw/zinc/47/44/68/393474468.db2.gz LMNVXQMTEBHSRB-USXUVBGUSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000420365757 393475642 /nfs/dbraw/zinc/47/56/42/393475642.db2.gz LMNVXQMTEBHSRB-DZHLUBAWSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378779 393478380 /nfs/dbraw/zinc/47/83/80/393478380.db2.gz XFZYGBLMHPMXQY-GYSYKLTISA-N 2 2 268.351 3.100 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417124 393504484 /nfs/dbraw/zinc/50/44/84/393504484.db2.gz VSUWTWNCXDMMBW-ZIAGYGMSSA-N 2 2 272.502 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417124 393504486 /nfs/dbraw/zinc/50/44/86/393504486.db2.gz VSUWTWNCXDMMBW-ZIAGYGMSSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000488420063 393506584 /nfs/dbraw/zinc/50/65/84/393506584.db2.gz VUBRGJBFTZRXAJ-VNHYZAJKSA-N 2 2 255.365 3.179 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000488424256 393507329 /nfs/dbraw/zinc/50/73/29/393507329.db2.gz CHUCYLVTZKURLM-MNNVXMFVSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000488424256 393507331 /nfs/dbraw/zinc/50/73/31/393507331.db2.gz CHUCYLVTZKURLM-MNNVXMFVSA-N 2 2 286.463 3.457 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C[C@H]2C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000488431258 393510876 /nfs/dbraw/zinc/51/08/76/393510876.db2.gz KPIODUYTUQXWRL-NXHRZFHOSA-N 2 2 272.436 3.378 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CS1 ZINC000488452277 393519967 /nfs/dbraw/zinc/51/99/67/393519967.db2.gz UXMWAJTWMBZLGL-ZACQAIPSSA-N 2 2 296.524 3.371 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CS1 ZINC000488452277 393519975 /nfs/dbraw/zinc/51/99/75/393519975.db2.gz UXMWAJTWMBZLGL-ZACQAIPSSA-N 2 2 296.524 3.371 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358130643 393520598 /nfs/dbraw/zinc/52/05/98/393520598.db2.gz MSXZZTFZWFHJHT-BVGQSLNGSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358130643 393520601 /nfs/dbraw/zinc/52/06/01/393520601.db2.gz MSXZZTFZWFHJHT-BVGQSLNGSA-N 2 2 270.420 3.055 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227147 393521191 /nfs/dbraw/zinc/52/11/91/393521191.db2.gz NSTVVCWLGMZZKX-UTJXIGIESA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227147 393521197 /nfs/dbraw/zinc/52/11/97/393521197.db2.gz NSTVVCWLGMZZKX-UTJXIGIESA-N 2 2 258.409 3.165 20 0 CGADLP Cc1ccccc1C1([NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000649644571 393522057 /nfs/dbraw/zinc/52/20/57/393522057.db2.gz JDCHSFMODFCULM-UHFFFAOYSA-N 2 2 269.392 3.251 20 0 CGADLP CC(C)C1CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000488461285 393523283 /nfs/dbraw/zinc/52/32/83/393523283.db2.gz KUKLRELSLGGKJF-UHFFFAOYSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000360155454 393561307 /nfs/dbraw/zinc/56/13/07/393561307.db2.gz ZRACYQDCUBSQJV-BYCMXARLSA-N 2 2 276.424 3.141 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000360155454 393561313 /nfs/dbraw/zinc/56/13/13/393561313.db2.gz ZRACYQDCUBSQJV-BYCMXARLSA-N 2 2 276.424 3.141 20 0 CGADLP CC(C)[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccsc1 ZINC000421014984 393575298 /nfs/dbraw/zinc/57/52/98/393575298.db2.gz SNXZILUNBVTJEV-CYBMUJFWSA-N 2 2 263.410 3.416 20 0 CGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccsc1 ZINC000421014984 393575303 /nfs/dbraw/zinc/57/53/03/393575303.db2.gz SNXZILUNBVTJEV-CYBMUJFWSA-N 2 2 263.410 3.416 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(OC2CCCC2)c1 ZINC000666768801 542814470 /nfs/dbraw/zinc/81/44/70/542814470.db2.gz NBQBEUWFZYNXIU-INIZCTEOSA-N 2 2 288.435 3.240 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666768550 542814732 /nfs/dbraw/zinc/81/47/32/542814732.db2.gz JXLGYJHDBUIVJA-ZDUSSCGKSA-N 2 2 273.207 3.225 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cscc1Cl)C1CCCCC1 ZINC000666801113 542816873 /nfs/dbraw/zinc/81/68/73/542816873.db2.gz ZKZNPXVRTPCBCH-CYBMUJFWSA-N 2 2 272.845 3.399 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000360762421 393584110 /nfs/dbraw/zinc/58/41/10/393584110.db2.gz GLAVDSSMKGBLFY-FHIRATQRSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000360762421 393584115 /nfs/dbraw/zinc/58/41/15/393584115.db2.gz GLAVDSSMKGBLFY-FHIRATQRSA-N 2 2 276.399 3.002 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC3 ZINC000491366802 393682883 /nfs/dbraw/zinc/68/28/83/393682883.db2.gz JLOXODFIMHWONB-AWEZNQCLSA-N 2 2 299.462 3.263 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@H]1CCCC[NH2+]1 ZINC000423091059 393650739 /nfs/dbraw/zinc/65/07/39/393650739.db2.gz ZBQSSBXIOWXQPV-VUCTXSBTSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000423147696 393652169 /nfs/dbraw/zinc/65/21/69/393652169.db2.gz SRFOFPVHAKTWDB-JCURWCKSSA-N 2 2 276.399 3.323 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229389 393654937 /nfs/dbraw/zinc/65/49/37/393654937.db2.gz BCOYDOZKJGQLJS-WMLDXEAASA-N 2 2 288.435 3.365 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000361061952 393661446 /nfs/dbraw/zinc/66/14/46/393661446.db2.gz VQKDFHOTQADXDB-XYJFISCASA-N 2 2 290.451 3.227 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000361061952 393661451 /nfs/dbraw/zinc/66/14/51/393661451.db2.gz VQKDFHOTQADXDB-XYJFISCASA-N 2 2 290.451 3.227 20 0 CGADLP Cc1cccc2c1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000433031045 393672652 /nfs/dbraw/zinc/67/26/52/393672652.db2.gz IADCJYFHAYOUJL-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1cccc2c1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000433031045 393672654 /nfs/dbraw/zinc/67/26/54/393672654.db2.gz IADCJYFHAYOUJL-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP CC[C@@H](F)C[N@H+](C)[C@@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767434 393734252 /nfs/dbraw/zinc/73/42/52/393734252.db2.gz UMHYNXNJJZUIIV-QLFBSQMISA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767434 393734255 /nfs/dbraw/zinc/73/42/55/393734255.db2.gz UMHYNXNJJZUIIV-QLFBSQMISA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC000440767434 393734260 /nfs/dbraw/zinc/73/42/60/393734260.db2.gz UMHYNXNJJZUIIV-QLFBSQMISA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC000440767434 393734262 /nfs/dbraw/zinc/73/42/62/393734262.db2.gz UMHYNXNJJZUIIV-QLFBSQMISA-N 2 2 276.415 3.269 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000443093623 393743894 /nfs/dbraw/zinc/74/38/94/393743894.db2.gz NCDFOXKIHUQENS-KGLIPLIRSA-N 2 2 275.421 3.390 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000493734660 393773237 /nfs/dbraw/zinc/77/32/37/393773237.db2.gz IQJLQLNMOQXOII-IGCXYCKISA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000493734660 393773244 /nfs/dbraw/zinc/77/32/44/393773244.db2.gz IQJLQLNMOQXOII-IGCXYCKISA-N 2 2 276.399 3.267 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778020 /nfs/dbraw/zinc/77/80/20/393778020.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778022 /nfs/dbraw/zinc/77/80/22/393778022.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778023 /nfs/dbraw/zinc/77/80/23/393778023.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125703 393778026 /nfs/dbraw/zinc/77/80/26/393778026.db2.gz BSJHUAZVOZHWNZ-CZUORRHYSA-N 2 2 286.444 3.427 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369023 393782064 /nfs/dbraw/zinc/78/20/64/393782064.db2.gz IBCYCGZFXAYMGO-IAQYHMDHSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369023 393782065 /nfs/dbraw/zinc/78/20/65/393782065.db2.gz IBCYCGZFXAYMGO-IAQYHMDHSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[N@@H+]1C ZINC000449174403 393875503 /nfs/dbraw/zinc/87/55/03/393875503.db2.gz PKIQIMACSGJCRI-XWIASGKRSA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[N@H+]1C ZINC000449174403 393875509 /nfs/dbraw/zinc/87/55/09/393875509.db2.gz PKIQIMACSGJCRI-XWIASGKRSA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557421 393901567 /nfs/dbraw/zinc/90/15/67/393901567.db2.gz RBTBNCMDRCVEEC-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000501120124 393847812 /nfs/dbraw/zinc/84/78/12/393847812.db2.gz LGQNCDODBLEGNK-OAHLLOKOSA-N 2 2 262.441 3.284 20 0 CGADLP CCCc1ncc(C[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000449614815 393922206 /nfs/dbraw/zinc/92/22/06/393922206.db2.gz WYKJDBBXRMNPJN-UHFFFAOYSA-N 2 2 273.380 3.053 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450503437 394007374 /nfs/dbraw/zinc/00/73/74/394007374.db2.gz XNVRQXDKDQOIDV-DZGCQCFKSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450503437 394007378 /nfs/dbraw/zinc/00/73/78/394007378.db2.gz XNVRQXDKDQOIDV-DZGCQCFKSA-N 2 2 296.361 3.360 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984142 394040169 /nfs/dbraw/zinc/04/01/69/394040169.db2.gz UKYIWVJGSNIIOV-BZSNNMDCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984142 394040170 /nfs/dbraw/zinc/04/01/70/394040170.db2.gz UKYIWVJGSNIIOV-BZSNNMDCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984142 394040173 /nfs/dbraw/zinc/04/01/73/394040173.db2.gz UKYIWVJGSNIIOV-BZSNNMDCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984142 394040175 /nfs/dbraw/zinc/04/01/75/394040175.db2.gz UKYIWVJGSNIIOV-BZSNNMDCSA-N 2 2 296.499 3.265 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453064836 394157958 /nfs/dbraw/zinc/15/79/58/394157958.db2.gz UOQRXDVMKCVDIX-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453064836 394157961 /nfs/dbraw/zinc/15/79/61/394157961.db2.gz UOQRXDVMKCVDIX-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453185959 394199513 /nfs/dbraw/zinc/19/95/13/394199513.db2.gz WFHYTSDHQQWALH-QGZVFWFLSA-N 2 2 258.409 3.491 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000453406822 394236166 /nfs/dbraw/zinc/23/61/66/394236166.db2.gz UKZMEENQMIDLRA-HIFRSBDPSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000453406822 394236171 /nfs/dbraw/zinc/23/61/71/394236171.db2.gz UKZMEENQMIDLRA-HIFRSBDPSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000548653963 289014557 /nfs/dbraw/zinc/01/45/57/289014557.db2.gz NDHGEBXRGIOVAL-KBPBESRZSA-N 2 2 264.438 3.148 20 0 CGADLP CC[N@H+](CCC(F)(F)F)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667567983 542891615 /nfs/dbraw/zinc/89/16/15/542891615.db2.gz OFKZARZOOVHJLU-UHFFFAOYSA-N 2 2 298.312 3.042 20 0 CGADLP CC[N@@H+](CCC(F)(F)F)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667567983 542891618 /nfs/dbraw/zinc/89/16/18/542891618.db2.gz OFKZARZOOVHJLU-UHFFFAOYSA-N 2 2 298.312 3.042 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)n1C ZINC000667534150 542885718 /nfs/dbraw/zinc/88/57/18/542885718.db2.gz OKLJDEYIQROOSB-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n1C ZINC000667534150 542885720 /nfs/dbraw/zinc/88/57/20/542885720.db2.gz OKLJDEYIQROOSB-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1C ZINC000667533023 542885751 /nfs/dbraw/zinc/88/57/51/542885751.db2.gz CHVOEQSRCOYCMB-MRXNPFEDSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1C ZINC000667533023 542885754 /nfs/dbraw/zinc/88/57/54/542885754.db2.gz CHVOEQSRCOYCMB-MRXNPFEDSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)n1C ZINC000667642221 542902887 /nfs/dbraw/zinc/90/28/87/542902887.db2.gz SPIIVMFBISUORM-CQSZACIVSA-N 2 2 263.429 3.377 20 0 CGADLP Fc1ccc(C[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667642676 542903114 /nfs/dbraw/zinc/90/31/14/542903114.db2.gz GZEKYFHEYXHLPK-OAHLLOKOSA-N 2 2 299.393 3.033 20 0 CGADLP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670939 542911588 /nfs/dbraw/zinc/91/15/88/542911588.db2.gz CDPLZHGBZIZFJJ-NVXWUHKLSA-N 2 2 295.430 3.282 20 0 CGADLP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670939 542911590 /nfs/dbraw/zinc/91/15/90/542911590.db2.gz CDPLZHGBZIZFJJ-NVXWUHKLSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000667818825 542932907 /nfs/dbraw/zinc/93/29/07/542932907.db2.gz FNABXGNLOZUAHB-XDNAFOTISA-N 2 2 272.436 3.376 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(C)(CC(C)C)CC2)n1C ZINC000668174926 542981999 /nfs/dbraw/zinc/98/19/99/542981999.db2.gz DICIVNWYMKSMHZ-UHFFFAOYSA-N 2 2 263.429 3.377 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668431080 543012706 /nfs/dbraw/zinc/01/27/06/543012706.db2.gz VUZVUIOSKIUHPM-ZBFHGGJFSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668431080 543012707 /nfs/dbraw/zinc/01/27/07/543012707.db2.gz VUZVUIOSKIUHPM-ZBFHGGJFSA-N 2 2 290.451 3.176 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668460064 543014898 /nfs/dbraw/zinc/01/48/98/543014898.db2.gz KLWDXGXKFJPRDF-UQPPLGOBSA-N 2 2 288.435 3.059 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668460064 543014900 /nfs/dbraw/zinc/01/49/00/543014900.db2.gz KLWDXGXKFJPRDF-UQPPLGOBSA-N 2 2 288.435 3.059 20 0 CGADLP CC1=CC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668616450 543035845 /nfs/dbraw/zinc/03/58/45/543035845.db2.gz NAFWHNKJOMIEIO-CVEARBPZSA-N 2 2 250.430 3.195 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3ccc(O)cc32)c[nH+]1 ZINC000668614955 543035931 /nfs/dbraw/zinc/03/59/31/543035931.db2.gz GHRRAYSQXXNEJG-GOSISDBHSA-N 2 2 282.387 3.305 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000668617071 543036165 /nfs/dbraw/zinc/03/61/65/543036165.db2.gz VSOKNUHWHWNUNB-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000550627644 289079659 /nfs/dbraw/zinc/07/96/59/289079659.db2.gz BAAIETPADQSKKT-INIZCTEOSA-N 2 2 280.843 3.202 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000550627644 289079663 /nfs/dbraw/zinc/07/96/63/289079663.db2.gz BAAIETPADQSKKT-INIZCTEOSA-N 2 2 280.843 3.202 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154355 543142136 /nfs/dbraw/zinc/14/21/36/543142136.db2.gz NUYQPQDTRMFLOK-PVAVHDDUSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154355 543142138 /nfs/dbraw/zinc/14/21/38/543142138.db2.gz NUYQPQDTRMFLOK-PVAVHDDUSA-N 2 2 260.425 3.108 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000671098995 543159685 /nfs/dbraw/zinc/15/96/85/543159685.db2.gz GIXAMOLYUKTMRD-HOTGVXAUSA-N 2 2 284.488 3.290 20 0 CGADLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CCC2)CC1 ZINC000671729394 543182218 /nfs/dbraw/zinc/18/22/18/543182218.db2.gz IAPDDHBVYGCSAJ-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2ncsc2c1 ZINC000649588494 397716756 /nfs/dbraw/zinc/71/67/56/397716756.db2.gz POPVCUWRTISLON-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000649588494 397716758 /nfs/dbraw/zinc/71/67/58/397716758.db2.gz POPVCUWRTISLON-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2ncsc2c1 ZINC000649588495 397717201 /nfs/dbraw/zinc/71/72/01/397717201.db2.gz POPVCUWRTISLON-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2ncsc2c1 ZINC000649588495 397717204 /nfs/dbraw/zinc/71/72/04/397717204.db2.gz POPVCUWRTISLON-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCC2)CO1 ZINC000649823786 397730591 /nfs/dbraw/zinc/73/05/91/397730591.db2.gz NOTQPQXDPNTPQJ-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCC2)CO1 ZINC000649823786 397730594 /nfs/dbraw/zinc/73/05/94/397730594.db2.gz NOTQPQXDPNTPQJ-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710473 397898054 /nfs/dbraw/zinc/89/80/54/397898054.db2.gz PQRLEBPBLGHUEB-IRXDYDNUSA-N 3 2 295.515 3.151 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710473 397898055 /nfs/dbraw/zinc/89/80/55/397898055.db2.gz PQRLEBPBLGHUEB-IRXDYDNUSA-N 3 2 295.515 3.151 20 0 CGADLP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c2ccsc21 ZINC000675151364 543317940 /nfs/dbraw/zinc/31/79/40/543317940.db2.gz QAWSOEDYAINVJE-LBPRGKRZSA-N 2 2 275.421 3.005 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000675639597 543350783 /nfs/dbraw/zinc/35/07/83/543350783.db2.gz QPZUQYHYKNLXSL-HNNXBMFYSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000675639597 543350785 /nfs/dbraw/zinc/35/07/85/543350785.db2.gz QPZUQYHYKNLXSL-HNNXBMFYSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767319 543362619 /nfs/dbraw/zinc/36/26/19/543362619.db2.gz SJKHJEOBAAAYLS-VXGBXAGGSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767319 543362621 /nfs/dbraw/zinc/36/26/21/543362621.db2.gz SJKHJEOBAAAYLS-VXGBXAGGSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675735729 543359064 /nfs/dbraw/zinc/35/90/64/543359064.db2.gz VSKMQRUOGRHEKT-SIIHOXLZSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675735729 543359067 /nfs/dbraw/zinc/35/90/67/543359067.db2.gz VSKMQRUOGRHEKT-SIIHOXLZSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675735730 543359179 /nfs/dbraw/zinc/35/91/79/543359179.db2.gz VSKMQRUOGRHEKT-XUWXXGDYSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675735730 543359180 /nfs/dbraw/zinc/35/91/80/543359180.db2.gz VSKMQRUOGRHEKT-XUWXXGDYSA-N 2 2 270.420 3.309 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675832951 543367517 /nfs/dbraw/zinc/36/75/17/543367517.db2.gz FEVKPJQHFDJWDX-ULQDDVLXSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832951 543367520 /nfs/dbraw/zinc/36/75/20/543367520.db2.gz FEVKPJQHFDJWDX-ULQDDVLXSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)CC3CCC3)[nH+]c12 ZINC000675924977 543374457 /nfs/dbraw/zinc/37/44/57/543374457.db2.gz DASUJKUSXLWMLO-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712533 543411846 /nfs/dbraw/zinc/41/18/46/543411846.db2.gz NABHFNRIVMNURY-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712533 543411847 /nfs/dbraw/zinc/41/18/47/543411847.db2.gz NABHFNRIVMNURY-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712533 543411849 /nfs/dbraw/zinc/41/18/49/543411849.db2.gz NABHFNRIVMNURY-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712533 543411850 /nfs/dbraw/zinc/41/18/50/543411850.db2.gz NABHFNRIVMNURY-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cscn1 ZINC000678113941 543484275 /nfs/dbraw/zinc/48/42/75/543484275.db2.gz PRDIWMSEPGICEE-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678768202 543554820 /nfs/dbraw/zinc/55/48/20/543554820.db2.gz HGLDUQFYSRZFIO-RKVPGOIHSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678768202 543554823 /nfs/dbraw/zinc/55/48/23/543554823.db2.gz HGLDUQFYSRZFIO-RKVPGOIHSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281885 289266271 /nfs/dbraw/zinc/26/62/71/289266271.db2.gz RDBIPHDJVHEREU-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281885 289266274 /nfs/dbraw/zinc/26/62/74/289266274.db2.gz RDBIPHDJVHEREU-NCOADZHNSA-N 2 2 264.457 3.371 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344028824 286389846 /nfs/dbraw/zinc/38/98/46/286389846.db2.gz AZFGSSKJTVVECX-LTIDMASMSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344028824 286389848 /nfs/dbraw/zinc/38/98/48/286389848.db2.gz AZFGSSKJTVVECX-LTIDMASMSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC(F)(F)CC1 ZINC000423246111 287036317 /nfs/dbraw/zinc/03/63/17/287036317.db2.gz PGFYHXDBBIWOCF-DOMZBBRYSA-N 2 2 282.378 3.490 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000088454799 165196363 /nfs/dbraw/zinc/19/63/63/165196363.db2.gz GCJXFMMLTYTTAB-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCC3CC3)C2)cc1 ZINC000088454799 165196367 /nfs/dbraw/zinc/19/63/67/165196367.db2.gz GCJXFMMLTYTTAB-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc([NH+]2CCCC2)cc1C ZINC000090170460 165228139 /nfs/dbraw/zinc/22/81/39/165228139.db2.gz CMWZFYOWSAPAPP-UHFFFAOYSA-N 2 2 284.407 3.424 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959953 165277681 /nfs/dbraw/zinc/27/76/81/165277681.db2.gz SEICCHWUWKPWDA-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959953 165277683 /nfs/dbraw/zinc/27/76/83/165277683.db2.gz SEICCHWUWKPWDA-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961055 165278905 /nfs/dbraw/zinc/27/89/05/165278905.db2.gz NROCDDKSKBFLTC-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961055 165278908 /nfs/dbraw/zinc/27/89/08/165278908.db2.gz NROCDDKSKBFLTC-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000092253409 165285726 /nfs/dbraw/zinc/28/57/26/165285726.db2.gz USKSFAVPRGSKAM-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000092253409 165285729 /nfs/dbraw/zinc/28/57/29/165285729.db2.gz USKSFAVPRGSKAM-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000092253409 165285732 /nfs/dbraw/zinc/28/57/32/165285732.db2.gz USKSFAVPRGSKAM-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000092253409 165285735 /nfs/dbraw/zinc/28/57/35/165285735.db2.gz USKSFAVPRGSKAM-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000091333724 287107553 /nfs/dbraw/zinc/10/75/53/287107553.db2.gz SRFPAYWDLIZDSM-OLZOCXBDSA-N 2 2 280.843 3.343 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000091333724 287107554 /nfs/dbraw/zinc/10/75/54/287107554.db2.gz SRFPAYWDLIZDSM-OLZOCXBDSA-N 2 2 280.843 3.343 20 0 CGADLP CC[C@@H](C)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000093055996 165322306 /nfs/dbraw/zinc/32/23/06/165322306.db2.gz OGYWWBLUARINHF-CQSZACIVSA-N 2 2 257.381 3.067 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000116382016 287157362 /nfs/dbraw/zinc/15/73/62/287157362.db2.gz CRKOODWODJIDNT-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000116382016 287157364 /nfs/dbraw/zinc/15/73/64/287157364.db2.gz CRKOODWODJIDNT-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000123007553 287214935 /nfs/dbraw/zinc/21/49/35/287214935.db2.gz IHXHEHDECQIOFG-SOUVJXGZSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000123007553 287214937 /nfs/dbraw/zinc/21/49/37/287214937.db2.gz IHXHEHDECQIOFG-SOUVJXGZSA-N 2 2 258.409 3.271 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427871145 287214503 /nfs/dbraw/zinc/21/45/03/287214503.db2.gz HYLGMTKDSCSZFY-HZSPNIEDSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000020123988 171005638 /nfs/dbraw/zinc/00/56/38/171005638.db2.gz BNFOPCHUPMBALA-LLVKDONJSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)c(C)s1 ZINC000020127082 171011544 /nfs/dbraw/zinc/01/15/44/171011544.db2.gz VBOKGOHVDCKXKX-LBPRGKRZSA-N 2 2 252.427 3.111 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CC(C)C ZINC000020186659 171050845 /nfs/dbraw/zinc/05/08/45/171050845.db2.gz HUEARBAHKKPOOJ-CYBMUJFWSA-N 2 2 259.397 3.369 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020189079 171054170 /nfs/dbraw/zinc/05/41/70/171054170.db2.gz FSWMGICVSBONPH-AWEZNQCLSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000020506109 171228220 /nfs/dbraw/zinc/22/82/20/171228220.db2.gz JZMNWQALWAEVLK-LBPRGKRZSA-N 2 2 295.333 3.225 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)s1 ZINC000020506078 171228442 /nfs/dbraw/zinc/22/84/42/171228442.db2.gz AEEMYDRXXNCICR-GFCCVEGCSA-N 2 2 263.410 3.302 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@@H+]1C ZINC000285144913 196206456 /nfs/dbraw/zinc/20/64/56/196206456.db2.gz TVBDCYZGEGFBAO-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@H+]1C ZINC000285144913 196206458 /nfs/dbraw/zinc/20/64/58/196206458.db2.gz TVBDCYZGEGFBAO-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144913 196206460 /nfs/dbraw/zinc/20/64/60/196206460.db2.gz TVBDCYZGEGFBAO-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144913 196206461 /nfs/dbraw/zinc/20/64/61/196206461.db2.gz TVBDCYZGEGFBAO-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CCOCC4)CC3)n2c1 ZINC000285182170 196215242 /nfs/dbraw/zinc/21/52/42/196215242.db2.gz QFKSKLGVDJSIRB-UHFFFAOYSA-N 2 2 299.418 3.035 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000126488808 287266095 /nfs/dbraw/zinc/26/60/95/287266095.db2.gz NPIRNVBXDXGXLD-QGZVFWFLSA-N 2 2 292.854 3.273 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126532204 287266914 /nfs/dbraw/zinc/26/69/14/287266914.db2.gz SYDUCLREMCKYCM-SUMWQHHRSA-N 2 2 292.854 3.271 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)Cn1cc[nH+]c1 ZINC000285380488 196265545 /nfs/dbraw/zinc/26/55/45/196265545.db2.gz GPOKWMMSLBUBIY-IBUXWKBASA-N 2 2 291.345 3.100 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126795061 287273654 /nfs/dbraw/zinc/27/36/54/287273654.db2.gz CRCNCUXNDRJVJY-LBPRGKRZSA-N 2 2 266.454 3.229 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126795061 287273656 /nfs/dbraw/zinc/27/36/56/287273656.db2.gz CRCNCUXNDRJVJY-LBPRGKRZSA-N 2 2 266.454 3.229 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000037157892 172993022 /nfs/dbraw/zinc/99/30/22/172993022.db2.gz UXNWIHNBVNSFQW-HUUCEWRRSA-N 2 2 257.381 3.239 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285769480 196393223 /nfs/dbraw/zinc/39/32/23/196393223.db2.gz SSZJDGLHWMUEHO-AWEZNQCLSA-N 2 2 294.402 3.399 20 0 CGADLP c1ccc(C([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000043324455 175007055 /nfs/dbraw/zinc/00/70/55/175007055.db2.gz GMJHJUKUTAXLHJ-QGZVFWFLSA-N 2 2 266.388 3.118 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533903 175063082 /nfs/dbraw/zinc/06/30/82/175063082.db2.gz MTRNNTILLFDTKQ-LSDHHAIUSA-N 2 2 257.381 3.055 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000044527740 175192493 /nfs/dbraw/zinc/19/24/93/175192493.db2.gz FHELZZJMADRDPT-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000044527740 175192494 /nfs/dbraw/zinc/19/24/94/175192494.db2.gz FHELZZJMADRDPT-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP Cc1cc(NC2CCC(C[NH+](C)C)CC2)nc(C2CC2)[nH+]1 ZINC000128169353 287305027 /nfs/dbraw/zinc/30/50/27/287305027.db2.gz RDEJCNYYFZWBEQ-UHFFFAOYSA-N 2 2 288.439 3.195 20 0 CGADLP CCC[N@H+]([C@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC000071314917 176121388 /nfs/dbraw/zinc/12/13/88/176121388.db2.gz LIPYFHMTNFSXOT-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@@H+]([C@H]1CC[NH2+]C1)C1CCC(C(C)C)CC1 ZINC000071314917 176121389 /nfs/dbraw/zinc/12/13/89/176121389.db2.gz LIPYFHMTNFSXOT-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP CCCOc1cccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC000071314911 176121467 /nfs/dbraw/zinc/12/14/67/176121467.db2.gz IXLPCBPKTZZYLW-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1cccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC000071314911 176121468 /nfs/dbraw/zinc/12/14/68/176121468.db2.gz IXLPCBPKTZZYLW-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000129261242 287327766 /nfs/dbraw/zinc/32/77/66/287327766.db2.gz YKULMWBRYVWGSM-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000310843706 416532541 /nfs/dbraw/zinc/53/25/41/416532541.db2.gz BPQIHLKOWZUPJQ-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000310843706 416532545 /nfs/dbraw/zinc/53/25/45/416532545.db2.gz BPQIHLKOWZUPJQ-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000122348414 416503523 /nfs/dbraw/zinc/50/35/23/416503523.db2.gz JMUGBYFWLLWUOG-FZMZJTMJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000122348414 416503525 /nfs/dbraw/zinc/50/35/25/416503525.db2.gz JMUGBYFWLLWUOG-FZMZJTMJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130211332 287347436 /nfs/dbraw/zinc/34/74/36/287347436.db2.gz BINOTKPFSCGMBM-DOTOQJQBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000130211332 287347437 /nfs/dbraw/zinc/34/74/37/287347437.db2.gz BINOTKPFSCGMBM-DOTOQJQBSA-N 2 2 260.425 3.438 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818044 543662905 /nfs/dbraw/zinc/66/29/05/543662905.db2.gz RELBQETTZWMWFD-APWZRJJASA-N 2 2 295.430 3.325 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818044 543662908 /nfs/dbraw/zinc/66/29/08/543662908.db2.gz RELBQETTZWMWFD-APWZRJJASA-N 2 2 295.430 3.325 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000130391627 287353948 /nfs/dbraw/zinc/35/39/48/287353948.db2.gz ZXNNDMUSNLPETF-HOTGVXAUSA-N 2 2 263.429 3.468 20 0 CGADLP CC1CC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000681052659 543761248 /nfs/dbraw/zinc/76/12/48/543761248.db2.gz LNRHSTOOIBDOBO-AVVWSFFYSA-N 2 2 269.392 3.092 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681975447 543813073 /nfs/dbraw/zinc/81/30/73/543813073.db2.gz DMBZUCBLZIWYAG-XUVXKRRUSA-N 2 2 298.474 3.472 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681975447 543813075 /nfs/dbraw/zinc/81/30/75/543813075.db2.gz DMBZUCBLZIWYAG-XUVXKRRUSA-N 2 2 298.474 3.472 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143764 543829184 /nfs/dbraw/zinc/82/91/84/543829184.db2.gz VJYNGYURZFQREG-RHSMWYFYSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H](Nc1cccc2cc[nH+]cc21)c1[nH+]ccn1C ZINC000131138622 287371749 /nfs/dbraw/zinc/37/17/49/287371749.db2.gz MLTKFOQYVNWUDP-NSHDSACASA-N 2 2 252.321 3.141 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000682733257 543863679 /nfs/dbraw/zinc/86/36/79/543863679.db2.gz VXHLNDKWCQBEFI-CYBMUJFWSA-N 2 2 285.382 3.467 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000682788411 543869376 /nfs/dbraw/zinc/86/93/76/543869376.db2.gz WWKDIJROOUIXPB-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000682788411 543869377 /nfs/dbraw/zinc/86/93/77/543869377.db2.gz WWKDIJROOUIXPB-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693898 543932246 /nfs/dbraw/zinc/93/22/46/543932246.db2.gz HLRJBZICQBEBSS-GDBMZVCRSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693898 543932250 /nfs/dbraw/zinc/93/22/50/543932250.db2.gz HLRJBZICQBEBSS-GDBMZVCRSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684114204 543968039 /nfs/dbraw/zinc/96/80/39/543968039.db2.gz VBBFUTSCGJORHH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684114204 543968041 /nfs/dbraw/zinc/96/80/41/543968041.db2.gz VBBFUTSCGJORHH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684113749 543968043 /nfs/dbraw/zinc/96/80/43/543968043.db2.gz MSNITDBYOXCZEY-HIFRSBDPSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684113749 543968044 /nfs/dbraw/zinc/96/80/44/543968044.db2.gz MSNITDBYOXCZEY-HIFRSBDPSA-N 2 2 280.481 3.389 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000684372591 543987744 /nfs/dbraw/zinc/98/77/44/543987744.db2.gz QPFUXNULNLKIQK-UONOGXRCSA-N 2 2 287.407 3.043 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2Cc3ccccc32)c[nH+]1 ZINC000684376881 543988601 /nfs/dbraw/zinc/98/86/01/543988601.db2.gz FQKAQGRSZDMJFD-QGZVFWFLSA-N 2 2 266.388 3.252 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(Cl)cn2)c[nH+]1 ZINC000684389602 543991643 /nfs/dbraw/zinc/99/16/43/543991643.db2.gz VESWDEWPPOVXHS-UHFFFAOYSA-N 2 2 275.783 3.161 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000685463051 544076392 /nfs/dbraw/zinc/07/63/92/544076392.db2.gz JMDMZMSUMFACEH-MRXNPFEDSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000685463051 544076394 /nfs/dbraw/zinc/07/63/94/544076394.db2.gz JMDMZMSUMFACEH-MRXNPFEDSA-N 2 2 281.403 3.287 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000652220527 418937700 /nfs/dbraw/zinc/93/77/00/418937700.db2.gz CDXXDPOQKIUFRF-AWEZNQCLSA-N 2 2 252.402 3.217 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000652220527 418937703 /nfs/dbraw/zinc/93/77/03/418937703.db2.gz CDXXDPOQKIUFRF-AWEZNQCLSA-N 2 2 252.402 3.217 20 0 CGADLP CC(C)=CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000659874102 419024692 /nfs/dbraw/zinc/02/46/92/419024692.db2.gz VYZCSCXCBUBGFC-INIZCTEOSA-N 2 2 250.430 3.293 20 0 CGADLP CC(C)=CCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000659874102 419024694 /nfs/dbraw/zinc/02/46/94/419024694.db2.gz VYZCSCXCBUBGFC-INIZCTEOSA-N 2 2 250.430 3.293 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000653476694 419033287 /nfs/dbraw/zinc/03/32/87/419033287.db2.gz QGMBLPYSBHAFRT-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000653476694 419033289 /nfs/dbraw/zinc/03/32/89/419033289.db2.gz QGMBLPYSBHAFRT-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)[C@H]1CCCCO1 ZINC000655857261 419124405 /nfs/dbraw/zinc/12/44/05/419124405.db2.gz UMBMYZYKMUFEHI-HZPDHXFCSA-N 2 2 287.407 3.080 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000665248760 419092101 /nfs/dbraw/zinc/09/21/01/419092101.db2.gz BVWPEUGINYFDGQ-AWEZNQCLSA-N 3 2 298.434 3.103 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660168533 419093029 /nfs/dbraw/zinc/09/30/29/419093029.db2.gz DJWDJLLLZBVPIR-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660168533 419093033 /nfs/dbraw/zinc/09/30/33/419093033.db2.gz DJWDJLLLZBVPIR-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@H](C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660168533 419093034 /nfs/dbraw/zinc/09/30/34/419093034.db2.gz DJWDJLLLZBVPIR-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@H](C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660168533 419093037 /nfs/dbraw/zinc/09/30/37/419093037.db2.gz DJWDJLLLZBVPIR-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251757 419093813 /nfs/dbraw/zinc/09/38/13/419093813.db2.gz YILVQBAPCFRKDR-KVSKMBFKSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000665276490 419100011 /nfs/dbraw/zinc/10/00/11/419100011.db2.gz DSRJKPICVYCLKH-CDWSIMAYSA-N 2 2 284.325 3.108 20 0 CGADLP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)c(F)c1 ZINC000665278655 419101030 /nfs/dbraw/zinc/10/10/30/419101030.db2.gz LHTAOHDMGRFLIG-YWCUFVOSSA-N 2 2 280.362 3.004 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000665296339 419108731 /nfs/dbraw/zinc/10/87/31/419108731.db2.gz RHBFUULCOIJWSF-BXUZGUMPSA-N 2 2 274.433 3.476 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000665296309 419108977 /nfs/dbraw/zinc/10/89/77/419108977.db2.gz QHWSHHMECDASFS-BLLLJJGKSA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000665296222 419109173 /nfs/dbraw/zinc/10/91/73/419109173.db2.gz OZWLAEHABYQFAV-GHMZBOCLSA-N 2 2 288.407 3.302 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000665296698 419110528 /nfs/dbraw/zinc/11/05/28/419110528.db2.gz WTFFKIPSGCLNTG-UONOGXRCSA-N 2 2 269.392 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000655848325 419119153 /nfs/dbraw/zinc/11/91/53/419119153.db2.gz DRPPEACFINKNCU-NUEKZKHPSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000655848325 419119157 /nfs/dbraw/zinc/11/91/57/419119157.db2.gz DRPPEACFINKNCU-NUEKZKHPSA-N 2 2 282.497 3.125 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655859684 419125293 /nfs/dbraw/zinc/12/52/93/419125293.db2.gz NWKMJIZKWLGMFQ-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655859684 419125295 /nfs/dbraw/zinc/12/52/95/419125295.db2.gz NWKMJIZKWLGMFQ-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CC2 ZINC000655688151 419065235 /nfs/dbraw/zinc/06/52/35/419065235.db2.gz NFWFVMOSDQBJSD-ZBFHGGJFSA-N 2 2 269.392 3.166 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000655855829 419123740 /nfs/dbraw/zinc/12/37/40/419123740.db2.gz JDAFEPLAUDXRIK-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000655855829 419123744 /nfs/dbraw/zinc/12/37/44/419123744.db2.gz JDAFEPLAUDXRIK-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C)SC2)[NH+](C)C)cc1 ZINC000655703464 419070787 /nfs/dbraw/zinc/07/07/87/419070787.db2.gz QVLSQGSEQUIVCQ-XIRDDKMYSA-N 2 2 292.492 3.471 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000660415664 419141006 /nfs/dbraw/zinc/14/10/06/419141006.db2.gz HLQTYPKTGWHWBN-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000660415664 419141011 /nfs/dbraw/zinc/14/10/11/419141011.db2.gz HLQTYPKTGWHWBN-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660478217 419150790 /nfs/dbraw/zinc/15/07/90/419150790.db2.gz ARMMTQCCNQNJRK-NXOAAHMSSA-N 2 2 299.462 3.445 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660478217 419150792 /nfs/dbraw/zinc/15/07/92/419150792.db2.gz ARMMTQCCNQNJRK-NXOAAHMSSA-N 2 2 299.462 3.445 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000656278282 419164637 /nfs/dbraw/zinc/16/46/37/419164637.db2.gz QMGKYFSZOUCUQA-RBUKOAKNSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000656278282 419164640 /nfs/dbraw/zinc/16/46/40/419164640.db2.gz QMGKYFSZOUCUQA-RBUKOAKNSA-N 2 2 284.447 3.008 20 0 CGADLP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656498725 419177381 /nfs/dbraw/zinc/17/73/81/419177381.db2.gz FRKPSKKHHRCECZ-VIQWUECVSA-N 2 2 284.447 3.181 20 0 CGADLP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656498725 419177384 /nfs/dbraw/zinc/17/73/84/419177384.db2.gz FRKPSKKHHRCECZ-VIQWUECVSA-N 2 2 284.447 3.181 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664642 419178451 /nfs/dbraw/zinc/17/84/51/419178451.db2.gz RFFGJXRMALFZGI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664642 419178453 /nfs/dbraw/zinc/17/84/53/419178453.db2.gz RFFGJXRMALFZGI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664642 419178457 /nfs/dbraw/zinc/17/84/57/419178457.db2.gz RFFGJXRMALFZGI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664642 419178461 /nfs/dbraw/zinc/17/84/61/419178461.db2.gz RFFGJXRMALFZGI-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H](c1cccnc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675448 419180757 /nfs/dbraw/zinc/18/07/57/419180757.db2.gz FFYGAESXMKNEAW-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC4(CCCC4)O3)c[nH+]c12 ZINC000655863817 419126265 /nfs/dbraw/zinc/12/62/65/419126265.db2.gz QCZNXUJZCLTNDX-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP CC(C)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657326296 419251259 /nfs/dbraw/zinc/25/12/59/419251259.db2.gz CSVKYAKBVZPHET-UHFFFAOYSA-N 2 2 269.392 3.243 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000657333809 419252360 /nfs/dbraw/zinc/25/23/60/419252360.db2.gz AAFIFRAODUQPMK-AWEZNQCLSA-N 2 2 287.407 3.016 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000657334288 419252496 /nfs/dbraw/zinc/25/24/96/419252496.db2.gz UHLXLAOTYVLDSC-XHSDSOJGSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657368290 419261389 /nfs/dbraw/zinc/26/13/89/419261389.db2.gz NPIKIRKYLAGANW-AWEZNQCLSA-N 2 2 269.392 3.031 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CCC2 ZINC000657366713 419261422 /nfs/dbraw/zinc/26/14/22/419261422.db2.gz BLAQXQRDPXSRLP-SJLPKXTDSA-N 2 2 295.430 3.330 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228468 419200280 /nfs/dbraw/zinc/20/02/80/419200280.db2.gz RMCVLMJBMBBJQY-OCVGTWLNSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228468 419200282 /nfs/dbraw/zinc/20/02/82/419200282.db2.gz RMCVLMJBMBBJQY-OCVGTWLNSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228469 419200871 /nfs/dbraw/zinc/20/08/71/419200871.db2.gz RMCVLMJBMBBJQY-UGQVUOCMSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228469 419200875 /nfs/dbraw/zinc/20/08/75/419200875.db2.gz RMCVLMJBMBBJQY-UGQVUOCMSA-N 2 2 294.389 3.283 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000656778436 419215717 /nfs/dbraw/zinc/21/57/17/419215717.db2.gz YPPGBEUPOUOCAZ-UHFFFAOYSA-N 2 2 266.348 3.212 20 0 CGADLP CCn1cc[nH+]c1CNc1[nH+]ccc(C)c1C1CC1 ZINC000656779291 419217100 /nfs/dbraw/zinc/21/71/00/419217100.db2.gz LCHBUXADMNSNEN-UHFFFAOYSA-N 2 2 256.353 3.096 20 0 CGADLP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000656784603 419218699 /nfs/dbraw/zinc/21/86/99/419218699.db2.gz FFWMLUKYIKRFCS-WBVHZDCISA-N 2 2 260.425 3.166 20 0 CGADLP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000656784603 419218700 /nfs/dbraw/zinc/21/87/00/419218700.db2.gz FFWMLUKYIKRFCS-WBVHZDCISA-N 2 2 260.425 3.166 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)CC(C)(C)[NH3+] ZINC000656783378 419218718 /nfs/dbraw/zinc/21/87/18/419218718.db2.gz QMTWIPXAKYHSDG-UHFFFAOYSA-N 2 2 277.799 3.057 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)CC(C)(C)[NH3+] ZINC000656783378 419218720 /nfs/dbraw/zinc/21/87/20/419218720.db2.gz QMTWIPXAKYHSDG-UHFFFAOYSA-N 2 2 277.799 3.057 20 0 CGADLP CCc1cccc2cc(C[NH2+]CCC[NH+]3CCC3)oc21 ZINC000657424173 419275206 /nfs/dbraw/zinc/27/52/06/419275206.db2.gz TZNMFPWZBOMEDX-UHFFFAOYSA-N 2 2 272.392 3.181 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)oc21 ZINC000657440239 419279605 /nfs/dbraw/zinc/27/96/05/419279605.db2.gz OZWISGNRSOQDEQ-HNNXBMFYSA-N 2 2 295.386 3.296 20 0 CGADLP Cc1c[nH]c(CNc2ccc(Cl)c(C[NH+](C)C)c2)[nH+]1 ZINC000657456223 419283047 /nfs/dbraw/zinc/28/30/47/419283047.db2.gz RPDCEVURPVSOTL-UHFFFAOYSA-N 2 2 278.787 3.045 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CC2CCC1CC2 ZINC000657503434 419295806 /nfs/dbraw/zinc/29/58/06/419295806.db2.gz ITARNIHUCNXNEJ-UWLZSVRSSA-N 2 2 273.424 3.134 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000657506133 419296017 /nfs/dbraw/zinc/29/60/17/419296017.db2.gz ZFASJYXKDZUOBG-OAHLLOKOSA-N 2 2 273.355 3.209 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000657524860 419298043 /nfs/dbraw/zinc/29/80/43/419298043.db2.gz SQDWLCIYRIUSSM-IRXDYDNUSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000657524860 419298045 /nfs/dbraw/zinc/29/80/45/419298045.db2.gz SQDWLCIYRIUSSM-IRXDYDNUSA-N 2 2 272.436 3.006 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000657527115 419298289 /nfs/dbraw/zinc/29/82/89/419298289.db2.gz QZSKDWKAVHEHQS-CQSZACIVSA-N 2 2 294.414 3.187 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000657527115 419298291 /nfs/dbraw/zinc/29/82/91/419298291.db2.gz QZSKDWKAVHEHQS-CQSZACIVSA-N 2 2 294.414 3.187 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561860 419304636 /nfs/dbraw/zinc/30/46/36/419304636.db2.gz CXTMZUPKYIXSBQ-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561860 419304638 /nfs/dbraw/zinc/30/46/38/419304638.db2.gz CXTMZUPKYIXSBQ-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000657742653 419336030 /nfs/dbraw/zinc/33/60/30/419336030.db2.gz WZTQYWKQRGQZJD-BBRMVZONSA-N 2 2 264.388 3.003 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000657742653 419336033 /nfs/dbraw/zinc/33/60/33/419336033.db2.gz WZTQYWKQRGQZJD-BBRMVZONSA-N 2 2 264.388 3.003 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC000662308180 419387981 /nfs/dbraw/zinc/38/79/81/419387981.db2.gz OUEIWCUKVHRVMJ-UHFFFAOYSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC000662308180 419387987 /nfs/dbraw/zinc/38/79/87/419387987.db2.gz OUEIWCUKVHRVMJ-UHFFFAOYSA-N 2 2 278.399 3.277 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000657859456 419392735 /nfs/dbraw/zinc/39/27/35/419392735.db2.gz VDZTXIDTLNFVKX-GTPINHCMSA-N 2 2 282.472 3.044 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657820672 419369975 /nfs/dbraw/zinc/36/99/75/419369975.db2.gz JGUWIMQNKOLYMA-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657820672 419369979 /nfs/dbraw/zinc/36/99/79/419369979.db2.gz JGUWIMQNKOLYMA-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000662277813 419381259 /nfs/dbraw/zinc/38/12/59/419381259.db2.gz XNFUAEYLBCIWCO-WFASDCNBSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1cccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000662277813 419381268 /nfs/dbraw/zinc/38/12/68/419381268.db2.gz XNFUAEYLBCIWCO-WFASDCNBSA-N 2 2 296.867 3.116 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185676961 287552624 /nfs/dbraw/zinc/55/26/24/287552624.db2.gz GQKJWJVWONNIJQ-HNAYVOBHSA-N 2 2 298.430 3.476 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995470 419486613 /nfs/dbraw/zinc/48/66/13/419486613.db2.gz HFDNAMIDZZPCQS-NWDGAFQWSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995470 419486620 /nfs/dbraw/zinc/48/66/20/419486620.db2.gz HFDNAMIDZZPCQS-NWDGAFQWSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc2ccncc2s1 ZINC000657900173 419424962 /nfs/dbraw/zinc/42/49/62/419424962.db2.gz NHFXAKOMBJEMBT-STQMWFEESA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc2ccncc2s1 ZINC000657900173 419424971 /nfs/dbraw/zinc/42/49/71/419424971.db2.gz NHFXAKOMBJEMBT-STQMWFEESA-N 2 2 289.448 3.289 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657954445 419461961 /nfs/dbraw/zinc/46/19/61/419461961.db2.gz URVASOKOWQLVPF-SGMGOOAPSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657954445 419461969 /nfs/dbraw/zinc/46/19/69/419461969.db2.gz URVASOKOWQLVPF-SGMGOOAPSA-N 2 2 289.448 3.287 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054722 419522126 /nfs/dbraw/zinc/52/21/26/419522126.db2.gz GFHOETOSPJBKQL-WMLDXEAASA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054722 419522132 /nfs/dbraw/zinc/52/21/32/419522132.db2.gz GFHOETOSPJBKQL-WMLDXEAASA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000658054299 419522476 /nfs/dbraw/zinc/52/24/76/419522476.db2.gz DCBDLZJYZRAPRF-CVEARBPZSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000658054299 419522486 /nfs/dbraw/zinc/52/24/86/419522486.db2.gz DCBDLZJYZRAPRF-CVEARBPZSA-N 2 2 292.854 3.270 20 0 CGADLP CCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663257451 419532836 /nfs/dbraw/zinc/53/28/36/419532836.db2.gz VALXUMSEVABZAA-UHFFFAOYSA-N 2 2 295.390 3.201 20 0 CGADLP CC[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000658119166 419594059 /nfs/dbraw/zinc/59/40/59/419594059.db2.gz CIKLHSKBMHXVKU-BQFCYCMXSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000658119166 419594063 /nfs/dbraw/zinc/59/40/63/419594063.db2.gz CIKLHSKBMHXVKU-BQFCYCMXSA-N 2 2 289.467 3.318 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000663508135 419640428 /nfs/dbraw/zinc/64/04/28/419640428.db2.gz KCOIGWNNPFRXDJ-LLVKDONJSA-N 2 2 278.396 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000663508107 419640886 /nfs/dbraw/zinc/64/08/86/419640886.db2.gz IXVQZASQOHHTTA-NSHDSACASA-N 2 2 278.396 3.252 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284304 419730630 /nfs/dbraw/zinc/73/06/30/419730630.db2.gz FMPMJXLSTJPWLZ-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284304 419730637 /nfs/dbraw/zinc/73/06/37/419730637.db2.gz FMPMJXLSTJPWLZ-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286175 419732484 /nfs/dbraw/zinc/73/24/84/419732484.db2.gz PVTPSRVQTFYCFG-RANZSIQMSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286175 419732489 /nfs/dbraw/zinc/73/24/89/419732489.db2.gz PVTPSRVQTFYCFG-RANZSIQMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293267 419741758 /nfs/dbraw/zinc/74/17/58/419741758.db2.gz LDJIFEBPUDAULP-ANLGBYQQSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293267 419741767 /nfs/dbraw/zinc/74/17/67/419741767.db2.gz LDJIFEBPUDAULP-ANLGBYQQSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccco1 ZINC000037786193 260163742 /nfs/dbraw/zinc/16/37/42/260163742.db2.gz QABFHJHMRQIBEO-LBPRGKRZSA-N 2 2 250.386 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CCCCC1 ZINC000037319584 270029045 /nfs/dbraw/zinc/02/90/45/270029045.db2.gz QIKRLLUGWOFKJW-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000045094522 270038067 /nfs/dbraw/zinc/03/80/67/270038067.db2.gz OFWATHJCYHJHQK-KRWDZBQOSA-N 2 2 287.407 3.413 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCSc3ccccc32)c[nH+]1 ZINC000045094504 270038257 /nfs/dbraw/zinc/03/82/57/270038257.db2.gz VDLHQMFHHLHPPE-OAHLLOKOSA-N 2 2 287.432 3.490 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000189191547 270070852 /nfs/dbraw/zinc/07/08/52/270070852.db2.gz LPWBSGXWMZRLLP-UHFFFAOYSA-N 2 2 289.741 3.417 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[N@H+](C)C1CC1 ZINC000223239530 270086510 /nfs/dbraw/zinc/08/65/10/270086510.db2.gz PGGKRUYQZACJJX-YUELXQCFSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[N@@H+](C)C1CC1 ZINC000223239530 270086511 /nfs/dbraw/zinc/08/65/11/270086511.db2.gz PGGKRUYQZACJJX-YUELXQCFSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915582 270094416 /nfs/dbraw/zinc/09/44/16/270094416.db2.gz SYMJVYQEQDHVFP-OLMNPRSZSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915582 270094417 /nfs/dbraw/zinc/09/44/17/270094417.db2.gz SYMJVYQEQDHVFP-OLMNPRSZSA-N 2 2 272.436 3.428 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000324889422 270094828 /nfs/dbraw/zinc/09/48/28/270094828.db2.gz FZLAQTFMKNTVOM-NOLJZWGESA-N 2 2 250.430 3.170 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000324889422 270094829 /nfs/dbraw/zinc/09/48/29/270094829.db2.gz FZLAQTFMKNTVOM-NOLJZWGESA-N 2 2 250.430 3.170 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751457 270134260 /nfs/dbraw/zinc/13/42/60/270134260.db2.gz HTXLDAQHRJTMBG-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527751457 270134261 /nfs/dbraw/zinc/13/42/61/270134261.db2.gz HTXLDAQHRJTMBG-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805745 270137098 /nfs/dbraw/zinc/13/70/98/270137098.db2.gz HODXWLPOPUMSRE-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805745 270137099 /nfs/dbraw/zinc/13/70/99/270137099.db2.gz HODXWLPOPUMSRE-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000527808986 270137842 /nfs/dbraw/zinc/13/78/42/270137842.db2.gz RTEKQCLTVZSFPF-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000527808986 270137843 /nfs/dbraw/zinc/13/78/43/270137843.db2.gz RTEKQCLTVZSFPF-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000527854611 270139899 /nfs/dbraw/zinc/13/98/99/270139899.db2.gz UCUJNLFPNYLCEQ-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000527854611 270139900 /nfs/dbraw/zinc/13/99/00/270139900.db2.gz UCUJNLFPNYLCEQ-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952465 270146418 /nfs/dbraw/zinc/14/64/18/270146418.db2.gz TWAZCVIWVADOLJ-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952465 270146419 /nfs/dbraw/zinc/14/64/19/270146419.db2.gz TWAZCVIWVADOLJ-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528007080 270150769 /nfs/dbraw/zinc/15/07/69/270150769.db2.gz BGKYEXJIDSQFQS-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528007080 270150770 /nfs/dbraw/zinc/15/07/70/270150770.db2.gz BGKYEXJIDSQFQS-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000528000005 270149632 /nfs/dbraw/zinc/14/96/32/270149632.db2.gz IJPOHFFQEITRAO-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000528000005 270149633 /nfs/dbraw/zinc/14/96/33/270149633.db2.gz IJPOHFFQEITRAO-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528006865 270150676 /nfs/dbraw/zinc/15/06/76/270150676.db2.gz XDEAJKMLUSSPOZ-GLRLOKQVSA-N 2 2 299.418 3.335 20 0 CGADLP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000528490369 270166527 /nfs/dbraw/zinc/16/65/27/270166527.db2.gz JZBKVCKJDTYCST-QQAGXBGCSA-N 2 2 264.800 3.164 20 0 CGADLP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000528490369 270166528 /nfs/dbraw/zinc/16/65/28/270166528.db2.gz JZBKVCKJDTYCST-QQAGXBGCSA-N 2 2 264.800 3.164 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1cc[nH+]c1 ZINC000529534469 270183103 /nfs/dbraw/zinc/18/31/03/270183103.db2.gz CROUWAMPDSSBBB-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1n1cc[nH+]c1 ZINC000529534469 270183104 /nfs/dbraw/zinc/18/31/04/270183104.db2.gz CROUWAMPDSSBBB-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216656 270195655 /nfs/dbraw/zinc/19/56/55/270195655.db2.gz CXNDWWHQMYCOMK-WMLDXEAASA-N 2 2 288.435 3.409 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)c(F)c1 ZINC000530219475 270196035 /nfs/dbraw/zinc/19/60/35/270196035.db2.gz LUQCVRMJKRMFEN-NOZJJQNGSA-N 2 2 284.325 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)c(F)c1 ZINC000530219479 270196185 /nfs/dbraw/zinc/19/61/85/270196185.db2.gz LUQCVRMJKRMFEN-TVQRCGJNSA-N 2 2 284.325 3.039 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000530222962 270196406 /nfs/dbraw/zinc/19/64/06/270196406.db2.gz SGCUAPJZZNRKDA-CVEARBPZSA-N 2 2 273.424 3.043 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530222068 270196599 /nfs/dbraw/zinc/19/65/99/270196599.db2.gz QCXRKJJLGOMURJ-ZBFHGGJFSA-N 2 2 258.409 3.239 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530226291 270196896 /nfs/dbraw/zinc/19/68/96/270196896.db2.gz ZLOKJFAVZUTHJW-HIFRSBDPSA-N 2 2 274.408 3.167 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000531952413 270211173 /nfs/dbraw/zinc/21/11/73/270211173.db2.gz XNSBBLVKAOIGAJ-ZMSDIMECSA-N 2 2 274.452 3.283 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000531952413 270211174 /nfs/dbraw/zinc/21/11/74/270211174.db2.gz XNSBBLVKAOIGAJ-ZMSDIMECSA-N 2 2 274.452 3.283 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531951333 270211238 /nfs/dbraw/zinc/21/12/38/270211238.db2.gz FINYYCFYROZKHG-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531951333 270211239 /nfs/dbraw/zinc/21/12/39/270211239.db2.gz FINYYCFYROZKHG-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531969603 270211938 /nfs/dbraw/zinc/21/19/38/270211938.db2.gz HUAAMZFARFLTMH-GZBFAFLISA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531969603 270211939 /nfs/dbraw/zinc/21/19/39/270211939.db2.gz HUAAMZFARFLTMH-GZBFAFLISA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000532110307 270213809 /nfs/dbraw/zinc/21/38/09/270213809.db2.gz XLBZUAAVQNYWPO-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP Cc1cc(N2CCC[N@H+](C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000532110307 270213810 /nfs/dbraw/zinc/21/38/10/270213810.db2.gz XLBZUAAVQNYWPO-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP C[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)S1 ZINC000532969073 270220372 /nfs/dbraw/zinc/22/03/72/270220372.db2.gz BUUTYCGFVNUXJS-ZIAGYGMSSA-N 2 2 287.432 3.198 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269796402 273529350 /nfs/dbraw/zinc/52/93/50/273529350.db2.gz BVBHPRMYEUXADS-MRXNPFEDSA-N 2 2 294.389 3.415 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(C)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422875850 273751617 /nfs/dbraw/zinc/75/16/17/273751617.db2.gz PPAOZJNLPFSJPN-KBPBESRZSA-N 2 2 298.377 3.217 20 0 CGADLP COC1(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000359747134 274014432 /nfs/dbraw/zinc/01/44/32/274014432.db2.gz NTDVYRDQXLNOID-OAHLLOKOSA-N 2 2 291.439 3.008 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423373852 274216480 /nfs/dbraw/zinc/21/64/80/274216480.db2.gz SJFZDGYORKSDIB-POYBYMJQSA-N 2 2 279.236 3.369 20 0 CGADLP C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)[C@H](C)[NH3+] ZINC000335015645 274244892 /nfs/dbraw/zinc/24/48/92/274244892.db2.gz PFIRSLYBSIQVDB-NWDGAFQWSA-N 2 2 252.361 3.082 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2sccc21 ZINC000423557719 274318513 /nfs/dbraw/zinc/31/85/13/274318513.db2.gz NOZGFCUQNLMLRG-BZPMIXESSA-N 2 2 264.438 3.418 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000356676777 275068103 /nfs/dbraw/zinc/06/81/03/275068103.db2.gz CRXQOLXTIVIJTM-IKGGRYGDSA-N 2 2 270.420 3.149 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000356676777 275068104 /nfs/dbraw/zinc/06/81/04/275068104.db2.gz CRXQOLXTIVIJTM-IKGGRYGDSA-N 2 2 270.420 3.149 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000359607465 275072470 /nfs/dbraw/zinc/07/24/70/275072470.db2.gz ZVTSOFIFDHWQCN-MRXNPFEDSA-N 2 2 295.430 3.325 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414830838 275595888 /nfs/dbraw/zinc/59/58/88/275595888.db2.gz BQDSGAQFBGUUNP-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CS1 ZINC000488542423 275714741 /nfs/dbraw/zinc/71/47/41/275714741.db2.gz ZPSAXAQULZYADD-OWCLPIDISA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000300670010 276130761 /nfs/dbraw/zinc/13/07/61/276130761.db2.gz SHWAAAPUSVHJNJ-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000300670010 276130763 /nfs/dbraw/zinc/13/07/63/276130763.db2.gz SHWAAAPUSVHJNJ-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000479435802 276180754 /nfs/dbraw/zinc/18/07/54/276180754.db2.gz HDMBDYQLHWMZAV-XJNFMUPTSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000479435802 276180757 /nfs/dbraw/zinc/18/07/57/276180757.db2.gz HDMBDYQLHWMZAV-XJNFMUPTSA-N 2 2 262.441 3.051 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000346707498 276212987 /nfs/dbraw/zinc/21/29/87/276212987.db2.gz OWVNSWQKZHATQA-KMFMINBZSA-N 2 2 282.472 3.043 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000346707498 276212990 /nfs/dbraw/zinc/21/29/90/276212990.db2.gz OWVNSWQKZHATQA-KMFMINBZSA-N 2 2 282.472 3.043 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000185671864 276287729 /nfs/dbraw/zinc/28/77/29/276287729.db2.gz SAVGOYVCQSIWFM-QRTARXTBSA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000185671864 276287730 /nfs/dbraw/zinc/28/77/30/276287730.db2.gz SAVGOYVCQSIWFM-QRTARXTBSA-N 2 2 273.424 3.138 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423463522 276580387 /nfs/dbraw/zinc/58/03/87/276580387.db2.gz LHCCMJXRHSZFFA-SMDDNHRTSA-N 2 2 282.815 3.189 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000119904557 276584620 /nfs/dbraw/zinc/58/46/20/276584620.db2.gz QVFJOPHNWLCMTB-KFWWJZLASA-N 2 2 296.480 3.288 20 0 CGADLP C[NH2+]CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423225535 277024965 /nfs/dbraw/zinc/02/49/65/277024965.db2.gz NCYHXVNCWXUFPX-GFCCVEGCSA-N 2 2 270.829 3.076 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000394808174 288004197 /nfs/dbraw/zinc/00/41/97/288004197.db2.gz IMGHKMWZHHAMEX-OAHLLOKOSA-N 2 2 250.430 3.031 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)oc21 ZINC000423269202 278043674 /nfs/dbraw/zinc/04/36/74/278043674.db2.gz VOUMDEBPJWBNGP-TZMCWYRMSA-N 2 2 290.407 3.465 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000395178866 288006673 /nfs/dbraw/zinc/00/66/73/288006673.db2.gz MCBWJKCKHACYND-CQSZACIVSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000395178866 288006675 /nfs/dbraw/zinc/00/66/75/288006675.db2.gz MCBWJKCKHACYND-CQSZACIVSA-N 2 2 260.425 3.285 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000395313097 288008306 /nfs/dbraw/zinc/00/83/06/288008306.db2.gz YXSLFLBZDAODHE-INIZCTEOSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395313097 288008308 /nfs/dbraw/zinc/00/83/08/288008308.db2.gz YXSLFLBZDAODHE-INIZCTEOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000423187039 278271527 /nfs/dbraw/zinc/27/15/27/278271527.db2.gz KTTUQQNGCXMJKG-WDEREUQCSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397800844 288031141 /nfs/dbraw/zinc/03/11/41/288031141.db2.gz RKNLAKOQZGYDOR-BPUTZDHNSA-N 2 2 260.425 3.314 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000397878478 288033420 /nfs/dbraw/zinc/03/34/20/288033420.db2.gz JBULCDPGFHKOFY-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397924386 288035092 /nfs/dbraw/zinc/03/50/92/288035092.db2.gz BBIDDNJRHMJUBB-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397924386 288035094 /nfs/dbraw/zinc/03/50/94/288035094.db2.gz BBIDDNJRHMJUBB-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000427864938 278376602 /nfs/dbraw/zinc/37/66/02/278376602.db2.gz GLSOSMPYOTUJTC-VWSOIFEKSA-N 2 2 299.462 3.392 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000427896035 278376639 /nfs/dbraw/zinc/37/66/39/278376639.db2.gz OOSKFOQSSRVQAZ-GDBMZVCRSA-N 2 2 283.419 3.154 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000447574241 278376882 /nfs/dbraw/zinc/37/68/82/278376882.db2.gz UZFWLVWDJFSQJG-JTNHKYCSSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000447574241 278376883 /nfs/dbraw/zinc/37/68/83/278376883.db2.gz UZFWLVWDJFSQJG-JTNHKYCSSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000149370060 278378617 /nfs/dbraw/zinc/37/86/17/278378617.db2.gz PXHPAQDFQARQMI-WMLDXEAASA-N 2 2 258.409 3.310 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668159 278388564 /nfs/dbraw/zinc/38/85/64/278388564.db2.gz BQMLBYRHPTZYQC-IOASZLSFSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668159 278388566 /nfs/dbraw/zinc/38/85/66/278388566.db2.gz BQMLBYRHPTZYQC-IOASZLSFSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCF ZINC000398159318 288040004 /nfs/dbraw/zinc/04/00/04/288040004.db2.gz FNMCHDDKPFYDMK-INIZCTEOSA-N 2 2 266.404 3.092 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCF ZINC000398159318 288040008 /nfs/dbraw/zinc/04/00/08/288040008.db2.gz FNMCHDDKPFYDMK-INIZCTEOSA-N 2 2 266.404 3.092 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000420365024 278571587 /nfs/dbraw/zinc/57/15/87/278571587.db2.gz KRJNVZXXPJTGGD-GYSYKLTISA-N 2 2 286.341 3.182 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc(Cl)c1F ZINC000423441032 288060307 /nfs/dbraw/zinc/06/03/07/288060307.db2.gz IYXFFFHGWUXECW-AUTRQRHGSA-N 2 2 258.768 3.256 20 0 CGADLP CO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC000451512687 288073964 /nfs/dbraw/zinc/07/39/64/288073964.db2.gz XQWSVGPUSNYMQQ-IRXDYDNUSA-N 2 2 299.418 3.084 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccc2ccccc2c1 ZINC000459546374 288096262 /nfs/dbraw/zinc/09/62/62/288096262.db2.gz IFVYLYBOSDUHGT-UHFFFAOYSA-N 2 2 270.420 3.312 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000490226868 288117501 /nfs/dbraw/zinc/11/75/01/288117501.db2.gz HMSYSXSBPFKDLC-ZOCIIQOWSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000490226868 288117502 /nfs/dbraw/zinc/11/75/02/288117502.db2.gz HMSYSXSBPFKDLC-ZOCIIQOWSA-N 2 2 284.447 3.445 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278886411 288124492 /nfs/dbraw/zinc/12/44/92/288124492.db2.gz YGXJCSLWITXVQK-XWIAVFTESA-N 2 2 285.435 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278886411 288124493 /nfs/dbraw/zinc/12/44/93/288124493.db2.gz YGXJCSLWITXVQK-XWIAVFTESA-N 2 2 285.435 3.006 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000360044029 279388705 /nfs/dbraw/zinc/38/87/05/279388705.db2.gz BBIQNJDCYKHDCZ-GDBMZVCRSA-N 2 2 297.402 3.308 20 0 CGADLP C[C@H](F)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359703 279389703 /nfs/dbraw/zinc/38/97/03/279389703.db2.gz BQNILXVRZSXQQU-UONOGXRCSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@H](F)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359703 279389705 /nfs/dbraw/zinc/38/97/05/279389705.db2.gz BQNILXVRZSXQQU-UONOGXRCSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000517714174 288133180 /nfs/dbraw/zinc/13/31/80/288133180.db2.gz YQMNOGFDRMHRBA-SUMWQHHRSA-N 2 2 286.444 3.156 20 0 CGADLP CC(C)CCC[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000526119620 288150130 /nfs/dbraw/zinc/15/01/30/288150130.db2.gz WJPKIKSXDRRVTC-UHFFFAOYSA-N 2 2 274.452 3.111 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C2CC2)C2CC2)c[nH+]1 ZINC000527230842 288158444 /nfs/dbraw/zinc/15/84/44/288158444.db2.gz XIGHOGLUYIEJPN-UHFFFAOYSA-N 2 2 258.409 3.348 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@@H+]1C ZINC000527665836 288186005 /nfs/dbraw/zinc/18/60/05/288186005.db2.gz MDGUYEYKRVROGF-NXEZZACHSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@H+]1C ZINC000527665836 288186008 /nfs/dbraw/zinc/18/60/08/288186008.db2.gz MDGUYEYKRVROGF-NXEZZACHSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000359709797 280025260 /nfs/dbraw/zinc/02/52/60/280025260.db2.gz BIIXVWXXRZECAZ-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP Cc1cccn2c(C[NH2+]CC[C@@H]3CC=CCC3)c[nH+]c12 ZINC000527791880 288195609 /nfs/dbraw/zinc/19/56/09/288195609.db2.gz WCIVTADEHDMXDU-OAHLLOKOSA-N 2 2 269.392 3.479 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000348260959 280123471 /nfs/dbraw/zinc/12/34/71/280123471.db2.gz FQHJIHJLJMKACJ-GXTWGEPZSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000348260959 280123472 /nfs/dbraw/zinc/12/34/72/280123472.db2.gz FQHJIHJLJMKACJ-GXTWGEPZSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000348260959 280123473 /nfs/dbraw/zinc/12/34/73/280123473.db2.gz FQHJIHJLJMKACJ-GXTWGEPZSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000348260959 280123474 /nfs/dbraw/zinc/12/34/74/280123474.db2.gz FQHJIHJLJMKACJ-GXTWGEPZSA-N 2 2 294.389 3.368 20 0 CGADLP C/C(Cl)=C/C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000528460015 288201761 /nfs/dbraw/zinc/20/17/61/288201761.db2.gz QHEWCJWXWUSMCQ-TZQNSNDFSA-N 2 2 279.815 3.151 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CC(F)(F)C1 ZINC000529532926 288259060 /nfs/dbraw/zinc/25/90/60/288259060.db2.gz QJHHJKQJWJXVFI-XJKSGUPXSA-N 2 2 296.405 3.183 20 0 CGADLP c1cn(CCCCn2cc[nH+]c2C2CC2)c(C2CC2)[nH+]1 ZINC000530129554 288288097 /nfs/dbraw/zinc/28/80/97/288288097.db2.gz MCJRFOSBMWRSKC-UHFFFAOYSA-N 2 2 270.380 3.315 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359945557 281271250 /nfs/dbraw/zinc/27/12/50/281271250.db2.gz XKMVJEYBMYNGIS-RCCFBDPRSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359945557 281271255 /nfs/dbraw/zinc/27/12/55/281271255.db2.gz XKMVJEYBMYNGIS-RCCFBDPRSA-N 2 2 270.420 3.199 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](COC)C1CCCC1 ZINC000423496475 281459827 /nfs/dbraw/zinc/45/98/27/281459827.db2.gz DYYXNPSJAMOAOZ-QZTJIDSGSA-N 2 2 290.451 3.044 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000532492431 288365137 /nfs/dbraw/zinc/36/51/37/288365137.db2.gz SBPMPXYOKZAGSJ-GOEBONIOSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)CCC2 ZINC000532538306 288366205 /nfs/dbraw/zinc/36/62/05/288366205.db2.gz KGSNPTHGOQCUKE-CABCVRRESA-N 2 2 261.413 3.093 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC(C)(C)C1)Cn1cc[nH+]c1 ZINC000532785607 288368846 /nfs/dbraw/zinc/36/88/46/288368846.db2.gz WTRKXEZOYPBGLZ-HUUCEWRRSA-N 2 2 263.429 3.325 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000097928531 282046035 /nfs/dbraw/zinc/04/60/35/282046035.db2.gz WTEDJPCQBIFWKU-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000538759468 288588223 /nfs/dbraw/zinc/58/82/23/288588223.db2.gz BIBAWQOKVWNLPF-WFASDCNBSA-N 2 2 281.359 3.341 20 0 CGADLP CCCc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000547499963 288964848 /nfs/dbraw/zinc/96/48/48/288964848.db2.gz ZNZBJZURKQJEGC-UHFFFAOYSA-N 2 2 271.408 3.406 20 0 CGADLP CCC1CC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000551516008 289118723 /nfs/dbraw/zinc/11/87/23/289118723.db2.gz KNYIUNIFNMUTPG-DXCHVLGVSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587754 289124679 /nfs/dbraw/zinc/12/46/79/289124679.db2.gz JPAVVQRBSIEUSF-DGCLKSJQSA-N 2 2 286.872 3.264 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587754 289124680 /nfs/dbraw/zinc/12/46/80/289124680.db2.gz JPAVVQRBSIEUSF-DGCLKSJQSA-N 2 2 286.872 3.264 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209835 289263196 /nfs/dbraw/zinc/26/31/96/289263196.db2.gz RGOCBQYYPKVTLU-BLLLJJGKSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209835 289263197 /nfs/dbraw/zinc/26/31/97/289263197.db2.gz RGOCBQYYPKVTLU-BLLLJJGKSA-N 2 2 290.838 3.401 20 0 CGADLP COC[C@@H](C)C[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000555246724 289335610 /nfs/dbraw/zinc/33/56/10/289335610.db2.gz HCLFACCJYQKRMZ-LBPRGKRZSA-N 2 2 273.380 3.184 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000556873580 289416246 /nfs/dbraw/zinc/41/62/46/289416246.db2.gz WWTYHIVWVJQOPX-LSDHHAIUSA-N 2 2 261.413 3.298 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000556935003 289423865 /nfs/dbraw/zinc/42/38/65/289423865.db2.gz KAYRXLYJVCTNTQ-UHFFFAOYSA-N 2 2 295.839 3.290 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000558698960 289514169 /nfs/dbraw/zinc/51/41/69/289514169.db2.gz OEGHFIBFVOFJKX-GJZGRUSLSA-N 2 2 267.392 3.171 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000561267629 289631317 /nfs/dbraw/zinc/63/13/17/289631317.db2.gz OOKSYFREMDXZEE-NWDGAFQWSA-N 2 2 295.390 3.041 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000157513756 302004795 /nfs/dbraw/zinc/00/47/95/302004795.db2.gz RTFFLHRJOFDBRD-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000157513756 302004797 /nfs/dbraw/zinc/00/47/97/302004797.db2.gz RTFFLHRJOFDBRD-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163689865 321897285 /nfs/dbraw/zinc/89/72/85/321897285.db2.gz RDMIUSPLMMCZJB-JKSUJKDBSA-N 2 2 290.451 3.043 20 0 CGADLP CC(C)OCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000566089543 322103959 /nfs/dbraw/zinc/10/39/59/322103959.db2.gz MIMQXGWINBUOQM-YJBOKZPZSA-N 2 2 290.451 3.232 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804591 322138885 /nfs/dbraw/zinc/13/88/85/322138885.db2.gz SRXKTWSXVFQEOX-WDEREUQCSA-N 2 2 278.783 3.398 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804591 322138886 /nfs/dbraw/zinc/13/88/86/322138886.db2.gz SRXKTWSXVFQEOX-WDEREUQCSA-N 2 2 278.783 3.398 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799886 322223307 /nfs/dbraw/zinc/22/33/07/322223307.db2.gz GJMONIKKPCCDPE-PBHICJAKSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799886 322223310 /nfs/dbraw/zinc/22/33/10/322223310.db2.gz GJMONIKKPCCDPE-PBHICJAKSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799886 322223312 /nfs/dbraw/zinc/22/33/12/322223312.db2.gz GJMONIKKPCCDPE-PBHICJAKSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799886 322223315 /nfs/dbraw/zinc/22/33/15/322223315.db2.gz GJMONIKKPCCDPE-PBHICJAKSA-N 2 2 299.418 3.114 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166489 322322884 /nfs/dbraw/zinc/32/28/84/322322884.db2.gz DFZQQOOUUCALIQ-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166489 322322888 /nfs/dbraw/zinc/32/28/88/322322888.db2.gz DFZQQOOUUCALIQ-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccsc2Cl)C1 ZINC000572166489 322322891 /nfs/dbraw/zinc/32/28/91/322322891.db2.gz DFZQQOOUUCALIQ-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccsc2Cl)C1 ZINC000572166489 322322894 /nfs/dbraw/zinc/32/28/94/322322894.db2.gz DFZQQOOUUCALIQ-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1C ZINC000573221464 322377144 /nfs/dbraw/zinc/37/71/44/322377144.db2.gz DDLMTRKGZQNCKG-AWEZNQCLSA-N 2 2 298.434 3.180 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2F)CCCCCC1 ZINC000574421616 322439370 /nfs/dbraw/zinc/43/93/70/322439370.db2.gz SDJCZEPBEABTIF-UHFFFAOYSA-N 2 2 268.351 3.106 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000584199356 327063108 /nfs/dbraw/zinc/06/31/08/327063108.db2.gz CTMYUOBVWBIOLA-JSGCOSHPSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000584199356 327063109 /nfs/dbraw/zinc/06/31/09/327063109.db2.gz CTMYUOBVWBIOLA-JSGCOSHPSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000584199356 327063110 /nfs/dbraw/zinc/06/31/10/327063110.db2.gz CTMYUOBVWBIOLA-JSGCOSHPSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000584199356 327063111 /nfs/dbraw/zinc/06/31/11/327063111.db2.gz CTMYUOBVWBIOLA-JSGCOSHPSA-N 2 2 281.469 3.039 20 0 CGADLP c1cn(-c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)c[nH+]1 ZINC000582467319 329088623 /nfs/dbraw/zinc/08/86/23/329088623.db2.gz YAQOOUOKJBBSAD-UHFFFAOYSA-N 2 2 294.358 3.028 20 0 CGADLP Cc1cnc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000397467059 329354744 /nfs/dbraw/zinc/35/47/44/329354744.db2.gz LZRABNOYSZGJIM-LBPRGKRZSA-N 2 2 261.394 3.048 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000035648200 329500561 /nfs/dbraw/zinc/50/05/61/329500561.db2.gz LTSYYFGGNJGWKS-DOTOQJQBSA-N 2 2 292.467 3.192 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000576148570 335160844 /nfs/dbraw/zinc/16/08/44/335160844.db2.gz LSMLRMXKZRFKFW-UHFFFAOYSA-N 2 2 272.436 3.133 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000576148570 335160845 /nfs/dbraw/zinc/16/08/45/335160845.db2.gz LSMLRMXKZRFKFW-UHFFFAOYSA-N 2 2 272.436 3.133 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000576160493 335162461 /nfs/dbraw/zinc/16/24/61/335162461.db2.gz KAVDOAMCZQVNSW-LSDHHAIUSA-N 2 2 250.361 3.193 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000576273512 335180621 /nfs/dbraw/zinc/18/06/21/335180621.db2.gz AKHPPZRHIXDYBZ-LSDHHAIUSA-N 2 2 292.471 3.133 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000576273512 335180622 /nfs/dbraw/zinc/18/06/22/335180622.db2.gz AKHPPZRHIXDYBZ-LSDHHAIUSA-N 2 2 292.471 3.133 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000576314064 335188261 /nfs/dbraw/zinc/18/82/61/335188261.db2.gz CITZNDZRGSFHGB-BGTYHANMSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000576314064 335188263 /nfs/dbraw/zinc/18/82/63/335188263.db2.gz CITZNDZRGSFHGB-BGTYHANMSA-N 2 2 290.426 3.377 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000576575735 335220531 /nfs/dbraw/zinc/22/05/31/335220531.db2.gz ZYBBQQBKWNFMBB-KBRIMQKVSA-N 2 2 298.434 3.302 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCc1ccccc1O ZINC000576672331 335233257 /nfs/dbraw/zinc/23/32/57/335233257.db2.gz RYXBACJTGUMUOZ-UHFFFAOYSA-N 2 2 284.403 3.203 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCc1ccccc1O ZINC000576672331 335233259 /nfs/dbraw/zinc/23/32/59/335233259.db2.gz RYXBACJTGUMUOZ-UHFFFAOYSA-N 2 2 284.403 3.203 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](C1CC1)C1CCCC1)CCCC2 ZINC000580621729 335304749 /nfs/dbraw/zinc/30/47/49/335304749.db2.gz LUUWJQSDWSMDFO-QGZVFWFLSA-N 2 2 273.424 3.278 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2OCC(C)C)n1C ZINC000579025390 335702320 /nfs/dbraw/zinc/70/23/20/335702320.db2.gz BGKRBNHNPVHZNQ-UHFFFAOYSA-N 2 2 287.407 3.053 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000381762428 336072561 /nfs/dbraw/zinc/07/25/61/336072561.db2.gz LLTOIBPZBJXUBY-JLSDUUJJSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000381762428 336072562 /nfs/dbraw/zinc/07/25/62/336072562.db2.gz LLTOIBPZBJXUBY-JLSDUUJJSA-N 2 2 272.436 3.428 20 0 CGADLP CSCC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000385394973 336145302 /nfs/dbraw/zinc/14/53/02/336145302.db2.gz AKZIILORMIFSBU-UHFFFAOYSA-N 2 2 284.513 3.230 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000178442400 533850236 /nfs/dbraw/zinc/85/02/36/533850236.db2.gz XWRDQWUZGRTARQ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000178442400 533850242 /nfs/dbraw/zinc/85/02/42/533850242.db2.gz XWRDQWUZGRTARQ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000178442400 533850246 /nfs/dbraw/zinc/85/02/46/533850246.db2.gz XWRDQWUZGRTARQ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000178442400 533850250 /nfs/dbraw/zinc/85/02/50/533850250.db2.gz XWRDQWUZGRTARQ-HNNXBMFYSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423559828 533884172 /nfs/dbraw/zinc/88/41/72/533884172.db2.gz PHTSTHDNODHERL-DGCLKSJQSA-N 2 2 282.815 3.141 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249063 533993481 /nfs/dbraw/zinc/99/34/81/533993481.db2.gz JEDDEERUNLPMPE-RVKKMQEKSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249063 533993490 /nfs/dbraw/zinc/99/34/90/533993490.db2.gz JEDDEERUNLPMPE-RVKKMQEKSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000449135683 534055678 /nfs/dbraw/zinc/05/56/78/534055678.db2.gz QVZUTFNTIKVELP-SYJJWHGVSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000449135683 534055685 /nfs/dbraw/zinc/05/56/85/534055685.db2.gz QVZUTFNTIKVELP-SYJJWHGVSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242488 534064824 /nfs/dbraw/zinc/06/48/24/534064824.db2.gz MAUPMVUMRLYNDW-PJSAGSTRSA-N 2 2 284.378 3.349 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232702 534087998 /nfs/dbraw/zinc/08/79/98/534087998.db2.gz COVPLPULLIIEBP-XWIAVFTESA-N 2 2 266.388 3.210 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368686632 534092162 /nfs/dbraw/zinc/09/21/62/534092162.db2.gz GRTYYSQYLFVPRA-AWEZNQCLSA-N 2 2 295.386 3.420 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)oc2cc1C ZINC000368686632 534092172 /nfs/dbraw/zinc/09/21/72/534092172.db2.gz GRTYYSQYLFVPRA-AWEZNQCLSA-N 2 2 295.386 3.420 20 0 CGADLP Cc1ccc(SCC[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1C ZINC000359892967 534214827 /nfs/dbraw/zinc/21/48/27/534214827.db2.gz BXLWKZVBXQSLQN-MRXNPFEDSA-N 2 2 278.465 3.065 20 0 CGADLP Cc1ccc(SCC[N@H+](C)[C@H](C[NH3+])C2CC2)cc1C ZINC000359892967 534214831 /nfs/dbraw/zinc/21/48/31/534214831.db2.gz BXLWKZVBXQSLQN-MRXNPFEDSA-N 2 2 278.465 3.065 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000423236041 534226297 /nfs/dbraw/zinc/22/62/97/534226297.db2.gz HEFHHUZWCRVKSO-JSGCOSHPSA-N 2 2 260.406 3.407 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449088918 534266677 /nfs/dbraw/zinc/26/66/77/534266677.db2.gz JCJCYCQYLOLFCD-GUYCJALGSA-N 2 2 286.419 3.294 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424189764 534383167 /nfs/dbraw/zinc/38/31/67/534383167.db2.gz DWGIPPMPCJMWKC-UONOGXRCSA-N 2 2 290.373 3.181 20 0 CGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[NH+]2CCCCCC2)n1 ZINC000339356083 519379677 /nfs/dbraw/zinc/37/96/77/519379677.db2.gz AJFQYQXHUVURFQ-STQMWFEESA-N 2 2 280.416 3.053 20 0 CGADLP CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000037635684 519906643 /nfs/dbraw/zinc/90/66/43/519906643.db2.gz PFTMSLQWWMIVFA-UHFFFAOYSA-N 2 2 266.816 3.304 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000163725371 522563027 /nfs/dbraw/zinc/56/30/27/522563027.db2.gz ZZAVBMHOGPMJAA-KRWDZBQOSA-N 2 2 296.418 3.186 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCC2)cc1 ZINC000086252261 525763184 /nfs/dbraw/zinc/76/31/84/525763184.db2.gz AJOJHBQPODUJKY-GOSISDBHSA-N 2 2 283.419 3.250 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152733556 526370040 /nfs/dbraw/zinc/37/00/40/526370040.db2.gz UIPWXPZLKKZEDL-QGZVFWFLSA-N 2 2 299.393 3.178 20 0 CGADLP CC(C)(C)OCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000354829935 526550229 /nfs/dbraw/zinc/55/02/29/526550229.db2.gz DITPAYNLJUJUOH-UHFFFAOYSA-N 2 2 279.428 3.184 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365087762 527408426 /nfs/dbraw/zinc/40/84/26/527408426.db2.gz YEETVBJGUZDZSK-FUHWJXTLSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365087762 527408432 /nfs/dbraw/zinc/40/84/32/527408432.db2.gz YEETVBJGUZDZSK-FUHWJXTLSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)(C)C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1(C)C ZINC000412031535 527699876 /nfs/dbraw/zinc/69/98/76/527699876.db2.gz FXQKOJDIBRRHIJ-AWEZNQCLSA-N 2 2 263.429 3.420 20 0 CGADLP CC(C)(C)C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1(C)C ZINC000412031535 527699879 /nfs/dbraw/zinc/69/98/79/527699879.db2.gz FXQKOJDIBRRHIJ-AWEZNQCLSA-N 2 2 263.429 3.420 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368092425 528133547 /nfs/dbraw/zinc/13/35/47/528133547.db2.gz KAQPPAMDHIUWRT-RHSMWYFYSA-N 2 2 296.418 3.349 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449381149 528155119 /nfs/dbraw/zinc/15/51/19/528155119.db2.gz XZBCGNSLXRENMJ-BPQIPLTHSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449381149 528155123 /nfs/dbraw/zinc/15/51/23/528155123.db2.gz XZBCGNSLXRENMJ-BPQIPLTHSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000355096537 528204816 /nfs/dbraw/zinc/20/48/16/528204816.db2.gz BPXYGDTYPRSLEJ-LBPRGKRZSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423555109 528208444 /nfs/dbraw/zinc/20/84/44/528208444.db2.gz LSTZVJZJYVJLDG-HOCLYGCPSA-N 2 2 276.424 3.267 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423231912 528333303 /nfs/dbraw/zinc/33/33/03/528333303.db2.gz HKQYLBGNILFLOF-SFHVURJKSA-N 2 2 286.394 3.309 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000423318745 528514542 /nfs/dbraw/zinc/51/45/42/528514542.db2.gz ZIEJUDCGEJBSPV-MRXNPFEDSA-N 2 2 276.424 3.106 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[NH+](C)C ZINC000364648987 528531144 /nfs/dbraw/zinc/53/11/44/528531144.db2.gz FALMJLXFAQXWQF-BSDSXHPESA-N 2 2 296.499 3.148 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1(C)C ZINC000437090686 528642216 /nfs/dbraw/zinc/64/22/16/528642216.db2.gz BLGSSSFHMUYVBC-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000428245608 528717513 /nfs/dbraw/zinc/71/75/13/528717513.db2.gz ZXRBKUQCWDKWGA-UKRRQHHQSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000428245608 528717516 /nfs/dbraw/zinc/71/75/16/528717516.db2.gz ZXRBKUQCWDKWGA-UKRRQHHQSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000428245608 528717521 /nfs/dbraw/zinc/71/75/21/528717521.db2.gz ZXRBKUQCWDKWGA-UKRRQHHQSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000428245608 528717526 /nfs/dbraw/zinc/71/75/26/528717526.db2.gz ZXRBKUQCWDKWGA-UKRRQHHQSA-N 2 2 293.455 3.240 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423297171 528822098 /nfs/dbraw/zinc/82/20/98/528822098.db2.gz JASDXEAQBIGILX-SMDDNHRTSA-N 2 2 282.428 3.470 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423295551 528823656 /nfs/dbraw/zinc/82/36/56/528823656.db2.gz FDBOHIKOSPELDD-NEPJUHHUSA-N 2 2 268.376 3.002 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000359592153 529106278 /nfs/dbraw/zinc/10/62/78/529106278.db2.gz QTDOTPRLUJACTN-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000359592153 529106285 /nfs/dbraw/zinc/10/62/85/529106285.db2.gz QTDOTPRLUJACTN-OCCSQVGLSA-N 2 2 278.465 3.372 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449058929 529106639 /nfs/dbraw/zinc/10/66/39/529106639.db2.gz MXJLCTOHSMFDIT-PQUAAJSLSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449058929 529106645 /nfs/dbraw/zinc/10/66/45/529106645.db2.gz MXJLCTOHSMFDIT-PQUAAJSLSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(Cl)ccc1OC ZINC000423283665 529172863 /nfs/dbraw/zinc/17/28/63/529172863.db2.gz XEGYTQYQRBBDEG-ZIAGYGMSSA-N 2 2 284.831 3.373 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423238658 529174296 /nfs/dbraw/zinc/17/42/96/529174296.db2.gz ALESEHPOZNUKDX-HUUCEWRRSA-N 2 2 260.406 3.489 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423239777 529179473 /nfs/dbraw/zinc/17/94/73/529179473.db2.gz SLTVTQKASDVALO-NXEZZACHSA-N 2 2 258.818 3.194 20 0 CGADLP COC1(C[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC000480340372 536684581 /nfs/dbraw/zinc/68/45/81/536684581.db2.gz WXMWEHNJAKZFOV-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000480340372 536684590 /nfs/dbraw/zinc/68/45/90/536684590.db2.gz WXMWEHNJAKZFOV-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP COc1cccc([C@H]2C[C@H]([N@H+](C)CCCn3cc[nH+]c3)C2)c1 ZINC000452019927 536905009 /nfs/dbraw/zinc/90/50/09/536905009.db2.gz QWJFOVDHLROOFD-QAQDUYKDSA-N 2 2 299.418 3.160 20 0 CGADLP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCn3cc[nH+]c3)C2)c1 ZINC000452019927 536905013 /nfs/dbraw/zinc/90/50/13/536905013.db2.gz QWJFOVDHLROOFD-QAQDUYKDSA-N 2 2 299.418 3.160 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000729681627 571928946 /nfs/dbraw/zinc/92/89/46/571928946.db2.gz FWAPNFADBSXSJN-QGZVFWFLSA-N 2 2 295.430 3.248 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000729681627 571928948 /nfs/dbraw/zinc/92/89/48/571928948.db2.gz FWAPNFADBSXSJN-QGZVFWFLSA-N 2 2 295.430 3.248 20 0 CGADLP Cc1ccc2c(C)cc(NCc3c[nH+]cn3C)[nH+]c2c1 ZINC000291048644 572335433 /nfs/dbraw/zinc/33/54/33/572335433.db2.gz DIQXPOGQORIXHH-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000731451182 572413198 /nfs/dbraw/zinc/41/31/98/572413198.db2.gz BNQWCJBYTJRRMR-UHFFFAOYSA-N 2 2 298.415 3.181 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000742389012 572575106 /nfs/dbraw/zinc/57/51/06/572575106.db2.gz WHLCCUVUGOUNOZ-MRXNPFEDSA-N 2 2 281.359 3.087 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000925973862 617694128 /nfs/dbraw/zinc/69/41/28/617694128.db2.gz URAZAICEPXXNLA-ZJPYXAASSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000925973862 617694131 /nfs/dbraw/zinc/69/41/31/617694131.db2.gz URAZAICEPXXNLA-ZJPYXAASSA-N 2 2 294.483 3.187 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926026519 617877533 /nfs/dbraw/zinc/87/75/33/617877533.db2.gz JXSIMTWLVZDYLU-SJORKVTESA-N 2 2 273.424 3.181 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926026519 617877536 /nfs/dbraw/zinc/87/75/36/617877536.db2.gz JXSIMTWLVZDYLU-SJORKVTESA-N 2 2 273.424 3.181 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000806136093 617957729 /nfs/dbraw/zinc/95/77/29/617957729.db2.gz ZTPKHXFOUSNUEA-ZBFHGGJFSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)o1 ZINC000093660099 618403770 /nfs/dbraw/zinc/40/37/70/618403770.db2.gz AHMJLXYLEBVXBI-INIZCTEOSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)o1 ZINC000093660099 618403772 /nfs/dbraw/zinc/40/37/72/618403772.db2.gz AHMJLXYLEBVXBI-INIZCTEOSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000093660099 618403773 /nfs/dbraw/zinc/40/37/73/618403773.db2.gz AHMJLXYLEBVXBI-INIZCTEOSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000093660099 618403775 /nfs/dbraw/zinc/40/37/75/618403775.db2.gz AHMJLXYLEBVXBI-INIZCTEOSA-N 2 2 264.413 3.203 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146801 618557743 /nfs/dbraw/zinc/55/77/43/618557743.db2.gz YRJQHWKDEDNFBG-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146801 618557751 /nfs/dbraw/zinc/55/77/51/618557751.db2.gz YRJQHWKDEDNFBG-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146801 618557763 /nfs/dbraw/zinc/55/77/63/618557763.db2.gz YRJQHWKDEDNFBG-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146801 618557770 /nfs/dbraw/zinc/55/77/70/618557770.db2.gz YRJQHWKDEDNFBG-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926361319 618559166 /nfs/dbraw/zinc/55/91/66/618559166.db2.gz MEYZSUSPGPMODO-RRFJBIMHSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926361319 618559173 /nfs/dbraw/zinc/55/91/73/618559173.db2.gz MEYZSUSPGPMODO-RRFJBIMHSA-N 2 2 286.410 3.418 20 0 CGADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000113604357 618719637 /nfs/dbraw/zinc/71/96/37/618719637.db2.gz PNSIAGSIGINXFD-JTQLQIEISA-N 2 2 260.303 3.047 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000113604357 618719640 /nfs/dbraw/zinc/71/96/40/618719640.db2.gz PNSIAGSIGINXFD-JTQLQIEISA-N 2 2 260.303 3.047 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924572405 618854764 /nfs/dbraw/zinc/85/47/64/618854764.db2.gz KMGFGSBKTVKYKP-QWHCGFSZSA-N 2 2 279.428 3.207 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000924572405 618854768 /nfs/dbraw/zinc/85/47/68/618854768.db2.gz KMGFGSBKTVKYKP-QWHCGFSZSA-N 2 2 279.428 3.207 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000854230841 619063508 /nfs/dbraw/zinc/06/35/08/619063508.db2.gz AARIEVDAVKQVIK-ZJUUUORDSA-N 2 2 274.380 3.260 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925676114 619125203 /nfs/dbraw/zinc/12/52/03/619125203.db2.gz PNPMVRJTKKOZSI-CVEARBPZSA-N 2 2 274.383 3.077 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1 ZINC000925787900 619248511 /nfs/dbraw/zinc/24/85/11/619248511.db2.gz WUJWLQTUSBTSTJ-PBFPGSCMSA-N 2 2 254.377 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@H](C)[NH3+] ZINC000261551012 619288450 /nfs/dbraw/zinc/28/84/50/619288450.db2.gz LTFIETGIDPLJNX-YGOYTEALSA-N 2 2 270.829 3.202 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042612 619357158 /nfs/dbraw/zinc/35/71/58/619357158.db2.gz BXWAEIGLBNDDLY-CHWSQXEVSA-N 2 2 282.453 3.306 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042612 619357159 /nfs/dbraw/zinc/35/71/59/619357159.db2.gz BXWAEIGLBNDDLY-CHWSQXEVSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042612 619357161 /nfs/dbraw/zinc/35/71/61/619357161.db2.gz BXWAEIGLBNDDLY-CHWSQXEVSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042612 619357163 /nfs/dbraw/zinc/35/71/63/619357163.db2.gz BXWAEIGLBNDDLY-CHWSQXEVSA-N 2 2 282.453 3.306 20 0 CGADLP Cc1ccc(CC[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000894477168 619549217 /nfs/dbraw/zinc/54/92/17/619549217.db2.gz YWHYAGVXSJTURW-UHFFFAOYSA-N 2 2 271.408 3.065 20 0 CGADLP Cc1ccc(CC[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000894477168 619549218 /nfs/dbraw/zinc/54/92/18/619549218.db2.gz YWHYAGVXSJTURW-UHFFFAOYSA-N 2 2 271.408 3.065 20 0 CGADLP C[N@@H+](C/C=C\c1cccc(F)c1)CCCn1cc[nH+]c1 ZINC000894776233 619624948 /nfs/dbraw/zinc/62/49/48/619624948.db2.gz DOLUQBRLUHIJJQ-UTCJRWHESA-N 2 2 273.355 3.058 20 0 CGADLP C[N@H+](C/C=C\c1cccc(F)c1)CCCn1cc[nH+]c1 ZINC000894776233 619624950 /nfs/dbraw/zinc/62/49/50/619624950.db2.gz DOLUQBRLUHIJJQ-UTCJRWHESA-N 2 2 273.355 3.058 20 0 CGADLP CS[C@@H]1CC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112656 619736825 /nfs/dbraw/zinc/73/68/25/619736825.db2.gz CRKSUVMTWMGTGA-KBUPBQIOSA-N 2 2 291.464 3.052 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706466 619873429 /nfs/dbraw/zinc/87/34/29/619873429.db2.gz LBTZQHXOIIRAFF-OWCLPIDISA-N 2 2 287.432 3.108 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]c1 ZINC000896196115 619964717 /nfs/dbraw/zinc/96/47/17/619964717.db2.gz XDANDVTXHYDUFS-OAHLLOKOSA-N 2 2 271.408 3.314 20 0 CGADLP CCC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927021605 620563233 /nfs/dbraw/zinc/56/32/33/620563233.db2.gz NYTVGHSOZOEEHK-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444839 621322229 /nfs/dbraw/zinc/32/22/29/621322229.db2.gz OUCRJYPUZNFXLV-FSPWUOQZSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc2ccccc21 ZINC000902472716 621324385 /nfs/dbraw/zinc/32/43/85/621324385.db2.gz GBZSXAYOSRKPJO-BAGBSZHRSA-N 2 2 266.388 3.383 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C ZINC000902472480 621324725 /nfs/dbraw/zinc/32/47/25/621324725.db2.gz APJRVADCMKHVMN-TXCZRRACSA-N 2 2 258.409 3.155 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000902483275 621352950 /nfs/dbraw/zinc/35/29/50/621352950.db2.gz QLQOJOBHLJTGPO-WBVHZDCISA-N 2 2 298.434 3.055 20 0 CGADLP CCc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902803129 621442388 /nfs/dbraw/zinc/44/23/88/621442388.db2.gz FYAOEMYKIHTAJA-ZDUSSCGKSA-N 2 2 295.390 3.009 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902795771 621451318 /nfs/dbraw/zinc/45/13/18/621451318.db2.gz GRUPTZPQEZAZCB-GJZGRUSLSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902836369 621467872 /nfs/dbraw/zinc/46/78/72/621467872.db2.gz GTKMHQWNKKLBLS-XJKSGUPXSA-N 2 2 287.432 3.419 20 0 CGADLP C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902975963 621508958 /nfs/dbraw/zinc/50/89/58/621508958.db2.gz LSVMRIJHNOPPAG-WMLDXEAASA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902975962 621509534 /nfs/dbraw/zinc/50/95/34/621509534.db2.gz LSVMRIJHNOPPAG-RHSMWYFYSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903088447 621565712 /nfs/dbraw/zinc/56/57/12/621565712.db2.gz QVGUZBCDAIWOIZ-LSDHHAIUSA-N 2 2 267.376 3.489 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000903244467 621636579 /nfs/dbraw/zinc/63/65/79/621636579.db2.gz VXFCXKOZRGEBCA-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000903244467 621636581 /nfs/dbraw/zinc/63/65/81/621636581.db2.gz VXFCXKOZRGEBCA-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453888 621761878 /nfs/dbraw/zinc/76/18/78/621761878.db2.gz OLNBOARVRPNKJO-AEFFLSMTSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453888 621761884 /nfs/dbraw/zinc/76/18/84/621761884.db2.gz OLNBOARVRPNKJO-AEFFLSMTSA-N 2 2 283.419 3.274 20 0 CGADLP Fc1cc2cccnc2c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484052 621766074 /nfs/dbraw/zinc/76/60/74/621766074.db2.gz OONIJQUHPOBJRZ-INIZCTEOSA-N 2 2 299.393 3.138 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903751026 621799459 /nfs/dbraw/zinc/79/94/59/621799459.db2.gz BPHCHZPAPJUOKX-DLBZAZTESA-N 2 2 276.399 3.263 20 0 CGADLP FCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903751026 621799461 /nfs/dbraw/zinc/79/94/61/621799461.db2.gz BPHCHZPAPJUOKX-DLBZAZTESA-N 2 2 276.399 3.263 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000903821731 621816046 /nfs/dbraw/zinc/81/60/46/621816046.db2.gz QWTUOFNVGCKPDY-HZPDHXFCSA-N 2 2 288.341 3.339 20 0 CGADLP c1ccc2cc(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC000903867120 621819821 /nfs/dbraw/zinc/81/98/21/621819821.db2.gz YUYRSSGAIXOWEZ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC000903867120 621819825 /nfs/dbraw/zinc/81/98/25/621819825.db2.gz YUYRSSGAIXOWEZ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856611 621821709 /nfs/dbraw/zinc/82/17/09/621821709.db2.gz AJMOAGZNESSCKA-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856611 621821710 /nfs/dbraw/zinc/82/17/10/621821710.db2.gz AJMOAGZNESSCKA-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887299 621822002 /nfs/dbraw/zinc/82/20/02/621822002.db2.gz YKNJARRTHBOECZ-ZWNOBZJWSA-N 2 2 274.330 3.191 20 0 CGADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887299 621822004 /nfs/dbraw/zinc/82/20/04/621822004.db2.gz YKNJARRTHBOECZ-ZWNOBZJWSA-N 2 2 274.330 3.191 20 0 CGADLP CC(C)CCC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903897771 621829127 /nfs/dbraw/zinc/82/91/27/621829127.db2.gz GCGBLIYCHVUUBD-CYBMUJFWSA-N 2 2 262.388 3.117 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000903906873 621831356 /nfs/dbraw/zinc/83/13/56/621831356.db2.gz ZPMARSLYWYXZNL-UONOGXRCSA-N 2 2 268.351 3.196 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000903906873 621831358 /nfs/dbraw/zinc/83/13/58/621831358.db2.gz ZPMARSLYWYXZNL-UONOGXRCSA-N 2 2 268.351 3.196 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cnc1Cl ZINC000903960174 621837776 /nfs/dbraw/zinc/83/77/76/621837776.db2.gz YEJHHWSCCXZXJZ-MRXNPFEDSA-N 2 2 293.842 3.009 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cnc1Cl ZINC000903960174 621837781 /nfs/dbraw/zinc/83/77/81/621837781.db2.gz YEJHHWSCCXZXJZ-MRXNPFEDSA-N 2 2 293.842 3.009 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cccc(O)c1 ZINC000904368499 621914190 /nfs/dbraw/zinc/91/41/90/621914190.db2.gz KCCUTGYHWFFNNL-TZMCWYRMSA-N 2 2 264.413 3.196 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C(C)(C)C ZINC000904468714 621924578 /nfs/dbraw/zinc/92/45/78/621924578.db2.gz FPWAFBKUPAVIFH-FZMZJTMJSA-N 2 2 285.382 3.049 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000229195923 623106567 /nfs/dbraw/zinc/10/65/67/623106567.db2.gz JOKTYXDLGRWPRJ-VKJFTORMSA-N 2 2 290.451 3.228 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1OCC2 ZINC000921577560 625685667 /nfs/dbraw/zinc/68/56/67/625685667.db2.gz LKTVQKCXGZENES-INIZCTEOSA-N 2 2 299.418 3.023 20 0 CGADLP FC(F)(F)C1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000068635408 624743732 /nfs/dbraw/zinc/74/37/32/624743732.db2.gz YDQFWAWBKYZAPD-UHFFFAOYSA-N 2 2 289.345 3.374 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251492676 624870778 /nfs/dbraw/zinc/87/07/78/624870778.db2.gz IYQBQOGECHHNQA-KLHDSHLOSA-N 2 2 261.413 3.220 20 0 CGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1c(F)cccc1Cl ZINC000923378791 626149311 /nfs/dbraw/zinc/14/93/11/626149311.db2.gz MJLMNZVDIJRUEE-JTQLQIEISA-N 2 2 270.779 3.272 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000838845857 626266803 /nfs/dbraw/zinc/26/68/03/626266803.db2.gz LKEAVVCBTDBREP-INIZCTEOSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000838845857 626266804 /nfs/dbraw/zinc/26/68/04/626266804.db2.gz LKEAVVCBTDBREP-INIZCTEOSA-N 2 2 291.345 3.078 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000754121148 626558713 /nfs/dbraw/zinc/55/87/13/626558713.db2.gz JYBNFHMNGXRURV-KKUMJFAQSA-N 2 2 295.496 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000764966315 627234593 /nfs/dbraw/zinc/23/45/93/627234593.db2.gz OGIDRLKKCKUCEA-UBHSHLNASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000764966315 627234595 /nfs/dbraw/zinc/23/45/95/627234595.db2.gz OGIDRLKKCKUCEA-UBHSHLNASA-N 2 2 279.815 3.012 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872726 627276834 /nfs/dbraw/zinc/27/68/34/627276834.db2.gz KUQMGGWQRZQBGW-IRXDYDNUSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872726 627276836 /nfs/dbraw/zinc/27/68/36/627276836.db2.gz KUQMGGWQRZQBGW-IRXDYDNUSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)cc1 ZINC000766267082 627308025 /nfs/dbraw/zinc/30/80/25/627308025.db2.gz DPXOUTDLBBPNJK-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)cc1 ZINC000766267082 627308031 /nfs/dbraw/zinc/30/80/31/627308031.db2.gz DPXOUTDLBBPNJK-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2sccc21 ZINC000766271959 627310087 /nfs/dbraw/zinc/31/00/87/627310087.db2.gz WNJDPHCYPGJOHA-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2sccc21 ZINC000766271959 627310089 /nfs/dbraw/zinc/31/00/89/627310089.db2.gz WNJDPHCYPGJOHA-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cncc4ccccc43)CC2)[nH]1 ZINC000769189743 627530277 /nfs/dbraw/zinc/53/02/77/627530277.db2.gz QJEOMEJFMRDAHI-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)[C@@H](C)C1 ZINC000771969468 627751130 /nfs/dbraw/zinc/75/11/30/627751130.db2.gz LTNXGCYTHAZLTK-GXFFZTMASA-N 2 2 272.845 3.221 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)[C@@H](C)C1 ZINC000771969468 627751133 /nfs/dbraw/zinc/75/11/33/627751133.db2.gz LTNXGCYTHAZLTK-GXFFZTMASA-N 2 2 272.845 3.221 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000775510167 628102840 /nfs/dbraw/zinc/10/28/40/628102840.db2.gz ZCGDJMCIEDVJRK-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000775510167 628102843 /nfs/dbraw/zinc/10/28/43/628102843.db2.gz ZCGDJMCIEDVJRK-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CC3)cc2)CC1 ZINC000776806274 628233531 /nfs/dbraw/zinc/23/35/31/628233531.db2.gz RMIKYEQUABGLOM-CQSZACIVSA-N 2 2 273.424 3.039 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302182 628479979 /nfs/dbraw/zinc/47/99/79/628479979.db2.gz FCENGBMPKQSQJE-JKSUJKDBSA-N 2 2 281.403 3.319 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302182 628479984 /nfs/dbraw/zinc/47/99/84/628479984.db2.gz FCENGBMPKQSQJE-JKSUJKDBSA-N 2 2 281.403 3.319 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000785483910 628866116 /nfs/dbraw/zinc/86/61/16/628866116.db2.gz AHOXFHWEIXRBEC-RHSMWYFYSA-N 2 2 287.451 3.285 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(SC(F)F)cc2)C[NH2+]1 ZINC000863484834 629588519 /nfs/dbraw/zinc/58/85/19/629588519.db2.gz NPVFDPBQNPFTPK-PWSUYJOCSA-N 2 2 286.391 3.231 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000863654569 629633869 /nfs/dbraw/zinc/63/38/69/629633869.db2.gz ZHWJUZRHEIDNMM-CQSZACIVSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000863654569 629633876 /nfs/dbraw/zinc/63/38/76/629633876.db2.gz ZHWJUZRHEIDNMM-CQSZACIVSA-N 2 2 264.413 3.035 20 0 CGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000800473956 630282712 /nfs/dbraw/zinc/28/27/12/630282712.db2.gz FAIMQYFXGPDMAZ-SJLPKXTDSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1Cc2ccccc2C1 ZINC000811475052 631070220 /nfs/dbraw/zinc/07/02/20/631070220.db2.gz HSFRPCVNVUJZFS-GOSISDBHSA-N 2 2 297.446 3.302 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3C[C@H](C)[C@H]3C)cc2)CC1 ZINC000813863457 631473010 /nfs/dbraw/zinc/47/30/10/631473010.db2.gz LGFLNAJBKNHLHA-HDMKZQKVSA-N 2 2 287.451 3.285 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccccc2s1 ZINC000817895070 632230862 /nfs/dbraw/zinc/23/08/62/632230862.db2.gz UMMVWBXFYYASBA-FKJOKYEKSA-N 2 2 287.432 3.230 20 0 CGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC000817923919 632235083 /nfs/dbraw/zinc/23/50/83/632235083.db2.gz CVHSEQCBQHUAMX-ARFHVFGLSA-N 2 2 290.455 3.091 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000817940128 632240360 /nfs/dbraw/zinc/24/03/60/632240360.db2.gz FLTCIGHYPNNABN-DGCLKSJQSA-N 2 2 282.815 3.060 20 0 CGADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000866237286 633039424 /nfs/dbraw/zinc/03/94/24/633039424.db2.gz HVJMTSFSIMIAFW-INIZCTEOSA-N 2 2 272.396 3.045 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361192 633100877 /nfs/dbraw/zinc/10/08/77/633100877.db2.gz KXZSLILVBMCKON-VZSAFFHGSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000866397938 633122380 /nfs/dbraw/zinc/12/23/80/633122380.db2.gz KZRYTPCRXBOPLB-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000866397938 633122382 /nfs/dbraw/zinc/12/23/82/633122382.db2.gz KZRYTPCRXBOPLB-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823818633 633155200 /nfs/dbraw/zinc/15/52/00/633155200.db2.gz LVTOMXMYPGDCHE-GFCCVEGCSA-N 2 2 299.821 3.084 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823818633 633155204 /nfs/dbraw/zinc/15/52/04/633155204.db2.gz LVTOMXMYPGDCHE-GFCCVEGCSA-N 2 2 299.821 3.084 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1Cl ZINC000866667029 633229639 /nfs/dbraw/zinc/22/96/39/633229639.db2.gz YUXHSGRLQZDUQX-UKRRQHHQSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1Cl ZINC000866667029 633229645 /nfs/dbraw/zinc/22/96/45/633229645.db2.gz YUXHSGRLQZDUQX-UKRRQHHQSA-N 2 2 293.842 3.007 20 0 CGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000866706763 633234445 /nfs/dbraw/zinc/23/44/45/633234445.db2.gz KESLFTDJCRLJAO-MRXNPFEDSA-N 2 2 293.480 3.217 20 0 CGADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000866706763 633234448 /nfs/dbraw/zinc/23/44/48/633234448.db2.gz KESLFTDJCRLJAO-MRXNPFEDSA-N 2 2 293.480 3.217 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000872040057 633960631 /nfs/dbraw/zinc/96/06/31/633960631.db2.gz WSGXAJAXSLPYLN-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000872040057 633960635 /nfs/dbraw/zinc/96/06/35/633960635.db2.gz WSGXAJAXSLPYLN-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000872041792 633964045 /nfs/dbraw/zinc/96/40/45/633964045.db2.gz WALFHULCOYZMQY-RYUDHWBXSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000872041792 633964048 /nfs/dbraw/zinc/96/40/48/633964048.db2.gz WALFHULCOYZMQY-RYUDHWBXSA-N 2 2 266.351 3.039 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CCO1 ZINC000872043019 633966106 /nfs/dbraw/zinc/96/61/06/633966106.db2.gz VEMRRRDOQAKNIP-GJZGRUSLSA-N 2 2 291.439 3.067 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872068772 633991156 /nfs/dbraw/zinc/99/11/56/633991156.db2.gz ZJICZAXSCZSTNY-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872068772 633991161 /nfs/dbraw/zinc/99/11/61/633991161.db2.gz ZJICZAXSCZSTNY-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1scnc1Cl)CC1CCCC1 ZINC000872143221 634064499 /nfs/dbraw/zinc/06/44/99/634064499.db2.gz NRPBJGATSKGQDM-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP [NH3+]CCC[N@H+](Cc1scnc1Cl)CC1CCCC1 ZINC000872143221 634064501 /nfs/dbraw/zinc/06/45/01/634064501.db2.gz NRPBJGATSKGQDM-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP C[C@@H]1CCN(c2cc[nH+]cc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000872481039 634154193 /nfs/dbraw/zinc/15/41/93/634154193.db2.gz ALUKZLPGYCBEPG-CXAGYDPISA-N 2 2 282.391 3.243 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000834522818 634175816 /nfs/dbraw/zinc/17/58/16/634175816.db2.gz LCAZTKFUKHCJLB-IRXDYDNUSA-N 2 2 289.467 3.257 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H](C3CC3)C3CCC3)cc2)CC1 ZINC000834741748 634233310 /nfs/dbraw/zinc/23/33/10/634233310.db2.gz RTECHQFEYVLYOZ-LJQANCHMSA-N 2 2 299.462 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)COC2 ZINC000873235854 634295643 /nfs/dbraw/zinc/29/56/43/634295643.db2.gz SQHHHTJRNJITFR-SUMWQHHRSA-N 2 2 288.435 3.146 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000876766003 634895639 /nfs/dbraw/zinc/89/56/39/634895639.db2.gz YYMJMSYQWWZCDX-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000876766003 634895642 /nfs/dbraw/zinc/89/56/42/634895642.db2.gz YYMJMSYQWWZCDX-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000876766003 634895644 /nfs/dbraw/zinc/89/56/44/634895644.db2.gz YYMJMSYQWWZCDX-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000876766003 634895647 /nfs/dbraw/zinc/89/56/47/634895647.db2.gz YYMJMSYQWWZCDX-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2o1 ZINC000876956049 634936081 /nfs/dbraw/zinc/93/60/81/634936081.db2.gz FWVGKANMMIGALM-HNNXBMFYSA-N 2 2 298.390 3.229 20 0 CGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000876956476 634937565 /nfs/dbraw/zinc/93/75/65/634937565.db2.gz LGTYHXUBSJWHDE-JKSUJKDBSA-N 2 2 293.455 3.093 20 0 CGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC(C)(C)C ZINC000840957713 635093526 /nfs/dbraw/zinc/09/35/26/635093526.db2.gz CWIUZAUCVGVMRD-UHFFFAOYSA-N 2 2 280.412 3.094 20 0 CGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC1(C)CCC1 ZINC000840958888 635093958 /nfs/dbraw/zinc/09/39/58/635093958.db2.gz MUOOULSLQBYUCO-UHFFFAOYSA-N 2 2 292.423 3.238 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172735 635392960 /nfs/dbraw/zinc/39/29/60/635392960.db2.gz LQLFCQGOHAMJKZ-CYBMUJFWSA-N 2 2 283.366 3.415 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Cl)c1 ZINC000843053651 635551326 /nfs/dbraw/zinc/55/13/26/635551326.db2.gz PRSHRUPEJDZCGM-GOOCMWNKSA-N 2 2 282.790 3.323 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000843053651 635551333 /nfs/dbraw/zinc/55/13/33/635551333.db2.gz PRSHRUPEJDZCGM-GOOCMWNKSA-N 2 2 282.790 3.323 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130143 635919558 /nfs/dbraw/zinc/91/95/58/635919558.db2.gz COFCOFUCKKUJTP-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130143 635919561 /nfs/dbraw/zinc/91/95/61/635919561.db2.gz COFCOFUCKKUJTP-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000880130143 635919563 /nfs/dbraw/zinc/91/95/63/635919563.db2.gz COFCOFUCKKUJTP-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000880130143 635919564 /nfs/dbraw/zinc/91/95/64/635919564.db2.gz COFCOFUCKKUJTP-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP c1cn(C[C@H]([NH2+]CC2CC=CC2)c2ccccc2)c[nH+]1 ZINC000880569420 636022877 /nfs/dbraw/zinc/02/28/77/636022877.db2.gz KJEDJGOHHTUKQE-KRWDZBQOSA-N 2 2 267.376 3.180 20 0 CGADLP CC(C)(C)OCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571476 636024025 /nfs/dbraw/zinc/02/40/25/636024025.db2.gz QGRCIVRYDJZLRB-INIZCTEOSA-N 2 2 287.407 3.029 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845927623 636120136 /nfs/dbraw/zinc/12/01/36/636120136.db2.gz KNCKNDGNEKNWPF-CABCVRRESA-N 2 2 295.471 3.339 20 0 CGADLP CCc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000846100430 636142446 /nfs/dbraw/zinc/14/24/46/636142446.db2.gz LQPMHDOFYALXAY-UHFFFAOYSA-N 2 2 289.448 3.057 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000846103949 636142911 /nfs/dbraw/zinc/14/29/11/636142911.db2.gz AHOMKLRTRPHSNS-UTUOFQBUSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000846103949 636142913 /nfs/dbraw/zinc/14/29/13/636142913.db2.gz AHOMKLRTRPHSNS-UTUOFQBUSA-N 2 2 291.266 3.175 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCCC4(CC4)C3)CC2)[nH+]c1 ZINC000883172721 636566584 /nfs/dbraw/zinc/56/65/84/636566584.db2.gz QMTFXCZUQGHCKT-INIZCTEOSA-N 2 2 285.435 3.363 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927775 636700503 /nfs/dbraw/zinc/70/05/03/636700503.db2.gz NKUBUAXSWDJRRC-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848927775 636700513 /nfs/dbraw/zinc/70/05/13/636700513.db2.gz NKUBUAXSWDJRRC-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000883387783 636728884 /nfs/dbraw/zinc/72/88/84/636728884.db2.gz FCVGRGHGISEORF-IDCNUPLLSA-N 2 2 299.418 3.170 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2ccccc2)c[nH+]1 ZINC000883388418 636730176 /nfs/dbraw/zinc/73/01/76/636730176.db2.gz UYZXBXIOXAVMKS-MHORFTMASA-N 2 2 281.403 3.403 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388565 636730295 /nfs/dbraw/zinc/73/02/95/636730295.db2.gz XOBGXWQMDAULCC-PVAVHDDUSA-N 2 2 269.392 3.403 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388563 636730958 /nfs/dbraw/zinc/73/09/58/636730958.db2.gz XOBGXWQMDAULCC-HYVNUMGLSA-N 2 2 269.392 3.403 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439515 636757420 /nfs/dbraw/zinc/75/74/20/636757420.db2.gz TZSRZNZWSNVLCB-FGTMMUONSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439515 636757428 /nfs/dbraw/zinc/75/74/28/636757428.db2.gz TZSRZNZWSNVLCB-FGTMMUONSA-N 2 2 288.435 3.110 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556151 637121847 /nfs/dbraw/zinc/12/18/47/637121847.db2.gz RFURIIGCQGOWNN-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556151 637121853 /nfs/dbraw/zinc/12/18/53/637121853.db2.gz RFURIIGCQGOWNN-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000886093910 637405691 /nfs/dbraw/zinc/40/56/91/637405691.db2.gz JZFPVGWHXZNGMP-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000886093910 637405693 /nfs/dbraw/zinc/40/56/93/637405693.db2.gz JZFPVGWHXZNGMP-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886542847 637568065 /nfs/dbraw/zinc/56/80/65/637568065.db2.gz GVSFNVQWGJRMSI-RHSMWYFYSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886542847 637568073 /nfs/dbraw/zinc/56/80/73/637568073.db2.gz GVSFNVQWGJRMSI-RHSMWYFYSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)oc1C ZINC000886667970 637642519 /nfs/dbraw/zinc/64/25/19/637642519.db2.gz LENBAOGARVVXOO-UHFFFAOYSA-N 2 2 288.395 3.011 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000886711176 637667903 /nfs/dbraw/zinc/66/79/03/637667903.db2.gz OJHJMFULDUPSLW-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749105 637706217 /nfs/dbraw/zinc/70/62/17/637706217.db2.gz JFBKNRUFMKVMEF-HIFRSBDPSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749105 637706221 /nfs/dbraw/zinc/70/62/21/637706221.db2.gz JFBKNRUFMKVMEF-HIFRSBDPSA-N 2 2 293.842 3.007 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[NH+]1CCCCCC1 ZINC000221884750 637763474 /nfs/dbraw/zinc/76/34/74/637763474.db2.gz GUHYAUAZWDGERL-HNNXBMFYSA-N 2 2 278.415 3.222 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1coc2ccccc12 ZINC000924532123 638352952 /nfs/dbraw/zinc/35/29/52/638352952.db2.gz BFSGNBHIDBXAIB-CYBMUJFWSA-N 2 2 269.348 3.370 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CCCO)[NH+]1CCCCC1 ZINC000924543439 638358029 /nfs/dbraw/zinc/35/80/29/638358029.db2.gz YLVUYDNPYKQFLR-DLBZAZTESA-N 2 2 296.499 3.172 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924616614 638376780 /nfs/dbraw/zinc/37/67/80/638376780.db2.gz DLIRMJRGVJQAKX-OAHLLOKOSA-N 2 2 295.858 3.432 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924616614 638376789 /nfs/dbraw/zinc/37/67/89/638376789.db2.gz DLIRMJRGVJQAKX-OAHLLOKOSA-N 2 2 295.858 3.432 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(Cl)CC1 ZINC000924624609 638377774 /nfs/dbraw/zinc/37/77/74/638377774.db2.gz MMUIARWWPGBSEM-ZDUSSCGKSA-N 2 2 289.810 3.181 20 0 CGADLP c1c(CC[NH2+]C2CC3(C2)CCCC3)[nH+]c2n1CCCC2 ZINC000924647210 638382623 /nfs/dbraw/zinc/38/26/23/638382623.db2.gz YTSNQKFSJPESFD-UHFFFAOYSA-N 2 2 273.424 3.074 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000924841634 638413044 /nfs/dbraw/zinc/41/30/44/638413044.db2.gz CKRMUKRSTIWODQ-LBPRGKRZSA-N 2 2 292.398 3.199 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[NH+]1CCC(C)CC1 ZINC000924851654 638414249 /nfs/dbraw/zinc/41/42/49/638414249.db2.gz BHIGTWMQECIBBB-FGTMMUONSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CSCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925626525 638547689 /nfs/dbraw/zinc/54/76/89/638547689.db2.gz RNGQEIUOXIIQSY-HIFRSBDPSA-N 2 2 266.454 3.054 20 0 CGADLP Cc1cscc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926305398 638761160 /nfs/dbraw/zinc/76/11/60/638761160.db2.gz ZVPCQAVPYBMSCW-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cscc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926305398 638761163 /nfs/dbraw/zinc/76/11/63/638761163.db2.gz ZVPCQAVPYBMSCW-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451198 638772720 /nfs/dbraw/zinc/77/27/20/638772720.db2.gz XMHWQRYIRWFYIS-UPJWGTAASA-N 2 2 261.413 3.071 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926801566 638813772 /nfs/dbraw/zinc/81/37/72/638813772.db2.gz NMSPLSSGGPYUAW-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926801566 638813773 /nfs/dbraw/zinc/81/37/73/638813773.db2.gz NMSPLSSGGPYUAW-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117493 638844438 /nfs/dbraw/zinc/84/44/38/638844438.db2.gz BTHIJMNETVTFCX-FPAYPSAMSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117493 638844440 /nfs/dbraw/zinc/84/44/40/638844440.db2.gz BTHIJMNETVTFCX-FPAYPSAMSA-N 2 2 299.462 3.072 20 0 CGADLP C[NH+](C)C1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929263113 638913276 /nfs/dbraw/zinc/91/32/76/638913276.db2.gz NMRMQIXXYUTYNG-KRWDZBQOSA-N 2 2 294.483 3.284 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c(C)[nH+]1 ZINC000930739582 639061057 /nfs/dbraw/zinc/06/10/57/639061057.db2.gz UHYQOTNYHBMTDO-KGLIPLIRSA-N 2 2 279.428 3.098 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC3CC2(c2ccccc2)C3)c(C)[nH+]1 ZINC000931078246 639108256 /nfs/dbraw/zinc/10/82/56/639108256.db2.gz BIXIBTLKNBBXRW-UHFFFAOYSA-N 2 2 267.376 3.148 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC3CC2(c2ccccc2)C3)c(C)[nH+]1 ZINC000931078246 639108257 /nfs/dbraw/zinc/10/82/57/639108257.db2.gz BIXIBTLKNBBXRW-UHFFFAOYSA-N 2 2 267.376 3.148 20 0 CGADLP CSc1cccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931355010 639139486 /nfs/dbraw/zinc/13/94/86/639139486.db2.gz NWABQLZWKXOGCF-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000932274797 639309319 /nfs/dbraw/zinc/30/93/19/639309319.db2.gz KFEFJWGACCOTKZ-YJBOKZPZSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000932274797 639309323 /nfs/dbraw/zinc/30/93/23/639309323.db2.gz KFEFJWGACCOTKZ-YJBOKZPZSA-N 2 2 283.419 3.231 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159500800 640049025 /nfs/dbraw/zinc/04/90/25/640049025.db2.gz FOIZRNBCDXHTBG-WBVHZDCISA-N 2 2 272.436 3.061 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000159500800 640049031 /nfs/dbraw/zinc/04/90/31/640049031.db2.gz FOIZRNBCDXHTBG-WBVHZDCISA-N 2 2 272.436 3.061 20 0 CGADLP C[C@@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)C[NH+]1CCCC1 ZINC000094965950 640806100 /nfs/dbraw/zinc/80/61/00/640806100.db2.gz DESOOZOMSDEQLY-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)nc(C(C)(C)C)[nH+]1 ZINC001156385364 805681086 /nfs/dbraw/zinc/68/10/86/805681086.db2.gz DTFHMKVEIMUAJX-AWEZNQCLSA-N 2 2 290.455 3.226 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc(C(C)(C)C)[nH+]1 ZINC001156385364 805681090 /nfs/dbraw/zinc/68/10/90/805681090.db2.gz DTFHMKVEIMUAJX-AWEZNQCLSA-N 2 2 290.455 3.226 20 0 CGADLP C[NH+](C)Cc1ccc2[nH]c(-c3c[nH]c4cc[nH+]cc34)nc2c1 ZINC001250908117 805795798 /nfs/dbraw/zinc/79/57/98/805795798.db2.gz IWZKXMVBEPAZOY-UHFFFAOYSA-N 2 2 291.358 3.168 20 0 CGADLP C[NH+](C)Cc1ccc2nc(-c3c[nH]c4cc[nH+]cc34)[nH]c2c1 ZINC001250908117 805795804 /nfs/dbraw/zinc/79/58/04/805795804.db2.gz IWZKXMVBEPAZOY-UHFFFAOYSA-N 2 2 291.358 3.168 20 0 CGADLP Cc1nc(-n2ccc3c2CC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001157449528 805813404 /nfs/dbraw/zinc/81/34/04/805813404.db2.gz RDZJSARWHMTRHW-UHFFFAOYSA-N 2 2 296.418 3.269 20 0 CGADLP Cc1cc2ccccc2c(NC2C[NH+](C(C)C)C2)[nH+]1 ZINC001157532120 805828629 /nfs/dbraw/zinc/82/86/29/805828629.db2.gz SRSRIYWMQDEYTG-UHFFFAOYSA-N 2 2 255.365 3.048 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158265497 805932279 /nfs/dbraw/zinc/93/22/79/805932279.db2.gz OMKJDUAWVVGYTQ-WBMJQRKESA-N 2 2 279.403 3.485 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1CCCC1 ZINC001251847072 805943289 /nfs/dbraw/zinc/94/32/89/805943289.db2.gz VTBXMDWAEWDAJL-UHFFFAOYSA-N 2 2 284.363 3.095 20 0 CGADLP Cc1cc(Cl)c(C)c(NC(C)(C)CC[NH+](C)C)[nH+]1 ZINC001158760966 805999639 /nfs/dbraw/zinc/99/96/39/805999639.db2.gz SXBVWNQBDSKJQC-UHFFFAOYSA-N 2 2 269.820 3.494 20 0 CGADLP CSc1cc(Nc2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001159372078 806088467 /nfs/dbraw/zinc/08/84/67/806088467.db2.gz OFPKNSYICPTDTP-UHFFFAOYSA-N 2 2 271.389 3.193 20 0 CGADLP CN(C)c1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)c[nH+]1 ZINC001159756635 806166689 /nfs/dbraw/zinc/16/66/89/806166689.db2.gz BFPLITYEZYYDQO-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP c1cn2ccc(Nc3ccc([C@@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159776677 806172094 /nfs/dbraw/zinc/17/20/94/806172094.db2.gz VPZZOWGGUVPFKY-CQSZACIVSA-N 2 2 278.359 3.155 20 0 CGADLP [NH3+]C/C=C/CNc1cc(SCc2ccccc2)cc[nH+]1 ZINC001160982227 806332299 /nfs/dbraw/zinc/33/22/99/806332299.db2.gz GKCGFECHKRSMRS-SNAWJCMRSA-N 2 2 285.416 3.301 20 0 CGADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C ZINC001161187023 806355745 /nfs/dbraw/zinc/35/57/45/806355745.db2.gz LHOGJBMELDBZBI-INIZCTEOSA-N 2 2 273.424 3.375 20 0 CGADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1C ZINC001161187023 806355756 /nfs/dbraw/zinc/35/57/56/806355756.db2.gz LHOGJBMELDBZBI-INIZCTEOSA-N 2 2 273.424 3.375 20 0 CGADLP c1cn(C2CCc3ccccc3CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001254462355 806411187 /nfs/dbraw/zinc/41/11/87/806411187.db2.gz ZCKBXWVVSWIVBL-QGZVFWFLSA-N 2 2 295.430 3.470 20 0 CGADLP c1oc2ccccc2c1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840671 806494776 /nfs/dbraw/zinc/49/47/76/806494776.db2.gz LUKNSBUEMYAMIT-MRXNPFEDSA-N 2 2 284.403 3.049 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840240 806494921 /nfs/dbraw/zinc/49/49/21/806494921.db2.gz DNPMCRSZIAQPCD-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@@H](CC)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841533 806495696 /nfs/dbraw/zinc/49/56/96/806495696.db2.gz XYDUGSDBNVDAEO-ZBFHGGJFSA-N 2 2 252.446 3.277 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852322 806499001 /nfs/dbraw/zinc/49/90/01/806499001.db2.gz GOOUXOYVCMLLAB-ROUUACIJSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852322 806499005 /nfs/dbraw/zinc/49/90/05/806499005.db2.gz GOOUXOYVCMLLAB-ROUUACIJSA-N 2 2 288.410 3.447 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(C)cc(C)[nH+]2)c1 ZINC001162128150 806509853 /nfs/dbraw/zinc/50/98/53/806509853.db2.gz IURKUKNFWREAEU-UHFFFAOYSA-N 2 2 285.391 3.492 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)C1 ZINC001162402284 806577393 /nfs/dbraw/zinc/57/73/93/806577393.db2.gz QCGOWJJDRWCCAB-CVEARBPZSA-N 2 2 285.435 3.067 20 0 CGADLP C[NH+](C)Cc1c(F)cc(NC(=[NH2+])C(C)(C)C)cc1F ZINC001162665558 806643654 /nfs/dbraw/zinc/64/36/54/806643654.db2.gz IJUMOQNTJBMOPV-UHFFFAOYSA-N 2 2 269.339 3.462 20 0 CGADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1cccc(C2CC2)[nH+]1 ZINC001162813775 806668265 /nfs/dbraw/zinc/66/82/65/806668265.db2.gz BWWXYIOEHFOZBA-GFCCVEGCSA-N 2 2 281.350 3.006 20 0 CGADLP CC1(C)C[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001255536488 806668358 /nfs/dbraw/zinc/66/83/58/806668358.db2.gz KOJGQEXGWYIHGO-HNNXBMFYSA-N 2 2 285.391 3.139 20 0 CGADLP Cc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000037156199 798860241 /nfs/dbraw/zinc/86/02/41/798860241.db2.gz IRIWSGJJNURUTF-INIZCTEOSA-N 2 2 271.408 3.396 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC000037997664 798882935 /nfs/dbraw/zinc/88/29/35/798882935.db2.gz LCCVYHGHGOMHCT-ZDUSSCGKSA-N 2 2 282.378 3.176 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000163376746 799082328 /nfs/dbraw/zinc/08/23/28/799082328.db2.gz WJVHYGRKGQVJOI-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000163376746 799082337 /nfs/dbraw/zinc/08/23/37/799082337.db2.gz WJVHYGRKGQVJOI-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001255729705 806724495 /nfs/dbraw/zinc/72/44/95/806724495.db2.gz JKCPNUXXOJONEG-ZIAGYGMSSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001255727176 806721138 /nfs/dbraw/zinc/72/11/38/806721138.db2.gz XZWGQOIZQJTHII-CYBMUJFWSA-N 2 2 293.411 3.183 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000309888638 799219816 /nfs/dbraw/zinc/21/98/16/799219816.db2.gz CSXGVUHVJDPGKQ-KSZLIROESA-N 2 2 293.414 3.404 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000309888638 799219823 /nfs/dbraw/zinc/21/98/23/799219823.db2.gz CSXGVUHVJDPGKQ-KSZLIROESA-N 2 2 293.414 3.404 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740830 799241926 /nfs/dbraw/zinc/24/19/26/799241926.db2.gz HXGKYTFPVJZJFZ-YQQAZPJKSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740830 799241934 /nfs/dbraw/zinc/24/19/34/799241934.db2.gz HXGKYTFPVJZJFZ-YQQAZPJKSA-N 2 2 298.434 3.006 20 0 CGADLP CCc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)nc(CC)[nH+]1 ZINC001163232149 806731313 /nfs/dbraw/zinc/73/13/13/806731313.db2.gz PENVZMGQNOQZSX-CQSZACIVSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)nc(CC)[nH+]1 ZINC001163232149 806731315 /nfs/dbraw/zinc/73/13/15/806731315.db2.gz PENVZMGQNOQZSX-CQSZACIVSA-N 2 2 290.455 3.134 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000388430926 799453150 /nfs/dbraw/zinc/45/31/50/799453150.db2.gz TXNCMUGYRFNOQB-GFCCVEGCSA-N 2 2 252.361 3.035 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000388430926 799453153 /nfs/dbraw/zinc/45/31/53/799453153.db2.gz TXNCMUGYRFNOQB-GFCCVEGCSA-N 2 2 252.361 3.035 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001163367368 806750752 /nfs/dbraw/zinc/75/07/52/806750752.db2.gz YUHOTJICAMDNQT-DZGCQCFKSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001163367368 806750756 /nfs/dbraw/zinc/75/07/56/806750756.db2.gz YUHOTJICAMDNQT-DZGCQCFKSA-N 2 2 290.455 3.439 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255840033 806764531 /nfs/dbraw/zinc/76/45/31/806764531.db2.gz ZXCYOEQBNAFWEA-HOCLYGCPSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001255840033 806764536 /nfs/dbraw/zinc/76/45/36/806764536.db2.gz ZXCYOEQBNAFWEA-HOCLYGCPSA-N 2 2 292.442 3.467 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951943 799669494 /nfs/dbraw/zinc/66/94/94/799669494.db2.gz RYNGPBLQSMDYKS-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951943 799669497 /nfs/dbraw/zinc/66/94/97/799669497.db2.gz RYNGPBLQSMDYKS-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000688774351 799755115 /nfs/dbraw/zinc/75/51/15/799755115.db2.gz BKDPCYCKLCMGSU-VHDGCEQUSA-N 2 2 282.378 3.095 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000688774351 799755119 /nfs/dbraw/zinc/75/51/19/799755119.db2.gz BKDPCYCKLCMGSU-VHDGCEQUSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)[NH+](C)C ZINC000697927942 799851628 /nfs/dbraw/zinc/85/16/28/799851628.db2.gz PYHYFMNURSHDNG-SNVBAGLBSA-N 2 2 292.395 3.165 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001255945619 806792648 /nfs/dbraw/zinc/79/26/48/806792648.db2.gz LRDWQNIULUJPKT-XJKSGUPXSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC001255954584 806798195 /nfs/dbraw/zinc/79/81/95/806798195.db2.gz YBXIUUDDMSBXSP-WFASDCNBSA-N 2 2 296.842 3.484 20 0 CGADLP c1ccc([C@H]2CCC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC001256104283 806819131 /nfs/dbraw/zinc/81/91/31/806819131.db2.gz ZJQYEHSHGNRHIO-ROUUACIJSA-N 2 2 272.436 3.398 20 0 CGADLP CC[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@@H]1CC1(C)C ZINC000722406404 800321847 /nfs/dbraw/zinc/32/18/47/800321847.db2.gz GTDYLVVTLOIBIE-QWHCGFSZSA-N 2 2 281.469 3.119 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(N[C@@H](C)C[NH+](C)C)c1 ZINC001163785907 806827852 /nfs/dbraw/zinc/82/78/52/806827852.db2.gz JKXBZPSHNFGVEF-AWEZNQCLSA-N 2 2 263.429 3.203 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001256207387 806850965 /nfs/dbraw/zinc/85/09/65/806850965.db2.gz HANWHGRZTHTUHH-UHFFFAOYSA-N 2 2 290.527 3.460 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001256207387 806850972 /nfs/dbraw/zinc/85/09/72/806850972.db2.gz HANWHGRZTHTUHH-UHFFFAOYSA-N 2 2 290.527 3.460 20 0 CGADLP Cc1cc(N2CC[NH+]([C@@H](C)CCC(C)C)CC2)nc(C)[nH+]1 ZINC001256368720 806872317 /nfs/dbraw/zinc/87/23/17/806872317.db2.gz PBLWNKYSGJXTAX-HNNXBMFYSA-N 2 2 290.455 3.040 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520861 806909158 /nfs/dbraw/zinc/90/91/58/806909158.db2.gz VCGPITREYDKMPY-KBXCAEBGSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520861 806909163 /nfs/dbraw/zinc/90/91/63/806909163.db2.gz VCGPITREYDKMPY-KBXCAEBGSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1c[nH+]c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c(C)c1 ZINC001165122862 806970114 /nfs/dbraw/zinc/97/01/14/806970114.db2.gz UGRUMBVYTHACRJ-UHFFFAOYSA-N 2 2 293.414 3.021 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC001116289446 802325793 /nfs/dbraw/zinc/32/57/93/802325793.db2.gz WCEGHDZCYWOZAU-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC001116289446 802325805 /nfs/dbraw/zinc/32/58/05/802325805.db2.gz WCEGHDZCYWOZAU-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256784431 806977078 /nfs/dbraw/zinc/97/70/78/806977078.db2.gz CUZYAPIYABPDQQ-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256784431 806977081 /nfs/dbraw/zinc/97/70/81/806977081.db2.gz CUZYAPIYABPDQQ-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC001116495428 802364884 /nfs/dbraw/zinc/36/48/84/802364884.db2.gz VCGZDXDAJFHDOI-HUUCEWRRSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC001116495428 802364895 /nfs/dbraw/zinc/36/48/95/802364895.db2.gz VCGZDXDAJFHDOI-HUUCEWRRSA-N 2 2 288.435 3.147 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(C(F)F)c1 ZINC001116685636 802395563 /nfs/dbraw/zinc/39/55/63/802395563.db2.gz GUBOOTOPZCKMRD-UHFFFAOYSA-N 2 2 291.345 3.375 20 0 CGADLP c1c[nH]c(C[NH2+][C@]23CC[C@](Nc4cccc[nH+]4)(C2)CCC3)c1 ZINC001277753044 809093841 /nfs/dbraw/zinc/09/38/41/809093841.db2.gz PWDIIBKSCJNHDY-MSOLQXFVSA-N 2 2 296.418 3.457 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001256869686 806995390 /nfs/dbraw/zinc/99/53/90/806995390.db2.gz QJVNGDZPQXUHTG-BCLQGDPASA-N 2 2 250.430 3.029 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001256869686 806995392 /nfs/dbraw/zinc/99/53/92/806995392.db2.gz QJVNGDZPQXUHTG-BCLQGDPASA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136857104 803655377 /nfs/dbraw/zinc/65/53/77/803655377.db2.gz ZYTXEAPLVFSYTM-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136857104 803655380 /nfs/dbraw/zinc/65/53/80/803655380.db2.gz ZYTXEAPLVFSYTM-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137293773 803711575 /nfs/dbraw/zinc/71/15/75/803711575.db2.gz ABIGPLUJVVXBHJ-TXEJJXNPSA-N 2 2 284.856 3.093 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137293773 803711577 /nfs/dbraw/zinc/71/15/77/803711577.db2.gz ABIGPLUJVVXBHJ-TXEJJXNPSA-N 2 2 284.856 3.093 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137293773 803711579 /nfs/dbraw/zinc/71/15/79/803711579.db2.gz ABIGPLUJVVXBHJ-TXEJJXNPSA-N 2 2 284.856 3.093 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137293773 803711582 /nfs/dbraw/zinc/71/15/82/803711582.db2.gz ABIGPLUJVVXBHJ-TXEJJXNPSA-N 2 2 284.856 3.093 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC001137321401 803715341 /nfs/dbraw/zinc/71/53/41/803715341.db2.gz KCLZOOWSPPFRLL-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC001137321401 803715343 /nfs/dbraw/zinc/71/53/43/803715343.db2.gz KCLZOOWSPPFRLL-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP Fc1ccc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001137341213 803718713 /nfs/dbraw/zinc/71/87/13/803718713.db2.gz CRPROHXQWGQHBL-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(-c2ccncc2C[NH3+])c1 ZINC001245559903 803813853 /nfs/dbraw/zinc/81/38/53/803813853.db2.gz GDZJCEAHDNSWOQ-UHFFFAOYSA-N 2 2 269.392 3.362 20 0 CGADLP CCc1cccc2c(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001138364452 803907052 /nfs/dbraw/zinc/90/70/52/803907052.db2.gz RHIAUQNYDOFCRG-MAUKXSAKSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001138364452 803907055 /nfs/dbraw/zinc/90/70/55/803907055.db2.gz RHIAUQNYDOFCRG-MAUKXSAKSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c21 ZINC001138364452 803907059 /nfs/dbraw/zinc/90/70/59/803907059.db2.gz RHIAUQNYDOFCRG-MAUKXSAKSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c21 ZINC001138364452 803907063 /nfs/dbraw/zinc/90/70/63/803907063.db2.gz RHIAUQNYDOFCRG-MAUKXSAKSA-N 2 2 297.446 3.256 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC001138550529 803966718 /nfs/dbraw/zinc/96/67/18/803966718.db2.gz VWGLXJYTOQFEOT-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC001138550529 803966722 /nfs/dbraw/zinc/96/67/22/803966722.db2.gz VWGLXJYTOQFEOT-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246073924 804112081 /nfs/dbraw/zinc/11/20/81/804112081.db2.gz AZPAZQQWAPYPHY-BMFZPTHFSA-N 2 2 260.425 3.491 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139064110 804122077 /nfs/dbraw/zinc/12/20/77/804122077.db2.gz OWGXEZWJLKABBV-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139064110 804122079 /nfs/dbraw/zinc/12/20/79/804122079.db2.gz OWGXEZWJLKABBV-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089031 804122130 /nfs/dbraw/zinc/12/21/30/804122130.db2.gz BAYGESYZIANMBN-OCCSQVGLSA-N 2 2 282.428 3.038 20 0 CGADLP CCCCC[C@H](CCC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140880 804163633 /nfs/dbraw/zinc/16/36/33/804163633.db2.gz GZJVVZUXIGBGLZ-IRXDYDNUSA-N 3 2 295.515 3.199 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1cccc2ccccc21 ZINC001246155628 804172332 /nfs/dbraw/zinc/17/23/32/804172332.db2.gz WNMDBKAGEVRJDB-NFAWXSAZSA-N 2 2 254.377 3.241 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC001246162724 804178663 /nfs/dbraw/zinc/17/86/63/804178663.db2.gz RDCILNYDXHHUGH-ROUUACIJSA-N 3 2 295.515 3.009 20 0 CGADLP C[C@@]1(CF)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356632 804181617 /nfs/dbraw/zinc/18/16/17/804181617.db2.gz PHDXMYNDHGBLEF-INIZCTEOSA-N 2 2 273.355 3.054 20 0 CGADLP C[C@@]1(CF)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356632 804181619 /nfs/dbraw/zinc/18/16/19/804181619.db2.gz PHDXMYNDHGBLEF-INIZCTEOSA-N 2 2 273.355 3.054 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246169950 804184011 /nfs/dbraw/zinc/18/40/11/804184011.db2.gz KCSKAZGUGZIDRX-LJQANCHMSA-N 2 2 282.431 3.387 20 0 CGADLP CCCCc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246177113 804190994 /nfs/dbraw/zinc/19/09/94/804190994.db2.gz HGHWSAJAZGRNSY-PBHICJAKSA-N 2 2 260.425 3.259 20 0 CGADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001246196535 804202961 /nfs/dbraw/zinc/20/29/61/804202961.db2.gz TZIILLGRGPQBPP-ZDUSSCGKSA-N 2 2 286.341 3.282 20 0 CGADLP C[C@H]1CC([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)C1 ZINC001246196449 804204150 /nfs/dbraw/zinc/20/41/50/804204150.db2.gz XICLJPYYCOKOOH-JTNHKYCSSA-N 2 2 292.389 3.331 20 0 CGADLP C[C@H]1CC([NH2+]C2(c3ccccc3Cl)CC2)C[C@H](C)[NH2+]1 ZINC001246208428 804207007 /nfs/dbraw/zinc/20/70/07/804207007.db2.gz AAKUYRJSCAIOBN-RYUDHWBXSA-N 2 2 278.827 3.448 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246226700 804221029 /nfs/dbraw/zinc/22/10/29/804221029.db2.gz TVDGLUSTPDFGTG-UONOGXRCSA-N 2 2 282.378 3.365 20 0 CGADLP C[C@H]1CC([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H](C)[NH2+]1 ZINC001246228511 804222584 /nfs/dbraw/zinc/22/25/84/804222584.db2.gz XWAWJVYVEJTOQI-IUCAKERBSA-N 2 2 288.769 3.237 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1Cl ZINC001246293656 804262543 /nfs/dbraw/zinc/26/25/43/804262543.db2.gz OZQVMLNNYCQKEG-MBNYWOFBSA-N 2 2 266.816 3.440 20 0 CGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299196 804266053 /nfs/dbraw/zinc/26/60/53/804266053.db2.gz GMFJXEKZHSTLAY-QOCJCZBQSA-N 3 2 295.515 3.375 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324583 804282219 /nfs/dbraw/zinc/28/22/19/804282219.db2.gz FQYNTHFQVSKEKL-IAQYHMDHSA-N 2 2 298.833 3.388 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CSCC[NH2+]3)C2)cc1 ZINC001246336056 804290673 /nfs/dbraw/zinc/29/06/73/804290673.db2.gz LCHFAVWAGFRTEY-ZACQAIPSSA-N 2 2 290.476 3.007 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)CC[NH2+]1 ZINC001246399545 804321318 /nfs/dbraw/zinc/32/13/18/804321318.db2.gz ZCXCJJKFHJWCMX-NORZTCDRSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C[NH2+]1 ZINC001246461232 804341869 /nfs/dbraw/zinc/34/18/69/804341869.db2.gz XQWKHDUWDZCNKJ-KBRIMQKVSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140027505 804355087 /nfs/dbraw/zinc/35/50/87/804355087.db2.gz ODPRKSORJHTOML-PBHICJAKSA-N 2 2 267.376 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140027505 804355095 /nfs/dbraw/zinc/35/50/95/804355095.db2.gz ODPRKSORJHTOML-PBHICJAKSA-N 2 2 267.376 3.165 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246507386 804365043 /nfs/dbraw/zinc/36/50/43/804365043.db2.gz BIIFPDIJLJZQRJ-HOCLYGCPSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246513530 804368894 /nfs/dbraw/zinc/36/88/94/804368894.db2.gz XULCNJNSKQJIFX-JLJPHGGASA-N 2 2 278.440 3.499 20 0 CGADLP CCCC(CCC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246526338 804381233 /nfs/dbraw/zinc/38/12/33/804381233.db2.gz PRCMNMCKGDJVEY-MRXNPFEDSA-N 2 2 292.423 3.031 20 0 CGADLP Clc1cc2c(cc1Cl)C[C@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC001246526444 804382271 /nfs/dbraw/zinc/38/22/71/804382271.db2.gz XLRXQUBCONCHJL-CYBMUJFWSA-N 2 2 299.245 3.146 20 0 CGADLP Clc1cc2c(cc1Cl)C[C@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC001246526444 804382280 /nfs/dbraw/zinc/38/22/80/804382280.db2.gz XLRXQUBCONCHJL-CYBMUJFWSA-N 2 2 299.245 3.146 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546198 804395709 /nfs/dbraw/zinc/39/57/09/804395709.db2.gz ZTNVCOHFRAAFAO-SWLSCSKDSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546198 804395717 /nfs/dbraw/zinc/39/57/17/804395717.db2.gz ZTNVCOHFRAAFAO-SWLSCSKDSA-N 2 2 282.428 3.120 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246559546 804408310 /nfs/dbraw/zinc/40/83/10/804408310.db2.gz CUKXJBVLPZLQIK-IIAWOOMASA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246559546 804408315 /nfs/dbraw/zinc/40/83/15/804408315.db2.gz CUKXJBVLPZLQIK-IIAWOOMASA-N 2 2 278.465 3.145 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246560572 804409269 /nfs/dbraw/zinc/40/92/69/804409269.db2.gz VPWVPYJEMODJOO-VNHYZAJKSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246560572 804409272 /nfs/dbraw/zinc/40/92/72/804409272.db2.gz VPWVPYJEMODJOO-VNHYZAJKSA-N 2 2 296.455 3.366 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573416 804420905 /nfs/dbraw/zinc/42/09/05/804420905.db2.gz CERLKFDGIOPZOB-HUUCEWRRSA-N 2 2 256.409 3.274 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573416 804420908 /nfs/dbraw/zinc/42/09/08/804420908.db2.gz CERLKFDGIOPZOB-HUUCEWRRSA-N 2 2 256.409 3.274 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579883 804424402 /nfs/dbraw/zinc/42/44/02/804424402.db2.gz LZENNMMUILMGTE-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579883 804424406 /nfs/dbraw/zinc/42/44/06/804424406.db2.gz LZENNMMUILMGTE-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588309 804432114 /nfs/dbraw/zinc/43/21/14/804432114.db2.gz LEODFCZXHIORTC-AIEDFZFUSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588309 804432118 /nfs/dbraw/zinc/43/21/18/804432118.db2.gz LEODFCZXHIORTC-AIEDFZFUSA-N 2 2 274.399 3.068 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604048 804440111 /nfs/dbraw/zinc/44/01/11/804440111.db2.gz MXMXVLXRVDIEIG-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604048 804440113 /nfs/dbraw/zinc/44/01/13/804440113.db2.gz MXMXVLXRVDIEIG-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618286 804451271 /nfs/dbraw/zinc/45/12/71/804451271.db2.gz IWWYTRXOSOFHDO-KCMWZYNZSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618286 804451276 /nfs/dbraw/zinc/45/12/76/804451276.db2.gz IWWYTRXOSOFHDO-KCMWZYNZSA-N 2 2 270.420 3.136 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620349 804453228 /nfs/dbraw/zinc/45/32/28/804453228.db2.gz SBSKZQZULIPDOC-JLSDUUJJSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620349 804453231 /nfs/dbraw/zinc/45/32/31/804453231.db2.gz SBSKZQZULIPDOC-JLSDUUJJSA-N 2 2 272.436 3.382 20 0 CGADLP C1[NH2+][C@@H]2CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@H]12 ZINC001246628300 804459130 /nfs/dbraw/zinc/45/91/30/804459130.db2.gz BUKYHBUIXUXZEI-HRCADAONSA-N 2 2 262.441 3.173 20 0 CGADLP C1[NH2+][C@@H]2CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C[C@H]12 ZINC001246628300 804459133 /nfs/dbraw/zinc/45/91/33/804459133.db2.gz BUKYHBUIXUXZEI-HRCADAONSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791964 804514733 /nfs/dbraw/zinc/51/47/33/804514733.db2.gz NMRNAHCATXLYKJ-GFCCVEGCSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791964 804514739 /nfs/dbraw/zinc/51/47/39/804514739.db2.gz NMRNAHCATXLYKJ-GFCCVEGCSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246823127 804536673 /nfs/dbraw/zinc/53/66/73/804536673.db2.gz NJXSJKGDPLYYNL-MRVWCRGKSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246823127 804536674 /nfs/dbraw/zinc/53/66/74/804536674.db2.gz NJXSJKGDPLYYNL-MRVWCRGKSA-N 2 2 278.827 3.009 20 0 CGADLP CC1(C)CCC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246826315 804538927 /nfs/dbraw/zinc/53/89/27/804538927.db2.gz CEOSWZBZYOCUSY-MNOVXSKESA-N 2 2 278.362 3.167 20 0 CGADLP CC1(C)CCC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246826315 804538932 /nfs/dbraw/zinc/53/89/32/804538932.db2.gz CEOSWZBZYOCUSY-MNOVXSKESA-N 2 2 278.362 3.167 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246886030 804581609 /nfs/dbraw/zinc/58/16/09/804581609.db2.gz GUDSRTGWYKUKIR-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246886030 804581612 /nfs/dbraw/zinc/58/16/12/804581612.db2.gz GUDSRTGWYKUKIR-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOCC3)CC2)c[nH+]1 ZINC001141071740 804584863 /nfs/dbraw/zinc/58/48/63/804584863.db2.gz CJZBPZGLSXIKDI-UHFFFAOYSA-N 2 2 291.439 3.145 20 0 CGADLP CCSC[C@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924441 804603617 /nfs/dbraw/zinc/60/36/17/804603617.db2.gz MNCXILKUMATLQA-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CCSC[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924441 804603624 /nfs/dbraw/zinc/60/36/24/804603624.db2.gz MNCXILKUMATLQA-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952296 804616259 /nfs/dbraw/zinc/61/62/59/804616259.db2.gz JAWSJADGPHBRNH-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952296 804616260 /nfs/dbraw/zinc/61/62/60/804616260.db2.gz JAWSJADGPHBRNH-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP CCCC[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949180 804616958 /nfs/dbraw/zinc/61/69/58/804616958.db2.gz NDCQLUUSRQKFCC-NVXWUHKLSA-N 2 2 275.440 3.214 20 0 CGADLP CCCC[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246949180 804616962 /nfs/dbraw/zinc/61/69/62/804616962.db2.gz NDCQLUUSRQKFCC-NVXWUHKLSA-N 2 2 275.440 3.214 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001246981803 804627007 /nfs/dbraw/zinc/62/70/07/804627007.db2.gz RUXRPVIHJSOAOL-WDEREUQCSA-N 2 2 272.845 3.100 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001246981803 804627011 /nfs/dbraw/zinc/62/70/11/804627011.db2.gz RUXRPVIHJSOAOL-WDEREUQCSA-N 2 2 272.845 3.100 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)CC1 ZINC001246989019 804629868 /nfs/dbraw/zinc/62/98/68/804629868.db2.gz RGDZAGSRDLZDGB-HTWSVDAQSA-N 2 2 294.483 3.046 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)CC1 ZINC001246989019 804629872 /nfs/dbraw/zinc/62/98/72/804629872.db2.gz RGDZAGSRDLZDGB-HTWSVDAQSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cc(F)ccc2n1 ZINC001141652706 804662693 /nfs/dbraw/zinc/66/26/93/804662693.db2.gz RVJLGHNAJXRPFO-UHFFFAOYSA-N 2 2 289.398 3.148 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc(F)ccc2n1 ZINC001141652706 804662695 /nfs/dbraw/zinc/66/26/95/804662695.db2.gz RVJLGHNAJXRPFO-UHFFFAOYSA-N 2 2 289.398 3.148 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+](C)CCC[NH+](C)C ZINC001141979412 804684952 /nfs/dbraw/zinc/68/49/52/804684952.db2.gz SJCREUSXYVDDNX-UHFFFAOYSA-N 2 2 287.407 3.034 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+](C)CCC[NH+](C)C ZINC001141979412 804684956 /nfs/dbraw/zinc/68/49/56/804684956.db2.gz SJCREUSXYVDDNX-UHFFFAOYSA-N 2 2 287.407 3.034 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(F)c2C)CC1 ZINC001143763942 804893178 /nfs/dbraw/zinc/89/31/78/804893178.db2.gz GLUUNQUGPTYGSG-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(F)c2C)CC1 ZINC001143763942 804893186 /nfs/dbraw/zinc/89/31/86/804893186.db2.gz GLUUNQUGPTYGSG-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1c2ccoc2ccc1F ZINC001248539654 804946312 /nfs/dbraw/zinc/94/63/12/804946312.db2.gz RVPNSXBZUOEDKF-UHFFFAOYSA-N 2 2 290.382 3.490 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1c2ccoc2ccc1F ZINC001248539654 804946316 /nfs/dbraw/zinc/94/63/16/804946316.db2.gz RVPNSXBZUOEDKF-UHFFFAOYSA-N 2 2 290.382 3.490 20 0 CGADLP C[C@@H]1C[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC001257085387 807047869 /nfs/dbraw/zinc/04/78/69/807047869.db2.gz NDWIGKVPOHTUFN-YWVIFJGQSA-N 2 2 285.391 3.137 20 0 CGADLP Nc1[nH+]c2ccccc2n1-c1cc[nH+]cc1C(F)(F)F ZINC001249584830 805181813 /nfs/dbraw/zinc/18/18/13/805181813.db2.gz YTJVKMBJUNZKRO-UHFFFAOYSA-N 2 2 278.237 3.022 20 0 CGADLP CSc1c[nH+]c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c(C)c1 ZINC001155029194 805526481 /nfs/dbraw/zinc/52/64/81/805526481.db2.gz FBDCKVWGJSLLFS-STQMWFEESA-N 2 2 279.453 3.160 20 0 CGADLP c1cn(CCc2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001250316803 805561616 /nfs/dbraw/zinc/56/16/16/805561616.db2.gz YUYCHZBISZAAEU-UHFFFAOYSA-N 2 2 269.392 3.112 20 0 CGADLP CCSc1cc[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155271794 805566212 /nfs/dbraw/zinc/56/62/12/805566212.db2.gz CBSCVGSOQKYAHH-UHFFFAOYSA-N 2 2 299.443 3.451 20 0 CGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001257292221 807089702 /nfs/dbraw/zinc/08/97/02/807089702.db2.gz VMJXPHHJILLIKD-UHFFFAOYSA-N 2 2 276.424 3.135 20 0 CGADLP CNc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c[nH+]1 ZINC001166900451 807111263 /nfs/dbraw/zinc/11/12/63/807111263.db2.gz JDQRUVOWCJWVCH-QGZVFWFLSA-N 2 2 296.418 3.372 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc(C3CC3)[nH+]2)c1 ZINC001167034447 807133933 /nfs/dbraw/zinc/13/39/33/807133933.db2.gz GRCIKLSSGQTYGZ-UHFFFAOYSA-N 2 2 253.349 3.422 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001167838237 807259345 /nfs/dbraw/zinc/25/93/45/807259345.db2.gz SHYYEBHNOMBROI-MRXNPFEDSA-N 3 2 292.471 3.031 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001258014550 807267173 /nfs/dbraw/zinc/26/71/73/807267173.db2.gz NEBHYIIEPVJWHY-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCOc3ccccc3C2)CC1 ZINC001258014550 807267174 /nfs/dbraw/zinc/26/71/74/807267174.db2.gz NEBHYIIEPVJWHY-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP Cc1[nH+]cn([C@H](C)C[C@H](C)CC(C)C)c1CC[NH3+] ZINC001258050122 807275933 /nfs/dbraw/zinc/27/59/33/807275933.db2.gz BHSQXPGBHMDNEC-CHWSQXEVSA-N 2 2 251.418 3.326 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001168192178 807342264 /nfs/dbraw/zinc/34/22/64/807342264.db2.gz NRXLBPIDWQYFGY-KMFMINBZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001168192178 807342273 /nfs/dbraw/zinc/34/22/73/807342273.db2.gz NRXLBPIDWQYFGY-KMFMINBZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001168192178 807342283 /nfs/dbraw/zinc/34/22/83/807342283.db2.gz NRXLBPIDWQYFGY-KMFMINBZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001168192178 807342292 /nfs/dbraw/zinc/34/22/92/807342292.db2.gz NRXLBPIDWQYFGY-KMFMINBZSA-N 2 2 292.854 3.297 20 0 CGADLP CSCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258207069 807363231 /nfs/dbraw/zinc/36/32/31/807363231.db2.gz RWWGCRFUPWRVKO-CYBMUJFWSA-N 2 2 296.455 3.217 20 0 CGADLP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(F)c1F ZINC001168353820 807389777 /nfs/dbraw/zinc/38/97/77/807389777.db2.gz VPDWNCUZAHYSAW-UHFFFAOYSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1ccc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168356400 807391335 /nfs/dbraw/zinc/39/13/35/807391335.db2.gz QXBHIGUYHJZLIS-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccc(N([C@@H](C)CC2CC2)C2CC[NH2+]CC2)[nH+]c1 ZINC001258471087 807469972 /nfs/dbraw/zinc/46/99/72/807469972.db2.gz VZTQDPFGLUXKQG-AWEZNQCLSA-N 2 2 273.424 3.137 20 0 CGADLP C[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(C)(C)C ZINC001168686750 807478840 /nfs/dbraw/zinc/47/88/40/807478840.db2.gz XBABDTSEMFSSFE-DZGCQCFKSA-N 2 2 275.440 3.066 20 0 CGADLP C[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(C)(C)C ZINC001168686750 807478847 /nfs/dbraw/zinc/47/88/47/807478847.db2.gz XBABDTSEMFSSFE-DZGCQCFKSA-N 2 2 275.440 3.066 20 0 CGADLP CC[C@H](C)C[C@@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695950 807487217 /nfs/dbraw/zinc/48/72/17/807487217.db2.gz WWEFLYAQHLXHRN-ZMSDIMECSA-N 2 2 289.467 3.456 20 0 CGADLP CC[C@H](C)C[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695950 807487223 /nfs/dbraw/zinc/48/72/23/807487223.db2.gz WWEFLYAQHLXHRN-ZMSDIMECSA-N 2 2 289.467 3.456 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601715 807501237 /nfs/dbraw/zinc/50/12/37/807501237.db2.gz ZOBLPCBADVMIJH-FGTMMUONSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601715 807501244 /nfs/dbraw/zinc/50/12/44/807501244.db2.gz ZOBLPCBADVMIJH-FGTMMUONSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601715 807501246 /nfs/dbraw/zinc/50/12/46/807501246.db2.gz ZOBLPCBADVMIJH-FGTMMUONSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601715 807501255 /nfs/dbraw/zinc/50/12/55/807501255.db2.gz ZOBLPCBADVMIJH-FGTMMUONSA-N 2 2 299.462 3.024 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258703595 807558419 /nfs/dbraw/zinc/55/84/19/807558419.db2.gz JLEGNTBPXVCJLQ-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258703595 807558422 /nfs/dbraw/zinc/55/84/22/807558422.db2.gz JLEGNTBPXVCJLQ-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169094959 807573847 /nfs/dbraw/zinc/57/38/47/807573847.db2.gz NZRANHCHPYNPCQ-FQUUOJAGSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169094959 807573851 /nfs/dbraw/zinc/57/38/51/807573851.db2.gz NZRANHCHPYNPCQ-FQUUOJAGSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258739169 807584978 /nfs/dbraw/zinc/58/49/78/807584978.db2.gz RLNSPPBVNNMCJV-KBPBESRZSA-N 2 2 280.843 3.345 20 0 CGADLP [NH3+]Cc1cccc2c1cnn2-c1cccc(C2=[NH+]CCC2)c1 ZINC001169192486 807600082 /nfs/dbraw/zinc/60/00/82/807600082.db2.gz NENOWBRKVXWQOO-UHFFFAOYSA-N 2 2 290.370 3.067 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001169229902 807610276 /nfs/dbraw/zinc/61/02/76/807610276.db2.gz KTSZYFXIJXBESW-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001170070344 807746945 /nfs/dbraw/zinc/74/69/45/807746945.db2.gz DHCKUWGDRYBOCL-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001170070344 807746949 /nfs/dbraw/zinc/74/69/49/807746949.db2.gz DHCKUWGDRYBOCL-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1C[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001170194143 807791905 /nfs/dbraw/zinc/79/19/05/807791905.db2.gz VPGAPVZEPGFVGE-HZPDHXFCSA-N 2 2 285.391 3.139 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCCCC2 ZINC001262275559 807845598 /nfs/dbraw/zinc/84/55/98/807845598.db2.gz FSDLMQYBGZVWMB-HZPDHXFCSA-N 2 2 291.439 3.244 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170997995 807953578 /nfs/dbraw/zinc/95/35/78/807953578.db2.gz UOAUYWYBVNNTIR-INIZCTEOSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(F)c2C1 ZINC001170997995 807953581 /nfs/dbraw/zinc/95/35/81/807953581.db2.gz UOAUYWYBVNNTIR-INIZCTEOSA-N 2 2 290.426 3.099 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171010135 807958902 /nfs/dbraw/zinc/95/89/02/807958902.db2.gz LXDLIBAWBIFOKL-AWEZNQCLSA-N 2 2 280.843 3.129 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226884 808203845 /nfs/dbraw/zinc/20/38/45/808203845.db2.gz ITEFIKXKKGTOBN-AYHJJNSGSA-N 2 2 297.402 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226884 808203847 /nfs/dbraw/zinc/20/38/47/808203847.db2.gz ITEFIKXKKGTOBN-AYHJJNSGSA-N 2 2 297.402 3.014 20 0 CGADLP CCOCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172411640 808298206 /nfs/dbraw/zinc/29/82/06/808298206.db2.gz QOSJUNMIMXUXJR-FUHWJXTLSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531806 808368970 /nfs/dbraw/zinc/36/89/70/808368970.db2.gz ARIRYENFDWLRES-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531806 808368975 /nfs/dbraw/zinc/36/89/75/808368975.db2.gz ARIRYENFDWLRES-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172545916 808375003 /nfs/dbraw/zinc/37/50/03/808375003.db2.gz NLQUKFIQKRHRHK-SJORKVTESA-N 2 2 283.419 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172838457 808453467 /nfs/dbraw/zinc/45/34/67/808453467.db2.gz LBWBARAWCSIRQH-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172838457 808453470 /nfs/dbraw/zinc/45/34/70/808453470.db2.gz LBWBARAWCSIRQH-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP Cc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001172840949 808456143 /nfs/dbraw/zinc/45/61/43/808456143.db2.gz DFYYNYCYSYLEHO-WMZOPIPTSA-N 2 2 295.430 3.389 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172849050 808462319 /nfs/dbraw/zinc/46/23/19/808462319.db2.gz IYPDIPJBHMCJBF-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172849050 808462324 /nfs/dbraw/zinc/46/23/24/808462324.db2.gz IYPDIPJBHMCJBF-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC001172864229 808468163 /nfs/dbraw/zinc/46/81/63/808468163.db2.gz QACPCVBNNVMDFF-GFCCVEGCSA-N 2 2 298.833 3.436 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC001173237636 808545836 /nfs/dbraw/zinc/54/58/36/808545836.db2.gz JLELLKFQWSJAFG-JKSUJKDBSA-N 2 2 274.452 3.254 20 0 CGADLP CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173260939 808566843 /nfs/dbraw/zinc/56/68/43/808566843.db2.gz VGLFSSAUYIALOL-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP CCCC[C@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173260939 808566846 /nfs/dbraw/zinc/56/68/46/808566846.db2.gz VGLFSSAUYIALOL-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP CCSC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001173299247 808599079 /nfs/dbraw/zinc/59/90/79/808599079.db2.gz SZBJNUVHPGYSCY-GFCCVEGCSA-N 2 2 275.421 3.323 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001173928827 808768108 /nfs/dbraw/zinc/76/81/08/808768108.db2.gz MFNBCMOZPGUGGS-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP COc1cc(Nc2ccccc2C[NH+](C)C)cc(C)[nH+]1 ZINC001173930614 808769747 /nfs/dbraw/zinc/76/97/47/808769747.db2.gz XTNQQRVCKAIEFG-UHFFFAOYSA-N 2 2 271.364 3.204 20 0 CGADLP CC(C)n1c[nH+]c2cc(Nc3cc[nH+]c(CO)c3)ccc21 ZINC001174381175 808985392 /nfs/dbraw/zinc/98/53/92/808985392.db2.gz ALLJGYYKSXNWLW-UHFFFAOYSA-N 2 2 282.347 3.248 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cccc(F)c2[nH]1 ZINC001276187533 808991973 /nfs/dbraw/zinc/99/19/73/808991973.db2.gz HTNVKQRQTDRYRN-LQDVMPOASA-N 2 2 287.382 3.022 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cccc(F)c2[nH]1 ZINC001276187533 808991979 /nfs/dbraw/zinc/99/19/79/808991979.db2.gz HTNVKQRQTDRYRN-LQDVMPOASA-N 2 2 287.382 3.022 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276243972 808996160 /nfs/dbraw/zinc/99/61/60/808996160.db2.gz NQHVPPDEHMIHCO-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276243972 808996163 /nfs/dbraw/zinc/99/61/63/808996163.db2.gz NQHVPPDEHMIHCO-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276243972 808996166 /nfs/dbraw/zinc/99/61/66/808996166.db2.gz NQHVPPDEHMIHCO-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276243972 808996169 /nfs/dbraw/zinc/99/61/69/808996169.db2.gz NQHVPPDEHMIHCO-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276485577 809012422 /nfs/dbraw/zinc/01/24/22/809012422.db2.gz ISTYJMZNUIBWPR-MRXNPFEDSA-N 2 2 296.499 3.245 20 0 CGADLP COC(C)(C)CCC[C@@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276485577 809012429 /nfs/dbraw/zinc/01/24/29/809012429.db2.gz ISTYJMZNUIBWPR-MRXNPFEDSA-N 2 2 296.499 3.245 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1c[nH+]ccc1N(C)C ZINC001213492110 815290025 /nfs/dbraw/zinc/29/00/25/815290025.db2.gz VCALHORRBGOQRC-UHFFFAOYSA-N 2 2 268.364 3.472 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001179139511 809906092 /nfs/dbraw/zinc/90/60/92/809906092.db2.gz JLKUIKVRALTYMT-HRCADAONSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001179139511 809906097 /nfs/dbraw/zinc/90/60/97/809906097.db2.gz JLKUIKVRALTYMT-HRCADAONSA-N 2 2 264.457 3.441 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182634744 810117747 /nfs/dbraw/zinc/11/77/47/810117747.db2.gz OFZFTZTWQQBHEZ-NRKLIOEPSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182634744 810117750 /nfs/dbraw/zinc/11/77/50/810117750.db2.gz OFZFTZTWQQBHEZ-NRKLIOEPSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC001182634958 810118641 /nfs/dbraw/zinc/11/86/41/810118641.db2.gz ULEMDSRTCYMUEF-JZAWBGDQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC001182634958 810118645 /nfs/dbraw/zinc/11/86/45/810118645.db2.gz ULEMDSRTCYMUEF-JZAWBGDQSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC001184208005 810182908 /nfs/dbraw/zinc/18/29/08/810182908.db2.gz XPGPJMRSQYCEJA-KRWDZBQOSA-N 2 2 262.441 3.103 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC001197497370 811426290 /nfs/dbraw/zinc/42/62/90/811426290.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC001197497370 811426296 /nfs/dbraw/zinc/42/62/96/811426296.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC001197497370 811426300 /nfs/dbraw/zinc/42/63/00/811426300.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC001197497370 811426305 /nfs/dbraw/zinc/42/63/05/811426305.db2.gz RGTRCPQETFBREG-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC001199742334 811594017 /nfs/dbraw/zinc/59/40/17/811594017.db2.gz AEYJIDNJTPTCDT-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC001199742334 811594021 /nfs/dbraw/zinc/59/40/21/811594021.db2.gz AEYJIDNJTPTCDT-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@@H+]3CC[C@H](C)C3)cccc12 ZINC001200751597 811740058 /nfs/dbraw/zinc/74/00/58/811740058.db2.gz OXOSRWAELCNSRY-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@H+]3CC[C@H](C)C3)cccc12 ZINC001200751597 811740067 /nfs/dbraw/zinc/74/00/67/811740067.db2.gz OXOSRWAELCNSRY-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001202987296 812214312 /nfs/dbraw/zinc/21/43/12/812214312.db2.gz WYBQBUQLXUIFGN-NCOADZHNSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001202987296 812214320 /nfs/dbraw/zinc/21/43/20/812214320.db2.gz WYBQBUQLXUIFGN-NCOADZHNSA-N 2 2 264.457 3.419 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001203033462 812221757 /nfs/dbraw/zinc/22/17/57/812221757.db2.gz ZMENHTPIJRXOEZ-UHFFFAOYSA-N 2 2 280.431 3.456 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001203033462 812221765 /nfs/dbraw/zinc/22/17/65/812221765.db2.gz ZMENHTPIJRXOEZ-UHFFFAOYSA-N 2 2 280.431 3.456 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CCOC3(C)C)CC2)c(C)[nH+]1 ZINC001203250537 812282704 /nfs/dbraw/zinc/28/27/04/812282704.db2.gz HBGLZSJBDXZQBE-UHFFFAOYSA-N 2 2 291.439 3.062 20 0 CGADLP Cn1c[nH+]cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717892 812439920 /nfs/dbraw/zinc/43/99/20/812439920.db2.gz OBPWGKHWMOVZQU-UHFFFAOYSA-N 2 2 256.353 3.154 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001203972082 812505361 /nfs/dbraw/zinc/50/53/61/812505361.db2.gz ISWFTMWXSCCTAF-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001203972082 812505365 /nfs/dbraw/zinc/50/53/65/812505365.db2.gz ISWFTMWXSCCTAF-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)s1 ZINC001204033003 812526589 /nfs/dbraw/zinc/52/65/89/812526589.db2.gz DGSWQOOKTIDUQW-UHFFFAOYSA-N 2 2 296.455 3.455 20 0 CGADLP Cc1c(F)cccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001204507437 812659134 /nfs/dbraw/zinc/65/91/34/812659134.db2.gz YWSKFWMGNFESFD-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(C)c1 ZINC001204525300 812666247 /nfs/dbraw/zinc/66/62/47/812666247.db2.gz YAUJUMBKMAJLSS-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(C)c1 ZINC001204525300 812666251 /nfs/dbraw/zinc/66/62/51/812666251.db2.gz YAUJUMBKMAJLSS-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP C[NH+](C)Cc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001204631762 812696590 /nfs/dbraw/zinc/69/65/90/812696590.db2.gz OBICQWDWXUUACD-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204783070 812735309 /nfs/dbraw/zinc/73/53/09/812735309.db2.gz NYAIMNAARUIZRG-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204783070 812735315 /nfs/dbraw/zinc/73/53/15/812735315.db2.gz NYAIMNAARUIZRG-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204789782 812737898 /nfs/dbraw/zinc/73/78/98/812737898.db2.gz CFIAZMZNZKVCIA-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204789782 812737902 /nfs/dbraw/zinc/73/79/02/812737902.db2.gz CFIAZMZNZKVCIA-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)CC12CC2 ZINC001204904272 812770785 /nfs/dbraw/zinc/77/07/85/812770785.db2.gz MVANETHOHCHYHF-CQSZACIVSA-N 2 2 299.245 3.349 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CC12CC2 ZINC001204904272 812770788 /nfs/dbraw/zinc/77/07/88/812770788.db2.gz MVANETHOHCHYHF-CQSZACIVSA-N 2 2 299.245 3.349 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(Cc3ccccc3)cc2)CC12CC2 ZINC001204911056 812772104 /nfs/dbraw/zinc/77/21/04/812772104.db2.gz CGFUNELFPZZXQP-LJQANCHMSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)CC12CC2 ZINC001204911056 812772110 /nfs/dbraw/zinc/77/21/10/812772110.db2.gz CGFUNELFPZZXQP-LJQANCHMSA-N 2 2 292.426 3.201 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204938882 812787193 /nfs/dbraw/zinc/78/71/93/812787193.db2.gz OFJNSGOELDDIFZ-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204938882 812787196 /nfs/dbraw/zinc/78/71/96/812787196.db2.gz OFJNSGOELDDIFZ-KRWDZBQOSA-N 2 2 260.425 3.297 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204944796 812790981 /nfs/dbraw/zinc/79/09/81/812790981.db2.gz CFMLHXGOKORNIA-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204944796 812790984 /nfs/dbraw/zinc/79/09/84/812790984.db2.gz CFMLHXGOKORNIA-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205088616 812854942 /nfs/dbraw/zinc/85/49/42/812854942.db2.gz QTYAXQDPJNRVSA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205088616 812854954 /nfs/dbraw/zinc/85/49/54/812854954.db2.gz QTYAXQDPJNRVSA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205124599 812878147 /nfs/dbraw/zinc/87/81/47/812878147.db2.gz WDFLWSIASYVOQS-ZDUSSCGKSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205124599 812878156 /nfs/dbraw/zinc/87/81/56/812878156.db2.gz WDFLWSIASYVOQS-ZDUSSCGKSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205201927 812907109 /nfs/dbraw/zinc/90/71/09/812907109.db2.gz OZRVKWXEMVKPEB-RHSMWYFYSA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205201927 812907112 /nfs/dbraw/zinc/90/71/12/812907112.db2.gz OZRVKWXEMVKPEB-RHSMWYFYSA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001205202330 812907230 /nfs/dbraw/zinc/90/72/30/812907230.db2.gz QIGJOZQRSKANLP-GDBMZVCRSA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001205202330 812907232 /nfs/dbraw/zinc/90/72/32/812907232.db2.gz QIGJOZQRSKANLP-GDBMZVCRSA-N 2 2 276.424 3.012 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC001205288877 812933302 /nfs/dbraw/zinc/93/33/02/812933302.db2.gz PGDCZLOWHPXKQP-GFCCVEGCSA-N 2 2 258.818 3.105 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205288877 812933303 /nfs/dbraw/zinc/93/33/03/812933303.db2.gz PGDCZLOWHPXKQP-GFCCVEGCSA-N 2 2 258.818 3.105 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc(C)c1OC(C)C ZINC001205340485 812962957 /nfs/dbraw/zinc/96/29/57/812962957.db2.gz UMFCOPRUQDSODC-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc(C)c1OC(C)C ZINC001205340485 812962959 /nfs/dbraw/zinc/96/29/59/812962959.db2.gz UMFCOPRUQDSODC-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001205856894 813110143 /nfs/dbraw/zinc/11/01/43/813110143.db2.gz ZGGQKJJSNQHTGF-RHSMWYFYSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001205856894 813110145 /nfs/dbraw/zinc/11/01/45/813110145.db2.gz ZGGQKJJSNQHTGF-RHSMWYFYSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901195 813122319 /nfs/dbraw/zinc/12/23/19/813122319.db2.gz BSLLKVMKXOPYKK-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901195 813122321 /nfs/dbraw/zinc/12/23/21/813122321.db2.gz BSLLKVMKXOPYKK-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901197 813122640 /nfs/dbraw/zinc/12/26/40/813122640.db2.gz BSLLKVMKXOPYKK-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901197 813122644 /nfs/dbraw/zinc/12/26/44/813122644.db2.gz BSLLKVMKXOPYKK-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205923027 813134124 /nfs/dbraw/zinc/13/41/24/813134124.db2.gz GVAPIRIGUVIPJZ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205923027 813134126 /nfs/dbraw/zinc/13/41/26/813134126.db2.gz GVAPIRIGUVIPJZ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1[NH3+] ZINC001206043371 813178152 /nfs/dbraw/zinc/17/81/52/813178152.db2.gz AQLAFVRDRQGUFV-JLTOFOAXSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1[NH3+] ZINC001206043371 813178157 /nfs/dbraw/zinc/17/81/57/813178157.db2.gz AQLAFVRDRQGUFV-JLTOFOAXSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001206262698 813262226 /nfs/dbraw/zinc/26/22/26/813262226.db2.gz FBWXWMQKGJLCOQ-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001206262698 813262229 /nfs/dbraw/zinc/26/22/29/813262229.db2.gz FBWXWMQKGJLCOQ-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1 ZINC001206342761 813295857 /nfs/dbraw/zinc/29/58/57/813295857.db2.gz BNZWJGBXBWLAJK-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(C)c1 ZINC001206342761 813295864 /nfs/dbraw/zinc/29/58/64/813295864.db2.gz BNZWJGBXBWLAJK-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001206351308 813299625 /nfs/dbraw/zinc/29/96/25/813299625.db2.gz ANXTXFZXCVYESI-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001206351308 813299628 /nfs/dbraw/zinc/29/96/28/813299628.db2.gz ANXTXFZXCVYESI-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206379179 813308612 /nfs/dbraw/zinc/30/86/12/813308612.db2.gz IVMWIUBVGWDODY-MRXNPFEDSA-N 2 2 296.455 3.370 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206379179 813308619 /nfs/dbraw/zinc/30/86/19/813308619.db2.gz IVMWIUBVGWDODY-MRXNPFEDSA-N 2 2 296.455 3.370 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+](Cc2ccccc2)C1 ZINC001206689353 813399223 /nfs/dbraw/zinc/39/92/23/813399223.db2.gz WRDBPLFBZMPLMD-APWZRJJASA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+](Cc2ccccc2)C1 ZINC001206689353 813399235 /nfs/dbraw/zinc/39/92/35/813399235.db2.gz WRDBPLFBZMPLMD-APWZRJJASA-N 2 2 298.430 3.322 20 0 CGADLP Cc1ncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001207063840 813476169 /nfs/dbraw/zinc/47/61/69/813476169.db2.gz FLNRGUNTGNAJEJ-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001207063840 813476175 /nfs/dbraw/zinc/47/61/75/813476175.db2.gz FLNRGUNTGNAJEJ-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP CC[N@H+](CC[C@H](C)CCCC(C)(C)O)CCn1cc[nH+]c1 ZINC001207683368 813636232 /nfs/dbraw/zinc/63/62/32/813636232.db2.gz QYJGHCYXYHVECF-MRXNPFEDSA-N 2 2 295.471 3.172 20 0 CGADLP CC[N@@H+](CC[C@H](C)CCCC(C)(C)O)CCn1cc[nH+]c1 ZINC001207683368 813636236 /nfs/dbraw/zinc/63/62/36/813636236.db2.gz QYJGHCYXYHVECF-MRXNPFEDSA-N 2 2 295.471 3.172 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001207823937 813656770 /nfs/dbraw/zinc/65/67/70/813656770.db2.gz NUWIAEHWVGVZOS-QZTJIDSGSA-N 2 2 295.430 3.403 20 0 CGADLP Clc1ccccc1CCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001208873609 813877636 /nfs/dbraw/zinc/87/76/36/813877636.db2.gz HXQLURMANYKATB-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCc1ccccc1Cl)C2 ZINC001208874159 813877890 /nfs/dbraw/zinc/87/78/90/813877890.db2.gz JASYOWQJGCJUGO-NVXWUHKLSA-N 2 2 292.854 3.156 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1ccccc1Cl)C2 ZINC001208874159 813877894 /nfs/dbraw/zinc/87/78/94/813877894.db2.gz JASYOWQJGCJUGO-NVXWUHKLSA-N 2 2 292.854 3.156 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209512560 814068658 /nfs/dbraw/zinc/06/86/58/814068658.db2.gz LLRCMVLTAYCSSZ-UHFFFAOYSA-N 2 2 285.435 3.474 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515780 814071766 /nfs/dbraw/zinc/07/17/66/814071766.db2.gz HSCBVZUWDGHGOV-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515780 814071770 /nfs/dbraw/zinc/07/17/70/814071770.db2.gz HSCBVZUWDGHGOV-UHFFFAOYSA-N 2 2 283.419 3.227 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cc(C)cc(C)[nH+]2)c1F ZINC001216218487 815741026 /nfs/dbraw/zinc/74/10/26/815741026.db2.gz DHRSUFJOKCOGBE-UHFFFAOYSA-N 2 2 259.328 3.301 20 0 CGADLP CCOc1cc[nH+]cc1Nc1cccc(C[NH2+]C)c1F ZINC001216220977 815741611 /nfs/dbraw/zinc/74/16/11/815741611.db2.gz YIQNXFDUONZLFI-UHFFFAOYSA-N 2 2 275.327 3.082 20 0 CGADLP CNc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)cc[nH+]1 ZINC001216331084 815785962 /nfs/dbraw/zinc/78/59/62/815785962.db2.gz KREHZJUSJKTLIC-UHFFFAOYSA-N 2 2 284.750 3.490 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161626 816365543 /nfs/dbraw/zinc/36/55/43/816365543.db2.gz QHQCWRWFORGZBP-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161626 816365550 /nfs/dbraw/zinc/36/55/50/816365550.db2.gz QHQCWRWFORGZBP-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282065 816393259 /nfs/dbraw/zinc/39/32/59/816393259.db2.gz DXNSHIWODUBRAA-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282065 816393268 /nfs/dbraw/zinc/39/32/68/816393268.db2.gz DXNSHIWODUBRAA-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222278234 816393837 /nfs/dbraw/zinc/39/38/37/816393837.db2.gz YNYFKDASUOITQH-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222278234 816393845 /nfs/dbraw/zinc/39/38/45/816393845.db2.gz YNYFKDASUOITQH-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)s1 ZINC001222345518 816414279 /nfs/dbraw/zinc/41/42/79/816414279.db2.gz KXINXWFHYAXGKR-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)s1 ZINC001222345518 816414282 /nfs/dbraw/zinc/41/42/82/816414282.db2.gz KXINXWFHYAXGKR-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP c1csc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)c1 ZINC001222380290 816425062 /nfs/dbraw/zinc/42/50/62/816425062.db2.gz YSLAGULFUOCAMZ-UHFFFAOYSA-N 2 2 284.428 3.210 20 0 CGADLP Cn1ccc2cc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222390180 816428901 /nfs/dbraw/zinc/42/89/01/816428901.db2.gz MEGXANXQEQLOON-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2cc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222390180 816428906 /nfs/dbraw/zinc/42/89/06/816428906.db2.gz MEGXANXQEQLOON-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222420541 816439653 /nfs/dbraw/zinc/43/96/53/816439653.db2.gz DVYRDVFRKLFFDA-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222420541 816439656 /nfs/dbraw/zinc/43/96/56/816439656.db2.gz DVYRDVFRKLFFDA-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226785395 817463705 /nfs/dbraw/zinc/46/37/05/817463705.db2.gz RRJCBCARHSSFHG-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP CC(C)(C)c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC001232218084 818283174 /nfs/dbraw/zinc/28/31/74/818283174.db2.gz UDWBQWIHFNTYDL-UHFFFAOYSA-N 2 2 298.434 3.413 20 0 CGADLP COc1cc(C[NH+]2CCC3(CC3)CC2)ccc1-n1cc[nH+]c1 ZINC001234044716 818765982 /nfs/dbraw/zinc/76/59/82/818765982.db2.gz ZVJATYRTSHWCIB-UHFFFAOYSA-N 2 2 297.402 3.257 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]2Cc2[nH]c(C)[nH+]c2C)c1 ZINC001234646029 818901530 /nfs/dbraw/zinc/90/15/30/818901530.db2.gz YQRDTFNMFGCNJT-KRWDZBQOSA-N 2 2 285.391 3.372 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]2Cc2[nH]c(C)[nH+]c2C)c1 ZINC001234646029 818901535 /nfs/dbraw/zinc/90/15/35/818901535.db2.gz YQRDTFNMFGCNJT-KRWDZBQOSA-N 2 2 285.391 3.372 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1-c1ccc(F)cc1 ZINC001235004973 818976204 /nfs/dbraw/zinc/97/62/04/818976204.db2.gz CZTXHOROVRVUCC-UHFFFAOYSA-N 2 2 296.389 3.416 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235047156 818990001 /nfs/dbraw/zinc/99/00/01/818990001.db2.gz SLAYLCWLLLNWGW-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235047156 818990008 /nfs/dbraw/zinc/99/00/08/818990008.db2.gz SLAYLCWLLLNWGW-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235073744 818994602 /nfs/dbraw/zinc/99/46/02/818994602.db2.gz VTIBLAHPQYGTCT-GDIGMMSISA-N 2 2 280.415 3.380 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235073744 818994610 /nfs/dbraw/zinc/99/46/10/818994610.db2.gz VTIBLAHPQYGTCT-GDIGMMSISA-N 2 2 280.415 3.380 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111058 819005622 /nfs/dbraw/zinc/00/56/22/819005622.db2.gz NXNJPFNAYIXYHN-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111058 819005628 /nfs/dbraw/zinc/00/56/28/819005628.db2.gz NXNJPFNAYIXYHN-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111055 819005890 /nfs/dbraw/zinc/00/58/90/819005890.db2.gz NXNJPFNAYIXYHN-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111055 819005894 /nfs/dbraw/zinc/00/58/94/819005894.db2.gz NXNJPFNAYIXYHN-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP Fc1cccc2c(C[N@@H+]3CCC[C@]34CC[NH2+]C4)cccc12 ZINC001235115387 819008281 /nfs/dbraw/zinc/00/82/81/819008281.db2.gz QZPXIGFHEXBQAQ-GOSISDBHSA-N 2 2 284.378 3.307 20 0 CGADLP Fc1cccc2c(C[N@H+]3CCC[C@]34CC[NH2+]C4)cccc12 ZINC001235115387 819008285 /nfs/dbraw/zinc/00/82/85/819008285.db2.gz QZPXIGFHEXBQAQ-GOSISDBHSA-N 2 2 284.378 3.307 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1OC(C)C ZINC001235248894 819048575 /nfs/dbraw/zinc/04/85/75/819048575.db2.gz ZUXSIOYJONNSIB-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1OC(C)C ZINC001235248894 819048577 /nfs/dbraw/zinc/04/85/77/819048577.db2.gz ZUXSIOYJONNSIB-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP c1csc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235254359 819052429 /nfs/dbraw/zinc/05/24/29/819052429.db2.gz BGGGYJRPWICPSS-HOCLYGCPSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235254359 819052432 /nfs/dbraw/zinc/05/24/32/819052432.db2.gz BGGGYJRPWICPSS-HOCLYGCPSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235401008 819086157 /nfs/dbraw/zinc/08/61/57/819086157.db2.gz FPGAMQKDWDBOBT-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235401008 819086162 /nfs/dbraw/zinc/08/61/62/819086162.db2.gz FPGAMQKDWDBOBT-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP COc1ccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235674863 819134939 /nfs/dbraw/zinc/13/49/39/819134939.db2.gz RPBUBUXYBYAMCT-KRWDZBQOSA-N 2 2 288.435 3.017 20 0 CGADLP COc1ccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235674864 819135721 /nfs/dbraw/zinc/13/57/21/819135721.db2.gz RPBUBUXYBYAMCT-QGZVFWFLSA-N 2 2 288.435 3.017 20 0 CGADLP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001235677432 819138439 /nfs/dbraw/zinc/13/84/39/819138439.db2.gz DSUGYCOSUYBFOS-UHFFFAOYSA-N 2 2 288.769 3.050 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235899916 819209423 /nfs/dbraw/zinc/20/94/23/819209423.db2.gz BLPADCJDOHXRHR-FZMZJTMJSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235899916 819209430 /nfs/dbraw/zinc/20/94/30/819209430.db2.gz BLPADCJDOHXRHR-FZMZJTMJSA-N 2 2 286.341 3.325 20 0 CGADLP Oc1cc(Cl)cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001235903808 819212902 /nfs/dbraw/zinc/21/29/02/819212902.db2.gz HNUCHKDUNYAFFP-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)s1 ZINC001235903717 819213109 /nfs/dbraw/zinc/21/31/09/819213109.db2.gz ITTYZGOMJJLBEC-QWHCGFSZSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)s1 ZINC001235903717 819213112 /nfs/dbraw/zinc/21/31/12/819213112.db2.gz ITTYZGOMJJLBEC-QWHCGFSZSA-N 2 2 266.454 3.402 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949751 819240193 /nfs/dbraw/zinc/24/01/93/819240193.db2.gz HFAXPIYHTWORCL-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949751 819240198 /nfs/dbraw/zinc/24/01/98/819240198.db2.gz HFAXPIYHTWORCL-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990628 819262479 /nfs/dbraw/zinc/26/24/79/819262479.db2.gz KLLBZXQNRVGTMD-YOEHRIQHSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990628 819262483 /nfs/dbraw/zinc/26/24/83/819262483.db2.gz KLLBZXQNRVGTMD-YOEHRIQHSA-N 2 2 284.428 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052595 819288419 /nfs/dbraw/zinc/28/84/19/819288419.db2.gz SWZROTXNUAFUGO-CXAGYDPISA-N 2 2 258.409 3.123 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052595 819288424 /nfs/dbraw/zinc/28/84/24/819288424.db2.gz SWZROTXNUAFUGO-CXAGYDPISA-N 2 2 258.409 3.123 20 0 CGADLP c1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)ccc2c1 ZINC001236059785 819292840 /nfs/dbraw/zinc/29/28/40/819292840.db2.gz KXXJHDRYCUZESR-YJBOKZPZSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)[NH2+]C4)ccc2c1 ZINC001236059785 819292844 /nfs/dbraw/zinc/29/28/44/819292844.db2.gz KXXJHDRYCUZESR-YJBOKZPZSA-N 2 2 266.388 3.024 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1sc2scc(C)c2c1C ZINC001236142851 819343607 /nfs/dbraw/zinc/34/36/07/819343607.db2.gz BLYICWNDZSOOIB-UHFFFAOYSA-N 2 2 268.451 3.360 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1sc2scc(C)c2c1C ZINC001236142851 819343609 /nfs/dbraw/zinc/34/36/09/819343609.db2.gz BLYICWNDZSOOIB-UHFFFAOYSA-N 2 2 268.451 3.360 20 0 CGADLP COc1ccc2cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236200024 819365431 /nfs/dbraw/zinc/36/54/31/819365431.db2.gz HOZQXPWJBVJECW-IBGZPJMESA-N 2 2 298.430 3.422 20 0 CGADLP COc1ccc2cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236200024 819365437 /nfs/dbraw/zinc/36/54/37/819365437.db2.gz HOZQXPWJBVJECW-IBGZPJMESA-N 2 2 298.430 3.422 20 0 CGADLP CC(C)c1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206705 819369067 /nfs/dbraw/zinc/36/90/67/819369067.db2.gz LBIZPABVNSZGDS-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206705 819369071 /nfs/dbraw/zinc/36/90/71/819369071.db2.gz LBIZPABVNSZGDS-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207582 819370611 /nfs/dbraw/zinc/37/06/11/819370611.db2.gz RCFPBWDMDSWKGG-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207582 819370613 /nfs/dbraw/zinc/37/06/13/819370613.db2.gz RCFPBWDMDSWKGG-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410348 819457868 /nfs/dbraw/zinc/45/78/68/819457868.db2.gz YZSZORFQENQZSX-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1cc(F)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410348 819457872 /nfs/dbraw/zinc/45/78/72/819457872.db2.gz YZSZORFQENQZSX-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP Cc1cn2cc(-c3cccc(C[NH+](C)C)c3)ccc2[nH+]1 ZINC001236418910 819465036 /nfs/dbraw/zinc/46/50/36/819465036.db2.gz HNQRIFSLODNDOE-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001236420816 819467347 /nfs/dbraw/zinc/46/73/47/819467347.db2.gz OKHFCIGJDINWJU-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001236420816 819467351 /nfs/dbraw/zinc/46/73/51/819467351.db2.gz OKHFCIGJDINWJU-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001236421470 819467945 /nfs/dbraw/zinc/46/79/45/819467945.db2.gz HHRGRRYVHYQKLG-HXUWFJFHSA-N 2 2 294.442 3.461 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001236421470 819467946 /nfs/dbraw/zinc/46/79/46/819467946.db2.gz HHRGRRYVHYQKLG-HXUWFJFHSA-N 2 2 294.442 3.461 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236421850 819468049 /nfs/dbraw/zinc/46/80/49/819468049.db2.gz QLQMYMNIVSAWQZ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236421850 819468052 /nfs/dbraw/zinc/46/80/52/819468052.db2.gz QLQMYMNIVSAWQZ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Cl ZINC001236526337 819518501 /nfs/dbraw/zinc/51/85/01/819518501.db2.gz FFQAKTAOBKTUOW-HNNXBMFYSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Cl ZINC001236526337 819518507 /nfs/dbraw/zinc/51/85/07/819518507.db2.gz FFQAKTAOBKTUOW-HNNXBMFYSA-N 2 2 280.843 3.475 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529579 819521480 /nfs/dbraw/zinc/52/14/80/819521480.db2.gz SBFYGMSQUDMOKZ-QGZVFWFLSA-N 2 2 280.415 3.475 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529579 819521487 /nfs/dbraw/zinc/52/14/87/819521487.db2.gz SBFYGMSQUDMOKZ-QGZVFWFLSA-N 2 2 280.415 3.475 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001236590459 819547655 /nfs/dbraw/zinc/54/76/55/819547655.db2.gz AMKWFMQKNPEMIS-MRXNPFEDSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001236590459 819547658 /nfs/dbraw/zinc/54/76/58/819547658.db2.gz AMKWFMQKNPEMIS-MRXNPFEDSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1F ZINC001236600200 819548683 /nfs/dbraw/zinc/54/86/83/819548683.db2.gz YWHHASVWVIVXMN-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1F ZINC001236600200 819548687 /nfs/dbraw/zinc/54/86/87/819548687.db2.gz YWHHASVWVIVXMN-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP C[C@@H]1CC(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C[C@@H](C)O1 ZINC001236648332 819560146 /nfs/dbraw/zinc/56/01/46/819560146.db2.gz PSHUFHBZRGRZKE-IIDMSEBBSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CC(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C[C@@H](C)O1 ZINC001236648332 819560149 /nfs/dbraw/zinc/56/01/49/819560149.db2.gz PSHUFHBZRGRZKE-IIDMSEBBSA-N 2 2 294.483 3.187 20 0 CGADLP CCC[N@@H+](Cc1ccsc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842952 819618360 /nfs/dbraw/zinc/61/83/60/819618360.db2.gz IIPIMKFQXMLFLK-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP CCC[N@H+](Cc1ccsc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842952 819618365 /nfs/dbraw/zinc/61/83/65/819618365.db2.gz IIPIMKFQXMLFLK-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC001236871193 819628174 /nfs/dbraw/zinc/62/81/74/819628174.db2.gz YVAILAVLDSYIRH-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC001236871193 819628175 /nfs/dbraw/zinc/62/81/75/819628175.db2.gz YVAILAVLDSYIRH-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC001236884168 819630231 /nfs/dbraw/zinc/63/02/31/819630231.db2.gz LNWFLMXTZJPDEQ-NSHDSACASA-N 2 2 292.370 3.468 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC001236884168 819630235 /nfs/dbraw/zinc/63/02/35/819630235.db2.gz LNWFLMXTZJPDEQ-NSHDSACASA-N 2 2 292.370 3.468 20 0 CGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC2CC(C2)C1 ZINC001236920076 819637175 /nfs/dbraw/zinc/63/71/75/819637175.db2.gz SCOXZTJHTUQORB-UHFFFAOYSA-N 2 2 287.794 3.368 20 0 CGADLP S=C1C=COC1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001237183018 819689364 /nfs/dbraw/zinc/68/93/64/819689364.db2.gz MXGLMDWFVSERNH-UHFFFAOYSA-N 2 2 280.437 3.019 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OC(C)C ZINC001237716100 819818887 /nfs/dbraw/zinc/81/88/87/819818887.db2.gz HDMJPCCKPUYEHF-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccoc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001237872633 819861306 /nfs/dbraw/zinc/86/13/06/819861306.db2.gz XFLXMKRVKRCSLB-OAHLLOKOSA-N 2 2 292.423 3.129 20 0 CGADLP COc1ccoc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001237872633 819861315 /nfs/dbraw/zinc/86/13/15/819861315.db2.gz XFLXMKRVKRCSLB-OAHLLOKOSA-N 2 2 292.423 3.129 20 0 CGADLP CC(C)n1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239078415 820214961 /nfs/dbraw/zinc/21/49/61/820214961.db2.gz OLJVLXBTYSKVGK-SFHVURJKSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239078415 820214968 /nfs/dbraw/zinc/21/49/68/820214968.db2.gz OLJVLXBTYSKVGK-SFHVURJKSA-N 2 2 283.419 3.269 20 0 CGADLP [NH3+]Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001243661960 823478776 /nfs/dbraw/zinc/47/87/76/823478776.db2.gz HLAQHUQDGGQEPJ-UHFFFAOYSA-N 2 2 281.334 3.196 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1 ZINC001239585701 820434438 /nfs/dbraw/zinc/43/44/38/820434438.db2.gz ISYLILHNKZYQDM-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1 ZINC001239585701 820434442 /nfs/dbraw/zinc/43/44/42/820434442.db2.gz ISYLILHNKZYQDM-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP COc1ccc(C)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239768752 820589589 /nfs/dbraw/zinc/58/95/89/820589589.db2.gz RJJWYECDJXDKAH-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239768752 820589590 /nfs/dbraw/zinc/58/95/90/820589590.db2.gz RJJWYECDJXDKAH-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239822227 820637671 /nfs/dbraw/zinc/63/76/71/820637671.db2.gz BBFAIXMBEGGQNO-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239822227 820637677 /nfs/dbraw/zinc/63/76/77/820637677.db2.gz BBFAIXMBEGGQNO-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP COCc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239937603 820717995 /nfs/dbraw/zinc/71/79/95/820717995.db2.gz XZNLUYAEWBQQHW-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239937603 820717998 /nfs/dbraw/zinc/71/79/98/820717998.db2.gz XZNLUYAEWBQQHW-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP CC[N@@H+]1CCc2cc(-c3ccc4[nH+]ccn4c3)ccc2C1 ZINC001240217636 820890088 /nfs/dbraw/zinc/89/00/88/820890088.db2.gz KVPPCVZYNDRBOJ-UHFFFAOYSA-N 2 2 277.371 3.379 20 0 CGADLP CC[N@H+]1CCc2cc(-c3ccc4[nH+]ccn4c3)ccc2C1 ZINC001240217636 820890096 /nfs/dbraw/zinc/89/00/96/820890096.db2.gz KVPPCVZYNDRBOJ-UHFFFAOYSA-N 2 2 277.371 3.379 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC001240711947 821266756 /nfs/dbraw/zinc/26/67/56/821266756.db2.gz IJHCBJDNQRRXKM-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC001240711947 821266764 /nfs/dbraw/zinc/26/67/64/821266764.db2.gz IJHCBJDNQRRXKM-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP CCc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241549267 821939691 /nfs/dbraw/zinc/93/96/91/821939691.db2.gz ILZFCWURNPBXIJ-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241549267 821939694 /nfs/dbraw/zinc/93/96/94/821939694.db2.gz ILZFCWURNPBXIJ-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP Cc1cscc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241731805 822109766 /nfs/dbraw/zinc/10/97/66/822109766.db2.gz CYHVXRWAIUPUCS-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cscc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001241731805 822109770 /nfs/dbraw/zinc/10/97/70/822109770.db2.gz CYHVXRWAIUPUCS-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cc(-c2ccc3[nH]cc(C[NH3+])c3c2)cc(C)[nH+]1 ZINC001241995391 822264881 /nfs/dbraw/zinc/26/48/81/822264881.db2.gz GUIGQUMUBNSBQL-UHFFFAOYSA-N 2 2 251.333 3.305 20 0 CGADLP Cc1cc(-c2ccc([C@H](C)N3CC[NH2+]CC3)cc2)cc(C)[nH+]1 ZINC001241996685 822266553 /nfs/dbraw/zinc/26/65/53/822266553.db2.gz YSFBHGGKZPKTIH-INIZCTEOSA-N 2 2 295.430 3.332 20 0 CGADLP COC(=[NH2+])c1cccc(-c2ccc(OCC[NH+](C)C)cc2)c1 ZINC001242152133 822896341 /nfs/dbraw/zinc/89/63/41/822896341.db2.gz FZZPNLSDPICBRA-UHFFFAOYSA-N 2 2 298.386 3.266 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088548 936397542 /nfs/dbraw/zinc/39/75/42/936397542.db2.gz RFEGOXOZIBZMDJ-GJZGRUSLSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088548 936397546 /nfs/dbraw/zinc/39/75/46/936397546.db2.gz RFEGOXOZIBZMDJ-GJZGRUSLSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000163457354 928262262 /nfs/dbraw/zinc/26/22/62/928262262.db2.gz OPPJDOVDLKMJEG-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000163457354 928262275 /nfs/dbraw/zinc/26/22/75/928262275.db2.gz OPPJDOVDLKMJEG-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP CCC[C@@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC001461004283 937559106 /nfs/dbraw/zinc/55/91/06/937559106.db2.gz QMSBMQUBIUOWKF-KRWDZBQOSA-N 2 2 260.425 3.256 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC001462386478 937637371 /nfs/dbraw/zinc/63/73/71/937637371.db2.gz KMSVZMNQYNJTSP-LTIDMASMSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC001462386478 937637373 /nfs/dbraw/zinc/63/73/73/937637373.db2.gz KMSVZMNQYNJTSP-LTIDMASMSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001308053210 933040596 /nfs/dbraw/zinc/04/05/96/933040596.db2.gz QYVKPSUEOOZPDZ-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001308053210 933040599 /nfs/dbraw/zinc/04/05/99/933040599.db2.gz QYVKPSUEOOZPDZ-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001308053210 933040606 /nfs/dbraw/zinc/04/06/06/933040606.db2.gz QYVKPSUEOOZPDZ-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001308053210 933040610 /nfs/dbraw/zinc/04/06/10/933040610.db2.gz QYVKPSUEOOZPDZ-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H](C)CCc1ccccc1)C1CC1 ZINC001308237865 933078351 /nfs/dbraw/zinc/07/83/51/933078351.db2.gz ODHROVAAVRMPHI-MRXNPFEDSA-N 2 2 274.452 3.329 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H](C)CCc1ccccc1)C1CC1 ZINC001308237865 933078354 /nfs/dbraw/zinc/07/83/54/933078354.db2.gz ODHROVAAVRMPHI-MRXNPFEDSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC001462654137 937657394 /nfs/dbraw/zinc/65/73/94/937657394.db2.gz MTNWVRAPYOGXDK-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC001462654137 937657395 /nfs/dbraw/zinc/65/73/95/937657395.db2.gz MTNWVRAPYOGXDK-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001308475911 933116064 /nfs/dbraw/zinc/11/60/64/933116064.db2.gz XOZFLKQMHIRBAQ-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001308475911 933116067 /nfs/dbraw/zinc/11/60/67/933116067.db2.gz XOZFLKQMHIRBAQ-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP C[C@H]1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C[C@H](C)C1 ZINC001308485058 933118898 /nfs/dbraw/zinc/11/88/98/933118898.db2.gz ZJHMKOMAVNKBGS-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C[C@H](C)C1 ZINC001308485058 933118900 /nfs/dbraw/zinc/11/89/00/933118900.db2.gz ZJHMKOMAVNKBGS-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864202 933193246 /nfs/dbraw/zinc/19/32/46/933193246.db2.gz LZODYRRTQBBDJP-QCSYZSNVSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864202 933193248 /nfs/dbraw/zinc/19/32/48/933193248.db2.gz LZODYRRTQBBDJP-QCSYZSNVSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975249 933217339 /nfs/dbraw/zinc/21/73/39/933217339.db2.gz SDKQBUBVVGIGAU-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975249 933217343 /nfs/dbraw/zinc/21/73/43/933217343.db2.gz SDKQBUBVVGIGAU-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1ccc(CC[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1C ZINC001308974202 933217509 /nfs/dbraw/zinc/21/75/09/933217509.db2.gz FFIDVRQKJVOEJY-UHFFFAOYSA-N 2 2 274.452 3.167 20 0 CGADLP Cc1ccc(CC[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1C ZINC001308974202 933217515 /nfs/dbraw/zinc/21/75/15/933217515.db2.gz FFIDVRQKJVOEJY-UHFFFAOYSA-N 2 2 274.452 3.167 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001325167245 934891512 /nfs/dbraw/zinc/89/15/12/934891512.db2.gz ZOZXRWHOLLBCJT-ZIAGYGMSSA-N 2 2 298.390 3.196 20 0 CGADLP CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713156 937818765 /nfs/dbraw/zinc/81/87/65/937818765.db2.gz RXEPOQGJNBCKCN-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713156 937818767 /nfs/dbraw/zinc/81/87/67/937818767.db2.gz RXEPOQGJNBCKCN-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1N1CC[NH+](C)CC1 ZINC001327878576 935094035 /nfs/dbraw/zinc/09/40/35/935094035.db2.gz NCFWAKBJOMAYKS-BPQIPLTHSA-N 2 2 299.462 3.347 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001331207811 935358885 /nfs/dbraw/zinc/35/88/85/935358885.db2.gz JMUITSSPQGXNMO-KRWDZBQOSA-N 2 2 285.366 3.347 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC001334076756 936083134 /nfs/dbraw/zinc/08/31/34/936083134.db2.gz OKAXKKHSBMBHCW-MRXNPFEDSA-N 2 2 269.392 3.363 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473895478 937828436 /nfs/dbraw/zinc/82/84/36/937828436.db2.gz LQYRHTXIFINUOY-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC001474232010 937845219 /nfs/dbraw/zinc/84/52/19/937845219.db2.gz NZMMYCIQMPQITC-AWEZNQCLSA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC001474232010 937845220 /nfs/dbraw/zinc/84/52/20/937845220.db2.gz NZMMYCIQMPQITC-AWEZNQCLSA-N 2 2 296.499 3.026 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317518 937851542 /nfs/dbraw/zinc/85/15/42/937851542.db2.gz LWLIEYPZJLBYEO-CHWSQXEVSA-N 2 2 285.382 3.188 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317518 937851544 /nfs/dbraw/zinc/85/15/44/937851544.db2.gz LWLIEYPZJLBYEO-CHWSQXEVSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317518 937851546 /nfs/dbraw/zinc/85/15/46/937851546.db2.gz LWLIEYPZJLBYEO-CHWSQXEVSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317518 937851548 /nfs/dbraw/zinc/85/15/48/937851548.db2.gz LWLIEYPZJLBYEO-CHWSQXEVSA-N 2 2 285.382 3.188 20 0 CGADLP CCc1ccc(N2CCC(CCC[NH+](C)C)CC2)[nH+]c1 ZINC001515593517 938006834 /nfs/dbraw/zinc/00/68/34/938006834.db2.gz CKLFSHBYNCRGIY-UHFFFAOYSA-N 2 2 275.440 3.202 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001548835121 938152159 /nfs/dbraw/zinc/15/21/59/938152159.db2.gz ILPMVQCVVVZFFR-BRWVUGGUSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001548835121 938152160 /nfs/dbraw/zinc/15/21/60/938152160.db2.gz ILPMVQCVVVZFFR-BRWVUGGUSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2C[C@@H]2C2CC2)C1 ZINC001550241666 938164710 /nfs/dbraw/zinc/16/47/10/938164710.db2.gz AALVFONPQHPABN-BZUAXINKSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@@H]2C2CC2)C1 ZINC001550241666 938164711 /nfs/dbraw/zinc/16/47/11/938164711.db2.gz AALVFONPQHPABN-BZUAXINKSA-N 2 2 273.424 3.036 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC001550539432 938167665 /nfs/dbraw/zinc/16/76/65/938167665.db2.gz UVVVYSMMSRMRJX-HOTGVXAUSA-N 2 2 269.392 3.452 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377183 938180351 /nfs/dbraw/zinc/18/03/51/938180351.db2.gz FPXTZKLYSYZFJH-QXSJWSMHSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc(F)cc1 ZINC001551378135 938180776 /nfs/dbraw/zinc/18/07/76/938180776.db2.gz MRIJTKCDRZEWAY-JECHBYEQSA-N 2 2 270.351 3.101 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001553026209 938196008 /nfs/dbraw/zinc/19/60/08/938196008.db2.gz VFFQZSIVLFLCCC-RAIGVLPGSA-N 2 2 284.856 3.268 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc([C@@H]4C[C@@H]4[NH3+])cc3)n2c1 ZINC001553857974 938201079 /nfs/dbraw/zinc/20/10/79/938201079.db2.gz RZUQNZSGAZGZPQ-IRXDYDNUSA-N 2 2 292.386 3.069 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC001560262803 938249849 /nfs/dbraw/zinc/24/98/49/938249849.db2.gz PFSRCXKHSJTISX-KEGWNNHHSA-N 2 2 283.419 3.500 20 0 CGADLP CSc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC001560330010 938253506 /nfs/dbraw/zinc/25/35/06/938253506.db2.gz AJPTWIKOULVRMS-CYBMUJFWSA-N 2 2 284.469 3.458 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1CCC(C)(C)CC1 ZINC001560360500 938255173 /nfs/dbraw/zinc/25/51/73/938255173.db2.gz PBQYQIFVPWKBMO-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1CCC(C)(C)CC1 ZINC001560360500 938255174 /nfs/dbraw/zinc/25/51/74/938255174.db2.gz PBQYQIFVPWKBMO-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[N@H+](Cc1cncc(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238192046 960412055 /nfs/dbraw/zinc/41/20/55/960412055.db2.gz BEONQBICRROEOH-UHFFFAOYSA-N 2 2 287.451 3.264 20 0 CGADLP CC(C)[N@@H+](Cc1cncc(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238192046 960412062 /nfs/dbraw/zinc/41/20/62/960412062.db2.gz BEONQBICRROEOH-UHFFFAOYSA-N 2 2 287.451 3.264 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC001577230563 962516764 /nfs/dbraw/zinc/51/67/64/962516764.db2.gz PZUFKDUBKJUVNL-UHFFFAOYSA-N 2 2 293.798 3.185 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001578194329 962578629 /nfs/dbraw/zinc/57/86/29/962578629.db2.gz MPHIAIVJJUUIGS-OLZOCXBDSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001578194329 962578641 /nfs/dbraw/zinc/57/86/41/962578641.db2.gz MPHIAIVJJUUIGS-OLZOCXBDSA-N 2 2 296.842 3.155 20 0 CGADLP COc1ccccc1C1([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC001579302038 962619203 /nfs/dbraw/zinc/61/92/03/962619203.db2.gz GIWFIGPJOHIFDY-AWEZNQCLSA-N 2 2 290.451 3.428 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc2cccnc12 ZINC001579600909 962635835 /nfs/dbraw/zinc/63/58/35/962635835.db2.gz DNDCXEANKJAFKJ-GOSISDBHSA-N 2 2 291.398 3.333 20 0 CGADLP Cc1ccc([C@H]2CSCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC001579677757 962654252 /nfs/dbraw/zinc/65/42/52/962654252.db2.gz BQAOJUJYLWZARH-QGZVFWFLSA-N 2 2 290.476 3.227 20 0 CGADLP Cc1ccc([C@H]2CSCC[N@H+]2CCC[NH2+]C2CC2)cc1 ZINC001579677757 962654255 /nfs/dbraw/zinc/65/42/55/962654255.db2.gz BQAOJUJYLWZARH-QGZVFWFLSA-N 2 2 290.476 3.227 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001579795397 962669730 /nfs/dbraw/zinc/66/97/30/962669730.db2.gz QPVYNNSPUCHTRN-JSGCOSHPSA-N 2 2 286.341 3.412 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001579795397 962669745 /nfs/dbraw/zinc/66/97/45/962669745.db2.gz QPVYNNSPUCHTRN-JSGCOSHPSA-N 2 2 286.341 3.412 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc3occc3c2)C1 ZINC001580183790 962693707 /nfs/dbraw/zinc/69/37/07/962693707.db2.gz QCEADFFZRCKBDB-OAHLLOKOSA-N 2 2 258.365 3.136 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001580183790 962693718 /nfs/dbraw/zinc/69/37/18/962693718.db2.gz QCEADFFZRCKBDB-OAHLLOKOSA-N 2 2 258.365 3.136 20 0 CGADLP [NH3+]Cc1cccc(C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC001580342919 962715698 /nfs/dbraw/zinc/71/56/98/962715698.db2.gz OJYMSNDXWFASKS-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP [NH3+]Cc1cccc(C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC001580342919 962715712 /nfs/dbraw/zinc/71/57/12/962715712.db2.gz OJYMSNDXWFASKS-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(C)(C)C3)c[nH+]c12 ZINC000350628814 219040412 /nfs/dbraw/zinc/04/04/12/219040412.db2.gz JZIWQWGGCTYIGH-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCC[N@@H+]1C ZINC000337393658 214050666 /nfs/dbraw/zinc/05/06/66/214050666.db2.gz BGENIYQBPKDSGX-JOCBIADPSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCC[N@H+]1C ZINC000337393658 214050667 /nfs/dbraw/zinc/05/06/67/214050667.db2.gz BGENIYQBPKDSGX-JOCBIADPSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621377767 349513253 /nfs/dbraw/zinc/51/32/53/349513253.db2.gz FVCBBNIAMCFJFZ-KBMXLJTQSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621377767 349513258 /nfs/dbraw/zinc/51/32/58/349513258.db2.gz FVCBBNIAMCFJFZ-KBMXLJTQSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000337512200 214131464 /nfs/dbraw/zinc/13/14/64/214131464.db2.gz JQTAMYJNVRFGMQ-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000337512200 214131467 /nfs/dbraw/zinc/13/14/67/214131467.db2.gz JQTAMYJNVRFGMQ-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)c[nH+]1 ZINC000124781512 187154398 /nfs/dbraw/zinc/15/43/98/187154398.db2.gz XCRDPXAIAMBCDJ-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000125074183 187168124 /nfs/dbraw/zinc/16/81/24/187168124.db2.gz YMQSAMDRRXTBGL-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000125083675 187169016 /nfs/dbraw/zinc/16/90/16/187169016.db2.gz CBTQNZNKNZEBQS-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337641352 214192479 /nfs/dbraw/zinc/19/24/79/214192479.db2.gz YFQXOLZIJKVISX-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000651650061 398262308 /nfs/dbraw/zinc/26/23/08/398262308.db2.gz AXPIHBKSWAKWHF-HNAYVOBHSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000651650061 398262310 /nfs/dbraw/zinc/26/23/10/398262310.db2.gz AXPIHBKSWAKWHF-HNAYVOBHSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651708633 398272591 /nfs/dbraw/zinc/27/25/91/398272591.db2.gz XFWWHHDOFIHSES-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651708633 398272594 /nfs/dbraw/zinc/27/25/94/398272594.db2.gz XFWWHHDOFIHSES-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708995 398272745 /nfs/dbraw/zinc/27/27/45/398272745.db2.gz IALANPOBEXBWMF-RISCZKNCSA-N 2 2 296.817 3.398 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708995 398272749 /nfs/dbraw/zinc/27/27/49/398272749.db2.gz IALANPOBEXBWMF-RISCZKNCSA-N 2 2 296.817 3.398 20 0 CGADLP C[C@H]1CCCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797180 398289337 /nfs/dbraw/zinc/28/93/37/398289337.db2.gz BYIZEZBYIWSVIT-DZGCQCFKSA-N 2 2 261.413 3.278 20 0 CGADLP CCC1(CC)CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000651828497 398295184 /nfs/dbraw/zinc/29/51/84/398295184.db2.gz MRIKGVPDAFQMME-UHFFFAOYSA-N 2 2 263.429 3.301 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350747959 219056476 /nfs/dbraw/zinc/05/64/76/219056476.db2.gz OZBSHKRFVXYPNW-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000350747959 219056478 /nfs/dbraw/zinc/05/64/78/219056478.db2.gz OZBSHKRFVXYPNW-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350747959 219056479 /nfs/dbraw/zinc/05/64/79/219056479.db2.gz OZBSHKRFVXYPNW-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350747959 219056481 /nfs/dbraw/zinc/05/64/81/219056481.db2.gz OZBSHKRFVXYPNW-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(O)c1Cl ZINC000651864740 398298308 /nfs/dbraw/zinc/29/83/08/398298308.db2.gz CAVDKKBQIIHYNL-UHFFFAOYSA-N 2 2 284.831 3.113 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1Cl ZINC000651864740 398298310 /nfs/dbraw/zinc/29/83/10/398298310.db2.gz CAVDKKBQIIHYNL-UHFFFAOYSA-N 2 2 284.831 3.113 20 0 CGADLP CC[C@H](F)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782055 529435530 /nfs/dbraw/zinc/43/55/30/529435530.db2.gz UQOHIASATNQKGB-IRXDYDNUSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782055 529435532 /nfs/dbraw/zinc/43/55/32/529435532.db2.gz UQOHIASATNQKGB-IRXDYDNUSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440782055 529435534 /nfs/dbraw/zinc/43/55/34/529435534.db2.gz UQOHIASATNQKGB-IRXDYDNUSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440782055 529435536 /nfs/dbraw/zinc/43/55/36/529435536.db2.gz UQOHIASATNQKGB-IRXDYDNUSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423483415 529568970 /nfs/dbraw/zinc/56/89/70/529568970.db2.gz XTJCGUWBOMNPSW-DGCLKSJQSA-N 2 2 275.421 3.198 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000423485277 529569042 /nfs/dbraw/zinc/56/90/42/529569042.db2.gz ZATBOYVOCFMNAD-RKDXNWHRSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1C ZINC000414067067 529584955 /nfs/dbraw/zinc/58/49/55/529584955.db2.gz IPPGMPDOINKXND-OLMNPRSZSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)s1 ZINC000623089127 349758762 /nfs/dbraw/zinc/75/87/62/349758762.db2.gz WANWCEJNJVTVMP-UHFFFAOYSA-N 2 2 288.407 3.123 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423235233 529620512 /nfs/dbraw/zinc/62/05/12/529620512.db2.gz NABKERVEEGXZOQ-MFKMUULPSA-N 2 2 270.779 3.272 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359086032 529621413 /nfs/dbraw/zinc/62/14/13/529621413.db2.gz UIAOTBRJOLWFJV-ODIFPOPNSA-N 2 2 287.451 3.312 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1C ZINC000414057488 529627569 /nfs/dbraw/zinc/62/75/69/529627569.db2.gz FZBZVZDFTALCSB-JLSDUUJJSA-N 2 2 283.419 3.456 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCCC[NH2+]1 ZINC000423411637 529631127 /nfs/dbraw/zinc/63/11/27/529631127.db2.gz GCUVIZJQBSBHSW-FUHWJXTLSA-N 2 2 287.451 3.055 20 0 CGADLP CCc1cnc(CC[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000428279811 529640580 /nfs/dbraw/zinc/64/05/80/529640580.db2.gz KEBMRBPAUFMNGD-UHFFFAOYSA-N 2 2 289.448 3.174 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423264631 529653990 /nfs/dbraw/zinc/65/39/90/529653990.db2.gz AMLTVZSJRYASSC-KBPBESRZSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000423402721 529656433 /nfs/dbraw/zinc/65/64/33/529656433.db2.gz RTQYSGLSFOKEBE-NZVBXONLSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423373970 529661569 /nfs/dbraw/zinc/66/15/69/529661569.db2.gz WWLOKOUIFSQSRZ-BYCMXARLSA-N 2 2 298.377 3.327 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000437008426 529673160 /nfs/dbraw/zinc/67/31/60/529673160.db2.gz RGZCXTDPIZYXKO-GJZGRUSLSA-N 2 2 273.355 3.078 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000423354346 529673773 /nfs/dbraw/zinc/67/37/73/529673773.db2.gz CTCSMXHVQTWWLV-CQDKDKBSSA-N 2 2 266.816 3.379 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394402 349797537 /nfs/dbraw/zinc/79/75/37/349797537.db2.gz DEUXKZQKIUIDQV-HNNXBMFYSA-N 2 2 299.418 3.304 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394402 349797539 /nfs/dbraw/zinc/79/75/39/349797539.db2.gz DEUXKZQKIUIDQV-HNNXBMFYSA-N 2 2 299.418 3.304 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623410497 349801759 /nfs/dbraw/zinc/80/17/59/349801759.db2.gz QQEGJYSOHZHFLG-AWEZNQCLSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623410497 349801762 /nfs/dbraw/zinc/80/17/62/349801762.db2.gz QQEGJYSOHZHFLG-AWEZNQCLSA-N 2 2 296.842 3.311 20 0 CGADLP CC[C@H](C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000126622999 187251934 /nfs/dbraw/zinc/25/19/34/187251934.db2.gz CYAQIZPIFIYJOK-HNNXBMFYSA-N 2 2 257.381 3.184 20 0 CGADLP CC[C@H](C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000126622999 187251935 /nfs/dbraw/zinc/25/19/35/187251935.db2.gz CYAQIZPIFIYJOK-HNNXBMFYSA-N 2 2 257.381 3.184 20 0 CGADLP COc1ccc2oc(C[NH2+]CCc3cc[nH+]cc3C)cc2c1 ZINC000127952950 187342962 /nfs/dbraw/zinc/34/29/62/187342962.db2.gz VTDCIRZIZRGLLM-UHFFFAOYSA-N 2 2 296.370 3.477 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CCCCC4)CC2)nc1 ZINC000623569188 349837609 /nfs/dbraw/zinc/83/76/09/349837609.db2.gz XHDABTMDINLBKA-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP CC1(C)CCC[C@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623584121 349841198 /nfs/dbraw/zinc/84/11/98/349841198.db2.gz JOBOVOZOQVOSLY-ZDUSSCGKSA-N 2 2 261.413 3.135 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000623657467 349859596 /nfs/dbraw/zinc/85/95/96/349859596.db2.gz RGFJQLXNDTVNRH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000623657467 349859598 /nfs/dbraw/zinc/85/95/98/349859598.db2.gz RGFJQLXNDTVNRH-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128101227 187351061 /nfs/dbraw/zinc/35/10/61/187351061.db2.gz HHDFNLGWNFZHNM-ZDUSSCGKSA-N 2 2 276.399 3.351 20 0 CGADLP C[N@H+](CCSc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000359900009 529929268 /nfs/dbraw/zinc/92/92/68/529929268.db2.gz NZSQJGXAOZUWMD-CQSZACIVSA-N 2 2 284.856 3.101 20 0 CGADLP C[N@@H+](CCSc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000359900009 529929269 /nfs/dbraw/zinc/92/92/69/529929269.db2.gz NZSQJGXAOZUWMD-CQSZACIVSA-N 2 2 284.856 3.101 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCCC34CC4)c[nH+]c12 ZINC000623824641 349890799 /nfs/dbraw/zinc/89/07/99/349890799.db2.gz LSLYHTITZFRKDK-CQSZACIVSA-N 2 2 269.392 3.313 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000623867617 349900106 /nfs/dbraw/zinc/90/01/06/349900106.db2.gz GANJOJURRRPVDS-OCCSQVGLSA-N 2 2 281.469 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423227819 529978631 /nfs/dbraw/zinc/97/86/31/529978631.db2.gz XCVGGEJCZPFOIJ-AWEZNQCLSA-N 2 2 254.377 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423225866 529978962 /nfs/dbraw/zinc/97/89/62/529978962.db2.gz ONVDKRGMWZMQIC-SNVBAGLBSA-N 2 2 292.370 3.211 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672450 344965063 /nfs/dbraw/zinc/96/50/63/344965063.db2.gz JQIHCEQRMGSEFC-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672450 344965067 /nfs/dbraw/zinc/96/50/67/344965067.db2.gz JQIHCEQRMGSEFC-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154385 344948253 /nfs/dbraw/zinc/94/82/53/344948253.db2.gz MHECOFKHIYSNOR-GJZGRUSLSA-N 2 2 264.413 3.065 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000063105981 345243418 /nfs/dbraw/zinc/24/34/18/345243418.db2.gz TZVQEPYEKLMJEF-ZDUSSCGKSA-N 2 2 266.348 3.240 20 0 CGADLP c1coc([C@@H](CNc2cccc[nH+]2)[NH+]2CCCCC2)c1 ZINC000067949189 345339171 /nfs/dbraw/zinc/33/91/71/345339171.db2.gz NLQLDAOTENZKDH-CQSZACIVSA-N 2 2 271.364 3.314 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2c[nH+]c3c(c2)CCCC3)CC1(C)C ZINC000623957541 349926872 /nfs/dbraw/zinc/92/68/72/349926872.db2.gz MXGGAYXYEUWEOF-AWEZNQCLSA-N 2 2 273.424 3.245 20 0 CGADLP C[N@H+]1CC[C@H](Nc2c[nH+]c3c(c2)CCCC3)CC1(C)C ZINC000623957541 349926873 /nfs/dbraw/zinc/92/68/73/349926873.db2.gz MXGGAYXYEUWEOF-AWEZNQCLSA-N 2 2 273.424 3.245 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000623962384 349929974 /nfs/dbraw/zinc/92/99/74/349929974.db2.gz FPHNJUHCQQSUDO-CIRFHOKZSA-N 2 2 290.451 3.225 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)[nH]1 ZINC000080961370 345692598 /nfs/dbraw/zinc/69/25/98/345692598.db2.gz KWUDGMQCNYYGCS-CQSZACIVSA-N 2 2 287.432 3.381 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)[nH]1 ZINC000080961370 345692601 /nfs/dbraw/zinc/69/26/01/345692601.db2.gz KWUDGMQCNYYGCS-CQSZACIVSA-N 2 2 287.432 3.381 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000084861790 345743193 /nfs/dbraw/zinc/74/31/93/345743193.db2.gz CKMYVSXYECFLKS-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000084861790 345743197 /nfs/dbraw/zinc/74/31/97/345743197.db2.gz CKMYVSXYECFLKS-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](c1cccnc1)C(C)C)[NH+]1CCCC1 ZINC000091284168 345809900 /nfs/dbraw/zinc/80/99/00/345809900.db2.gz ZMOJRMBDVYDTDI-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000092794311 345858895 /nfs/dbraw/zinc/85/88/95/345858895.db2.gz DHKXPNSXGZGVTQ-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000092794311 345858897 /nfs/dbraw/zinc/85/88/97/345858897.db2.gz DHKXPNSXGZGVTQ-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072741 345830973 /nfs/dbraw/zinc/83/09/73/345830973.db2.gz LVARRCPHAGZFGM-IEXSPKMKSA-N 2 2 297.402 3.311 20 0 CGADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072741 345830977 /nfs/dbraw/zinc/83/09/77/345830977.db2.gz LVARRCPHAGZFGM-IEXSPKMKSA-N 2 2 297.402 3.311 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865842 345890855 /nfs/dbraw/zinc/89/08/55/345890855.db2.gz ZECYQXCRVSARRZ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865842 345890857 /nfs/dbraw/zinc/89/08/57/345890857.db2.gz ZECYQXCRVSARRZ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000093403196 345877702 /nfs/dbraw/zinc/87/77/02/345877702.db2.gz JYNZFVOECQXMDZ-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093770012 345886407 /nfs/dbraw/zinc/88/64/07/345886407.db2.gz HSYQKYOFEQAPRJ-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093770012 345886411 /nfs/dbraw/zinc/88/64/11/345886411.db2.gz HSYQKYOFEQAPRJ-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093770012 345886415 /nfs/dbraw/zinc/88/64/15/345886415.db2.gz HSYQKYOFEQAPRJ-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093770012 345886420 /nfs/dbraw/zinc/88/64/20/345886420.db2.gz HSYQKYOFEQAPRJ-CYBMUJFWSA-N 2 2 281.469 3.040 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000131525302 346065762 /nfs/dbraw/zinc/06/57/62/346065762.db2.gz HZMLUODBDXQKLS-ONGXEEELSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000131525302 346065765 /nfs/dbraw/zinc/06/57/65/346065765.db2.gz HZMLUODBDXQKLS-ONGXEEELSA-N 2 2 273.207 3.305 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000624001772 349942366 /nfs/dbraw/zinc/94/23/66/349942366.db2.gz LJAWTKCGBPZYAL-MRXNPFEDSA-N 2 2 260.425 3.082 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000250430374 346385616 /nfs/dbraw/zinc/38/56/16/346385616.db2.gz HYFZHOPUUBJGKE-FZMZJTMJSA-N 2 2 252.427 3.012 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000250430374 346385619 /nfs/dbraw/zinc/38/56/19/346385619.db2.gz HYFZHOPUUBJGKE-FZMZJTMJSA-N 2 2 252.427 3.012 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000624101439 349970762 /nfs/dbraw/zinc/97/07/62/349970762.db2.gz GEEVCSXYBBCHHJ-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000624101439 349970765 /nfs/dbraw/zinc/97/07/65/349970765.db2.gz GEEVCSXYBBCHHJ-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@H](F)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351758304 219196588 /nfs/dbraw/zinc/19/65/88/219196588.db2.gz PBPNMZWQNNYNMW-AWEZNQCLSA-N 2 2 267.392 3.123 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000584588181 346685701 /nfs/dbraw/zinc/68/57/01/346685701.db2.gz UPASOAXGDUVWJO-WMLDXEAASA-N 2 2 282.387 3.087 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CSCCF)[NH+](C)C)cc1 ZINC000595016085 347258114 /nfs/dbraw/zinc/25/81/14/347258114.db2.gz PSUXXWFNACGHHE-GOEBONIOSA-N 2 2 298.471 3.279 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CC1CC1 ZINC000128600874 187379500 /nfs/dbraw/zinc/37/95/00/187379500.db2.gz ONPWKXZQYFTOHO-LBPRGKRZSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188592 349996233 /nfs/dbraw/zinc/99/62/33/349996233.db2.gz XRYOSXSCAAKBLO-WCQYABFASA-N 2 2 278.362 3.324 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188592 349996234 /nfs/dbraw/zinc/99/62/34/349996234.db2.gz XRYOSXSCAAKBLO-WCQYABFASA-N 2 2 278.362 3.324 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)s1 ZINC000358297291 233101183 /nfs/dbraw/zinc/10/11/83/233101183.db2.gz GZLZIFCUNIRJRE-XAGWURHQSA-N 2 2 278.465 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)s1 ZINC000358297291 233101186 /nfs/dbraw/zinc/10/11/86/233101186.db2.gz GZLZIFCUNIRJRE-XAGWURHQSA-N 2 2 278.465 3.498 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000620757853 349422058 /nfs/dbraw/zinc/42/20/58/349422058.db2.gz RWOULILCQUWUCM-HNNXBMFYSA-N 2 2 287.407 3.098 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000628163044 350418441 /nfs/dbraw/zinc/41/84/41/350418441.db2.gz NRMHWZCEAREPAC-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000628163044 350418445 /nfs/dbraw/zinc/41/84/45/350418445.db2.gz NRMHWZCEAREPAC-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000628214018 350443661 /nfs/dbraw/zinc/44/36/61/350443661.db2.gz HXFMPQAGQUODCG-CRAIPNDOSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000628214018 350443664 /nfs/dbraw/zinc/44/36/64/350443664.db2.gz HXFMPQAGQUODCG-CRAIPNDOSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000628225714 350449540 /nfs/dbraw/zinc/44/95/40/350449540.db2.gz LPYRCQYZCGFCCM-RDJZCZTQSA-N 2 2 292.492 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000628328636 350503407 /nfs/dbraw/zinc/50/34/07/350503407.db2.gz RHKNDRKFBQZFOX-FPMFFAJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000628328636 350503409 /nfs/dbraw/zinc/50/34/09/350503409.db2.gz RHKNDRKFBQZFOX-FPMFFAJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCCS1 ZINC000628339203 350505345 /nfs/dbraw/zinc/50/53/45/350505345.db2.gz ICCGURGJVMINMV-GOEBONIOSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCCS1 ZINC000628339203 350505348 /nfs/dbraw/zinc/50/53/48/350505348.db2.gz ICCGURGJVMINMV-GOEBONIOSA-N 2 2 282.497 3.269 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CS1 ZINC000628453937 350541773 /nfs/dbraw/zinc/54/17/73/350541773.db2.gz ALNSGHSGOJGQLS-KBMXLJTQSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CS1 ZINC000628453937 350541778 /nfs/dbraw/zinc/54/17/78/350541778.db2.gz ALNSGHSGOJGQLS-KBMXLJTQSA-N 2 2 282.497 3.123 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000629526409 350702056 /nfs/dbraw/zinc/70/20/56/350702056.db2.gz TUHJDGDNPOIBEF-BBWFWOEESA-N 2 2 258.409 3.258 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000629528087 350703012 /nfs/dbraw/zinc/70/30/12/350703012.db2.gz OXJAZPDKVFCBTK-SCUASFONSA-N 2 2 264.438 3.417 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000629527035 350703228 /nfs/dbraw/zinc/70/32/28/350703228.db2.gz IGRNIBYNBZKOGQ-GVDBMIGSSA-N 2 2 258.409 3.176 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C[NH2+]1 ZINC000629535377 350704806 /nfs/dbraw/zinc/70/48/06/350704806.db2.gz CEEZRMUGMAUGLG-IGCXYCKISA-N 2 2 283.419 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C[NH2+]1 ZINC000629535665 350704993 /nfs/dbraw/zinc/70/49/93/350704993.db2.gz DNZKAEQSMBDGHW-UEKVPHQBSA-N 2 2 264.800 3.057 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1SC ZINC000629540175 350706814 /nfs/dbraw/zinc/70/68/14/350706814.db2.gz RCHMWQNMNZCFDM-SGMGOOAPSA-N 2 2 294.464 3.208 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[NH2+]1 ZINC000629541412 350707730 /nfs/dbraw/zinc/70/77/30/350707730.db2.gz UVXIDRRUMAEAJU-TYNCELHUSA-N 2 2 294.826 3.284 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000629543957 350708286 /nfs/dbraw/zinc/70/82/86/350708286.db2.gz GXFDXGUXBZUCLB-VQISRLSMSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2c(s1)CCCC2 ZINC000629546708 350709934 /nfs/dbraw/zinc/70/99/34/350709934.db2.gz XDTLCFHURCGDRA-DMDPSCGWSA-N 2 2 264.438 3.028 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000629406284 350688946 /nfs/dbraw/zinc/68/89/46/350688946.db2.gz LXTWIHORTJRCCT-BLLLJJGKSA-N 2 2 272.417 3.255 20 0 CGADLP CC(C)c1cc(NCC[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000630343372 350824363 /nfs/dbraw/zinc/82/43/63/350824363.db2.gz LPXPEHFCFXWXBW-UHFFFAOYSA-N 2 2 290.455 3.043 20 0 CGADLP c1c[nH+]c(-c2cccc(-c3c[nH+]c4n3CCCC4)c2)[nH]1 ZINC000630051188 350801001 /nfs/dbraw/zinc/80/10/01/350801001.db2.gz MPXKXCYJGMMKLX-UHFFFAOYSA-N 2 2 264.332 3.277 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631039625 350934033 /nfs/dbraw/zinc/93/40/33/350934033.db2.gz AIYIPRBGVIYROS-GFCCVEGCSA-N 2 2 297.324 3.166 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000631142041 350967225 /nfs/dbraw/zinc/96/72/25/350967225.db2.gz ZWPTUZIMYIURQZ-AWFCHZOYSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000631142041 350967230 /nfs/dbraw/zinc/96/72/30/350967230.db2.gz ZWPTUZIMYIURQZ-AWFCHZOYSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)c[nH+]c12 ZINC000631254478 351007992 /nfs/dbraw/zinc/00/79/92/351007992.db2.gz LFYSCBRPEFTAAZ-SJORKVTESA-N 2 2 299.418 3.080 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCC34CC4)c2)c[nH+]1 ZINC000631194006 350986507 /nfs/dbraw/zinc/98/65/07/350986507.db2.gz UDPXGPFWJHJFLP-CQSZACIVSA-N 2 2 273.405 3.356 20 0 CGADLP CCC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000631684426 351119052 /nfs/dbraw/zinc/11/90/52/351119052.db2.gz ROMGDPHFHCYPNI-UHFFFAOYSA-N 2 2 289.467 3.462 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000631565311 351068941 /nfs/dbraw/zinc/06/89/41/351068941.db2.gz DXHYVFJTVQCSKC-GJZGRUSLSA-N 2 2 296.418 3.364 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000631795908 351143700 /nfs/dbraw/zinc/14/37/00/351143700.db2.gz OYXUKGZWSTXDHR-MRXNPFEDSA-N 2 2 282.378 3.300 20 0 CGADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccon2)CC1 ZINC000634952712 351608986 /nfs/dbraw/zinc/60/89/86/351608986.db2.gz HEXDZFYXAYPAAP-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991978 351619125 /nfs/dbraw/zinc/61/91/25/351619125.db2.gz YKKZAFALBOIEIQ-BZUNDVKYSA-N 2 2 298.352 3.450 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991978 351619127 /nfs/dbraw/zinc/61/91/27/351619127.db2.gz YKKZAFALBOIEIQ-BZUNDVKYSA-N 2 2 298.352 3.450 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)CC12CC(C1)C[NH2+]2 ZINC000634992717 351619182 /nfs/dbraw/zinc/61/91/82/351619182.db2.gz YPHIJRLVNFISQN-UHFFFAOYSA-N 2 2 272.417 3.085 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)CC12CC(C1)C[NH2+]2 ZINC000634992717 351619186 /nfs/dbraw/zinc/61/91/86/351619186.db2.gz YPHIJRLVNFISQN-UHFFFAOYSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cs1 ZINC000635006921 351625439 /nfs/dbraw/zinc/62/54/39/351625439.db2.gz NCYYUYZHNXXKLA-DOMZBBRYSA-N 2 2 289.448 3.062 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000336497279 213370687 /nfs/dbraw/zinc/37/06/87/213370687.db2.gz HOQLKXPMKRCCBO-GJZGRUSLSA-N 2 2 269.392 3.166 20 0 CGADLP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445657 191140489 /nfs/dbraw/zinc/14/04/89/191140489.db2.gz CHIREUAABGCOEA-HIFRSBDPSA-N 2 2 270.380 3.030 20 0 CGADLP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445657 191140490 /nfs/dbraw/zinc/14/04/90/191140490.db2.gz CHIREUAABGCOEA-HIFRSBDPSA-N 2 2 270.380 3.030 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000123167056 187075358 /nfs/dbraw/zinc/07/53/58/187075358.db2.gz OQSWKFQEOBPKNU-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@H+]1C ZINC000123167056 187075359 /nfs/dbraw/zinc/07/53/59/187075359.db2.gz OQSWKFQEOBPKNU-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167056 187075360 /nfs/dbraw/zinc/07/53/60/187075360.db2.gz OQSWKFQEOBPKNU-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167056 187075361 /nfs/dbraw/zinc/07/53/61/187075361.db2.gz OQSWKFQEOBPKNU-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438800 234214714 /nfs/dbraw/zinc/21/47/14/234214714.db2.gz PIDFUFWBMWAYKO-UKRRQHHQSA-N 2 2 279.403 3.227 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ncc[nH]1 ZINC000367524373 234221615 /nfs/dbraw/zinc/22/16/15/234221615.db2.gz CBBDCQCSXCQLSG-VYDXJSESSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ncc[nH]1 ZINC000367524373 234221617 /nfs/dbraw/zinc/22/16/17/234221617.db2.gz CBBDCQCSXCQLSG-VYDXJSESSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CC1CCCCC1 ZINC000368089209 234279671 /nfs/dbraw/zinc/27/96/71/234279671.db2.gz KFRKCFQTOIBAAD-ZFWWWQNUSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CC1CCCCC1 ZINC000368089209 234279678 /nfs/dbraw/zinc/27/96/78/234279678.db2.gz KFRKCFQTOIBAAD-ZFWWWQNUSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368099574 234280737 /nfs/dbraw/zinc/28/07/37/234280737.db2.gz GFKJXPBKTRMDEI-BXWFABGCSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368099574 234280742 /nfs/dbraw/zinc/28/07/42/234280742.db2.gz GFKJXPBKTRMDEI-BXWFABGCSA-N 2 2 295.430 3.367 20 0 CGADLP CCc1[nH+]ccn1CCCCCn1cc[nH+]c1CC ZINC000155391973 188202626 /nfs/dbraw/zinc/20/26/26/188202626.db2.gz DBNXPXMJEJJRIY-UHFFFAOYSA-N 2 2 260.385 3.075 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4occc43)n2c1 ZINC000155796384 188227508 /nfs/dbraw/zinc/22/75/08/188227508.db2.gz TWUOGAQLFRMJAP-HNNXBMFYSA-N 2 2 281.359 3.403 20 0 CGADLP Clc1ncccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157146114 188300469 /nfs/dbraw/zinc/30/04/69/188300469.db2.gz IIMPCLTYSOEDJK-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ncccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157146114 188300471 /nfs/dbraw/zinc/30/04/71/188300471.db2.gz IIMPCLTYSOEDJK-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Fc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157216081 188304157 /nfs/dbraw/zinc/30/41/57/188304157.db2.gz KMZPDAUXLAOLPA-MRXNPFEDSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157216081 188304159 /nfs/dbraw/zinc/30/41/59/188304159.db2.gz KMZPDAUXLAOLPA-MRXNPFEDSA-N 2 2 276.399 3.276 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494414455 282925408 /nfs/dbraw/zinc/92/54/08/282925408.db2.gz PAOKWEUOBNBUPY-GFCCVEGCSA-N 2 2 295.308 3.007 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423425533 283003269 /nfs/dbraw/zinc/00/32/69/283003269.db2.gz MIJVPAXEPHNCHC-RBUKOAKNSA-N 2 2 296.389 3.290 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397573 235053431 /nfs/dbraw/zinc/05/34/31/235053431.db2.gz ZAYXUPDMMNIYTR-CWRNSKLLSA-N 2 2 285.366 3.284 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397573 235053434 /nfs/dbraw/zinc/05/34/34/235053434.db2.gz ZAYXUPDMMNIYTR-CWRNSKLLSA-N 2 2 285.366 3.284 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336365927 213217697 /nfs/dbraw/zinc/21/76/97/213217697.db2.gz FQYTVEPYKKUZTG-QGZVFWFLSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000336365927 213217700 /nfs/dbraw/zinc/21/77/00/213217700.db2.gz FQYTVEPYKKUZTG-QGZVFWFLSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336365927 213217702 /nfs/dbraw/zinc/21/77/02/213217702.db2.gz FQYTVEPYKKUZTG-QGZVFWFLSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336365927 213217703 /nfs/dbraw/zinc/21/77/03/213217703.db2.gz FQYTVEPYKKUZTG-QGZVFWFLSA-N 2 2 291.439 3.024 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000271884234 191387149 /nfs/dbraw/zinc/38/71/49/191387149.db2.gz COFLDCRAFLSOPR-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000271884234 191387152 /nfs/dbraw/zinc/38/71/52/191387152.db2.gz COFLDCRAFLSOPR-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127147 235342556 /nfs/dbraw/zinc/34/25/56/235342556.db2.gz PRPQSSZCQRJGQO-CJNGLKHVSA-N 2 2 269.392 3.109 20 0 CGADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414247290 235372907 /nfs/dbraw/zinc/37/29/07/235372907.db2.gz DMJPSPRZDGELFP-UHFFFAOYSA-N 2 2 283.297 3.000 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414959243 235502588 /nfs/dbraw/zinc/50/25/88/235502588.db2.gz SDUPMSAPVSSSIM-AUUYWEPGSA-N 2 2 298.405 3.233 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1Cl ZINC000124680590 138377034 /nfs/dbraw/zinc/37/70/34/138377034.db2.gz AYDSSMJOMIECRC-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1Cl ZINC000124680590 138377035 /nfs/dbraw/zinc/37/70/35/138377035.db2.gz AYDSSMJOMIECRC-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1Cl ZINC000124680590 138377036 /nfs/dbraw/zinc/37/70/36/138377036.db2.gz AYDSSMJOMIECRC-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1Cl ZINC000124680590 138377037 /nfs/dbraw/zinc/37/70/37/138377037.db2.gz AYDSSMJOMIECRC-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP CC1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000336313800 213156844 /nfs/dbraw/zinc/15/68/44/213156844.db2.gz OKSMNYSQRJTHBF-AWEZNQCLSA-N 2 2 261.413 3.148 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000125078340 138379814 /nfs/dbraw/zinc/37/98/14/138379814.db2.gz RCWINJXEZSKSPY-UHFFFAOYSA-N 2 2 270.779 3.055 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)oc1C ZINC000423236049 236005855 /nfs/dbraw/zinc/00/58/55/236005855.db2.gz HEKLISAYFGPBGA-WFASDCNBSA-N 2 2 258.365 3.247 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423252273 236009993 /nfs/dbraw/zinc/00/99/93/236009993.db2.gz XGXCLRYNDZSUNU-WMLDXEAASA-N 2 2 254.377 3.346 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423326157 236038741 /nfs/dbraw/zinc/03/87/41/236038741.db2.gz QPUIKTAODVEMAF-MOPGFXCFSA-N 2 2 280.415 3.411 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000423330864 236041310 /nfs/dbraw/zinc/04/13/10/236041310.db2.gz MFLXKYHVZACBAC-SFHVURJKSA-N 2 2 290.451 3.052 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000119306363 370664044 /nfs/dbraw/zinc/66/40/44/370664044.db2.gz UYHQMUZTWMWGIW-YJNKEBTESA-N 2 2 270.420 3.147 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423357798 236049135 /nfs/dbraw/zinc/04/91/35/236049135.db2.gz ATJBTVIVCCYTTR-NWDGAFQWSA-N 2 2 289.448 3.040 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCOC1 ZINC000423409368 236066710 /nfs/dbraw/zinc/06/67/10/236066710.db2.gz YUXVIYZMYRVOPT-JVPBZIDWSA-N 2 2 298.430 3.244 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423422299 236068649 /nfs/dbraw/zinc/06/86/49/236068649.db2.gz KJINZRNIWVLPCI-JQHSSLGASA-N 2 2 290.426 3.381 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000423448155 236073033 /nfs/dbraw/zinc/07/30/33/236073033.db2.gz PVVGSMHXCAEBGD-HDMKZQKVSA-N 2 2 268.404 3.410 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccsc1 ZINC000423505946 236089548 /nfs/dbraw/zinc/08/95/48/236089548.db2.gz HPMZLOHQDBVAMF-VBNZEHGJSA-N 2 2 272.417 3.154 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(F)c1 ZINC000425374318 236240816 /nfs/dbraw/zinc/24/08/16/236240816.db2.gz WXRPPNNYWWZQOE-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)c1 ZINC000425374318 236240817 /nfs/dbraw/zinc/24/08/17/236240817.db2.gz WXRPPNNYWWZQOE-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(F)c1 ZINC000425374318 236240818 /nfs/dbraw/zinc/24/08/18/236240818.db2.gz WXRPPNNYWWZQOE-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(F)c1 ZINC000425374318 236240819 /nfs/dbraw/zinc/24/08/19/236240819.db2.gz WXRPPNNYWWZQOE-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000119306363 370664053 /nfs/dbraw/zinc/66/40/53/370664053.db2.gz UYHQMUZTWMWGIW-YJNKEBTESA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436298152 237074027 /nfs/dbraw/zinc/07/40/27/237074027.db2.gz YTHYTCSSHHERGO-LBKNJMOBSA-N 2 2 298.474 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436298152 237074033 /nfs/dbraw/zinc/07/40/33/237074033.db2.gz YTHYTCSSHHERGO-LBKNJMOBSA-N 2 2 298.474 3.470 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000437107813 237251975 /nfs/dbraw/zinc/25/19/75/237251975.db2.gz CFPTVMQQSFWYHE-IAGOWNOFSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000437754157 237340793 /nfs/dbraw/zinc/34/07/93/237340793.db2.gz AQZKBITWSUNSQG-ZWKOTPCHSA-N 2 2 272.436 3.182 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000437776037 237343059 /nfs/dbraw/zinc/34/30/59/237343059.db2.gz OJVKYDXIVLIKFC-VDHUWJSZSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000437776037 237343065 /nfs/dbraw/zinc/34/30/65/237343065.db2.gz OJVKYDXIVLIKFC-VDHUWJSZSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017671 189021210 /nfs/dbraw/zinc/02/12/10/189021210.db2.gz QPLUBTAXGZKZOA-ZBFHGGJFSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017671 189021211 /nfs/dbraw/zinc/02/12/11/189021211.db2.gz QPLUBTAXGZKZOA-ZBFHGGJFSA-N 2 2 284.407 3.278 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cn2)c[nH+]1 ZINC000177307656 189043366 /nfs/dbraw/zinc/04/33/66/189043366.db2.gz RJIYZGSTQKJOTD-CVEARBPZSA-N 2 2 282.391 3.032 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cn2)c[nH+]1 ZINC000177307656 189043367 /nfs/dbraw/zinc/04/33/67/189043367.db2.gz RJIYZGSTQKJOTD-CVEARBPZSA-N 2 2 282.391 3.032 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1F ZINC000179559188 189202287 /nfs/dbraw/zinc/20/22/87/189202287.db2.gz WHBMBYDFVXUEEM-SDDRHHMPSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1F ZINC000179559188 189202288 /nfs/dbraw/zinc/20/22/88/189202288.db2.gz WHBMBYDFVXUEEM-SDDRHHMPSA-N 2 2 268.351 3.098 20 0 CGADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000179674956 189212539 /nfs/dbraw/zinc/21/25/39/189212539.db2.gz WFJKBEKITLQODT-UHFFFAOYSA-N 2 2 279.334 3.076 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342186974 216252203 /nfs/dbraw/zinc/25/22/03/216252203.db2.gz FIVDSJCNBKYODS-ZDUSSCGKSA-N 2 2 261.394 3.212 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](F)C2)n1-c1ccccc1 ZINC000342270160 216285725 /nfs/dbraw/zinc/28/57/25/216285725.db2.gz AIPARNXOGFWCOW-ZIAGYGMSSA-N 2 2 273.355 3.161 20 0 CGADLP CC(C)Oc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181098745 189288625 /nfs/dbraw/zinc/28/86/25/189288625.db2.gz YFUQUIJENHVHPC-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181098745 189288626 /nfs/dbraw/zinc/28/86/26/189288626.db2.gz YFUQUIJENHVHPC-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC000181113182 189289464 /nfs/dbraw/zinc/28/94/64/189289464.db2.gz ZSAGXWKEMYTVQI-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC000181113182 189289465 /nfs/dbraw/zinc/28/94/65/189289465.db2.gz ZSAGXWKEMYTVQI-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301470803 201020621 /nfs/dbraw/zinc/02/06/21/201020621.db2.gz OXSQVQWFZKVOIB-HNNXBMFYSA-N 2 2 290.455 3.077 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301470803 201020624 /nfs/dbraw/zinc/02/06/24/201020624.db2.gz OXSQVQWFZKVOIB-HNNXBMFYSA-N 2 2 290.455 3.077 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301508010 201037552 /nfs/dbraw/zinc/03/75/52/201037552.db2.gz DIGSEMQMCPHNKX-QWHCGFSZSA-N 2 2 276.428 3.059 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956807 189340430 /nfs/dbraw/zinc/34/04/30/189340430.db2.gz GMJWUMCCOJDTIH-JKIFEVAISA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956807 189340431 /nfs/dbraw/zinc/34/04/31/189340431.db2.gz GMJWUMCCOJDTIH-JKIFEVAISA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182956807 189340432 /nfs/dbraw/zinc/34/04/32/189340432.db2.gz GMJWUMCCOJDTIH-JKIFEVAISA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182956807 189340433 /nfs/dbraw/zinc/34/04/33/189340433.db2.gz GMJWUMCCOJDTIH-JKIFEVAISA-N 2 2 287.451 3.210 20 0 CGADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301607847 201092147 /nfs/dbraw/zinc/09/21/47/201092147.db2.gz ODIVNURNNXSEOC-AWEZNQCLSA-N 2 2 290.455 3.164 20 0 CGADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301607847 201092150 /nfs/dbraw/zinc/09/21/50/201092150.db2.gz ODIVNURNNXSEOC-AWEZNQCLSA-N 2 2 290.455 3.164 20 0 CGADLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000183163746 189348482 /nfs/dbraw/zinc/34/84/82/189348482.db2.gz KWNVNPVLBWTNCN-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000183163746 189348483 /nfs/dbraw/zinc/34/84/83/189348483.db2.gz KWNVNPVLBWTNCN-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP COc1ccccc1[C@H](CNc1cc(C)cc[nH+]1)[NH+](C)C ZINC000301646208 201113573 /nfs/dbraw/zinc/11/35/73/201113573.db2.gz PNFDOUJOWPCEOG-HNNXBMFYSA-N 2 2 285.391 3.113 20 0 CGADLP Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301715132 201156662 /nfs/dbraw/zinc/15/66/62/201156662.db2.gz ZRNXPSXOYKLMAA-LBPRGKRZSA-N 2 2 290.455 3.324 20 0 CGADLP Cc1nc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301715132 201156664 /nfs/dbraw/zinc/15/66/64/201156664.db2.gz ZRNXPSXOYKLMAA-LBPRGKRZSA-N 2 2 290.455 3.324 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449156014 239209631 /nfs/dbraw/zinc/20/96/31/239209631.db2.gz RDXUBHXPVKSSPO-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449156014 239209633 /nfs/dbraw/zinc/20/96/33/239209633.db2.gz RDXUBHXPVKSSPO-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1ccc2[nH+]ccc(NCCCn3cc[nH+]c3)c2c1 ZINC000302139033 201360443 /nfs/dbraw/zinc/36/04/43/201360443.db2.gz CUAQIFNEKJBMAR-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352911 239341505 /nfs/dbraw/zinc/34/15/05/239341505.db2.gz ZDIPICDGALTMBZ-RYUDHWBXSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H](C)C1CCCCC1 ZINC000449393442 239380504 /nfs/dbraw/zinc/38/05/04/239380504.db2.gz CBMNTCSHUFWTRV-RYRKJORJSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H](C)C1CCCCC1 ZINC000449393442 239380509 /nfs/dbraw/zinc/38/05/09/239380509.db2.gz CBMNTCSHUFWTRV-RYRKJORJSA-N 2 2 296.499 3.028 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC000411966049 294108212 /nfs/dbraw/zinc/10/82/12/294108212.db2.gz GJAZZERZBPRVBX-UAGQMJEPSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000411966049 294108218 /nfs/dbraw/zinc/10/82/18/294108218.db2.gz GJAZZERZBPRVBX-UAGQMJEPSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120714151 370793657 /nfs/dbraw/zinc/79/36/57/370793657.db2.gz WJJVOXVXCOQKFR-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP c1ccc([C@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000275493632 193057318 /nfs/dbraw/zinc/05/73/18/193057318.db2.gz LIGOYVYAOPVXIG-IRXDYDNUSA-N 2 2 258.409 3.008 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1nccc2ccccc21 ZINC000335496768 299365808 /nfs/dbraw/zinc/36/58/08/299365808.db2.gz SUFJGKPXTZKGRQ-DZGCQCFKSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000121306246 370851139 /nfs/dbraw/zinc/85/11/39/370851139.db2.gz KEJYCKMHCMEQTF-NUTKFTJISA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000121306246 370851144 /nfs/dbraw/zinc/85/11/44/370851144.db2.gz KEJYCKMHCMEQTF-NUTKFTJISA-N 2 2 276.399 3.492 20 0 CGADLP CC1CCC([N@H+](CCc2c[nH+]cn2C)C2CC2)CC1 ZINC000459308965 242064280 /nfs/dbraw/zinc/06/42/80/242064280.db2.gz VFLQQAGXVCWXBH-UHFFFAOYSA-N 2 2 261.413 3.006 20 0 CGADLP CC1CCC([N@@H+](CCc2c[nH+]cn2C)C2CC2)CC1 ZINC000459308965 242064286 /nfs/dbraw/zinc/06/42/86/242064286.db2.gz VFLQQAGXVCWXBH-UHFFFAOYSA-N 2 2 261.413 3.006 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000459428851 242104450 /nfs/dbraw/zinc/10/44/50/242104450.db2.gz PRCIIULNYRKPHH-VXGBXAGGSA-N 2 2 284.806 3.360 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000459428851 242104460 /nfs/dbraw/zinc/10/44/60/242104460.db2.gz PRCIIULNYRKPHH-VXGBXAGGSA-N 2 2 284.806 3.360 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000459349621 242086673 /nfs/dbraw/zinc/08/66/73/242086673.db2.gz NWCRLGYXGBVYGU-MRXNPFEDSA-N 2 2 275.440 3.397 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000459349621 242086676 /nfs/dbraw/zinc/08/66/76/242086676.db2.gz NWCRLGYXGBVYGU-MRXNPFEDSA-N 2 2 275.440 3.397 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459662241 242167422 /nfs/dbraw/zinc/16/74/22/242167422.db2.gz ZSEJXFVUWGYTQI-TZMCWYRMSA-N 2 2 292.389 3.427 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459673370 242173424 /nfs/dbraw/zinc/17/34/24/242173424.db2.gz YLMGCKGILWJKSK-LCYFTJDESA-N 2 2 289.810 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498298 212178591 /nfs/dbraw/zinc/17/85/91/212178591.db2.gz IUNWBWOFKUQLIG-WCQYABFASA-N 2 2 275.421 3.089 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1nccc2ccccc21 ZINC000335496867 212176544 /nfs/dbraw/zinc/17/65/44/212176544.db2.gz SUFJGKPXTZKGRQ-ZFWWWQNUSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c(C)c1 ZINC000479434160 243103038 /nfs/dbraw/zinc/10/30/38/243103038.db2.gz CKRWWPIUQYLPJA-AUUYWEPGSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c(C)c1 ZINC000479434160 243103041 /nfs/dbraw/zinc/10/30/41/243103041.db2.gz CKRWWPIUQYLPJA-AUUYWEPGSA-N 2 2 297.446 3.357 20 0 CGADLP CC(C)[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482899358 243251330 /nfs/dbraw/zinc/25/13/30/243251330.db2.gz KKEYHZCYCQVCRM-HNNXBMFYSA-N 2 2 284.513 3.372 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000483518378 243291160 /nfs/dbraw/zinc/29/11/60/243291160.db2.gz IIMZGNXNFHFERN-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000484491391 243315001 /nfs/dbraw/zinc/31/50/01/243315001.db2.gz LGIXVPSYWNOASP-DOTOQJQBSA-N 2 2 292.492 3.391 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000486981488 243390781 /nfs/dbraw/zinc/39/07/81/243390781.db2.gz RWZGPZAIMVXCEA-UHFFFAOYSA-N 2 2 293.798 3.115 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390358 243361277 /nfs/dbraw/zinc/36/12/77/243361277.db2.gz VPKBPSBOTIMIQN-SJLPKXTDSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390358 243361280 /nfs/dbraw/zinc/36/12/80/243361280.db2.gz VPKBPSBOTIMIQN-SJLPKXTDSA-N 2 2 286.463 3.329 20 0 CGADLP CCC[NH+](CCC)CCCNC(=O)Nc1cc[nH+]cc1C ZINC000121817581 370898566 /nfs/dbraw/zinc/89/85/66/370898566.db2.gz OGVHLYHOQPQFHG-UHFFFAOYSA-N 2 2 292.427 3.024 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000022936489 368814704 /nfs/dbraw/zinc/81/47/04/368814704.db2.gz PLHSUNMWAICNME-CYBMUJFWSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000022936489 368814713 /nfs/dbraw/zinc/81/47/13/368814713.db2.gz PLHSUNMWAICNME-CYBMUJFWSA-N 2 2 286.341 3.279 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC000036921931 369039732 /nfs/dbraw/zinc/03/97/32/369039732.db2.gz YRUNZDLVPFDMHV-NDNKKMJESA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC000036921931 369039738 /nfs/dbraw/zinc/03/97/38/369039738.db2.gz YRUNZDLVPFDMHV-NDNKKMJESA-N 2 2 280.362 3.241 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000034996609 368988306 /nfs/dbraw/zinc/98/83/06/368988306.db2.gz NDCSQMIDDDZMPQ-UHFFFAOYSA-N 2 2 290.451 3.436 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000037158258 369074108 /nfs/dbraw/zinc/07/41/08/369074108.db2.gz FOGFIIXGQLRIFW-XEBKBJJBSA-N 2 2 289.810 3.461 20 0 CGADLP CCCc1nc(C[N@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352496376 284122369 /nfs/dbraw/zinc/12/23/69/284122369.db2.gz VKCBOHPUCIIWDB-UHFFFAOYSA-N 2 2 295.496 3.437 20 0 CGADLP CCCc1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000352496376 284122374 /nfs/dbraw/zinc/12/23/74/284122374.db2.gz VKCBOHPUCIIWDB-UHFFFAOYSA-N 2 2 295.496 3.437 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000042314819 369211929 /nfs/dbraw/zinc/21/19/29/369211929.db2.gz ZMXQJMCHWDRTRZ-KRWDZBQOSA-N 2 2 276.424 3.222 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685236 369267865 /nfs/dbraw/zinc/26/78/65/369267865.db2.gz WKHUKVHKUFWVTD-JQWIXIFHSA-N 2 2 282.790 3.366 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685236 369267867 /nfs/dbraw/zinc/26/78/67/369267867.db2.gz WKHUKVHKUFWVTD-JQWIXIFHSA-N 2 2 282.790 3.366 20 0 CGADLP CCCC1CCC(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494438792 244289840 /nfs/dbraw/zinc/28/98/40/244289840.db2.gz RXCHKIXTZAAKPF-GPANFISMSA-N 2 2 275.440 3.394 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@H]3CCCC[N@H+]3C)CCC2)n1 ZINC000494785830 244318550 /nfs/dbraw/zinc/31/85/50/244318550.db2.gz CDLBVHAOUMLDPM-CQSZACIVSA-N 2 2 293.480 3.295 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@H]3CCCC[N@@H+]3C)CCC2)n1 ZINC000494785830 244318554 /nfs/dbraw/zinc/31/85/54/244318554.db2.gz CDLBVHAOUMLDPM-CQSZACIVSA-N 2 2 293.480 3.295 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]1C ZINC000494905389 244329262 /nfs/dbraw/zinc/32/92/62/244329262.db2.gz DRCWASMNRYPWLA-JMSVASOKSA-N 2 2 257.381 3.130 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1C ZINC000495108149 244357389 /nfs/dbraw/zinc/35/73/89/244357389.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000495108149 244357392 /nfs/dbraw/zinc/35/73/92/244357392.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C ZINC000495108149 244357394 /nfs/dbraw/zinc/35/73/94/244357394.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1C ZINC000495108149 244357398 /nfs/dbraw/zinc/35/73/98/244357398.db2.gz LFYFLARGOJOHNT-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1Br ZINC000049553135 369409090 /nfs/dbraw/zinc/40/90/90/369409090.db2.gz DFELLSHMJDZFRO-RYUDHWBXSA-N 2 2 299.256 3.440 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000053201727 369480210 /nfs/dbraw/zinc/48/02/10/369480210.db2.gz KFIDERKSGAXZPY-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000053201727 369480219 /nfs/dbraw/zinc/48/02/19/369480219.db2.gz KFIDERKSGAXZPY-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000061325545 369598123 /nfs/dbraw/zinc/59/81/23/369598123.db2.gz FGBFOMVETCFPBQ-CYBMUJFWSA-N 2 2 261.394 3.002 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061326788 369598279 /nfs/dbraw/zinc/59/82/79/369598279.db2.gz KACOBVDHMPSIMY-RRFJBIMHSA-N 2 2 276.449 3.342 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061326788 369598282 /nfs/dbraw/zinc/59/82/82/369598282.db2.gz KACOBVDHMPSIMY-RRFJBIMHSA-N 2 2 276.449 3.342 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000061377413 369599841 /nfs/dbraw/zinc/59/98/41/369599841.db2.gz ICJIQJXVGNHILB-QGZVFWFLSA-N 2 2 292.467 3.332 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000061377413 369599846 /nfs/dbraw/zinc/59/98/46/369599846.db2.gz ICJIQJXVGNHILB-QGZVFWFLSA-N 2 2 292.467 3.332 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192067 369643740 /nfs/dbraw/zinc/64/37/40/369643740.db2.gz NYXGWFLCYDDQBR-RHSMWYFYSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192067 369643746 /nfs/dbraw/zinc/64/37/46/369643746.db2.gz NYXGWFLCYDDQBR-RHSMWYFYSA-N 2 2 276.424 3.176 20 0 CGADLP C[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000067500760 369718904 /nfs/dbraw/zinc/71/89/04/369718904.db2.gz LIXLMKHJNRWXRL-GFCCVEGCSA-N 2 2 297.324 3.328 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000422803505 296148891 /nfs/dbraw/zinc/14/88/91/296148891.db2.gz JAIHSAWDLRKTOA-SUNKGSAMSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000068690694 369746604 /nfs/dbraw/zinc/74/66/04/369746604.db2.gz VKHSWVRJMKMCDS-GFCCVEGCSA-N 2 2 286.404 3.234 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000070150051 369781697 /nfs/dbraw/zinc/78/16/97/369781697.db2.gz NKHQFKVYUIFDBK-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000070150051 369781699 /nfs/dbraw/zinc/78/16/99/369781699.db2.gz NKHQFKVYUIFDBK-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000070149528 369781822 /nfs/dbraw/zinc/78/18/22/369781822.db2.gz FTBLEYFVBKEXMZ-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000070149528 369781825 /nfs/dbraw/zinc/78/18/25/369781825.db2.gz FTBLEYFVBKEXMZ-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000070149461 369782721 /nfs/dbraw/zinc/78/27/21/369782721.db2.gz CSAPCCCHNMDDGC-INIZCTEOSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000070149461 369782726 /nfs/dbraw/zinc/78/27/26/369782726.db2.gz CSAPCCCHNMDDGC-INIZCTEOSA-N 2 2 285.391 3.045 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)[C@H](C)[NH3+] ZINC000423439798 296150926 /nfs/dbraw/zinc/15/09/26/296150926.db2.gz IDNHHJZGCYLRLS-YIZRAAEISA-N 2 2 261.196 3.380 20 0 CGADLP COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644431 370150619 /nfs/dbraw/zinc/15/06/19/370150619.db2.gz BOGDNQRNEAHPAA-KYZJMWGYSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644431 370150621 /nfs/dbraw/zinc/15/06/21/370150621.db2.gz BOGDNQRNEAHPAA-KYZJMWGYSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644431 370150624 /nfs/dbraw/zinc/15/06/24/370150624.db2.gz BOGDNQRNEAHPAA-KYZJMWGYSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644431 370150629 /nfs/dbraw/zinc/15/06/29/370150629.db2.gz BOGDNQRNEAHPAA-KYZJMWGYSA-N 2 2 288.435 3.123 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C12CCCCC2 ZINC000097928121 370257706 /nfs/dbraw/zinc/25/77/06/370257706.db2.gz GAOXDXVKRPTGGG-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP CCCC[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000112515086 370428948 /nfs/dbraw/zinc/42/89/48/370428948.db2.gz PTBMPOXRHPNFQH-UHFFFAOYSA-N 2 2 274.412 3.030 20 0 CGADLP CC[C@H]1CCC[C@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000513067560 245062554 /nfs/dbraw/zinc/06/25/54/245062554.db2.gz FQFMNJUJCMCIBF-HOTGVXAUSA-N 2 2 298.434 3.377 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000115609900 370538099 /nfs/dbraw/zinc/53/80/99/370538099.db2.gz GCARJOIKZYLXJW-UHFFFAOYSA-N 2 2 294.345 3.266 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841945 370629125 /nfs/dbraw/zinc/62/91/25/370629125.db2.gz ROBNHFAOJRNTHE-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841945 370629129 /nfs/dbraw/zinc/62/91/29/370629129.db2.gz ROBNHFAOJRNTHE-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841945 370629131 /nfs/dbraw/zinc/62/91/31/370629131.db2.gz ROBNHFAOJRNTHE-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841945 370629136 /nfs/dbraw/zinc/62/91/36/370629136.db2.gz ROBNHFAOJRNTHE-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000119059734 370640372 /nfs/dbraw/zinc/64/03/72/370640372.db2.gz UXOHJZIFANJYEK-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@H]1SCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000118416663 370615091 /nfs/dbraw/zinc/61/50/91/370615091.db2.gz CHZNRKXLSREGFD-UONOGXRCSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H]1SCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000118416663 370615098 /nfs/dbraw/zinc/61/50/98/370615098.db2.gz CHZNRKXLSREGFD-UONOGXRCSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000130653730 371049936 /nfs/dbraw/zinc/04/99/36/371049936.db2.gz JGGCTCVDKAAPKC-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000130653730 371049941 /nfs/dbraw/zinc/04/99/41/371049941.db2.gz JGGCTCVDKAAPKC-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130653730 371049948 /nfs/dbraw/zinc/04/99/48/371049948.db2.gz JGGCTCVDKAAPKC-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130653730 371049957 /nfs/dbraw/zinc/04/99/57/371049957.db2.gz JGGCTCVDKAAPKC-ZYHUDNBSSA-N 2 2 286.341 3.018 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130544028 371042536 /nfs/dbraw/zinc/04/25/36/371042536.db2.gz SYBSOHOGPHRWMG-HOCLYGCPSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130544028 371042539 /nfs/dbraw/zinc/04/25/39/371042539.db2.gz SYBSOHOGPHRWMG-HOCLYGCPSA-N 2 2 258.409 3.191 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000134137820 371305846 /nfs/dbraw/zinc/30/58/46/371305846.db2.gz XJZAQGYIEPXBQA-HOCLYGCPSA-N 2 2 280.431 3.323 20 0 CGADLP CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000135621710 371440708 /nfs/dbraw/zinc/44/07/08/371440708.db2.gz ZWFJYTWIFSNOJW-UHFFFAOYSA-N 2 2 255.365 3.295 20 0 CGADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000286718688 371543203 /nfs/dbraw/zinc/54/32/03/371543203.db2.gz GEUPFPUOHLQDTG-ZDUSSCGKSA-N 2 2 261.394 3.028 20 0 CGADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000286718688 371543207 /nfs/dbraw/zinc/54/32/07/371543207.db2.gz GEUPFPUOHLQDTG-ZDUSSCGKSA-N 2 2 261.394 3.028 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000287040819 371594422 /nfs/dbraw/zinc/59/44/22/371594422.db2.gz SWIVDFYBWLWFSU-AWEZNQCLSA-N 2 2 275.421 3.418 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000287040819 371594428 /nfs/dbraw/zinc/59/44/28/371594428.db2.gz SWIVDFYBWLWFSU-AWEZNQCLSA-N 2 2 275.421 3.418 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151359483 371595064 /nfs/dbraw/zinc/59/50/64/371595064.db2.gz HJLFDVMFSSBOQZ-GOSISDBHSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087124 371601516 /nfs/dbraw/zinc/60/15/16/371601516.db2.gz PCFAHZQTLQRSQW-JYJNAYRXSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087124 371601521 /nfs/dbraw/zinc/60/15/21/371601521.db2.gz PCFAHZQTLQRSQW-JYJNAYRXSA-N 2 2 298.434 3.006 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805324 371636033 /nfs/dbraw/zinc/63/60/33/371636033.db2.gz FXNSRCKHSSOOGK-FFSVYQOJSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805324 371636036 /nfs/dbraw/zinc/63/60/36/371636036.db2.gz FXNSRCKHSSOOGK-FFSVYQOJSA-N 2 2 282.378 3.488 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000421815008 371638101 /nfs/dbraw/zinc/63/81/01/371638101.db2.gz LGOQPPKDWPXXFO-LBPRGKRZSA-N 2 2 282.815 3.095 20 0 CGADLP Clc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000287317380 371638977 /nfs/dbraw/zinc/63/89/77/371638977.db2.gz NPYZZHXKKJXGBD-CYBMUJFWSA-N 2 2 299.805 3.339 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421818928 371640881 /nfs/dbraw/zinc/64/08/81/371640881.db2.gz DEPAQTXRJQXRQF-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421818928 371640886 /nfs/dbraw/zinc/64/08/86/371640886.db2.gz DEPAQTXRJQXRQF-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000421820724 371642719 /nfs/dbraw/zinc/64/27/19/371642719.db2.gz NNGAJCXCMZAREX-NSHDSACASA-N 2 2 282.815 3.093 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000152809082 371725873 /nfs/dbraw/zinc/72/58/73/371725873.db2.gz GRSJQDCRHVNWLJ-CYBMUJFWSA-N 2 2 287.382 3.252 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353317299 220024855 /nfs/dbraw/zinc/02/48/55/220024855.db2.gz VWZFNDZITPLDKM-RYUDHWBXSA-N 2 2 271.355 3.075 20 0 CGADLP C[N@@H+](Cc1ncc(-c2ccccc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152466488 371697905 /nfs/dbraw/zinc/69/79/05/371697905.db2.gz DXOULRIVXTVUIV-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1ncc(-c2ccccc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152466488 371697912 /nfs/dbraw/zinc/69/79/12/371697912.db2.gz DXOULRIVXTVUIV-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152466488 371697915 /nfs/dbraw/zinc/69/79/15/371697915.db2.gz DXOULRIVXTVUIV-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1ncc(-c2ccccc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152466488 371697919 /nfs/dbraw/zinc/69/79/19/371697919.db2.gz DXOULRIVXTVUIV-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@H+](C)C1CC1 ZINC000337346191 214020346 /nfs/dbraw/zinc/02/03/46/214020346.db2.gz VYNONMUPRDBAPH-VYDXJSESSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000337346191 214020347 /nfs/dbraw/zinc/02/03/47/214020347.db2.gz VYNONMUPRDBAPH-VYDXJSESSA-N 2 2 287.451 3.180 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000422635660 371754127 /nfs/dbraw/zinc/75/41/27/371754127.db2.gz LUWGQNKZRKOBCV-IHRRRGAJSA-N 2 2 295.496 3.291 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000422635660 371754133 /nfs/dbraw/zinc/75/41/33/371754133.db2.gz LUWGQNKZRKOBCV-IHRRRGAJSA-N 2 2 295.496 3.291 20 0 CGADLP C[C@H]([NH2+]Cc1csc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422757563 371787343 /nfs/dbraw/zinc/78/73/43/371787343.db2.gz JRBADZMNAUILER-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422772378 371797469 /nfs/dbraw/zinc/79/74/69/371797469.db2.gz XDAOPPGAWPIBAU-KGLIPLIRSA-N 2 2 282.815 3.098 20 0 CGADLP Cc1ccc(SCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422775079 371798740 /nfs/dbraw/zinc/79/87/40/371798740.db2.gz ZUHDNDNIXMDHAZ-GDBMZVCRSA-N 2 2 278.465 3.207 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786947 371808554 /nfs/dbraw/zinc/80/85/54/371808554.db2.gz PIRYRUPROZBWDK-MAZHCROVSA-N 2 2 296.842 3.148 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422798041 371816409 /nfs/dbraw/zinc/81/64/09/371816409.db2.gz PMIGSBJEIKIRQN-CHWSQXEVSA-N 2 2 284.350 3.038 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSC[C@H](C)C1 ZINC000289769583 371816463 /nfs/dbraw/zinc/81/64/63/371816463.db2.gz QUVFHTJPUIFUCT-CYBMUJFWSA-N 2 2 264.438 3.008 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSC[C@H](C)C1 ZINC000289769583 371816475 /nfs/dbraw/zinc/81/64/75/371816475.db2.gz QUVFHTJPUIFUCT-CYBMUJFWSA-N 2 2 264.438 3.008 20 0 CGADLP COc1cc[nH+]cc1CSCC[NH+](C(C)C)C(C)C ZINC000344081971 217043063 /nfs/dbraw/zinc/04/30/63/217043063.db2.gz YEOBUMPIYLFDPA-UHFFFAOYSA-N 2 2 282.453 3.442 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000422884376 371853980 /nfs/dbraw/zinc/85/39/80/371853980.db2.gz SBOGKZSNSDAWGF-GYSYKLTISA-N 2 2 284.350 3.079 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000289964606 371864770 /nfs/dbraw/zinc/86/47/70/371864770.db2.gz BIZFURJYMUKBQF-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000422912572 371866525 /nfs/dbraw/zinc/86/65/25/371866525.db2.gz NKTMZPHWSRFDGB-ACJTYDJDSA-N 2 2 279.453 3.200 20 0 CGADLP CC1(C)C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344104270 217052979 /nfs/dbraw/zinc/05/29/79/217052979.db2.gz HHAWXTQEBQFGRA-NSHDSACASA-N 2 2 261.394 3.070 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000290083917 371899417 /nfs/dbraw/zinc/89/94/17/371899417.db2.gz QVIPEAIUVALLGO-UHFFFAOYSA-N 2 2 295.386 3.258 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000290083917 371899426 /nfs/dbraw/zinc/89/94/26/371899426.db2.gz QVIPEAIUVALLGO-UHFFFAOYSA-N 2 2 295.386 3.258 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422993827 371905552 /nfs/dbraw/zinc/90/55/52/371905552.db2.gz GKSRKNRWAPRNFT-KGLIPLIRSA-N 2 2 286.341 3.354 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422999654 371908699 /nfs/dbraw/zinc/90/86/99/371908699.db2.gz FOJVGWGNDPXZRD-SJORKVTESA-N 2 2 276.424 3.014 20 0 CGADLP Cc1ccc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000423034334 371926957 /nfs/dbraw/zinc/92/69/57/371926957.db2.gz XKWWZQAFNKRKIZ-AEFFLSMTSA-N 2 2 295.386 3.058 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000290300051 371957790 /nfs/dbraw/zinc/95/77/90/371957790.db2.gz HVQHXAAOJSHEPR-IBGZPJMESA-N 2 2 297.446 3.215 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000156543319 371983214 /nfs/dbraw/zinc/98/32/14/371983214.db2.gz HFFVLPKSMVBQDF-DZGCQCFKSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000156543319 371983218 /nfs/dbraw/zinc/98/32/18/371983218.db2.gz HFFVLPKSMVBQDF-DZGCQCFKSA-N 2 2 294.439 3.437 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155981213 371956796 /nfs/dbraw/zinc/95/67/96/371956796.db2.gz DYYBMDYDMROFFS-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155981213 371956798 /nfs/dbraw/zinc/95/67/98/371956798.db2.gz DYYBMDYDMROFFS-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197552 372022191 /nfs/dbraw/zinc/02/21/91/372022191.db2.gz ZVSWWMNFAWJMRE-GDBMZVCRSA-N 2 2 278.465 3.145 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2occc2c1 ZINC000290583886 372022830 /nfs/dbraw/zinc/02/28/30/372022830.db2.gz UUBBGJZBOLSYPD-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2occc2c1 ZINC000290583886 372022836 /nfs/dbraw/zinc/02/28/36/372022836.db2.gz UUBBGJZBOLSYPD-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cs1 ZINC000423198422 372023418 /nfs/dbraw/zinc/02/34/18/372023418.db2.gz FUPLSFFQMNIDFO-LLVKDONJSA-N 2 2 267.442 3.154 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423211141 372032874 /nfs/dbraw/zinc/03/28/74/372032874.db2.gz HZWLYGDDRSQTJR-BBRMVZONSA-N 2 2 258.365 3.081 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423215771 372036033 /nfs/dbraw/zinc/03/60/33/372036033.db2.gz OUQXKNOYZMPFSY-AEFFLSMTSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423218626 372037559 /nfs/dbraw/zinc/03/75/59/372037559.db2.gz SCXUDRRZPCXWLQ-UGSOOPFHSA-N 2 2 281.403 3.025 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423235944 372041842 /nfs/dbraw/zinc/04/18/42/372041842.db2.gz NSZDEQOEHZGPHC-NHYWBVRUSA-N 2 2 264.800 3.059 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000423226101 372042564 /nfs/dbraw/zinc/04/25/64/372042564.db2.gz PKIYGABGRAAWSE-CYBMUJFWSA-N 2 2 274.330 3.212 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000423330860 372051693 /nfs/dbraw/zinc/05/16/93/372051693.db2.gz MFLXKYHVZACBAC-GOSISDBHSA-N 2 2 290.451 3.052 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423335689 372052817 /nfs/dbraw/zinc/05/28/17/372052817.db2.gz UCUCFHYWNFEXKT-IAQYHMDHSA-N 2 2 260.381 3.457 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)c2sccc21 ZINC000423368583 372056267 /nfs/dbraw/zinc/05/62/67/372056267.db2.gz SBZYHNSTPHDCMX-MHDGFBEUSA-N 2 2 264.438 3.274 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423385241 372058680 /nfs/dbraw/zinc/05/86/80/372058680.db2.gz QRVNLNQRXHHBEC-JFGNBEQYSA-N 2 2 270.467 3.261 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000423390878 372058767 /nfs/dbraw/zinc/05/87/67/372058767.db2.gz WIYLQQUIFNKEIH-GHMZBOCLSA-N 2 2 269.458 3.224 20 0 CGADLP c1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423177942 372006191 /nfs/dbraw/zinc/00/61/91/372006191.db2.gz BJDIPRJWQHMMFZ-DLBZAZTESA-N 2 2 258.409 3.260 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423187707 372014536 /nfs/dbraw/zinc/01/45/36/372014536.db2.gz PEQYTFVRSNMFDV-GFCCVEGCSA-N 2 2 287.432 3.213 20 0 CGADLP CC1CC[NH+](c2ccc(NCc3c[nH+]cn3C)cc2)CC1 ZINC000158263732 372062908 /nfs/dbraw/zinc/06/29/08/372062908.db2.gz OFTYTEXSUQXIOX-UHFFFAOYSA-N 2 2 284.407 3.269 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423444197 372063787 /nfs/dbraw/zinc/06/37/87/372063787.db2.gz XOJCORGNUSBGOB-RTBURBONSA-N 2 2 295.430 3.399 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423451088 372065422 /nfs/dbraw/zinc/06/54/22/372065422.db2.gz UTCQGPKHSMGRFP-AEJSXWLSSA-N 2 2 269.458 3.135 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543930 372072816 /nfs/dbraw/zinc/07/28/16/372072816.db2.gz CMAZLAQJYJHOLY-SUMWQHHRSA-N 2 2 283.419 3.277 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360437 372084180 /nfs/dbraw/zinc/08/41/80/372084180.db2.gz WEVRQNYQEIJXKE-FAYQHZLMSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360437 372084182 /nfs/dbraw/zinc/08/41/82/372084182.db2.gz WEVRQNYQEIJXKE-FAYQHZLMSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000291003739 372092917 /nfs/dbraw/zinc/09/29/17/372092917.db2.gz BCMYJXPCCXARPD-CYBMUJFWSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000291003739 372092920 /nfs/dbraw/zinc/09/29/20/372092920.db2.gz BCMYJXPCCXARPD-CYBMUJFWSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427869456 372177196 /nfs/dbraw/zinc/17/71/96/372177196.db2.gz SDOBUIXVSQRHSH-ROUUACIJSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877551 372177235 /nfs/dbraw/zinc/17/72/35/372177235.db2.gz XYEXFUGYBMHPAL-FMKPAKJESA-N 2 2 281.403 3.344 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000159315003 372131038 /nfs/dbraw/zinc/13/10/38/372131038.db2.gz HCOCLUSSTYPWFR-LBPRGKRZSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(O)c1 ZINC000428565724 372233754 /nfs/dbraw/zinc/23/37/54/372233754.db2.gz KZKSRGZRTVJSIX-GFCCVEGCSA-N 2 2 299.399 3.490 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)c2)c[nH+]1 ZINC000428452534 372205367 /nfs/dbraw/zinc/20/53/67/372205367.db2.gz LUDARZDQZGVYAS-WFASDCNBSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)c2)c[nH+]1 ZINC000428452534 372205371 /nfs/dbraw/zinc/20/53/71/372205371.db2.gz LUDARZDQZGVYAS-WFASDCNBSA-N 2 2 273.405 3.308 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000428962422 372292072 /nfs/dbraw/zinc/29/20/72/372292072.db2.gz AJYRHUWLEUCGLQ-UHFFFAOYSA-N 2 2 279.428 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000428962422 372292078 /nfs/dbraw/zinc/29/20/78/372292078.db2.gz AJYRHUWLEUCGLQ-UHFFFAOYSA-N 2 2 279.428 3.024 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1C ZINC000040672514 541870545 /nfs/dbraw/zinc/87/05/45/541870545.db2.gz NEUYPDSVMMWBIH-JKSUJKDBSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000040672514 541870550 /nfs/dbraw/zinc/87/05/50/541870550.db2.gz NEUYPDSVMMWBIH-JKSUJKDBSA-N 2 2 260.425 3.357 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161141108 372304138 /nfs/dbraw/zinc/30/41/38/372304138.db2.gz WHEMSNBYFRXMHL-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000161141108 372304142 /nfs/dbraw/zinc/30/41/42/372304142.db2.gz WHEMSNBYFRXMHL-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000429025308 372305342 /nfs/dbraw/zinc/30/53/42/372305342.db2.gz YFZVCMQLWSSNOG-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000429025308 372305346 /nfs/dbraw/zinc/30/53/46/372305346.db2.gz YFZVCMQLWSSNOG-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(Cl)c1 ZINC000429025308 372305349 /nfs/dbraw/zinc/30/53/49/372305349.db2.gz YFZVCMQLWSSNOG-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(Cl)c1 ZINC000429025308 372305352 /nfs/dbraw/zinc/30/53/52/372305352.db2.gz YFZVCMQLWSSNOG-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142282 372306169 /nfs/dbraw/zinc/30/61/69/372306169.db2.gz NAVSTRYOQSBVKP-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142282 372306174 /nfs/dbraw/zinc/30/61/74/372306174.db2.gz NAVSTRYOQSBVKP-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1nc2ccccc2o1 ZINC000161927076 372361413 /nfs/dbraw/zinc/36/14/13/372361413.db2.gz DWPHBRPAAFUDKW-UHFFFAOYSA-N 2 2 287.407 3.136 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1nc2ccccc2o1 ZINC000161927076 372361418 /nfs/dbraw/zinc/36/14/18/372361418.db2.gz DWPHBRPAAFUDKW-UHFFFAOYSA-N 2 2 287.407 3.136 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000344343486 217161075 /nfs/dbraw/zinc/16/10/75/217161075.db2.gz CYXQZXNHUBXRJN-BXUZGUMPSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@H+]1C ZINC000344343486 217161076 /nfs/dbraw/zinc/16/10/76/217161076.db2.gz CYXQZXNHUBXRJN-BXUZGUMPSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175421 372450907 /nfs/dbraw/zinc/45/09/07/372450907.db2.gz KMAVOEBCPIVXOX-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175421 372450911 /nfs/dbraw/zinc/45/09/11/372450911.db2.gz KMAVOEBCPIVXOX-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183791 372451437 /nfs/dbraw/zinc/45/14/37/372451437.db2.gz QNGZTGOYENJVRJ-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183791 372451440 /nfs/dbraw/zinc/45/14/40/372451440.db2.gz QNGZTGOYENJVRJ-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252726 372456916 /nfs/dbraw/zinc/45/69/16/372456916.db2.gz NQUPKGYQYZFPMM-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252726 372456923 /nfs/dbraw/zinc/45/69/23/372456923.db2.gz NQUPKGYQYZFPMM-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP Clc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000293893723 372514586 /nfs/dbraw/zinc/51/45/86/372514586.db2.gz WBPHJISVDLCUMK-MRXNPFEDSA-N 2 2 289.810 3.147 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294197053 372610992 /nfs/dbraw/zinc/61/09/92/372610992.db2.gz KPJJVYRXEMBNLP-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294197053 372610996 /nfs/dbraw/zinc/61/09/96/372610996.db2.gz KPJJVYRXEMBNLP-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000167871628 372605171 /nfs/dbraw/zinc/60/51/71/372605171.db2.gz ITFPIQCIKRSVLW-RDJZCZTQSA-N 2 2 292.467 3.376 20 0 CGADLP C([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCCCC1 ZINC000434793652 372711243 /nfs/dbraw/zinc/71/12/43/372711243.db2.gz LNZSCUNNNOYCDK-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCCCC1 ZINC000434793652 372711249 /nfs/dbraw/zinc/71/12/49/372711249.db2.gz LNZSCUNNNOYCDK-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000295384711 372758176 /nfs/dbraw/zinc/75/81/76/372758176.db2.gz KSIUGVVUZAPOIT-ZDUSSCGKSA-N 2 2 259.397 3.291 20 0 CGADLP CC(C)Cc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000353434608 220080035 /nfs/dbraw/zinc/08/00/35/220080035.db2.gz KAMZKCHGKITMQJ-OAHLLOKOSA-N 2 2 271.408 3.432 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592121 217242719 /nfs/dbraw/zinc/24/27/19/217242719.db2.gz LGUTUKLEYSZLGL-BBWFWOEESA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592121 217242720 /nfs/dbraw/zinc/24/27/20/217242720.db2.gz LGUTUKLEYSZLGL-BBWFWOEESA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592121 217242722 /nfs/dbraw/zinc/24/27/22/217242722.db2.gz LGUTUKLEYSZLGL-BBWFWOEESA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592121 217242725 /nfs/dbraw/zinc/24/27/25/217242725.db2.gz LGUTUKLEYSZLGL-BBWFWOEESA-N 2 2 282.472 3.140 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000171692882 372808322 /nfs/dbraw/zinc/80/83/22/372808322.db2.gz NRCXWLKAMFVTPL-UHFFFAOYSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790834 372809449 /nfs/dbraw/zinc/80/94/49/372809449.db2.gz NYQHPLXBHZYPBW-WBOJAVRRSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790834 372809461 /nfs/dbraw/zinc/80/94/61/372809461.db2.gz NYQHPLXBHZYPBW-WBOJAVRRSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441512 284354227 /nfs/dbraw/zinc/35/42/27/284354227.db2.gz HKCXYFZRUDGIPA-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441512 284354230 /nfs/dbraw/zinc/35/42/30/284354230.db2.gz HKCXYFZRUDGIPA-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441512 284354233 /nfs/dbraw/zinc/35/42/33/284354233.db2.gz HKCXYFZRUDGIPA-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC000245441512 284354236 /nfs/dbraw/zinc/35/42/36/284354236.db2.gz HKCXYFZRUDGIPA-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171942403 372861619 /nfs/dbraw/zinc/86/16/19/372861619.db2.gz RZWQDULNWNERQS-UHFFFAOYSA-N 2 2 255.365 3.029 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)ccc1F ZINC000353520666 220135530 /nfs/dbraw/zinc/13/55/30/220135530.db2.gz OMOPLNDXBKZYSB-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)ccc1F ZINC000353520666 220135532 /nfs/dbraw/zinc/13/55/32/220135532.db2.gz OMOPLNDXBKZYSB-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2CCC2)C1 ZINC000440061384 372983367 /nfs/dbraw/zinc/98/33/67/372983367.db2.gz JQNYRLQVGDTFMY-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2CCC2)C1 ZINC000440061384 372983370 /nfs/dbraw/zinc/98/33/70/372983370.db2.gz JQNYRLQVGDTFMY-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000440061384 372983377 /nfs/dbraw/zinc/98/33/77/372983377.db2.gz JQNYRLQVGDTFMY-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000440061384 372983383 /nfs/dbraw/zinc/98/33/83/372983383.db2.gz JQNYRLQVGDTFMY-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535125 220141776 /nfs/dbraw/zinc/14/17/76/220141776.db2.gz JZXDKIDGZNGTPA-ROUUACIJSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535125 220141778 /nfs/dbraw/zinc/14/17/78/220141778.db2.gz JZXDKIDGZNGTPA-ROUUACIJSA-N 2 2 288.410 3.445 20 0 CGADLP CC[NH+]1CCC(CCNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000172772744 373031209 /nfs/dbraw/zinc/03/12/09/373031209.db2.gz AEBOVLGSZMOKHP-UHFFFAOYSA-N 2 2 276.428 3.134 20 0 CGADLP CC(F)(F)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000296074520 373014629 /nfs/dbraw/zinc/01/46/29/373014629.db2.gz QBSDNYBACFHZTN-UHFFFAOYSA-N 2 2 279.334 3.397 20 0 CGADLP FC(F)C1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000442708468 373066589 /nfs/dbraw/zinc/06/65/89/373066589.db2.gz JIPSXSPCRSLBDA-UHFFFAOYSA-N 2 2 274.399 3.276 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@@H+]1C ZINC000172848265 373046145 /nfs/dbraw/zinc/04/61/45/373046145.db2.gz GOTIDURGPQBNLL-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@H+]1C ZINC000172848265 373046151 /nfs/dbraw/zinc/04/61/51/373046151.db2.gz GOTIDURGPQBNLL-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848265 373046158 /nfs/dbraw/zinc/04/61/58/373046158.db2.gz GOTIDURGPQBNLL-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848265 373046162 /nfs/dbraw/zinc/04/61/62/373046162.db2.gz GOTIDURGPQBNLL-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCCOCC1 ZINC000442868466 373111876 /nfs/dbraw/zinc/11/18/76/373111876.db2.gz NVZRCMNJXGTTNR-QGZVFWFLSA-N 2 2 294.483 3.191 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561812 220158072 /nfs/dbraw/zinc/15/80/72/220158072.db2.gz ASGSWSAKZAXLLP-BLLLJJGKSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561812 220158074 /nfs/dbraw/zinc/15/80/74/220158074.db2.gz ASGSWSAKZAXLLP-BLLLJJGKSA-N 2 2 286.444 3.474 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000443009936 373142094 /nfs/dbraw/zinc/14/20/94/373142094.db2.gz MENQAOWMEBHGJR-GFCCVEGCSA-N 2 2 297.324 3.389 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)co2)cc1 ZINC000353574016 220166901 /nfs/dbraw/zinc/16/69/01/220166901.db2.gz ZCFNHHSODQVZAF-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)co2)cc1 ZINC000353574016 220166902 /nfs/dbraw/zinc/16/69/02/220166902.db2.gz ZCFNHHSODQVZAF-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP CC[N@H+](CC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391132 373307140 /nfs/dbraw/zinc/30/71/40/373307140.db2.gz YYYNORJXIKQLRN-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP CC[N@@H+](CC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391132 373307144 /nfs/dbraw/zinc/30/71/44/373307144.db2.gz YYYNORJXIKQLRN-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446976680 373389551 /nfs/dbraw/zinc/38/95/51/373389551.db2.gz IRRBFNXGHYXCOG-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446976680 373389555 /nfs/dbraw/zinc/38/95/55/373389555.db2.gz IRRBFNXGHYXCOG-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447590486 373459676 /nfs/dbraw/zinc/45/96/76/373459676.db2.gz CVDBKFNVNWCJFB-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447590486 373459683 /nfs/dbraw/zinc/45/96/83/373459683.db2.gz CVDBKFNVNWCJFB-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032252 373541000 /nfs/dbraw/zinc/54/10/00/373541000.db2.gz WFCMDBDQFXQPFR-NEPJUHHUSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032252 373541002 /nfs/dbraw/zinc/54/10/02/373541002.db2.gz WFCMDBDQFXQPFR-NEPJUHHUSA-N 2 2 280.378 3.427 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)o1 ZINC000299753595 373610103 /nfs/dbraw/zinc/61/01/03/373610103.db2.gz YSPKXFXKLFLHIY-MRXNPFEDSA-N 2 2 299.418 3.419 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)o1 ZINC000299753595 373610107 /nfs/dbraw/zinc/61/01/07/373610107.db2.gz YSPKXFXKLFLHIY-MRXNPFEDSA-N 2 2 299.418 3.419 20 0 CGADLP Cc1cc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nc[nH+]1 ZINC000301221593 373696705 /nfs/dbraw/zinc/69/67/05/373696705.db2.gz BTCDJYBWEOZCHR-CQSZACIVSA-N 2 2 284.407 3.326 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442440 373719851 /nfs/dbraw/zinc/71/98/51/373719851.db2.gz YZETWQUSIOFTRW-JJRVBVJISA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442440 373719859 /nfs/dbraw/zinc/71/98/59/373719859.db2.gz YZETWQUSIOFTRW-JJRVBVJISA-N 2 2 258.409 3.038 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c[nH+]1 ZINC000449513377 373813908 /nfs/dbraw/zinc/81/39/08/373813908.db2.gz SGNKZLFMEQOQTO-MSOLQXFVSA-N 2 2 292.467 3.201 20 0 CGADLP Clc1c[nH+]ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301599718 373786511 /nfs/dbraw/zinc/78/65/11/373786511.db2.gz UOJFIGCRMDBESA-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP CO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)CC1(C)C ZINC000449495142 373789218 /nfs/dbraw/zinc/78/92/18/373789218.db2.gz CHGJWWNETCKHBC-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP CO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1(C)C ZINC000449495142 373789222 /nfs/dbraw/zinc/78/92/22/373789222.db2.gz CHGJWWNETCKHBC-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000301648726 373793887 /nfs/dbraw/zinc/79/38/87/373793887.db2.gz OWJRPJPROMQZPF-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000301648726 373793896 /nfs/dbraw/zinc/79/38/96/373793896.db2.gz OWJRPJPROMQZPF-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC2(F)F)c[nH+]1 ZINC000449499078 373796734 /nfs/dbraw/zinc/79/67/34/373796734.db2.gz SUHPQQCJKMLZAT-AWEZNQCLSA-N 2 2 268.351 3.348 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000302508404 373883632 /nfs/dbraw/zinc/88/36/32/373883632.db2.gz MQLJNSWSIZVZOI-CJNGLKHVSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000302508404 373883638 /nfs/dbraw/zinc/88/36/38/373883638.db2.gz MQLJNSWSIZVZOI-CJNGLKHVSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000449724561 373856254 /nfs/dbraw/zinc/85/62/54/373856254.db2.gz UEQHZLRMGUJIKX-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000449724561 373856259 /nfs/dbraw/zinc/85/62/59/373856259.db2.gz UEQHZLRMGUJIKX-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c3c(OC)cccc23)C1 ZINC000302409377 373864291 /nfs/dbraw/zinc/86/42/91/373864291.db2.gz GKHSFEDXMLTZOQ-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP CCC[N@H+]1CC[C@H](CNc2cc[nH+]c3c(OC)cccc23)C1 ZINC000302409377 373864297 /nfs/dbraw/zinc/86/42/97/373864297.db2.gz GKHSFEDXMLTZOQ-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)C2CCCCC2)CCC1 ZINC000353669839 220241597 /nfs/dbraw/zinc/24/15/97/220241597.db2.gz JIMUEVWLCVEKGT-OAHLLOKOSA-N 2 2 290.455 3.105 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1Cl ZINC000180422314 374001378 /nfs/dbraw/zinc/00/13/78/374001378.db2.gz CECGMVASTMYZDS-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359496 374080471 /nfs/dbraw/zinc/08/04/71/374080471.db2.gz GVJNYZINQAGAAQ-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359496 374080475 /nfs/dbraw/zinc/08/04/75/374080475.db2.gz GVJNYZINQAGAAQ-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CCCC1 ZINC000450341971 374070172 /nfs/dbraw/zinc/07/01/72/374070172.db2.gz OQFAEXWYNWIWPO-KRWDZBQOSA-N 2 2 262.441 3.437 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CCCC1 ZINC000450341971 374070176 /nfs/dbraw/zinc/07/01/76/374070176.db2.gz OQFAEXWYNWIWPO-KRWDZBQOSA-N 2 2 262.441 3.437 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSCC[C@H]1C ZINC000289510334 197384155 /nfs/dbraw/zinc/38/41/55/197384155.db2.gz DEBAVRQMCHCWAM-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSCC[C@H]1C ZINC000289510334 197384157 /nfs/dbraw/zinc/38/41/57/197384157.db2.gz DEBAVRQMCHCWAM-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP CC(C)C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450786127 374179239 /nfs/dbraw/zinc/17/92/39/374179239.db2.gz CUSKWRUSCSJETL-NJAFHUGGSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450786127 374179249 /nfs/dbraw/zinc/17/92/49/374179249.db2.gz CUSKWRUSCSJETL-NJAFHUGGSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450786127 374179258 /nfs/dbraw/zinc/17/92/58/374179258.db2.gz CUSKWRUSCSJETL-NJAFHUGGSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450786127 374179261 /nfs/dbraw/zinc/17/92/61/374179261.db2.gz CUSKWRUSCSJETL-NJAFHUGGSA-N 2 2 289.467 3.441 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000309736064 374194889 /nfs/dbraw/zinc/19/48/89/374194889.db2.gz QQJKQBKKYLAMLP-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000309736064 374194898 /nfs/dbraw/zinc/19/48/98/374194898.db2.gz QQJKQBKKYLAMLP-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(O)c1 ZINC000309806213 374197484 /nfs/dbraw/zinc/19/74/84/374197484.db2.gz LFANGQARMUTCCO-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(O)c1 ZINC000309806213 374197489 /nfs/dbraw/zinc/19/74/89/374197489.db2.gz LFANGQARMUTCCO-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984143 374188939 /nfs/dbraw/zinc/18/89/39/374188939.db2.gz UKYIWVJGSNIIOV-KSZLIROESA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984143 374188942 /nfs/dbraw/zinc/18/89/42/374188942.db2.gz UKYIWVJGSNIIOV-KSZLIROESA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984143 374188946 /nfs/dbraw/zinc/18/89/46/374188946.db2.gz UKYIWVJGSNIIOV-KSZLIROESA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCCCC[C@@H]1C[C@H](C)O ZINC000450984143 374188949 /nfs/dbraw/zinc/18/89/49/374188949.db2.gz UKYIWVJGSNIIOV-KSZLIROESA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000312170402 374271046 /nfs/dbraw/zinc/27/10/46/374271046.db2.gz OIUDPOMFCYPXGV-HNNXBMFYSA-N 2 2 275.440 3.322 20 0 CGADLP Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c[nH+]1 ZINC000182909955 374341757 /nfs/dbraw/zinc/34/17/57/374341757.db2.gz SWYSXWPWUBXHJF-KBXCAEBGSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c[nH+]1 ZINC000182909955 374341764 /nfs/dbraw/zinc/34/17/64/374341764.db2.gz SWYSXWPWUBXHJF-KBXCAEBGSA-N 2 2 296.418 3.108 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000328329003 374363362 /nfs/dbraw/zinc/36/33/62/374363362.db2.gz ITNGKKDHAILYBK-UHFFFAOYSA-N 2 2 296.842 3.257 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183127227 374376793 /nfs/dbraw/zinc/37/67/93/374376793.db2.gz PHLWVRKZUXRAHK-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183127227 374376800 /nfs/dbraw/zinc/37/68/00/374376800.db2.gz PHLWVRKZUXRAHK-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000183127227 374376816 /nfs/dbraw/zinc/37/68/16/374376816.db2.gz PHLWVRKZUXRAHK-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183127227 374376824 /nfs/dbraw/zinc/37/68/24/374376824.db2.gz PHLWVRKZUXRAHK-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000186313529 374832292 /nfs/dbraw/zinc/83/22/92/374832292.db2.gz YFDBYXFRPFOOKO-AWEZNQCLSA-N 2 2 261.413 3.442 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000462070684 374832446 /nfs/dbraw/zinc/83/24/46/374832446.db2.gz AMDWZEVKUPAUKH-NXHRZFHOSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000462070684 374832449 /nfs/dbraw/zinc/83/24/49/374832449.db2.gz AMDWZEVKUPAUKH-NXHRZFHOSA-N 2 2 274.452 3.470 20 0 CGADLP Cc1ccc(CS(=O)Cc2ccc(C)[nH+]c2C)c(C)[nH+]1 ZINC000187231407 374990989 /nfs/dbraw/zinc/99/09/89/374990989.db2.gz CZSJZOJUNJVSJQ-UHFFFAOYSA-N 2 2 288.416 3.159 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000472588415 375026297 /nfs/dbraw/zinc/02/62/97/375026297.db2.gz DPIBQZCBWDGUNA-UHFFFAOYSA-N 2 2 284.513 3.470 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000472588415 375026305 /nfs/dbraw/zinc/02/63/05/375026305.db2.gz DPIBQZCBWDGUNA-UHFFFAOYSA-N 2 2 284.513 3.470 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000187584386 375048035 /nfs/dbraw/zinc/04/80/35/375048035.db2.gz BGOIHCAQOBSQTI-ABAIWWIYSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000187584386 375048044 /nfs/dbraw/zinc/04/80/44/375048044.db2.gz BGOIHCAQOBSQTI-ABAIWWIYSA-N 2 2 284.806 3.299 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583425 375048776 /nfs/dbraw/zinc/04/87/76/375048776.db2.gz QKAWMYSUXDSDFK-JRPNMDOOSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583425 375048779 /nfs/dbraw/zinc/04/87/79/375048779.db2.gz QKAWMYSUXDSDFK-JRPNMDOOSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479559005 375153638 /nfs/dbraw/zinc/15/36/38/375153638.db2.gz SNFBRUIWCHIFNQ-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479559005 375153641 /nfs/dbraw/zinc/15/36/41/375153641.db2.gz SNFBRUIWCHIFNQ-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000480161806 375158027 /nfs/dbraw/zinc/15/80/27/375158027.db2.gz AGLWNJXKWUXQNP-USXIJHARSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000480161806 375158031 /nfs/dbraw/zinc/15/80/31/375158031.db2.gz AGLWNJXKWUXQNP-USXIJHARSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000188118312 375160580 /nfs/dbraw/zinc/16/05/80/375160580.db2.gz BVQYALVIONVVON-AWEZNQCLSA-N 2 2 287.382 3.244 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000487320581 375228495 /nfs/dbraw/zinc/22/84/95/375228495.db2.gz PPCWHGQDHDOCGQ-GXTWGEPZSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000487320581 375228504 /nfs/dbraw/zinc/22/85/04/375228504.db2.gz PPCWHGQDHDOCGQ-GXTWGEPZSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000188710341 375257392 /nfs/dbraw/zinc/25/73/92/375257392.db2.gz XKDHPIGZUPFLIY-UHFFFAOYSA-N 2 2 289.467 3.318 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000097928528 541995764 /nfs/dbraw/zinc/99/57/64/541995764.db2.gz WTEDJPCQBIFWKU-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910591 375534084 /nfs/dbraw/zinc/53/40/84/375534084.db2.gz WJULFCJJGKOUGA-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000335910591 375534088 /nfs/dbraw/zinc/53/40/88/375534088.db2.gz WJULFCJJGKOUGA-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000191216776 375596551 /nfs/dbraw/zinc/59/65/51/375596551.db2.gz ALFNWEUTFHBGGY-HZPDHXFCSA-N 2 2 296.480 3.026 20 0 CGADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191656947 375649829 /nfs/dbraw/zinc/64/98/29/375649829.db2.gz URHMWIMPGJGIIV-MRXNPFEDSA-N 2 2 293.370 3.207 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000191579858 375642109 /nfs/dbraw/zinc/64/21/09/375642109.db2.gz QHFHUOIIPPYEKU-OAHLLOKOSA-N 2 2 283.485 3.398 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000120796594 542013680 /nfs/dbraw/zinc/01/36/80/542013680.db2.gz LPJVQIVRWDISJZ-OAHLLOKOSA-N 2 2 293.480 3.367 20 0 CGADLP CCC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192132716 375701038 /nfs/dbraw/zinc/70/10/38/375701038.db2.gz MPZAFWWQNCDFBO-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CCC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192132716 375701042 /nfs/dbraw/zinc/70/10/42/375701042.db2.gz MPZAFWWQNCDFBO-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336196066 375756940 /nfs/dbraw/zinc/75/69/40/375756940.db2.gz OFMQGUAXCNRFBL-CYBMUJFWSA-N 2 2 283.366 3.415 20 0 CGADLP Cc1cc(NCc2[nH+]ccn2CCc2ccccc2)cc[nH+]1 ZINC000193468939 375884063 /nfs/dbraw/zinc/88/40/63/375884063.db2.gz WIZYOJWGOHAIIM-UHFFFAOYSA-N 2 2 292.386 3.441 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125853 375959328 /nfs/dbraw/zinc/95/93/28/375959328.db2.gz BMXRRJGTMYYFFQ-CQSZACIVSA-N 2 2 282.391 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000336704869 375912348 /nfs/dbraw/zinc/91/23/48/375912348.db2.gz HMLRBIBCSXFHCL-GDBMZVCRSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000336704869 375912354 /nfs/dbraw/zinc/91/23/54/375912354.db2.gz HMLRBIBCSXFHCL-GDBMZVCRSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336720487 375920147 /nfs/dbraw/zinc/92/01/47/375920147.db2.gz TXBCCAPEDZGDRR-VKJFTORMSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000336720487 375920154 /nfs/dbraw/zinc/92/01/54/375920154.db2.gz TXBCCAPEDZGDRR-VKJFTORMSA-N 2 2 272.436 3.428 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000535315021 376034966 /nfs/dbraw/zinc/03/49/66/376034966.db2.gz WCHOZFKKWGBCCB-CQSZACIVSA-N 2 2 287.432 3.002 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000535315021 376034968 /nfs/dbraw/zinc/03/49/68/376034968.db2.gz WCHOZFKKWGBCCB-CQSZACIVSA-N 2 2 287.432 3.002 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(O)c1 ZINC000194880677 376053829 /nfs/dbraw/zinc/05/38/29/376053829.db2.gz DBPAXEGBOOMLOR-CQSZACIVSA-N 2 2 285.391 3.330 20 0 CGADLP CC(C)[N@H+](Cc1ccccn1)Cc1cccc2[nH+]ccn21 ZINC000537205302 376154441 /nfs/dbraw/zinc/15/44/41/376154441.db2.gz ILOWNSNGKDLXLY-UHFFFAOYSA-N 2 2 280.375 3.140 20 0 CGADLP CC(C)[N@@H+](Cc1ccccn1)Cc1cccc2[nH+]ccn21 ZINC000537205302 376154447 /nfs/dbraw/zinc/15/44/47/376154447.db2.gz ILOWNSNGKDLXLY-UHFFFAOYSA-N 2 2 280.375 3.140 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+]3C)ccc2c1 ZINC000221154170 376212692 /nfs/dbraw/zinc/21/26/92/376212692.db2.gz OXGVKCYVRGAAGV-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@H+]3C)ccc2c1 ZINC000221154170 376212697 /nfs/dbraw/zinc/21/26/97/376212697.db2.gz OXGVKCYVRGAAGV-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337385516 376217737 /nfs/dbraw/zinc/21/77/37/376217737.db2.gz LAZVLWLAQRCLLR-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000538060351 376219807 /nfs/dbraw/zinc/21/98/07/376219807.db2.gz KOYWGDXVEVHFLY-WMZOPIPTSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000538060351 376219812 /nfs/dbraw/zinc/21/98/12/376219812.db2.gz KOYWGDXVEVHFLY-WMZOPIPTSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)(C)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337408003 376220289 /nfs/dbraw/zinc/22/02/89/376220289.db2.gz UCPBWYHOKQAXGB-UHFFFAOYSA-N 2 2 296.378 3.059 20 0 CGADLP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337406112 376220397 /nfs/dbraw/zinc/22/03/97/376220397.db2.gz JKLPARSYRJYBLT-BHYGNILZSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337406112 376220401 /nfs/dbraw/zinc/22/04/01/376220401.db2.gz JKLPARSYRJYBLT-BHYGNILZSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337406112 376220406 /nfs/dbraw/zinc/22/04/06/376220406.db2.gz JKLPARSYRJYBLT-BHYGNILZSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337406112 376220409 /nfs/dbraw/zinc/22/04/09/376220409.db2.gz JKLPARSYRJYBLT-BHYGNILZSA-N 2 2 275.440 3.195 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337501626 376226232 /nfs/dbraw/zinc/22/62/32/376226232.db2.gz BQBWRXILILRCPO-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337501626 376226240 /nfs/dbraw/zinc/22/62/40/376226240.db2.gz BQBWRXILILRCPO-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000226257795 376346082 /nfs/dbraw/zinc/34/60/82/376346082.db2.gz HZALVWHUWSBNRQ-CQSZACIVSA-N 2 2 255.365 3.008 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000226372766 376354843 /nfs/dbraw/zinc/35/48/43/376354843.db2.gz VAEFNQNTQLEUPY-KGLIPLIRSA-N 2 2 287.432 3.276 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000541589459 376464290 /nfs/dbraw/zinc/46/42/90/376464290.db2.gz VVAFZAUXWCLROT-INIZCTEOSA-N 2 2 262.441 3.187 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000541589459 376464295 /nfs/dbraw/zinc/46/42/95/376464295.db2.gz VVAFZAUXWCLROT-INIZCTEOSA-N 2 2 262.441 3.187 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+]C3CC(OC)C3)ccc2n1C1CC1 ZINC000338949757 376596588 /nfs/dbraw/zinc/59/65/88/376596588.db2.gz QZEZYPNHAHRZHB-UHFFFAOYSA-N 2 2 299.418 3.201 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000232750654 376587182 /nfs/dbraw/zinc/58/71/82/376587182.db2.gz SSUOPFLLEXQHGY-QAPCUYQASA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000232750654 376587191 /nfs/dbraw/zinc/58/71/91/376587191.db2.gz SSUOPFLLEXQHGY-QAPCUYQASA-N 2 2 274.452 3.499 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000543994512 376693320 /nfs/dbraw/zinc/69/33/20/376693320.db2.gz PZNUXYZFGUVPPW-FAEJEUNOSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC000543994512 376693330 /nfs/dbraw/zinc/69/33/30/376693330.db2.gz PZNUXYZFGUVPPW-FAEJEUNOSA-N 2 2 272.436 3.172 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000543995203 376693433 /nfs/dbraw/zinc/69/34/33/376693433.db2.gz YOSMDIAPFGMEPM-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000543995203 376693439 /nfs/dbraw/zinc/69/34/39/376693439.db2.gz YOSMDIAPFGMEPM-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000245705679 376888132 /nfs/dbraw/zinc/88/81/32/376888132.db2.gz RZUVNEVESSSUBI-HNAYVOBHSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000245705679 376888140 /nfs/dbraw/zinc/88/81/40/376888140.db2.gz RZUVNEVESSSUBI-HNAYVOBHSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245724057 376892042 /nfs/dbraw/zinc/89/20/42/376892042.db2.gz IMBRTRBMSINUEG-HOSILWTGSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245724057 376892049 /nfs/dbraw/zinc/89/20/49/376892049.db2.gz IMBRTRBMSINUEG-HOSILWTGSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245724057 376892057 /nfs/dbraw/zinc/89/20/57/376892057.db2.gz IMBRTRBMSINUEG-HOSILWTGSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245724057 376892063 /nfs/dbraw/zinc/89/20/63/376892063.db2.gz IMBRTRBMSINUEG-HOSILWTGSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)[N@H+](C)C1CC1 ZINC000556873950 376894861 /nfs/dbraw/zinc/89/48/61/376894861.db2.gz YKQJPDDHHFAZEW-QWHCGFSZSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)[N@@H+](C)C1CC1 ZINC000556873950 376894871 /nfs/dbraw/zinc/89/48/71/376894871.db2.gz YKQJPDDHHFAZEW-QWHCGFSZSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000245939495 376938900 /nfs/dbraw/zinc/93/89/00/376938900.db2.gz UOSWZSBSNDJIJB-RWMBFGLXSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340391645 377033511 /nfs/dbraw/zinc/03/35/11/377033511.db2.gz IACYKYBJVVBXRI-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340391645 377033519 /nfs/dbraw/zinc/03/35/19/377033519.db2.gz IACYKYBJVVBXRI-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518928 377115741 /nfs/dbraw/zinc/11/57/41/377115741.db2.gz JZVKYAUEJGQDHP-ZOBUZTSGSA-N 2 2 290.451 3.053 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518928 377115747 /nfs/dbraw/zinc/11/57/47/377115747.db2.gz JZVKYAUEJGQDHP-ZOBUZTSGSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000560065520 377116970 /nfs/dbraw/zinc/11/69/70/377116970.db2.gz PMAMRNDLTUHSAN-UHFFFAOYSA-N 2 2 289.810 3.471 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246564952 377053627 /nfs/dbraw/zinc/05/36/27/377053627.db2.gz XMCFRMVIEGXAAP-CHWSQXEVSA-N 2 2 293.480 3.014 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246564952 377053634 /nfs/dbraw/zinc/05/36/34/377053634.db2.gz XMCFRMVIEGXAAP-CHWSQXEVSA-N 2 2 293.480 3.014 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000558921327 377054971 /nfs/dbraw/zinc/05/49/71/377054971.db2.gz YSEOYRUJDBCRFP-BQFCYCMXSA-N 2 2 296.499 3.290 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246953303 377127132 /nfs/dbraw/zinc/12/71/32/377127132.db2.gz ILIOHYFAVMXCGS-SLEUVZQESA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246953303 377127137 /nfs/dbraw/zinc/12/71/37/377127137.db2.gz ILIOHYFAVMXCGS-SLEUVZQESA-N 2 2 296.842 3.167 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594139 377161863 /nfs/dbraw/zinc/16/18/63/377161863.db2.gz LVKKSZCSEZGDME-ZBFHGGJFSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594139 377161871 /nfs/dbraw/zinc/16/18/71/377161871.db2.gz LVKKSZCSEZGDME-ZBFHGGJFSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000247593158 377228143 /nfs/dbraw/zinc/22/81/43/377228143.db2.gz MQGXFODGFIWMCI-IUODEOHRSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000247593158 377228149 /nfs/dbraw/zinc/22/81/49/377228149.db2.gz MQGXFODGFIWMCI-IUODEOHRSA-N 2 2 291.345 3.244 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000247944566 377246724 /nfs/dbraw/zinc/24/67/24/377246724.db2.gz HFFVLPKSMVBQDF-ZFWWWQNUSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000247944566 377246732 /nfs/dbraw/zinc/24/67/32/377246732.db2.gz HFFVLPKSMVBQDF-ZFWWWQNUSA-N 2 2 294.439 3.437 20 0 CGADLP C[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000561981022 377259065 /nfs/dbraw/zinc/25/90/65/377259065.db2.gz SOJIMYRISMUMFG-CYBMUJFWSA-N 2 2 278.827 3.224 20 0 CGADLP C[C@H](C[N@H+]1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000561981022 377259070 /nfs/dbraw/zinc/25/90/70/377259070.db2.gz SOJIMYRISMUMFG-CYBMUJFWSA-N 2 2 278.827 3.224 20 0 CGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000562281540 377290184 /nfs/dbraw/zinc/29/01/84/377290184.db2.gz YRBVOUWFIDSSHD-INIZCTEOSA-N 2 2 285.391 3.036 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249068030 377454675 /nfs/dbraw/zinc/45/46/75/377454675.db2.gz JQGSYBPJULSRKM-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000249068030 377454678 /nfs/dbraw/zinc/45/46/78/377454678.db2.gz JQGSYBPJULSRKM-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000563422157 377461513 /nfs/dbraw/zinc/46/15/13/377461513.db2.gz ZCYZBBXEEQEFCF-OAHLLOKOSA-N 2 2 276.330 3.414 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313303377 249090677 /nfs/dbraw/zinc/09/06/77/249090677.db2.gz QLNNBYZCPQRIGX-LBPRGKRZSA-N 2 2 275.421 3.035 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000249795090 377534630 /nfs/dbraw/zinc/53/46/30/377534630.db2.gz FIVWOAOHCUINFH-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000249795090 377534634 /nfs/dbraw/zinc/53/46/34/377534634.db2.gz FIVWOAOHCUINFH-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP CCC[N@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC000470014635 249166308 /nfs/dbraw/zinc/16/63/08/249166308.db2.gz DEBAVFQPJMIMGX-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC000470014635 249166310 /nfs/dbraw/zinc/16/63/10/249166310.db2.gz DEBAVFQPJMIMGX-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573815133 377581974 /nfs/dbraw/zinc/58/19/74/377581974.db2.gz MBTNUVOHABROQX-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]2CC2(C)C)cc1 ZINC000515470179 249212637 /nfs/dbraw/zinc/21/26/37/249212637.db2.gz LOFKQAQMEZZBRQ-XYPHTWIQSA-N 2 2 290.451 3.322 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000515586688 249215932 /nfs/dbraw/zinc/21/59/32/249215932.db2.gz ODYWECHYTQJTCW-NVXWUHKLSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000515586688 249215934 /nfs/dbraw/zinc/21/59/34/249215934.db2.gz ODYWECHYTQJTCW-NVXWUHKLSA-N 2 2 281.403 3.287 20 0 CGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251613482 377590548 /nfs/dbraw/zinc/59/05/48/377590548.db2.gz DOSIVEWJMVTWJR-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251613482 377590555 /nfs/dbraw/zinc/59/05/55/377590555.db2.gz DOSIVEWJMVTWJR-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP Cc1ccccc1OCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265551283 190189473 /nfs/dbraw/zinc/18/94/73/190189473.db2.gz YVGRRWKZQOIUFN-UHFFFAOYSA-N 2 2 299.418 3.367 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000517263165 249261178 /nfs/dbraw/zinc/26/11/78/249261178.db2.gz YSWLHBSNVCOKDZ-NEPJUHHUSA-N 2 2 299.256 3.092 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000573863803 377587901 /nfs/dbraw/zinc/58/79/01/377587901.db2.gz YYPIMXKFBZHCPS-LLVKDONJSA-N 2 2 275.421 3.301 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251580711 377588680 /nfs/dbraw/zinc/58/86/80/377588680.db2.gz CJGKUELGTJBQDD-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251580711 377588687 /nfs/dbraw/zinc/58/86/87/377588687.db2.gz CJGKUELGTJBQDD-GYSYKLTISA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251764680 377597765 /nfs/dbraw/zinc/59/77/65/377597765.db2.gz MAUIOFJQHINBSZ-RULNRJAQSA-N 2 2 270.779 3.209 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251764680 377597775 /nfs/dbraw/zinc/59/77/75/377597775.db2.gz MAUIOFJQHINBSZ-RULNRJAQSA-N 2 2 270.779 3.209 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000518933923 249289184 /nfs/dbraw/zinc/28/91/84/249289184.db2.gz NJJUQFFOCXQHHY-CYBMUJFWSA-N 2 2 279.453 3.032 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180547330 542211693 /nfs/dbraw/zinc/21/16/93/542211693.db2.gz PGOXOSMWGGZPEI-RHSMWYFYSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000180547330 542211695 /nfs/dbraw/zinc/21/16/95/542211695.db2.gz PGOXOSMWGGZPEI-RHSMWYFYSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180547312 542212301 /nfs/dbraw/zinc/21/23/01/542212301.db2.gz PGOXOSMWGGZPEI-YOEHRIQHSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000180547312 542212303 /nfs/dbraw/zinc/21/23/03/542212303.db2.gz PGOXOSMWGGZPEI-YOEHRIQHSA-N 2 2 298.434 3.033 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252744594 377662043 /nfs/dbraw/zinc/66/20/43/377662043.db2.gz OCVRFRWRZRMLNE-STQMWFEESA-N 2 2 282.790 3.196 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252744594 377662049 /nfs/dbraw/zinc/66/20/49/377662049.db2.gz OCVRFRWRZRMLNE-STQMWFEESA-N 2 2 282.790 3.196 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000342576281 377669389 /nfs/dbraw/zinc/66/93/89/377669389.db2.gz LGRWWDNMWQGFHP-QZTJIDSGSA-N 2 2 295.430 3.117 20 0 CGADLP CCC1CC([NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000342699825 377743286 /nfs/dbraw/zinc/74/32/86/377743286.db2.gz PYVVUJZYLMXJCN-KSTDHSDQSA-N 2 2 272.436 3.211 20 0 CGADLP CCC1CC([NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000342699825 377743289 /nfs/dbraw/zinc/74/32/89/377743289.db2.gz PYVVUJZYLMXJCN-KSTDHSDQSA-N 2 2 272.436 3.211 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261692271 377839625 /nfs/dbraw/zinc/83/96/25/377839625.db2.gz HNXJWFHVUDCDTD-YOEHRIQHSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261692271 377839637 /nfs/dbraw/zinc/83/96/37/377839637.db2.gz HNXJWFHVUDCDTD-YOEHRIQHSA-N 2 2 294.389 3.004 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000261567549 377817898 /nfs/dbraw/zinc/81/78/98/377817898.db2.gz IRHJDXPBSKTPKY-DUFXMDAXSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000261567549 377817903 /nfs/dbraw/zinc/81/79/03/377817903.db2.gz IRHJDXPBSKTPKY-DUFXMDAXSA-N 2 2 285.218 3.163 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578774 377821279 /nfs/dbraw/zinc/82/12/79/377821279.db2.gz PBFAURAHJCREOJ-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578774 377821283 /nfs/dbraw/zinc/82/12/83/377821283.db2.gz PBFAURAHJCREOJ-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581616 377821567 /nfs/dbraw/zinc/82/15/67/377821567.db2.gz QUVBVLMYCNHVKM-NXEZZACHSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581616 377821574 /nfs/dbraw/zinc/82/15/74/377821574.db2.gz QUVBVLMYCNHVKM-NXEZZACHSA-N 2 2 260.303 3.045 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000261584126 377824270 /nfs/dbraw/zinc/82/42/70/377824270.db2.gz SCSBVOKDQZDMPL-COPLHBTASA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000261584126 377824278 /nfs/dbraw/zinc/82/42/78/377824278.db2.gz SCSBVOKDQZDMPL-COPLHBTASA-N 2 2 285.218 3.163 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261905644 377865905 /nfs/dbraw/zinc/86/59/05/377865905.db2.gz WZEDFDDGSXWGML-GUYCJALGSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261905644 377865909 /nfs/dbraw/zinc/86/59/09/377865909.db2.gz WZEDFDDGSXWGML-GUYCJALGSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@H]1[NH3+] ZINC000261985342 377876647 /nfs/dbraw/zinc/87/66/47/377876647.db2.gz JSEORVGQAIPCMP-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@H]1[NH3+] ZINC000261985342 377876653 /nfs/dbraw/zinc/87/66/53/377876653.db2.gz JSEORVGQAIPCMP-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@@H]12 ZINC000262010920 377877893 /nfs/dbraw/zinc/87/78/93/377877893.db2.gz VAFJHMAMHKJEQC-FXBDTBDDSA-N 2 2 291.247 3.224 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@@H]12 ZINC000262010920 377877897 /nfs/dbraw/zinc/87/78/97/377877897.db2.gz VAFJHMAMHKJEQC-FXBDTBDDSA-N 2 2 291.247 3.224 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012376 377878118 /nfs/dbraw/zinc/87/81/18/377878118.db2.gz VEULWZHXHQKVQR-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012376 377878127 /nfs/dbraw/zinc/87/81/27/377878127.db2.gz VEULWZHXHQKVQR-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2s1 ZINC000262017886 377879746 /nfs/dbraw/zinc/87/97/46/377879746.db2.gz MYELAHSUBCSDCH-NHYWBVRUSA-N 2 2 289.448 3.306 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2s1 ZINC000262017886 377879750 /nfs/dbraw/zinc/87/97/50/377879750.db2.gz MYELAHSUBCSDCH-NHYWBVRUSA-N 2 2 289.448 3.306 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1[NH3+] ZINC000262038067 377882609 /nfs/dbraw/zinc/88/26/09/377882609.db2.gz OUQDWEVFBDIXHJ-KBXCAEBGSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1[NH3+] ZINC000262038067 377882616 /nfs/dbraw/zinc/88/26/16/377882616.db2.gz OUQDWEVFBDIXHJ-KBXCAEBGSA-N 2 2 266.388 3.133 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261855784 377860597 /nfs/dbraw/zinc/86/05/97/377860597.db2.gz TZHQCQDZIAJAJB-XJKSGUPXSA-N 2 2 296.817 3.210 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261855784 377860603 /nfs/dbraw/zinc/86/06/03/377860603.db2.gz TZHQCQDZIAJAJB-XJKSGUPXSA-N 2 2 296.817 3.210 20 0 CGADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000343206708 377929996 /nfs/dbraw/zinc/92/99/96/377929996.db2.gz NUWJVTBHAQQTEW-JSGCOSHPSA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000343206708 377930001 /nfs/dbraw/zinc/93/00/01/377930001.db2.gz NUWJVTBHAQQTEW-JSGCOSHPSA-N 2 2 288.391 3.014 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000268819544 378121340 /nfs/dbraw/zinc/12/13/40/378121340.db2.gz NOCDUINCVOJWIY-UONOGXRCSA-N 2 2 280.375 3.171 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344008849 378152822 /nfs/dbraw/zinc/15/28/22/378152822.db2.gz ZMUZTWQUDLATQU-DJIMGWMZSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344008849 378152827 /nfs/dbraw/zinc/15/28/27/378152827.db2.gz ZMUZTWQUDLATQU-DJIMGWMZSA-N 2 2 260.425 3.285 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C12CCC2 ZINC000344113814 378158992 /nfs/dbraw/zinc/15/89/92/378158992.db2.gz MTZRKHOIJGHKCU-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000345048586 378182797 /nfs/dbraw/zinc/18/27/97/378182797.db2.gz DNGKTHZJJYNZDO-HFTRVMKXSA-N 2 2 285.435 3.219 20 0 CGADLP c1cc2[nH+]ccc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2s1 ZINC000269856815 378274079 /nfs/dbraw/zinc/27/40/79/378274079.db2.gz HLDCVRGUMABJNI-GFCCVEGCSA-N 2 2 296.399 3.382 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1C ZINC000584540889 378394271 /nfs/dbraw/zinc/39/42/71/378394271.db2.gz ONPOYXPONFOFCU-AEFFLSMTSA-N 2 2 283.419 3.230 20 0 CGADLP CCOc1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)C)cc1 ZINC000270828483 378403204 /nfs/dbraw/zinc/40/32/04/378403204.db2.gz KVPZOXFEQXIQID-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CCOc1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)C)cc1 ZINC000270828483 378403208 /nfs/dbraw/zinc/40/32/08/378403208.db2.gz KVPZOXFEQXIQID-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000270839989 378404193 /nfs/dbraw/zinc/40/41/93/378404193.db2.gz NGHFSNWXRXDEFC-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000270839989 378404196 /nfs/dbraw/zinc/40/41/96/378404196.db2.gz NGHFSNWXRXDEFC-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000270904557 378412172 /nfs/dbraw/zinc/41/21/72/378412172.db2.gz RTZVJEWWCSERKM-HNNXBMFYSA-N 2 2 275.783 3.292 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000270904557 378412178 /nfs/dbraw/zinc/41/21/78/378412178.db2.gz RTZVJEWWCSERKM-HNNXBMFYSA-N 2 2 275.783 3.292 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000270711949 378391808 /nfs/dbraw/zinc/39/18/08/378391808.db2.gz ZSYIRGFIRFGFED-UHFFFAOYSA-N 2 2 294.402 3.121 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000270711949 378391810 /nfs/dbraw/zinc/39/18/10/378391810.db2.gz ZSYIRGFIRFGFED-UHFFFAOYSA-N 2 2 294.402 3.121 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346144197 378480000 /nfs/dbraw/zinc/48/00/00/378480000.db2.gz CFNXWAASOVWRSI-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346144197 378480006 /nfs/dbraw/zinc/48/00/06/378480006.db2.gz CFNXWAASOVWRSI-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3[C@H](C)CC[C@H]3C)sc2C1 ZINC000346164298 378486640 /nfs/dbraw/zinc/48/66/40/378486640.db2.gz IGQNYBMOQPMKFN-CHWSQXEVSA-N 2 2 293.480 3.282 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3[C@H](C)CC[C@H]3C)sc2C1 ZINC000346164298 378486644 /nfs/dbraw/zinc/48/66/44/378486644.db2.gz IGQNYBMOQPMKFN-CHWSQXEVSA-N 2 2 293.480 3.282 20 0 CGADLP c1cn(-c2csc(C[NH+]3C[C@H]4CCC[C@@H]4C3)c2)c[nH+]1 ZINC000346192104 378499087 /nfs/dbraw/zinc/49/90/87/378499087.db2.gz CUPHZNCOTPKSRM-CHWSQXEVSA-N 2 2 273.405 3.166 20 0 CGADLP CO[C@@H](C)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000346195265 378499120 /nfs/dbraw/zinc/49/91/20/378499120.db2.gz HSGINQDJRBVTOM-ZDUSSCGKSA-N 2 2 293.436 3.179 20 0 CGADLP CO[C@@H](C)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000346195265 378499127 /nfs/dbraw/zinc/49/91/27/378499127.db2.gz HSGINQDJRBVTOM-ZDUSSCGKSA-N 2 2 293.436 3.179 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000346321234 378543310 /nfs/dbraw/zinc/54/33/10/378543310.db2.gz ZZSCQYQKXVKLIK-KRWDZBQOSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000346321234 378543315 /nfs/dbraw/zinc/54/33/15/378543315.db2.gz ZZSCQYQKXVKLIK-KRWDZBQOSA-N 2 2 283.419 3.317 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642426 378658133 /nfs/dbraw/zinc/65/81/33/378658133.db2.gz MDOCUSDJAYEDHU-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642426 378658136 /nfs/dbraw/zinc/65/81/36/378658136.db2.gz MDOCUSDJAYEDHU-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000637983981 378658199 /nfs/dbraw/zinc/65/81/99/378658199.db2.gz WLLZRCIVUIRZDU-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000638284712 378754919 /nfs/dbraw/zinc/75/49/19/378754919.db2.gz CRDFCETZAFVCFS-CVEARBPZSA-N 2 2 261.413 3.388 20 0 CGADLP Cc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348016570 378755433 /nfs/dbraw/zinc/75/54/33/378755433.db2.gz ZYFLBRBERSVAJO-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(F)F)nc1 ZINC000638167413 378720679 /nfs/dbraw/zinc/72/06/79/378720679.db2.gz DWJUFMZDUFRWDB-KGLIPLIRSA-N 2 2 295.377 3.078 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(F)F)nc1 ZINC000638167413 378720685 /nfs/dbraw/zinc/72/06/85/378720685.db2.gz DWJUFMZDUFRWDB-KGLIPLIRSA-N 2 2 295.377 3.078 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)F)nc1 ZINC000638167413 378720688 /nfs/dbraw/zinc/72/06/88/378720688.db2.gz DWJUFMZDUFRWDB-KGLIPLIRSA-N 2 2 295.377 3.078 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)F)nc1 ZINC000638167413 378720695 /nfs/dbraw/zinc/72/06/95/378720695.db2.gz DWJUFMZDUFRWDB-KGLIPLIRSA-N 2 2 295.377 3.078 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1(C)C ZINC000348049713 378765880 /nfs/dbraw/zinc/76/58/80/378765880.db2.gz XWLFPUMGZRASLX-NVXWUHKLSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000266182599 190238225 /nfs/dbraw/zinc/23/82/25/190238225.db2.gz GOXMKTYYHVSCIU-YOEHRIQHSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638370025 378780959 /nfs/dbraw/zinc/78/09/59/378780959.db2.gz HPNFCDLXTMQOJA-KBPBESRZSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274183570 378788946 /nfs/dbraw/zinc/78/89/46/378788946.db2.gz DQIJKSYRQWNKJU-JKSUJKDBSA-N 2 2 276.424 3.114 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000278484192 194005240 /nfs/dbraw/zinc/00/52/40/194005240.db2.gz AXFPTEVLLSIAAL-UHFFFAOYSA-N 2 2 296.201 3.424 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)C(F)(F)F ZINC000348175866 378824162 /nfs/dbraw/zinc/82/41/62/378824162.db2.gz SJQIEZQNWLQTCN-NSHDSACASA-N 2 2 260.303 3.111 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cs1 ZINC000346881610 218045975 /nfs/dbraw/zinc/04/59/75/218045975.db2.gz OAJBLRQCZMZZLT-STQMWFEESA-N 2 2 281.469 3.367 20 0 CGADLP Cc1ccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000346950153 218067489 /nfs/dbraw/zinc/06/74/89/218067489.db2.gz BTINODOKJKBWKY-MRXNPFEDSA-N 2 2 298.434 3.045 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000348358535 378926869 /nfs/dbraw/zinc/92/68/69/378926869.db2.gz LDESLFJLDVLHFR-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000348358535 378926873 /nfs/dbraw/zinc/92/68/73/378926873.db2.gz LDESLFJLDVLHFR-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)C ZINC000346975141 218074225 /nfs/dbraw/zinc/07/42/25/218074225.db2.gz UUKYBMLSDHUHDG-HOTGVXAUSA-N 2 2 290.455 3.068 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347050194 218104276 /nfs/dbraw/zinc/10/42/76/218104276.db2.gz QJYNRJOQBMMNCZ-MRXNPFEDSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347050194 218104278 /nfs/dbraw/zinc/10/42/78/218104278.db2.gz QJYNRJOQBMMNCZ-MRXNPFEDSA-N 2 2 297.402 3.105 20 0 CGADLP COc1ccc([C@H](CCC(C)C)[NH2+]CC[NH+](C)C)cc1 ZINC000348431549 378953665 /nfs/dbraw/zinc/95/36/65/378953665.db2.gz VKXZLLIXXTWTLF-KRWDZBQOSA-N 2 2 278.440 3.324 20 0 CGADLP CCC[N@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CC[NH2+]C1 ZINC000347121027 218129672 /nfs/dbraw/zinc/12/96/72/218129672.db2.gz ZOAASFBQWOZQKD-AWEZNQCLSA-N 2 2 276.355 3.146 20 0 CGADLP CCC[N@@H+](Cc1cc2cc(F)ccc2o1)[C@H]1CC[NH2+]C1 ZINC000347121027 218129674 /nfs/dbraw/zinc/12/96/74/218129674.db2.gz ZOAASFBQWOZQKD-AWEZNQCLSA-N 2 2 276.355 3.146 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000370423826 379018869 /nfs/dbraw/zinc/01/88/69/379018869.db2.gz WAFOJTIYBGBBEZ-RDJZCZTQSA-N 2 2 296.418 3.349 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000639115025 379038487 /nfs/dbraw/zinc/03/84/87/379038487.db2.gz ROWSSXYHCLBAOU-MRXNPFEDSA-N 2 2 298.386 3.052 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000347315757 218188464 /nfs/dbraw/zinc/18/84/64/218188464.db2.gz HTPNFNCNIUJDNH-IRXDYDNUSA-N 2 2 274.452 3.187 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000347315757 218188466 /nfs/dbraw/zinc/18/84/66/218188466.db2.gz HTPNFNCNIUJDNH-IRXDYDNUSA-N 2 2 274.452 3.187 20 0 CGADLP CC[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C(C)C ZINC000348832359 379071006 /nfs/dbraw/zinc/07/10/06/379071006.db2.gz IJFGNTHKMGOZDY-CQSZACIVSA-N 2 2 258.369 3.173 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639182261 379103440 /nfs/dbraw/zinc/10/34/40/379103440.db2.gz DRQSCGXLXXZNSG-UNEWFSDZSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](CF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639182261 379103453 /nfs/dbraw/zinc/10/34/53/379103453.db2.gz DRQSCGXLXXZNSG-UNEWFSDZSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149947 379172182 /nfs/dbraw/zinc/17/21/82/379172182.db2.gz MHNVFBDYWOYTKD-GDBMZVCRSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149947 379172187 /nfs/dbraw/zinc/17/21/87/379172187.db2.gz MHNVFBDYWOYTKD-GDBMZVCRSA-N 2 2 269.392 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000349178972 379178094 /nfs/dbraw/zinc/17/80/94/379178094.db2.gz BZOKOGCRTGWQJE-IKGGRYGDSA-N 2 2 281.403 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000349178972 379178104 /nfs/dbraw/zinc/17/81/04/379178104.db2.gz BZOKOGCRTGWQJE-IKGGRYGDSA-N 2 2 281.403 3.013 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CO2 ZINC000277519839 379180362 /nfs/dbraw/zinc/18/03/62/379180362.db2.gz SMEGCEFDRYVWDI-GOSISDBHSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CO2 ZINC000277519839 379180371 /nfs/dbraw/zinc/18/03/71/379180371.db2.gz SMEGCEFDRYVWDI-GOSISDBHSA-N 2 2 298.430 3.069 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)ccc1C)CCC2 ZINC000373204722 379241612 /nfs/dbraw/zinc/24/16/12/379241612.db2.gz SYNMTVNQDGGMRQ-CQSZACIVSA-N 2 2 287.382 3.306 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H](c1ccccc1)[NH+](C)C ZINC000349310519 379224848 /nfs/dbraw/zinc/22/48/48/379224848.db2.gz HJBUIZTXZIHXNX-BURFUSLBSA-N 2 2 290.451 3.083 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000373489746 379287947 /nfs/dbraw/zinc/28/79/47/379287947.db2.gz MMMWTAULUHZPMH-FNBIGBAISA-N 2 2 290.373 3.180 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000373489750 379288701 /nfs/dbraw/zinc/28/87/01/379288701.db2.gz MMMWTAULUHZPMH-GWMXKSKGSA-N 2 2 290.373 3.180 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000349404623 379267659 /nfs/dbraw/zinc/26/76/59/379267659.db2.gz FVLJBOZIRIKBKI-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000349404623 379267668 /nfs/dbraw/zinc/26/76/68/379267668.db2.gz FVLJBOZIRIKBKI-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000639378534 379337745 /nfs/dbraw/zinc/33/77/45/379337745.db2.gz HMQMZPBOMVOJSK-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccccc1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000347591749 218282520 /nfs/dbraw/zinc/28/25/20/218282520.db2.gz PCPAGANRLQGNIU-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1ccccc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000347591749 218282522 /nfs/dbraw/zinc/28/25/22/218282522.db2.gz PCPAGANRLQGNIU-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP CC[N@H+](Cc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347601910 218286173 /nfs/dbraw/zinc/28/61/73/218286173.db2.gz BJMRRLAMQFBRHI-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP CC[N@@H+](Cc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000347601910 218286175 /nfs/dbraw/zinc/28/61/75/218286175.db2.gz BJMRRLAMQFBRHI-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP Cc1cccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH+]1 ZINC000278613142 379403438 /nfs/dbraw/zinc/40/34/38/379403438.db2.gz FZGXWBJMGQHTHP-UHFFFAOYSA-N 2 2 296.418 3.307 20 0 CGADLP C[C@@H](CC1CCOCC1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000349972926 379465411 /nfs/dbraw/zinc/46/54/11/379465411.db2.gz USCNENUHCVHLAY-AWEZNQCLSA-N 2 2 291.439 3.042 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(C)[nH+]1 ZINC000639596085 379500393 /nfs/dbraw/zinc/50/03/93/379500393.db2.gz RQXXOBWGKREMNN-QGZVFWFLSA-N 2 2 288.435 3.398 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1 ZINC000639615339 379508166 /nfs/dbraw/zinc/50/81/66/379508166.db2.gz MTKGSIHGNVBYPH-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1 ZINC000639615339 379508174 /nfs/dbraw/zinc/50/81/74/379508174.db2.gz MTKGSIHGNVBYPH-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000347648095 218306318 /nfs/dbraw/zinc/30/63/18/218306318.db2.gz GSQZESTYOJWGAS-UHFFFAOYSA-N 2 2 295.430 3.145 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]1 ZINC000266959797 190293687 /nfs/dbraw/zinc/29/36/87/190293687.db2.gz WMJOEUPUTVUVNA-INIZCTEOSA-N 2 2 269.392 3.222 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCc3ccccc3)C2)[nH]1 ZINC000266959797 190293688 /nfs/dbraw/zinc/29/36/88/190293688.db2.gz WMJOEUPUTVUVNA-INIZCTEOSA-N 2 2 269.392 3.222 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000377263215 379657848 /nfs/dbraw/zinc/65/78/48/379657848.db2.gz VXXZQCQAGWBTON-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000377263215 379657856 /nfs/dbraw/zinc/65/78/56/379657856.db2.gz VXXZQCQAGWBTON-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000377400093 379671857 /nfs/dbraw/zinc/67/18/57/379671857.db2.gz PBCBEHLXALGZSN-GTNSWQLSSA-N 2 2 297.333 3.085 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000377726971 379730383 /nfs/dbraw/zinc/73/03/83/379730383.db2.gz QFUPLCUSOQXCJM-PBHICJAKSA-N 2 2 296.418 3.349 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377771075 379737284 /nfs/dbraw/zinc/73/72/84/379737284.db2.gz DDCOHOOTTNYBBG-MGPQQGTHSA-N 2 2 261.413 3.073 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377771075 379737286 /nfs/dbraw/zinc/73/72/86/379737286.db2.gz DDCOHOOTTNYBBG-MGPQQGTHSA-N 2 2 261.413 3.073 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798470 379743916 /nfs/dbraw/zinc/74/39/16/379743916.db2.gz IPBFXXLCJCGZHJ-OCCSQVGLSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798470 379743923 /nfs/dbraw/zinc/74/39/23/379743923.db2.gz IPBFXXLCJCGZHJ-OCCSQVGLSA-N 2 2 285.391 3.017 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000267271930 190316585 /nfs/dbraw/zinc/31/65/85/190316585.db2.gz MPONWTSQCVFKPX-QAPCUYQASA-N 2 2 284.403 3.280 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000267271930 190316586 /nfs/dbraw/zinc/31/65/86/190316586.db2.gz MPONWTSQCVFKPX-QAPCUYQASA-N 2 2 284.403 3.280 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000267292260 190318552 /nfs/dbraw/zinc/31/85/52/190318552.db2.gz RPLBNOYWGJRNHF-YJBOKZPZSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccoc1 ZINC000267292260 190318553 /nfs/dbraw/zinc/31/85/53/190318553.db2.gz RPLBNOYWGJRNHF-YJBOKZPZSA-N 2 2 284.403 3.280 20 0 CGADLP CO[C@]1(C)CCC[N@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000377634672 379711884 /nfs/dbraw/zinc/71/18/84/379711884.db2.gz YHSDKMVDZSXEPW-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000377634672 379711889 /nfs/dbraw/zinc/71/18/89/379711889.db2.gz YHSDKMVDZSXEPW-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000280658734 379758595 /nfs/dbraw/zinc/75/85/95/379758595.db2.gz OXFBXZYCZNCSFB-CSFVBSKPSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@H+]1C1CC1 ZINC000280658734 379758599 /nfs/dbraw/zinc/75/85/99/379758599.db2.gz OXFBXZYCZNCSFB-CSFVBSKPSA-N 2 2 288.410 3.287 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000281378239 379832377 /nfs/dbraw/zinc/83/23/77/379832377.db2.gz XBJGOSBKQYMWFL-HOTGVXAUSA-N 2 2 289.467 3.346 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000378490344 379833056 /nfs/dbraw/zinc/83/30/56/379833056.db2.gz DVULXEQXWHDVEZ-HNNXBMFYSA-N 2 2 287.382 3.292 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000378490344 379833062 /nfs/dbraw/zinc/83/30/62/379833062.db2.gz DVULXEQXWHDVEZ-HNNXBMFYSA-N 2 2 287.382 3.292 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2C(C)(C)C)s1 ZINC000347785454 218356417 /nfs/dbraw/zinc/35/64/17/218356417.db2.gz PWPJRGVEXCXZFL-ZDUSSCGKSA-N 2 2 281.469 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2C(C)(C)C)s1 ZINC000347785454 218356419 /nfs/dbraw/zinc/35/64/19/218356419.db2.gz PWPJRGVEXCXZFL-ZDUSSCGKSA-N 2 2 281.469 3.215 20 0 CGADLP COc1ccccc1CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378592547 379843890 /nfs/dbraw/zinc/84/38/90/379843890.db2.gz KYTKZFHUXAZDPA-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543246 379850287 /nfs/dbraw/zinc/85/02/87/379850287.db2.gz BTXSFZAVQFEBEG-UHFFFAOYSA-N 2 2 262.397 3.101 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000352543246 379850293 /nfs/dbraw/zinc/85/02/93/379850293.db2.gz BTXSFZAVQFEBEG-UHFFFAOYSA-N 2 2 262.397 3.101 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352604866 379873244 /nfs/dbraw/zinc/87/32/44/379873244.db2.gz DAEOKAHOIJERPP-WBAXXEDZSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352604866 379873251 /nfs/dbraw/zinc/87/32/51/379873251.db2.gz DAEOKAHOIJERPP-WBAXXEDZSA-N 2 2 272.436 3.302 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000389658059 379902888 /nfs/dbraw/zinc/90/28/88/379902888.db2.gz SNOQUVKMRPILHG-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C[N@H+]1C1CC1 ZINC000389658059 379902891 /nfs/dbraw/zinc/90/28/91/379902891.db2.gz SNOQUVKMRPILHG-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000495095720 535457702 /nfs/dbraw/zinc/45/77/02/535457702.db2.gz YMRMTWXNMSGXFK-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000495095720 535457705 /nfs/dbraw/zinc/45/77/05/535457705.db2.gz YMRMTWXNMSGXFK-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352812145 379974688 /nfs/dbraw/zinc/97/46/88/379974688.db2.gz ZLCIHCXDPMJECT-MAUKXSAKSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352812145 379974698 /nfs/dbraw/zinc/97/46/98/379974698.db2.gz ZLCIHCXDPMJECT-MAUKXSAKSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032481 379932703 /nfs/dbraw/zinc/93/27/03/379932703.db2.gz MLERZLBVDIDCCM-JTNHKYCSSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399055231 379935013 /nfs/dbraw/zinc/93/50/13/379935013.db2.gz WXKMCKLKTQISLH-SUNKGSAMSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000400532403 379950775 /nfs/dbraw/zinc/95/07/75/379950775.db2.gz SBOGKZSNSDAWGF-COPLHBTASA-N 2 2 284.350 3.079 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000400636785 379952974 /nfs/dbraw/zinc/95/29/74/379952974.db2.gz UAIICSKHUMNOOC-FUHWJXTLSA-N 2 2 290.451 3.086 20 0 CGADLP CCO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854833 218377761 /nfs/dbraw/zinc/37/77/61/218377761.db2.gz DGKLJFSSXJRNLU-SJORKVTESA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854833 218377764 /nfs/dbraw/zinc/37/77/64/218377764.db2.gz DGKLJFSSXJRNLU-SJORKVTESA-N 2 2 290.451 3.458 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000641744782 380073313 /nfs/dbraw/zinc/07/33/13/380073313.db2.gz YSIVFQYPSNIMFR-CQSZACIVSA-N 2 2 296.480 3.459 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000641744782 380073321 /nfs/dbraw/zinc/07/33/21/380073321.db2.gz YSIVFQYPSNIMFR-CQSZACIVSA-N 2 2 296.480 3.459 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410325446 380087110 /nfs/dbraw/zinc/08/71/10/380087110.db2.gz IPPXKSUBYHQYHK-CVEARBPZSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410325446 380087115 /nfs/dbraw/zinc/08/71/15/380087115.db2.gz IPPXKSUBYHQYHK-CVEARBPZSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000283187899 380045283 /nfs/dbraw/zinc/04/52/83/380045283.db2.gz KJVVJWIKQCDPHK-SWLSCSKDSA-N 2 2 287.432 3.417 20 0 CGADLP Oc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000284086179 380124179 /nfs/dbraw/zinc/12/41/79/380124179.db2.gz MBPRBKNIOXLCMV-KRWDZBQOSA-N 2 2 297.402 3.256 20 0 CGADLP c1cn(Cc2ccc(NCC3CCCCCC3)[nH+]c2)c[nH+]1 ZINC000353121148 380124994 /nfs/dbraw/zinc/12/49/94/380124994.db2.gz RTXLOVBXNLFKGF-UHFFFAOYSA-N 2 2 284.407 3.131 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000353280923 380200906 /nfs/dbraw/zinc/20/09/06/380200906.db2.gz XCEZYUJXVSFONO-SUMWQHHRSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000353280923 380200916 /nfs/dbraw/zinc/20/09/16/380200916.db2.gz XCEZYUJXVSFONO-SUMWQHHRSA-N 2 2 288.435 3.101 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000353970982 380257078 /nfs/dbraw/zinc/25/70/78/380257078.db2.gz HLVMRGOZUDUHIN-JKSUJKDBSA-N 2 2 289.467 3.278 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000353970982 380257085 /nfs/dbraw/zinc/25/70/85/380257085.db2.gz HLVMRGOZUDUHIN-JKSUJKDBSA-N 2 2 289.467 3.278 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353987996 380267633 /nfs/dbraw/zinc/26/76/33/380267633.db2.gz SMTSXPRXYDLXID-HLLBOEOZSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1ccc(OCC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353928790 380240893 /nfs/dbraw/zinc/24/08/93/380240893.db2.gz LPYAFNLYWVMNTL-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCCC[NH2+]3)oc21 ZINC000643501642 380322954 /nfs/dbraw/zinc/32/29/54/380322954.db2.gz NBQUWJUPUJIYSJ-GXTWGEPZSA-N 2 2 288.391 3.234 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(C)ccc1OC ZINC000643502130 380324229 /nfs/dbraw/zinc/32/42/29/380324229.db2.gz XRTCEYQUUBHVMG-ZBFHGGJFSA-N 2 2 276.424 3.186 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502105 380324832 /nfs/dbraw/zinc/32/48/32/380324832.db2.gz XNGCLZVVRBJUFH-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000643502536 380326861 /nfs/dbraw/zinc/32/68/61/380326861.db2.gz JMQJQXJWYUQLJN-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032549 380288287 /nfs/dbraw/zinc/28/82/87/380288287.db2.gz BRCQDDXLPDSFBH-LBPRGKRZSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032549 380288291 /nfs/dbraw/zinc/28/82/91/380288291.db2.gz BRCQDDXLPDSFBH-LBPRGKRZSA-N 2 2 294.807 3.450 20 0 CGADLP Cc1cc(C)[nH+]c(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000643348269 380291046 /nfs/dbraw/zinc/29/10/46/380291046.db2.gz IDKAZAHTKVWYMJ-HNNXBMFYSA-N 2 2 267.376 3.453 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000643515250 380335382 /nfs/dbraw/zinc/33/53/82/380335382.db2.gz RKKCOZCZBNBPHK-SNVBAGLBSA-N 2 2 258.768 3.129 20 0 CGADLP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414704674 380381836 /nfs/dbraw/zinc/38/18/36/380381836.db2.gz KSFSKSNAHHCWBH-TZMCWYRMSA-N 2 2 295.496 3.388 20 0 CGADLP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414704674 380381839 /nfs/dbraw/zinc/38/18/39/380381839.db2.gz KSFSKSNAHHCWBH-TZMCWYRMSA-N 2 2 295.496 3.388 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643525328 380340201 /nfs/dbraw/zinc/34/02/01/380340201.db2.gz WZPSPFXGFMHZHW-XKQJLSEDSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000643528262 380345643 /nfs/dbraw/zinc/34/56/43/380345643.db2.gz GFXHVSNYVVFFPK-CABZTGNLSA-N 2 2 270.829 3.204 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537671 380354062 /nfs/dbraw/zinc/35/40/62/380354062.db2.gz NYDFSZMREWQALH-AVGNSLFASA-N 2 2 276.355 3.092 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Cl)c1F ZINC000643538821 380355624 /nfs/dbraw/zinc/35/56/24/380355624.db2.gz XCXHJNGABIAECN-KWBADKCTSA-N 2 2 288.769 3.220 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414669948 380361968 /nfs/dbraw/zinc/36/19/68/380361968.db2.gz KDCZZCDDACMTIM-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414669948 380361971 /nfs/dbraw/zinc/36/19/71/380361971.db2.gz KDCZZCDDACMTIM-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414812765 380424408 /nfs/dbraw/zinc/42/44/08/380424408.db2.gz RSCGOKSEQHQWIL-UHFFFAOYSA-N 2 2 281.469 3.408 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414815596 380427780 /nfs/dbraw/zinc/42/77/80/380427780.db2.gz XSKXMJVVFAVETI-UHFFFAOYSA-N 2 2 267.442 3.018 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414817535 380428019 /nfs/dbraw/zinc/42/80/19/380428019.db2.gz SKFMWNXPYGORLB-NSHDSACASA-N 2 2 295.477 3.479 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000414818842 380430533 /nfs/dbraw/zinc/43/05/33/380430533.db2.gz WVCKCGYQJLLQKA-SNVBAGLBSA-N 2 2 291.258 3.118 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827803 380437745 /nfs/dbraw/zinc/43/77/45/380437745.db2.gz HUWVPSZLRBSYCW-RDTXWAMCSA-N 2 2 286.394 3.436 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000414832786 380440682 /nfs/dbraw/zinc/44/06/82/380440682.db2.gz OWNZSTQHWNDRPK-BRWVUGGUSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000414838930 380445934 /nfs/dbraw/zinc/44/59/34/380445934.db2.gz VXNRARCHSKLYMY-RUXDESIVSA-N 2 2 286.341 3.397 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCCCC1 ZINC000414840368 380447610 /nfs/dbraw/zinc/44/76/10/380447610.db2.gz KBJWSAQOBKANEB-UHFFFAOYSA-N 2 2 294.826 3.026 20 0 CGADLP C[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000414842315 380448595 /nfs/dbraw/zinc/44/85/95/380448595.db2.gz YYHMLASFHYGTJR-YJBOKZPZSA-N 2 2 268.404 3.155 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354343129 380405741 /nfs/dbraw/zinc/40/57/41/380405741.db2.gz JGZNSKFHVYMAKI-UHFFFAOYSA-N 2 2 298.365 3.193 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414800795 380413105 /nfs/dbraw/zinc/41/31/05/380413105.db2.gz IRLOLEDJRPCWFR-UHFFFAOYSA-N 2 2 284.403 3.189 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000414806395 380418863 /nfs/dbraw/zinc/41/88/63/380418863.db2.gz BSAMVHPNVXZPQP-SNVBAGLBSA-N 2 2 291.258 3.118 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1C(F)(F)F ZINC000414910755 380485650 /nfs/dbraw/zinc/48/56/50/380485650.db2.gz CRTAHCYKDHMDGD-QMTHXVAHSA-N 2 2 286.341 3.101 20 0 CGADLP CC[C@@H](CSC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354575730 380492293 /nfs/dbraw/zinc/49/22/93/380492293.db2.gz URKGGXXPKGMWAU-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000414928393 380492891 /nfs/dbraw/zinc/49/28/91/380492891.db2.gz BADNOIWNZKUBHK-SKDRFNHKSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952119 380502320 /nfs/dbraw/zinc/50/23/20/380502320.db2.gz HUFLNGZYLAMSAN-XYPHTWIQSA-N 2 2 258.409 3.042 20 0 CGADLP CSCCCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354647514 380513392 /nfs/dbraw/zinc/51/33/92/380513392.db2.gz JTWQKNLELVEABP-UHFFFAOYSA-N 2 2 266.454 3.446 20 0 CGADLP COCCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000354512209 380463514 /nfs/dbraw/zinc/46/35/14/380463514.db2.gz XDJZGICDIBVGKJ-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CCC1 ZINC000414874198 380468840 /nfs/dbraw/zinc/46/88/40/380468840.db2.gz INCTUSNKATZEKZ-UHFFFAOYSA-N 2 2 294.826 3.100 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414876752 380470665 /nfs/dbraw/zinc/47/06/65/380470665.db2.gz WIKXESKRNQQHND-UHFFFAOYSA-N 2 2 274.330 3.103 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000417355466 380605055 /nfs/dbraw/zinc/60/50/55/380605055.db2.gz NRTIMQJNJZWFSG-HNNXBMFYSA-N 2 2 295.430 3.493 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000417358976 380607026 /nfs/dbraw/zinc/60/70/26/380607026.db2.gz VDXGDPWSVPAHLC-HZPDHXFCSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCCC[N@@H+]3C3CC3)c2c1C ZINC000645226186 380623355 /nfs/dbraw/zinc/62/33/55/380623355.db2.gz ZGFFEMKPZUVZTB-AWEZNQCLSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H]3CCCC[N@H+]3C3CC3)c2c1C ZINC000645226186 380623359 /nfs/dbraw/zinc/62/33/59/380623359.db2.gz ZGFFEMKPZUVZTB-AWEZNQCLSA-N 2 2 299.422 3.004 20 0 CGADLP C[N@H+](CCC[C@@H]1CCOC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000645861929 380754965 /nfs/dbraw/zinc/75/49/65/380754965.db2.gz GLYVVJXMUUVZOH-QGZVFWFLSA-N 2 2 296.499 3.390 20 0 CGADLP C[N@@H+](CCC[C@@H]1CCOC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000645861929 380754968 /nfs/dbraw/zinc/75/49/68/380754968.db2.gz GLYVVJXMUUVZOH-QGZVFWFLSA-N 2 2 296.499 3.390 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@H]1c1ccccc1 ZINC000645898334 380765788 /nfs/dbraw/zinc/76/57/88/380765788.db2.gz KSGAEBOTRAZMJT-IAGOWNOFSA-N 2 2 256.393 3.132 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@H]1c1ccccc1 ZINC000645898334 380765794 /nfs/dbraw/zinc/76/57/94/380765794.db2.gz KSGAEBOTRAZMJT-IAGOWNOFSA-N 2 2 256.393 3.132 20 0 CGADLP C[NH+](CCC[N@@H+](C)CC1=CCCC1)Cc1ccco1 ZINC000645913430 380774442 /nfs/dbraw/zinc/77/44/42/380774442.db2.gz PFGHHPDCKFOXOW-UHFFFAOYSA-N 2 2 262.397 3.144 20 0 CGADLP C[NH+](CCC[N@H+](C)CC1=CCCC1)Cc1ccco1 ZINC000645913430 380774443 /nfs/dbraw/zinc/77/44/43/380774443.db2.gz PFGHHPDCKFOXOW-UHFFFAOYSA-N 2 2 262.397 3.144 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1=CCCC1 ZINC000645913430 380774445 /nfs/dbraw/zinc/77/44/45/380774445.db2.gz PFGHHPDCKFOXOW-UHFFFAOYSA-N 2 2 262.397 3.144 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1=CCCC1 ZINC000645913430 380774446 /nfs/dbraw/zinc/77/44/46/380774446.db2.gz PFGHHPDCKFOXOW-UHFFFAOYSA-N 2 2 262.397 3.144 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646050555 380813277 /nfs/dbraw/zinc/81/32/77/380813277.db2.gz HVVBRUCZVWNDJA-GJZGRUSLSA-N 2 2 261.413 3.031 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646050555 380813286 /nfs/dbraw/zinc/81/32/86/380813286.db2.gz HVVBRUCZVWNDJA-GJZGRUSLSA-N 2 2 261.413 3.031 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646050557 380813650 /nfs/dbraw/zinc/81/36/50/380813650.db2.gz HVVBRUCZVWNDJA-LSDHHAIUSA-N 2 2 261.413 3.031 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646050557 380813654 /nfs/dbraw/zinc/81/36/54/380813654.db2.gz HVVBRUCZVWNDJA-LSDHHAIUSA-N 2 2 261.413 3.031 20 0 CGADLP CCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356902842 380929927 /nfs/dbraw/zinc/92/99/27/380929927.db2.gz RRPQUOYPYDQVSE-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)C[N@@H+]1C1CC1 ZINC000421362127 380897558 /nfs/dbraw/zinc/89/75/58/380897558.db2.gz IFTOFLWTWHMSCZ-KBPBESRZSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)C[N@H+]1C1CC1 ZINC000421362127 380897563 /nfs/dbraw/zinc/89/75/63/380897563.db2.gz IFTOFLWTWHMSCZ-KBPBESRZSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000356912127 380935278 /nfs/dbraw/zinc/93/52/78/380935278.db2.gz ZMWCGAJBQBMCMR-ZOBUZTSGSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1[nH+]ccc(NCCCCNc2cccc[nH+]2)c1Cl ZINC000357297740 381097842 /nfs/dbraw/zinc/09/78/42/381097842.db2.gz DXVGMNXYAWMMGW-UHFFFAOYSA-N 2 2 290.798 3.165 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccsc1)CCC2 ZINC000360078314 381438786 /nfs/dbraw/zinc/43/87/86/381438786.db2.gz HCEBEYAGQXFTQI-OLZOCXBDSA-N 2 2 275.421 3.481 20 0 CGADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)CC12CCCCC2 ZINC000360616933 381596070 /nfs/dbraw/zinc/59/60/70/381596070.db2.gz GWBGECWLKWBAGN-HNNXBMFYSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)CC12CCCCC2 ZINC000360616933 381596078 /nfs/dbraw/zinc/59/60/78/381596078.db2.gz GWBGECWLKWBAGN-HNNXBMFYSA-N 2 2 261.413 3.175 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000361307022 381688015 /nfs/dbraw/zinc/68/80/15/381688015.db2.gz AOZSGXACHBNQHE-QZTJIDSGSA-N 2 2 293.414 3.068 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](C)OC ZINC000361573775 381812582 /nfs/dbraw/zinc/81/25/82/381812582.db2.gz OAWFLZJQMBLLIK-HNNXBMFYSA-N 2 2 287.407 3.038 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](C)OC ZINC000361573775 381812588 /nfs/dbraw/zinc/81/25/88/381812588.db2.gz OAWFLZJQMBLLIK-HNNXBMFYSA-N 2 2 287.407 3.038 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c[nH+]1 ZINC000363459670 382224999 /nfs/dbraw/zinc/22/49/99/382224999.db2.gz PVFJIEFXYMJNPJ-OAHLLOKOSA-N 2 2 296.374 3.252 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c[nH+]1 ZINC000363459670 382225005 /nfs/dbraw/zinc/22/50/05/382225005.db2.gz PVFJIEFXYMJNPJ-OAHLLOKOSA-N 2 2 296.374 3.252 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000363513538 382230527 /nfs/dbraw/zinc/23/05/27/382230527.db2.gz DUNGQLAQBUREDE-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000363513538 382230534 /nfs/dbraw/zinc/23/05/34/382230534.db2.gz DUNGQLAQBUREDE-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000230770256 542304861 /nfs/dbraw/zinc/30/48/61/542304861.db2.gz GLUUUCVLFPANCN-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230770256 542304864 /nfs/dbraw/zinc/30/48/64/542304864.db2.gz GLUUUCVLFPANCN-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000368585404 382378253 /nfs/dbraw/zinc/37/82/53/382378253.db2.gz QRIGTSCDTVMCFF-SJCJKPOMSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412912 542349542 /nfs/dbraw/zinc/34/95/42/542349542.db2.gz BEJFIPBUTNDQGX-PBFPGSCMSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412912 542349547 /nfs/dbraw/zinc/34/95/47/542349547.db2.gz BEJFIPBUTNDQGX-PBFPGSCMSA-N 2 2 294.389 3.490 20 0 CGADLP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422880795 532958272 /nfs/dbraw/zinc/95/82/72/532958272.db2.gz ORBXKRWJKTVVOH-WFASDCNBSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]1 ZINC000335258480 208044866 /nfs/dbraw/zinc/04/48/66/208044866.db2.gz JGXQRFVPDVFAPQ-QWRGUYRKSA-N 2 2 278.783 3.316 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358032431 533039089 /nfs/dbraw/zinc/03/90/89/533039089.db2.gz JHBCNQUOEGNLNR-DZGCQCFKSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358032431 533039092 /nfs/dbraw/zinc/03/90/92/533039092.db2.gz JHBCNQUOEGNLNR-DZGCQCFKSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358032431 533039095 /nfs/dbraw/zinc/03/90/95/533039095.db2.gz JHBCNQUOEGNLNR-DZGCQCFKSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358032431 533039099 /nfs/dbraw/zinc/03/90/99/533039099.db2.gz JHBCNQUOEGNLNR-DZGCQCFKSA-N 2 2 278.465 3.323 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@H](F)C3)n2c1 ZINC000335372769 208305271 /nfs/dbraw/zinc/30/52/71/208305271.db2.gz PGARKCLEBFNKDN-QWHCGFSZSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756966 220309194 /nfs/dbraw/zinc/30/91/94/220309194.db2.gz XHBOGLSQEMAWTM-ZFWWWQNUSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756966 220309196 /nfs/dbraw/zinc/30/91/96/220309196.db2.gz XHBOGLSQEMAWTM-ZFWWWQNUSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756966 220309199 /nfs/dbraw/zinc/30/91/99/220309199.db2.gz XHBOGLSQEMAWTM-ZFWWWQNUSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756966 220309201 /nfs/dbraw/zinc/30/92/01/220309201.db2.gz XHBOGLSQEMAWTM-ZFWWWQNUSA-N 2 2 295.496 3.429 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289290421 197285819 /nfs/dbraw/zinc/28/58/19/197285819.db2.gz PQAYJYVURFBRSB-INIZCTEOSA-N 2 2 289.467 3.318 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000353851078 220365532 /nfs/dbraw/zinc/36/55/32/220365532.db2.gz RHRJWSFFKMBITQ-ROUUACIJSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC000353851078 220365535 /nfs/dbraw/zinc/36/55/35/220365535.db2.gz RHRJWSFFKMBITQ-ROUUACIJSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000353872442 220378978 /nfs/dbraw/zinc/37/89/78/220378978.db2.gz VUCLGRZPXJNXCQ-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000353872442 220378981 /nfs/dbraw/zinc/37/89/81/220378981.db2.gz VUCLGRZPXJNXCQ-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC2CC2)C1 ZINC000289011055 197212498 /nfs/dbraw/zinc/21/24/98/197212498.db2.gz ADAAEKMBDMVZLL-HNNXBMFYSA-N 2 2 288.435 3.001 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC2CC2)C1 ZINC000289011055 197212500 /nfs/dbraw/zinc/21/25/00/197212500.db2.gz ADAAEKMBDMVZLL-HNNXBMFYSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000289011055 197212502 /nfs/dbraw/zinc/21/25/02/197212502.db2.gz ADAAEKMBDMVZLL-HNNXBMFYSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000289011055 197212503 /nfs/dbraw/zinc/21/25/03/197212503.db2.gz ADAAEKMBDMVZLL-HNNXBMFYSA-N 2 2 288.435 3.001 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000353623337 542559643 /nfs/dbraw/zinc/55/96/43/542559643.db2.gz QHYIVVVPLFYFHV-ZDUSSCGKSA-N 2 2 270.380 3.491 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748392 285397122 /nfs/dbraw/zinc/39/71/22/285397122.db2.gz RQSIGVHVBNCPIM-ZFWWWQNUSA-N 2 2 292.471 3.012 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748392 285397124 /nfs/dbraw/zinc/39/71/24/285397124.db2.gz RQSIGVHVBNCPIM-ZFWWWQNUSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748392 285397126 /nfs/dbraw/zinc/39/71/26/285397126.db2.gz RQSIGVHVBNCPIM-ZFWWWQNUSA-N 2 2 292.471 3.012 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000353748392 285397128 /nfs/dbraw/zinc/39/71/28/285397128.db2.gz RQSIGVHVBNCPIM-ZFWWWQNUSA-N 2 2 292.471 3.012 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1C[C@H]1C ZINC000414079192 533390813 /nfs/dbraw/zinc/39/08/13/533390813.db2.gz SOVBFPGQACPFPL-JHJVBQTASA-N 2 2 257.381 3.130 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000177328198 533362613 /nfs/dbraw/zinc/36/26/13/533362613.db2.gz JPXXVAGRTVPLRJ-CQSZACIVSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423477881 533389411 /nfs/dbraw/zinc/38/94/11/533389411.db2.gz KQKBEWANNHJGPW-WBVHZDCISA-N 3 2 298.434 3.055 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(CO)c1 ZINC000423279251 533398145 /nfs/dbraw/zinc/39/81/45/533398145.db2.gz QXWNQZQWTPIHOF-OAHLLOKOSA-N 2 2 290.451 3.142 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC(F)(F)CC1 ZINC000423246112 533411320 /nfs/dbraw/zinc/41/13/20/533411320.db2.gz PGFYHXDBBIWOCF-IUODEOHRSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423229400 533419517 /nfs/dbraw/zinc/41/95/17/533419517.db2.gz BDVMVKPSELPPCD-HIFRSBDPSA-N 2 2 270.376 3.349 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(F)c2)C1 ZINC000389193430 542606859 /nfs/dbraw/zinc/60/68/59/542606859.db2.gz WCMGBLRZYJBMMY-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(F)c2)C1 ZINC000389193430 542606865 /nfs/dbraw/zinc/60/68/65/542606865.db2.gz WCMGBLRZYJBMMY-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389453061 542608027 /nfs/dbraw/zinc/60/80/27/542608027.db2.gz QQDACQPMPAEDBH-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389453061 542608030 /nfs/dbraw/zinc/60/80/30/542608030.db2.gz QQDACQPMPAEDBH-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000395708938 542615073 /nfs/dbraw/zinc/61/50/73/542615073.db2.gz KORDAUOYDNYSEE-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000414861439 542639367 /nfs/dbraw/zinc/63/93/67/542639367.db2.gz FKUIKNJHNHQDSS-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000361762570 392317191 /nfs/dbraw/zinc/31/71/91/392317191.db2.gz BVXJVTYGYWUMGQ-NTZNESFSSA-N 2 2 281.469 3.147 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000361762570 392317196 /nfs/dbraw/zinc/31/71/96/392317196.db2.gz BVXJVTYGYWUMGQ-NTZNESFSSA-N 2 2 281.469 3.147 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000361767076 392318468 /nfs/dbraw/zinc/31/84/68/392318468.db2.gz OYWHEYMOONIQEJ-OFQRWUPVSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000361767076 392318473 /nfs/dbraw/zinc/31/84/73/392318473.db2.gz OYWHEYMOONIQEJ-OFQRWUPVSA-N 2 2 283.419 3.368 20 0 CGADLP Cc1c[nH+]ccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000107286429 392319697 /nfs/dbraw/zinc/31/96/97/392319697.db2.gz GJMDHMXVUOKUCU-UHFFFAOYSA-N 2 2 295.386 3.238 20 0 CGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000285467642 392325607 /nfs/dbraw/zinc/32/56/07/392325607.db2.gz NLZZNQDXMKZFHR-DOTOQJQBSA-N 2 2 299.418 3.365 20 0 CGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000285467642 392325614 /nfs/dbraw/zinc/32/56/14/392325614.db2.gz NLZZNQDXMKZFHR-DOTOQJQBSA-N 2 2 299.418 3.365 20 0 CGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000453395254 542682236 /nfs/dbraw/zinc/68/22/36/542682236.db2.gz UCPPHDPJHUXMTC-RDJZCZTQSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000453395254 542682240 /nfs/dbraw/zinc/68/22/40/542682240.db2.gz UCPPHDPJHUXMTC-RDJZCZTQSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000132635016 392462167 /nfs/dbraw/zinc/46/21/67/392462167.db2.gz OKRBRWZYISQQEH-TYNCELHUSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000132635016 392462174 /nfs/dbraw/zinc/46/21/74/392462174.db2.gz OKRBRWZYISQQEH-TYNCELHUSA-N 2 2 276.449 3.340 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000368090551 392486532 /nfs/dbraw/zinc/48/65/32/392486532.db2.gz SEKCAJDFAQCNNP-GFCCVEGCSA-N 2 2 275.440 3.462 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC(C)(C)C1 ZINC000368090551 392486538 /nfs/dbraw/zinc/48/65/38/392486538.db2.gz SEKCAJDFAQCNNP-GFCCVEGCSA-N 2 2 275.440 3.462 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000300411414 392582800 /nfs/dbraw/zinc/58/28/00/392582800.db2.gz MYKQXODKDVRASX-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000300411414 392582802 /nfs/dbraw/zinc/58/28/02/392582802.db2.gz MYKQXODKDVRASX-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301567921 392594650 /nfs/dbraw/zinc/59/46/50/392594650.db2.gz WVWIOGCLQKXIOT-DOTOQJQBSA-N 2 2 296.418 3.250 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301567921 392594655 /nfs/dbraw/zinc/59/46/55/392594655.db2.gz WVWIOGCLQKXIOT-DOTOQJQBSA-N 2 2 296.418 3.250 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(F)c1 ZINC000166412123 392608753 /nfs/dbraw/zinc/60/87/53/392608753.db2.gz WKAIRWKJEHCPHP-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(F)c1 ZINC000166412123 392608756 /nfs/dbraw/zinc/60/87/56/392608756.db2.gz WKAIRWKJEHCPHP-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000156655272 392548093 /nfs/dbraw/zinc/54/80/93/392548093.db2.gz BCMQVMYSCRKZIE-WMLDXEAASA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647291416 392642936 /nfs/dbraw/zinc/64/29/36/392642936.db2.gz OIBAUFQELNKHIZ-LESCRADOSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000647291416 392642943 /nfs/dbraw/zinc/64/29/43/392642943.db2.gz OIBAUFQELNKHIZ-LESCRADOSA-N 2 2 287.451 3.384 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000647530822 392751946 /nfs/dbraw/zinc/75/19/46/392751946.db2.gz IXKAUQKWWLWZIY-UHFFFAOYSA-N 2 2 278.343 3.080 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000647531377 392754482 /nfs/dbraw/zinc/75/44/82/392754482.db2.gz RXWPRCXKNKCUQV-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534038 392754594 /nfs/dbraw/zinc/75/45/94/392754594.db2.gz FEVLYFWLLHNKSS-QZTJIDSGSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534038 392754599 /nfs/dbraw/zinc/75/45/99/392754599.db2.gz FEVLYFWLLHNKSS-QZTJIDSGSA-N 2 2 272.436 3.036 20 0 CGADLP c1nc(C2CC2)c(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000486946322 542708904 /nfs/dbraw/zinc/70/89/04/542708904.db2.gz YRSFLGCXIQEZFV-UHFFFAOYSA-N 2 2 298.415 3.001 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)cn21 ZINC000647364020 392707588 /nfs/dbraw/zinc/70/75/88/392707588.db2.gz QFLPPTNLCSKFEA-KYJSFNMBSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@@H]3C3CCC3)cn21 ZINC000647364043 392708036 /nfs/dbraw/zinc/70/80/36/392708036.db2.gz QUVIHOIKPHSUNH-IAGOWNOFSA-N 2 2 283.419 3.354 20 0 CGADLP c1c(C[N@H+](C2CC2)C2CC[NH2+]CC2)onc1-c1ccccc1 ZINC000647814697 392808291 /nfs/dbraw/zinc/80/82/91/392808291.db2.gz ZVQTXQIYOOVVRM-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)onc1-c1ccccc1 ZINC000647814697 392808294 /nfs/dbraw/zinc/80/82/94/392808294.db2.gz ZVQTXQIYOOVVRM-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815027 392808318 /nfs/dbraw/zinc/80/83/18/392808318.db2.gz LYUWNFNQNHCKPK-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815027 392808320 /nfs/dbraw/zinc/80/83/20/392808320.db2.gz LYUWNFNQNHCKPK-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCC3)Cc2ccccc2C1 ZINC000337460128 392887164 /nfs/dbraw/zinc/88/71/64/392887164.db2.gz KBZQOAVRPRHUPA-KRWDZBQOSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1C)CCC2 ZINC000377830810 392889577 /nfs/dbraw/zinc/88/95/77/392889577.db2.gz HOPUHIMTWWXUMN-MRXNPFEDSA-N 2 2 269.392 3.167 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1C)CCC2 ZINC000377830809 392889802 /nfs/dbraw/zinc/88/98/02/392889802.db2.gz HOPUHIMTWWXUMN-INIZCTEOSA-N 2 2 269.392 3.167 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337989899 392895526 /nfs/dbraw/zinc/89/55/26/392895526.db2.gz RRWMBJRYWXTKTL-YALNPMBYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337989899 392895533 /nfs/dbraw/zinc/89/55/33/392895533.db2.gz RRWMBJRYWXTKTL-YALNPMBYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000194412870 392919113 /nfs/dbraw/zinc/91/91/13/392919113.db2.gz HFCOTVUQNXUSPL-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000194412870 392919117 /nfs/dbraw/zinc/91/91/17/392919117.db2.gz HFCOTVUQNXUSPL-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412870 392919121 /nfs/dbraw/zinc/91/91/21/392919121.db2.gz HFCOTVUQNXUSPL-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412870 392919124 /nfs/dbraw/zinc/91/91/24/392919124.db2.gz HFCOTVUQNXUSPL-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP c1csc([C@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+]2CCCC2)c1 ZINC000194178408 392905696 /nfs/dbraw/zinc/90/56/96/392905696.db2.gz JBCRXXQHAFHXHS-GJZGRUSLSA-N 2 2 292.448 3.167 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c[nH+]1 ZINC000648077565 392907400 /nfs/dbraw/zinc/90/74/00/392907400.db2.gz XYCAVOJITAGWGP-MRXNPFEDSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000193094879 392869993 /nfs/dbraw/zinc/86/99/93/392869993.db2.gz FIXHJTUCHQONQI-QGZVFWFLSA-N 2 2 296.418 3.342 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1csc(C)n1)CCC2 ZINC000376527056 392878828 /nfs/dbraw/zinc/87/88/28/392878828.db2.gz DXPXSXYELLOBQG-DGCLKSJQSA-N 2 2 290.436 3.185 20 0 CGADLP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000401649879 392950733 /nfs/dbraw/zinc/95/07/33/392950733.db2.gz KAWZOROCVZPKKH-JKSUJKDBSA-N 2 2 263.429 3.469 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210754 392968682 /nfs/dbraw/zinc/96/86/82/392968682.db2.gz ZFBNHLNXXYUBED-FUHWJXTLSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210754 392968686 /nfs/dbraw/zinc/96/86/86/392968686.db2.gz ZFBNHLNXXYUBED-FUHWJXTLSA-N 2 2 299.418 3.217 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341911463 392993835 /nfs/dbraw/zinc/99/38/35/392993835.db2.gz UUBHLLUMTMFOEM-KCPJHIHWSA-N 2 2 294.826 3.093 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341911463 392993840 /nfs/dbraw/zinc/99/38/40/392993840.db2.gz UUBHLLUMTMFOEM-KCPJHIHWSA-N 2 2 294.826 3.093 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@@H]3C)c[nH+]c12 ZINC000466421304 393028633 /nfs/dbraw/zinc/02/86/33/393028633.db2.gz DAEXCGOIMUSUQG-JSGCOSHPSA-N 2 2 257.381 3.169 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000466419235 393028823 /nfs/dbraw/zinc/02/88/23/393028823.db2.gz INZZRGIBTLOTIL-INIZCTEOSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346804336 393094725 /nfs/dbraw/zinc/09/47/25/393094725.db2.gz XIQSCOJPNXPSQP-JQFCIGGWSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346804336 393094733 /nfs/dbraw/zinc/09/47/33/393094733.db2.gz XIQSCOJPNXPSQP-JQFCIGGWSA-N 2 2 258.409 3.055 20 0 CGADLP CC[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000467543086 393105847 /nfs/dbraw/zinc/10/58/47/393105847.db2.gz MRHKDYIMIMFPFT-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP CCCC1CCC(C[NH2+][C@@H](CC[NH3+])C(F)F)CC1 ZINC000414988520 393081051 /nfs/dbraw/zinc/08/10/51/393081051.db2.gz KYNIPERELBWKRF-BPCQOVAHSA-N 2 2 262.388 3.165 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000415047739 393110540 /nfs/dbraw/zinc/11/05/40/393110540.db2.gz WHVIIXHXXQSYFO-CQSZACIVSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348064453 393112298 /nfs/dbraw/zinc/11/22/98/393112298.db2.gz AFHRYYAOLIHWOI-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000547505373 393123679 /nfs/dbraw/zinc/12/36/79/393123679.db2.gz FLRXGQZEPBCEOO-GFCCVEGCSA-N 2 2 278.787 3.063 20 0 CGADLP c1cc(-c2ncc(C[NH2+][C@H]3CCCC[NH2+]C3)s2)cs1 ZINC000415074227 393130193 /nfs/dbraw/zinc/13/01/93/393130193.db2.gz ZXODGCCASUNHNR-LBPRGKRZSA-N 2 2 293.461 3.103 20 0 CGADLP c1cc(-c2ncc(C[NH2+][C@@H]3CCCC[NH2+]C3)s2)cs1 ZINC000415074226 393130535 /nfs/dbraw/zinc/13/05/35/393130535.db2.gz ZXODGCCASUNHNR-GFCCVEGCSA-N 2 2 293.461 3.103 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079859 393134430 /nfs/dbraw/zinc/13/44/30/393134430.db2.gz IQDFFQPKAMIUOM-MNOVXSKESA-N 2 2 287.234 3.439 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000349178975 393141482 /nfs/dbraw/zinc/14/14/82/393141482.db2.gz BZOKOGCRTGWQJE-ZACQAIPSSA-N 2 2 281.403 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000349178975 393141487 /nfs/dbraw/zinc/14/14/87/393141487.db2.gz BZOKOGCRTGWQJE-ZACQAIPSSA-N 2 2 281.403 3.013 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000352836711 393211841 /nfs/dbraw/zinc/21/18/41/393211841.db2.gz WYBIQKXXDJTJQC-DZJNRPSUSA-N 2 2 294.483 3.068 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000352836711 393211850 /nfs/dbraw/zinc/21/18/50/393211850.db2.gz WYBIQKXXDJTJQC-DZJNRPSUSA-N 2 2 294.483 3.068 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000472076942 393331410 /nfs/dbraw/zinc/33/14/10/393331410.db2.gz UFRSDJXHPWCEDJ-XJKSGUPXSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000472076942 393331414 /nfs/dbraw/zinc/33/14/14/393331414.db2.gz UFRSDJXHPWCEDJ-XJKSGUPXSA-N 2 2 297.446 3.500 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216104 393382417 /nfs/dbraw/zinc/38/24/17/393382417.db2.gz MXGHKEURXABBLW-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216104 393382420 /nfs/dbraw/zinc/38/24/20/393382420.db2.gz MXGHKEURXABBLW-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334880 393392738 /nfs/dbraw/zinc/39/27/38/393392738.db2.gz WCJXQRVKTNSAMG-UJLSLHKQSA-N 2 2 290.373 3.037 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000474877482 393353996 /nfs/dbraw/zinc/35/39/96/393353996.db2.gz ZQFZVOCJUNHFJW-UHFFFAOYSA-N 2 2 297.377 3.368 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000474895893 393355824 /nfs/dbraw/zinc/35/58/24/393355824.db2.gz YEHVCDDGTTXYME-RDJZCZTQSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)C1CCCCC1 ZINC000474929947 393358508 /nfs/dbraw/zinc/35/85/08/393358508.db2.gz WTLPXWVEWLTGPB-IJEWVQPXSA-N 2 2 275.440 3.392 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1COC(C)(C)C1)[NH+](C)C ZINC000418027548 393359257 /nfs/dbraw/zinc/35/92/57/393359257.db2.gz PIAKAGDKNRWPRL-ZOBUZTSGSA-N 2 2 290.451 3.143 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(C[NH+](CC)CC)cc1 ZINC000418003719 393359587 /nfs/dbraw/zinc/35/95/87/393359587.db2.gz BPMRRYHSMJFOEI-UHFFFAOYSA-N 2 2 286.423 3.357 20 0 CGADLP Cc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cs1 ZINC000647263139 393421043 /nfs/dbraw/zinc/42/10/43/393421043.db2.gz PLSNVSXMAJUJHR-UHFFFAOYSA-N 2 2 285.416 3.345 20 0 CGADLP Cc1sccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647263098 393421307 /nfs/dbraw/zinc/42/13/07/393421307.db2.gz HVVHGJTXIHUKIW-UHFFFAOYSA-N 2 2 285.416 3.345 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[NH+]1CCCCC1 ZINC000479537745 393433379 /nfs/dbraw/zinc/43/33/79/393433379.db2.gz OLBTWNHXNAZVHA-HOTGVXAUSA-N 2 2 250.430 3.054 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000356386974 393434196 /nfs/dbraw/zinc/43/41/96/393434196.db2.gz FZYMSBADYXADIU-LPADLIQXSA-N 2 2 281.403 3.369 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000356386974 393434199 /nfs/dbraw/zinc/43/41/99/393434199.db2.gz FZYMSBADYXADIU-LPADLIQXSA-N 2 2 281.403 3.369 20 0 CGADLP COc1cccc2c(N(C)CC[C@H]([NH3+])C(C)C)cc[nH+]c12 ZINC000420212125 393438252 /nfs/dbraw/zinc/43/82/52/393438252.db2.gz WWNJWDOKLDMWFJ-AWEZNQCLSA-N 2 2 287.407 3.053 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420318102 393464054 /nfs/dbraw/zinc/46/40/54/393464054.db2.gz PICYWDJNUIHUBJ-CQSZACIVSA-N 2 2 282.815 3.052 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420318102 393464055 /nfs/dbraw/zinc/46/40/55/393464055.db2.gz PICYWDJNUIHUBJ-CQSZACIVSA-N 2 2 282.815 3.052 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000420378486 393478085 /nfs/dbraw/zinc/47/80/85/393478085.db2.gz UNGZBTGUWYHUQT-RQJHMYQMSA-N 2 2 265.159 3.130 20 0 CGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000420420684 393486498 /nfs/dbraw/zinc/48/64/98/393486498.db2.gz YFAVCWZGEPHANK-SECBINFHSA-N 2 2 295.839 3.381 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1C ZINC000488348813 393492974 /nfs/dbraw/zinc/49/29/74/393492974.db2.gz CWKQGJZCNZZNKV-BMFZPTHFSA-N 2 2 283.419 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H]1C ZINC000488348813 393492977 /nfs/dbraw/zinc/49/29/77/393492977.db2.gz CWKQGJZCNZZNKV-BMFZPTHFSA-N 2 2 283.419 3.465 20 0 CGADLP C[C@@H](CSc1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000649666327 393534616 /nfs/dbraw/zinc/53/46/16/393534616.db2.gz NWLLHKBMAULIFF-AWEZNQCLSA-N 2 2 289.448 3.075 20 0 CGADLP C[C@@H](CSc1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000649666327 393534621 /nfs/dbraw/zinc/53/46/21/393534621.db2.gz NWLLHKBMAULIFF-AWEZNQCLSA-N 2 2 289.448 3.075 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488557817 393537776 /nfs/dbraw/zinc/53/77/76/393537776.db2.gz KQSFVAUDLBGGLA-BPQIPLTHSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488557817 393537780 /nfs/dbraw/zinc/53/77/80/393537780.db2.gz KQSFVAUDLBGGLA-BPQIPLTHSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430566561 393576778 /nfs/dbraw/zinc/57/67/78/393576778.db2.gz CKGHAQKAQCZKTP-CRAIPNDOSA-N 2 2 294.483 3.046 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000666768560 542814415 /nfs/dbraw/zinc/81/44/15/542814415.db2.gz KKZSDLSJRBOLSK-LBPRGKRZSA-N 2 2 290.304 3.076 20 0 CGADLP Cc1cc(NC[C@H](C)C[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000489010880 393570349 /nfs/dbraw/zinc/57/03/49/393570349.db2.gz KAJCKYBVAMTMBU-NSHDSACASA-N 2 2 275.371 3.292 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1C ZINC000430589865 393581025 /nfs/dbraw/zinc/58/10/25/393581025.db2.gz JGRJCRGCCYNZBR-SFHVURJKSA-N 2 2 288.435 3.031 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775545 393582292 /nfs/dbraw/zinc/58/22/92/393582292.db2.gz LHNIKVSIGHSDRH-UHFFFAOYSA-N 2 2 291.345 3.264 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423459133 393668489 /nfs/dbraw/zinc/66/84/89/393668489.db2.gz HRZHJJPHMGPQGP-GXTWGEPZSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361099027 393672632 /nfs/dbraw/zinc/67/26/32/393672632.db2.gz VFRFIDRISPLAMC-MJBXVCDLSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361099027 393672636 /nfs/dbraw/zinc/67/26/36/393672636.db2.gz VFRFIDRISPLAMC-MJBXVCDLSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000443780032 393771949 /nfs/dbraw/zinc/77/19/49/393771949.db2.gz KLBUQTKAWQDQEE-BQFCYCMXSA-N 2 2 290.451 3.002 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494414463 393775710 /nfs/dbraw/zinc/77/57/10/393775710.db2.gz PAOKWEUOBNBUPY-LBPRGKRZSA-N 2 2 295.308 3.007 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494408860 393775771 /nfs/dbraw/zinc/77/57/71/393775771.db2.gz XXTNPTVTEBDSPH-NRXISQOPSA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000494696533 393776375 /nfs/dbraw/zinc/77/63/75/393776375.db2.gz JABOWXDQVPCGIN-RRQGHBQHSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000494696533 393776376 /nfs/dbraw/zinc/77/63/76/393776376.db2.gz JABOWXDQVPCGIN-RRQGHBQHSA-N 2 2 264.457 3.418 20 0 CGADLP CC[NH+](CC)CC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000444106799 393786702 /nfs/dbraw/zinc/78/67/02/393786702.db2.gz HZZJUROCVSAALA-UHFFFAOYSA-N 2 2 298.434 3.188 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000499707105 393803618 /nfs/dbraw/zinc/80/36/18/393803618.db2.gz PVOLMEWAPCYNEX-IGGSBBPBSA-N 2 2 284.447 3.322 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000499707105 393803621 /nfs/dbraw/zinc/80/36/21/393803621.db2.gz PVOLMEWAPCYNEX-IGGSBBPBSA-N 2 2 284.447 3.322 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448077685 393868930 /nfs/dbraw/zinc/86/89/30/393868930.db2.gz OBUDIBJLXZSWJI-MRXNPFEDSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000449018631 393874599 /nfs/dbraw/zinc/87/45/99/393874599.db2.gz OHUDIWPVLHDPSK-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP Cc1cccc(CC[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000449018631 393874602 /nfs/dbraw/zinc/87/46/02/393874602.db2.gz OHUDIWPVLHDPSK-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@@H+]1C ZINC000449233870 393877088 /nfs/dbraw/zinc/87/70/88/393877088.db2.gz NPOYDKQPUXVELU-RYKRPPSOSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@H+]1C ZINC000449233870 393877089 /nfs/dbraw/zinc/87/70/89/393877089.db2.gz NPOYDKQPUXVELU-RYKRPPSOSA-N 2 2 294.483 3.329 20 0 CGADLP C([C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000502937696 393888776 /nfs/dbraw/zinc/88/87/76/393888776.db2.gz XSDDVNFQFZNHSC-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C([C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000502937696 393888780 /nfs/dbraw/zinc/88/87/80/393888780.db2.gz XSDDVNFQFZNHSC-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449554840 393899742 /nfs/dbraw/zinc/89/97/42/393899742.db2.gz DVKXUTJBTAAUAC-MNOVXSKESA-N 2 2 274.861 3.262 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000501453363 393853371 /nfs/dbraw/zinc/85/33/71/393853371.db2.gz SFTJKZDAKCNSOM-MAUKXSAKSA-N 2 2 292.467 3.255 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)s1)Cc1c[nH+]c(C)n1C ZINC000667481805 542874730 /nfs/dbraw/zinc/87/47/30/542874730.db2.gz IENOLLHNFGVEBF-UHFFFAOYSA-N 2 2 283.828 3.466 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)s1)Cc1c[nH+]c(C)n1C ZINC000667481805 542874734 /nfs/dbraw/zinc/87/47/34/542874734.db2.gz IENOLLHNFGVEBF-UHFFFAOYSA-N 2 2 283.828 3.466 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000453210195 394206102 /nfs/dbraw/zinc/20/61/02/394206102.db2.gz MELAEGOIRAMLSU-IAGOWNOFSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000453210195 394206103 /nfs/dbraw/zinc/20/61/03/394206103.db2.gz MELAEGOIRAMLSU-IAGOWNOFSA-N 2 2 262.441 3.172 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC000453223391 394211048 /nfs/dbraw/zinc/21/10/48/394211048.db2.gz REHRZUFYCXBIMR-BPUTZDHNSA-N 2 2 293.455 3.445 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)n1C ZINC000667497407 542877702 /nfs/dbraw/zinc/87/77/02/542877702.db2.gz AFXDFHPMQZKIMV-CYBMUJFWSA-N 2 2 269.392 3.454 20 0 CGADLP Cc1[nH+]cc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)n1C ZINC000667497407 542877704 /nfs/dbraw/zinc/87/77/04/542877704.db2.gz AFXDFHPMQZKIMV-CYBMUJFWSA-N 2 2 269.392 3.454 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccco2)C2CCCC2)n1C ZINC000667500241 542880738 /nfs/dbraw/zinc/88/07/38/542880738.db2.gz JANSVOOMPTYJLC-UHFFFAOYSA-N 2 2 273.380 3.266 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccco2)C2CCCC2)n1C ZINC000667500241 542880742 /nfs/dbraw/zinc/88/07/42/542880742.db2.gz JANSVOOMPTYJLC-UHFFFAOYSA-N 2 2 273.380 3.266 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)CCc2ccc(Cl)cc2)n1C ZINC000667565255 542890571 /nfs/dbraw/zinc/89/05/71/542890571.db2.gz OXKASYBFLGCSCY-UHFFFAOYSA-N 2 2 277.799 3.056 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)CCc2ccc(Cl)cc2)n1C ZINC000667565255 542890574 /nfs/dbraw/zinc/89/05/74/542890574.db2.gz OXKASYBFLGCSCY-UHFFFAOYSA-N 2 2 277.799 3.056 20 0 CGADLP CC(C)(C)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667567215 542891796 /nfs/dbraw/zinc/89/17/96/542891796.db2.gz SJSDDXIYKQUDQW-UHFFFAOYSA-N 2 2 261.413 3.087 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]2CCCC[C@@H]12 ZINC000667531886 542884797 /nfs/dbraw/zinc/88/47/97/542884797.db2.gz UKDAKJIUBVDZMN-KBMXLJTQSA-N 2 2 273.424 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]2CCCC[C@@H]12 ZINC000667531886 542884799 /nfs/dbraw/zinc/88/47/99/542884799.db2.gz UKDAKJIUBVDZMN-KBMXLJTQSA-N 2 2 273.424 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)n1C ZINC000667555629 542888977 /nfs/dbraw/zinc/88/89/77/542888977.db2.gz IAJWBHJKNGJBOK-NSHDSACASA-N 2 2 259.353 3.047 20 0 CGADLP Cc1[nH+]cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)n1C ZINC000667555629 542888983 /nfs/dbraw/zinc/88/89/83/542888983.db2.gz IAJWBHJKNGJBOK-NSHDSACASA-N 2 2 259.353 3.047 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)n1C ZINC000667640115 542902333 /nfs/dbraw/zinc/90/23/33/542902333.db2.gz KTAYRQMSFNNXGZ-GOSISDBHSA-N 2 2 283.419 3.282 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)n1C ZINC000667640115 542902337 /nfs/dbraw/zinc/90/23/37/542902337.db2.gz KTAYRQMSFNNXGZ-GOSISDBHSA-N 2 2 283.419 3.282 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665645 542910456 /nfs/dbraw/zinc/91/04/56/542910456.db2.gz QHBLPEVYWOGHSQ-LLVKDONJSA-N 2 2 292.452 3.249 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665645 542910458 /nfs/dbraw/zinc/91/04/58/542910458.db2.gz QHBLPEVYWOGHSQ-LLVKDONJSA-N 2 2 292.452 3.249 20 0 CGADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688443 542916467 /nfs/dbraw/zinc/91/64/67/542916467.db2.gz SDQZRPZDLJHEGL-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688443 542916470 /nfs/dbraw/zinc/91/64/70/542916470.db2.gz SDQZRPZDLJHEGL-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)n1C ZINC000667689297 542916829 /nfs/dbraw/zinc/91/68/29/542916829.db2.gz UPWGVHOOTJXFDN-UHFFFAOYSA-N 2 2 287.407 3.148 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(OC(C)C)c2)n1C ZINC000667689297 542916832 /nfs/dbraw/zinc/91/68/32/542916832.db2.gz UPWGVHOOTJXFDN-UHFFFAOYSA-N 2 2 287.407 3.148 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668431077 543012367 /nfs/dbraw/zinc/01/23/67/543012367.db2.gz VUZVUIOSKIUHPM-GDBMZVCRSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000668431077 543012368 /nfs/dbraw/zinc/01/23/68/543012368.db2.gz VUZVUIOSKIUHPM-GDBMZVCRSA-N 2 2 290.451 3.176 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000668458168 543014291 /nfs/dbraw/zinc/01/42/91/543014291.db2.gz BWYCYWDQKSSCCK-IHRRRGAJSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000668458168 543014293 /nfs/dbraw/zinc/01/42/93/543014293.db2.gz BWYCYWDQKSSCCK-IHRRRGAJSA-N 2 2 284.513 3.369 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489435 299654297 /nfs/dbraw/zinc/65/42/97/299654297.db2.gz WQZGCQOEKAGCKW-GFCCVEGCSA-N 2 2 264.800 3.229 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](C)C(C)(C)C)CC2)c1 ZINC000670262624 543145901 /nfs/dbraw/zinc/14/59/01/543145901.db2.gz VLUCIZBMKCZHQG-OAHLLOKOSA-N 2 2 275.440 3.194 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000419739781 397700464 /nfs/dbraw/zinc/70/04/64/397700464.db2.gz AXOZOHYIQNUDLU-LLVKDONJSA-N 2 2 272.795 3.075 20 0 CGADLP C[C@H]([NH2+]C1(c2ccccc2Cl)CCC1)[C@H]1CCC[NH2+]1 ZINC000650739864 397903869 /nfs/dbraw/zinc/90/38/69/397903869.db2.gz ATWHKWVCBXATBX-SWLSCSKDSA-N 2 2 278.827 3.449 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000675766018 543361862 /nfs/dbraw/zinc/36/18/62/543361862.db2.gz GJWNYHHMCAAYAC-OLZOCXBDSA-N 2 2 298.377 3.341 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000675765677 543361902 /nfs/dbraw/zinc/36/19/02/543361902.db2.gz FEMLAGNDVGUQKP-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000675765677 543361905 /nfs/dbraw/zinc/36/19/05/543361905.db2.gz FEMLAGNDVGUQKP-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000675765678 543361357 /nfs/dbraw/zinc/36/13/57/543361357.db2.gz FEMLAGNDVGUQKP-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000675765678 543361359 /nfs/dbraw/zinc/36/13/59/543361359.db2.gz FEMLAGNDVGUQKP-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833804 543368558 /nfs/dbraw/zinc/36/85/58/543368558.db2.gz PDZBFKVBWKQBBD-LIRRHRJNSA-N 2 2 284.447 3.310 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833804 543368560 /nfs/dbraw/zinc/36/85/60/543368560.db2.gz PDZBFKVBWKQBBD-LIRRHRJNSA-N 2 2 284.447 3.310 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923880 543374189 /nfs/dbraw/zinc/37/41/89/543374189.db2.gz UZZFEAGIYHLBTK-OIISXLGYSA-N 2 2 283.419 3.482 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000675924503 543374435 /nfs/dbraw/zinc/37/44/35/543374435.db2.gz KLPZPQXUZQUSLT-UONOGXRCSA-N 2 2 266.454 3.001 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000675924503 543374436 /nfs/dbraw/zinc/37/44/36/543374436.db2.gz KLPZPQXUZQUSLT-UONOGXRCSA-N 2 2 266.454 3.001 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)s1 ZINC000676839533 543421125 /nfs/dbraw/zinc/42/11/25/543421125.db2.gz MUVIAABEOFOJFM-LLVKDONJSA-N 2 2 293.480 3.427 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000677129990 543434725 /nfs/dbraw/zinc/43/47/25/543434725.db2.gz QXJADBOFUOWKNP-ZACQAIPSSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000677129990 543434726 /nfs/dbraw/zinc/43/47/26/543434726.db2.gz QXJADBOFUOWKNP-ZACQAIPSSA-N 2 2 292.373 3.169 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC000677130544 543434860 /nfs/dbraw/zinc/43/48/60/543434860.db2.gz LCYCRPAPMSOMCV-RSAASHCRSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC000677130544 543434862 /nfs/dbraw/zinc/43/48/62/543434862.db2.gz LCYCRPAPMSOMCV-RSAASHCRSA-N 2 2 280.362 3.024 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000344528834 292169082 /nfs/dbraw/zinc/16/90/82/292169082.db2.gz QKYJBEIKFDMSQS-HUUCEWRRSA-N 2 2 296.499 3.290 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000344528828 292169097 /nfs/dbraw/zinc/16/90/97/292169097.db2.gz QKYJBEIKFDMSQS-GJZGRUSLSA-N 2 2 296.499 3.290 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)c[nH+]1 ZINC000678235893 543498219 /nfs/dbraw/zinc/49/82/19/543498219.db2.gz ZGGFZKNWADCJHO-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)c[nH+]1 ZINC000678235893 543498222 /nfs/dbraw/zinc/49/82/22/543498222.db2.gz ZGGFZKNWADCJHO-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000678235553 543498878 /nfs/dbraw/zinc/49/88/78/543498878.db2.gz VWBSCVDLKMLPIS-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000678235553 543498879 /nfs/dbraw/zinc/49/88/79/543498879.db2.gz VWBSCVDLKMLPIS-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)c[nH+]1 ZINC000678235392 543498904 /nfs/dbraw/zinc/49/89/04/543498904.db2.gz SBCKXQOWSCLQIB-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c[nH+]1 ZINC000678235392 543498905 /nfs/dbraw/zinc/49/89/05/543498905.db2.gz SBCKXQOWSCLQIB-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)[nH]1 ZINC000678190776 543491827 /nfs/dbraw/zinc/49/18/27/543491827.db2.gz VDXRRSXBCPTABF-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)[nH]1 ZINC000678190776 543491828 /nfs/dbraw/zinc/49/18/28/543491828.db2.gz VDXRRSXBCPTABF-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000678302312 543513121 /nfs/dbraw/zinc/51/31/21/543513121.db2.gz KCCZCNOZAKIDLO-UHFFFAOYSA-N 2 2 279.387 3.402 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)n1 ZINC000678415445 543522413 /nfs/dbraw/zinc/52/24/13/543522413.db2.gz ZJNLUGJCCKYUNZ-AWEZNQCLSA-N 2 2 272.396 3.026 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccn1C ZINC000678765000 543553754 /nfs/dbraw/zinc/55/37/54/543553754.db2.gz VPBRMNGRWLZCNJ-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1(CC)CC ZINC000678928762 543573014 /nfs/dbraw/zinc/57/30/14/543573014.db2.gz UPYVCJZYRCSMAK-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1(CC)CC ZINC000678928762 543573017 /nfs/dbraw/zinc/57/30/17/543573017.db2.gz UPYVCJZYRCSMAK-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000678993953 543580125 /nfs/dbraw/zinc/58/01/25/543580125.db2.gz ARBUYZJPIOFFAH-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000678993953 543580128 /nfs/dbraw/zinc/58/01/28/543580128.db2.gz ARBUYZJPIOFFAH-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1(C)C ZINC000344031208 286383714 /nfs/dbraw/zinc/38/37/14/286383714.db2.gz GLXOCABYCCQWHE-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)C2 ZINC000491365603 292351740 /nfs/dbraw/zinc/35/17/40/292351740.db2.gz DXMNHZHVUPEFCO-CJNGLKHVSA-N 2 2 260.425 3.158 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423550956 286733439 /nfs/dbraw/zinc/73/34/39/286733439.db2.gz IUYCIMQYMFGZFT-STQMWFEESA-N 2 2 264.438 3.201 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000070092035 286985615 /nfs/dbraw/zinc/98/56/15/286985615.db2.gz CLGABDGNDNQRHH-CYBMUJFWSA-N 2 2 263.410 3.384 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000400502979 287050920 /nfs/dbraw/zinc/05/09/20/287050920.db2.gz JAIHSAWDLRKTOA-MISXGVKJSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000070100519 165054399 /nfs/dbraw/zinc/05/43/99/165054399.db2.gz FSDSHRTYQMYECR-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000070100519 165054401 /nfs/dbraw/zinc/05/44/01/165054401.db2.gz FSDSHRTYQMYECR-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075835931 165106153 /nfs/dbraw/zinc/10/61/53/165106153.db2.gz XCAJNKWBPKTQRM-OAHLLOKOSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075835931 165106158 /nfs/dbraw/zinc/10/61/58/165106158.db2.gz XCAJNKWBPKTQRM-OAHLLOKOSA-N 2 2 293.842 3.043 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000086252201 165182058 /nfs/dbraw/zinc/18/20/58/165182058.db2.gz VXUXDFLXIRPETA-SFHVURJKSA-N 2 2 283.419 3.159 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000086252201 165182064 /nfs/dbraw/zinc/18/20/64/165182064.db2.gz VXUXDFLXIRPETA-SFHVURJKSA-N 2 2 283.419 3.159 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000090003797 165223098 /nfs/dbraw/zinc/22/30/98/165223098.db2.gz AHPKEIZTIWWAGF-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000090003797 165223100 /nfs/dbraw/zinc/22/31/00/165223100.db2.gz AHPKEIZTIWWAGF-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[N@@H+]1C ZINC000090721300 287105023 /nfs/dbraw/zinc/10/50/23/287105023.db2.gz DBPQPFHGTJKOPT-WCQYABFASA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[N@H+]1C ZINC000090721300 287105026 /nfs/dbraw/zinc/10/50/26/287105026.db2.gz DBPQPFHGTJKOPT-WCQYABFASA-N 2 2 297.240 3.021 20 0 CGADLP COCCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090536066 165238484 /nfs/dbraw/zinc/23/84/84/165238484.db2.gz JGNMRKSYVLFCAL-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000090803927 165243019 /nfs/dbraw/zinc/24/30/19/165243019.db2.gz QBZUYPHVOMKCNQ-ZDUSSCGKSA-N 2 2 299.340 3.069 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000091961042 165277799 /nfs/dbraw/zinc/27/77/99/165277799.db2.gz PDOAVODCKCMPBD-OCCSQVGLSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000091961042 165277802 /nfs/dbraw/zinc/27/78/02/165277802.db2.gz PDOAVODCKCMPBD-OCCSQVGLSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000091959928 165279569 /nfs/dbraw/zinc/27/95/69/165279569.db2.gz AVAFGUCUAZSNQK-PMPSAXMXSA-N 2 2 259.397 3.122 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000091959928 165279573 /nfs/dbraw/zinc/27/95/73/165279573.db2.gz AVAFGUCUAZSNQK-PMPSAXMXSA-N 2 2 259.397 3.122 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(CC)o2)CC1 ZINC000092165565 165284242 /nfs/dbraw/zinc/28/42/42/165284242.db2.gz SCCFJDXCWYXLAC-UHFFFAOYSA-N 2 2 264.413 3.148 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC)o2)CC1 ZINC000092165565 165284245 /nfs/dbraw/zinc/28/42/45/165284245.db2.gz SCCFJDXCWYXLAC-UHFFFAOYSA-N 2 2 264.413 3.148 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000092195043 165286279 /nfs/dbraw/zinc/28/62/79/165286279.db2.gz QKQMYDCLEOWSSO-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(F)cn1 ZINC000092195043 165286280 /nfs/dbraw/zinc/28/62/80/165286280.db2.gz QKQMYDCLEOWSSO-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP c1cn(C2CC[NH+](Cc3coc4ccccc34)CC2)c[nH+]1 ZINC000092648482 165308390 /nfs/dbraw/zinc/30/83/90/165308390.db2.gz FQEQSBUHBFWJQG-UHFFFAOYSA-N 2 2 281.359 3.466 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccnc1 ZINC000092745304 165312324 /nfs/dbraw/zinc/31/23/24/165312324.db2.gz LHSITHQQPRLCEB-AWEZNQCLSA-N 2 2 270.380 3.020 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422554 165349325 /nfs/dbraw/zinc/34/93/25/165349325.db2.gz NSGTZAVFWXLHJH-HOTGVXAUSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000152808997 165461676 /nfs/dbraw/zinc/46/16/76/165461676.db2.gz GRSJQDCRHVNWLJ-ZDUSSCGKSA-N 2 2 287.382 3.252 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261573188 287133401 /nfs/dbraw/zinc/13/34/01/287133401.db2.gz VACQDUAFMLXVNV-GBIKHYSHSA-N 2 2 272.314 3.045 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261573188 287133402 /nfs/dbraw/zinc/13/34/02/287133402.db2.gz VACQDUAFMLXVNV-GBIKHYSHSA-N 2 2 272.314 3.045 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000119433299 287169577 /nfs/dbraw/zinc/16/95/77/287169577.db2.gz SOKIWZWHDLHZIN-UHFFFAOYSA-N 2 2 281.469 3.152 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122995655 287214715 /nfs/dbraw/zinc/21/47/15/287214715.db2.gz ZARGGTMGHSVQKG-DZKIICNBSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122995655 287214718 /nfs/dbraw/zinc/21/47/18/287214718.db2.gz ZARGGTMGHSVQKG-DZKIICNBSA-N 2 2 258.409 3.271 20 0 CGADLP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123168274 287216425 /nfs/dbraw/zinc/21/64/25/287216425.db2.gz SUKCLAYPEJNNST-JLSDUUJJSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000294736523 297188236 /nfs/dbraw/zinc/18/82/36/297188236.db2.gz JNPFITIKYVDFPO-HYVNUMGLSA-N 2 2 290.476 3.165 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000020135974 171023059 /nfs/dbraw/zinc/02/30/59/171023059.db2.gz QUSFTQMBNQLBJS-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000020189160 171054216 /nfs/dbraw/zinc/05/42/16/171054216.db2.gz WCZULBWSPYKCCA-ZDUSSCGKSA-N 2 2 250.386 3.111 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+](C)C ZINC000020201554 171065734 /nfs/dbraw/zinc/06/57/34/171065734.db2.gz RJVOURKBVUSIOE-DOTOQJQBSA-N 2 2 292.467 3.279 20 0 CGADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc(Br)cc1 ZINC000022219877 171377299 /nfs/dbraw/zinc/37/72/99/171377299.db2.gz HMCNPFZJPHMGQB-ZDUSSCGKSA-N 2 2 285.229 3.051 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732803 172384050 /nfs/dbraw/zinc/38/40/50/172384050.db2.gz MYBLQXXODIOIFQ-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732803 172384053 /nfs/dbraw/zinc/38/40/53/172384053.db2.gz MYBLQXXODIOIFQ-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000037325803 173126277 /nfs/dbraw/zinc/12/62/77/173126277.db2.gz PFAPULIHMWJGLN-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CCCC3)C2)cc1 ZINC000037325803 173126279 /nfs/dbraw/zinc/12/62/79/173126279.db2.gz PFAPULIHMWJGLN-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP CC(C)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325821 173126939 /nfs/dbraw/zinc/12/69/39/173126939.db2.gz AOAJPRVBVVBSAW-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325821 173126940 /nfs/dbraw/zinc/12/69/40/173126940.db2.gz AOAJPRVBVVBSAW-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408215 173184334 /nfs/dbraw/zinc/18/43/34/173184334.db2.gz BGMMYTOCUYNAGK-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408215 173184336 /nfs/dbraw/zinc/18/43/36/173184336.db2.gz BGMMYTOCUYNAGK-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038029052 174018035 /nfs/dbraw/zinc/01/80/35/174018035.db2.gz HVNMVLLVBNUMIT-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP c1ccc(Oc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000038086929 174097992 /nfs/dbraw/zinc/09/79/92/174097992.db2.gz CNFUFMYFTJFRGE-UHFFFAOYSA-N 2 2 282.387 3.274 20 0 CGADLP c1ccc(Oc2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000038086929 174097993 /nfs/dbraw/zinc/09/79/93/174097993.db2.gz CNFUFMYFTJFRGE-UHFFFAOYSA-N 2 2 282.387 3.274 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000043326263 175007774 /nfs/dbraw/zinc/00/77/74/175007774.db2.gz JPRJLXZSFITNIL-KBPBESRZSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533905 175062678 /nfs/dbraw/zinc/06/26/78/175062678.db2.gz MTRNNTILLFDTKQ-HUUCEWRRSA-N 2 2 257.381 3.055 20 0 CGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000128272453 287307507 /nfs/dbraw/zinc/30/75/07/287307507.db2.gz HMRGWYRIWZYGNO-QGZVFWFLSA-N 2 2 290.476 3.093 20 0 CGADLP CCCOc1cccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC000071314908 176120938 /nfs/dbraw/zinc/12/09/38/176120938.db2.gz IXLPCBPKTZZYLW-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1cccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC000071314908 176120940 /nfs/dbraw/zinc/12/09/40/176120940.db2.gz IXLPCBPKTZZYLW-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP c1ccc2[nH+]c([C@@H]3CCCN(c4cc[nH+]cc4)C3)[nH]c2c1 ZINC000077320172 177252610 /nfs/dbraw/zinc/25/26/10/177252610.db2.gz LOUCGCLSBYULEQ-CYBMUJFWSA-N 2 2 278.359 3.342 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c(C)s1 ZINC000401726533 416545826 /nfs/dbraw/zinc/54/58/26/416545826.db2.gz QUDVFLDALUGNFB-GAFUQQFSSA-N 2 2 252.427 3.014 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000679216952 543599984 /nfs/dbraw/zinc/59/99/84/543599984.db2.gz HBWZNORROZXPRD-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000679216952 543599986 /nfs/dbraw/zinc/59/99/86/543599986.db2.gz HBWZNORROZXPRD-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP CCC(CC)(CC)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000679840340 543664573 /nfs/dbraw/zinc/66/45/73/543664573.db2.gz FVIAAYFGSMOSDO-HNNXBMFYSA-N 2 2 272.502 3.230 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)c[nH+]1 ZINC000680372355 543705377 /nfs/dbraw/zinc/70/53/77/543705377.db2.gz FKKJDOAVGISBMJ-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)c[nH+]1 ZINC000680372355 543705379 /nfs/dbraw/zinc/70/53/79/543705379.db2.gz FKKJDOAVGISBMJ-GOSISDBHSA-N 2 2 299.418 3.127 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000681972849 543813216 /nfs/dbraw/zinc/81/32/16/543813216.db2.gz JRSXDIFQSMRWIF-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000681972849 543813219 /nfs/dbraw/zinc/81/32/19/543813219.db2.gz JRSXDIFQSMRWIF-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000682157289 543831333 /nfs/dbraw/zinc/83/13/33/543831333.db2.gz ZKEFITTZXHLCEV-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000682157289 543831335 /nfs/dbraw/zinc/83/13/35/543831335.db2.gz ZKEFITTZXHLCEV-DOMZBBRYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[N@H+](C)C1CC1 ZINC000131068326 287369887 /nfs/dbraw/zinc/36/98/87/287369887.db2.gz PGGKRUYQZACJJX-VHDGCEQUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[N@@H+](C)C1CC1 ZINC000131068326 287369890 /nfs/dbraw/zinc/36/98/90/287369890.db2.gz PGGKRUYQZACJJX-VHDGCEQUSA-N 2 2 250.430 3.028 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000131121353 287371310 /nfs/dbraw/zinc/37/13/10/287371310.db2.gz GLKWZXJFJOROCB-AEFFLSMTSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000683690203 543931973 /nfs/dbraw/zinc/93/19/73/543931973.db2.gz ZBPIHYMJTNELJZ-QLFBSQMISA-N 2 2 294.439 3.046 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000683690203 543931976 /nfs/dbraw/zinc/93/19/76/543931976.db2.gz ZBPIHYMJTNELJZ-QLFBSQMISA-N 2 2 294.439 3.046 20 0 CGADLP Oc1cccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c12 ZINC000684580830 544016934 /nfs/dbraw/zinc/01/69/34/544016934.db2.gz KNYVHOAFYVDYJY-UHFFFAOYSA-N 2 2 282.347 3.029 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2nc3c(cccc3C)[nH]2)c[nH+]1 ZINC000684390467 543991776 /nfs/dbraw/zinc/99/17/76/543991776.db2.gz YQRQDNIGKCXHDV-UHFFFAOYSA-N 2 2 294.402 3.297 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCc3occc3C2)c[nH+]1 ZINC000685477497 544080820 /nfs/dbraw/zinc/08/08/20/544080820.db2.gz CREUHIUWWJQMNE-UHFFFAOYSA-N 2 2 270.376 3.364 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCc3occc3C2)c[nH+]1 ZINC000685477497 544080821 /nfs/dbraw/zinc/08/08/21/544080821.db2.gz CREUHIUWWJQMNE-UHFFFAOYSA-N 2 2 270.376 3.364 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000352834650 227311200 /nfs/dbraw/zinc/31/12/00/227311200.db2.gz VNJOCELABCOEND-BFQNTYOBSA-N 2 2 278.465 3.060 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000352834650 227311204 /nfs/dbraw/zinc/31/12/04/227311204.db2.gz VNJOCELABCOEND-BFQNTYOBSA-N 2 2 278.465 3.060 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653299404 419025609 /nfs/dbraw/zinc/02/56/09/419025609.db2.gz SCWJWSMVOANAPU-GXFFZTMASA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653299404 419025613 /nfs/dbraw/zinc/02/56/13/419025613.db2.gz SCWJWSMVOANAPU-GXFFZTMASA-N 2 2 291.420 3.023 20 0 CGADLP c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)onc1C1CC1 ZINC000659943267 419040182 /nfs/dbraw/zinc/04/01/82/419040182.db2.gz ABRWUGRLEQILQA-OAHLLOKOSA-N 2 2 289.423 3.002 20 0 CGADLP c1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)onc1C1CC1 ZINC000659943267 419040186 /nfs/dbraw/zinc/04/01/86/419040186.db2.gz ABRWUGRLEQILQA-OAHLLOKOSA-N 2 2 289.423 3.002 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728903 419080765 /nfs/dbraw/zinc/08/07/65/419080765.db2.gz ZZZYTRVZSMAGRT-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000660129270 419084879 /nfs/dbraw/zinc/08/48/79/419084879.db2.gz POGQSJYJOQPGKV-HUUCEWRRSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000660129270 419084883 /nfs/dbraw/zinc/08/48/83/419084883.db2.gz POGQSJYJOQPGKV-HUUCEWRRSA-N 2 2 275.440 3.426 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655749631 419087241 /nfs/dbraw/zinc/08/72/41/419087241.db2.gz VJGJUEOAKOBODJ-MRXNPFEDSA-N 2 2 284.407 3.200 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)C[N@@H+]1Cc1ccccc1 ZINC000665233235 419087548 /nfs/dbraw/zinc/08/75/48/419087548.db2.gz CCNZOYBZAOHHDJ-KXBFYZLASA-N 2 2 295.430 3.021 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N)c2)C[N@H+]1Cc1ccccc1 ZINC000665233235 419087551 /nfs/dbraw/zinc/08/75/51/419087551.db2.gz CCNZOYBZAOHHDJ-KXBFYZLASA-N 2 2 295.430 3.021 20 0 CGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000665252683 419093713 /nfs/dbraw/zinc/09/37/13/419093713.db2.gz WKJHQFSFBHNCOB-BRWVUGGUSA-N 2 2 270.420 3.054 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000665296340 419108770 /nfs/dbraw/zinc/10/87/70/419108770.db2.gz RHBFUULCOIJWSF-FZMZJTMJSA-N 2 2 274.433 3.476 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000665295709 419108917 /nfs/dbraw/zinc/10/89/17/419108917.db2.gz HUVAWJJNMFWTQO-CZUORRHYSA-N 2 2 276.424 3.221 20 0 CGADLP CCOc1ccc([C@H](CC)[NH2+][C@H](C)C[NH2+]C)cc1OCC ZINC000665296105 419108989 /nfs/dbraw/zinc/10/89/89/419108989.db2.gz MUYBEVUNVFQYCM-HIFRSBDPSA-N 2 2 294.439 3.133 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH2+]C ZINC000665295770 419109367 /nfs/dbraw/zinc/10/93/67/419109367.db2.gz ISSBMGDBEQSWGN-YPMHNXCESA-N 2 2 286.872 3.408 20 0 CGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC2(CCCCC2)O1 ZINC000653905190 419109779 /nfs/dbraw/zinc/10/97/79/419109779.db2.gz WCIQWYHAKCOBTJ-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC2(CCCCC2)O1 ZINC000653905190 419109783 /nfs/dbraw/zinc/10/97/83/419109783.db2.gz WCIQWYHAKCOBTJ-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000665298427 419110365 /nfs/dbraw/zinc/11/03/65/419110365.db2.gz VWWIIWGJFYSPKP-RDTXWAMCSA-N 2 2 286.394 3.307 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc2ccccc21 ZINC000665297647 419110576 /nfs/dbraw/zinc/11/05/76/419110576.db2.gz JDXJPZLDCVLQHI-SUMWQHHRSA-N 2 2 256.393 3.488 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848495 419118218 /nfs/dbraw/zinc/11/82/18/419118218.db2.gz GEVVHUIYDVWHHH-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848495 419118222 /nfs/dbraw/zinc/11/82/22/419118222.db2.gz GEVVHUIYDVWHHH-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848735 419118229 /nfs/dbraw/zinc/11/82/29/419118229.db2.gz KBINUIKEWUFUCB-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848735 419118232 /nfs/dbraw/zinc/11/82/32/419118232.db2.gz KBINUIKEWUFUCB-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849503 419119831 /nfs/dbraw/zinc/11/98/31/419119831.db2.gz WEQGXJMIQYJEDB-BHYGNILZSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849503 419119836 /nfs/dbraw/zinc/11/98/36/419119836.db2.gz WEQGXJMIQYJEDB-BHYGNILZSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655855634 419122791 /nfs/dbraw/zinc/12/27/91/419122791.db2.gz FQJOSUZTDDPOFU-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655855634 419122792 /nfs/dbraw/zinc/12/27/92/419122792.db2.gz FQJOSUZTDDPOFU-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856038 419123102 /nfs/dbraw/zinc/12/31/02/419123102.db2.gz LBHAIRDDIDQBNP-MXNAJAOXSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856038 419123104 /nfs/dbraw/zinc/12/31/04/419123104.db2.gz LBHAIRDDIDQBNP-MXNAJAOXSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000655680955 419063249 /nfs/dbraw/zinc/06/32/49/419063249.db2.gz VRTNXVMEDCTOAY-DJIMGWMZSA-N 2 2 292.492 3.033 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000655684000 419063726 /nfs/dbraw/zinc/06/37/26/419063726.db2.gz LQJFTENHWTXPJJ-MRXNPFEDSA-N 2 2 269.392 3.167 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000653673313 419068698 /nfs/dbraw/zinc/06/86/98/419068698.db2.gz SDJMJQZLEMQLJG-GOEBONIOSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C1CC1 ZINC000653673313 419068701 /nfs/dbraw/zinc/06/87/01/419068701.db2.gz SDJMJQZLEMQLJG-GOEBONIOSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000653674426 419069346 /nfs/dbraw/zinc/06/93/46/419069346.db2.gz DBDYBRXNNPVZSF-GDBMZVCRSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674426 419069348 /nfs/dbraw/zinc/06/93/48/419069348.db2.gz DBDYBRXNNPVZSF-GDBMZVCRSA-N 2 2 264.457 3.371 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660068729 419071062 /nfs/dbraw/zinc/07/10/62/419071062.db2.gz PSTICHFHXWZWFR-QWHCGFSZSA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660068729 419071064 /nfs/dbraw/zinc/07/10/64/419071064.db2.gz PSTICHFHXWZWFR-QWHCGFSZSA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655705103 419071082 /nfs/dbraw/zinc/07/10/82/419071082.db2.gz WAZHLWURTUVGLI-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943414 419129772 /nfs/dbraw/zinc/12/97/72/419129772.db2.gz ODQRBXXBVRGNCU-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943414 419129774 /nfs/dbraw/zinc/12/97/74/419129774.db2.gz ODQRBXXBVRGNCU-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](CCCC3CCC3)C2)cc[nH+]1 ZINC000660434185 419142941 /nfs/dbraw/zinc/14/29/41/419142941.db2.gz FLIWJOXHQWXRKQ-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](CCCC3CCC3)C2)cc[nH+]1 ZINC000660434185 419142944 /nfs/dbraw/zinc/14/29/44/419142944.db2.gz FLIWJOXHQWXRKQ-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660434057 419143056 /nfs/dbraw/zinc/14/30/56/419143056.db2.gz DRRSYIORSPRTPK-GXTWGEPZSA-N 2 2 284.350 3.216 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660434057 419143059 /nfs/dbraw/zinc/14/30/59/419143059.db2.gz DRRSYIORSPRTPK-GXTWGEPZSA-N 2 2 284.350 3.216 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656225685 419153977 /nfs/dbraw/zinc/15/39/77/419153977.db2.gz IWCUVJATDYERFX-ZBFHGGJFSA-N 2 2 284.407 3.002 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656225685 419153981 /nfs/dbraw/zinc/15/39/81/419153981.db2.gz IWCUVJATDYERFX-ZBFHGGJFSA-N 2 2 284.407 3.002 20 0 CGADLP COc1c(C)cccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000656269437 419161530 /nfs/dbraw/zinc/16/15/30/419161530.db2.gz QQZUNHNIOBCXJO-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@@H]1CCCCO1 ZINC000656276887 419163562 /nfs/dbraw/zinc/16/35/62/419163562.db2.gz JLLMJPGGTLNYNQ-IRXDYDNUSA-N 2 2 276.424 3.260 20 0 CGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@@H]1CCCCO1 ZINC000656276888 419164127 /nfs/dbraw/zinc/16/41/27/419164127.db2.gz JLLMJPGGTLNYNQ-SJORKVTESA-N 2 2 276.424 3.260 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000656399139 419168630 /nfs/dbraw/zinc/16/86/30/419168630.db2.gz AHCVKJXSHAOZGQ-UHFFFAOYSA-N 2 2 297.324 3.113 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000666088749 419188998 /nfs/dbraw/zinc/18/89/98/419188998.db2.gz QBRJPRJGRLGCGJ-KBPBESRZSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666088749 419188999 /nfs/dbraw/zinc/18/89/99/419188999.db2.gz QBRJPRJGRLGCGJ-KBPBESRZSA-N 2 2 290.838 3.024 20 0 CGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1C[C@H]1C ZINC000666094270 419189637 /nfs/dbraw/zinc/18/96/37/419189637.db2.gz SOJNWGJAZCJKTD-TXCZRRACSA-N 2 2 283.419 3.338 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000655857384 419125657 /nfs/dbraw/zinc/12/56/57/419125657.db2.gz UDNDTSIRUZICDO-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000655857384 419125659 /nfs/dbraw/zinc/12/56/59/419125659.db2.gz UDNDTSIRUZICDO-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC000657287337 419243245 /nfs/dbraw/zinc/24/32/45/419243245.db2.gz YFCCFMVSRDFGAQ-SQNIBIBYSA-N 2 2 290.451 3.009 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)C1CC1)CCC2 ZINC000657294910 419244591 /nfs/dbraw/zinc/24/45/91/419244591.db2.gz HIIYOMFNEPUFKT-QGZVFWFLSA-N 2 2 267.376 3.070 20 0 CGADLP CC[NH+](CC)[C@H](CNCc1[nH+]ccn1C(C)C)CC(C)C ZINC000657304249 419246808 /nfs/dbraw/zinc/24/68/08/419246808.db2.gz VYUHXBOYLZMHON-INIZCTEOSA-N 2 2 294.487 3.310 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@@H](C1CCCCC1)[NH+](C)C ZINC000657312097 419248495 /nfs/dbraw/zinc/24/84/95/419248495.db2.gz BUGOMFCUFAYCRY-INIZCTEOSA-N 2 2 292.471 3.064 20 0 CGADLP CC[NH+](CC)Cc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657321869 419250211 /nfs/dbraw/zinc/25/02/11/419250211.db2.gz KBTCMNKEQRAHJC-UHFFFAOYSA-N 2 2 272.396 3.172 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000657338687 419254781 /nfs/dbraw/zinc/25/47/81/419254781.db2.gz DYERYAKCWASXOS-UHFFFAOYSA-N 2 2 287.382 3.036 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661436913 419260489 /nfs/dbraw/zinc/26/04/89/419260489.db2.gz WXEBVKHWTVIEHW-INIZCTEOSA-N 2 2 285.391 3.173 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661436913 419260492 /nfs/dbraw/zinc/26/04/92/419260492.db2.gz WXEBVKHWTVIEHW-INIZCTEOSA-N 2 2 285.391 3.173 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387334 419267040 /nfs/dbraw/zinc/26/70/40/419267040.db2.gz OFOLWYVMWMESDP-OCCSQVGLSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228667 419200020 /nfs/dbraw/zinc/20/00/20/419200020.db2.gz VIVPQFMBDFLWGE-VRKREXBASA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228667 419200025 /nfs/dbraw/zinc/20/00/25/419200025.db2.gz VIVPQFMBDFLWGE-VRKREXBASA-N 2 2 294.389 3.140 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)c1ccc(F)cc1F ZINC000656682485 419200952 /nfs/dbraw/zinc/20/09/52/419200952.db2.gz SLTQZRQYLHNSEW-ABAIWWIYSA-N 2 2 270.367 3.346 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3cccs3)n2)CCCC1 ZINC000656788813 419220996 /nfs/dbraw/zinc/22/09/96/419220996.db2.gz ZTJROYIICTUZMC-UHFFFAOYSA-N 2 2 293.461 3.233 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000657390295 419268212 /nfs/dbraw/zinc/26/82/12/419268212.db2.gz WXWKDVGUGUUABX-HOCLYGCPSA-N 2 2 288.435 3.109 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000657390295 419268214 /nfs/dbraw/zinc/26/82/14/419268214.db2.gz WXWKDVGUGUUABX-HOCLYGCPSA-N 2 2 288.435 3.109 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661135186 419234228 /nfs/dbraw/zinc/23/42/28/419234228.db2.gz CIHDUWPFBJAZII-UHFFFAOYSA-N 2 2 277.437 3.325 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000661135186 419234231 /nfs/dbraw/zinc/23/42/31/419234231.db2.gz CIHDUWPFBJAZII-UHFFFAOYSA-N 2 2 277.437 3.325 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657285345 419242279 /nfs/dbraw/zinc/24/22/79/419242279.db2.gz DMZWHLFVUCXADZ-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000657439947 419279932 /nfs/dbraw/zinc/27/99/32/419279932.db2.gz IQFRDSHLOVYRAO-MRXNPFEDSA-N 2 2 299.418 3.085 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000657523981 419297234 /nfs/dbraw/zinc/29/72/34/419297234.db2.gz NASDAWIJGIDSQW-INIZCTEOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000657523981 419297235 /nfs/dbraw/zinc/29/72/35/419297235.db2.gz NASDAWIJGIDSQW-INIZCTEOSA-N 2 2 260.425 3.266 20 0 CGADLP CC[C@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CC1 ZINC000657690400 419328551 /nfs/dbraw/zinc/32/85/51/419328551.db2.gz UXKLRWOCUDHAEZ-INIZCTEOSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)n1C ZINC000657661559 419321447 /nfs/dbraw/zinc/32/14/47/419321447.db2.gz YMVJYBFIXUEZIN-UHFFFAOYSA-N 2 2 284.190 3.325 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000657733720 419333111 /nfs/dbraw/zinc/33/31/11/419333111.db2.gz LPKMJUDHRDFTFS-ZJPYXAASSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000657733720 419333112 /nfs/dbraw/zinc/33/31/12/419333112.db2.gz LPKMJUDHRDFTFS-ZJPYXAASSA-N 2 2 284.447 3.428 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3C(C)(C)C3(F)F)n2c1 ZINC000657737636 419333978 /nfs/dbraw/zinc/33/39/78/419333978.db2.gz LQNHXDBXLJSWGE-LBPRGKRZSA-N 2 2 279.334 3.024 20 0 CGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000657768157 419341797 /nfs/dbraw/zinc/34/17/97/419341797.db2.gz WQCYXZVOKXMJII-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccncc2s1 ZINC000657817419 419368242 /nfs/dbraw/zinc/36/82/42/419368242.db2.gz OEHVQCSQPRCAHO-LBPRGKRZSA-N 2 2 286.404 3.234 20 0 CGADLP C[N@H+](CCSc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000662274345 419381153 /nfs/dbraw/zinc/38/11/53/419381153.db2.gz VXGOGVXLQPYYLI-AWEZNQCLSA-N 2 2 284.856 3.101 20 0 CGADLP C[N@@H+](CCSc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000662274345 419381160 /nfs/dbraw/zinc/38/11/60/419381160.db2.gz VXGOGVXLQPYYLI-AWEZNQCLSA-N 2 2 284.856 3.101 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657841597 419383544 /nfs/dbraw/zinc/38/35/44/419383544.db2.gz HPEMTDCBVPSMOR-IAGOWNOFSA-N 2 2 292.492 3.035 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2cnccc2o1 ZINC000657842417 419383866 /nfs/dbraw/zinc/38/38/66/419383866.db2.gz DLVPDFQIAQTRKX-CYBMUJFWSA-N 2 2 284.363 3.155 20 0 CGADLP Cc1ncccc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185674424 287552277 /nfs/dbraw/zinc/55/22/77/287552277.db2.gz FUHPBHDFFZEAFN-QAPCUYQASA-N 2 2 283.419 3.171 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000658054300 419522177 /nfs/dbraw/zinc/52/21/77/419522177.db2.gz DCBDLZJYZRAPRF-HOTGVXAUSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000658054300 419522180 /nfs/dbraw/zinc/52/21/80/419522180.db2.gz DCBDLZJYZRAPRF-HOTGVXAUSA-N 2 2 292.854 3.270 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054653 419524570 /nfs/dbraw/zinc/52/45/70/419524570.db2.gz FWJMOSHHJYZAHF-KGLIPLIRSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054653 419524577 /nfs/dbraw/zinc/52/45/77/419524577.db2.gz FWJMOSHHJYZAHF-KGLIPLIRSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658060469 419531574 /nfs/dbraw/zinc/53/15/74/419531574.db2.gz ZRSZRVOETPBDBD-OCCSQVGLSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658060469 419531582 /nfs/dbraw/zinc/53/15/82/419531582.db2.gz ZRSZRVOETPBDBD-OCCSQVGLSA-N 2 2 266.454 3.142 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059494 419531621 /nfs/dbraw/zinc/53/16/21/419531621.db2.gz JQQFXPKIVSJIHN-PVAVHDDUSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059494 419531629 /nfs/dbraw/zinc/53/16/29/419531629.db2.gz JQQFXPKIVSJIHN-PVAVHDDUSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000658058841 419532494 /nfs/dbraw/zinc/53/24/94/419532494.db2.gz VAHLNZNBIZPVQS-ZBFHGGJFSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000658058841 419532498 /nfs/dbraw/zinc/53/24/98/419532498.db2.gz VAHLNZNBIZPVQS-ZBFHGGJFSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090396 419565753 /nfs/dbraw/zinc/56/57/53/419565753.db2.gz HCCKDEDXODEZSS-YOEHRIQHSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090396 419565754 /nfs/dbraw/zinc/56/57/54/419565754.db2.gz HCCKDEDXODEZSS-YOEHRIQHSA-N 2 2 272.436 3.445 20 0 CGADLP COc1cccc(C2([NH2+]CC[NH2+]C(C)(C)C)CCC2)c1 ZINC000663501862 419637651 /nfs/dbraw/zinc/63/76/51/419637651.db2.gz BGZIIPICFYXZBO-UHFFFAOYSA-N 2 2 276.424 3.052 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000658092832 419569614 /nfs/dbraw/zinc/56/96/14/419569614.db2.gz RPPQDESTLPYQEO-GOEBONIOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000658092832 419569621 /nfs/dbraw/zinc/56/96/21/419569621.db2.gz RPPQDESTLPYQEO-GOEBONIOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000658094815 419570272 /nfs/dbraw/zinc/57/02/72/419570272.db2.gz BAHXYHICMGGABJ-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000658094815 419570281 /nfs/dbraw/zinc/57/02/81/419570281.db2.gz BAHXYHICMGGABJ-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663386444 419587631 /nfs/dbraw/zinc/58/76/31/419587631.db2.gz MGDLRBLJZIJMAA-NSHDSACASA-N 2 2 299.340 3.305 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663386444 419587639 /nfs/dbraw/zinc/58/76/39/419587639.db2.gz MGDLRBLJZIJMAA-NSHDSACASA-N 2 2 299.340 3.305 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285309 419733728 /nfs/dbraw/zinc/73/37/28/419733728.db2.gz JWAJCGHJRPDRPF-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285309 419733736 /nfs/dbraw/zinc/73/37/36/419733736.db2.gz JWAJCGHJRPDRPF-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000658295928 419744723 /nfs/dbraw/zinc/74/47/23/419744723.db2.gz PSIALMOSPNDKCM-HZPDHXFCSA-N 2 2 294.464 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000212737333 287627390 /nfs/dbraw/zinc/62/73/90/287627390.db2.gz CUMKYRAWXCDTTO-WDEREUQCSA-N 2 2 281.762 3.415 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223114292 260272196 /nfs/dbraw/zinc/27/21/96/260272196.db2.gz PWZAXWMCZKHWMK-JHNDHUHGSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223114292 260272198 /nfs/dbraw/zinc/27/21/98/260272198.db2.gz PWZAXWMCZKHWMK-JHNDHUHGSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000230998869 287642148 /nfs/dbraw/zinc/64/21/48/287642148.db2.gz VTAZFHRYVTUIGX-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000231690538 287643536 /nfs/dbraw/zinc/64/35/36/287643536.db2.gz NZQJVSGHEUBHAO-JLJPHGGASA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000036854491 270028587 /nfs/dbraw/zinc/02/85/87/270028587.db2.gz QQZYQVKCGGMRMQ-PVAVHDDUSA-N 2 2 260.425 3.458 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc3ncccc3c2)c[nH+]1 ZINC000044353326 270035326 /nfs/dbraw/zinc/03/53/26/270035326.db2.gz DYJPTXANFKNRAU-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000186577024 270066422 /nfs/dbraw/zinc/06/64/22/270066422.db2.gz NISVBXYBGQXUMB-UHFFFAOYSA-N 2 2 289.345 3.232 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000223075518 270086237 /nfs/dbraw/zinc/08/62/37/270086237.db2.gz RIOOXEZETFTOTH-WMLDXEAASA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000223075518 270086238 /nfs/dbraw/zinc/08/62/38/270086238.db2.gz RIOOXEZETFTOTH-WMLDXEAASA-N 2 2 260.425 3.456 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](c1ccccc1)C(C)C)C1CC1 ZINC000223063017 270086258 /nfs/dbraw/zinc/08/62/58/270086258.db2.gz MCXBCDQHCROZMP-KRWDZBQOSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](c1ccccc1)C(C)C)C1CC1 ZINC000223063017 270086259 /nfs/dbraw/zinc/08/62/59/270086259.db2.gz MCXBCDQHCROZMP-KRWDZBQOSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250230302 270091279 /nfs/dbraw/zinc/09/12/79/270091279.db2.gz GBRXIIMEJOSFGZ-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250230302 270091280 /nfs/dbraw/zinc/09/12/80/270091280.db2.gz GBRXIIMEJOSFGZ-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000315800054 270092798 /nfs/dbraw/zinc/09/27/98/270092798.db2.gz BYBRIHYGMSUWKX-KRWDZBQOSA-N 2 2 294.402 3.422 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977515 270121433 /nfs/dbraw/zinc/12/14/33/270121433.db2.gz PFQROWIMLGVNBB-CABCVRRESA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977515 270121434 /nfs/dbraw/zinc/12/14/34/270121434.db2.gz PFQROWIMLGVNBB-CABCVRRESA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000525977515 270121435 /nfs/dbraw/zinc/12/14/35/270121435.db2.gz PFQROWIMLGVNBB-CABCVRRESA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000525977515 270121436 /nfs/dbraw/zinc/12/14/36/270121436.db2.gz PFQROWIMLGVNBB-CABCVRRESA-N 2 2 268.420 3.075 20 0 CGADLP CC1(C)CC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000527113522 270125673 /nfs/dbraw/zinc/12/56/73/270125673.db2.gz SUIMQVLKCRBTBX-UHFFFAOYSA-N 2 2 273.424 3.076 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000527690049 270131765 /nfs/dbraw/zinc/13/17/65/270131765.db2.gz BHEKPXSTIAJOJL-QAPCUYQASA-N 2 2 283.419 3.171 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)c2)c[nH+]1 ZINC000527733109 270132889 /nfs/dbraw/zinc/13/28/89/270132889.db2.gz GTHHJNKOVPMFSQ-MCIONIFRSA-N 2 2 287.432 3.460 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527804739 270137121 /nfs/dbraw/zinc/13/71/21/270137121.db2.gz APDGGYGOYGLHQZ-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527804739 270137122 /nfs/dbraw/zinc/13/71/22/270137122.db2.gz APDGGYGOYGLHQZ-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808048 270137499 /nfs/dbraw/zinc/13/74/99/270137499.db2.gz PKEAILDROGQYBM-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808048 270137500 /nfs/dbraw/zinc/13/75/00/270137500.db2.gz PKEAILDROGQYBM-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527813498 270137942 /nfs/dbraw/zinc/13/79/42/270137942.db2.gz XBVXBVUGXRJSOZ-UHOSZYNNSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527813498 270137943 /nfs/dbraw/zinc/13/79/43/270137943.db2.gz XBVXBVUGXRJSOZ-UHOSZYNNSA-N 2 2 284.447 3.397 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527813949 270138022 /nfs/dbraw/zinc/13/80/22/270138022.db2.gz ZVRZWXXUTTZHGE-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527813949 270138023 /nfs/dbraw/zinc/13/80/23/270138023.db2.gz ZVRZWXXUTTZHGE-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527845828 270139087 /nfs/dbraw/zinc/13/90/87/270139087.db2.gz JSCFYMCUEIOPNC-GXTWGEPZSA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527844025 270139138 /nfs/dbraw/zinc/13/91/38/270139138.db2.gz GXQCVOWASZNORO-BPUTZDHNSA-N 2 2 258.409 3.068 20 0 CGADLP COc1ccc[nH+]c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000527842974 270139234 /nfs/dbraw/zinc/13/92/34/270139234.db2.gz QMIYZCILHWCGET-UHFFFAOYSA-N 2 2 297.402 3.298 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527854772 270140107 /nfs/dbraw/zinc/14/01/07/270140107.db2.gz XRBPLIKLHYKHIN-WBVHZDCISA-N 2 2 295.430 3.252 20 0 CGADLP CC(C)c1cccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000527913699 270143761 /nfs/dbraw/zinc/14/37/61/270143761.db2.gz LCLRPDCBBFHLCA-CQSZACIVSA-N 2 2 271.408 3.437 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1[nH+]ccc2ccccc21 ZINC000527933501 270145478 /nfs/dbraw/zinc/14/54/78/270145478.db2.gz GBIQHFBXCQSXBK-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP c1ccc2c(c1)CC([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C2 ZINC000527944881 270146007 /nfs/dbraw/zinc/14/60/07/270146007.db2.gz DLFGOIGNQTUBRO-LJQANCHMSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C2 ZINC000527944881 270146008 /nfs/dbraw/zinc/14/60/08/270146008.db2.gz DLFGOIGNQTUBRO-LJQANCHMSA-N 2 2 284.447 3.150 20 0 CGADLP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527949110 270146335 /nfs/dbraw/zinc/14/63/35/270146335.db2.gz OANIBBCPAULTAL-OAHLLOKOSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527949110 270146336 /nfs/dbraw/zinc/14/63/36/270146336.db2.gz OANIBBCPAULTAL-OAHLLOKOSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010967 270151203 /nfs/dbraw/zinc/15/12/03/270151203.db2.gz KVAVYVMDCXINOA-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010967 270151204 /nfs/dbraw/zinc/15/12/04/270151204.db2.gz KVAVYVMDCXINOA-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000528422954 270165122 /nfs/dbraw/zinc/16/51/22/270165122.db2.gz GTLROPQNNACPCY-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000528422954 270165123 /nfs/dbraw/zinc/16/51/23/270165123.db2.gz GTLROPQNNACPCY-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529531996 270182989 /nfs/dbraw/zinc/18/29/89/270182989.db2.gz GPWKWRPGBBFPAV-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529531996 270182990 /nfs/dbraw/zinc/18/29/90/270182990.db2.gz GPWKWRPGBBFPAV-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530216002 270195748 /nfs/dbraw/zinc/19/57/48/270195748.db2.gz LOBZEDOEFRODHT-CABCVRRESA-N 2 2 262.372 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217871 270196000 /nfs/dbraw/zinc/19/60/00/270196000.db2.gz HUQIFHOEQYYIFR-FZMZJTMJSA-N 2 2 264.800 3.275 20 0 CGADLP FC(F)(F)c1cccc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000530232712 270196891 /nfs/dbraw/zinc/19/68/91/270196891.db2.gz ABJBFIDAFUVFFW-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1cccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000530232712 270196892 /nfs/dbraw/zinc/19/68/92/270196892.db2.gz ABJBFIDAFUVFFW-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000531939722 270210844 /nfs/dbraw/zinc/21/08/44/270210844.db2.gz WXLSKJGDVQCCKY-WBVHZDCISA-N 2 2 262.441 3.328 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531811325 270210109 /nfs/dbraw/zinc/21/01/09/270210109.db2.gz KECURMQGLFDAFO-QAEGFZEYSA-N 2 2 270.420 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531811325 270210110 /nfs/dbraw/zinc/21/01/10/270210110.db2.gz KECURMQGLFDAFO-QAEGFZEYSA-N 2 2 270.420 3.162 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000531952412 270211424 /nfs/dbraw/zinc/21/14/24/270211424.db2.gz XNSBBLVKAOIGAJ-UXLLHSPISA-N 2 2 274.452 3.283 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000531952412 270211425 /nfs/dbraw/zinc/21/14/25/270211425.db2.gz XNSBBLVKAOIGAJ-UXLLHSPISA-N 2 2 274.452 3.283 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979026 270212039 /nfs/dbraw/zinc/21/20/39/270212039.db2.gz WYQSNEWUXUFXTC-CABCVRRESA-N 2 2 292.492 3.490 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979026 270212040 /nfs/dbraw/zinc/21/20/40/270212040.db2.gz WYQSNEWUXUFXTC-CABCVRRESA-N 2 2 292.492 3.490 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531980276 270212082 /nfs/dbraw/zinc/21/20/82/270212082.db2.gz QIBBAXRGMJHTPH-QAPCUYQASA-N 2 2 286.463 3.254 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983905 270212150 /nfs/dbraw/zinc/21/21/50/270212150.db2.gz LYWFSTONNMYWBB-HZPDHXFCSA-N 2 2 290.451 3.468 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983905 270212151 /nfs/dbraw/zinc/21/21/51/270212151.db2.gz LYWFSTONNMYWBB-HZPDHXFCSA-N 2 2 290.451 3.468 20 0 CGADLP CCC(CC)(C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000531984671 270212164 /nfs/dbraw/zinc/21/21/64/270212164.db2.gz NFSWTPOTLWYIKX-WBVHZDCISA-N 2 2 274.452 3.284 20 0 CGADLP CCC(CC)(C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000531984671 270212165 /nfs/dbraw/zinc/21/21/65/270212165.db2.gz NFSWTPOTLWYIKX-WBVHZDCISA-N 2 2 274.452 3.284 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423391498 273687131 /nfs/dbraw/zinc/68/71/31/273687131.db2.gz WWIVGYSREZPEJJ-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423392502 273686935 /nfs/dbraw/zinc/68/69/35/273686935.db2.gz XOUSFXZXJRNAER-IAQYHMDHSA-N 2 2 266.816 3.305 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[NH+](C)[C@H](C)C3)cc(C)[nH+]c12 ZINC000338794296 274150431 /nfs/dbraw/zinc/15/04/31/274150431.db2.gz LKIAUCLVXPYESB-ZIAGYGMSSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1c(F)cncc1F ZINC000353923425 274243854 /nfs/dbraw/zinc/24/38/54/274243854.db2.gz QEQHKZIXBMPZQG-LLVKDONJSA-N 2 2 297.393 3.273 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000423238305 275749761 /nfs/dbraw/zinc/74/97/61/275749761.db2.gz JBLFSHCZULIENT-UTJXIGIESA-N 2 2 260.425 3.444 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1cccnc1 ZINC000184990537 276025529 /nfs/dbraw/zinc/02/55/29/276025529.db2.gz DAVIDKAVMAKYIQ-DLBZAZTESA-N 2 2 275.440 3.387 20 0 CGADLP CC[C@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+]1CCCC1 ZINC000453098867 287866133 /nfs/dbraw/zinc/86/61/33/287866133.db2.gz XHZFJLXBPZNBRQ-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858242 276074927 /nfs/dbraw/zinc/07/49/27/276074927.db2.gz CSFWURSREOGHHG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858242 276074928 /nfs/dbraw/zinc/07/49/28/276074928.db2.gz CSFWURSREOGHHG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858242 276074929 /nfs/dbraw/zinc/07/49/29/276074929.db2.gz CSFWURSREOGHHG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000072858242 276074930 /nfs/dbraw/zinc/07/49/30/276074930.db2.gz CSFWURSREOGHHG-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000348310569 276109106 /nfs/dbraw/zinc/10/91/06/276109106.db2.gz HKTOPROIZQOCOX-KGLIPLIRSA-N 2 2 281.469 3.133 20 0 CGADLP CC1(C)C[C@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000178310594 276148569 /nfs/dbraw/zinc/14/85/69/276148569.db2.gz XDGGKQPGQNSYMB-INIZCTEOSA-N 2 2 258.409 3.094 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000353975438 276260214 /nfs/dbraw/zinc/26/02/14/276260214.db2.gz UWQKTUNOEWLWJO-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000353975438 276260215 /nfs/dbraw/zinc/26/02/15/276260215.db2.gz UWQKTUNOEWLWJO-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427854600 276270491 /nfs/dbraw/zinc/27/04/91/276270491.db2.gz QSOHJCABIQSWAJ-DLBZAZTESA-N 2 2 283.419 3.199 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2c(F)cccc2C1 ZINC000339776941 277046832 /nfs/dbraw/zinc/04/68/32/277046832.db2.gz KWOQOENHSWFIAZ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2c(F)cccc2C1 ZINC000339776941 277046833 /nfs/dbraw/zinc/04/68/33/277046833.db2.gz KWOQOENHSWFIAZ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000339776941 277046836 /nfs/dbraw/zinc/04/68/36/277046836.db2.gz KWOQOENHSWFIAZ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2c(F)cccc2C1 ZINC000339776941 277046837 /nfs/dbraw/zinc/04/68/37/277046837.db2.gz KWOQOENHSWFIAZ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043480 277083861 /nfs/dbraw/zinc/08/38/61/277083861.db2.gz ANRVJVDQMYLZAL-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043480 277083863 /nfs/dbraw/zinc/08/38/63/277083863.db2.gz ANRVJVDQMYLZAL-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043480 277083864 /nfs/dbraw/zinc/08/38/64/277083864.db2.gz ANRVJVDQMYLZAL-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043480 277083865 /nfs/dbraw/zinc/08/38/65/277083865.db2.gz ANRVJVDQMYLZAL-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178892 288006705 /nfs/dbraw/zinc/00/67/05/288006705.db2.gz MDMAPIWQQWLCHU-RHSMWYFYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178892 288006707 /nfs/dbraw/zinc/00/67/07/288006707.db2.gz MDMAPIWQQWLCHU-RHSMWYFYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3sccc32)CCC[N@@H+]1C ZINC000346807099 278103934 /nfs/dbraw/zinc/10/39/34/278103934.db2.gz LRCMTBBLMZSGQC-BNOWGMLFSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3sccc32)CCC[N@H+]1C ZINC000346807099 278103937 /nfs/dbraw/zinc/10/39/37/278103937.db2.gz LRCMTBBLMZSGQC-BNOWGMLFSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)[NH+](C)C ZINC000464068583 278211269 /nfs/dbraw/zinc/21/12/69/278211269.db2.gz ITNFRWKPVHZJAG-BMFZPTHFSA-N 2 2 260.425 3.108 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397691079 288027355 /nfs/dbraw/zinc/02/73/55/288027355.db2.gz ZXHGMQISBDZWME-DMRZNYOFSA-N 2 2 267.376 3.321 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000448056883 278282545 /nfs/dbraw/zinc/28/25/45/278282545.db2.gz SPXYTBKSLLAWPD-HNNXBMFYSA-N 2 2 284.447 3.356 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000448056883 278282548 /nfs/dbraw/zinc/28/25/48/278282548.db2.gz SPXYTBKSLLAWPD-HNNXBMFYSA-N 2 2 284.447 3.356 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1Cl ZINC000421820637 278283304 /nfs/dbraw/zinc/28/33/04/278283304.db2.gz NEGLUXILLPKTPN-RWMBFGLXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1Cl ZINC000421820637 278283306 /nfs/dbraw/zinc/28/33/06/278283306.db2.gz NEGLUXILLPKTPN-RWMBFGLXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1Cl ZINC000420362872 278285195 /nfs/dbraw/zinc/28/51/95/278285195.db2.gz JASMUKZPHMPCGU-UUIJZJDISA-N 2 2 266.816 3.377 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000397867988 288033199 /nfs/dbraw/zinc/03/31/99/288033199.db2.gz IFJGVNAAKBGKDI-IAGOWNOFSA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397924390 288035084 /nfs/dbraw/zinc/03/50/84/288035084.db2.gz BBIDDNJRHMJUBB-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397924390 288035086 /nfs/dbraw/zinc/03/50/86/288035086.db2.gz BBIDDNJRHMJUBB-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000177340478 278350811 /nfs/dbraw/zinc/35/08/11/278350811.db2.gz BRWXCHOVEWXSTI-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000177340478 278350813 /nfs/dbraw/zinc/35/08/13/278350813.db2.gz BRWXCHOVEWXSTI-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000417840659 278369329 /nfs/dbraw/zinc/36/93/29/278369329.db2.gz LKPKZSPWHZKAED-KGLIPLIRSA-N 2 2 294.464 3.042 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422992108 278380993 /nfs/dbraw/zinc/38/09/93/278380993.db2.gz QRMIBFFSLVBMNG-KCXAZCMYSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC=CCC1 ZINC000398308448 288042383 /nfs/dbraw/zinc/04/23/83/288042383.db2.gz QNYSDNZYSVPXPM-QGZVFWFLSA-N 2 2 267.376 3.461 20 0 CGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000429143100 288065361 /nfs/dbraw/zinc/06/53/61/288065361.db2.gz QDBYGZHYNGIBOY-INIZCTEOSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000429143100 288065364 /nfs/dbraw/zinc/06/53/64/288065364.db2.gz QDBYGZHYNGIBOY-INIZCTEOSA-N 2 2 288.435 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000471595650 288079806 /nfs/dbraw/zinc/07/98/06/288079806.db2.gz UQRGZZQWHNFUNC-XOKHGSTOSA-N 2 2 260.425 3.456 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCOC1 ZINC000423396347 288084642 /nfs/dbraw/zinc/08/46/42/288084642.db2.gz NRZSARQRNQFHDK-CEXWTWQISA-N 2 2 298.430 3.244 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccsc2S1 ZINC000336732341 278918893 /nfs/dbraw/zinc/91/88/93/278918893.db2.gz SBKBPXSZPRKRIC-ZYHUDNBSSA-N 2 2 279.434 3.160 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000492419451 288092182 /nfs/dbraw/zinc/09/21/82/288092182.db2.gz VKNYINCURFTDCD-JLLWLGSASA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000492419451 288092183 /nfs/dbraw/zinc/09/21/83/288092183.db2.gz VKNYINCURFTDCD-JLLWLGSASA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361116011 288098624 /nfs/dbraw/zinc/09/86/24/288098624.db2.gz ZXDUUPFDSPXIDE-KBRIMQKVSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361116011 288098627 /nfs/dbraw/zinc/09/86/27/288098627.db2.gz ZXDUUPFDSPXIDE-KBRIMQKVSA-N 2 2 258.409 3.068 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000410345052 279094874 /nfs/dbraw/zinc/09/48/74/279094874.db2.gz NLCVKFCVAKRDSR-HOTGVXAUSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000410345052 279094877 /nfs/dbraw/zinc/09/48/77/279094877.db2.gz NLCVKFCVAKRDSR-HOTGVXAUSA-N 2 2 252.446 3.229 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000248045983 279315061 /nfs/dbraw/zinc/31/50/61/279315061.db2.gz VDQMPGXMHMGHRT-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000248045983 279315063 /nfs/dbraw/zinc/31/50/63/279315063.db2.gz VDQMPGXMHMGHRT-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353317293 279359860 /nfs/dbraw/zinc/35/98/60/279359860.db2.gz VVLXEGDSFKBRGV-GFCCVEGCSA-N 2 2 262.388 3.130 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353317293 279359862 /nfs/dbraw/zinc/35/98/62/279359862.db2.gz VVLXEGDSFKBRGV-GFCCVEGCSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000094797570 279480417 /nfs/dbraw/zinc/48/04/17/279480417.db2.gz DTSOPNDMEAKMOR-WMLDXEAASA-N 2 2 285.391 3.092 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)ccn1 ZINC000527629485 288177204 /nfs/dbraw/zinc/17/72/04/288177204.db2.gz NTKXMSQJNUVPKV-IBGZPJMESA-N 2 2 295.430 3.317 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166331635 280025327 /nfs/dbraw/zinc/02/53/27/280025327.db2.gz BUWGOTSQMJSTNK-NNDWQROWSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166331635 280025328 /nfs/dbraw/zinc/02/53/28/280025328.db2.gz BUWGOTSQMJSTNK-NNDWQROWSA-N 2 2 288.410 3.274 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353528774 280188770 /nfs/dbraw/zinc/18/87/70/280188770.db2.gz HZUZROHTDKWAIK-SJLPKXTDSA-N 2 2 290.451 3.004 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400469261 280687763 /nfs/dbraw/zinc/68/77/63/280687763.db2.gz XDQGAPPNNIJWRK-SNPRPXQTSA-N 2 2 276.424 3.332 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]1 ZINC000529524441 288258071 /nfs/dbraw/zinc/25/80/71/288258071.db2.gz AWKXFIQEWFNOGF-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]1 ZINC000529524441 288258073 /nfs/dbraw/zinc/25/80/73/288258073.db2.gz AWKXFIQEWFNOGF-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537676 288260160 /nfs/dbraw/zinc/26/01/60/288260160.db2.gz HIOZWBMKNDUKCF-FRRDWIJNSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537676 288260164 /nfs/dbraw/zinc/26/01/64/288260164.db2.gz HIOZWBMKNDUKCF-FRRDWIJNSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1ccc2c(C)cc(NCc3[nH+]ccn3C)[nH+]c2c1 ZINC000274090661 281043734 /nfs/dbraw/zinc/04/37/34/281043734.db2.gz UEFSVEAPVOMNHE-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530178679 288295942 /nfs/dbraw/zinc/29/59/42/288295942.db2.gz PYZTUZQDZUGOKL-CYBMUJFWSA-N 2 2 285.218 3.368 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361968011 281273249 /nfs/dbraw/zinc/27/32/49/281273249.db2.gz YDXDRSSGAWMEDN-SJORKVTESA-N 2 2 290.476 3.009 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334563016 281290651 /nfs/dbraw/zinc/29/06/51/281290651.db2.gz ZTSPKLMEBPHYAW-QGZVFWFLSA-N 2 2 286.419 3.035 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532447565 288361476 /nfs/dbraw/zinc/36/14/76/288361476.db2.gz XWGWWQDLMKHKIA-IJEWVQPXSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532447565 288361477 /nfs/dbraw/zinc/36/14/77/288361477.db2.gz XWGWWQDLMKHKIA-IJEWVQPXSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532455288 288361815 /nfs/dbraw/zinc/36/18/15/288361815.db2.gz VOTONKCWSIDDAE-ZACQAIPSSA-N 2 2 282.472 3.210 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000532455288 288361817 /nfs/dbraw/zinc/36/18/17/288361817.db2.gz VOTONKCWSIDDAE-ZACQAIPSSA-N 2 2 282.472 3.210 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000551010233 289095103 /nfs/dbraw/zinc/09/51/03/289095103.db2.gz YIWWREVACUMVDW-IEBWSBKVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000551010233 289095105 /nfs/dbraw/zinc/09/51/05/289095105.db2.gz YIWWREVACUMVDW-IEBWSBKVSA-N 2 2 295.430 3.315 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551267575 289106611 /nfs/dbraw/zinc/10/66/11/289106611.db2.gz DIKAHRPOCCIUBO-QZTJIDSGSA-N 2 2 270.420 3.349 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551267575 289106615 /nfs/dbraw/zinc/10/66/15/289106615.db2.gz DIKAHRPOCCIUBO-QZTJIDSGSA-N 2 2 270.420 3.349 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551794923 289133241 /nfs/dbraw/zinc/13/32/41/289133241.db2.gz BSOYZRYVMJKCFS-BMGDILEWSA-N 2 2 290.451 3.119 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554348695 289272914 /nfs/dbraw/zinc/27/29/14/289272914.db2.gz DFRRUOIHDPPSEU-LSDHHAIUSA-N 2 2 252.446 3.133 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000554851659 289313419 /nfs/dbraw/zinc/31/34/19/289313419.db2.gz IGSXSABNECDXEA-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000554851659 289313420 /nfs/dbraw/zinc/31/34/20/289313420.db2.gz IGSXSABNECDXEA-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235439 289334982 /nfs/dbraw/zinc/33/49/82/289334982.db2.gz HBYIZKVBIWENCJ-MVJTYMMSSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235439 289334983 /nfs/dbraw/zinc/33/49/83/289334983.db2.gz HBYIZKVBIWENCJ-MVJTYMMSSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+](C)C ZINC000559074021 289533979 /nfs/dbraw/zinc/53/39/79/289533979.db2.gz SLIYZEBOADXWMH-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+]1CCC(C)CC1 ZINC000502248846 289692276 /nfs/dbraw/zinc/69/22/76/289692276.db2.gz AZTORMDPSIEVGP-VQHPVUNQSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000090667891 290275231 /nfs/dbraw/zinc/27/52/31/290275231.db2.gz PPTFGZMERHJBQY-LSDHHAIUSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423438709 301288529 /nfs/dbraw/zinc/28/85/29/301288529.db2.gz HDQLXOSMYXBIBL-MJVIPROJSA-N 2 2 282.815 3.187 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184342 301289565 /nfs/dbraw/zinc/28/95/65/301289565.db2.gz IJKNWRWXJCDAKD-UKRRQHHQSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000354918526 302209138 /nfs/dbraw/zinc/20/91/38/302209138.db2.gz IOZMJOIQTJDVDZ-CVYDXHPNSA-N 2 2 290.451 3.001 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000422873490 303136812 /nfs/dbraw/zinc/13/68/12/303136812.db2.gz LGFVMPXUJTWHPZ-BBRMVZONSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000563440903 321998306 /nfs/dbraw/zinc/99/83/06/321998306.db2.gz OECMYBWBQSZXST-DLBZAZTESA-N 2 2 269.392 3.154 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2nccn2-c2ccccc2)CCCCCC1 ZINC000563607401 322004069 /nfs/dbraw/zinc/00/40/69/322004069.db2.gz FIPUWIDHRFITFB-UHFFFAOYSA-N 2 2 298.434 3.014 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000564261629 322024567 /nfs/dbraw/zinc/02/45/67/322024567.db2.gz TXWSTIXUVHPLHT-QGZVFWFLSA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000564493138 322032577 /nfs/dbraw/zinc/03/25/77/322032577.db2.gz WYRJNCNXRKUULT-OAHLLOKOSA-N 2 2 275.440 3.486 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3c(F)cccc32)n1C ZINC000565242598 322069800 /nfs/dbraw/zinc/06/98/00/322069800.db2.gz PWBIZHZITOBOGG-INIZCTEOSA-N 2 2 273.355 3.035 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000565655106 322085778 /nfs/dbraw/zinc/08/57/78/322085778.db2.gz VJKMRBNBCFUNBA-QGZVFWFLSA-N 2 2 290.451 3.099 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000565655093 322085816 /nfs/dbraw/zinc/08/58/16/322085816.db2.gz VJKMRBNBCFUNBA-KRWDZBQOSA-N 2 2 290.451 3.099 20 0 CGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000565892384 322095942 /nfs/dbraw/zinc/09/59/42/322095942.db2.gz FNBGZQVFRMNJAX-CQSZACIVSA-N 2 2 276.424 3.000 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)n1C ZINC000566498878 322126890 /nfs/dbraw/zinc/12/68/90/322126890.db2.gz JBUVXINBDHWWII-LLVKDONJSA-N 2 2 281.812 3.221 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000569259888 322241486 /nfs/dbraw/zinc/24/14/86/322241486.db2.gz JXDFGGGWKOLTFS-UONOGXRCSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000569259888 322241488 /nfs/dbraw/zinc/24/14/88/322241488.db2.gz JXDFGGGWKOLTFS-UONOGXRCSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC1(C)C ZINC000569376495 322245889 /nfs/dbraw/zinc/24/58/89/322245889.db2.gz ZVGYDHWAROPGQJ-INIZCTEOSA-N 2 2 269.392 3.459 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000570407538 322272959 /nfs/dbraw/zinc/27/29/59/322272959.db2.gz FDMQEFYNBIDDID-UHFFFAOYSA-N 2 2 295.839 3.126 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000570407538 322272961 /nfs/dbraw/zinc/27/29/61/322272961.db2.gz FDMQEFYNBIDDID-UHFFFAOYSA-N 2 2 295.839 3.126 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000570640555 322278694 /nfs/dbraw/zinc/27/86/94/322278694.db2.gz ITFMDTMDBIJURJ-XMTFNYHQSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000571370078 322296950 /nfs/dbraw/zinc/29/69/50/322296950.db2.gz UGGURLPGKJBIJF-INIZCTEOSA-N 2 2 286.463 3.111 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)n1-c1ccccc1 ZINC000572060576 322318418 /nfs/dbraw/zinc/31/84/18/322318418.db2.gz PSCYNCDRYWGFQZ-BJWYYQGGSA-N 2 2 267.376 3.069 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000573391597 322386108 /nfs/dbraw/zinc/38/61/08/322386108.db2.gz QXIOWOLUMCWDEG-BZUAXINKSA-N 2 2 252.446 3.131 20 0 CGADLP COCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C)o1 ZINC000583931904 326800566 /nfs/dbraw/zinc/80/05/66/326800566.db2.gz KYWPDIONIUQVPY-MRXNPFEDSA-N 2 2 288.391 3.201 20 0 CGADLP COc1ccc([C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C(C)C)cc1 ZINC000582192255 328624121 /nfs/dbraw/zinc/62/41/21/328624121.db2.gz DFAGWTFNOXCVKV-KRWDZBQOSA-N 2 2 287.407 3.224 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000395177484 329278364 /nfs/dbraw/zinc/27/83/64/329278364.db2.gz CNPYWUYVFBIJOK-CVEARBPZSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000395177484 329278365 /nfs/dbraw/zinc/27/83/65/329278365.db2.gz CNPYWUYVFBIJOK-CVEARBPZSA-N 2 2 278.827 3.365 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423246162 533711020 /nfs/dbraw/zinc/71/10/20/533711020.db2.gz PNYXUYFSJKEUJK-CXAGYDPISA-N 2 2 270.376 3.046 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000576575734 335220599 /nfs/dbraw/zinc/22/05/99/335220599.db2.gz ZYBBQQBKWNFMBB-IAOVAPTHSA-N 2 2 298.434 3.302 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000577050762 335289915 /nfs/dbraw/zinc/28/99/15/335289915.db2.gz KTELUGNZNAUHCH-BBWFWOEESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000577050762 335289916 /nfs/dbraw/zinc/28/99/16/335289916.db2.gz KTELUGNZNAUHCH-BBWFWOEESA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000177204915 335368034 /nfs/dbraw/zinc/36/80/34/335368034.db2.gz IRHRHZAQNZWAIX-AWEZNQCLSA-N 2 2 271.408 3.435 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000577633434 335383586 /nfs/dbraw/zinc/38/35/86/335383586.db2.gz IKLUIBCGMJVYPS-GFCCVEGCSA-N 2 2 289.448 3.213 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000577633434 335383587 /nfs/dbraw/zinc/38/35/87/335383587.db2.gz IKLUIBCGMJVYPS-GFCCVEGCSA-N 2 2 289.448 3.213 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H](C)C2CCCCC2)n1C ZINC000577748421 335396788 /nfs/dbraw/zinc/39/67/88/335396788.db2.gz XZNAADFSEXOSOF-CHWSQXEVSA-N 2 2 263.429 3.423 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000382125556 336082201 /nfs/dbraw/zinc/08/22/01/336082201.db2.gz NOIKNOQORHANBR-RRFJBIMHSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000382125556 336082203 /nfs/dbraw/zinc/08/22/03/336082203.db2.gz NOIKNOQORHANBR-RRFJBIMHSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300429 533774242 /nfs/dbraw/zinc/77/42/42/533774242.db2.gz MHOHSMUKMNFABF-YOEHRIQHSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)C1 ZINC000359300429 533774251 /nfs/dbraw/zinc/77/42/51/533774251.db2.gz MHOHSMUKMNFABF-YOEHRIQHSA-N 2 2 269.392 3.346 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000437086999 533818744 /nfs/dbraw/zinc/81/87/44/533818744.db2.gz MSLWMHHSSHTUFO-MRXNPFEDSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1nc(-c2ccccc2)cs1 ZINC000423341166 533834631 /nfs/dbraw/zinc/83/46/31/533834631.db2.gz XQYNPFQYSFBRRQ-LBPRGKRZSA-N 2 2 287.432 3.342 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OC(F)(F)F ZINC000423333666 533836484 /nfs/dbraw/zinc/83/64/84/533836484.db2.gz SBEMDYARQQZTIH-JTQLQIEISA-N 2 2 288.313 3.117 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1C ZINC000365805482 533880936 /nfs/dbraw/zinc/88/09/36/533880936.db2.gz KUYVIAGICSKZKX-INIZCTEOSA-N 2 2 299.418 3.176 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000369684924 533930775 /nfs/dbraw/zinc/93/07/75/533930775.db2.gz YVSFFPYDTDIZRR-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000369684924 533930778 /nfs/dbraw/zinc/93/07/78/533930778.db2.gz YVSFFPYDTDIZRR-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[NH2+]1 ZINC000423380012 533967052 /nfs/dbraw/zinc/96/70/52/533967052.db2.gz MMIIHGZQWTUXMB-UNEWFSDZSA-N 2 2 270.376 3.099 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cnc2ccsc2c1 ZINC000427882981 533992026 /nfs/dbraw/zinc/99/20/26/533992026.db2.gz CNERXBFFNAJICI-WCQYABFASA-N 2 2 298.415 3.158 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000427855283 533992959 /nfs/dbraw/zinc/99/29/59/533992959.db2.gz SBDYAWYEJLAYJJ-WCQYABFASA-N 2 2 287.432 3.099 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000449079698 534229634 /nfs/dbraw/zinc/22/96/34/534229634.db2.gz ZXBNXQABRCARRG-IJEWVQPXSA-N 2 2 275.440 3.176 20 0 CGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[NH+]2CCCCCC2)n1 ZINC000339356074 519236395 /nfs/dbraw/zinc/23/63/95/519236395.db2.gz AJFQYQXHUVURFQ-CHWSQXEVSA-N 2 2 280.416 3.053 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc2c1 ZINC000423263336 534474327 /nfs/dbraw/zinc/47/43/27/534474327.db2.gz AYAQWDZYWRYEOP-GXTWGEPZSA-N 2 2 260.381 3.375 20 0 CGADLP c1csc(C2([NH2+]CCC[NH+]3CCCCC3)CCCC2)n1 ZINC000161885074 534517103 /nfs/dbraw/zinc/51/71/03/534517103.db2.gz VSKBAUARFYBLMY-UHFFFAOYSA-N 2 2 293.480 3.378 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](c1ccccc1)C1CC1)CCCC2 ZINC000367439336 534538718 /nfs/dbraw/zinc/53/87/18/534538718.db2.gz TUMCUQGGYATBNW-GOSISDBHSA-N 2 2 281.403 3.460 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000290015920 521581188 /nfs/dbraw/zinc/58/11/88/521581188.db2.gz BXZIZXXZVFIANB-INIZCTEOSA-N 2 2 296.842 3.101 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cncs1 ZINC000163873139 521646769 /nfs/dbraw/zinc/64/67/69/521646769.db2.gz XLSIHNKAWJILEF-CYBMUJFWSA-N 2 2 269.458 3.306 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000086116236 522605208 /nfs/dbraw/zinc/60/52/08/522605208.db2.gz MUQQVPIQCPBWLJ-AWEZNQCLSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc2c(c1)CCCC2 ZINC000054764714 525428951 /nfs/dbraw/zinc/42/89/51/525428951.db2.gz BIMFHWZIUJNVEG-LBPRGKRZSA-N 2 2 255.365 3.139 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccs1 ZINC000151501279 525541254 /nfs/dbraw/zinc/54/12/54/525541254.db2.gz AUHDSPFNNUCCOW-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000086725222 525619971 /nfs/dbraw/zinc/61/99/71/525619971.db2.gz GOUFETLNJLKNNG-WPRPVWTQSA-N 2 2 259.180 3.006 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000084863994 526335121 /nfs/dbraw/zinc/33/51/21/526335121.db2.gz BAXIRGZSDXMNDZ-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000084863994 526335128 /nfs/dbraw/zinc/33/51/28/526335128.db2.gz BAXIRGZSDXMNDZ-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083852 536465310 /nfs/dbraw/zinc/46/53/10/536465310.db2.gz FAQOYEBCMQCYMC-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083852 536465311 /nfs/dbraw/zinc/46/53/11/536465311.db2.gz FAQOYEBCMQCYMC-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083852 536465313 /nfs/dbraw/zinc/46/53/13/536465313.db2.gz FAQOYEBCMQCYMC-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083852 536465315 /nfs/dbraw/zinc/46/53/15/536465315.db2.gz FAQOYEBCMQCYMC-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449397843 527632502 /nfs/dbraw/zinc/63/25/02/527632502.db2.gz RXUHQGINVVVVJW-OFLPRAFFSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449397843 527632508 /nfs/dbraw/zinc/63/25/08/527632508.db2.gz RXUHQGINVVVVJW-OFLPRAFFSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccoc1 ZINC000423236284 527809592 /nfs/dbraw/zinc/80/95/92/527809592.db2.gz NYTUSXXNLHXORL-LSDHHAIUSA-N 2 2 250.386 3.099 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccoc1 ZINC000423326239 527810214 /nfs/dbraw/zinc/81/02/14/527810214.db2.gz QUJDYQVDONWETK-LSDHHAIUSA-N 2 2 250.386 3.084 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccoc1 ZINC000423273909 527810990 /nfs/dbraw/zinc/81/09/90/527810990.db2.gz LDQXMMCOWZKBRF-LSDHHAIUSA-N 2 2 252.402 3.330 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185977 527933922 /nfs/dbraw/zinc/93/39/22/527933922.db2.gz PBGKQRWDJLNLPI-TYNCELHUSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185977 527933926 /nfs/dbraw/zinc/93/39/26/527933926.db2.gz PBGKQRWDJLNLPI-TYNCELHUSA-N 2 2 266.816 3.331 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000359000696 528105024 /nfs/dbraw/zinc/10/50/24/528105024.db2.gz KMJJUEZCQVVXTI-HZPDHXFCSA-N 2 2 273.424 3.466 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000364379325 528107229 /nfs/dbraw/zinc/10/72/29/528107229.db2.gz XEIIBFRDYYQHOF-WBVHZDCISA-N 2 2 296.418 3.349 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000358147365 528118385 /nfs/dbraw/zinc/11/83/85/528118385.db2.gz XRECSMYBTJNVRD-UHFFFAOYSA-N 2 2 299.393 3.116 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000358147365 528118391 /nfs/dbraw/zinc/11/83/91/528118391.db2.gz XRECSMYBTJNVRD-UHFFFAOYSA-N 2 2 299.393 3.116 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358247623 528119377 /nfs/dbraw/zinc/11/93/77/528119377.db2.gz IEBXSLSIPHYFTN-HNNXBMFYSA-N 2 2 286.419 3.019 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358247623 528119383 /nfs/dbraw/zinc/11/93/83/528119383.db2.gz IEBXSLSIPHYFTN-HNNXBMFYSA-N 2 2 286.419 3.019 20 0 CGADLP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000365269547 528154365 /nfs/dbraw/zinc/15/43/65/528154365.db2.gz CZWJDQPEEKCAAO-IXDOHACOSA-N 2 2 293.455 3.097 20 0 CGADLP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000365269547 528154371 /nfs/dbraw/zinc/15/43/71/528154371.db2.gz CZWJDQPEEKCAAO-IXDOHACOSA-N 2 2 293.455 3.097 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365643775 528211739 /nfs/dbraw/zinc/21/17/39/528211739.db2.gz XGQFDJZZXNAVOW-OAHLLOKOSA-N 2 2 295.496 3.379 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365643775 528211747 /nfs/dbraw/zinc/21/17/47/528211747.db2.gz XGQFDJZZXNAVOW-OAHLLOKOSA-N 2 2 295.496 3.379 20 0 CGADLP CCCCCOc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423223269 528237502 /nfs/dbraw/zinc/23/75/02/528237502.db2.gz FRHIQUJJNGPIMA-CQSZACIVSA-N 2 2 264.413 3.126 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423235421 528332864 /nfs/dbraw/zinc/33/28/64/528332864.db2.gz AWAQOOVFHCLHSU-JTQLQIEISA-N 2 2 269.458 3.009 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423394039 528422458 /nfs/dbraw/zinc/42/24/58/528422458.db2.gz ZHTCKVTXDKBXOX-IAQYHMDHSA-N 2 2 250.386 3.017 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423370385 528422603 /nfs/dbraw/zinc/42/26/03/528422603.db2.gz DAFYZFPMSCHYKP-MNOVXSKESA-N 2 2 290.329 3.234 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423314248 528512131 /nfs/dbraw/zinc/51/21/31/528512131.db2.gz VSYZFROPOFSNRI-AWEZNQCLSA-N 2 2 254.805 3.380 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423314300 528512529 /nfs/dbraw/zinc/51/25/29/528512529.db2.gz VVGBYKYLLTVEON-ZDUSSCGKSA-N 2 2 290.407 3.400 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423315422 528516156 /nfs/dbraw/zinc/51/61/56/528516156.db2.gz XMAWKALWRSTCBZ-CHWSQXEVSA-N 2 2 291.464 3.378 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423247543 528570992 /nfs/dbraw/zinc/57/09/92/528570992.db2.gz QKBYHGWJRSNSCU-AEFFLSMTSA-N 2 2 283.419 3.458 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000357776213 528818846 /nfs/dbraw/zinc/81/88/46/528818846.db2.gz ABNYTHQYELTXKL-CYBMUJFWSA-N 2 2 295.496 3.403 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000357776213 528818850 /nfs/dbraw/zinc/81/88/50/528818850.db2.gz ABNYTHQYELTXKL-CYBMUJFWSA-N 2 2 295.496 3.403 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423303982 528821329 /nfs/dbraw/zinc/82/13/29/528821329.db2.gz XWAXGBKPXJUYDQ-GJZGRUSLSA-N 2 2 284.831 3.135 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2ccccc21 ZINC000423294067 528823019 /nfs/dbraw/zinc/82/30/19/528823019.db2.gz BDOQMRHYOVYZJY-ZFWWWQNUSA-N 2 2 262.397 3.007 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423303447 528823518 /nfs/dbraw/zinc/82/35/18/528823518.db2.gz XCNMTLGVGNWYTM-ZFWWWQNUSA-N 2 2 267.392 3.025 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000423304940 528955571 /nfs/dbraw/zinc/95/55/71/528955571.db2.gz ZSJIVSFMBNKIHB-CMPLNLGQSA-N 2 2 269.458 3.182 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCCC1 ZINC000437109401 529157128 /nfs/dbraw/zinc/15/71/28/529157128.db2.gz WYJVXGLBWGCSQO-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1F ZINC000423546531 529202331 /nfs/dbraw/zinc/20/23/31/529202331.db2.gz FLGSRMYRIVIIEX-IUODEOHRSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccc1OC ZINC000368103884 529204014 /nfs/dbraw/zinc/20/40/14/529204014.db2.gz ZBLQYOTZFSOYKS-UKRRQHHQSA-N 2 2 299.418 3.325 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccc1OC ZINC000368103884 529204017 /nfs/dbraw/zinc/20/40/17/529204017.db2.gz ZBLQYOTZFSOYKS-UKRRQHHQSA-N 2 2 299.418 3.325 20 0 CGADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459428922 535166307 /nfs/dbraw/zinc/16/63/07/535166307.db2.gz BWGHKOYXKDQTKV-QGZVFWFLSA-N 2 2 289.398 3.431 20 0 CGADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459428922 535166310 /nfs/dbraw/zinc/16/63/10/535166310.db2.gz BWGHKOYXKDQTKV-QGZVFWFLSA-N 2 2 289.398 3.431 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000482220455 535365531 /nfs/dbraw/zinc/36/55/31/535365531.db2.gz MYGFYSPKJXGVQX-ZWKOTPCHSA-N 2 2 296.499 3.459 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000480034339 535784207 /nfs/dbraw/zinc/78/42/07/535784207.db2.gz AXQQSMPOEAELIH-BBRMVZONSA-N 2 2 292.854 3.301 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)[C@@H](C)C1 ZINC000480034339 535784212 /nfs/dbraw/zinc/78/42/12/535784212.db2.gz AXQQSMPOEAELIH-BBRMVZONSA-N 2 2 292.854 3.301 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cccc(Cl)c2C1 ZINC000459697448 536371171 /nfs/dbraw/zinc/37/11/71/536371171.db2.gz YOIFUSAWMKNZIG-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cccc(Cl)c2C1 ZINC000459697448 536371174 /nfs/dbraw/zinc/37/11/74/536371174.db2.gz YOIFUSAWMKNZIG-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459697448 536371175 /nfs/dbraw/zinc/37/11/75/536371175.db2.gz YOIFUSAWMKNZIG-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459697448 536371178 /nfs/dbraw/zinc/37/11/78/536371178.db2.gz YOIFUSAWMKNZIG-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486325 536464457 /nfs/dbraw/zinc/46/44/57/536464457.db2.gz SNMIRMRRGKROBR-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486325 536464460 /nfs/dbraw/zinc/46/44/60/536464460.db2.gz SNMIRMRRGKROBR-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486325 536464463 /nfs/dbraw/zinc/46/44/63/536464463.db2.gz SNMIRMRRGKROBR-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486325 536464466 /nfs/dbraw/zinc/46/44/66/536464466.db2.gz SNMIRMRRGKROBR-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000729685628 571929666 /nfs/dbraw/zinc/92/96/66/571929666.db2.gz DJZNUSNLACNSBM-QKXCFHHRSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000729685628 571929668 /nfs/dbraw/zinc/92/96/68/571929668.db2.gz DJZNUSNLACNSBM-QKXCFHHRSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880646 572343732 /nfs/dbraw/zinc/34/37/32/572343732.db2.gz BEJFIPBUTNDQGX-XNJGSVPQSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880646 572343735 /nfs/dbraw/zinc/34/37/35/572343735.db2.gz BEJFIPBUTNDQGX-XNJGSVPQSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000746601205 572884271 /nfs/dbraw/zinc/88/42/71/572884271.db2.gz WQIAZYZCMZTAPT-CYBMUJFWSA-N 2 2 298.434 3.428 20 0 CGADLP CCc1cnc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000234254316 618096324 /nfs/dbraw/zinc/09/63/24/618096324.db2.gz SBBWJBIRPUSDOV-CHWSQXEVSA-N 2 2 281.469 3.106 20 0 CGADLP CCc1cnc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000234254248 618096752 /nfs/dbraw/zinc/09/67/52/618096752.db2.gz SBBWJBIRPUSDOV-OLZOCXBDSA-N 2 2 281.469 3.106 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000420413625 618165963 /nfs/dbraw/zinc/16/59/63/618165963.db2.gz ZQUCZLOVNWNQHS-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000420413625 618165970 /nfs/dbraw/zinc/16/59/70/618165970.db2.gz ZQUCZLOVNWNQHS-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Cc1csc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)n1 ZINC000893080653 618990981 /nfs/dbraw/zinc/99/09/81/618990981.db2.gz QRPQSHHVKBKERT-JALIKCBVSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1csc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)n1 ZINC000893080653 618990985 /nfs/dbraw/zinc/99/09/85/618990985.db2.gz QRPQSHHVKBKERT-JALIKCBVSA-N 2 2 291.464 3.117 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185315534 619059801 /nfs/dbraw/zinc/05/98/01/619059801.db2.gz FNYUVJBXXAQGPU-UHFFFAOYSA-N 2 2 299.802 3.070 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000925563622 619062206 /nfs/dbraw/zinc/06/22/06/619062206.db2.gz OSGDQPGXZOVBQO-IHRRRGAJSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000925563622 619062209 /nfs/dbraw/zinc/06/22/09/619062209.db2.gz OSGDQPGXZOVBQO-IHRRRGAJSA-N 2 2 272.383 3.171 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000925674990 619124451 /nfs/dbraw/zinc/12/44/51/619124451.db2.gz CDPYOSWRVAZNIS-SMDDNHRTSA-N 2 2 268.351 3.028 20 0 CGADLP CCCSC[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000893360999 619136258 /nfs/dbraw/zinc/13/62/58/619136258.db2.gz LXZXZGGKLYCKAA-CYBMUJFWSA-N 2 2 267.442 3.005 20 0 CGADLP CCCOc1cccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931352882 619151276 /nfs/dbraw/zinc/15/12/76/619151276.db2.gz TZSJCYYNBCIGMD-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1csc(Cl)c1 ZINC000925775213 619237629 /nfs/dbraw/zinc/23/76/29/619237629.db2.gz DRUVKEYZLHVSHU-WCBMZHEXSA-N 2 2 294.798 3.297 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094369971 619244836 /nfs/dbraw/zinc/24/48/36/619244836.db2.gz DXWKVEAVVOSIFU-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)[C@H](C)[NH3+] ZINC000261613722 619292695 /nfs/dbraw/zinc/29/26/95/619292695.db2.gz SXRTVYWHDLRWSQ-UONOGXRCSA-N 2 2 254.377 3.101 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000894037366 619360050 /nfs/dbraw/zinc/36/00/50/619360050.db2.gz JCROVFIHOSZFMD-GOSISDBHSA-N 2 2 289.467 3.196 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000894037366 619360054 /nfs/dbraw/zinc/36/00/54/619360054.db2.gz JCROVFIHOSZFMD-GOSISDBHSA-N 2 2 289.467 3.196 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000894176558 619406232 /nfs/dbraw/zinc/40/62/32/619406232.db2.gz UITQKUQYSGOXFQ-HNNXBMFYSA-N 2 2 298.434 3.074 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000894176558 619406234 /nfs/dbraw/zinc/40/62/34/619406234.db2.gz UITQKUQYSGOXFQ-HNNXBMFYSA-N 2 2 298.434 3.074 20 0 CGADLP CCSCc1cc[nH+]c(NCc2c(C)cc[nH+]c2N)c1 ZINC000894364846 619506260 /nfs/dbraw/zinc/50/62/60/619506260.db2.gz RVIQYPRYIDPVNE-UHFFFAOYSA-N 2 2 288.420 3.232 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403901 625355142 /nfs/dbraw/zinc/35/51/42/625355142.db2.gz QJJDIFUDIJETTR-VXGBXAGGSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403901 625355143 /nfs/dbraw/zinc/35/51/43/625355143.db2.gz QJJDIFUDIJETTR-VXGBXAGGSA-N 2 2 282.815 3.038 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000049093080 619691976 /nfs/dbraw/zinc/69/19/76/619691976.db2.gz MGGUQNBMRLGUHZ-KBPBESRZSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@@H](c1ccccn1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110324 619734046 /nfs/dbraw/zinc/73/40/46/619734046.db2.gz IKVYBRKSOOEBQC-JYJNAYRXSA-N 2 2 296.418 3.314 20 0 CGADLP C[C@H](CC[NH2+]Cc1cnc(C2CCCC2)s1)[NH+](C)C ZINC000895297000 619799539 /nfs/dbraw/zinc/79/95/39/619799539.db2.gz HYSGUBMSKQNOEN-GFCCVEGCSA-N 2 2 281.469 3.231 20 0 CGADLP CC(C)n1cncc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895380276 619817465 /nfs/dbraw/zinc/81/74/65/619817465.db2.gz NZLNACPDKWZXOK-NVXWUHKLSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1cncc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895380276 619817467 /nfs/dbraw/zinc/81/74/67/619817467.db2.gz NZLNACPDKWZXOK-NVXWUHKLSA-N 2 2 292.471 3.016 20 0 CGADLP CCC[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706370 619873386 /nfs/dbraw/zinc/87/33/86/619873386.db2.gz JGXQVIYFQUETQV-SJORKVTESA-N 2 2 287.407 3.029 20 0 CGADLP C(CC1CCCCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897227212 620165560 /nfs/dbraw/zinc/16/55/60/620165560.db2.gz CKLHVEJXWORWFY-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC1CCCCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897227212 620165563 /nfs/dbraw/zinc/16/55/63/620165563.db2.gz CKLHVEJXWORWFY-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985155 620462226 /nfs/dbraw/zinc/46/22/26/620462226.db2.gz KGBKMODZODGZBM-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000898031973 620469280 /nfs/dbraw/zinc/46/92/80/620469280.db2.gz RVPYMOHDVJUENH-JSGCOSHPSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000898031973 620469285 /nfs/dbraw/zinc/46/92/85/620469285.db2.gz RVPYMOHDVJUENH-JSGCOSHPSA-N 2 2 286.410 3.417 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000898034693 620470649 /nfs/dbraw/zinc/47/06/49/620470649.db2.gz VWCPSTMOQFUISD-UHFFFAOYSA-N 2 2 274.399 3.132 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000898034693 620470653 /nfs/dbraw/zinc/47/06/53/620470653.db2.gz VWCPSTMOQFUISD-UHFFFAOYSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2c(s1)CCCC2 ZINC000902465004 621337418 /nfs/dbraw/zinc/33/74/18/621337418.db2.gz FLQQFPPXAQTUKH-YXCITZCRSA-N 2 2 276.449 3.170 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902464966 621337900 /nfs/dbraw/zinc/33/79/00/621337900.db2.gz FCOXHBDRMNJUFI-VVLHAWIVSA-N 2 2 256.393 3.010 20 0 CGADLP c1csc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CCCC2)c1 ZINC000902471239 621341072 /nfs/dbraw/zinc/34/10/72/621341072.db2.gz KVIRUBCTUZMYRG-NHIYQJMISA-N 2 2 276.449 3.462 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2ccccc2s1 ZINC000902470218 621341106 /nfs/dbraw/zinc/34/11/06/621341106.db2.gz UUQUZAISUUYSPY-YXCITZCRSA-N 2 2 272.417 3.445 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482936 621352702 /nfs/dbraw/zinc/35/27/02/621352702.db2.gz NXGDOTYAZDHFDH-YOEHRIQHSA-N 2 2 273.424 3.055 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CCOCC1 ZINC000902758015 621427461 /nfs/dbraw/zinc/42/74/61/621427461.db2.gz BFUKKPJMLDMRSN-FUHWJXTLSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H]([NH2+]C1CCC(C)(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902832023 621466843 /nfs/dbraw/zinc/46/68/43/621466843.db2.gz IFUDCBRTZYDKBS-NXVRBGIVSA-N 2 2 299.418 3.217 20 0 CGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841774 621471008 /nfs/dbraw/zinc/47/10/08/621471008.db2.gz SADVRQFGPBOFNW-OAGGEKHMSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902988768 621514014 /nfs/dbraw/zinc/51/40/14/621514014.db2.gz WZJGCCBRNBSWAZ-YQQAZPJKSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063970 621551893 /nfs/dbraw/zinc/55/18/93/621551893.db2.gz KMXXELJVCMOOHP-CVEARBPZSA-N 2 2 299.418 3.340 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903049847 621556013 /nfs/dbraw/zinc/55/60/13/621556013.db2.gz IYCRJNFBGXJSDB-QRTARXTBSA-N 2 2 285.391 3.090 20 0 CGADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070112 621568305 /nfs/dbraw/zinc/56/83/05/621568305.db2.gz POQXGPGZIXAROL-XKQJLSEDSA-N 2 2 285.391 3.090 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199481 621623747 /nfs/dbraw/zinc/62/37/47/621623747.db2.gz ZIOXFIDQLLGGRY-KSSFIOAISA-N 2 2 299.418 3.013 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2CCC[C@H]21 ZINC000903268958 621655370 /nfs/dbraw/zinc/65/53/70/621655370.db2.gz OGRMGJANZBHQAJ-VNQPRFMTSA-N 2 2 271.408 3.244 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2CCC[C@H]21 ZINC000903268958 621655373 /nfs/dbraw/zinc/65/53/73/621655373.db2.gz OGRMGJANZBHQAJ-VNQPRFMTSA-N 2 2 271.408 3.244 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344591 621697897 /nfs/dbraw/zinc/69/78/97/621697897.db2.gz QTKIDERPCNFDMP-INIZCTEOSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344591 621697900 /nfs/dbraw/zinc/69/79/00/621697900.db2.gz QTKIDERPCNFDMP-INIZCTEOSA-N 2 2 289.467 3.114 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381142 621723112 /nfs/dbraw/zinc/72/31/12/621723112.db2.gz RSTYMENWXILDGP-ULQDDVLXSA-N 2 2 275.440 3.099 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2CF)C[C@H]1c1ccccc1 ZINC000903748090 621799970 /nfs/dbraw/zinc/79/99/70/621799970.db2.gz YPMQCTDRLYTYCD-ZWKOTPCHSA-N 2 2 284.378 3.083 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2CF)C[C@H]1c1ccccc1 ZINC000903748090 621799971 /nfs/dbraw/zinc/79/99/71/621799971.db2.gz YPMQCTDRLYTYCD-ZWKOTPCHSA-N 2 2 284.378 3.083 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903884159 621826776 /nfs/dbraw/zinc/82/67/76/621826776.db2.gz TVYVOSXYDGSECY-KBPBESRZSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903884159 621826777 /nfs/dbraw/zinc/82/67/77/621826777.db2.gz TVYVOSXYDGSECY-KBPBESRZSA-N 2 2 268.351 3.114 20 0 CGADLP CCc1ccc(C2CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000903934733 621835486 /nfs/dbraw/zinc/83/54/86/621835486.db2.gz JLUIDESKNHTQAE-INIZCTEOSA-N 2 2 296.405 3.411 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305059 621901897 /nfs/dbraw/zinc/90/18/97/621901897.db2.gz BZZQSWYFBYJISD-INIZCTEOSA-N 2 2 296.842 3.170 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305059 621901900 /nfs/dbraw/zinc/90/19/00/621901900.db2.gz BZZQSWYFBYJISD-INIZCTEOSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC000904458730 621923629 /nfs/dbraw/zinc/92/36/29/621923629.db2.gz GUVDELLRFGNEHJ-NXOUGTEYSA-N 2 2 284.378 3.144 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1csc2ccccc12 ZINC000904484914 621926241 /nfs/dbraw/zinc/92/62/41/621926241.db2.gz QKAGSRKOXTYTCD-RYUDHWBXSA-N 2 2 260.406 3.304 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000157354202 622899802 /nfs/dbraw/zinc/89/98/02/622899802.db2.gz XBODRMANKNDUPX-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1sccc1Br ZINC000087576022 623105616 /nfs/dbraw/zinc/10/56/16/623105616.db2.gz IZKNFZMEONDERG-UHFFFAOYSA-N 2 2 291.258 3.118 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000921531615 625650886 /nfs/dbraw/zinc/65/08/86/625650886.db2.gz NTKBFPMNCSUUON-HSFUPAIVSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000921531615 625650889 /nfs/dbraw/zinc/65/08/89/625650889.db2.gz NTKBFPMNCSUUON-HSFUPAIVSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151778225 623565524 /nfs/dbraw/zinc/56/55/24/623565524.db2.gz YJPLMJSUJZUNGZ-UHFFFAOYSA-N 2 2 289.467 3.357 20 0 CGADLP CC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152182736 623628160 /nfs/dbraw/zinc/62/81/60/623628160.db2.gz LFLRLNQGKDSTGO-AWEZNQCLSA-N 2 2 275.440 3.110 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000921557970 625684133 /nfs/dbraw/zinc/68/41/33/625684133.db2.gz PZVRKKTUTKPQQE-UHFFFAOYSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000922050745 625966825 /nfs/dbraw/zinc/96/68/25/625966825.db2.gz BMUIFFILGXDVIH-UHFFFAOYSA-N 2 2 295.858 3.255 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000922842737 626056052 /nfs/dbraw/zinc/05/60/52/626056052.db2.gz MCPASQSRXJNURX-HIFRSBDPSA-N 2 2 287.432 3.246 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286979 626142713 /nfs/dbraw/zinc/14/27/13/626142713.db2.gz BZHNYBYPZPRZKX-WCQYABFASA-N 2 2 295.496 3.308 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286979 626142715 /nfs/dbraw/zinc/14/27/15/626142715.db2.gz BZHNYBYPZPRZKX-WCQYABFASA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000923346495 626148652 /nfs/dbraw/zinc/14/86/52/626148652.db2.gz ZGCSZVNSYLZBJU-OLZOCXBDSA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000923346495 626148656 /nfs/dbraw/zinc/14/86/56/626148656.db2.gz ZGCSZVNSYLZBJU-OLZOCXBDSA-N 2 2 295.496 3.308 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000753636505 626460520 /nfs/dbraw/zinc/46/05/20/626460520.db2.gz YCUWSINWWXHOKU-GJZGRUSLSA-N 2 2 276.424 3.057 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000753636505 626460521 /nfs/dbraw/zinc/46/05/21/626460521.db2.gz YCUWSINWWXHOKU-GJZGRUSLSA-N 2 2 276.424 3.057 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1csc2ccccc12 ZINC000754737100 626585288 /nfs/dbraw/zinc/58/52/88/626585288.db2.gz WWGZDZBHXZOTGC-GFCCVEGCSA-N 2 2 271.389 3.449 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000760157621 626942258 /nfs/dbraw/zinc/94/22/58/626942258.db2.gz QPUMZSUNUBQREG-GFCCVEGCSA-N 2 2 278.787 3.063 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000764595119 627213734 /nfs/dbraw/zinc/21/37/34/627213734.db2.gz YQIZBGQXTAIJOG-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000764595119 627213735 /nfs/dbraw/zinc/21/37/35/627213735.db2.gz YQIZBGQXTAIJOG-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+](C)C ZINC000764842175 627229014 /nfs/dbraw/zinc/22/90/14/627229014.db2.gz XRIZXUMYFNVYQE-UONOGXRCSA-N 2 2 274.518 3.473 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000766275767 627311115 /nfs/dbraw/zinc/31/11/15/627311115.db2.gz ZMRVDWPVMZRJCH-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000766275767 627311119 /nfs/dbraw/zinc/31/11/19/627311119.db2.gz ZMRVDWPVMZRJCH-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471044 627557585 /nfs/dbraw/zinc/55/75/85/627557585.db2.gz QFZJANRICDABPK-BLLLJJGKSA-N 2 2 264.413 3.201 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471044 627557586 /nfs/dbraw/zinc/55/75/86/627557586.db2.gz QFZJANRICDABPK-BLLLJJGKSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471044 627557587 /nfs/dbraw/zinc/55/75/87/627557587.db2.gz QFZJANRICDABPK-BLLLJJGKSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471044 627557588 /nfs/dbraw/zinc/55/75/88/627557588.db2.gz QFZJANRICDABPK-BLLLJJGKSA-N 2 2 264.413 3.201 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000772949289 627833594 /nfs/dbraw/zinc/83/35/94/627833594.db2.gz UJPNNFZKUZPUOJ-LBPRGKRZSA-N 2 2 279.428 3.069 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CC3)CC2)cc1 ZINC000773035108 627845066 /nfs/dbraw/zinc/84/50/66/627845066.db2.gz ATAJNXCPTDEPKR-UHFFFAOYSA-N 2 2 287.451 3.111 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000775310144 628080561 /nfs/dbraw/zinc/08/05/61/628080561.db2.gz FVLBPCCFNRWECQ-JYJNAYRXSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000775310144 628080562 /nfs/dbraw/zinc/08/05/62/628080562.db2.gz FVLBPCCFNRWECQ-JYJNAYRXSA-N 2 2 250.430 3.053 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000777609943 628288665 /nfs/dbraw/zinc/28/86/65/628288665.db2.gz HUZYHBZUIKBFLO-QGZVFWFLSA-N 2 2 273.424 3.039 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000782530086 628651580 /nfs/dbraw/zinc/65/15/80/628651580.db2.gz AFXGGADWNPCMTO-JHJVBQTASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000782530086 628651584 /nfs/dbraw/zinc/65/15/84/628651584.db2.gz AFXGGADWNPCMTO-JHJVBQTASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000863566212 629606282 /nfs/dbraw/zinc/60/62/82/629606282.db2.gz FCVDYTSMESIPQV-MRXNPFEDSA-N 2 2 298.430 3.072 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000863566212 629606291 /nfs/dbraw/zinc/60/62/91/629606291.db2.gz FCVDYTSMESIPQV-MRXNPFEDSA-N 2 2 298.430 3.072 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000865532573 630172495 /nfs/dbraw/zinc/17/24/95/630172495.db2.gz HQJBEWHLYLJXPR-OAHLLOKOSA-N 2 2 299.418 3.165 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767523 630802190 /nfs/dbraw/zinc/80/21/90/630802190.db2.gz NIHHOPBWSYAEES-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767523 630802193 /nfs/dbraw/zinc/80/21/93/630802193.db2.gz NIHHOPBWSYAEES-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767523 630802194 /nfs/dbraw/zinc/80/21/94/630802194.db2.gz NIHHOPBWSYAEES-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767523 630802196 /nfs/dbraw/zinc/80/21/96/630802196.db2.gz NIHHOPBWSYAEES-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933394 632236622 /nfs/dbraw/zinc/23/66/22/632236622.db2.gz CJBSVGWGJUHNES-FZMZJTMJSA-N 2 2 299.821 3.275 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1Cl ZINC000817986501 632274919 /nfs/dbraw/zinc/27/49/19/632274919.db2.gz QQXQZZSFYSVXHM-VXGBXAGGSA-N 2 2 279.815 3.060 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000865815359 632899645 /nfs/dbraw/zinc/89/96/45/632899645.db2.gz VNZTYILSVLCKNK-ZIAGYGMSSA-N 2 2 276.424 3.294 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000865815359 632899648 /nfs/dbraw/zinc/89/96/48/632899648.db2.gz VNZTYILSVLCKNK-ZIAGYGMSSA-N 2 2 276.424 3.294 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000866256447 633047467 /nfs/dbraw/zinc/04/74/67/633047467.db2.gz KPDQVIUUHSPOHG-INIZCTEOSA-N 2 2 298.434 3.280 20 0 CGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866636484 633224796 /nfs/dbraw/zinc/22/47/96/633224796.db2.gz LCMHPVUSGPPOAU-IJEWVQPXSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(O)ccc1F ZINC000872018554 633938678 /nfs/dbraw/zinc/93/86/78/633938678.db2.gz OCCCFOSKAGEJGX-CYBMUJFWSA-N 2 2 280.387 3.058 20 0 CGADLP C1=C[C@@H](CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000872107810 634031624 /nfs/dbraw/zinc/03/16/24/634031624.db2.gz PASWEDAKGZNDJE-MRXNPFEDSA-N 2 2 285.435 3.386 20 0 CGADLP c1ccc2cc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)ccc2c1 ZINC000873230362 634292775 /nfs/dbraw/zinc/29/27/75/634292775.db2.gz QFQBEVPKIVSREO-ROUUACIJSA-N 2 2 266.388 3.214 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229933 634293532 /nfs/dbraw/zinc/29/35/32/634293532.db2.gz JAWQQHZRKJXRJO-HOTGVXAUSA-N 2 2 272.417 3.276 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000019905968 634368959 /nfs/dbraw/zinc/36/89/59/634368959.db2.gz IMVVZGVJYLLCCZ-PBHICJAKSA-N 2 2 260.425 3.458 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000877479449 635051963 /nfs/dbraw/zinc/05/19/63/635051963.db2.gz VSLXAMHLSRZDOF-CQSZACIVSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000877479449 635051964 /nfs/dbraw/zinc/05/19/64/635051964.db2.gz VSLXAMHLSRZDOF-CQSZACIVSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccncc1 ZINC000842846499 635495341 /nfs/dbraw/zinc/49/53/41/635495341.db2.gz NHKVBXJCJKIEDH-WBVHZDCISA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccncc1 ZINC000842846499 635495345 /nfs/dbraw/zinc/49/53/45/635495345.db2.gz NHKVBXJCJKIEDH-WBVHZDCISA-N 2 2 275.440 3.243 20 0 CGADLP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000878491199 635530653 /nfs/dbraw/zinc/53/06/53/635530653.db2.gz HLBCWKFBGGJZFX-IMBPEULASA-N 2 2 285.435 3.014 20 0 CGADLP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000878491199 635530656 /nfs/dbraw/zinc/53/06/56/635530656.db2.gz HLBCWKFBGGJZFX-IMBPEULASA-N 2 2 285.435 3.014 20 0 CGADLP C[N@H+](Cc1ccc(SC(F)F)cc1)CC(C)(C)[NH3+] ZINC000843059779 635555435 /nfs/dbraw/zinc/55/54/35/635555435.db2.gz NLMAMVNHUATMGW-UHFFFAOYSA-N 2 2 274.380 3.170 20 0 CGADLP C[N@@H+](Cc1ccc(SC(F)F)cc1)CC(C)(C)[NH3+] ZINC000843059779 635555438 /nfs/dbraw/zinc/55/54/38/635555438.db2.gz NLMAMVNHUATMGW-UHFFFAOYSA-N 2 2 274.380 3.170 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000843069202 635556744 /nfs/dbraw/zinc/55/67/44/635556744.db2.gz PBZHUUZTZHNAPS-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000843069202 635556751 /nfs/dbraw/zinc/55/67/51/635556751.db2.gz PBZHUUZTZHNAPS-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc2ccccc2nc1Cl ZINC000843355972 635652424 /nfs/dbraw/zinc/65/24/24/635652424.db2.gz ORMYECYMWYITAF-MRXNPFEDSA-N 2 2 291.826 3.351 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000880371647 635984487 /nfs/dbraw/zinc/98/44/87/635984487.db2.gz MPVJXHJKRQCBRG-KRWDZBQOSA-N 2 2 269.392 3.284 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000880371647 635984490 /nfs/dbraw/zinc/98/44/90/635984490.db2.gz MPVJXHJKRQCBRG-KRWDZBQOSA-N 2 2 269.392 3.284 20 0 CGADLP c1cn(C[C@H]([NH2+]CCC2CC2)c2ccccc2)c[nH+]1 ZINC000880571891 636023841 /nfs/dbraw/zinc/02/38/41/636023841.db2.gz VCCZWVULPXALDR-INIZCTEOSA-N 2 2 255.365 3.014 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000880570647 636023939 /nfs/dbraw/zinc/02/39/39/636023939.db2.gz XMXRZWXTJFAWTE-ROUUACIJSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846109448 636145208 /nfs/dbraw/zinc/14/52/08/636145208.db2.gz JKBLJVFLRSNPJO-NQBHXWOUSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846109448 636145211 /nfs/dbraw/zinc/14/52/11/636145211.db2.gz JKBLJVFLRSNPJO-NQBHXWOUSA-N 2 2 291.266 3.033 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000883238050 636607910 /nfs/dbraw/zinc/60/79/10/636607910.db2.gz QJARCBLUYPIASV-MRXNPFEDSA-N 2 2 299.462 3.277 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883265969 636637657 /nfs/dbraw/zinc/63/76/57/636637657.db2.gz OZFXTAGOBPTGBW-GUYCJALGSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883265969 636637666 /nfs/dbraw/zinc/63/76/66/636637666.db2.gz OZFXTAGOBPTGBW-GUYCJALGSA-N 2 2 288.435 3.145 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000848928098 636700981 /nfs/dbraw/zinc/70/09/81/636700981.db2.gz VYCJWMMQXXLWLF-IAGOWNOFSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000848928098 636700982 /nfs/dbraw/zinc/70/09/82/636700982.db2.gz VYCJWMMQXXLWLF-IAGOWNOFSA-N 2 2 294.389 3.114 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883386529 636728706 /nfs/dbraw/zinc/72/87/06/636728706.db2.gz HUDCFYXBQJWBDR-IRXDYDNUSA-N 2 2 269.392 3.403 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000885951451 637328091 /nfs/dbraw/zinc/32/80/91/637328091.db2.gz ITDMOVKBFQADLN-YESZJQIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000221982474 637771330 /nfs/dbraw/zinc/77/13/30/637771330.db2.gz LNCYSERISAGJBZ-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ncccc1Cl ZINC000924533033 638352869 /nfs/dbraw/zinc/35/28/69/638352869.db2.gz IBPUZPZIOSSWDZ-AWEZNQCLSA-N 2 2 292.814 3.453 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000924533723 638354041 /nfs/dbraw/zinc/35/40/41/638354041.db2.gz LLXBUOUJZMNZFD-AWEZNQCLSA-N 2 2 296.374 3.279 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncco1 ZINC000924582887 638368395 /nfs/dbraw/zinc/36/83/95/638368395.db2.gz OBOAWHIWKQOJMU-AWEZNQCLSA-N 2 2 285.391 3.121 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccns1 ZINC000924929382 638425826 /nfs/dbraw/zinc/42/58/26/638425826.db2.gz FTCRKNUUNNZUSZ-ZDUSSCGKSA-N 2 2 269.458 3.306 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000925051767 638444257 /nfs/dbraw/zinc/44/42/57/638444257.db2.gz MABAMPNXWFNEAT-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000925051767 638444259 /nfs/dbraw/zinc/44/42/59/638444259.db2.gz MABAMPNXWFNEAT-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)c1ccccc1 ZINC000925057317 638444940 /nfs/dbraw/zinc/44/49/40/638444940.db2.gz FRIXVQIVMFAKJH-LJIGWXMPSA-N 2 2 290.451 3.129 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000925196509 638473714 /nfs/dbraw/zinc/47/37/14/638473714.db2.gz NKEGXRXZJCUFCI-HNNXBMFYSA-N 2 2 293.455 3.250 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000925602051 638542688 /nfs/dbraw/zinc/54/26/88/638542688.db2.gz QYCOIRKLFCMAEF-WMLDXEAASA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925719472 638578657 /nfs/dbraw/zinc/57/86/57/638578657.db2.gz SQFZDKQITAOPJQ-FZMZJTMJSA-N 2 2 286.341 3.022 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925787887 638614806 /nfs/dbraw/zinc/61/48/06/638614806.db2.gz WJEYDJDXAZFUOP-HBUWYVDXSA-N 2 2 281.403 3.007 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000925973859 638668405 /nfs/dbraw/zinc/66/84/05/638668405.db2.gz URAZAICEPXXNLA-BDXSIMOUSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000925973859 638668409 /nfs/dbraw/zinc/66/84/09/638668409.db2.gz URAZAICEPXXNLA-BDXSIMOUSA-N 2 2 294.483 3.187 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000926145809 638720715 /nfs/dbraw/zinc/72/07/15/638720715.db2.gz TWHOIVUCWPEAFG-CABCVRRESA-N 2 2 291.439 3.005 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2[nH]1 ZINC000926450369 638772609 /nfs/dbraw/zinc/77/26/09/638772609.db2.gz LPNLVSVPBCSNBU-YPMHNXCESA-N 2 2 280.375 3.099 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931022823 639100388 /nfs/dbraw/zinc/10/03/88/639100388.db2.gz TUWKZFWHVKMZLI-GJZGRUSLSA-N 2 2 291.439 3.242 20 0 CGADLP Cc1[nH]c(C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c(C)[nH+]1 ZINC000931705888 639193228 /nfs/dbraw/zinc/19/32/28/639193228.db2.gz UONBXJBCAKYEFO-MRXNPFEDSA-N 2 2 296.418 3.011 20 0 CGADLP Cc1[nH]c(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c(C)[nH+]1 ZINC000931705888 639193230 /nfs/dbraw/zinc/19/32/30/639193230.db2.gz UONBXJBCAKYEFO-MRXNPFEDSA-N 2 2 296.418 3.011 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)c[nH+]1 ZINC000934391897 639601372 /nfs/dbraw/zinc/60/13/72/639601372.db2.gz XNWHETWOIWHPTA-QGZVFWFLSA-N 2 2 297.402 3.064 20 0 CGADLP CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907505 640213139 /nfs/dbraw/zinc/21/31/39/640213139.db2.gz ALJFDSDMLBAQRC-AWEZNQCLSA-N 2 2 287.407 3.074 20 0 CGADLP COc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1F ZINC000192669660 640396683 /nfs/dbraw/zinc/39/66/83/640396683.db2.gz XISJJYGMOXESLP-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415145716 640859688 /nfs/dbraw/zinc/85/96/88/640859688.db2.gz XHXBJFARVUDJRE-QGZVFWFLSA-N 2 2 270.376 3.069 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415145716 640859696 /nfs/dbraw/zinc/85/96/96/640859696.db2.gz XHXBJFARVUDJRE-QGZVFWFLSA-N 2 2 270.376 3.069 20 0 CGADLP Cc1cc(Cl)c(C)c(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC001165042464 721946146 /nfs/dbraw/zinc/94/61/46/721946146.db2.gz SJYHEIDCUKCGIT-UHFFFAOYSA-N 2 2 281.831 3.130 20 0 CGADLP Cc1cc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001157020869 805766996 /nfs/dbraw/zinc/76/69/96/805766996.db2.gz KFYMTCOTWFAMNI-CQSZACIVSA-N 2 2 290.455 3.001 20 0 CGADLP Cc1cc(N2CC[C@@H]([N@H+](C)C(C)C)C2)nc(C(C)(C)C)[nH+]1 ZINC001157020869 805766997 /nfs/dbraw/zinc/76/69/97/805766997.db2.gz KFYMTCOTWFAMNI-CQSZACIVSA-N 2 2 290.455 3.001 20 0 CGADLP Cc1c(F)cc[nH+]c1N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157891571 805899724 /nfs/dbraw/zinc/89/97/24/805899724.db2.gz GLDUEVCOLSAVPS-UHFFFAOYSA-N 2 2 279.403 3.134 20 0 CGADLP Clc1ccc2[nH+]ccc(NC=CC3CC[NH2+]CC3)c2c1 ZINC001159154079 806053008 /nfs/dbraw/zinc/05/30/08/806053008.db2.gz OFGQLNQHIRLMMX-WEVVVXLNSA-N 2 2 287.794 3.235 20 0 CGADLP Cc1cc(CC(C)C)[nH+]cc1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159371619 806088545 /nfs/dbraw/zinc/08/85/45/806088545.db2.gz JFUAGQXJTYTPGJ-KGLIPLIRSA-N 2 2 271.408 3.409 20 0 CGADLP Cc1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)[nH+]c1 ZINC001159948117 806203548 /nfs/dbraw/zinc/20/35/48/806203548.db2.gz DVINWLRQKLCIPX-INIZCTEOSA-N 2 2 283.375 3.264 20 0 CGADLP CNc1ccc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)c[nH+]1 ZINC001160286556 806250654 /nfs/dbraw/zinc/25/06/54/806250654.db2.gz LYXHTZJVVWWADL-UHFFFAOYSA-N 2 2 282.391 3.248 20 0 CGADLP c1cn(C2CC[NH+](C3CCc4ccccc4CC3)CC2)c[nH+]1 ZINC001254462370 806410960 /nfs/dbraw/zinc/41/09/60/806410960.db2.gz ZQGHDUBCILHBHF-UHFFFAOYSA-N 2 2 295.430 3.468 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501982 806423540 /nfs/dbraw/zinc/42/35/40/806423540.db2.gz ASVINQGDQDUGKZ-IEBWSBKVSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501982 806423544 /nfs/dbraw/zinc/42/35/44/806423544.db2.gz ASVINQGDQDUGKZ-IEBWSBKVSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH+](C)CC1 ZINC001254520636 806438080 /nfs/dbraw/zinc/43/80/80/806438080.db2.gz OVYXFMFXGXVFAG-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH+](C)CC1 ZINC001254520636 806438081 /nfs/dbraw/zinc/43/80/81/806438081.db2.gz OVYXFMFXGXVFAG-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)[C@H]1CCC[N@H+](C)CC1 ZINC001254520636 806438083 /nfs/dbraw/zinc/43/80/83/806438083.db2.gz OVYXFMFXGXVFAG-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254520636 806438085 /nfs/dbraw/zinc/43/80/85/806438085.db2.gz OVYXFMFXGXVFAG-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP c1ccc2cc(CC[NH2+][C@@H]3CC4CC[NH+](CC4)C3)ccc2c1 ZINC001254840667 806494157 /nfs/dbraw/zinc/49/41/57/806494157.db2.gz LQMDZBRVKMUUJO-HXUWFJFHSA-N 2 2 294.442 3.456 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254843699 806495625 /nfs/dbraw/zinc/49/56/25/806495625.db2.gz GJVYXSFCTXCEGR-WMZOPIPTSA-N 2 2 288.410 3.277 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851044 806498538 /nfs/dbraw/zinc/49/85/38/806498538.db2.gz KVIPRVMFSHUAAG-IKGGRYGDSA-N 2 2 290.838 3.270 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001162390523 806573744 /nfs/dbraw/zinc/57/37/44/806573744.db2.gz GTIIOYZNSBUPGK-ZJUUUORDSA-N 2 2 273.302 3.091 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[NH2+]C[C@@H]3C)cc[nH+]c12 ZINC001162467378 806590885 /nfs/dbraw/zinc/59/08/85/806590885.db2.gz QCUBEWTWODAFJX-UONOGXRCSA-N 2 2 299.418 3.291 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc(OC(F)F)[nH+]1 ZINC001162472449 806594146 /nfs/dbraw/zinc/59/41/46/806594146.db2.gz XPXCLLYROGIHHK-PWSUYJOCSA-N 2 2 299.365 3.039 20 0 CGADLP CC(C)COc1cc(NC[C@@]2(F)CCCC[NH2+]C2)cc[nH+]1 ZINC001162586210 806624541 /nfs/dbraw/zinc/62/45/41/806624541.db2.gz CXNZXSIECCMTBX-MRXNPFEDSA-N 2 2 295.402 3.010 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395513 806632021 /nfs/dbraw/zinc/63/20/21/806632021.db2.gz BXJVJLGGNSHLGO-RDJZCZTQSA-N 2 2 299.418 3.380 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395513 806632022 /nfs/dbraw/zinc/63/20/22/806632022.db2.gz BXJVJLGGNSHLGO-RDJZCZTQSA-N 2 2 299.418 3.380 20 0 CGADLP FC1(F)C[NH2+]CC[C@H]1CCNc1cccc(C2CC2)[nH+]1 ZINC001162813776 806668332 /nfs/dbraw/zinc/66/83/32/806668332.db2.gz BWWXYIOEHFOZBA-LBPRGKRZSA-N 2 2 281.350 3.006 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H](C)C1CC[NH+](C)CC1 ZINC000036934692 798852673 /nfs/dbraw/zinc/85/26/73/798852673.db2.gz JKQHITQRLBVWLU-CQSZACIVSA-N 2 2 275.440 3.203 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1F ZINC000037156104 798859993 /nfs/dbraw/zinc/85/99/93/798859993.db2.gz TUEXKOVRTNFDAZ-OAHLLOKOSA-N 2 2 293.361 3.366 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213913 798861497 /nfs/dbraw/zinc/86/14/97/798861497.db2.gz QAHRTTAKFMCWRG-SJORKVTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213913 798861504 /nfs/dbraw/zinc/86/15/04/798861504.db2.gz QAHRTTAKFMCWRG-SJORKVTESA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)Oc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc[nH+]1 ZINC001163211692 806723495 /nfs/dbraw/zinc/72/34/95/806723495.db2.gz LVYNINYGMDVWDS-AEFFLSMTSA-N 2 2 297.402 3.384 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001255727177 806721573 /nfs/dbraw/zinc/72/15/73/806721573.db2.gz XZWGQOIZQJTHII-ZDUSSCGKSA-N 2 2 293.411 3.183 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000316853295 799243637 /nfs/dbraw/zinc/24/36/37/799243637.db2.gz SESPBNZPVFLPIC-HZPDHXFCSA-N 2 2 298.434 3.360 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000389351495 799461943 /nfs/dbraw/zinc/46/19/43/799461943.db2.gz LFKXXDAPPFWFIL-NVXWUHKLSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000389351495 799461946 /nfs/dbraw/zinc/46/19/46/799461946.db2.gz LFKXXDAPPFWFIL-NVXWUHKLSA-N 2 2 290.451 3.089 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000394061354 799493577 /nfs/dbraw/zinc/49/35/77/799493577.db2.gz YNOMCQBLPUTIQO-BHYGNILZSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1NCCC2 ZINC000394369668 799496474 /nfs/dbraw/zinc/49/64/74/799496474.db2.gz WCFKVESJOYFGIY-MSOLQXFVSA-N 2 2 299.462 3.103 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1NCCC2 ZINC000394369668 799496480 /nfs/dbraw/zinc/49/64/80/799496480.db2.gz WCFKVESJOYFGIY-MSOLQXFVSA-N 2 2 299.462 3.103 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1NCCC2 ZINC000394369668 799496483 /nfs/dbraw/zinc/49/64/83/799496483.db2.gz WCFKVESJOYFGIY-MSOLQXFVSA-N 2 2 299.462 3.103 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1NCCC2 ZINC000394369668 799496489 /nfs/dbraw/zinc/49/64/89/799496489.db2.gz WCFKVESJOYFGIY-MSOLQXFVSA-N 2 2 299.462 3.103 20 0 CGADLP CSc1cc[nH+]c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1 ZINC001163370941 806752356 /nfs/dbraw/zinc/75/23/56/806752356.db2.gz NACKSVAYLQKVPE-OCCSQVGLSA-N 2 2 279.453 3.334 20 0 CGADLP CSc1cc[nH+]c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1 ZINC001163370941 806752362 /nfs/dbraw/zinc/75/23/62/806752362.db2.gz NACKSVAYLQKVPE-OCCSQVGLSA-N 2 2 279.453 3.334 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000689579991 799766432 /nfs/dbraw/zinc/76/64/32/799766432.db2.gz FQSUEYQRMUDJJT-HIFRSBDPSA-N 2 2 287.432 3.246 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000701961001 799901034 /nfs/dbraw/zinc/90/10/34/799901034.db2.gz ONVRMLXPMYIHKX-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000701961001 799901037 /nfs/dbraw/zinc/90/10/37/799901037.db2.gz ONVRMLXPMYIHKX-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001255941238 806790039 /nfs/dbraw/zinc/79/00/39/806790039.db2.gz LWVUCKGJZQBSLW-JTQLQIEISA-N 2 2 275.849 3.007 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001255939795 806790512 /nfs/dbraw/zinc/79/05/12/806790512.db2.gz JVLAGKITOQRKJS-GFCCVEGCSA-N 2 2 270.367 3.175 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2ccccc2OC)CC1 ZINC001255954408 806796843 /nfs/dbraw/zinc/79/68/43/806796843.db2.gz WEROZMNVOOKJQW-OAHLLOKOSA-N 2 2 290.451 3.394 20 0 CGADLP CC[C@H]1CCC[C@@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000710280538 800032192 /nfs/dbraw/zinc/03/21/92/800032192.db2.gz WJDTXBHRQMJRRL-QWHCGFSZSA-N 2 2 293.480 3.176 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001255969214 806801580 /nfs/dbraw/zinc/80/15/80/806801580.db2.gz VNOFAGSKCAZFNA-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001255969214 806801584 /nfs/dbraw/zinc/80/15/84/806801584.db2.gz VNOFAGSKCAZFNA-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)c1cc(NCC[C@@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001163701701 806801511 /nfs/dbraw/zinc/80/15/11/806801511.db2.gz UNOZGIBJCSFHGE-CYBMUJFWSA-N 2 2 278.444 3.476 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccccc2Br)CC1 ZINC000714753829 800128041 /nfs/dbraw/zinc/12/80/41/800128041.db2.gz IFZCXHNMSUYXKN-UHFFFAOYSA-N 2 2 297.240 3.152 20 0 CGADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCCCCC3)C2)cc1 ZINC000716266245 800166060 /nfs/dbraw/zinc/16/60/60/800166060.db2.gz AEZBMXBIGOJDMX-UHFFFAOYSA-N 2 2 272.436 3.431 20 0 CGADLP COc1ccccc1[C@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081005 806815933 /nfs/dbraw/zinc/81/59/33/806815933.db2.gz KXCUAOPWINQKQI-AWEZNQCLSA-N 2 2 288.435 3.315 20 0 CGADLP COc1ccccc1[C@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081005 806815936 /nfs/dbraw/zinc/81/59/36/806815936.db2.gz KXCUAOPWINQKQI-AWEZNQCLSA-N 2 2 288.435 3.315 20 0 CGADLP C/C(=C\C=C\[NH3+])n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163761493 806819402 /nfs/dbraw/zinc/81/94/02/806819402.db2.gz PQLUAPLTCAOBGA-JNKBEKGTSA-N 2 2 255.365 3.050 20 0 CGADLP Cc1c(C)n(-c2ccn3cc[nH+]c3c2)c2ccc(C[NH3+])cc12 ZINC001163761019 806819427 /nfs/dbraw/zinc/81/94/27/806819427.db2.gz DEFUBNKFECLUKG-UHFFFAOYSA-N 2 2 290.370 3.354 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000721628422 800298235 /nfs/dbraw/zinc/29/82/35/800298235.db2.gz ASOYPKZLAYNCSC-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP COc1cccc(C[C@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)c1 ZINC001256168962 806843155 /nfs/dbraw/zinc/84/31/55/806843155.db2.gz XBMJFJNKBFVFND-HOCLYGCPSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1[nH+]ccn1CCNc1[nH+]cc(C)c2ccccc21 ZINC001163920051 806851200 /nfs/dbraw/zinc/85/12/00/806851200.db2.gz PQNXCVAZRGTIQV-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP Cc1cc(F)cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC001120901369 802792565 /nfs/dbraw/zinc/79/25/65/802792565.db2.gz MRQWHENILNDVFY-UHFFFAOYSA-N 2 2 277.387 3.348 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(F)cc1Cl ZINC001206812167 813443982 /nfs/dbraw/zinc/44/39/82/813443982.db2.gz XIYLUTZFPDJBOA-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(F)cc1Cl ZINC001206812167 813443987 /nfs/dbraw/zinc/44/39/87/813443987.db2.gz XIYLUTZFPDJBOA-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1F ZINC001244857087 803551020 /nfs/dbraw/zinc/55/10/20/803551020.db2.gz JWTIATPLEDVYLE-UHFFFAOYSA-N 2 2 299.271 3.208 20 0 CGADLP CNc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC001244974127 803599542 /nfs/dbraw/zinc/59/95/42/803599542.db2.gz YCWNQXXLSPFKIY-HNNXBMFYSA-N 2 2 253.349 3.215 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c[nH]c2c1 ZINC001136976180 803666107 /nfs/dbraw/zinc/66/61/07/803666107.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c[nH]c2c1 ZINC001136976180 803666109 /nfs/dbraw/zinc/66/61/09/803666109.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c2c1 ZINC001136976180 803666111 /nfs/dbraw/zinc/66/61/11/803666111.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c2c1 ZINC001136976180 803666112 /nfs/dbraw/zinc/66/61/12/803666112.db2.gz ZLYNQCODODYIQC-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP c1cc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cnc2[nH]1 ZINC001138736070 804026024 /nfs/dbraw/zinc/02/60/24/804026024.db2.gz FJSGESYPDQLWKP-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246074513 804113935 /nfs/dbraw/zinc/11/39/35/804113935.db2.gz DXHBOPSCYBYHEV-KXBFYZLASA-N 2 2 298.430 3.306 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246084464 804118640 /nfs/dbraw/zinc/11/86/40/804118640.db2.gz FJUYJZCMKNCMSF-VQHPVUNQSA-N 2 2 276.399 3.002 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246093021 804125738 /nfs/dbraw/zinc/12/57/38/804125738.db2.gz UKKSHQZYFFIPDP-ZNMIVQPWSA-N 2 2 258.425 3.415 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114092 804144687 /nfs/dbraw/zinc/14/46/87/804144687.db2.gz UKKSHQZYFFIPDP-KFWWJZLASA-N 2 2 258.425 3.415 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246135811 804160661 /nfs/dbraw/zinc/16/06/61/804160661.db2.gz VQTYBHMJEGVOLL-BXUZGUMPSA-N 2 2 296.867 3.162 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC001246167075 804182703 /nfs/dbraw/zinc/18/27/03/804182703.db2.gz BSUZFGHCBLRHAV-KBXCAEBGSA-N 2 2 272.436 3.358 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246169370 804184084 /nfs/dbraw/zinc/18/40/84/804184084.db2.gz IJEMRSAAGHHJOB-CQSZACIVSA-N 2 2 280.481 3.286 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)C[NH2+]1 ZINC001246240545 804232322 /nfs/dbraw/zinc/23/23/22/804232322.db2.gz QHDRWXPMUIABBD-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246257935 804240452 /nfs/dbraw/zinc/24/04/52/804240452.db2.gz ZGTJGUQAVIJQFE-ONERCXAPSA-N 2 2 264.800 3.131 20 0 CGADLP CCCCCC1CCC([NH2+][C@@H](C)[C@@H]2C[NH2+]CCO2)CC1 ZINC001246295969 804265011 /nfs/dbraw/zinc/26/50/11/804265011.db2.gz QGWSSNVICIJVMN-OTBWCIGPSA-N 2 2 282.472 3.092 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246320156 804279307 /nfs/dbraw/zinc/27/93/07/804279307.db2.gz XWTUDEAEPUHAAJ-TUKIKUTGSA-N 2 2 250.361 3.007 20 0 CGADLP CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246349946 804299936 /nfs/dbraw/zinc/29/99/36/804299936.db2.gz WZARAXYHFNYCLG-OAHLLOKOSA-N 2 2 276.424 3.096 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246357107 804300832 /nfs/dbraw/zinc/30/08/32/804300832.db2.gz JALNPBTZRNOZRN-CJNGLKHVSA-N 2 2 294.414 3.091 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001246364024 804305932 /nfs/dbraw/zinc/30/59/32/804305932.db2.gz RVGAWHSUAOTHSM-GDLCADMTSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC[NH2+]1 ZINC001246370291 804307335 /nfs/dbraw/zinc/30/73/35/804307335.db2.gz GFTHCPRPPRKOOL-SNPRPXQTSA-N 2 2 294.826 3.140 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2F)CC[NH2+]1 ZINC001246377578 804311357 /nfs/dbraw/zinc/31/13/57/804311357.db2.gz HDDFIDFHQUFRIV-LALPHHSUSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2COc3cc(Cl)ccc32)CC[NH2+]1 ZINC001246418954 804328269 /nfs/dbraw/zinc/32/82/69/804328269.db2.gz TXTQZADWLMNEMC-SNPRPXQTSA-N 2 2 294.826 3.140 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(F)c1Cl ZINC001246491806 804358631 /nfs/dbraw/zinc/35/86/31/804358631.db2.gz TXIWBQVUBQWZGR-MXWKQRLJSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537114 804385207 /nfs/dbraw/zinc/38/52/07/804385207.db2.gz BGXDENDFHVBKES-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537114 804385211 /nfs/dbraw/zinc/38/52/11/804385211.db2.gz BGXDENDFHVBKES-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246537092 804385840 /nfs/dbraw/zinc/38/58/40/804385840.db2.gz JLRSUPPNNBLATN-VQHPVUNQSA-N 2 2 292.467 3.131 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246537092 804385849 /nfs/dbraw/zinc/38/58/49/804385849.db2.gz JLRSUPPNNBLATN-VQHPVUNQSA-N 2 2 292.467 3.131 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560176 804407636 /nfs/dbraw/zinc/40/76/36/804407636.db2.gz UUCYPBNIPMRGFM-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560176 804407641 /nfs/dbraw/zinc/40/76/41/804407641.db2.gz UUCYPBNIPMRGFM-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246560570 804409358 /nfs/dbraw/zinc/40/93/58/804409358.db2.gz VPWVPYJEMODJOO-NFAWXSAZSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246560570 804409363 /nfs/dbraw/zinc/40/93/63/804409363.db2.gz VPWVPYJEMODJOO-NFAWXSAZSA-N 2 2 296.455 3.366 20 0 CGADLP Cc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246573491 804420672 /nfs/dbraw/zinc/42/06/72/804420672.db2.gz CYTPJTFFBZLLMJ-DOTOQJQBSA-N 2 2 278.415 3.079 20 0 CGADLP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246573491 804420675 /nfs/dbraw/zinc/42/06/75/804420675.db2.gz CYTPJTFFBZLLMJ-DOTOQJQBSA-N 2 2 278.415 3.079 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588578 804430949 /nfs/dbraw/zinc/43/09/49/804430949.db2.gz WPBORUUWMUGNNP-ZNMIVQPWSA-N 2 2 258.425 3.497 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588578 804430951 /nfs/dbraw/zinc/43/09/51/804430951.db2.gz WPBORUUWMUGNNP-ZNMIVQPWSA-N 2 2 258.425 3.497 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001246609445 804442698 /nfs/dbraw/zinc/44/26/98/804442698.db2.gz YOFSYPVLMARAIH-OAHLLOKOSA-N 2 2 290.476 3.161 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246611391 804445456 /nfs/dbraw/zinc/44/54/56/804445456.db2.gz PKSUSSNLAQJGSP-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001246611391 804445459 /nfs/dbraw/zinc/44/54/59/804445459.db2.gz PKSUSSNLAQJGSP-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246620295 804453657 /nfs/dbraw/zinc/45/36/57/804453657.db2.gz RITISQOZXZLLQL-KZYWPTACSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246620295 804453663 /nfs/dbraw/zinc/45/36/63/804453663.db2.gz RITISQOZXZLLQL-KZYWPTACSA-N 2 2 284.447 3.382 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645948 804473371 /nfs/dbraw/zinc/47/33/71/804473371.db2.gz FHCWDPKUSVNCJG-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645948 804473375 /nfs/dbraw/zinc/47/33/75/804473375.db2.gz FHCWDPKUSVNCJG-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H](C)C1 ZINC001246661000 804484396 /nfs/dbraw/zinc/48/43/96/804484396.db2.gz FCIPFYIENWLEEB-KODHJQJWSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H](C)C1 ZINC001246661000 804484398 /nfs/dbraw/zinc/48/43/98/804484398.db2.gz FCIPFYIENWLEEB-KODHJQJWSA-N 2 2 284.447 3.382 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCC(c3ccccc3)CC1)C2 ZINC001246662081 804485609 /nfs/dbraw/zinc/48/56/09/804485609.db2.gz VQXNHVKSOCVKFI-JYSRZZCRSA-N 2 2 270.420 3.136 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCC(c3ccccc3)CC1)C2 ZINC001246662081 804485611 /nfs/dbraw/zinc/48/56/11/804485611.db2.gz VQXNHVKSOCVKFI-JYSRZZCRSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777928 804506169 /nfs/dbraw/zinc/50/61/69/804506169.db2.gz LHOYGYNSJQENAR-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777928 804506172 /nfs/dbraw/zinc/50/61/72/804506172.db2.gz LHOYGYNSJQENAR-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779391 804506951 /nfs/dbraw/zinc/50/69/51/804506951.db2.gz SNKHBDBSVNBFQX-YOEHRIQHSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779391 804506954 /nfs/dbraw/zinc/50/69/54/804506954.db2.gz SNKHBDBSVNBFQX-YOEHRIQHSA-N 2 2 268.404 3.412 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140780728 804511607 /nfs/dbraw/zinc/51/16/07/804511607.db2.gz IXJJEMBDDIASMO-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140780728 804511610 /nfs/dbraw/zinc/51/16/10/804511610.db2.gz IXJJEMBDDIASMO-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3cccs3)CC2)C[NH2+]1 ZINC001246786934 804512167 /nfs/dbraw/zinc/51/21/67/804512167.db2.gz BFXRMPMNPHOMFJ-GXTWGEPZSA-N 2 2 264.438 3.068 20 0 CGADLP COc1cccc2c1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805624 804524393 /nfs/dbraw/zinc/52/43/93/804524393.db2.gz KXTIFJSEUYGQEU-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP COc1cccc2c1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805624 804524397 /nfs/dbraw/zinc/52/43/97/804524397.db2.gz KXTIFJSEUYGQEU-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817327 804534037 /nfs/dbraw/zinc/53/40/37/804534037.db2.gz RLCRCXNSMKQIKP-IAGOWNOFSA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817327 804534040 /nfs/dbraw/zinc/53/40/40/804534040.db2.gz RLCRCXNSMKQIKP-IAGOWNOFSA-N 2 2 276.399 3.452 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246822597 804535690 /nfs/dbraw/zinc/53/56/90/804535690.db2.gz MBFQVEZTEATNOZ-KYJSFNMBSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246822597 804535693 /nfs/dbraw/zinc/53/56/93/804535693.db2.gz MBFQVEZTEATNOZ-KYJSFNMBSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827184 804539686 /nfs/dbraw/zinc/53/96/86/804539686.db2.gz IKBQVRGEKYOHSA-UTUOFQBUSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827184 804539693 /nfs/dbraw/zinc/53/96/93/804539693.db2.gz IKBQVRGEKYOHSA-UTUOFQBUSA-N 2 2 266.351 3.023 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246847553 804556283 /nfs/dbraw/zinc/55/62/83/804556283.db2.gz UECGFLZZWAQRKO-IKGGRYGDSA-N 2 2 282.472 3.392 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1CCC[NH2+]CC1 ZINC001246847553 804556285 /nfs/dbraw/zinc/55/62/85/804556285.db2.gz UECGFLZZWAQRKO-IKGGRYGDSA-N 2 2 282.472 3.392 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846691 804556343 /nfs/dbraw/zinc/55/63/43/804556343.db2.gz POCITOPDQOXZRX-YJBOKZPZSA-N 2 2 287.451 3.357 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846691 804556348 /nfs/dbraw/zinc/55/63/48/804556348.db2.gz POCITOPDQOXZRX-YJBOKZPZSA-N 2 2 287.451 3.357 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947117 804613803 /nfs/dbraw/zinc/61/38/03/804613803.db2.gz VLUZNEXNZBDNAU-IAGOWNOFSA-N 2 2 278.415 3.017 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947117 804613809 /nfs/dbraw/zinc/61/38/09/804613809.db2.gz VLUZNEXNZBDNAU-IAGOWNOFSA-N 2 2 278.415 3.017 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246947981 804614643 /nfs/dbraw/zinc/61/46/43/804614643.db2.gz ONAHVPRCFBETRX-DETPVDSQSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246947981 804614646 /nfs/dbraw/zinc/61/46/46/804614646.db2.gz ONAHVPRCFBETRX-DETPVDSQSA-N 2 2 280.362 3.242 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC(F)(F)C1 ZINC001141243087 804622890 /nfs/dbraw/zinc/62/28/90/804622890.db2.gz VEILSIRYWXJEPH-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC(F)(F)C1 ZINC001141243087 804622893 /nfs/dbraw/zinc/62/28/93/804622893.db2.gz VEILSIRYWXJEPH-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141242997 804623162 /nfs/dbraw/zinc/62/31/62/804623162.db2.gz RMQJLNHIQWOOJO-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141242997 804623166 /nfs/dbraw/zinc/62/31/66/804623166.db2.gz RMQJLNHIQWOOJO-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246981800 804627490 /nfs/dbraw/zinc/62/74/90/804627490.db2.gz RUXRPVIHJSOAOL-QWRGUYRKSA-N 2 2 272.845 3.100 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246981800 804627496 /nfs/dbraw/zinc/62/74/96/804627496.db2.gz RUXRPVIHJSOAOL-QWRGUYRKSA-N 2 2 272.845 3.100 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256832065 806990362 /nfs/dbraw/zinc/99/03/62/806990362.db2.gz WCTKJPQCDVCZMN-QZTJIDSGSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256832065 806990366 /nfs/dbraw/zinc/99/03/66/806990366.db2.gz WCTKJPQCDVCZMN-QZTJIDSGSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001165290671 806989411 /nfs/dbraw/zinc/98/94/11/806989411.db2.gz WMTLUBFXSXYQOE-MRXNPFEDSA-N 2 2 298.434 3.075 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001165290671 806989417 /nfs/dbraw/zinc/98/94/17/806989417.db2.gz WMTLUBFXSXYQOE-MRXNPFEDSA-N 2 2 298.434 3.075 20 0 CGADLP FC(F)c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001143256265 804829421 /nfs/dbraw/zinc/82/94/21/804829421.db2.gz HHUCCNSWMYVWSH-UHFFFAOYSA-N 2 2 280.362 3.294 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)cccc2n1 ZINC001248573897 804955604 /nfs/dbraw/zinc/95/56/04/804955604.db2.gz PGCYDYAHDGORKW-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)cccc2n1 ZINC001248573897 804955608 /nfs/dbraw/zinc/95/56/08/804955608.db2.gz PGCYDYAHDGORKW-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)cccc2n1 ZINC001248573897 804955612 /nfs/dbraw/zinc/95/56/12/804955612.db2.gz PGCYDYAHDGORKW-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)cccc2n1 ZINC001248573897 804955615 /nfs/dbraw/zinc/95/56/15/804955615.db2.gz PGCYDYAHDGORKW-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cs1 ZINC001248803527 804997487 /nfs/dbraw/zinc/99/74/87/804997487.db2.gz CJYOEIAAOWNLST-UHFFFAOYSA-N 2 2 296.455 3.455 20 0 CGADLP CCc1cc2c(ccnc2-n2c[nH+]cc2C2CC[NH2+]CC2)o1 ZINC001155063635 805531566 /nfs/dbraw/zinc/53/15/66/805531566.db2.gz VEMARCOTCWVMFZ-UHFFFAOYSA-N 2 2 296.374 3.043 20 0 CGADLP CCSc1cc[nH+]c(N2CCCCC23CC[NH2+]CC3)c1 ZINC001165340636 806997952 /nfs/dbraw/zinc/99/79/52/806997952.db2.gz WASISEWPVMCDBK-UHFFFAOYSA-N 2 2 291.464 3.306 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257294516 807090698 /nfs/dbraw/zinc/09/06/98/807090698.db2.gz QGPNEFWPVZUJJK-QZTJIDSGSA-N 2 2 290.451 3.054 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257294516 807090705 /nfs/dbraw/zinc/09/07/05/807090705.db2.gz QGPNEFWPVZUJJK-QZTJIDSGSA-N 2 2 290.451 3.054 20 0 CGADLP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257664830 807207811 /nfs/dbraw/zinc/20/78/11/807207811.db2.gz YKUXQTUYXSQEDD-HOTGVXAUSA-N 2 2 282.497 3.126 20 0 CGADLP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257664830 807207814 /nfs/dbraw/zinc/20/78/14/807207814.db2.gz YKUXQTUYXSQEDD-HOTGVXAUSA-N 2 2 282.497 3.126 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCSC1 ZINC001257684600 807216018 /nfs/dbraw/zinc/21/60/18/807216018.db2.gz VQUATXHOSCXTOY-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCSC1 ZINC001257684600 807216024 /nfs/dbraw/zinc/21/60/24/807216024.db2.gz VQUATXHOSCXTOY-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP c1cn(CC[NH2+]C2CCC(OCc3ccccc3)CC2)c[nH+]1 ZINC001257818261 807222394 /nfs/dbraw/zinc/22/23/94/807222394.db2.gz DTUUHRLLIJCWJJ-UHFFFAOYSA-N 2 2 299.418 3.001 20 0 CGADLP Cc1[nH+]cn([C@H](C)C[C@@H](C)CC(C)C)c1CC[NH3+] ZINC001258050128 807275988 /nfs/dbraw/zinc/27/59/88/807275988.db2.gz BHSQXPGBHMDNEC-QWHCGFSZSA-N 2 2 251.418 3.326 20 0 CGADLP CN(C)c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC001212694184 815105429 /nfs/dbraw/zinc/10/54/29/815105429.db2.gz NWWOXVRALJJBBD-UHFFFAOYSA-N 2 2 293.374 3.136 20 0 CGADLP COCC[N@H+]([C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001258094302 807303124 /nfs/dbraw/zinc/30/31/24/807303124.db2.gz KYCBCIFGEJAXTO-MRXNPFEDSA-N 2 2 282.472 3.164 20 0 CGADLP COCC[N@@H+]([C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001258094302 807303132 /nfs/dbraw/zinc/30/31/32/807303132.db2.gz KYCBCIFGEJAXTO-MRXNPFEDSA-N 2 2 282.472 3.164 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001168168231 807331752 /nfs/dbraw/zinc/33/17/52/807331752.db2.gz RQHBCOFPIUNWNO-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001168168231 807331760 /nfs/dbraw/zinc/33/17/60/807331760.db2.gz RQHBCOFPIUNWNO-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H]1CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001258170421 807338478 /nfs/dbraw/zinc/33/84/78/807338478.db2.gz KLDCLAQITBCPBT-GJZGRUSLSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccco2)C1 ZINC001258197702 807357015 /nfs/dbraw/zinc/35/70/15/807357015.db2.gz PNNBPGHAFZEOKR-GDBMZVCRSA-N 2 2 286.375 3.067 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccco2)C1 ZINC001258197702 807357023 /nfs/dbraw/zinc/35/70/23/807357023.db2.gz PNNBPGHAFZEOKR-GDBMZVCRSA-N 2 2 286.375 3.067 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258332115 807414165 /nfs/dbraw/zinc/41/41/65/807414165.db2.gz TZKNFALUONLRHL-LBPRGKRZSA-N 2 2 277.437 3.344 20 0 CGADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258435572 807449226 /nfs/dbraw/zinc/44/92/26/807449226.db2.gz XQUOWDXZFZHVPO-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258435572 807449231 /nfs/dbraw/zinc/44/92/31/807449231.db2.gz XQUOWDXZFZHVPO-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258443436 807452573 /nfs/dbraw/zinc/45/25/73/807452573.db2.gz MIXKIIHFDQFGDC-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258443436 807452577 /nfs/dbraw/zinc/45/25/77/807452577.db2.gz MIXKIIHFDQFGDC-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258443436 807452583 /nfs/dbraw/zinc/45/25/83/807452583.db2.gz MIXKIIHFDQFGDC-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258443436 807452589 /nfs/dbraw/zinc/45/25/89/807452589.db2.gz MIXKIIHFDQFGDC-PMPSAXMXSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H](CC1CC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258475010 807472965 /nfs/dbraw/zinc/47/29/65/807472965.db2.gz ZZYHDYDSROGGIU-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H](CC1CC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258475010 807472967 /nfs/dbraw/zinc/47/29/67/807472967.db2.gz ZZYHDYDSROGGIU-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP CC1(C)CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258608442 807505954 /nfs/dbraw/zinc/50/59/54/807505954.db2.gz KLYORTFIQAYNBB-AWEZNQCLSA-N 2 2 291.414 3.358 20 0 CGADLP C[C@H](Cc1cccnc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258620224 807514350 /nfs/dbraw/zinc/51/43/50/807514350.db2.gz FZGZVGOCXGCSRV-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258654783 807524210 /nfs/dbraw/zinc/52/42/10/807524210.db2.gz TZLCGAOCSXMDAJ-KRWDZBQOSA-N 2 2 284.403 3.461 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258663761 807531567 /nfs/dbraw/zinc/53/15/67/807531567.db2.gz YGIFSJBGCZDHBT-QRVBRYPASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258663761 807531574 /nfs/dbraw/zinc/53/15/74/807531574.db2.gz YGIFSJBGCZDHBT-QRVBRYPASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258663761 807531581 /nfs/dbraw/zinc/53/15/81/807531581.db2.gz YGIFSJBGCZDHBT-QRVBRYPASA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258663761 807531587 /nfs/dbraw/zinc/53/15/87/807531587.db2.gz YGIFSJBGCZDHBT-QRVBRYPASA-N 2 2 286.463 3.424 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001258701579 807556363 /nfs/dbraw/zinc/55/63/63/807556363.db2.gz KJQJTEYWINVNHZ-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001258701579 807556367 /nfs/dbraw/zinc/55/63/67/807556367.db2.gz KJQJTEYWINVNHZ-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001169059051 807562554 /nfs/dbraw/zinc/56/25/54/807562554.db2.gz MODZIYHGAVDLIQ-MRXNPFEDSA-N 2 2 271.408 3.214 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001169115273 807580571 /nfs/dbraw/zinc/58/05/71/807580571.db2.gz HYRXWHDPGRHTKE-QKDCVEJESA-N 2 2 288.410 3.420 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CCC1)C2 ZINC001169115273 807580575 /nfs/dbraw/zinc/58/05/75/807580575.db2.gz HYRXWHDPGRHTKE-QKDCVEJESA-N 2 2 288.410 3.420 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001258735896 807582341 /nfs/dbraw/zinc/58/23/41/807582341.db2.gz FKQGVQPPTDQLHG-ZDUSSCGKSA-N 2 2 268.832 3.202 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC001169117334 807582838 /nfs/dbraw/zinc/58/28/38/807582838.db2.gz YRUNZDLVPFDMHV-DOERSZECSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC001169117334 807582843 /nfs/dbraw/zinc/58/28/43/807582843.db2.gz YRUNZDLVPFDMHV-DOERSZECSA-N 2 2 280.362 3.241 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001169124978 807584573 /nfs/dbraw/zinc/58/45/73/807584573.db2.gz VBRAAYZJAWNJGS-ZSOGYDGISA-N 2 2 293.842 3.185 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001169124978 807584579 /nfs/dbraw/zinc/58/45/79/807584579.db2.gz VBRAAYZJAWNJGS-ZSOGYDGISA-N 2 2 293.842 3.185 20 0 CGADLP Cc1[nH+]c2ccc(-n3ccc([C@H](C)[NH3+])n3)cc2n1C(C)C ZINC001169234568 807610905 /nfs/dbraw/zinc/61/09/05/807610905.db2.gz YXWVZXDLQAYNOI-NSHDSACASA-N 2 2 283.379 3.131 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258848955 807657957 /nfs/dbraw/zinc/65/79/57/807657957.db2.gz LHKQIAZTEZBVSW-KRWDZBQOSA-N 2 2 274.452 3.424 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258848955 807657962 /nfs/dbraw/zinc/65/79/62/807657962.db2.gz LHKQIAZTEZBVSW-KRWDZBQOSA-N 2 2 274.452 3.424 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)C2)C1 ZINC001170160289 807781119 /nfs/dbraw/zinc/78/11/19/807781119.db2.gz HVCYCDJHIUEQRW-BPLDGKMQSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 ZINC001170160289 807781121 /nfs/dbraw/zinc/78/11/21/807781121.db2.gz HVCYCDJHIUEQRW-BPLDGKMQSA-N 2 2 260.381 3.032 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccccc1Cl ZINC001170293462 807817832 /nfs/dbraw/zinc/81/78/32/807817832.db2.gz LJLFBTATSKAJHA-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccccc1Cl ZINC001170293462 807817839 /nfs/dbraw/zinc/81/78/39/807817839.db2.gz LJLFBTATSKAJHA-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](C)c1ccccc1SC)C[NH+](C)C ZINC001262206856 807838350 /nfs/dbraw/zinc/83/83/50/807838350.db2.gz MWUVBNJVWKEMCA-UONOGXRCSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]c1 ZINC001170454108 807846605 /nfs/dbraw/zinc/84/66/05/807846605.db2.gz UCFUAFWAHHKQGM-UHFFFAOYSA-N 2 2 261.413 3.453 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171411268 808050715 /nfs/dbraw/zinc/05/07/15/808050715.db2.gz HGLLSGPGASDDPD-HOTGVXAUSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171411268 808050726 /nfs/dbraw/zinc/05/07/26/808050726.db2.gz HGLLSGPGASDDPD-HOTGVXAUSA-N 2 2 290.426 3.003 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1(C)C ZINC001171641119 808111861 /nfs/dbraw/zinc/11/18/61/808111861.db2.gz CYXYKNHPBFOGJY-OCCSQVGLSA-N 2 2 250.430 3.122 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1(C)C ZINC001171641119 808111862 /nfs/dbraw/zinc/11/18/62/808111862.db2.gz CYXYKNHPBFOGJY-OCCSQVGLSA-N 2 2 250.430 3.122 20 0 CGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001172256433 808209094 /nfs/dbraw/zinc/20/90/94/808209094.db2.gz WEKMPIVHOBMJTP-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001172256433 808209102 /nfs/dbraw/zinc/20/91/02/808209102.db2.gz WEKMPIVHOBMJTP-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@@H]1C ZINC001172371489 808267248 /nfs/dbraw/zinc/26/72/48/808267248.db2.gz UPSDRYKVJOGQBK-WTTBNOFXSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@@H]1C ZINC001172371489 808267252 /nfs/dbraw/zinc/26/72/52/808267252.db2.gz UPSDRYKVJOGQBK-WTTBNOFXSA-N 2 2 264.457 3.275 20 0 CGADLP CCOCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172427522 808305861 /nfs/dbraw/zinc/30/58/61/808305861.db2.gz PKUPGRFNMUNGJX-HNNXBMFYSA-N 2 2 287.407 3.119 20 0 CGADLP CCOCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172427522 808305870 /nfs/dbraw/zinc/30/58/70/808305870.db2.gz PKUPGRFNMUNGJX-HNNXBMFYSA-N 2 2 287.407 3.119 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172856135 808463207 /nfs/dbraw/zinc/46/32/07/808463207.db2.gz CULSSIXGQRBESD-DOMZBBRYSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172856135 808463209 /nfs/dbraw/zinc/46/32/09/808463209.db2.gz CULSSIXGQRBESD-DOMZBBRYSA-N 2 2 298.833 3.482 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172881946 808474796 /nfs/dbraw/zinc/47/47/96/808474796.db2.gz JXPLYJOGOGVVCR-YPMHNXCESA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172881946 808474799 /nfs/dbraw/zinc/47/47/99/808474799.db2.gz JXPLYJOGOGVVCR-YPMHNXCESA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173212066 808538012 /nfs/dbraw/zinc/53/80/12/808538012.db2.gz VAHGOWHUZVUJLV-GDIGMMSISA-N 2 2 280.415 3.286 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001275829565 808969785 /nfs/dbraw/zinc/96/97/85/808969785.db2.gz VNMIAKNLRQOTJF-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001275829565 808969788 /nfs/dbraw/zinc/96/97/88/808969788.db2.gz VNMIAKNLRQOTJF-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001275829565 808969790 /nfs/dbraw/zinc/96/97/90/808969790.db2.gz VNMIAKNLRQOTJF-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001275829565 808969793 /nfs/dbraw/zinc/96/97/93/808969793.db2.gz VNMIAKNLRQOTJF-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cnc1C ZINC001276869772 809040926 /nfs/dbraw/zinc/04/09/26/809040926.db2.gz IEDNPIRNPDHMLO-GOSISDBHSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cnc1C ZINC001276869772 809040933 /nfs/dbraw/zinc/04/09/33/809040933.db2.gz IEDNPIRNPDHMLO-GOSISDBHSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cnc1C ZINC001276869772 809040942 /nfs/dbraw/zinc/04/09/42/809040942.db2.gz IEDNPIRNPDHMLO-GOSISDBHSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cnc1C ZINC001276869772 809040949 /nfs/dbraw/zinc/04/09/49/809040949.db2.gz IEDNPIRNPDHMLO-GOSISDBHSA-N 2 2 287.451 3.006 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001177061937 809776975 /nfs/dbraw/zinc/77/69/75/809776975.db2.gz XJMIMBNXQAUQAW-QGZVFWFLSA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001177061937 809776978 /nfs/dbraw/zinc/77/69/78/809776978.db2.gz XJMIMBNXQAUQAW-QGZVFWFLSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001182874548 810128466 /nfs/dbraw/zinc/12/84/66/810128466.db2.gz SMHZVTYBBSBUQF-OTRWWLKZSA-N 2 2 264.457 3.131 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001183379634 810147317 /nfs/dbraw/zinc/14/73/17/810147317.db2.gz PVQPLBSPSOLZRY-RYQLBKOJSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001183379634 810147321 /nfs/dbraw/zinc/14/73/21/810147321.db2.gz PVQPLBSPSOLZRY-RYQLBKOJSA-N 2 2 296.499 3.434 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001200411758 811688614 /nfs/dbraw/zinc/68/86/14/811688614.db2.gz IKIOCAJUOYNHFM-BRWVUGGUSA-N 2 2 264.457 3.443 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001200411758 811688620 /nfs/dbraw/zinc/68/86/20/811688620.db2.gz IKIOCAJUOYNHFM-BRWVUGGUSA-N 2 2 264.457 3.443 20 0 CGADLP CC(C)c1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001200752561 811739930 /nfs/dbraw/zinc/73/99/30/811739930.db2.gz XLSCVXVJYZFUKS-OAHLLOKOSA-N 2 2 260.425 3.241 20 0 CGADLP CC(C)c1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001200752561 811739932 /nfs/dbraw/zinc/73/99/32/811739932.db2.gz XLSCVXVJYZFUKS-OAHLLOKOSA-N 2 2 260.425 3.241 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201750253 811957139 /nfs/dbraw/zinc/95/71/39/811957139.db2.gz ISZCVPLHCQDJAV-IAGOWNOFSA-N 2 2 287.451 3.026 20 0 CGADLP c1cc(OC2CC[NH+](CC3CCCC3)CC2)cc[nH+]1 ZINC001202138014 812022496 /nfs/dbraw/zinc/02/24/96/812022496.db2.gz BCTBBXQIGPUNFH-UHFFFAOYSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]3C2)ccn1 ZINC001202159924 812026263 /nfs/dbraw/zinc/02/62/63/812026263.db2.gz DZVOBDUVIBNXFN-MOPGFXCFSA-N 2 2 299.462 3.026 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]3C2)ccn1 ZINC001202159924 812026273 /nfs/dbraw/zinc/02/62/73/812026273.db2.gz DZVOBDUVIBNXFN-MOPGFXCFSA-N 2 2 299.462 3.026 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCC4)C[C@@H]3C2)ccn1 ZINC001202159924 812026282 /nfs/dbraw/zinc/02/62/82/812026282.db2.gz DZVOBDUVIBNXFN-MOPGFXCFSA-N 2 2 299.462 3.026 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCC4)C[C@@H]3C2)ccn1 ZINC001202159924 812026293 /nfs/dbraw/zinc/02/62/93/812026293.db2.gz DZVOBDUVIBNXFN-MOPGFXCFSA-N 2 2 299.462 3.026 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(C)[nH+]1 ZINC001203247215 812281158 /nfs/dbraw/zinc/28/11/58/812281158.db2.gz VZHHSWWTFWWZSM-UHFFFAOYSA-N 2 2 279.403 3.385 20 0 CGADLP CCc1[nH]c(C[N@H+]2CCCC3(CC(F)C3)CC2)c(C)[nH+]1 ZINC001203247215 812281164 /nfs/dbraw/zinc/28/11/64/812281164.db2.gz VZHHSWWTFWWZSM-UHFFFAOYSA-N 2 2 279.403 3.385 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001203407562 812344579 /nfs/dbraw/zinc/34/45/79/812344579.db2.gz BIDSXZVDSIBREU-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001203407562 812344584 /nfs/dbraw/zinc/34/45/84/812344584.db2.gz BIDSXZVDSIBREU-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC)CC1 ZINC001203438618 812357241 /nfs/dbraw/zinc/35/72/41/812357241.db2.gz MWIGASAHGWZDJQ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC)CC1 ZINC001203438618 812357252 /nfs/dbraw/zinc/35/72/52/812357252.db2.gz MWIGASAHGWZDJQ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203698175 812431709 /nfs/dbraw/zinc/43/17/09/812431709.db2.gz QRXSCSYTRQNOCI-OKILXGFUSA-N 2 2 298.352 3.089 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203698175 812431713 /nfs/dbraw/zinc/43/17/13/812431713.db2.gz QRXSCSYTRQNOCI-OKILXGFUSA-N 2 2 298.352 3.089 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203698175 812431718 /nfs/dbraw/zinc/43/17/18/812431718.db2.gz QRXSCSYTRQNOCI-OKILXGFUSA-N 2 2 298.352 3.089 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203698175 812431723 /nfs/dbraw/zinc/43/17/23/812431723.db2.gz QRXSCSYTRQNOCI-OKILXGFUSA-N 2 2 298.352 3.089 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001203802811 812467691 /nfs/dbraw/zinc/46/76/91/812467691.db2.gz JUPFOLGWALJGHT-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001203802811 812467693 /nfs/dbraw/zinc/46/76/93/812467693.db2.gz JUPFOLGWALJGHT-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001203802811 812467694 /nfs/dbraw/zinc/46/76/94/812467694.db2.gz JUPFOLGWALJGHT-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1 ZINC001203802811 812467696 /nfs/dbraw/zinc/46/76/96/812467696.db2.gz JUPFOLGWALJGHT-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999348 812514487 /nfs/dbraw/zinc/51/44/87/812514487.db2.gz CCXUQQCQZAAYDG-MOPGFXCFSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999348 812514492 /nfs/dbraw/zinc/51/44/92/812514492.db2.gz CCXUQQCQZAAYDG-MOPGFXCFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999348 812514494 /nfs/dbraw/zinc/51/44/94/812514494.db2.gz CCXUQQCQZAAYDG-MOPGFXCFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999348 812514497 /nfs/dbraw/zinc/51/44/97/812514497.db2.gz CCXUQQCQZAAYDG-MOPGFXCFSA-N 2 2 280.415 3.366 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001204035889 812527943 /nfs/dbraw/zinc/52/79/43/812527943.db2.gz ZQBQFAXTCZRAEV-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001204035889 812527947 /nfs/dbraw/zinc/52/79/47/812527947.db2.gz ZQBQFAXTCZRAEV-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001204394847 812627615 /nfs/dbraw/zinc/62/76/15/812627615.db2.gz UBYKMIKMHHOMKW-MRXNPFEDSA-N 2 2 286.375 3.199 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001204394847 812627617 /nfs/dbraw/zinc/62/76/17/812627617.db2.gz UBYKMIKMHHOMKW-MRXNPFEDSA-N 2 2 286.375 3.199 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@](C)([NH3+])C3)ccc21 ZINC001204772917 812732667 /nfs/dbraw/zinc/73/26/67/812732667.db2.gz ZYNXAJBRIGFFHR-IBGZPJMESA-N 2 2 293.414 3.255 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@](C)([NH3+])C3)ccc21 ZINC001204772917 812732672 /nfs/dbraw/zinc/73/26/72/812732672.db2.gz ZYNXAJBRIGFFHR-IBGZPJMESA-N 2 2 293.414 3.255 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001204782814 812735160 /nfs/dbraw/zinc/73/51/60/812735160.db2.gz KDEVHDRAPYGUKP-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001204782814 812735162 /nfs/dbraw/zinc/73/51/62/812735162.db2.gz KDEVHDRAPYGUKP-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204800822 812740624 /nfs/dbraw/zinc/74/06/24/812740624.db2.gz HEKCTRZFQYPRNJ-LJQANCHMSA-N 2 2 280.415 3.201 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204800822 812740629 /nfs/dbraw/zinc/74/06/29/812740629.db2.gz HEKCTRZFQYPRNJ-LJQANCHMSA-N 2 2 280.415 3.201 20 0 CGADLP CC[NH2+]CC[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885085 812763803 /nfs/dbraw/zinc/76/38/03/812763803.db2.gz HSNQFZUUSRXYDI-UHFFFAOYSA-N 2 2 274.452 3.331 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001204932285 812782623 /nfs/dbraw/zinc/78/26/23/812782623.db2.gz IZAGUDPVICWUFK-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001204932285 812782624 /nfs/dbraw/zinc/78/26/24/812782624.db2.gz IZAGUDPVICWUFK-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCCC[C@H]3C[NH3+])cc2c1 ZINC001204933647 812784108 /nfs/dbraw/zinc/78/41/08/812784108.db2.gz WKXBNCGKGDCFBQ-ZDUSSCGKSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCCC[C@H]3C[NH3+])cc2c1 ZINC001204933647 812784113 /nfs/dbraw/zinc/78/41/13/812784113.db2.gz WKXBNCGKGDCFBQ-ZDUSSCGKSA-N 2 2 290.432 3.223 20 0 CGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccn2cc[nH+]c2c1 ZINC001204971772 812804069 /nfs/dbraw/zinc/80/40/69/812804069.db2.gz PQAOQNXIECJLIQ-UHFFFAOYSA-N 2 2 281.294 3.173 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001205124274 812875658 /nfs/dbraw/zinc/87/56/58/812875658.db2.gz NCIMCGOUPLRPCW-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001205124274 812875669 /nfs/dbraw/zinc/87/56/69/812875669.db2.gz NCIMCGOUPLRPCW-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205257433 812919429 /nfs/dbraw/zinc/91/94/29/812919429.db2.gz VNUDLVDCPSOXSJ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205257433 812919431 /nfs/dbraw/zinc/91/94/31/812919431.db2.gz VNUDLVDCPSOXSJ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CCC1 ZINC001205435010 812982253 /nfs/dbraw/zinc/98/22/53/812982253.db2.gz UALQDHKFMKFLRV-LSDHHAIUSA-N 2 2 294.483 3.187 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205853690 813108337 /nfs/dbraw/zinc/10/83/37/813108337.db2.gz IWWARDFUIHBSCG-HIFRSBDPSA-N 2 2 278.465 3.358 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205853690 813108339 /nfs/dbraw/zinc/10/83/39/813108339.db2.gz IWWARDFUIHBSCG-HIFRSBDPSA-N 2 2 278.465 3.358 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901357 813122481 /nfs/dbraw/zinc/12/24/81/813122481.db2.gz COOUBPOFXTYIII-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901357 813122483 /nfs/dbraw/zinc/12/24/83/813122483.db2.gz COOUBPOFXTYIII-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC001205904257 813126069 /nfs/dbraw/zinc/12/60/69/813126069.db2.gz TYHGLKSJPPIIPJ-YPMHNXCESA-N 2 2 297.240 3.008 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1 ZINC001205904257 813126073 /nfs/dbraw/zinc/12/60/73/813126073.db2.gz TYHGLKSJPPIIPJ-YPMHNXCESA-N 2 2 297.240 3.008 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)c2ccccc2n3C)C[C@H]1[NH3+] ZINC001206058905 813185559 /nfs/dbraw/zinc/18/55/59/813185559.db2.gz XTPPBRJIONGZQZ-CXAGYDPISA-N 2 2 293.414 3.111 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C[C@H]1[NH3+] ZINC001206058905 813185566 /nfs/dbraw/zinc/18/55/66/813185566.db2.gz XTPPBRJIONGZQZ-CXAGYDPISA-N 2 2 293.414 3.111 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1C(C)C ZINC001206258087 813260059 /nfs/dbraw/zinc/26/00/59/813260059.db2.gz QTFHIASYQCRUJS-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1C(C)C ZINC001206258087 813260062 /nfs/dbraw/zinc/26/00/62/813260062.db2.gz QTFHIASYQCRUJS-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206258175 813260422 /nfs/dbraw/zinc/26/04/22/813260422.db2.gz SMZFVNRFUVYQEX-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206258175 813260428 /nfs/dbraw/zinc/26/04/28/813260428.db2.gz SMZFVNRFUVYQEX-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3ocnc3c2)C1 ZINC001242598022 823053683 /nfs/dbraw/zinc/05/36/83/823053683.db2.gz IYZSFFLHJXZNHU-HNNXBMFYSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ocnc3c2)C1 ZINC001242598022 823053690 /nfs/dbraw/zinc/05/36/90/823053690.db2.gz IYZSFFLHJXZNHU-HNNXBMFYSA-N 2 2 293.370 3.028 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206767593 813430466 /nfs/dbraw/zinc/43/04/66/813430466.db2.gz CFMFZPPPJNWFBV-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206767593 813430470 /nfs/dbraw/zinc/43/04/70/813430470.db2.gz CFMFZPPPJNWFBV-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206767594 813430537 /nfs/dbraw/zinc/43/05/37/813430537.db2.gz CFMFZPPPJNWFBV-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206767594 813430540 /nfs/dbraw/zinc/43/05/40/813430540.db2.gz CFMFZPPPJNWFBV-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccncc1F ZINC001206789815 813437686 /nfs/dbraw/zinc/43/76/86/813437686.db2.gz VSRNLPFJVAYZHR-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccncc1F ZINC001206789815 813437691 /nfs/dbraw/zinc/43/76/91/813437691.db2.gz VSRNLPFJVAYZHR-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC001206789815 813437697 /nfs/dbraw/zinc/43/76/97/813437697.db2.gz VSRNLPFJVAYZHR-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccncc1F ZINC001206789815 813437703 /nfs/dbraw/zinc/43/77/03/813437703.db2.gz VSRNLPFJVAYZHR-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2scnc2C)CC1 ZINC001206991802 813462397 /nfs/dbraw/zinc/46/23/97/813462397.db2.gz OUIZCSXILXFWNV-UHFFFAOYSA-N 2 2 281.469 3.148 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2scnc2C)CC1 ZINC001206991802 813462400 /nfs/dbraw/zinc/46/24/00/813462400.db2.gz OUIZCSXILXFWNV-UHFFFAOYSA-N 2 2 281.469 3.148 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001207093955 813483703 /nfs/dbraw/zinc/48/37/03/813483703.db2.gz ONHBZTPEFLMKRD-SJORKVTESA-N 2 2 296.499 3.194 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001207093955 813483709 /nfs/dbraw/zinc/48/37/09/813483709.db2.gz ONHBZTPEFLMKRD-SJORKVTESA-N 2 2 296.499 3.194 20 0 CGADLP COc1ccccc1[C@@H](C)[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282044 813534150 /nfs/dbraw/zinc/53/41/50/813534150.db2.gz DMBRZZHQENBUDG-CQSZACIVSA-N 2 2 278.440 3.276 20 0 CGADLP COc1ccccc1[C@@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282044 813534155 /nfs/dbraw/zinc/53/41/55/813534155.db2.gz DMBRZZHQENBUDG-CQSZACIVSA-N 2 2 278.440 3.276 20 0 CGADLP FC1(F)CCC(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001207346154 813545205 /nfs/dbraw/zinc/54/52/05/813545205.db2.gz UNOXCSKIGFHTDT-UHFFFAOYSA-N 2 2 298.421 3.230 20 0 CGADLP FC1(F)CCC(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001207346154 813545209 /nfs/dbraw/zinc/54/52/09/813545209.db2.gz UNOXCSKIGFHTDT-UHFFFAOYSA-N 2 2 298.421 3.230 20 0 CGADLP CC(C)[N@H+](CCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001207517795 813583588 /nfs/dbraw/zinc/58/35/88/813583588.db2.gz FESYPVRTEMJACE-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP CC(C)[N@@H+](CCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001207517795 813583589 /nfs/dbraw/zinc/58/35/89/813583589.db2.gz FESYPVRTEMJACE-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCCc1ccccc1)C2 ZINC001207613607 813613436 /nfs/dbraw/zinc/61/34/36/813613436.db2.gz KYOJKLCIZGKINL-UHFFFAOYSA-N 2 2 269.392 3.030 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCCc1ccccc1)C2 ZINC001207613607 813613439 /nfs/dbraw/zinc/61/34/39/813613439.db2.gz KYOJKLCIZGKINL-UHFFFAOYSA-N 2 2 269.392 3.030 20 0 CGADLP CC[N@H+](CC[C@@H](C)CCCC(C)(C)O)CCn1cc[nH+]c1 ZINC001207683367 813635184 /nfs/dbraw/zinc/63/51/84/813635184.db2.gz QYJGHCYXYHVECF-INIZCTEOSA-N 2 2 295.471 3.172 20 0 CGADLP CC[N@@H+](CC[C@@H](C)CCCC(C)(C)O)CCn1cc[nH+]c1 ZINC001207683367 813635190 /nfs/dbraw/zinc/63/51/90/813635190.db2.gz QYJGHCYXYHVECF-INIZCTEOSA-N 2 2 295.471 3.172 20 0 CGADLP CC[N@H+](CC[C@@H](C)c1ccc(C)o1)CCn1cc[nH+]c1 ZINC001208164664 813719112 /nfs/dbraw/zinc/71/91/12/813719112.db2.gz AMWSZEGBLXVTPL-CQSZACIVSA-N 2 2 275.396 3.300 20 0 CGADLP CC[N@@H+](CC[C@@H](C)c1ccc(C)o1)CCn1cc[nH+]c1 ZINC001208164664 813719118 /nfs/dbraw/zinc/71/91/18/813719118.db2.gz AMWSZEGBLXVTPL-CQSZACIVSA-N 2 2 275.396 3.300 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208169401 813724379 /nfs/dbraw/zinc/72/43/79/813724379.db2.gz OWXGKYFBNVZAIT-JKSUJKDBSA-N 2 2 261.413 3.197 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCC(C)=C[C@@H]1C ZINC001208169401 813724383 /nfs/dbraw/zinc/72/43/83/813724383.db2.gz OWXGKYFBNVZAIT-JKSUJKDBSA-N 2 2 261.413 3.197 20 0 CGADLP CC(C)[N@H+](CCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001208201547 813742802 /nfs/dbraw/zinc/74/28/02/813742802.db2.gz JWFCRMDRAFPXMV-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP CC(C)[N@@H+](CCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001208201547 813742806 /nfs/dbraw/zinc/74/28/06/813742806.db2.gz JWFCRMDRAFPXMV-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208902003 813891349 /nfs/dbraw/zinc/89/13/49/813891349.db2.gz PKWHJDZKYVXFLH-NWDGAFQWSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H](C)C(F)(F)F)C1 ZINC001208902003 813891357 /nfs/dbraw/zinc/89/13/57/813891357.db2.gz PKWHJDZKYVXFLH-NWDGAFQWSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)c[nH+]c1N ZINC001242695209 823102757 /nfs/dbraw/zinc/10/27/57/823102757.db2.gz SWYWSBUIOSWPNU-HNNXBMFYSA-N 2 2 257.381 3.004 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209730019 814122279 /nfs/dbraw/zinc/12/22/79/814122279.db2.gz CZWMKONWVMPBBW-NSHDSACASA-N 2 2 275.783 3.341 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209730019 814122280 /nfs/dbraw/zinc/12/22/80/814122280.db2.gz CZWMKONWVMPBBW-NSHDSACASA-N 2 2 275.783 3.341 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccc(OC)cc3)c2)C1 ZINC001210561282 814526663 /nfs/dbraw/zinc/52/66/63/814526663.db2.gz KJARSOUWRUJMCU-UHFFFAOYSA-N 2 2 296.414 3.013 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191023 816372753 /nfs/dbraw/zinc/37/27/53/816372753.db2.gz HXXVKFUWUVZLKQ-HOCLYGCPSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191023 816372761 /nfs/dbraw/zinc/37/27/61/816372761.db2.gz HXXVKFUWUVZLKQ-HOCLYGCPSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237584 816383405 /nfs/dbraw/zinc/38/34/05/816383405.db2.gz NHIUTQFLNOUJAB-GOSISDBHSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237584 816383410 /nfs/dbraw/zinc/38/34/10/816383410.db2.gz NHIUTQFLNOUJAB-GOSISDBHSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222293241 816400121 /nfs/dbraw/zinc/40/01/21/816400121.db2.gz RCGNMTHTRKUCOM-UHFFFAOYSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390848 816430168 /nfs/dbraw/zinc/43/01/68/816430168.db2.gz VLKLPIROPUMSMO-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222390848 816430172 /nfs/dbraw/zinc/43/01/72/816430172.db2.gz VLKLPIROPUMSMO-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cccc2n1 ZINC001222441227 816446277 /nfs/dbraw/zinc/44/62/77/816446277.db2.gz HAJXRPNKBOZSSV-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)cccc2n1 ZINC001222441227 816446280 /nfs/dbraw/zinc/44/62/80/816446280.db2.gz HAJXRPNKBOZSSV-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP c1cc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222477146 816453581 /nfs/dbraw/zinc/45/35/81/816453581.db2.gz IWYMHWVIPDYHCY-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222477146 816453585 /nfs/dbraw/zinc/45/35/85/816453585.db2.gz IWYMHWVIPDYHCY-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP c1ccc(Oc2cccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235025307 818983103 /nfs/dbraw/zinc/98/31/03/818983103.db2.gz ZFXVZRAEICJMGG-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP c1ccc(Oc2cccc(C[N@H+]3CCC4(C[NH2+]C4)C3)c2)cc1 ZINC001235025307 818983108 /nfs/dbraw/zinc/98/31/08/818983108.db2.gz ZFXVZRAEICJMGG-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235036199 818986521 /nfs/dbraw/zinc/98/65/21/818986521.db2.gz JLNXDUYSJYWEHD-HNNXBMFYSA-N 2 2 296.867 3.247 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235036199 818986524 /nfs/dbraw/zinc/98/65/24/818986524.db2.gz JLNXDUYSJYWEHD-HNNXBMFYSA-N 2 2 296.867 3.247 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc(F)c1F ZINC001235043881 818989753 /nfs/dbraw/zinc/98/97/53/818989753.db2.gz ILALEFAGGHQEFU-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc(F)c1F ZINC001235043881 818989758 /nfs/dbraw/zinc/98/97/58/818989758.db2.gz ILALEFAGGHQEFU-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235066202 818993230 /nfs/dbraw/zinc/99/32/30/818993230.db2.gz PSWRVBCPJHKZQA-MRXNPFEDSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235066202 818993237 /nfs/dbraw/zinc/99/32/37/818993237.db2.gz PSWRVBCPJHKZQA-MRXNPFEDSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)c(C)c1C ZINC001235064001 818993360 /nfs/dbraw/zinc/99/33/60/818993360.db2.gz FSBCJPYPMLVJKQ-SFHVURJKSA-N 2 2 272.436 3.167 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)c(C)c1C ZINC001235064001 818993365 /nfs/dbraw/zinc/99/33/65/818993365.db2.gz FSBCJPYPMLVJKQ-SFHVURJKSA-N 2 2 272.436 3.167 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235066649 818994302 /nfs/dbraw/zinc/99/43/02/818994302.db2.gz UDNUZMBYPWOKIS-LJQANCHMSA-N 2 2 296.389 3.431 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1 ZINC001235066649 818994306 /nfs/dbraw/zinc/99/43/06/818994306.db2.gz UDNUZMBYPWOKIS-LJQANCHMSA-N 2 2 296.389 3.431 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235066647 818995446 /nfs/dbraw/zinc/99/54/46/818995446.db2.gz UDNUZMBYPWOKIS-IBGZPJMESA-N 2 2 296.389 3.431 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235066647 818995450 /nfs/dbraw/zinc/99/54/50/818995450.db2.gz UDNUZMBYPWOKIS-IBGZPJMESA-N 2 2 296.389 3.431 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c12 ZINC001235128935 819013840 /nfs/dbraw/zinc/01/38/40/819013840.db2.gz KFKUHRIEVXSBBY-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c12 ZINC001235128935 819013845 /nfs/dbraw/zinc/01/38/45/819013845.db2.gz KFKUHRIEVXSBBY-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)cc2)c1 ZINC001235153482 819017940 /nfs/dbraw/zinc/01/79/40/819017940.db2.gz SIASOKQXGVHHHZ-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)cc2)c1 ZINC001235153482 819017946 /nfs/dbraw/zinc/01/79/46/819017946.db2.gz SIASOKQXGVHHHZ-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)ccnc2c1 ZINC001235175472 819024618 /nfs/dbraw/zinc/02/46/18/819024618.db2.gz WIFLVPPCQRSRQR-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)ccnc2c1 ZINC001235175472 819024627 /nfs/dbraw/zinc/02/46/27/819024627.db2.gz WIFLVPPCQRSRQR-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)c(C)c1C ZINC001235199360 819035141 /nfs/dbraw/zinc/03/51/41/819035141.db2.gz ZAXXUMJUVYRQQE-WMZOPIPTSA-N 2 2 272.436 3.022 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3C[NH2+][C@H]3C2)c(C)c1C ZINC001235199360 819035148 /nfs/dbraw/zinc/03/51/48/819035148.db2.gz ZAXXUMJUVYRQQE-WMZOPIPTSA-N 2 2 272.436 3.022 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)o1 ZINC001235254517 819051052 /nfs/dbraw/zinc/05/10/52/819051052.db2.gz BUTDRNFHUGFQLC-SJORKVTESA-N 2 2 282.387 3.049 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)o1 ZINC001235254517 819051057 /nfs/dbraw/zinc/05/10/57/819051057.db2.gz BUTDRNFHUGFQLC-SJORKVTESA-N 2 2 282.387 3.049 20 0 CGADLP C[N@H+](CCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235343712 819073329 /nfs/dbraw/zinc/07/33/29/819073329.db2.gz YOEJJKGPQHLAJS-CYBMUJFWSA-N 2 2 287.234 3.220 20 0 CGADLP C[N@@H+](CCc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235343712 819073335 /nfs/dbraw/zinc/07/33/35/819073335.db2.gz YOEJJKGPQHLAJS-CYBMUJFWSA-N 2 2 287.234 3.220 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347922 819074895 /nfs/dbraw/zinc/07/48/95/819074895.db2.gz URTJZVMFWKKTSW-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347922 819074900 /nfs/dbraw/zinc/07/49/00/819074900.db2.gz URTJZVMFWKKTSW-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP CN(C)c1ccc2cc(C[N@H+](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001235347499 819075464 /nfs/dbraw/zinc/07/54/64/819075464.db2.gz PDSRNTWWGNZHTC-IBGZPJMESA-N 2 2 297.446 3.090 20 0 CGADLP CN(C)c1ccc2cc(C[N@@H+](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001235347499 819075470 /nfs/dbraw/zinc/07/54/70/819075470.db2.gz PDSRNTWWGNZHTC-IBGZPJMESA-N 2 2 297.446 3.090 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235401007 819085818 /nfs/dbraw/zinc/08/58/18/819085818.db2.gz FPGAMQKDWDBOBT-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235401007 819085823 /nfs/dbraw/zinc/08/58/23/819085823.db2.gz FPGAMQKDWDBOBT-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Clc1c[nH]c2cccc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c12 ZINC001235710829 819147055 /nfs/dbraw/zinc/14/70/55/819147055.db2.gz GVWSYJJWFMJUCG-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1c[nH]c2cccc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c12 ZINC001235710829 819147057 /nfs/dbraw/zinc/14/70/57/819147057.db2.gz GVWSYJJWFMJUCG-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905564 819216444 /nfs/dbraw/zinc/21/64/44/819216444.db2.gz MOLMUHUPTCHYLJ-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905564 819216447 /nfs/dbraw/zinc/21/64/47/819216447.db2.gz MOLMUHUPTCHYLJ-JSGCOSHPSA-N 2 2 272.367 3.291 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC001235925268 819225040 /nfs/dbraw/zinc/22/50/40/819225040.db2.gz OKKCTKVLOUKDFC-JTQLQIEISA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1Cl ZINC001235925268 819225045 /nfs/dbraw/zinc/22/50/45/819225045.db2.gz OKKCTKVLOUKDFC-JTQLQIEISA-N 2 2 273.207 3.307 20 0 CGADLP Cc1cc(Br)cc(C)c1C[N@@H+](CC[NH3+])C(C)C ZINC001235946874 819235704 /nfs/dbraw/zinc/23/57/04/819235704.db2.gz AMJSUHLJAHWMMT-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1cc(Br)cc(C)c1C[N@H+](CC[NH3+])C(C)C ZINC001235946874 819235709 /nfs/dbraw/zinc/23/57/09/819235709.db2.gz AMJSUHLJAHWMMT-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001235948052 819238524 /nfs/dbraw/zinc/23/85/24/819238524.db2.gz REYLIHAYUANVTI-UHFFFAOYSA-N 2 2 282.431 3.447 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Cc2ccccc2)cc1 ZINC001235948052 819238531 /nfs/dbraw/zinc/23/85/31/819238531.db2.gz REYLIHAYUANVTI-UHFFFAOYSA-N 2 2 282.431 3.447 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001236007820 819271884 /nfs/dbraw/zinc/27/18/84/819271884.db2.gz BTUZSRPCQZUKPL-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1C)[C@H]1CCC[NH2+]C1 ZINC001236007820 819271889 /nfs/dbraw/zinc/27/18/89/819271889.db2.gz BTUZSRPCQZUKPL-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008669 819272135 /nfs/dbraw/zinc/27/21/35/819272135.db2.gz IDWXEDXBSNENGZ-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP CC[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008669 819272140 /nfs/dbraw/zinc/27/21/40/819272140.db2.gz IDWXEDXBSNENGZ-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045529 819284137 /nfs/dbraw/zinc/28/41/37/819284137.db2.gz VQCFJLHDVCZHFJ-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045529 819284144 /nfs/dbraw/zinc/28/41/44/819284144.db2.gz VQCFJLHDVCZHFJ-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047545 819285408 /nfs/dbraw/zinc/28/54/08/819285408.db2.gz MFEMCWXSZLSAAW-KSSFIOAISA-N 2 2 292.426 3.427 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047545 819285415 /nfs/dbraw/zinc/28/54/15/819285415.db2.gz MFEMCWXSZLSAAW-KSSFIOAISA-N 2 2 292.426 3.427 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236051984 819288829 /nfs/dbraw/zinc/28/88/29/819288829.db2.gz YWXXSFOPXFXQIA-YGRLFVJLSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236051984 819288835 /nfs/dbraw/zinc/28/88/35/819288835.db2.gz YWXXSFOPXFXQIA-YGRLFVJLSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc12 ZINC001236060950 819294438 /nfs/dbraw/zinc/29/44/38/819294438.db2.gz KYAVGVVBYUIFQL-RDJZCZTQSA-N 2 2 280.415 3.332 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc12 ZINC001236060950 819294445 /nfs/dbraw/zinc/29/44/45/819294445.db2.gz KYAVGVVBYUIFQL-RDJZCZTQSA-N 2 2 280.415 3.332 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC001236094567 819311633 /nfs/dbraw/zinc/31/16/33/819311633.db2.gz FRXPKXLPRRTMSE-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCC[NH2+]1 ZINC001236094567 819311640 /nfs/dbraw/zinc/31/16/40/819311640.db2.gz FRXPKXLPRRTMSE-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236142786 819343931 /nfs/dbraw/zinc/34/39/31/819343931.db2.gz AHYJNFPQLMXVBI-UHFFFAOYSA-N 2 2 289.810 3.183 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236142786 819343935 /nfs/dbraw/zinc/34/39/35/819343935.db2.gz AHYJNFPQLMXVBI-UHFFFAOYSA-N 2 2 289.810 3.183 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202974 819366582 /nfs/dbraw/zinc/36/65/82/819366582.db2.gz UXAXLQVDDPHJPK-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202974 819366587 /nfs/dbraw/zinc/36/65/87/819366587.db2.gz UXAXLQVDDPHJPK-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206351 819368681 /nfs/dbraw/zinc/36/86/81/819368681.db2.gz JXCZJHKSDWPMMT-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206351 819368685 /nfs/dbraw/zinc/36/86/85/819368685.db2.gz JXCZJHKSDWPMMT-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CC(C)c1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206707 819368703 /nfs/dbraw/zinc/36/87/03/819368703.db2.gz LBIZPABVNSZGDS-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206707 819368707 /nfs/dbraw/zinc/36/87/07/819368707.db2.gz LBIZPABVNSZGDS-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219431 819386126 /nfs/dbraw/zinc/38/61/26/819386126.db2.gz WDDDHURVCOPHMN-IRXDYDNUSA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219431 819386131 /nfs/dbraw/zinc/38/61/31/819386131.db2.gz WDDDHURVCOPHMN-IRXDYDNUSA-N 2 2 290.451 3.484 20 0 CGADLP c1cc2cccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001236239444 819399913 /nfs/dbraw/zinc/39/99/13/819399913.db2.gz HCFUCBWKPXSNIJ-INIZCTEOSA-N 2 2 270.376 3.149 20 0 CGADLP c1cc2cccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2o1 ZINC001236239444 819399920 /nfs/dbraw/zinc/39/99/20/819399920.db2.gz HCFUCBWKPXSNIJ-INIZCTEOSA-N 2 2 270.376 3.149 20 0 CGADLP CCC[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236324259 819426002 /nfs/dbraw/zinc/42/60/02/819426002.db2.gz RMUUPKNNNOMIGP-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236324259 819426004 /nfs/dbraw/zinc/42/60/04/819426004.db2.gz RMUUPKNNNOMIGP-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+](Cc1ccc2occc2c1)[C@@H]1CC[NH2+]C1 ZINC001236324787 819426483 /nfs/dbraw/zinc/42/64/83/819426483.db2.gz ZTEQZRQTDWZCRC-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@@H+](Cc1ccc2occc2c1)[C@@H]1CC[NH2+]C1 ZINC001236324787 819426486 /nfs/dbraw/zinc/42/64/86/819426486.db2.gz ZTEQZRQTDWZCRC-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396447 819450363 /nfs/dbraw/zinc/45/03/63/819450363.db2.gz YGMUYGMKMUCHQF-INIZCTEOSA-N 2 2 264.388 3.036 20 0 CGADLP CC(C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236396447 819450369 /nfs/dbraw/zinc/45/03/69/819450369.db2.gz YGMUYGMKMUCHQF-INIZCTEOSA-N 2 2 264.388 3.036 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434327 819477922 /nfs/dbraw/zinc/47/79/22/819477922.db2.gz QNNFNIYAMFIWJN-ZWNOBZJWSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434327 819477923 /nfs/dbraw/zinc/47/79/23/819477923.db2.gz QNNFNIYAMFIWJN-ZWNOBZJWSA-N 2 2 288.313 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)ccc2n1 ZINC001236531008 819522231 /nfs/dbraw/zinc/52/22/31/819522231.db2.gz UXLUTOBFFVWCLT-KRWDZBQOSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)ccc2n1 ZINC001236531008 819522235 /nfs/dbraw/zinc/52/22/35/819522235.db2.gz UXLUTOBFFVWCLT-KRWDZBQOSA-N 2 2 283.419 3.116 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684638 819571247 /nfs/dbraw/zinc/57/12/47/819571247.db2.gz TXNHQNIDTYCZMN-ZBFHGGJFSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684638 819571249 /nfs/dbraw/zinc/57/12/49/819571249.db2.gz TXNHQNIDTYCZMN-ZBFHGGJFSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684638 819571255 /nfs/dbraw/zinc/57/12/55/819571255.db2.gz TXNHQNIDTYCZMN-ZBFHGGJFSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]21 ZINC001236684638 819571258 /nfs/dbraw/zinc/57/12/58/819571258.db2.gz TXNHQNIDTYCZMN-ZBFHGGJFSA-N 2 2 286.444 3.427 20 0 CGADLP Nc1[nH+]cccc1-c1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC001243477437 823415881 /nfs/dbraw/zinc/41/58/81/823415881.db2.gz NZUQKUITMHBKGB-UHFFFAOYSA-N 2 2 260.300 3.360 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2ccoc21 ZINC001236739966 819588767 /nfs/dbraw/zinc/58/87/67/819588767.db2.gz HLMTYDXLYBWKPZ-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2ccoc21 ZINC001236739966 819588771 /nfs/dbraw/zinc/58/87/71/819588771.db2.gz HLMTYDXLYBWKPZ-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236829899 819609128 /nfs/dbraw/zinc/60/91/28/819609128.db2.gz LKFCTZHJLPUGBH-RWSFTLGLSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236829899 819609131 /nfs/dbraw/zinc/60/91/31/819609131.db2.gz LKFCTZHJLPUGBH-RWSFTLGLSA-N 2 2 299.245 3.471 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC001236865311 819626192 /nfs/dbraw/zinc/62/61/92/819626192.db2.gz IKMVAJWXMUKIBC-NSHDSACASA-N 2 2 292.370 3.468 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC001236865311 819626193 /nfs/dbraw/zinc/62/61/93/819626193.db2.gz IKMVAJWXMUKIBC-NSHDSACASA-N 2 2 292.370 3.468 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2csc3ccccc32)CC1 ZINC001236950303 819637818 /nfs/dbraw/zinc/63/78/18/819637818.db2.gz LVMZPNGPCNRPBQ-GFCCVEGCSA-N 2 2 274.433 3.428 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001237057392 819657012 /nfs/dbraw/zinc/65/70/12/819657012.db2.gz LXECJAWYZVNXCN-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001237057392 819657016 /nfs/dbraw/zinc/65/70/16/819657016.db2.gz LXECJAWYZVNXCN-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382181 819738813 /nfs/dbraw/zinc/73/88/13/819738813.db2.gz MCMANFCSKSJJAO-WMLDXEAASA-N 2 2 283.419 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382181 819738815 /nfs/dbraw/zinc/73/88/15/819738815.db2.gz MCMANFCSKSJJAO-WMLDXEAASA-N 2 2 283.419 3.050 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)n1 ZINC001238120012 819938842 /nfs/dbraw/zinc/93/88/42/819938842.db2.gz SNSJGSSEYHFAGZ-CQSZACIVSA-N 2 2 284.388 3.128 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)n1 ZINC001238120012 819938846 /nfs/dbraw/zinc/93/88/46/819938846.db2.gz SNSJGSSEYHFAGZ-CQSZACIVSA-N 2 2 284.388 3.128 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567437 820047905 /nfs/dbraw/zinc/04/79/05/820047905.db2.gz TXTQJADVEXHRNL-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567437 820047914 /nfs/dbraw/zinc/04/79/14/820047914.db2.gz TXTQJADVEXHRNL-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567437 820047924 /nfs/dbraw/zinc/04/79/24/820047924.db2.gz TXTQJADVEXHRNL-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567437 820047933 /nfs/dbraw/zinc/04/79/33/820047933.db2.gz TXTQJADVEXHRNL-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)cc1OC ZINC001238771583 820115066 /nfs/dbraw/zinc/11/50/66/820115066.db2.gz ZOYSZMACMONVPZ-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)cc1OC ZINC001238771583 820115071 /nfs/dbraw/zinc/11/50/71/820115071.db2.gz ZOYSZMACMONVPZ-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c(F)c2)C1 ZINC001239586131 820434690 /nfs/dbraw/zinc/43/46/90/820434690.db2.gz PVSOGJJCNXAUDY-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c(F)c2)C1 ZINC001239586131 820434695 /nfs/dbraw/zinc/43/46/95/820434695.db2.gz PVSOGJJCNXAUDY-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1 ZINC001239827352 820644136 /nfs/dbraw/zinc/64/41/36/820644136.db2.gz MGOZBBLOIZTOKF-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1 ZINC001239827352 820644142 /nfs/dbraw/zinc/64/41/42/820644142.db2.gz MGOZBBLOIZTOKF-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240732267 821286323 /nfs/dbraw/zinc/28/63/23/821286323.db2.gz GXXKACAGZUXGPS-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240732267 821286330 /nfs/dbraw/zinc/28/63/30/821286330.db2.gz GXXKACAGZUXGPS-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240920136 821415384 /nfs/dbraw/zinc/41/53/84/821415384.db2.gz LIRFOLZESCUDOH-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP COc1ccc(-c2cc[nH+]c(N)c2)c(C[NH+]2CCCCC2)c1 ZINC001241175429 821617486 /nfs/dbraw/zinc/61/74/86/821617486.db2.gz BHRMCEMAIHVUKP-UHFFFAOYSA-N 2 2 297.402 3.325 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1OCC[NH+](C)C ZINC001241243620 821664399 /nfs/dbraw/zinc/66/43/99/821664399.db2.gz WNIRDHYOYPZYLO-UHFFFAOYSA-N 2 2 299.418 3.063 20 0 CGADLP Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc(C)[nH+]1 ZINC001241995214 822264320 /nfs/dbraw/zinc/26/43/20/822264320.db2.gz OOZZLOUNYODMPI-UHFFFAOYSA-N 3 2 295.430 3.289 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cncc(C4CC4)c3)cc2)C1 ZINC001242197726 822907570 /nfs/dbraw/zinc/90/75/70/822907570.db2.gz LXPBCFGLACWKTR-IBGZPJMESA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cncc(C4CC4)c3)cc2)C1 ZINC001242197726 822907574 /nfs/dbraw/zinc/90/75/74/822907574.db2.gz LXPBCFGLACWKTR-IBGZPJMESA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cncc(C4CC4)c3)c2)C1 ZINC001242198383 822908189 /nfs/dbraw/zinc/90/81/89/822908189.db2.gz WCLFJTGTKYWBMH-LJQANCHMSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cncc(C4CC4)c3)c2)C1 ZINC001242198383 822908190 /nfs/dbraw/zinc/90/81/90/822908190.db2.gz WCLFJTGTKYWBMH-LJQANCHMSA-N 2 2 293.414 3.159 20 0 CGADLP Cc1c(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001242286552 822938979 /nfs/dbraw/zinc/93/89/79/822938979.db2.gz ACUXSLWYRKJFIG-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000084468452 932002555 /nfs/dbraw/zinc/00/25/55/932002555.db2.gz INKCHLSVJYJGHJ-DZKIICNBSA-N 2 2 254.462 3.377 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001345097176 936801502 /nfs/dbraw/zinc/80/15/02/936801502.db2.gz HXZOISHBHVLUQL-KBAYOESNSA-N 2 2 298.817 3.022 20 0 CGADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC001345097260 936801526 /nfs/dbraw/zinc/80/15/26/936801526.db2.gz ITZQQAXCCGMKNQ-HZPDHXFCSA-N 2 2 283.419 3.133 20 0 CGADLP Cc1cc(F)cc(N2CCC(CCC[NH+](C)C)CC2)[nH+]1 ZINC001354142466 937091620 /nfs/dbraw/zinc/09/16/20/937091620.db2.gz ZCZOVIXBBJMHSI-UHFFFAOYSA-N 2 2 279.403 3.087 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)c1ccccc1 ZINC001560360698 937212456 /nfs/dbraw/zinc/21/24/56/937212456.db2.gz WGSKPCFSLYVZID-HNNXBMFYSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)c1ccccc1 ZINC001560360698 937212459 /nfs/dbraw/zinc/21/24/59/937212459.db2.gz WGSKPCFSLYVZID-HNNXBMFYSA-N 2 2 260.425 3.038 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)[NH+](C)C)cc1C ZINC001308254247 928870235 /nfs/dbraw/zinc/87/02/35/928870235.db2.gz QFXFIKGPZXUQOM-XITLMJRVSA-N 2 2 260.425 3.165 20 0 CGADLP CC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001460411649 937530821 /nfs/dbraw/zinc/53/08/21/937530821.db2.gz RWXMGBWDRFOLES-IBGZPJMESA-N 2 2 297.446 3.450 20 0 CGADLP CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CCc1c[nH+]cn1C ZINC001460411649 937530823 /nfs/dbraw/zinc/53/08/23/937530823.db2.gz RWXMGBWDRFOLES-IBGZPJMESA-N 2 2 297.446 3.450 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC001461832094 937600531 /nfs/dbraw/zinc/60/05/31/937600531.db2.gz LOSSFZMBYSTRSB-LLVKDONJSA-N 2 2 258.793 3.143 20 0 CGADLP CC(C)[NH+]1CCC(Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001231082113 932675029 /nfs/dbraw/zinc/67/50/29/932675029.db2.gz RGAXZRWEZNORKH-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001306946282 932900167 /nfs/dbraw/zinc/90/01/67/932900167.db2.gz LIYZQMISJLMOQY-CYBMUJFWSA-N 2 2 276.428 3.195 20 0 CGADLP CC(C)CC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001462535775 937648796 /nfs/dbraw/zinc/64/87/96/937648796.db2.gz JNSCCEBTXTZBAN-GOSISDBHSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)CC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001462535775 937648798 /nfs/dbraw/zinc/64/87/98/937648798.db2.gz JNSCCEBTXTZBAN-GOSISDBHSA-N 2 2 287.451 3.429 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC001308193170 933069114 /nfs/dbraw/zinc/06/91/14/933069114.db2.gz RFMAPMXNZXPTPA-UHFFFAOYSA-N 2 2 278.415 3.344 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001308195667 933071507 /nfs/dbraw/zinc/07/15/07/933071507.db2.gz RETQFIDNMHRWLS-CYBMUJFWSA-N 2 2 298.415 3.185 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001308233555 933077774 /nfs/dbraw/zinc/07/77/74/933077774.db2.gz DNPLJKAGJPUMOS-WMZOPIPTSA-N 2 2 299.418 3.166 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC001462655173 937657269 /nfs/dbraw/zinc/65/72/69/937657269.db2.gz RRITXBJOSYSTCT-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC001462655173 937657271 /nfs/dbraw/zinc/65/72/71/937657271.db2.gz RRITXBJOSYSTCT-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CCNc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001308601591 933140010 /nfs/dbraw/zinc/14/00/10/933140010.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC001308601591 933140012 /nfs/dbraw/zinc/14/00/12/933140012.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001308601591 933140014 /nfs/dbraw/zinc/14/00/14/933140014.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001308601591 933140016 /nfs/dbraw/zinc/14/00/16/933140016.db2.gz UYGZHDJCNVBWFO-GDBMZVCRSA-N 2 2 275.440 3.033 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001308741020 933168690 /nfs/dbraw/zinc/16/86/90/933168690.db2.gz FSMAZSXEPPAWTO-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCCC[N@H+]1C1CC1 ZINC001308741020 933168692 /nfs/dbraw/zinc/16/86/92/933168692.db2.gz FSMAZSXEPPAWTO-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001308904792 933200870 /nfs/dbraw/zinc/20/08/70/933200870.db2.gz UQNBPVITLCODMQ-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904792 933200875 /nfs/dbraw/zinc/20/08/75/933200875.db2.gz UQNBPVITLCODMQ-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001308904792 933200881 /nfs/dbraw/zinc/20/08/81/933200881.db2.gz UQNBPVITLCODMQ-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001308904792 933200887 /nfs/dbraw/zinc/20/08/87/933200887.db2.gz UQNBPVITLCODMQ-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308967628 933215952 /nfs/dbraw/zinc/21/59/52/933215952.db2.gz SPEBKTSLLKPMAR-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308967628 933215958 /nfs/dbraw/zinc/21/59/58/933215958.db2.gz SPEBKTSLLKPMAR-BBRMVZONSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC001340969522 933314418 /nfs/dbraw/zinc/31/44/18/933314418.db2.gz RPUDVEKBZMMWJZ-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC001340969522 933314431 /nfs/dbraw/zinc/31/44/31/933314431.db2.gz RPUDVEKBZMMWJZ-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP CCC/C(C)=C\C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318491836 933734415 /nfs/dbraw/zinc/73/44/15/933734415.db2.gz RYFWCSFQDYXRSS-BENRWUELSA-N 2 2 284.363 3.261 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C1/CC[C@H](C)C1 ZINC001319498705 933884345 /nfs/dbraw/zinc/88/43/45/933884345.db2.gz AVIJDGHRWZZYHM-GVIGZQTCSA-N 2 2 296.374 3.261 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC1([NH+](C)C)CCC1 ZINC001320688403 934087607 /nfs/dbraw/zinc/08/76/07/934087607.db2.gz GFGDDUAYHTYIAU-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP CC(C)c1cc(NCC[NH+]2CC=CC2)nc(C(C)C)[nH+]1 ZINC001324527097 934520498 /nfs/dbraw/zinc/52/04/98/934520498.db2.gz CHYQNJRDRBURAO-UHFFFAOYSA-N 2 2 274.412 3.007 20 0 CGADLP Cc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C2CCC2)[nH+]1 ZINC001472662608 937779766 /nfs/dbraw/zinc/77/97/66/937779766.db2.gz CGQIZSGYWUBFDU-ZDUSSCGKSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1ccccc1NC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC001327255992 935047597 /nfs/dbraw/zinc/04/75/97/935047597.db2.gz TXZDIBJFNIFJGA-UHFFFAOYSA-N 2 2 296.418 3.063 20 0 CGADLP Cc1ccccc1NC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC001327255992 935047603 /nfs/dbraw/zinc/04/76/03/935047603.db2.gz TXZDIBJFNIFJGA-UHFFFAOYSA-N 2 2 296.418 3.063 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126539 936086012 /nfs/dbraw/zinc/08/60/12/936086012.db2.gz RLLRYAFJDUJIJW-GJZGRUSLSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126539 936086017 /nfs/dbraw/zinc/08/60/17/936086017.db2.gz RLLRYAFJDUJIJW-GJZGRUSLSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1[nH]c(C2CCN(c3cc(F)cc(C)[nH+]3)CC2)[nH+]c1C ZINC001338084657 936305051 /nfs/dbraw/zinc/30/50/51/936305051.db2.gz PPMBTJHCXPLWLM-UHFFFAOYSA-N 2 2 288.370 3.253 20 0 CGADLP CCC[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001473913488 937829628 /nfs/dbraw/zinc/82/96/28/937829628.db2.gz GAQBLXXXQINYHQ-QGZVFWFLSA-N 2 2 271.408 3.447 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2nccc3ccccc32)[nH+]c1 ZINC001474035653 937837274 /nfs/dbraw/zinc/83/72/74/937837274.db2.gz XMFYPFHBNOJZCQ-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP c1csc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001474247214 937846545 /nfs/dbraw/zinc/84/65/45/937846545.db2.gz VJDAEJDCSAQHRL-MRXNPFEDSA-N 2 2 283.400 3.476 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001474294527 937849104 /nfs/dbraw/zinc/84/91/04/937849104.db2.gz PXYPPJNQBZEVPF-UHFFFAOYSA-N 2 2 286.463 3.256 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001474294527 937849106 /nfs/dbraw/zinc/84/91/06/937849106.db2.gz PXYPPJNQBZEVPF-UHFFFAOYSA-N 2 2 286.463 3.256 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001550531580 938166907 /nfs/dbraw/zinc/16/69/07/938166907.db2.gz XDJFQWQVBHGRQQ-INIZCTEOSA-N 2 2 287.382 3.269 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001550531580 938166908 /nfs/dbraw/zinc/16/69/08/938166908.db2.gz XDJFQWQVBHGRQQ-INIZCTEOSA-N 2 2 287.382 3.269 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001552313358 938190961 /nfs/dbraw/zinc/19/09/61/938190961.db2.gz GBLDQADLUQPDQT-ZJIFWQFVSA-N 2 2 268.420 3.121 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001552313358 938190962 /nfs/dbraw/zinc/19/09/62/938190962.db2.gz GBLDQADLUQPDQT-ZJIFWQFVSA-N 2 2 268.420 3.121 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001560044160 938242337 /nfs/dbraw/zinc/24/23/37/938242337.db2.gz WTVXGWHIDHXXKZ-KBRIMQKVSA-N 2 2 276.399 3.160 20 0 CGADLP COCCC[N@H+](C)CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001560360400 938254946 /nfs/dbraw/zinc/25/49/46/938254946.db2.gz MUWCHTHBYWEBNS-UHFFFAOYSA-N 2 2 296.499 3.437 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001560360400 938254948 /nfs/dbraw/zinc/25/49/48/938254948.db2.gz MUWCHTHBYWEBNS-UHFFFAOYSA-N 2 2 296.499 3.437 20 0 CGADLP CCC1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC001560365041 938255654 /nfs/dbraw/zinc/25/56/54/938255654.db2.gz JLATYGGEBMABKK-UHFFFAOYSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]C(C)(C)C[NH+](C)C ZINC001560494751 938260579 /nfs/dbraw/zinc/26/05/79/938260579.db2.gz XMRLUCXIJVSFON-HNNXBMFYSA-N 2 2 262.441 3.185 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC001560531157 938262025 /nfs/dbraw/zinc/26/20/25/938262025.db2.gz VUNKOPSGYZIUPS-WRLNGNIRSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC001560531157 938262027 /nfs/dbraw/zinc/26/20/27/938262027.db2.gz VUNKOPSGYZIUPS-WRLNGNIRSA-N 2 2 276.399 3.301 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560790069 938275994 /nfs/dbraw/zinc/27/59/94/938275994.db2.gz RQQQBANKFRTYJU-OAHLLOKOSA-N 2 2 292.442 3.468 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560790069 938275995 /nfs/dbraw/zinc/27/59/95/938275995.db2.gz RQQQBANKFRTYJU-OAHLLOKOSA-N 2 2 292.442 3.468 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC001560945825 938285751 /nfs/dbraw/zinc/28/57/51/938285751.db2.gz KSJHJJTUGZCMCO-NVXWUHKLSA-N 2 2 260.425 3.172 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC001560945825 938285752 /nfs/dbraw/zinc/28/57/52/938285752.db2.gz KSJHJJTUGZCMCO-NVXWUHKLSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1cc([NH2+]CCC(C)C)ccc1N1CC[NH+](C)CC1 ZINC001255764407 960424528 /nfs/dbraw/zinc/42/45/28/960424528.db2.gz KOLJJNUTCNRRTG-UHFFFAOYSA-N 2 2 275.440 3.205 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001574980539 962337949 /nfs/dbraw/zinc/33/79/49/962337949.db2.gz UCUNTUMCQRRWDF-WTQUMQLASA-N 2 2 266.388 3.380 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001575499569 962375261 /nfs/dbraw/zinc/37/52/61/962375261.db2.gz ULEINLLJUNKHTC-XLNGHYISSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001576149080 962441476 /nfs/dbraw/zinc/44/14/76/962441476.db2.gz BMMRGOXMJABRGQ-QWRGUYRKSA-N 2 2 274.330 3.131 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001576149080 962441493 /nfs/dbraw/zinc/44/14/93/962441493.db2.gz BMMRGOXMJABRGQ-QWRGUYRKSA-N 2 2 274.330 3.131 20 0 CGADLP CC[N@H+](Cc1ccccc1Br)CC1(C[NH3+])CC1 ZINC001577738411 962568411 /nfs/dbraw/zinc/56/84/11/962568411.db2.gz UXXOSGLPZHDJMR-UHFFFAOYSA-N 2 2 297.240 3.010 20 0 CGADLP CC[N@@H+](Cc1ccccc1Br)CC1(C[NH3+])CC1 ZINC001577738411 962568419 /nfs/dbraw/zinc/56/84/19/962568419.db2.gz UXXOSGLPZHDJMR-UHFFFAOYSA-N 2 2 297.240 3.010 20 0 CGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]([NH3+])CCOC)o1 ZINC001578255561 962588653 /nfs/dbraw/zinc/58/86/53/962588653.db2.gz UGHSTOBXHMVRDL-GDBMZVCRSA-N 2 2 294.439 3.123 20 0 CGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H]([NH3+])CCOC)o1 ZINC001578255561 962588667 /nfs/dbraw/zinc/58/86/67/962588667.db2.gz UGHSTOBXHMVRDL-GDBMZVCRSA-N 2 2 294.439 3.123 20 0 CGADLP C[NH2+]CCC[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC001578687123 962590298 /nfs/dbraw/zinc/59/02/98/962590298.db2.gz MZJRAXCQGZOODH-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP C[NH2+]CCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC001578687123 962590308 /nfs/dbraw/zinc/59/03/08/962590308.db2.gz MZJRAXCQGZOODH-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc2ccccc21 ZINC001579153205 962607844 /nfs/dbraw/zinc/60/78/44/962607844.db2.gz SWKDPKVESPVSPT-MRXNPFEDSA-N 2 2 284.403 3.080 20 0 CGADLP COCc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC001579090982 962610722 /nfs/dbraw/zinc/61/07/22/962610722.db2.gz OVRFFTBORBLXQZ-UHFFFAOYSA-N 2 2 290.451 3.235 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC23CCOCC3)c[nH+]1 ZINC000337404704 214057805 /nfs/dbraw/zinc/05/78/05/214057805.db2.gz SVDWUKWSBOWVKM-KRWDZBQOSA-N 2 2 288.435 3.262 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000337406777 214060453 /nfs/dbraw/zinc/06/04/53/214060453.db2.gz SXJUXRMFMIFSOI-CYBMUJFWSA-N 2 2 252.402 3.279 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651186612 398212341 /nfs/dbraw/zinc/21/23/41/398212341.db2.gz GEACUYMQBXOFBC-ZDUSSCGKSA-N 2 2 263.429 3.176 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c2ccccc12 ZINC000337518788 214133645 /nfs/dbraw/zinc/13/36/45/214133645.db2.gz SCULTLNBUQTLNJ-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c2ccccc12 ZINC000337518788 214133647 /nfs/dbraw/zinc/13/36/47/214133647.db2.gz SCULTLNBUQTLNJ-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)c(F)c(F)c1 ZINC000424376464 290005556 /nfs/dbraw/zinc/00/55/56/290005556.db2.gz PHHVGNAOPCLZPJ-ZEGGKSINSA-N 2 2 272.314 3.024 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781974 349585580 /nfs/dbraw/zinc/58/55/80/349585580.db2.gz KRVYTIGOVJEUAI-JMSVASOKSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781974 349585583 /nfs/dbraw/zinc/58/55/83/349585583.db2.gz KRVYTIGOVJEUAI-JMSVASOKSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651736168 398278846 /nfs/dbraw/zinc/27/88/46/398278846.db2.gz PCTZIIWJMWMWII-DRPJVOAASA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651736168 398278848 /nfs/dbraw/zinc/27/88/48/398278848.db2.gz PCTZIIWJMWMWII-DRPJVOAASA-N 2 2 250.430 3.028 20 0 CGADLP c1c(CC[NH2+]Cc2cccc3c2CCC3)[nH+]c2ccccn12 ZINC000651750718 398282057 /nfs/dbraw/zinc/28/20/57/398282057.db2.gz URVLAJWHSNDYQR-UHFFFAOYSA-N 2 2 291.398 3.155 20 0 CGADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797559 398289957 /nfs/dbraw/zinc/28/99/57/398289957.db2.gz YHSFPLFMRVZOQJ-HOCLYGCPSA-N 2 2 261.413 3.278 20 0 CGADLP CCc1cccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000652033042 398318182 /nfs/dbraw/zinc/31/81/82/398318182.db2.gz XGPHZIGLHCGMRA-UHFFFAOYSA-N 2 2 279.387 3.495 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000423485271 529454049 /nfs/dbraw/zinc/45/40/49/529454049.db2.gz ZATBOYVOCFMNAD-BDAKNGLRSA-N 2 2 261.196 3.381 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430209 529498815 /nfs/dbraw/zinc/49/88/15/529498815.db2.gz KROGEBRNAFQSCZ-ZYIUAKIQSA-N 2 2 284.403 3.172 20 0 CGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000125884731 187203429 /nfs/dbraw/zinc/20/34/29/187203429.db2.gz STRUCQSMHSKJDA-KBPBESRZSA-N 2 2 264.413 3.046 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc2c(s1)CCCC2 ZINC000423353376 290028081 /nfs/dbraw/zinc/02/80/81/290028081.db2.gz BMXYXCWXOAPOEI-MBNYWOFBSA-N 2 2 278.465 3.276 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)[C@H]1CC1(C)C ZINC000414092195 529621227 /nfs/dbraw/zinc/62/12/27/529621227.db2.gz FEBZUBUGBJNRKD-KFWWJZLASA-N 2 2 275.440 3.483 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423508935 529616722 /nfs/dbraw/zinc/61/67/22/529616722.db2.gz RGCJUTLYWPHVPC-YVEFUNNKSA-N 2 2 287.382 3.134 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cnccc1C ZINC000423515358 529616794 /nfs/dbraw/zinc/61/67/94/529616794.db2.gz XKZGITPDADQTSQ-RDTXWAMCSA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1OC ZINC000423236984 529619153 /nfs/dbraw/zinc/61/91/53/529619153.db2.gz HSNNJNJOWVRHDO-IRXDYDNUSA-N 2 2 284.403 3.436 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000423559799 529707073 /nfs/dbraw/zinc/70/70/73/529707073.db2.gz PDWCWWZNMDLWSZ-VXGBXAGGSA-N 2 2 252.427 3.103 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866760 346942561 /nfs/dbraw/zinc/94/25/61/346942561.db2.gz FDMVGFDFKZUTOU-BBRMVZONSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866760 346942564 /nfs/dbraw/zinc/94/25/64/346942564.db2.gz FDMVGFDFKZUTOU-BBRMVZONSA-N 2 2 273.355 3.420 20 0 CGADLP CC[C@@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000350809414 136378803 /nfs/dbraw/zinc/37/88/03/136378803.db2.gz DLJTXQHFJFPUQK-CQSZACIVSA-N 2 2 290.455 3.077 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000335968071 136384567 /nfs/dbraw/zinc/38/45/67/136384567.db2.gz LCPXHISSRDTNGM-RISCZKNCSA-N 2 2 290.798 3.327 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008026 199297955 /nfs/dbraw/zinc/29/79/55/199297955.db2.gz SNSDTTSHMFPBOQ-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008026 199297957 /nfs/dbraw/zinc/29/79/57/199297957.db2.gz SNSDTTSHMFPBOQ-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008026 199297959 /nfs/dbraw/zinc/29/79/59/199297959.db2.gz SNSDTTSHMFPBOQ-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000295008026 199297960 /nfs/dbraw/zinc/29/79/60/199297960.db2.gz SNSDTTSHMFPBOQ-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000126842733 187265543 /nfs/dbraw/zinc/26/55/43/187265543.db2.gz IBSKINNHSNRQRD-HNNXBMFYSA-N 2 2 287.407 3.096 20 0 CGADLP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)c12 ZINC000623614835 349849718 /nfs/dbraw/zinc/84/97/18/349849718.db2.gz CAAHQEXBFXGOML-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)c12 ZINC000623614835 349849720 /nfs/dbraw/zinc/84/97/20/349849720.db2.gz CAAHQEXBFXGOML-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2c(Cl)oc3ccccc32)n1C ZINC000623645157 349854079 /nfs/dbraw/zinc/85/40/79/349854079.db2.gz PYTOWEIEGZJIGG-UHFFFAOYSA-N 2 2 289.766 3.418 20 0 CGADLP CC[N@H+](CCSC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000592201975 346972124 /nfs/dbraw/zinc/97/21/24/346972124.db2.gz LVQDBOMFWAVKON-UHFFFAOYSA-N 2 2 289.448 3.366 20 0 CGADLP CC[N@@H+](CCSC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000592201975 346972126 /nfs/dbraw/zinc/97/21/26/346972126.db2.gz LVQDBOMFWAVKON-UHFFFAOYSA-N 2 2 289.448 3.366 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623853164 349896441 /nfs/dbraw/zinc/89/64/41/349896441.db2.gz OOSOJCDFTMGVJU-ZIAGYGMSSA-N 2 2 293.480 3.375 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623853164 349896444 /nfs/dbraw/zinc/89/64/44/349896444.db2.gz OOSOJCDFTMGVJU-ZIAGYGMSSA-N 2 2 293.480 3.375 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623859597 349898590 /nfs/dbraw/zinc/89/85/90/349898590.db2.gz UALHZEAMWRQYBD-AWEZNQCLSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCc2scnc21)C[NH+]1CCCCC1 ZINC000623867913 349900257 /nfs/dbraw/zinc/90/02/57/349900257.db2.gz NUVFHGDRYABRIU-KGLIPLIRSA-N 2 2 293.480 3.232 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000623872698 349901612 /nfs/dbraw/zinc/90/16/12/349901612.db2.gz MCRZTUJLAZQWFN-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623878303 349903354 /nfs/dbraw/zinc/90/33/54/349903354.db2.gz DVBHROSEDPGLHT-ZDUSSCGKSA-N 2 2 281.469 3.367 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423226699 529978647 /nfs/dbraw/zinc/97/86/47/529978647.db2.gz RWHBKTKODIWCKW-AWEZNQCLSA-N 2 2 252.377 3.112 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423225587 529978718 /nfs/dbraw/zinc/97/87/18/529978718.db2.gz NJQADGLPMFHKIP-CYBMUJFWSA-N 2 2 288.366 3.488 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000423226280 529978953 /nfs/dbraw/zinc/97/89/53/529978953.db2.gz QCSNHDWJPDBIFE-CYBMUJFWSA-N 2 2 275.223 3.500 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423277946 529986219 /nfs/dbraw/zinc/98/62/19/529986219.db2.gz QORNEXULFUPENI-CHWSQXEVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000044353243 345009313 /nfs/dbraw/zinc/00/93/13/345009313.db2.gz GNFNGBCVPFLZNG-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000060978580 345225292 /nfs/dbraw/zinc/22/52/92/345225292.db2.gz RKHSYTWKIMUXSY-CHWSQXEVSA-N 2 2 284.831 3.391 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000061014994 345226036 /nfs/dbraw/zinc/22/60/36/345226036.db2.gz SHMOZFZRVUGZGP-SFHVURJKSA-N 2 2 274.452 3.472 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188306 345244272 /nfs/dbraw/zinc/24/42/72/345244272.db2.gz HUYPQFCEUGXCEM-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188306 345244274 /nfs/dbraw/zinc/24/42/74/345244274.db2.gz HUYPQFCEUGXCEM-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP CSCCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000131492300 232192616 /nfs/dbraw/zinc/19/26/16/232192616.db2.gz OFOJWVDIXXHRHY-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CSCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000131492300 232192617 /nfs/dbraw/zinc/19/26/17/232192617.db2.gz OFOJWVDIXXHRHY-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CC[N@@H+](Cc1ccon1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154935 345536732 /nfs/dbraw/zinc/53/67/32/345536732.db2.gz RPRGJPPBPPHOOH-QGZVFWFLSA-N 2 2 299.418 3.019 20 0 CGADLP CC[N@H+](Cc1ccon1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154935 345536734 /nfs/dbraw/zinc/53/67/34/345536734.db2.gz RPRGJPPBPPHOOH-QGZVFWFLSA-N 2 2 299.418 3.019 20 0 CGADLP CC[NH+](Cc1ccon1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154935 345536736 /nfs/dbraw/zinc/53/67/36/345536736.db2.gz RPRGJPPBPPHOOH-QGZVFWFLSA-N 2 2 299.418 3.019 20 0 CGADLP CC[NH+](Cc1ccon1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154935 345536738 /nfs/dbraw/zinc/53/67/38/345536738.db2.gz RPRGJPPBPPHOOH-QGZVFWFLSA-N 2 2 299.418 3.019 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccn1 ZINC000090846894 345796562 /nfs/dbraw/zinc/79/65/62/345796562.db2.gz QKHULOZMLBKDOH-MRXNPFEDSA-N 2 2 269.392 3.459 20 0 CGADLP CCC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccn1 ZINC000090846893 345796581 /nfs/dbraw/zinc/79/65/81/345796581.db2.gz QKHULOZMLBKDOH-INIZCTEOSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000092740689 345856386 /nfs/dbraw/zinc/85/63/86/345856386.db2.gz IDBLQJRYJHBBPU-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072832 345830735 /nfs/dbraw/zinc/83/07/35/345830735.db2.gz VNZNFHVGRDUHDO-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072832 345830738 /nfs/dbraw/zinc/83/07/38/345830738.db2.gz VNZNFHVGRDUHDO-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP c1oc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865817 345890041 /nfs/dbraw/zinc/89/00/41/345890041.db2.gz JXBXMSBVNSLMBQ-MRXNPFEDSA-N 2 2 294.354 3.481 20 0 CGADLP c1oc2ccccc2c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865817 345890044 /nfs/dbraw/zinc/89/00/44/345890044.db2.gz JXBXMSBVNSLMBQ-MRXNPFEDSA-N 2 2 294.354 3.481 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866088 345890988 /nfs/dbraw/zinc/89/09/88/345890988.db2.gz HLQAQLUACXNANQ-ZMXQLYDGSA-N 2 2 298.361 3.387 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866088 345890989 /nfs/dbraw/zinc/89/09/89/345890989.db2.gz HLQAQLUACXNANQ-ZMXQLYDGSA-N 2 2 298.361 3.387 20 0 CGADLP C1CCC([N@@H+]2CC[C@H]([NH2+]C3CCCCCC3)C2)C1 ZINC000106473271 345930601 /nfs/dbraw/zinc/93/06/01/345930601.db2.gz WUUBIALUQMCZCL-HNNXBMFYSA-N 2 2 250.430 3.316 20 0 CGADLP C1CCC([N@H+]2CC[C@H]([NH2+]C3CCCCCC3)C2)C1 ZINC000106473271 345930604 /nfs/dbraw/zinc/93/06/04/345930604.db2.gz WUUBIALUQMCZCL-HNNXBMFYSA-N 2 2 250.430 3.316 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC000127491562 187311197 /nfs/dbraw/zinc/31/11/97/187311197.db2.gz SPUMQWDGTPKWLT-XEBKBJJBSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC000127491562 187311199 /nfs/dbraw/zinc/31/11/99/187311199.db2.gz SPUMQWDGTPKWLT-XEBKBJJBSA-N 2 2 276.399 3.144 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC[C@H]1CCC[NH2+]C1 ZINC000110792885 345947230 /nfs/dbraw/zinc/94/72/30/345947230.db2.gz UDSXPOSTLLRLIK-CQSZACIVSA-N 2 2 269.392 3.345 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000177849219 232377264 /nfs/dbraw/zinc/37/72/64/232377264.db2.gz QNWOAMWQTLXFDD-DLBZAZTESA-N 2 2 284.488 3.292 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(Br)c1 ZINC000164127369 346182476 /nfs/dbraw/zinc/18/24/76/346182476.db2.gz XTQSHFUXVJCRHS-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(Br)c1 ZINC000164127369 346182479 /nfs/dbraw/zinc/18/24/79/346182479.db2.gz XTQSHFUXVJCRHS-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000235070390 346333274 /nfs/dbraw/zinc/33/32/74/346333274.db2.gz PQKUVGTUUABYGA-LBPRGKRZSA-N 2 2 254.805 3.078 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000228220447 346313705 /nfs/dbraw/zinc/31/37/05/346313705.db2.gz BOPWPVWBLGHNGB-CABCVRRESA-N 2 2 267.376 3.274 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000228220447 346313708 /nfs/dbraw/zinc/31/37/08/346313708.db2.gz BOPWPVWBLGHNGB-CABCVRRESA-N 2 2 267.376 3.274 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000389451285 346572522 /nfs/dbraw/zinc/57/25/22/346572522.db2.gz QGMRFDJBICKLLA-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000389451285 346572524 /nfs/dbraw/zinc/57/25/24/346572524.db2.gz QGMRFDJBICKLLA-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000351752205 219195152 /nfs/dbraw/zinc/19/51/52/219195152.db2.gz OHFPXPZNWDRAGM-STQMWFEESA-N 2 2 261.344 3.271 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000584713391 346709105 /nfs/dbraw/zinc/70/91/05/346709105.db2.gz YBILLCABAQDYSO-QWHCGFSZSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000584713391 346709108 /nfs/dbraw/zinc/70/91/08/346709108.db2.gz YBILLCABAQDYSO-QWHCGFSZSA-N 2 2 278.362 3.326 20 0 CGADLP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C(C)C)cc1 ZINC000119118235 370647197 /nfs/dbraw/zinc/64/71/97/370647197.db2.gz RPSYQYLUPXXADU-KRWDZBQOSA-N 2 2 271.408 3.432 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccsc1C)CCC2 ZINC000339288876 215069173 /nfs/dbraw/zinc/06/91/73/215069173.db2.gz YYNOWHZOQBHBCV-CQSZACIVSA-N 2 2 275.421 3.229 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063592 347712873 /nfs/dbraw/zinc/71/28/73/347712873.db2.gz DLGKOBOCGNBZCQ-UKRRQHHQSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599063592 347712878 /nfs/dbraw/zinc/71/28/78/347712878.db2.gz DLGKOBOCGNBZCQ-UKRRQHHQSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000357802894 233009210 /nfs/dbraw/zinc/00/92/10/233009210.db2.gz ZABBTIZEHGMUAH-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804219 233009706 /nfs/dbraw/zinc/00/97/06/233009706.db2.gz XLJCZWCOKNGXHM-UGSOOPFHSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804219 233009710 /nfs/dbraw/zinc/00/97/10/233009710.db2.gz XLJCZWCOKNGXHM-UGSOOPFHSA-N 2 2 270.420 3.136 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000128881757 187396351 /nfs/dbraw/zinc/39/63/51/187396351.db2.gz ZBYWDPWORQBDKP-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCSCC1 ZINC000624188304 349996322 /nfs/dbraw/zinc/99/63/22/349996322.db2.gz CECIEYLIIMSGEY-XJKSGUPXSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCSCC1 ZINC000624188304 349996323 /nfs/dbraw/zinc/99/63/23/349996323.db2.gz CECIEYLIIMSGEY-XJKSGUPXSA-N 2 2 282.497 3.125 20 0 CGADLP CCN(CCC[NH+](C)C)c1[nH+]ccc2ccccc21 ZINC000624150463 349989671 /nfs/dbraw/zinc/98/96/71/349989671.db2.gz JJHCKADNGFIHEM-UHFFFAOYSA-N 2 2 257.381 3.013 20 0 CGADLP C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358257475 233092280 /nfs/dbraw/zinc/09/22/80/233092280.db2.gz UNMAUFJAHHUXKO-RVKKMQEKSA-N 2 2 299.418 3.481 20 0 CGADLP CCN(C)c1ccc(CNc2ccc(C3CCC3)c[nH+]2)c[nH+]1 ZINC000339561766 215241897 /nfs/dbraw/zinc/24/18/97/215241897.db2.gz HWCOVQFOQQSANI-UHFFFAOYSA-N 2 2 296.418 3.234 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@@H+]1C ZINC000624344934 350030827 /nfs/dbraw/zinc/03/08/27/350030827.db2.gz URIADLZJOWMSMP-OLZOCXBDSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000624344934 350030829 /nfs/dbraw/zinc/03/08/29/350030829.db2.gz URIADLZJOWMSMP-OLZOCXBDSA-N 2 2 294.389 3.416 20 0 CGADLP Clc1ccc(Cl)c(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434717 350171211 /nfs/dbraw/zinc/17/12/11/350171211.db2.gz GABCZLMXZBGJLI-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP Clc1ccc(Cl)c(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434717 350171214 /nfs/dbraw/zinc/17/12/14/350171214.db2.gz GABCZLMXZBGJLI-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000271301247 191059710 /nfs/dbraw/zinc/05/97/10/191059710.db2.gz UQXBQCLNZQXGFQ-ZFWWWQNUSA-N 2 2 287.407 3.018 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000271301246 191060713 /nfs/dbraw/zinc/06/07/13/191060713.db2.gz UQXBQCLNZQXGFQ-UKRRQHHQSA-N 2 2 287.407 3.018 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628230445 350451982 /nfs/dbraw/zinc/45/19/82/350451982.db2.gz GUFKMQWSLWOAFL-AWEZNQCLSA-N 2 2 291.439 3.010 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628230445 350451984 /nfs/dbraw/zinc/45/19/84/350451984.db2.gz GUFKMQWSLWOAFL-AWEZNQCLSA-N 2 2 291.439 3.010 20 0 CGADLP C[C@]1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCS1 ZINC000628209385 350440666 /nfs/dbraw/zinc/44/06/66/350440666.db2.gz BEJDFCHQZAAJRV-MRXNPFEDSA-N 2 2 289.448 3.371 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000628214020 350443042 /nfs/dbraw/zinc/44/30/42/350443042.db2.gz HXFMPQAGQUODCG-QAPCUYQASA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000628214020 350443051 /nfs/dbraw/zinc/44/30/51/350443051.db2.gz HXFMPQAGQUODCG-QAPCUYQASA-N 2 2 272.436 3.172 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000628280586 350476371 /nfs/dbraw/zinc/47/63/71/350476371.db2.gz WSVMMDIRLKGCAZ-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000628280586 350476375 /nfs/dbraw/zinc/47/63/75/350476375.db2.gz WSVMMDIRLKGCAZ-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000629528330 350703130 /nfs/dbraw/zinc/70/31/30/350703130.db2.gz WJJCLIIQWDPICC-AFAVFJNCSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C[NH2+]1 ZINC000629535145 350704732 /nfs/dbraw/zinc/70/47/32/350704732.db2.gz CCRGSMOSVGZANX-VWPFQQQWSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1nccc2ccccc21 ZINC000629536509 350706086 /nfs/dbraw/zinc/70/60/86/350706086.db2.gz FNAMWFFXPIOAEU-NFAWXSAZSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)C[NH2+]1 ZINC000629540643 350707484 /nfs/dbraw/zinc/70/74/84/350707484.db2.gz RRRZOTGGAVJTBC-BZPMIXESSA-N 2 2 262.397 3.023 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C[NH2+]1 ZINC000629541022 350707510 /nfs/dbraw/zinc/70/75/10/350707510.db2.gz UOIOLRGYFWESID-OSAQELSMSA-N 2 2 294.826 3.284 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548847 350711409 /nfs/dbraw/zinc/71/14/09/350711409.db2.gz RNFJGNPMDVXJFJ-MBNYWOFBSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584936 350714692 /nfs/dbraw/zinc/71/46/92/350714692.db2.gz GRTSSZBYGYBZAM-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584936 350714696 /nfs/dbraw/zinc/71/46/96/350714696.db2.gz GRTSSZBYGYBZAM-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000629389281 350686504 /nfs/dbraw/zinc/68/65/04/350686504.db2.gz UNNMRCAECVLHBD-JKSUJKDBSA-N 2 2 272.392 3.280 20 0 CGADLP C[NH2+]c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000629389340 350687839 /nfs/dbraw/zinc/68/78/39/350687839.db2.gz JVRUPWINOUEMHP-UHFFFAOYSA-N 2 2 259.397 3.015 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629407384 350689401 /nfs/dbraw/zinc/68/94/01/350689401.db2.gz ZRUXTGLSFJPKGE-WMLDXEAASA-N 2 2 276.424 3.096 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C[NH2+]1 ZINC000629414422 350690936 /nfs/dbraw/zinc/69/09/36/350690936.db2.gz ONDQHHSVOGEEGK-DGCLKSJQSA-N 2 2 289.810 3.118 20 0 CGADLP [NH3+][C@@H]1CCc2c1cccc2-c1ccc(N2CCCC2)[nH+]c1 ZINC000629710327 350749731 /nfs/dbraw/zinc/74/97/31/350749731.db2.gz QKEJJKYABSDXQD-QGZVFWFLSA-N 2 2 279.387 3.295 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCCC34CC4)c[nH+]c12 ZINC000631190727 350984894 /nfs/dbraw/zinc/98/48/94/350984894.db2.gz BCWONEFNILTOAG-AWEZNQCLSA-N 2 2 255.365 3.065 20 0 CGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000631194264 350986484 /nfs/dbraw/zinc/98/64/84/350986484.db2.gz KIPQJTDRPIQATQ-QGZVFWFLSA-N 2 2 287.382 3.383 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCN(c3cc4ccccc4c[nH+]3)C2)C1 ZINC000631282141 351014237 /nfs/dbraw/zinc/01/42/37/351014237.db2.gz URTVQAYSZSJHNY-SFHVURJKSA-N 2 2 281.403 3.157 20 0 CGADLP C[N@H+]1CCC[C@]2(CCN(c3cc4ccccc4c[nH+]3)C2)C1 ZINC000631282141 351014238 /nfs/dbraw/zinc/01/42/38/351014238.db2.gz URTVQAYSZSJHNY-SFHVURJKSA-N 2 2 281.403 3.157 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000631565313 351068975 /nfs/dbraw/zinc/06/89/75/351068975.db2.gz DXHYVFJTVQCSKC-HUUCEWRRSA-N 2 2 296.418 3.364 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000631622191 351093685 /nfs/dbraw/zinc/09/36/85/351093685.db2.gz NLMJVKMWQULRSE-QAPCUYQASA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000631622191 351093688 /nfs/dbraw/zinc/09/36/88/351093688.db2.gz NLMJVKMWQULRSE-QAPCUYQASA-N 2 2 285.435 3.066 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887277 351152131 /nfs/dbraw/zinc/15/21/31/351152131.db2.gz QCENPBSKWVUVEY-DOMZBBRYSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887277 351152137 /nfs/dbraw/zinc/15/21/37/351152137.db2.gz QCENPBSKWVUVEY-DOMZBBRYSA-N 2 2 298.352 3.279 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000361497191 233652899 /nfs/dbraw/zinc/65/28/99/233652899.db2.gz ONWJUWQDJZENAL-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352240130 219379668 /nfs/dbraw/zinc/37/96/68/219379668.db2.gz DHPSKUFVYFRQLK-KQIUPUNMSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352240130 219379669 /nfs/dbraw/zinc/37/96/69/219379669.db2.gz DHPSKUFVYFRQLK-KQIUPUNMSA-N 2 2 280.362 3.052 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000634732788 351578512 /nfs/dbraw/zinc/57/85/12/351578512.db2.gz OWFGCIBPEZXBOK-OAHLLOKOSA-N 2 2 299.418 3.209 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)s1 ZINC000634997134 351620780 /nfs/dbraw/zinc/62/07/80/351620780.db2.gz DQKRIVKCJQTZQS-CYBMUJFWSA-N 2 2 281.469 3.045 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)s1 ZINC000634997134 351620785 /nfs/dbraw/zinc/62/07/85/351620785.db2.gz DQKRIVKCJQTZQS-CYBMUJFWSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1F ZINC000635009445 351627080 /nfs/dbraw/zinc/62/70/80/351627080.db2.gz NGCPTRWJVCLYPR-WBMJQRKESA-N 2 2 290.357 3.013 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336497329 213371409 /nfs/dbraw/zinc/37/14/09/213371409.db2.gz SOEKMEBUVLQSIE-HZPDHXFCSA-N 2 2 283.419 3.474 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000271446650 191143210 /nfs/dbraw/zinc/14/32/10/191143210.db2.gz HKJVSZDNZSYGFV-LBPRGKRZSA-N 2 2 281.831 3.258 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123244282 187080296 /nfs/dbraw/zinc/08/02/96/187080296.db2.gz UTASROUUZJPNIB-IAGOWNOFSA-N 2 2 284.403 3.458 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123244282 187080297 /nfs/dbraw/zinc/08/02/97/187080297.db2.gz UTASROUUZJPNIB-IAGOWNOFSA-N 2 2 284.403 3.458 20 0 CGADLP CC[C@H](C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271532041 191196503 /nfs/dbraw/zinc/19/65/03/191196503.db2.gz CCGIJGBOOPCWOA-AWEZNQCLSA-N 2 2 257.381 3.067 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC000365404521 234100891 /nfs/dbraw/zinc/10/08/91/234100891.db2.gz QJVRZVZGRNUZRN-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC000365404521 234100895 /nfs/dbraw/zinc/10/08/95/234100895.db2.gz QJVRZVZGRNUZRN-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439128 234215445 /nfs/dbraw/zinc/21/54/45/234215445.db2.gz ROUQAGSCQRGBHH-LLVKDONJSA-N 2 2 291.420 3.140 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000368023591 234269829 /nfs/dbraw/zinc/26/98/29/234269829.db2.gz RQJPXYIRHBOBSH-INIZCTEOSA-N 2 2 270.376 3.405 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000368023591 234269833 /nfs/dbraw/zinc/26/98/33/234269833.db2.gz RQJPXYIRHBOBSH-INIZCTEOSA-N 2 2 270.376 3.405 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152344994 188011547 /nfs/dbraw/zinc/01/15/47/188011547.db2.gz FRWRUPARPZZYJI-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152344994 188011548 /nfs/dbraw/zinc/01/15/48/188011548.db2.gz FRWRUPARPZZYJI-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152344994 188011550 /nfs/dbraw/zinc/01/15/50/188011550.db2.gz FRWRUPARPZZYJI-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152344994 188011551 /nfs/dbraw/zinc/01/15/51/188011551.db2.gz FRWRUPARPZZYJI-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2ccc([NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000153440337 188082747 /nfs/dbraw/zinc/08/27/47/188082747.db2.gz LETLPLBUBOZDNL-GDBMZVCRSA-N 2 2 275.440 3.203 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2ccc([NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000153440337 188082749 /nfs/dbraw/zinc/08/27/49/188082749.db2.gz LETLPLBUBOZDNL-GDBMZVCRSA-N 2 2 275.440 3.203 20 0 CGADLP c1cc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2o1 ZINC000368584278 234322399 /nfs/dbraw/zinc/32/23/99/234322399.db2.gz WANRLFFPLNBRGQ-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621137 188154597 /nfs/dbraw/zinc/15/45/97/188154597.db2.gz ZVBXCAYNHJNEBA-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621137 188154599 /nfs/dbraw/zinc/15/45/99/188154599.db2.gz ZVBXCAYNHJNEBA-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000156715719 188278576 /nfs/dbraw/zinc/27/85/76/188278576.db2.gz RDLWQVNJSHVHBP-CQSZACIVSA-N 2 2 287.407 3.411 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000174075439 188880957 /nfs/dbraw/zinc/88/09/57/188880957.db2.gz BQQOQRJENQUWCR-HZPDHXFCSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000174075439 188880958 /nfs/dbraw/zinc/88/09/58/188880958.db2.gz BQQOQRJENQUWCR-HZPDHXFCSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000420381191 235745220 /nfs/dbraw/zinc/74/52/20/235745220.db2.gz YZOADQVCZRFQOX-OXJKWZBOSA-N 2 2 266.816 3.377 20 0 CGADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000091261922 138343701 /nfs/dbraw/zinc/34/37/01/138343701.db2.gz JZCJRYKQPCWXPU-QGZVFWFLSA-N 2 2 287.407 3.269 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C[N@@H+]1C1CC1 ZINC000132639529 297286332 /nfs/dbraw/zinc/28/63/32/297286332.db2.gz LXMBAYPFMJVPPE-UMVBOHGHSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C[N@H+]1C1CC1 ZINC000132639529 297286334 /nfs/dbraw/zinc/28/63/34/297286334.db2.gz LXMBAYPFMJVPPE-UMVBOHGHSA-N 2 2 250.430 3.170 20 0 CGADLP Cn1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000124539251 138375863 /nfs/dbraw/zinc/37/58/63/138375863.db2.gz PMKRPYAPTJYJEN-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP Cn1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000124539251 138375865 /nfs/dbraw/zinc/37/58/65/138375865.db2.gz PMKRPYAPTJYJEN-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1F ZINC000130146595 138398948 /nfs/dbraw/zinc/39/89/48/138398948.db2.gz KOZKZVYKIORYSU-IACUBPJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1F ZINC000130146595 138398950 /nfs/dbraw/zinc/39/89/50/138398950.db2.gz KOZKZVYKIORYSU-IACUBPJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000173311625 138419378 /nfs/dbraw/zinc/41/93/78/138419378.db2.gz FYCUNNBDWPEZGW-AWEZNQCLSA-N 2 2 265.360 3.228 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423197091 235992514 /nfs/dbraw/zinc/99/25/14/235992514.db2.gz XRLZDOZHXQJDCG-KSSFIOAISA-N 2 2 281.403 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423231280 236003162 /nfs/dbraw/zinc/00/31/62/236003162.db2.gz ASBCXKMDZBOKKO-MEDUHNTESA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000423235854 236005322 /nfs/dbraw/zinc/00/53/22/236005322.db2.gz NJCBYTOUAZURDC-GHMZBOCLSA-N 2 2 272.314 3.108 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc21 ZINC000423282281 236022232 /nfs/dbraw/zinc/02/22/32/236022232.db2.gz VSFCGXKJAUGDKF-WCQYABFASA-N 2 2 276.380 3.075 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423273156 236017159 /nfs/dbraw/zinc/01/71/59/236017159.db2.gz IPTXZVOIDKDTRA-CQSZACIVSA-N 2 2 264.413 3.113 20 0 CGADLP COC[C@@]1(C[NH2+][C@@H](CCC(C)C)c2ccoc2)CCC[NH2+]1 ZINC000423415710 236067424 /nfs/dbraw/zinc/06/74/24/236067424.db2.gz PGKACQMZRTYZQH-IRXDYDNUSA-N 2 2 294.439 3.115 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCC12CCCC2 ZINC000423420316 236068728 /nfs/dbraw/zinc/06/87/28/236068728.db2.gz JHKBLBYZIUBKQD-SJORKVTESA-N 2 2 270.420 3.186 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000423448156 236073449 /nfs/dbraw/zinc/07/34/49/236073449.db2.gz PVVGSMHXCAEBGD-IIDMSEBBSA-N 2 2 268.404 3.410 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000424311039 236145521 /nfs/dbraw/zinc/14/55/21/236145521.db2.gz KGDFEFZNEDXNLF-AGIUHOORSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000424311039 236145523 /nfs/dbraw/zinc/14/55/23/236145523.db2.gz KGDFEFZNEDXNLF-AGIUHOORSA-N 2 2 296.842 3.482 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956110 236275822 /nfs/dbraw/zinc/27/58/22/236275822.db2.gz BUAAMVQLSRUSAI-SJKOYZFVSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956110 236275823 /nfs/dbraw/zinc/27/58/23/236275823.db2.gz BUAAMVQLSRUSAI-SJKOYZFVSA-N 2 2 276.399 3.133 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000427896380 236353286 /nfs/dbraw/zinc/35/32/86/236353286.db2.gz VJHKEOJHBMMLKX-ULQDDVLXSA-N 2 2 281.403 3.124 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427897444 236353446 /nfs/dbraw/zinc/35/34/46/236353446.db2.gz XYPYZUVXDGGHGR-WBVHZDCISA-N 2 2 295.430 3.482 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)[nH]1 ZINC000294873138 199224932 /nfs/dbraw/zinc/22/49/32/199224932.db2.gz FGNMJTCQGMBRJO-OAHLLOKOSA-N 2 2 297.402 3.331 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)[nH]1 ZINC000294873138 199224933 /nfs/dbraw/zinc/22/49/33/199224933.db2.gz FGNMJTCQGMBRJO-OAHLLOKOSA-N 2 2 297.402 3.331 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341546621 216008675 /nfs/dbraw/zinc/00/86/75/216008675.db2.gz QVWBFRDZZXANDY-HIFPTAJRSA-N 2 2 289.345 3.230 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000437107818 237251345 /nfs/dbraw/zinc/25/13/45/237251345.db2.gz CFPTVMQQSFWYHE-SJORKVTESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017702 189021091 /nfs/dbraw/zinc/02/10/91/189021091.db2.gz QPLUBTAXGZKZOA-GDBMZVCRSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017702 189021092 /nfs/dbraw/zinc/02/10/92/189021092.db2.gz QPLUBTAXGZKZOA-GDBMZVCRSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H](C1CC1)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177022109 189021382 /nfs/dbraw/zinc/02/13/82/189021382.db2.gz GHVXPWLBPBQUOQ-CYBMUJFWSA-N 2 2 282.391 3.030 20 0 CGADLP C[C@H](C1CC1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177022109 189021383 /nfs/dbraw/zinc/02/13/83/189021383.db2.gz GHVXPWLBPBQUOQ-CYBMUJFWSA-N 2 2 282.391 3.030 20 0 CGADLP C[N@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177351681 189045070 /nfs/dbraw/zinc/04/50/70/189045070.db2.gz OXNLMSHVGFSSTI-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP C[N@@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177351681 189045071 /nfs/dbraw/zinc/04/50/71/189045071.db2.gz OXNLMSHVGFSSTI-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP COCCC[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000178228604 189099608 /nfs/dbraw/zinc/09/96/08/189099608.db2.gz CYBHOGKTXBHVTQ-AWEZNQCLSA-N 2 2 289.423 3.140 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)Cn1cc[nH+]c1 ZINC000179075723 189166928 /nfs/dbraw/zinc/16/69/28/189166928.db2.gz XFDHGSNYCQFZGJ-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179568778 189202772 /nfs/dbraw/zinc/20/27/72/189202772.db2.gz YAWJYFZSIVFXLO-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179568778 189202773 /nfs/dbraw/zinc/20/27/73/189202773.db2.gz YAWJYFZSIVFXLO-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP C[C@@H](C1CC1)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179731100 189216914 /nfs/dbraw/zinc/21/69/14/189216914.db2.gz BRRCOZKGCPEXBZ-LBPRGKRZSA-N 2 2 255.365 3.097 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179731100 189216915 /nfs/dbraw/zinc/21/69/15/189216915.db2.gz BRRCOZKGCPEXBZ-LBPRGKRZSA-N 2 2 255.365 3.097 20 0 CGADLP COc1ccc([C@H](C)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000179902812 189227031 /nfs/dbraw/zinc/22/70/31/189227031.db2.gz GJYRBYNTVFHTAM-OAHLLOKOSA-N 2 2 299.418 3.332 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660010 189268561 /nfs/dbraw/zinc/26/85/61/189268561.db2.gz PUHOEXZGHZYRPZ-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000301567401 201073216 /nfs/dbraw/zinc/07/32/16/201073216.db2.gz MPAJMVIOCJFYMP-ZDUSSCGKSA-N 2 2 293.374 3.452 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000301632892 201105015 /nfs/dbraw/zinc/10/50/15/201105015.db2.gz JUFDZMDASQSIPK-HNNXBMFYSA-N 2 2 281.403 3.249 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000301632892 201105018 /nfs/dbraw/zinc/10/50/18/201105018.db2.gz JUFDZMDASQSIPK-HNNXBMFYSA-N 2 2 281.403 3.249 20 0 CGADLP C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000301634096 201107108 /nfs/dbraw/zinc/10/71/08/201107108.db2.gz KIBWOKPOUXEOFU-SNVBAGLBSA-N 2 2 289.345 3.489 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610718 201095797 /nfs/dbraw/zinc/09/57/97/201095797.db2.gz CURBJKDKNVIIEI-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610718 201095801 /nfs/dbraw/zinc/09/58/01/201095801.db2.gz CURBJKDKNVIIEI-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180212 189349062 /nfs/dbraw/zinc/34/90/62/189349062.db2.gz OIYGSVRVTIUQKH-DLBZAZTESA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180212 189349063 /nfs/dbraw/zinc/34/90/63/189349063.db2.gz OIYGSVRVTIUQKH-DLBZAZTESA-N 2 2 283.419 3.460 20 0 CGADLP c1cn(CCC[N@@H+]2CCSC[C@@H]2c2ccccc2)c[nH+]1 ZINC000183179342 189349196 /nfs/dbraw/zinc/34/91/96/189349196.db2.gz OJYITZBHRMGGAO-MRXNPFEDSA-N 2 2 287.432 3.063 20 0 CGADLP c1cn(CCC[N@H+]2CCSC[C@@H]2c2ccccc2)c[nH+]1 ZINC000183179342 189349197 /nfs/dbraw/zinc/34/91/97/189349197.db2.gz OJYITZBHRMGGAO-MRXNPFEDSA-N 2 2 287.432 3.063 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(F)c1F ZINC000183204912 189349852 /nfs/dbraw/zinc/34/98/52/189349852.db2.gz KSFOMHIRHFMSRL-LLVKDONJSA-N 2 2 270.367 3.203 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000449246645 239268467 /nfs/dbraw/zinc/26/84/67/239268467.db2.gz DNXZRCGDOGJIIL-HZPDHXFCSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000449246645 239268469 /nfs/dbraw/zinc/26/84/69/239268469.db2.gz DNXZRCGDOGJIIL-HZPDHXFCSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000120394595 370763673 /nfs/dbraw/zinc/76/36/73/370763673.db2.gz GVDXQOZQPZXRIY-QBIMZIAESA-N 2 2 270.420 3.353 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000120394595 370763678 /nfs/dbraw/zinc/76/36/78/370763678.db2.gz GVDXQOZQPZXRIY-QBIMZIAESA-N 2 2 270.420 3.353 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000450643421 240015046 /nfs/dbraw/zinc/01/50/46/240015046.db2.gz KUDDYGSDLDFKFE-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000450643421 240015051 /nfs/dbraw/zinc/01/50/51/240015051.db2.gz KUDDYGSDLDFKFE-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP Cc1[nH+]c2ccccn2c1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000451002194 240189613 /nfs/dbraw/zinc/18/96/13/240189613.db2.gz SEGMMUCLFLNUAI-CHWSQXEVSA-N 2 2 294.402 3.258 20 0 CGADLP C[C@]1(F)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111601 240219620 /nfs/dbraw/zinc/21/96/20/240219620.db2.gz GBOSBQFRXKNZOW-PIGHNIFASA-N 2 2 286.410 3.191 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451187941 240240661 /nfs/dbraw/zinc/24/06/61/240240661.db2.gz PYTRUJOCELPTMG-VKJFTORMSA-N 2 2 283.419 3.458 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000451187941 240240667 /nfs/dbraw/zinc/24/06/67/240240667.db2.gz PYTRUJOCELPTMG-VKJFTORMSA-N 2 2 283.419 3.458 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335574645 212285968 /nfs/dbraw/zinc/28/59/68/212285968.db2.gz FVHBIQMLOCKIRY-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335574645 212285970 /nfs/dbraw/zinc/28/59/70/212285970.db2.gz FVHBIQMLOCKIRY-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP c1cn(C2CC[NH+](CCCC3CCCC3)CC2)c[nH+]1 ZINC000120835542 370804576 /nfs/dbraw/zinc/80/45/76/370804576.db2.gz HAHYPMCSQPFKTP-UHFFFAOYSA-N 2 2 261.413 3.490 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000275493630 193057599 /nfs/dbraw/zinc/05/75/99/193057599.db2.gz LIGOYVYAOPVXIG-IAGOWNOFSA-N 2 2 258.409 3.008 20 0 CGADLP COc1cccc2c(NCCCn3cc[nH+]c3C)cc[nH+]c12 ZINC000275454885 193043908 /nfs/dbraw/zinc/04/39/08/193043908.db2.gz HCKRXBFMDROTAH-UHFFFAOYSA-N 2 2 296.374 3.251 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275761791 193122651 /nfs/dbraw/zinc/12/26/51/193122651.db2.gz UPNMYPPXVURDIC-BPQIPLTHSA-N 2 2 283.419 3.372 20 0 CGADLP CCC1(C)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000459642823 242159171 /nfs/dbraw/zinc/15/91/71/242159171.db2.gz ZYTYYKXJCMLNLK-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000459677788 242175063 /nfs/dbraw/zinc/17/50/63/242175063.db2.gz QHKPQBBAIRIESX-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804899 299373666 /nfs/dbraw/zinc/37/36/66/299373666.db2.gz YQGYLGRDNQFOJP-RLFYNMQTSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804899 299373670 /nfs/dbraw/zinc/37/36/70/299373670.db2.gz YQGYLGRDNQFOJP-RLFYNMQTSA-N 2 2 298.434 3.006 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000462689852 242357805 /nfs/dbraw/zinc/35/78/05/242357805.db2.gz WLNYSHFHYRKAES-QQFBHYJXSA-N 2 2 252.446 3.277 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000462689852 242357807 /nfs/dbraw/zinc/35/78/07/242357807.db2.gz WLNYSHFHYRKAES-QQFBHYJXSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000293626318 296109815 /nfs/dbraw/zinc/10/98/15/296109815.db2.gz HHXZUFAQKYWGGT-GDBMZVCRSA-N 2 2 290.451 3.273 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000479441582 243103566 /nfs/dbraw/zinc/10/35/66/243103566.db2.gz UUHXOXMZGMUYSH-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000479441582 243103570 /nfs/dbraw/zinc/10/35/70/243103570.db2.gz UUHXOXMZGMUYSH-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000480161807 243140295 /nfs/dbraw/zinc/14/02/95/243140295.db2.gz AGLWNJXKWUXQNP-XIRDDKMYSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000480161807 243140297 /nfs/dbraw/zinc/14/02/97/243140297.db2.gz AGLWNJXKWUXQNP-XIRDDKMYSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489823 212167488 /nfs/dbraw/zinc/16/74/88/212167488.db2.gz XZOAOAIXHLINNE-LBPRGKRZSA-N 2 2 264.800 3.229 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(Cl)cccc2C1 ZINC000124284257 370922831 /nfs/dbraw/zinc/92/28/31/370922831.db2.gz IJDFRBDUMQGNMK-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(Cl)cccc2C1 ZINC000124284257 370922837 /nfs/dbraw/zinc/92/28/37/370922837.db2.gz IJDFRBDUMQGNMK-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000124284257 370922842 /nfs/dbraw/zinc/92/28/42/370922842.db2.gz IJDFRBDUMQGNMK-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000124284257 370922846 /nfs/dbraw/zinc/92/28/46/370922846.db2.gz IJDFRBDUMQGNMK-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000036845753 369032758 /nfs/dbraw/zinc/03/27/58/369032758.db2.gz WSAAZPRSILMAJQ-UHFFFAOYSA-N 2 2 269.392 3.117 20 0 CGADLP CCSCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337289218 376194659 /nfs/dbraw/zinc/19/46/59/376194659.db2.gz LTQMMFAPCHOZOV-WBVHZDCISA-N 2 2 292.492 3.240 20 0 CGADLP CCSCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000337289218 376194671 /nfs/dbraw/zinc/19/46/71/376194671.db2.gz LTQMMFAPCHOZOV-WBVHZDCISA-N 2 2 292.492 3.240 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000037149844 369069358 /nfs/dbraw/zinc/06/93/58/369069358.db2.gz ZLQNMEAGJIKRBW-UHFFFAOYSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000037157016 369072192 /nfs/dbraw/zinc/07/21/92/369072192.db2.gz RUADLKMPJFXGNZ-KGLIPLIRSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1(C)CC1 ZINC000037468437 369084239 /nfs/dbraw/zinc/08/42/39/369084239.db2.gz WMAMPRJJKRRXDR-LBPRGKRZSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000037786513 369113558 /nfs/dbraw/zinc/11/35/58/369113558.db2.gz ZTNDPLSRNHPSGC-LLVKDONJSA-N 2 2 281.469 3.365 20 0 CGADLP CC(C)(C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040492791 369156961 /nfs/dbraw/zinc/15/69/61/369156961.db2.gz RSHKTPGLGZLSIN-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040492791 369156964 /nfs/dbraw/zinc/15/69/64/369156964.db2.gz RSHKTPGLGZLSIN-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000494086420 244263507 /nfs/dbraw/zinc/26/35/07/244263507.db2.gz BTOVXYRLASYBAP-CQSZACIVSA-N 2 2 295.496 3.306 20 0 CGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000494086420 244263509 /nfs/dbraw/zinc/26/35/09/244263509.db2.gz BTOVXYRLASYBAP-CQSZACIVSA-N 2 2 295.496 3.306 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685366 369266836 /nfs/dbraw/zinc/26/68/36/369266836.db2.gz ITYHDQAAOOUHNJ-DGCLKSJQSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685366 369266839 /nfs/dbraw/zinc/26/68/39/369266839.db2.gz ITYHDQAAOOUHNJ-DGCLKSJQSA-N 2 2 296.361 3.175 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000494697908 244311292 /nfs/dbraw/zinc/31/12/92/244311292.db2.gz SEDRQIRTJCVLJU-BXWFABGCSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000494697908 244311296 /nfs/dbraw/zinc/31/12/96/244311296.db2.gz SEDRQIRTJCVLJU-BXWFABGCSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000494920508 244331656 /nfs/dbraw/zinc/33/16/56/244331656.db2.gz DRUGRIWDUQYLPH-VYDXJSESSA-N 2 2 283.419 3.108 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000053201744 369480929 /nfs/dbraw/zinc/48/09/29/369480929.db2.gz LQWYNGRDOZHXLT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000053201744 369480930 /nfs/dbraw/zinc/48/09/30/369480930.db2.gz LQWYNGRDOZHXLT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000068690693 369747019 /nfs/dbraw/zinc/74/70/19/369747019.db2.gz VKHSWVRJMKMCDS-LBPRGKRZSA-N 2 2 286.404 3.234 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC000072858571 369841003 /nfs/dbraw/zinc/84/10/03/369841003.db2.gz LRGXTUMDSREVPV-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC000072858571 369841007 /nfs/dbraw/zinc/84/10/07/369841007.db2.gz LRGXTUMDSREVPV-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072858571 369841011 /nfs/dbraw/zinc/84/10/11/369841011.db2.gz LRGXTUMDSREVPV-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000072858571 369841015 /nfs/dbraw/zinc/84/10/15/369841015.db2.gz LRGXTUMDSREVPV-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000070284915 369794145 /nfs/dbraw/zinc/79/41/45/369794145.db2.gz QDQGKFAKXRRHPM-KRWDZBQOSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000070284915 369794149 /nfs/dbraw/zinc/79/41/49/369794149.db2.gz QDQGKFAKXRRHPM-KRWDZBQOSA-N 2 2 290.476 3.136 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000537747079 376199422 /nfs/dbraw/zinc/19/94/22/376199422.db2.gz AFWAJWSQGZRJKK-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000537747079 376199428 /nfs/dbraw/zinc/19/94/28/376199428.db2.gz AFWAJWSQGZRJKK-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093645150 370153109 /nfs/dbraw/zinc/15/31/09/370153109.db2.gz NGLMPMKJZWEQLF-IRXDYDNUSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093645150 370153115 /nfs/dbraw/zinc/15/31/15/370153115.db2.gz NGLMPMKJZWEQLF-IRXDYDNUSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093645150 370153121 /nfs/dbraw/zinc/15/31/21/370153121.db2.gz NGLMPMKJZWEQLF-IRXDYDNUSA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093645150 370153127 /nfs/dbraw/zinc/15/31/27/370153127.db2.gz NGLMPMKJZWEQLF-IRXDYDNUSA-N 2 2 291.483 3.449 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000129608910 370994803 /nfs/dbraw/zinc/99/48/03/370994803.db2.gz RZLDIZAENGXBST-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000129608910 370994810 /nfs/dbraw/zinc/99/48/10/370994810.db2.gz RZLDIZAENGXBST-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161580 371015272 /nfs/dbraw/zinc/01/52/72/371015272.db2.gz AFRSEUPLKNTLIB-FPMFFAJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161580 371015277 /nfs/dbraw/zinc/01/52/77/371015277.db2.gz AFRSEUPLKNTLIB-FPMFFAJLSA-N 2 2 280.362 3.242 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130543375 371041143 /nfs/dbraw/zinc/04/11/43/371041143.db2.gz SYBSOHOGPHRWMG-GDBMZVCRSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130543375 371041146 /nfs/dbraw/zinc/04/11/46/371041146.db2.gz SYBSOHOGPHRWMG-GDBMZVCRSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000130742810 371055562 /nfs/dbraw/zinc/05/55/62/371055562.db2.gz YSNZCLZMWBEHAA-KDOFPFPSSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000130742810 371055566 /nfs/dbraw/zinc/05/55/66/371055566.db2.gz YSNZCLZMWBEHAA-KDOFPFPSSA-N 2 2 272.436 3.080 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000131898531 371137669 /nfs/dbraw/zinc/13/76/69/371137669.db2.gz WKVIYEPIRMOQRG-HZPDHXFCSA-N 2 2 256.324 3.060 20 0 CGADLP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131673097 371121980 /nfs/dbraw/zinc/12/19/80/371121980.db2.gz RANPAYVXROPKEP-SFHVURJKSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131673097 371121983 /nfs/dbraw/zinc/12/19/83/371121983.db2.gz RANPAYVXROPKEP-SFHVURJKSA-N 2 2 298.386 3.134 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](CC3CCCCC3)C2)cc[nH+]1 ZINC000131760177 371128052 /nfs/dbraw/zinc/12/80/52/371128052.db2.gz FQRPXGNZJOMWGC-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](CC3CCCCC3)C2)cc[nH+]1 ZINC000131760177 371128056 /nfs/dbraw/zinc/12/80/56/371128056.db2.gz FQRPXGNZJOMWGC-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235188789 189825872 /nfs/dbraw/zinc/82/58/72/189825872.db2.gz MNOMRGGRYROSLF-MFKMUULPSA-N 2 2 272.314 3.108 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000133643831 371268701 /nfs/dbraw/zinc/26/87/01/371268701.db2.gz PCUZAGHYQHKCPO-JQHSSLGASA-N 2 2 290.451 3.130 20 0 CGADLP c1cn(CCC[N@@H+]2CCCn3c(cc4ccccc43)C2)c[nH+]1 ZINC000286818315 371556731 /nfs/dbraw/zinc/55/67/31/371556731.db2.gz ASXJCQVFHMUPHN-UHFFFAOYSA-N 2 2 294.402 3.134 20 0 CGADLP c1cn(CCC[N@H+]2CCCn3c(cc4ccccc43)C2)c[nH+]1 ZINC000286818315 371556738 /nfs/dbraw/zinc/55/67/38/371556738.db2.gz ASXJCQVFHMUPHN-UHFFFAOYSA-N 2 2 294.402 3.134 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)s1 ZINC000020128899 541855293 /nfs/dbraw/zinc/85/52/93/541855293.db2.gz FFRMIOLCQUIVPK-LBPRGKRZSA-N 2 2 281.469 3.287 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncc1Cl ZINC000421818555 371639962 /nfs/dbraw/zinc/63/99/62/371639962.db2.gz BLDRDDFCLILKAW-CYBMUJFWSA-N 2 2 281.831 3.262 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccncc1Cl)C[NH+]1CCCC1 ZINC000421822629 371644320 /nfs/dbraw/zinc/64/43/20/371644320.db2.gz XMVITMCDICNIFK-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421857274 371679211 /nfs/dbraw/zinc/67/92/11/371679211.db2.gz OYAOWTIKNOGTTA-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421857274 371679219 /nfs/dbraw/zinc/67/92/19/371679219.db2.gz OYAOWTIKNOGTTA-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000287391852 371649214 /nfs/dbraw/zinc/64/92/14/371649214.db2.gz QFGGFMJHHJASNY-PBHICJAKSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000287391852 371649218 /nfs/dbraw/zinc/64/92/18/371649218.db2.gz QFGGFMJHHJASNY-PBHICJAKSA-N 2 2 290.476 3.135 20 0 CGADLP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152235151 371683942 /nfs/dbraw/zinc/68/39/42/371683942.db2.gz LOARYFOUTLFACS-RDJZCZTQSA-N 2 2 275.440 3.072 20 0 CGADLP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152235151 371683948 /nfs/dbraw/zinc/68/39/48/371683948.db2.gz LOARYFOUTLFACS-RDJZCZTQSA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000337348628 214023550 /nfs/dbraw/zinc/02/35/50/214023550.db2.gz ZFTVRSXUYGDWDP-NUJGCVRESA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000337348628 214023553 /nfs/dbraw/zinc/02/35/53/214023553.db2.gz ZFTVRSXUYGDWDP-NUJGCVRESA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000422697804 371756779 /nfs/dbraw/zinc/75/67/79/371756779.db2.gz WHLMFIFCFSKSDC-KDOFPFPSSA-N 2 2 266.388 3.366 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000422764437 371792258 /nfs/dbraw/zinc/79/22/58/371792258.db2.gz POLXSMNPUZFFDO-IUCAKERBSA-N 2 2 273.207 3.252 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000422754196 371784415 /nfs/dbraw/zinc/78/44/15/371784415.db2.gz GRUUHVRIVBGYFG-CABCVRRESA-N 3 2 286.423 3.040 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337327905 214011103 /nfs/dbraw/zinc/01/11/03/214011103.db2.gz DNHREUONFGPSOQ-WMZOPIPTSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337327905 214011104 /nfs/dbraw/zinc/01/11/04/214011104.db2.gz DNHREUONFGPSOQ-WMZOPIPTSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337327903 214011403 /nfs/dbraw/zinc/01/14/03/214011403.db2.gz DNHREUONFGPSOQ-FUHWJXTLSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337327903 214011405 /nfs/dbraw/zinc/01/14/05/214011405.db2.gz DNHREUONFGPSOQ-FUHWJXTLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC000422757694 371787673 /nfs/dbraw/zinc/78/76/73/371787673.db2.gz IUCJBJMWNOZWQF-RKDXNWHRSA-N 2 2 273.207 3.252 20 0 CGADLP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccn2)cc1 ZINC000422771228 371797491 /nfs/dbraw/zinc/79/74/91/371797491.db2.gz XFDJKZZOZWSXTM-SUTQANCOSA-N 2 2 293.414 3.044 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353339546 220035825 /nfs/dbraw/zinc/03/58/25/220035825.db2.gz TYMVQMRRLLOZLA-OLZOCXBDSA-N 2 2 288.391 3.014 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353339546 220035826 /nfs/dbraw/zinc/03/58/26/220035826.db2.gz TYMVQMRRLLOZLA-OLZOCXBDSA-N 2 2 288.391 3.014 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422798042 371816556 /nfs/dbraw/zinc/81/65/56/371816556.db2.gz PMIGSBJEIKIRQN-OLZOCXBDSA-N 2 2 284.350 3.038 20 0 CGADLP CCOC1CC(CC[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000289878073 371844598 /nfs/dbraw/zinc/84/45/98/371844598.db2.gz WOSBEYOQQZDYQF-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422882593 371851720 /nfs/dbraw/zinc/85/17/20/371851720.db2.gz AZNZBUZWXLDPKB-KGLIPLIRSA-N 2 2 282.815 3.098 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000422884377 371853258 /nfs/dbraw/zinc/85/32/58/371853258.db2.gz SBOGKZSNSDAWGF-JTNHKYCSSA-N 2 2 284.350 3.079 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000422890965 371858050 /nfs/dbraw/zinc/85/80/50/371858050.db2.gz JTBRHPAVSXAHII-RYUDHWBXSA-N 2 2 267.442 3.016 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621505 371862932 /nfs/dbraw/zinc/86/29/32/371862932.db2.gz LZBZKXLXJXPNDP-DZGCQCFKSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621505 371862939 /nfs/dbraw/zinc/86/29/39/371862939.db2.gz LZBZKXLXJXPNDP-DZGCQCFKSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1c[nH+]ccc1N ZINC000422947558 371886024 /nfs/dbraw/zinc/88/60/24/371886024.db2.gz YKIDAEKFARUFPD-MRVPVSSYSA-N 2 2 267.785 3.060 20 0 CGADLP C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCCC[NH2+]1 ZINC000422921686 371872294 /nfs/dbraw/zinc/87/22/94/371872294.db2.gz OTHYDXORFIXYDT-BBRMVZONSA-N 2 2 272.392 3.096 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422932075 371877466 /nfs/dbraw/zinc/87/74/66/371877466.db2.gz YRIUGTOUKSKIKF-KBPBESRZSA-N 2 2 252.789 3.133 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422932077 371877834 /nfs/dbraw/zinc/87/78/34/371877834.db2.gz YRIUGTOUKSKIKF-UONOGXRCSA-N 2 2 252.789 3.133 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2ccncc2)[nH+]1 ZINC000289875085 371841803 /nfs/dbraw/zinc/84/18/03/371841803.db2.gz ROXYXCSFPISEDA-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2ccncc2)[nH+]1 ZINC000289875085 371841807 /nfs/dbraw/zinc/84/18/07/371841807.db2.gz ROXYXCSFPISEDA-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423052556 371935836 /nfs/dbraw/zinc/93/58/36/371935836.db2.gz QRWMDKFGNPSDMN-KXBFYZLASA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCSC1 ZINC000290215865 371937071 /nfs/dbraw/zinc/93/70/71/371937071.db2.gz RBLQOKUKTUMKBY-CQSZACIVSA-N 2 2 264.438 3.055 20 0 CGADLP C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422949789 371888579 /nfs/dbraw/zinc/88/85/79/371888579.db2.gz WJZRIBJIEBSFBC-BXUZGUMPSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1c[nH+]ccc1N ZINC000422952257 371889258 /nfs/dbraw/zinc/88/92/58/371889258.db2.gz BZJQPDAAZIGZAY-ZDUSSCGKSA-N 2 2 297.406 3.053 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423066797 371943229 /nfs/dbraw/zinc/94/32/29/371943229.db2.gz XYRUOTFSFWSULY-UWIFEVILSA-N 2 2 288.435 3.267 20 0 CGADLP CCCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423017481 371918627 /nfs/dbraw/zinc/91/86/27/371918627.db2.gz OXZIZKUKPCCQGS-MSOLQXFVSA-N 2 2 298.434 3.226 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000423023094 371920169 /nfs/dbraw/zinc/92/01/69/371920169.db2.gz IXRCXHSPENLSJT-RNCFNFMXSA-N 2 2 290.304 3.017 20 0 CGADLP Cc1ccc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000423034337 371926861 /nfs/dbraw/zinc/92/68/61/371926861.db2.gz XKWWZQAFNKRKIZ-SJLPKXTDSA-N 2 2 295.386 3.058 20 0 CGADLP CCCCCn1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(C)n1 ZINC000423033986 371927021 /nfs/dbraw/zinc/92/70/21/371927021.db2.gz ZZVLENPWFKNWRW-DOTOQJQBSA-N 2 2 292.471 3.002 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[C@@H]1CCCCO1 ZINC000290203581 371933364 /nfs/dbraw/zinc/93/33/64/371933364.db2.gz DHCXOUNZFZWAHF-KRWDZBQOSA-N 2 2 276.424 3.262 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000290300052 371958136 /nfs/dbraw/zinc/95/81/36/371958136.db2.gz HVQHXAAOJSHEPR-LJQANCHMSA-N 2 2 297.446 3.215 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423122019 371976523 /nfs/dbraw/zinc/97/65/23/371976523.db2.gz BUJZPCWRUONCBD-LBPRGKRZSA-N 2 2 287.432 3.457 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000423142883 371988368 /nfs/dbraw/zinc/98/83/68/371988368.db2.gz BNSQNEOIUMRINU-UHNFBRDESA-N 2 2 280.362 3.072 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@H]1CCCC[NH2+]1 ZINC000423143900 371989212 /nfs/dbraw/zinc/98/92/12/371989212.db2.gz FKQVVBFAXZYRGC-SJKOYZFVSA-N 2 2 276.399 3.323 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192113 372016666 /nfs/dbraw/zinc/01/66/66/372016666.db2.gz PJJGBDYLOLRCDF-STQMWFEESA-N 2 2 272.392 3.398 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423189091 372017630 /nfs/dbraw/zinc/01/76/30/372017630.db2.gz MFSARDJXZZVOOK-RWMBFGLXSA-N 2 2 289.448 3.130 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290591046 372024653 /nfs/dbraw/zinc/02/46/53/372024653.db2.gz VGZPYADNSQUQAA-CEXWTWQISA-N 2 2 278.399 3.251 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423183779 372011342 /nfs/dbraw/zinc/01/13/42/372011342.db2.gz HPRXWGKBEMVFCG-OALUTQOASA-N 2 2 280.415 3.426 20 0 CGADLP CCCCC[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331275 372121792 /nfs/dbraw/zinc/12/17/92/372121792.db2.gz CHYOSTBBSSDEMP-CQSZACIVSA-N 2 2 278.444 3.031 20 0 CGADLP CCCCC[C@@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331275 372121799 /nfs/dbraw/zinc/12/17/99/372121799.db2.gz CHYOSTBBSSDEMP-CQSZACIVSA-N 2 2 278.444 3.031 20 0 CGADLP CSC1(C[NH2+]CCCCNc2cccc[nH+]2)CCC1 ZINC000290853709 372063537 /nfs/dbraw/zinc/06/35/37/372063537.db2.gz JWNIZZOYFGVLAZ-UHFFFAOYSA-N 2 2 279.453 3.149 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423451091 372065027 /nfs/dbraw/zinc/06/50/27/372065027.db2.gz UTCQGPKHSMGRFP-UTLUCORTSA-N 2 2 269.458 3.135 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1CCCC1 ZINC000423496671 372071306 /nfs/dbraw/zinc/07/13/06/372071306.db2.gz FGRHZOYOOCGYLD-CHWSQXEVSA-N 2 2 298.352 3.198 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159236523 372119626 /nfs/dbraw/zinc/11/96/26/372119626.db2.gz LAZDRBFHLYQHMG-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158998055 372097582 /nfs/dbraw/zinc/09/75/82/372097582.db2.gz WKGJKNCIAUJKEM-NVXWUHKLSA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158998055 372097590 /nfs/dbraw/zinc/09/75/90/372097590.db2.gz WKGJKNCIAUJKEM-NVXWUHKLSA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158998055 372097597 /nfs/dbraw/zinc/09/75/97/372097597.db2.gz WKGJKNCIAUJKEM-NVXWUHKLSA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158998055 372097602 /nfs/dbraw/zinc/09/76/02/372097602.db2.gz WKGJKNCIAUJKEM-NVXWUHKLSA-N 2 2 288.435 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672390 541868508 /nfs/dbraw/zinc/86/85/08/541868508.db2.gz PNAFOJOYPQXNKH-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672390 541868510 /nfs/dbraw/zinc/86/85/10/541868510.db2.gz PNAFOJOYPQXNKH-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427860952 372177188 /nfs/dbraw/zinc/17/71/88/372177188.db2.gz BDWYCNAZVXDADA-IUODEOHRSA-N 2 2 289.810 3.072 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000159315143 372130191 /nfs/dbraw/zinc/13/01/91/372130191.db2.gz HCOCLUSSTYPWFR-GFCCVEGCSA-N 2 2 296.842 3.484 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000428392048 372189145 /nfs/dbraw/zinc/18/91/45/372189145.db2.gz HZTUVMMRAAUAGI-ZFWWWQNUSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000428392048 372189153 /nfs/dbraw/zinc/18/91/53/372189153.db2.gz HZTUVMMRAAUAGI-ZFWWWQNUSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)o1 ZINC000428392048 372189158 /nfs/dbraw/zinc/18/91/58/372189158.db2.gz HZTUVMMRAAUAGI-ZFWWWQNUSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000428392048 372189167 /nfs/dbraw/zinc/18/91/67/372189167.db2.gz HZTUVMMRAAUAGI-ZFWWWQNUSA-N 2 2 293.455 3.098 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344299051 217140076 /nfs/dbraw/zinc/14/00/76/217140076.db2.gz GCPREUVHOWGUPS-CRAIPNDOSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344299051 217140078 /nfs/dbraw/zinc/14/00/78/217140078.db2.gz GCPREUVHOWGUPS-CRAIPNDOSA-N 2 2 290.451 3.294 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C(C)(C)C ZINC000162253708 372384053 /nfs/dbraw/zinc/38/40/53/372384053.db2.gz NCILYSBWWOSEFM-LBPRGKRZSA-N 2 2 259.397 3.369 20 0 CGADLP CCCCc1nc(C[N@H+](CCC)C2CC[NH2+]CC2)cs1 ZINC000431077825 372425044 /nfs/dbraw/zinc/42/50/44/372425044.db2.gz QSKKTOWHTXLTQG-UHFFFAOYSA-N 2 2 295.496 3.450 20 0 CGADLP CCCCc1nc(C[N@@H+](CCC)C2CC[NH2+]CC2)cs1 ZINC000431077825 372425055 /nfs/dbraw/zinc/42/50/55/372425055.db2.gz QSKKTOWHTXLTQG-UHFFFAOYSA-N 2 2 295.496 3.450 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000163732217 372490070 /nfs/dbraw/zinc/49/00/70/372490070.db2.gz XOHNMOKAEWMKQC-SFHVURJKSA-N 2 2 290.451 3.043 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432245209 372552230 /nfs/dbraw/zinc/55/22/30/372552230.db2.gz HBAKWJRRNUVEQZ-UHFFFAOYSA-N 2 2 291.197 3.316 20 0 CGADLP c1cn(CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000165950726 372559756 /nfs/dbraw/zinc/55/97/56/372559756.db2.gz IWTIHHRLOMZRAF-SJLPKXTDSA-N 2 2 299.418 3.031 20 0 CGADLP C[NH+](C)C1(C[NH2+]C[C@H]2CC=CCC2)Cc2ccccc2C1 ZINC000344475558 217203791 /nfs/dbraw/zinc/20/37/91/217203791.db2.gz DOLPILDBCYHQJV-INIZCTEOSA-N 2 2 284.447 3.032 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433081529 372579959 /nfs/dbraw/zinc/57/99/59/372579959.db2.gz HGCXHSSKQIIYTP-SJLPKXTDSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433081529 372579966 /nfs/dbraw/zinc/57/99/66/372579966.db2.gz HGCXHSSKQIIYTP-SJLPKXTDSA-N 2 2 286.463 3.265 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccccc32)CC[N@@H+]1C ZINC000168709068 372617534 /nfs/dbraw/zinc/61/75/34/372617534.db2.gz YKABKDLOUBBFNZ-GXTWGEPZSA-N 2 2 255.365 3.129 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccccc32)CC[N@H+]1C ZINC000168709068 372617537 /nfs/dbraw/zinc/61/75/37/372617537.db2.gz YKABKDLOUBBFNZ-GXTWGEPZSA-N 2 2 255.365 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)c1ccccn1 ZINC000294909247 372678075 /nfs/dbraw/zinc/67/80/75/372678075.db2.gz XYBOBKDTGHJSRN-UHFFFAOYSA-N 2 2 283.419 3.285 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2CCCCC2)CC1 ZINC000344534820 217223991 /nfs/dbraw/zinc/22/39/91/217223991.db2.gz SETRJAZDZQQFFA-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@H]1CCCC[C@H]1C ZINC000434984520 372723026 /nfs/dbraw/zinc/72/30/26/372723026.db2.gz ASOMMKHKMSOVEF-BDXSIMOUSA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@H]1CCCC[C@H]1C ZINC000434984520 372723032 /nfs/dbraw/zinc/72/30/32/372723032.db2.gz ASOMMKHKMSOVEF-BDXSIMOUSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@H]1CCCC[C@H]1C ZINC000434984520 372723036 /nfs/dbraw/zinc/72/30/36/372723036.db2.gz ASOMMKHKMSOVEF-BDXSIMOUSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@H]1CCCC[C@H]1C ZINC000434984520 372723042 /nfs/dbraw/zinc/72/30/42/372723042.db2.gz ASOMMKHKMSOVEF-BDXSIMOUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000054764879 541881446 /nfs/dbraw/zinc/88/14/46/541881446.db2.gz HJZCVFCWXIXZDK-UHFFFAOYSA-N 2 2 294.196 3.197 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000435868794 372820250 /nfs/dbraw/zinc/82/02/50/372820250.db2.gz HGYAUGVWEBDXED-HNNXBMFYSA-N 2 2 292.473 3.367 20 0 CGADLP C[NH2+]CCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000435868794 372820261 /nfs/dbraw/zinc/82/02/61/372820261.db2.gz HGYAUGVWEBDXED-HNNXBMFYSA-N 2 2 292.473 3.367 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000437101712 372844758 /nfs/dbraw/zinc/84/47/58/372844758.db2.gz ZMLRSCVUWPCKCX-WZRBSPASSA-N 2 2 278.362 3.178 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000437101712 372844762 /nfs/dbraw/zinc/84/47/62/372844762.db2.gz ZMLRSCVUWPCKCX-WZRBSPASSA-N 2 2 278.362 3.178 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091426 372875914 /nfs/dbraw/zinc/87/59/14/372875914.db2.gz FXOAODJRZKIYBA-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091426 372875920 /nfs/dbraw/zinc/87/59/20/372875920.db2.gz FXOAODJRZKIYBA-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091426 372875930 /nfs/dbraw/zinc/87/59/30/372875930.db2.gz FXOAODJRZKIYBA-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091426 372875940 /nfs/dbraw/zinc/87/59/40/372875940.db2.gz FXOAODJRZKIYBA-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCCCOc1ccccc1 ZINC000438195006 372910088 /nfs/dbraw/zinc/91/00/88/372910088.db2.gz YLEWJVNSYWDGHP-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCCCOc1ccccc1 ZINC000438195006 372910097 /nfs/dbraw/zinc/91/00/97/372910097.db2.gz YLEWJVNSYWDGHP-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000438193003 372910297 /nfs/dbraw/zinc/91/02/97/372910297.db2.gz RYUZOHFEWHZBSK-GOEBONIOSA-N 2 2 278.415 3.221 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000438193003 372910306 /nfs/dbraw/zinc/91/03/06/372910306.db2.gz RYUZOHFEWHZBSK-GOEBONIOSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCC(C)CC1 ZINC000438206743 372911925 /nfs/dbraw/zinc/91/19/25/372911925.db2.gz CZATYPWCTHJFPS-JKSUJKDBSA-N 2 2 292.442 3.467 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C)c1 ZINC000353512461 220127122 /nfs/dbraw/zinc/12/71/22/220127122.db2.gz CTQZJMZXSGUSQA-IAGOWNOFSA-N 2 2 292.492 3.473 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344727026 217288971 /nfs/dbraw/zinc/28/89/71/217288971.db2.gz CRDVCTSRKYOBRA-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344727026 217288975 /nfs/dbraw/zinc/28/89/75/217288975.db2.gz CRDVCTSRKYOBRA-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC000440061382 372983181 /nfs/dbraw/zinc/98/31/81/372983181.db2.gz JQNYRLQVGDTFMY-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC000440061382 372983186 /nfs/dbraw/zinc/98/31/86/372983186.db2.gz JQNYRLQVGDTFMY-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000440061382 372983193 /nfs/dbraw/zinc/98/31/93/372983193.db2.gz JQNYRLQVGDTFMY-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000440061382 372983199 /nfs/dbraw/zinc/98/31/99/372983199.db2.gz JQNYRLQVGDTFMY-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000344760272 217301368 /nfs/dbraw/zinc/30/13/68/217301368.db2.gz BNGVJJKTSOVDJC-UHFFFAOYSA-N 2 2 276.424 3.475 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353528772 220139881 /nfs/dbraw/zinc/13/98/81/220139881.db2.gz HZUZROHTDKWAIK-FUHWJXTLSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779451 373077575 /nfs/dbraw/zinc/07/75/75/373077575.db2.gz IPNCAMICWQXGBX-QWHCGFSZSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779451 373077585 /nfs/dbraw/zinc/07/75/85/373077585.db2.gz IPNCAMICWQXGBX-QWHCGFSZSA-N 2 2 293.480 3.360 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2cnc(C(C)C)nc2)c[nH+]1 ZINC000443070359 373147814 /nfs/dbraw/zinc/14/78/14/373147814.db2.gz YYRGACZRKKWWKV-UHFFFAOYSA-N 2 2 298.434 3.368 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2cnc(C(C)C)nc2)c[nH+]1 ZINC000443070359 373147828 /nfs/dbraw/zinc/14/78/28/373147828.db2.gz YYRGACZRKKWWKV-UHFFFAOYSA-N 2 2 298.434 3.368 20 0 CGADLP Cc1ccc(CCC[N@H+](CCCO)CC(C)(C)C)c[nH+]1 ZINC000353621880 220198810 /nfs/dbraw/zinc/19/88/10/220198810.db2.gz HWETXVMODJSMLP-UHFFFAOYSA-N 2 2 278.440 3.053 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCCO)CC(C)(C)C)c[nH+]1 ZINC000353621880 220198813 /nfs/dbraw/zinc/19/88/13/220198813.db2.gz HWETXVMODJSMLP-UHFFFAOYSA-N 2 2 278.440 3.053 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895959 373519627 /nfs/dbraw/zinc/51/96/27/373519627.db2.gz FFWUDLRVBIULSL-WBVHZDCISA-N 2 2 296.499 3.149 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895959 373519629 /nfs/dbraw/zinc/51/96/29/373519629.db2.gz FFWUDLRVBIULSL-WBVHZDCISA-N 2 2 296.499 3.149 20 0 CGADLP c1csc(C[N@H+]2CCC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000299439082 373542777 /nfs/dbraw/zinc/54/27/77/373542777.db2.gz JFHPNFAWNULIOB-CQSZACIVSA-N 2 2 287.432 3.467 20 0 CGADLP c1csc(C[N@@H+]2CCC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000299439082 373542789 /nfs/dbraw/zinc/54/27/89/373542789.db2.gz JFHPNFAWNULIOB-CQSZACIVSA-N 2 2 287.432 3.467 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccccn1 ZINC000299714828 373604381 /nfs/dbraw/zinc/60/43/81/373604381.db2.gz RDQNJRWWMDSZFP-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccccn1 ZINC000299714828 373604389 /nfs/dbraw/zinc/60/43/89/373604389.db2.gz RDQNJRWWMDSZFP-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP CC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449432010 373710364 /nfs/dbraw/zinc/71/03/64/373710364.db2.gz FIWIZXDFACDDEY-HOTGVXAUSA-N 2 2 287.451 3.466 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC1)c1cccc(OC)c1 ZINC000177193046 373663493 /nfs/dbraw/zinc/66/34/93/373663493.db2.gz QQNHTZSRIXDFQC-KDOFPFPSSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000449444731 373721812 /nfs/dbraw/zinc/72/18/12/373721812.db2.gz CWNIBSZXLRFIKF-JJRVBVJISA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000449444731 373721820 /nfs/dbraw/zinc/72/18/20/373721820.db2.gz CWNIBSZXLRFIKF-JJRVBVJISA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449444666 373722322 /nfs/dbraw/zinc/72/23/22/373722322.db2.gz CWNIBSZXLRFIKF-GRDNDAEWSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449444666 373722328 /nfs/dbraw/zinc/72/23/28/373722328.db2.gz CWNIBSZXLRFIKF-GRDNDAEWSA-N 2 2 258.409 3.210 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC2CCCCCC2)[nH+]1 ZINC000449483787 373774490 /nfs/dbraw/zinc/77/44/90/373774490.db2.gz CFKJTHZWNLTDOW-UHFFFAOYSA-N 2 2 257.381 3.394 20 0 CGADLP CC/C=C/C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449456633 373739804 /nfs/dbraw/zinc/73/98/04/373739804.db2.gz MQDCBNBAWOHZHQ-WCWGKUCCSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C/C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449456633 373739813 /nfs/dbraw/zinc/73/98/13/373739813.db2.gz MQDCBNBAWOHZHQ-WCWGKUCCSA-N 2 2 258.409 3.378 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178414485 373776491 /nfs/dbraw/zinc/77/64/91/373776491.db2.gz PJVMKGLYJNYPLY-CYBMUJFWSA-N 2 2 296.842 3.485 20 0 CGADLP Cc1csc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000449480243 373768891 /nfs/dbraw/zinc/76/88/91/373768891.db2.gz NVRJYVVGNHLVRN-UHFFFAOYSA-N 2 2 271.389 3.302 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449529320 373828548 /nfs/dbraw/zinc/82/85/48/373828548.db2.gz WIOHZRXIVFJQGT-MRXNPFEDSA-N 2 2 276.449 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449529320 373828555 /nfs/dbraw/zinc/82/85/55/373828555.db2.gz WIOHZRXIVFJQGT-MRXNPFEDSA-N 2 2 276.449 3.150 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000178650855 373802375 /nfs/dbraw/zinc/80/23/75/373802375.db2.gz TUKYRGGJRQXIQW-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000178650855 373802384 /nfs/dbraw/zinc/80/23/84/373802384.db2.gz TUKYRGGJRQXIQW-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP CCOc1ccccc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179680666 373903404 /nfs/dbraw/zinc/90/34/04/373903404.db2.gz RWCWKRZFPASHSC-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179680666 373903408 /nfs/dbraw/zinc/90/34/08/373903408.db2.gz RWCWKRZFPASHSC-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(F)c1 ZINC000179427304 373872821 /nfs/dbraw/zinc/87/28/21/373872821.db2.gz YFOYWQJCFOQPLS-UHFFFAOYSA-N 2 2 283.350 3.498 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681501 373905637 /nfs/dbraw/zinc/90/56/37/373905637.db2.gz IIHJJOVDLSHYOK-KGLIPLIRSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681501 373905639 /nfs/dbraw/zinc/90/56/39/373905639.db2.gz IIHJJOVDLSHYOK-KGLIPLIRSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000179832917 373925147 /nfs/dbraw/zinc/92/51/47/373925147.db2.gz AKYJJLZHGSLYEO-UHFFFAOYSA-N 2 2 272.392 3.395 20 0 CGADLP CCc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)cc[nH+]1 ZINC000450258949 374024366 /nfs/dbraw/zinc/02/43/66/374024366.db2.gz CYJDAGQXSOVSGU-UHFFFAOYSA-N 2 2 296.418 3.063 20 0 CGADLP CC(C)[NH+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000180454272 374008097 /nfs/dbraw/zinc/00/80/97/374008097.db2.gz PWZFMOGWUMMBGG-UHFFFAOYSA-N 2 2 257.381 3.491 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC1CC[NH+](C2CC2)CC1 ZINC000450232247 374012715 /nfs/dbraw/zinc/01/27/15/374012715.db2.gz LQFUZLXXRYGDMB-UHFFFAOYSA-N 2 2 297.402 3.282 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180234771 373981183 /nfs/dbraw/zinc/98/11/83/373981183.db2.gz ICWRFGODYKROGR-YCPHGPKFSA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180234771 373981187 /nfs/dbraw/zinc/98/11/87/373981187.db2.gz ICWRFGODYKROGR-YCPHGPKFSA-N 2 2 269.392 3.487 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305124731 374071774 /nfs/dbraw/zinc/07/17/74/374071774.db2.gz HZIIACKAFHSBGJ-DAYGRLMNSA-N 2 2 299.418 3.074 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181652158 374149195 /nfs/dbraw/zinc/14/91/95/374149195.db2.gz QSKJQFQWKLODBT-IUODEOHRSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181652158 374149205 /nfs/dbraw/zinc/14/92/05/374149205.db2.gz QSKJQFQWKLODBT-IUODEOHRSA-N 2 2 296.842 3.311 20 0 CGADLP c1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000317292132 374338526 /nfs/dbraw/zinc/33/85/26/374338526.db2.gz QORXYPNLUFTWIL-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000317292132 374338530 /nfs/dbraw/zinc/33/85/30/374338530.db2.gz QORXYPNLUFTWIL-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000319681948 374347361 /nfs/dbraw/zinc/34/73/61/374347361.db2.gz SLUVYOUQGPOICX-CQSZACIVSA-N 2 2 299.418 3.386 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000319681948 374347364 /nfs/dbraw/zinc/34/73/64/374347364.db2.gz SLUVYOUQGPOICX-CQSZACIVSA-N 2 2 299.418 3.386 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000183278066 374394815 /nfs/dbraw/zinc/39/48/15/374394815.db2.gz UOSWZSBSNDJIJB-XQQFMLRXSA-N 2 2 282.378 3.488 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378788 374465227 /nfs/dbraw/zinc/46/52/27/374465227.db2.gz AFERGWNPCUVSRC-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378788 374465237 /nfs/dbraw/zinc/46/52/37/374465237.db2.gz AFERGWNPCUVSRC-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000453366847 374454176 /nfs/dbraw/zinc/45/41/76/374454176.db2.gz SZYPSOLBVSBMGB-CJNGLKHVSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000453366847 374454178 /nfs/dbraw/zinc/45/41/78/374454178.db2.gz SZYPSOLBVSBMGB-CJNGLKHVSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403390 374473054 /nfs/dbraw/zinc/47/30/54/374473054.db2.gz QNWQVBAMPOQYNY-BBRMVZONSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453403390 374473055 /nfs/dbraw/zinc/47/30/55/374473055.db2.gz QNWQVBAMPOQYNY-BBRMVZONSA-N 2 2 262.441 3.029 20 0 CGADLP CC1(C)C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000453574804 374476846 /nfs/dbraw/zinc/47/68/46/374476846.db2.gz COUPEBNQYRKXGO-INIZCTEOSA-N 2 2 299.418 3.167 20 0 CGADLP COC(C)(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187747 541957488 /nfs/dbraw/zinc/95/74/88/541957488.db2.gz CUBYTCKEWYWKSN-INIZCTEOSA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090187747 541957493 /nfs/dbraw/zinc/95/74/93/541957493.db2.gz CUBYTCKEWYWKSN-INIZCTEOSA-N 2 2 290.451 3.054 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522754 374817929 /nfs/dbraw/zinc/81/79/29/374817929.db2.gz XZLIANPPNJXNOQ-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522754 374817934 /nfs/dbraw/zinc/81/79/34/374817934.db2.gz XZLIANPPNJXNOQ-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186253677 374820887 /nfs/dbraw/zinc/82/08/87/374820887.db2.gz NQNPZNHWESMLEW-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000186908968 374935827 /nfs/dbraw/zinc/93/58/27/374935827.db2.gz BBMQACHDIHCRLX-QGZVFWFLSA-N 2 2 271.408 3.130 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2(Cc3ccccc3)CC2)[nH+]1 ZINC000187492417 375031390 /nfs/dbraw/zinc/03/13/90/375031390.db2.gz DJQLVFWIYCZAQS-UHFFFAOYSA-N 2 2 277.371 3.199 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474369731 375101846 /nfs/dbraw/zinc/10/18/46/375101846.db2.gz JXUJJDDGFALIFB-GXTWGEPZSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474369731 375101851 /nfs/dbraw/zinc/10/18/51/375101851.db2.gz JXUJJDDGFALIFB-GXTWGEPZSA-N 2 2 280.843 3.475 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583407 375048618 /nfs/dbraw/zinc/04/86/18/375048618.db2.gz QKAWMYSUXDSDFK-UEKVPHQBSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583407 375048622 /nfs/dbraw/zinc/04/86/22/375048622.db2.gz QKAWMYSUXDSDFK-UEKVPHQBSA-N 2 2 284.806 3.297 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000480163154 375158309 /nfs/dbraw/zinc/15/83/09/375158309.db2.gz WIJBSAGGCAPMQB-BMGDILEWSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000480163154 375158318 /nfs/dbraw/zinc/15/83/18/375158318.db2.gz WIJBSAGGCAPMQB-BMGDILEWSA-N 2 2 290.451 3.322 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433300 375308167 /nfs/dbraw/zinc/30/81/67/375308167.db2.gz HWLDNKDPBLHKQP-FXUDXRNXSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433300 375308175 /nfs/dbraw/zinc/30/81/75/375308175.db2.gz HWLDNKDPBLHKQP-FXUDXRNXSA-N 2 2 284.513 3.227 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407083 375309200 /nfs/dbraw/zinc/30/92/00/375309200.db2.gz BNTQGIAACVQTNF-HOTGVXAUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407083 375309207 /nfs/dbraw/zinc/30/92/07/375309207.db2.gz BNTQGIAACVQTNF-HOTGVXAUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+](C)C ZINC000491590185 375335142 /nfs/dbraw/zinc/33/51/42/375335142.db2.gz XZVIDNUNFPHFRV-CQSZACIVSA-N 2 2 288.391 3.359 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)s1 ZINC000335684606 375344027 /nfs/dbraw/zinc/34/40/27/375344027.db2.gz VSWHEYLKCMLAIB-NXEZZACHSA-N 2 2 281.812 3.264 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1F ZINC000189784892 375445996 /nfs/dbraw/zinc/44/59/96/375445996.db2.gz RYBYMQHTCYZSHA-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1F ZINC000189784892 375446001 /nfs/dbraw/zinc/44/60/01/375446001.db2.gz RYBYMQHTCYZSHA-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889219 375482662 /nfs/dbraw/zinc/48/26/62/375482662.db2.gz SQMDXCQHBYNCSP-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000495163379 375497796 /nfs/dbraw/zinc/49/77/96/375497796.db2.gz IUYHWRUYUGTOPO-XUWVNRHRSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2CCSC2)C1 ZINC000495163379 375497801 /nfs/dbraw/zinc/49/78/01/375497801.db2.gz IUYHWRUYUGTOPO-XUWVNRHRSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000495163379 375497807 /nfs/dbraw/zinc/49/78/07/375497807.db2.gz IUYHWRUYUGTOPO-XUWVNRHRSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000495163379 375497810 /nfs/dbraw/zinc/49/78/10/375497810.db2.gz IUYHWRUYUGTOPO-XUWVNRHRSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191130605 375582269 /nfs/dbraw/zinc/58/22/69/375582269.db2.gz RFNQSOHSRSNUDX-VIFPVBQESA-N 2 2 258.818 3.146 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000335997059 375602818 /nfs/dbraw/zinc/60/28/18/375602818.db2.gz KIPWMJWKKIUBJR-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000335997059 375602821 /nfs/dbraw/zinc/60/28/21/375602821.db2.gz KIPWMJWKKIUBJR-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP CCN(C)c1ccc(CNc2cc(C)cc(C)[nH+]2)c[nH+]1 ZINC000191523854 375636778 /nfs/dbraw/zinc/63/67/78/375636778.db2.gz XEUBWZVXVNKFTC-UHFFFAOYSA-N 2 2 270.380 3.162 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCOCC1CC1 ZINC000192067238 375693602 /nfs/dbraw/zinc/69/36/02/375693602.db2.gz XLYTVCZGVDPBNL-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCOCC1CC1 ZINC000192067238 375693605 /nfs/dbraw/zinc/69/36/05/375693605.db2.gz XLYTVCZGVDPBNL-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840506 375668194 /nfs/dbraw/zinc/66/81/94/375668194.db2.gz OSCRVPJTNVHSFQ-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840506 375668202 /nfs/dbraw/zinc/66/82/02/375668202.db2.gz OSCRVPJTNVHSFQ-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336101300 375687104 /nfs/dbraw/zinc/68/71/04/375687104.db2.gz ZIWGNUKQEAYQBU-GDBMZVCRSA-N 2 2 269.392 3.166 20 0 CGADLP COCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192022580 375689781 /nfs/dbraw/zinc/68/97/81/375689781.db2.gz OGMWBFALNUNNEJ-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H](C)O1 ZINC000192019263 375690125 /nfs/dbraw/zinc/69/01/25/375690125.db2.gz UVZZDZFIIQHDRV-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192098811 375698412 /nfs/dbraw/zinc/69/84/12/375698412.db2.gz IDBXLYVOXKBFJI-CQSZACIVSA-N 2 2 257.381 3.411 20 0 CGADLP CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192098811 375698417 /nfs/dbraw/zinc/69/84/17/375698417.db2.gz IDBXLYVOXKBFJI-CQSZACIVSA-N 2 2 257.381 3.411 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+]1CCCCC1 ZINC000510649411 375786493 /nfs/dbraw/zinc/78/64/93/375786493.db2.gz HRUHIRQWBWOPOR-CVEARBPZSA-N 2 2 264.457 3.419 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000514724174 375805160 /nfs/dbraw/zinc/80/51/60/375805160.db2.gz CUPXOISGUJFUJB-ZDUSSCGKSA-N 2 2 296.349 3.101 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000192937544 375806308 /nfs/dbraw/zinc/80/63/08/375806308.db2.gz CDOUREZZAFMMSX-CQSZACIVSA-N 2 2 271.364 3.144 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCCNc3ccccc32)[nH+]c1 ZINC000192937374 375806633 /nfs/dbraw/zinc/80/66/33/375806633.db2.gz UTCHIAQAMKRRIQ-QGZVFWFLSA-N 2 2 296.418 3.420 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)c2ccccc2)cc1 ZINC000193308161 375857371 /nfs/dbraw/zinc/85/73/71/375857371.db2.gz SKNGMJKXOBKWHE-LJQANCHMSA-N 2 2 298.430 3.326 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000336895068 376023326 /nfs/dbraw/zinc/02/33/26/376023326.db2.gz MKDXXEZGCMTWMH-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000336895068 376023330 /nfs/dbraw/zinc/02/33/30/376023330.db2.gz MKDXXEZGCMTWMH-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP c1nc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2[nH]1 ZINC000536632307 376104498 /nfs/dbraw/zinc/10/44/98/376104498.db2.gz QQXURQZSSBLYDZ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP c1nc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2[nH]1 ZINC000536632307 376104502 /nfs/dbraw/zinc/10/45/02/376104502.db2.gz QQXURQZSSBLYDZ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cscn1 ZINC000535777780 376057782 /nfs/dbraw/zinc/05/77/82/376057782.db2.gz DMMIVXXKFAVSKO-DGCLKSJQSA-N 2 2 269.458 3.160 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)s1 ZINC000195027498 376070327 /nfs/dbraw/zinc/07/03/27/376070327.db2.gz SWVAZRLAQAMWHL-UHFFFAOYSA-N 2 2 278.465 3.425 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068899 376077816 /nfs/dbraw/zinc/07/78/16/376077816.db2.gz OOVUXXGJXIUFSO-OLZOCXBDSA-N 2 2 273.355 3.110 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217671667 376176952 /nfs/dbraw/zinc/17/69/52/376176952.db2.gz BDKBCWFHSKWPRI-CABCVRRESA-N 2 2 264.800 3.056 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217671667 376176960 /nfs/dbraw/zinc/17/69/60/376176960.db2.gz BDKBCWFHSKWPRI-CABCVRRESA-N 2 2 264.800 3.056 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000337382744 376217414 /nfs/dbraw/zinc/21/74/14/376217414.db2.gz FPLKXWDVAIYXKU-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000337382744 376217417 /nfs/dbraw/zinc/21/74/17/376217417.db2.gz FPLKXWDVAIYXKU-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+]1CCC(C)CC1 ZINC000337990893 376250244 /nfs/dbraw/zinc/25/02/44/376250244.db2.gz FUMYQIBBICGERJ-OIISXLGYSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000539075037 376291604 /nfs/dbraw/zinc/29/16/04/376291604.db2.gz QFUBUXNSQOLLJY-QAPCUYQASA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000539075037 376291608 /nfs/dbraw/zinc/29/16/08/376291608.db2.gz QFUBUXNSQOLLJY-QAPCUYQASA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000226372769 376354857 /nfs/dbraw/zinc/35/48/57/376354857.db2.gz VAEFNQNTQLEUPY-KBPBESRZSA-N 2 2 287.432 3.276 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000226466215 376361497 /nfs/dbraw/zinc/36/14/97/376361497.db2.gz DCVJUJNHPDUXGM-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000226466215 376361501 /nfs/dbraw/zinc/36/15/01/376361501.db2.gz DCVJUJNHPDUXGM-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000227282117 376386474 /nfs/dbraw/zinc/38/64/74/376386474.db2.gz LOJXPNVICRVMHD-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228280772 376432155 /nfs/dbraw/zinc/43/21/55/376432155.db2.gz UTASROUUZJPNIB-IRXDYDNUSA-N 2 2 284.403 3.458 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228280772 376432157 /nfs/dbraw/zinc/43/21/57/376432157.db2.gz UTASROUUZJPNIB-IRXDYDNUSA-N 2 2 284.403 3.458 20 0 CGADLP CC(C)OCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000228564428 376442566 /nfs/dbraw/zinc/44/25/66/376442566.db2.gz VPTROZZEUACSBC-UHFFFAOYSA-N 2 2 287.407 3.167 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000230408340 376513405 /nfs/dbraw/zinc/51/34/05/376513405.db2.gz YLPWXAKDLZNLMM-HUUCEWRRSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230660182 376525498 /nfs/dbraw/zinc/52/54/98/376525498.db2.gz WEKDPMCEDLKGGM-HOCLYGCPSA-N 2 2 269.392 3.398 20 0 CGADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCCCCC1 ZINC000542472708 376544696 /nfs/dbraw/zinc/54/46/96/376544696.db2.gz AFVNXXHOSQFDEB-GDBMZVCRSA-N 2 2 284.513 3.372 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000233892634 376605150 /nfs/dbraw/zinc/60/51/50/376605150.db2.gz MJMIIXVLCLEZRS-ZIAGYGMSSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000339052582 376647156 /nfs/dbraw/zinc/64/71/56/376647156.db2.gz TWPLUDGMNPFPCE-UHFFFAOYSA-N 2 2 296.414 3.436 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576525 376656063 /nfs/dbraw/zinc/65/60/63/376656063.db2.gz JQXRYNKWJIMYKW-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576525 376656070 /nfs/dbraw/zinc/65/60/70/376656070.db2.gz JQXRYNKWJIMYKW-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576525 376656078 /nfs/dbraw/zinc/65/60/78/376656078.db2.gz JQXRYNKWJIMYKW-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576525 376656083 /nfs/dbraw/zinc/65/60/83/376656083.db2.gz JQXRYNKWJIMYKW-ZWKOTPCHSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264564632 190118936 /nfs/dbraw/zinc/11/89/36/190118936.db2.gz VPAPLZQLMFDLIS-UHFFFAOYSA-N 2 2 295.386 3.238 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156290399 542127767 /nfs/dbraw/zinc/12/77/67/542127767.db2.gz MPMJBYNPIUTQFI-TZMCWYRMSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000156109082 542127194 /nfs/dbraw/zinc/12/71/94/542127194.db2.gz DREQHIMTQFFYBK-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)C3CCCC3)[nH+]c12 ZINC000156344186 542127829 /nfs/dbraw/zinc/12/78/29/542127829.db2.gz XOFYLQICNWSRSV-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157809262 542138356 /nfs/dbraw/zinc/13/83/56/542138356.db2.gz MGDDOOZRBVQRKE-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157809262 542138362 /nfs/dbraw/zinc/13/83/62/542138362.db2.gz MGDDOOZRBVQRKE-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000156781256 542130590 /nfs/dbraw/zinc/13/05/90/542130590.db2.gz BIQIFDNSJHHXFZ-HNAYVOBHSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000156781256 542130593 /nfs/dbraw/zinc/13/05/93/542130593.db2.gz BIQIFDNSJHHXFZ-HNAYVOBHSA-N 2 2 295.430 3.000 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000556860200 376892485 /nfs/dbraw/zinc/89/24/85/376892485.db2.gz XDXPGZPVEOXJHM-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278146 376928741 /nfs/dbraw/zinc/92/87/41/376928741.db2.gz YGRWMRXFKFNGGC-ZFWWWQNUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278146 376928752 /nfs/dbraw/zinc/92/87/52/376928752.db2.gz YGRWMRXFKFNGGC-ZFWWWQNUSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000340244699 376960425 /nfs/dbraw/zinc/96/04/25/376960425.db2.gz KRBWGUXWYPKQOS-UHFFFAOYSA-N 2 2 283.297 3.453 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246129305 376971341 /nfs/dbraw/zinc/97/13/41/376971341.db2.gz AWCBPCGCBLPPOA-WMLDXEAASA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246129305 376971343 /nfs/dbraw/zinc/97/13/43/376971343.db2.gz AWCBPCGCBLPPOA-WMLDXEAASA-N 2 2 299.418 3.162 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2c1C ZINC000558492668 377014581 /nfs/dbraw/zinc/01/45/81/377014581.db2.gz GHHVUXWERROUDU-ZDUSSCGKSA-N 2 2 294.402 3.155 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cc2c1C ZINC000558492668 377014590 /nfs/dbraw/zinc/01/45/90/377014590.db2.gz GHHVUXWERROUDU-ZDUSSCGKSA-N 2 2 294.402 3.155 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccccc1 ZINC000246428993 377028594 /nfs/dbraw/zinc/02/85/94/377028594.db2.gz LDFHCPJFHLCCGP-JQHSSLGASA-N 2 2 272.436 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccccc1 ZINC000246428993 377028604 /nfs/dbraw/zinc/02/86/04/377028604.db2.gz LDFHCPJFHLCCGP-JQHSSLGASA-N 2 2 272.436 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)c1ccccc1 ZINC000246428993 377028613 /nfs/dbraw/zinc/02/86/13/377028613.db2.gz LDFHCPJFHLCCGP-JQHSSLGASA-N 2 2 272.436 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)c1ccccc1 ZINC000246428993 377028621 /nfs/dbraw/zinc/02/86/21/377028621.db2.gz LDFHCPJFHLCCGP-JQHSSLGASA-N 2 2 272.436 3.349 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000246872676 377110106 /nfs/dbraw/zinc/11/01/06/377110106.db2.gz QBQJSFFJPSBBTL-ZOBUZTSGSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000246872676 377110112 /nfs/dbraw/zinc/11/01/12/377110112.db2.gz QBQJSFFJPSBBTL-ZOBUZTSGSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872676 377110115 /nfs/dbraw/zinc/11/01/15/377110115.db2.gz QBQJSFFJPSBBTL-ZOBUZTSGSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872676 377110118 /nfs/dbraw/zinc/11/01/18/377110118.db2.gz QBQJSFFJPSBBTL-ZOBUZTSGSA-N 2 2 260.425 3.044 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000559958681 377110885 /nfs/dbraw/zinc/11/08/85/377110885.db2.gz ZQFXPXULAOMVKN-QAPCUYQASA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000559958681 377110893 /nfs/dbraw/zinc/11/08/93/377110893.db2.gz ZQFXPXULAOMVKN-QAPCUYQASA-N 2 2 272.436 3.397 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C)c1O ZINC000340571167 377151466 /nfs/dbraw/zinc/15/14/66/377151466.db2.gz CKNPLVRRSBQDGI-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C)c1O ZINC000340571167 377151470 /nfs/dbraw/zinc/15/14/70/377151470.db2.gz CKNPLVRRSBQDGI-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000561298282 377219049 /nfs/dbraw/zinc/21/90/49/377219049.db2.gz MSXBBXAJKJMNFJ-GOSISDBHSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000247976865 377252501 /nfs/dbraw/zinc/25/25/01/377252501.db2.gz LHOCBVXWSRWSGD-ULQDDVLXSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@H](c1ccccc1)[NH+](C)C ZINC000248629383 377369395 /nfs/dbraw/zinc/36/93/95/377369395.db2.gz GLKCEINOKHQPMZ-HDMKZQKVSA-N 2 2 283.419 3.424 20 0 CGADLP Cc1cc[nH+]c(NCC(C)(C)C[NH+](C)C)c1Cl ZINC000341255102 377467903 /nfs/dbraw/zinc/46/79/03/377467903.db2.gz GWJOCEUXYPLCDQ-UHFFFAOYSA-N 2 2 255.793 3.043 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000163724077 542169452 /nfs/dbraw/zinc/16/94/52/542169452.db2.gz WHOLOSSTMBQFGU-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119956 249016905 /nfs/dbraw/zinc/01/69/05/249016905.db2.gz LRNZMAUHSVBIHD-ROUUACIJSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119956 249016907 /nfs/dbraw/zinc/01/69/07/249016907.db2.gz LRNZMAUHSVBIHD-ROUUACIJSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(C)CCC(C)(C)CC2)n1C ZINC000516878516 249247133 /nfs/dbraw/zinc/24/71/33/249247133.db2.gz NIRUWFNDSZICSR-UHFFFAOYSA-N 2 2 263.429 3.425 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251636275 377591169 /nfs/dbraw/zinc/59/11/69/377591169.db2.gz FRMQDMKKOYXUFR-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251636275 377591176 /nfs/dbraw/zinc/59/11/76/377591176.db2.gz FRMQDMKKOYXUFR-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009665 249253904 /nfs/dbraw/zinc/25/39/04/249253904.db2.gz CPBPBDBGLVBCSL-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009665 249253907 /nfs/dbraw/zinc/25/39/07/249253907.db2.gz CPBPBDBGLVBCSL-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009665 249253908 /nfs/dbraw/zinc/25/39/08/249253908.db2.gz CPBPBDBGLVBCSL-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000517009665 249253911 /nfs/dbraw/zinc/25/39/11/249253911.db2.gz CPBPBDBGLVBCSL-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000180019827 542204455 /nfs/dbraw/zinc/20/44/55/542204455.db2.gz XUCCGXXGVXZNSZ-CQSZACIVSA-N 2 2 298.434 3.165 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000253354014 377685019 /nfs/dbraw/zinc/68/50/19/377685019.db2.gz XTMDNQYFYQBPJM-NVXWUHKLSA-N 2 2 258.409 3.063 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000253354014 377685030 /nfs/dbraw/zinc/68/50/30/377685030.db2.gz XTMDNQYFYQBPJM-NVXWUHKLSA-N 2 2 258.409 3.063 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000342604863 377686309 /nfs/dbraw/zinc/68/63/09/377686309.db2.gz FXWSVKPYHMAZTJ-GOSISDBHSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000342604863 377686317 /nfs/dbraw/zinc/68/63/17/377686317.db2.gz FXWSVKPYHMAZTJ-GOSISDBHSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccsc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342676914 377728618 /nfs/dbraw/zinc/72/86/18/377728618.db2.gz DOLKHERJSUAJRZ-UHFFFAOYSA-N 2 2 271.389 3.336 20 0 CGADLP Cc1ccsc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342676914 377728622 /nfs/dbraw/zinc/72/86/22/377728622.db2.gz DOLKHERJSUAJRZ-UHFFFAOYSA-N 2 2 271.389 3.336 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000259945323 377806078 /nfs/dbraw/zinc/80/60/78/377806078.db2.gz GIFFBZRCUZWULC-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000259945323 377806082 /nfs/dbraw/zinc/80/60/82/377806082.db2.gz GIFFBZRCUZWULC-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261559303 377815108 /nfs/dbraw/zinc/81/51/08/377815108.db2.gz TVNCDYRRAWQDCM-BXUZGUMPSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261559303 377815113 /nfs/dbraw/zinc/81/51/13/377815113.db2.gz TVNCDYRRAWQDCM-BXUZGUMPSA-N 2 2 297.240 3.181 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000261570266 377819133 /nfs/dbraw/zinc/81/91/33/377819133.db2.gz KFYIIRSOGKJBCY-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000261570266 377819139 /nfs/dbraw/zinc/81/91/39/377819139.db2.gz KFYIIRSOGKJBCY-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261581586 377821364 /nfs/dbraw/zinc/82/13/64/377821364.db2.gz QTEBLEZKHREFPQ-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261581586 377821368 /nfs/dbraw/zinc/82/13/68/377821368.db2.gz QTEBLEZKHREFPQ-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584063 377824007 /nfs/dbraw/zinc/82/40/07/377824007.db2.gz SBBWBAPRFMKTJP-OSAQELSMSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261584063 377824015 /nfs/dbraw/zinc/82/40/15/377824015.db2.gz SBBWBAPRFMKTJP-OSAQELSMSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000261781067 377854053 /nfs/dbraw/zinc/85/40/53/377854053.db2.gz PQUSDDCMSGQTPM-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000261781067 377854060 /nfs/dbraw/zinc/85/40/60/377854060.db2.gz PQUSDDCMSGQTPM-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP c1cn(CCC[NH+]2CCC(OC3CCCCC3)CC2)c[nH+]1 ZINC000343317659 377952187 /nfs/dbraw/zinc/95/21/87/377952187.db2.gz DXDXZAMSIOFCOL-UHFFFAOYSA-N 2 2 291.439 3.087 20 0 CGADLP C[C@@]1([NH2+]CCCn2cc[nH+]c2)CCCc2ccccc21 ZINC000343327910 377953338 /nfs/dbraw/zinc/95/33/38/377953338.db2.gz WPJZDKZTWAEAFG-QGZVFWFLSA-N 2 2 269.392 3.115 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000577870814 378019329 /nfs/dbraw/zinc/01/93/29/378019329.db2.gz SPHOBNRLYGHAGU-GJZGRUSLSA-N 2 2 250.361 3.193 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000343468521 377989269 /nfs/dbraw/zinc/98/92/69/377989269.db2.gz UTWAWZHBXNKNRM-XTUQQUOLSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000343468521 377989275 /nfs/dbraw/zinc/98/92/75/377989275.db2.gz UTWAWZHBXNKNRM-XTUQQUOLSA-N 2 2 284.447 3.313 20 0 CGADLP c1cn(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c[nH+]1 ZINC000343619193 378043233 /nfs/dbraw/zinc/04/32/33/378043233.db2.gz UWWPRCCBBXBCOM-UHFFFAOYSA-N 2 2 288.420 3.054 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000578483533 378072793 /nfs/dbraw/zinc/07/27/93/378072793.db2.gz UOYJHHKNSSOWMW-LISAXSMJSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000578483533 378072800 /nfs/dbraw/zinc/07/28/00/378072800.db2.gz UOYJHHKNSSOWMW-LISAXSMJSA-N 2 2 290.451 3.053 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000579142881 378134155 /nfs/dbraw/zinc/13/41/55/378134155.db2.gz KLKNDDZFDBJJCE-UHFFFAOYSA-N 2 2 271.408 3.316 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000268873905 378137775 /nfs/dbraw/zinc/13/77/75/378137775.db2.gz DGZFXHNQCKTCEV-ZDUSSCGKSA-N 2 2 262.397 3.256 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873953 378138672 /nfs/dbraw/zinc/13/86/72/378138672.db2.gz DJAQUYURDBDTKT-ZETOZRRWSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873953 378138674 /nfs/dbraw/zinc/13/86/74/378138674.db2.gz DJAQUYURDBDTKT-ZETOZRRWSA-N 2 2 284.806 3.297 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000268909141 378150346 /nfs/dbraw/zinc/15/03/46/378150346.db2.gz SSZSGRYLGWXRTM-NVXWUHKLSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000268909141 378150351 /nfs/dbraw/zinc/15/03/51/378150351.db2.gz SSZSGRYLGWXRTM-NVXWUHKLSA-N 2 2 299.418 3.126 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCC1 ZINC000268743442 378101825 /nfs/dbraw/zinc/10/18/25/378101825.db2.gz DUKXUGLXKPIURQ-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000268783019 378109726 /nfs/dbraw/zinc/10/97/26/378109726.db2.gz ABILGUVEVPXBIH-ABAIWWIYSA-N 2 2 279.334 3.291 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000269394797 378216666 /nfs/dbraw/zinc/21/66/66/378216666.db2.gz DPMPDZDSTCGGON-LBPRGKRZSA-N 2 2 290.436 3.389 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000269044173 378180248 /nfs/dbraw/zinc/18/02/48/378180248.db2.gz USPNRLXAGNPFRB-CYBMUJFWSA-N 2 2 276.399 3.493 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000579665705 378181640 /nfs/dbraw/zinc/18/16/40/378181640.db2.gz VANVTFUSCQESTC-CZUORRHYSA-N 2 2 285.366 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000579665705 378181645 /nfs/dbraw/zinc/18/16/45/378181645.db2.gz VANVTFUSCQESTC-CZUORRHYSA-N 2 2 285.366 3.036 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580513860 378249370 /nfs/dbraw/zinc/24/93/70/378249370.db2.gz JMVRESNIDYZRBO-ZBCRRDGASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000580513860 378249375 /nfs/dbraw/zinc/24/93/75/378249375.db2.gz JMVRESNIDYZRBO-ZBCRRDGASA-N 2 2 250.430 3.028 20 0 CGADLP Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000266112678 190231467 /nfs/dbraw/zinc/23/14/67/190231467.db2.gz KLEYZOZGSZHSJF-CQSZACIVSA-N 2 2 286.379 3.017 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346233098 378514588 /nfs/dbraw/zinc/51/45/88/378514588.db2.gz ZDCJNXCQGIKGCW-BFYDXBDKSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346233098 378514596 /nfs/dbraw/zinc/51/45/96/378514596.db2.gz ZDCJNXCQGIKGCW-BFYDXBDKSA-N 2 2 274.408 3.361 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315605 378540596 /nfs/dbraw/zinc/54/05/96/378540596.db2.gz UEYXWMXISIWHDN-ROUUACIJSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315605 378540599 /nfs/dbraw/zinc/54/05/99/378540599.db2.gz UEYXWMXISIWHDN-ROUUACIJSA-N 2 2 283.419 3.460 20 0 CGADLP Fc1cccc(C[N@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000346328777 378546825 /nfs/dbraw/zinc/54/68/25/378546825.db2.gz QAGYBGDEEKDAME-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP Fc1cccc(C[N@@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000346328777 378546832 /nfs/dbraw/zinc/54/68/32/378546832.db2.gz QAGYBGDEEKDAME-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000346570860 378626952 /nfs/dbraw/zinc/62/69/52/378626952.db2.gz QACRLKSHDOPFSR-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000346570860 378626957 /nfs/dbraw/zinc/62/69/57/378626957.db2.gz QACRLKSHDOPFSR-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000346469375 378587579 /nfs/dbraw/zinc/58/75/79/378587579.db2.gz BCULUUWQACXEJM-KKUMJFAQSA-N 2 2 294.464 3.042 20 0 CGADLP Cn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000637952831 378641936 /nfs/dbraw/zinc/64/19/36/378641936.db2.gz OAJJJYKTJJIGAT-OAHLLOKOSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000637952831 378641940 /nfs/dbraw/zinc/64/19/40/378641940.db2.gz OAJJJYKTJJIGAT-OAHLLOKOSA-N 2 2 294.402 3.281 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346559651 378620712 /nfs/dbraw/zinc/62/07/12/378620712.db2.gz MIPHLJIBULKRIH-CQSZACIVSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346640054 378657431 /nfs/dbraw/zinc/65/74/31/378657431.db2.gz ACWJLSNQSPZAQX-LBPRGKRZSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346640054 378657441 /nfs/dbraw/zinc/65/74/41/378657441.db2.gz ACWJLSNQSPZAQX-LBPRGKRZSA-N 2 2 269.458 3.072 20 0 CGADLP Cn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2ccccc21 ZINC000637987611 378658321 /nfs/dbraw/zinc/65/83/21/378658321.db2.gz QVCUIQWUXJNNGD-UHFFFAOYSA-N 2 2 294.402 3.281 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346646774 378659318 /nfs/dbraw/zinc/65/93/18/378659318.db2.gz MLILFEKPZUGYLX-LLVKDONJSA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346646774 378659320 /nfs/dbraw/zinc/65/93/20/378659320.db2.gz MLILFEKPZUGYLX-LLVKDONJSA-N 2 2 276.380 3.087 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000346668514 378669840 /nfs/dbraw/zinc/66/98/40/378669840.db2.gz UCKVHPOGUGFBCK-UHFFFAOYSA-N 2 2 298.430 3.422 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000346668514 378669850 /nfs/dbraw/zinc/66/98/50/378669850.db2.gz UCKVHPOGUGFBCK-UHFFFAOYSA-N 2 2 298.430 3.422 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)s1 ZINC000346792146 378688923 /nfs/dbraw/zinc/68/89/23/378688923.db2.gz DNCGGOLCNQXMOF-YNEHKIRRSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)s1 ZINC000346792146 378688928 /nfs/dbraw/zinc/68/89/28/378688928.db2.gz DNCGGOLCNQXMOF-YNEHKIRRSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCN(C)c1ccccc1 ZINC000347952532 378737471 /nfs/dbraw/zinc/73/74/71/378737471.db2.gz FFWCACDIDLHCIU-UHFFFAOYSA-N 2 2 297.446 3.439 20 0 CGADLP C(C[NH2+]CC1([NH+]2CCCCC2)CCCCC1)C[C@H]1CCO1 ZINC000638280937 378753312 /nfs/dbraw/zinc/75/33/12/378753312.db2.gz HBMVLUIVPDRGDC-KRWDZBQOSA-N 2 2 294.483 3.334 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638123646 378709386 /nfs/dbraw/zinc/70/93/86/378709386.db2.gz RSRXVYLIWQCDBV-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638123646 378709395 /nfs/dbraw/zinc/70/93/95/378709395.db2.gz RSRXVYLIWQCDBV-AWEZNQCLSA-N 2 2 297.393 3.183 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000347152701 378709945 /nfs/dbraw/zinc/70/99/45/378709945.db2.gz PAPMZLWADVYPBX-CQDKDKBSSA-N 2 2 294.439 3.292 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000347152701 378709949 /nfs/dbraw/zinc/70/99/49/378709949.db2.gz PAPMZLWADVYPBX-CQDKDKBSSA-N 2 2 294.439 3.292 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000347927784 378731160 /nfs/dbraw/zinc/73/11/60/378731160.db2.gz ZWIRFWQHEZLJTK-UHFFFAOYSA-N 2 2 293.480 3.383 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)s1 ZINC000347927784 378731166 /nfs/dbraw/zinc/73/11/66/378731166.db2.gz ZWIRFWQHEZLJTK-UHFFFAOYSA-N 2 2 293.480 3.383 20 0 CGADLP CCC[NH+]1CCC(C[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000348022047 378756765 /nfs/dbraw/zinc/75/67/65/378756765.db2.gz QPXREBJLALMINF-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348036053 378761093 /nfs/dbraw/zinc/76/10/93/378761093.db2.gz PSPJIBQCXLXUPZ-NSHDSACASA-N 2 2 299.296 3.059 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638298477 378762224 /nfs/dbraw/zinc/76/22/24/378762224.db2.gz RPYNYQKEQCAWJH-TZMCWYRMSA-N 2 2 289.448 3.218 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000348186983 378828918 /nfs/dbraw/zinc/82/89/18/378828918.db2.gz NPBZFGQFDHRIGH-WMZOPIPTSA-N 2 2 281.403 3.247 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638448600 378807442 /nfs/dbraw/zinc/80/74/42/378807442.db2.gz VEUHUDMJTKBUIT-SNPRPXQTSA-N 2 2 282.378 3.231 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000346808117 218020430 /nfs/dbraw/zinc/02/04/30/218020430.db2.gz VFQVZEYKDGUQPQ-XOKHGSTOSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000346808117 218020433 /nfs/dbraw/zinc/02/04/33/218020433.db2.gz VFQVZEYKDGUQPQ-XOKHGSTOSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000348176326 378824153 /nfs/dbraw/zinc/82/41/53/378824153.db2.gz UFNVDZWVWFRAHT-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348236853 378854439 /nfs/dbraw/zinc/85/44/39/378854439.db2.gz CALSZDZMGNDAHE-BPQIPLTHSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348236853 378854443 /nfs/dbraw/zinc/85/44/43/378854443.db2.gz CALSZDZMGNDAHE-BPQIPLTHSA-N 2 2 272.436 3.112 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000274593686 378856960 /nfs/dbraw/zinc/85/69/60/378856960.db2.gz NXLLDIGVPQLAEW-GFCCVEGCSA-N 2 2 276.405 3.353 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638637003 378859643 /nfs/dbraw/zinc/85/96/43/378859643.db2.gz KYDVPASOMFBGAM-BPUTZDHNSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC1(F)F ZINC000638637003 378859649 /nfs/dbraw/zinc/85/96/49/378859649.db2.gz KYDVPASOMFBGAM-BPUTZDHNSA-N 2 2 294.389 3.284 20 0 CGADLP c1ccc2oc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000638734051 378893332 /nfs/dbraw/zinc/89/33/32/378893332.db2.gz KARFDOWJSWKMMC-UHFFFAOYSA-N 2 2 299.418 3.324 20 0 CGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000348304710 378895304 /nfs/dbraw/zinc/89/53/04/378895304.db2.gz OGRZLWWDDIEHMM-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCC(C)(C)C2)s1 ZINC000348358328 378926584 /nfs/dbraw/zinc/92/65/84/378926584.db2.gz QQYYWXBWBARWBB-LBPRGKRZSA-N 2 2 281.469 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)s1 ZINC000348358328 378926589 /nfs/dbraw/zinc/92/65/89/378926589.db2.gz QQYYWXBWBARWBB-LBPRGKRZSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCCC3CCCC3)CC2)CCO1 ZINC000348369764 378930608 /nfs/dbraw/zinc/93/06/08/378930608.db2.gz VTAJOFUWAADEBU-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)CCO1 ZINC000348369764 378930612 /nfs/dbraw/zinc/93/06/12/378930612.db2.gz VTAJOFUWAADEBU-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348417613 378948734 /nfs/dbraw/zinc/94/87/34/378948734.db2.gz IUKOVUVLEBXYMH-SJLPKXTDSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348417613 378948741 /nfs/dbraw/zinc/94/87/41/378948741.db2.gz IUKOVUVLEBXYMH-SJLPKXTDSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2ccccc2C1 ZINC000275250068 378952813 /nfs/dbraw/zinc/95/28/13/378952813.db2.gz OYFSLTJPBSISRT-UHFFFAOYSA-N 2 2 266.388 3.381 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2ccccc2C1 ZINC000275250068 378952816 /nfs/dbraw/zinc/95/28/16/378952816.db2.gz OYFSLTJPBSISRT-UHFFFAOYSA-N 2 2 266.388 3.381 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000276256471 378962605 /nfs/dbraw/zinc/96/26/05/378962605.db2.gz AKNUIWITQDRESI-VDHUWJSZSA-N 2 2 281.403 3.322 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000276256471 378962612 /nfs/dbraw/zinc/96/26/12/378962612.db2.gz AKNUIWITQDRESI-VDHUWJSZSA-N 2 2 281.403 3.322 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000347110783 218125215 /nfs/dbraw/zinc/12/52/15/218125215.db2.gz NXPQIGDXJMXVOW-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000347110783 218125217 /nfs/dbraw/zinc/12/52/17/218125217.db2.gz NXPQIGDXJMXVOW-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP c1c2ccccc2sc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347175455 218145228 /nfs/dbraw/zinc/14/52/28/218145228.db2.gz PNROGPSCZISUFB-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP c1c2ccccc2sc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347175455 218145230 /nfs/dbraw/zinc/14/52/30/218145230.db2.gz PNROGPSCZISUFB-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP Cc1ccoc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278605086 194065861 /nfs/dbraw/zinc/06/58/61/194065861.db2.gz GBIDOGKDJHWZDY-UHFFFAOYSA-N 2 2 286.375 3.335 20 0 CGADLP c1cn(-c2csc(C[NH+]3CC(C4CCC4)C3)c2)c[nH+]1 ZINC000348665934 379012767 /nfs/dbraw/zinc/01/27/67/379012767.db2.gz ANSVPYLCRDKBDW-UHFFFAOYSA-N 2 2 273.405 3.166 20 0 CGADLP CCC[C@@H](C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348818968 379065297 /nfs/dbraw/zinc/06/52/97/379065297.db2.gz UCUQULILIGRRQD-OAHLLOKOSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@@H](C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348818968 379065302 /nfs/dbraw/zinc/06/53/02/379065302.db2.gz UCUQULILIGRRQD-OAHLLOKOSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@@H](C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348818968 379065308 /nfs/dbraw/zinc/06/53/08/379065308.db2.gz UCUQULILIGRRQD-OAHLLOKOSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@@H](C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348818968 379065314 /nfs/dbraw/zinc/06/53/14/379065314.db2.gz UCUQULILIGRRQD-OAHLLOKOSA-N 2 2 266.429 3.470 20 0 CGADLP C[NH+](CCC[N@@H+](C)CC1CCSCC1)Cc1ccco1 ZINC000639166631 379083153 /nfs/dbraw/zinc/08/31/53/379083153.db2.gz PACVYGZNODDTRT-UHFFFAOYSA-N 2 2 296.480 3.177 20 0 CGADLP C[NH+](CCC[N@H+](C)CC1CCSCC1)Cc1ccco1 ZINC000639166631 379083158 /nfs/dbraw/zinc/08/31/58/379083158.db2.gz PACVYGZNODDTRT-UHFFFAOYSA-N 2 2 296.480 3.177 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCSCC1 ZINC000639166631 379083169 /nfs/dbraw/zinc/08/31/69/379083169.db2.gz PACVYGZNODDTRT-UHFFFAOYSA-N 2 2 296.480 3.177 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCSCC1 ZINC000639166631 379083175 /nfs/dbraw/zinc/08/31/75/379083175.db2.gz PACVYGZNODDTRT-UHFFFAOYSA-N 2 2 296.480 3.177 20 0 CGADLP CC1(C)CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348848016 379083803 /nfs/dbraw/zinc/08/38/03/379083803.db2.gz LWJDADQYYYSVMN-AWEZNQCLSA-N 2 2 270.380 3.317 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000277204400 379097357 /nfs/dbraw/zinc/09/73/57/379097357.db2.gz JQUBVKDCYRSPSN-LSDHHAIUSA-N 2 2 293.480 3.393 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000277335513 379134011 /nfs/dbraw/zinc/13/40/11/379134011.db2.gz VUFDICLPVISGMZ-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000277335513 379134015 /nfs/dbraw/zinc/13/40/15/379134015.db2.gz VUFDICLPVISGMZ-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000639192052 379115149 /nfs/dbraw/zinc/11/51/49/379115149.db2.gz OSKSCENEWZHHQT-ZNMIVQPWSA-N 2 2 273.424 3.382 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000639192052 379115157 /nfs/dbraw/zinc/11/51/57/379115157.db2.gz OSKSCENEWZHHQT-ZNMIVQPWSA-N 2 2 273.424 3.382 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000347492744 218254884 /nfs/dbraw/zinc/25/48/84/218254884.db2.gz KJDDCLLHDXFURY-SWLSCSKDSA-N 2 2 289.810 3.245 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277643036 379205856 /nfs/dbraw/zinc/20/58/56/379205856.db2.gz YNQIZAALYRKCEL-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277643036 379205859 /nfs/dbraw/zinc/20/58/59/379205859.db2.gz YNQIZAALYRKCEL-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000349374099 379256028 /nfs/dbraw/zinc/25/60/28/379256028.db2.gz YFHGFGTYRBOKAG-UHFFFAOYSA-N 2 2 283.485 3.115 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000349374099 379256036 /nfs/dbraw/zinc/25/60/36/379256036.db2.gz YFHGFGTYRBOKAG-UHFFFAOYSA-N 2 2 283.485 3.115 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000349608788 379318482 /nfs/dbraw/zinc/31/84/82/379318482.db2.gz GXINDOZLWISLHB-CQSZACIVSA-N 2 2 276.449 3.125 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000349608788 379318490 /nfs/dbraw/zinc/31/84/90/379318490.db2.gz GXINDOZLWISLHB-CQSZACIVSA-N 2 2 276.449 3.125 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ncccc2C)CC1 ZINC000639375925 379333854 /nfs/dbraw/zinc/33/38/54/379333854.db2.gz LCRHGUKOCGPBIU-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000639378573 379337765 /nfs/dbraw/zinc/33/77/65/379337765.db2.gz IUWMUQGAAKXCTG-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000639379883 379339263 /nfs/dbraw/zinc/33/92/63/379339263.db2.gz SDJDOJFWIJFAPY-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)o1 ZINC000278328344 379350498 /nfs/dbraw/zinc/35/04/98/379350498.db2.gz VYXKMZFSSWXSGY-CYBMUJFWSA-N 2 2 283.375 3.437 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3C[NH+]4CCC3CC4)cc21 ZINC000639392822 379358685 /nfs/dbraw/zinc/35/86/85/379358685.db2.gz LXKKJNYEQFTKTQ-SFHVURJKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+](C)[C@H]3C[NH+]4CCC3CC4)cc21 ZINC000639392822 379358695 /nfs/dbraw/zinc/35/86/95/379358695.db2.gz LXKKJNYEQFTKTQ-SFHVURJKSA-N 2 2 283.419 3.002 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266700613 190276053 /nfs/dbraw/zinc/27/60/53/190276053.db2.gz CONZBVVZDKKXKK-LBPRGKRZSA-N 2 2 273.355 3.489 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)[nH]1 ZINC000266909719 190289977 /nfs/dbraw/zinc/28/99/77/190289977.db2.gz IPSZNHHAVNDDSR-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)[nH]1 ZINC000266909719 190289978 /nfs/dbraw/zinc/28/99/78/190289978.db2.gz IPSZNHHAVNDDSR-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(C)[nH+]1 ZINC000639696908 379554376 /nfs/dbraw/zinc/55/43/76/379554376.db2.gz BDCCSUYIRABELC-OAHLLOKOSA-N 2 2 262.397 3.006 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(C)[nH+]1 ZINC000639696908 379554385 /nfs/dbraw/zinc/55/43/85/379554385.db2.gz BDCCSUYIRABELC-OAHLLOKOSA-N 2 2 262.397 3.006 20 0 CGADLP c1cn(-c2ccc(C[N@H+](CC3CC3)CC3CCC3)cn2)c[nH+]1 ZINC000280196557 379637346 /nfs/dbraw/zinc/63/73/46/379637346.db2.gz HROGZPSWJXFPFU-UHFFFAOYSA-N 2 2 296.418 3.279 20 0 CGADLP c1cn(-c2ccc(C[N@@H+](CC3CC3)CC3CCC3)cn2)c[nH+]1 ZINC000280196557 379637359 /nfs/dbraw/zinc/63/73/59/379637359.db2.gz HROGZPSWJXFPFU-UHFFFAOYSA-N 2 2 296.418 3.279 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926831 379648674 /nfs/dbraw/zinc/64/86/74/379648674.db2.gz BWYRBAYYFARPEP-DZGCQCFKSA-N 2 2 262.397 3.147 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926831 379648684 /nfs/dbraw/zinc/64/86/84/379648684.db2.gz BWYRBAYYFARPEP-DZGCQCFKSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926831 379648689 /nfs/dbraw/zinc/64/86/89/379648689.db2.gz BWYRBAYYFARPEP-DZGCQCFKSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926831 379648703 /nfs/dbraw/zinc/64/87/03/379648703.db2.gz BWYRBAYYFARPEP-DZGCQCFKSA-N 2 2 262.397 3.147 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)no1 ZINC000377541252 379692382 /nfs/dbraw/zinc/69/23/82/379692382.db2.gz LINRJUJGKAQSHF-KRWDZBQOSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)no1 ZINC000377541252 379692387 /nfs/dbraw/zinc/69/23/87/379692387.db2.gz LINRJUJGKAQSHF-KRWDZBQOSA-N 2 2 285.391 3.456 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381217 379694019 /nfs/dbraw/zinc/69/40/19/379694019.db2.gz UFUGIHYDQIAFNP-DZGCQCFKSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381217 379694029 /nfs/dbraw/zinc/69/40/29/379694029.db2.gz UFUGIHYDQIAFNP-DZGCQCFKSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381217 379694037 /nfs/dbraw/zinc/69/40/37/379694037.db2.gz UFUGIHYDQIAFNP-DZGCQCFKSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381217 379694044 /nfs/dbraw/zinc/69/40/44/379694044.db2.gz UFUGIHYDQIAFNP-DZGCQCFKSA-N 2 2 280.362 3.150 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000267214755 190312556 /nfs/dbraw/zinc/31/25/56/190312556.db2.gz MLFZLFZUQXPDQD-YOEHRIQHSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000267214755 190312557 /nfs/dbraw/zinc/31/25/57/190312557.db2.gz MLFZLFZUQXPDQD-YOEHRIQHSA-N 2 2 296.418 3.108 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000377412514 379677142 /nfs/dbraw/zinc/67/71/42/379677142.db2.gz OCGPRPLFJMLOTH-CXAGYDPISA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000377412514 379677157 /nfs/dbraw/zinc/67/71/57/379677157.db2.gz OCGPRPLFJMLOTH-CXAGYDPISA-N 2 2 284.407 3.039 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377414387 379677401 /nfs/dbraw/zinc/67/74/01/379677401.db2.gz XOUVNBBFMVXPDL-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377414387 379677408 /nfs/dbraw/zinc/67/74/08/379677408.db2.gz XOUVNBBFMVXPDL-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H](C3CCC3)CC2)c[nH+]1 ZINC000640107266 379723380 /nfs/dbraw/zinc/72/33/80/379723380.db2.gz YFWVRYPMAGTEEP-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H](C3CCC3)CC2)c[nH+]1 ZINC000640107266 379723386 /nfs/dbraw/zinc/72/33/86/379723386.db2.gz YFWVRYPMAGTEEP-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000377748575 379731861 /nfs/dbraw/zinc/73/18/61/379731861.db2.gz SCVIREDMJSALSY-GHMZBOCLSA-N 2 2 290.436 3.198 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000377748575 379731866 /nfs/dbraw/zinc/73/18/66/379731866.db2.gz SCVIREDMJSALSY-GHMZBOCLSA-N 2 2 290.436 3.198 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640151943 379735139 /nfs/dbraw/zinc/73/51/39/379735139.db2.gz AKJXLHYBUSNRGO-JKSUJKDBSA-N 2 2 282.378 3.300 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640151943 379735147 /nfs/dbraw/zinc/73/51/47/379735147.db2.gz AKJXLHYBUSNRGO-JKSUJKDBSA-N 2 2 282.378 3.300 20 0 CGADLP CCOC1CC(C[N@@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747820 /nfs/dbraw/zinc/74/78/20/379747820.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[N@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747824 /nfs/dbraw/zinc/74/78/24/379747824.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[NH+]2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747828 /nfs/dbraw/zinc/74/78/28/379747828.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[NH+]2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881029 379747830 /nfs/dbraw/zinc/74/78/30/379747830.db2.gz YBSNYZHIVGUERT-IKKRTKPYSA-N 2 2 294.483 3.139 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000125260343 535456715 /nfs/dbraw/zinc/45/67/15/535456715.db2.gz QQLZGBXUGAHIIO-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000125260343 535456720 /nfs/dbraw/zinc/45/67/20/535456720.db2.gz QQLZGBXUGAHIIO-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000377627641 379708481 /nfs/dbraw/zinc/70/84/81/379708481.db2.gz QCWQCZQFSKGTQJ-ZWKOTPCHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000347741558 218341804 /nfs/dbraw/zinc/34/18/04/218341804.db2.gz XCQULGRDHORVPR-INIZCTEOSA-N 2 2 287.407 3.481 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000347741558 218341806 /nfs/dbraw/zinc/34/18/06/218341806.db2.gz XCQULGRDHORVPR-INIZCTEOSA-N 2 2 287.407 3.481 20 0 CGADLP Fc1ccc(/C=C/C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378342972 379805657 /nfs/dbraw/zinc/80/56/57/379805657.db2.gz RCEFQAKMFHPKGE-OWOJBTEDSA-N 2 2 285.366 3.442 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@@H+]1C1CC1 ZINC000280747103 379778484 /nfs/dbraw/zinc/77/84/84/379778484.db2.gz XNYUVFXOUSTWFO-AJNGGQMLSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@H+]1C1CC1 ZINC000280747103 379778489 /nfs/dbraw/zinc/77/84/89/379778489.db2.gz XNYUVFXOUSTWFO-AJNGGQMLSA-N 2 2 288.410 3.287 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267447568 190331408 /nfs/dbraw/zinc/33/14/08/190331408.db2.gz QKXPBOFVZNGLRU-OAHLLOKOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267447568 190331409 /nfs/dbraw/zinc/33/14/09/190331409.db2.gz QKXPBOFVZNGLRU-OAHLLOKOSA-N 2 2 269.392 3.406 20 0 CGADLP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000352555367 379857973 /nfs/dbraw/zinc/85/79/73/379857973.db2.gz MEJHADQBUJMHHP-FHERZECASA-N 2 2 282.472 3.043 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC12CCC2 ZINC000282162744 379865084 /nfs/dbraw/zinc/86/50/84/379865084.db2.gz LTYBKFYACAOBTM-MRXNPFEDSA-N 2 2 269.392 3.267 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000389306892 379895336 /nfs/dbraw/zinc/89/53/36/379895336.db2.gz FLCLBVVFAJDZAZ-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000389306892 379895340 /nfs/dbraw/zinc/89/53/40/379895340.db2.gz FLCLBVVFAJDZAZ-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389207146 379896348 /nfs/dbraw/zinc/89/63/48/379896348.db2.gz AXKFBDMRQRHGOC-LLVKDONJSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389207146 379896352 /nfs/dbraw/zinc/89/63/52/379896352.db2.gz AXKFBDMRQRHGOC-LLVKDONJSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CCC[N@@H+]1C ZINC000352731234 379928843 /nfs/dbraw/zinc/92/88/43/379928843.db2.gz IEQBUTDGHRKKFN-ZQAVMGHOSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CCC[N@H+]1C ZINC000352731234 379928850 /nfs/dbraw/zinc/92/88/50/379928850.db2.gz IEQBUTDGHRKKFN-ZQAVMGHOSA-N 2 2 280.362 3.050 20 0 CGADLP CSc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000352809013 379973296 /nfs/dbraw/zinc/97/32/96/379973296.db2.gz FFGGFNZCIAKEFZ-MNOVXSKESA-N 2 2 270.467 3.042 20 0 CGADLP CSc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000352809013 379973302 /nfs/dbraw/zinc/97/33/02/379973302.db2.gz FFGGFNZCIAKEFZ-MNOVXSKESA-N 2 2 270.467 3.042 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000282537347 379939992 /nfs/dbraw/zinc/93/99/92/379939992.db2.gz BLAZKWMVUWVADV-OLZOCXBDSA-N 2 2 277.799 3.146 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000400416061 379949263 /nfs/dbraw/zinc/94/92/63/379949263.db2.gz VJASZXOJADVIEQ-WDMOLILDSA-N 2 2 297.240 3.240 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000400710771 379953367 /nfs/dbraw/zinc/95/33/67/379953367.db2.gz MCPZKJBWEDIHPZ-MISXGVKJSA-N 2 2 252.427 3.156 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000641717271 380059719 /nfs/dbraw/zinc/05/97/19/380059719.db2.gz CSFNNBFIWBMSEY-CYBMUJFWSA-N 2 2 282.453 3.212 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000641717271 380059728 /nfs/dbraw/zinc/05/97/28/380059728.db2.gz CSFNNBFIWBMSEY-CYBMUJFWSA-N 2 2 282.453 3.212 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)no1 ZINC000283933810 380106820 /nfs/dbraw/zinc/10/68/20/380106820.db2.gz FCXALPAVKSXBPQ-HNNXBMFYSA-N 2 2 299.418 3.430 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000641801373 380111330 /nfs/dbraw/zinc/11/13/30/380111330.db2.gz BSWJZLRQYTZUJC-NEPJUHHUSA-N 2 2 293.461 3.087 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ncc(-c2ccccc2)o1 ZINC000641802556 380113285 /nfs/dbraw/zinc/11/32/85/380113285.db2.gz MQNBUMJTDRHNDC-CQDKDKBSSA-N 2 2 285.391 3.118 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414165514 380196357 /nfs/dbraw/zinc/19/63/57/380196357.db2.gz PRDVSXZRORAQHF-PNBKFKSVSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000414165514 380196367 /nfs/dbraw/zinc/19/63/67/380196367.db2.gz PRDVSXZRORAQHF-PNBKFKSVSA-N 2 2 260.425 3.141 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643289047 380255395 /nfs/dbraw/zinc/25/53/95/380255395.db2.gz MFWJUWVKRRKVLR-OAHLLOKOSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643289047 380255399 /nfs/dbraw/zinc/25/53/99/380255399.db2.gz MFWJUWVKRRKVLR-OAHLLOKOSA-N 2 2 262.441 3.173 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000643499658 380320883 /nfs/dbraw/zinc/32/08/83/380320883.db2.gz CSVCNBSEPLKLQR-WMLDXEAASA-N 2 2 254.377 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500915 380321015 /nfs/dbraw/zinc/32/10/15/380321015.db2.gz HXLBEWFGVCTSKE-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(Cl)c1 ZINC000643500843 380321108 /nfs/dbraw/zinc/32/11/08/380321108.db2.gz BEDSYNIUINTNOO-ZYHUDNBSSA-N 2 2 270.779 3.272 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643500989 380322370 /nfs/dbraw/zinc/32/23/70/380322370.db2.gz NHTKIPONEYGVTE-GDBMZVCRSA-N 2 2 276.424 3.268 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501672 380324681 /nfs/dbraw/zinc/32/46/81/380324681.db2.gz NNOCYNRZWOOPFQ-RDJZCZTQSA-N 2 2 288.435 3.249 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc2ccccc2c1 ZINC000643505939 380326619 /nfs/dbraw/zinc/32/66/19/380326619.db2.gz FJCHGAZLSOBXHS-CYBMUJFWSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2sccc21 ZINC000643502859 380326736 /nfs/dbraw/zinc/32/67/36/380326736.db2.gz UBCARZLDDMCORL-DYEKYZERSA-N 2 2 264.438 3.418 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506561 380327970 /nfs/dbraw/zinc/32/79/70/380327970.db2.gz BGEGJZRGIKSXIW-GFCCVEGCSA-N 2 2 264.438 3.201 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506435 380328506 /nfs/dbraw/zinc/32/85/06/380328506.db2.gz WWDITOUBQIBISY-AWEZNQCLSA-N 2 2 276.424 3.124 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643506382 380328659 /nfs/dbraw/zinc/32/86/59/380328659.db2.gz UODPELCCFAYSTG-CQSZACIVSA-N 2 2 252.789 3.133 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643506633 380328740 /nfs/dbraw/zinc/32/87/40/380328740.db2.gz DJWILWHWMHPIPW-HNNXBMFYSA-N 2 2 266.816 3.379 20 0 CGADLP Clc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507085 380330337 /nfs/dbraw/zinc/33/03/37/380330337.db2.gz RPPGBZNRKMTPPS-HNNXBMFYSA-N 2 2 264.800 3.133 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000643508542 380331590 /nfs/dbraw/zinc/33/15/90/380331590.db2.gz BPHGONLINJJPTB-KURKYZTESA-N 2 2 290.451 3.357 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000643509063 380332171 /nfs/dbraw/zinc/33/21/71/380332171.db2.gz HCOFXMYLRQURHS-RTBURBONSA-N 2 2 280.415 3.224 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000354119034 380334995 /nfs/dbraw/zinc/33/49/95/380334995.db2.gz YRRNMHHSDNQMER-OAHLLOKOSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000354119034 380335002 /nfs/dbraw/zinc/33/50/02/380335002.db2.gz YRRNMHHSDNQMER-OAHLLOKOSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000354129021 380337589 /nfs/dbraw/zinc/33/75/89/380337589.db2.gz XLXSXSUVIUTHJW-CQSZACIVSA-N 2 2 295.361 3.463 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000643464978 380314098 /nfs/dbraw/zinc/31/40/98/380314098.db2.gz URIDSYPGEKEUPL-NWDGAFQWSA-N 2 2 267.442 3.059 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000414678349 380367944 /nfs/dbraw/zinc/36/79/44/380367944.db2.gz QIFWTLIABWJUMQ-HOTGVXAUSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000414678349 380367951 /nfs/dbraw/zinc/36/79/51/380367951.db2.gz QIFWTLIABWJUMQ-HOTGVXAUSA-N 2 2 278.465 3.150 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000643526076 380341144 /nfs/dbraw/zinc/34/11/44/380341144.db2.gz OTNTUNINWGMEEP-UFBFGSQYSA-N 2 2 261.196 3.381 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000643537629 380353466 /nfs/dbraw/zinc/35/34/66/380353466.db2.gz NDHWJLHECFPMOL-SNPRPXQTSA-N 2 2 288.366 3.297 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000643537300 380353529 /nfs/dbraw/zinc/35/35/29/380353529.db2.gz DQOFFELYLLFPPA-IRXDYDNUSA-N 2 2 284.378 3.066 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000643537759 380354457 /nfs/dbraw/zinc/35/44/57/380354457.db2.gz QDUUKHBQRDVNEL-FHWLQOOXSA-N 2 2 298.405 3.260 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538010 380356115 /nfs/dbraw/zinc/35/61/15/380356115.db2.gz WMVIWVBTVNTGAB-BPUTZDHNSA-N 2 2 294.414 3.072 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000354408021 380426919 /nfs/dbraw/zinc/42/69/19/380426919.db2.gz LAZCUBXPZQNVGY-AWEZNQCLSA-N 2 2 282.472 3.044 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414819354 380430938 /nfs/dbraw/zinc/43/09/38/380430938.db2.gz YNBOVICQTLMGGR-LLVKDONJSA-N 2 2 269.458 3.048 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000644536552 380441918 /nfs/dbraw/zinc/44/19/18/380441918.db2.gz GFDVMWHHUKCCOY-YQFWSFKMSA-N 2 2 283.419 3.338 20 0 CGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C1CCOCC1 ZINC000354451369 380444804 /nfs/dbraw/zinc/44/48/04/380444804.db2.gz AZSQJOJJQYRWEZ-KRWDZBQOSA-N 2 2 276.424 3.117 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)s2)c1 ZINC000414850003 380452122 /nfs/dbraw/zinc/45/21/22/380452122.db2.gz RVMHMXKXKZXORJ-CQSZACIVSA-N 2 2 290.407 3.396 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000414851351 380454645 /nfs/dbraw/zinc/45/46/45/380454645.db2.gz UDRBHTMSZUFNCK-INIZCTEOSA-N 2 2 297.402 3.024 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000354352646 380410204 /nfs/dbraw/zinc/41/02/04/380410204.db2.gz QTAYPLNBRJKWQW-OAHLLOKOSA-N 2 2 284.403 3.249 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414802657 380416264 /nfs/dbraw/zinc/41/62/64/380416264.db2.gz LAKVLYRXOFEZAF-UHFFFAOYSA-N 2 2 280.721 3.186 20 0 CGADLP Cc1cc(C)[nH+]c(NCCCc2ccc(C)[nH+]c2)c1 ZINC000354559862 380485777 /nfs/dbraw/zinc/48/57/77/380485777.db2.gz CBZGREMQLDIDSB-UHFFFAOYSA-N 2 2 255.365 3.447 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414934984 380496209 /nfs/dbraw/zinc/49/62/09/380496209.db2.gz UBDCNWKQYWDQPX-WBMJQRKESA-N 2 2 288.366 3.173 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414941861 380499867 /nfs/dbraw/zinc/49/98/67/380499867.db2.gz BFWZSBGCCUSYGI-KRWDZBQOSA-N 2 2 286.806 3.317 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414961446 380503131 /nfs/dbraw/zinc/50/31/31/380503131.db2.gz VHFYUFUQGNHOTO-BPQIPLTHSA-N 2 2 270.420 3.042 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)c2ccncc2)c[nH+]1 ZINC000354648306 380513635 /nfs/dbraw/zinc/51/36/35/380513635.db2.gz LJYQZDARUZPIBV-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)c2ccncc2)c[nH+]1 ZINC000354648306 380513640 /nfs/dbraw/zinc/51/36/40/380513640.db2.gz LJYQZDARUZPIBV-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304305 380587381 /nfs/dbraw/zinc/58/73/81/380587381.db2.gz FENDCPUNPODVPZ-HDNYOTOHSA-N 2 2 290.476 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304305 380587384 /nfs/dbraw/zinc/58/73/84/380587384.db2.gz FENDCPUNPODVPZ-HDNYOTOHSA-N 2 2 290.476 3.455 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000355138022 380595413 /nfs/dbraw/zinc/59/54/13/380595413.db2.gz RAXJYAHKAWFBEE-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000355138022 380595419 /nfs/dbraw/zinc/59/54/19/380595419.db2.gz RAXJYAHKAWFBEE-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161406 380599540 /nfs/dbraw/zinc/59/95/40/380599540.db2.gz VVTAYKBNABPOET-SWLSCSKDSA-N 2 2 266.816 3.078 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161406 380599547 /nfs/dbraw/zinc/59/95/47/380599547.db2.gz VVTAYKBNABPOET-SWLSCSKDSA-N 2 2 266.816 3.078 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000417357238 380605681 /nfs/dbraw/zinc/60/56/81/380605681.db2.gz QWPMZWGBOWUVFT-QGZVFWFLSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417360600 380606887 /nfs/dbraw/zinc/60/68/87/380606887.db2.gz XNMCQLPXDMSFSN-BLLLJJGKSA-N 2 2 276.399 3.133 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000417358156 380607846 /nfs/dbraw/zinc/60/78/46/380607846.db2.gz SOGJQPVESJFSIO-IRXDYDNUSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC)cc1 ZINC000417389467 380618460 /nfs/dbraw/zinc/61/84/60/380618460.db2.gz XJHSASHLOVOPRO-MRXNPFEDSA-N 2 2 276.424 3.220 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2COC(C)(C)C2)[NH+](C)C)cc1 ZINC000417840654 380682529 /nfs/dbraw/zinc/68/25/29/380682529.db2.gz LJXOTBXGTWQXDH-SJORKVTESA-N 2 2 290.451 3.009 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000645827959 380744317 /nfs/dbraw/zinc/74/43/17/380744317.db2.gz LYKGMTZXZTUSQT-UHFFFAOYSA-N 2 2 296.414 3.228 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354170 380850908 /nfs/dbraw/zinc/85/09/08/380850908.db2.gz BOGLNUMSRWRLNA-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420354170 380850923 /nfs/dbraw/zinc/85/09/23/380850923.db2.gz BOGLNUMSRWRLNA-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP Cc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc(C)n1 ZINC000421376143 380915080 /nfs/dbraw/zinc/91/50/80/380915080.db2.gz ITNCLSQBOXFMEK-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000356886684 380920619 /nfs/dbraw/zinc/92/06/19/380920619.db2.gz YEPSKHMPVBJNNO-GDBMZVCRSA-N 2 2 298.434 3.377 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccccc1)CCC2 ZINC000359952287 381385586 /nfs/dbraw/zinc/38/55/86/381385586.db2.gz KZKMCQHTJVEMLA-GDBMZVCRSA-N 2 2 269.392 3.420 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000359969102 381393253 /nfs/dbraw/zinc/39/32/53/381393253.db2.gz FTIVSJFDPWYUHC-WOPDTQHZSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000359969102 381393259 /nfs/dbraw/zinc/39/32/59/381393259.db2.gz FTIVSJFDPWYUHC-WOPDTQHZSA-N 2 2 266.351 3.180 20 0 CGADLP CC[NH+](CC)CCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000360182765 381470567 /nfs/dbraw/zinc/47/05/67/381470567.db2.gz AEDWHFBEBLQKQX-UHFFFAOYSA-N 2 2 290.455 3.123 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000221852622 542287835 /nfs/dbraw/zinc/28/78/35/542287835.db2.gz KPGQCBDITHUGAJ-YCPHGPKFSA-N 2 2 288.435 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000221852622 542287837 /nfs/dbraw/zinc/28/78/37/542287837.db2.gz KPGQCBDITHUGAJ-YCPHGPKFSA-N 2 2 288.435 3.361 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000289177532 197254692 /nfs/dbraw/zinc/25/46/92/197254692.db2.gz FSKOSLXWLYHGBD-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346503 381709229 /nfs/dbraw/zinc/70/92/29/381709229.db2.gz OXULIUCVDGWIDJ-WCQYABFASA-N 2 2 281.469 3.005 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346503 381709232 /nfs/dbraw/zinc/70/92/32/381709232.db2.gz OXULIUCVDGWIDJ-WCQYABFASA-N 2 2 281.469 3.005 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc1C(C)C ZINC000361340363 381705116 /nfs/dbraw/zinc/70/51/16/381705116.db2.gz CZNVJJJAIGJIIN-AAEUAGOBSA-N 2 2 281.469 3.147 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1C(C)C ZINC000361340363 381705126 /nfs/dbraw/zinc/70/51/26/381705126.db2.gz CZNVJJJAIGJIIN-AAEUAGOBSA-N 2 2 281.469 3.147 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361484003 381768907 /nfs/dbraw/zinc/76/89/07/381768907.db2.gz HDBRYYOUQZRSGU-UONOGXRCSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])ccc2n1 ZINC000228688831 542299229 /nfs/dbraw/zinc/29/92/29/542299229.db2.gz FOAYLLNRTYSYBH-FZKQIMNGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])ccc2n1 ZINC000228688831 542299233 /nfs/dbraw/zinc/29/92/33/542299233.db2.gz FOAYLLNRTYSYBH-FZKQIMNGSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000370112079 382418710 /nfs/dbraw/zinc/41/87/10/382418710.db2.gz NUGTXCSTRQSVFF-AWEZNQCLSA-N 2 2 275.440 3.320 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250644175 542343866 /nfs/dbraw/zinc/34/38/66/542343866.db2.gz UTCUONSLKCDFLO-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250644175 542343869 /nfs/dbraw/zinc/34/38/69/542343869.db2.gz UTCUONSLKCDFLO-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252919889 542351619 /nfs/dbraw/zinc/35/16/19/542351619.db2.gz FBFOMHSLJBKCOV-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252919889 542351622 /nfs/dbraw/zinc/35/16/22/542351622.db2.gz FBFOMHSLJBKCOV-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000423563164 533004888 /nfs/dbraw/zinc/00/48/88/533004888.db2.gz QWGILMGXSMUQTM-AAEUAGOBSA-N 2 2 282.428 3.340 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261098 533009538 /nfs/dbraw/zinc/00/95/38/533009538.db2.gz IZNBWBKQDDDGSL-XJKSGUPXSA-N 2 2 276.424 3.253 20 0 CGADLP CCC[N@H+](CCCc1c[nH+]ccc1C)CC(F)F ZINC000289264369 197279669 /nfs/dbraw/zinc/27/96/69/197279669.db2.gz DJCFBOBOQXIXGQ-UHFFFAOYSA-N 2 2 256.340 3.300 20 0 CGADLP CCC[N@@H+](CCCc1c[nH+]ccc1C)CC(F)F ZINC000289264369 197279670 /nfs/dbraw/zinc/27/96/70/197279670.db2.gz DJCFBOBOQXIXGQ-UHFFFAOYSA-N 2 2 256.340 3.300 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000353851079 220366532 /nfs/dbraw/zinc/36/65/32/220366532.db2.gz RHRJWSFFKMBITQ-ZWKOTPCHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000353851079 220366535 /nfs/dbraw/zinc/36/65/35/220366535.db2.gz RHRJWSFFKMBITQ-ZWKOTPCHSA-N 2 2 288.435 3.071 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423314103 533132723 /nfs/dbraw/zinc/13/27/23/533132723.db2.gz GOHATIYTZZXGIP-OALUTQOASA-N 2 2 296.414 3.112 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297659167 542409907 /nfs/dbraw/zinc/40/99/07/542409907.db2.gz NUJPZHRFJQJZKQ-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297659167 542409909 /nfs/dbraw/zinc/40/99/09/542409909.db2.gz NUJPZHRFJQJZKQ-PBHICJAKSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000343989866 542503508 /nfs/dbraw/zinc/50/35/08/542503508.db2.gz POYFKTYPSWFFAX-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000343989866 542503511 /nfs/dbraw/zinc/50/35/11/542503511.db2.gz POYFKTYPSWFFAX-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348103495 542515618 /nfs/dbraw/zinc/51/56/18/542515618.db2.gz CJJOGACUGORHCZ-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348103495 542515623 /nfs/dbraw/zinc/51/56/23/542515623.db2.gz CJJOGACUGORHCZ-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348275126 542518213 /nfs/dbraw/zinc/51/82/13/542518213.db2.gz CAOJLIQUJCFJKN-KSZLIROESA-N 2 2 288.435 3.076 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000352467193 542553118 /nfs/dbraw/zinc/55/31/18/542553118.db2.gz XORUGKAYKSLUEG-UHFFFAOYSA-N 2 2 299.349 3.417 20 0 CGADLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000353914015 542560894 /nfs/dbraw/zinc/56/08/94/542560894.db2.gz KAPDKEKIYPVLLA-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000282441442 195609592 /nfs/dbraw/zinc/60/95/92/195609592.db2.gz UOAJQIWFLORJIP-UHFFFAOYSA-N 2 2 268.351 3.346 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccc(F)cc31)CCC2 ZINC000358990347 542578644 /nfs/dbraw/zinc/57/86/44/542578644.db2.gz OQMCWBLQGGEFBA-YOEHRIQHSA-N 2 2 299.393 3.485 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422799677 533333247 /nfs/dbraw/zinc/33/32/47/533333247.db2.gz XZPOLIRUUZUAPA-AUUYWEPGSA-N 2 2 298.430 3.469 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423287559 533351583 /nfs/dbraw/zinc/35/15/83/533351583.db2.gz MXXCREPWKYMVRK-MRVPVSSYSA-N 2 2 292.757 3.329 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423241312 533431711 /nfs/dbraw/zinc/43/17/11/533431711.db2.gz LHVRNLBQGZTVJL-WBMJQRKESA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cn1 ZINC000423268210 533511717 /nfs/dbraw/zinc/51/17/17/533511717.db2.gz ULFUYGOEWQZCKD-ABAIWWIYSA-N 2 2 281.831 3.293 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152809328 285417232 /nfs/dbraw/zinc/41/72/32/285417232.db2.gz TUSYEOKLWOBOGH-GOSISDBHSA-N 2 2 295.430 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1Br ZINC000424330478 533519795 /nfs/dbraw/zinc/51/97/95/533519795.db2.gz IDDMLLAAAKCHFU-LERXQTSPSA-N 2 2 297.240 3.370 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccn(C)n1 ZINC000414073175 533533527 /nfs/dbraw/zinc/53/35/27/533533527.db2.gz VSTRXOWBLDQKPV-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000449377190 533641119 /nfs/dbraw/zinc/64/11/19/533641119.db2.gz RSQCMKNCBCZOOV-DVHLICQRSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000449377190 533641127 /nfs/dbraw/zinc/64/11/27/533641127.db2.gz RSQCMKNCBCZOOV-DVHLICQRSA-N 2 2 290.426 3.377 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234246 542607213 /nfs/dbraw/zinc/60/72/13/542607213.db2.gz JHZOZGHZWGOAHV-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234246 542607214 /nfs/dbraw/zinc/60/72/14/542607214.db2.gz JHZOZGHZWGOAHV-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000390561478 542610611 /nfs/dbraw/zinc/61/06/11/542610611.db2.gz KIPMJWLKOHZXKR-XOYOTBSWSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000390561478 542610617 /nfs/dbraw/zinc/61/06/17/542610617.db2.gz KIPMJWLKOHZXKR-XOYOTBSWSA-N 2 2 272.436 3.285 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000391132585 542612347 /nfs/dbraw/zinc/61/23/47/542612347.db2.gz HBELIAWFQFWUAZ-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000391132585 542612351 /nfs/dbraw/zinc/61/23/51/542612351.db2.gz HBELIAWFQFWUAZ-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000391132583 542612858 /nfs/dbraw/zinc/61/28/58/542612858.db2.gz HBELIAWFQFWUAZ-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000391132583 542612862 /nfs/dbraw/zinc/61/28/62/542612862.db2.gz HBELIAWFQFWUAZ-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC2([NH+](C)C)CC2)C2CC2)cc1 ZINC000397932366 542618639 /nfs/dbraw/zinc/61/86/39/542618639.db2.gz QGCCHEGVQLTXGH-INIZCTEOSA-N 2 2 258.409 3.130 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000414925217 542641060 /nfs/dbraw/zinc/64/10/60/542641060.db2.gz LOELRQOHRXLIJS-QLFBSQMISA-N 2 2 282.378 3.112 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932169 391978193 /nfs/dbraw/zinc/97/81/93/391978193.db2.gz WVLKJIKXFYASMV-GJZGRUSLSA-N 2 2 287.451 3.465 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC000051790310 392073530 /nfs/dbraw/zinc/07/35/30/392073530.db2.gz WQRJFHDOHKWYDU-YRYLYKBFSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000049592550 392055148 /nfs/dbraw/zinc/05/51/48/392055148.db2.gz SINRXSQFSLRZDW-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000049592550 392055157 /nfs/dbraw/zinc/05/51/57/392055157.db2.gz SINRXSQFSLRZDW-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049574996 392055306 /nfs/dbraw/zinc/05/53/06/392055306.db2.gz YOKYZNGMONYQKU-KRWDZBQOSA-N 2 2 276.399 3.352 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2c[nH+]c[nH]2)o1 ZINC000093559107 392238744 /nfs/dbraw/zinc/23/87/44/392238744.db2.gz VUHWWTZNNJJOOH-CQSZACIVSA-N 2 2 259.353 3.428 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@H+]2Cc2c[nH+]c[nH]2)o1 ZINC000093559107 392238746 /nfs/dbraw/zinc/23/87/46/392238746.db2.gz VUHWWTZNNJJOOH-CQSZACIVSA-N 2 2 259.353 3.428 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H]1CCCO1 ZINC000361712692 392300951 /nfs/dbraw/zinc/30/09/51/392300951.db2.gz SROKFAUGXBUAQI-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H]1CCCO1 ZINC000361712692 392300957 /nfs/dbraw/zinc/30/09/57/392300957.db2.gz SROKFAUGXBUAQI-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCNc1cccc[nH+]1 ZINC000361931706 392368370 /nfs/dbraw/zinc/36/83/70/392368370.db2.gz YEDBLYUBRLCAQQ-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000362052682 392396213 /nfs/dbraw/zinc/39/62/13/392396213.db2.gz NMFSHARRVJMWRG-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000362052682 392396218 /nfs/dbraw/zinc/39/62/18/392396218.db2.gz NMFSHARRVJMWRG-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291650311 392476729 /nfs/dbraw/zinc/47/67/29/392476729.db2.gz CQPHHOPELYHZOJ-UHFFFAOYSA-N 2 2 290.329 3.094 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878618 392577316 /nfs/dbraw/zinc/57/73/16/392577316.db2.gz OZZPMIMWXRIPFB-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878618 392577321 /nfs/dbraw/zinc/57/73/21/392577321.db2.gz OZZPMIMWXRIPFB-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878618 392577324 /nfs/dbraw/zinc/57/73/24/392577324.db2.gz OZZPMIMWXRIPFB-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)CC[C@@H]21 ZINC000158878618 392577330 /nfs/dbraw/zinc/57/73/30/392577330.db2.gz OZZPMIMWXRIPFB-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP Cc1cccc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000302242365 392613418 /nfs/dbraw/zinc/61/34/18/392613418.db2.gz PAHQOCPTSFISQX-UMVBOHGHSA-N 2 2 261.413 3.168 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCC23CCCC3)c[nH+]1 ZINC000328262149 392674462 /nfs/dbraw/zinc/67/44/62/392674462.db2.gz LOMDMPHFCJJJEX-HNNXBMFYSA-N 2 2 261.413 3.366 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372724129 392629931 /nfs/dbraw/zinc/62/99/31/392629931.db2.gz DLYJSTATDVLFEV-AWEZNQCLSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372724129 392629934 /nfs/dbraw/zinc/62/99/34/392629934.db2.gz DLYJSTATDVLFEV-AWEZNQCLSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000647291359 392642500 /nfs/dbraw/zinc/64/25/00/392642500.db2.gz NEMMETIZDYWROF-WBAXXEDZSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000647291359 392642506 /nfs/dbraw/zinc/64/25/06/392642506.db2.gz NEMMETIZDYWROF-WBAXXEDZSA-N 2 2 287.451 3.241 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310752976 392660224 /nfs/dbraw/zinc/66/02/24/392660224.db2.gz KORZEWXHAVCLLN-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310752976 392660228 /nfs/dbraw/zinc/66/02/28/392660228.db2.gz KORZEWXHAVCLLN-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2cccnc12 ZINC000647554366 392769136 /nfs/dbraw/zinc/76/91/36/392769136.db2.gz XVBRCERZUKODBL-QGZVFWFLSA-N 2 2 295.430 3.308 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534015 392754617 /nfs/dbraw/zinc/75/46/17/392754617.db2.gz DOOAZFUWRNFWGA-HZPDHXFCSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534015 392754625 /nfs/dbraw/zinc/75/46/25/392754625.db2.gz DOOAZFUWRNFWGA-HZPDHXFCSA-N 2 2 250.430 3.031 20 0 CGADLP CSc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553545 392765984 /nfs/dbraw/zinc/76/59/84/392765984.db2.gz CPDHGXINSCLKFM-HNNXBMFYSA-N 2 2 276.449 3.173 20 0 CGADLP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000647844045 392810224 /nfs/dbraw/zinc/81/02/24/392810224.db2.gz OMLNPHMVCGSKQZ-DZGCQCFKSA-N 2 2 290.455 3.252 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918500 392819892 /nfs/dbraw/zinc/81/98/92/392819892.db2.gz FBZMFLUGNDRPFD-CRAIPNDOSA-N 2 2 290.451 3.151 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918500 392819895 /nfs/dbraw/zinc/81/98/95/392819895.db2.gz FBZMFLUGNDRPFD-CRAIPNDOSA-N 2 2 290.451 3.151 20 0 CGADLP Clc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886011 392827017 /nfs/dbraw/zinc/82/70/17/392827017.db2.gz CLDLGDIIXZIOGK-WFASDCNBSA-N 2 2 296.867 3.039 20 0 CGADLP Clc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886011 392827024 /nfs/dbraw/zinc/82/70/24/392827024.db2.gz CLDLGDIIXZIOGK-WFASDCNBSA-N 2 2 296.867 3.039 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(C)ccn1)CCC2 ZINC000375839592 392830288 /nfs/dbraw/zinc/83/02/88/392830288.db2.gz NFMDGSWPTWUNDB-LSDHHAIUSA-N 2 2 284.407 3.123 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000336103695 392834173 /nfs/dbraw/zinc/83/41/73/392834173.db2.gz UDGFNUGDNMAFKP-LBPRGKRZSA-N 2 2 296.201 3.295 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337989896 392895440 /nfs/dbraw/zinc/89/54/40/392895440.db2.gz RRWMBJRYWXTKTL-HDEZJCGLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337989896 392895446 /nfs/dbraw/zinc/89/54/46/392895446.db2.gz RRWMBJRYWXTKTL-HDEZJCGLSA-N 2 2 264.457 3.418 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)C1CC1 ZINC000381522999 392908961 /nfs/dbraw/zinc/90/89/61/392908961.db2.gz NEAVCQSGUGFLGP-PBMMVSLJSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)C1CC1 ZINC000381522999 392908968 /nfs/dbraw/zinc/90/89/68/392908968.db2.gz NEAVCQSGUGFLGP-PBMMVSLJSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382079370 392916885 /nfs/dbraw/zinc/91/68/85/392916885.db2.gz HWTVDUCKCMBAHA-UBIAHUHOSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382079370 392916891 /nfs/dbraw/zinc/91/68/91/392916891.db2.gz HWTVDUCKCMBAHA-UBIAHUHOSA-N 2 2 262.441 3.028 20 0 CGADLP c1cn(CC[NH2+]CC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000194745648 392936886 /nfs/dbraw/zinc/93/68/86/392936886.db2.gz OOXHTKRNRLJVGK-UHFFFAOYSA-N 2 2 291.398 3.305 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000515343621 542735016 /nfs/dbraw/zinc/73/50/16/542735016.db2.gz SACMSQISZRJKDS-FZKCQIBNSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000515343621 542735021 /nfs/dbraw/zinc/73/50/21/542735021.db2.gz SACMSQISZRJKDS-FZKCQIBNSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)C1 ZINC000343642928 393030469 /nfs/dbraw/zinc/03/04/69/393030469.db2.gz QDOQROIFRBJDHW-VNQPRFMTSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)C1 ZINC000343642928 393030472 /nfs/dbraw/zinc/03/04/72/393030472.db2.gz QDOQROIFRBJDHW-VNQPRFMTSA-N 2 2 258.409 3.210 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000221142890 393006608 /nfs/dbraw/zinc/00/66/08/393006608.db2.gz NTNHZWDARJQPRJ-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000221142890 393006613 /nfs/dbraw/zinc/00/66/13/393006613.db2.gz NTNHZWDARJQPRJ-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204770 393008617 /nfs/dbraw/zinc/00/86/17/393008617.db2.gz AYJVUERQBWXVRC-HLLBOEOZSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@H](CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204770 393008627 /nfs/dbraw/zinc/00/86/27/393008627.db2.gz AYJVUERQBWXVRC-HLLBOEOZSA-N 2 2 260.425 3.382 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415042125 393108836 /nfs/dbraw/zinc/10/88/36/393108836.db2.gz MDINIMYDEAYIBE-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415042125 393108843 /nfs/dbraw/zinc/10/88/43/393108843.db2.gz MDINIMYDEAYIBE-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000346684570 393092433 /nfs/dbraw/zinc/09/24/33/393092433.db2.gz HBFICEUUGKKMHZ-HNNXBMFYSA-N 2 2 284.403 3.160 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000346684570 393092441 /nfs/dbraw/zinc/09/24/41/393092441.db2.gz HBFICEUUGKKMHZ-HNNXBMFYSA-N 2 2 284.403 3.160 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415024226 393101831 /nfs/dbraw/zinc/10/18/31/393101831.db2.gz YKTQMVTYOWFKEW-UONOGXRCSA-N 2 2 284.403 3.188 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541432 393105339 /nfs/dbraw/zinc/10/53/39/393105339.db2.gz GTGFFKDMKIXGMS-YOEHRIQHSA-N 2 2 262.441 3.339 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541432 393105346 /nfs/dbraw/zinc/10/53/46/393105346.db2.gz GTGFFKDMKIXGMS-YOEHRIQHSA-N 2 2 262.441 3.339 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467550509 393105485 /nfs/dbraw/zinc/10/54/85/393105485.db2.gz KUIFVUAMGFOPBE-CQSZACIVSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414749629 393054079 /nfs/dbraw/zinc/05/40/79/393054079.db2.gz WKTKMDINQYFPOH-OLZOCXBDSA-N 2 2 282.378 3.128 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414749629 393054084 /nfs/dbraw/zinc/05/40/84/393054084.db2.gz WKTKMDINQYFPOH-OLZOCXBDSA-N 2 2 282.378 3.128 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414953302 393060684 /nfs/dbraw/zinc/06/06/84/393060684.db2.gz LOQFWVCJWCHNFR-BBRMVZONSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414953462 393061422 /nfs/dbraw/zinc/06/14/22/393061422.db2.gz RSQMBCCSGNDRIY-JSGCOSHPSA-N 2 2 287.432 3.040 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414959561 393067700 /nfs/dbraw/zinc/06/77/00/393067700.db2.gz SNQCNXXRPLKFAX-ICSRJNTNSA-N 2 2 292.426 3.021 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414980651 393077648 /nfs/dbraw/zinc/07/76/48/393077648.db2.gz ARDDCXSRKZKFEQ-KRWDZBQOSA-N 2 2 284.403 3.189 20 0 CGADLP Fc1ccccc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000468915573 393167510 /nfs/dbraw/zinc/16/75/10/393167510.db2.gz IFQOMMJDKOZTHX-UHFFFAOYSA-N 2 2 290.426 3.319 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157887 393184073 /nfs/dbraw/zinc/18/40/73/393184073.db2.gz MQELZWVFNQKNHG-SOLBZPMBSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157887 393184081 /nfs/dbraw/zinc/18/40/81/393184081.db2.gz MQELZWVFNQKNHG-SOLBZPMBSA-N 2 2 286.463 3.427 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)co2)cc1 ZINC000415048233 393112861 /nfs/dbraw/zinc/11/28/61/393112861.db2.gz FYPFMLAKUZSALZ-HNNXBMFYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1 ZINC000415054436 393116961 /nfs/dbraw/zinc/11/69/61/393116961.db2.gz PXEZPWDGHOZKIM-RBUKOAKNSA-N 2 2 280.415 3.149 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071389 393128279 /nfs/dbraw/zinc/12/82/79/393128279.db2.gz SXVFYPPZHMXZKH-CYBMUJFWSA-N 2 2 279.453 3.032 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1CCCC1 ZINC000415073882 393130172 /nfs/dbraw/zinc/13/01/72/393130172.db2.gz ZZAXGECKMITWNF-OAHLLOKOSA-N 2 2 276.355 3.179 20 0 CGADLP CCc1ncc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)s1 ZINC000415073540 393130220 /nfs/dbraw/zinc/13/02/20/393130220.db2.gz ZLZQKZODAFRQBO-HNNXBMFYSA-N 2 2 289.448 3.058 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)CC[NH3+] ZINC000415106101 393147618 /nfs/dbraw/zinc/14/76/18/393147618.db2.gz JEFGCJJKZLCVEO-VMPITWQZSA-N 2 2 296.414 3.169 20 0 CGADLP C[N@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)CC[NH3+] ZINC000415106101 393147626 /nfs/dbraw/zinc/14/76/26/393147626.db2.gz JEFGCJJKZLCVEO-VMPITWQZSA-N 2 2 296.414 3.169 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415115122 393149230 /nfs/dbraw/zinc/14/92/30/393149230.db2.gz UIMJCAUKMLRFQV-KBPBESRZSA-N 2 2 264.413 3.028 20 0 CGADLP CCCC[C@@H](COC)[NH2+]CCCCNc1cccc[nH+]1 ZINC000268894790 393206485 /nfs/dbraw/zinc/20/64/85/393206485.db2.gz ZRWKRUMWBJASBF-HNNXBMFYSA-N 2 2 279.428 3.069 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777853 393326163 /nfs/dbraw/zinc/32/61/63/393326163.db2.gz XCTQELCBFIDILP-WBVHZDCISA-N 2 2 269.392 3.070 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777853 393326169 /nfs/dbraw/zinc/32/61/69/393326169.db2.gz XCTQELCBFIDILP-WBVHZDCISA-N 2 2 269.392 3.070 20 0 CGADLP CSC1(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134000 393360719 /nfs/dbraw/zinc/36/07/19/393360719.db2.gz YADNOFUUIUSZFO-KBPBESRZSA-N 2 2 279.453 3.052 20 0 CGADLP CSC1(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134000 393360722 /nfs/dbraw/zinc/36/07/22/393360722.db2.gz YADNOFUUIUSZFO-KBPBESRZSA-N 2 2 279.453 3.052 20 0 CGADLP FC1(F)CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000647179033 393372767 /nfs/dbraw/zinc/37/27/67/393372767.db2.gz YHPHRXPGWJSOIF-UHFFFAOYSA-N 2 2 283.366 3.441 20 0 CGADLP c1nc(C[N@H+](C2CC2)C2CC[NH2+]CC2)oc1-c1ccccc1 ZINC000649408930 393413758 /nfs/dbraw/zinc/41/37/58/393413758.db2.gz JYHZRAXYRJIFIO-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP c1nc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)oc1-c1ccccc1 ZINC000649408930 393413762 /nfs/dbraw/zinc/41/37/62/393413762.db2.gz JYHZRAXYRJIFIO-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)[C@H]3CC3(C)C)cn21 ZINC000647262588 393421147 /nfs/dbraw/zinc/42/11/47/393421147.db2.gz FUSCRLZYLDJQCQ-UKRRQHHQSA-N 2 2 271.408 3.209 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000479850267 393434498 /nfs/dbraw/zinc/43/44/98/393434498.db2.gz GXSYICVLUGTQON-ZMSDIMECSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)c1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(C(C)C)[nH+]1 ZINC000420232229 393440292 /nfs/dbraw/zinc/44/02/92/393440292.db2.gz BODBVAXJDJBYKP-OKILXGFUSA-N 2 2 288.439 3.054 20 0 CGADLP CC(C)c1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235174 393441758 /nfs/dbraw/zinc/44/17/58/393441758.db2.gz OJYBNTIUZWGION-OLZOCXBDSA-N 2 2 290.455 3.071 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)[NH3+] ZINC000420302374 393454903 /nfs/dbraw/zinc/45/49/03/393454903.db2.gz JTUTXRNXHVIVCC-VIFPVBQESA-N 2 2 261.196 3.163 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)[NH3+] ZINC000420302374 393454907 /nfs/dbraw/zinc/45/49/07/393454907.db2.gz JTUTXRNXHVIVCC-VIFPVBQESA-N 2 2 261.196 3.163 20 0 CGADLP CCC[N@H+](Cc1c(Cl)cccc1OC)C1CC[NH2+]CC1 ZINC000420318643 393463301 /nfs/dbraw/zinc/46/33/01/393463301.db2.gz OFKXXVWYOAZRFF-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CCC[N@@H+](Cc1c(Cl)cccc1OC)C1CC[NH2+]CC1 ZINC000420318643 393463304 /nfs/dbraw/zinc/46/33/04/393463304.db2.gz OFKXXVWYOAZRFF-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000647248663 393410705 /nfs/dbraw/zinc/41/07/05/393410705.db2.gz QJYLHWYGYDAFMI-WOVMCDHWSA-N 2 2 299.418 3.308 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488428307 393509585 /nfs/dbraw/zinc/50/95/85/393509585.db2.gz ATICWZCYDHJOPN-RRFJBIMHSA-N 2 2 284.513 3.371 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065875 393515686 /nfs/dbraw/zinc/51/56/86/393515686.db2.gz JVFIPCMGTLCIEJ-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065875 393515692 /nfs/dbraw/zinc/51/56/92/393515692.db2.gz JVFIPCMGTLCIEJ-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065875 393515698 /nfs/dbraw/zinc/51/56/98/393515698.db2.gz JVFIPCMGTLCIEJ-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065875 393515704 /nfs/dbraw/zinc/51/57/04/393515704.db2.gz JVFIPCMGTLCIEJ-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488446143 393517321 /nfs/dbraw/zinc/51/73/21/393517321.db2.gz SYGXLBCDBPAWFJ-UKRRQHHQSA-N 2 2 276.399 3.036 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)O1 ZINC000420954495 393555654 /nfs/dbraw/zinc/55/56/54/393555654.db2.gz KAMIRUYNVIDYAT-HDICACEKSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)O1 ZINC000420954495 393555660 /nfs/dbraw/zinc/55/56/60/393555660.db2.gz KAMIRUYNVIDYAT-HDICACEKSA-N 2 2 299.418 3.262 20 0 CGADLP FC(F)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000420995052 393568436 /nfs/dbraw/zinc/56/84/36/393568436.db2.gz OEMPRUYANCLWHO-CQSZACIVSA-N 2 2 279.334 3.259 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666770603 542814242 /nfs/dbraw/zinc/81/42/42/542814242.db2.gz MHUJRRYCSRTPOA-AWEZNQCLSA-N 2 2 264.438 3.030 20 0 CGADLP C[C@H](CNc1cc[nH+]c2c(Cl)cccc12)C[NH+](C)C ZINC000489022187 393571322 /nfs/dbraw/zinc/57/13/22/393571322.db2.gz GGZUAZMLPUAJFU-LLVKDONJSA-N 2 2 277.799 3.498 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319482 393679411 /nfs/dbraw/zinc/67/94/11/393679411.db2.gz DLOKTMWPZWHMHR-KUHUBIRLSA-N 2 2 284.447 3.138 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319482 393679413 /nfs/dbraw/zinc/67/94/13/393679413.db2.gz DLOKTMWPZWHMHR-KUHUBIRLSA-N 2 2 284.447 3.138 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)Cc3cccc(O)c3)c[nH+]c12 ZINC000360944048 393620545 /nfs/dbraw/zinc/62/05/45/393620545.db2.gz KKUCPCBMUOABCD-AWEZNQCLSA-N 2 2 295.386 3.069 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964462 393626477 /nfs/dbraw/zinc/62/64/77/393626477.db2.gz RZUVRQRIRPDUSA-CJNGLKHVSA-N 2 2 282.391 3.032 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964462 393626478 /nfs/dbraw/zinc/62/64/78/393626478.db2.gz RZUVRQRIRPDUSA-CJNGLKHVSA-N 2 2 282.391 3.032 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422784968 393642161 /nfs/dbraw/zinc/64/21/61/393642161.db2.gz QKMLHQGHYKCKIB-KBPBESRZSA-N 2 2 286.341 3.326 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666910401 542825089 /nfs/dbraw/zinc/82/50/89/542825089.db2.gz AACGGWILBLSZHC-GFCCVEGCSA-N 2 2 267.442 3.018 20 0 CGADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000423111484 393652381 /nfs/dbraw/zinc/65/23/81/393652381.db2.gz WBNPWZUKDQHJAU-DOMZBBRYSA-N 2 2 296.842 3.359 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423239470 393656251 /nfs/dbraw/zinc/65/62/51/393656251.db2.gz RYVWEOLWTBJFNL-ZFWWWQNUSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423269084 393657585 /nfs/dbraw/zinc/65/75/85/393657585.db2.gz GZYRXCLBZZENDU-OCCSQVGLSA-N 2 2 260.381 3.375 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCCF)C[N@H+](Cc2ccccc2)C1 ZINC000361058547 393660131 /nfs/dbraw/zinc/66/01/31/393660131.db2.gz FUCKAIHIYDPXNF-NVXWUHKLSA-N 2 2 278.415 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCCF)C[N@@H+](Cc2ccccc2)C1 ZINC000361058547 393660135 /nfs/dbraw/zinc/66/01/35/393660135.db2.gz FUCKAIHIYDPXNF-NVXWUHKLSA-N 2 2 278.415 3.236 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000491054580 393664753 /nfs/dbraw/zinc/66/47/53/393664753.db2.gz QRNYVICWPYGCCB-GDBMZVCRSA-N 2 2 280.481 3.343 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423481942 393670259 /nfs/dbraw/zinc/67/02/59/393670259.db2.gz XAJHDOFHUWZJTR-ZFWWWQNUSA-N 2 2 250.386 3.146 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000443427459 393756619 /nfs/dbraw/zinc/75/66/19/393756619.db2.gz GKIXZYRHENQZRM-GJZGRUSLSA-N 2 2 285.366 3.413 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443427459 393756621 /nfs/dbraw/zinc/75/66/21/393756621.db2.gz GKIXZYRHENQZRM-GJZGRUSLSA-N 2 2 285.366 3.413 20 0 CGADLP CCSCC[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443787980 393771908 /nfs/dbraw/zinc/77/19/08/393771908.db2.gz JYBUQAYURYVFPK-HOCLYGCPSA-N 2 2 280.481 3.329 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950653 393865200 /nfs/dbraw/zinc/86/52/00/393865200.db2.gz UHFYYKQRLMVOMJ-DOMZBBRYSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950653 393865205 /nfs/dbraw/zinc/86/52/05/393865205.db2.gz UHFYYKQRLMVOMJ-DOMZBBRYSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C)c[nH+]1 ZINC000449582383 393913653 /nfs/dbraw/zinc/91/36/53/393913653.db2.gz FXNWXKLZPYGFRV-MRXNPFEDSA-N 2 2 278.440 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H](CO)CC(C)(C)C)c[nH+]1 ZINC000449582383 393913658 /nfs/dbraw/zinc/91/36/58/393913658.db2.gz FXNWXKLZPYGFRV-MRXNPFEDSA-N 2 2 278.440 3.052 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997155 542835041 /nfs/dbraw/zinc/83/50/41/542835041.db2.gz ZHSSHDCEKAEXFU-LBPRGKRZSA-N 2 2 282.790 3.243 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565622 394019617 /nfs/dbraw/zinc/01/96/17/394019617.db2.gz KYFUPTMDEARLCA-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565622 394019622 /nfs/dbraw/zinc/01/96/22/394019622.db2.gz KYFUPTMDEARLCA-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565622 394019626 /nfs/dbraw/zinc/01/96/26/394019626.db2.gz KYFUPTMDEARLCA-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565622 394019629 /nfs/dbraw/zinc/01/96/29/394019629.db2.gz KYFUPTMDEARLCA-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450286188 393993378 /nfs/dbraw/zinc/99/33/78/393993378.db2.gz LOTNWPKQONKQLM-HOTGVXAUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450286188 393993380 /nfs/dbraw/zinc/99/33/80/393993380.db2.gz LOTNWPKQONKQLM-HOTGVXAUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450286188 393993383 /nfs/dbraw/zinc/99/33/83/393993383.db2.gz LOTNWPKQONKQLM-HOTGVXAUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450286188 393993389 /nfs/dbraw/zinc/99/33/89/393993389.db2.gz LOTNWPKQONKQLM-HOTGVXAUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCC2)C1 ZINC000450487506 394003187 /nfs/dbraw/zinc/00/31/87/394003187.db2.gz VDUZIAASYIEMHC-OAHLLOKOSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCC2)C1 ZINC000450487506 394003190 /nfs/dbraw/zinc/00/31/90/394003190.db2.gz VDUZIAASYIEMHC-OAHLLOKOSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC2(CCC2)C1 ZINC000450487506 394003192 /nfs/dbraw/zinc/00/31/92/394003192.db2.gz VDUZIAASYIEMHC-OAHLLOKOSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC2(CCC2)C1 ZINC000450487506 394003195 /nfs/dbraw/zinc/00/31/95/394003195.db2.gz VDUZIAASYIEMHC-OAHLLOKOSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667493024 542875689 /nfs/dbraw/zinc/87/56/89/542875689.db2.gz FGRWOKGDCXIMTD-NSHDSACASA-N 2 2 291.345 3.301 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667493024 542875691 /nfs/dbraw/zinc/87/56/91/542875691.db2.gz FGRWOKGDCXIMTD-NSHDSACASA-N 2 2 291.345 3.301 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000453080378 394164016 /nfs/dbraw/zinc/16/40/16/394164016.db2.gz LMWCQKGTOIBWDU-HZPDHXFCSA-N 2 2 294.487 3.310 20 0 CGADLP c1c(CC[NH2+][C@@H](C2CC2)C2CCC2)[nH+]c2ccccn12 ZINC000453082027 394165037 /nfs/dbraw/zinc/16/50/37/394165037.db2.gz MOKSLDAONQFPNX-QGZVFWFLSA-N 2 2 269.392 3.045 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC000453101483 394172015 /nfs/dbraw/zinc/17/20/15/394172015.db2.gz YHAJKEFIFMUUCP-GDBMZVCRSA-N 2 2 296.480 3.064 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2sccc21 ZINC000453206878 394205184 /nfs/dbraw/zinc/20/51/84/394205184.db2.gz VMOKCEMYTXYORB-YRGRVCCFSA-N 2 2 287.432 3.488 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667494468 542876990 /nfs/dbraw/zinc/87/69/90/542876990.db2.gz BRJCEWOEIOCEDE-KRWDZBQOSA-N 2 2 281.403 3.475 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667494468 542876993 /nfs/dbraw/zinc/87/69/93/542876993.db2.gz BRJCEWOEIOCEDE-KRWDZBQOSA-N 2 2 281.403 3.475 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667493567 542876064 /nfs/dbraw/zinc/87/60/64/542876064.db2.gz WMFZGRHVUWZMIZ-MRXNPFEDSA-N 2 2 285.366 3.306 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667493567 542876067 /nfs/dbraw/zinc/87/60/67/542876067.db2.gz WMFZGRHVUWZMIZ-MRXNPFEDSA-N 2 2 285.366 3.306 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOCC1CCCC1 ZINC000453587183 394251245 /nfs/dbraw/zinc/25/12/45/394251245.db2.gz RIJOHRJNRHVIBA-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccsc2)n1C ZINC000667503336 542880252 /nfs/dbraw/zinc/88/02/52/542880252.db2.gz INHLVFFCWZXQQX-AWEZNQCLSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccsc2)n1C ZINC000667503336 542880254 /nfs/dbraw/zinc/88/02/54/542880254.db2.gz INHLVFFCWZXQQX-AWEZNQCLSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)n1C ZINC000667503193 542880465 /nfs/dbraw/zinc/88/04/65/542880465.db2.gz CEAZBIKUJFEWNI-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)n1C ZINC000667503193 542880468 /nfs/dbraw/zinc/88/04/68/542880468.db2.gz CEAZBIKUJFEWNI-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP CC[C@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000271511054 135098941 /nfs/dbraw/zinc/09/89/41/135098941.db2.gz LUDCIQVACKCFDF-AWEZNQCLSA-N 2 2 290.455 3.070 20 0 CGADLP Fc1ccc(C[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667642675 542902386 /nfs/dbraw/zinc/90/23/86/542902386.db2.gz GZEKYFHEYXHLPK-HNNXBMFYSA-N 2 2 299.393 3.033 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)n1C ZINC000667648104 542904256 /nfs/dbraw/zinc/90/42/56/542904256.db2.gz LVMDKFQYQMXRRH-UHFFFAOYSA-N 2 2 287.382 3.280 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)n1C ZINC000667648104 542904258 /nfs/dbraw/zinc/90/42/58/542904258.db2.gz LVMDKFQYQMXRRH-UHFFFAOYSA-N 2 2 287.382 3.280 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000667663850 542910586 /nfs/dbraw/zinc/91/05/86/542910586.db2.gz YBNUGXACMJBSLZ-INIZCTEOSA-N 2 2 297.446 3.394 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc21 ZINC000667663850 542910588 /nfs/dbraw/zinc/91/05/88/542910588.db2.gz YBNUGXACMJBSLZ-INIZCTEOSA-N 2 2 297.446 3.394 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667934935 542946929 /nfs/dbraw/zinc/94/69/29/542946929.db2.gz YWMUPWVZTNHUAE-ILXRZTDVSA-N 2 2 283.419 3.284 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000668154010 542976633 /nfs/dbraw/zinc/97/66/33/542976633.db2.gz BQMBAGBQPGRSHV-USXIJHARSA-N 2 2 260.425 3.171 20 0 CGADLP CC(C)CC1(C)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668174900 542982012 /nfs/dbraw/zinc/98/20/12/542982012.db2.gz CQXCCVPVUKPWPJ-UHFFFAOYSA-N 2 2 275.440 3.478 20 0 CGADLP C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668281004 543001473 /nfs/dbraw/zinc/00/14/73/543001473.db2.gz KFEUPPBSFRSMCK-GOSISDBHSA-N 2 2 299.393 3.132 20 0 CGADLP C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668281004 543001475 /nfs/dbraw/zinc/00/14/75/543001475.db2.gz KFEUPPBSFRSMCK-GOSISDBHSA-N 2 2 299.393 3.132 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000423378333 285622480 /nfs/dbraw/zinc/62/24/80/285622480.db2.gz KUJNIWDWCHAYQA-DOMZBBRYSA-N 2 2 294.464 3.210 20 0 CGADLP CCCC1CCC(C[N@H+](C)CC2C[NH+](C)C2)CC1 ZINC000668538719 543025157 /nfs/dbraw/zinc/02/51/57/543025157.db2.gz AUZLEWZZZAMFAH-UHFFFAOYSA-N 2 2 252.446 3.086 20 0 CGADLP CCCC1CCC(C[N@@H+](C)CC2C[NH+](C)C2)CC1 ZINC000668538719 543025158 /nfs/dbraw/zinc/02/51/58/543025158.db2.gz AUZLEWZZZAMFAH-UHFFFAOYSA-N 2 2 252.446 3.086 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC2(CCC2)C1 ZINC000668616199 543035689 /nfs/dbraw/zinc/03/56/89/543035689.db2.gz ILKSULZYQVRQCA-AWEZNQCLSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668682625 543044802 /nfs/dbraw/zinc/04/48/02/543044802.db2.gz LDQRBZLESWKQOY-BLDCVEFLSA-N 2 2 294.389 3.285 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668682625 543044804 /nfs/dbraw/zinc/04/48/04/543044804.db2.gz LDQRBZLESWKQOY-BLDCVEFLSA-N 2 2 294.389 3.285 20 0 CGADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000669681824 543116682 /nfs/dbraw/zinc/11/66/82/543116682.db2.gz LBHGJBAFIWLTFN-NEWSRXKRSA-N 2 2 299.462 3.182 20 0 CGADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000669681824 543116684 /nfs/dbraw/zinc/11/66/84/543116684.db2.gz LBHGJBAFIWLTFN-NEWSRXKRSA-N 2 2 299.462 3.182 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000671304308 543168745 /nfs/dbraw/zinc/16/87/45/543168745.db2.gz ALSJAESTGSKIQZ-LESCRADOSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)C[C@@H]1C ZINC000672243152 543205369 /nfs/dbraw/zinc/20/53/69/543205369.db2.gz VLOAKSPAMNAFAB-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)C[C@@H]1C ZINC000672243152 543205372 /nfs/dbraw/zinc/20/53/72/543205372.db2.gz VLOAKSPAMNAFAB-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000674070671 543266667 /nfs/dbraw/zinc/26/66/67/543266667.db2.gz RKIHZICCMLTAPU-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684903 397619601 /nfs/dbraw/zinc/61/96/01/397619601.db2.gz SOSAJGBRQHLMCG-SMDDNHRTSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684903 397619603 /nfs/dbraw/zinc/61/96/03/397619603.db2.gz SOSAJGBRQHLMCG-SMDDNHRTSA-N 2 2 264.800 3.227 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044684659 397619660 /nfs/dbraw/zinc/61/96/60/397619660.db2.gz YIFXPZAGBQECAG-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044684659 397619661 /nfs/dbraw/zinc/61/96/61/397619661.db2.gz YIFXPZAGBQECAG-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070946314 397639593 /nfs/dbraw/zinc/63/95/93/397639593.db2.gz XCKGBFNKIKGLTA-CQSZACIVSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070946314 397639595 /nfs/dbraw/zinc/63/95/95/397639595.db2.gz XCKGBFNKIKGLTA-CQSZACIVSA-N 2 2 255.365 3.247 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000390654158 397692332 /nfs/dbraw/zinc/69/23/32/397692332.db2.gz OIHXPNPJIGXDJI-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390654158 397692335 /nfs/dbraw/zinc/69/23/35/397692335.db2.gz OIHXPNPJIGXDJI-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CCc1cc[nH+]cc1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000650243313 397808390 /nfs/dbraw/zinc/80/83/90/397808390.db2.gz UDZCWUPCSWUUGG-UHFFFAOYSA-N 2 2 299.418 3.197 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000674304016 543280387 /nfs/dbraw/zinc/28/03/87/543280387.db2.gz IUMFBYZXKLOXKI-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000674304016 543280390 /nfs/dbraw/zinc/28/03/90/543280390.db2.gz IUMFBYZXKLOXKI-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000277043786 292125620 /nfs/dbraw/zinc/12/56/20/292125620.db2.gz BYCSJFHJBXJQFL-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@@H](OCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742180 397905009 /nfs/dbraw/zinc/90/50/09/397905009.db2.gz SINOBCWFLJOGTE-RYQLBKOJSA-N 2 2 290.451 3.275 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000675765624 543361752 /nfs/dbraw/zinc/36/17/52/543361752.db2.gz CANAELXOLXPSKL-GVDBMIGSSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000675765624 543361756 /nfs/dbraw/zinc/36/17/56/543361756.db2.gz CANAELXOLXPSKL-GVDBMIGSSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423378731 296582616 /nfs/dbraw/zinc/58/26/16/296582616.db2.gz ZRBMTXZFRXTUGM-DNIRFERGSA-N 2 2 282.478 3.261 20 0 CGADLP CC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920897 543373829 /nfs/dbraw/zinc/37/38/29/543373829.db2.gz LCCGPLFOFHVHCW-HIFRSBDPSA-N 2 2 257.381 3.092 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000361219417 292169581 /nfs/dbraw/zinc/16/95/81/292169581.db2.gz CTVYKXCWUIBZHU-QLPKVWCKSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805835 543466450 /nfs/dbraw/zinc/46/64/50/543466450.db2.gz QNUYLEDGLBIYQR-ZBFHGGJFSA-N 2 2 260.425 3.428 20 0 CGADLP CC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805835 543466453 /nfs/dbraw/zinc/46/64/53/543466453.db2.gz QNUYLEDGLBIYQR-ZBFHGGJFSA-N 2 2 260.425 3.428 20 0 CGADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678272562 543507492 /nfs/dbraw/zinc/50/74/92/543507492.db2.gz DEJIBPSGLRNRQA-HNNXBMFYSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678272562 543507494 /nfs/dbraw/zinc/50/74/94/543507494.db2.gz DEJIBPSGLRNRQA-HNNXBMFYSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678272562 543507496 /nfs/dbraw/zinc/50/74/96/543507496.db2.gz DEJIBPSGLRNRQA-HNNXBMFYSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000678272562 543507498 /nfs/dbraw/zinc/50/74/98/543507498.db2.gz DEJIBPSGLRNRQA-HNNXBMFYSA-N 2 2 298.434 3.013 20 0 CGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]cc1F ZINC000678788086 543558335 /nfs/dbraw/zinc/55/83/35/543558335.db2.gz DSYZHGQNBMVHES-UHFFFAOYSA-N 2 2 287.382 3.095 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]cc1F ZINC000678788086 543558337 /nfs/dbraw/zinc/55/83/37/543558337.db2.gz DSYZHGQNBMVHES-UHFFFAOYSA-N 2 2 287.382 3.095 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678822882 543563498 /nfs/dbraw/zinc/56/34/98/543563498.db2.gz KBSGPXLMQILCHE-WBVHZDCISA-N 2 2 299.418 3.332 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678822882 543563501 /nfs/dbraw/zinc/56/35/01/543563501.db2.gz KBSGPXLMQILCHE-WBVHZDCISA-N 2 2 299.418 3.332 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678911211 543571727 /nfs/dbraw/zinc/57/17/27/543571727.db2.gz UJPSBEVUYNKBOI-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678911211 543571729 /nfs/dbraw/zinc/57/17/29/543571729.db2.gz UJPSBEVUYNKBOI-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000554091130 289257641 /nfs/dbraw/zinc/25/76/41/289257641.db2.gz CLIGEMXPBZDZMW-CABCVRRESA-N 2 2 266.816 3.127 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000340210496 292255124 /nfs/dbraw/zinc/25/51/24/292255124.db2.gz RRKFWCCQKOJBDK-RYQLBKOJSA-N 2 2 290.451 3.145 20 0 CGADLP COCCC[N@H+](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352841576 292338943 /nfs/dbraw/zinc/33/89/43/292338943.db2.gz UHCBIDNRHXHMDX-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352841576 292338944 /nfs/dbraw/zinc/33/89/44/292338944.db2.gz UHCBIDNRHXHMDX-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP CC1(C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077382482 287039112 /nfs/dbraw/zinc/03/91/12/287039112.db2.gz WCXHAKFSAYBYOB-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP CC1(C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077382482 287039113 /nfs/dbraw/zinc/03/91/13/287039113.db2.gz WCXHAKFSAYBYOB-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@H](CC1CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070101235 165054425 /nfs/dbraw/zinc/05/44/25/165054425.db2.gz ULUDVKABQVLLSH-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)C12CCCCC2 ZINC000087300603 165187374 /nfs/dbraw/zinc/18/73/74/165187374.db2.gz GGTFDEBLZOLGRQ-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C12CCCCC2 ZINC000087300603 165187375 /nfs/dbraw/zinc/18/73/75/165187375.db2.gz GGTFDEBLZOLGRQ-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000088454800 165194081 /nfs/dbraw/zinc/19/40/81/165194081.db2.gz GCJXFMMLTYTTAB-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCC3CC3)C2)cc1 ZINC000088454800 165194085 /nfs/dbraw/zinc/19/40/85/165194085.db2.gz GCJXFMMLTYTTAB-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000090050928 165225845 /nfs/dbraw/zinc/22/58/45/165225845.db2.gz PTGQSPIAFJRRNP-SQWLQELKSA-N 2 2 283.419 3.284 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091347394 165260957 /nfs/dbraw/zinc/26/09/57/165260957.db2.gz XLCOKTOTYMOGFT-SFHVURJKSA-N 2 2 290.451 3.004 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091347394 165260962 /nfs/dbraw/zinc/26/09/62/165260962.db2.gz XLCOKTOTYMOGFT-SFHVURJKSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1nccs1 ZINC000091725133 165267380 /nfs/dbraw/zinc/26/73/80/165267380.db2.gz WBTQHDYMBUUYGH-NSHDSACASA-N 2 2 293.411 3.195 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648716 165307063 /nfs/dbraw/zinc/30/70/63/165307063.db2.gz PBFLGOPBNQKANP-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP CC1CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000092659328 165307269 /nfs/dbraw/zinc/30/72/69/165307269.db2.gz ZYIAQAQFFIXVNM-UHFFFAOYSA-N 2 2 261.413 3.346 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC000093659885 165332906 /nfs/dbraw/zinc/33/29/06/165332906.db2.gz YQTWLBHINBKMBF-INIZCTEOSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC000093659885 165332910 /nfs/dbraw/zinc/33/29/10/165332910.db2.gz YQTWLBHINBKMBF-INIZCTEOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(F)cc(F)c1 ZINC000093659885 165332915 /nfs/dbraw/zinc/33/29/15/165332915.db2.gz YQTWLBHINBKMBF-INIZCTEOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)cc(F)c1 ZINC000093659885 165332920 /nfs/dbraw/zinc/33/29/20/165332920.db2.gz YQTWLBHINBKMBF-INIZCTEOSA-N 2 2 282.378 3.271 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873165 165338426 /nfs/dbraw/zinc/33/84/26/165338426.db2.gz GYQCFARDBOGMKK-NSHDSACASA-N 2 2 299.256 3.427 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873165 165338429 /nfs/dbraw/zinc/33/84/29/165338429.db2.gz GYQCFARDBOGMKK-NSHDSACASA-N 2 2 299.256 3.427 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000094797569 165392715 /nfs/dbraw/zinc/39/27/15/165392715.db2.gz DTSOPNDMEAKMOR-PBHICJAKSA-N 2 2 285.391 3.092 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123051927 287215529 /nfs/dbraw/zinc/21/55/29/287215529.db2.gz ICLBIYPFJDVOEN-HZPDHXFCSA-N 2 2 260.425 3.110 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123051927 287215530 /nfs/dbraw/zinc/21/55/30/287215530.db2.gz ICLBIYPFJDVOEN-HZPDHXFCSA-N 2 2 260.425 3.110 20 0 CGADLP CC1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000284315292 196028678 /nfs/dbraw/zinc/02/86/78/196028678.db2.gz ZMWNGYJPHKATHY-QGZVFWFLSA-N 2 2 285.435 3.134 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)c(C)s1 ZINC000020127081 171012286 /nfs/dbraw/zinc/01/22/86/171012286.db2.gz VBOKGOHVDCKXKX-GFCCVEGCSA-N 2 2 252.427 3.111 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1c(F)cccc1F ZINC000020128764 171016745 /nfs/dbraw/zinc/01/67/45/171016745.db2.gz NCDNUMJERPFJIS-CYBMUJFWSA-N 2 2 282.378 3.491 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCCc3ccccc32)c[nH+]1 ZINC000020506315 171228752 /nfs/dbraw/zinc/22/87/52/171228752.db2.gz HPMBBJQMGXFBRC-KRWDZBQOSA-N 2 2 269.392 3.331 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000035286380 172104316 /nfs/dbraw/zinc/10/43/16/172104316.db2.gz XRNGLIYGGJZRHC-JTQLQIEISA-N 2 2 269.801 3.339 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCc3cccc(C)n3)n2c1 ZINC000285440372 196285121 /nfs/dbraw/zinc/28/51/21/196285121.db2.gz FSFDUGCSMDSPNN-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP C[C@@H]([NH3+])C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000037390871 173173644 /nfs/dbraw/zinc/17/36/44/173173644.db2.gz DHBQPTRGHHYJFB-OAHLLOKOSA-N 2 2 254.377 3.036 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000042323079 174685524 /nfs/dbraw/zinc/68/55/24/174685524.db2.gz ONALFHGEBSVDFA-KRWDZBQOSA-N 2 2 262.441 3.369 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059180859 175631012 /nfs/dbraw/zinc/63/10/12/175631012.db2.gz ZUYGEDYYDQHESM-UHFFFAOYSA-N 2 2 295.496 3.403 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000071142181 176040058 /nfs/dbraw/zinc/04/00/58/176040058.db2.gz DCZLFBZTTONJMV-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000071142181 176040059 /nfs/dbraw/zinc/04/00/59/176040059.db2.gz DCZLFBZTTONJMV-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP Cn1c(CCC[NH2+]Cc2ccccc2)[nH+]c2ccccc21 ZINC000076901255 177129429 /nfs/dbraw/zinc/12/94/29/177129429.db2.gz CIMRORQXSKHKBV-UHFFFAOYSA-N 2 2 279.387 3.296 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000049277391 416469337 /nfs/dbraw/zinc/46/93/37/416469337.db2.gz CHLSAJOHOYPGON-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000049277391 416469341 /nfs/dbraw/zinc/46/93/41/416469341.db2.gz CHLSAJOHOYPGON-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c(C)s1 ZINC000401726536 416545991 /nfs/dbraw/zinc/54/59/91/416545991.db2.gz QUDVFLDALUGNFB-XHVZSJERSA-N 2 2 252.427 3.014 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000134095427 416517169 /nfs/dbraw/zinc/51/71/69/416517169.db2.gz KCJBJEYBXXBJKX-OCCSQVGLSA-N 2 2 286.341 3.265 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000134095427 416517176 /nfs/dbraw/zinc/51/71/76/416517176.db2.gz KCJBJEYBXXBJKX-OCCSQVGLSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@H](CCCCO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000679345750 543623277 /nfs/dbraw/zinc/62/32/77/543623277.db2.gz PFJZODVHRFSMLE-CABCVRRESA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584651 543650191 /nfs/dbraw/zinc/65/01/91/543650191.db2.gz XNBRRXSRCVNYDU-NWDGAFQWSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584651 543650192 /nfs/dbraw/zinc/65/01/92/543650192.db2.gz XNBRRXSRCVNYDU-NWDGAFQWSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340512 543700193 /nfs/dbraw/zinc/70/01/93/543700193.db2.gz JICVNCRUFLAPFO-WMLDXEAASA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340512 543700195 /nfs/dbraw/zinc/70/01/95/543700195.db2.gz JICVNCRUFLAPFO-WMLDXEAASA-N 2 2 264.457 3.419 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679840839 543664146 /nfs/dbraw/zinc/66/41/46/543664146.db2.gz NYXLGMGNRJJUHC-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000679840839 543664148 /nfs/dbraw/zinc/66/41/48/543664148.db2.gz NYXLGMGNRJJUHC-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189066415 287354047 /nfs/dbraw/zinc/35/40/47/287354047.db2.gz XEVKQLBNIQEHGT-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189066415 287354050 /nfs/dbraw/zinc/35/40/50/287354050.db2.gz XEVKQLBNIQEHGT-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461018 543712080 /nfs/dbraw/zinc/71/20/80/543712080.db2.gz DOZJDGAXRLQABR-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461018 543712081 /nfs/dbraw/zinc/71/20/81/543712081.db2.gz DOZJDGAXRLQABR-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681743455 543805605 /nfs/dbraw/zinc/80/56/05/543805605.db2.gz NKCHELYUXNUTHI-DDUZABMNSA-N 2 2 281.403 3.111 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681976151 543812658 /nfs/dbraw/zinc/81/26/58/543812658.db2.gz UFVOQOSHHQGIDA-QRVBRYPASA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681976151 543812660 /nfs/dbraw/zinc/81/26/60/543812660.db2.gz UFVOQOSHHQGIDA-QRVBRYPASA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(O)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000682407105 543841918 /nfs/dbraw/zinc/84/19/18/543841918.db2.gz WZKYFSHXMICTHV-RDTXWAMCSA-N 2 2 284.403 3.173 20 0 CGADLP Clc1sccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682993671 543885010 /nfs/dbraw/zinc/88/50/10/543885010.db2.gz CRBLUADFFFWZSV-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132132231 287397814 /nfs/dbraw/zinc/39/78/14/287397814.db2.gz IXZRSRJUYPRGPB-HOTGVXAUSA-N 2 2 285.435 3.498 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)[nH]1 ZINC000684020471 543961045 /nfs/dbraw/zinc/96/10/45/543961045.db2.gz LJYAXKROIOJIFU-AWEZNQCLSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)[nH]1 ZINC000684020471 543961046 /nfs/dbraw/zinc/96/10/46/543961046.db2.gz LJYAXKROIOJIFU-AWEZNQCLSA-N 2 2 280.375 3.271 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000684368006 543986599 /nfs/dbraw/zinc/98/65/99/543986599.db2.gz YGWMSDVSXMDJEP-KURKYZTESA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c[nH+]1 ZINC000684394166 543992847 /nfs/dbraw/zinc/99/28/47/543992847.db2.gz YSNUQMQTMCZAQY-IBGZPJMESA-N 2 2 295.430 3.282 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](Cc3ccncc3)C2)c[nH+]1 ZINC000684394166 543992849 /nfs/dbraw/zinc/99/28/49/543992849.db2.gz YSNUQMQTMCZAQY-IBGZPJMESA-N 2 2 295.430 3.282 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000684954313 544043610 /nfs/dbraw/zinc/04/36/10/544043610.db2.gz YTDDAWGHMNXGBO-IXDOHACOSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000684954313 544043613 /nfs/dbraw/zinc/04/36/13/544043613.db2.gz YTDDAWGHMNXGBO-IXDOHACOSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000136159616 287480054 /nfs/dbraw/zinc/48/00/54/287480054.db2.gz VWGBOTBMJUEEHQ-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(F)cn1 ZINC000652222359 418937166 /nfs/dbraw/zinc/93/71/66/418937166.db2.gz MERMVBKOWDWBIH-OAHLLOKOSA-N 2 2 281.419 3.239 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(F)cn1 ZINC000652222359 418937168 /nfs/dbraw/zinc/93/71/68/418937168.db2.gz MERMVBKOWDWBIH-OAHLLOKOSA-N 2 2 281.419 3.239 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000652238081 418940761 /nfs/dbraw/zinc/94/07/61/418940761.db2.gz SDLHJXHUXUYMAW-HNNXBMFYSA-N 2 2 292.471 3.115 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000652238081 418940765 /nfs/dbraw/zinc/94/07/65/418940765.db2.gz SDLHJXHUXUYMAW-HNNXBMFYSA-N 2 2 292.471 3.115 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870454 419022791 /nfs/dbraw/zinc/02/27/91/419022791.db2.gz BPHWKMHTMIQZMH-KBPBESRZSA-N 2 2 274.399 3.228 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870454 419022793 /nfs/dbraw/zinc/02/27/93/419022793.db2.gz BPHWKMHTMIQZMH-KBPBESRZSA-N 2 2 274.399 3.228 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000660129264 419084272 /nfs/dbraw/zinc/08/42/72/419084272.db2.gz POGQSJYJOQPGKV-CABCVRRESA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000660129264 419084276 /nfs/dbraw/zinc/08/42/76/419084276.db2.gz POGQSJYJOQPGKV-CABCVRRESA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccn1 ZINC000665253851 419094008 /nfs/dbraw/zinc/09/40/08/419094008.db2.gz BCRWPFAXKBRVRZ-MZMPZRCHSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccn1 ZINC000665257778 419095670 /nfs/dbraw/zinc/09/56/70/419095670.db2.gz UKUKTAPSHIZWKB-MZMPZRCHSA-N 2 2 299.393 3.017 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2=CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274293 419097825 /nfs/dbraw/zinc/09/78/25/419097825.db2.gz NBFYFRJPEJIGOA-ZWKOTPCHSA-N 2 2 286.419 3.188 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000665277190 419099441 /nfs/dbraw/zinc/09/94/41/419099441.db2.gz WHPCRSSRKCQJHE-WMEQCIOUSA-N 2 2 296.361 3.081 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)co1 ZINC000660204778 419100349 /nfs/dbraw/zinc/10/03/49/419100349.db2.gz PSOKXSDUDULQEJ-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000665296505 419108910 /nfs/dbraw/zinc/10/89/10/419108910.db2.gz TZPRZLHJSSKUSC-DNVCBOLYSA-N 2 2 298.430 3.177 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C ZINC000655858245 419124976 /nfs/dbraw/zinc/12/49/76/419124976.db2.gz XFFBGTUXDJZKPF-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C ZINC000655858245 419124980 /nfs/dbraw/zinc/12/49/80/419124980.db2.gz XFFBGTUXDJZKPF-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665295696 419109010 /nfs/dbraw/zinc/10/90/10/419109010.db2.gz HUBDTBNZVFBQMY-NWDGAFQWSA-N 2 2 252.427 3.057 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849296 419119904 /nfs/dbraw/zinc/11/99/04/419119904.db2.gz STYTXRGCAZWTSB-XHSDSOJGSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849296 419119905 /nfs/dbraw/zinc/11/99/05/419119905.db2.gz STYTXRGCAZWTSB-XHSDSOJGSA-N 2 2 274.408 3.264 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000655848941 419120112 /nfs/dbraw/zinc/12/01/12/419120112.db2.gz LZDCQZUHASIKMU-AEGPPILISA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000655848941 419120113 /nfs/dbraw/zinc/12/01/13/419120113.db2.gz LZDCQZUHASIKMU-AEGPPILISA-N 2 2 264.438 3.416 20 0 CGADLP c1cnc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000655856468 419123115 /nfs/dbraw/zinc/12/31/15/419123115.db2.gz OHOQNUIWOYRDCU-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000655856468 419123118 /nfs/dbraw/zinc/12/31/18/419123118.db2.gz OHOQNUIWOYRDCU-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653590329 419057048 /nfs/dbraw/zinc/05/70/48/419057048.db2.gz YRNAPBLXWGWLTK-ZDUSSCGKSA-N 2 2 261.413 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653590329 419057051 /nfs/dbraw/zinc/05/70/51/419057051.db2.gz YRNAPBLXWGWLTK-ZDUSSCGKSA-N 2 2 261.413 3.036 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708548 419073512 /nfs/dbraw/zinc/07/35/12/419073512.db2.gz KKARVCXJMYVQKE-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CO2 ZINC000655855609 419123929 /nfs/dbraw/zinc/12/39/29/419123929.db2.gz IGWANPRBQDYTMZ-MSOLQXFVSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CO2 ZINC000655855609 419123933 /nfs/dbraw/zinc/12/39/33/419123933.db2.gz IGWANPRBQDYTMZ-MSOLQXFVSA-N 2 2 298.430 3.069 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)[C@@H]1CCCCO1 ZINC000655855665 419124110 /nfs/dbraw/zinc/12/41/10/419124110.db2.gz GGDWIXVCSFTGQJ-HOTGVXAUSA-N 2 2 287.407 3.080 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660478220 419151205 /nfs/dbraw/zinc/15/12/05/419151205.db2.gz ARMMTQCCNQNJRK-WCXIOVBPSA-N 2 2 299.462 3.445 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660478220 419151207 /nfs/dbraw/zinc/15/12/07/419151207.db2.gz ARMMTQCCNQNJRK-WCXIOVBPSA-N 2 2 299.462 3.445 20 0 CGADLP Cc1cnc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c(C)c1 ZINC000656268612 419161322 /nfs/dbraw/zinc/16/13/22/419161322.db2.gz FQPBYJWSCPKDSZ-UHFFFAOYSA-N 2 2 283.419 3.167 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)n1C ZINC000656279355 419165372 /nfs/dbraw/zinc/16/53/72/419165372.db2.gz RTHAQZBTZDKLAF-OAHLLOKOSA-N 2 2 290.455 3.031 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)n1C ZINC000656279355 419165374 /nfs/dbraw/zinc/16/53/74/419165374.db2.gz RTHAQZBTZDKLAF-OAHLLOKOSA-N 2 2 290.455 3.031 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655671 419176207 /nfs/dbraw/zinc/17/62/07/419176207.db2.gz PFXRAKXQETWMGO-RHSMWYFYSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655671 419176209 /nfs/dbraw/zinc/17/62/09/419176209.db2.gz PFXRAKXQETWMGO-RHSMWYFYSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655671 419176210 /nfs/dbraw/zinc/17/62/10/419176210.db2.gz PFXRAKXQETWMGO-RHSMWYFYSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655671 419176212 /nfs/dbraw/zinc/17/62/12/419176212.db2.gz PFXRAKXQETWMGO-RHSMWYFYSA-N 2 2 276.399 3.304 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C ZINC000655858241 419125677 /nfs/dbraw/zinc/12/56/77/419125677.db2.gz XFFBGTUXDJZKPF-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C ZINC000655858241 419125680 /nfs/dbraw/zinc/12/56/80/419125680.db2.gz XFFBGTUXDJZKPF-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000655937562 419128554 /nfs/dbraw/zinc/12/85/54/419128554.db2.gz AGALUOQUFUGGCC-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000655937562 419128557 /nfs/dbraw/zinc/12/85/57/419128557.db2.gz AGALUOQUFUGGCC-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657313432 419248005 /nfs/dbraw/zinc/24/80/05/419248005.db2.gz QSZJLJAQALNAHX-CQSZACIVSA-N 2 2 299.418 3.467 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000657326378 419251432 /nfs/dbraw/zinc/25/14/32/419251432.db2.gz MJLHDEHTCZYQLE-WBVHZDCISA-N 2 2 292.471 3.064 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657332752 419252703 /nfs/dbraw/zinc/25/27/03/419252703.db2.gz OXJPXYBSFAYSAR-CYBMUJFWSA-N 2 2 261.413 3.135 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657344969 419255841 /nfs/dbraw/zinc/25/58/41/419255841.db2.gz FJOYBSOZIBCHCR-INIZCTEOSA-N 2 2 283.419 3.330 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353421 419257834 /nfs/dbraw/zinc/25/78/34/419257834.db2.gz MXFJBIRLHUMVRB-LSDHHAIUSA-N 2 2 261.413 3.134 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OC1CCC1)CCC2 ZINC000657365174 419260420 /nfs/dbraw/zinc/26/04/20/419260420.db2.gz XMUBJKXNLYDGGF-UHFFFAOYSA-N 2 2 297.402 3.050 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000657366709 419261157 /nfs/dbraw/zinc/26/11/57/419261157.db2.gz BLAQXQRDPXSRLP-FUHWJXTLSA-N 2 2 295.430 3.330 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657376723 419263929 /nfs/dbraw/zinc/26/39/29/419263929.db2.gz IZZAQODSQSWPNA-HNNXBMFYSA-N 2 2 283.419 3.167 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cc(C)cc(C)c2)n1C ZINC000657378716 419265585 /nfs/dbraw/zinc/26/55/85/419265585.db2.gz YJOVHQSPDJADKU-AWEZNQCLSA-N 2 2 271.408 3.066 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898178 419207941 /nfs/dbraw/zinc/20/79/41/419207941.db2.gz XEUNRGRVJJRBSE-YVSFHVDLSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898178 419207943 /nfs/dbraw/zinc/20/79/43/419207943.db2.gz XEUNRGRVJJRBSE-YVSFHVDLSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898178 419207945 /nfs/dbraw/zinc/20/79/45/419207945.db2.gz XEUNRGRVJJRBSE-YVSFHVDLSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898178 419207946 /nfs/dbraw/zinc/20/79/46/419207946.db2.gz XEUNRGRVJJRBSE-YVSFHVDLSA-N 2 2 264.457 3.229 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789119 419221063 /nfs/dbraw/zinc/22/10/63/419221063.db2.gz JSNKNYXACBQAAS-UHFFFAOYSA-N 2 2 282.815 3.100 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000657439946 419279733 /nfs/dbraw/zinc/27/97/33/419279733.db2.gz IQFRDSHLOVYRAO-INIZCTEOSA-N 2 2 299.418 3.085 20 0 CGADLP Fc1cccc([C@H]2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657456952 419283008 /nfs/dbraw/zinc/28/30/08/419283008.db2.gz CKOZNKAMNGXUFI-HOCLYGCPSA-N 2 2 299.393 3.394 20 0 CGADLP CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000657459972 419284226 /nfs/dbraw/zinc/28/42/26/419284226.db2.gz MWQUGYDJRNXODN-UHFFFAOYSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(C)c3)CCC2)n1C ZINC000657498325 419294477 /nfs/dbraw/zinc/29/44/77/419294477.db2.gz DVSRZTGGOODPAY-UHFFFAOYSA-N 2 2 269.392 3.206 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cs1 ZINC000657527310 419298790 /nfs/dbraw/zinc/29/87/90/419298790.db2.gz SLSBSEBEHAPEJT-ZDUSSCGKSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cs1 ZINC000657527310 419298793 /nfs/dbraw/zinc/29/87/93/419298793.db2.gz SLSBSEBEHAPEJT-ZDUSSCGKSA-N 2 2 252.427 3.019 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@@H+]1Cc1ccccc1 ZINC000657645328 419317965 /nfs/dbraw/zinc/31/79/65/419317965.db2.gz SAMPUCMVZHLICG-GDBMZVCRSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@H+]1Cc1ccccc1 ZINC000657645328 419317966 /nfs/dbraw/zinc/31/79/66/419317966.db2.gz SAMPUCMVZHLICG-GDBMZVCRSA-N 2 2 278.415 3.377 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H](C)O2)n1-c1ccccc1 ZINC000657667779 419324050 /nfs/dbraw/zinc/32/40/50/419324050.db2.gz RONJADJDSUQGDQ-KBXCAEBGSA-N 2 2 299.418 3.228 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000657733716 419333086 /nfs/dbraw/zinc/33/30/86/419333086.db2.gz LPKMJUDHRDFTFS-FJIDUMEYSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000657733716 419333089 /nfs/dbraw/zinc/33/30/89/419333089.db2.gz LPKMJUDHRDFTFS-FJIDUMEYSA-N 2 2 284.447 3.428 20 0 CGADLP CCOC1CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000657825893 419374120 /nfs/dbraw/zinc/37/41/20/419374120.db2.gz FMENDRUNXGXIJX-ABHNRTSZSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000657832605 419377036 /nfs/dbraw/zinc/37/70/36/419377036.db2.gz GKPDGABNLCVSRC-CVEARBPZSA-N 2 2 297.446 3.371 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCNc2cccc[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000657900676 419423527 /nfs/dbraw/zinc/42/35/27/419423527.db2.gz JJXGATDOLKLEGF-IJEWVQPXSA-N 2 2 273.424 3.298 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000657901584 419427407 /nfs/dbraw/zinc/42/74/07/419427407.db2.gz FCFDFLRAUBDIEX-HPCJDURASA-N 2 2 262.441 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@H+]1C1CC1 ZINC000657901584 419427414 /nfs/dbraw/zinc/42/74/14/419427414.db2.gz FCFDFLRAUBDIEX-HPCJDURASA-N 2 2 262.441 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C(F)F)nc1 ZINC000657906143 419430271 /nfs/dbraw/zinc/43/02/71/419430271.db2.gz WGEGCXGDNROXRA-PGUXBMHVSA-N 2 2 295.377 3.153 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C(F)F)nc1 ZINC000657906143 419430276 /nfs/dbraw/zinc/43/02/76/419430276.db2.gz WGEGCXGDNROXRA-PGUXBMHVSA-N 2 2 295.377 3.153 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657951846 419459066 /nfs/dbraw/zinc/45/90/66/419459066.db2.gz FOPZQRJRXWEHSH-MJVIPROJSA-N 2 2 283.366 3.010 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657951846 419459072 /nfs/dbraw/zinc/45/90/72/419459072.db2.gz FOPZQRJRXWEHSH-MJVIPROJSA-N 2 2 283.366 3.010 20 0 CGADLP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000657980102 419474477 /nfs/dbraw/zinc/47/44/77/419474477.db2.gz UTWCTRGLUKHYPC-CZUORRHYSA-N 2 2 296.405 3.355 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058381 419527795 /nfs/dbraw/zinc/52/77/95/419527795.db2.gz SCHOOXQFUZZDJQ-HZPDHXFCSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058381 419527801 /nfs/dbraw/zinc/52/78/01/419527801.db2.gz SCHOOXQFUZZDJQ-HZPDHXFCSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658058988 419531670 /nfs/dbraw/zinc/53/16/70/419531670.db2.gz GXIZPXMHNKJEQT-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658058988 419531678 /nfs/dbraw/zinc/53/16/78/419531678.db2.gz GXIZPXMHNKJEQT-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058780 419533057 /nfs/dbraw/zinc/53/30/57/419533057.db2.gz UOXRHGUUZXBYKF-ABAIWWIYSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058780 419533063 /nfs/dbraw/zinc/53/30/63/419533063.db2.gz UOXRHGUUZXBYKF-ABAIWWIYSA-N 2 2 282.378 3.488 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059202 419533672 /nfs/dbraw/zinc/53/36/72/419533672.db2.gz VYIPRTLPPAMIIR-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059202 419533681 /nfs/dbraw/zinc/53/36/81/419533681.db2.gz VYIPRTLPPAMIIR-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658063424 419535385 /nfs/dbraw/zinc/53/53/85/419535385.db2.gz VIMGVOXVKVGNFU-MCIONIFRSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658063424 419535394 /nfs/dbraw/zinc/53/53/94/419535394.db2.gz VIMGVOXVKVGNFU-MCIONIFRSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090152 419560440 /nfs/dbraw/zinc/56/04/40/419560440.db2.gz DZBLQFQMAZJSKL-ZIAGYGMSSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090152 419560448 /nfs/dbraw/zinc/56/04/48/419560448.db2.gz DZBLQFQMAZJSKL-ZIAGYGMSSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090377 419561294 /nfs/dbraw/zinc/56/12/94/419561294.db2.gz GXFJUOGYNSTXCR-GXTWGEPZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090377 419561298 /nfs/dbraw/zinc/56/12/98/419561298.db2.gz GXFJUOGYNSTXCR-GXTWGEPZSA-N 2 2 266.454 3.142 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000658036190 419515202 /nfs/dbraw/zinc/51/52/02/419515202.db2.gz BBBOIZKVAUAALV-OAHLLOKOSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000658093253 419570457 /nfs/dbraw/zinc/57/04/57/419570457.db2.gz UBLOAKXYLOUKEO-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000658093253 419570467 /nfs/dbraw/zinc/57/04/67/419570467.db2.gz UBLOAKXYLOUKEO-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094098 419570660 /nfs/dbraw/zinc/57/06/60/419570660.db2.gz XNJJJYYBLWILMU-NVXWUHKLSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094098 419570672 /nfs/dbraw/zinc/57/06/72/419570672.db2.gz XNJJJYYBLWILMU-NVXWUHKLSA-N 2 2 274.452 3.470 20 0 CGADLP CC[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000658120051 419596890 /nfs/dbraw/zinc/59/68/90/419596890.db2.gz FSGLSASEMPXGSM-OAHLLOKOSA-N 2 2 275.440 3.072 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000663511727 419640395 /nfs/dbraw/zinc/64/03/95/419640395.db2.gz YNGKMMKZCXQZMY-MRXNPFEDSA-N 2 2 298.430 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658221103 419678863 /nfs/dbraw/zinc/67/88/63/419678863.db2.gz SWKNYIVXZRIZGV-RVKKMQEKSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658192350 419651718 /nfs/dbraw/zinc/65/17/18/419651718.db2.gz HGCXAEFJVXBJQK-MRXNPFEDSA-N 2 2 278.415 3.379 20 0 CGADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658192350 419651725 /nfs/dbraw/zinc/65/17/25/419651725.db2.gz HGCXAEFJVXBJQK-MRXNPFEDSA-N 2 2 278.415 3.379 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000658283118 419728078 /nfs/dbraw/zinc/72/80/78/419728078.db2.gz ALZVKOSMUNWYJT-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000658283118 419728087 /nfs/dbraw/zinc/72/80/87/419728087.db2.gz ALZVKOSMUNWYJT-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285315 419733860 /nfs/dbraw/zinc/73/38/60/419733860.db2.gz JWAJCGHJRPDRPF-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285315 419733866 /nfs/dbraw/zinc/73/38/66/419733866.db2.gz JWAJCGHJRPDRPF-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286224 419734311 /nfs/dbraw/zinc/73/43/11/419734311.db2.gz QGRFXGRXCXFROD-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286224 419734320 /nfs/dbraw/zinc/73/43/20/419734320.db2.gz QGRFXGRXCXFROD-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294578 419742709 /nfs/dbraw/zinc/74/27/09/419742709.db2.gz NRKXPJYZCAIXAM-UAGQMJEPSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179393477 260045852 /nfs/dbraw/zinc/04/58/52/260045852.db2.gz GTKANSUIIUXQBT-GDBMZVCRSA-N 2 2 258.409 3.229 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000390585724 262223468 /nfs/dbraw/zinc/22/34/68/262223468.db2.gz MIVYCGWPIJFNDN-MSOLQXFVSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000390585724 262223469 /nfs/dbraw/zinc/22/34/69/262223469.db2.gz MIVYCGWPIJFNDN-MSOLQXFVSA-N 2 2 272.436 3.429 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(F)c1 ZINC000037197166 270028777 /nfs/dbraw/zinc/02/87/77/270028777.db2.gz SULHWRQVUIEZSZ-GFCCVEGCSA-N 2 2 282.403 3.073 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000044685954 270037337 /nfs/dbraw/zinc/03/73/37/270037337.db2.gz VUTDBZREVGIGFL-CGZBRXJRSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000044685954 270037338 /nfs/dbraw/zinc/03/73/38/270037338.db2.gz VUTDBZREVGIGFL-CGZBRXJRSA-N 2 2 270.420 3.067 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(F)c1 ZINC000045106221 270038070 /nfs/dbraw/zinc/03/80/70/270038070.db2.gz HVVRFPFSVRYHFC-ZDUSSCGKSA-N 2 2 291.370 3.162 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105541 270038177 /nfs/dbraw/zinc/03/81/77/270038177.db2.gz KHGXDJQQXUMTDX-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000105480641 270047463 /nfs/dbraw/zinc/04/74/63/270047463.db2.gz UPPQHMWWXMQKCQ-YGRLFVJLSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000105480641 270047464 /nfs/dbraw/zinc/04/74/64/270047464.db2.gz UPPQHMWWXMQKCQ-YGRLFVJLSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000186875997 270067497 /nfs/dbraw/zinc/06/74/97/270067497.db2.gz MIZRDPUETHYZDE-KBXCAEBGSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000186875997 270067498 /nfs/dbraw/zinc/06/74/98/270067498.db2.gz MIZRDPUETHYZDE-KBXCAEBGSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000218957025 270085609 /nfs/dbraw/zinc/08/56/09/270085609.db2.gz RDJGZJYYZFOMOH-UTUOFQBUSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000218957025 270085610 /nfs/dbraw/zinc/08/56/10/270085610.db2.gz RDJGZJYYZFOMOH-UTUOFQBUSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000222915988 270086326 /nfs/dbraw/zinc/08/63/26/270086326.db2.gz VJSBCUSPLVYWRH-UKPHBRMFSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000222915988 270086327 /nfs/dbraw/zinc/08/63/27/270086327.db2.gz VJSBCUSPLVYWRH-UKPHBRMFSA-N 2 2 258.409 3.353 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000223147094 270086383 /nfs/dbraw/zinc/08/63/83/270086383.db2.gz UFMYNQVAOJYSCY-YOEHRIQHSA-N 2 2 280.431 3.323 20 0 CGADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000321228718 270093260 /nfs/dbraw/zinc/09/32/60/270093260.db2.gz LJNDFTCZSVKOER-KSSFIOAISA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000321228718 270093261 /nfs/dbraw/zinc/09/32/61/270093261.db2.gz LJNDFTCZSVKOER-KSSFIOAISA-N 2 2 284.403 3.341 20 0 CGADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000414952099 274605469 /nfs/dbraw/zinc/60/54/69/274605469.db2.gz IBGMSOFRLUVNMF-TVQRCGJNSA-N 2 2 273.207 3.081 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527644565 270130792 /nfs/dbraw/zinc/13/07/92/270130792.db2.gz ISHVFCPZMOSFNF-JQFCIGGWSA-N 2 2 281.403 3.397 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527751200 270134211 /nfs/dbraw/zinc/13/42/11/270134211.db2.gz TTYINDBNSIDKBY-CRAIPNDOSA-N 2 2 270.420 3.378 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527751200 270134212 /nfs/dbraw/zinc/13/42/12/270134212.db2.gz TTYINDBNSIDKBY-CRAIPNDOSA-N 2 2 270.420 3.378 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527750564 270134431 /nfs/dbraw/zinc/13/44/31/270134431.db2.gz ACTOIZOIVHAFBY-JQHSSLGASA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527750564 270134432 /nfs/dbraw/zinc/13/44/32/270134432.db2.gz ACTOIZOIVHAFBY-JQHSSLGASA-N 2 2 294.483 3.187 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527807999 270137562 /nfs/dbraw/zinc/13/75/62/270137562.db2.gz ORBCEQITFFUFHT-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527807999 270137563 /nfs/dbraw/zinc/13/75/63/270137563.db2.gz ORBCEQITFFUFHT-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000527848912 270139454 /nfs/dbraw/zinc/13/94/54/270139454.db2.gz KLTDNQWZIZBMQD-AWEZNQCLSA-N 2 2 277.412 3.014 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000527848912 270139455 /nfs/dbraw/zinc/13/94/55/270139455.db2.gz KLTDNQWZIZBMQD-AWEZNQCLSA-N 2 2 277.412 3.014 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850728 270139764 /nfs/dbraw/zinc/13/97/64/270139764.db2.gz KLPHXFXAHDDROD-NHYWBVRUSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850728 270139765 /nfs/dbraw/zinc/13/97/65/270139765.db2.gz KLPHXFXAHDDROD-NHYWBVRUSA-N 2 2 282.790 3.150 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527853983 270139811 /nfs/dbraw/zinc/13/98/11/270139811.db2.gz VOMWYMXMVVVFQG-RYQLBKOJSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527853983 270139812 /nfs/dbraw/zinc/13/98/12/270139812.db2.gz VOMWYMXMVVVFQG-RYQLBKOJSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527853979 270139851 /nfs/dbraw/zinc/13/98/51/270139851.db2.gz VOMWYMXMVVVFQG-JQHSSLGASA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527853979 270139852 /nfs/dbraw/zinc/13/98/52/270139852.db2.gz VOMWYMXMVVVFQG-JQHSSLGASA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993468 270148965 /nfs/dbraw/zinc/14/89/65/270148965.db2.gz VPEBGHUEEDWIIV-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993468 270148966 /nfs/dbraw/zinc/14/89/66/270148966.db2.gz VPEBGHUEEDWIIV-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002387 270150008 /nfs/dbraw/zinc/15/00/08/270150008.db2.gz QBOHZDDNDLTBHL-WMLDXEAASA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002387 270150009 /nfs/dbraw/zinc/15/00/09/270150009.db2.gz QBOHZDDNDLTBHL-WMLDXEAASA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001625 270150174 /nfs/dbraw/zinc/15/01/74/270150174.db2.gz MKSDTFVULUJBSK-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001625 270150175 /nfs/dbraw/zinc/15/01/75/270150175.db2.gz MKSDTFVULUJBSK-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000528002770 270150231 /nfs/dbraw/zinc/15/02/31/270150231.db2.gz QTWJHUNHQHCGHC-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C ZINC000528002770 270150232 /nfs/dbraw/zinc/15/02/32/270150232.db2.gz QTWJHUNHQHCGHC-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000528008624 270151342 /nfs/dbraw/zinc/15/13/42/270151342.db2.gz FXOPMVCZTSEHGR-DOMZBBRYSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC000528008624 270151343 /nfs/dbraw/zinc/15/13/43/270151343.db2.gz FXOPMVCZTSEHGR-DOMZBBRYSA-N 2 2 264.438 3.416 20 0 CGADLP C/C(Cl)=C\C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000528359953 270162437 /nfs/dbraw/zinc/16/24/37/270162437.db2.gz WLGDDXHLYVYBGQ-WLRTZDKTSA-N 2 2 256.821 3.079 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530216065 270195763 /nfs/dbraw/zinc/19/57/63/270195763.db2.gz MFDFEGRUILDHGJ-QWHCGFSZSA-N 2 2 250.411 3.073 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530214811 270195924 /nfs/dbraw/zinc/19/59/24/270195924.db2.gz CYPNJHKOLPFCJI-KBPBESRZSA-N 2 2 264.438 3.464 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218765 270196272 /nfs/dbraw/zinc/19/62/72/270196272.db2.gz JNCSZEPFXJAALX-ABAIWWIYSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@]1(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]C1 ZINC000530249753 270197616 /nfs/dbraw/zinc/19/76/16/270197616.db2.gz YSYCAWCZNCUIOL-OAHLLOKOSA-N 2 2 298.352 3.063 20 0 CGADLP C[C@@]1(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]C1 ZINC000530249753 270197617 /nfs/dbraw/zinc/19/76/17/270197617.db2.gz YSYCAWCZNCUIOL-OAHLLOKOSA-N 2 2 298.352 3.063 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000531738822 270209099 /nfs/dbraw/zinc/20/90/99/270209099.db2.gz YDKCIVZHGNDJTL-UMVBOHGHSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000531738822 270209100 /nfs/dbraw/zinc/20/91/00/270209100.db2.gz YDKCIVZHGNDJTL-UMVBOHGHSA-N 2 2 296.842 3.037 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531948116 270211500 /nfs/dbraw/zinc/21/15/00/270211500.db2.gz BBAYLGVOWCAYMD-IAGOWNOFSA-N 2 2 282.472 3.068 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531948116 270211501 /nfs/dbraw/zinc/21/15/01/270211501.db2.gz BBAYLGVOWCAYMD-IAGOWNOFSA-N 2 2 282.472 3.068 20 0 CGADLP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565324 270217424 /nfs/dbraw/zinc/21/74/24/270217424.db2.gz AOGKKOMGFDVTCC-HOCLYGCPSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565324 270217425 /nfs/dbraw/zinc/21/74/25/270217425.db2.gz AOGKKOMGFDVTCC-HOCLYGCPSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000532675675 270218299 /nfs/dbraw/zinc/21/82/99/270218299.db2.gz WGIWUJOQYBFYHX-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000532675675 270218300 /nfs/dbraw/zinc/21/83/00/270218300.db2.gz WGIWUJOQYBFYHX-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423246964 273685459 /nfs/dbraw/zinc/68/54/59/273685459.db2.gz OGPUEYFZKUDGTL-CQSZACIVSA-N 2 2 282.815 3.061 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414985683 273750405 /nfs/dbraw/zinc/75/04/05/273750405.db2.gz WNWFVVMAQHIEPJ-LBPRGKRZSA-N 2 2 294.345 3.268 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377783494 274230824 /nfs/dbraw/zinc/23/08/24/274230824.db2.gz RQLPYGWGINZDTO-FZMZJTMJSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377783494 274230825 /nfs/dbraw/zinc/23/08/25/274230825.db2.gz RQLPYGWGINZDTO-FZMZJTMJSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422863722 274252372 /nfs/dbraw/zinc/25/23/72/274252372.db2.gz PMSSFGLUAXATBD-NOZJJQNGSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135778 274349530 /nfs/dbraw/zinc/34/95/30/274349530.db2.gz OVCBZPGEAYCJAN-WBVHZDCISA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135778 274349531 /nfs/dbraw/zinc/34/95/31/274349531.db2.gz OVCBZPGEAYCJAN-WBVHZDCISA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc2O1 ZINC000429135778 274349532 /nfs/dbraw/zinc/34/95/32/274349532.db2.gz OVCBZPGEAYCJAN-WBVHZDCISA-N 2 2 288.435 3.144 20 0 CGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc2O1 ZINC000429135778 274349533 /nfs/dbraw/zinc/34/95/33/274349533.db2.gz OVCBZPGEAYCJAN-WBVHZDCISA-N 2 2 288.435 3.144 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1cccnc1)C(C)C)CCC2 ZINC000359320728 274824459 /nfs/dbraw/zinc/82/44/59/274824459.db2.gz KCJSEKSYJZRAHU-IRXDYDNUSA-N 2 2 298.434 3.451 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423556093 274882381 /nfs/dbraw/zinc/88/23/81/274882381.db2.gz MKFHULYMUFBGEE-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000094304398 275819169 /nfs/dbraw/zinc/81/91/69/275819169.db2.gz KXIXXVRNHAQXSL-HNNXBMFYSA-N 2 2 273.424 3.219 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659983 276009643 /nfs/dbraw/zinc/00/96/43/276009643.db2.gz FUGAQJGJFVCCGG-CQSZACIVSA-N 2 2 257.381 3.219 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659983 276009645 /nfs/dbraw/zinc/00/96/45/276009645.db2.gz FUGAQJGJFVCCGG-CQSZACIVSA-N 2 2 257.381 3.219 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092298 276168010 /nfs/dbraw/zinc/16/80/10/276168010.db2.gz ATFMMLKLIDCFET-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092298 276168011 /nfs/dbraw/zinc/16/80/11/276168011.db2.gz ATFMMLKLIDCFET-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341757429 276175371 /nfs/dbraw/zinc/17/53/71/276175371.db2.gz JCRPOAOYKGDCCJ-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341757429 276175374 /nfs/dbraw/zinc/17/53/74/276175374.db2.gz JCRPOAOYKGDCCJ-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100664 276175564 /nfs/dbraw/zinc/17/55/64/276175564.db2.gz FIVGKSKBZMVNIF-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100664 276175565 /nfs/dbraw/zinc/17/55/65/276175565.db2.gz FIVGKSKBZMVNIF-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289510 276178922 /nfs/dbraw/zinc/17/89/22/276178922.db2.gz JDFRRQUJCOGZFY-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289510 276178923 /nfs/dbraw/zinc/17/89/23/276178923.db2.gz JDFRRQUJCOGZFY-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360249705 276179083 /nfs/dbraw/zinc/17/90/83/276179083.db2.gz MYWWZOYXPMKUPH-ISTRZQFTSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360249705 276179084 /nfs/dbraw/zinc/17/90/84/276179084.db2.gz MYWWZOYXPMKUPH-ISTRZQFTSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100662 276188185 /nfs/dbraw/zinc/18/81/85/276188185.db2.gz FIVGKSKBZMVNIF-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100662 276188186 /nfs/dbraw/zinc/18/81/86/276188186.db2.gz FIVGKSKBZMVNIF-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352330 276231354 /nfs/dbraw/zinc/23/13/54/276231354.db2.gz WXLMVPUVBMOJFS-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352330 276231355 /nfs/dbraw/zinc/23/13/55/276231355.db2.gz WXLMVPUVBMOJFS-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC1(C)C ZINC000417351569 276287592 /nfs/dbraw/zinc/28/75/92/276287592.db2.gz SDTIJJJIRCWFJI-AVGNSLFASA-N 2 2 261.413 3.071 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC1(C)C ZINC000417351569 276287593 /nfs/dbraw/zinc/28/75/93/276287593.db2.gz SDTIJJJIRCWFJI-AVGNSLFASA-N 2 2 261.413 3.071 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548532 277044527 /nfs/dbraw/zinc/04/45/27/277044527.db2.gz RWJIIBVTBKIJNA-OAHLLOKOSA-N 2 2 297.446 3.400 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548532 277044528 /nfs/dbraw/zinc/04/45/28/277044528.db2.gz RWJIIBVTBKIJNA-OAHLLOKOSA-N 2 2 297.446 3.400 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548532 277044529 /nfs/dbraw/zinc/04/45/29/277044529.db2.gz RWJIIBVTBKIJNA-OAHLLOKOSA-N 2 2 297.446 3.400 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548532 277044532 /nfs/dbraw/zinc/04/45/32/277044532.db2.gz RWJIIBVTBKIJNA-OAHLLOKOSA-N 2 2 297.446 3.400 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825797 277046026 /nfs/dbraw/zinc/04/60/26/277046026.db2.gz AMIJVRUVVOBZBT-ZDUSSCGKSA-N 2 2 276.346 3.055 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC=C(C(F)(F)F)CC1 ZINC000339825797 277046023 /nfs/dbraw/zinc/04/60/23/277046023.db2.gz AMIJVRUVVOBZBT-ZDUSSCGKSA-N 2 2 276.346 3.055 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(C(F)(F)F)CC1 ZINC000339825797 277046025 /nfs/dbraw/zinc/04/60/25/277046025.db2.gz AMIJVRUVVOBZBT-ZDUSSCGKSA-N 2 2 276.346 3.055 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825797 277046028 /nfs/dbraw/zinc/04/60/28/277046028.db2.gz AMIJVRUVVOBZBT-ZDUSSCGKSA-N 2 2 276.346 3.055 20 0 CGADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326754 277227563 /nfs/dbraw/zinc/22/75/63/277227563.db2.gz CKIYIQPHLJQCTK-GJZGRUSLSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000337326018 277688460 /nfs/dbraw/zinc/68/84/60/277688460.db2.gz CFOZKAKQPKBEOE-WMZOPIPTSA-N 2 2 290.451 3.227 20 0 CGADLP COc1cccc2c(N3C[C@H](C)[NH+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000338794290 278024959 /nfs/dbraw/zinc/02/49/59/278024959.db2.gz LKIAUCLVXPYESB-KBPBESRZSA-N 2 2 299.418 3.081 20 0 CGADLP CC/C=C\CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352090566 278165451 /nfs/dbraw/zinc/16/54/51/278165451.db2.gz ADEVFODGUUYPMC-UIZHIOIMSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C\CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352090566 278165454 /nfs/dbraw/zinc/16/54/54/278165454.db2.gz ADEVFODGUUYPMC-UIZHIOIMSA-N 2 2 258.409 3.378 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000453394317 278220029 /nfs/dbraw/zinc/22/00/29/278220029.db2.gz IULQBSNSWRHBBC-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000453394317 278220030 /nfs/dbraw/zinc/22/00/30/278220030.db2.gz IULQBSNSWRHBBC-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000130067299 278301587 /nfs/dbraw/zinc/30/15/87/278301587.db2.gz ZDCYOPIHAOMDGG-NHYWBVRUSA-N 2 2 275.783 3.202 20 0 CGADLP CC(C)(C)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000041120184 278327163 /nfs/dbraw/zinc/32/71/63/278327163.db2.gz SIZWUKXLPLSZBB-INIZCTEOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352198 278350889 /nfs/dbraw/zinc/35/08/89/278350889.db2.gz NUPASZFFPZPQBV-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352198 278350892 /nfs/dbraw/zinc/35/08/92/278350892.db2.gz NUPASZFFPZPQBV-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2n1 ZINC000423499776 278366452 /nfs/dbraw/zinc/36/64/52/278366452.db2.gz JTSKCZWSMAFRCL-ACJLOTCBSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423142881 278370403 /nfs/dbraw/zinc/37/04/03/278370403.db2.gz BNSQNEOIUMRINU-HPEXNQPKSA-N 2 2 280.362 3.072 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423275947 278379693 /nfs/dbraw/zinc/37/96/93/278379693.db2.gz MJQJQWWYXSIDQU-BXUZGUMPSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684911 278384803 /nfs/dbraw/zinc/38/48/03/278384803.db2.gz SOSAJGBRQHLMCG-RISCZKNCSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684911 278384804 /nfs/dbraw/zinc/38/48/04/278384804.db2.gz SOSAJGBRQHLMCG-RISCZKNCSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463246534 278523943 /nfs/dbraw/zinc/52/39/43/278523943.db2.gz IYKPGUSFQDFPIZ-OLZOCXBDSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000078464248 278608905 /nfs/dbraw/zinc/60/89/05/278608905.db2.gz CZCHEBNHLFHDLA-INMHGKMJSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000149369484 278609529 /nfs/dbraw/zinc/60/95/29/278609529.db2.gz PXHPAQDFQARQMI-PBHICJAKSA-N 2 2 258.409 3.310 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000423355205 288072979 /nfs/dbraw/zinc/07/29/79/288072979.db2.gz FAHALWKIOCQJTN-BYCMXARLSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC13CCC3)CCC2 ZINC000336212716 279004123 /nfs/dbraw/zinc/00/41/23/279004123.db2.gz HTPNENHPIBKBKU-LSDHHAIUSA-N 2 2 273.424 3.381 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000462673016 288102157 /nfs/dbraw/zinc/10/21/57/288102157.db2.gz HFLKQIIPSMIDBH-FPCVCCKLSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000462673016 288102158 /nfs/dbraw/zinc/10/21/58/288102158.db2.gz HFLKQIIPSMIDBH-FPCVCCKLSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000414669845 279179422 /nfs/dbraw/zinc/17/94/22/279179422.db2.gz BZXNBZCVHQUVQJ-KBPBESRZSA-N 2 2 252.427 3.258 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000414669845 279179426 /nfs/dbraw/zinc/17/94/26/279179426.db2.gz BZXNBZCVHQUVQJ-KBPBESRZSA-N 2 2 252.427 3.258 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cc(F)cc(F)c1 ZINC000449236311 279349106 /nfs/dbraw/zinc/34/91/06/279349106.db2.gz XQEIGHMXIOQTAA-BFQNTYOBSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cc(F)cc(F)c1 ZINC000449236311 279349109 /nfs/dbraw/zinc/34/91/09/279349109.db2.gz XQEIGHMXIOQTAA-BFQNTYOBSA-N 2 2 282.378 3.141 20 0 CGADLP Cc1ccc(CCCN2CCC[N@@H+](C(C)(C)C)CC2)c[nH+]1 ZINC000526970208 288154471 /nfs/dbraw/zinc/15/44/71/288154471.db2.gz AZCPJCAMLUZNPH-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCCN2CCC[N@H+](C(C)(C)C)CC2)c[nH+]1 ZINC000526970208 288154472 /nfs/dbraw/zinc/15/44/72/288154472.db2.gz AZCPJCAMLUZNPH-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527642250 288180166 /nfs/dbraw/zinc/18/01/66/288180166.db2.gz YKCCOSJTUGHPST-CCKFTAQKSA-N 2 2 299.462 3.070 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527669403 288186943 /nfs/dbraw/zinc/18/69/43/288186943.db2.gz GKIMERPEXUNXLH-VXGBXAGGSA-N 2 2 274.399 3.273 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527669403 288186946 /nfs/dbraw/zinc/18/69/46/288186946.db2.gz GKIMERPEXUNXLH-VXGBXAGGSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)C[N@@H+]1C1CC1 ZINC000449595760 280009302 /nfs/dbraw/zinc/00/93/02/280009302.db2.gz VJGKGZYCGWAYHD-KSSFIOAISA-N 2 2 284.447 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)C[N@H+]1C1CC1 ZINC000449595760 280009304 /nfs/dbraw/zinc/00/93/04/280009304.db2.gz VJGKGZYCGWAYHD-KSSFIOAISA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CC12CC2 ZINC000527851718 288197496 /nfs/dbraw/zinc/19/74/96/288197496.db2.gz LTTAHLVUZNYADB-OLZOCXBDSA-N 2 2 269.392 3.274 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC12CC2 ZINC000527851898 288197505 /nfs/dbraw/zinc/19/75/05/288197505.db2.gz NLLMYEQYAXFJHW-GXTWGEPZSA-N 2 2 285.366 3.290 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000346650507 280282674 /nfs/dbraw/zinc/28/26/74/280282674.db2.gz CLRDMYQBLTUPST-CHWSQXEVSA-N 2 2 295.496 3.073 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000346650507 280282677 /nfs/dbraw/zinc/28/26/77/280282677.db2.gz CLRDMYQBLTUPST-CHWSQXEVSA-N 2 2 295.496 3.073 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427890979 280546101 /nfs/dbraw/zinc/54/61/01/280546101.db2.gz KSOOFAXHOGYNIT-KBXIAJHMSA-N 2 2 261.413 3.002 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000336497284 280941925 /nfs/dbraw/zinc/94/19/25/280941925.db2.gz IMMQKIIOFDZNIU-HUUCEWRRSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1ccc2c(C)cc(N3CCC[C@@H]([NH+](C)C)C3)[nH+]c2c1 ZINC000460949180 281040633 /nfs/dbraw/zinc/04/06/33/281040633.db2.gz YLCDRFKDQIYWJS-OAHLLOKOSA-N 2 2 283.419 3.382 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530213635 288300834 /nfs/dbraw/zinc/30/08/34/288300834.db2.gz BCKIYHVOQRIAQJ-JKSUJKDBSA-N 2 2 274.383 3.077 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000349250665 281304474 /nfs/dbraw/zinc/30/44/74/281304474.db2.gz ZPSUNPMQBYFOOF-KEYYUXOJSA-N 2 2 270.420 3.370 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000349250665 281304476 /nfs/dbraw/zinc/30/44/76/281304476.db2.gz ZPSUNPMQBYFOOF-KEYYUXOJSA-N 2 2 270.420 3.370 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531704324 288341410 /nfs/dbraw/zinc/34/14/10/288341410.db2.gz XEGOOBSEVUCBFT-TXCZRRACSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531704324 288341412 /nfs/dbraw/zinc/34/14/12/288341412.db2.gz XEGOOBSEVUCBFT-TXCZRRACSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000531728354 288343702 /nfs/dbraw/zinc/34/37/02/288343702.db2.gz SZXLSCYNTFTCSY-CJNGLKHVSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000531728354 288343705 /nfs/dbraw/zinc/34/37/05/288343705.db2.gz SZXLSCYNTFTCSY-CJNGLKHVSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000532200786 288355051 /nfs/dbraw/zinc/35/50/51/288355051.db2.gz HFGSYXVYFXBSEG-TUVASFSCSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000532200786 288355054 /nfs/dbraw/zinc/35/50/54/288355054.db2.gz HFGSYXVYFXBSEG-TUVASFSCSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000532240315 288357850 /nfs/dbraw/zinc/35/78/50/288357850.db2.gz KPBUKXPXOWRDOK-ZTFGCOKTSA-N 2 2 290.426 3.393 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000532240315 288357852 /nfs/dbraw/zinc/35/78/52/288357852.db2.gz KPBUKXPXOWRDOK-ZTFGCOKTSA-N 2 2 290.426 3.393 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000532492433 288365146 /nfs/dbraw/zinc/36/51/46/288365146.db2.gz SBPMPXYOKZAGSJ-ZBFHGGJFSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540637 288366277 /nfs/dbraw/zinc/36/62/77/288366277.db2.gz AJGCBJVNARCUCD-OXQOHEQNSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540637 288366280 /nfs/dbraw/zinc/36/62/80/288366280.db2.gz AJGCBJVNARCUCD-OXQOHEQNSA-N 2 2 294.442 3.436 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865540 288396324 /nfs/dbraw/zinc/39/63/24/288396324.db2.gz PZPHNSLBMBPFIX-GDBMZVCRSA-N 2 2 287.382 3.500 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865540 288396326 /nfs/dbraw/zinc/39/63/26/288396326.db2.gz PZPHNSLBMBPFIX-GDBMZVCRSA-N 2 2 287.382 3.500 20 0 CGADLP C[C@@H](c1ccccn1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573746 288451523 /nfs/dbraw/zinc/45/15/23/288451523.db2.gz GRRKJHBPOQBLRE-AWEZNQCLSA-N 2 2 282.391 3.114 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000488366491 288789578 /nfs/dbraw/zinc/78/95/78/288789578.db2.gz LLWUOGKUWKAMPT-PVAVHDDUSA-N 2 2 258.409 3.069 20 0 CGADLP COCCC1(C[NH2+]CCCCn2cc[nH+]c2)CCCCC1 ZINC000547706604 288971561 /nfs/dbraw/zinc/97/15/61/288971561.db2.gz QHYPWWRMXNTXBU-UHFFFAOYSA-N 2 2 293.455 3.240 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000548498231 289010273 /nfs/dbraw/zinc/01/02/73/289010273.db2.gz LFDCNZSTDINOOC-STQMWFEESA-N 2 2 296.374 3.112 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000548498231 289010274 /nfs/dbraw/zinc/01/02/74/289010274.db2.gz LFDCNZSTDINOOC-STQMWFEESA-N 2 2 296.374 3.112 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC000548885278 289028104 /nfs/dbraw/zinc/02/81/04/289028104.db2.gz UJHSAFYDLWXTNJ-BFHYXJOUSA-N 2 2 269.392 3.274 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCC1 ZINC000453208130 289059022 /nfs/dbraw/zinc/05/90/22/289059022.db2.gz BCEOOZQNASNACP-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H](C)C1 ZINC000551230700 289103688 /nfs/dbraw/zinc/10/36/88/289103688.db2.gz BUEIAEKZKAAZDL-WDNDVIMCSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572716 289122863 /nfs/dbraw/zinc/12/28/63/289122863.db2.gz JLLAVAMQJFTNTJ-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572716 289122868 /nfs/dbraw/zinc/12/28/68/289122868.db2.gz JLLAVAMQJFTNTJ-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP FC(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000551584347 289123956 /nfs/dbraw/zinc/12/39/56/289123956.db2.gz CCHVNNVBRHZEPC-UHFFFAOYSA-N 2 2 291.345 3.447 20 0 CGADLP CCC1CC([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000551789355 289132664 /nfs/dbraw/zinc/13/26/64/289132664.db2.gz NBNDLKWBXDFVCV-ROKHWSDSSA-N 2 2 275.440 3.274 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOCC2CCC2)n1-c1ccccc1 ZINC000555233871 289335024 /nfs/dbraw/zinc/33/50/24/289335024.db2.gz NPTHKWAQBDXOFI-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234068 289335027 /nfs/dbraw/zinc/33/50/27/289335027.db2.gz KCOIPIKVDAXHNS-BPAWZDJUSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234068 289335028 /nfs/dbraw/zinc/33/50/28/289335028.db2.gz KCOIPIKVDAXHNS-BPAWZDJUSA-N 2 2 284.447 3.393 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000560514016 289599328 /nfs/dbraw/zinc/59/93/28/289599328.db2.gz QPMXPSCADRUJOR-SQNIBIBYSA-N 2 2 292.442 3.277 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[NH+]1CCC(C)CC1 ZINC000187110305 289695574 /nfs/dbraw/zinc/69/55/74/289695574.db2.gz XDERSQAJAZCELG-HUUCEWRRSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564212 290245180 /nfs/dbraw/zinc/24/51/80/290245180.db2.gz XPDJPKKIOOWUGI-BXUZGUMPSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564212 290245182 /nfs/dbraw/zinc/24/51/82/290245182.db2.gz XPDJPKKIOOWUGI-BXUZGUMPSA-N 2 2 297.240 3.181 20 0 CGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000423443820 292973434 /nfs/dbraw/zinc/97/34/34/292973434.db2.gz XLNMIONQVWRAGJ-YJBOKZPZSA-N 2 2 290.451 3.229 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423438713 301288478 /nfs/dbraw/zinc/28/84/78/301288478.db2.gz HDQLXOSMYXBIBL-WDMOLILDSA-N 2 2 282.815 3.187 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000563669837 322005881 /nfs/dbraw/zinc/00/58/81/322005881.db2.gz GXRDMJKMEHEODX-TVFCKZIOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000563669837 322005883 /nfs/dbraw/zinc/00/58/83/322005883.db2.gz GXRDMJKMEHEODX-TVFCKZIOSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]CCC(C)(C)C)cc1 ZINC000564671760 322038438 /nfs/dbraw/zinc/03/84/38/322038438.db2.gz HKSKYGRANSKQPV-INIZCTEOSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1c[nH+]ccc1N ZINC000564823006 322044971 /nfs/dbraw/zinc/04/49/71/322044971.db2.gz POFSIXBLSJSGPX-LLVKDONJSA-N 2 2 285.366 3.361 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+]3CC=CCC3)c2c1 ZINC000564891987 322048155 /nfs/dbraw/zinc/04/81/55/322048155.db2.gz NDQMKOKBXWMWFD-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+]3CC=CCC3)c2c1 ZINC000564891987 322048157 /nfs/dbraw/zinc/04/81/57/322048157.db2.gz NDQMKOKBXWMWFD-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000565673839 322086724 /nfs/dbraw/zinc/08/67/24/322086724.db2.gz GTGYBOVJCQLVDM-QXSJWSMHSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000565673839 322086726 /nfs/dbraw/zinc/08/67/26/322086726.db2.gz GTGYBOVJCQLVDM-QXSJWSMHSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000566092403 322104269 /nfs/dbraw/zinc/10/42/69/322104269.db2.gz KHIXDDBRHSSPMV-BHDSKKPTSA-N 2 2 270.779 3.128 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000567488593 322165842 /nfs/dbraw/zinc/16/58/42/322165842.db2.gz YLDHPTBFLSFGEL-OAHLLOKOSA-N 2 2 291.826 3.493 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000567749993 322175907 /nfs/dbraw/zinc/17/59/07/322175907.db2.gz CZBYILLBXFOUCI-AEFFLSMTSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749993 322175909 /nfs/dbraw/zinc/17/59/09/322175909.db2.gz CZBYILLBXFOUCI-AEFFLSMTSA-N 2 2 295.430 3.464 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000568165475 322195603 /nfs/dbraw/zinc/19/56/03/322195603.db2.gz ODTSYHNVIAVLSC-OOYWPUHTSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000568165475 322195605 /nfs/dbraw/zinc/19/56/05/322195605.db2.gz ODTSYHNVIAVLSC-OOYWPUHTSA-N 2 2 281.403 3.313 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N(C)CC[N@H+](C)C1CC1 ZINC000568505212 322211409 /nfs/dbraw/zinc/21/14/09/322211409.db2.gz NASMMXFSMAHWAW-UHFFFAOYSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N(C)CC[N@@H+](C)C1CC1 ZINC000568505212 322211411 /nfs/dbraw/zinc/21/14/11/322211411.db2.gz NASMMXFSMAHWAW-UHFFFAOYSA-N 2 2 269.392 3.074 20 0 CGADLP CCCCOc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000568654489 322217646 /nfs/dbraw/zinc/21/76/46/322217646.db2.gz SBVZKFXQELXVBR-UHFFFAOYSA-N 2 2 287.407 3.197 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463124 322248159 /nfs/dbraw/zinc/24/81/59/322248159.db2.gz KOSQGKJCJRMFFX-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463124 322248161 /nfs/dbraw/zinc/24/81/61/322248161.db2.gz KOSQGKJCJRMFFX-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)c2ccccc2)n1C ZINC000569941126 322261088 /nfs/dbraw/zinc/26/10/88/322261088.db2.gz JVSCKESPRYFBFF-ZDUSSCGKSA-N 2 2 257.381 3.012 20 0 CGADLP C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1[NH3+] ZINC000570044327 322263443 /nfs/dbraw/zinc/26/34/43/322263443.db2.gz FGGYCWXLVDSWGX-SWLSCSKDSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@H]1[NH3+] ZINC000570044327 322263445 /nfs/dbraw/zinc/26/34/45/322263445.db2.gz FGGYCWXLVDSWGX-SWLSCSKDSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000571389736 322297271 /nfs/dbraw/zinc/29/72/71/322297271.db2.gz YRVCVBZCTLDGLA-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000571389736 322297272 /nfs/dbraw/zinc/29/72/72/322297272.db2.gz YRVCVBZCTLDGLA-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166490 322323140 /nfs/dbraw/zinc/32/31/40/322323140.db2.gz DFZQQOOUUCALIQ-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166490 322323142 /nfs/dbraw/zinc/32/31/42/322323142.db2.gz DFZQQOOUUCALIQ-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2Cl)C1 ZINC000572166490 322323145 /nfs/dbraw/zinc/32/31/45/322323145.db2.gz DFZQQOOUUCALIQ-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccsc2Cl)C1 ZINC000572166490 322323149 /nfs/dbraw/zinc/32/31/49/322323149.db2.gz DFZQQOOUUCALIQ-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH2+]CC[N@H+](C)CCCCc1cccc(C(F)(F)F)c1 ZINC000572158435 322323195 /nfs/dbraw/zinc/32/31/95/322323195.db2.gz QJOCGTZNIPPVMC-UHFFFAOYSA-N 2 2 288.357 3.179 20 0 CGADLP C[NH2+]CC[N@@H+](C)CCCCc1cccc(C(F)(F)F)c1 ZINC000572158435 322323196 /nfs/dbraw/zinc/32/31/96/322323196.db2.gz QJOCGTZNIPPVMC-UHFFFAOYSA-N 2 2 288.357 3.179 20 0 CGADLP CC[N@@H+](CCc1cc[nH+]cc1C)Cc1occc1C ZINC000572718035 322351484 /nfs/dbraw/zinc/35/14/84/322351484.db2.gz SBPLKYNHEDEOMW-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP CC[N@H+](CCc1cc[nH+]cc1C)[C@H]1CCOC(C)(C)C1 ZINC000572756006 322353461 /nfs/dbraw/zinc/35/34/61/322353461.db2.gz GHTIGCLMXDCXOM-INIZCTEOSA-N 2 2 276.424 3.212 20 0 CGADLP CC[N@@H+](CCc1cc[nH+]cc1C)[C@H]1CCOC(C)(C)C1 ZINC000572756006 322353464 /nfs/dbraw/zinc/35/34/64/322353464.db2.gz GHTIGCLMXDCXOM-INIZCTEOSA-N 2 2 276.424 3.212 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604379 322396446 /nfs/dbraw/zinc/39/64/46/322396446.db2.gz BRYUUIVLVYXQMW-FOSCPCJNSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604379 322396449 /nfs/dbraw/zinc/39/64/49/322396449.db2.gz BRYUUIVLVYXQMW-FOSCPCJNSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604379 322396452 /nfs/dbraw/zinc/39/64/52/322396452.db2.gz BRYUUIVLVYXQMW-FOSCPCJNSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604379 322396455 /nfs/dbraw/zinc/39/64/55/322396455.db2.gz BRYUUIVLVYXQMW-FOSCPCJNSA-N 2 2 294.389 3.252 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000583360749 327319878 /nfs/dbraw/zinc/31/98/78/327319878.db2.gz PYWHVPALSPLNAB-WMLDXEAASA-N 2 2 288.435 3.004 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000583360749 327319880 /nfs/dbraw/zinc/31/98/80/327319880.db2.gz PYWHVPALSPLNAB-WMLDXEAASA-N 2 2 288.435 3.004 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000583558759 328610908 /nfs/dbraw/zinc/61/09/08/328610908.db2.gz YNQCCWRHXCZPAG-LBPRGKRZSA-N 2 2 269.458 3.305 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000394394400 329118778 /nfs/dbraw/zinc/11/87/78/329118778.db2.gz BSVRYWANZSKDKT-ONIAQPFYSA-N 2 2 274.452 3.499 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CC2(C)CC2)[NH+](C)C)cc1 ZINC000583847813 329487734 /nfs/dbraw/zinc/48/77/34/329487734.db2.gz WUWGXLOBMMZRAF-INIZCTEOSA-N 2 2 260.425 3.241 20 0 CGADLP C[C@@H](Cc1ccsc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000584496905 329502227 /nfs/dbraw/zinc/50/22/27/329502227.db2.gz AANXQRQMCFUQBK-ZDUSSCGKSA-N 2 2 298.415 3.431 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000576194137 335167404 /nfs/dbraw/zinc/16/74/04/335167404.db2.gz VOJARNVPBSYMMS-IAGOWNOFSA-N 2 2 258.409 3.445 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000577173149 335315470 /nfs/dbraw/zinc/31/54/70/335315470.db2.gz ABHCCCYSJOSXQW-QILLFSRXSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000577634814 335383769 /nfs/dbraw/zinc/38/37/69/335383769.db2.gz ZSTBAVIVOOLGIW-LSBZLQRGSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000577634814 335383770 /nfs/dbraw/zinc/38/37/70/335383770.db2.gz ZSTBAVIVOOLGIW-LSBZLQRGSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccoc1 ZINC000178552722 335437664 /nfs/dbraw/zinc/43/76/64/335437664.db2.gz YXZWWDYPADYMPG-CYBMUJFWSA-N 2 2 259.353 3.218 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC(C(F)(F)F)C1 ZINC000581039998 335999625 /nfs/dbraw/zinc/99/96/25/335999625.db2.gz YWNVDYMPBNFSAS-UHFFFAOYSA-N 2 2 272.314 3.253 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000581218066 336025973 /nfs/dbraw/zinc/02/59/73/336025973.db2.gz KNRABLFSKSAQRZ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000581218066 336025975 /nfs/dbraw/zinc/02/59/75/336025975.db2.gz KNRABLFSKSAQRZ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCOC[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386833260 336180363 /nfs/dbraw/zinc/18/03/63/336180363.db2.gz ICZBJHMJOHKXAA-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386833260 336180364 /nfs/dbraw/zinc/18/03/64/336180364.db2.gz ICZBJHMJOHKXAA-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386891742 336181907 /nfs/dbraw/zinc/18/19/07/336181907.db2.gz NPHKMHVHRAVHJY-SJORKVTESA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386891742 336181908 /nfs/dbraw/zinc/18/19/08/336181908.db2.gz NPHKMHVHRAVHJY-SJORKVTESA-N 2 2 260.425 3.287 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000087472575 521995199 /nfs/dbraw/zinc/99/51/99/521995199.db2.gz IHKQQKYUJCKKRM-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000087472575 521995210 /nfs/dbraw/zinc/99/52/10/521995210.db2.gz IHKQQKYUJCKKRM-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427878954 533830216 /nfs/dbraw/zinc/83/02/16/533830216.db2.gz RTUKULJEJYNFJL-RDJZCZTQSA-N 2 2 283.419 3.117 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000440633834 533848814 /nfs/dbraw/zinc/84/88/14/533848814.db2.gz CBQSYRBHBUBGPA-ZIAGYGMSSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000440633834 533848822 /nfs/dbraw/zinc/84/88/22/533848822.db2.gz CBQSYRBHBUBGPA-ZIAGYGMSSA-N 2 2 297.402 3.282 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768920 533856759 /nfs/dbraw/zinc/85/67/59/533856759.db2.gz OWJHSXVJCIZMDW-KGLIPLIRSA-N 2 2 261.413 3.135 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423253885 533897364 /nfs/dbraw/zinc/89/73/64/533897364.db2.gz WTOFBCFFESYSPI-QZHFEQFPSA-N 2 2 280.415 3.468 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C ZINC000414055238 533920248 /nfs/dbraw/zinc/92/02/48/533920248.db2.gz CIFVBURFAVCEMW-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000414226607 533958052 /nfs/dbraw/zinc/95/80/52/533958052.db2.gz JZMAMYFIBMYMCG-HIFRSBDPSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@H+]1C1CC1 ZINC000414226607 533958064 /nfs/dbraw/zinc/95/80/64/533958064.db2.gz JZMAMYFIBMYMCG-HIFRSBDPSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]1 ZINC000423378509 533967169 /nfs/dbraw/zinc/96/71/69/533967169.db2.gz LDYZLBUCGPZGNJ-MZMPZRCHSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000365060907 534159035 /nfs/dbraw/zinc/15/90/35/534159035.db2.gz HOFHMAIUTHGNFJ-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000365060907 534159044 /nfs/dbraw/zinc/15/90/44/534159044.db2.gz HOFHMAIUTHGNFJ-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423363169 534367086 /nfs/dbraw/zinc/36/70/86/534367086.db2.gz NOLZGWNKXMCUJE-JEBQAFNWSA-N 2 2 297.446 3.441 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2o1 ZINC000449044605 534477515 /nfs/dbraw/zinc/47/75/15/534477515.db2.gz FDTUYMDNELYQEX-KRWDZBQOSA-N 2 2 294.354 3.481 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2o1 ZINC000449044605 534477522 /nfs/dbraw/zinc/47/75/22/534477522.db2.gz FDTUYMDNELYQEX-KRWDZBQOSA-N 2 2 294.354 3.481 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C(C)(C)O1 ZINC000162909572 520522050 /nfs/dbraw/zinc/52/20/50/520522050.db2.gz FVZDRVXRBNVIQA-CQSZACIVSA-N 2 2 291.439 3.209 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cnccc1C)CCC2 ZINC000357796024 534511918 /nfs/dbraw/zinc/51/19/18/534511918.db2.gz OXXNUMDQAOXWEY-LSDHHAIUSA-N 2 2 284.407 3.123 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000364808501 521161269 /nfs/dbraw/zinc/16/12/69/521161269.db2.gz LYGYXUHNNUFVDT-XHSDSOJGSA-N 2 2 294.464 3.042 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000364808501 521161278 /nfs/dbraw/zinc/16/12/78/521161278.db2.gz LYGYXUHNNUFVDT-XHSDSOJGSA-N 2 2 294.464 3.042 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000423260165 534546487 /nfs/dbraw/zinc/54/64/87/534546487.db2.gz GSVQQYNOXZBIGS-ZWNOBZJWSA-N 2 2 267.442 3.010 20 0 CGADLP CCSCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289862437 521703700 /nfs/dbraw/zinc/70/37/00/521703700.db2.gz VYJLMRJIXLICFJ-UHFFFAOYSA-N 2 2 252.427 3.055 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cs1 ZINC000359697003 534598368 /nfs/dbraw/zinc/59/83/68/534598368.db2.gz SGMRIPUQCAEEFP-LBPRGKRZSA-N 2 2 281.469 3.223 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000155658248 522845614 /nfs/dbraw/zinc/84/56/14/522845614.db2.gz MIEUNLNUXRSOAR-CQSZACIVSA-N 2 2 293.798 3.286 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423272335 534677497 /nfs/dbraw/zinc/67/74/97/534677497.db2.gz HVSYQELGDZGIHT-CHWSQXEVSA-N 2 2 282.840 3.204 20 0 CGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000080206396 524730056 /nfs/dbraw/zinc/73/00/56/524730056.db2.gz CMCXASVDVFMDAQ-OAHLLOKOSA-N 2 2 273.380 3.295 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157086286 525021556 /nfs/dbraw/zinc/02/15/56/525021556.db2.gz CENMRMLISBKZHP-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157086286 525021568 /nfs/dbraw/zinc/02/15/68/525021568.db2.gz CENMRMLISBKZHP-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+]CCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000088455076 525430516 /nfs/dbraw/zinc/43/05/16/525430516.db2.gz JLTLQRNSVNMYGB-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584061 526050661 /nfs/dbraw/zinc/05/06/61/526050661.db2.gz SBBWBAPRFMKTJP-KYOSRNDESA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261584061 526050668 /nfs/dbraw/zinc/05/06/68/526050668.db2.gz SBBWBAPRFMKTJP-KYOSRNDESA-N 2 2 264.800 3.085 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027813 526064861 /nfs/dbraw/zinc/06/48/61/526064861.db2.gz BABCLJOAWKHQDX-GUYCJALGSA-N 2 2 254.377 3.324 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027813 526064866 /nfs/dbraw/zinc/06/48/66/526064866.db2.gz BABCLJOAWKHQDX-GUYCJALGSA-N 2 2 254.377 3.324 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000156311682 526387011 /nfs/dbraw/zinc/38/70/11/526387011.db2.gz JUGZETXXWKGDNB-AWEZNQCLSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000156311682 526387016 /nfs/dbraw/zinc/38/70/16/526387016.db2.gz JUGZETXXWKGDNB-AWEZNQCLSA-N 2 2 290.313 3.013 20 0 CGADLP c1[nH]c(CNc2ccc([NH+]3CCCCC3)cc2)c[nH+]1 ZINC000054764648 526600946 /nfs/dbraw/zinc/60/09/46/526600946.db2.gz MQCFQGQMNIRULO-UHFFFAOYSA-N 2 2 256.353 3.012 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C)cc1 ZINC000177327994 527897973 /nfs/dbraw/zinc/89/79/73/527897973.db2.gz UJASDXJBMWAVEK-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C)cc1 ZINC000177327994 527897980 /nfs/dbraw/zinc/89/79/80/527897980.db2.gz UJASDXJBMWAVEK-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C)cc1 ZINC000177327994 527897985 /nfs/dbraw/zinc/89/79/85/527897985.db2.gz UJASDXJBMWAVEK-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C)cc1 ZINC000177327994 527897989 /nfs/dbraw/zinc/89/79/89/527897989.db2.gz UJASDXJBMWAVEK-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCCSc2ccccc2)[C@@H](C)C1 ZINC000358067612 527990848 /nfs/dbraw/zinc/99/08/48/527990848.db2.gz XRCFTUWWNJLRCZ-HOCLYGCPSA-N 2 2 278.465 3.099 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCCSc2ccccc2)[C@@H](C)C1 ZINC000358067612 527990852 /nfs/dbraw/zinc/99/08/52/527990852.db2.gz XRCFTUWWNJLRCZ-HOCLYGCPSA-N 2 2 278.465 3.099 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000355853121 528142867 /nfs/dbraw/zinc/14/28/67/528142867.db2.gz OEZWERJRGZWXAB-IRXDYDNUSA-N 2 2 299.418 3.166 20 0 CGADLP CCC[C@H]([NH2+]CC[NH2+]C)c1cccc(C(F)(F)F)c1 ZINC000423226313 528221220 /nfs/dbraw/zinc/22/12/20/528221220.db2.gz QFTDZDFKUQNPED-ZDUSSCGKSA-N 2 2 274.330 3.356 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000423374518 528300863 /nfs/dbraw/zinc/30/08/63/528300863.db2.gz XDBVESKKDKCVJZ-VXGBXAGGSA-N 2 2 267.442 3.059 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424371375 528301842 /nfs/dbraw/zinc/30/18/42/528301842.db2.gz GAACBKUVPLSHEO-IJLUTSLNSA-N 2 2 267.442 3.187 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1SCC ZINC000423248875 528334597 /nfs/dbraw/zinc/33/45/97/528334597.db2.gz REVLOJZEMJOTKC-GFCCVEGCSA-N 2 2 252.427 3.059 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423382348 528422800 /nfs/dbraw/zinc/42/28/00/528422800.db2.gz OKDUYSKVOVOQTB-KGLIPLIRSA-N 2 2 256.393 3.488 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423393508 528423640 /nfs/dbraw/zinc/42/36/40/528423640.db2.gz YNGOEHUODGDGJR-VXGBXAGGSA-N 2 2 252.427 3.057 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000423375281 528423674 /nfs/dbraw/zinc/42/36/74/528423674.db2.gz ILOMQHSNUHFUAC-BXUZGUMPSA-N 2 2 299.256 3.488 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000441191421 528502302 /nfs/dbraw/zinc/50/23/02/528502302.db2.gz BVZPNQIMIQHALF-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000441191421 528502307 /nfs/dbraw/zinc/50/23/07/528502307.db2.gz BVZPNQIMIQHALF-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423316795 528512496 /nfs/dbraw/zinc/51/24/96/528512496.db2.gz YBOJVEVZANINHO-JTQLQIEISA-N 2 2 258.768 3.129 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000423305414 528513116 /nfs/dbraw/zinc/51/31/16/528513116.db2.gz BRMPOLRWOZHSDA-AWEZNQCLSA-N 2 2 256.393 3.490 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1[nH+]ccn1Cc1ccccc1 ZINC000424725770 528629846 /nfs/dbraw/zinc/62/98/46/528629846.db2.gz SJHCIEQCGWCNFM-UHFFFAOYSA-N 2 2 295.390 3.321 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423230202 528689205 /nfs/dbraw/zinc/68/92/05/528689205.db2.gz CWURGIXEGLURHF-ZBFHGGJFSA-N 2 2 276.424 3.268 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427889303 528722100 /nfs/dbraw/zinc/72/21/00/528722100.db2.gz GLFMOZYIEXQFBI-GDBMZVCRSA-N 2 2 299.418 3.338 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000423282160 528949508 /nfs/dbraw/zinc/94/95/08/528949508.db2.gz CCFQXCFGOMELQX-NSHDSACASA-N 2 2 298.402 3.011 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423296467 528955463 /nfs/dbraw/zinc/95/54/63/528955463.db2.gz GXXDWAONOVQXDE-CMPLNLGQSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423267375 529070403 /nfs/dbraw/zinc/07/04/03/529070403.db2.gz FLUAISBEVHPJLN-MSOLQXFVSA-N 2 2 286.394 3.488 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000358922169 529121721 /nfs/dbraw/zinc/12/17/21/529121721.db2.gz BOPOSAIRZCKRRX-BBRMVZONSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000358922169 529121723 /nfs/dbraw/zinc/12/17/23/529121723.db2.gz BOPOSAIRZCKRRX-BBRMVZONSA-N 2 2 282.378 3.346 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000364956890 529168577 /nfs/dbraw/zinc/16/85/77/529168577.db2.gz QFUDDBTUXKNVPL-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000364956890 529168579 /nfs/dbraw/zinc/16/85/79/529168579.db2.gz QFUDDBTUXKNVPL-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427124445 529170838 /nfs/dbraw/zinc/17/08/38/529170838.db2.gz RPPRUJPJEYLZGP-BBRMVZONSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427124445 529170839 /nfs/dbraw/zinc/17/08/39/529170839.db2.gz RPPRUJPJEYLZGP-BBRMVZONSA-N 2 2 278.827 3.086 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423445018 529177504 /nfs/dbraw/zinc/17/75/04/529177504.db2.gz YDWSLDKCLVKEJD-HZPDHXFCSA-N 2 2 296.842 3.149 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000423568561 529206994 /nfs/dbraw/zinc/20/69/94/529206994.db2.gz VORVMCQXWMIVSR-SWLSCSKDSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427873840 529207855 /nfs/dbraw/zinc/20/78/55/529207855.db2.gz LPHZKUZEXDWQSN-LSDHHAIUSA-N 2 2 273.355 3.078 20 0 CGADLP CCCC1CCC([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000518272907 534927730 /nfs/dbraw/zinc/92/77/30/534927730.db2.gz RFPWAOXPWDFKEY-OQSMONGASA-N 2 2 296.499 3.434 20 0 CGADLP CCCC1CCC([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000518272907 534927733 /nfs/dbraw/zinc/92/77/33/534927733.db2.gz RFPWAOXPWDFKEY-OQSMONGASA-N 2 2 296.499 3.434 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081597 535259349 /nfs/dbraw/zinc/25/93/49/535259349.db2.gz CUABHSJBKRKZSK-CZUORRHYSA-N 2 2 280.843 3.201 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081597 535259352 /nfs/dbraw/zinc/25/93/52/535259352.db2.gz CUABHSJBKRKZSK-CZUORRHYSA-N 2 2 280.843 3.201 20 0 CGADLP CCCC[N@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000469870940 535259965 /nfs/dbraw/zinc/25/99/65/535259965.db2.gz PYJVEANGQXAYJH-UHFFFAOYSA-N 2 2 252.377 3.165 20 0 CGADLP CCCC[N@@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000469870940 535259972 /nfs/dbraw/zinc/25/99/72/535259972.db2.gz PYJVEANGQXAYJH-UHFFFAOYSA-N 2 2 252.377 3.165 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659507 535358596 /nfs/dbraw/zinc/35/85/96/535358596.db2.gz KILRSYBRALFACD-OAHLLOKOSA-N 2 2 263.429 3.325 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459470901 535539515 /nfs/dbraw/zinc/53/95/15/535539515.db2.gz NCVGJXUQNGQFNN-WWDZGPRUSA-N 2 2 272.436 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000459470901 535539520 /nfs/dbraw/zinc/53/95/20/535539520.db2.gz NCVGJXUQNGQFNN-WWDZGPRUSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749924268 571729246 /nfs/dbraw/zinc/72/92/46/571729246.db2.gz OWMBQNWMASKINF-ZIAGYGMSSA-N 2 2 269.392 3.397 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261541133 572525383 /nfs/dbraw/zinc/52/53/83/572525383.db2.gz FOZOJPHNBNHCJS-UHFFFAOYSA-N 2 2 284.403 3.093 20 0 CGADLP C[N@@H+](Cc1ccoc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336973 617809637 /nfs/dbraw/zinc/80/96/37/617809637.db2.gz HAGJTVLOBMQZIU-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[N@H+](Cc1ccoc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336973 617809639 /nfs/dbraw/zinc/80/96/39/617809639.db2.gz HAGJTVLOBMQZIU-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccoc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336973 617809643 /nfs/dbraw/zinc/80/96/43/617809643.db2.gz HAGJTVLOBMQZIU-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccoc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336973 617809646 /nfs/dbraw/zinc/80/96/46/617809646.db2.gz HAGJTVLOBMQZIU-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)co1 ZINC000093016779 617809682 /nfs/dbraw/zinc/80/96/82/617809682.db2.gz CBCJSASKRGJGAD-MRXNPFEDSA-N 2 2 276.424 3.368 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)co1 ZINC000093016779 617809685 /nfs/dbraw/zinc/80/96/85/617809685.db2.gz CBCJSASKRGJGAD-MRXNPFEDSA-N 2 2 276.424 3.368 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC000891744103 618270349 /nfs/dbraw/zinc/27/03/49/618270349.db2.gz XZOAGHFNTLQLDL-UHFFFAOYSA-N 2 2 296.842 3.352 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC000891744103 618270350 /nfs/dbraw/zinc/27/03/50/618270350.db2.gz XZOAGHFNTLQLDL-UHFFFAOYSA-N 2 2 296.842 3.352 20 0 CGADLP C[C@H]1CSCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934300593 618584325 /nfs/dbraw/zinc/58/43/25/618584325.db2.gz KKPATMNMPFSUJM-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@H]1CSCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934300593 618584330 /nfs/dbraw/zinc/58/43/30/618584330.db2.gz KKPATMNMPFSUJM-AWEZNQCLSA-N 2 2 287.432 3.200 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000049093075 618629197 /nfs/dbraw/zinc/62/91/97/618629197.db2.gz MGGUQNBMRLGUHZ-UONOGXRCSA-N 2 2 257.381 3.397 20 0 CGADLP CSCC1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926689755 618823487 /nfs/dbraw/zinc/82/34/87/618823487.db2.gz RGTYNLKSUKFPQG-GJZGRUSLSA-N 2 2 282.497 3.126 20 0 CGADLP CSCC1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926689755 618823489 /nfs/dbraw/zinc/82/34/89/618823489.db2.gz RGTYNLKSUKFPQG-GJZGRUSLSA-N 2 2 282.497 3.126 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000892649369 618886398 /nfs/dbraw/zinc/88/63/98/618886398.db2.gz LBZFZQPHUWXMPG-KGLIPLIRSA-N 2 2 283.485 3.419 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCC)o2)CC1 ZINC000892688127 618907294 /nfs/dbraw/zinc/90/72/94/618907294.db2.gz XQTMWZXAUWXCOW-UHFFFAOYSA-N 2 2 280.412 3.032 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523888 619018495 /nfs/dbraw/zinc/01/84/95/619018495.db2.gz OSFHQGIVZFJSNR-CRAIPNDOSA-N 2 2 284.403 3.134 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000854230838 619063550 /nfs/dbraw/zinc/06/35/50/619063550.db2.gz AARIEVDAVKQVIK-NXEZZACHSA-N 2 2 274.380 3.260 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000925645388 619104049 /nfs/dbraw/zinc/10/40/49/619104049.db2.gz PUBIITNKFMLYJK-IACUBPJLSA-N 2 2 286.341 3.063 20 0 CGADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925665116 619119473 /nfs/dbraw/zinc/11/94/73/619119473.db2.gz ILMPKYUXLMPTHW-KFKAGJAMSA-N 2 2 298.430 3.015 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691841 619140794 /nfs/dbraw/zinc/14/07/94/619140794.db2.gz NERSFFNKRDIJCG-RHSMWYFYSA-N 2 2 283.419 3.037 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cs1 ZINC000925736576 619210432 /nfs/dbraw/zinc/21/04/32/619210432.db2.gz BSNOWCLBTLIKFW-JTQLQIEISA-N 2 2 255.431 3.045 20 0 CGADLP CSc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000894029285 619355437 /nfs/dbraw/zinc/35/54/37/619355437.db2.gz YHSBWABCHBSWKO-UHFFFAOYSA-N 2 2 277.393 3.104 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000894037367 619359711 /nfs/dbraw/zinc/35/97/11/619359711.db2.gz JCROVFIHOSZFMD-SFHVURJKSA-N 2 2 289.467 3.196 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000894037367 619359714 /nfs/dbraw/zinc/35/97/14/619359714.db2.gz JCROVFIHOSZFMD-SFHVURJKSA-N 2 2 289.467 3.196 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857949 619455112 /nfs/dbraw/zinc/45/51/12/619455112.db2.gz XMTWIUMAQDITBF-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857949 619455116 /nfs/dbraw/zinc/45/51/16/619455116.db2.gz XMTWIUMAQDITBF-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262012276 619521762 /nfs/dbraw/zinc/52/17/62/619521762.db2.gz MIDDUEJLOWDLTR-KDOFPFPSSA-N 2 2 298.430 3.406 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262012276 619521769 /nfs/dbraw/zinc/52/17/69/619521769.db2.gz MIDDUEJLOWDLTR-KDOFPFPSSA-N 2 2 298.430 3.406 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000894548133 619572986 /nfs/dbraw/zinc/57/29/86/619572986.db2.gz WYIUUADHZNLORR-CYBMUJFWSA-N 2 2 287.407 3.256 20 0 CGADLP CCC(CC)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110777 619734009 /nfs/dbraw/zinc/73/40/09/619734009.db2.gz XCCHKHORKHZNMP-CTYIDZIISA-N 2 2 261.413 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@@H]2C2CC2)CC1 ZINC000895113230 619736850 /nfs/dbraw/zinc/73/68/50/619736850.db2.gz VJPCNVOPMJGAOB-VQHPVUNQSA-N 2 2 285.435 3.347 20 0 CGADLP c1ccc(NC2CCN(c3cc[nH+]cc3C3CC3)CC2)[nH+]c1 ZINC000895346563 619809052 /nfs/dbraw/zinc/80/90/52/619809052.db2.gz IZDHVJOHDCMPQN-UHFFFAOYSA-N 2 2 294.402 3.435 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895557875 619849496 /nfs/dbraw/zinc/84/94/96/619849496.db2.gz RXSZXLOBCHPVSS-GFCCVEGCSA-N 2 2 291.782 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CCN1c1cc[nH+]cc1 ZINC000895557875 619849500 /nfs/dbraw/zinc/84/95/00/619849500.db2.gz RXSZXLOBCHPVSS-GFCCVEGCSA-N 2 2 291.782 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705762 619873401 /nfs/dbraw/zinc/87/34/01/619873401.db2.gz FRYWGRHRVKOBFN-FVQBIDKESA-N 2 2 287.432 3.108 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896714341 620050702 /nfs/dbraw/zinc/05/07/02/620050702.db2.gz BRNJXSXAXGWKKA-GOEBONIOSA-N 2 2 295.496 3.196 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000067500803 620150178 /nfs/dbraw/zinc/15/01/78/620150178.db2.gz DZULKTGFURQBNW-AWEZNQCLSA-N 2 2 271.408 3.234 20 0 CGADLP c1cn2c([nH+]1)[C@H](C[NH2+]C1CC3(C1)CCCC3)CCC2 ZINC000925173622 620215272 /nfs/dbraw/zinc/21/52/72/620215272.db2.gz YXMUYCJPYSAFKS-ZDUSSCGKSA-N 2 2 259.397 3.073 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1C[C@H]1C ZINC000321162825 620286375 /nfs/dbraw/zinc/28/63/75/620286375.db2.gz XNBPWCPILGRZGU-CBBWQLFWSA-N 2 2 263.429 3.322 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897985389 620462663 /nfs/dbraw/zinc/46/26/63/620462663.db2.gz MIERIBPJVPMQAE-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841066845 620569130 /nfs/dbraw/zinc/56/91/30/620569130.db2.gz XAXQGJDKQYOKBS-SNVBAGLBSA-N 2 2 274.380 3.089 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000902484238 621352693 /nfs/dbraw/zinc/35/26/93/621352693.db2.gz VBTCKTCGMQOBSE-CHWSQXEVSA-N 2 2 293.480 3.205 20 0 CGADLP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000902769125 621433658 /nfs/dbraw/zinc/43/36/58/621433658.db2.gz TVYUJIVZVVGROB-WMZOPIPTSA-N 2 2 299.418 3.310 20 0 CGADLP COCC(C)(C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902998218 621523418 /nfs/dbraw/zinc/52/34/18/621523418.db2.gz AYGBMBAVACCDBQ-CQSZACIVSA-N 2 2 287.407 3.196 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000903103585 621575403 /nfs/dbraw/zinc/57/54/03/621575403.db2.gz KIQUIMHLKZCABB-XDNAFOTISA-N 2 2 295.430 3.482 20 0 CGADLP C1CCC2(C1)OCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000903199596 621623622 /nfs/dbraw/zinc/62/36/22/621623622.db2.gz FPIMXIAZWICOSI-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)OCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000903199596 621623625 /nfs/dbraw/zinc/62/36/25/621623625.db2.gz FPIMXIAZWICOSI-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903335211 621691780 /nfs/dbraw/zinc/69/17/80/621691780.db2.gz MKLPSBWLFQNRTK-KGLIPLIRSA-N 2 2 287.407 3.336 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000903441005 621749722 /nfs/dbraw/zinc/74/97/22/621749722.db2.gz GHMMECSHBJWYAD-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903874361 621824734 /nfs/dbraw/zinc/82/47/34/621824734.db2.gz YRKBBWAPCGCEIY-NSHDSACASA-N 2 2 296.283 3.120 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903874361 621824736 /nfs/dbraw/zinc/82/47/36/621824736.db2.gz YRKBBWAPCGCEIY-NSHDSACASA-N 2 2 296.283 3.120 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]([NH3+])CC(F)F ZINC000903884126 621826894 /nfs/dbraw/zinc/82/68/94/621826894.db2.gz SIVOSSZSFOCUCL-CYBMUJFWSA-N 2 2 274.330 3.019 20 0 CGADLP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]([NH3+])CC(F)F ZINC000903884126 621826897 /nfs/dbraw/zinc/82/68/97/621826897.db2.gz SIVOSSZSFOCUCL-CYBMUJFWSA-N 2 2 274.330 3.019 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000903906871 621831532 /nfs/dbraw/zinc/83/15/32/621831532.db2.gz ZPMARSLYWYXZNL-KBPBESRZSA-N 2 2 268.351 3.196 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000903906871 621831533 /nfs/dbraw/zinc/83/15/33/621831533.db2.gz ZPMARSLYWYXZNL-KBPBESRZSA-N 2 2 268.351 3.196 20 0 CGADLP CN(C)[C@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367756 621912802 /nfs/dbraw/zinc/91/28/02/621912802.db2.gz HYOZVWOKWWWIRS-DLBZAZTESA-N 2 2 291.483 3.033 20 0 CGADLP Fc1cccc([C@H]2C[C@@H]2[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000906590795 622251653 /nfs/dbraw/zinc/25/16/53/622251653.db2.gz LSDQTRUYAPUUKU-CVEARBPZSA-N 2 2 285.366 3.284 20 0 CGADLP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808670 622258815 /nfs/dbraw/zinc/25/88/15/622258815.db2.gz VDAYDZMEOXKAHS-QZTJIDSGSA-N 2 2 299.418 3.023 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471953 625569765 /nfs/dbraw/zinc/56/97/65/625569765.db2.gz ZNAYWDXICONMDG-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471953 625569775 /nfs/dbraw/zinc/56/97/75/625569775.db2.gz ZNAYWDXICONMDG-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471953 625569790 /nfs/dbraw/zinc/56/97/90/625569790.db2.gz ZNAYWDXICONMDG-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471953 625569798 /nfs/dbraw/zinc/56/97/98/625569798.db2.gz ZNAYWDXICONMDG-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000921529024 625648171 /nfs/dbraw/zinc/64/81/71/625648171.db2.gz XKVFLFHKHDKJIY-DZGCQCFKSA-N 2 2 293.480 3.026 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000754129331 626559764 /nfs/dbraw/zinc/55/97/64/626559764.db2.gz OREXRNVOUQOHBX-CABCVRRESA-N 2 2 287.451 3.285 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772443864 627792214 /nfs/dbraw/zinc/79/22/14/627792214.db2.gz JTKXKQNJWJTPDK-GOEBONIOSA-N 2 2 286.423 3.352 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000774211440 627963241 /nfs/dbraw/zinc/96/32/41/627963241.db2.gz TYSCVJROBBFVHJ-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000774211440 627963246 /nfs/dbraw/zinc/96/32/46/627963246.db2.gz TYSCVJROBBFVHJ-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000774211426 627963704 /nfs/dbraw/zinc/96/37/04/627963704.db2.gz TYSCVJROBBFVHJ-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000774211426 627963706 /nfs/dbraw/zinc/96/37/06/627963706.db2.gz TYSCVJROBBFVHJ-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000777148401 628253107 /nfs/dbraw/zinc/25/31/07/628253107.db2.gz GOIRUEQGFJYXIN-UHFFFAOYSA-N 2 2 299.462 3.254 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000780530213 628495752 /nfs/dbraw/zinc/49/57/52/628495752.db2.gz OTCLQRVGGZEKKH-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000780530213 628495755 /nfs/dbraw/zinc/49/57/55/628495755.db2.gz OTCLQRVGGZEKKH-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000783239699 628692619 /nfs/dbraw/zinc/69/26/19/628692619.db2.gz METOBYDRFOPPKX-LSDHHAIUSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000862295223 629341349 /nfs/dbraw/zinc/34/13/49/629341349.db2.gz AGNYEYVXVBZQHC-JKSUJKDBSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000862295223 629341364 /nfs/dbraw/zinc/34/13/64/629341364.db2.gz AGNYEYVXVBZQHC-JKSUJKDBSA-N 2 2 260.425 3.172 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793233499 629433621 /nfs/dbraw/zinc/43/36/21/629433621.db2.gz UFWGHFMDOYZQTC-WKIYYKSKSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000863548681 629604422 /nfs/dbraw/zinc/60/44/22/629604422.db2.gz RLQWAHIVSKEHFV-KMUNFCNLSA-N 2 2 264.800 3.057 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796907279 629857400 /nfs/dbraw/zinc/85/74/00/629857400.db2.gz NUIAVCJTYPIFJQ-ZHALLVOQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796907279 629857403 /nfs/dbraw/zinc/85/74/03/629857403.db2.gz NUIAVCJTYPIFJQ-ZHALLVOQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H]2CCC[C@H]21 ZINC000796907279 629857405 /nfs/dbraw/zinc/85/74/05/629857405.db2.gz NUIAVCJTYPIFJQ-ZHALLVOQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H]2CCC[C@H]21 ZINC000796907279 629857408 /nfs/dbraw/zinc/85/74/08/629857408.db2.gz NUIAVCJTYPIFJQ-ZHALLVOQSA-N 2 2 299.462 3.354 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865404844 630105532 /nfs/dbraw/zinc/10/55/32/630105532.db2.gz UKBHQTKTZMJEFS-GFCCVEGCSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865404844 630105537 /nfs/dbraw/zinc/10/55/37/630105537.db2.gz UKBHQTKTZMJEFS-GFCCVEGCSA-N 2 2 299.821 3.228 20 0 CGADLP Clc1cncc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000865426026 630116115 /nfs/dbraw/zinc/11/61/15/630116115.db2.gz YNPKXHKUHBSVHF-UHFFFAOYSA-N 2 2 299.205 3.155 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(CC3CCC3)c1)CC2 ZINC000865533152 630171834 /nfs/dbraw/zinc/17/18/34/630171834.db2.gz YPJNVSFUSNGJHC-GOSISDBHSA-N 2 2 295.430 3.330 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800242925 630255654 /nfs/dbraw/zinc/25/56/54/630255654.db2.gz JXIGMRGTAHAXSM-JFIYKMOQSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800242925 630255656 /nfs/dbraw/zinc/25/56/56/630255656.db2.gz JXIGMRGTAHAXSM-JFIYKMOQSA-N 2 2 287.451 3.182 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000806156076 630550631 /nfs/dbraw/zinc/55/06/31/630550631.db2.gz XIRKIHDVCLARJZ-YOEHRIQHSA-N 2 2 273.424 3.039 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000811480338 631071452 /nfs/dbraw/zinc/07/14/52/631071452.db2.gz UMJPEMCWVXMRJL-HNNXBMFYSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000811480338 631071463 /nfs/dbraw/zinc/07/14/63/631071463.db2.gz UMJPEMCWVXMRJL-HNNXBMFYSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1SC(C)(C)C ZINC000817935665 632237443 /nfs/dbraw/zinc/23/74/43/632237443.db2.gz YKMWKNPPWKTGCU-LLVKDONJSA-N 2 2 252.427 3.187 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000817940129 632240696 /nfs/dbraw/zinc/24/06/96/632240696.db2.gz FLTCIGHYPNNABN-WCQYABFASA-N 2 2 282.815 3.060 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000817954012 632249387 /nfs/dbraw/zinc/24/93/87/632249387.db2.gz VABNWDFFTXMWJK-DGCLKSJQSA-N 2 2 282.815 3.060 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cccnc2o1 ZINC000823683946 633137287 /nfs/dbraw/zinc/13/72/87/633137287.db2.gz MWFAOEFAFAVOFE-OAHLLOKOSA-N 2 2 298.390 3.229 20 0 CGADLP C[C@]1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1(Cl)Cl ZINC000828006045 633548117 /nfs/dbraw/zinc/54/81/17/633548117.db2.gz GLGRKBGOCHFAEP-GFCCVEGCSA-N 2 2 288.222 3.104 20 0 CGADLP C[C@@]1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321934 633605731 /nfs/dbraw/zinc/60/57/31/633605731.db2.gz JMKGVNKJNDLCGT-JQWIXIFHSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@]1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321934 633605743 /nfs/dbraw/zinc/60/57/43/633605743.db2.gz JMKGVNKJNDLCGT-JQWIXIFHSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(O)ccc1F ZINC000872018555 633937836 /nfs/dbraw/zinc/93/78/36/633937836.db2.gz OCCCFOSKAGEJGX-ZDUSSCGKSA-N 2 2 280.387 3.058 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000872019026 633940157 /nfs/dbraw/zinc/94/01/57/633940157.db2.gz SEFYBTLQMMIJCB-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000872019026 633940162 /nfs/dbraw/zinc/94/01/62/633940162.db2.gz SEFYBTLQMMIJCB-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872022860 633943512 /nfs/dbraw/zinc/94/35/12/633943512.db2.gz MBAUSLMUDKXXPI-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872022860 633943516 /nfs/dbraw/zinc/94/35/16/633943516.db2.gz MBAUSLMUDKXXPI-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)CC ZINC000872023932 633945191 /nfs/dbraw/zinc/94/51/91/633945191.db2.gz LMJSEIAQQMCVAR-CQSZACIVSA-N 2 2 251.418 3.468 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+](CC)C1CC1 ZINC000872031687 633950805 /nfs/dbraw/zinc/95/08/05/633950805.db2.gz STPKZAKHGQZBAD-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000872031687 633950811 /nfs/dbraw/zinc/95/08/11/633950811.db2.gz STPKZAKHGQZBAD-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2F)C1 ZINC000872035905 633954292 /nfs/dbraw/zinc/95/42/92/633954292.db2.gz ZGBFQLPDNSWIPG-ZIAGYGMSSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(O)c2F)C1 ZINC000872035905 633954294 /nfs/dbraw/zinc/95/42/94/633954294.db2.gz ZGBFQLPDNSWIPG-ZIAGYGMSSA-N 2 2 294.414 3.302 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000872041793 633964690 /nfs/dbraw/zinc/96/46/90/633964690.db2.gz WALFHULCOYZMQY-VXGBXAGGSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000872041793 633964684 /nfs/dbraw/zinc/96/46/84/633964684.db2.gz WALFHULCOYZMQY-VXGBXAGGSA-N 2 2 266.351 3.039 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CCO1 ZINC000872043021 633966095 /nfs/dbraw/zinc/96/60/95/633966095.db2.gz VEMRRRDOQAKNIP-LSDHHAIUSA-N 2 2 291.439 3.067 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1cccc(O)c1F)[NH+]1CCCCC1 ZINC000872061673 633984338 /nfs/dbraw/zinc/98/43/38/633984338.db2.gz FUHIZXQGGXXLOQ-ZIAGYGMSSA-N 2 2 294.414 3.446 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230199 634293004 /nfs/dbraw/zinc/29/30/04/634293004.db2.gz NHSCEZFBPVNUET-ZFWWWQNUSA-N 2 2 298.402 3.376 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000876766002 634894897 /nfs/dbraw/zinc/89/48/97/634894897.db2.gz YYMJMSYQWWZCDX-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000876766002 634894899 /nfs/dbraw/zinc/89/48/99/634894899.db2.gz YYMJMSYQWWZCDX-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000876766002 634894903 /nfs/dbraw/zinc/89/49/03/634894903.db2.gz YYMJMSYQWWZCDX-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000876766002 634894905 /nfs/dbraw/zinc/89/49/05/634894905.db2.gz YYMJMSYQWWZCDX-BBRMVZONSA-N 2 2 294.414 3.139 20 0 CGADLP Clc1csc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000877006039 634947568 /nfs/dbraw/zinc/94/75/68/634947568.db2.gz FQBBUJOPCYQMHC-UHFFFAOYSA-N 2 2 296.827 3.173 20 0 CGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc(Cl)s1)CC2 ZINC000877684366 635145337 /nfs/dbraw/zinc/14/53/37/635145337.db2.gz NTRROHIBCRYCRY-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP CCc1nc([C@@H]2CCCC[N@@H+]2CCCCCCC[NH3+])no1 ZINC000842471899 635376063 /nfs/dbraw/zinc/37/60/63/635376063.db2.gz FRABJCIZBYTUCY-AWEZNQCLSA-N 2 2 294.443 3.068 20 0 CGADLP CCc1nc([C@@H]2CCCC[N@H+]2CCCCCCC[NH3+])no1 ZINC000842471899 635376071 /nfs/dbraw/zinc/37/60/71/635376071.db2.gz FRABJCIZBYTUCY-AWEZNQCLSA-N 2 2 294.443 3.068 20 0 CGADLP CC1(C)C[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C(C)(C)O1 ZINC000878172740 635393498 /nfs/dbraw/zinc/39/34/98/635393498.db2.gz LRXOHSXOCZPGON-AWEZNQCLSA-N 2 2 291.439 3.114 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256781 635435330 /nfs/dbraw/zinc/43/53/30/635435330.db2.gz CMJMYPJJYBSBRW-HIFRSBDPSA-N 2 2 295.858 3.206 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256781 635435334 /nfs/dbraw/zinc/43/53/34/635435334.db2.gz CMJMYPJJYBSBRW-HIFRSBDPSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256781 635435346 /nfs/dbraw/zinc/43/53/46/635435346.db2.gz CMJMYPJJYBSBRW-HIFRSBDPSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256781 635435353 /nfs/dbraw/zinc/43/53/53/635435353.db2.gz CMJMYPJJYBSBRW-HIFRSBDPSA-N 2 2 295.858 3.206 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000843045180 635549227 /nfs/dbraw/zinc/54/92/27/635549227.db2.gz ONMMHVCVKSFALU-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000843045180 635549230 /nfs/dbraw/zinc/54/92/30/635549230.db2.gz ONMMHVCVKSFALU-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](CCOCC2CCC2)CC1 ZINC000879951164 635886971 /nfs/dbraw/zinc/88/69/71/635886971.db2.gz JAGFZRIQGIILCV-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880136355 635920786 /nfs/dbraw/zinc/92/07/86/635920786.db2.gz KUCFMSDECOMDQG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880136355 635920787 /nfs/dbraw/zinc/92/07/87/635920787.db2.gz KUCFMSDECOMDQG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880136355 635920789 /nfs/dbraw/zinc/92/07/89/635920789.db2.gz KUCFMSDECOMDQG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880136355 635920793 /nfs/dbraw/zinc/92/07/93/635920793.db2.gz KUCFMSDECOMDQG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140193 635923189 /nfs/dbraw/zinc/92/31/89/635923189.db2.gz ABFQFBCUEYHXDG-KKUMJFAQSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)CC(C)(C)C ZINC000880140193 635923192 /nfs/dbraw/zinc/92/31/92/635923192.db2.gz ABFQFBCUEYHXDG-KKUMJFAQSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)CC(C)(C)C ZINC000880140193 635923195 /nfs/dbraw/zinc/92/31/95/635923195.db2.gz ABFQFBCUEYHXDG-KKUMJFAQSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)CC(C)(C)C ZINC000880140193 635923198 /nfs/dbraw/zinc/92/31/98/635923198.db2.gz ABFQFBCUEYHXDG-KKUMJFAQSA-N 2 2 252.446 3.227 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1CCc2ccccc21 ZINC000880143104 635924154 /nfs/dbraw/zinc/92/41/54/635924154.db2.gz XWVTZPPAFXIWJY-YTQUADARSA-N 2 2 284.447 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1CCc2ccccc21 ZINC000880143104 635924158 /nfs/dbraw/zinc/92/41/58/635924158.db2.gz XWVTZPPAFXIWJY-YTQUADARSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000880143104 635924164 /nfs/dbraw/zinc/92/41/64/635924164.db2.gz XWVTZPPAFXIWJY-YTQUADARSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1CCc2ccccc21 ZINC000880143104 635924169 /nfs/dbraw/zinc/92/41/69/635924169.db2.gz XWVTZPPAFXIWJY-YTQUADARSA-N 2 2 284.447 3.275 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCCC2CC2)c2ccccc2)c[nH+]1 ZINC000880569303 636022661 /nfs/dbraw/zinc/02/26/61/636022661.db2.gz BBBMXNHPQZKKRB-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP c1cn(C[C@H]([NH2+]CCOCC2CCC2)c2ccccc2)c[nH+]1 ZINC000880569016 636023271 /nfs/dbraw/zinc/02/32/71/636023271.db2.gz GLUQCYHMPAEDDA-SFHVURJKSA-N 2 2 299.418 3.031 20 0 CGADLP CC(C)(C)OCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571477 636023536 /nfs/dbraw/zinc/02/35/36/636023536.db2.gz QGRCIVRYDJZLRB-MRXNPFEDSA-N 2 2 287.407 3.029 20 0 CGADLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000848986355 636705199 /nfs/dbraw/zinc/70/51/99/636705199.db2.gz GNHQJDJEHMGXQG-JSGCOSHPSA-N 2 2 296.484 3.043 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cncs1 ZINC000883387171 636729465 /nfs/dbraw/zinc/72/94/65/636729465.db2.gz SNGZXKMODFYYDD-ZFWWWQNUSA-N 2 2 298.415 3.432 20 0 CGADLP Cn1c[nH+]cc1CNc1ccc(C[NH+]2CCCCC2)cc1 ZINC000883404801 636744121 /nfs/dbraw/zinc/74/41/21/636744121.db2.gz NTMVBKRXFPFFQN-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C=CCC3)CC2)cc1 ZINC000850360094 637028272 /nfs/dbraw/zinc/02/82/72/637028272.db2.gz ZMGGTXUNCIMIKL-OAHLLOKOSA-N 2 2 285.435 3.030 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000885918849 637311772 /nfs/dbraw/zinc/31/17/72/637311772.db2.gz AXMZLHAIZGWAPO-SJORKVTESA-N 2 2 296.499 3.434 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C2)[nH]1 ZINC000886069663 637398439 /nfs/dbraw/zinc/39/84/39/637398439.db2.gz JSZSPXLMKZNOPU-ILXRZTDVSA-N 2 2 259.397 3.025 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)[nH]1 ZINC000886069663 637398441 /nfs/dbraw/zinc/39/84/41/637398441.db2.gz JSZSPXLMKZNOPU-ILXRZTDVSA-N 2 2 259.397 3.025 20 0 CGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000924709787 638391923 /nfs/dbraw/zinc/39/19/23/638391923.db2.gz ZQSPITRPQJRMQV-CQSZACIVSA-N 2 2 287.407 3.367 20 0 CGADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+]1CCC(C)CC1 ZINC000924852306 638413906 /nfs/dbraw/zinc/41/39/06/638413906.db2.gz UQFPHNKDWAQJKM-WZYMTQMTSA-N 2 2 282.497 3.123 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C2CCCC2)cc1 ZINC000114772645 638427373 /nfs/dbraw/zinc/42/73/73/638427373.db2.gz ZJXGFYSWRNOVDJ-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C2CCCC2)cc1 ZINC000114772645 638427376 /nfs/dbraw/zinc/42/73/76/638427376.db2.gz ZJXGFYSWRNOVDJ-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP CC[C@@H]1COC[C@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000925058157 638444920 /nfs/dbraw/zinc/44/49/20/638444920.db2.gz RQVGNOQJXXNHNM-BFYDXBDKSA-N 2 2 290.451 3.130 20 0 CGADLP COc1ccnc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000925086748 638449104 /nfs/dbraw/zinc/44/91/04/638449104.db2.gz RWUATUJGORRQQG-BBRMVZONSA-N 2 2 293.455 3.107 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925545204 638524730 /nfs/dbraw/zinc/52/47/30/638524730.db2.gz DWLSEILCMINVMG-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ncsc2c1 ZINC000925641621 638554195 /nfs/dbraw/zinc/55/41/95/638554195.db2.gz CARKELGDTMVMLO-NHYWBVRUSA-N 2 2 287.432 3.232 20 0 CGADLP Cc1cnc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)c1 ZINC000925830815 638625774 /nfs/dbraw/zinc/62/57/74/638625774.db2.gz FUWWBNNWBCSTQT-MSOLQXFVSA-N 2 2 295.430 3.281 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926150677 638723689 /nfs/dbraw/zinc/72/36/89/638723689.db2.gz MOQHTBNUDWQVQW-VHDGCEQUSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926150677 638723697 /nfs/dbraw/zinc/72/36/97/638723697.db2.gz MOQHTBNUDWQVQW-VHDGCEQUSA-N 2 2 293.480 3.162 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](C1CCC1)C1CCCC1)CC2 ZINC000926229268 638747037 /nfs/dbraw/zinc/74/70/37/638747037.db2.gz LOBFKVAPBBMEMK-RDJZCZTQSA-N 2 2 273.424 3.146 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926523602 638780953 /nfs/dbraw/zinc/78/09/53/638780953.db2.gz GEJPUMMKGDZLDB-HZSPNIEDSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926523602 638780957 /nfs/dbraw/zinc/78/09/57/638780957.db2.gz GEJPUMMKGDZLDB-HZSPNIEDSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926714278 638802447 /nfs/dbraw/zinc/80/24/47/638802447.db2.gz LBFMWORUQCOGBD-KLHKWILBSA-N 2 2 294.483 3.044 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926738044 638805348 /nfs/dbraw/zinc/80/53/48/638805348.db2.gz RBUVNWBBBQCHMJ-RWMBFGLXSA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926738044 638805350 /nfs/dbraw/zinc/80/53/50/638805350.db2.gz RBUVNWBBBQCHMJ-RWMBFGLXSA-N 2 2 291.266 3.177 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746230 638806596 /nfs/dbraw/zinc/80/65/96/638806596.db2.gz QTTHGHGOQXQVBB-FGTMMUONSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746230 638806598 /nfs/dbraw/zinc/80/65/98/638806598.db2.gz QTTHGHGOQXQVBB-FGTMMUONSA-N 2 2 294.483 3.044 20 0 CGADLP C(C[C@@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000927123834 638845741 /nfs/dbraw/zinc/84/57/41/638845741.db2.gz CBSLCLWKIMGZGD-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C(C[C@@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000927123834 638845743 /nfs/dbraw/zinc/84/57/43/638845743.db2.gz CBSLCLWKIMGZGD-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929722363 638945079 /nfs/dbraw/zinc/94/50/79/638945079.db2.gz MIHVCBWKXQCXHW-ZFWWWQNUSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929722363 638945082 /nfs/dbraw/zinc/94/50/82/638945082.db2.gz MIHVCBWKXQCXHW-ZFWWWQNUSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000929722363 638945084 /nfs/dbraw/zinc/94/50/84/638945084.db2.gz MIHVCBWKXQCXHW-ZFWWWQNUSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000929722363 638945087 /nfs/dbraw/zinc/94/50/87/638945087.db2.gz MIHVCBWKXQCXHW-ZFWWWQNUSA-N 2 2 279.403 3.088 20 0 CGADLP C[NH+]1C[C@]2(C)C[NH+](CCc3ccccc3Cl)C[C@@]2(C)C1 ZINC000931305336 639133410 /nfs/dbraw/zinc/13/34/10/639133410.db2.gz DHTIKNGGONJEQY-IAGOWNOFSA-N 2 2 292.854 3.156 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931701120 639191888 /nfs/dbraw/zinc/19/18/88/639191888.db2.gz WUSZBMXSVHNBHO-UHFFFAOYSA-N 2 2 276.399 3.216 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931725813 639196725 /nfs/dbraw/zinc/19/67/25/639196725.db2.gz FCDAZSZIFRIGAO-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931725813 639196727 /nfs/dbraw/zinc/19/67/27/639196727.db2.gz FCDAZSZIFRIGAO-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000931725813 639196730 /nfs/dbraw/zinc/19/67/30/639196730.db2.gz FCDAZSZIFRIGAO-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1 ZINC000931725813 639196734 /nfs/dbraw/zinc/19/67/34/639196734.db2.gz FCDAZSZIFRIGAO-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CCc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)nc(C)[nH+]1 ZINC001155349195 805575056 /nfs/dbraw/zinc/57/50/56/805575056.db2.gz QPNUDHGSVCVMNA-LLVKDONJSA-N 2 2 280.375 3.311 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2cc3ccccc3c[nH+]2)C1 ZINC001156378235 805679923 /nfs/dbraw/zinc/67/99/23/805679923.db2.gz JOGXKTHMJUEVMA-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2cc3ccccc3c[nH+]2)C1 ZINC001156378235 805679924 /nfs/dbraw/zinc/67/99/24/805679924.db2.gz JOGXKTHMJUEVMA-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP CSCc1cc[nH+]c(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001156502048 805705169 /nfs/dbraw/zinc/70/51/69/805705169.db2.gz FTCGPDRRTOHZEE-UHFFFAOYSA-N 2 2 293.480 3.477 20 0 CGADLP Cc1nc(-n2cccc2C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001156731103 805729263 /nfs/dbraw/zinc/72/92/63/805729263.db2.gz YPBAXZUGKAOHRX-UHFFFAOYSA-N 2 2 270.380 3.082 20 0 CGADLP COCc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158265414 805932181 /nfs/dbraw/zinc/93/21/81/805932181.db2.gz HBGIVHSPDUUPDD-PBHICJAKSA-N 2 2 291.439 3.184 20 0 CGADLP COc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158270842 805933343 /nfs/dbraw/zinc/93/33/43/805933343.db2.gz VOONZDLZFSJQTO-WBMJQRKESA-N 2 2 277.412 3.046 20 0 CGADLP Cc1cc(C)cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1 ZINC001159261631 806069037 /nfs/dbraw/zinc/06/90/37/806069037.db2.gz NADWVMVSCVFCIL-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1cc(C)c(Nc2ccc3c(c2)C[NH2+]CC3)c[nH+]1 ZINC001159615723 806133375 /nfs/dbraw/zinc/13/33/75/806133375.db2.gz SKLGTPKQPPLVQP-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1C ZINC001253209362 806183088 /nfs/dbraw/zinc/18/30/88/806183088.db2.gz ASTDYCKIMXSNDZ-UKRRQHHQSA-N 2 2 298.858 3.002 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159923595 806200290 /nfs/dbraw/zinc/20/02/90/806200290.db2.gz QLASMSOKUOXANP-MRXNPFEDSA-N 2 2 283.375 3.183 20 0 CGADLP CCCCCC[C@H](C)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257369881 807127677 /nfs/dbraw/zinc/12/76/77/807127677.db2.gz WRBKWUFZBFBOTI-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@H](C)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257369881 807127681 /nfs/dbraw/zinc/12/76/81/807127681.db2.gz WRBKWUFZBFBOTI-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CC(C)n1ccc2c1nc[nH+]c2Nc1cccc(CC[NH3+])c1 ZINC001161078048 806347513 /nfs/dbraw/zinc/34/75/13/806347513.db2.gz WWBVUZACNPFJBV-UHFFFAOYSA-N 2 2 295.390 3.257 20 0 CGADLP CCC[C@@H](CCc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001254486192 806413821 /nfs/dbraw/zinc/41/38/21/806413821.db2.gz VFZKOYNQXHQAMH-INIZCTEOSA-N 2 2 271.408 3.358 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1Cl ZINC001254500292 806420817 /nfs/dbraw/zinc/42/08/17/806420817.db2.gz TZFKPROCRMTJSH-LBPRGKRZSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1Cl ZINC001254500292 806420822 /nfs/dbraw/zinc/42/08/22/806420822.db2.gz TZFKPROCRMTJSH-LBPRGKRZSA-N 2 2 284.806 3.361 20 0 CGADLP CCCCCC(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840840 806495906 /nfs/dbraw/zinc/49/59/06/806495906.db2.gz OZWLFSJTYAFJKQ-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccc(C(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840565 806494301 /nfs/dbraw/zinc/49/43/01/806494301.db2.gz JGPXPVIISNCDLV-MRXNPFEDSA-N 2 2 288.435 3.004 20 0 CGADLP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841847 806496011 /nfs/dbraw/zinc/49/60/11/806496011.db2.gz BPYACGWDLLTGLP-BBRMVZONSA-N 2 2 276.399 3.269 20 0 CGADLP c1oc2ccccc2c1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840670 806494720 /nfs/dbraw/zinc/49/47/20/806494720.db2.gz LUKNSBUEMYAMIT-INIZCTEOSA-N 2 2 284.403 3.049 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254841455 806495294 /nfs/dbraw/zinc/49/52/94/806495294.db2.gz WTIGRPXTJVCRHT-QGZVFWFLSA-N 2 2 272.436 3.304 20 0 CGADLP COc1cccc(C(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254842973 806495346 /nfs/dbraw/zinc/49/53/46/806495346.db2.gz DALOMLSGSOPAFM-INIZCTEOSA-N 2 2 288.435 3.004 20 0 CGADLP C(C[NH2+][C@@H]1CC2CC[NH+](CC2)C1)CC1CCCCC1 ZINC001254846961 806497234 /nfs/dbraw/zinc/49/72/34/806497234.db2.gz YZJVJGUHWNSJRR-QGZVFWFLSA-N 2 2 264.457 3.421 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254865515 806502397 /nfs/dbraw/zinc/50/23/97/806502397.db2.gz ZZOIHCXOAPIMNB-HKUYNNGSSA-N 2 2 284.447 3.480 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254865515 806502401 /nfs/dbraw/zinc/50/24/01/806502401.db2.gz ZZOIHCXOAPIMNB-HKUYNNGSSA-N 2 2 284.447 3.480 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001255301569 806600725 /nfs/dbraw/zinc/60/07/25/806600725.db2.gz NVAXHBMTEOKRQR-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001255301569 806600731 /nfs/dbraw/zinc/60/07/31/806600731.db2.gz NVAXHBMTEOKRQR-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP COC1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001255454688 806643801 /nfs/dbraw/zinc/64/38/01/806643801.db2.gz VQLCXRWVYMYHLT-UHFFFAOYSA-N 2 2 285.391 3.139 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(N[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC001162680629 806646789 /nfs/dbraw/zinc/64/67/89/806646789.db2.gz NYKJTGNIWWAXBW-UKRRQHHQSA-N 2 2 261.413 3.004 20 0 CGADLP Cc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)nc(C)[nH+]1 ZINC001162898844 806681386 /nfs/dbraw/zinc/68/13/86/806681386.db2.gz IRVSSKVTPXLFTG-LLVKDONJSA-N 2 2 266.348 3.057 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000037150521 798860063 /nfs/dbraw/zinc/86/00/63/798860063.db2.gz PORZWOMFHOZGDH-UHFFFAOYSA-N 2 2 264.388 3.180 20 0 CGADLP CC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000037156215 798860210 /nfs/dbraw/zinc/86/02/10/798860210.db2.gz YUTNMIMCLSKWQL-NRXISQOPSA-N 2 2 263.429 3.466 20 0 CGADLP CC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000037156217 798860891 /nfs/dbraw/zinc/86/08/91/798860891.db2.gz YUTNMIMCLSKWQL-YMAMQOFZSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1 ZINC000037156672 798861537 /nfs/dbraw/zinc/86/15/37/798861537.db2.gz ZXZORYUXGVPASA-CJNGLKHVSA-N 2 2 287.407 3.354 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000037156750 798862417 /nfs/dbraw/zinc/86/24/17/798862417.db2.gz UJGIQAKOKDKIML-RISCZKNCSA-N 2 2 292.452 3.414 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c2ccccc12 ZINC000146293567 799047649 /nfs/dbraw/zinc/04/76/49/799047649.db2.gz CUWWCTLEQVWVGJ-QWHCGFSZSA-N 2 2 255.365 3.225 20 0 CGADLP Cc1c[nH+]cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1C ZINC001163214924 806724119 /nfs/dbraw/zinc/72/41/19/806724119.db2.gz AEWDWGPSESQFKU-WBVHZDCISA-N 2 2 267.376 3.214 20 0 CGADLP CC(C)Oc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163226541 806728099 /nfs/dbraw/zinc/72/80/99/806728099.db2.gz IJVVOMOKRBLXMJ-CYBMUJFWSA-N 2 2 289.404 3.187 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001255752267 806735474 /nfs/dbraw/zinc/73/54/74/806735474.db2.gz YAGSUUNKCNTHNZ-OAHLLOKOSA-N 2 2 289.448 3.352 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccoc1)[N@H+](C)Cc1ccccc1 ZINC000379649325 799351473 /nfs/dbraw/zinc/35/14/73/799351473.db2.gz OLPUSCNTMPDYKK-OAHLLOKOSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccoc1)[N@@H+](C)Cc1ccccc1 ZINC000379649325 799351482 /nfs/dbraw/zinc/35/14/82/799351482.db2.gz OLPUSCNTMPDYKK-OAHLLOKOSA-N 2 2 272.392 3.280 20 0 CGADLP C([C@H]1CC[NH2+]1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000384810168 799418229 /nfs/dbraw/zinc/41/82/29/799418229.db2.gz FCUOYGDINPWADD-CQSZACIVSA-N 2 2 250.430 3.316 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001163367369 806750367 /nfs/dbraw/zinc/75/03/67/806750367.db2.gz YUHOTJICAMDNQT-HIFRSBDPSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001163367369 806750371 /nfs/dbraw/zinc/75/03/71/806750371.db2.gz YUHOTJICAMDNQT-HIFRSBDPSA-N 2 2 290.455 3.439 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001255839300 806763425 /nfs/dbraw/zinc/76/34/25/806763425.db2.gz UQOCDEIDJHFAKM-CYBMUJFWSA-N 2 2 283.350 3.194 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693905051 799817115 /nfs/dbraw/zinc/81/71/15/799817115.db2.gz AQLRETNWSPRSBV-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693905051 799817120 /nfs/dbraw/zinc/81/71/20/799817120.db2.gz AQLRETNWSPRSBV-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001255941396 806789496 /nfs/dbraw/zinc/78/94/96/806789496.db2.gz PVEPHXCQLIGSHK-BBRMVZONSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001255939796 806789872 /nfs/dbraw/zinc/78/98/72/806789872.db2.gz JVLAGKITOQRKJS-LBPRGKRZSA-N 2 2 270.367 3.175 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1cccc(C)n1 ZINC001255942814 806791296 /nfs/dbraw/zinc/79/12/96/806791296.db2.gz BHUHORYISCAUGB-LSDHHAIUSA-N 2 2 263.429 3.161 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)cc1F ZINC001255946982 806792833 /nfs/dbraw/zinc/79/28/33/806792833.db2.gz LTNUWJDSUNGSJM-AWEZNQCLSA-N 2 2 266.404 3.344 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000715554634 800138736 /nfs/dbraw/zinc/13/87/36/800138736.db2.gz WTRSUYZXVHTAGR-BPNCWPANSA-N 2 2 281.469 3.283 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000715725819 800146183 /nfs/dbraw/zinc/14/61/83/800146183.db2.gz QLTLYEBRXVNQHF-UHFFFAOYSA-N 2 2 281.831 3.089 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716273351 800167532 /nfs/dbraw/zinc/16/75/32/800167532.db2.gz WSJSGUUEDZYLMB-CRAIPNDOSA-N 2 2 272.436 3.287 20 0 CGADLP CC[N@H+](Cc1ccc(OC)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081027 806816677 /nfs/dbraw/zinc/81/66/77/806816677.db2.gz LNOPWHIQSAFULR-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256081027 806816685 /nfs/dbraw/zinc/81/66/85/806816685.db2.gz LNOPWHIQSAFULR-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000721594061 800296050 /nfs/dbraw/zinc/29/60/50/800296050.db2.gz NLGIWMWITNKDTR-ILXRZTDVSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000721594061 800296054 /nfs/dbraw/zinc/29/60/54/800296054.db2.gz NLGIWMWITNKDTR-ILXRZTDVSA-N 2 2 282.472 3.043 20 0 CGADLP CCCCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640624 800299443 /nfs/dbraw/zinc/29/94/43/800299443.db2.gz LFSOUINGIDEMSR-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721640624 800299445 /nfs/dbraw/zinc/29/94/45/800299445.db2.gz LFSOUINGIDEMSR-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722392229 800320205 /nfs/dbraw/zinc/32/02/05/800320205.db2.gz QWKHVUNXLWVESQ-AAEUAGOBSA-N 2 2 281.469 3.119 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207836 806850517 /nfs/dbraw/zinc/85/05/17/806850517.db2.gz UVUIPIVEKXMMMC-GOSISDBHSA-N 2 2 288.435 3.316 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207836 806850525 /nfs/dbraw/zinc/85/05/25/806850525.db2.gz UVUIPIVEKXMMMC-GOSISDBHSA-N 2 2 288.435 3.316 20 0 CGADLP C[C@@]1(C[NH3+])CCCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001164242702 806921939 /nfs/dbraw/zinc/92/19/39/806921939.db2.gz OPQIHIYZQHCSAA-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3ccsc3C2)CC1 ZINC001256574143 806920967 /nfs/dbraw/zinc/92/09/67/806920967.db2.gz USBUTXMWWWRRAE-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001256574143 806920969 /nfs/dbraw/zinc/92/09/69/806920969.db2.gz USBUTXMWWWRRAE-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP c1ccc(C[NH+]2CCC([N@@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001256605428 806923656 /nfs/dbraw/zinc/92/36/56/806923656.db2.gz GRJZTFSIDRSDQG-UHFFFAOYSA-N 2 2 270.420 3.137 20 0 CGADLP c1ccc(C[NH+]2CCC([N@H+]3CCC4(CC4)C3)CC2)cc1 ZINC001256605428 806923661 /nfs/dbraw/zinc/92/36/61/806923661.db2.gz GRJZTFSIDRSDQG-UHFFFAOYSA-N 2 2 270.420 3.137 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC001184265676 810186486 /nfs/dbraw/zinc/18/64/86/810186486.db2.gz VFDFWLFHZJOXLN-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC001184265676 810186489 /nfs/dbraw/zinc/18/64/89/810186489.db2.gz VFDFWLFHZJOXLN-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP Cc1cc(F)cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC001120862783 802788945 /nfs/dbraw/zinc/78/89/45/802788945.db2.gz NCZFOIHOQMGIBW-CQSZACIVSA-N 2 2 277.387 3.063 20 0 CGADLP Cc1cc(F)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC001120862783 802788951 /nfs/dbraw/zinc/78/89/51/802788951.db2.gz NCZFOIHOQMGIBW-CQSZACIVSA-N 2 2 277.387 3.063 20 0 CGADLP CNc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244828749 803540390 /nfs/dbraw/zinc/54/03/90/803540390.db2.gz MMKYRPIMYRJUJU-KRWDZBQOSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244828749 803540393 /nfs/dbraw/zinc/54/03/93/803540393.db2.gz MMKYRPIMYRJUJU-KRWDZBQOSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(-c2ccccc2C2([NH3+])CCC2)cc[nH+]1 ZINC001244977045 803600998 /nfs/dbraw/zinc/60/09/98/803600998.db2.gz PGIIHQKXQXZEFH-UHFFFAOYSA-N 2 2 253.349 3.128 20 0 CGADLP [NH3+]CCc1ccccc1-c1c[nH+]cn1Cc1ccccc1 ZINC001245196831 803661142 /nfs/dbraw/zinc/66/11/42/803661142.db2.gz HZQZNSIOWIKCEF-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP [NH3+]CCc1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001245198335 803661830 /nfs/dbraw/zinc/66/18/30/803661830.db2.gz BAQIZBLEAYCHOI-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC001137321211 803715497 /nfs/dbraw/zinc/71/54/97/803715497.db2.gz GDRXZTATGPGMDF-UHFFFAOYSA-N 2 2 275.440 3.082 20 0 CGADLP Cc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001137680116 803757927 /nfs/dbraw/zinc/75/79/27/803757927.db2.gz MSXNOCQDRYEAOG-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001137680116 803757934 /nfs/dbraw/zinc/75/79/34/803757934.db2.gz MSXNOCQDRYEAOG-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP c1cn2cccc(-c3ccc(C4CC[NH2+]CC4)cc3)c2[nH+]1 ZINC001245523271 803788749 /nfs/dbraw/zinc/78/87/49/803788749.db2.gz AWMQKMYCOKSXLF-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001138721929 804019063 /nfs/dbraw/zinc/01/90/63/804019063.db2.gz LOLMBDSJTUWIDF-CZUORRHYSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001138721929 804019070 /nfs/dbraw/zinc/01/90/70/804019070.db2.gz LOLMBDSJTUWIDF-CZUORRHYSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccncc1 ZINC001246075678 804114382 /nfs/dbraw/zinc/11/43/82/804114382.db2.gz KFXFNQVWYKRKAT-SUMDDJOVSA-N 2 2 295.430 3.210 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246097824 804130444 /nfs/dbraw/zinc/13/04/44/804130444.db2.gz NLVHMSPZWCDOIF-HIFRSBDPSA-N 2 2 282.378 3.221 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cccc(C)c12 ZINC001139198627 804159568 /nfs/dbraw/zinc/15/95/68/804159568.db2.gz IMYDVELFNCPSKR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cccc(C)c12 ZINC001139198627 804159572 /nfs/dbraw/zinc/15/95/72/804159572.db2.gz IMYDVELFNCPSKR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCCO4)cc2)c[nH+]1 ZINC001139356946 804181642 /nfs/dbraw/zinc/18/16/42/804181642.db2.gz UOQKKKKUBDXWGS-GOSISDBHSA-N 2 2 297.402 3.017 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCCO4)cc2)c[nH+]1 ZINC001139356946 804181647 /nfs/dbraw/zinc/18/16/47/804181647.db2.gz UOQKKKKUBDXWGS-GOSISDBHSA-N 2 2 297.402 3.017 20 0 CGADLP F[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139358732 804183595 /nfs/dbraw/zinc/18/35/95/804183595.db2.gz WNCVUPGEJJKPGZ-OAHLLOKOSA-N 2 2 273.355 3.196 20 0 CGADLP F[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139358732 804183593 /nfs/dbraw/zinc/18/35/93/804183593.db2.gz WNCVUPGEJJKPGZ-OAHLLOKOSA-N 2 2 273.355 3.196 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246169890 804184636 /nfs/dbraw/zinc/18/46/36/804184636.db2.gz OOCKDQVCMGQCOC-JSGCOSHPSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)C[NH2+]1 ZINC001246186395 804196491 /nfs/dbraw/zinc/19/64/91/804196491.db2.gz ZVRFEYYMWLJDPU-YPMHNXCESA-N 2 2 284.856 3.162 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC001246266344 804245684 /nfs/dbraw/zinc/24/56/84/804245684.db2.gz BMSTWNULPBBGFQ-CQSZACIVSA-N 2 2 266.454 3.065 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246272093 804249848 /nfs/dbraw/zinc/24/98/48/804249848.db2.gz KZYDDVCEELZVPI-CVEARBPZSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1c(F)ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC001246290535 804262139 /nfs/dbraw/zinc/26/21/39/804262139.db2.gz XUVYVGOVYKSVAL-UKRRQHHQSA-N 2 2 282.378 3.139 20 0 CGADLP Cc1c(F)ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246290509 804262854 /nfs/dbraw/zinc/26/28/54/804262854.db2.gz XUVYVGOVYKSVAL-HIFRSBDPSA-N 2 2 282.378 3.139 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2F)CC[NH2+]1 ZINC001246317875 804276649 /nfs/dbraw/zinc/27/66/49/804276649.db2.gz QGJNUBAVZAGMDH-ZOWXZIJZSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324586 804281923 /nfs/dbraw/zinc/28/19/23/804281923.db2.gz FQYNTHFQVSKEKL-XHDPSFHLSA-N 2 2 298.833 3.388 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335170 804289824 /nfs/dbraw/zinc/28/98/24/804289824.db2.gz HBDUOYIZAIIXJJ-DLBZAZTESA-N 2 2 292.492 3.083 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2F)CC[NH2+]1 ZINC001246355860 804301360 /nfs/dbraw/zinc/30/13/60/804301360.db2.gz FHRMGRZSMODPST-LSDHHAIUSA-N 2 2 294.414 3.235 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246403592 804321064 /nfs/dbraw/zinc/32/10/64/804321064.db2.gz HLFMXPRNSZZZIM-OAUYIBNBSA-N 2 2 276.399 3.397 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1c(F)cccc1F ZINC001246469433 804348252 /nfs/dbraw/zinc/34/82/52/804348252.db2.gz QGXKQUHHYLBQMP-GYSYKLTISA-N 2 2 268.351 3.146 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCCCCCC2)c1 ZINC001246511466 804367305 /nfs/dbraw/zinc/36/73/05/804367305.db2.gz QAQRACPCGDAJSO-QGZVFWFLSA-N 2 2 276.424 3.398 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246521809 804375177 /nfs/dbraw/zinc/37/51/77/804375177.db2.gz FKJHASZFTYBVOP-LBPRGKRZSA-N 2 2 287.234 3.002 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246521809 804375185 /nfs/dbraw/zinc/37/51/85/804375185.db2.gz FKJHASZFTYBVOP-LBPRGKRZSA-N 2 2 287.234 3.002 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)cc1O ZINC001140203885 804401709 /nfs/dbraw/zinc/40/17/09/804401709.db2.gz MUMROPNFRBJCEW-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)cc1O ZINC001140203885 804401713 /nfs/dbraw/zinc/40/17/13/804401713.db2.gz MUMROPNFRBJCEW-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246557152 804406211 /nfs/dbraw/zinc/40/62/11/804406211.db2.gz FDEINQAMZCDGLQ-GXTWGEPZSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246557152 804406214 /nfs/dbraw/zinc/40/62/14/804406214.db2.gz FDEINQAMZCDGLQ-GXTWGEPZSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559355 804408448 /nfs/dbraw/zinc/40/84/48/804408448.db2.gz PGGHBRTXEXJLNW-JSGCOSHPSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559355 804408452 /nfs/dbraw/zinc/40/84/52/804408452.db2.gz PGGHBRTXEXJLNW-JSGCOSHPSA-N 2 2 282.428 3.120 20 0 CGADLP [NH3+][C@@H]1C[C@H](F)C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575464 804422614 /nfs/dbraw/zinc/42/26/14/804422614.db2.gz CWRJBVDRFNGICN-RRFJBIMHSA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1C[C@H](F)C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575464 804422616 /nfs/dbraw/zinc/42/26/16/804422616.db2.gz CWRJBVDRFNGICN-RRFJBIMHSA-N 2 2 268.420 3.251 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246580464 804426200 /nfs/dbraw/zinc/42/62/00/804426200.db2.gz MXTNUYBIDRDFQA-QAPCUYQASA-N 2 2 292.442 3.333 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246580464 804426203 /nfs/dbraw/zinc/42/62/03/804426203.db2.gz MXTNUYBIDRDFQA-QAPCUYQASA-N 2 2 292.442 3.333 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589948 804431439 /nfs/dbraw/zinc/43/14/39/804431439.db2.gz QDFVBZOTNOQFQF-UPJWGTAASA-N 2 2 292.389 3.222 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589948 804431444 /nfs/dbraw/zinc/43/14/44/804431444.db2.gz QDFVBZOTNOQFQF-UPJWGTAASA-N 2 2 292.389 3.222 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589985 804431775 /nfs/dbraw/zinc/43/17/75/804431775.db2.gz QSYITTCTLIUTCA-TUVASFSCSA-N 2 2 274.399 3.069 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589985 804431779 /nfs/dbraw/zinc/43/17/79/804431779.db2.gz QSYITTCTLIUTCA-TUVASFSCSA-N 2 2 274.399 3.069 20 0 CGADLP COc1cc(F)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001140481726 804445759 /nfs/dbraw/zinc/44/57/59/804445759.db2.gz CFBYKEHAIBVYQQ-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cc(F)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001140481726 804445762 /nfs/dbraw/zinc/44/57/62/804445762.db2.gz CFBYKEHAIBVYQQ-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617391 804452196 /nfs/dbraw/zinc/45/21/96/804452196.db2.gz CDHVXBMMONTFQU-WBVHZDCISA-N 2 2 284.447 3.107 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637187 804465535 /nfs/dbraw/zinc/46/55/35/804465535.db2.gz PCSRXENNLCAIDE-WFASDCNBSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637187 804465541 /nfs/dbraw/zinc/46/55/41/804465541.db2.gz PCSRXENNLCAIDE-WFASDCNBSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637758 804465742 /nfs/dbraw/zinc/46/57/42/804465742.db2.gz JGNIEDKIJSVLGX-NILFDRSVSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637758 804465744 /nfs/dbraw/zinc/46/57/44/804465744.db2.gz JGNIEDKIJSVLGX-NILFDRSVSA-N 2 2 298.352 3.073 20 0 CGADLP CCCC[C@H](CC(C)C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649017 804477222 /nfs/dbraw/zinc/47/72/22/804477222.db2.gz ODSOZNUJOBNNIJ-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649017 804477224 /nfs/dbraw/zinc/47/72/24/804477224.db2.gz ODSOZNUJOBNNIJ-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246649320 804477366 /nfs/dbraw/zinc/47/73/66/804477366.db2.gz XMJAUWRKBZKMMT-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246649320 804477369 /nfs/dbraw/zinc/47/73/69/804477369.db2.gz XMJAUWRKBZKMMT-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H]1C ZINC001246662483 804485360 /nfs/dbraw/zinc/48/53/60/804485360.db2.gz JTWJPOQNTATJIR-WQJJYIMCSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H]1C ZINC001246662483 804485363 /nfs/dbraw/zinc/48/53/63/804485363.db2.gz JTWJPOQNTATJIR-WQJJYIMCSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001246684898 804495407 /nfs/dbraw/zinc/49/54/07/804495407.db2.gz YDVZZVPDMHHPQH-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001246684898 804495411 /nfs/dbraw/zinc/49/54/11/804495411.db2.gz YDVZZVPDMHHPQH-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246770682 804503153 /nfs/dbraw/zinc/50/31/53/804503153.db2.gz QXLXORVRNLPLRL-QDMKHBRRSA-N 2 2 278.827 3.445 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246770682 804503160 /nfs/dbraw/zinc/50/31/60/804503160.db2.gz QXLXORVRNLPLRL-QDMKHBRRSA-N 2 2 278.827 3.445 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771792 804504759 /nfs/dbraw/zinc/50/47/59/804504759.db2.gz ZSZOKMQNAZEWHF-ZIAGYGMSSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771792 804504762 /nfs/dbraw/zinc/50/47/62/804504762.db2.gz ZSZOKMQNAZEWHF-ZIAGYGMSSA-N 2 2 266.816 3.302 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)C[NH2+]1 ZINC001246786117 804511297 /nfs/dbraw/zinc/51/12/97/804511297.db2.gz LSVYQUVONCIPHS-FRRDWIJNSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2c2cccs2)C[NH2+]1 ZINC001246786117 804511300 /nfs/dbraw/zinc/51/13/00/804511300.db2.gz LSVYQUVONCIPHS-FRRDWIJNSA-N 2 2 250.411 3.026 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@H]2C1 ZINC001140799774 804518560 /nfs/dbraw/zinc/51/85/60/804518560.db2.gz LOUPEFNPPFVLDQ-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP COc1ccccc1C[N@@H+](C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140802863 804521155 /nfs/dbraw/zinc/52/11/55/804521155.db2.gz HFAGNMQJTFXUSK-UHFFFAOYSA-N 2 2 281.359 3.204 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC001246803448 804522938 /nfs/dbraw/zinc/52/29/38/804522938.db2.gz KJPGZNLMSMCXTJ-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246861288 804565052 /nfs/dbraw/zinc/56/50/52/804565052.db2.gz AUCGUAYINBRICX-UKPHBRMFSA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246861288 804565056 /nfs/dbraw/zinc/56/50/56/804565056.db2.gz AUCGUAYINBRICX-UKPHBRMFSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903619 804590422 /nfs/dbraw/zinc/59/04/22/804590422.db2.gz ZDZANKNQAGNWHP-TYNCELHUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903619 804590426 /nfs/dbraw/zinc/59/04/26/804590426.db2.gz ZDZANKNQAGNWHP-TYNCELHUSA-N 2 2 280.362 3.242 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246907158 804591597 /nfs/dbraw/zinc/59/15/97/804591597.db2.gz ILOVAQNJDCPYLC-VXGBXAGGSA-N 2 2 282.378 3.316 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246907158 804591601 /nfs/dbraw/zinc/59/16/01/804591601.db2.gz ILOVAQNJDCPYLC-VXGBXAGGSA-N 2 2 282.378 3.316 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246937630 804608742 /nfs/dbraw/zinc/60/87/42/804608742.db2.gz JKFANDBLBIBAQH-AXAPSJFSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246937630 804608746 /nfs/dbraw/zinc/60/87/46/804608746.db2.gz JKFANDBLBIBAQH-AXAPSJFSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246939829 804610690 /nfs/dbraw/zinc/61/06/90/804610690.db2.gz SKYXLEDKAASGIO-AXAPSJFSSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246939829 804610692 /nfs/dbraw/zinc/61/06/92/804610692.db2.gz SKYXLEDKAASGIO-AXAPSJFSSA-N 2 2 278.827 3.009 20 0 CGADLP CC(C)CC[C@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246948122 804614113 /nfs/dbraw/zinc/61/41/13/804614113.db2.gz IDOBNZHEJQAMEG-FUHWJXTLSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246948122 804614117 /nfs/dbraw/zinc/61/41/17/804614117.db2.gz IDOBNZHEJQAMEG-FUHWJXTLSA-N 2 2 289.467 3.460 20 0 CGADLP [NH3+]CCCc1[nH]c2ccc(OCc3ccccc3)cc2[nH+]1 ZINC001247010164 804638533 /nfs/dbraw/zinc/63/85/33/804638533.db2.gz RFXGPFZYDCJNKW-UHFFFAOYSA-N 2 2 281.359 3.033 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001142366976 804719818 /nfs/dbraw/zinc/71/98/18/804719818.db2.gz ADHREFKZXRNLCH-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001142366976 804719821 /nfs/dbraw/zinc/71/98/21/804719821.db2.gz ADHREFKZXRNLCH-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001142366976 804719823 /nfs/dbraw/zinc/71/98/23/804719823.db2.gz ADHREFKZXRNLCH-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001142366976 804719825 /nfs/dbraw/zinc/71/98/25/804719825.db2.gz ADHREFKZXRNLCH-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)cccc2n1 ZINC001248573895 804955657 /nfs/dbraw/zinc/95/56/57/804955657.db2.gz PGCYDYAHDGORKW-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)cccc2n1 ZINC001248573895 804955664 /nfs/dbraw/zinc/95/56/64/804955664.db2.gz PGCYDYAHDGORKW-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)cccc2n1 ZINC001248573895 804955670 /nfs/dbraw/zinc/95/56/70/804955670.db2.gz PGCYDYAHDGORKW-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)cccc2n1 ZINC001248573895 804955674 /nfs/dbraw/zinc/95/56/74/804955674.db2.gz PGCYDYAHDGORKW-LPHOPBHVSA-N 2 2 295.430 3.069 20 0 CGADLP Fc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c2ccccc12 ZINC001155057478 805530640 /nfs/dbraw/zinc/53/06/40/805530640.db2.gz KGPFYJOTUDVDLN-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP CCC(CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257298031 807092994 /nfs/dbraw/zinc/09/29/94/807092994.db2.gz FLFQBPWOGYNAIR-CQSZACIVSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001257298031 807093001 /nfs/dbraw/zinc/09/30/01/807093001.db2.gz FLFQBPWOGYNAIR-CQSZACIVSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001257298031 807093009 /nfs/dbraw/zinc/09/30/09/807093009.db2.gz FLFQBPWOGYNAIR-CQSZACIVSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001257298031 807093017 /nfs/dbraw/zinc/09/30/17/807093017.db2.gz FLFQBPWOGYNAIR-CQSZACIVSA-N 2 2 292.471 3.289 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257373744 807130977 /nfs/dbraw/zinc/13/09/77/807130977.db2.gz WLPOSHAENZMAIS-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257373744 807130980 /nfs/dbraw/zinc/13/09/80/807130980.db2.gz WLPOSHAENZMAIS-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257373744 807130985 /nfs/dbraw/zinc/13/09/85/807130985.db2.gz WLPOSHAENZMAIS-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257373744 807130987 /nfs/dbraw/zinc/13/09/87/807130987.db2.gz WLPOSHAENZMAIS-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP C[NH2+]Cc1cccc(Nc2[nH+]cnc3[nH]c(C)c(C)c32)c1 ZINC001167033387 807133723 /nfs/dbraw/zinc/13/37/23/807133723.db2.gz LXZKLZCBALBKFS-UHFFFAOYSA-N 2 2 281.363 3.038 20 0 CGADLP Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)c[nH+]c1C ZINC001167753489 807241739 /nfs/dbraw/zinc/24/17/39/807241739.db2.gz OVZSSWDCCUZFNI-AWEZNQCLSA-N 2 2 261.413 3.375 20 0 CGADLP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c[nH+]c1C ZINC001167753489 807241743 /nfs/dbraw/zinc/24/17/43/807241743.db2.gz OVZSSWDCCUZFNI-AWEZNQCLSA-N 2 2 261.413 3.375 20 0 CGADLP CCCCc1nc(NCc2ccc(N)[nH+]c2C)cc(C)[nH+]1 ZINC001167785469 807250126 /nfs/dbraw/zinc/25/01/26/807250126.db2.gz SQNWXYJJNGLFOT-UHFFFAOYSA-N 2 2 285.395 3.025 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC001258017718 807265841 /nfs/dbraw/zinc/26/58/41/807265841.db2.gz MZSUTAJMKQDUNJ-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001258017718 807265850 /nfs/dbraw/zinc/26/58/50/807265850.db2.gz MZSUTAJMKQDUNJ-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP COc1cccc2c1C[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258017355 807265905 /nfs/dbraw/zinc/26/59/05/807265905.db2.gz FNTAXDSUSRFBJZ-UHFFFAOYSA-N 2 2 288.435 3.131 20 0 CGADLP COc1cccc2c1C[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258017355 807265908 /nfs/dbraw/zinc/26/59/08/807265908.db2.gz FNTAXDSUSRFBJZ-UHFFFAOYSA-N 2 2 288.435 3.131 20 0 CGADLP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCCC13CC3)C2 ZINC001167994991 807294917 /nfs/dbraw/zinc/29/49/17/807294917.db2.gz SNAQXQNIVYPYEW-SJPCQFCGSA-N 2 2 274.452 3.410 20 0 CGADLP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCCC13CC3)C2 ZINC001167994991 807294923 /nfs/dbraw/zinc/29/49/23/807294923.db2.gz SNAQXQNIVYPYEW-SJPCQFCGSA-N 2 2 274.452 3.410 20 0 CGADLP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCCCC13CC3)C2 ZINC001167994991 807294929 /nfs/dbraw/zinc/29/49/29/807294929.db2.gz SNAQXQNIVYPYEW-SJPCQFCGSA-N 2 2 274.452 3.410 20 0 CGADLP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCCCC13CC3)C2 ZINC001167994991 807294933 /nfs/dbraw/zinc/29/49/33/807294933.db2.gz SNAQXQNIVYPYEW-SJPCQFCGSA-N 2 2 274.452 3.410 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2F)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015648 807301327 /nfs/dbraw/zinc/30/13/27/807301327.db2.gz RXEUNAXPELYUGX-IMPMIVQMSA-N 2 2 276.399 3.128 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015648 807301336 /nfs/dbraw/zinc/30/13/36/807301336.db2.gz RXEUNAXPELYUGX-IMPMIVQMSA-N 2 2 276.399 3.128 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H](C)C1 ZINC001258163441 807331193 /nfs/dbraw/zinc/33/11/93/807331193.db2.gz MCXWUZICJHPHAT-STQMWFEESA-N 2 2 257.381 3.249 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001168204428 807348533 /nfs/dbraw/zinc/34/85/33/807348533.db2.gz QYJJBCIGCOWQGV-BCLQGDPASA-N 2 2 250.430 3.029 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001168204428 807348541 /nfs/dbraw/zinc/34/85/41/807348541.db2.gz QYJJBCIGCOWQGV-BCLQGDPASA-N 2 2 250.430 3.029 20 0 CGADLP CSCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258210623 807366633 /nfs/dbraw/zinc/36/66/33/807366633.db2.gz AZOLTTCMZKNQTB-GFCCVEGCSA-N 2 2 275.421 3.323 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001168600825 807453192 /nfs/dbraw/zinc/45/31/92/807453192.db2.gz FPEBDGNIDUYZDJ-IRXDYDNUSA-N 2 2 298.434 3.372 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH+](CC)CC ZINC001258648485 807521147 /nfs/dbraw/zinc/52/11/47/807521147.db2.gz CFWNVDLZJLXVDV-KRWDZBQOSA-N 2 2 262.441 3.329 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258653532 807524638 /nfs/dbraw/zinc/52/46/38/807524638.db2.gz UQGOSOGPFMSDAC-MOPGFXCFSA-N 2 2 286.463 3.472 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258653532 807524644 /nfs/dbraw/zinc/52/46/44/807524644.db2.gz UQGOSOGPFMSDAC-MOPGFXCFSA-N 2 2 286.463 3.472 20 0 CGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258696223 807552017 /nfs/dbraw/zinc/55/20/17/807552017.db2.gz CIBCXSFTOZJXPD-NVXWUHKLSA-N 2 2 296.499 3.244 20 0 CGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258696223 807552022 /nfs/dbraw/zinc/55/20/22/807552022.db2.gz CIBCXSFTOZJXPD-NVXWUHKLSA-N 2 2 296.499 3.244 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155590 807595787 /nfs/dbraw/zinc/59/57/87/807595787.db2.gz RVBRNWWBPRFZDU-BTTYYORXSA-N 2 2 276.811 3.281 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155590 807595790 /nfs/dbraw/zinc/59/57/90/807595790.db2.gz RVBRNWWBPRFZDU-BTTYYORXSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155590 807595791 /nfs/dbraw/zinc/59/57/91/807595791.db2.gz RVBRNWWBPRFZDU-BTTYYORXSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155590 807595792 /nfs/dbraw/zinc/59/57/92/807595792.db2.gz RVBRNWWBPRFZDU-BTTYYORXSA-N 2 2 276.811 3.281 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001169230820 807609528 /nfs/dbraw/zinc/60/95/28/807609528.db2.gz KKJABIGFODRUJR-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2F)CC1 ZINC001169239023 807613065 /nfs/dbraw/zinc/61/30/65/807613065.db2.gz PRYTYOXMVVVDRU-UHFFFAOYSA-N 2 2 264.388 3.135 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001169261488 807618344 /nfs/dbraw/zinc/61/83/44/807618344.db2.gz HIAUEPVWGCKXPF-UHFFFAOYSA-N 2 2 276.449 3.079 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCSc3ccccc3C2)CC1 ZINC001169261488 807618348 /nfs/dbraw/zinc/61/83/48/807618348.db2.gz HIAUEPVWGCKXPF-UHFFFAOYSA-N 2 2 276.449 3.079 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258797194 807618889 /nfs/dbraw/zinc/61/88/89/807618889.db2.gz KUUORUQSVQWARL-FZKCQIBNSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258797194 807618891 /nfs/dbraw/zinc/61/88/91/807618891.db2.gz KUUORUQSVQWARL-FZKCQIBNSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258797194 807618894 /nfs/dbraw/zinc/61/88/94/807618894.db2.gz KUUORUQSVQWARL-FZKCQIBNSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258797194 807618896 /nfs/dbraw/zinc/61/88/96/807618896.db2.gz KUUORUQSVQWARL-FZKCQIBNSA-N 2 2 252.446 3.227 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803021 807623274 /nfs/dbraw/zinc/62/32/74/807623274.db2.gz JHWJVFPMBHZVDE-UHFFFAOYSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C(C)C)CC1)C2 ZINC001258803021 807623276 /nfs/dbraw/zinc/62/32/76/807623276.db2.gz JHWJVFPMBHZVDE-UHFFFAOYSA-N 2 2 261.413 3.222 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258809787 807629287 /nfs/dbraw/zinc/62/92/87/807629287.db2.gz BXTRTZQBAFCGNF-PMPSAXMXSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001258831100 807646919 /nfs/dbraw/zinc/64/69/19/807646919.db2.gz ZGFUWBMOOFQLJI-GOEBONIOSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001258831100 807646923 /nfs/dbraw/zinc/64/69/23/807646923.db2.gz ZGFUWBMOOFQLJI-GOEBONIOSA-N 2 2 252.446 3.370 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258886702 807664573 /nfs/dbraw/zinc/66/45/73/807664573.db2.gz RFHAFMDXBQEQQM-AWEZNQCLSA-N 2 2 295.386 3.064 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccn1C1CC1 ZINC001261256187 807722937 /nfs/dbraw/zinc/72/29/37/807722937.db2.gz ZPTZBIGIMOQJCL-UHFFFAOYSA-N 2 2 277.456 3.377 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccn1C1CC1 ZINC001261256187 807722938 /nfs/dbraw/zinc/72/29/38/807722938.db2.gz ZPTZBIGIMOQJCL-UHFFFAOYSA-N 2 2 277.456 3.377 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001170113061 807761610 /nfs/dbraw/zinc/76/16/10/807761610.db2.gz MABZSFUYAYBRIU-RHSMWYFYSA-N 2 2 288.435 3.135 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001170250279 807804757 /nfs/dbraw/zinc/80/47/57/807804757.db2.gz JHNZXXMEOFURCP-KBPBESRZSA-N 2 2 280.843 3.345 20 0 CGADLP CCO[C@H](C[NH2+][C@H](C)c1ccccc1SC)C[NH+](C)C ZINC001262206857 807837979 /nfs/dbraw/zinc/83/79/79/807837979.db2.gz MWUVBNJVWKEMCA-ZIAGYGMSSA-N 2 2 296.480 3.026 20 0 CGADLP c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)n(C2CC2)c1 ZINC001262374910 807861991 /nfs/dbraw/zinc/86/19/91/807861991.db2.gz SJRXSGNLPQEJAI-UHFFFAOYSA-N 2 2 296.418 3.295 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170941345 807940966 /nfs/dbraw/zinc/94/09/66/807940966.db2.gz CDRNDTFLOLPIIA-MRXNPFEDSA-N 2 2 290.426 3.005 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170969416 807948150 /nfs/dbraw/zinc/94/81/50/807948150.db2.gz HNYXPKNTZYPBAR-CVEARBPZSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170969416 807948158 /nfs/dbraw/zinc/94/81/58/807948158.db2.gz HNYXPKNTZYPBAR-CVEARBPZSA-N 2 2 290.426 3.003 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171558206 808095570 /nfs/dbraw/zinc/09/55/70/808095570.db2.gz CXBQAUKQFYJDKP-QZTJIDSGSA-N 2 2 298.474 3.459 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171558206 808095577 /nfs/dbraw/zinc/09/55/77/808095577.db2.gz CXBQAUKQFYJDKP-QZTJIDSGSA-N 2 2 298.474 3.459 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172321596 808230687 /nfs/dbraw/zinc/23/06/87/808230687.db2.gz MBEJRQQSPHPHSG-HZPDHXFCSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172321596 808230693 /nfs/dbraw/zinc/23/06/93/808230693.db2.gz MBEJRQQSPHPHSG-HZPDHXFCSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172335493 808237873 /nfs/dbraw/zinc/23/78/73/808237873.db2.gz JYDOLUHYXPGSRY-XHSDSOJGSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172335493 808237876 /nfs/dbraw/zinc/23/78/76/808237876.db2.gz JYDOLUHYXPGSRY-XHSDSOJGSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172354933 808251234 /nfs/dbraw/zinc/25/12/34/808251234.db2.gz TVBCANVKKRFTIT-GJZGRUSLSA-N 2 2 279.428 3.114 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172356474 808252546 /nfs/dbraw/zinc/25/25/46/808252546.db2.gz YUIFMWDJGGSTJP-ILXRZTDVSA-N 2 2 279.428 3.116 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172387516 808280322 /nfs/dbraw/zinc/28/03/22/808280322.db2.gz LDPVQDFLSGLVEC-MRXNPFEDSA-N 2 2 284.488 3.172 20 0 CGADLP CC[C@H](CC(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172393623 808284069 /nfs/dbraw/zinc/28/40/69/808284069.db2.gz AXTSYLPMHIFVLT-OAHLLOKOSA-N 2 2 275.440 3.465 20 0 CGADLP CC[C@H](CC(C)C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172404828 808293716 /nfs/dbraw/zinc/29/37/16/808293716.db2.gz MBEVNNGNUPTDGV-OAHLLOKOSA-N 2 2 275.440 3.465 20 0 CGADLP CC(C)COCC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172481704 808344802 /nfs/dbraw/zinc/34/48/02/808344802.db2.gz VLILXKCYVJMCQF-INIZCTEOSA-N 2 2 284.488 3.242 20 0 CGADLP CC(C)COCC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172481704 808344809 /nfs/dbraw/zinc/34/48/09/808344809.db2.gz VLILXKCYVJMCQF-INIZCTEOSA-N 2 2 284.488 3.242 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)CC2 ZINC001172823993 808446975 /nfs/dbraw/zinc/44/69/75/808446975.db2.gz OJOREXONYYSSDF-IBGZPJMESA-N 2 2 286.463 3.174 20 0 CGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(F)cc2Cl)c1CC[NH3+] ZINC001172863006 808465791 /nfs/dbraw/zinc/46/57/91/808465791.db2.gz KUOXSWCRHKYDDZ-SNVBAGLBSA-N 2 2 295.789 3.289 20 0 CGADLP CO[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949058 808493628 /nfs/dbraw/zinc/49/36/28/808493628.db2.gz HPKBIIVSEVUPEL-ZWKOTPCHSA-N 2 2 299.418 3.262 20 0 CGADLP CO[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949058 808493632 /nfs/dbraw/zinc/49/36/32/808493632.db2.gz HPKBIIVSEVUPEL-ZWKOTPCHSA-N 2 2 299.418 3.262 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001173237390 808546121 /nfs/dbraw/zinc/54/61/21/808546121.db2.gz IUJVNOLXSYZMOR-HNNXBMFYSA-N 2 2 271.408 3.056 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001173245000 808552102 /nfs/dbraw/zinc/55/21/02/808552102.db2.gz FXIJWLWFPPVXLI-IPELMVKDSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001173245000 808552107 /nfs/dbraw/zinc/55/21/07/808552107.db2.gz FXIJWLWFPPVXLI-IPELMVKDSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001173245000 808552111 /nfs/dbraw/zinc/55/21/11/808552111.db2.gz FXIJWLWFPPVXLI-IPELMVKDSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001173245000 808552115 /nfs/dbraw/zinc/55/21/15/808552115.db2.gz FXIJWLWFPPVXLI-IPELMVKDSA-N 2 2 286.463 3.206 20 0 CGADLP CC[C@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001173285240 808585347 /nfs/dbraw/zinc/58/53/47/808585347.db2.gz VHNCRIDUNDUKCM-ZFWWWQNUSA-N 2 2 291.414 3.358 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173345384 808622861 /nfs/dbraw/zinc/62/28/61/808622861.db2.gz FLTVOBIVKKNARV-HNNXBMFYSA-N 2 2 275.440 3.445 20 0 CGADLP c1cn(Cc2ccc(Nc3ccc4[nH+]ccn4c3)cc2)c[nH+]1 ZINC001174279157 808928468 /nfs/dbraw/zinc/92/84/68/808928468.db2.gz QJYJMFCVPLVABB-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP CC(C)n1c[nH+]c2cc(N(C)c3cc(N)cc[nH+]3)ccc21 ZINC001174382481 808985560 /nfs/dbraw/zinc/98/55/60/808985560.db2.gz RTLQQGNJROYCAE-UHFFFAOYSA-N 2 2 281.363 3.362 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630775 809022914 /nfs/dbraw/zinc/02/29/14/809022914.db2.gz MTHYUXKCEXGGNO-HOCLYGCPSA-N 2 2 290.838 3.081 20 0 CGADLP C[N@H+]1CCC2(C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630775 809022922 /nfs/dbraw/zinc/02/29/22/809022922.db2.gz MTHYUXKCEXGGNO-HOCLYGCPSA-N 2 2 290.838 3.081 20 0 CGADLP Nc1cccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001276861279 809040511 /nfs/dbraw/zinc/04/05/11/809040511.db2.gz ORPJIAHUSALQTK-UHFFFAOYSA-N 2 2 299.462 3.109 20 0 CGADLP Nc1cccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001276861279 809040518 /nfs/dbraw/zinc/04/05/18/809040518.db2.gz ORPJIAHUSALQTK-UHFFFAOYSA-N 2 2 299.462 3.109 20 0 CGADLP Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc(C)[nH+]1 ZINC001176055500 809609906 /nfs/dbraw/zinc/60/99/06/809609906.db2.gz GGALAKTXRFPQPR-UHFFFAOYSA-N 2 2 278.359 3.109 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001176290502 809662302 /nfs/dbraw/zinc/66/23/02/809662302.db2.gz ILABHZGQLPBYOM-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001176290327 809662413 /nfs/dbraw/zinc/66/24/13/809662413.db2.gz DBPBSYDADOAALE-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CCc1ccc[nH+]c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176291524 809663469 /nfs/dbraw/zinc/66/34/69/809663469.db2.gz CUTVAGBBGSPHOR-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2(C)CCCC2)CC1 ZINC001183179498 810138655 /nfs/dbraw/zinc/13/86/55/810138655.db2.gz FJCJQCVWCJYSKP-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001183500202 810150414 /nfs/dbraw/zinc/15/04/14/810150414.db2.gz QTOBXPDSLUDERI-UHFFFAOYSA-N 2 2 290.426 3.448 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001198769878 811542311 /nfs/dbraw/zinc/54/23/11/811542311.db2.gz OTTWZILBFHZFSB-UHFFFAOYSA-N 2 2 291.345 3.078 20 0 CGADLP COCCCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790220 811544063 /nfs/dbraw/zinc/54/40/63/811544063.db2.gz DMWXAYHGUHVXJL-HNNXBMFYSA-N 2 2 293.455 3.244 20 0 CGADLP COCCCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790220 811544066 /nfs/dbraw/zinc/54/40/66/811544066.db2.gz DMWXAYHGUHVXJL-HNNXBMFYSA-N 2 2 293.455 3.244 20 0 CGADLP C[C@@H]1CC([NH2+]CCCNc2cccc[nH+]2)C[C@@H](C)C1 ZINC001200900692 811762893 /nfs/dbraw/zinc/76/28/93/811762893.db2.gz AACJLNYEUVGTKV-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP CCN(C)c1ccc(Nc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC001201392323 811826003 /nfs/dbraw/zinc/82/60/03/811826003.db2.gz ZZSJBCJTHONYLL-UHFFFAOYSA-N 2 2 284.407 3.343 20 0 CGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC(C)(C)C)[C@@H]2C ZINC001201436530 811844090 /nfs/dbraw/zinc/84/40/90/811844090.db2.gz ZLDVMCLCCWLFJH-CQSZACIVSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC(C)(C)C)[C@@H]2C ZINC001201436530 811844099 /nfs/dbraw/zinc/84/40/99/811844099.db2.gz ZLDVMCLCCWLFJH-CQSZACIVSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC(C)(C)C)[C@@H]2C ZINC001201436530 811844108 /nfs/dbraw/zinc/84/41/08/811844108.db2.gz ZLDVMCLCCWLFJH-CQSZACIVSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC(C)(C)C)[C@@H]2C ZINC001201436530 811844122 /nfs/dbraw/zinc/84/41/22/811844122.db2.gz ZLDVMCLCCWLFJH-CQSZACIVSA-N 2 2 292.471 3.146 20 0 CGADLP COCC[N@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201489865 811862744 /nfs/dbraw/zinc/86/27/44/811862744.db2.gz HRFJBACHAQLGQA-KRWDZBQOSA-N 2 2 296.499 3.412 20 0 CGADLP COCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201489865 811862750 /nfs/dbraw/zinc/86/27/50/811862750.db2.gz HRFJBACHAQLGQA-KRWDZBQOSA-N 2 2 296.499 3.412 20 0 CGADLP CCC[C@@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201539918 811891654 /nfs/dbraw/zinc/89/16/54/811891654.db2.gz XYWJRWYVFZTNAS-CQSZACIVSA-N 2 2 262.397 3.361 20 0 CGADLP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731355 811949869 /nfs/dbraw/zinc/94/98/69/811949869.db2.gz PMOBGYFUGNLZPE-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731355 811949871 /nfs/dbraw/zinc/94/98/71/811949871.db2.gz PMOBGYFUGNLZPE-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201731355 811949874 /nfs/dbraw/zinc/94/98/74/811949874.db2.gz PMOBGYFUGNLZPE-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201731355 811949877 /nfs/dbraw/zinc/94/98/77/811949877.db2.gz PMOBGYFUGNLZPE-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP CCc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)on1 ZINC001203226086 812272382 /nfs/dbraw/zinc/27/23/82/812272382.db2.gz DKLFTDHFUYVJRM-HOTGVXAUSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)on1 ZINC001203226086 812272387 /nfs/dbraw/zinc/27/23/87/812272387.db2.gz DKLFTDHFUYVJRM-HOTGVXAUSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)on1 ZINC001203226086 812272393 /nfs/dbraw/zinc/27/23/93/812272393.db2.gz DKLFTDHFUYVJRM-HOTGVXAUSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)on1 ZINC001203226086 812272397 /nfs/dbraw/zinc/27/23/97/812272397.db2.gz DKLFTDHFUYVJRM-HOTGVXAUSA-N 2 2 291.439 3.076 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@H]3C2)cc1 ZINC001203276821 812287685 /nfs/dbraw/zinc/28/76/85/812287685.db2.gz HUAUCANUIKPUQC-QZTJIDSGSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)cc1 ZINC001203276913 812288523 /nfs/dbraw/zinc/28/85/23/812288523.db2.gz HUAUCANUIKPUQC-ROUUACIJSA-N 2 2 296.414 3.152 20 0 CGADLP CC(C)[N@H+](Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001203359826 812323255 /nfs/dbraw/zinc/32/32/55/812323255.db2.gz IVHJDBQHKVZUOV-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)[N@@H+](Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001203359826 812323264 /nfs/dbraw/zinc/32/32/64/812323264.db2.gz IVHJDBQHKVZUOV-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP Cc1[nH+]cc(Nc2ccc([NH+]3CCCCC3)cc2)n1C ZINC001203718324 812440338 /nfs/dbraw/zinc/44/03/38/812440338.db2.gz CDIZTIXNKIPQAX-UHFFFAOYSA-N 2 2 270.380 3.462 20 0 CGADLP Cc1ccc(O)c(Nc2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001203773131 812459399 /nfs/dbraw/zinc/45/93/99/812459399.db2.gz FVQNFYADOLDGHC-UHFFFAOYSA-N 2 2 283.375 3.435 20 0 CGADLP Cc1c(F)cccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001204512323 812661342 /nfs/dbraw/zinc/66/13/42/812661342.db2.gz DGCIDYWETWYDCH-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1c(F)cccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001204512323 812661375 /nfs/dbraw/zinc/66/13/75/812661375.db2.gz DGCIDYWETWYDCH-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@@](C)([NH3+])C3)ccc21 ZINC001204772918 812732217 /nfs/dbraw/zinc/73/22/17/812732217.db2.gz ZYNXAJBRIGFFHR-LJQANCHMSA-N 2 2 293.414 3.255 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@](C)([NH3+])C3)ccc21 ZINC001204772918 812732223 /nfs/dbraw/zinc/73/22/23/812732223.db2.gz ZYNXAJBRIGFFHR-LJQANCHMSA-N 2 2 293.414 3.255 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001204932293 812781850 /nfs/dbraw/zinc/78/18/50/812781850.db2.gz IZOOBGGQXHRJBX-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001204932293 812781856 /nfs/dbraw/zinc/78/18/56/812781856.db2.gz IZOOBGGQXHRJBX-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204940449 812788259 /nfs/dbraw/zinc/78/82/59/812788259.db2.gz XMRVQWIDFCNEHI-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204940449 812788261 /nfs/dbraw/zinc/78/82/61/812788261.db2.gz XMRVQWIDFCNEHI-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205101522 812864227 /nfs/dbraw/zinc/86/42/27/812864227.db2.gz HUWKSKXONJVHMW-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205101522 812864234 /nfs/dbraw/zinc/86/42/34/812864234.db2.gz HUWKSKXONJVHMW-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205150561 812887671 /nfs/dbraw/zinc/88/76/71/812887671.db2.gz FRAFEUODXMRWFF-WDEREUQCSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205150561 812887678 /nfs/dbraw/zinc/88/76/78/812887678.db2.gz FRAFEUODXMRWFF-WDEREUQCSA-N 2 2 287.234 3.328 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205201608 812907095 /nfs/dbraw/zinc/90/70/95/812907095.db2.gz GTEPSPWVODZHPK-DNVCBOLYSA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001205201608 812907098 /nfs/dbraw/zinc/90/70/98/812907098.db2.gz GTEPSPWVODZHPK-DNVCBOLYSA-N 2 2 296.414 3.187 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205331796 812958584 /nfs/dbraw/zinc/95/85/84/812958584.db2.gz JOCNOJOQHDCSFH-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)c2)cc1 ZINC001205331796 812958589 /nfs/dbraw/zinc/95/85/89/812958589.db2.gz JOCNOJOQHDCSFH-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001205541957 812998135 /nfs/dbraw/zinc/99/81/35/812998135.db2.gz VDRDPOQYMSPVRI-JKSUJKDBSA-N 2 2 296.499 3.292 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001205541957 812998138 /nfs/dbraw/zinc/99/81/38/812998138.db2.gz VDRDPOQYMSPVRI-JKSUJKDBSA-N 2 2 296.499 3.292 20 0 CGADLP CCCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205806853 813088658 /nfs/dbraw/zinc/08/86/58/813088658.db2.gz WGOGKPHRFSFZMP-GDBMZVCRSA-N 2 2 276.424 3.035 20 0 CGADLP CCCOc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205806853 813088665 /nfs/dbraw/zinc/08/86/65/813088665.db2.gz WGOGKPHRFSFZMP-GDBMZVCRSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205814957 813091372 /nfs/dbraw/zinc/09/13/72/813091372.db2.gz DZEYVGXDLUNGFP-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205814957 813091383 /nfs/dbraw/zinc/09/13/83/813091383.db2.gz DZEYVGXDLUNGFP-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814480 813092459 /nfs/dbraw/zinc/09/24/59/813092459.db2.gz CFUBVTOONJKXAB-YPMHNXCESA-N 2 2 291.826 3.381 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814480 813092469 /nfs/dbraw/zinc/09/24/69/813092469.db2.gz CFUBVTOONJKXAB-YPMHNXCESA-N 2 2 291.826 3.381 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205816216 813092602 /nfs/dbraw/zinc/09/26/02/813092602.db2.gz KONGUGYFVDEWKK-WBVHZDCISA-N 2 2 290.451 3.281 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205816216 813092609 /nfs/dbraw/zinc/09/26/09/813092609.db2.gz KONGUGYFVDEWKK-WBVHZDCISA-N 2 2 290.451 3.281 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC001205868805 813114012 /nfs/dbraw/zinc/11/40/12/813114012.db2.gz SDCNGFVCQDZTBQ-DOMZBBRYSA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC001205868805 813114017 /nfs/dbraw/zinc/11/40/17/813114017.db2.gz SDCNGFVCQDZTBQ-DOMZBBRYSA-N 2 2 266.454 3.260 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001205903238 813124092 /nfs/dbraw/zinc/12/40/92/813124092.db2.gz NSNCSVPCVNJZEU-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001205903238 813124097 /nfs/dbraw/zinc/12/40/97/813124097.db2.gz NSNCSVPCVNJZEU-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cnc1-c1ccccc1 ZINC001205939884 813141864 /nfs/dbraw/zinc/14/18/64/813141864.db2.gz VHMGWUOQKVBMHU-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]([NH3+])C2)cnc1-c1ccccc1 ZINC001205939884 813141868 /nfs/dbraw/zinc/14/18/68/813141868.db2.gz VHMGWUOQKVBMHU-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1ccc(/C=C/c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001206161023 813219416 /nfs/dbraw/zinc/21/94/16/813219416.db2.gz QBKRJSLMLYQTDJ-VOTSOKGWSA-N 2 2 289.382 3.500 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269555 813266149 /nfs/dbraw/zinc/26/61/49/813266149.db2.gz QSXGBAWZFMMJMN-MRXNPFEDSA-N 2 2 290.451 3.297 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269555 813266156 /nfs/dbraw/zinc/26/61/56/813266156.db2.gz QSXGBAWZFMMJMN-MRXNPFEDSA-N 2 2 290.451 3.297 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3occc3c2)C1 ZINC001206352023 813300768 /nfs/dbraw/zinc/30/07/68/813300768.db2.gz MJQXSMKGHRTFLV-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001206352023 813300773 /nfs/dbraw/zinc/30/07/73/813300773.db2.gz MJQXSMKGHRTFLV-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP CC[N@@H+]1CCC[C@@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC001206588891 813365890 /nfs/dbraw/zinc/36/58/90/813365890.db2.gz CZUOXBLJQZHYBM-CQSZACIVSA-N 2 2 259.397 3.164 20 0 CGADLP CC[N@H+]1CCC[C@@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC001206588891 813365895 /nfs/dbraw/zinc/36/58/95/813365895.db2.gz CZUOXBLJQZHYBM-CQSZACIVSA-N 2 2 259.397 3.164 20 0 CGADLP CC(C)SCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001206691409 813400166 /nfs/dbraw/zinc/40/01/66/813400166.db2.gz ITPGKZKNWOYZFL-HNNXBMFYSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)SCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001206691409 813400172 /nfs/dbraw/zinc/40/01/72/813400172.db2.gz ITPGKZKNWOYZFL-HNNXBMFYSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206767596 813430497 /nfs/dbraw/zinc/43/04/97/813430497.db2.gz CFMFZPPPJNWFBV-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206767596 813430500 /nfs/dbraw/zinc/43/05/00/813430500.db2.gz CFMFZPPPJNWFBV-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2cncc(F)c2)C2CCCC2)CC1 ZINC001207025822 813467260 /nfs/dbraw/zinc/46/72/60/813467260.db2.gz RSDCXOYPBOZYES-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2cncc(F)c2)C2CCCC2)CC1 ZINC001207025822 813467265 /nfs/dbraw/zinc/46/72/65/813467265.db2.gz RSDCXOYPBOZYES-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC001207132197 813494219 /nfs/dbraw/zinc/49/42/19/813494219.db2.gz SQSPGZURSCIWOL-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC001207132197 813494224 /nfs/dbraw/zinc/49/42/24/813494224.db2.gz SQSPGZURSCIWOL-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[N@H+](CC1(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001207838353 813657751 /nfs/dbraw/zinc/65/77/51/813657751.db2.gz IEBRLSDIJSXVGN-UHFFFAOYSA-N 2 2 272.436 3.134 20 0 CGADLP CC[N@@H+](CC1(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001207838353 813657756 /nfs/dbraw/zinc/65/77/56/813657756.db2.gz IEBRLSDIJSXVGN-UHFFFAOYSA-N 2 2 272.436 3.134 20 0 CGADLP CC[N@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208176230 813727390 /nfs/dbraw/zinc/72/73/90/813727390.db2.gz PLYDPDBZPDGTGH-HOTGVXAUSA-N 2 2 264.457 3.395 20 0 CGADLP CC[N@@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208176230 813727393 /nfs/dbraw/zinc/72/73/93/813727393.db2.gz PLYDPDBZPDGTGH-HOTGVXAUSA-N 2 2 264.457 3.395 20 0 CGADLP CC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC001208902421 813890650 /nfs/dbraw/zinc/89/06/50/813890650.db2.gz ITUJRXOUGPSBPQ-UHFFFAOYSA-N 2 2 261.413 3.490 20 0 CGADLP C[C@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209431373 814032335 /nfs/dbraw/zinc/03/23/35/814032335.db2.gz OKGMEAZXKLHBMW-HOCLYGCPSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209431373 814032343 /nfs/dbraw/zinc/03/23/43/814032343.db2.gz OKGMEAZXKLHBMW-HOCLYGCPSA-N 2 2 290.426 3.378 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2c1cccc2C ZINC001209492622 814059919 /nfs/dbraw/zinc/05/99/19/814059919.db2.gz GPPWOKZOUQNTTO-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2c1cccc2C ZINC001209492622 814059920 /nfs/dbraw/zinc/05/99/20/814059920.db2.gz GPPWOKZOUQNTTO-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)Cc1c[nH+]ccc1N ZINC001209737580 814123614 /nfs/dbraw/zinc/12/36/14/814123614.db2.gz PCANNZMRWUQACF-UHFFFAOYSA-N 2 2 275.783 3.170 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)Cc1c[nH+]ccc1N ZINC001209737580 814123623 /nfs/dbraw/zinc/12/36/23/814123623.db2.gz PCANNZMRWUQACF-UHFFFAOYSA-N 2 2 275.783 3.170 20 0 CGADLP c1cn2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC001242692202 823101832 /nfs/dbraw/zinc/10/18/32/823101832.db2.gz CBXMUGQRIPOTTB-MRXNPFEDSA-N 2 2 267.376 3.366 20 0 CGADLP CCCc1cc[nH+]c(Nc2ccc(C[NH2+]C)cc2)c1 ZINC001211130696 814756297 /nfs/dbraw/zinc/75/62/97/814756297.db2.gz YLCPJZNANQDDRG-UHFFFAOYSA-N 2 2 255.365 3.497 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001211138418 814837005 /nfs/dbraw/zinc/83/70/05/814837005.db2.gz QFOSKTORKQGSNL-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237522 816383638 /nfs/dbraw/zinc/38/36/38/816383638.db2.gz LRXFODRYTVUEHT-HNNXBMFYSA-N 2 2 298.352 3.423 20 0 CGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237522 816383644 /nfs/dbraw/zinc/38/36/44/816383644.db2.gz LRXFODRYTVUEHT-HNNXBMFYSA-N 2 2 298.352 3.423 20 0 CGADLP CCCCc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222340985 816413092 /nfs/dbraw/zinc/41/30/92/816413092.db2.gz YHWZIDYWTODYFL-UHFFFAOYSA-N 2 2 272.436 3.215 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222426854 816442299 /nfs/dbraw/zinc/44/22/99/816442299.db2.gz IOOISABALCXHGJ-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222426854 816442305 /nfs/dbraw/zinc/44/23/05/816442305.db2.gz IOOISABALCXHGJ-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)ccc2c1 ZINC001222427253 816442516 /nfs/dbraw/zinc/44/25/16/816442516.db2.gz PETFXIDPDLBROK-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)ccc2c1 ZINC001222427253 816442523 /nfs/dbraw/zinc/44/25/23/816442523.db2.gz PETFXIDPDLBROK-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc3[nH+]ccn3c2C)c1 ZINC001242999709 823206353 /nfs/dbraw/zinc/20/63/53/823206353.db2.gz TWXSOHNUQNHRDU-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccccc2Cn2cc[nH+]c2)c1 ZINC001242995443 823203263 /nfs/dbraw/zinc/20/32/63/823203263.db2.gz AVXLLITVYXJPBB-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP CC[N@H+](Cc1cc(F)c(C)c(F)c1)C1CC[NH+](C)CC1 ZINC001232421941 818344171 /nfs/dbraw/zinc/34/41/71/818344171.db2.gz ANBFDRPZJKILJB-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(C)c(F)c1)C1CC[NH+](C)CC1 ZINC001232421941 818344176 /nfs/dbraw/zinc/34/41/76/818344176.db2.gz ANBFDRPZJKILJB-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2NC)CC1 ZINC001232671682 818415942 /nfs/dbraw/zinc/41/59/42/818415942.db2.gz PMOAMSYBSWMZFB-UHFFFAOYSA-N 2 2 275.440 3.035 20 0 CGADLP Cc1cnsc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233322788 818579502 /nfs/dbraw/zinc/57/95/02/818579502.db2.gz UFVGHHOVOAKXKN-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnsc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001233322788 818579507 /nfs/dbraw/zinc/57/95/07/818579507.db2.gz UFVGHHOVOAKXKN-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP c1cn(C2CC[NH+](Cc3cc4cccnc4s3)CC2)c[nH+]1 ZINC001233348697 818592129 /nfs/dbraw/zinc/59/21/29/818592129.db2.gz LYUNZIYZNLCBFG-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000708 818975059 /nfs/dbraw/zinc/97/50/59/818975059.db2.gz AAPUOYOFPDWASE-ROUUACIJSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000708 818975063 /nfs/dbraw/zinc/97/50/63/818975063.db2.gz AAPUOYOFPDWASE-ROUUACIJSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001235007980 818979242 /nfs/dbraw/zinc/97/92/42/818979242.db2.gz ZVVUZFLGJHSSCP-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001235007980 818979249 /nfs/dbraw/zinc/97/92/49/818979249.db2.gz ZVVUZFLGJHSSCP-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235109160 819005043 /nfs/dbraw/zinc/00/50/43/819005043.db2.gz GFTPYVAXCIDVFI-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235109160 819005046 /nfs/dbraw/zinc/00/50/46/819005046.db2.gz GFTPYVAXCIDVFI-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111707 819006886 /nfs/dbraw/zinc/00/68/86/819006886.db2.gz SOESDBBOUOFPAI-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111707 819006891 /nfs/dbraw/zinc/00/68/91/819006891.db2.gz SOESDBBOUOFPAI-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113288 819008906 /nfs/dbraw/zinc/00/89/06/819008906.db2.gz BJQGPNNGOVRRCB-JXCVUKRWSA-N 2 2 294.483 3.358 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113288 819008910 /nfs/dbraw/zinc/00/89/10/819008910.db2.gz BJQGPNNGOVRRCB-JXCVUKRWSA-N 2 2 294.483 3.358 20 0 CGADLP Cc1cccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1C ZINC001235126034 819011343 /nfs/dbraw/zinc/01/13/43/819011343.db2.gz RBUVNWOVNCVRFL-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1C ZINC001235126034 819011348 /nfs/dbraw/zinc/01/13/48/819011348.db2.gz RBUVNWOVNCVRFL-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170318 819022616 /nfs/dbraw/zinc/02/26/16/819022616.db2.gz FFJCNQSVSDLOHO-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170318 819022619 /nfs/dbraw/zinc/02/26/19/819022619.db2.gz FFJCNQSVSDLOHO-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC001235212345 819037327 /nfs/dbraw/zinc/03/73/27/819037327.db2.gz DLGPAKWZBAIVMS-ATZDWAIDSA-N 2 2 286.463 3.282 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC001235212345 819037331 /nfs/dbraw/zinc/03/73/31/819037331.db2.gz DLGPAKWZBAIVMS-ATZDWAIDSA-N 2 2 286.463 3.282 20 0 CGADLP CCCCc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001235347691 819075013 /nfs/dbraw/zinc/07/50/13/819075013.db2.gz SITZWMSIVLMAKB-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCCc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001235347691 819075017 /nfs/dbraw/zinc/07/50/17/819075017.db2.gz SITZWMSIVLMAKB-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@H]2C1 ZINC001235541585 819118375 /nfs/dbraw/zinc/11/83/75/819118375.db2.gz VVAVFYQJZHICBH-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1nc2cc(C[N@@H+](C)C3CC[NH+](C)CC3)ccc2s1 ZINC001235851873 819186282 /nfs/dbraw/zinc/18/62/82/819186282.db2.gz HCTJPRRQXJFAFP-UHFFFAOYSA-N 2 2 289.448 3.131 20 0 CGADLP Cc1nc2cc(C[N@H+](C)C3CC[NH+](C)CC3)ccc2s1 ZINC001235851873 819186285 /nfs/dbraw/zinc/18/62/85/819186285.db2.gz HCTJPRRQXJFAFP-UHFFFAOYSA-N 2 2 289.448 3.131 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892058 819200591 /nfs/dbraw/zinc/20/05/91/819200591.db2.gz LBKTYFIHPQCYSQ-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892058 819200595 /nfs/dbraw/zinc/20/05/95/819200595.db2.gz LBKTYFIHPQCYSQ-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP Clc1cccc2c1CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235949354 819239918 /nfs/dbraw/zinc/23/99/18/819239918.db2.gz GLWCTMZBEWNQGG-AWEZNQCLSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1cccc2c1CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235949354 819239927 /nfs/dbraw/zinc/23/99/27/819239927.db2.gz GLWCTMZBEWNQGG-AWEZNQCLSA-N 2 2 278.827 3.230 20 0 CGADLP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(F)cc1Cl ZINC001235958180 819245301 /nfs/dbraw/zinc/24/53/01/819245301.db2.gz XTNQACNCGKIKFQ-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(F)cc1Cl ZINC001235958180 819245307 /nfs/dbraw/zinc/24/53/07/819245307.db2.gz XTNQACNCGKIKFQ-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)o1 ZINC001235988317 819260011 /nfs/dbraw/zinc/26/00/11/819260011.db2.gz GQQNBIYYUKGRSC-SJLPKXTDSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)o1 ZINC001235988317 819260018 /nfs/dbraw/zinc/26/00/18/819260018.db2.gz GQQNBIYYUKGRSC-SJLPKXTDSA-N 2 2 282.387 3.178 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001236047410 819285120 /nfs/dbraw/zinc/28/51/20/819285120.db2.gz HTDQCTMHVUKAGK-LLVKDONJSA-N 2 2 286.341 3.232 20 0 CGADLP Clc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001236088161 819309148 /nfs/dbraw/zinc/30/91/48/819309148.db2.gz LZHPIBNXWMAWNZ-UHFFFAOYSA-N 2 2 283.762 3.342 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)C[C@@H]1[NH3+] ZINC001236093332 819312531 /nfs/dbraw/zinc/31/25/31/819312531.db2.gz LANGSNQAAGQTKQ-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)C[C@@H]1[NH3+] ZINC001236093332 819312535 /nfs/dbraw/zinc/31/25/35/819312535.db2.gz LANGSNQAAGQTKQ-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173719 819354442 /nfs/dbraw/zinc/35/44/42/819354442.db2.gz PHZAHAWELQHROS-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173719 819354447 /nfs/dbraw/zinc/35/44/47/819354447.db2.gz PHZAHAWELQHROS-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236205331 819367850 /nfs/dbraw/zinc/36/78/50/819367850.db2.gz DLFAWWHLNSOCEF-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236205331 819367853 /nfs/dbraw/zinc/36/78/53/819367853.db2.gz DLFAWWHLNSOCEF-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236210389 819372452 /nfs/dbraw/zinc/37/24/52/819372452.db2.gz VDUMTYOCAUXGAW-SFHVURJKSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236210389 819372462 /nfs/dbraw/zinc/37/24/62/819372462.db2.gz VDUMTYOCAUXGAW-SFHVURJKSA-N 2 2 290.451 3.356 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236252385 819406635 /nfs/dbraw/zinc/40/66/35/819406635.db2.gz KODDPFDZXOPVJQ-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236252385 819406640 /nfs/dbraw/zinc/40/66/40/819406640.db2.gz KODDPFDZXOPVJQ-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CCC[N@H+](Cc1cccc(Cl)c1C)[C@H]1CC[NH2+]C1 ZINC001236324329 819425549 /nfs/dbraw/zinc/42/55/49/819425549.db2.gz PDKDFNGTGRKTFG-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@@H+](Cc1cccc(Cl)c1C)[C@H]1CC[NH2+]C1 ZINC001236324329 819425554 /nfs/dbraw/zinc/42/55/54/819425554.db2.gz PDKDFNGTGRKTFG-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)s1 ZINC001236418871 819464485 /nfs/dbraw/zinc/46/44/85/819464485.db2.gz GUUPCGLCYNOCOK-SWLSCSKDSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)s1 ZINC001236418871 819464487 /nfs/dbraw/zinc/46/44/87/819464487.db2.gz GUUPCGLCYNOCOK-SWLSCSKDSA-N 2 2 266.454 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236419256 819465905 /nfs/dbraw/zinc/46/59/05/819465905.db2.gz LDYHNAJIBZGRPY-QAPCUYQASA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236419256 819465910 /nfs/dbraw/zinc/46/59/10/819465910.db2.gz LDYHNAJIBZGRPY-QAPCUYQASA-N 2 2 290.451 3.402 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421329 819467797 /nfs/dbraw/zinc/46/77/97/819467797.db2.gz UGVCMVLGYDMUQO-WMLDXEAASA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236421329 819467799 /nfs/dbraw/zinc/46/77/99/819467799.db2.gz UGVCMVLGYDMUQO-WMLDXEAASA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC001236422476 819469395 /nfs/dbraw/zinc/46/93/95/819469395.db2.gz WTWUSVCKEKAEDH-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001236422476 819469399 /nfs/dbraw/zinc/46/93/99/819469399.db2.gz WTWUSVCKEKAEDH-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236423048 819470878 /nfs/dbraw/zinc/47/08/78/819470878.db2.gz YJCKFOLTASVZHE-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236423048 819470882 /nfs/dbraw/zinc/47/08/82/819470882.db2.gz YJCKFOLTASVZHE-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@](F)(C[NH3+])C2)cc1 ZINC001236435058 819477804 /nfs/dbraw/zinc/47/78/04/819477804.db2.gz RALQGXHYJKYSNR-KRWDZBQOSA-N 2 2 278.415 3.247 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@](F)(C[NH3+])C2)cc1 ZINC001236435058 819477808 /nfs/dbraw/zinc/47/78/08/819477808.db2.gz RALQGXHYJKYSNR-KRWDZBQOSA-N 2 2 278.415 3.247 20 0 CGADLP Cc1cc(-c2ccc(C[NH2+]CC(C)C)cc2)c[nH+]c1N ZINC001236435217 819478202 /nfs/dbraw/zinc/47/82/02/819478202.db2.gz CYZAZCDJGCXXHE-UHFFFAOYSA-N 2 2 269.392 3.385 20 0 CGADLP CCC[C@@H](C)C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646642 819559870 /nfs/dbraw/zinc/55/98/70/819559870.db2.gz HCTDZGDQTQAJFZ-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H](C)C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646642 819559876 /nfs/dbraw/zinc/55/98/76/819559876.db2.gz HCTDZGDQTQAJFZ-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4occc43)CC2)c[nH+]1 ZINC001236741684 819589353 /nfs/dbraw/zinc/58/93/53/819589353.db2.gz ZKOCJDGPXQZGDA-UHFFFAOYSA-N 2 2 281.359 3.466 20 0 CGADLP C[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236905577 819636880 /nfs/dbraw/zinc/63/68/80/819636880.db2.gz GFDCDBUEKQIBBF-LLVKDONJSA-N 2 2 261.756 3.120 20 0 CGADLP C[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236905577 819636882 /nfs/dbraw/zinc/63/68/82/819636882.db2.gz GFDCDBUEKQIBBF-LLVKDONJSA-N 2 2 261.756 3.120 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083133 819663892 /nfs/dbraw/zinc/66/38/92/819663892.db2.gz WBGVUQZRZHBTGE-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237083133 819663896 /nfs/dbraw/zinc/66/38/96/819663896.db2.gz WBGVUQZRZHBTGE-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP CCc1cccc(C)c1C[N@H+](CC)CCn1cc[nH+]c1 ZINC001237331165 819728778 /nfs/dbraw/zinc/72/87/78/819728778.db2.gz WOWJUKFUPAPKRS-UHFFFAOYSA-N 2 2 271.408 3.276 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001237331165 819728784 /nfs/dbraw/zinc/72/87/84/819728784.db2.gz WOWJUKFUPAPKRS-UHFFFAOYSA-N 2 2 271.408 3.276 20 0 CGADLP CC/C=C\CC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359312 819734938 /nfs/dbraw/zinc/73/49/38/819734938.db2.gz NMCIZBXIYIAZRA-ARJAWSKDSA-N 2 2 270.420 3.437 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237416402 819749323 /nfs/dbraw/zinc/74/93/23/819749323.db2.gz PVXMNLVWGVSVJU-ZFWWWQNUSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237416402 819749328 /nfs/dbraw/zinc/74/93/28/819749328.db2.gz PVXMNLVWGVSVJU-ZFWWWQNUSA-N 2 2 278.827 3.222 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238111990 819936407 /nfs/dbraw/zinc/93/64/07/819936407.db2.gz AIAREGYBLVXDMZ-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238111990 819936411 /nfs/dbraw/zinc/93/64/11/819936411.db2.gz AIAREGYBLVXDMZ-NSHDSACASA-N 2 2 283.297 3.109 20 0 CGADLP CC(C)Oc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC001238461231 820008596 /nfs/dbraw/zinc/00/85/96/820008596.db2.gz CGDZBDLPPZZTKY-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)Oc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC001238461231 820008611 /nfs/dbraw/zinc/00/86/11/820008611.db2.gz CGDZBDLPPZZTKY-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(C)cc2OC)CC1 ZINC001238762005 820111634 /nfs/dbraw/zinc/11/16/34/820111634.db2.gz DSSVWZLCSAJQKZ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C)cc2OC)CC1 ZINC001238762005 820111636 /nfs/dbraw/zinc/11/16/36/820111636.db2.gz DSSVWZLCSAJQKZ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP c1cc2c(cc[nH+]c2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC001243657720 823476377 /nfs/dbraw/zinc/47/63/77/823476377.db2.gz UJBGBPCFQQWFIB-UHFFFAOYSA-N 2 2 274.327 3.475 20 0 CGADLP CCOc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239561349 820413220 /nfs/dbraw/zinc/41/32/20/820413220.db2.gz YYACWVHHONDFQT-MRXNPFEDSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239561349 820413228 /nfs/dbraw/zinc/41/32/28/820413228.db2.gz YYACWVHHONDFQT-MRXNPFEDSA-N 2 2 296.414 3.285 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001239680937 820516791 /nfs/dbraw/zinc/51/67/91/820516791.db2.gz PFAVZTNYKOKVML-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP Cc1ccc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001239964923 820744326 /nfs/dbraw/zinc/74/43/26/820744326.db2.gz UYGXMEOYOJHTDZ-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP COc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C ZINC001241036627 821512589 /nfs/dbraw/zinc/51/25/89/821512589.db2.gz CWINCFFGECBINZ-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C ZINC001241036627 821512594 /nfs/dbraw/zinc/51/25/94/821512594.db2.gz CWINCFFGECBINZ-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP Nc1cc(-c2ccc(F)c(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001241176064 821618345 /nfs/dbraw/zinc/61/83/45/821618345.db2.gz SVCDIPYXEJBHLQ-UHFFFAOYSA-N 2 2 271.339 3.066 20 0 CGADLP Cc1cscc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241731806 822109511 /nfs/dbraw/zinc/10/95/11/822109511.db2.gz CYHVXRWAIUPUCS-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cscc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001241731806 822109517 /nfs/dbraw/zinc/10/95/17/822109517.db2.gz CYHVXRWAIUPUCS-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(C[NH3+])cc1 ZINC001241918137 822217435 /nfs/dbraw/zinc/21/74/35/822217435.db2.gz VLVUDLXBMNNFHF-UHFFFAOYSA-N 2 2 279.343 3.007 20 0 CGADLP Cc1cc(-c2ccc(OCC[NH+](C)C)cc2)c2[nH+]ccn2c1 ZINC001242150710 822895195 /nfs/dbraw/zinc/89/51/95/822895195.db2.gz WFDFXHGYCWBYBT-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC001348515087 936924384 /nfs/dbraw/zinc/92/43/84/936924384.db2.gz JQZUIRIKDLYNHN-ZDUSSCGKSA-N 2 2 295.858 3.028 20 0 CGADLP CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC001355263612 937133058 /nfs/dbraw/zinc/13/30/58/937133058.db2.gz CTWJUOKNAYALBB-UHFFFAOYSA-N 2 2 292.423 3.175 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001356049864 937151741 /nfs/dbraw/zinc/15/17/41/937151741.db2.gz OSEOLYVXYGVKNC-HGGPSHQYSA-N 2 2 276.811 3.200 20 0 CGADLP CCC(O)(CC)C(C)(C)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC001473737258 937201053 /nfs/dbraw/zinc/20/10/53/937201053.db2.gz XWDUEKJSWWYMHV-OAHLLOKOSA-N 2 2 284.488 3.169 20 0 CGADLP CCC(O)(CC)C(C)(C)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC001473737258 937201057 /nfs/dbraw/zinc/20/10/57/937201057.db2.gz XWDUEKJSWWYMHV-OAHLLOKOSA-N 2 2 284.488 3.169 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC001307702899 927955236 /nfs/dbraw/zinc/95/52/36/927955236.db2.gz MDOUPTUJTLRACG-ZHCJQAHYSA-N 2 2 266.473 3.379 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC001307702899 927955241 /nfs/dbraw/zinc/95/52/41/927955241.db2.gz MDOUPTUJTLRACG-ZHCJQAHYSA-N 2 2 266.473 3.379 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC001460144536 937517955 /nfs/dbraw/zinc/51/79/55/937517955.db2.gz NBALWUBYIQYLRP-RRLIJXGGSA-N 2 2 264.457 3.133 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC001460144536 937517956 /nfs/dbraw/zinc/51/79/56/937517956.db2.gz NBALWUBYIQYLRP-RRLIJXGGSA-N 2 2 264.457 3.133 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001460967692 937556189 /nfs/dbraw/zinc/55/61/89/937556189.db2.gz ZIMBTIUCYZFAML-UHFFFAOYSA-N 2 2 263.429 3.426 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC001461037989 937560701 /nfs/dbraw/zinc/56/07/01/937560701.db2.gz DNPKLMSADDFYMM-HZPDHXFCSA-N 2 2 271.408 3.130 20 0 CGADLP CCCCOc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001474223604 937844960 /nfs/dbraw/zinc/84/49/60/937844960.db2.gz OLJQNOATTTZPLG-OAHLLOKOSA-N 2 2 278.440 3.295 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389322880 932740784 /nfs/dbraw/zinc/74/07/84/932740784.db2.gz GPYNMEJFGBRMRW-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389322880 932740788 /nfs/dbraw/zinc/74/07/88/932740788.db2.gz GPYNMEJFGBRMRW-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001307191345 932927195 /nfs/dbraw/zinc/92/71/95/932927195.db2.gz PMCSYZSUQLOWDZ-INIZCTEOSA-N 2 2 288.439 3.302 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001307191345 932927199 /nfs/dbraw/zinc/92/71/99/932927199.db2.gz PMCSYZSUQLOWDZ-INIZCTEOSA-N 2 2 288.439 3.302 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001462487883 937644959 /nfs/dbraw/zinc/64/49/59/937644959.db2.gz WAOYXZIXHJIBAR-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001462487883 937644962 /nfs/dbraw/zinc/64/49/62/937644962.db2.gz WAOYXZIXHJIBAR-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001308264647 933084585 /nfs/dbraw/zinc/08/45/85/933084585.db2.gz QEOOMNLVNLCMAG-IIAWOOMASA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001308264647 933084589 /nfs/dbraw/zinc/08/45/89/933084589.db2.gz QEOOMNLVNLCMAG-IIAWOOMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321729 933094679 /nfs/dbraw/zinc/09/46/79/933094679.db2.gz FYECQRPLDRVDDF-IFXJQAMLSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321729 933094686 /nfs/dbraw/zinc/09/46/86/933094686.db2.gz FYECQRPLDRVDDF-IFXJQAMLSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001308339169 933097274 /nfs/dbraw/zinc/09/72/74/933097274.db2.gz XCWXBFZCOMGDGZ-RKVPGOIHSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001324158422 934467845 /nfs/dbraw/zinc/46/78/45/934467845.db2.gz LWVHTRMYKMUVBX-AAEUAGOBSA-N 2 2 289.810 3.141 20 0 CGADLP Cc1cc([NH2+][C@@H]2CCCC23CC3)ccc1N1CC[NH+](C)CC1 ZINC001327790967 935085236 /nfs/dbraw/zinc/08/52/36/935085236.db2.gz FWDAWDUNJPVDSL-GOSISDBHSA-N 2 2 299.462 3.491 20 0 CGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001329734758 935242488 /nfs/dbraw/zinc/24/24/88/935242488.db2.gz HPRHWMKYTPIZAY-KRWDZBQOSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001329734758 935242492 /nfs/dbraw/zinc/24/24/92/935242492.db2.gz HPRHWMKYTPIZAY-KRWDZBQOSA-N 2 2 298.434 3.060 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001329747707 935243376 /nfs/dbraw/zinc/24/33/76/935243376.db2.gz AXTQTAYHAJSSFJ-PBHICJAKSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329747707 935243380 /nfs/dbraw/zinc/24/33/80/935243380.db2.gz AXTQTAYHAJSSFJ-PBHICJAKSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1ccc(CC2CC[NH+](C[C@H]([NH3+])CC(F)F)CC2)cc1 ZINC001333176812 935516153 /nfs/dbraw/zinc/51/61/53/935516153.db2.gz UOLVGIQEGQAUEM-MRXNPFEDSA-N 2 2 296.405 3.232 20 0 CGADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC001333825027 936069479 /nfs/dbraw/zinc/06/94/79/936069479.db2.gz DEPZKJGNBROPNC-GVDBMIGSSA-N 2 2 295.430 3.401 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001336735745 936212218 /nfs/dbraw/zinc/21/22/18/936212218.db2.gz OJACTQRYEUNINR-SWLSCSKDSA-N 2 2 278.440 3.458 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001336735745 936212221 /nfs/dbraw/zinc/21/22/21/936212221.db2.gz OJACTQRYEUNINR-SWLSCSKDSA-N 2 2 278.440 3.458 20 0 CGADLP COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1C(C)(C)C ZINC001473915413 937830187 /nfs/dbraw/zinc/83/01/87/937830187.db2.gz WTFCONKQAIOQPE-UHFFFAOYSA-N 2 2 290.451 3.178 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+](C)C ZINC001473924874 937830580 /nfs/dbraw/zinc/83/05/80/937830580.db2.gz OHBRWJUTMKZFKL-OALUTQOASA-N 2 2 288.479 3.500 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC001474479036 937862590 /nfs/dbraw/zinc/86/25/90/937862590.db2.gz LZPCGGBSOZPUKB-SFHVURJKSA-N 2 2 286.463 3.256 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC001474479036 937862591 /nfs/dbraw/zinc/86/25/91/937862591.db2.gz LZPCGGBSOZPUKB-SFHVURJKSA-N 2 2 286.463 3.256 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC001550531581 938166891 /nfs/dbraw/zinc/16/68/91/938166891.db2.gz XDJFQWQVBHGRQQ-MRXNPFEDSA-N 2 2 287.382 3.269 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC001550531581 938166892 /nfs/dbraw/zinc/16/68/92/938166892.db2.gz XDJFQWQVBHGRQQ-MRXNPFEDSA-N 2 2 287.382 3.269 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccs1 ZINC001551378366 938180742 /nfs/dbraw/zinc/18/07/42/938180742.db2.gz OZLHHGZKQCBNEY-LZWOXQAQSA-N 2 2 272.417 3.414 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001551401730 938181878 /nfs/dbraw/zinc/18/18/78/938181878.db2.gz JSGCJDXBPSARNY-JKSUJKDBSA-N 2 2 272.779 3.054 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC001560262247 938249744 /nfs/dbraw/zinc/24/97/44/938249744.db2.gz VFQUGWUPOIXEHB-ULQDDVLXSA-N 2 2 264.457 3.443 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001560807985 938277192 /nfs/dbraw/zinc/27/71/92/938277192.db2.gz QRKPLDOFIGPYDP-INMHGKMJSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001560807985 938277194 /nfs/dbraw/zinc/27/71/94/938277194.db2.gz QRKPLDOFIGPYDP-INMHGKMJSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CC2(C1)CCCCC2 ZINC001575130115 962358490 /nfs/dbraw/zinc/35/84/90/962358490.db2.gz FPJZKSXWJHPHED-AWEZNQCLSA-N 2 2 252.446 3.406 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576301674 962446871 /nfs/dbraw/zinc/44/68/71/962446871.db2.gz QHTXHRHYECWEIQ-TUAOUCFPSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001576301674 962446883 /nfs/dbraw/zinc/44/68/83/962446883.db2.gz QHTXHRHYECWEIQ-TUAOUCFPSA-N 2 2 282.790 3.081 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)o1 ZINC001579612703 962649594 /nfs/dbraw/zinc/64/95/94/962649594.db2.gz RNSPXWBMQUXNHX-MRXNPFEDSA-N 2 2 288.366 3.221 20 0 CGADLP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])c(OCCC(C)C)c1 ZINC001579696820 962657514 /nfs/dbraw/zinc/65/75/14/962657514.db2.gz GYELBSVDKICWGM-UHFFFAOYSA-N 2 2 278.440 3.247 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCCCC[NH2+]2)c(F)c1 ZINC001580030735 962692004 /nfs/dbraw/zinc/69/20/04/962692004.db2.gz PEAOHFGSQKFRDJ-XVWMLYKFSA-N 2 2 280.362 3.100 20 0 CGADLP [NH3+]C[C@@H]1CCCC12CC[NH+](Cc1ncc(Cl)s1)CC2 ZINC001580261008 962705521 /nfs/dbraw/zinc/70/55/21/962705521.db2.gz VTZBZFZLXPDKDI-NSHDSACASA-N 2 2 299.871 3.138 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337400472 214055304 /nfs/dbraw/zinc/05/53/04/214055304.db2.gz PPODPMJFHRSFEP-AWEZNQCLSA-N 2 2 290.455 3.133 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)oc1C ZINC000337414149 214065388 /nfs/dbraw/zinc/06/53/88/214065388.db2.gz OQEMCWNCMVSATE-SGMGOOAPSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)oc1C ZINC000337414149 214065390 /nfs/dbraw/zinc/06/53/90/214065390.db2.gz OQEMCWNCMVSATE-SGMGOOAPSA-N 2 2 250.386 3.030 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335488130 212164602 /nfs/dbraw/zinc/16/46/02/212164602.db2.gz MXBFQHRNMRLCCS-AWEZNQCLSA-N 2 2 297.402 3.231 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337673982 214210413 /nfs/dbraw/zinc/21/04/13/214210413.db2.gz WPAFGSIFVAMLDR-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337673982 214210415 /nfs/dbraw/zinc/21/04/15/214210415.db2.gz WPAFGSIFVAMLDR-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP CCCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000621727522 349567570 /nfs/dbraw/zinc/56/75/70/349567570.db2.gz GWNXNVGHSFGVMU-UHFFFAOYSA-N 2 2 277.437 3.419 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651676218 398267419 /nfs/dbraw/zinc/26/74/19/398267419.db2.gz SONGDGIZPFLXAO-NVXWUHKLSA-N 2 2 275.440 3.320 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651715834 398273999 /nfs/dbraw/zinc/27/39/99/398273999.db2.gz AHSBRHSXFFZKLB-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP COc1ccc(NCc2[nH+]c(C(C)C)n3ccccc23)[nH+]c1 ZINC000651735843 398278984 /nfs/dbraw/zinc/27/89/84/398278984.db2.gz DWIJTYSMBYTOCQ-UHFFFAOYSA-N 2 2 296.374 3.473 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358136716 529393515 /nfs/dbraw/zinc/39/35/15/529393515.db2.gz AGGIEGNORLZPGJ-HUUCEWRRSA-N 2 2 275.440 3.070 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000651786560 398288107 /nfs/dbraw/zinc/28/81/07/398288107.db2.gz AIXSEBRWOYEEEU-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000651786560 398288108 /nfs/dbraw/zinc/28/81/08/398288108.db2.gz AIXSEBRWOYEEEU-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000651866433 398299171 /nfs/dbraw/zinc/29/91/71/398299171.db2.gz DWSJOHAPHCXOKU-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000651866433 398299172 /nfs/dbraw/zinc/29/91/72/398299172.db2.gz DWSJOHAPHCXOKU-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423303445 282954427 /nfs/dbraw/zinc/95/44/27/282954427.db2.gz XCNMTLGVGNWYTM-UKRRQHHQSA-N 2 2 267.392 3.025 20 0 CGADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000651911694 398306277 /nfs/dbraw/zinc/30/62/77/398306277.db2.gz SEMHEKCBDDBNQE-GOEBONIOSA-N 2 2 287.451 3.465 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423313692 529501409 /nfs/dbraw/zinc/50/14/09/529501409.db2.gz GBCDXLPFINTENH-NHYWBVRUSA-N 2 2 272.392 3.383 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423463978 529569090 /nfs/dbraw/zinc/56/90/90/529569090.db2.gz LQDFCBJJIMPUAZ-BXKDBHETSA-N 2 2 266.772 3.474 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC1(F)F ZINC000623015269 349751928 /nfs/dbraw/zinc/75/19/28/349751928.db2.gz TWCUEVGBXLPLCG-AYRXBEOTSA-N 2 2 282.378 3.311 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337592 349781783 /nfs/dbraw/zinc/78/17/83/349781783.db2.gz PYBDXQAOWJRMCG-AAEUAGOBSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337592 349781784 /nfs/dbraw/zinc/78/17/84/349781784.db2.gz PYBDXQAOWJRMCG-AAEUAGOBSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000339639221 282207588 /nfs/dbraw/zinc/20/75/88/282207588.db2.gz SHKBGKAMLYNYMV-UHFFFAOYSA-N 2 2 283.419 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000339639221 282207589 /nfs/dbraw/zinc/20/75/89/282207589.db2.gz SHKBGKAMLYNYMV-UHFFFAOYSA-N 2 2 283.419 3.337 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccc1OC(F)F ZINC000423448872 529665768 /nfs/dbraw/zinc/66/57/68/529665768.db2.gz QQFYPYNXBTVMTD-FOGDFJRCSA-N 2 2 272.339 3.064 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000364453401 529722015 /nfs/dbraw/zinc/72/20/15/529722015.db2.gz ZYZDMKARVSWDFM-MJBXVCDLSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000364453401 529722017 /nfs/dbraw/zinc/72/20/17/529722017.db2.gz ZYZDMKARVSWDFM-MJBXVCDLSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000423381132 529729902 /nfs/dbraw/zinc/72/99/02/529729902.db2.gz HSODDQIWXPQCFS-AAEUAGOBSA-N 2 2 295.496 3.443 20 0 CGADLP CCc1ncc(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359457910 529752796 /nfs/dbraw/zinc/75/27/96/529752796.db2.gz JDPWHRXLSSJLOC-UHFFFAOYSA-N 2 2 289.448 3.057 20 0 CGADLP CCc1ncc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359457910 529752797 /nfs/dbraw/zinc/75/27/97/529752797.db2.gz JDPWHRXLSSJLOC-UHFFFAOYSA-N 2 2 289.448 3.057 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1(C)C ZINC000623554538 349832471 /nfs/dbraw/zinc/83/24/71/349832471.db2.gz CVYLBTRUQJGMCP-ZMSDIMECSA-N 2 2 276.399 3.086 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1(C)C ZINC000623554538 349832476 /nfs/dbraw/zinc/83/24/76/349832476.db2.gz CVYLBTRUQJGMCP-ZMSDIMECSA-N 2 2 276.399 3.086 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561729 349835313 /nfs/dbraw/zinc/83/53/13/349835313.db2.gz XIWVWYBILZQOIT-DWBZUHSKSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561729 349835314 /nfs/dbraw/zinc/83/53/14/349835314.db2.gz XIWVWYBILZQOIT-DWBZUHSKSA-N 2 2 262.441 3.028 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536505 529811241 /nfs/dbraw/zinc/81/12/41/529811241.db2.gz RSQFAVXZJWETKF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536505 529811242 /nfs/dbraw/zinc/81/12/42/529811242.db2.gz RSQFAVXZJWETKF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536505 529811243 /nfs/dbraw/zinc/81/12/43/529811243.db2.gz RSQFAVXZJWETKF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000366536505 529811244 /nfs/dbraw/zinc/81/12/44/529811244.db2.gz RSQFAVXZJWETKF-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623878302 349903531 /nfs/dbraw/zinc/90/35/31/349903531.db2.gz DVBHROSEDPGLHT-CYBMUJFWSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000623895514 349907774 /nfs/dbraw/zinc/90/77/74/349907774.db2.gz SQOMXLHWSGNCBE-OLZOCXBDSA-N 2 2 283.485 3.469 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000423224621 529978505 /nfs/dbraw/zinc/97/85/05/529978505.db2.gz JOWYKVFTNBOXTD-LBPRGKRZSA-N 2 2 260.406 3.285 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423284978 529999785 /nfs/dbraw/zinc/99/97/85/529999785.db2.gz ZCKKHPWTIRQCEB-QWHCGFSZSA-N 2 2 289.448 3.316 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2scnc21 ZINC000623924741 349917295 /nfs/dbraw/zinc/91/72/95/349917295.db2.gz LLFABYQZTLOVKK-ZDUSSCGKSA-N 2 2 273.405 3.056 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672836 344965023 /nfs/dbraw/zinc/96/50/23/344965023.db2.gz KPVUHOQDSJSIAR-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672836 344965024 /nfs/dbraw/zinc/96/50/24/344965024.db2.gz KPVUHOQDSJSIAR-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP Cc1cc2[nH+]cn(CCC3CC[NH2+]CC3)c2cc1C ZINC000041671347 344972775 /nfs/dbraw/zinc/97/27/75/344972775.db2.gz SQFCAURJIGFXAV-UHFFFAOYSA-N 2 2 257.381 3.043 20 0 CGADLP CC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000295098246 199344104 /nfs/dbraw/zinc/34/41/04/199344104.db2.gz SYUJTGQFNYOYBP-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000295098246 199344105 /nfs/dbraw/zinc/34/41/05/199344105.db2.gz SYUJTGQFNYOYBP-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000295098246 199344106 /nfs/dbraw/zinc/34/41/06/199344106.db2.gz SYUJTGQFNYOYBP-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000295098246 199344107 /nfs/dbraw/zinc/34/41/07/199344107.db2.gz SYUJTGQFNYOYBP-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188577 345243957 /nfs/dbraw/zinc/24/39/57/345243957.db2.gz SBIQQDSRAKTQHQ-JKSUJKDBSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188577 345243958 /nfs/dbraw/zinc/24/39/58/345243958.db2.gz SBIQQDSRAKTQHQ-JKSUJKDBSA-N 2 2 278.465 3.417 20 0 CGADLP c1ccc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]c1 ZINC000080247893 345669909 /nfs/dbraw/zinc/66/99/09/345669909.db2.gz KPXGQWDPQYITLB-UHFFFAOYSA-N 2 2 259.397 3.291 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091336673 345810499 /nfs/dbraw/zinc/81/04/99/345810499.db2.gz ZTDYRWILYULSCX-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091336673 345810500 /nfs/dbraw/zinc/81/05/00/345810500.db2.gz ZTDYRWILYULSCX-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000090092122 345782134 /nfs/dbraw/zinc/78/21/34/345782134.db2.gz AOTJILKKYZWJKB-AWEZNQCLSA-N 2 2 290.455 3.477 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000090092122 345782136 /nfs/dbraw/zinc/78/21/36/345782136.db2.gz AOTJILKKYZWJKB-AWEZNQCLSA-N 2 2 290.455 3.477 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000090846685 345795195 /nfs/dbraw/zinc/79/51/95/345795195.db2.gz QTKTYQXEOASULF-ACJLOTCBSA-N 2 2 266.388 3.456 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847439 345796115 /nfs/dbraw/zinc/79/61/15/345796115.db2.gz SLMJYOZIWQPICB-AWEZNQCLSA-N 2 2 270.376 3.292 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090847107 345796160 /nfs/dbraw/zinc/79/61/60/345796160.db2.gz RWHJTHAVMWNBGU-AWEZNQCLSA-N 2 2 298.386 3.055 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c[nH+]1 ZINC000092648662 345849105 /nfs/dbraw/zinc/84/91/05/345849105.db2.gz ZUTJNETXWPDUFY-FUHWJXTLSA-N 2 2 281.403 3.324 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865926 345890938 /nfs/dbraw/zinc/89/09/38/345890938.db2.gz AQRLPHOJGADEJZ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865926 345890939 /nfs/dbraw/zinc/89/09/39/345890939.db2.gz AQRLPHOJGADEJZ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCCCCC3)C2)C1 ZINC000106473270 345930788 /nfs/dbraw/zinc/93/07/88/345930788.db2.gz WUUBIALUQMCZCL-OAHLLOKOSA-N 2 2 250.430 3.316 20 0 CGADLP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCCCCC3)C2)C1 ZINC000106473270 345930789 /nfs/dbraw/zinc/93/07/89/345930789.db2.gz WUUBIALUQMCZCL-OAHLLOKOSA-N 2 2 250.430 3.316 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000103342080 345921200 /nfs/dbraw/zinc/92/12/00/345921200.db2.gz IIQGCIRCWAIMLA-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000103342080 345921202 /nfs/dbraw/zinc/92/12/02/345921202.db2.gz IIQGCIRCWAIMLA-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000128869705 346044792 /nfs/dbraw/zinc/04/47/92/346044792.db2.gz IRLILEOEVFOYOW-UZGDPCLZSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000128869705 346044794 /nfs/dbraw/zinc/04/47/94/346044794.db2.gz IRLILEOEVFOYOW-UZGDPCLZSA-N 2 2 290.373 3.322 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130775411 346060989 /nfs/dbraw/zinc/06/09/89/346060989.db2.gz VFDSDPKNKCGXDQ-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130775411 346060994 /nfs/dbraw/zinc/06/09/94/346060994.db2.gz VFDSDPKNKCGXDQ-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000144763043 346119054 /nfs/dbraw/zinc/11/90/54/346119054.db2.gz VYNTVAQLWGYNNT-LBPRGKRZSA-N 2 2 293.798 3.286 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC000295140263 199368803 /nfs/dbraw/zinc/36/88/03/199368803.db2.gz ZJEROXFOWAJJBV-HOCLYGCPSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@H+]1C ZINC000295140263 199368805 /nfs/dbraw/zinc/36/88/05/199368805.db2.gz ZJEROXFOWAJJBV-HOCLYGCPSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140263 199368807 /nfs/dbraw/zinc/36/88/07/199368807.db2.gz ZJEROXFOWAJJBV-HOCLYGCPSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140263 199368809 /nfs/dbraw/zinc/36/88/09/199368809.db2.gz ZJEROXFOWAJJBV-HOCLYGCPSA-N 2 2 288.435 3.142 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000235498243 346336117 /nfs/dbraw/zinc/33/61/17/346336117.db2.gz IIHOLEVYEHOOQC-GFCCVEGCSA-N 2 2 263.772 3.023 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2sccc21 ZINC000624101474 349970756 /nfs/dbraw/zinc/97/07/56/349970756.db2.gz IEQQAVIJVSHYDX-OUCADQQQSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2sccc21 ZINC000624101474 349970758 /nfs/dbraw/zinc/97/07/58/349970758.db2.gz IEQQAVIJVSHYDX-OUCADQQQSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000351752204 219195880 /nfs/dbraw/zinc/19/58/80/219195880.db2.gz OHFPXPZNWDRAGM-QWHCGFSZSA-N 2 2 261.344 3.271 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594748498 347216672 /nfs/dbraw/zinc/21/66/72/347216672.db2.gz UAICZXQIBJDJEN-KRWDZBQOSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594748498 347216676 /nfs/dbraw/zinc/21/66/76/347216676.db2.gz UAICZXQIBJDJEN-KRWDZBQOSA-N 2 2 290.451 3.145 20 0 CGADLP CCOCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000339374868 215132616 /nfs/dbraw/zinc/13/26/16/215132616.db2.gz LOZXVRRRLZCRCY-UHFFFAOYSA-N 2 2 287.407 3.085 20 0 CGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cn[nH]c2)CCCC1)c1ccccc1 ZINC000606912612 348207558 /nfs/dbraw/zinc/20/75/58/348207558.db2.gz CRKIEUGYFVLUOC-HNNXBMFYSA-N 2 2 298.434 3.163 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(F)c1F)CCC2 ZINC000607956946 348276039 /nfs/dbraw/zinc/27/60/39/348276039.db2.gz WBXDJSWCYYCUPD-CYBMUJFWSA-N 2 2 291.345 3.137 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358067591 233050994 /nfs/dbraw/zinc/05/09/94/233050994.db2.gz XNAAZICCQVBSAZ-ABAIWWIYSA-N 2 2 290.382 3.310 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358067591 233050997 /nfs/dbraw/zinc/05/09/97/233050997.db2.gz XNAAZICCQVBSAZ-ABAIWWIYSA-N 2 2 290.382 3.310 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000619770956 349284350 /nfs/dbraw/zinc/28/43/50/349284350.db2.gz CRWCKVQNXYKCLJ-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000619770956 349284355 /nfs/dbraw/zinc/28/43/55/349284355.db2.gz CRWCKVQNXYKCLJ-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+](CC[NH+]1CC[C@H]2CC[C@@H](C1)S2)Cc1ccccc1 ZINC000625777169 350212120 /nfs/dbraw/zinc/21/21/20/350212120.db2.gz BCLYUYPEYCRYLE-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[N@@H+](CC[NH+]1CC[C@H]2CC[C@@H](C1)S2)Cc1ccccc1 ZINC000625777169 350212122 /nfs/dbraw/zinc/21/21/22/350212122.db2.gz BCLYUYPEYCRYLE-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+](CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Cc1ccccc1 ZINC000625777169 350212123 /nfs/dbraw/zinc/21/21/23/350212123.db2.gz BCLYUYPEYCRYLE-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+](CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Cc1ccccc1 ZINC000625777169 350212124 /nfs/dbraw/zinc/21/21/24/350212124.db2.gz BCLYUYPEYCRYLE-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@]1(C)CCCS1)Cc1ccccc1 ZINC000628199827 350437648 /nfs/dbraw/zinc/43/76/48/350437648.db2.gz KCDWHVMLEYEJJH-IRXDYDNUSA-N 2 2 292.492 3.035 20 0 CGADLP c1cn(-c2csc(Cn3c[nH+]c4c3CCCC4)c2)c[nH+]1 ZINC000628371640 350517825 /nfs/dbraw/zinc/51/78/25/350517825.db2.gz UCRVGZZXGOIDOD-UHFFFAOYSA-N 2 2 284.388 3.057 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000629527569 350703363 /nfs/dbraw/zinc/70/33/63/350703363.db2.gz ZARJJIQDULEELL-GVDBMIGSSA-N 2 2 276.399 3.315 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C[NH2+]1 ZINC000629535664 350704587 /nfs/dbraw/zinc/70/45/87/350704587.db2.gz DNZKAEQSMBDGHW-JRPNMDOOSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CCCO2 ZINC000629535811 350705195 /nfs/dbraw/zinc/70/51/95/350705195.db2.gz DQTZDANWLVXFOS-HLLBOEOZSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C[NH2+]1 ZINC000629536634 350705756 /nfs/dbraw/zinc/70/57/56/350705756.db2.gz IDTQYNPGXOAESH-YVLXSGLVSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C2CCC2)o1 ZINC000629543129 350708369 /nfs/dbraw/zinc/70/83/69/350708369.db2.gz UHBJEBVNDZRYPA-DJSGYFEHSA-N 2 2 262.397 3.159 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629546706 350710516 /nfs/dbraw/zinc/71/05/16/350710516.db2.gz XDQIJZPTLQPFTH-COLVAYQJSA-N 2 2 298.352 3.497 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629397297 350688109 /nfs/dbraw/zinc/68/81/09/350688109.db2.gz ZARPLLBAEAYHQD-DZGCQCFKSA-N 2 2 284.403 3.079 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2c1 ZINC000629509871 350699280 /nfs/dbraw/zinc/69/92/80/350699280.db2.gz PSRJUBJPBRVDQW-KDOFPFPSSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2c1 ZINC000629509871 350699282 /nfs/dbraw/zinc/69/92/82/350699282.db2.gz PSRJUBJPBRVDQW-KDOFPFPSSA-N 2 2 283.419 3.245 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000629525233 350701483 /nfs/dbraw/zinc/70/14/83/350701483.db2.gz YXCLELRYIOVBJY-LEWSCRJBSA-N 2 2 252.789 3.131 20 0 CGADLP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629651853 350730662 /nfs/dbraw/zinc/73/06/62/350730662.db2.gz LZCKROYGHDSSIX-MSOLQXFVSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629651853 350730664 /nfs/dbraw/zinc/73/06/64/350730664.db2.gz LZCKROYGHDSSIX-MSOLQXFVSA-N 2 2 298.430 3.069 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000629674164 350734725 /nfs/dbraw/zinc/73/47/25/350734725.db2.gz XJKOZFQAVDTSCE-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1[nH]cc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)[nH+]1 ZINC000629702543 350744783 /nfs/dbraw/zinc/74/47/83/350744783.db2.gz PFLRARFLBPRZBR-LBPRGKRZSA-N 2 2 255.365 3.369 20 0 CGADLP Cc1[nH]cc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)[nH+]1 ZINC000629702543 350744786 /nfs/dbraw/zinc/74/47/86/350744786.db2.gz PFLRARFLBPRZBR-LBPRGKRZSA-N 2 2 255.365 3.369 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000631140135 350966330 /nfs/dbraw/zinc/96/63/30/350966330.db2.gz LNJKSYBUAQWKER-CYBMUJFWSA-N 2 2 295.361 3.349 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc12 ZINC000631140135 350966332 /nfs/dbraw/zinc/96/63/32/350966332.db2.gz LNJKSYBUAQWKER-CYBMUJFWSA-N 2 2 295.361 3.349 20 0 CGADLP Cc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(F)c1 ZINC000631103747 350954484 /nfs/dbraw/zinc/95/44/84/350954484.db2.gz APTROIMZXILMPU-UHFFFAOYSA-N 2 2 258.340 3.170 20 0 CGADLP CCC1([NH+]2CCCC2)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000631448567 351043270 /nfs/dbraw/zinc/04/32/70/351043270.db2.gz MSGVQIXUGKCGIZ-UHFFFAOYSA-N 2 2 298.434 3.408 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000631827841 351148997 /nfs/dbraw/zinc/14/89/97/351148997.db2.gz XUSYHEWRBXZXKD-ROUUACIJSA-N 2 2 287.451 3.113 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000631827841 351148998 /nfs/dbraw/zinc/14/89/98/351148998.db2.gz XUSYHEWRBXZXKD-ROUUACIJSA-N 2 2 287.451 3.113 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000631832242 351149817 /nfs/dbraw/zinc/14/98/17/351149817.db2.gz BYIQXZJIZMMDGJ-OAHLLOKOSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000631832242 351149822 /nfs/dbraw/zinc/14/98/22/351149822.db2.gz BYIQXZJIZMMDGJ-OAHLLOKOSA-N 2 2 285.391 3.045 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890699 351153015 /nfs/dbraw/zinc/15/30/15/351153015.db2.gz SICYKZVUGVNMGO-CRAIPNDOSA-N 2 2 287.451 3.087 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890699 351153019 /nfs/dbraw/zinc/15/30/19/351153019.db2.gz SICYKZVUGVNMGO-CRAIPNDOSA-N 2 2 287.451 3.087 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840335 215358113 /nfs/dbraw/zinc/35/81/13/215358113.db2.gz JKJHMDQYFSGCSI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840335 215358117 /nfs/dbraw/zinc/35/81/17/215358117.db2.gz JKJHMDQYFSGCSI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840335 215358120 /nfs/dbraw/zinc/35/81/20/215358120.db2.gz JKJHMDQYFSGCSI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840335 215358122 /nfs/dbraw/zinc/35/81/22/215358122.db2.gz JKJHMDQYFSGCSI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000291679092 198060665 /nfs/dbraw/zinc/06/06/65/198060665.db2.gz XBZRLXCKZIRJFU-GFCCVEGCSA-N 2 2 275.783 3.156 20 0 CGADLP C[C@H](C[N@H+]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000291679092 198060666 /nfs/dbraw/zinc/06/06/66/198060666.db2.gz XBZRLXCKZIRJFU-GFCCVEGCSA-N 2 2 275.783 3.156 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292159365 198186101 /nfs/dbraw/zinc/18/61/01/198186101.db2.gz OIZRMNAFQRHZHJ-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292159365 198186102 /nfs/dbraw/zinc/18/61/02/198186102.db2.gz OIZRMNAFQRHZHJ-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292159365 198186104 /nfs/dbraw/zinc/18/61/04/198186104.db2.gz OIZRMNAFQRHZHJ-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292159365 198186105 /nfs/dbraw/zinc/18/61/05/198186105.db2.gz OIZRMNAFQRHZHJ-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701107 234243460 /nfs/dbraw/zinc/24/34/60/234243460.db2.gz KNLXROZCXBHGCB-OAHLLOKOSA-N 2 2 283.419 3.187 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701107 234243464 /nfs/dbraw/zinc/24/34/64/234243464.db2.gz KNLXROZCXBHGCB-OAHLLOKOSA-N 2 2 283.419 3.187 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100269 234281966 /nfs/dbraw/zinc/28/19/66/234281966.db2.gz HDJZWDWFBHSQER-TZMCWYRMSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100269 234281968 /nfs/dbraw/zinc/28/19/68/234281968.db2.gz HDJZWDWFBHSQER-TZMCWYRMSA-N 2 2 287.382 3.017 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000368450093 234309120 /nfs/dbraw/zinc/30/91/20/234309120.db2.gz FZSNCQRDESTDKY-WMZOPIPTSA-N 2 2 281.403 3.321 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000368450093 234309123 /nfs/dbraw/zinc/30/91/23/234309123.db2.gz FZSNCQRDESTDKY-WMZOPIPTSA-N 2 2 281.403 3.321 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563751 188151026 /nfs/dbraw/zinc/15/10/26/188151026.db2.gz LAVJFCVDOGYWDK-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563751 188151028 /nfs/dbraw/zinc/15/10/28/188151028.db2.gz LAVJFCVDOGYWDK-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000155648017 188219109 /nfs/dbraw/zinc/21/91/09/188219109.db2.gz PSSGNZRPTBDLTA-INIZCTEOSA-N 2 2 273.380 3.023 20 0 CGADLP c1cc(NCCCCC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000292737306 198393859 /nfs/dbraw/zinc/39/38/59/198393859.db2.gz IPJAIGWOJACRIR-UHFFFAOYSA-N 2 2 274.412 3.032 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000353622175 283007586 /nfs/dbraw/zinc/00/75/86/283007586.db2.gz LYNDYPJRENTDGV-DZGCQCFKSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000353622175 283007589 /nfs/dbraw/zinc/00/75/89/283007589.db2.gz LYNDYPJRENTDGV-DZGCQCFKSA-N 2 2 285.366 3.073 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCSC1 ZINC000271777927 191321349 /nfs/dbraw/zinc/32/13/49/191321349.db2.gz VINSTJIIZVZWTK-DLBZAZTESA-N 2 2 290.476 3.165 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c2ccccc12 ZINC000414215018 235365903 /nfs/dbraw/zinc/36/59/03/235365903.db2.gz WSAJGQJIMCHYTO-RDTXWAMCSA-N 2 2 268.404 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c2ccccc12 ZINC000414215018 235365906 /nfs/dbraw/zinc/36/59/06/235365906.db2.gz WSAJGQJIMCHYTO-RDTXWAMCSA-N 2 2 268.404 3.188 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC000123591961 138368414 /nfs/dbraw/zinc/36/84/14/138368414.db2.gz QAYLVMRCAGIWRJ-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC000123591961 138368415 /nfs/dbraw/zinc/36/84/15/138368415.db2.gz QAYLVMRCAGIWRJ-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000123734318 138370146 /nfs/dbraw/zinc/37/01/46/138370146.db2.gz FOGAGSAPDNTSGR-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000123734318 138370147 /nfs/dbraw/zinc/37/01/47/138370147.db2.gz FOGAGSAPDNTSGR-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000125158555 138380329 /nfs/dbraw/zinc/38/03/29/138380329.db2.gz SMURKIGDSIGPGG-PWSUYJOCSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000125158555 138380330 /nfs/dbraw/zinc/38/03/30/138380330.db2.gz SMURKIGDSIGPGG-PWSUYJOCSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2cccs2)cc1 ZINC000423202102 235994729 /nfs/dbraw/zinc/99/47/29/235994729.db2.gz JZQBAPJLBVIAEK-SWLSCSKDSA-N 2 2 272.417 3.428 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000423237720 236005273 /nfs/dbraw/zinc/00/52/73/236005273.db2.gz IMAYAIAXSMVQEF-SJLPKXTDSA-N 2 2 281.403 3.223 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1 ZINC000423237029 236005528 /nfs/dbraw/zinc/00/55/28/236005528.db2.gz HWAUCBOYSUEYAB-IAGOWNOFSA-N 2 2 282.387 3.190 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423241204 236006601 /nfs/dbraw/zinc/00/66/01/236006601.db2.gz LDBQBQNTYLDIPC-CLCXKQKWSA-N 2 2 298.430 3.477 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CCC2)o1 ZINC000423277061 236020023 /nfs/dbraw/zinc/02/00/23/236020023.db2.gz PAMUGYLAJDHCIH-ZFWWWQNUSA-N 2 2 250.386 3.002 20 0 CGADLP [NH3+][C@H](C[NH2+]C(c1ccccc1)c1ccccc1)C1CC1 ZINC000423314092 236034706 /nfs/dbraw/zinc/03/47/06/236034706.db2.gz GMOWXDSYKKLAGI-QGZVFWFLSA-N 2 2 266.388 3.103 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423318157 236036922 /nfs/dbraw/zinc/03/69/22/236036922.db2.gz CRGJAAGSMGKQCM-VXGBXAGGSA-N 2 2 289.448 3.425 20 0 CGADLP Cc1cccc([C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(F)c2)c1 ZINC000423325062 236039404 /nfs/dbraw/zinc/03/94/04/236039404.db2.gz PXWSWFCJCUMOJW-GOSISDBHSA-N 2 2 284.378 3.033 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423357120 236048975 /nfs/dbraw/zinc/04/89/75/236048975.db2.gz HUDFKSCHWBYYNJ-SJLPKXTDSA-N 2 2 299.393 3.042 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423419125 236068386 /nfs/dbraw/zinc/06/83/86/236068386.db2.gz ALXCVFAGALVKIV-XWTMOSNGSA-N 2 2 298.817 3.237 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCCC12CCC2 ZINC000423429062 236069396 /nfs/dbraw/zinc/06/93/96/236069396.db2.gz OSIREQRDEIFNCJ-SJORKVTESA-N 2 2 270.420 3.186 20 0 CGADLP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423477878 236082110 /nfs/dbraw/zinc/08/21/10/236082110.db2.gz KQKBEWANNHJGPW-RDJZCZTQSA-N 3 2 298.434 3.055 20 0 CGADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427851010 236348933 /nfs/dbraw/zinc/34/89/33/236348933.db2.gz JMVMGXWBQXCVPN-IKGGRYGDSA-N 2 2 299.393 3.263 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)(C)C ZINC000483735282 299281644 /nfs/dbraw/zinc/28/16/44/299281644.db2.gz QHKMSWZTXHTPBF-AWEZNQCLSA-N 2 2 274.452 3.110 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000359709796 291163452 /nfs/dbraw/zinc/16/34/52/291163452.db2.gz BIIXVWXXRZECAZ-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970376 200310638 /nfs/dbraw/zinc/31/06/38/200310638.db2.gz XENYZEYEQVUWEY-CZUORRHYSA-N 2 2 287.407 3.337 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970376 200310640 /nfs/dbraw/zinc/31/06/40/200310640.db2.gz XENYZEYEQVUWEY-CZUORRHYSA-N 2 2 287.407 3.337 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177122811 189030625 /nfs/dbraw/zinc/03/06/25/189030625.db2.gz GTEVTGLACPABLX-OAHLLOKOSA-N 2 2 273.380 3.439 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177122811 189030626 /nfs/dbraw/zinc/03/06/26/189030626.db2.gz GTEVTGLACPABLX-OAHLLOKOSA-N 2 2 273.380 3.439 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000177179597 189034343 /nfs/dbraw/zinc/03/43/43/189034343.db2.gz AICDTWDLDNJRRJ-JSGCOSHPSA-N 2 2 264.438 3.273 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]Cc2cccc3[nH+]ccn32)s1 ZINC000179429104 189193895 /nfs/dbraw/zinc/19/38/95/189193895.db2.gz NLILABCSOZKCQL-UHFFFAOYSA-N 2 2 286.404 3.124 20 0 CGADLP FC(F)(F)CC[N@@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000180703274 189270518 /nfs/dbraw/zinc/27/05/18/189270518.db2.gz XJQJAIAJGHBONT-UHFFFAOYSA-N 2 2 297.324 3.499 20 0 CGADLP FC(F)(F)CC[N@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000180703274 189270519 /nfs/dbraw/zinc/27/05/19/189270519.db2.gz XJQJAIAJGHBONT-UHFFFAOYSA-N 2 2 297.324 3.499 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1F ZINC000182002760 189312048 /nfs/dbraw/zinc/31/20/48/189312048.db2.gz ZTBLQNOKDBVVAP-NWDGAFQWSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(F)c1F ZINC000182002760 189312049 /nfs/dbraw/zinc/31/20/49/189312049.db2.gz ZTBLQNOKDBVVAP-NWDGAFQWSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000119648941 370694205 /nfs/dbraw/zinc/69/42/05/370694205.db2.gz JGWTXUWCFZQDNQ-GOSISDBHSA-N 2 2 287.451 3.385 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301596762 201087385 /nfs/dbraw/zinc/08/73/85/201087385.db2.gz ZNUMFJNZMNEERC-NWDGAFQWSA-N 2 2 287.329 3.385 20 0 CGADLP CC(C)c1[nH+]ccn1CCOCCn1cc[nH+]c1C(C)C ZINC000182832769 189336906 /nfs/dbraw/zinc/33/69/06/189336906.db2.gz UAKJONXJGSIGLJ-UHFFFAOYSA-N 2 2 290.411 3.043 20 0 CGADLP Cc1cc(N[C@@H](C)CC[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301651085 201115895 /nfs/dbraw/zinc/11/58/95/201115895.db2.gz GGJAMMCKWADMQZ-NSHDSACASA-N 2 2 275.371 3.434 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccncc1 ZINC000184535646 189388947 /nfs/dbraw/zinc/38/89/47/189388947.db2.gz XHQQLCLYQIFZNF-IBGZPJMESA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccncc1 ZINC000184535646 189388948 /nfs/dbraw/zinc/38/89/48/189388948.db2.gz XHQQLCLYQIFZNF-IBGZPJMESA-N 2 2 297.446 3.328 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301900023 201253452 /nfs/dbraw/zinc/25/34/52/201253452.db2.gz YRGHXOIUDOSAPV-CHWSQXEVSA-N 2 2 272.396 3.095 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000301900023 201253456 /nfs/dbraw/zinc/25/34/56/201253456.db2.gz YRGHXOIUDOSAPV-CHWSQXEVSA-N 2 2 272.396 3.095 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000342547114 216393285 /nfs/dbraw/zinc/39/32/85/216393285.db2.gz NWWNPOHFEYQVQC-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000342547114 216393289 /nfs/dbraw/zinc/39/32/89/216393289.db2.gz NWWNPOHFEYQVQC-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)[N@H+](C)C1CC1 ZINC000449135078 239199243 /nfs/dbraw/zinc/19/92/43/239199243.db2.gz NFTXYJWRWSLEHH-UONOGXRCSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)[N@@H+](C)C1CC1 ZINC000449135078 239199246 /nfs/dbraw/zinc/19/92/46/239199246.db2.gz NFTXYJWRWSLEHH-UONOGXRCSA-N 2 2 286.419 3.436 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449272363 239282868 /nfs/dbraw/zinc/28/28/68/239282868.db2.gz VVTXJHFEGSZZAR-ZFWWWQNUSA-N 2 2 266.816 3.127 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC1CCOCC1 ZINC000449354861 239342740 /nfs/dbraw/zinc/34/27/40/239342740.db2.gz SEAGDZSLWXKYBK-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000449391506 239378007 /nfs/dbraw/zinc/37/80/07/239378007.db2.gz FHXQTKYITSTCNE-LJQANCHMSA-N 2 2 298.430 3.170 20 0 CGADLP C[N@@H+](CC/C=C\c1ccccc1)CCCn1cc[nH+]c1 ZINC000450637926 240012986 /nfs/dbraw/zinc/01/29/86/240012986.db2.gz RGZQHRCKUFFKFU-YHYXMXQVSA-N 2 2 269.392 3.309 20 0 CGADLP C[N@H+](CC/C=C\c1ccccc1)CCCn1cc[nH+]c1 ZINC000450637926 240012990 /nfs/dbraw/zinc/01/29/90/240012990.db2.gz RGZQHRCKUFFKFU-YHYXMXQVSA-N 2 2 269.392 3.309 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1Cn1c[nH+]c2c1CCCC2 ZINC000451193953 240244601 /nfs/dbraw/zinc/24/46/01/240244601.db2.gz YNEIGAGYZXHJIZ-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP CC(C)CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000275832108 193140878 /nfs/dbraw/zinc/14/08/78/193140878.db2.gz SSIYBMKOFNUSRB-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP c1ccc(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121345411 370853595 /nfs/dbraw/zinc/85/35/95/370853595.db2.gz MMKINKGYKJBRGU-UHFFFAOYSA-N 2 2 295.430 3.273 20 0 CGADLP C[C@H]1CC[N@H+](CCc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121431669 370861428 /nfs/dbraw/zinc/86/14/28/370861428.db2.gz NQKMEDSCPYOEDA-YOEHRIQHSA-N 2 2 287.382 3.148 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000121431669 370861430 /nfs/dbraw/zinc/86/14/30/370861430.db2.gz NQKMEDSCPYOEDA-YOEHRIQHSA-N 2 2 287.382 3.148 20 0 CGADLP Cc1cccn2c(C[NH2+][C@]3(C)CC=CCC3)c[nH+]c12 ZINC000459742210 242204695 /nfs/dbraw/zinc/20/46/95/242204695.db2.gz BNSKTNLMFCWMCF-MRXNPFEDSA-N 2 2 255.365 3.231 20 0 CGADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000537656115 376192256 /nfs/dbraw/zinc/19/22/56/376192256.db2.gz CRACDMIDFYTZKO-ARFHVFGLSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)(C)C ZINC000483735285 296118266 /nfs/dbraw/zinc/11/82/66/296118266.db2.gz QHKMSWZTXHTPBF-CQSZACIVSA-N 2 2 274.452 3.110 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](COC)C(C)C)[NH+](C)C)cc1 ZINC000479850638 243126561 /nfs/dbraw/zinc/12/65/61/243126561.db2.gz INNOJKWECDSJDH-ROUUACIJSA-N 2 2 292.467 3.112 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000486932163 243379796 /nfs/dbraw/zinc/37/97/96/243379796.db2.gz GFFSNPZHTHHYBL-HIFRSBDPSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000486968380 243387579 /nfs/dbraw/zinc/38/75/79/243387579.db2.gz OBRHIRMHAHUECN-UAGQMJEPSA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125028407 370928725 /nfs/dbraw/zinc/92/87/25/370928725.db2.gz DKGYXCSPQBZXIC-ROUUACIJSA-N 2 2 290.451 3.147 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000035009523 368988373 /nfs/dbraw/zinc/98/83/73/368988373.db2.gz VBGZPOZSATUDMU-WMZOPIPTSA-N 2 2 270.420 3.207 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000035009523 368988375 /nfs/dbraw/zinc/98/83/75/368988375.db2.gz VBGZPOZSATUDMU-WMZOPIPTSA-N 2 2 270.420 3.207 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649231 369097161 /nfs/dbraw/zinc/09/71/61/369097161.db2.gz XPTMQAQEACZGNA-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649231 369097166 /nfs/dbraw/zinc/09/71/66/369097166.db2.gz XPTMQAQEACZGNA-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000040500450 369156846 /nfs/dbraw/zinc/15/68/46/369156846.db2.gz XYZOLSSMHAKTRI-MRXNPFEDSA-N 2 2 262.441 3.248 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000041064049 369170288 /nfs/dbraw/zinc/17/02/88/369170288.db2.gz YQFYJMPQDWAMIX-NSHDSACASA-N 2 2 283.297 3.253 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000041119657 369174743 /nfs/dbraw/zinc/17/47/43/369174743.db2.gz XDMCVWOWTWUSGN-SJORKVTESA-N 2 2 269.392 3.199 20 0 CGADLP CC[NH+]1CCC([N@H+](C)CCCC(=O)c2ccccc2)CC1 ZINC000042680918 369229040 /nfs/dbraw/zinc/22/90/40/369229040.db2.gz QYMRJFPGACETJY-UHFFFAOYSA-N 2 2 288.435 3.066 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)CCCC(=O)c2ccccc2)CC1 ZINC000042680918 369229043 /nfs/dbraw/zinc/22/90/43/369229043.db2.gz QYMRJFPGACETJY-UHFFFAOYSA-N 2 2 288.435 3.066 20 0 CGADLP COC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000493917169 244253849 /nfs/dbraw/zinc/25/38/49/244253849.db2.gz PLEZNDOTHVPGLC-MRXNPFEDSA-N 2 2 298.858 3.347 20 0 CGADLP COC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000493917169 244253854 /nfs/dbraw/zinc/25/38/54/244253854.db2.gz PLEZNDOTHVPGLC-MRXNPFEDSA-N 2 2 298.858 3.347 20 0 CGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044687916 369267982 /nfs/dbraw/zinc/26/79/82/369267982.db2.gz AICQSDKFRFNBKV-GOEBONIOSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044687916 369267990 /nfs/dbraw/zinc/26/79/90/369267990.db2.gz AICQSDKFRFNBKV-GOEBONIOSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646816 244308059 /nfs/dbraw/zinc/30/80/59/244308059.db2.gz HJQREJFBGZBOMR-VDINOMKWSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646816 244308061 /nfs/dbraw/zinc/30/80/61/244308061.db2.gz HJQREJFBGZBOMR-VDINOMKWSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000494697911 244311569 /nfs/dbraw/zinc/31/15/69/244311569.db2.gz SEDRQIRTJCVLJU-TXPKVOOTSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000494697911 244311572 /nfs/dbraw/zinc/31/15/72/244311572.db2.gz SEDRQIRTJCVLJU-TXPKVOOTSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1C ZINC000494876692 244326919 /nfs/dbraw/zinc/32/69/19/244326919.db2.gz FHMNSPZZPQDZTC-XYVMCAHJSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000494923948 244330737 /nfs/dbraw/zinc/33/07/37/244330737.db2.gz RPOXGGDPOXOGAX-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]1C ZINC000494920507 244331083 /nfs/dbraw/zinc/33/10/83/244331083.db2.gz DRUGRIWDUQYLPH-INMHGKMJSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000494926178 244331506 /nfs/dbraw/zinc/33/15/06/244331506.db2.gz ZSXWRYQTLDTIBO-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494946419 244335797 /nfs/dbraw/zinc/33/57/97/244335797.db2.gz HVINACGSESURJD-IVZVJUQRSA-N 2 2 296.418 3.191 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494946419 244335801 /nfs/dbraw/zinc/33/58/01/244335801.db2.gz HVINACGSESURJD-IVZVJUQRSA-N 2 2 296.418 3.191 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000495059209 244351925 /nfs/dbraw/zinc/35/19/25/244351925.db2.gz LXXLPVQWDZENEO-WWGRRREGSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CC[NH3+] ZINC000054416713 369503053 /nfs/dbraw/zinc/50/30/53/369503053.db2.gz UGMJJKBIIDGXIF-CQSZACIVSA-N 2 2 254.377 3.305 20 0 CGADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC[NH3+] ZINC000054416713 369503056 /nfs/dbraw/zinc/50/30/56/369503056.db2.gz UGMJJKBIIDGXIF-CQSZACIVSA-N 2 2 254.377 3.305 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccc2n1 ZINC000276248547 193256072 /nfs/dbraw/zinc/25/60/72/193256072.db2.gz OTUOJYGQGPRQCG-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)ccc2n1 ZINC000276248547 193256074 /nfs/dbraw/zinc/25/60/74/193256074.db2.gz OTUOJYGQGPRQCG-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)ccc2n1 ZINC000276248547 193256076 /nfs/dbraw/zinc/25/60/76/193256076.db2.gz OTUOJYGQGPRQCG-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)ccc2n1 ZINC000276248547 193256077 /nfs/dbraw/zinc/25/60/77/193256077.db2.gz OTUOJYGQGPRQCG-VQIMIIECSA-N 2 2 295.430 3.069 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000063191478 369642480 /nfs/dbraw/zinc/64/24/80/369642480.db2.gz HQBZFJDMRXHAIG-FZMZJTMJSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000063191478 369642486 /nfs/dbraw/zinc/64/24/86/369642486.db2.gz HQBZFJDMRXHAIG-FZMZJTMJSA-N 2 2 252.789 3.042 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000276475719 193346474 /nfs/dbraw/zinc/34/64/74/193346474.db2.gz RCSWKALRSWDCRW-IBGZPJMESA-N 2 2 298.430 3.378 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000276475719 193346476 /nfs/dbraw/zinc/34/64/76/193346476.db2.gz RCSWKALRSWDCRW-IBGZPJMESA-N 2 2 298.430 3.378 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074713 369779528 /nfs/dbraw/zinc/77/95/28/369779528.db2.gz ADQKLSVADHUSFK-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074713 369779533 /nfs/dbraw/zinc/77/95/33/369779533.db2.gz ADQKLSVADHUSFK-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH2+]Cc1cscn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000070166680 369784712 /nfs/dbraw/zinc/78/47/12/369784712.db2.gz GJYNYIVEDOHWMK-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000089108692 370038337 /nfs/dbraw/zinc/03/83/37/370038337.db2.gz OVRYQXAMCHJZLZ-ZFWWWQNUSA-N 2 2 255.365 3.164 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000090667892 370063335 /nfs/dbraw/zinc/06/33/35/370063335.db2.gz PPTFGZMERHJBQY-CABCVRRESA-N 2 2 287.451 3.385 20 0 CGADLP CC[C@@H]1CCC[C@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000513067559 245061393 /nfs/dbraw/zinc/06/13/93/245061393.db2.gz FQFMNJUJCMCIBF-CVEARBPZSA-N 2 2 298.434 3.377 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423285210 296159259 /nfs/dbraw/zinc/15/92/59/296159259.db2.gz YAPANCYZUNXUME-AMIZOPFISA-N 2 2 273.207 3.381 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000131855335 371134873 /nfs/dbraw/zinc/13/48/73/371134873.db2.gz FFIMUCMYPGDQDM-UHFFFAOYSA-N 2 2 263.772 3.061 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522494 371257518 /nfs/dbraw/zinc/25/75/18/371257518.db2.gz ILXXGQMBALJVMA-UPJWGTAASA-N 2 2 295.496 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522494 371257521 /nfs/dbraw/zinc/25/75/21/371257521.db2.gz ILXXGQMBALJVMA-UPJWGTAASA-N 2 2 295.496 3.259 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133622453 371266636 /nfs/dbraw/zinc/26/66/36/371266636.db2.gz RQCZBBOJFOBQNX-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000421830905 371656304 /nfs/dbraw/zinc/65/63/04/371656304.db2.gz KQKOFVBPVFNMDW-LSDHHAIUSA-N 2 2 291.439 3.088 20 0 CGADLP c1coc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000152646278 371711495 /nfs/dbraw/zinc/71/14/95/371711495.db2.gz ZISLDQJSBSTIBK-UHFFFAOYSA-N 2 2 281.359 3.179 20 0 CGADLP c1coc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000152646278 371711500 /nfs/dbraw/zinc/71/15/00/371711500.db2.gz ZISLDQJSBSTIBK-UHFFFAOYSA-N 2 2 281.359 3.179 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422748591 371781798 /nfs/dbraw/zinc/78/17/98/371781798.db2.gz VFINKHYJHXSLPX-INMHGKMJSA-N 2 2 282.472 3.092 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])on1 ZINC000422794316 371812948 /nfs/dbraw/zinc/81/29/48/371812948.db2.gz YPPCOANGYYOVOX-CABCVRRESA-N 2 2 279.428 3.328 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814816 371827652 /nfs/dbraw/zinc/82/76/52/371827652.db2.gz AGNLVZQJGMQULQ-LZWOXQAQSA-N 2 2 294.414 3.103 20 0 CGADLP CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422859409 371843227 /nfs/dbraw/zinc/84/32/27/371843227.db2.gz KBKUXDNDTGGFFY-HOCLYGCPSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)c1nnc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422866780 371844623 /nfs/dbraw/zinc/84/46/23/371844623.db2.gz RCCZGUFWPAKDST-OLZOCXBDSA-N 2 2 296.484 3.062 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(F)cc1CSC)[C@@H]1CCC[NH2+]1 ZINC000422871520 371846639 /nfs/dbraw/zinc/84/66/39/371846639.db2.gz ZBDKNKJHMHBQIH-CVEARBPZSA-N 2 2 296.455 3.309 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422872698 371848280 /nfs/dbraw/zinc/84/82/80/371848280.db2.gz IIVRKQUYCLGZQU-GOEBONIOSA-N 2 2 276.424 3.012 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422875801 371849944 /nfs/dbraw/zinc/84/99/44/371849944.db2.gz PIZPTBZUFOXPQV-HOCLYGCPSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)no1 ZINC000289922893 371853278 /nfs/dbraw/zinc/85/32/78/371853278.db2.gz VGXYGUPDDGPGLW-CYBMUJFWSA-N 2 2 298.390 3.382 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000154585740 371858981 /nfs/dbraw/zinc/85/89/81/371858981.db2.gz DWMCQHYFFBKLEA-SWLSCSKDSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000154585740 371858986 /nfs/dbraw/zinc/85/89/86/371858986.db2.gz DWMCQHYFFBKLEA-SWLSCSKDSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919626 371869406 /nfs/dbraw/zinc/86/94/06/371869406.db2.gz KMQNLWOJKICTBR-UMVBOHGHSA-N 2 2 296.842 3.228 20 0 CGADLP C[C@H]([NH2+]C1(c2c(Cl)cccc2Cl)CC1)C1C[NH2+]C1 ZINC000422952164 371888432 /nfs/dbraw/zinc/88/84/32/371888432.db2.gz AEANREKWBFRDPI-VIFPVBQESA-N 2 2 285.218 3.180 20 0 CGADLP COc1cccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422960583 371892356 /nfs/dbraw/zinc/89/23/56/371892356.db2.gz WWZNDJZDYIZSBJ-QZTJIDSGSA-N 2 2 294.398 3.419 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422977659 371900035 /nfs/dbraw/zinc/90/00/35/371900035.db2.gz XDQGAPPNNIJWRK-AEGPPILISA-N 2 2 276.424 3.332 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]1 ZINC000422977501 371900044 /nfs/dbraw/zinc/90/00/44/371900044.db2.gz WYFWCELXQYVHGR-BBRMVZONSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@@H](CC[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000290328813 371963338 /nfs/dbraw/zinc/96/33/38/371963338.db2.gz DOIXRDVRRDLXCF-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP C[C@@H](CC[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000290328813 371963349 /nfs/dbraw/zinc/96/33/49/371963349.db2.gz DOIXRDVRRDLXCF-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000290363173 371972060 /nfs/dbraw/zinc/97/20/60/371972060.db2.gz MYQBLCGFISZUPT-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000423127300 371980275 /nfs/dbraw/zinc/98/02/75/371980275.db2.gz BULCVVWZPUOYFL-BXUZGUMPSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)C1C[NH2+]C1 ZINC000423135821 371984107 /nfs/dbraw/zinc/98/41/07/371984107.db2.gz UMOUSCDZHBZZFF-ZDUSSCGKSA-N 2 2 284.378 3.190 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423134460 371984574 /nfs/dbraw/zinc/98/45/74/371984574.db2.gz RYGXCABFPUNLKR-MGPQQGTHSA-N 2 2 296.361 3.038 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290487593 372000458 /nfs/dbraw/zinc/00/04/58/372000458.db2.gz VQYKSYLXBAYBCL-QGZVFWFLSA-N 3 2 291.483 3.423 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423076022 371949536 /nfs/dbraw/zinc/94/95/36/371949536.db2.gz YFGOABWAFJUURW-HOCLYGCPSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344147416 217074056 /nfs/dbraw/zinc/07/40/56/217074056.db2.gz WXSXFFGCCGVQMK-WBMJQRKESA-N 2 2 273.355 3.078 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423083412 371952723 /nfs/dbraw/zinc/95/27/23/371952723.db2.gz FZKARONXNMCIDY-GJZGRUSLSA-N 2 2 274.339 3.055 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423400244 372059894 /nfs/dbraw/zinc/05/98/94/372059894.db2.gz WXQBHQDBPZRJIE-NQBHXWOUSA-N 2 2 252.427 3.274 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423196465 372020739 /nfs/dbraw/zinc/02/07/39/372020739.db2.gz VKLKXEQDXFJCTF-UWVGGRQHSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423209617 372032609 /nfs/dbraw/zinc/03/26/09/372032609.db2.gz VHOOYUXVTZFGAN-SJLPKXTDSA-N 2 2 284.403 3.251 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cccc2F)c1ccccc1 ZINC000423244772 372041727 /nfs/dbraw/zinc/04/17/27/372041727.db2.gz NYZZARFRJUANKS-IAGOWNOFSA-N 2 2 270.351 3.103 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423383920 372057568 /nfs/dbraw/zinc/05/75/68/372057568.db2.gz PKZXHHKMWQQBNI-XHBSWPGZSA-N 2 2 264.388 3.037 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423389413 372058561 /nfs/dbraw/zinc/05/85/61/372058561.db2.gz NKIIMYDDGQNUQA-PVAVHDDUSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)c(F)c(F)c1 ZINC000423179946 372008524 /nfs/dbraw/zinc/00/85/24/372008524.db2.gz NAIRDHHSZHTYJR-SNVBAGLBSA-N 2 2 286.341 3.416 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423394006 372059392 /nfs/dbraw/zinc/05/93/92/372059392.db2.gz ZERALAUCLNPZJJ-RISCZKNCSA-N 2 2 282.815 3.141 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423182464 372010727 /nfs/dbraw/zinc/01/07/27/372010727.db2.gz KLDWBYPVCIPRQK-CQSZACIVSA-N 2 2 297.402 3.277 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423548114 372072636 /nfs/dbraw/zinc/07/26/36/372072636.db2.gz GQTSRFBVNUXYKE-FMKPAKJESA-N 2 2 258.409 3.275 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425365928 372124198 /nfs/dbraw/zinc/12/41/98/372124198.db2.gz ZAEFBYZJLWFYBD-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425365928 372124204 /nfs/dbraw/zinc/12/42/04/372124204.db2.gz ZAEFBYZJLWFYBD-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccccn1)C(C)C ZINC000159280783 372127019 /nfs/dbraw/zinc/12/70/19/372127019.db2.gz XMIALTXKFCYFQB-OAHLLOKOSA-N 2 2 263.429 3.241 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)[C@H](C)[C@@H]1OC ZINC000344302003 217140740 /nfs/dbraw/zinc/14/07/40/217140740.db2.gz VKHBEPXNTALOTR-UAGQMJEPSA-N 2 2 290.451 3.362 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000344318799 217148151 /nfs/dbraw/zinc/14/81/51/217148151.db2.gz BDGMHTAFKBFFDH-SMDDNHRTSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CCC[N@H+]1C ZINC000344318799 217148153 /nfs/dbraw/zinc/14/81/53/217148153.db2.gz BDGMHTAFKBFFDH-SMDDNHRTSA-N 2 2 297.240 3.021 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344323609 217149765 /nfs/dbraw/zinc/14/97/65/217149765.db2.gz IRXNUPQDDOQOEE-WMLDXEAASA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344323609 217149767 /nfs/dbraw/zinc/14/97/67/217149767.db2.gz IRXNUPQDDOQOEE-WMLDXEAASA-N 2 2 276.424 3.048 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc2cccnc12 ZINC000344330068 217153024 /nfs/dbraw/zinc/15/30/24/217153024.db2.gz USEHCQKLEQXIMM-RHSMWYFYSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc2cccnc12 ZINC000344330068 217153025 /nfs/dbraw/zinc/15/30/25/217153025.db2.gz USEHCQKLEQXIMM-RHSMWYFYSA-N 2 2 283.419 3.116 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939888 372408436 /nfs/dbraw/zinc/40/84/36/372408436.db2.gz MSYYDLSEEYMWFQ-UMVBOHGHSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939888 372408442 /nfs/dbraw/zinc/40/84/42/372408442.db2.gz MSYYDLSEEYMWFQ-UMVBOHGHSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227829 372456176 /nfs/dbraw/zinc/45/61/76/372456176.db2.gz ZAXCOIIRYOESKS-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227829 372456182 /nfs/dbraw/zinc/45/61/82/372456182.db2.gz ZAXCOIIRYOESKS-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+](C)Cc1ccccc1 ZINC000344374118 217173532 /nfs/dbraw/zinc/17/35/32/217173532.db2.gz UKOLSZSKNMTEOI-IRXDYDNUSA-N 2 2 272.436 3.453 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+](C)Cc1ccccc1 ZINC000344374118 217173536 /nfs/dbraw/zinc/17/35/36/217173536.db2.gz UKOLSZSKNMTEOI-IRXDYDNUSA-N 2 2 272.436 3.453 20 0 CGADLP c1cn(CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000165950600 372559859 /nfs/dbraw/zinc/55/98/59/372559859.db2.gz IWTIHHRLOMZRAF-WMZOPIPTSA-N 2 2 299.418 3.031 20 0 CGADLP CCOCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165131884 372544255 /nfs/dbraw/zinc/54/42/55/372544255.db2.gz HKFRVOBSTGBDLZ-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP C[C@@H](CNc1[nH+]ccc2ccccc21)C[NH+]1CCCC1 ZINC000168683232 372617886 /nfs/dbraw/zinc/61/78/86/372617886.db2.gz KQTHWKDDZMJVII-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434746186 372706294 /nfs/dbraw/zinc/70/62/94/372706294.db2.gz IOQJHLCBLIOBAC-SFHVURJKSA-N 2 2 283.419 3.164 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434746186 372706301 /nfs/dbraw/zinc/70/63/01/372706301.db2.gz IOQJHLCBLIOBAC-SFHVURJKSA-N 2 2 283.419 3.164 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)o2)cc1 ZINC000435624310 372787407 /nfs/dbraw/zinc/78/74/07/372787407.db2.gz IXJWBGRTPVRIRY-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)o2)cc1 ZINC000435624310 372787420 /nfs/dbraw/zinc/78/74/20/372787420.db2.gz IXJWBGRTPVRIRY-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000438089717 372874404 /nfs/dbraw/zinc/87/44/04/372874404.db2.gz RSKXCHDHZRYRKB-QGZVFWFLSA-N 2 2 290.451 3.167 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000438089717 372874407 /nfs/dbraw/zinc/87/44/07/372874407.db2.gz RSKXCHDHZRYRKB-QGZVFWFLSA-N 2 2 290.451 3.167 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000353522898 220134178 /nfs/dbraw/zinc/13/41/78/220134178.db2.gz SOMRDIGKHGFJRI-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000440693930 372990623 /nfs/dbraw/zinc/99/06/23/372990623.db2.gz NQAXXEHPMQEKJT-JYJNAYRXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000440693930 372990631 /nfs/dbraw/zinc/99/06/31/372990631.db2.gz NQAXXEHPMQEKJT-JYJNAYRXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000440693930 372990646 /nfs/dbraw/zinc/99/06/46/372990646.db2.gz NQAXXEHPMQEKJT-JYJNAYRXSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000440693930 372990651 /nfs/dbraw/zinc/99/06/51/372990651.db2.gz NQAXXEHPMQEKJT-JYJNAYRXSA-N 2 2 270.436 3.321 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000296081063 373017286 /nfs/dbraw/zinc/01/72/86/373017286.db2.gz SOSBLSLJYOIISH-OAHLLOKOSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000296189330 373049573 /nfs/dbraw/zinc/04/95/73/373049573.db2.gz YLMVHMCITJMHMR-VNHYZAJKSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000296189330 373049585 /nfs/dbraw/zinc/04/95/85/373049585.db2.gz YLMVHMCITJMHMR-VNHYZAJKSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000442966709 373136419 /nfs/dbraw/zinc/13/64/19/373136419.db2.gz MZOFVFMKEWVGLF-IAGOWNOFSA-N 2 2 288.435 3.355 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000442966709 373136428 /nfs/dbraw/zinc/13/64/28/373136428.db2.gz MZOFVFMKEWVGLF-IAGOWNOFSA-N 2 2 288.435 3.355 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446743656 373358149 /nfs/dbraw/zinc/35/81/49/373358149.db2.gz GGKZXJFCHUGVRZ-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446743656 373358158 /nfs/dbraw/zinc/35/81/58/373358158.db2.gz GGKZXJFCHUGVRZ-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000447574243 373454861 /nfs/dbraw/zinc/45/48/61/373454861.db2.gz UZFWLVWDJFSQJG-WDMOLILDSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000447574243 373454868 /nfs/dbraw/zinc/45/48/68/373454868.db2.gz UZFWLVWDJFSQJG-WDMOLILDSA-N 2 2 297.240 3.050 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447590484 373458728 /nfs/dbraw/zinc/45/87/28/373458728.db2.gz CVDBKFNVNWCJFB-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447590484 373458739 /nfs/dbraw/zinc/45/87/39/373458739.db2.gz CVDBKFNVNWCJFB-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP Cc1ccc2c(C)cc(N(C)Cc3[nH+]ccn3C)[nH+]c2c1 ZINC000299418256 373535890 /nfs/dbraw/zinc/53/58/90/373535890.db2.gz JELULWGXEKHHAA-UHFFFAOYSA-N 2 2 280.375 3.222 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000447902489 373522566 /nfs/dbraw/zinc/52/25/66/373522566.db2.gz JZPAMLHBNXXSAR-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000447902489 373522570 /nfs/dbraw/zinc/52/25/70/373522570.db2.gz JZPAMLHBNXXSAR-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000300402483 373625723 /nfs/dbraw/zinc/62/57/23/373625723.db2.gz OGVLQNQGCQYBLB-UKRRQHHQSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000300402483 373625728 /nfs/dbraw/zinc/62/57/28/373625728.db2.gz OGVLQNQGCQYBLB-UKRRQHHQSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)c1nc(NC2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000176820364 373633160 /nfs/dbraw/zinc/63/31/60/373633160.db2.gz ASOQLEFCBLNQSA-UHFFFAOYSA-N 2 2 288.439 3.419 20 0 CGADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000300871538 373640028 /nfs/dbraw/zinc/64/00/28/373640028.db2.gz XJDCUBWTWFCFMY-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000300871538 373640035 /nfs/dbraw/zinc/64/00/35/373640035.db2.gz XJDCUBWTWFCFMY-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299913403 373616165 /nfs/dbraw/zinc/61/61/65/373616165.db2.gz DQABNHJUMLVLDV-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299913403 373616171 /nfs/dbraw/zinc/61/61/71/373616171.db2.gz DQABNHJUMLVLDV-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP CC(C)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301305211 373738778 /nfs/dbraw/zinc/73/87/78/373738778.db2.gz XQWJRTRFGZHIQM-UHFFFAOYSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc[nH+]1 ZINC000302227242 373835015 /nfs/dbraw/zinc/83/50/15/373835015.db2.gz UJQYVYLMLBOMDQ-UHFFFAOYSA-N 2 2 282.322 3.327 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCCC3(F)F)n2c1 ZINC000449491741 373780954 /nfs/dbraw/zinc/78/09/54/373780954.db2.gz HUELVCNFIHIENQ-LBPRGKRZSA-N 2 2 279.334 3.168 20 0 CGADLP CCO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000449492374 373783237 /nfs/dbraw/zinc/78/32/37/373783237.db2.gz BVWPPPBELMFJCY-WBVHZDCISA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000449492374 373783247 /nfs/dbraw/zinc/78/32/47/373783247.db2.gz BVWPPPBELMFJCY-WBVHZDCISA-N 2 2 276.424 3.070 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCCCCC1 ZINC000179629450 373896245 /nfs/dbraw/zinc/89/62/45/373896245.db2.gz LSDFTQGFMNFVPS-UHFFFAOYSA-N 2 2 257.381 3.489 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCCCCC1 ZINC000179629450 373896250 /nfs/dbraw/zinc/89/62/50/373896250.db2.gz LSDFTQGFMNFVPS-UHFFFAOYSA-N 2 2 257.381 3.489 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C3CCCC3)n2c1 ZINC000449704189 373848734 /nfs/dbraw/zinc/84/87/34/373848734.db2.gz HSHMNANGRIUBFM-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000302448048 373869239 /nfs/dbraw/zinc/86/92/39/373869239.db2.gz NFKBQLBSDXNLHN-KRWDZBQOSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000302448048 373869245 /nfs/dbraw/zinc/86/92/45/373869245.db2.gz NFKBQLBSDXNLHN-KRWDZBQOSA-N 2 2 296.418 3.108 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449743021 373874149 /nfs/dbraw/zinc/87/41/49/373874149.db2.gz UCDPOKNZGRXXTA-RDJZCZTQSA-N 2 2 267.376 3.008 20 0 CGADLP COc1cccc2c(NCC(C)(C)[NH+](C)C)c(C)c[nH+]c12 ZINC000302732753 373945318 /nfs/dbraw/zinc/94/53/18/373945318.db2.gz XJJGSNPXQVYAKT-UHFFFAOYSA-N 2 2 287.407 3.304 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450286191 374039263 /nfs/dbraw/zinc/03/92/63/374039263.db2.gz LOTNWPKQONKQLM-JKSUJKDBSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450286191 374039267 /nfs/dbraw/zinc/03/92/67/374039267.db2.gz LOTNWPKQONKQLM-JKSUJKDBSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450286191 374039271 /nfs/dbraw/zinc/03/92/71/374039271.db2.gz LOTNWPKQONKQLM-JKSUJKDBSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@H]1CCC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450286191 374039277 /nfs/dbraw/zinc/03/92/77/374039277.db2.gz LOTNWPKQONKQLM-JKSUJKDBSA-N 2 2 252.446 3.370 20 0 CGADLP CS[C@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180763345 374042914 /nfs/dbraw/zinc/04/29/14/374042914.db2.gz KQJODPKCKTWPSC-AWEZNQCLSA-N 2 2 275.421 3.052 20 0 CGADLP CS[C@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180763345 374042921 /nfs/dbraw/zinc/04/29/21/374042921.db2.gz KQJODPKCKTWPSC-AWEZNQCLSA-N 2 2 275.421 3.052 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467190 374150941 /nfs/dbraw/zinc/15/09/41/374150941.db2.gz KQYPAYKBCSAOHP-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467190 374150943 /nfs/dbraw/zinc/15/09/43/374150943.db2.gz KQYPAYKBCSAOHP-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467190 374150950 /nfs/dbraw/zinc/15/09/50/374150950.db2.gz KQYPAYKBCSAOHP-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467190 374150952 /nfs/dbraw/zinc/15/09/52/374150952.db2.gz KQYPAYKBCSAOHP-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309894004 374201519 /nfs/dbraw/zinc/20/15/19/374201519.db2.gz NKFVFNGYZFWOSG-PBHICJAKSA-N 2 2 260.425 3.428 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309894004 374201523 /nfs/dbraw/zinc/20/15/23/374201523.db2.gz NKFVFNGYZFWOSG-PBHICJAKSA-N 2 2 260.425 3.428 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000309891460 374201980 /nfs/dbraw/zinc/20/19/80/374201980.db2.gz MLLKVWYPUPMVJE-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000309891460 374201985 /nfs/dbraw/zinc/20/19/85/374201985.db2.gz MLLKVWYPUPMVJE-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000182797876 374328376 /nfs/dbraw/zinc/32/83/76/374328376.db2.gz SUUXHVIZKFWZQA-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000182797876 374328381 /nfs/dbraw/zinc/32/83/81/374328381.db2.gz SUUXHVIZKFWZQA-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP Cc1cccn2cc(CC[NH2+]C3CCCCC3)[nH+]c12 ZINC000080236622 541922832 /nfs/dbraw/zinc/92/28/32/541922832.db2.gz OIAFMPRZDGTRFQ-UHFFFAOYSA-N 2 2 257.381 3.108 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000318314311 374341873 /nfs/dbraw/zinc/34/18/73/374341873.db2.gz QZGOLTIQSXKSMT-VHSSKADRSA-N 2 2 297.402 3.090 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(O)c1 ZINC000080923518 541924195 /nfs/dbraw/zinc/92/41/95/541924195.db2.gz WQMCFBQSVYJFCT-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(O)c1 ZINC000080923518 541924203 /nfs/dbraw/zinc/92/42/03/541924203.db2.gz WQMCFBQSVYJFCT-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000328190959 374360094 /nfs/dbraw/zinc/36/00/94/374360094.db2.gz AAOZMQNGPBBRQA-SJORKVTESA-N 2 2 290.451 3.227 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCCC3)CCC1 ZINC000328224698 374362038 /nfs/dbraw/zinc/36/20/38/374362038.db2.gz BEUXOUMPVATETR-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468666 374364830 /nfs/dbraw/zinc/36/48/30/374364830.db2.gz KIGJBCKSZCHUEH-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468666 374364838 /nfs/dbraw/zinc/36/48/38/374364838.db2.gz KIGJBCKSZCHUEH-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183127251 374375655 /nfs/dbraw/zinc/37/56/55/374375655.db2.gz PHLWVRKZUXRAHK-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000183127251 374375661 /nfs/dbraw/zinc/37/56/61/374375661.db2.gz PHLWVRKZUXRAHK-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000183127251 374375668 /nfs/dbraw/zinc/37/56/68/374375668.db2.gz PHLWVRKZUXRAHK-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000183127251 374375675 /nfs/dbraw/zinc/37/56/75/374375675.db2.gz PHLWVRKZUXRAHK-KGLIPLIRSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000183252712 374391431 /nfs/dbraw/zinc/39/14/31/374391431.db2.gz YQTONSORXNTLQC-LBPRGKRZSA-N 2 2 286.404 3.026 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000183252712 374391438 /nfs/dbraw/zinc/39/14/38/374391438.db2.gz YQTONSORXNTLQC-LBPRGKRZSA-N 2 2 286.404 3.026 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCCCC1 ZINC000185229580 374614534 /nfs/dbraw/zinc/61/45/34/374614534.db2.gz DQMCSKWUXYWPPY-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000185229580 374614542 /nfs/dbraw/zinc/61/45/42/374614542.db2.gz DQMCSKWUXYWPPY-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185700814 374716666 /nfs/dbraw/zinc/71/66/66/374716666.db2.gz KRUVTTIJQYYLGZ-KBPBESRZSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700814 374716672 /nfs/dbraw/zinc/71/66/72/374716672.db2.gz KRUVTTIJQYYLGZ-KBPBESRZSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185700835 374717467 /nfs/dbraw/zinc/71/74/67/374717467.db2.gz KRUVTTIJQYYLGZ-KGLIPLIRSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700835 374717472 /nfs/dbraw/zinc/71/74/72/374717472.db2.gz KRUVTTIJQYYLGZ-KGLIPLIRSA-N 2 2 293.480 3.194 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186232832 374818744 /nfs/dbraw/zinc/81/87/44/374818744.db2.gz KGTJQOAUXCIIRR-CYBMUJFWSA-N 2 2 257.381 3.045 20 0 CGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1C1CCCCC1 ZINC000334583151 374882421 /nfs/dbraw/zinc/88/24/21/374882421.db2.gz HXJNYWKVCXZIPJ-UHFFFAOYSA-N 2 2 293.480 3.422 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000186330165 374833853 /nfs/dbraw/zinc/83/38/53/374833853.db2.gz NIWZMCXZPBNGAW-CHWSQXEVSA-N 2 2 281.469 3.259 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000186330165 374833856 /nfs/dbraw/zinc/83/38/56/374833856.db2.gz NIWZMCXZPBNGAW-CHWSQXEVSA-N 2 2 281.469 3.259 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474061539 375076443 /nfs/dbraw/zinc/07/64/43/375076443.db2.gz SMNOXQHLOSHIKW-GDBMZVCRSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000474061539 375076446 /nfs/dbraw/zinc/07/64/46/375076446.db2.gz SMNOXQHLOSHIKW-GDBMZVCRSA-N 2 2 262.441 3.316 20 0 CGADLP CC(C)(C)[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000335055865 375096299 /nfs/dbraw/zinc/09/62/99/375096299.db2.gz RENHHNIDTJVQOT-UHFFFAOYSA-N 2 2 273.424 3.329 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000474349051 375100488 /nfs/dbraw/zinc/10/04/88/375100488.db2.gz JGLOZBMIMSRKGU-UHFFFAOYSA-N 2 2 280.843 3.478 20 0 CGADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000187610664 375056245 /nfs/dbraw/zinc/05/62/45/375056245.db2.gz UBIGRIHQWIHSIS-ZDUSSCGKSA-N 2 2 277.799 3.320 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000474616443 375120686 /nfs/dbraw/zinc/12/06/86/375120686.db2.gz IYELMFNCGYDIIQ-UHFFFAOYSA-N 2 2 290.426 3.352 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000335184278 375208233 /nfs/dbraw/zinc/20/82/33/375208233.db2.gz VDSWDLQRYSVUAL-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1Cl ZINC000335184278 375208236 /nfs/dbraw/zinc/20/82/36/375208236.db2.gz VDSWDLQRYSVUAL-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000335829713 375465210 /nfs/dbraw/zinc/46/52/10/375465210.db2.gz OHTXESMNJBOHJM-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000335829713 375465216 /nfs/dbraw/zinc/46/52/16/375465216.db2.gz OHTXESMNJBOHJM-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]C2CC(OC(C)C)C2)[NH+](C)C)cc1 ZINC000189527438 375404705 /nfs/dbraw/zinc/40/47/05/375404705.db2.gz QOMAUFHHARPWGR-DAWZGUTISA-N 2 2 290.451 3.143 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)n1-c1ccccc1 ZINC000189729218 375440785 /nfs/dbraw/zinc/44/07/85/375440785.db2.gz DBVMNMACXVIBIG-KRWDZBQOSA-N 2 2 299.418 3.228 20 0 CGADLP CCN(C)c1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)c[nH+]1 ZINC000191408053 375623847 /nfs/dbraw/zinc/62/38/47/375623847.db2.gz XTKDLVDVHMWADU-UHFFFAOYSA-N 2 2 296.418 3.095 20 0 CGADLP CCN(C)c1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)c[nH+]1 ZINC000191408053 375623851 /nfs/dbraw/zinc/62/38/51/375623851.db2.gz XTKDLVDVHMWADU-UHFFFAOYSA-N 2 2 296.418 3.095 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000191839307 375668592 /nfs/dbraw/zinc/66/85/92/375668592.db2.gz MDADJJJZKWMUAJ-MRXNPFEDSA-N 2 2 294.439 3.295 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000191839307 375668595 /nfs/dbraw/zinc/66/85/95/375668595.db2.gz MDADJJJZKWMUAJ-MRXNPFEDSA-N 2 2 294.439 3.295 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000336103667 375688595 /nfs/dbraw/zinc/68/85/95/375688595.db2.gz QSQCZMMRLKSHJH-NSHDSACASA-N 2 2 296.201 3.295 20 0 CGADLP COC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192024430 375690050 /nfs/dbraw/zinc/69/00/50/375690050.db2.gz CTQWYKCNVFHNHK-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP COC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192024430 375690056 /nfs/dbraw/zinc/69/00/56/375690056.db2.gz CTQWYKCNVFHNHK-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192286617 375724269 /nfs/dbraw/zinc/72/42/69/375724269.db2.gz BMIIFKAIDXOTRZ-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192286617 375724272 /nfs/dbraw/zinc/72/42/72/375724272.db2.gz BMIIFKAIDXOTRZ-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccnn1C ZINC000192913762 375801034 /nfs/dbraw/zinc/80/10/34/375801034.db2.gz BSQVKICTDVGLQO-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP c1cn(CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000193111876 375827167 /nfs/dbraw/zinc/82/71/67/375827167.db2.gz QMQXXTWQXCETGB-SFHVURJKSA-N 2 2 292.386 3.047 20 0 CGADLP CSC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000193645966 375902699 /nfs/dbraw/zinc/90/26/99/375902699.db2.gz LZDKJXDSRPEDQQ-UHFFFAOYSA-N 2 2 287.432 3.248 20 0 CGADLP Clc1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000194361635 375992005 /nfs/dbraw/zinc/99/20/05/375992005.db2.gz YJVXBHKQZYPSME-UHFFFAOYSA-N 2 2 281.812 3.435 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891374 376021664 /nfs/dbraw/zinc/02/16/64/376021664.db2.gz IMQYQMCLZSSIPZ-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891374 376021671 /nfs/dbraw/zinc/02/16/71/376021671.db2.gz IMQYQMCLZSSIPZ-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000535782247 376060530 /nfs/dbraw/zinc/06/05/30/376060530.db2.gz JLEPGWYZIWKZSM-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000535782247 376060535 /nfs/dbraw/zinc/06/05/35/376060535.db2.gz JLEPGWYZIWKZSM-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000215993632 376153957 /nfs/dbraw/zinc/15/39/57/376153957.db2.gz XYZDUKGVMNBUEY-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1Cl ZINC000215993632 376153965 /nfs/dbraw/zinc/15/39/65/376153965.db2.gz XYZDUKGVMNBUEY-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000225252212 376298631 /nfs/dbraw/zinc/29/86/31/376298631.db2.gz CPSMHUKLGOHEDJ-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000225252212 376298633 /nfs/dbraw/zinc/29/86/33/376298633.db2.gz CPSMHUKLGOHEDJ-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000226699190 376370239 /nfs/dbraw/zinc/37/02/39/376370239.db2.gz GFTHGZCYPUCWQD-MSOLQXFVSA-N 2 2 288.435 3.190 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000226699190 376370242 /nfs/dbraw/zinc/37/02/42/376370242.db2.gz GFTHGZCYPUCWQD-MSOLQXFVSA-N 2 2 288.435 3.190 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000230154324 376488259 /nfs/dbraw/zinc/48/82/59/376488259.db2.gz DIBNHCBIMWCURB-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000230154324 376488266 /nfs/dbraw/zinc/48/82/66/376488266.db2.gz DIBNHCBIMWCURB-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338780850 376530789 /nfs/dbraw/zinc/53/07/89/376530789.db2.gz OLNNFNYXCJFWKS-XIRDDKMYSA-N 2 2 272.436 3.253 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000542475060 376546828 /nfs/dbraw/zinc/54/68/28/376546828.db2.gz SLUQRTPYSWEEFJ-RDJZCZTQSA-N 2 2 282.472 3.046 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000542475060 376546834 /nfs/dbraw/zinc/54/68/34/376546834.db2.gz SLUQRTPYSWEEFJ-RDJZCZTQSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[C@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccccc1 ZINC000232742343 376588293 /nfs/dbraw/zinc/58/82/93/376588293.db2.gz HURYWOLVVCNQAF-INIZCTEOSA-N 2 2 262.441 3.356 20 0 CGADLP C[N@H+](CC[NH2+]C[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000237149412 376732983 /nfs/dbraw/zinc/73/29/83/376732983.db2.gz ZANKVMRECUSKHF-MRXNPFEDSA-N 2 2 258.409 3.064 20 0 CGADLP C[N@@H+](CC[NH2+]C[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000237149412 376732985 /nfs/dbraw/zinc/73/29/85/376732985.db2.gz ZANKVMRECUSKHF-MRXNPFEDSA-N 2 2 258.409 3.064 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151073643 542100690 /nfs/dbraw/zinc/10/06/90/542100690.db2.gz ICDUAWVPSHJDLF-ZBFHGGJFSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000151073643 542100692 /nfs/dbraw/zinc/10/06/92/542100692.db2.gz ICDUAWVPSHJDLF-ZBFHGGJFSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)s1 ZINC000545163786 376792247 /nfs/dbraw/zinc/79/22/47/376792247.db2.gz RYRQEARFSWYVCZ-UHFFFAOYSA-N 2 2 264.438 3.107 20 0 CGADLP Cc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)s1 ZINC000545163786 376792258 /nfs/dbraw/zinc/79/22/58/376792258.db2.gz RYRQEARFSWYVCZ-UHFFFAOYSA-N 2 2 264.438 3.107 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157637518 542135603 /nfs/dbraw/zinc/13/56/03/542135603.db2.gz RCWGVSAILCWJKE-QAPCUYQASA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157637518 542135607 /nfs/dbraw/zinc/13/56/07/542135607.db2.gz RCWGVSAILCWJKE-QAPCUYQASA-N 2 2 270.420 3.056 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1[NH3+] ZINC000157093566 542132195 /nfs/dbraw/zinc/13/21/95/542132195.db2.gz HWNOHYHQYSXEBB-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1[NH3+] ZINC000157093566 542132196 /nfs/dbraw/zinc/13/21/96/542132196.db2.gz HWNOHYHQYSXEBB-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278143 376929561 /nfs/dbraw/zinc/92/95/61/376929561.db2.gz YGRWMRXFKFNGGC-UKRRQHHQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278143 376929570 /nfs/dbraw/zinc/92/95/70/376929570.db2.gz YGRWMRXFKFNGGC-UKRRQHHQSA-N 2 2 250.430 3.029 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000340194876 376943916 /nfs/dbraw/zinc/94/39/16/376943916.db2.gz NWPHHSSLUGWHNB-UHFFFAOYSA-N 2 2 285.322 3.109 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245969754 376947675 /nfs/dbraw/zinc/94/76/75/376947675.db2.gz ZNQGHDFVDVXVOU-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245969754 376947687 /nfs/dbraw/zinc/94/76/87/376947687.db2.gz ZNQGHDFVDVXVOU-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246110107 376969361 /nfs/dbraw/zinc/96/93/61/376969361.db2.gz JSXKGHRHBZVRHB-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246110107 376969365 /nfs/dbraw/zinc/96/93/65/376969365.db2.gz JSXKGHRHBZVRHB-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@H]([NH2+]CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000340390176 377031260 /nfs/dbraw/zinc/03/12/60/377031260.db2.gz HYURPNHMBLMGPE-LBPRGKRZSA-N 2 2 260.356 3.191 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000558252126 376987595 /nfs/dbraw/zinc/98/75/95/376987595.db2.gz FDSOBCBFZRVUHA-FQEVSTJZSA-N 2 2 296.458 3.382 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000558401408 377002642 /nfs/dbraw/zinc/00/26/42/377002642.db2.gz LYJPZXRBLMUFIL-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000558401408 377002650 /nfs/dbraw/zinc/00/26/50/377002650.db2.gz LYJPZXRBLMUFIL-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP Fc1ccc2oc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc2c1 ZINC000560095439 377119979 /nfs/dbraw/zinc/11/99/79/377119979.db2.gz UTJRUNOXMMWQTN-UHFFFAOYSA-N 2 2 299.349 3.395 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000340476333 377089016 /nfs/dbraw/zinc/08/90/16/377089016.db2.gz UGHMCZODISFTKB-GJZGRUSLSA-N 2 2 298.434 3.286 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000246983094 377130978 /nfs/dbraw/zinc/13/09/78/377130978.db2.gz KEDTUCBOYPIGKY-RDTXWAMCSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000246983094 377130987 /nfs/dbraw/zinc/13/09/87/377130987.db2.gz KEDTUCBOYPIGKY-RDTXWAMCSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247936599 377245917 /nfs/dbraw/zinc/24/59/17/377245917.db2.gz COIMPLCDQYZPQV-IOASZLSFSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247936599 377245923 /nfs/dbraw/zinc/24/59/23/377245923.db2.gz COIMPLCDQYZPQV-IOASZLSFSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247936599 377245931 /nfs/dbraw/zinc/24/59/31/377245931.db2.gz COIMPLCDQYZPQV-IOASZLSFSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247936599 377245940 /nfs/dbraw/zinc/24/59/40/377245940.db2.gz COIMPLCDQYZPQV-IOASZLSFSA-N 2 2 294.389 3.442 20 0 CGADLP CC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000562521169 377324361 /nfs/dbraw/zinc/32/43/61/377324361.db2.gz YORKHMFGVRMJTI-UHFFFAOYSA-N 2 2 275.783 3.415 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248493591 377330420 /nfs/dbraw/zinc/33/04/20/377330420.db2.gz PHLWVRKZUXRAHK-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248493591 377330431 /nfs/dbraw/zinc/33/04/31/377330431.db2.gz PHLWVRKZUXRAHK-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248493591 377330441 /nfs/dbraw/zinc/33/04/41/377330441.db2.gz PHLWVRKZUXRAHK-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248493591 377330451 /nfs/dbraw/zinc/33/04/51/377330451.db2.gz PHLWVRKZUXRAHK-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248177223 377277120 /nfs/dbraw/zinc/27/71/20/377277120.db2.gz VTXWIVXOJMDMKM-DZGCQCFKSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248177223 377277130 /nfs/dbraw/zinc/27/71/30/377277130.db2.gz VTXWIVXOJMDMKM-DZGCQCFKSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000248177223 377277141 /nfs/dbraw/zinc/27/71/41/377277141.db2.gz VTXWIVXOJMDMKM-DZGCQCFKSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248177223 377277148 /nfs/dbraw/zinc/27/71/48/377277148.db2.gz VTXWIVXOJMDMKM-DZGCQCFKSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000248533137 377338838 /nfs/dbraw/zinc/33/88/38/377338838.db2.gz SGMMNKUYJZDFRQ-JJRVBVJISA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccnc1 ZINC000248629384 377368279 /nfs/dbraw/zinc/36/82/79/377368279.db2.gz GLKCEINOKHQPMZ-RLFYNMQTSA-N 2 2 283.419 3.424 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C(C)C)C1CC1 ZINC000562962591 377381443 /nfs/dbraw/zinc/38/14/43/377381443.db2.gz AODZJXUZSFWIHG-DLBZAZTESA-N 2 2 260.425 3.273 20 0 CGADLP C[C@@H]([NH2+]Cc1cnc(C2CCCCC2)s1)[C@H](C)[NH3+] ZINC000563447590 377468083 /nfs/dbraw/zinc/46/80/83/377468083.db2.gz DZYWDSPSARSFGF-WDEREUQCSA-N 2 2 267.442 3.016 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249182014 377474794 /nfs/dbraw/zinc/47/47/94/377474794.db2.gz IRZMHFAJMRLMAZ-KSZLIROESA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249182014 377474796 /nfs/dbraw/zinc/47/47/96/377474796.db2.gz IRZMHFAJMRLMAZ-KSZLIROESA-N 2 2 272.436 3.181 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000249187987 377475955 /nfs/dbraw/zinc/47/59/55/377475955.db2.gz LVFGRYXUJXQFQY-VMGRFDJRSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000249187987 377475965 /nfs/dbraw/zinc/47/59/65/377475965.db2.gz LVFGRYXUJXQFQY-VMGRFDJRSA-N 2 2 276.399 3.492 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163638870 542167945 /nfs/dbraw/zinc/16/79/45/542167945.db2.gz IRXLGQJSSCCUHB-HNNXBMFYSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000249875763 377539074 /nfs/dbraw/zinc/53/90/74/377539074.db2.gz GWJJAZXWGKQMNK-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000249875763 377539081 /nfs/dbraw/zinc/53/90/81/377539081.db2.gz GWJJAZXWGKQMNK-DLBZAZTESA-N 2 2 290.476 3.136 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313254111 249089864 /nfs/dbraw/zinc/08/98/64/249089864.db2.gz OCTMFTFKSPGFAG-AWEZNQCLSA-N 2 2 287.407 3.102 20 0 CGADLP CC(C)C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313312881 249091390 /nfs/dbraw/zinc/09/13/90/249091390.db2.gz ZBAOFMMRCABRTC-KRWDZBQOSA-N 2 2 271.408 3.340 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000250066434 377548100 /nfs/dbraw/zinc/54/81/00/377548100.db2.gz QKCSAQDOSQENMY-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000250066434 377548102 /nfs/dbraw/zinc/54/81/02/377548102.db2.gz QKCSAQDOSQENMY-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000515145872 249202366 /nfs/dbraw/zinc/20/23/66/249202366.db2.gz HHVKRVQUCOFWBR-ZDUSSCGKSA-N 2 2 289.448 3.392 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000519005382 249290757 /nfs/dbraw/zinc/29/07/57/249290757.db2.gz UYUCOCLLROXSDV-UHFFFAOYSA-N 2 2 289.810 3.471 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252959735 377671024 /nfs/dbraw/zinc/67/10/24/377671024.db2.gz MKVUAFQIUOVOTH-JSGCOSHPSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252959735 377671037 /nfs/dbraw/zinc/67/10/37/377671037.db2.gz MKVUAFQIUOVOTH-JSGCOSHPSA-N 2 2 293.480 3.157 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000255067894 377729204 /nfs/dbraw/zinc/72/92/04/377729204.db2.gz AWRHPAIETWGDQK-GEZHENHXSA-N 2 2 270.420 3.305 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000255067894 377729211 /nfs/dbraw/zinc/72/92/11/377729211.db2.gz AWRHPAIETWGDQK-GEZHENHXSA-N 2 2 270.420 3.305 20 0 CGADLP CCC1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000342701235 377743441 /nfs/dbraw/zinc/74/34/41/377743441.db2.gz QYSBMVMQBIYRNP-SYJJWHGVSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000575083415 377746225 /nfs/dbraw/zinc/74/62/25/377746225.db2.gz LCHAEBYBNQHQKA-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000575083415 377746232 /nfs/dbraw/zinc/74/62/32/377746232.db2.gz LCHAEBYBNQHQKA-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000342718528 377753319 /nfs/dbraw/zinc/75/33/19/377753319.db2.gz YQLHHRUOEITCQR-DZGCQCFKSA-N 2 2 272.502 3.228 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261546641 377815585 /nfs/dbraw/zinc/81/55/85/377815585.db2.gz LCTOFADHUCKDBF-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261546641 377815594 /nfs/dbraw/zinc/81/55/94/377815594.db2.gz LCTOFADHUCKDBF-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)CCc3ccco3)c[nH+]c12 ZINC000342926746 377862084 /nfs/dbraw/zinc/86/20/84/377862084.db2.gz DRVUKQLAXBPFJU-AWEZNQCLSA-N 2 2 283.375 3.347 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)C[C@@H]1[NH3+] ZINC000261930180 377868902 /nfs/dbraw/zinc/86/89/02/377868902.db2.gz CSCSTVMZRDIVQT-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)C[C@@H]1[NH3+] ZINC000261930180 377868908 /nfs/dbraw/zinc/86/89/08/377868908.db2.gz CSCSTVMZRDIVQT-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP CCC[N@H+](Cc1ccsc1Cl)C1CC[NH2+]CC1 ZINC000261989826 377876280 /nfs/dbraw/zinc/87/62/80/377876280.db2.gz SEPNZIXKMXTRCM-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP CCC[N@@H+](Cc1ccsc1Cl)C1CC[NH2+]CC1 ZINC000261989826 377876284 /nfs/dbraw/zinc/87/62/84/377876284.db2.gz SEPNZIXKMXTRCM-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000262042248 377882993 /nfs/dbraw/zinc/88/29/93/377882993.db2.gz PIGASVAPDRYPFJ-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000262042248 377882997 /nfs/dbraw/zinc/88/29/97/377882997.db2.gz PIGASVAPDRYPFJ-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)cccc1C ZINC000342911407 377857103 /nfs/dbraw/zinc/85/71/03/377857103.db2.gz MJBIRNXMWJBEQT-SJORKVTESA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)cccc1C ZINC000342911407 377857106 /nfs/dbraw/zinc/85/71/06/377857106.db2.gz MJBIRNXMWJBEQT-SJORKVTESA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cccc1C ZINC000342911407 377857110 /nfs/dbraw/zinc/85/71/10/377857110.db2.gz MJBIRNXMWJBEQT-SJORKVTESA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cccc1C ZINC000342911407 377857114 /nfs/dbraw/zinc/85/71/14/377857114.db2.gz MJBIRNXMWJBEQT-SJORKVTESA-N 2 2 272.436 3.362 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000343324905 377953629 /nfs/dbraw/zinc/95/36/29/377953629.db2.gz YPJPGXSFVZCARR-GFCCVEGCSA-N 2 2 291.345 3.171 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343324905 377953633 /nfs/dbraw/zinc/95/36/33/377953633.db2.gz YPJPGXSFVZCARR-GFCCVEGCSA-N 2 2 291.345 3.171 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000343092666 377899902 /nfs/dbraw/zinc/89/99/02/377899902.db2.gz DPSPSHCLCZEKDR-HNNXBMFYSA-N 2 2 275.783 3.204 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343601095 378035254 /nfs/dbraw/zinc/03/52/54/378035254.db2.gz KDOKWVRAWGWUFA-UHFFFAOYSA-N 2 2 278.415 3.306 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343601095 378035256 /nfs/dbraw/zinc/03/52/56/378035256.db2.gz KDOKWVRAWGWUFA-UHFFFAOYSA-N 2 2 278.415 3.306 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268864279 378135152 /nfs/dbraw/zinc/13/51/52/378135152.db2.gz KHIZPWZVJOIBRX-KDOFPFPSSA-N 2 2 290.451 3.344 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344005072 378150702 /nfs/dbraw/zinc/15/07/02/378150702.db2.gz DODNWJWIICFBMM-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344005072 378150706 /nfs/dbraw/zinc/15/07/06/378150706.db2.gz DODNWJWIICFBMM-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)C ZINC000268734067 378098433 /nfs/dbraw/zinc/09/84/33/378098433.db2.gz BERCGUWSZSCEBP-KRWDZBQOSA-N 2 2 271.408 3.456 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000268747014 378101801 /nfs/dbraw/zinc/10/18/01/378101801.db2.gz VFDYDGNMTSBBGY-CQSZACIVSA-N 2 2 283.419 3.370 20 0 CGADLP CC[N@H+](CCCc1c[nH+]cn1C)Cc1c(F)cccc1F ZINC000579608353 378176917 /nfs/dbraw/zinc/17/69/17/378176917.db2.gz QWMQEGOYYYHSFY-UHFFFAOYSA-N 2 2 293.361 3.153 20 0 CGADLP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1c(F)cccc1F ZINC000579608353 378176922 /nfs/dbraw/zinc/17/69/22/378176922.db2.gz QWMQEGOYYYHSFY-UHFFFAOYSA-N 2 2 293.361 3.153 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269051930 378180437 /nfs/dbraw/zinc/18/04/37/378180437.db2.gz WBLGXZHSOBIXCK-AWEZNQCLSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000270023775 378295536 /nfs/dbraw/zinc/29/55/36/378295536.db2.gz XDNFJHRPLOWOTR-LRDDRELGSA-N 2 2 270.376 3.439 20 0 CGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000584040668 378369104 /nfs/dbraw/zinc/36/91/04/378369104.db2.gz PEUZVNWXYNFYOZ-AWEZNQCLSA-N 2 2 290.794 3.442 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000346087174 378460298 /nfs/dbraw/zinc/46/02/98/378460298.db2.gz IEXNGDDBYBWCTG-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000346087174 378460304 /nfs/dbraw/zinc/46/03/04/378460304.db2.gz IEXNGDDBYBWCTG-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP CSC[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346158392 378484890 /nfs/dbraw/zinc/48/48/90/378484890.db2.gz BOMCOZNPGDNQBK-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP CSC[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346158392 378484894 /nfs/dbraw/zinc/48/48/94/378484894.db2.gz BOMCOZNPGDNQBK-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346201374 378502146 /nfs/dbraw/zinc/50/21/46/378502146.db2.gz NETZVEWJEAWQBV-NWDGAFQWSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346201374 378502147 /nfs/dbraw/zinc/50/21/47/378502147.db2.gz NETZVEWJEAWQBV-NWDGAFQWSA-N 2 2 261.394 3.164 20 0 CGADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC000346233815 378514952 /nfs/dbraw/zinc/51/49/52/378514952.db2.gz ZLBPTPBEPJLBPR-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC000346233815 378514960 /nfs/dbraw/zinc/51/49/60/378514960.db2.gz ZLBPTPBEPJLBPR-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000346298003 378537195 /nfs/dbraw/zinc/53/71/95/378537195.db2.gz ABLZUOBTRWEVBS-KRWDZBQOSA-N 2 2 287.382 3.038 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000346298003 378537200 /nfs/dbraw/zinc/53/72/00/378537200.db2.gz ABLZUOBTRWEVBS-KRWDZBQOSA-N 2 2 287.382 3.038 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@@H+]1C ZINC000346343063 378551633 /nfs/dbraw/zinc/55/16/33/378551633.db2.gz VIKBYOAZAJQZJH-SGTUBPSTSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@H+]1C ZINC000346343063 378551638 /nfs/dbraw/zinc/55/16/38/378551638.db2.gz VIKBYOAZAJQZJH-SGTUBPSTSA-N 2 2 276.399 3.144 20 0 CGADLP COCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C)o1 ZINC000272263352 378599330 /nfs/dbraw/zinc/59/93/30/378599330.db2.gz JOZKMJZLUROHGU-OAHLLOKOSA-N 2 2 299.374 3.103 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641396 378657624 /nfs/dbraw/zinc/65/76/24/378657624.db2.gz LYSQYYAFPRGFEZ-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641396 378657636 /nfs/dbraw/zinc/65/76/36/378657636.db2.gz LYSQYYAFPRGFEZ-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000637988163 378657989 /nfs/dbraw/zinc/65/79/89/378657989.db2.gz VUNPPAMCHXXMIS-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(F)c1 ZINC000637997597 378661580 /nfs/dbraw/zinc/66/15/80/378661580.db2.gz DHBRWAJLCKSUTB-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000346684571 378675190 /nfs/dbraw/zinc/67/51/90/378675190.db2.gz HBFICEUUGKKMHZ-OAHLLOKOSA-N 2 2 284.403 3.160 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000346684571 378675200 /nfs/dbraw/zinc/67/52/00/378675200.db2.gz HBFICEUUGKKMHZ-OAHLLOKOSA-N 2 2 284.403 3.160 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346792955 378688943 /nfs/dbraw/zinc/68/89/43/378688943.db2.gz DWSNYCYNLREIHW-GRDNDAEWSA-N 2 2 276.424 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346792955 378688950 /nfs/dbraw/zinc/68/89/50/378688950.db2.gz DWSNYCYNLREIHW-GRDNDAEWSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Oc1ccccc1 ZINC000638085726 378689293 /nfs/dbraw/zinc/68/92/93/378689293.db2.gz MMGOBUINBPRZJQ-UHFFFAOYSA-N 2 2 299.418 3.447 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128029 378710454 /nfs/dbraw/zinc/71/04/54/378710454.db2.gz OQHOLGLDIWIRGW-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128029 378710460 /nfs/dbraw/zinc/71/04/60/378710460.db2.gz OQHOLGLDIWIRGW-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128029 378710465 /nfs/dbraw/zinc/71/04/65/378710465.db2.gz OQHOLGLDIWIRGW-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638128029 378710472 /nfs/dbraw/zinc/71/04/72/378710472.db2.gz OQHOLGLDIWIRGW-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173656 378722846 /nfs/dbraw/zinc/72/28/46/378722846.db2.gz ZWGJOSURVGUZGQ-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173656 378722853 /nfs/dbraw/zinc/72/28/53/378722853.db2.gz ZWGJOSURVGUZGQ-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000348067357 378774302 /nfs/dbraw/zinc/77/43/02/378774302.db2.gz FCRFDGYVTFHSTL-IRXDYDNUSA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348078867 378780594 /nfs/dbraw/zinc/78/05/94/378780594.db2.gz FMQNALSUPMAJQG-CABCVRRESA-N 2 2 275.440 3.176 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCSc3ccccc32)CCC[N@@H+]1C ZINC000346799745 218017621 /nfs/dbraw/zinc/01/76/21/218017621.db2.gz OGZJDZRGTWACBE-BPLDGKMQSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCSc3ccccc32)CCC[N@H+]1C ZINC000346799745 218017622 /nfs/dbraw/zinc/01/76/22/218017622.db2.gz OGZJDZRGTWACBE-BPLDGKMQSA-N 2 2 276.449 3.296 20 0 CGADLP CSCCCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000348171104 378822562 /nfs/dbraw/zinc/82/25/62/378822562.db2.gz GBXIMCMLFIDHEE-UHFFFAOYSA-N 2 2 266.454 3.446 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@H]12 ZINC000348234964 378854361 /nfs/dbraw/zinc/85/43/61/378854361.db2.gz YOCHXXDBVNZCAR-YUELXQCFSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@H]12 ZINC000348234964 378854363 /nfs/dbraw/zinc/85/43/63/378854363.db2.gz YOCHXXDBVNZCAR-YUELXQCFSA-N 2 2 293.480 3.215 20 0 CGADLP CCC[C@@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348255725 378867967 /nfs/dbraw/zinc/86/79/67/378867967.db2.gz SYBNARDFJWKANB-CYBMUJFWSA-N 2 2 281.469 3.359 20 0 CGADLP CCC[C@@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348255725 378867972 /nfs/dbraw/zinc/86/79/72/378867972.db2.gz SYBNARDFJWKANB-CYBMUJFWSA-N 2 2 281.469 3.359 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000348310559 378900948 /nfs/dbraw/zinc/90/09/48/378900948.db2.gz HKTOPROIZQOCOX-KBPBESRZSA-N 2 2 281.469 3.133 20 0 CGADLP c1ccc([C@H]2C[C@H]2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000348265249 378873242 /nfs/dbraw/zinc/87/32/42/378873242.db2.gz WPRLHOBTAKGQFX-DLBZAZTESA-N 2 2 281.403 3.277 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000274875866 378911594 /nfs/dbraw/zinc/91/15/94/378911594.db2.gz GMRICPNPRKEYPI-CYBMUJFWSA-N 2 2 281.831 3.262 20 0 CGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000348346367 378921244 /nfs/dbraw/zinc/92/12/44/378921244.db2.gz CKXDVMCGCGGBJF-GJZGRUSLSA-N 2 2 290.455 3.217 20 0 CGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC000348346367 378921250 /nfs/dbraw/zinc/92/12/50/378921250.db2.gz CKXDVMCGCGGBJF-GJZGRUSLSA-N 2 2 290.455 3.217 20 0 CGADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347020950 218095423 /nfs/dbraw/zinc/09/54/23/218095423.db2.gz NIYQCQVSMNPUCM-FUNVUKJBSA-N 2 2 293.480 3.155 20 0 CGADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347020950 218095424 /nfs/dbraw/zinc/09/54/24/218095424.db2.gz NIYQCQVSMNPUCM-FUNVUKJBSA-N 2 2 293.480 3.155 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123460 218129096 /nfs/dbraw/zinc/12/90/96/218129096.db2.gz NXTRWYRPPOUCAS-BFYDXBDKSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123460 218129097 /nfs/dbraw/zinc/12/90/97/218129097.db2.gz NXTRWYRPPOUCAS-BFYDXBDKSA-N 2 2 274.408 3.361 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639072178 379003132 /nfs/dbraw/zinc/00/31/32/379003132.db2.gz SMQLAXIJVXPDSG-OAGGEKHMSA-N 2 2 273.424 3.313 20 0 CGADLP COc1ccc2cc(C[N@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000347199351 218153172 /nfs/dbraw/zinc/15/31/72/218153172.db2.gz JCSVERXJCOVXRF-SFHVURJKSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2cc(C[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000347199351 218153174 /nfs/dbraw/zinc/15/31/74/218153174.db2.gz JCSVERXJCOVXRF-SFHVURJKSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277085065 379063253 /nfs/dbraw/zinc/06/32/53/379063253.db2.gz FMKXSRWXWJIIOU-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277085065 379063263 /nfs/dbraw/zinc/06/32/63/379063263.db2.gz FMKXSRWXWJIIOU-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000277327779 379131165 /nfs/dbraw/zinc/13/11/65/379131165.db2.gz UCMUWLFXECPICR-LSDHHAIUSA-N 2 2 278.465 3.442 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353699412 220264481 /nfs/dbraw/zinc/26/44/81/220264481.db2.gz ASDOCGRETXUAKN-XJKSGUPXSA-N 2 2 284.403 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353699412 220264486 /nfs/dbraw/zinc/26/44/86/220264486.db2.gz ASDOCGRETXUAKN-XJKSGUPXSA-N 2 2 284.403 3.179 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000639228154 379167736 /nfs/dbraw/zinc/16/77/36/379167736.db2.gz PZXFUVROTBVTSI-SUMWQHHRSA-N 2 2 291.439 3.116 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349143468 379169014 /nfs/dbraw/zinc/16/90/14/379169014.db2.gz BHNUNFRPSYIFIC-QLFBSQMISA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349143468 379169026 /nfs/dbraw/zinc/16/90/26/379169026.db2.gz BHNUNFRPSYIFIC-QLFBSQMISA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000277617596 379202492 /nfs/dbraw/zinc/20/24/92/379202492.db2.gz JSCUJKDOQBGVEM-OCCSQVGLSA-N 2 2 280.362 3.037 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000277617596 379202504 /nfs/dbraw/zinc/20/25/04/379202504.db2.gz JSCUJKDOQBGVEM-OCCSQVGLSA-N 2 2 280.362 3.037 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522703 379291813 /nfs/dbraw/zinc/29/18/13/379291813.db2.gz NWJNUMIITQVTCH-HSBZDZAISA-N 2 2 294.464 3.424 20 0 CGADLP CCc1ccc(C)[nH+]c1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000639306856 379256709 /nfs/dbraw/zinc/25/67/09/379256709.db2.gz IOMJQSKDNLCUSI-CQSZACIVSA-N 2 2 270.380 3.249 20 0 CGADLP CCc1cccc(F)c1C[N@H+](CC)CCC[NH+](C)C ZINC000349385684 379263272 /nfs/dbraw/zinc/26/32/72/379263272.db2.gz RANQPPJTLFSWHO-UHFFFAOYSA-N 2 2 266.404 3.162 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](CC)CCC[NH+](C)C ZINC000349385684 379263283 /nfs/dbraw/zinc/26/32/83/379263283.db2.gz RANQPPJTLFSWHO-UHFFFAOYSA-N 2 2 266.404 3.162 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349412312 379273704 /nfs/dbraw/zinc/27/37/04/379273704.db2.gz BOBRDGFSWOAHQV-JKSUJKDBSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349412312 379273709 /nfs/dbraw/zinc/27/37/09/379273709.db2.gz BOBRDGFSWOAHQV-JKSUJKDBSA-N 2 2 261.413 3.197 20 0 CGADLP CC[C@H]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420753 379275724 /nfs/dbraw/zinc/27/57/24/379275724.db2.gz RMTFYOKDQWZDSD-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420753 379275728 /nfs/dbraw/zinc/27/57/28/379275728.db2.gz RMTFYOKDQWZDSD-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000373520432 379293375 /nfs/dbraw/zinc/29/33/75/379293375.db2.gz HVCSMXUOWHRCQB-WLYUNCDWSA-N 2 2 276.399 3.493 20 0 CGADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000639373058 379328633 /nfs/dbraw/zinc/32/86/33/379328633.db2.gz URYHWUGNSMFWLO-UHFFFAOYSA-N 2 2 292.471 3.179 20 0 CGADLP CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000639373058 379328641 /nfs/dbraw/zinc/32/86/41/379328641.db2.gz URYHWUGNSMFWLO-UHFFFAOYSA-N 2 2 292.471 3.179 20 0 CGADLP COc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374175 379329264 /nfs/dbraw/zinc/32/92/64/379329264.db2.gz CPRJLFKOOMKGMG-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2F)CC1 ZINC000639374668 379331399 /nfs/dbraw/zinc/33/13/99/379331399.db2.gz IOEQKQZQYRVAAC-UHFFFAOYSA-N 2 2 276.399 3.276 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2OC)CC1 ZINC000639379538 379340373 /nfs/dbraw/zinc/34/03/73/379340373.db2.gz QEAJZBROLPFRJN-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639346303 379301511 /nfs/dbraw/zinc/30/15/11/379301511.db2.gz RQXRVOVYNYVFGF-YUTCNCBUSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639346303 379301517 /nfs/dbraw/zinc/30/15/17/379301517.db2.gz RQXRVOVYNYVFGF-YUTCNCBUSA-N 2 2 272.383 3.027 20 0 CGADLP CCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266718109 190276955 /nfs/dbraw/zinc/27/69/55/190276955.db2.gz GSIKXBVWYYROEX-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000376729072 379596306 /nfs/dbraw/zinc/59/63/06/379596306.db2.gz NMYQTGNYYLFYQZ-IUODEOHRSA-N 2 2 285.391 3.226 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376769445 379600228 /nfs/dbraw/zinc/60/02/28/379600228.db2.gz SLKPNKDPVNFGJN-ZDUSSCGKSA-N 2 2 287.382 3.079 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376765872 379601312 /nfs/dbraw/zinc/60/13/12/379601312.db2.gz BSLWONMMWSBYCE-UONOGXRCSA-N 2 2 261.413 3.135 20 0 CGADLP CC[C@](C)([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000639928441 379650010 /nfs/dbraw/zinc/65/00/10/379650010.db2.gz LRTJZXATBVOTHE-INIZCTEOSA-N 2 2 275.371 3.327 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CC2=CCSC2)c(C)[nH+]1 ZINC000639865482 379614980 /nfs/dbraw/zinc/61/49/80/379614980.db2.gz KVIQGOKNPXUTEW-UHFFFAOYSA-N 2 2 262.422 3.112 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)[nH+]1 ZINC000377232398 379650366 /nfs/dbraw/zinc/65/03/66/379650366.db2.gz OBNIGVYZPXRMRT-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000377710288 379727834 /nfs/dbraw/zinc/72/78/34/379727834.db2.gz WUNALHHRAVYADP-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000377710288 379727838 /nfs/dbraw/zinc/72/78/38/379727838.db2.gz WUNALHHRAVYADP-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377771076 379735631 /nfs/dbraw/zinc/73/56/31/379735631.db2.gz DDCOHOOTTNYBBG-RDBSUJKOSA-N 2 2 261.413 3.073 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377771076 379735640 /nfs/dbraw/zinc/73/56/40/379735640.db2.gz DDCOHOOTTNYBBG-RDBSUJKOSA-N 2 2 261.413 3.073 20 0 CGADLP COCC[C@H]1CCCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377631085 379711956 /nfs/dbraw/zinc/71/19/56/379711956.db2.gz VOQOPHAWZRWOIA-QGZVFWFLSA-N 2 2 290.451 3.461 20 0 CGADLP COCC[C@H]1CCCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377631085 379711957 /nfs/dbraw/zinc/71/19/57/379711957.db2.gz VOQOPHAWZRWOIA-QGZVFWFLSA-N 2 2 290.451 3.461 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457894 190331891 /nfs/dbraw/zinc/33/18/91/190331891.db2.gz UBAURVQPESDLPZ-XJKSGUPXSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457894 190331892 /nfs/dbraw/zinc/33/18/92/190331892.db2.gz UBAURVQPESDLPZ-XJKSGUPXSA-N 2 2 285.366 3.416 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000347741572 218342367 /nfs/dbraw/zinc/34/23/67/218342367.db2.gz XEJCZXBMIUYCTP-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000347741572 218342370 /nfs/dbraw/zinc/34/23/70/218342370.db2.gz XEJCZXBMIUYCTP-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267479075 190333468 /nfs/dbraw/zinc/33/34/68/190333468.db2.gz ICNGLOTVAMBNDF-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544615 379850756 /nfs/dbraw/zinc/85/07/56/379850756.db2.gz BLJZZYLIFHROKJ-DUXHTMCSSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544615 379850764 /nfs/dbraw/zinc/85/07/64/379850764.db2.gz BLJZZYLIFHROKJ-DUXHTMCSSA-N 2 2 292.373 3.054 20 0 CGADLP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000352555368 379856936 /nfs/dbraw/zinc/85/69/36/379856936.db2.gz MEJHADQBUJMHHP-QQFBHYJXSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)oc1C ZINC000282403514 379912958 /nfs/dbraw/zinc/91/29/58/379912958.db2.gz XZJOCBNVFRZKTA-CYBMUJFWSA-N 2 2 250.386 3.033 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000282221432 379875447 /nfs/dbraw/zinc/87/54/47/379875447.db2.gz OXVBLWUAWZFDSS-INMHGKMJSA-N 2 2 273.424 3.442 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c3ccccc23)C1 ZINC000389161484 379893927 /nfs/dbraw/zinc/89/39/27/379893927.db2.gz LRSQYCYQRXOSKT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c3ccccc23)C1 ZINC000389161484 379893930 /nfs/dbraw/zinc/89/39/30/379893930.db2.gz LRSQYCYQRXOSKT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000398976037 379932378 /nfs/dbraw/zinc/93/23/78/379932378.db2.gz BMYPHHFZDGSKAF-JTNHKYCSSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000399018854 379933173 /nfs/dbraw/zinc/93/31/73/379933173.db2.gz GBTPZENYQGYBCV-GYSYKLTISA-N 2 2 286.341 3.497 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)s1 ZINC000399084241 379935183 /nfs/dbraw/zinc/93/51/83/379935183.db2.gz TWMWMMHLYRMACQ-XHVZSJERSA-N 2 2 252.427 3.156 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400402943 379949733 /nfs/dbraw/zinc/94/97/33/379949733.db2.gz QREXWMBJXKZXNO-HTQZYQBOSA-N 2 2 279.236 3.143 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000400636780 379953827 /nfs/dbraw/zinc/95/38/27/379953827.db2.gz UAIICSKHUMNOOC-AEFFLSMTSA-N 2 2 290.451 3.086 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854827 218377824 /nfs/dbraw/zinc/37/78/24/218377824.db2.gz DGKLJFSSXJRNLU-IAGOWNOFSA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854827 218377826 /nfs/dbraw/zinc/37/78/26/218377826.db2.gz DGKLJFSSXJRNLU-IAGOWNOFSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@H](C)C[N@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000347862717 218382278 /nfs/dbraw/zinc/38/22/78/218382278.db2.gz WPGMFGHGGRJBFU-OAHLLOKOSA-N 2 2 264.413 3.068 20 0 CGADLP CO[C@H](C)C[N@@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000347862717 218382280 /nfs/dbraw/zinc/38/22/80/218382280.db2.gz WPGMFGHGGRJBFU-OAHLLOKOSA-N 2 2 264.413 3.068 20 0 CGADLP CC[C@H](F)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837927 379993383 /nfs/dbraw/zinc/99/33/83/379993383.db2.gz IIVJTPMTTYLZLS-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837927 379993384 /nfs/dbraw/zinc/99/33/84/379993384.db2.gz IIVJTPMTTYLZLS-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352837927 379993385 /nfs/dbraw/zinc/99/33/85/379993385.db2.gz IIVJTPMTTYLZLS-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352837927 379993387 /nfs/dbraw/zinc/99/33/87/379993387.db2.gz IIVJTPMTTYLZLS-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP CC(C)C[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347866389 218384340 /nfs/dbraw/zinc/38/43/40/218384340.db2.gz MZVJFXBHGZMTAD-CQSZACIVSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)C[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347866389 218384341 /nfs/dbraw/zinc/38/43/41/218384341.db2.gz MZVJFXBHGZMTAD-CQSZACIVSA-N 2 2 295.496 3.463 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000352850499 380004199 /nfs/dbraw/zinc/00/41/99/380004199.db2.gz XTVCCJFOPVFAIA-NUEKZKHPSA-N 2 2 282.497 3.006 20 0 CGADLP CCn1cc[nH+]c1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC000641616792 380030493 /nfs/dbraw/zinc/03/04/93/380030493.db2.gz UKTFPCCTLLZVFE-UHFFFAOYSA-N 2 2 258.369 3.208 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000641773454 380090697 /nfs/dbraw/zinc/09/06/97/380090697.db2.gz HSHIBCMCIGZQJQ-CQSZACIVSA-N 2 2 294.464 3.213 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000641773454 380090706 /nfs/dbraw/zinc/09/07/06/380090706.db2.gz HSHIBCMCIGZQJQ-CQSZACIVSA-N 2 2 294.464 3.213 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000352924682 380041005 /nfs/dbraw/zinc/04/10/05/380041005.db2.gz HNIZGXATTJVYNG-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000352924682 380041022 /nfs/dbraw/zinc/04/10/22/380041022.db2.gz HNIZGXATTJVYNG-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138520 380135049 /nfs/dbraw/zinc/13/50/49/380135049.db2.gz MXPXWVYHFJTAGR-OHFALNGGSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138520 380135056 /nfs/dbraw/zinc/13/50/56/380135056.db2.gz MXPXWVYHFJTAGR-OHFALNGGSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268110162 190377692 /nfs/dbraw/zinc/37/76/92/190377692.db2.gz MBFCTTYLLDVQIM-RHSMWYFYSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000641795877 380109384 /nfs/dbraw/zinc/10/93/84/380109384.db2.gz ARSZDPMBCSREHY-CZUORRHYSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000641795877 380109394 /nfs/dbraw/zinc/10/93/94/380109394.db2.gz ARSZDPMBCSREHY-CZUORRHYSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(C)c1O ZINC000284073036 380122533 /nfs/dbraw/zinc/12/25/33/380122533.db2.gz NEUHXSXDRLEGBK-UHFFFAOYSA-N 2 2 285.391 3.043 20 0 CGADLP Clc1cccc2c(N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643031623 380205106 /nfs/dbraw/zinc/20/51/06/380205106.db2.gz TYMFQQDEGHTXFT-SMDDNHRTSA-N 2 2 287.794 3.076 20 0 CGADLP CCOC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000353233593 380180128 /nfs/dbraw/zinc/18/01/28/380180128.db2.gz FZCQPADFFARCML-OAHLLOKOSA-N 2 2 293.436 3.085 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000286248140 380182950 /nfs/dbraw/zinc/18/29/50/380182950.db2.gz UGTCZVILYBQLQE-HNNXBMFYSA-N 2 2 275.440 3.305 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000286247934 380182964 /nfs/dbraw/zinc/18/29/64/380182964.db2.gz SCHIYECZSFKXSU-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000286247934 380182969 /nfs/dbraw/zinc/18/29/69/380182969.db2.gz SCHIYECZSFKXSU-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC(F)(F)F ZINC000414265916 380206284 /nfs/dbraw/zinc/20/62/84/380206284.db2.gz LYPUFHDEBSBTAD-GVXVVHGQSA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)CC(F)(F)F ZINC000414265916 380206288 /nfs/dbraw/zinc/20/62/88/380206288.db2.gz LYPUFHDEBSBTAD-GVXVVHGQSA-N 2 2 278.362 3.037 20 0 CGADLP Clc1c[nH+]ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000353165800 380149883 /nfs/dbraw/zinc/14/98/83/380149883.db2.gz VJKAJRUHPPMNKY-UHFFFAOYSA-N 2 2 279.815 3.190 20 0 CGADLP Clc1c[nH+]ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000353165800 380149887 /nfs/dbraw/zinc/14/98/87/380149887.db2.gz VJKAJRUHPPMNKY-UHFFFAOYSA-N 2 2 279.815 3.190 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCOc2ccccc2)c[nH+]1 ZINC000353911854 380230386 /nfs/dbraw/zinc/23/03/86/380230386.db2.gz GSSYZLSIRGBCSO-UHFFFAOYSA-N 2 2 284.403 3.381 20 0 CGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353929532 380239959 /nfs/dbraw/zinc/23/99/59/380239959.db2.gz MZVQGVDTNGRTLL-SJLPKXTDSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2sccc21 ZINC000643502860 380326849 /nfs/dbraw/zinc/32/68/49/380326849.db2.gz UBCARZLDDMCORL-MBNYWOFBSA-N 2 2 264.438 3.418 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506796 380328121 /nfs/dbraw/zinc/32/81/21/380328121.db2.gz IQUCMNDPINVTNL-OAHLLOKOSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)cc1 ZINC000643507528 380329596 /nfs/dbraw/zinc/32/95/96/380329596.db2.gz HLKMVRDNHJSYDO-QGZVFWFLSA-N 2 2 258.409 3.178 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643508011 380330224 /nfs/dbraw/zinc/33/02/24/380330224.db2.gz ZMPXJLZDQSPDBG-LJQANCHMSA-N 2 2 298.405 3.451 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000643508609 380332523 /nfs/dbraw/zinc/33/25/23/380332523.db2.gz MDJARUICPLUUSG-SJCJKPOMSA-N 2 2 286.423 3.192 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1nccs1 ZINC000414496299 380272737 /nfs/dbraw/zinc/27/27/37/380272737.db2.gz PZWBQJDGGGJQNB-LBPRGKRZSA-N 2 2 261.394 3.130 20 0 CGADLP CO[C@](C)([C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000414497813 380273769 /nfs/dbraw/zinc/27/37/69/380273769.db2.gz GTXSOCWTQHHTHD-WMLDXEAASA-N 2 2 276.424 3.116 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000354037238 380292502 /nfs/dbraw/zinc/29/25/02/380292502.db2.gz ZXYTWKIOBFPCGN-QGZVFWFLSA-N 2 2 287.382 3.454 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000643469006 380315357 /nfs/dbraw/zinc/31/53/57/380315357.db2.gz AGAKSUBZFLGBPL-HOTGVXAUSA-N 2 2 288.439 3.144 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000414679116 380368731 /nfs/dbraw/zinc/36/87/31/380368731.db2.gz LCZJSUNPRINOGO-HUUCEWRRSA-N 2 2 296.480 3.103 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000414679116 380368735 /nfs/dbraw/zinc/36/87/35/380368735.db2.gz LCZJSUNPRINOGO-HUUCEWRRSA-N 2 2 296.480 3.103 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414691972 380376114 /nfs/dbraw/zinc/37/61/14/380376114.db2.gz CJSZHLGKODZHQI-QWHCGFSZSA-N 2 2 283.485 3.380 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414691972 380376117 /nfs/dbraw/zinc/37/61/17/380376117.db2.gz CJSZHLGKODZHQI-QWHCGFSZSA-N 2 2 283.485 3.380 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc2cccnc12 ZINC000414768263 380397008 /nfs/dbraw/zinc/39/70/08/380397008.db2.gz LOGWVPMHZPIJKM-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc2cccnc12 ZINC000414768263 380397013 /nfs/dbraw/zinc/39/70/13/380397013.db2.gz LOGWVPMHZPIJKM-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2s1 ZINC000414769442 380397049 /nfs/dbraw/zinc/39/70/49/380397049.db2.gz NLKXVAJNVKLAOG-SMDDNHRTSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H](C)C[C@@H]3C[NH3+])cc2s1 ZINC000414769442 380397053 /nfs/dbraw/zinc/39/70/53/380397053.db2.gz NLKXVAJNVKLAOG-SMDDNHRTSA-N 2 2 289.448 3.164 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000414741376 380390991 /nfs/dbraw/zinc/39/09/91/380390991.db2.gz KSTFIHOUOXKOCB-QGZVFWFLSA-N 2 2 260.425 3.038 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000414741376 380390993 /nfs/dbraw/zinc/39/09/93/380390993.db2.gz KSTFIHOUOXKOCB-QGZVFWFLSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000643526005 380340409 /nfs/dbraw/zinc/34/04/09/380340409.db2.gz MFGYMXOFMUIZSG-GHMZBOCLSA-N 2 2 294.345 3.439 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cs2)cs1 ZINC000643529201 380346868 /nfs/dbraw/zinc/34/68/68/380346868.db2.gz WXZOAELPCYFGKT-BDAKNGLRSA-N 2 2 281.450 3.178 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414760552 380395100 /nfs/dbraw/zinc/39/51/00/380395100.db2.gz HHLVFBQQECLNMA-KRWDZBQOSA-N 2 2 290.451 3.393 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414760552 380395106 /nfs/dbraw/zinc/39/51/06/380395106.db2.gz HHLVFBQQECLNMA-KRWDZBQOSA-N 2 2 290.451 3.393 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538000 380355755 /nfs/dbraw/zinc/35/57/55/380355755.db2.gz WLIHIGPMYJCQTI-UBHSHLNASA-N 2 2 282.428 3.149 20 0 CGADLP [NH3+]C[C@H]1CC[C@H](Cn2c[nH+]c3cc(F)c(F)cc32)CC1 ZINC000644167276 380426134 /nfs/dbraw/zinc/42/61/34/380426134.db2.gz SVTIXMBJELSSBB-XYPYZODXSA-N 2 2 279.334 3.080 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414815604 380428433 /nfs/dbraw/zinc/42/84/33/380428433.db2.gz XTRLZYHVPNBQPJ-UHFFFAOYSA-N 2 2 269.458 3.048 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1-c1cccs1 ZINC000414821026 380431463 /nfs/dbraw/zinc/43/14/63/380431463.db2.gz BNDDWGWTGZSNAJ-CYBMUJFWSA-N 2 2 290.407 3.396 20 0 CGADLP c1sc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1-c1ccccc1 ZINC000414822248 380432347 /nfs/dbraw/zinc/43/23/47/380432347.db2.gz DLEBWCSXSVIODQ-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP CC[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414837661 380444007 /nfs/dbraw/zinc/44/40/07/380444007.db2.gz UUMFCEYZYFTGRP-QAPCUYQASA-N 2 2 268.404 3.470 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CCO)c2ccccc2)c[nH+]1 ZINC000354457136 380446159 /nfs/dbraw/zinc/44/61/59/380446159.db2.gz DZLQODSJHZAYAF-GOSISDBHSA-N 2 2 284.403 3.036 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000414838793 380446188 /nfs/dbraw/zinc/44/61/88/380446188.db2.gz ZLBZGUWKWLIPGS-UHFFFAOYSA-N 2 2 268.404 3.361 20 0 CGADLP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414849465 380451667 /nfs/dbraw/zinc/45/16/67/380451667.db2.gz RFALNXSNVMHREG-MRXNPFEDSA-N 2 2 299.418 3.009 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000414854761 380456325 /nfs/dbraw/zinc/45/63/25/380456325.db2.gz VKJVPFMTIPAZAQ-CQSZACIVSA-N 2 2 286.341 3.101 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414807941 380421052 /nfs/dbraw/zinc/42/10/52/380421052.db2.gz DOFLIKKOUNKMCU-LBPRGKRZSA-N 2 2 267.442 3.018 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414810746 380421868 /nfs/dbraw/zinc/42/18/68/380421868.db2.gz ILWXECYJDFXNGV-CYBMUJFWSA-N 2 2 276.380 3.049 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000414935239 380495532 /nfs/dbraw/zinc/49/55/32/380495532.db2.gz VBFZIZLGTWVREN-LLVKDONJSA-N 2 2 282.815 3.098 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414942853 380499474 /nfs/dbraw/zinc/49/94/74/380499474.db2.gz CGWZFHDMPOXHQJ-RISCZKNCSA-N 2 2 286.341 3.194 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)C[NH3+] ZINC000414948650 380501579 /nfs/dbraw/zinc/50/15/79/380501579.db2.gz XYSNJZGCMSMMCS-AWEZNQCLSA-N 2 2 284.403 3.107 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](OCC3CC3)C2)c[nH+]1 ZINC000354638424 380509430 /nfs/dbraw/zinc/50/94/30/380509430.db2.gz QDUSLRZIYORRIY-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](OCC3CC3)C2)c[nH+]1 ZINC000354638424 380509435 /nfs/dbraw/zinc/50/94/35/380509435.db2.gz QDUSLRZIYORRIY-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)c2cccnc2)c[nH+]1 ZINC000354650503 380515508 /nfs/dbraw/zinc/51/55/08/380515508.db2.gz PFUBQZRQYLHYKF-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)c2cccnc2)c[nH+]1 ZINC000354650503 380515516 /nfs/dbraw/zinc/51/55/16/380515516.db2.gz PFUBQZRQYLHYKF-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc2[nH+]ccc(NCc3ccc(N(C)C)[nH+]c3)c2c1 ZINC000354515168 380466004 /nfs/dbraw/zinc/46/60/04/380466004.db2.gz XNSPBKOMFCLHMW-UHFFFAOYSA-N 2 2 292.386 3.038 20 0 CGADLP CCc1ccc([C@@H](CO)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354553742 380483064 /nfs/dbraw/zinc/48/30/64/380483064.db2.gz VZUKIUVAMCQWLL-LJQANCHMSA-N 2 2 298.430 3.208 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417339324 380598110 /nfs/dbraw/zinc/59/81/10/380598110.db2.gz IFRBLTGRRCCQNZ-OWCLPIDISA-N 2 2 290.476 3.482 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417339324 380598118 /nfs/dbraw/zinc/59/81/18/380598118.db2.gz IFRBLTGRRCCQNZ-OWCLPIDISA-N 2 2 290.476 3.482 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000417344226 380599496 /nfs/dbraw/zinc/59/94/96/380599496.db2.gz VQHBFSFYGIMOLW-HYVNUMGLSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000417344226 380599506 /nfs/dbraw/zinc/59/95/06/380599506.db2.gz VQHBFSFYGIMOLW-HYVNUMGLSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCCC[N@@H+]3C3CC3)c2c1C ZINC000645226192 380623336 /nfs/dbraw/zinc/62/33/36/380623336.db2.gz ZGFFEMKPZUVZTB-CQSZACIVSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CCCC[N@H+]3C3CC3)c2c1C ZINC000645226192 380623337 /nfs/dbraw/zinc/62/33/37/380623337.db2.gz ZGFFEMKPZUVZTB-CQSZACIVSA-N 2 2 299.422 3.004 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355529818 380700931 /nfs/dbraw/zinc/70/09/31/380700931.db2.gz ILCYVJILSBUGCD-VUCTXSBTSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355529818 380700937 /nfs/dbraw/zinc/70/09/37/380700937.db2.gz ILCYVJILSBUGCD-VUCTXSBTSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147645 380715129 /nfs/dbraw/zinc/71/51/29/380715129.db2.gz RKZPCHWIPWNCKA-INIZCTEOSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147645 380715134 /nfs/dbraw/zinc/71/51/34/380715134.db2.gz RKZPCHWIPWNCKA-INIZCTEOSA-N 2 2 296.499 3.245 20 0 CGADLP CO[C@]1(C)CCC[N@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000355596360 380723023 /nfs/dbraw/zinc/72/30/23/380723023.db2.gz CQIWNGCEUUEZSX-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000355596360 380723026 /nfs/dbraw/zinc/72/30/26/380723026.db2.gz CQIWNGCEUUEZSX-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815855 380741760 /nfs/dbraw/zinc/74/17/60/380741760.db2.gz XRQNYXSOTWOVBT-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815855 380741762 /nfs/dbraw/zinc/74/17/62/380741762.db2.gz XRQNYXSOTWOVBT-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP Fc1ccccc1C1([NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000646025676 380804483 /nfs/dbraw/zinc/80/44/83/380804483.db2.gz QUEHCSVWUWBGIZ-UHFFFAOYSA-N 2 2 273.355 3.081 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000356893268 380925417 /nfs/dbraw/zinc/92/54/17/380925417.db2.gz ISGVEENIESSUPF-CQSZACIVSA-N 2 2 298.434 3.070 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000356996044 380978099 /nfs/dbraw/zinc/97/80/99/380978099.db2.gz HDRLFEQTNIANTF-KGLIPLIRSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000357310013 381099928 /nfs/dbraw/zinc/09/99/28/381099928.db2.gz FNRLDNSUIJQMMN-LLVKDONJSA-N 2 2 270.311 3.071 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358230753 381297374 /nfs/dbraw/zinc/29/73/74/381297374.db2.gz YSUQMORBWRBWSS-GRDNDAEWSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358230753 381297388 /nfs/dbraw/zinc/29/73/88/381297388.db2.gz YSUQMORBWRBWSS-GRDNDAEWSA-N 2 2 276.424 3.075 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000334842894 207172640 /nfs/dbraw/zinc/17/26/40/207172640.db2.gz YYYGNVKXHVQWCS-VXNVDRBHSA-N 2 2 279.236 3.143 20 0 CGADLP C[C@@H]1CCCC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836768 218753404 /nfs/dbraw/zinc/75/34/04/218753404.db2.gz XURJJJSUQGBACU-HIFRSBDPSA-N 2 2 270.380 3.317 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000334862175 207205565 /nfs/dbraw/zinc/20/55/65/207205565.db2.gz IFLXHDGIGZNEFY-MWLCHTKSSA-N 2 2 273.207 3.224 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360987456 381641379 /nfs/dbraw/zinc/64/13/79/381641379.db2.gz PPGDEXZBWVZJJN-YOEHRIQHSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360987456 381641388 /nfs/dbraw/zinc/64/13/88/381641388.db2.gz PPGDEXZBWVZJJN-YOEHRIQHSA-N 2 2 288.435 3.234 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nc1C(C)C ZINC000361345104 381709010 /nfs/dbraw/zinc/70/90/10/381709010.db2.gz HHSNVEVFFCZKHS-YRGRVCCFSA-N 2 2 295.496 3.393 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361345104 381709011 /nfs/dbraw/zinc/70/90/11/381709011.db2.gz HHSNVEVFFCZKHS-YRGRVCCFSA-N 2 2 295.496 3.393 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000235205011 542310750 /nfs/dbraw/zinc/31/07/50/542310750.db2.gz CXIKCNBJBZAXHP-BXUZGUMPSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235223555 542311761 /nfs/dbraw/zinc/31/17/61/542311761.db2.gz BCHNJWWDSAUTKF-RISCZKNCSA-N 2 2 252.789 3.133 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCCCC3CCOCC3)CC2)[nH+]1 ZINC000366895573 382323442 /nfs/dbraw/zinc/32/34/42/382323442.db2.gz YNWVYFPYEQSXJJ-UHFFFAOYSA-N 2 2 291.439 3.186 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000370113665 382418295 /nfs/dbraw/zinc/41/82/95/382418295.db2.gz SDECZYAMEGXMGX-AWEZNQCLSA-N 2 2 299.418 3.121 20 0 CGADLP C[NH2+][C@H](C)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414978469 533000955 /nfs/dbraw/zinc/00/09/55/533000955.db2.gz TUOCGBANJZKSPU-GFCCVEGCSA-N 2 2 260.406 3.113 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335402144 208376147 /nfs/dbraw/zinc/37/61/47/208376147.db2.gz ZUKUIYPXBCHOOS-GFCCVEGCSA-N 2 2 273.355 3.489 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755949 220309751 /nfs/dbraw/zinc/30/97/51/220309751.db2.gz UDIMAUCWBWGXLT-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755949 220309754 /nfs/dbraw/zinc/30/97/54/220309754.db2.gz UDIMAUCWBWGXLT-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755949 220309759 /nfs/dbraw/zinc/30/97/59/220309759.db2.gz UDIMAUCWBWGXLT-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755949 220309763 /nfs/dbraw/zinc/30/97/63/220309763.db2.gz UDIMAUCWBWGXLT-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(F)c1 ZINC000423235591 533169165 /nfs/dbraw/zinc/16/91/65/533169165.db2.gz GPTYPFASPPWJPN-YVEFUNNKSA-N 2 2 288.366 3.185 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000328521864 542443620 /nfs/dbraw/zinc/44/36/20/542443620.db2.gz RVDGLBYYXKRVCJ-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000328521864 542443625 /nfs/dbraw/zinc/44/36/25/542443625.db2.gz RVDGLBYYXKRVCJ-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281280464 195178628 /nfs/dbraw/zinc/17/86/28/195178628.db2.gz ISPBGWLIHGFFGC-AWEZNQCLSA-N 2 2 287.407 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281280464 195178631 /nfs/dbraw/zinc/17/86/31/195178631.db2.gz ISPBGWLIHGFFGC-AWEZNQCLSA-N 2 2 287.407 3.307 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436277077 533206706 /nfs/dbraw/zinc/20/67/06/533206706.db2.gz WDCUCNBPAMHKJA-KRWDZBQOSA-N 2 2 296.499 3.295 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436277077 533206713 /nfs/dbraw/zinc/20/67/13/533206713.db2.gz WDCUCNBPAMHKJA-KRWDZBQOSA-N 2 2 296.499 3.295 20 0 CGADLP CC1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000344856057 542504414 /nfs/dbraw/zinc/50/44/14/542504414.db2.gz YBQFLDAVUJXFJV-UHFFFAOYSA-N 2 2 294.483 3.049 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348076122 542513953 /nfs/dbraw/zinc/51/39/53/542513953.db2.gz NCLYCEKLLMHCII-GJZGRUSLSA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000348120045 542516694 /nfs/dbraw/zinc/51/66/94/542516694.db2.gz HSQATZGTSBHNQF-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000348120045 542516685 /nfs/dbraw/zinc/51/66/85/542516685.db2.gz HSQATZGTSBHNQF-ZTFGCOKTSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)C)CCC2 ZINC000353523616 542558490 /nfs/dbraw/zinc/55/84/90/542558490.db2.gz XYOYRJDVRBLHIR-RRFJBIMHSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000222847626 262362025 /nfs/dbraw/zinc/36/20/25/262362025.db2.gz IPNIDLSZUWMHGD-QWRGUYRKSA-N 2 2 284.856 3.159 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000222847626 262362027 /nfs/dbraw/zinc/36/20/27/262362027.db2.gz IPNIDLSZUWMHGD-QWRGUYRKSA-N 2 2 284.856 3.159 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489200 542579764 /nfs/dbraw/zinc/57/97/64/542579764.db2.gz RDOMLAPWWFGCTR-RHSMWYFYSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489200 542579768 /nfs/dbraw/zinc/57/97/68/542579768.db2.gz RDOMLAPWWFGCTR-RHSMWYFYSA-N 2 2 296.418 3.341 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1csc(-c2ccccc2)n1 ZINC000423317014 533361386 /nfs/dbraw/zinc/36/13/86/533361386.db2.gz BCSQAIKPDVIQCQ-GFCCVEGCSA-N 2 2 287.432 3.342 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000368448777 533407489 /nfs/dbraw/zinc/40/74/89/533407489.db2.gz DZRLXZQACVXCGT-GRYCIOLGSA-N 2 2 295.839 3.380 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccs1 ZINC000423396191 533425261 /nfs/dbraw/zinc/42/52/61/533425261.db2.gz TXSFFGFMGYXAJE-YPMHNXCESA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150802 533532930 /nfs/dbraw/zinc/53/29/30/533532930.db2.gz ZFVQNAWHCJXNAL-XNJGSVPQSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@H](c2ccccc2)C1 ZINC000155759134 533650196 /nfs/dbraw/zinc/65/01/96/533650196.db2.gz KFXJRWMCIJOJBM-CGTJXYLNSA-N 2 2 283.419 3.445 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000449021307 533653025 /nfs/dbraw/zinc/65/30/25/533653025.db2.gz SQZYVSLLBSLFIP-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414824106 533654539 /nfs/dbraw/zinc/65/45/39/533654539.db2.gz AELBMBYUNPWNDQ-KBXCAEBGSA-N 2 2 286.394 3.436 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000381186354 542597132 /nfs/dbraw/zinc/59/71/32/542597132.db2.gz HUEBPWRWPSYJQJ-RDJZCZTQSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000381186354 542597133 /nfs/dbraw/zinc/59/71/33/542597133.db2.gz HUEBPWRWPSYJQJ-RDJZCZTQSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000393285597 542611816 /nfs/dbraw/zinc/61/18/16/542611816.db2.gz OWKRTZGPIMNWCZ-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000393285597 542611822 /nfs/dbraw/zinc/61/18/22/542611822.db2.gz OWKRTZGPIMNWCZ-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CCC2 ZINC000394778821 542614616 /nfs/dbraw/zinc/61/46/16/542614616.db2.gz PXCBMGDDVXARHI-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326208 391987242 /nfs/dbraw/zinc/98/72/42/391987242.db2.gz JSQMSSHSUNUXLM-UONOGXRCSA-N 2 2 252.789 3.133 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000054556572 392092314 /nfs/dbraw/zinc/09/23/14/392092314.db2.gz HTDMPSFNLDOFHJ-YMAMQOFZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000054556572 392092317 /nfs/dbraw/zinc/09/23/17/392092317.db2.gz HTDMPSFNLDOFHJ-YMAMQOFZSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000061329207 392127042 /nfs/dbraw/zinc/12/70/42/392127042.db2.gz MIMZIVLUIGNLMO-CQSZACIVSA-N 2 2 275.421 3.392 20 0 CGADLP CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000070456372 392184156 /nfs/dbraw/zinc/18/41/56/392184156.db2.gz QWYFUZTVZGWDJI-ZDUSSCGKSA-N 2 2 276.428 3.135 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CC(F)(F)F)n2c1 ZINC000361741921 392309137 /nfs/dbraw/zinc/30/91/37/392309137.db2.gz HIZZGIBXUNBHNQ-SNVBAGLBSA-N 2 2 271.286 3.073 20 0 CGADLP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361756019 392313534 /nfs/dbraw/zinc/31/35/34/392313534.db2.gz SUKCLAYPEJNNST-JCGIZDLHSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000361758294 392315490 /nfs/dbraw/zinc/31/54/90/392315490.db2.gz AFLVFRZMKMDYBT-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361758294 392315494 /nfs/dbraw/zinc/31/54/94/392315494.db2.gz AFLVFRZMKMDYBT-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP COCC1(C[N@@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318558 392278903 /nfs/dbraw/zinc/27/89/03/392278903.db2.gz NHLPPDHQZPDQSP-ULQDDVLXSA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[N@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318558 392278905 /nfs/dbraw/zinc/27/89/05/392278905.db2.gz NHLPPDHQZPDQSP-ULQDDVLXSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccoc1 ZINC000285853618 392340615 /nfs/dbraw/zinc/34/06/15/392340615.db2.gz YBOHDFZYKZYAEM-OAHLLOKOSA-N 2 2 261.369 3.243 20 0 CGADLP Cc1ccc([C@]2(C)CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000364848441 392439716 /nfs/dbraw/zinc/43/97/16/392439716.db2.gz QLRSNYNDFXNJAP-GOSISDBHSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc([C@]2(C)CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000364848441 392439724 /nfs/dbraw/zinc/43/97/24/392439724.db2.gz QLRSNYNDFXNJAP-GOSISDBHSA-N 2 2 283.419 3.245 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000155872404 392543480 /nfs/dbraw/zinc/54/34/80/392543480.db2.gz KVWZCHKFILDFCF-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000155872404 392543484 /nfs/dbraw/zinc/54/34/84/392543484.db2.gz KVWZCHKFILDFCF-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2cccc(F)c2[nH+]1 ZINC000291637079 392474601 /nfs/dbraw/zinc/47/46/01/392474601.db2.gz CAVAURKGPFNICV-SFHVURJKSA-N 2 2 299.393 3.214 20 0 CGADLP Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2cccc(F)c2[nH+]1 ZINC000291637079 392474605 /nfs/dbraw/zinc/47/46/05/392474605.db2.gz CAVAURKGPFNICV-SFHVURJKSA-N 2 2 299.393 3.214 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782652 392480445 /nfs/dbraw/zinc/48/04/45/392480445.db2.gz VASAOTBGTLUGMC-CZUORRHYSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782652 392480449 /nfs/dbraw/zinc/48/04/49/392480449.db2.gz VASAOTBGTLUGMC-CZUORRHYSA-N 2 2 294.389 3.142 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152094212 392495120 /nfs/dbraw/zinc/49/51/20/392495120.db2.gz VEAORJFOBYXGBO-GJZGRUSLSA-N 2 2 271.408 3.456 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000297511660 392568191 /nfs/dbraw/zinc/56/81/91/392568191.db2.gz CNAGYXQLESTEGJ-TUKIKUTGSA-N 2 2 264.438 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccsc1 ZINC000297511660 392568194 /nfs/dbraw/zinc/56/81/94/392568194.db2.gz CNAGYXQLESTEGJ-TUKIKUTGSA-N 2 2 264.438 3.272 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncs1 ZINC000163250835 392605004 /nfs/dbraw/zinc/60/50/04/392605004.db2.gz XYNXASAZDCBKNH-LLVKDONJSA-N 2 2 267.442 3.057 20 0 CGADLP COc1ccccc1C1([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000647329387 392672839 /nfs/dbraw/zinc/67/28/39/392672839.db2.gz NTQHDBWAGCSYLD-UHFFFAOYSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@@H+]1C1CC1 ZINC000647330766 392674000 /nfs/dbraw/zinc/67/40/00/392674000.db2.gz OBLGOFSZUHKDJU-BBRMVZONSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@H+]1C1CC1 ZINC000647330766 392674009 /nfs/dbraw/zinc/67/40/09/392674009.db2.gz OBLGOFSZUHKDJU-BBRMVZONSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333503 392681568 /nfs/dbraw/zinc/68/15/68/392681568.db2.gz SVJIHAITJJSAFQ-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333503 392681576 /nfs/dbraw/zinc/68/15/76/392681576.db2.gz SVJIHAITJJSAFQ-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634430 392683557 /nfs/dbraw/zinc/68/35/57/392683557.db2.gz AWJWYIMLWITXNG-SJORKVTESA-N 2 2 276.399 3.041 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634430 392683559 /nfs/dbraw/zinc/68/35/59/392683559.db2.gz AWJWYIMLWITXNG-SJORKVTESA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634430 392683561 /nfs/dbraw/zinc/68/35/61/392683561.db2.gz AWJWYIMLWITXNG-SJORKVTESA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634430 392683564 /nfs/dbraw/zinc/68/35/64/392683564.db2.gz AWJWYIMLWITXNG-SJORKVTESA-N 2 2 276.399 3.041 20 0 CGADLP Cc1nnc([C@H](C)[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)o1 ZINC000374645203 392684615 /nfs/dbraw/zinc/68/46/15/392684615.db2.gz INARDEHQIALFDM-LBPRGKRZSA-N 2 2 286.379 3.022 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@@H+]1C1CC1 ZINC000310870246 392659738 /nfs/dbraw/zinc/65/97/38/392659738.db2.gz PQLLJRPKIKSNBL-CHWSQXEVSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@H+]1C1CC1 ZINC000310870246 392659745 /nfs/dbraw/zinc/65/97/45/392659745.db2.gz PQLLJRPKIKSNBL-CHWSQXEVSA-N 2 2 252.446 3.274 20 0 CGADLP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553804 392767294 /nfs/dbraw/zinc/76/72/94/392767294.db2.gz JXNDLVBVSCPCLK-QGZVFWFLSA-N 2 2 270.420 3.328 20 0 CGADLP c1c2ccccc2oc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553918 392767636 /nfs/dbraw/zinc/76/76/36/392767636.db2.gz MZOOOOOANKRVPR-MRXNPFEDSA-N 2 2 270.376 3.197 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCC1CC1)CCC2 ZINC000375094177 392737054 /nfs/dbraw/zinc/73/70/54/392737054.db2.gz KXUDRRQWMIJFEL-DOMZBBRYSA-N 2 2 261.413 3.237 20 0 CGADLP Clc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482984 392737318 /nfs/dbraw/zinc/73/73/18/392737318.db2.gz PLUQYVRZWMBIGK-UHFFFAOYSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482984 392737322 /nfs/dbraw/zinc/73/73/22/392737322.db2.gz PLUQYVRZWMBIGK-UHFFFAOYSA-N 2 2 264.800 3.056 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349332 392699988 /nfs/dbraw/zinc/69/99/88/392699988.db2.gz KBUGCFWYBFTMPC-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349332 392699995 /nfs/dbraw/zinc/69/99/95/392699995.db2.gz KBUGCFWYBFTMPC-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000647364573 392707624 /nfs/dbraw/zinc/70/76/24/392707624.db2.gz FAOLZPMRYFYEAS-AWEZNQCLSA-N 2 2 283.375 3.437 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553956 392767071 /nfs/dbraw/zinc/76/70/71/392767071.db2.gz NVBZMTZUGMEPMW-KRWDZBQOSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000647803980 392805301 /nfs/dbraw/zinc/80/53/01/392805301.db2.gz GNJLSKKIKACCEJ-DOMZBBRYSA-N 2 2 278.827 3.449 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[NH+](C)C ZINC000510733280 392811364 /nfs/dbraw/zinc/81/13/64/392811364.db2.gz KCYPZOSIARCLSS-BZUAXINKSA-N 2 2 272.452 3.471 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCC4)CC3)cn2)c[nH+]1 ZINC000375754343 392814819 /nfs/dbraw/zinc/81/48/19/392814819.db2.gz ODKAHAKCGFJNMO-UHFFFAOYSA-N 2 2 282.391 3.033 20 0 CGADLP c1cc2c(cc[nH+]c2NCc2ccccc2-n2cc[nH+]c2)[nH]1 ZINC000647875230 392821151 /nfs/dbraw/zinc/82/11/51/392821151.db2.gz CCFANMVVJTXZJY-UHFFFAOYSA-N 2 2 289.342 3.361 20 0 CGADLP Fc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879587 392823370 /nfs/dbraw/zinc/82/33/70/392823370.db2.gz VAJFZVAOPNSARG-QGZVFWFLSA-N 2 2 298.405 3.437 20 0 CGADLP Fc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879587 392823375 /nfs/dbraw/zinc/82/33/75/392823375.db2.gz VAJFZVAOPNSARG-QGZVFWFLSA-N 2 2 298.405 3.437 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381508893 392909134 /nfs/dbraw/zinc/90/91/34/392909134.db2.gz KMJDLUNXODIBSL-PYVGIJRLSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381508893 392909140 /nfs/dbraw/zinc/90/91/40/392909140.db2.gz KMJDLUNXODIBSL-PYVGIJRLSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000336497285 392858869 /nfs/dbraw/zinc/85/88/69/392858869.db2.gz IMMQKIIOFDZNIU-LSDHHAIUSA-N 2 2 269.392 3.166 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382078936 392916681 /nfs/dbraw/zinc/91/66/81/392916681.db2.gz HVXKVYLSKZHQND-LBDPXKHJSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382078936 392916687 /nfs/dbraw/zinc/91/66/87/392916687.db2.gz HVXKVYLSKZHQND-LBDPXKHJSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194705217 392935375 /nfs/dbraw/zinc/93/53/75/392935375.db2.gz GHSIXQDDAMIUMX-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@H]1C ZINC000459673393 392949893 /nfs/dbraw/zinc/94/98/93/392949893.db2.gz YQPBJSWKHUKBKW-FMKPAKJESA-N 2 2 263.429 3.013 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)CCO1 ZINC000648416007 393006093 /nfs/dbraw/zinc/00/60/93/393006093.db2.gz DEMVMEATVBBQII-RCCFBDPRSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cccc(C)c1C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545858172 393010079 /nfs/dbraw/zinc/01/00/79/393010079.db2.gz KDFNVPHSDJBULY-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1cccc(C)c1C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545858172 393010084 /nfs/dbraw/zinc/01/00/84/393010084.db2.gz KDFNVPHSDJBULY-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c2ccccc21 ZINC000343785924 393033378 /nfs/dbraw/zinc/03/33/78/393033378.db2.gz FSGIMGAFMADEJE-OQUILHJVSA-N 2 2 258.409 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c2ccccc21 ZINC000343785924 393033386 /nfs/dbraw/zinc/03/33/86/393033386.db2.gz FSGIMGAFMADEJE-OQUILHJVSA-N 2 2 258.409 3.307 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000648450112 393023604 /nfs/dbraw/zinc/02/36/04/393023604.db2.gz VHGQYZSOLNTQSR-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000648450112 393023609 /nfs/dbraw/zinc/02/36/09/393023609.db2.gz VHGQYZSOLNTQSR-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@@H]3C)c[nH+]c12 ZINC000466421303 393028853 /nfs/dbraw/zinc/02/88/53/393028853.db2.gz DAEXCGOIMUSUQG-GXTWGEPZSA-N 2 2 257.381 3.169 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC[C@H]3C)n2c1 ZINC000466413766 393029313 /nfs/dbraw/zinc/02/93/13/393029313.db2.gz KWDBHAHHULZHTF-KGLIPLIRSA-N 2 2 257.381 3.169 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC ZINC000415043729 393108459 /nfs/dbraw/zinc/10/84/59/393108459.db2.gz BCBMOLCXGGZNLD-KRWDZBQOSA-N 2 2 284.403 3.047 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000547333372 393106415 /nfs/dbraw/zinc/10/64/15/393106415.db2.gz GHFSHNPDWBPGNB-JOCBIADPSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC000547333372 393106421 /nfs/dbraw/zinc/10/64/21/393106421.db2.gz GHFSHNPDWBPGNB-JOCBIADPSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414954058 393062833 /nfs/dbraw/zinc/06/28/33/393062833.db2.gz MNNGPOZPLODPAR-RNCFNFMXSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]1(C)C[NH3+] ZINC000415050211 393113009 /nfs/dbraw/zinc/11/30/09/393113009.db2.gz FOJBZSBYIBJCNT-BXKDBHETSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@]1(C)C[NH3+] ZINC000415050211 393113012 /nfs/dbraw/zinc/11/30/12/393113012.db2.gz FOJBZSBYIBJCNT-BXKDBHETSA-N 2 2 292.370 3.184 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053153 393114860 /nfs/dbraw/zinc/11/48/60/393114860.db2.gz OGSYWFZXHRGHEM-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053153 393114865 /nfs/dbraw/zinc/11/48/65/393114865.db2.gz OGSYWFZXHRGHEM-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Clc1sccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053498 393115073 /nfs/dbraw/zinc/11/50/73/393115073.db2.gz OSFKLDGCHCJBFI-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053498 393115078 /nfs/dbraw/zinc/11/50/78/393115078.db2.gz OSFKLDGCHCJBFI-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000415056507 393116710 /nfs/dbraw/zinc/11/67/10/393116710.db2.gz QUHXCZGGOIPWGT-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000415058190 393119856 /nfs/dbraw/zinc/11/98/56/393119856.db2.gz UQSBTNPMNNEOEF-SECBINFHSA-N 2 2 280.359 3.230 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000547505386 393123376 /nfs/dbraw/zinc/12/33/76/393123376.db2.gz IOCBUUBCBSPJQM-VXGBXAGGSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000547505386 393123383 /nfs/dbraw/zinc/12/33/83/393123383.db2.gz IOCBUUBCBSPJQM-VXGBXAGGSA-N 2 2 266.351 3.039 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000415068607 393126856 /nfs/dbraw/zinc/12/68/56/393126856.db2.gz RKFDXNOJRXTUTP-QGZVFWFLSA-N 2 2 290.357 3.317 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccsc1Cl)C1CCCC1 ZINC000415070788 393128338 /nfs/dbraw/zinc/12/83/38/393128338.db2.gz VNWBWOJRBPXFJL-NSHDSACASA-N 2 2 258.818 3.009 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415087275 393138517 /nfs/dbraw/zinc/13/85/17/393138517.db2.gz SQUASMWHSBBHOK-HOCLYGCPSA-N 2 2 276.424 3.124 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1C1CC1 ZINC000415085876 393139009 /nfs/dbraw/zinc/13/90/09/393139009.db2.gz TYTHREHRGCHXRJ-MGPQQGTHSA-N 2 2 291.464 3.031 20 0 CGADLP C[N@H+](CC[NH3+])Cc1cccc(OCCCc2ccccc2)c1 ZINC000415107288 393146969 /nfs/dbraw/zinc/14/69/69/393146969.db2.gz KYYLDTYFQZHUKA-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1cccc(OCCCc2ccccc2)c1 ZINC000415107288 393146971 /nfs/dbraw/zinc/14/69/71/393146971.db2.gz KYYLDTYFQZHUKA-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000415103964 393147436 /nfs/dbraw/zinc/14/74/36/393147436.db2.gz DHOGQWPJAOFFNH-KKXDTOCCSA-N 2 2 299.393 3.365 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000353251925 393218109 /nfs/dbraw/zinc/21/81/09/393218109.db2.gz RMIJEFXEZZLWKQ-OUCADQQQSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000353251925 393218113 /nfs/dbraw/zinc/21/81/13/393218113.db2.gz RMIJEFXEZZLWKQ-OUCADQQQSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1cc(NC(=O)CC(C)(C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000646534497 393297603 /nfs/dbraw/zinc/29/76/03/393297603.db2.gz PWFUPCLUUSRDDN-UHFFFAOYSA-N 2 2 299.374 3.248 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000472063126 393329483 /nfs/dbraw/zinc/32/94/83/393329483.db2.gz MLJLYXQFBPJSRP-ORAYPTAESA-N 2 2 297.446 3.357 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000472063126 393329487 /nfs/dbraw/zinc/32/94/87/393329487.db2.gz MLJLYXQFBPJSRP-ORAYPTAESA-N 2 2 297.446 3.357 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CO[C@H](C)C2)c(C)c1 ZINC000647196377 393380655 /nfs/dbraw/zinc/38/06/55/393380655.db2.gz ZJIQMEHDENZBCA-NUJGCVRESA-N 2 2 299.418 3.008 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647230386 393400848 /nfs/dbraw/zinc/40/08/48/393400848.db2.gz FXSIMNBELARWSZ-GFOCRRMGSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647230386 393400853 /nfs/dbraw/zinc/40/08/53/393400853.db2.gz FXSIMNBELARWSZ-GFOCRRMGSA-N 2 2 270.420 3.005 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474799225 393349001 /nfs/dbraw/zinc/34/90/01/393349001.db2.gz OBACSMCIKPNQAT-HZPDHXFCSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000474799225 393349006 /nfs/dbraw/zinc/34/90/06/393349006.db2.gz OBACSMCIKPNQAT-HZPDHXFCSA-N 2 2 284.488 3.149 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H](C)C1CCCCC1 ZINC000474929951 393358010 /nfs/dbraw/zinc/35/80/10/393358010.db2.gz WTLPXWVEWLTGPB-YCPHGPKFSA-N 2 2 275.440 3.392 20 0 CGADLP CSC1(C[NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000356156982 393362942 /nfs/dbraw/zinc/36/29/42/393362942.db2.gz BODZCZSMZBQTOH-AWEZNQCLSA-N 2 2 284.513 3.372 20 0 CGADLP CSC1(C[NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000356156982 393362949 /nfs/dbraw/zinc/36/29/49/393362949.db2.gz BODZCZSMZBQTOH-AWEZNQCLSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)(C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCCC1 ZINC000647167290 393365328 /nfs/dbraw/zinc/36/53/28/393365328.db2.gz ZYEJBMBZGDYNIN-UHFFFAOYSA-N 2 2 274.399 3.418 20 0 CGADLP CSC1(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000356172514 393367721 /nfs/dbraw/zinc/36/77/21/393367721.db2.gz VOBYSBALJSBSHO-INIZCTEOSA-N 2 2 292.492 3.473 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C2CC2)c1 ZINC000419748908 393418365 /nfs/dbraw/zinc/41/83/65/393418365.db2.gz PKNQJEJLEOZHFS-ZDUSSCGKSA-N 2 2 298.434 3.214 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000356331274 393421457 /nfs/dbraw/zinc/42/14/57/393421457.db2.gz HLGOGVNLBCTASK-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000356331274 393421458 /nfs/dbraw/zinc/42/14/58/393421458.db2.gz HLGOGVNLBCTASK-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081599 393434407 /nfs/dbraw/zinc/43/44/07/393434407.db2.gz CUABHSJBKRKZSK-XJKSGUPXSA-N 2 2 280.843 3.201 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081599 393434409 /nfs/dbraw/zinc/43/44/09/393434409.db2.gz CUABHSJBKRKZSK-XJKSGUPXSA-N 2 2 280.843 3.201 20 0 CGADLP CC(C)c1nc(N2CC[C@H]([C@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235176 393441431 /nfs/dbraw/zinc/44/14/31/393441431.db2.gz OJYBNTIUZWGION-STQMWFEESA-N 2 2 290.455 3.071 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1cccc(Cl)c1Cl)C1CC1 ZINC000420286954 393450547 /nfs/dbraw/zinc/45/05/47/393450547.db2.gz HFIHIAZNLDWXHM-CYBMUJFWSA-N 2 2 273.207 3.210 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000420320562 393466220 /nfs/dbraw/zinc/46/62/20/393466220.db2.gz QRBIQTPZUZMBMG-LLVKDONJSA-N 2 2 268.351 3.057 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000420320562 393466229 /nfs/dbraw/zinc/46/62/29/393466229.db2.gz QRBIQTPZUZMBMG-LLVKDONJSA-N 2 2 268.351 3.057 20 0 CGADLP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135777 393467943 /nfs/dbraw/zinc/46/79/43/393467943.db2.gz OVCBZPGEAYCJAN-RDJZCZTQSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135777 393467952 /nfs/dbraw/zinc/46/79/52/393467952.db2.gz OVCBZPGEAYCJAN-RDJZCZTQSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc2O1 ZINC000429135777 393467955 /nfs/dbraw/zinc/46/79/55/393467955.db2.gz OVCBZPGEAYCJAN-RDJZCZTQSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc2O1 ZINC000429135777 393467963 /nfs/dbraw/zinc/46/79/63/393467963.db2.gz OVCBZPGEAYCJAN-RDJZCZTQSA-N 2 2 288.435 3.144 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420358688 393472224 /nfs/dbraw/zinc/47/22/24/393472224.db2.gz IXZZPXZTMQPPEV-KRWDZBQOSA-N 2 2 299.418 3.337 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)on2)cc1 ZINC000420359353 393472899 /nfs/dbraw/zinc/47/28/99/393472899.db2.gz JWSSVCNZQMWLOA-KRWDZBQOSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359635 393473247 /nfs/dbraw/zinc/47/32/47/393473247.db2.gz GFRXHGGQYZMIJD-SUNKGSAMSA-N 2 2 286.341 3.182 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000420422873 393486878 /nfs/dbraw/zinc/48/68/78/393486878.db2.gz ZWIGPHCUDLOYJU-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP COc1ccc([C@H](C[NH2+]C[C@H]2C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000488365956 393497693 /nfs/dbraw/zinc/49/76/93/393497693.db2.gz KFAARQLGFLCNSO-KYJSFNMBSA-N 2 2 288.435 3.078 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488413926 393503146 /nfs/dbraw/zinc/50/31/46/393503146.db2.gz DHBQWWSQRDYQRI-RRFJBIMHSA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488413926 393503148 /nfs/dbraw/zinc/50/31/48/393503148.db2.gz DHBQWWSQRDYQRI-RRFJBIMHSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962645 393504546 /nfs/dbraw/zinc/50/45/46/393504546.db2.gz GFFKLGNZHLORTF-OKZBNKHCSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962645 393504553 /nfs/dbraw/zinc/50/45/53/393504553.db2.gz GFFKLGNZHLORTF-OKZBNKHCSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065872 393516125 /nfs/dbraw/zinc/51/61/25/393516125.db2.gz JVFIPCMGTLCIEJ-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065872 393516128 /nfs/dbraw/zinc/51/61/28/393516128.db2.gz JVFIPCMGTLCIEJ-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065872 393516132 /nfs/dbraw/zinc/51/61/32/393516132.db2.gz JVFIPCMGTLCIEJ-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)[C@@H]2C1 ZINC000430065872 393516138 /nfs/dbraw/zinc/51/61/38/393516138.db2.gz JVFIPCMGTLCIEJ-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2C[C@H]2C)c(C)c1 ZINC000488447549 393516696 /nfs/dbraw/zinc/51/66/96/393516696.db2.gz JSMGEOSBIKCURN-KYJSFNMBSA-N 2 2 283.419 3.487 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000488447236 393517527 /nfs/dbraw/zinc/51/75/27/393517527.db2.gz ZVYNGDNFMMISMY-NJAFHUGGSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000488447236 393517531 /nfs/dbraw/zinc/51/75/31/393517531.db2.gz ZVYNGDNFMMISMY-NJAFHUGGSA-N 2 2 272.436 3.287 20 0 CGADLP CC(C)C1CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000488451896 393519427 /nfs/dbraw/zinc/51/94/27/393519427.db2.gz FYTLIVBQTVWQTA-UHFFFAOYSA-N 2 2 297.446 3.498 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488451779 393519470 /nfs/dbraw/zinc/51/94/70/393519470.db2.gz FNMZLUVYHSVBBF-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488451779 393519474 /nfs/dbraw/zinc/51/94/74/393519474.db2.gz FNMZLUVYHSVBBF-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000430104350 393523905 /nfs/dbraw/zinc/52/39/05/393523905.db2.gz NDSWAJFFXXDGBE-INIZCTEOSA-N 2 2 269.392 3.345 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000430104350 393523909 /nfs/dbraw/zinc/52/39/09/393523909.db2.gz NDSWAJFFXXDGBE-INIZCTEOSA-N 2 2 269.392 3.345 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115045 393525438 /nfs/dbraw/zinc/52/54/38/393525438.db2.gz UNZUTVHRHBLXLB-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115045 393525441 /nfs/dbraw/zinc/52/54/41/393525441.db2.gz UNZUTVHRHBLXLB-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115045 393525444 /nfs/dbraw/zinc/52/54/44/393525444.db2.gz UNZUTVHRHBLXLB-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115045 393525449 /nfs/dbraw/zinc/52/54/49/393525449.db2.gz UNZUTVHRHBLXLB-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000359007322 393533664 /nfs/dbraw/zinc/53/36/64/393533664.db2.gz ZQJYHBFPKGPCSS-JYJNAYRXSA-N 2 2 282.497 3.006 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)CO1 ZINC000649734783 393565077 /nfs/dbraw/zinc/56/50/77/393565077.db2.gz ALYRVSKGTGAYOX-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)CO1 ZINC000649734783 393565082 /nfs/dbraw/zinc/56/50/82/393565082.db2.gz ALYRVSKGTGAYOX-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000430546703 393573339 /nfs/dbraw/zinc/57/33/39/393573339.db2.gz SQOVMAATIOFHQT-RWMBFGLXSA-N 2 2 279.428 3.092 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000430546703 393573343 /nfs/dbraw/zinc/57/33/43/393573343.db2.gz SQOVMAATIOFHQT-RWMBFGLXSA-N 2 2 279.428 3.092 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430554925 393574811 /nfs/dbraw/zinc/57/48/11/393574811.db2.gz WKLRSLLUIUAFDD-UONOGXRCSA-N 2 2 295.496 3.291 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430554925 393574817 /nfs/dbraw/zinc/57/48/17/393574817.db2.gz WKLRSLLUIUAFDD-UONOGXRCSA-N 2 2 295.496 3.291 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430566565 393576675 /nfs/dbraw/zinc/57/66/75/393576675.db2.gz CKGHAQKAQCZKTP-YJBOKZPZSA-N 2 2 294.483 3.046 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768520 542814813 /nfs/dbraw/zinc/81/48/13/542814813.db2.gz IIEGPMIZOFUELZ-ZDUSSCGKSA-N 2 2 279.453 3.032 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)C1CCCCC1 ZINC000666801086 542817044 /nfs/dbraw/zinc/81/70/44/542817044.db2.gz MSWBZSGVSRFUBK-AWEZNQCLSA-N 2 2 293.480 3.019 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430604227 393580929 /nfs/dbraw/zinc/58/09/29/393580929.db2.gz PTBDHEGRFXEWIY-BLLLJJGKSA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430604227 393580935 /nfs/dbraw/zinc/58/09/35/393580935.db2.gz PTBDHEGRFXEWIY-BLLLJJGKSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000360887058 393607035 /nfs/dbraw/zinc/60/70/35/393607035.db2.gz VERYRQQZIMUPSK-LPHOPBHVSA-N 2 2 296.414 3.414 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000360887058 393607041 /nfs/dbraw/zinc/60/70/41/393607041.db2.gz VERYRQQZIMUPSK-LPHOPBHVSA-N 2 2 296.414 3.414 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(F)ccc1OC ZINC000361143608 393684891 /nfs/dbraw/zinc/68/48/91/393684891.db2.gz KZUCXYMTYMRPQP-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000360896603 393610584 /nfs/dbraw/zinc/61/05/84/393610584.db2.gz HQCBEZIDCRIMOI-PVAVHDDUSA-N 2 2 290.451 3.466 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000360896603 393610586 /nfs/dbraw/zinc/61/05/86/393610586.db2.gz HQCBEZIDCRIMOI-PVAVHDDUSA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000361136107 393681652 /nfs/dbraw/zinc/68/16/52/393681652.db2.gz LOTHUKBBCKTZTD-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422927167 393646032 /nfs/dbraw/zinc/64/60/32/393646032.db2.gz FVQWDQQWNWELRJ-ZNMIVQPWSA-N 2 2 276.449 3.344 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000423142882 393652023 /nfs/dbraw/zinc/65/20/23/393652023.db2.gz BNSQNEOIUMRINU-JQAFLVLXSA-N 2 2 280.362 3.072 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc(C)c1F ZINC000423571593 393672932 /nfs/dbraw/zinc/67/29/32/393672932.db2.gz XUQLUPJXXAAMCD-DZGCQCFKSA-N 2 2 264.388 3.235 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(F)ccc1OC ZINC000361143608 393684888 /nfs/dbraw/zinc/68/48/88/393684888.db2.gz KZUCXYMTYMRPQP-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CCOC1CC([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443217173 393749861 /nfs/dbraw/zinc/74/98/61/393749861.db2.gz RIGLYRGGVWCTAK-MMIPBJDJSA-N 2 2 290.451 3.143 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948203 542828010 /nfs/dbraw/zinc/82/80/10/542828010.db2.gz VOJYXVXVACDIPJ-DCAQKATOSA-N 2 2 290.835 3.012 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000491484417 393692830 /nfs/dbraw/zinc/69/28/30/393692830.db2.gz JXSQEOGKYWMTDM-DOTOQJQBSA-N 2 2 274.452 3.121 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000491484417 393692834 /nfs/dbraw/zinc/69/28/34/393692834.db2.gz JXSQEOGKYWMTDM-DOTOQJQBSA-N 2 2 274.452 3.121 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000444013343 393784209 /nfs/dbraw/zinc/78/42/09/393784209.db2.gz FAUNEKDFQDWNIK-UHFFFAOYSA-N 2 2 264.457 3.421 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000444013343 393784211 /nfs/dbraw/zinc/78/42/11/393784211.db2.gz FAUNEKDFQDWNIK-UHFFFAOYSA-N 2 2 264.457 3.421 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000502022054 393866114 /nfs/dbraw/zinc/86/61/14/393866114.db2.gz XYEUIKOEWZQSSW-LSDHHAIUSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C34CCC(CC3)CC4)n2c1 ZINC000449538297 393888918 /nfs/dbraw/zinc/88/89/18/393888918.db2.gz UEPYAQYPGWXOJD-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP Cc1nc(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)sc1C ZINC000667046448 542839318 /nfs/dbraw/zinc/83/93/18/542839318.db2.gz FPYFAWFNOWEEEQ-HNNXBMFYSA-N 2 2 295.496 3.313 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000667462599 542870687 /nfs/dbraw/zinc/87/06/87/542870687.db2.gz NMVSCCDJKPMCPK-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000667462599 542870690 /nfs/dbraw/zinc/87/06/90/542870690.db2.gz NMVSCCDJKPMCPK-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1C ZINC000667493405 542875441 /nfs/dbraw/zinc/87/54/41/542875441.db2.gz QQSNXEAIZUSCHA-MRXNPFEDSA-N 2 2 273.355 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1C ZINC000667493405 542875446 /nfs/dbraw/zinc/87/54/46/542875446.db2.gz QQSNXEAIZUSCHA-MRXNPFEDSA-N 2 2 273.355 3.205 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081889 394165235 /nfs/dbraw/zinc/16/52/35/394165235.db2.gz KKJFXAWRUJIWTC-CVEARBPZSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081889 394165236 /nfs/dbraw/zinc/16/52/36/394165236.db2.gz KKJFXAWRUJIWTC-CVEARBPZSA-N 2 2 296.480 3.146 20 0 CGADLP c1c(CC[NH2+][C@@H](C2CC2)C2CCCC2)[nH+]c2n1CCCC2 ZINC000453085600 394165973 /nfs/dbraw/zinc/16/59/73/394165973.db2.gz ORGQYSFRLDHLQK-GOSISDBHSA-N 2 2 287.451 3.320 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@H]1C[C@H](C)n2cc[nH+]c21)CC(C)C ZINC000453098986 394170453 /nfs/dbraw/zinc/17/04/53/394170453.db2.gz XKBKILRAGUMXLJ-JYJNAYRXSA-N 2 2 292.471 3.235 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453192885 394201037 /nfs/dbraw/zinc/20/10/37/394201037.db2.gz GZKPLUVJCRRODI-KRWDZBQOSA-N 2 2 287.451 3.034 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453192885 394201043 /nfs/dbraw/zinc/20/10/43/394201043.db2.gz GZKPLUVJCRRODI-KRWDZBQOSA-N 2 2 287.451 3.034 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453380428 394225753 /nfs/dbraw/zinc/22/57/53/394225753.db2.gz AUHJTZDUFKYMHB-GJZGRUSLSA-N 2 2 270.436 3.369 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453380428 394225760 /nfs/dbraw/zinc/22/57/60/394225760.db2.gz AUHJTZDUFKYMHB-GJZGRUSLSA-N 2 2 270.436 3.369 20 0 CGADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453451692 394246688 /nfs/dbraw/zinc/24/66/88/394246688.db2.gz RQBGWYXDVWNJSX-WMZOPIPTSA-N 2 2 287.451 3.465 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503286 542880119 /nfs/dbraw/zinc/88/01/19/542880119.db2.gz HGXNOERRBJWFJU-MRXNPFEDSA-N 2 2 285.366 3.306 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503286 542880122 /nfs/dbraw/zinc/88/01/22/542880122.db2.gz HGXNOERRBJWFJU-MRXNPFEDSA-N 2 2 285.366 3.306 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000667543330 542886858 /nfs/dbraw/zinc/88/68/58/542886858.db2.gz XJQDOWFUNSFNGH-MRXNPFEDSA-N 2 2 287.382 3.075 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658674 542909935 /nfs/dbraw/zinc/90/99/35/542909935.db2.gz NARKWVZQBOTWMM-DZGCQCFKSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658674 542909937 /nfs/dbraw/zinc/90/99/37/542909937.db2.gz NARKWVZQBOTWMM-DZGCQCFKSA-N 2 2 299.393 3.346 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097034 542969341 /nfs/dbraw/zinc/96/93/41/542969341.db2.gz WTRNXCAAESSRJK-CYBMUJFWSA-N 2 2 261.413 3.087 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000668169013 542979255 /nfs/dbraw/zinc/97/92/55/542979255.db2.gz GBUMFOPIWDUHIP-CYBMUJFWSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000668169013 542979260 /nfs/dbraw/zinc/97/92/60/542979260.db2.gz GBUMFOPIWDUHIP-CYBMUJFWSA-N 2 2 298.415 3.019 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc21 ZINC000668172987 542980247 /nfs/dbraw/zinc/98/02/47/542980247.db2.gz YULPCONRDQVFNS-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc21 ZINC000668172987 542980249 /nfs/dbraw/zinc/98/02/49/542980249.db2.gz YULPCONRDQVFNS-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc21 ZINC000668172987 542980252 /nfs/dbraw/zinc/98/02/52/542980252.db2.gz YULPCONRDQVFNS-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc21 ZINC000668172987 542980254 /nfs/dbraw/zinc/98/02/54/542980254.db2.gz YULPCONRDQVFNS-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)n1C ZINC000668174296 542981621 /nfs/dbraw/zinc/98/16/21/542981621.db2.gz JNZLYPGIASGSAY-GXTWGEPZSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)n1C ZINC000668174296 542981624 /nfs/dbraw/zinc/98/16/24/542981624.db2.gz JNZLYPGIASGSAY-GXTWGEPZSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000668241163 542997430 /nfs/dbraw/zinc/99/74/30/542997430.db2.gz CXGMUISPPBOGIK-CABCVRRESA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000668241163 542997431 /nfs/dbraw/zinc/99/74/31/542997431.db2.gz CXGMUISPPBOGIK-CABCVRRESA-N 2 2 263.429 3.375 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928718 543134568 /nfs/dbraw/zinc/13/45/68/543134568.db2.gz LWHKMIUNQRGWET-HZPDHXFCSA-N 2 2 289.423 3.012 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928718 543134569 /nfs/dbraw/zinc/13/45/69/543134569.db2.gz LWHKMIUNQRGWET-HZPDHXFCSA-N 2 2 289.423 3.012 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)C(C)(C)C ZINC000670265674 543148109 /nfs/dbraw/zinc/14/81/09/543148109.db2.gz QJYHOROLENFKOI-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)C(C)(C)C ZINC000670265674 543148110 /nfs/dbraw/zinc/14/81/10/543148110.db2.gz QJYHOROLENFKOI-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)C(C)(C)C ZINC000670265674 543148112 /nfs/dbraw/zinc/14/81/12/543148112.db2.gz QJYHOROLENFKOI-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)C(C)(C)C ZINC000670265674 543148114 /nfs/dbraw/zinc/14/81/14/543148114.db2.gz QJYHOROLENFKOI-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1cccc(C)c1 ZINC000671750227 543186049 /nfs/dbraw/zinc/18/60/49/543186049.db2.gz KXRYXRZUSBLIDF-SFHVURJKSA-N 2 2 290.451 3.147 20 0 CGADLP CCc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000672271369 543206397 /nfs/dbraw/zinc/20/63/97/543206397.db2.gz WREUDRGIZDQICA-DYVFJYSZSA-N 2 2 284.407 3.142 20 0 CGADLP CC[C@H]([NH2+]CC[NH+](C)C)c1cccc2ccccc21 ZINC000672616574 543220484 /nfs/dbraw/zinc/22/04/84/543220484.db2.gz NDQCWYWUKDNMKD-KRWDZBQOSA-N 2 2 256.393 3.442 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000037917662 397609951 /nfs/dbraw/zinc/60/99/51/397609951.db2.gz XTYJCRBIIPQGFJ-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000037917662 397609953 /nfs/dbraw/zinc/60/99/53/397609953.db2.gz XTYJCRBIIPQGFJ-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP CC[C@@H](OCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742175 397904920 /nfs/dbraw/zinc/90/49/20/397904920.db2.gz SINOBCWFLJOGTE-CGTJXYLNSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763633 543361844 /nfs/dbraw/zinc/36/18/44/543361844.db2.gz SVMSVUXDQWZMIV-JXFKEZNVSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763633 543361846 /nfs/dbraw/zinc/36/18/46/543361846.db2.gz SVMSVUXDQWZMIV-JXFKEZNVSA-N 2 2 294.442 3.436 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000675766610 543362590 /nfs/dbraw/zinc/36/25/90/543362590.db2.gz MIHPOMFPLHNAEM-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000675766610 543362592 /nfs/dbraw/zinc/36/25/92/543362592.db2.gz MIHPOMFPLHNAEM-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)[NH+](C)C ZINC000675728554 543357838 /nfs/dbraw/zinc/35/78/38/543357838.db2.gz JINAZUMKRNEPKA-HOTGVXAUSA-N 2 2 274.452 3.427 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000675731669 543358367 /nfs/dbraw/zinc/35/83/67/543358367.db2.gz NBDVWVQKZWDNLS-OAHLLOKOSA-N 2 2 264.800 3.013 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC2CCC2)CC1 ZINC000675833405 543368685 /nfs/dbraw/zinc/36/86/85/543368685.db2.gz PYRADFJRXKTXGA-AWEZNQCLSA-N 2 2 282.472 3.044 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675834711 543368699 /nfs/dbraw/zinc/36/86/99/543368699.db2.gz YPFYLESXCFTHNV-KDOFPFPSSA-N 2 2 272.436 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675834711 543368702 /nfs/dbraw/zinc/36/87/02/543368702.db2.gz YPFYLESXCFTHNV-KDOFPFPSSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712532 543411261 /nfs/dbraw/zinc/41/12/61/543411261.db2.gz NABHFNRIVMNURY-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712532 543411263 /nfs/dbraw/zinc/41/12/63/543411263.db2.gz NABHFNRIVMNURY-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712532 543411265 /nfs/dbraw/zinc/41/12/65/543411265.db2.gz NABHFNRIVMNURY-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712532 543411266 /nfs/dbraw/zinc/41/12/66/543411266.db2.gz NABHFNRIVMNURY-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000677127556 543434107 /nfs/dbraw/zinc/43/41/07/543434107.db2.gz MWNGPNIAFVQVET-QSOAKEGCSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000677127556 543434109 /nfs/dbraw/zinc/43/41/09/543434109.db2.gz MWNGPNIAFVQVET-QSOAKEGCSA-N 2 2 278.827 3.427 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1C ZINC000678223571 543495838 /nfs/dbraw/zinc/49/58/38/543495838.db2.gz VGEMLSRXDGGHMP-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1C ZINC000678223571 543495840 /nfs/dbraw/zinc/49/58/40/543495840.db2.gz VGEMLSRXDGGHMP-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000678590877 543538978 /nfs/dbraw/zinc/53/89/78/543538978.db2.gz LJUYXPBYMZUAEI-HZPDHXFCSA-N 2 2 292.854 3.487 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000678590877 543538983 /nfs/dbraw/zinc/53/89/83/543538983.db2.gz LJUYXPBYMZUAEI-HZPDHXFCSA-N 2 2 292.854 3.487 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000678602257 543541901 /nfs/dbraw/zinc/54/19/01/543541901.db2.gz BQIRVMNFUXGRHS-GOEBONIOSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000678602257 543541903 /nfs/dbraw/zinc/54/19/03/543541903.db2.gz BQIRVMNFUXGRHS-GOEBONIOSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2COc3c2ccc(C)c3C)CC1 ZINC000678773891 543556729 /nfs/dbraw/zinc/55/67/29/543556729.db2.gz UVXIZIQDSLIFGE-KRWDZBQOSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368101790 292206039 /nfs/dbraw/zinc/20/60/39/292206039.db2.gz LMWLUVDPGUROGR-MAUKXSAKSA-N 2 2 281.403 3.316 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368101790 292206041 /nfs/dbraw/zinc/20/60/41/292206041.db2.gz LMWLUVDPGUROGR-MAUKXSAKSA-N 2 2 281.403 3.316 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423212218 292205659 /nfs/dbraw/zinc/20/56/59/292205659.db2.gz JLBJTPIFDOAARC-IRXDYDNUSA-N 2 2 258.409 3.178 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872096 292338391 /nfs/dbraw/zinc/33/83/91/292338391.db2.gz WVMXXKCEYIDWID-GOEBONIOSA-N 2 2 297.402 3.010 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422874709 286581198 /nfs/dbraw/zinc/58/11/98/286581198.db2.gz AQMRHWAGAXIOBN-FVQBIDKESA-N 2 2 276.424 3.267 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)CC2 ZINC000346802734 292368806 /nfs/dbraw/zinc/36/88/06/292368806.db2.gz UQFBQRLIHDIXLD-IAOVAPTHSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)CC2 ZINC000346802734 292368807 /nfs/dbraw/zinc/36/88/07/292368807.db2.gz UQFBQRLIHDIXLD-IAOVAPTHSA-N 2 2 258.409 3.055 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917209 286929060 /nfs/dbraw/zinc/92/90/60/286929060.db2.gz FNZDPOBWNLXIRW-KMUNFCNLSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000186927596 287032439 /nfs/dbraw/zinc/03/24/39/287032439.db2.gz IGEZACNTAXMQDY-PBHICJAKSA-N 2 2 292.492 3.411 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC000072859126 165073643 /nfs/dbraw/zinc/07/36/43/165073643.db2.gz TXWAPUNXBJCZEY-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC000072859126 165073645 /nfs/dbraw/zinc/07/36/45/165073645.db2.gz TXWAPUNXBJCZEY-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000072859126 165073648 /nfs/dbraw/zinc/07/36/48/165073648.db2.gz TXWAPUNXBJCZEY-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000072859126 165073651 /nfs/dbraw/zinc/07/36/51/165073651.db2.gz TXWAPUNXBJCZEY-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000086252200 165179688 /nfs/dbraw/zinc/17/96/88/165179688.db2.gz VXUXDFLXIRPETA-GOSISDBHSA-N 2 2 283.419 3.159 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000086252200 165179693 /nfs/dbraw/zinc/17/96/93/165179693.db2.gz VXUXDFLXIRPETA-GOSISDBHSA-N 2 2 283.419 3.159 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000086507799 165183961 /nfs/dbraw/zinc/18/39/61/165183961.db2.gz KSCRBOIENQILRW-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000086507799 165183968 /nfs/dbraw/zinc/18/39/68/165183968.db2.gz KSCRBOIENQILRW-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)c(Br)c1 ZINC000088750682 165194720 /nfs/dbraw/zinc/19/47/20/165194720.db2.gz KGBARAJUEHXUGI-MRVPVSSYSA-N 2 2 298.159 3.162 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090804111 165243010 /nfs/dbraw/zinc/24/30/10/165243010.db2.gz KJCNSKAZLLZMCN-KOLCDFICSA-N 2 2 273.302 3.030 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091960119 165277587 /nfs/dbraw/zinc/27/75/87/165277587.db2.gz CGNHUQDGQJUQLA-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091960119 165277589 /nfs/dbraw/zinc/27/75/89/165277589.db2.gz CGNHUQDGQJUQLA-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)CC(C)(C)C[NH3+] ZINC000093861188 165339996 /nfs/dbraw/zinc/33/99/96/165339996.db2.gz FBQISUREQDFQQH-UHFFFAOYSA-N 2 2 275.223 3.410 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)CC(C)(C)C[NH3+] ZINC000093861188 165339998 /nfs/dbraw/zinc/33/99/98/165339998.db2.gz FBQISUREQDFQQH-UHFFFAOYSA-N 2 2 275.223 3.410 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000092165725 165284041 /nfs/dbraw/zinc/28/40/41/165284041.db2.gz CEXKSROBOJDJLI-UHFFFAOYSA-N 2 2 292.471 3.013 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000092165725 165284042 /nfs/dbraw/zinc/28/40/42/165284042.db2.gz CEXKSROBOJDJLI-UHFFFAOYSA-N 2 2 292.471 3.013 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cccnc1 ZINC000092720234 165308880 /nfs/dbraw/zinc/30/88/80/165308880.db2.gz RIOLCITXBZESPH-AWEZNQCLSA-N 2 2 294.402 3.481 20 0 CGADLP C[C@H](c1ccccc1Br)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873166 165338787 /nfs/dbraw/zinc/33/87/87/165338787.db2.gz GYQCFARDBOGMKK-LLVKDONJSA-N 2 2 299.256 3.427 20 0 CGADLP C[C@H](c1ccccc1Br)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873166 165338788 /nfs/dbraw/zinc/33/87/88/165338788.db2.gz GYQCFARDBOGMKK-LLVKDONJSA-N 2 2 299.256 3.427 20 0 CGADLP C[N@H+](Cc1csc(-c2ccsc2)n1)CC(C)(C)C[NH3+] ZINC000093874055 165339325 /nfs/dbraw/zinc/33/93/25/165339325.db2.gz UFQSTSMVXMVEBZ-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP C[N@@H+](Cc1csc(-c2ccsc2)n1)CC(C)(C)C[NH3+] ZINC000093874055 165339326 /nfs/dbraw/zinc/33/93/26/165339326.db2.gz UFQSTSMVXMVEBZ-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC000118992094 287163523 /nfs/dbraw/zinc/16/35/23/287163523.db2.gz UFLRECKCACAYBJ-DLBZAZTESA-N 2 2 260.425 3.376 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1c(C)noc1C ZINC000119117778 287165237 /nfs/dbraw/zinc/16/52/37/287165237.db2.gz KVLJVTFPIGXQMO-OAHLLOKOSA-N 2 2 279.428 3.208 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000122298831 287208491 /nfs/dbraw/zinc/20/84/91/287208491.db2.gz RXOANEBSFVWXOA-DGCLKSJQSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000122298831 287208493 /nfs/dbraw/zinc/20/84/93/287208493.db2.gz RXOANEBSFVWXOA-DGCLKSJQSA-N 2 2 298.352 3.420 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000125072471 287239615 /nfs/dbraw/zinc/23/96/15/287239615.db2.gz FWDNBIRVWZMNFV-UHFFFAOYSA-N 2 2 272.795 3.157 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000020126815 171011038 /nfs/dbraw/zinc/01/10/38/171011038.db2.gz NXPFFRCPBZLVSD-LBPRGKRZSA-N 2 2 252.789 3.086 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1Cl ZINC000020128999 171016503 /nfs/dbraw/zinc/01/65/03/171016503.db2.gz FSEDNTJSGONIPU-CYBMUJFWSA-N 2 2 266.816 3.477 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000020506157 171228356 /nfs/dbraw/zinc/22/83/56/171228356.db2.gz HEPHCSLLORLWEP-LBPRGKRZSA-N 2 2 263.772 3.277 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000020827696 171274754 /nfs/dbraw/zinc/27/47/54/171274754.db2.gz QDCITUULNXOMRM-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000021500353 171305028 /nfs/dbraw/zinc/30/50/28/171305028.db2.gz YEJWVQIMAVGQKV-UHFFFAOYSA-N 2 2 284.806 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000126632855 287269263 /nfs/dbraw/zinc/26/92/63/287269263.db2.gz BGKFBXRNDFJFHC-QGZVFWFLSA-N 2 2 269.392 3.249 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037213920 173034854 /nfs/dbraw/zinc/03/48/54/173034854.db2.gz HRRWYGIRLRYLBF-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037213920 173034856 /nfs/dbraw/zinc/03/48/56/173034856.db2.gz HRRWYGIRLRYLBF-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037319612 173120440 /nfs/dbraw/zinc/12/04/40/173120440.db2.gz UINYXOKZKUHWAI-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000038028877 174018482 /nfs/dbraw/zinc/01/84/82/174018482.db2.gz LOIGMKPIXWMIDB-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000038098027 174112893 /nfs/dbraw/zinc/11/28/93/174112893.db2.gz UAUFBTZHQIVBGW-GFCCVEGCSA-N 2 2 250.386 3.031 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043325739 175007761 /nfs/dbraw/zinc/00/77/61/175007761.db2.gz YCFVQNWTSXVRSH-ZIAGYGMSSA-N 2 2 252.789 3.133 20 0 CGADLP COc1cccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)c1 ZINC000043561400 175066360 /nfs/dbraw/zinc/06/63/60/175066360.db2.gz OLMFKSOIDZVZDE-MRXNPFEDSA-N 2 2 285.391 3.113 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000128608677 287314785 /nfs/dbraw/zinc/31/47/85/287314785.db2.gz RGHYYTTUYCFZEV-DYEKYZERSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000128608677 287314788 /nfs/dbraw/zinc/31/47/88/287314788.db2.gz RGHYYTTUYCFZEV-DYEKYZERSA-N 2 2 292.398 3.110 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000404376962 416552304 /nfs/dbraw/zinc/55/23/04/416552304.db2.gz SNSIANNDDLQHBX-TZMCWYRMSA-N 2 2 281.469 3.045 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000404376962 416552311 /nfs/dbraw/zinc/55/23/11/416552311.db2.gz SNSIANNDDLQHBX-TZMCWYRMSA-N 2 2 281.469 3.045 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000122348216 416504735 /nfs/dbraw/zinc/50/47/35/416504735.db2.gz JMUGBYFWLLWUOG-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000122348216 416504737 /nfs/dbraw/zinc/50/47/37/416504737.db2.gz JMUGBYFWLLWUOG-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP Fc1ccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000679281606 543611909 /nfs/dbraw/zinc/61/19/09/543611909.db2.gz LDNVCTSJLYGQMS-UHFFFAOYSA-N 2 2 284.338 3.463 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000679345753 543623790 /nfs/dbraw/zinc/62/37/90/543623790.db2.gz PFJZODVHRFSMLE-LSDHHAIUSA-N 2 2 287.407 3.074 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818047 543662852 /nfs/dbraw/zinc/66/28/52/543662852.db2.gz RELBQETTZWMWFD-VQIMIIECSA-N 2 2 295.430 3.325 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818047 543662854 /nfs/dbraw/zinc/66/28/54/543662854.db2.gz RELBQETTZWMWFD-VQIMIIECSA-N 2 2 295.430 3.325 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133758 543827472 /nfs/dbraw/zinc/82/74/72/543827472.db2.gz QAOKYDGWWVTHRF-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133758 543827475 /nfs/dbraw/zinc/82/74/75/543827475.db2.gz QAOKYDGWWVTHRF-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP C1CCC([N@@H+]2CC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)C1 ZINC000682642022 543856073 /nfs/dbraw/zinc/85/60/73/543856073.db2.gz JPNMNIOLBFGBES-PQUAAJSLSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC([N@H+]2CC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)C1 ZINC000682642022 543856075 /nfs/dbraw/zinc/85/60/75/543856075.db2.gz JPNMNIOLBFGBES-PQUAAJSLSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734149 543863881 /nfs/dbraw/zinc/86/38/81/543863881.db2.gz YSEUIBNMJBFQKA-OLZOCXBDSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734149 543863882 /nfs/dbraw/zinc/86/38/82/543863882.db2.gz YSEUIBNMJBFQKA-OLZOCXBDSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733665 543863276 /nfs/dbraw/zinc/86/32/76/543863276.db2.gz ZQQMIQRZLWSXQZ-SWLSCSKDSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733665 543863278 /nfs/dbraw/zinc/86/32/78/543863278.db2.gz ZQQMIQRZLWSXQZ-SWLSCSKDSA-N 2 2 286.410 3.274 20 0 CGADLP c1cn(CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000131840723 287390750 /nfs/dbraw/zinc/39/07/50/287390750.db2.gz DNBPWEDULJAPLG-QGZVFWFLSA-N 2 2 267.376 3.035 20 0 CGADLP c1cn(CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000131840723 287390751 /nfs/dbraw/zinc/39/07/51/287390751.db2.gz DNBPWEDULJAPLG-QGZVFWFLSA-N 2 2 267.376 3.035 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000684022237 543961241 /nfs/dbraw/zinc/96/12/41/543961241.db2.gz ICWGVFTUWDXVKU-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000684022237 543961243 /nfs/dbraw/zinc/96/12/43/543961243.db2.gz ICWGVFTUWDXVKU-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684677405 544025604 /nfs/dbraw/zinc/02/56/04/544025604.db2.gz XZMUFWMYZJOKHX-SVGFKBNWSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684677405 544025606 /nfs/dbraw/zinc/02/56/06/544025606.db2.gz XZMUFWMYZJOKHX-SVGFKBNWSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000684361379 543984717 /nfs/dbraw/zinc/98/47/17/543984717.db2.gz CQSDVFGSAZVJCN-YJBOKZPZSA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000684361379 543984719 /nfs/dbraw/zinc/98/47/19/543984719.db2.gz CQSDVFGSAZVJCN-YJBOKZPZSA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000684361376 543985032 /nfs/dbraw/zinc/98/50/32/543985032.db2.gz CQSDVFGSAZVJCN-CRAIPNDOSA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000684361376 543985034 /nfs/dbraw/zinc/98/50/34/543985034.db2.gz CQSDVFGSAZVJCN-CRAIPNDOSA-N 2 2 298.434 3.102 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000685470833 544078385 /nfs/dbraw/zinc/07/83/85/544078385.db2.gz VAJGRVJSADHCME-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000685470833 544078386 /nfs/dbraw/zinc/07/83/86/544078386.db2.gz VAJGRVJSADHCME-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000685470833 544078388 /nfs/dbraw/zinc/07/83/88/544078388.db2.gz VAJGRVJSADHCME-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000685470833 544078389 /nfs/dbraw/zinc/07/83/89/544078389.db2.gz VAJGRVJSADHCME-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000685615802 544089012 /nfs/dbraw/zinc/08/90/12/544089012.db2.gz VFCLLNSWLGZHLS-JQFCIGGWSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000685615802 544089014 /nfs/dbraw/zinc/08/90/14/544089014.db2.gz VFCLLNSWLGZHLS-JQFCIGGWSA-N 2 2 262.441 3.053 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685663999 544094030 /nfs/dbraw/zinc/09/40/30/544094030.db2.gz MBKJKRRPZSWWGF-BFYDXBDKSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685663999 544094032 /nfs/dbraw/zinc/09/40/32/544094032.db2.gz MBKJKRRPZSWWGF-BFYDXBDKSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089668 227389081 /nfs/dbraw/zinc/38/90/81/227389081.db2.gz ROYIQPLSNLLTHA-RDBSUJKOSA-N 2 2 257.381 3.201 20 0 CGADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089668 227389086 /nfs/dbraw/zinc/38/90/86/227389086.db2.gz ROYIQPLSNLLTHA-RDBSUJKOSA-N 2 2 257.381 3.201 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000664403999 418952487 /nfs/dbraw/zinc/95/24/87/418952487.db2.gz TZVRUZNGWKOORG-HNNXBMFYSA-N 2 2 288.439 3.221 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000664403999 418952489 /nfs/dbraw/zinc/95/24/89/418952489.db2.gz TZVRUZNGWKOORG-HNNXBMFYSA-N 2 2 288.439 3.221 20 0 CGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523002 419042036 /nfs/dbraw/zinc/04/20/36/419042036.db2.gz YYOREAQNVMHYOO-CVEARBPZSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523002 419042040 /nfs/dbraw/zinc/04/20/40/419042040.db2.gz YYOREAQNVMHYOO-CVEARBPZSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523002 419042042 /nfs/dbraw/zinc/04/20/42/419042042.db2.gz YYOREAQNVMHYOO-CVEARBPZSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccc(C)o1 ZINC000653523002 419042046 /nfs/dbraw/zinc/04/20/46/419042046.db2.gz YYOREAQNVMHYOO-CVEARBPZSA-N 2 2 296.455 3.064 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659974973 419049400 /nfs/dbraw/zinc/04/94/00/419049400.db2.gz SLOYYGZFDVBDPT-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659974973 419049403 /nfs/dbraw/zinc/04/94/03/419049403.db2.gz SLOYYGZFDVBDPT-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659974973 419049407 /nfs/dbraw/zinc/04/94/07/419049407.db2.gz SLOYYGZFDVBDPT-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659974973 419049409 /nfs/dbraw/zinc/04/94/09/419049409.db2.gz SLOYYGZFDVBDPT-QKPAOTATSA-N 2 2 252.446 3.085 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827755 419011063 /nfs/dbraw/zinc/01/10/63/419011063.db2.gz QAQLDKNLLCVISH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827755 419011064 /nfs/dbraw/zinc/01/10/64/419011064.db2.gz QAQLDKNLLCVISH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827755 419011068 /nfs/dbraw/zinc/01/10/68/419011068.db2.gz QAQLDKNLLCVISH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827755 419011071 /nfs/dbraw/zinc/01/10/71/419011071.db2.gz QAQLDKNLLCVISH-DLBZAZTESA-N 2 2 287.451 3.339 20 0 CGADLP CN(Cc1[nH]cc[nH+]1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000660141659 419087046 /nfs/dbraw/zinc/08/70/46/419087046.db2.gz HKIILGGHOSELEK-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000655774858 419094541 /nfs/dbraw/zinc/09/45/41/419094541.db2.gz KJINZIYTWOVOHW-HPFXQQBRSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cc2c1 ZINC000665262060 419094852 /nfs/dbraw/zinc/09/48/52/419094852.db2.gz SEBZOTOYYUOECN-CZUORRHYSA-N 2 2 272.392 3.361 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277671 419099471 /nfs/dbraw/zinc/09/94/71/419099471.db2.gz HWUYLRHUOOPYDK-IQYSWEBNSA-N 2 2 294.851 3.219 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653873862 419099816 /nfs/dbraw/zinc/09/98/16/419099816.db2.gz XBCPBHCWFOOTMM-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653873862 419099819 /nfs/dbraw/zinc/09/98/19/419099819.db2.gz XBCPBHCWFOOTMM-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000665296314 419108791 /nfs/dbraw/zinc/10/87/91/419108791.db2.gz QIBCFYPFSSQIEG-JQWIXIFHSA-N 2 2 276.380 3.008 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000665296279 419108876 /nfs/dbraw/zinc/10/88/76/419108876.db2.gz PUOPDVJXJRWYRU-RISCZKNCSA-N 2 2 282.815 3.060 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000665294528 419108937 /nfs/dbraw/zinc/10/89/37/419108937.db2.gz QLDIBYGOOLIVFP-SKDRFNHKSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000665296825 419111092 /nfs/dbraw/zinc/11/10/92/419111092.db2.gz YIQDCIMMSQXDFM-XHDPSFHLSA-N 2 2 250.386 3.017 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848170 419118677 /nfs/dbraw/zinc/11/86/77/419118677.db2.gz GLVFTXIGCVMXEB-SQNIBIBYSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848170 419118679 /nfs/dbraw/zinc/11/86/79/419118679.db2.gz GLVFTXIGCVMXEB-SQNIBIBYSA-N 2 2 288.410 3.420 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849021 419120070 /nfs/dbraw/zinc/12/00/70/419120070.db2.gz OPLLEGLLDGMRLY-HRCADAONSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849021 419120072 /nfs/dbraw/zinc/12/00/72/419120072.db2.gz OPLLEGLLDGMRLY-HRCADAONSA-N 2 2 262.441 3.316 20 0 CGADLP CC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655850885 419120992 /nfs/dbraw/zinc/12/09/92/419120992.db2.gz ZMSKFDLIEDAAQV-QDIHITRGSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850885 419120994 /nfs/dbraw/zinc/12/09/94/419120994.db2.gz ZMSKFDLIEDAAQV-QDIHITRGSA-N 2 2 250.430 3.172 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000655856351 419122603 /nfs/dbraw/zinc/12/26/03/419122603.db2.gz MXXYNUKWELOZEO-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000655856351 419122606 /nfs/dbraw/zinc/12/26/06/419122606.db2.gz MXXYNUKWELOZEO-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)[nH]1 ZINC000660076060 419071153 /nfs/dbraw/zinc/07/11/53/419071153.db2.gz FMXFVBFXMVIOQS-TUVASFSCSA-N 2 2 259.397 3.025 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)[nH]1 ZINC000660076060 419071156 /nfs/dbraw/zinc/07/11/56/419071156.db2.gz FMXFVBFXMVIOQS-TUVASFSCSA-N 2 2 259.397 3.025 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000656199766 419148171 /nfs/dbraw/zinc/14/81/71/419148171.db2.gz CGRNGTYQDQFWRC-YJBOKZPZSA-N 2 2 298.430 3.052 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000660472245 419150850 /nfs/dbraw/zinc/15/08/50/419150850.db2.gz CPAFLROACSIDKI-GOSISDBHSA-N 2 2 292.467 3.064 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000660472245 419150853 /nfs/dbraw/zinc/15/08/53/419150853.db2.gz CPAFLROACSIDKI-GOSISDBHSA-N 2 2 292.467 3.064 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)n1C ZINC000656279353 419164426 /nfs/dbraw/zinc/16/44/26/419164426.db2.gz RTHAQZBTZDKLAF-HNNXBMFYSA-N 2 2 290.455 3.031 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2CC2CCCC2)n1C ZINC000656279353 419164428 /nfs/dbraw/zinc/16/44/28/419164428.db2.gz RTHAQZBTZDKLAF-HNNXBMFYSA-N 2 2 290.455 3.031 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000656279624 419164526 /nfs/dbraw/zinc/16/45/26/419164526.db2.gz YGOMJTYTNFOWFE-IRXDYDNUSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000656279624 419164529 /nfs/dbraw/zinc/16/45/29/419164529.db2.gz YGOMJTYTNFOWFE-IRXDYDNUSA-N 2 2 288.435 3.116 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000656278279 419165543 /nfs/dbraw/zinc/16/55/43/419165543.db2.gz QMGKYFSZOUCUQA-OALUTQOASA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000656278279 419165546 /nfs/dbraw/zinc/16/55/46/419165546.db2.gz QMGKYFSZOUCUQA-OALUTQOASA-N 2 2 284.447 3.008 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654534 419176241 /nfs/dbraw/zinc/17/62/41/419176241.db2.gz GXHWIBVUGYYDQP-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654534 419176245 /nfs/dbraw/zinc/17/62/45/419176245.db2.gz GXHWIBVUGYYDQP-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654534 419176247 /nfs/dbraw/zinc/17/62/47/419176247.db2.gz GXHWIBVUGYYDQP-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654534 419176250 /nfs/dbraw/zinc/17/62/50/419176250.db2.gz GXHWIBVUGYYDQP-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)s1)C2 ZINC000660656010 419176263 /nfs/dbraw/zinc/17/62/63/419176263.db2.gz PAUDGVGNDXNHRL-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)s1)C2 ZINC000660656010 419176264 /nfs/dbraw/zinc/17/62/64/419176264.db2.gz PAUDGVGNDXNHRL-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000660656010 419176267 /nfs/dbraw/zinc/17/62/67/419176267.db2.gz PAUDGVGNDXNHRL-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000660656010 419176269 /nfs/dbraw/zinc/17/62/69/419176269.db2.gz PAUDGVGNDXNHRL-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)n1C ZINC000657288378 419243055 /nfs/dbraw/zinc/24/30/55/419243055.db2.gz AAMYNOZYJQIFAJ-UHFFFAOYSA-N 2 2 297.324 3.080 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CO[C@H](CC)C2)[NH+](C)C)cc1 ZINC000657287335 419243186 /nfs/dbraw/zinc/24/31/86/419243186.db2.gz YFCCFMVSRDFGAQ-KURKYZTESA-N 2 2 290.451 3.009 20 0 CGADLP Cc1ccc([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)cc1 ZINC000657304382 419246641 /nfs/dbraw/zinc/24/66/41/419246641.db2.gz GPRCYOWFFNEUFF-GOSISDBHSA-N 2 2 281.403 3.379 20 0 CGADLP C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361866 419259331 /nfs/dbraw/zinc/25/93/31/419259331.db2.gz SXOHCEWKYHBLSF-UONOGXRCSA-N 2 2 261.413 3.135 20 0 CGADLP C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661464289 419263431 /nfs/dbraw/zinc/26/34/31/419263431.db2.gz BDJUKUWCXNMITR-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661464289 419263433 /nfs/dbraw/zinc/26/34/33/419263433.db2.gz BDJUKUWCXNMITR-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000656777999 419215978 /nfs/dbraw/zinc/21/59/78/419215978.db2.gz KOFIXKVUOMYOEE-UHFFFAOYSA-N 2 2 266.348 3.212 20 0 CGADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789373 419220920 /nfs/dbraw/zinc/22/09/20/419220920.db2.gz WXURCGOSRCVKFF-HZPDHXFCSA-N 2 2 286.444 3.292 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000656788950 419220949 /nfs/dbraw/zinc/22/09/49/419220949.db2.gz KGSSUZMWAFASGP-QZTJIDSGSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1cc(NCc2c[nH+]c3ccccn23)ccc1C[NH+](C)C ZINC000657238649 419235098 /nfs/dbraw/zinc/23/50/98/419235098.db2.gz GDNJGLRHABJYJM-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)n1C ZINC000657455158 419282702 /nfs/dbraw/zinc/28/27/02/419282702.db2.gz QBIXBAUHFNBZGT-IAGOWNOFSA-N 2 2 293.455 3.192 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524724 419297004 /nfs/dbraw/zinc/29/70/04/419297004.db2.gz QHGMOLUQEFXIQD-HNNXBMFYSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564378 419306772 /nfs/dbraw/zinc/30/67/72/419306772.db2.gz UPWQXJIEMLQADS-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564378 419306774 /nfs/dbraw/zinc/30/67/74/419306774.db2.gz UPWQXJIEMLQADS-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000657627065 419316262 /nfs/dbraw/zinc/31/62/62/419316262.db2.gz UOCBQPSOPYJBQL-WBVHZDCISA-N 2 2 272.436 3.061 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000657627065 419316264 /nfs/dbraw/zinc/31/62/64/419316264.db2.gz UOCBQPSOPYJBQL-WBVHZDCISA-N 2 2 272.436 3.061 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000657742657 419335647 /nfs/dbraw/zinc/33/56/47/419335647.db2.gz WZTQYWKQRGQZJD-CZUORRHYSA-N 2 2 264.388 3.003 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000657742657 419335649 /nfs/dbraw/zinc/33/56/49/419335649.db2.gz WZTQYWKQRGQZJD-CZUORRHYSA-N 2 2 264.388 3.003 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC3=CCCC3)c2)c[nH+]1 ZINC000657749756 419337061 /nfs/dbraw/zinc/33/70/61/419337061.db2.gz LYHUGONQDPHRHN-UHFFFAOYSA-N 2 2 259.378 3.134 20 0 CGADLP CC([NH2+]Cc1cccc2[nH+]ccn21)(C1CC1)C1CC1 ZINC000657755654 419338090 /nfs/dbraw/zinc/33/80/90/419338090.db2.gz LQOBPSFBPOTOPD-UHFFFAOYSA-N 2 2 255.365 3.003 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCCSCC2)[nH+]c1 ZINC000657867318 419393944 /nfs/dbraw/zinc/39/39/44/419393944.db2.gz FWBASTFLHRPNRX-AWEZNQCLSA-N 2 2 279.453 3.149 20 0 CGADLP CCOC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000657869190 419395492 /nfs/dbraw/zinc/39/54/92/419395492.db2.gz UXYVZHMIGQISEP-UHFFFAOYSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657878280 419400770 /nfs/dbraw/zinc/40/07/70/419400770.db2.gz FZLZECNTGYPDOG-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000657878280 419400774 /nfs/dbraw/zinc/40/07/74/419400774.db2.gz FZLZECNTGYPDOG-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657821813 419373376 /nfs/dbraw/zinc/37/33/76/419373376.db2.gz TVFZMPOYZGGFPY-OAHLLOKOSA-N 2 2 299.418 3.036 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662274701 419382117 /nfs/dbraw/zinc/38/21/17/419382117.db2.gz KRYZSAOAKSPFEI-MCIONIFRSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662274701 419382120 /nfs/dbraw/zinc/38/21/20/419382120.db2.gz KRYZSAOAKSPFEI-MCIONIFRSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000657980095 419472872 /nfs/dbraw/zinc/47/28/72/419472872.db2.gz UTWCTRGLUKHYPC-BBRMVZONSA-N 2 2 296.405 3.355 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058138 419528693 /nfs/dbraw/zinc/52/86/93/419528693.db2.gz DBEZFPJWLMSCES-MNOVXSKESA-N 2 2 262.388 3.129 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058138 419528704 /nfs/dbraw/zinc/52/87/04/419528704.db2.gz DBEZFPJWLMSCES-MNOVXSKESA-N 2 2 262.388 3.129 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658095024 419568810 /nfs/dbraw/zinc/56/88/10/419568810.db2.gz DIKGYIXAUPDNRA-PBHICJAKSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658095024 419568819 /nfs/dbraw/zinc/56/88/19/419568819.db2.gz DIKGYIXAUPDNRA-PBHICJAKSA-N 2 2 287.451 3.396 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479401 419631862 /nfs/dbraw/zinc/63/18/62/419631862.db2.gz PLQTXWTZBXEXCU-CMPLNLGQSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479401 419631874 /nfs/dbraw/zinc/63/18/74/419631874.db2.gz PLQTXWTZBXEXCU-CMPLNLGQSA-N 2 2 278.362 3.037 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000658097146 419575022 /nfs/dbraw/zinc/57/50/22/419575022.db2.gz VFODSZRUUAHFRR-BBRMVZONSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000658097146 419575028 /nfs/dbraw/zinc/57/50/28/419575028.db2.gz VFODSZRUUAHFRR-BBRMVZONSA-N 2 2 288.435 3.232 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000663396799 419590318 /nfs/dbraw/zinc/59/03/18/419590318.db2.gz DUOQUQZECJGSOD-STQMWFEESA-N 2 2 299.340 3.448 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000663396799 419590324 /nfs/dbraw/zinc/59/03/24/419590324.db2.gz DUOQUQZECJGSOD-STQMWFEESA-N 2 2 299.340 3.448 20 0 CGADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)co1 ZINC000658198071 419652484 /nfs/dbraw/zinc/65/24/84/419652484.db2.gz IIIXVFBOIPYAJK-GOSISDBHSA-N 2 2 284.403 3.076 20 0 CGADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000658198071 419652491 /nfs/dbraw/zinc/65/24/91/419652491.db2.gz IIIXVFBOIPYAJK-GOSISDBHSA-N 2 2 284.403 3.076 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000658288787 419736745 /nfs/dbraw/zinc/73/67/45/419736745.db2.gz ZSDNXSWTMIIHKV-INMHGKMJSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000658288787 419736750 /nfs/dbraw/zinc/73/67/50/419736750.db2.gz ZSDNXSWTMIIHKV-INMHGKMJSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000658287527 419738906 /nfs/dbraw/zinc/73/89/06/419738906.db2.gz ZOCVOFZXFQDKPR-ZWKOTPCHSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000658287527 419738912 /nfs/dbraw/zinc/73/89/12/419738912.db2.gz ZOCVOFZXFQDKPR-ZWKOTPCHSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+](C)C(C)C)CC3 ZINC000180394237 260101023 /nfs/dbraw/zinc/10/10/23/260101023.db2.gz LOHCACBQDYDKGQ-OAHLLOKOSA-N 2 2 299.462 3.263 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+](C)C(C)C)CC3 ZINC000180394237 260101024 /nfs/dbraw/zinc/10/10/24/260101024.db2.gz LOHCACBQDYDKGQ-OAHLLOKOSA-N 2 2 299.462 3.263 20 0 CGADLP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020305985 262245307 /nfs/dbraw/zinc/24/53/07/262245307.db2.gz RAPMHUSOGITUMF-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000390743178 262250471 /nfs/dbraw/zinc/25/04/71/262250471.db2.gz NMPALEXQSYLGNU-PBHICJAKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000390743178 262250472 /nfs/dbraw/zinc/25/04/72/262250472.db2.gz NMPALEXQSYLGNU-PBHICJAKSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000033639211 270027239 /nfs/dbraw/zinc/02/72/39/270027239.db2.gz ZMQUBIRTSLCLRD-CRAIPNDOSA-N 2 2 268.404 3.468 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)s1 ZINC000041202554 270031015 /nfs/dbraw/zinc/03/10/15/270031015.db2.gz KAMNYOHPRUDONK-STQMWFEESA-N 2 2 266.454 3.445 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000041202554 270031016 /nfs/dbraw/zinc/03/10/16/270031016.db2.gz KAMNYOHPRUDONK-STQMWFEESA-N 2 2 266.454 3.445 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094587 270038184 /nfs/dbraw/zinc/03/81/84/270038184.db2.gz QGDRZOZCFDEYPS-MRXNPFEDSA-N 2 2 271.408 3.274 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045106305 270038250 /nfs/dbraw/zinc/03/82/50/270038250.db2.gz JUUYNRBMEPKVCA-OAHLLOKOSA-N 2 2 287.407 3.331 20 0 CGADLP Clc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868652 270049468 /nfs/dbraw/zinc/04/94/68/270049468.db2.gz VPVQCVJJWMEQKL-UONOGXRCSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868652 270049469 /nfs/dbraw/zinc/04/94/69/270049469.db2.gz VPVQCVJJWMEQKL-UONOGXRCSA-N 2 2 264.800 3.056 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189884 265357300 /nfs/dbraw/zinc/35/73/00/265357300.db2.gz NMWFCFDKMZYBTQ-URGYJCLVSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189884 265357303 /nfs/dbraw/zinc/35/73/03/265357303.db2.gz NMWFCFDKMZYBTQ-URGYJCLVSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000186876017 270067313 /nfs/dbraw/zinc/06/73/13/270067313.db2.gz MIZRDPUETHYZDE-RDTXWAMCSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000186876017 270067314 /nfs/dbraw/zinc/06/73/14/270067314.db2.gz MIZRDPUETHYZDE-RDTXWAMCSA-N 2 2 272.436 3.285 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cn1 ZINC000519449047 270097597 /nfs/dbraw/zinc/09/75/97/270097597.db2.gz YXJDRFOYRXCBRV-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)cn1 ZINC000519449047 270097598 /nfs/dbraw/zinc/09/75/98/270097598.db2.gz YXJDRFOYRXCBRV-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cn1 ZINC000519449047 270097599 /nfs/dbraw/zinc/09/75/99/270097599.db2.gz YXJDRFOYRXCBRV-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cn1 ZINC000519449047 270097600 /nfs/dbraw/zinc/09/76/00/270097600.db2.gz YXJDRFOYRXCBRV-OAHLLOKOSA-N 2 2 281.831 3.041 20 0 CGADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000525288349 270118919 /nfs/dbraw/zinc/11/89/19/270118919.db2.gz ZNRYGFOZZZLRSJ-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000525288349 270118920 /nfs/dbraw/zinc/11/89/20/270118920.db2.gz ZNRYGFOZZZLRSJ-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H](C)C2 ZINC000526108444 270122855 /nfs/dbraw/zinc/12/28/55/270122855.db2.gz WOBZIGHGKCOMPK-YOEHRIQHSA-N 2 2 272.436 3.302 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527219797 270126887 /nfs/dbraw/zinc/12/68/87/270126887.db2.gz MRIZDBCZGYGLBO-AWEZNQCLSA-N 2 2 287.382 3.311 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527673773 270131371 /nfs/dbraw/zinc/13/13/71/270131371.db2.gz OMOOZPGFRYAEQA-AAEUAGOBSA-N 2 2 274.399 3.130 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527673773 270131372 /nfs/dbraw/zinc/13/13/72/270131372.db2.gz OMOOZPGFRYAEQA-AAEUAGOBSA-N 2 2 274.399 3.130 20 0 CGADLP COCC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751443 270134493 /nfs/dbraw/zinc/13/44/93/270134493.db2.gz HQAAFYIRYYSURJ-HTWSVDAQSA-N 2 2 294.483 3.188 20 0 CGADLP COCC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751443 270134494 /nfs/dbraw/zinc/13/44/94/270134494.db2.gz HQAAFYIRYYSURJ-HTWSVDAQSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527891303 270142411 /nfs/dbraw/zinc/14/24/11/270142411.db2.gz MAQRPPMJNUAKHX-WTTBNOFXSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945384 270146095 /nfs/dbraw/zinc/14/60/95/270146095.db2.gz GIGVIZKXXKANOU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527945384 270146096 /nfs/dbraw/zinc/14/60/96/270146096.db2.gz GIGVIZKXXKANOU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951100 270146273 /nfs/dbraw/zinc/14/62/73/270146273.db2.gz QGPVCOPAYJMGID-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951100 270146274 /nfs/dbraw/zinc/14/62/74/270146274.db2.gz QGPVCOPAYJMGID-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528001207 270150089 /nfs/dbraw/zinc/15/00/89/270150089.db2.gz LXLPBYMQINKTIA-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528001207 270150090 /nfs/dbraw/zinc/15/00/90/270150090.db2.gz LXLPBYMQINKTIA-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002827 270150234 /nfs/dbraw/zinc/15/02/34/270150234.db2.gz QYGOXESJVDNJQE-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002827 270150235 /nfs/dbraw/zinc/15/02/35/270150235.db2.gz QYGOXESJVDNJQE-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015456 270151560 /nfs/dbraw/zinc/15/15/60/270151560.db2.gz XNLPBLBZKFXJTH-CZUORRHYSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015456 270151561 /nfs/dbraw/zinc/15/15/61/270151561.db2.gz XNLPBLBZKFXJTH-CZUORRHYSA-N 2 2 274.408 3.060 20 0 CGADLP CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528777064 270173380 /nfs/dbraw/zinc/17/33/80/270173380.db2.gz XNOZHDAKAOEDOI-INIZCTEOSA-N 2 2 287.382 3.290 20 0 CGADLP CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528777064 270173381 /nfs/dbraw/zinc/17/33/81/270173381.db2.gz XNOZHDAKAOEDOI-INIZCTEOSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529536774 270183137 /nfs/dbraw/zinc/18/31/37/270183137.db2.gz QSCMUDYGRCVLFF-BBRMVZONSA-N 2 2 296.405 3.183 20 0 CGADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638792 270186676 /nfs/dbraw/zinc/18/66/76/270186676.db2.gz BFPHUHJQSROQLJ-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529638792 270186677 /nfs/dbraw/zinc/18/66/77/270186677.db2.gz BFPHUHJQSROQLJ-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCC2)o1 ZINC000530216111 270195735 /nfs/dbraw/zinc/19/57/35/270195735.db2.gz MONXCXBVNDLLIX-HZPDHXFCSA-N 2 2 274.408 3.303 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)c(Cl)c1 ZINC000530217178 270195761 /nfs/dbraw/zinc/19/57/61/270195761.db2.gz FONKAYLASVWZAV-QMTHXVAHSA-N 2 2 282.790 3.414 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCC2)o1 ZINC000530216110 270195820 /nfs/dbraw/zinc/19/58/20/270195820.db2.gz MONXCXBVNDLLIX-HOTGVXAUSA-N 2 2 274.408 3.303 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217855 270196245 /nfs/dbraw/zinc/19/62/45/270196245.db2.gz HRQQAIFSRAUVDS-WMLDXEAASA-N 2 2 288.435 3.411 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncccc1F ZINC000530220765 270196694 /nfs/dbraw/zinc/19/66/94/270196694.db2.gz CQMUPSCZOZEJSM-IHRRRGAJSA-N 2 2 279.403 3.182 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000530222214 270196736 /nfs/dbraw/zinc/19/67/36/270196736.db2.gz QYADVEMKXBGLDK-HOTGVXAUSA-N 2 2 274.408 3.021 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530222064 270196750 /nfs/dbraw/zinc/19/67/50/270196750.db2.gz QCXRKJJLGOMURJ-GOEBONIOSA-N 2 2 258.409 3.239 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cc(C)ccc1C ZINC000530226024 270196865 /nfs/dbraw/zinc/19/68/65/270196865.db2.gz ZRSRNDKVFLLSJM-JZXOWHBKSA-N 2 2 290.451 3.111 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531735321 270209272 /nfs/dbraw/zinc/20/92/72/270209272.db2.gz ZFVHBXRCJIHXLT-ZMYBRWDISA-N 2 2 284.447 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531735321 270209273 /nfs/dbraw/zinc/20/92/73/270209273.db2.gz ZFVHBXRCJIHXLT-ZMYBRWDISA-N 2 2 284.447 3.080 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531811326 270210106 /nfs/dbraw/zinc/21/01/06/270210106.db2.gz KECURMQGLFDAFO-ZLTRSOCKSA-N 2 2 270.420 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531811326 270210107 /nfs/dbraw/zinc/21/01/07/270210107.db2.gz KECURMQGLFDAFO-ZLTRSOCKSA-N 2 2 270.420 3.162 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000531938640 270210934 /nfs/dbraw/zinc/21/09/34/270210934.db2.gz IQLURABIELLRTN-KRWDZBQOSA-N 2 2 299.418 3.475 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000531950304 270211480 /nfs/dbraw/zinc/21/14/80/270211480.db2.gz HQHIJICCRXGLAN-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000531950304 270211481 /nfs/dbraw/zinc/21/14/81/270211481.db2.gz HQHIJICCRXGLAN-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000531975719 270211847 /nfs/dbraw/zinc/21/18/47/270211847.db2.gz SKMTZVNXTWKUME-DZKIICNBSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531980275 270212130 /nfs/dbraw/zinc/21/21/30/270212130.db2.gz QIBBAXRGMJHTPH-MAUKXSAKSA-N 2 2 286.463 3.254 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000531989490 270212181 /nfs/dbraw/zinc/21/21/81/270212181.db2.gz YFYMLSHBGDIEPN-FSPWUOQZSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000531989490 270212182 /nfs/dbraw/zinc/21/21/82/270212182.db2.gz YFYMLSHBGDIEPN-FSPWUOQZSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530309 270216861 /nfs/dbraw/zinc/21/68/61/270216861.db2.gz XEMSKBZEXZWHEG-JKSUJKDBSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530309 270216862 /nfs/dbraw/zinc/21/68/62/270216862.db2.gz XEMSKBZEXZWHEG-JKSUJKDBSA-N 2 2 274.452 3.284 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233513 273549902 /nfs/dbraw/zinc/54/99/02/273549902.db2.gz JZFRZGLJURTBKO-XOKHGSTOSA-N 2 2 258.409 3.213 20 0 CGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000340516423 274026146 /nfs/dbraw/zinc/02/61/46/274026146.db2.gz YXRZRRBUVLPZBB-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280173031 274047725 /nfs/dbraw/zinc/04/77/25/274047725.db2.gz GEHGSCWOGDAAMY-ZDUSSCGKSA-N 2 2 287.407 3.017 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423353661 274306968 /nfs/dbraw/zinc/30/69/68/274306968.db2.gz BWBULOFLRMCKRF-JLZZUVOBSA-N 2 2 283.419 3.133 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449109672 274476360 /nfs/dbraw/zinc/47/63/60/274476360.db2.gz XHLNTIAEDAFIPB-SKDRFNHKSA-N 2 2 286.341 3.021 20 0 CGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CC2)CC1 ZINC000301102834 274882878 /nfs/dbraw/zinc/88/28/78/274882878.db2.gz OLHHWMQVSMDVNC-UHFFFAOYSA-N 2 2 287.794 3.173 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000462789209 275391239 /nfs/dbraw/zinc/39/12/39/275391239.db2.gz JDCLAUKLJXJASQ-FGTMMUONSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488465035 275688011 /nfs/dbraw/zinc/68/80/11/275688011.db2.gz UCCMOTLHAYHKEL-ULQDDVLXSA-N 2 2 292.492 3.409 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000178078437 275860163 /nfs/dbraw/zinc/86/01/63/275860163.db2.gz BGIIRUHYVWETAK-MRXNPFEDSA-N 2 2 269.392 3.285 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423316857 276017549 /nfs/dbraw/zinc/01/75/49/276017549.db2.gz YHWSAXISMXTXLG-YPMHNXCESA-N 2 2 252.427 3.276 20 0 CGADLP CC[N@H+](C)CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482231309 276071358 /nfs/dbraw/zinc/07/13/58/276071358.db2.gz VTFXZZNSNCUHFG-UHFFFAOYSA-N 2 2 289.250 3.467 20 0 CGADLP CC[N@@H+](C)CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482231309 276071359 /nfs/dbraw/zinc/07/13/59/276071359.db2.gz VTFXZZNSNCUHFG-UHFFFAOYSA-N 2 2 289.250 3.467 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991944 276174048 /nfs/dbraw/zinc/17/40/48/276174048.db2.gz BZYWWRJZRAQTTF-QGZVFWFLSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991944 276174049 /nfs/dbraw/zinc/17/40/49/276174049.db2.gz BZYWWRJZRAQTTF-QGZVFWFLSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248529868 276175194 /nfs/dbraw/zinc/17/51/94/276175194.db2.gz LOAFOZLVXYPFMZ-CRAIPNDOSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248529868 276175195 /nfs/dbraw/zinc/17/51/95/276175195.db2.gz LOAFOZLVXYPFMZ-CRAIPNDOSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000248529868 276175196 /nfs/dbraw/zinc/17/51/96/276175196.db2.gz LOAFOZLVXYPFMZ-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000248529868 276175197 /nfs/dbraw/zinc/17/51/97/276175197.db2.gz LOAFOZLVXYPFMZ-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352328 276217571 /nfs/dbraw/zinc/21/75/71/276217571.db2.gz WXLMVPUVBMOJFS-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352328 276217572 /nfs/dbraw/zinc/21/75/72/276217572.db2.gz WXLMVPUVBMOJFS-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC000343247844 276251794 /nfs/dbraw/zinc/25/17/94/276251794.db2.gz BDKVTATVELPDOB-QILLFSRXSA-N 2 2 272.436 3.036 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC000343247844 276251796 /nfs/dbraw/zinc/25/17/96/276251796.db2.gz BDKVTATVELPDOB-QILLFSRXSA-N 2 2 272.436 3.036 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423248883 276266675 /nfs/dbraw/zinc/26/66/75/276266675.db2.gz RGEGCDQFVYZUSE-CYBMUJFWSA-N 2 2 284.856 3.466 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000361980277 276287487 /nfs/dbraw/zinc/28/74/87/276287487.db2.gz JEJFJGWOUOITJH-UVBJJODRSA-N 2 2 282.378 3.346 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000361980277 276287491 /nfs/dbraw/zinc/28/74/91/276287491.db2.gz JEJFJGWOUOITJH-UVBJJODRSA-N 2 2 282.378 3.346 20 0 CGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@H](C)c1cccnc1 ZINC000290579066 276354209 /nfs/dbraw/zinc/35/42/09/276354209.db2.gz UJVJXECQJVKMMV-CQSZACIVSA-N 2 2 280.375 3.312 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H](C)c1cccnc1 ZINC000290579066 276354210 /nfs/dbraw/zinc/35/42/10/276354210.db2.gz UJVJXECQJVKMMV-CQSZACIVSA-N 2 2 280.375 3.312 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427564186 276373696 /nfs/dbraw/zinc/37/36/96/276373696.db2.gz IYJXEAJKUHDROK-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427564186 276373697 /nfs/dbraw/zinc/37/36/97/276373697.db2.gz IYJXEAJKUHDROK-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423463965 276580130 /nfs/dbraw/zinc/58/01/30/276580130.db2.gz LOXMHSWKCZTBQU-AAEUAGOBSA-N 2 2 275.421 3.198 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000154626994 277081597 /nfs/dbraw/zinc/08/15/97/277081597.db2.gz VQHSFAIFWGVYGZ-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000154626994 277081598 /nfs/dbraw/zinc/08/15/98/277081598.db2.gz VQHSFAIFWGVYGZ-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000354408022 277194527 /nfs/dbraw/zinc/19/45/27/277194527.db2.gz LAZCUBXPZQNVGY-CQSZACIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccccc32)CCC[N@@H+]1C ZINC000342718803 278103893 /nfs/dbraw/zinc/10/38/93/278103893.db2.gz RDZXZVIHSFAEAJ-XYPHTWIQSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccccc32)CCC[N@H+]1C ZINC000342718803 278103896 /nfs/dbraw/zinc/10/38/96/278103896.db2.gz RDZXZVIHSFAEAJ-XYPHTWIQSA-N 2 2 258.409 3.136 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000467440890 278174617 /nfs/dbraw/zinc/17/46/17/278174617.db2.gz YTEMCAFJHYPYHB-JMSVASOKSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000467440890 278174618 /nfs/dbraw/zinc/17/46/18/278174618.db2.gz YTEMCAFJHYPYHB-JMSVASOKSA-N 2 2 264.438 3.009 20 0 CGADLP C[C@H]([NH2+]C1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186327601 278254726 /nfs/dbraw/zinc/25/47/26/278254726.db2.gz AAXPTDHWUGLQAK-BBRMVZONSA-N 2 2 278.465 3.163 20 0 CGADLP CC(C)(C)C1CCC(C[NH2+][C@H](CC[NH3+])C(F)F)CC1 ZINC000414993483 278301364 /nfs/dbraw/zinc/30/13/64/278301364.db2.gz SOWBTIJOCKOVCE-WXRRBKDZSA-N 2 2 276.415 3.411 20 0 CGADLP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397836315 288031838 /nfs/dbraw/zinc/03/18/38/288031838.db2.gz OTQKHUWGLABBKF-UMVBOHGHSA-N 2 2 287.432 3.417 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CS[C@H](C)C2)n1-c1ccccc1 ZINC000397840981 288031890 /nfs/dbraw/zinc/03/18/90/288031890.db2.gz QMCISTABRIRMIG-TZMCWYRMSA-N 2 2 287.432 3.164 20 0 CGADLP Cc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000397935705 288035445 /nfs/dbraw/zinc/03/54/45/288035445.db2.gz HNERFQPKKSCOCQ-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423091058 278371478 /nfs/dbraw/zinc/37/14/78/278371478.db2.gz ZBQSSBXIOWXQPV-OAUYIBNBSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000449079696 278580076 /nfs/dbraw/zinc/58/00/76/278580076.db2.gz ZXBNXQABRCARRG-FMKPAKJESA-N 2 2 275.440 3.176 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1c(C)nn(C)c1C ZINC000422798696 288092149 /nfs/dbraw/zinc/09/21/49/288092149.db2.gz SKQDJGNMCQVNKY-ULQDDVLXSA-N 2 2 298.434 3.222 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000459515758 288095833 /nfs/dbraw/zinc/09/58/33/288095833.db2.gz PTECNHGNXYIXFT-MRXNPFEDSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000459515758 288095834 /nfs/dbraw/zinc/09/58/34/288095834.db2.gz PTECNHGNXYIXFT-MRXNPFEDSA-N 2 2 291.345 3.078 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccn1 ZINC000358308006 279195113 /nfs/dbraw/zinc/19/51/13/279195113.db2.gz XOXNSEOBOKYEHL-INMHGKMJSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000358308006 279195117 /nfs/dbraw/zinc/19/51/17/279195117.db2.gz XOXNSEOBOKYEHL-INMHGKMJSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H](F)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359693 279390458 /nfs/dbraw/zinc/39/04/58/279390458.db2.gz BQNILXVRZSXQQU-KBPBESRZSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@H](F)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359693 279390459 /nfs/dbraw/zinc/39/04/59/279390459.db2.gz BQNILXVRZSXQQU-KBPBESRZSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000527668238 288186408 /nfs/dbraw/zinc/18/64/08/288186408.db2.gz UWHWDLWJCFXJFB-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000527668238 288186413 /nfs/dbraw/zinc/18/64/13/288186413.db2.gz UWHWDLWJCFXJFB-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423232557 280011209 /nfs/dbraw/zinc/01/12/09/280011209.db2.gz IMQIEOWNUXEPBJ-UMNHJUIQSA-N 2 2 268.451 3.015 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000156654896 280112214 /nfs/dbraw/zinc/11/22/14/280112214.db2.gz BCMQVMYSCRKZIE-PBHICJAKSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)c1ccccc1N(C)C)[NH+]1CCCC1 ZINC000093942220 280146176 /nfs/dbraw/zinc/14/61/76/280146176.db2.gz MZUMJJXOKDXXGK-CVEARBPZSA-N 2 2 289.467 3.278 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000261646165 280376753 /nfs/dbraw/zinc/37/67/53/280376753.db2.gz AOUWBRUXUJPXMV-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000261646165 280376754 /nfs/dbraw/zinc/37/67/54/280376754.db2.gz AOUWBRUXUJPXMV-AWEZNQCLSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000339066830 281117616 /nfs/dbraw/zinc/11/76/16/281117616.db2.gz KXUYEJXUXWNNJM-QGZVFWFLSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188953220 281285027 /nfs/dbraw/zinc/28/50/27/281285027.db2.gz HRSRGJHRRFSNBU-VBQJREDUSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188953220 281285028 /nfs/dbraw/zinc/28/50/28/281285028.db2.gz HRSRGJHRRFSNBU-VBQJREDUSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531722730 288343250 /nfs/dbraw/zinc/34/32/50/288343250.db2.gz FBVKMGMVPKLLPW-GOEBONIOSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531722730 288343254 /nfs/dbraw/zinc/34/32/54/288343254.db2.gz FBVKMGMVPKLLPW-GOEBONIOSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000531728525 288344404 /nfs/dbraw/zinc/34/44/04/288344404.db2.gz DWARDGZALYBCAG-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000531728525 288344408 /nfs/dbraw/zinc/34/44/08/288344408.db2.gz DWARDGZALYBCAG-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000532195409 288354784 /nfs/dbraw/zinc/35/47/84/288354784.db2.gz QFJDELWKQQBLKQ-QAPCUYQASA-N 2 2 298.430 3.383 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000532195409 288354788 /nfs/dbraw/zinc/35/47/88/288354788.db2.gz QFJDELWKQQBLKQ-QAPCUYQASA-N 2 2 298.430 3.383 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000532244250 288358630 /nfs/dbraw/zinc/35/86/30/288358630.db2.gz KWIWOSPSCATGJW-RBSFLKMASA-N 2 2 261.413 3.237 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549228561 289038457 /nfs/dbraw/zinc/03/84/57/289038457.db2.gz LWAPFLKBQIEAGU-DACLVMHWSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549228561 289038460 /nfs/dbraw/zinc/03/84/60/289038460.db2.gz LWAPFLKBQIEAGU-DACLVMHWSA-N 2 2 272.436 3.251 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551267574 289106462 /nfs/dbraw/zinc/10/64/62/289106462.db2.gz DIKAHRPOCCIUBO-MSOLQXFVSA-N 2 2 270.420 3.349 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551267574 289106465 /nfs/dbraw/zinc/10/64/65/289106465.db2.gz DIKAHRPOCCIUBO-MSOLQXFVSA-N 2 2 270.420 3.349 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]CC2CCCCC2)cc1 ZINC000551577129 289123348 /nfs/dbraw/zinc/12/33/48/289123348.db2.gz TTXCQXVMSKXZCL-GOSISDBHSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000552066075 289158226 /nfs/dbraw/zinc/15/82/26/289158226.db2.gz YMWUGZJBYUCCNU-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000553877053 289243393 /nfs/dbraw/zinc/24/33/93/289243393.db2.gz HVCZMJVNERBRHJ-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000553877053 289243396 /nfs/dbraw/zinc/24/33/96/289243396.db2.gz HVCZMJVNERBRHJ-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1C=CCCCCC1)CC2 ZINC000555419606 289344392 /nfs/dbraw/zinc/34/43/92/289344392.db2.gz NTJDLQNZRSJCNB-MRXNPFEDSA-N 2 2 262.441 3.436 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1C=CCCCCC1)CC2 ZINC000555419606 289344393 /nfs/dbraw/zinc/34/43/93/289344393.db2.gz NTJDLQNZRSJCNB-MRXNPFEDSA-N 2 2 262.441 3.436 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643824 289355683 /nfs/dbraw/zinc/35/56/83/289355683.db2.gz HRTZAUPNLKQPRI-BRXULGCHSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643824 289355686 /nfs/dbraw/zinc/35/56/86/289355686.db2.gz HRTZAUPNLKQPRI-BRXULGCHSA-N 2 2 278.827 3.126 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000560246769 289579494 /nfs/dbraw/zinc/57/94/94/289579494.db2.gz IDJXAQVKYOBYOG-HZPDHXFCSA-N 2 2 290.451 3.162 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000230031743 295229854 /nfs/dbraw/zinc/22/98/54/295229854.db2.gz VSWVEYGOGYGKBN-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000230031743 295229855 /nfs/dbraw/zinc/22/98/55/295229855.db2.gz VSWVEYGOGYGKBN-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP COc1ccc([C@H]([NH2+]CC(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422706037 295244446 /nfs/dbraw/zinc/24/44/46/295244446.db2.gz SRICFYJDSJWGLU-HOTGVXAUSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423178589 301284723 /nfs/dbraw/zinc/28/47/23/301284723.db2.gz CBKNVZFAWZEJIB-WFASDCNBSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423239468 301288401 /nfs/dbraw/zinc/28/84/01/301288401.db2.gz RYVWEOLWTBJFNL-HIFRSBDPSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)cccc1C)CCC2 ZINC000358517125 302325108 /nfs/dbraw/zinc/32/51/08/302325108.db2.gz OYTVTZAKFVGNTD-INIZCTEOSA-N 2 2 283.419 3.476 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000387963460 327821753 /nfs/dbraw/zinc/82/17/53/327821753.db2.gz DRLUWXMOXQDJLA-CABCVRRESA-N 2 2 255.365 3.008 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582853049 329280406 /nfs/dbraw/zinc/28/04/06/329280406.db2.gz ZBSRTRJQLOVMIQ-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000582853049 329280408 /nfs/dbraw/zinc/28/04/08/329280408.db2.gz ZBSRTRJQLOVMIQ-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cscn2)CC1 ZINC000162395599 321882779 /nfs/dbraw/zinc/88/27/79/321882779.db2.gz RARJGERYGVEEEC-GFCCVEGCSA-N 2 2 267.442 3.058 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000564668906 322038665 /nfs/dbraw/zinc/03/86/65/322038665.db2.gz YCSAYTYHALKNEH-UHFFFAOYSA-N 2 2 295.386 3.180 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000564741090 322041252 /nfs/dbraw/zinc/04/12/52/322041252.db2.gz GFWKNBJVNHOWIB-JJXSEGSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000564741090 322041253 /nfs/dbraw/zinc/04/12/53/322041253.db2.gz GFWKNBJVNHOWIB-JJXSEGSLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC12CCC2 ZINC000565244171 322069976 /nfs/dbraw/zinc/06/99/76/322069976.db2.gz GILKAONIZQTCGR-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000566092339 322104066 /nfs/dbraw/zinc/10/40/66/322104066.db2.gz BVNYDAJEHMYBQY-COXVUDFISA-N 2 2 258.409 3.042 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccccc2)cc1F ZINC000566225972 322110249 /nfs/dbraw/zinc/11/02/49/322110249.db2.gz REIUHJYTOZPBAR-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2)cc1F ZINC000566225972 322110250 /nfs/dbraw/zinc/11/02/50/322110250.db2.gz REIUHJYTOZPBAR-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1N[C@H](C)Cn1cc[nH+]c1 ZINC000566711625 322135203 /nfs/dbraw/zinc/13/52/03/322135203.db2.gz QADNPFWTGDCRNM-CYBMUJFWSA-N 2 2 294.402 3.225 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)C(C)(C)C2 ZINC000566805449 322138865 /nfs/dbraw/zinc/13/88/65/322138865.db2.gz QPHCPWDRIKSXGS-UHFFFAOYSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCCc1c[nH+]cn1C)C(C)(C)C2 ZINC000566805449 322138868 /nfs/dbraw/zinc/13/88/68/322138868.db2.gz QPHCPWDRIKSXGS-UHFFFAOYSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1nsc(C)c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000567062395 322149063 /nfs/dbraw/zinc/14/90/63/322149063.db2.gz ICUJQABERCOMPL-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000567062395 322149064 /nfs/dbraw/zinc/14/90/64/322149064.db2.gz ICUJQABERCOMPL-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000567062395 322149065 /nfs/dbraw/zinc/14/90/65/322149065.db2.gz ICUJQABERCOMPL-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000567062395 322149067 /nfs/dbraw/zinc/14/90/67/322149067.db2.gz ICUJQABERCOMPL-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCC2)O1 ZINC000567811003 322178596 /nfs/dbraw/zinc/17/85/96/322178596.db2.gz OPVORFKNLHRYQJ-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCC2)O1 ZINC000567811003 322178598 /nfs/dbraw/zinc/17/85/98/322178598.db2.gz OPVORFKNLHRYQJ-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](c1ccccc1)C(C)C ZINC000567871931 322181015 /nfs/dbraw/zinc/18/10/15/322181015.db2.gz GCJDKJIJJAJJOG-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](c1ccccc1)C(C)C ZINC000567871931 322181017 /nfs/dbraw/zinc/18/10/17/322181017.db2.gz GCJDKJIJJAJJOG-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000567916360 322183323 /nfs/dbraw/zinc/18/33/23/322183323.db2.gz SHHDFSSLDQHQIT-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000567916360 322183326 /nfs/dbraw/zinc/18/33/26/322183326.db2.gz SHHDFSSLDQHQIT-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000569259878 322241196 /nfs/dbraw/zinc/24/11/96/322241196.db2.gz JXDFGGGWKOLTFS-KBPBESRZSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000569259878 322241198 /nfs/dbraw/zinc/24/11/98/322241198.db2.gz JXDFGGGWKOLTFS-KBPBESRZSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463122 322248022 /nfs/dbraw/zinc/24/80/22/322248022.db2.gz KOSQGKJCJRMFFX-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463122 322248023 /nfs/dbraw/zinc/24/80/23/322248023.db2.gz KOSQGKJCJRMFFX-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1[NH3+] ZINC000570044325 322263428 /nfs/dbraw/zinc/26/34/28/322263428.db2.gz FGGYCWXLVDSWGX-DOMZBBRYSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1[NH3+] ZINC000570044325 322263429 /nfs/dbraw/zinc/26/34/29/322263429.db2.gz FGGYCWXLVDSWGX-DOMZBBRYSA-N 2 2 293.480 3.360 20 0 CGADLP CCCc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)o1 ZINC000570562569 322276409 /nfs/dbraw/zinc/27/64/09/322276409.db2.gz YOHJJRPOZXDDAQ-NVXWUHKLSA-N 2 2 299.418 3.210 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722543 322306161 /nfs/dbraw/zinc/30/61/61/322306161.db2.gz HWTQZYMIKNOPCE-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722543 322306163 /nfs/dbraw/zinc/30/61/63/322306163.db2.gz HWTQZYMIKNOPCE-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722543 322306164 /nfs/dbraw/zinc/30/61/64/322306164.db2.gz HWTQZYMIKNOPCE-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722543 322306166 /nfs/dbraw/zinc/30/61/66/322306166.db2.gz HWTQZYMIKNOPCE-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000572226907 322326400 /nfs/dbraw/zinc/32/64/00/322326400.db2.gz NQXIVZWWPQVXPC-NUEKZKHPSA-N 2 2 261.413 3.304 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000572226907 322326403 /nfs/dbraw/zinc/32/64/03/322326403.db2.gz NQXIVZWWPQVXPC-NUEKZKHPSA-N 2 2 261.413 3.304 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@H]1C1CC1)CCCC2 ZINC000572786641 322355141 /nfs/dbraw/zinc/35/51/41/322355141.db2.gz JRGCBTCOCJOYMT-JKSUJKDBSA-N 2 2 273.424 3.278 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000575816423 322491518 /nfs/dbraw/zinc/49/15/18/322491518.db2.gz QSEYMMRCJMIFME-CYBMUJFWSA-N 2 2 299.422 3.014 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2c(C)cccc2C)n1C ZINC000583642161 328725280 /nfs/dbraw/zinc/72/52/80/328725280.db2.gz QMCYRVIVZJUXCA-ZDUSSCGKSA-N 2 2 257.381 3.196 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000423415018 533709340 /nfs/dbraw/zinc/70/93/40/533709340.db2.gz DBRPPSSXMWYBGF-AUUYWEPGSA-N 2 2 296.414 3.233 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582526008 329107106 /nfs/dbraw/zinc/10/71/06/329107106.db2.gz XWNNJAKGXOHQQF-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000582526008 329107107 /nfs/dbraw/zinc/10/71/07/329107107.db2.gz XWNNJAKGXOHQQF-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000582755208 329144687 /nfs/dbraw/zinc/14/46/87/329144687.db2.gz JZHXCVCZNLAWIZ-GDBMZVCRSA-N 2 2 283.419 3.459 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000576100165 335153834 /nfs/dbraw/zinc/15/38/34/335153834.db2.gz SHNSLYVHQJKVEZ-XJKSGUPXSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000576100165 335153835 /nfs/dbraw/zinc/15/38/35/335153835.db2.gz SHNSLYVHQJKVEZ-XJKSGUPXSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000576436608 335203350 /nfs/dbraw/zinc/20/33/50/335203350.db2.gz XPQUCLFQAFUQMR-PWXKEOIMSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000576436608 335203352 /nfs/dbraw/zinc/20/33/52/335203352.db2.gz XPQUCLFQAFUQMR-PWXKEOIMSA-N 2 2 281.403 3.049 20 0 CGADLP Cc1ccc(C)c([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423446396 533714682 /nfs/dbraw/zinc/71/46/82/533714682.db2.gz YSMGBQOWELUVRS-WCIQWLHISA-N 2 2 292.426 3.200 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(Cc3ccccc3)CCC2)n1C ZINC000576958526 335270246 /nfs/dbraw/zinc/27/02/46/335270246.db2.gz MHMUBQJOJNVTLD-UHFFFAOYSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000577681491 335387985 /nfs/dbraw/zinc/38/79/85/335387985.db2.gz VBFLHULBJXRJME-UKMLZYKCSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000577681491 335387987 /nfs/dbraw/zinc/38/79/87/335387987.db2.gz VBFLHULBJXRJME-UKMLZYKCSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349400536 335463180 /nfs/dbraw/zinc/46/31/80/335463180.db2.gz CTCOKJZICQFXMV-MPGHIAIKSA-N 2 2 290.451 3.083 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000179911268 335531334 /nfs/dbraw/zinc/53/13/34/335531334.db2.gz QTGVGLAPSHZCKY-CQSZACIVSA-N 2 2 251.418 3.324 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2N2CCCCC2)n1C ZINC000578766580 335672482 /nfs/dbraw/zinc/67/24/82/335672482.db2.gz BCRMTJQXLGDQDQ-UHFFFAOYSA-N 2 2 298.434 3.009 20 0 CGADLP Cc1csc([C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC000581278425 336035576 /nfs/dbraw/zinc/03/55/76/336035576.db2.gz YUBSQVWZIIVLEE-LSDHHAIUSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1csc([C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278425 336035578 /nfs/dbraw/zinc/03/55/78/336035578.db2.gz YUBSQVWZIIVLEE-LSDHHAIUSA-N 2 2 293.480 3.367 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990501 336041999 /nfs/dbraw/zinc/04/19/99/336041999.db2.gz JVOLRKQSWVQAFH-LPHOPBHVSA-N 2 2 295.430 3.102 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990501 336042001 /nfs/dbraw/zinc/04/20/01/336042001.db2.gz JVOLRKQSWVQAFH-LPHOPBHVSA-N 2 2 295.430 3.102 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381067735 336047811 /nfs/dbraw/zinc/04/78/11/336047811.db2.gz NSXVMTJGRUQXCK-BZZMCLGOSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381067735 336047812 /nfs/dbraw/zinc/04/78/12/336047812.db2.gz NSXVMTJGRUQXCK-BZZMCLGOSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)n1C ZINC000581381303 336065804 /nfs/dbraw/zinc/06/58/04/336065804.db2.gz WWNYOCKFISXACX-UHFFFAOYSA-N 2 2 287.382 3.123 20 0 CGADLP Cc1ccc2ncc(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2c1 ZINC000581675433 336126748 /nfs/dbraw/zinc/12/67/48/336126748.db2.gz SKTLTUZCBSMPQN-ZWKOTPCHSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1ccc2ncc(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2c1 ZINC000581675433 336126749 /nfs/dbraw/zinc/12/67/49/336126749.db2.gz SKTLTUZCBSMPQN-ZWKOTPCHSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2c1 ZINC000581675433 336126751 /nfs/dbraw/zinc/12/67/51/336126751.db2.gz SKTLTUZCBSMPQN-ZWKOTPCHSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2c1 ZINC000581675433 336126753 /nfs/dbraw/zinc/12/67/53/336126753.db2.gz SKTLTUZCBSMPQN-ZWKOTPCHSA-N 2 2 295.430 3.212 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386072835 336165815 /nfs/dbraw/zinc/16/58/15/336165815.db2.gz FSQRUXDVZHWKQT-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000386120168 336166534 /nfs/dbraw/zinc/16/65/34/336166534.db2.gz MYVNCCRZFRJGJV-QMTHXVAHSA-N 2 2 270.779 3.099 20 0 CGADLP CN(CC1CC[NH+](C)CC1)c1[nH+]ccc2cc(F)ccc21 ZINC000582000054 336188278 /nfs/dbraw/zinc/18/82/78/336188278.db2.gz VLIHUMHDTIAQLK-UHFFFAOYSA-N 2 2 287.382 3.152 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451336510 535503816 /nfs/dbraw/zinc/50/38/16/535503816.db2.gz WJEAXUNOJYLISP-MRXNPFEDSA-N 2 2 298.858 3.037 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451336510 535503821 /nfs/dbraw/zinc/50/38/21/535503821.db2.gz WJEAXUNOJYLISP-MRXNPFEDSA-N 2 2 298.858 3.037 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H]3CCC[N@@H+]3C)cccc12 ZINC000449103862 533837234 /nfs/dbraw/zinc/83/72/34/533837234.db2.gz SEMSLVFMDHQHRS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H]3CCC[N@H+]3C)cccc12 ZINC000449103862 533837239 /nfs/dbraw/zinc/83/72/39/533837239.db2.gz SEMSLVFMDHQHRS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423382454 533874136 /nfs/dbraw/zinc/87/41/36/533874136.db2.gz IPLBTDGUAIIJKI-NVXWUHKLSA-N 2 2 288.435 3.050 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2c[nH+]cn2C(C)C)s1 ZINC000425331204 533878876 /nfs/dbraw/zinc/87/88/76/533878876.db2.gz XMVDWGXUBILOCL-UHFFFAOYSA-N 2 2 263.410 3.466 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2c[nH+]cn2C(C)C)s1 ZINC000425331204 533878885 /nfs/dbraw/zinc/87/88/85/533878885.db2.gz XMVDWGXUBILOCL-UHFFFAOYSA-N 2 2 263.410 3.466 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956109 533897714 /nfs/dbraw/zinc/89/77/14/533897714.db2.gz BUAAMVQLSRUSAI-SJCJKPOMSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956109 533897715 /nfs/dbraw/zinc/89/77/15/533897715.db2.gz BUAAMVQLSRUSAI-SJCJKPOMSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423315069 533898108 /nfs/dbraw/zinc/89/81/08/533898108.db2.gz IHQYIBSQUQEMMR-WFASDCNBSA-N 2 2 270.376 3.335 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103682 534012875 /nfs/dbraw/zinc/01/28/75/534012875.db2.gz XWTCFCWAVVSSMQ-TUUVXOQKSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103682 534012882 /nfs/dbraw/zinc/01/28/82/534012882.db2.gz XWTCFCWAVVSSMQ-TUUVXOQKSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194846 534451443 /nfs/dbraw/zinc/45/14/43/534451443.db2.gz PPYQEKDVQGKIFU-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194846 534451448 /nfs/dbraw/zinc/45/14/48/534451448.db2.gz PPYQEKDVQGKIFU-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc2c1 ZINC000423273816 534474797 /nfs/dbraw/zinc/47/47/97/534474797.db2.gz JNHBAFHNUIQNLW-BXUZGUMPSA-N 2 2 258.365 3.129 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cccc4cccnc43)CC2)[nH+]1 ZINC000369346473 534540537 /nfs/dbraw/zinc/54/05/37/534540537.db2.gz UPNKKTKRBGRCOF-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCCCCn1cc[nH+]c1 ZINC000359172216 534681138 /nfs/dbraw/zinc/68/11/38/534681138.db2.gz XIJALMQNSOSMQL-UHFFFAOYSA-N 2 2 268.364 3.412 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000163865503 524045731 /nfs/dbraw/zinc/04/57/31/524045731.db2.gz POJOMUFGJFGQSX-ZDUSSCGKSA-N 2 2 273.380 3.390 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1Br ZINC000163907312 524336419 /nfs/dbraw/zinc/33/64/19/524336419.db2.gz HPVIXDWSASGTEC-LLVKDONJSA-N 2 2 298.228 3.130 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cscn1 ZINC000162323848 525395161 /nfs/dbraw/zinc/39/51/61/525395161.db2.gz JKUOMBZJZLXDCB-SNVBAGLBSA-N 2 2 267.442 3.103 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccco1 ZINC000151352618 525533884 /nfs/dbraw/zinc/53/38/84/525533884.db2.gz OQBBXYKZWIIKHD-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449336472 527831094 /nfs/dbraw/zinc/83/10/94/527831094.db2.gz NREJXZMZWYKPMJ-ILXRZTDVSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449336472 527831098 /nfs/dbraw/zinc/83/10/98/527831098.db2.gz NREJXZMZWYKPMJ-ILXRZTDVSA-N 2 2 275.440 3.462 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449381152 528155925 /nfs/dbraw/zinc/15/59/25/528155925.db2.gz XZBCGNSLXRENMJ-RYQLBKOJSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449381152 528155928 /nfs/dbraw/zinc/15/59/28/528155928.db2.gz XZBCGNSLXRENMJ-RYQLBKOJSA-N 2 2 290.451 3.227 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C)c2F)C1 ZINC000449026248 528184233 /nfs/dbraw/zinc/18/42/33/528184233.db2.gz DZZDEFCAWAVKNJ-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC000449026248 528184237 /nfs/dbraw/zinc/18/42/37/528184237.db2.gz DZZDEFCAWAVKNJ-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447934535 528204151 /nfs/dbraw/zinc/20/41/51/528204151.db2.gz YXFOIAZBLZHOOY-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423272937 528311339 /nfs/dbraw/zinc/31/13/39/528311339.db2.gz ZRNOAGPHMQGBCB-ONGXEEELSA-N 2 2 260.834 3.426 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000423504612 528315051 /nfs/dbraw/zinc/31/50/51/528315051.db2.gz NOCBETNYNHHFKK-WCQYABFASA-N 2 2 281.469 3.435 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423237767 528330983 /nfs/dbraw/zinc/33/09/83/528330983.db2.gz DTHXDXSQBXIUNM-JTQLQIEISA-N 2 2 266.772 3.346 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000423242947 528332202 /nfs/dbraw/zinc/33/22/02/528332202.db2.gz JSGJYVFUCJGAAL-ZDUSSCGKSA-N 2 2 266.454 3.447 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423248895 528333948 /nfs/dbraw/zinc/33/39/48/528333948.db2.gz RHFLFXSXHWWXSP-CYBMUJFWSA-N 2 2 272.392 3.109 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000423236651 528359603 /nfs/dbraw/zinc/35/96/03/528359603.db2.gz OUJZYYDAGABHIH-QWHCGFSZSA-N 2 2 252.427 3.177 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423391392 528422613 /nfs/dbraw/zinc/42/26/13/528422613.db2.gz PIRMROLZJGFQQA-OLZOCXBDSA-N 2 2 260.381 3.390 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000423375861 528424193 /nfs/dbraw/zinc/42/41/93/528424193.db2.gz IYJSTJLXWGCOJY-BXUZGUMPSA-N 2 2 286.366 3.327 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423318012 528514572 /nfs/dbraw/zinc/51/45/72/528514572.db2.gz YYTNBLJAGCYMPA-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423305706 528514750 /nfs/dbraw/zinc/51/47/50/528514750.db2.gz CIGKZQNYGSBXKG-QGZVFWFLSA-N 2 2 285.435 3.443 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1)C(C)C)C1CC1 ZINC000427684996 528515030 /nfs/dbraw/zinc/51/50/30/528515030.db2.gz JXECXRYVUIKMCI-SFHVURJKSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1)C(C)C)C1CC1 ZINC000427684996 528515037 /nfs/dbraw/zinc/51/50/37/528515037.db2.gz JXECXRYVUIKMCI-SFHVURJKSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423312318 528515914 /nfs/dbraw/zinc/51/59/14/528515914.db2.gz ROENJMAZBYVKFO-LLVKDONJSA-N 2 2 290.329 3.235 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423312630 528516314 /nfs/dbraw/zinc/51/63/14/528516314.db2.gz SEYNWKCKHSADIY-LLVKDONJSA-N 2 2 283.485 3.399 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000423308817 528517726 /nfs/dbraw/zinc/51/77/26/528517726.db2.gz KDROHTLGGCGRJV-MRXNPFEDSA-N 2 2 264.413 3.126 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(F)c1 ZINC000414129586 528586645 /nfs/dbraw/zinc/58/66/45/528586645.db2.gz VFZJCLLWKJHWDR-MRXNPFEDSA-N 2 2 293.361 3.228 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000424183779 528628194 /nfs/dbraw/zinc/62/81/94/528628194.db2.gz WRNUYUNUCMYXCP-BLLLJJGKSA-N 2 2 271.364 3.076 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000178650833 528690876 /nfs/dbraw/zinc/69/08/76/528690876.db2.gz TUKYRGGJRQXIQW-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000178650833 528690883 /nfs/dbraw/zinc/69/08/83/528690883.db2.gz TUKYRGGJRQXIQW-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)o1 ZINC000428254196 528724318 /nfs/dbraw/zinc/72/43/18/528724318.db2.gz UHAKMVFBDADKQL-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)o1 ZINC000428254196 528724327 /nfs/dbraw/zinc/72/43/27/528724327.db2.gz UHAKMVFBDADKQL-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)o1 ZINC000428254196 528724331 /nfs/dbraw/zinc/72/43/31/528724331.db2.gz UHAKMVFBDADKQL-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)o1 ZINC000428254196 528724333 /nfs/dbraw/zinc/72/43/33/528724333.db2.gz UHAKMVFBDADKQL-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OCC ZINC000423297402 528821829 /nfs/dbraw/zinc/82/18/29/528821829.db2.gz KEUMXSYRHUEVFZ-KBPBESRZSA-N 2 2 264.413 3.253 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423391009 528948661 /nfs/dbraw/zinc/94/86/61/528948661.db2.gz OYGRNAZPBHIUME-HZPDHXFCSA-N 2 2 291.414 3.040 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423292336 528954807 /nfs/dbraw/zinc/95/48/07/528954807.db2.gz MOLIBIXJSUTKTE-CQSZACIVSA-N 2 2 284.831 3.135 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411309537 528974458 /nfs/dbraw/zinc/97/44/58/528974458.db2.gz RQWJIXVXOZPJBZ-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411309537 528974464 /nfs/dbraw/zinc/97/44/64/528974464.db2.gz RQWJIXVXOZPJBZ-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000414336998 529021597 /nfs/dbraw/zinc/02/15/97/529021597.db2.gz HYOXCCICOAANCR-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000414336998 529021601 /nfs/dbraw/zinc/02/16/01/529021601.db2.gz HYOXCCICOAANCR-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC)cc1 ZINC000427878223 529023254 /nfs/dbraw/zinc/02/32/54/529023254.db2.gz QEQYCVHETCZKAB-DOTOQJQBSA-N 2 2 299.418 3.338 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC1(C)C ZINC000414069040 529170666 /nfs/dbraw/zinc/17/06/66/529170666.db2.gz RFLKPTOLCSHJCR-HUUCEWRRSA-N 2 2 271.408 3.291 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427124448 529171568 /nfs/dbraw/zinc/17/15/68/529171568.db2.gz RPPRUJPJEYLZGP-XJKSGUPXSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427124448 529171569 /nfs/dbraw/zinc/17/15/69/529171569.db2.gz RPPRUJPJEYLZGP-XJKSGUPXSA-N 2 2 278.827 3.086 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccc1Br ZINC000423484251 529174399 /nfs/dbraw/zinc/17/43/99/529174399.db2.gz YMLBWHXPXUZXSZ-GXFFZTMASA-N 2 2 285.229 3.227 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC000462790498 535313468 /nfs/dbraw/zinc/31/34/68/535313468.db2.gz NNWRHLXDEVPLQP-BSDSXHPESA-N 2 2 296.499 3.148 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000462690829 535822078 /nfs/dbraw/zinc/82/20/78/535822078.db2.gz YHWVMKFOUXYRBA-XHSDSOJGSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000462690829 535822079 /nfs/dbraw/zinc/82/20/79/535822079.db2.gz YHWVMKFOUXYRBA-XHSDSOJGSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)s1 ZINC000045105700 571976033 /nfs/dbraw/zinc/97/60/33/571976033.db2.gz JNFIROIJNFLKHZ-NSHDSACASA-N 2 2 278.425 3.087 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677395 572423426 /nfs/dbraw/zinc/42/34/26/572423426.db2.gz OVSYMRAEWNIOSL-CQSZACIVSA-N 2 2 299.418 3.165 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404195 572750149 /nfs/dbraw/zinc/75/01/49/572750149.db2.gz JNYOMYWDSBHHKN-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404195 572750150 /nfs/dbraw/zinc/75/01/50/572750150.db2.gz JNYOMYWDSBHHKN-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404195 572750154 /nfs/dbraw/zinc/75/01/54/572750154.db2.gz JNYOMYWDSBHHKN-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404195 572750157 /nfs/dbraw/zinc/75/01/57/572750157.db2.gz JNYOMYWDSBHHKN-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000749123673 572989611 /nfs/dbraw/zinc/98/96/11/572989611.db2.gz JFFLFYBYZFPGEY-AWEZNQCLSA-N 2 2 284.407 3.326 20 0 CGADLP C[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750046978 573077895 /nfs/dbraw/zinc/07/78/95/573077895.db2.gz KSIFMFNTXGNGBI-CQSZACIVSA-N 2 2 270.380 3.032 20 0 CGADLP C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750046978 573077901 /nfs/dbraw/zinc/07/79/01/573077901.db2.gz KSIFMFNTXGNGBI-CQSZACIVSA-N 2 2 270.380 3.032 20 0 CGADLP C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000932925294 618092099 /nfs/dbraw/zinc/09/20/99/618092099.db2.gz ORNFONPTTAGMDY-INIZCTEOSA-N 2 2 289.448 3.432 20 0 CGADLP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000932925294 618092103 /nfs/dbraw/zinc/09/21/03/618092103.db2.gz ORNFONPTTAGMDY-INIZCTEOSA-N 2 2 289.448 3.432 20 0 CGADLP COc1cccc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000090721316 618169771 /nfs/dbraw/zinc/16/97/71/618169771.db2.gz INNNUYSYVTZIPM-GXTWGEPZSA-N 2 2 288.391 3.014 20 0 CGADLP COc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000090721316 618169777 /nfs/dbraw/zinc/16/97/77/618169777.db2.gz INNNUYSYVTZIPM-GXTWGEPZSA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000891724553 618264053 /nfs/dbraw/zinc/26/40/53/618264053.db2.gz FOKBJPQJGBIKMB-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000891724553 618264057 /nfs/dbraw/zinc/26/40/57/618264057.db2.gz FOKBJPQJGBIKMB-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H]1Cc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2O1 ZINC000891847439 618337827 /nfs/dbraw/zinc/33/78/27/618337827.db2.gz YXORQZOKZHLPPV-CYBMUJFWSA-N 2 2 297.402 3.113 20 0 CGADLP COCCCC1(C[NH2+][C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC000892552946 618861331 /nfs/dbraw/zinc/86/13/31/618861331.db2.gz GRNDHYKJBQWBMJ-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892591131 618868947 /nfs/dbraw/zinc/86/89/47/618868947.db2.gz CJLISKBAXWFFGG-OKILXGFUSA-N 2 2 293.455 3.003 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892591131 618868949 /nfs/dbraw/zinc/86/89/49/618868949.db2.gz CJLISKBAXWFFGG-OKILXGFUSA-N 2 2 293.455 3.003 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000925583178 619073992 /nfs/dbraw/zinc/07/39/92/619073992.db2.gz JSPDKSSXYZYQCN-GXTWGEPZSA-N 2 2 266.454 3.196 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925603878 619082221 /nfs/dbraw/zinc/08/22/21/619082221.db2.gz FNXALHFHONVILR-DAXOMENPSA-N 2 2 291.439 3.001 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925603878 619082224 /nfs/dbraw/zinc/08/22/24/619082224.db2.gz FNXALHFHONVILR-DAXOMENPSA-N 2 2 291.439 3.001 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000054111311 619264212 /nfs/dbraw/zinc/26/42/12/619264212.db2.gz IYUNJYKDMUTYKN-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000054111311 619264216 /nfs/dbraw/zinc/26/42/16/619264216.db2.gz IYUNJYKDMUTYKN-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@H+](Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000261553584 619288913 /nfs/dbraw/zinc/28/89/13/619288913.db2.gz OBGONKKXYZVUML-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP CCC[N@@H+](Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000261553584 619288914 /nfs/dbraw/zinc/28/89/14/619288914.db2.gz OBGONKKXYZVUML-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP C[C@H]1CC[C@H](C)C1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924925541 619443165 /nfs/dbraw/zinc/44/31/65/619443165.db2.gz HBVZLIKDIFHEAO-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000894573954 619579949 /nfs/dbraw/zinc/57/99/49/619579949.db2.gz YHLLKIDOEORYCE-LBPRGKRZSA-N 2 2 291.420 3.115 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000894573954 619579953 /nfs/dbraw/zinc/57/99/53/619579953.db2.gz YHLLKIDOEORYCE-LBPRGKRZSA-N 2 2 291.420 3.115 20 0 CGADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110796 619733843 /nfs/dbraw/zinc/73/38/43/619733843.db2.gz XRHNBGIFOXEVLQ-KLHDSHLOSA-N 2 2 273.424 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc(F)c2)c2cccc[nH+]2)CC1 ZINC000895110971 619734253 /nfs/dbraw/zinc/73/42/53/619734253.db2.gz FUSFUVDSVXIXKM-QAQDUYKDSA-N 2 2 299.393 3.497 20 0 CGADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000897438919 620335493 /nfs/dbraw/zinc/33/54/93/620335493.db2.gz KVQXHINVIJNUIG-UHFFFAOYSA-N 2 2 275.421 3.460 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2OC)[C@H](C)C1 ZINC000897482407 620349146 /nfs/dbraw/zinc/34/91/46/620349146.db2.gz RSMJZVWOTWUWLH-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2OC)[C@H](C)C1 ZINC000897482407 620349149 /nfs/dbraw/zinc/34/91/49/620349149.db2.gz RSMJZVWOTWUWLH-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753525 620389751 /nfs/dbraw/zinc/38/97/51/620389751.db2.gz DFFXDHLMXINDDD-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753525 620389756 /nfs/dbraw/zinc/38/97/56/620389756.db2.gz DFFXDHLMXINDDD-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000898034221 620470845 /nfs/dbraw/zinc/47/08/45/620470845.db2.gz KMFSLNGMADMXTR-CHWSQXEVSA-N 2 2 292.389 3.429 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000898034221 620470850 /nfs/dbraw/zinc/47/08/50/620470850.db2.gz KMFSLNGMADMXTR-CHWSQXEVSA-N 2 2 292.389 3.429 20 0 CGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(SC)cc1)C[NH+](C)C ZINC000926965359 620556802 /nfs/dbraw/zinc/55/68/02/620556802.db2.gz QFGLKNVDUOQXKO-HIFRSBDPSA-N 2 2 296.480 3.026 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902317444 621251909 /nfs/dbraw/zinc/25/19/09/621251909.db2.gz DYHCWARUMYKHPM-RYUDHWBXSA-N 2 2 281.469 3.134 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CCCO2 ZINC000902414617 621323687 /nfs/dbraw/zinc/32/36/87/621323687.db2.gz YNPGGQVQZUVBAN-HNNXBMFYSA-N 2 2 274.408 3.105 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902470743 621341488 /nfs/dbraw/zinc/34/14/88/621341488.db2.gz GJLMBCMTAOPTGE-VVLHAWIVSA-N 2 2 258.409 3.256 20 0 CGADLP c1ccc(NCCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)[nH+]c1 ZINC000902789414 621446636 /nfs/dbraw/zinc/44/66/36/621446636.db2.gz JVNVTMBPXONRQQ-GJZGRUSLSA-N 2 2 273.424 3.442 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902999308 621523885 /nfs/dbraw/zinc/52/38/85/621523885.db2.gz APAQASFLOUZOSH-CZUORRHYSA-N 2 2 287.407 3.072 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902999304 621524307 /nfs/dbraw/zinc/52/43/07/621524307.db2.gz APAQASFLOUZOSH-BBRMVZONSA-N 2 2 287.407 3.072 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000903340473 621696300 /nfs/dbraw/zinc/69/63/00/621696300.db2.gz IAMDUKLRJPWLIU-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000903340473 621696305 /nfs/dbraw/zinc/69/63/05/621696305.db2.gz IAMDUKLRJPWLIU-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441261 621750049 /nfs/dbraw/zinc/75/00/49/621750049.db2.gz JZVACRYWPAFYBB-AGIUHOORSA-N 2 2 289.448 3.145 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441261 621750053 /nfs/dbraw/zinc/75/00/53/621750053.db2.gz JZVACRYWPAFYBB-AGIUHOORSA-N 2 2 289.448 3.145 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903751029 621800525 /nfs/dbraw/zinc/80/05/25/621800525.db2.gz BPHCHZPAPJUOKX-SJORKVTESA-N 2 2 276.399 3.263 20 0 CGADLP FCc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903751029 621800526 /nfs/dbraw/zinc/80/05/26/621800526.db2.gz BPHCHZPAPJUOKX-SJORKVTESA-N 2 2 276.399 3.263 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858868 621821760 /nfs/dbraw/zinc/82/17/60/621821760.db2.gz JQJHRGXSVBRWSD-QAPCUYQASA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858868 621821761 /nfs/dbraw/zinc/82/17/61/621821761.db2.gz JQJHRGXSVBRWSD-QAPCUYQASA-N 2 2 287.451 3.081 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890131 621823394 /nfs/dbraw/zinc/82/33/94/621823394.db2.gz YNOBXVQUOOBAGO-HUUCEWRRSA-N 2 2 282.378 3.066 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890131 621823398 /nfs/dbraw/zinc/82/33/98/621823398.db2.gz YNOBXVQUOOBAGO-HUUCEWRRSA-N 2 2 282.378 3.066 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000903948379 621840650 /nfs/dbraw/zinc/84/06/50/621840650.db2.gz OVXVXJQGLFUDDU-UOJCXKCYSA-N 2 2 276.399 3.132 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC000904380515 621916844 /nfs/dbraw/zinc/91/68/44/621916844.db2.gz DIMOFKINLGGNSI-IYBDPMFKSA-N 2 2 298.352 3.195 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C(F)F)c(F)c1)C2 ZINC000904380515 621916849 /nfs/dbraw/zinc/91/68/49/621916849.db2.gz DIMOFKINLGGNSI-IYBDPMFKSA-N 2 2 298.352 3.195 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904385906 621917480 /nfs/dbraw/zinc/91/74/80/621917480.db2.gz JLDATVRPXATMNW-UHFFFAOYSA-N 2 2 286.341 3.467 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C[NH+]1CCCC1 ZINC000057994460 622895806 /nfs/dbraw/zinc/89/58/06/622895806.db2.gz HKQZXQYKFFVSAR-IIAWOOMASA-N 2 2 276.424 3.225 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000157353917 622899565 /nfs/dbraw/zinc/89/95/65/622899565.db2.gz XBODRMANKNDUPX-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)Cn1cc[nH+]c1 ZINC000062254320 623211405 /nfs/dbraw/zinc/21/14/05/623211405.db2.gz BLOXACSJULMNID-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191700 623304516 /nfs/dbraw/zinc/30/45/16/623304516.db2.gz MDHZYVGLOFOHFD-FZMZJTMJSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191700 623304523 /nfs/dbraw/zinc/30/45/23/623304523.db2.gz MDHZYVGLOFOHFD-FZMZJTMJSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000182628942 625021572 /nfs/dbraw/zinc/02/15/72/625021572.db2.gz GXQVYSCFJSUYOB-OAHLLOKOSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000184833192 625275757 /nfs/dbraw/zinc/27/57/57/625275757.db2.gz MEGVKZNGQJHGRH-NSHDSACASA-N 2 2 284.831 3.284 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccccc2s1 ZINC000020307937 634525718 /nfs/dbraw/zinc/52/57/18/634525718.db2.gz ZNIGVHKEHHFPIH-GFCCVEGCSA-N 2 2 286.404 3.234 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1Cl ZINC000765040467 627237845 /nfs/dbraw/zinc/23/78/45/627237845.db2.gz WGKLTVFTSCIQND-YNEHKIRRSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1Cl ZINC000765040467 627237848 /nfs/dbraw/zinc/23/78/48/627237848.db2.gz WGKLTVFTSCIQND-YNEHKIRRSA-N 2 2 279.815 3.012 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000765873637 627276320 /nfs/dbraw/zinc/27/63/20/627276320.db2.gz OUPNREWEDBRKPR-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000765873637 627276325 /nfs/dbraw/zinc/27/63/25/627276325.db2.gz OUPNREWEDBRKPR-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CSC(C)(C)C ZINC000765943037 627279902 /nfs/dbraw/zinc/27/99/02/627279902.db2.gz AVWXABATQHURFR-CYBMUJFWSA-N 2 2 260.491 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CSC(C)(C)C ZINC000765943037 627279904 /nfs/dbraw/zinc/27/99/04/627279904.db2.gz AVWXABATQHURFR-CYBMUJFWSA-N 2 2 260.491 3.228 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000766271820 627309774 /nfs/dbraw/zinc/30/97/74/627309774.db2.gz VMPYVZDWGFBGLV-RHSMWYFYSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000766271820 627309779 /nfs/dbraw/zinc/30/97/79/627309779.db2.gz VMPYVZDWGFBGLV-RHSMWYFYSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000766275636 627311044 /nfs/dbraw/zinc/31/10/44/627311044.db2.gz YAMLEOQSARUBHS-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000766275636 627311046 /nfs/dbraw/zinc/31/10/46/627311046.db2.gz YAMLEOQSARUBHS-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353151 627614686 /nfs/dbraw/zinc/61/46/86/627614686.db2.gz SAJGKMOAFCCBJG-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353151 627614690 /nfs/dbraw/zinc/61/46/90/627614690.db2.gz SAJGKMOAFCCBJG-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353151 627614695 /nfs/dbraw/zinc/61/46/95/627614695.db2.gz SAJGKMOAFCCBJG-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353151 627614698 /nfs/dbraw/zinc/61/46/98/627614698.db2.gz SAJGKMOAFCCBJG-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772443863 627791243 /nfs/dbraw/zinc/79/12/43/627791243.db2.gz JTKXKQNJWJTPDK-GDBMZVCRSA-N 2 2 286.423 3.352 20 0 CGADLP FCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000777616727 628289655 /nfs/dbraw/zinc/28/96/55/628289655.db2.gz DWLLZYPCWMTHJT-HNNXBMFYSA-N 2 2 273.355 3.259 20 0 CGADLP FCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000777616727 628289656 /nfs/dbraw/zinc/28/96/56/628289656.db2.gz DWLLZYPCWMTHJT-HNNXBMFYSA-N 2 2 273.355 3.259 20 0 CGADLP C[C@@H](CCO)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000779349073 628409571 /nfs/dbraw/zinc/40/95/71/628409571.db2.gz VMEJKLJDWHTQFR-HOTGVXAUSA-N 2 2 290.451 3.011 20 0 CGADLP Cl/C=C/C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031762 628674095 /nfs/dbraw/zinc/67/40/95/628674095.db2.gz KBATWGODRRQHRO-QHHAFSJGSA-N 2 2 267.804 3.128 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279656 628697779 /nfs/dbraw/zinc/69/77/79/628697779.db2.gz ZUEGUNCVRHZQOR-KSSFIOAISA-N 2 2 287.451 3.427 20 0 CGADLP Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000784256368 628799422 /nfs/dbraw/zinc/79/94/22/628799422.db2.gz YGBYXBXFCBTRMU-GFCCVEGCSA-N 2 2 276.428 3.078 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790748976 629227769 /nfs/dbraw/zinc/22/77/69/629227769.db2.gz STEYCACHASQXPH-CYBMUJFWSA-N 2 2 293.455 3.318 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC(F)(F)C1 ZINC000862273297 629335727 /nfs/dbraw/zinc/33/57/27/629335727.db2.gz WUYZGWHGYJDNLG-AAEUAGOBSA-N 2 2 285.382 3.321 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(SC(F)F)cc2)C[NH2+]1 ZINC000863484835 629586761 /nfs/dbraw/zinc/58/67/61/629586761.db2.gz NPVFDPBQNPFTPK-ZYHUDNBSSA-N 2 2 286.391 3.231 20 0 CGADLP C1=CO[C@@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000799736487 630228469 /nfs/dbraw/zinc/22/84/69/630228469.db2.gz VBJNRCYGBJLKHY-QGZVFWFLSA-N 2 2 292.467 3.315 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000800473957 630283023 /nfs/dbraw/zinc/28/30/23/630283023.db2.gz FAIMQYFXGPDMAZ-WMZOPIPTSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000802303509 630395558 /nfs/dbraw/zinc/39/55/58/630395558.db2.gz IWLQUULHHGCVTB-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000802303509 630395560 /nfs/dbraw/zinc/39/55/60/630395560.db2.gz IWLQUULHHGCVTB-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000806131825 630545943 /nfs/dbraw/zinc/54/59/43/630545943.db2.gz PEGUOGUKIHHMGX-ILXRZTDVSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc21 ZINC000808698260 630666599 /nfs/dbraw/zinc/66/65/99/630666599.db2.gz LFUWAAXDTVKSLE-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc21 ZINC000808698260 630666601 /nfs/dbraw/zinc/66/66/01/630666601.db2.gz LFUWAAXDTVKSLE-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817897129 632231534 /nfs/dbraw/zinc/23/15/34/632231534.db2.gz FYFSPANLRMTPJA-SJORKVTESA-N 2 2 270.351 3.369 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817954999 632249865 /nfs/dbraw/zinc/24/98/65/632249865.db2.gz OAZXUVWGMDZESI-GUYCJALGSA-N 2 2 272.367 3.485 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000817954984 632250247 /nfs/dbraw/zinc/25/02/47/632250247.db2.gz NWFMYASUNYCPKZ-RDTXWAMCSA-N 2 2 284.403 3.436 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000817981742 632271718 /nfs/dbraw/zinc/27/17/18/632271718.db2.gz NJRNXYXBVSUBMZ-KBXCAEBGSA-N 2 2 298.434 3.040 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccco1 ZINC000820805187 632678543 /nfs/dbraw/zinc/67/85/43/632678543.db2.gz GBJLOUXAVSSMOT-KRWDZBQOSA-N 2 2 295.386 3.358 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000866213319 633030655 /nfs/dbraw/zinc/03/06/55/633030655.db2.gz UBCUBMJWHOPIJG-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000866347221 633092082 /nfs/dbraw/zinc/09/20/82/633092082.db2.gz GDCWUJUWYXSCBA-INIZCTEOSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000866347221 633092085 /nfs/dbraw/zinc/09/20/85/633092085.db2.gz GDCWUJUWYXSCBA-INIZCTEOSA-N 2 2 289.467 3.114 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000872022653 633943817 /nfs/dbraw/zinc/94/38/17/633943817.db2.gz KNAQPHZSIHAOBB-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000872022653 633943823 /nfs/dbraw/zinc/94/38/23/633943823.db2.gz KNAQPHZSIHAOBB-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230196 634292648 /nfs/dbraw/zinc/29/26/48/634292648.db2.gz NHSCEZFBPVNUET-DZGCQCFKSA-N 2 2 298.402 3.376 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000876596230 634864264 /nfs/dbraw/zinc/86/42/64/634864264.db2.gz PLMHLVVPTFRNQQ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1C[C@H]1C ZINC000840741591 635045405 /nfs/dbraw/zinc/04/54/05/635045405.db2.gz ZPEYCQKWENOQEK-JLSDUUJJSA-N 2 2 287.451 3.285 20 0 CGADLP Cc1cc(C)cc(CC[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000877527965 635073786 /nfs/dbraw/zinc/07/37/86/635073786.db2.gz PTJWZSHQLGZNOR-UHFFFAOYSA-N 2 2 271.408 3.065 20 0 CGADLP Cc1cc(C)cc(CC[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000877527965 635073790 /nfs/dbraw/zinc/07/37/90/635073790.db2.gz PTJWZSHQLGZNOR-UHFFFAOYSA-N 2 2 271.408 3.065 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2c(F)cccc2c1 ZINC000877528173 635073798 /nfs/dbraw/zinc/07/37/98/635073798.db2.gz UWTUYLSCBGSUBG-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2c(F)cccc2c1 ZINC000877528173 635073801 /nfs/dbraw/zinc/07/38/01/635073801.db2.gz UWTUYLSCBGSUBG-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136313 635920315 /nfs/dbraw/zinc/92/03/15/635920315.db2.gz JVPMTIKANSGHNU-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136313 635920316 /nfs/dbraw/zinc/92/03/16/635920316.db2.gz JVPMTIKANSGHNU-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136313 635920318 /nfs/dbraw/zinc/92/03/18/635920318.db2.gz JVPMTIKANSGHNU-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136313 635920319 /nfs/dbraw/zinc/92/03/19/635920319.db2.gz JVPMTIKANSGHNU-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136311 635921542 /nfs/dbraw/zinc/92/15/42/635921542.db2.gz JVPMTIKANSGHNU-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136311 635921546 /nfs/dbraw/zinc/92/15/46/635921546.db2.gz JVPMTIKANSGHNU-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136311 635921550 /nfs/dbraw/zinc/92/15/50/635921550.db2.gz JVPMTIKANSGHNU-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136311 635921552 /nfs/dbraw/zinc/92/15/52/635921552.db2.gz JVPMTIKANSGHNU-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000880472835 636007084 /nfs/dbraw/zinc/00/70/84/636007084.db2.gz FEHDBDYKQHPQGW-QGZVFWFLSA-N 2 2 288.410 3.373 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472714 636007288 /nfs/dbraw/zinc/00/72/88/636007288.db2.gz ZHZJZBCBVBUCNO-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP CC1(C)CC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569624 636022850 /nfs/dbraw/zinc/02/28/50/636022850.db2.gz MWXCLSBBROHDTH-IAGOWNOFSA-N 2 2 299.418 3.172 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129449301 636261801 /nfs/dbraw/zinc/26/18/01/636261801.db2.gz YRFOPRBWSAVYJO-ZIAGYGMSSA-N 2 2 263.429 3.466 20 0 CGADLP c1ccc2ncc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000848575458 636613046 /nfs/dbraw/zinc/61/30/46/636613046.db2.gz QXRJUDAZALXACQ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000848575458 636613048 /nfs/dbraw/zinc/61/30/48/636613048.db2.gz QXRJUDAZALXACQ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[NH2+]C1CCCC1 ZINC000883346097 636690378 /nfs/dbraw/zinc/69/03/78/636690378.db2.gz RRQGSADIDCCYMR-GOSISDBHSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[NH2+]C1CCCC1 ZINC000883346097 636690383 /nfs/dbraw/zinc/69/03/83/636690383.db2.gz RRQGSADIDCCYMR-GOSISDBHSA-N 2 2 285.435 3.326 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@H]2CCCSC2)c2ccccc2)c[nH+]1 ZINC000883386363 636728298 /nfs/dbraw/zinc/72/82/98/636728298.db2.gz DSGNSQOZVCSNNS-JKSUJKDBSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387728 636728961 /nfs/dbraw/zinc/72/89/61/636728961.db2.gz CVYBTABEEQXKPM-VNQPRFMTSA-N 2 2 255.365 3.013 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)nc1Cl ZINC000883455231 636759651 /nfs/dbraw/zinc/75/96/51/636759651.db2.gz YEUGDROWSBVZJY-UHFFFAOYSA-N 2 2 281.831 3.137 20 0 CGADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)nc1Cl ZINC000883455231 636759656 /nfs/dbraw/zinc/75/96/56/636759656.db2.gz YEUGDROWSBVZJY-UHFFFAOYSA-N 2 2 281.831 3.137 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885922480 637312971 /nfs/dbraw/zinc/31/29/71/637312971.db2.gz CKEDGDHKJXNLRX-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923280 637313732 /nfs/dbraw/zinc/31/37/32/637313732.db2.gz VUFWNWAPTYDQEU-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923280 637313734 /nfs/dbraw/zinc/31/37/34/637313734.db2.gz VUFWNWAPTYDQEU-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1Cl ZINC000886874345 637715299 /nfs/dbraw/zinc/71/52/99/637715299.db2.gz MCEJHSCXLXVHKR-MRXNPFEDSA-N 2 2 293.842 3.009 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nc1Cl ZINC000886874345 637715306 /nfs/dbraw/zinc/71/53/06/637715306.db2.gz MCEJHSCXLXVHKR-MRXNPFEDSA-N 2 2 293.842 3.009 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000300411690 637837636 /nfs/dbraw/zinc/83/76/36/637837636.db2.gz PEBJIZPNDWTARF-FXUDXRNXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000300411690 637837640 /nfs/dbraw/zinc/83/76/40/637837640.db2.gz PEBJIZPNDWTARF-FXUDXRNXSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000925051763 638444023 /nfs/dbraw/zinc/44/40/23/638444023.db2.gz MABAMPNXWFNEAT-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000925051763 638444027 /nfs/dbraw/zinc/44/40/27/638444027.db2.gz MABAMPNXWFNEAT-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925058160 638445177 /nfs/dbraw/zinc/44/51/77/638445177.db2.gz RQVGNOQJXXNHNM-UXLLHSPISA-N 2 2 290.451 3.130 20 0 CGADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Cl)s1 ZINC000925489124 638509977 /nfs/dbraw/zinc/50/99/77/638509977.db2.gz NZHLVJUMNZPVKO-CIBUELKQSA-N 2 2 296.867 3.439 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCNc1ccccc1)c1ccccc1 ZINC000925504177 638512772 /nfs/dbraw/zinc/51/27/72/638512772.db2.gz MQYMSIOKYKVBKZ-YJBOKZPZSA-N 2 2 283.419 3.167 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925528580 638520006 /nfs/dbraw/zinc/52/00/06/638520006.db2.gz FUSDXVFXOHPLBV-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925579675 638535965 /nfs/dbraw/zinc/53/59/65/638535965.db2.gz NVBBCHVVWKHTEA-GDBMZVCRSA-N 2 2 288.460 3.488 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925607110 638544038 /nfs/dbraw/zinc/54/40/38/638544038.db2.gz NSTLZUGVYWJYBO-PEBVRCNWSA-N 2 2 287.407 3.073 20 0 CGADLP C[C@@H]([NH3+])[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000925693161 638570728 /nfs/dbraw/zinc/57/07/28/638570728.db2.gz OUXZCUDBDGBTCQ-PXAZEXFGSA-N 2 2 267.376 3.155 20 0 CGADLP CCSc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925731456 638586498 /nfs/dbraw/zinc/58/64/98/638586498.db2.gz KWWIPGZATRHCNV-HNNXBMFYSA-N 2 2 276.449 3.173 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c2ccccc12 ZINC000925786386 638614269 /nfs/dbraw/zinc/61/42/69/638614269.db2.gz OGCKYSXUBFVHGM-PBFPGSCMSA-N 2 2 284.403 3.107 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858151064 638645373 /nfs/dbraw/zinc/64/53/73/638645373.db2.gz RMBSYHUPYOJDTI-JVPBZIDWSA-N 2 2 299.462 3.285 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450519 638772770 /nfs/dbraw/zinc/77/27/70/638772770.db2.gz OALNKYREXAMFAN-IOASZLSFSA-N 2 2 273.424 3.382 20 0 CGADLP C[C@@H]([NH2+]CC(C)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926487241 638776282 /nfs/dbraw/zinc/77/62/82/638776282.db2.gz UIMZOARBXFRJBE-LLVKDONJSA-N 2 2 256.340 3.054 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H]1c1cccnc1 ZINC000926580822 638787802 /nfs/dbraw/zinc/78/78/02/638787802.db2.gz YVDDGPOLQYFGRN-PTIUUAQKSA-N 2 2 297.446 3.019 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H]1c1cccnc1 ZINC000926580822 638787804 /nfs/dbraw/zinc/78/78/04/638787804.db2.gz YVDDGPOLQYFGRN-PTIUUAQKSA-N 2 2 297.446 3.019 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cl)CC1 ZINC000926866500 638819471 /nfs/dbraw/zinc/81/94/71/638819471.db2.gz XTVBWESUBXVXES-DZGCQCFKSA-N 2 2 289.810 3.374 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779654 638950268 /nfs/dbraw/zinc/95/02/68/638950268.db2.gz GYIXLVOWKCZNHH-DOTOQJQBSA-N 2 2 275.440 3.003 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779654 638950270 /nfs/dbraw/zinc/95/02/70/638950270.db2.gz GYIXLVOWKCZNHH-DOTOQJQBSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779654 638950272 /nfs/dbraw/zinc/95/02/72/638950272.db2.gz GYIXLVOWKCZNHH-DOTOQJQBSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779654 638950274 /nfs/dbraw/zinc/95/02/74/638950274.db2.gz GYIXLVOWKCZNHH-DOTOQJQBSA-N 2 2 275.440 3.003 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779656 638950665 /nfs/dbraw/zinc/95/06/65/638950665.db2.gz GYIXLVOWKCZNHH-RDJZCZTQSA-N 2 2 275.440 3.003 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779656 638950666 /nfs/dbraw/zinc/95/06/66/638950666.db2.gz GYIXLVOWKCZNHH-RDJZCZTQSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779656 638950667 /nfs/dbraw/zinc/95/06/67/638950667.db2.gz GYIXLVOWKCZNHH-RDJZCZTQSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C[C@@H]1C ZINC000929779656 638950668 /nfs/dbraw/zinc/95/06/68/638950668.db2.gz GYIXLVOWKCZNHH-RDJZCZTQSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000930369090 638993463 /nfs/dbraw/zinc/99/34/63/638993463.db2.gz XYBCEOMBRKGGHM-NWDGAFQWSA-N 2 2 288.222 3.042 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000930369090 638993464 /nfs/dbraw/zinc/99/34/64/638993464.db2.gz XYBCEOMBRKGGHM-NWDGAFQWSA-N 2 2 288.222 3.042 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931022824 639100198 /nfs/dbraw/zinc/10/01/98/639100198.db2.gz TUWKZFWHVKMZLI-HUUCEWRRSA-N 2 2 291.439 3.242 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931513245 639162629 /nfs/dbraw/zinc/16/26/29/639162629.db2.gz SRPSPALBURAKEX-CYBMUJFWSA-N 2 2 267.376 3.092 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931513245 639162634 /nfs/dbraw/zinc/16/26/34/639162634.db2.gz SRPSPALBURAKEX-CYBMUJFWSA-N 2 2 267.376 3.092 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](Cc2ccccc2)C(C)C)c(C)[nH+]1 ZINC000931743065 639199050 /nfs/dbraw/zinc/19/90/50/639199050.db2.gz UOIVOLYMFNBFPG-MRXNPFEDSA-N 2 2 271.408 3.383 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000251657992 640830622 /nfs/dbraw/zinc/83/06/22/640830622.db2.gz GWTGKFQXOFMBOQ-XHSDSOJGSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cc(N2CCC(C[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001165042613 721945122 /nfs/dbraw/zinc/94/51/22/721945122.db2.gz VGWGPDSDLWDWGE-UHFFFAOYSA-N 2 2 283.419 3.321 20 0 CGADLP c1cn(-c2cccc(Nc3ccc4c[nH+]cn4c3)c2)c[nH+]1 ZINC001250328681 805574213 /nfs/dbraw/zinc/57/42/13/805574213.db2.gz YEYMOWADNPVZRU-UHFFFAOYSA-N 2 2 275.315 3.264 20 0 CGADLP C[NH+]1CCC2(CCN(c3cccc(C4CC4)[nH+]3)CC2)CC1 ZINC001156582721 805717322 /nfs/dbraw/zinc/71/73/22/805717322.db2.gz STLFABCLQUTPMU-UHFFFAOYSA-N 2 2 285.435 3.271 20 0 CGADLP COc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158270834 805933843 /nfs/dbraw/zinc/93/38/43/805933843.db2.gz VOONZDLZFSJQTO-BLLLJJGKSA-N 2 2 277.412 3.046 20 0 CGADLP c1cn(-c2ccccc2Nc2ccc3c(c2)CC[NH2+]C3)c[nH+]1 ZINC001159448494 806103930 /nfs/dbraw/zinc/10/39/30/806103930.db2.gz XOUMFJKWTPPRDF-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP c1cn2ccc(Nc3ccc([C@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001159776675 806171704 /nfs/dbraw/zinc/17/17/04/806171704.db2.gz VPZZOWGGUVPFKY-AWEZNQCLSA-N 2 2 278.359 3.155 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC001159982306 806208555 /nfs/dbraw/zinc/20/85/55/806208555.db2.gz RNIZPKPPGZGNRQ-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP COc1cc[nH+]c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1 ZINC001160683296 806293943 /nfs/dbraw/zinc/29/39/43/806293943.db2.gz PBOFSWDBAKJBPX-LBPRGKRZSA-N 2 2 282.347 3.219 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254451378 806405041 /nfs/dbraw/zinc/40/50/41/806405041.db2.gz QCYLHMGBKBKKGY-GOSISDBHSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254451378 806405048 /nfs/dbraw/zinc/40/50/48/806405048.db2.gz QCYLHMGBKBKKGY-GOSISDBHSA-N 2 2 272.436 3.006 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254831077 806492406 /nfs/dbraw/zinc/49/24/06/806492406.db2.gz KKNWJNIUDXSSQH-GOSISDBHSA-N 2 2 280.415 3.414 20 0 CGADLP C1CC[C@@H]2[C@H](C1)CCC[C@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840127 806494787 /nfs/dbraw/zinc/49/47/87/806494787.db2.gz CHJYTPSTSZZAKD-XMTFNYHQSA-N 2 2 276.468 3.419 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc(Cl)c1 ZINC001254849882 806498152 /nfs/dbraw/zinc/49/81/52/806498152.db2.gz ZDWZJXOCSMMBFM-MLGOLLRUSA-N 2 2 278.827 3.475 20 0 CGADLP Cc1ccc2cc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]cc2c1 ZINC001162393452 806574903 /nfs/dbraw/zinc/57/49/03/806574903.db2.gz VKHCHXQRGZNSIU-CABCVRRESA-N 2 2 255.365 3.225 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc(OC(F)F)[nH+]1 ZINC001162472447 806593730 /nfs/dbraw/zinc/59/37/30/806593730.db2.gz XPXCLLYROGIHHK-CMPLNLGQSA-N 2 2 299.365 3.039 20 0 CGADLP Cc1cc(-n2c3ccccc3nc2[C@H](C)[NH3+])c2[nH+]ccn2c1 ZINC001162765492 806660583 /nfs/dbraw/zinc/66/05/83/806660583.db2.gz HRXJWGOHUYJONG-LBPRGKRZSA-N 2 2 291.358 3.001 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981724 806689402 /nfs/dbraw/zinc/68/94/02/806689402.db2.gz OOLBBECXCPSOOV-UHFFFAOYSA-N 2 2 281.403 3.487 20 0 CGADLP COc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156187 798859808 /nfs/dbraw/zinc/85/98/08/798859808.db2.gz NTKFRZFZWFGYSA-MRXNPFEDSA-N 2 2 287.407 3.096 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)o1 ZINC000037509488 798869330 /nfs/dbraw/zinc/86/93/30/798869330.db2.gz JFIBNMCOXJKYRG-GFCCVEGCSA-N 2 2 281.787 3.334 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3s2)CC1 ZINC000037978972 798880808 /nfs/dbraw/zinc/88/08/08/798880808.db2.gz RTNKPGPOJNUOES-LBPRGKRZSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000163875135 799083106 /nfs/dbraw/zinc/08/31/06/799083106.db2.gz UKHQIDFNRDZWDA-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000163875135 799083112 /nfs/dbraw/zinc/08/31/12/799083112.db2.gz UKHQIDFNRDZWDA-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255725191 806720509 /nfs/dbraw/zinc/72/05/09/806720509.db2.gz VTLLHXBIXMHNET-QWHCGFSZSA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255725191 806720514 /nfs/dbraw/zinc/72/05/14/806720514.db2.gz VTLLHXBIXMHNET-QWHCGFSZSA-N 2 2 289.345 3.326 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000389198896 799461000 /nfs/dbraw/zinc/46/10/00/799461000.db2.gz YFGGXYYPKIUJSA-HZMVEIRTSA-N 2 2 264.457 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000389198896 799461001 /nfs/dbraw/zinc/46/10/01/799461001.db2.gz YFGGXYYPKIUJSA-HZMVEIRTSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255855450 806770513 /nfs/dbraw/zinc/77/05/13/806770513.db2.gz BDCNEIZIFBMJBZ-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255855450 806770516 /nfs/dbraw/zinc/77/05/16/806770516.db2.gz BDCNEIZIFBMJBZ-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000689579988 799766710 /nfs/dbraw/zinc/76/67/10/799766710.db2.gz FQSUEYQRMUDJJT-DZGCQCFKSA-N 2 2 287.432 3.246 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccc(CSC(F)F)o1)[NH+](C)C ZINC000697927938 799851112 /nfs/dbraw/zinc/85/11/12/799851112.db2.gz PYHYFMNURSHDNG-JTQLQIEISA-N 2 2 292.395 3.165 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000708861626 799997956 /nfs/dbraw/zinc/99/79/56/799997956.db2.gz INVSDEBPNUJZPL-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000708861626 799997960 /nfs/dbraw/zinc/99/79/60/799997960.db2.gz INVSDEBPNUJZPL-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC001255964395 806801899 /nfs/dbraw/zinc/80/18/99/806801899.db2.gz RUUWGWIJHXRYAX-OAHLLOKOSA-N 2 2 263.429 3.024 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC001255964395 806801908 /nfs/dbraw/zinc/80/19/08/806801908.db2.gz RUUWGWIJHXRYAX-OAHLLOKOSA-N 2 2 263.429 3.024 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](Cc1ccco1)C1CC1 ZINC001255965411 806802359 /nfs/dbraw/zinc/80/23/59/806802359.db2.gz GEIHIPPOJBFQRK-AWEZNQCLSA-N 2 2 264.413 3.364 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1ccco1)C1CC1 ZINC001255965411 806802369 /nfs/dbraw/zinc/80/23/69/806802369.db2.gz GEIHIPPOJBFQRK-AWEZNQCLSA-N 2 2 264.413 3.364 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713217433 800106108 /nfs/dbraw/zinc/10/61/08/800106108.db2.gz PYWBIJRZKFTKKG-UHFFFAOYSA-N 2 2 264.800 3.058 20 0 CGADLP Clc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713217433 800106118 /nfs/dbraw/zinc/10/61/18/800106118.db2.gz PYWBIJRZKFTKKG-UHFFFAOYSA-N 2 2 264.800 3.058 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073373 806812494 /nfs/dbraw/zinc/81/24/94/806812494.db2.gz SYFVKUHJHRIDLD-AWEZNQCLSA-N 2 2 270.420 3.233 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073373 806812502 /nfs/dbraw/zinc/81/25/02/806812502.db2.gz SYFVKUHJHRIDLD-AWEZNQCLSA-N 2 2 270.420 3.233 20 0 CGADLP FC1CC2(C1)CCC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256081132 806817093 /nfs/dbraw/zinc/81/70/93/806817093.db2.gz PMVKDWOTCKHVFO-UHFFFAOYSA-N 2 2 280.431 3.217 20 0 CGADLP FC1CC2(C1)CCC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256081132 806817100 /nfs/dbraw/zinc/81/71/00/806817100.db2.gz PMVKDWOTCKHVFO-UHFFFAOYSA-N 2 2 280.431 3.217 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H](C)C1 ZINC000722392264 800319939 /nfs/dbraw/zinc/31/99/39/800319939.db2.gz SIBIMGOYYFMPTD-MBNYWOFBSA-N 2 2 281.469 3.119 20 0 CGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccn2cc[nH+]c12 ZINC001163898023 806849392 /nfs/dbraw/zinc/84/93/92/806849392.db2.gz KLVNMSULRJTSLM-UHFFFAOYSA-N 2 2 296.761 3.390 20 0 CGADLP C[C@H]1C[C@@H](CF)[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603980 806924127 /nfs/dbraw/zinc/92/41/27/806924127.db2.gz LFARVVYXFRMDJS-YJBOKZPZSA-N 2 2 290.426 3.331 20 0 CGADLP C[C@H]1C[C@@H](CF)[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603980 806924130 /nfs/dbraw/zinc/92/41/30/806924130.db2.gz LFARVVYXFRMDJS-YJBOKZPZSA-N 2 2 290.426 3.331 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001117953970 802513365 /nfs/dbraw/zinc/51/33/65/802513365.db2.gz VUEZSBPFVSFASL-MRVPVSSYSA-N 2 2 279.186 3.220 20 0 CGADLP Cc1c(-c2cccc(OCC[NH+](C)C)c2)ccc2[nH+]ccn21 ZINC001243753671 802983686 /nfs/dbraw/zinc/98/36/86/802983686.db2.gz JOMTXAGBSTUTNU-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(F)cc1Cl ZINC001206811966 813443479 /nfs/dbraw/zinc/44/34/79/813443479.db2.gz XIYLUTZFPDJBOA-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(F)cc1Cl ZINC001206811966 813443486 /nfs/dbraw/zinc/44/34/86/813443486.db2.gz XIYLUTZFPDJBOA-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP CNc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC001244974129 803599525 /nfs/dbraw/zinc/59/95/25/803599525.db2.gz YCWNQXXLSPFKIY-OAHLLOKOSA-N 2 2 253.349 3.215 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666395 /nfs/dbraw/zinc/66/63/95/803666395.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666398 /nfs/dbraw/zinc/66/63/98/803666398.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666401 /nfs/dbraw/zinc/66/64/01/803666401.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c2c1 ZINC001136976181 803666405 /nfs/dbraw/zinc/66/64/05/803666405.db2.gz ZLYNQCODODYIQC-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP CC(C)[N@H+](Cc1cncc(Cl)c1)C1CC[NH+](C)CC1 ZINC001136997687 803670181 /nfs/dbraw/zinc/67/01/81/803670181.db2.gz KIVFQHHCKQALDA-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1cncc(Cl)c1)C1CC[NH+](C)CC1 ZINC001136997687 803670184 /nfs/dbraw/zinc/67/01/84/803670184.db2.gz KIVFQHHCKQALDA-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137653522 803749654 /nfs/dbraw/zinc/74/96/54/803749654.db2.gz WFTXQOHSYPIWJU-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137653522 803749660 /nfs/dbraw/zinc/74/96/60/803749660.db2.gz WFTXQOHSYPIWJU-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc(-c2ccc(SC3CC[NH2+]CC3)cc2)c[nH+]c1N ZINC001245540841 803799457 /nfs/dbraw/zinc/79/94/57/803799457.db2.gz IRLNQCXBJNJOED-UHFFFAOYSA-N 2 2 299.443 3.483 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138112548 803857547 /nfs/dbraw/zinc/85/75/47/803857547.db2.gz PXDXRBPEVQDKNV-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138112548 803857556 /nfs/dbraw/zinc/85/75/56/803857556.db2.gz PXDXRBPEVQDKNV-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)o1 ZINC001138178618 803872048 /nfs/dbraw/zinc/87/20/48/803872048.db2.gz OTSLOMUDGUTLRZ-UHFFFAOYSA-N 2 2 293.455 3.044 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)o1 ZINC001138178618 803872055 /nfs/dbraw/zinc/87/20/55/803872055.db2.gz OTSLOMUDGUTLRZ-UHFFFAOYSA-N 2 2 293.455 3.044 20 0 CGADLP CCOC(=[NH2+])c1cccc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245895771 804022224 /nfs/dbraw/zinc/02/22/24/804022224.db2.gz GLDLZBNQQMIVTN-UHFFFAOYSA-N 2 2 265.316 3.363 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073890 804112431 /nfs/dbraw/zinc/11/24/31/804112431.db2.gz AQSQXAABEFRAAO-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H](C[NH3+])c1ccccc1)CC2 ZINC001246077059 804115966 /nfs/dbraw/zinc/11/59/66/804115966.db2.gz QPNGNVLYXMDAND-RTBURBONSA-N 2 2 280.415 3.142 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246089420 804122201 /nfs/dbraw/zinc/12/22/01/804122201.db2.gz DYZPXHMIGNCGNK-TWMKSMIVSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC001246169893 804184264 /nfs/dbraw/zinc/18/42/64/804184264.db2.gz OOCKDQVCMGQCOC-OCCSQVGLSA-N 2 2 282.428 3.038 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]C[C@]2(F)CCC[NH2+]C2)cc1 ZINC001246178215 804192668 /nfs/dbraw/zinc/19/26/68/804192668.db2.gz NOAJACOFDJEJKL-ZBFHGGJFSA-N 2 2 296.455 3.157 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@]2(F)CCC[NH2+]C2)cc1 ZINC001246178211 804192727 /nfs/dbraw/zinc/19/27/27/804192727.db2.gz NOAJACOFDJEJKL-HOCLYGCPSA-N 2 2 296.455 3.157 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197243 804203833 /nfs/dbraw/zinc/20/38/33/804203833.db2.gz ZVTKHNVMJDZJTC-STQMWFEESA-N 2 2 280.378 3.331 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C[C@H](C)[NH2+]1 ZINC001246208417 804206823 /nfs/dbraw/zinc/20/68/23/804206823.db2.gz AAKUYRJSCAIOBN-CLLJXQQHSA-N 2 2 278.827 3.448 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246267133 804246775 /nfs/dbraw/zinc/24/67/75/804246775.db2.gz MCIIBHVWRCVFHX-SNVBAGLBSA-N 2 2 288.769 3.238 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246278191 804252475 /nfs/dbraw/zinc/25/24/75/804252475.db2.gz FGCAMWBEUUUIFS-FVQBIDKESA-N 2 2 260.425 3.491 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279172 804254325 /nfs/dbraw/zinc/25/43/25/804254325.db2.gz KUNGJYBZVLQSHI-RHSMWYFYSA-N 2 2 286.806 3.097 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246320148 804279115 /nfs/dbraw/zinc/27/91/15/804279115.db2.gz XWTUDEAEPUHAAJ-KCPJHIHWSA-N 2 2 250.361 3.007 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246328749 804284372 /nfs/dbraw/zinc/28/43/72/804284372.db2.gz ZIJICGFXPBCUCE-FMKPAKJESA-N 2 2 278.465 3.206 20 0 CGADLP Fc1cccc([C@@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246453057 804335473 /nfs/dbraw/zinc/33/54/73/804335473.db2.gz SMWJTFVKGOZEMQ-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP c1cn(C2CC[NH+](Cc3cc4ccccc4cn3)CC2)c[nH+]1 ZINC001140001689 804349344 /nfs/dbraw/zinc/34/93/44/804349344.db2.gz XNCQFCRGPHYFPF-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001140022247 804352022 /nfs/dbraw/zinc/35/20/22/804352022.db2.gz BZQRWSJFCXESGT-HZPDHXFCSA-N 2 2 281.403 3.413 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246507385 804365878 /nfs/dbraw/zinc/36/58/78/804365878.db2.gz BIIFPDIJLJZQRJ-GOEBONIOSA-N 2 2 264.413 3.109 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246505262 804366078 /nfs/dbraw/zinc/36/60/78/804366078.db2.gz VHYPQJJYWAYGOG-WRPZCXLFSA-N 2 2 299.245 3.122 20 0 CGADLP CC[N@H+](C1CC1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246524476 804377906 /nfs/dbraw/zinc/37/79/06/804377906.db2.gz RPYOLKPKHKKTFY-NVXWUHKLSA-N 2 2 276.399 3.412 20 0 CGADLP CC[N@@H+](C1CC1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246524476 804377912 /nfs/dbraw/zinc/37/79/12/804377912.db2.gz RPYOLKPKHKKTFY-NVXWUHKLSA-N 2 2 276.399 3.412 20 0 CGADLP CCCC[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246528460 804382034 /nfs/dbraw/zinc/38/20/34/804382034.db2.gz XKADYUCEAIYFMV-HOTGVXAUSA-N 2 2 292.423 3.031 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246537089 804386195 /nfs/dbraw/zinc/38/61/95/804386195.db2.gz JLRSUPPNNBLATN-QBPKDAKJSA-N 2 2 292.467 3.131 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246537089 804386202 /nfs/dbraw/zinc/38/62/02/804386202.db2.gz JLRSUPPNNBLATN-QBPKDAKJSA-N 2 2 292.467 3.131 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246545786 804392991 /nfs/dbraw/zinc/39/29/91/804392991.db2.gz DFSPBNZBKQTYHM-IAGOWNOFSA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246545786 804392993 /nfs/dbraw/zinc/39/29/93/804392993.db2.gz DFSPBNZBKQTYHM-IAGOWNOFSA-N 2 2 284.488 3.436 20 0 CGADLP Cc1ccc(C[C@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246573495 804421145 /nfs/dbraw/zinc/42/11/45/804421145.db2.gz CYTPJTFFBZLLMJ-RDJZCZTQSA-N 2 2 278.415 3.079 20 0 CGADLP Cc1ccc(C[C@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246573495 804421148 /nfs/dbraw/zinc/42/11/48/804421148.db2.gz CYTPJTFFBZLLMJ-RDJZCZTQSA-N 2 2 278.415 3.079 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579886 804424279 /nfs/dbraw/zinc/42/42/79/804424279.db2.gz LZENNMMUILMGTE-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246579886 804424283 /nfs/dbraw/zinc/42/42/83/804424283.db2.gz LZENNMMUILMGTE-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580450 804425953 /nfs/dbraw/zinc/42/59/53/804425953.db2.gz MVOAPTABBVZBGA-GJZGRUSLSA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580450 804425956 /nfs/dbraw/zinc/42/59/56/804425956.db2.gz MVOAPTABBVZBGA-GJZGRUSLSA-N 2 2 258.425 3.498 20 0 CGADLP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@](F)(C[NH3+])C1)C2 ZINC001246580962 804426367 /nfs/dbraw/zinc/42/63/67/804426367.db2.gz OPUJQBJIKPKRDE-FUHWJXTLSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@](F)(C[NH3+])C1)C2 ZINC001246580962 804426369 /nfs/dbraw/zinc/42/63/69/804426369.db2.gz OPUJQBJIKPKRDE-FUHWJXTLSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246583865 804427743 /nfs/dbraw/zinc/42/77/43/804427743.db2.gz VXYUMTIUFRHPRN-FUHWJXTLSA-N 2 2 292.442 3.469 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246583865 804427747 /nfs/dbraw/zinc/42/77/47/804427747.db2.gz VXYUMTIUFRHPRN-FUHWJXTLSA-N 2 2 292.442 3.469 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589946 804431329 /nfs/dbraw/zinc/43/13/29/804431329.db2.gz QDFVBZOTNOQFQF-AGIUHOORSA-N 2 2 292.389 3.222 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589946 804431333 /nfs/dbraw/zinc/43/13/33/804431333.db2.gz QDFVBZOTNOQFQF-AGIUHOORSA-N 2 2 292.389 3.222 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc(Cl)ccc1C ZINC001140446335 804436469 /nfs/dbraw/zinc/43/64/69/804436469.db2.gz HHACXVMXLWEKEK-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc(Cl)ccc1C ZINC001140446335 804436473 /nfs/dbraw/zinc/43/64/73/804436473.db2.gz HHACXVMXLWEKEK-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246598533 804437008 /nfs/dbraw/zinc/43/70/08/804437008.db2.gz AEDIHWFHRMNNLQ-CRAIPNDOSA-N 2 2 272.436 3.008 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246598533 804437013 /nfs/dbraw/zinc/43/70/13/804437013.db2.gz AEDIHWFHRMNNLQ-CRAIPNDOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617529 804452382 /nfs/dbraw/zinc/45/23/82/804452382.db2.gz DAUNBKWEAPDPMJ-FUHWJXTLSA-N 2 2 298.474 3.497 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246619179 804453429 /nfs/dbraw/zinc/45/34/29/804453429.db2.gz LZDUMPJNOFOREA-XIRDDKMYSA-N 2 2 270.420 3.136 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246619179 804453433 /nfs/dbraw/zinc/45/34/33/804453433.db2.gz LZDUMPJNOFOREA-XIRDDKMYSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647195 804473352 /nfs/dbraw/zinc/47/33/52/804473352.db2.gz IOEIOSSRPYNYKY-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647195 804473361 /nfs/dbraw/zinc/47/33/61/804473361.db2.gz IOEIOSSRPYNYKY-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649498 804476736 /nfs/dbraw/zinc/47/67/36/804476736.db2.gz BVTAKLQSTHJGSM-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649498 804476740 /nfs/dbraw/zinc/47/67/40/804476740.db2.gz BVTAKLQSTHJGSM-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649016 804477466 /nfs/dbraw/zinc/47/74/66/804477466.db2.gz ODSOZNUJOBNNIJ-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649016 804477467 /nfs/dbraw/zinc/47/74/67/804477467.db2.gz ODSOZNUJOBNNIJ-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001246789240 804512758 /nfs/dbraw/zinc/51/27/58/804512758.db2.gz CJBSFYWTKDQLIR-ABAIWWIYSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001246789240 804512761 /nfs/dbraw/zinc/51/27/61/804512761.db2.gz CJBSFYWTKDQLIR-ABAIWWIYSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)no1 ZINC001140800152 804518785 /nfs/dbraw/zinc/51/87/85/804518785.db2.gz WWFCJRDSIAHUBA-MRXNPFEDSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)no1 ZINC001140800152 804518788 /nfs/dbraw/zinc/51/87/88/804518788.db2.gz WWFCJRDSIAHUBA-MRXNPFEDSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001246819449 804534122 /nfs/dbraw/zinc/53/41/22/804534122.db2.gz GDBMFPTZVSUYFL-SOUVJXGZSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001246819449 804534126 /nfs/dbraw/zinc/53/41/26/804534126.db2.gz GDBMFPTZVSUYFL-SOUVJXGZSA-N 2 2 278.465 3.287 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H](C)CC[NH2+]C ZINC001246846729 804555963 /nfs/dbraw/zinc/55/59/63/804555963.db2.gz QNCIYJMUGTVXOP-BZUAXINKSA-N 2 2 270.461 3.248 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H](C)CC[NH2+]C ZINC001246846729 804555968 /nfs/dbraw/zinc/55/59/68/804555968.db2.gz QNCIYJMUGTVXOP-BZUAXINKSA-N 2 2 270.461 3.248 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864287 804567327 /nfs/dbraw/zinc/56/73/27/804567327.db2.gz SYNXLZCFNMXPBM-HZPDHXFCSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864287 804567333 /nfs/dbraw/zinc/56/73/33/804567333.db2.gz SYNXLZCFNMXPBM-HZPDHXFCSA-N 2 2 290.426 3.495 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871388 804573394 /nfs/dbraw/zinc/57/33/94/804573394.db2.gz YXCWGJOSTAPYFL-CJNGLKHVSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871388 804573398 /nfs/dbraw/zinc/57/33/98/804573398.db2.gz YXCWGJOSTAPYFL-CJNGLKHVSA-N 2 2 278.827 3.432 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC001246884007 804580129 /nfs/dbraw/zinc/58/01/29/804580129.db2.gz QRNBLFWFTCXJRX-RDTXWAMCSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887983 804580890 /nfs/dbraw/zinc/58/08/90/804580890.db2.gz RRMPKJMWGXUNAN-KFNAQCHYSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887983 804580895 /nfs/dbraw/zinc/58/08/95/804580895.db2.gz RRMPKJMWGXUNAN-KFNAQCHYSA-N 2 2 280.362 3.242 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905783 804589950 /nfs/dbraw/zinc/58/99/50/804589950.db2.gz BNURKFRMSIDHOV-KBPBESRZSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905783 804589956 /nfs/dbraw/zinc/58/99/56/804589956.db2.gz BNURKFRMSIDHOV-KBPBESRZSA-N 2 2 282.378 3.317 20 0 CGADLP c1ccc(C[N@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246924468 804603991 /nfs/dbraw/zinc/60/39/91/804603991.db2.gz MQJOCEJWVILHAI-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246924468 804603993 /nfs/dbraw/zinc/60/39/93/804603993.db2.gz MQJOCEJWVILHAI-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246963531 804619541 /nfs/dbraw/zinc/61/95/41/804619541.db2.gz BLTPQOLZMQHRFJ-KBXCAEBGSA-N 2 2 272.436 3.408 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246963531 804619545 /nfs/dbraw/zinc/61/95/45/804619545.db2.gz BLTPQOLZMQHRFJ-KBXCAEBGSA-N 2 2 272.436 3.408 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCC1 ZINC001141243024 804622985 /nfs/dbraw/zinc/62/29/85/804622985.db2.gz SMGRHQQWSWQJMK-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCC1 ZINC001141243024 804622991 /nfs/dbraw/zinc/62/29/91/804622991.db2.gz SMGRHQQWSWQJMK-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001246997761 804632948 /nfs/dbraw/zinc/63/29/48/804632948.db2.gz BQZXLAWBLYCGRR-HOTGVXAUSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+]([C@H]3CC[NH2+]C3)C2)cc1 ZINC001246997761 804632952 /nfs/dbraw/zinc/63/29/52/804632952.db2.gz BQZXLAWBLYCGRR-HOTGVXAUSA-N 2 2 288.435 3.015 20 0 CGADLP COc1cc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC001142942769 804788484 /nfs/dbraw/zinc/78/84/84/804788484.db2.gz WYXBCZHFKCKQDB-UHFFFAOYSA-N 2 2 299.418 3.346 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143607824 804875906 /nfs/dbraw/zinc/87/59/06/804875906.db2.gz XDVOVYJWCUJINB-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143607824 804875913 /nfs/dbraw/zinc/87/59/13/804875913.db2.gz XDVOVYJWCUJINB-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP C[C@@H]1C[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC001257084892 807046507 /nfs/dbraw/zinc/04/65/07/807046507.db2.gz GVPNEZUMAGLSSP-YWVIFJGQSA-N 2 2 285.391 3.137 20 0 CGADLP C[C@@H]1CC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC001257085385 807048478 /nfs/dbraw/zinc/04/84/78/807048478.db2.gz NDWIGKVPOHTUFN-CHWSQXEVSA-N 2 2 285.391 3.137 20 0 CGADLP CCSc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC001249437291 805148688 /nfs/dbraw/zinc/14/86/88/805148688.db2.gz IEVHEWQDLBDMJT-UHFFFAOYSA-N 2 2 266.454 3.182 20 0 CGADLP CCSc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC001249437291 805148694 /nfs/dbraw/zinc/14/86/94/805148694.db2.gz IEVHEWQDLBDMJT-UHFFFAOYSA-N 2 2 266.454 3.182 20 0 CGADLP Cc1nc(Cl)cc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1C ZINC001155057451 805530141 /nfs/dbraw/zinc/53/01/41/805530141.db2.gz JBTXNFZHZZMYNF-UHFFFAOYSA-N 2 2 290.798 3.005 20 0 CGADLP Cc1cccc2c1ccnc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057370 805530580 /nfs/dbraw/zinc/53/05/80/805530580.db2.gz FSHSOUCTDKQRAW-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2cc(-c3ccncc3)cc[nH+]2)C1 ZINC001165259937 806982422 /nfs/dbraw/zinc/98/24/22/806982422.db2.gz BZPOEUKYTPARKS-HNNXBMFYSA-N 2 2 296.418 3.287 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2cc(-c3ccncc3)cc[nH+]2)C1 ZINC001165259937 806982427 /nfs/dbraw/zinc/98/24/27/806982427.db2.gz BZPOEUKYTPARKS-HNNXBMFYSA-N 2 2 296.418 3.287 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316650 805562475 /nfs/dbraw/zinc/56/24/75/805562475.db2.gz QRGSSXZFHGCBME-UHFFFAOYSA-N 2 2 257.381 3.014 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257213955 807062194 /nfs/dbraw/zinc/06/21/94/807062194.db2.gz XOSMXBKTVJBQRO-CYBMUJFWSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2cccnc2F)C2CC2)CC1 ZINC001257213215 807063805 /nfs/dbraw/zinc/06/38/05/807063805.db2.gz IBHMHQYMDOJQOJ-MRXNPFEDSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)c2cccs2)CC1 ZINC001257222235 807065622 /nfs/dbraw/zinc/06/56/22/807065622.db2.gz YHLSLTYKUKXXES-UHFFFAOYSA-N 2 2 294.464 3.126 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)c2cccs2)CC1 ZINC001257222235 807065629 /nfs/dbraw/zinc/06/56/29/807065629.db2.gz YHLSLTYKUKXXES-UHFFFAOYSA-N 2 2 294.464 3.126 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001257223877 807066213 /nfs/dbraw/zinc/06/62/13/807066213.db2.gz GXELUZFZWXTZLG-GOSISDBHSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001257223877 807066216 /nfs/dbraw/zinc/06/62/16/807066216.db2.gz GXELUZFZWXTZLG-GOSISDBHSA-N 2 2 294.483 3.140 20 0 CGADLP CCC(CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257290028 807087436 /nfs/dbraw/zinc/08/74/36/807087436.db2.gz KWQBGCRNZFPLOI-UHFFFAOYSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1cccc2c(C)cc(N3CC[C@@H]([NH3+])C(F)(F)C3)[nH+]c12 ZINC001166959725 807116832 /nfs/dbraw/zinc/11/68/32/807116832.db2.gz IZROJAGLRROAJA-CYBMUJFWSA-N 2 2 291.345 3.024 20 0 CGADLP Cc1ccc(N2CC3(CC[NH2+]CC3)c3ccccc32)[nH+]c1C ZINC001167068990 807143396 /nfs/dbraw/zinc/14/33/96/807143396.db2.gz HNUYLCBKBYYEML-UHFFFAOYSA-N 2 2 293.414 3.471 20 0 CGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(C2CC2)c[nH+]1 ZINC001167625363 807217959 /nfs/dbraw/zinc/21/79/59/807217959.db2.gz QXRSGOQPHIAKAE-UHFFFAOYSA-N 2 2 273.424 3.444 20 0 CGADLP CC(C)Oc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc[nH+]1 ZINC001167624738 807218062 /nfs/dbraw/zinc/21/80/62/807218062.db2.gz MDNGAPFDZAXBQH-UHFFFAOYSA-N 2 2 291.439 3.354 20 0 CGADLP CCc1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC001167752321 807241969 /nfs/dbraw/zinc/24/19/69/807241969.db2.gz FADUFHGGZAUWSL-AWEZNQCLSA-N 2 2 261.413 3.320 20 0 CGADLP CCc1ccc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC001167752321 807241972 /nfs/dbraw/zinc/24/19/72/807241972.db2.gz FADUFHGGZAUWSL-AWEZNQCLSA-N 2 2 261.413 3.320 20 0 CGADLP Cc1ccc2c(cc[nH+]c2NCc2ccc(N)[nH+]c2C)c1 ZINC001167781171 807249191 /nfs/dbraw/zinc/24/91/91/807249191.db2.gz GXOIXBUZZQGWBU-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258075138 807292592 /nfs/dbraw/zinc/29/25/92/807292592.db2.gz RNXJERHGPWGNJP-QAETUUGQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258075138 807292598 /nfs/dbraw/zinc/29/25/98/807292598.db2.gz RNXJERHGPWGNJP-QAETUUGQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258075138 807292603 /nfs/dbraw/zinc/29/26/03/807292603.db2.gz RNXJERHGPWGNJP-QAETUUGQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258075138 807292607 /nfs/dbraw/zinc/29/26/07/807292607.db2.gz RNXJERHGPWGNJP-QAETUUGQSA-N 2 2 266.473 3.473 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001168167423 807329768 /nfs/dbraw/zinc/32/97/68/807329768.db2.gz OUSDDLJKRALEOF-CJNGLKHVSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001168167423 807329775 /nfs/dbraw/zinc/32/97/75/807329775.db2.gz OUSDDLJKRALEOF-CJNGLKHVSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@H]1CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC001258170422 807338513 /nfs/dbraw/zinc/33/85/13/807338513.db2.gz KLDCLAQITBCPBT-HUUCEWRRSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C)CC1 ZINC001168199279 807344601 /nfs/dbraw/zinc/34/46/01/807344601.db2.gz LZQSEJGRUDONKC-OGVSOVDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](Cc1ccco1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258186733 807352092 /nfs/dbraw/zinc/35/20/92/807352092.db2.gz RTILLVAMTSMRJB-AWEZNQCLSA-N 2 2 286.375 3.149 20 0 CGADLP CSCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258224029 807375669 /nfs/dbraw/zinc/37/56/69/807375669.db2.gz JPGVABFAEYOERJ-AWEZNQCLSA-N 2 2 293.480 3.090 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)SC ZINC001258316925 807407139 /nfs/dbraw/zinc/40/71/39/807407139.db2.gz UNRFPPBDLDBTIR-CYBMUJFWSA-N 2 2 260.491 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)SC ZINC001258316925 807407141 /nfs/dbraw/zinc/40/71/41/807407141.db2.gz UNRFPPBDLDBTIR-CYBMUJFWSA-N 2 2 260.491 3.228 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(F)c1F ZINC001168365356 807394426 /nfs/dbraw/zinc/39/44/26/807394426.db2.gz PKHGFVSCPCNTCH-GFCCVEGCSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC001168365373 807395299 /nfs/dbraw/zinc/39/52/99/807395299.db2.gz PZWBCHPHCGHMBW-LBPRGKRZSA-N 2 2 294.389 3.490 20 0 CGADLP CC1(C)CCC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001258290881 807398851 /nfs/dbraw/zinc/39/88/51/807398851.db2.gz YMCVMBLMJNAQHB-UONOGXRCSA-N 2 2 261.413 3.491 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168399106 807404693 /nfs/dbraw/zinc/40/46/93/807404693.db2.gz XKSZEVMADVTXNO-GOSISDBHSA-N 2 2 290.426 3.005 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1CC[NH3+] ZINC001258674661 807539268 /nfs/dbraw/zinc/53/92/68/807539268.db2.gz CBQQHDNTJGLAHY-SNVBAGLBSA-N 2 2 298.217 3.495 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690757 807547214 /nfs/dbraw/zinc/54/72/14/807547214.db2.gz VAEZNYCYDCMHNC-KKUMJFAQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC(C)(C)C1 ZINC001258690757 807547220 /nfs/dbraw/zinc/54/72/20/807547220.db2.gz VAEZNYCYDCMHNC-KKUMJFAQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCOc2cc[nH+]cc2)CC(C)(C)C1 ZINC001258694978 807550144 /nfs/dbraw/zinc/55/01/44/807550144.db2.gz XPFLKLHQZWDHPS-UONOGXRCSA-N 2 2 262.397 3.265 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001169051169 807560171 /nfs/dbraw/zinc/56/01/71/807560171.db2.gz VDDZDJKEUWCVOD-WBVHZDCISA-N 2 2 262.441 3.184 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001169146665 807592930 /nfs/dbraw/zinc/59/29/30/807592930.db2.gz QXDJRLDRXSMMLT-SIRPWMCASA-N 2 2 262.441 3.266 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001169146665 807592934 /nfs/dbraw/zinc/59/29/34/807592934.db2.gz QXDJRLDRXSMMLT-SIRPWMCASA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001169146665 807592938 /nfs/dbraw/zinc/59/29/38/807592938.db2.gz QXDJRLDRXSMMLT-SIRPWMCASA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC001169146665 807592942 /nfs/dbraw/zinc/59/29/42/807592942.db2.gz QXDJRLDRXSMMLT-SIRPWMCASA-N 2 2 262.441 3.266 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145978 807593262 /nfs/dbraw/zinc/59/32/62/807593262.db2.gz NSYZZVWZNHQLTD-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145978 807593267 /nfs/dbraw/zinc/59/32/67/807593267.db2.gz NSYZZVWZNHQLTD-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145978 807593268 /nfs/dbraw/zinc/59/32/68/807593268.db2.gz NSYZZVWZNHQLTD-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145978 807593270 /nfs/dbraw/zinc/59/32/70/807593270.db2.gz NSYZZVWZNHQLTD-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP CCCC[C@@H](CCC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258763354 807599973 /nfs/dbraw/zinc/59/99/73/807599973.db2.gz OIFSHDBCKGTVBH-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@@H](CCC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258763354 807599976 /nfs/dbraw/zinc/59/99/76/807599976.db2.gz OIFSHDBCKGTVBH-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[NH+](CCCC)CCC[NH2+]C1CC[NH+](CC)CC1 ZINC001169225260 807608523 /nfs/dbraw/zinc/60/85/23/807608523.db2.gz PLLIOJDBDRFWEY-UHFFFAOYSA-N 3 2 297.531 3.353 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001169244707 807613013 /nfs/dbraw/zinc/61/30/13/807613013.db2.gz RWCBSWYFPIMFII-HNNXBMFYSA-N 2 2 294.826 3.238 20 0 CGADLP Cc1[nH+]cn([C@H]2CCC[C@H](C)C2)c1CSCC[NH3+] ZINC001258809675 807629314 /nfs/dbraw/zinc/62/93/14/807629314.db2.gz ZULGCHIYOXGQTF-AAEUAGOBSA-N 2 2 267.442 3.135 20 0 CGADLP C[C@@H]1CCC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258831062 807646969 /nfs/dbraw/zinc/64/69/69/807646969.db2.gz YSPVZCSWXVSCPN-UKRRQHHQSA-N 2 2 291.414 3.358 20 0 CGADLP COc1ccccc1C[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258893772 807667741 /nfs/dbraw/zinc/66/77/41/807667741.db2.gz NODWGAMBPBRRQW-HNNXBMFYSA-N 2 2 299.418 3.160 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001258898843 807668880 /nfs/dbraw/zinc/66/88/80/807668880.db2.gz VMADAEQNDGFMQG-SNVBAGLBSA-N 2 2 290.320 3.284 20 0 CGADLP Cc1cc(NC(C)(C)CC[NH+](C)C)ccc1[NH+](C)C ZINC001169718584 807697328 /nfs/dbraw/zinc/69/73/28/807697328.db2.gz XPSIUSZHJYIRSX-UHFFFAOYSA-N 2 2 263.429 3.203 20 0 CGADLP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)n(C2CC2)c1 ZINC001261255308 807721513 /nfs/dbraw/zinc/72/15/13/807721513.db2.gz UAIUSQJWGZBVFU-UHFFFAOYSA-N 2 2 284.407 3.200 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170941343 807940159 /nfs/dbraw/zinc/94/01/59/807940159.db2.gz CDRNDTFLOLPIIA-INIZCTEOSA-N 2 2 290.426 3.005 20 0 CGADLP C[NH+]1CC(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171066263 807978157 /nfs/dbraw/zinc/97/81/57/807978157.db2.gz JTIVRWIHVREFOZ-ZDUSSCGKSA-N 2 2 299.245 3.002 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146167 807997788 /nfs/dbraw/zinc/99/77/88/807997788.db2.gz WPKZOOJRBGHMRU-STQMWFEESA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146167 807997792 /nfs/dbraw/zinc/99/77/92/807997792.db2.gz WPKZOOJRBGHMRU-STQMWFEESA-N 2 2 299.245 3.274 20 0 CGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(C)[nH+]c(C)n3)c2c1 ZINC001171167472 808000273 /nfs/dbraw/zinc/00/02/73/808000273.db2.gz ZMBSJDDIVHIIPL-LBPRGKRZSA-N 2 2 294.402 3.235 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172328188 808235112 /nfs/dbraw/zinc/23/51/12/808235112.db2.gz OUDOPNIJYRCNMR-CHWSQXEVSA-N 2 2 299.484 3.150 20 0 CGADLP Cc1[nH+]cn([C@@H]2CC[C@H](C)[C@@H](C)C2)c1CSCC[NH3+] ZINC001172363725 808258659 /nfs/dbraw/zinc/25/86/59/808258659.db2.gz OSVDMPXONKNOBE-SGMGOOAPSA-N 2 2 281.469 3.381 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172371873 808266839 /nfs/dbraw/zinc/26/68/39/808266839.db2.gz BGDCZCAAROUVFO-IJEWVQPXSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172371873 808266845 /nfs/dbraw/zinc/26/68/45/808266845.db2.gz BGDCZCAAROUVFO-IJEWVQPXSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001172380088 808273807 /nfs/dbraw/zinc/27/38/07/808273807.db2.gz QNUPZOXSPLZFRU-BARDWOONSA-N 2 2 261.413 3.347 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383801 808277268 /nfs/dbraw/zinc/27/72/68/808277268.db2.gz RYPUSNGXUWNSSU-XAJHFOFHSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383801 808277276 /nfs/dbraw/zinc/27/72/76/808277276.db2.gz RYPUSNGXUWNSSU-XAJHFOFHSA-N 2 2 282.447 3.319 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172393622 808283896 /nfs/dbraw/zinc/28/38/96/808283896.db2.gz AXTSYLPMHIFVLT-HNNXBMFYSA-N 2 2 275.440 3.465 20 0 CGADLP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172461184 808331644 /nfs/dbraw/zinc/33/16/44/808331644.db2.gz APOWSBSFBRMCIO-CVEARBPZSA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172461184 808331651 /nfs/dbraw/zinc/33/16/51/808331651.db2.gz APOWSBSFBRMCIO-CVEARBPZSA-N 2 2 284.488 3.148 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172858131 808465061 /nfs/dbraw/zinc/46/50/61/808465061.db2.gz CHMRHBNEJHNIRL-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172858131 808465064 /nfs/dbraw/zinc/46/50/64/808465064.db2.gz CHMRHBNEJHNIRL-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP CO[C@@H]1CCC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001172928888 808486281 /nfs/dbraw/zinc/48/62/81/808486281.db2.gz MEXUQTJXCSBTQG-JKSUJKDBSA-N 2 2 285.391 3.139 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCOCC2)CC1 ZINC001173049170 808499779 /nfs/dbraw/zinc/49/97/79/808499779.db2.gz BEQLELRSUXUVAX-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCOCC2)CC1 ZINC001173049170 808499783 /nfs/dbraw/zinc/49/97/83/808499783.db2.gz BEQLELRSUXUVAX-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001173239648 808547669 /nfs/dbraw/zinc/54/76/69/808547669.db2.gz JQAMGYSYSBEADA-CQSZACIVSA-N 2 2 283.419 3.201 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001173239648 808547673 /nfs/dbraw/zinc/54/76/73/808547673.db2.gz JQAMGYSYSBEADA-CQSZACIVSA-N 2 2 283.419 3.201 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173267496 808572215 /nfs/dbraw/zinc/57/22/15/808572215.db2.gz MLEUHQFXFLDCRE-RDJZCZTQSA-N 2 2 287.451 3.466 20 0 CGADLP CCc1ccc[nH+]c1Nc1ccccc1C[NH+](C)C ZINC001173929722 808768307 /nfs/dbraw/zinc/76/83/07/808768307.db2.gz VUOAELXRWZCJSX-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP CC(C)(C)C[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275050808 808899663 /nfs/dbraw/zinc/89/96/63/808899663.db2.gz KEAPVIRYUDFWAO-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275050808 808899671 /nfs/dbraw/zinc/89/96/71/808899671.db2.gz KEAPVIRYUDFWAO-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275050808 808899677 /nfs/dbraw/zinc/89/96/77/808899677.db2.gz KEAPVIRYUDFWAO-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275050808 808899684 /nfs/dbraw/zinc/89/96/84/808899684.db2.gz KEAPVIRYUDFWAO-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3scnc3C)C2)C1 ZINC001275085194 808906342 /nfs/dbraw/zinc/90/63/42/808906342.db2.gz ONJXCXBYQRDWRT-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3scnc3C)C2)C1 ZINC001275085194 808906346 /nfs/dbraw/zinc/90/63/46/808906346.db2.gz ONJXCXBYQRDWRT-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001275085194 808906350 /nfs/dbraw/zinc/90/63/50/808906350.db2.gz ONJXCXBYQRDWRT-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001275085194 808906354 /nfs/dbraw/zinc/90/63/54/808906354.db2.gz ONJXCXBYQRDWRT-MRXNPFEDSA-N 2 2 293.480 3.149 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174411212 809003621 /nfs/dbraw/zinc/00/36/21/809003621.db2.gz PDIJUQDDDDJVGC-UHFFFAOYSA-N 2 2 266.348 3.320 20 0 CGADLP FC(F)(F)CCC[N@@H+]1CCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277928615 809106717 /nfs/dbraw/zinc/10/67/17/809106717.db2.gz KQBAZYUCCVQARP-UHFFFAOYSA-N 2 2 290.373 3.279 20 0 CGADLP FC(F)(F)CCC[N@H+]1CCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277928615 809106722 /nfs/dbraw/zinc/10/67/22/809106722.db2.gz KQBAZYUCCVQARP-UHFFFAOYSA-N 2 2 290.373 3.279 20 0 CGADLP Cn1c[nH+]c2cc(Nc3ccc(C[NH+](C)C)cc3)ccc21 ZINC001176293329 809664060 /nfs/dbraw/zinc/66/40/60/809664060.db2.gz KAFFGZZMMKJLJA-UHFFFAOYSA-N 2 2 280.375 3.379 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC001176977677 809772056 /nfs/dbraw/zinc/77/20/56/809772056.db2.gz MZDGSLZRWKRYCC-AWEZNQCLSA-N 2 2 297.393 3.425 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001179142881 809906377 /nfs/dbraw/zinc/90/63/77/809906377.db2.gz ONSVPFVWYNREMV-XHSDSOJGSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001179142881 809906382 /nfs/dbraw/zinc/90/63/82/809906382.db2.gz ONSVPFVWYNREMV-XHSDSOJGSA-N 2 2 264.457 3.441 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905943 809956671 /nfs/dbraw/zinc/95/66/71/809956671.db2.gz QJCMTBUILWWPIT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905943 809956673 /nfs/dbraw/zinc/95/66/73/809956673.db2.gz QJCMTBUILWWPIT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905943 809956678 /nfs/dbraw/zinc/95/66/78/809956678.db2.gz QJCMTBUILWWPIT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905943 809956682 /nfs/dbraw/zinc/95/66/82/809956682.db2.gz QJCMTBUILWWPIT-WMLDXEAASA-N 2 2 278.415 3.296 20 0 CGADLP COC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCC1 ZINC001181196813 810042837 /nfs/dbraw/zinc/04/28/37/810042837.db2.gz ZCARRHBQMKNIMR-UHFFFAOYSA-N 2 2 294.483 3.191 20 0 CGADLP CC1(C[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CCCC1 ZINC001181243503 810043259 /nfs/dbraw/zinc/04/32/59/810043259.db2.gz JHTOJZNLETVFDH-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP CC1(C[NH2+]CC[N@H+]2CCCC(C)(C)C2)CCCC1 ZINC001181243503 810043263 /nfs/dbraw/zinc/04/32/63/810043263.db2.gz JHTOJZNLETVFDH-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC001183045386 810135324 /nfs/dbraw/zinc/13/53/24/810135324.db2.gz JAFYYHSJKFIFIH-OTWHNJEPSA-N 2 2 286.463 3.472 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC001183045386 810135328 /nfs/dbraw/zinc/13/53/28/810135328.db2.gz JAFYYHSJKFIFIH-OTWHNJEPSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281051 811045930 /nfs/dbraw/zinc/04/59/30/811045930.db2.gz YSDMLELTKSAVLC-IAGOWNOFSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281051 811045938 /nfs/dbraw/zinc/04/59/38/811045938.db2.gz YSDMLELTKSAVLC-IAGOWNOFSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281054 811046162 /nfs/dbraw/zinc/04/61/62/811046162.db2.gz YSDMLELTKSAVLC-SJORKVTESA-N 2 2 296.499 3.245 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281054 811046171 /nfs/dbraw/zinc/04/61/71/811046171.db2.gz YSDMLELTKSAVLC-SJORKVTESA-N 2 2 296.499 3.245 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC001197497371 811426556 /nfs/dbraw/zinc/42/65/56/811426556.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC001197497371 811426560 /nfs/dbraw/zinc/42/65/60/811426560.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC001197497371 811426566 /nfs/dbraw/zinc/42/65/66/811426566.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC001197497371 811426569 /nfs/dbraw/zinc/42/65/69/811426569.db2.gz RGTRCPQETFBREG-ZWKOTPCHSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001198991990 811554610 /nfs/dbraw/zinc/55/46/10/811554610.db2.gz URUCGXPDHHOPAB-JKSUJKDBSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)[N@H+](C)C1CC1 ZINC001200291536 811670576 /nfs/dbraw/zinc/67/05/76/811670576.db2.gz DHKCTIZZOCNNRA-JKSUJKDBSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)[N@@H+](C)C1CC1 ZINC001200291536 811670582 /nfs/dbraw/zinc/67/05/82/811670582.db2.gz DHKCTIZZOCNNRA-JKSUJKDBSA-N 2 2 274.452 3.328 20 0 CGADLP CCc1ccc[nH+]c1Nc1cccc(C[NH+](C)C)c1 ZINC001201393266 811826553 /nfs/dbraw/zinc/82/65/53/811826553.db2.gz ZJEYODUHANLMFV-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](CCC)C2)c1 ZINC001203235376 812275983 /nfs/dbraw/zinc/27/59/83/812275983.db2.gz PEOMHJGBVGSCPI-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+](CCC)C2)c1 ZINC001203235376 812275988 /nfs/dbraw/zinc/27/59/88/812275988.db2.gz PEOMHJGBVGSCPI-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(C)[nH+]1 ZINC001203244387 812278484 /nfs/dbraw/zinc/27/84/84/812278484.db2.gz YFEBUDGLRRXXLL-KGLIPLIRSA-N 2 2 261.413 3.293 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(C)[nH+]1 ZINC001203244387 812278488 /nfs/dbraw/zinc/27/84/88/812278488.db2.gz YFEBUDGLRRXXLL-KGLIPLIRSA-N 2 2 261.413 3.293 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC001203300394 812301871 /nfs/dbraw/zinc/30/18/71/812301871.db2.gz KBQCAXACACJPGL-HNNXBMFYSA-N 2 2 272.348 3.026 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC001203300394 812301876 /nfs/dbraw/zinc/30/18/76/812301876.db2.gz KBQCAXACACJPGL-HNNXBMFYSA-N 2 2 272.348 3.026 20 0 CGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCC(C)C ZINC001203547012 812389594 /nfs/dbraw/zinc/38/95/94/812389594.db2.gz AKPHPZNLXXJHIL-UHFFFAOYSA-N 2 2 288.439 3.446 20 0 CGADLP Cc1cn2c(cccc2-c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC001204631710 812696935 /nfs/dbraw/zinc/69/69/35/812696935.db2.gz NELJKZIDAXAMEJ-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001204645968 812700604 /nfs/dbraw/zinc/70/06/04/812700604.db2.gz DBMCBOLUYOJMCQ-KRWDZBQOSA-N 2 2 268.404 3.445 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC001204645968 812700608 /nfs/dbraw/zinc/70/06/08/812700608.db2.gz DBMCBOLUYOJMCQ-KRWDZBQOSA-N 2 2 268.404 3.445 20 0 CGADLP C[N@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001204699232 812710891 /nfs/dbraw/zinc/71/08/91/812710891.db2.gz JEJGFQIJTHPMDK-UHFFFAOYSA-N 2 2 276.330 3.022 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001204699232 812710899 /nfs/dbraw/zinc/71/08/99/812710899.db2.gz JEJGFQIJTHPMDK-UHFFFAOYSA-N 2 2 276.330 3.022 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903971 812770274 /nfs/dbraw/zinc/77/02/74/812770274.db2.gz IKDMCNHNPFIHNH-MRXNPFEDSA-N 2 2 297.446 3.389 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903971 812770277 /nfs/dbraw/zinc/77/02/77/812770277.db2.gz IKDMCNHNPFIHNH-MRXNPFEDSA-N 2 2 297.446 3.389 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc(C)c1OC(C)C ZINC001204933480 812783350 /nfs/dbraw/zinc/78/33/50/812783350.db2.gz UFQKLCPXYHPTJY-QGZVFWFLSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc(C)c1OC(C)C ZINC001204933480 812783369 /nfs/dbraw/zinc/78/33/69/812783369.db2.gz UFQKLCPXYHPTJY-QGZVFWFLSA-N 2 2 290.451 3.404 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1Cl ZINC001205008818 812822652 /nfs/dbraw/zinc/82/26/52/812822652.db2.gz DCFGAUOJNAWNLI-CQSZACIVSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1Cl ZINC001205008818 812822661 /nfs/dbraw/zinc/82/26/61/812822661.db2.gz DCFGAUOJNAWNLI-CQSZACIVSA-N 2 2 296.842 3.170 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205124535 812878517 /nfs/dbraw/zinc/87/85/17/812878517.db2.gz ULUKKIMANCALEN-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1F ZINC001205124535 812878524 /nfs/dbraw/zinc/87/85/24/812878524.db2.gz ULUKKIMANCALEN-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@H]1C[NH3+] ZINC001205306533 812943679 /nfs/dbraw/zinc/94/36/79/812943679.db2.gz WUJSPLTYRVQXRU-RYUDHWBXSA-N 2 2 291.826 3.238 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@H]1C[NH3+] ZINC001205306533 812943684 /nfs/dbraw/zinc/94/36/84/812943684.db2.gz WUJSPLTYRVQXRU-RYUDHWBXSA-N 2 2 291.826 3.238 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205331510 812958801 /nfs/dbraw/zinc/95/88/01/812958801.db2.gz HCHILOAUSCVLMD-CYBMUJFWSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205331510 812958805 /nfs/dbraw/zinc/95/88/05/812958805.db2.gz HCHILOAUSCVLMD-CYBMUJFWSA-N 2 2 266.816 3.141 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001205330962 812959182 /nfs/dbraw/zinc/95/91/82/812959182.db2.gz BDQQZJYRYXBJSN-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205330962 812959189 /nfs/dbraw/zinc/95/91/89/812959189.db2.gz BDQQZJYRYXBJSN-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205333140 812960711 /nfs/dbraw/zinc/96/07/11/812960711.db2.gz WZMGSGYCHVFELP-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205333140 812960719 /nfs/dbraw/zinc/96/07/19/812960719.db2.gz WZMGSGYCHVFELP-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCC[C@H]1C ZINC001205435055 812982078 /nfs/dbraw/zinc/98/20/78/812982078.db2.gz UUMNAVJZKPWKCA-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001205661827 813046835 /nfs/dbraw/zinc/04/68/35/813046835.db2.gz ILWVUJPAJTXNGI-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001205661827 813046840 /nfs/dbraw/zinc/04/68/40/813046840.db2.gz ILWVUJPAJTXNGI-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667517 813048175 /nfs/dbraw/zinc/04/81/75/813048175.db2.gz MEDPDZZQPAGCDZ-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667517 813048182 /nfs/dbraw/zinc/04/81/82/813048182.db2.gz MEDPDZZQPAGCDZ-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001205695981 813054323 /nfs/dbraw/zinc/05/43/23/813054323.db2.gz CZJDCRRDHFLUPA-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001205695981 813054335 /nfs/dbraw/zinc/05/43/35/813054335.db2.gz CZJDCRRDHFLUPA-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805552 813086396 /nfs/dbraw/zinc/08/63/96/813086396.db2.gz RBADMECHIHDROE-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805552 813086404 /nfs/dbraw/zinc/08/64/04/813086404.db2.gz RBADMECHIHDROE-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2n1 ZINC001205831160 813102012 /nfs/dbraw/zinc/10/20/12/813102012.db2.gz WRTSRPMBOTXBLC-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2n1 ZINC001205831160 813102014 /nfs/dbraw/zinc/10/20/14/813102014.db2.gz WRTSRPMBOTXBLC-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205855936 813110367 /nfs/dbraw/zinc/11/03/67/813110367.db2.gz QQMZFUMYCWTSLT-IAQYHMDHSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205855936 813110373 /nfs/dbraw/zinc/11/03/73/813110373.db2.gz QQMZFUMYCWTSLT-IAQYHMDHSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cnccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001205872365 813116926 /nfs/dbraw/zinc/11/69/26/813116926.db2.gz ABIGPZMTYMFYRW-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cnccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001205872365 813116932 /nfs/dbraw/zinc/11/69/32/813116932.db2.gz ABIGPZMTYMFYRW-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901169 813123428 /nfs/dbraw/zinc/12/34/28/813123428.db2.gz BNNMMMCNRPBJPR-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901169 813123431 /nfs/dbraw/zinc/12/34/31/813123431.db2.gz BNNMMMCNRPBJPR-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901776 813124800 /nfs/dbraw/zinc/12/48/00/813124800.db2.gz GERDFLWFOGUZJA-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901776 813124804 /nfs/dbraw/zinc/12/48/04/813124804.db2.gz GERDFLWFOGUZJA-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CO1 ZINC001206049024 813181749 /nfs/dbraw/zinc/18/17/49/813181749.db2.gz GVVYDAOCXXAZIO-JKSUJKDBSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CO1 ZINC001206049024 813181751 /nfs/dbraw/zinc/18/17/51/813181751.db2.gz GVVYDAOCXXAZIO-JKSUJKDBSA-N 2 2 292.398 3.077 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206378345 813308413 /nfs/dbraw/zinc/30/84/13/813308413.db2.gz GERAVNIACXYLDB-INIZCTEOSA-N 2 2 296.455 3.452 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206378345 813308420 /nfs/dbraw/zinc/30/84/20/813308420.db2.gz GERAVNIACXYLDB-INIZCTEOSA-N 2 2 296.455 3.452 20 0 CGADLP C1SCC12CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC001206477358 813330090 /nfs/dbraw/zinc/33/00/90/813330090.db2.gz NNEMUEQEDAUIMA-CVEARBPZSA-N 2 2 294.508 3.269 20 0 CGADLP C1SCC12CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC001206477358 813330094 /nfs/dbraw/zinc/33/00/94/813330094.db2.gz NNEMUEQEDAUIMA-CVEARBPZSA-N 2 2 294.508 3.269 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001206661381 813391505 /nfs/dbraw/zinc/39/15/05/813391505.db2.gz VXLWPIZNIIDCJL-BRWVUGGUSA-N 2 2 296.499 3.290 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001206660359 813392714 /nfs/dbraw/zinc/39/27/14/813392714.db2.gz BHOZJBDXDALCFW-GJZGRUSLSA-N 2 2 272.502 3.228 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001206737721 813414293 /nfs/dbraw/zinc/41/42/93/813414293.db2.gz QKOSTBYKFFOLEO-UHFFFAOYSA-N 2 2 278.446 3.257 20 0 CGADLP CC[N@H+](CCCc1ccccc1F)C1CC[NH+](C)CC1 ZINC001207493236 813575818 /nfs/dbraw/zinc/57/58/18/813575818.db2.gz JWQYFMARTPDKIE-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC[N@@H+](CCCc1ccccc1F)C1CC[NH+](C)CC1 ZINC001207493236 813575823 /nfs/dbraw/zinc/57/58/23/813575823.db2.gz JWQYFMARTPDKIE-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207495691 813578325 /nfs/dbraw/zinc/57/83/25/813578325.db2.gz AYSJKKZYHWCOTN-UHFFFAOYSA-N 2 2 290.426 3.317 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207495691 813578332 /nfs/dbraw/zinc/57/83/32/813578332.db2.gz AYSJKKZYHWCOTN-UHFFFAOYSA-N 2 2 290.426 3.317 20 0 CGADLP C[C@H](CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1)CC(C)(C)C ZINC001208665274 813789977 /nfs/dbraw/zinc/78/99/77/813789977.db2.gz PWYJKSUCSXFWFA-OAGGEKHMSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1)CC(C)(C)C ZINC001208665274 813789981 /nfs/dbraw/zinc/78/99/81/813789981.db2.gz PWYJKSUCSXFWFA-OAGGEKHMSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1)CC(C)(C)C ZINC001208665274 813789984 /nfs/dbraw/zinc/78/99/84/813789984.db2.gz PWYJKSUCSXFWFA-OAGGEKHMSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1)CC(C)(C)C ZINC001208665274 813789989 /nfs/dbraw/zinc/78/99/89/813789989.db2.gz PWYJKSUCSXFWFA-OAGGEKHMSA-N 2 2 266.473 3.475 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001208874382 813877568 /nfs/dbraw/zinc/87/75/68/813877568.db2.gz QCLJRHXAQSGPDU-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001208874382 813877580 /nfs/dbraw/zinc/87/75/80/813877580.db2.gz QCLJRHXAQSGPDU-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP FC(F)C1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947514 813908131 /nfs/dbraw/zinc/90/81/31/813908131.db2.gz LLZITMJGYCGSGK-OAHLLOKOSA-N 2 2 294.389 3.096 20 0 CGADLP FC(F)C1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947514 813908136 /nfs/dbraw/zinc/90/81/36/813908136.db2.gz LLZITMJGYCGSGK-OAHLLOKOSA-N 2 2 294.389 3.096 20 0 CGADLP CCOC(C)(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209076616 813927569 /nfs/dbraw/zinc/92/75/69/813927569.db2.gz QETIINYHYWJNNO-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP CCOC(C)(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209076616 813927571 /nfs/dbraw/zinc/92/75/71/813927571.db2.gz QETIINYHYWJNNO-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP CC(C)[N@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC001209517937 814071847 /nfs/dbraw/zinc/07/18/47/814071847.db2.gz IQSMSTAKYLFDPT-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC001209517937 814071853 /nfs/dbraw/zinc/07/18/53/814071853.db2.gz IQSMSTAKYLFDPT-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CNc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001242694248 823102214 /nfs/dbraw/zinc/10/22/14/823102214.db2.gz ONEFHGTVISRRHO-OAHLLOKOSA-N 2 2 257.381 3.155 20 0 CGADLP COc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1C(C)C ZINC001210497771 814489961 /nfs/dbraw/zinc/48/99/61/814489961.db2.gz NSMWMAHAXQZUDC-CQSZACIVSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1C(C)C ZINC001210497771 814489966 /nfs/dbraw/zinc/48/99/66/814489966.db2.gz NSMWMAHAXQZUDC-CQSZACIVSA-N 2 2 276.424 3.002 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210519598 814504637 /nfs/dbraw/zinc/50/46/37/814504637.db2.gz PZDRIZCAULSQCC-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210519598 814504644 /nfs/dbraw/zinc/50/46/44/814504644.db2.gz PZDRIZCAULSQCC-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(Oc2cccc(C[NH+]3CC(C[NH3+])C3)c2)cc1 ZINC001210545891 814517916 /nfs/dbraw/zinc/51/79/16/814517916.db2.gz SHQVAGPGEVFXTQ-UHFFFAOYSA-N 2 2 282.387 3.178 20 0 CGADLP COc1cc[nH+]c(Nc2c[nH+]cn2Cc2ccccc2)c1 ZINC001216550288 815855025 /nfs/dbraw/zinc/85/50/25/815855025.db2.gz UEBCOEPWMGBWJQ-UHFFFAOYSA-N 2 2 280.331 3.079 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192365 816372417 /nfs/dbraw/zinc/37/24/17/816372417.db2.gz VUYMOHQLKFWAGQ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192365 816372424 /nfs/dbraw/zinc/37/24/24/816372424.db2.gz VUYMOHQLKFWAGQ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237016 816381762 /nfs/dbraw/zinc/38/17/62/816381762.db2.gz DEYOZVBSUNUSSV-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237016 816381768 /nfs/dbraw/zinc/38/17/68/816381768.db2.gz DEYOZVBSUNUSSV-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1cccc(F)c1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222298543 816401232 /nfs/dbraw/zinc/40/12/32/816401232.db2.gz ZIYLIUCTPQYQBL-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP c1cc(-c2cccc(C[NH+]3CC4(C3)CC[NH2+]C4)c2)cs1 ZINC001222379527 816423546 /nfs/dbraw/zinc/42/35/46/816423546.db2.gz BXZRWTAAWMIERN-UHFFFAOYSA-N 2 2 284.428 3.210 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2c1 ZINC001222389798 816428741 /nfs/dbraw/zinc/42/87/41/816428741.db2.gz GLIVWELJNVSGRL-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc2c1 ZINC001222389798 816428746 /nfs/dbraw/zinc/42/87/46/816428746.db2.gz GLIVWELJNVSGRL-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222427116 816442624 /nfs/dbraw/zinc/44/26/24/816442624.db2.gz MBSDMXGBMLKCEL-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222427116 816442627 /nfs/dbraw/zinc/44/26/27/816442627.db2.gz MBSDMXGBMLKCEL-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1SC ZINC001231788181 818177011 /nfs/dbraw/zinc/17/70/11/818177011.db2.gz XHCPDWKHNRSGKF-UHFFFAOYSA-N 2 2 266.454 3.182 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1SC ZINC001231788181 818177015 /nfs/dbraw/zinc/17/70/15/818177015.db2.gz XHCPDWKHNRSGKF-UHFFFAOYSA-N 2 2 266.454 3.182 20 0 CGADLP COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234074988 818772530 /nfs/dbraw/zinc/77/25/30/818772530.db2.gz FLGJGHWZQQZLSM-GASCZTMLSA-N 2 2 299.418 3.359 20 0 CGADLP COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234074988 818772539 /nfs/dbraw/zinc/77/25/39/818772539.db2.gz FLGJGHWZQQZLSM-GASCZTMLSA-N 2 2 299.418 3.359 20 0 CGADLP COc1cc(C[N@@H+]2C[C@H](C)CC23CC3)ccc1-n1cc[nH+]c1 ZINC001234085509 818775606 /nfs/dbraw/zinc/77/56/06/818775606.db2.gz USBRQTFQYKIOAB-CQSZACIVSA-N 2 2 297.402 3.255 20 0 CGADLP COc1cc(C[N@H+]2C[C@H](C)CC23CC3)ccc1-n1cc[nH+]c1 ZINC001234085509 818775612 /nfs/dbraw/zinc/77/56/12/818775612.db2.gz USBRQTFQYKIOAB-CQSZACIVSA-N 2 2 297.402 3.255 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000929 818975047 /nfs/dbraw/zinc/97/50/47/818975047.db2.gz BPOCCVKMEUIHHD-WRECPOHLSA-N 2 2 274.452 3.029 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000929 818975050 /nfs/dbraw/zinc/97/50/50/818975050.db2.gz BPOCCVKMEUIHHD-WRECPOHLSA-N 2 2 274.452 3.029 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110121 819004927 /nfs/dbraw/zinc/00/49/27/819004927.db2.gz IXXQRIXUDSAYCT-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110121 819004931 /nfs/dbraw/zinc/00/49/31/819004931.db2.gz IXXQRIXUDSAYCT-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Fc1cccc2c(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)cccc12 ZINC001235115389 819009434 /nfs/dbraw/zinc/00/94/34/819009434.db2.gz QZPXIGFHEXBQAQ-SFHVURJKSA-N 2 2 284.378 3.307 20 0 CGADLP Fc1cccc2c(C[N@H+]3CCC[C@@]34CC[NH2+]C4)cccc12 ZINC001235115389 819009439 /nfs/dbraw/zinc/00/94/39/819009439.db2.gz QZPXIGFHEXBQAQ-SFHVURJKSA-N 2 2 284.378 3.307 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)ccc1C ZINC001235167099 819021694 /nfs/dbraw/zinc/02/16/94/819021694.db2.gz FPHKMBWJQJUAAG-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)ccc1C ZINC001235167099 819021701 /nfs/dbraw/zinc/02/17/01/819021701.db2.gz FPHKMBWJQJUAAG-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP c1cc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cs1 ZINC001235261749 819054723 /nfs/dbraw/zinc/05/47/23/819054723.db2.gz PRSOSMPCSUBYJQ-SJORKVTESA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cs1 ZINC001235261749 819054724 /nfs/dbraw/zinc/05/47/24/819054724.db2.gz PRSOSMPCSUBYJQ-SJORKVTESA-N 2 2 284.428 3.209 20 0 CGADLP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCC[NH2+]C1 ZINC001235342043 819071947 /nfs/dbraw/zinc/07/19/47/819071947.db2.gz GTWDASCRRBWEQO-ZDUSSCGKSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@H]1CCC[NH2+]C1 ZINC001235342043 819071953 /nfs/dbraw/zinc/07/19/53/819071953.db2.gz GTWDASCRRBWEQO-ZDUSSCGKSA-N 2 2 277.799 3.005 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347923 819075528 /nfs/dbraw/zinc/07/55/28/819075528.db2.gz URTJZVMFWKKTSW-MRXNPFEDSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347923 819075533 /nfs/dbraw/zinc/07/55/33/819075533.db2.gz URTJZVMFWKKTSW-MRXNPFEDSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403127 819085732 /nfs/dbraw/zinc/08/57/32/819085732.db2.gz KKSVJWXULCWHOV-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403127 819085737 /nfs/dbraw/zinc/08/57/37/819085737.db2.gz KKSVJWXULCWHOV-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc(C)c1Cl ZINC001235713206 819149031 /nfs/dbraw/zinc/14/90/31/819149031.db2.gz JRFQFINZSQHOQS-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc(C)c1Cl ZINC001235713206 819149034 /nfs/dbraw/zinc/14/90/34/819149034.db2.gz JRFQFINZSQHOQS-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC001235725520 819153466 /nfs/dbraw/zinc/15/34/66/819153466.db2.gz QNOBLWSJAALXBU-INIZCTEOSA-N 2 2 282.387 3.402 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC001235725520 819153470 /nfs/dbraw/zinc/15/34/70/819153470.db2.gz QNOBLWSJAALXBU-INIZCTEOSA-N 2 2 282.387 3.402 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001235901440 819210614 /nfs/dbraw/zinc/21/06/14/819210614.db2.gz ZTXMVLPWAYNIEC-UPJWGTAASA-N 2 2 280.378 3.414 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001235901440 819210618 /nfs/dbraw/zinc/21/06/18/819210618.db2.gz ZTXMVLPWAYNIEC-UPJWGTAASA-N 2 2 280.378 3.414 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001235924973 819223114 /nfs/dbraw/zinc/22/31/14/819223114.db2.gz DETIWBGGUQOFEX-NSHDSACASA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC001235924973 819223117 /nfs/dbraw/zinc/22/31/17/819223117.db2.gz DETIWBGGUQOFEX-NSHDSACASA-N 2 2 290.304 3.158 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)cc1Cl ZINC001235942908 819233960 /nfs/dbraw/zinc/23/39/60/819233960.db2.gz YPHCPNZFRLVTBX-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)cc1Cl ZINC001235942908 819233965 /nfs/dbraw/zinc/23/39/65/819233965.db2.gz YPHCPNZFRLVTBX-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959308 819247568 /nfs/dbraw/zinc/24/75/68/819247568.db2.gz NGFGSFJGMZDLQC-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235959308 819247573 /nfs/dbraw/zinc/24/75/73/819247573.db2.gz NGFGSFJGMZDLQC-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC(C)(C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001236018530 819275244 /nfs/dbraw/zinc/27/52/44/819275244.db2.gz VMMJMSICHDKUTJ-IAQYHMDHSA-N 2 2 296.867 3.244 20 0 CGADLP CC(C)(C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001236018530 819275250 /nfs/dbraw/zinc/27/52/50/819275250.db2.gz VMMJMSICHDKUTJ-IAQYHMDHSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046245 819283840 /nfs/dbraw/zinc/28/38/40/819283840.db2.gz FJVJWWRUBSBHJF-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046245 819283845 /nfs/dbraw/zinc/28/38/45/819283845.db2.gz FJVJWWRUBSBHJF-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053016 819289022 /nfs/dbraw/zinc/28/90/22/819289022.db2.gz XFMRDQDMDAXZHD-JXFKEZNVSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053016 819289027 /nfs/dbraw/zinc/28/90/27/819289027.db2.gz XFMRDQDMDAXZHD-JXFKEZNVSA-N 2 2 294.442 3.447 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001236142716 819343447 /nfs/dbraw/zinc/34/34/47/819343447.db2.gz CIEUAELTOVMWBP-UHFFFAOYSA-N 2 2 297.446 3.200 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001236142716 819343451 /nfs/dbraw/zinc/34/34/51/819343451.db2.gz CIEUAELTOVMWBP-UHFFFAOYSA-N 2 2 297.446 3.200 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cc(Br)cc(C(C)C)c1 ZINC001236145318 819344885 /nfs/dbraw/zinc/34/48/85/819344885.db2.gz YXTBFVCRIPWGBC-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cc(Br)cc(C(C)C)c1 ZINC001236145318 819344890 /nfs/dbraw/zinc/34/48/90/819344890.db2.gz YXTBFVCRIPWGBC-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205017 819367290 /nfs/dbraw/zinc/36/72/90/819367290.db2.gz FFVZBZKNODOYHN-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205017 819367295 /nfs/dbraw/zinc/36/72/95/819367295.db2.gz FFVZBZKNODOYHN-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC001236207393 819369843 /nfs/dbraw/zinc/36/98/43/819369843.db2.gz PIMLVKRQSVFGMC-SFHVURJKSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC001236207393 819369848 /nfs/dbraw/zinc/36/98/48/819369848.db2.gz PIMLVKRQSVFGMC-SFHVURJKSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209792 819372841 /nfs/dbraw/zinc/37/28/41/819372841.db2.gz ZXECNRQSOWRODU-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209792 819372844 /nfs/dbraw/zinc/37/28/44/819372844.db2.gz ZXECNRQSOWRODU-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214162 819376835 /nfs/dbraw/zinc/37/68/35/819376835.db2.gz CMXVCXBFWVHUEN-HUUCEWRRSA-N 2 2 258.365 3.135 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236214162 819376840 /nfs/dbraw/zinc/37/68/40/819376840.db2.gz CMXVCXBFWVHUEN-HUUCEWRRSA-N 2 2 258.365 3.135 20 0 CGADLP CC(C)Oc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1F ZINC001236219241 819386172 /nfs/dbraw/zinc/38/61/72/819386172.db2.gz UYIMAUXWIGLLHO-CVEARBPZSA-N 2 2 294.414 3.315 20 0 CGADLP CC(C)Oc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1F ZINC001236219241 819386179 /nfs/dbraw/zinc/38/61/79/819386179.db2.gz UYIMAUXWIGLLHO-CVEARBPZSA-N 2 2 294.414 3.315 20 0 CGADLP CC(C)Oc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC001236219242 819386607 /nfs/dbraw/zinc/38/66/07/819386607.db2.gz UYIMAUXWIGLLHO-HOTGVXAUSA-N 2 2 294.414 3.315 20 0 CGADLP CC(C)Oc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC001236219242 819386612 /nfs/dbraw/zinc/38/66/12/819386612.db2.gz UYIMAUXWIGLLHO-HOTGVXAUSA-N 2 2 294.414 3.315 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC001236422477 819468785 /nfs/dbraw/zinc/46/87/85/819468785.db2.gz WTWUSVCKEKAEDH-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001236422477 819468787 /nfs/dbraw/zinc/46/87/87/819468787.db2.gz WTWUSVCKEKAEDH-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP Cc1c(F)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236476598 819493900 /nfs/dbraw/zinc/49/39/00/819493900.db2.gz ZIMLNRMLBBZQIZ-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1c(F)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236476598 819493902 /nfs/dbraw/zinc/49/39/02/819493902.db2.gz ZIMLNRMLBBZQIZ-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236529957 819521309 /nfs/dbraw/zinc/52/13/09/819521309.db2.gz PKLGCAZHVBUFMC-QGZVFWFLSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236529957 819521314 /nfs/dbraw/zinc/52/13/14/819521314.db2.gz PKLGCAZHVBUFMC-QGZVFWFLSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC001236529636 819521728 /nfs/dbraw/zinc/52/17/28/819521728.db2.gz PDXMQTYMIFGFRP-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC001236529636 819521733 /nfs/dbraw/zinc/52/17/33/819521733.db2.gz PDXMQTYMIFGFRP-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684628 819572279 /nfs/dbraw/zinc/57/22/79/819572279.db2.gz TXNHQNIDTYCZMN-GDBMZVCRSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684628 819572282 /nfs/dbraw/zinc/57/22/82/819572282.db2.gz TXNHQNIDTYCZMN-GDBMZVCRSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684628 819572287 /nfs/dbraw/zinc/57/22/87/819572287.db2.gz TXNHQNIDTYCZMN-GDBMZVCRSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684628 819572299 /nfs/dbraw/zinc/57/22/99/819572299.db2.gz TXNHQNIDTYCZMN-GDBMZVCRSA-N 2 2 286.444 3.427 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866312 819626057 /nfs/dbraw/zinc/62/60/57/819626057.db2.gz ZATSNRQJWFZKDG-INIZCTEOSA-N 2 2 278.440 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866312 819626059 /nfs/dbraw/zinc/62/60/59/819626059.db2.gz ZATSNRQJWFZKDG-INIZCTEOSA-N 2 2 278.440 3.425 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001236898916 819633027 /nfs/dbraw/zinc/63/30/27/819633027.db2.gz AZHVJPJKKNCIAZ-ZDUSSCGKSA-N 2 2 288.366 3.397 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001236898916 819633030 /nfs/dbraw/zinc/63/30/30/819633030.db2.gz AZHVJPJKKNCIAZ-ZDUSSCGKSA-N 2 2 288.366 3.397 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001236909966 819636371 /nfs/dbraw/zinc/63/63/71/819636371.db2.gz YBTWVLQFCAYGCP-LBPRGKRZSA-N 2 2 290.357 3.411 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001236909966 819636377 /nfs/dbraw/zinc/63/63/77/819636377.db2.gz YBTWVLQFCAYGCP-LBPRGKRZSA-N 2 2 290.357 3.411 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909675 819637190 /nfs/dbraw/zinc/63/71/90/819637190.db2.gz VELMOZZFTAROHG-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909675 819637193 /nfs/dbraw/zinc/63/71/93/819637193.db2.gz VELMOZZFTAROHG-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237056157 819654764 /nfs/dbraw/zinc/65/47/64/819654764.db2.gz GZOKACOPVLZFAR-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237056157 819654769 /nfs/dbraw/zinc/65/47/69/819654769.db2.gz GZOKACOPVLZFAR-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP Cn1ccc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001237155868 819682483 /nfs/dbraw/zinc/68/24/83/819682483.db2.gz UFSZQKZRRRYION-GOSISDBHSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1ccc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001237155868 819682485 /nfs/dbraw/zinc/68/24/85/819682485.db2.gz UFSZQKZRRRYION-GOSISDBHSA-N 2 2 297.446 3.285 20 0 CGADLP Cc1cc(F)cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237156046 819682557 /nfs/dbraw/zinc/68/25/57/819682557.db2.gz NKQZXFTZJYCXRF-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237156046 819682562 /nfs/dbraw/zinc/68/25/62/819682562.db2.gz NKQZXFTZJYCXRF-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001237204721 819697221 /nfs/dbraw/zinc/69/72/21/819697221.db2.gz SKTMONHJEAKJPZ-BEFAXECRSA-N 2 2 280.415 3.199 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001237204721 819697224 /nfs/dbraw/zinc/69/72/24/819697224.db2.gz SKTMONHJEAKJPZ-BEFAXECRSA-N 2 2 280.415 3.199 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237404703 819745563 /nfs/dbraw/zinc/74/55/63/819745563.db2.gz OWUNVBXQBSGMFH-DGCLKSJQSA-N 2 2 282.478 3.044 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237404703 819745566 /nfs/dbraw/zinc/74/55/66/819745566.db2.gz OWUNVBXQBSGMFH-DGCLKSJQSA-N 2 2 282.478 3.044 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237735216 819826131 /nfs/dbraw/zinc/82/61/31/819826131.db2.gz MUEJNLWKLNVHLB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237735216 819826139 /nfs/dbraw/zinc/82/61/39/819826139.db2.gz MUEJNLWKLNVHLB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237735216 819826146 /nfs/dbraw/zinc/82/61/46/819826146.db2.gz MUEJNLWKLNVHLB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237735216 819826153 /nfs/dbraw/zinc/82/61/53/819826153.db2.gz MUEJNLWKLNVHLB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001237971226 819901555 /nfs/dbraw/zinc/90/15/55/819901555.db2.gz BUJLLCLIMAHNHR-OAHLLOKOSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001237971226 819901562 /nfs/dbraw/zinc/90/15/62/819901562.db2.gz BUJLLCLIMAHNHR-OAHLLOKOSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238102323 819933711 /nfs/dbraw/zinc/93/37/11/819933711.db2.gz BBRUKSFQSVSKQI-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2cccc3c[nH+]cn32)c1 ZINC001238102323 819933717 /nfs/dbraw/zinc/93/37/17/819933717.db2.gz BBRUKSFQSVSKQI-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1ccc(O)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001238110985 819935910 /nfs/dbraw/zinc/93/59/10/819935910.db2.gz SCSSYJXBTNOTNC-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP CC[N@H+](Cc1cccs1)Cc1cccc2c[nH+]cn21 ZINC001238111950 819936148 /nfs/dbraw/zinc/93/61/48/819936148.db2.gz ZQPMKKKJRRGDSG-UHFFFAOYSA-N 2 2 271.389 3.418 20 0 CGADLP CC[N@@H+](Cc1cccs1)Cc1cccc2c[nH+]cn21 ZINC001238111950 819936152 /nfs/dbraw/zinc/93/61/52/819936152.db2.gz ZQPMKKKJRRGDSG-UHFFFAOYSA-N 2 2 271.389 3.418 20 0 CGADLP C[NH+]1CCC(c2ccc(-c3nc4[nH]ccc4c[nH+]3)cc2)CC1 ZINC001243650315 823474946 /nfs/dbraw/zinc/47/49/46/823474946.db2.gz KPZLWPMQVZEUQX-UHFFFAOYSA-N 2 2 292.386 3.386 20 0 CGADLP C[NH+](C)Cc1ccnc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243655360 823475819 /nfs/dbraw/zinc/47/58/19/823475819.db2.gz ACMODAZCLKKBPW-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP C[C@H]([NH3+])c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001243660235 823478303 /nfs/dbraw/zinc/47/83/03/823478303.db2.gz QZGMQAQXVOWMPN-ZDUSSCGKSA-N 2 2 278.359 3.013 20 0 CGADLP c1cn2ccc(-c3ccc([C@H]4CC[NH2+]C4)cc3)cc2[nH+]1 ZINC001240512970 821108131 /nfs/dbraw/zinc/10/81/31/821108131.db2.gz FCFXPSMLDHXOKD-INIZCTEOSA-N 2 2 263.344 3.078 20 0 CGADLP CSc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241314147 821724943 /nfs/dbraw/zinc/72/49/43/821724943.db2.gz JPOHFEFEVDCENN-UHFFFAOYSA-N 2 2 295.411 3.410 20 0 CGADLP CCc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241546622 821937447 /nfs/dbraw/zinc/93/74/47/821937447.db2.gz MAPAGYYVHYRJLC-UHFFFAOYSA-N 2 2 277.371 3.251 20 0 CGADLP Cc1c(F)c(F)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242306269 822945903 /nfs/dbraw/zinc/94/59/03/822945903.db2.gz USKRODOGJDVVFX-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP FC(F)(F)CCC[NH2+]CCCCNc1cccc[nH+]1 ZINC001335446391 936146217 /nfs/dbraw/zinc/14/62/17/936146217.db2.gz YTDUDKMGSWAEOQ-UHFFFAOYSA-N 2 2 275.318 3.206 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=CC[C@H](C)CC1 ZINC001344484580 936535856 /nfs/dbraw/zinc/53/58/56/936535856.db2.gz CDBNGEUARCVNTL-LBPRGKRZSA-N 2 2 296.374 3.261 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000821502031 927279602 /nfs/dbraw/zinc/27/96/02/927279602.db2.gz FXZQLGFTPKZVPZ-IZNAZMGOSA-N 2 2 269.392 3.212 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]C2CCC(C3CCC3)CC2)CCSC1 ZINC001560363585 937212908 /nfs/dbraw/zinc/21/29/08/937212908.db2.gz BADGRDDEMFNBKR-JCYILVPMSA-N 2 2 296.524 3.372 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929677 937238682 /nfs/dbraw/zinc/23/86/82/937238682.db2.gz GJCDAHGRUGSNMP-ARFHVFGLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)CC1CCCCC1 ZINC001461518515 928755979 /nfs/dbraw/zinc/75/59/79/928755979.db2.gz BBBWZQMQQKWIOM-FUHWJXTLSA-N 2 2 296.499 3.029 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)CC1CCCCC1 ZINC001461518515 928755987 /nfs/dbraw/zinc/75/59/87/928755987.db2.gz BBBWZQMQQKWIOM-FUHWJXTLSA-N 2 2 296.499 3.029 20 0 CGADLP C[N@H+](Cc1cc[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179461089 932015330 /nfs/dbraw/zinc/01/53/30/932015330.db2.gz NWFMFRZFVHKRKV-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP C[N@@H+](Cc1cc[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000179461089 932015337 /nfs/dbraw/zinc/01/53/37/932015337.db2.gz NWFMFRZFVHKRKV-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC001460989292 937558144 /nfs/dbraw/zinc/55/81/44/937558144.db2.gz MDEDXPXKVYGFJR-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC001460989292 937558146 /nfs/dbraw/zinc/55/81/46/937558146.db2.gz MDEDXPXKVYGFJR-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001461045505 937561572 /nfs/dbraw/zinc/56/15/72/937561572.db2.gz QMDPEPFMFFVGBT-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001461045505 937561575 /nfs/dbraw/zinc/56/15/75/937561575.db2.gz QMDPEPFMFFVGBT-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001461666084 937591163 /nfs/dbraw/zinc/59/11/63/937591163.db2.gz GRXDMZCOXYVEAV-GFCCVEGCSA-N 2 2 268.832 3.332 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001462427592 937639997 /nfs/dbraw/zinc/63/99/97/937639997.db2.gz LDKJGXJJJXDQES-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cccnc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033646 933037252 /nfs/dbraw/zinc/03/72/52/933037252.db2.gz NPXGYYSFYXAUHS-GOSISDBHSA-N 2 2 292.386 3.118 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)c1 ZINC001308053188 933040280 /nfs/dbraw/zinc/04/02/80/933040280.db2.gz QKPLVGQPMSJQPP-MSOLQXFVSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1 ZINC001308053188 933040289 /nfs/dbraw/zinc/04/02/89/933040289.db2.gz QKPLVGQPMSJQPP-MSOLQXFVSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c(C)c1 ZINC001308053188 933040295 /nfs/dbraw/zinc/04/02/95/933040295.db2.gz QKPLVGQPMSJQPP-MSOLQXFVSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c(C)c1 ZINC001308053188 933040299 /nfs/dbraw/zinc/04/02/99/933040299.db2.gz QKPLVGQPMSJQPP-MSOLQXFVSA-N 2 2 272.436 3.280 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC001308234776 933078821 /nfs/dbraw/zinc/07/88/21/933078821.db2.gz XZAQIZKCHLOOKA-GFCCVEGCSA-N 2 2 284.831 3.169 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C[C@H]1OC ZINC001462642311 937656027 /nfs/dbraw/zinc/65/60/27/937656027.db2.gz FFHOYQPOEITSIS-ARFHVFGLSA-N 2 2 284.488 3.146 20 0 CGADLP CCc1cnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC001308245318 933080166 /nfs/dbraw/zinc/08/01/66/933080166.db2.gz VTUOWFAJYTVYMU-UHFFFAOYSA-N 2 2 290.436 3.082 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308292156 933089814 /nfs/dbraw/zinc/08/98/14/933089814.db2.gz DHJNNFFFVGRKNV-MRXNPFEDSA-N 2 2 295.430 3.323 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308292156 933089818 /nfs/dbraw/zinc/08/98/18/933089818.db2.gz DHJNNFFFVGRKNV-MRXNPFEDSA-N 2 2 295.430 3.323 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321719 933094914 /nfs/dbraw/zinc/09/49/14/933094914.db2.gz FYECQRPLDRVDDF-AUUYWEPGSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321719 933094918 /nfs/dbraw/zinc/09/49/18/933094918.db2.gz FYECQRPLDRVDDF-AUUYWEPGSA-N 2 2 280.415 3.412 20 0 CGADLP CS[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001308385865 933105285 /nfs/dbraw/zinc/10/52/85/933105285.db2.gz TVMZZLGTXSAALZ-GJZGRUSLSA-N 2 2 284.513 3.372 20 0 CGADLP CS[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001308385865 933105287 /nfs/dbraw/zinc/10/52/87/933105287.db2.gz TVMZZLGTXSAALZ-GJZGRUSLSA-N 2 2 284.513 3.372 20 0 CGADLP CCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001308483592 933117632 /nfs/dbraw/zinc/11/76/32/933117632.db2.gz AIPFSMSASIAURL-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001308483592 933117636 /nfs/dbraw/zinc/11/76/36/933117636.db2.gz AIPFSMSASIAURL-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H]3CCCC[N@@H+]3C)cccc12 ZINC001308542301 933128035 /nfs/dbraw/zinc/12/80/35/933128035.db2.gz FIEZJJYVLTXCPH-MRXNPFEDSA-N 2 2 298.430 3.422 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H]3CCCC[N@H+]3C)cccc12 ZINC001308542301 933128038 /nfs/dbraw/zinc/12/80/38/933128038.db2.gz FIEZJJYVLTXCPH-MRXNPFEDSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001308920165 933205018 /nfs/dbraw/zinc/20/50/18/933205018.db2.gz WNDXSKFLIDFYGT-AOIWGVFYSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308920165 933205027 /nfs/dbraw/zinc/20/50/27/933205027.db2.gz WNDXSKFLIDFYGT-AOIWGVFYSA-N 2 2 284.447 3.453 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 ZINC001308956894 933213432 /nfs/dbraw/zinc/21/34/32/933213432.db2.gz SYBQGERYICHAOH-QEJZJMRPSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 ZINC001308956894 933213438 /nfs/dbraw/zinc/21/34/38/933213438.db2.gz SYBQGERYICHAOH-QEJZJMRPSA-N 2 2 294.389 3.285 20 0 CGADLP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]c2ccccc12 ZINC001320737674 934095669 /nfs/dbraw/zinc/09/56/69/934095669.db2.gz YJCXTXBIKOJNEX-QAPCUYQASA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]c2ccccc12 ZINC001320737674 934095678 /nfs/dbraw/zinc/09/56/78/934095678.db2.gz YJCXTXBIKOJNEX-QAPCUYQASA-N 2 2 295.430 3.464 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001332944498 935498987 /nfs/dbraw/zinc/49/89/87/935498987.db2.gz CJKKFUXORPGDMK-PBFPGSCMSA-N 2 2 258.409 3.040 20 0 CGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(C)cs1 ZINC001336716838 936209193 /nfs/dbraw/zinc/20/91/93/936209193.db2.gz MQQQUBDAHIYSNQ-GSPSYOTPSA-N 2 2 279.453 3.117 20 0 CGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(C)cs1 ZINC001336716838 936209197 /nfs/dbraw/zinc/20/91/97/936209197.db2.gz MQQQUBDAHIYSNQ-GSPSYOTPSA-N 2 2 279.453 3.117 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842108 937824852 /nfs/dbraw/zinc/82/48/52/937824852.db2.gz JXLSOKBFHZDNBL-ZENOOKHLSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001473842108 937824854 /nfs/dbraw/zinc/82/48/54/937824854.db2.gz JXLSOKBFHZDNBL-ZENOOKHLSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842108 937824856 /nfs/dbraw/zinc/82/48/56/937824856.db2.gz JXLSOKBFHZDNBL-ZENOOKHLSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842108 937824857 /nfs/dbraw/zinc/82/48/57/937824857.db2.gz JXLSOKBFHZDNBL-ZENOOKHLSA-N 2 2 278.827 3.285 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641742 937872227 /nfs/dbraw/zinc/87/22/27/937872227.db2.gz HGSLLSRYCIOSQM-ZWKOTPCHSA-N 2 2 274.452 3.390 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641742 937872229 /nfs/dbraw/zinc/87/22/29/937872229.db2.gz HGSLLSRYCIOSQM-ZWKOTPCHSA-N 2 2 274.452 3.390 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC001474756078 937879350 /nfs/dbraw/zinc/87/93/50/937879350.db2.gz YQXIQMZNKPSWOB-NSCUHMNNSA-N 2 2 299.393 3.452 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337789 938151493 /nfs/dbraw/zinc/15/14/93/938151493.db2.gz YDUKYIKSJSYZAT-UONOGXRCSA-N 2 2 263.429 3.282 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337789 938151494 /nfs/dbraw/zinc/15/14/94/938151494.db2.gz YDUKYIKSJSYZAT-UONOGXRCSA-N 2 2 263.429 3.282 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549088010 938155105 /nfs/dbraw/zinc/15/51/05/938155105.db2.gz CIZNZMQQYQJNRR-WBMJQRKESA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2C[C@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC001549088010 938155106 /nfs/dbraw/zinc/15/51/06/938155106.db2.gz CIZNZMQQYQJNRR-WBMJQRKESA-N 2 2 293.480 3.001 20 0 CGADLP Cc1ccc2[nH]c(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)[nH+]c2c1 ZINC001551225613 938178211 /nfs/dbraw/zinc/17/82/11/938178211.db2.gz MKZJPBDJMQVMSB-SOUVJXGZSA-N 2 2 298.434 3.038 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001551377387 938180376 /nfs/dbraw/zinc/18/03/76/938180376.db2.gz HSQGPBSOTLCOIY-FWIFWCIWSA-N 2 2 298.352 3.322 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1N(C)C ZINC001551376633 938180388 /nfs/dbraw/zinc/18/03/88/938180388.db2.gz BJGCQQOPZNVAHZ-IXDGSTSKSA-N 2 2 295.430 3.028 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)F)C1 ZINC001551377112 938180419 /nfs/dbraw/zinc/18/04/19/938180419.db2.gz CYLQSDNXEOFUCY-NZBPQXDJSA-N 2 2 280.362 3.025 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551378350 938180611 /nfs/dbraw/zinc/18/06/11/938180611.db2.gz OUCRJYPUZNFXLV-VHSSKADRSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc(F)cc1 ZINC001551378133 938180665 /nfs/dbraw/zinc/18/06/65/938180665.db2.gz MRIJTKCDRZEWAY-GOPGUHFVSA-N 2 2 270.351 3.101 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H](c1cccnc1)C1CCC1 ZINC001551379682 938180836 /nfs/dbraw/zinc/18/08/36/938180836.db2.gz ZRXFEWYOYWOSNL-OTWHNJEPSA-N 2 2 293.414 3.137 20 0 CGADLP Cc1cc(C[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])c(C)s1 ZINC001551403564 938181777 /nfs/dbraw/zinc/18/17/77/938181777.db2.gz SHDPAOQIMRAZAA-JKSUJKDBSA-N 2 2 272.417 3.079 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC001551403050 938181906 /nfs/dbraw/zinc/18/19/06/938181906.db2.gz QWTUOFNVGCKPDY-CVEARBPZSA-N 2 2 288.341 3.339 20 0 CGADLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1cscc1Cl ZINC001553026213 938195984 /nfs/dbraw/zinc/19/59/84/938195984.db2.gz VFFQZSIVLFLCCC-RTXFEEFZSA-N 2 2 284.856 3.268 20 0 CGADLP Cc1cc2cc(C[NH2+]CCn3cc[nH+]c3)oc2cc1C ZINC001560247568 938249258 /nfs/dbraw/zinc/24/92/58/938249258.db2.gz LIDGPEOPFGWMKP-UHFFFAOYSA-N 2 2 269.348 3.036 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC001560365245 938255545 /nfs/dbraw/zinc/25/55/45/938255545.db2.gz QVYGBZYUKONDEW-CABCVRRESA-N 2 2 261.413 3.442 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC001560487160 938260219 /nfs/dbraw/zinc/26/02/19/938260219.db2.gz ALRDZGPMHZDDGD-LBPRGKRZSA-N 2 2 284.831 3.026 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001560807405 938277165 /nfs/dbraw/zinc/27/71/65/938277165.db2.gz DPEODGYWTKBCCG-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001560807405 938277166 /nfs/dbraw/zinc/27/71/66/938277166.db2.gz DPEODGYWTKBCCG-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576302168 962450382 /nfs/dbraw/zinc/45/03/82/962450382.db2.gz SFELRGRCGGPGKO-QMTHXVAHSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576302168 962450389 /nfs/dbraw/zinc/45/03/89/962450389.db2.gz SFELRGRCGGPGKO-QMTHXVAHSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@]2(C)CC2(Cl)Cl)[C@H]1C ZINC001576648754 962486382 /nfs/dbraw/zinc/48/63/82/962486382.db2.gz AYHLFOOZGMBDLI-WRWGMCAJSA-N 2 2 279.255 3.018 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@]2(C)CC2(Cl)Cl)[C@H]1C ZINC001576648754 962486396 /nfs/dbraw/zinc/48/63/96/962486396.db2.gz AYHLFOOZGMBDLI-WRWGMCAJSA-N 2 2 279.255 3.018 20 0 CGADLP COCC[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccco1 ZINC001579005526 962607909 /nfs/dbraw/zinc/60/79/09/962607909.db2.gz RFKYBKDWGXTOLE-KGLIPLIRSA-N 2 2 282.428 3.100 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@](C)(C[NH3+])CC(C)C ZINC001579219429 962613233 /nfs/dbraw/zinc/61/32/33/962613233.db2.gz CWGFNZRFATWIJF-HNNXBMFYSA-N 2 2 284.831 3.202 20 0 CGADLP Cc1cc(C)c2cc(NCC(C)(C)C[NH3+])ccc2[nH+]1 ZINC001579577088 962636133 /nfs/dbraw/zinc/63/61/33/962636133.db2.gz YWDDMQNIFTWXJU-UHFFFAOYSA-N 2 2 257.381 3.248 20 0 CGADLP Cc1cc(CN2CC[NH2+]Cc3c(C)cccc32)cc(C)[nH+]1 ZINC001579598348 962637946 /nfs/dbraw/zinc/63/79/46/962637946.db2.gz QROFVIHKHSAAHX-UHFFFAOYSA-N 2 2 281.403 3.117 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294952571 199268333 /nfs/dbraw/zinc/26/83/33/199268333.db2.gz CEMAHDGWNSZLGL-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294952571 199268335 /nfs/dbraw/zinc/26/83/35/199268335.db2.gz CEMAHDGWNSZLGL-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337387281 214045504 /nfs/dbraw/zinc/04/55/04/214045504.db2.gz LVGUCTRFVANGBY-QKPAOTATSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337387281 214045507 /nfs/dbraw/zinc/04/55/07/214045507.db2.gz LVGUCTRFVANGBY-QKPAOTATSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)cc[nH+]1 ZINC000621298882 349491825 /nfs/dbraw/zinc/49/18/25/349491825.db2.gz NGJMCWYMGSIQIT-VXGBXAGGSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676048 398267548 /nfs/dbraw/zinc/26/75/48/398267548.db2.gz MNWZFSBGPLFXOQ-MFKMUULPSA-N 2 2 293.773 3.341 20 0 CGADLP c1cn2c(cccc2C[NH+]2CC(Cc3ccsc3)C2)[nH+]1 ZINC000621741328 349578833 /nfs/dbraw/zinc/57/88/33/349578833.db2.gz MVAUQLNMWJTGNM-UHFFFAOYSA-N 2 2 283.400 3.070 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781598 349584910 /nfs/dbraw/zinc/58/49/10/349584910.db2.gz GTDNNEAHROKQMZ-LYRGGWFBSA-N 2 2 280.362 3.229 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781598 349584913 /nfs/dbraw/zinc/58/49/13/349584913.db2.gz GTDNNEAHROKQMZ-LYRGGWFBSA-N 2 2 280.362 3.229 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777965 349585370 /nfs/dbraw/zinc/58/53/70/349585370.db2.gz JFWNQRYNBMILDM-OCCSQVGLSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777965 349585372 /nfs/dbraw/zinc/58/53/72/349585372.db2.gz JFWNQRYNBMILDM-OCCSQVGLSA-N 2 2 284.325 3.019 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000049509004 290638177 /nfs/dbraw/zinc/63/81/77/290638177.db2.gz DMFMAMOUVCZTJV-LLVKDONJSA-N 2 2 252.789 3.085 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000337996241 214351953 /nfs/dbraw/zinc/35/19/53/214351953.db2.gz NLMPEPDSUUZIFU-GBESFXJTSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2)cc1 ZINC000337996241 214351956 /nfs/dbraw/zinc/35/19/56/214351956.db2.gz NLMPEPDSUUZIFU-GBESFXJTSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000338004924 214355530 /nfs/dbraw/zinc/35/55/30/214355530.db2.gz YRXCQBPLFAIACE-JHNDHUHGSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@H+]1CCCC[C@H]1C ZINC000338004924 214355531 /nfs/dbraw/zinc/35/55/31/214355531.db2.gz YRXCQBPLFAIACE-JHNDHUHGSA-N 2 2 264.457 3.418 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2(C3CCC3)CC2)CC1 ZINC000651983646 398316213 /nfs/dbraw/zinc/31/62/13/398316213.db2.gz FGRASZWZQNSYER-UHFFFAOYSA-N 2 2 290.373 3.326 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)C[NH+](C)C ZINC000652200847 398327323 /nfs/dbraw/zinc/32/73/23/398327323.db2.gz MDZUIXXNQNPBER-ZWNOBZJWSA-N 2 2 284.806 3.254 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423463970 529453970 /nfs/dbraw/zinc/45/39/70/529453970.db2.gz LOXMHSWKCZTBQU-YPMHNXCESA-N 2 2 275.421 3.198 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423313693 529501458 /nfs/dbraw/zinc/50/14/58/529501458.db2.gz GBCDXLPFINTENH-XHDPSFHLSA-N 2 2 272.392 3.383 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1F ZINC000423289327 529589998 /nfs/dbraw/zinc/58/99/98/529589998.db2.gz WTQRCWJKNXRQKN-NSHDSACASA-N 2 2 258.768 3.257 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccncc1 ZINC000423507113 529611812 /nfs/dbraw/zinc/61/18/12/529611812.db2.gz PQLVAWHDLRCSRD-ROUUACIJSA-N 2 2 283.419 3.385 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@H]1C ZINC000623089523 349758783 /nfs/dbraw/zinc/75/87/83/349758783.db2.gz LAAJKBZPUAFAAB-UMVBOHGHSA-N 2 2 288.426 3.378 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623372799 349792682 /nfs/dbraw/zinc/79/26/82/349792682.db2.gz GKICBQBBGVODTI-WBAXXEDZSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623372799 349792685 /nfs/dbraw/zinc/79/26/85/349792685.db2.gz GKICBQBBGVODTI-WBAXXEDZSA-N 2 2 272.436 3.143 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1c(C)nn(C)c1C ZINC000422798697 529662959 /nfs/dbraw/zinc/66/29/59/529662959.db2.gz SKQDJGNMCQVNKY-YESZJQIVSA-N 2 2 298.434 3.222 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423560603 529669032 /nfs/dbraw/zinc/66/90/32/529669032.db2.gz VEVLWYQIBMXQNG-IAOVAPTHSA-N 2 2 276.424 3.124 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000273159548 192061238 /nfs/dbraw/zinc/06/12/38/192061238.db2.gz KATVPBUFXORRRE-LSDHHAIUSA-N 2 2 287.407 3.248 20 0 CGADLP CC(C)[NH2+]C1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000335748400 136377367 /nfs/dbraw/zinc/37/73/67/136377367.db2.gz ACFYKBJCCHWNSA-UHFFFAOYSA-N 2 2 287.382 3.341 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351351176 219093832 /nfs/dbraw/zinc/09/38/32/219093832.db2.gz NLYIRFMUAOSHDN-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351351176 219093834 /nfs/dbraw/zinc/09/38/34/219093834.db2.gz NLYIRFMUAOSHDN-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000623729167 349871924 /nfs/dbraw/zinc/87/19/24/349871924.db2.gz QTJQWWLDRGUVBA-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1ccc[nH+]c1NCc1ncc(C[NH+](C)C)s1 ZINC000351543094 219121576 /nfs/dbraw/zinc/12/15/76/219121576.db2.gz DYQQSDPXCBQZIG-UHFFFAOYSA-N 2 2 290.436 3.335 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2CC(F)(F)F)n1C ZINC000623822048 349889367 /nfs/dbraw/zinc/88/93/67/349889367.db2.gz SATVUTQASLAVKZ-UHFFFAOYSA-N 2 2 297.324 3.123 20 0 CGADLP c1cn(CCCC[NH2+]C2CC(c3ccccc3)C2)c[nH+]1 ZINC000045105941 345021070 /nfs/dbraw/zinc/02/10/70/345021070.db2.gz PGSIZEHNMKHHDI-UHFFFAOYSA-N 2 2 269.392 3.199 20 0 CGADLP c1[nH]c(C[NH2+]C2(c3ccccc3)CCCCC2)c[nH+]1 ZINC000073007854 345426769 /nfs/dbraw/zinc/42/67/69/345426769.db2.gz IQPRYDFKXIZCFH-UHFFFAOYSA-N 2 2 255.365 3.359 20 0 CGADLP C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070975811 345400172 /nfs/dbraw/zinc/40/01/72/345400172.db2.gz XXFTUKMFISHVTC-HNNXBMFYSA-N 2 2 292.386 3.251 20 0 CGADLP C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070975811 345400174 /nfs/dbraw/zinc/40/01/74/345400174.db2.gz XXFTUKMFISHVTC-HNNXBMFYSA-N 2 2 292.386 3.251 20 0 CGADLP CCCOc1ccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071314903 345402268 /nfs/dbraw/zinc/40/22/68/345402268.db2.gz LPTJIJAELIQBMP-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071314903 345402270 /nfs/dbraw/zinc/40/22/70/345402270.db2.gz LPTJIJAELIQBMP-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000135134851 232199831 /nfs/dbraw/zinc/19/98/31/232199831.db2.gz XWQSHGJKMSKJMU-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000135134851 232199834 /nfs/dbraw/zinc/19/98/34/232199834.db2.gz XWQSHGJKMSKJMU-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP Cc1nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000078265197 345597764 /nfs/dbraw/zinc/59/77/64/345597764.db2.gz SJMXGULPRQEMRQ-AWEZNQCLSA-N 2 2 296.418 3.423 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961766 345692788 /nfs/dbraw/zinc/69/27/88/345692788.db2.gz SIPUHFFCBVLSKG-OCCSQVGLSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961766 345692789 /nfs/dbraw/zinc/69/27/89/345692789.db2.gz SIPUHFFCBVLSKG-OCCSQVGLSA-N 2 2 273.355 3.489 20 0 CGADLP Clc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961099 345692865 /nfs/dbraw/zinc/69/28/65/345692865.db2.gz YLWWKEWVFHHSKC-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961099 345692867 /nfs/dbraw/zinc/69/28/67/345692867.db2.gz YLWWKEWVFHHSKC-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000080973861 345693388 /nfs/dbraw/zinc/69/33/88/345693388.db2.gz BUEDXECCZHRCQC-GFCCVEGCSA-N 2 2 288.395 3.075 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000080973861 345693391 /nfs/dbraw/zinc/69/33/91/345693391.db2.gz BUEDXECCZHRCQC-GFCCVEGCSA-N 2 2 288.395 3.075 20 0 CGADLP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000085688226 345747649 /nfs/dbraw/zinc/74/76/49/345747649.db2.gz UZQNGHUFGOUAEY-GFCCVEGCSA-N 2 2 276.428 3.051 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1 ZINC000091282964 345810160 /nfs/dbraw/zinc/81/01/60/345810160.db2.gz ZDVOPNNWPMNUKR-SFHVURJKSA-N 2 2 294.402 3.259 20 0 CGADLP CC(C)c1cc(NCCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000091424559 345812804 /nfs/dbraw/zinc/81/28/04/345812804.db2.gz GIRUDCRALSBOQL-UHFFFAOYSA-N 2 2 287.411 3.422 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2ccccc21 ZINC000090846718 345795466 /nfs/dbraw/zinc/79/54/66/345795466.db2.gz XTSVVZSHMSVOSH-KRWDZBQOSA-N 2 2 252.361 3.210 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000090847506 345796154 /nfs/dbraw/zinc/79/61/54/345796154.db2.gz QRYMMYGXPMYYTE-CQSZACIVSA-N 2 2 272.396 3.061 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821933 345859840 /nfs/dbraw/zinc/85/98/40/345859840.db2.gz GVVGGOGSYWFGJK-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092821933 345859844 /nfs/dbraw/zinc/85/98/44/345859844.db2.gz GVVGGOGSYWFGJK-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP C[C@H](CCNc1cc[nH+]c(C2CC2)n1)[NH+]1CCCCC1 ZINC000273261855 192092343 /nfs/dbraw/zinc/09/23/43/192092343.db2.gz ZHANKXOGBRKMJD-CYBMUJFWSA-N 2 2 274.412 3.030 20 0 CGADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000093209985 345872945 /nfs/dbraw/zinc/87/29/45/345872945.db2.gz UCJYPOVQKLNYKR-IRXDYDNUSA-N 3 2 293.499 3.035 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000103342077 345921040 /nfs/dbraw/zinc/92/10/40/345921040.db2.gz IIQGCIRCWAIMLA-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000103342077 345921044 /nfs/dbraw/zinc/92/10/44/345921044.db2.gz IIQGCIRCWAIMLA-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000128283824 187362338 /nfs/dbraw/zinc/36/23/38/187362338.db2.gz HZFMUVHOBGKPCD-MSOLQXFVSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000128283824 187362340 /nfs/dbraw/zinc/36/23/40/187362340.db2.gz HZFMUVHOBGKPCD-MSOLQXFVSA-N 2 2 266.388 3.166 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)s1 ZINC000130182380 346055547 /nfs/dbraw/zinc/05/55/47/346055547.db2.gz SUXDZYGGKAONKK-UHFFFAOYSA-N 2 2 278.465 3.275 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000133031280 346075061 /nfs/dbraw/zinc/07/50/61/346075061.db2.gz LOBXZBQBGZDPAP-ZDUSSCGKSA-N 2 2 255.365 3.008 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000168708770 346191118 /nfs/dbraw/zinc/19/11/18/346191118.db2.gz BOPWPVWBLGHNGB-HUUCEWRRSA-N 2 2 267.376 3.274 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000168708770 346191120 /nfs/dbraw/zinc/19/11/20/346191120.db2.gz BOPWPVWBLGHNGB-HUUCEWRRSA-N 2 2 267.376 3.274 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339199855 215008481 /nfs/dbraw/zinc/00/84/81/215008481.db2.gz DCOKZHAZYKAFLH-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339199855 215008482 /nfs/dbraw/zinc/00/84/82/215008482.db2.gz DCOKZHAZYKAFLH-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)c1 ZINC000188310461 346262006 /nfs/dbraw/zinc/26/20/06/346262006.db2.gz MTPJVXQPXYAASN-OAHLLOKOSA-N 2 2 282.322 3.454 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3Cc4ccccc43)cc2)c[nH+]1 ZINC000236577283 346341141 /nfs/dbraw/zinc/34/11/41/346341141.db2.gz UKZWFZMRCNGVHS-QGZVFWFLSA-N 2 2 289.382 3.302 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249047081 346380747 /nfs/dbraw/zinc/38/07/47/346380747.db2.gz WLWSCIUYOYEVDA-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249047081 346380748 /nfs/dbraw/zinc/38/07/48/346380748.db2.gz WLWSCIUYOYEVDA-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000252195828 346390778 /nfs/dbraw/zinc/39/07/78/346390778.db2.gz VMUPXZOKMNFJEQ-FMKPAKJESA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000252195828 346390781 /nfs/dbraw/zinc/39/07/81/346390781.db2.gz VMUPXZOKMNFJEQ-FMKPAKJESA-N 2 2 276.424 3.223 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000252452128 346391096 /nfs/dbraw/zinc/39/10/96/346391096.db2.gz QITSSRIQAITOSZ-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000252452128 346391098 /nfs/dbraw/zinc/39/10/98/346391098.db2.gz QITSSRIQAITOSZ-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP c1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000316479754 346484874 /nfs/dbraw/zinc/48/48/74/346484874.db2.gz WRNMPMNKXFVIGJ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2nc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000316479754 346484877 /nfs/dbraw/zinc/48/48/77/346484877.db2.gz WRNMPMNKXFVIGJ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583260661 346679302 /nfs/dbraw/zinc/67/93/02/346679302.db2.gz WZJGHKQPGLWSLK-AWEZNQCLSA-N 2 2 269.392 3.241 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000595056621 347271806 /nfs/dbraw/zinc/27/18/06/347271806.db2.gz OGRBIMGTVGQLEH-YMAMQOFZSA-N 2 2 284.513 3.371 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000595056621 347271808 /nfs/dbraw/zinc/27/18/08/347271808.db2.gz OGRBIMGTVGQLEH-YMAMQOFZSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595082302 347279424 /nfs/dbraw/zinc/27/94/24/347279424.db2.gz YFSOZRUVLPLMGV-ZIAGYGMSSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595082302 347279426 /nfs/dbraw/zinc/27/94/26/347279426.db2.gz YFSOZRUVLPLMGV-ZIAGYGMSSA-N 2 2 288.476 3.074 20 0 CGADLP CC[NH+](CC)CCSCCc1[nH]c2ccccc2[nH+]1 ZINC000603318389 348070581 /nfs/dbraw/zinc/07/05/81/348070581.db2.gz HSPRAQZALWGIBK-UHFFFAOYSA-N 2 2 277.437 3.180 20 0 CGADLP Oc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1Cl ZINC000339382725 215134911 /nfs/dbraw/zinc/13/49/11/215134911.db2.gz RVNSKKACHKVHON-UHFFFAOYSA-N 2 2 294.826 3.152 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884537 348136897 /nfs/dbraw/zinc/13/68/97/348136897.db2.gz MTTXANUIOKZHTA-DOTOQJQBSA-N 2 2 269.392 3.324 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884537 348136902 /nfs/dbraw/zinc/13/69/02/348136902.db2.gz MTTXANUIOKZHTA-DOTOQJQBSA-N 2 2 269.392 3.324 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000608072366 348281894 /nfs/dbraw/zinc/28/18/94/348281894.db2.gz LAVURRGGMIKPRK-GOSISDBHSA-N 2 2 291.398 3.494 20 0 CGADLP Cc1cc(C)cc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000608756834 348325771 /nfs/dbraw/zinc/32/57/71/348325771.db2.gz QEXXTNOSEJZOTE-UHFFFAOYSA-N 2 2 299.418 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCSCC1 ZINC000624188301 349996447 /nfs/dbraw/zinc/99/64/47/349996447.db2.gz CECIEYLIIMSGEY-BBRMVZONSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCSCC1 ZINC000624188301 349996450 /nfs/dbraw/zinc/99/64/50/349996450.db2.gz CECIEYLIIMSGEY-BBRMVZONSA-N 2 2 282.497 3.125 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000620757854 349422354 /nfs/dbraw/zinc/42/23/54/349422354.db2.gz RWOULILCQUWUCM-OAHLLOKOSA-N 2 2 287.407 3.098 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000624271836 350015673 /nfs/dbraw/zinc/01/56/73/350015673.db2.gz HCTXJOXMUTYYRT-BBWFWOEESA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000624271836 350015676 /nfs/dbraw/zinc/01/56/76/350015676.db2.gz HCTXJOXMUTYYRT-BBWFWOEESA-N 2 2 287.451 3.100 20 0 CGADLP CCO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246085 350146253 /nfs/dbraw/zinc/14/62/53/350146253.db2.gz SKOZWLVGVBSSGS-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246085 350146255 /nfs/dbraw/zinc/14/62/55/350146255.db2.gz SKOZWLVGVBSSGS-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246085 350146259 /nfs/dbraw/zinc/14/62/59/350146259.db2.gz SKOZWLVGVBSSGS-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246085 350146262 /nfs/dbraw/zinc/14/62/62/350146262.db2.gz SKOZWLVGVBSSGS-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000625262728 350149376 /nfs/dbraw/zinc/14/93/76/350149376.db2.gz FZQZKAVVGDGHKX-UHFFFAOYSA-N 2 2 293.798 3.073 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(O)ccc1Cl ZINC000625262728 350149379 /nfs/dbraw/zinc/14/93/79/350149379.db2.gz FZQZKAVVGDGHKX-UHFFFAOYSA-N 2 2 293.798 3.073 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1F ZINC000625288671 350153540 /nfs/dbraw/zinc/15/35/40/350153540.db2.gz QVLMOVOTKJCFHW-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1F ZINC000625288671 350153543 /nfs/dbraw/zinc/15/35/43/350153543.db2.gz QVLMOVOTKJCFHW-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(C2CC2)o1)C(C)(C)C ZINC000628215466 350444659 /nfs/dbraw/zinc/44/46/59/350444659.db2.gz KFTBOTLGPWHOCY-AWEZNQCLSA-N 2 2 279.428 3.008 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000628242256 350462881 /nfs/dbraw/zinc/46/28/81/350462881.db2.gz YFWRIYOZBMUPMA-KFWWJZLASA-N 2 2 261.413 3.004 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1oc(C)nc1C)C1CCCCC1 ZINC000628324086 350501833 /nfs/dbraw/zinc/50/18/33/350501833.db2.gz CFKUVZCVINWCHR-UHFFFAOYSA-N 2 2 293.455 3.426 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1oc(C)nc1C)C1CCCCC1 ZINC000628324086 350501836 /nfs/dbraw/zinc/50/18/36/350501836.db2.gz CFKUVZCVINWCHR-UHFFFAOYSA-N 2 2 293.455 3.426 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000629525891 350702070 /nfs/dbraw/zinc/70/20/70/350702070.db2.gz FQGBTTWHOFTVKT-XOKHGSTOSA-N 2 2 276.424 3.265 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC000629534658 350705148 /nfs/dbraw/zinc/70/51/48/350705148.db2.gz APIQEJHCRKPFCC-KGLIPLIRSA-N 2 2 278.399 3.487 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537516 350705607 /nfs/dbraw/zinc/70/56/07/350705607.db2.gz JPKJHODACFHREB-MDZLAQPJSA-N 2 2 281.469 3.366 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)C[NH2+]1 ZINC000629540646 350707410 /nfs/dbraw/zinc/70/74/10/350707410.db2.gz RRRZOTGGAVJTBC-DYEKYZERSA-N 2 2 262.397 3.023 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000629542841 350708785 /nfs/dbraw/zinc/70/87/85/350708785.db2.gz NARGQFWVGCXJFJ-KRWDZBQOSA-N 2 2 295.430 3.403 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000629543279 350708809 /nfs/dbraw/zinc/70/88/09/350708809.db2.gz XWTUDEAEPUHAAJ-GLQYFDAESA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000629545247 350709197 /nfs/dbraw/zinc/70/91/97/350709197.db2.gz AUCUWTRDIILAHA-QNWHQSFQSA-N 2 2 289.448 3.128 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2ccccc2c1 ZINC000629544845 350709290 /nfs/dbraw/zinc/70/92/90/350709290.db2.gz DPVUJGCIUMFIPV-GDZNZVCISA-N 2 2 254.377 3.241 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[NH2+]1 ZINC000629395148 350688405 /nfs/dbraw/zinc/68/84/05/350688405.db2.gz AQPYSJPDAQUVGY-CABZTGNLSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000629395717 350688642 /nfs/dbraw/zinc/68/86/42/350688642.db2.gz QHYGLNCGQSCULU-RNCFNFMXSA-N 2 2 273.207 3.224 20 0 CGADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629520378 350700509 /nfs/dbraw/zinc/70/05/09/350700509.db2.gz LARLROBODSVMGU-HIFRSBDPSA-N 2 2 274.433 3.098 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000629520478 350700750 /nfs/dbraw/zinc/70/07/50/350700750.db2.gz MAQHSCPVEZYZQX-XHDPSFHLSA-N 2 2 294.439 3.483 20 0 CGADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@H]2CC[NH2+]C2)c1 ZINC000629710323 350748537 /nfs/dbraw/zinc/74/85/37/350748537.db2.gz QIITXWAALRIUKN-SFHVURJKSA-N 2 2 293.414 3.426 20 0 CGADLP C[NH2+]CCc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000629709714 350748613 /nfs/dbraw/zinc/74/86/13/350748613.db2.gz IXUJHHRXTDXEHI-UHFFFAOYSA-N 2 2 281.403 3.111 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C[NH2+]1 ZINC000629659552 350732044 /nfs/dbraw/zinc/73/20/44/350732044.db2.gz BUOMYYPYGYFERT-UKRRQHHQSA-N 2 2 270.376 3.177 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1C(F)(F)F ZINC000629659468 350732267 /nfs/dbraw/zinc/73/22/67/350732267.db2.gz AKIZISPEONKVBI-AAEUAGOBSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1[nH+]c2c(n1Cc1c(C)cc(C)[nH+]c1C)CCCC2 ZINC000631020037 350926078 /nfs/dbraw/zinc/92/60/78/350926078.db2.gz BCGYCXDMOAFHCE-UHFFFAOYSA-N 2 2 269.392 3.439 20 0 CGADLP C[C@@H](Nc1cc2ccccc2c[nH+]1)C1CC[NH+](C)CC1 ZINC000631116534 350959682 /nfs/dbraw/zinc/95/96/82/350959682.db2.gz CHYNNFOTMIQFAY-CYBMUJFWSA-N 2 2 269.392 3.377 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC34CC4)n2c1 ZINC000631190810 350984576 /nfs/dbraw/zinc/98/45/76/350984576.db2.gz CCKCNDWMQQYACP-CQSZACIVSA-N 2 2 255.365 3.065 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@]34C[C@@H]3CCCC4)n2c1 ZINC000631225404 350997387 /nfs/dbraw/zinc/99/73/87/350997387.db2.gz IFMGYBDSKXNFMC-BBRMVZONSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](C)[NH+](C)C ZINC000631578406 351075072 /nfs/dbraw/zinc/07/50/72/351075072.db2.gz SLJOJRWRAYPZBQ-KGLIPLIRSA-N 2 2 273.424 3.029 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823674 351148955 /nfs/dbraw/zinc/14/89/55/351148955.db2.gz KWQLXTPTPPJYFX-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823674 351148956 /nfs/dbraw/zinc/14/89/56/351148956.db2.gz KWQLXTPTPPJYFX-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888851 351153273 /nfs/dbraw/zinc/15/32/73/351153273.db2.gz CFBSPOYWYLDYMJ-OLZOCXBDSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888851 351153276 /nfs/dbraw/zinc/15/32/76/351153276.db2.gz CFBSPOYWYLDYMJ-OLZOCXBDSA-N 2 2 293.480 3.015 20 0 CGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccs1 ZINC000352239886 219379581 /nfs/dbraw/zinc/37/95/81/219379581.db2.gz AFLRQZUYAZAJJI-SNVBAGLBSA-N 2 2 281.450 3.117 20 0 CGADLP CC[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000634993599 351619269 /nfs/dbraw/zinc/61/92/69/351619269.db2.gz ZJTCQVYXVCYGJS-YDXUJSMASA-N 2 2 284.447 3.254 20 0 CGADLP CC[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000634993599 351619272 /nfs/dbraw/zinc/61/92/72/351619272.db2.gz ZJTCQVYXVCYGJS-YDXUJSMASA-N 2 2 284.447 3.254 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000366357223 234164377 /nfs/dbraw/zinc/16/43/77/234164377.db2.gz UURUAODALOHUSF-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000367378207 234209697 /nfs/dbraw/zinc/20/96/97/234209697.db2.gz PORGMHXVNJLZQL-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000367599867 234231305 /nfs/dbraw/zinc/23/13/05/234231305.db2.gz IGZKRPWWCFKDRD-CHWSQXEVSA-N 2 2 295.390 3.316 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ncc[nH]1 ZINC000367524374 234221909 /nfs/dbraw/zinc/22/19/09/234221909.db2.gz CBBDCQCSXCQLSG-YQQAZPJKSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ncc[nH]1 ZINC000367524374 234221911 /nfs/dbraw/zinc/22/19/11/234221911.db2.gz CBBDCQCSXCQLSG-YQQAZPJKSA-N 2 2 298.434 3.113 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367699659 234243087 /nfs/dbraw/zinc/24/30/87/234243087.db2.gz IFGSWHLUCUXGEG-CQSZACIVSA-N 2 2 295.386 3.464 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367699659 234243090 /nfs/dbraw/zinc/24/30/90/234243090.db2.gz IFGSWHLUCUXGEG-CQSZACIVSA-N 2 2 295.386 3.464 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000152325922 188009723 /nfs/dbraw/zinc/00/97/23/188009723.db2.gz BNYLYQHDVCYJND-LSDHHAIUSA-N 2 2 299.418 3.286 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000152325922 188009724 /nfs/dbraw/zinc/00/97/24/188009724.db2.gz BNYLYQHDVCYJND-LSDHHAIUSA-N 2 2 299.418 3.286 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000152622166 188032335 /nfs/dbraw/zinc/03/23/35/188032335.db2.gz QFLNNTHCTVQVPS-KGLIPLIRSA-N 2 2 278.440 3.117 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000152264963 188005550 /nfs/dbraw/zinc/00/55/50/188005550.db2.gz YXOYSBAPQFBVSI-HNNXBMFYSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1F ZINC000368500445 234314278 /nfs/dbraw/zinc/31/42/78/234314278.db2.gz WXKKCIPMIUPPRJ-LBPRGKRZSA-N 2 2 273.355 3.209 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154508334 188147060 /nfs/dbraw/zinc/14/70/60/188147060.db2.gz GMAMMZULEGZDMY-GXTWGEPZSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000154508334 188147063 /nfs/dbraw/zinc/14/70/63/188147063.db2.gz GMAMMZULEGZDMY-GXTWGEPZSA-N 2 2 280.412 3.046 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157327215 188309530 /nfs/dbraw/zinc/30/95/30/188309530.db2.gz HMVKYIMKGIFPBR-HNNXBMFYSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157327215 188309531 /nfs/dbraw/zinc/30/95/31/188309531.db2.gz HMVKYIMKGIFPBR-HNNXBMFYSA-N 2 2 294.389 3.415 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000158108073 188357599 /nfs/dbraw/zinc/35/75/99/188357599.db2.gz PTZKQXMTIWGRSH-ZDUSSCGKSA-N 2 2 262.397 3.113 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000158791140 188394361 /nfs/dbraw/zinc/39/43/61/188394361.db2.gz WDJQZQNLFFZONO-CHWSQXEVSA-N 2 2 291.464 3.330 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000158791140 188394362 /nfs/dbraw/zinc/39/43/62/188394362.db2.gz WDJQZQNLFFZONO-CHWSQXEVSA-N 2 2 291.464 3.330 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759378 191310205 /nfs/dbraw/zinc/31/02/05/191310205.db2.gz YEOMCPTZIZJAPF-GDBMZVCRSA-N 2 2 299.418 3.401 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759378 191310208 /nfs/dbraw/zinc/31/02/08/191310208.db2.gz YEOMCPTZIZJAPF-GDBMZVCRSA-N 2 2 299.418 3.401 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000091261996 138343654 /nfs/dbraw/zinc/34/36/54/138343654.db2.gz PNWUCDNEGKUPCY-KRWDZBQOSA-N 2 2 269.392 3.323 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091318907 138343766 /nfs/dbraw/zinc/34/37/66/138343766.db2.gz ZCVWNENYDUHZBQ-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091318907 138343767 /nfs/dbraw/zinc/34/37/67/138343767.db2.gz ZCVWNENYDUHZBQ-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123526602 138368209 /nfs/dbraw/zinc/36/82/09/138368209.db2.gz HHAZPIDFRHYBJO-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123526602 138368211 /nfs/dbraw/zinc/36/82/11/138368211.db2.gz HHAZPIDFRHYBJO-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000110319280 138362989 /nfs/dbraw/zinc/36/29/89/138362989.db2.gz CATZRTUARMTFPC-MRXNPFEDSA-N 2 2 296.418 3.377 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000125158772 138380239 /nfs/dbraw/zinc/38/02/39/138380239.db2.gz SMURKIGDSIGPGG-JQWIXIFHSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000125158772 138380241 /nfs/dbraw/zinc/38/02/41/138380241.db2.gz SMURKIGDSIGPGG-JQWIXIFHSA-N 2 2 270.779 3.051 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)c1ccccc1 ZINC000423239967 236006598 /nfs/dbraw/zinc/00/65/98/236006598.db2.gz BYFWEAFGTOLSPS-IRXDYDNUSA-N 2 2 258.409 3.245 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)o1 ZINC000423254033 236009971 /nfs/dbraw/zinc/00/99/71/236009971.db2.gz ZPOCEWCVIWANEE-WBMJQRKESA-N 2 2 258.365 3.247 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423273040 236017359 /nfs/dbraw/zinc/01/73/59/236017359.db2.gz KFEYEWJJNBFMBF-WCQYABFASA-N 2 2 286.366 3.230 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423326159 236038964 /nfs/dbraw/zinc/03/89/64/236038964.db2.gz QPUIKTAODVEMAF-RBUKOAKNSA-N 2 2 280.415 3.411 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423359443 236049456 /nfs/dbraw/zinc/04/94/56/236049456.db2.gz KMSJTMJXLGALTQ-DOXZYTNZSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423358682 236049581 /nfs/dbraw/zinc/04/95/81/236049581.db2.gz JRZVITKBOSUTSR-MJVIPROJSA-N 2 2 286.341 3.354 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423363423 236050397 /nfs/dbraw/zinc/05/03/97/236050397.db2.gz IWGWAMPHYHAUQK-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423453534 236074268 /nfs/dbraw/zinc/07/42/68/236074268.db2.gz AMPRXDBLPBKSJO-YQQAZPJKSA-N 3 2 298.434 3.040 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230660174 138507591 /nfs/dbraw/zinc/50/75/91/138507591.db2.gz WEKDPMCEDLKGGM-GOEBONIOSA-N 2 2 269.392 3.398 20 0 CGADLP CC(=O)c1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000294945443 199263727 /nfs/dbraw/zinc/26/37/27/199263727.db2.gz JZBTXMSMZLZEND-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000294945443 199263728 /nfs/dbraw/zinc/26/37/28/199263728.db2.gz JZBTXMSMZLZEND-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000294945443 199263730 /nfs/dbraw/zinc/26/37/30/199263730.db2.gz JZBTXMSMZLZEND-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000294945443 199263731 /nfs/dbraw/zinc/26/37/31/199263731.db2.gz JZBTXMSMZLZEND-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423314818 283390631 /nfs/dbraw/zinc/39/06/31/283390631.db2.gz WQBRIPPFYVMNCX-AWEZNQCLSA-N 2 2 282.815 3.143 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000437118542 237255716 /nfs/dbraw/zinc/25/57/16/237255716.db2.gz WSCVLIHOSRDYAV-MSOLQXFVSA-N 2 2 286.463 3.472 20 0 CGADLP CCCC(CCC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341590020 216024456 /nfs/dbraw/zinc/02/44/56/216024456.db2.gz KZJYWCMICGSLIV-UHFFFAOYSA-N 2 2 284.488 3.434 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@@H+]1C ZINC000297444220 200192565 /nfs/dbraw/zinc/19/25/65/200192565.db2.gz WJUREJVFIFQWTL-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@H+]1C ZINC000297444220 200192566 /nfs/dbraw/zinc/19/25/66/200192566.db2.gz WJUREJVFIFQWTL-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000297663967 200256471 /nfs/dbraw/zinc/25/64/71/200256471.db2.gz JSBLMWVJUPAQIF-OAHLLOKOSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000297663967 200256473 /nfs/dbraw/zinc/25/64/73/200256473.db2.gz JSBLMWVJUPAQIF-OAHLLOKOSA-N 2 2 275.783 3.063 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)CCc1cccc(F)c1 ZINC000297748158 200274259 /nfs/dbraw/zinc/27/42/59/200274259.db2.gz KURJVFIYHRKHOF-UHFFFAOYSA-N 2 2 289.398 3.056 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)CCc1cccc(F)c1 ZINC000297748158 200274260 /nfs/dbraw/zinc/27/42/60/200274260.db2.gz KURJVFIYHRKHOF-UHFFFAOYSA-N 2 2 289.398 3.056 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190601 189035433 /nfs/dbraw/zinc/03/54/33/189035433.db2.gz LFIKERJQEYKFAZ-OIISXLGYSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190601 189035434 /nfs/dbraw/zinc/03/54/34/189035434.db2.gz LFIKERJQEYKFAZ-OIISXLGYSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178200212 189096922 /nfs/dbraw/zinc/09/69/22/189096922.db2.gz QLGLLTZAPLNRPZ-HUUCEWRRSA-N 2 2 299.418 3.338 20 0 CGADLP COc1ccccc1C(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000178491355 189120696 /nfs/dbraw/zinc/12/06/96/189120696.db2.gz HFUPJVOBBCLZLN-UHFFFAOYSA-N 2 2 295.386 3.368 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179835210 189222944 /nfs/dbraw/zinc/22/29/44/189222944.db2.gz QANCETOSWMYAQQ-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000423061765 283620547 /nfs/dbraw/zinc/62/05/47/283620547.db2.gz LMICKUOCDUWKND-KBPBESRZSA-N 2 2 270.779 3.229 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000180483303 189257499 /nfs/dbraw/zinc/25/74/99/189257499.db2.gz ITRXDMBNPDMTKI-LSDHHAIUSA-N 2 2 287.432 3.194 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000180483303 189257500 /nfs/dbraw/zinc/25/75/00/189257500.db2.gz ITRXDMBNPDMTKI-LSDHHAIUSA-N 2 2 287.432 3.194 20 0 CGADLP CSCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180646845 189267827 /nfs/dbraw/zinc/26/78/27/189267827.db2.gz RBPXVEKWYIMYER-CYBMUJFWSA-N 2 2 275.421 3.276 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181140291 189289218 /nfs/dbraw/zinc/28/92/18/189289218.db2.gz SGJPIKZEYNYIRW-ZDUSSCGKSA-N 2 2 296.374 3.422 20 0 CGADLP Clc1c[nH+]ccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301575177 201078252 /nfs/dbraw/zinc/07/82/52/201078252.db2.gz SJELROMMVZYVJH-ZDUSSCGKSA-N 2 2 279.815 3.411 20 0 CGADLP Clc1c[nH+]ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301575177 201078255 /nfs/dbraw/zinc/07/82/55/201078255.db2.gz SJELROMMVZYVJH-ZDUSSCGKSA-N 2 2 279.815 3.411 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301984203 201287674 /nfs/dbraw/zinc/28/76/74/201287674.db2.gz KMMDVRLCAYPQDA-QLFBSQMISA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000301984203 201287677 /nfs/dbraw/zinc/28/76/77/201287677.db2.gz KMMDVRLCAYPQDA-QLFBSQMISA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1F ZINC000449008825 239109937 /nfs/dbraw/zinc/10/99/37/239109937.db2.gz FVQXSCVMVAFEQA-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP COc1cc2ccccc2cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000449016355 239117765 /nfs/dbraw/zinc/11/77/65/239117765.db2.gz VNKRBKKZQQNMQH-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449064525 239151993 /nfs/dbraw/zinc/15/19/93/239151993.db2.gz QIKSCFBAVYLPJP-UHFFFAOYSA-N 2 2 282.472 3.187 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000342545329 216390331 /nfs/dbraw/zinc/39/03/31/216390331.db2.gz MHFCPLHOOOZVKC-UHFFFAOYSA-N 2 2 269.392 3.071 20 0 CGADLP CCc1cc(Nc2ccc3c(c2)[nH+]c(C)n3C)nc(C)[nH+]1 ZINC000302106324 201344464 /nfs/dbraw/zinc/34/44/64/201344464.db2.gz SBXXDAPWJSWHJC-UHFFFAOYSA-N 2 2 281.363 3.286 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000449150966 239206061 /nfs/dbraw/zinc/20/60/61/239206061.db2.gz UYNWAODHMYLLIG-HZPDHXFCSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000449150966 239206065 /nfs/dbraw/zinc/20/60/65/239206065.db2.gz UYNWAODHMYLLIG-HZPDHXFCSA-N 2 2 286.419 3.321 20 0 CGADLP c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3ccoc32)c[nH+]1 ZINC000449237447 239261894 /nfs/dbraw/zinc/26/18/94/239261894.db2.gz BNELPKYTIIPZKS-MRXNPFEDSA-N 2 2 281.359 3.294 20 0 CGADLP c1cn(C[C@H]2CCC[N@H+]2Cc2cccc3ccoc32)c[nH+]1 ZINC000449237447 239261899 /nfs/dbraw/zinc/26/18/99/239261899.db2.gz BNELPKYTIIPZKS-MRXNPFEDSA-N 2 2 281.359 3.294 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)c2ccccn2)c[nH+]1 ZINC000449396348 239378747 /nfs/dbraw/zinc/37/87/47/239378747.db2.gz YNQMSXHOUHPCJS-UHFFFAOYSA-N 2 2 283.419 3.285 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000450828460 240103507 /nfs/dbraw/zinc/10/35/07/240103507.db2.gz LNLVSJRLBDLFEU-APWZRJJASA-N 2 2 299.462 3.382 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000450828460 240103512 /nfs/dbraw/zinc/10/35/12/240103512.db2.gz LNLVSJRLBDLFEU-APWZRJJASA-N 2 2 299.462 3.382 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451187938 240240982 /nfs/dbraw/zinc/24/09/82/240240982.db2.gz PYTRUJOCELPTMG-IIDMSEBBSA-N 2 2 283.419 3.458 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000451187938 240240984 /nfs/dbraw/zinc/24/09/84/240240984.db2.gz PYTRUJOCELPTMG-IIDMSEBBSA-N 2 2 283.419 3.458 20 0 CGADLP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578049 212288995 /nfs/dbraw/zinc/28/89/95/212288995.db2.gz WGSUYKZLFVRWRF-VXGBXAGGSA-N 2 2 269.339 3.025 20 0 CGADLP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578049 212288997 /nfs/dbraw/zinc/28/89/97/212288997.db2.gz WGSUYKZLFVRWRF-VXGBXAGGSA-N 2 2 269.339 3.025 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275574710 193077355 /nfs/dbraw/zinc/07/73/55/193077355.db2.gz OPUWFYDCGGSISK-ZOBUZTSGSA-N 2 2 291.439 3.365 20 0 CGADLP c1cn(CCC[NH2+]CCCCCOc2ccccc2)c[nH+]1 ZINC000275851644 193146588 /nfs/dbraw/zinc/14/65/88/193146588.db2.gz WIYAFMKVFQBRMB-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000121250260 370845091 /nfs/dbraw/zinc/84/50/91/370845091.db2.gz ZUBXTGWBPVFVMU-UHFFFAOYSA-N 2 2 269.348 3.118 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000459341579 242078729 /nfs/dbraw/zinc/07/87/29/242078729.db2.gz JYLAGQGHFJDMJU-LJQANCHMSA-N 2 2 297.446 3.307 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000459341579 242078734 /nfs/dbraw/zinc/07/87/34/242078734.db2.gz JYLAGQGHFJDMJU-LJQANCHMSA-N 2 2 297.446 3.307 20 0 CGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459428911 242105505 /nfs/dbraw/zinc/10/55/05/242105505.db2.gz BWGHKOYXKDQTKV-KRWDZBQOSA-N 2 2 289.398 3.431 20 0 CGADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459428911 242105508 /nfs/dbraw/zinc/10/55/08/242105508.db2.gz BWGHKOYXKDQTKV-KRWDZBQOSA-N 2 2 289.398 3.431 20 0 CGADLP Clc1cccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000459351304 242086983 /nfs/dbraw/zinc/08/69/83/242086983.db2.gz PCZVJZOYRDEODE-UHFFFAOYSA-N 2 2 289.810 3.485 20 0 CGADLP CCC[C@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000459654410 242164316 /nfs/dbraw/zinc/16/43/16/242164316.db2.gz FMTDUARTSAEIRG-MRXNPFEDSA-N 2 2 271.408 3.136 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459657433 242164622 /nfs/dbraw/zinc/16/46/22/242164622.db2.gz HYAHJOKNSAHHTQ-AWEZNQCLSA-N 2 2 263.429 3.301 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H](C)c1ccc(Cl)cc1 ZINC000459655931 242164734 /nfs/dbraw/zinc/16/47/34/242164734.db2.gz GTAVPTRMFFSIIF-QWHCGFSZSA-N 2 2 291.826 3.398 20 0 CGADLP Cc1cc2cc(C[NH2+]CCc3cn(C)c[nH+]3)oc2cc1C ZINC000459660352 242167606 /nfs/dbraw/zinc/16/76/06/242167606.db2.gz LCYHHPBUZSDSLW-UHFFFAOYSA-N 2 2 283.375 3.115 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459680668 242178245 /nfs/dbraw/zinc/17/82/45/242178245.db2.gz PXESCPHEZNBOSR-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459680668 242178248 /nfs/dbraw/zinc/17/82/48/242178248.db2.gz PXESCPHEZNBOSR-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000268851169 294316030 /nfs/dbraw/zinc/31/60/30/294316030.db2.gz CRWWYVZPAVXLSZ-QLFBSQMISA-N 2 2 278.440 3.129 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000462819988 242365937 /nfs/dbraw/zinc/36/59/37/242365937.db2.gz MBPMNWZXJOZSKE-UKRRQHHQSA-N 2 2 292.854 3.406 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000462819988 242365940 /nfs/dbraw/zinc/36/59/40/242365940.db2.gz MBPMNWZXJOZSKE-UKRRQHHQSA-N 2 2 292.854 3.406 20 0 CGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+](C)C ZINC000462824829 242366566 /nfs/dbraw/zinc/36/65/66/242366566.db2.gz ZHQAIFUZYBKYGB-AWEZNQCLSA-N 2 2 287.451 3.375 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442871779 294317249 /nfs/dbraw/zinc/31/72/49/294317249.db2.gz GSEMWXOQMNUWKP-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cc[nH+]cc1CCCNc1cc2c(c[nH+]1)CCCC2 ZINC000463040968 242383420 /nfs/dbraw/zinc/38/34/20/242383420.db2.gz XEZLSDBTXFEJJA-UHFFFAOYSA-N 2 2 281.403 3.130 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034341 243133985 /nfs/dbraw/zinc/13/39/85/243133985.db2.gz AXQQSMPOEAELIH-CZUORRHYSA-N 2 2 292.854 3.301 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034341 243133988 /nfs/dbraw/zinc/13/39/88/243133988.db2.gz AXQQSMPOEAELIH-CZUORRHYSA-N 2 2 292.854 3.301 20 0 CGADLP c1ccc(C[C@@H]([NH2+]CC[NH+]2CCCCCC2)C2CC2)cc1 ZINC000480262483 243142761 /nfs/dbraw/zinc/14/27/61/243142761.db2.gz KJLCYERPMOCFBB-LJQANCHMSA-N 2 2 286.463 3.473 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020091970 368800824 /nfs/dbraw/zinc/80/08/24/368800824.db2.gz UDGZHBQQSOHKRK-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020091970 368800827 /nfs/dbraw/zinc/80/08/27/368800827.db2.gz UDGZHBQQSOHKRK-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020562662 368808905 /nfs/dbraw/zinc/80/89/05/368808905.db2.gz QPXURSICKAXISU-NVXWUHKLSA-N 2 2 260.425 3.459 20 0 CGADLP CC(C)(C)C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000021810191 368809532 /nfs/dbraw/zinc/80/95/32/368809532.db2.gz FTOIOZJXJUTQRO-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccco1 ZINC000019913079 368781293 /nfs/dbraw/zinc/78/12/93/368781293.db2.gz WYKPIDGQYBTVBI-KGLIPLIRSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000019913079 368781296 /nfs/dbraw/zinc/78/12/96/368781296.db2.gz WYKPIDGQYBTVBI-KGLIPLIRSA-N 2 2 250.386 3.195 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000035648198 369002834 /nfs/dbraw/zinc/00/28/34/369002834.db2.gz LTSYYFGGNJGWKS-RDJZCZTQSA-N 2 2 292.467 3.192 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996437 369046958 /nfs/dbraw/zinc/04/69/58/369046958.db2.gz PBVRXFYFYGLJAM-HUUCEWRRSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996437 369046962 /nfs/dbraw/zinc/04/69/62/369046962.db2.gz PBVRXFYFYGLJAM-HUUCEWRRSA-N 2 2 264.800 3.056 20 0 CGADLP Cc1c(Cl)c(C[NH+]2CCC([NH3+])CC2)nc2ccccc12 ZINC000036753968 369027250 /nfs/dbraw/zinc/02/72/50/369027250.db2.gz WCNTUYWHOZRXOI-UHFFFAOYSA-N 2 2 289.810 3.120 20 0 CGADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3)cc2)c[nH+]1 ZINC000034990821 368986177 /nfs/dbraw/zinc/98/61/77/368986177.db2.gz SGSUKCYGOQTPGJ-UHFFFAOYSA-N 2 2 263.344 3.162 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000037140963 369067767 /nfs/dbraw/zinc/06/77/67/369067767.db2.gz PZDDIMFHWLMFCO-LLVKDONJSA-N 2 2 250.411 3.026 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037157158 369072245 /nfs/dbraw/zinc/07/22/45/369072245.db2.gz GXPSAIURVMYOIA-GJZGRUSLSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037157398 369072618 /nfs/dbraw/zinc/07/26/18/369072618.db2.gz NGGUFIYPOMMRJU-RYUDHWBXSA-N 2 2 263.772 3.276 20 0 CGADLP CC(C)OCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325880 369081431 /nfs/dbraw/zinc/08/14/31/369081431.db2.gz YZEDBYNIPGNAIE-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)OCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325880 369081437 /nfs/dbraw/zinc/08/14/37/369081437.db2.gz YZEDBYNIPGNAIE-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037487753 369086699 /nfs/dbraw/zinc/08/66/99/369086699.db2.gz GQRXPBQSRFCJGO-UHFFFAOYSA-N 2 2 270.804 3.145 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649260 369097976 /nfs/dbraw/zinc/09/79/76/369097976.db2.gz VEWOAHHAPIUGAS-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649260 369097981 /nfs/dbraw/zinc/09/79/81/369097981.db2.gz VEWOAHHAPIUGAS-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP CC(C)CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000038093629 369143649 /nfs/dbraw/zinc/14/36/49/369143649.db2.gz GEZLGPYQLSIVGO-UHFFFAOYSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1Cl ZINC000423378170 299397313 /nfs/dbraw/zinc/39/73/13/299397313.db2.gz ZKANTRLJWXANHA-ISTVAULSSA-N 2 2 270.779 3.128 20 0 CGADLP CCCc1[nH+]ccn1CCCn1cc[nH+]c1CCC ZINC000043070722 369240249 /nfs/dbraw/zinc/24/02/49/369240249.db2.gz RRGIWXCJGJEXHB-UHFFFAOYSA-N 2 2 260.385 3.075 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044684691 369265704 /nfs/dbraw/zinc/26/57/04/369265704.db2.gz YPBURIAKEKOWKS-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044684691 369265710 /nfs/dbraw/zinc/26/57/10/369265710.db2.gz YPBURIAKEKOWKS-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3)o1)CC2 ZINC000494391589 244285878 /nfs/dbraw/zinc/28/58/78/244285878.db2.gz KWBCCGRQNWLUQL-OAHLLOKOSA-N 2 2 293.370 3.248 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632006 244307868 /nfs/dbraw/zinc/30/78/68/244307868.db2.gz KWPJONMIFNOHEG-IFXJQAMLSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632006 244307871 /nfs/dbraw/zinc/30/78/71/244307871.db2.gz KWPJONMIFNOHEG-IFXJQAMLSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000495003002 244345494 /nfs/dbraw/zinc/34/54/94/244345494.db2.gz FUORMISDQPKXEH-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000495003002 244345499 /nfs/dbraw/zinc/34/54/99/244345499.db2.gz FUORMISDQPKXEH-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000495059108 244351027 /nfs/dbraw/zinc/35/10/27/244351027.db2.gz LXXLPVQWDZENEO-IOASZLSFSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000050226790 369433415 /nfs/dbraw/zinc/43/34/15/369433415.db2.gz XFJCCGVPSBWUNW-INIZCTEOSA-N 2 2 272.417 3.033 20 0 CGADLP CCSCC[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000276157313 193229148 /nfs/dbraw/zinc/22/91/48/193229148.db2.gz FPGOLNMGECZDKR-DZGCQCFKSA-N 2 2 266.454 3.021 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000062077783 369617735 /nfs/dbraw/zinc/61/77/35/369617735.db2.gz ZTSBOOVGEONKTA-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP c1coc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000064616017 369658120 /nfs/dbraw/zinc/65/81/20/369658120.db2.gz SJGMIDUPIHTXIF-AWEZNQCLSA-N 2 2 290.432 3.343 20 0 CGADLP c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064616017 369658124 /nfs/dbraw/zinc/65/81/24/369658124.db2.gz SJGMIDUPIHTXIF-AWEZNQCLSA-N 2 2 290.432 3.343 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000070074619 369778987 /nfs/dbraw/zinc/77/89/87/369778987.db2.gz FGVHFQCVPBMIEU-YPMHNXCESA-N 2 2 297.240 3.008 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070074619 369778991 /nfs/dbraw/zinc/77/89/91/369778991.db2.gz FGVHFQCVPBMIEU-YPMHNXCESA-N 2 2 297.240 3.008 20 0 CGADLP CCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108620 369931052 /nfs/dbraw/zinc/93/10/52/369931052.db2.gz BXJUWAOAHHHCIB-UHFFFAOYSA-N 2 2 275.440 3.420 20 0 CGADLP CCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108620 369931055 /nfs/dbraw/zinc/93/10/55/369931055.db2.gz BXJUWAOAHHHCIB-UHFFFAOYSA-N 2 2 275.440 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000090720786 370065082 /nfs/dbraw/zinc/06/50/82/370065082.db2.gz ZQZARHKLAQECIQ-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000090720786 370065086 /nfs/dbraw/zinc/06/50/86/370065086.db2.gz ZQZARHKLAQECIQ-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092799913 370102269 /nfs/dbraw/zinc/10/22/69/370102269.db2.gz SNOIRJUNOMJWHT-HUUCEWRRSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644709 370154222 /nfs/dbraw/zinc/15/42/22/370154222.db2.gz PWHSTAMEZUBBHA-OLZOCXBDSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644709 370154229 /nfs/dbraw/zinc/15/42/29/370154229.db2.gz PWHSTAMEZUBBHA-OLZOCXBDSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644709 370154234 /nfs/dbraw/zinc/15/42/34/370154234.db2.gz PWHSTAMEZUBBHA-OLZOCXBDSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644709 370154240 /nfs/dbraw/zinc/15/42/40/370154240.db2.gz PWHSTAMEZUBBHA-OLZOCXBDSA-N 2 2 295.496 3.355 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C1CC1)C1CC1 ZINC000101548067 370290800 /nfs/dbraw/zinc/29/08/00/370290800.db2.gz SRBJNUFABDIXMH-UHFFFAOYSA-N 2 2 281.403 3.493 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C1CC1)C1CC1 ZINC000101548067 370290803 /nfs/dbraw/zinc/29/08/03/370290803.db2.gz SRBJNUFABDIXMH-UHFFFAOYSA-N 2 2 281.403 3.493 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510703730 244963096 /nfs/dbraw/zinc/96/30/96/244963096.db2.gz PGCDXBQTBRMMOL-KZNAEPCWSA-N 2 2 272.436 3.458 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111705 370368952 /nfs/dbraw/zinc/36/89/52/370368952.db2.gz XEEHOCINTOGGNX-CYBMUJFWSA-N 2 2 276.428 3.276 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198760 370492892 /nfs/dbraw/zinc/49/28/92/370492892.db2.gz ITVFLCGVIWWRIF-VXGBXAGGSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198760 370492896 /nfs/dbraw/zinc/49/28/96/370492896.db2.gz ITVFLCGVIWWRIF-VXGBXAGGSA-N 2 2 284.806 3.424 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344028827 217017971 /nfs/dbraw/zinc/01/79/71/217017971.db2.gz AZFGSSKJTVVECX-WCXIOVBPSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000344028827 217017973 /nfs/dbraw/zinc/01/79/73/217017973.db2.gz AZFGSSKJTVVECX-WCXIOVBPSA-N 2 2 294.483 3.187 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000151035709 371559983 /nfs/dbraw/zinc/55/99/83/371559983.db2.gz QVHLJDOBEZXTKY-MRXNPFEDSA-N 2 2 298.430 3.478 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000151035709 371559988 /nfs/dbraw/zinc/55/99/88/371559988.db2.gz QVHLJDOBEZXTKY-MRXNPFEDSA-N 2 2 298.430 3.478 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133050 371574190 /nfs/dbraw/zinc/57/41/90/371574190.db2.gz NRLBOUYUSNABHL-INIZCTEOSA-N 2 2 285.391 3.085 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287121521 371608217 /nfs/dbraw/zinc/60/82/17/371608217.db2.gz RCQYJVRLEUNNLW-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663927 371622176 /nfs/dbraw/zinc/62/21/76/371622176.db2.gz ISQWOCZAIZITSW-ZOBUZTSGSA-N 3 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663927 371622179 /nfs/dbraw/zinc/62/21/79/371622179.db2.gz ISQWOCZAIZITSW-ZOBUZTSGSA-N 3 2 298.434 3.006 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421804200 371637560 /nfs/dbraw/zinc/63/75/60/371637560.db2.gz SXMGHRKVQXHPCP-GFCCVEGCSA-N 2 2 269.820 3.118 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)[NH+](C)C ZINC000421805874 371637593 /nfs/dbraw/zinc/63/75/93/371637593.db2.gz YBCVMKFKULRMJU-NSHDSACASA-N 2 2 286.822 3.340 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421837862 371661024 /nfs/dbraw/zinc/66/10/24/371661024.db2.gz UDSXQKGRHXZAEV-SGMGOOAPSA-N 2 2 296.842 3.482 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421837862 371661034 /nfs/dbraw/zinc/66/10/34/371661034.db2.gz UDSXQKGRHXZAEV-SGMGOOAPSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422706039 371759419 /nfs/dbraw/zinc/75/94/19/371759419.db2.gz SRICFYJDSJWGLU-JKSUJKDBSA-N 2 2 276.424 3.124 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422709600 371762314 /nfs/dbraw/zinc/76/23/14/371762314.db2.gz ZKIMVAQZMFXWFV-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422719830 371767229 /nfs/dbraw/zinc/76/72/29/371767229.db2.gz RPKPBIHZJXLREQ-CYBMUJFWSA-N 2 2 285.391 3.132 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422722729 371767550 /nfs/dbraw/zinc/76/75/50/371767550.db2.gz YRMGSVYWJOEWQN-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000422734456 371775338 /nfs/dbraw/zinc/77/53/38/371775338.db2.gz SIRIJMHHWSOXNR-HZPDHXFCSA-N 3 2 291.483 3.223 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289631955 371778159 /nfs/dbraw/zinc/77/81/59/371778159.db2.gz HHNMRLFCNNDHMZ-AWEZNQCLSA-N 2 2 283.419 3.370 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337330619 214010308 /nfs/dbraw/zinc/01/03/08/214010308.db2.gz GVFQTMBSXHHCIB-RYQLBKOJSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337330619 214010310 /nfs/dbraw/zinc/01/03/10/214010310.db2.gz GVFQTMBSXHHCIB-RYQLBKOJSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)Cn1cc[nH+]c1 ZINC000337329792 214010690 /nfs/dbraw/zinc/01/06/90/214010690.db2.gz FXPMNYINKUYZMQ-RYRKJORJSA-N 2 2 298.434 3.230 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422757473 371788078 /nfs/dbraw/zinc/78/80/78/371788078.db2.gz DANLLLYWXDVGIA-MOPGFXCFSA-N 2 2 295.430 3.369 20 0 CGADLP COCC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000289668111 371788354 /nfs/dbraw/zinc/78/83/54/371788354.db2.gz RIKGXLOGWQGSSE-UHFFFAOYSA-N 2 2 287.407 3.021 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000337339290 214016092 /nfs/dbraw/zinc/01/60/92/214016092.db2.gz OMDYVAMUSANLQP-CABCVRRESA-N 2 2 296.480 3.288 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422770970 371794716 /nfs/dbraw/zinc/79/47/16/371794716.db2.gz QXLMMPJGZRJHEJ-DNVCBOLYSA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422786180 371808706 /nfs/dbraw/zinc/80/87/06/371808706.db2.gz SHZVODZWJYMZBP-KGLIPLIRSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422806547 371820102 /nfs/dbraw/zinc/82/01/02/371820102.db2.gz NOLCLWWPDNSTGN-PXAZEXFGSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000422807307 371822693 /nfs/dbraw/zinc/82/26/93/371822693.db2.gz MCPZKJBWEDIHPZ-UHIISALHSA-N 2 2 252.427 3.156 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814815 371827246 /nfs/dbraw/zinc/82/72/46/371827246.db2.gz AGNLVZQJGMQULQ-IJEWVQPXSA-N 2 2 294.414 3.103 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422872700 371848674 /nfs/dbraw/zinc/84/86/74/371848674.db2.gz IIVRKQUYCLGZQU-ZBFHGGJFSA-N 2 2 276.424 3.012 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422877525 371849994 /nfs/dbraw/zinc/84/99/94/371849994.db2.gz RPFZTMWKKAVCHW-HOTGVXAUSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422919621 371869036 /nfs/dbraw/zinc/86/90/36/371869036.db2.gz KMQNLWOJKICTBR-GUTXKFCHSA-N 2 2 296.842 3.228 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(F)c1 ZINC000422930104 371875455 /nfs/dbraw/zinc/87/54/55/371875455.db2.gz SDWKMYOHOOXWHV-IRXDYDNUSA-N 2 2 286.350 3.069 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423063576 371940959 /nfs/dbraw/zinc/94/09/59/371940959.db2.gz PGAXWDQCSZLYIF-KWCYVHTRSA-N 2 2 286.341 3.063 20 0 CGADLP CCCCCn1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(C)n1 ZINC000423033988 371926794 /nfs/dbraw/zinc/92/67/94/371926794.db2.gz ZZVLENPWFKNWRW-NVXWUHKLSA-N 2 2 292.471 3.002 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423045975 371930992 /nfs/dbraw/zinc/93/09/92/371930992.db2.gz DOABYMHWSRPWOA-KGLIPLIRSA-N 2 2 268.351 3.244 20 0 CGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423097526 371962887 /nfs/dbraw/zinc/96/28/87/371962887.db2.gz JEZHXYGRZKZQEZ-ZBFHGGJFSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000290376344 371977019 /nfs/dbraw/zinc/97/70/19/371977019.db2.gz NRWJOTZIQRGGRI-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000423135551 371984880 /nfs/dbraw/zinc/98/48/80/371984880.db2.gz UFOGNSUCQRWQHS-USWWRNFRSA-N 2 2 284.856 3.367 20 0 CGADLP CC[N@H+](CC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156594645 371986800 /nfs/dbraw/zinc/98/68/00/371986800.db2.gz XBPKGDHJBIRHPN-UHFFFAOYSA-N 2 2 273.424 3.030 20 0 CGADLP CC[N@@H+](CC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156594645 371986807 /nfs/dbraw/zinc/98/68/07/371986807.db2.gz XBPKGDHJBIRHPN-UHFFFAOYSA-N 2 2 273.424 3.030 20 0 CGADLP C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423143899 371988423 /nfs/dbraw/zinc/98/84/23/371988423.db2.gz FKQVVBFAXZYRGC-SJCJKPOMSA-N 2 2 276.399 3.323 20 0 CGADLP CC/C=C/C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423165456 371998572 /nfs/dbraw/zinc/99/85/72/371998572.db2.gz XYRHZPOAZDJPLX-ADDHZHGLSA-N 2 2 274.408 3.044 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000155934014 371952704 /nfs/dbraw/zinc/95/27/04/371952704.db2.gz YWEBBBYVJDCNJF-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197554 372021359 /nfs/dbraw/zinc/02/13/59/372021359.db2.gz ZVSWWMNFAWJMRE-HOCLYGCPSA-N 2 2 278.465 3.145 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000423199198 372023091 /nfs/dbraw/zinc/02/30/91/372023091.db2.gz JNNIOIHTKSECOZ-SSDOTTSWSA-N 2 2 267.225 3.315 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423392484 372060589 /nfs/dbraw/zinc/06/05/89/372060589.db2.gz XOUSFXZXJRNAER-ABAIWWIYSA-N 2 2 266.816 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423232555 372042254 /nfs/dbraw/zinc/04/22/54/372042254.db2.gz IMQIEOWNUXEPBJ-JBLDHEPKSA-N 2 2 268.451 3.015 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236333 372042509 /nfs/dbraw/zinc/04/25/09/372042509.db2.gz ODNHDIAXDWCKIQ-IINYFYTJSA-N 2 2 285.218 3.322 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000423226102 372042531 /nfs/dbraw/zinc/04/25/31/372042531.db2.gz PKIYGABGRAAWSE-ZDUSSCGKSA-N 2 2 274.330 3.212 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000423252951 372045000 /nfs/dbraw/zinc/04/50/00/372045000.db2.gz YIHRMVAJXMCWRD-HUUCEWRRSA-N 2 2 272.417 3.415 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)[C@@H]1C ZINC000423361029 372056492 /nfs/dbraw/zinc/05/64/92/372056492.db2.gz GLHBLGVOWMRULC-DOVXUCIZSA-N 2 2 294.389 3.044 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc21 ZINC000423177657 372006308 /nfs/dbraw/zinc/00/63/08/372006308.db2.gz BBIOGNOMNCZPNT-GXTWGEPZSA-N 2 2 288.391 3.234 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc21 ZINC000423177661 372007536 /nfs/dbraw/zinc/00/75/36/372007536.db2.gz BBIOGNOMNCZPNT-TZMCWYRMSA-N 2 2 288.391 3.234 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423459136 372065287 /nfs/dbraw/zinc/06/52/87/372065287.db2.gz HRZHJJPHMGPQGP-TZMCWYRMSA-N 2 2 282.815 3.189 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000290966009 372084074 /nfs/dbraw/zinc/08/40/74/372084074.db2.gz WVQVWTZEKUYCPO-UHFFFAOYSA-N 2 2 271.408 3.013 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672408 541868655 /nfs/dbraw/zinc/86/86/55/541868655.db2.gz KHAPXTNRUYROLV-TZMCWYRMSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672408 541868660 /nfs/dbraw/zinc/86/86/60/541868660.db2.gz KHAPXTNRUYROLV-TZMCWYRMSA-N 2 2 264.438 3.153 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672483 541867675 /nfs/dbraw/zinc/86/76/75/541867675.db2.gz FFMOGQDIGBVQJA-NVXWUHKLSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672483 541867679 /nfs/dbraw/zinc/86/76/79/541867679.db2.gz FFMOGQDIGBVQJA-NVXWUHKLSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425329360 372122719 /nfs/dbraw/zinc/12/27/19/372122719.db2.gz TZADVBLGXXGLRW-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425329360 372122720 /nfs/dbraw/zinc/12/27/20/372122720.db2.gz TZADVBLGXXGLRW-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672418 541868752 /nfs/dbraw/zinc/86/87/52/541868752.db2.gz LVDNVCNIXGMNAA-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672418 541868756 /nfs/dbraw/zinc/86/87/56/541868756.db2.gz LVDNVCNIXGMNAA-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797443 372212790 /nfs/dbraw/zinc/21/27/90/372212790.db2.gz NAZPNULCWJDULP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797443 372212801 /nfs/dbraw/zinc/21/28/01/372212801.db2.gz NAZPNULCWJDULP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797443 372212806 /nfs/dbraw/zinc/21/28/06/372212806.db2.gz NAZPNULCWJDULP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797443 372212823 /nfs/dbraw/zinc/21/28/23/372212823.db2.gz NAZPNULCWJDULP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000040673022 541869301 /nfs/dbraw/zinc/86/93/01/541869301.db2.gz KWZNSTZVWGWMIY-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000040673022 541869305 /nfs/dbraw/zinc/86/93/05/541869305.db2.gz KWZNSTZVWGWMIY-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672968 541870789 /nfs/dbraw/zinc/87/07/89/541870789.db2.gz CZLYRYRGWQAXMM-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672968 541870793 /nfs/dbraw/zinc/87/07/93/541870793.db2.gz CZLYRYRGWQAXMM-WBVHZDCISA-N 2 2 274.452 3.427 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429005785 372303117 /nfs/dbraw/zinc/30/31/17/372303117.db2.gz ZDOZVQLIFDYKMX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429005785 372303122 /nfs/dbraw/zinc/30/31/22/372303122.db2.gz ZDOZVQLIFDYKMX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429005785 372303128 /nfs/dbraw/zinc/30/31/28/372303128.db2.gz ZDOZVQLIFDYKMX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429005785 372303133 /nfs/dbraw/zinc/30/31/33/372303133.db2.gz ZDOZVQLIFDYKMX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175521 372451185 /nfs/dbraw/zinc/45/11/85/372451185.db2.gz KMAVOEBCPIVXOX-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175521 372451194 /nfs/dbraw/zinc/45/11/94/372451194.db2.gz KMAVOEBCPIVXOX-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225282 372455004 /nfs/dbraw/zinc/45/50/04/372455004.db2.gz PKUOOMQZNULVJY-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225282 372455012 /nfs/dbraw/zinc/45/50/12/372455012.db2.gz PKUOOMQZNULVJY-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000163313165 372460994 /nfs/dbraw/zinc/46/09/94/372460994.db2.gz WKJDLWHURMOJGA-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000163313165 372461005 /nfs/dbraw/zinc/46/10/05/372461005.db2.gz WKJDLWHURMOJGA-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165378859 372549113 /nfs/dbraw/zinc/54/91/13/372549113.db2.gz KCTBCWDIXGHXDA-CYBMUJFWSA-N 2 2 264.388 3.178 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000432237923 372549390 /nfs/dbraw/zinc/54/93/90/372549390.db2.gz AHIOZKMEJDXTET-HCEZTOJASA-N 2 2 294.483 3.185 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000432237923 372549392 /nfs/dbraw/zinc/54/93/92/372549392.db2.gz AHIOZKMEJDXTET-HCEZTOJASA-N 2 2 294.483 3.185 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000432237924 372549539 /nfs/dbraw/zinc/54/95/39/372549539.db2.gz AHIOZKMEJDXTET-UJEKJILKSA-N 2 2 294.483 3.185 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000432237924 372549547 /nfs/dbraw/zinc/54/95/47/372549547.db2.gz AHIOZKMEJDXTET-UJEKJILKSA-N 2 2 294.483 3.185 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+](Cc2ccccc2)C1 ZINC000344459844 217198030 /nfs/dbraw/zinc/19/80/30/217198030.db2.gz ICXCQZZYGUYTIC-SJLPKXTDSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+](Cc2ccccc2)C1 ZINC000344459844 217198032 /nfs/dbraw/zinc/19/80/32/217198032.db2.gz ICXCQZZYGUYTIC-SJLPKXTDSA-N 2 2 298.430 3.322 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(O)c1Cl ZINC000294005088 372551870 /nfs/dbraw/zinc/55/18/70/372551870.db2.gz SZMDPENJVWAKLV-UHFFFAOYSA-N 2 2 293.798 3.073 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(O)c1Cl ZINC000294005088 372551882 /nfs/dbraw/zinc/55/18/82/372551882.db2.gz SZMDPENJVWAKLV-UHFFFAOYSA-N 2 2 293.798 3.073 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000165736270 372556481 /nfs/dbraw/zinc/55/64/81/372556481.db2.gz UJDWKQCIRTUEOT-ZDUSSCGKSA-N 2 2 264.388 3.178 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c21 ZINC000165261297 372547376 /nfs/dbraw/zinc/54/73/76/372547376.db2.gz XXGDKDUXMBNPLF-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c21 ZINC000165261297 372547377 /nfs/dbraw/zinc/54/73/77/372547377.db2.gz XXGDKDUXMBNPLF-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000434776882 372709774 /nfs/dbraw/zinc/70/97/74/372709774.db2.gz OJQVRIDNXKYCDI-IIAWOOMASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000434776882 372709781 /nfs/dbraw/zinc/70/97/81/372709781.db2.gz OJQVRIDNXKYCDI-IIAWOOMASA-N 2 2 264.457 3.418 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434797608 372714585 /nfs/dbraw/zinc/71/45/85/372714585.db2.gz ZFJVRILSCMADQZ-WHLIDYPQSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434797608 372714587 /nfs/dbraw/zinc/71/45/87/372714587.db2.gz ZFJVRILSCMADQZ-WHLIDYPQSA-N 2 2 288.410 3.445 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OCC ZINC000171126911 372716460 /nfs/dbraw/zinc/71/64/60/372716460.db2.gz JMVNLHFARBPOIH-GFCCVEGCSA-N 2 2 289.379 3.058 20 0 CGADLP c1ccc2cc(OCC[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000435231632 372743142 /nfs/dbraw/zinc/74/31/42/372743142.db2.gz XVBNMCFQCQLPKO-GOSISDBHSA-N 2 2 296.414 3.045 20 0 CGADLP c1ccc2cc(OCC[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000435231632 372743145 /nfs/dbraw/zinc/74/31/45/372743145.db2.gz XVBNMCFQCQLPKO-GOSISDBHSA-N 2 2 296.414 3.045 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000510750318 294725637 /nfs/dbraw/zinc/72/56/37/294725637.db2.gz JZLWHABSUKZYTD-HOTGVXAUSA-N 2 2 270.436 3.370 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344592124 217242067 /nfs/dbraw/zinc/24/20/67/217242067.db2.gz LGUTUKLEYSZLGL-ULQDDVLXSA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344592124 217242068 /nfs/dbraw/zinc/24/20/68/217242068.db2.gz LGUTUKLEYSZLGL-ULQDDVLXSA-N 2 2 282.472 3.140 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604045 217245228 /nfs/dbraw/zinc/24/52/28/217245228.db2.gz LJFARNLJAMCITP-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604045 217245230 /nfs/dbraw/zinc/24/52/30/217245230.db2.gz LJFARNLJAMCITP-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172014088 372883722 /nfs/dbraw/zinc/88/37/22/372883722.db2.gz ICZXGUVYHIUMQR-SJLPKXTDSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172014088 372883729 /nfs/dbraw/zinc/88/37/29/372883729.db2.gz ICZXGUVYHIUMQR-SJLPKXTDSA-N 2 2 272.436 3.350 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC2CCCC2)CC1 ZINC000344746347 217297038 /nfs/dbraw/zinc/29/70/38/217297038.db2.gz MLDSWNSDZKFSSH-OAHLLOKOSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cs1 ZINC000296158323 373040046 /nfs/dbraw/zinc/04/00/46/373040046.db2.gz XBDYYDVXHRZAGY-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP CCC[N@H+](CC)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353523710 220138388 /nfs/dbraw/zinc/13/83/88/220138388.db2.gz YIZRQNCLBJKLDU-MRXNPFEDSA-N 2 2 292.471 3.353 20 0 CGADLP CCC[N@@H+](CC)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353523710 220138391 /nfs/dbraw/zinc/13/83/91/220138391.db2.gz YIZRQNCLBJKLDU-MRXNPFEDSA-N 2 2 292.471 3.353 20 0 CGADLP COCC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000296287218 373079583 /nfs/dbraw/zinc/07/95/83/373079583.db2.gz FKTYUMKREICBLY-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000442870254 373111520 /nfs/dbraw/zinc/11/15/20/373111520.db2.gz FZROEKZJSGTCAN-CHWSQXEVSA-N 2 2 287.432 3.271 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442871777 373111816 /nfs/dbraw/zinc/11/18/16/373111816.db2.gz GSEMWXOQMNUWKP-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000296669291 373215745 /nfs/dbraw/zinc/21/57/45/373215745.db2.gz KQRPAVJMTJSDQU-HLLBOEOZSA-N 2 2 269.392 3.150 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000296669291 373215755 /nfs/dbraw/zinc/21/57/55/373215755.db2.gz KQRPAVJMTJSDQU-HLLBOEOZSA-N 2 2 269.392 3.150 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC000173954838 373223463 /nfs/dbraw/zinc/22/34/63/373223463.db2.gz PYOZOLCERZQOTJ-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC000173954838 373223469 /nfs/dbraw/zinc/22/34/69/373223469.db2.gz PYOZOLCERZQOTJ-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(F)ccc1F ZINC000173954838 373223474 /nfs/dbraw/zinc/22/34/74/373223474.db2.gz PYOZOLCERZQOTJ-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1F ZINC000173954838 373223481 /nfs/dbraw/zinc/22/34/81/373223481.db2.gz PYOZOLCERZQOTJ-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(Cl)ccc1F ZINC000444708051 373244461 /nfs/dbraw/zinc/24/44/61/373244461.db2.gz QVLFHVFEOHHSQJ-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(Cl)ccc1F ZINC000444708051 373244466 /nfs/dbraw/zinc/24/44/66/373244466.db2.gz QVLFHVFEOHHSQJ-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1F ZINC000444708051 373244469 /nfs/dbraw/zinc/24/44/69/373244469.db2.gz QVLFHVFEOHHSQJ-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1F ZINC000444708051 373244474 /nfs/dbraw/zinc/24/44/74/373244474.db2.gz QVLFHVFEOHHSQJ-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP CC[C@H](C[N@H+](CC)CCc1c[nH+]cn1C)c1ccccc1 ZINC000298556385 373354376 /nfs/dbraw/zinc/35/43/76/373354376.db2.gz VJGIZBAKCKOHDQ-MRXNPFEDSA-N 2 2 285.435 3.478 20 0 CGADLP CC[C@H](C[N@@H+](CC)CCc1c[nH+]cn1C)c1ccccc1 ZINC000298556385 373354389 /nfs/dbraw/zinc/35/43/89/373354389.db2.gz VJGIZBAKCKOHDQ-MRXNPFEDSA-N 2 2 285.435 3.478 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298909075 373434135 /nfs/dbraw/zinc/43/41/35/373434135.db2.gz NAANCYYQHQZNLK-PBHICJAKSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]CCCc1c(F)cccc1Cl ZINC000447819397 373498631 /nfs/dbraw/zinc/49/86/31/373498631.db2.gz ZVWRMAHCMOBTML-UHFFFAOYSA-N 2 2 286.822 3.342 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]CCCc1c(F)cccc1Cl ZINC000447819397 373498637 /nfs/dbraw/zinc/49/86/37/373498637.db2.gz ZVWRMAHCMOBTML-UHFFFAOYSA-N 2 2 286.822 3.342 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726057 373509732 /nfs/dbraw/zinc/50/97/32/373509732.db2.gz XPTBDLJKKKTSBE-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726057 373509747 /nfs/dbraw/zinc/50/97/47/373509747.db2.gz XPTBDLJKKKTSBE-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726057 373509754 /nfs/dbraw/zinc/50/97/54/373509754.db2.gz XPTBDLJKKKTSBE-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726057 373509758 /nfs/dbraw/zinc/50/97/58/373509758.db2.gz XPTBDLJKKKTSBE-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000447900136 373521446 /nfs/dbraw/zinc/52/14/46/373521446.db2.gz ABEUMBDAQAECFV-PDWMJMLSSA-N 2 2 286.463 3.453 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000447900136 373521456 /nfs/dbraw/zinc/52/14/56/373521456.db2.gz ABEUMBDAQAECFV-PDWMJMLSSA-N 2 2 286.463 3.453 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CCC1 ZINC000448022251 373536684 /nfs/dbraw/zinc/53/66/84/373536684.db2.gz NENUQODZLJTJHQ-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CCC1 ZINC000448022251 373536690 /nfs/dbraw/zinc/53/66/90/373536690.db2.gz NENUQODZLJTJHQ-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448029637 373540104 /nfs/dbraw/zinc/54/01/04/373540104.db2.gz QTKLHRUGXPBDJH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448029637 373540116 /nfs/dbraw/zinc/54/01/16/373540116.db2.gz QTKLHRUGXPBDJH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032254 373541182 /nfs/dbraw/zinc/54/11/82/373541182.db2.gz WFCMDBDQFXQPFR-NWDGAFQWSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032254 373541186 /nfs/dbraw/zinc/54/11/86/373541186.db2.gz WFCMDBDQFXQPFR-NWDGAFQWSA-N 2 2 280.378 3.427 20 0 CGADLP c1cn(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)c[nH+]1 ZINC000448072172 373545645 /nfs/dbraw/zinc/54/56/45/373545645.db2.gz ZIJJKHWYLWYOKR-UHFFFAOYSA-N 2 2 281.403 3.354 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCC2 ZINC000353633077 220210680 /nfs/dbraw/zinc/21/06/80/220210680.db2.gz VWDOIJRYSQHDDE-PWSUYJOCSA-N 2 2 287.432 3.168 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000353633077 220210681 /nfs/dbraw/zinc/21/06/81/220210681.db2.gz VWDOIJRYSQHDDE-PWSUYJOCSA-N 2 2 287.432 3.168 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414597 373632576 /nfs/dbraw/zinc/63/25/76/373632576.db2.gz MZMAXWNHTADWHF-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000300414597 373632583 /nfs/dbraw/zinc/63/25/83/373632583.db2.gz MZMAXWNHTADWHF-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301087453 373655118 /nfs/dbraw/zinc/65/51/18/373655118.db2.gz JLEZUFHTBIIYFN-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1cc(NCC[N@H+]2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301087453 373655124 /nfs/dbraw/zinc/65/51/24/373655124.db2.gz JLEZUFHTBIIYFN-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000177287618 373672183 /nfs/dbraw/zinc/67/21/83/373672183.db2.gz JWIFWICJRABFFF-ZIAGYGMSSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000177287618 373672192 /nfs/dbraw/zinc/67/21/92/373672192.db2.gz JWIFWICJRABFFF-ZIAGYGMSSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000177340466 373677029 /nfs/dbraw/zinc/67/70/29/373677029.db2.gz BRWXCHOVEWXSTI-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000177340466 373677039 /nfs/dbraw/zinc/67/70/39/373677039.db2.gz BRWXCHOVEWXSTI-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1CCC[C@](CNc2cc[nH+]c(C3CC3)n2)([NH+](C)C)C1 ZINC000301224702 373699190 /nfs/dbraw/zinc/69/91/90/373699190.db2.gz CWKSPLDXNXOTET-GUYCJALGSA-N 2 2 288.439 3.276 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000178074072 373742038 /nfs/dbraw/zinc/74/20/38/373742038.db2.gz VDMFNWWIQCBWBU-GJZGRUSLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000178074072 373742043 /nfs/dbraw/zinc/74/20/43/373742043.db2.gz VDMFNWWIQCBWBU-GJZGRUSLSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000178262732 373758886 /nfs/dbraw/zinc/75/88/86/373758886.db2.gz KYYIZYGBECEDHL-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1 ZINC000178262716 373759371 /nfs/dbraw/zinc/75/93/71/373759371.db2.gz KYYIZYGBECEDHL-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329128 373766344 /nfs/dbraw/zinc/76/63/44/373766344.db2.gz KANQGWPCCZVBFI-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329128 373766353 /nfs/dbraw/zinc/76/63/53/373766353.db2.gz KANQGWPCCZVBFI-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc[nH+]c(NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000301664620 373795855 /nfs/dbraw/zinc/79/58/55/373795855.db2.gz ZHLULBJKULQWIB-UHFFFAOYSA-N 2 2 291.464 3.164 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000449769817 373899060 /nfs/dbraw/zinc/89/90/60/373899060.db2.gz CKTRGLYRAHHRPH-ZDUSSCGKSA-N 2 2 289.448 3.364 20 0 CGADLP COc1ccccc1CC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180066338 373961936 /nfs/dbraw/zinc/96/19/36/373961936.db2.gz ASGZJKFJASLWRC-UHFFFAOYSA-N 2 2 295.386 3.017 20 0 CGADLP COc1ccccc1CC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180066338 373961942 /nfs/dbraw/zinc/96/19/42/373961942.db2.gz ASGZJKFJASLWRC-UHFFFAOYSA-N 2 2 295.386 3.017 20 0 CGADLP CC(C)c1cc(N2CC[NH+]3CCC2CC3)nc(C(C)C)[nH+]1 ZINC000302614249 373907008 /nfs/dbraw/zinc/90/70/08/373907008.db2.gz BFFKNRABZMYTGO-UHFFFAOYSA-N 2 2 288.439 3.008 20 0 CGADLP COc1cccc2c(NC[C@@H](C)C[NH+]3CCCC3)cc[nH+]c12 ZINC000302615731 373908081 /nfs/dbraw/zinc/90/80/81/373908081.db2.gz CKMGMUVZCWGQJO-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H]([NH+](C)C)C1 ZINC000302657098 373916818 /nfs/dbraw/zinc/91/68/18/373916818.db2.gz OFXBISPUAMVQTM-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP COC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000180198185 373976639 /nfs/dbraw/zinc/97/66/39/373976639.db2.gz KIHCBMJIIIVIBK-CQSZACIVSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000180348871 373993247 /nfs/dbraw/zinc/99/32/47/373993247.db2.gz SZCGJQMRTIWCHX-HOCLYGCPSA-N 2 2 270.420 3.281 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000180348871 373993254 /nfs/dbraw/zinc/99/32/54/373993254.db2.gz SZCGJQMRTIWCHX-HOCLYGCPSA-N 2 2 270.420 3.281 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC1(C)C ZINC000450450905 374136806 /nfs/dbraw/zinc/13/68/06/374136806.db2.gz GEHPFJONGPMBGJ-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC1(C)C ZINC000450450905 374136816 /nfs/dbraw/zinc/13/68/16/374136816.db2.gz GEHPFJONGPMBGJ-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)CC1(C)C ZINC000450450905 374136821 /nfs/dbraw/zinc/13/68/21/374136821.db2.gz GEHPFJONGPMBGJ-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)CC1(C)C ZINC000450450905 374136826 /nfs/dbraw/zinc/13/68/26/374136826.db2.gz GEHPFJONGPMBGJ-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1Br ZINC000310131134 374208549 /nfs/dbraw/zinc/20/85/49/374208549.db2.gz KTCZJEMFHMVENL-NWDGAFQWSA-N 2 2 299.256 3.297 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCCC1 ZINC000320361593 374351558 /nfs/dbraw/zinc/35/15/58/374351558.db2.gz XYXGJLZIORCNFP-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000320361593 374351565 /nfs/dbraw/zinc/35/15/65/374351565.db2.gz XYXGJLZIORCNFP-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262514 374376860 /nfs/dbraw/zinc/37/68/60/374376860.db2.gz STJBMPRFBLFZRR-PXAZEXFGSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262514 374376867 /nfs/dbraw/zinc/37/68/67/374376867.db2.gz STJBMPRFBLFZRR-PXAZEXFGSA-N 2 2 276.399 3.133 20 0 CGADLP Fc1cccc(C[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183167800 374379478 /nfs/dbraw/zinc/37/94/78/374379478.db2.gz VBICYIFKDOMAFK-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1cccc(C[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183167800 374379482 /nfs/dbraw/zinc/37/94/82/374379482.db2.gz VBICYIFKDOMAFK-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccsc1 ZINC000453277853 374386799 /nfs/dbraw/zinc/38/67/99/374386799.db2.gz YMONASPFUWFJNW-HZPDHXFCSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccsc1 ZINC000453277853 374386803 /nfs/dbraw/zinc/38/68/03/374386803.db2.gz YMONASPFUWFJNW-HZPDHXFCSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H](C[N@H+](C)Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000183252733 374391367 /nfs/dbraw/zinc/39/13/67/374391367.db2.gz YQTONSORXNTLQC-GFCCVEGCSA-N 2 2 286.404 3.026 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000183252733 374391373 /nfs/dbraw/zinc/39/13/73/374391373.db2.gz YQTONSORXNTLQC-GFCCVEGCSA-N 2 2 286.404 3.026 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000090405193 541959636 /nfs/dbraw/zinc/95/96/36/541959636.db2.gz UFDRFUZRHOFRLF-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CC[NH+]1CCC(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090803276 541964223 /nfs/dbraw/zinc/96/42/23/541964223.db2.gz WTVZUSNXAHEUPF-UHFFFAOYSA-N 2 2 287.329 3.244 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000185185791 374604131 /nfs/dbraw/zinc/60/41/31/374604131.db2.gz QMSQLRDSFXCGFB-SMDDNHRTSA-N 2 2 280.362 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@H+]1C1CC1 ZINC000185185791 374604135 /nfs/dbraw/zinc/60/41/35/374604135.db2.gz QMSQLRDSFXCGFB-SMDDNHRTSA-N 2 2 280.362 3.339 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(F)cn3)[nH+]c12 ZINC000092766185 541978021 /nfs/dbraw/zinc/97/80/21/541978021.db2.gz ONUCLVQGJXTOCZ-ZDUSSCGKSA-N 2 2 298.365 3.070 20 0 CGADLP CC(C)[NH+](CCSCCCn1cc[nH+]c1)C(C)C ZINC000185638827 374704432 /nfs/dbraw/zinc/70/44/32/374704432.db2.gz SGMVJEHRVQOSAG-UHFFFAOYSA-N 2 2 269.458 3.125 20 0 CGADLP CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000185659413 374707720 /nfs/dbraw/zinc/70/77/20/374707720.db2.gz WWGFGDJHNUELMT-MRXNPFEDSA-N 2 2 284.407 3.410 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)cc1 ZINC000186926888 374940107 /nfs/dbraw/zinc/94/01/07/374940107.db2.gz UABVXWUHHFUMEV-QGZVFWFLSA-N 2 2 269.392 3.323 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000187742730 375086145 /nfs/dbraw/zinc/08/61/45/375086145.db2.gz DTACODQXDATTLL-CQSZACIVSA-N 2 2 297.377 3.237 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000335059751 375098964 /nfs/dbraw/zinc/09/89/64/375098964.db2.gz OLTIRNWQECKMGL-SFYZADRCSA-N 2 2 265.209 3.024 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000187676952 375069717 /nfs/dbraw/zinc/06/97/17/375069717.db2.gz KMUBTRHGTQFHNN-MSOLQXFVSA-N 2 2 283.419 3.373 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)cc1 ZINC000482540145 375171323 /nfs/dbraw/zinc/17/13/23/375171323.db2.gz CODXLZLAOVLCHV-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000482540145 375171329 /nfs/dbraw/zinc/17/13/29/375171329.db2.gz CODXLZLAOVLCHV-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474623355 375120823 /nfs/dbraw/zinc/12/08/23/375120823.db2.gz OZALHPZPYVKTSZ-STQMWFEESA-N 2 2 268.832 3.373 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000474623355 375120828 /nfs/dbraw/zinc/12/08/28/375120828.db2.gz OZALHPZPYVKTSZ-STQMWFEESA-N 2 2 268.832 3.373 20 0 CGADLP c1c(CC[NH2+][C@H]2CCC23CCCC3)[nH+]c2ccccn12 ZINC000189055974 375316760 /nfs/dbraw/zinc/31/67/60/375316760.db2.gz PTUNQLYDNTVHIF-HNNXBMFYSA-N 2 2 269.392 3.189 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@@H+]1C1CC1 ZINC000188720135 375259443 /nfs/dbraw/zinc/25/94/43/375259443.db2.gz YCLFETDJIGHESZ-SUMWQHHRSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@H+]1C1CC1 ZINC000188720135 375259448 /nfs/dbraw/zinc/25/94/48/375259448.db2.gz YCLFETDJIGHESZ-SUMWQHHRSA-N 2 2 270.420 3.279 20 0 CGADLP Cc1nc(C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)oc1C ZINC000335988841 375595681 /nfs/dbraw/zinc/59/56/81/375595681.db2.gz GITVZUZVVLAXNU-UHFFFAOYSA-N 2 2 285.391 3.374 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000499707103 375631273 /nfs/dbraw/zinc/63/12/73/375631273.db2.gz PVOLMEWAPCYNEX-CDRDHLPWSA-N 2 2 284.447 3.322 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000499707103 375631280 /nfs/dbraw/zinc/63/12/80/375631280.db2.gz PVOLMEWAPCYNEX-CDRDHLPWSA-N 2 2 284.447 3.322 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564214 296232374 /nfs/dbraw/zinc/23/23/74/296232374.db2.gz XPDJPKKIOOWUGI-FZMZJTMJSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564214 296232375 /nfs/dbraw/zinc/23/23/75/296232375.db2.gz XPDJPKKIOOWUGI-FZMZJTMJSA-N 2 2 297.240 3.181 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000192056088 375694914 /nfs/dbraw/zinc/69/49/14/375694914.db2.gz HZMLGHIKJZEKGR-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000192056088 375694922 /nfs/dbraw/zinc/69/49/22/375694922.db2.gz HZMLGHIKJZEKGR-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000192056088 375694928 /nfs/dbraw/zinc/69/49/28/375694928.db2.gz HZMLGHIKJZEKGR-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000192056088 375694934 /nfs/dbraw/zinc/69/49/34/375694934.db2.gz HZMLGHIKJZEKGR-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP Cn1cc[nH+]c1[C@H](Nc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000128231764 542050681 /nfs/dbraw/zinc/05/06/81/542050681.db2.gz DATTZEDCZZPNGW-MRXNPFEDSA-N 2 2 284.407 3.045 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000129734229 542059044 /nfs/dbraw/zinc/05/90/44/542059044.db2.gz XPPFEAUENPWVHF-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194062598 375956834 /nfs/dbraw/zinc/95/68/34/375956834.db2.gz IMHRUNAVQLZCDX-DYVFJYSZSA-N 2 2 288.435 3.367 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800927 375951234 /nfs/dbraw/zinc/95/12/34/375951234.db2.gz OFCWQSDMNWNQIC-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800927 375951237 /nfs/dbraw/zinc/95/12/37/375951237.db2.gz OFCWQSDMNWNQIC-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800927 375951239 /nfs/dbraw/zinc/95/12/39/375951239.db2.gz OFCWQSDMNWNQIC-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800927 375951244 /nfs/dbraw/zinc/95/12/44/375951244.db2.gz OFCWQSDMNWNQIC-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000336902385 376026718 /nfs/dbraw/zinc/02/67/18/376026718.db2.gz UKXSGHSZCBSASP-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000336902385 376026726 /nfs/dbraw/zinc/02/67/26/376026726.db2.gz UKXSGHSZCBSASP-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337162774 376107564 /nfs/dbraw/zinc/10/75/64/376107564.db2.gz WAJCLYOSSLFZAE-GOEBONIOSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337162774 376107584 /nfs/dbraw/zinc/10/75/84/376107584.db2.gz WAJCLYOSSLFZAE-GOEBONIOSA-N 2 2 262.397 3.217 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068901 376077192 /nfs/dbraw/zinc/07/71/92/376077192.db2.gz OOVUXXGJXIUFSO-STQMWFEESA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877655 376139103 /nfs/dbraw/zinc/13/91/03/376139103.db2.gz QBVHUNMOVPTZMJ-FZMZJTMJSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877655 376139109 /nfs/dbraw/zinc/13/91/09/376139109.db2.gz QBVHUNMOVPTZMJ-FZMZJTMJSA-N 2 2 298.833 3.296 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615214 376181782 /nfs/dbraw/zinc/18/17/82/376181782.db2.gz NULWHCXSANCKBA-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615214 376181784 /nfs/dbraw/zinc/18/17/84/376181784.db2.gz NULWHCXSANCKBA-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615214 376181789 /nfs/dbraw/zinc/18/17/89/376181789.db2.gz NULWHCXSANCKBA-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000537615214 376181792 /nfs/dbraw/zinc/18/17/92/376181792.db2.gz NULWHCXSANCKBA-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000221149273 376212817 /nfs/dbraw/zinc/21/28/17/376212817.db2.gz OVFBTIKLYVEAIJ-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000221149273 376212821 /nfs/dbraw/zinc/21/28/21/376212821.db2.gz OVFBTIKLYVEAIJ-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000337382742 376217362 /nfs/dbraw/zinc/21/73/62/376217362.db2.gz FPLKXWDVAIYXKU-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000337382742 376217368 /nfs/dbraw/zinc/21/73/68/376217368.db2.gz FPLKXWDVAIYXKU-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116827 376221149 /nfs/dbraw/zinc/22/11/49/376221149.db2.gz OKNNLQDZKBBWBO-DYVFJYSZSA-N 2 2 276.399 3.208 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116827 376221153 /nfs/dbraw/zinc/22/11/53/376221153.db2.gz OKNNLQDZKBBWBO-DYVFJYSZSA-N 2 2 276.399 3.208 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000221782441 376221448 /nfs/dbraw/zinc/22/14/48/376221448.db2.gz RUDWYZGXRXNRSH-UHFFFAOYSA-N 2 2 286.366 3.108 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000221782441 376221456 /nfs/dbraw/zinc/22/14/56/376221456.db2.gz RUDWYZGXRXNRSH-UHFFFAOYSA-N 2 2 286.366 3.108 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000223821900 376264649 /nfs/dbraw/zinc/26/46/49/376264649.db2.gz GNHURMHGBMQJFZ-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP c1[nH]c(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c[nH+]1 ZINC000539829267 376337931 /nfs/dbraw/zinc/33/79/31/376337931.db2.gz MBYAHGUCMXYVCX-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cnc(C4CC4)s3)CC2)[nH+]1 ZINC000539829267 376337934 /nfs/dbraw/zinc/33/79/34/376337934.db2.gz MBYAHGUCMXYVCX-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274845 376306136 /nfs/dbraw/zinc/30/61/36/376306136.db2.gz GHRYOGOXJRPRRV-ZFWWWQNUSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274845 376306140 /nfs/dbraw/zinc/30/61/40/376306140.db2.gz GHRYOGOXJRPRRV-ZFWWWQNUSA-N 2 2 296.361 3.360 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000227674299 376404382 /nfs/dbraw/zinc/40/43/82/376404382.db2.gz LFCCFIUTRNJHDS-GXSJLCMTSA-N 2 2 273.302 3.030 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(CC)CC ZINC000540595897 376384676 /nfs/dbraw/zinc/38/46/76/376384676.db2.gz GOFCEQRZRIRTJU-CVEARBPZSA-N 2 2 293.455 3.237 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2cccc(F)c2)C1)C1CC1 ZINC000228819314 376448834 /nfs/dbraw/zinc/44/88/34/376448834.db2.gz KISKBRSLZRCSSH-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2cccc(F)c2)C1)C1CC1 ZINC000228819314 376448838 /nfs/dbraw/zinc/44/88/38/376448838.db2.gz KISKBRSLZRCSSH-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[N@H+](C)C1CC1 ZINC000229553603 376465645 /nfs/dbraw/zinc/46/56/45/376465645.db2.gz VJASDLYGVPVGGX-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[N@@H+](C)C1CC1 ZINC000229553603 376465658 /nfs/dbraw/zinc/46/56/58/376465658.db2.gz VJASDLYGVPVGGX-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338690912 376481927 /nfs/dbraw/zinc/48/19/27/376481927.db2.gz VNRMQZHOHMBPCH-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338690912 376481929 /nfs/dbraw/zinc/48/19/29/376481929.db2.gz VNRMQZHOHMBPCH-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[NH+](CCC[NH2+]C(C2CCC2)C2CCC2)C[C@H](C)O1 ZINC000338689910 376482011 /nfs/dbraw/zinc/48/20/11/376482011.db2.gz CAVIMBUUHQBNNB-GJZGRUSLSA-N 2 2 294.483 3.044 20 0 CGADLP C[N@H+](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000231669331 376564344 /nfs/dbraw/zinc/56/43/44/376564344.db2.gz MUCQVJMHHWEZOQ-GFCCVEGCSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000231669331 376564348 /nfs/dbraw/zinc/56/43/48/376564348.db2.gz MUCQVJMHHWEZOQ-GFCCVEGCSA-N 2 2 281.469 3.015 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000542776970 376577196 /nfs/dbraw/zinc/57/71/96/376577196.db2.gz AFCJMOPIMVROPF-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000542776970 376577198 /nfs/dbraw/zinc/57/71/98/376577198.db2.gz AFCJMOPIMVROPF-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000542776970 376577200 /nfs/dbraw/zinc/57/72/00/376577200.db2.gz AFCJMOPIMVROPF-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000542776970 376577203 /nfs/dbraw/zinc/57/72/03/376577203.db2.gz AFCJMOPIMVROPF-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000232752247 376586802 /nfs/dbraw/zinc/58/68/02/376586802.db2.gz XKZLQIRZXPOAND-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000232752247 376586809 /nfs/dbraw/zinc/58/68/09/376586809.db2.gz XKZLQIRZXPOAND-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000232755734 376587072 /nfs/dbraw/zinc/58/70/72/376587072.db2.gz XKZLQIRZXPOAND-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000232755734 376587083 /nfs/dbraw/zinc/58/70/83/376587083.db2.gz XKZLQIRZXPOAND-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000339170062 376723143 /nfs/dbraw/zinc/72/31/43/376723143.db2.gz NOITYNMISJCELJ-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000339170062 376723150 /nfs/dbraw/zinc/72/31/50/376723150.db2.gz NOITYNMISJCELJ-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543755122 376674900 /nfs/dbraw/zinc/67/49/00/376674900.db2.gz PVIAIXNOPJTDQI-RDBSUJKOSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543755122 376674910 /nfs/dbraw/zinc/67/49/10/376674910.db2.gz PVIAIXNOPJTDQI-RDBSUJKOSA-N 2 2 293.480 3.447 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000157548412 542134604 /nfs/dbraw/zinc/13/46/04/542134604.db2.gz FGANQXCFJSESOA-ZLKJLUDKSA-N 2 2 279.453 3.037 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000157548412 542134610 /nfs/dbraw/zinc/13/46/10/542134610.db2.gz FGANQXCFJSESOA-ZLKJLUDKSA-N 2 2 279.453 3.037 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157625967 542135087 /nfs/dbraw/zinc/13/50/87/542135087.db2.gz GKAGURAIIMNGCE-RTBURBONSA-N 2 2 284.447 3.082 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157625967 542135092 /nfs/dbraw/zinc/13/50/92/542135092.db2.gz GKAGURAIIMNGCE-RTBURBONSA-N 2 2 284.447 3.082 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646423 542135830 /nfs/dbraw/zinc/13/58/30/542135830.db2.gz APJQXZDQRSKDMF-AEFFLSMTSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646423 542135832 /nfs/dbraw/zinc/13/58/32/542135832.db2.gz APJQXZDQRSKDMF-AEFFLSMTSA-N 2 2 288.435 3.220 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000157814583 542140244 /nfs/dbraw/zinc/14/02/44/542140244.db2.gz PMYPNPSHYIXSGR-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000157814583 542140248 /nfs/dbraw/zinc/14/02/48/542140248.db2.gz PMYPNPSHYIXSGR-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000340107999 376921793 /nfs/dbraw/zinc/92/17/93/376921793.db2.gz GTAPDOAOAMWJHG-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OC(C)C ZINC000340194868 376944930 /nfs/dbraw/zinc/94/49/30/376944930.db2.gz NJQQTEPXYQEWQD-LBPRGKRZSA-N 2 2 289.379 3.056 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000340238162 376959351 /nfs/dbraw/zinc/95/93/51/376959351.db2.gz YJNRDAHRNQNANL-HLLBOEOZSA-N 2 2 290.451 3.225 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000340238162 376959357 /nfs/dbraw/zinc/95/93/57/376959357.db2.gz YJNRDAHRNQNANL-HLLBOEOZSA-N 2 2 290.451 3.225 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340256725 376966086 /nfs/dbraw/zinc/96/60/86/376966086.db2.gz HNIYMOZOODZFPW-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340256725 376966090 /nfs/dbraw/zinc/96/60/90/376966090.db2.gz HNIYMOZOODZFPW-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699559 377035655 /nfs/dbraw/zinc/03/56/55/377035655.db2.gz XFNTULCCONORJN-INDMIFKZSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699559 377035661 /nfs/dbraw/zinc/03/56/61/377035661.db2.gz XFNTULCCONORJN-INDMIFKZSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)nc1 ZINC000340423126 377049195 /nfs/dbraw/zinc/04/91/95/377049195.db2.gz ZKVDHAFCXSXVDO-RJYAGPCLSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000340288763 376985616 /nfs/dbraw/zinc/98/56/16/376985616.db2.gz MKMIOZZUNBKREH-HZSPNIEDSA-N 2 2 283.366 3.201 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000340288763 376985630 /nfs/dbraw/zinc/98/56/30/376985630.db2.gz MKMIOZZUNBKREH-HZSPNIEDSA-N 2 2 283.366 3.201 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C1CC1 ZINC000558404868 377002055 /nfs/dbraw/zinc/00/20/55/377002055.db2.gz MZPVCJZTSKRIFX-UHFFFAOYSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)C1CC1 ZINC000558404868 377002065 /nfs/dbraw/zinc/00/20/65/377002065.db2.gz MZPVCJZTSKRIFX-UHFFFAOYSA-N 2 2 294.389 3.285 20 0 CGADLP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246626417 377063504 /nfs/dbraw/zinc/06/35/04/377063504.db2.gz UZAXIGAMZJJRFG-WFASDCNBSA-N 2 2 284.806 3.470 20 0 CGADLP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246626417 377063515 /nfs/dbraw/zinc/06/35/15/377063515.db2.gz UZAXIGAMZJJRFG-WFASDCNBSA-N 2 2 284.806 3.470 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000559899049 377105815 /nfs/dbraw/zinc/10/58/15/377105815.db2.gz FITQQNADCMOHNO-LSDHHAIUSA-N 2 2 250.430 3.195 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000559899049 377105821 /nfs/dbraw/zinc/10/58/21/377105821.db2.gz FITQQNADCMOHNO-LSDHHAIUSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266140 377136772 /nfs/dbraw/zinc/13/67/72/377136772.db2.gz GQGRSBFTDWLGLR-LBPRGKRZSA-N 2 2 275.421 3.002 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247658537 377231281 /nfs/dbraw/zinc/23/12/81/377231281.db2.gz PUKJTTMTQKJQIO-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247658537 377231284 /nfs/dbraw/zinc/23/12/84/377231284.db2.gz PUKJTTMTQKJQIO-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCC1 ZINC000561956460 377254364 /nfs/dbraw/zinc/25/43/64/377254364.db2.gz IPGABWGAQXPQQZ-UHFFFAOYSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000248030221 377258696 /nfs/dbraw/zinc/25/86/96/377258696.db2.gz QECSQAHEZQOFBQ-RDJZCZTQSA-N 2 2 290.476 3.091 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000248030221 377258703 /nfs/dbraw/zinc/25/87/03/377258703.db2.gz QECSQAHEZQOFBQ-RDJZCZTQSA-N 2 2 290.476 3.091 20 0 CGADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562280725 377290875 /nfs/dbraw/zinc/29/08/75/377290875.db2.gz OOHKDDOYXZGGMT-MRXNPFEDSA-N 2 2 297.402 3.092 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248406909 377309958 /nfs/dbraw/zinc/30/99/58/377309958.db2.gz CJRBLAOZVGFMDT-GJZGRUSLSA-N 2 2 263.429 3.111 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248406909 377309965 /nfs/dbraw/zinc/30/99/65/377309965.db2.gz CJRBLAOZVGFMDT-GJZGRUSLSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562794032 377363925 /nfs/dbraw/zinc/36/39/25/377363925.db2.gz RMEZVLPMDZOWKT-OAHLLOKOSA-N 2 2 298.434 3.115 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1scnc1C1CC1)C1CCCCC1 ZINC000562744706 377355316 /nfs/dbraw/zinc/35/53/16/377355316.db2.gz BVLNFQQUFGCENQ-CYBMUJFWSA-N 2 2 279.453 3.018 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC1(C)C ZINC000563360746 377449334 /nfs/dbraw/zinc/44/93/34/377449334.db2.gz FGCAKHVPKUTHIS-KGLIPLIRSA-N 2 2 261.413 3.134 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353268140 284634759 /nfs/dbraw/zinc/63/47/59/284634759.db2.gz FGFHYUDNNBWKHW-LBPRGKRZSA-N 2 2 262.388 3.132 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341304722 377500312 /nfs/dbraw/zinc/50/03/12/377500312.db2.gz IBLLMSOEHFRDOF-YJBOKZPZSA-N 2 2 287.451 3.214 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000163673570 542168157 /nfs/dbraw/zinc/16/81/57/542168157.db2.gz GNPLFDBWYJVBNP-INIZCTEOSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000313275028 249089502 /nfs/dbraw/zinc/08/95/02/249089502.db2.gz UZXJMTQKEPTKDQ-LLVKDONJSA-N 2 2 297.324 3.332 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313312882 249090746 /nfs/dbraw/zinc/09/07/46/249090746.db2.gz ZBAOFMMRCABRTC-QGZVFWFLSA-N 2 2 271.408 3.340 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)CC(F)(F)F)c[nH+]c12 ZINC000361745371 249115084 /nfs/dbraw/zinc/11/50/84/249115084.db2.gz SVUJKFONQJAVCV-SNVBAGLBSA-N 2 2 271.286 3.073 20 0 CGADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000469875830 249161819 /nfs/dbraw/zinc/16/18/19/249161819.db2.gz ZHDXLOGLCPNBKG-HOTGVXAUSA-N 2 2 260.425 3.382 20 0 CGADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000469875830 249161822 /nfs/dbraw/zinc/16/18/22/249161822.db2.gz ZHDXLOGLCPNBKG-HOTGVXAUSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039897 249131498 /nfs/dbraw/zinc/13/14/98/249131498.db2.gz GYAOCAWJYOSHDX-BMFZPTHFSA-N 2 2 297.402 3.086 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039897 249131501 /nfs/dbraw/zinc/13/15/01/249131501.db2.gz GYAOCAWJYOSHDX-BMFZPTHFSA-N 2 2 297.402 3.086 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)n1C ZINC000516664316 249240365 /nfs/dbraw/zinc/24/03/65/249240365.db2.gz MRXZFEFURBKAGY-SJKOYZFVSA-N 2 2 269.392 3.142 20 0 CGADLP Cc1ccc2oc(C[NH2+]Cc3c[nH+]ccc3N(C)C)cc2c1 ZINC000515357034 249208946 /nfs/dbraw/zinc/20/89/46/249208946.db2.gz RBXWSPXESQNWKK-UHFFFAOYSA-N 2 2 295.386 3.492 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251864594 377602555 /nfs/dbraw/zinc/60/25/55/377602555.db2.gz SUFYYLAQZVSWIV-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251864594 377602563 /nfs/dbraw/zinc/60/25/63/377602563.db2.gz SUFYYLAQZVSWIV-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000252368482 377619628 /nfs/dbraw/zinc/61/96/28/377619628.db2.gz QFHBEODFVGCBCB-KDOFPFPSSA-N 2 2 272.436 3.310 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000252368482 377619629 /nfs/dbraw/zinc/61/96/29/377619629.db2.gz QFHBEODFVGCBCB-KDOFPFPSSA-N 2 2 272.436 3.310 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N(C)CCCn1cc[nH+]c1 ZINC000574196532 377631794 /nfs/dbraw/zinc/63/17/94/377631794.db2.gz HEIBSTGLXVSULC-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000252644191 377645574 /nfs/dbraw/zinc/64/55/74/377645574.db2.gz NOCVVFDRPIJJER-JTDSTZFVSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000252644191 377645583 /nfs/dbraw/zinc/64/55/83/377645583.db2.gz NOCVVFDRPIJJER-JTDSTZFVSA-N 2 2 295.430 3.253 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342559446 377659580 /nfs/dbraw/zinc/65/95/80/377659580.db2.gz YQYAMCIHURKKKP-SFHVURJKSA-N 2 2 299.418 3.427 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342559446 377659588 /nfs/dbraw/zinc/65/95/88/377659588.db2.gz YQYAMCIHURKKKP-SFHVURJKSA-N 2 2 299.418 3.427 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574514158 377672422 /nfs/dbraw/zinc/67/24/22/377672422.db2.gz VYEOWMJGWLEZQG-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000574514158 377672427 /nfs/dbraw/zinc/67/24/27/377672427.db2.gz VYEOWMJGWLEZQG-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000574630402 377687537 /nfs/dbraw/zinc/68/75/37/377687537.db2.gz ZGTBOVWIRJNWFK-KRWDZBQOSA-N 2 2 272.392 3.347 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261574635 377821427 /nfs/dbraw/zinc/82/14/27/377821427.db2.gz MSYTTXRNIXHGKG-GAJTVXKRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC000261574635 377821431 /nfs/dbraw/zinc/82/14/31/377821431.db2.gz MSYTTXRNIXHGKG-GAJTVXKRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000261641454 377831468 /nfs/dbraw/zinc/83/14/68/377831468.db2.gz GJFHICWDDVCRTF-CECVADTLSA-N 2 2 278.399 3.127 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000261641454 377831477 /nfs/dbraw/zinc/83/14/77/377831477.db2.gz GJFHICWDDVCRTF-CECVADTLSA-N 2 2 278.399 3.127 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)C[C@H]1[NH3+] ZINC000261930183 377870011 /nfs/dbraw/zinc/87/00/11/377870011.db2.gz CSCSTVMZRDIVQT-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)C[C@H]1[NH3+] ZINC000261930183 377870015 /nfs/dbraw/zinc/87/00/15/377870015.db2.gz CSCSTVMZRDIVQT-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@@H]1[NH3+] ZINC000261985340 377876670 /nfs/dbraw/zinc/87/66/70/377876670.db2.gz JSEORVGQAIPCMP-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@@H]1[NH3+] ZINC000261985340 377876674 /nfs/dbraw/zinc/87/66/74/377876674.db2.gz JSEORVGQAIPCMP-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)s1 ZINC000261701576 377842875 /nfs/dbraw/zinc/84/28/75/377842875.db2.gz JQVDUMVBWWIUDS-DLBZAZTESA-N 2 2 286.444 3.292 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)s1 ZINC000261701576 377842881 /nfs/dbraw/zinc/84/28/81/377842881.db2.gz JQVDUMVBWWIUDS-DLBZAZTESA-N 2 2 286.444 3.292 20 0 CGADLP CCCCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321728 377952183 /nfs/dbraw/zinc/95/21/83/377952183.db2.gz FYUQBCXONLJOGR-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321728 377952184 /nfs/dbraw/zinc/95/21/84/377952184.db2.gz FYUQBCXONLJOGR-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343322486 377953261 /nfs/dbraw/zinc/95/32/61/377953261.db2.gz QNEMFSUTZRYOBC-MRXNPFEDSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343322486 377953265 /nfs/dbraw/zinc/95/32/65/377953265.db2.gz QNEMFSUTZRYOBC-MRXNPFEDSA-N 2 2 269.392 3.071 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000575811997 377992610 /nfs/dbraw/zinc/99/26/10/377992610.db2.gz HSXMZJITWQCEQM-DLBZAZTESA-N 2 2 292.467 3.060 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000575811997 377992618 /nfs/dbraw/zinc/99/26/18/377992618.db2.gz HSXMZJITWQCEQM-DLBZAZTESA-N 2 2 292.467 3.060 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000578079926 378036144 /nfs/dbraw/zinc/03/61/44/378036144.db2.gz HCYWSIQGVBKFHC-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000578079926 378036145 /nfs/dbraw/zinc/03/61/45/378036145.db2.gz HCYWSIQGVBKFHC-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(Cl)c1 ZINC000343610621 378039497 /nfs/dbraw/zinc/03/94/97/378039497.db2.gz YRWVVNWOQPANFF-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(Cl)c1 ZINC000343610621 378039502 /nfs/dbraw/zinc/03/95/02/378039502.db2.gz YRWVVNWOQPANFF-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603107 378084085 /nfs/dbraw/zinc/08/40/85/378084085.db2.gz JLHARPKGMVDUDV-ZWNOBZJWSA-N 2 2 298.352 3.023 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603107 378084090 /nfs/dbraw/zinc/08/40/90/378084090.db2.gz JLHARPKGMVDUDV-ZWNOBZJWSA-N 2 2 298.352 3.023 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[N@H+]1CC=CCC1 ZINC000578525508 378076760 /nfs/dbraw/zinc/07/67/60/378076760.db2.gz ARZQDGDGHIBIJW-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[N@@H+]1CC=CCC1 ZINC000578525508 378076770 /nfs/dbraw/zinc/07/67/70/378076770.db2.gz ARZQDGDGHIBIJW-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000577870815 378020111 /nfs/dbraw/zinc/02/01/11/378020111.db2.gz SPHOBNRLYGHAGU-HUUCEWRRSA-N 2 2 250.361 3.193 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343851486 378113944 /nfs/dbraw/zinc/11/39/44/378113944.db2.gz ZIAAMGAGYIEMNK-RKDXNWHRSA-N 2 2 295.374 3.153 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268819613 378120452 /nfs/dbraw/zinc/12/04/52/378120452.db2.gz NQRYONDTGNSRDH-NEPJUHHUSA-N 2 2 293.798 3.284 20 0 CGADLP C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1c[nH+]ccc1N ZINC000578994622 378120589 /nfs/dbraw/zinc/12/05/89/378120589.db2.gz AUYWYCZIJJFFPZ-NSHDSACASA-N 2 2 285.366 3.361 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344008853 378152489 /nfs/dbraw/zinc/15/24/89/378152489.db2.gz ZMUZTWQUDLATQU-UAGQMJEPSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344008853 378152493 /nfs/dbraw/zinc/15/24/93/378152493.db2.gz ZMUZTWQUDLATQU-UAGQMJEPSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000343816230 378102544 /nfs/dbraw/zinc/10/25/44/378102544.db2.gz WTRDOTCEZYJWPN-WMLDXEAASA-N 2 2 284.407 3.197 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)[nH+]c1 ZINC000579988739 378215432 /nfs/dbraw/zinc/21/54/32/378215432.db2.gz WCYPXHCUWBKDQE-INIZCTEOSA-N 2 2 293.414 3.298 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268999212 378170007 /nfs/dbraw/zinc/17/00/07/378170007.db2.gz IWGLKZLUXSFZEG-MBNYWOFBSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268999212 378170013 /nfs/dbraw/zinc/17/00/13/378170013.db2.gz IWGLKZLUXSFZEG-MBNYWOFBSA-N 2 2 264.438 3.190 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000581864167 378279602 /nfs/dbraw/zinc/27/96/02/378279602.db2.gz VLTFSEGJVHDIRA-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000581864167 378279607 /nfs/dbraw/zinc/27/96/07/378279607.db2.gz VLTFSEGJVHDIRA-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000582367883 378307364 /nfs/dbraw/zinc/30/73/64/378307364.db2.gz JTMCKGSLBONDTJ-GDBMZVCRSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000582367883 378307367 /nfs/dbraw/zinc/30/73/67/378307367.db2.gz JTMCKGSLBONDTJ-GDBMZVCRSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000583558758 378330817 /nfs/dbraw/zinc/33/08/17/378330817.db2.gz YNQCCWRHXCZPAG-GFCCVEGCSA-N 2 2 269.458 3.305 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000270834416 378404873 /nfs/dbraw/zinc/40/48/73/378404873.db2.gz MDMDQTKNPAVPHY-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000270834416 378404878 /nfs/dbraw/zinc/40/48/78/378404878.db2.gz MDMDQTKNPAVPHY-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@H+]1CCn1cc[nH+]c1C ZINC000270658637 378382342 /nfs/dbraw/zinc/38/23/42/378382342.db2.gz OFTAUGYYXYVPRM-AWEZNQCLSA-N 2 2 275.421 3.262 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@@H+]1CCn1cc[nH+]c1C ZINC000270658637 378382350 /nfs/dbraw/zinc/38/23/50/378382350.db2.gz OFTAUGYYXYVPRM-AWEZNQCLSA-N 2 2 275.421 3.262 20 0 CGADLP C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346133068 378473889 /nfs/dbraw/zinc/47/38/89/378473889.db2.gz MBWIXPYIZQUNLV-CYBMUJFWSA-N 2 2 298.415 3.312 20 0 CGADLP C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346133068 378473892 /nfs/dbraw/zinc/47/38/92/378473892.db2.gz MBWIXPYIZQUNLV-CYBMUJFWSA-N 2 2 298.415 3.312 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000346038524 378446405 /nfs/dbraw/zinc/44/64/05/378446405.db2.gz KMZJPGCYWGLQKV-GFCCVEGCSA-N 2 2 284.856 3.245 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000346038524 378446414 /nfs/dbraw/zinc/44/64/14/378446414.db2.gz KMZJPGCYWGLQKV-GFCCVEGCSA-N 2 2 284.856 3.245 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cscn1 ZINC000271115606 378454092 /nfs/dbraw/zinc/45/40/92/378454092.db2.gz IIXIESJNYHMYEG-NSHDSACASA-N 2 2 286.404 3.303 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346149314 378480850 /nfs/dbraw/zinc/48/08/50/378480850.db2.gz WSFDEFYPMHUVPK-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346149314 378480853 /nfs/dbraw/zinc/48/08/53/378480853.db2.gz WSFDEFYPMHUVPK-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC000346158340 378484868 /nfs/dbraw/zinc/48/48/68/378484868.db2.gz UHLGOAXGJYDXIB-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C ZINC000346158340 378484870 /nfs/dbraw/zinc/48/48/70/378484870.db2.gz UHLGOAXGJYDXIB-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346184501 378495227 /nfs/dbraw/zinc/49/52/27/378495227.db2.gz UHTMOSOGQSXMRL-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346184501 378495233 /nfs/dbraw/zinc/49/52/33/378495233.db2.gz UHTMOSOGQSXMRL-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP C[C@@H]1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346231658 378513490 /nfs/dbraw/zinc/51/34/90/378513490.db2.gz XSZNFFDOQCIMIV-VXGBXAGGSA-N 2 2 261.394 3.022 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000272199412 378583444 /nfs/dbraw/zinc/58/34/44/378583444.db2.gz SYSNHYQYVISFPL-UHFFFAOYSA-N 2 2 278.827 3.403 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000272014160 378545848 /nfs/dbraw/zinc/54/58/48/378545848.db2.gz KGODTQDZIKYPEM-UHFFFAOYSA-N 2 2 269.392 3.067 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000272014160 378545852 /nfs/dbraw/zinc/54/58/52/378545852.db2.gz KGODTQDZIKYPEM-UHFFFAOYSA-N 2 2 269.392 3.067 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC=CCC1 ZINC000346347695 378552789 /nfs/dbraw/zinc/55/27/89/378552789.db2.gz YLNAFYRKWGUMHO-AWEZNQCLSA-N 2 2 255.365 3.122 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC=CCC1 ZINC000346347695 378552797 /nfs/dbraw/zinc/55/27/97/378552797.db2.gz YLNAFYRKWGUMHO-AWEZNQCLSA-N 2 2 255.365 3.122 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000346580964 378631127 /nfs/dbraw/zinc/63/11/27/378631127.db2.gz ZRXNRMRNTSAJEC-AWEZNQCLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC[N@@H+]1C ZINC000346784448 378689057 /nfs/dbraw/zinc/68/90/57/378689057.db2.gz BMBXUPWIDNDUOA-YUELXQCFSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC[N@H+]1C ZINC000346784448 378689064 /nfs/dbraw/zinc/68/90/64/378689064.db2.gz BMBXUPWIDNDUOA-YUELXQCFSA-N 2 2 276.424 3.365 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000638116941 378705639 /nfs/dbraw/zinc/70/56/39/378705639.db2.gz MVMJLWWHZGORIY-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)c1 ZINC000638116941 378705644 /nfs/dbraw/zinc/70/56/44/378705644.db2.gz MVMJLWWHZGORIY-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(F)c1 ZINC000638116941 378705649 /nfs/dbraw/zinc/70/56/49/378705649.db2.gz MVMJLWWHZGORIY-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(F)c1 ZINC000638116941 378705654 /nfs/dbraw/zinc/70/56/54/378705654.db2.gz MVMJLWWHZGORIY-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118695 378707349 /nfs/dbraw/zinc/70/73/49/378707349.db2.gz XNBHNVRKNRFPBG-CQSZACIVSA-N 2 2 297.393 3.325 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118695 378707353 /nfs/dbraw/zinc/70/73/53/378707353.db2.gz XNBHNVRKNRFPBG-CQSZACIVSA-N 2 2 297.393 3.325 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118695 378707355 /nfs/dbraw/zinc/70/73/55/378707355.db2.gz XNBHNVRKNRFPBG-CQSZACIVSA-N 2 2 297.393 3.325 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(F)F)nc1 ZINC000638118695 378707358 /nfs/dbraw/zinc/70/73/58/378707358.db2.gz XNBHNVRKNRFPBG-CQSZACIVSA-N 2 2 297.393 3.325 20 0 CGADLP CO[C@@]1(C)C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1(C)C ZINC000348049714 378765913 /nfs/dbraw/zinc/76/59/13/378765913.db2.gz XWLFPUMGZRASLX-RDJZCZTQSA-N 2 2 276.424 3.116 20 0 CGADLP CC(C)[C@@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349554 378774927 /nfs/dbraw/zinc/77/49/27/378774927.db2.gz QBARLMOJBKBUKM-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP c1cn(CCCC[NH2+]C[C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000638404811 378792293 /nfs/dbraw/zinc/79/22/93/378792293.db2.gz MVJLGGNBBODUBB-INIZCTEOSA-N 2 2 283.419 3.058 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CC1(F)F ZINC000638441877 378804545 /nfs/dbraw/zinc/80/45/45/378804545.db2.gz KJMVPLQIXCHGKV-GHMZBOCLSA-N 2 2 279.334 3.129 20 0 CGADLP Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)cc[nH+]1 ZINC000274363634 378819622 /nfs/dbraw/zinc/81/96/22/378819622.db2.gz OCLQTRQTHTXSSH-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP CO[C@H](C[NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000638518499 378823061 /nfs/dbraw/zinc/82/30/61/378823061.db2.gz MFLKFXZYEUQOMS-MRXNPFEDSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000348183427 378827262 /nfs/dbraw/zinc/82/72/62/378827262.db2.gz BZMVTSCXZGJTSQ-RHSMWYFYSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000346834672 218031034 /nfs/dbraw/zinc/03/10/34/218031034.db2.gz SSBBXHLVTOAYFH-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000346834672 218031036 /nfs/dbraw/zinc/03/10/36/218031036.db2.gz SSBBXHLVTOAYFH-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)s1 ZINC000348261404 378870077 /nfs/dbraw/zinc/87/00/77/378870077.db2.gz LQWGCJVNZYBJCT-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C(C)(C)C)C2)s1 ZINC000348261404 378870080 /nfs/dbraw/zinc/87/00/80/378870080.db2.gz LQWGCJVNZYBJCT-LBPRGKRZSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348321521 378906783 /nfs/dbraw/zinc/90/67/83/378906783.db2.gz ZYPXSVACHBIEEC-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000348293452 378891010 /nfs/dbraw/zinc/89/10/10/378891010.db2.gz PDLLIVLGPUCXLS-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)C1 ZINC000348305138 378897814 /nfs/dbraw/zinc/89/78/14/378897814.db2.gz NNAIGOPKOPNDMN-UQOMUDLDSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)C1 ZINC000348305138 378897819 /nfs/dbraw/zinc/89/78/19/378897819.db2.gz NNAIGOPKOPNDMN-UQOMUDLDSA-N 2 2 280.362 3.065 20 0 CGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000347066378 218111088 /nfs/dbraw/zinc/11/10/88/218111088.db2.gz MEYAXORUOBAIQX-JTQLQIEISA-N 2 2 292.732 3.139 20 0 CGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000347066378 218111091 /nfs/dbraw/zinc/11/10/91/218111091.db2.gz MEYAXORUOBAIQX-JTQLQIEISA-N 2 2 292.732 3.139 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000370423821 379019128 /nfs/dbraw/zinc/01/91/28/379019128.db2.gz WAFOJTIYBGBBEZ-DOTOQJQBSA-N 2 2 296.418 3.349 20 0 CGADLP CCC(CC)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348812377 379064102 /nfs/dbraw/zinc/06/41/02/379064102.db2.gz DKNPZBCBAFJWFT-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC(CC)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348812377 379064109 /nfs/dbraw/zinc/06/41/09/379064109.db2.gz DKNPZBCBAFJWFT-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC(CC)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348812377 379064115 /nfs/dbraw/zinc/06/41/15/379064115.db2.gz DKNPZBCBAFJWFT-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC(CC)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348812377 379064120 /nfs/dbraw/zinc/06/41/20/379064120.db2.gz DKNPZBCBAFJWFT-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100476 379066571 /nfs/dbraw/zinc/06/65/71/379066571.db2.gz WPSVEUCZMKXQAG-DGCLKSJQSA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100476 379066575 /nfs/dbraw/zinc/06/65/75/379066575.db2.gz WPSVEUCZMKXQAG-DGCLKSJQSA-N 2 2 299.340 3.021 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c[nH+]1 ZINC000348898625 379104792 /nfs/dbraw/zinc/10/47/92/379104792.db2.gz YLKITVDBLISGQY-INIZCTEOSA-N 2 2 297.402 3.090 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135063 379166097 /nfs/dbraw/zinc/16/60/97/379166097.db2.gz YAYMZUISGRRTMV-RDJZCZTQSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135063 379166105 /nfs/dbraw/zinc/16/61/05/379166105.db2.gz YAYMZUISGRRTMV-RDJZCZTQSA-N 2 2 283.419 3.088 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000277368421 379142176 /nfs/dbraw/zinc/14/21/76/379142176.db2.gz XLFUTSYOBMIWGW-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000277368421 379142182 /nfs/dbraw/zinc/14/21/82/379142182.db2.gz XLFUTSYOBMIWGW-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP CC1(C)C([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000349150692 379171788 /nfs/dbraw/zinc/17/17/88/379171788.db2.gz MPQBWLNUKQNKHF-UHFFFAOYSA-N 2 2 292.389 3.427 20 0 CGADLP CC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000349355377 379245649 /nfs/dbraw/zinc/24/56/49/379245649.db2.gz VAAYHLMIGMAHOE-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP CC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000349355377 379245654 /nfs/dbraw/zinc/24/56/54/379245654.db2.gz VAAYHLMIGMAHOE-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349370272 379253916 /nfs/dbraw/zinc/25/39/16/379253916.db2.gz QTVBIMMOAVDXBG-UHFFFAOYSA-N 2 2 269.458 3.040 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C(C)C)s1 ZINC000349370272 379253918 /nfs/dbraw/zinc/25/39/18/379253918.db2.gz QTVBIMMOAVDXBG-UHFFFAOYSA-N 2 2 269.458 3.040 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccsc1Cl ZINC000349404684 379267348 /nfs/dbraw/zinc/26/73/48/379267348.db2.gz GOGLSLVLNMLMRV-UHFFFAOYSA-N 2 2 283.828 3.429 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccsc1Cl ZINC000349404684 379267360 /nfs/dbraw/zinc/26/73/60/379267360.db2.gz GOGLSLVLNMLMRV-UHFFFAOYSA-N 2 2 283.828 3.429 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000278261900 379329859 /nfs/dbraw/zinc/32/98/59/379329859.db2.gz NTLNXBXCRBEXLL-DLBZAZTESA-N 2 2 269.392 3.357 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000278296901 379338234 /nfs/dbraw/zinc/33/82/34/379338234.db2.gz CFPXXMFVELLFGB-RDJZCZTQSA-N 2 2 292.492 3.194 20 0 CGADLP C[NH+](C)C1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000347604584 218287527 /nfs/dbraw/zinc/28/75/27/218287527.db2.gz DMYRDIOEUBGWJC-ARJAWSKDSA-N 2 2 280.362 3.004 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266917026 190290464 /nfs/dbraw/zinc/29/04/64/190290464.db2.gz KUZRDKYHEKGDSF-QWHCGFSZSA-N 2 2 273.355 3.489 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376769989 379600772 /nfs/dbraw/zinc/60/07/72/379600772.db2.gz XJLDTDWXNUEMPU-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000350937490 379616626 /nfs/dbraw/zinc/61/66/26/379616626.db2.gz HCDMDZBRCOSCCQ-HUUCEWRRSA-N 2 2 261.413 3.300 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377722620 379729967 /nfs/dbraw/zinc/72/99/67/379729967.db2.gz MGTAQSSKCOUTQZ-LBPRGKRZSA-N 2 2 295.386 3.365 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377722620 379729971 /nfs/dbraw/zinc/72/99/71/379729971.db2.gz MGTAQSSKCOUTQZ-LBPRGKRZSA-N 2 2 295.386 3.365 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)c(C)c1)CCC2 ZINC000377830264 379748118 /nfs/dbraw/zinc/74/81/18/379748118.db2.gz CDYWTXNRHOTAHQ-HNNXBMFYSA-N 2 2 287.382 3.306 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000347730236 218337317 /nfs/dbraw/zinc/33/73/17/218337317.db2.gz GVVMIEUABKLCMY-UHFFFAOYSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](CC1CC1)C1CCCCC1 ZINC000347730236 218337320 /nfs/dbraw/zinc/33/73/20/218337320.db2.gz GVVMIEUABKLCMY-UHFFFAOYSA-N 2 2 261.413 3.007 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]1 ZINC000267467567 190332611 /nfs/dbraw/zinc/33/26/11/190332611.db2.gz WUIZNJVDSGTIIK-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000280658756 379758621 /nfs/dbraw/zinc/75/86/21/379758621.db2.gz OXFBXZYCZNCSFB-ZFZWDLNGSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@H+]1C1CC1 ZINC000280658756 379758624 /nfs/dbraw/zinc/75/86/24/379758624.db2.gz OXFBXZYCZNCSFB-ZFZWDLNGSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280850462 379807837 /nfs/dbraw/zinc/80/78/37/379807837.db2.gz BMGGJFCYSGWOOL-PBHICJAKSA-N 2 2 299.418 3.074 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378054083 379769143 /nfs/dbraw/zinc/76/91/43/379769143.db2.gz FROSTSKPSITRQU-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000352495097 379835575 /nfs/dbraw/zinc/83/55/75/379835575.db2.gz IOECCCWIKREULH-AWEZNQCLSA-N 2 2 281.469 3.189 20 0 CGADLP CCCCc1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000352495097 379835578 /nfs/dbraw/zinc/83/55/78/379835578.db2.gz IOECCCWIKREULH-AWEZNQCLSA-N 2 2 281.469 3.189 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000267530570 190336203 /nfs/dbraw/zinc/33/62/03/190336203.db2.gz RVUOMBKWQHZICH-YJBOKZPZSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000267530570 190336204 /nfs/dbraw/zinc/33/62/04/190336204.db2.gz RVUOMBKWQHZICH-YJBOKZPZSA-N 2 2 284.403 3.422 20 0 CGADLP CCCCC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378385269 379816889 /nfs/dbraw/zinc/81/68/89/379816889.db2.gz QNYJWRNFQKPTMP-UHFFFAOYSA-N 2 2 275.440 3.168 20 0 CGADLP CCCCC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378385269 379816894 /nfs/dbraw/zinc/81/68/94/379816894.db2.gz QNYJWRNFQKPTMP-UHFFFAOYSA-N 2 2 275.440 3.168 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000393646548 379915210 /nfs/dbraw/zinc/91/52/10/379915210.db2.gz QHPXBNLSLXRVIL-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000393646548 379915216 /nfs/dbraw/zinc/91/52/16/379915216.db2.gz QHPXBNLSLXRVIL-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)=CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218985 379875837 /nfs/dbraw/zinc/87/58/37/379875837.db2.gz YMKQGCOJNPUUJF-OAHLLOKOSA-N 2 2 273.424 3.365 20 0 CGADLP CC(C)=CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282218985 379875842 /nfs/dbraw/zinc/87/58/42/379875842.db2.gz YMKQGCOJNPUUJF-OAHLLOKOSA-N 2 2 273.424 3.365 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000282221444 379876008 /nfs/dbraw/zinc/87/60/08/379876008.db2.gz OXVBLWUAWZFDSS-VYDXJSESSA-N 2 2 273.424 3.442 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000387771311 379878537 /nfs/dbraw/zinc/87/85/37/379878537.db2.gz ZGZXIFFJYJCZSN-SFHVURJKSA-N 2 2 299.418 3.413 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(CC)nc2)C1 ZINC000347821236 218367448 /nfs/dbraw/zinc/36/74/48/218367448.db2.gz RZXYFHNBULOAIQ-KRWDZBQOSA-N 2 2 298.434 3.240 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(CC)nc2)C1 ZINC000347821236 218367449 /nfs/dbraw/zinc/36/74/49/218367449.db2.gz RZXYFHNBULOAIQ-KRWDZBQOSA-N 2 2 298.434 3.240 20 0 CGADLP CSc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000352809014 379974081 /nfs/dbraw/zinc/97/40/81/379974081.db2.gz FFGGFNZCIAKEFZ-QWRGUYRKSA-N 2 2 270.467 3.042 20 0 CGADLP CSc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000352809014 379974084 /nfs/dbraw/zinc/97/40/84/379974084.db2.gz FFGGFNZCIAKEFZ-QWRGUYRKSA-N 2 2 270.467 3.042 20 0 CGADLP Cc1scc(C[NH2+]CCc2cc[nH+]cc2C)c1C ZINC000399837308 379944956 /nfs/dbraw/zinc/94/49/56/379944956.db2.gz RHVFNVGLBKAZDV-UHFFFAOYSA-N 2 2 260.406 3.401 20 0 CGADLP CC(C)(C)OC1CC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000352786651 379960613 /nfs/dbraw/zinc/96/06/13/379960613.db2.gz AAJOELSPXPYCGQ-UHFFFAOYSA-N 2 2 299.418 3.308 20 0 CGADLP C[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000347917810 218399221 /nfs/dbraw/zinc/39/92/21/218399221.db2.gz HGAXRDNCKQVMJS-LBPRGKRZSA-N 2 2 297.324 3.295 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977829 380062854 /nfs/dbraw/zinc/06/28/54/380062854.db2.gz HWZJIVWGYPGTQK-DZGCQCFKSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977829 380062862 /nfs/dbraw/zinc/06/28/62/380062862.db2.gz HWZJIVWGYPGTQK-DZGCQCFKSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977829 380062867 /nfs/dbraw/zinc/06/28/67/380062867.db2.gz HWZJIVWGYPGTQK-DZGCQCFKSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000352977829 380062876 /nfs/dbraw/zinc/06/28/76/380062876.db2.gz HWZJIVWGYPGTQK-DZGCQCFKSA-N 2 2 298.352 3.231 20 0 CGADLP CC1(C)CCC(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000353116227 380122027 /nfs/dbraw/zinc/12/20/27/380122027.db2.gz GAOVNPWMGZBFDF-UHFFFAOYSA-N 2 2 298.434 3.377 20 0 CGADLP Clc1cccc2c(N3CC[C@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643031620 380206049 /nfs/dbraw/zinc/20/60/49/380206049.db2.gz TYMFQQDEGHTXFT-BXUZGUMPSA-N 2 2 287.794 3.076 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000353250077 380188314 /nfs/dbraw/zinc/18/83/14/380188314.db2.gz OGZACTJPTBERFI-QGZVFWFLSA-N 2 2 299.418 3.294 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000353250264 380189421 /nfs/dbraw/zinc/18/94/21/380189421.db2.gz BYRWINRZMCJKDX-WMLDXEAASA-N 2 2 290.451 3.033 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000353250264 380189426 /nfs/dbraw/zinc/18/94/26/380189426.db2.gz BYRWINRZMCJKDX-WMLDXEAASA-N 2 2 290.451 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353935200 380244533 /nfs/dbraw/zinc/24/45/33/380244533.db2.gz ZIBUAXHRFQDGLG-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353935200 380244537 /nfs/dbraw/zinc/24/45/37/380244537.db2.gz ZIBUAXHRFQDGLG-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)N(C)c2ccccc2)c[nH+]1 ZINC000353913480 380231725 /nfs/dbraw/zinc/23/17/25/380231725.db2.gz IWDOATKXUILRTE-KRWDZBQOSA-N 2 2 297.446 3.437 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cn1 ZINC000354086432 380316794 /nfs/dbraw/zinc/31/67/94/380316794.db2.gz PSACYEQHGUWMID-KRWDZBQOSA-N 2 2 293.430 3.380 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CCC2)o1 ZINC000643501483 380322456 /nfs/dbraw/zinc/32/24/56/380322456.db2.gz IUEOQWCXWNIWFD-GDBMZVCRSA-N 2 2 262.397 3.161 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccsc2S1 ZINC000643501323 380322821 /nfs/dbraw/zinc/32/28/21/380322821.db2.gz CVXLVFIBARAXIP-DMDPSCGWSA-N 2 2 282.478 3.405 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643501092 380322865 /nfs/dbraw/zinc/32/28/65/380322865.db2.gz SWDSIEDQAPESLE-CZUORRHYSA-N 2 2 258.409 3.141 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502149 380324638 /nfs/dbraw/zinc/32/46/38/380324638.db2.gz YHOOVJPHIGDGGY-WCQYABFASA-N 2 2 281.469 3.368 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000643505985 380326750 /nfs/dbraw/zinc/32/67/50/380326750.db2.gz GQZXFBZIVPRWKB-AWEZNQCLSA-N 2 2 252.789 3.133 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000643506390 380327894 /nfs/dbraw/zinc/32/78/94/380327894.db2.gz UWDNKVLSYOZTIQ-JTQLQIEISA-N 2 2 258.818 3.194 20 0 CGADLP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507665 380330320 /nfs/dbraw/zinc/33/03/20/380330320.db2.gz MDOQWURJLYKJBQ-GOEBONIOSA-N 2 2 278.827 3.318 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)o1 ZINC000643507279 380330602 /nfs/dbraw/zinc/33/06/02/380330602.db2.gz XYVLPMBWFKXUNB-MRXNPFEDSA-N 2 2 262.397 3.161 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000643508832 380332287 /nfs/dbraw/zinc/33/22/87/380332287.db2.gz GPPHNXSXAQMNEM-CXAGYDPISA-N 2 2 269.392 3.049 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414503038 380279146 /nfs/dbraw/zinc/27/91/46/380279146.db2.gz VJVLFCFSTXUHNA-UHFFFAOYSA-N 2 2 298.434 3.130 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2[nH]1 ZINC000354034845 380289734 /nfs/dbraw/zinc/28/97/34/380289734.db2.gz UBCRMIWOUHBPPL-KRWDZBQOSA-N 2 2 293.370 3.216 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c2[nH]1 ZINC000354034845 380289737 /nfs/dbraw/zinc/28/97/37/380289737.db2.gz UBCRMIWOUHBPPL-KRWDZBQOSA-N 2 2 293.370 3.216 20 0 CGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000643459871 380311627 /nfs/dbraw/zinc/31/16/27/380311627.db2.gz VDXHBDHPYZFADG-RHSMWYFYSA-N 2 2 297.402 3.104 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)COC(C)C ZINC000414549616 380312845 /nfs/dbraw/zinc/31/28/45/380312845.db2.gz LUTSHQBGDKNSFI-UHFFFAOYSA-N 2 2 264.413 3.116 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354083956 380313185 /nfs/dbraw/zinc/31/31/85/380313185.db2.gz PGJRFDNYLBCHRO-HNNXBMFYSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354083956 380313194 /nfs/dbraw/zinc/31/31/94/380313194.db2.gz PGJRFDNYLBCHRO-HNNXBMFYSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000354083956 380313200 /nfs/dbraw/zinc/31/32/00/380313200.db2.gz PGJRFDNYLBCHRO-HNNXBMFYSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354083956 380313203 /nfs/dbraw/zinc/31/32/03/380313203.db2.gz PGJRFDNYLBCHRO-HNNXBMFYSA-N 2 2 276.424 3.006 20 0 CGADLP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1ccccc1 ZINC000414710073 380382837 /nfs/dbraw/zinc/38/28/37/380382837.db2.gz RVCNJUFAYLIBPA-NVXWUHKLSA-N 2 2 278.440 3.069 20 0 CGADLP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1ccccc1 ZINC000414710073 380382843 /nfs/dbraw/zinc/38/28/43/380382843.db2.gz RVCNJUFAYLIBPA-NVXWUHKLSA-N 2 2 278.440 3.069 20 0 CGADLP Cc1cccc([C@H]2CC[N@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000414739986 380390741 /nfs/dbraw/zinc/39/07/41/380390741.db2.gz CSBWYIZFSUYFDQ-INIZCTEOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1cccc([C@H]2CC[N@@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000414739986 380390744 /nfs/dbraw/zinc/39/07/44/380390744.db2.gz CSBWYIZFSUYFDQ-INIZCTEOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOC2CCCCC2)c[nH+]1 ZINC000354133329 380340641 /nfs/dbraw/zinc/34/06/41/380340641.db2.gz DAAMSYDCTPQIAX-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000643528838 380345175 /nfs/dbraw/zinc/34/51/75/380345175.db2.gz QBDQYZJXHOUQEE-PHDIDXHHSA-N 2 2 253.198 3.053 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414763670 380394823 /nfs/dbraw/zinc/39/48/23/380394823.db2.gz CWTXOPZUWOXOAP-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414763670 380394828 /nfs/dbraw/zinc/39/48/28/380394828.db2.gz CWTXOPZUWOXOAP-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000643537628 380353494 /nfs/dbraw/zinc/35/34/94/380353494.db2.gz NDHWJLHECFPMOL-QEJZJMRPSA-N 2 2 288.366 3.297 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000414659955 380357197 /nfs/dbraw/zinc/35/71/97/380357197.db2.gz NSNIDXQDFJVZSK-KGLIPLIRSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F ZINC000414659955 380357199 /nfs/dbraw/zinc/35/71/99/380357199.db2.gz NSNIDXQDFJVZSK-KGLIPLIRSA-N 2 2 298.352 3.340 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@H](C[NH3+])C1 ZINC000414764360 380395425 /nfs/dbraw/zinc/39/54/25/380395425.db2.gz DEMYSMGVLDDCKS-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@H](C[NH3+])C1 ZINC000414764360 380395429 /nfs/dbraw/zinc/39/54/29/380395429.db2.gz DEMYSMGVLDDCKS-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP CCc1noc(CC)c1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354409884 380428328 /nfs/dbraw/zinc/42/83/28/380428328.db2.gz LVOQPXDMQZTUDM-UHFFFAOYSA-N 2 2 287.407 3.225 20 0 CGADLP C[NH2+]CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414857278 380457239 /nfs/dbraw/zinc/45/72/39/380457239.db2.gz CJRPNZWOENBMQK-UHFFFAOYSA-N 2 2 280.721 3.058 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000414827985 380438727 /nfs/dbraw/zinc/43/87/27/380438727.db2.gz ICHAEBAFFMOHCG-BFHYXJOUSA-N 2 2 286.341 3.397 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000414833799 380442429 /nfs/dbraw/zinc/44/24/29/380442429.db2.gz QGPHWSGNPNVCCT-CXAGYDPISA-N 2 2 272.367 3.219 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414839334 380446065 /nfs/dbraw/zinc/44/60/65/380446065.db2.gz WADVXSUBVSRCFQ-KXBFYZLASA-N 2 2 298.430 3.306 20 0 CGADLP CC(C)c1cnc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414845064 380449934 /nfs/dbraw/zinc/44/99/34/380449934.db2.gz QLRHSFBLMVZPAV-UHFFFAOYSA-N 2 2 267.442 3.018 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CCCO)c2ccccc2)c[nH+]1 ZINC000354474387 380452931 /nfs/dbraw/zinc/45/29/31/380452931.db2.gz ZYCVQDSVFHURCC-LJQANCHMSA-N 2 2 298.430 3.426 20 0 CGADLP c1sc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1-c1ccccc1 ZINC000414783079 380402580 /nfs/dbraw/zinc/40/25/80/380402580.db2.gz FZQNYPCGEYGKDT-PBHICJAKSA-N 2 2 284.428 3.209 20 0 CGADLP c1sc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1-c1ccccc1 ZINC000414783079 380402591 /nfs/dbraw/zinc/40/25/91/380402591.db2.gz FZQNYPCGEYGKDT-PBHICJAKSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1ccn2cc(C[NH2+]CCCc3ccc(C)[nH+]c3)nc2c1 ZINC000354335555 380405058 /nfs/dbraw/zinc/40/50/58/380405058.db2.gz SLORGBHOFZSTIT-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000414794295 380409049 /nfs/dbraw/zinc/40/90/49/380409049.db2.gz LTOGNLBQUWTVEZ-OAHLLOKOSA-N 2 2 289.448 3.191 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OC(C)C ZINC000414800723 380413300 /nfs/dbraw/zinc/41/33/00/380413300.db2.gz IJXYCSRHPXAOKL-UHFFFAOYSA-N 2 2 264.413 3.081 20 0 CGADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414937561 380497297 /nfs/dbraw/zinc/49/72/97/380497297.db2.gz HUCLXXVHMNCLMR-KWQFWETISA-N 2 2 291.197 3.220 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(C[NH+](C)C)CCCC2)c[nH+]1 ZINC000354622754 380505237 /nfs/dbraw/zinc/50/52/37/380505237.db2.gz BIZRTUFMJBYPIT-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP CN(C)c1[nH+]cccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000354656983 380516932 /nfs/dbraw/zinc/51/69/32/380516932.db2.gz IIDMLSULOQOPMX-UHFFFAOYSA-N 2 2 296.349 3.447 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OC(F)F)CCCCCC1 ZINC000414858062 380459301 /nfs/dbraw/zinc/45/93/01/380459301.db2.gz HQFVGCKYKLFYIO-UHFFFAOYSA-N 2 2 298.377 3.429 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCCCCC1 ZINC000414862663 380463201 /nfs/dbraw/zinc/46/32/01/380463201.db2.gz WBJCAWHVKMTDTB-UHFFFAOYSA-N 2 2 298.434 3.014 20 0 CGADLP Cc1cccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)[nH+]1 ZINC000354850425 380559291 /nfs/dbraw/zinc/55/92/91/380559291.db2.gz MDKVGXHGVKRYIC-UHFFFAOYSA-N 2 2 290.370 3.138 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSCC[C@H]2C)c[nH+]1 ZINC000355132039 380590647 /nfs/dbraw/zinc/59/06/47/380590647.db2.gz LROSTNVLMICGIO-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSCC[C@H]2C)c[nH+]1 ZINC000355132039 380590650 /nfs/dbraw/zinc/59/06/50/380590650.db2.gz LROSTNVLMICGIO-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP CC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000355132505 380591481 /nfs/dbraw/zinc/59/14/81/380591481.db2.gz MHGQFLOASWSGSG-UHFFFAOYSA-N 2 2 261.394 3.214 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353947 380606197 /nfs/dbraw/zinc/60/61/97/380606197.db2.gz KQJQKFGLPJGQHZ-NSHDSACASA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H](F)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197373 380612524 /nfs/dbraw/zinc/61/25/24/380612524.db2.gz QEFHURBQZGCBLW-GDBMZVCRSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@@H](F)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197373 380612533 /nfs/dbraw/zinc/61/25/33/380612533.db2.gz QEFHURBQZGCBLW-GDBMZVCRSA-N 2 2 278.415 3.377 20 0 CGADLP Cc1cscc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000355182360 380613127 /nfs/dbraw/zinc/61/31/27/380613127.db2.gz URYIQUUACKVNDT-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393714 380667874 /nfs/dbraw/zinc/66/78/74/380667874.db2.gz ZUJFMSWYXPZOAP-SUMWQHHRSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393714 380667879 /nfs/dbraw/zinc/66/78/79/380667879.db2.gz ZUJFMSWYXPZOAP-SUMWQHHRSA-N 2 2 258.409 3.309 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000356172587 380792008 /nfs/dbraw/zinc/79/20/08/380792008.db2.gz WDLOEKCKBWJPOU-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000356172587 380792014 /nfs/dbraw/zinc/79/20/14/380792014.db2.gz WDLOEKCKBWJPOU-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1cccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)c1 ZINC000646021917 380803144 /nfs/dbraw/zinc/80/31/44/380803144.db2.gz LCJVVIOJXWXBKP-UHFFFAOYSA-N 2 2 269.392 3.251 20 0 CGADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@H](CC)O1 ZINC000421384831 380930686 /nfs/dbraw/zinc/93/06/86/380930686.db2.gz FPVVGKBNNMNFFZ-CALCHBBNSA-N 2 2 276.424 3.212 20 0 CGADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@H](CC)O1 ZINC000421384831 380930688 /nfs/dbraw/zinc/93/06/88/380930688.db2.gz FPVVGKBNNMNFFZ-CALCHBBNSA-N 2 2 276.424 3.212 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C3CCCC3)C2)s1 ZINC000421382099 380922491 /nfs/dbraw/zinc/92/24/91/380922491.db2.gz BHWHFULJPYBGHQ-AWEZNQCLSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C3CCCC3)C2)s1 ZINC000421382099 380922510 /nfs/dbraw/zinc/92/25/10/380922510.db2.gz BHWHFULJPYBGHQ-AWEZNQCLSA-N 2 2 293.480 3.217 20 0 CGADLP Clc1ccc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000357581032 381217163 /nfs/dbraw/zinc/21/71/63/381217163.db2.gz LYMNDRJZBWGXEC-UHFFFAOYSA-N 2 2 284.750 3.105 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358135467 381291884 /nfs/dbraw/zinc/29/18/84/381291884.db2.gz RQLSLYAJNUQEKU-MMQJMDILSA-N 2 2 270.420 3.450 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000358135467 381291892 /nfs/dbraw/zinc/29/18/92/381291892.db2.gz RQLSLYAJNUQEKU-MMQJMDILSA-N 2 2 270.420 3.450 20 0 CGADLP Cc1cn2c([nH+]1)CN(c1c(C)c(C)[nH+]c3ccccc31)CC2 ZINC000360322983 381517091 /nfs/dbraw/zinc/51/70/91/381517091.db2.gz MJUGHAHTYZZSNT-UHFFFAOYSA-N 2 2 292.386 3.377 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587829 381584462 /nfs/dbraw/zinc/58/44/62/381584462.db2.gz DICSODFUBHBVGC-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587829 381584467 /nfs/dbraw/zinc/58/44/67/381584467.db2.gz DICSODFUBHBVGC-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000361345258 381709834 /nfs/dbraw/zinc/70/98/34/381709834.db2.gz IHJAVAQEPVSACU-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000361345258 381709841 /nfs/dbraw/zinc/70/98/41/381709841.db2.gz IHJAVAQEPVSACU-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP COCC[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361291293 381680097 /nfs/dbraw/zinc/68/00/97/381680097.db2.gz WVHCIMOLNWIZES-UHFFFAOYSA-N 2 2 289.423 3.093 20 0 CGADLP COCC[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361291293 381680108 /nfs/dbraw/zinc/68/01/08/381680108.db2.gz WVHCIMOLNWIZES-UHFFFAOYSA-N 2 2 289.423 3.093 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000740878255 572465267 /nfs/dbraw/zinc/46/52/67/572465267.db2.gz ZRUCLTNNOYEMJD-MRXNPFEDSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000740878255 572465271 /nfs/dbraw/zinc/46/52/71/572465271.db2.gz ZRUCLTNNOYEMJD-MRXNPFEDSA-N 2 2 282.472 3.188 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)nc1 ZINC000362310657 381938559 /nfs/dbraw/zinc/93/85/59/381938559.db2.gz UKLOMSZAAPCTTH-UHFFFAOYSA-N 2 2 299.462 3.216 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000362922619 382149363 /nfs/dbraw/zinc/14/93/63/382149363.db2.gz FHSIGMJLLNLJNO-GOSISDBHSA-N 2 2 286.463 3.472 20 0 CGADLP c1c(CC[NH2+][C@H]2CCC23CCCC3)[nH+]c2n1CCCC2 ZINC000365056465 382280268 /nfs/dbraw/zinc/28/02/68/382280268.db2.gz UBSQKJJUSMORMU-HNNXBMFYSA-N 2 2 273.424 3.074 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CS1 ZINC000365178966 382283455 /nfs/dbraw/zinc/28/34/55/382283455.db2.gz VGHOZISJTWECCP-YCPHGPKFSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CS1 ZINC000365178966 382283460 /nfs/dbraw/zinc/28/34/60/382283460.db2.gz VGHOZISJTWECCP-YCPHGPKFSA-N 2 2 282.497 3.123 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000366844294 382319893 /nfs/dbraw/zinc/31/98/93/382319893.db2.gz IOWBYUSGZSVIKH-INIZCTEOSA-N 2 2 291.439 3.186 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000366844294 382319899 /nfs/dbraw/zinc/31/98/99/382319899.db2.gz IOWBYUSGZSVIKH-INIZCTEOSA-N 2 2 291.439 3.186 20 0 CGADLP CCC(CC)(CC)C[NH2+]CCCCn1cc[nH+]c1 ZINC000395234093 572476099 /nfs/dbraw/zinc/47/60/99/572476099.db2.gz QWIIXYILDQZHJX-UHFFFAOYSA-N 2 2 251.418 3.469 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000252419024 542349660 /nfs/dbraw/zinc/34/96/60/542349660.db2.gz XTYJCRBIIPQGFJ-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000252419024 542349662 /nfs/dbraw/zinc/34/96/62/542349662.db2.gz XTYJCRBIIPQGFJ-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])on2)cc1 ZINC000261953426 542355807 /nfs/dbraw/zinc/35/58/07/542355807.db2.gz NLFAZHAIUBEBBA-KDOFPFPSSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])on2)cc1 ZINC000261953426 542355810 /nfs/dbraw/zinc/35/58/10/542355810.db2.gz NLFAZHAIUBEBBA-KDOFPFPSSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423462609 532974469 /nfs/dbraw/zinc/97/44/69/532974469.db2.gz KVNKXUIZRHAUBU-MXWKQRLJSA-N 2 2 293.411 3.336 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000280891864 195017595 /nfs/dbraw/zinc/01/75/95/195017595.db2.gz DFJITHHGVKBVML-OLZOCXBDSA-N 2 2 281.363 3.007 20 0 CGADLP [NH3+]CC1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000335241748 208008669 /nfs/dbraw/zinc/00/86/69/208008669.db2.gz PNCVNUSRLDHNPA-XUJLQICISA-N 2 2 274.408 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000289339300 197303618 /nfs/dbraw/zinc/30/36/18/197303618.db2.gz VXOFSICSVVGSEK-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000289339300 197303620 /nfs/dbraw/zinc/30/36/20/197303620.db2.gz VXOFSICSVVGSEK-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)CCC[N@@H+]1C ZINC000350396969 219015010 /nfs/dbraw/zinc/01/50/10/219015010.db2.gz YAWSILWJPPXNHB-OXUOGIBSSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)CCC[N@H+]1C ZINC000350396969 219015012 /nfs/dbraw/zinc/01/50/12/219015012.db2.gz YAWSILWJPPXNHB-OXUOGIBSSA-N 2 2 280.362 3.050 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184341 291906950 /nfs/dbraw/zinc/90/69/50/291906950.db2.gz IJKNWRWXJCDAKD-HIFRSBDPSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288329656 197052587 /nfs/dbraw/zinc/05/25/87/197052587.db2.gz AORJJZNWLHBGHS-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288329656 197052589 /nfs/dbraw/zinc/05/25/89/197052589.db2.gz AORJJZNWLHBGHS-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000128120462 285236639 /nfs/dbraw/zinc/23/66/39/285236639.db2.gz KRBQTAKUGURZOU-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328401215 542443676 /nfs/dbraw/zinc/44/36/76/542443676.db2.gz ZWTLONRVMWZUAN-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000328401215 542443679 /nfs/dbraw/zinc/44/36/79/542443679.db2.gz ZWTLONRVMWZUAN-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328335270 542444324 /nfs/dbraw/zinc/44/43/24/542444324.db2.gz IZMGVWZHOJGYQT-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328335270 542444328 /nfs/dbraw/zinc/44/43/28/542444328.db2.gz IZMGVWZHOJGYQT-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436277079 533206215 /nfs/dbraw/zinc/20/62/15/533206215.db2.gz WDCUCNBPAMHKJA-QGZVFWFLSA-N 2 2 296.499 3.295 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436277079 533206220 /nfs/dbraw/zinc/20/62/20/533206220.db2.gz WDCUCNBPAMHKJA-QGZVFWFLSA-N 2 2 296.499 3.295 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)n1 ZINC000339076990 542485738 /nfs/dbraw/zinc/48/57/38/542485738.db2.gz XBXHNRIOTNTWLE-SOUVJXGZSA-N 2 2 291.464 3.119 20 0 CGADLP Cc1csc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)n1 ZINC000339076990 542485742 /nfs/dbraw/zinc/48/57/42/542485742.db2.gz XBXHNRIOTNTWLE-SOUVJXGZSA-N 2 2 291.464 3.119 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000348101922 542515353 /nfs/dbraw/zinc/51/53/53/542515353.db2.gz JLUCAHXBCLNFIF-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC[NH+](CC)C[C@H](C)N[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353512520 542558421 /nfs/dbraw/zinc/55/84/21/542558421.db2.gz DKPNWWWLJJIWIO-GOEBONIOSA-N 2 2 292.471 3.351 20 0 CGADLP COCC[C@H]([NH2+]Cc1c[nH+]cn1C(C)C)c1ccc(C)o1 ZINC000424175112 533312777 /nfs/dbraw/zinc/31/27/77/533312777.db2.gz NFFXTJFAKYNERX-HNNXBMFYSA-N 2 2 291.395 3.233 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414076674 533454739 /nfs/dbraw/zinc/45/47/39/533454739.db2.gz YNAXKCNTWWGTSX-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423367799 533402583 /nfs/dbraw/zinc/40/25/83/533402583.db2.gz RLTUZQOHPKEDEO-VXGBXAGGSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423283368 533510116 /nfs/dbraw/zinc/51/01/16/533510116.db2.gz VVKKLLJACQPBCE-MUWHJKNJSA-N 2 2 279.236 3.443 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423568544 533540888 /nfs/dbraw/zinc/54/08/88/533540888.db2.gz VNCMEDOTSLXPDB-ZJUUUORDSA-N 2 2 258.818 3.194 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000449037873 533628694 /nfs/dbraw/zinc/62/86/94/533628694.db2.gz PTSOOWSJQFTNNS-HNNXBMFYSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000449037873 533628698 /nfs/dbraw/zinc/62/86/98/533628698.db2.gz PTSOOWSJQFTNNS-HNNXBMFYSA-N 2 2 274.389 3.105 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389314615 542608748 /nfs/dbraw/zinc/60/87/48/542608748.db2.gz GKYFWWMCRHGDNK-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389314615 542608749 /nfs/dbraw/zinc/60/87/49/542608749.db2.gz GKYFWWMCRHGDNK-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840470 130315161 /nfs/dbraw/zinc/31/51/61/130315161.db2.gz OSCRVPJTNVHSFQ-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840470 130315163 /nfs/dbraw/zinc/31/51/63/130315163.db2.gz OSCRVPJTNVHSFQ-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350691 542637565 /nfs/dbraw/zinc/63/75/65/542637565.db2.gz UPYKUMCKBWHQNY-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350691 542637566 /nfs/dbraw/zinc/63/75/66/542637566.db2.gz UPYKUMCKBWHQNY-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000361861780 392346729 /nfs/dbraw/zinc/34/67/29/392346729.db2.gz HEAOFPPTMRQZQD-INIZCTEOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](C)(F)C1 ZINC000361861780 392346734 /nfs/dbraw/zinc/34/67/34/392346734.db2.gz HEAOFPPTMRQZQD-INIZCTEOSA-N 2 2 273.355 3.115 20 0 CGADLP CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361866425 392348995 /nfs/dbraw/zinc/34/89/95/392348995.db2.gz AICFXEDPJSXPGE-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@@]1(C)COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361866425 392348999 /nfs/dbraw/zinc/34/89/99/392348999.db2.gz AICFXEDPJSXPGE-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353152 131093434 /nfs/dbraw/zinc/09/34/34/131093434.db2.gz GGMWBJQCXGKDKA-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353152 131093436 /nfs/dbraw/zinc/09/34/36/131093436.db2.gz GGMWBJQCXGKDKA-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353152 131093438 /nfs/dbraw/zinc/09/34/38/131093438.db2.gz GGMWBJQCXGKDKA-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246353152 131093439 /nfs/dbraw/zinc/09/34/39/131093439.db2.gz GGMWBJQCXGKDKA-LRDDRELGSA-N 2 2 282.378 3.127 20 0 CGADLP Cc1cccc(OCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247486125 131104000 /nfs/dbraw/zinc/10/40/00/131104000.db2.gz RHHSFYPMAWHNPJ-WMZOPIPTSA-N 2 2 299.418 3.153 20 0 CGADLP CCCC[C@@H](CC)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000438112218 542661684 /nfs/dbraw/zinc/66/16/84/542661684.db2.gz YZDGLMRGKDWTKH-QZTJIDSGSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@@H](CC)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000438112218 542661686 /nfs/dbraw/zinc/66/16/86/542661686.db2.gz YZDGLMRGKDWTKH-QZTJIDSGSA-N 2 2 296.499 3.247 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000252425594 131134358 /nfs/dbraw/zinc/13/43/58/131134358.db2.gz ONFXZTXXOUVNQE-HLLBOEOZSA-N 2 2 287.451 3.465 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCc3ccccc32)CCSC1 ZINC000361972162 392379013 /nfs/dbraw/zinc/37/90/13/392379013.db2.gz PLCZSMMSDPAYBC-IRXDYDNUSA-N 2 2 290.476 3.091 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000361973376 392379163 /nfs/dbraw/zinc/37/91/63/392379163.db2.gz WVXDWZTYWCLFDP-JKSUJKDBSA-N 2 2 296.455 3.304 20 0 CGADLP Cn1c[nH+]cc1CC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000459390304 542694528 /nfs/dbraw/zinc/69/45/28/542694528.db2.gz SRZCJEMCPNIINA-UHFFFAOYSA-N 2 2 265.445 3.357 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1CCCC1)CCC2 ZINC000366207491 392451495 /nfs/dbraw/zinc/45/14/95/392451495.db2.gz BTMFBDDCCUIOII-ZFWWWQNUSA-N 2 2 261.413 3.237 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782649 392480437 /nfs/dbraw/zinc/48/04/37/392480437.db2.gz VASAOTBGTLUGMC-CJNGLKHVSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782649 392480440 /nfs/dbraw/zinc/48/04/40/392480440.db2.gz VASAOTBGTLUGMC-CJNGLKHVSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000291779634 392480484 /nfs/dbraw/zinc/48/04/84/392480484.db2.gz UUMGPSJJLMKDQN-BBRMVZONSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000291779634 392480488 /nfs/dbraw/zinc/48/04/88/392480488.db2.gz UUMGPSJJLMKDQN-BBRMVZONSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000152099030 392494999 /nfs/dbraw/zinc/49/49/99/392494999.db2.gz HAYCMJDJLYARMZ-AEFFLSMTSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000152099030 392495001 /nfs/dbraw/zinc/49/50/01/392495001.db2.gz HAYCMJDJLYARMZ-AEFFLSMTSA-N 2 2 295.430 3.464 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000152048529 392495194 /nfs/dbraw/zinc/49/51/94/392495194.db2.gz RGIYOAXCCFTOSG-YOEHRIQHSA-N 2 2 276.424 3.412 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000297509689 392568536 /nfs/dbraw/zinc/56/85/36/392568536.db2.gz CNAGYXQLESTEGJ-BYCMXARLSA-N 2 2 264.438 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000297509689 392568541 /nfs/dbraw/zinc/56/85/41/392568541.db2.gz CNAGYXQLESTEGJ-BYCMXARLSA-N 2 2 264.438 3.272 20 0 CGADLP CCCC[C@H](COC)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000162246927 392594437 /nfs/dbraw/zinc/59/44/37/392594437.db2.gz SZSUIVGXSDHDPO-OAHLLOKOSA-N 2 2 289.423 3.140 20 0 CGADLP COCC[N@H+](C)CC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000505585051 392676694 /nfs/dbraw/zinc/67/66/94/392676694.db2.gz KJGREHUKADZUIV-QGZVFWFLSA-N 2 2 299.418 3.203 20 0 CGADLP COCC[N@@H+](C)CC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000505585051 392676696 /nfs/dbraw/zinc/67/66/96/392676696.db2.gz KJGREHUKADZUIV-QGZVFWFLSA-N 2 2 299.418 3.203 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372983278 392653588 /nfs/dbraw/zinc/65/35/88/392653588.db2.gz SKAQHMUIGULWPM-UKRRQHHQSA-N 2 2 284.407 3.182 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647553651 392767539 /nfs/dbraw/zinc/76/75/39/392767539.db2.gz GIOZEFXIZFTFLR-HNNXBMFYSA-N 2 2 294.826 3.113 20 0 CGADLP Clc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)cc1 ZINC000647481824 392734383 /nfs/dbraw/zinc/73/43/83/392734383.db2.gz UEPLEAYOOXYBBE-UHFFFAOYSA-N 2 2 290.794 3.395 20 0 CGADLP Clc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)cc1 ZINC000647481824 392734388 /nfs/dbraw/zinc/73/43/88/392734388.db2.gz UEPLEAYOOXYBBE-UHFFFAOYSA-N 2 2 290.794 3.395 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)nc1 ZINC000375320188 392766194 /nfs/dbraw/zinc/76/61/94/392766194.db2.gz MRIATYBOXCSFSW-LLVKDONJSA-N 2 2 290.798 3.119 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000335083389 392770380 /nfs/dbraw/zinc/77/03/80/392770380.db2.gz HULLZABGUCDLSG-HUUCEWRRSA-N 2 2 279.453 3.324 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000335083389 392770384 /nfs/dbraw/zinc/77/03/84/392770384.db2.gz HULLZABGUCDLSG-HUUCEWRRSA-N 2 2 279.453 3.324 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000647793716 392798704 /nfs/dbraw/zinc/79/87/04/392798704.db2.gz GARDFIOCXKUUID-LPWJVIDDSA-N 2 2 292.389 3.331 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000510918503 392820022 /nfs/dbraw/zinc/82/00/22/392820022.db2.gz FBZMFLUGNDRPFD-YJBOKZPZSA-N 2 2 290.451 3.151 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(OCC(C)C)c2)[C@@H](C)C1 ZINC000510918503 392820024 /nfs/dbraw/zinc/82/00/24/392820024.db2.gz FBZMFLUGNDRPFD-YJBOKZPZSA-N 2 2 290.451 3.151 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000194412908 392919389 /nfs/dbraw/zinc/91/93/89/392919389.db2.gz HFCOTVUQNXUSPL-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000194412908 392919396 /nfs/dbraw/zinc/91/93/96/392919396.db2.gz HFCOTVUQNXUSPL-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412908 392919401 /nfs/dbraw/zinc/91/94/01/392919401.db2.gz HFCOTVUQNXUSPL-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412908 392919407 /nfs/dbraw/zinc/91/94/07/392919407.db2.gz HFCOTVUQNXUSPL-QWRGUYRKSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccsc2S1 ZINC000336732337 392868313 /nfs/dbraw/zinc/86/83/13/392868313.db2.gz SBKBPXSZPRKRIC-PWSUYJOCSA-N 2 2 279.434 3.160 20 0 CGADLP F[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000518533426 392872009 /nfs/dbraw/zinc/87/20/09/392872009.db2.gz ZDWDRTJBEISRRG-GJZGRUSLSA-N 2 2 273.355 3.243 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)o3)C[C@@H]2C1 ZINC000194542061 392927466 /nfs/dbraw/zinc/92/74/66/392927466.db2.gz WVIVGTGRHFZNRJ-GASCZTMLSA-N 2 2 298.386 3.065 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)o3)C[C@@H]2C1 ZINC000194542061 392927471 /nfs/dbraw/zinc/92/74/71/392927471.db2.gz WVIVGTGRHFZNRJ-GASCZTMLSA-N 2 2 298.386 3.065 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)o3)C[C@@H]2C1 ZINC000194542061 392927477 /nfs/dbraw/zinc/92/74/77/392927477.db2.gz WVIVGTGRHFZNRJ-GASCZTMLSA-N 2 2 298.386 3.065 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)o3)C[C@@H]2C1 ZINC000194542061 392927480 /nfs/dbraw/zinc/92/74/80/392927480.db2.gz WVIVGTGRHFZNRJ-GASCZTMLSA-N 2 2 298.386 3.065 20 0 CGADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccccc1 ZINC000194565555 392929052 /nfs/dbraw/zinc/92/90/52/392929052.db2.gz HKFQRMDAUZCIGJ-OAHLLOKOSA-N 2 2 269.392 3.277 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948728 542721301 /nfs/dbraw/zinc/72/13/01/542721301.db2.gz CHHXEHOUUNPMPD-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948728 542721305 /nfs/dbraw/zinc/72/13/05/542721305.db2.gz CHHXEHOUUNPMPD-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948728 542721308 /nfs/dbraw/zinc/72/13/08/542721308.db2.gz CHHXEHOUUNPMPD-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948728 542721312 /nfs/dbraw/zinc/72/13/12/542721312.db2.gz CHHXEHOUUNPMPD-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985547 542722310 /nfs/dbraw/zinc/72/23/10/542722310.db2.gz KYVDQRWWVIZFKP-JSGCOSHPSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985547 542722311 /nfs/dbraw/zinc/72/23/11/542722311.db2.gz KYVDQRWWVIZFKP-JSGCOSHPSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985547 542722312 /nfs/dbraw/zinc/72/23/12/542722312.db2.gz KYVDQRWWVIZFKP-JSGCOSHPSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985547 542722313 /nfs/dbraw/zinc/72/23/13/542722313.db2.gz KYVDQRWWVIZFKP-JSGCOSHPSA-N 2 2 293.480 3.183 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000648461057 393032184 /nfs/dbraw/zinc/03/21/84/393032184.db2.gz CQCFKGMRVNOPRL-QGPMSJSTSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450153 393023701 /nfs/dbraw/zinc/02/37/01/393023701.db2.gz ZVIZNIYECVZAGI-SJCJKPOMSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450153 393023705 /nfs/dbraw/zinc/02/37/05/393023705.db2.gz ZVIZNIYECVZAGI-SJCJKPOMSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC[C@@H]3C)n2c1 ZINC000466413765 393029233 /nfs/dbraw/zinc/02/92/33/393029233.db2.gz KWDBHAHHULZHTF-KBPBESRZSA-N 2 2 257.381 3.169 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(C)cc1 ZINC000415043659 393108565 /nfs/dbraw/zinc/10/85/65/393108565.db2.gz AUNJCXGZHMIUGU-SFHVURJKSA-N 2 2 268.404 3.347 20 0 CGADLP CCC[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414999169 393086166 /nfs/dbraw/zinc/08/61/66/393086166.db2.gz VHYIJHHQMXZUBR-KGLIPLIRSA-N 2 2 270.367 3.142 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000347118313 393099441 /nfs/dbraw/zinc/09/94/41/393099441.db2.gz CROWLQIHQDYOBF-PVAVHDDUSA-N 2 2 260.425 3.458 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000347118313 393099449 /nfs/dbraw/zinc/09/94/49/393099449.db2.gz CROWLQIHQDYOBF-PVAVHDDUSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1C ZINC000547271894 393101132 /nfs/dbraw/zinc/10/11/32/393101132.db2.gz BPASBQPFBZABLE-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1C ZINC000547271894 393101138 /nfs/dbraw/zinc/10/11/38/393101138.db2.gz BPASBQPFBZABLE-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414982285 393079404 /nfs/dbraw/zinc/07/94/04/393079404.db2.gz CQTNJVYTBNPRQB-NSHDSACASA-N 2 2 280.721 3.186 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000348433787 393125090 /nfs/dbraw/zinc/12/50/90/393125090.db2.gz WGTDUTPLMYHUGH-SIXLDLHFSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000348433787 393125098 /nfs/dbraw/zinc/12/50/98/393125098.db2.gz WGTDUTPLMYHUGH-SIXLDLHFSA-N 2 2 276.399 3.302 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000415066859 393125787 /nfs/dbraw/zinc/12/57/87/393125787.db2.gz OLPPVDDCVPBXPE-CQSZACIVSA-N 2 2 270.779 3.086 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(OC2CCCC2)c1 ZINC000415069165 393126291 /nfs/dbraw/zinc/12/62/91/393126291.db2.gz OETVKLCTHBOLDC-MRXNPFEDSA-N 2 2 288.435 3.240 20 0 CGADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415082787 393136929 /nfs/dbraw/zinc/13/69/29/393136929.db2.gz MCXQXBITHXQLGM-ZDUSSCGKSA-N 2 2 290.304 3.161 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415105318 393147596 /nfs/dbraw/zinc/14/75/96/393147596.db2.gz LVHQRRFXCRTFLH-SNVBAGLBSA-N 2 2 287.234 3.223 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415127490 393152873 /nfs/dbraw/zinc/15/28/73/393152873.db2.gz NGXKDHMBJJHCST-OCCSQVGLSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415127490 393152881 /nfs/dbraw/zinc/15/28/81/393152881.db2.gz NGXKDHMBJJHCST-OCCSQVGLSA-N 2 2 296.842 3.155 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000269063218 393223879 /nfs/dbraw/zinc/22/38/79/393223879.db2.gz YFPVZPWSSFZIKI-NHYWBVRUSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000269063218 393223884 /nfs/dbraw/zinc/22/38/84/393223884.db2.gz YFPVZPWSSFZIKI-NHYWBVRUSA-N 2 2 284.806 3.299 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353608243 393228348 /nfs/dbraw/zinc/22/83/48/393228348.db2.gz IARFRVWFOHPMRS-OCCSQVGLSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353608243 393228352 /nfs/dbraw/zinc/22/83/52/393228352.db2.gz IARFRVWFOHPMRS-OCCSQVGLSA-N 2 2 287.794 3.198 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000470316930 393239187 /nfs/dbraw/zinc/23/91/87/393239187.db2.gz KMBOIGMZCDPTBP-CRAIPNDOSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000470316930 393239193 /nfs/dbraw/zinc/23/91/93/393239193.db2.gz KMBOIGMZCDPTBP-CRAIPNDOSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580864671 393203893 /nfs/dbraw/zinc/20/38/93/393203893.db2.gz FKSCTWHGDGCMNY-KRWDZBQOSA-N 2 2 286.463 3.353 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580864671 393203899 /nfs/dbraw/zinc/20/38/99/393203899.db2.gz FKSCTWHGDGCMNY-KRWDZBQOSA-N 2 2 286.463 3.353 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237660 393216068 /nfs/dbraw/zinc/21/60/68/393216068.db2.gz TXFJQKZETLQFCA-WCQYABFASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237660 393216072 /nfs/dbraw/zinc/21/60/72/393216072.db2.gz TXFJQKZETLQFCA-WCQYABFASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000471597338 393285616 /nfs/dbraw/zinc/28/56/16/393285616.db2.gz DKHNGYOPQJNNQW-YQFWSFKMSA-N 2 2 260.425 3.456 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(CCC(C)C)c[nH+]1 ZINC000416429304 393311593 /nfs/dbraw/zinc/31/15/93/393311593.db2.gz VEQNGYOYLSFTCY-UHFFFAOYSA-N 2 2 272.396 3.499 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272349261 393261126 /nfs/dbraw/zinc/26/11/26/393261126.db2.gz XXKAMYKEUZMTMW-NVXWUHKLSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272349261 393261134 /nfs/dbraw/zinc/26/11/34/393261134.db2.gz XXKAMYKEUZMTMW-NVXWUHKLSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216105 393382731 /nfs/dbraw/zinc/38/27/31/393382731.db2.gz MXGHKEURXABBLW-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216105 393382736 /nfs/dbraw/zinc/38/27/36/393382736.db2.gz MXGHKEURXABBLW-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211422 393389558 /nfs/dbraw/zinc/38/95/58/393389558.db2.gz QZOGSCNHTNVWBX-HOCLYGCPSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211422 393389565 /nfs/dbraw/zinc/38/95/65/393389565.db2.gz QZOGSCNHTNVWBX-HOCLYGCPSA-N 2 2 276.399 3.131 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](C)CC(F)F)n2c1 ZINC000647225838 393397097 /nfs/dbraw/zinc/39/70/97/393397097.db2.gz DOKZDSSXAISNEQ-LLVKDONJSA-N 2 2 267.323 3.024 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356268283 393401495 /nfs/dbraw/zinc/40/14/95/393401495.db2.gz YHMUPPUEJBERIF-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356268283 393401500 /nfs/dbraw/zinc/40/15/00/393401500.db2.gz YHMUPPUEJBERIF-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCCCC1 ZINC000474897047 393355596 /nfs/dbraw/zinc/35/55/96/393355596.db2.gz ROAXGKJUWFMYAI-AWEZNQCLSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281875119 393363103 /nfs/dbraw/zinc/36/31/03/393363103.db2.gz FQABKDKIZUWCMN-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP C[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000420399464 393481710 /nfs/dbraw/zinc/48/17/10/393481710.db2.gz HYKAJOOKPGPMGH-GXTWGEPZSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000420399464 393481717 /nfs/dbraw/zinc/48/17/17/393481717.db2.gz HYKAJOOKPGPMGH-GXTWGEPZSA-N 2 2 293.480 3.217 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885658 393459371 /nfs/dbraw/zinc/45/93/71/393459371.db2.gz WYOGOCUDLXWKIB-ZBFHGGJFSA-N 2 2 285.366 3.004 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccccc1OC(F)F)C1CCCCC1 ZINC000420359160 393472177 /nfs/dbraw/zinc/47/21/77/393472177.db2.gz GBWMZLLZEQHXKL-CQSZACIVSA-N 2 2 298.377 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000420363276 393474346 /nfs/dbraw/zinc/47/43/46/393474346.db2.gz JHOAJRFFDOPTLT-NWJSVONSSA-N 2 2 298.377 3.325 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000429553027 393477953 /nfs/dbraw/zinc/47/79/53/393477953.db2.gz MBYDEEXZXDPNBH-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1 ZINC000429553027 393477957 /nfs/dbraw/zinc/47/79/57/393477957.db2.gz MBYDEEXZXDPNBH-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)C1CCCCC1 ZINC000420375160 393478067 /nfs/dbraw/zinc/47/80/67/393478067.db2.gz SRZZCSDXQKKUBS-SFHVURJKSA-N 2 2 299.418 3.339 20 0 CGADLP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC[NH3+])c1 ZINC000420378489 393478512 /nfs/dbraw/zinc/47/85/12/393478512.db2.gz UOIDPADJGDGKCN-MOPGFXCFSA-N 2 2 296.414 3.185 20 0 CGADLP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CC[NH3+])c1 ZINC000420378489 393478514 /nfs/dbraw/zinc/47/85/14/393478514.db2.gz UOIDPADJGDGKCN-MOPGFXCFSA-N 2 2 296.414 3.185 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000356289469 393409440 /nfs/dbraw/zinc/40/94/40/393409440.db2.gz ARWIVULRFRIZEQ-YPMHNXCESA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000356289469 393409445 /nfs/dbraw/zinc/40/94/45/393409445.db2.gz ARWIVULRFRIZEQ-YPMHNXCESA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000356289469 393409449 /nfs/dbraw/zinc/40/94/49/393409449.db2.gz ARWIVULRFRIZEQ-YPMHNXCESA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000356289469 393409454 /nfs/dbraw/zinc/40/94/54/393409454.db2.gz ARWIVULRFRIZEQ-YPMHNXCESA-N 2 2 284.494 3.242 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578023 393485355 /nfs/dbraw/zinc/48/53/55/393485355.db2.gz RJFXPIPFWJVUKD-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578023 393485364 /nfs/dbraw/zinc/48/53/64/393485364.db2.gz RJFXPIPFWJVUKD-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)C1CC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000488422214 393507227 /nfs/dbraw/zinc/50/72/27/393507227.db2.gz LMZLLIZRCMYDDO-UHFFFAOYSA-N 2 2 287.451 3.070 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488448957 393518164 /nfs/dbraw/zinc/51/81/64/393518164.db2.gz MLWCKUFDYJYZCG-KFWWJZLASA-N 2 2 286.529 3.473 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2c1cccc2OC)[NH+]1CCCC1 ZINC000360064528 393560062 /nfs/dbraw/zinc/56/00/62/393560062.db2.gz VARMTQBOWIUOAF-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000657526885 542795679 /nfs/dbraw/zinc/79/56/79/542795679.db2.gz OMZHOFMMELDUTL-INIZCTEOSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000657526885 542795682 /nfs/dbraw/zinc/79/56/82/542795682.db2.gz OMZHOFMMELDUTL-INIZCTEOSA-N 2 2 290.451 3.356 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000666654540 542805942 /nfs/dbraw/zinc/80/59/42/542805942.db2.gz OJDYBNGMEMZZAB-WOPDTQHZSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000666654540 542805946 /nfs/dbraw/zinc/80/59/46/542805946.db2.gz OJDYBNGMEMZZAB-WOPDTQHZSA-N 2 2 266.351 3.023 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568724 393576422 /nfs/dbraw/zinc/57/64/22/393576422.db2.gz WYFZWVNVXKLMFP-GOSISDBHSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568724 393576431 /nfs/dbraw/zinc/57/64/31/393576431.db2.gz WYFZWVNVXKLMFP-GOSISDBHSA-N 2 2 298.430 3.293 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666768549 542814252 /nfs/dbraw/zinc/81/42/52/542814252.db2.gz JXLGYJHDBUIVJA-CYBMUJFWSA-N 2 2 273.207 3.225 20 0 CGADLP C[C@@H](CNc1[nH+]cccc1OCc1ccccc1)C[NH+](C)C ZINC000488993838 393570650 /nfs/dbraw/zinc/57/06/50/393570650.db2.gz PAOOWWPFEATUBC-HNNXBMFYSA-N 2 2 299.418 3.270 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000491304955 393678315 /nfs/dbraw/zinc/67/83/15/393678315.db2.gz LLBWZBVEBUYTLG-QGZVFWFLSA-N 2 2 292.492 3.489 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000432787972 393639338 /nfs/dbraw/zinc/63/93/38/393639338.db2.gz JHUVQCAARFCFDE-CQSZACIVSA-N 2 2 289.398 3.223 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000432787972 393639340 /nfs/dbraw/zinc/63/93/40/393639340.db2.gz JHUVQCAARFCFDE-CQSZACIVSA-N 2 2 289.398 3.223 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423294064 393658745 /nfs/dbraw/zinc/65/87/45/393658745.db2.gz BDOQMRHYOVYZJY-DZGCQCFKSA-N 2 2 262.397 3.007 20 0 CGADLP CC(C)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061044 393660176 /nfs/dbraw/zinc/66/01/76/393660176.db2.gz YFGBVFNGVNWUAD-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP CSCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361059609 393660721 /nfs/dbraw/zinc/66/07/21/393660721.db2.gz HFNRJAZSIMLIRG-UHFFFAOYSA-N 2 2 281.469 3.128 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1F ZINC000361068472 393664722 /nfs/dbraw/zinc/66/47/22/393664722.db2.gz LNNIMLSDTBHLDI-HIFRSBDPSA-N 2 2 276.399 3.330 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc(C)c1F ZINC000361068472 393664726 /nfs/dbraw/zinc/66/47/26/393664726.db2.gz LNNIMLSDTBHLDI-HIFRSBDPSA-N 2 2 276.399 3.330 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423390575 393665703 /nfs/dbraw/zinc/66/57/03/393665703.db2.gz WIEFLZRWPURZSJ-GHMZBOCLSA-N 2 2 274.330 3.354 20 0 CGADLP C[C@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000361085525 393668458 /nfs/dbraw/zinc/66/84/58/393668458.db2.gz IJOVBDFJIYOFEB-GOEBONIOSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@H]1CC[N@@H+](CCCc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000361085525 393668461 /nfs/dbraw/zinc/66/84/61/393668461.db2.gz IJOVBDFJIYOFEB-GOEBONIOSA-N 2 2 289.448 3.460 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423535505 393671635 /nfs/dbraw/zinc/67/16/35/393671635.db2.gz YAHSKNJOCTYRIL-IPMKNSEASA-N 2 2 296.389 3.158 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)o1 ZINC000423494522 393671960 /nfs/dbraw/zinc/67/19/60/393671960.db2.gz ASEGYYVYSQGSRU-IAQYHMDHSA-N 2 2 250.386 3.065 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442790924 393739419 /nfs/dbraw/zinc/73/94/19/393739419.db2.gz KAFDCBOUUDDLTD-GJZGRUSLSA-N 2 2 299.462 3.201 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066152 393741349 /nfs/dbraw/zinc/74/13/49/393741349.db2.gz RFKNPVSIPCJCNK-ARFHVFGLSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066152 393741353 /nfs/dbraw/zinc/74/13/53/393741353.db2.gz RFKNPVSIPCJCNK-ARFHVFGLSA-N 2 2 294.483 3.044 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201733 393749123 /nfs/dbraw/zinc/74/91/23/393749123.db2.gz IONBHYJISHJYIT-XYJFISCASA-N 2 2 292.467 3.391 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000443427463 393756441 /nfs/dbraw/zinc/75/64/41/393756441.db2.gz GKIXZYRHENQZRM-LSDHHAIUSA-N 2 2 285.366 3.413 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443427463 393756443 /nfs/dbraw/zinc/75/64/43/393756443.db2.gz GKIXZYRHENQZRM-LSDHHAIUSA-N 2 2 285.366 3.413 20 0 CGADLP CC1(C)CC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000433284408 393707039 /nfs/dbraw/zinc/70/70/39/393707039.db2.gz FWVOACOCCRBHRW-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP CCc1ccccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000445808718 393826700 /nfs/dbraw/zinc/82/67/00/393826700.db2.gz SVCJKGAHWPWYIT-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP CC(C)[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1C(C)C ZINC000449553919 393898975 /nfs/dbraw/zinc/89/89/75/393898975.db2.gz NBLYCIKRZHUFDU-GOEBONIOSA-N 2 2 295.496 3.317 20 0 CGADLP CC(C)[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1C(C)C ZINC000449553919 393898980 /nfs/dbraw/zinc/89/89/80/393898980.db2.gz NBLYCIKRZHUFDU-GOEBONIOSA-N 2 2 295.496 3.317 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000453125686 394180550 /nfs/dbraw/zinc/18/05/50/394180550.db2.gz JSDKLLHERKJIJR-VHRBIJSZSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cs1 ZINC000453125686 394180551 /nfs/dbraw/zinc/18/05/51/394180551.db2.gz JSDKLLHERKJIJR-VHRBIJSZSA-N 2 2 264.438 3.332 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000667492392 542875369 /nfs/dbraw/zinc/87/53/69/542875369.db2.gz GXGKCPMVTKHPDI-MRXNPFEDSA-N 2 2 267.376 3.166 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000667492392 542875373 /nfs/dbraw/zinc/87/53/73/542875373.db2.gz GXGKCPMVTKHPDI-MRXNPFEDSA-N 2 2 267.376 3.166 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)C[C@@H](C)O1 ZINC000453062656 394157210 /nfs/dbraw/zinc/15/72/10/394157210.db2.gz FFBYDAXXEOWWGP-IIDMSEBBSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453613840 394258385 /nfs/dbraw/zinc/25/83/85/394258385.db2.gz PDYXPTQIPBUNKI-GOEBONIOSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453431461 394244765 /nfs/dbraw/zinc/24/47/65/394244765.db2.gz RQNKEHWOWSNURJ-HNNXBMFYSA-N 2 2 289.467 3.460 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667589830 542894544 /nfs/dbraw/zinc/89/45/44/542894544.db2.gz DSOLJOYLERXVQD-MRXNPFEDSA-N 2 2 297.402 3.175 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667589830 542894548 /nfs/dbraw/zinc/89/45/48/542894548.db2.gz DSOLJOYLERXVQD-MRXNPFEDSA-N 2 2 297.402 3.175 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2)CC(C)C)n1C ZINC000667522818 542884143 /nfs/dbraw/zinc/88/41/43/542884143.db2.gz NWDNZIJPSAFCMT-UHFFFAOYSA-N 2 2 271.408 3.387 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2)CC(C)C)n1C ZINC000667522818 542884144 /nfs/dbraw/zinc/88/41/44/542884144.db2.gz NWDNZIJPSAFCMT-UHFFFAOYSA-N 2 2 271.408 3.387 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)n1C ZINC000667533022 542886440 /nfs/dbraw/zinc/88/64/40/542886440.db2.gz CHVOEQSRCOYCMB-INIZCTEOSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)n1C ZINC000667533022 542886443 /nfs/dbraw/zinc/88/64/43/542886443.db2.gz CHVOEQSRCOYCMB-INIZCTEOSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000667627382 542900788 /nfs/dbraw/zinc/90/07/88/542900788.db2.gz AAUNJHVCJSXIAC-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000667627382 542900791 /nfs/dbraw/zinc/90/07/91/542900791.db2.gz AAUNJHVCJSXIAC-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n1C ZINC000667683643 542915237 /nfs/dbraw/zinc/91/52/37/542915237.db2.gz WYQLMLUEATYSOF-DOMZBBRYSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n1C ZINC000667683643 542915238 /nfs/dbraw/zinc/91/52/38/542915238.db2.gz WYQLMLUEATYSOF-DOMZBBRYSA-N 2 2 273.380 3.295 20 0 CGADLP CCC(CC)[N@@H+](Cc1c[nH+]c(C)n1C)CC(C)C ZINC000667688548 542917182 /nfs/dbraw/zinc/91/71/82/542917182.db2.gz WPGRRBOUEMBFJH-UHFFFAOYSA-N 2 2 251.418 3.375 20 0 CGADLP CCC(CC)[N@H+](Cc1c[nH+]c(C)n1C)CC(C)C ZINC000667688548 542917185 /nfs/dbraw/zinc/91/71/85/542917185.db2.gz WPGRRBOUEMBFJH-UHFFFAOYSA-N 2 2 251.418 3.375 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705615 542920719 /nfs/dbraw/zinc/92/07/19/542920719.db2.gz HLXFUWKKQPVSEK-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705615 542920722 /nfs/dbraw/zinc/92/07/22/542920722.db2.gz HLXFUWKKQPVSEK-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705615 542920724 /nfs/dbraw/zinc/92/07/24/542920724.db2.gz HLXFUWKKQPVSEK-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705615 542920729 /nfs/dbraw/zinc/92/07/29/542920729.db2.gz HLXFUWKKQPVSEK-SMDDNHRTSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1C ZINC000667658460 542909358 /nfs/dbraw/zinc/90/93/58/542909358.db2.gz HOYZXPGXIRLJGN-DOMZBBRYSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1C ZINC000667658460 542909360 /nfs/dbraw/zinc/90/93/60/542909360.db2.gz HOYZXPGXIRLJGN-DOMZBBRYSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000667818824 542932914 /nfs/dbraw/zinc/93/29/14/542932914.db2.gz FNABXGNLOZUAHB-VSZNYVQBSA-N 2 2 272.436 3.376 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1C ZINC000668098723 542969065 /nfs/dbraw/zinc/96/90/65/542969065.db2.gz PWOIQTHXXXAAIK-KRWDZBQOSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1C ZINC000668098723 542969068 /nfs/dbraw/zinc/96/90/68/542969068.db2.gz PWOIQTHXXXAAIK-KRWDZBQOSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1C ZINC000668176445 542981532 /nfs/dbraw/zinc/98/15/32/542981532.db2.gz VNVXGGPPLSTGNW-TXEJJXNPSA-N 2 2 289.345 3.281 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1C ZINC000668176445 542981536 /nfs/dbraw/zinc/98/15/36/542981536.db2.gz VNVXGGPPLSTGNW-TXEJJXNPSA-N 2 2 289.345 3.281 20 0 CGADLP Clc1ccc(C2C[NH+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668223865 542992593 /nfs/dbraw/zinc/99/25/93/542992593.db2.gz WOFHHWMZQZNIKI-UHFFFAOYSA-N 2 2 287.794 3.082 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1C ZINC000668226237 542993635 /nfs/dbraw/zinc/99/36/35/542993635.db2.gz HIOCZOLYTFBLNR-MRXNPFEDSA-N 2 2 291.345 3.344 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1C ZINC000668226237 542993639 /nfs/dbraw/zinc/99/36/39/542993639.db2.gz HIOCZOLYTFBLNR-MRXNPFEDSA-N 2 2 291.345 3.344 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CC(c3ccccc3)(C(C)C)C2)n1C ZINC000668240331 542996139 /nfs/dbraw/zinc/99/61/39/542996139.db2.gz FKDPQJMKVKEKER-UHFFFAOYSA-N 2 2 283.419 3.138 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)n1C ZINC000668275046 542999807 /nfs/dbraw/zinc/99/98/07/542999807.db2.gz QSQVITQEVJZYJS-ZBFHGGJFSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)n1C ZINC000668275046 542999809 /nfs/dbraw/zinc/99/98/09/542999809.db2.gz QSQVITQEVJZYJS-ZBFHGGJFSA-N 2 2 275.440 3.377 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458737 543015277 /nfs/dbraw/zinc/01/52/77/543015277.db2.gz HXAZLDNXXKEEHN-NVXWUHKLSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458737 543015279 /nfs/dbraw/zinc/01/52/79/543015279.db2.gz HXAZLDNXXKEEHN-NVXWUHKLSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC(C)(C)CC(C)(C)C2)n1C ZINC000668556398 543026512 /nfs/dbraw/zinc/02/65/12/543026512.db2.gz SVGJRQVSWHAXBO-UHFFFAOYSA-N 2 2 263.429 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC(C)(C)CC(C)(C)C2)n1C ZINC000668556398 543026513 /nfs/dbraw/zinc/02/65/13/543026513.db2.gz SVGJRQVSWHAXBO-UHFFFAOYSA-N 2 2 263.429 3.377 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668616052 543035750 /nfs/dbraw/zinc/03/57/50/543035750.db2.gz DZZBBPPOMSZYGD-HOTGVXAUSA-N 2 2 290.451 3.033 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000671098994 543159574 /nfs/dbraw/zinc/15/95/74/543159574.db2.gz GIXAMOLYUKTMRD-CVEARBPZSA-N 2 2 284.488 3.290 20 0 CGADLP CCCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000671195000 543162592 /nfs/dbraw/zinc/16/25/92/543162592.db2.gz UCRNHHASVYYZIF-UHFFFAOYSA-N 2 2 283.419 3.462 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000671297075 543167491 /nfs/dbraw/zinc/16/74/91/543167491.db2.gz JWKAWXBKSMQRSK-CVEARBPZSA-N 2 2 283.419 3.482 20 0 CGADLP CCc1cc(NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)nc[nH+]1 ZINC000672324554 543208619 /nfs/dbraw/zinc/20/86/19/543208619.db2.gz XKNZTJMSGXHWRY-TZMCWYRMSA-N 2 2 288.395 3.173 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000674005792 543262309 /nfs/dbraw/zinc/26/23/09/543262309.db2.gz NFQRLSFGTPTCMW-RDJZCZTQSA-N 2 2 285.366 3.347 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000674005792 543262313 /nfs/dbraw/zinc/26/23/13/543262313.db2.gz NFQRLSFGTPTCMW-RDJZCZTQSA-N 2 2 285.366 3.347 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000674304014 543280633 /nfs/dbraw/zinc/28/06/33/543280633.db2.gz IUMFBYZXKLOXKI-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000674304014 543280635 /nfs/dbraw/zinc/28/06/35/543280635.db2.gz IUMFBYZXKLOXKI-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877517 543302147 /nfs/dbraw/zinc/30/21/47/543302147.db2.gz VEUSAAPTGMIXSO-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877517 543302149 /nfs/dbraw/zinc/30/21/49/543302149.db2.gz VEUSAAPTGMIXSO-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877518 543302663 /nfs/dbraw/zinc/30/26/63/543302663.db2.gz VEUSAAPTGMIXSO-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877518 543302666 /nfs/dbraw/zinc/30/26/66/543302666.db2.gz VEUSAAPTGMIXSO-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000675288842 543326192 /nfs/dbraw/zinc/32/61/92/543326192.db2.gz RPSVIGSQCLOXPY-KRWDZBQOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000675288842 543326194 /nfs/dbraw/zinc/32/61/94/543326194.db2.gz RPSVIGSQCLOXPY-KRWDZBQOSA-N 2 2 281.403 3.101 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCC1 ZINC000421839522 292146554 /nfs/dbraw/zinc/14/65/54/292146554.db2.gz XIYBVCNRADXKFV-GJZGRUSLSA-N 2 2 291.439 3.006 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000675765555 543361786 /nfs/dbraw/zinc/36/17/86/543361786.db2.gz KLUAPNMDEMMQQI-ROUUACIJSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000675765555 543361788 /nfs/dbraw/zinc/36/17/88/543361788.db2.gz KLUAPNMDEMMQQI-ROUUACIJSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768395 543363316 /nfs/dbraw/zinc/36/33/16/543363316.db2.gz XGYXARSFUQWKCT-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768395 543363318 /nfs/dbraw/zinc/36/33/18/543363318.db2.gz XGYXARSFUQWKCT-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC2CCC2)CC1 ZINC000675833406 543368412 /nfs/dbraw/zinc/36/84/12/543368412.db2.gz PYRADFJRXKTXGA-CQSZACIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000675883501 543370050 /nfs/dbraw/zinc/37/00/50/543370050.db2.gz CVIKBOQLIIOYLN-OAHLLOKOSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000675921165 543373561 /nfs/dbraw/zinc/37/35/61/543373561.db2.gz VYKSRJYSZSBWCR-SJORKVTESA-N 2 2 283.419 3.482 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924814 543374254 /nfs/dbraw/zinc/37/42/54/543374254.db2.gz VFUHGFVKQQFZMW-OWCLPIDISA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924814 543374255 /nfs/dbraw/zinc/37/42/55/543374255.db2.gz VFUHGFVKQQFZMW-OWCLPIDISA-N 2 2 252.446 3.133 20 0 CGADLP COCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748661 543463426 /nfs/dbraw/zinc/46/34/26/543463426.db2.gz CEPDACFHOISWKO-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP COCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748661 543463428 /nfs/dbraw/zinc/46/34/28/543463428.db2.gz CEPDACFHOISWKO-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749001 543463450 /nfs/dbraw/zinc/46/34/50/543463450.db2.gz GCGRRKQVNVONFH-INIZCTEOSA-N 2 2 258.409 3.182 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000677749001 543463452 /nfs/dbraw/zinc/46/34/52/543463452.db2.gz GCGRRKQVNVONFH-INIZCTEOSA-N 2 2 258.409 3.182 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000678234779 543498482 /nfs/dbraw/zinc/49/84/82/543498482.db2.gz KZCIRCYBYFOBMM-SQNIBIBYSA-N 2 2 281.403 3.324 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000678234779 543498485 /nfs/dbraw/zinc/49/84/85/543498485.db2.gz KZCIRCYBYFOBMM-SQNIBIBYSA-N 2 2 281.403 3.324 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)c[nH+]1 ZINC000678234487 543498613 /nfs/dbraw/zinc/49/86/13/543498613.db2.gz GJRXZLHFZOMQSJ-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)c[nH+]1 ZINC000678234487 543498615 /nfs/dbraw/zinc/49/86/15/543498615.db2.gz GJRXZLHFZOMQSJ-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP Clc1cscc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277292 543509838 /nfs/dbraw/zinc/50/98/38/543509838.db2.gz SGLKNNQEUSPQAH-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1cscc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277292 543509841 /nfs/dbraw/zinc/50/98/41/543509841.db2.gz SGLKNNQEUSPQAH-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340880 543515797 /nfs/dbraw/zinc/51/57/97/543515797.db2.gz SAWMGHODWNVSMN-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340880 543515799 /nfs/dbraw/zinc/51/57/99/543515799.db2.gz SAWMGHODWNVSMN-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340880 543515802 /nfs/dbraw/zinc/51/58/02/543515802.db2.gz SAWMGHODWNVSMN-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CCCCO1 ZINC000678302257 543512438 /nfs/dbraw/zinc/51/24/38/543512438.db2.gz CTROGSAXUSHNOM-OAHLLOKOSA-N 2 2 287.407 3.019 20 0 CGADLP c1ccc([C@@H](C[NH2+][C@H]2CCCSC2)[NH+]2CCCC2)cc1 ZINC000061571559 296615967 /nfs/dbraw/zinc/61/59/67/296615967.db2.gz FCPFNCHGLJBKCL-DLBZAZTESA-N 2 2 290.476 3.309 20 0 CGADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000678763076 543554160 /nfs/dbraw/zinc/55/41/60/543554160.db2.gz DANNDQHOAVCTRC-YOEHRIQHSA-N 2 2 269.392 3.186 20 0 CGADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000678763075 543554263 /nfs/dbraw/zinc/55/42/63/543554263.db2.gz DANNDQHOAVCTRC-WMLDXEAASA-N 2 2 269.392 3.186 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678771970 543556008 /nfs/dbraw/zinc/55/60/08/543556008.db2.gz SFWMWBAZQVUGTC-LSBZLQRGSA-N 2 2 284.447 3.384 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678771970 543556010 /nfs/dbraw/zinc/55/60/10/543556010.db2.gz SFWMWBAZQVUGTC-LSBZLQRGSA-N 2 2 284.447 3.384 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2c(C)noc2C)CC1 ZINC000678773938 543556756 /nfs/dbraw/zinc/55/67/56/543556756.db2.gz CQTBCKISZILRFA-HNNXBMFYSA-N 2 2 279.428 3.207 20 0 CGADLP CC[N@H+](CCC(F)(F)F)Cc1cccc2[nH+]ccn21 ZINC000678821603 543563198 /nfs/dbraw/zinc/56/31/98/543563198.db2.gz YOKLQOHBTOQLSW-UHFFFAOYSA-N 2 2 271.286 3.109 20 0 CGADLP CC[N@@H+](CCC(F)(F)F)Cc1cccc2[nH+]ccn21 ZINC000678821603 543563200 /nfs/dbraw/zinc/56/32/00/543563200.db2.gz YOKLQOHBTOQLSW-UHFFFAOYSA-N 2 2 271.286 3.109 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678822880 543563537 /nfs/dbraw/zinc/56/35/37/543563537.db2.gz KBSGPXLMQILCHE-NVXWUHKLSA-N 2 2 299.418 3.332 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678822880 543563540 /nfs/dbraw/zinc/56/35/40/543563540.db2.gz KBSGPXLMQILCHE-NVXWUHKLSA-N 2 2 299.418 3.332 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344086261 286389975 /nfs/dbraw/zinc/38/99/75/286389975.db2.gz BOUXGYXWIOSRAX-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344086261 286389979 /nfs/dbraw/zinc/38/99/79/286389979.db2.gz BOUXGYXWIOSRAX-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCCCCC1)c1ccccc1 ZINC000040433268 286890315 /nfs/dbraw/zinc/89/03/15/286890315.db2.gz XJKQFILUSOYYQA-MRXNPFEDSA-N 2 2 260.425 3.256 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049574946 286927822 /nfs/dbraw/zinc/92/78/22/286927822.db2.gz GKZZEHIZIURVOA-SFHVURJKSA-N 2 2 288.435 3.222 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000077250117 287038130 /nfs/dbraw/zinc/03/81/30/287038130.db2.gz LMXLIFTWKOFTDR-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000077250117 287038131 /nfs/dbraw/zinc/03/81/31/287038131.db2.gz LMXLIFTWKOFTDR-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070101650 165053141 /nfs/dbraw/zinc/05/31/41/165053141.db2.gz TZBVSMWJELKEFZ-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070101650 165053142 /nfs/dbraw/zinc/05/31/42/165053142.db2.gz TZBVSMWJELKEFZ-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP Cn1cc[nH+]c1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000071274445 165067914 /nfs/dbraw/zinc/06/79/14/165067914.db2.gz SHDZVOQMDPTFCW-UHFFFAOYSA-N 2 2 272.739 3.234 20 0 CGADLP Clc1ncccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835046 165104137 /nfs/dbraw/zinc/10/41/37/165104137.db2.gz KDYWVSOBLOJDBL-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1ncccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835046 165104139 /nfs/dbraw/zinc/10/41/39/165104139.db2.gz KDYWVSOBLOJDBL-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP CCC(CC)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050858 165224770 /nfs/dbraw/zinc/22/47/70/165224770.db2.gz UDOSSAKOLSQABI-UHFFFAOYSA-N 2 2 259.397 3.284 20 0 CGADLP COc1ccc2ccccc2c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091669387 165264667 /nfs/dbraw/zinc/26/46/67/165264667.db2.gz ALEREPLBOPRSKI-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000091333708 287107682 /nfs/dbraw/zinc/10/76/82/287107682.db2.gz FOFFGZSBXNGIHL-CXAGYDPISA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000091333708 287107683 /nfs/dbraw/zinc/10/76/83/287107683.db2.gz FOFFGZSBXNGIHL-CXAGYDPISA-N 2 2 258.409 3.210 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cncs3)C2)CC1 ZINC000092587657 165304130 /nfs/dbraw/zinc/30/41/30/165304130.db2.gz SWEKYVRTKPQFLW-HNNXBMFYSA-N 2 2 293.480 3.087 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cncs3)C2)CC1 ZINC000092587657 165304133 /nfs/dbraw/zinc/30/41/33/165304133.db2.gz SWEKYVRTKPQFLW-HNNXBMFYSA-N 2 2 293.480 3.087 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000092738725 165311275 /nfs/dbraw/zinc/31/12/75/165311275.db2.gz KMNBQHPXTHDXIW-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094266984 165346625 /nfs/dbraw/zinc/34/66/25/165346625.db2.gz ULUFPOQKIRUARQ-NWDGAFQWSA-N 2 2 285.313 3.139 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094266984 165346627 /nfs/dbraw/zinc/34/66/27/165346627.db2.gz ULUFPOQKIRUARQ-NWDGAFQWSA-N 2 2 285.313 3.139 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C12CCCCC2 ZINC000097928120 165405043 /nfs/dbraw/zinc/40/50/43/165405043.db2.gz GAOXDXVKRPTGGG-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccoc1 ZINC000094867458 287122744 /nfs/dbraw/zinc/12/27/44/287122744.db2.gz DUQRVCOUMZPDPJ-HNNXBMFYSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccoc1 ZINC000094867458 287122745 /nfs/dbraw/zinc/12/27/45/287122745.db2.gz DUQRVCOUMZPDPJ-HNNXBMFYSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000367209048 287157917 /nfs/dbraw/zinc/15/79/17/287157917.db2.gz ZETZREHKHSZFQT-IAAVTCLWSA-N 2 2 299.462 3.385 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000122298287 287208535 /nfs/dbraw/zinc/20/85/35/287208535.db2.gz RXOANEBSFVWXOA-YPMHNXCESA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000122298287 287208537 /nfs/dbraw/zinc/20/85/37/287208537.db2.gz RXOANEBSFVWXOA-YPMHNXCESA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640382 287214486 /nfs/dbraw/zinc/21/44/86/287214486.db2.gz GKHKLRFKHZSQPP-JHJVBQTASA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640382 287214488 /nfs/dbraw/zinc/21/44/88/287214488.db2.gz GKHKLRFKHZSQPP-JHJVBQTASA-N 2 2 261.413 3.071 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000284225374 196006764 /nfs/dbraw/zinc/00/67/64/196006764.db2.gz HMDAYNCOLNGFQT-BMGDILEWSA-N 2 2 299.418 3.064 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000020129084 171016275 /nfs/dbraw/zinc/01/62/75/171016275.db2.gz VVOAAOUYMLIYEF-LBPRGKRZSA-N 2 2 268.351 3.101 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc(C)c1 ZINC000020186597 171050590 /nfs/dbraw/zinc/05/05/90/171050590.db2.gz YSRRHTUEOAGZFH-UHFFFAOYSA-N 2 2 279.387 3.443 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000020506142 171228549 /nfs/dbraw/zinc/22/85/49/171228549.db2.gz SFDQUFNFXMHDOI-CYBMUJFWSA-N 2 2 269.348 3.370 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274801 172095406 /nfs/dbraw/zinc/09/54/06/172095406.db2.gz CSHIDMHSSVXZHW-HNNXBMFYSA-N 2 2 287.407 3.240 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)cc1 ZINC000037220369 173038324 /nfs/dbraw/zinc/03/83/24/173038324.db2.gz SMNVZOGKZACKKY-MRXNPFEDSA-N 2 2 260.425 3.376 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037223991 173044995 /nfs/dbraw/zinc/04/49/95/173044995.db2.gz FXGOVSPOHDYIPU-QGZVFWFLSA-N 2 2 260.425 3.386 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000062719128 416487438 /nfs/dbraw/zinc/48/74/38/416487438.db2.gz GTBFAVWFIQNJSP-DOMZBBRYSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000062719128 416487442 /nfs/dbraw/zinc/48/74/42/416487442.db2.gz GTBFAVWFIQNJSP-DOMZBBRYSA-N 2 2 298.352 3.068 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000122343062 416504704 /nfs/dbraw/zinc/50/47/04/416504704.db2.gz IZUJJQQHJBEJGE-RISCZKNCSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000122343062 416504708 /nfs/dbraw/zinc/50/47/08/416504708.db2.gz IZUJJQQHJBEJGE-RISCZKNCSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000129753206 287338391 /nfs/dbraw/zinc/33/83/91/287338391.db2.gz RDJGZJYYZFOMOH-GRYCIOLGSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000129753206 287338394 /nfs/dbraw/zinc/33/83/94/287338394.db2.gz RDJGZJYYZFOMOH-GRYCIOLGSA-N 2 2 278.362 3.180 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000679216953 543600333 /nfs/dbraw/zinc/60/03/33/543600333.db2.gz HBWZNORROZXPRD-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000679216953 543600335 /nfs/dbraw/zinc/60/03/35/543600335.db2.gz HBWZNORROZXPRD-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1F ZINC000679220799 543601529 /nfs/dbraw/zinc/60/15/29/543601529.db2.gz JQRKVPHOOWWSIR-BBRMVZONSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1F ZINC000679220799 543601532 /nfs/dbraw/zinc/60/15/32/543601532.db2.gz JQRKVPHOOWWSIR-BBRMVZONSA-N 2 2 273.355 3.052 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC3 ZINC000679342559 543623868 /nfs/dbraw/zinc/62/38/68/543623868.db2.gz UXCNVHPCZKSWRL-LSDHHAIUSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC3 ZINC000679342559 543623871 /nfs/dbraw/zinc/62/38/71/543623871.db2.gz UXCNVHPCZKSWRL-LSDHHAIUSA-N 2 2 297.446 3.017 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130222260 287347930 /nfs/dbraw/zinc/34/79/30/287347930.db2.gz GGGUHSUAAJOGFR-JKSUJKDBSA-N 2 2 260.425 3.253 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000679535886 543644061 /nfs/dbraw/zinc/64/40/61/543644061.db2.gz DHOYBVZNGZVHAA-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000679535886 543644063 /nfs/dbraw/zinc/64/40/63/543644063.db2.gz DHOYBVZNGZVHAA-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP Fc1cccc(CCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000679316904 543616531 /nfs/dbraw/zinc/61/65/31/543616531.db2.gz OSVRFSMVOKYSMJ-KRWDZBQOSA-N 2 2 287.382 3.292 20 0 CGADLP Fc1cccc(CCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000679316904 543616534 /nfs/dbraw/zinc/61/65/34/543616534.db2.gz OSVRFSMVOKYSMJ-KRWDZBQOSA-N 2 2 287.382 3.292 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679670981 543654669 /nfs/dbraw/zinc/65/46/69/543654669.db2.gz LDVTXGRTEFAHGH-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679670981 543654674 /nfs/dbraw/zinc/65/46/74/543654674.db2.gz LDVTXGRTEFAHGH-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000679989075 543672478 /nfs/dbraw/zinc/67/24/78/543672478.db2.gz OQRQVIHSBPQPDJ-ZFWWWQNUSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000679989075 543672480 /nfs/dbraw/zinc/67/24/80/543672480.db2.gz OQRQVIHSBPQPDJ-ZFWWWQNUSA-N 2 2 278.465 3.023 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000130664058 287360574 /nfs/dbraw/zinc/36/05/74/287360574.db2.gz VPQOXVMKRKSVLK-CYBMUJFWSA-N 2 2 283.350 3.367 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000682131601 543827177 /nfs/dbraw/zinc/82/71/77/543827177.db2.gz AFPQMURMWXWOKF-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000682131601 543827180 /nfs/dbraw/zinc/82/71/80/543827180.db2.gz AFPQMURMWXWOKF-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP Cc1cccn2c(CNc3cc[nH+]c(C)c3Cl)c[nH+]c12 ZINC000683070372 543893579 /nfs/dbraw/zinc/89/35/79/543893579.db2.gz BISWTZJUJJKXNY-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP Cc1ccnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000685579262 544086706 /nfs/dbraw/zinc/08/67/06/544086706.db2.gz RSPDFTNOWIKFJY-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631844 544091213 /nfs/dbraw/zinc/09/12/13/544091213.db2.gz NAGXQPWMXNTGOX-DLBZAZTESA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631844 544091216 /nfs/dbraw/zinc/09/12/16/544091216.db2.gz NAGXQPWMXNTGOX-DLBZAZTESA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000652222157 418936554 /nfs/dbraw/zinc/93/65/54/418936554.db2.gz GQRXVGJRPYUUOC-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000652222157 418936556 /nfs/dbraw/zinc/93/65/56/418936556.db2.gz GQRXVGJRPYUUOC-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP CCCOc1cccc2c(N(C)CC3C[NH+](C)C3)cc[nH+]c12 ZINC000664331456 418940662 /nfs/dbraw/zinc/94/06/62/418940662.db2.gz WNEBFYOWWSJNBR-UHFFFAOYSA-N 2 2 299.418 3.021 20 0 CGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523005 419042935 /nfs/dbraw/zinc/04/29/35/419042935.db2.gz YYOREAQNVMHYOO-JKSUJKDBSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523005 419042938 /nfs/dbraw/zinc/04/29/38/419042938.db2.gz YYOREAQNVMHYOO-JKSUJKDBSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523005 419042941 /nfs/dbraw/zinc/04/29/41/419042941.db2.gz YYOREAQNVMHYOO-JKSUJKDBSA-N 2 2 296.455 3.064 20 0 CGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccc(C)o1 ZINC000653523005 419042944 /nfs/dbraw/zinc/04/29/44/419042944.db2.gz YYOREAQNVMHYOO-JKSUJKDBSA-N 2 2 296.455 3.064 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000655756545 419087750 /nfs/dbraw/zinc/08/77/50/419087750.db2.gz VBPUPPYRGLZFSE-CVEARBPZSA-N 2 2 281.403 3.092 20 0 CGADLP CSc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000660146576 419087845 /nfs/dbraw/zinc/08/78/45/419087845.db2.gz HUXDBSMBNVAPRI-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CSc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000660146576 419087848 /nfs/dbraw/zinc/08/78/48/419087848.db2.gz HUXDBSMBNVAPRI-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000655756548 419088355 /nfs/dbraw/zinc/08/83/55/419088355.db2.gz VBPUPPYRGLZFSE-JKSUJKDBSA-N 2 2 281.403 3.092 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H]1C ZINC000665253079 419094530 /nfs/dbraw/zinc/09/45/30/419094530.db2.gz GLHBLGVOWMRULC-WFWMFYHFSA-N 2 2 294.389 3.044 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655857250 419124699 /nfs/dbraw/zinc/12/46/99/419124699.db2.gz UISQCDWVXMHSRP-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655857250 419124701 /nfs/dbraw/zinc/12/47/01/419124701.db2.gz UISQCDWVXMHSRP-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276441 419099569 /nfs/dbraw/zinc/09/95/69/419099569.db2.gz CLSYBUMKCBZIND-NXVRBGIVSA-N 2 2 272.436 3.288 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276737 419099642 /nfs/dbraw/zinc/09/96/42/419099642.db2.gz LITZRLVYOPXDRM-LWOUBBNUSA-N 2 2 293.480 3.152 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275247 419099889 /nfs/dbraw/zinc/09/98/89/419099889.db2.gz GFRGHZYXPAGTSF-SMDDNHRTSA-N 2 2 286.341 3.025 20 0 CGADLP Cc1ccccc1C(F)(F)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000665275831 419100152 /nfs/dbraw/zinc/10/01/52/419100152.db2.gz SQOUMZAFYBNOQU-ZFWWWQNUSA-N 2 2 282.378 3.194 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655859682 419124861 /nfs/dbraw/zinc/12/48/61/419124861.db2.gz NWKMJIZKWLGMFQ-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655859682 419124866 /nfs/dbraw/zinc/12/48/66/419124866.db2.gz NWKMJIZKWLGMFQ-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000665293890 419106977 /nfs/dbraw/zinc/10/69/77/419106977.db2.gz DWRFTKKSXLGBQU-DTWKUNHWSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000665296929 419110173 /nfs/dbraw/zinc/11/01/73/419110173.db2.gz ZTWANMAAZRJPPF-ZWNOBZJWSA-N 2 2 284.856 3.465 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000665297716 419110730 /nfs/dbraw/zinc/11/07/30/419110730.db2.gz KGBUCOVPYFXRNW-CRAIPNDOSA-N 2 2 268.404 3.282 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000665297417 419111373 /nfs/dbraw/zinc/11/13/73/419111373.db2.gz FPAJGRUDTBUVJK-RHSMWYFYSA-N 2 2 260.425 3.424 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000655847912 419118206 /nfs/dbraw/zinc/11/82/06/419118206.db2.gz FTQCYWVXDQYOBP-OTWHNJEPSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000655847912 419118210 /nfs/dbraw/zinc/11/82/10/419118210.db2.gz FTQCYWVXDQYOBP-OTWHNJEPSA-N 2 2 284.447 3.150 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000655848323 419118446 /nfs/dbraw/zinc/11/84/46/419118446.db2.gz DRPPEACFINKNCU-CWRNSKLLSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000655848323 419118448 /nfs/dbraw/zinc/11/84/48/419118448.db2.gz DRPPEACFINKNCU-CWRNSKLLSA-N 2 2 282.497 3.125 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655849875 419120775 /nfs/dbraw/zinc/12/07/75/419120775.db2.gz ZWPRKVDSDWIJMI-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655849875 419120778 /nfs/dbraw/zinc/12/07/78/419120778.db2.gz ZWPRKVDSDWIJMI-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655850830 419120803 /nfs/dbraw/zinc/12/08/03/419120803.db2.gz MSTAJGQWARQUSH-KBPBESRZSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850830 419120808 /nfs/dbraw/zinc/12/08/08/419120808.db2.gz MSTAJGQWARQUSH-KBPBESRZSA-N 2 2 272.383 3.171 20 0 CGADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1Cl ZINC000659983344 419051815 /nfs/dbraw/zinc/05/18/15/419051815.db2.gz JXDYGWDBNASVHA-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1Cl ZINC000659983344 419051819 /nfs/dbraw/zinc/05/18/19/419051819.db2.gz JXDYGWDBNASVHA-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000659983344 419051823 /nfs/dbraw/zinc/05/18/23/419051823.db2.gz JXDYGWDBNASVHA-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1Cl ZINC000659983344 419051825 /nfs/dbraw/zinc/05/18/25/419051825.db2.gz JXDYGWDBNASVHA-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000655855831 419123501 /nfs/dbraw/zinc/12/35/01/419123501.db2.gz JDAFEPLAUDXRIK-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000655855831 419123503 /nfs/dbraw/zinc/12/35/03/419123503.db2.gz JDAFEPLAUDXRIK-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655855203 419123706 /nfs/dbraw/zinc/12/37/06/419123706.db2.gz DVMGVCVUEQNCDW-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655855203 419123707 /nfs/dbraw/zinc/12/37/07/419123707.db2.gz DVMGVCVUEQNCDW-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP CCCC1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655698538 419068722 /nfs/dbraw/zinc/06/87/22/419068722.db2.gz IUINWGUCAYLWLE-HTWSVDAQSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000655706226 419071469 /nfs/dbraw/zinc/07/14/69/419071469.db2.gz JFWNFRBZYQPWJR-HIFRSBDPSA-N 2 2 287.432 3.246 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708286 419072293 /nfs/dbraw/zinc/07/22/93/419072293.db2.gz MOTKYTZUJSNQNU-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078280 419072898 /nfs/dbraw/zinc/07/28/98/419072898.db2.gz TYHJKCMUWRCBNI-NWDGAFQWSA-N 2 2 271.355 3.271 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078280 419072902 /nfs/dbraw/zinc/07/29/02/419072902.db2.gz TYHJKCMUWRCBNI-NWDGAFQWSA-N 2 2 271.355 3.271 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000655707800 419073164 /nfs/dbraw/zinc/07/31/64/419073164.db2.gz DEQVKUULWJAJON-KBPBESRZSA-N 2 2 279.453 3.147 20 0 CGADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719410 419076238 /nfs/dbraw/zinc/07/62/38/419076238.db2.gz SPRSHQYEWZNDSN-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000656431568 419169843 /nfs/dbraw/zinc/16/98/43/419169843.db2.gz XHGAURCEVLUCRQ-MRXNPFEDSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1cccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000656431568 419169845 /nfs/dbraw/zinc/16/98/45/419169845.db2.gz XHGAURCEVLUCRQ-MRXNPFEDSA-N 2 2 289.810 3.416 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000151342928 287512132 /nfs/dbraw/zinc/51/21/32/287512132.db2.gz AUOWOGXIWQLAIJ-KRWDZBQOSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654454 419177185 /nfs/dbraw/zinc/17/71/85/419177185.db2.gz GJSRDCMUKJOLOT-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654454 419177187 /nfs/dbraw/zinc/17/71/87/419177187.db2.gz GJSRDCMUKJOLOT-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654454 419177191 /nfs/dbraw/zinc/17/71/91/419177191.db2.gz GJSRDCMUKJOLOT-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654454 419177192 /nfs/dbraw/zinc/17/71/92/419177192.db2.gz GJSRDCMUKJOLOT-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654502 419177540 /nfs/dbraw/zinc/17/75/40/419177540.db2.gz GSSIRKBBLTXBBI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654502 419177542 /nfs/dbraw/zinc/17/75/42/419177542.db2.gz GSSIRKBBLTXBBI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654502 419177545 /nfs/dbraw/zinc/17/75/45/419177545.db2.gz GSSIRKBBLTXBBI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654502 419177547 /nfs/dbraw/zinc/17/75/47/419177547.db2.gz GSSIRKBBLTXBBI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)ccc1Cl)C2 ZINC000660661697 419180020 /nfs/dbraw/zinc/18/00/20/419180020.db2.gz FLVIEPWKYTWWLG-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(F)ccc1Cl)C2 ZINC000660661697 419180022 /nfs/dbraw/zinc/18/00/22/419180022.db2.gz FLVIEPWKYTWWLG-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC000660661697 419180024 /nfs/dbraw/zinc/18/00/24/419180024.db2.gz FLVIEPWKYTWWLG-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC000660661697 419180026 /nfs/dbraw/zinc/18/00/26/419180026.db2.gz FLVIEPWKYTWWLG-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ccncc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674140 419181267 /nfs/dbraw/zinc/18/12/67/419181267.db2.gz CVNSBJPWPWJTHU-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657336488 419253570 /nfs/dbraw/zinc/25/35/70/419253570.db2.gz TZPURWGRXLTWFO-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP CC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1C ZINC000657388538 419267399 /nfs/dbraw/zinc/26/73/99/419267399.db2.gz DHFOSYPHEQTONT-MRXNPFEDSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656676676 419197396 /nfs/dbraw/zinc/19/73/96/419197396.db2.gz PLXOBWRRHFUHAT-WBVHZDCISA-N 2 2 274.452 3.470 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656676676 419197398 /nfs/dbraw/zinc/19/73/98/419197398.db2.gz PLXOBWRRHFUHAT-WBVHZDCISA-N 2 2 274.452 3.470 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)n1C ZINC000657386720 419267408 /nfs/dbraw/zinc/26/74/08/419267408.db2.gz KQVCMDBXWITLBP-WCQYABFASA-N 2 2 289.345 3.187 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)c1ccc(F)cc1F ZINC000656682486 419200332 /nfs/dbraw/zinc/20/03/32/419200332.db2.gz SLTQZRQYLHNSEW-IAQYHMDHSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000666227328 419200382 /nfs/dbraw/zinc/20/03/82/419200382.db2.gz FCKWQWBAPPOXFG-XNISGKROSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000666227328 419200386 /nfs/dbraw/zinc/20/03/86/419200386.db2.gz FCKWQWBAPPOXFG-XNISGKROSA-N 2 2 294.389 3.455 20 0 CGADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000656784602 419218470 /nfs/dbraw/zinc/21/84/70/419218470.db2.gz FFWMLUKYIKRFCS-RDJZCZTQSA-N 2 2 260.425 3.166 20 0 CGADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000656784602 419218473 /nfs/dbraw/zinc/21/84/73/419218473.db2.gz FFWMLUKYIKRFCS-RDJZCZTQSA-N 2 2 260.425 3.166 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785473 419219225 /nfs/dbraw/zinc/21/92/25/419219225.db2.gz PIEVSXNMSVERPP-DNVCBOLYSA-N 2 2 295.430 3.194 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785473 419219227 /nfs/dbraw/zinc/21/92/27/419219227.db2.gz PIEVSXNMSVERPP-DNVCBOLYSA-N 2 2 295.430 3.194 20 0 CGADLP Cc1c[nH]c(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)[nH+]1 ZINC000657418651 419274088 /nfs/dbraw/zinc/27/40/88/419274088.db2.gz QWJFCXAOSPABAE-UHFFFAOYSA-N 2 2 281.363 3.094 20 0 CGADLP c1[nH+]c2n(c1CNc1ccc(C3CCC3)c[nH+]1)CCC2 ZINC000657475755 419286857 /nfs/dbraw/zinc/28/68/57/419286857.db2.gz FGPBLASZWUPKRG-UHFFFAOYSA-N 2 2 268.364 3.104 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@H](C)C1 ZINC000657486495 419291013 /nfs/dbraw/zinc/29/10/13/419291013.db2.gz CKCVAZKXBKJBPG-IHRRRGAJSA-N 2 2 261.413 3.134 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1F ZINC000657499740 419295252 /nfs/dbraw/zinc/29/52/52/419295252.db2.gz CJORAFLUPVZRKI-HNNXBMFYSA-N 2 2 261.344 3.109 20 0 CGADLP Fc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657500177 419295625 /nfs/dbraw/zinc/29/56/25/419295625.db2.gz ILQXTTVNHCWRBO-UHFFFAOYSA-N 2 2 299.393 3.180 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CC2CCC1CC2 ZINC000657503435 419296567 /nfs/dbraw/zinc/29/65/67/419296567.db2.gz ITARNIHUCNXNEJ-WLIAPVHPSA-N 2 2 273.424 3.134 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527738 419298412 /nfs/dbraw/zinc/29/84/12/419298412.db2.gz YHFMILFZUXSOMV-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527738 419298414 /nfs/dbraw/zinc/29/84/14/419298414.db2.gz YHFMILFZUXSOMV-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564380 419306119 /nfs/dbraw/zinc/30/61/19/419306119.db2.gz UPWQXJIEMLQADS-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564380 419306122 /nfs/dbraw/zinc/30/61/22/419306122.db2.gz UPWQXJIEMLQADS-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562396 419306153 /nfs/dbraw/zinc/30/61/53/419306153.db2.gz HUGVJCCEWCDXEW-BBRMVZONSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562396 419306156 /nfs/dbraw/zinc/30/61/56/419306156.db2.gz HUGVJCCEWCDXEW-BBRMVZONSA-N 2 2 278.415 3.392 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661999148 419322107 /nfs/dbraw/zinc/32/21/07/419322107.db2.gz RSPZHCNXDVTMHT-IUDNXUCKSA-N 2 2 264.388 3.439 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000657733718 419333307 /nfs/dbraw/zinc/33/33/07/419333307.db2.gz LPKMJUDHRDFTFS-WNRNVDISSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000657733718 419333310 /nfs/dbraw/zinc/33/33/10/419333310.db2.gz LPKMJUDHRDFTFS-WNRNVDISSA-N 2 2 284.447 3.428 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c3ncccc3c2)C1 ZINC000657742523 419335714 /nfs/dbraw/zinc/33/57/14/419335714.db2.gz SDYGQTHTHLALNP-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c3ncccc3c2)C1 ZINC000657742523 419335715 /nfs/dbraw/zinc/33/57/15/419335715.db2.gz SDYGQTHTHLALNP-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657751788 419336593 /nfs/dbraw/zinc/33/65/93/419336593.db2.gz KIIVKHJSORTLPC-JFIYKMOQSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C3CC3)C3CC3)n2c1 ZINC000657756618 419338099 /nfs/dbraw/zinc/33/80/99/419338099.db2.gz VQZYJPMCLUHAET-UHFFFAOYSA-N 2 2 269.392 3.311 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000657859721 419393048 /nfs/dbraw/zinc/39/30/48/419393048.db2.gz XGSKZDAOKWNKKK-NVXWUHKLSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCn1cc[nH+]c1 ZINC000657817344 419367306 /nfs/dbraw/zinc/36/73/06/419367306.db2.gz NTNFNWFSCGRVBM-MRXNPFEDSA-N 2 2 297.446 3.373 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657820678 419369775 /nfs/dbraw/zinc/36/97/75/419369775.db2.gz JGUWIMQNKOLYMA-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657820678 419369778 /nfs/dbraw/zinc/36/97/78/419369778.db2.gz JGUWIMQNKOLYMA-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc2ccncc2s1 ZINC000657826482 419374323 /nfs/dbraw/zinc/37/43/23/419374323.db2.gz UTCIQCHWHFSQJJ-GFCCVEGCSA-N 2 2 275.421 3.043 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657836336 419381307 /nfs/dbraw/zinc/38/13/07/419381307.db2.gz KMCWNKWSKSMKLK-VXGBXAGGSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657836336 419381310 /nfs/dbraw/zinc/38/13/10/419381310.db2.gz KMCWNKWSKSMKLK-VXGBXAGGSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2cnccc2o1 ZINC000657842427 419382761 /nfs/dbraw/zinc/38/27/61/419382761.db2.gz DLVPDFQIAQTRKX-ZDUSSCGKSA-N 2 2 284.363 3.155 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC34CC4)cn21 ZINC000658044399 419520696 /nfs/dbraw/zinc/52/06/96/419520696.db2.gz ZMNJTLAUPDNVBW-OAHLLOKOSA-N 2 2 269.392 3.108 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000658054301 419525026 /nfs/dbraw/zinc/52/50/26/419525026.db2.gz DCBDLZJYZRAPRF-HZPDHXFCSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000658054301 419525030 /nfs/dbraw/zinc/52/50/30/419525030.db2.gz DCBDLZJYZRAPRF-HZPDHXFCSA-N 2 2 292.854 3.270 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054579 419525774 /nfs/dbraw/zinc/52/57/74/419525774.db2.gz FJFNRTFNRSMCAG-GUYCJALGSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054579 419525780 /nfs/dbraw/zinc/52/57/80/419525780.db2.gz FJFNRTFNRSMCAG-GUYCJALGSA-N 2 2 288.435 3.240 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658079415 419549094 /nfs/dbraw/zinc/54/90/94/419549094.db2.gz YWWCPBMBNBIMOP-QBIMZIAESA-N 2 2 290.426 3.219 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658079415 419549104 /nfs/dbraw/zinc/54/91/04/419549104.db2.gz YWWCPBMBNBIMOP-QBIMZIAESA-N 2 2 290.426 3.219 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000658089509 419561061 /nfs/dbraw/zinc/56/10/61/419561061.db2.gz VVYIQZSEFZNZHU-VBQJREDUSA-N 2 2 290.426 3.280 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000658089509 419561069 /nfs/dbraw/zinc/56/10/69/419561069.db2.gz VVYIQZSEFZNZHU-VBQJREDUSA-N 2 2 290.426 3.280 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000658092836 419568856 /nfs/dbraw/zinc/56/88/56/419568856.db2.gz RPPQDESTLPYQEO-ZBFHGGJFSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000658092836 419568860 /nfs/dbraw/zinc/56/88/60/419568860.db2.gz RPPQDESTLPYQEO-ZBFHGGJFSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092353 419566406 /nfs/dbraw/zinc/56/64/06/419566406.db2.gz PVUVWGUMTWYYMG-JKSUJKDBSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092353 419566412 /nfs/dbraw/zinc/56/64/12/419566412.db2.gz PVUVWGUMTWYYMG-JKSUJKDBSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000663498187 419635929 /nfs/dbraw/zinc/63/59/29/419635929.db2.gz MNXYHTDFCGJNIQ-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000658094816 419570988 /nfs/dbraw/zinc/57/09/88/419570988.db2.gz BAHXYHICMGGABJ-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000658094816 419570992 /nfs/dbraw/zinc/57/09/92/419570992.db2.gz BAHXYHICMGGABJ-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095815 419572253 /nfs/dbraw/zinc/57/22/53/419572253.db2.gz MMVMBFXLUXJNCA-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095815 419572259 /nfs/dbraw/zinc/57/22/59/419572259.db2.gz MMVMBFXLUXJNCA-GHMZBOCLSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095612 419574063 /nfs/dbraw/zinc/57/40/63/419574063.db2.gz JSOZFNHPEQVUJA-GHMZBOCLSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095612 419574068 /nfs/dbraw/zinc/57/40/68/419574068.db2.gz JSOZFNHPEQVUJA-GHMZBOCLSA-N 2 2 262.388 3.129 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000663506342 419640038 /nfs/dbraw/zinc/64/00/38/419640038.db2.gz CTOVYUOGZVSYTB-AWEZNQCLSA-N 2 2 270.376 3.176 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1[nH+]ccc2c(N)cccc21 ZINC000663658964 419666461 /nfs/dbraw/zinc/66/64/61/419666461.db2.gz ZMVOUMFSJMLWRY-UHFFFAOYSA-N 2 2 295.390 3.282 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284307 419730412 /nfs/dbraw/zinc/73/04/12/419730412.db2.gz FMPMJXLSTJPWLZ-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284307 419730421 /nfs/dbraw/zinc/73/04/21/419730421.db2.gz FMPMJXLSTJPWLZ-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265131 419718112 /nfs/dbraw/zinc/71/81/12/419718112.db2.gz KQRAEVYGSYPRDG-PKKNCYCMSA-N 2 2 284.394 3.027 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265131 419718118 /nfs/dbraw/zinc/71/81/18/419718118.db2.gz KQRAEVYGSYPRDG-PKKNCYCMSA-N 2 2 284.394 3.027 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000085379773 260203292 /nfs/dbraw/zinc/20/32/92/260203292.db2.gz UXLFZWCEKREFIX-YESZJQIVSA-N 2 2 290.451 3.083 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000393807389 262192126 /nfs/dbraw/zinc/19/21/26/262192126.db2.gz XJMJFEXWSFQHMH-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000393807389 262192128 /nfs/dbraw/zinc/19/21/28/262192128.db2.gz XJMJFEXWSFQHMH-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000221885090 262315288 /nfs/dbraw/zinc/31/52/88/262315288.db2.gz LYPJFLRVNMJUKE-OAHLLOKOSA-N 2 2 278.415 3.222 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000045105477 270038193 /nfs/dbraw/zinc/03/81/93/270038193.db2.gz WVTCPIJBLREUDJ-MRXNPFEDSA-N 2 2 257.381 3.404 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1nc(C)cs1 ZINC000191824503 270076329 /nfs/dbraw/zinc/07/63/29/270076329.db2.gz OEBBAOKJYQBQGO-CYBMUJFWSA-N 2 2 269.458 3.224 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227870723 270087476 /nfs/dbraw/zinc/08/74/76/270087476.db2.gz ZEXIFSBEMQKBJH-OIISXLGYSA-N 2 2 264.457 3.419 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000354175630 270095557 /nfs/dbraw/zinc/09/55/57/270095557.db2.gz FXORVZWQTJQWBL-INIZCTEOSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000354175630 270095558 /nfs/dbraw/zinc/09/55/58/270095558.db2.gz FXORVZWQTJQWBL-INIZCTEOSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000354175630 270095559 /nfs/dbraw/zinc/09/55/59/270095559.db2.gz FXORVZWQTJQWBL-INIZCTEOSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000354175630 270095560 /nfs/dbraw/zinc/09/55/60/270095560.db2.gz FXORVZWQTJQWBL-INIZCTEOSA-N 2 2 293.480 3.013 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000521583066 270102593 /nfs/dbraw/zinc/10/25/93/270102593.db2.gz ATGZJVIXRFLWGW-AWEZNQCLSA-N 2 2 293.480 3.421 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])c2ccsc2S1 ZINC000335599202 274613988 /nfs/dbraw/zinc/61/39/88/274613988.db2.gz PCEOODJQBNHPJN-WCBMZHEXSA-N 2 2 256.440 3.000 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751455 270134455 /nfs/dbraw/zinc/13/44/55/270134455.db2.gz HTXLDAQHRJTMBG-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751455 270134456 /nfs/dbraw/zinc/13/44/56/270134456.db2.gz HTXLDAQHRJTMBG-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CO2 ZINC000527808885 270137532 /nfs/dbraw/zinc/13/75/32/270137532.db2.gz QLVWDHYYUHUSOE-GOSISDBHSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CO2 ZINC000527808885 270137533 /nfs/dbraw/zinc/13/75/33/270137533.db2.gz QLVWDHYYUHUSOE-GOSISDBHSA-N 2 2 298.430 3.069 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808059 270137750 /nfs/dbraw/zinc/13/77/50/270137750.db2.gz PNUFYCZYSDYARL-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808059 270137751 /nfs/dbraw/zinc/13/77/51/270137751.db2.gz PNUFYCZYSDYARL-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP c1cc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2[nH]1 ZINC000527812508 270137858 /nfs/dbraw/zinc/13/78/58/270137858.db2.gz ULZZXTDNEBVCKI-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2[nH]1 ZINC000527812508 270137859 /nfs/dbraw/zinc/13/78/59/270137859.db2.gz ULZZXTDNEBVCKI-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP COc1ccc[nH+]c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000527874506 270141434 /nfs/dbraw/zinc/14/14/34/270141434.db2.gz ZLFVYTJZAYLHQO-UHFFFAOYSA-N 2 2 289.423 3.157 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC12CC2 ZINC000527846352 270139537 /nfs/dbraw/zinc/13/95/37/270139537.db2.gz FFEADIQIWZZVGT-WMLDXEAASA-N 2 2 281.403 3.210 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c1 ZINC000527893467 270142562 /nfs/dbraw/zinc/14/25/62/270142562.db2.gz QOEYHTCQEICEGG-SJLPKXTDSA-N 2 2 283.419 3.493 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527946946 270146155 /nfs/dbraw/zinc/14/61/55/270146155.db2.gz IZVUCFICKIQAIX-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527946946 270146156 /nfs/dbraw/zinc/14/61/56/270146156.db2.gz IZVUCFICKIQAIX-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527950772 270146318 /nfs/dbraw/zinc/14/63/18/270146318.db2.gz PDJIEYRTPQJARC-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527950772 270146319 /nfs/dbraw/zinc/14/63/19/270146319.db2.gz PDJIEYRTPQJARC-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952682 270146612 /nfs/dbraw/zinc/14/66/12/270146612.db2.gz VCFOVQNXALIBBU-QMCVQRASSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952682 270146613 /nfs/dbraw/zinc/14/66/13/270146613.db2.gz VCFOVQNXALIBBU-QMCVQRASSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002169 270150162 /nfs/dbraw/zinc/15/01/62/270150162.db2.gz PHJVFTZNKWLIMM-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002169 270150163 /nfs/dbraw/zinc/15/01/63/270150163.db2.gz PHJVFTZNKWLIMM-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014257 270151569 /nfs/dbraw/zinc/15/15/69/270151569.db2.gz UIQQFGZBNIJDRD-GDBMZVCRSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014257 270151570 /nfs/dbraw/zinc/15/15/70/270151570.db2.gz UIQQFGZBNIJDRD-GDBMZVCRSA-N 2 2 273.424 3.058 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528015910 270151627 /nfs/dbraw/zinc/15/16/27/270151627.db2.gz ZZMMPAFHJOLAFK-CVEARBPZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528015910 270151628 /nfs/dbraw/zinc/15/16/28/270151628.db2.gz ZZMMPAFHJOLAFK-CVEARBPZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC(F)(F)C1 ZINC000529534817 270183087 /nfs/dbraw/zinc/18/30/87/270183087.db2.gz QJMCZVBYEICTNF-LBPRGKRZSA-N 2 2 295.377 3.074 20 0 CGADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529642338 270186912 /nfs/dbraw/zinc/18/69/12/270186912.db2.gz VCFOVQNXALIBBU-BSWAZPDLSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529642338 270186913 /nfs/dbraw/zinc/18/69/13/270186913.db2.gz VCFOVQNXALIBBU-BSWAZPDLSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529642341 270186980 /nfs/dbraw/zinc/18/69/80/270186980.db2.gz VCFOVQNXALIBBU-SIXLDLHFSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529642341 270186981 /nfs/dbraw/zinc/18/69/81/270186981.db2.gz VCFOVQNXALIBBU-SIXLDLHFSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530216005 270195800 /nfs/dbraw/zinc/19/58/00/270195800.db2.gz LOBZEDOEFRODHT-LSDHHAIUSA-N 2 2 262.372 3.151 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1F ZINC000530216600 270195880 /nfs/dbraw/zinc/19/58/80/270195880.db2.gz BXJAWRAPRCWQGP-GJZGRUSLSA-N 2 2 280.362 3.290 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220363 270196208 /nfs/dbraw/zinc/19/62/08/270196208.db2.gz NRWHXFARLGOMST-CJNGLKHVSA-N 2 2 274.408 3.021 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000531735598 270209277 /nfs/dbraw/zinc/20/92/77/270209277.db2.gz GXAMKEDEAFQUFF-YQQAZPJKSA-N 2 2 290.451 3.212 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000531735598 270209278 /nfs/dbraw/zinc/20/92/78/270209278.db2.gz GXAMKEDEAFQUFF-YQQAZPJKSA-N 2 2 290.451 3.212 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000531980190 270211887 /nfs/dbraw/zinc/21/18/87/270211887.db2.gz BMDSJUONPMTBOF-SFHVURJKSA-N 2 2 286.463 3.110 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000531992273 270212195 /nfs/dbraw/zinc/21/21/95/270212195.db2.gz OAJSWCISLXBZGR-FSPWUOQZSA-N 2 2 284.447 3.481 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000531992273 270212196 /nfs/dbraw/zinc/21/21/96/270212196.db2.gz OAJSWCISLXBZGR-FSPWUOQZSA-N 2 2 284.447 3.481 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531991938 270212509 /nfs/dbraw/zinc/21/25/09/270212509.db2.gz AGSDPAHKBXSFHL-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531991938 270212510 /nfs/dbraw/zinc/21/25/10/270212510.db2.gz AGSDPAHKBXSFHL-SSKCKEOISA-N 2 2 290.838 3.400 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514534 270216325 /nfs/dbraw/zinc/21/63/25/270216325.db2.gz DMSQFVOBLQKJLM-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514534 270216326 /nfs/dbraw/zinc/21/63/26/270216326.db2.gz DMSQFVOBLQKJLM-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000532502872 270216473 /nfs/dbraw/zinc/21/64/73/270216473.db2.gz UCNKJPBMMGPWSZ-CRAIPNDOSA-N 2 2 274.452 3.282 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000532502872 270216474 /nfs/dbraw/zinc/21/64/74/270216474.db2.gz UCNKJPBMMGPWSZ-CRAIPNDOSA-N 2 2 274.452 3.282 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532501112 270216503 /nfs/dbraw/zinc/21/65/03/270216503.db2.gz HHEFJYQMXLAGHC-LZWOXQAQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532501112 270216504 /nfs/dbraw/zinc/21/65/04/270216504.db2.gz HHEFJYQMXLAGHC-LZWOXQAQSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000532502875 270216617 /nfs/dbraw/zinc/21/66/17/270216617.db2.gz UCNKJPBMMGPWSZ-YJBOKZPZSA-N 2 2 274.452 3.282 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000532502875 270216618 /nfs/dbraw/zinc/21/66/18/270216618.db2.gz UCNKJPBMMGPWSZ-YJBOKZPZSA-N 2 2 274.452 3.282 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000532532371 270217086 /nfs/dbraw/zinc/21/70/86/270217086.db2.gz BBFFOCAYGBHAHN-BHIYHBOVSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000532532371 270217087 /nfs/dbraw/zinc/21/70/87/270217087.db2.gz BBFFOCAYGBHAHN-BHIYHBOVSA-N 2 2 286.463 3.329 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129826 279359915 /nfs/dbraw/zinc/35/99/15/279359915.db2.gz AGDCTYMWFMOSSI-RYUDHWBXSA-N 2 2 266.351 3.037 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423439992 274117539 /nfs/dbraw/zinc/11/75/39/274117539.db2.gz VRCSAVUEPGNKIG-IFXJQAMLSA-N 2 2 296.414 3.233 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@H]1CCCC[NH2+]1 ZINC000423055770 274261951 /nfs/dbraw/zinc/26/19/51/274261951.db2.gz XCHVMNRHUXXYIT-BNOWGMLFSA-N 2 2 264.438 3.246 20 0 CGADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336484678 274636777 /nfs/dbraw/zinc/63/67/77/274636777.db2.gz UHPAVGGIGLEMJI-CXAGYDPISA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000488434622 275714452 /nfs/dbraw/zinc/71/44/52/275714452.db2.gz QEHFGJRGZSPAND-LSDHHAIUSA-N 2 2 284.513 3.371 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423403124 275816147 /nfs/dbraw/zinc/81/61/47/275816147.db2.gz YUSYOEKUZBQSKQ-NVXWUHKLSA-N 2 2 288.435 3.137 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427879872 275879328 /nfs/dbraw/zinc/87/93/28/275879328.db2.gz UTTMXQMFSVRBIW-JYJNAYRXSA-N 2 2 275.440 3.392 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061324762 276174775 /nfs/dbraw/zinc/17/47/75/276174775.db2.gz GNZSIOXYHCJOBC-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061324762 276174776 /nfs/dbraw/zinc/17/47/76/276174776.db2.gz GNZSIOXYHCJOBC-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000352836713 276185992 /nfs/dbraw/zinc/18/59/92/276185992.db2.gz WYBIQKXXDJTJQC-OWLYRPNTSA-N 2 2 294.483 3.068 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000352836713 276185994 /nfs/dbraw/zinc/18/59/94/276185994.db2.gz WYBIQKXXDJTJQC-OWLYRPNTSA-N 2 2 294.483 3.068 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000490312092 276243388 /nfs/dbraw/zinc/24/33/88/276243388.db2.gz DAEOKAHOIJERPP-JLSDUUJJSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000490312092 276243389 /nfs/dbraw/zinc/24/33/89/276243389.db2.gz DAEOKAHOIJERPP-JLSDUUJJSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000475510438 276243488 /nfs/dbraw/zinc/24/34/88/276243488.db2.gz ILCYVJILSBUGCD-DQYPLSBCSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000475510438 276243489 /nfs/dbraw/zinc/24/34/89/276243489.db2.gz ILCYVJILSBUGCD-DQYPLSBCSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000355529800 276252699 /nfs/dbraw/zinc/25/26/99/276252699.db2.gz ILCYVJILSBUGCD-AFAVFJNCSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000355529800 276252700 /nfs/dbraw/zinc/25/27/00/276252700.db2.gz ILCYVJILSBUGCD-AFAVFJNCSA-N 2 2 276.399 3.133 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000484501400 276284223 /nfs/dbraw/zinc/28/42/23/276284223.db2.gz DTBBSJYYGYRPKM-DARAHFNDSA-N 2 2 252.446 3.274 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000484501400 276284224 /nfs/dbraw/zinc/28/42/24/276284224.db2.gz DTBBSJYYGYRPKM-DARAHFNDSA-N 2 2 252.446 3.274 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000452053276 276336867 /nfs/dbraw/zinc/33/68/67/276336867.db2.gz OJUNBJBEBOGXQK-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000452053276 276336868 /nfs/dbraw/zinc/33/68/68/276336868.db2.gz OJUNBJBEBOGXQK-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155858757 276376071 /nfs/dbraw/zinc/37/60/71/276376071.db2.gz OIICBQWJWXQGNI-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155858757 276376072 /nfs/dbraw/zinc/37/60/72/276376072.db2.gz OIICBQWJWXQGNI-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCCOCC1 ZINC000442868463 276804533 /nfs/dbraw/zinc/80/45/33/276804533.db2.gz NVZRCMNJXGTTNR-KRWDZBQOSA-N 2 2 294.483 3.191 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000340525328 277173133 /nfs/dbraw/zinc/17/31/33/277173133.db2.gz HOUJLNVMLDHHHT-MWDXBVQZSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000340525328 277173136 /nfs/dbraw/zinc/17/31/36/277173136.db2.gz HOUJLNVMLDHHHT-MWDXBVQZSA-N 2 2 276.399 3.302 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000053032133 277286407 /nfs/dbraw/zinc/28/64/07/277286407.db2.gz CHEOQTIBGOLCAO-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000053032133 277286410 /nfs/dbraw/zinc/28/64/10/277286410.db2.gz CHEOQTIBGOLCAO-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC12CCC2)[NH+]1CCCCC1 ZINC000337386443 277303365 /nfs/dbraw/zinc/30/33/65/277303365.db2.gz HZDLDZATTQSZGH-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCCC(C)(C)C ZINC000347278910 278082971 /nfs/dbraw/zinc/08/29/71/278082971.db2.gz FIXKYUJAURTYBL-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCCC(C)(C)C ZINC000347278910 278082972 /nfs/dbraw/zinc/08/29/72/278082972.db2.gz FIXKYUJAURTYBL-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494524818 278166717 /nfs/dbraw/zinc/16/67/17/278166717.db2.gz FQUHUWDVMIWYOL-VBQJREDUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494524818 278166718 /nfs/dbraw/zinc/16/67/18/278166718.db2.gz FQUHUWDVMIWYOL-VBQJREDUSA-N 2 2 264.457 3.418 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422879900 278169638 /nfs/dbraw/zinc/16/96/38/278169638.db2.gz WBUDVPDHMGIACC-DZGCQCFKSA-N 2 2 278.465 3.337 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000348332639 278178336 /nfs/dbraw/zinc/17/83/36/278178336.db2.gz MKHXAMGGYNRWGP-HYVNUMGLSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000081222196 278219677 /nfs/dbraw/zinc/21/96/77/278219677.db2.gz LBKCPGHJIVRAQG-CYBMUJFWSA-N 2 2 277.799 3.147 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397632346 288025716 /nfs/dbraw/zinc/02/57/16/288025716.db2.gz VWDQPOGOILHFCP-OCCSQVGLSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221310 278262053 /nfs/dbraw/zinc/26/20/53/278262053.db2.gz OIXZJRVKWZBNHW-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221310 278262055 /nfs/dbraw/zinc/26/20/55/278262055.db2.gz OIXZJRVKWZBNHW-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397926757 288034954 /nfs/dbraw/zinc/03/49/54/288034954.db2.gz OJUZKRCMIMABPQ-XJKSGUPXSA-N 2 2 258.409 3.309 20 0 CGADLP CC[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397924389 288034973 /nfs/dbraw/zinc/03/49/73/288034973.db2.gz BBIDDNJRHMJUBB-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CC[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397924389 288034974 /nfs/dbraw/zinc/03/49/74/288034974.db2.gz BBIDDNJRHMJUBB-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C ZINC000479864210 278353620 /nfs/dbraw/zinc/35/36/20/278353620.db2.gz IHTAWDSGJYNYGO-ZBFHGGJFSA-N 2 2 262.441 3.184 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H]1CCCC[NH2+]1 ZINC000423055773 278372318 /nfs/dbraw/zinc/37/23/18/278372318.db2.gz XCHVMNRHUXXYIT-MRVWCRGKSA-N 2 2 264.438 3.246 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423301639 278724919 /nfs/dbraw/zinc/72/49/19/278724919.db2.gz UGAGAUUETKIHCO-YGRLFVJLSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000423188599 279003375 /nfs/dbraw/zinc/00/33/75/279003375.db2.gz LSDVENSIVQZKET-CHWSQXEVSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000482461498 288098933 /nfs/dbraw/zinc/09/89/33/288098933.db2.gz SOQLMNGOFRSLNG-JLZZUVOBSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000482461498 288098935 /nfs/dbraw/zinc/09/89/35/288098935.db2.gz SOQLMNGOFRSLNG-JLZZUVOBSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000462673017 288102179 /nfs/dbraw/zinc/10/21/79/288102179.db2.gz HFLKQIIPSMIDBH-QXSJWSMHSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000462673017 288102182 /nfs/dbraw/zinc/10/21/82/288102182.db2.gz HFLKQIIPSMIDBH-QXSJWSMHSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286627 279320656 /nfs/dbraw/zinc/32/06/56/279320656.db2.gz SLPQSRFHAHAMQJ-KEYYUXOJSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286627 279320658 /nfs/dbraw/zinc/32/06/58/279320658.db2.gz SLPQSRFHAHAMQJ-KEYYUXOJSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286627 279320659 /nfs/dbraw/zinc/32/06/59/279320659.db2.gz SLPQSRFHAHAMQJ-KEYYUXOJSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286627 279320660 /nfs/dbraw/zinc/32/06/60/279320660.db2.gz SLPQSRFHAHAMQJ-KEYYUXOJSA-N 2 2 292.854 3.470 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129826 279359913 /nfs/dbraw/zinc/35/99/13/279359913.db2.gz AGDCTYMWFMOSSI-RYUDHWBXSA-N 2 2 266.351 3.037 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000352904052 288125155 /nfs/dbraw/zinc/12/51/55/288125155.db2.gz RALJTMJFMKFUQQ-IETPZCKNSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000352904052 288125158 /nfs/dbraw/zinc/12/51/58/288125158.db2.gz RALJTMJFMKFUQQ-IETPZCKNSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358257477 279368364 /nfs/dbraw/zinc/36/83/64/279368364.db2.gz UNMAUFJAHHUXKO-VKJFTORMSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000268808344 279388685 /nfs/dbraw/zinc/38/86/85/279388685.db2.gz JXHYUIBGZKTQBU-CZUORRHYSA-N 2 2 269.392 3.284 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@@H+]1C1CC1 ZINC000310870252 280009292 /nfs/dbraw/zinc/00/92/92/280009292.db2.gz PQLLJRPKIKSNBL-STQMWFEESA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@H+]1C1CC1 ZINC000310870252 280009294 /nfs/dbraw/zinc/00/92/94/280009294.db2.gz PQLLJRPKIKSNBL-STQMWFEESA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000527711142 288189384 /nfs/dbraw/zinc/18/93/84/288189384.db2.gz WGNCRBDKVTXKEE-RCBQFDQVSA-N 2 2 282.391 3.173 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439247 280034157 /nfs/dbraw/zinc/03/41/57/280034157.db2.gz SMIZERLPVKSVQG-SCLBCKFNSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H](C)C2 ZINC000491061293 281119232 /nfs/dbraw/zinc/11/92/32/281119232.db2.gz QSFLZJBEJZSDOW-QWQRMKEZSA-N 2 2 272.436 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H](C)C2 ZINC000491061293 281119233 /nfs/dbraw/zinc/11/92/33/281119233.db2.gz QSFLZJBEJZSDOW-QWQRMKEZSA-N 2 2 272.436 3.301 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000423505603 281459897 /nfs/dbraw/zinc/45/98/97/281459897.db2.gz OOPKTUHFACCYOQ-CXAGYDPISA-N 2 2 292.492 3.370 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)CCC2 ZINC000370675532 281547926 /nfs/dbraw/zinc/54/79/26/281547926.db2.gz FSRKYNCMYGUONP-CYBMUJFWSA-N 2 2 291.345 3.137 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000531703364 288341067 /nfs/dbraw/zinc/34/10/67/288341067.db2.gz OPDZXEONOOTOMS-AEFFLSMTSA-N 2 2 270.420 3.354 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531703364 288341068 /nfs/dbraw/zinc/34/10/68/288341068.db2.gz OPDZXEONOOTOMS-AEFFLSMTSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000531702096 288341101 /nfs/dbraw/zinc/34/11/01/288341101.db2.gz XEJPWWXAHDINMY-CQSZACIVSA-N 2 2 285.391 3.044 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707205 288341716 /nfs/dbraw/zinc/34/17/16/288341716.db2.gz DOOXBUOSVDVUPB-BBRMVZONSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707205 288341719 /nfs/dbraw/zinc/34/17/19/288341719.db2.gz DOOXBUOSVDVUPB-BBRMVZONSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707206 288341751 /nfs/dbraw/zinc/34/17/51/288341751.db2.gz DOOXBUOSVDVUPB-CJNGLKHVSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707206 288341753 /nfs/dbraw/zinc/34/17/53/288341753.db2.gz DOOXBUOSVDVUPB-CJNGLKHVSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707207 288341779 /nfs/dbraw/zinc/34/17/79/288341779.db2.gz DOOXBUOSVDVUPB-CZUORRHYSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707207 288341782 /nfs/dbraw/zinc/34/17/82/288341782.db2.gz DOOXBUOSVDVUPB-CZUORRHYSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000532194756 288354602 /nfs/dbraw/zinc/35/46/02/288354602.db2.gz QIPURBXDLDVKHX-YOEHRIQHSA-N 2 2 269.392 3.186 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000532222907 288356267 /nfs/dbraw/zinc/35/62/67/288356267.db2.gz RBNOALHMFBJOTR-QGZVFWFLSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000532244247 288358130 /nfs/dbraw/zinc/35/81/30/288358130.db2.gz KWIWOSPSCATGJW-ILXRZTDVSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000532246196 288358635 /nfs/dbraw/zinc/35/86/35/288358635.db2.gz RTYQUKOOLCURIA-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000532246196 288358636 /nfs/dbraw/zinc/35/86/36/288358636.db2.gz RTYQUKOOLCURIA-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192671360 281819820 /nfs/dbraw/zinc/81/98/20/281819820.db2.gz CTSMGMHPERCUMS-GOSISDBHSA-N 2 2 287.451 3.255 20 0 CGADLP Cc1cccn2c(C[NH+]3CCc4ccccc4CC3)c[nH+]c12 ZINC000537630235 288540364 /nfs/dbraw/zinc/54/03/64/288540364.db2.gz NSSFPQXKWLTZFT-UHFFFAOYSA-N 2 2 291.398 3.244 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCCCNc1cccc[nH+]1 ZINC000539186212 288606642 /nfs/dbraw/zinc/60/66/42/288606642.db2.gz UHNOCZFJHXQDTF-UHFFFAOYSA-N 2 2 292.386 3.274 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000540589003 288661574 /nfs/dbraw/zinc/66/15/74/288661574.db2.gz MAFKVHGXJQDJAV-HNNXBMFYSA-N 2 2 287.407 3.411 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(CC)CC ZINC000540595903 288662956 /nfs/dbraw/zinc/66/29/56/288662956.db2.gz GOFCEQRZRIRTJU-HOTGVXAUSA-N 2 2 293.455 3.237 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548623067 289013617 /nfs/dbraw/zinc/01/36/17/289013617.db2.gz GQVWMRXFFYQPTA-UONOGXRCSA-N 2 2 261.413 3.004 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000552045995 289154574 /nfs/dbraw/zinc/15/45/74/289154574.db2.gz VDXBUGDIRQCXDS-KBMXLJTQSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000552045995 289154576 /nfs/dbraw/zinc/15/45/76/289154576.db2.gz VDXBUGDIRQCXDS-KBMXLJTQSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000552224227 289173101 /nfs/dbraw/zinc/17/31/01/289173101.db2.gz OJBZUKARWRPYNT-HZPDHXFCSA-N 2 2 273.424 3.075 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423385972 295399754 /nfs/dbraw/zinc/39/97/54/295399754.db2.gz LATXIVAIQGSSLG-BBRMVZONSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338000495 298577800 /nfs/dbraw/zinc/57/78/00/298577800.db2.gz QDIJAAUEGHMJDQ-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)c2sccc21 ZINC000453081940 300041825 /nfs/dbraw/zinc/04/18/25/300041825.db2.gz KLSATRKKRBXOQJ-GXTWGEPZSA-N 2 2 264.438 3.372 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCCO2 ZINC000423322677 301285329 /nfs/dbraw/zinc/28/53/29/301285329.db2.gz ODGALQCGUABNFW-HUUCEWRRSA-N 2 2 294.826 3.189 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423178587 301285626 /nfs/dbraw/zinc/28/56/26/301285626.db2.gz CBKNVZFAWZEJIB-IUODEOHRSA-N 2 2 294.826 3.204 20 0 CGADLP CC[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153959159 321731553 /nfs/dbraw/zinc/73/15/53/321731553.db2.gz BDBOWSDMZKPIRY-JKSUJKDBSA-N 2 2 290.451 3.275 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000157099372 321790242 /nfs/dbraw/zinc/79/02/42/321790242.db2.gz ATPRNIZYYLPKSP-UHFFFAOYSA-N 2 2 266.351 3.181 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000563548598 322002619 /nfs/dbraw/zinc/00/26/19/322002619.db2.gz IVAQRLDDSIJXTC-UHFFFAOYSA-N 2 2 289.810 3.070 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)Cc2ccccc2C)n1C ZINC000564470794 322032396 /nfs/dbraw/zinc/03/23/96/322032396.db2.gz KHBHXEQEWSZZQV-UHFFFAOYSA-N 2 2 271.408 3.148 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000564913781 322049582 /nfs/dbraw/zinc/04/95/82/322049582.db2.gz ZNYCKTRQATWOFY-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000564913781 322049585 /nfs/dbraw/zinc/04/95/85/322049585.db2.gz ZNYCKTRQATWOFY-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1[nH]c(CNc2cc(C[NH+](C)C)ccc2C)[nH+]c1C ZINC000565239572 322069222 /nfs/dbraw/zinc/06/92/22/322069222.db2.gz XDSZDPSKUYKHSO-UHFFFAOYSA-N 2 2 272.396 3.009 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2Cl)n1C ZINC000565963182 322098952 /nfs/dbraw/zinc/09/89/52/322098952.db2.gz RPWGCSSQBVFVTH-SNVBAGLBSA-N 2 2 263.772 3.233 20 0 CGADLP C([NH2+][C@@H]1CCCC12CC2)C1([NH+]2CCSCC2)CCCC1 ZINC000568654616 322217758 /nfs/dbraw/zinc/21/77/58/322217758.db2.gz TVRAJQSVTBCWAG-OAHLLOKOSA-N 2 2 294.508 3.270 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)n1C ZINC000568883762 322226405 /nfs/dbraw/zinc/22/64/05/322226405.db2.gz SVYANNNPFXTMHX-QCTRAFQOSA-N 2 2 261.413 3.033 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000569914320 322260236 /nfs/dbraw/zinc/26/02/36/322260236.db2.gz BSMLXNXTPDORBH-KDOFPFPSSA-N 2 2 287.451 3.081 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000569914320 322260237 /nfs/dbraw/zinc/26/02/37/322260237.db2.gz BSMLXNXTPDORBH-KDOFPFPSSA-N 2 2 287.451 3.081 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000570009206 322262763 /nfs/dbraw/zinc/26/27/63/322262763.db2.gz SGIDLTGYWZBESG-AOIWGVFYSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000570009206 322262764 /nfs/dbraw/zinc/26/27/64/322262764.db2.gz SGIDLTGYWZBESG-AOIWGVFYSA-N 2 2 286.463 3.424 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[NH+]1CCCC1 ZINC000570030905 322263328 /nfs/dbraw/zinc/26/33/28/322263328.db2.gz NGXKRVMKJOBOQP-SZMVWBNQSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccc(C)c2)n1C ZINC000571106707 322290347 /nfs/dbraw/zinc/29/03/47/322290347.db2.gz OHSSFVKPOCAEGY-UHFFFAOYSA-N 2 2 257.381 3.062 20 0 CGADLP CC[C@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000571397254 322297536 /nfs/dbraw/zinc/29/75/36/322297536.db2.gz YSCOJVILSMWMGQ-WBVHZDCISA-N 2 2 290.451 3.011 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000572303843 322330693 /nfs/dbraw/zinc/33/06/93/322330693.db2.gz YZLPYTBFVJNQGA-IACUBPJLSA-N 2 2 292.427 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572732000 322352296 /nfs/dbraw/zinc/35/22/96/322352296.db2.gz MDCDJKUIHSDRGY-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572732000 322352299 /nfs/dbraw/zinc/35/22/99/322352299.db2.gz MDCDJKUIHSDRGY-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Cl)cc2Cl)n1C ZINC000573816983 322408758 /nfs/dbraw/zinc/40/87/58/322408758.db2.gz LTRYBXKINIWEHC-UHFFFAOYSA-N 2 2 284.190 3.325 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(C)cc3C)CC2)n1C ZINC000574220887 322429984 /nfs/dbraw/zinc/42/99/84/322429984.db2.gz QXLZLMQYEIJZSZ-UHFFFAOYSA-N 2 2 283.419 3.167 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)o1 ZINC000582586145 329112626 /nfs/dbraw/zinc/11/26/26/329112626.db2.gz RUYVTLRXZZEPND-CABCVRRESA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)o1 ZINC000582586145 329112627 /nfs/dbraw/zinc/11/26/27/329112627.db2.gz RUYVTLRXZZEPND-CABCVRRESA-N 2 2 294.439 3.048 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1 ZINC000177243278 533710646 /nfs/dbraw/zinc/71/06/46/533710646.db2.gz VNZFJQRJYKBNQT-MRXNPFEDSA-N 2 2 298.430 3.478 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1 ZINC000177243278 533710639 /nfs/dbraw/zinc/71/06/39/533710639.db2.gz VNZFJQRJYKBNQT-MRXNPFEDSA-N 2 2 298.430 3.478 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)co2)cc1 ZINC000344258510 335242249 /nfs/dbraw/zinc/24/22/49/335242249.db2.gz IUNWHDAQUDIPNA-PBHICJAKSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)co2)cc1 ZINC000344258510 335242250 /nfs/dbraw/zinc/24/22/50/335242250.db2.gz IUNWHDAQUDIPNA-PBHICJAKSA-N 2 2 299.418 3.080 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000576805417 335249511 /nfs/dbraw/zinc/24/95/11/335249511.db2.gz WSKAFUQBVXRQOU-RWMBFGLXSA-N 2 2 295.496 3.479 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1F ZINC000577285967 335335670 /nfs/dbraw/zinc/33/56/70/335335670.db2.gz PTRZIBREQSSUFB-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)cc1F ZINC000577285967 335335673 /nfs/dbraw/zinc/33/56/73/335335673.db2.gz PTRZIBREQSSUFB-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000581326304 336049925 /nfs/dbraw/zinc/04/99/25/336049925.db2.gz QFYVMFVSYRMGQF-OKZBNKHCSA-N 2 2 274.452 3.184 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000581381079 336065784 /nfs/dbraw/zinc/06/57/84/336065784.db2.gz PCMNUSPRGFLRMH-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000581381079 336065783 /nfs/dbraw/zinc/06/57/83/336065783.db2.gz PCMNUSPRGFLRMH-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000382125557 336082231 /nfs/dbraw/zinc/08/22/31/336082231.db2.gz NOIKNOQORHANBR-SOUVJXGZSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000382125557 336082233 /nfs/dbraw/zinc/08/22/33/336082233.db2.gz NOIKNOQORHANBR-SOUVJXGZSA-N 2 2 264.438 3.416 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581621322 336114064 /nfs/dbraw/zinc/11/40/64/336114064.db2.gz LTKXIFTZQAOPCR-HOCLYGCPSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581621322 336114065 /nfs/dbraw/zinc/11/40/65/336114065.db2.gz LTKXIFTZQAOPCR-HOCLYGCPSA-N 2 2 269.392 3.279 20 0 CGADLP CC/C=C/C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384745011 336130249 /nfs/dbraw/zinc/13/02/49/336130249.db2.gz MQKZNJPODWGONH-NNTXTVRGSA-N 2 2 255.365 3.489 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000385451237 336146867 /nfs/dbraw/zinc/14/68/67/336146867.db2.gz ZCNFHSPLXSKBFG-INIZCTEOSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385950764 336163257 /nfs/dbraw/zinc/16/32/57/336163257.db2.gz CRKHRPWKYZVRHO-AEGPPILISA-N 2 2 276.449 3.344 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386086876 336166107 /nfs/dbraw/zinc/16/61/07/336166107.db2.gz HNCYKYHFJJPEBK-BXUZGUMPSA-N 2 2 286.341 3.326 20 0 CGADLP Cc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cs1 ZINC000386939313 336182746 /nfs/dbraw/zinc/18/27/46/336182746.db2.gz VKIMFHNEPPTLDF-UHFFFAOYSA-N 2 2 274.433 3.278 20 0 CGADLP Cc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cs1 ZINC000386939313 336182748 /nfs/dbraw/zinc/18/27/48/336182748.db2.gz VKIMFHNEPPTLDF-UHFFFAOYSA-N 2 2 274.433 3.278 20 0 CGADLP CC[C@@H]([NH2+]Cc1oc2ccccc2c1C)[C@@H]1CCC[NH2+]1 ZINC000422742377 500601814 /nfs/dbraw/zinc/60/18/14/500601814.db2.gz GEPARDUFTAHKHT-CABCVRRESA-N 2 2 272.392 3.361 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839971 533812579 /nfs/dbraw/zinc/81/25/79/533812579.db2.gz WVCXQWLJANBMAU-ZYHUDNBSSA-N 2 2 260.303 3.007 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423182463 533812004 /nfs/dbraw/zinc/81/20/04/533812004.db2.gz KLDWBYPVCIPRQK-AWEZNQCLSA-N 2 2 297.402 3.277 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)c1ccccc1 ZINC000437105219 533834012 /nfs/dbraw/zinc/83/40/12/533834012.db2.gz RLZUJQYMECIIAJ-HNNXBMFYSA-N 2 2 274.452 3.427 20 0 CGADLP COc1cccc2c(NCCNc3cccc[nH+]3)cc[nH+]c12 ZINC000436205951 533845513 /nfs/dbraw/zinc/84/55/13/533845513.db2.gz URHVCPZVBIHKJH-UHFFFAOYSA-N 2 2 294.358 3.162 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000423434447 533889397 /nfs/dbraw/zinc/88/93/97/533889397.db2.gz RYZARWUUPSNWIG-UGSOOPFHSA-N 2 2 284.378 3.363 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423314760 533897113 /nfs/dbraw/zinc/89/71/13/533897113.db2.gz HRCSKDHVTNQNDU-GUYCJALGSA-N 2 2 297.402 3.262 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133461728 533957284 /nfs/dbraw/zinc/95/72/84/533957284.db2.gz OGMSXUNJXQRBLJ-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133461728 533957295 /nfs/dbraw/zinc/95/72/95/533957295.db2.gz OGMSXUNJXQRBLJ-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100926 533981750 /nfs/dbraw/zinc/98/17/50/533981750.db2.gz JDVQQJLGLAGOND-DOMZBBRYSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100926 533981765 /nfs/dbraw/zinc/98/17/65/533981765.db2.gz JDVQQJLGLAGOND-DOMZBBRYSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)c1ccccc1 ZINC000368102212 534014458 /nfs/dbraw/zinc/01/44/58/534014458.db2.gz NEFQCXGYTWWIDD-ZFWWWQNUSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000368102212 534014468 /nfs/dbraw/zinc/01/44/68/534014468.db2.gz NEFQCXGYTWWIDD-ZFWWWQNUSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccsc1Cl)Cn1cc[nH+]c1 ZINC000359747900 534063285 /nfs/dbraw/zinc/06/32/85/534063285.db2.gz PFTSVTFFVFBJHB-JTQLQIEISA-N 2 2 269.801 3.024 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311041 534452074 /nfs/dbraw/zinc/45/20/74/534452074.db2.gz WQUWSNXBNDBSHS-YIBWGGGYSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311041 534452081 /nfs/dbraw/zinc/45/20/81/534452081.db2.gz WQUWSNXBNDBSHS-YIBWGGGYSA-N 2 2 288.410 3.144 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc2c1 ZINC000423263339 534472738 /nfs/dbraw/zinc/47/27/38/534472738.db2.gz AYAQWDZYWRYEOP-TZMCWYRMSA-N 2 2 260.381 3.375 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427122876 534522651 /nfs/dbraw/zinc/52/26/51/534522651.db2.gz UCXJQOFBERIGHD-BLLLJJGKSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427122876 534522655 /nfs/dbraw/zinc/52/26/55/534522655.db2.gz UCXJQOFBERIGHD-BLLLJJGKSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358008004 534574661 /nfs/dbraw/zinc/57/46/61/534574661.db2.gz AGMINLMZAXBCIY-UHFFFAOYSA-N 2 2 262.397 3.085 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000423260163 534603099 /nfs/dbraw/zinc/60/30/99/534603099.db2.gz GSVQQYNOXZBIGS-GXFFZTMASA-N 2 2 267.442 3.010 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654623 522200260 /nfs/dbraw/zinc/20/02/60/522200260.db2.gz NZEGNLMUXPHPND-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414068105 534648267 /nfs/dbraw/zinc/64/82/67/534648267.db2.gz QPHRCQWRRRVPKM-GDBMZVCRSA-N 2 2 289.810 3.462 20 0 CGADLP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414068110 534648469 /nfs/dbraw/zinc/64/84/69/534648469.db2.gz QPHRCQWRRRVPKM-ZBFHGGJFSA-N 2 2 289.810 3.462 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000338002189 524230838 /nfs/dbraw/zinc/23/08/38/524230838.db2.gz UTMFAZCJCHSBIE-OLZOCXBDSA-N 2 2 293.361 3.161 20 0 CGADLP Cc1cccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)[nH+]1 ZINC000157587717 524678713 /nfs/dbraw/zinc/67/87/13/524678713.db2.gz UZUFEFFFVSHLFJ-AWEZNQCLSA-N 2 2 291.345 3.383 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157085989 525012372 /nfs/dbraw/zinc/01/23/72/525012372.db2.gz CENMRMLISBKZHP-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157085989 525012384 /nfs/dbraw/zinc/01/23/84/525012384.db2.gz CENMRMLISBKZHP-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286768 525019035 /nfs/dbraw/zinc/01/90/35/525019035.db2.gz SMXZQPOCZKZIAQ-BXUZGUMPSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286768 525019023 /nfs/dbraw/zinc/01/90/23/525019023.db2.gz SMXZQPOCZKZIAQ-BXUZGUMPSA-N 2 2 268.351 3.326 20 0 CGADLP CCCC1CCC([N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459420219 534923554 /nfs/dbraw/zinc/92/35/54/534923554.db2.gz KJHQHWNOLLMTQX-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP CCCC1CCC([N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459420219 534923561 /nfs/dbraw/zinc/92/35/61/534923561.db2.gz KJHQHWNOLLMTQX-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C[C@@H]1CCCOC1 ZINC000441361238 527480343 /nfs/dbraw/zinc/48/03/43/527480343.db2.gz UXQRCNUFZWMCHC-KRWDZBQOSA-N 2 2 294.483 3.049 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411365968 527735159 /nfs/dbraw/zinc/73/51/59/527735159.db2.gz ORFVXPBWVLSYFP-IRXDYDNUSA-N 2 2 276.399 3.144 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230832 527838088 /nfs/dbraw/zinc/83/80/88/527838088.db2.gz SSVHOJORMTXASH-HIFRSBDPSA-N 2 2 293.455 3.411 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230832 527838093 /nfs/dbraw/zinc/83/80/93/527838093.db2.gz SSVHOJORMTXASH-HIFRSBDPSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230832 527838100 /nfs/dbraw/zinc/83/81/00/527838100.db2.gz SSVHOJORMTXASH-HIFRSBDPSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C[C@H]1C ZINC000428230832 527838104 /nfs/dbraw/zinc/83/81/04/527838104.db2.gz SSVHOJORMTXASH-HIFRSBDPSA-N 2 2 293.455 3.411 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC000177317217 527897167 /nfs/dbraw/zinc/89/71/67/527897167.db2.gz MAJDMKKVDPCCDJ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC000177317217 527897171 /nfs/dbraw/zinc/89/71/71/527897171.db2.gz MAJDMKKVDPCCDJ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC000177317217 527897174 /nfs/dbraw/zinc/89/71/74/527897174.db2.gz MAJDMKKVDPCCDJ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC000177317217 527897177 /nfs/dbraw/zinc/89/71/77/527897177.db2.gz MAJDMKKVDPCCDJ-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000414146907 528085856 /nfs/dbraw/zinc/08/58/56/528085856.db2.gz PTGUTAWOKDYGCH-KYJSFNMBSA-N 2 2 299.418 3.479 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424321696 528203593 /nfs/dbraw/zinc/20/35/93/528203593.db2.gz HTCGTJNZHKSXSK-IAGOWNOFSA-N 2 2 276.399 3.088 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(OC)cc1 ZINC000423370606 528237421 /nfs/dbraw/zinc/23/74/21/528237421.db2.gz ULUCLSHZEMNXML-RRQGHBQHSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)c1nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000439132764 528363423 /nfs/dbraw/zinc/36/34/23/528363423.db2.gz YNYBZQPJVZVCPW-YOEHRIQHSA-N 2 2 298.434 3.125 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414954783 528421198 /nfs/dbraw/zinc/42/11/98/528421198.db2.gz KWXSTSJBHXLSEF-SECBINFHSA-N 2 2 294.748 3.446 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423370384 528423718 /nfs/dbraw/zinc/42/37/18/528423718.db2.gz DAFYZFPMSCHYKP-GHMZBOCLSA-N 2 2 290.329 3.234 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423238810 528588369 /nfs/dbraw/zinc/58/83/69/528588369.db2.gz JNTVNWFUBZRTTM-IAGOWNOFSA-N 2 2 269.392 3.068 20 0 CGADLP CC(F)(F)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449352452 528725013 /nfs/dbraw/zinc/72/50/13/528725013.db2.gz VNQWKQAMUZEYNX-UHFFFAOYSA-N 2 2 285.363 3.459 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000423304941 528821317 /nfs/dbraw/zinc/82/13/17/528821317.db2.gz ZSJIVSFMBNKIHB-JQWIXIFHSA-N 2 2 269.458 3.182 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)C1CCCC1 ZINC000449219467 529018517 /nfs/dbraw/zinc/01/85/17/529018517.db2.gz APHGFWXPGWRDLF-DOTOQJQBSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000449218159 529171269 /nfs/dbraw/zinc/17/12/69/529171269.db2.gz FWEQVPSSSCKTOB-OAHLLOKOSA-N 2 2 257.381 3.045 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1F ZINC000423515315 529201614 /nfs/dbraw/zinc/20/16/14/529201614.db2.gz XJPQFYUAOZMJQO-CVEARBPZSA-N 2 2 264.388 3.384 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(COC)CC1 ZINC000449147780 529273235 /nfs/dbraw/zinc/27/32/35/529273235.db2.gz RLTZKYVIOQZEAM-OFLPRAFFSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(COC)CC1 ZINC000449147780 529273237 /nfs/dbraw/zinc/27/32/37/529273237.db2.gz RLTZKYVIOQZEAM-OFLPRAFFSA-N 2 2 282.472 3.046 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408201 535781896 /nfs/dbraw/zinc/78/18/96/535781896.db2.gz HIABCUBNKLEGPE-SUMWQHHRSA-N 2 2 296.405 3.217 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408201 535781898 /nfs/dbraw/zinc/78/18/98/535781898.db2.gz HIABCUBNKLEGPE-SUMWQHHRSA-N 2 2 296.405 3.217 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000516514577 536178895 /nfs/dbraw/zinc/17/88/95/536178895.db2.gz ZTGIXZSVRMCREE-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000516514577 536178897 /nfs/dbraw/zinc/17/88/97/536178897.db2.gz ZTGIXZSVRMCREE-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250238 536464667 /nfs/dbraw/zinc/46/46/67/536464667.db2.gz BRQIWGWVAOZNEE-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250238 536464669 /nfs/dbraw/zinc/46/46/69/536464669.db2.gz BRQIWGWVAOZNEE-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250238 536464672 /nfs/dbraw/zinc/46/46/72/536464672.db2.gz BRQIWGWVAOZNEE-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250238 536464673 /nfs/dbraw/zinc/46/46/73/536464673.db2.gz BRQIWGWVAOZNEE-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccoc3)CC2)cc1 ZINC000727466960 571746812 /nfs/dbraw/zinc/74/68/12/571746812.db2.gz KDAWLYQGYNZPAP-UHFFFAOYSA-N 2 2 288.366 3.173 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000199980924 571976904 /nfs/dbraw/zinc/97/69/04/571976904.db2.gz PJNLABFGIRIMKX-CRAIPNDOSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880299 572343823 /nfs/dbraw/zinc/34/38/23/572343823.db2.gz UMLMIGKQWLWXIU-IOASZLSFSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880299 572343825 /nfs/dbraw/zinc/34/38/25/572343825.db2.gz UMLMIGKQWLWXIU-IOASZLSFSA-N 2 2 294.389 3.490 20 0 CGADLP Cc1cccn2c(C[NH2+]Cc3ccc(C)c(F)c3)c[nH+]c12 ZINC000742366846 572567243 /nfs/dbraw/zinc/56/72/43/572567243.db2.gz XDRFVAQPLISITA-UHFFFAOYSA-N 2 2 283.350 3.380 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000742388468 572575271 /nfs/dbraw/zinc/57/52/71/572575271.db2.gz VMVYKYMKSLKDFI-MDJJKAFGSA-N 2 2 258.409 3.164 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000742388468 572575275 /nfs/dbraw/zinc/57/52/75/572575275.db2.gz VMVYKYMKSLKDFI-MDJJKAFGSA-N 2 2 258.409 3.164 20 0 CGADLP Cc1cccc(NCCNc2cc[nH+]c(C(C)(C)C)n2)[nH+]1 ZINC000749283469 572991489 /nfs/dbraw/zinc/99/14/89/572991489.db2.gz XYYFBQIIATZEQD-UHFFFAOYSA-N 2 2 285.395 3.002 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926026516 617877734 /nfs/dbraw/zinc/87/77/34/617877734.db2.gz JXSIMTWLVZDYLU-DLBZAZTESA-N 2 2 273.424 3.181 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926026516 617877740 /nfs/dbraw/zinc/87/77/40/617877740.db2.gz JXSIMTWLVZDYLU-DLBZAZTESA-N 2 2 273.424 3.181 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CCCOC)CCC1 ZINC000892216507 618601287 /nfs/dbraw/zinc/60/12/87/618601287.db2.gz MGQKUDNEHUSBFM-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CCCOC)CCC1 ZINC000892216507 618601301 /nfs/dbraw/zinc/60/13/01/618601301.db2.gz MGQKUDNEHUSBFM-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CCCOC)CCC1 ZINC000892216507 618601308 /nfs/dbraw/zinc/60/13/08/618601308.db2.gz MGQKUDNEHUSBFM-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(CCCOC)CCC1 ZINC000892216507 618601319 /nfs/dbraw/zinc/60/13/19/618601319.db2.gz MGQKUDNEHUSBFM-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cc(N2CCC([NH2+]C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000892288177 618657669 /nfs/dbraw/zinc/65/76/69/618657669.db2.gz IQZDLRUZHDCOQO-UHFFFAOYSA-N 2 2 288.439 3.019 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000892648578 618886909 /nfs/dbraw/zinc/88/69/09/618886909.db2.gz FZASWXRMOZIORA-AWEZNQCLSA-N 2 2 291.395 3.079 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cl)CC1 ZINC000926866502 618956139 /nfs/dbraw/zinc/95/61/39/618956139.db2.gz XTVBWESUBXVXES-UKRRQHHQSA-N 2 2 289.810 3.374 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000925756327 619220728 /nfs/dbraw/zinc/22/07/28/619220728.db2.gz KXJTXJTUISPFNR-CQSZACIVSA-N 2 2 280.362 3.155 20 0 CGADLP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000317201035 619245609 /nfs/dbraw/zinc/24/56/09/619245609.db2.gz YPVVJJGYCKQNFQ-BBWFWOEESA-N 2 2 298.434 3.032 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc(C)c1OC(F)F ZINC000237086274 619403899 /nfs/dbraw/zinc/40/38/99/619403899.db2.gz OMCDBLCEDUCTRC-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(C)c1OC(F)F ZINC000237086274 619403902 /nfs/dbraw/zinc/40/39/02/619403902.db2.gz OMCDBLCEDUCTRC-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403880 625355691 /nfs/dbraw/zinc/35/56/91/625355691.db2.gz QJJDIFUDIJETTR-NWDGAFQWSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403880 625355695 /nfs/dbraw/zinc/35/56/95/625355695.db2.gz QJJDIFUDIJETTR-NWDGAFQWSA-N 2 2 282.815 3.038 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCCCC2)CC1 ZINC000895110478 619733687 /nfs/dbraw/zinc/73/36/87/619733687.db2.gz MXXSZBSSVHGQQL-KOMQPUFPSA-N 2 2 273.424 3.491 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000895379575 619817189 /nfs/dbraw/zinc/81/71/89/619817189.db2.gz MJPZUOJNOXCTLG-CZUORRHYSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000895379575 619817190 /nfs/dbraw/zinc/81/71/90/619817190.db2.gz MJPZUOJNOXCTLG-CZUORRHYSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cn1 ZINC000147755176 619897528 /nfs/dbraw/zinc/89/75/28/619897528.db2.gz AAKWJJCHZHITSV-SWLSCSKDSA-N 2 2 290.386 3.183 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2OC)[C@@H](C)C1 ZINC000897482410 620349335 /nfs/dbraw/zinc/34/93/35/620349335.db2.gz RSMJZVWOTWUWLH-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2OC)[C@@H](C)C1 ZINC000897482410 620349337 /nfs/dbraw/zinc/34/93/37/620349337.db2.gz RSMJZVWOTWUWLH-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000897952283 620453747 /nfs/dbraw/zinc/45/37/47/620453747.db2.gz FFWJOKMFFBPQDB-HYVNUMGLSA-N 2 2 267.376 3.151 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)c2)c[nH+]1 ZINC000897955056 620455486 /nfs/dbraw/zinc/45/54/86/620455486.db2.gz OOKUOOABOVQLSG-BYCMXARLSA-N 2 2 273.405 3.212 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000898017819 620467143 /nfs/dbraw/zinc/46/71/43/620467143.db2.gz UGXPJFLKZGAWAS-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000898017819 620467145 /nfs/dbraw/zinc/46/71/45/620467145.db2.gz UGXPJFLKZGAWAS-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cnc2ccccc2c1 ZINC000898307421 620509632 /nfs/dbraw/zinc/50/96/32/620509632.db2.gz BPBFDOUWEJDWIO-UHFFFAOYSA-N 2 2 285.435 3.254 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000898307421 620509635 /nfs/dbraw/zinc/50/96/35/620509635.db2.gz BPBFDOUWEJDWIO-UHFFFAOYSA-N 2 2 285.435 3.254 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000898316506 620511297 /nfs/dbraw/zinc/51/12/97/620511297.db2.gz VCZNFYVKNNTQGZ-KRWDZBQOSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000921501436 625450894 /nfs/dbraw/zinc/45/08/94/625450894.db2.gz QAOYXSPEXNZRSS-UHFFFAOYSA-N 2 2 295.858 3.255 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CCC2 ZINC000902437863 621319229 /nfs/dbraw/zinc/31/92/29/621319229.db2.gz KTOFKTOXUUWONH-ARFHVFGLSA-N 2 2 299.443 3.043 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000902439915 621320057 /nfs/dbraw/zinc/32/00/57/621320057.db2.gz UXWZHEPOPPSKRC-XUVXKRRUSA-N 2 2 292.426 3.222 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC000902444975 621322678 /nfs/dbraw/zinc/32/26/78/621322678.db2.gz OZLHHGZKQCBNEY-SQWLQELKSA-N 2 2 272.417 3.414 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2ccccc2c1 ZINC000902473278 621324562 /nfs/dbraw/zinc/32/45/62/621324562.db2.gz WVEPHZDKLPDIHI-GQAVTEOGSA-N 2 2 266.388 3.383 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc2c1 ZINC000902474793 621325245 /nfs/dbraw/zinc/32/52/45/621325245.db2.gz FRZISBIGNGMUQB-PSVFENSKSA-N 2 2 296.414 3.392 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902464058 621337407 /nfs/dbraw/zinc/33/74/07/621337407.db2.gz ACQAVIUBKCFKCM-ZJIFWQFVSA-N 2 2 276.811 3.274 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482006 621352215 /nfs/dbraw/zinc/35/22/15/621352215.db2.gz JFJZZFZMYFDZOX-OLZOCXBDSA-N 2 2 252.427 3.239 20 0 CGADLP c1cncc([C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C2CCC2)c1 ZINC000902483939 621352856 /nfs/dbraw/zinc/35/28/56/621352856.db2.gz SVUOBNAXFSKZOG-IAGOWNOFSA-N 2 2 273.424 3.045 20 0 CGADLP C[C@@H]([NH2+]CC1(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902874151 621476958 /nfs/dbraw/zinc/47/69/58/621476958.db2.gz CSTRPMOEYXLERR-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000902887264 621485032 /nfs/dbraw/zinc/48/50/32/621485032.db2.gz GKRDHWFVFGYOSF-JLSDUUJJSA-N 2 2 299.418 3.481 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000903801081 621811821 /nfs/dbraw/zinc/81/18/21/621811821.db2.gz KNCKWJGLKUFNKZ-YOEHRIQHSA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1cc2ccccc2o1 ZINC000903801081 621811823 /nfs/dbraw/zinc/81/18/23/621811823.db2.gz KNCKWJGLKUFNKZ-YOEHRIQHSA-N 2 2 270.376 3.136 20 0 CGADLP CCc1nc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cs1 ZINC000903812649 621814543 /nfs/dbraw/zinc/81/45/43/621814543.db2.gz VNRNAIQKIFQMNV-CQSZACIVSA-N 2 2 293.480 3.189 20 0 CGADLP CCc1nc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cs1 ZINC000903812649 621814545 /nfs/dbraw/zinc/81/45/45/621814545.db2.gz VNRNAIQKIFQMNV-CQSZACIVSA-N 2 2 293.480 3.189 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000903841982 621819419 /nfs/dbraw/zinc/81/94/19/621819419.db2.gz IRKQCWFPMGPPKO-DLOVCJGASA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000903841982 621819421 /nfs/dbraw/zinc/81/94/21/621819421.db2.gz IRKQCWFPMGPPKO-DLOVCJGASA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000903850278 621821132 /nfs/dbraw/zinc/82/11/32/621821132.db2.gz NQESZWGRRWKIQM-SRVKXCTJSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000903850278 621821134 /nfs/dbraw/zinc/82/11/34/621821134.db2.gz NQESZWGRRWKIQM-SRVKXCTJSA-N 2 2 285.218 3.305 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884181 621826540 /nfs/dbraw/zinc/82/65/40/621826540.db2.gz UASNXYNPPSNDHQ-GFCCVEGCSA-N 2 2 276.758 3.144 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884181 621826542 /nfs/dbraw/zinc/82/65/42/621826542.db2.gz UASNXYNPPSNDHQ-GFCCVEGCSA-N 2 2 276.758 3.144 20 0 CGADLP CC(C)[NH2+]Cc1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC000904850818 622008335 /nfs/dbraw/zinc/00/83/35/622008335.db2.gz ZPFNHBUYVPFVQR-UHFFFAOYSA-N 2 2 269.392 3.313 20 0 CGADLP Fc1cc(C[NH2+]CCc2ccccc2)ccc1-n1cc[nH+]c1 ZINC000915223801 623920924 /nfs/dbraw/zinc/92/09/24/623920924.db2.gz JZWUSVTYZYNRKP-UHFFFAOYSA-N 2 2 295.361 3.344 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC000922214780 625984712 /nfs/dbraw/zinc/98/47/12/625984712.db2.gz TUPXEQVJUHKBMD-UHFFFAOYSA-N 2 2 295.839 3.132 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000922227083 625986508 /nfs/dbraw/zinc/98/65/08/625986508.db2.gz RCMKXJXEVVRIQE-JJXSEGSLSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000922227083 625986509 /nfs/dbraw/zinc/98/65/09/625986509.db2.gz RCMKXJXEVVRIQE-JJXSEGSLSA-N 2 2 282.497 3.267 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531424 626161562 /nfs/dbraw/zinc/16/15/62/626161562.db2.gz SNGHPSICXHSWJS-UONOGXRCSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531424 626161566 /nfs/dbraw/zinc/16/15/66/626161566.db2.gz SNGHPSICXHSWJS-UONOGXRCSA-N 2 2 272.383 3.030 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000753771418 626465257 /nfs/dbraw/zinc/46/52/57/626465257.db2.gz UKAVNXHAUBGUAD-KGLIPLIRSA-N 2 2 293.455 3.461 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1Cl ZINC000765040465 627237820 /nfs/dbraw/zinc/23/78/20/627237820.db2.gz WGKLTVFTSCIQND-XQQFMLRXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1Cl ZINC000765040465 627237823 /nfs/dbraw/zinc/23/78/23/627237823.db2.gz WGKLTVFTSCIQND-XQQFMLRXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000766267816 627308889 /nfs/dbraw/zinc/30/88/89/627308889.db2.gz IXIJSXRXUVDMJK-YOEHRIQHSA-N 2 2 272.436 3.483 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000766267816 627308891 /nfs/dbraw/zinc/30/88/91/627308891.db2.gz IXIJSXRXUVDMJK-YOEHRIQHSA-N 2 2 272.436 3.483 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cnc1Cl ZINC000768231701 627470221 /nfs/dbraw/zinc/47/02/21/627470221.db2.gz WALQHMIFYZUAQJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cnc1Cl ZINC000768231701 627470224 /nfs/dbraw/zinc/47/02/24/627470224.db2.gz WALQHMIFYZUAQJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP FC(F)C1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000768670544 627492069 /nfs/dbraw/zinc/49/20/69/627492069.db2.gz VYYHGOIMQFTZKG-UYSNPLJNSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000774438903 627990630 /nfs/dbraw/zinc/99/06/30/627990630.db2.gz HQMHIXUQIFUIMR-YCPHGPKFSA-N 2 2 285.391 3.090 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(CF)cc1 ZINC000777598219 628287401 /nfs/dbraw/zinc/28/74/01/628287401.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(CF)cc1 ZINC000777598219 628287404 /nfs/dbraw/zinc/28/74/04/628287404.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CF)cc1 ZINC000777598219 628287409 /nfs/dbraw/zinc/28/74/09/628287409.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CF)cc1 ZINC000777598219 628287410 /nfs/dbraw/zinc/28/74/10/628287410.db2.gz MHMBTECDDKQKIU-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780531765 628495645 /nfs/dbraw/zinc/49/56/45/628495645.db2.gz YNCAIOFYLOELLV-NZSAHSFTSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780531765 628495647 /nfs/dbraw/zinc/49/56/47/628495647.db2.gz YNCAIOFYLOELLV-NZSAHSFTSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000783243028 628693194 /nfs/dbraw/zinc/69/31/94/628693194.db2.gz JDLIIAHVQDCOQX-KBMXLJTQSA-N 2 2 269.392 3.092 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000783280046 628698485 /nfs/dbraw/zinc/69/84/85/628698485.db2.gz QGGIFCWKNZQWIC-RDTXWAMCSA-N 2 2 287.451 3.427 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000790049140 629179628 /nfs/dbraw/zinc/17/96/28/629179628.db2.gz MNCTVEPVZRVJCT-QGZVFWFLSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnc(Cl)c1 ZINC000794837507 629585871 /nfs/dbraw/zinc/58/58/71/629585871.db2.gz SLGRYFYTEIQVDB-GRTSSRMGSA-N 2 2 293.842 3.403 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000863545874 629604115 /nfs/dbraw/zinc/60/41/15/629604115.db2.gz IMKJPLKWQCIYNN-DYEKYZERSA-N 2 2 296.842 3.448 20 0 CGADLP CCc1[nH+]c(C)cn1C/C=C\Cn1cc(C)[nH+]c1CC ZINC000865394598 630099520 /nfs/dbraw/zinc/09/95/20/630099520.db2.gz QECOVAJOHTZYBD-FPLPWBNLSA-N 2 2 272.396 3.078 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)c[nH+]1 ZINC000800475138 630283567 /nfs/dbraw/zinc/28/35/67/630283567.db2.gz TYDBEHXHKRUMQX-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000810253775 630860135 /nfs/dbraw/zinc/86/01/35/630860135.db2.gz DDLFBTPNIXNTIF-BYNSBNAKSA-N 2 2 273.424 3.216 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817907915 632233965 /nfs/dbraw/zinc/23/39/65/632233965.db2.gz ZDPJAARMWCJWAL-ZWKOTPCHSA-N 2 2 288.435 3.268 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817962800 632257733 /nfs/dbraw/zinc/25/77/33/632257733.db2.gz KYOVFGUDGURSQO-HOCLYGCPSA-N 2 2 286.423 3.040 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401341 632765040 /nfs/dbraw/zinc/76/50/40/632765040.db2.gz CPAYJNJSBIACRO-PBHICJAKSA-N 2 2 285.391 3.092 20 0 CGADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000821402285 632765272 /nfs/dbraw/zinc/76/52/72/632765272.db2.gz PEBTYIWGYOMGMD-UKPHBRMFSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CC[NH2+]CCC3(C)C)cc2c1 ZINC000866696883 633232819 /nfs/dbraw/zinc/23/28/19/633232819.db2.gz AUZKZVAWEDXAOI-UHFFFAOYSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CC[NH2+]CCC3(C)C)cc2c1 ZINC000866696883 633232824 /nfs/dbraw/zinc/23/28/24/633232824.db2.gz AUZKZVAWEDXAOI-UHFFFAOYSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872020676 633941075 /nfs/dbraw/zinc/94/10/75/633941075.db2.gz JAYRDPSUYZTWJC-QAPCUYQASA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)[C@H]1CCCOC1 ZINC000872036192 633955681 /nfs/dbraw/zinc/95/56/81/633955681.db2.gz SRWJJMLTOFOXKG-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)[C@H]1CCCOC1 ZINC000872036192 633955684 /nfs/dbraw/zinc/95/56/84/633955684.db2.gz SRWJJMLTOFOXKG-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872088978 634014651 /nfs/dbraw/zinc/01/46/51/634014651.db2.gz SBSDCIUDQGXMMB-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872088978 634014657 /nfs/dbraw/zinc/01/46/57/634014657.db2.gz SBSDCIUDQGXMMB-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226959 634290808 /nfs/dbraw/zinc/29/08/08/634290808.db2.gz FHMJKHCKTUVDCO-HUUCEWRRSA-N 2 2 292.471 3.086 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226959 634290815 /nfs/dbraw/zinc/29/08/15/634290815.db2.gz FHMJKHCKTUVDCO-HUUCEWRRSA-N 2 2 292.471 3.086 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2(C)CCCC2)CC1 ZINC000877046293 634962260 /nfs/dbraw/zinc/96/22/60/634962260.db2.gz LGUAAQDQUBKKDS-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+](Cc3nc(Cl)cs3)C2)CC1 ZINC000877497038 635061285 /nfs/dbraw/zinc/06/12/85/635061285.db2.gz CIRSYIKVKCNLQU-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(Cl)cs3)C2)CC1 ZINC000877497038 635061286 /nfs/dbraw/zinc/06/12/86/635061286.db2.gz CIRSYIKVKCNLQU-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744397 635178919 /nfs/dbraw/zinc/17/89/19/635178919.db2.gz SJYDLKRJCQHXIV-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744397 635178925 /nfs/dbraw/zinc/17/89/25/635178925.db2.gz SJYDLKRJCQHXIV-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744397 635178933 /nfs/dbraw/zinc/17/89/33/635178933.db2.gz SJYDLKRJCQHXIV-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744397 635178941 /nfs/dbraw/zinc/17/89/41/635178941.db2.gz SJYDLKRJCQHXIV-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000842671995 635436071 /nfs/dbraw/zinc/43/60/71/635436071.db2.gz WLRGGXZTGOUZET-STQMWFEESA-N 2 2 274.399 3.417 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000842671995 635436085 /nfs/dbraw/zinc/43/60/85/635436085.db2.gz WLRGGXZTGOUZET-STQMWFEESA-N 2 2 274.399 3.417 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135964 635920529 /nfs/dbraw/zinc/92/05/29/635920529.db2.gz CUQJNNOKTJGXBX-QZTJIDSGSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135964 635920532 /nfs/dbraw/zinc/92/05/32/635920532.db2.gz CUQJNNOKTJGXBX-QZTJIDSGSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCc1ccccc1 ZINC000880135964 635920534 /nfs/dbraw/zinc/92/05/34/635920534.db2.gz CUQJNNOKTJGXBX-QZTJIDSGSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCc1ccccc1 ZINC000880135964 635920537 /nfs/dbraw/zinc/92/05/37/635920537.db2.gz CUQJNNOKTJGXBX-QZTJIDSGSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136032 635920697 /nfs/dbraw/zinc/92/06/97/635920697.db2.gz DMZMRINUJGELSL-IRXDYDNUSA-N 2 2 290.476 3.088 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136032 635920700 /nfs/dbraw/zinc/92/07/00/635920700.db2.gz DMZMRINUJGELSL-IRXDYDNUSA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCSCc1ccccc1 ZINC000880136032 635920703 /nfs/dbraw/zinc/92/07/03/635920703.db2.gz DMZMRINUJGELSL-IRXDYDNUSA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCSCc1ccccc1 ZINC000880136032 635920706 /nfs/dbraw/zinc/92/07/06/635920706.db2.gz DMZMRINUJGELSL-IRXDYDNUSA-N 2 2 290.476 3.088 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)s1 ZINC000880132315 635921568 /nfs/dbraw/zinc/92/15/68/635921568.db2.gz LKWOZUJSNQSSQB-CABCVRRESA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)s1 ZINC000880132315 635921572 /nfs/dbraw/zinc/92/15/72/635921572.db2.gz LKWOZUJSNQSSQB-CABCVRRESA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c(C)s1 ZINC000880132315 635921575 /nfs/dbraw/zinc/92/15/75/635921575.db2.gz LKWOZUJSNQSSQB-CABCVRRESA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c(C)s1 ZINC000880132315 635921579 /nfs/dbraw/zinc/92/15/79/635921579.db2.gz LKWOZUJSNQSSQB-CABCVRRESA-N 2 2 264.438 3.033 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880472520 636007265 /nfs/dbraw/zinc/00/72/65/636007265.db2.gz RTMRUQFBBAQIBA-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@]34CCCO4)cc2)c[nH+]1 ZINC000880509089 636012691 /nfs/dbraw/zinc/01/26/91/636012691.db2.gz XYNICDFKNHYLQY-MSOLQXFVSA-N 2 2 297.402 3.064 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569198 636023053 /nfs/dbraw/zinc/02/30/53/636023053.db2.gz JOLLCQMAJJAHID-HOCLYGCPSA-N 2 2 257.381 3.260 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829984 636252833 /nfs/dbraw/zinc/25/28/33/636252833.db2.gz VHQDBAUILDWIBE-BXUZGUMPSA-N 2 2 299.821 3.036 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829984 636252837 /nfs/dbraw/zinc/25/28/37/636252837.db2.gz VHQDBAUILDWIBE-BXUZGUMPSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829984 636252839 /nfs/dbraw/zinc/25/28/39/636252839.db2.gz VHQDBAUILDWIBE-BXUZGUMPSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829984 636252846 /nfs/dbraw/zinc/25/28/46/636252846.db2.gz VHQDBAUILDWIBE-BXUZGUMPSA-N 2 2 299.821 3.036 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000848548946 636600579 /nfs/dbraw/zinc/60/05/79/636600579.db2.gz HRYSUUWHKQKMJI-OAHLLOKOSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCCO1 ZINC000883387966 636729427 /nfs/dbraw/zinc/72/94/27/636729427.db2.gz JIEXYPBURNECHH-JQHSSLGASA-N 2 2 299.418 3.172 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438038 637062740 /nfs/dbraw/zinc/06/27/40/637062740.db2.gz CEGASKZIBZLNAT-CABCVRRESA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438038 637062742 /nfs/dbraw/zinc/06/27/42/637062742.db2.gz CEGASKZIBZLNAT-CABCVRRESA-N 2 2 288.435 3.147 20 0 CGADLP Cc1coc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000885990682 637345475 /nfs/dbraw/zinc/34/54/75/637345475.db2.gz NEGIBRRZNIFXRU-AWEZNQCLSA-N 2 2 252.402 3.044 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502379 637386718 /nfs/dbraw/zinc/38/67/18/637386718.db2.gz ZBGQQKOLFBWNMZ-QAPCUYQASA-N 2 2 270.420 3.205 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502379 637386726 /nfs/dbraw/zinc/38/67/26/637386726.db2.gz ZBGQQKOLFBWNMZ-QAPCUYQASA-N 2 2 270.420 3.205 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157660 637441202 /nfs/dbraw/zinc/44/12/02/637441202.db2.gz HXCFJCOXWBGGIO-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157660 637441205 /nfs/dbraw/zinc/44/12/05/637441205.db2.gz HXCFJCOXWBGGIO-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP c1cnc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000886535192 637560832 /nfs/dbraw/zinc/56/08/32/637560832.db2.gz WFFBGHBHEZLQBV-SFHVURJKSA-N 2 2 299.462 3.456 20 0 CGADLP Cc1csc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)n1 ZINC000886661139 637638718 /nfs/dbraw/zinc/63/87/18/637638718.db2.gz NLYWBXHZLWATBV-UHFFFAOYSA-N 2 2 290.436 3.171 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000886711331 637668425 /nfs/dbraw/zinc/66/84/25/637668425.db2.gz TVENWNMFDSUSNG-UHFFFAOYSA-N 2 2 293.480 3.210 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924534457 638353770 /nfs/dbraw/zinc/35/37/70/638353770.db2.gz KXMKPWHWQSZQLW-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924534457 638353780 /nfs/dbraw/zinc/35/37/80/638353780.db2.gz KXMKPWHWQSZQLW-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925652168 638557570 /nfs/dbraw/zinc/55/75/70/638557570.db2.gz NREQIVZZMVMJSL-QGZVFWFLSA-N 2 2 287.451 3.273 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750836 638596326 /nfs/dbraw/zinc/59/63/26/638596326.db2.gz IOMAOQGAMZCJCJ-NHYWBVRUSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750836 638596332 /nfs/dbraw/zinc/59/63/32/638596332.db2.gz IOMAOQGAMZCJCJ-NHYWBVRUSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000925776006 638607862 /nfs/dbraw/zinc/60/78/62/638607862.db2.gz TXWCLEDTZAJFLP-XIRDDKMYSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858146308 638641756 /nfs/dbraw/zinc/64/17/56/638641756.db2.gz CFCBGLQBYVTTEU-ZDUSSCGKSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858146308 638641761 /nfs/dbraw/zinc/64/17/61/638641761.db2.gz CFCBGLQBYVTTEU-ZDUSSCGKSA-N 2 2 264.388 3.097 20 0 CGADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926367947 638766983 /nfs/dbraw/zinc/76/69/83/638766983.db2.gz XMSRWBFDVLQPOE-GJZGRUSLSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926367947 638766984 /nfs/dbraw/zinc/76/69/84/638766984.db2.gz XMSRWBFDVLQPOE-GJZGRUSLSA-N 2 2 286.410 3.418 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC12CCSCC2 ZINC000926602820 638790640 /nfs/dbraw/zinc/79/06/40/638790640.db2.gz XVBMAACPPDCHDC-PMPSAXMXSA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC12CCSCC2 ZINC000926602820 638790641 /nfs/dbraw/zinc/79/06/41/638790641.db2.gz XVBMAACPPDCHDC-PMPSAXMXSA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCC2(CCCC2)O1 ZINC000926674703 638797307 /nfs/dbraw/zinc/79/73/07/638797307.db2.gz PBEAGYNTSBPLMN-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCC2(CCCC2)O1 ZINC000926674703 638797310 /nfs/dbraw/zinc/79/73/10/638797310.db2.gz PBEAGYNTSBPLMN-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP CCC(F)(F)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926757129 638807404 /nfs/dbraw/zinc/80/74/04/638807404.db2.gz POMQRAVRARTEOV-LBPRGKRZSA-N 2 2 270.367 3.444 20 0 CGADLP FCc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803810 638952696 /nfs/dbraw/zinc/95/26/96/638952696.db2.gz NWLZYQGHEIDNBE-UHFFFAOYSA-N 2 2 273.355 3.190 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000931349983 639138591 /nfs/dbraw/zinc/13/85/91/639138591.db2.gz DIDQVADZIZINMF-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)c(C)[nH+]1 ZINC000931555904 639170208 /nfs/dbraw/zinc/17/02/08/639170208.db2.gz JNERNDPKTHQZGH-KRWDZBQOSA-N 2 2 298.434 3.313 20 0 CGADLP CCC[N@H+](CCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187087 639553661 /nfs/dbraw/zinc/55/36/61/639553661.db2.gz AOZWAHDGXJJLPP-UHFFFAOYSA-N 2 2 278.415 3.333 20 0 CGADLP CCC[N@@H+](CCF)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187087 639553673 /nfs/dbraw/zinc/55/36/73/639553673.db2.gz AOZWAHDGXJJLPP-UHFFFAOYSA-N 2 2 278.415 3.333 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353159 639967339 /nfs/dbraw/zinc/96/73/39/639967339.db2.gz SYMWBFLCBNSVFO-UHFFFAOYSA-N 2 2 293.798 3.115 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000159054673 640028991 /nfs/dbraw/zinc/02/89/91/640028991.db2.gz MQYRNUFDXBVNSU-CVEARBPZSA-N 2 2 288.435 3.017 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000250256146 640811547 /nfs/dbraw/zinc/81/15/47/640811547.db2.gz SXKTVWLOVVVZSP-HRCADAONSA-N 2 2 261.413 3.222 20 0 CGADLP C[NH+]1CCN(c2ccc3[nH]c([C@H]4CC=CCC4)[nH+]c3c2)CC1 ZINC001250415512 805601674 /nfs/dbraw/zinc/60/16/74/805601674.db2.gz DSDYBMIXCPDMPN-AWEZNQCLSA-N 2 2 296.418 3.138 20 0 CGADLP Cc1nc(NCC[C@H]2CCC[N@H+](C)C2)cc(C(C)C)[nH+]1 ZINC001156381934 805681733 /nfs/dbraw/zinc/68/17/33/805681733.db2.gz XATQBXKHDIUFHV-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1nc(NCC[C@H]2CCC[N@@H+](C)C2)cc(C(C)C)[nH+]1 ZINC001156381934 805681740 /nfs/dbraw/zinc/68/17/40/805681740.db2.gz XATQBXKHDIUFHV-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP CSc1cc[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC001156402983 805684522 /nfs/dbraw/zinc/68/45/22/805684522.db2.gz COKZVDSJNPPOIO-UHFFFAOYSA-N 2 2 299.443 3.347 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1ccc(C(C)C)c[nH+]1 ZINC001156980201 805763548 /nfs/dbraw/zinc/76/35/48/805763548.db2.gz DYAOJNFKJDAHCV-UHFFFAOYSA-N 2 2 256.353 3.103 20 0 CGADLP COCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158265416 805932636 /nfs/dbraw/zinc/93/26/36/805932636.db2.gz HBGIVHSPDUUPDD-WMLDXEAASA-N 2 2 291.439 3.184 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159417130 806098483 /nfs/dbraw/zinc/09/84/83/806098483.db2.gz SCGRVDNIVBIJFQ-UHFFFAOYSA-N 2 2 253.349 3.299 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1cccc2c1CC[NH2+]C2 ZINC001159417266 806098607 /nfs/dbraw/zinc/09/86/07/806098607.db2.gz UNHYLSQYPFYXPL-UHFFFAOYSA-N 2 2 267.376 3.342 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159417291 806099047 /nfs/dbraw/zinc/09/90/47/806099047.db2.gz VFEMJGZZXXBTDU-UHFFFAOYSA-N 2 2 267.376 3.342 20 0 CGADLP COc1cc(Nc2ccc(C(C)(C)C[NH3+])cc2)cc(C)[nH+]1 ZINC001159581760 806125315 /nfs/dbraw/zinc/12/53/15/806125315.db2.gz PDCXSIONLHIJHI-UHFFFAOYSA-N 2 2 285.391 3.379 20 0 CGADLP COc1cc(C)c[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161208873 806357784 /nfs/dbraw/zinc/35/77/84/806357784.db2.gz OSCUMVOJQWGRJU-UHFFFAOYSA-N 2 2 291.439 3.321 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840665 806494123 /nfs/dbraw/zinc/49/41/23/806494123.db2.gz LPLHVURDTGXZQB-QGZVFWFLSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848715 806499072 /nfs/dbraw/zinc/49/90/72/806499072.db2.gz VFRKYUZRXXXIGD-MRXNPFEDSA-N 2 2 272.436 3.304 20 0 CGADLP COc1ccc2c(cc[nH+]c2NC2C[NH+](C(C)(C)C)C2)c1 ZINC001162221092 806530339 /nfs/dbraw/zinc/53/03/39/806530339.db2.gz HSYURBXFSMHHCA-UHFFFAOYSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000037156179 798860050 /nfs/dbraw/zinc/86/00/50/798860050.db2.gz QDWZETLHCKMMPI-MRXNPFEDSA-N 2 2 287.407 3.096 20 0 CGADLP CCC(CC)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156329 798860832 /nfs/dbraw/zinc/86/08/32/798860832.db2.gz GOZTYJDNAAPDDH-CQSZACIVSA-N 2 2 251.418 3.324 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000037156211 798860935 /nfs/dbraw/zinc/86/09/35/798860935.db2.gz ARUXVWIMRHVSDY-OAHLLOKOSA-N 2 2 293.361 3.366 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1F ZINC000037156106 798861295 /nfs/dbraw/zinc/86/12/95/798861295.db2.gz TUEXKOVRTNFDAZ-HNNXBMFYSA-N 2 2 293.361 3.366 20 0 CGADLP CC(C)C[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156543 798861576 /nfs/dbraw/zinc/86/15/76/798861576.db2.gz YQUYBOFQGQEUJN-KGLIPLIRSA-N 2 2 251.418 3.322 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+]1CCCCC1 ZINC000038028870 798885018 /nfs/dbraw/zinc/88/50/18/798885018.db2.gz CBDBWESQGQMNIW-LSDHHAIUSA-N 2 2 264.413 3.065 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000093077074 798961589 /nfs/dbraw/zinc/96/15/89/798961589.db2.gz OURBAEUNCUVZQK-OAHLLOKOSA-N 2 2 289.467 3.357 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]c2ccccc12 ZINC000146293173 799047940 /nfs/dbraw/zinc/04/79/40/799047940.db2.gz CUWWCTLEQVWVGJ-CHWSQXEVSA-N 2 2 255.365 3.225 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722596 806720393 /nfs/dbraw/zinc/72/03/93/806720393.db2.gz LCQKWUMIKNJASN-XJFOESAGSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722596 806720398 /nfs/dbraw/zinc/72/03/98/806720398.db2.gz LCQKWUMIKNJASN-XJFOESAGSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722596 806720401 /nfs/dbraw/zinc/72/04/01/806720401.db2.gz LCQKWUMIKNJASN-XJFOESAGSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722596 806720405 /nfs/dbraw/zinc/72/04/05/806720405.db2.gz LCQKWUMIKNJASN-XJFOESAGSA-N 2 2 290.373 3.134 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000311144225 799223753 /nfs/dbraw/zinc/22/37/53/799223753.db2.gz LTLQXQZFWOTMHO-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000311144225 799223759 /nfs/dbraw/zinc/22/37/59/799223759.db2.gz LTLQXQZFWOTMHO-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP CC(C)CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347590098 799301491 /nfs/dbraw/zinc/30/14/91/799301491.db2.gz AMXISLMPCMDZBH-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347590098 799301498 /nfs/dbraw/zinc/30/14/98/799301498.db2.gz AMXISLMPCMDZBH-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380008772 799357611 /nfs/dbraw/zinc/35/76/11/799357611.db2.gz FYTNLMPIFGWBMZ-RHSMWYFYSA-N 2 2 283.375 3.216 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389322882 799462209 /nfs/dbraw/zinc/46/22/09/799462209.db2.gz GPYNMEJFGBRMRW-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000389322882 799462211 /nfs/dbraw/zinc/46/22/11/799462211.db2.gz GPYNMEJFGBRMRW-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc2ccccc2s1 ZINC000693931894 799817761 /nfs/dbraw/zinc/81/77/61/799817761.db2.gz QXJOGSRZLUDDRR-QWHCGFSZSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc2ccccc2s1 ZINC000693931894 799817769 /nfs/dbraw/zinc/81/77/69/799817769.db2.gz QXJOGSRZLUDDRR-QWHCGFSZSA-N 2 2 289.448 3.431 20 0 CGADLP c1cncc(C[N@H+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888359 806783816 /nfs/dbraw/zinc/78/38/16/806783816.db2.gz GVHNMLRKJGNFAT-HDICACEKSA-N 2 2 299.462 3.168 20 0 CGADLP c1cncc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888359 806783821 /nfs/dbraw/zinc/78/38/21/806783821.db2.gz GVHNMLRKJGNFAT-HDICACEKSA-N 2 2 299.462 3.168 20 0 CGADLP c1cncc(C[NH+]2C[C@@H]3C[N@H+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888359 806783824 /nfs/dbraw/zinc/78/38/24/806783824.db2.gz GVHNMLRKJGNFAT-HDICACEKSA-N 2 2 299.462 3.168 20 0 CGADLP c1cncc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888359 806783830 /nfs/dbraw/zinc/78/38/30/806783830.db2.gz GVHNMLRKJGNFAT-HDICACEKSA-N 2 2 299.462 3.168 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cn1 ZINC000703879562 799931219 /nfs/dbraw/zinc/93/12/19/799931219.db2.gz QZGVYIQFTKDOLS-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cn1 ZINC000703879562 799931234 /nfs/dbraw/zinc/93/12/34/799931234.db2.gz QZGVYIQFTKDOLS-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)cc1OC ZINC001255948020 806794205 /nfs/dbraw/zinc/79/42/05/806794205.db2.gz CNYQFKDNRIFTSF-ZDUSSCGKSA-N 2 2 282.403 3.044 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)c[nH+]1 ZINC000709589220 800010647 /nfs/dbraw/zinc/01/06/47/800010647.db2.gz QQQVBLZTMSMASC-HNNXBMFYSA-N 2 2 287.432 3.248 20 0 CGADLP C[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072664 806810387 /nfs/dbraw/zinc/81/03/87/806810387.db2.gz FMBGEKAAOOIIRW-AWEZNQCLSA-N 2 2 270.420 3.233 20 0 CGADLP C[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072664 806810393 /nfs/dbraw/zinc/81/03/93/806810393.db2.gz FMBGEKAAOOIIRW-AWEZNQCLSA-N 2 2 270.420 3.233 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001256080434 806813983 /nfs/dbraw/zinc/81/39/83/806813983.db2.gz VIOGYMMYIZOXSW-YOEHRIQHSA-N 2 2 262.441 3.268 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001256080434 806813987 /nfs/dbraw/zinc/81/39/87/806813987.db2.gz VIOGYMMYIZOXSW-YOEHRIQHSA-N 2 2 262.441 3.268 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719596916 800244089 /nfs/dbraw/zinc/24/40/89/800244089.db2.gz XHXNPSCRCKLUCK-STQMWFEESA-N 2 2 293.480 3.032 20 0 CGADLP c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001256121163 806828965 /nfs/dbraw/zinc/82/89/65/806828965.db2.gz MHBQHBGLKAPPME-PKOBYXMFSA-N 2 2 284.447 3.493 20 0 CGADLP c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001256121163 806828972 /nfs/dbraw/zinc/82/89/72/806828972.db2.gz MHBQHBGLKAPPME-PKOBYXMFSA-N 2 2 284.447 3.493 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001256207514 806850066 /nfs/dbraw/zinc/85/00/66/806850066.db2.gz KZFIYWSDVACIMH-KRWDZBQOSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2F)CC1 ZINC001256207514 806850074 /nfs/dbraw/zinc/85/00/74/806850074.db2.gz KZFIYWSDVACIMH-KRWDZBQOSA-N 2 2 276.399 3.447 20 0 CGADLP CC(C)CC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001256370877 806873664 /nfs/dbraw/zinc/87/36/64/806873664.db2.gz DCADCTNNGBNNKJ-HNNXBMFYSA-N 2 2 275.440 3.465 20 0 CGADLP C[C@@H](Cc1ccccn1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001256405481 806885154 /nfs/dbraw/zinc/88/51/54/806885154.db2.gz BLGSBKCZXBBLCJ-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CC[C@@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256589419 806922073 /nfs/dbraw/zinc/92/20/73/806922073.db2.gz YHQGUWLASRHBGC-ZWKOTPCHSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CC[C@@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256589419 806922074 /nfs/dbraw/zinc/92/20/74/806922074.db2.gz YHQGUWLASRHBGC-ZWKOTPCHSA-N 2 2 299.462 3.168 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001256574534 806921131 /nfs/dbraw/zinc/92/11/31/806921131.db2.gz BBFYTSAFFRKWSR-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001256574534 806921132 /nfs/dbraw/zinc/92/11/32/806921132.db2.gz BBFYTSAFFRKWSR-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP COCC[N@H+](C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611064 806925377 /nfs/dbraw/zinc/92/53/77/806925377.db2.gz MLHWHIRWEUBVSB-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP COCC[N@@H+](C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611064 806925380 /nfs/dbraw/zinc/92/53/80/806925380.db2.gz MLHWHIRWEUBVSB-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP COCC[NH+]1CCC(Nc2cc(C)c3ccccc3[nH+]2)CC1 ZINC001115898732 802284915 /nfs/dbraw/zinc/28/49/15/802284915.db2.gz LIBWHDJADYRLSR-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001117953971 802513686 /nfs/dbraw/zinc/51/36/86/802513686.db2.gz VUEZSBPFVSFASL-QMMMGPOBSA-N 2 2 279.186 3.220 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc2c(c1)C[NH2+]CC2 ZINC001245198271 803661452 /nfs/dbraw/zinc/66/14/52/803661452.db2.gz YDEWCFBMSLANQR-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP Cc1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c[nH+]c1N ZINC001245536399 803795059 /nfs/dbraw/zinc/79/50/59/803795059.db2.gz JYTZQADXYBBRIW-UHFFFAOYSA-N 2 2 293.414 3.207 20 0 CGADLP Cc1cc(-c2cccc(C[NH+]3CCCC3)c2F)c[nH+]c1N ZINC001245540336 803797997 /nfs/dbraw/zinc/79/79/97/803797997.db2.gz AUTDJKQMAILEQD-UHFFFAOYSA-N 2 2 285.366 3.374 20 0 CGADLP CCCOc1ccccc1C[N@H+](CC)CCn1cc[nH+]c1 ZINC001138998058 804101383 /nfs/dbraw/zinc/10/13/83/804101383.db2.gz AYTFZCIQLAPOTC-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCCOc1ccccc1C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001138998058 804101390 /nfs/dbraw/zinc/10/13/90/804101390.db2.gz AYTFZCIQLAPOTC-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001246073614 804111959 /nfs/dbraw/zinc/11/19/59/804111959.db2.gz WIJRRCZIEHPBRF-JTQLQIEISA-N 2 2 275.223 3.124 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001246073615 804112817 /nfs/dbraw/zinc/11/28/17/804112817.db2.gz WIJRRCZIEHPBRF-SNVBAGLBSA-N 2 2 275.223 3.124 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246087513 804120876 /nfs/dbraw/zinc/12/08/76/804120876.db2.gz OUEFLQFIWTUVGB-BRWVUGGUSA-N 2 2 278.415 3.078 20 0 CGADLP CCn1ccc2ccc(C[N@H+](CC)CCn3cc[nH+]c3)cc21 ZINC001139120216 804131990 /nfs/dbraw/zinc/13/19/90/804131990.db2.gz MMJCKFXEPUICFN-UHFFFAOYSA-N 2 2 296.418 3.380 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](CC)CCn3cc[nH+]c3)cc21 ZINC001139120216 804131997 /nfs/dbraw/zinc/13/19/97/804131997.db2.gz MMJCKFXEPUICFN-UHFFFAOYSA-N 2 2 296.418 3.380 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341238 804177601 /nfs/dbraw/zinc/17/76/01/804177601.db2.gz FLNSPWGPOZFSPM-IEBWSBKVSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341238 804177608 /nfs/dbraw/zinc/17/76/08/804177608.db2.gz FLNSPWGPOZFSPM-IEBWSBKVSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341238 804177612 /nfs/dbraw/zinc/17/76/12/804177612.db2.gz FLNSPWGPOZFSPM-IEBWSBKVSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@H]21 ZINC001139341238 804177615 /nfs/dbraw/zinc/17/76/15/804177615.db2.gz FLNSPWGPOZFSPM-IEBWSBKVSA-N 2 2 296.414 3.071 20 0 CGADLP c1ccc(-c2ccc(CC[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246161824 804179180 /nfs/dbraw/zinc/17/91/80/804179180.db2.gz BZMNOGCXBDTDDA-IBGZPJMESA-N 2 2 280.415 3.238 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246169530 804184056 /nfs/dbraw/zinc/18/40/56/804184056.db2.gz JCRCXJRCCMZFJJ-IBGZPJMESA-N 2 2 294.442 3.232 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC(F)(F)C1 ZINC001139362387 804184123 /nfs/dbraw/zinc/18/41/23/804184123.db2.gz MLJTYHZWTRDMBF-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC(F)(F)C1 ZINC001139362387 804184127 /nfs/dbraw/zinc/18/41/27/804184127.db2.gz MLJTYHZWTRDMBF-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246171931 804185672 /nfs/dbraw/zinc/18/56/72/804185672.db2.gz UMBJEQDFAUDOOJ-MRXNPFEDSA-N 2 2 260.425 3.335 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001246177972 804192697 /nfs/dbraw/zinc/19/26/97/804192697.db2.gz WSLQEOIFRUHSRE-XJKSGUPXSA-N 2 2 260.425 3.214 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC)CC[NH2+]1 ZINC001246188299 804197983 /nfs/dbraw/zinc/19/79/83/804197983.db2.gz SCVPGISTSCUOPG-KBPBESRZSA-N 2 2 294.414 3.235 20 0 CGADLP Cc1c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cccc1C(F)(F)F ZINC001246231766 804224697 /nfs/dbraw/zinc/22/46/97/804224697.db2.gz GNYXYESIYAYUIH-MFKMUULPSA-N 2 2 286.341 3.244 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](CC)CCC[NH+](C)C ZINC001139607641 804225689 /nfs/dbraw/zinc/22/56/89/804225689.db2.gz YQEKOEFHOISRJN-UHFFFAOYSA-N 2 2 278.440 3.167 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](CC)CCC[NH+](C)C ZINC001139607641 804225695 /nfs/dbraw/zinc/22/56/95/804225695.db2.gz YQEKOEFHOISRJN-UHFFFAOYSA-N 2 2 278.440 3.167 20 0 CGADLP c1ccc(-c2ccc(OCC[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246252407 804238309 /nfs/dbraw/zinc/23/83/09/804238309.db2.gz RKIDIHIJHWIWPN-SFHVURJKSA-N 2 2 296.414 3.074 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246279918 804254661 /nfs/dbraw/zinc/25/46/61/804254661.db2.gz MXUCEAJXVFINKL-JKSUJKDBSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC001246280009 804256584 /nfs/dbraw/zinc/25/65/84/804256584.db2.gz PMHDVAKMMXQHLJ-RTBURBONSA-N 2 2 280.415 3.142 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246287804 804260348 /nfs/dbraw/zinc/26/03/48/804260348.db2.gz LGXLTCPTAXPXOJ-DQYPLSBCSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1C(F)(F)F ZINC001246297057 804264342 /nfs/dbraw/zinc/26/43/42/804264342.db2.gz KLRRUMCCHWMOCE-SDDRHHMPSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC001246315250 804276165 /nfs/dbraw/zinc/27/61/65/804276165.db2.gz ROXAGIOMERDTIR-KNXALSJPSA-N 2 2 262.372 3.007 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801948 804284246 /nfs/dbraw/zinc/28/42/46/804284246.db2.gz HJWLAMFDWXLTFX-GASCZTMLSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801948 804284255 /nfs/dbraw/zinc/28/42/55/804284255.db2.gz HJWLAMFDWXLTFX-GASCZTMLSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801948 804284262 /nfs/dbraw/zinc/28/42/62/804284262.db2.gz HJWLAMFDWXLTFX-GASCZTMLSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801948 804284269 /nfs/dbraw/zinc/28/42/69/804284269.db2.gz HJWLAMFDWXLTFX-GASCZTMLSA-N 2 2 294.389 3.398 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC001246397006 804321219 /nfs/dbraw/zinc/32/12/19/804321219.db2.gz ALMRJKCMRLVQIK-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410147 804324752 /nfs/dbraw/zinc/32/47/52/804324752.db2.gz XXFYNKAJTWCIAY-DZGCQCFKSA-N 2 2 294.389 3.431 20 0 CGADLP CCO[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028109 804354879 /nfs/dbraw/zinc/35/48/79/804354879.db2.gz LJBJRJDMDDLPHS-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP CCO[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028109 804354888 /nfs/dbraw/zinc/35/48/88/804354888.db2.gz LJBJRJDMDDLPHS-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246508712 804367413 /nfs/dbraw/zinc/36/74/13/804367413.db2.gz XUQDMZXPDFABTL-IPMKNSEASA-N 2 2 296.414 3.196 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)CCC=C(C)C)c1 ZINC001246509907 804367576 /nfs/dbraw/zinc/36/75/76/804367576.db2.gz KKZPBXQMKVYQCW-WMLDXEAASA-N 2 2 276.424 3.420 20 0 CGADLP CC[N@H+](C1CC1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246524475 804378503 /nfs/dbraw/zinc/37/85/03/804378503.db2.gz RPYOLKPKHKKTFY-DOTOQJQBSA-N 2 2 276.399 3.412 20 0 CGADLP CC[N@@H+](C1CC1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246524475 804378511 /nfs/dbraw/zinc/37/85/11/804378511.db2.gz RPYOLKPKHKKTFY-DOTOQJQBSA-N 2 2 276.399 3.412 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536473 804386410 /nfs/dbraw/zinc/38/64/10/804386410.db2.gz FXNOCUBDPRAMMY-DLBZAZTESA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536473 804386417 /nfs/dbraw/zinc/38/64/17/804386417.db2.gz FXNOCUBDPRAMMY-DLBZAZTESA-N 2 2 292.854 3.475 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538123 804388465 /nfs/dbraw/zinc/38/84/65/804388465.db2.gz GLYCEMVYPHDADJ-CJNGLKHVSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538123 804388472 /nfs/dbraw/zinc/38/84/72/804388472.db2.gz GLYCEMVYPHDADJ-CJNGLKHVSA-N 2 2 278.827 3.011 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548917 804399444 /nfs/dbraw/zinc/39/94/44/804399444.db2.gz IIUOULCOBFGSHA-CHWSQXEVSA-N 2 2 298.833 3.342 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548917 804399452 /nfs/dbraw/zinc/39/94/52/804399452.db2.gz IIUOULCOBFGSHA-CHWSQXEVSA-N 2 2 298.833 3.342 20 0 CGADLP Nc1[nH+]cccc1Nc1cc[nH+]cc1Oc1ccccc1 ZINC001212388709 815015301 /nfs/dbraw/zinc/01/53/01/815015301.db2.gz DXGDVQJEEDHPRW-UHFFFAOYSA-N 2 2 278.315 3.017 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571498 804418824 /nfs/dbraw/zinc/41/88/24/804418824.db2.gz UTBBTJWHGTXBIK-SNPRPXQTSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571498 804418828 /nfs/dbraw/zinc/41/88/28/804418828.db2.gz UTBBTJWHGTXBIK-SNPRPXQTSA-N 2 2 292.854 3.257 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246583867 804428382 /nfs/dbraw/zinc/42/83/82/804428382.db2.gz VXYUMTIUFRHPRN-SJLPKXTDSA-N 2 2 292.442 3.469 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246583867 804428388 /nfs/dbraw/zinc/42/83/88/804428388.db2.gz VXYUMTIUFRHPRN-SJLPKXTDSA-N 2 2 292.442 3.469 20 0 CGADLP c1ccc2c(c1)CCCC21CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246627344 804458596 /nfs/dbraw/zinc/45/85/96/804458596.db2.gz WEHIYCRWXLUUGL-KRWDZBQOSA-N 2 2 284.447 3.109 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246628565 804458706 /nfs/dbraw/zinc/45/87/06/804458706.db2.gz GOAZOKQBZADVKT-IKGGRYGDSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246628565 804458710 /nfs/dbraw/zinc/45/87/10/804458710.db2.gz GOAZOKQBZADVKT-IKGGRYGDSA-N 2 2 282.472 3.188 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648732 804475145 /nfs/dbraw/zinc/47/51/45/804475145.db2.gz MQQKNLHYTFAYIT-MCIONIFRSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648732 804475151 /nfs/dbraw/zinc/47/51/51/804475151.db2.gz MQQKNLHYTFAYIT-MCIONIFRSA-N 2 2 290.373 3.326 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246663448 804485508 /nfs/dbraw/zinc/48/55/08/804485508.db2.gz UZXCLXGPKSFRJH-BFQNTYOBSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001246663448 804485511 /nfs/dbraw/zinc/48/55/11/804485511.db2.gz UZXCLXGPKSFRJH-BFQNTYOBSA-N 2 2 296.817 3.094 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780225 804508174 /nfs/dbraw/zinc/50/81/74/804508174.db2.gz BLZSMFRDGILMJX-DLBZAZTESA-N 2 2 288.435 3.192 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780225 804508182 /nfs/dbraw/zinc/50/81/82/804508182.db2.gz BLZSMFRDGILMJX-DLBZAZTESA-N 2 2 288.435 3.192 20 0 CGADLP F[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCCC1(F)F ZINC001140801924 804520835 /nfs/dbraw/zinc/52/08/35/804520835.db2.gz KZDVWQYFNCVSFT-CYBMUJFWSA-N 2 2 283.297 3.132 20 0 CGADLP F[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCCC1(F)F ZINC001140801924 804520839 /nfs/dbraw/zinc/52/08/39/804520839.db2.gz KZDVWQYFNCVSFT-CYBMUJFWSA-N 2 2 283.297 3.132 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140801042 804521045 /nfs/dbraw/zinc/52/10/45/804521045.db2.gz AICPUQAQPWHDLW-CHWSQXEVSA-N 2 2 257.381 3.431 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140801042 804521050 /nfs/dbraw/zinc/52/10/50/804521050.db2.gz AICPUQAQPWHDLW-CHWSQXEVSA-N 2 2 257.381 3.431 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246820262 804535202 /nfs/dbraw/zinc/53/52/02/804535202.db2.gz HYYMYFQHEAWEBH-XBFCOCLRSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246820262 804535206 /nfs/dbraw/zinc/53/52/06/804535206.db2.gz HYYMYFQHEAWEBH-XBFCOCLRSA-N 2 2 278.827 3.009 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866548 804570026 /nfs/dbraw/zinc/57/00/26/804570026.db2.gz CODXHYVNACJKLJ-CVEARBPZSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866548 804570030 /nfs/dbraw/zinc/57/00/30/804570030.db2.gz CODXHYVNACJKLJ-CVEARBPZSA-N 2 2 278.827 3.432 20 0 CGADLP c1cn2ccc(C[NH+]3CCC4(CCCC4)CC3)cc2[nH+]1 ZINC001141047892 804578248 /nfs/dbraw/zinc/57/82/48/804578248.db2.gz WDYXRJQKSYDJOG-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP CC[C@@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965705 804619669 /nfs/dbraw/zinc/61/96/69/804619669.db2.gz QLYPHPAJGJBMEL-GFCCVEGCSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965705 804619674 /nfs/dbraw/zinc/61/96/74/804619674.db2.gz QLYPHPAJGJBMEL-GFCCVEGCSA-N 2 2 282.378 3.317 20 0 CGADLP COc1cc(C)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143163427 804812382 /nfs/dbraw/zinc/81/23/82/804812382.db2.gz GBJZPYCSZWXPHB-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc(C)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001143163427 804812389 /nfs/dbraw/zinc/81/23/89/804812389.db2.gz GBJZPYCSZWXPHB-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH+](C)CC1 ZINC001143378231 804841320 /nfs/dbraw/zinc/84/13/20/804841320.db2.gz KXTJLOUUQWYUFX-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CC[NH+](C)CC1 ZINC001143378231 804841327 /nfs/dbraw/zinc/84/13/27/804841327.db2.gz KXTJLOUUQWYUFX-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2c3ccoc3ccc2F)CC1 ZINC001248539633 804945984 /nfs/dbraw/zinc/94/59/84/804945984.db2.gz QRELEDNDTQYXDQ-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2c3ccoc3ccc2F)CC1 ZINC001248539633 804945987 /nfs/dbraw/zinc/94/59/87/804945987.db2.gz QRELEDNDTQYXDQ-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP C[C@H]1CC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC001257085386 807047722 /nfs/dbraw/zinc/04/77/22/807047722.db2.gz NDWIGKVPOHTUFN-STQMWFEESA-N 2 2 285.391 3.137 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1Cl ZINC001250203617 805486425 /nfs/dbraw/zinc/48/64/25/805486425.db2.gz JDYWWJJKKRVPHY-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1Cl ZINC001250203617 805486428 /nfs/dbraw/zinc/48/64/28/805486428.db2.gz JDYWWJJKKRVPHY-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1cc(Cl)c(C)c(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154986857 805518745 /nfs/dbraw/zinc/51/87/45/805518745.db2.gz UWGGIKSBIFURIO-MNOVXSKESA-N 2 2 253.777 3.034 20 0 CGADLP Cc1c[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)cc1C ZINC001155103239 805538759 /nfs/dbraw/zinc/53/87/59/805538759.db2.gz LDTPVYDVHRUOJB-GOSISDBHSA-N 2 2 293.414 3.118 20 0 CGADLP Cc1c[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)cc1C ZINC001155103239 805538768 /nfs/dbraw/zinc/53/87/68/805538768.db2.gz LDTPVYDVHRUOJB-GOSISDBHSA-N 2 2 293.414 3.118 20 0 CGADLP c1cn(CCC2=CC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001250316132 805562337 /nfs/dbraw/zinc/56/23/37/805562337.db2.gz BONYUZJZRQAJBG-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP c1cn(CCC2=CC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001250316132 805562341 /nfs/dbraw/zinc/56/23/41/805562341.db2.gz BONYUZJZRQAJBG-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP c1cc(C2CC2)[nH+]c(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165322061 806993467 /nfs/dbraw/zinc/99/34/67/806993467.db2.gz DKYWQQODECFNGY-KRWDZBQOSA-N 2 2 285.435 3.318 20 0 CGADLP CC(C)[NH+]1CCC(CNc2cc3cc[nH]c3c[nH+]2)CC1 ZINC001166594256 807060799 /nfs/dbraw/zinc/06/07/99/807060799.db2.gz NNPLGWIAWILHFI-UHFFFAOYSA-N 2 2 272.396 3.095 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001257224149 807064241 /nfs/dbraw/zinc/06/42/41/807064241.db2.gz PVVMNLNPQDSPKG-UHFFFAOYSA-N 2 2 290.476 3.467 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCSc3ccccc3C2)CC1 ZINC001257224149 807064249 /nfs/dbraw/zinc/06/42/49/807064249.db2.gz PVVMNLNPQDSPKG-UHFFFAOYSA-N 2 2 290.476 3.467 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001257219636 807065951 /nfs/dbraw/zinc/06/59/51/807065951.db2.gz HFSYVBPBTAYSJG-KRWDZBQOSA-N 2 2 273.424 3.091 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001257219636 807065960 /nfs/dbraw/zinc/06/59/60/807065960.db2.gz HFSYVBPBTAYSJG-KRWDZBQOSA-N 2 2 273.424 3.091 20 0 CGADLP CCC[C@H](CC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001257269903 807083445 /nfs/dbraw/zinc/08/34/45/807083445.db2.gz MLRCXKWYFGAHNV-ZDUSSCGKSA-N 2 2 279.403 3.358 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257306490 807099338 /nfs/dbraw/zinc/09/93/38/807099338.db2.gz UAWXCZOFOLKDFP-OAHLLOKOSA-N 2 2 290.451 3.438 20 0 CGADLP CCCC(CCC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001257339226 807114479 /nfs/dbraw/zinc/11/44/79/807114479.db2.gz LSKJHQRCIDGPKO-UHFFFAOYSA-N 2 2 291.439 3.181 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257475098 807173803 /nfs/dbraw/zinc/17/38/03/807173803.db2.gz JNMCPFAJKMCVEG-ULQDDVLXSA-N 2 2 296.499 3.434 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257475098 807173807 /nfs/dbraw/zinc/17/38/07/807173807.db2.gz JNMCPFAJKMCVEG-ULQDDVLXSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc2c(cc[nH+]c2NCC[NH+]2CCSCC2)c1 ZINC001167832536 807257758 /nfs/dbraw/zinc/25/77/58/807257758.db2.gz JHGZFAAATDUTNK-UHFFFAOYSA-N 2 2 287.432 3.004 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258060317 807281818 /nfs/dbraw/zinc/28/18/18/807281818.db2.gz HORDUFPUOYDEOI-BBWFWOEESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258060317 807281820 /nfs/dbraw/zinc/28/18/20/807281820.db2.gz HORDUFPUOYDEOI-BBWFWOEESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258067264 807286763 /nfs/dbraw/zinc/28/67/63/807286763.db2.gz YZZUNQDBAOYSBD-KGLIPLIRSA-N 2 2 251.418 3.013 20 0 CGADLP CCCCC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968332 807288310 /nfs/dbraw/zinc/28/83/10/807288310.db2.gz PNIOUHDBPCRTJW-LNRIEFBSSA-N 2 2 292.467 3.129 20 0 CGADLP CCCCC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968332 807288314 /nfs/dbraw/zinc/28/83/14/807288314.db2.gz PNIOUHDBPCRTJW-LNRIEFBSSA-N 2 2 292.467 3.129 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001168168229 807331197 /nfs/dbraw/zinc/33/11/97/807331197.db2.gz RQHBCOFPIUNWNO-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001168168229 807331204 /nfs/dbraw/zinc/33/12/04/807331204.db2.gz RQHBCOFPIUNWNO-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001168168232 807331481 /nfs/dbraw/zinc/33/14/81/807331481.db2.gz RQHBCOFPIUNWNO-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001168168232 807331490 /nfs/dbraw/zinc/33/14/90/807331490.db2.gz RQHBCOFPIUNWNO-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001168171888 807334189 /nfs/dbraw/zinc/33/41/89/807334189.db2.gz YHJSGBVTNZKSQH-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001168171888 807334197 /nfs/dbraw/zinc/33/41/97/807334197.db2.gz YHJSGBVTNZKSQH-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP CSCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258214626 807369923 /nfs/dbraw/zinc/36/99/23/807369923.db2.gz KBXVRXBRMPAVEU-ZDUSSCGKSA-N 2 2 280.437 3.066 20 0 CGADLP c1ccc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ncc2c1 ZINC001168356661 807392367 /nfs/dbraw/zinc/39/23/67/807392367.db2.gz SGJMJHPMEQCGAE-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258328447 807411652 /nfs/dbraw/zinc/41/16/52/807411652.db2.gz BRKZGHQKQZJIRH-BBRMVZONSA-N 2 2 292.492 3.292 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258328447 807411655 /nfs/dbraw/zinc/41/16/55/807411655.db2.gz BRKZGHQKQZJIRH-BBRMVZONSA-N 2 2 292.492 3.292 20 0 CGADLP CCCCC(CCCC)[NH2+]CCc1[nH+]ccn1C ZINC001258385040 807433983 /nfs/dbraw/zinc/43/39/83/807433983.db2.gz OPMBABDHRHIESY-UHFFFAOYSA-N 2 2 251.418 3.301 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258453897 807460285 /nfs/dbraw/zinc/46/02/85/807460285.db2.gz GANXFLNGVPFIQV-CQSZACIVSA-N 2 2 288.435 3.135 20 0 CGADLP CC[C@@H](C)C[C@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695947 807486718 /nfs/dbraw/zinc/48/67/18/807486718.db2.gz WWEFLYAQHLXHRN-HLLBOEOZSA-N 2 2 289.467 3.456 20 0 CGADLP CC[C@@H](C)C[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695947 807486726 /nfs/dbraw/zinc/48/67/26/807486726.db2.gz WWEFLYAQHLXHRN-HLLBOEOZSA-N 2 2 289.467 3.456 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001258530766 807487738 /nfs/dbraw/zinc/48/77/38/807487738.db2.gz QXDGHZHIMSGCQK-JCYILVPMSA-N 2 2 294.483 3.188 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001258530766 807487742 /nfs/dbraw/zinc/48/77/42/807487742.db2.gz QXDGHZHIMSGCQK-JCYILVPMSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690163 807545737 /nfs/dbraw/zinc/54/57/37/807545737.db2.gz PAAHIVKFIIIZNB-VNQPRFMTSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690163 807545742 /nfs/dbraw/zinc/54/57/42/807545742.db2.gz PAAHIVKFIIIZNB-VNQPRFMTSA-N 2 2 264.457 3.275 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001258701582 807555815 /nfs/dbraw/zinc/55/58/15/807555815.db2.gz KJQJTEYWINVNHZ-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001258701582 807555821 /nfs/dbraw/zinc/55/58/21/807555821.db2.gz KJQJTEYWINVNHZ-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001169084240 807569286 /nfs/dbraw/zinc/56/92/86/807569286.db2.gz IBMPAIOLPSPGHP-IBGZPJMESA-N 2 2 286.463 3.424 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001169084240 807569288 /nfs/dbraw/zinc/56/92/88/807569288.db2.gz IBMPAIOLPSPGHP-IBGZPJMESA-N 2 2 286.463 3.424 20 0 CGADLP CCC[NH+]1CCC([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001258776211 807606862 /nfs/dbraw/zinc/60/68/62/807606862.db2.gz YLZMPPARGROTDR-OAHLLOKOSA-N 2 2 282.447 3.465 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001258802291 807622944 /nfs/dbraw/zinc/62/29/44/807622944.db2.gz KTUZYILNQBUDOA-JCYILVPMSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001258802291 807622947 /nfs/dbraw/zinc/62/29/47/807622947.db2.gz KTUZYILNQBUDOA-JCYILVPMSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)C1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001258806273 807625921 /nfs/dbraw/zinc/62/59/21/807625921.db2.gz OTCQYVRJIAGYDV-MYBQVCMBSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001258806273 807625926 /nfs/dbraw/zinc/62/59/26/807625926.db2.gz OTCQYVRJIAGYDV-MYBQVCMBSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001258806273 807625927 /nfs/dbraw/zinc/62/59/27/807625927.db2.gz OTCQYVRJIAGYDV-MYBQVCMBSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001258806273 807625932 /nfs/dbraw/zinc/62/59/32/807625932.db2.gz OTCQYVRJIAGYDV-MYBQVCMBSA-N 2 2 264.457 3.227 20 0 CGADLP COc1ccccc1C[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258893478 807665670 /nfs/dbraw/zinc/66/56/70/807665670.db2.gz JZYSNITXFHBMDT-GDBMZVCRSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)=C1CCC1 ZINC001261258736 807722995 /nfs/dbraw/zinc/72/29/95/807722995.db2.gz LPFAPUWGXLEJEM-UHFFFAOYSA-N 2 2 282.347 3.015 20 0 CGADLP Cc1occc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001261367175 807739467 /nfs/dbraw/zinc/73/94/67/807739467.db2.gz VIRFUWSQUFMIFB-INIZCTEOSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1occc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001261367175 807739472 /nfs/dbraw/zinc/73/94/72/807739472.db2.gz VIRFUWSQUFMIFB-INIZCTEOSA-N 2 2 285.391 3.368 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001170266856 807808910 /nfs/dbraw/zinc/80/89/10/807808910.db2.gz QVPNZBWHBZOCKD-CYBMUJFWSA-N 2 2 290.794 3.335 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCCCC2 ZINC001262275560 807845669 /nfs/dbraw/zinc/84/56/69/807845669.db2.gz FSDLMQYBGZVWMB-JKSUJKDBSA-N 2 2 291.439 3.244 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171411267 808050846 /nfs/dbraw/zinc/05/08/46/808050846.db2.gz HGLLSGPGASDDPD-CVEARBPZSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171411267 808050852 /nfs/dbraw/zinc/05/08/52/808050852.db2.gz HGLLSGPGASDDPD-CVEARBPZSA-N 2 2 290.426 3.003 20 0 CGADLP Fc1cccc2c1CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171420079 808052633 /nfs/dbraw/zinc/05/26/33/808052633.db2.gz YGLBWXIBTPQSHJ-HNNXBMFYSA-N 2 2 295.361 3.121 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C2 ZINC001171549804 808092010 /nfs/dbraw/zinc/09/20/10/808092010.db2.gz OYNRQVUWSYMVBR-GOSISDBHSA-N 2 2 286.463 3.174 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171670269 808119344 /nfs/dbraw/zinc/11/93/44/808119344.db2.gz KBHJLCFJFYYXRJ-OAHLLOKOSA-N 2 2 283.419 3.337 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171670269 808119346 /nfs/dbraw/zinc/11/93/46/808119346.db2.gz KBHJLCFJFYYXRJ-OAHLLOKOSA-N 2 2 283.419 3.337 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(F)c1F)C2 ZINC001172102271 808174953 /nfs/dbraw/zinc/17/49/53/808174953.db2.gz LOTZBSNFWPGPNV-CNDDSTCGSA-N 2 2 298.352 3.209 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(F)c1F)C2 ZINC001172102271 808174956 /nfs/dbraw/zinc/17/49/56/808174956.db2.gz LOTZBSNFWPGPNV-CNDDSTCGSA-N 2 2 298.352 3.209 20 0 CGADLP CC(C)OCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172446061 808319299 /nfs/dbraw/zinc/31/92/99/808319299.db2.gz VUAGODSJUINYNI-CQSZACIVSA-N 2 2 287.407 3.385 20 0 CGADLP CC1(C)CC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001172659334 808411874 /nfs/dbraw/zinc/41/18/74/808411874.db2.gz UPIJLPWRYQTEBB-CYBMUJFWSA-N 2 2 291.439 3.259 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172864662 808469294 /nfs/dbraw/zinc/46/92/94/808469294.db2.gz ZSDDYMKITIMBQK-CHWSQXEVSA-N 2 2 298.833 3.484 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001173248772 808557022 /nfs/dbraw/zinc/55/70/22/808557022.db2.gz IEQULOWAKPQCNK-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001173248772 808557027 /nfs/dbraw/zinc/55/70/27/808557027.db2.gz IEQULOWAKPQCNK-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001173272495 808575701 /nfs/dbraw/zinc/57/57/01/808575701.db2.gz KDGHRQYCISOSHR-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001173272495 808575702 /nfs/dbraw/zinc/57/57/02/808575702.db2.gz KDGHRQYCISOSHR-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH+](C)C[C@@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347089 808624296 /nfs/dbraw/zinc/62/42/96/808624296.db2.gz WVCBPOGQPIOEEX-DLBZAZTESA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+](C)C[C@@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347089 808624301 /nfs/dbraw/zinc/62/43/01/808624301.db2.gz WVCBPOGQPIOEEX-DLBZAZTESA-N 2 2 294.483 3.142 20 0 CGADLP c1cn2ccc(Nc3cc[nH+]c4ccccc34)cc2[nH+]1 ZINC001174037865 808835427 /nfs/dbraw/zinc/83/54/27/808835427.db2.gz HPNHXGQXJLSDGS-UHFFFAOYSA-N 2 2 260.300 3.048 20 0 CGADLP C1=CO[C@H](C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001274899706 808891303 /nfs/dbraw/zinc/89/13/03/808891303.db2.gz LOASZQMGWHOULK-KRWDZBQOSA-N 2 2 290.451 3.020 20 0 CGADLP C1=CO[C@H](C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001274899706 808891314 /nfs/dbraw/zinc/89/13/14/808891314.db2.gz LOASZQMGWHOULK-KRWDZBQOSA-N 2 2 290.451 3.020 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275102295 808908110 /nfs/dbraw/zinc/90/81/10/808908110.db2.gz KRQPPQVSOXOEFB-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275102295 808908116 /nfs/dbraw/zinc/90/81/16/808908116.db2.gz KRQPPQVSOXOEFB-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275102295 808908119 /nfs/dbraw/zinc/90/81/19/808908119.db2.gz KRQPPQVSOXOEFB-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275102295 808908123 /nfs/dbraw/zinc/90/81/23/808908123.db2.gz KRQPPQVSOXOEFB-SFHVURJKSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC)s1 ZINC001275732676 808961386 /nfs/dbraw/zinc/96/13/86/808961386.db2.gz WFWKNQBJRHWGFA-YOGCLGLASA-N 2 2 282.478 3.185 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC)s1 ZINC001275732676 808961390 /nfs/dbraw/zinc/96/13/90/808961390.db2.gz WFWKNQBJRHWGFA-YOGCLGLASA-N 2 2 282.478 3.185 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)nc1 ZINC001275872512 808972636 /nfs/dbraw/zinc/97/26/36/808972636.db2.gz JCXKDSSWIXTJGR-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)nc1 ZINC001275872512 808972642 /nfs/dbraw/zinc/97/26/42/808972642.db2.gz JCXKDSSWIXTJGR-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)nc1 ZINC001275872512 808972645 /nfs/dbraw/zinc/97/26/45/808972645.db2.gz JCXKDSSWIXTJGR-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)nc1 ZINC001275872512 808972648 /nfs/dbraw/zinc/97/26/48/808972648.db2.gz JCXKDSSWIXTJGR-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP Cc1ccc(CC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC001278072771 809114250 /nfs/dbraw/zinc/11/42/50/809114250.db2.gz JUBVOIHFNXTGBW-UHFFFAOYSA-N 2 2 298.474 3.488 20 0 CGADLP Cc1ccc(CC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001278072771 809114255 /nfs/dbraw/zinc/11/42/55/809114255.db2.gz JUBVOIHFNXTGBW-UHFFFAOYSA-N 2 2 298.474 3.488 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882949 809564154 /nfs/dbraw/zinc/56/41/54/809564154.db2.gz MLUVGPAUSOMZRZ-JKSUJKDBSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882949 809564155 /nfs/dbraw/zinc/56/41/55/809564155.db2.gz MLUVGPAUSOMZRZ-JKSUJKDBSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001175882949 809564158 /nfs/dbraw/zinc/56/41/58/809564158.db2.gz MLUVGPAUSOMZRZ-JKSUJKDBSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC(C)(C)CC1 ZINC001175882949 809564159 /nfs/dbraw/zinc/56/41/59/809564159.db2.gz MLUVGPAUSOMZRZ-JKSUJKDBSA-N 2 2 264.457 3.371 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001177235672 809789040 /nfs/dbraw/zinc/78/90/40/809789040.db2.gz HYRORZKIJVLTLA-LJQANCHMSA-N 2 2 286.463 3.400 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001179044311 809901691 /nfs/dbraw/zinc/90/16/91/809901691.db2.gz AMRUYKJEDNSYCO-ROUUACIJSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001179044311 809901695 /nfs/dbraw/zinc/90/16/95/809901695.db2.gz AMRUYKJEDNSYCO-ROUUACIJSA-N 2 2 272.436 3.410 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905942 809956318 /nfs/dbraw/zinc/95/63/18/809956318.db2.gz QJCMTBUILWWPIT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905942 809956322 /nfs/dbraw/zinc/95/63/22/809956322.db2.gz QJCMTBUILWWPIT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905942 809956325 /nfs/dbraw/zinc/95/63/25/809956325.db2.gz QJCMTBUILWWPIT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905942 809956328 /nfs/dbraw/zinc/95/63/28/809956328.db2.gz QJCMTBUILWWPIT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281048 811046100 /nfs/dbraw/zinc/04/61/00/811046100.db2.gz YSDMLELTKSAVLC-DLBZAZTESA-N 2 2 296.499 3.245 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281048 811046104 /nfs/dbraw/zinc/04/61/04/811046104.db2.gz YSDMLELTKSAVLC-DLBZAZTESA-N 2 2 296.499 3.245 20 0 CGADLP Cc1cc2cc(C[NH2+]CCC[NH+](C)C)oc2cc1C ZINC001198935174 811551889 /nfs/dbraw/zinc/55/18/89/811551889.db2.gz JTYZUWLMNGADRW-UHFFFAOYSA-N 2 2 260.381 3.091 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cccc3[nH+]ccn32)c1 ZINC001201385183 811823731 /nfs/dbraw/zinc/82/37/31/811823731.db2.gz ZFQSPRJXSKFYBU-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP CNc1ccccc1C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC001202522081 812115621 /nfs/dbraw/zinc/11/56/21/812115621.db2.gz ZAFQELLJJBJAPL-KRWDZBQOSA-N 2 2 289.467 3.328 20 0 CGADLP Cc1cc(Nc2ccc(C)[nH+]c2C)n(-c2cc[nH+]cc2)n1 ZINC001203369659 812328961 /nfs/dbraw/zinc/32/89/61/812328961.db2.gz RMUKQRLQHXRGGK-UHFFFAOYSA-N 2 2 279.347 3.331 20 0 CGADLP COc1ccc2c(c1)[nH+]ccc2-n1c(N)[nH+]c2ccccc21 ZINC001203519528 812380613 /nfs/dbraw/zinc/38/06/13/812380613.db2.gz KALGAKRHDPIGCD-UHFFFAOYSA-N 2 2 290.326 3.165 20 0 CGADLP CC(C)[N@H+](Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001203788513 812462063 /nfs/dbraw/zinc/46/20/63/812462063.db2.gz NAKKNSRUTITORF-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001203788513 812462065 /nfs/dbraw/zinc/46/20/65/812462065.db2.gz NAKKNSRUTITORF-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1C ZINC001203899314 812486012 /nfs/dbraw/zinc/48/60/12/812486012.db2.gz PGDWKUKUHFJWDH-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001203899314 812486016 /nfs/dbraw/zinc/48/60/16/812486016.db2.gz PGDWKUKUHFJWDH-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP C[N@H+](Cc1cccnc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204077383 812543955 /nfs/dbraw/zinc/54/39/55/812543955.db2.gz RLMQPVBXEKBSHT-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP C[N@@H+](Cc1cccnc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001204077383 812543958 /nfs/dbraw/zinc/54/39/58/812543958.db2.gz RLMQPVBXEKBSHT-UHFFFAOYSA-N 2 2 287.451 3.311 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243786 812584238 /nfs/dbraw/zinc/58/42/38/812584238.db2.gz KBNSEWFUNQTIJY-OALUTQOASA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243786 812584243 /nfs/dbraw/zinc/58/42/43/812584243.db2.gz KBNSEWFUNQTIJY-OALUTQOASA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243786 812584246 /nfs/dbraw/zinc/58/42/46/812584246.db2.gz KBNSEWFUNQTIJY-OALUTQOASA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC001204243786 812584250 /nfs/dbraw/zinc/58/42/50/812584250.db2.gz KBNSEWFUNQTIJY-OALUTQOASA-N 2 2 296.414 3.234 20 0 CGADLP CC[N@H+](Cc1c(C)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001204288567 812599807 /nfs/dbraw/zinc/59/98/07/812599807.db2.gz JMCNZJGWZFIPOK-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1c(C)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001204288567 812599811 /nfs/dbraw/zinc/59/98/11/812599811.db2.gz JMCNZJGWZFIPOK-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)o1 ZINC001204675574 812705917 /nfs/dbraw/zinc/70/59/17/812705917.db2.gz SUFQECKPVIQYSA-UHFFFAOYSA-N 2 2 270.376 3.050 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)o1 ZINC001204675574 812705922 /nfs/dbraw/zinc/70/59/22/812705922.db2.gz SUFQECKPVIQYSA-UHFFFAOYSA-N 2 2 270.376 3.050 20 0 CGADLP CC[C@H]([NH3+])C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869740 812759044 /nfs/dbraw/zinc/75/90/44/812759044.db2.gz HYVJJXGPCBHEKP-HNNXBMFYSA-N 2 2 264.800 3.166 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869740 812759051 /nfs/dbraw/zinc/75/90/51/812759051.db2.gz HYVJJXGPCBHEKP-HNNXBMFYSA-N 2 2 264.800 3.166 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC001204877160 812760736 /nfs/dbraw/zinc/76/07/36/812760736.db2.gz AIZQJMONLKJSHA-HNNXBMFYSA-N 2 2 254.377 3.071 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC001204877160 812760743 /nfs/dbraw/zinc/76/07/43/812760743.db2.gz AIZQJMONLKJSHA-HNNXBMFYSA-N 2 2 254.377 3.071 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)CC12CC2 ZINC001204903994 812771100 /nfs/dbraw/zinc/77/11/00/812771100.db2.gz JKLKUXZZXNDCSP-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)CC12CC2 ZINC001204903994 812771106 /nfs/dbraw/zinc/77/11/06/812771106.db2.gz JKLKUXZZXNDCSP-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC001204933879 812783312 /nfs/dbraw/zinc/78/33/12/812783312.db2.gz YAFKIJZKUYENBG-IBGZPJMESA-N 2 2 297.446 3.219 20 0 CGADLP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC001204933879 812783318 /nfs/dbraw/zinc/78/33/18/812783318.db2.gz YAFKIJZKUYENBG-IBGZPJMESA-N 2 2 297.446 3.219 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204944815 812791062 /nfs/dbraw/zinc/79/10/62/812791062.db2.gz COLRPGOGKJBNJL-KRWDZBQOSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204944815 812791065 /nfs/dbraw/zinc/79/10/65/812791065.db2.gz COLRPGOGKJBNJL-KRWDZBQOSA-N 2 2 276.424 3.177 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947250 812793180 /nfs/dbraw/zinc/79/31/80/812793180.db2.gz WWUFJQHNSYRSFJ-OAHLLOKOSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947250 812793183 /nfs/dbraw/zinc/79/31/83/812793183.db2.gz WWUFJQHNSYRSFJ-OAHLLOKOSA-N 2 2 264.438 3.112 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205110473 812871441 /nfs/dbraw/zinc/87/14/41/812871441.db2.gz SVTJXHUDWRCTJA-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC001205110473 812871448 /nfs/dbraw/zinc/87/14/48/812871448.db2.gz SVTJXHUDWRCTJA-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205265309 812921697 /nfs/dbraw/zinc/92/16/97/812921697.db2.gz PSRMRJQBYIGKTL-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205265309 812921706 /nfs/dbraw/zinc/92/17/06/812921706.db2.gz PSRMRJQBYIGKTL-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205265152 812921751 /nfs/dbraw/zinc/92/17/51/812921751.db2.gz NUSBHBPPDWZSOZ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001205265152 812921756 /nfs/dbraw/zinc/92/17/56/812921756.db2.gz NUSBHBPPDWZSOZ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205265311 812922120 /nfs/dbraw/zinc/92/21/20/812922120.db2.gz PSRMRJQBYIGKTL-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC001205265311 812922121 /nfs/dbraw/zinc/92/21/21/812922121.db2.gz PSRMRJQBYIGKTL-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205339478 812961707 /nfs/dbraw/zinc/96/17/07/812961707.db2.gz JJHDPSKJDIHLPJ-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205339478 812961714 /nfs/dbraw/zinc/96/17/14/812961714.db2.gz JJHDPSKJDIHLPJ-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP c1cc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC001205563187 813004166 /nfs/dbraw/zinc/00/41/66/813004166.db2.gz KQFPQWWSAYZQIK-UHFFFAOYSA-N 2 2 283.419 3.228 20 0 CGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCC1(F)F ZINC001205761475 813068515 /nfs/dbraw/zinc/06/85/15/813068515.db2.gz HBZIJDPXRAETOU-GFCCVEGCSA-N 2 2 290.304 3.040 20 0 CGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCC1(F)F ZINC001205761475 813068524 /nfs/dbraw/zinc/06/85/24/813068524.db2.gz HBZIJDPXRAETOU-GFCCVEGCSA-N 2 2 290.304 3.040 20 0 CGADLP CCCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205806854 813088029 /nfs/dbraw/zinc/08/80/29/813088029.db2.gz WGOGKPHRFSFZMP-GOEBONIOSA-N 2 2 276.424 3.035 20 0 CGADLP CCCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205806854 813088036 /nfs/dbraw/zinc/08/80/36/813088036.db2.gz WGOGKPHRFSFZMP-GOEBONIOSA-N 2 2 276.424 3.035 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806944 813088436 /nfs/dbraw/zinc/08/84/36/813088436.db2.gz WSTBSRBSSDQTPC-GOEBONIOSA-N 2 2 298.430 3.408 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806944 813088446 /nfs/dbraw/zinc/08/84/46/813088446.db2.gz WSTBSRBSSDQTPC-GOEBONIOSA-N 2 2 298.430 3.408 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(C)c1F ZINC001205828432 813100791 /nfs/dbraw/zinc/10/07/91/813100791.db2.gz LBDQLJMQDUIUSQ-IAQYHMDHSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(C)c1F ZINC001205828432 813100793 /nfs/dbraw/zinc/10/07/93/813100793.db2.gz LBDQLJMQDUIUSQ-IAQYHMDHSA-N 2 2 264.388 3.002 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205842849 813104623 /nfs/dbraw/zinc/10/46/23/813104623.db2.gz PQKRICNAAXLTKB-KDOFPFPSSA-N 2 2 298.430 3.408 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205842849 813104627 /nfs/dbraw/zinc/10/46/27/813104627.db2.gz PQKRICNAAXLTKB-KDOFPFPSSA-N 2 2 298.430 3.408 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880604 813117864 /nfs/dbraw/zinc/11/78/64/813117864.db2.gz NKGUOVFALFJAJM-YGRLFVJLSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880604 813117866 /nfs/dbraw/zinc/11/78/66/813117866.db2.gz NKGUOVFALFJAJM-YGRLFVJLSA-N 2 2 286.341 3.183 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001205902852 813124823 /nfs/dbraw/zinc/12/48/23/813124823.db2.gz MAFZWWJJJIDHJC-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001205902852 813124827 /nfs/dbraw/zinc/12/48/27/813124827.db2.gz MAFZWWJJJIDHJC-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205933077 813140693 /nfs/dbraw/zinc/14/06/93/813140693.db2.gz XJFMBGOXQQFINJ-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205933077 813140696 /nfs/dbraw/zinc/14/06/96/813140696.db2.gz XJFMBGOXQQFINJ-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205938651 813141266 /nfs/dbraw/zinc/14/12/66/813141266.db2.gz JCMJDJRXDWPGQW-KRWDZBQOSA-N 2 2 284.403 3.162 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205938651 813141271 /nfs/dbraw/zinc/14/12/71/813141271.db2.gz JCMJDJRXDWPGQW-KRWDZBQOSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc2c1 ZINC001205938703 813141788 /nfs/dbraw/zinc/14/17/88/813141788.db2.gz JTMCMLAECMYVRR-ZDUSSCGKSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc2c1 ZINC001205938703 813141792 /nfs/dbraw/zinc/14/17/92/813141792.db2.gz JTMCMLAECMYVRR-ZDUSSCGKSA-N 2 2 290.432 3.223 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206043721 813179885 /nfs/dbraw/zinc/17/98/85/813179885.db2.gz UMGSLWODGWRNKC-OXQOHEQNSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206043721 813179890 /nfs/dbraw/zinc/17/98/90/813179890.db2.gz UMGSLWODGWRNKC-OXQOHEQNSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1[NH3+] ZINC001206048937 813180539 /nfs/dbraw/zinc/18/05/39/813180539.db2.gz BVOVRBPHOZVPNB-CXAGYDPISA-N 2 2 258.409 3.123 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1[NH3+] ZINC001206048937 813180545 /nfs/dbraw/zinc/18/05/45/813180545.db2.gz BVOVRBPHOZVPNB-CXAGYDPISA-N 2 2 258.409 3.123 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001206337890 813293814 /nfs/dbraw/zinc/29/38/14/813293814.db2.gz WPNXFVJOYCFVDE-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206337890 813293820 /nfs/dbraw/zinc/29/38/20/813293820.db2.gz WPNXFVJOYCFVDE-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1F ZINC001206548782 813348859 /nfs/dbraw/zinc/34/88/59/813348859.db2.gz IZAADEILUKFCJU-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1F ZINC001206548782 813348865 /nfs/dbraw/zinc/34/88/65/813348865.db2.gz IZAADEILUKFCJU-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2csc(Cl)c2)C1 ZINC001206556899 813352722 /nfs/dbraw/zinc/35/27/22/813352722.db2.gz ZKYPKHMWCBQEHG-CYBMUJFWSA-N 2 2 272.845 3.352 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2csc(Cl)c2)C1 ZINC001206556899 813352730 /nfs/dbraw/zinc/35/27/30/813352730.db2.gz ZKYPKHMWCBQEHG-CYBMUJFWSA-N 2 2 272.845 3.352 20 0 CGADLP CC[N@H+](CCCc1cccc(Cl)c1)CCn1cc[nH+]c1 ZINC001207593302 813603857 /nfs/dbraw/zinc/60/38/57/813603857.db2.gz IHBDXMRJOPONEG-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP CC[N@@H+](CCCc1cccc(Cl)c1)CCn1cc[nH+]c1 ZINC001207593302 813603861 /nfs/dbraw/zinc/60/38/61/813603861.db2.gz IHBDXMRJOPONEG-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171753 813726303 /nfs/dbraw/zinc/72/63/03/813726303.db2.gz XBJQFGKNGFKCEG-ZJPYXAASSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171753 813726306 /nfs/dbraw/zinc/72/63/06/813726306.db2.gz XBJQFGKNGFKCEG-ZJPYXAASSA-N 2 2 294.458 3.487 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777088 /nfs/dbraw/zinc/77/70/88/813777088.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777094 /nfs/dbraw/zinc/77/70/94/813777094.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777102 /nfs/dbraw/zinc/77/71/02/813777102.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777109 /nfs/dbraw/zinc/77/71/09/813777109.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP CC[N@@H+](CCc1ccc(Cl)cc1)CCn1cc[nH+]c1 ZINC001208742271 813832402 /nfs/dbraw/zinc/83/24/02/813832402.db2.gz MWVDZYLGZBJRGP-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP CC[N@H+](CCc1ccc(Cl)cc1)CCn1cc[nH+]c1 ZINC001208742271 813832414 /nfs/dbraw/zinc/83/24/14/813832414.db2.gz MWVDZYLGZBJRGP-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)Cc1c[nH+]ccc1N ZINC001209733253 814125020 /nfs/dbraw/zinc/12/50/20/814125020.db2.gz TUULKNPQCUVWHX-UHFFFAOYSA-N 2 2 269.392 3.133 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1c[nH+]ccc1N ZINC001209733253 814125025 /nfs/dbraw/zinc/12/50/25/814125025.db2.gz TUULKNPQCUVWHX-UHFFFAOYSA-N 2 2 269.392 3.133 20 0 CGADLP CC(C)CC[NH+](CCC(C)C)Cc1c[nH+]ccc1N ZINC001209733492 814125803 /nfs/dbraw/zinc/12/58/03/814125803.db2.gz YJTLBTHCPZGDQF-UHFFFAOYSA-N 2 2 263.429 3.388 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)CC[NH2+]1 ZINC001210499776 814491368 /nfs/dbraw/zinc/49/13/68/814491368.db2.gz WWRSPJIDZRJFEM-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[NH2+]1 ZINC001210499776 814491370 /nfs/dbraw/zinc/49/13/70/814491370.db2.gz WWRSPJIDZRJFEM-CYBMUJFWSA-N 2 2 272.367 3.163 20 0 CGADLP CCN(C)c1ccc(Nc2ccc(C[NH2+]C)cc2)c[nH+]1 ZINC001211130113 814756554 /nfs/dbraw/zinc/75/65/54/814756554.db2.gz JQQAOFOUNXRSSN-UHFFFAOYSA-N 2 2 270.380 3.001 20 0 CGADLP c1c[nH+]c(-c2ccc(O[C@H]3C[NH2+]Cc4ccccc43)cc2)[nH]1 ZINC001218490970 816245154 /nfs/dbraw/zinc/24/51/54/816245154.db2.gz TUNLUZFCCXYIBU-KRWDZBQOSA-N 2 2 291.354 3.300 20 0 CGADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222237762 816383437 /nfs/dbraw/zinc/38/34/37/816383437.db2.gz SINTYBXAUDCULZ-INIZCTEOSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222237762 816383443 /nfs/dbraw/zinc/38/34/43/816383443.db2.gz SINTYBXAUDCULZ-INIZCTEOSA-N 2 2 296.361 3.006 20 0 CGADLP Cc1ccc(-c2ccc(C[NH+]3CC4(C3)CCC[NH2+]C4)cc2)o1 ZINC001222340935 816412592 /nfs/dbraw/zinc/41/25/92/816412592.db2.gz VKNSWTOUGWNGGZ-UHFFFAOYSA-N 2 2 296.414 3.440 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc21 ZINC001222344984 816413988 /nfs/dbraw/zinc/41/39/88/816413988.db2.gz FUHJCPNQYINMKH-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc21 ZINC001222344984 816413994 /nfs/dbraw/zinc/41/39/94/816413994.db2.gz FUHJCPNQYINMKH-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2OC)cc1 ZINC001242993145 823202054 /nfs/dbraw/zinc/20/20/54/823202054.db2.gz DSCHCZXBXSWSSO-UHFFFAOYSA-N 2 2 293.370 3.267 20 0 CGADLP c1[nH]c2cnccc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001231513954 818117530 /nfs/dbraw/zinc/11/75/30/818117530.db2.gz GXDVKEGXSCOVCN-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)nc1 ZINC001231537668 818121821 /nfs/dbraw/zinc/12/18/21/818121821.db2.gz OEWYVSOJPUQACK-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(C)C)nc1 ZINC001231537668 818121825 /nfs/dbraw/zinc/12/18/25/818121825.db2.gz OEWYVSOJPUQACK-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)O[C@H](C)c2ccccc23)c[nH+]1 ZINC001232467948 818360578 /nfs/dbraw/zinc/36/05/78/818360578.db2.gz IZXHXWAHUVHNTM-CYBMUJFWSA-N 2 2 297.402 3.301 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)o1)C1CC[NH+](C)CC1 ZINC001233317305 818575300 /nfs/dbraw/zinc/57/53/00/818575300.db2.gz GZTVWKBZVBXHLL-UHFFFAOYSA-N 2 2 270.804 3.238 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)o1)C1CC[NH+](C)CC1 ZINC001233317305 818575303 /nfs/dbraw/zinc/57/53/03/818575303.db2.gz GZTVWKBZVBXHLL-UHFFFAOYSA-N 2 2 270.804 3.238 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1-n1cc[nH+]c1 ZINC001234032178 818762141 /nfs/dbraw/zinc/76/21/41/818762141.db2.gz HPYDBMAVRBTOEF-CQSZACIVSA-N 2 2 285.391 3.255 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@H]2C)ccc1-n1cc[nH+]c1 ZINC001234032178 818762144 /nfs/dbraw/zinc/76/21/44/818762144.db2.gz HPYDBMAVRBTOEF-CQSZACIVSA-N 2 2 285.391 3.255 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235002695 818974191 /nfs/dbraw/zinc/97/41/91/818974191.db2.gz XCHGLKHJPRTGRU-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235002695 818974197 /nfs/dbraw/zinc/97/41/97/818974197.db2.gz XCHGLKHJPRTGRU-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC001235001004 818974648 /nfs/dbraw/zinc/97/46/48/818974648.db2.gz QWBLELPRSMALSE-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC001235001004 818974652 /nfs/dbraw/zinc/97/46/52/818974652.db2.gz QWBLELPRSMALSE-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235111078 819005957 /nfs/dbraw/zinc/00/59/57/819005957.db2.gz OLDALTWPAFKEPR-SFHVURJKSA-N 2 2 272.436 3.312 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235111078 819005961 /nfs/dbraw/zinc/00/59/61/819005961.db2.gz OLDALTWPAFKEPR-SFHVURJKSA-N 2 2 272.436 3.312 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209021 819036644 /nfs/dbraw/zinc/03/66/44/819036644.db2.gz GYRKWBCMBUJRIH-MSOLQXFVSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235209021 819036652 /nfs/dbraw/zinc/03/66/52/819036652.db2.gz GYRKWBCMBUJRIH-MSOLQXFVSA-N 2 2 272.436 3.036 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c2ccccc12 ZINC001235235270 819042620 /nfs/dbraw/zinc/04/26/20/819042620.db2.gz GHEGPUZTTRPUBY-MSOLQXFVSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c2ccccc12 ZINC001235235270 819042628 /nfs/dbraw/zinc/04/26/28/819042628.db2.gz GHEGPUZTTRPUBY-MSOLQXFVSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235245475 819046609 /nfs/dbraw/zinc/04/66/09/819046609.db2.gz ONCLSTKJYMHDBP-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235245475 819046613 /nfs/dbraw/zinc/04/66/13/819046613.db2.gz ONCLSTKJYMHDBP-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1Cl ZINC001235262181 819054980 /nfs/dbraw/zinc/05/49/80/819054980.db2.gz KEGLLESGTNIKKO-LSDHHAIUSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1Cl ZINC001235262181 819054986 /nfs/dbraw/zinc/05/49/86/819054986.db2.gz KEGLLESGTNIKKO-LSDHHAIUSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272658 819059442 /nfs/dbraw/zinc/05/94/42/819059442.db2.gz QPISCCUPBNNGFF-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272658 819059446 /nfs/dbraw/zinc/05/94/46/819059446.db2.gz QPISCCUPBNNGFF-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347944 819074803 /nfs/dbraw/zinc/07/48/03/819074803.db2.gz UXCDANNDRYLILD-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347944 819074809 /nfs/dbraw/zinc/07/48/09/819074809.db2.gz UXCDANNDRYLILD-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP CCCCc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235347692 819075223 /nfs/dbraw/zinc/07/52/23/819075223.db2.gz SITZWMSIVLMAKB-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCCc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001235347692 819075229 /nfs/dbraw/zinc/07/52/29/819075229.db2.gz SITZWMSIVLMAKB-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235677007 819136573 /nfs/dbraw/zinc/13/65/73/819136573.db2.gz WALDNJAOLBPAHM-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235677007 819136579 /nfs/dbraw/zinc/13/65/79/819136579.db2.gz WALDNJAOLBPAHM-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)s1 ZINC001235902902 819212405 /nfs/dbraw/zinc/21/24/05/819212405.db2.gz GWJYWPQTHOLIOV-VXGBXAGGSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)s1 ZINC001235902902 819212409 /nfs/dbraw/zinc/21/24/09/819212409.db2.gz GWJYWPQTHOLIOV-VXGBXAGGSA-N 2 2 252.427 3.012 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+](CC[NH3+])C(C)C ZINC001235947824 819237152 /nfs/dbraw/zinc/23/71/52/819237152.db2.gz GQZSDSUKIAVRRK-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+](CC[NH3+])C(C)C ZINC001235947824 819237157 /nfs/dbraw/zinc/23/71/57/819237157.db2.gz GQZSDSUKIAVRRK-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP CC(C)[N@H+](CC[NH3+])CCc1c(Cl)cccc1Cl ZINC001235948853 819237981 /nfs/dbraw/zinc/23/79/81/819237981.db2.gz UCUVDXPERQKGIJ-UHFFFAOYSA-N 2 2 275.223 3.205 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])CCc1c(Cl)cccc1Cl ZINC001235948853 819237985 /nfs/dbraw/zinc/23/79/85/819237985.db2.gz UCUVDXPERQKGIJ-UHFFFAOYSA-N 2 2 275.223 3.205 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1ccc(Br)cc1 ZINC001235961373 819250205 /nfs/dbraw/zinc/25/02/05/819250205.db2.gz BCPFKDZTTICOMZ-CYBMUJFWSA-N 2 2 285.229 3.008 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1ccc(Br)cc1 ZINC001235961373 819250209 /nfs/dbraw/zinc/25/02/09/819250209.db2.gz BCPFKDZTTICOMZ-CYBMUJFWSA-N 2 2 285.229 3.008 20 0 CGADLP CC[N@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001235971437 819254856 /nfs/dbraw/zinc/25/48/56/819254856.db2.gz WLJPWFUAJHBEOK-IBGZPJMESA-N 2 2 297.446 3.090 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(N(C)C)ccc2c1)[C@H]1CC[NH2+]C1 ZINC001235971437 819254862 /nfs/dbraw/zinc/25/48/62/819254862.db2.gz WLJPWFUAJHBEOK-IBGZPJMESA-N 2 2 297.446 3.090 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990332 819261613 /nfs/dbraw/zinc/26/16/13/819261613.db2.gz LYODEDNKYHQGSI-WOJBJXKFSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990332 819261617 /nfs/dbraw/zinc/26/16/17/819261617.db2.gz LYODEDNKYHQGSI-WOJBJXKFSA-N 2 2 292.426 3.201 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235998435 819267331 /nfs/dbraw/zinc/26/73/31/819267331.db2.gz YUYLFBQAMJFPLP-RHSMWYFYSA-N 2 2 299.443 3.042 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235998435 819267332 /nfs/dbraw/zinc/26/73/32/819267332.db2.gz YUYLFBQAMJFPLP-RHSMWYFYSA-N 2 2 299.443 3.042 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236005737 819270169 /nfs/dbraw/zinc/27/01/69/819270169.db2.gz OMEZBTALZHLQEJ-CQSZACIVSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236005737 819270173 /nfs/dbraw/zinc/27/01/73/819270173.db2.gz OMEZBTALZHLQEJ-CQSZACIVSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001236007821 819272254 /nfs/dbraw/zinc/27/22/54/819272254.db2.gz BTUZSRPCQZUKPL-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CCC[NH2+]C1 ZINC001236007821 819272262 /nfs/dbraw/zinc/27/22/62/819272262.db2.gz BTUZSRPCQZUKPL-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236043365 819280837 /nfs/dbraw/zinc/28/08/37/819280837.db2.gz ZYBLSGKXFVOCIA-GOSISDBHSA-N 2 2 286.394 3.218 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236043365 819280846 /nfs/dbraw/zinc/28/08/46/819280846.db2.gz ZYBLSGKXFVOCIA-GOSISDBHSA-N 2 2 286.394 3.218 20 0 CGADLP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001236043999 819281570 /nfs/dbraw/zinc/28/15/70/819281570.db2.gz IDAQYMFOECCIFU-UHFFFAOYSA-N 2 2 294.483 3.334 20 0 CGADLP C(C[NH2+]C1CCCCC1)C[N@H+]1CCOC2(CCCCC2)C1 ZINC001236043999 819281574 /nfs/dbraw/zinc/28/15/74/819281574.db2.gz IDAQYMFOECCIFU-UHFFFAOYSA-N 2 2 294.483 3.334 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3sccc32)C1 ZINC001236051837 819288323 /nfs/dbraw/zinc/28/83/23/819288323.db2.gz NRUJBNHYKHJMPT-WCQYABFASA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3sccc32)C1 ZINC001236051837 819288329 /nfs/dbraw/zinc/28/83/29/819288329.db2.gz NRUJBNHYKHJMPT-WCQYABFASA-N 2 2 260.406 3.070 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001236085861 819308062 /nfs/dbraw/zinc/30/80/62/819308062.db2.gz XOTCBOYIFVJCAD-SMDDNHRTSA-N 2 2 266.816 3.039 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001236085861 819308066 /nfs/dbraw/zinc/30/80/66/819308066.db2.gz XOTCBOYIFVJCAD-SMDDNHRTSA-N 2 2 266.816 3.039 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC[NH2+]1 ZINC001236095775 819314068 /nfs/dbraw/zinc/31/40/68/819314068.db2.gz YQCJDJQXNWMUQW-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC[NH2+]1 ZINC001236095775 819314076 /nfs/dbraw/zinc/31/40/76/819314076.db2.gz YQCJDJQXNWMUQW-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)O1 ZINC001236153077 819348692 /nfs/dbraw/zinc/34/86/92/819348692.db2.gz ZHVGFBAFBRJSLI-GJZGRUSLSA-N 2 2 294.826 3.201 20 0 CGADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)O1 ZINC001236153077 819348695 /nfs/dbraw/zinc/34/86/95/819348695.db2.gz ZHVGFBAFBRJSLI-GJZGRUSLSA-N 2 2 294.826 3.201 20 0 CGADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205507 819368056 /nfs/dbraw/zinc/36/80/56/819368056.db2.gz FSONEEYQUOMDJU-SFHVURJKSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205507 819368062 /nfs/dbraw/zinc/36/80/62/819368062.db2.gz FSONEEYQUOMDJU-SFHVURJKSA-N 2 2 290.451 3.438 20 0 CGADLP COc1cc(C)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1C ZINC001236207374 819369872 /nfs/dbraw/zinc/36/98/72/819369872.db2.gz NPKYUKXZOBYVDO-GOSISDBHSA-N 2 2 290.451 3.194 20 0 CGADLP COc1cc(C)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1C ZINC001236207374 819369876 /nfs/dbraw/zinc/36/98/76/819369876.db2.gz NPKYUKXZOBYVDO-GOSISDBHSA-N 2 2 290.451 3.194 20 0 CGADLP C[N@H+](Cc1ccccc1C1CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236208692 819370463 /nfs/dbraw/zinc/37/04/63/819370463.db2.gz UGPOXNPQKBIFHK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccccc1C1CC1)[C@]1(C)CCC[NH2+]C1 ZINC001236208692 819370466 /nfs/dbraw/zinc/37/04/66/819370466.db2.gz UGPOXNPQKBIFHK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Fc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2occc21 ZINC001236241937 819401548 /nfs/dbraw/zinc/40/15/48/819401548.db2.gz UGOUMYSNYDOSQX-CQSZACIVSA-N 2 2 288.366 3.288 20 0 CGADLP Fc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2occc21 ZINC001236241937 819401549 /nfs/dbraw/zinc/40/15/49/819401549.db2.gz UGOUMYSNYDOSQX-CQSZACIVSA-N 2 2 288.366 3.288 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C(C)C ZINC001236246911 819403908 /nfs/dbraw/zinc/40/39/08/819403908.db2.gz MDFFQZDFOJJLIX-OAHLLOKOSA-N 2 2 276.424 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C(C)C ZINC001236246911 819403915 /nfs/dbraw/zinc/40/39/15/819403915.db2.gz MDFFQZDFOJJLIX-OAHLLOKOSA-N 2 2 276.424 3.050 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236247112 819403943 /nfs/dbraw/zinc/40/39/43/819403943.db2.gz PGSPDWNCHNFPEK-QGZVFWFLSA-N 2 2 278.399 3.181 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236247112 819403946 /nfs/dbraw/zinc/40/39/46/819403946.db2.gz PGSPDWNCHNFPEK-QGZVFWFLSA-N 2 2 278.399 3.181 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccsc2)cs1 ZINC001236250110 819405530 /nfs/dbraw/zinc/40/55/30/819405530.db2.gz CVDSNMBEHLHSQT-CYBMUJFWSA-N 2 2 278.446 3.400 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(-c2ccsc2)cs1 ZINC001236250110 819405534 /nfs/dbraw/zinc/40/55/34/819405534.db2.gz CVDSNMBEHLHSQT-CYBMUJFWSA-N 2 2 278.446 3.400 20 0 CGADLP COCC[N@H+](CC[C@@H](C)CCC=C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236336340 819428110 /nfs/dbraw/zinc/42/81/10/819428110.db2.gz XFWRYQBSEGAMSW-DLBZAZTESA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236336340 819428112 /nfs/dbraw/zinc/42/81/12/819428112.db2.gz XFWRYQBSEGAMSW-DLBZAZTESA-N 2 2 282.472 3.069 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236409335 819456128 /nfs/dbraw/zinc/45/61/28/819456128.db2.gz SQTKOORABDQFLZ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1cc(Cl)c(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236409335 819456131 /nfs/dbraw/zinc/45/61/31/819456131.db2.gz SQTKOORABDQFLZ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410712 819457650 /nfs/dbraw/zinc/45/76/50/819457650.db2.gz JSEPPPDRMRFNGR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1cc(F)cc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410712 819457653 /nfs/dbraw/zinc/45/76/53/819457653.db2.gz JSEPPPDRMRFNGR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1sc2ccccc2c1C ZINC001236416414 819462264 /nfs/dbraw/zinc/46/22/64/819462264.db2.gz FGCQTRVUJHAXBN-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1sc2ccccc2c1C ZINC001236416414 819462269 /nfs/dbraw/zinc/46/22/69/819462269.db2.gz FGCQTRVUJHAXBN-CYBMUJFWSA-N 2 2 274.433 3.394 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236423047 819470479 /nfs/dbraw/zinc/47/04/79/819470479.db2.gz YJCKFOLTASVZHE-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236423047 819470484 /nfs/dbraw/zinc/47/04/84/819470484.db2.gz YJCKFOLTASVZHE-WMLDXEAASA-N 2 2 276.424 3.177 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236436173 819478039 /nfs/dbraw/zinc/47/80/39/819478039.db2.gz XIHBLPKJTWXAOC-SFHVURJKSA-N 2 2 298.361 3.459 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236436173 819478043 /nfs/dbraw/zinc/47/80/43/819478043.db2.gz XIHBLPKJTWXAOC-SFHVURJKSA-N 2 2 298.361 3.459 20 0 CGADLP CC(C)C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC001236474303 819492251 /nfs/dbraw/zinc/49/22/51/819492251.db2.gz QOUWHDFTHHLZLR-GOSISDBHSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC001236474303 819492252 /nfs/dbraw/zinc/49/22/52/819492252.db2.gz QOUWHDFTHHLZLR-GOSISDBHSA-N 2 2 297.446 3.445 20 0 CGADLP COCc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236477872 819494970 /nfs/dbraw/zinc/49/49/70/819494970.db2.gz RBEIQAFJUUHLFZ-CQSZACIVSA-N 2 2 296.480 3.105 20 0 CGADLP COCc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236477872 819494974 /nfs/dbraw/zinc/49/49/74/819494974.db2.gz RBEIQAFJUUHLFZ-CQSZACIVSA-N 2 2 296.480 3.105 20 0 CGADLP Cc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1F ZINC001236633377 819557439 /nfs/dbraw/zinc/55/74/39/819557439.db2.gz GJTWYTRBWDNDRR-UHFFFAOYSA-N 2 2 294.389 3.380 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(F)c1F ZINC001236633377 819557444 /nfs/dbraw/zinc/55/74/44/819557444.db2.gz GJTWYTRBWDNDRR-UHFFFAOYSA-N 2 2 294.389 3.380 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2occc21 ZINC001236740416 819588802 /nfs/dbraw/zinc/58/88/02/819588802.db2.gz XHXJOSMTJCVAGA-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2occc21 ZINC001236740416 819588805 /nfs/dbraw/zinc/58/88/05/819588805.db2.gz XHXJOSMTJCVAGA-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236854174 819622975 /nfs/dbraw/zinc/62/29/75/819622975.db2.gz GSFQUYKNQIFWSU-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP c1cnc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001237153031 819681092 /nfs/dbraw/zinc/68/10/92/819681092.db2.gz BGXFZQIVUGLFMX-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001237153031 819681094 /nfs/dbraw/zinc/68/10/94/819681094.db2.gz BGXFZQIVUGLFMX-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185872 819691728 /nfs/dbraw/zinc/69/17/28/819691728.db2.gz SJEDWUYFRKSBEG-PKOBYXMFSA-N 2 2 280.415 3.317 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185872 819691732 /nfs/dbraw/zinc/69/17/32/819691732.db2.gz SJEDWUYFRKSBEG-PKOBYXMFSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185872 819691734 /nfs/dbraw/zinc/69/17/34/819691734.db2.gz SJEDWUYFRKSBEG-PKOBYXMFSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185872 819691739 /nfs/dbraw/zinc/69/17/39/819691739.db2.gz SJEDWUYFRKSBEG-PKOBYXMFSA-N 2 2 280.415 3.317 20 0 CGADLP c1ccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237305930 819720977 /nfs/dbraw/zinc/72/09/77/819720977.db2.gz XSATTYIIGMUVEC-UHFFFAOYSA-N 2 2 278.399 3.281 20 0 CGADLP c1ccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237305930 819720982 /nfs/dbraw/zinc/72/09/82/819720982.db2.gz XSATTYIIGMUVEC-UHFFFAOYSA-N 2 2 278.399 3.281 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237386785 819739475 /nfs/dbraw/zinc/73/94/75/819739475.db2.gz AHIHMQHDKDFOMN-XJKSGUPXSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237386785 819739482 /nfs/dbraw/zinc/73/94/82/819739482.db2.gz AHIHMQHDKDFOMN-XJKSGUPXSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237416397 819749439 /nfs/dbraw/zinc/74/94/39/819749439.db2.gz PVXMNLVWGVSVJU-HIFRSBDPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237416397 819749442 /nfs/dbraw/zinc/74/94/42/819749442.db2.gz PVXMNLVWGVSVJU-HIFRSBDPSA-N 2 2 278.827 3.222 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001237460036 819756151 /nfs/dbraw/zinc/75/61/51/819756151.db2.gz FVCUKQUMOZRRGB-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001237460036 819756158 /nfs/dbraw/zinc/75/61/58/819756158.db2.gz FVCUKQUMOZRRGB-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001237460036 819756165 /nfs/dbraw/zinc/75/61/65/819756165.db2.gz FVCUKQUMOZRRGB-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001237460036 819756169 /nfs/dbraw/zinc/75/61/69/819756169.db2.gz FVCUKQUMOZRRGB-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001237702211 819812340 /nfs/dbraw/zinc/81/23/40/819812340.db2.gz PNKRVDCBTJQDBC-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001237702211 819812348 /nfs/dbraw/zinc/81/23/48/819812348.db2.gz PNKRVDCBTJQDBC-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001237702211 819812356 /nfs/dbraw/zinc/81/23/56/819812356.db2.gz PNKRVDCBTJQDBC-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001237702211 819812363 /nfs/dbraw/zinc/81/23/63/819812363.db2.gz PNKRVDCBTJQDBC-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(Cl)c(C)c3)C[C@@H]2C1 ZINC001238094077 819930970 /nfs/dbraw/zinc/93/09/70/819930970.db2.gz VIHWVDLEMOERBK-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(Cl)c(C)c3)C[C@@H]2C1 ZINC001238094077 819930975 /nfs/dbraw/zinc/93/09/75/819930975.db2.gz VIHWVDLEMOERBK-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(Cl)c(C)c3)C[C@@H]2C1 ZINC001238094077 819930980 /nfs/dbraw/zinc/93/09/80/819930980.db2.gz VIHWVDLEMOERBK-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(Cl)c(C)c3)C[C@@H]2C1 ZINC001238094077 819930984 /nfs/dbraw/zinc/93/09/84/819930984.db2.gz VIHWVDLEMOERBK-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP C[N@H+](Cc1nc2ccccc2o1)Cc1cccc2c[nH+]cn21 ZINC001238120489 819937653 /nfs/dbraw/zinc/93/76/53/819937653.db2.gz WBGSEJJXEONGCJ-UHFFFAOYSA-N 2 2 292.342 3.108 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2o1)Cc1cccc2c[nH+]cn21 ZINC001238120489 819937657 /nfs/dbraw/zinc/93/76/57/819937657.db2.gz WBGSEJJXEONGCJ-UHFFFAOYSA-N 2 2 292.342 3.108 20 0 CGADLP Cc1c(-c2ccccc2C[NH+](C)C)ccc2[nH+]ccn21 ZINC001239685542 820521105 /nfs/dbraw/zinc/52/11/05/820521105.db2.gz QUWRCXWNRGUNJL-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240922669 821417415 /nfs/dbraw/zinc/41/74/15/821417415.db2.gz OWSKWIGFZPJVRT-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240922669 821417418 /nfs/dbraw/zinc/41/74/18/821417418.db2.gz OWSKWIGFZPJVRT-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccc(-n3cc[nH+]c3N)cc2)cc(C)[nH+]1 ZINC001241993638 822261784 /nfs/dbraw/zinc/26/17/84/822261784.db2.gz AYHRRMCBPGSRHQ-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP Cc1ncoc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC001338249812 936312759 /nfs/dbraw/zinc/31/27/59/936312759.db2.gz GZEHHYWQBZRWOF-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC001341783584 936451480 /nfs/dbraw/zinc/45/14/80/936451480.db2.gz IMCDXJBKHNJZSQ-UHFFFAOYSA-N 2 2 271.408 3.226 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC001341783584 936451482 /nfs/dbraw/zinc/45/14/82/936451482.db2.gz IMCDXJBKHNJZSQ-UHFFFAOYSA-N 2 2 271.408 3.226 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC001350553291 936994814 /nfs/dbraw/zinc/99/48/14/936994814.db2.gz OPNQFFRAGJJWOI-IAGOWNOFSA-N 2 2 274.452 3.390 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(CC)CC ZINC001351320110 937014780 /nfs/dbraw/zinc/01/47/80/937014780.db2.gz KXPZMTCAZJVBCH-GJZGRUSLSA-N 2 2 279.428 3.100 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399015844 926754399 /nfs/dbraw/zinc/75/43/99/926754399.db2.gz FVZVMIGEIZQGKK-QWQRMKEZSA-N 2 2 272.436 3.357 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)c2)c1 ZINC000335267479 926956150 /nfs/dbraw/zinc/95/61/50/926956150.db2.gz IBVDCADKWJBNEG-LJQANCHMSA-N 2 2 293.414 3.077 20 0 CGADLP c1cncc(-c2cccc(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)c2)c1 ZINC000335267479 926956161 /nfs/dbraw/zinc/95/61/61/926956161.db2.gz IBVDCADKWJBNEG-LJQANCHMSA-N 2 2 293.414 3.077 20 0 CGADLP Fc1ccc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)c(F)c1 ZINC001355236662 937131687 /nfs/dbraw/zinc/13/16/87/937131687.db2.gz AMMDIHKMSOPPJZ-UHFFFAOYSA-N 2 2 291.345 3.087 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@H](C)C1 ZINC001319382033 928463894 /nfs/dbraw/zinc/46/38/94/928463894.db2.gz CQXZTVXZUWBAHP-RISCZKNCSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@H](C)C1 ZINC001319382033 928463901 /nfs/dbraw/zinc/46/39/01/928463901.db2.gz CQXZTVXZUWBAHP-RISCZKNCSA-N 2 2 284.806 3.299 20 0 CGADLP Cc1cc(NCC2(C)CC[NH+](C)CC2)nc(C2CCC2)[nH+]1 ZINC001458275548 937457277 /nfs/dbraw/zinc/45/72/77/937457277.db2.gz IOKMWZWGPPSGDR-UHFFFAOYSA-N 2 2 288.439 3.196 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001460999043 937558266 /nfs/dbraw/zinc/55/82/66/937558266.db2.gz BAZXQMCCIIEAQR-UHFFFAOYSA-N 2 2 298.377 3.170 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCC(C)CC1 ZINC001461119733 937564779 /nfs/dbraw/zinc/56/47/79/937564779.db2.gz HZMKVOSVWOVMMG-NCOADZHNSA-N 2 2 264.457 3.275 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3Cc4ccccc43)c2)c[nH+]1 ZINC001461171981 937567442 /nfs/dbraw/zinc/56/74/42/937567442.db2.gz HCZUGGDZNNTYLU-AWEZNQCLSA-N 2 2 295.411 3.363 20 0 CGADLP CSc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001461432796 937581459 /nfs/dbraw/zinc/58/14/59/937581459.db2.gz GIEUMSQEGFWNKF-UHFFFAOYSA-N 2 2 287.432 3.159 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001461360165 937577482 /nfs/dbraw/zinc/57/74/82/937577482.db2.gz AEALMMUQASBXRQ-CQSZACIVSA-N 2 2 296.405 3.422 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001461360165 937577485 /nfs/dbraw/zinc/57/74/85/937577485.db2.gz AEALMMUQASBXRQ-CQSZACIVSA-N 2 2 296.405 3.422 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001461626044 937589123 /nfs/dbraw/zinc/58/91/23/937589123.db2.gz DPLFSQQVKFSXTF-BZUAXINKSA-N 2 2 284.513 3.371 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC001462457013 937643232 /nfs/dbraw/zinc/64/32/32/937643232.db2.gz DGDYEYJJUSMCQA-ZBFHGGJFSA-N 2 2 286.419 3.438 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC001462457013 937643233 /nfs/dbraw/zinc/64/32/33/937643233.db2.gz DGDYEYJJUSMCQA-ZBFHGGJFSA-N 2 2 286.419 3.438 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307924367 933022734 /nfs/dbraw/zinc/02/27/34/933022734.db2.gz QAYFVHAKDYQCAR-QLFBSQMISA-N 2 2 254.462 3.379 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307924367 933022736 /nfs/dbraw/zinc/02/27/36/933022736.db2.gz QAYFVHAKDYQCAR-QLFBSQMISA-N 2 2 254.462 3.379 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC001308243895 933080446 /nfs/dbraw/zinc/08/04/46/933080446.db2.gz GCEHKLCKFUZJKT-HZPDHXFCSA-N 2 2 291.439 3.067 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001462648235 937656721 /nfs/dbraw/zinc/65/67/21/937656721.db2.gz QRUYCOOZNYYBOE-SQNIBIBYSA-N 2 2 274.452 3.356 20 0 CGADLP CC1(C)CC[N@H+](Cc2ccc(C(F)F)nc2)CC(C)(C)[NH2+]1 ZINC001462671259 937658529 /nfs/dbraw/zinc/65/85/29/937658529.db2.gz XADGZTCZYRJBKX-UHFFFAOYSA-N 2 2 297.393 3.372 20 0 CGADLP CC1(C)CC[N@@H+](Cc2ccc(C(F)F)nc2)CC(C)(C)[NH2+]1 ZINC001462671259 937658530 /nfs/dbraw/zinc/65/85/30/937658530.db2.gz XADGZTCZYRJBKX-UHFFFAOYSA-N 2 2 297.393 3.372 20 0 CGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c(C)cc[nH+]c1N ZINC001462679485 937659203 /nfs/dbraw/zinc/65/92/03/937659203.db2.gz ANWJBTDPLJJMQP-UHFFFAOYSA-N 2 2 295.390 3.262 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001308484178 933118979 /nfs/dbraw/zinc/11/89/79/933118979.db2.gz MRKKTYVCAAKIEL-VNQPRFMTSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001308484178 933118981 /nfs/dbraw/zinc/11/89/81/933118981.db2.gz MRKKTYVCAAKIEL-VNQPRFMTSA-N 2 2 264.457 3.418 20 0 CGADLP C1[C@@H]2CCCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308840904 933187687 /nfs/dbraw/zinc/18/76/87/933187687.db2.gz PANCQWGCCVRNQO-WOYTXXSLSA-N 2 2 262.441 3.172 20 0 CGADLP C1[C@@H]2CCCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308840904 933187690 /nfs/dbraw/zinc/18/76/90/933187690.db2.gz PANCQWGCCVRNQO-WOYTXXSLSA-N 2 2 262.441 3.172 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC001340969505 933313452 /nfs/dbraw/zinc/31/34/52/933313452.db2.gz RPUDVEKBZMMWJZ-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC001340969505 933313465 /nfs/dbraw/zinc/31/34/65/933313465.db2.gz RPUDVEKBZMMWJZ-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001319065661 933817813 /nfs/dbraw/zinc/81/78/13/933817813.db2.gz KGEDGMGELJHAPQ-OCCSQVGLSA-N 2 2 298.390 3.341 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC001319086444 933823199 /nfs/dbraw/zinc/82/31/99/933823199.db2.gz OTSBSJFRHXILHJ-UHFFFAOYSA-N 2 2 290.451 3.262 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC001319498707 933884547 /nfs/dbraw/zinc/88/45/47/933884547.db2.gz AVIJDGHRWZZYHM-LQELWAHVSA-N 2 2 296.374 3.261 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473383032 937804256 /nfs/dbraw/zinc/80/42/56/937804256.db2.gz CADGPLSBYFPJKS-QXSJWSMHSA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473383032 937804258 /nfs/dbraw/zinc/80/42/58/937804258.db2.gz CADGPLSBYFPJKS-QXSJWSMHSA-N 2 2 252.446 3.133 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC(C)(C)C1CC1 ZINC001324964693 934878129 /nfs/dbraw/zinc/87/81/29/934878129.db2.gz KFYHGVWNGANGJZ-UHFFFAOYSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC001326158329 934954393 /nfs/dbraw/zinc/95/43/93/934954393.db2.gz ATYPCISRBNPRJY-GXTWGEPZSA-N 2 2 298.390 3.341 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1N1CCCC1)c1ccccc1 ZINC001327417189 935057737 /nfs/dbraw/zinc/05/77/37/935057737.db2.gz ZWPNSUGDXVAXHJ-GOSISDBHSA-N 2 2 295.430 3.076 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1N1CCCC1)c1ccccc1 ZINC001327417190 935057945 /nfs/dbraw/zinc/05/79/45/935057945.db2.gz ZWPNSUGDXVAXHJ-SFHVURJKSA-N 2 2 295.430 3.076 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCCC(F)(F)F ZINC001333657305 935557130 /nfs/dbraw/zinc/55/71/30/935557130.db2.gz BMLWKYRSGOOZNL-NSHDSACASA-N 2 2 277.334 3.230 20 0 CGADLP c1ccc(NC2CC[NH+](CC3CCSCC3)CC2)[nH+]c1 ZINC001333810058 936067810 /nfs/dbraw/zinc/06/78/10/936067810.db2.gz PNXQPDJELRAYPW-UHFFFAOYSA-N 2 2 291.464 3.101 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001474671526 937874183 /nfs/dbraw/zinc/87/41/83/937874183.db2.gz XTUHRWICOGYBSH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001474671526 937874184 /nfs/dbraw/zinc/87/41/84/937874184.db2.gz XTUHRWICOGYBSH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001474671526 937874185 /nfs/dbraw/zinc/87/41/85/937874185.db2.gz XTUHRWICOGYBSH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001474671526 937874186 /nfs/dbraw/zinc/87/41/86/937874186.db2.gz XTUHRWICOGYBSH-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP COc1cccc2c(NCCn3cc[nH+]c3C)cc(C)[nH+]c12 ZINC001515957108 938007947 /nfs/dbraw/zinc/00/79/47/938007947.db2.gz SRKJMPHERSQPRW-UHFFFAOYSA-N 2 2 296.374 3.169 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1F ZINC001548847744 938152404 /nfs/dbraw/zinc/15/24/04/938152404.db2.gz VYGYQSNNUVIMNB-AWEZNQCLSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1F ZINC001548847744 938152405 /nfs/dbraw/zinc/15/24/05/938152405.db2.gz VYGYQSNNUVIMNB-AWEZNQCLSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC001550057711 938162421 /nfs/dbraw/zinc/16/24/21/938162421.db2.gz BGOQHFIIONDQKU-HNNXBMFYSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC001550057711 938162422 /nfs/dbraw/zinc/16/24/22/938162422.db2.gz BGOQHFIIONDQKU-HNNXBMFYSA-N 2 2 287.382 3.247 20 0 CGADLP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001550349407 938166123 /nfs/dbraw/zinc/16/61/23/938166123.db2.gz QPKODEBDLKEYCO-ZFWWWQNUSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001550349407 938166124 /nfs/dbraw/zinc/16/61/24/938166124.db2.gz QPKODEBDLKEYCO-ZFWWWQNUSA-N 2 2 276.399 3.146 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001551377429 938180390 /nfs/dbraw/zinc/18/03/90/938180390.db2.gz HXZOISHBHVLUQL-RYQLBKOJSA-N 2 2 298.817 3.022 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233131 938248373 /nfs/dbraw/zinc/24/83/73/938248373.db2.gz RWZBVJZWGKZDAC-GDBMZVCRSA-N 2 2 275.440 3.426 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001560247391 938249109 /nfs/dbraw/zinc/24/91/09/938249109.db2.gz ASNAICJEZIEJHT-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001560806137 938276680 /nfs/dbraw/zinc/27/66/80/938276680.db2.gz QDLWLODTBCDBIJ-JYJNAYRXSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001560806137 938276681 /nfs/dbraw/zinc/27/66/81/938276681.db2.gz QDLWLODTBCDBIJ-JYJNAYRXSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929971 938284644 /nfs/dbraw/zinc/28/46/44/938284644.db2.gz NMRIYMACUNNFMF-HOTGVXAUSA-N 2 2 254.462 3.379 20 0 CGADLP CC1(c2ccccc2)CC([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001561043112 938291278 /nfs/dbraw/zinc/29/12/78/938291278.db2.gz QAZNKVWBUJXOIT-UHFFFAOYSA-N 2 2 286.463 3.428 20 0 CGADLP CC1(c2ccccc2)CC([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001561043112 938291279 /nfs/dbraw/zinc/29/12/79/938291279.db2.gz QAZNKVWBUJXOIT-UHFFFAOYSA-N 2 2 286.463 3.428 20 0 CGADLP CC(C)OCCC[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC001575779935 962406015 /nfs/dbraw/zinc/40/60/15/962406015.db2.gz DMRJIJZIEYAOCR-SFHVURJKSA-N 2 2 286.419 3.244 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC001576004581 962430273 /nfs/dbraw/zinc/43/02/73/962430273.db2.gz FTPSAXHIWCMLPT-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC001576004581 962430291 /nfs/dbraw/zinc/43/02/91/962430291.db2.gz FTPSAXHIWCMLPT-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP CCCOc1ccc(C(C)(C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC001577582976 962554995 /nfs/dbraw/zinc/55/49/95/962554995.db2.gz ISGDAYYVMUAMDW-UHFFFAOYSA-N 2 2 288.435 3.052 20 0 CGADLP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001578676614 962598010 /nfs/dbraw/zinc/59/80/10/962598010.db2.gz HMCDTQAEBXCFSQ-AWEZNQCLSA-N 2 2 296.842 3.313 20 0 CGADLP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1Cl ZINC001578676614 962598027 /nfs/dbraw/zinc/59/80/27/962598027.db2.gz HMCDTQAEBXCFSQ-AWEZNQCLSA-N 2 2 296.842 3.313 20 0 CGADLP COCc1ccccc1/C=C(\C)C[N@H+](C)C1(C[NH3+])CCC1 ZINC001579093725 962610049 /nfs/dbraw/zinc/61/00/49/962610049.db2.gz JGJLEAWZHSHFJR-RVDMUPIBSA-N 2 2 288.435 3.050 20 0 CGADLP COCc1ccccc1/C=C(\C)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC001579093725 962610061 /nfs/dbraw/zinc/61/00/61/962610061.db2.gz JGJLEAWZHSHFJR-RVDMUPIBSA-N 2 2 288.435 3.050 20 0 CGADLP Cc1[nH+]cn(-c2ccc(NC[C@]3(C)CCC[NH2+]C3)cc2)c1C ZINC001579884219 962678878 /nfs/dbraw/zinc/67/88/78/962678878.db2.gz WHKWVOZJJUGMOG-GOSISDBHSA-N 2 2 298.434 3.291 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294952567 199267857 /nfs/dbraw/zinc/26/78/57/199267857.db2.gz CEMAHDGWNSZLGL-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294952567 199267858 /nfs/dbraw/zinc/26/78/58/199267858.db2.gz CEMAHDGWNSZLGL-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337418366 214070075 /nfs/dbraw/zinc/07/00/75/214070075.db2.gz DVDWMCHFNIXTSG-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337418366 214070077 /nfs/dbraw/zinc/07/00/77/214070077.db2.gz DVDWMCHFNIXTSG-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2s1 ZINC000124741027 187151169 /nfs/dbraw/zinc/15/11/69/187151169.db2.gz SYNCKOVJFHKQJF-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2s1 ZINC000124741027 187151170 /nfs/dbraw/zinc/15/11/70/187151170.db2.gz SYNCKOVJFHKQJF-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1nc2ccccc2s1 ZINC000124741027 187151171 /nfs/dbraw/zinc/15/11/71/187151171.db2.gz SYNCKOVJFHKQJF-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1nc2ccccc2s1 ZINC000124741027 187151172 /nfs/dbraw/zinc/15/11/72/187151172.db2.gz SYNCKOVJFHKQJF-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP CCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337617523 214182248 /nfs/dbraw/zinc/18/22/48/214182248.db2.gz BVDZSCVWJUFKFI-AWEZNQCLSA-N 2 2 257.381 3.493 20 0 CGADLP CCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337617523 214182249 /nfs/dbraw/zinc/18/22/49/214182249.db2.gz BVDZSCVWJUFKFI-AWEZNQCLSA-N 2 2 257.381 3.493 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000621727990 349569184 /nfs/dbraw/zinc/56/91/84/349569184.db2.gz YRZHPXTVKNFNGK-CYBMUJFWSA-N 2 2 289.448 3.424 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000621727990 349569188 /nfs/dbraw/zinc/56/91/88/349569188.db2.gz YRZHPXTVKNFNGK-CYBMUJFWSA-N 2 2 289.448 3.424 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782068 349585073 /nfs/dbraw/zinc/58/50/73/349585073.db2.gz MEFRIYXIHDGGOY-PBHICJAKSA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782068 349585079 /nfs/dbraw/zinc/58/50/79/349585079.db2.gz MEFRIYXIHDGGOY-PBHICJAKSA-N 2 2 299.443 3.123 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782924 349586486 /nfs/dbraw/zinc/58/64/86/349586486.db2.gz UZDXZVFWXDQVHY-OSAQELSMSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782924 349586488 /nfs/dbraw/zinc/58/64/88/349586488.db2.gz UZDXZVFWXDQVHY-OSAQELSMSA-N 2 2 264.800 3.214 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708993 398272907 /nfs/dbraw/zinc/27/29/07/398272907.db2.gz IALANPOBEXBWMF-BXUZGUMPSA-N 2 2 296.817 3.398 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708993 398272910 /nfs/dbraw/zinc/27/29/10/398272910.db2.gz IALANPOBEXBWMF-BXUZGUMPSA-N 2 2 296.817 3.398 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000350747962 219056097 /nfs/dbraw/zinc/05/60/97/219056097.db2.gz OZBSHKRFVXYPNW-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000350747962 219056099 /nfs/dbraw/zinc/05/60/99/219056099.db2.gz OZBSHKRFVXYPNW-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350747962 219056101 /nfs/dbraw/zinc/05/61/01/219056101.db2.gz OZBSHKRFVXYPNW-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000350747962 219056105 /nfs/dbraw/zinc/05/61/05/219056105.db2.gz OZBSHKRFVXYPNW-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C[N@@H+]1C1CC1 ZINC000337991051 214348349 /nfs/dbraw/zinc/34/83/49/214348349.db2.gz VWDBXIBRCZORKA-NYTXWWLZSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C[N@H+]1C1CC1 ZINC000337991051 214348350 /nfs/dbraw/zinc/34/83/50/214348350.db2.gz VWDBXIBRCZORKA-NYTXWWLZSA-N 2 2 268.420 3.120 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1nccs1)C1CCCCC1 ZINC000651909299 398304616 /nfs/dbraw/zinc/30/46/16/398304616.db2.gz FIQDUHFPRQMOAJ-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1nccs1)C1CCCCC1 ZINC000651909299 398304619 /nfs/dbraw/zinc/30/46/19/398304619.db2.gz FIQDUHFPRQMOAJ-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949404 398311403 /nfs/dbraw/zinc/31/14/03/398311403.db2.gz KJCPQRZNTRCNCP-OAHLLOKOSA-N 2 2 292.398 3.112 20 0 CGADLP CCc1cccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000652032965 398317854 /nfs/dbraw/zinc/31/78/54/398317854.db2.gz QHESKZMUUFIBFL-UHFFFAOYSA-N 2 2 279.387 3.495 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423296426 282954617 /nfs/dbraw/zinc/95/46/17/282954617.db2.gz GSQLQYJGQBYZAE-CZUORRHYSA-N 2 2 292.423 3.016 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652209187 398327312 /nfs/dbraw/zinc/32/73/12/398327312.db2.gz CAQPBZBSWXRKOR-QGZVFWFLSA-N 2 2 287.451 3.387 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423458736 529453905 /nfs/dbraw/zinc/45/39/05/529453905.db2.gz HDOUJVBRBUWLIG-FUHWJXTLSA-N 2 2 284.403 3.112 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229374 529501415 /nfs/dbraw/zinc/50/14/15/529501415.db2.gz BAKRCNGOFIZOMH-STQMWFEESA-N 2 2 272.392 3.398 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1Br ZINC000423484252 529568077 /nfs/dbraw/zinc/56/80/77/529568077.db2.gz YMLBWHXPXUZXSZ-MFKMUULPSA-N 2 2 285.229 3.227 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)C1CCSCC1 ZINC000423505604 529611900 /nfs/dbraw/zinc/61/19/00/529611900.db2.gz OOPKTUHFACCYOQ-DYVFJYSZSA-N 2 2 292.492 3.370 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)s1 ZINC000414129727 529607533 /nfs/dbraw/zinc/60/75/33/529607533.db2.gz VVLWSLYFGMRZAR-NSHDSACASA-N 2 2 283.828 3.418 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089497 349758590 /nfs/dbraw/zinc/75/85/90/349758590.db2.gz KAQOQAGYXNOVLU-ZFWWWQNUSA-N 2 2 288.426 3.379 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423235231 529614440 /nfs/dbraw/zinc/61/44/40/529614440.db2.gz NABKERVEEGXZOQ-GWCFXTLKSA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1OC(F)F ZINC000358400028 529672910 /nfs/dbraw/zinc/67/29/10/529672910.db2.gz KKDUFDOHWHDCSY-XBFCOCLRSA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1OC(F)F ZINC000358400028 529672912 /nfs/dbraw/zinc/67/29/12/529672912.db2.gz KKDUFDOHWHDCSY-XBFCOCLRSA-N 2 2 298.377 3.279 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000358515677 529677833 /nfs/dbraw/zinc/67/78/33/529677833.db2.gz NCTFZDTVLWWVRD-CQSZACIVSA-N 2 2 294.402 3.451 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394403 349797617 /nfs/dbraw/zinc/79/76/17/349797617.db2.gz DEUXKZQKIUIDQV-OAHLLOKOSA-N 2 2 299.418 3.304 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)CC1(C)C ZINC000623394403 349797619 /nfs/dbraw/zinc/79/76/19/349797619.db2.gz DEUXKZQKIUIDQV-OAHLLOKOSA-N 2 2 299.418 3.304 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623414478 349802985 /nfs/dbraw/zinc/80/29/85/349802985.db2.gz FNSRVYTYJNZGNF-RYUDHWBXSA-N 2 2 281.469 3.229 20 0 CGADLP CCc1nc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623414478 349802987 /nfs/dbraw/zinc/80/29/87/349802987.db2.gz FNSRVYTYJNZGNF-RYUDHWBXSA-N 2 2 281.469 3.229 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000591869423 346944117 /nfs/dbraw/zinc/94/41/17/346944117.db2.gz VLLWNMGXMXEZQN-OAHLLOKOSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000591869423 346944119 /nfs/dbraw/zinc/94/41/19/346944119.db2.gz VLLWNMGXMXEZQN-OAHLLOKOSA-N 2 2 275.421 3.399 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@H]2SC)[NH+](C)C)cc1 ZINC000425349219 529723692 /nfs/dbraw/zinc/72/36/92/529723692.db2.gz FEWHPBKKACWSSO-YESZJQIVSA-N 2 2 292.492 3.335 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177179575 529723912 /nfs/dbraw/zinc/72/39/12/529723912.db2.gz PMTFMCIYZGXKFC-DYVFJYSZSA-N 2 2 260.425 3.240 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128094477 187350990 /nfs/dbraw/zinc/35/09/90/187350990.db2.gz IBPOPAPYNSNIBF-CGTJXYLNSA-N 2 2 290.451 3.084 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCCc3scnc32)CC(C)(C)[NH2+]1 ZINC000623853396 349896512 /nfs/dbraw/zinc/89/65/12/349896512.db2.gz XHWIRANOQPDOBG-GFCCVEGCSA-N 2 2 293.480 3.419 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623878313 349903045 /nfs/dbraw/zinc/90/30/45/349903045.db2.gz DWEJJNBNGVJDQO-CQSZACIVSA-N 2 2 293.480 3.375 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623888790 349906370 /nfs/dbraw/zinc/90/63/70/349906370.db2.gz UUHOIYJYFHKSIR-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623888790 349906375 /nfs/dbraw/zinc/90/63/75/349906375.db2.gz UUHOIYJYFHKSIR-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000040671745 344964993 /nfs/dbraw/zinc/96/49/93/344964993.db2.gz QSACNJJJTYKYMK-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000040671745 344964995 /nfs/dbraw/zinc/96/49/95/344964995.db2.gz QSACNJJJTYKYMK-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000066973464 345311342 /nfs/dbraw/zinc/31/13/42/345311342.db2.gz BUGJXKATJRQJCZ-UHFFFAOYSA-N 2 2 278.415 3.426 20 0 CGADLP CC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000067949440 345338951 /nfs/dbraw/zinc/33/89/51/345338951.db2.gz FWXRCJMWABVEMB-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859240 345418771 /nfs/dbraw/zinc/41/87/71/345418771.db2.gz SIYYAGVFXXJWFU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859240 345418773 /nfs/dbraw/zinc/41/87/73/345418773.db2.gz SIYYAGVFXXJWFU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859240 345418775 /nfs/dbraw/zinc/41/87/75/345418775.db2.gz SIYYAGVFXXJWFU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859240 345418777 /nfs/dbraw/zinc/41/87/77/345418777.db2.gz SIYYAGVFXXJWFU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H]([NH2+]Cc1cccn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072889506 345420525 /nfs/dbraw/zinc/42/05/25/345420525.db2.gz UDLKRFDYWPWMMW-CQSZACIVSA-N 2 2 280.375 3.062 20 0 CGADLP Fc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000075758076 345521573 /nfs/dbraw/zinc/52/15/73/345521573.db2.gz JUUMSDHJAMJBLH-UHFFFAOYSA-N 2 2 295.361 3.360 20 0 CGADLP c1cn(C2CC[NH+](CCOC3CCCCCC3)CC2)c[nH+]1 ZINC000077285449 345566567 /nfs/dbraw/zinc/56/65/67/345566567.db2.gz JKHXYZUAWPAQIT-UHFFFAOYSA-N 2 2 291.439 3.259 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000623970371 349932378 /nfs/dbraw/zinc/93/23/78/349932378.db2.gz MKHFCHPDFDKANV-ZDUSSCGKSA-N 2 2 281.469 3.224 20 0 CGADLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000090230533 345785916 /nfs/dbraw/zinc/78/59/16/345785916.db2.gz ZDHFHBKKFMDUPJ-UHFFFAOYSA-N 2 2 287.451 3.072 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000090846717 345795486 /nfs/dbraw/zinc/79/54/86/345795486.db2.gz XTSVVZSHMSVOSH-QGZVFWFLSA-N 2 2 252.361 3.210 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866087 345890812 /nfs/dbraw/zinc/89/08/12/345890812.db2.gz HLQAQLUACXNANQ-KROLTMCQSA-N 2 2 298.361 3.387 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866087 345890816 /nfs/dbraw/zinc/89/08/16/345890816.db2.gz HLQAQLUACXNANQ-KROLTMCQSA-N 2 2 298.361 3.387 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000168609774 346190885 /nfs/dbraw/zinc/19/08/85/346190885.db2.gz VFDCDTWVOXQZQS-ZOODHJKOSA-N 2 2 266.816 3.126 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000339210513 215017605 /nfs/dbraw/zinc/01/76/05/215017605.db2.gz RMJFAONUCAHVLL-ZDUSSCGKSA-N 2 2 277.799 3.271 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000237083882 346344156 /nfs/dbraw/zinc/34/41/56/346344156.db2.gz WOZOOJLPGGIWQW-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000237083882 346344159 /nfs/dbraw/zinc/34/41/59/346344159.db2.gz WOZOOJLPGGIWQW-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H]1c1ccccc1 ZINC000248919800 346379863 /nfs/dbraw/zinc/37/98/63/346379863.db2.gz DWKMGCNNKBNEGW-RTBURBONSA-N 2 2 298.405 3.403 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H]1c1ccccc1 ZINC000248919800 346379870 /nfs/dbraw/zinc/37/98/70/346379870.db2.gz DWKMGCNNKBNEGW-RTBURBONSA-N 2 2 298.405 3.403 20 0 CGADLP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624077918 349965629 /nfs/dbraw/zinc/96/56/29/349965629.db2.gz HVIICXREQYOYEO-HNNXBMFYSA-N 2 2 286.410 3.071 20 0 CGADLP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624077918 349965634 /nfs/dbraw/zinc/96/56/34/349965634.db2.gz HVIICXREQYOYEO-HNNXBMFYSA-N 2 2 286.410 3.071 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000624100885 349970778 /nfs/dbraw/zinc/97/07/78/349970778.db2.gz TYQVRQGXONKJJS-JJRVBVJISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000624100885 349970780 /nfs/dbraw/zinc/97/07/80/349970780.db2.gz TYQVRQGXONKJJS-JJRVBVJISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2sccc21 ZINC000624101475 349970820 /nfs/dbraw/zinc/97/08/20/349970820.db2.gz IEQQAVIJVSHYDX-SCRDCRAPSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2sccc21 ZINC000624101475 349970821 /nfs/dbraw/zinc/97/08/21/349970821.db2.gz IEQQAVIJVSHYDX-SCRDCRAPSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000389852214 346573827 /nfs/dbraw/zinc/57/38/27/346573827.db2.gz WPRLJVCPAOAIGA-FXAWDEMLSA-N 2 2 294.442 3.339 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000389852214 346573829 /nfs/dbraw/zinc/57/38/29/346573829.db2.gz WPRLJVCPAOAIGA-FXAWDEMLSA-N 2 2 294.442 3.339 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCSC2)c[nH+]1 ZINC000584866119 346719097 /nfs/dbraw/zinc/71/90/97/346719097.db2.gz OVIAYOXKSNLYOW-HNNXBMFYSA-N 2 2 264.438 3.055 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594790299 347216369 /nfs/dbraw/zinc/21/63/69/347216369.db2.gz XKVJEDXXLHZNPB-HAZIXKIPSA-N 2 2 270.420 3.164 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594790299 347216373 /nfs/dbraw/zinc/21/63/73/347216373.db2.gz XKVJEDXXLHZNPB-HAZIXKIPSA-N 2 2 270.420 3.164 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CSCCF ZINC000595043249 347267365 /nfs/dbraw/zinc/26/73/65/347267365.db2.gz VOAVHOZMLBWBAR-CABCVRRESA-N 2 2 290.492 3.178 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2cccc(O)c2Cl)CCCC1 ZINC000339348744 215112177 /nfs/dbraw/zinc/11/21/77/215112177.db2.gz KWPQZDSZPAZJBP-UHFFFAOYSA-N 2 2 296.842 3.257 20 0 CGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cn[nH]c2)CCCC1)c1ccccc1 ZINC000606912613 348207454 /nfs/dbraw/zinc/20/74/54/348207454.db2.gz CRKIEUGYFVLUOC-OAHLLOKOSA-N 2 2 298.434 3.163 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429681 215160981 /nfs/dbraw/zinc/16/09/81/215160981.db2.gz ZANPCLMZMXKIGM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429681 215160983 /nfs/dbraw/zinc/16/09/83/215160983.db2.gz ZANPCLMZMXKIGM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429681 215160985 /nfs/dbraw/zinc/16/09/85/215160985.db2.gz ZANPCLMZMXKIGM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429681 215160986 /nfs/dbraw/zinc/16/09/86/215160986.db2.gz ZANPCLMZMXKIGM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000607729199 348259089 /nfs/dbraw/zinc/25/90/89/348259089.db2.gz DBZAPRNTMAQLOW-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000607729199 348259091 /nfs/dbraw/zinc/25/90/91/348259091.db2.gz DBZAPRNTMAQLOW-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433790 215166604 /nfs/dbraw/zinc/16/66/04/215166604.db2.gz FNRRHTWUWLRZOZ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433790 215166605 /nfs/dbraw/zinc/16/66/05/215166605.db2.gz FNRRHTWUWLRZOZ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433790 215166607 /nfs/dbraw/zinc/16/66/07/215166607.db2.gz FNRRHTWUWLRZOZ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433790 215166609 /nfs/dbraw/zinc/16/66/09/215166609.db2.gz FNRRHTWUWLRZOZ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249065 233089623 /nfs/dbraw/zinc/08/96/23/233089623.db2.gz JEDDEERUNLPMPE-VKJFTORMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249065 233089626 /nfs/dbraw/zinc/08/96/26/233089626.db2.gz JEDDEERUNLPMPE-VKJFTORMSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2F)n1-c1ccccc1 ZINC000339588494 215259321 /nfs/dbraw/zinc/25/93/21/215259321.db2.gz ZLOZZZATHOEYMV-HZPDHXFCSA-N 2 2 273.355 3.161 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)[nH+]c1 ZINC000624313393 350024709 /nfs/dbraw/zinc/02/47/09/350024709.db2.gz LTWGCDOEUDJHAI-OAHLLOKOSA-N 2 2 285.435 3.220 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@@H+]1C ZINC000624344936 350030438 /nfs/dbraw/zinc/03/04/38/350030438.db2.gz URIADLZJOWMSMP-STQMWFEESA-N 2 2 294.389 3.416 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000624344936 350030442 /nfs/dbraw/zinc/03/04/42/350030442.db2.gz URIADLZJOWMSMP-STQMWFEESA-N 2 2 294.389 3.416 20 0 CGADLP CSC1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000290870554 197844999 /nfs/dbraw/zinc/84/49/99/197844999.db2.gz LHQUSRWFTSRJSF-UHFFFAOYSA-N 2 2 287.432 3.248 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000271219812 191009260 /nfs/dbraw/zinc/00/92/60/191009260.db2.gz ZWDRJGZGPOQUQA-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1F ZINC000625658418 350193719 /nfs/dbraw/zinc/19/37/19/350193719.db2.gz YYISUDZIGHMBEF-AWEZNQCLSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628201991 350438367 /nfs/dbraw/zinc/43/83/67/350438367.db2.gz CWFVHMAHTZFKHA-LBPRGKRZSA-N 2 2 297.324 3.123 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000628207707 350439676 /nfs/dbraw/zinc/43/96/76/350439676.db2.gz HZOFDYHBYFYCNH-MRXNPFEDSA-N 2 2 271.408 3.365 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000628214085 350443238 /nfs/dbraw/zinc/44/32/38/350443238.db2.gz JWVAVELLCDDGQQ-GJZGRUSLSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000628214085 350443241 /nfs/dbraw/zinc/44/32/41/350443241.db2.gz JWVAVELLCDDGQQ-GJZGRUSLSA-N 2 2 260.425 3.171 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000629526375 350702230 /nfs/dbraw/zinc/70/22/30/350702230.db2.gz RVVPIUIBTVERQI-KWCYVHTRSA-N 2 2 294.464 3.208 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1F ZINC000629527256 350703060 /nfs/dbraw/zinc/70/30/60/350703060.db2.gz PRQQSXORQOFGTR-SOUVJXGZSA-N 2 2 250.361 3.007 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000629527034 350703097 /nfs/dbraw/zinc/70/30/97/350703097.db2.gz IGRNIBYNBZKOGQ-BBWFWOEESA-N 2 2 258.409 3.176 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000629538329 350705798 /nfs/dbraw/zinc/70/57/98/350705798.db2.gz LBOPAIUBYQMPHN-DYEKYZERSA-N 2 2 278.465 3.418 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537758 350705898 /nfs/dbraw/zinc/70/58/98/350705898.db2.gz MELOAUMMFONWIK-KYOSRNDESA-N 2 2 298.377 3.469 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)oc21 ZINC000629538516 350705975 /nfs/dbraw/zinc/70/59/75/350705975.db2.gz MNFOYMBFPWPVOV-MBNYWOFBSA-N 2 2 288.391 3.233 20 0 CGADLP COCCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629542312 350707893 /nfs/dbraw/zinc/70/78/93/350707893.db2.gz DNKLUWDZYYBAGD-XYPHTWIQSA-N 2 2 294.414 3.024 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C[NH2+]1 ZINC000629542756 350708353 /nfs/dbraw/zinc/70/83/53/350708353.db2.gz LCFMKQHGNPZGOF-KYOSRNDESA-N 2 2 294.826 3.284 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542763 350708711 /nfs/dbraw/zinc/70/87/11/350708711.db2.gz LCSJXZJKTBOLNS-KBMXLJTQSA-N 2 2 264.413 3.487 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000629547072 350709978 /nfs/dbraw/zinc/70/99/78/350709978.db2.gz FVMDCFXLADRLRJ-LNSITVRQSA-N 2 2 264.438 3.319 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629548586 350710382 /nfs/dbraw/zinc/71/03/82/350710382.db2.gz QMYKEBBYKCAQFJ-GBIKHYSHSA-N 2 2 272.314 3.106 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[C@H](C)[NH2+]C3)ccc2c1 ZINC000629394360 350687576 /nfs/dbraw/zinc/68/75/76/350687576.db2.gz HMYGJLOSJMBZLM-GUYCJALGSA-N 2 2 284.403 3.079 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397272 350688554 /nfs/dbraw/zinc/68/85/54/350688554.db2.gz YBQKXZZDBUVQIF-OLZOCXBDSA-N 2 2 272.392 3.225 20 0 CGADLP C[C@H]([NH3+])c1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000629708892 350747837 /nfs/dbraw/zinc/74/78/37/350747837.db2.gz DLPFDSZCYBZZQU-ZDUSSCGKSA-N 2 2 267.376 3.369 20 0 CGADLP COC1(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CCCC1 ZINC000629647610 350729604 /nfs/dbraw/zinc/72/96/04/350729604.db2.gz BJQYTLKIVSKJEQ-QGZVFWFLSA-N 2 2 290.451 3.359 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C[NH2+]1 ZINC000629659550 350732026 /nfs/dbraw/zinc/73/20/26/350732026.db2.gz BUOMYYPYGYFERT-DZGCQCFKSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC[NH+]1CCCC1 ZINC000631562463 351066921 /nfs/dbraw/zinc/06/69/21/351066921.db2.gz FQGVXZOVEUBJTR-OAHLLOKOSA-N 2 2 285.435 3.174 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1([NH+](C)C)CC1 ZINC000631640954 351102286 /nfs/dbraw/zinc/10/22/86/351102286.db2.gz GQHTYTMIRVCQCB-AWEZNQCLSA-N 2 2 285.435 3.173 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CCC2 ZINC000631643081 351102520 /nfs/dbraw/zinc/10/25/20/351102520.db2.gz BZDYUNBCEYNJNO-KZNAEPCWSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000631643081 351102523 /nfs/dbraw/zinc/10/25/23/351102523.db2.gz BZDYUNBCEYNJNO-KZNAEPCWSA-N 2 2 285.435 3.066 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631576938 351074073 /nfs/dbraw/zinc/07/40/73/351074073.db2.gz DTJGLNWNSLTGSR-GOEBONIOSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000631576938 351074079 /nfs/dbraw/zinc/07/40/79/351074079.db2.gz DTJGLNWNSLTGSR-GOEBONIOSA-N 2 2 297.446 3.315 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890693 351152639 /nfs/dbraw/zinc/15/26/39/351152639.db2.gz SDHAIRQEZINKRH-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890693 351152643 /nfs/dbraw/zinc/15/26/43/351152643.db2.gz SDHAIRQEZINKRH-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890700 351153294 /nfs/dbraw/zinc/15/32/94/351153294.db2.gz SICYKZVUGVNMGO-MAUKXSAKSA-N 2 2 287.451 3.087 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890700 351153297 /nfs/dbraw/zinc/15/32/97/351153297.db2.gz SICYKZVUGVNMGO-MAUKXSAKSA-N 2 2 287.451 3.087 20 0 CGADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992309 351619318 /nfs/dbraw/zinc/61/93/18/351619318.db2.gz LAAFLWFYNGHSOP-KNCVXQGMSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992309 351619323 /nfs/dbraw/zinc/61/93/23/351619323.db2.gz LAAFLWFYNGHSOP-KNCVXQGMSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H](C[NH2+]Cc1csc(-c2cccs2)n1)C[NH+](C)C ZINC000291713838 198067246 /nfs/dbraw/zinc/06/72/46/198067246.db2.gz LTMZCSJMHOXUSW-LLVKDONJSA-N 2 2 295.477 3.159 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000122804095 187052494 /nfs/dbraw/zinc/05/24/94/187052494.db2.gz WYKOUKXSLDSYGM-HNNXBMFYSA-N 2 2 284.403 3.379 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000122804095 187052495 /nfs/dbraw/zinc/05/24/95/187052495.db2.gz WYKOUKXSLDSYGM-HNNXBMFYSA-N 2 2 284.403 3.379 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000122972131 187063302 /nfs/dbraw/zinc/06/33/02/187063302.db2.gz GQEQRLSLMMHIHF-UHFFFAOYSA-N 2 2 288.391 3.015 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123001790 187065186 /nfs/dbraw/zinc/06/51/86/187065186.db2.gz VSZBTLPZPUOUFA-XUJVJEKNSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123001790 187065187 /nfs/dbraw/zinc/06/51/87/187065187.db2.gz VSZBTLPZPUOUFA-XUJVJEKNSA-N 2 2 262.372 3.102 20 0 CGADLP CC(C)c1cc(N[C@@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000271638426 191253025 /nfs/dbraw/zinc/25/30/25/191253025.db2.gz PABQAPFNVOGYFC-ZDUSSCGKSA-N 2 2 287.411 3.421 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2n1 ZINC000368001173 234269277 /nfs/dbraw/zinc/26/92/77/234269277.db2.gz XEMJBNUAMGEKOY-OCCSQVGLSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2ccccc2n1 ZINC000368001173 234269279 /nfs/dbraw/zinc/26/92/79/234269279.db2.gz XEMJBNUAMGEKOY-OCCSQVGLSA-N 2 2 292.386 3.166 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368029186 234271607 /nfs/dbraw/zinc/27/16/07/234271607.db2.gz IHOKOAGDOCNQQS-SFHVURJKSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368029186 234271612 /nfs/dbraw/zinc/27/16/12/234271612.db2.gz IHOKOAGDOCNQQS-SFHVURJKSA-N 2 2 295.430 3.282 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000295163619 199381215 /nfs/dbraw/zinc/38/12/15/199381215.db2.gz SLNMCAPLQNPHPK-UHFFFAOYSA-N 2 2 299.393 3.454 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154625526 188153912 /nfs/dbraw/zinc/15/39/12/188153912.db2.gz VJXNARQQQOVKMW-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154625526 188153913 /nfs/dbraw/zinc/15/39/13/188153913.db2.gz VJXNARQQQOVKMW-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621218 188154452 /nfs/dbraw/zinc/15/44/52/188154452.db2.gz ZVBXCAYNHJNEBA-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621218 188154453 /nfs/dbraw/zinc/15/44/53/188154453.db2.gz ZVBXCAYNHJNEBA-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155660837 188219112 /nfs/dbraw/zinc/21/91/12/188219112.db2.gz MGWOUYDHXSHHDD-NSHDSACASA-N 2 2 278.425 3.122 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155677238 188221681 /nfs/dbraw/zinc/22/16/81/188221681.db2.gz DDSZWGSRFQYEKS-LBPRGKRZSA-N 2 2 293.798 3.286 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccncc1 ZINC000156398240 188260393 /nfs/dbraw/zinc/26/03/93/188260393.db2.gz FLJUQWVRBKMGDW-CQSZACIVSA-N 2 2 294.402 3.481 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000157327345 188309561 /nfs/dbraw/zinc/30/95/61/188309561.db2.gz HMVKYIMKGIFPBR-OAHLLOKOSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000157327345 188309562 /nfs/dbraw/zinc/30/95/62/188309562.db2.gz HMVKYIMKGIFPBR-OAHLLOKOSA-N 2 2 294.389 3.415 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158216027 188364404 /nfs/dbraw/zinc/36/44/04/188364404.db2.gz BRVMSASPLFXFFQ-LESCRADOSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000271862748 191375778 /nfs/dbraw/zinc/37/57/78/191375778.db2.gz ULGKIDTVSIENSA-BLLLJJGKSA-N 2 2 273.355 3.078 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414114372 235339582 /nfs/dbraw/zinc/33/95/82/235339582.db2.gz LNUJHSGNTPNXGP-WWGRRREGSA-N 2 2 255.365 3.006 20 0 CGADLP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000414332004 235389539 /nfs/dbraw/zinc/38/95/39/235389539.db2.gz GFBJVQSZXTVBNR-KZNAEPCWSA-N 2 2 296.414 3.390 20 0 CGADLP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000414332004 235389540 /nfs/dbraw/zinc/38/95/40/235389540.db2.gz GFBJVQSZXTVBNR-KZNAEPCWSA-N 2 2 296.414 3.390 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000414348533 235393989 /nfs/dbraw/zinc/39/39/89/235393989.db2.gz JBSZFJRBSPAVJN-QGZVFWFLSA-N 2 2 298.434 3.035 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124216105 138373150 /nfs/dbraw/zinc/37/31/50/138373150.db2.gz ZKXMHKDOJIWWBY-MRXNPFEDSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126760717 138387458 /nfs/dbraw/zinc/38/74/58/138387458.db2.gz PRNNMZNPKNCCFX-KFWWJZLASA-N 2 2 299.418 3.479 20 0 CGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cscn3)CC2)C1 ZINC000127340168 138388957 /nfs/dbraw/zinc/38/89/57/138388957.db2.gz CTEANQPXKJZOSU-XJKSGUPXSA-N 2 2 293.480 3.276 20 0 CGADLP C[C@H]1CC[N@H+](CCCCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129593587 138397838 /nfs/dbraw/zinc/39/78/38/138397838.db2.gz GVQPXYHPCGNBFK-STQMWFEESA-N 2 2 289.345 3.499 20 0 CGADLP C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129593587 138397839 /nfs/dbraw/zinc/39/78/39/138397839.db2.gz GVQPXYHPCGNBFK-STQMWFEESA-N 2 2 289.345 3.499 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000482220276 535358750 /nfs/dbraw/zinc/35/87/50/535358750.db2.gz MYGFYSPKJXGVQX-QZTJIDSGSA-N 2 2 296.499 3.459 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423229402 236003658 /nfs/dbraw/zinc/00/36/58/236003658.db2.gz BDVMVKPSELPPCD-ZFWWWQNUSA-N 2 2 270.376 3.349 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423244087 236007010 /nfs/dbraw/zinc/00/70/10/236007010.db2.gz XJDFWUWOSHVKGO-ZBFHGGJFSA-N 2 2 262.397 3.161 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000423277788 236019902 /nfs/dbraw/zinc/01/99/02/236019902.db2.gz ORVOOQVFWUNGMP-HNNXBMFYSA-N 2 2 275.440 3.353 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000423281261 236020519 /nfs/dbraw/zinc/02/05/19/236020519.db2.gz UAXDHBPZLNSMQH-AWEZNQCLSA-N 2 2 261.413 3.045 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423354073 236048374 /nfs/dbraw/zinc/04/83/74/236048374.db2.gz CMVVEXUTRXXPMQ-DYEKYZERSA-N 2 2 298.377 3.245 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H](C)C[NH3+])cs2)cs1 ZINC000423361427 236050235 /nfs/dbraw/zinc/05/02/35/236050235.db2.gz GSTQGZBHSOJLDU-IUCAKERBSA-N 2 2 281.450 3.178 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c2ccccc12 ZINC000423376797 236055033 /nfs/dbraw/zinc/05/50/33/236055033.db2.gz YPPCFVDOFYLPEK-DEYYWGMASA-N 2 2 298.430 3.497 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423447022 236073018 /nfs/dbraw/zinc/07/30/18/236073018.db2.gz OODHLNQOGFSNPU-AVGNSLFASA-N 2 2 258.365 3.333 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)c2c1 ZINC000423451446 236073750 /nfs/dbraw/zinc/07/37/50/236073750.db2.gz VBTUZJPEJFDHOU-WOPDTQHZSA-N 2 2 276.380 3.136 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000537656120 288542461 /nfs/dbraw/zinc/54/24/61/288542461.db2.gz CRACDMIDFYTZKO-BZUAXINKSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423526929 236093868 /nfs/dbraw/zinc/09/38/68/236093868.db2.gz LWXIVUMVWQAPKF-AYOQOUSVSA-N 2 2 280.415 3.401 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423568542 236099192 /nfs/dbraw/zinc/09/91/92/236099192.db2.gz VNCMEDOTSLXPDB-UWVGGRQHSA-N 2 2 258.818 3.194 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC4)CC2)cc1 ZINC000424188685 236131303 /nfs/dbraw/zinc/13/13/03/236131303.db2.gz YPFGRLVSEVBKNU-MRXNPFEDSA-N 2 2 290.838 3.447 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000424197587 236132938 /nfs/dbraw/zinc/13/29/38/236132938.db2.gz CCCSOCIOPRKZKD-LSDHHAIUSA-N 2 2 269.392 3.393 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000424372271 236158664 /nfs/dbraw/zinc/15/86/64/236158664.db2.gz WHDPDPJIYTUBKO-VXGBXAGGSA-N 2 2 293.461 3.231 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](C2CCC2)C2CCCCC2)c1 ZINC000424299371 236144167 /nfs/dbraw/zinc/14/41/67/236144167.db2.gz DWXMUPDYDIARPE-QGZVFWFLSA-N 2 2 275.440 3.301 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(F)c1 ZINC000425343966 236232903 /nfs/dbraw/zinc/23/29/03/236232903.db2.gz SSSCSCJBFHUSTN-ZDUSSCGKSA-N 2 2 282.378 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(F)c1 ZINC000425343966 236232904 /nfs/dbraw/zinc/23/29/04/236232904.db2.gz SSSCSCJBFHUSTN-ZDUSSCGKSA-N 2 2 282.378 3.189 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(F)c1 ZINC000425374314 236240802 /nfs/dbraw/zinc/24/08/02/236240802.db2.gz WXRPPNNYWWZQOE-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)c1 ZINC000425374314 236240803 /nfs/dbraw/zinc/24/08/03/236240803.db2.gz WXRPPNNYWWZQOE-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(F)c1 ZINC000425374314 236240804 /nfs/dbraw/zinc/24/08/04/236240804.db2.gz WXRPPNNYWWZQOE-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(F)c1 ZINC000425374314 236240805 /nfs/dbraw/zinc/24/08/05/236240805.db2.gz WXRPPNNYWWZQOE-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000425935474 236274553 /nfs/dbraw/zinc/27/45/53/236274553.db2.gz DITHFDMKXDZHRL-IUCAKERBSA-N 2 2 295.374 3.010 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000427875935 236352118 /nfs/dbraw/zinc/35/21/18/236352118.db2.gz LLVZTYHQZPKKQC-NVXWUHKLSA-N 2 2 281.403 3.255 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1F ZINC000294823474 199199529 /nfs/dbraw/zinc/19/95/29/199199529.db2.gz MYSOHHNUFPYASI-XJKSGUPXSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1F ZINC000294823474 199199531 /nfs/dbraw/zinc/19/95/31/199199531.db2.gz MYSOHHNUFPYASI-XJKSGUPXSA-N 2 2 287.382 3.414 20 0 CGADLP CCn1cc[nH+]c1CNc1cc(C)[nH+]c2ccccc12 ZINC000294872918 199224968 /nfs/dbraw/zinc/22/49/68/199224968.db2.gz BGJXYUKFEBHVEN-UHFFFAOYSA-N 2 2 266.348 3.372 20 0 CGADLP Cc1cnccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000297065666 200075997 /nfs/dbraw/zinc/07/59/97/200075997.db2.gz ZGPUXHQNMQXAPG-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437100033 237250145 /nfs/dbraw/zinc/25/01/45/237250145.db2.gz UHHAXJJJQBTKNV-GJZGRUSLSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000297909346 200302309 /nfs/dbraw/zinc/30/23/09/200302309.db2.gz WPDZDISJXYEKSM-HOCLYGCPSA-N 2 2 298.434 3.047 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000298089986 200331432 /nfs/dbraw/zinc/33/14/32/200331432.db2.gz MOGMREPLNRTZEW-IIDMSEBBSA-N 2 2 283.419 3.229 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000298089986 200331433 /nfs/dbraw/zinc/33/14/33/200331433.db2.gz MOGMREPLNRTZEW-IIDMSEBBSA-N 2 2 283.419 3.229 20 0 CGADLP CC(c1ccccc1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304951 200390540 /nfs/dbraw/zinc/39/05/40/200390540.db2.gz HTACINZPGWBYJY-CQSZACIVSA-N 2 2 269.392 3.188 20 0 CGADLP CC(c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304951 200390542 /nfs/dbraw/zinc/39/05/42/200390542.db2.gz HTACINZPGWBYJY-CQSZACIVSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304951 200390544 /nfs/dbraw/zinc/39/05/44/200390544.db2.gz HTACINZPGWBYJY-CQSZACIVSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304951 200390546 /nfs/dbraw/zinc/39/05/46/200390546.db2.gz HTACINZPGWBYJY-CQSZACIVSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487556199 299309891 /nfs/dbraw/zinc/30/98/91/299309891.db2.gz HVHAEORGJQBNHW-DZKIICNBSA-N 2 2 278.465 3.021 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1F ZINC000179559173 189202645 /nfs/dbraw/zinc/20/26/45/189202645.db2.gz WHBMBYDFVXUEEM-GRYCIOLGSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1F ZINC000179559173 189202646 /nfs/dbraw/zinc/20/26/46/189202646.db2.gz WHBMBYDFVXUEEM-GRYCIOLGSA-N 2 2 268.351 3.098 20 0 CGADLP c1csc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCCC2)n1 ZINC000179426731 189194095 /nfs/dbraw/zinc/19/40/95/189194095.db2.gz ANBCATIPPVQVFI-UHFFFAOYSA-N 2 2 298.415 3.350 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000179667247 189211511 /nfs/dbraw/zinc/21/15/11/189211511.db2.gz VBFDXNWNIAQQFQ-OAHLLOKOSA-N 2 2 287.407 3.411 20 0 CGADLP c1cn2c(cccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000180045524 189234383 /nfs/dbraw/zinc/23/43/83/189234383.db2.gz ASCBIVKQKGLXPU-UHFFFAOYSA-N 2 2 281.403 3.393 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077366 189287968 /nfs/dbraw/zinc/28/79/68/189287968.db2.gz WLWJVLNOIINGGK-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077366 189287969 /nfs/dbraw/zinc/28/79/69/189287969.db2.gz WLWJVLNOIINGGK-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000182075047 189313144 /nfs/dbraw/zinc/31/31/44/189313144.db2.gz GMSGSPAKVINRCB-INIZCTEOSA-N 2 2 293.414 3.345 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000119644799 370695024 /nfs/dbraw/zinc/69/50/24/370695024.db2.gz WXSIJKMYNSXXKC-LLVKDONJSA-N 2 2 293.480 3.291 20 0 CGADLP Cc1ccc([C@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1 ZINC000301652789 201116378 /nfs/dbraw/zinc/11/63/78/201116378.db2.gz QVANRHJCSWGLLY-INIZCTEOSA-N 2 2 269.392 3.413 20 0 CGADLP CCC[NH+]1CCC(CNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301656591 201119891 /nfs/dbraw/zinc/11/98/91/201119891.db2.gz RZQAKCNBEFCWGK-UHFFFAOYSA-N 2 2 290.455 3.442 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183181537 189349305 /nfs/dbraw/zinc/34/93/05/189349305.db2.gz JKLGWOCLOOLXJF-QGZVFWFLSA-N 2 2 271.408 3.226 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183181537 189349306 /nfs/dbraw/zinc/34/93/06/189349306.db2.gz JKLGWOCLOOLXJF-QGZVFWFLSA-N 2 2 271.408 3.226 20 0 CGADLP CC(C)c1cc(NC[C@H](C2CC2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301829336 201222904 /nfs/dbraw/zinc/22/29/04/201222904.db2.gz QZCSLPHJWDAVEY-OAHLLOKOSA-N 2 2 290.455 3.476 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000335729676 212459236 /nfs/dbraw/zinc/45/92/36/212459236.db2.gz BMIWHCUFNPBTHC-CQSZACIVSA-N 2 2 289.810 3.258 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449192747 239236162 /nfs/dbraw/zinc/23/61/62/239236162.db2.gz MDICOXCYVNZYCH-HBUWYVDXSA-N 2 2 298.430 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449192747 239236167 /nfs/dbraw/zinc/23/61/67/239236167.db2.gz MDICOXCYVNZYCH-HBUWYVDXSA-N 2 2 298.430 3.436 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCC(C)(F)F)c[nH+]1 ZINC000449351615 239338544 /nfs/dbraw/zinc/33/85/44/239338544.db2.gz QKMAUZFFYFCVKS-UHFFFAOYSA-N 2 2 256.340 3.348 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335660816 212378302 /nfs/dbraw/zinc/37/83/02/212378302.db2.gz LRTRXEJZJQVQGL-UKRRQHHQSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335660816 212378306 /nfs/dbraw/zinc/37/83/06/212378306.db2.gz LRTRXEJZJQVQGL-UKRRQHHQSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000450828465 240104622 /nfs/dbraw/zinc/10/46/22/240104622.db2.gz LNLVSJRLBDLFEU-QFBILLFUSA-N 2 2 299.462 3.382 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000450828465 240104625 /nfs/dbraw/zinc/10/46/25/240104625.db2.gz LNLVSJRLBDLFEU-QFBILLFUSA-N 2 2 299.462 3.382 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275574708 193077661 /nfs/dbraw/zinc/07/76/61/193077661.db2.gz OPUWFYDCGGSISK-ZMSDIMECSA-N 2 2 291.439 3.365 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCCCOc1ccccc1 ZINC000275711657 193110986 /nfs/dbraw/zinc/11/09/86/193110986.db2.gz LBFKYLYVLJQMFS-MRXNPFEDSA-N 2 2 287.407 3.111 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459344589 242083598 /nfs/dbraw/zinc/08/35/98/242083598.db2.gz HEWZEEYPEMFZSD-HNNXBMFYSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000459344589 242083603 /nfs/dbraw/zinc/08/36/03/242083603.db2.gz HEWZEEYPEMFZSD-HNNXBMFYSA-N 2 2 296.361 3.360 20 0 CGADLP CCCC[N@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459333487 242076551 /nfs/dbraw/zinc/07/65/51/242076551.db2.gz YTOLJLARAMQQMK-UHFFFAOYSA-N 2 2 263.429 3.397 20 0 CGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459333487 242076557 /nfs/dbraw/zinc/07/65/57/242076557.db2.gz YTOLJLARAMQQMK-UHFFFAOYSA-N 2 2 263.429 3.397 20 0 CGADLP CCc1ccc([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459491833 242124366 /nfs/dbraw/zinc/12/43/66/242124366.db2.gz VTERHMUTIICEID-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccc([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459491833 242124369 /nfs/dbraw/zinc/12/43/69/242124369.db2.gz VTERHMUTIICEID-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1nc2c(s1)CCC2 ZINC000459640967 242160719 /nfs/dbraw/zinc/16/07/19/242160719.db2.gz AAAKSCJILXXIFC-LLVKDONJSA-N 2 2 298.415 3.130 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000459660429 242166923 /nfs/dbraw/zinc/16/69/23/242166923.db2.gz LLGPOVRBZDCCQY-KRWDZBQOSA-N 2 2 299.393 3.327 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000462834805 242369006 /nfs/dbraw/zinc/36/90/06/242369006.db2.gz AOXVYXSBCISERT-DACLVMHWSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC[C@@H]1C ZINC000462834805 242369010 /nfs/dbraw/zinc/36/90/10/242369010.db2.gz AOXVYXSBCISERT-DACLVMHWSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@]1(C[NH2+]Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000121795496 370895686 /nfs/dbraw/zinc/89/56/86/370895686.db2.gz FSFOXCNFQFLPBR-LJQANCHMSA-N 2 2 295.430 3.226 20 0 CGADLP C[C@]1(C[NH2+]Cc2cccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000121795496 370895689 /nfs/dbraw/zinc/89/56/89/370895689.db2.gz FSFOXCNFQFLPBR-LJQANCHMSA-N 2 2 295.430 3.226 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809591 243372841 /nfs/dbraw/zinc/37/28/41/243372841.db2.gz GEBFZQBAEIVANT-NVXWUHKLSA-N 2 2 290.451 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809591 243372849 /nfs/dbraw/zinc/37/28/49/243372849.db2.gz GEBFZQBAEIVANT-NVXWUHKLSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1Br ZINC000019958588 368789508 /nfs/dbraw/zinc/78/95/08/368789508.db2.gz VHPZRJBVZVBUKC-LLVKDONJSA-N 2 2 285.229 3.051 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000035043640 368992347 /nfs/dbraw/zinc/99/23/47/368992347.db2.gz FZJRFQADJZRNPG-HNNXBMFYSA-N 2 2 294.439 3.437 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000037157888 369072133 /nfs/dbraw/zinc/07/21/33/369072133.db2.gz UXNWIHNBVNSFQW-LSDHHAIUSA-N 2 2 257.381 3.239 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157312 369072354 /nfs/dbraw/zinc/07/23/54/369072354.db2.gz UEKXNDQKDXRVTD-ZIAGYGMSSA-N 2 2 273.380 3.021 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000037156940 369073349 /nfs/dbraw/zinc/07/33/49/369073349.db2.gz KKSIRHLYWHZQLZ-JQWIXIFHSA-N 2 2 263.410 3.301 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1OC ZINC000037320176 369081525 /nfs/dbraw/zinc/08/15/25/369081525.db2.gz IRJVFIFDPYNJGX-HIFRSBDPSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000037487256 369085695 /nfs/dbraw/zinc/08/56/95/369085695.db2.gz GLIBHKDMEUFKPS-GFCCVEGCSA-N 2 2 270.804 3.287 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000037487256 369085701 /nfs/dbraw/zinc/08/57/01/369085701.db2.gz GLIBHKDMEUFKPS-GFCCVEGCSA-N 2 2 270.804 3.287 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1ccco1)C1CCCCC1 ZINC000037897158 369123563 /nfs/dbraw/zinc/12/35/63/369123563.db2.gz GUSHMFXPHFVHJN-UHFFFAOYSA-N 2 2 250.386 3.024 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1ccco1)C1CCCCC1 ZINC000037897158 369123569 /nfs/dbraw/zinc/12/35/69/369123569.db2.gz GUSHMFXPHFVHJN-UHFFFAOYSA-N 2 2 250.386 3.024 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccccc1OC ZINC000040502768 369158242 /nfs/dbraw/zinc/15/82/42/369158242.db2.gz SSPDSVHCRBHIKB-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccccc1OC ZINC000040502768 369158246 /nfs/dbraw/zinc/15/82/46/369158246.db2.gz SSPDSVHCRBHIKB-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Cl ZINC000045662739 369283842 /nfs/dbraw/zinc/28/38/42/369283842.db2.gz JLNBUVNLVIOHPP-LBPRGKRZSA-N 2 2 254.805 3.332 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@@H]1C ZINC000494890418 244327496 /nfs/dbraw/zinc/32/74/96/244327496.db2.gz FIKBSVYWPAQWDE-UMVBOHGHSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000494920506 244331565 /nfs/dbraw/zinc/33/15/65/244331565.db2.gz DRUGRIWDUQYLPH-HLLBOEOZSA-N 2 2 283.419 3.108 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365967 /nfs/dbraw/zinc/36/59/67/244365967.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 2 296.414 3.473 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365970 /nfs/dbraw/zinc/36/59/70/244365970.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365976 /nfs/dbraw/zinc/36/59/76/244365976.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201134 244365978 /nfs/dbraw/zinc/36/59/78/244365978.db2.gz MDQLIHPHDFDTLI-YJBOKZPZSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000053032755 369476201 /nfs/dbraw/zinc/47/62/01/369476201.db2.gz BCTJPSMBUNWESV-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000053032755 369476205 /nfs/dbraw/zinc/47/62/05/369476205.db2.gz BCTJPSMBUNWESV-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000054463641 369503229 /nfs/dbraw/zinc/50/32/29/369503229.db2.gz VPKFQMOOITUPHL-ZDUSSCGKSA-N 2 2 272.417 3.228 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000054463641 369503234 /nfs/dbraw/zinc/50/32/34/369503234.db2.gz VPKFQMOOITUPHL-ZDUSSCGKSA-N 2 2 272.417 3.228 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc2ccccc21 ZINC000054763650 369505531 /nfs/dbraw/zinc/50/55/31/369505531.db2.gz UMPGQPQDZNXALJ-GFCCVEGCSA-N 2 2 251.333 3.414 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000061377437 369599524 /nfs/dbraw/zinc/59/95/24/369599524.db2.gz GPXXBAHMRSCPMI-MRXNPFEDSA-N 2 2 296.480 3.147 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000061377437 369599529 /nfs/dbraw/zinc/59/95/29/369599529.db2.gz GPXXBAHMRSCPMI-MRXNPFEDSA-N 2 2 296.480 3.147 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)Cn1cc[nH+]c1 ZINC000062254656 369623355 /nfs/dbraw/zinc/62/33/55/369623355.db2.gz FJWOEAHWEAVJKM-LBPRGKRZSA-N 2 2 297.324 3.328 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccncc1 ZINC000186329419 296148914 /nfs/dbraw/zinc/14/89/14/296148914.db2.gz FNNSULSJBRZRJG-VKJFTORMSA-N 2 2 283.419 3.424 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080985157 369993554 /nfs/dbraw/zinc/99/35/54/369993554.db2.gz XNWPAEQZKXKDNA-HNNXBMFYSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080985157 369993558 /nfs/dbraw/zinc/99/35/58/369993558.db2.gz XNWPAEQZKXKDNA-HNNXBMFYSA-N 2 2 255.365 3.098 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000219348787 376199986 /nfs/dbraw/zinc/19/99/86/376199986.db2.gz YQDLKBVCYKFHNJ-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770386 370157530 /nfs/dbraw/zinc/15/75/30/370157530.db2.gz RLZILHFKNLCFCQ-SQWLQELKSA-N 2 2 276.424 3.177 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770386 370157533 /nfs/dbraw/zinc/15/75/33/370157533.db2.gz RLZILHFKNLCFCQ-SQWLQELKSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770386 370157537 /nfs/dbraw/zinc/15/75/37/370157537.db2.gz RLZILHFKNLCFCQ-SQWLQELKSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770386 370157541 /nfs/dbraw/zinc/15/75/41/370157541.db2.gz RLZILHFKNLCFCQ-SQWLQELKSA-N 2 2 276.424 3.177 20 0 CGADLP CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000108941365 370358824 /nfs/dbraw/zinc/35/88/24/370358824.db2.gz VNXJOYGPOVXBAI-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000118951253 370631826 /nfs/dbraw/zinc/63/18/26/370631826.db2.gz NFXBZLAOUCPZSS-OAHLLOKOSA-N 2 2 299.374 3.186 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130548421 371042390 /nfs/dbraw/zinc/04/23/90/371042390.db2.gz JXVZPNLXEWOTOW-QGZVFWFLSA-N 2 2 295.361 3.293 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000131414912 371105925 /nfs/dbraw/zinc/10/59/25/371105925.db2.gz DQIVUACJIXKRST-LBPRGKRZSA-N 2 2 269.820 3.118 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131719350 371125528 /nfs/dbraw/zinc/12/55/28/371125528.db2.gz IXKQEUSCRQSXBJ-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131719350 371125534 /nfs/dbraw/zinc/12/55/34/371125534.db2.gz IXKQEUSCRQSXBJ-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP C[C@H](Cc1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000132250915 371161289 /nfs/dbraw/zinc/16/12/89/371161289.db2.gz JNLRYGXOPYZZAE-MRXNPFEDSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1(C)CC1 ZINC000132264075 371162156 /nfs/dbraw/zinc/16/21/56/371162156.db2.gz TZQMKRQOEDIVPE-HNNXBMFYSA-N 2 2 283.419 3.252 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000135093595 371390274 /nfs/dbraw/zinc/39/02/74/371390274.db2.gz SFBIMMRWAAWUFM-CQSZACIVSA-N 2 2 294.414 3.361 20 0 CGADLP CCCc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136300876 371473283 /nfs/dbraw/zinc/47/32/83/371473283.db2.gz ZPDXBMUODSNDNC-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCCc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000136300876 371473290 /nfs/dbraw/zinc/47/32/90/371473290.db2.gz ZPDXBMUODSNDNC-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000151550283 371612105 /nfs/dbraw/zinc/61/21/05/371612105.db2.gz XPRXZQHXZWWERV-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000421818658 371640199 /nfs/dbraw/zinc/64/01/99/371640199.db2.gz BWRCPHNINAEIHH-MEDUHNTESA-N 2 2 298.833 3.340 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000421823661 371644443 /nfs/dbraw/zinc/64/44/43/371644443.db2.gz DOXUYXBTVSTACB-RISCZKNCSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000421823661 371644447 /nfs/dbraw/zinc/64/44/47/371644447.db2.gz DOXUYXBTVSTACB-RISCZKNCSA-N 2 2 284.806 3.094 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)c(F)c1 ZINC000421826440 371649984 /nfs/dbraw/zinc/64/99/84/371649984.db2.gz SJVPCOHFIITXRM-CXAGYDPISA-N 2 2 294.414 3.215 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)c(F)c1 ZINC000421826440 371649990 /nfs/dbraw/zinc/64/99/90/371649990.db2.gz SJVPCOHFIITXRM-CXAGYDPISA-N 2 2 294.414 3.215 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421837861 371661202 /nfs/dbraw/zinc/66/12/02/371661202.db2.gz UDSXQKGRHXZAEV-OBJOEFQTSA-N 2 2 296.842 3.482 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421837861 371661205 /nfs/dbraw/zinc/66/12/05/371661205.db2.gz UDSXQKGRHXZAEV-OBJOEFQTSA-N 2 2 296.842 3.482 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337348718 214023678 /nfs/dbraw/zinc/02/36/78/214023678.db2.gz ZHFQGOJAVRACRP-SJLPKXTDSA-N 2 2 289.467 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337348718 214023680 /nfs/dbraw/zinc/02/36/80/214023680.db2.gz ZHFQGOJAVRACRP-SJLPKXTDSA-N 2 2 289.467 3.429 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000153098703 371750589 /nfs/dbraw/zinc/75/05/89/371750589.db2.gz QOOMZNMTUGOTOO-FUHWJXTLSA-N 2 2 290.451 3.086 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422721000 371767611 /nfs/dbraw/zinc/76/76/11/371767611.db2.gz NDEJPEUWSMNHNV-CHWSQXEVSA-N 2 2 291.420 3.153 20 0 CGADLP COc1ccc([C@H]([NH2+]C2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422736369 371774710 /nfs/dbraw/zinc/77/47/10/371774710.db2.gz XXCMRANOGBPPLQ-SJORKVTESA-N 2 2 274.408 3.021 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422752638 371784653 /nfs/dbraw/zinc/78/46/53/371784653.db2.gz CUCVJCKSZAQCLI-ULQDDVLXSA-N 3 2 289.467 3.087 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422772377 371796554 /nfs/dbraw/zinc/79/65/54/371796554.db2.gz XDAOPPGAWPIBAU-KBPBESRZSA-N 2 2 282.815 3.098 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000422785062 371806811 /nfs/dbraw/zinc/80/68/11/371806811.db2.gz QQCANKIWIIUYCR-UONOGXRCSA-N 2 2 297.240 3.199 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422812264 371824393 /nfs/dbraw/zinc/82/43/93/371824393.db2.gz WAHIRWDZCOJFSE-JTQLQIEISA-N 2 2 291.395 3.206 20 0 CGADLP CCC[N@H+](CCc1ccccn1)Cc1cccc2[nH+]ccn21 ZINC000289810583 371828834 /nfs/dbraw/zinc/82/88/34/371828834.db2.gz NMUGWXXMDDFLFU-UHFFFAOYSA-N 2 2 294.402 3.184 20 0 CGADLP CCC[N@@H+](CCc1ccccn1)Cc1cccc2[nH+]ccn21 ZINC000289810583 371828840 /nfs/dbraw/zinc/82/88/40/371828840.db2.gz NMUGWXXMDDFLFU-UHFFFAOYSA-N 2 2 294.402 3.184 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422871940 371847106 /nfs/dbraw/zinc/84/71/06/371847106.db2.gz DYZLVCBVFJKWOB-CQSZACIVSA-N 2 2 299.418 3.442 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000289904176 371850320 /nfs/dbraw/zinc/85/03/20/371850320.db2.gz WVNZNDFXOQFJCA-AEFFLSMTSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000289904176 371850322 /nfs/dbraw/zinc/85/03/22/371850322.db2.gz WVNZNDFXOQFJCA-AEFFLSMTSA-N 2 2 290.451 3.338 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422889872 371854529 /nfs/dbraw/zinc/85/45/29/371854529.db2.gz HCTDMYQPVQXUCQ-JKIFEVAISA-N 2 2 276.424 3.265 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422890524 371857567 /nfs/dbraw/zinc/85/75/67/371857567.db2.gz ILZZVOHFLMMJKS-CHWSQXEVSA-N 2 2 291.420 3.153 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422896141 371859567 /nfs/dbraw/zinc/85/95/67/371859567.db2.gz XNZCYJFIBPRSKU-CABCVRRESA-N 2 2 285.391 3.091 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2(C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422922990 371873769 /nfs/dbraw/zinc/87/37/69/371873769.db2.gz UWISXXBTFQFVHR-DLBZAZTESA-N 2 2 288.435 3.268 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422938108 371881704 /nfs/dbraw/zinc/88/17/04/371881704.db2.gz PJLFPZYEXQCYRZ-JKSUJKDBSA-N 2 2 276.424 3.081 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc2cccnc12 ZINC000344079186 217042743 /nfs/dbraw/zinc/04/27/43/217042743.db2.gz ZGJZRXVCCMVYRB-CQSZACIVSA-N 2 2 294.402 3.166 20 0 CGADLP CCSc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000423059203 371939871 /nfs/dbraw/zinc/93/98/71/371939871.db2.gz FFOOAFXOGCEGQB-JKSUJKDBSA-N 2 2 299.443 3.428 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CC=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422985655 371904521 /nfs/dbraw/zinc/90/45/21/371904521.db2.gz FQUBIJZFNKQHMZ-SZMVWBNQSA-N 2 2 286.419 3.187 20 0 CGADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423001075 371909549 /nfs/dbraw/zinc/90/95/49/371909549.db2.gz DDCFPGOIWUFXQN-KBMXLJTQSA-N 2 2 294.439 3.176 20 0 CGADLP CCc1cnc(C[N@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000290168474 371920348 /nfs/dbraw/zinc/92/03/48/371920348.db2.gz YCQDSDWGQZQLRT-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP CCc1cnc(C[N@@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000290168474 371920354 /nfs/dbraw/zinc/92/03/54/371920354.db2.gz YCQDSDWGQZQLRT-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000290237239 371944170 /nfs/dbraw/zinc/94/41/70/371944170.db2.gz GINRJOKPWDTBHJ-MRXNPFEDSA-N 2 2 284.403 3.380 20 0 CGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290235777 371944198 /nfs/dbraw/zinc/94/41/98/371944198.db2.gz GHEGOOXUGIJJBO-ZDUSSCGKSA-N 2 2 287.407 3.321 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423029994 371924884 /nfs/dbraw/zinc/92/48/84/371924884.db2.gz AZWDUDSQJIVCPV-KNPMLCFXSA-N 2 2 296.842 3.146 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000423031756 371924900 /nfs/dbraw/zinc/92/49/00/371924900.db2.gz DKPNQUKIDFEFIZ-LSDHHAIUSA-N 2 2 294.826 3.025 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000290182095 371925057 /nfs/dbraw/zinc/92/50/57/371925057.db2.gz ZGZKVVSOKOZYIN-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000290182095 371925065 /nfs/dbraw/zinc/92/50/65/371925065.db2.gz ZGZKVVSOKOZYIN-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423102564 371965634 /nfs/dbraw/zinc/96/56/34/371965634.db2.gz XBECHPDLMGHZTL-RCCFBDPRSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102564 371965643 /nfs/dbraw/zinc/96/56/43/371965643.db2.gz XBECHPDLMGHZTL-RCCFBDPRSA-N 3 2 293.499 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000290494282 371999949 /nfs/dbraw/zinc/99/99/49/371999949.db2.gz WFWLKQPEPKACPM-HNNXBMFYSA-N 2 2 276.424 3.258 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423069892 371945626 /nfs/dbraw/zinc/94/56/26/371945626.db2.gz FIMABMCYKYTBDJ-GUYCJALGSA-N 2 2 258.409 3.184 20 0 CGADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423188622 372015507 /nfs/dbraw/zinc/01/55/07/372015507.db2.gz LUSJHLFSHRECGR-IAGOWNOFSA-N 2 2 258.409 3.260 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423197092 372021530 /nfs/dbraw/zinc/02/15/30/372021530.db2.gz XRLZDOZHXQJDCG-RDTXWAMCSA-N 2 2 281.403 3.151 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(C(C)(C)C)s1 ZINC000290593848 372024364 /nfs/dbraw/zinc/02/43/64/372024364.db2.gz VNCAOXJJOHAQGS-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(C(C)(C)C)s1 ZINC000290593848 372024369 /nfs/dbraw/zinc/02/43/69/372024369.db2.gz VNCAOXJJOHAQGS-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423209002 372031643 /nfs/dbraw/zinc/03/16/43/372031643.db2.gz ZKSYQVQDOLSJNB-NSHDSACASA-N 2 2 293.411 3.209 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423211188 372032098 /nfs/dbraw/zinc/03/20/98/372032098.db2.gz IFUQHNVCDJKPFM-OCCSQVGLSA-N 2 2 272.417 3.428 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423274105 372046335 /nfs/dbraw/zinc/04/63/35/372046335.db2.gz JVYSMOJQUAQBIA-NHYWBVRUSA-N 2 2 272.392 3.383 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423371744 372055274 /nfs/dbraw/zinc/05/52/74/372055274.db2.gz ATQGZTKYROBIJD-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000290509901 372005358 /nfs/dbraw/zinc/00/53/58/372005358.db2.gz WZKREXBRYNMCBL-CQSZACIVSA-N 2 2 270.376 3.379 20 0 CGADLP Cc1ccc2nc(C[NH2+]CCCc3c[nH+]ccc3C)cn2c1 ZINC000290509876 372005802 /nfs/dbraw/zinc/00/58/02/372005802.db2.gz WZHVLRVDIVLBJC-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP COCC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccco1 ZINC000290514792 372008087 /nfs/dbraw/zinc/00/80/87/372008087.db2.gz XEFPGKWWFCUOBO-MRXNPFEDSA-N 2 2 288.391 3.283 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423180547 372008674 /nfs/dbraw/zinc/00/86/74/372008674.db2.gz FFCLGCKCORKHMR-IEBWSBKVSA-N 2 2 298.405 3.451 20 0 CGADLP CCO[C@H](CC[NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000290522089 372009033 /nfs/dbraw/zinc/00/90/33/372009033.db2.gz XOYQDCQEGWCHQA-QGZVFWFLSA-N 2 2 278.440 3.363 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000290522108 372009728 /nfs/dbraw/zinc/00/97/28/372009728.db2.gz XPIQRXONDZUJSU-QGZVFWFLSA-N 2 2 296.414 3.479 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423185947 372013044 /nfs/dbraw/zinc/01/30/44/372013044.db2.gz JQPSBMPYNMXQEA-GJZGRUSLSA-N 2 2 264.800 3.133 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000423532897 372072320 /nfs/dbraw/zinc/07/23/20/372072320.db2.gz RXGSAKUBISLGOF-IPMKNSEASA-N 2 2 278.399 3.019 20 0 CGADLP Cc1cccc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)[nH+]1 ZINC000158576369 372074781 /nfs/dbraw/zinc/07/47/81/372074781.db2.gz HRJGCMWWPJQTMM-CQSZACIVSA-N 2 2 287.432 3.335 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000158768211 372085507 /nfs/dbraw/zinc/08/55/07/372085507.db2.gz SHKOXEVLOPPOSF-CYBMUJFWSA-N 2 2 275.421 3.346 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326317 372131994 /nfs/dbraw/zinc/13/19/94/372131994.db2.gz QBLVMUDETDPWAC-RNCFNFMXSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326317 372132000 /nfs/dbraw/zinc/13/20/00/372132000.db2.gz QBLVMUDETDPWAC-RNCFNFMXSA-N 2 2 290.304 3.156 20 0 CGADLP CCOC1CC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC000291329039 372160635 /nfs/dbraw/zinc/16/06/35/372160635.db2.gz ULNNHAXJGIDMGT-UHFFFAOYSA-N 2 2 285.391 3.469 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000159655548 372163988 /nfs/dbraw/zinc/16/39/88/372163988.db2.gz JGGULGSPLHUKIY-ZDUSSCGKSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000159655548 372163996 /nfs/dbraw/zinc/16/39/96/372163996.db2.gz JGGULGSPLHUKIY-ZDUSSCGKSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000040672070 541867770 /nfs/dbraw/zinc/86/77/70/541867770.db2.gz BTFIOSXCAQHQOJ-VXGBXAGGSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000040672070 541867776 /nfs/dbraw/zinc/86/77/76/541867776.db2.gz BTFIOSXCAQHQOJ-VXGBXAGGSA-N 2 2 284.350 3.033 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427873314 372177505 /nfs/dbraw/zinc/17/75/05/372177505.db2.gz FGQRATAHHOQFTF-IAGOWNOFSA-N 2 2 283.419 3.055 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000428392045 372189960 /nfs/dbraw/zinc/18/99/60/372189960.db2.gz HZTUVMMRAAUAGI-HIFRSBDPSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000428392045 372189962 /nfs/dbraw/zinc/18/99/62/372189962.db2.gz HZTUVMMRAAUAGI-HIFRSBDPSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)o1 ZINC000428392045 372189967 /nfs/dbraw/zinc/18/99/67/372189967.db2.gz HZTUVMMRAAUAGI-HIFRSBDPSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)o1 ZINC000428392045 372189972 /nfs/dbraw/zinc/18/99/72/372189972.db2.gz HZTUVMMRAAUAGI-HIFRSBDPSA-N 2 2 293.455 3.098 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142390 372306355 /nfs/dbraw/zinc/30/63/55/372306355.db2.gz NAVSTRYOQSBVKP-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142390 372306361 /nfs/dbraw/zinc/30/63/61/372306361.db2.gz NAVSTRYOQSBVKP-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000293809808 372490119 /nfs/dbraw/zinc/49/01/19/372490119.db2.gz YYBYSYLTPPHBRX-YOEHRIQHSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163769030 372491749 /nfs/dbraw/zinc/49/17/49/372491749.db2.gz MAEKFHKWBBQFMG-ONGXEEELSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163769030 372491755 /nfs/dbraw/zinc/49/17/55/372491755.db2.gz MAEKFHKWBBQFMG-ONGXEEELSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccs1 ZINC000163800171 372493133 /nfs/dbraw/zinc/49/31/33/372493133.db2.gz FVGFBXFOUPVWPR-LBPRGKRZSA-N 2 2 261.394 3.296 20 0 CGADLP Clc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000293893720 372514490 /nfs/dbraw/zinc/51/44/90/372514490.db2.gz WBPHJISVDLCUMK-INIZCTEOSA-N 2 2 289.810 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254346 372568353 /nfs/dbraw/zinc/56/83/53/372568353.db2.gz HNWRDOGECBKQJT-JCKWVBRZSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254346 372568357 /nfs/dbraw/zinc/56/83/57/372568357.db2.gz HNWRDOGECBKQJT-JCKWVBRZSA-N 2 2 288.435 3.361 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427605629 284340496 /nfs/dbraw/zinc/34/04/96/284340496.db2.gz BNAJESNGNFAPTJ-KRWDZBQOSA-N 2 2 260.425 3.378 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427605629 284340500 /nfs/dbraw/zinc/34/05/00/284340500.db2.gz BNAJESNGNFAPTJ-KRWDZBQOSA-N 2 2 260.425 3.378 20 0 CGADLP c1ccc2cc(OCC[N@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000435231633 372742488 /nfs/dbraw/zinc/74/24/88/372742488.db2.gz XVBNMCFQCQLPKO-SFHVURJKSA-N 2 2 296.414 3.045 20 0 CGADLP c1ccc2cc(OCC[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000435231633 372742496 /nfs/dbraw/zinc/74/24/96/372742496.db2.gz XVBNMCFQCQLPKO-SFHVURJKSA-N 2 2 296.414 3.045 20 0 CGADLP C[NH2+]CCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000435874179 372820712 /nfs/dbraw/zinc/82/07/12/372820712.db2.gz ZNDPUXPCTKWDKZ-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP C[NH2+]CCC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000435874179 372820719 /nfs/dbraw/zinc/82/07/19/372820719.db2.gz ZNDPUXPCTKWDKZ-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP Fc1ccc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C2CCC2)cc1 ZINC000171764220 372825321 /nfs/dbraw/zinc/82/53/21/372825321.db2.gz QZPGOGKSCZCLSO-OAHLLOKOSA-N 2 2 259.328 3.180 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730196 372797899 /nfs/dbraw/zinc/79/78/99/372797899.db2.gz GKDJLWNSOLWWNO-DLKVLKDVSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730196 372797904 /nfs/dbraw/zinc/79/79/04/372797904.db2.gz GKDJLWNSOLWWNO-DLKVLKDVSA-N 2 2 278.827 3.126 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCc3ccc(O)cc3C2)c[nH+]1 ZINC000353445087 220089185 /nfs/dbraw/zinc/08/91/85/220089185.db2.gz GETRXRMPDYDCKI-UHFFFAOYSA-N 2 2 282.387 3.087 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3ccc(O)cc3C2)c[nH+]1 ZINC000353445087 220089187 /nfs/dbraw/zinc/08/91/87/220089187.db2.gz GETRXRMPDYDCKI-UHFFFAOYSA-N 2 2 282.387 3.087 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295679514 372872650 /nfs/dbraw/zinc/87/26/50/372872650.db2.gz KVGYRKFEDNBBNN-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000295679514 372872654 /nfs/dbraw/zinc/87/26/54/372872654.db2.gz KVGYRKFEDNBBNN-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000438337777 372929948 /nfs/dbraw/zinc/92/99/48/372929948.db2.gz ATAMRQJRRSXQHV-QINSGFPZSA-N 2 2 258.409 3.164 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000344719336 217287400 /nfs/dbraw/zinc/28/74/00/217287400.db2.gz VUTSDKYBUKZJSP-CGTJXYLNSA-N 2 2 290.451 3.083 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000344719336 217287402 /nfs/dbraw/zinc/28/74/02/217287402.db2.gz VUTSDKYBUKZJSP-CGTJXYLNSA-N 2 2 290.451 3.083 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353514501 220130565 /nfs/dbraw/zinc/13/05/65/220130565.db2.gz HDOJSGPSRIMBIH-RDJZCZTQSA-N 2 2 287.382 3.490 20 0 CGADLP CCC[NH2+][C@H](C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000296207439 373053783 /nfs/dbraw/zinc/05/37/83/373053783.db2.gz ZMYUUYBCWCCPEF-CYBMUJFWSA-N 2 2 299.374 3.201 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000442776802 373077748 /nfs/dbraw/zinc/07/77/48/373077748.db2.gz HNNXUCWXGPLAPB-OLZOCXBDSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000442776802 373077755 /nfs/dbraw/zinc/07/77/55/373077755.db2.gz HNNXUCWXGPLAPB-OLZOCXBDSA-N 2 2 276.449 3.296 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc(O)c1)[NH+](C)C ZINC000442986350 373137338 /nfs/dbraw/zinc/13/73/38/373137338.db2.gz BUQAXJZFWJEYPX-HNAYVOBHSA-N 2 2 298.430 3.482 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cccc(O)c1)[NH+](C)C ZINC000442986345 373138204 /nfs/dbraw/zinc/13/82/04/373138204.db2.gz BUQAXJZFWJEYPX-BEFAXECRSA-N 2 2 298.430 3.482 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000344869795 217340913 /nfs/dbraw/zinc/34/09/13/217340913.db2.gz DCXCEEHEBQINNN-CYBMUJFWSA-N 2 2 299.349 3.325 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000447066691 373399116 /nfs/dbraw/zinc/39/91/16/373399116.db2.gz LBVKCOMAQOVIKI-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353618551 220196928 /nfs/dbraw/zinc/19/69/28/220196928.db2.gz GIKPPYXMBIMDPR-FUHWJXTLSA-N 2 2 290.451 3.147 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000447934524 373524926 /nfs/dbraw/zinc/52/49/26/373524926.db2.gz YUXIUPCEMDIHKD-UHFFFAOYSA-N 2 2 281.469 3.016 20 0 CGADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000448552519 373586788 /nfs/dbraw/zinc/58/67/88/373586788.db2.gz DONRFDGKWSNTLC-GDBMZVCRSA-N 2 2 258.409 3.182 20 0 CGADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448552519 373586793 /nfs/dbraw/zinc/58/67/93/373586793.db2.gz DONRFDGKWSNTLC-GDBMZVCRSA-N 2 2 258.409 3.182 20 0 CGADLP COc1ccc(F)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000299595163 373577953 /nfs/dbraw/zinc/57/79/53/373577953.db2.gz PROHDEHDIRUNOI-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(F)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000299595163 373577960 /nfs/dbraw/zinc/57/79/60/373577960.db2.gz PROHDEHDIRUNOI-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCCOC3)C2)c[nH+]1 ZINC000353647796 220223112 /nfs/dbraw/zinc/22/31/12/220223112.db2.gz HMVCARHKARBSIP-SFHVURJKSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@]3(CCCOC3)C2)c[nH+]1 ZINC000353647796 220223118 /nfs/dbraw/zinc/22/31/18/220223118.db2.gz HMVCARHKARBSIP-SFHVURJKSA-N 2 2 288.435 3.215 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260779 373674813 /nfs/dbraw/zinc/67/48/13/373674813.db2.gz XRTHQLFXQCLFFW-LSDHHAIUSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccsc1 ZINC000177911342 373725216 /nfs/dbraw/zinc/72/52/16/373725216.db2.gz DGBOWPAWFIMQPF-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP Cc1ccc(CCC[NH+]2C[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000353663590 220236668 /nfs/dbraw/zinc/23/66/68/220236668.db2.gz VKNQBVIPOKQWMH-IAGOWNOFSA-N 2 2 258.409 3.445 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000178311318 373764936 /nfs/dbraw/zinc/76/49/36/373764936.db2.gz IEDJOGKUYLKHMT-GFCCVEGCSA-N 2 2 282.815 3.095 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178327996 373766378 /nfs/dbraw/zinc/76/63/78/373766378.db2.gz VKSMPGGWVBWOBN-GJZGRUSLSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178327996 373766384 /nfs/dbraw/zinc/76/63/84/373766384.db2.gz VKSMPGGWVBWOBN-GJZGRUSLSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301884696 373810460 /nfs/dbraw/zinc/81/04/60/373810460.db2.gz JRAZUHXFFXSOIG-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000301884696 373810465 /nfs/dbraw/zinc/81/04/65/373810465.db2.gz JRAZUHXFFXSOIG-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000449514285 373813675 /nfs/dbraw/zinc/81/36/75/373813675.db2.gz VQESUVITXCHQAB-ROUUACIJSA-N 2 2 292.467 3.201 20 0 CGADLP CC1CCC([NH+]2CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000301552618 373785504 /nfs/dbraw/zinc/78/55/04/373785504.db2.gz YSPRPYNGJCGNGI-UHFFFAOYSA-N 2 2 293.842 3.436 20 0 CGADLP COc1cccc2c(N3CC[NH+](C(C)C)CC3)cc(C)[nH+]c12 ZINC000301687687 373797184 /nfs/dbraw/zinc/79/71/84/373797184.db2.gz VIDGIFIBFGFTCC-UHFFFAOYSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cccc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)[nH+]1 ZINC000301701267 373799227 /nfs/dbraw/zinc/79/92/27/373799227.db2.gz QBESZLXZHCQEGI-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449739500 373868849 /nfs/dbraw/zinc/86/88/49/373868849.db2.gz AYVAHJRDLHRYND-JSGCOSHPSA-N 2 2 290.373 3.039 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCc3ccccc3C2)[nH+]1 ZINC000180051253 373958342 /nfs/dbraw/zinc/95/83/42/373958342.db2.gz HDQKMIIXRXBSQB-UHFFFAOYSA-N 2 2 277.371 3.283 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCc3ccccc3C2)[nH+]1 ZINC000180051253 373958352 /nfs/dbraw/zinc/95/83/52/373958352.db2.gz HDQKMIIXRXBSQB-UHFFFAOYSA-N 2 2 277.371 3.283 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000179804747 373919686 /nfs/dbraw/zinc/91/96/86/373919686.db2.gz ZDXITQXUYZENOH-CJNGLKHVSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000179804747 373919691 /nfs/dbraw/zinc/91/96/91/373919691.db2.gz ZDXITQXUYZENOH-CJNGLKHVSA-N 2 2 282.378 3.490 20 0 CGADLP COc1cccc2c(NC[C@H](C3CC3)[NH+](C)C)c(C)c[nH+]c12 ZINC000302666876 373920312 /nfs/dbraw/zinc/92/03/12/373920312.db2.gz QGXUJKRVIIVURP-OAHLLOKOSA-N 2 2 299.418 3.304 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000179835157 373925524 /nfs/dbraw/zinc/92/55/24/373925524.db2.gz LNKGRLZXIHHMGW-CZUORRHYSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180076093 373964034 /nfs/dbraw/zinc/96/40/34/373964034.db2.gz SSWANDLMSSWBIC-AWEZNQCLSA-N 2 2 277.371 3.454 20 0 CGADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180076093 373964043 /nfs/dbraw/zinc/96/40/43/373964043.db2.gz SSWANDLMSSWBIC-AWEZNQCLSA-N 2 2 277.371 3.454 20 0 CGADLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3c(OC)cccc32)C1 ZINC000450276107 374035992 /nfs/dbraw/zinc/03/59/92/374035992.db2.gz OCVCBNOHPZHHNY-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP CCC[N@H+]1CC[C@@H](CNc2[nH+]ccc3c(OC)cccc32)C1 ZINC000450276107 374035998 /nfs/dbraw/zinc/03/59/98/374035998.db2.gz OCVCBNOHPZHHNY-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP CC[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181132215 374084086 /nfs/dbraw/zinc/08/40/86/374084086.db2.gz SLGMWWJYASSUIQ-HNNXBMFYSA-N 2 2 275.440 3.418 20 0 CGADLP CC[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181132215 374084092 /nfs/dbraw/zinc/08/40/92/374084092.db2.gz SLGMWWJYASSUIQ-HNNXBMFYSA-N 2 2 275.440 3.418 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467188 374150752 /nfs/dbraw/zinc/15/07/52/374150752.db2.gz KQYPAYKBCSAOHP-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467188 374150761 /nfs/dbraw/zinc/15/07/61/374150761.db2.gz KQYPAYKBCSAOHP-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467188 374150765 /nfs/dbraw/zinc/15/07/65/374150765.db2.gz KQYPAYKBCSAOHP-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)C[C@H]1C ZINC000450467188 374150774 /nfs/dbraw/zinc/15/07/74/374150774.db2.gz KQYPAYKBCSAOHP-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000181704607 374158683 /nfs/dbraw/zinc/15/86/83/374158683.db2.gz AGXYWFNAKQYHJC-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000181704607 374158689 /nfs/dbraw/zinc/15/86/89/374158689.db2.gz AGXYWFNAKQYHJC-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000181704607 374158692 /nfs/dbraw/zinc/15/86/92/374158692.db2.gz AGXYWFNAKQYHJC-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000181704607 374158696 /nfs/dbraw/zinc/15/86/96/374158696.db2.gz AGXYWFNAKQYHJC-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Clc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310191420 374210366 /nfs/dbraw/zinc/21/03/66/374210366.db2.gz DFZQQQOXLNKTHX-GHMZBOCLSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310191420 374210373 /nfs/dbraw/zinc/21/03/73/374210373.db2.gz DFZQQQOXLNKTHX-GHMZBOCLSA-N 2 2 270.829 3.118 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)[nH]1 ZINC000080958724 541923349 /nfs/dbraw/zinc/92/33/49/541923349.db2.gz XZMCNARBZMCLKA-HNNXBMFYSA-N 2 2 291.439 3.329 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOC3CCCCCC3)C2)[nH]1 ZINC000080958724 541923355 /nfs/dbraw/zinc/92/33/55/541923355.db2.gz XZMCNARBZMCLKA-HNNXBMFYSA-N 2 2 291.439 3.329 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433706 541936404 /nfs/dbraw/zinc/93/64/04/541936404.db2.gz ZEWIBQHHEIKYDP-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433706 541936406 /nfs/dbraw/zinc/93/64/06/541936406.db2.gz ZEWIBQHHEIKYDP-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP CC(C)COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000184154138 374498327 /nfs/dbraw/zinc/49/83/27/374498327.db2.gz QHEJXQBBCOLYLE-HZPDHXFCSA-N 2 2 294.439 3.067 20 0 CGADLP CC(C)COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154138 374498330 /nfs/dbraw/zinc/49/83/30/374498330.db2.gz QHEJXQBBCOLYLE-HZPDHXFCSA-N 2 2 294.439 3.067 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000090405197 541959465 /nfs/dbraw/zinc/95/94/65/541959465.db2.gz UFDRFUZRHOFRLF-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000185185746 374603514 /nfs/dbraw/zinc/60/35/14/374603514.db2.gz QMSQLRDSFXCGFB-RISCZKNCSA-N 2 2 280.362 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@H+]1C1CC1 ZINC000185185746 374603522 /nfs/dbraw/zinc/60/35/22/374603522.db2.gz QMSQLRDSFXCGFB-RISCZKNCSA-N 2 2 280.362 3.339 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000334389841 374708858 /nfs/dbraw/zinc/70/88/58/374708858.db2.gz SDBBLSTVTDQWOV-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000334389841 374708864 /nfs/dbraw/zinc/70/88/64/374708864.db2.gz SDBBLSTVTDQWOV-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413094 374729254 /nfs/dbraw/zinc/72/92/54/374729254.db2.gz MHZJUYTWWUDHBU-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413094 374729260 /nfs/dbraw/zinc/72/92/60/374729260.db2.gz MHZJUYTWWUDHBU-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP Cc1cccn2c(C[NH2+]C3CCC(F)(F)CC3)c[nH+]c12 ZINC000334413439 374731248 /nfs/dbraw/zinc/73/12/48/374731248.db2.gz LXUZRHIWRCGBNQ-UHFFFAOYSA-N 2 2 279.334 3.310 20 0 CGADLP CC[NH+](CC)CCSCc1ccc(C)[nH+]c1C ZINC000186623331 374889474 /nfs/dbraw/zinc/88/94/74/374889474.db2.gz SXBXXXNNAAIUDU-UHFFFAOYSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329522 374833809 /nfs/dbraw/zinc/83/38/09/374833809.db2.gz GLKCEINOKHQPMZ-DAYGRLMNSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744597 374969747 /nfs/dbraw/zinc/96/97/47/374969747.db2.gz VQTLRGKTSWUUSD-GOEBONIOSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744597 374969753 /nfs/dbraw/zinc/96/97/53/374969753.db2.gz VQTLRGKTSWUUSD-GOEBONIOSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000334646416 374938524 /nfs/dbraw/zinc/93/85/24/374938524.db2.gz IQLXDYJWGUQTNI-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000334646416 374938532 /nfs/dbraw/zinc/93/85/32/374938532.db2.gz IQLXDYJWGUQTNI-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000334997166 375061491 /nfs/dbraw/zinc/06/14/91/375061491.db2.gz AHGRWWFBEVAROT-OAHLLOKOSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000481555811 375166073 /nfs/dbraw/zinc/16/60/73/375166073.db2.gz GIRIVICXRBTCBR-ZWKOTPCHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000481555811 375166079 /nfs/dbraw/zinc/16/60/79/375166079.db2.gz GIRIVICXRBTCBR-ZWKOTPCHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000335144937 375171771 /nfs/dbraw/zinc/17/17/71/375171771.db2.gz SWBJKPICQKOGLZ-ZDUSSCGKSA-N 2 2 275.421 3.088 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000335144937 375171776 /nfs/dbraw/zinc/17/17/76/375171776.db2.gz SWBJKPICQKOGLZ-ZDUSSCGKSA-N 2 2 275.421 3.088 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000188467499 375220196 /nfs/dbraw/zinc/22/01/96/375220196.db2.gz PBEWCDWHWJAKIF-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000188467499 375220201 /nfs/dbraw/zinc/22/02/01/375220201.db2.gz PBEWCDWHWJAKIF-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000188999851 375307243 /nfs/dbraw/zinc/30/72/43/375307243.db2.gz VUZCYVZTURCRJI-ZWKOTPCHSA-N 2 2 272.436 3.083 20 0 CGADLP c1ccc(C[C@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000188999830 375308165 /nfs/dbraw/zinc/30/81/65/375308165.db2.gz VUZCYVZTURCRJI-MSOLQXFVSA-N 2 2 272.436 3.083 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000189052098 375316187 /nfs/dbraw/zinc/31/61/87/375316187.db2.gz LJMKKULQPBMDTC-HNNXBMFYSA-N 2 2 250.430 3.175 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CCC34CCCC4)CC2)ccn1 ZINC000189072483 375317841 /nfs/dbraw/zinc/31/78/41/375317841.db2.gz JJJGJCOPGPPROM-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000335684310 375344441 /nfs/dbraw/zinc/34/44/41/375344441.db2.gz JUSVSTNSTRCHGL-LSDHHAIUSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)ccc2n1 ZINC000189377105 375378832 /nfs/dbraw/zinc/37/88/32/375378832.db2.gz BIMOEJRXWQFPMJ-YOEHRIQHSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)ccc2n1 ZINC000189377105 375378839 /nfs/dbraw/zinc/37/88/39/375378839.db2.gz BIMOEJRXWQFPMJ-YOEHRIQHSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000335729675 375383358 /nfs/dbraw/zinc/38/33/58/375383358.db2.gz BMIWHCUFNPBTHC-AWEZNQCLSA-N 2 2 289.810 3.258 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494403258 375488145 /nfs/dbraw/zinc/48/81/45/375488145.db2.gz HFNHSVUKMAXHBG-NRXISQOPSA-N 2 2 275.440 3.392 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000495163378 375498099 /nfs/dbraw/zinc/49/80/99/375498099.db2.gz IUYHWRUYUGTOPO-QXSJWSMHSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000495163378 375498104 /nfs/dbraw/zinc/49/81/04/375498104.db2.gz IUYHWRUYUGTOPO-QXSJWSMHSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000495163378 375498112 /nfs/dbraw/zinc/49/81/12/375498112.db2.gz IUYHWRUYUGTOPO-QXSJWSMHSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000495163378 375498116 /nfs/dbraw/zinc/49/81/16/375498116.db2.gz IUYHWRUYUGTOPO-QXSJWSMHSA-N 2 2 282.497 3.077 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191241548 375600445 /nfs/dbraw/zinc/60/04/45/375600445.db2.gz QCZCZTSXBMLBPP-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336036038 375636029 /nfs/dbraw/zinc/63/60/29/375636029.db2.gz HHCUMOVEKGCGKR-KSSFIOAISA-N 2 2 297.402 3.088 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336036038 375636033 /nfs/dbraw/zinc/63/60/33/375636033.db2.gz HHCUMOVEKGCGKR-KSSFIOAISA-N 2 2 297.402 3.088 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129344450 542056264 /nfs/dbraw/zinc/05/62/64/542056264.db2.gz TXUYUCWTIAHUKT-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129344450 542056265 /nfs/dbraw/zinc/05/62/65/542056265.db2.gz TXUYUCWTIAHUKT-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000193150439 375833587 /nfs/dbraw/zinc/83/35/87/375833587.db2.gz DECRJBKFVVKHDZ-WMLDXEAASA-N 2 2 287.451 3.223 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000193150439 375833589 /nfs/dbraw/zinc/83/35/89/375833589.db2.gz DECRJBKFVVKHDZ-WMLDXEAASA-N 2 2 287.451 3.223 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000336704796 375911804 /nfs/dbraw/zinc/91/18/04/375911804.db2.gz HJVYAEZWOUVXHH-KBMXLJTQSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000336704796 375911808 /nfs/dbraw/zinc/91/18/08/375911808.db2.gz HJVYAEZWOUVXHH-KBMXLJTQSA-N 2 2 258.409 3.038 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336838252 376000692 /nfs/dbraw/zinc/00/06/92/376000692.db2.gz PTKJXVMKMBPLTL-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000336838252 376000695 /nfs/dbraw/zinc/00/06/95/376000695.db2.gz PTKJXVMKMBPLTL-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000535047496 376017308 /nfs/dbraw/zinc/01/73/08/376017308.db2.gz RMVVTQQMSIKMDX-UHFFFAOYSA-N 2 2 288.366 3.271 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCCC3CCOCC3)CC2)[nH]1 ZINC000337178357 376117541 /nfs/dbraw/zinc/11/75/41/376117541.db2.gz KSPUDANPLFSWGP-UHFFFAOYSA-N 2 2 291.439 3.186 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989866 376154194 /nfs/dbraw/zinc/15/41/94/376154194.db2.gz CNOASWVSVHYHKP-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989866 376154198 /nfs/dbraw/zinc/15/41/98/376154198.db2.gz CNOASWVSVHYHKP-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC000539217393 376298907 /nfs/dbraw/zinc/29/89/07/376298907.db2.gz JZXKUHMJQZZBGL-CRAIPNDOSA-N 2 2 290.451 3.324 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC000539217393 376298910 /nfs/dbraw/zinc/29/89/10/376298910.db2.gz JZXKUHMJQZZBGL-CRAIPNDOSA-N 2 2 290.451 3.324 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274249 376306157 /nfs/dbraw/zinc/30/61/57/376306157.db2.gz GHRYOGOXJRPRRV-DZGCQCFKSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274249 376306164 /nfs/dbraw/zinc/30/61/64/376306164.db2.gz GHRYOGOXJRPRRV-DZGCQCFKSA-N 2 2 296.361 3.360 20 0 CGADLP CC(C)CCC[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000338462081 376381870 /nfs/dbraw/zinc/38/18/70/376381870.db2.gz QYZZMIHFAKJMBS-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752845 376394298 /nfs/dbraw/zinc/39/42/98/376394298.db2.gz KCBITLOJTMZZLD-YJBOKZPZSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752845 376394300 /nfs/dbraw/zinc/39/43/00/376394300.db2.gz KCBITLOJTMZZLD-YJBOKZPZSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753364 376394502 /nfs/dbraw/zinc/39/45/02/376394502.db2.gz NZXMIFICABRSNX-YOEHRIQHSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753364 376394505 /nfs/dbraw/zinc/39/45/05/376394505.db2.gz NZXMIFICABRSNX-YOEHRIQHSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780515 376395909 /nfs/dbraw/zinc/39/59/09/376395909.db2.gz GBKFZGXULUGMMH-GXTWGEPZSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780515 376395915 /nfs/dbraw/zinc/39/59/15/376395915.db2.gz GBKFZGXULUGMMH-GXTWGEPZSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000229553617 376465723 /nfs/dbraw/zinc/46/57/23/376465723.db2.gz VJASDLYGVPVGGX-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000229553617 376465734 /nfs/dbraw/zinc/46/57/34/376465734.db2.gz VJASDLYGVPVGGX-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(F)c1F ZINC000263977883 190087358 /nfs/dbraw/zinc/08/73/58/190087358.db2.gz ZFNUTHVXWKSDLD-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000541846894 376485229 /nfs/dbraw/zinc/48/52/29/376485229.db2.gz JWYBYUCPXAHMFG-QABNGEJJSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000541846894 376485238 /nfs/dbraw/zinc/48/52/38/376485238.db2.gz JWYBYUCPXAHMFG-QABNGEJJSA-N 2 2 284.447 3.382 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000230766886 376540696 /nfs/dbraw/zinc/54/06/96/376540696.db2.gz ZJGZDUQUSPZRRN-JKSUJKDBSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)cc2F)CC[N@@H+]1C ZINC000542702441 376569903 /nfs/dbraw/zinc/56/99/03/376569903.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)cc2F)CC[N@H+]1C ZINC000542702441 376569912 /nfs/dbraw/zinc/56/99/12/376569912.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(F)cc2F)CC[NH+]1C ZINC000542702441 376569922 /nfs/dbraw/zinc/56/99/22/376569922.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)cc2F)CC[NH+]1C ZINC000542702441 376569928 /nfs/dbraw/zinc/56/99/28/376569928.db2.gz GUNDTPGGOBRQFG-GNVQUDOXSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)cc2F)CC[N@@H+]1C ZINC000542702445 376570824 /nfs/dbraw/zinc/57/08/24/376570824.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)cc2F)CC[N@H+]1C ZINC000542702445 376570826 /nfs/dbraw/zinc/57/08/26/376570826.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2F)CC[NH+]1C ZINC000542702445 376570829 /nfs/dbraw/zinc/57/08/29/376570829.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2F)CC[NH+]1C ZINC000542702445 376570833 /nfs/dbraw/zinc/57/08/33/376570833.db2.gz GUNDTPGGOBRQFG-WSXGPOFGSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000235708282 376648583 /nfs/dbraw/zinc/64/85/83/376648583.db2.gz XMRBZICRUATQBS-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000235708282 376648591 /nfs/dbraw/zinc/64/85/91/376648591.db2.gz XMRBZICRUATQBS-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC000339123488 376694743 /nfs/dbraw/zinc/69/47/43/376694743.db2.gz GDXYCDWXCLVRTL-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC000339123488 376694745 /nfs/dbraw/zinc/69/47/45/376694745.db2.gz GDXYCDWXCLVRTL-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151073478 542100423 /nfs/dbraw/zinc/10/04/23/542100423.db2.gz ICDUAWVPSHJDLF-GOEBONIOSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000151073478 542100425 /nfs/dbraw/zinc/10/04/25/542100425.db2.gz ICDUAWVPSHJDLF-GOEBONIOSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4ccccc43)n2c1 ZINC000155714136 542124828 /nfs/dbraw/zinc/12/48/28/542124828.db2.gz HVSVOYBIOPMZAF-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157023436 542132021 /nfs/dbraw/zinc/13/20/21/542132021.db2.gz PGZIBFJOKKTLIK-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157023436 542132026 /nfs/dbraw/zinc/13/20/26/542132026.db2.gz PGZIBFJOKKTLIK-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000340182433 376938248 /nfs/dbraw/zinc/93/82/48/376938248.db2.gz MMBUUPCQFCPMIX-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000557697553 376952555 /nfs/dbraw/zinc/95/25/55/376952555.db2.gz CUDKRTJHIONTFO-BZUAXINKSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000557697553 376952560 /nfs/dbraw/zinc/95/25/60/376952560.db2.gz CUDKRTJHIONTFO-BZUAXINKSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340234009 376956353 /nfs/dbraw/zinc/95/63/53/376956353.db2.gz GPVUHCJFOSDEQW-SUMWQHHRSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340234009 376956367 /nfs/dbraw/zinc/95/63/67/376956367.db2.gz GPVUHCJFOSDEQW-SUMWQHHRSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246337591 377013509 /nfs/dbraw/zinc/01/35/09/377013509.db2.gz UDUGARFXEDBYAO-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246337591 377013515 /nfs/dbraw/zinc/01/35/15/377013515.db2.gz UDUGARFXEDBYAO-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)ccn1 ZINC000340417372 377046794 /nfs/dbraw/zinc/04/67/94/377046794.db2.gz DIJJSJYAAGRTKY-GXOAENINSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+](C)C ZINC000559074020 377062576 /nfs/dbraw/zinc/06/25/76/377062576.db2.gz SLIYZEBOADXWMH-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340467991 377079121 /nfs/dbraw/zinc/07/91/21/377079121.db2.gz CPGMCAUMLLGGIF-CYBMUJFWSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)no1 ZINC000340476876 377088182 /nfs/dbraw/zinc/08/81/82/377088182.db2.gz IRKLEBSGVDCOHY-GXTWGEPZSA-N 2 2 267.417 3.000 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000248030223 377259006 /nfs/dbraw/zinc/25/90/06/377259006.db2.gz QECSQAHEZQOFBQ-WBVHZDCISA-N 2 2 290.476 3.091 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000248030223 377259012 /nfs/dbraw/zinc/25/90/12/377259012.db2.gz QECSQAHEZQOFBQ-WBVHZDCISA-N 2 2 290.476 3.091 20 0 CGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000248053347 377263662 /nfs/dbraw/zinc/26/36/62/377263662.db2.gz WVXVXZNAYDPYFB-JYJNAYRXSA-N 2 2 294.439 3.067 20 0 CGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000248053347 377263666 /nfs/dbraw/zinc/26/36/66/377263666.db2.gz WVXVXZNAYDPYFB-JYJNAYRXSA-N 2 2 294.439 3.067 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063134 377264528 /nfs/dbraw/zinc/26/45/28/377264528.db2.gz LZFKYFPVRXVTQB-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063134 377264537 /nfs/dbraw/zinc/26/45/37/377264537.db2.gz LZFKYFPVRXVTQB-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063134 377264545 /nfs/dbraw/zinc/26/45/45/377264545.db2.gz LZFKYFPVRXVTQB-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063134 377264553 /nfs/dbraw/zinc/26/45/53/377264553.db2.gz LZFKYFPVRXVTQB-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149924 377407954 /nfs/dbraw/zinc/40/79/54/377407954.db2.gz NTAYCMHDSLUMGT-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149924 377407962 /nfs/dbraw/zinc/40/79/62/377407962.db2.gz NTAYCMHDSLUMGT-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341304718 377501376 /nfs/dbraw/zinc/50/13/76/377501376.db2.gz IBLLMSOEHFRDOF-CRAIPNDOSA-N 2 2 287.451 3.214 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2csc3ccccc23)C1 ZINC000563417244 377459924 /nfs/dbraw/zinc/45/99/24/377459924.db2.gz KTANCGNMTUJPPN-UHFFFAOYSA-N 2 2 260.406 3.084 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC000162294778 542163495 /nfs/dbraw/zinc/16/34/95/542163495.db2.gz FDDBMUDHLRNOIW-CYBMUJFWSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)c(C)s1 ZINC000563440488 377466687 /nfs/dbraw/zinc/46/66/87/377466687.db2.gz LVEBHOOTHZNWCA-JTQLQIEISA-N 2 2 263.410 3.258 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CC3)Cc2ccccc2C1 ZINC000563443264 377468135 /nfs/dbraw/zinc/46/81/35/377468135.db2.gz RFFFBDOGNHNGKS-KRWDZBQOSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414268654 249123180 /nfs/dbraw/zinc/12/31/80/249123180.db2.gz JYSPAPSRBZEOQR-LBPRGKRZSA-N 2 2 297.324 3.389 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038819 249131179 /nfs/dbraw/zinc/13/11/79/249131179.db2.gz ZJQPBGXJXSQBQM-XFBWCDHKSA-N 2 2 280.362 3.100 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038819 249131183 /nfs/dbraw/zinc/13/11/83/249131183.db2.gz ZJQPBGXJXSQBQM-XFBWCDHKSA-N 2 2 280.362 3.100 20 0 CGADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516571441 249237863 /nfs/dbraw/zinc/23/78/63/249237863.db2.gz YUZIBAKDNLAEAR-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516571441 249237866 /nfs/dbraw/zinc/23/78/66/249237866.db2.gz YUZIBAKDNLAEAR-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[NH+](CC4CC4)CC3)[nH+]c2c1 ZINC000515501503 249213662 /nfs/dbraw/zinc/21/36/62/249213662.db2.gz BUPSLFKZMNBKEE-UHFFFAOYSA-N 2 2 295.430 3.384 20 0 CGADLP Cc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265448193 190182568 /nfs/dbraw/zinc/18/25/68/190182568.db2.gz BIYHQUPMZXODFE-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000573860694 377586178 /nfs/dbraw/zinc/58/61/78/377586178.db2.gz ZQGOXVWSVSAUDF-GFCCVEGCSA-N 2 2 293.361 3.324 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178651066 542198268 /nfs/dbraw/zinc/19/82/68/542198268.db2.gz RLCCBQUTTIEMGM-BXUZGUMPSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178651066 542198271 /nfs/dbraw/zinc/19/82/71/542198271.db2.gz RLCCBQUTTIEMGM-BXUZGUMPSA-N 2 2 280.412 3.046 20 0 CGADLP CC[C@@H]1C[N@H+](CCNc2[nH+]ccc3ccc(C)cc32)CCO1 ZINC000573958366 377598275 /nfs/dbraw/zinc/59/82/75/377598275.db2.gz GMZMYDRJQBWKPF-MRXNPFEDSA-N 2 2 299.418 3.066 20 0 CGADLP CC[C@@H]1C[N@@H+](CCNc2[nH+]ccc3ccc(C)cc32)CCO1 ZINC000573958366 377598281 /nfs/dbraw/zinc/59/82/81/377598281.db2.gz GMZMYDRJQBWKPF-MRXNPFEDSA-N 2 2 299.418 3.066 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251764677 377598988 /nfs/dbraw/zinc/59/89/88/377598988.db2.gz MAUIOFJQHINBSZ-ISTVAULSSA-N 2 2 270.779 3.209 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251764677 377598994 /nfs/dbraw/zinc/59/89/94/377598994.db2.gz MAUIOFJQHINBSZ-ISTVAULSSA-N 2 2 270.779 3.209 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000253337078 377683224 /nfs/dbraw/zinc/68/32/24/377683224.db2.gz YXBNAHFWZMOBGC-YUSALJHKSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000253337078 377683228 /nfs/dbraw/zinc/68/32/28/377683228.db2.gz YXBNAHFWZMOBGC-YUSALJHKSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975228 377732791 /nfs/dbraw/zinc/73/27/91/377732791.db2.gz WYRJFEBXGOLBDP-ZQDZILKHSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975228 377732798 /nfs/dbraw/zinc/73/27/98/377732798.db2.gz WYRJFEBXGOLBDP-ZQDZILKHSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1[NH3+] ZINC000261657403 377836116 /nfs/dbraw/zinc/83/61/16/377836116.db2.gz XVMNADPGIMJTTJ-RDTXWAMCSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1[NH3+] ZINC000261657403 377836122 /nfs/dbraw/zinc/83/61/22/377836122.db2.gz XVMNADPGIMJTTJ-RDTXWAMCSA-N 2 2 266.388 3.133 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000261919759 377866947 /nfs/dbraw/zinc/86/69/47/377866947.db2.gz KGTSPXUBINKXEO-UHFFFAOYSA-N 2 2 291.197 3.316 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000261919759 377866955 /nfs/dbraw/zinc/86/69/55/377866955.db2.gz KGTSPXUBINKXEO-UHFFFAOYSA-N 2 2 291.197 3.316 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@@H]12 ZINC000262010925 377878924 /nfs/dbraw/zinc/87/89/24/377878924.db2.gz VAFJHMAMHKJEQC-SZEHBUNVSA-N 2 2 291.247 3.224 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@@H]12 ZINC000262010925 377878931 /nfs/dbraw/zinc/87/89/31/377878931.db2.gz VAFJHMAMHKJEQC-SZEHBUNVSA-N 2 2 291.247 3.224 20 0 CGADLP CCC[N@H+](Cc1ccc2nc(C)sc2c1)[C@@H]1CC[NH2+]C1 ZINC000262045458 377881630 /nfs/dbraw/zinc/88/16/30/377881630.db2.gz YYAZMPZERSCERI-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@@H+](Cc1ccc2nc(C)sc2c1)[C@@H]1CC[NH2+]C1 ZINC000262045458 377881634 /nfs/dbraw/zinc/88/16/34/377881634.db2.gz YYAZMPZERSCERI-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CC(C)([NH3+])C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000261789915 377855531 /nfs/dbraw/zinc/85/55/31/377855531.db2.gz OLAGCJUJNLQBDT-UHFFFAOYSA-N 2 2 284.806 3.338 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000343282224 377946650 /nfs/dbraw/zinc/94/66/50/377946650.db2.gz IGSTVBHJXZFEPB-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000343282224 377946655 /nfs/dbraw/zinc/94/66/55/377946655.db2.gz IGSTVBHJXZFEPB-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP C[C@]1([NH2+]CCCn2cc[nH+]c2)CCCc2ccccc21 ZINC000343327909 377952986 /nfs/dbraw/zinc/95/29/86/377952986.db2.gz WPJZDKZTWAEAFG-KRWDZBQOSA-N 2 2 269.392 3.115 20 0 CGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000343497687 377996153 /nfs/dbraw/zinc/99/61/53/377996153.db2.gz SHMXRHMVLISJNG-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP Fc1cccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000343622319 378044316 /nfs/dbraw/zinc/04/43/16/378044316.db2.gz WZYZQILUULBKSF-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)o1 ZINC000578313926 378057354 /nfs/dbraw/zinc/05/73/54/378057354.db2.gz BHQZZWFMUKAYSL-HZPDHXFCSA-N 2 2 299.418 3.128 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2COc3ccccc32)c[nH+]1 ZINC000578470572 378073399 /nfs/dbraw/zinc/07/33/99/378073399.db2.gz KZCBGNHPSSBXTK-INIZCTEOSA-N 2 2 282.387 3.088 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000579354189 378152276 /nfs/dbraw/zinc/15/22/76/378152276.db2.gz SAJQYLPOTSYORQ-ZDUSSCGKSA-N 2 2 276.767 3.133 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000579354189 378152282 /nfs/dbraw/zinc/15/22/82/378152282.db2.gz SAJQYLPOTSYORQ-ZDUSSCGKSA-N 2 2 276.767 3.133 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000268783035 378109231 /nfs/dbraw/zinc/10/92/31/378109231.db2.gz ABILGUVEVPXBIH-XHDPSFHLSA-N 2 2 279.334 3.291 20 0 CGADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C ZINC000345188218 378219041 /nfs/dbraw/zinc/21/90/41/378219041.db2.gz GEFFVFWVLLVJQO-NEPJUHHUSA-N 2 2 275.421 3.215 20 0 CGADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C ZINC000345188218 378219043 /nfs/dbraw/zinc/21/90/43/378219043.db2.gz GEFFVFWVLLVJQO-NEPJUHHUSA-N 2 2 275.421 3.215 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000579400816 378157455 /nfs/dbraw/zinc/15/74/55/378157455.db2.gz NDAHYJJUDFOSTJ-KEYYUXOJSA-N 2 2 258.409 3.166 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000579400816 378157458 /nfs/dbraw/zinc/15/74/58/378157458.db2.gz NDAHYJJUDFOSTJ-KEYYUXOJSA-N 2 2 258.409 3.166 20 0 CGADLP COc1ccccc1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000579468391 378163208 /nfs/dbraw/zinc/16/32/08/378163208.db2.gz FBRDRXIKZKQHLM-UHFFFAOYSA-N 2 2 270.376 3.073 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000582086073 378286183 /nfs/dbraw/zinc/28/61/83/378286183.db2.gz IAQBYVHCEHCTPO-BETUJISGSA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000582086073 378286186 /nfs/dbraw/zinc/28/61/86/378286186.db2.gz IAQBYVHCEHCTPO-BETUJISGSA-N 2 2 289.345 3.326 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000582312387 378303876 /nfs/dbraw/zinc/30/38/76/378303876.db2.gz WHTQRLZASBXWSK-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+]1CCCC[C@H]1C ZINC000582312387 378303879 /nfs/dbraw/zinc/30/38/79/378303879.db2.gz WHTQRLZASBXWSK-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000270944649 378416214 /nfs/dbraw/zinc/41/62/14/378416214.db2.gz ZFEGKQQPOIMPPT-HNNXBMFYSA-N 2 2 289.810 3.334 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000270944649 378416220 /nfs/dbraw/zinc/41/62/20/378416220.db2.gz ZFEGKQQPOIMPPT-HNNXBMFYSA-N 2 2 289.810 3.334 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000271047570 378436954 /nfs/dbraw/zinc/43/69/54/378436954.db2.gz SGODGENNFMSDDK-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP Fc1cc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000271202420 378481054 /nfs/dbraw/zinc/48/10/54/378481054.db2.gz REANGJQHSNNJOA-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346206916 378504029 /nfs/dbraw/zinc/50/40/29/378504029.db2.gz RQNRTFDEKGTBGJ-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346206916 378504035 /nfs/dbraw/zinc/50/40/35/378504035.db2.gz RQNRTFDEKGTBGJ-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP CC(C)OCCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346219891 378509767 /nfs/dbraw/zinc/50/97/67/378509767.db2.gz NHLPKSPQDYBCJC-UHFFFAOYSA-N 2 2 293.436 3.181 20 0 CGADLP CC(C)OCCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346219891 378509770 /nfs/dbraw/zinc/50/97/70/378509770.db2.gz NHLPKSPQDYBCJC-UHFFFAOYSA-N 2 2 293.436 3.181 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000346249493 378519265 /nfs/dbraw/zinc/51/92/65/378519265.db2.gz XTVYVJDJTCLOSR-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000346249493 378519270 /nfs/dbraw/zinc/51/92/70/378519270.db2.gz XTVYVJDJTCLOSR-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@@H+]1C ZINC000346319219 378541290 /nfs/dbraw/zinc/54/12/90/378541290.db2.gz FCBFVXSUUWSFGO-JEWKTJRQSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@H+]1C ZINC000346319219 378541299 /nfs/dbraw/zinc/54/12/99/378541299.db2.gz FCBFVXSUUWSFGO-JEWKTJRQSA-N 2 2 276.399 3.144 20 0 CGADLP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)cc[nH+]1 ZINC000266140870 190233822 /nfs/dbraw/zinc/23/38/22/190233822.db2.gz HAGYCPSZDPMIBE-CYBMUJFWSA-N 2 2 288.420 3.096 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566230262 322110320 /nfs/dbraw/zinc/11/03/20/322110320.db2.gz WTKAKHSUIXZJAU-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566230262 322110322 /nfs/dbraw/zinc/11/03/22/322110322.db2.gz WTKAKHSUIXZJAU-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272330308 378613571 /nfs/dbraw/zinc/61/35/71/378613571.db2.gz WGGVSWGOBBMZLK-ZDUSSCGKSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272330308 378613577 /nfs/dbraw/zinc/61/35/77/378613577.db2.gz WGGVSWGOBBMZLK-ZDUSSCGKSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000346964893 378698235 /nfs/dbraw/zinc/69/82/35/378698235.db2.gz CEVQBQMXDKWCEP-NSHDSACASA-N 2 2 269.458 3.305 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000346964893 378698240 /nfs/dbraw/zinc/69/82/40/378698240.db2.gz CEVQBQMXDKWCEP-NSHDSACASA-N 2 2 269.458 3.305 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)CC2 ZINC000346802738 378688750 /nfs/dbraw/zinc/68/87/50/378688750.db2.gz UQFBQRLIHDIXLD-KBRIMQKVSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)CC2 ZINC000346802738 378688757 /nfs/dbraw/zinc/68/87/57/378688757.db2.gz UQFBQRLIHDIXLD-KBRIMQKVSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000638116947 378705588 /nfs/dbraw/zinc/70/55/88/378705588.db2.gz MVMJLWWHZGORIY-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC000638116947 378705592 /nfs/dbraw/zinc/70/55/92/378705592.db2.gz MVMJLWWHZGORIY-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(F)c1 ZINC000638116947 378705596 /nfs/dbraw/zinc/70/55/96/378705596.db2.gz MVMJLWWHZGORIY-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(F)c1 ZINC000638116947 378705602 /nfs/dbraw/zinc/70/56/02/378705602.db2.gz MVMJLWWHZGORIY-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC000348023776 378756706 /nfs/dbraw/zinc/75/67/06/378756706.db2.gz BXFVZPNHBYPWAT-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC000348023776 378756708 /nfs/dbraw/zinc/75/67/08/378756708.db2.gz BXFVZPNHBYPWAT-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000348065226 378773951 /nfs/dbraw/zinc/77/39/51/378773951.db2.gz BKWFVKCKGUOSSL-UONOGXRCSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC(=O)OC(C)(C)C ZINC000348067956 378776056 /nfs/dbraw/zinc/77/60/56/378776056.db2.gz CZGOCFAEEGJWBO-UHFFFAOYSA-N 2 2 292.423 3.034 20 0 CGADLP Fc1cc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC000638419054 378797241 /nfs/dbraw/zinc/79/72/41/378797241.db2.gz FEQNTYYUTNAWQA-QDMKHBRRSA-N 2 2 285.366 3.147 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CCC1CCCCCC1)CC2 ZINC000348189211 378830779 /nfs/dbraw/zinc/83/07/79/378830779.db2.gz VTYMSGAEOCSZGW-HNNXBMFYSA-N 2 2 261.413 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCN(C)C)C1CCCC1 ZINC000348184595 378827623 /nfs/dbraw/zinc/82/76/23/378827623.db2.gz HYEVQQKGWZFJGV-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](CCN(C)C)C1CCCC1 ZINC000348184595 378827630 /nfs/dbraw/zinc/82/76/30/378827630.db2.gz HYEVQQKGWZFJGV-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1cc(NCCC[NH+](C(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC000348184342 378827802 /nfs/dbraw/zinc/82/78/02/378827802.db2.gz VZAMECHZOCCZGK-UHFFFAOYSA-N 2 2 290.455 3.005 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000274537784 378847279 /nfs/dbraw/zinc/84/72/79/378847279.db2.gz ZQTWGOVACVBTFT-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000274537784 378847282 /nfs/dbraw/zinc/84/72/82/378847282.db2.gz ZQTWGOVACVBTFT-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348236854 378855154 /nfs/dbraw/zinc/85/51/54/378855154.db2.gz CALSZDZMGNDAHE-KBAYOESNSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348236854 378855160 /nfs/dbraw/zinc/85/51/60/378855160.db2.gz CALSZDZMGNDAHE-KBAYOESNSA-N 2 2 272.436 3.112 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348283351 378884093 /nfs/dbraw/zinc/88/40/93/378884093.db2.gz BWBMJZDTYZQTKM-KGLIPLIRSA-N 2 2 284.350 3.073 20 0 CGADLP COCCCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000348302292 378895339 /nfs/dbraw/zinc/89/53/39/378895339.db2.gz BXYFLOPWGDVUTG-QGZVFWFLSA-N 2 2 287.407 3.031 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000638700792 378879313 /nfs/dbraw/zinc/87/93/13/378879313.db2.gz RBHWDQFKQWMZDD-RANZSIQMSA-N 2 2 295.430 3.340 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000347005918 218089334 /nfs/dbraw/zinc/08/93/34/218089334.db2.gz CHRVCNABPFVYSJ-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000347005918 218089337 /nfs/dbraw/zinc/08/93/37/218089337.db2.gz CHRVCNABPFVYSJ-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP F[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348329774 378912067 /nfs/dbraw/zinc/91/20/67/378912067.db2.gz RJFIWOZLMMJXNJ-IKGGRYGDSA-N 2 2 276.399 3.131 20 0 CGADLP F[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348329774 378912074 /nfs/dbraw/zinc/91/20/74/378912074.db2.gz RJFIWOZLMMJXNJ-IKGGRYGDSA-N 2 2 276.399 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000348333890 378914232 /nfs/dbraw/zinc/91/42/32/378914232.db2.gz CKFRAROMNQWWJZ-LSDHHAIUSA-N 2 2 298.377 3.463 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC000274904698 378916539 /nfs/dbraw/zinc/91/65/39/378916539.db2.gz LYKKYKCLLIJUCJ-GFCCVEGCSA-N 2 2 293.842 3.260 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032860 218097730 /nfs/dbraw/zinc/09/77/30/218097730.db2.gz BJQARBWJXMWKIJ-SWLSCSKDSA-N 2 2 298.377 3.032 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032860 218097732 /nfs/dbraw/zinc/09/77/32/218097732.db2.gz BJQARBWJXMWKIJ-SWLSCSKDSA-N 2 2 298.377 3.032 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000348413382 378946913 /nfs/dbraw/zinc/94/69/13/378946913.db2.gz OGIHJDOVCIQMMV-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000348414107 378947365 /nfs/dbraw/zinc/94/73/65/378947365.db2.gz UWNMQILEXVOGRZ-CRAIPNDOSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CC[C@@H](C)C1 ZINC000348414107 378947372 /nfs/dbraw/zinc/94/73/72/378947372.db2.gz UWNMQILEXVOGRZ-CRAIPNDOSA-N 2 2 290.451 3.460 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000278636695 194078494 /nfs/dbraw/zinc/07/84/94/194078494.db2.gz DAPBIUJYNWGTLW-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000370669531 379050025 /nfs/dbraw/zinc/05/00/25/379050025.db2.gz MNVSEKPMQKOVJS-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2cc(F)ccc2o1 ZINC000639175062 379091620 /nfs/dbraw/zinc/09/16/20/379091620.db2.gz HMNQNLAOIWDUDU-UHFFFAOYSA-N 2 2 293.386 3.131 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2cc(F)ccc2o1 ZINC000639175062 379091632 /nfs/dbraw/zinc/09/16/32/379091632.db2.gz HMNQNLAOIWDUDU-UHFFFAOYSA-N 2 2 293.386 3.131 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000277249194 379109664 /nfs/dbraw/zinc/10/96/64/379109664.db2.gz QDQPWDRYUZQVAP-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000277249194 379109674 /nfs/dbraw/zinc/10/96/74/379109674.db2.gz QDQPWDRYUZQVAP-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CCC[NH+]1CCCC1 ZINC000349344670 379240263 /nfs/dbraw/zinc/24/02/63/379240263.db2.gz IKOPTXYQUPUDIR-UHFFFAOYSA-N 3 2 289.467 3.130 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000328190958 284774800 /nfs/dbraw/zinc/77/48/00/284774800.db2.gz AAOZMQNGPBBRQA-IRXDYDNUSA-N 2 2 290.451 3.227 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000373230776 379247915 /nfs/dbraw/zinc/24/79/15/379247915.db2.gz RAZFCBYMBCSFRE-OAHLLOKOSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000373230776 379247922 /nfs/dbraw/zinc/24/79/22/379247922.db2.gz RAZFCBYMBCSFRE-OAHLLOKOSA-N 2 2 294.402 3.281 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000373237930 379247947 /nfs/dbraw/zinc/24/79/47/379247947.db2.gz WECPDOVEGHSIKJ-UHFFFAOYSA-N 2 2 286.375 3.335 20 0 CGADLP CCc1ccccc1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277873489 379256065 /nfs/dbraw/zinc/25/60/65/379256065.db2.gz YRWULSONYDPWSF-UHFFFAOYSA-N 2 2 283.419 3.394 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000349400537 379267709 /nfs/dbraw/zinc/26/77/09/379267709.db2.gz CTCOKJZICQFXMV-RLFYNMQTSA-N 2 2 290.451 3.083 20 0 CGADLP COCC(C)(C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349409602 379269741 /nfs/dbraw/zinc/26/97/41/379269741.db2.gz RPWSFDPUUSAQDN-UHFFFAOYSA-N 2 2 293.455 3.048 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)cc1F)CCCn1cc[nH+]c1 ZINC000349420035 379275683 /nfs/dbraw/zinc/27/56/83/379275683.db2.gz QANYKMNMUPLGGG-DUXPYHPUSA-N 2 2 291.345 3.197 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)cc1F)CCCn1cc[nH+]c1 ZINC000349420035 379275693 /nfs/dbraw/zinc/27/56/93/379275693.db2.gz QANYKMNMUPLGGG-DUXPYHPUSA-N 2 2 291.345 3.197 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000278216932 379319746 /nfs/dbraw/zinc/31/97/46/379319746.db2.gz LDACEVJXEHRXNK-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000278216932 379319752 /nfs/dbraw/zinc/31/97/52/379319752.db2.gz LDACEVJXEHRXNK-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000349641993 379325878 /nfs/dbraw/zinc/32/58/78/379325878.db2.gz AKTGRPYVXIGQFO-DYVFJYSZSA-N 2 2 290.476 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000349641993 379325882 /nfs/dbraw/zinc/32/58/82/379325882.db2.gz AKTGRPYVXIGQFO-DYVFJYSZSA-N 2 2 290.476 3.371 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583046 218280507 /nfs/dbraw/zinc/28/05/07/218280507.db2.gz IZDLDHQACSLNDH-STQMWFEESA-N 2 2 281.469 3.215 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583046 218280508 /nfs/dbraw/zinc/28/05/08/218280508.db2.gz IZDLDHQACSLNDH-STQMWFEESA-N 2 2 281.469 3.215 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc(C)cs1 ZINC000347607190 218288045 /nfs/dbraw/zinc/28/80/45/218288045.db2.gz ACTOUOBOWXVHBI-UONOGXRCSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc(C)cs1 ZINC000347607190 218288048 /nfs/dbraw/zinc/28/80/48/218288048.db2.gz ACTOUOBOWXVHBI-UONOGXRCSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CCOC(C)(C)C)c(C)[nH+]1 ZINC000639520693 379449984 /nfs/dbraw/zinc/44/99/84/379449984.db2.gz VYXYIRMWKRIZQD-UHFFFAOYSA-N 2 2 264.413 3.254 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CCOC(C)(C)C)c(C)[nH+]1 ZINC000639520693 379449993 /nfs/dbraw/zinc/44/99/93/379449993.db2.gz VYXYIRMWKRIZQD-UHFFFAOYSA-N 2 2 264.413 3.254 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542471 379461592 /nfs/dbraw/zinc/46/15/92/379461592.db2.gz HSECKNWAQWWPHR-FZKQIMNGSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542471 379461602 /nfs/dbraw/zinc/46/16/02/379461602.db2.gz HSECKNWAQWWPHR-FZKQIMNGSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2cncc(F)c2)c(C)[nH+]1 ZINC000639584231 379491642 /nfs/dbraw/zinc/49/16/42/379491642.db2.gz QRUHUOPWPHUVKR-LBPRGKRZSA-N 2 2 273.355 3.392 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729753 379595869 /nfs/dbraw/zinc/59/58/69/379595869.db2.gz SGRASWZZKAOVLE-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP C[C@H](c1ccccn1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000267078122 190301978 /nfs/dbraw/zinc/30/19/78/190301978.db2.gz QCXQJDVZOGSIJN-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413100 379676614 /nfs/dbraw/zinc/67/66/14/379676614.db2.gz QEHMDUBSOQKCTK-GVDBMIGSSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000377413100 379676622 /nfs/dbraw/zinc/67/66/22/379676622.db2.gz QEHMDUBSOQKCTK-GVDBMIGSSA-N 2 2 295.430 3.268 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000377748576 379731952 /nfs/dbraw/zinc/73/19/52/379731952.db2.gz SCVIREDMJSALSY-MNOVXSKESA-N 2 2 290.436 3.198 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000377748576 379731957 /nfs/dbraw/zinc/73/19/57/379731957.db2.gz SCVIREDMJSALSY-MNOVXSKESA-N 2 2 290.436 3.198 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)oc1C ZINC000282119404 379856397 /nfs/dbraw/zinc/85/63/97/379856397.db2.gz JJYVBFFCOYQSTR-CYBMUJFWSA-N 2 2 273.380 3.444 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000282320396 379896875 /nfs/dbraw/zinc/89/68/75/379896875.db2.gz UHUYMVCXBOKPDH-GFCCVEGCSA-N 2 2 250.386 3.031 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000389798431 379903845 /nfs/dbraw/zinc/90/38/45/379903845.db2.gz AMMKYCSDLSBTOB-XHHISWJOSA-N 2 2 272.436 3.141 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000389798431 379903851 /nfs/dbraw/zinc/90/38/51/379903851.db2.gz AMMKYCSDLSBTOB-XHHISWJOSA-N 2 2 272.436 3.141 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000404688867 379983291 /nfs/dbraw/zinc/98/32/91/379983291.db2.gz HTFMKPLXEFOPCG-UHFFFAOYSA-N 2 2 278.827 3.365 20 0 CGADLP CCc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000352812697 379977540 /nfs/dbraw/zinc/97/75/40/379977540.db2.gz HCHIDFNOUWHIMV-UHFFFAOYSA-N 2 2 284.407 3.021 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc2occc2c1)Cn1cc[nH+]c1 ZINC000352756361 379942025 /nfs/dbraw/zinc/94/20/25/379942025.db2.gz PLTFVWHSTLVKEQ-ZDUSSCGKSA-N 2 2 269.348 3.055 20 0 CGADLP CO[C@@H](C)C[N@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000347862716 218382419 /nfs/dbraw/zinc/38/24/19/218382419.db2.gz WPGMFGHGGRJBFU-HNNXBMFYSA-N 2 2 264.413 3.068 20 0 CGADLP CO[C@@H](C)C[N@@H+](CCCc1c[nH+]ccc1C)C(C)C ZINC000347862716 218382422 /nfs/dbraw/zinc/38/24/22/218382422.db2.gz WPGMFGHGGRJBFU-HNNXBMFYSA-N 2 2 264.413 3.068 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000282821002 379995460 /nfs/dbraw/zinc/99/54/60/379995460.db2.gz UEEORGOCBYCKQL-CVEARBPZSA-N 2 2 264.388 3.441 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376741 379995521 /nfs/dbraw/zinc/99/55/21/379995521.db2.gz INAARKVZRCDJPL-LSDHHAIUSA-N 2 2 291.414 3.312 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376741 379995529 /nfs/dbraw/zinc/99/55/29/379995529.db2.gz INAARKVZRCDJPL-LSDHHAIUSA-N 2 2 291.414 3.312 20 0 CGADLP CSc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000641704511 380050654 /nfs/dbraw/zinc/05/06/54/380050654.db2.gz HOGAILOTYOEDLZ-UHFFFAOYSA-N 2 2 282.453 3.212 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000347903566 218394358 /nfs/dbraw/zinc/39/43/58/218394358.db2.gz ANGZMPYJFQBHJN-OLZOCXBDSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000347903566 218394360 /nfs/dbraw/zinc/39/43/60/218394360.db2.gz ANGZMPYJFQBHJN-OLZOCXBDSA-N 2 2 281.469 3.073 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)CC2 ZINC000641781551 380096032 /nfs/dbraw/zinc/09/60/32/380096032.db2.gz VCCKESRHIUDBGI-FUHWJXTLSA-N 2 2 281.403 3.329 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805271 380113032 /nfs/dbraw/zinc/11/30/32/380113032.db2.gz FIGZLTHQYPQICT-GRYCIOLGSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805271 380113037 /nfs/dbraw/zinc/11/30/37/380113037.db2.gz FIGZLTHQYPQICT-GRYCIOLGSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@@H]1CC1(C)C ZINC000353114479 380121442 /nfs/dbraw/zinc/12/14/42/380121442.db2.gz BUGBBHNTKVQVQD-OCCSQVGLSA-N 2 2 270.380 3.173 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2n[nH]cc2c1 ZINC000353114353 380121542 /nfs/dbraw/zinc/12/15/42/380121542.db2.gz VTIMOVBONVOHHB-LBPRGKRZSA-N 2 2 291.358 3.061 20 0 CGADLP CCOC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000353233591 380180882 /nfs/dbraw/zinc/18/08/82/380180882.db2.gz FZCQPADFFARCML-HNNXBMFYSA-N 2 2 293.436 3.085 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414268647 380206271 /nfs/dbraw/zinc/20/62/71/380206271.db2.gz JYSPAPSRBZEOQR-GFCCVEGCSA-N 2 2 297.324 3.389 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cc(F)cc(F)c2)c[nH+]1 ZINC000353943332 380245795 /nfs/dbraw/zinc/24/57/95/380245795.db2.gz HZQVXNULYJKXCC-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1C(C)(C)C1(C)C ZINC000353946890 380249414 /nfs/dbraw/zinc/24/94/14/380249414.db2.gz WWTPQXGXFFEKEQ-ZDUSSCGKSA-N 2 2 289.467 3.422 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000353988955 380266977 /nfs/dbraw/zinc/26/69/77/380266977.db2.gz YXISQNRNSSTTDA-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000353988955 380266983 /nfs/dbraw/zinc/26/69/83/380266983.db2.gz YXISQNRNSSTTDA-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP Cc1ccc(CCC[NH2+]C(C)(C)COC(C)C)c[nH+]1 ZINC000414554036 380316887 /nfs/dbraw/zinc/31/68/87/380316887.db2.gz RWANRNCVKYBJGJ-UHFFFAOYSA-N 2 2 264.413 3.116 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccsc2S1 ZINC000643501325 380323317 /nfs/dbraw/zinc/32/33/17/380323317.db2.gz CVXLVFIBARAXIP-GVXVVHGQSA-N 2 2 282.478 3.405 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C(C)C)cc1 ZINC000643502097 380324154 /nfs/dbraw/zinc/32/41/54/380324154.db2.gz XMTDPXRHFQITFT-RDJZCZTQSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc2ccccc2c1 ZINC000643505940 380326222 /nfs/dbraw/zinc/32/62/22/380326222.db2.gz FJCHGAZLSOBXHS-ZDUSSCGKSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000643506201 380328113 /nfs/dbraw/zinc/32/81/13/380328113.db2.gz OBFJFSVVBIZRRT-SNVBAGLBSA-N 2 2 272.314 3.108 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)s1 ZINC000643511419 380333604 /nfs/dbraw/zinc/33/36/04/380333604.db2.gz IVYNDOFUCPDOAG-YGRLFVJLSA-N 2 2 281.469 3.318 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)cc1 ZINC000643461769 380311837 /nfs/dbraw/zinc/31/18/37/380311837.db2.gz OLIZDEUZARPLJD-ZWKOTPCHSA-N 2 2 299.393 3.042 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414674283 380366140 /nfs/dbraw/zinc/36/61/40/380366140.db2.gz DLWFGJDWFLZTPZ-HZPDHXFCSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414674283 380366141 /nfs/dbraw/zinc/36/61/41/380366141.db2.gz DLWFGJDWFLZTPZ-HZPDHXFCSA-N 2 2 264.388 3.336 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000643808357 380382559 /nfs/dbraw/zinc/38/25/59/380382559.db2.gz MSBPXZBXIUHCNN-MHORFTMASA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000643808357 380382565 /nfs/dbraw/zinc/38/25/65/380382565.db2.gz MSBPXZBXIUHCNN-MHORFTMASA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000643528067 380345280 /nfs/dbraw/zinc/34/52/80/380345280.db2.gz YMIHLTGIIJNMQD-RKDXNWHRSA-N 2 2 252.745 3.084 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354200939 380361700 /nfs/dbraw/zinc/36/17/00/380361700.db2.gz RMFOTXFEGRVPLO-YQQAZPJKSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354200939 380361708 /nfs/dbraw/zinc/36/17/08/380361708.db2.gz RMFOTXFEGRVPLO-YQQAZPJKSA-N 2 2 278.415 3.235 20 0 CGADLP CCc1[nH+]c(C)ccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000644167455 380425865 /nfs/dbraw/zinc/42/58/65/380425865.db2.gz DHNKDHSBHYVECJ-HDJSIYSDSA-N 2 2 262.397 3.096 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827801 380438708 /nfs/dbraw/zinc/43/87/08/380438708.db2.gz HUWVPSZLRBSYCW-KSSFIOAISA-N 2 2 286.394 3.436 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414835736 380443669 /nfs/dbraw/zinc/44/36/69/380443669.db2.gz HQOGXWKIRSVBEO-ZDUSSCGKSA-N 2 2 295.496 3.438 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCO[C@H]2C(C)C)c[nH+]1 ZINC000354454226 380444751 /nfs/dbraw/zinc/44/47/51/380444751.db2.gz BOOGVMSZJCZJRC-MSOLQXFVSA-N 2 2 290.451 3.363 20 0 CGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccncc1 ZINC000354454218 380444826 /nfs/dbraw/zinc/44/48/26/380444826.db2.gz BNEGQEWNSBQVQX-QGZVFWFLSA-N 2 2 269.392 3.459 20 0 CGADLP c1cc2c(cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCC[NH2+]2 ZINC000414856822 380458116 /nfs/dbraw/zinc/45/81/16/380458116.db2.gz ZKYXUKBYDXTUIP-BPQIPLTHSA-N 2 2 285.435 3.377 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414840860 380448553 /nfs/dbraw/zinc/44/85/53/380448553.db2.gz MQVMIKGOFIGKII-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414853428 380455534 /nfs/dbraw/zinc/45/55/34/380455534.db2.gz SKVCSOXIESSCPZ-LLVKDONJSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414772710 380399081 /nfs/dbraw/zinc/39/90/81/380399081.db2.gz RKUYRPMRSLLIFK-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414772710 380399084 /nfs/dbraw/zinc/39/90/84/380399084.db2.gz RKUYRPMRSLLIFK-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414792971 380408832 /nfs/dbraw/zinc/40/88/32/380408832.db2.gz JMWQZWIHLNHKOG-LBPRGKRZSA-N 2 2 294.748 3.432 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000414794332 380409271 /nfs/dbraw/zinc/40/92/71/380409271.db2.gz LWHUPZVBCCRVRB-LBPRGKRZSA-N 2 2 261.196 3.066 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414803891 380416847 /nfs/dbraw/zinc/41/68/47/380416847.db2.gz XAEGXOWPNSMEDN-CQSZACIVSA-N 2 2 293.411 3.022 20 0 CGADLP c1nc(C[NH2+]CC[C@H]2CCC[NH2+]2)sc1-c1ccccc1 ZINC000414912447 380487582 /nfs/dbraw/zinc/48/75/82/380487582.db2.gz YCKRYDGWNYIUFU-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)oc2cc1C ZINC000414922946 380492218 /nfs/dbraw/zinc/49/22/18/380492218.db2.gz GOWXJYFCKXWITH-ZBEGNZNMSA-N 2 2 272.392 3.137 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCC[C@H]21 ZINC000354579310 380493867 /nfs/dbraw/zinc/49/38/67/380493867.db2.gz MQOKHROQQCOPAY-CABCVRRESA-N 2 2 269.392 3.345 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCC[C@H]21 ZINC000354579310 380493874 /nfs/dbraw/zinc/49/38/74/380493874.db2.gz MQOKHROQQCOPAY-CABCVRRESA-N 2 2 269.392 3.345 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935334 380496440 /nfs/dbraw/zinc/49/64/40/380496440.db2.gz FTWXIDOBUUNSBJ-GUYCJALGSA-N 2 2 256.393 3.475 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000354588897 380497362 /nfs/dbraw/zinc/49/73/62/380497362.db2.gz XUQPUMKQLWTNGY-UHFFFAOYSA-N 2 2 287.382 3.375 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[NH2+]1 ZINC000414941959 380500608 /nfs/dbraw/zinc/50/06/08/380500608.db2.gz DCHCOKIZRQSVIH-ZYHUDNBSSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH2+]1 ZINC000414948194 380502377 /nfs/dbraw/zinc/50/23/77/380502377.db2.gz LTJHLJIAHOZXGT-CXAGYDPISA-N 2 2 299.393 3.118 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354633117 380507788 /nfs/dbraw/zinc/50/77/88/380507788.db2.gz NQZOQJRQAGGBFQ-IAGOWNOFSA-N 2 2 283.419 3.227 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)c2cccnc2)c[nH+]1 ZINC000354650504 380514635 /nfs/dbraw/zinc/51/46/35/380514635.db2.gz PFUBQZRQYLHYKF-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H](C)c2cccnc2)c[nH+]1 ZINC000354650504 380514645 /nfs/dbraw/zinc/51/46/45/380514645.db2.gz PFUBQZRQYLHYKF-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP c1sc(C[NH2+][C@H]2CCC[NH2+]C2)cc1-c1ccccc1 ZINC000414866558 380465062 /nfs/dbraw/zinc/46/50/62/380465062.db2.gz NCXBLJNUBRMYAT-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C3)c2)cc1 ZINC000414889333 380475701 /nfs/dbraw/zinc/47/57/01/380475701.db2.gz TXWAOLWJUAEAPH-GOSISDBHSA-N 2 2 266.388 3.114 20 0 CGADLP COc1cccc2c1C[N@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000644903931 380544300 /nfs/dbraw/zinc/54/43/00/380544300.db2.gz CCZPUVMDTAOUSE-UHFFFAOYSA-N 2 2 285.391 3.031 20 0 CGADLP COc1cccc2c1C[N@@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000644903931 380544307 /nfs/dbraw/zinc/54/43/07/380544307.db2.gz CCZPUVMDTAOUSE-UHFFFAOYSA-N 2 2 285.391 3.031 20 0 CGADLP CC[C@H]1CN(c2cccc(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000354809103 380557447 /nfs/dbraw/zinc/55/74/47/380557447.db2.gz RQHPGCSNPIQXNE-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP CC[C@H]1CN(c2cccc(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000354809103 380557448 /nfs/dbraw/zinc/55/74/48/380557448.db2.gz RQHPGCSNPIQXNE-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCSCC1 ZINC000355113105 380579786 /nfs/dbraw/zinc/57/97/86/380579786.db2.gz JCSDTAYQCLSHGB-CQSZACIVSA-N 2 2 284.513 3.230 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCSCC1 ZINC000355113105 380579793 /nfs/dbraw/zinc/57/97/93/380579793.db2.gz JCSDTAYQCLSHGB-CQSZACIVSA-N 2 2 284.513 3.230 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000355112881 380580095 /nfs/dbraw/zinc/58/00/95/380580095.db2.gz DTTAELZJQKREOP-GFCCVEGCSA-N 2 2 293.480 3.155 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000645416183 380675332 /nfs/dbraw/zinc/67/53/32/380675332.db2.gz MNGZBZPCPNWSGN-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP Fc1ccccc1CCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000355610183 380726907 /nfs/dbraw/zinc/72/69/07/380726907.db2.gz RGMGTNGGVLPMKR-UHFFFAOYSA-N 2 2 283.350 3.196 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccnc1 ZINC000356683482 380822249 /nfs/dbraw/zinc/82/22/49/380822249.db2.gz UFFKEFFORJNWEB-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP Clc1cccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)c1 ZINC000646095560 380832889 /nfs/dbraw/zinc/83/28/89/380832889.db2.gz WMOUFCNZJFZEQT-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357144985 381042872 /nfs/dbraw/zinc/04/28/72/381042872.db2.gz KHJZTBSBBSLOKX-RYUDHWBXSA-N 2 2 290.794 3.128 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357144985 381042877 /nfs/dbraw/zinc/04/28/77/381042877.db2.gz KHJZTBSBBSLOKX-RYUDHWBXSA-N 2 2 290.794 3.128 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000357410007 381147350 /nfs/dbraw/zinc/14/73/50/381147350.db2.gz FPDOZPYQUPUXDP-MAUKXSAKSA-N 2 2 290.451 3.468 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000357410006 381148222 /nfs/dbraw/zinc/14/82/22/381148222.db2.gz FPDOZPYQUPUXDP-CRAIPNDOSA-N 2 2 290.451 3.468 20 0 CGADLP Cc1ccc2[nH+]ccc(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC000357416996 381152424 /nfs/dbraw/zinc/15/24/24/381152424.db2.gz HYDOQYLDOYDWKG-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000359948723 381382426 /nfs/dbraw/zinc/38/24/26/381382426.db2.gz CVNHNAKPMFOLFE-JKIFEVAISA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000359948723 381382433 /nfs/dbraw/zinc/38/24/33/381382433.db2.gz CVNHNAKPMFOLFE-JKIFEVAISA-N 2 2 276.424 3.075 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000360079804 381438591 /nfs/dbraw/zinc/43/85/91/381438591.db2.gz PYYDLVJBENSFBH-HOCLYGCPSA-N 2 2 299.418 3.428 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000360702126 381622322 /nfs/dbraw/zinc/62/23/22/381622322.db2.gz ZIPBWXSLKIEWHG-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221164707 542288045 /nfs/dbraw/zinc/28/80/45/542288045.db2.gz PEKYJJDZWLRRLW-LLVKDONJSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221164707 542288047 /nfs/dbraw/zinc/28/80/47/542288047.db2.gz PEKYJJDZWLRRLW-LLVKDONJSA-N 2 2 273.207 3.177 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361345102 381709784 /nfs/dbraw/zinc/70/97/84/381709784.db2.gz HHSNVEVFFCZKHS-SGMGOOAPSA-N 2 2 295.496 3.393 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361345102 381709788 /nfs/dbraw/zinc/70/97/88/381709788.db2.gz HHSNVEVFFCZKHS-SGMGOOAPSA-N 2 2 295.496 3.393 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361487366 381771551 /nfs/dbraw/zinc/77/15/51/381771551.db2.gz VFDNZAFCSVWZCZ-INIZCTEOSA-N 2 2 287.407 3.023 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947313 207339126 /nfs/dbraw/zinc/33/91/26/207339126.db2.gz XLJZKUXLIWQVAK-KGLIPLIRSA-N 2 2 261.413 3.197 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947313 207339129 /nfs/dbraw/zinc/33/91/29/207339129.db2.gz XLJZKUXLIWQVAK-KGLIPLIRSA-N 2 2 261.413 3.197 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542069 542293791 /nfs/dbraw/zinc/29/37/91/542293791.db2.gz NLJGNKHSOAUMQC-AMFBXLIHSA-N 2 2 271.364 3.087 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000235523796 542312921 /nfs/dbraw/zinc/31/29/21/542312921.db2.gz GJWOYHRNZOBUDO-AAEUAGOBSA-N 2 2 252.427 3.158 20 0 CGADLP CC[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000251695851 542347664 /nfs/dbraw/zinc/34/76/64/542347664.db2.gz IQZFNYFGQDPDNN-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000251695851 542347668 /nfs/dbraw/zinc/34/76/68/542347668.db2.gz IQZFNYFGQDPDNN-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251819165 542348512 /nfs/dbraw/zinc/34/85/12/542348512.db2.gz PDBJEVKRBFBCAQ-GXTWGEPZSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251819165 542348514 /nfs/dbraw/zinc/34/85/14/542348514.db2.gz PDBJEVKRBFBCAQ-GXTWGEPZSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1[NH3+] ZINC000252924921 542351760 /nfs/dbraw/zinc/35/17/60/542351760.db2.gz LWPHKYPNFYQFQX-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1[NH3+] ZINC000252924921 542351763 /nfs/dbraw/zinc/35/17/63/542351763.db2.gz LWPHKYPNFYQFQX-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])on2)cc1 ZINC000262549327 542356605 /nfs/dbraw/zinc/35/66/05/542356605.db2.gz SCWCIMDDKKVPFN-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])on2)cc1 ZINC000262549327 542356610 /nfs/dbraw/zinc/35/66/10/542356610.db2.gz SCWCIMDDKKVPFN-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000268804404 542362217 /nfs/dbraw/zinc/36/22/17/542362217.db2.gz ZWPBVOWYZZVXCA-BRWVUGGUSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000268804404 542362220 /nfs/dbraw/zinc/36/22/20/542362220.db2.gz ZWPBVOWYZZVXCA-BRWVUGGUSA-N 2 2 274.383 3.029 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423356041 533005749 /nfs/dbraw/zinc/00/57/49/533005749.db2.gz GKMFPPQCESPHAM-XUJVJEKNSA-N 2 2 264.438 3.057 20 0 CGADLP C[NH2+][C@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000420153264 533026468 /nfs/dbraw/zinc/02/64/68/533026468.db2.gz FZMYZBYCJJRBEZ-ZDUSSCGKSA-N 2 2 290.455 3.086 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(Cl)c1 ZINC000335275005 208081357 /nfs/dbraw/zinc/08/13/57/208081357.db2.gz JJTOYPYTXGTFTJ-GXSJLCMTSA-N 2 2 281.812 3.264 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000575715629 322486450 /nfs/dbraw/zinc/48/64/50/322486450.db2.gz NJJUQFFOCXQHHY-ZDUSSCGKSA-N 2 2 279.453 3.032 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306578 208156331 /nfs/dbraw/zinc/15/63/31/208156331.db2.gz HMNFJZJRGIIOID-OTYXRUKQSA-N 2 2 288.769 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306578 208156336 /nfs/dbraw/zinc/15/63/36/208156336.db2.gz HMNFJZJRGIIOID-OTYXRUKQSA-N 2 2 288.769 3.048 20 0 CGADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000353750434 220300600 /nfs/dbraw/zinc/30/06/00/220300600.db2.gz OEWUXRCRRKINBZ-STQMWFEESA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000353750434 220300602 /nfs/dbraw/zinc/30/06/02/220300602.db2.gz OEWUXRCRRKINBZ-STQMWFEESA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353750434 220300603 /nfs/dbraw/zinc/30/06/03/220300603.db2.gz OEWUXRCRRKINBZ-STQMWFEESA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353750434 220300606 /nfs/dbraw/zinc/30/06/06/220300606.db2.gz OEWUXRCRRKINBZ-STQMWFEESA-N 2 2 281.469 3.010 20 0 CGADLP Cc1ccncc1CCC[NH2+]CCCCNc1cccc[nH+]1 ZINC000289367262 197315466 /nfs/dbraw/zinc/31/54/66/197315466.db2.gz ZIBVLYBZJQOFPL-UHFFFAOYSA-N 2 2 298.434 3.200 20 0 CGADLP C[C@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH]cc[nH+]1 ZINC000285970832 542389474 /nfs/dbraw/zinc/38/94/74/542389474.db2.gz GAOAKMGQDLPYHE-JTQLQIEISA-N 2 2 281.363 3.347 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255002 197277404 /nfs/dbraw/zinc/27/74/04/197277404.db2.gz BRYUUIVLVYXQMW-RGDDUWESSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255002 197277405 /nfs/dbraw/zinc/27/74/05/197277405.db2.gz BRYUUIVLVYXQMW-RGDDUWESSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255002 197277406 /nfs/dbraw/zinc/27/74/06/197277406.db2.gz BRYUUIVLVYXQMW-RGDDUWESSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255002 197277408 /nfs/dbraw/zinc/27/74/08/197277408.db2.gz BRYUUIVLVYXQMW-RGDDUWESSA-N 2 2 294.389 3.252 20 0 CGADLP COCc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289182819 197255955 /nfs/dbraw/zinc/25/59/55/197255955.db2.gz GEKYYOADXGSFBO-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCOc3ccccc32)c[nH+]1 ZINC000354332638 220680378 /nfs/dbraw/zinc/68/03/78/220680378.db2.gz ITUJDDRTSCSWBT-QGZVFWFLSA-N 2 2 296.414 3.479 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000309829742 542427800 /nfs/dbraw/zinc/42/78/00/542427800.db2.gz RUUSFMLBUCPQJM-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C)[nH+]1 ZINC000309829742 542427803 /nfs/dbraw/zinc/42/78/03/542427803.db2.gz RUUSFMLBUCPQJM-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325050642 542443250 /nfs/dbraw/zinc/44/32/50/542443250.db2.gz PJOGFCSNESWDPU-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325050642 542443254 /nfs/dbraw/zinc/44/32/54/542443254.db2.gz PJOGFCSNESWDPU-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355724 542444520 /nfs/dbraw/zinc/44/45/20/542444520.db2.gz OVPCLHLYUYCDDS-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355724 542444523 /nfs/dbraw/zinc/44/45/23/542444523.db2.gz OVPCLHLYUYCDDS-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337509499 296428586 /nfs/dbraw/zinc/42/85/86/296428586.db2.gz HXTSEMVUIGUGOA-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000348087540 542513702 /nfs/dbraw/zinc/51/37/02/542513702.db2.gz POOHTGPYQUYDFF-HZPDHXFCSA-N 2 2 267.376 3.151 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000348100230 542513554 /nfs/dbraw/zinc/51/35/54/542513554.db2.gz DBFYLDNTOPTULH-LSDHHAIUSA-N 2 2 259.397 3.052 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)[nH+]1 ZINC000348104576 542515337 /nfs/dbraw/zinc/51/53/37/542515337.db2.gz QQTXKPSDAKOKJJ-QZTJIDSGSA-N 2 2 295.430 3.252 20 0 CGADLP C[C@@H](NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524356 542558093 /nfs/dbraw/zinc/55/80/93/542558093.db2.gz VRGGBMKMJOZYJY-GDBMZVCRSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524356 542558099 /nfs/dbraw/zinc/55/80/99/542558099.db2.gz VRGGBMKMJOZYJY-GDBMZVCRSA-N 2 2 290.455 3.105 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccc(F)cc31)CCC2 ZINC000358990329 542578819 /nfs/dbraw/zinc/57/88/19/542578819.db2.gz OQMCWBLQGGEFBA-WMLDXEAASA-N 2 2 299.393 3.485 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000423530081 533527820 /nfs/dbraw/zinc/52/78/20/533527820.db2.gz PESYZFIPZRTXHG-JEBQAFNWSA-N 2 2 284.378 3.232 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1Cl)C2 ZINC000389052053 542607247 /nfs/dbraw/zinc/60/72/47/542607247.db2.gz HQBYQRWSKNXMSX-NHYWBVRUSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1Cl)C2 ZINC000389052053 542607249 /nfs/dbraw/zinc/60/72/49/542607249.db2.gz HQBYQRWSKNXMSX-NHYWBVRUSA-N 2 2 282.790 3.040 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438226 542609080 /nfs/dbraw/zinc/60/90/80/542609080.db2.gz NAYPYBWHABAWMR-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438226 542609084 /nfs/dbraw/zinc/60/90/84/542609084.db2.gz NAYPYBWHABAWMR-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CCC(CC)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000409445264 542628620 /nfs/dbraw/zinc/62/86/20/542628620.db2.gz HHZZLPVXSLSVAH-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(CC)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000409445264 542628623 /nfs/dbraw/zinc/62/86/23/542628623.db2.gz HHZZLPVXSLSVAH-INIZCTEOSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@H](C[NH2+]C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000053488076 392084234 /nfs/dbraw/zinc/08/42/34/392084234.db2.gz NPAXFFUVRKUVJW-OAHLLOKOSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@H](C[NH2+]C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000053488076 392084239 /nfs/dbraw/zinc/08/42/39/392084239.db2.gz NPAXFFUVRKUVJW-OAHLLOKOSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000049084942 392032399 /nfs/dbraw/zinc/03/23/99/392032399.db2.gz RJBYAZVZKVPBAI-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000049084942 392032407 /nfs/dbraw/zinc/03/24/07/392032407.db2.gz RJBYAZVZKVPBAI-HOCLYGCPSA-N 2 2 260.425 3.037 20 0 CGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305750 392312366 /nfs/dbraw/zinc/31/23/66/392312366.db2.gz GXWFQXGVMWAXKT-RYQLBKOJSA-N 2 2 299.418 3.154 20 0 CGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305750 392312370 /nfs/dbraw/zinc/31/23/70/392312370.db2.gz GXWFQXGVMWAXKT-RYQLBKOJSA-N 2 2 299.418 3.154 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000361755085 392313748 /nfs/dbraw/zinc/31/37/48/392313748.db2.gz GRWJTQHRPUAQLE-OWCLPIDISA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000361755085 392313753 /nfs/dbraw/zinc/31/37/53/392313753.db2.gz GRWJTQHRPUAQLE-OWCLPIDISA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000361755080 392313859 /nfs/dbraw/zinc/31/38/59/392313859.db2.gz GRWJTQHRPUAQLE-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000361755080 392313863 /nfs/dbraw/zinc/31/38/63/392313863.db2.gz GRWJTQHRPUAQLE-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000104959806 392281810 /nfs/dbraw/zinc/28/18/10/392281810.db2.gz LHVJXBSPIKHTRO-QGZVFWFLSA-N 2 2 287.451 3.170 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000104959806 392281814 /nfs/dbraw/zinc/28/18/14/392281814.db2.gz LHVJXBSPIKHTRO-QGZVFWFLSA-N 2 2 287.451 3.170 20 0 CGADLP FC(F)C1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000282292713 392288163 /nfs/dbraw/zinc/28/81/63/392288163.db2.gz LTNMDUZVFKDDPA-UHFFFAOYSA-N 2 2 283.366 3.297 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434776957 542657259 /nfs/dbraw/zinc/65/72/59/542657259.db2.gz OOAHFZNBEYXANJ-OAHLLOKOSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(C)C)c1 ZINC000362003529 392385451 /nfs/dbraw/zinc/38/54/51/392385451.db2.gz VSVLXNWVRBXRQD-DOTOQJQBSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(C)C)c1 ZINC000362003529 392385456 /nfs/dbraw/zinc/38/54/56/392385456.db2.gz VSVLXNWVRBXRQD-DOTOQJQBSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CC(F)(F)C2)n1-c1ccccc1 ZINC000291692478 392479058 /nfs/dbraw/zinc/47/90/58/392479058.db2.gz JDBXXKNZQMAOIV-UHFFFAOYSA-N 2 2 291.345 3.316 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1CCCCC1)CCC2 ZINC000369772563 392501355 /nfs/dbraw/zinc/50/13/55/392501355.db2.gz LNCXVCPISUDFCI-HNNXBMFYSA-N 2 2 261.413 3.239 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370060773 392503411 /nfs/dbraw/zinc/50/34/11/392503411.db2.gz QJTPTYZLEJKXSP-VEZWFGLTSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000370060773 392503417 /nfs/dbraw/zinc/50/34/17/392503417.db2.gz QJTPTYZLEJKXSP-VEZWFGLTSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3ccc(F)cc31)CC2 ZINC000374595123 392681993 /nfs/dbraw/zinc/68/19/93/392681993.db2.gz ORRLUOGTCBBLFN-KRWDZBQOSA-N 2 2 288.410 3.373 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3ccc(F)cc31)CC2 ZINC000374595123 392681999 /nfs/dbraw/zinc/68/19/99/392681999.db2.gz ORRLUOGTCBBLFN-KRWDZBQOSA-N 2 2 288.410 3.373 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280886 392633769 /nfs/dbraw/zinc/63/37/69/392633769.db2.gz JXMPOMNAWBNIRO-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280886 392633776 /nfs/dbraw/zinc/63/37/76/392633776.db2.gz JXMPOMNAWBNIRO-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000647290324 392641399 /nfs/dbraw/zinc/64/13/99/392641399.db2.gz BYYKKSAAVFLOFZ-WBVHZDCISA-N 2 2 275.440 3.100 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000647290324 392641409 /nfs/dbraw/zinc/64/14/09/392641409.db2.gz BYYKKSAAVFLOFZ-WBVHZDCISA-N 2 2 275.440 3.100 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000373010069 392656228 /nfs/dbraw/zinc/65/62/28/392656228.db2.gz AYSDYMHYOOGMIB-FMKPAKJESA-N 2 2 276.424 3.319 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000373010069 392656233 /nfs/dbraw/zinc/65/62/33/392656233.db2.gz AYSDYMHYOOGMIB-FMKPAKJESA-N 2 2 276.424 3.319 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCCC1 ZINC000334398154 392725118 /nfs/dbraw/zinc/72/51/18/392725118.db2.gz XCDROYNDEJIPAS-GXTWGEPZSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCCC1 ZINC000334398154 392725128 /nfs/dbraw/zinc/72/51/28/392725128.db2.gz XCDROYNDEJIPAS-GXTWGEPZSA-N 2 2 261.413 3.216 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482674 392737899 /nfs/dbraw/zinc/73/78/99/392737899.db2.gz XOYYPIMJNSIHKE-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482674 392737908 /nfs/dbraw/zinc/73/79/08/392737908.db2.gz XOYYPIMJNSIHKE-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000647531251 392752461 /nfs/dbraw/zinc/75/24/61/392752461.db2.gz JWOYQSJJBATULY-UHFFFAOYSA-N 2 2 278.783 3.399 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000647532849 392753983 /nfs/dbraw/zinc/75/39/83/392753983.db2.gz FQYZKBGSLNVWFR-DNVCBOLYSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000647532849 392753991 /nfs/dbraw/zinc/75/39/91/392753991.db2.gz FQYZKBGSLNVWFR-DNVCBOLYSA-N 2 2 296.414 3.032 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000647531450 392754031 /nfs/dbraw/zinc/75/40/31/392754031.db2.gz XPIDIIAGLAAGLG-UHFFFAOYSA-N 2 2 287.432 3.123 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000647531724 392754224 /nfs/dbraw/zinc/75/42/24/392754224.db2.gz VXEZUIMNTLSUFN-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549270 392762457 /nfs/dbraw/zinc/76/24/57/392762457.db2.gz QCGZXNSGIUMGDF-APYUEPQZSA-N 2 2 296.842 3.004 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)c1ccccc1OC(F)F ZINC000647549943 392763846 /nfs/dbraw/zinc/76/38/46/392763846.db2.gz YFDPDBYETXIAEE-DYEKYZERSA-N 2 2 298.377 3.327 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)[C@@H]1C[C@H]1C ZINC000647363632 392708347 /nfs/dbraw/zinc/70/83/47/392708347.db2.gz FLVZRDIFJCIPAG-WQVCFCJDSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C(C)C)C3CC3)cn21 ZINC000647363987 392709041 /nfs/dbraw/zinc/70/90/41/392709041.db2.gz PQTGFHVMTBDLKO-QGZVFWFLSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1C ZINC000647553605 392766998 /nfs/dbraw/zinc/76/69/98/392766998.db2.gz DZGSOCCBMVVCDX-INIZCTEOSA-N 2 2 258.409 3.068 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccsc1 ZINC000187695294 392791802 /nfs/dbraw/zinc/79/18/02/392791802.db2.gz QTVVAEANNKMXGH-CVEARBPZSA-N 2 2 296.480 3.290 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccsc1 ZINC000187695294 392791808 /nfs/dbraw/zinc/79/18/08/392791808.db2.gz QTVVAEANNKMXGH-CVEARBPZSA-N 2 2 296.480 3.290 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000381556755 392909406 /nfs/dbraw/zinc/90/94/06/392909406.db2.gz VRUUXLSDKLPDIZ-BIPUWPRCSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000381556755 392909408 /nfs/dbraw/zinc/90/94/08/392909408.db2.gz VRUUXLSDKLPDIZ-BIPUWPRCSA-N 2 2 264.457 3.274 20 0 CGADLP CCC(C)(C)CC[N@@H+]1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512221561 392850447 /nfs/dbraw/zinc/85/04/47/392850447.db2.gz ZBGLZOFGDPNIQF-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512221561 392850456 /nfs/dbraw/zinc/85/04/56/392850456.db2.gz ZBGLZOFGDPNIQF-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3ccc(F)cc32)CC1 ZINC000336613860 392866184 /nfs/dbraw/zinc/86/61/84/392866184.db2.gz GHEXPPASVTWGTE-HNNXBMFYSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514083108 542733994 /nfs/dbraw/zinc/73/39/94/542733994.db2.gz JSLXPKCDNHFCGT-QZTJIDSGSA-N 2 2 283.419 3.456 20 0 CGADLP Cc1ccc(CCC[NH+]2CCc3ccccc3CC2)c[nH+]1 ZINC000526971139 542741610 /nfs/dbraw/zinc/74/16/10/542741610.db2.gz KTSAJBZBOMYZHU-UHFFFAOYSA-N 2 2 280.415 3.423 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)C(C)(C)C2 ZINC000339637258 392958549 /nfs/dbraw/zinc/95/85/49/392958549.db2.gz RLROOQMJCKZABX-UHFFFAOYSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)C(C)(C)C2 ZINC000339637258 392958551 /nfs/dbraw/zinc/95/85/51/392958551.db2.gz RLROOQMJCKZABX-UHFFFAOYSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000195439803 392967814 /nfs/dbraw/zinc/96/78/14/392967814.db2.gz NGCRWSPEDCFBTB-LBPRGKRZSA-N 2 2 277.799 3.271 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994443 392989858 /nfs/dbraw/zinc/98/98/58/392989858.db2.gz UAZIAHCOOIQLJT-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994443 392989864 /nfs/dbraw/zinc/98/98/64/392989864.db2.gz UAZIAHCOOIQLJT-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP CCCOc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000545855467 393010449 /nfs/dbraw/zinc/01/04/49/393010449.db2.gz GVNLXCCYWJLNEH-UHFFFAOYSA-N 2 2 288.435 3.217 20 0 CGADLP CCCOc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000545855467 393010456 /nfs/dbraw/zinc/01/04/56/393010456.db2.gz GVNLXCCYWJLNEH-UHFFFAOYSA-N 2 2 288.435 3.217 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473530 393032914 /nfs/dbraw/zinc/03/29/14/393032914.db2.gz KWCLIQYYZHZJDR-VHBSBENZSA-N 2 2 296.817 3.265 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473530 393032917 /nfs/dbraw/zinc/03/29/17/393032917.db2.gz KWCLIQYYZHZJDR-VHBSBENZSA-N 2 2 296.817 3.265 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC[C@@H]3C)n2c1 ZINC000466413767 393029007 /nfs/dbraw/zinc/02/90/07/393029007.db2.gz KWDBHAHHULZHTF-UONOGXRCSA-N 2 2 257.381 3.169 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000346792886 393095146 /nfs/dbraw/zinc/09/51/46/393095146.db2.gz DVVJQOXNFWUBTM-COXVUDFISA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC)cc1 ZINC000346792886 393095149 /nfs/dbraw/zinc/09/51/49/393095149.db2.gz DVVJQOXNFWUBTM-COXVUDFISA-N 2 2 276.424 3.219 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000415043531 393109197 /nfs/dbraw/zinc/10/91/97/393109197.db2.gz RPWYMJOYXQGMRT-GFCCVEGCSA-N 2 2 290.304 3.075 20 0 CGADLP COc1ccc([C@@H](C)C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000547285109 393102702 /nfs/dbraw/zinc/10/27/02/393102702.db2.gz OQVGXVAWMJNBQD-INIZCTEOSA-N 2 2 288.435 3.040 20 0 CGADLP COc1ccc([C@@H](C)C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000547285109 393102709 /nfs/dbraw/zinc/10/27/09/393102709.db2.gz OQVGXVAWMJNBQD-INIZCTEOSA-N 2 2 288.435 3.040 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415031363 393104766 /nfs/dbraw/zinc/10/47/66/393104766.db2.gz DVQFLLLYJTUTKD-MRXNPFEDSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000414179228 393042202 /nfs/dbraw/zinc/04/22/02/393042202.db2.gz ABYLKJWTZPILGE-DYWXZXKOSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000414179228 393042209 /nfs/dbraw/zinc/04/22/09/393042209.db2.gz ABYLKJWTZPILGE-DYWXZXKOSA-N 2 2 262.441 3.028 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414649625 393050067 /nfs/dbraw/zinc/05/00/67/393050067.db2.gz AEBFZKGIEJOFLU-MSOLQXFVSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414649625 393050070 /nfs/dbraw/zinc/05/00/70/393050070.db2.gz AEBFZKGIEJOFLU-MSOLQXFVSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414960892 393067081 /nfs/dbraw/zinc/06/70/81/393067081.db2.gz VJUOTNSOULMOKH-ZWNOBZJWSA-N 2 2 293.461 3.102 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000648500111 393068564 /nfs/dbraw/zinc/06/85/64/393068564.db2.gz JGNDVCWGDQRNIZ-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414976838 393075271 /nfs/dbraw/zinc/07/52/71/393075271.db2.gz QLTVETDTAZXSOW-CYBMUJFWSA-N 2 2 287.234 3.471 20 0 CGADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1cccc(Cl)c1 ZINC000414989404 393081228 /nfs/dbraw/zinc/08/12/28/393081228.db2.gz MSZLFWAAFWPRPI-JOYOIKCWSA-N 2 2 276.758 3.016 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415056253 393117962 /nfs/dbraw/zinc/11/79/62/393117962.db2.gz SBWHSQRXUPDPND-WFASDCNBSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415056253 393117973 /nfs/dbraw/zinc/11/79/73/393117973.db2.gz SBWHSQRXUPDPND-WFASDCNBSA-N 2 2 296.817 3.443 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)ccc2c1 ZINC000415064611 393123348 /nfs/dbraw/zinc/12/33/48/393123348.db2.gz DAHYLGHPMYTFSM-QGZVFWFLSA-N 2 2 284.403 3.080 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000415063211 393124176 /nfs/dbraw/zinc/12/41/76/393124176.db2.gz HEBYFNBFGKTSHY-QGZVFWFLSA-N 2 2 272.367 3.178 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000415068604 393126251 /nfs/dbraw/zinc/12/62/51/393126251.db2.gz RKFDXNOJRXTUTP-KRWDZBQOSA-N 2 2 290.357 3.317 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072554 393129717 /nfs/dbraw/zinc/12/97/17/393129717.db2.gz WQQNWVJWRDMCHZ-UHFFFAOYSA-N 2 2 278.783 3.318 20 0 CGADLP C[C@@H](CCC(F)(F)F)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839250 393132129 /nfs/dbraw/zinc/13/21/29/393132129.db2.gz VPNFJVKNZSFAEH-NSHDSACASA-N 2 2 298.312 3.469 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415089402 393140408 /nfs/dbraw/zinc/14/04/08/393140408.db2.gz WNOJXXNHWJPTCB-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469838781 393219754 /nfs/dbraw/zinc/21/97/54/393219754.db2.gz PRPRMVGCALWLOB-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469838781 393219759 /nfs/dbraw/zinc/21/97/59/393219759.db2.gz PRPRMVGCALWLOB-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353615187 393227280 /nfs/dbraw/zinc/22/72/80/393227280.db2.gz YOJLBTIOBINHFJ-UKRRQHHQSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353615187 393227288 /nfs/dbraw/zinc/22/72/88/393227288.db2.gz YOJLBTIOBINHFJ-UKRRQHHQSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328159 393243669 /nfs/dbraw/zinc/24/36/69/393243669.db2.gz ISZHYDVPCHRTIP-DZGCQCFKSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328159 393243677 /nfs/dbraw/zinc/24/36/77/393243677.db2.gz ISZHYDVPCHRTIP-DZGCQCFKSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266925994 393185569 /nfs/dbraw/zinc/18/55/69/393185569.db2.gz NHTSVLUHFBGPPR-UKRRQHHQSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266925994 393185572 /nfs/dbraw/zinc/18/55/72/393185572.db2.gz NHTSVLUHFBGPPR-UKRRQHHQSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000469794477 393216162 /nfs/dbraw/zinc/21/61/62/393216162.db2.gz RFTDGXQBPVYHHX-YJBOKZPZSA-N 2 2 274.452 3.328 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471588658 393285400 /nfs/dbraw/zinc/28/54/00/393285400.db2.gz YKKSRRMPQJWKQC-BPQIPLTHSA-N 2 2 292.467 3.329 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000471600621 393287687 /nfs/dbraw/zinc/28/76/87/393287687.db2.gz CQTWWZOHCKYGLZ-UXLLHSPISA-N 2 2 292.492 3.405 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000471600621 393287689 /nfs/dbraw/zinc/28/76/89/393287689.db2.gz CQTWWZOHCKYGLZ-UXLLHSPISA-N 2 2 292.492 3.405 20 0 CGADLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000648817025 393263322 /nfs/dbraw/zinc/26/33/22/393263322.db2.gz ZQBGJCJZJLOCNV-DGCLKSJQSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000648817025 393263328 /nfs/dbraw/zinc/26/33/28/393263328.db2.gz ZQBGJCJZJLOCNV-DGCLKSJQSA-N 2 2 294.826 3.063 20 0 CGADLP O=C(CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000649287366 393392708 /nfs/dbraw/zinc/39/27/08/393392708.db2.gz YOFJOTXGXBYIJH-KRWDZBQOSA-N 2 2 297.402 3.183 20 0 CGADLP O=C(CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000649287366 393392711 /nfs/dbraw/zinc/39/27/11/393392711.db2.gz YOFJOTXGXBYIJH-KRWDZBQOSA-N 2 2 297.402 3.183 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334881 393392810 /nfs/dbraw/zinc/39/28/10/393392810.db2.gz WCJXQRVKTNSAMG-YWBBTBBSSA-N 2 2 290.373 3.037 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475345479 393394615 /nfs/dbraw/zinc/39/46/15/393394615.db2.gz BAADOGYPXBKBEN-QXRTWZOPSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475345479 393394619 /nfs/dbraw/zinc/39/46/19/393394619.db2.gz BAADOGYPXBKBEN-QXRTWZOPSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000355733535 393338414 /nfs/dbraw/zinc/33/84/14/393338414.db2.gz LOSFNMZGOQNGFV-ILXRZTDVSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000355733535 393338418 /nfs/dbraw/zinc/33/84/18/393338418.db2.gz LOSFNMZGOQNGFV-ILXRZTDVSA-N 2 2 282.472 3.043 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356196734 393378221 /nfs/dbraw/zinc/37/82/21/393378221.db2.gz VHASZYVSEFNCLD-OAHLLOKOSA-N 2 2 292.492 3.382 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000356196734 393378226 /nfs/dbraw/zinc/37/82/26/393378226.db2.gz VHASZYVSEFNCLD-OAHLLOKOSA-N 2 2 292.492 3.382 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@@H]1[NH3+] ZINC000649416717 393416881 /nfs/dbraw/zinc/41/68/81/393416881.db2.gz JKWGMJLDTJEFOA-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@@H]1[NH3+] ZINC000649416717 393416886 /nfs/dbraw/zinc/41/68/86/393416886.db2.gz JKWGMJLDTJEFOA-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000420381679 393479943 /nfs/dbraw/zinc/47/99/43/393479943.db2.gz ZEKLBZRXYYNQOD-JTNHKYCSSA-N 2 2 286.341 3.182 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H](C)C3)cn21 ZINC000647262608 393421102 /nfs/dbraw/zinc/42/11/02/393421102.db2.gz GTUQOMDKVJITHO-UKRRQHHQSA-N 2 2 271.408 3.354 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000427864484 393457170 /nfs/dbraw/zinc/45/71/70/393457170.db2.gz LXYWMYSJSJVXSX-FSPWUOQZSA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000427864484 393457177 /nfs/dbraw/zinc/45/71/77/393457177.db2.gz LXYWMYSJSJVXSX-FSPWUOQZSA-N 2 2 272.436 3.337 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427875771 393457815 /nfs/dbraw/zinc/45/78/15/393457815.db2.gz UJPKSHRPVSYSBF-ZFWWWQNUSA-N 2 2 287.794 3.128 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427855321 393458119 /nfs/dbraw/zinc/45/81/19/393458119.db2.gz SDBFYLAXNANKAB-KFWWJZLASA-N 2 2 261.413 3.146 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](C)[NH3+])C1CC1 ZINC000420315295 393460348 /nfs/dbraw/zinc/46/03/48/393460348.db2.gz LNMWTWVLGHKOHJ-WDEREUQCSA-N 2 2 252.789 3.213 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@H](C)[NH3+])C1CC1 ZINC000420315295 393460359 /nfs/dbraw/zinc/46/03/59/393460359.db2.gz LNMWTWVLGHKOHJ-WDEREUQCSA-N 2 2 252.789 3.213 20 0 CGADLP Clc1ccccc1SCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420332052 393470886 /nfs/dbraw/zinc/47/08/86/393470886.db2.gz CLKBANUFLZQTNG-OCCSQVGLSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1ccccc1SCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420332052 393470891 /nfs/dbraw/zinc/47/08/91/393470891.db2.gz CLKBANUFLZQTNG-OCCSQVGLSA-N 2 2 296.867 3.116 20 0 CGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349179 393473270 /nfs/dbraw/zinc/47/32/70/393473270.db2.gz CAOHJLXIFIWKMF-KWBADKCTSA-N 2 2 288.313 3.068 20 0 CGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349179 393473276 /nfs/dbraw/zinc/47/32/76/393473276.db2.gz CAOHJLXIFIWKMF-KWBADKCTSA-N 2 2 288.313 3.068 20 0 CGADLP CC(C)CCc1nc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cs1 ZINC000420362349 393474453 /nfs/dbraw/zinc/47/44/53/393474453.db2.gz NAGPSZVLTMGHHI-AWEZNQCLSA-N 2 2 295.496 3.209 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1C ZINC000420365986 393476345 /nfs/dbraw/zinc/47/63/45/393476345.db2.gz QPONOYQGTHRTCK-MRXNPFEDSA-N 2 2 290.451 3.277 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000488349501 393492745 /nfs/dbraw/zinc/49/27/45/393492745.db2.gz DVQCMYWYBIRQEQ-XYPHTWIQSA-N 2 2 260.425 3.097 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405924 393500906 /nfs/dbraw/zinc/50/09/06/393500906.db2.gz JZSDYGQNMITRLD-FPCVCCKLSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405924 393500913 /nfs/dbraw/zinc/50/09/13/393500913.db2.gz JZSDYGQNMITRLD-FPCVCCKLSA-N 2 2 284.513 3.227 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C[C@H]2C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000488431256 393511091 /nfs/dbraw/zinc/51/10/91/393511091.db2.gz KPIODUYTUQXWRL-JQHSSLGASA-N 2 2 272.436 3.378 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488451784 393520238 /nfs/dbraw/zinc/52/02/38/393520238.db2.gz FNMZLUVYHSVBBF-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488451784 393520243 /nfs/dbraw/zinc/52/02/43/393520243.db2.gz FNMZLUVYHSVBBF-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c[nH+]c12 ZINC000430098661 393522931 /nfs/dbraw/zinc/52/29/31/393522931.db2.gz WMVHCURSXWIDRX-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cccn2c(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c[nH+]c12 ZINC000430098661 393522935 /nfs/dbraw/zinc/52/29/35/393522935.db2.gz WMVHCURSXWIDRX-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000430115027 393525468 /nfs/dbraw/zinc/52/54/68/393525468.db2.gz UKGIWSAWOOISHW-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000430115027 393525473 /nfs/dbraw/zinc/52/54/73/393525473.db2.gz UKGIWSAWOOISHW-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000430115027 393525478 /nfs/dbraw/zinc/52/54/78/393525478.db2.gz UKGIWSAWOOISHW-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000430115027 393525482 /nfs/dbraw/zinc/52/54/82/393525482.db2.gz UKGIWSAWOOISHW-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488557819 393538395 /nfs/dbraw/zinc/53/83/95/393538395.db2.gz KQSFVAUDLBGGLA-NJAFHUGGSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488557819 393538402 /nfs/dbraw/zinc/53/84/02/393538402.db2.gz KQSFVAUDLBGGLA-NJAFHUGGSA-N 2 2 272.436 3.287 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccccc1)CCC2 ZINC000359952288 393558683 /nfs/dbraw/zinc/55/86/83/393558683.db2.gz KZKMCQHTJVEMLA-GOEBONIOSA-N 2 2 269.392 3.420 20 0 CGADLP CC1=C[C@@H](C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000430282517 393557271 /nfs/dbraw/zinc/55/72/71/393557271.db2.gz FEUVHKCTGXULHT-CQSZACIVSA-N 2 2 267.376 3.270 20 0 CGADLP CC1=C[C@@H](C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000430282517 393557274 /nfs/dbraw/zinc/55/72/74/393557274.db2.gz FEUVHKCTGXULHT-CQSZACIVSA-N 2 2 267.376 3.270 20 0 CGADLP CC(C)CCc1nc(C[N@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000430561587 393574244 /nfs/dbraw/zinc/57/42/44/393574244.db2.gz MXZGHIKBAREBIS-UHFFFAOYSA-N 2 2 283.485 3.148 20 0 CGADLP CC(C)CCc1nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000430561587 393574249 /nfs/dbraw/zinc/57/42/49/393574249.db2.gz MXZGHIKBAREBIS-UHFFFAOYSA-N 2 2 283.485 3.148 20 0 CGADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCc2ccc(Cl)cc21 ZINC000649746626 393571364 /nfs/dbraw/zinc/57/13/64/393571364.db2.gz FHFQQCAZBWLRFX-CYBMUJFWSA-N 2 2 289.810 3.198 20 0 CGADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCc2ccc(Cl)cc21 ZINC000649746626 393571368 /nfs/dbraw/zinc/57/13/68/393571368.db2.gz FHFQQCAZBWLRFX-CYBMUJFWSA-N 2 2 289.810 3.198 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cscc1Cl)C1CCCCC1 ZINC000666801114 542817099 /nfs/dbraw/zinc/81/70/99/542817099.db2.gz ZKZNPXVRTPCBCH-ZDUSSCGKSA-N 2 2 272.845 3.399 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1csc(-c2cccs2)n1)C1CC1 ZINC000430589180 393580283 /nfs/dbraw/zinc/58/02/83/393580283.db2.gz CRYPWZIMVMYSKL-CQSZACIVSA-N 2 2 293.461 3.089 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430610728 393581166 /nfs/dbraw/zinc/58/11/66/393581166.db2.gz LOWNQOCIJDDZRL-KRWDZBQOSA-N 2 2 268.404 3.066 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430610728 393581170 /nfs/dbraw/zinc/58/11/70/393581170.db2.gz LOWNQOCIJDDZRL-KRWDZBQOSA-N 2 2 268.404 3.066 20 0 CGADLP Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c2cccc(F)c2[nH+]1 ZINC000489910110 393619844 /nfs/dbraw/zinc/61/98/44/393619844.db2.gz HUOQNHGDIOEYGZ-GFCCVEGCSA-N 2 2 296.349 3.306 20 0 CGADLP Cn1c[nH+]c2cc(N[C@@H]3CCc4ccc[nH+]c4CC3)ccc21 ZINC000421842638 393635552 /nfs/dbraw/zinc/63/55/52/393635552.db2.gz OFCQJTUDGSRTKK-CQSZACIVSA-N 2 2 292.386 3.328 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000361034452 393651156 /nfs/dbraw/zinc/65/11/56/393651156.db2.gz WYLXMFYLCZUFFE-IPYPFGDCSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000361034452 393651160 /nfs/dbraw/zinc/65/11/60/393651160.db2.gz WYLXMFYLCZUFFE-IPYPFGDCSA-N 2 2 266.454 3.142 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423264637 393657905 /nfs/dbraw/zinc/65/79/05/393657905.db2.gz AMLTVZSJRYASSC-ZIAGYGMSSA-N 2 2 282.815 3.127 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423304755 393660033 /nfs/dbraw/zinc/66/00/33/393660033.db2.gz ZILBWIWZDGJFCT-KGLIPLIRSA-N 2 2 264.413 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000423354562 393663493 /nfs/dbraw/zinc/66/34/93/393663493.db2.gz CYEZJQXFCJUETB-MJVIPROJSA-N 2 2 297.240 3.098 20 0 CGADLP c1cn(CCCC2CC[NH+](CCc3cccnc3)CC2)c[nH+]1 ZINC000361071630 393664045 /nfs/dbraw/zinc/66/40/45/393664045.db2.gz BJUCWVGGZARYHT-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423570738 393673094 /nfs/dbraw/zinc/67/30/94/393673094.db2.gz XAZQHXVOXQYCER-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201730 393748983 /nfs/dbraw/zinc/74/89/83/393748983.db2.gz IONBHYJISHJYIT-BQFCYCMXSA-N 2 2 292.467 3.391 20 0 CGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443434917 393757602 /nfs/dbraw/zinc/75/76/02/393757602.db2.gz YSCHQPXCENDEFV-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443434917 393757604 /nfs/dbraw/zinc/75/76/04/393757604.db2.gz YSCHQPXCENDEFV-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000433149406 393690271 /nfs/dbraw/zinc/69/02/71/393690271.db2.gz DDOXYTNJOVWCHE-INIZCTEOSA-N 2 2 299.374 3.043 20 0 CGADLP C[N@H+](CCCNc1cc[nH+]c2ccncc12)C1CCCCC1 ZINC000444133232 393788252 /nfs/dbraw/zinc/78/82/52/393788252.db2.gz SWTJJGMHLGXLND-UHFFFAOYSA-N 2 2 298.434 3.118 20 0 CGADLP C[N@@H+](CCCNc1cc[nH+]c2ccncc12)C1CCCCC1 ZINC000444133232 393788255 /nfs/dbraw/zinc/78/82/55/393788255.db2.gz SWTJJGMHLGXLND-UHFFFAOYSA-N 2 2 298.434 3.118 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449472255 393882426 /nfs/dbraw/zinc/88/24/26/393882426.db2.gz FLERBGVSIJFMHI-RYQLBKOJSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449472255 393882430 /nfs/dbraw/zinc/88/24/30/393882430.db2.gz FLERBGVSIJFMHI-RYQLBKOJSA-N 2 2 290.451 3.227 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450560301 394018436 /nfs/dbraw/zinc/01/84/36/394018436.db2.gz FERQQJOFLMFDBS-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450560301 394018439 /nfs/dbraw/zinc/01/84/39/394018439.db2.gz FERQQJOFLMFDBS-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC2(CCC2)C1 ZINC000450487505 394003116 /nfs/dbraw/zinc/00/31/16/394003116.db2.gz VDUZIAASYIEMHC-HNNXBMFYSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC2(CCC2)C1 ZINC000450487505 394003117 /nfs/dbraw/zinc/00/31/17/394003117.db2.gz VDUZIAASYIEMHC-HNNXBMFYSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC2(CCC2)C1 ZINC000450487505 394003121 /nfs/dbraw/zinc/00/31/21/394003121.db2.gz VDUZIAASYIEMHC-HNNXBMFYSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC2(CCC2)C1 ZINC000450487505 394003122 /nfs/dbraw/zinc/00/31/22/394003122.db2.gz VDUZIAASYIEMHC-HNNXBMFYSA-N 2 2 250.430 3.125 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)nc1 ZINC000453056528 394155337 /nfs/dbraw/zinc/15/53/37/394155337.db2.gz CNYWVLHWMMKZOO-IBGZPJMESA-N 2 2 299.462 3.214 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000453098478 394170516 /nfs/dbraw/zinc/17/05/16/394170516.db2.gz UXRIILVJOJVBLU-INIZCTEOSA-N 2 2 284.407 3.410 20 0 CGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000453098479 394170841 /nfs/dbraw/zinc/17/08/41/394170841.db2.gz UXRIILVJOJVBLU-MRXNPFEDSA-N 2 2 284.407 3.410 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cs1 ZINC000453194573 394200901 /nfs/dbraw/zinc/20/09/01/394200901.db2.gz NXIBQYCSWIUFJG-OBJOEFQTSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cs1 ZINC000453194573 394200905 /nfs/dbraw/zinc/20/09/05/394200905.db2.gz NXIBQYCSWIUFJG-OBJOEFQTSA-N 2 2 252.427 3.190 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1CCc1ccccc1)CCC2 ZINC000667502577 542879789 /nfs/dbraw/zinc/87/97/89/542879789.db2.gz IHBLNLHRABOJLE-QGZVFWFLSA-N 2 2 295.430 3.427 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1)CCC2 ZINC000667502577 542879792 /nfs/dbraw/zinc/87/97/92/542879792.db2.gz IHBLNLHRABOJLE-QGZVFWFLSA-N 2 2 295.430 3.427 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667589829 542895123 /nfs/dbraw/zinc/89/51/23/542895123.db2.gz DSOLJOYLERXVQD-INIZCTEOSA-N 2 2 297.402 3.175 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667589829 542895124 /nfs/dbraw/zinc/89/51/24/542895124.db2.gz DSOLJOYLERXVQD-INIZCTEOSA-N 2 2 297.402 3.175 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1F ZINC000667533530 542885543 /nfs/dbraw/zinc/88/55/43/542885543.db2.gz VOKSSUPAUSOUON-LLVKDONJSA-N 2 2 295.308 3.207 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1F ZINC000667533530 542885546 /nfs/dbraw/zinc/88/55/46/542885546.db2.gz VOKSSUPAUSOUON-LLVKDONJSA-N 2 2 295.308 3.207 20 0 CGADLP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667543056 542887143 /nfs/dbraw/zinc/88/71/43/542887143.db2.gz OAZPHLVFOOAWRC-MRXNPFEDSA-N 2 2 299.393 3.176 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)n1C ZINC000667642653 542902682 /nfs/dbraw/zinc/90/26/82/542902682.db2.gz GDPJWJPEOUGEGN-MRXNPFEDSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)n1C ZINC000667642653 542902685 /nfs/dbraw/zinc/90/26/85/542902685.db2.gz GDPJWJPEOUGEGN-MRXNPFEDSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)CC(C)(C)c2ccc(C)cc2)n1C ZINC000667670548 542912276 /nfs/dbraw/zinc/91/22/76/542912276.db2.gz SELDCWVOMMJJDX-UHFFFAOYSA-N 2 2 285.435 3.447 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)n1C ZINC000667670548 542912279 /nfs/dbraw/zinc/91/22/79/542912279.db2.gz SELDCWVOMMJJDX-UHFFFAOYSA-N 2 2 285.435 3.447 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1c1ccccc1 ZINC000667690018 542916950 /nfs/dbraw/zinc/91/69/50/542916950.db2.gz MSOBDFOOUGMEMA-SUMWQHHRSA-N 2 2 267.376 3.022 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1c1ccccc1 ZINC000667690018 542916952 /nfs/dbraw/zinc/91/69/52/542916952.db2.gz MSOBDFOOUGMEMA-SUMWQHHRSA-N 2 2 267.376 3.022 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)Cc2ccccc2C)n1C ZINC000668073735 542965557 /nfs/dbraw/zinc/96/55/57/542965557.db2.gz GTQWPFHHEGUFKD-AWEZNQCLSA-N 2 2 271.408 3.100 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)Cc2ccccc2C)n1C ZINC000668073735 542965560 /nfs/dbraw/zinc/96/55/60/542965560.db2.gz GTQWPFHHEGUFKD-AWEZNQCLSA-N 2 2 271.408 3.100 20 0 CGADLP FC1(c2ccccc2)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668082598 542966109 /nfs/dbraw/zinc/96/61/09/542966109.db2.gz RCQNUIAGFZAVAO-UHFFFAOYSA-N 2 2 299.393 3.290 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)n1C ZINC000668079649 542966195 /nfs/dbraw/zinc/96/61/95/542966195.db2.gz NDHMTIQHBMLZJV-PBHICJAKSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)n1C ZINC000668079649 542966198 /nfs/dbraw/zinc/96/61/98/542966198.db2.gz NDHMTIQHBMLZJV-PBHICJAKSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)n1C ZINC000668203358 542988025 /nfs/dbraw/zinc/98/80/25/542988025.db2.gz FXZBRTUCFHONBR-QWQRMKEZSA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)n1C ZINC000668203358 542988026 /nfs/dbraw/zinc/98/80/26/542988026.db2.gz FXZBRTUCFHONBR-QWQRMKEZSA-N 2 2 283.419 3.495 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1CC1CCCC1)CCC2 ZINC000668298589 543003927 /nfs/dbraw/zinc/00/39/27/543003927.db2.gz DLZYTPPKJIWJOR-HNNXBMFYSA-N 2 2 273.424 3.374 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1CC1CCCC1)CCC2 ZINC000668298589 543003930 /nfs/dbraw/zinc/00/39/30/543003930.db2.gz DLZYTPPKJIWJOR-HNNXBMFYSA-N 2 2 273.424 3.374 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CC2 ZINC000668616800 543036314 /nfs/dbraw/zinc/03/63/14/543036314.db2.gz QVEWHFIOYJMYMO-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000668683283 543044313 /nfs/dbraw/zinc/04/43/13/543044313.db2.gz UQKPWAZLHMFRFT-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000668683283 543044317 /nfs/dbraw/zinc/04/43/17/543044317.db2.gz UQKPWAZLHMFRFT-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CC1(C)C ZINC000668814863 543065219 /nfs/dbraw/zinc/06/52/19/543065219.db2.gz WPVDWBAGIJSFBZ-GFCCVEGCSA-N 2 2 275.421 3.412 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CC1(C)C ZINC000668814863 543065223 /nfs/dbraw/zinc/06/52/23/543065223.db2.gz WPVDWBAGIJSFBZ-GFCCVEGCSA-N 2 2 275.421 3.412 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669847647 543127962 /nfs/dbraw/zinc/12/79/62/543127962.db2.gz KIQUIMHLKZCABB-MLHJIOFPSA-N 2 2 295.430 3.482 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000670154604 543141994 /nfs/dbraw/zinc/14/19/94/543141994.db2.gz ZMQRIOOLGLHOLW-INIZCTEOSA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000670154604 543141996 /nfs/dbraw/zinc/14/19/96/543141996.db2.gz ZMQRIOOLGLHOLW-INIZCTEOSA-N 2 2 262.441 3.029 20 0 CGADLP CC[NH+](CC)CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064399 543266301 /nfs/dbraw/zinc/26/63/01/543266301.db2.gz VDCHAUBVXZAZCR-UHFFFAOYSA-N 2 2 278.444 3.308 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CCCCC1 ZINC000359740680 292121841 /nfs/dbraw/zinc/12/18/41/292121841.db2.gz BATQCEQPJRDKDD-INIZCTEOSA-N 2 2 282.472 3.046 20 0 CGADLP FC1(F)C[C@@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000649906473 397751357 /nfs/dbraw/zinc/75/13/57/397751357.db2.gz XNBHRPKBHHHXJV-OAHLLOKOSA-N 2 2 289.329 3.103 20 0 CGADLP FC1(F)C[C@@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000649906473 397751361 /nfs/dbraw/zinc/75/13/61/397751361.db2.gz XNBHRPKBHHHXJV-OAHLLOKOSA-N 2 2 289.329 3.103 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322298 543281357 /nfs/dbraw/zinc/28/13/57/543281357.db2.gz MMIBIBRGHAMXFG-QGZVFWFLSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322298 543281360 /nfs/dbraw/zinc/28/13/60/543281360.db2.gz MMIBIBRGHAMXFG-QGZVFWFLSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650712118 397898746 /nfs/dbraw/zinc/89/87/46/397898746.db2.gz RBGINUHGECGZDG-OLZOCXBDSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650712118 397898747 /nfs/dbraw/zinc/89/87/47/397898747.db2.gz RBGINUHGECGZDG-OLZOCXBDSA-N 2 2 295.496 3.390 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766706 543362056 /nfs/dbraw/zinc/36/20/56/543362056.db2.gz NZCHRBODUAQJMD-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766706 543362058 /nfs/dbraw/zinc/36/20/58/543362058.db2.gz NZCHRBODUAQJMD-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767257 543362633 /nfs/dbraw/zinc/36/26/33/543362633.db2.gz RZVIPVCYINIPAI-DLBZAZTESA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767257 543362634 /nfs/dbraw/zinc/36/26/34/543362634.db2.gz RZVIPVCYINIPAI-DLBZAZTESA-N 2 2 278.415 3.077 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768364 543363206 /nfs/dbraw/zinc/36/32/06/543363206.db2.gz WSNFVMZOGOVIBH-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768364 543363207 /nfs/dbraw/zinc/36/32/07/543363207.db2.gz WSNFVMZOGOVIBH-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676888129 543422809 /nfs/dbraw/zinc/42/28/09/543422809.db2.gz QCUFLQAYMFCMSB-GFCCVEGCSA-N 2 2 275.318 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC000677130542 543435008 /nfs/dbraw/zinc/43/50/08/543435008.db2.gz LCYCRPAPMSOMCV-NSODJVPESA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC000677130542 543435009 /nfs/dbraw/zinc/43/50/09/543435009.db2.gz LCYCRPAPMSOMCV-NSODJVPESA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC000677130546 543435022 /nfs/dbraw/zinc/43/50/22/543435022.db2.gz LCYCRPAPMSOMCV-XAGWURHQSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC000677130546 543435023 /nfs/dbraw/zinc/43/50/23/543435023.db2.gz LCYCRPAPMSOMCV-XAGWURHQSA-N 2 2 280.362 3.024 20 0 CGADLP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000678210690 543494165 /nfs/dbraw/zinc/49/41/65/543494165.db2.gz SALFWAAYKLXYAR-HNNXBMFYSA-N 2 2 255.365 3.451 20 0 CGADLP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000678210690 543494166 /nfs/dbraw/zinc/49/41/66/543494166.db2.gz SALFWAAYKLXYAR-HNNXBMFYSA-N 2 2 255.365 3.451 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234503 543498768 /nfs/dbraw/zinc/49/87/68/543498768.db2.gz GSGKIRBGSBSQLW-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234503 543498770 /nfs/dbraw/zinc/49/87/70/543498770.db2.gz GSGKIRBGSBSQLW-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678302967 543513098 /nfs/dbraw/zinc/51/30/98/543513098.db2.gz PGGUUGWBFXGFFG-MXASKKJJSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678302967 543513100 /nfs/dbraw/zinc/51/31/00/543513100.db2.gz PGGUUGWBFXGFFG-MXASKKJJSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000678590878 543539447 /nfs/dbraw/zinc/53/94/47/543539447.db2.gz LJUYXPBYMZUAEI-JKSUJKDBSA-N 2 2 292.854 3.487 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000678590878 543539448 /nfs/dbraw/zinc/53/94/48/543539448.db2.gz LJUYXPBYMZUAEI-JKSUJKDBSA-N 2 2 292.854 3.487 20 0 CGADLP CCc1ccc([C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C)cc1 ZINC000678685499 543549641 /nfs/dbraw/zinc/54/96/41/543549641.db2.gz HJKDJGKYVUOXGX-RHSMWYFYSA-N 2 2 262.441 3.486 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449554479 292215142 /nfs/dbraw/zinc/21/51/42/292215142.db2.gz BOCACXMQVIUTFY-BHYGNILZSA-N 2 2 260.425 3.171 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037319614 286498365 /nfs/dbraw/zinc/49/83/65/286498365.db2.gz UINYXOKZKUHWAI-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)[C@H](C)C2 ZINC000348186119 292369199 /nfs/dbraw/zinc/36/91/99/292369199.db2.gz LYTFYLQXUZYVPP-DDUZABMNSA-N 2 2 281.403 3.029 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422939390 287009829 /nfs/dbraw/zinc/00/98/29/287009829.db2.gz RIDXNSJXANPZKU-RISCZKNCSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccco2)n1-c1ccccc1 ZINC000080519647 287066489 /nfs/dbraw/zinc/06/64/89/287066489.db2.gz OGBWPGDASXQVCF-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC000072957016 165075738 /nfs/dbraw/zinc/07/57/38/165075738.db2.gz PIMQVJWITIGFHI-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC000072957016 165075739 /nfs/dbraw/zinc/07/57/39/165075739.db2.gz PIMQVJWITIGFHI-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1F ZINC000072957016 165075740 /nfs/dbraw/zinc/07/57/40/165075740.db2.gz PIMQVJWITIGFHI-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1F ZINC000072957016 165075741 /nfs/dbraw/zinc/07/57/41/165075741.db2.gz PIMQVJWITIGFHI-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC(C)C)n1-c1ccccc1 ZINC000081292498 165165022 /nfs/dbraw/zinc/16/50/22/165165022.db2.gz SJLRREKHZORCJB-UHFFFAOYSA-N 2 2 257.381 3.316 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC000086510098 165184131 /nfs/dbraw/zinc/18/41/31/165184131.db2.gz YBDTXWIRCIKVNA-LLVKDONJSA-N 2 2 267.442 3.057 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCC1 ZINC000090050757 165223786 /nfs/dbraw/zinc/22/37/86/165223786.db2.gz RUUKSSOTSHQNPR-CYBMUJFWSA-N 2 2 271.408 3.284 20 0 CGADLP Cn1c[nH+]cc1CNc1ccc([NH+]2CCCCC2)cc1 ZINC000090165819 165229543 /nfs/dbraw/zinc/22/95/43/165229543.db2.gz YXEJGDXLYMGZGC-UHFFFAOYSA-N 2 2 270.380 3.023 20 0 CGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000091333706 287107645 /nfs/dbraw/zinc/10/76/45/287107645.db2.gz FOFFGZSBXNGIHL-DYVFJYSZSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000091333706 287107646 /nfs/dbraw/zinc/10/76/46/287107646.db2.gz FOFFGZSBXNGIHL-DYVFJYSZSA-N 2 2 258.409 3.210 20 0 CGADLP Clc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000094194885 165346151 /nfs/dbraw/zinc/34/61/51/165346151.db2.gz BOIUNYXIOHEEQT-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP CCC[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CC[NH2+]C1 ZINC000094522116 165353818 /nfs/dbraw/zinc/35/38/18/165353818.db2.gz GCCXHJHNPZHBQB-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CC[NH2+]C1 ZINC000094522116 165353822 /nfs/dbraw/zinc/35/38/22/165353822.db2.gz GCCXHJHNPZHBQB-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406341 287116462 /nfs/dbraw/zinc/11/64/62/287116462.db2.gz RRZMLRHRORNDRR-QWHCGFSZSA-N 2 2 293.480 3.014 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406341 287116463 /nfs/dbraw/zinc/11/64/63/287116463.db2.gz RRZMLRHRORNDRR-QWHCGFSZSA-N 2 2 293.480 3.014 20 0 CGADLP CC(C)C1CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000097929142 287125344 /nfs/dbraw/zinc/12/53/44/287125344.db2.gz CMUPOEAROZLMHD-UHFFFAOYSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000112697633 287144119 /nfs/dbraw/zinc/14/41/19/287144119.db2.gz YVEDOTBXKBQYFK-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000112697633 287144121 /nfs/dbraw/zinc/14/41/21/287144121.db2.gz YVEDOTBXKBQYFK-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000116385334 287157260 /nfs/dbraw/zinc/15/72/60/287157260.db2.gz MHRLEVXTUJDTQX-FUHWJXTLSA-N 2 2 274.452 3.472 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000116382023 287157336 /nfs/dbraw/zinc/15/73/36/287157336.db2.gz CRKOODWODJIDNT-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000116382023 287157339 /nfs/dbraw/zinc/15/73/39/287157339.db2.gz CRKOODWODJIDNT-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1F ZINC000020128775 171016092 /nfs/dbraw/zinc/01/60/92/171016092.db2.gz IXUKNJHHXLSDHQ-CQSZACIVSA-N 2 2 264.388 3.352 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000020189283 171053986 /nfs/dbraw/zinc/05/39/86/171053986.db2.gz ATQMLMRNEVBUCF-LBPRGKRZSA-N 2 2 282.378 3.488 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000020189677 171055309 /nfs/dbraw/zinc/05/53/09/171055309.db2.gz NZJVTKFFXMMNBU-LBPRGKRZSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020506203 171228300 /nfs/dbraw/zinc/22/83/00/171228300.db2.gz PGAJQYZVBSVWAZ-HNNXBMFYSA-N 2 2 257.381 3.241 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134376 196204568 /nfs/dbraw/zinc/20/45/68/196204568.db2.gz SMVNHVVREXVFCU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134376 196204570 /nfs/dbraw/zinc/20/45/70/196204570.db2.gz SMVNHVVREXVFCU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134376 196204571 /nfs/dbraw/zinc/20/45/71/196204571.db2.gz SMVNHVVREXVFCU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134376 196204572 /nfs/dbraw/zinc/20/45/72/196204572.db2.gz SMVNHVVREXVFCU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449075161 287271484 /nfs/dbraw/zinc/27/14/84/287271484.db2.gz DGCIAMVGBMUVRC-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449075161 287271485 /nfs/dbraw/zinc/27/14/85/287271485.db2.gz DGCIAMVGBMUVRC-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249472 173062172 /nfs/dbraw/zinc/06/21/72/173062172.db2.gz IZVDDVMNAHIMKW-MRXNPFEDSA-N 2 2 273.355 3.153 20 0 CGADLP CCC1CCC([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000038028300 174016752 /nfs/dbraw/zinc/01/67/52/174016752.db2.gz YLYQZVOSPMBHLC-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028594 174017000 /nfs/dbraw/zinc/01/70/00/174017000.db2.gz BJZMMFXKNKKFQZ-HOTGVXAUSA-N 2 2 290.451 3.177 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326190 175007527 /nfs/dbraw/zinc/00/75/27/175007527.db2.gz NZIAHGQEHIZXKB-HUUCEWRRSA-N 2 2 266.816 3.379 20 0 CGADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000128023916 287301546 /nfs/dbraw/zinc/30/15/46/287301546.db2.gz POKAXPRWOPPGEI-CQSZACIVSA-N 2 2 287.382 3.416 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000070148460 175874808 /nfs/dbraw/zinc/87/48/08/175874808.db2.gz JAXNJJFQFAAUBO-NSHDSACASA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1Cl ZINC000070148460 175874809 /nfs/dbraw/zinc/87/48/09/175874809.db2.gz JAXNJJFQFAAUBO-NSHDSACASA-N 2 2 270.779 3.182 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941018 176014847 /nfs/dbraw/zinc/01/48/47/176014847.db2.gz ATOJWTXWSDVCLJ-HNNXBMFYSA-N 2 2 273.424 3.234 20 0 CGADLP CCC[N@H+](Cc1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071314603 176120999 /nfs/dbraw/zinc/12/09/99/176120999.db2.gz RXPGCDWQEDMCFJ-AWEZNQCLSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@@H+](Cc1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071314603 176121000 /nfs/dbraw/zinc/12/10/00/176121000.db2.gz RXPGCDWQEDMCFJ-AWEZNQCLSA-N 2 2 258.365 3.007 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129222594 287327049 /nfs/dbraw/zinc/32/70/49/287327049.db2.gz LFHRYXRDXOJGAF-HOTGVXAUSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000063188673 416488065 /nfs/dbraw/zinc/48/80/65/416488065.db2.gz VQAFAKAXUYLSOE-JKSUJKDBSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000063188673 416488069 /nfs/dbraw/zinc/48/80/69/416488069.db2.gz VQAFAKAXUYLSOE-JKSUJKDBSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000679349693 543624133 /nfs/dbraw/zinc/62/41/33/543624133.db2.gz XDGHNJJGPSLJEW-IIDMSEBBSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000679349693 543624135 /nfs/dbraw/zinc/62/41/35/543624135.db2.gz XDGHNJJGPSLJEW-IIDMSEBBSA-N 2 2 272.436 3.171 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000679365042 543630258 /nfs/dbraw/zinc/63/02/58/543630258.db2.gz XMXIRHICEZWKBS-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000679365042 543630261 /nfs/dbraw/zinc/63/02/61/543630261.db2.gz XMXIRHICEZWKBS-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000679365042 543630262 /nfs/dbraw/zinc/63/02/62/543630262.db2.gz XMXIRHICEZWKBS-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000679365042 543630267 /nfs/dbraw/zinc/63/02/67/543630267.db2.gz XMXIRHICEZWKBS-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000130240409 287348533 /nfs/dbraw/zinc/34/85/33/287348533.db2.gz RHFCFIYXIDHRJT-BFYDXBDKSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000130240409 287348535 /nfs/dbraw/zinc/34/85/35/287348535.db2.gz RHFCFIYXIDHRJT-BFYDXBDKSA-N 2 2 272.436 3.395 20 0 CGADLP CC1CC[NH+]([C@H](C[NH2+]C2CSC2)c2ccccc2)CC1 ZINC000679840627 543664366 /nfs/dbraw/zinc/66/43/66/543664366.db2.gz LKHLWYUUUXWODS-QGZVFWFLSA-N 2 2 290.476 3.165 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)c[nH+]1 ZINC000679986033 543672668 /nfs/dbraw/zinc/67/26/68/543672668.db2.gz NZPWWTAXTBYJLX-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c[nH+]1 ZINC000679986033 543672670 /nfs/dbraw/zinc/67/26/70/543672670.db2.gz NZPWWTAXTBYJLX-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP CC(C)(CC(F)(F)F)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000681988952 543813721 /nfs/dbraw/zinc/81/37/21/543813721.db2.gz LZCFEIWGOQFPDH-UHFFFAOYSA-N 2 2 271.286 3.155 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069065 543820099 /nfs/dbraw/zinc/82/00/99/543820099.db2.gz JMPXBYHOTFQXHX-WBVHZDCISA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069065 543820101 /nfs/dbraw/zinc/82/01/01/543820101.db2.gz JMPXBYHOTFQXHX-WBVHZDCISA-N 2 2 258.409 3.136 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1C[NH+]1CCC2(CC2)CC1 ZINC000682085719 543825844 /nfs/dbraw/zinc/82/58/44/543825844.db2.gz MQLHZBGFISSMBV-UHFFFAOYSA-N 2 2 281.403 3.307 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)c1 ZINC000681674698 543801565 /nfs/dbraw/zinc/80/15/65/543801565.db2.gz OQORVIALKQYLGZ-GOSISDBHSA-N 2 2 293.414 3.200 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143441 543829624 /nfs/dbraw/zinc/82/96/24/543829624.db2.gz HOIPKFYZSPYDBK-ZDUSSCGKSA-N 2 2 266.454 3.143 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000682765469 543866066 /nfs/dbraw/zinc/86/60/66/543866066.db2.gz BPJYMDHZMTWNMD-HNNXBMFYSA-N 2 2 270.461 3.044 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000682765469 543866068 /nfs/dbraw/zinc/86/60/68/543866068.db2.gz BPJYMDHZMTWNMD-HNNXBMFYSA-N 2 2 270.461 3.044 20 0 CGADLP COc1ccc2[nH+]c(N3CCC[C@H]([NH+](C)C)CC3)ccc2c1 ZINC000683199247 543903460 /nfs/dbraw/zinc/90/34/60/543903460.db2.gz WLYLWUYDPYULQB-HNNXBMFYSA-N 2 2 299.418 3.164 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683435846 543913858 /nfs/dbraw/zinc/91/38/58/543913858.db2.gz AYDUDPLVZKNQFA-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683435846 543913860 /nfs/dbraw/zinc/91/38/60/543913860.db2.gz AYDUDPLVZKNQFA-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCc4occc43)[nH+]c12 ZINC000683690259 543932129 /nfs/dbraw/zinc/93/21/29/543932129.db2.gz FDJFIPDQJUUGTF-INIZCTEOSA-N 2 2 295.386 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000684361377 543984700 /nfs/dbraw/zinc/98/47/00/543984700.db2.gz CQSDVFGSAZVJCN-MAUKXSAKSA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000684361377 543984703 /nfs/dbraw/zinc/98/47/03/543984703.db2.gz CQSDVFGSAZVJCN-MAUKXSAKSA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([C@H]3CCOC3)CC2)c[nH+]1 ZINC000684395637 543992827 /nfs/dbraw/zinc/99/28/27/543992827.db2.gz XYPCVJYDSPDBRS-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449044 544072090 /nfs/dbraw/zinc/07/20/90/544072090.db2.gz SNDOXMKUWRYXBF-RBSFLKMASA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449044 544072092 /nfs/dbraw/zinc/07/20/92/544072092.db2.gz SNDOXMKUWRYXBF-RBSFLKMASA-N 2 2 252.446 3.227 20 0 CGADLP CCn1c[nH+]cc1C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000417931646 227218497 /nfs/dbraw/zinc/21/84/97/227218497.db2.gz PXDUYMSUUYMHDJ-AWEZNQCLSA-N 2 2 278.425 3.083 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000352834653 227310676 /nfs/dbraw/zinc/31/06/76/227310676.db2.gz VNJOCELABCOEND-WQGACYEGSA-N 2 2 278.465 3.060 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000352834653 227310681 /nfs/dbraw/zinc/31/06/81/227310681.db2.gz VNJOCELABCOEND-WQGACYEGSA-N 2 2 278.465 3.060 20 0 CGADLP CSc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659883148 419028237 /nfs/dbraw/zinc/02/82/37/419028237.db2.gz QCUSOKAARSSHPV-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659883148 419028238 /nfs/dbraw/zinc/02/82/38/419028238.db2.gz QCUSOKAARSSHPV-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000653547976 419045588 /nfs/dbraw/zinc/04/55/88/419045588.db2.gz HGDHZGWVRZPATH-OAHLLOKOSA-N 2 2 261.413 3.346 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CC1 ZINC000653547976 419045592 /nfs/dbraw/zinc/04/55/92/419045592.db2.gz HGDHZGWVRZPATH-OAHLLOKOSA-N 2 2 261.413 3.346 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664677528 418992618 /nfs/dbraw/zinc/99/26/18/418992618.db2.gz AMWGJCDGCULMHZ-OAHLLOKOSA-N 2 2 298.434 3.107 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664677528 418992622 /nfs/dbraw/zinc/99/26/22/418992622.db2.gz AMWGJCDGCULMHZ-OAHLLOKOSA-N 2 2 298.434 3.107 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833971 419013373 /nfs/dbraw/zinc/01/33/73/419013373.db2.gz VVSXNCOYWLBHTH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833971 419013375 /nfs/dbraw/zinc/01/33/75/419013375.db2.gz VVSXNCOYWLBHTH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833971 419013378 /nfs/dbraw/zinc/01/33/78/419013378.db2.gz VVSXNCOYWLBHTH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833971 419013381 /nfs/dbraw/zinc/01/33/81/419013381.db2.gz VVSXNCOYWLBHTH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP Clc1ccc2cccnc2c1C[NH2+]CCC[NH+]1CCC1 ZINC000655754508 419088325 /nfs/dbraw/zinc/08/83/25/419088325.db2.gz ZELNGOFYINQPPQ-UHFFFAOYSA-N 2 2 289.810 3.074 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660168531 419093378 /nfs/dbraw/zinc/09/33/78/419093378.db2.gz DJWDJLLLZBVPIR-LVQVYYBASA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660168531 419093383 /nfs/dbraw/zinc/09/33/83/419093383.db2.gz DJWDJLLLZBVPIR-LVQVYYBASA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254570 419093386 /nfs/dbraw/zinc/09/33/86/419093386.db2.gz UCWFAIYQJRQINF-VDNDLQMASA-N 2 2 276.399 3.049 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccoc1 ZINC000665253908 419094054 /nfs/dbraw/zinc/09/40/54/419094054.db2.gz CJNUSRQXLFDPAD-CSMYWGQOSA-N 2 2 288.366 3.215 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccoc1 ZINC000665257198 419094790 /nfs/dbraw/zinc/09/47/90/419094790.db2.gz CAUPHSJZQNEQDQ-JCURWCKSSA-N 2 2 288.366 3.215 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc2cc1C ZINC000665277394 419100062 /nfs/dbraw/zinc/10/00/62/419100062.db2.gz AJRDILUGXQSQHY-WRSVWVKZSA-N 2 2 284.403 3.452 20 0 CGADLP CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857354 419124844 /nfs/dbraw/zinc/12/48/44/419124844.db2.gz TXEKGCLTNNQDRB-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857354 419124847 /nfs/dbraw/zinc/12/48/47/419124847.db2.gz TXEKGCLTNNQDRB-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000665293891 419107475 /nfs/dbraw/zinc/10/74/75/419107475.db2.gz DWRFTKKSXLGBQU-IUCAKERBSA-N 2 2 261.196 3.252 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665290077 419107554 /nfs/dbraw/zinc/10/75/54/419107554.db2.gz IMOZTMPTSUKMML-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665290077 419107557 /nfs/dbraw/zinc/10/75/57/419107557.db2.gz IMOZTMPTSUKMML-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290077 419107561 /nfs/dbraw/zinc/10/75/61/419107561.db2.gz IMOZTMPTSUKMML-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290077 419107564 /nfs/dbraw/zinc/10/75/64/419107564.db2.gz IMOZTMPTSUKMML-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000665295880 419108881 /nfs/dbraw/zinc/10/88/81/419108881.db2.gz KXLQIMDJEBJUCU-VHSXEESVSA-N 2 2 266.772 3.345 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000665295339 419108927 /nfs/dbraw/zinc/10/89/27/419108927.db2.gz CFCWLWBPIHGDKL-SUMWQHHRSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000665296663 419110536 /nfs/dbraw/zinc/11/05/36/419110536.db2.gz WCAPZHVVBUQNMZ-QWHCGFSZSA-N 2 2 260.381 3.308 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000665298381 419111196 /nfs/dbraw/zinc/11/11/96/419111196.db2.gz VNDBRQFJHGPCBD-TZMCWYRMSA-N 2 2 264.438 3.038 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000665297640 419111210 /nfs/dbraw/zinc/11/12/10/419111210.db2.gz JCLJKEYACCSMLL-RYUDHWBXSA-N 2 2 260.356 3.237 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000655848776 419118569 /nfs/dbraw/zinc/11/85/69/419118569.db2.gz KFONUTXVNIODBG-IAOVAPTHSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000655848776 419118573 /nfs/dbraw/zinc/11/85/73/419118573.db2.gz KFONUTXVNIODBG-IAOVAPTHSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000655848576 419118829 /nfs/dbraw/zinc/11/88/29/419118829.db2.gz IDEMITUPUXPLKD-BPUTZDHNSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000655848576 419118831 /nfs/dbraw/zinc/11/88/31/419118831.db2.gz IDEMITUPUXPLKD-BPUTZDHNSA-N 2 2 250.430 3.172 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849020 419119866 /nfs/dbraw/zinc/11/98/66/419119866.db2.gz OPLLEGLLDGMRLY-ARFHVFGLSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849020 419119869 /nfs/dbraw/zinc/11/98/69/419119869.db2.gz OPLLEGLLDGMRLY-ARFHVFGLSA-N 2 2 262.441 3.316 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848791 419120225 /nfs/dbraw/zinc/12/02/25/419120225.db2.gz KVMWDRURYSLJEH-SSHXOBKSSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848791 419120229 /nfs/dbraw/zinc/12/02/29/419120229.db2.gz KVMWDRURYSLJEH-SSHXOBKSSA-N 2 2 250.430 3.028 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655850844 419121178 /nfs/dbraw/zinc/12/11/78/419121178.db2.gz ZGVAPNSHSNUCQC-WBAXXEDZSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655850844 419121181 /nfs/dbraw/zinc/12/11/81/419121181.db2.gz ZGVAPNSHSNUCQC-WBAXXEDZSA-N 2 2 288.435 3.363 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653590328 419055445 /nfs/dbraw/zinc/05/54/45/419055445.db2.gz YRNAPBLXWGWLTK-CYBMUJFWSA-N 2 2 261.413 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653590328 419055448 /nfs/dbraw/zinc/05/54/48/419055448.db2.gz YRNAPBLXWGWLTK-CYBMUJFWSA-N 2 2 261.413 3.036 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655679993 419062903 /nfs/dbraw/zinc/06/29/03/419062903.db2.gz GXRULHQQIKSRPL-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP CCCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655698539 419068195 /nfs/dbraw/zinc/06/81/95/419068195.db2.gz IUINWGUCAYLWLE-LEOMRAHMSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000653674427 419069187 /nfs/dbraw/zinc/06/91/87/419069187.db2.gz DBDYBRXNNPVZSF-GOEBONIOSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674427 419069191 /nfs/dbraw/zinc/06/91/91/419069191.db2.gz DBDYBRXNNPVZSF-GOEBONIOSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000655706228 419071211 /nfs/dbraw/zinc/07/12/11/419071211.db2.gz JFWNFRBZYQPWJR-ZFWWWQNUSA-N 2 2 287.432 3.246 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655856087 419123964 /nfs/dbraw/zinc/12/39/64/419123964.db2.gz JXMRSYKXINYQGU-JKSUJKDBSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655856087 419123967 /nfs/dbraw/zinc/12/39/67/419123967.db2.gz JXMRSYKXINYQGU-JKSUJKDBSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660115639 419080062 /nfs/dbraw/zinc/08/00/62/419080062.db2.gz YMVAMESYBPVSBQ-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660115639 419080065 /nfs/dbraw/zinc/08/00/65/419080065.db2.gz YMVAMESYBPVSBQ-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000656480644 419176632 /nfs/dbraw/zinc/17/66/32/419176632.db2.gz LPXHHMHYZWMWKO-KRWDZBQOSA-N 2 2 270.420 3.137 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000656480644 419176635 /nfs/dbraw/zinc/17/66/35/419176635.db2.gz LPXHHMHYZWMWKO-KRWDZBQOSA-N 2 2 270.420 3.137 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccsc1Cl)C2 ZINC000660665157 419178497 /nfs/dbraw/zinc/17/84/97/419178497.db2.gz UYVMZSCNELFAJT-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccsc1Cl)C2 ZINC000660665157 419178499 /nfs/dbraw/zinc/17/84/99/419178499.db2.gz UYVMZSCNELFAJT-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1Cl)C2 ZINC000660665157 419178500 /nfs/dbraw/zinc/17/85/00/419178500.db2.gz UYVMZSCNELFAJT-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1Cl)C2 ZINC000660665157 419178503 /nfs/dbraw/zinc/17/85/03/419178503.db2.gz UYVMZSCNELFAJT-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661268 419178832 /nfs/dbraw/zinc/17/88/32/419178832.db2.gz CACKPEQTXFJPPL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661268 419178833 /nfs/dbraw/zinc/17/88/33/419178833.db2.gz CACKPEQTXFJPPL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661268 419178836 /nfs/dbraw/zinc/17/88/36/419178836.db2.gz CACKPEQTXFJPPL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660661268 419178839 /nfs/dbraw/zinc/17/88/39/419178839.db2.gz CACKPEQTXFJPPL-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000666088754 419189263 /nfs/dbraw/zinc/18/92/63/419189263.db2.gz QBRJPRJGRLGCGJ-KGLIPLIRSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000666088754 419189266 /nfs/dbraw/zinc/18/92/66/419189266.db2.gz QBRJPRJGRLGCGJ-KGLIPLIRSA-N 2 2 290.838 3.024 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc21 ZINC000657395105 419268993 /nfs/dbraw/zinc/26/89/93/419268993.db2.gz ZSWMAJYCRONSIY-SCLBCKFNSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc21 ZINC000657395105 419268995 /nfs/dbraw/zinc/26/89/95/419268995.db2.gz ZSWMAJYCRONSIY-SCLBCKFNSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCc2ccc(C)cc2C)n1C ZINC000657294302 419245133 /nfs/dbraw/zinc/24/51/33/419245133.db2.gz MEJOAJZRIZWXHZ-UHFFFAOYSA-N 2 2 271.408 3.068 20 0 CGADLP CC(C)OCc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657297938 419245603 /nfs/dbraw/zinc/24/56/03/419245603.db2.gz JJMNWNAUHQOHDA-UHFFFAOYSA-N 2 2 299.418 3.044 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657313431 419248102 /nfs/dbraw/zinc/24/81/02/419248102.db2.gz QSZJLJAQALNAHX-AWEZNQCLSA-N 2 2 299.418 3.467 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)(C)c1ccccc1 ZINC000657344773 419255522 /nfs/dbraw/zinc/25/55/22/419255522.db2.gz COAOLILCFBVHIN-AWEZNQCLSA-N 2 2 283.419 3.285 20 0 CGADLP Cc1c[nH]c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)[nH+]1 ZINC000657344567 419255612 /nfs/dbraw/zinc/25/56/12/419255612.db2.gz CONCDEAZXITJPA-KRWDZBQOSA-N 2 2 298.434 3.035 20 0 CGADLP CCC1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657346340 419256506 /nfs/dbraw/zinc/25/65/06/419256506.db2.gz BOCIPNTYTAFFSS-UHFFFAOYSA-N 2 2 261.413 3.135 20 0 CGADLP CC[C@H]([NH2+]CC[C@H](C)[NH+](C)C)c1ccc(F)cc1F ZINC000656682487 419200826 /nfs/dbraw/zinc/20/08/26/419200826.db2.gz SLTQZRQYLHNSEW-NHYWBVRUSA-N 2 2 270.367 3.346 20 0 CGADLP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC(C)(C)[NH3+] ZINC000656782422 419218138 /nfs/dbraw/zinc/21/81/38/419218138.db2.gz GQEGPPWFTMIUOB-UHFFFAOYSA-N 2 2 292.757 3.111 20 0 CGADLP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC(C)(C)[NH3+] ZINC000656782422 419218140 /nfs/dbraw/zinc/21/81/40/419218140.db2.gz GQEGPPWFTMIUOB-UHFFFAOYSA-N 2 2 292.757 3.111 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CCCC1 ZINC000656788637 419220875 /nfs/dbraw/zinc/22/08/75/419220875.db2.gz VWPHIPFIGNUZHV-UHFFFAOYSA-N 2 2 288.366 3.447 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@H+](C[C@H]([NH3+])CC(C)C)C2)c1 ZINC000656791087 419221197 /nfs/dbraw/zinc/22/11/97/419221197.db2.gz DEKNOVYPUKCKPA-AEFFLSMTSA-N 2 2 290.451 3.032 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)c1 ZINC000656791087 419221201 /nfs/dbraw/zinc/22/12/01/419221201.db2.gz DEKNOVYPUKCKPA-AEFFLSMTSA-N 2 2 290.451 3.032 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212330 419240598 /nfs/dbraw/zinc/24/05/98/419240598.db2.gz AHAQSAROIYVDOB-UHFFFAOYSA-N 2 2 283.419 3.027 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661212330 419240600 /nfs/dbraw/zinc/24/06/00/419240600.db2.gz AHAQSAROIYVDOB-UHFFFAOYSA-N 2 2 283.419 3.027 20 0 CGADLP CCOc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(C)c1 ZINC000657417603 419273356 /nfs/dbraw/zinc/27/33/56/419273356.db2.gz QWVZGMQUJNVKRV-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC(C)(C)Oc1cc[nH+]cc1NCc1c[nH+]c2n1CCC2 ZINC000657417137 419273694 /nfs/dbraw/zinc/27/36/94/419273694.db2.gz UUWPDSNGVHNPFK-UHFFFAOYSA-N 2 2 286.379 3.014 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)n1C ZINC000657457000 419283547 /nfs/dbraw/zinc/28/35/47/419283547.db2.gz OFLMJSUKJAEDQF-INIZCTEOSA-N 2 2 273.355 3.035 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C2CCC2)C2CCCC2)n1C ZINC000657498444 419294632 /nfs/dbraw/zinc/29/46/32/419294632.db2.gz HGWJCKBRCOXJAT-INIZCTEOSA-N 2 2 261.413 3.177 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657523087 419297033 /nfs/dbraw/zinc/29/70/33/419297033.db2.gz DFOHAVFTZKZCQE-APHBUQMISA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657523087 419297036 /nfs/dbraw/zinc/29/70/36/419297036.db2.gz DFOHAVFTZKZCQE-APHBUQMISA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000657525620 419297897 /nfs/dbraw/zinc/29/78/97/419297897.db2.gz UIVWCOVUULAMNM-CQSZACIVSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000657525620 419297899 /nfs/dbraw/zinc/29/78/99/419297899.db2.gz UIVWCOVUULAMNM-CQSZACIVSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000657524859 419297946 /nfs/dbraw/zinc/29/79/46/419297946.db2.gz SQDWLCIYRIUSSM-IAGOWNOFSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000657524859 419297949 /nfs/dbraw/zinc/29/79/49/419297949.db2.gz SQDWLCIYRIUSSM-IAGOWNOFSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000657524483 419298086 /nfs/dbraw/zinc/29/80/86/419298086.db2.gz POKRYFUCSLISLJ-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000657524483 419298088 /nfs/dbraw/zinc/29/80/88/419298088.db2.gz POKRYFUCSLISLJ-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000657562005 419305178 /nfs/dbraw/zinc/30/51/78/419305178.db2.gz FFGBFXPNSAEEQA-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000657562005 419305180 /nfs/dbraw/zinc/30/51/80/419305180.db2.gz FFGBFXPNSAEEQA-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc21 ZINC000657395106 419269649 /nfs/dbraw/zinc/26/96/49/419269649.db2.gz ZSWMAJYCRONSIY-UGSOOPFHSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc21 ZINC000657395106 419269653 /nfs/dbraw/zinc/26/96/53/419269653.db2.gz ZSWMAJYCRONSIY-UGSOOPFHSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4ccc(O)cc43)n2c1 ZINC000657692762 419328411 /nfs/dbraw/zinc/32/84/11/419328411.db2.gz DADLYIBTEGWIME-QGZVFWFLSA-N 2 2 293.370 3.125 20 0 CGADLP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657762244 419340024 /nfs/dbraw/zinc/34/00/24/419340024.db2.gz YMIQTLLXWWOQSY-CYBMUJFWSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000657714389 419331462 /nfs/dbraw/zinc/33/14/62/419331462.db2.gz XRDLZQLSFDGWFN-PAYONLEZSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000657714389 419331464 /nfs/dbraw/zinc/33/14/64/419331464.db2.gz XRDLZQLSFDGWFN-PAYONLEZSA-N 2 2 270.420 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000657742659 419335371 /nfs/dbraw/zinc/33/53/71/419335371.db2.gz WZTQYWKQRGQZJD-XJKSGUPXSA-N 2 2 264.388 3.003 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000657742659 419335374 /nfs/dbraw/zinc/33/53/74/419335374.db2.gz WZTQYWKQRGQZJD-XJKSGUPXSA-N 2 2 264.388 3.003 20 0 CGADLP CC1(C)[C@H]([NH2+]CC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000184550611 287547277 /nfs/dbraw/zinc/54/72/77/287547277.db2.gz UZMWEUXXRVRCSB-IAGOWNOFSA-N 2 2 272.436 3.254 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCSc1cccc(Cl)c1 ZINC000662246437 419372096 /nfs/dbraw/zinc/37/20/96/419372096.db2.gz UHSNPHSEQHAAJE-ZDUSSCGKSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662246437 419372103 /nfs/dbraw/zinc/37/21/03/419372103.db2.gz UHSNPHSEQHAAJE-ZDUSSCGKSA-N 2 2 284.856 3.116 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCSc1ccccc1Cl ZINC000662303422 419386966 /nfs/dbraw/zinc/38/69/66/419386966.db2.gz DDMJFCALQRQNQZ-UHFFFAOYSA-N 2 2 296.867 3.245 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2CCCSc1ccccc1Cl ZINC000662303422 419386969 /nfs/dbraw/zinc/38/69/69/419386969.db2.gz DDMJFCALQRQNQZ-UHFFFAOYSA-N 2 2 296.867 3.245 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@H]1c1ccccc1 ZINC000657937895 419451118 /nfs/dbraw/zinc/45/11/18/419451118.db2.gz VTKRJGJSLZINHF-JKSUJKDBSA-N 2 2 294.389 3.109 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@H]1c1ccccc1 ZINC000657937895 419451124 /nfs/dbraw/zinc/45/11/24/419451124.db2.gz VTKRJGJSLZINHF-JKSUJKDBSA-N 2 2 294.389 3.109 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658058769 419532737 /nfs/dbraw/zinc/53/27/37/419532737.db2.gz TXQKUJYYIXUCCO-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658058769 419532742 /nfs/dbraw/zinc/53/27/42/419532742.db2.gz TXQKUJYYIXUCCO-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP Cc1cc2[nH+]cn(Cc3cccc4c3CC[NH2+]C4)c2cc1C ZINC000663378367 419583092 /nfs/dbraw/zinc/58/30/92/419583092.db2.gz CCLHEMFMFXAVOI-UHFFFAOYSA-N 2 2 291.398 3.347 20 0 CGADLP CC(C)[NH+]1CCC(N(C)c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663379678 419584471 /nfs/dbraw/zinc/58/44/71/419584471.db2.gz OLWFECVSMABVQS-UHFFFAOYSA-N 2 2 298.434 3.126 20 0 CGADLP CC(C)C[C@H](CNc1[nH+]ccc2c(N)cccc21)[NH+](C)C ZINC000663379928 419584577 /nfs/dbraw/zinc/58/45/77/419584577.db2.gz PEVHNUQJPUBLGA-CYBMUJFWSA-N 2 2 286.423 3.205 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000663508738 419642052 /nfs/dbraw/zinc/64/20/52/419642052.db2.gz UEHFMSMOJIZQJT-LLVKDONJSA-N 2 2 278.396 3.252 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000658286195 419735400 /nfs/dbraw/zinc/73/54/00/419735400.db2.gz QCGMRQCLUXITPH-DZJNRPSUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000658286195 419735405 /nfs/dbraw/zinc/73/54/05/419735405.db2.gz QCGMRQCLUXITPH-DZJNRPSUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000658288545 419738073 /nfs/dbraw/zinc/73/80/73/419738073.db2.gz VNPSOUWZKPQGLC-WMLDXEAASA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000658288545 419738080 /nfs/dbraw/zinc/73/80/80/419738080.db2.gz VNPSOUWZKPQGLC-WMLDXEAASA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293270 419741920 /nfs/dbraw/zinc/74/19/20/419741920.db2.gz LDJIFEBPUDAULP-MMFDQKDXSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293270 419741927 /nfs/dbraw/zinc/74/19/27/419741927.db2.gz LDJIFEBPUDAULP-MMFDQKDXSA-N 2 2 268.420 3.118 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000230998864 287642201 /nfs/dbraw/zinc/64/22/01/287642201.db2.gz VTAZFHRYVTUIGX-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685532 270037134 /nfs/dbraw/zinc/03/71/34/270037134.db2.gz PLBCLQGGRRNKHE-KBXCAEBGSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685532 270037136 /nfs/dbraw/zinc/03/71/36/270037136.db2.gz PLBCLQGGRRNKHE-KBXCAEBGSA-N 2 2 284.447 3.453 20 0 CGADLP CC(C)C1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000232551181 287645550 /nfs/dbraw/zinc/64/55/50/287645550.db2.gz KAXNRSZUPGTVIO-UHFFFAOYSA-N 2 2 273.424 3.075 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000186081890 270064767 /nfs/dbraw/zinc/06/47/67/270064767.db2.gz ZRFNYURRVSEPPX-MRXNPFEDSA-N 2 2 269.392 3.167 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000191824842 270076276 /nfs/dbraw/zinc/07/62/76/270076276.db2.gz LFFVFVFKLGDJEI-AWEZNQCLSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000219805429 270085847 /nfs/dbraw/zinc/08/58/47/270085847.db2.gz UIZTWCIJBTVKBS-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000219805429 270085848 /nfs/dbraw/zinc/08/58/48/270085848.db2.gz UIZTWCIJBTVKBS-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000222706084 270086155 /nfs/dbraw/zinc/08/61/55/270086155.db2.gz MYKQXODKDVRASX-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000222706084 270086156 /nfs/dbraw/zinc/08/61/56/270086156.db2.gz MYKQXODKDVRASX-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223012743 270086225 /nfs/dbraw/zinc/08/62/25/270086225.db2.gz KFJBUVFTVNETLW-ZDUSSCGKSA-N 2 2 268.832 3.202 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701999 270132510 /nfs/dbraw/zinc/13/25/10/270132510.db2.gz WQPOLBUKYCCSPY-ZCPGHIKRSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701999 270132511 /nfs/dbraw/zinc/13/25/11/270132511.db2.gz WQPOLBUKYCCSPY-ZCPGHIKRSA-N 2 2 262.441 3.028 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527752774 270134446 /nfs/dbraw/zinc/13/44/46/270134446.db2.gz PLJPGNOFZFMCID-BPQIPLTHSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527752774 270134447 /nfs/dbraw/zinc/13/44/47/270134447.db2.gz PLJPGNOFZFMCID-BPQIPLTHSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807074 270137238 /nfs/dbraw/zinc/13/72/38/270137238.db2.gz MBJZXCDEXWLBKO-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807074 270137239 /nfs/dbraw/zinc/13/72/39/270137239.db2.gz MBJZXCDEXWLBKO-QGZVFWFLSA-N 2 2 258.409 3.102 20 0 CGADLP C([NH2+]CC1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805152 270137441 /nfs/dbraw/zinc/13/74/41/270137441.db2.gz DDDZOYNJZGYCLZ-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+]CC1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805152 270137442 /nfs/dbraw/zinc/13/74/42/270137442.db2.gz DDDZOYNJZGYCLZ-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850724 270139672 /nfs/dbraw/zinc/13/96/72/270139672.db2.gz KLPHXFXAHDDROD-ABAIWWIYSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850724 270139673 /nfs/dbraw/zinc/13/96/73/270139673.db2.gz KLPHXFXAHDDROD-ABAIWWIYSA-N 2 2 282.790 3.150 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC000527949104 270146338 /nfs/dbraw/zinc/14/63/38/270146338.db2.gz NZKNUFUWADPGSB-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000527949104 270146339 /nfs/dbraw/zinc/14/63/39/270146339.db2.gz NZKNUFUWADPGSB-RDJZCZTQSA-N 2 2 294.483 3.331 20 0 CGADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954149 270146687 /nfs/dbraw/zinc/14/66/87/270146687.db2.gz YTVYZROEWWQBTA-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954149 270146688 /nfs/dbraw/zinc/14/66/88/270146688.db2.gz YTVYZROEWWQBTA-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527997739 270149315 /nfs/dbraw/zinc/14/93/15/270149315.db2.gz ASVNWWDVVGSGNB-IAGOWNOFSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527997739 270149316 /nfs/dbraw/zinc/14/93/16/270149316.db2.gz ASVNWWDVVGSGNB-IAGOWNOFSA-N 2 2 262.441 3.172 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528007087 270150895 /nfs/dbraw/zinc/15/08/95/270150895.db2.gz BGKYEXJIDSQFQS-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528007087 270150896 /nfs/dbraw/zinc/15/08/96/270150896.db2.gz BGKYEXJIDSQFQS-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528007085 270150945 /nfs/dbraw/zinc/15/09/45/270150945.db2.gz BGKYEXJIDSQFQS-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528007085 270150946 /nfs/dbraw/zinc/15/09/46/270150946.db2.gz BGKYEXJIDSQFQS-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C/C=C(/C)Cl)C1 ZINC000528375623 270162850 /nfs/dbraw/zinc/16/28/50/270162850.db2.gz CMSRQGBILIPXJH-MVXISAMASA-N 2 2 267.804 3.225 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528375623 270162851 /nfs/dbraw/zinc/16/28/51/270162851.db2.gz CMSRQGBILIPXJH-MVXISAMASA-N 2 2 267.804 3.225 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C/C=C(\C)Cl)C1 ZINC000528375627 270162857 /nfs/dbraw/zinc/16/28/57/270162857.db2.gz CMSRQGBILIPXJH-UWUHSAQLSA-N 2 2 267.804 3.225 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528375627 270162858 /nfs/dbraw/zinc/16/28/58/270162858.db2.gz CMSRQGBILIPXJH-UWUHSAQLSA-N 2 2 267.804 3.225 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCCC[C@H]1C ZINC000529536310 270183208 /nfs/dbraw/zinc/18/32/08/270183208.db2.gz YKGSZNSIQRGSTF-AGIUHOORSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCCC[C@H]1C ZINC000529536310 270183209 /nfs/dbraw/zinc/18/32/09/270183209.db2.gz YKGSZNSIQRGSTF-AGIUHOORSA-N 2 2 274.399 3.273 20 0 CGADLP c1coc(CC2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000529651840 270187278 /nfs/dbraw/zinc/18/72/78/270187278.db2.gz LZQWBRQCKVRAMN-UHFFFAOYSA-N 2 2 293.370 3.140 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(F)c1 ZINC000530225026 270196487 /nfs/dbraw/zinc/19/64/87/270196487.db2.gz WIPGDECGNYTMAZ-QMTHXVAHSA-N 2 2 282.790 3.414 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214234 270195605 /nfs/dbraw/zinc/19/56/05/270195605.db2.gz CNCNJGNGTCBAGS-HOTGVXAUSA-N 2 2 274.383 3.077 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216655 270195824 /nfs/dbraw/zinc/19/58/24/270195824.db2.gz CXNDWWHQMYCOMK-RHSMWYFYSA-N 2 2 288.435 3.409 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215695 270195906 /nfs/dbraw/zinc/19/59/06/270195906.db2.gz IBCOMQUGLBGMAC-IAGOWNOFSA-N 2 2 295.430 3.420 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530225266 270196612 /nfs/dbraw/zinc/19/66/12/270196612.db2.gz XLLZFMYZYJZTLJ-DGCLKSJQSA-N 2 2 250.411 3.073 20 0 CGADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684604 270208538 /nfs/dbraw/zinc/20/85/38/270208538.db2.gz KSLNLUBZNOOHEM-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000531932663 270210977 /nfs/dbraw/zinc/21/09/77/270210977.db2.gz RDJMBODKRPAESJ-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941237 270211133 /nfs/dbraw/zinc/21/11/33/270211133.db2.gz VJXGXPRDNZUTRB-PBHICJAKSA-N 2 2 274.452 3.066 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941237 270211134 /nfs/dbraw/zinc/21/11/34/270211134.db2.gz VJXGXPRDNZUTRB-PBHICJAKSA-N 2 2 274.452 3.066 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965583 270211803 /nfs/dbraw/zinc/21/18/03/270211803.db2.gz MXOMORVIIWJWNC-HUUCEWRRSA-N 2 2 261.413 3.442 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000531975722 270212001 /nfs/dbraw/zinc/21/20/01/270212001.db2.gz SKMTZVNXTWKUME-LZWOXQAQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000531975722 270212002 /nfs/dbraw/zinc/21/20/02/270212002.db2.gz SKMTZVNXTWKUME-LZWOXQAQSA-N 2 2 252.446 3.274 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983917 270212220 /nfs/dbraw/zinc/21/22/20/270212220.db2.gz MICGMNOPXNMIGG-HUUCEWRRSA-N 2 2 276.424 3.078 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983917 270212221 /nfs/dbraw/zinc/21/22/21/270212221.db2.gz MICGMNOPXNMIGG-HUUCEWRRSA-N 2 2 276.424 3.078 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531991936 270212519 /nfs/dbraw/zinc/21/25/19/270212519.db2.gz AGSDPAHKBXSFHL-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531991936 270212520 /nfs/dbraw/zinc/21/25/20/270212520.db2.gz AGSDPAHKBXSFHL-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000532207739 270214158 /nfs/dbraw/zinc/21/41/58/270214158.db2.gz SQYNCCQUUKFBHN-FXUDXRNXSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000532207739 270214159 /nfs/dbraw/zinc/21/41/59/270214159.db2.gz SQYNCCQUUKFBHN-FXUDXRNXSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CCC[NH2+]1 ZINC000423050839 273752905 /nfs/dbraw/zinc/75/29/05/273752905.db2.gz MQXXSRRVPMIRGG-IHRRRGAJSA-N 2 2 264.438 3.246 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414291133 274251405 /nfs/dbraw/zinc/25/14/05/274251405.db2.gz XLTZKCNGUOUISK-KCYZZUKISA-N 2 2 299.418 3.336 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000422909216 274262951 /nfs/dbraw/zinc/26/29/51/274262951.db2.gz FIVAKQOOXTUFSE-HONMWMINSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)[C@@H](C)C[N@@H+]1C ZINC000342536328 274366199 /nfs/dbraw/zinc/36/61/99/274366199.db2.gz IMLOYAIKYNFWDO-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)[C@@H](C)C[N@H+]1C ZINC000342536328 274366201 /nfs/dbraw/zinc/36/62/01/274366201.db2.gz IMLOYAIKYNFWDO-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414956198 274392326 /nfs/dbraw/zinc/39/23/26/274392326.db2.gz UZLNJEJVXRJCBU-ZJUUUORDSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccsc2S1 ZINC000423310985 274624320 /nfs/dbraw/zinc/62/43/20/274624320.db2.gz BBXAWIYGYPOSIA-UWJYBYFXSA-N 2 2 268.451 3.000 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000359585400 275063573 /nfs/dbraw/zinc/06/35/73/275063573.db2.gz BLOOTSIQSTXNTG-HNNXBMFYSA-N 2 2 295.430 3.394 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336478551 275560407 /nfs/dbraw/zinc/56/04/07/275560407.db2.gz DMWSJOPRIKDMJC-YMAMQOFZSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)CCC[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000338433878 275561974 /nfs/dbraw/zinc/56/19/74/275561974.db2.gz DGDCVMTZTPSMGD-KRWDZBQOSA-N 2 2 262.441 3.185 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449058930 276174125 /nfs/dbraw/zinc/17/41/25/276174125.db2.gz MXJLCTOHSMFDIT-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449058930 276174126 /nfs/dbraw/zinc/17/41/26/276174126.db2.gz MXJLCTOHSMFDIT-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)c(O)c(C)c1 ZINC000283842690 276234304 /nfs/dbraw/zinc/23/43/04/276234304.db2.gz DBRRRNOIQDZCOT-SJORKVTESA-N 2 2 288.435 3.068 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)c(O)c(C)c1 ZINC000283842690 276234306 /nfs/dbraw/zinc/23/43/06/276234306.db2.gz DBRRRNOIQDZCOT-SJORKVTESA-N 2 2 288.435 3.068 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(O)c(C)c1 ZINC000283842690 276234307 /nfs/dbraw/zinc/23/43/07/276234307.db2.gz DBRRRNOIQDZCOT-SJORKVTESA-N 2 2 288.435 3.068 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)c(O)c(C)c1 ZINC000283842690 276234309 /nfs/dbraw/zinc/23/43/09/276234309.db2.gz DBRRRNOIQDZCOT-SJORKVTESA-N 2 2 288.435 3.068 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)C1 ZINC000358016590 276252601 /nfs/dbraw/zinc/25/26/01/276252601.db2.gz GKASUNMQJDYGDO-TUKIKUTGSA-N 2 2 294.826 3.093 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)C1 ZINC000358016590 276252602 /nfs/dbraw/zinc/25/26/02/276252602.db2.gz GKASUNMQJDYGDO-TUKIKUTGSA-N 2 2 294.826 3.093 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C)cc1 ZINC000427856226 276534996 /nfs/dbraw/zinc/53/49/96/276534996.db2.gz VNKBDWUVTQVDRR-JKSUJKDBSA-N 2 2 269.392 3.247 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043627 277083946 /nfs/dbraw/zinc/08/39/46/277083946.db2.gz RKMWJKWFUZEFSG-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043627 277083947 /nfs/dbraw/zinc/08/39/47/277083947.db2.gz RKMWJKWFUZEFSG-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043627 277083948 /nfs/dbraw/zinc/08/39/48/277083948.db2.gz RKMWJKWFUZEFSG-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)CC[C@@H]21 ZINC000092043627 277083949 /nfs/dbraw/zinc/08/39/49/277083949.db2.gz RKMWJKWFUZEFSG-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486328 277177143 /nfs/dbraw/zinc/17/71/43/277177143.db2.gz SNMIRMRRGKROBR-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486328 277177144 /nfs/dbraw/zinc/17/71/44/277177144.db2.gz SNMIRMRRGKROBR-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486328 277177145 /nfs/dbraw/zinc/17/71/45/277177145.db2.gz SNMIRMRRGKROBR-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486328 277177146 /nfs/dbraw/zinc/17/71/46/277177146.db2.gz SNMIRMRRGKROBR-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000053201358 277300241 /nfs/dbraw/zinc/30/02/41/277300241.db2.gz BPMZERMWBUNUDH-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000053201358 277300242 /nfs/dbraw/zinc/30/02/42/277300242.db2.gz BPMZERMWBUNUDH-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccccc1Cl ZINC000358165687 278172658 /nfs/dbraw/zinc/17/26/58/278172658.db2.gz KIPMEAMNAYOJIW-ZIAGYGMSSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCC(C)CC1 ZINC000353246373 278210669 /nfs/dbraw/zinc/21/06/69/278210669.db2.gz FHXCFNQCDGEULE-CVEARBPZSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000397670327 288026950 /nfs/dbraw/zinc/02/69/50/288026950.db2.gz NLIYDOWDRCXEND-SOVHRIKKSA-N 2 2 270.420 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000397670327 288026951 /nfs/dbraw/zinc/02/69/51/288026951.db2.gz NLIYDOWDRCXEND-SOVHRIKKSA-N 2 2 270.420 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414182609 278284446 /nfs/dbraw/zinc/28/44/46/278284446.db2.gz LUWUFRXVJBYHBK-WQGACYEGSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414182609 278284448 /nfs/dbraw/zinc/28/44/48/278284448.db2.gz LUWUFRXVJBYHBK-WQGACYEGSA-N 2 2 278.827 3.473 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368090198 278301716 /nfs/dbraw/zinc/30/17/16/278301716.db2.gz PYJMBIUQTHEWKF-JXQTWKCFSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368090198 278301719 /nfs/dbraw/zinc/30/17/19/278301719.db2.gz PYJMBIUQTHEWKF-JXQTWKCFSA-N 2 2 275.440 3.462 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259282 278305263 /nfs/dbraw/zinc/30/52/63/278305263.db2.gz YBUWGXQGHFMMOP-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259282 278305265 /nfs/dbraw/zinc/30/52/65/278305265.db2.gz YBUWGXQGHFMMOP-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)(C)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000041120186 278327140 /nfs/dbraw/zinc/32/71/40/278327140.db2.gz SIZWUKXLPLSZBB-MRXNPFEDSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463246535 278348666 /nfs/dbraw/zinc/34/86/66/278348666.db2.gz IYKPGUSFQDFPIZ-QWHCGFSZSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc2cccc(F)c2o1)[C@H]1CCC[NH2+]1 ZINC000423073463 278364174 /nfs/dbraw/zinc/36/41/74/278364174.db2.gz RMZCLWLRDURNFT-UHIISALHSA-N 2 2 276.355 3.363 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000422844268 278386220 /nfs/dbraw/zinc/38/62/20/278386220.db2.gz LJFAHCGHNKCASM-DFBGVHRSSA-N 2 2 294.439 3.483 20 0 CGADLP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000287677699 278390478 /nfs/dbraw/zinc/39/04/78/278390478.db2.gz JFAMSFDSLFOJFX-IUODEOHRSA-N 2 2 295.390 3.061 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccc1OC(F)F ZINC000423448873 288060047 /nfs/dbraw/zinc/06/00/47/288060047.db2.gz QQFYPYNXBTVMTD-NHCYSSNCSA-N 2 2 272.339 3.064 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000449195685 288091753 /nfs/dbraw/zinc/09/17/53/288091753.db2.gz RHANLKNAFJUPED-KCXAZCMYSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000449195685 288091754 /nfs/dbraw/zinc/09/17/54/288091754.db2.gz RHANLKNAFJUPED-KCXAZCMYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000358014107 288092207 /nfs/dbraw/zinc/09/22/07/288092207.db2.gz BNEAGLMKWMAHEM-XYPHTWIQSA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000358014107 288092208 /nfs/dbraw/zinc/09/22/08/288092208.db2.gz BNEAGLMKWMAHEM-XYPHTWIQSA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000354834967 279012449 /nfs/dbraw/zinc/01/24/49/279012449.db2.gz WLWRAWOMJNRAAM-OLZOCXBDSA-N 2 2 273.355 3.030 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000354834967 279012451 /nfs/dbraw/zinc/01/24/51/279012451.db2.gz WLWRAWOMJNRAAM-OLZOCXBDSA-N 2 2 273.355 3.030 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459514945 288095428 /nfs/dbraw/zinc/09/54/28/288095428.db2.gz DAACQUXCXTUJGD-ZIAGYGMSSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459514945 288095429 /nfs/dbraw/zinc/09/54/29/288095429.db2.gz DAACQUXCXTUJGD-ZIAGYGMSSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423258053 279142876 /nfs/dbraw/zinc/14/28/76/279142876.db2.gz AVCLTTBVZVJHBC-OCCSQVGLSA-N 2 2 282.428 3.326 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)C1CC1 ZINC000229552764 279206611 /nfs/dbraw/zinc/20/66/11/279206611.db2.gz YNGNJFVRMDMWJO-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)C1CC1 ZINC000229552764 279206612 /nfs/dbraw/zinc/20/66/12/279206612.db2.gz YNGNJFVRMDMWJO-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281875124 279303738 /nfs/dbraw/zinc/30/37/38/279303738.db2.gz FQABKDKIZUWCMN-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000482095754 279360022 /nfs/dbraw/zinc/36/00/22/279360022.db2.gz FDWGNNZIGODYRP-OAHLLOKOSA-N 2 2 262.441 3.283 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000482095754 279360024 /nfs/dbraw/zinc/36/00/24/279360024.db2.gz FDWGNNZIGODYRP-OAHLLOKOSA-N 2 2 262.441 3.283 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339016 288132014 /nfs/dbraw/zinc/13/20/14/288132014.db2.gz FHJMKUWLGHBEGJ-CZUORRHYSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339016 288132015 /nfs/dbraw/zinc/13/20/15/288132015.db2.gz FHJMKUWLGHBEGJ-CZUORRHYSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H](C[NH2+]Cc1c(F)ccc(F)c1Cl)Cn1cc[nH+]c1 ZINC000527647803 288181285 /nfs/dbraw/zinc/18/12/85/288181285.db2.gz AZDKATOTIDNYQA-SNVBAGLBSA-N 2 2 299.752 3.241 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000453406824 280009170 /nfs/dbraw/zinc/00/91/70/280009170.db2.gz UKZMEENQMIDLRA-ZFWWWQNUSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000453406824 280009172 /nfs/dbraw/zinc/00/91/72/280009172.db2.gz UKZMEENQMIDLRA-ZFWWWQNUSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000354834970 280022607 /nfs/dbraw/zinc/02/26/07/280022607.db2.gz WLWRAWOMJNRAAM-STQMWFEESA-N 2 2 273.355 3.030 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000354834970 280022609 /nfs/dbraw/zinc/02/26/09/280022609.db2.gz WLWRAWOMJNRAAM-STQMWFEESA-N 2 2 273.355 3.030 20 0 CGADLP Cc1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527725620 288193104 /nfs/dbraw/zinc/19/31/04/288193104.db2.gz LADITVGYIKDDPB-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527725620 288193108 /nfs/dbraw/zinc/19/31/08/288193108.db2.gz LADITVGYIKDDPB-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC[C@@H]2CC=CCC2)[nH+]1 ZINC000527792205 288195613 /nfs/dbraw/zinc/19/56/13/288195613.db2.gz ZLYIMTZLUOPEFP-CQSZACIVSA-N 2 2 255.365 3.170 20 0 CGADLP Cc1c[nH+]ccc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000528521011 288206449 /nfs/dbraw/zinc/20/64/49/288206449.db2.gz YSTZZTIODMLUFB-NEPJUHHUSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CC1)CCC2 ZINC000417357471 281091047 /nfs/dbraw/zinc/09/10/47/281091047.db2.gz RLPCPDJZHIVART-INIZCTEOSA-N 2 2 258.409 3.056 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423372567 281116384 /nfs/dbraw/zinc/11/63/84/281116384.db2.gz RCYNMCCPHDHTGQ-KCXAZCMYSA-N 2 2 294.389 3.189 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177299 288294775 /nfs/dbraw/zinc/29/47/75/288294775.db2.gz FNEHXPLXCDFROI-KRWDZBQOSA-N 2 2 288.435 3.240 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000157527055 281227928 /nfs/dbraw/zinc/22/79/28/281227928.db2.gz YLPDBHSKWVBJJJ-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000157527055 281227931 /nfs/dbraw/zinc/22/79/31/281227931.db2.gz YLPDBHSKWVBJJJ-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986932 281228664 /nfs/dbraw/zinc/22/86/64/281228664.db2.gz ZZPCRWWXMDVGLW-MHORFTMASA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986932 281228665 /nfs/dbraw/zinc/22/86/65/281228665.db2.gz ZZPCRWWXMDVGLW-MHORFTMASA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000356986932 281228666 /nfs/dbraw/zinc/22/86/66/281228666.db2.gz ZZPCRWWXMDVGLW-MHORFTMASA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@H]1C[C@@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCO1 ZINC000356986932 281228668 /nfs/dbraw/zinc/22/86/68/281228668.db2.gz ZZPCRWWXMDVGLW-MHORFTMASA-N 2 2 294.483 3.139 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877553 281305607 /nfs/dbraw/zinc/30/56/07/281305607.db2.gz XYEXFUGYBMHPAL-IIAWOOMASA-N 2 2 281.403 3.344 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)CCC2 ZINC000346548822 281552137 /nfs/dbraw/zinc/55/21/37/281552137.db2.gz CMXBQYGSXQZGCU-DARAHFNDSA-N 2 2 275.440 3.483 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000531703367 288341087 /nfs/dbraw/zinc/34/10/87/288341087.db2.gz OPDZXEONOOTOMS-WMZOPIPTSA-N 2 2 270.420 3.354 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531703367 288341090 /nfs/dbraw/zinc/34/10/90/288341090.db2.gz OPDZXEONOOTOMS-WMZOPIPTSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194563 288354609 /nfs/dbraw/zinc/35/46/09/288354609.db2.gz GETDWRQOWVNRHW-RHSMWYFYSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194563 288354610 /nfs/dbraw/zinc/35/46/10/288354610.db2.gz GETDWRQOWVNRHW-RHSMWYFYSA-N 2 2 284.403 3.376 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000417359373 282046084 /nfs/dbraw/zinc/04/60/84/282046084.db2.gz VSBKCNFPKVPHEH-MRXNPFEDSA-N 2 2 292.854 3.345 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C(C)C)CC1 ZINC000280285583 282077681 /nfs/dbraw/zinc/07/76/81/282077681.db2.gz SXRHYKPCNHQQIP-UHFFFAOYSA-N 2 2 257.381 3.390 20 0 CGADLP CCc1c[nH+]ccc1[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000345823496 288606930 /nfs/dbraw/zinc/60/69/30/288606930.db2.gz JIMFKOOMUBCAHW-AWEZNQCLSA-N 2 2 276.424 3.106 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547979756 288983675 /nfs/dbraw/zinc/98/36/75/288983675.db2.gz BQPZFOCBAWBICK-XHDPSFHLSA-N 2 2 287.794 3.128 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000553338159 289220402 /nfs/dbraw/zinc/22/04/02/289220402.db2.gz YYGWXIMQXWNSCS-GXTWGEPZSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000553338159 289220403 /nfs/dbraw/zinc/22/04/03/289220403.db2.gz YYGWXIMQXWNSCS-GXTWGEPZSA-N 2 2 282.378 3.490 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554088489 289256744 /nfs/dbraw/zinc/25/67/44/289256744.db2.gz LJFHYWFOSAXEPG-RDJZCZTQSA-N 2 2 262.441 3.328 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC000556586440 289399275 /nfs/dbraw/zinc/39/92/75/289399275.db2.gz UIYFUQBDIMMQNO-CVEARBPZSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000423187037 290046248 /nfs/dbraw/zinc/04/62/48/290046248.db2.gz KTTUQQNGCXMJKG-QWRGUYRKSA-N 2 2 272.314 3.108 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729279 290158598 /nfs/dbraw/zinc/15/85/98/290158598.db2.gz FOMPXKKMFAREBY-DOMZBBRYSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729279 290158601 /nfs/dbraw/zinc/15/86/01/290158601.db2.gz FOMPXKKMFAREBY-DOMZBBRYSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729279 290158602 /nfs/dbraw/zinc/15/86/02/290158602.db2.gz FOMPXKKMFAREBY-DOMZBBRYSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729279 290158605 /nfs/dbraw/zinc/15/86/05/290158605.db2.gz FOMPXKKMFAREBY-DOMZBBRYSA-N 2 2 298.352 3.231 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346611394 294320106 /nfs/dbraw/zinc/32/01/06/294320106.db2.gz ZAPPWLNDSHHLOW-JFIYKMOQSA-N 2 2 292.467 3.156 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346611394 294320108 /nfs/dbraw/zinc/32/01/08/294320108.db2.gz ZAPPWLNDSHHLOW-JFIYKMOQSA-N 2 2 292.467 3.156 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000422959903 295343182 /nfs/dbraw/zinc/34/31/82/295343182.db2.gz AIJGILXUDBEUIG-BBWFWOEESA-N 2 2 298.361 3.384 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218666 300237046 /nfs/dbraw/zinc/23/70/46/300237046.db2.gz YCBIBLOBCGWMGM-ORIJERBGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218666 300237050 /nfs/dbraw/zinc/23/70/50/300237050.db2.gz YCBIBLOBCGWMGM-ORIJERBGSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423214438 302199900 /nfs/dbraw/zinc/19/99/00/302199900.db2.gz MNRDBOQSKKQTNX-NVXWUHKLSA-N 2 2 258.409 3.178 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423377341 302562007 /nfs/dbraw/zinc/56/20/07/302562007.db2.gz YQIOVLRBKRURSN-GMXVVIOVSA-N 2 2 295.496 3.398 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222015730 303132278 /nfs/dbraw/zinc/13/22/78/303132278.db2.gz SLPBKZWZGFTYKD-ULQDDVLXSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222015730 303132280 /nfs/dbraw/zinc/13/22/80/303132280.db2.gz SLPBKZWZGFTYKD-ULQDDVLXSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000422873492 303136815 /nfs/dbraw/zinc/13/68/15/303136815.db2.gz LGFVMPXUJTWHPZ-CZUORRHYSA-N 2 2 262.372 3.009 20 0 CGADLP COc1ccc([C@H](C[NH2+][C@@H](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000156641426 321784279 /nfs/dbraw/zinc/78/42/79/321784279.db2.gz IVGDPSBRKHOHKQ-YJBOKZPZSA-N 2 2 290.451 3.466 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CC1)CCC2 ZINC000563134566 321979456 /nfs/dbraw/zinc/97/94/56/321979456.db2.gz GMTWLZTTYCEMBM-MRXNPFEDSA-N 2 2 290.476 3.470 20 0 CGADLP COc1cc(C)[nH+]c(COc2cc(C)[nH+]c(C)c2C)c1 ZINC000563417560 321996223 /nfs/dbraw/zinc/99/62/23/321996223.db2.gz PEVZHOYOKYURHT-UHFFFAOYSA-N 2 2 272.348 3.298 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n1C ZINC000563440406 321998402 /nfs/dbraw/zinc/99/84/02/321998402.db2.gz LAWXBWUSZVTLLC-DLBZAZTESA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564098050 322020538 /nfs/dbraw/zinc/02/05/38/322020538.db2.gz FNQXITASPZDPGS-OWCLPIDISA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564098050 322020541 /nfs/dbraw/zinc/02/05/41/322020541.db2.gz FNQXITASPZDPGS-OWCLPIDISA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564098050 322020543 /nfs/dbraw/zinc/02/05/43/322020543.db2.gz FNQXITASPZDPGS-OWCLPIDISA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000564098050 322020545 /nfs/dbraw/zinc/02/05/45/322020545.db2.gz FNQXITASPZDPGS-OWCLPIDISA-N 2 2 258.409 3.225 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000564741094 322041510 /nfs/dbraw/zinc/04/15/10/322041510.db2.gz GFWKNBJVNHOWIB-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000564741094 322041513 /nfs/dbraw/zinc/04/15/13/322041513.db2.gz GFWKNBJVNHOWIB-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000564969046 322051833 /nfs/dbraw/zinc/05/18/33/322051833.db2.gz PGTBMUARVXWGGQ-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000564969046 322051834 /nfs/dbraw/zinc/05/18/34/322051834.db2.gz PGTBMUARVXWGGQ-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000566384729 322119826 /nfs/dbraw/zinc/11/98/26/322119826.db2.gz ZVNVNOLSDUDIRV-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000566384729 322119827 /nfs/dbraw/zinc/11/98/27/322119827.db2.gz ZVNVNOLSDUDIRV-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384729 322119829 /nfs/dbraw/zinc/11/98/29/322119829.db2.gz ZVNVNOLSDUDIRV-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384729 322119831 /nfs/dbraw/zinc/11/98/31/322119831.db2.gz ZVNVNOLSDUDIRV-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000566625046 322132202 /nfs/dbraw/zinc/13/22/02/322132202.db2.gz TUEIMRSLTYDDPH-LLVKDONJSA-N 2 2 263.410 3.458 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000567141238 322152009 /nfs/dbraw/zinc/15/20/09/322152009.db2.gz AXQQDGRLMHSHQK-KRWDZBQOSA-N 2 2 269.392 3.094 20 0 CGADLP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000567375298 322161159 /nfs/dbraw/zinc/16/11/59/322161159.db2.gz NYLHKZXQEOJCNP-BZNIZROVSA-N 2 2 290.407 3.174 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C(C)(C)C ZINC000567811209 322178712 /nfs/dbraw/zinc/17/87/12/322178712.db2.gz XMAHNEUVWNMSDZ-UHFFFAOYSA-N 2 2 257.381 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C(C)(C)C ZINC000567811209 322178713 /nfs/dbraw/zinc/17/87/13/322178713.db2.gz XMAHNEUVWNMSDZ-UHFFFAOYSA-N 2 2 257.381 3.411 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c[nH+]c(C)n1C ZINC000567916190 322182888 /nfs/dbraw/zinc/18/28/88/322182888.db2.gz MMKBLKQYEHHMKF-OAHLLOKOSA-N 2 2 287.407 3.433 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccccc12 ZINC000568768109 322222123 /nfs/dbraw/zinc/22/21/23/322222123.db2.gz GLMLMHSLCMXRLP-UONOGXRCSA-N 2 2 287.407 3.228 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)n1C ZINC000569260700 322241614 /nfs/dbraw/zinc/24/16/14/322241614.db2.gz ULYDUASLYIWIAP-INIZCTEOSA-N 2 2 293.361 3.494 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nsc2C)CC1 ZINC000569468536 322248180 /nfs/dbraw/zinc/24/81/80/322248180.db2.gz FSXVSPHPZRAEPR-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nsc2C)CC1 ZINC000569468536 322248182 /nfs/dbraw/zinc/24/81/82/322248182.db2.gz FSXVSPHPZRAEPR-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP CC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000570342315 322271261 /nfs/dbraw/zinc/27/12/61/322271261.db2.gz GCAOJVMPYZGMOC-MRXNPFEDSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571654354 322304626 /nfs/dbraw/zinc/30/46/26/322304626.db2.gz OXSQPCNAHZWVLS-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571654354 322304627 /nfs/dbraw/zinc/30/46/27/322304627.db2.gz OXSQPCNAHZWVLS-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571654354 322304629 /nfs/dbraw/zinc/30/46/29/322304629.db2.gz OXSQPCNAHZWVLS-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571654354 322304631 /nfs/dbraw/zinc/30/46/31/322304631.db2.gz OXSQPCNAHZWVLS-UHOFOFEASA-N 2 2 262.372 3.055 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1C ZINC000571778624 322307795 /nfs/dbraw/zinc/30/77/95/322307795.db2.gz OWRBEIAJVXKRNK-APHBMKBZSA-N 2 2 263.429 3.279 20 0 CGADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000571970485 322314097 /nfs/dbraw/zinc/31/40/97/322314097.db2.gz GPQNNDPJJYMLFC-ZDUSSCGKSA-N 2 2 293.361 3.335 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056476 322317835 /nfs/dbraw/zinc/31/78/35/322317835.db2.gz ZZUOSVMTFODWPB-HOCLYGCPSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056476 322317837 /nfs/dbraw/zinc/31/78/37/322317837.db2.gz ZZUOSVMTFODWPB-HOCLYGCPSA-N 2 2 275.440 3.426 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000572832663 322356933 /nfs/dbraw/zinc/35/69/33/322356933.db2.gz WEGSHBBXSITWKM-LLVKDONJSA-N 2 2 256.340 3.004 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CCCOc2cc(F)cc(F)c21 ZINC000573197564 322375317 /nfs/dbraw/zinc/37/53/17/322375317.db2.gz JODBSASTOQSLBZ-AWEZNQCLSA-N 2 2 298.377 3.156 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+]CCc2cc[nH+]cc2C)cn1 ZINC000573603859 322396877 /nfs/dbraw/zinc/39/68/77/322396877.db2.gz VQMDFFCMBNEFOO-UHFFFAOYSA-N 2 2 269.392 3.161 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000573665475 322399534 /nfs/dbraw/zinc/39/95/34/322399534.db2.gz IRVQFGVPLGOWJG-VSVYTNTFSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000573665475 322399537 /nfs/dbraw/zinc/39/95/37/322399537.db2.gz IRVQFGVPLGOWJG-VSVYTNTFSA-N 2 2 284.447 3.395 20 0 CGADLP CCc1cc(OCC[C@H]2CC[NH2+]C2)c2ccccc2[nH+]1 ZINC000575245376 322480284 /nfs/dbraw/zinc/48/02/84/322480284.db2.gz XPIAVLQOQRSYME-CYBMUJFWSA-N 2 2 270.376 3.176 20 0 CGADLP CC[C@](C)([NH2+]CCc1cc[nH+]cc1C)c1nccs1 ZINC000575284167 322480445 /nfs/dbraw/zinc/48/04/45/322480445.db2.gz DNACATFYMMFJJL-HNNXBMFYSA-N 2 2 275.421 3.304 20 0 CGADLP CCCCOc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000576504599 335212342 /nfs/dbraw/zinc/21/23/42/335212342.db2.gz BFVIHNWKGFANDB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP CCCCOc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000576504599 335212343 /nfs/dbraw/zinc/21/23/43/335212343.db2.gz BFVIHNWKGFANDB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]C1 ZINC000576805416 335249560 /nfs/dbraw/zinc/24/95/60/335249560.db2.gz WSKAFUQBVXRQOU-FRRDWIJNSA-N 2 2 295.496 3.479 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000577529401 335365684 /nfs/dbraw/zinc/36/56/84/335365684.db2.gz STDLWDNZVSOVHO-UHFFFAOYSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000577529401 335365686 /nfs/dbraw/zinc/36/56/86/335365686.db2.gz STDLWDNZVSOVHO-UHFFFAOYSA-N 2 2 280.362 3.328 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccccc1 ZINC000177320613 335370339 /nfs/dbraw/zinc/37/03/39/335370339.db2.gz PQISBAGKOYSNPL-LJFWHQRKSA-N 2 2 270.420 3.258 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccccc1 ZINC000177320613 335370340 /nfs/dbraw/zinc/37/03/40/335370340.db2.gz PQISBAGKOYSNPL-LJFWHQRKSA-N 2 2 270.420 3.258 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1 ZINC000177320613 335370342 /nfs/dbraw/zinc/37/03/42/335370342.db2.gz PQISBAGKOYSNPL-LJFWHQRKSA-N 2 2 270.420 3.258 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1 ZINC000177320613 335370343 /nfs/dbraw/zinc/37/03/43/335370343.db2.gz PQISBAGKOYSNPL-LJFWHQRKSA-N 2 2 270.420 3.258 20 0 CGADLP c1cc2c(cccc2C[NH2+]CCCNc2cccc[nH+]2)[nH]1 ZINC000177590458 335375228 /nfs/dbraw/zinc/37/52/28/335375228.db2.gz QXPIKUPMBCWLTI-UHFFFAOYSA-N 2 2 280.375 3.155 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000178413345 335430423 /nfs/dbraw/zinc/43/04/23/335430423.db2.gz SENIDYZCQBVPBW-INIZCTEOSA-N 2 2 282.378 3.491 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(N2CCCC2)c1 ZINC000179677661 335507426 /nfs/dbraw/zinc/50/74/26/335507426.db2.gz YGFBDUYTFAJNTN-INIZCTEOSA-N 2 2 298.434 3.224 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000578680221 335663150 /nfs/dbraw/zinc/66/31/50/335663150.db2.gz FOPHJFCNEKBIDV-QZTJIDSGSA-N 2 2 272.436 3.248 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)n1C ZINC000581440972 336078896 /nfs/dbraw/zinc/07/88/96/336078896.db2.gz XWKVKLOXIIYLAM-KRWDZBQOSA-N 2 2 287.382 3.417 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000382125555 336082155 /nfs/dbraw/zinc/08/21/55/336082155.db2.gz NOIKNOQORHANBR-KKUMJFAQSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000382125555 336082156 /nfs/dbraw/zinc/08/21/56/336082156.db2.gz NOIKNOQORHANBR-KKUMJFAQSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@@H](C[NH2+]CCCc1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000581766023 336144430 /nfs/dbraw/zinc/14/44/30/336144430.db2.gz OCFYJOMRUGXNFM-LBPRGKRZSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](C[NH2+]CCCc1c(F)cccc1Cl)[N@@H+](C)C1CC1 ZINC000581766023 336144431 /nfs/dbraw/zinc/14/44/31/336144431.db2.gz OCFYJOMRUGXNFM-LBPRGKRZSA-N 2 2 298.833 3.484 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)C1(C[NH3+])CCC1 ZINC000385524876 336150721 /nfs/dbraw/zinc/15/07/21/336150721.db2.gz TWLXSCNFKCHEHF-UHFFFAOYSA-N 2 2 260.406 3.215 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)C1(C[NH3+])CCC1 ZINC000385524876 336150723 /nfs/dbraw/zinc/15/07/23/336150723.db2.gz TWLXSCNFKCHEHF-UHFFFAOYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000386157465 336167171 /nfs/dbraw/zinc/16/71/71/336167171.db2.gz UCCZJNMXVPSLBD-GDBMZVCRSA-N 2 2 288.439 3.014 20 0 CGADLP COCC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386961633 336183192 /nfs/dbraw/zinc/18/31/92/336183192.db2.gz ZFJAUVORSAQNIO-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386961633 336183193 /nfs/dbraw/zinc/18/31/93/336183193.db2.gz ZFJAUVORSAQNIO-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]1 ZINC000423384794 533966474 /nfs/dbraw/zinc/96/64/74/533966474.db2.gz QNDYFDWWJIFWHR-MZMPZRCHSA-N 2 2 299.393 3.040 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000438846617 534205127 /nfs/dbraw/zinc/20/51/27/534205127.db2.gz BXAQQTWURIGKKX-NEPJUHHUSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000438846617 534205131 /nfs/dbraw/zinc/20/51/31/534205131.db2.gz BXAQQTWURIGKKX-NEPJUHHUSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000438846617 534205137 /nfs/dbraw/zinc/20/51/37/534205137.db2.gz BXAQQTWURIGKKX-NEPJUHHUSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000438846617 534205147 /nfs/dbraw/zinc/20/51/47/534205147.db2.gz BXAQQTWURIGKKX-NEPJUHHUSA-N 2 2 284.494 3.385 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000449150965 534259338 /nfs/dbraw/zinc/25/93/38/534259338.db2.gz UYNWAODHMYLLIG-HOTGVXAUSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000449150965 534259341 /nfs/dbraw/zinc/25/93/41/534259341.db2.gz UYNWAODHMYLLIG-HOTGVXAUSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000449105354 534259405 /nfs/dbraw/zinc/25/94/05/534259405.db2.gz YMQVUGRXZLMBHZ-ZDUSSCGKSA-N 2 2 283.375 3.309 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccncc1 ZINC000184535627 519794147 /nfs/dbraw/zinc/79/41/47/519794147.db2.gz XHQQLCLYQIFZNF-LJQANCHMSA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccncc1 ZINC000184535627 519794148 /nfs/dbraw/zinc/79/41/48/519794148.db2.gz XHQQLCLYQIFZNF-LJQANCHMSA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152099222 519813047 /nfs/dbraw/zinc/81/30/47/519813047.db2.gz RVEHQINXIGPMCM-AWEZNQCLSA-N 2 2 257.381 3.066 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccc2)nc1 ZINC000423549607 534493802 /nfs/dbraw/zinc/49/38/02/534493802.db2.gz HWAADQDPXPKADX-GOSISDBHSA-N 2 2 299.393 3.042 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]CC34CCC(CC3)C4)CC2)c1 ZINC000358360448 534508125 /nfs/dbraw/zinc/50/81/25/534508125.db2.gz ATQFMYJMVSLWFL-UHFFFAOYSA-N 2 2 299.462 3.216 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)CCCn3cc[nH+]c3)cc2c1 ZINC000411425683 534514093 /nfs/dbraw/zinc/51/40/93/534514093.db2.gz OORSHGPJQFOISM-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2c1 ZINC000411425683 534514098 /nfs/dbraw/zinc/51/40/98/534514098.db2.gz OORSHGPJQFOISM-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2F)CCCCC1 ZINC000414837935 534548856 /nfs/dbraw/zinc/54/88/56/534548856.db2.gz HMSKTZYMMZSZBX-UHFFFAOYSA-N 2 2 270.779 3.230 20 0 CGADLP CCC(CC)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153924573 521522652 /nfs/dbraw/zinc/52/26/52/521522652.db2.gz ZWUAOYPTHZCWEM-OAHLLOKOSA-N 2 2 263.429 3.111 20 0 CGADLP CCC(CC)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153924573 521522659 /nfs/dbraw/zinc/52/26/59/521522659.db2.gz ZWUAOYPTHZCWEM-OAHLLOKOSA-N 2 2 263.429 3.111 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095182 521714303 /nfs/dbraw/zinc/71/43/03/521714303.db2.gz ZCRHULPNDARQOY-IUODEOHRSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095182 521714306 /nfs/dbraw/zinc/71/43/06/521714306.db2.gz ZCRHULPNDARQOY-IUODEOHRSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095182 521714307 /nfs/dbraw/zinc/71/43/07/521714307.db2.gz ZCRHULPNDARQOY-IUODEOHRSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095182 521714308 /nfs/dbraw/zinc/71/43/08/521714308.db2.gz ZCRHULPNDARQOY-IUODEOHRSA-N 2 2 282.378 3.127 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000054627748 521956617 /nfs/dbraw/zinc/95/66/17/521956617.db2.gz SWKRUJFNXXPAAD-GOOCMWNKSA-N 2 2 264.800 3.055 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC000054627748 521956619 /nfs/dbraw/zinc/95/66/19/521956619.db2.gz SWKRUJFNXXPAAD-GOOCMWNKSA-N 2 2 264.800 3.055 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCCOc2ccccc21)[NH+]1CCCC1 ZINC000151697634 522199000 /nfs/dbraw/zinc/19/90/00/522199000.db2.gz NIFILXOGTHFMFK-NVXWUHKLSA-N 2 2 288.435 3.364 20 0 CGADLP C[N@H+](C/C=C/Cl)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000156986440 522404882 /nfs/dbraw/zinc/40/48/82/522404882.db2.gz GDXVWMOQMVTLSQ-FCSPHWINSA-N 2 2 277.239 3.278 20 0 CGADLP C[N@@H+](C/C=C/Cl)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000156986440 522404885 /nfs/dbraw/zinc/40/48/85/522404885.db2.gz GDXVWMOQMVTLSQ-FCSPHWINSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C/Cl)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000156986440 522404896 /nfs/dbraw/zinc/40/48/96/522404896.db2.gz GDXVWMOQMVTLSQ-FCSPHWINSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C/Cl)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000156986440 522404899 /nfs/dbraw/zinc/40/48/99/522404899.db2.gz GDXVWMOQMVTLSQ-FCSPHWINSA-N 2 2 277.239 3.278 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000184015473 522803431 /nfs/dbraw/zinc/80/34/31/522803431.db2.gz CTAFNUDDGZEOCU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000184015473 522803437 /nfs/dbraw/zinc/80/34/37/522803437.db2.gz CTAFNUDDGZEOCU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157053971 523175123 /nfs/dbraw/zinc/17/51/23/523175123.db2.gz LZFSCZUVMVNITP-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157053971 523175135 /nfs/dbraw/zinc/17/51/35/523175135.db2.gz LZFSCZUVMVNITP-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC000111297937 523198041 /nfs/dbraw/zinc/19/80/41/523198041.db2.gz PNJOVBVPMLYAAT-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC000111297937 523198045 /nfs/dbraw/zinc/19/80/45/523198045.db2.gz PNJOVBVPMLYAAT-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156328057 524101675 /nfs/dbraw/zinc/10/16/75/524101675.db2.gz GCKBPKGFSZUKRN-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156328057 524101678 /nfs/dbraw/zinc/10/16/78/524101678.db2.gz GCKBPKGFSZUKRN-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c(C)[nH+]1 ZINC000094664932 525271632 /nfs/dbraw/zinc/27/16/32/525271632.db2.gz UUTIYLMWMIFVLC-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000151350433 525534023 /nfs/dbraw/zinc/53/40/23/525534023.db2.gz MTRXIBJUTZOWCE-CQSZACIVSA-N 2 2 271.408 3.456 20 0 CGADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374901 534864300 /nfs/dbraw/zinc/86/43/00/534864300.db2.gz UBHBFDQTLQSSPK-VHSXEESVSA-N 2 2 293.411 3.255 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]CC[NH+]2CCCC2)s1 ZINC000149706725 526778686 /nfs/dbraw/zinc/77/86/86/526778686.db2.gz XQCKLQFVLLICJE-UHFFFAOYSA-N 2 2 266.454 3.231 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc21 ZINC000157435412 527419640 /nfs/dbraw/zinc/41/96/40/527419640.db2.gz UWWVZIRYOVEUFB-JKSUJKDBSA-N 2 2 274.314 3.199 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000157450589 527419735 /nfs/dbraw/zinc/41/97/35/527419735.db2.gz YKLDGUHJHGPHCQ-JKSUJKDBSA-N 2 2 274.314 3.199 20 0 CGADLP C(CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)CC1CCOCC1 ZINC000369198618 527479032 /nfs/dbraw/zinc/47/90/32/527479032.db2.gz PFVCMBQDHHVREH-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1)CC1CCOCC1 ZINC000369198618 527479035 /nfs/dbraw/zinc/47/90/35/527479035.db2.gz PFVCMBQDHHVREH-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427879870 527827164 /nfs/dbraw/zinc/82/71/64/527827164.db2.gz UTTMXQMFSVRBIW-ARFHVFGLSA-N 2 2 275.440 3.392 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000414350250 527886640 /nfs/dbraw/zinc/88/66/40/527886640.db2.gz UGRRYULFNQLHIG-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000414350250 527886643 /nfs/dbraw/zinc/88/66/43/527886643.db2.gz UGRRYULFNQLHIG-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000364379323 528105363 /nfs/dbraw/zinc/10/53/63/528105363.db2.gz XEIIBFRDYYQHOF-NVXWUHKLSA-N 2 2 296.418 3.349 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000358169691 528118008 /nfs/dbraw/zinc/11/80/08/528118008.db2.gz RIOSAPFAZRZRAO-NSCUHMNNSA-N 2 2 292.373 3.220 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000358169691 528118013 /nfs/dbraw/zinc/11/80/13/528118013.db2.gz RIOSAPFAZRZRAO-NSCUHMNNSA-N 2 2 292.373 3.220 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423391391 528422763 /nfs/dbraw/zinc/42/27/63/528422763.db2.gz PIRMROLZJGFQQA-CHWSQXEVSA-N 2 2 260.381 3.390 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000367307775 528460274 /nfs/dbraw/zinc/46/02/74/528460274.db2.gz LCYCHGMBHPZCPW-INIZCTEOSA-N 2 2 289.467 3.318 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423312319 528512296 /nfs/dbraw/zinc/51/22/96/528512296.db2.gz ROENJMAZBYVKFO-NSHDSACASA-N 2 2 290.329 3.235 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423315428 528515685 /nfs/dbraw/zinc/51/56/85/528515685.db2.gz XMAWKALWRSTCBZ-QWHCGFSZSA-N 2 2 291.464 3.378 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423257754 528519251 /nfs/dbraw/zinc/51/92/51/528519251.db2.gz AEACVEGLERIFID-ZYHUDNBSSA-N 2 2 286.341 3.054 20 0 CGADLP CCCc1csc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)n1 ZINC000426416435 528659800 /nfs/dbraw/zinc/65/98/00/528659800.db2.gz IPDQHTIMNXTNQB-DZGCQCFKSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)n1 ZINC000426416435 528659804 /nfs/dbraw/zinc/65/98/04/528659804.db2.gz IPDQHTIMNXTNQB-DZGCQCFKSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000426416435 528659808 /nfs/dbraw/zinc/65/98/08/528659808.db2.gz IPDQHTIMNXTNQB-DZGCQCFKSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000426416435 528659811 /nfs/dbraw/zinc/65/98/11/528659811.db2.gz IPDQHTIMNXTNQB-DZGCQCFKSA-N 2 2 295.496 3.258 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)oc21 ZINC000423470922 528699526 /nfs/dbraw/zinc/69/95/26/528699526.db2.gz PKYXNWWOCAFWTC-YPMHNXCESA-N 2 2 276.380 3.219 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(OCCC)c1 ZINC000423333363 528726579 /nfs/dbraw/zinc/72/65/79/528726579.db2.gz RMBLUIHPMPAMRF-KGLIPLIRSA-N 2 2 294.439 3.262 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423288315 528953293 /nfs/dbraw/zinc/95/32/93/528953293.db2.gz RRIXQUIDJCXLKN-SNVBAGLBSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424333956 529001423 /nfs/dbraw/zinc/00/14/23/529001423.db2.gz UZNKDTZBWYPSPW-DLBZAZTESA-N 2 2 276.399 3.086 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423252567 529010856 /nfs/dbraw/zinc/01/08/56/529010856.db2.gz XQMHGHPPLAMBEI-JKSUJKDBSA-N 2 2 269.392 3.212 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000427604865 529092630 /nfs/dbraw/zinc/09/26/30/529092630.db2.gz SXZHVROCVXHHCA-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000427604865 529092635 /nfs/dbraw/zinc/09/26/35/529092635.db2.gz SXZHVROCVXHHCA-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423241230 529179486 /nfs/dbraw/zinc/17/94/86/529179486.db2.gz UUHWRRHZHBZZKE-ZIAGYGMSSA-N 2 2 297.240 3.242 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000368105124 529203828 /nfs/dbraw/zinc/20/38/28/529203828.db2.gz OJPHGALQQVNENF-UKRRQHHQSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000368105124 529203831 /nfs/dbraw/zinc/20/38/31/529203831.db2.gz OJPHGALQQVNENF-UKRRQHHQSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H](C[NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000157852215 529360935 /nfs/dbraw/zinc/36/09/35/529360935.db2.gz SRXNLQNFDPYFMN-MRXNPFEDSA-N 2 2 260.425 3.256 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000494339949 535448188 /nfs/dbraw/zinc/44/81/88/535448188.db2.gz QXKXSXFDVAMBPJ-UHFFFAOYSA-N 2 2 293.480 3.202 20 0 CGADLP CC[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000484307902 535803074 /nfs/dbraw/zinc/80/30/74/535803074.db2.gz MAVMIFDODFIYQR-QGZVFWFLSA-N 2 2 294.483 3.047 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254228 571727579 /nfs/dbraw/zinc/72/75/79/571727579.db2.gz HNWRDOGECBKQJT-JOQOYGCGSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254228 571727583 /nfs/dbraw/zinc/72/75/83/571727583.db2.gz HNWRDOGECBKQJT-JOQOYGCGSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000199980895 571976840 /nfs/dbraw/zinc/97/68/40/571976840.db2.gz PJNLABFGIRIMKX-MAUKXSAKSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000740006978 572428438 /nfs/dbraw/zinc/42/84/38/572428438.db2.gz PUVYEXMFWPAAOT-AWEZNQCLSA-N 2 2 272.392 3.499 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000398071669 572495828 /nfs/dbraw/zinc/49/58/28/572495828.db2.gz DSXHYIOLSLXWHL-APWZRJJASA-N 2 2 295.430 3.082 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000398071669 572495832 /nfs/dbraw/zinc/49/58/32/572495832.db2.gz DSXHYIOLSLXWHL-APWZRJJASA-N 2 2 295.430 3.082 20 0 CGADLP Cc1[nH+]cc(CNc2cc(C)[nH+]c(C)n2)n1-c1ccccc1 ZINC000742430356 572582541 /nfs/dbraw/zinc/58/25/41/572582541.db2.gz RNXUFQFBXKOROT-UHFFFAOYSA-N 2 2 293.374 3.200 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)c1ccc(C)cc1C ZINC000749571683 573019838 /nfs/dbraw/zinc/01/98/38/573019838.db2.gz MFZDDSFKMIVXHO-UHFFFAOYSA-N 2 2 257.381 3.335 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)c1ccc(C)cc1C ZINC000749571683 573019845 /nfs/dbraw/zinc/01/98/45/573019845.db2.gz MFZDDSFKMIVXHO-UHFFFAOYSA-N 2 2 257.381 3.335 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932906349 618080039 /nfs/dbraw/zinc/08/00/39/618080039.db2.gz WVEHIYFQXVOOCI-QGZVFWFLSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932906349 618080046 /nfs/dbraw/zinc/08/00/46/618080046.db2.gz WVEHIYFQXVOOCI-QGZVFWFLSA-N 2 2 283.419 3.460 20 0 CGADLP C[C@H]1Cc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2O1 ZINC000891847442 618337045 /nfs/dbraw/zinc/33/70/45/618337045.db2.gz YXORQZOKZHLPPV-ZDUSSCGKSA-N 2 2 297.402 3.113 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101619 618530692 /nfs/dbraw/zinc/53/06/92/618530692.db2.gz AMAYLHZBDSGGPL-WFASDCNBSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101619 618530696 /nfs/dbraw/zinc/53/06/96/618530696.db2.gz AMAYLHZBDSGGPL-WFASDCNBSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101619 618530700 /nfs/dbraw/zinc/53/07/00/618530700.db2.gz AMAYLHZBDSGGPL-WFASDCNBSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101619 618530702 /nfs/dbraw/zinc/53/07/02/618530702.db2.gz AMAYLHZBDSGGPL-WFASDCNBSA-N 2 2 296.842 3.350 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC(F)F ZINC000926843352 618932403 /nfs/dbraw/zinc/93/24/03/618932403.db2.gz WAXAGWPFMYCHCK-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)CC(F)F ZINC000926843352 618932405 /nfs/dbraw/zinc/93/24/05/618932405.db2.gz WAXAGWPFMYCHCK-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000925563623 619062082 /nfs/dbraw/zinc/06/20/82/619062082.db2.gz OSGDQPGXZOVBQO-MELADBBJSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000925563623 619062085 /nfs/dbraw/zinc/06/20/85/619062085.db2.gz OSGDQPGXZOVBQO-MELADBBJSA-N 2 2 272.383 3.171 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000925645389 619104365 /nfs/dbraw/zinc/10/43/65/619104365.db2.gz PUBIITNKFMLYJK-UBHSHLNASA-N 2 2 286.341 3.063 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1 ZINC000178505971 619235848 /nfs/dbraw/zinc/23/58/48/619235848.db2.gz UCVUCRMQSXUMQK-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnn(C2CCC2)c1 ZINC000894470513 619547867 /nfs/dbraw/zinc/54/78/67/619547867.db2.gz BAUBRODJVTZURC-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnn(C2CCC2)c1 ZINC000894470513 619547874 /nfs/dbraw/zinc/54/78/74/619547874.db2.gz BAUBRODJVTZURC-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP C[N@@H+](C/C=C/c1cccc(F)c1)CCCn1cc[nH+]c1 ZINC000894776234 619624847 /nfs/dbraw/zinc/62/48/47/619624847.db2.gz DOLUQBRLUHIJJQ-ZZXKWVIFSA-N 2 2 273.355 3.058 20 0 CGADLP C[N@H+](C/C=C/c1cccc(F)c1)CCCn1cc[nH+]c1 ZINC000894776234 619624852 /nfs/dbraw/zinc/62/48/52/619624852.db2.gz DOLUQBRLUHIJJQ-ZZXKWVIFSA-N 2 2 273.355 3.058 20 0 CGADLP Cc1cc[nH+]c(N)c1CNc1ccc(C2CCC2)c[nH+]1 ZINC000894865126 619658483 /nfs/dbraw/zinc/65/84/83/619658483.db2.gz MORZSVXESLWSDA-UHFFFAOYSA-N 2 2 268.364 3.247 20 0 CGADLP COC1CCC(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000895563719 619850710 /nfs/dbraw/zinc/85/07/10/619850710.db2.gz CTUOPCDSJXYIDW-IIIMJFFVSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000895563719 619850711 /nfs/dbraw/zinc/85/07/11/619850711.db2.gz CTUOPCDSJXYIDW-IIIMJFFVSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000895706876 619873031 /nfs/dbraw/zinc/87/30/31/619873031.db2.gz OHUBHJKMMZINFC-WMLDXEAASA-N 2 2 269.392 3.403 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CC1(F)F ZINC000895706120 619873195 /nfs/dbraw/zinc/87/31/95/619873195.db2.gz IWAMRQXKDSQYAD-NWANDNLSSA-N 2 2 291.345 3.258 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841809 619892356 /nfs/dbraw/zinc/89/23/56/619892356.db2.gz IMDNXTKJYWHHBX-IUODEOHRSA-N 2 2 298.352 3.289 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841809 619892357 /nfs/dbraw/zinc/89/23/57/619892357.db2.gz IMDNXTKJYWHHBX-IUODEOHRSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841809 619892359 /nfs/dbraw/zinc/89/23/59/619892359.db2.gz IMDNXTKJYWHHBX-IUODEOHRSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841809 619892360 /nfs/dbraw/zinc/89/23/60/619892360.db2.gz IMDNXTKJYWHHBX-IUODEOHRSA-N 2 2 298.352 3.289 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896714342 620050744 /nfs/dbraw/zinc/05/07/44/620050744.db2.gz BRNJXSXAXGWKKA-HOCLYGCPSA-N 2 2 295.496 3.196 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1C[C@@H]1C ZINC000321162828 620286400 /nfs/dbraw/zinc/28/64/00/620286400.db2.gz XNBPWCPILGRZGU-ZQDZILKHSA-N 2 2 263.429 3.322 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897481204 620347909 /nfs/dbraw/zinc/34/79/09/620347909.db2.gz BGHNJTIGKQBRRQ-UONOGXRCSA-N 2 2 294.826 3.065 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897481204 620347912 /nfs/dbraw/zinc/34/79/12/620347912.db2.gz BGHNJTIGKQBRRQ-UONOGXRCSA-N 2 2 294.826 3.065 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)C[C@]2(C)C1 ZINC000897620552 620412865 /nfs/dbraw/zinc/41/28/65/620412865.db2.gz TXXISRDRJKMSOR-WBMJQRKESA-N 2 2 298.352 3.147 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)C[C@]2(C)C1 ZINC000897620552 620412867 /nfs/dbraw/zinc/41/28/67/620412867.db2.gz TXXISRDRJKMSOR-WBMJQRKESA-N 2 2 298.352 3.147 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)F)c(F)c3)C[C@]2(C)C1 ZINC000897620552 620412869 /nfs/dbraw/zinc/41/28/69/620412869.db2.gz TXXISRDRJKMSOR-WBMJQRKESA-N 2 2 298.352 3.147 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)C[C@]2(C)C1 ZINC000897620552 620412873 /nfs/dbraw/zinc/41/28/73/620412873.db2.gz TXXISRDRJKMSOR-WBMJQRKESA-N 2 2 298.352 3.147 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC000898433598 620587268 /nfs/dbraw/zinc/58/72/68/620587268.db2.gz OXKPCSJDMYLESJ-XCVCLJGOSA-N 2 2 293.842 3.064 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000902432660 621315887 /nfs/dbraw/zinc/31/58/87/621315887.db2.gz IRVLQYHHOKTLPB-UPRAQXHNSA-N 2 2 296.414 3.279 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CCCO2 ZINC000902414618 621323864 /nfs/dbraw/zinc/32/38/64/621323864.db2.gz YNPGGQVQZUVBAN-OAHLLOKOSA-N 2 2 274.408 3.105 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000902446679 621328347 /nfs/dbraw/zinc/32/83/47/621328347.db2.gz UWNZUOZEBDMMDP-JFIYKMOQSA-N 2 2 296.439 3.438 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2sccc21 ZINC000902468228 621339095 /nfs/dbraw/zinc/33/90/95/621339095.db2.gz RTNSQGQVVBFNRA-SZZQBSIJSA-N 2 2 262.422 3.169 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902468430 621340537 /nfs/dbraw/zinc/34/05/37/621340537.db2.gz TWPFLLDTJKKRNB-PASATYPHSA-N 2 2 256.393 3.108 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000902769124 621433387 /nfs/dbraw/zinc/43/33/87/621433387.db2.gz TVYUJIVZVVGROB-SJLPKXTDSA-N 2 2 299.418 3.310 20 0 CGADLP CCO[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000902790813 621448919 /nfs/dbraw/zinc/44/89/19/621448919.db2.gz SAZSFFWPGQDCJE-HOTGVXAUSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@H]([NH2+]C1CC(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902875341 621476895 /nfs/dbraw/zinc/47/68/95/621476895.db2.gz MJQRDFDOACTDRI-OWYJLGKBSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902967156 621501876 /nfs/dbraw/zinc/50/18/76/621501876.db2.gz PRTUAHREIUWFSE-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902964392 621508756 /nfs/dbraw/zinc/50/87/56/621508756.db2.gz LVQNBXVTKIXFSC-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902995674 621522411 /nfs/dbraw/zinc/52/24/11/621522411.db2.gz DGYAGXOWUCNZOG-KBXCAEBGSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903021921 621541689 /nfs/dbraw/zinc/54/16/89/621541689.db2.gz CUYSUVVAJPMOLD-OAHLLOKOSA-N 2 2 299.418 3.218 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000903023325 621541972 /nfs/dbraw/zinc/54/19/72/621541972.db2.gz DHCQAAVQVFEXLL-GJZGRUSLSA-N 2 2 299.418 3.481 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCS1 ZINC000903284084 621651416 /nfs/dbraw/zinc/65/14/16/621651416.db2.gz VNWMOVVHRPXPTC-ILXRZTDVSA-N 2 2 282.497 3.267 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCS1 ZINC000903284084 621651418 /nfs/dbraw/zinc/65/14/18/621651418.db2.gz VNWMOVVHRPXPTC-ILXRZTDVSA-N 2 2 282.497 3.267 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000903822149 621815997 /nfs/dbraw/zinc/81/59/97/621815997.db2.gz XUMUSUSBAXSDIO-RTBURBONSA-N 2 2 296.414 3.060 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000903850279 621820984 /nfs/dbraw/zinc/82/09/84/621820984.db2.gz NQESZWGRRWKIQM-TUAOUCFPSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000903850279 621820987 /nfs/dbraw/zinc/82/09/87/621820987.db2.gz NQESZWGRRWKIQM-TUAOUCFPSA-N 2 2 285.218 3.305 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864318 621822434 /nfs/dbraw/zinc/82/24/34/621822434.db2.gz IFCVRUHMYKWVIX-IBGZPJMESA-N 2 2 296.414 3.047 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903864318 621822436 /nfs/dbraw/zinc/82/24/36/621822436.db2.gz IFCVRUHMYKWVIX-IBGZPJMESA-N 2 2 296.414 3.047 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000903878307 621825204 /nfs/dbraw/zinc/82/52/04/621825204.db2.gz FYKQNOJLEHDJLW-INIZCTEOSA-N 2 2 296.405 3.314 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903878891 621825522 /nfs/dbraw/zinc/82/55/22/621825522.db2.gz MROQOJVLXJTJLK-KBPBESRZSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903878891 621825526 /nfs/dbraw/zinc/82/55/26/621825526.db2.gz MROQOJVLXJTJLK-KBPBESRZSA-N 2 2 268.351 3.114 20 0 CGADLP c1c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)onc1C1CC1 ZINC000903953634 621842652 /nfs/dbraw/zinc/84/26/52/621842652.db2.gz HRZSYRVFJRUZTD-RDJZCZTQSA-N 2 2 297.402 3.135 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000904449472 621923475 /nfs/dbraw/zinc/92/34/75/621923475.db2.gz IUKPVJPVVZZMOL-UHFFFAOYSA-N 2 2 299.399 3.137 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000904468888 621924536 /nfs/dbraw/zinc/92/45/36/621924536.db2.gz GGGRZCQFPAUMPS-KGLIPLIRSA-N 2 2 295.496 3.161 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000904468888 621924541 /nfs/dbraw/zinc/92/45/41/621924541.db2.gz GGGRZCQFPAUMPS-KGLIPLIRSA-N 2 2 295.496 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1csc2ccccc12 ZINC000904484913 621926337 /nfs/dbraw/zinc/92/63/37/621926337.db2.gz QKAGSRKOXTYTCD-NWDGAFQWSA-N 2 2 260.406 3.304 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769407742 625568544 /nfs/dbraw/zinc/56/85/44/625568544.db2.gz QFLMYDUBWRHQRQ-ZFWWWQNUSA-N 2 2 263.429 3.466 20 0 CGADLP C[N@H+](Cc1ccc(Cl)s1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862518 623270586 /nfs/dbraw/zinc/27/05/86/623270586.db2.gz DRJXWVQVNJAGIX-CYBMUJFWSA-N 2 2 272.845 3.223 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862518 623270593 /nfs/dbraw/zinc/27/05/93/623270593.db2.gz DRJXWVQVNJAGIX-CYBMUJFWSA-N 2 2 272.845 3.223 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1C ZINC000753660830 623473647 /nfs/dbraw/zinc/47/36/47/623473647.db2.gz AFKOCPDWCPFOEY-CVEARBPZSA-N 2 2 290.451 3.447 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1C ZINC000753660830 623473659 /nfs/dbraw/zinc/47/36/59/623473659.db2.gz AFKOCPDWCPFOEY-CVEARBPZSA-N 2 2 290.451 3.447 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210231 623820268 /nfs/dbraw/zinc/82/02/68/623820268.db2.gz MNXINEJSMFBVOV-IAGOWNOFSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210231 623820269 /nfs/dbraw/zinc/82/02/69/623820269.db2.gz MNXINEJSMFBVOV-IAGOWNOFSA-N 2 2 288.435 3.147 20 0 CGADLP c1cc2c(c(C[NH2+]C3CC[NH+](C4CCC4)CC3)n1)CCCC2 ZINC000921611478 625697117 /nfs/dbraw/zinc/69/71/17/625697117.db2.gz GYCJSIWJLZVXBT-UHFFFAOYSA-N 2 2 299.462 3.067 20 0 CGADLP CCc1[nH]nc(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000921493435 624595469 /nfs/dbraw/zinc/59/54/69/624595469.db2.gz OGDYGEUILAFJMH-UHFFFAOYSA-N 2 2 298.862 3.024 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251492672 624870731 /nfs/dbraw/zinc/87/07/31/624870731.db2.gz IYQBQOGECHHNQA-FXUDXRNXSA-N 2 2 261.413 3.220 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071119865 625058509 /nfs/dbraw/zinc/05/85/09/625058509.db2.gz GWTGKFQXOFMBOQ-BZUAXINKSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000921689966 625841587 /nfs/dbraw/zinc/84/15/87/625841587.db2.gz WZQCOVMNZPUUBS-AWEZNQCLSA-N 2 2 295.858 3.253 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000921689966 625841589 /nfs/dbraw/zinc/84/15/89/625841589.db2.gz WZQCOVMNZPUUBS-AWEZNQCLSA-N 2 2 295.858 3.253 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccs1 ZINC000086509793 626075727 /nfs/dbraw/zinc/07/57/27/626075727.db2.gz FEZQPBNQXUWMGA-VXGBXAGGSA-N 2 2 278.425 3.105 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531422 626161815 /nfs/dbraw/zinc/16/18/15/626161815.db2.gz SNGHPSICXHSWJS-KGLIPLIRSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531422 626161817 /nfs/dbraw/zinc/16/18/17/626161817.db2.gz SNGHPSICXHSWJS-KGLIPLIRSA-N 2 2 272.383 3.030 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000774437415 626177006 /nfs/dbraw/zinc/17/70/06/626177006.db2.gz FVZVYDZUEPYZJS-WBVHZDCISA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000774437415 626177007 /nfs/dbraw/zinc/17/70/07/626177007.db2.gz FVZVYDZUEPYZJS-WBVHZDCISA-N 2 2 260.425 3.458 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000764889287 627231977 /nfs/dbraw/zinc/23/19/77/627231977.db2.gz LZXBSFPNXYVWOA-ZIAGYGMSSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1Cl ZINC000765261414 627244237 /nfs/dbraw/zinc/24/42/37/627244237.db2.gz SPPFAHWCQLQWHJ-LBPRGKRZSA-N 2 2 278.787 3.063 20 0 CGADLP Cc1cccc(F)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000766212816 627303390 /nfs/dbraw/zinc/30/33/90/627303390.db2.gz LYIYLJXOZVYRNL-UHFFFAOYSA-N 2 2 299.393 3.288 20 0 CGADLP Cc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000768231523 627470131 /nfs/dbraw/zinc/47/01/31/627470131.db2.gz XFWXGUIKDJZQCI-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000768231523 627470133 /nfs/dbraw/zinc/47/01/33/627470133.db2.gz XFWXGUIKDJZQCI-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP C[C@H](CC[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775048222 628056406 /nfs/dbraw/zinc/05/64/06/628056406.db2.gz ICUJRECJEPBHKS-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](CC[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775048222 628056409 /nfs/dbraw/zinc/05/64/09/628056409.db2.gz ICUJRECJEPBHKS-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000775510165 628102512 /nfs/dbraw/zinc/10/25/12/628102512.db2.gz ZCGDJMCIEDVJRK-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000775510165 628102510 /nfs/dbraw/zinc/10/25/10/628102510.db2.gz ZCGDJMCIEDVJRK-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000776008507 628157188 /nfs/dbraw/zinc/15/71/88/628157188.db2.gz RKPAKWWEMUJXMO-MRXNPFEDSA-N 2 2 257.381 3.188 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000776035971 628160346 /nfs/dbraw/zinc/16/03/46/628160346.db2.gz PEETUNQTBIKPOY-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000776333742 628194623 /nfs/dbraw/zinc/19/46/23/628194623.db2.gz CSHMYVSBNUDUKI-HUUCEWRRSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000776363674 628198452 /nfs/dbraw/zinc/19/84/52/628198452.db2.gz JAKCENPGOYNHRY-ZIAGYGMSSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000776363674 628198457 /nfs/dbraw/zinc/19/84/57/628198457.db2.gz JAKCENPGOYNHRY-ZIAGYGMSSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863548216 629604136 /nfs/dbraw/zinc/60/41/36/629604136.db2.gz VWJXKGXREYCZOU-BXUZGUMPSA-N 2 2 293.361 3.124 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000863548690 629605572 /nfs/dbraw/zinc/60/55/72/629605572.db2.gz RLQWAHIVSKEHFV-VQISRLSMSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccnc(Cl)c1 ZINC000119697279 629692119 /nfs/dbraw/zinc/69/21/19/629692119.db2.gz FQEWEYMWHVPZSY-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000796670365 629812602 /nfs/dbraw/zinc/81/26/02/629812602.db2.gz CSARNDSILZTASX-LBPRGKRZSA-N 2 2 293.798 3.204 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(Cl)n1 ZINC000797592180 629966117 /nfs/dbraw/zinc/96/61/17/629966117.db2.gz PKSWITIFOHSRKC-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(Cl)n1 ZINC000797592180 629966125 /nfs/dbraw/zinc/96/61/25/629966125.db2.gz PKSWITIFOHSRKC-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(Cl)n1 ZINC000797592180 629966128 /nfs/dbraw/zinc/96/61/28/629966128.db2.gz PKSWITIFOHSRKC-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(Cl)n1 ZINC000797592180 629966133 /nfs/dbraw/zinc/96/61/33/629966133.db2.gz PKSWITIFOHSRKC-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Cl)n1 ZINC000797605090 629970427 /nfs/dbraw/zinc/97/04/27/629970427.db2.gz MLEDAZSFMAPYOY-UHFFFAOYSA-N 2 2 293.842 3.150 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000865573745 630194770 /nfs/dbraw/zinc/19/47/70/630194770.db2.gz LUFFKRXOSCVGTN-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800976827 630316725 /nfs/dbraw/zinc/31/67/25/630316725.db2.gz JEYZCIWVMHJXMX-KFKAGJAMSA-N 2 2 299.462 3.429 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000800979836 630317326 /nfs/dbraw/zinc/31/73/26/630317326.db2.gz AOXCLZFQXYJROE-RTBURBONSA-N 2 2 299.462 3.429 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC000810253777 630860295 /nfs/dbraw/zinc/86/02/95/630860295.db2.gz DDLFBTPNIXNTIF-KBUPBQIOSA-N 2 2 273.424 3.216 20 0 CGADLP C[C@H](C[NH2+]CCc1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000811474951 631070236 /nfs/dbraw/zinc/07/02/36/631070236.db2.gz GCCFOGZMWSQITQ-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000815552490 631794222 /nfs/dbraw/zinc/79/42/22/631794222.db2.gz CQSHZNBFERVFAH-ZDUSSCGKSA-N 2 2 261.344 3.072 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817951657 632247533 /nfs/dbraw/zinc/24/75/33/632247533.db2.gz IZZDDVDAHSOENF-CMPLNLGQSA-N 2 2 286.391 3.404 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000817981744 632271121 /nfs/dbraw/zinc/27/11/21/632271121.db2.gz NJRNXYXBVSUBMZ-KDOFPFPSSA-N 2 2 298.434 3.040 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1C ZINC000817984789 632274255 /nfs/dbraw/zinc/27/42/55/632274255.db2.gz ZZYFXBIWUBQRBB-LSDHHAIUSA-N 2 2 276.424 3.105 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000865747713 632876342 /nfs/dbraw/zinc/87/63/42/632876342.db2.gz VTEZHPIJCHCDQX-KRWDZBQOSA-N 2 2 299.418 3.310 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000866230339 633036563 /nfs/dbraw/zinc/03/65/63/633036563.db2.gz ZYXCGTCOIAEXNW-SFHVURJKSA-N 2 2 298.434 3.144 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000866248783 633044772 /nfs/dbraw/zinc/04/47/72/633044772.db2.gz FRJFNSAPRYQVHC-SJORKVTESA-N 2 2 289.467 3.113 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[NH+](CC)CC ZINC000872016533 633937270 /nfs/dbraw/zinc/93/72/70/633937270.db2.gz LACCPHGRAQYAJX-NSHDSACASA-N 2 2 254.340 3.039 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000872019027 633939734 /nfs/dbraw/zinc/93/97/34/633939734.db2.gz SEFYBTLQMMIJCB-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000872019027 633939737 /nfs/dbraw/zinc/93/97/37/633939737.db2.gz SEFYBTLQMMIJCB-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(O)ccc1F ZINC000872043353 633965640 /nfs/dbraw/zinc/96/56/40/633965640.db2.gz XAXHPLJKOKNAGP-LBPRGKRZSA-N 2 2 289.354 3.079 20 0 CGADLP C1CCC2(C1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000872084655 634009042 /nfs/dbraw/zinc/00/90/42/634009042.db2.gz JVVGDPFOMVKWRR-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCO2 ZINC000872084655 634009046 /nfs/dbraw/zinc/00/90/46/634009046.db2.gz JVVGDPFOMVKWRR-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872085915 634011823 /nfs/dbraw/zinc/01/18/23/634011823.db2.gz QMAXPDGLIIAZTO-IRXDYDNUSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)c2)nc1 ZINC000873230783 634292695 /nfs/dbraw/zinc/29/26/95/634292695.db2.gz YBEZFHPMLXZWRU-RBUKOAKNSA-N 2 2 293.414 3.123 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)c2)nc1 ZINC000873230782 634293461 /nfs/dbraw/zinc/29/34/61/634293461.db2.gz YBEZFHPMLXZWRU-OALUTQOASA-N 2 2 293.414 3.123 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000019905969 634369442 /nfs/dbraw/zinc/36/94/42/634369442.db2.gz IMVVZGVJYLLCCZ-RHSMWYFYSA-N 2 2 260.425 3.458 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877739112 635174123 /nfs/dbraw/zinc/17/41/23/635174123.db2.gz FKYFPOBDUUQNRS-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877739112 635174130 /nfs/dbraw/zinc/17/41/30/635174130.db2.gz FKYFPOBDUUQNRS-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877739112 635174134 /nfs/dbraw/zinc/17/41/34/635174134.db2.gz FKYFPOBDUUQNRS-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877739112 635174141 /nfs/dbraw/zinc/17/41/41/635174141.db2.gz FKYFPOBDUUQNRS-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744396 635180080 /nfs/dbraw/zinc/18/00/80/635180080.db2.gz SJYDLKRJCQHXIV-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744396 635180086 /nfs/dbraw/zinc/18/00/86/635180086.db2.gz SJYDLKRJCQHXIV-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744396 635180089 /nfs/dbraw/zinc/18/00/89/635180089.db2.gz SJYDLKRJCQHXIV-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@H]21 ZINC000877744396 635180093 /nfs/dbraw/zinc/18/00/93/635180093.db2.gz SJYDLKRJCQHXIV-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP FC1(F)CCC[C@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172736 635392490 /nfs/dbraw/zinc/39/24/90/635392490.db2.gz LQLFCQGOHAMJKZ-ZDUSSCGKSA-N 2 2 283.366 3.415 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256782 635435822 /nfs/dbraw/zinc/43/58/22/635435822.db2.gz CMJMYPJJYBSBRW-UKRRQHHQSA-N 2 2 295.858 3.206 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256782 635435824 /nfs/dbraw/zinc/43/58/24/635435824.db2.gz CMJMYPJJYBSBRW-UKRRQHHQSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256782 635435828 /nfs/dbraw/zinc/43/58/28/635435828.db2.gz CMJMYPJJYBSBRW-UKRRQHHQSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)[C@H](C)C1 ZINC000878256782 635435834 /nfs/dbraw/zinc/43/58/34/635435834.db2.gz CMJMYPJJYBSBRW-UKRRQHHQSA-N 2 2 295.858 3.206 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256779 635436467 /nfs/dbraw/zinc/43/64/67/635436467.db2.gz CMJMYPJJYBSBRW-DZGCQCFKSA-N 2 2 295.858 3.206 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256779 635436475 /nfs/dbraw/zinc/43/64/75/635436475.db2.gz CMJMYPJJYBSBRW-DZGCQCFKSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256779 635436485 /nfs/dbraw/zinc/43/64/85/635436485.db2.gz CMJMYPJJYBSBRW-DZGCQCFKSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256779 635436493 /nfs/dbraw/zinc/43/64/93/635436493.db2.gz CMJMYPJJYBSBRW-DZGCQCFKSA-N 2 2 295.858 3.206 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000843045182 635550398 /nfs/dbraw/zinc/55/03/98/635550398.db2.gz ONMMHVCVKSFALU-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000843045182 635550404 /nfs/dbraw/zinc/55/04/04/635550404.db2.gz ONMMHVCVKSFALU-UKRRQHHQSA-N 2 2 293.480 3.231 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1Cl ZINC000843054268 635551253 /nfs/dbraw/zinc/55/12/53/635551253.db2.gz TXWNHRQIZFBQHR-AGUYFDCRSA-N 2 2 282.790 3.323 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1Cl ZINC000843054268 635551259 /nfs/dbraw/zinc/55/12/59/635551259.db2.gz TXWNHRQIZFBQHR-AGUYFDCRSA-N 2 2 282.790 3.323 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)nc1Cl ZINC000878608506 635568081 /nfs/dbraw/zinc/56/80/81/635568081.db2.gz UMZGWIIVNJENFP-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)nc1Cl ZINC000878608506 635568087 /nfs/dbraw/zinc/56/80/87/635568087.db2.gz UMZGWIIVNJENFP-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1Cl ZINC000878608506 635568088 /nfs/dbraw/zinc/56/80/88/635568088.db2.gz UMZGWIIVNJENFP-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1Cl ZINC000878608506 635568093 /nfs/dbraw/zinc/56/80/93/635568093.db2.gz UMZGWIIVNJENFP-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP c1cn(CCC[NH2+][C@@H](Cc2cccnc2)C2CCCC2)c[nH+]1 ZINC000879675156 635832489 /nfs/dbraw/zinc/83/24/89/635832489.db2.gz WWWPYADADPBSJS-SFHVURJKSA-N 2 2 298.434 3.059 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136031 635920271 /nfs/dbraw/zinc/92/02/71/635920271.db2.gz DMZMRINUJGELSL-IAGOWNOFSA-N 2 2 290.476 3.088 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136031 635920274 /nfs/dbraw/zinc/92/02/74/635920274.db2.gz DMZMRINUJGELSL-IAGOWNOFSA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCSCc1ccccc1 ZINC000880136031 635920280 /nfs/dbraw/zinc/92/02/80/635920280.db2.gz DMZMRINUJGELSL-IAGOWNOFSA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCSCc1ccccc1 ZINC000880136031 635920283 /nfs/dbraw/zinc/92/02/83/635920283.db2.gz DMZMRINUJGELSL-IAGOWNOFSA-N 2 2 290.476 3.088 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000880473104 636007120 /nfs/dbraw/zinc/00/71/20/636007120.db2.gz PLBAWPRYIVVQON-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP FC1(F)CC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569643 636022674 /nfs/dbraw/zinc/02/26/74/636022674.db2.gz NFVLJWQCWDAREQ-OAHLLOKOSA-N 2 2 291.345 3.259 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829987 636252553 /nfs/dbraw/zinc/25/25/53/636252553.db2.gz VHQDBAUILDWIBE-SMDDNHRTSA-N 2 2 299.821 3.036 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829987 636252560 /nfs/dbraw/zinc/25/25/60/636252560.db2.gz VHQDBAUILDWIBE-SMDDNHRTSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829987 636252562 /nfs/dbraw/zinc/25/25/62/636252562.db2.gz VHQDBAUILDWIBE-SMDDNHRTSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829987 636252564 /nfs/dbraw/zinc/25/25/64/636252564.db2.gz VHQDBAUILDWIBE-SMDDNHRTSA-N 2 2 299.821 3.036 20 0 CGADLP CSc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000882910625 636458680 /nfs/dbraw/zinc/45/86/80/636458680.db2.gz XEHOFKCJQQKFTD-CYBMUJFWSA-N 2 2 293.436 3.403 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131032290 636545883 /nfs/dbraw/zinc/54/58/83/636545883.db2.gz YLHWNXRDJOCQLZ-DOMZBBRYSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131032290 636545887 /nfs/dbraw/zinc/54/58/87/636545887.db2.gz YLHWNXRDJOCQLZ-DOMZBBRYSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568655 636611266 /nfs/dbraw/zinc/61/12/66/636611266.db2.gz NLYLNOOOTVEILR-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568655 636611276 /nfs/dbraw/zinc/61/12/76/636611276.db2.gz NLYLNOOOTVEILR-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848569215 636611425 /nfs/dbraw/zinc/61/14/25/636611425.db2.gz XMDCLCHXRLSVCC-VGWMRTNUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848569215 636611428 /nfs/dbraw/zinc/61/14/28/636611428.db2.gz XMDCLCHXRLSVCC-VGWMRTNUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388564 636730920 /nfs/dbraw/zinc/73/09/20/636730920.db2.gz XOBGXWQMDAULCC-OIISXLGYSA-N 2 2 269.392 3.403 20 0 CGADLP FCC1(CF)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000850429870 637057951 /nfs/dbraw/zinc/05/79/51/637057951.db2.gz UAWDEKBKUBGARZ-UHFFFAOYSA-N 2 2 291.345 3.050 20 0 CGADLP Cc1coc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000885990683 637344943 /nfs/dbraw/zinc/34/49/43/637344943.db2.gz NEGIBRRZNIFXRU-CQSZACIVSA-N 2 2 252.402 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1nc2ccccc2s1 ZINC000925499687 638260107 /nfs/dbraw/zinc/26/01/07/638260107.db2.gz SJBBFWKEXTYQQO-ZLKJLUDKSA-N 2 2 287.432 3.217 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924529329 638350972 /nfs/dbraw/zinc/35/09/72/638350972.db2.gz UYAXXFZXFIKNKN-KSZLIROESA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924529329 638350977 /nfs/dbraw/zinc/35/09/77/638350977.db2.gz UYAXXFZXFIKNKN-KSZLIROESA-N 3 2 295.515 3.103 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000924661223 638385638 /nfs/dbraw/zinc/38/56/38/638385638.db2.gz NWVVODAEKRYXBG-IIDMSEBBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000924661223 638385644 /nfs/dbraw/zinc/38/56/44/638385644.db2.gz NWVVODAEKRYXBG-IIDMSEBBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000924662147 638386158 /nfs/dbraw/zinc/38/61/58/638386158.db2.gz SQVLRFRBOUDBPO-BDXSIMOUSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000924662147 638386160 /nfs/dbraw/zinc/38/61/60/638386160.db2.gz SQVLRFRBOUDBPO-BDXSIMOUSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn(C)cn1 ZINC000925185486 638469211 /nfs/dbraw/zinc/46/92/11/638469211.db2.gz ZSKOBUYVIFHDDS-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)on1 ZINC000925498248 638512194 /nfs/dbraw/zinc/51/21/94/638512194.db2.gz DHGFTXWOVBYEEY-JKSUJKDBSA-N 2 2 291.439 3.056 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000925532357 638521323 /nfs/dbraw/zinc/52/13/23/638521323.db2.gz RICHDAWWEYLAGO-RHSMWYFYSA-N 2 2 276.424 3.014 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925654412 638558164 /nfs/dbraw/zinc/55/81/64/638558164.db2.gz LTVPPDIQSDRBOE-JXKRQKLTSA-N 2 2 288.460 3.056 20 0 CGADLP C[N@H+](CCC[NH2+][C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846872 638576482 /nfs/dbraw/zinc/57/64/82/638576482.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@@H+](CCC[NH2+][C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846872 638576487 /nfs/dbraw/zinc/57/64/87/638576487.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@H+](CCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857846872 638576494 /nfs/dbraw/zinc/57/64/94/638576494.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@@H+](CCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857846872 638576498 /nfs/dbraw/zinc/57/64/98/638576498.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925734643 638587729 /nfs/dbraw/zinc/58/77/29/638587729.db2.gz BRHWIGFVYSRRFW-LBPRGKRZSA-N 2 2 297.402 3.231 20 0 CGADLP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000925739172 638591683 /nfs/dbraw/zinc/59/16/83/638591683.db2.gz UPHFOBFSYVSXOG-MRXNPFEDSA-N 2 2 287.382 3.027 20 0 CGADLP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1c3ccccc3CC[C@@H]1F)[NH2+]2 ZINC000925772075 638606851 /nfs/dbraw/zinc/60/68/51/638606851.db2.gz PWQMHEXKLJUFDB-RHPUALFFSA-N 2 2 288.410 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(Cl)cc(Cl)c1F ZINC000925828014 638624349 /nfs/dbraw/zinc/62/43/49/638624349.db2.gz CSHNIHIHKJDELW-YUMQZZPRSA-N 2 2 291.197 3.391 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858161968 638647253 /nfs/dbraw/zinc/64/72/53/638647253.db2.gz JKBWHOXSAUBIBK-GFCCVEGCSA-N 2 2 281.831 3.006 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858161968 638647257 /nfs/dbraw/zinc/64/72/57/638647257.db2.gz JKBWHOXSAUBIBK-GFCCVEGCSA-N 2 2 281.831 3.006 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926175858 638729284 /nfs/dbraw/zinc/72/92/84/638729284.db2.gz SCPNKXDIGGITNO-AGIUHOORSA-N 2 2 278.362 3.324 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926175858 638729291 /nfs/dbraw/zinc/72/92/91/638729291.db2.gz SCPNKXDIGGITNO-AGIUHOORSA-N 2 2 278.362 3.324 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926231340 638748497 /nfs/dbraw/zinc/74/84/97/638748497.db2.gz ZQSWXOAFRWKOCP-ZIAGYGMSSA-N 2 2 263.429 3.104 20 0 CGADLP CCc1nc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)co1 ZINC000926537135 638782541 /nfs/dbraw/zinc/78/25/41/638782541.db2.gz RUKBYSQUTTYEBY-ZDUSSCGKSA-N 2 2 287.407 3.149 20 0 CGADLP COCc1cc[nH+]c(N[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926658625 638795609 /nfs/dbraw/zinc/79/56/09/638795609.db2.gz DOHMHGLRPXLDQB-CQSZACIVSA-N 2 2 299.418 3.463 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC000929148136 638903174 /nfs/dbraw/zinc/90/31/74/638903174.db2.gz UIVAVNJNLWOXBY-UHFFFAOYSA-N 2 2 285.366 3.455 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)[nH+]1 ZINC000929148136 638903175 /nfs/dbraw/zinc/90/31/75/638903175.db2.gz UIVAVNJNLWOXBY-UHFFFAOYSA-N 2 2 285.366 3.455 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccsc2)c(C)[nH+]1 ZINC000929264646 638913607 /nfs/dbraw/zinc/91/36/07/638913607.db2.gz YIPWHMHZQRYZAW-CQSZACIVSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccsc2)c(C)[nH+]1 ZINC000929264646 638913608 /nfs/dbraw/zinc/91/36/08/638913608.db2.gz YIPWHMHZQRYZAW-CQSZACIVSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c(C)[nH+]1 ZINC000930224985 638984364 /nfs/dbraw/zinc/98/43/64/638984364.db2.gz WGNJFKCFBIAIGY-GOSISDBHSA-N 2 2 299.418 3.284 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSC(C)(C)C ZINC000931720248 639196927 /nfs/dbraw/zinc/19/69/27/639196927.db2.gz VLCFVIODDQUSJH-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSC(C)(C)C ZINC000931720248 639196931 /nfs/dbraw/zinc/19/69/31/639196931.db2.gz VLCFVIODDQUSJH-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCSC(C)(C)C ZINC000931720248 639196936 /nfs/dbraw/zinc/19/69/36/639196936.db2.gz VLCFVIODDQUSJH-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCSC(C)(C)C ZINC000931720248 639196938 /nfs/dbraw/zinc/19/69/38/639196938.db2.gz VLCFVIODDQUSJH-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP CCC[N@H+](CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188043 639553425 /nfs/dbraw/zinc/55/34/25/639553425.db2.gz IDIMWYAWVWUJNV-UHFFFAOYSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[N@@H+](CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188043 639553434 /nfs/dbraw/zinc/55/34/34/639553434.db2.gz IDIMWYAWVWUJNV-UHFFFAOYSA-N 2 2 290.451 3.009 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000041063667 639899080 /nfs/dbraw/zinc/89/90/80/639899080.db2.gz LYRDKEUITCHYSK-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1c(F)cccc1F ZINC000251280406 640823539 /nfs/dbraw/zinc/82/35/39/640823539.db2.gz ZFXOSXNRDWPNCQ-UTUOFQBUSA-N 2 2 268.351 3.146 20 0 CGADLP CC(C)(C)c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]c1 ZINC001164774669 721303409 /nfs/dbraw/zinc/30/34/09/721303409.db2.gz HAGVACZRAHKFIN-UHFFFAOYSA-N 2 2 299.462 3.301 20 0 CGADLP CC(C)(C)c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]c1 ZINC001164774669 721303411 /nfs/dbraw/zinc/30/34/11/721303411.db2.gz HAGVACZRAHKFIN-UHFFFAOYSA-N 2 2 299.462 3.301 20 0 CGADLP C[NH+](C)CC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527845161 721942788 /nfs/dbraw/zinc/94/27/88/721942788.db2.gz CHBUFLGBPXVHMF-UHFFFAOYSA-N 2 2 269.392 3.013 20 0 CGADLP Cc1cc(C)[nH+]c(N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155559701 805592566 /nfs/dbraw/zinc/59/25/66/805592566.db2.gz PVTBBQNWKOXPAW-LBPRGKRZSA-N 2 2 259.378 3.016 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001156390072 805682646 /nfs/dbraw/zinc/68/26/46/805682646.db2.gz UTAHNDRRUQIUDG-CYBMUJFWSA-N 2 2 281.831 3.496 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156390072 805682649 /nfs/dbraw/zinc/68/26/49/805682649.db2.gz UTAHNDRRUQIUDG-CYBMUJFWSA-N 2 2 281.831 3.496 20 0 CGADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(C2CC2)[nH+]1 ZINC001156774746 805733075 /nfs/dbraw/zinc/73/30/75/805733075.db2.gz AFFUCLGZGSTVSF-UHFFFAOYSA-N 2 2 288.439 3.147 20 0 CGADLP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC001157692058 805853448 /nfs/dbraw/zinc/85/34/48/805853448.db2.gz UBQNPLAPXSRVNT-HZPDHXFCSA-N 2 2 281.403 3.013 20 0 CGADLP c1cc2c(cc1Nc1ccc(N3CCCC3)[nH+]c1)C[NH2+]CC2 ZINC001159615847 806133684 /nfs/dbraw/zinc/13/36/84/806133684.db2.gz MFCPBLPOYQCBAR-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001160475396 806277939 /nfs/dbraw/zinc/27/79/39/806277939.db2.gz DFXWUDNFZLNGHE-XYYAHUGASA-N 2 2 277.437 3.231 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001160475396 806277940 /nfs/dbraw/zinc/27/79/40/806277940.db2.gz DFXWUDNFZLNGHE-XYYAHUGASA-N 2 2 277.437 3.231 20 0 CGADLP Cc1cc(NCc2ccccc2C[NH3+])nc(C(C)(C)C)[nH+]1 ZINC001160908752 806318042 /nfs/dbraw/zinc/31/80/42/806318042.db2.gz WRZAOOWRLJYWDW-UHFFFAOYSA-N 2 2 284.407 3.153 20 0 CGADLP c1ccc(C2CC2)c(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254836557 806493514 /nfs/dbraw/zinc/49/35/14/806493514.db2.gz MUTICKPRDOMOCX-KRWDZBQOSA-N 2 2 270.420 3.138 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841412 806495484 /nfs/dbraw/zinc/49/54/84/806495484.db2.gz WHVLHDNJSVXRTD-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254841448 806495738 /nfs/dbraw/zinc/49/57/38/806495738.db2.gz WTIGRPXTJVCRHT-KRWDZBQOSA-N 2 2 272.436 3.304 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCSCC2)CC1 ZINC001255094620 806542887 /nfs/dbraw/zinc/54/28/87/806542887.db2.gz ANFHKKNRZHNWOJ-UHFFFAOYSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCSCC2)CC1 ZINC001255094620 806542894 /nfs/dbraw/zinc/54/28/94/806542894.db2.gz ANFHKKNRZHNWOJ-UHFFFAOYSA-N 2 2 282.497 3.221 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1 ZINC001162402794 806577797 /nfs/dbraw/zinc/57/77/97/806577797.db2.gz WUZXZMCWGHBCAQ-DTWKUNHWSA-N 2 2 298.312 3.264 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001255300808 806600196 /nfs/dbraw/zinc/60/01/96/806600196.db2.gz BGKWMMZOTFZOHJ-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001255300808 806600202 /nfs/dbraw/zinc/60/02/02/806600202.db2.gz BGKWMMZOTFZOHJ-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3C[NH2+][C@H](C)C3)c2)cc1 ZINC001162552736 806618032 /nfs/dbraw/zinc/61/80/32/806618032.db2.gz QBPBGCFQHLAYIE-HUUCEWRRSA-N 2 2 281.403 3.467 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC(C)(C)C1 ZINC001255555124 806672467 /nfs/dbraw/zinc/67/24/67/806672467.db2.gz WYHAQKNGXYPGHI-KRWDZBQOSA-N 2 2 299.418 3.262 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCOC(C)(C)C1 ZINC001255555124 806672470 /nfs/dbraw/zinc/67/24/70/806672470.db2.gz WYHAQKNGXYPGHI-KRWDZBQOSA-N 2 2 299.418 3.262 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCOC(C)(C)C2)CC1 ZINC001255551506 806672665 /nfs/dbraw/zinc/67/26/65/806672665.db2.gz MKSAXHSFGXLPSG-KRWDZBQOSA-N 2 2 294.483 3.283 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCOC(C)(C)C2)CC1 ZINC001255551506 806672669 /nfs/dbraw/zinc/67/26/69/806672669.db2.gz MKSAXHSFGXLPSG-KRWDZBQOSA-N 2 2 294.483 3.283 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037320104 798866839 /nfs/dbraw/zinc/86/68/39/798866839.db2.gz SYSMPSPXUPYQCZ-ZIAGYGMSSA-N 2 2 251.418 3.466 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000091335551 798953818 /nfs/dbraw/zinc/95/38/18/798953818.db2.gz YPGBQGYMZKTEGY-GUYCJALGSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000091335551 798953823 /nfs/dbraw/zinc/95/38/23/798953823.db2.gz YPGBQGYMZKTEGY-GUYCJALGSA-N 2 2 292.854 3.345 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300403597 799203742 /nfs/dbraw/zinc/20/37/42/799203742.db2.gz TZMWLXBXVDQVTH-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300403597 799203748 /nfs/dbraw/zinc/20/37/48/799203748.db2.gz TZMWLXBXVDQVTH-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000380367137 799362968 /nfs/dbraw/zinc/36/29/68/799362968.db2.gz KPVFHNWYMPUKKC-MRXNPFEDSA-N 2 2 289.810 3.059 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000380367137 799362974 /nfs/dbraw/zinc/36/29/74/799362974.db2.gz KPVFHNWYMPUKKC-MRXNPFEDSA-N 2 2 289.810 3.059 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163365755 806748861 /nfs/dbraw/zinc/74/88/61/806748861.db2.gz MVHQWMLEOCEYAS-FZMZJTMJSA-N 2 2 265.376 3.060 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163365755 806748866 /nfs/dbraw/zinc/74/88/66/806748866.db2.gz MVHQWMLEOCEYAS-FZMZJTMJSA-N 2 2 265.376 3.060 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399054792 799534744 /nfs/dbraw/zinc/53/47/44/799534744.db2.gz WXKMCKLKTQISLH-MJVIPROJSA-N 2 2 252.789 3.131 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC001255839909 806763354 /nfs/dbraw/zinc/76/33/54/806763354.db2.gz XVXKXQHVLTXUCL-HOCLYGCPSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC001255839909 806763359 /nfs/dbraw/zinc/76/33/59/806763359.db2.gz XVXKXQHVLTXUCL-HOCLYGCPSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001255842056 806764942 /nfs/dbraw/zinc/76/49/42/806764942.db2.gz NNJJBBIVOJVOER-OAHLLOKOSA-N 2 2 290.426 3.317 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)cc1F ZINC001255946983 806792365 /nfs/dbraw/zinc/79/23/65/806792365.db2.gz LTNUWJDSUNGSJM-CQSZACIVSA-N 2 2 266.404 3.344 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000708861627 799998476 /nfs/dbraw/zinc/99/84/76/799998476.db2.gz INVSDEBPNUJZPL-IHRRRGAJSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000708861627 799998479 /nfs/dbraw/zinc/99/84/79/799998479.db2.gz INVSDEBPNUJZPL-IHRRRGAJSA-N 2 2 252.446 3.274 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710276551 800031681 /nfs/dbraw/zinc/03/16/81/800031681.db2.gz HEMDCMCPVMJABI-UHFFFAOYSA-N 2 2 281.469 3.176 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC001255957040 806798649 /nfs/dbraw/zinc/79/86/49/806798649.db2.gz OJNXPQXJGYMCMN-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC001255957040 806798652 /nfs/dbraw/zinc/79/86/52/806798652.db2.gz OJNXPQXJGYMCMN-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001255969216 806802101 /nfs/dbraw/zinc/80/21/01/806802101.db2.gz VNOFAGSKCAZFNA-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001255969216 806802109 /nfs/dbraw/zinc/80/21/09/806802109.db2.gz VNOFAGSKCAZFNA-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716269100 800166175 /nfs/dbraw/zinc/16/61/75/800166175.db2.gz JFXOWIXVZOXENJ-MAUKXSAKSA-N 2 2 272.436 3.287 20 0 CGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256073230 806813575 /nfs/dbraw/zinc/81/35/75/806813575.db2.gz PECQQNQZHJBXCD-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256073230 806813582 /nfs/dbraw/zinc/81/35/82/806813582.db2.gz PECQQNQZHJBXCD-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP c1ccc2c(c1)C[N@H+](C1CC[NH+](C3CC3)CC1)CCS2 ZINC001256082142 806816779 /nfs/dbraw/zinc/81/67/79/806816779.db2.gz UASCLRHVEOCAOI-UHFFFAOYSA-N 2 2 288.460 3.221 20 0 CGADLP c1ccc2c(c1)C[N@@H+](C1CC[NH+](C3CC3)CC1)CCS2 ZINC001256082142 806816788 /nfs/dbraw/zinc/81/67/88/806816788.db2.gz UASCLRHVEOCAOI-UHFFFAOYSA-N 2 2 288.460 3.221 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721629432 800298360 /nfs/dbraw/zinc/29/83/60/800298360.db2.gz KEYAZHTXPBCZQD-ARFHVFGLSA-N 2 2 284.488 3.146 20 0 CGADLP CC1CC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604905 806923318 /nfs/dbraw/zinc/92/33/18/806923318.db2.gz ZZHSNFMBDFITOB-UHFFFAOYSA-N 2 2 272.436 3.381 20 0 CGADLP CC1CC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256604905 806923321 /nfs/dbraw/zinc/92/33/21/806923321.db2.gz ZZHSNFMBDFITOB-UHFFFAOYSA-N 2 2 272.436 3.381 20 0 CGADLP C[N@H+](C1CC(F)(F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603365 806923473 /nfs/dbraw/zinc/92/34/73/806923473.db2.gz DPRCGXZDRWRSKR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP C[N@@H+](C1CC(F)(F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603365 806923477 /nfs/dbraw/zinc/92/34/77/806923477.db2.gz DPRCGXZDRWRSKR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)cc[nH+]c1N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001164439997 806946652 /nfs/dbraw/zinc/94/66/52/806946652.db2.gz XUYQEOOZLNZXPC-UHFFFAOYSA-N 2 2 299.393 3.026 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001116291294 802325460 /nfs/dbraw/zinc/32/54/60/802325460.db2.gz BFGMVGIZSICKCE-UONOGXRCSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001116291294 802325470 /nfs/dbraw/zinc/32/54/70/802325470.db2.gz BFGMVGIZSICKCE-UONOGXRCSA-N 2 2 280.843 3.202 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=CCCCCC1 ZINC001116650658 802391205 /nfs/dbraw/zinc/39/12/05/802391205.db2.gz AKOKUFVTUZHEEA-UHFFFAOYSA-N 2 2 296.374 3.405 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cnccc2C2CC2)C1 ZINC001244284042 803278730 /nfs/dbraw/zinc/27/87/30/803278730.db2.gz NBFUHVSBVFNSID-MRXNPFEDSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cnccc2C2CC2)C1 ZINC001244284042 803278735 /nfs/dbraw/zinc/27/87/35/803278735.db2.gz NBFUHVSBVFNSID-MRXNPFEDSA-N 2 2 293.414 3.159 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnn(C(C)C)c2)CC1 ZINC001137082982 803681325 /nfs/dbraw/zinc/68/13/25/803681325.db2.gz VXEYJUHKDABCLH-UHFFFAOYSA-N 2 2 292.471 3.160 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnn(C(C)C)c2)CC1 ZINC001137082982 803681326 /nfs/dbraw/zinc/68/13/26/803681326.db2.gz VXEYJUHKDABCLH-UHFFFAOYSA-N 2 2 292.471 3.160 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3cc(C)ccc3n2)CC1 ZINC001137216056 803698721 /nfs/dbraw/zinc/69/87/21/803698721.db2.gz WNBORRFAUXMCDG-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cc(C)ccc3n2)CC1 ZINC001137216056 803698725 /nfs/dbraw/zinc/69/87/25/803698725.db2.gz WNBORRFAUXMCDG-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C1CC[NH+](C)CC1 ZINC001137376398 803724894 /nfs/dbraw/zinc/72/48/94/803724894.db2.gz FNQRWCLOTCCJTQ-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP CC[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)C1CC[NH+](C)CC1 ZINC001137376398 803724897 /nfs/dbraw/zinc/72/48/97/803724897.db2.gz FNQRWCLOTCCJTQ-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP Nc1cn2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001245524165 803789321 /nfs/dbraw/zinc/78/93/21/803789321.db2.gz MWYAFQVTFOIXRY-UHFFFAOYSA-N 2 2 292.386 3.051 20 0 CGADLP Cc1cc(-c2ccc(F)c(C[NH+]3CCCC3)c2)c[nH+]c1N ZINC001245541833 803799683 /nfs/dbraw/zinc/79/96/83/803799683.db2.gz ZKHLTFLKUUVCCX-UHFFFAOYSA-N 2 2 285.366 3.374 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(Cl)c1 ZINC001138476535 803945908 /nfs/dbraw/zinc/94/59/08/803945908.db2.gz LTKPCMLSJWYGGD-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(Cl)c1 ZINC001138476535 803945913 /nfs/dbraw/zinc/94/59/13/803945913.db2.gz LTKPCMLSJWYGGD-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138569757 803969783 /nfs/dbraw/zinc/96/97/83/803969783.db2.gz NUAIUCZYRROHSX-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001138569757 803969792 /nfs/dbraw/zinc/96/97/92/803969792.db2.gz NUAIUCZYRROHSX-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246131444 804157679 /nfs/dbraw/zinc/15/76/79/804157679.db2.gz KBTMBUYXGGRSOK-IINYFYTJSA-N 2 2 299.245 3.266 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246131518 804158049 /nfs/dbraw/zinc/15/80/49/804158049.db2.gz ZHVUDXMRRGDAGL-GWCFXTLKSA-N 2 2 287.234 3.266 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139208262 804163293 /nfs/dbraw/zinc/16/32/93/804163293.db2.gz RWZSXENOHYNVGZ-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139208262 804163299 /nfs/dbraw/zinc/16/32/99/804163299.db2.gz RWZSXENOHYNVGZ-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[C@@H]1CC([NH2+]Cc2cc(F)ccc2F)C[C@@H](CC)[NH2+]1 ZINC001246160893 804177225 /nfs/dbraw/zinc/17/72/25/804177225.db2.gz VYEVSXQYROLVCX-ZIAGYGMSSA-N 2 2 282.378 3.364 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCCO4)CC3)cc2)c[nH+]1 ZINC001139360415 804183647 /nfs/dbraw/zinc/18/36/47/804183647.db2.gz UFOPNOFNRBNSAI-UHFFFAOYSA-N 2 2 297.402 3.017 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)n2)CC1 ZINC001139550742 804204877 /nfs/dbraw/zinc/20/48/77/804204877.db2.gz KMRNASFUICMHPA-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC001139550742 804204883 /nfs/dbraw/zinc/20/48/83/804204883.db2.gz KMRNASFUICMHPA-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229067 804221595 /nfs/dbraw/zinc/22/15/95/804221595.db2.gz KABXLMIUAKZAEV-VHSXEESVSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Cl)CC[NH2+]1 ZINC001246236747 804229217 /nfs/dbraw/zinc/22/92/17/804229217.db2.gz YYCURHHEWJXNMB-GXTWGEPZSA-N 2 2 284.806 3.345 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)c1 ZINC001246271065 804248091 /nfs/dbraw/zinc/24/80/91/804248091.db2.gz DNBNAQZYVUFYEI-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246274597 804252098 /nfs/dbraw/zinc/25/20/98/804252098.db2.gz XZLFZZABVGDTIZ-HZPDHXFCSA-N 2 2 264.388 3.399 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246280442 804256914 /nfs/dbraw/zinc/25/69/14/804256914.db2.gz RPNGEJVXDQHSNG-BJJXKVORSA-N 2 2 292.398 3.016 20 0 CGADLP Cc1c(F)ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246290538 804261872 /nfs/dbraw/zinc/26/18/72/804261872.db2.gz XUVYVGOVYKSVAL-ZFWWWQNUSA-N 2 2 282.378 3.139 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246294544 804264529 /nfs/dbraw/zinc/26/45/29/804264529.db2.gz XFFJOMXPFNTZSE-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C[NH2+]1 ZINC001246317974 804277542 /nfs/dbraw/zinc/27/75/42/804277542.db2.gz PTFXHUGRLRFACV-BBRMVZONSA-N 2 2 276.399 3.325 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801951 804284445 /nfs/dbraw/zinc/28/44/45/804284445.db2.gz HMSHKJVOHIQBDY-KBPBESRZSA-N 2 2 280.362 3.008 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC001139883297 804312125 /nfs/dbraw/zinc/31/21/25/804312125.db2.gz MSGGKHFWEZSWGT-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC001139883297 804312132 /nfs/dbraw/zinc/31/21/32/804312132.db2.gz MSGGKHFWEZSWGT-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139897119 804322236 /nfs/dbraw/zinc/32/22/36/804322236.db2.gz USGVDPIVKJICEO-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139897119 804322243 /nfs/dbraw/zinc/32/22/43/804322243.db2.gz USGVDPIVKJICEO-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP Fc1ccc([C@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246409974 804324767 /nfs/dbraw/zinc/32/47/67/804324767.db2.gz VQSMXVXBIJBGBI-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C)c1C ZINC001246476785 804351789 /nfs/dbraw/zinc/35/17/89/804351789.db2.gz VOEIUPFIICPRSC-FRFSOERESA-N 2 2 260.425 3.485 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1cncs1 ZINC001140027677 804355742 /nfs/dbraw/zinc/35/57/42/804355742.db2.gz VELFTZQUACXGJL-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1cncs1 ZINC001140027677 804355748 /nfs/dbraw/zinc/35/57/48/804355748.db2.gz VELFTZQUACXGJL-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001140026660 804355771 /nfs/dbraw/zinc/35/57/71/804355771.db2.gz PAFXAXUDRGYFGF-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001140026660 804355779 /nfs/dbraw/zinc/35/57/79/804355779.db2.gz PAFXAXUDRGYFGF-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246496307 804360709 /nfs/dbraw/zinc/36/07/09/804360709.db2.gz LOUTZVVKZBTYJV-BZPMIXESSA-N 2 2 298.883 3.408 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246507383 804365527 /nfs/dbraw/zinc/36/55/27/804365527.db2.gz BIIFPDIJLJZQRJ-GDBMZVCRSA-N 2 2 264.413 3.109 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246520895 804374987 /nfs/dbraw/zinc/37/49/87/804374987.db2.gz ASQYNUALNGAYKE-ZDUSSCGKSA-N 2 2 284.469 3.221 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246520895 804374994 /nfs/dbraw/zinc/37/49/94/804374994.db2.gz ASQYNUALNGAYKE-ZDUSSCGKSA-N 2 2 284.469 3.221 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614550 804449042 /nfs/dbraw/zinc/44/90/42/804449042.db2.gz OELVMYKOZKRRMA-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614550 804449044 /nfs/dbraw/zinc/44/90/44/804449044.db2.gz OELVMYKOZKRRMA-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647198 804473565 /nfs/dbraw/zinc/47/35/65/804473565.db2.gz IOEIOSSRPYNYKY-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647198 804473568 /nfs/dbraw/zinc/47/35/68/804473568.db2.gz IOEIOSSRPYNYKY-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656198 804480356 /nfs/dbraw/zinc/48/03/56/804480356.db2.gz MRZRNOMZPNWEHX-QXRTWZOPSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656198 804480360 /nfs/dbraw/zinc/48/03/60/804480360.db2.gz MRZRNOMZPNWEHX-QXRTWZOPSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656193 804481123 /nfs/dbraw/zinc/48/11/23/804481123.db2.gz MRZRNOMZPNWEHX-HUHSQHJXSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656193 804481128 /nfs/dbraw/zinc/48/11/28/804481128.db2.gz MRZRNOMZPNWEHX-HUHSQHJXSA-N 2 2 270.420 3.136 20 0 CGADLP CCC[C@H](CC)[N@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246659992 804484410 /nfs/dbraw/zinc/48/44/10/804484410.db2.gz AIKTZNRECMYALW-BHYGNILZSA-N 2 2 258.409 3.136 20 0 CGADLP CCC[C@H](CC)[N@@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246659992 804484414 /nfs/dbraw/zinc/48/44/14/804484414.db2.gz AIKTZNRECMYALW-BHYGNILZSA-N 2 2 258.409 3.136 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@H]2C1 ZINC001140799854 804519025 /nfs/dbraw/zinc/51/90/25/804519025.db2.gz OKWGIFOEUKKINO-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140802117 804520732 /nfs/dbraw/zinc/52/07/32/804520732.db2.gz NTBLNVYLZQFEGN-BETUJISGSA-N 2 2 255.365 3.185 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001140802117 804520736 /nfs/dbraw/zinc/52/07/36/804520736.db2.gz NTBLNVYLZQFEGN-BETUJISGSA-N 2 2 255.365 3.185 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801326 804520950 /nfs/dbraw/zinc/52/09/50/804520950.db2.gz UCPQNWFLLBISRJ-OSAQELSMSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801326 804520954 /nfs/dbraw/zinc/52/09/54/804520954.db2.gz UCPQNWFLLBISRJ-OSAQELSMSA-N 2 2 298.352 3.245 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819549 804533462 /nfs/dbraw/zinc/53/34/62/804533462.db2.gz JOFARLUDKXLRIU-WCVJEAGWSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819549 804533467 /nfs/dbraw/zinc/53/34/67/804533467.db2.gz JOFARLUDKXLRIU-WCVJEAGWSA-N 2 2 264.457 3.418 20 0 CGADLP Clc1cccc2c1CC[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246844681 804553683 /nfs/dbraw/zinc/55/36/83/804553683.db2.gz BLKISMREVMUPFG-AWEZNQCLSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1cccc2c1CC[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246844681 804553685 /nfs/dbraw/zinc/55/36/85/804553685.db2.gz BLKISMREVMUPFG-AWEZNQCLSA-N 2 2 290.838 3.373 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cc2[nH+]1 ZINC001141046084 804578632 /nfs/dbraw/zinc/57/86/32/804578632.db2.gz LMZRCNAWOMFIQQ-CABCVRRESA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2[nH+]1 ZINC001141046084 804578636 /nfs/dbraw/zinc/57/86/36/804578636.db2.gz LMZRCNAWOMFIQQ-CABCVRRESA-N 2 2 255.365 3.099 20 0 CGADLP CC[N@H+](CC[NH2+]C)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246891696 804583878 /nfs/dbraw/zinc/58/38/78/804583878.db2.gz OEQHGIONHAKXGJ-LLVKDONJSA-N 2 2 289.250 3.466 20 0 CGADLP CC[N@@H+](CC[NH2+]C)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246891696 804583881 /nfs/dbraw/zinc/58/38/81/804583881.db2.gz OEQHGIONHAKXGJ-LLVKDONJSA-N 2 2 289.250 3.466 20 0 CGADLP C[N@H+](CCC1CC1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244609 804623945 /nfs/dbraw/zinc/62/39/45/804623945.db2.gz QXIQKSHNLQDSOD-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[N@@H+](CCC1CC1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244609 804623951 /nfs/dbraw/zinc/62/39/51/804623951.db2.gz QXIQKSHNLQDSOD-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856661 804675795 /nfs/dbraw/zinc/67/57/95/804675795.db2.gz KWLAZGKCAFRGTO-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856661 804675797 /nfs/dbraw/zinc/67/57/97/804675797.db2.gz KWLAZGKCAFRGTO-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856661 804675800 /nfs/dbraw/zinc/67/58/00/804675800.db2.gz KWLAZGKCAFRGTO-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856661 804675803 /nfs/dbraw/zinc/67/58/03/804675803.db2.gz KWLAZGKCAFRGTO-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256832067 806990591 /nfs/dbraw/zinc/99/05/91/806990591.db2.gz WCTKJPQCDVCZMN-ZWKOTPCHSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256832067 806990594 /nfs/dbraw/zinc/99/05/94/806990594.db2.gz WCTKJPQCDVCZMN-ZWKOTPCHSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252737 804962020 /nfs/dbraw/zinc/96/20/20/804962020.db2.gz VUHUHPPLWRYZHV-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252737 804962025 /nfs/dbraw/zinc/96/20/25/804962025.db2.gz VUHUHPPLWRYZHV-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252737 804962029 /nfs/dbraw/zinc/96/20/29/804962029.db2.gz VUHUHPPLWRYZHV-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252737 804962034 /nfs/dbraw/zinc/96/20/34/804962034.db2.gz VUHUHPPLWRYZHV-PKOBYXMFSA-N 2 2 295.430 3.003 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(Nc2c[nH+]c(N)c(C)c2)cc1 ZINC001249787524 805246695 /nfs/dbraw/zinc/24/66/95/805246695.db2.gz MREQATJWBOXQSM-UHFFFAOYSA-N 2 2 279.347 3.210 20 0 CGADLP Cc1cc(NCC2CC[NH+](C(C)C)CC2)c[nH+]c1C ZINC001166615603 807068344 /nfs/dbraw/zinc/06/83/44/807068344.db2.gz FUFBXBGBMKPRBP-UHFFFAOYSA-N 2 2 261.413 3.231 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257475099 807173276 /nfs/dbraw/zinc/17/32/76/807173276.db2.gz JNMCPFAJKMCVEG-ZACQAIPSSA-N 2 2 296.499 3.434 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257475099 807173281 /nfs/dbraw/zinc/17/32/81/807173281.db2.gz JNMCPFAJKMCVEG-ZACQAIPSSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc2c(cc[nH+]c2NCc2cc[nH+]c(N)c2)c1 ZINC001167613677 807214776 /nfs/dbraw/zinc/21/47/76/807214776.db2.gz LSNQZOHMDVGIRL-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP COc1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]c1C ZINC001167753979 807243303 /nfs/dbraw/zinc/24/33/03/807243303.db2.gz NUAPJRMWSHGAPE-ZDUSSCGKSA-N 2 2 277.412 3.075 20 0 CGADLP COc1ccc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]c1C ZINC001167753979 807243306 /nfs/dbraw/zinc/24/33/06/807243306.db2.gz NUAPJRMWSHGAPE-ZDUSSCGKSA-N 2 2 277.412 3.075 20 0 CGADLP [NH3+]CCc1[nH+]ccn1C1CCC(c2ccccc2)CC1 ZINC001257989066 807260096 /nfs/dbraw/zinc/26/00/96/807260096.db2.gz DSRLHTJQCMXQAF-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001258052759 807278276 /nfs/dbraw/zinc/27/82/76/807278276.db2.gz RSOVIFDXHUSSCB-GJZGRUSLSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@H]1CC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@H](C)C1 ZINC001258167018 807332385 /nfs/dbraw/zinc/33/23/85/807332385.db2.gz FLELXTBCLNBDFO-MGPQQGTHSA-N 2 2 261.413 3.347 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1F ZINC001168358266 807391596 /nfs/dbraw/zinc/39/15/96/807391596.db2.gz OWMCCAGFKWHVSY-UHFFFAOYSA-N 2 2 294.389 3.237 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258328452 807412165 /nfs/dbraw/zinc/41/21/65/807412165.db2.gz BRKZGHQKQZJIRH-XJKSGUPXSA-N 2 2 292.492 3.292 20 0 CGADLP CSC(C)(C)C[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258328452 807412168 /nfs/dbraw/zinc/41/21/68/807412168.db2.gz BRKZGHQKQZJIRH-XJKSGUPXSA-N 2 2 292.492 3.292 20 0 CGADLP CC[N@H+]([C@H](C)CC(C)(C)SC)C1CC[NH+](C)CC1 ZINC001258342929 807420419 /nfs/dbraw/zinc/42/04/19/807420419.db2.gz OYMIUCJIUMEVCJ-CYBMUJFWSA-N 2 2 272.502 3.323 20 0 CGADLP CC[N@@H+]([C@H](C)CC(C)(C)SC)C1CC[NH+](C)CC1 ZINC001258342929 807420424 /nfs/dbraw/zinc/42/04/24/807420424.db2.gz OYMIUCJIUMEVCJ-CYBMUJFWSA-N 2 2 272.502 3.323 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001168494855 807436563 /nfs/dbraw/zinc/43/65/63/807436563.db2.gz DNJMPCQDNOSXIC-CQSZACIVSA-N 2 2 287.382 3.290 20 0 CGADLP COc1ccc(CC[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001258397521 807438311 /nfs/dbraw/zinc/43/83/11/807438311.db2.gz IBMGHKJYJYAAAN-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP COc1ccc(CC[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001258397521 807438313 /nfs/dbraw/zinc/43/83/13/807438313.db2.gz IBMGHKJYJYAAAN-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP Cc1cc[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c1C ZINC001168543882 807442238 /nfs/dbraw/zinc/44/22/38/807442238.db2.gz GIHRLJFJHOXANV-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[NH+](C)C ZINC001168601792 807454386 /nfs/dbraw/zinc/45/43/86/807454386.db2.gz WBLDPHUMMQDZDC-RDJZCZTQSA-N 2 2 275.440 3.346 20 0 CGADLP C[C@@H](CC1CC1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258460368 807464302 /nfs/dbraw/zinc/46/43/02/807464302.db2.gz CEWWNOMMJKPYBW-ZDUSSCGKSA-N 2 2 260.381 3.113 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675103 807472840 /nfs/dbraw/zinc/47/28/40/807472840.db2.gz DASGQISHQXGQST-HNNXBMFYSA-N 2 2 292.854 3.129 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001258701383 807556381 /nfs/dbraw/zinc/55/63/81/807556381.db2.gz IBORCYAXWOOFDT-RDJZCZTQSA-N 2 2 262.441 3.328 20 0 CGADLP CC[C@H](C[C@@H](C)CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258790895 807615709 /nfs/dbraw/zinc/61/57/09/807615709.db2.gz OANAAOOLPDCQFW-GXTWGEPZSA-N 2 2 263.429 3.267 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001169264539 807618275 /nfs/dbraw/zinc/61/82/75/807618275.db2.gz HKECDHSYVNQADI-KRWDZBQOSA-N 2 2 273.424 3.011 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001169264539 807618277 /nfs/dbraw/zinc/61/82/77/807618277.db2.gz HKECDHSYVNQADI-KRWDZBQOSA-N 2 2 273.424 3.011 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258797390 807619472 /nfs/dbraw/zinc/61/94/72/807619472.db2.gz MHENJNKJVUYORM-LSDHHAIUSA-N 2 2 251.418 3.420 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258797390 807619477 /nfs/dbraw/zinc/61/94/77/807619477.db2.gz MHENJNKJVUYORM-LSDHHAIUSA-N 2 2 251.418 3.420 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001258802512 807623525 /nfs/dbraw/zinc/62/35/25/807623525.db2.gz QHWPWHKXJQCLDT-GPANFISMSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001258802512 807623528 /nfs/dbraw/zinc/62/35/28/807623528.db2.gz QHWPWHKXJQCLDT-GPANFISMSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@@H](Cc1ccccc1)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258846574 807656580 /nfs/dbraw/zinc/65/65/80/807656580.db2.gz RPXCRQCMJOKUJL-INIZCTEOSA-N 2 2 283.419 3.074 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1cccc(Cc2ccncc2)[nH+]1 ZINC001169718811 807697885 /nfs/dbraw/zinc/69/78/85/807697885.db2.gz YOOJWNRFWLUKNQ-UHFFFAOYSA-N 2 2 298.434 3.210 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NC(C)(C)CC[NH+](C)C)c1 ZINC001169718453 807697963 /nfs/dbraw/zinc/69/79/63/807697963.db2.gz NKXPEUSRXARVNT-UHFFFAOYSA-N 2 2 286.423 3.229 20 0 CGADLP Cc1ccc2c(cccc2N(C)c2cc(N)cc[nH+]2)[nH+]1 ZINC001212796955 815142105 /nfs/dbraw/zinc/14/21/05/815142105.db2.gz OKXZFVJFRVHMNC-UHFFFAOYSA-N 2 2 264.332 3.288 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170250281 807804150 /nfs/dbraw/zinc/80/41/50/807804150.db2.gz JHNZXXMEOFURCP-UONOGXRCSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001170250282 807804706 /nfs/dbraw/zinc/80/47/06/807804706.db2.gz JHNZXXMEOFURCP-ZIAGYGMSSA-N 2 2 280.843 3.345 20 0 CGADLP C[NH+]1C(C)(C)CC(Nc2ccn3cc[nH+]c3c2)CC1(C)C ZINC001170450920 807845589 /nfs/dbraw/zinc/84/55/89/807845589.db2.gz NXHXWAJCYBUWGC-UHFFFAOYSA-N 2 2 286.423 3.398 20 0 CGADLP Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001170978182 807950396 /nfs/dbraw/zinc/95/03/96/807950396.db2.gz UBKHQCBNGCTZIA-HNNXBMFYSA-N 2 2 295.361 3.121 20 0 CGADLP Fc1cccc2c1CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171437988 808056115 /nfs/dbraw/zinc/05/61/15/808056115.db2.gz OOGCKGKLSQYVNR-CABCVRRESA-N 2 2 299.393 3.219 20 0 CGADLP c1cn([C@@H]2CSc3ccccc3C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001172206587 808199168 /nfs/dbraw/zinc/19/91/68/808199168.db2.gz SDMBXAYQFMBXSB-CABCVRRESA-N 2 2 299.443 3.240 20 0 CGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001172256432 808210296 /nfs/dbraw/zinc/21/02/96/808210296.db2.gz WEKMPIVHOBMJTP-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001172256432 808210302 /nfs/dbraw/zinc/21/03/02/808210302.db2.gz WEKMPIVHOBMJTP-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172324400 808232575 /nfs/dbraw/zinc/23/25/75/808232575.db2.gz MIEIOUMPIHYKEP-BBWFWOEESA-N 2 2 284.488 3.290 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC001172838976 808455483 /nfs/dbraw/zinc/45/54/83/808455483.db2.gz NQCUCVSLWYIBDI-LBPRGKRZSA-N 2 2 295.789 3.287 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC001172855126 808463365 /nfs/dbraw/zinc/46/33/65/808463365.db2.gz VSAGINCXLGLGDP-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001173094282 808506861 /nfs/dbraw/zinc/50/68/61/808506861.db2.gz UGSZUJUTKRBCBW-ADKAHSJRSA-N 2 2 294.483 3.188 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001173094282 808506868 /nfs/dbraw/zinc/50/68/68/808506868.db2.gz UGSZUJUTKRBCBW-ADKAHSJRSA-N 2 2 294.483 3.188 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001173236630 808545721 /nfs/dbraw/zinc/54/57/21/808545721.db2.gz BDHRFHFINUWZMY-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC001173236630 808545726 /nfs/dbraw/zinc/54/57/26/808545726.db2.gz BDHRFHFINUWZMY-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001173251888 808559556 /nfs/dbraw/zinc/55/95/56/808559556.db2.gz FKPCSBMWKLSPCP-HNNXBMFYSA-N 2 2 284.403 3.244 20 0 CGADLP CC[C@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001173285237 808586110 /nfs/dbraw/zinc/58/61/10/808586110.db2.gz VHNCRIDUNDUKCM-DZGCQCFKSA-N 2 2 291.414 3.358 20 0 CGADLP Cc1cccc2c1[nH+]c(N)n2-c1cc[nH+]c2ccccc21 ZINC001174037569 808835554 /nfs/dbraw/zinc/83/55/54/808835554.db2.gz VXLUUHZMKMKEBL-UHFFFAOYSA-N 2 2 274.327 3.464 20 0 CGADLP CC(C)(C)C[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275050678 808900652 /nfs/dbraw/zinc/90/06/52/808900652.db2.gz HPWGHHOPPZQIPM-UHFFFAOYSA-N 2 2 292.389 3.383 20 0 CGADLP CC(C)(C)C[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275050678 808900660 /nfs/dbraw/zinc/90/06/60/808900660.db2.gz HPWGHHOPPZQIPM-UHFFFAOYSA-N 2 2 292.389 3.383 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1F ZINC001276305034 809000710 /nfs/dbraw/zinc/00/07/10/809000710.db2.gz WPJUKEHDFKHXON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1F ZINC001276305034 809000715 /nfs/dbraw/zinc/00/07/15/809000715.db2.gz WPJUKEHDFKHXON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1F ZINC001276305034 809000722 /nfs/dbraw/zinc/00/07/22/809000722.db2.gz WPJUKEHDFKHXON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1F ZINC001276305034 809000730 /nfs/dbraw/zinc/00/07/30/809000730.db2.gz WPJUKEHDFKHXON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001175964514 809584381 /nfs/dbraw/zinc/58/43/81/809584381.db2.gz JYZRTBPRBMMNSN-UHFFFAOYSA-N 2 2 282.391 3.274 20 0 CGADLP Cc1ccc(Nc2ccc(OCC[NH+](C)C)cc2)[nH+]c1 ZINC001176222365 809650158 /nfs/dbraw/zinc/65/01/58/809650158.db2.gz ARDPQNYIWWTERX-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP Cc1cc2cc(C[NH2+]CCCn3cc[nH+]c3)oc2cc1C ZINC001177104153 809780991 /nfs/dbraw/zinc/78/09/91/809780991.db2.gz LJTOFLSSLVBFDI-UHFFFAOYSA-N 2 2 283.375 3.426 20 0 CGADLP CC(C)COc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC001179266280 809911718 /nfs/dbraw/zinc/91/17/18/809911718.db2.gz KZVZWMKXLQFXGZ-OAHLLOKOSA-N 2 2 278.440 3.151 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC001181234903 810043433 /nfs/dbraw/zinc/04/34/33/810043433.db2.gz PSNACHMVASKSAQ-UHFFFAOYSA-N 2 2 289.467 3.198 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC001181234903 810043438 /nfs/dbraw/zinc/04/34/38/810043438.db2.gz PSNACHMVASKSAQ-UHFFFAOYSA-N 2 2 289.467 3.198 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182874872 810128460 /nfs/dbraw/zinc/12/84/60/810128460.db2.gz VCJORMWWVDDUAP-AEFFLSMTSA-N 2 2 286.463 3.426 20 0 CGADLP CCNc1ccccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364949 810195814 /nfs/dbraw/zinc/19/58/14/810195814.db2.gz ZZGVSVHJDNUCPP-UHFFFAOYSA-N 2 2 298.434 3.232 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001201429799 811842988 /nfs/dbraw/zinc/84/29/88/811842988.db2.gz WYIDLUBNSCLJPZ-CVEARBPZSA-N 2 2 272.392 3.199 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001201429799 811842999 /nfs/dbraw/zinc/84/29/99/811842999.db2.gz WYIDLUBNSCLJPZ-CVEARBPZSA-N 2 2 272.392 3.199 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)o2)CC1 ZINC001203300286 812301391 /nfs/dbraw/zinc/30/13/91/812301391.db2.gz FTUPOFJUEQRKTE-UHFFFAOYSA-N 2 2 264.413 3.284 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)o2)CC1 ZINC001203300286 812301399 /nfs/dbraw/zinc/30/13/99/812301399.db2.gz FTUPOFJUEQRKTE-UHFFFAOYSA-N 2 2 264.413 3.284 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001203661267 812421342 /nfs/dbraw/zinc/42/13/42/812421342.db2.gz UAFAOGRZOOUCPT-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001204292549 812601149 /nfs/dbraw/zinc/60/11/49/812601149.db2.gz GIIKVRRJSMEPEN-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001204292549 812601154 /nfs/dbraw/zinc/60/11/54/812601154.db2.gz GIIKVRRJSMEPEN-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001204292549 812601157 /nfs/dbraw/zinc/60/11/57/812601157.db2.gz GIIKVRRJSMEPEN-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001204292549 812601162 /nfs/dbraw/zinc/60/11/62/812601162.db2.gz GIIKVRRJSMEPEN-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1C(C)C ZINC001204792698 812737997 /nfs/dbraw/zinc/73/79/97/812737997.db2.gz YSRQECOZQJBGSY-QGZVFWFLSA-N 2 2 276.424 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1C(C)C ZINC001204792698 812738005 /nfs/dbraw/zinc/73/80/05/812738005.db2.gz YSRQECOZQJBGSY-QGZVFWFLSA-N 2 2 276.424 3.050 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2SC)C1 ZINC001205018775 812827879 /nfs/dbraw/zinc/82/78/79/812827879.db2.gz ZAVAEDRXIUOPRN-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2SC)C1 ZINC001205018775 812827888 /nfs/dbraw/zinc/82/78/88/812827888.db2.gz ZAVAEDRXIUOPRN-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205101455 812865435 /nfs/dbraw/zinc/86/54/35/812865435.db2.gz FSLDBWHRSQZFJQ-CYBMUJFWSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205101455 812865445 /nfs/dbraw/zinc/86/54/45/812865445.db2.gz FSLDBWHRSQZFJQ-CYBMUJFWSA-N 2 2 297.240 3.071 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@H]1C[NH3+] ZINC001205306530 812943892 /nfs/dbraw/zinc/94/38/92/812943892.db2.gz WUJSPLTYRVQXRU-NEPJUHHUSA-N 2 2 291.826 3.238 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@@H]1C[NH3+] ZINC001205306530 812943895 /nfs/dbraw/zinc/94/38/95/812943895.db2.gz WUJSPLTYRVQXRU-NEPJUHHUSA-N 2 2 291.826 3.238 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205331245 812959490 /nfs/dbraw/zinc/95/94/90/812959490.db2.gz GCTQVDZXAWODRI-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205331245 812959495 /nfs/dbraw/zinc/95/94/95/812959495.db2.gz GCTQVDZXAWODRI-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205842852 813104007 /nfs/dbraw/zinc/10/40/07/813104007.db2.gz PQKRICNAAXLTKB-RDTXWAMCSA-N 2 2 298.430 3.408 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205842852 813104012 /nfs/dbraw/zinc/10/40/12/813104012.db2.gz PQKRICNAAXLTKB-RDTXWAMCSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852047 813108345 /nfs/dbraw/zinc/10/83/45/813108345.db2.gz DRSVXDRUQLEISQ-CJNGLKHVSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852047 813108347 /nfs/dbraw/zinc/10/83/47/813108347.db2.gz DRSVXDRUQLEISQ-CJNGLKHVSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902614 813124704 /nfs/dbraw/zinc/12/47/04/813124704.db2.gz KXTBHHFVTUDCJN-NEPJUHHUSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902614 813124709 /nfs/dbraw/zinc/12/47/09/813124709.db2.gz KXTBHHFVTUDCJN-NEPJUHHUSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903511 813125987 /nfs/dbraw/zinc/12/59/87/813125987.db2.gz PTJZLJSCNFYWOY-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903511 813125993 /nfs/dbraw/zinc/12/59/93/813125993.db2.gz PTJZLJSCNFYWOY-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205932277 813139322 /nfs/dbraw/zinc/13/93/22/813139322.db2.gz PPAPRJRZGAVDTC-CYBMUJFWSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205932277 813139324 /nfs/dbraw/zinc/13/93/24/813139324.db2.gz PPAPRJRZGAVDTC-CYBMUJFWSA-N 2 2 277.799 3.135 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205933088 813140557 /nfs/dbraw/zinc/14/05/57/813140557.db2.gz XSBYNEWZUYLIJU-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205933088 813140561 /nfs/dbraw/zinc/14/05/61/813140561.db2.gz XSBYNEWZUYLIJU-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)s1 ZINC001206043697 813179746 /nfs/dbraw/zinc/17/97/46/813179746.db2.gz SDCNGFVCQDZTBQ-IUODEOHRSA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)s1 ZINC001206043697 813179750 /nfs/dbraw/zinc/17/97/50/813179750.db2.gz SDCNGFVCQDZTBQ-IUODEOHRSA-N 2 2 266.454 3.260 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ocnc4c3)c2)C1 ZINC001242598015 823053986 /nfs/dbraw/zinc/05/39/86/823053986.db2.gz IKYNAOVQPWKLKD-MRXNPFEDSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4ocnc4c3)c2)C1 ZINC001242598015 823053991 /nfs/dbraw/zinc/05/39/91/823053991.db2.gz IKYNAOVQPWKLKD-MRXNPFEDSA-N 2 2 293.370 3.028 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001206711053 813404253 /nfs/dbraw/zinc/40/42/53/813404253.db2.gz DOWRNNILKZMUEE-UHFFFAOYSA-N 2 2 296.414 3.046 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccn2)C2CCCCC2)n1C ZINC001206794633 813438379 /nfs/dbraw/zinc/43/83/79/813438379.db2.gz DINCANSUYDSRRA-UHFFFAOYSA-N 2 2 298.434 3.458 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccn2)C2CCCCC2)n1C ZINC001206794633 813438380 /nfs/dbraw/zinc/43/83/80/813438380.db2.gz DINCANSUYDSRRA-UHFFFAOYSA-N 2 2 298.434 3.458 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCCO1 ZINC001207186620 813509934 /nfs/dbraw/zinc/50/99/34/813509934.db2.gz XLYXONXLKZPGOS-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCCO1 ZINC001207186620 813509941 /nfs/dbraw/zinc/50/99/41/813509941.db2.gz XLYXONXLKZPGOS-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@H+](CCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207263200 813525098 /nfs/dbraw/zinc/52/50/98/813525098.db2.gz WLMAZERJPLZBAN-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP CC[N@@H+](CCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207263200 813525102 /nfs/dbraw/zinc/52/51/02/813525102.db2.gz WLMAZERJPLZBAN-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP CC[N@H+](CCCc1ccc(Cl)cc1)CCn1cc[nH+]c1 ZINC001207597737 813605677 /nfs/dbraw/zinc/60/56/77/813605677.db2.gz OMMXDRJPFZUKMB-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP CC[N@@H+](CCCc1ccc(Cl)cc1)CCn1cc[nH+]c1 ZINC001207597737 813605682 /nfs/dbraw/zinc/60/56/82/813605682.db2.gz OMMXDRJPFZUKMB-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]21 ZINC001207615075 813614672 /nfs/dbraw/zinc/61/46/72/813614672.db2.gz MZOCRGVFKJCIFJ-QZTJIDSGSA-N 2 2 272.436 3.035 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]21 ZINC001207615075 813614678 /nfs/dbraw/zinc/61/46/78/813614678.db2.gz MZOCRGVFKJCIFJ-QZTJIDSGSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615075 813614686 /nfs/dbraw/zinc/61/46/86/813614686.db2.gz MZOCRGVFKJCIFJ-QZTJIDSGSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615075 813614693 /nfs/dbraw/zinc/61/46/93/813614693.db2.gz MZOCRGVFKJCIFJ-QZTJIDSGSA-N 2 2 272.436 3.035 20 0 CGADLP c1cc(OC2CC[NH+](CC3CCSCC3)CC2)cc[nH+]1 ZINC001207696592 813637981 /nfs/dbraw/zinc/63/79/81/813637981.db2.gz IVIJSNQTKRMRQJ-UHFFFAOYSA-N 2 2 292.448 3.068 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H]1CCC(C)=C[C@H]1C ZINC001208169399 813722625 /nfs/dbraw/zinc/72/26/25/813722625.db2.gz OWXGKYFBNVZAIT-HZPDHXFCSA-N 2 2 261.413 3.197 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCC(C)=C[C@H]1C ZINC001208169399 813722627 /nfs/dbraw/zinc/72/26/27/813722627.db2.gz OWXGKYFBNVZAIT-HZPDHXFCSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171740 813725464 /nfs/dbraw/zinc/72/54/64/813725464.db2.gz XBJQFGKNGFKCEG-MHORFTMASA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171740 813725471 /nfs/dbraw/zinc/72/54/71/813725471.db2.gz XBJQFGKNGFKCEG-MHORFTMASA-N 2 2 294.458 3.487 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C2 ZINC001208655727 813782332 /nfs/dbraw/zinc/78/23/32/813782332.db2.gz STPDHSKTJZNDLG-CYBMUJFWSA-N 2 2 263.429 3.470 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CC[C@@H](C)CC(C)(C)C)C2 ZINC001208655727 813782333 /nfs/dbraw/zinc/78/23/33/813782333.db2.gz STPDHSKTJZNDLG-CYBMUJFWSA-N 2 2 263.429 3.470 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c2c1 ZINC001209499248 814064517 /nfs/dbraw/zinc/06/45/17/814064517.db2.gz LMHFCHKPBZEBBW-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c2c1 ZINC001209499248 814064524 /nfs/dbraw/zinc/06/45/24/814064524.db2.gz LMHFCHKPBZEBBW-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c2c1 ZINC001209499248 814064530 /nfs/dbraw/zinc/06/45/30/814064530.db2.gz LMHFCHKPBZEBBW-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c2c1 ZINC001209499248 814064534 /nfs/dbraw/zinc/06/45/34/814064534.db2.gz LMHFCHKPBZEBBW-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222190478 816370492 /nfs/dbraw/zinc/37/04/92/816370492.db2.gz CBZYHQLVNCCIGT-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222190478 816370503 /nfs/dbraw/zinc/37/05/03/816370503.db2.gz CBZYHQLVNCCIGT-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222264894 816391175 /nfs/dbraw/zinc/39/11/75/816391175.db2.gz KIYGRSRQSFVFQJ-SFHVURJKSA-N 2 2 289.467 3.278 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222264894 816391181 /nfs/dbraw/zinc/39/11/81/816391181.db2.gz KIYGRSRQSFVFQJ-SFHVURJKSA-N 2 2 289.467 3.278 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222344848 816414057 /nfs/dbraw/zinc/41/40/57/816414057.db2.gz DTCBEIZANFEABN-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222344848 816414059 /nfs/dbraw/zinc/41/40/59/816414059.db2.gz DTCBEIZANFEABN-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222344849 816414164 /nfs/dbraw/zinc/41/41/64/816414164.db2.gz DTCBEIZANFEABN-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222344849 816414167 /nfs/dbraw/zinc/41/41/67/816414167.db2.gz DTCBEIZANFEABN-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001242992293 823201059 /nfs/dbraw/zinc/20/10/59/823201059.db2.gz MIKWQHKMQPZSCF-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001242999335 823205641 /nfs/dbraw/zinc/20/56/41/823205641.db2.gz KBPMMQMODZZJSS-UHFFFAOYSA-N 2 2 281.334 3.398 20 0 CGADLP Cc1cc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)cc(C)[nH+]1 ZINC001223423776 816627550 /nfs/dbraw/zinc/62/75/50/816627550.db2.gz CQVBWWOHGZYRPZ-WKILWMFISA-N 2 2 262.397 3.088 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Oc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001225296444 817000589 /nfs/dbraw/zinc/00/05/89/817000589.db2.gz VNUJQMSYVINBFF-YTQUADARSA-N 2 2 294.398 3.371 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Oc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC001225296444 817000599 /nfs/dbraw/zinc/00/05/99/817000599.db2.gz VNUJQMSYVINBFF-YTQUADARSA-N 2 2 294.398 3.371 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)no1 ZINC001232011193 818232502 /nfs/dbraw/zinc/23/25/02/818232502.db2.gz IYYOWXLVJNAKFF-INIZCTEOSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)no1 ZINC001232011193 818232506 /nfs/dbraw/zinc/23/25/06/818232506.db2.gz IYYOWXLVJNAKFF-INIZCTEOSA-N 2 2 282.347 3.196 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1OC ZINC001232501740 818375084 /nfs/dbraw/zinc/37/50/84/818375084.db2.gz DEHVTGWBUCINPY-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1OC ZINC001232501740 818375089 /nfs/dbraw/zinc/37/50/89/818375089.db2.gz DEHVTGWBUCINPY-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc(C)c1O ZINC001243307880 823337817 /nfs/dbraw/zinc/33/78/17/823337817.db2.gz JGBIXIRKBCEHDJ-KRWDZBQOSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc(C)c1O ZINC001243307880 823337823 /nfs/dbraw/zinc/33/78/23/823337823.db2.gz JGBIXIRKBCEHDJ-KRWDZBQOSA-N 2 2 296.414 3.209 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2cccnc2s1 ZINC001233349679 818593801 /nfs/dbraw/zinc/59/38/01/818593801.db2.gz CPSGECNLZRBJDW-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2cccnc2s1 ZINC001233349679 818593808 /nfs/dbraw/zinc/59/38/08/818593808.db2.gz CPSGECNLZRBJDW-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234067275 818771993 /nfs/dbraw/zinc/77/19/93/818771993.db2.gz QXEYWXFIOZCVOI-HNNXBMFYSA-N 2 2 285.391 3.255 20 0 CGADLP CC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234067275 818771997 /nfs/dbraw/zinc/77/19/97/818771997.db2.gz QXEYWXFIOZCVOI-HNNXBMFYSA-N 2 2 285.391 3.255 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001234586462 818886450 /nfs/dbraw/zinc/88/64/50/818886450.db2.gz VJTXOQXPSCOLDY-MIFYACCESA-N 2 2 288.391 3.052 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001234586462 818886457 /nfs/dbraw/zinc/88/64/57/818886457.db2.gz VJTXOQXPSCOLDY-MIFYACCESA-N 2 2 288.391 3.052 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001234992316 818970576 /nfs/dbraw/zinc/97/05/76/818970576.db2.gz IGDXFXCNOAMRFT-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC001234992316 818970585 /nfs/dbraw/zinc/97/05/85/818970585.db2.gz IGDXFXCNOAMRFT-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006974 818978454 /nfs/dbraw/zinc/97/84/54/818978454.db2.gz NGYZIQYMZWTRTQ-GXTWGEPZSA-N 2 2 272.417 3.003 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006974 818978458 /nfs/dbraw/zinc/97/84/58/818978458.db2.gz NGYZIQYMZWTRTQ-GXTWGEPZSA-N 2 2 272.417 3.003 20 0 CGADLP CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016872 818980511 /nfs/dbraw/zinc/98/05/11/818980511.db2.gz CZVRGQHIYNNRCV-UHFFFAOYSA-N 2 2 294.196 3.087 20 0 CGADLP CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235016872 818980517 /nfs/dbraw/zinc/98/05/17/818980517.db2.gz CZVRGQHIYNNRCV-UHFFFAOYSA-N 2 2 294.196 3.087 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038029 818986985 /nfs/dbraw/zinc/98/69/85/818986985.db2.gz LMTASGFYVLOZIP-MYIWKSEUSA-N 2 2 250.430 3.339 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038029 818986990 /nfs/dbraw/zinc/98/69/90/818986990.db2.gz LMTASGFYVLOZIP-MYIWKSEUSA-N 2 2 250.430 3.339 20 0 CGADLP Oc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042389 818988840 /nfs/dbraw/zinc/98/88/40/818988840.db2.gz BDXDJGYXJXMHIR-MRXNPFEDSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042389 818988845 /nfs/dbraw/zinc/98/88/45/818988845.db2.gz BDXDJGYXJXMHIR-MRXNPFEDSA-N 2 2 294.826 3.154 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235073652 818994520 /nfs/dbraw/zinc/99/45/20/818994520.db2.gz UCDGGLWJJVXQED-HUUCEWRRSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235073652 818994528 /nfs/dbraw/zinc/99/45/28/818994528.db2.gz UCDGGLWJJVXQED-HUUCEWRRSA-N 2 2 298.352 3.074 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235066690 818994956 /nfs/dbraw/zinc/99/49/56/818994956.db2.gz UNXLFFLPIFVUHG-SFHVURJKSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235066690 818994965 /nfs/dbraw/zinc/99/49/65/818994965.db2.gz UNXLFFLPIFVUHG-SFHVURJKSA-N 2 2 266.388 3.086 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235109158 819005923 /nfs/dbraw/zinc/00/59/23/819005923.db2.gz GFTPYVAXCIDVFI-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235109158 819005928 /nfs/dbraw/zinc/00/59/28/819005928.db2.gz GFTPYVAXCIDVFI-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113480 819008685 /nfs/dbraw/zinc/00/86/85/819008685.db2.gz CMXMPDCEUFVQOA-QZTJIDSGSA-N 2 2 294.483 3.213 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113480 819008692 /nfs/dbraw/zinc/00/86/92/819008692.db2.gz CMXMPDCEUFVQOA-QZTJIDSGSA-N 2 2 294.483 3.213 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235190646 819030698 /nfs/dbraw/zinc/03/06/98/819030698.db2.gz YUJHTMXVNMPKOA-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235190646 819030705 /nfs/dbraw/zinc/03/07/05/819030705.db2.gz YUJHTMXVNMPKOA-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235254365 819051762 /nfs/dbraw/zinc/05/17/62/819051762.db2.gz BKUZKEWDEHCSRR-PKOBYXMFSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235254365 819051770 /nfs/dbraw/zinc/05/17/70/819051770.db2.gz BKUZKEWDEHCSRR-PKOBYXMFSA-N 2 2 296.389 3.286 20 0 CGADLP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCC[NH2+]C1 ZINC001235342699 819071730 /nfs/dbraw/zinc/07/17/30/819071730.db2.gz OUNHPZNYBKUUPE-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCC[NH2+]C1 ZINC001235342699 819071735 /nfs/dbraw/zinc/07/17/35/819071735.db2.gz OUNHPZNYBKUUPE-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235346621 819075364 /nfs/dbraw/zinc/07/53/64/819075364.db2.gz IPFRUHLSFCORMJ-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001235346621 819075369 /nfs/dbraw/zinc/07/53/69/819075369.db2.gz IPFRUHLSFCORMJ-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362000 819077649 /nfs/dbraw/zinc/07/76/49/819077649.db2.gz JJBYLXAZBMENNJ-INIZCTEOSA-N 2 2 299.393 3.127 20 0 CGADLP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362000 819077652 /nfs/dbraw/zinc/07/76/52/819077652.db2.gz JJBYLXAZBMENNJ-INIZCTEOSA-N 2 2 299.393 3.127 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399645 819084445 /nfs/dbraw/zinc/08/44/45/819084445.db2.gz ALHUXUYKVRFVFJ-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399645 819084449 /nfs/dbraw/zinc/08/44/49/819084449.db2.gz ALHUXUYKVRFVFJ-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235724706 819154005 /nfs/dbraw/zinc/15/40/05/819154005.db2.gz HPBNGZHLMXHPHB-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235724706 819154010 /nfs/dbraw/zinc/15/40/10/819154010.db2.gz HPBNGZHLMXHPHB-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cccc(C)c2OC(C)C)CC1 ZINC001235727548 819155487 /nfs/dbraw/zinc/15/54/87/819155487.db2.gz YQTFSSUFYOMVAC-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC001235738491 819157576 /nfs/dbraw/zinc/15/75/76/819157576.db2.gz DHQCSCCSRCUPBD-QGZVFWFLSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC001235738491 819157583 /nfs/dbraw/zinc/15/75/83/819157583.db2.gz DHQCSCCSRCUPBD-QGZVFWFLSA-N 2 2 280.415 3.456 20 0 CGADLP CCOc1cc(C[N@H+](CC)C2CC[NH+](C)CC2)ccc1F ZINC001235800345 819170376 /nfs/dbraw/zinc/17/03/76/819170376.db2.gz LVVSHTRJENDBQZ-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(C[N@@H+](CC)C2CC[NH+](C)CC2)ccc1F ZINC001235800345 819170379 /nfs/dbraw/zinc/17/03/79/819170379.db2.gz LVVSHTRJENDBQZ-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907740 819216761 /nfs/dbraw/zinc/21/67/61/819216761.db2.gz SUPMNBIDPQTGOU-JSGCOSHPSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907740 819216768 /nfs/dbraw/zinc/21/67/68/819216768.db2.gz SUPMNBIDPQTGOU-JSGCOSHPSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908529 819217026 /nfs/dbraw/zinc/21/70/26/819217026.db2.gz YCSVXHAPFLDEMY-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908529 819217032 /nfs/dbraw/zinc/21/70/32/819217032.db2.gz YCSVXHAPFLDEMY-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1F ZINC001235909532 819219425 /nfs/dbraw/zinc/21/94/25/819219425.db2.gz FDYZTYUHRLUGFT-JKSUJKDBSA-N 2 2 298.361 3.457 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1F ZINC001235909532 819219426 /nfs/dbraw/zinc/21/94/26/819219426.db2.gz FDYZTYUHRLUGFT-JKSUJKDBSA-N 2 2 298.361 3.457 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235935374 819233067 /nfs/dbraw/zinc/23/30/67/819233067.db2.gz DKGVUQMEGPJGPR-VXGBXAGGSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235935374 819233073 /nfs/dbraw/zinc/23/30/73/819233073.db2.gz DKGVUQMEGPJGPR-VXGBXAGGSA-N 2 2 299.245 3.343 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959722 819248303 /nfs/dbraw/zinc/24/83/03/819248303.db2.gz NEVPNEZOHFSOKM-HGKCTWBKSA-N 2 2 296.414 3.018 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959722 819248308 /nfs/dbraw/zinc/24/83/08/819248308.db2.gz NEVPNEZOHFSOKM-HGKCTWBKSA-N 2 2 296.414 3.018 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235979873 819255815 /nfs/dbraw/zinc/25/58/15/819255815.db2.gz LPCUAOQMVHHMEJ-WMZOPIPTSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235979873 819255817 /nfs/dbraw/zinc/25/58/17/819255817.db2.gz LPCUAOQMVHHMEJ-WMZOPIPTSA-N 2 2 288.435 3.179 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1C(C)C ZINC001236048380 819286336 /nfs/dbraw/zinc/28/63/36/819286336.db2.gz OFFWBTKPVQOPIG-XJKSGUPXSA-N 2 2 290.451 3.296 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1C(C)C ZINC001236048380 819286339 /nfs/dbraw/zinc/28/63/39/819286339.db2.gz OFFWBTKPVQOPIG-XJKSGUPXSA-N 2 2 290.451 3.296 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2c1 ZINC001236051851 819289048 /nfs/dbraw/zinc/28/90/48/819289048.db2.gz NXCDQKGXSWWUMO-AAEUAGOBSA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2c1 ZINC001236051851 819289054 /nfs/dbraw/zinc/28/90/54/819289054.db2.gz NXCDQKGXSWWUMO-AAEUAGOBSA-N 2 2 290.432 3.079 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2CCc2ccccc2)C[C@@H]1[NH3+] ZINC001236094238 819312317 /nfs/dbraw/zinc/31/23/17/819312317.db2.gz VLGUUKCGOKHZCV-UZLBHIALSA-N 2 2 294.442 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)C[C@@H]1[NH3+] ZINC001236094238 819312321 /nfs/dbraw/zinc/31/23/21/819312321.db2.gz VLGUUKCGOKHZCV-UZLBHIALSA-N 2 2 294.442 3.251 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095753 819313548 /nfs/dbraw/zinc/31/35/48/819313548.db2.gz YCIPYQWLHUXZQY-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095753 819313554 /nfs/dbraw/zinc/31/35/54/819313554.db2.gz YCIPYQWLHUXZQY-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1C ZINC001236100718 819317797 /nfs/dbraw/zinc/31/77/97/819317797.db2.gz OBPCDWUTYLGWLJ-NSHDSACASA-N 2 2 266.816 3.141 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1C ZINC001236100718 819317804 /nfs/dbraw/zinc/31/78/04/819317804.db2.gz OBPCDWUTYLGWLJ-NSHDSACASA-N 2 2 266.816 3.141 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC[NH2+]1 ZINC001236100045 819318348 /nfs/dbraw/zinc/31/83/48/819318348.db2.gz BNGXMBGEKJLSMR-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC[NH2+]1 ZINC001236100045 819318356 /nfs/dbraw/zinc/31/83/56/819318356.db2.gz BNGXMBGEKJLSMR-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236203442 819366090 /nfs/dbraw/zinc/36/60/90/819366090.db2.gz ZECUJMGSBXWBLX-KRWDZBQOSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236203442 819366095 /nfs/dbraw/zinc/36/60/95/819366095.db2.gz ZECUJMGSBXWBLX-KRWDZBQOSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202403 819366473 /nfs/dbraw/zinc/36/64/73/819366473.db2.gz REMMCWUSFOQHCY-QGZVFWFLSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202403 819366477 /nfs/dbraw/zinc/36/64/77/819366477.db2.gz REMMCWUSFOQHCY-QGZVFWFLSA-N 2 2 276.424 3.049 20 0 CGADLP C[N@H+](Cc1cccn1Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220839 819388451 /nfs/dbraw/zinc/38/84/51/819388451.db2.gz ZTSDHHHBELUBER-OALUTQOASA-N 2 2 297.446 3.238 20 0 CGADLP C[N@@H+](Cc1cccn1Cc1ccccc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220839 819388457 /nfs/dbraw/zinc/38/84/57/819388457.db2.gz ZTSDHHHBELUBER-OALUTQOASA-N 2 2 297.446 3.238 20 0 CGADLP C[N@H+](Cc1cc(Cl)c(F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236227063 819392079 /nfs/dbraw/zinc/39/20/79/819392079.db2.gz ZBSZMKRCMDCOLU-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@@H+](Cc1cc(Cl)c(F)cc1F)C1(C)CC[NH2+]CC1 ZINC001236227063 819392087 /nfs/dbraw/zinc/39/20/87/819392087.db2.gz ZBSZMKRCMDCOLU-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CCc1cccc(C)c1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236239290 819398952 /nfs/dbraw/zinc/39/89/52/819398952.db2.gz GKMFPLXZCOGQMD-QGZVFWFLSA-N 2 2 272.436 3.274 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236239290 819398959 /nfs/dbraw/zinc/39/89/59/819398959.db2.gz GKMFPLXZCOGQMD-QGZVFWFLSA-N 2 2 272.436 3.274 20 0 CGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236241061 819399567 /nfs/dbraw/zinc/39/95/67/819399567.db2.gz QPNQLTJFMPJPAK-INIZCTEOSA-N 2 2 288.435 3.028 20 0 CGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236241061 819399573 /nfs/dbraw/zinc/39/95/73/819399573.db2.gz QPNQLTJFMPJPAK-INIZCTEOSA-N 2 2 288.435 3.028 20 0 CGADLP CCOC(C)(C)C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269626 819411263 /nfs/dbraw/zinc/41/12/63/819411263.db2.gz LUWPEFVFTFLXFM-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC(C)(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269626 819411267 /nfs/dbraw/zinc/41/12/67/819411267.db2.gz LUWPEFVFTFLXFM-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236334440 819428231 /nfs/dbraw/zinc/42/82/31/819428231.db2.gz JVRCNSLVPXBLBE-IAGOWNOFSA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236334440 819428236 /nfs/dbraw/zinc/42/82/36/819428236.db2.gz JVRCNSLVPXBLBE-IAGOWNOFSA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236334437 819428527 /nfs/dbraw/zinc/42/85/27/819428527.db2.gz JVRCNSLVPXBLBE-DLBZAZTESA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)c1 ZINC001236334437 819428530 /nfs/dbraw/zinc/42/85/30/819428530.db2.gz JVRCNSLVPXBLBE-DLBZAZTESA-N 2 2 288.435 3.017 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236419151 819466046 /nfs/dbraw/zinc/46/60/46/819466046.db2.gz KYTJXDTUOKOAEM-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001236419151 819466049 /nfs/dbraw/zinc/46/60/49/819466049.db2.gz KYTJXDTUOKOAEM-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP CC(C)[N@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCC[NH2+]C1 ZINC001236468008 819488343 /nfs/dbraw/zinc/48/83/43/819488343.db2.gz CXKLBDBVEDSAGG-CQSZACIVSA-N 2 2 289.398 3.269 20 0 CGADLP CC(C)[N@@H+](Cc1c[nH]c2cccc(F)c12)[C@@H]1CCC[NH2+]C1 ZINC001236468008 819488347 /nfs/dbraw/zinc/48/83/47/819488347.db2.gz CXKLBDBVEDSAGG-CQSZACIVSA-N 2 2 289.398 3.269 20 0 CGADLP CCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468050 819488730 /nfs/dbraw/zinc/48/87/30/819488730.db2.gz DSWRBCFMEIICJW-QGZVFWFLSA-N 2 2 290.451 3.438 20 0 CGADLP CCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468050 819488734 /nfs/dbraw/zinc/48/87/34/819488734.db2.gz DSWRBCFMEIICJW-QGZVFWFLSA-N 2 2 290.451 3.438 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468741 819489488 /nfs/dbraw/zinc/48/94/88/819489488.db2.gz LMAMJAWSXDRXBN-OAHLLOKOSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468741 819489494 /nfs/dbraw/zinc/48/94/94/819489494.db2.gz LMAMJAWSXDRXBN-OAHLLOKOSA-N 2 2 285.435 3.439 20 0 CGADLP CCOc1ccc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470849 819491165 /nfs/dbraw/zinc/49/11/65/819491165.db2.gz DLDBWHKNVNBDOM-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236470849 819491169 /nfs/dbraw/zinc/49/11/69/819491169.db2.gz DLDBWHKNVNBDOM-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP C(C1CCCC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646801 819560457 /nfs/dbraw/zinc/56/04/57/819560457.db2.gz IPRGPAOSRVKXQC-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C(C1CCCC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646801 819560460 /nfs/dbraw/zinc/56/04/60/819560460.db2.gz IPRGPAOSRVKXQC-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@@H+](Cc1c(F)cc(C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236844196 819620144 /nfs/dbraw/zinc/62/01/44/819620144.db2.gz UXQQPNRGFZBAJD-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+](Cc1c(F)cc(C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236844196 819620151 /nfs/dbraw/zinc/62/01/51/819620151.db2.gz UXQQPNRGFZBAJD-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc(Cl)cc1Cl ZINC001236861281 819626208 /nfs/dbraw/zinc/62/62/08/819626208.db2.gz YUKKOVXUXAJWKJ-LBPRGKRZSA-N 2 2 275.223 3.205 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc(Cl)cc1Cl ZINC001236861281 819626209 /nfs/dbraw/zinc/62/62/09/819626209.db2.gz YUKKOVXUXAJWKJ-LBPRGKRZSA-N 2 2 275.223 3.205 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001236905145 819634594 /nfs/dbraw/zinc/63/45/94/819634594.db2.gz YNURLICLAJYLBW-HNNXBMFYSA-N 2 2 268.404 3.056 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cc2ccccc2)cc1 ZINC001236905145 819634599 /nfs/dbraw/zinc/63/45/99/819634599.db2.gz YNURLICLAJYLBW-HNNXBMFYSA-N 2 2 268.404 3.056 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(O)cc2ccccc21 ZINC001237075758 819661056 /nfs/dbraw/zinc/66/10/56/819661056.db2.gz HEDJVBKAKDPBCV-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(O)cc2ccccc21 ZINC001237075758 819661060 /nfs/dbraw/zinc/66/10/60/819661060.db2.gz HEDJVBKAKDPBCV-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155158 819681116 /nfs/dbraw/zinc/68/11/16/819681116.db2.gz OQRHYJXVFXGKAM-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155158 819681119 /nfs/dbraw/zinc/68/11/19/819681119.db2.gz OQRHYJXVFXGKAM-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)cc1O ZINC001237155596 819682956 /nfs/dbraw/zinc/68/29/56/819682956.db2.gz SMIGFGGTHUAIEP-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)cc1O ZINC001237155596 819682959 /nfs/dbraw/zinc/68/29/59/819682959.db2.gz SMIGFGGTHUAIEP-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237384068 819739157 /nfs/dbraw/zinc/73/91/57/819739157.db2.gz UFCJDZCBFDGDPM-WMLDXEAASA-N 2 2 283.419 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237384068 819739165 /nfs/dbraw/zinc/73/91/65/819739165.db2.gz UFCJDZCBFDGDPM-WMLDXEAASA-N 2 2 283.419 3.050 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414117 819747528 /nfs/dbraw/zinc/74/75/28/819747528.db2.gz KMPVJYWZCODUKE-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414117 819747533 /nfs/dbraw/zinc/74/75/33/819747533.db2.gz KMPVJYWZCODUKE-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(O)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001238111123 819935962 /nfs/dbraw/zinc/93/59/62/819935962.db2.gz UANAYUSBQXCDSB-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1ccc(O)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001238111123 819935969 /nfs/dbraw/zinc/93/59/69/819935969.db2.gz UANAYUSBQXCDSB-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2cccs2)n1 ZINC001238203930 819956568 /nfs/dbraw/zinc/95/65/68/819956568.db2.gz GXSKOMFQVPBJGJ-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2cccs2)n1 ZINC001238203930 819956570 /nfs/dbraw/zinc/95/65/70/819956570.db2.gz GXSKOMFQVPBJGJ-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP COc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1C ZINC001238996880 820188696 /nfs/dbraw/zinc/18/86/96/820188696.db2.gz XWGNQGVXKQQROY-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1C ZINC001238996880 820188699 /nfs/dbraw/zinc/18/86/99/820188699.db2.gz XWGNQGVXKQQROY-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)n1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001239067903 820214040 /nfs/dbraw/zinc/21/40/40/820214040.db2.gz KADSQAFYOUBLSF-UHFFFAOYSA-N 2 2 280.375 3.071 20 0 CGADLP Cc1ccc(-c2ccc(C3CC[NH+](C)CC3)cc2)[nH+]c1N ZINC001243655176 823475833 /nfs/dbraw/zinc/47/58/33/823475833.db2.gz STUPTAMSXXGVSU-UHFFFAOYSA-N 2 2 281.403 3.448 20 0 CGADLP [NH3+]Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243658015 823476391 /nfs/dbraw/zinc/47/63/91/823476391.db2.gz GBEUSYLTAADGJW-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP CCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239563327 820414648 /nfs/dbraw/zinc/41/46/48/820414648.db2.gz BFFWVPYCFHLPMB-UHFFFAOYSA-N 2 2 293.370 3.087 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1 ZINC001239827514 820643422 /nfs/dbraw/zinc/64/34/22/820643422.db2.gz OUZDBBLHNCAFSN-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1 ZINC001239827514 820643427 /nfs/dbraw/zinc/64/34/27/820643427.db2.gz OUZDBBLHNCAFSN-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP C[NH+](C)Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001240221137 820898760 /nfs/dbraw/zinc/89/87/60/820898760.db2.gz GQFNGRADRBEBFR-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP Cc1c(F)cccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001240732773 821285446 /nfs/dbraw/zinc/28/54/46/821285446.db2.gz SPFWBDFRFXZJMR-HNNXBMFYSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001240732773 821285452 /nfs/dbraw/zinc/28/54/52/821285452.db2.gz SPFWBDFRFXZJMR-HNNXBMFYSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1[nH+]ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001240854709 821370728 /nfs/dbraw/zinc/37/07/28/821370728.db2.gz GPIKITFUXTZPIP-UHFFFAOYSA-N 2 2 281.403 3.117 20 0 CGADLP CSc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001241636340 822015292 /nfs/dbraw/zinc/01/52/92/822015292.db2.gz DXIMTQBRPSSYJI-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cn1 ZINC001241636340 822015300 /nfs/dbraw/zinc/01/53/00/822015300.db2.gz DXIMTQBRPSSYJI-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1cc(C)c(NC(=O)c2ccc3c[nH+]cn3c2C)c(C)[nH+]1 ZINC001356376851 937157484 /nfs/dbraw/zinc/15/74/84/937157484.db2.gz PRGKTRYYLFGVDL-UHFFFAOYSA-N 2 2 294.358 3.215 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001459934724 937507422 /nfs/dbraw/zinc/50/74/22/937507422.db2.gz UBOIXZXGKNOYPS-SJORKVTESA-N 2 2 275.440 3.421 20 0 CGADLP CC(C)C[C@H](C)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460964043 937556034 /nfs/dbraw/zinc/55/60/34/937556034.db2.gz KWAQWTKPYQYOBC-AWEZNQCLSA-N 2 2 263.429 3.282 20 0 CGADLP CC(C)C[C@@H](C)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460964044 937556645 /nfs/dbraw/zinc/55/66/45/937556645.db2.gz KWAQWTKPYQYOBC-CQSZACIVSA-N 2 2 263.429 3.282 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CCC)C2)c(C)c1 ZINC001461652306 937590615 /nfs/dbraw/zinc/59/06/15/937590615.db2.gz LPMPQGGLXQQGHV-KRWDZBQOSA-N 2 2 290.451 3.358 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CCC)C2)c(C)c1 ZINC001461652306 937590617 /nfs/dbraw/zinc/59/06/17/937590617.db2.gz LPMPQGGLXQQGHV-KRWDZBQOSA-N 2 2 290.451 3.358 20 0 CGADLP Cc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1Br ZINC001461661640 937591023 /nfs/dbraw/zinc/59/10/23/937591023.db2.gz GWSMIOWCOUUOQA-GFCCVEGCSA-N 2 2 299.256 3.187 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1 ZINC001231084015 932676057 /nfs/dbraw/zinc/67/60/57/932676057.db2.gz SNOYLVUCQOETBJ-JCNLHEQBSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001462384182 937636630 /nfs/dbraw/zinc/63/66/30/937636630.db2.gz CMMYHLJUILWPSX-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001462384182 937636632 /nfs/dbraw/zinc/63/66/32/937636632.db2.gz CMMYHLJUILWPSX-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CSc1ccccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978390 933029173 /nfs/dbraw/zinc/02/91/73/933029173.db2.gz OGLAUINOARYFMU-IRXDYDNUSA-N 2 2 290.476 3.182 20 0 CGADLP c1csc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001308179284 933066109 /nfs/dbraw/zinc/06/61/09/933066109.db2.gz MEHVFWRZPUJCOX-UHFFFAOYSA-N 2 2 289.429 3.328 20 0 CGADLP Oc1cc(Cl)cc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC001308186372 933068525 /nfs/dbraw/zinc/06/85/25/933068525.db2.gz XZGVJULCHVKVHG-UHFFFAOYSA-N 2 2 282.815 3.011 20 0 CGADLP CCC1(CC)[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C[C@@H]1OC ZINC001462642317 937656155 /nfs/dbraw/zinc/65/61/55/937656155.db2.gz FFHOYQPOEITSIS-JYJNAYRXSA-N 2 2 284.488 3.146 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001308265147 933084699 /nfs/dbraw/zinc/08/46/99/933084699.db2.gz ZVKKHBQIFQRODV-INIZCTEOSA-N 2 2 252.446 3.421 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001308265147 933084706 /nfs/dbraw/zinc/08/47/06/933084706.db2.gz ZVKKHBQIFQRODV-INIZCTEOSA-N 2 2 252.446 3.421 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C ZINC001308395136 933104654 /nfs/dbraw/zinc/10/46/54/933104654.db2.gz KBFMKGYNVDEZAY-WBTNSWJXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C ZINC001308395136 933104657 /nfs/dbraw/zinc/10/46/57/933104657.db2.gz KBFMKGYNVDEZAY-WBTNSWJXSA-N 2 2 264.457 3.418 20 0 CGADLP COc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001308412703 933108013 /nfs/dbraw/zinc/10/80/13/933108013.db2.gz IORVCTQACUIAOS-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308557711 933131639 /nfs/dbraw/zinc/13/16/39/933131639.db2.gz SGMAQWSAXLGHEV-UONOGXRCSA-N 2 2 261.394 3.068 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@@H]1OC ZINC001308815787 933183421 /nfs/dbraw/zinc/18/34/21/933183421.db2.gz PXOPYMJJIAGWMC-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@@H]1OC ZINC001308815787 933183422 /nfs/dbraw/zinc/18/34/22/933183422.db2.gz PXOPYMJJIAGWMC-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001308920168 933204198 /nfs/dbraw/zinc/20/41/98/933204198.db2.gz WNDXSKFLIDFYGT-ZIFCJYIRSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308920168 933204202 /nfs/dbraw/zinc/20/42/02/933204202.db2.gz WNDXSKFLIDFYGT-ZIFCJYIRSA-N 2 2 284.447 3.453 20 0 CGADLP CC(C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)=C1CCCC1 ZINC001319092973 933822605 /nfs/dbraw/zinc/82/26/05/933822605.db2.gz MCNIRQADAOJZTF-UHFFFAOYSA-N 2 2 296.374 3.405 20 0 CGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001320021915 933980563 /nfs/dbraw/zinc/98/05/63/933980563.db2.gz CKCYIVICFCTIRP-UHFFFAOYSA-N 2 2 292.471 3.052 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC001327253778 935048117 /nfs/dbraw/zinc/04/81/17/935048117.db2.gz JDDZCRCAZQRNIO-HNNXBMFYSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC001327253778 935048124 /nfs/dbraw/zinc/04/81/24/935048124.db2.gz JDDZCRCAZQRNIO-HNNXBMFYSA-N 2 2 272.392 3.395 20 0 CGADLP C[C@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001332835240 935491158 /nfs/dbraw/zinc/49/11/58/935491158.db2.gz HYVOXBYUAJPVDB-CQSZACIVSA-N 2 2 261.413 3.174 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CC=CCC1 ZINC001336316753 936187640 /nfs/dbraw/zinc/18/76/40/936187640.db2.gz WQQARXMGCOMUQY-CQSZACIVSA-N 2 2 296.374 3.261 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC2(CC2)CC1 ZINC001473789127 937822165 /nfs/dbraw/zinc/82/21/65/937822165.db2.gz ZJAITNSSJYXQOC-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC2(CC2)CC1 ZINC001473789127 937822167 /nfs/dbraw/zinc/82/21/67/937822167.db2.gz ZJAITNSSJYXQOC-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCC2(CC2)CC1 ZINC001473789127 937822170 /nfs/dbraw/zinc/82/21/70/937822170.db2.gz ZJAITNSSJYXQOC-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CCC2(CC2)CC1 ZINC001473789127 937822171 /nfs/dbraw/zinc/82/21/71/937822171.db2.gz ZJAITNSSJYXQOC-JKSUJKDBSA-N 2 2 262.441 3.125 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001473856756 937825147 /nfs/dbraw/zinc/82/51/47/937825147.db2.gz RPICSXVAXPUFCM-DLBZAZTESA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC001473856756 937825148 /nfs/dbraw/zinc/82/51/48/937825148.db2.gz RPICSXVAXPUFCM-DLBZAZTESA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337788 938151388 /nfs/dbraw/zinc/15/13/88/938151388.db2.gz YDUKYIKSJSYZAT-KGLIPLIRSA-N 2 2 263.429 3.282 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337788 938151389 /nfs/dbraw/zinc/15/13/89/938151389.db2.gz YDUKYIKSJSYZAT-KGLIPLIRSA-N 2 2 263.429 3.282 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC001550057712 938162449 /nfs/dbraw/zinc/16/24/49/938162449.db2.gz BGOQHFIIONDQKU-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(F)c1 ZINC001550057712 938162450 /nfs/dbraw/zinc/16/24/50/938162450.db2.gz BGOQHFIIONDQKU-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001550130516 938163075 /nfs/dbraw/zinc/16/30/75/938163075.db2.gz XYMWUYTUAORPJA-ZIAGYGMSSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001550130516 938163076 /nfs/dbraw/zinc/16/30/76/938163076.db2.gz XYMWUYTUAORPJA-ZIAGYGMSSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001550130232 938163196 /nfs/dbraw/zinc/16/31/96/938163196.db2.gz BFYFCRBOHMKCCL-CHWSQXEVSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001550130232 938163197 /nfs/dbraw/zinc/16/31/97/938163197.db2.gz BFYFCRBOHMKCCL-CHWSQXEVSA-N 2 2 283.366 3.035 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551377689 938180385 /nfs/dbraw/zinc/18/03/85/938180385.db2.gz IWMPTPDPFZLITL-TUKIKUTGSA-N 2 2 272.417 3.332 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001551396764 938181603 /nfs/dbraw/zinc/18/16/03/938181603.db2.gz STISCAWAMHNZNJ-YJBOKZPZSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001551396764 938181604 /nfs/dbraw/zinc/18/16/04/938181604.db2.gz STISCAWAMHNZNJ-YJBOKZPZSA-N 2 2 299.418 3.044 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001551402259 938181935 /nfs/dbraw/zinc/18/19/35/938181935.db2.gz MBIJDZSWGLKHSW-JKSUJKDBSA-N 2 2 272.779 3.054 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CC[NH2+]C23CCCC3)o1 ZINC001553026372 938196122 /nfs/dbraw/zinc/19/61/22/938196122.db2.gz LWTPESPDMQGCSU-INIZCTEOSA-N 2 2 270.376 3.197 20 0 CGADLP CC[NH+]1CCC(C[NH+]2Cc3cc(F)c(F)cc3C2)CC1 ZINC001560905828 938283190 /nfs/dbraw/zinc/28/31/90/938283190.db2.gz QKQVCLVPLLNDOS-UHFFFAOYSA-N 2 2 280.362 3.012 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC001560979449 938287624 /nfs/dbraw/zinc/28/76/24/938287624.db2.gz JIDVQXAVQPHNRB-KRWDZBQOSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC001560979449 938287625 /nfs/dbraw/zinc/28/76/25/938287625.db2.gz JIDVQXAVQPHNRB-KRWDZBQOSA-N 2 2 292.854 3.483 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C[C@@H](C)C1 ZINC001576590062 962477961 /nfs/dbraw/zinc/47/79/61/962477961.db2.gz XRQYMFKGRVTSFH-CBBWQLFWSA-N 2 2 252.446 3.118 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C[C@@H](C)C1 ZINC001576590062 962477972 /nfs/dbraw/zinc/47/79/72/962477972.db2.gz XRQYMFKGRVTSFH-CBBWQLFWSA-N 2 2 252.446 3.118 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]CC1([NH3+])CCCC1 ZINC001578266198 962584001 /nfs/dbraw/zinc/58/40/01/962584001.db2.gz CXWABGPRYBNDEC-UHFFFAOYSA-N 2 2 266.816 3.264 20 0 CGADLP Cc1cc(N[C@@H]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c[nH+]c1C ZINC001579635313 962647287 /nfs/dbraw/zinc/64/72/87/962647287.db2.gz DGUQEZBUOZTERQ-IIAWOOMASA-N 2 2 259.397 3.031 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC001580404712 962724070 /nfs/dbraw/zinc/72/40/70/962724070.db2.gz MRXBQVAQVXGFQT-SJLPKXTDSA-N 2 2 278.355 3.147 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891236 962741533 /nfs/dbraw/zinc/74/15/33/962741533.db2.gz VZSIIFXBNFZQAQ-ROUUACIJSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891236 962741549 /nfs/dbraw/zinc/74/15/49/962741549.db2.gz VZSIIFXBNFZQAQ-ROUUACIJSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891234 962742566 /nfs/dbraw/zinc/74/25/66/962742566.db2.gz VZSIIFXBNFZQAQ-QZTJIDSGSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891234 962742579 /nfs/dbraw/zinc/74/25/79/962742579.db2.gz VZSIIFXBNFZQAQ-QZTJIDSGSA-N 2 2 299.462 3.151 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000294951790 199267466 /nfs/dbraw/zinc/26/74/66/199267466.db2.gz MDCZYZQWFAPRRL-KDOFPFPSSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000294951790 199267468 /nfs/dbraw/zinc/26/74/68/199267468.db2.gz MDCZYZQWFAPRRL-KDOFPFPSSA-N 2 2 297.402 3.169 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337418160 214069832 /nfs/dbraw/zinc/06/98/32/214069832.db2.gz PVQGNTRGLDGNGD-NJAFHUGGSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337418160 214069835 /nfs/dbraw/zinc/06/98/35/214069835.db2.gz PVQGNTRGLDGNGD-NJAFHUGGSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377738 349512686 /nfs/dbraw/zinc/51/26/86/349512686.db2.gz FHTZCOSSBLQHCB-VNQPRFMTSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621377738 349512688 /nfs/dbraw/zinc/51/26/88/349512688.db2.gz FHTZCOSSBLQHCB-VNQPRFMTSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CC(C)C2)n1-c1ccccc1 ZINC000621383573 349514794 /nfs/dbraw/zinc/51/47/94/349514794.db2.gz MVVSIBKQPHVGGY-UHFFFAOYSA-N 2 2 269.392 3.316 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC34CCC4)[nH+]c12 ZINC000651241132 398221330 /nfs/dbraw/zinc/22/13/30/398221330.db2.gz DZBJIJCHVCOSMQ-INIZCTEOSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c[nH+]1 ZINC000337552308 214151211 /nfs/dbraw/zinc/15/12/11/214151211.db2.gz STUVSNFKDALPQJ-KGLIPLIRSA-N 2 2 284.350 3.073 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000125149947 187171670 /nfs/dbraw/zinc/17/16/70/187171670.db2.gz RQPZVROEWPELTL-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000651716119 398274647 /nfs/dbraw/zinc/27/46/47/398274647.db2.gz LDNQIXTVUKXKFQ-SJLPKXTDSA-N 2 2 296.499 3.434 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337999316 214352966 /nfs/dbraw/zinc/35/29/66/214352966.db2.gz OTZNLYQOFJCTPK-HUUCEWRRSA-N 2 2 259.397 3.052 20 0 CGADLP CCc1cc[nH+]cc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000651979372 398314831 /nfs/dbraw/zinc/31/48/31/398314831.db2.gz MDMRVZHEBXEKOW-UHFFFAOYSA-N 2 2 261.413 3.319 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423300330 282954768 /nfs/dbraw/zinc/95/47/68/282954768.db2.gz RHAMSCUJQXDKMO-CABCVRRESA-N 2 2 278.444 3.138 20 0 CGADLP CC[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414837662 529490319 /nfs/dbraw/zinc/49/03/19/529490319.db2.gz UUMFCEYZYFTGRP-YJBOKZPZSA-N 2 2 268.404 3.470 20 0 CGADLP CC[C@@H](F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000440501394 529551441 /nfs/dbraw/zinc/55/14/41/529551441.db2.gz CZHUYMRRAROZJY-OAHLLOKOSA-N 2 2 267.392 3.123 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)C1CCC1 ZINC000423508853 529616692 /nfs/dbraw/zinc/61/66/92/529616692.db2.gz QZGMZJYHEYFZTJ-IAGOWNOFSA-N 2 2 260.425 3.417 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423497876 529617226 /nfs/dbraw/zinc/61/72/26/529617226.db2.gz HNMJZNPXYMZKQX-SUMWQHHRSA-N 2 2 272.392 3.063 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(Cl)ccc1OC ZINC000423283662 529619313 /nfs/dbraw/zinc/61/93/13/529619313.db2.gz XEGYTQYQRBBDEG-KBPBESRZSA-N 2 2 284.831 3.373 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423239782 529620234 /nfs/dbraw/zinc/62/02/34/529620234.db2.gz SLTVTQKASDVALO-ZJUUUORDSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623363065 349790294 /nfs/dbraw/zinc/79/02/94/349790294.db2.gz WHOCFEBEJCPIQA-UMVBOHGHSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623363065 349790297 /nfs/dbraw/zinc/79/02/97/349790297.db2.gz WHOCFEBEJCPIQA-UMVBOHGHSA-N 2 2 276.424 3.365 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1F ZINC000368097878 529660983 /nfs/dbraw/zinc/66/09/83/529660983.db2.gz ACKFVRBGKIHDLW-RISCZKNCSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1F ZINC000368097878 529660984 /nfs/dbraw/zinc/66/09/84/529660984.db2.gz ACKFVRBGKIHDLW-RISCZKNCSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccc1OC ZINC000368103883 529661168 /nfs/dbraw/zinc/66/11/68/529661168.db2.gz ZBLQYOTZFSOYKS-HIFRSBDPSA-N 2 2 299.418 3.325 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccc1OC ZINC000368103883 529661169 /nfs/dbraw/zinc/66/11/69/529661169.db2.gz ZBLQYOTZFSOYKS-HIFRSBDPSA-N 2 2 299.418 3.325 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000591868341 346943973 /nfs/dbraw/zinc/94/39/73/346943973.db2.gz XGDVSFCWUQYVGJ-NSHDSACASA-N 2 2 281.812 3.435 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000591868341 346943976 /nfs/dbraw/zinc/94/39/76/346943976.db2.gz XGDVSFCWUQYVGJ-NSHDSACASA-N 2 2 281.812 3.435 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474681 349815567 /nfs/dbraw/zinc/81/55/67/349815567.db2.gz LIBCHNNIXGSTSU-KGLIPLIRSA-N 2 2 279.428 3.205 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474681 349815571 /nfs/dbraw/zinc/81/55/71/349815571.db2.gz LIBCHNNIXGSTSU-KGLIPLIRSA-N 2 2 279.428 3.205 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000427872568 529722315 /nfs/dbraw/zinc/72/23/15/529722315.db2.gz XYELQMLGUHPULS-RYUDHWBXSA-N 2 2 275.421 3.173 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830760 187265085 /nfs/dbraw/zinc/26/50/85/187265085.db2.gz OTYVERYVEMYLPJ-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830760 187265087 /nfs/dbraw/zinc/26/50/87/187265087.db2.gz OTYVERYVEMYLPJ-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1ccc[nH+]c1CCCNc1[nH]c2ccccc2[nH+]1 ZINC000295068746 199328747 /nfs/dbraw/zinc/32/87/47/199328747.db2.gz WESARCBOJLYARA-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128086239 187350142 /nfs/dbraw/zinc/35/01/42/187350142.db2.gz GTMYUZBZTDZDKP-GMXVVIOVSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128086239 187350143 /nfs/dbraw/zinc/35/01/43/187350143.db2.gz GTMYUZBZTDZDKP-GMXVVIOVSA-N 2 2 280.362 3.241 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000273177220 192066297 /nfs/dbraw/zinc/06/62/97/192066297.db2.gz NPYXAMCOHWCQIX-CQSZACIVSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751711 349877965 /nfs/dbraw/zinc/87/79/65/349877965.db2.gz JYHMMURNEWWAPZ-UVBJJODRSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751711 349877966 /nfs/dbraw/zinc/87/79/66/349877966.db2.gz JYHMMURNEWWAPZ-UVBJJODRSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832748 349892651 /nfs/dbraw/zinc/89/26/51/349892651.db2.gz JYHMMURNEWWAPZ-HFBAOOFYSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832748 349892653 /nfs/dbraw/zinc/89/26/53/349892653.db2.gz JYHMMURNEWWAPZ-HFBAOOFYSA-N 2 2 278.827 3.257 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436293444 530057953 /nfs/dbraw/zinc/05/79/53/530057953.db2.gz VFDSDPKNKCGXDQ-IXDOHACOSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436293444 530057954 /nfs/dbraw/zinc/05/79/54/530057954.db2.gz VFDSDPKNKCGXDQ-IXDOHACOSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000080338516 345671629 /nfs/dbraw/zinc/67/16/29/345671629.db2.gz TVWZYDJVBUPHMJ-NVXWUHKLSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000080338516 345671631 /nfs/dbraw/zinc/67/16/31/345671631.db2.gz TVWZYDJVBUPHMJ-NVXWUHKLSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000155944755 232226536 /nfs/dbraw/zinc/22/65/36/232226536.db2.gz ZOLRCRGXBXWWCG-DOTOQJQBSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000155944755 232226539 /nfs/dbraw/zinc/22/65/39/232226539.db2.gz ZOLRCRGXBXWWCG-DOTOQJQBSA-N 2 2 284.403 3.075 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccncc12)c1ccsc1 ZINC000085656164 345746844 /nfs/dbraw/zinc/74/68/44/345746844.db2.gz RXCBVUFKBFMWMV-INIZCTEOSA-N 2 2 298.415 3.406 20 0 CGADLP CC(C)[NH+](CCNc1cc[nH+]c2ccncc12)C(C)C ZINC000085652585 345746902 /nfs/dbraw/zinc/74/69/02/345746902.db2.gz GDXIBRFXVBDGFD-UHFFFAOYSA-N 2 2 272.396 3.161 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c2ccncc12)c1ccsc1 ZINC000085656166 345747006 /nfs/dbraw/zinc/74/70/06/345747006.db2.gz RXCBVUFKBFMWMV-MRXNPFEDSA-N 2 2 298.415 3.406 20 0 CGADLP Cc1nc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)sc1C ZINC000088593779 345762323 /nfs/dbraw/zinc/76/23/23/345762323.db2.gz HPXYJDCTDDUNFI-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1nc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)sc1C ZINC000088593779 345762327 /nfs/dbraw/zinc/76/23/27/345762327.db2.gz HPXYJDCTDDUNFI-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(C)s1 ZINC000090046688 345778668 /nfs/dbraw/zinc/77/86/68/345778668.db2.gz YUIIFPNMLGEDMN-TZMCWYRMSA-N 2 2 296.480 3.126 20 0 CGADLP Fc1cccnc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090721633 345793311 /nfs/dbraw/zinc/79/33/11/345793311.db2.gz SZRWZZIXEALMGH-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000090846686 345795588 /nfs/dbraw/zinc/79/55/88/345795588.db2.gz QTKTYQXEOASULF-FZKQIMNGSA-N 2 2 266.388 3.456 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091959680 345826435 /nfs/dbraw/zinc/82/64/35/345826435.db2.gz VFZKANHDTGDLEP-AAEUAGOBSA-N 2 2 279.771 3.213 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091959680 345826436 /nfs/dbraw/zinc/82/64/36/345826436.db2.gz VFZKANHDTGDLEP-AAEUAGOBSA-N 2 2 279.771 3.213 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960080 345826457 /nfs/dbraw/zinc/82/64/57/345826457.db2.gz GEFZSRHETFDRKQ-STQMWFEESA-N 2 2 291.420 3.036 20 0 CGADLP COc1ccsc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960080 345826460 /nfs/dbraw/zinc/82/64/60/345826460.db2.gz GEFZSRHETFDRKQ-STQMWFEESA-N 2 2 291.420 3.036 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC000093178596 345872220 /nfs/dbraw/zinc/87/22/20/345872220.db2.gz KJAKKXAOPOHGOJ-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@H+]1C ZINC000093178596 345872225 /nfs/dbraw/zinc/87/22/25/345872225.db2.gz KJAKKXAOPOHGOJ-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178596 345872227 /nfs/dbraw/zinc/87/22/27/345872227.db2.gz KJAKKXAOPOHGOJ-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178596 345872229 /nfs/dbraw/zinc/87/22/29/345872229.db2.gz KJAKKXAOPOHGOJ-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108424276 345937464 /nfs/dbraw/zinc/93/74/64/345937464.db2.gz XKVJEDXXLHZNPB-VHUCWBOISA-N 2 2 270.420 3.164 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424276 345937467 /nfs/dbraw/zinc/93/74/67/345937467.db2.gz XKVJEDXXLHZNPB-VHUCWBOISA-N 2 2 270.420 3.164 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(O)c1 ZINC000213744398 346287917 /nfs/dbraw/zinc/28/79/17/346287917.db2.gz YPTTWLGRDJFGLZ-CYBMUJFWSA-N 2 2 264.413 3.163 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(O)c1 ZINC000213744398 346287920 /nfs/dbraw/zinc/28/79/20/346287920.db2.gz YPTTWLGRDJFGLZ-CYBMUJFWSA-N 2 2 264.413 3.163 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000251054286 346387477 /nfs/dbraw/zinc/38/74/77/346387477.db2.gz UMLQJTDUQCSRAV-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000251054286 346387481 /nfs/dbraw/zinc/38/74/81/346387481.db2.gz UMLQJTDUQCSRAV-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP CC(C)C(C[NH2+]CCCCn1cc[nH+]c1)C(C)C ZINC000310965443 346472116 /nfs/dbraw/zinc/47/21/16/346472116.db2.gz FQUXQFYXQZIEFL-UHFFFAOYSA-N 2 2 251.418 3.181 20 0 CGADLP COc1ccc[nH+]c1NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000624092217 349967471 /nfs/dbraw/zinc/96/74/71/349967471.db2.gz DCOXVFYJZQSTSO-UHFFFAOYSA-N 2 2 298.390 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000390560133 346574194 /nfs/dbraw/zinc/57/41/94/346574194.db2.gz JVGJRPNIIITSHC-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390560133 346574196 /nfs/dbraw/zinc/57/41/96/346574196.db2.gz JVGJRPNIIITSHC-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000584682251 346707661 /nfs/dbraw/zinc/70/76/61/346707661.db2.gz MCGIADIYZCGKSU-LUYZLQTOSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000584682251 346707662 /nfs/dbraw/zinc/70/76/62/346707662.db2.gz MCGIADIYZCGKSU-LUYZLQTOSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000584682251 346707665 /nfs/dbraw/zinc/70/76/65/346707665.db2.gz MCGIADIYZCGKSU-LUYZLQTOSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000584682251 346707668 /nfs/dbraw/zinc/70/76/68/346707668.db2.gz MCGIADIYZCGKSU-LUYZLQTOSA-N 2 2 276.424 3.175 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000594790307 347216863 /nfs/dbraw/zinc/21/68/63/347216863.db2.gz XKVJEDXXLHZNPB-OTMARIDSSA-N 2 2 270.420 3.164 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594790307 347216867 /nfs/dbraw/zinc/21/68/67/347216867.db2.gz XKVJEDXXLHZNPB-OTMARIDSSA-N 2 2 270.420 3.164 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000357786942 233004151 /nfs/dbraw/zinc/00/41/51/233004151.db2.gz WOMARUAHSIPOGY-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000624188855 349996223 /nfs/dbraw/zinc/99/62/23/349996223.db2.gz IJRDLIVQIDQCPU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCCC1 ZINC000624188855 349996224 /nfs/dbraw/zinc/99/62/24/349996224.db2.gz IJRDLIVQIDQCPU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358257474 233092206 /nfs/dbraw/zinc/09/22/06/233092206.db2.gz UNMAUFJAHHUXKO-RKVPGOIHSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339577277 215252244 /nfs/dbraw/zinc/25/22/44/215252244.db2.gz GFXSAUIWWMCLTI-KBPBESRZSA-N 2 2 255.365 3.021 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339577277 215252247 /nfs/dbraw/zinc/25/22/47/215252247.db2.gz GFXSAUIWWMCLTI-KBPBESRZSA-N 2 2 255.365 3.021 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000619165740 349216345 /nfs/dbraw/zinc/21/63/45/349216345.db2.gz AKJHXJUVDXHGHP-QGZVFWFLSA-N 2 2 292.492 3.382 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000619165740 349216349 /nfs/dbraw/zinc/21/63/49/349216349.db2.gz AKJHXJUVDXHGHP-QGZVFWFLSA-N 2 2 292.492 3.382 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271242515 191022541 /nfs/dbraw/zinc/02/25/41/191022541.db2.gz GEFZSRHETFDRKQ-QWHCGFSZSA-N 2 2 291.420 3.036 20 0 CGADLP c1csc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000628478659 350549026 /nfs/dbraw/zinc/54/90/26/350549026.db2.gz LKHHBXHGDWIPPP-UHFFFAOYSA-N 2 2 283.400 3.070 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCC3(CC3)CC2)[nH+]1 ZINC000628480313 350550135 /nfs/dbraw/zinc/55/01/35/350550135.db2.gz PLHDAIRWIVZNOA-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCC3(CC3)CC2)[nH+]1 ZINC000628480313 350550136 /nfs/dbraw/zinc/55/01/36/350550136.db2.gz PLHDAIRWIVZNOA-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000629525932 350702187 /nfs/dbraw/zinc/70/21/87/350702187.db2.gz GWUJNMQIZJAJKP-KWCYVHTRSA-N 2 2 278.465 3.418 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc(F)c1 ZINC000629527516 350703074 /nfs/dbraw/zinc/70/30/74/350703074.db2.gz XTGFWGLDRCWCGJ-QLFBSQMISA-N 2 2 250.361 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000629538331 350706002 /nfs/dbraw/zinc/70/60/02/350706002.db2.gz LBOPAIUBYQMPHN-MBNYWOFBSA-N 2 2 278.465 3.418 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1F ZINC000629539719 350706781 /nfs/dbraw/zinc/70/67/81/350706781.db2.gz NOHYDXBARAJQQF-AXAPSJFSSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccoc1 ZINC000629542761 350708315 /nfs/dbraw/zinc/70/83/15/350708315.db2.gz LCSJXZJKTBOLNS-BPUTZDHNSA-N 2 2 264.413 3.487 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C2CCC2)o1 ZINC000629543128 350708767 /nfs/dbraw/zinc/70/87/67/350708767.db2.gz UHBJEBVNDZRYPA-DIOULYMOSA-N 2 2 262.397 3.159 20 0 CGADLP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000629544161 350709103 /nfs/dbraw/zinc/70/91/03/350709103.db2.gz HNCDNZIWPCKWCA-ONGXEEELSA-N 2 2 292.370 3.387 20 0 CGADLP CC[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000629545214 350709359 /nfs/dbraw/zinc/70/93/59/350709359.db2.gz KSGHNSLGQWBVDK-QWRGUYRKSA-N 2 2 292.370 3.387 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000629548418 350710533 /nfs/dbraw/zinc/71/05/33/350710533.db2.gz OPWMGBLZWCAPIY-QWQRMKEZSA-N 2 2 281.403 3.150 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397271 350688162 /nfs/dbraw/zinc/68/81/62/350688162.db2.gz YBQKXZZDBUVQIF-CHWSQXEVSA-N 2 2 272.392 3.225 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629405468 350689369 /nfs/dbraw/zinc/68/93/69/350689369.db2.gz BNMWWHSMQPSLPY-XHDPSFHLSA-N 2 2 290.407 3.394 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000629650975 350730297 /nfs/dbraw/zinc/73/02/97/350730297.db2.gz DUWPTLSXPAXLQE-OAHLLOKOSA-N 2 2 276.449 3.173 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629660492 350732972 /nfs/dbraw/zinc/73/29/72/350732972.db2.gz UZJMEESHPBJPDC-TZMCWYRMSA-N 2 2 264.438 3.029 20 0 CGADLP CC(C)c1[nH+]cc(-c2cc(C[NH+](C)C)ccc2F)n1C ZINC000630052140 350801617 /nfs/dbraw/zinc/80/16/17/350801617.db2.gz GCDVVTUDRWZFES-UHFFFAOYSA-N 2 2 275.371 3.411 20 0 CGADLP Cc1csc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000630053269 350802328 /nfs/dbraw/zinc/80/23/28/350802328.db2.gz REWAJPDQSLPIID-HNNXBMFYSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1csc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)n1 ZINC000630053269 350802331 /nfs/dbraw/zinc/80/23/31/350802331.db2.gz REWAJPDQSLPIID-HNNXBMFYSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631040128 350933787 /nfs/dbraw/zinc/93/37/87/350933787.db2.gz GSCBJDAQMDEDDD-NSHDSACASA-N 2 2 289.766 3.461 20 0 CGADLP c1ccc2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]cc2c1 ZINC000631059246 350938715 /nfs/dbraw/zinc/93/87/15/350938715.db2.gz REZXIDSLRAYNQE-CYBMUJFWSA-N 2 2 267.376 3.131 20 0 CGADLP c1ccc2cc(NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]cc2c1 ZINC000631059246 350938717 /nfs/dbraw/zinc/93/87/17/350938717.db2.gz REZXIDSLRAYNQE-CYBMUJFWSA-N 2 2 267.376 3.131 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631657355 351108206 /nfs/dbraw/zinc/10/82/06/351108206.db2.gz CAWUBGLTGZZMQL-GFCCVEGCSA-N 2 2 261.344 3.271 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634953235 351608978 /nfs/dbraw/zinc/60/89/78/351608978.db2.gz VPNUUDBNBPCPAJ-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634953235 351608980 /nfs/dbraw/zinc/60/89/80/351608980.db2.gz VPNUUDBNBPCPAJ-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000634996615 351621190 /nfs/dbraw/zinc/62/11/90/351621190.db2.gz PJPKIWONXFGOJM-FFDQMNFHSA-N 2 2 270.420 3.007 20 0 CGADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000634996615 351621194 /nfs/dbraw/zinc/62/11/94/351621194.db2.gz PJPKIWONXFGOJM-FFDQMNFHSA-N 2 2 270.420 3.007 20 0 CGADLP C[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CCc2ccc(Cl)cc21 ZINC000634996476 351621233 /nfs/dbraw/zinc/62/12/33/351621233.db2.gz LADZTHHKYACDEA-SFYCDEOASA-N 2 2 290.838 3.054 20 0 CGADLP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CCc2ccc(Cl)cc21 ZINC000634996476 351621237 /nfs/dbraw/zinc/62/12/37/351621237.db2.gz LADZTHHKYACDEA-SFYCDEOASA-N 2 2 290.838 3.054 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCSC2)n1-c1ccccc1 ZINC000122176667 187019419 /nfs/dbraw/zinc/01/94/19/187019419.db2.gz WCKOEKHVHTVJMM-AWEZNQCLSA-N 2 2 287.432 3.166 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000123167594 187075325 /nfs/dbraw/zinc/07/53/25/187075325.db2.gz OQSWKFQEOBPKNU-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3)o2)CC[N@H+]1C ZINC000123167594 187075326 /nfs/dbraw/zinc/07/53/26/187075326.db2.gz OQSWKFQEOBPKNU-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167594 187075327 /nfs/dbraw/zinc/07/53/27/187075327.db2.gz OQSWKFQEOBPKNU-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3)o2)CC[NH+]1C ZINC000123167594 187075328 /nfs/dbraw/zinc/07/53/28/187075328.db2.gz OQSWKFQEOBPKNU-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000365648352 234119912 /nfs/dbraw/zinc/11/99/12/234119912.db2.gz IVHXEMPZXGWXCC-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000365648352 234119917 /nfs/dbraw/zinc/11/99/17/234119917.db2.gz IVHXEMPZXGWXCC-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365620519 234116252 /nfs/dbraw/zinc/11/62/52/234116252.db2.gz CFQBUCAEDLXUJJ-INIZCTEOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365620519 234116256 /nfs/dbraw/zinc/11/62/56/234116256.db2.gz CFQBUCAEDLXUJJ-INIZCTEOSA-N 2 2 269.392 3.108 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000153676969 188097219 /nfs/dbraw/zinc/09/72/19/188097219.db2.gz IIRPSISTIRWEMI-OAHLLOKOSA-N 2 2 273.355 3.290 20 0 CGADLP C[C@@H]1CC[N@H+](CCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000154025940 188118148 /nfs/dbraw/zinc/11/81/48/188118148.db2.gz PLOQJOGJZPEPQQ-AEFFLSMTSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000154025940 188118150 /nfs/dbraw/zinc/11/81/50/188118150.db2.gz PLOQJOGJZPEPQQ-AEFFLSMTSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000155649495 188219435 /nfs/dbraw/zinc/21/94/35/188219435.db2.gz BUOXNUYCIVMMDH-NSHDSACASA-N 2 2 299.296 3.133 20 0 CGADLP CC1CC[NH+](Cc2ccc(NCc3c[nH+]cn3C)cc2)CC1 ZINC000156077959 188241602 /nfs/dbraw/zinc/24/16/02/188241602.db2.gz ZGVHFSVYHJHVEZ-UHFFFAOYSA-N 2 2 298.434 3.264 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122231 235341197 /nfs/dbraw/zinc/34/11/97/235341197.db2.gz IFKMBUAQELOWIA-PXAZEXFGSA-N 2 2 287.382 3.015 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccsc2S1 ZINC000423275918 291084124 /nfs/dbraw/zinc/08/41/24/291084124.db2.gz MIBVIYVRVDJNAV-AXTRIDKLSA-N 2 2 268.451 3.000 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414941394 235498429 /nfs/dbraw/zinc/49/84/29/235498429.db2.gz AQIBZFZKMPAXQS-AUUYWEPGSA-N 2 2 298.405 3.233 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1C1CC1 ZINC000415085870 235527002 /nfs/dbraw/zinc/52/70/02/235527002.db2.gz TYTHREHRGCHXRJ-HZSPNIEDSA-N 2 2 291.464 3.031 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000124375953 138374668 /nfs/dbraw/zinc/37/46/68/138374668.db2.gz NPAPTZDYXFFFML-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000124375953 138374669 /nfs/dbraw/zinc/37/46/69/138374669.db2.gz NPAPTZDYXFFFML-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000125060503 138379784 /nfs/dbraw/zinc/37/97/84/138379784.db2.gz WCUTXMBYMCFEIG-UHFFFAOYSA-N 2 2 272.795 3.301 20 0 CGADLP CCCN(CC[NH+](CC)CC)Cc1[nH+]ccn1C(C)C ZINC000122528889 283236100 /nfs/dbraw/zinc/23/61/00/283236100.db2.gz SPJJYHYOFDMEED-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](COC)C1CC1)c1ccccc1 ZINC000128109076 138392025 /nfs/dbraw/zinc/39/20/25/138392025.db2.gz PNNZYABYWZYXFZ-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000128433543 138392998 /nfs/dbraw/zinc/39/29/98/138392998.db2.gz LKHOSMNLLUKLQW-HNNXBMFYSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000128433543 138392999 /nfs/dbraw/zinc/39/29/99/138392999.db2.gz LKHOSMNLLUKLQW-HNNXBMFYSA-N 2 2 287.407 3.147 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccccc1 ZINC000423232936 236004568 /nfs/dbraw/zinc/00/45/68/236004568.db2.gz CUEITPFBERJQMR-RUXDESIVSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000423234144 236004854 /nfs/dbraw/zinc/00/48/54/236004854.db2.gz LBEPLSFXQDBNPT-SUMWQHHRSA-N 2 2 254.377 3.242 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423241741 236006557 /nfs/dbraw/zinc/00/65/57/236006557.db2.gz VJEAJOZHVOMMSJ-GJZGRUSLSA-N 2 2 298.352 3.498 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423241306 236006695 /nfs/dbraw/zinc/00/66/95/236006695.db2.gz LHVRNLBQGZTVJL-BLLLJJGKSA-N 2 2 258.340 3.176 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423244453 236007440 /nfs/dbraw/zinc/00/74/40/236007440.db2.gz XNTHEHNJXGANKP-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP [NH3+][C@H](C[NH2+]C1CCc2ccccc2CC1)c1ccccc1 ZINC000423243865 236007646 /nfs/dbraw/zinc/00/76/46/236007646.db2.gz GROWUWYQBSNRBA-LJQANCHMSA-N 2 2 280.415 3.224 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423253886 236009813 /nfs/dbraw/zinc/00/98/13/236009813.db2.gz WTOFBCFFESYSPI-UDTPNQRGSA-N 2 2 280.415 3.468 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000423270855 236016223 /nfs/dbraw/zinc/01/62/23/236016223.db2.gz XDHGBWWEWBOKPN-JSGCOSHPSA-N 2 2 250.386 3.146 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423276588 236018197 /nfs/dbraw/zinc/01/81/97/236018197.db2.gz NEXJVYWQWMGFDA-OAHLLOKOSA-N 2 2 275.440 3.353 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423314464 236036026 /nfs/dbraw/zinc/03/60/26/236036026.db2.gz HHMSUSGCQGPKEY-ISVAXAHUSA-N 2 2 273.207 3.381 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423362539 236050210 /nfs/dbraw/zinc/05/02/10/236050210.db2.gz BEJLEXYPNUVMKB-KBXCAEBGSA-N 2 2 286.419 3.244 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc2ccccc2o1 ZINC000423373197 236054186 /nfs/dbraw/zinc/05/41/86/236054186.db2.gz WKLVXFZKQCVDDM-DYEKYZERSA-N 2 2 258.365 3.081 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]C1CCC2(CC2)CC1 ZINC000423415011 236067369 /nfs/dbraw/zinc/06/73/69/236067369.db2.gz DBFRDLOYNNIADF-QGZVFWFLSA-N 2 2 270.420 3.186 20 0 CGADLP Cc1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(F)c2)c1 ZINC000423423467 236068196 /nfs/dbraw/zinc/06/81/96/236068196.db2.gz DOPCKRCEAVZCEM-HCXYKTFWSA-N 2 2 296.389 3.031 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423426101 236069190 /nfs/dbraw/zinc/06/91/90/236069190.db2.gz MRLOBCKWIROBQD-QZTJIDSGSA-N 2 2 270.420 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423561800 236099211 /nfs/dbraw/zinc/09/92/11/236099211.db2.gz QDTXIOVUHIFHQT-SMDDNHRTSA-N 2 2 252.789 3.133 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000424137451 236123552 /nfs/dbraw/zinc/12/35/52/236123552.db2.gz BXALHXHXZHNCHU-CHWSQXEVSA-N 2 2 282.378 3.236 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)cc2)c[nH+]1 ZINC000424169942 236127865 /nfs/dbraw/zinc/12/78/65/236127865.db2.gz KJXKUJDJPUPRAH-WMZOPIPTSA-N 2 2 281.403 3.398 20 0 CGADLP Cc1cccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH+]1 ZINC000425273865 236226018 /nfs/dbraw/zinc/22/60/18/236226018.db2.gz KFQSRZDXWOCAFU-ZWKOTPCHSA-N 2 2 293.414 3.101 20 0 CGADLP Cc1cccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[nH+]1 ZINC000425273865 236226020 /nfs/dbraw/zinc/22/60/20/236226020.db2.gz KFQSRZDXWOCAFU-ZWKOTPCHSA-N 2 2 293.414 3.101 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000294823277 199199926 /nfs/dbraw/zinc/19/99/26/199199926.db2.gz MWPGFZIVTUGQJA-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000294823277 199199928 /nfs/dbraw/zinc/19/99/28/199199928.db2.gz MWPGFZIVTUGQJA-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436409789 237096718 /nfs/dbraw/zinc/09/67/18/237096718.db2.gz JEPOTCFZDMDCIB-UHFFFAOYSA-N 2 2 283.350 3.343 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000437118547 237255506 /nfs/dbraw/zinc/25/55/06/237255506.db2.gz WSCVLIHOSRDYAV-ROUUACIJSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC[N@@H+]1C ZINC000437779496 237347556 /nfs/dbraw/zinc/34/75/56/237347556.db2.gz VDKMWCIFWPNGNI-QXCFHYIPSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC[N@H+]1C ZINC000437779496 237347561 /nfs/dbraw/zinc/34/75/61/237347561.db2.gz VDKMWCIFWPNGNI-QXCFHYIPSA-N 2 2 286.463 3.470 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3C3CCC3)cn2)c[nH+]1 ZINC000177114060 189029783 /nfs/dbraw/zinc/02/97/83/189029783.db2.gz KUKISRCJABUJMV-INIZCTEOSA-N 2 2 282.391 3.032 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cn2)c[nH+]1 ZINC000177114060 189029784 /nfs/dbraw/zinc/02/97/84/189029784.db2.gz KUKISRCJABUJMV-INIZCTEOSA-N 2 2 282.391 3.032 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)CCCOC)[NH+](C)C)cc1 ZINC000178061186 189088603 /nfs/dbraw/zinc/08/86/03/189088603.db2.gz IUXXLDMWSARKPI-CRAIPNDOSA-N 2 2 292.467 3.256 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177956150 189081628 /nfs/dbraw/zinc/08/16/28/189081628.db2.gz WEOJDFMUDJNDOY-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177956150 189081629 /nfs/dbraw/zinc/08/16/29/189081629.db2.gz WEOJDFMUDJNDOY-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCC1 ZINC000178586460 189128657 /nfs/dbraw/zinc/12/86/57/189128657.db2.gz QJMBOKUHNIYGBA-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000179354894 189188450 /nfs/dbraw/zinc/18/84/50/189188450.db2.gz PZEFEYXOHSTSGQ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000179354894 189188451 /nfs/dbraw/zinc/18/84/51/189188451.db2.gz PZEFEYXOHSTSGQ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000179354894 189188452 /nfs/dbraw/zinc/18/84/52/189188452.db2.gz PZEFEYXOHSTSGQ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000179354894 189188453 /nfs/dbraw/zinc/18/84/53/189188453.db2.gz PZEFEYXOHSTSGQ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1N(C)C ZINC000179415914 189192417 /nfs/dbraw/zinc/19/24/17/189192417.db2.gz ZQNDXPMMZRTCOR-HNNXBMFYSA-N 2 2 298.434 3.300 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179479289 189197284 /nfs/dbraw/zinc/19/72/84/189197284.db2.gz SXXHBTXAQZNOOR-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179479289 189197285 /nfs/dbraw/zinc/19/72/85/189197285.db2.gz SXXHBTXAQZNOOR-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000179667258 189211677 /nfs/dbraw/zinc/21/16/77/189211677.db2.gz VBFDXNWNIAQQFQ-HNNXBMFYSA-N 2 2 287.407 3.411 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179682596 189213705 /nfs/dbraw/zinc/21/37/05/189213705.db2.gz JTMDIVOJYFKNAR-LBPRGKRZSA-N 2 2 255.321 3.120 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179682596 189213706 /nfs/dbraw/zinc/21/37/06/189213706.db2.gz JTMDIVOJYFKNAR-LBPRGKRZSA-N 2 2 255.321 3.120 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCSC3)c2)c[nH+]1 ZINC000342298317 216299629 /nfs/dbraw/zinc/29/96/29/216299629.db2.gz RZSREGMSTYRRKV-LBPRGKRZSA-N 2 2 293.461 3.167 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301508011 201036919 /nfs/dbraw/zinc/03/69/19/201036919.db2.gz DIGSEMQMCPHNKX-STQMWFEESA-N 2 2 276.428 3.059 20 0 CGADLP C[C@H]1CCC[N@H+](CCNc2cc[nH+]c3ccsc32)C1 ZINC000301513525 201039221 /nfs/dbraw/zinc/03/92/21/201039221.db2.gz JFPXSNGMTYDFOR-LBPRGKRZSA-N 2 2 275.421 3.440 20 0 CGADLP C[C@H]1CCC[N@@H+](CCNc2cc[nH+]c3ccsc32)C1 ZINC000301513525 201039223 /nfs/dbraw/zinc/03/92/23/201039223.db2.gz JFPXSNGMTYDFOR-LBPRGKRZSA-N 2 2 275.421 3.440 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3o2)CC1 ZINC000182452225 189323997 /nfs/dbraw/zinc/32/39/97/189323997.db2.gz CYSWZTYSXQXVIX-CYBMUJFWSA-N 2 2 287.407 3.351 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301607848 201091926 /nfs/dbraw/zinc/09/19/26/201091926.db2.gz ODIVNURNNXSEOC-CQSZACIVSA-N 2 2 290.455 3.164 20 0 CGADLP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301607848 201091929 /nfs/dbraw/zinc/09/19/29/201091929.db2.gz ODIVNURNNXSEOC-CQSZACIVSA-N 2 2 290.455 3.164 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182614597 189329088 /nfs/dbraw/zinc/32/90/88/189329088.db2.gz OFGGCLJEWBCKDV-KRWDZBQOSA-N 2 2 285.391 3.119 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182614597 189329089 /nfs/dbraw/zinc/32/90/89/189329089.db2.gz OFGGCLJEWBCKDV-KRWDZBQOSA-N 2 2 285.391 3.119 20 0 CGADLP CCCOc1ccc2c(c1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000182966377 189341080 /nfs/dbraw/zinc/34/10/80/189341080.db2.gz NSEXNMLHFIFPMW-UHFFFAOYSA-N 2 2 299.418 3.120 20 0 CGADLP CCCOc1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000182966377 189341081 /nfs/dbraw/zinc/34/10/81/189341081.db2.gz NSEXNMLHFIFPMW-UHFFFAOYSA-N 2 2 299.418 3.120 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301884697 201247246 /nfs/dbraw/zinc/24/72/46/201247246.db2.gz JRAZUHXFFXSOIG-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000301884697 201247248 /nfs/dbraw/zinc/24/72/48/201247248.db2.gz JRAZUHXFFXSOIG-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP CCN(CC)c1ccc(CNc2[nH]c3ccccc3[nH+]2)c[nH+]1 ZINC000301865136 201239055 /nfs/dbraw/zinc/23/90/55/201239055.db2.gz GZMNFIVTLAWNEO-UHFFFAOYSA-N 2 2 295.390 3.416 20 0 CGADLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc2ccccc21 ZINC000449015996 239117021 /nfs/dbraw/zinc/11/70/21/239117021.db2.gz UYZKEZPVPNYQDA-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449071857 239158985 /nfs/dbraw/zinc/15/89/85/239158985.db2.gz CCYIGVJUBBLFSU-ZIAGYGMSSA-N 2 2 283.375 3.239 20 0 CGADLP CSCC1CCC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449078988 239164231 /nfs/dbraw/zinc/16/42/31/239164231.db2.gz NFEYRVYJQCFFIR-FHERZECASA-N 2 2 284.513 3.230 20 0 CGADLP CSCC1CCC([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000449078988 239164236 /nfs/dbraw/zinc/16/42/36/239164236.db2.gz NFEYRVYJQCFFIR-FHERZECASA-N 2 2 284.513 3.230 20 0 CGADLP CCc1cc(NCc2ccccc2-n2cc[nH+]c2)nc(C)[nH+]1 ZINC000302115083 201347802 /nfs/dbraw/zinc/34/78/02/201347802.db2.gz VSXBTEKHZKSHEZ-UHFFFAOYSA-N 2 2 293.374 3.145 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194844 239235555 /nfs/dbraw/zinc/23/55/55/239235555.db2.gz PPYQEKDVQGKIFU-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccoc21 ZINC000449194844 239235561 /nfs/dbraw/zinc/23/55/61/239235561.db2.gz PPYQEKDVQGKIFU-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000449401264 239383611 /nfs/dbraw/zinc/38/36/11/239383611.db2.gz GHTNGDWCNMJUQN-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000449401264 239383618 /nfs/dbraw/zinc/38/36/18/239383618.db2.gz GHTNGDWCNMJUQN-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP FC1(F)CC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000450716014 240045555 /nfs/dbraw/zinc/04/55/55/240045555.db2.gz NRWOEHXDRCPNOF-UHFFFAOYSA-N 2 2 297.393 3.421 20 0 CGADLP Cc1ccc[nH+]c1CCCNc1cc[nH+]c(C)c1Cl ZINC000450722842 240051343 /nfs/dbraw/zinc/05/13/43/240051343.db2.gz FHYQHNKDGRIAPH-UHFFFAOYSA-N 2 2 275.783 3.213 20 0 CGADLP c1coc([C@@H]2[N@H+](CCCn3cc[nH+]c3)CC23CCC3)c1 ZINC000451851385 240370492 /nfs/dbraw/zinc/37/04/92/240370492.db2.gz IYCSCJIHUCHDAL-HNNXBMFYSA-N 2 2 271.364 3.093 20 0 CGADLP c1coc([C@@H]2[N@@H+](CCCn3cc[nH+]c3)CC23CCC3)c1 ZINC000451851385 240370495 /nfs/dbraw/zinc/37/04/95/240370495.db2.gz IYCSCJIHUCHDAL-HNNXBMFYSA-N 2 2 271.364 3.093 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])Cc2ccccc2)ccc1F ZINC000220355529 189722930 /nfs/dbraw/zinc/72/29/30/189722930.db2.gz POODDGGRXJJANH-UHFFFAOYSA-N 2 2 272.367 3.095 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])Cc2ccccc2)ccc1F ZINC000220355529 189722931 /nfs/dbraw/zinc/72/29/31/189722931.db2.gz POODDGGRXJJANH-UHFFFAOYSA-N 2 2 272.367 3.095 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275741789 193117261 /nfs/dbraw/zinc/11/72/61/193117261.db2.gz RIWZKRUOOKRGTP-NJAFHUGGSA-N 2 2 283.419 3.273 20 0 CGADLP CC(C)C1CCC([N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459419011 242101824 /nfs/dbraw/zinc/10/18/24/242101824.db2.gz GUJRZZCTEGMEHX-UHFFFAOYSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C1CCC([N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459419011 242101830 /nfs/dbraw/zinc/10/18/30/242101830.db2.gz GUJRZZCTEGMEHX-UHFFFAOYSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@@H+]1C ZINC000459471216 242120285 /nfs/dbraw/zinc/12/02/85/242120285.db2.gz BHCUBJPWVMEWJQ-YKWDICOMSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@H+]1C ZINC000459471216 242120290 /nfs/dbraw/zinc/12/02/90/242120290.db2.gz BHCUBJPWVMEWJQ-YKWDICOMSA-N 2 2 272.436 3.179 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2(C3CCC3)CCC2)[nH+]1 ZINC000459729554 242196978 /nfs/dbraw/zinc/19/69/78/242196978.db2.gz AXOLZLBHFYSASD-UHFFFAOYSA-N 2 2 255.365 3.147 20 0 CGADLP COC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000275906840 193159345 /nfs/dbraw/zinc/15/93/45/193159345.db2.gz TXRCUDVZVWSMBE-KRWDZBQOSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000480272311 243143783 /nfs/dbraw/zinc/14/37/83/243143783.db2.gz COKXNRRQEACVOJ-NVXWUHKLSA-N 2 2 260.425 3.458 20 0 CGADLP C(=C/c1ccncc1)\C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000486940020 243381599 /nfs/dbraw/zinc/38/15/99/243381599.db2.gz PDLFETZMSGKMJI-HWKANZROSA-N 2 2 292.386 3.194 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000123186048 370909923 /nfs/dbraw/zinc/90/99/23/370909923.db2.gz GPJYSPZBKDKBCZ-VOMCLLRMSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000123186048 370909926 /nfs/dbraw/zinc/90/99/26/370909926.db2.gz GPJYSPZBKDKBCZ-VOMCLLRMSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000020092012 368801211 /nfs/dbraw/zinc/80/12/11/368801211.db2.gz WODZAWSIUAHPIP-STQMWFEESA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000020092012 368801216 /nfs/dbraw/zinc/80/12/16/368801216.db2.gz WODZAWSIUAHPIP-STQMWFEESA-N 2 2 252.427 3.273 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]CC[NH+]1CCCC1 ZINC000022871663 368811898 /nfs/dbraw/zinc/81/18/98/368811898.db2.gz HVEUXEFPPVXENP-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000019942951 368788414 /nfs/dbraw/zinc/78/84/14/368788414.db2.gz ZMQVLDWIZYCFKV-ZDUSSCGKSA-N 2 2 252.377 3.208 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842683 369033290 /nfs/dbraw/zinc/03/32/90/369033290.db2.gz QHQTXFJHNXOSGA-YMAMQOFZSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842683 369033297 /nfs/dbraw/zinc/03/32/97/369033297.db2.gz QHQTXFJHNXOSGA-YMAMQOFZSA-N 2 2 276.399 3.146 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000037210964 369075156 /nfs/dbraw/zinc/07/51/56/369075156.db2.gz OVXSBJHHBPLGEW-ZDUSSCGKSA-N 2 2 282.403 3.217 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000037273175 369080575 /nfs/dbraw/zinc/08/05/75/369080575.db2.gz LHXMRNHFHVIDEJ-HNNXBMFYSA-N 2 2 261.413 3.075 20 0 CGADLP COc1cccc([C@H](CNc2cccc(C)[nH+]2)[NH+](C)C)c1 ZINC000037670512 369099039 /nfs/dbraw/zinc/09/90/39/369099039.db2.gz BDLOUAOSYKTFMO-INIZCTEOSA-N 2 2 285.391 3.113 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000037089752 369060339 /nfs/dbraw/zinc/06/03/39/369060339.db2.gz VTNKIBILHKIOIS-ZDUSSCGKSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000343528818 216808852 /nfs/dbraw/zinc/80/88/52/216808852.db2.gz BUQQTQPHDAAKKG-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCCCCC1)c1ccccc1 ZINC000040433267 369154832 /nfs/dbraw/zinc/15/48/32/369154832.db2.gz XJKQFILUSOYYQA-INIZCTEOSA-N 2 2 260.425 3.256 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000041119160 369174009 /nfs/dbraw/zinc/17/40/09/369174009.db2.gz ZWSNWDWGSNWNQD-CQSZACIVSA-N 2 2 263.772 3.277 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000041119004 369174103 /nfs/dbraw/zinc/17/41/03/369174103.db2.gz FTMMRMCWCKIAAO-NSHDSACASA-N 2 2 283.297 3.253 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000493905361 244251596 /nfs/dbraw/zinc/25/15/96/244251596.db2.gz HOTKDGBFTVUHQJ-INIZCTEOSA-N 2 2 296.842 3.101 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494433513 244288794 /nfs/dbraw/zinc/28/87/94/244288794.db2.gz WDKAMWZBSBUBIV-QGZVFWFLSA-N 2 2 283.419 3.186 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045663172 369283985 /nfs/dbraw/zinc/28/39/85/369283985.db2.gz VYABXZFHKNENIX-CQSZACIVSA-N 2 2 264.413 3.078 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495016078 244346715 /nfs/dbraw/zinc/34/67/15/244346715.db2.gz GXFNHMYISPMXGZ-PMPSAXMXSA-N 2 2 291.439 3.184 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495016078 244346718 /nfs/dbraw/zinc/34/67/18/244346718.db2.gz GXFNHMYISPMXGZ-PMPSAXMXSA-N 2 2 291.439 3.184 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000049538771 369407347 /nfs/dbraw/zinc/40/73/47/369407347.db2.gz RHNOIGJAQQKGAT-YGRLFVJLSA-N 2 2 275.421 3.111 20 0 CGADLP COCc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)o1 ZINC000129038538 370971929 /nfs/dbraw/zinc/97/19/29/370971929.db2.gz GCQUNUOKBWQRKV-UHFFFAOYSA-N 2 2 282.428 3.025 20 0 CGADLP C[NH+]1CCC([NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000129516292 370991674 /nfs/dbraw/zinc/99/16/74/370991674.db2.gz YIHSCIJYLVAETD-NSHDSACASA-N 2 2 270.829 3.073 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194754 369643344 /nfs/dbraw/zinc/64/33/44/369643344.db2.gz YMOMMZSDZZQNLK-BLLLJJGKSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194754 369643351 /nfs/dbraw/zinc/64/33/51/369643351.db2.gz YMOMMZSDZZQNLK-BLLLJJGKSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccnc1 ZINC000186329502 296148911 /nfs/dbraw/zinc/14/89/11/296148911.db2.gz GLKCEINOKHQPMZ-VKJFTORMSA-N 2 2 283.419 3.424 20 0 CGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000069752439 369769133 /nfs/dbraw/zinc/76/91/33/369769133.db2.gz ZDYJAPNRGPQMSQ-UHFFFAOYSA-N 2 2 288.366 3.173 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171846 369786536 /nfs/dbraw/zinc/78/65/36/369786536.db2.gz SIIRFVFVHLCHSF-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171846 369786541 /nfs/dbraw/zinc/78/65/41/369786541.db2.gz SIIRFVFVHLCHSF-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000537747085 376199394 /nfs/dbraw/zinc/19/93/94/376199394.db2.gz AFWAJWSQGZRJKK-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000537747085 376199400 /nfs/dbraw/zinc/19/94/00/376199400.db2.gz AFWAJWSQGZRJKK-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043235 370089312 /nfs/dbraw/zinc/08/93/12/370089312.db2.gz OUKXBYZYVIQATM-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043235 370089316 /nfs/dbraw/zinc/08/93/16/370089316.db2.gz OUKXBYZYVIQATM-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043235 370089317 /nfs/dbraw/zinc/08/93/17/370089317.db2.gz OUKXBYZYVIQATM-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043235 370089321 /nfs/dbraw/zinc/08/93/21/370089321.db2.gz OUKXBYZYVIQATM-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093643792 370149759 /nfs/dbraw/zinc/14/97/59/370149759.db2.gz RZGRLIYNRWPKIW-STQMWFEESA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093643792 370149765 /nfs/dbraw/zinc/14/97/65/370149765.db2.gz RZGRLIYNRWPKIW-STQMWFEESA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000093643792 370149770 /nfs/dbraw/zinc/14/97/70/370149770.db2.gz RZGRLIYNRWPKIW-STQMWFEESA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000093643792 370149773 /nfs/dbraw/zinc/14/97/73/370149773.db2.gz RZGRLIYNRWPKIW-STQMWFEESA-N 2 2 281.469 3.181 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@@H+]1C ZINC000093644934 370152375 /nfs/dbraw/zinc/15/23/75/370152375.db2.gz RQDSKPFZWWERDW-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@H+]1C ZINC000093644934 370152381 /nfs/dbraw/zinc/15/23/81/370152381.db2.gz RQDSKPFZWWERDW-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644934 370152386 /nfs/dbraw/zinc/15/23/86/370152386.db2.gz RQDSKPFZWWERDW-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644934 370152390 /nfs/dbraw/zinc/15/23/90/370152390.db2.gz RQDSKPFZWWERDW-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000111243462 370395139 /nfs/dbraw/zinc/39/51/39/370395139.db2.gz YIMMPUQABXAOTG-UHFFFAOYSA-N 2 2 290.436 3.300 20 0 CGADLP CCCC1CCC([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000511702980 245001327 /nfs/dbraw/zinc/00/13/27/245001327.db2.gz XUTYEWOTCSVXTG-ABHNRTSZSA-N 2 2 296.499 3.292 20 0 CGADLP CCCC1CCC([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000511702980 245001332 /nfs/dbraw/zinc/00/13/32/245001332.db2.gz XUTYEWOTCSVXTG-ABHNRTSZSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccsc2S1 ZINC000130205819 371018568 /nfs/dbraw/zinc/01/85/68/371018568.db2.gz SBKBPXSZPRKRIC-JQWIXIFHSA-N 2 2 279.434 3.160 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1C ZINC000130751787 371057540 /nfs/dbraw/zinc/05/75/40/371057540.db2.gz JHYJCCRVHXWMLW-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1C ZINC000130751787 371057546 /nfs/dbraw/zinc/05/75/46/371057546.db2.gz JHYJCCRVHXWMLW-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C1CC1 ZINC000131038478 371078544 /nfs/dbraw/zinc/07/85/44/371078544.db2.gz WRLXPBYUHAJGDJ-CABCVRRESA-N 2 2 298.434 3.006 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000494952756 296165986 /nfs/dbraw/zinc/16/59/86/296165986.db2.gz CYMUIAUYSFGETI-VUBIOHBQSA-N 2 2 260.425 3.312 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256075 371161128 /nfs/dbraw/zinc/16/11/28/371161128.db2.gz XKTKCNYGQLAVNW-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256075 371161132 /nfs/dbraw/zinc/16/11/32/371161132.db2.gz XKTKCNYGQLAVNW-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP CC(C)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000133000760 371219114 /nfs/dbraw/zinc/21/91/14/371219114.db2.gz RGKQARJZPQZEGN-UHFFFAOYSA-N 2 2 261.413 3.037 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000133176782 371232753 /nfs/dbraw/zinc/23/27/53/371232753.db2.gz ZKGQXYMNJDFLPR-ZBFHGGJFSA-N 2 2 258.409 3.042 20 0 CGADLP c1coc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000133687742 371271324 /nfs/dbraw/zinc/27/13/24/371271324.db2.gz KKPPHCDWUKVSOE-WBVHZDCISA-N 2 2 270.376 3.101 20 0 CGADLP c1c2ccccc2sc1C[NH2+]CC[NH+]1CCCC1 ZINC000135019195 371385163 /nfs/dbraw/zinc/38/51/63/371385163.db2.gz AUQJGGOSHPKIIF-UHFFFAOYSA-N 2 2 260.406 3.087 20 0 CGADLP CN(c1cc(C(F)(F)F)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286518784 371513485 /nfs/dbraw/zinc/51/34/85/371513485.db2.gz XSBUQSHLEMTKKA-FUNVUKJBSA-N 2 2 299.340 3.162 20 0 CGADLP CN(c1cc(C(F)(F)F)cc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286518784 371513494 /nfs/dbraw/zinc/51/34/94/371513494.db2.gz XSBUQSHLEMTKKA-FUNVUKJBSA-N 2 2 299.340 3.162 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000151125051 371572417 /nfs/dbraw/zinc/57/24/17/371572417.db2.gz HUNVCQZZNWWXRC-LBPRGKRZSA-N 2 2 293.411 3.485 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000151542927 371611279 /nfs/dbraw/zinc/61/12/79/371611279.db2.gz KKWMBYGHHFYKFS-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccncc1Cl)C[NH+]1CCCC1 ZINC000421822630 371645237 /nfs/dbraw/zinc/64/52/37/371645237.db2.gz XMVITMCDICNIFK-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421825029 371647554 /nfs/dbraw/zinc/64/75/54/371647554.db2.gz LIYBRUJCGAMGIP-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421825029 371647556 /nfs/dbraw/zinc/64/75/56/371647556.db2.gz LIYBRUJCGAMGIP-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000421824705 371647803 /nfs/dbraw/zinc/64/78/03/371647803.db2.gz JXTPIOHJRMRKJM-RISCZKNCSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000421824705 371647809 /nfs/dbraw/zinc/64/78/09/371647809.db2.gz JXTPIOHJRMRKJM-RISCZKNCSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000287391863 371649190 /nfs/dbraw/zinc/64/91/90/371649190.db2.gz QFGGFMJHHJASNY-YOEHRIQHSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000287391863 371649194 /nfs/dbraw/zinc/64/91/94/371649194.db2.gz QFGGFMJHHJASNY-YOEHRIQHSA-N 2 2 290.476 3.135 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCC1 ZINC000421839524 371662750 /nfs/dbraw/zinc/66/27/50/371662750.db2.gz XIYBVCNRADXKFV-LSDHHAIUSA-N 2 2 291.439 3.006 20 0 CGADLP CCCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422749199 371782048 /nfs/dbraw/zinc/78/20/48/371782048.db2.gz XZQOLMXPJWZXSL-SJORKVTESA-N 2 2 276.424 3.268 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)COC(C)C ZINC000337326814 214009360 /nfs/dbraw/zinc/00/93/60/214009360.db2.gz CQBSGDNCLWHWOB-AWEZNQCLSA-N 2 2 289.423 3.138 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337333205 214012892 /nfs/dbraw/zinc/01/28/92/214012892.db2.gz JGNNKCZOPGNEGB-AEFFLSMTSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337333205 214012894 /nfs/dbraw/zinc/01/28/94/214012894.db2.gz JGNNKCZOPGNEGB-AEFFLSMTSA-N 2 2 290.451 3.054 20 0 CGADLP CCSCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000337376150 214038760 /nfs/dbraw/zinc/03/87/60/214038760.db2.gz GTICNYATTOTXKD-UHFFFAOYSA-N 2 2 252.427 3.055 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422791107 371811309 /nfs/dbraw/zinc/81/13/09/371811309.db2.gz VJASZXOJADVIEQ-UHIISALHSA-N 2 2 297.240 3.240 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000344081590 217043071 /nfs/dbraw/zinc/04/30/71/217043071.db2.gz COZIGOSAHJJIDM-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000344081590 217043074 /nfs/dbraw/zinc/04/30/74/217043074.db2.gz COZIGOSAHJJIDM-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422874712 371848147 /nfs/dbraw/zinc/84/81/47/371848147.db2.gz AQMRHWAGAXIOBN-NUEKZKHPSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@H]1CCCC[NH2+]1 ZINC000423052554 371935476 /nfs/dbraw/zinc/93/54/76/371935476.db2.gz QRWMDKFGNPSDMN-DNVCBOLYSA-N 2 2 295.430 3.369 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000423053295 371937498 /nfs/dbraw/zinc/93/74/98/371937498.db2.gz AIJGILXUDBEUIG-IKGGRYGDSA-N 2 2 298.361 3.384 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000155731124 371941678 /nfs/dbraw/zinc/94/16/78/371941678.db2.gz LAPWXWCSBRUDGB-AWEZNQCLSA-N 2 2 295.333 3.225 20 0 CGADLP CCCOc1ncccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422971885 371897738 /nfs/dbraw/zinc/89/77/38/371897738.db2.gz KAQABGTUJSKZAJ-IAGOWNOFSA-N 2 2 297.402 3.105 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422993826 371905509 /nfs/dbraw/zinc/90/55/09/371905509.db2.gz GKSRKNRWAPRNFT-KBPBESRZSA-N 2 2 286.341 3.354 20 0 CGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000423020555 371918796 /nfs/dbraw/zinc/91/87/96/371918796.db2.gz BYJBEJJOAATELJ-OGHNNQOOSA-N 2 2 287.382 3.026 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000423046252 371930831 /nfs/dbraw/zinc/93/08/31/371930831.db2.gz SZFSNPSZYHTPSE-MNOVXSKESA-N 2 2 268.367 3.461 20 0 CGADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000423046253 371931544 /nfs/dbraw/zinc/93/15/44/371931544.db2.gz SZFSNPSZYHTPSE-QWRGUYRKSA-N 2 2 268.367 3.461 20 0 CGADLP C[C@@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423092510 371959034 /nfs/dbraw/zinc/95/90/34/371959034.db2.gz CBXGEONLSGFNBD-DZRCGBNOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306027 371959911 /nfs/dbraw/zinc/95/99/11/371959911.db2.gz IIJSZRPZFSYEKG-YICQSFOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306027 371959914 /nfs/dbraw/zinc/95/99/14/371959914.db2.gz IIJSZRPZFSYEKG-YICQSFOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306027 371959916 /nfs/dbraw/zinc/95/99/16/371959916.db2.gz IIJSZRPZFSYEKG-YICQSFOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306027 371959922 /nfs/dbraw/zinc/95/99/22/371959922.db2.gz IIJSZRPZFSYEKG-YICQSFOJSA-N 2 2 292.373 3.004 20 0 CGADLP CCCC[C@@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290373745 371974006 /nfs/dbraw/zinc/97/40/06/371974006.db2.gz NNWAJHOMBRREMK-INIZCTEOSA-N 2 2 264.413 3.117 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423127302 371980185 /nfs/dbraw/zinc/98/01/85/371980185.db2.gz BULCVVWZPUOYFL-FZMZJTMJSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000423127307 371981037 /nfs/dbraw/zinc/98/10/37/371981037.db2.gz BULCVVWZPUOYFL-SMDDNHRTSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129182 371982700 /nfs/dbraw/zinc/98/27/00/371982700.db2.gz DYYLOMVLMPMZSQ-WFASDCNBSA-N 2 2 274.433 3.031 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1COc2ccccc21 ZINC000290257292 371947279 /nfs/dbraw/zinc/94/72/79/371947279.db2.gz WGZKOOQMUIWMJA-INIZCTEOSA-N 2 2 282.387 3.088 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC2(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423083676 371954603 /nfs/dbraw/zinc/95/46/03/371954603.db2.gz GGBLWOBFMVEWNG-IAGOWNOFSA-N 2 2 288.435 3.268 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000423188600 372015726 /nfs/dbraw/zinc/01/57/26/372015726.db2.gz LSDVENSIVQZKET-OLZOCXBDSA-N 2 2 252.427 3.177 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423201933 372027225 /nfs/dbraw/zinc/02/72/25/372027225.db2.gz JRDDKYPWYQMFOI-STQMWFEESA-N 2 2 284.856 3.162 20 0 CGADLP Clc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000344156963 217079718 /nfs/dbraw/zinc/07/97/18/217079718.db2.gz TZWDFSBBYOELNV-UHFFFAOYSA-N 2 2 279.771 3.310 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000344166166 217081248 /nfs/dbraw/zinc/08/12/48/217081248.db2.gz JTXRDQKEWNRNJS-LSDHHAIUSA-N 2 2 291.439 3.067 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423243263 372041278 /nfs/dbraw/zinc/04/12/78/372041278.db2.gz JXEOOVHBBFEFLP-INIZCTEOSA-N 2 2 276.424 3.223 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177902 372006977 /nfs/dbraw/zinc/00/69/77/372006977.db2.gz BFFLIGBOYYBNOU-IINYFYTJSA-N 2 2 285.218 3.322 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000423525070 372070002 /nfs/dbraw/zinc/07/00/02/372070002.db2.gz KCIWUFUCMKGZEG-SLFFLAALSA-N 2 2 292.426 3.409 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672203 541867816 /nfs/dbraw/zinc/86/78/16/541867816.db2.gz PHIHIUXJKWPDSZ-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672203 541867819 /nfs/dbraw/zinc/86/78/19/541867819.db2.gz PHIHIUXJKWPDSZ-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000427858657 372177591 /nfs/dbraw/zinc/17/75/91/372177591.db2.gz UFOSCYSOYKXSFA-BZSNNMDCSA-N 2 2 295.430 3.199 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000040673037 541869442 /nfs/dbraw/zinc/86/94/42/541869442.db2.gz RDUMOZJBTUTBFY-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000040673037 541869445 /nfs/dbraw/zinc/86/94/45/541869445.db2.gz RDUMOZJBTUTBFY-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293036720 372284506 /nfs/dbraw/zinc/28/45/06/372284506.db2.gz RYGAPFFDAOIQPW-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293036720 372284512 /nfs/dbraw/zinc/28/45/12/372284512.db2.gz RYGAPFFDAOIQPW-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293036720 372284514 /nfs/dbraw/zinc/28/45/14/372284514.db2.gz RYGAPFFDAOIQPW-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293036720 372284518 /nfs/dbraw/zinc/28/45/18/372284518.db2.gz RYGAPFFDAOIQPW-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344320655 217148645 /nfs/dbraw/zinc/14/86/45/217148645.db2.gz DMTACEGPDIQGCY-RHSMWYFYSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344320655 217148647 /nfs/dbraw/zinc/14/86/47/217148647.db2.gz DMTACEGPDIQGCY-RHSMWYFYSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccccc2)cc[nH+]1 ZINC000161881459 372358738 /nfs/dbraw/zinc/35/87/38/372358738.db2.gz OLLOYLUNYVYSLZ-UHFFFAOYSA-N 2 2 298.434 3.168 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000162226680 372382489 /nfs/dbraw/zinc/38/24/89/372382489.db2.gz LXHCPBXOEJIWRZ-AWEZNQCLSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000162226680 372382494 /nfs/dbraw/zinc/38/24/94/372382494.db2.gz LXHCPBXOEJIWRZ-AWEZNQCLSA-N 2 2 298.415 3.330 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cscn1 ZINC000162329017 372387294 /nfs/dbraw/zinc/38/72/94/372387294.db2.gz GTSDJCDDKJFEOL-LLVKDONJSA-N 2 2 286.404 3.152 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@H+](C)[C@@H]3C)ccc2c1 ZINC000344341098 217158947 /nfs/dbraw/zinc/15/89/47/217158947.db2.gz BOWKODYLXIKYGI-KUHUBIRLSA-N 2 2 298.430 3.421 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+](C)[C@@H]3C)ccc2c1 ZINC000344341098 217158950 /nfs/dbraw/zinc/15/89/50/217158950.db2.gz BOWKODYLXIKYGI-KUHUBIRLSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000344343489 217161185 /nfs/dbraw/zinc/16/11/85/217161185.db2.gz CYXQZXNHUBXRJN-SMDDNHRTSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@H+]1C ZINC000344343489 217161188 /nfs/dbraw/zinc/16/11/88/217161188.db2.gz CYXQZXNHUBXRJN-SMDDNHRTSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000163394305 372466978 /nfs/dbraw/zinc/46/69/78/372466978.db2.gz BLCRKLIHOFIETF-LBPRGKRZSA-N 2 2 266.351 3.183 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000163404942 372467156 /nfs/dbraw/zinc/46/71/56/372467156.db2.gz QHHDTLAJSIWMPR-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000163404942 372467160 /nfs/dbraw/zinc/46/71/60/372467160.db2.gz QHHDTLAJSIWMPR-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP COC1(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000293879132 372511564 /nfs/dbraw/zinc/51/15/64/372511564.db2.gz TYLFESUWGZJTRL-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165378983 372549632 /nfs/dbraw/zinc/54/96/32/372549632.db2.gz KCTBCWDIXGHXDA-ZDUSSCGKSA-N 2 2 264.388 3.178 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCCOc3ccccc3)CC2)[nH+]1 ZINC000434983127 372721680 /nfs/dbraw/zinc/72/16/80/372721680.db2.gz SYQOUURLEJHTPG-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP Cc1cccn2c(C[NH2+]CCCC(F)(F)F)c[nH+]c12 ZINC000344545627 217227195 /nfs/dbraw/zinc/22/71/95/217227195.db2.gz SBBGRSGNTRWYTL-UHFFFAOYSA-N 2 2 271.286 3.075 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434797607 372714300 /nfs/dbraw/zinc/71/43/00/372714300.db2.gz ZFJVRILSCMADQZ-OAJJDEHYSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434797607 372714304 /nfs/dbraw/zinc/71/43/04/372714304.db2.gz ZFJVRILSCMADQZ-OAJJDEHYSA-N 2 2 288.410 3.445 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000435369566 372753592 /nfs/dbraw/zinc/75/35/92/372753592.db2.gz FCUMTCDXXZZYTE-UHFFFAOYSA-N 2 2 270.376 3.130 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000435876256 372824524 /nfs/dbraw/zinc/82/45/24/372824524.db2.gz HQZSEQKHARHRPV-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000435876256 372824530 /nfs/dbraw/zinc/82/45/30/372824530.db2.gz HQZSEQKHARHRPV-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569245 372830857 /nfs/dbraw/zinc/83/08/57/372830857.db2.gz ZVALYVFBWNYVAR-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569245 372830866 /nfs/dbraw/zinc/83/08/66/372830866.db2.gz ZVALYVFBWNYVAR-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569245 372830873 /nfs/dbraw/zinc/83/08/73/372830873.db2.gz ZVALYVFBWNYVAR-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569245 372830884 /nfs/dbraw/zinc/83/08/84/372830884.db2.gz ZVALYVFBWNYVAR-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000353465375 220097818 /nfs/dbraw/zinc/09/78/18/220097818.db2.gz TURNUSWTPLGWMV-QWHCGFSZSA-N 2 2 293.361 3.161 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000438206742 372912653 /nfs/dbraw/zinc/91/26/53/372912653.db2.gz CZATYPWCTHJFPS-HZPDHXFCSA-N 2 2 292.442 3.467 20 0 CGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000344802747 217316681 /nfs/dbraw/zinc/31/66/81/217316681.db2.gz DNBFMUVGZCZYSS-UHFFFAOYSA-N 2 2 291.439 3.178 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000296189327 373048671 /nfs/dbraw/zinc/04/86/71/373048671.db2.gz YLMVHMCITJMHMR-NFAWXSAZSA-N 2 2 296.480 3.206 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000344806898 217317694 /nfs/dbraw/zinc/31/76/94/217317694.db2.gz FUTPXTAWCOEEMB-GJZGRUSLSA-N 2 2 295.496 3.442 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708911 373067414 /nfs/dbraw/zinc/06/74/14/373067414.db2.gz MFYYOVCRKDEOGU-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708911 373067420 /nfs/dbraw/zinc/06/74/20/373067420.db2.gz MFYYOVCRKDEOGU-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP Cn1c2ccc(N[C@H]3CCn4cc[nH+]c43)cc2[nH+]c1C1CC1 ZINC000296252277 373067814 /nfs/dbraw/zinc/06/78/14/373067814.db2.gz BGAZVIGMLQTUHN-ZDUSSCGKSA-N 2 2 293.374 3.204 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000296272707 373075043 /nfs/dbraw/zinc/07/50/43/373075043.db2.gz DVTAOWWWLQYTQL-HNNXBMFYSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000173335199 373126519 /nfs/dbraw/zinc/12/65/19/373126519.db2.gz IRNQNZWBOIOPSY-AWEZNQCLSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000443009813 373141606 /nfs/dbraw/zinc/14/16/06/373141606.db2.gz LFOVWOVHWGHTAI-CVYDXHPNSA-N 2 2 290.451 3.143 20 0 CGADLP C(C[C@@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000443064845 373149371 /nfs/dbraw/zinc/14/93/71/373149371.db2.gz DESDCVYOBFEINJ-QGZVFWFLSA-N 2 2 294.483 3.049 20 0 CGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000444778291 373272630 /nfs/dbraw/zinc/27/26/30/373272630.db2.gz VWUGORHOEMLRAP-AWEZNQCLSA-N 2 2 297.324 3.475 20 0 CGADLP CC[NH+](CC)CCSCc1[nH+]cc(C)c(OC)c1C ZINC000174030275 373238114 /nfs/dbraw/zinc/23/81/14/373238114.db2.gz NQFSPXBTNVDKII-UHFFFAOYSA-N 2 2 282.453 3.282 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(F)c1 ZINC000446938805 373385338 /nfs/dbraw/zinc/38/53/38/373385338.db2.gz KBZQYOTYGAHPGW-HOTGVXAUSA-N 2 2 296.455 3.304 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446976682 373389622 /nfs/dbraw/zinc/38/96/22/373389622.db2.gz IRRBFNXGHYXCOG-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446976682 373389628 /nfs/dbraw/zinc/38/96/28/373389628.db2.gz IRRBFNXGHYXCOG-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000447983223 373534765 /nfs/dbraw/zinc/53/47/65/373534765.db2.gz PXWIJTNWUXQBDM-PILAGYSTSA-N 2 2 272.436 3.411 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000447983223 373534766 /nfs/dbraw/zinc/53/47/66/373534766.db2.gz PXWIJTNWUXQBDM-PILAGYSTSA-N 2 2 272.436 3.411 20 0 CGADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000448060014 373546195 /nfs/dbraw/zinc/54/61/95/373546195.db2.gz HNESEVOWXPMORH-CQSZACIVSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000300411259 373629741 /nfs/dbraw/zinc/62/97/41/373629741.db2.gz MEWIDTPUZJJXDT-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000300411259 373629750 /nfs/dbraw/zinc/62/97/50/373629750.db2.gz MEWIDTPUZJJXDT-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301073456 373648694 /nfs/dbraw/zinc/64/86/94/373648694.db2.gz FEEGASBKTIGQIP-ZDUSSCGKSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301073456 373648702 /nfs/dbraw/zinc/64/87/02/373648702.db2.gz FEEGASBKTIGQIP-ZDUSSCGKSA-N 2 2 276.428 3.052 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCC1 ZINC000177846896 373716868 /nfs/dbraw/zinc/71/68/68/373716868.db2.gz DXRDZMIQIPYZNL-HNNXBMFYSA-N 2 2 283.419 3.252 20 0 CGADLP Cc1cccc(OCC[N@@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000179620785 373895325 /nfs/dbraw/zinc/89/53/25/373895325.db2.gz CDUNCSKETHQOSA-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP Cc1cccc(OCC[N@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000179620785 373895330 /nfs/dbraw/zinc/89/53/30/373895330.db2.gz CDUNCSKETHQOSA-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP COc1cccc2c(N(C)CC3([NH+](C)C)CCC3)cc[nH+]c12 ZINC000302481108 373878021 /nfs/dbraw/zinc/87/80/21/373878021.db2.gz GPSCDEJBYJALJR-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP COC[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000449776284 373904559 /nfs/dbraw/zinc/90/45/59/373904559.db2.gz OJMQETBYWPHVIW-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000449776284 373904565 /nfs/dbraw/zinc/90/45/65/373904565.db2.gz OJMQETBYWPHVIW-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP c1cn(-c2ccccc2CNc2[nH]c3ccccc3[nH+]2)c[nH+]1 ZINC000302632577 373911464 /nfs/dbraw/zinc/91/14/64/373911464.db2.gz GSKVWSBOOMZPAS-UHFFFAOYSA-N 2 2 289.342 3.361 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(Cl)cc1Cl ZINC000180214598 373979013 /nfs/dbraw/zinc/97/90/13/373979013.db2.gz GXHSTZJUVQQRMH-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(Cl)cc1Cl ZINC000180214598 373979018 /nfs/dbraw/zinc/97/90/18/373979018.db2.gz GXHSTZJUVQQRMH-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000450339812 374068022 /nfs/dbraw/zinc/06/80/22/374068022.db2.gz BZMVMQRVCPHHGV-CABCVRRESA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000450339812 374068025 /nfs/dbraw/zinc/06/80/25/374068025.db2.gz BZMVMQRVCPHHGV-CABCVRRESA-N 2 2 286.410 3.372 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000289502522 197379501 /nfs/dbraw/zinc/37/95/01/197379501.db2.gz DPLRUMPAZOYSJF-SFHVURJKSA-N 2 2 283.419 3.016 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000289502522 197379503 /nfs/dbraw/zinc/37/95/03/197379503.db2.gz DPLRUMPAZOYSJF-SFHVURJKSA-N 2 2 283.419 3.016 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC1(C)C ZINC000450450907 374136650 /nfs/dbraw/zinc/13/66/50/374136650.db2.gz GEHPFJONGPMBGJ-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC1(C)C ZINC000450450907 374136657 /nfs/dbraw/zinc/13/66/57/374136657.db2.gz GEHPFJONGPMBGJ-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)CC1(C)C ZINC000450450907 374136662 /nfs/dbraw/zinc/13/66/62/374136662.db2.gz GEHPFJONGPMBGJ-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)CC1(C)C ZINC000450450907 374136668 /nfs/dbraw/zinc/13/66/68/374136668.db2.gz GEHPFJONGPMBGJ-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)(C[NH+]1CCCC1)[NH2+]CCSc1ccccc1 ZINC000308630396 374173724 /nfs/dbraw/zinc/17/37/24/374173724.db2.gz GAGKFLNQYMNAFP-UHFFFAOYSA-N 2 2 278.465 3.243 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309726621 374192899 /nfs/dbraw/zinc/19/28/99/374192899.db2.gz NTQHUZCGSRVHCP-JHNDHUHGSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309726621 374192906 /nfs/dbraw/zinc/19/29/06/374192906.db2.gz NTQHUZCGSRVHCP-JHNDHUHGSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309854547 374199821 /nfs/dbraw/zinc/19/98/21/374199821.db2.gz BQXRNFXYCKOERI-BFYDXBDKSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000309854547 374199831 /nfs/dbraw/zinc/19/98/31/374199831.db2.gz BQXRNFXYCKOERI-BFYDXBDKSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309862430 374202299 /nfs/dbraw/zinc/20/22/99/374202299.db2.gz DNBTWZJISDPWLS-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309862430 374202302 /nfs/dbraw/zinc/20/23/02/374202302.db2.gz DNBTWZJISDPWLS-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000310123927 374209143 /nfs/dbraw/zinc/20/91/43/374209143.db2.gz IRPPWYVEKJWPDW-JTQLQIEISA-N 2 2 275.223 3.281 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310706932 374221334 /nfs/dbraw/zinc/22/13/34/374221334.db2.gz ZAYGZXKXKOJNLF-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310706932 374221342 /nfs/dbraw/zinc/22/13/42/374221342.db2.gz ZAYGZXKXKOJNLF-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000311363697 374239723 /nfs/dbraw/zinc/23/97/23/374239723.db2.gz CEOWAXHBJBGBOC-UHFFFAOYSA-N 2 2 254.377 3.134 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000311363697 374239726 /nfs/dbraw/zinc/23/97/26/374239726.db2.gz CEOWAXHBJBGBOC-UHFFFAOYSA-N 2 2 254.377 3.134 20 0 CGADLP c1cn(CCC[NH+]2CCC3(CCCCC3)CC2)c[nH+]1 ZINC000182746192 374320500 /nfs/dbraw/zinc/32/05/00/374320500.db2.gz TYZMIJQOISPSFZ-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP C1CC1[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000453092324 374364288 /nfs/dbraw/zinc/36/42/88/374364288.db2.gz DJOGUWCLMUORTG-NVXWUHKLSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000453092324 374364292 /nfs/dbraw/zinc/36/42/92/374364292.db2.gz DJOGUWCLMUORTG-NVXWUHKLSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080973473 541923781 /nfs/dbraw/zinc/92/37/81/541923781.db2.gz HAMCLNJFUANNEB-INIZCTEOSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080973473 541923784 /nfs/dbraw/zinc/92/37/84/541923784.db2.gz HAMCLNJFUANNEB-INIZCTEOSA-N 2 2 299.418 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000183227521 374388992 /nfs/dbraw/zinc/38/89/92/374388992.db2.gz UNMPDAOGKALQOE-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378792 374465869 /nfs/dbraw/zinc/46/58/69/374465869.db2.gz AFERGWNPCUVSRC-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378792 374465875 /nfs/dbraw/zinc/46/58/75/374465875.db2.gz AFERGWNPCUVSRC-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415542 374474566 /nfs/dbraw/zinc/47/45/66/374474566.db2.gz ZAHSLKSUECTXSH-BBRMVZONSA-N 2 2 262.441 3.195 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415542 374474575 /nfs/dbraw/zinc/47/45/75/374474575.db2.gz ZAHSLKSUECTXSH-BBRMVZONSA-N 2 2 262.441 3.195 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728305 374555325 /nfs/dbraw/zinc/55/53/25/374555325.db2.gz SJHFVXFJAHQDPY-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184728305 374555328 /nfs/dbraw/zinc/55/53/28/374555328.db2.gz SJHFVXFJAHQDPY-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000334216620 206205804 /nfs/dbraw/zinc/20/58/04/206205804.db2.gz GFQFITZDOSKSMW-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000334216620 206205808 /nfs/dbraw/zinc/20/58/08/206205808.db2.gz GFQFITZDOSKSMW-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCCC13CCCC3)C2 ZINC000334423540 374737702 /nfs/dbraw/zinc/73/77/02/374737702.db2.gz FSDYPUIJLANZBR-BBRMVZONSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCCC13CCCC3)CC2 ZINC000334423540 374737707 /nfs/dbraw/zinc/73/77/07/374737707.db2.gz FSDYPUIJLANZBR-BBRMVZONSA-N 2 2 273.424 3.360 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@]3(CCSC3)C2)[nH+]1 ZINC000334623244 374915657 /nfs/dbraw/zinc/91/56/57/374915657.db2.gz RRRUZDUQNDWWHY-MRXNPFEDSA-N 2 2 287.432 3.053 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@]3(CCSC3)C2)[nH+]1 ZINC000334623244 374915662 /nfs/dbraw/zinc/91/56/62/374915662.db2.gz RRRUZDUQNDWWHY-MRXNPFEDSA-N 2 2 287.432 3.053 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245329 296224619 /nfs/dbraw/zinc/22/46/19/296224619.db2.gz ZMFNYWNWXAVTTP-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245329 296224622 /nfs/dbraw/zinc/22/46/22/296224622.db2.gz ZMFNYWNWXAVTTP-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000187307890 375001428 /nfs/dbraw/zinc/00/14/28/375001428.db2.gz TURUVVUNCPGWQM-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000187307890 375001431 /nfs/dbraw/zinc/00/14/31/375001431.db2.gz TURUVVUNCPGWQM-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000187307890 375001437 /nfs/dbraw/zinc/00/14/37/375001437.db2.gz TURUVVUNCPGWQM-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000187307890 375001443 /nfs/dbraw/zinc/00/14/43/375001443.db2.gz TURUVVUNCPGWQM-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000187449392 375024368 /nfs/dbraw/zinc/02/43/68/375024368.db2.gz UIPIZMWCMASLJY-UHFFFAOYSA-N 2 2 299.418 3.311 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCSC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487556202 375252821 /nfs/dbraw/zinc/25/28/21/375252821.db2.gz HVHAEORGJQBNHW-SQWLQELKSA-N 2 2 278.465 3.021 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000188279546 375190362 /nfs/dbraw/zinc/19/03/62/375190362.db2.gz IYOWYYRRVOTOBR-TYNCELHUSA-N 2 2 296.842 3.167 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000188279546 375190367 /nfs/dbraw/zinc/19/03/67/375190367.db2.gz IYOWYYRRVOTOBR-TYNCELHUSA-N 2 2 296.842 3.167 20 0 CGADLP Clc1oc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335413152 375272686 /nfs/dbraw/zinc/27/26/86/375272686.db2.gz MNKVWWRXIAHLTM-UHFFFAOYSA-N 2 2 290.794 3.414 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335660815 375338971 /nfs/dbraw/zinc/33/89/71/375338971.db2.gz LRTRXEJZJQVQGL-HIFRSBDPSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335660815 375338976 /nfs/dbraw/zinc/33/89/76/375338976.db2.gz LRTRXEJZJQVQGL-HIFRSBDPSA-N 2 2 269.392 3.235 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336005416 375611929 /nfs/dbraw/zinc/61/19/29/375611929.db2.gz ZOPIGTUYMQHRJK-NSHDSACASA-N 2 2 296.201 3.364 20 0 CGADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000191935181 375680440 /nfs/dbraw/zinc/68/04/40/375680440.db2.gz RYXBMVKZWDEVCQ-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000191935181 375680449 /nfs/dbraw/zinc/68/04/49/375680449.db2.gz RYXBMVKZWDEVCQ-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000192067920 375695109 /nfs/dbraw/zinc/69/51/09/375695109.db2.gz NBEAZOIDBOXDBE-CALCHBBNSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000192067920 375695116 /nfs/dbraw/zinc/69/51/16/375695116.db2.gz NBEAZOIDBOXDBE-CALCHBBNSA-N 2 2 281.403 3.413 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(O)c1 ZINC000192709464 375780219 /nfs/dbraw/zinc/78/02/19/375780219.db2.gz ACTSDKUHCIVCHE-CQSZACIVSA-N 2 2 297.402 3.107 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192742668 375784866 /nfs/dbraw/zinc/78/48/66/375784866.db2.gz TWWCOGXREHBNKL-CPUCHLNUSA-N 2 2 260.425 3.456 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCC13CCCCC3)C2 ZINC000336228308 375761133 /nfs/dbraw/zinc/76/11/33/375761133.db2.gz ZEOVANPMNOPELY-BBRMVZONSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CCCCC3)CC2 ZINC000336228308 375761142 /nfs/dbraw/zinc/76/11/42/375761142.db2.gz ZEOVANPMNOPELY-BBRMVZONSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC13CCCCC3)C2 ZINC000336228309 375761635 /nfs/dbraw/zinc/76/16/35/375761635.db2.gz ZEOVANPMNOPELY-CJNGLKHVSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CCCCC3)CC2 ZINC000336228309 375761640 /nfs/dbraw/zinc/76/16/40/375761640.db2.gz ZEOVANPMNOPELY-CJNGLKHVSA-N 2 2 273.424 3.360 20 0 CGADLP Cc1[nH+]c2cc(N[C@H](c3[nH+]ccn3C)C3CC3)ccc2n1C ZINC000129099825 542054483 /nfs/dbraw/zinc/05/44/83/542054483.db2.gz PENMYVKLJTWTHN-INIZCTEOSA-N 2 2 295.390 3.178 20 0 CGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCCCC4)[nH+]c3c2)CC1 ZINC000336600107 375864604 /nfs/dbraw/zinc/86/46/04/375864604.db2.gz DFVRAVCDLMAGPM-UHFFFAOYSA-N 2 2 298.390 3.040 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000130997198 542067012 /nfs/dbraw/zinc/06/70/12/542067012.db2.gz VCJLTSQVCCCCMQ-AWEZNQCLSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000130997429 542067478 /nfs/dbraw/zinc/06/74/78/542067478.db2.gz VCJLTSQVCCCCMQ-CQSZACIVSA-N 2 2 275.440 3.243 20 0 CGADLP c1ccc2[nH+]c(Nc3ccc(N4CCCCC4)[nH+]c3)[nH]c2c1 ZINC000534244809 375965196 /nfs/dbraw/zinc/96/51/96/375965196.db2.gz PGAOXXYQSBFOAI-UHFFFAOYSA-N 2 2 293.374 3.114 20 0 CGADLP CCO[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000194463460 376005763 /nfs/dbraw/zinc/00/57/63/376005763.db2.gz HSVUVRRRKFSRKZ-KRWDZBQOSA-N 2 2 295.386 3.202 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891760 376021212 /nfs/dbraw/zinc/02/12/12/376021212.db2.gz IWBCWMOFNHGMIF-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891760 376021220 /nfs/dbraw/zinc/02/12/20/376021220.db2.gz IWBCWMOFNHGMIF-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000337326016 376211983 /nfs/dbraw/zinc/21/19/83/376211983.db2.gz CFOZKAKQPKBEOE-SJLPKXTDSA-N 2 2 290.451 3.227 20 0 CGADLP C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000538089046 376221335 /nfs/dbraw/zinc/22/13/35/376221335.db2.gz VCUMAXMWNXKZFA-GFCCVEGCSA-N 2 2 273.355 3.128 20 0 CGADLP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000538089046 376221340 /nfs/dbraw/zinc/22/13/40/376221340.db2.gz VCUMAXMWNXKZFA-GFCCVEGCSA-N 2 2 273.355 3.128 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000538117090 376221550 /nfs/dbraw/zinc/22/15/50/376221550.db2.gz PXDGOBXXWFYSKQ-MAUKXSAKSA-N 2 2 272.436 3.378 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000538117090 376221555 /nfs/dbraw/zinc/22/15/55/376221555.db2.gz PXDGOBXXWFYSKQ-MAUKXSAKSA-N 2 2 272.436 3.378 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[N@@H+]1C ZINC000221837235 376221867 /nfs/dbraw/zinc/22/18/67/376221867.db2.gz LFHJOBUJWXDEGZ-UWWQBHOKSA-N 2 2 284.403 3.441 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[N@H+]1C ZINC000221837235 376221876 /nfs/dbraw/zinc/22/18/76/376221876.db2.gz LFHJOBUJWXDEGZ-UWWQBHOKSA-N 2 2 284.403 3.441 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000338236162 376293743 /nfs/dbraw/zinc/29/37/43/376293743.db2.gz HTHFJNHDSYKHAR-LSDHHAIUSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000338236162 376293751 /nfs/dbraw/zinc/29/37/51/376293751.db2.gz HTHFJNHDSYKHAR-LSDHHAIUSA-N 2 2 286.410 3.372 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H](C)C2 ZINC000540911843 376404678 /nfs/dbraw/zinc/40/46/78/376404678.db2.gz PLZNLVNFIXPKSH-IIDMSEBBSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H](C)C2 ZINC000540911843 376404687 /nfs/dbraw/zinc/40/46/87/376404687.db2.gz PLZNLVNFIXPKSH-IIDMSEBBSA-N 2 2 272.436 3.160 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000227082248 376380943 /nfs/dbraw/zinc/38/09/43/376380943.db2.gz MHHNQCHDFRIAGW-KURKYZTESA-N 2 2 290.451 3.083 20 0 CGADLP Cc1cc(NCC2(C)CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000227307321 376388313 /nfs/dbraw/zinc/38/83/13/376388313.db2.gz BTRPAYAHYTYKGW-UHFFFAOYSA-N 2 2 276.428 3.052 20 0 CGADLP FC(F)C[NH+]1CCC(Nc2cccc3cc[nH+]cc32)CC1 ZINC000542137021 376509614 /nfs/dbraw/zinc/50/96/14/376509614.db2.gz ZLPWPZIXWBWOML-UHFFFAOYSA-N 2 2 291.345 3.376 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000542138230 376511672 /nfs/dbraw/zinc/51/16/72/376511672.db2.gz YZUFQRATELUAOA-HUUCEWRRSA-N 2 2 292.492 3.271 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000542138230 376511683 /nfs/dbraw/zinc/51/16/83/376511683.db2.gz YZUFQRATELUAOA-HUUCEWRRSA-N 2 2 292.492 3.271 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC000230969217 376548877 /nfs/dbraw/zinc/54/88/77/376548877.db2.gz KLJNWWBHIOKQBZ-NSHDSACASA-N 2 2 254.805 3.379 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000235664791 376645566 /nfs/dbraw/zinc/64/55/66/376645566.db2.gz UBCZTEMPTNBBLV-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP CCc1nocc1C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000339164961 376718760 /nfs/dbraw/zinc/71/87/60/376718760.db2.gz NEYQIESXQNBAGQ-UHFFFAOYSA-N 2 2 298.390 3.075 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000339576759 376763431 /nfs/dbraw/zinc/76/34/31/376763431.db2.gz MXIDXDRNIYTBRK-HZSPNIEDSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000339576759 376763436 /nfs/dbraw/zinc/76/34/36/376763436.db2.gz MXIDXDRNIYTBRK-HZSPNIEDSA-N 2 2 250.430 3.028 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000154733461 542119825 /nfs/dbraw/zinc/11/98/25/542119825.db2.gz SMILMACFQFFLMP-INIZCTEOSA-N 2 2 280.362 3.026 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245556649 376853365 /nfs/dbraw/zinc/85/33/65/376853365.db2.gz UOTRNMILNDBFAC-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245556649 376853372 /nfs/dbraw/zinc/85/33/72/376853372.db2.gz UOTRNMILNDBFAC-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245556649 376853380 /nfs/dbraw/zinc/85/33/80/376853380.db2.gz UOTRNMILNDBFAC-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245556649 376853388 /nfs/dbraw/zinc/85/33/88/376853388.db2.gz UOTRNMILNDBFAC-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000556873164 376895469 /nfs/dbraw/zinc/89/54/69/376895469.db2.gz VIVAYMIZSJCUTK-IRXDYDNUSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000556873164 376895478 /nfs/dbraw/zinc/89/54/78/376895478.db2.gz VIVAYMIZSJCUTK-IRXDYDNUSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257741 376925865 /nfs/dbraw/zinc/92/58/65/376925865.db2.gz OOZPDARBBONNJY-RLCCDNCMSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257741 376925869 /nfs/dbraw/zinc/92/58/69/376925869.db2.gz OOZPDARBBONNJY-RLCCDNCMSA-N 2 2 278.827 3.331 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC000557273289 376928835 /nfs/dbraw/zinc/92/88/35/376928835.db2.gz JJHYCUQTPJTLAH-BZUAXINKSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC000557273289 376928839 /nfs/dbraw/zinc/92/88/39/376928839.db2.gz JJHYCUQTPJTLAH-BZUAXINKSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000245931984 376938495 /nfs/dbraw/zinc/93/84/95/376938495.db2.gz PNWNURRQAJKFFN-BZUAXINKSA-N 2 2 275.440 3.100 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccncc1F ZINC000340226841 376953760 /nfs/dbraw/zinc/95/37/60/376953760.db2.gz CGWRQXFPALOWQJ-CQSZACIVSA-N 2 2 281.419 3.383 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000246388000 377020809 /nfs/dbraw/zinc/02/08/09/377020809.db2.gz KPHMGBBAEWTNIO-MAUKXSAKSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000246388000 377020816 /nfs/dbraw/zinc/02/08/16/377020816.db2.gz KPHMGBBAEWTNIO-MAUKXSAKSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C2CC2)c1 ZINC000340385746 377028069 /nfs/dbraw/zinc/02/80/69/377028069.db2.gz ANKHYTFNALJRNK-WBMJQRKESA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340385746 377028076 /nfs/dbraw/zinc/02/80/76/377028076.db2.gz ANKHYTFNALJRNK-WBMJQRKESA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340391646 377033701 /nfs/dbraw/zinc/03/37/01/377033701.db2.gz IACYKYBJVVBXRI-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340391646 377033704 /nfs/dbraw/zinc/03/37/04/377033704.db2.gz IACYKYBJVVBXRI-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260707 377000497 /nfs/dbraw/zinc/00/04/97/377000497.db2.gz YKQKNJJOPWVSRX-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260707 377000506 /nfs/dbraw/zinc/00/05/06/377000506.db2.gz YKQKNJJOPWVSRX-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccncc1F)[NH+]1CCCCC1 ZINC000340518389 377115381 /nfs/dbraw/zinc/11/53/81/377115381.db2.gz SJUFKMKFQSRRMJ-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC13CCC3)CCCC2 ZINC000560146024 377122853 /nfs/dbraw/zinc/12/28/53/377122853.db2.gz KJGZVDUBOFWIBL-CQSZACIVSA-N 2 2 259.397 3.032 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)no1 ZINC000340470615 377080225 /nfs/dbraw/zinc/08/02/25/377080225.db2.gz PDWZITFSZCSLPQ-AWEZNQCLSA-N 2 2 279.428 3.288 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)no1 ZINC000340470615 377080232 /nfs/dbraw/zinc/08/02/32/377080232.db2.gz PDWZITFSZCSLPQ-AWEZNQCLSA-N 2 2 279.428 3.288 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247316765 377192741 /nfs/dbraw/zinc/19/27/41/377192741.db2.gz FXNNNROJDZMXNN-AEFFLSMTSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247316765 377192749 /nfs/dbraw/zinc/19/27/49/377192749.db2.gz FXNNNROJDZMXNN-AEFFLSMTSA-N 2 2 283.419 3.317 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000247593165 377228174 /nfs/dbraw/zinc/22/81/74/377228174.db2.gz MQGXFODGFIWMCI-SWLSCSKDSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@H]1n1cc[nH+]c1 ZINC000247593165 377228178 /nfs/dbraw/zinc/22/81/78/377228178.db2.gz MQGXFODGFIWMCI-SWLSCSKDSA-N 2 2 291.345 3.244 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000561778722 377245764 /nfs/dbraw/zinc/24/57/64/377245764.db2.gz VWICPIRFBHNOAC-SOUVJXGZSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000248036638 377261389 /nfs/dbraw/zinc/26/13/89/377261389.db2.gz RRXGNWJBOLFASS-TXPKVOOTSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000248036638 377261391 /nfs/dbraw/zinc/26/13/91/377261391.db2.gz RRXGNWJBOLFASS-TXPKVOOTSA-N 2 2 295.430 3.253 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248034801 377261698 /nfs/dbraw/zinc/26/16/98/377261698.db2.gz RJIQQMJBMQAHQI-ZWKOTPCHSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248034801 377261704 /nfs/dbraw/zinc/26/17/04/377261704.db2.gz RJIQQMJBMQAHQI-ZWKOTPCHSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000247378926 377199355 /nfs/dbraw/zinc/19/93/55/377199355.db2.gz HYYZBHGXWODOMT-RISCZKNCSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000247378926 377199363 /nfs/dbraw/zinc/19/93/63/377199363.db2.gz HYYZBHGXWODOMT-RISCZKNCSA-N 2 2 290.436 3.040 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000560942802 377199932 /nfs/dbraw/zinc/19/99/32/377199932.db2.gz JHDKUHNLAYFWDI-HNNXBMFYSA-N 2 2 290.794 3.427 20 0 CGADLP CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000561083140 377206688 /nfs/dbraw/zinc/20/66/88/377206688.db2.gz UFWJWKVJKKVYIL-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000561083140 377206698 /nfs/dbraw/zinc/20/66/98/377206698.db2.gz UFWJWKVJKKVYIL-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498784 377330998 /nfs/dbraw/zinc/33/09/98/377330998.db2.gz RUHQNZBTXSVKOY-UONOGXRCSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498784 377331005 /nfs/dbraw/zinc/33/10/05/377331005.db2.gz RUHQNZBTXSVKOY-UONOGXRCSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498784 377331009 /nfs/dbraw/zinc/33/10/09/377331009.db2.gz RUHQNZBTXSVKOY-UONOGXRCSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498784 377331016 /nfs/dbraw/zinc/33/10/16/377331016.db2.gz RUHQNZBTXSVKOY-UONOGXRCSA-N 2 2 295.496 3.429 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248168107 377274803 /nfs/dbraw/zinc/27/48/03/377274803.db2.gz UEQVBIODYATMGX-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248168107 377274807 /nfs/dbraw/zinc/27/48/07/377274807.db2.gz UEQVBIODYATMGX-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000248168107 377274810 /nfs/dbraw/zinc/27/48/10/377274810.db2.gz UEQVBIODYATMGX-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248168107 377274816 /nfs/dbraw/zinc/27/48/16/377274816.db2.gz UEQVBIODYATMGX-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248884430 377420642 /nfs/dbraw/zinc/42/06/42/377420642.db2.gz UEXYGJGEEFUHRD-OSFYFWSMSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248884430 377420650 /nfs/dbraw/zinc/42/06/50/377420650.db2.gz UEXYGJGEEFUHRD-OSFYFWSMSA-N 2 2 250.430 3.026 20 0 CGADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000249049259 377450560 /nfs/dbraw/zinc/45/05/60/377450560.db2.gz NZQJVSGHEUBHAO-UKPHBRMFSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000248830196 377408334 /nfs/dbraw/zinc/40/83/34/377408334.db2.gz HDPVWWCDRFKQFK-GLJUWKHASA-N 2 2 285.435 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000248830196 377408342 /nfs/dbraw/zinc/40/83/42/377408342.db2.gz HDPVWWCDRFKQFK-GLJUWKHASA-N 2 2 285.435 3.148 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2cccc(Cl)c2Cl)n1C ZINC000563441438 377466521 /nfs/dbraw/zinc/46/65/21/377466521.db2.gz XDEHEYVMHJVTIJ-UHFFFAOYSA-N 2 2 298.217 3.368 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1c(F)cccc1F ZINC000341282238 377487997 /nfs/dbraw/zinc/48/79/97/377487997.db2.gz ICFLJVANNJFHLG-CHWSQXEVSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1c(F)cccc1F ZINC000341282238 377488009 /nfs/dbraw/zinc/48/80/09/377488009.db2.gz ICFLJVANNJFHLG-CHWSQXEVSA-N 2 2 282.378 3.490 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)c1 ZINC000313251298 249089558 /nfs/dbraw/zinc/08/95/58/249089558.db2.gz LHAKHDOTJYDSNM-UHFFFAOYSA-N 2 2 289.810 3.152 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)s1 ZINC000313253608 249089743 /nfs/dbraw/zinc/08/97/43/249089743.db2.gz NXWZCRXAXWIFRN-VIFPVBQESA-N 2 2 269.801 3.028 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422908408 249127134 /nfs/dbraw/zinc/12/71/34/249127134.db2.gz YLELHQKIOVGURA-SMDDNHRTSA-N 2 2 276.355 3.110 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCO1 ZINC000314876868 249096973 /nfs/dbraw/zinc/09/69/73/249096973.db2.gz GNHGPLYDNLHGMF-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP Cc1c[nH+]c(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1C ZINC000341396125 377547673 /nfs/dbraw/zinc/54/76/73/377547673.db2.gz OWJPSTZHARJPKX-UHFFFAOYSA-N 2 2 295.390 3.105 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000469983639 249164862 /nfs/dbraw/zinc/16/48/62/249164862.db2.gz QMKUDNSHPAGNHP-UHFFFAOYSA-N 2 2 282.378 3.447 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000469983639 249164864 /nfs/dbraw/zinc/16/48/64/249164864.db2.gz QMKUDNSHPAGNHP-UHFFFAOYSA-N 2 2 282.378 3.447 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000573693273 377562601 /nfs/dbraw/zinc/56/26/01/377562601.db2.gz SZEFLMMMZSHZNU-WQVCFCJDSA-N 2 2 273.355 3.414 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000515586690 249216184 /nfs/dbraw/zinc/21/61/84/249216184.db2.gz ODYWECHYTQJTCW-WBVHZDCISA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000515586690 249216187 /nfs/dbraw/zinc/21/61/87/249216187.db2.gz ODYWECHYTQJTCW-WBVHZDCISA-N 2 2 281.403 3.287 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265448225 190182712 /nfs/dbraw/zinc/18/27/12/190182712.db2.gz BMLOLDLFHYXEKX-GFCCVEGCSA-N 2 2 273.355 3.489 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000251749375 377597825 /nfs/dbraw/zinc/59/78/25/377597825.db2.gz QSBMXRCJUVAGPR-MNOVXSKESA-N 2 2 270.779 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000251749375 377597835 /nfs/dbraw/zinc/59/78/35/377597835.db2.gz QSBMXRCJUVAGPR-MNOVXSKESA-N 2 2 270.779 3.081 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000251788106 377598372 /nfs/dbraw/zinc/59/83/72/377598372.db2.gz NHFZEEBBHDIIDE-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000251788106 377598377 /nfs/dbraw/zinc/59/83/77/377598377.db2.gz NHFZEEBBHDIIDE-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760820 377616888 /nfs/dbraw/zinc/61/68/88/377616888.db2.gz MNWIEIPKYSOLJQ-HIFRSBDPSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760820 377616897 /nfs/dbraw/zinc/61/68/97/377616897.db2.gz MNWIEIPKYSOLJQ-HIFRSBDPSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644496 377689705 /nfs/dbraw/zinc/68/97/05/377689705.db2.gz BKLNFBWHJMJZOO-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644496 377689710 /nfs/dbraw/zinc/68/97/10/377689710.db2.gz BKLNFBWHJMJZOO-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644496 377689719 /nfs/dbraw/zinc/68/97/19/377689719.db2.gz BKLNFBWHJMJZOO-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)[C@H]2C1 ZINC000574644496 377689729 /nfs/dbraw/zinc/68/97/29/377689729.db2.gz BKLNFBWHJMJZOO-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721977 377699639 /nfs/dbraw/zinc/69/96/39/377699639.db2.gz KPDXVWIHGXLLFV-KDOFPFPSSA-N 2 2 297.446 3.477 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000574721977 377699645 /nfs/dbraw/zinc/69/96/45/377699645.db2.gz KPDXVWIHGXLLFV-KDOFPFPSSA-N 2 2 297.446 3.477 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)cc2)CC[N@@H+]1C ZINC000255335055 377750779 /nfs/dbraw/zinc/75/07/79/377750779.db2.gz IQUABCUQOYRSTH-AYUWKEHRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)cc2)CC[N@H+]1C ZINC000255335055 377750788 /nfs/dbraw/zinc/75/07/88/377750788.db2.gz IQUABCUQOYRSTH-AYUWKEHRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(F)cc2)CC[NH+]1C ZINC000255335055 377750796 /nfs/dbraw/zinc/75/07/96/377750796.db2.gz IQUABCUQOYRSTH-AYUWKEHRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)CC[NH+]1C ZINC000255335055 377750799 /nfs/dbraw/zinc/75/07/99/377750799.db2.gz IQUABCUQOYRSTH-AYUWKEHRSA-N 2 2 276.399 3.253 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000261584128 377824336 /nfs/dbraw/zinc/82/43/36/377824336.db2.gz SCSBVOKDQZDMPL-MISXGVKJSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000261584128 377824343 /nfs/dbraw/zinc/82/43/43/377824343.db2.gz SCSBVOKDQZDMPL-MISXGVKJSA-N 2 2 285.218 3.163 20 0 CGADLP CC[N@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261925498 377868770 /nfs/dbraw/zinc/86/87/70/377868770.db2.gz KYOMLJKPGKTEIG-CYBMUJFWSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261925498 377868779 /nfs/dbraw/zinc/86/87/79/377868779.db2.gz KYOMLJKPGKTEIG-CYBMUJFWSA-N 2 2 295.496 3.405 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(Cl)c1Cl ZINC000261947673 377871062 /nfs/dbraw/zinc/87/10/62/377871062.db2.gz NMBYEVIWGMZYGU-JGVFFNPUSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(Cl)c1Cl ZINC000261947673 377871069 /nfs/dbraw/zinc/87/10/69/377871069.db2.gz NMBYEVIWGMZYGU-JGVFFNPUSA-N 2 2 279.236 3.224 20 0 CGADLP C[N@H+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261966957 377874289 /nfs/dbraw/zinc/87/42/89/377874289.db2.gz PZNYMXGOGOXOME-FOSCPWQOSA-N 2 2 270.829 3.116 20 0 CGADLP C[N@@H+](Cc1ccsc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261966957 377874293 /nfs/dbraw/zinc/87/42/93/377874293.db2.gz PZNYMXGOGOXOME-FOSCPWQOSA-N 2 2 270.829 3.116 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000261999552 377878819 /nfs/dbraw/zinc/87/88/19/377878819.db2.gz UABZXXXGUSXRHS-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000261999552 377878822 /nfs/dbraw/zinc/87/88/22/377878822.db2.gz UABZXXXGUSXRHS-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107580 377887021 /nfs/dbraw/zinc/88/70/21/377887021.db2.gz WDBWVKHIBBFNDD-KSSFIOAISA-N 2 2 288.435 3.177 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107580 377887028 /nfs/dbraw/zinc/88/70/28/377887028.db2.gz WDBWVKHIBBFNDD-KSSFIOAISA-N 2 2 288.435 3.177 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1F ZINC000261781651 377854005 /nfs/dbraw/zinc/85/40/05/377854005.db2.gz UAAZATQDQNHYPG-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1F ZINC000261781651 377854007 /nfs/dbraw/zinc/85/40/07/377854007.db2.gz UAAZATQDQNHYPG-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261787963 377855401 /nfs/dbraw/zinc/85/54/01/377855401.db2.gz USVVTEGJLYJMLU-WWAPKCSDSA-N 2 2 296.389 3.266 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261787963 377855407 /nfs/dbraw/zinc/85/54/07/377855407.db2.gz USVVTEGJLYJMLU-WWAPKCSDSA-N 2 2 296.389 3.266 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1)C2 ZINC000576037535 378008972 /nfs/dbraw/zinc/00/89/72/378008972.db2.gz KVEKLVGMAOUNIW-FQEVSTJZSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1)C2 ZINC000576037535 378008979 /nfs/dbraw/zinc/00/89/79/378008979.db2.gz KVEKLVGMAOUNIW-FQEVSTJZSA-N 2 2 298.474 3.352 20 0 CGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000343497682 377996232 /nfs/dbraw/zinc/99/62/32/377996232.db2.gz SHMXRHMVLISJNG-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000343661371 378058655 /nfs/dbraw/zinc/05/86/55/378058655.db2.gz PXKKXUHHNZTBGU-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000578443010 378070019 /nfs/dbraw/zinc/07/00/19/378070019.db2.gz SAJQYLPOTSYORQ-CYBMUJFWSA-N 2 2 276.767 3.133 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000578443010 378070022 /nfs/dbraw/zinc/07/00/22/378070022.db2.gz SAJQYLPOTSYORQ-CYBMUJFWSA-N 2 2 276.767 3.133 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268791125 378112639 /nfs/dbraw/zinc/11/26/39/378112639.db2.gz DGNNUFWOCSNRGE-BXUZGUMPSA-N 2 2 291.395 3.237 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268819616 378121152 /nfs/dbraw/zinc/12/11/52/378121152.db2.gz NQRYONDTGNSRDH-NWDGAFQWSA-N 2 2 293.798 3.284 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344028826 378155238 /nfs/dbraw/zinc/15/52/38/378155238.db2.gz AZFGSSKJTVVECX-VVLHAWIVSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000344028826 378155244 /nfs/dbraw/zinc/15/52/44/378155244.db2.gz AZFGSSKJTVVECX-VVLHAWIVSA-N 2 2 294.483 3.187 20 0 CGADLP c1sc(C2CC2)nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343776501 378088457 /nfs/dbraw/zinc/08/84/57/378088457.db2.gz YVQWBJPTBSBQNN-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)[nH]1 ZINC000268717111 378095015 /nfs/dbraw/zinc/09/50/15/378095015.db2.gz ZAZSJHSEOWBVEZ-AWEZNQCLSA-N 2 2 299.422 3.101 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccn(C4CCCC4)n3)C2)[nH]1 ZINC000268717111 378095026 /nfs/dbraw/zinc/09/50/26/378095026.db2.gz ZAZSJHSEOWBVEZ-AWEZNQCLSA-N 2 2 299.422 3.101 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000268718890 378095985 /nfs/dbraw/zinc/09/59/85/378095985.db2.gz HMWGGSIQJIKJBN-AEFFLSMTSA-N 2 2 292.467 3.474 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000343813982 378101526 /nfs/dbraw/zinc/10/15/26/378101526.db2.gz RHPCWQKRVAYXCP-SJORKVTESA-N 2 2 285.435 3.378 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268999213 378170063 /nfs/dbraw/zinc/17/00/63/378170063.db2.gz IWGLKZLUXSFZEG-OBJOEFQTSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268999213 378170065 /nfs/dbraw/zinc/17/00/65/378170065.db2.gz IWGLKZLUXSFZEG-OBJOEFQTSA-N 2 2 264.438 3.190 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000345334094 378259729 /nfs/dbraw/zinc/25/97/29/378259729.db2.gz WNZYBKYRPLXXPD-NEPJUHHUSA-N 2 2 269.458 3.257 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cc3ccccc3s2)n1C ZINC000582371252 378307590 /nfs/dbraw/zinc/30/75/90/378307590.db2.gz RSQQVWDRRUKVCL-UHFFFAOYSA-N 2 2 271.389 3.233 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CC2)Cc1ccccc1 ZINC000583511336 378328567 /nfs/dbraw/zinc/32/85/67/378328567.db2.gz ZHBVYKSDXWLICL-IRXDYDNUSA-N 2 2 272.436 3.082 20 0 CGADLP CC(C)(C)c1ccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000583784024 378345426 /nfs/dbraw/zinc/34/54/26/378345426.db2.gz JKAHIBOTYXNEEW-FUHWJXTLSA-N 2 2 286.463 3.210 20 0 CGADLP CC(C)(C)c1ccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000583784024 378345434 /nfs/dbraw/zinc/34/54/34/378345434.db2.gz JKAHIBOTYXNEEW-FUHWJXTLSA-N 2 2 286.463 3.210 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000584534658 378392714 /nfs/dbraw/zinc/39/27/14/378392714.db2.gz ZJDBYYCTYSAEEN-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000584534658 378392718 /nfs/dbraw/zinc/39/27/18/378392718.db2.gz ZJDBYYCTYSAEEN-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1C ZINC000584540890 378393344 /nfs/dbraw/zinc/39/33/44/378393344.db2.gz ONPOYXPONFOFCU-FUHWJXTLSA-N 2 2 283.419 3.230 20 0 CGADLP c1ccc2[nH+]c(N3CCCC[C@H]([NH+]4CCCC4)C3)[nH]c2c1 ZINC000270577468 378371404 /nfs/dbraw/zinc/37/14/04/378371404.db2.gz OZOXASGVFIDEME-AWEZNQCLSA-N 2 2 284.407 3.018 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cscn1 ZINC000271067822 378444892 /nfs/dbraw/zinc/44/48/92/378444892.db2.gz DISWGKGZARBNNL-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP CC[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131363 378473083 /nfs/dbraw/zinc/47/30/83/378473083.db2.gz JPHRIIXVBDSWOX-LBPRGKRZSA-N 2 2 261.394 3.308 20 0 CGADLP CC[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131363 378473089 /nfs/dbraw/zinc/47/30/89/378473089.db2.gz JPHRIIXVBDSWOX-LBPRGKRZSA-N 2 2 261.394 3.308 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346091655 378462439 /nfs/dbraw/zinc/46/24/39/378462439.db2.gz MIZFARPLFJWNLN-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346091655 378462444 /nfs/dbraw/zinc/46/24/44/378462444.db2.gz MIZFARPLFJWNLN-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1Cc2ccccc2C1 ZINC000346133997 378476275 /nfs/dbraw/zinc/47/62/75/378476275.db2.gz CYSGZAWGIILSEC-UHFFFAOYSA-N 2 2 290.370 3.092 20 0 CGADLP C[C@H]1SCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000346199792 378502638 /nfs/dbraw/zinc/50/26/38/378502638.db2.gz GUYXUISDZNZBPN-VXGBXAGGSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@H]1SCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000346199792 378502641 /nfs/dbraw/zinc/50/26/41/378502641.db2.gz GUYXUISDZNZBPN-VXGBXAGGSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@@H+]1C ZINC000346345636 378552505 /nfs/dbraw/zinc/55/25/05/378552505.db2.gz WYMUQWCKSMQNAY-LYAPFXNSSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@H+]1C ZINC000346345636 378552509 /nfs/dbraw/zinc/55/25/09/378552509.db2.gz WYMUQWCKSMQNAY-LYAPFXNSSA-N 2 2 258.409 3.005 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC=CCC1 ZINC000346347701 378552639 /nfs/dbraw/zinc/55/26/39/378552639.db2.gz YLNAFYRKWGUMHO-CQSZACIVSA-N 2 2 255.365 3.122 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC=CCC1 ZINC000346347701 378552644 /nfs/dbraw/zinc/55/26/44/378552644.db2.gz YLNAFYRKWGUMHO-CQSZACIVSA-N 2 2 255.365 3.122 20 0 CGADLP COC(C)(C)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000346414706 378573226 /nfs/dbraw/zinc/57/32/26/378573226.db2.gz QGIAXGPBSZRKKS-UHFFFAOYSA-N 2 2 292.467 3.302 20 0 CGADLP COC(C)(C)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346414706 378573235 /nfs/dbraw/zinc/57/32/35/378573235.db2.gz QGIAXGPBSZRKKS-UHFFFAOYSA-N 2 2 292.467 3.302 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000346570861 378626414 /nfs/dbraw/zinc/62/64/14/378626414.db2.gz QACRLKSHDOPFSR-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000346570861 378626418 /nfs/dbraw/zinc/62/64/18/378626418.db2.gz QACRLKSHDOPFSR-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346572585 378628665 /nfs/dbraw/zinc/62/86/65/378628665.db2.gz AUWBHDWPKVHTDP-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346572585 378628668 /nfs/dbraw/zinc/62/86/68/378628668.db2.gz AUWBHDWPKVHTDP-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346641024 378657995 /nfs/dbraw/zinc/65/79/95/378657995.db2.gz KWXSSKVJUDRVPK-ZDUSSCGKSA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346641024 378658000 /nfs/dbraw/zinc/65/80/00/378658000.db2.gz KWXSSKVJUDRVPK-ZDUSSCGKSA-N 2 2 276.380 3.087 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)CCC2 ZINC000346800604 378688964 /nfs/dbraw/zinc/68/89/64/378688964.db2.gz RYXMPXLDRVIEEK-DOPJRALCSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)CCC2 ZINC000346800604 378688970 /nfs/dbraw/zinc/68/89/70/378688970.db2.gz RYXMPXLDRVIEEK-DOPJRALCSA-N 2 2 288.435 3.145 20 0 CGADLP CO[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950680 378643056 /nfs/dbraw/zinc/64/30/56/378643056.db2.gz FEAVFYBAJIEYCU-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950680 378643059 /nfs/dbraw/zinc/64/30/59/378643059.db2.gz FEAVFYBAJIEYCU-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000347945348 378736417 /nfs/dbraw/zinc/73/64/17/378736417.db2.gz QZVYNOLOGTVHRU-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(SC)CC2)C1 ZINC000347996899 378749095 /nfs/dbraw/zinc/74/90/95/378749095.db2.gz BVHBXVOBIPEPKZ-CQSZACIVSA-N 2 2 284.513 3.372 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(SC)CC2)C1 ZINC000347996899 378749097 /nfs/dbraw/zinc/74/90/97/378749097.db2.gz BVHBXVOBIPEPKZ-CQSZACIVSA-N 2 2 284.513 3.372 20 0 CGADLP CCC[C@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)OC ZINC000638287532 378755371 /nfs/dbraw/zinc/75/53/71/378755371.db2.gz VAEPNNULNFBCMH-CABCVRRESA-N 2 2 296.480 3.290 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173661 378722495 /nfs/dbraw/zinc/72/24/95/378722495.db2.gz ZWGJOSURVGUZGQ-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173661 378722498 /nfs/dbraw/zinc/72/24/98/378722498.db2.gz ZWGJOSURVGUZGQ-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000348091958 378787240 /nfs/dbraw/zinc/78/72/40/378787240.db2.gz ZKUWLXBLGXFTKZ-UKRRQHHQSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc(F)ccc1F ZINC000348093538 378788953 /nfs/dbraw/zinc/78/89/53/378788953.db2.gz BBAATGHXKIJSMS-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CC[C@H]2CCCC[N@H+]2C)s1 ZINC000348094474 378789099 /nfs/dbraw/zinc/78/90/99/378789099.db2.gz GJLNHRRYUSPQLH-CYBMUJFWSA-N 2 2 281.469 3.151 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000348094474 378789104 /nfs/dbraw/zinc/78/91/04/378789104.db2.gz GJLNHRRYUSPQLH-CYBMUJFWSA-N 2 2 281.469 3.151 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346799714 218017332 /nfs/dbraw/zinc/01/73/32/218017332.db2.gz ACIHAIHEEDIWOA-BYCMXARLSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[N@H+]1C ZINC000346799714 218017334 /nfs/dbraw/zinc/01/73/34/218017334.db2.gz ACIHAIHEEDIWOA-BYCMXARLSA-N 2 2 294.439 3.435 20 0 CGADLP c1c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)onc1C1CC1 ZINC000638442815 378804771 /nfs/dbraw/zinc/80/47/71/378804771.db2.gz ZEDPRQFHNILWBO-UHFFFAOYSA-N 2 2 296.374 3.151 20 0 CGADLP c1ccc(NCCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]c1 ZINC000638518490 378823072 /nfs/dbraw/zinc/82/30/72/378823072.db2.gz LWZKYNMJXDUPHO-OWCLPIDISA-N 2 2 273.424 3.300 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000274489992 378840783 /nfs/dbraw/zinc/84/07/83/378840783.db2.gz ZLDCMPIIAIPUME-CYBMUJFWSA-N 2 2 275.421 3.173 20 0 CGADLP CO[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000348233657 378852667 /nfs/dbraw/zinc/85/26/67/378852667.db2.gz KHSYZQYOOGYDQX-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000348233657 378852671 /nfs/dbraw/zinc/85/26/71/378852671.db2.gz KHSYZQYOOGYDQX-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccncc1F ZINC000348290568 378889470 /nfs/dbraw/zinc/88/94/70/378889470.db2.gz PJCXUOVOBKFVBH-CYBMUJFWSA-N 2 2 273.355 3.208 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000348266390 378875289 /nfs/dbraw/zinc/87/52/89/378875289.db2.gz YGSGGJLUCGPYDK-ROUUACIJSA-N 2 2 272.436 3.256 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638788172 378911969 /nfs/dbraw/zinc/91/19/69/378911969.db2.gz BUGXZYSNTGVTLK-AWEZNQCLSA-N 2 2 291.439 3.010 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638788172 378911974 /nfs/dbraw/zinc/91/19/74/378911974.db2.gz BUGXZYSNTGVTLK-AWEZNQCLSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OC(F)F)cc1C ZINC000346992081 218083040 /nfs/dbraw/zinc/08/30/40/218083040.db2.gz ABGLORCLQMLZOO-TZMCWYRMSA-N 2 2 298.377 3.074 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(OC(F)F)cc1C ZINC000346992081 218083042 /nfs/dbraw/zinc/08/30/42/218083042.db2.gz ABGLORCLQMLZOO-TZMCWYRMSA-N 2 2 298.377 3.074 20 0 CGADLP c1ccc(OCCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347073876 218113737 /nfs/dbraw/zinc/11/37/37/218113737.db2.gz GAKRUJSWPKUGDQ-SFHVURJKSA-N 2 2 298.386 3.004 20 0 CGADLP c1ccc(OCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347073876 218113738 /nfs/dbraw/zinc/11/37/38/218113738.db2.gz GAKRUJSWPKUGDQ-SFHVURJKSA-N 2 2 298.386 3.004 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000370263240 378999939 /nfs/dbraw/zinc/99/99/39/378999939.db2.gz VXRRNMXANCSZOH-CYBMUJFWSA-N 2 2 261.413 3.278 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000347187860 218150002 /nfs/dbraw/zinc/15/00/02/218150002.db2.gz CRBLOCMSOBAYRB-AWEZNQCLSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000347187860 218150003 /nfs/dbraw/zinc/15/00/03/218150003.db2.gz CRBLOCMSOBAYRB-AWEZNQCLSA-N 2 2 266.816 3.080 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639132416 379057980 /nfs/dbraw/zinc/05/79/80/379057980.db2.gz BALGDPZZDRJMGU-NWANDNLSSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639132416 379057987 /nfs/dbraw/zinc/05/79/87/379057987.db2.gz BALGDPZZDRJMGU-NWANDNLSSA-N 2 2 286.410 3.417 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370728533 379062972 /nfs/dbraw/zinc/06/29/72/379062972.db2.gz BIEIOMMDMZWQDQ-LBPRGKRZSA-N 2 2 281.359 3.111 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370728533 379062979 /nfs/dbraw/zinc/06/29/79/379062979.db2.gz BIEIOMMDMZWQDQ-LBPRGKRZSA-N 2 2 281.359 3.111 20 0 CGADLP C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000277240440 379108416 /nfs/dbraw/zinc/10/84/16/379108416.db2.gz ZRRWBCKNSYQHAA-NSHDSACASA-N 2 2 277.318 3.321 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349196939 379186866 /nfs/dbraw/zinc/18/68/66/379186866.db2.gz VGYYLJUQVYCXCO-ILXRZTDVSA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349196939 379186874 /nfs/dbraw/zinc/18/68/74/379186874.db2.gz VGYYLJUQVYCXCO-ILXRZTDVSA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000277617614 379201800 /nfs/dbraw/zinc/20/18/00/379201800.db2.gz JSCUJKDOQBGVEM-TZMCWYRMSA-N 2 2 280.362 3.037 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000277617614 379201807 /nfs/dbraw/zinc/20/18/07/379201807.db2.gz JSCUJKDOQBGVEM-TZMCWYRMSA-N 2 2 280.362 3.037 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000349346816 379240525 /nfs/dbraw/zinc/24/05/25/379240525.db2.gz KQTOLEXXUMRZJO-RQOWECAXSA-N 2 2 273.355 3.058 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000349346816 379240527 /nfs/dbraw/zinc/24/05/27/379240527.db2.gz KQTOLEXXUMRZJO-RQOWECAXSA-N 2 2 273.355 3.058 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373104905 379222994 /nfs/dbraw/zinc/22/29/94/379222994.db2.gz SIQRDUHMHQKTQT-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373104905 379223000 /nfs/dbraw/zinc/22/30/00/379223000.db2.gz SIQRDUHMHQKTQT-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000266536625 190264838 /nfs/dbraw/zinc/26/48/38/190264838.db2.gz ONSVIBKWSFXAIK-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000266536625 190264839 /nfs/dbraw/zinc/26/48/39/190264839.db2.gz ONSVIBKWSFXAIK-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349412310 379272514 /nfs/dbraw/zinc/27/25/14/379272514.db2.gz BOBRDGFSWOAHQV-HOTGVXAUSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349412310 379272525 /nfs/dbraw/zinc/27/25/25/379272525.db2.gz BOBRDGFSWOAHQV-HOTGVXAUSA-N 2 2 261.413 3.197 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccsc1 ZINC000349422269 379276771 /nfs/dbraw/zinc/27/67/71/379276771.db2.gz UPJRDQQUPADCDC-UHFFFAOYSA-N 2 2 254.443 3.302 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccsc1 ZINC000349422269 379276782 /nfs/dbraw/zinc/27/67/82/379276782.db2.gz UPJRDQQUPADCDC-UHFFFAOYSA-N 2 2 254.443 3.302 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1F ZINC000349422843 379278068 /nfs/dbraw/zinc/27/80/68/379278068.db2.gz VOLSMPGDZSYGJC-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1F ZINC000349422843 379278077 /nfs/dbraw/zinc/27/80/77/379278077.db2.gz VOLSMPGDZSYGJC-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000349652712 379331962 /nfs/dbraw/zinc/33/19/62/379331962.db2.gz FWPVKTPPDLGGBY-JTQLQIEISA-N 2 2 289.876 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000278285624 379337770 /nfs/dbraw/zinc/33/77/70/379337770.db2.gz AXTDQNXZRXMPMX-KGLIPLIRSA-N 2 2 287.432 3.276 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2ncc(Cl)s2)CCCC1 ZINC000349568478 379308169 /nfs/dbraw/zinc/30/81/69/379308169.db2.gz LWLVLTUVWRLVSS-UHFFFAOYSA-N 2 2 287.860 3.008 20 0 CGADLP COc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1F ZINC000192708923 542268311 /nfs/dbraw/zinc/26/83/11/542268311.db2.gz JCDOEVUHWYPHMH-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H]1CCSC1 ZINC000278341673 379355032 /nfs/dbraw/zinc/35/50/32/379355032.db2.gz HJZVAQABIDEFOS-AWEZNQCLSA-N 2 2 289.448 3.078 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000639389704 379355126 /nfs/dbraw/zinc/35/51/26/379355126.db2.gz NETDTXWHCQNWEE-ROUUACIJSA-N 2 2 288.435 3.260 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639516255 379448167 /nfs/dbraw/zinc/44/81/67/379448167.db2.gz GAYOPSYHQSZSMY-SFHVURJKSA-N 2 2 298.434 3.386 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639516255 379448174 /nfs/dbraw/zinc/44/81/74/379448174.db2.gz GAYOPSYHQSZSMY-SFHVURJKSA-N 2 2 298.434 3.386 20 0 CGADLP CC1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000279523791 379451718 /nfs/dbraw/zinc/45/17/18/379451718.db2.gz YQEICZSTBHRIIO-UHFFFAOYSA-N 2 2 275.421 3.052 20 0 CGADLP CC1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000279523791 379451727 /nfs/dbraw/zinc/45/17/27/379451727.db2.gz YQEICZSTBHRIIO-UHFFFAOYSA-N 2 2 275.421 3.052 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CCSCc1ccccc1 ZINC000278991416 194243684 /nfs/dbraw/zinc/24/36/84/194243684.db2.gz QIKOLKXFNPSBKT-UHFFFAOYSA-N 2 2 286.444 3.456 20 0 CGADLP Cc1ccc(C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)c[nH+]1 ZINC000374675862 379473578 /nfs/dbraw/zinc/47/35/78/379473578.db2.gz FYWZXVHKGUTYCU-UHFFFAOYSA-N 2 2 296.418 3.489 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000279843479 379531187 /nfs/dbraw/zinc/53/11/87/379531187.db2.gz ZYZPSMSVWJFAGL-YJBOKZPZSA-N 2 2 284.403 3.298 20 0 CGADLP CSCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376594310 379584922 /nfs/dbraw/zinc/58/49/22/379584922.db2.gz DEXIFKBHELKLAK-AWEZNQCLSA-N 2 2 293.480 3.152 20 0 CGADLP CSCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376594310 379584928 /nfs/dbraw/zinc/58/49/28/379584928.db2.gz DEXIFKBHELKLAK-AWEZNQCLSA-N 2 2 293.480 3.152 20 0 CGADLP CC1=Nc2ccccc2C12CC[NH+](Cc1c[nH+]cn1C)CC2 ZINC000639715312 379558239 /nfs/dbraw/zinc/55/82/39/379558239.db2.gz NPRWPQNRTANMSZ-UHFFFAOYSA-N 2 2 294.402 3.060 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000640016291 379687143 /nfs/dbraw/zinc/68/71/43/379687143.db2.gz XGRZSWCFVBDWCZ-UHFFFAOYSA-N 2 2 288.435 3.195 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381218 379693365 /nfs/dbraw/zinc/69/33/65/379693365.db2.gz UFUGIHYDQIAFNP-HIFRSBDPSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381218 379693374 /nfs/dbraw/zinc/69/33/74/379693374.db2.gz UFUGIHYDQIAFNP-HIFRSBDPSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381218 379693381 /nfs/dbraw/zinc/69/33/81/379693381.db2.gz UFUGIHYDQIAFNP-HIFRSBDPSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381218 379693388 /nfs/dbraw/zinc/69/33/88/379693388.db2.gz UFUGIHYDQIAFNP-HIFRSBDPSA-N 2 2 280.362 3.150 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377403975 379674872 /nfs/dbraw/zinc/67/48/72/379674872.db2.gz UZYFYPLZLOKZJI-NRXISQOPSA-N 2 2 275.440 3.319 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377403975 379674878 /nfs/dbraw/zinc/67/48/78/379674878.db2.gz UZYFYPLZLOKZJI-NRXISQOPSA-N 2 2 275.440 3.319 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H](C3CCC3)CC2)c[nH+]1 ZINC000640107265 379722899 /nfs/dbraw/zinc/72/28/99/379722899.db2.gz YFWVRYPMAGTEEP-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H](C3CCC3)CC2)c[nH+]1 ZINC000640107265 379722906 /nfs/dbraw/zinc/72/29/06/379722906.db2.gz YFWVRYPMAGTEEP-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000377763376 379736269 /nfs/dbraw/zinc/73/62/69/379736269.db2.gz FMMUIFGMRIGLPZ-DZGCQCFKSA-N 2 2 273.424 3.301 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377799070 379743410 /nfs/dbraw/zinc/74/34/10/379743410.db2.gz QIEMVYCABFWZQA-DOMZBBRYSA-N 2 2 269.392 3.180 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377799070 379743413 /nfs/dbraw/zinc/74/34/13/379743413.db2.gz QIEMVYCABFWZQA-DOMZBBRYSA-N 2 2 269.392 3.180 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000377798295 379744700 /nfs/dbraw/zinc/74/47/00/379744700.db2.gz GUIUCRBDDDZQIB-GHMZBOCLSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000377798295 379744704 /nfs/dbraw/zinc/74/47/04/379744704.db2.gz GUIUCRBDDDZQIB-GHMZBOCLSA-N 2 2 261.394 3.069 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000352339124 379769672 /nfs/dbraw/zinc/76/96/72/379769672.db2.gz ZTGLJQMBLZGLFZ-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000352339124 379769674 /nfs/dbraw/zinc/76/96/74/379769674.db2.gz ZTGLJQMBLZGLFZ-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000389208246 379896066 /nfs/dbraw/zinc/89/60/66/379896066.db2.gz BCFIWLBNDMNUNI-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000389208246 379896070 /nfs/dbraw/zinc/89/60/70/379896070.db2.gz BCFIWLBNDMNUNI-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000389840703 379903363 /nfs/dbraw/zinc/90/33/63/379903363.db2.gz NOBZINZAQCXOMP-AOIWGVFYSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000389840703 379903368 /nfs/dbraw/zinc/90/33/68/379903368.db2.gz NOBZINZAQCXOMP-AOIWGVFYSA-N 2 2 284.447 3.453 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000352825275 379986007 /nfs/dbraw/zinc/98/60/07/379986007.db2.gz PAECHLTWLYVMMX-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000352825275 379986012 /nfs/dbraw/zinc/98/60/12/379986012.db2.gz PAECHLTWLYVMMX-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP CC[C@H](F)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837928 379992700 /nfs/dbraw/zinc/99/27/00/379992700.db2.gz IIVJTPMTTYLZLS-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837928 379992705 /nfs/dbraw/zinc/99/27/05/379992705.db2.gz IIVJTPMTTYLZLS-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352837928 379992714 /nfs/dbraw/zinc/99/27/14/379992714.db2.gz IIVJTPMTTYLZLS-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@H](F)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352837928 379992720 /nfs/dbraw/zinc/99/27/20/379992720.db2.gz IIVJTPMTTYLZLS-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000352900229 380027505 /nfs/dbraw/zinc/02/75/05/380027505.db2.gz JGVSCAKFMSNCRQ-USXIJHARSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000352900229 380027511 /nfs/dbraw/zinc/02/75/11/380027511.db2.gz JGVSCAKFMSNCRQ-USXIJHARSA-N 2 2 287.451 3.159 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000352903492 380029097 /nfs/dbraw/zinc/02/90/97/380029097.db2.gz VDJUUDHVPVINNB-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000352903492 380029102 /nfs/dbraw/zinc/02/91/02/380029102.db2.gz VDJUUDHVPVINNB-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977832 380063886 /nfs/dbraw/zinc/06/38/86/380063886.db2.gz HWZJIVWGYPGTQK-ZFWWWQNUSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977832 380063888 /nfs/dbraw/zinc/06/38/88/380063888.db2.gz HWZJIVWGYPGTQK-ZFWWWQNUSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977832 380063891 /nfs/dbraw/zinc/06/38/91/380063891.db2.gz HWZJIVWGYPGTQK-ZFWWWQNUSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000352977832 380063894 /nfs/dbraw/zinc/06/38/94/380063894.db2.gz HWZJIVWGYPGTQK-ZFWWWQNUSA-N 2 2 298.352 3.231 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410325447 380086790 /nfs/dbraw/zinc/08/67/90/380086790.db2.gz IPPXKSUBYHQYHK-HOTGVXAUSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410325447 380086796 /nfs/dbraw/zinc/08/67/96/380086796.db2.gz IPPXKSUBYHQYHK-HOTGVXAUSA-N 2 2 252.446 3.229 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046330 /nfs/dbraw/zinc/04/63/30/380046330.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046335 /nfs/dbraw/zinc/04/63/35/380046335.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046340 /nfs/dbraw/zinc/04/63/40/380046340.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931823 380046342 /nfs/dbraw/zinc/04/63/42/380046342.db2.gz OEJQDRLMNCUJPL-BLLLJJGKSA-N 2 2 288.366 3.098 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353148110 380141622 /nfs/dbraw/zinc/14/16/22/380141622.db2.gz ZNJUULVDLCUKHH-SFHVURJKSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccccc1C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353148110 380141628 /nfs/dbraw/zinc/14/16/28/380141628.db2.gz ZNJUULVDLCUKHH-SFHVURJKSA-N 2 2 272.436 3.445 20 0 CGADLP CC(=O)Nc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353944147 380246324 /nfs/dbraw/zinc/24/63/24/380246324.db2.gz JVGOIDNCWXGIFK-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000353994351 380268873 /nfs/dbraw/zinc/26/88/73/380268873.db2.gz AVIWSONIHJSOOX-DOTOQJQBSA-N 2 2 288.435 3.364 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000353994351 380268877 /nfs/dbraw/zinc/26/88/77/380268877.db2.gz AVIWSONIHJSOOX-DOTOQJQBSA-N 2 2 288.435 3.364 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643069564 380210699 /nfs/dbraw/zinc/21/06/99/380210699.db2.gz VLPLBGRLJWDTTR-RDJZCZTQSA-N 2 2 290.476 3.079 20 0 CGADLP Cc1ccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643069564 380210705 /nfs/dbraw/zinc/21/07/05/380210705.db2.gz VLPLBGRLJWDTTR-RDJZCZTQSA-N 2 2 290.476 3.079 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066791 380210761 /nfs/dbraw/zinc/21/07/61/380210761.db2.gz TYRLWUKAJQIPDN-UXIGCNINSA-N 2 2 296.361 3.033 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066791 380210764 /nfs/dbraw/zinc/21/07/64/380210764.db2.gz TYRLWUKAJQIPDN-UXIGCNINSA-N 2 2 296.361 3.033 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906951 380227670 /nfs/dbraw/zinc/22/76/70/380227670.db2.gz BYZJSNYQEOSCBB-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906951 380227675 /nfs/dbraw/zinc/22/76/75/380227675.db2.gz BYZJSNYQEOSCBB-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc2ccccc21 ZINC000643505520 380326374 /nfs/dbraw/zinc/32/63/74/380326374.db2.gz YFWGALVCKWEWIT-QGZVFWFLSA-N 2 2 256.393 3.490 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000643506079 380326930 /nfs/dbraw/zinc/32/69/30/380326930.db2.gz JXHBBLIZLFGQQG-JTQLQIEISA-N 2 2 272.314 3.108 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000643506067 380327044 /nfs/dbraw/zinc/32/70/44/380327044.db2.gz JRXAWECLNIVCMR-AWEZNQCLSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[NH2+]C1CC1 ZINC000643507756 380330413 /nfs/dbraw/zinc/33/04/13/380330413.db2.gz OOYNHTSPIKNJPX-KRWDZBQOSA-N 2 2 283.419 3.195 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000643508608 380331644 /nfs/dbraw/zinc/33/16/44/380331644.db2.gz MDJARUICPLUUSG-PXAZEXFGSA-N 2 2 286.423 3.192 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](C)CC(F)(F)F)n2c1 ZINC000414536622 380306587 /nfs/dbraw/zinc/30/65/87/380306587.db2.gz ZXNGVAQSQVXAMK-LLVKDONJSA-N 2 2 285.313 3.321 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414540182 380308676 /nfs/dbraw/zinc/30/86/76/380308676.db2.gz GBHKVXJIBUVPKW-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000414540182 380308683 /nfs/dbraw/zinc/30/86/83/380308683.db2.gz GBHKVXJIBUVPKW-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP CC[C@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000354078591 380311538 /nfs/dbraw/zinc/31/15/38/380311538.db2.gz VBUTZTUQJAIEFX-QGZVFWFLSA-N 2 2 269.392 3.494 20 0 CGADLP CC[C@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000354078591 380311544 /nfs/dbraw/zinc/31/15/44/380311544.db2.gz VBUTZTUQJAIEFX-QGZVFWFLSA-N 2 2 269.392 3.494 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225699 380369572 /nfs/dbraw/zinc/36/95/72/380369572.db2.gz SXGFCPCRZUXQEI-ZIAGYGMSSA-N 2 2 287.407 3.132 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225699 380369580 /nfs/dbraw/zinc/36/95/80/380369580.db2.gz SXGFCPCRZUXQEI-ZIAGYGMSSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225699 380369586 /nfs/dbraw/zinc/36/95/86/380369586.db2.gz SXGFCPCRZUXQEI-ZIAGYGMSSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225699 380369588 /nfs/dbraw/zinc/36/95/88/380369588.db2.gz SXGFCPCRZUXQEI-ZIAGYGMSSA-N 2 2 287.407 3.132 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225697 380369746 /nfs/dbraw/zinc/36/97/46/380369746.db2.gz SXGFCPCRZUXQEI-KGLIPLIRSA-N 2 2 287.407 3.132 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225697 380369751 /nfs/dbraw/zinc/36/97/51/380369751.db2.gz SXGFCPCRZUXQEI-KGLIPLIRSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225697 380369755 /nfs/dbraw/zinc/36/97/55/380369755.db2.gz SXGFCPCRZUXQEI-KGLIPLIRSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3o2)C[C@H]1C ZINC000354225697 380369762 /nfs/dbraw/zinc/36/97/62/380369762.db2.gz SXGFCPCRZUXQEI-KGLIPLIRSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2o1 ZINC000414697874 380378795 /nfs/dbraw/zinc/37/87/95/380378795.db2.gz CMVHNXZAZUZRTB-CQSZACIVSA-N 2 2 260.381 3.238 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000414697874 380378799 /nfs/dbraw/zinc/37/87/99/380378799.db2.gz CMVHNXZAZUZRTB-CQSZACIVSA-N 2 2 260.381 3.238 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414702050 380379600 /nfs/dbraw/zinc/37/96/00/380379600.db2.gz LKYFVIDKKATKAB-ZFWWWQNUSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414702050 380379608 /nfs/dbraw/zinc/37/96/08/380379608.db2.gz LKYFVIDKKATKAB-ZFWWWQNUSA-N 2 2 278.415 3.392 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000643800239 380380610 /nfs/dbraw/zinc/38/06/10/380380610.db2.gz GMOLXNMDDVYHBX-HOTGVXAUSA-N 2 2 270.420 3.182 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000643800239 380380613 /nfs/dbraw/zinc/38/06/13/380380613.db2.gz GMOLXNMDDVYHBX-HOTGVXAUSA-N 2 2 270.420 3.182 20 0 CGADLP COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1ccccc1 ZINC000414710080 380383911 /nfs/dbraw/zinc/38/39/11/380383911.db2.gz RVCNJUFAYLIBPA-RDJZCZTQSA-N 2 2 278.440 3.069 20 0 CGADLP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)c1ccccc1 ZINC000414710080 380383914 /nfs/dbraw/zinc/38/39/14/380383914.db2.gz RVCNJUFAYLIBPA-RDJZCZTQSA-N 2 2 278.440 3.069 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000643526073 380340571 /nfs/dbraw/zinc/34/05/71/380340571.db2.gz OTNTUNINWGMEEP-PELKAZGASA-N 2 2 261.196 3.381 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527080 380343219 /nfs/dbraw/zinc/34/32/19/380343219.db2.gz JTOAXVNKKQGNAK-VXGBXAGGSA-N 2 2 260.381 3.301 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2cccnc2)c[nH+]1 ZINC000354162742 380350232 /nfs/dbraw/zinc/35/02/32/380350232.db2.gz KMBPJRXRFPIQGC-CQSZACIVSA-N 2 2 255.365 3.068 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000643538095 380355592 /nfs/dbraw/zinc/35/55/92/380355592.db2.gz YLMDXGIRDBYDGG-ICCXJUOJSA-N 2 2 290.304 3.056 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(F)c1F ZINC000643547235 380361977 /nfs/dbraw/zinc/36/19/77/380361977.db2.gz BSDXTJPFAVMLME-NWDGAFQWSA-N 2 2 280.362 3.290 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414817534 380428662 /nfs/dbraw/zinc/42/86/62/380428662.db2.gz SKFMWNXPYGORLB-LLVKDONJSA-N 2 2 295.477 3.479 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414818930 380430206 /nfs/dbraw/zinc/43/02/06/380430206.db2.gz XEMAVDKDILXPHR-AWEZNQCLSA-N 2 2 289.448 3.417 20 0 CGADLP C[C@H](CC[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414824081 380433336 /nfs/dbraw/zinc/43/33/36/380433336.db2.gz AABOYJVRJOPLGZ-QAPCUYQASA-N 2 2 268.404 3.470 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414824203 380433912 /nfs/dbraw/zinc/43/39/12/380433912.db2.gz JUGPWGFNTIVVRX-UHFFFAOYSA-N 2 2 294.345 3.140 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414826708 380436519 /nfs/dbraw/zinc/43/65/19/380436519.db2.gz GBBQWSJUWJXDBY-SFHVURJKSA-N 2 2 284.403 3.263 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414831041 380439923 /nfs/dbraw/zinc/43/99/23/380439923.db2.gz BTJUESHODZUPJF-VIFPVBQESA-N 2 2 280.359 3.230 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414839561 380445234 /nfs/dbraw/zinc/44/52/34/380445234.db2.gz LMJMYMVDQMQSLD-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000354461286 380448247 /nfs/dbraw/zinc/44/82/47/380448247.db2.gz IIZQWZVJEIONNJ-BRWVUGGUSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](CCO)c2ccccc2)c[nH+]1 ZINC000354464711 380449864 /nfs/dbraw/zinc/44/98/64/380449864.db2.gz PIUNTYTYXFVWIU-LJQANCHMSA-N 2 2 298.430 3.078 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](CCO)c2ccccc2)c[nH+]1 ZINC000354464709 380450303 /nfs/dbraw/zinc/45/03/03/380450303.db2.gz PIUNTYTYXFVWIU-IBGZPJMESA-N 2 2 298.430 3.078 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cncs2)cc1 ZINC000414850482 380453204 /nfs/dbraw/zinc/45/32/04/380453204.db2.gz SISSOGGXPMIIOV-HNNXBMFYSA-N 2 2 275.421 3.056 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cn3c(cccc3C)n2)c[nH+]1 ZINC000354335240 380404896 /nfs/dbraw/zinc/40/48/96/380404896.db2.gz QVKXIDMREBKVTI-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP Cc1ccc(CCCNc2ccc([C@@H](C)[NH3+])cc2)c[nH+]1 ZINC000414798132 380412691 /nfs/dbraw/zinc/41/26/91/380412691.db2.gz FABFVNCAKSYTIB-CQSZACIVSA-N 2 2 269.392 3.454 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(F)cccc1Cl ZINC000414799281 380413263 /nfs/dbraw/zinc/41/32/63/380413263.db2.gz GOULWILYHMMXPJ-UHFFFAOYSA-N 2 2 258.768 3.086 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414799401 380413396 /nfs/dbraw/zinc/41/33/96/380413396.db2.gz RGVAICGIXSVYKC-MRXNPFEDSA-N 2 2 276.424 3.081 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354573093 380490455 /nfs/dbraw/zinc/49/04/55/380490455.db2.gz UJAKMYYPJHRRKK-UHFFFAOYSA-N 2 2 275.371 3.374 20 0 CGADLP Cc1ccc(CCC[NH2+]CC23CCC(CC2)C3)c[nH+]1 ZINC000354579135 380494055 /nfs/dbraw/zinc/49/40/55/380494055.db2.gz ZWFBCDZDYLRYSW-UHFFFAOYSA-N 2 2 258.409 3.493 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c[nH+]1 ZINC000354638422 380510045 /nfs/dbraw/zinc/51/00/45/380510045.db2.gz QDUSLRZIYORRIY-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](OCC3CC3)C2)c[nH+]1 ZINC000354638422 380510050 /nfs/dbraw/zinc/51/00/50/380510050.db2.gz QDUSLRZIYORRIY-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1-c1cccs1 ZINC000414867619 380467298 /nfs/dbraw/zinc/46/72/98/380467298.db2.gz GTMAVNSPBKVAPI-GFCCVEGCSA-N 2 2 276.380 3.006 20 0 CGADLP Fc1cccc(Oc2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2)c1 ZINC000414891733 380475460 /nfs/dbraw/zinc/47/54/60/380475460.db2.gz WVJOHPRZQRHHKU-HNNXBMFYSA-N 2 2 286.350 3.070 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c[nH+]1 ZINC000354668202 380521687 /nfs/dbraw/zinc/52/16/87/380521687.db2.gz SIDUQEKYPPEBFS-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)c[nH+]1 ZINC000354668202 380521693 /nfs/dbraw/zinc/52/16/93/380521693.db2.gz SIDUQEKYPPEBFS-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000354686849 380527820 /nfs/dbraw/zinc/52/78/20/380527820.db2.gz QXMYUTZDTDQZBC-HZPDHXFCSA-N 2 2 293.455 3.361 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000354686849 380527830 /nfs/dbraw/zinc/52/78/30/380527830.db2.gz QXMYUTZDTDQZBC-HZPDHXFCSA-N 2 2 293.455 3.361 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837213 190440654 /nfs/dbraw/zinc/44/06/54/190440654.db2.gz UWMRIKYLAQWFIN-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837213 190440655 /nfs/dbraw/zinc/44/06/55/190440655.db2.gz UWMRIKYLAQWFIN-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322071 380593572 /nfs/dbraw/zinc/59/35/72/380593572.db2.gz MLYYULMZJFNUGW-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322071 380593575 /nfs/dbraw/zinc/59/35/75/380593575.db2.gz MLYYULMZJFNUGW-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417365972 380611212 /nfs/dbraw/zinc/61/12/12/380611212.db2.gz OFZHZVRVCLKTQX-HIFRSBDPSA-N 2 2 267.376 3.323 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000417379686 380615102 /nfs/dbraw/zinc/61/51/02/380615102.db2.gz JOGMHNJRMSEBII-AWEZNQCLSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393712 380668032 /nfs/dbraw/zinc/66/80/32/380668032.db2.gz ZUJFMSWYXPZOAP-DYVFJYSZSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393712 380668037 /nfs/dbraw/zinc/66/80/37/380668037.db2.gz ZUJFMSWYXPZOAP-DYVFJYSZSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000355499908 380690077 /nfs/dbraw/zinc/69/00/77/380690077.db2.gz BWQOQQRUPAAESZ-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000355499908 380690080 /nfs/dbraw/zinc/69/00/80/380690080.db2.gz BWQOQQRUPAAESZ-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1COC(C)(C)C1)[NH+](C)C ZINC000418027540 380693425 /nfs/dbraw/zinc/69/34/25/380693425.db2.gz PIAKAGDKNRWPRL-INMHGKMJSA-N 2 2 290.451 3.143 20 0 CGADLP C[C@H]1[C@@H](C)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000418119999 380703562 /nfs/dbraw/zinc/70/35/62/380703562.db2.gz HHVLRWWOZMSHMS-JHJVBQTASA-N 2 2 275.421 3.410 20 0 CGADLP C[C@H]1[C@@H](C)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000418119999 380703568 /nfs/dbraw/zinc/70/35/68/380703568.db2.gz HHVLRWWOZMSHMS-JHJVBQTASA-N 2 2 275.421 3.410 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811001 380740034 /nfs/dbraw/zinc/74/00/34/380740034.db2.gz PNBQCILTCJZEBT-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811001 380740040 /nfs/dbraw/zinc/74/00/40/380740040.db2.gz PNBQCILTCJZEBT-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419339572 380808652 /nfs/dbraw/zinc/80/86/52/380808652.db2.gz UZSCZTKBDFOAIL-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419339572 380808656 /nfs/dbraw/zinc/80/86/56/380808656.db2.gz UZSCZTKBDFOAIL-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000420392865 380851522 /nfs/dbraw/zinc/85/15/22/380851522.db2.gz WJZGOONLJWJCMS-NSHDSACASA-N 2 2 296.365 3.034 20 0 CGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000420392865 380851531 /nfs/dbraw/zinc/85/15/31/380851531.db2.gz WJZGOONLJWJCMS-NSHDSACASA-N 2 2 296.365 3.034 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000357328826 381108440 /nfs/dbraw/zinc/10/84/40/381108440.db2.gz ZEFFLFZGVBBAGQ-LLVKDONJSA-N 2 2 286.766 3.007 20 0 CGADLP COc1cccc2c(N[C@H](C)Cn3cc[nH+]c3)cc(C)[nH+]c12 ZINC000357328067 381108580 /nfs/dbraw/zinc/10/85/80/381108580.db2.gz WEMYBNOQBYGLEW-CYBMUJFWSA-N 2 2 296.374 3.249 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000357348945 381121327 /nfs/dbraw/zinc/12/13/27/381121327.db2.gz HSOOTNKOGJFVKW-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357348945 381121337 /nfs/dbraw/zinc/12/13/37/381121337.db2.gz HSOOTNKOGJFVKW-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000357410008 381148327 /nfs/dbraw/zinc/14/83/27/381148327.db2.gz FPDOZPYQUPUXDP-QAPCUYQASA-N 2 2 290.451 3.468 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000359590420 381355248 /nfs/dbraw/zinc/35/52/48/381355248.db2.gz KNTLXCQLCKTSET-MJEQTWJJSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000359590420 381355254 /nfs/dbraw/zinc/35/52/54/381355254.db2.gz KNTLXCQLCKTSET-MJEQTWJJSA-N 2 2 276.399 3.133 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000360079802 381438574 /nfs/dbraw/zinc/43/85/74/381438574.db2.gz PYYDLVJBENSFBH-GDBMZVCRSA-N 2 2 299.418 3.428 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000360866035 381630829 /nfs/dbraw/zinc/63/08/29/381630829.db2.gz VWPUIIPDESMKAN-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000360866035 381630830 /nfs/dbraw/zinc/63/08/30/381630830.db2.gz VWPUIIPDESMKAN-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481543 381766765 /nfs/dbraw/zinc/76/67/65/381766765.db2.gz OEQNHVMENYHYFR-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481543 381766769 /nfs/dbraw/zinc/76/67/69/381766769.db2.gz OEQNHVMENYHYFR-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361481369 381767028 /nfs/dbraw/zinc/76/70/28/381767028.db2.gz MCVUXFLDORJLQS-INIZCTEOSA-N 2 2 255.365 3.151 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000425333470 295642908 /nfs/dbraw/zinc/64/29/08/295642908.db2.gz CLJMQHXRFHSKRZ-BRWVUGGUSA-N 2 2 290.476 3.307 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000232720989 542306189 /nfs/dbraw/zinc/30/61/89/542306189.db2.gz JANXOYVYILCSGX-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232720989 542306191 /nfs/dbraw/zinc/30/61/91/542306191.db2.gz JANXOYVYILCSGX-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCS2 ZINC000236259743 542314870 /nfs/dbraw/zinc/31/48/70/542314870.db2.gz JCKJGMSOUYWLGE-GXTWGEPZSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000235206324 542311510 /nfs/dbraw/zinc/31/15/10/542311510.db2.gz RHUATDREXJJMLL-VXGBXAGGSA-N 2 2 252.789 3.133 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367590033 382350724 /nfs/dbraw/zinc/35/07/24/382350724.db2.gz RVOQXBNQLHUZRW-ZACQAIPSSA-N 2 2 273.424 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367590033 382350728 /nfs/dbraw/zinc/35/07/28/382350728.db2.gz RVOQXBNQLHUZRW-ZACQAIPSSA-N 2 2 273.424 3.037 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253365619 542352568 /nfs/dbraw/zinc/35/25/68/542352568.db2.gz PEAQMPNUSCHEMM-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253365619 542352572 /nfs/dbraw/zinc/35/25/72/542352572.db2.gz PEAQMPNUSCHEMM-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423436715 532992900 /nfs/dbraw/zinc/99/29/00/532992900.db2.gz FRVMHVJREUEDLP-UTLUCORTSA-N 2 2 266.772 3.473 20 0 CGADLP CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353743848 220295055 /nfs/dbraw/zinc/29/50/55/220295055.db2.gz DMTUBMIVUZLICR-DOTOQJQBSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000353743848 220295057 /nfs/dbraw/zinc/29/50/57/220295057.db2.gz DMTUBMIVUZLICR-DOTOQJQBSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353743848 220295059 /nfs/dbraw/zinc/29/50/59/220295059.db2.gz DMTUBMIVUZLICR-DOTOQJQBSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000353743848 220295061 /nfs/dbraw/zinc/29/50/61/220295061.db2.gz DMTUBMIVUZLICR-DOTOQJQBSA-N 2 2 290.451 3.390 20 0 CGADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000353744607 220295388 /nfs/dbraw/zinc/29/53/88/220295388.db2.gz GEBMKPFPRUIDKW-KBPBESRZSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000353744607 220295391 /nfs/dbraw/zinc/29/53/91/220295391.db2.gz GEBMKPFPRUIDKW-KBPBESRZSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000353744607 220295397 /nfs/dbraw/zinc/29/53/97/220295397.db2.gz GEBMKPFPRUIDKW-KBPBESRZSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000353744607 220295399 /nfs/dbraw/zinc/29/53/99/220295399.db2.gz GEBMKPFPRUIDKW-KBPBESRZSA-N 2 2 264.413 3.147 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000273841935 542370411 /nfs/dbraw/zinc/37/04/11/542370411.db2.gz JRQWANPHWDEATR-MRXNPFEDSA-N 2 2 255.365 3.110 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000273841935 542370415 /nfs/dbraw/zinc/37/04/15/542370415.db2.gz JRQWANPHWDEATR-MRXNPFEDSA-N 2 2 255.365 3.110 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752691 220306130 /nfs/dbraw/zinc/30/61/30/220306130.db2.gz TXXBAYFINFGBEB-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752691 220306131 /nfs/dbraw/zinc/30/61/31/220306131.db2.gz TXXBAYFINFGBEB-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752691 220306135 /nfs/dbraw/zinc/30/61/35/220306135.db2.gz TXXBAYFINFGBEB-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752691 220306138 /nfs/dbraw/zinc/30/61/38/220306138.db2.gz TXXBAYFINFGBEB-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000286219911 542391386 /nfs/dbraw/zinc/39/13/86/542391386.db2.gz SIJGGEMEXICXLT-KBPBESRZSA-N 2 2 286.423 3.190 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2sccc2C1 ZINC000289066648 197226111 /nfs/dbraw/zinc/22/61/11/197226111.db2.gz JLGSPTIOXXVHGS-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2sccc2C1 ZINC000289066648 197226113 /nfs/dbraw/zinc/22/61/13/197226113.db2.gz JLGSPTIOXXVHGS-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353465420 542557429 /nfs/dbraw/zinc/55/74/29/542557429.db2.gz UHSPTQRDYVWCDW-ROUUACIJSA-N 2 2 287.451 3.070 20 0 CGADLP COCCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657497 533232291 /nfs/dbraw/zinc/23/22/91/533232291.db2.gz LQMMRUYPCVNDPV-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000417928165 533323319 /nfs/dbraw/zinc/32/33/19/533323319.db2.gz GZSXCGQJJFYKQL-ZBFHGGJFSA-N 2 2 290.451 3.273 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423532713 533417251 /nfs/dbraw/zinc/41/72/51/533417251.db2.gz ROTYVIKPMYWWFX-XJKSGUPXSA-N 2 2 276.424 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000423229405 533419696 /nfs/dbraw/zinc/41/96/96/533419696.db2.gz BEUYHRGMYQZPKJ-RNCFNFMXSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1)[C@H](C)[NH3+] ZINC000423436710 533502055 /nfs/dbraw/zinc/50/20/55/533502055.db2.gz FRVMHVJREUEDLP-AEJSXWLSSA-N 2 2 266.772 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000436471857 533507901 /nfs/dbraw/zinc/50/79/01/533507901.db2.gz WKXAEWMNZBCPJP-NEPJUHHUSA-N 2 2 299.403 3.136 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000367322294 533602537 /nfs/dbraw/zinc/60/25/37/533602537.db2.gz PLMFHRSLVNYYBL-MRXNPFEDSA-N 2 2 299.418 3.122 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(C)c1O ZINC000367322294 533602543 /nfs/dbraw/zinc/60/25/43/533602543.db2.gz PLMFHRSLVNYYBL-MRXNPFEDSA-N 2 2 299.418 3.122 20 0 CGADLP C[C@H]([NH2+]CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896003 130036640 /nfs/dbraw/zinc/03/66/40/130036640.db2.gz BROUAYWCPLEOEI-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000386255614 542603284 /nfs/dbraw/zinc/60/32/84/542603284.db2.gz UCZRKGTUROHDOX-ZFWWWQNUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000386255614 542603289 /nfs/dbraw/zinc/60/32/89/542603289.db2.gz UCZRKGTUROHDOX-ZFWWWQNUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000396629282 542616917 /nfs/dbraw/zinc/61/69/17/542616917.db2.gz ZHOCNOUNPMNRJX-UKRRQHHQSA-N 2 2 285.391 3.090 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000389419904 542608262 /nfs/dbraw/zinc/60/82/62/542608262.db2.gz AOZHVOCBOBDOPV-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000389419904 542608266 /nfs/dbraw/zinc/60/82/66/542608266.db2.gz AOZHVOCBOBDOPV-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869230 542609608 /nfs/dbraw/zinc/60/96/08/542609608.db2.gz OGHMPAYKYQIEBU-HNAYVOBHSA-N 2 2 296.414 3.002 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869230 542609610 /nfs/dbraw/zinc/60/96/10/542609610.db2.gz OGHMPAYKYQIEBU-HNAYVOBHSA-N 2 2 296.414 3.002 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000377000117 285455480 /nfs/dbraw/zinc/45/54/80/285455480.db2.gz JCKUKMFLTMGXDR-HNNXBMFYSA-N 2 2 285.391 3.022 20 0 CGADLP CC(C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000052377208 392078570 /nfs/dbraw/zinc/07/85/70/392078570.db2.gz BYUWPHOTEPJMIN-KRWDZBQOSA-N 2 2 260.425 3.458 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092047537 392231344 /nfs/dbraw/zinc/23/13/44/392231344.db2.gz RHOLZCXDUHXCKJ-JCYILVPMSA-N 2 2 264.457 3.373 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092047537 392231348 /nfs/dbraw/zinc/23/13/48/392231348.db2.gz RHOLZCXDUHXCKJ-JCYILVPMSA-N 2 2 264.457 3.373 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccon1 ZINC000361748303 392312057 /nfs/dbraw/zinc/31/20/57/392312057.db2.gz ANSBVVYQDLFASU-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000230693938 130907160 /nfs/dbraw/zinc/90/71/60/130907160.db2.gz RAUXTOQQPCKPAS-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCC23CCC3)ccc1-n1cc[nH+]c1 ZINC000281982546 392267745 /nfs/dbraw/zinc/26/77/45/392267745.db2.gz CAEQYDUIVGESKA-INIZCTEOSA-N 2 2 285.366 3.434 20 0 CGADLP CCCC[C@@H](CC)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000438123679 542662533 /nfs/dbraw/zinc/66/25/33/542662533.db2.gz YMNWGYQPNYFQFZ-MRXNPFEDSA-N 2 2 292.471 3.134 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361929788 392366445 /nfs/dbraw/zinc/36/64/45/392366445.db2.gz ZSYXKQNSKJWRPO-GPMSIDNRSA-N 2 2 298.430 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361929788 392366451 /nfs/dbraw/zinc/36/64/51/392366451.db2.gz ZSYXKQNSKJWRPO-GPMSIDNRSA-N 2 2 298.430 3.321 20 0 CGADLP CC(C)c1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000110126395 392378208 /nfs/dbraw/zinc/37/82/08/392378208.db2.gz GIQBYKKNRBOXRQ-UHFFFAOYSA-N 2 2 276.428 3.321 20 0 CGADLP c1cn(CCC[NH2+][C@@H](c2ccccc2)C2CCOCC2)c[nH+]1 ZINC000361987976 392382076 /nfs/dbraw/zinc/38/20/76/392382076.db2.gz UQFMPUWMDZQPAH-SFHVURJKSA-N 2 2 299.418 3.031 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287327046 392395467 /nfs/dbraw/zinc/39/54/67/392395467.db2.gz MCHCUWUDGTWWED-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287327046 392395471 /nfs/dbraw/zinc/39/54/71/392395471.db2.gz MCHCUWUDGTWWED-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](CCCO)Cc1ccccc1 ZINC000289036672 392412199 /nfs/dbraw/zinc/41/21/99/392412199.db2.gz BFCPWLAXLMVBNK-UHFFFAOYSA-N 2 2 298.430 3.207 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000289036672 392412207 /nfs/dbraw/zinc/41/22/07/392412207.db2.gz BFCPWLAXLMVBNK-UHFFFAOYSA-N 2 2 298.430 3.207 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccs1)CCC2 ZINC000366208754 392451356 /nfs/dbraw/zinc/45/13/56/392451356.db2.gz IYEXRYMUOOVZRT-CHWSQXEVSA-N 2 2 275.421 3.481 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000154537222 392535472 /nfs/dbraw/zinc/53/54/72/392535472.db2.gz BHHYBGAPRWOXBK-SWLSCSKDSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000154537222 392535474 /nfs/dbraw/zinc/53/54/74/392535474.db2.gz BHHYBGAPRWOXBK-SWLSCSKDSA-N 2 2 294.826 3.238 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC34CCOCC4)[nH]c2c1 ZINC000367087963 392470555 /nfs/dbraw/zinc/47/05/55/392470555.db2.gz RUQFHOYJLPEDPZ-MRXNPFEDSA-N 2 2 299.418 3.044 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000291779647 392480475 /nfs/dbraw/zinc/48/04/75/392480475.db2.gz UUMGPSJJLMKDQN-XJKSGUPXSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000291779647 392480479 /nfs/dbraw/zinc/48/04/79/392480479.db2.gz UUMGPSJJLMKDQN-XJKSGUPXSA-N 2 2 294.389 3.284 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947353 392489608 /nfs/dbraw/zinc/48/96/08/392489608.db2.gz PSTQBLIHWIKCHP-XIRDDKMYSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947353 392489610 /nfs/dbraw/zinc/48/96/10/392489610.db2.gz PSTQBLIHWIKCHP-XIRDDKMYSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295892096 392551751 /nfs/dbraw/zinc/55/17/51/392551751.db2.gz IGNZNMDGPHHPNP-JSGCOSHPSA-N 2 2 293.842 3.186 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295892096 392551756 /nfs/dbraw/zinc/55/17/56/392551756.db2.gz IGNZNMDGPHHPNP-JSGCOSHPSA-N 2 2 293.842 3.186 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000156358220 392546337 /nfs/dbraw/zinc/54/63/37/392546337.db2.gz YUONBWBGMBEBTJ-HNNXBMFYSA-N 2 2 276.449 3.296 20 0 CGADLP CC[NH+]1CCC(CNc2[nH+]ccc3c(OC)cccc32)CC1 ZINC000319017687 392669338 /nfs/dbraw/zinc/66/93/38/392669338.db2.gz ADVXIOBMDTYZTC-UHFFFAOYSA-N 2 2 299.418 3.387 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000647316045 392660014 /nfs/dbraw/zinc/66/00/14/392660014.db2.gz MMAFNEFRIMOPFM-YOEHRIQHSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000647316045 392660017 /nfs/dbraw/zinc/66/00/17/392660017.db2.gz MMAFNEFRIMOPFM-YOEHRIQHSA-N 2 2 270.420 3.056 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCCC1 ZINC000334398160 392726065 /nfs/dbraw/zinc/72/60/65/392726065.db2.gz XCDROYNDEJIPAS-JSGCOSHPSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCCC1 ZINC000334398160 392726072 /nfs/dbraw/zinc/72/60/72/392726072.db2.gz XCDROYNDEJIPAS-JSGCOSHPSA-N 2 2 261.413 3.216 20 0 CGADLP c1cn(CCC[N@@H+]2CCS[C@H](c3ccccc3)C2)c[nH+]1 ZINC000375004572 392725994 /nfs/dbraw/zinc/72/59/94/392725994.db2.gz NJOHQICDVGFYKR-INIZCTEOSA-N 2 2 287.432 3.063 20 0 CGADLP c1cn(CCC[N@H+]2CCS[C@H](c3ccccc3)C2)c[nH+]1 ZINC000375004572 392726002 /nfs/dbraw/zinc/72/60/02/392726002.db2.gz NJOHQICDVGFYKR-INIZCTEOSA-N 2 2 287.432 3.063 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553830 392767498 /nfs/dbraw/zinc/76/74/98/392767498.db2.gz KLDXTJUKZNVIQR-KRWDZBQOSA-N 2 2 288.435 3.240 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC000647533223 392754566 /nfs/dbraw/zinc/75/45/66/392754566.db2.gz NJZCBKBRWKOUHX-KBXCAEBGSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC000647533223 392754572 /nfs/dbraw/zinc/75/45/72/392754572.db2.gz NJZCBKBRWKOUHX-KBXCAEBGSA-N 2 2 296.414 3.032 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647549406 392762853 /nfs/dbraw/zinc/76/28/53/392762853.db2.gz YGOTVYOIEFCKDC-IPYPFGDCSA-N 2 2 278.465 3.447 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](CC3CCCCCC3)CC2)CCO1 ZINC000179346329 392697753 /nfs/dbraw/zinc/69/77/53/392697753.db2.gz OXCBEPACISFYGH-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](CC3CCCCCC3)CC2)CCO1 ZINC000179346329 392697758 /nfs/dbraw/zinc/69/77/58/392697758.db2.gz OXCBEPACISFYGH-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000181063958 392719396 /nfs/dbraw/zinc/71/93/96/392719396.db2.gz PTKFDBPIHBMFBT-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000181063958 392719400 /nfs/dbraw/zinc/71/94/00/392719400.db2.gz PTKFDBPIHBMFBT-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553831 392766975 /nfs/dbraw/zinc/76/69/75/392766975.db2.gz KLDXTJUKZNVIQR-QGZVFWFLSA-N 2 2 288.435 3.240 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554089 392767008 /nfs/dbraw/zinc/76/70/08/392767008.db2.gz QOTAVVHGEZVACE-QGZUEGPWSA-N 2 2 274.383 3.103 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187840396 392794645 /nfs/dbraw/zinc/79/46/45/392794645.db2.gz IRZMHFAJMRLMAZ-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187840396 392794650 /nfs/dbraw/zinc/79/46/50/392794650.db2.gz IRZMHFAJMRLMAZ-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+]1CCCCC1 ZINC000510649413 392806496 /nfs/dbraw/zinc/80/64/96/392806496.db2.gz HRUHIRQWBWOPOR-HZPDHXFCSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC13CCCC3)CCC2 ZINC000336064027 392831110 /nfs/dbraw/zinc/83/11/10/392831110.db2.gz HTNXWTDNIYIRSF-CABCVRRESA-N 2 2 273.424 3.381 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ncc[nH]1 ZINC000375844109 392831381 /nfs/dbraw/zinc/83/13/81/392831381.db2.gz ZREGTSXCGWJHLP-HUUCEWRRSA-N 2 2 298.434 3.286 20 0 CGADLP C[C@@H](c1ccccc1Br)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925251 392834649 /nfs/dbraw/zinc/83/46/49/392834649.db2.gz ADOKIFOVQYUVCL-NSHDSACASA-N 2 2 297.240 3.323 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3c1cccc3F)CCC2 ZINC000338240280 392902676 /nfs/dbraw/zinc/90/26/76/392902676.db2.gz UFGSDOZFGBCCKM-GUYCJALGSA-N 2 2 299.393 3.485 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194354517 392916070 /nfs/dbraw/zinc/91/60/70/392916070.db2.gz USCSZKNGAYGXKO-HOTGVXAUSA-N 2 2 298.434 3.039 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000376043419 392857039 /nfs/dbraw/zinc/85/70/39/392857039.db2.gz PWLJYSWCPVTFCK-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000376043419 392857044 /nfs/dbraw/zinc/85/70/44/392857044.db2.gz PWLJYSWCPVTFCK-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000382039485 392917133 /nfs/dbraw/zinc/91/71/33/392917133.db2.gz DDTQUSQTGZBFCF-LBDPXKHJSA-N 2 2 261.413 3.078 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000519615403 392874014 /nfs/dbraw/zinc/87/40/14/392874014.db2.gz ZWDINOXZXSOTIY-UKRRQHHQSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000519615403 392874024 /nfs/dbraw/zinc/87/40/24/392874024.db2.gz ZWDINOXZXSOTIY-UKRRQHHQSA-N 2 2 299.418 3.067 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948729 542722237 /nfs/dbraw/zinc/72/22/37/542722237.db2.gz CHHXEHOUUNPMPD-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948729 542722240 /nfs/dbraw/zinc/72/22/40/542722240.db2.gz CHHXEHOUUNPMPD-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948729 542722242 /nfs/dbraw/zinc/72/22/42/542722242.db2.gz CHHXEHOUUNPMPD-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2scnc2C2CC2)C[C@@H]1C ZINC000494948729 542722246 /nfs/dbraw/zinc/72/22/46/542722246.db2.gz CHHXEHOUUNPMPD-JSGCOSHPSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514086979 542733942 /nfs/dbraw/zinc/73/39/42/542733942.db2.gz DXWWTCKNRVOYNB-QZTJIDSGSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000195445600 392968443 /nfs/dbraw/zinc/96/84/43/392968443.db2.gz KXRNTCHPDHSLOQ-OCCSQVGLSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445600 392968447 /nfs/dbraw/zinc/96/84/47/392968447.db2.gz KXRNTCHPDHSLOQ-OCCSQVGLSA-N 2 2 278.827 3.363 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559914402 542757615 /nfs/dbraw/zinc/75/76/15/542757615.db2.gz HOUJLNVMLDHHHT-WCXIOVBPSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559914402 542757620 /nfs/dbraw/zinc/75/76/20/542757620.db2.gz HOUJLNVMLDHHHT-WCXIOVBPSA-N 2 2 276.399 3.302 20 0 CGADLP Cc1cnccc1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406077946 392969794 /nfs/dbraw/zinc/96/97/94/392969794.db2.gz VQMBOSBTIUIHRX-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406077946 392969801 /nfs/dbraw/zinc/96/98/01/392969801.db2.gz VQMBOSBTIUIHRX-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000340288765 392970147 /nfs/dbraw/zinc/97/01/47/392970147.db2.gz MKMIOZZUNBKREH-MCIONIFRSA-N 2 2 283.366 3.201 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000340288765 392970153 /nfs/dbraw/zinc/97/01/53/392970153.db2.gz MKMIOZZUNBKREH-MCIONIFRSA-N 2 2 283.366 3.201 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072524 392989559 /nfs/dbraw/zinc/98/95/59/392989559.db2.gz LBMSQNVLPUHMNN-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072524 392989568 /nfs/dbraw/zinc/98/95/68/392989568.db2.gz LBMSQNVLPUHMNN-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341761773 392992762 /nfs/dbraw/zinc/99/27/62/392992762.db2.gz SEDFBHWOGARSDV-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341761773 392992768 /nfs/dbraw/zinc/99/27/68/392992768.db2.gz SEDFBHWOGARSDV-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc12 ZINC000221144288 393006273 /nfs/dbraw/zinc/00/62/73/393006273.db2.gz JREZCZKMFAYDCZ-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc12 ZINC000221144288 393006280 /nfs/dbraw/zinc/00/62/80/393006280.db2.gz JREZCZKMFAYDCZ-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000648450034 393024270 /nfs/dbraw/zinc/02/42/70/393024270.db2.gz MSEISVLUJGROMY-MOPGFXCFSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000648450034 393024277 /nfs/dbraw/zinc/02/42/77/393024277.db2.gz MSEISVLUJGROMY-MOPGFXCFSA-N 2 2 284.447 3.008 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)C1CCCC1 ZINC000415043117 393108250 /nfs/dbraw/zinc/10/82/50/393108250.db2.gz AETBVDZFLUZQRN-ZDUSSCGKSA-N 2 2 293.411 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)CC1CCCCC1 ZINC000414989976 393082158 /nfs/dbraw/zinc/08/21/58/393082158.db2.gz NONDKGKKLHDACB-AAEUAGOBSA-N 2 2 262.388 3.165 20 0 CGADLP COc1ccc([C@H](C)C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000547285110 393103071 /nfs/dbraw/zinc/10/30/71/393103071.db2.gz OQVGXVAWMJNBQD-MRXNPFEDSA-N 2 2 288.435 3.040 20 0 CGADLP COc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000547285110 393103074 /nfs/dbraw/zinc/10/30/74/393103074.db2.gz OQVGXVAWMJNBQD-MRXNPFEDSA-N 2 2 288.435 3.040 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770503 393054925 /nfs/dbraw/zinc/05/49/25/393054925.db2.gz YDKXDFKIZKHELA-OLZOCXBDSA-N 2 2 292.389 3.414 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770503 393054934 /nfs/dbraw/zinc/05/49/34/393054934.db2.gz YDKXDFKIZKHELA-OLZOCXBDSA-N 2 2 292.389 3.414 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037118 393106637 /nfs/dbraw/zinc/10/66/37/393106637.db2.gz GFNYOXAYYQSADL-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037118 393106646 /nfs/dbraw/zinc/10/66/46/393106646.db2.gz GFNYOXAYYQSADL-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414950062 393058889 /nfs/dbraw/zinc/05/88/89/393058889.db2.gz HEAZPYKSFPITSS-PBHICJAKSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000414955894 393062548 /nfs/dbraw/zinc/06/25/48/393062548.db2.gz NVXDBMDGJYMZDH-KUHUBIRLSA-N 2 2 298.405 3.406 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1F ZINC000415044780 393110608 /nfs/dbraw/zinc/11/06/08/393110608.db2.gz BYERZNVSBKFEPA-KRWDZBQOSA-N 2 2 272.367 3.178 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(Br)c1 ZINC000415059512 393121950 /nfs/dbraw/zinc/12/19/50/393121950.db2.gz YHBAYSUGZFAQGK-ZDUSSCGKSA-N 2 2 299.256 3.221 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000415064583 393124242 /nfs/dbraw/zinc/12/42/42/393124242.db2.gz LCAOHBSSXFXOMF-GOSISDBHSA-N 2 2 297.446 3.105 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)ccc2c1 ZINC000415064610 393124529 /nfs/dbraw/zinc/12/45/29/393124529.db2.gz DAHYLGHPMYTFSM-KRWDZBQOSA-N 2 2 284.403 3.080 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1 ZINC000415063210 393124680 /nfs/dbraw/zinc/12/46/80/393124680.db2.gz HEBYFNBFGKTSHY-KRWDZBQOSA-N 2 2 272.367 3.178 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415071441 393128318 /nfs/dbraw/zinc/12/83/18/393128318.db2.gz TYKWCSPQNVXNIL-ZDUSSCGKSA-N 2 2 273.207 3.225 20 0 CGADLP FC(F)(F)c1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000415102858 393145598 /nfs/dbraw/zinc/14/55/98/393145598.db2.gz JFQAKQXNZZXUQH-AWEZNQCLSA-N 2 2 298.352 3.079 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000415107738 393146738 /nfs/dbraw/zinc/14/67/38/393146738.db2.gz LMLDWCRJJHRAIP-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000415107738 393146747 /nfs/dbraw/zinc/14/67/47/393146747.db2.gz LMLDWCRJJHRAIP-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1ccccc1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415112168 393149618 /nfs/dbraw/zinc/14/96/18/393149618.db2.gz AULTUFISETUPMK-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415112168 393149625 /nfs/dbraw/zinc/14/96/25/393149625.db2.gz AULTUFISETUPMK-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000269046894 393221798 /nfs/dbraw/zinc/22/17/98/393221798.db2.gz YRNDBGRGJAOWCG-UGFHNGPFSA-N 2 2 276.449 3.198 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000269046894 393221804 /nfs/dbraw/zinc/22/18/04/393221804.db2.gz YRNDBGRGJAOWCG-UGFHNGPFSA-N 2 2 276.449 3.198 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CSc2ccc(C)cc2)C1 ZINC000471600626 393287073 /nfs/dbraw/zinc/28/70/73/393287073.db2.gz CQTWWZOHCKYGLZ-YQQAZPJKSA-N 2 2 292.492 3.405 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CSc2ccc(C)cc2)C1 ZINC000471600626 393287077 /nfs/dbraw/zinc/28/70/77/393287077.db2.gz CQTWWZOHCKYGLZ-YQQAZPJKSA-N 2 2 292.492 3.405 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475338561 393394538 /nfs/dbraw/zinc/39/45/38/393394538.db2.gz ZHMUVAAMZGHVTO-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475338561 393394540 /nfs/dbraw/zinc/39/45/40/393394540.db2.gz ZHMUVAAMZGHVTO-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP CC[C@H]1C[N@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1[NH3+] ZINC000649416520 393416716 /nfs/dbraw/zinc/41/67/16/393416716.db2.gz CRENCCUHDNDODF-SWLSCSKDSA-N 2 2 293.480 3.360 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1[NH3+] ZINC000649416520 393416720 /nfs/dbraw/zinc/41/67/20/393416720.db2.gz CRENCCUHDNDODF-SWLSCSKDSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C2CC2)cc1 ZINC000419827330 393418917 /nfs/dbraw/zinc/41/89/17/393418917.db2.gz FEZJKJSGFZJZSH-ZDUSSCGKSA-N 2 2 298.434 3.214 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000420381681 393480499 /nfs/dbraw/zinc/48/04/99/393480499.db2.gz ZEKLBZRXYYNQOD-SUNKGSAMSA-N 2 2 286.341 3.182 20 0 CGADLP CCCOc1cccc2c(NC[C@@H]([NH3+])C3CC3)cc[nH+]c12 ZINC000420218830 393439225 /nfs/dbraw/zinc/43/92/25/393439225.db2.gz PAWXYLWDXNQDQY-CQSZACIVSA-N 2 2 285.391 3.173 20 0 CGADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H](C)[NH3+] ZINC000420293727 393452066 /nfs/dbraw/zinc/45/20/66/393452066.db2.gz AEWXWUKILBXSPT-RISCZKNCSA-N 2 2 254.805 3.316 20 0 CGADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000420293727 393452072 /nfs/dbraw/zinc/45/20/72/393452072.db2.gz AEWXWUKILBXSPT-RISCZKNCSA-N 2 2 254.805 3.316 20 0 CGADLP CCCOc1ccc(C[N@H+](CCC)C[C@H](C)[NH3+])cc1OC ZINC000420321785 393466175 /nfs/dbraw/zinc/46/61/75/393466175.db2.gz RTRNGZSEJRQRBA-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP CCCOc1ccc(C[N@@H+](CCC)C[C@H](C)[NH3+])cc1OC ZINC000420321785 393466182 /nfs/dbraw/zinc/46/61/82/393466182.db2.gz RTRNGZSEJRQRBA-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000420326284 393467220 /nfs/dbraw/zinc/46/72/20/393467220.db2.gz XCRCMFUGRPVSCN-SNVBAGLBSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000420326284 393467225 /nfs/dbraw/zinc/46/72/25/393467225.db2.gz XCRCMFUGRPVSCN-SNVBAGLBSA-N 2 2 272.314 3.017 20 0 CGADLP Cc1ccc(-c2cnc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)o2)cc1 ZINC000420360352 393475571 /nfs/dbraw/zinc/47/55/71/393475571.db2.gz LDBXSVNNGSVFSW-MRXNPFEDSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578019 393486841 /nfs/dbraw/zinc/48/68/41/393486841.db2.gz RJFXPIPFWJVUKD-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578019 393486844 /nfs/dbraw/zinc/48/68/44/393486844.db2.gz RJFXPIPFWJVUKD-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000649575454 393495314 /nfs/dbraw/zinc/49/53/14/393495314.db2.gz QARVEIDPZDCHAJ-CQSZACIVSA-N 2 2 266.816 3.259 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000649575454 393495319 /nfs/dbraw/zinc/49/53/19/393495319.db2.gz QARVEIDPZDCHAJ-CQSZACIVSA-N 2 2 266.816 3.259 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CS1 ZINC000488422337 393507317 /nfs/dbraw/zinc/50/73/17/393507317.db2.gz OYKGCLMCAWITQA-IAGOWNOFSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CS1 ZINC000488422337 393507320 /nfs/dbraw/zinc/50/73/20/393507320.db2.gz OYKGCLMCAWITQA-IAGOWNOFSA-N 2 2 292.492 3.238 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)c1cccc(OC)c1 ZINC000488439718 393513199 /nfs/dbraw/zinc/51/31/99/393513199.db2.gz OLGDOIPVRXFADO-UWWQBHOKSA-N 2 2 290.451 3.324 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)C)C1)[NH+](C)C ZINC000488443179 393514543 /nfs/dbraw/zinc/51/45/43/393514543.db2.gz BETPCYYTLJUJCE-RBSFLKMASA-N 2 2 272.502 3.082 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2C[C@@H]2C)c(C)c1 ZINC000488447550 393516538 /nfs/dbraw/zinc/51/65/38/393516538.db2.gz JSMGEOSBIKCURN-LESCRADOSA-N 2 2 283.419 3.487 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000488447237 393516583 /nfs/dbraw/zinc/51/65/83/393516583.db2.gz ZVYNGDNFMMISMY-NXHRZFHOSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000488447237 393516588 /nfs/dbraw/zinc/51/65/88/393516588.db2.gz ZVYNGDNFMMISMY-NXHRZFHOSA-N 2 2 272.436 3.287 20 0 CGADLP CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000657324343 542795077 /nfs/dbraw/zinc/79/50/77/542795077.db2.gz YYCINFRTEJIOKX-UHFFFAOYSA-N 2 2 287.407 3.160 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770374 542814105 /nfs/dbraw/zinc/81/41/05/542814105.db2.gz WYOHOSDTPOOSNK-OAHLLOKOSA-N 2 2 270.376 3.178 20 0 CGADLP c1ccc(OC2CCCC2)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666768503 542814232 /nfs/dbraw/zinc/81/42/32/542814232.db2.gz HSJNRFALYAXWAG-INIZCTEOSA-N 2 2 288.435 3.240 20 0 CGADLP c1c2ccccc2sc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768997 542814439 /nfs/dbraw/zinc/81/44/39/542814439.db2.gz PYJGXSFDSSZWMN-ZDUSSCGKSA-N 2 2 260.406 3.133 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c[nH]2)CCc2ccc(Cl)cc21 ZINC000649746986 393570768 /nfs/dbraw/zinc/57/07/68/393570768.db2.gz NZEWZDQTASFAIJ-LLVKDONJSA-N 2 2 275.783 3.225 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c[nH]2)CCc2ccc(Cl)cc21 ZINC000649746986 393570771 /nfs/dbraw/zinc/57/07/71/393570771.db2.gz NZEWZDQTASFAIJ-LLVKDONJSA-N 2 2 275.783 3.225 20 0 CGADLP Clc1scc(C[NH2+][C@H]2CCC[NH2+]CC2)c1Cl ZINC000666857689 542821380 /nfs/dbraw/zinc/82/13/80/542821380.db2.gz FJTUMLWBOWAIBU-VIFPVBQESA-N 2 2 279.236 3.287 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430576451 393578520 /nfs/dbraw/zinc/57/85/20/393578520.db2.gz XINSSHYOMCNKRS-CHWSQXEVSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430576451 393578530 /nfs/dbraw/zinc/57/85/30/393578530.db2.gz XINSSHYOMCNKRS-CHWSQXEVSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360762423 393583719 /nfs/dbraw/zinc/58/37/19/393583719.db2.gz GLAVDSSMKGBLFY-WBOJAVRRSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000360762423 393583728 /nfs/dbraw/zinc/58/37/28/393583728.db2.gz GLAVDSSMKGBLFY-WBOJAVRRSA-N 2 2 276.399 3.002 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000360985673 393629928 /nfs/dbraw/zinc/62/99/28/393629928.db2.gz IBOGMIHBGFDUTQ-SMDDNHRTSA-N 2 2 283.485 3.469 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751720 393642785 /nfs/dbraw/zinc/64/27/85/393642785.db2.gz ABXXVUQIFNBNQS-LKTVYLICSA-N 2 2 268.351 3.146 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908978 393646232 /nfs/dbraw/zinc/64/62/32/393646232.db2.gz DZXMFMJQOVWRCX-APYUEPQZSA-N 2 2 296.842 3.146 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000423147693 393651650 /nfs/dbraw/zinc/65/16/50/393651650.db2.gz SRFOFPVHAKTWDB-AFAVFJNCSA-N 2 2 276.399 3.323 20 0 CGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC[NH3+])CCC3)cc1 ZINC000423174099 393653964 /nfs/dbraw/zinc/65/39/64/393653964.db2.gz BHBPOQHKKZLTIJ-CYBMUJFWSA-N 2 2 287.432 3.044 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423257747 393656128 /nfs/dbraw/zinc/65/61/28/393656128.db2.gz AEACVEGLERIFID-CMPLNLGQSA-N 2 2 286.341 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000361061951 393661644 /nfs/dbraw/zinc/66/16/44/393661644.db2.gz VQKDFHOTQADXDB-LZLYRXPVSA-N 2 2 290.451 3.227 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000361061951 393661646 /nfs/dbraw/zinc/66/16/46/393661646.db2.gz VQKDFHOTQADXDB-LZLYRXPVSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000491016363 393662237 /nfs/dbraw/zinc/66/22/37/393662237.db2.gz BZYRDTGDXHYXGO-WQGACYEGSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000491016363 393662240 /nfs/dbraw/zinc/66/22/40/393662240.db2.gz BZYRDTGDXHYXGO-WQGACYEGSA-N 2 2 278.827 3.473 20 0 CGADLP CC(C)(C)OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063803 393663533 /nfs/dbraw/zinc/66/35/33/393663533.db2.gz VTFOYCQGDCOMMA-UHFFFAOYSA-N 2 2 293.455 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(C)o1 ZINC000423494524 393672231 /nfs/dbraw/zinc/67/22/31/393672231.db2.gz ASEGYYVYSQGSRU-XHDPSFHLSA-N 2 2 250.386 3.065 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@@H](C1CCCCC1)[NH+](C)C ZINC000424136671 393675904 /nfs/dbraw/zinc/67/59/04/393675904.db2.gz RDDVDHOIXOSCBX-KRWDZBQOSA-N 2 2 292.471 3.064 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000443093626 393744174 /nfs/dbraw/zinc/74/41/74/393744174.db2.gz NCDFOXKIHUQENS-ZIAGYGMSSA-N 2 2 275.421 3.390 20 0 CGADLP CC1(C)CC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000433179472 393694650 /nfs/dbraw/zinc/69/46/50/393694650.db2.gz YFGPVYKDGRDVKG-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000444016295 393783703 /nfs/dbraw/zinc/78/37/03/393783703.db2.gz DNNIGSRFZQBYQK-HNNXBMFYSA-N 2 2 250.430 3.054 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000444016295 393783708 /nfs/dbraw/zinc/78/37/08/393783708.db2.gz DNNIGSRFZQBYQK-HNNXBMFYSA-N 2 2 250.430 3.054 20 0 CGADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445451031 393795586 /nfs/dbraw/zinc/79/55/86/393795586.db2.gz ZQUCOEGYOFZYNC-LSDHHAIUSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445451031 393795590 /nfs/dbraw/zinc/79/55/90/393795590.db2.gz ZQUCOEGYOFZYNC-LSDHHAIUSA-N 2 2 263.429 3.109 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2Cl)CC1 ZINC000445816515 393827993 /nfs/dbraw/zinc/82/79/93/393827993.db2.gz WLQDVXPKCIROGC-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2Cl)CC1 ZINC000445816515 393827995 /nfs/dbraw/zinc/82/79/95/393827995.db2.gz WLQDVXPKCIROGC-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447602386 393865822 /nfs/dbraw/zinc/86/58/22/393865822.db2.gz SHQVWCATYKDGIK-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447602386 393865825 /nfs/dbraw/zinc/86/58/25/393865825.db2.gz SHQVWCATYKDGIK-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502919174 393888038 /nfs/dbraw/zinc/88/80/38/393888038.db2.gz LSWBEKSDWURMFP-SJLPKXTDSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502919174 393888041 /nfs/dbraw/zinc/88/80/41/393888041.db2.gz LSWBEKSDWURMFP-SJLPKXTDSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502919174 393888044 /nfs/dbraw/zinc/88/80/44/393888044.db2.gz LSWBEKSDWURMFP-SJLPKXTDSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502919174 393888047 /nfs/dbraw/zinc/88/80/47/393888047.db2.gz LSWBEKSDWURMFP-SJLPKXTDSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449545239 393893626 /nfs/dbraw/zinc/89/36/26/393893626.db2.gz YHKZCULVEGNFIQ-MSOLQXFVSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449545239 393893629 /nfs/dbraw/zinc/89/36/29/393893629.db2.gz YHKZCULVEGNFIQ-MSOLQXFVSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449545240 393894197 /nfs/dbraw/zinc/89/41/97/393894197.db2.gz YHKZCULVEGNFIQ-QZTJIDSGSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449545240 393894199 /nfs/dbraw/zinc/89/41/99/393894199.db2.gz YHKZCULVEGNFIQ-QZTJIDSGSA-N 2 2 270.420 3.443 20 0 CGADLP Clc1cscc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968913 542830508 /nfs/dbraw/zinc/83/05/08/542830508.db2.gz IOYYJCIBTSJEJL-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968913 542830512 /nfs/dbraw/zinc/83/05/12/542830512.db2.gz IOYYJCIBTSJEJL-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453071900 394161365 /nfs/dbraw/zinc/16/13/65/394161365.db2.gz MTKFVPYNMQTPTL-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000667493515 542876389 /nfs/dbraw/zinc/87/63/89/542876389.db2.gz UWSTXSAFBNQRKX-INIZCTEOSA-N 2 2 281.403 3.036 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000667493515 542876391 /nfs/dbraw/zinc/87/63/91/542876391.db2.gz UWSTXSAFBNQRKX-INIZCTEOSA-N 2 2 281.403 3.036 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145136 394187080 /nfs/dbraw/zinc/18/70/80/394187080.db2.gz RNNFTPGCBCEWDX-AUUYWEPGSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145136 394187082 /nfs/dbraw/zinc/18/70/82/394187082.db2.gz RNNFTPGCBCEWDX-AUUYWEPGSA-N 2 2 284.447 3.006 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)n1C ZINC000667499857 542878786 /nfs/dbraw/zinc/87/87/86/542878786.db2.gz WPMYQXQMFVJHII-CYBMUJFWSA-N 2 2 257.381 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)n1C ZINC000667499857 542878788 /nfs/dbraw/zinc/87/87/88/542878788.db2.gz WPMYQXQMFVJHII-CYBMUJFWSA-N 2 2 257.381 3.230 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000667517292 542883210 /nfs/dbraw/zinc/88/32/10/542883210.db2.gz YLIBFKJQFOVIKU-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667503575 542880675 /nfs/dbraw/zinc/88/06/75/542880675.db2.gz PUTKVNWBUJUYHX-KRWDZBQOSA-N 2 2 281.403 3.475 20 0 CGADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658281 542908423 /nfs/dbraw/zinc/90/84/23/542908423.db2.gz CEXPZMFLGQEBRW-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658281 542908425 /nfs/dbraw/zinc/90/84/25/542908425.db2.gz CEXPZMFLGQEBRW-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969122 542951904 /nfs/dbraw/zinc/95/19/04/542951904.db2.gz DNILQVHKDZJQAH-ACJLOTCBSA-N 2 2 299.418 3.320 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969122 542951909 /nfs/dbraw/zinc/95/19/09/542951909.db2.gz DNILQVHKDZJQAH-ACJLOTCBSA-N 2 2 299.418 3.320 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)n1C ZINC000668079652 542966650 /nfs/dbraw/zinc/96/66/50/542966650.db2.gz NDHMTIQHBMLZJV-YOEHRIQHSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)n1C ZINC000668079652 542966652 /nfs/dbraw/zinc/96/66/52/542966652.db2.gz NDHMTIQHBMLZJV-YOEHRIQHSA-N 2 2 283.419 3.415 20 0 CGADLP C/C(=C/c1ccccc1)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668062084 542964367 /nfs/dbraw/zinc/96/43/67/542964367.db2.gz YUPYJLLYIIGQCE-UVTDQMKNSA-N 2 2 269.392 3.264 20 0 CGADLP C/C(=C/c1ccccc1)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668062084 542964371 /nfs/dbraw/zinc/96/43/71/542964371.db2.gz YUPYJLLYIIGQCE-UVTDQMKNSA-N 2 2 269.392 3.264 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668062083 542964663 /nfs/dbraw/zinc/96/46/63/542964663.db2.gz YUPYJLLYIIGQCE-GXDHUFHOSA-N 2 2 269.392 3.264 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668062083 542964665 /nfs/dbraw/zinc/96/46/65/542964665.db2.gz YUPYJLLYIIGQCE-GXDHUFHOSA-N 2 2 269.392 3.264 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)oc1C ZINC000548794436 289023470 /nfs/dbraw/zinc/02/34/70/289023470.db2.gz CPDXPMSHIGZONH-ZDUSSCGKSA-N 2 2 261.369 3.224 20 0 CGADLP CCCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000668171909 542980904 /nfs/dbraw/zinc/98/09/04/542980904.db2.gz YGHXRPZVYCRJFC-HNNXBMFYSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174080 542981164 /nfs/dbraw/zinc/98/11/64/542981164.db2.gz CNOLQODSYWFFSL-ZIAGYGMSSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174080 542981166 /nfs/dbraw/zinc/98/11/66/542981166.db2.gz CNOLQODSYWFFSL-ZIAGYGMSSA-N 2 2 275.440 3.476 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000668241166 542997397 /nfs/dbraw/zinc/99/73/97/542997397.db2.gz CXGMUISPPBOGIK-LSDHHAIUSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000668241166 542997400 /nfs/dbraw/zinc/99/74/00/542997400.db2.gz CXGMUISPPBOGIK-LSDHHAIUSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)n1C ZINC000668298663 543003135 /nfs/dbraw/zinc/00/31/35/543003135.db2.gz GOADUDMFALUGHD-HNNXBMFYSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CC2CCCC2)n1C ZINC000668298663 543003139 /nfs/dbraw/zinc/00/31/39/543003139.db2.gz GOADUDMFALUGHD-HNNXBMFYSA-N 2 2 261.413 3.273 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458739 543014867 /nfs/dbraw/zinc/01/48/67/543014867.db2.gz HXAZLDNXXKEEHN-WBVHZDCISA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458739 543014870 /nfs/dbraw/zinc/01/48/70/543014870.db2.gz HXAZLDNXXKEEHN-WBVHZDCISA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539380 543024527 /nfs/dbraw/zinc/02/45/27/543024527.db2.gz UJUNTEFNTLIRJB-SFHVURJKSA-N 2 2 274.452 3.310 20 0 CGADLP CC(C)C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539380 543024528 /nfs/dbraw/zinc/02/45/28/543024528.db2.gz UJUNTEFNTLIRJB-SFHVURJKSA-N 2 2 274.452 3.310 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668616452 543036276 /nfs/dbraw/zinc/03/62/76/543036276.db2.gz NAFWHNKJOMIEIO-HZPDHXFCSA-N 2 2 250.430 3.195 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c[nH+]1 ZINC000668718225 543050106 /nfs/dbraw/zinc/05/01/06/543050106.db2.gz ITZMPJXONWQXJA-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](Oc3ccccc3)C2)c[nH+]1 ZINC000668718225 543050108 /nfs/dbraw/zinc/05/01/08/543050108.db2.gz ITZMPJXONWQXJA-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](C3CCC3)C2)[nH+]1 ZINC000668717559 543050786 /nfs/dbraw/zinc/05/07/86/543050786.db2.gz DIMGDUUMHDDOIY-OAHLLOKOSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H](C3CCC3)C2)[nH+]1 ZINC000668717559 543050789 /nfs/dbraw/zinc/05/07/89/543050789.db2.gz DIMGDUUMHDDOIY-OAHLLOKOSA-N 2 2 269.392 3.346 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000671304309 543168232 /nfs/dbraw/zinc/16/82/32/543168232.db2.gz ALSJAESTGSKIQZ-ZVZYQTTQSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[NH+]1CCC2(CCC2)CC1 ZINC000671728039 543181665 /nfs/dbraw/zinc/18/16/65/543181665.db2.gz GCWUIPNFVWIKIW-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP FC1(F)CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000673618013 543247574 /nfs/dbraw/zinc/24/75/74/543247574.db2.gz OUOSEUWIYKYPJP-GFCCVEGCSA-N 2 2 283.347 3.211 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048615 543265071 /nfs/dbraw/zinc/26/50/71/543265071.db2.gz YJYYUULXONVAGS-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048615 543265074 /nfs/dbraw/zinc/26/50/74/543265074.db2.gz YJYYUULXONVAGS-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCC2)CO1 ZINC000649823785 397729904 /nfs/dbraw/zinc/72/99/04/397729904.db2.gz NOTQPQXDPNTPQJ-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CCC2)CO1 ZINC000649823785 397729906 /nfs/dbraw/zinc/72/99/06/397729906.db2.gz NOTQPQXDPNTPQJ-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544616 397685346 /nfs/dbraw/zinc/68/53/46/397685346.db2.gz BLJZZYLIFHROKJ-MPXGXIRNSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544616 397685348 /nfs/dbraw/zinc/68/53/48/397685348.db2.gz BLJZZYLIFHROKJ-MPXGXIRNSA-N 2 2 292.373 3.054 20 0 CGADLP Cc1ccc(CCCNc2cc3c(c[nH+]2)CCCC3)c[nH+]1 ZINC000361254531 397687742 /nfs/dbraw/zinc/68/77/42/397687742.db2.gz ZFMMZTBXZZGFEY-UHFFFAOYSA-N 2 2 281.403 3.130 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000649886073 397743351 /nfs/dbraw/zinc/74/33/51/397743351.db2.gz LKPYOWWNQTUGKQ-UHFFFAOYSA-N 2 2 295.308 3.181 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675767399 543362050 /nfs/dbraw/zinc/36/20/50/543362050.db2.gz TZSZYFAHLDJCDK-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675767399 543362051 /nfs/dbraw/zinc/36/20/51/543362051.db2.gz TZSZYFAHLDJCDK-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1F ZINC000675766260 543362515 /nfs/dbraw/zinc/36/25/15/543362515.db2.gz ITEHVUQNEYOIBH-YPMHNXCESA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1F ZINC000675766260 543362517 /nfs/dbraw/zinc/36/25/17/543362517.db2.gz ITEHVUQNEYOIBH-YPMHNXCESA-N 2 2 282.428 3.292 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675832805 543368005 /nfs/dbraw/zinc/36/80/05/543368005.db2.gz AJWSFISAGRIIEV-CWRNSKLLSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832805 543368006 /nfs/dbraw/zinc/36/80/06/543368006.db2.gz AJWSFISAGRIIEV-CWRNSKLLSA-N 2 2 252.446 3.275 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675834710 543368478 /nfs/dbraw/zinc/36/84/78/543368478.db2.gz YPFYLESXCFTHNV-KBXCAEBGSA-N 2 2 272.436 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675834710 543368480 /nfs/dbraw/zinc/36/84/80/543368480.db2.gz YPFYLESXCFTHNV-KBXCAEBGSA-N 2 2 272.436 3.384 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000675833237 543368808 /nfs/dbraw/zinc/36/88/08/543368808.db2.gz HZTXUMKEYNHIFB-YJBOKZPZSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000675833237 543368809 /nfs/dbraw/zinc/36/88/09/543368809.db2.gz HZTXUMKEYNHIFB-YJBOKZPZSA-N 2 2 272.436 3.438 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675926170 543374800 /nfs/dbraw/zinc/37/48/00/543374800.db2.gz LULDHVGIDRZXNH-ZBFHGGJFSA-N 2 2 271.408 3.354 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000434775283 292169157 /nfs/dbraw/zinc/16/91/57/292169157.db2.gz JQTHLSVTCJGWNP-GDBMZVCRSA-N 2 2 296.499 3.290 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000677806227 543466897 /nfs/dbraw/zinc/46/68/97/543466897.db2.gz YAVUVFRJSFOFGT-MRXNPFEDSA-N 2 2 278.827 3.403 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000677983902 543475113 /nfs/dbraw/zinc/47/51/13/543475113.db2.gz PODKXTYYOSYDKI-KRWDZBQOSA-N 2 2 299.418 3.427 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000677983902 543475116 /nfs/dbraw/zinc/47/51/16/543475116.db2.gz PODKXTYYOSYDKI-KRWDZBQOSA-N 2 2 299.418 3.427 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235149 543498289 /nfs/dbraw/zinc/49/82/89/543498289.db2.gz OXWNEUCLZKPLBI-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235149 543498291 /nfs/dbraw/zinc/49/82/91/543498291.db2.gz OXWNEUCLZKPLBI-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)n1 ZINC000678410567 543520870 /nfs/dbraw/zinc/52/08/70/543520870.db2.gz BVKFVIIRFQNXIV-CQSZACIVSA-N 2 2 298.434 3.125 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCCNc3ccccc32)[nH+]c1 ZINC000192937389 296615395 /nfs/dbraw/zinc/61/53/95/296615395.db2.gz UTCHIAQAMKRRIQ-KRWDZBQOSA-N 2 2 296.418 3.420 20 0 CGADLP CC[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000678592851 543539321 /nfs/dbraw/zinc/53/93/21/543539321.db2.gz XMTSCPMEYKGLCN-AWEZNQCLSA-N 2 2 271.408 3.284 20 0 CGADLP CC(C)C([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000678599458 543541023 /nfs/dbraw/zinc/54/10/23/543541023.db2.gz DVJMBTFRWPPDEV-UHFFFAOYSA-N 2 2 289.467 3.316 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678769896 543555556 /nfs/dbraw/zinc/55/55/56/543555556.db2.gz BIPMMQHMBZAQEM-FUHWJXTLSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678769896 543555558 /nfs/dbraw/zinc/55/55/58/543555558.db2.gz BIPMMQHMBZAQEM-FUHWJXTLSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685993 543549737 /nfs/dbraw/zinc/54/97/37/543549737.db2.gz MVKOJXWECPEZGY-QZTJIDSGSA-N 2 2 288.410 3.351 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685993 543549740 /nfs/dbraw/zinc/54/97/40/543549740.db2.gz MVKOJXWECPEZGY-QZTJIDSGSA-N 2 2 288.410 3.351 20 0 CGADLP CCC[C@H](CC)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000678927434 543572567 /nfs/dbraw/zinc/57/25/67/543572567.db2.gz SXAZUJYIHNTSLT-AWEZNQCLSA-N 2 2 259.397 3.354 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000554096538 289258451 /nfs/dbraw/zinc/25/84/51/289258451.db2.gz MKHXAMGGYNRWGP-XIRDDKMYSA-N 2 2 260.425 3.037 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554376558 289278641 /nfs/dbraw/zinc/27/86/41/289278641.db2.gz BFGFNXHYGKQCLQ-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C12CCCCC2 ZINC000087295215 286278596 /nfs/dbraw/zinc/27/85/96/286278596.db2.gz LJSZLSFUAMWRNS-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368101792 292261134 /nfs/dbraw/zinc/26/11/34/292261134.db2.gz LMWLUVDPGUROGR-YJBOKZPZSA-N 2 2 281.403 3.316 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368101792 292261135 /nfs/dbraw/zinc/26/11/35/292261135.db2.gz LMWLUVDPGUROGR-YJBOKZPZSA-N 2 2 281.403 3.316 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423559805 286386635 /nfs/dbraw/zinc/38/66/35/286386635.db2.gz PEWDSJMBNZSYRU-GUYCJALGSA-N 2 2 288.435 3.149 20 0 CGADLP CCC[C@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000560069812 289568900 /nfs/dbraw/zinc/56/89/00/289568900.db2.gz GNCLLLBOQQRBTB-WMLDXEAASA-N 2 2 278.440 3.324 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491050562 287037815 /nfs/dbraw/zinc/03/78/15/287037815.db2.gz HXSYMJTVIYAZFY-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491050562 287037817 /nfs/dbraw/zinc/03/78/17/287037817.db2.gz HXSYMJTVIYAZFY-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000462747756 287060529 /nfs/dbraw/zinc/06/05/29/287060529.db2.gz FMYVHKMLPGXIFE-OAGGEKHMSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C1 ZINC000462747756 287060530 /nfs/dbraw/zinc/06/05/30/287060530.db2.gz FMYVHKMLPGXIFE-OAGGEKHMSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000088669540 287087417 /nfs/dbraw/zinc/08/74/17/287087417.db2.gz QRIGSWZRBJNIMI-RDJZCZTQSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000088669540 287087421 /nfs/dbraw/zinc/08/74/21/287087421.db2.gz QRIGSWZRBJNIMI-RDJZCZTQSA-N 2 2 284.403 3.247 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759180 287085898 /nfs/dbraw/zinc/08/58/98/287085898.db2.gz ZWJVUSPIWUUBLY-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759180 287085901 /nfs/dbraw/zinc/08/59/01/287085901.db2.gz ZWJVUSPIWUUBLY-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070101649 165053883 /nfs/dbraw/zinc/05/38/83/165053883.db2.gz TZBVSMWJELKEFZ-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070101649 165053886 /nfs/dbraw/zinc/05/38/86/165053886.db2.gz TZBVSMWJELKEFZ-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000080258819 165152156 /nfs/dbraw/zinc/15/21/56/165152156.db2.gz VMWVKTNXJSIPSB-CYBMUJFWSA-N 2 2 267.442 3.057 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959954 165278555 /nfs/dbraw/zinc/27/85/55/165278555.db2.gz SEICCHWUWKPWDA-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959954 165278556 /nfs/dbraw/zinc/27/85/56/165278556.db2.gz SEICCHWUWKPWDA-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000092165884 287110593 /nfs/dbraw/zinc/11/05/93/287110593.db2.gz QTVFSPDWTSMVFX-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000092165884 287110594 /nfs/dbraw/zinc/11/05/94/287110594.db2.gz QTVFSPDWTSMVFX-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000094827349 287122764 /nfs/dbraw/zinc/12/27/64/287122764.db2.gz LBBHKRNMOMREGD-LBPRGKRZSA-N 2 2 279.334 3.292 20 0 CGADLP Cc1cnc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)s1 ZINC000119095425 287164875 /nfs/dbraw/zinc/16/48/75/287164875.db2.gz LYFJJBFNTDNYKW-OAHLLOKOSA-N 2 2 293.480 3.368 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000122297253 287208460 /nfs/dbraw/zinc/20/84/60/287208460.db2.gz BPNAZFQZQZFAJP-SMDDNHRTSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000122297253 287208463 /nfs/dbraw/zinc/20/84/63/287208463.db2.gz BPNAZFQZQZFAJP-SMDDNHRTSA-N 2 2 298.352 3.420 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000122973734 287214618 /nfs/dbraw/zinc/21/46/18/287214618.db2.gz BLJDGQDNLQAUBI-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572707 287234779 /nfs/dbraw/zinc/23/47/79/287234779.db2.gz BPENKOXEEQLASV-JOYOIKCWSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572707 287234781 /nfs/dbraw/zinc/23/47/81/287234781.db2.gz BPENKOXEEQLASV-JOYOIKCWSA-N 2 2 273.207 3.305 20 0 CGADLP c1cn(CCC[N@@H+]2CCC=C(c3ccccc3)C2)c[nH+]1 ZINC000284743207 196122268 /nfs/dbraw/zinc/12/22/68/196122268.db2.gz KYTCDQFBSUFXHS-UHFFFAOYSA-N 2 2 267.376 3.063 20 0 CGADLP c1cn(CCC[N@H+]2CCC=C(c3ccccc3)C2)c[nH+]1 ZINC000284743207 196122270 /nfs/dbraw/zinc/12/22/70/196122270.db2.gz KYTCDQFBSUFXHS-UHFFFAOYSA-N 2 2 267.376 3.063 20 0 CGADLP C[C@@H]([NH2+]CC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000022145343 171356378 /nfs/dbraw/zinc/35/63/78/171356378.db2.gz QWWLCLMKMSSYTH-MRXNPFEDSA-N 2 2 282.431 3.358 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000034994709 171923244 /nfs/dbraw/zinc/92/32/44/171923244.db2.gz SXKTVWLOVVVZSP-ARFHVFGLSA-N 2 2 261.413 3.222 20 0 CGADLP c1coc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000035661441 172339891 /nfs/dbraw/zinc/33/98/91/172339891.db2.gz LVLJIDYBGZPCOF-QGZVFWFLSA-N 2 2 284.403 3.076 20 0 CGADLP c1coc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000035661441 172339892 /nfs/dbraw/zinc/33/98/92/172339892.db2.gz LVLJIDYBGZPCOF-QGZVFWFLSA-N 2 2 284.403 3.076 20 0 CGADLP FC(F)(F)Sc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086886 174097370 /nfs/dbraw/zinc/09/73/70/174097370.db2.gz MKBCUWFHPDCMLD-UHFFFAOYSA-N 2 2 290.354 3.094 20 0 CGADLP FC(F)(F)Sc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086886 174097374 /nfs/dbraw/zinc/09/73/74/174097374.db2.gz MKBCUWFHPDCMLD-UHFFFAOYSA-N 2 2 290.354 3.094 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000038093558 174107592 /nfs/dbraw/zinc/10/75/92/174107592.db2.gz QAKSECWDLQBMSY-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000038093558 174107593 /nfs/dbraw/zinc/10/75/93/174107593.db2.gz QAKSECWDLQBMSY-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040591769 174347452 /nfs/dbraw/zinc/34/74/52/174347452.db2.gz GFYRUSVTKUTQAW-GFCCVEGCSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040591769 174347454 /nfs/dbraw/zinc/34/74/54/174347454.db2.gz GFYRUSVTKUTQAW-GFCCVEGCSA-N 2 2 287.234 3.425 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000128209891 287305766 /nfs/dbraw/zinc/30/57/66/287305766.db2.gz DBMVBFKXCIYCFV-KRWDZBQOSA-N 2 2 292.386 3.035 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@@H+]1C1CC1 ZINC000128874173 287320204 /nfs/dbraw/zinc/32/02/04/287320204.db2.gz FOBLLZSWFPNYEU-WTIISPKJSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@H+]1C1CC1 ZINC000128874173 287320206 /nfs/dbraw/zinc/32/02/06/287320206.db2.gz FOBLLZSWFPNYEU-WTIISPKJSA-N 2 2 290.373 3.322 20 0 CGADLP C[NH+](C)C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129236282 287327334 /nfs/dbraw/zinc/32/73/34/287327334.db2.gz IXLRGWPSBKDGNV-CVEARBPZSA-N 2 2 260.425 3.458 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000049866627 416476039 /nfs/dbraw/zinc/47/60/39/416476039.db2.gz FBFJGKFUCGEAQI-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H](F)C1)[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219366 543601405 /nfs/dbraw/zinc/60/14/05/543601405.db2.gz CPUGOQRWQRMRAX-CWVYHPPDSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H](F)C1)[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219366 543601407 /nfs/dbraw/zinc/60/14/07/543601407.db2.gz CPUGOQRWQRMRAX-CWVYHPPDSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H](F)C1)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219366 543601409 /nfs/dbraw/zinc/60/14/09/543601409.db2.gz CPUGOQRWQRMRAX-CWVYHPPDSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H](F)C1)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219366 543601411 /nfs/dbraw/zinc/60/14/11/543601411.db2.gz CPUGOQRWQRMRAX-CWVYHPPDSA-N 2 2 288.426 3.125 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334794416 225324308 /nfs/dbraw/zinc/32/43/08/225324308.db2.gz XZKUAIQYVJJLDG-CYBMUJFWSA-N 2 2 283.366 3.415 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(F)c1 ZINC000130663438 287360727 /nfs/dbraw/zinc/36/07/27/287360727.db2.gz PQKKNPVRJXSZEH-CYBMUJFWSA-N 2 2 283.350 3.367 20 0 CGADLP C[NH+](C)C1(C[NH2+]CC(C)(C)c2ccccc2)CCC1 ZINC000682087808 543825487 /nfs/dbraw/zinc/82/54/87/543825487.db2.gz IAZFBSOHNFHVCJ-UHFFFAOYSA-N 2 2 260.425 3.038 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143440 543829596 /nfs/dbraw/zinc/82/95/96/543829596.db2.gz HOIPKFYZSPYDBK-CYBMUJFWSA-N 2 2 266.454 3.143 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436020 543846311 /nfs/dbraw/zinc/84/63/11/543846311.db2.gz MBKJKRRPZSWWGF-ZMSDIMECSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436020 543846313 /nfs/dbraw/zinc/84/63/13/543846313.db2.gz MBKJKRRPZSWWGF-ZMSDIMECSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000684560851 544013185 /nfs/dbraw/zinc/01/31/85/544013185.db2.gz QJQHVXBYOROGLG-XGNXJENSSA-N 2 2 279.453 3.119 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684358348 543984802 /nfs/dbraw/zinc/98/48/02/543984802.db2.gz LNFWAHOLNIJIEQ-HNNXBMFYSA-N 2 2 287.382 3.422 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684358348 543984805 /nfs/dbraw/zinc/98/48/05/543984805.db2.gz LNFWAHOLNIJIEQ-HNNXBMFYSA-N 2 2 287.382 3.422 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471120 544078743 /nfs/dbraw/zinc/07/87/43/544078743.db2.gz NITKUCKSWJFHLM-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471120 544078747 /nfs/dbraw/zinc/07/87/47/544078747.db2.gz NITKUCKSWJFHLM-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cscc2Cl)C1 ZINC000685471120 544078751 /nfs/dbraw/zinc/07/87/51/544078751.db2.gz NITKUCKSWJFHLM-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cscc2Cl)C1 ZINC000685471120 544078753 /nfs/dbraw/zinc/07/87/53/544078753.db2.gz NITKUCKSWJFHLM-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000685007173 544051577 /nfs/dbraw/zinc/05/15/77/544051577.db2.gz USGPTSRMAOSGAJ-GOSISDBHSA-N 2 2 293.414 3.200 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658328279 418937346 /nfs/dbraw/zinc/93/73/46/418937346.db2.gz ADAZOBVMLPZBQN-ZBFHGGJFSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216478 418937455 /nfs/dbraw/zinc/93/74/55/418937455.db2.gz WSPHOHPWSNDTBN-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216478 418937458 /nfs/dbraw/zinc/93/74/58/418937458.db2.gz WSPHOHPWSNDTBN-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)[nH+]c1 ZINC000660149347 419088892 /nfs/dbraw/zinc/08/88/92/419088892.db2.gz WXRKWEHYZUTLOX-QDMKHBRRSA-N 2 2 271.408 3.004 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241763 419089138 /nfs/dbraw/zinc/08/91/38/419089138.db2.gz YLMWDFHQVPIHJM-DAXOMENPSA-N 2 2 264.388 3.253 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241762 419089249 /nfs/dbraw/zinc/08/92/49/419089249.db2.gz YLMWDFHQVPIHJM-APHBMKBZSA-N 2 2 264.388 3.253 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655772899 419093044 /nfs/dbraw/zinc/09/30/44/419093044.db2.gz NJQUPVAVHKPNHW-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000665254140 419094399 /nfs/dbraw/zinc/09/43/99/419094399.db2.gz IPLMWVPCBNBVHU-MORSLUCNSA-N 2 2 299.393 3.017 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277859 419099658 /nfs/dbraw/zinc/09/96/58/419099658.db2.gz NQIRQKNYTZDHHF-OPGSHWCFSA-N 2 2 294.826 3.141 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278791 419101210 /nfs/dbraw/zinc/10/12/10/419101210.db2.gz OWGZEVXHQIIHAU-AJQRCPHMSA-N 2 2 276.811 3.059 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1OC ZINC000665294192 419107686 /nfs/dbraw/zinc/10/76/86/419107686.db2.gz JXPNWZHNVQLNTJ-UONOGXRCSA-N 2 2 294.439 3.133 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1OC ZINC000665294193 419107800 /nfs/dbraw/zinc/10/78/00/419107800.db2.gz JXPNWZHNVQLNTJ-ZIAGYGMSSA-N 2 2 294.439 3.133 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294132 419108008 /nfs/dbraw/zinc/10/80/08/419108008.db2.gz IUNUHVVKFKMAJY-FZMZJTMJSA-N 2 2 254.805 3.379 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000665296499 419108746 /nfs/dbraw/zinc/10/87/46/419108746.db2.gz TZBGTKJGLUBNKY-XHDPSFHLSA-N 2 2 266.816 3.305 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000665298123 419110474 /nfs/dbraw/zinc/11/04/74/419110474.db2.gz SCOQTTHHKVNFNQ-KXBFYZLASA-N 2 2 298.430 3.177 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000665298478 419111150 /nfs/dbraw/zinc/11/11/50/419111150.db2.gz WVSDACIFQUXVLZ-KBXCAEBGSA-N 2 2 286.394 3.307 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C ZINC000655858243 419125029 /nfs/dbraw/zinc/12/50/29/419125029.db2.gz XFFBGTUXDJZKPF-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C ZINC000655858243 419125032 /nfs/dbraw/zinc/12/50/32/419125032.db2.gz XFFBGTUXDJZKPF-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000655848324 419117820 /nfs/dbraw/zinc/11/78/20/419117820.db2.gz DRPPEACFINKNCU-IMJJTQAJSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000655848324 419117823 /nfs/dbraw/zinc/11/78/23/419117823.db2.gz DRPPEACFINKNCU-IMJJTQAJSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000655848220 419119099 /nfs/dbraw/zinc/11/90/99/419119099.db2.gz HMPHBAMXUPPVAK-JQFCIGGWSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000655848220 419119101 /nfs/dbraw/zinc/11/91/01/419119101.db2.gz HMPHBAMXUPPVAK-JQFCIGGWSA-N 2 2 276.399 3.493 20 0 CGADLP C1CC[N@@H+]2CCC[C@H]([NH2+]C3CCCCCC3)[C@H]2C1 ZINC000655847888 419119209 /nfs/dbraw/zinc/11/92/09/419119209.db2.gz DZUPNHOKVJJCCO-JKSUJKDBSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC[N@H+]2CCC[C@H]([NH2+]C3CCCCCC3)[C@H]2C1 ZINC000655847888 419119214 /nfs/dbraw/zinc/11/92/14/419119214.db2.gz DZUPNHOKVJJCCO-JKSUJKDBSA-N 2 2 250.430 3.316 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849534 419120872 /nfs/dbraw/zinc/12/08/72/419120872.db2.gz WQHPQKHYWIHXPX-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849534 419120873 /nfs/dbraw/zinc/12/08/73/419120873.db2.gz WQHPQKHYWIHXPX-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)[C@H]1CCCCO1 ZINC000655855667 419123164 /nfs/dbraw/zinc/12/31/64/419123164.db2.gz GGDWIXVCSFTGQJ-HZPDHXFCSA-N 2 2 287.407 3.080 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](OC)C1CCCCC1 ZINC000659995117 419056216 /nfs/dbraw/zinc/05/62/16/419056216.db2.gz RMHFURWEMSGXTQ-SQNIBIBYSA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](OC)C1CCCCC1 ZINC000659995117 419056219 /nfs/dbraw/zinc/05/62/19/419056219.db2.gz RMHFURWEMSGXTQ-SQNIBIBYSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](OC)C1CCCCC1 ZINC000659995117 419056221 /nfs/dbraw/zinc/05/62/21/419056221.db2.gz RMHFURWEMSGXTQ-SQNIBIBYSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](OC)C1CCCCC1 ZINC000659995117 419056225 /nfs/dbraw/zinc/05/62/25/419056225.db2.gz RMHFURWEMSGXTQ-SQNIBIBYSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655708892 419072732 /nfs/dbraw/zinc/07/27/32/419072732.db2.gz OXUFMSBQLFXEBR-BPQIPLTHSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000660110957 419077817 /nfs/dbraw/zinc/07/78/17/419077817.db2.gz MFWJKCDPGHHEEJ-MJBXVCDLSA-N 2 2 285.382 3.447 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000660110957 419077819 /nfs/dbraw/zinc/07/78/19/419077819.db2.gz MFWJKCDPGHHEEJ-MJBXVCDLSA-N 2 2 285.382 3.447 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201356 419150206 /nfs/dbraw/zinc/15/02/06/419150206.db2.gz WHEKYHNKEOTOJA-SJORKVTESA-N 2 2 282.387 3.238 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000656275215 419163817 /nfs/dbraw/zinc/16/38/17/419163817.db2.gz UXIWWJLEKPXBDG-INIZCTEOSA-N 2 2 278.440 3.363 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654497 419177757 /nfs/dbraw/zinc/17/77/57/419177757.db2.gz GSSIRKBBLTXBBI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654497 419177760 /nfs/dbraw/zinc/17/77/60/419177760.db2.gz GSSIRKBBLTXBBI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654497 419177761 /nfs/dbraw/zinc/17/77/61/419177761.db2.gz GSSIRKBBLTXBBI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654497 419177765 /nfs/dbraw/zinc/17/77/65/419177765.db2.gz GSSIRKBBLTXBBI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657332756 419253027 /nfs/dbraw/zinc/25/30/27/419253027.db2.gz OXJPXYBSFAYSAR-ZDUSSCGKSA-N 2 2 261.413 3.135 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657341481 419255167 /nfs/dbraw/zinc/25/51/67/419255167.db2.gz BXBKHFUTVMFJFI-OAHLLOKOSA-N 2 2 261.413 3.278 20 0 CGADLP c1coc([C@H]2[N@H+](CCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661437820 419260718 /nfs/dbraw/zinc/26/07/18/419260718.db2.gz PKAZFMDQXIEGQA-OAHLLOKOSA-N 2 2 271.364 3.093 20 0 CGADLP c1coc([C@H]2[N@@H+](CCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661437820 419260719 /nfs/dbraw/zinc/26/07/19/419260719.db2.gz PKAZFMDQXIEGQA-OAHLLOKOSA-N 2 2 271.364 3.093 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657363465 419260957 /nfs/dbraw/zinc/26/09/57/419260957.db2.gz OUQWILHPFHETKA-KGLIPLIRSA-N 2 2 261.413 3.135 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1C(F)(F)F ZINC000656785869 419219763 /nfs/dbraw/zinc/21/97/63/419219763.db2.gz RXEGNKBMLXPHET-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1C(F)(F)F ZINC000656785869 419219764 /nfs/dbraw/zinc/21/97/64/419219764.db2.gz RXEGNKBMLXPHET-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644910 419318592 /nfs/dbraw/zinc/31/85/92/419318592.db2.gz GOBNICZLYXGZRL-ZBFHGGJFSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644910 419318593 /nfs/dbraw/zinc/31/85/93/419318593.db2.gz GOBNICZLYXGZRL-ZBFHGGJFSA-N 2 2 278.415 3.235 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000657470488 419286128 /nfs/dbraw/zinc/28/61/28/419286128.db2.gz SCVACKDXDKGENU-RDBSUJKOSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000657470488 419286131 /nfs/dbraw/zinc/28/61/31/419286131.db2.gz SCVACKDXDKGENU-RDBSUJKOSA-N 2 2 261.413 3.216 20 0 CGADLP FCC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000661691677 419286331 /nfs/dbraw/zinc/28/63/31/419286331.db2.gz IERUISSAJDDEPK-OAHLLOKOSA-N 2 2 287.382 3.444 20 0 CGADLP FCC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000661691677 419286333 /nfs/dbraw/zinc/28/63/33/419286333.db2.gz IERUISSAJDDEPK-OAHLLOKOSA-N 2 2 287.382 3.444 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000657470482 419286415 /nfs/dbraw/zinc/28/64/15/419286415.db2.gz SCVACKDXDKGENU-HZSPNIEDSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000657470482 419286417 /nfs/dbraw/zinc/28/64/17/419286417.db2.gz SCVACKDXDKGENU-HZSPNIEDSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(F)c3)CCC2)n1C ZINC000657498237 419294624 /nfs/dbraw/zinc/29/46/24/419294624.db2.gz CVSYIKSWICZBHB-UHFFFAOYSA-N 2 2 273.355 3.037 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000657524439 419297053 /nfs/dbraw/zinc/29/70/53/419297053.db2.gz OSDBLIISINZCCC-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000657524439 419297055 /nfs/dbraw/zinc/29/70/55/419297055.db2.gz OSDBLIISINZCCC-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000657523840 419297537 /nfs/dbraw/zinc/29/75/37/419297537.db2.gz LEWUEOBCDWHBBB-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000657523151 419297564 /nfs/dbraw/zinc/29/75/64/419297564.db2.gz DTUAHTSCRFUMSE-GFCCVEGCSA-N 2 2 266.454 3.273 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000657523151 419297567 /nfs/dbraw/zinc/29/75/67/419297567.db2.gz DTUAHTSCRFUMSE-GFCCVEGCSA-N 2 2 266.454 3.273 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000657524862 419298008 /nfs/dbraw/zinc/29/80/08/419298008.db2.gz SQDWLCIYRIUSSM-SJORKVTESA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000657524862 419298010 /nfs/dbraw/zinc/29/80/10/419298010.db2.gz SQDWLCIYRIUSSM-SJORKVTESA-N 2 2 272.436 3.006 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC000661534786 419270843 /nfs/dbraw/zinc/27/08/43/419270843.db2.gz NQYTVFBLFWHNMN-UHFFFAOYSA-N 2 2 277.456 3.499 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC000661534786 419270844 /nfs/dbraw/zinc/27/08/44/419270844.db2.gz NQYTVFBLFWHNMN-UHFFFAOYSA-N 2 2 277.456 3.499 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000657714386 419331507 /nfs/dbraw/zinc/33/15/07/419331507.db2.gz XRDLZQLSFDGWFN-AETAKHFUSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000657714386 419331511 /nfs/dbraw/zinc/33/15/11/419331511.db2.gz XRDLZQLSFDGWFN-AETAKHFUSA-N 2 2 270.420 3.147 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCOc1cccc2ccccc21 ZINC000662305084 419388229 /nfs/dbraw/zinc/38/82/29/419388229.db2.gz YPGDFKWWDMWPFQ-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2CCCOc1cccc2ccccc21 ZINC000662305084 419388233 /nfs/dbraw/zinc/38/82/33/419388233.db2.gz YPGDFKWWDMWPFQ-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C(C)(C)C(F)F ZINC000657857708 419390734 /nfs/dbraw/zinc/39/07/34/419390734.db2.gz BIXGMZFILBSPCI-QWHCGFSZSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2ccncc2s1 ZINC000657835112 419379628 /nfs/dbraw/zinc/37/96/28/419379628.db2.gz SOOFTHORMTVGFQ-NWDGAFQWSA-N 2 2 286.404 3.232 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657841599 419383472 /nfs/dbraw/zinc/38/34/72/419383472.db2.gz HPEMTDCBVPSMOR-SJORKVTESA-N 2 2 292.492 3.035 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCCC12CC2 ZINC000657919619 419437818 /nfs/dbraw/zinc/43/78/18/419437818.db2.gz ODMNFPNXAUSXJE-INIZCTEOSA-N 2 2 283.419 3.428 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C(C)(C)C(F)F)cn21 ZINC000658042675 419518434 /nfs/dbraw/zinc/51/84/34/419518434.db2.gz HTWKRAHRSKCXAG-GFCCVEGCSA-N 2 2 295.377 3.455 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000663315643 419553758 /nfs/dbraw/zinc/55/37/58/419553758.db2.gz ZKHROCRFKMEKLF-AWEZNQCLSA-N 2 2 257.381 3.185 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090151 419560704 /nfs/dbraw/zinc/56/07/04/419560704.db2.gz DZBLQFQMAZJSKL-UONOGXRCSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090151 419560712 /nfs/dbraw/zinc/56/07/12/419560712.db2.gz DZBLQFQMAZJSKL-UONOGXRCSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000663357860 419577426 /nfs/dbraw/zinc/57/74/26/419577426.db2.gz IUQZZKYSRMOSFB-QWRGUYRKSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@H+]1C1CC1 ZINC000663357860 419577435 /nfs/dbraw/zinc/57/74/35/419577435.db2.gz IUQZZKYSRMOSFB-QWRGUYRKSA-N 2 2 278.362 3.180 20 0 CGADLP CC1(C)C[C@]1(C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663369233 419580501 /nfs/dbraw/zinc/58/05/01/419580501.db2.gz UOVYOUAYKLGINX-IBGZPJMESA-N 2 2 295.430 3.287 20 0 CGADLP C[C@@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(F)F ZINC000658224185 419682140 /nfs/dbraw/zinc/68/21/40/419682140.db2.gz NVIAHKWBWDQBFU-OAHLLOKOSA-N 2 2 295.377 3.075 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000658284917 419732874 /nfs/dbraw/zinc/73/28/74/419732874.db2.gz HXCZOEYFIBJORT-WBVHZDCISA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000658284917 419732881 /nfs/dbraw/zinc/73/28/81/419732881.db2.gz HXCZOEYFIBJORT-WBVHZDCISA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000658286955 419733597 /nfs/dbraw/zinc/73/35/97/419733597.db2.gz WQJRLRIDRUDIQU-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000658286955 419733601 /nfs/dbraw/zinc/73/36/01/419733601.db2.gz WQJRLRIDRUDIQU-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000658294787 419742977 /nfs/dbraw/zinc/74/29/77/419742977.db2.gz JSEQOKCBCVQSRS-ZACQAIPSSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658295370 419744935 /nfs/dbraw/zinc/74/49/35/419744935.db2.gz MFRXSMIPZLCUKT-MSOLQXFVSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1c[nH+]c(CCNc2[nH+]ccc3[nH]ccc32)c(C)c1 ZINC000664074529 419819153 /nfs/dbraw/zinc/81/91/53/419819153.db2.gz UPFCAILBIXHPOG-UHFFFAOYSA-N 2 2 266.348 3.229 20 0 CGADLP CCCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325813 270029387 /nfs/dbraw/zinc/02/93/87/270029387.db2.gz XRYFPIGQTMBKJT-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325813 270029388 /nfs/dbraw/zinc/02/93/88/270029388.db2.gz XRYFPIGQTMBKJT-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CC(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041064109 270030460 /nfs/dbraw/zinc/03/04/60/270030460.db2.gz XRKZJACZBNERNL-INIZCTEOSA-N 2 2 257.381 3.260 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785766 270050467 /nfs/dbraw/zinc/05/04/67/270050467.db2.gz AZMSYJAQOJIGDU-SFHVURJKSA-N 2 2 280.415 3.460 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785766 270050469 /nfs/dbraw/zinc/05/04/69/270050469.db2.gz AZMSYJAQOJIGDU-SFHVURJKSA-N 2 2 280.415 3.460 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222698952 270086126 /nfs/dbraw/zinc/08/61/26/270086126.db2.gz JMFNMZAUCOYETF-RDJZCZTQSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222698952 270086127 /nfs/dbraw/zinc/08/61/27/270086127.db2.gz JMFNMZAUCOYETF-RDJZCZTQSA-N 2 2 290.451 3.466 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000222699540 270086165 /nfs/dbraw/zinc/08/61/65/270086165.db2.gz MEWIDTPUZJJXDT-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000222699540 270086166 /nfs/dbraw/zinc/08/61/66/270086166.db2.gz MEWIDTPUZJJXDT-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000237548375 270090701 /nfs/dbraw/zinc/09/07/01/270090701.db2.gz IMTRIVYOGNYGHO-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000237548375 270090702 /nfs/dbraw/zinc/09/07/02/270090702.db2.gz IMTRIVYOGNYGHO-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2ccc(C)cc21 ZINC000521617892 270102888 /nfs/dbraw/zinc/10/28/88/270102888.db2.gz LNYDJTQMTQRMRD-UHFFFAOYSA-N 2 2 294.402 3.362 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000526112771 270122878 /nfs/dbraw/zinc/12/28/78/270122878.db2.gz JXXYXWUGQYYPLT-IRXDYDNUSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000526112771 270122879 /nfs/dbraw/zinc/12/28/79/270122879.db2.gz JXXYXWUGQYYPLT-IRXDYDNUSA-N 2 2 260.425 3.458 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527673776 270131349 /nfs/dbraw/zinc/13/13/49/270131349.db2.gz OMOOZPGFRYAEQA-YPMHNXCESA-N 2 2 274.399 3.130 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527673776 270131350 /nfs/dbraw/zinc/13/13/50/270131350.db2.gz OMOOZPGFRYAEQA-YPMHNXCESA-N 2 2 274.399 3.130 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000527695331 270132027 /nfs/dbraw/zinc/13/20/27/270132027.db2.gz BGXCQZKAOPTPJO-APWZRJJASA-N 2 2 297.446 3.479 20 0 CGADLP c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527753962 270134323 /nfs/dbraw/zinc/13/43/23/270134323.db2.gz XPZUOEGXCDDTCK-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527753962 270134324 /nfs/dbraw/zinc/13/43/24/270134324.db2.gz XPZUOEGXCDDTCK-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H](c2ccccn2)C2CCC2)[nH+]1 ZINC000527771905 270135149 /nfs/dbraw/zinc/13/51/49/270135149.db2.gz KQLSJZMXLOLQQM-SFHVURJKSA-N 2 2 292.386 3.360 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808047 270137727 /nfs/dbraw/zinc/13/77/27/270137727.db2.gz PKEAILDROGQYBM-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808047 270137728 /nfs/dbraw/zinc/13/77/28/270137728.db2.gz PKEAILDROGQYBM-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCC1 ZINC000527948402 270146360 /nfs/dbraw/zinc/14/63/60/270146360.db2.gz LFBFXAMUWNEOFU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCC1 ZINC000527948402 270146361 /nfs/dbraw/zinc/14/63/61/270146361.db2.gz LFBFXAMUWNEOFU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012038 270151320 /nfs/dbraw/zinc/15/13/20/270151320.db2.gz NQACVEHSXNPEJY-CXAGYDPISA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012038 270151321 /nfs/dbraw/zinc/15/13/21/270151321.db2.gz NQACVEHSXNPEJY-CXAGYDPISA-N 2 2 276.399 3.493 20 0 CGADLP COc1ccc[nH+]c1NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000528023184 270152076 /nfs/dbraw/zinc/15/20/76/270152076.db2.gz NCZHLYGTKXRYEH-UHFFFAOYSA-N 2 2 298.390 3.006 20 0 CGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528771426 270172338 /nfs/dbraw/zinc/17/23/38/270172338.db2.gz URAKCMPEMCCQAY-CYBMUJFWSA-N 2 2 291.345 3.492 20 0 CGADLP C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528771426 270172339 /nfs/dbraw/zinc/17/23/39/270172339.db2.gz URAKCMPEMCCQAY-CYBMUJFWSA-N 2 2 291.345 3.492 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000530222968 270196520 /nfs/dbraw/zinc/19/65/20/270196520.db2.gz SGCUAPJZZNRKDA-HZPDHXFCSA-N 2 2 273.424 3.043 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)s1 ZINC000530216585 270195808 /nfs/dbraw/zinc/19/58/08/270195808.db2.gz BRYCVUHHILCBAH-ONGXEEELSA-N 2 2 270.829 3.337 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000531937953 270210821 /nfs/dbraw/zinc/21/08/21/270210821.db2.gz XGECAXCFJSPQLK-MRXNPFEDSA-N 2 2 296.524 3.372 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000531735599 270209242 /nfs/dbraw/zinc/20/92/42/270209242.db2.gz GXAMKEDEAFQUFF-ZOBUZTSGSA-N 2 2 290.451 3.212 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000531735599 270209243 /nfs/dbraw/zinc/20/92/43/270209243.db2.gz GXAMKEDEAFQUFF-ZOBUZTSGSA-N 2 2 290.451 3.212 20 0 CGADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000531936921 270211001 /nfs/dbraw/zinc/21/10/01/270211001.db2.gz SMWGIRFPPAOJHQ-QWHCGFSZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000531936921 270211002 /nfs/dbraw/zinc/21/10/02/270211002.db2.gz SMWGIRFPPAOJHQ-QWHCGFSZSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983884 270212475 /nfs/dbraw/zinc/21/24/75/270212475.db2.gz HUZMDCWLORVGBU-IRXDYDNUSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983884 270212476 /nfs/dbraw/zinc/21/24/76/270212476.db2.gz HUZMDCWLORVGBU-IRXDYDNUSA-N 2 2 274.452 3.248 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000236071480 287651306 /nfs/dbraw/zinc/65/13/06/287651306.db2.gz QQGGEYVZCVXKKB-DGCLKSJQSA-N 2 2 282.840 3.219 20 0 CGADLP CC1CC[NH+](c2ccc(NCc3[nH]cc[nH+]3)cc2)CC1 ZINC000158260355 273599918 /nfs/dbraw/zinc/59/99/18/273599918.db2.gz RURRASVWFLXNAT-UHFFFAOYSA-N 2 2 270.380 3.258 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531507 274238997 /nfs/dbraw/zinc/23/89/97/274238997.db2.gz FAQSTOUXKAIFNR-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531507 274238999 /nfs/dbraw/zinc/23/89/99/274238999.db2.gz FAQSTOUXKAIFNR-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cn[nH]c1 ZINC000222478561 274255356 /nfs/dbraw/zinc/25/53/56/274255356.db2.gz HIHXEHFHAOBPFO-QWHCGFSZSA-N 2 2 281.363 3.007 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000423147695 274261677 /nfs/dbraw/zinc/26/16/77/274261677.db2.gz SRFOFPVHAKTWDB-DQYPLSBCSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H](C)[NH+]1C ZINC000338794940 274366102 /nfs/dbraw/zinc/36/61/02/274366102.db2.gz MLZUGHQPBKHSRD-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H]2CSc3ccccc32)[nH+]1 ZINC000354279321 275072911 /nfs/dbraw/zinc/07/29/11/275072911.db2.gz BXROCVYAQQXYGD-AWEZNQCLSA-N 2 2 281.384 3.271 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2ccsc2)CC1 ZINC000414740094 275915945 /nfs/dbraw/zinc/91/59/45/275915945.db2.gz JHLHGMOUCYDLGV-HNNXBMFYSA-N 2 2 266.454 3.301 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427854604 276023384 /nfs/dbraw/zinc/02/33/84/276023384.db2.gz QSOHJCABIQSWAJ-IRXDYDNUSA-N 2 2 283.419 3.199 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000348310581 276109244 /nfs/dbraw/zinc/10/92/44/276109244.db2.gz HKTOPROIZQOCOX-ZIAGYGMSSA-N 2 2 281.469 3.133 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cccc(C)[nH+]1)c1ccco1 ZINC000157270847 276113897 /nfs/dbraw/zinc/11/38/97/276113897.db2.gz SPZJLTQESPXTKG-AWEZNQCLSA-N 2 2 273.380 3.478 20 0 CGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000334322088 277275507 /nfs/dbraw/zinc/27/55/07/277275507.db2.gz IKVVDBFWVPWCPX-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000334322088 277275508 /nfs/dbraw/zinc/27/55/08/277275508.db2.gz IKVVDBFWVPWCPX-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423559804 277943058 /nfs/dbraw/zinc/94/30/58/277943058.db2.gz PEWDSJMBNZSYRU-DYVFJYSZSA-N 2 2 288.435 3.149 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367439483 277989827 /nfs/dbraw/zinc/98/98/27/277989827.db2.gz UXOSCWCCUQJDCX-QGZVFWFLSA-N 2 2 297.402 3.005 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422563433 278006203 /nfs/dbraw/zinc/00/62/03/278006203.db2.gz SWANIMXWWGAKPQ-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422563433 278006204 /nfs/dbraw/zinc/00/62/04/278006204.db2.gz SWANIMXWWGAKPQ-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000414779708 278034137 /nfs/dbraw/zinc/03/41/37/278034137.db2.gz AIBKWDOVFRMMAN-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000414779708 278034138 /nfs/dbraw/zinc/03/41/38/278034138.db2.gz AIBKWDOVFRMMAN-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422846564 278283983 /nfs/dbraw/zinc/28/39/83/278283983.db2.gz QCYYUCXGHZOXEI-BPNCWPANSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)c2ccccc21)[NH+](C)C ZINC000038087909 278286305 /nfs/dbraw/zinc/28/63/05/278286305.db2.gz LZMNIDFVNMLMQM-BBRMVZONSA-N 2 2 260.425 3.339 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000397925188 288035070 /nfs/dbraw/zinc/03/50/70/288035070.db2.gz JNJAKMUOYSQXFF-LLVKDONJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccco1 ZINC000247234090 278345710 /nfs/dbraw/zinc/34/57/10/278345710.db2.gz YMISRLYKVRSNCI-RBSFLKMASA-N 2 2 264.413 3.298 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000398064763 288038030 /nfs/dbraw/zinc/03/80/30/288038030.db2.gz CVELDWLFYUEGGC-SUMWQHHRSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCCC1 ZINC000334398169 278375964 /nfs/dbraw/zinc/37/59/64/278375964.db2.gz XCDROYNDEJIPAS-TZMCWYRMSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCCC1 ZINC000334398169 278375965 /nfs/dbraw/zinc/37/59/65/278375965.db2.gz XCDROYNDEJIPAS-TZMCWYRMSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CCCCC1 ZINC000480090895 288049446 /nfs/dbraw/zinc/04/94/46/288049446.db2.gz VJIRVLWLSQRRRZ-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CCCCC1 ZINC000480090895 288049448 /nfs/dbraw/zinc/04/94/48/288049448.db2.gz VJIRVLWLSQRRRZ-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423055126 288063077 /nfs/dbraw/zinc/06/30/77/288063077.db2.gz CSVVBOWLKWFHCC-FZMZJTMJSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C(C)(C)C)cs1 ZINC000459411753 288091132 /nfs/dbraw/zinc/09/11/32/288091132.db2.gz UPXGKURJOSHLRP-LLVKDONJSA-N 2 2 292.452 3.067 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)CCC2 ZINC000359324314 279004058 /nfs/dbraw/zinc/00/40/58/279004058.db2.gz QZXVHGCYOAFBAJ-XHSDSOJGSA-N 2 2 273.424 3.237 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000459513837 288095118 /nfs/dbraw/zinc/09/51/18/288095118.db2.gz CLAHPRQFKBYDJW-TXEJJXNPSA-N 2 2 289.345 3.016 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000459513837 288095122 /nfs/dbraw/zinc/09/51/22/288095122.db2.gz CLAHPRQFKBYDJW-TXEJJXNPSA-N 2 2 289.345 3.016 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC000347350604 279115741 /nfs/dbraw/zinc/11/57/41/279115741.db2.gz WZTNKVARARQZAW-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C)CC1 ZINC000347350604 279115743 /nfs/dbraw/zinc/11/57/43/279115743.db2.gz WZTNKVARARQZAW-MNAZLIDISA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423263175 279142238 /nfs/dbraw/zinc/14/22/38/279142238.db2.gz NZZJPMSUKRYGKA-VXGBXAGGSA-N 2 2 281.469 3.046 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000414755586 279179473 /nfs/dbraw/zinc/17/94/73/279179473.db2.gz HQFJCJKHYUIGDC-GRYCIOLGSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000414755586 279179474 /nfs/dbraw/zinc/17/94/74/279179474.db2.gz HQFJCJKHYUIGDC-GRYCIOLGSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770510 279180148 /nfs/dbraw/zinc/18/01/48/279180148.db2.gz YDKXDFKIZKHELA-STQMWFEESA-N 2 2 292.389 3.414 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770510 279180150 /nfs/dbraw/zinc/18/01/50/279180150.db2.gz YDKXDFKIZKHELA-STQMWFEESA-N 2 2 292.389 3.414 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336880 279398243 /nfs/dbraw/zinc/39/82/43/279398243.db2.gz MGCVMFLXKYQMNP-CXAGYDPISA-N 2 2 296.405 3.435 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336880 279398244 /nfs/dbraw/zinc/39/82/44/279398244.db2.gz MGCVMFLXKYQMNP-CXAGYDPISA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336880 279398245 /nfs/dbraw/zinc/39/82/45/279398245.db2.gz MGCVMFLXKYQMNP-CXAGYDPISA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336880 279398246 /nfs/dbraw/zinc/39/82/46/279398246.db2.gz MGCVMFLXKYQMNP-CXAGYDPISA-N 2 2 296.405 3.435 20 0 CGADLP Fc1cccc(F)c1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000363784066 279468875 /nfs/dbraw/zinc/46/88/75/279468875.db2.gz VVHAWJMDVASHFN-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000313251886 279473030 /nfs/dbraw/zinc/47/30/30/279473030.db2.gz JWNBHYNUBSBLJM-IILDEKEXSA-N 2 2 287.451 3.157 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)CO2 ZINC000526982358 288155218 /nfs/dbraw/zinc/15/52/18/288155218.db2.gz WQNUYFPRQNLNGO-KRWDZBQOSA-N 2 2 282.387 3.354 20 0 CGADLP CCc1cnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000527049540 288156548 /nfs/dbraw/zinc/15/65/48/288156548.db2.gz DFGSRYDLMVAHTC-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP C[C@]1(C[NH2+]CC2(F)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000527233511 288159146 /nfs/dbraw/zinc/15/91/46/288159146.db2.gz OOYVVWFLDZTZNX-MRXNPFEDSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@]1(C[NH2+]CC2(F)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000527233511 288159148 /nfs/dbraw/zinc/15/91/48/288159148.db2.gz OOYVVWFLDZTZNX-MRXNPFEDSA-N 2 2 276.399 3.133 20 0 CGADLP c1cn(CCCc2[nH]c3ccccc3[nH+]2)c(C2CC2)[nH+]1 ZINC000530130366 288288729 /nfs/dbraw/zinc/28/87/29/288288729.db2.gz UUALMFBAOZYJAH-UHFFFAOYSA-N 2 2 266.348 3.270 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)[C@H](C)C2 ZINC000353621008 281124021 /nfs/dbraw/zinc/12/40/21/281124021.db2.gz KJVKOTUBGUHWDX-RVZJWNSFSA-N 2 2 281.403 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)[C@H](C)C2 ZINC000353621008 281124022 /nfs/dbraw/zinc/12/40/22/281124022.db2.gz KJVKOTUBGUHWDX-RVZJWNSFSA-N 2 2 281.403 3.099 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359945555 281271295 /nfs/dbraw/zinc/27/12/95/281271295.db2.gz XKMVJEYBMYNGIS-KSZLIROESA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359945555 281271297 /nfs/dbraw/zinc/27/12/97/281271297.db2.gz XKMVJEYBMYNGIS-KSZLIROESA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358130646 281271826 /nfs/dbraw/zinc/27/18/26/281271826.db2.gz MSXZZTFZWFHJHT-KKXDTOCCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358130646 281271830 /nfs/dbraw/zinc/27/18/30/281271830.db2.gz MSXZZTFZWFHJHT-KKXDTOCCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CCC2 ZINC000344516804 281552072 /nfs/dbraw/zinc/55/20/72/281552072.db2.gz PGBHTFWEMYWGEV-VHDGCEQUSA-N 2 2 261.413 3.237 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000531703366 288341060 /nfs/dbraw/zinc/34/10/60/288341060.db2.gz OPDZXEONOOTOMS-SJLPKXTDSA-N 2 2 270.420 3.354 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531703366 288341062 /nfs/dbraw/zinc/34/10/62/288341062.db2.gz OPDZXEONOOTOMS-SJLPKXTDSA-N 2 2 270.420 3.354 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000532195407 288354949 /nfs/dbraw/zinc/35/49/49/288354949.db2.gz QFJDELWKQQBLKQ-MAUKXSAKSA-N 2 2 298.430 3.383 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000532195407 288354951 /nfs/dbraw/zinc/35/49/51/288354951.db2.gz QFJDELWKQQBLKQ-MAUKXSAKSA-N 2 2 298.430 3.383 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc2ccccc21 ZINC000532203311 288355571 /nfs/dbraw/zinc/35/55/71/288355571.db2.gz QCQLVFNAGMWYAV-QWQRMKEZSA-N 2 2 268.404 3.441 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc2ccccc21 ZINC000532203311 288355572 /nfs/dbraw/zinc/35/55/72/288355572.db2.gz QCQLVFNAGMWYAV-QWQRMKEZSA-N 2 2 268.404 3.441 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455424 288362126 /nfs/dbraw/zinc/36/21/26/288362126.db2.gz KCRRTZHMSKSBPX-LTDKPHRXSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455424 288362128 /nfs/dbraw/zinc/36/21/28/288362128.db2.gz KCRRTZHMSKSBPX-LTDKPHRXSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540711 288366194 /nfs/dbraw/zinc/36/61/94/288366194.db2.gz UJOXTPKTSVMDPZ-HNAYVOBHSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540711 288366198 /nfs/dbraw/zinc/36/61/98/288366198.db2.gz UJOXTPKTSVMDPZ-HNAYVOBHSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544048 288366672 /nfs/dbraw/zinc/36/66/72/288366672.db2.gz CNYNCZHLOGPTFG-XJKSGUPXSA-N 2 2 294.870 3.448 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544048 288366676 /nfs/dbraw/zinc/36/66/76/288366676.db2.gz CNYNCZHLOGPTFG-XJKSGUPXSA-N 2 2 294.870 3.448 20 0 CGADLP CC1(C)CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000548699870 289016162 /nfs/dbraw/zinc/01/61/62/289016162.db2.gz HQMKDTOMUDJAPJ-UHFFFAOYSA-N 2 2 275.421 3.460 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000550662334 289080869 /nfs/dbraw/zinc/08/08/69/289080869.db2.gz VTPIXAHLOIDOOA-HNNXBMFYSA-N 2 2 252.446 3.421 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000550662334 289080870 /nfs/dbraw/zinc/08/08/70/289080870.db2.gz VTPIXAHLOIDOOA-HNNXBMFYSA-N 2 2 252.446 3.421 20 0 CGADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551267577 289106412 /nfs/dbraw/zinc/10/64/12/289106412.db2.gz DIKAHRPOCCIUBO-ZWKOTPCHSA-N 2 2 270.420 3.349 20 0 CGADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551267577 289106413 /nfs/dbraw/zinc/10/64/13/289106413.db2.gz DIKAHRPOCCIUBO-ZWKOTPCHSA-N 2 2 270.420 3.349 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000554089516 289257255 /nfs/dbraw/zinc/25/72/55/289257255.db2.gz UFRIOKKCIQJOIJ-BGTYHANMSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000554089516 289257256 /nfs/dbraw/zinc/25/72/56/289257256.db2.gz UFRIOKKCIQJOIJ-BGTYHANMSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554347874 289272875 /nfs/dbraw/zinc/27/28/75/289272875.db2.gz XWNAQYIMXJVYTR-DLBZAZTESA-N 2 2 294.483 3.047 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554376558 289278640 /nfs/dbraw/zinc/27/86/40/289278640.db2.gz BFGFNXHYGKQCLQ-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CCc1[nH+]c2ccccc2c(N(C)Cc2[nH+]ccn2C)c1C ZINC000554488189 289285431 /nfs/dbraw/zinc/28/54/31/289285431.db2.gz LMMWFVATMSCFBF-UHFFFAOYSA-N 2 2 294.402 3.476 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474030137 289288316 /nfs/dbraw/zinc/28/83/16/289288316.db2.gz FHENJSFAGKMELG-QZTJIDSGSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234070 289334963 /nfs/dbraw/zinc/33/49/63/289334963.db2.gz KCOIPIKVDAXHNS-NCTLDZBQSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555234070 289334964 /nfs/dbraw/zinc/33/49/64/289334964.db2.gz KCOIPIKVDAXHNS-NCTLDZBQSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000558252871 289482265 /nfs/dbraw/zinc/48/22/65/289482265.db2.gz AGTXVQODZJFOBL-RWMBFGLXSA-N 2 2 268.832 3.372 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1COC(C)C)[C@@H]1CCC[NH2+]1 ZINC000562958722 289747014 /nfs/dbraw/zinc/74/70/14/289747014.db2.gz NZDXADLSBSDHEY-ROUUACIJSA-N 2 2 290.451 3.232 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423271955 289996397 /nfs/dbraw/zinc/99/63/97/289996397.db2.gz HSFOUMPYHHFUSJ-SDBXPKJASA-N 2 2 273.207 3.381 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000367594952 290050706 /nfs/dbraw/zinc/05/07/06/290050706.db2.gz MRLJIXTYAYOTMZ-QANKJYHBSA-N 2 2 298.434 3.068 20 0 CGADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269696586 290271794 /nfs/dbraw/zinc/27/17/94/290271794.db2.gz XKDUOYLXFXBYPK-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269696586 290271795 /nfs/dbraw/zinc/27/17/95/290271795.db2.gz XKDUOYLXFXBYPK-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269696586 290271796 /nfs/dbraw/zinc/27/17/96/290271796.db2.gz XKDUOYLXFXBYPK-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269696586 290271797 /nfs/dbraw/zinc/27/17/97/290271797.db2.gz XKDUOYLXFXBYPK-KYJSFNMBSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000367209049 290275390 /nfs/dbraw/zinc/27/53/90/290275390.db2.gz ZETZREHKHSZFQT-IWKCEXAMSA-N 2 2 299.462 3.385 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000181233625 294660467 /nfs/dbraw/zinc/66/04/67/294660467.db2.gz KAFHJSMKVGBXRZ-UHFFFAOYSA-N 2 2 278.362 3.041 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC000516193397 295223386 /nfs/dbraw/zinc/22/33/86/295223386.db2.gz LINLLSNATNQBMU-PTXATLKXSA-N 2 2 274.383 3.016 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC000516193397 295223388 /nfs/dbraw/zinc/22/33/88/295223388.db2.gz LINLLSNATNQBMU-PTXATLKXSA-N 2 2 274.383 3.016 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423362160 295256790 /nfs/dbraw/zinc/25/67/90/295256790.db2.gz MUSIBFQDRWUUES-ZLIFDBKOSA-N 2 2 288.435 3.005 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038117 303130870 /nfs/dbraw/zinc/13/08/70/303130870.db2.gz XXCLSQXPJYEONC-DYVFJYSZSA-N 2 2 294.389 3.491 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038117 303130872 /nfs/dbraw/zinc/13/08/72/303130872.db2.gz XXCLSQXPJYEONC-DYVFJYSZSA-N 2 2 294.389 3.491 20 0 CGADLP Fc1ccc2c(cc[nH+]c2NC2CC([NH+]3CCCCC3)C2)c1 ZINC000563037710 321975008 /nfs/dbraw/zinc/97/50/08/321975008.db2.gz CLMFRDFRBBRBSR-UHFFFAOYSA-N 2 2 299.393 3.225 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000563429646 321997442 /nfs/dbraw/zinc/99/74/42/321997442.db2.gz ARXBWDZJSCLXHP-AWEZNQCLSA-N 2 2 282.378 3.492 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)n1C ZINC000563439225 321998334 /nfs/dbraw/zinc/99/83/34/321998334.db2.gz KBBSTSHSGRABQD-CYBMUJFWSA-N 2 2 271.408 3.184 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC(C)(C)[NH+](C)C ZINC000564892010 322048327 /nfs/dbraw/zinc/04/83/27/322048327.db2.gz DJAYPDPVBZOGBQ-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP Cc1[nH]c(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)[nH+]c1C ZINC000565236908 322068701 /nfs/dbraw/zinc/06/87/01/322068701.db2.gz CXELQGXPBWKIHF-UHFFFAOYSA-N 2 2 295.390 3.403 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000566171009 322108188 /nfs/dbraw/zinc/10/81/88/322108188.db2.gz XTQZYNNGSDPXGX-RDTXWAMCSA-N 2 2 290.451 3.099 20 0 CGADLP C[C@H]1[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000566392425 322120187 /nfs/dbraw/zinc/12/01/87/322120187.db2.gz CMOAOEUAQGATLC-TUUVXOQKSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]1[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000566392425 322120189 /nfs/dbraw/zinc/12/01/89/322120189.db2.gz CMOAOEUAQGATLC-TUUVXOQKSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942884 322144128 /nfs/dbraw/zinc/14/41/28/322144128.db2.gz RPLUZPNJPYRIDU-TZMCWYRMSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942884 322144130 /nfs/dbraw/zinc/14/41/30/322144130.db2.gz RPLUZPNJPYRIDU-TZMCWYRMSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942884 322144132 /nfs/dbraw/zinc/14/41/32/322144132.db2.gz RPLUZPNJPYRIDU-TZMCWYRMSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942884 322144133 /nfs/dbraw/zinc/14/41/33/322144133.db2.gz RPLUZPNJPYRIDU-TZMCWYRMSA-N 2 2 295.496 3.213 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624443 322170874 /nfs/dbraw/zinc/17/08/74/322170874.db2.gz PITQMBZMJOCIGF-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624443 322170875 /nfs/dbraw/zinc/17/08/75/322170875.db2.gz PITQMBZMJOCIGF-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624443 322170878 /nfs/dbraw/zinc/17/08/78/322170878.db2.gz PITQMBZMJOCIGF-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624443 322170880 /nfs/dbraw/zinc/17/08/80/322170880.db2.gz PITQMBZMJOCIGF-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000567734509 322175164 /nfs/dbraw/zinc/17/51/64/322175164.db2.gz MRRNRLUXCBXIIM-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000567734509 322175166 /nfs/dbraw/zinc/17/51/66/322175166.db2.gz MRRNRLUXCBXIIM-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000567781321 322177494 /nfs/dbraw/zinc/17/74/94/322177494.db2.gz BQRHBCPHDOKQFF-DLBZAZTESA-N 2 2 276.424 3.116 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000567871929 322180999 /nfs/dbraw/zinc/18/09/99/322180999.db2.gz GCJDKJIJJAJJOG-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000567871929 322181000 /nfs/dbraw/zinc/18/10/00/322181000.db2.gz GCJDKJIJJAJJOG-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000568165476 322195221 /nfs/dbraw/zinc/19/52/21/322195221.db2.gz ODTSYHNVIAVLSC-VWTAQGJOSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000568165476 322195223 /nfs/dbraw/zinc/19/52/23/322195223.db2.gz ODTSYHNVIAVLSC-VWTAQGJOSA-N 2 2 281.403 3.313 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000569355964 322244960 /nfs/dbraw/zinc/24/49/60/322244960.db2.gz GNAGMOCELTZEFP-CQSZACIVSA-N 2 2 278.359 3.167 20 0 CGADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569706735 322254769 /nfs/dbraw/zinc/25/47/69/322254769.db2.gz SBEYBQNDYGIOIG-ZBFHGGJFSA-N 2 2 263.429 3.253 20 0 CGADLP CCC[C@H]1[C@H](C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000569706735 322254770 /nfs/dbraw/zinc/25/47/70/322254770.db2.gz SBEYBQNDYGIOIG-ZBFHGGJFSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(C)cc1 ZINC000570584206 322277293 /nfs/dbraw/zinc/27/72/93/322277293.db2.gz XKIVHIHUYASKEG-INIZCTEOSA-N 2 2 257.381 3.278 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000571389738 322297166 /nfs/dbraw/zinc/29/71/66/322297166.db2.gz YRVCVBZCTLDGLA-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000571389738 322297167 /nfs/dbraw/zinc/29/71/67/322297167.db2.gz YRVCVBZCTLDGLA-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000572749623 322352797 /nfs/dbraw/zinc/35/27/97/322352797.db2.gz ZIDAABOGBMQCOD-RDJZCZTQSA-N 2 2 297.402 3.135 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000572749624 322352886 /nfs/dbraw/zinc/35/28/86/322352886.db2.gz ZIDAABOGBMQCOD-WBVHZDCISA-N 2 2 297.402 3.135 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000572749622 322353021 /nfs/dbraw/zinc/35/30/21/322353021.db2.gz ZIDAABOGBMQCOD-NVXWUHKLSA-N 2 2 297.402 3.135 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000572879663 322359268 /nfs/dbraw/zinc/35/92/68/322359268.db2.gz QQJIRYVPLGWBMQ-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000572879663 322359271 /nfs/dbraw/zinc/35/92/71/322359271.db2.gz QQJIRYVPLGWBMQ-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573371098 322384240 /nfs/dbraw/zinc/38/42/40/322384240.db2.gz VPEFJEYXHRZZNJ-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573371098 322384243 /nfs/dbraw/zinc/38/42/43/322384243.db2.gz VPEFJEYXHRZZNJ-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000575795211 322490091 /nfs/dbraw/zinc/49/00/91/322490091.db2.gz YSDGBNUSHXSWJW-FUHWJXTLSA-N 3 2 295.515 3.007 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)n1C ZINC000583033800 329305364 /nfs/dbraw/zinc/30/53/64/329305364.db2.gz BQXREWAEFQWNNF-HOCLYGCPSA-N 2 2 287.382 3.294 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCCC23CC3)[nH+]c1 ZINC000580451756 330138720 /nfs/dbraw/zinc/13/87/20/330138720.db2.gz KSMZRRHITCPFSQ-CQSZACIVSA-N 2 2 259.397 3.196 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H](C)C1CCCCC1 ZINC000576908247 335262864 /nfs/dbraw/zinc/26/28/64/335262864.db2.gz NWTFADOMSPLGFX-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000578148750 335529637 /nfs/dbraw/zinc/52/96/37/335529637.db2.gz YBHTZBJHRWFBRW-RUXDESIVSA-N 2 2 296.374 3.032 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCNc3ccccc32)c[nH+]1 ZINC000581911304 336164557 /nfs/dbraw/zinc/16/45/57/336164557.db2.gz NHSAOTWAVRYEOO-QGZVFWFLSA-N 2 2 284.407 3.200 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CC34CCCC4)cc2)c[nH+]1 ZINC000387105069 336185299 /nfs/dbraw/zinc/18/52/99/336185299.db2.gz GFDYAUAIRLRIGS-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409244 500888599 /nfs/dbraw/zinc/88/85/99/500888599.db2.gz WNPZZFHMZVOYFB-XJFOESAGSA-N 2 2 288.426 3.376 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409244 500888597 /nfs/dbraw/zinc/88/85/97/500888597.db2.gz WNPZZFHMZVOYFB-XJFOESAGSA-N 2 2 288.426 3.376 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000449400863 533737922 /nfs/dbraw/zinc/73/79/22/533737922.db2.gz DMKGHVHATULYBM-KXBFYZLASA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000449400863 533737930 /nfs/dbraw/zinc/73/79/30/533737930.db2.gz DMKGHVHATULYBM-KXBFYZLASA-N 2 2 295.430 3.000 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H]3CCC[N@@H+]3C)cccc12 ZINC000449103863 533838063 /nfs/dbraw/zinc/83/80/63/533838063.db2.gz SEMSLVFMDHQHRS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H]3CCC[N@H+]3C)cccc12 ZINC000449103863 533838069 /nfs/dbraw/zinc/83/80/69/533838069.db2.gz SEMSLVFMDHQHRS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cccc2c(C[NH2+][C@H](C)Cn3cc[nH+]c3)cccc12 ZINC000449078373 533839536 /nfs/dbraw/zinc/83/95/36/533839536.db2.gz UROILMNFDVWQJA-CQSZACIVSA-N 2 2 295.386 3.223 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000436444340 533847531 /nfs/dbraw/zinc/84/75/31/533847531.db2.gz MZQOTOGBHILOFA-CHWSQXEVSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000436444340 533847539 /nfs/dbraw/zinc/84/75/39/533847539.db2.gz MZQOTOGBHILOFA-CHWSQXEVSA-N 2 2 285.391 3.138 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000178442392 533849814 /nfs/dbraw/zinc/84/98/14/533849814.db2.gz XWRDQWUZGRTARQ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000178442392 533849817 /nfs/dbraw/zinc/84/98/17/533849817.db2.gz XWRDQWUZGRTARQ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000178442392 533849818 /nfs/dbraw/zinc/84/98/18/533849818.db2.gz XWRDQWUZGRTARQ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000178442392 533849826 /nfs/dbraw/zinc/84/98/26/533849826.db2.gz XWRDQWUZGRTARQ-OAHLLOKOSA-N 2 2 296.842 3.265 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000423367798 533865675 /nfs/dbraw/zinc/86/56/75/533865675.db2.gz RLTUZQOHPKEDEO-NWDGAFQWSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629105 533878040 /nfs/dbraw/zinc/87/80/40/533878040.db2.gz MKCYYGARHNBMQC-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629105 533878049 /nfs/dbraw/zinc/87/80/49/533878049.db2.gz MKCYYGARHNBMQC-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(N)cc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000414968176 533885438 /nfs/dbraw/zinc/88/54/38/533885438.db2.gz RMBZWTDWFFUZSS-UHFFFAOYSA-N 2 2 269.392 3.003 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423129859 533913815 /nfs/dbraw/zinc/91/38/15/533913815.db2.gz FVFBRONGAMITNP-WFASDCNBSA-N 2 2 282.378 3.419 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000365835546 533927126 /nfs/dbraw/zinc/92/71/26/533927126.db2.gz UKXVQASKZFWFRC-CYBMUJFWSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000365835546 533927134 /nfs/dbraw/zinc/92/71/34/533927134.db2.gz UKXVQASKZFWFRC-CYBMUJFWSA-N 2 2 275.421 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@@H+]1C1CC1 ZINC000436286510 533953709 /nfs/dbraw/zinc/95/37/09/533953709.db2.gz RFGGUQZSTRBUNJ-YPMHNXCESA-N 2 2 287.382 3.022 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@H+]1C1CC1 ZINC000436286510 533953715 /nfs/dbraw/zinc/95/37/15/533953715.db2.gz RFGGUQZSTRBUNJ-YPMHNXCESA-N 2 2 287.382 3.022 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130192611 533961941 /nfs/dbraw/zinc/96/19/41/533961941.db2.gz PBKZGNOYKTYTLZ-VHDGCEQUSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130192611 533961948 /nfs/dbraw/zinc/96/19/48/533961948.db2.gz PBKZGNOYKTYTLZ-VHDGCEQUSA-N 2 2 292.398 3.112 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000425338366 533992405 /nfs/dbraw/zinc/99/24/05/533992405.db2.gz PAYHDBAWXRZFJZ-LLLHUVSDSA-N 2 2 292.492 3.470 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000425335098 533994682 /nfs/dbraw/zinc/99/46/82/533994682.db2.gz HMBIOJFRMVLEAT-BVUBDWEXSA-N 2 2 278.465 3.161 20 0 CGADLP C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000367221256 534030280 /nfs/dbraw/zinc/03/02/80/534030280.db2.gz GVQPXYHPCGNBFK-CHWSQXEVSA-N 2 2 289.345 3.499 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000367221256 534030286 /nfs/dbraw/zinc/03/02/86/534030286.db2.gz GVQPXYHPCGNBFK-CHWSQXEVSA-N 2 2 289.345 3.499 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000411386169 534055103 /nfs/dbraw/zinc/05/51/03/534055103.db2.gz JJOCJYJMPWBBCX-BVPBIZIASA-N 2 2 299.393 3.461 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000411386169 534055111 /nfs/dbraw/zinc/05/51/11/534055111.db2.gz JJOCJYJMPWBBCX-BVPBIZIASA-N 2 2 299.393 3.461 20 0 CGADLP CSc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000422990822 534169387 /nfs/dbraw/zinc/16/93/87/534169387.db2.gz OFNBYZLGMALYCQ-GJZGRUSLSA-N 2 2 285.416 3.038 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367440045 534225576 /nfs/dbraw/zinc/22/55/76/534225576.db2.gz ZDXWAAIVSJBXHR-LBPRGKRZSA-N 2 2 275.421 3.440 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427860953 534231701 /nfs/dbraw/zinc/23/17/01/534231701.db2.gz BDWYCNAZVXDADA-SWLSCSKDSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423273155 534259464 /nfs/dbraw/zinc/25/94/64/534259464.db2.gz IPTXZVOIDKDTRA-AWEZNQCLSA-N 2 2 264.413 3.113 20 0 CGADLP C[C@@]1(F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449352971 534271561 /nfs/dbraw/zinc/27/15/61/534271561.db2.gz XMKYPSBAWZLAHP-CQSZACIVSA-N 2 2 279.384 3.258 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449352971 534271564 /nfs/dbraw/zinc/27/15/64/534271564.db2.gz XMKYPSBAWZLAHP-CQSZACIVSA-N 2 2 279.384 3.258 20 0 CGADLP Fc1cc(F)cc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000368017813 534446924 /nfs/dbraw/zinc/44/69/24/534446924.db2.gz IEIBUMPHYJGICC-UHFFFAOYSA-N 2 2 291.345 3.087 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc2c1 ZINC000423263338 534472716 /nfs/dbraw/zinc/47/27/16/534472716.db2.gz AYAQWDZYWRYEOP-OCCSQVGLSA-N 2 2 260.381 3.375 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427859230 534496236 /nfs/dbraw/zinc/49/62/36/534496236.db2.gz VOILQTUVWBOUTA-NVXWUHKLSA-N 2 2 285.366 3.078 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]CC3=CCCCC3)CC2)c1 ZINC000449375039 534506218 /nfs/dbraw/zinc/50/62/18/534506218.db2.gz DONUVHIGLIHSOW-UHFFFAOYSA-N 2 2 285.435 3.136 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccs1)CCC2 ZINC000366208756 534511286 /nfs/dbraw/zinc/51/12/86/534511286.db2.gz IYEXRYMUOOVZRT-QWHCGFSZSA-N 2 2 275.421 3.481 20 0 CGADLP c1coc(C2=CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000367708579 534515288 /nfs/dbraw/zinc/51/52/88/534515288.db2.gz VDUBXPBRIVPHCI-UHFFFAOYSA-N 2 2 279.343 3.217 20 0 CGADLP c1coc(C2=CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000367708579 534515295 /nfs/dbraw/zinc/51/52/95/534515295.db2.gz VDUBXPBRIVPHCI-UHFFFAOYSA-N 2 2 279.343 3.217 20 0 CGADLP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cc21 ZINC000436239704 534527912 /nfs/dbraw/zinc/52/79/12/534527912.db2.gz IOLOJBZGNSRPSR-LBPRGKRZSA-N 2 2 298.365 3.171 20 0 CGADLP CC(C)(C)C1CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000459484528 534551671 /nfs/dbraw/zinc/55/16/71/534551671.db2.gz SVNBZTVSAOKIPE-UHFFFAOYSA-N 2 2 261.413 3.298 20 0 CGADLP COC1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186319584 522691764 /nfs/dbraw/zinc/69/17/64/522691764.db2.gz WYDAWIFFOIEGQB-IWCVFHTOSA-N 2 2 290.451 3.225 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCOC1 ZINC000151707630 522913688 /nfs/dbraw/zinc/91/36/88/522913688.db2.gz CZQFQJKFSGMAFZ-YXJHDRRASA-N 2 2 299.418 3.338 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000163377041 523828912 /nfs/dbraw/zinc/82/89/12/523828912.db2.gz FYXBAZCGSAQRAD-CZUORRHYSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000163377041 523828918 /nfs/dbraw/zinc/82/89/18/523828918.db2.gz FYXBAZCGSAQRAD-CZUORRHYSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C[NH3+] ZINC000150293384 524232276 /nfs/dbraw/zinc/23/22/76/524232276.db2.gz ZTBBXOMAIFAGDW-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C[NH3+] ZINC000150293384 524232283 /nfs/dbraw/zinc/23/22/83/524232283.db2.gz ZTBBXOMAIFAGDW-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367540152 534773958 /nfs/dbraw/zinc/77/39/58/534773958.db2.gz IMORGHFVGPFICI-GUDVDZBRSA-N 2 2 295.430 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367540152 534773960 /nfs/dbraw/zinc/77/39/60/534773960.db2.gz IMORGHFVGPFICI-GUDVDZBRSA-N 2 2 295.430 3.460 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)[nH+]1 ZINC000157028282 524679991 /nfs/dbraw/zinc/67/99/91/524679991.db2.gz WYPGSLNPXOCSTJ-ZDUSSCGKSA-N 2 2 287.432 3.310 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@H+]2CCc3sccc3C2)[nH+]1 ZINC000157028282 524679997 /nfs/dbraw/zinc/67/99/97/524679997.db2.gz WYPGSLNPXOCSTJ-ZDUSSCGKSA-N 2 2 287.432 3.310 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286562 524855938 /nfs/dbraw/zinc/85/59/38/524855938.db2.gz SMXZQPOCZKZIAQ-SMDDNHRTSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286562 524855948 /nfs/dbraw/zinc/85/59/48/524855948.db2.gz SMXZQPOCZKZIAQ-SMDDNHRTSA-N 2 2 268.351 3.326 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427892054 527682640 /nfs/dbraw/zinc/68/26/40/527682640.db2.gz MLDZENARDWJFSO-AWEZNQCLSA-N 2 2 263.429 3.248 20 0 CGADLP CC(C)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000355075324 527799643 /nfs/dbraw/zinc/79/96/43/527799643.db2.gz AXQAXXIKNSAKOR-INIZCTEOSA-N 2 2 269.392 3.350 20 0 CGADLP CC(C)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000355075324 527799649 /nfs/dbraw/zinc/79/96/49/527799649.db2.gz AXQAXXIKNSAKOR-INIZCTEOSA-N 2 2 269.392 3.350 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423376303 527823043 /nfs/dbraw/zinc/82/30/43/527823043.db2.gz UVQCBIMXBKXAKU-RAQJGYKDSA-N 2 2 294.389 3.189 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccoc1 ZINC000423326233 527847159 /nfs/dbraw/zinc/84/71/59/527847159.db2.gz QUJDYQVDONWETK-CABCVRRESA-N 2 2 250.386 3.084 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185982 527932878 /nfs/dbraw/zinc/93/28/78/527932878.db2.gz PBGKQRWDJLNLPI-XUJVJEKNSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185982 527932881 /nfs/dbraw/zinc/93/28/81/527932881.db2.gz PBGKQRWDJLNLPI-XUJVJEKNSA-N 2 2 266.816 3.331 20 0 CGADLP CC[NH+](CC)CCSCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000358864953 528163792 /nfs/dbraw/zinc/16/37/92/528163792.db2.gz WIMNJSRRDZMKGO-UHFFFAOYSA-N 2 2 277.437 3.446 20 0 CGADLP CC[NH+](CC)CCSCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000358864953 528163797 /nfs/dbraw/zinc/16/37/97/528163797.db2.gz WIMNJSRRDZMKGO-UHFFFAOYSA-N 2 2 277.437 3.446 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157207415 528292010 /nfs/dbraw/zinc/29/20/10/528292010.db2.gz AWXSLMRGFMSJKB-HOCLYGCPSA-N 2 2 280.431 3.323 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423386977 528420305 /nfs/dbraw/zinc/42/03/05/528420305.db2.gz SFTKEZFLVREWRE-UPJWGTAASA-N 2 2 291.464 3.376 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000423379131 528421661 /nfs/dbraw/zinc/42/16/61/528421661.db2.gz LRFMWEPDACCJRG-KGLIPLIRSA-N 2 2 256.393 3.488 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423374702 528422555 /nfs/dbraw/zinc/42/25/55/528422555.db2.gz ICMKYUFXSGJORV-NEPJUHHUSA-N 2 2 266.454 3.276 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000177796774 528466502 /nfs/dbraw/zinc/46/65/02/528466502.db2.gz ZQQKHEGRYWGAIH-FUHWJXTLSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000177796774 528466509 /nfs/dbraw/zinc/46/65/09/528466509.db2.gz ZQQKHEGRYWGAIH-FUHWJXTLSA-N 2 2 272.436 3.253 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423318974 528475491 /nfs/dbraw/zinc/47/54/91/528475491.db2.gz LGQZVISRDOEDFQ-IINYFYTJSA-N 2 2 282.815 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000423313838 528512827 /nfs/dbraw/zinc/51/28/27/528512827.db2.gz VCLAVFLGXKMAPA-ZDUSSCGKSA-N 2 2 260.381 3.391 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000423307004 528513340 /nfs/dbraw/zinc/51/33/40/528513340.db2.gz GBRNFOWETLKTLI-NSHDSACASA-N 2 2 269.458 3.225 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423308003 528514881 /nfs/dbraw/zinc/51/48/81/528514881.db2.gz IMTDVRKXAPVJPM-CQSZACIVSA-N 2 2 282.815 3.143 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000423262891 528578788 /nfs/dbraw/zinc/57/87/88/528578788.db2.gz NPXLIMYHYVCPMM-XJKSGUPXSA-N 2 2 278.444 3.022 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423302011 528821398 /nfs/dbraw/zinc/82/13/98/528821398.db2.gz UZWIOAXONBNWBX-GOEBONIOSA-N 2 2 276.424 3.316 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449110643 528824084 /nfs/dbraw/zinc/82/40/84/528824084.db2.gz FOPFHRQUSIFZDT-UHFFFAOYSA-N 2 2 282.472 3.187 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449110643 528824092 /nfs/dbraw/zinc/82/40/92/528824092.db2.gz FOPFHRQUSIFZDT-UHFFFAOYSA-N 2 2 282.472 3.187 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427855323 528875760 /nfs/dbraw/zinc/87/57/60/528875760.db2.gz SDBFYLAXNANKAB-QLFBSQMISA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422933156 529185277 /nfs/dbraw/zinc/18/52/77/529185277.db2.gz HFJJQBUEJGLVJH-KGLIPLIRSA-N 2 2 297.240 3.069 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C)c1 ZINC000368104391 529203799 /nfs/dbraw/zinc/20/37/99/529203799.db2.gz FSTWWXQIHZIOLK-HUUCEWRRSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C)c1 ZINC000368104391 529203801 /nfs/dbraw/zinc/20/38/01/529203801.db2.gz FSTWWXQIHZIOLK-HUUCEWRRSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423542313 529206921 /nfs/dbraw/zinc/20/69/21/529206921.db2.gz ASKLSXCGXQWOIS-DZGCQCFKSA-N 2 2 298.377 3.471 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000128506360 535065415 /nfs/dbraw/zinc/06/54/15/535065415.db2.gz QSECFDXBEZAHPR-MRXNPFEDSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000128506360 535065420 /nfs/dbraw/zinc/06/54/20/535065420.db2.gz QSECFDXBEZAHPR-MRXNPFEDSA-N 2 2 287.407 3.147 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904561 535819840 /nfs/dbraw/zinc/81/98/40/535819840.db2.gz GYIAKBVZBJMRQN-BRWVUGGUSA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904561 535819841 /nfs/dbraw/zinc/81/98/41/535819841.db2.gz GYIAKBVZBJMRQN-BRWVUGGUSA-N 3 2 295.515 3.137 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000125476935 535965230 /nfs/dbraw/zinc/96/52/30/535965230.db2.gz AJVBECFZNYRUIN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000125476935 535965240 /nfs/dbraw/zinc/96/52/40/535965240.db2.gz AJVBECFZNYRUIN-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@H](C[NH2+]Cc1ccccc1-c1ccccc1)[NH+](C)C ZINC000729682534 571929223 /nfs/dbraw/zinc/92/92/23/571929223.db2.gz ZZXXELBPRWWKKM-OAHLLOKOSA-N 2 2 268.404 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000519368846 572333351 /nfs/dbraw/zinc/33/33/51/572333351.db2.gz AISFCQYYFUXSPR-RUGDWHBFSA-N 2 2 272.436 3.456 20 0 CGADLP CC1(C)CCc2cc(C[NH2+]CCCn3cc[nH+]c3)ccc2O1 ZINC000731675770 572420764 /nfs/dbraw/zinc/42/07/64/572420764.db2.gz YQPQWVSMWCWRTO-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]([NH2+]Cc1ccoc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393658 572576043 /nfs/dbraw/zinc/57/60/43/572576043.db2.gz ZLCKBUSTKCKJIF-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000211724602 572616398 /nfs/dbraw/zinc/61/63/98/572616398.db2.gz WACHEPLWQAISLM-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000211724602 572616404 /nfs/dbraw/zinc/61/64/04/572616404.db2.gz WACHEPLWQAISLM-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP CCC[C@@H](C)CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000858346374 617617394 /nfs/dbraw/zinc/61/73/94/617617394.db2.gz LWLBNLAVZIOSNE-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926026518 617878094 /nfs/dbraw/zinc/87/80/94/617878094.db2.gz JXSIMTWLVZDYLU-IRXDYDNUSA-N 2 2 273.424 3.181 20 0 CGADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926026518 617878096 /nfs/dbraw/zinc/87/80/96/617878096.db2.gz JXSIMTWLVZDYLU-IRXDYDNUSA-N 2 2 273.424 3.181 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(CC(C)C)nc2)CC1 ZINC000891562042 618239290 /nfs/dbraw/zinc/23/92/90/618239290.db2.gz ORTGURWZEBKKQV-UHFFFAOYSA-N 2 2 289.467 3.196 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CC(C)C)nc2)CC1 ZINC000891562042 618239291 /nfs/dbraw/zinc/23/92/91/618239291.db2.gz ORTGURWZEBKKQV-UHFFFAOYSA-N 2 2 289.467 3.196 20 0 CGADLP COCCCC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000891725587 618261831 /nfs/dbraw/zinc/26/18/31/618261831.db2.gz RWEAFHCGTZKCCG-OAHLLOKOSA-N 2 2 291.439 3.186 20 0 CGADLP COCCCC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000891725587 618261848 /nfs/dbraw/zinc/26/18/48/618261848.db2.gz RWEAFHCGTZKCCG-OAHLLOKOSA-N 2 2 291.439 3.186 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925520659 619013102 /nfs/dbraw/zinc/01/31/02/619013102.db2.gz SBJBPTDBPQGWKN-YJBOKZPZSA-N 2 2 290.451 3.404 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925520652 619013373 /nfs/dbraw/zinc/01/33/73/619013373.db2.gz SBJBPTDBPQGWKN-MAUKXSAKSA-N 2 2 290.451 3.404 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925657652 619112751 /nfs/dbraw/zinc/11/27/51/619112751.db2.gz DKELSUUSOILSIX-KFKAGJAMSA-N 2 2 298.430 3.442 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000311230067 619123897 /nfs/dbraw/zinc/12/38/97/619123897.db2.gz ZKGZRWSMDLNITM-BXKDBHETSA-N 2 2 276.758 3.315 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000311230067 619123899 /nfs/dbraw/zinc/12/38/99/619123899.db2.gz ZKGZRWSMDLNITM-BXKDBHETSA-N 2 2 276.758 3.315 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893486887 619190250 /nfs/dbraw/zinc/19/02/50/619190250.db2.gz DRYQCWIDQYKAHE-KBPBESRZSA-N 2 2 292.423 3.031 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893486887 619190251 /nfs/dbraw/zinc/19/02/51/619190251.db2.gz DRYQCWIDQYKAHE-KBPBESRZSA-N 2 2 292.423 3.031 20 0 CGADLP Fc1cccc(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000893980850 619343872 /nfs/dbraw/zinc/34/38/72/619343872.db2.gz PREMCSWTMYLNDQ-RQOWECAXSA-N 2 2 285.366 3.373 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4c3NCCC4)CC2)[nH]1 ZINC000893979504 619343942 /nfs/dbraw/zinc/34/39/42/619343942.db2.gz BDDXRIFPFFNTQC-UHFFFAOYSA-N 2 2 296.418 3.147 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042620 619357144 /nfs/dbraw/zinc/35/71/44/619357144.db2.gz BXWAEIGLBNDDLY-STQMWFEESA-N 2 2 282.453 3.306 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042620 619357146 /nfs/dbraw/zinc/35/71/46/619357146.db2.gz BXWAEIGLBNDDLY-STQMWFEESA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042620 619357148 /nfs/dbraw/zinc/35/71/48/619357148.db2.gz BXWAEIGLBNDDLY-STQMWFEESA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)o2)C[C@@H]1C ZINC000894042620 619357150 /nfs/dbraw/zinc/35/71/50/619357150.db2.gz BXWAEIGLBNDDLY-STQMWFEESA-N 2 2 282.453 3.306 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050663 619359163 /nfs/dbraw/zinc/35/91/63/619359163.db2.gz SNYKQUPJGXQMDN-OCCSQVGLSA-N 2 2 282.453 3.164 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050663 619359164 /nfs/dbraw/zinc/35/91/64/619359164.db2.gz SNYKQUPJGXQMDN-OCCSQVGLSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050663 619359168 /nfs/dbraw/zinc/35/91/68/619359168.db2.gz SNYKQUPJGXQMDN-OCCSQVGLSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050663 619359170 /nfs/dbraw/zinc/35/91/70/619359170.db2.gz SNYKQUPJGXQMDN-OCCSQVGLSA-N 2 2 282.453 3.164 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050662 619359382 /nfs/dbraw/zinc/35/93/82/619359382.db2.gz SNYKQUPJGXQMDN-JSGCOSHPSA-N 2 2 282.453 3.164 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050662 619359383 /nfs/dbraw/zinc/35/93/83/619359383.db2.gz SNYKQUPJGXQMDN-JSGCOSHPSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050662 619359385 /nfs/dbraw/zinc/35/93/85/619359385.db2.gz SNYKQUPJGXQMDN-JSGCOSHPSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000894050662 619359387 /nfs/dbraw/zinc/35/93/87/619359387.db2.gz SNYKQUPJGXQMDN-JSGCOSHPSA-N 2 2 282.453 3.164 20 0 CGADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C2CCC2)[nH+]1 ZINC000894087524 619368643 /nfs/dbraw/zinc/36/86/43/619368643.db2.gz KPWBMXIBFKIYFC-GOOCMWNKSA-N 2 2 286.423 3.090 20 0 CGADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C2CCC2)[nH+]1 ZINC000894087524 619368646 /nfs/dbraw/zinc/36/86/46/619368646.db2.gz KPWBMXIBFKIYFC-GOOCMWNKSA-N 2 2 286.423 3.090 20 0 CGADLP Cc1cc(NC2CCC([NH+](C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000894246789 619440469 /nfs/dbraw/zinc/44/04/69/619440469.db2.gz QKCRSDCVMNGYTO-UHFFFAOYSA-N 2 2 288.439 3.337 20 0 CGADLP C[C@H](CC[NH2+]Cc1c(Cl)ccc2cccnc21)[NH+](C)C ZINC000895296239 619799267 /nfs/dbraw/zinc/79/92/67/619799267.db2.gz CUUYBPAXVLCDGQ-GFCCVEGCSA-N 2 2 291.826 3.318 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896197727 619964476 /nfs/dbraw/zinc/96/44/76/619964476.db2.gz FKKOSTWCOTXDGC-UHFFFAOYSA-N 2 2 271.364 3.060 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000067500593 620144105 /nfs/dbraw/zinc/14/41/05/620144105.db2.gz CSZPYPHEPJEVRS-ZDUSSCGKSA-N 2 2 269.348 3.055 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035013043 620224719 /nfs/dbraw/zinc/22/47/19/620224719.db2.gz FTWDVZCLOIYOPL-ARFHVFGLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000924648284 620555860 /nfs/dbraw/zinc/55/58/60/620555860.db2.gz JPNYBMRWMZCFKV-UONOGXRCSA-N 2 2 296.374 3.277 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667193 620559200 /nfs/dbraw/zinc/55/92/00/620559200.db2.gz JUMADTLMIMCHQL-ZJPYXAASSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000924667193 620559205 /nfs/dbraw/zinc/55/92/05/620559205.db2.gz JUMADTLMIMCHQL-ZJPYXAASSA-N 2 2 296.499 3.028 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)c[nH+]1 ZINC000924729726 620580617 /nfs/dbraw/zinc/58/06/17/620580617.db2.gz AQYAAGKEIFFYTD-FUHWJXTLSA-N 2 2 298.434 3.059 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902413371 621323087 /nfs/dbraw/zinc/32/30/87/621323087.db2.gz KSRDLHRLINZQOC-LLVKDONJSA-N 2 2 258.365 3.137 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000902475978 621326086 /nfs/dbraw/zinc/32/60/86/621326086.db2.gz KUPVXRVQILRQFZ-CODKJTEISA-N 2 2 293.414 3.292 20 0 CGADLP CNc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000902624281 621382682 /nfs/dbraw/zinc/38/26/82/621382682.db2.gz HPLWBWCTKMGMQQ-QGZVFWFLSA-N 2 2 287.451 3.225 20 0 CGADLP CNc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000902624281 621382687 /nfs/dbraw/zinc/38/26/87/621382687.db2.gz HPLWBWCTKMGMQQ-QGZVFWFLSA-N 2 2 287.451 3.225 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000902887262 621484573 /nfs/dbraw/zinc/48/45/73/621484573.db2.gz GKRDHWFVFGYOSF-FHLIZLRMSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000902887263 621485142 /nfs/dbraw/zinc/48/51/42/621485142.db2.gz GKRDHWFVFGYOSF-JCGIZDLHSA-N 2 2 299.418 3.481 20 0 CGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903042730 621540818 /nfs/dbraw/zinc/54/08/18/621540818.db2.gz ZWPINTYZULNPJU-ZTFGCOKTSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903024959 621542790 /nfs/dbraw/zinc/54/27/90/621542790.db2.gz QIHOCSGZSGEICS-ZOBUZTSGSA-N 2 2 299.418 3.074 20 0 CGADLP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085094 621564261 /nfs/dbraw/zinc/56/42/61/621564261.db2.gz PXOJPTCNTJIYSA-OFQRWUPVSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422267 621751663 /nfs/dbraw/zinc/75/16/63/621751663.db2.gz VZJWQPOPHGVZCL-DMRZNYOFSA-N 2 2 294.389 3.237 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422267 621751667 /nfs/dbraw/zinc/75/16/67/621751667.db2.gz VZJWQPOPHGVZCL-DMRZNYOFSA-N 2 2 294.389 3.237 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803205 621812259 /nfs/dbraw/zinc/81/22/59/621812259.db2.gz WVWZEMWLGNBIHM-HOCLYGCPSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803205 621812262 /nfs/dbraw/zinc/81/22/62/621812262.db2.gz WVWZEMWLGNBIHM-HOCLYGCPSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856166 621821158 /nfs/dbraw/zinc/82/11/58/621821158.db2.gz QRLKQTLCDZODSH-JSGCOSHPSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856166 621821160 /nfs/dbraw/zinc/82/11/60/621821160.db2.gz QRLKQTLCDZODSH-JSGCOSHPSA-N 2 2 284.325 3.019 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903893214 621827496 /nfs/dbraw/zinc/82/74/96/621827496.db2.gz SMKLFTNJJGFKOS-HOCLYGCPSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903893214 621827498 /nfs/dbraw/zinc/82/74/98/621827498.db2.gz SMKLFTNJJGFKOS-HOCLYGCPSA-N 2 2 282.378 3.023 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904334416 621908932 /nfs/dbraw/zinc/90/89/32/621908932.db2.gz VQBZWZLKFVXOSW-UHFFFAOYSA-N 2 2 272.314 3.077 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000904459546 621924246 /nfs/dbraw/zinc/92/42/46/621924246.db2.gz UXCCIGYSEHTCBQ-GDAAHCPNSA-N 2 2 278.399 3.004 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906590021 622251552 /nfs/dbraw/zinc/25/15/52/622251552.db2.gz MMZCTTONATUJEI-JKSUJKDBSA-N 2 2 276.399 3.098 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000921794478 625877824 /nfs/dbraw/zinc/87/78/24/625877824.db2.gz MQOWDLMHTVMYKK-MGPQQGTHSA-N 2 2 279.453 3.024 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000764889284 627232074 /nfs/dbraw/zinc/23/20/74/627232074.db2.gz LZXBSFPNXYVWOA-KBPBESRZSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1 ZINC000765260717 627244218 /nfs/dbraw/zinc/24/42/18/627244218.db2.gz RHKMBTSIFNRWDK-CYBMUJFWSA-N 2 2 269.458 3.173 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)cc1 ZINC000766267080 627307549 /nfs/dbraw/zinc/30/75/49/627307549.db2.gz DPXOUTDLBBPNJK-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)cc1 ZINC000766267080 627307552 /nfs/dbraw/zinc/30/75/52/627307552.db2.gz DPXOUTDLBBPNJK-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270315 627308638 /nfs/dbraw/zinc/30/86/38/627308638.db2.gz QIBPSGXFGYHWEC-HZPDHXFCSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270315 627308642 /nfs/dbraw/zinc/30/86/42/627308642.db2.gz QIBPSGXFGYHWEC-HZPDHXFCSA-N 2 2 298.434 3.007 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000769875070 627586248 /nfs/dbraw/zinc/58/62/48/627586248.db2.gz NRRDGDGLLWGFRN-GFCCVEGCSA-N 2 2 291.439 3.070 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771174813 627688526 /nfs/dbraw/zinc/68/85/26/627688526.db2.gz BOYYEOZRTCKVJB-AWEZNQCLSA-N 2 2 293.842 3.185 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H](C)C1 ZINC000771969469 627750987 /nfs/dbraw/zinc/75/09/87/627750987.db2.gz LTNXGCYTHAZLTK-MFKMUULPSA-N 2 2 272.845 3.221 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@H](C)C1 ZINC000771969469 627750990 /nfs/dbraw/zinc/75/09/90/627750990.db2.gz LTNXGCYTHAZLTK-MFKMUULPSA-N 2 2 272.845 3.221 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C(C)C)cc1 ZINC000774444537 627991180 /nfs/dbraw/zinc/99/11/80/627991180.db2.gz SBJHQXBQOHNBBH-CRAIPNDOSA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C(C)C)cc1 ZINC000774444537 627991182 /nfs/dbraw/zinc/99/11/82/627991182.db2.gz SBJHQXBQOHNBBH-CRAIPNDOSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000774443195 627991365 /nfs/dbraw/zinc/99/13/65/627991365.db2.gz ODOOXAZAVWXEST-CXAGYDPISA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000774443195 627991369 /nfs/dbraw/zinc/99/13/69/627991369.db2.gz ODOOXAZAVWXEST-CXAGYDPISA-N 2 2 276.399 3.351 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CCCc1c(F)cccc1Cl ZINC000775049402 628056741 /nfs/dbraw/zinc/05/67/41/628056741.db2.gz YLACZBWHWCXBDI-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]CCCc1c(F)cccc1Cl ZINC000775049402 628056743 /nfs/dbraw/zinc/05/67/43/628056743.db2.gz YLACZBWHWCXBDI-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776163185 628173105 /nfs/dbraw/zinc/17/31/05/628173105.db2.gz QAAINUZQNZWJKV-GUYCJALGSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776163185 628173108 /nfs/dbraw/zinc/17/31/08/628173108.db2.gz QAAINUZQNZWJKV-GUYCJALGSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000776802403 628232757 /nfs/dbraw/zinc/23/27/57/628232757.db2.gz HUXGFXPHGCPYQT-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000776802403 628232759 /nfs/dbraw/zinc/23/27/59/628232759.db2.gz HUXGFXPHGCPYQT-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000780292460 628479348 /nfs/dbraw/zinc/47/93/48/628479348.db2.gz DFZXJSGWTVKOKV-INIZCTEOSA-N 2 2 281.403 3.250 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@H+]3CCC[C@H]3C)ccc2n1 ZINC000782530103 628652510 /nfs/dbraw/zinc/65/25/10/628652510.db2.gz BGSGWDQRISGCET-OAHLLOKOSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@@H+]3CCC[C@H]3C)ccc2n1 ZINC000782530103 628652512 /nfs/dbraw/zinc/65/25/12/628652512.db2.gz BGSGWDQRISGCET-OAHLLOKOSA-N 2 2 283.419 3.117 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000783242704 628693108 /nfs/dbraw/zinc/69/31/08/628693108.db2.gz GXIFTUZQIHZPSD-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(F)c1 ZINC000783242704 628693109 /nfs/dbraw/zinc/69/31/09/628693109.db2.gz GXIFTUZQIHZPSD-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279655 628697660 /nfs/dbraw/zinc/69/76/60/628697660.db2.gz ZUEGUNCVRHZQOR-KDOFPFPSSA-N 2 2 287.451 3.427 20 0 CGADLP CN(c1ccc([NH2+]CC2(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000785431329 628861661 /nfs/dbraw/zinc/86/16/61/628861661.db2.gz FPFPKYXEUPKRCR-UHFFFAOYSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000788989079 629094660 /nfs/dbraw/zinc/09/46/60/629094660.db2.gz VBHZTVHYCSWSDC-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC(F)(F)CC1 ZINC000788989079 629094661 /nfs/dbraw/zinc/09/46/61/629094661.db2.gz VBHZTVHYCSWSDC-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1cccc(C)c1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796321326 629763974 /nfs/dbraw/zinc/76/39/74/629763974.db2.gz UPRBULHGPMQMRG-UHFFFAOYSA-N 2 2 289.448 3.111 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865404845 630106149 /nfs/dbraw/zinc/10/61/49/630106149.db2.gz UKBHQTKTZMJEFS-LBPRGKRZSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865404845 630106151 /nfs/dbraw/zinc/10/61/51/630106151.db2.gz UKBHQTKTZMJEFS-LBPRGKRZSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(Cl)cncc1Cl)Cn1cc[nH+]c1 ZINC000865433455 630122308 /nfs/dbraw/zinc/12/23/08/630122308.db2.gz CFGZPNMYSPSDGK-JTQLQIEISA-N 2 2 299.205 3.011 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000815584701 631800850 /nfs/dbraw/zinc/80/08/50/631800850.db2.gz MPWDWSPCBSNEMJ-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000815584701 631800853 /nfs/dbraw/zinc/80/08/53/631800853.db2.gz MPWDWSPCBSNEMJ-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817887988 632228923 /nfs/dbraw/zinc/22/89/23/632228923.db2.gz IAOLGJFKLYHUKK-CYBMUJFWSA-N 2 2 285.391 3.132 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817954688 632248684 /nfs/dbraw/zinc/24/86/84/632248684.db2.gz HDHFREXSFZSYOC-JSGCOSHPSA-N 2 2 266.454 3.196 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000866230067 633035942 /nfs/dbraw/zinc/03/59/42/633035942.db2.gz WKEARLDXIWAPHK-INIZCTEOSA-N 2 2 297.446 3.291 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000866248782 633044319 /nfs/dbraw/zinc/04/43/19/633044319.db2.gz FRJFNSAPRYQVHC-IRXDYDNUSA-N 2 2 289.467 3.113 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866253057 633047092 /nfs/dbraw/zinc/04/70/92/633047092.db2.gz DPYDVPSCMDESRA-MRXNPFEDSA-N 2 2 299.462 3.486 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1cncc2ccccc21 ZINC000866253057 633047098 /nfs/dbraw/zinc/04/70/98/633047098.db2.gz DPYDVPSCMDESRA-MRXNPFEDSA-N 2 2 299.462 3.486 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000824097835 633194864 /nfs/dbraw/zinc/19/48/64/633194864.db2.gz FEZHTQBPPYIFIG-KLHKWILBSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000824097835 633194867 /nfs/dbraw/zinc/19/48/67/633194867.db2.gz FEZHTQBPPYIFIG-KLHKWILBSA-N 2 2 294.483 3.331 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+](Cc3csc(Cl)n3)C2)CC1 ZINC000829443696 633733404 /nfs/dbraw/zinc/73/34/04/633733404.db2.gz ADJGNKDSQBRTIE-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3csc(Cl)n3)C2)CC1 ZINC000829443696 633733410 /nfs/dbraw/zinc/73/34/10/633733410.db2.gz ADJGNKDSQBRTIE-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCOC1 ZINC000872027436 633947009 /nfs/dbraw/zinc/94/70/09/633947009.db2.gz JNIAZTWVQWBORQ-AEFFLSMTSA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+](C)C(C)C ZINC000872030884 633949888 /nfs/dbraw/zinc/94/98/88/633949888.db2.gz KGLJISMPEIEESN-NSHDSACASA-N 2 2 254.340 3.037 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+](C)C(C)C ZINC000872030884 633949891 /nfs/dbraw/zinc/94/98/91/633949891.db2.gz KGLJISMPEIEESN-NSHDSACASA-N 2 2 254.340 3.037 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(O)c1F ZINC000872066637 633988753 /nfs/dbraw/zinc/98/87/53/633988753.db2.gz OTHNGKSDJKQTHR-ZDUSSCGKSA-N 2 2 294.414 3.304 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000872073607 633995970 /nfs/dbraw/zinc/99/59/70/633995970.db2.gz SSGWYALWAAYGIZ-RWMBFGLXSA-N 2 2 261.413 3.071 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000872090257 634015858 /nfs/dbraw/zinc/01/58/58/634015858.db2.gz OSHRWTQIEWYCEG-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000872090257 634015859 /nfs/dbraw/zinc/01/58/59/634015859.db2.gz OSHRWTQIEWYCEG-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872107754 634031512 /nfs/dbraw/zinc/03/15/12/634031512.db2.gz SEQPUNBDHCAFPN-RHSMWYFYSA-N 2 2 299.418 3.338 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229934 634293312 /nfs/dbraw/zinc/29/33/12/634293312.db2.gz JAWQQHZRKJXRJO-HZPDHXFCSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000873232095 634294288 /nfs/dbraw/zinc/29/42/88/634294288.db2.gz VOXTYUWBFYFREZ-GJZGRUSLSA-N 2 2 264.800 3.023 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000876959765 634938446 /nfs/dbraw/zinc/93/84/46/634938446.db2.gz XGOGMKURULHTFO-UHFFFAOYSA-N 2 2 271.408 3.112 20 0 CGADLP CSC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000876991007 634945130 /nfs/dbraw/zinc/94/51/30/634945130.db2.gz QJKKZXOKFVLVLP-UHFFFAOYSA-N 2 2 289.448 3.494 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742303 635177747 /nfs/dbraw/zinc/17/77/47/635177747.db2.gz OUJWJHQRRGEEPW-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742303 635177755 /nfs/dbraw/zinc/17/77/55/635177755.db2.gz OUJWJHQRRGEEPW-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742303 635177761 /nfs/dbraw/zinc/17/77/61/635177761.db2.gz OUJWJHQRRGEEPW-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742303 635177767 /nfs/dbraw/zinc/17/77/67/635177767.db2.gz OUJWJHQRRGEEPW-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880134654 635920342 /nfs/dbraw/zinc/92/03/42/635920342.db2.gz OFFWGTNCEKRZKG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880134654 635920346 /nfs/dbraw/zinc/92/03/46/635920346.db2.gz OFFWGTNCEKRZKG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134654 635920350 /nfs/dbraw/zinc/92/03/50/635920350.db2.gz OFFWGTNCEKRZKG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134654 635920355 /nfs/dbraw/zinc/92/03/55/635920355.db2.gz OFFWGTNCEKRZKG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000880474713 636003280 /nfs/dbraw/zinc/00/32/80/636003280.db2.gz KXQXESIBRLACLU-UHFFFAOYSA-N 2 2 278.362 3.279 20 0 CGADLP CC1(C)CO[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569902 636022909 /nfs/dbraw/zinc/02/29/09/636022909.db2.gz LCIOTQQZOOZHMX-SJORKVTESA-N 2 2 299.418 3.029 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC2CC=CC2)c2ccccc2)c[nH+]1 ZINC000880569421 636023163 /nfs/dbraw/zinc/02/31/63/636023163.db2.gz KJEDJGOHHTUKQE-QGZVFWFLSA-N 2 2 267.376 3.180 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000883152803 636558661 /nfs/dbraw/zinc/55/86/61/636558661.db2.gz HTWZIDIHVUGYGX-UHFFFAOYSA-N 2 2 295.839 3.132 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848569214 636611691 /nfs/dbraw/zinc/61/16/91/636611691.db2.gz XMDCLCHXRLSVCC-JONQDZQNSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848569214 636611697 /nfs/dbraw/zinc/61/16/97/636611697.db2.gz XMDCLCHXRLSVCC-JONQDZQNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000848568782 636611792 /nfs/dbraw/zinc/61/17/92/636611792.db2.gz QWFOHIHTZNIMGD-NWANDNLSSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000848568782 636611796 /nfs/dbraw/zinc/61/17/96/636611796.db2.gz QWFOHIHTZNIMGD-NWANDNLSSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345459 636690585 /nfs/dbraw/zinc/69/05/85/636690585.db2.gz COOSOKVIVWDFIE-KSSFIOAISA-N 2 2 285.435 3.181 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345459 636690588 /nfs/dbraw/zinc/69/05/88/636690588.db2.gz COOSOKVIVWDFIE-KSSFIOAISA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387726 636729658 /nfs/dbraw/zinc/72/96/58/636729658.db2.gz CVYBTABEEQXKPM-FVQBIDKESA-N 2 2 255.365 3.013 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850491917 637090100 /nfs/dbraw/zinc/09/01/00/637090100.db2.gz BKADMMVBOVXROD-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850491917 637090103 /nfs/dbraw/zinc/09/01/03/637090103.db2.gz BKADMMVBOVXROD-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000885951448 637328004 /nfs/dbraw/zinc/32/80/04/637328004.db2.gz ITDMOVKBFQADLN-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000885967255 637336625 /nfs/dbraw/zinc/33/66/25/637336625.db2.gz KYLKSBAQJOLIBU-CVEARBPZSA-N 2 2 291.439 3.211 20 0 CGADLP c1cn(-c2csc(C[NH2+]C3(C4CC4)CCC3)c2)c[nH+]1 ZINC000886391893 637523949 /nfs/dbraw/zinc/52/39/49/637523949.db2.gz DZOFNKINKGURFO-UHFFFAOYSA-N 2 2 273.405 3.356 20 0 CGADLP CCc1ccc([C@@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924538360 638355077 /nfs/dbraw/zinc/35/50/77/638355077.db2.gz IJAHQBKUCIWXKA-LJQANCHMSA-N 2 2 297.446 3.275 20 0 CGADLP CC(C)(C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000924541697 638356392 /nfs/dbraw/zinc/35/63/92/638356392.db2.gz MQFAPJNWRISQLD-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659698 638385120 /nfs/dbraw/zinc/38/51/20/638385120.db2.gz FOQDLMPCCCMLEE-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659698 638385123 /nfs/dbraw/zinc/38/51/23/638385123.db2.gz FOQDLMPCCCMLEE-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000924829587 638410348 /nfs/dbraw/zinc/41/03/48/638410348.db2.gz RARBYAJGJXCMRQ-CQSZACIVSA-N 2 2 287.407 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000924829587 638410362 /nfs/dbraw/zinc/41/03/62/638410362.db2.gz RARBYAJGJXCMRQ-CQSZACIVSA-N 2 2 287.407 3.366 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)c1ccccc1 ZINC000925057316 638445362 /nfs/dbraw/zinc/44/53/62/638445362.db2.gz FRIXVQIVMFAKJH-JYYAWHABSA-N 2 2 290.451 3.129 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000925086749 638448684 /nfs/dbraw/zinc/44/86/84/638448684.db2.gz RWUATUJGORRQQG-CJNGLKHVSA-N 2 2 293.455 3.107 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(O)cc(F)c1 ZINC000925231270 638481128 /nfs/dbraw/zinc/48/11/28/638481128.db2.gz HAUFKURSLAHOIJ-LBPRGKRZSA-N 2 2 289.354 3.079 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(O)cc(F)c1 ZINC000925231269 638481241 /nfs/dbraw/zinc/48/12/41/638481241.db2.gz HAUFKURSLAHOIJ-GFCCVEGCSA-N 2 2 289.354 3.079 20 0 CGADLP c1c(C[NH2+][C@H]2CC[NH2+]C23CCC3)sc2c1CCCC2 ZINC000925510465 638515421 /nfs/dbraw/zinc/51/54/21/638515421.db2.gz XFPYXZYZVSPJJV-HNNXBMFYSA-N 2 2 276.449 3.001 20 0 CGADLP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cc2ccccc2o1 ZINC000925645519 638555287 /nfs/dbraw/zinc/55/52/87/638555287.db2.gz QHLKFHPJTOMOLX-KLUDYHNTSA-N 2 2 282.387 3.080 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925648482 638557076 /nfs/dbraw/zinc/55/70/76/638557076.db2.gz UZYJOVCWLRQUAJ-UXIGCNINSA-N 2 2 289.448 3.233 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925663686 638562666 /nfs/dbraw/zinc/56/26/66/638562666.db2.gz WLKMXJQAMXKCPN-LIRRHRJNSA-N 2 2 293.414 3.389 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000925751984 638596494 /nfs/dbraw/zinc/59/64/94/638596494.db2.gz SQORDTOOSMPTOH-HNNXBMFYSA-N 2 2 299.443 3.038 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC000925751984 638596504 /nfs/dbraw/zinc/59/65/04/638596504.db2.gz SQORDTOOSMPTOH-HNNXBMFYSA-N 2 2 299.443 3.038 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857916918 638604079 /nfs/dbraw/zinc/60/40/79/638604079.db2.gz UIWIKINRXWULIG-CQSZACIVSA-N 2 2 295.858 3.290 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857916918 638604081 /nfs/dbraw/zinc/60/40/81/638604081.db2.gz UIWIKINRXWULIG-CQSZACIVSA-N 2 2 295.858 3.290 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](C1CCC1)C1CCCC1)C2 ZINC000926451005 638772767 /nfs/dbraw/zinc/77/27/67/638772767.db2.gz VCLHIALYLYXOEH-WMLDXEAASA-N 2 2 273.424 3.216 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)[C@@H]1c1cccnc1 ZINC000926581004 638787738 /nfs/dbraw/zinc/78/77/38/638787738.db2.gz DICGIYZPRBNIBF-PMYRRZGNSA-N 2 2 299.462 3.243 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)[C@@H]1c1cccnc1 ZINC000926581004 638787740 /nfs/dbraw/zinc/78/77/40/638787740.db2.gz DICGIYZPRBNIBF-PMYRRZGNSA-N 2 2 299.462 3.243 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@]1(F)Cl ZINC000926653018 638795081 /nfs/dbraw/zinc/79/50/81/638795081.db2.gz ZWFXWIAUKNELSM-QPSCCSFWSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@]1(F)Cl ZINC000926653018 638795083 /nfs/dbraw/zinc/79/50/83/638795083.db2.gz ZWFXWIAUKNELSM-QPSCCSFWSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926714592 638802702 /nfs/dbraw/zinc/80/27/02/638802702.db2.gz ODWGEFVWPBFFGX-HNSVSWJLSA-N 2 2 282.497 3.123 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926801564 638813813 /nfs/dbraw/zinc/81/38/13/638813813.db2.gz NMSPLSSGGPYUAW-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926801564 638813814 /nfs/dbraw/zinc/81/38/14/638813814.db2.gz NMSPLSSGGPYUAW-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+](CCSC1CCCCC1)CC2 ZINC000931517481 639163743 /nfs/dbraw/zinc/16/37/43/639163743.db2.gz JFIMIZFARJQJMJ-UHFFFAOYSA-N 2 2 291.464 3.088 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+](CCSC1CCCCC1)CC2 ZINC000931517481 639163746 /nfs/dbraw/zinc/16/37/46/639163746.db2.gz JFIMIZFARJQJMJ-UHFFFAOYSA-N 2 2 291.464 3.088 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931707109 639193579 /nfs/dbraw/zinc/19/35/79/639193579.db2.gz NDPBTKUXNSLKCP-HYVNUMGLSA-N 2 2 269.392 3.260 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 ZINC000252935595 640866501 /nfs/dbraw/zinc/86/65/01/640866501.db2.gz XEXHNEXZYZDARW-HRCADAONSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1nc(N[C@H]2C[NH2+]Cc3ccsc32)cc(C(C)C)[nH+]1 ZINC001155559452 805592790 /nfs/dbraw/zinc/59/27/90/805592790.db2.gz OQDPWUJZESONHE-ZDUSSCGKSA-N 2 2 288.420 3.226 20 0 CGADLP Cc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)nc(C(C)C)[nH+]1 ZINC001155564937 805593815 /nfs/dbraw/zinc/59/38/15/805593815.db2.gz JTBHSUOJJGXXCI-GFCCVEGCSA-N 2 2 288.420 3.226 20 0 CGADLP Cc1cccc2c(C)cc(N(CCC[NH3+])C(C)C)[nH+]c12 ZINC001156118538 805654864 /nfs/dbraw/zinc/65/48/64/805654864.db2.gz PGIFMCZBPNTTRB-UHFFFAOYSA-N 2 2 271.408 3.415 20 0 CGADLP CSc1cc[nH+]c(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001156502025 805704984 /nfs/dbraw/zinc/70/49/84/805704984.db2.gz DQOYIMCTYZKGHM-UHFFFAOYSA-N 2 2 279.453 3.336 20 0 CGADLP Cc1cc(C)c(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)o1 ZINC001252589325 806077680 /nfs/dbraw/zinc/07/76/80/806077680.db2.gz LZXDMNVOWAIVJU-UHFFFAOYSA-N 2 2 296.330 3.038 20 0 CGADLP CN(C)c1ccc[nH+]c1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159365758 806087672 /nfs/dbraw/zinc/08/76/72/806087672.db2.gz NLZDTDKATORZKA-UHFFFAOYSA-N 2 2 270.380 3.085 20 0 CGADLP Cc1cc(Oc2ccc(NC3=CCC[NH2+]C3)cc2)cc[nH+]1 ZINC001159813455 806179262 /nfs/dbraw/zinc/17/92/62/806179262.db2.gz KMYFIZXFXWFTIF-UHFFFAOYSA-N 2 2 281.359 3.471 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc2c(c1)C[NH2+]CC2(C)C ZINC001160286108 806250608 /nfs/dbraw/zinc/25/06/08/806250608.db2.gz DDHSHXRIFTZXDT-UHFFFAOYSA-N 2 2 283.375 3.215 20 0 CGADLP Cc1nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])c(C)c(C)[nH+]1 ZINC001160665191 806293238 /nfs/dbraw/zinc/29/32/38/806293238.db2.gz JIUFATPGHQIMAT-CYBMUJFWSA-N 2 2 298.434 3.003 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccoc2)[nH+]1 ZINC001254019819 806330144 /nfs/dbraw/zinc/33/01/44/806330144.db2.gz WZOAJIHDSNQRLQ-HNNXBMFYSA-N 2 2 271.364 3.060 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccoc2)[nH+]1 ZINC001254019819 806330151 /nfs/dbraw/zinc/33/01/51/806330151.db2.gz WZOAJIHDSNQRLQ-HNNXBMFYSA-N 2 2 271.364 3.060 20 0 CGADLP CC/C(C)=C(/C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001254383614 806390465 /nfs/dbraw/zinc/39/04/65/806390465.db2.gz VEFHKESYVRYWKC-QXMHVHEDSA-N 2 2 284.363 3.261 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ncccc1C[NH+]1CCCC1 ZINC001161569378 806394016 /nfs/dbraw/zinc/39/40/16/806394016.db2.gz IPGGPBFLCHHUBV-UHFFFAOYSA-N 2 2 299.422 3.067 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830572 806492021 /nfs/dbraw/zinc/49/20/21/806492021.db2.gz HBXCBWGRYYTPJS-FUHWJXTLSA-N 2 2 270.420 3.138 20 0 CGADLP CCCC[C@H](CC)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841531 806496084 /nfs/dbraw/zinc/49/60/84/806496084.db2.gz XYDUGSDBNVDAEO-HOCLYGCPSA-N 2 2 252.446 3.277 20 0 CGADLP OCCCCCCCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254849156 806498635 /nfs/dbraw/zinc/49/86/35/806498635.db2.gz RJWCQXMFLFNCDC-SFHVURJKSA-N 2 2 296.499 3.173 20 0 CGADLP Cc1cc2ccccc2c(N[C@]2(C)CCC[N@@H+](C)C2)[nH+]1 ZINC001162337488 806556546 /nfs/dbraw/zinc/55/65/46/806556546.db2.gz PJPATIMOVQKAIN-QGZVFWFLSA-N 2 2 269.392 3.439 20 0 CGADLP Cc1cc2ccccc2c(N[C@]2(C)CCC[N@H+](C)C2)[nH+]1 ZINC001162337488 806556551 /nfs/dbraw/zinc/55/65/51/806556551.db2.gz PJPATIMOVQKAIN-QGZVFWFLSA-N 2 2 269.392 3.439 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001162390521 806573328 /nfs/dbraw/zinc/57/33/28/806573328.db2.gz GTIIOYZNSBUPGK-UWVGGRQHSA-N 2 2 273.302 3.091 20 0 CGADLP COc1ccc2cc(NC[C@H]3CCC[NH2+]C[C@H]3C)[nH+]cc2c1 ZINC001162452245 806587415 /nfs/dbraw/zinc/58/74/15/806587415.db2.gz CUZHNHACXXQYFY-UKRRQHHQSA-N 2 2 299.418 3.291 20 0 CGADLP CCCC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001255313901 806606574 /nfs/dbraw/zinc/60/65/74/806606574.db2.gz RVLRPDRTQUEWEI-LLVKDONJSA-N 2 2 255.431 3.135 20 0 CGADLP Cc1c[nH+]cc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1C ZINC001162777116 806663338 /nfs/dbraw/zinc/66/33/38/806663338.db2.gz LAZUTXNSZCIACW-LBPRGKRZSA-N 2 2 266.348 3.057 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000067967034 798911130 /nfs/dbraw/zinc/91/11/30/798911130.db2.gz QDSDQLDJEQWGLG-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157261240 799068237 /nfs/dbraw/zinc/06/82/37/799068237.db2.gz RLRDINVSXCNWMS-OAUYIBNBSA-N 2 2 282.387 3.491 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380008775 799357411 /nfs/dbraw/zinc/35/74/11/799357411.db2.gz FYTNLMPIFGWBMZ-WMLDXEAASA-N 2 2 283.375 3.216 20 0 CGADLP Cc1nc(NCC2([NH3+])CCC2)cc(C2CCCCC2)[nH+]1 ZINC001163326420 806740214 /nfs/dbraw/zinc/74/02/14/806740214.db2.gz AQSVHSFKHDPZDC-UHFFFAOYSA-N 2 2 274.412 3.126 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c(C)s1 ZINC000381088746 799371856 /nfs/dbraw/zinc/37/18/56/799371856.db2.gz WQOMKLWIXVHCEF-FPWZVUCASA-N 2 2 276.449 3.012 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795722 799387768 /nfs/dbraw/zinc/38/77/68/799387768.db2.gz SXAQUAJLUWEIRK-IINYFYTJSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795722 799387770 /nfs/dbraw/zinc/38/77/70/799387770.db2.gz SXAQUAJLUWEIRK-IINYFYTJSA-N 2 2 277.799 3.133 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001255781584 806748304 /nfs/dbraw/zinc/74/83/04/806748304.db2.gz PPCFCVFPZNQTDQ-AEFFLSMTSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001255781584 806748309 /nfs/dbraw/zinc/74/83/09/806748309.db2.gz PPCFCVFPZNQTDQ-AEFFLSMTSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390541144 799471707 /nfs/dbraw/zinc/47/17/07/799471707.db2.gz RCTVEHUDWBHLGT-AEFFLSMTSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390541144 799471710 /nfs/dbraw/zinc/47/17/10/799471710.db2.gz RCTVEHUDWBHLGT-AEFFLSMTSA-N 2 2 298.430 3.465 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527998689 799669439 /nfs/dbraw/zinc/66/94/39/799669439.db2.gz FFKMOWQNTMMUOR-JYJNAYRXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527998689 799669442 /nfs/dbraw/zinc/66/94/42/799669442.db2.gz FFKMOWQNTMMUOR-JYJNAYRXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC001255864786 806773759 /nfs/dbraw/zinc/77/37/59/806773759.db2.gz LDKHXMSSPPMQAL-YOEHRIQHSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC001255864786 806773761 /nfs/dbraw/zinc/77/37/61/806773761.db2.gz LDKHXMSSPPMQAL-YOEHRIQHSA-N 2 2 278.415 3.077 20 0 CGADLP CN(CCC[NH+](C)C)c1[nH+]ccc2cc(Cl)ccc21 ZINC001163596198 806790253 /nfs/dbraw/zinc/79/02/53/806790253.db2.gz WNAPJMHNDLRHFE-UHFFFAOYSA-N 2 2 277.799 3.276 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC001255942425 806791444 /nfs/dbraw/zinc/79/14/44/806791444.db2.gz GHIJNBRJFGTVFK-CABCVRRESA-N 2 2 263.429 3.161 20 0 CGADLP C1CC1[NH+]1CCC([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001256075586 806813127 /nfs/dbraw/zinc/81/31/27/806813127.db2.gz OHFVOAUECKVZIZ-UHFFFAOYSA-N 2 2 262.441 3.269 20 0 CGADLP c1ccc([C@@H]2CC[N@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078723 806815548 /nfs/dbraw/zinc/81/55/48/806815548.db2.gz DDGSIVQTUYKNRQ-KRWDZBQOSA-N 2 2 256.393 3.060 20 0 CGADLP c1ccc([C@@H]2CC[N@@H+]2C2CC[NH+](C3CC3)CC2)cc1 ZINC001256078723 806815556 /nfs/dbraw/zinc/81/55/56/806815556.db2.gz DDGSIVQTUYKNRQ-KRWDZBQOSA-N 2 2 256.393 3.060 20 0 CGADLP CC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256080988 806815833 /nfs/dbraw/zinc/81/58/33/806815833.db2.gz KMTLAXALUWWWEI-UHFFFAOYSA-N 2 2 276.399 3.274 20 0 CGADLP CC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256080988 806815842 /nfs/dbraw/zinc/81/58/42/806815842.db2.gz KMTLAXALUWWWEI-UHFFFAOYSA-N 2 2 276.399 3.274 20 0 CGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000825307246 800474638 /nfs/dbraw/zinc/47/46/38/800474638.db2.gz NFWJMVUZVXLMHZ-ZDUSSCGKSA-N 2 2 291.439 3.259 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001256210061 806849430 /nfs/dbraw/zinc/84/94/30/806849430.db2.gz ZSDJLZMOSLWRPB-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C2CCC2)CC1 ZINC001256210061 806849438 /nfs/dbraw/zinc/84/94/38/806849438.db2.gz ZSDJLZMOSLWRPB-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256209847 806849792 /nfs/dbraw/zinc/84/97/92/806849792.db2.gz AXYXESYZVAZPKV-KRWDZBQOSA-N 2 2 258.409 3.090 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C)CC1 ZINC001256209847 806849799 /nfs/dbraw/zinc/84/97/99/806849799.db2.gz AXYXESYZVAZPKV-KRWDZBQOSA-N 2 2 258.409 3.090 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]2CF)CC[N@@H+]1Cc1ccccc1 ZINC001256557225 806914570 /nfs/dbraw/zinc/91/45/70/806914570.db2.gz KSAJVFKBGNCCOI-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H]2CF)CC[N@H+]1Cc1ccccc1 ZINC001256557225 806914575 /nfs/dbraw/zinc/91/45/75/806914575.db2.gz KSAJVFKBGNCCOI-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557225 806914579 /nfs/dbraw/zinc/91/45/79/806914579.db2.gz KSAJVFKBGNCCOI-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557225 806914583 /nfs/dbraw/zinc/91/45/83/806914583.db2.gz KSAJVFKBGNCCOI-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575485 806920718 /nfs/dbraw/zinc/92/07/18/806920718.db2.gz OGYQACXUZCRNSI-UHFFFAOYSA-N 2 2 295.858 3.430 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256575485 806920725 /nfs/dbraw/zinc/92/07/25/806920725.db2.gz OGYQACXUZCRNSI-UHFFFAOYSA-N 2 2 295.858 3.430 20 0 CGADLP CC[NH+]1CCC(N(C)c2[nH+]ccc3ccc(OC)cc32)CC1 ZINC001165067047 806967759 /nfs/dbraw/zinc/96/77/59/806967759.db2.gz ALEFISGEPHEHRV-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC001116288101 802323660 /nfs/dbraw/zinc/32/36/60/802323660.db2.gz CHWAFWNZQMWVIH-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC001116288101 802323667 /nfs/dbraw/zinc/32/36/67/802323667.db2.gz CHWAFWNZQMWVIH-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP FC(F)(F)CCC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001119940891 802710936 /nfs/dbraw/zinc/71/09/36/802710936.db2.gz PMJBHDDRCMVFTO-UHFFFAOYSA-N 2 2 283.297 3.304 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC001120349204 802740380 /nfs/dbraw/zinc/74/03/80/802740380.db2.gz RZTPBFZWBNZVGN-UHFFFAOYSA-N 2 2 292.423 3.175 20 0 CGADLP C(=C/C1CC[NH2+]CC1)\c1cc[nH+]c(N2CCCCC2)c1 ZINC001243893552 803063840 /nfs/dbraw/zinc/06/38/40/803063840.db2.gz PRNVZFKPGQGQLD-SNAWJCMRSA-N 2 2 271.408 3.085 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2c2nccs2)CCCC1 ZINC001208185848 813735808 /nfs/dbraw/zinc/73/58/08/813735808.db2.gz JDOIYCLDZQCPLM-AWEZNQCLSA-N 2 2 293.480 3.402 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2c2nccs2)CCCC1 ZINC001208185848 813735814 /nfs/dbraw/zinc/73/58/14/813735814.db2.gz JDOIYCLDZQCPLM-AWEZNQCLSA-N 2 2 293.480 3.402 20 0 CGADLP [NH3+]CCc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245197309 803661146 /nfs/dbraw/zinc/66/11/46/803661146.db2.gz PXVPLUGXMQEYBC-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)c2ccccc12 ZINC001138062764 803844981 /nfs/dbraw/zinc/84/49/81/803844981.db2.gz ZLDCQOFRZZBJLS-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)c2ccccc12 ZINC001138062764 803844990 /nfs/dbraw/zinc/84/49/90/803844990.db2.gz ZLDCQOFRZZBJLS-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP Cc1c(F)ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1F ZINC001245692431 803913321 /nfs/dbraw/zinc/91/33/21/803913321.db2.gz STWPJJQNEISHBQ-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP CCCc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)s1 ZINC001138528903 803960802 /nfs/dbraw/zinc/96/08/02/803960802.db2.gz LQXYAUWPZPHFPZ-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(OC(C)C)c1 ZINC001138987160 804100212 /nfs/dbraw/zinc/10/02/12/804100212.db2.gz KKKWIBIETOMJIA-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(OC(C)C)c1 ZINC001138987160 804100219 /nfs/dbraw/zinc/10/02/19/804100219.db2.gz KKKWIBIETOMJIA-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001139005969 804107015 /nfs/dbraw/zinc/10/70/15/804107015.db2.gz MFMLSYLTAUAYCS-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001139005969 804107016 /nfs/dbraw/zinc/10/70/16/804107016.db2.gz MFMLSYLTAUAYCS-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246088712 804120394 /nfs/dbraw/zinc/12/03/94/804120394.db2.gz XDAZCLYZTYZGJF-BHUNQDJPSA-N 2 2 276.399 3.002 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115222 804146061 /nfs/dbraw/zinc/14/60/61/804146061.db2.gz YBNHFLMZZBRZKU-IKGGRYGDSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129128 804155965 /nfs/dbraw/zinc/15/59/65/804155965.db2.gz PGPAQBOBLFPQPY-AAEUAGOBSA-N 2 2 284.856 3.162 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144766 804166723 /nfs/dbraw/zinc/16/67/23/804166723.db2.gz UYLKNYOUANKPLC-IDCNUPLLSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2ccc(Cl)cc2)C[NH2+]1 ZINC001246194954 804201892 /nfs/dbraw/zinc/20/18/92/804201892.db2.gz KVBALQCRKUIFOS-RISCZKNCSA-N 2 2 266.816 3.305 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c2ccccc12 ZINC001246257368 804241536 /nfs/dbraw/zinc/24/15/36/804241536.db2.gz SBQWSPURDUYLIU-GOEBONIOSA-N 2 2 268.404 3.378 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)c1 ZINC001246271069 804249483 /nfs/dbraw/zinc/24/94/83/804249483.db2.gz DNBNAQZYVUFYEI-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246278192 804252903 /nfs/dbraw/zinc/25/29/03/804252903.db2.gz FGCAMWBEUUUIFS-KBMXLJTQSA-N 2 2 260.425 3.491 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1C(F)(F)F ZINC001246297062 804265075 /nfs/dbraw/zinc/26/50/75/804265075.db2.gz KLRRUMCCHWMOCE-SRVKXCTJSA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC001246310056 804273156 /nfs/dbraw/zinc/27/31/56/804273156.db2.gz MDSOROZCHXGOMP-AWEZNQCLSA-N 2 2 266.816 3.307 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC001246315995 804276714 /nfs/dbraw/zinc/27/67/14/804276714.db2.gz FRVICGQJSXPNHF-CYBMUJFWSA-N 2 2 260.406 3.133 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CSCC[NH2+]3)C2)cc1 ZINC001246336054 804290965 /nfs/dbraw/zinc/29/09/65/804290965.db2.gz LCHFAVWAGFRTEY-IKGGRYGDSA-N 2 2 290.476 3.007 20 0 CGADLP CCCCCC[C@@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337642 804291057 /nfs/dbraw/zinc/29/10/57/804291057.db2.gz URFFDAFLMXGRGL-KGLIPLIRSA-N 2 2 258.475 3.030 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358294 804304206 /nfs/dbraw/zinc/30/42/06/804304206.db2.gz CPPRIONXHUJJTL-NQBHXWOUSA-N 2 2 284.856 3.161 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246468901 804347409 /nfs/dbraw/zinc/34/74/09/804347409.db2.gz LVSCKGLJHYRYBO-IAOVAPTHSA-N 2 2 260.425 3.430 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246526975 804380679 /nfs/dbraw/zinc/38/06/79/804380679.db2.gz CSSYHIGJFZTOOW-RISCZKNCSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246526975 804380682 /nfs/dbraw/zinc/38/06/82/804380682.db2.gz CSSYHIGJFZTOOW-RISCZKNCSA-N 2 2 284.856 3.244 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246537086 804385818 /nfs/dbraw/zinc/38/58/18/804385818.db2.gz JLRSUPPNNBLATN-NCOADZHNSA-N 2 2 292.467 3.131 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC001246537086 804385825 /nfs/dbraw/zinc/38/58/25/804385825.db2.gz JLRSUPPNNBLATN-NCOADZHNSA-N 2 2 292.467 3.131 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536477 804386056 /nfs/dbraw/zinc/38/60/56/804386056.db2.gz FXNOCUBDPRAMMY-IRXDYDNUSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536477 804386063 /nfs/dbraw/zinc/38/60/63/804386063.db2.gz FXNOCUBDPRAMMY-IRXDYDNUSA-N 2 2 292.854 3.475 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540194 804389379 /nfs/dbraw/zinc/38/93/79/804389379.db2.gz LRCNRDVRABBYCT-BBRMVZONSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540194 804389386 /nfs/dbraw/zinc/38/93/86/804389386.db2.gz LRCNRDVRABBYCT-BBRMVZONSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246543194 804391778 /nfs/dbraw/zinc/39/17/78/804391778.db2.gz SJYDJLJFHLDWQL-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246543194 804391786 /nfs/dbraw/zinc/39/17/86/804391786.db2.gz SJYDJLJFHLDWQL-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614551 804449165 /nfs/dbraw/zinc/44/91/65/804449165.db2.gz OELVMYKOZKRRMA-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614551 804449169 /nfs/dbraw/zinc/44/91/69/804449169.db2.gz OELVMYKOZKRRMA-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP CC[N@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140538276 804454832 /nfs/dbraw/zinc/45/48/32/804454832.db2.gz MFAZTVAIQMNWRN-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140538276 804454833 /nfs/dbraw/zinc/45/48/33/804454833.db2.gz MFAZTVAIQMNWRN-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246647090 804473976 /nfs/dbraw/zinc/47/39/76/804473976.db2.gz GZVQNQTWZGEWJD-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246647090 804473979 /nfs/dbraw/zinc/47/39/79/804473979.db2.gz GZVQNQTWZGEWJD-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP CCCCC[C@@H](CCC)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647827 804475552 /nfs/dbraw/zinc/47/55/52/804475552.db2.gz JRXADTOZSORFLJ-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC[C@@H](CCC)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647827 804475555 /nfs/dbraw/zinc/47/55/55/804475555.db2.gz JRXADTOZSORFLJ-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP C[C@H]1CC([N@@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@H](C)C1 ZINC001246657653 804482179 /nfs/dbraw/zinc/48/21/79/804482179.db2.gz XEWVHIALQBXJCF-CHWSQXEVSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]1CC([N@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@H](C)C1 ZINC001246657653 804482181 /nfs/dbraw/zinc/48/21/81/804482181.db2.gz XEWVHIALQBXJCF-CHWSQXEVSA-N 2 2 286.410 3.274 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc(C)c1O ZINC001140659817 804485585 /nfs/dbraw/zinc/48/55/85/804485585.db2.gz UGALIUAEVUVIBD-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc(C)c1O ZINC001140659817 804485589 /nfs/dbraw/zinc/48/55/89/804485589.db2.gz UGALIUAEVUVIBD-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911919 807010086 /nfs/dbraw/zinc/01/00/86/807010086.db2.gz XSGBYVPVPIWYTG-KFWWJZLASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256911919 807010094 /nfs/dbraw/zinc/01/00/94/807010094.db2.gz XSGBYVPVPIWYTG-KFWWJZLASA-N 2 2 264.457 3.418 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001246805953 804525270 /nfs/dbraw/zinc/52/52/70/804525270.db2.gz VAUKDPOFCQKJCO-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246810196 804526492 /nfs/dbraw/zinc/52/64/92/804526492.db2.gz ZORAFZDOBYLVFT-HFTRVMKXSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246810196 804526499 /nfs/dbraw/zinc/52/64/99/804526499.db2.gz ZORAFZDOBYLVFT-HFTRVMKXSA-N 2 2 288.435 3.363 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246808714 804527275 /nfs/dbraw/zinc/52/72/75/804527275.db2.gz YMFVAFWOKIIBAR-QUCCMNQESA-N 2 2 292.426 3.386 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@@H+]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001246808714 804527279 /nfs/dbraw/zinc/52/72/79/804527279.db2.gz YMFVAFWOKIIBAR-QUCCMNQESA-N 2 2 292.426 3.386 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838830 804547577 /nfs/dbraw/zinc/54/75/77/804547577.db2.gz VXYNYFGEFHOIGC-IXDOHACOSA-N 2 2 278.415 3.015 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838830 804547580 /nfs/dbraw/zinc/54/75/80/804547580.db2.gz VXYNYFGEFHOIGC-IXDOHACOSA-N 2 2 278.415 3.015 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846688 804555665 /nfs/dbraw/zinc/55/56/65/804555665.db2.gz POCITOPDQOXZRX-CRAIPNDOSA-N 2 2 287.451 3.357 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)C2CCCCC2)C[NH2+]1 ZINC001246846688 804555672 /nfs/dbraw/zinc/55/56/72/804555672.db2.gz POCITOPDQOXZRX-CRAIPNDOSA-N 2 2 287.451 3.357 20 0 CGADLP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848578 804557887 /nfs/dbraw/zinc/55/78/87/804557887.db2.gz WOUCXAUEPNMVPH-VTEPJNGRSA-N 2 2 292.467 3.309 20 0 CGADLP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848578 804557889 /nfs/dbraw/zinc/55/78/89/804557889.db2.gz WOUCXAUEPNMVPH-VTEPJNGRSA-N 2 2 292.467 3.309 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851609 804561517 /nfs/dbraw/zinc/56/15/17/804561517.db2.gz MCYVOLSPWIUKEL-XNRPHZJLSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851609 804561523 /nfs/dbraw/zinc/56/15/23/804561523.db2.gz MCYVOLSPWIUKEL-XNRPHZJLSA-N 2 2 278.827 3.270 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866887 804569591 /nfs/dbraw/zinc/56/95/91/804569591.db2.gz GAKRHKFVMGOPPG-GDBMZVCRSA-N 2 2 282.378 3.173 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866887 804569597 /nfs/dbraw/zinc/56/95/97/804569597.db2.gz GAKRHKFVMGOPPG-GDBMZVCRSA-N 2 2 282.378 3.173 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876097 804575179 /nfs/dbraw/zinc/57/51/79/804575179.db2.gz YJTVAXOUWZTNNE-WMLDXEAASA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876097 804575181 /nfs/dbraw/zinc/57/51/81/804575181.db2.gz YJTVAXOUWZTNNE-WMLDXEAASA-N 2 2 292.854 3.475 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246874942 804575545 /nfs/dbraw/zinc/57/55/45/804575545.db2.gz VBCKTPANJUHZAE-ZDUSSCGKSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246874942 804575548 /nfs/dbraw/zinc/57/55/48/804575548.db2.gz VBCKTPANJUHZAE-ZDUSSCGKSA-N 2 2 278.827 3.229 20 0 CGADLP F[C@H]1CCC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141047176 804578912 /nfs/dbraw/zinc/57/89/12/804578912.db2.gz YYIMXNYKSWKTOX-HNNXBMFYSA-N 2 2 287.382 3.439 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001246935802 804609111 /nfs/dbraw/zinc/60/91/11/804609111.db2.gz BHNVYRRAELKOBT-HUUCEWRRSA-N 2 2 278.465 3.159 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001246935802 804609112 /nfs/dbraw/zinc/60/91/12/804609112.db2.gz BHNVYRRAELKOBT-HUUCEWRRSA-N 2 2 278.465 3.159 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947121 804614176 /nfs/dbraw/zinc/61/41/76/804614176.db2.gz VLUZNEXNZBDNAU-SJORKVTESA-N 2 2 278.415 3.017 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947121 804614182 /nfs/dbraw/zinc/61/41/82/804614182.db2.gz VLUZNEXNZBDNAU-SJORKVTESA-N 2 2 278.415 3.017 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946200 804614277 /nfs/dbraw/zinc/61/42/77/804614277.db2.gz OCZPOLAMVRVIHI-DLBZAZTESA-N 2 2 278.415 3.161 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946200 804614282 /nfs/dbraw/zinc/61/42/82/804614282.db2.gz OCZPOLAMVRVIHI-DLBZAZTESA-N 2 2 278.415 3.161 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1C ZINC001141232572 804617636 /nfs/dbraw/zinc/61/76/36/804617636.db2.gz IZABJLZZVSIOKQ-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1C ZINC001141232572 804617641 /nfs/dbraw/zinc/61/76/41/804617641.db2.gz IZABJLZZVSIOKQ-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@H]2C1 ZINC001141232716 804618196 /nfs/dbraw/zinc/61/81/96/804618196.db2.gz KRPSCWXWAPBVEA-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977412 804624219 /nfs/dbraw/zinc/62/42/19/804624219.db2.gz HIAFDWTWRWTOAT-NXOAAHMSSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977412 804624224 /nfs/dbraw/zinc/62/42/24/804624224.db2.gz HIAFDWTWRWTOAT-NXOAAHMSSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977414 804624760 /nfs/dbraw/zinc/62/47/60/804624760.db2.gz HIAFDWTWRWTOAT-VQHPVUNQSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977414 804624761 /nfs/dbraw/zinc/62/47/61/804624761.db2.gz HIAFDWTWRWTOAT-VQHPVUNQSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979273 804625976 /nfs/dbraw/zinc/62/59/76/804625976.db2.gz OHBIWJOSWIHYTN-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979273 804625978 /nfs/dbraw/zinc/62/59/78/804625978.db2.gz OHBIWJOSWIHYTN-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)c1ccc2[nH]c(CC3CC[NH2+]CC3)[nH+]c2c1 ZINC001247006970 804637755 /nfs/dbraw/zinc/63/77/55/804637755.db2.gz BGTIDVTYYMFCLK-UHFFFAOYSA-N 2 2 271.408 3.403 20 0 CGADLP CCSc1cc[nH+]c(N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165248268 806981040 /nfs/dbraw/zinc/98/10/40/806981040.db2.gz HTFXJNQZFLBGCD-UHFFFAOYSA-N 2 2 291.464 3.306 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2cc[nH]c21 ZINC001248818515 805005218 /nfs/dbraw/zinc/00/52/18/805005218.db2.gz PHUQXKFECZZWHB-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2cc[nH]c21 ZINC001248818515 805005228 /nfs/dbraw/zinc/00/52/28/805005228.db2.gz PHUQXKFECZZWHB-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001257099563 807050847 /nfs/dbraw/zinc/05/08/47/807050847.db2.gz CZXSKHDWIRELAA-JLVBRIDZSA-N 2 2 299.418 3.260 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001257099563 807050851 /nfs/dbraw/zinc/05/08/51/807050851.db2.gz CZXSKHDWIRELAA-JLVBRIDZSA-N 2 2 299.418 3.260 20 0 CGADLP Cn1c[nH+]c2cccc(Nc3cc[nH+]cc3C(F)(F)F)c21 ZINC001249593509 805185644 /nfs/dbraw/zinc/18/56/44/805185644.db2.gz IZJROKDVOZOVQW-UHFFFAOYSA-N 2 2 292.264 3.153 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001155034055 805527659 /nfs/dbraw/zinc/52/76/59/805527659.db2.gz VOGUKRCBSBAAQS-OCCSQVGLSA-N 2 2 290.455 3.130 20 0 CGADLP Clc1ccnc(Cl)c1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057704 805530291 /nfs/dbraw/zinc/53/02/91/805530291.db2.gz NITXEJXYASFVMD-UHFFFAOYSA-N 2 2 297.189 3.041 20 0 CGADLP Cc1cc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c2ccccc12 ZINC001155116258 805540968 /nfs/dbraw/zinc/54/09/68/805540968.db2.gz HCRUUZRWQLGPEK-QGZVFWFLSA-N 2 2 287.382 3.437 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001256869358 806994981 /nfs/dbraw/zinc/99/49/81/806994981.db2.gz FSZMAWWZIBRKGE-PREGVCBESA-N 2 2 264.457 3.419 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001256869358 806994985 /nfs/dbraw/zinc/99/49/85/806994985.db2.gz FSZMAWWZIBRKGE-PREGVCBESA-N 2 2 264.457 3.419 20 0 CGADLP CCC(CC)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257290159 807088259 /nfs/dbraw/zinc/08/82/59/807088259.db2.gz NQRBZJIXPYYHDP-CYBMUJFWSA-N 2 2 285.229 3.227 20 0 CGADLP CCCC(CCC)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257331835 807112139 /nfs/dbraw/zinc/11/21/39/807112139.db2.gz PNSIUGOBYDGSQS-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257331835 807112144 /nfs/dbraw/zinc/11/21/44/807112144.db2.gz PNSIUGOBYDGSQS-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP Fc1c[nH+]ccc1N(C1CCCCC1)C1CC[NH2+]CC1 ZINC001257466754 807170955 /nfs/dbraw/zinc/17/09/55/807170955.db2.gz PEMDOERMFLMMNP-UHFFFAOYSA-N 2 2 277.387 3.112 20 0 CGADLP Cc1cc([NH+]2C(C)(C)CC([NH3+])CC2(C)C)ccc1N ZINC001167625582 807218977 /nfs/dbraw/zinc/21/89/77/807218977.db2.gz WCWQUYZFASLKIQ-UHFFFAOYSA-N 2 2 261.413 3.062 20 0 CGADLP CC(C)OC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001257870369 807231747 /nfs/dbraw/zinc/23/17/47/807231747.db2.gz MAXVBDHPGHQESW-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2[nH+]cn(C)c2c1 ZINC001167751117 807240756 /nfs/dbraw/zinc/24/07/56/807240756.db2.gz GDQPQVVYFVHRDG-AWEZNQCLSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1ccc2[nH+]cn(C)c2c1 ZINC001167751117 807240760 /nfs/dbraw/zinc/24/07/60/807240760.db2.gz GDQPQVVYFVHRDG-AWEZNQCLSA-N 2 2 286.423 3.250 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c(OCC(C)C)c1 ZINC001167786647 807251920 /nfs/dbraw/zinc/25/19/20/807251920.db2.gz IMUBTINEFYKXAM-UHFFFAOYSA-N 2 2 286.379 3.014 20 0 CGADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258016168 807266972 /nfs/dbraw/zinc/26/69/72/807266972.db2.gz BWGXNEICDNYIPY-UHFFFAOYSA-N 2 2 288.435 3.131 20 0 CGADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC(C)C)CC1)C2 ZINC001258016168 807266977 /nfs/dbraw/zinc/26/69/77/807266977.db2.gz BWGXNEICDNYIPY-UHFFFAOYSA-N 2 2 288.435 3.131 20 0 CGADLP C[C@@H]1CC([NH2+][C@@H]2C[C@H]2F)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015642 807300964 /nfs/dbraw/zinc/30/09/64/807300964.db2.gz RXEUNAXPELYUGX-BQGCOEIASA-N 2 2 276.399 3.128 20 0 CGADLP C[C@@H]1CC([N@H+]2C=C(N)C=CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025400 807301215 /nfs/dbraw/zinc/30/12/15/807301215.db2.gz KBDZHNIPTQAAPY-HZPDHXFCSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@@H]1CC([N@@H+]2C=C(N)C=CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168025400 807301223 /nfs/dbraw/zinc/30/12/23/807301223.db2.gz KBDZHNIPTQAAPY-HZPDHXFCSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039491 807302357 /nfs/dbraw/zinc/30/23/57/807302357.db2.gz FYEPAEXEKYSQIP-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039491 807302364 /nfs/dbraw/zinc/30/23/64/807302364.db2.gz FYEPAEXEKYSQIP-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039491 807302370 /nfs/dbraw/zinc/30/23/70/807302370.db2.gz FYEPAEXEKYSQIP-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039491 807302378 /nfs/dbraw/zinc/30/23/78/807302378.db2.gz FYEPAEXEKYSQIP-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171423 807337832 /nfs/dbraw/zinc/33/78/32/807337832.db2.gz YKRBUOUHTUKKTF-BIVLZKPYSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171423 807337840 /nfs/dbraw/zinc/33/78/40/807337840.db2.gz YKRBUOUHTUKKTF-BIVLZKPYSA-N 2 2 282.447 3.319 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC001258182102 807346286 /nfs/dbraw/zinc/34/62/86/807346286.db2.gz VPXBLHSPHJISHS-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC001258182102 807346295 /nfs/dbraw/zinc/34/62/95/807346295.db2.gz VPXBLHSPHJISHS-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001168714252 807494577 /nfs/dbraw/zinc/49/45/77/807494577.db2.gz ANNHISTUVDUMHO-AWEZNQCLSA-N 2 2 297.789 3.245 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258654784 807524757 /nfs/dbraw/zinc/52/47/57/807524757.db2.gz TZLCGAOCSXMDAJ-QGZVFWFLSA-N 2 2 284.403 3.461 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701045 807554536 /nfs/dbraw/zinc/55/45/36/807554536.db2.gz CADVAFOIKOEPCZ-LVQVYYBASA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701045 807554542 /nfs/dbraw/zinc/55/45/42/807554542.db2.gz CADVAFOIKOEPCZ-LVQVYYBASA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701045 807554546 /nfs/dbraw/zinc/55/45/46/807554546.db2.gz CADVAFOIKOEPCZ-LVQVYYBASA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701045 807554553 /nfs/dbraw/zinc/55/45/53/807554553.db2.gz CADVAFOIKOEPCZ-LVQVYYBASA-N 2 2 264.457 3.227 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001258702060 807555722 /nfs/dbraw/zinc/55/57/22/807555722.db2.gz PYLBOKQRWJWBAA-QGZVFWFLSA-N 2 2 271.408 3.274 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123085 807583182 /nfs/dbraw/zinc/58/31/82/807583182.db2.gz ITZHJPXNFRHVFV-BUWBCJGYSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123085 807583185 /nfs/dbraw/zinc/58/31/85/807583185.db2.gz ITZHJPXNFRHVFV-BUWBCJGYSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123086 807583699 /nfs/dbraw/zinc/58/36/99/807583699.db2.gz ITZHJPXNFRHVFV-LSSIXWDNSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123086 807583703 /nfs/dbraw/zinc/58/37/03/807583703.db2.gz ITZHJPXNFRHVFV-LSSIXWDNSA-N 2 2 292.373 3.167 20 0 CGADLP COc1cc[nH+]cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169149397 807594007 /nfs/dbraw/zinc/59/40/07/807594007.db2.gz ZNTNWRLXWMRXRG-WBMJQRKESA-N 2 2 277.412 3.046 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258783673 807610781 /nfs/dbraw/zinc/61/07/81/807610781.db2.gz HGHZXYZWXPYKSW-ZNMIVQPWSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258783673 807610787 /nfs/dbraw/zinc/61/07/87/807610787.db2.gz HGHZXYZWXPYKSW-ZNMIVQPWSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258790898 807615587 /nfs/dbraw/zinc/61/55/87/807615587.db2.gz OANAAOOLPDCQFW-TZMCWYRMSA-N 2 2 263.429 3.267 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258796112 807618108 /nfs/dbraw/zinc/61/81/08/807618108.db2.gz XHMCWQJVKGPKPA-MSOLQXFVSA-N 3 2 299.547 3.407 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258836423 807651382 /nfs/dbraw/zinc/65/13/82/807651382.db2.gz WWBXVGPSCLAPSK-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258836423 807651385 /nfs/dbraw/zinc/65/13/85/807651385.db2.gz WWBXVGPSCLAPSK-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258836423 807651388 /nfs/dbraw/zinc/65/13/88/807651388.db2.gz WWBXVGPSCLAPSK-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258836423 807651391 /nfs/dbraw/zinc/65/13/91/807651391.db2.gz WWBXVGPSCLAPSK-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC001261423818 807742754 /nfs/dbraw/zinc/74/27/54/807742754.db2.gz FTSYRRCXVZTCIP-OLZOCXBDSA-N 2 2 289.448 3.459 20 0 CGADLP Cc1ccc(N([C@@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001170160435 807781452 /nfs/dbraw/zinc/78/14/52/807781452.db2.gz ZFENINSJZASPHK-XJKSGUPXSA-N 2 2 273.424 3.137 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001170263612 807807384 /nfs/dbraw/zinc/80/73/84/807807384.db2.gz MTJUDQCRNGUJAT-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001170263612 807807392 /nfs/dbraw/zinc/80/73/92/807807392.db2.gz MTJUDQCRNGUJAT-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001170724772 807886877 /nfs/dbraw/zinc/88/68/77/807886877.db2.gz QDLYDFGNISMILL-PHZGNYQRSA-N 2 2 285.435 3.075 20 0 CGADLP CC[C@H](C)OCC[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172356477 808252564 /nfs/dbraw/zinc/25/25/64/808252564.db2.gz YUIFMWDJGGSTJP-SOUVJXGZSA-N 2 2 279.428 3.116 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360941 808255800 /nfs/dbraw/zinc/25/58/00/808255800.db2.gz LIQGFFKPXNWAGI-HOTGVXAUSA-N 2 2 284.488 3.385 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360941 808255804 /nfs/dbraw/zinc/25/58/04/808255804.db2.gz LIQGFFKPXNWAGI-HOTGVXAUSA-N 2 2 284.488 3.385 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(CO)c2)cc1 ZINC001212969258 815192116 /nfs/dbraw/zinc/19/21/16/815192116.db2.gz WFSOYEPVNRCTIP-UHFFFAOYSA-N 2 2 271.364 3.164 20 0 CGADLP CC(C)COCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172460905 808330216 /nfs/dbraw/zinc/33/02/16/808330216.db2.gz VTWCHBJYEQUFBV-IRXDYDNUSA-N 2 2 284.488 3.148 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CCOc3cc[nH+]cc3)C2)cc1 ZINC001172555683 808383216 /nfs/dbraw/zinc/38/32/16/808383216.db2.gz FIVPRBIKNVGJQN-IAGOWNOFSA-N 2 2 282.387 3.386 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001172833662 808451476 /nfs/dbraw/zinc/45/14/76/808451476.db2.gz AGDWBIFSCMVBGT-SFHVURJKSA-N 2 2 291.398 3.290 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032714 815207193 /nfs/dbraw/zinc/20/71/93/815207193.db2.gz UHSXZLZZPZZKFM-UHFFFAOYSA-N 2 2 266.348 3.368 20 0 CGADLP CO[C@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172947996 808492717 /nfs/dbraw/zinc/49/27/17/808492717.db2.gz BFZFDVQSXXXFDR-MSOLQXFVSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172947996 808492721 /nfs/dbraw/zinc/49/27/21/808492721.db2.gz BFZFDVQSXXXFDR-MSOLQXFVSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949055 808493212 /nfs/dbraw/zinc/49/32/12/808493212.db2.gz HPKBIIVSEVUPEL-QZTJIDSGSA-N 2 2 299.418 3.262 20 0 CGADLP CO[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949055 808493216 /nfs/dbraw/zinc/49/32/16/808493216.db2.gz HPKBIIVSEVUPEL-QZTJIDSGSA-N 2 2 299.418 3.262 20 0 CGADLP CCc1ccc(C[C@H](C)n2c[nH+]c(C)c2CC[NH3+])cc1 ZINC001173235710 808544725 /nfs/dbraw/zinc/54/47/25/808544725.db2.gz OGZNIUPUDAEEBT-ZDUSSCGKSA-N 2 2 271.408 3.059 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001173237838 808545905 /nfs/dbraw/zinc/54/59/05/808545905.db2.gz FJVCTMIBMSOJTD-KXBFYZLASA-N 2 2 286.463 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC001173237838 808545910 /nfs/dbraw/zinc/54/59/10/808545910.db2.gz FJVCTMIBMSOJTD-KXBFYZLASA-N 2 2 286.463 3.254 20 0 CGADLP COc1cc(Nc2ccc3[nH]c(C)[nH+]c3c2)[nH+]cc1C ZINC001213073856 815223663 /nfs/dbraw/zinc/22/36/63/815223663.db2.gz XZVIBKPABONNJN-UHFFFAOYSA-N 2 2 268.320 3.327 20 0 CGADLP Clc1ccc2[nH+]ccc(Nc3cc[nH+]cc3)c2c1 ZINC001173879594 808734295 /nfs/dbraw/zinc/73/42/95/808734295.db2.gz XPSFCCNWZNCGBV-UHFFFAOYSA-N 2 2 255.708 3.449 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275054822 808901678 /nfs/dbraw/zinc/90/16/78/808901678.db2.gz LFXMHTCKBVJRJX-SFHVURJKSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275054822 808901684 /nfs/dbraw/zinc/90/16/84/808901684.db2.gz LFXMHTCKBVJRJX-SFHVURJKSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275054822 808901690 /nfs/dbraw/zinc/90/16/90/808901690.db2.gz LFXMHTCKBVJRJX-SFHVURJKSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275054822 808901697 /nfs/dbraw/zinc/90/16/97/808901697.db2.gz LFXMHTCKBVJRJX-SFHVURJKSA-N 2 2 289.467 3.349 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(OC)c1 ZINC001275104103 808908844 /nfs/dbraw/zinc/90/88/44/808908844.db2.gz YDHAEROBQGOPIS-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(OC)c1 ZINC001275104103 808908850 /nfs/dbraw/zinc/90/88/50/808908850.db2.gz YDHAEROBQGOPIS-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP Cc1ccc[nH+]c1N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277707766 809090536 /nfs/dbraw/zinc/09/05/36/809090536.db2.gz GUQOWFOSBBGWFV-UHFFFAOYSA-N 2 2 285.435 3.235 20 0 CGADLP CN(C)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001175343829 809367650 /nfs/dbraw/zinc/36/76/50/809367650.db2.gz QIZVPJZICAYCDD-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001179168805 809907238 /nfs/dbraw/zinc/90/72/38/809907238.db2.gz JYELZCUAVMABDN-KBAYOESNSA-N 2 2 294.483 3.331 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001179168805 809907240 /nfs/dbraw/zinc/90/72/40/809907240.db2.gz JYELZCUAVMABDN-KBAYOESNSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001182855188 810127750 /nfs/dbraw/zinc/12/77/50/810127750.db2.gz NISAJRBGOQJWEC-JKSUJKDBSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001182855188 810127751 /nfs/dbraw/zinc/12/77/51/810127751.db2.gz NISAJRBGOQJWEC-JKSUJKDBSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001182864487 810128642 /nfs/dbraw/zinc/12/86/42/810128642.db2.gz JWNNCKJWSUTVGC-QLFBSQMISA-N 2 2 296.499 3.431 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001182864487 810128644 /nfs/dbraw/zinc/12/86/44/810128644.db2.gz JWNNCKJWSUTVGC-QLFBSQMISA-N 2 2 296.499 3.431 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918988 810130871 /nfs/dbraw/zinc/13/08/71/810130871.db2.gz UNRYZHRRGYDTLM-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918988 810130874 /nfs/dbraw/zinc/13/08/74/810130874.db2.gz UNRYZHRRGYDTLM-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001183146652 810138925 /nfs/dbraw/zinc/13/89/25/810138925.db2.gz ZIWWPNSXANYYKC-RCCFBDPRSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001183146652 810138928 /nfs/dbraw/zinc/13/89/28/810138928.db2.gz ZIWWPNSXANYYKC-RCCFBDPRSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001199850732 811602636 /nfs/dbraw/zinc/60/26/36/811602636.db2.gz JDYFYUKZPQWJMV-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cn2cccc(Nc3cccc(C[NH+](C)C)c3)c2[nH+]1 ZINC001201389177 811825139 /nfs/dbraw/zinc/82/51/39/811825139.db2.gz CBPRKAOCPCWMFX-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001201478250 811855921 /nfs/dbraw/zinc/85/59/21/811855921.db2.gz CLTXXWIKWGMDHS-UHFFFAOYSA-N 2 2 278.415 3.378 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001201478250 811855930 /nfs/dbraw/zinc/85/59/30/811855930.db2.gz CLTXXWIKWGMDHS-UHFFFAOYSA-N 2 2 278.415 3.378 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201567970 811908194 /nfs/dbraw/zinc/90/81/94/811908194.db2.gz MIODVJVSAPBARJ-XHSDSOJGSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201567970 811908197 /nfs/dbraw/zinc/90/81/97/811908197.db2.gz MIODVJVSAPBARJ-XHSDSOJGSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201567970 811908202 /nfs/dbraw/zinc/90/82/02/811908202.db2.gz MIODVJVSAPBARJ-XHSDSOJGSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201567970 811908205 /nfs/dbraw/zinc/90/82/05/811908205.db2.gz MIODVJVSAPBARJ-XHSDSOJGSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621209 811923407 /nfs/dbraw/zinc/92/34/07/811923407.db2.gz ZXDHWDAXHDHNPH-LSDHHAIUSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621209 811923412 /nfs/dbraw/zinc/92/34/12/811923412.db2.gz ZXDHWDAXHDHNPH-LSDHHAIUSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201621209 811923414 /nfs/dbraw/zinc/92/34/14/811923414.db2.gz ZXDHWDAXHDHNPH-LSDHHAIUSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201621209 811923418 /nfs/dbraw/zinc/92/34/18/811923418.db2.gz ZXDHWDAXHDHNPH-LSDHHAIUSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)(C)CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202065085 812008392 /nfs/dbraw/zinc/00/83/92/812008392.db2.gz IMJRLWSOAAKUCF-UHFFFAOYSA-N 2 2 262.397 3.361 20 0 CGADLP COc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001203438523 812357475 /nfs/dbraw/zinc/35/74/75/812357475.db2.gz JAECYLAYGQNTQL-MRXNPFEDSA-N 2 2 298.386 3.052 20 0 CGADLP Cc1ccoc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001203470824 812372354 /nfs/dbraw/zinc/37/23/54/812372354.db2.gz JCMVWYDTEJWRRY-INIZCTEOSA-N 2 2 281.359 3.316 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(C)c1 ZINC001203744410 812449458 /nfs/dbraw/zinc/44/94/58/812449458.db2.gz CKEWMICUNKVZNQ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(C)c1 ZINC001203744410 812449462 /nfs/dbraw/zinc/44/94/62/812449462.db2.gz CKEWMICUNKVZNQ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(C)c1 ZINC001203744410 812449465 /nfs/dbraw/zinc/44/94/65/812449465.db2.gz CKEWMICUNKVZNQ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(C)c1 ZINC001203744410 812449468 /nfs/dbraw/zinc/44/94/68/812449468.db2.gz CKEWMICUNKVZNQ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP CN(C)c1ccc[nH+]c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203796177 812464082 /nfs/dbraw/zinc/46/40/82/812464082.db2.gz QRMOFRYTMYATGB-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001203917937 812490666 /nfs/dbraw/zinc/49/06/66/812490666.db2.gz IDNBGTYVGJGKAY-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001203917937 812490669 /nfs/dbraw/zinc/49/06/69/812490669.db2.gz IDNBGTYVGJGKAY-UHFFFAOYSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)[N@H+](Cc1cn(C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204320043 812611497 /nfs/dbraw/zinc/61/14/97/812611497.db2.gz MJTBJPOYPXVJHS-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC(C)[N@@H+](Cc1cn(C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204320043 812611500 /nfs/dbraw/zinc/61/15/00/812611500.db2.gz MJTBJPOYPXVJHS-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP Cc1c(F)cccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001204509355 812660318 /nfs/dbraw/zinc/66/03/18/812660318.db2.gz BSUPARQWFQRFFV-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)o1 ZINC001204791279 812738182 /nfs/dbraw/zinc/73/81/82/812738182.db2.gz PQPWLFFOCHZXOJ-KRWDZBQOSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)o1 ZINC001204791279 812738186 /nfs/dbraw/zinc/73/81/86/812738186.db2.gz PQPWLFFOCHZXOJ-KRWDZBQOSA-N 2 2 270.376 3.178 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204878158 812762035 /nfs/dbraw/zinc/76/20/35/812762035.db2.gz ZEOHKGSRTKTFEY-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001204878158 812762042 /nfs/dbraw/zinc/76/20/42/812762042.db2.gz ZEOHKGSRTKTFEY-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205102630 812866888 /nfs/dbraw/zinc/86/68/88/812866888.db2.gz UWNSLPSLMBFJCO-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205102630 812866899 /nfs/dbraw/zinc/86/68/99/812866899.db2.gz UWNSLPSLMBFJCO-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315317 812947624 /nfs/dbraw/zinc/94/76/24/812947624.db2.gz DUOVYUVSZPYIEW-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315317 812947628 /nfs/dbraw/zinc/94/76/28/812947628.db2.gz DUOVYUVSZPYIEW-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205325187 812955850 /nfs/dbraw/zinc/95/58/50/812955850.db2.gz LFZKMNJVHWCMNA-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205325187 812955854 /nfs/dbraw/zinc/95/58/54/812955854.db2.gz LFZKMNJVHWCMNA-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205814949 813092566 /nfs/dbraw/zinc/09/25/66/813092566.db2.gz DZEYVGXDLUNGFP-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205814949 813092573 /nfs/dbraw/zinc/09/25/73/813092573.db2.gz DZEYVGXDLUNGFP-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205913225 813129253 /nfs/dbraw/zinc/12/92/53/813129253.db2.gz HQWWCLMLCQMAGC-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205913225 813129257 /nfs/dbraw/zinc/12/92/57/813129257.db2.gz HQWWCLMLCQMAGC-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCC2CCCCC2)C1 ZINC001206338199 813294815 /nfs/dbraw/zinc/29/48/15/813294815.db2.gz YBYFOFIQNKKXSP-INIZCTEOSA-N 2 2 270.436 3.500 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCC2CCCCC2)C1 ZINC001206338199 813294819 /nfs/dbraw/zinc/29/48/19/813294819.db2.gz YBYFOFIQNKKXSP-INIZCTEOSA-N 2 2 270.436 3.500 20 0 CGADLP CCCOc1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206351360 813299775 /nfs/dbraw/zinc/29/97/75/813299775.db2.gz BUFAQHMVMARZCR-QGZVFWFLSA-N 2 2 294.414 3.128 20 0 CGADLP CCCOc1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206351360 813299777 /nfs/dbraw/zinc/29/97/77/813299777.db2.gz BUFAQHMVMARZCR-QGZVFWFLSA-N 2 2 294.414 3.128 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4ocnc4c3)c2)C1 ZINC001242598014 823053753 /nfs/dbraw/zinc/05/37/53/823053753.db2.gz IKYNAOVQPWKLKD-INIZCTEOSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4ocnc4c3)c2)C1 ZINC001242598014 823053760 /nfs/dbraw/zinc/05/37/60/823053760.db2.gz IKYNAOVQPWKLKD-INIZCTEOSA-N 2 2 293.370 3.028 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001206715084 813405273 /nfs/dbraw/zinc/40/52/73/813405273.db2.gz VZSMOQHSENGJKL-UHFFFAOYSA-N 2 2 297.406 3.195 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771028 813432803 /nfs/dbraw/zinc/43/28/03/813432803.db2.gz VSLFJDDWOSYQEH-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771028 813432809 /nfs/dbraw/zinc/43/28/09/813432809.db2.gz VSLFJDDWOSYQEH-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001207184064 813510204 /nfs/dbraw/zinc/51/02/04/813510204.db2.gz HHUZQALUQTXLQX-OAHLLOKOSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001207184064 813510212 /nfs/dbraw/zinc/51/02/12/813510212.db2.gz HHUZQALUQTXLQX-OAHLLOKOSA-N 2 2 282.497 3.269 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](C)c1ccccc1 ZINC001207913354 813669933 /nfs/dbraw/zinc/66/99/33/813669933.db2.gz KOIBBZAXIGRLIP-HNNXBMFYSA-N 2 2 257.381 3.009 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](C)c1ccccc1 ZINC001207913354 813669939 /nfs/dbraw/zinc/66/99/39/813669939.db2.gz KOIBBZAXIGRLIP-HNNXBMFYSA-N 2 2 257.381 3.009 20 0 CGADLP C[NH+](C)CCC[NH+](CCCC1CCCC1)CCC[NH+](C)C ZINC001208091672 813691109 /nfs/dbraw/zinc/69/11/09/813691109.db2.gz RGOPEOSYAPRBFZ-UHFFFAOYSA-N 3 2 297.531 3.162 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777169 /nfs/dbraw/zinc/77/71/69/813777169.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777180 /nfs/dbraw/zinc/77/71/80/813777180.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777183 /nfs/dbraw/zinc/77/71/83/813777183.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777192 /nfs/dbraw/zinc/77/71/92/813777192.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@@H]3C2)nc1 ZINC001208694219 813800762 /nfs/dbraw/zinc/80/07/62/813800762.db2.gz VLTVPVFYBNDERZ-QZTJIDSGSA-N 2 2 299.462 3.026 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476672 814479406 /nfs/dbraw/zinc/47/94/06/814479406.db2.gz XCMKAKIYFOYNAW-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476672 814479409 /nfs/dbraw/zinc/47/94/09/814479409.db2.gz XCMKAKIYFOYNAW-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001210560885 814526563 /nfs/dbraw/zinc/52/65/63/814526563.db2.gz BQJZYYSRUXHDKG-UHFFFAOYSA-N 2 2 284.378 3.144 20 0 CGADLP S=c1[nH]cccc1[NH2+]C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210703638 814588198 /nfs/dbraw/zinc/58/81/98/814588198.db2.gz BKZVUIMAPDFFDW-CYBMUJFWSA-N 2 2 275.421 3.314 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001210753798 814611826 /nfs/dbraw/zinc/61/18/26/814611826.db2.gz QQAKXLFAMRPDFT-UHFFFAOYSA-N 2 2 299.422 3.159 20 0 CGADLP Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2C)[nH+]c1 ZINC001211013696 814709111 /nfs/dbraw/zinc/70/91/11/814709111.db2.gz KRCMYURWJVLRGM-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccn3cc(C)[nH+]c23)c1 ZINC001211135931 814758163 /nfs/dbraw/zinc/75/81/63/814758163.db2.gz KTQIJBPHNVFZGQ-UHFFFAOYSA-N 2 2 266.348 3.106 20 0 CGADLP CNc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc[nH+]1 ZINC001216334835 815788223 /nfs/dbraw/zinc/78/82/23/815788223.db2.gz ZROJSWFUCHDROC-UHFFFAOYSA-N 2 2 265.320 3.053 20 0 CGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232961 816379802 /nfs/dbraw/zinc/37/98/02/816379802.db2.gz ZZQKIEWJVRRETO-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccccc1CCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232961 816379814 /nfs/dbraw/zinc/37/98/14/816379814.db2.gz ZZQKIEWJVRRETO-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2o1 ZINC001222244212 816384584 /nfs/dbraw/zinc/38/45/84/816384584.db2.gz VGUIMSCXRLSDFF-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2o1 ZINC001222244212 816384591 /nfs/dbraw/zinc/38/45/91/816384591.db2.gz VGUIMSCXRLSDFF-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222242128 816385307 /nfs/dbraw/zinc/38/53/07/816385307.db2.gz AYVMJNICQOYLEL-GOSISDBHSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222242128 816385314 /nfs/dbraw/zinc/38/53/14/816385314.db2.gz AYVMJNICQOYLEL-GOSISDBHSA-N 2 2 288.435 3.192 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222283142 816394460 /nfs/dbraw/zinc/39/44/60/816394460.db2.gz TZPKQGPUZVLMBL-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC001222283142 816394471 /nfs/dbraw/zinc/39/44/71/816394471.db2.gz TZPKQGPUZVLMBL-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1F ZINC001222292923 816400104 /nfs/dbraw/zinc/40/01/04/816400104.db2.gz NABXUWCMODWJJP-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1C ZINC001222344602 816413885 /nfs/dbraw/zinc/41/38/85/816413885.db2.gz AMXGTKMGQIVDMH-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1C ZINC001222344602 816413887 /nfs/dbraw/zinc/41/38/87/816413887.db2.gz AMXGTKMGQIVDMH-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP Clc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001222431352 816444253 /nfs/dbraw/zinc/44/42/53/816444253.db2.gz CHVVEDNVHXREGM-UHFFFAOYSA-N 2 2 283.762 3.342 20 0 CGADLP COc1cc(C)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001243244418 823310263 /nfs/dbraw/zinc/31/02/63/823310263.db2.gz RMKOGCGXWDOWAA-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP CCc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)s1 ZINC001231501558 818113795 /nfs/dbraw/zinc/11/37/95/818113795.db2.gz LQAMXUUONSRHQM-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP CCc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)s1 ZINC001231501558 818113798 /nfs/dbraw/zinc/11/37/98/818113798.db2.gz LQAMXUUONSRHQM-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)cccc2F)CC1 ZINC001232484818 818368549 /nfs/dbraw/zinc/36/85/49/818368549.db2.gz MAEFFPPPRKDXBP-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cccc2F)CC1 ZINC001232484818 818368554 /nfs/dbraw/zinc/36/85/54/818368554.db2.gz MAEFFPPPRKDXBP-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC(C)[N@H+](Cc1ccc2ncoc2c1)C1CC[NH+](C)CC1 ZINC001232945654 818481362 /nfs/dbraw/zinc/48/13/62/818481362.db2.gz GRRARLRRNIBWMU-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2ncoc2c1)C1CC[NH+](C)CC1 ZINC001232945654 818481364 /nfs/dbraw/zinc/48/13/64/818481364.db2.gz GRRARLRRNIBWMU-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@H](C)C[NH+](CC)CC)cc1 ZINC001234587289 818885948 /nfs/dbraw/zinc/88/59/48/818885948.db2.gz ZQTHRHHYKQLZGM-CYBMUJFWSA-N 2 2 278.396 3.158 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)s1 ZINC001235008410 818978990 /nfs/dbraw/zinc/97/89/90/818978990.db2.gz VONPGOLFYRRPIL-UHFFFAOYSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)s1 ZINC001235008410 818978995 /nfs/dbraw/zinc/97/89/95/818978995.db2.gz VONPGOLFYRRPIL-UHFFFAOYSA-N 2 2 264.438 3.014 20 0 CGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235038324 818986385 /nfs/dbraw/zinc/98/63/85/818986385.db2.gz GQNOQEJCZUZIBF-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235038324 818986388 /nfs/dbraw/zinc/98/63/88/818986388.db2.gz GQNOQEJCZUZIBF-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112026 819007810 /nfs/dbraw/zinc/00/78/10/819007810.db2.gz UBCXGBYFTOINDZ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112026 819007815 /nfs/dbraw/zinc/00/78/15/819007815.db2.gz UBCXGBYFTOINDZ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235118853 819010081 /nfs/dbraw/zinc/01/00/81/819010081.db2.gz HLSRJAXKPXCFBY-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235118853 819010085 /nfs/dbraw/zinc/01/00/85/819010085.db2.gz HLSRJAXKPXCFBY-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121634 819012023 /nfs/dbraw/zinc/01/20/23/819012023.db2.gz YOBVVMTZFIHWJO-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121634 819012031 /nfs/dbraw/zinc/01/20/31/819012031.db2.gz YOBVVMTZFIHWJO-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cccc2n1 ZINC001235128287 819013678 /nfs/dbraw/zinc/01/36/78/819013678.db2.gz DUBQPTKABCHEKM-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cccc2n1 ZINC001235128287 819013681 /nfs/dbraw/zinc/01/36/81/819013681.db2.gz DUBQPTKABCHEKM-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)o1 ZINC001235254514 819052376 /nfs/dbraw/zinc/05/23/76/819052376.db2.gz BUTDRNFHUGFQLC-IRXDYDNUSA-N 2 2 282.387 3.049 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)o1 ZINC001235254514 819052380 /nfs/dbraw/zinc/05/23/80/819052380.db2.gz BUTDRNFHUGFQLC-IRXDYDNUSA-N 2 2 282.387 3.049 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC001235262931 819056007 /nfs/dbraw/zinc/05/60/07/819056007.db2.gz GSWQYJYZAXFUFV-SFHVURJKSA-N 2 2 297.402 3.082 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC001235262931 819056014 /nfs/dbraw/zinc/05/60/14/819056014.db2.gz GSWQYJYZAXFUFV-SFHVURJKSA-N 2 2 297.402 3.082 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272653 819059404 /nfs/dbraw/zinc/05/94/04/819059404.db2.gz QPISCCUPBNNGFF-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272653 819059411 /nfs/dbraw/zinc/05/94/11/819059411.db2.gz QPISCCUPBNNGFF-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272664 819059758 /nfs/dbraw/zinc/05/97/58/819059758.db2.gz QPISCCUPBNNGFF-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272664 819059763 /nfs/dbraw/zinc/05/97/63/819059763.db2.gz QPISCCUPBNNGFF-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP C[N@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001235348328 819074871 /nfs/dbraw/zinc/07/48/71/819074871.db2.gz XIUQCABUOZTZGF-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@@H+](Cc1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001235348328 819074877 /nfs/dbraw/zinc/07/48/77/819074877.db2.gz XIUQCABUOZTZGF-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399650 819084928 /nfs/dbraw/zinc/08/49/28/819084928.db2.gz ALHUXUYKVRFVFJ-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399650 819084934 /nfs/dbraw/zinc/08/49/34/819084934.db2.gz ALHUXUYKVRFVFJ-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235541578 819119569 /nfs/dbraw/zinc/11/95/69/819119569.db2.gz VVAVFYQJZHICBH-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235541578 819119572 /nfs/dbraw/zinc/11/95/72/819119572.db2.gz VVAVFYQJZHICBH-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235541578 819119576 /nfs/dbraw/zinc/11/95/76/819119576.db2.gz VVAVFYQJZHICBH-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235541578 819119583 /nfs/dbraw/zinc/11/95/83/819119583.db2.gz VVAVFYQJZHICBH-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001235676506 819136963 /nfs/dbraw/zinc/13/69/63/819136963.db2.gz RQMLEHQBSMPSEO-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001235676506 819136968 /nfs/dbraw/zinc/13/69/68/819136968.db2.gz RQMLEHQBSMPSEO-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccccc2SCC)CC1 ZINC001235725780 819153681 /nfs/dbraw/zinc/15/36/81/819153681.db2.gz ZXRAIXSMNJTHHB-UHFFFAOYSA-N 2 2 278.465 3.373 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc(C)cc(SC)c2)CC1 ZINC001235724505 819153954 /nfs/dbraw/zinc/15/39/54/819153954.db2.gz NHUPWHRECTVEJZ-UHFFFAOYSA-N 2 2 278.465 3.291 20 0 CGADLP C[N@H+](Cc1ccccc1-c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001235740771 819158001 /nfs/dbraw/zinc/15/80/01/819158001.db2.gz MMZPNJCWEBBBGF-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001235740771 819158007 /nfs/dbraw/zinc/15/80/07/819158007.db2.gz MMZPNJCWEBBBGF-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001235797754 819171335 /nfs/dbraw/zinc/17/13/35/819171335.db2.gz ZBFHTIAWSYNGHM-QUCCMNQESA-N 2 2 292.426 3.386 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC001235797754 819171340 /nfs/dbraw/zinc/17/13/40/819171340.db2.gz ZBFHTIAWSYNGHM-QUCCMNQESA-N 2 2 292.426 3.386 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001235892160 819201952 /nfs/dbraw/zinc/20/19/52/819201952.db2.gz LUPYKEIVZGQUAQ-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001235892160 819201958 /nfs/dbraw/zinc/20/19/58/819201958.db2.gz LUPYKEIVZGQUAQ-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1c(C)c(C[N@@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947079 819235517 /nfs/dbraw/zinc/23/55/17/819235517.db2.gz GLDHUOQJCJFECE-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1c(C)c(C[N@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947079 819235523 /nfs/dbraw/zinc/23/55/23/819235523.db2.gz GLDHUOQJCJFECE-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948025 819238244 /nfs/dbraw/zinc/23/82/44/819238244.db2.gz NQUPZKGDZIJGKQ-GDBMZVCRSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948025 819238249 /nfs/dbraw/zinc/23/82/49/819238249.db2.gz NQUPZKGDZIJGKQ-GDBMZVCRSA-N 2 2 278.827 3.271 20 0 CGADLP CCc1ccc(C[N@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235959438 819248410 /nfs/dbraw/zinc/24/84/10/819248410.db2.gz JMIRPJACCJVYRT-LJQANCHMSA-N 2 2 282.431 3.251 20 0 CGADLP CCc1ccc(C[N@@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235959438 819248416 /nfs/dbraw/zinc/24/84/16/819248416.db2.gz JMIRPJACCJVYRT-LJQANCHMSA-N 2 2 282.431 3.251 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982520 819258468 /nfs/dbraw/zinc/25/84/68/819258468.db2.gz VWBGXXVXWHEQJU-LPHOPBHVSA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982520 819258479 /nfs/dbraw/zinc/25/84/79/819258479.db2.gz VWBGXXVXWHEQJU-LPHOPBHVSA-N 2 2 294.398 3.402 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001236032910 819278188 /nfs/dbraw/zinc/27/81/88/819278188.db2.gz WMCKCQIIPIPRIV-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)cc2)cc1 ZINC001236032910 819278191 /nfs/dbraw/zinc/27/81/91/819278191.db2.gz WMCKCQIIPIPRIV-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236100402 819317975 /nfs/dbraw/zinc/31/79/75/819317975.db2.gz GXLAOWJKTXEMBG-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236100402 819317979 /nfs/dbraw/zinc/31/79/79/819317979.db2.gz GXLAOWJKTXEMBG-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cccc2c(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236204707 819367483 /nfs/dbraw/zinc/36/74/83/819367483.db2.gz AKZSDCDSYVIMMG-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1cccc2c(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236204707 819367488 /nfs/dbraw/zinc/36/74/88/819367488.db2.gz AKZSDCDSYVIMMG-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1ccc(F)c2ccoc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236208758 819370342 /nfs/dbraw/zinc/37/03/42/819370342.db2.gz XFSCJAGLRJRMAD-INIZCTEOSA-N 2 2 276.355 3.146 20 0 CGADLP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236208758 819370348 /nfs/dbraw/zinc/37/03/48/819370348.db2.gz XFSCJAGLRJRMAD-INIZCTEOSA-N 2 2 276.355 3.146 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c21 ZINC001236207819 819370405 /nfs/dbraw/zinc/37/04/05/819370405.db2.gz PTKVDRYCLYXFQD-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c21 ZINC001236207819 819370408 /nfs/dbraw/zinc/37/04/08/819370408.db2.gz PTKVDRYCLYXFQD-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236216895 819381629 /nfs/dbraw/zinc/38/16/29/819381629.db2.gz MBRRUAPMZZRTFI-IAGOWNOFSA-N 2 2 298.434 3.087 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236216895 819381635 /nfs/dbraw/zinc/38/16/35/819381635.db2.gz MBRRUAPMZZRTFI-IAGOWNOFSA-N 2 2 298.434 3.087 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219446 819386739 /nfs/dbraw/zinc/38/67/39/819386739.db2.gz WJGHAYDXZZHXEA-RHSMWYFYSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219446 819386742 /nfs/dbraw/zinc/38/67/42/819386742.db2.gz WJGHAYDXZZHXEA-RHSMWYFYSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c21 ZINC001236238529 819397637 /nfs/dbraw/zinc/39/76/37/819397637.db2.gz FVURTPKSESLERL-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c21 ZINC001236238529 819397644 /nfs/dbraw/zinc/39/76/44/819397644.db2.gz FVURTPKSESLERL-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP COc1cccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001236321548 819424998 /nfs/dbraw/zinc/42/49/98/819424998.db2.gz BTPWMKQXGDDUEG-QGZVFWFLSA-N 2 2 288.435 3.017 20 0 CGADLP COCC[N@H+](CC[C@H](C)CCC=C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236336342 819427819 /nfs/dbraw/zinc/42/78/19/819427819.db2.gz XFWRYQBSEGAMSW-IAGOWNOFSA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236336342 819427824 /nfs/dbraw/zinc/42/78/24/819427824.db2.gz XFWRYQBSEGAMSW-IAGOWNOFSA-N 2 2 282.472 3.069 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)s1 ZINC001236418869 819464439 /nfs/dbraw/zinc/46/44/39/819464439.db2.gz GUUPCGLCYNOCOK-IUODEOHRSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)s1 ZINC001236418869 819464442 /nfs/dbraw/zinc/46/44/42/819464442.db2.gz GUUPCGLCYNOCOK-IUODEOHRSA-N 2 2 266.454 3.402 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421371 819468322 /nfs/dbraw/zinc/46/83/22/819468322.db2.gz QHHFWVSNURYUIZ-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421371 819468327 /nfs/dbraw/zinc/46/83/27/819468327.db2.gz QHHFWVSNURYUIZ-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP COc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001236469382 819489581 /nfs/dbraw/zinc/48/95/81/819489581.db2.gz WUZRZZNHLIHUGC-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001236469382 819489585 /nfs/dbraw/zinc/48/95/85/819489585.db2.gz WUZRZZNHLIHUGC-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)oc1C ZINC001236474862 819493962 /nfs/dbraw/zinc/49/39/62/819493962.db2.gz RULULBRQGGHLTR-OAHLLOKOSA-N 2 2 264.413 3.106 20 0 CGADLP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)oc1C ZINC001236474862 819493966 /nfs/dbraw/zinc/49/39/66/819493966.db2.gz RULULBRQGGHLTR-OAHLLOKOSA-N 2 2 264.413 3.106 20 0 CGADLP CCc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc(CC)c1O ZINC001236527932 819519131 /nfs/dbraw/zinc/51/91/31/819519131.db2.gz IUWILGAQANQGKW-QGZVFWFLSA-N 2 2 290.451 3.089 20 0 CGADLP CCc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc(CC)c1O ZINC001236527932 819519134 /nfs/dbraw/zinc/51/91/34/819519134.db2.gz IUWILGAQANQGKW-QGZVFWFLSA-N 2 2 290.451 3.089 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236529989 819521245 /nfs/dbraw/zinc/52/12/45/819521245.db2.gz OALIQPHFPLSEFG-OAHLLOKOSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236529989 819521249 /nfs/dbraw/zinc/52/12/49/819521249.db2.gz OALIQPHFPLSEFG-OAHLLOKOSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236529942 819521509 /nfs/dbraw/zinc/52/15/09/819521509.db2.gz OALIQPHFPLSEFG-HNNXBMFYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236529942 819521515 /nfs/dbraw/zinc/52/15/15/819521515.db2.gz OALIQPHFPLSEFG-HNNXBMFYSA-N 2 2 266.816 3.221 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC001236864535 819626252 /nfs/dbraw/zinc/62/62/52/819626252.db2.gz BQDYHZFZLJXEBJ-INIZCTEOSA-N 2 2 272.392 3.018 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC001236864535 819626255 /nfs/dbraw/zinc/62/62/55/819626255.db2.gz BQDYHZFZLJXEBJ-INIZCTEOSA-N 2 2 272.392 3.018 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106776 819668317 /nfs/dbraw/zinc/66/83/17/819668317.db2.gz JGWPQBXFNPWNSH-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106776 819668320 /nfs/dbraw/zinc/66/83/20/819668320.db2.gz JGWPQBXFNPWNSH-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106776 819668322 /nfs/dbraw/zinc/66/83/22/819668322.db2.gz JGWPQBXFNPWNSH-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106776 819668325 /nfs/dbraw/zinc/66/83/25/819668325.db2.gz JGWPQBXFNPWNSH-MOPGFXCFSA-N 2 2 284.447 3.480 20 0 CGADLP COc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237153690 819681325 /nfs/dbraw/zinc/68/13/25/819681325.db2.gz GTTHWBBDLMKPPP-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001237153690 819681329 /nfs/dbraw/zinc/68/13/29/819681329.db2.gz GTTHWBBDLMKPPP-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cs1 ZINC001237162486 819686615 /nfs/dbraw/zinc/68/66/15/819686615.db2.gz VPMFMBPGMHWDOY-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cs1 ZINC001237162486 819686620 /nfs/dbraw/zinc/68/66/20/819686620.db2.gz VPMFMBPGMHWDOY-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185870 819690939 /nfs/dbraw/zinc/69/09/39/819690939.db2.gz SJEDWUYFRKSBEG-MJGOQNOKSA-N 2 2 280.415 3.317 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185870 819690943 /nfs/dbraw/zinc/69/09/43/819690943.db2.gz SJEDWUYFRKSBEG-MJGOQNOKSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185870 819690948 /nfs/dbraw/zinc/69/09/48/819690948.db2.gz SJEDWUYFRKSBEG-MJGOQNOKSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185870 819690953 /nfs/dbraw/zinc/69/09/53/819690953.db2.gz SJEDWUYFRKSBEG-MJGOQNOKSA-N 2 2 280.415 3.317 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001237203374 819697540 /nfs/dbraw/zinc/69/75/40/819697540.db2.gz DZAJSPXIACPCKG-ACJLOTCBSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001237203374 819697542 /nfs/dbraw/zinc/69/75/42/819697542.db2.gz DZAJSPXIACPCKG-ACJLOTCBSA-N 2 2 284.378 3.414 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1C)C1CC[NH+](C)CC1 ZINC001237324011 819726204 /nfs/dbraw/zinc/72/62/04/819726204.db2.gz ZCTFFJLHPIWYLQ-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1C)C1CC[NH+](C)CC1 ZINC001237324011 819726211 /nfs/dbraw/zinc/72/62/11/819726211.db2.gz ZCTFFJLHPIWYLQ-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)o1 ZINC001237367207 819737030 /nfs/dbraw/zinc/73/70/30/819737030.db2.gz BDAVQYRMZVLUEU-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)o1 ZINC001237367207 819737034 /nfs/dbraw/zinc/73/70/34/819737034.db2.gz BDAVQYRMZVLUEU-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237404701 819744664 /nfs/dbraw/zinc/74/46/64/819744664.db2.gz OWUNVBXQBSGMFH-AAEUAGOBSA-N 2 2 282.478 3.044 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237404701 819744667 /nfs/dbraw/zinc/74/46/67/819744667.db2.gz OWUNVBXQBSGMFH-AAEUAGOBSA-N 2 2 282.478 3.044 20 0 CGADLP Cc1cnc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1 ZINC001238436245 819996827 /nfs/dbraw/zinc/99/68/27/819996827.db2.gz SUQJVPZMEGCWAF-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238516270 820034712 /nfs/dbraw/zinc/03/47/12/820034712.db2.gz LUXGCYFPMCGAIO-HOTGVXAUSA-N 2 2 288.410 3.087 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567947 820046108 /nfs/dbraw/zinc/04/61/08/820046108.db2.gz WFPGSMAWQWJOSF-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567947 820046116 /nfs/dbraw/zinc/04/61/16/820046116.db2.gz WFPGSMAWQWJOSF-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567947 820046124 /nfs/dbraw/zinc/04/61/24/820046124.db2.gz WFPGSMAWQWJOSF-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567947 820046132 /nfs/dbraw/zinc/04/61/32/820046132.db2.gz WFPGSMAWQWJOSF-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239488755 820339040 /nfs/dbraw/zinc/33/90/40/820339040.db2.gz FYUMMDWNDQEKAJ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239488755 820339051 /nfs/dbraw/zinc/33/90/51/820339051.db2.gz FYUMMDWNDQEKAJ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)[nH+]c1N ZINC001240050134 820802852 /nfs/dbraw/zinc/80/28/52/820802852.db2.gz NNCMZZKDLJMKOT-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP CN(C)c1cc[nH+]c(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240383260 821006992 /nfs/dbraw/zinc/00/69/92/821006992.db2.gz AEJBABDZTBOMQB-UHFFFAOYSA-N 2 2 293.414 3.437 20 0 CGADLP CN(C)c1cc[nH+]c(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240383260 821007001 /nfs/dbraw/zinc/00/70/01/821007001.db2.gz AEJBABDZTBOMQB-UHFFFAOYSA-N 2 2 293.414 3.437 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001241581428 821967512 /nfs/dbraw/zinc/96/75/12/821967512.db2.gz XASWRKUIQBCZEE-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP CSc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001241637511 822017726 /nfs/dbraw/zinc/01/77/26/822017726.db2.gz YZUAQPNSFLDQBU-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cn1 ZINC001241637511 822017727 /nfs/dbraw/zinc/01/77/27/822017727.db2.gz YZUAQPNSFLDQBU-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP COc1ccc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241674396 822057106 /nfs/dbraw/zinc/05/71/06/822057106.db2.gz ZICMURFQZUBWCD-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP COc1ccc(-c2cc(C)[nH+]c(C)c2)cc1C[NH+](C)C ZINC001241994869 822263796 /nfs/dbraw/zinc/26/37/96/822263796.db2.gz VSMBGYOOZDEABQ-UHFFFAOYSA-N 2 2 270.376 3.436 20 0 CGADLP Cc1cc([NH2+][C@@H](C)C2CCC2)ccc1N1CC[NH+](C)CC1 ZINC001344367598 936532164 /nfs/dbraw/zinc/53/21/64/936532164.db2.gz YGKBPDUCGUWFCY-HNNXBMFYSA-N 2 2 287.451 3.347 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399002614 926753040 /nfs/dbraw/zinc/75/30/40/926753040.db2.gz DREDYKAFTUXFIG-WQVCFCJDSA-N 2 2 264.388 3.253 20 0 CGADLP CCC(O)(CC)C(C)(C)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001473737257 937201494 /nfs/dbraw/zinc/20/14/94/937201494.db2.gz XWDUEKJSWWYMHV-HNNXBMFYSA-N 2 2 284.488 3.169 20 0 CGADLP CCC(O)(CC)C(C)(C)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC001473737257 937201497 /nfs/dbraw/zinc/20/14/97/937201497.db2.gz XWDUEKJSWWYMHV-HNNXBMFYSA-N 2 2 284.488 3.169 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc(C)cc2C1 ZINC001172830761 928225722 /nfs/dbraw/zinc/22/57/22/928225722.db2.gz KJXXYMMHXJQZOM-IBGZPJMESA-N 2 2 286.463 3.268 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc(C)cc2C1 ZINC001172830761 928225726 /nfs/dbraw/zinc/22/57/26/928225726.db2.gz KJXXYMMHXJQZOM-IBGZPJMESA-N 2 2 286.463 3.268 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2SC)C1 ZINC001560945247 937238955 /nfs/dbraw/zinc/23/89/55/937238955.db2.gz UWQJJAYOUZSREU-GOEBONIOSA-N 2 2 292.492 3.413 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2SC)C1 ZINC001560945247 937238957 /nfs/dbraw/zinc/23/89/57/937238957.db2.gz UWQJJAYOUZSREU-GOEBONIOSA-N 2 2 292.492 3.413 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(F)c1 ZINC001275428319 928521964 /nfs/dbraw/zinc/52/19/64/928521964.db2.gz YOSFIEWWQMNYSU-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(F)c1 ZINC001275428319 928521972 /nfs/dbraw/zinc/52/19/72/928521972.db2.gz YOSFIEWWQMNYSU-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(F)c1 ZINC001275428319 928521976 /nfs/dbraw/zinc/52/19/76/928521976.db2.gz YOSFIEWWQMNYSU-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(F)c1 ZINC001275428319 928521982 /nfs/dbraw/zinc/52/19/82/928521982.db2.gz YOSFIEWWQMNYSU-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP COc1ccc2cc(NC[C@H]3CCC[NH2+]C[C@@H]3C)[nH+]cc2c1 ZINC001162452243 931989792 /nfs/dbraw/zinc/98/97/92/931989792.db2.gz CUZHNHACXXQYFY-DZGCQCFKSA-N 2 2 299.418 3.291 20 0 CGADLP CCc1cc(NCC2(C[NH+](C)C)CCCC2)nc(CC)[nH+]1 ZINC001307090787 932912903 /nfs/dbraw/zinc/91/29/03/932912903.db2.gz OZXMZIUKDBWABV-UHFFFAOYSA-N 2 2 290.455 3.135 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001307924362 933021671 /nfs/dbraw/zinc/02/16/71/933021671.db2.gz QAYFVHAKDYQCAR-KFWWJZLASA-N 2 2 254.462 3.379 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001308264223 933083411 /nfs/dbraw/zinc/08/34/11/933083411.db2.gz IWSPSOSXLSGOMN-ZJIFWQFVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001308264223 933083414 /nfs/dbraw/zinc/08/34/14/933083414.db2.gz IWSPSOSXLSGOMN-ZJIFWQFVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308361243 933101363 /nfs/dbraw/zinc/10/13/63/933101363.db2.gz ZEXBVPHIJUABFR-CYBMUJFWSA-N 2 2 266.348 3.051 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)C1 ZINC001308764037 933172946 /nfs/dbraw/zinc/17/29/46/933172946.db2.gz DLCQBMHDYKRGHP-ULQDDVLXSA-N 2 2 288.435 3.015 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)C1 ZINC001308764037 933172951 /nfs/dbraw/zinc/17/29/51/933172951.db2.gz DLCQBMHDYKRGHP-ULQDDVLXSA-N 2 2 288.435 3.015 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C/C=C\Cl)[nH+]1 ZINC001324297892 934482050 /nfs/dbraw/zinc/48/20/50/934482050.db2.gz LNAGRAKIMTVFCD-UKOWJOKBSA-N 2 2 265.788 3.019 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C/C=C\Cl)[nH+]1 ZINC001324297892 934482055 /nfs/dbraw/zinc/48/20/55/934482055.db2.gz LNAGRAKIMTVFCD-UKOWJOKBSA-N 2 2 265.788 3.019 20 0 CGADLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CCC(C)C ZINC001325242430 934897866 /nfs/dbraw/zinc/89/78/66/934897866.db2.gz QJXPSZAIYDHVTH-UHFFFAOYSA-N 2 2 280.412 3.094 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327883946 935094725 /nfs/dbraw/zinc/09/47/25/935094725.db2.gz OHBZHVFLOTZELC-KGLIPLIRSA-N 2 2 299.409 3.356 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327883946 935094732 /nfs/dbraw/zinc/09/47/32/935094732.db2.gz OHBZHVFLOTZELC-KGLIPLIRSA-N 2 2 299.409 3.356 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC001332691595 935482290 /nfs/dbraw/zinc/48/22/90/935482290.db2.gz NTJUYDAXSUCCQE-UHZVSMRUSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2cccc(F)c2)CC[N@H+]1C ZINC001332691595 935482294 /nfs/dbraw/zinc/48/22/94/935482294.db2.gz NTJUYDAXSUCCQE-UHZVSMRUSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2cccc(F)c2)CC[NH+]1C ZINC001332691595 935482296 /nfs/dbraw/zinc/48/22/96/935482296.db2.gz NTJUYDAXSUCCQE-UHZVSMRUSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2cccc(F)c2)CC[NH+]1C ZINC001332691595 935482299 /nfs/dbraw/zinc/48/22/99/935482299.db2.gz NTJUYDAXSUCCQE-UHZVSMRUSA-N 2 2 276.399 3.253 20 0 CGADLP Cc1ccc(CC2CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC001333176811 935516251 /nfs/dbraw/zinc/51/62/51/935516251.db2.gz UOLVGIQEGQAUEM-INIZCTEOSA-N 2 2 296.405 3.232 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126538 936086320 /nfs/dbraw/zinc/08/63/20/936086320.db2.gz RLLRYAFJDUJIJW-CABCVRRESA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126538 936086325 /nfs/dbraw/zinc/08/63/25/936086325.db2.gz RLLRYAFJDUJIJW-CABCVRRESA-N 2 2 286.423 3.091 20 0 CGADLP CCCn1c[nH+]cc1CNc1cc(C)cc(C[NH+](C)C)c1 ZINC001474098211 937840060 /nfs/dbraw/zinc/84/00/60/937840060.db2.gz HPAXWGGLJZNPOQ-UHFFFAOYSA-N 2 2 286.423 3.275 20 0 CGADLP Cn1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320793 937851398 /nfs/dbraw/zinc/85/13/98/937851398.db2.gz QKBSIYAYYHCPDV-FUHWJXTLSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320793 937851400 /nfs/dbraw/zinc/85/14/00/937851400.db2.gz QKBSIYAYYHCPDV-FUHWJXTLSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc2ccccc21 ZINC001474320793 937851402 /nfs/dbraw/zinc/85/14/02/937851402.db2.gz QKBSIYAYYHCPDV-FUHWJXTLSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc2ccccc21 ZINC001474320793 937851404 /nfs/dbraw/zinc/85/14/04/937851404.db2.gz QKBSIYAYYHCPDV-FUHWJXTLSA-N 2 2 297.446 3.094 20 0 CGADLP C[C@@H](CCOCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001474450254 937860307 /nfs/dbraw/zinc/86/03/07/937860307.db2.gz KHZXMBNVQJRPSL-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC001474538528 937865935 /nfs/dbraw/zinc/86/59/35/937865935.db2.gz VREBVWFDJKKCEY-OKZBNKHCSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC001474538528 937865937 /nfs/dbraw/zinc/86/59/37/937865937.db2.gz VREBVWFDJKKCEY-OKZBNKHCSA-N 2 2 296.499 3.028 20 0 CGADLP COCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCC1 ZINC001474671673 937874199 /nfs/dbraw/zinc/87/41/99/937874199.db2.gz WSWMWWHXXGVZOZ-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP COCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCC1 ZINC001474671673 937874200 /nfs/dbraw/zinc/87/42/00/937874200.db2.gz WSWMWWHXXGVZOZ-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP c1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC001549338285 938156641 /nfs/dbraw/zinc/15/66/41/938156641.db2.gz WKJHQFSFBHNCOB-YESZJQIVSA-N 2 2 270.420 3.054 20 0 CGADLP FC(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001549546335 938158098 /nfs/dbraw/zinc/15/80/98/938158098.db2.gz NKOMGZJKUAQKGL-UMVBOHGHSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001549546335 938158099 /nfs/dbraw/zinc/15/80/99/938158099.db2.gz NKOMGZJKUAQKGL-UMVBOHGHSA-N 2 2 286.410 3.417 20 0 CGADLP Cc1ccc2[nH]c(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)[nH+]c2c1 ZINC001551225614 938178175 /nfs/dbraw/zinc/17/81/75/938178175.db2.gz MKZJPBDJMQVMSB-ZNMIVQPWSA-N 2 2 298.434 3.038 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC001551379244 938180826 /nfs/dbraw/zinc/18/08/26/938180826.db2.gz WCIMLQGTLFFNSE-OSMBCOQSSA-N 2 2 276.399 3.119 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551401152 938181618 /nfs/dbraw/zinc/18/16/18/938181618.db2.gz HKEQVBFGMUNHAS-CVEARBPZSA-N 2 2 272.417 3.025 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001551401728 938181910 /nfs/dbraw/zinc/18/19/10/938181910.db2.gz JSGCJDXBPSARNY-CVEARBPZSA-N 2 2 272.779 3.054 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815247 938200948 /nfs/dbraw/zinc/20/09/48/938200948.db2.gz BFHJUSXXWSFWFK-MRXNPFEDSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815247 938200949 /nfs/dbraw/zinc/20/09/49/938200949.db2.gz BFHJUSXXWSFWFK-MRXNPFEDSA-N 2 2 294.402 3.281 20 0 CGADLP CC(C)C([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001559685979 938232992 /nfs/dbraw/zinc/23/29/92/938232992.db2.gz OWYFRLCYSRTMOU-HUUCEWRRSA-N 2 2 254.462 3.235 20 0 CGADLP C=C/C=C/CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560099043 938243818 /nfs/dbraw/zinc/24/38/18/938243818.db2.gz ZQJZWZPQWMFYJV-REMYHPOOSA-N 2 2 267.376 3.346 20 0 CGADLP CC(C)c1ncc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC001560285655 938250981 /nfs/dbraw/zinc/25/09/81/938250981.db2.gz CEGGGGPRDZPUCE-UHFFFAOYSA-N 2 2 278.425 3.033 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001560361055 938254992 /nfs/dbraw/zinc/25/49/92/938254992.db2.gz HSABEIXKOSUJNA-SWLSCSKDSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001560361055 938254993 /nfs/dbraw/zinc/25/49/93/938254993.db2.gz HSABEIXKOSUJNA-SWLSCSKDSA-N 2 2 296.842 3.311 20 0 CGADLP C[NH+](C)C1(C[NH2+]C[C@H]2CCCC(C)(C)C2)CCC1 ZINC001560442953 938257892 /nfs/dbraw/zinc/25/78/92/938257892.db2.gz HCRIOEAUBPCMFQ-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CCOC1CC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001560784150 938275936 /nfs/dbraw/zinc/27/59/36/938275936.db2.gz IYVXSEAVSWFVDG-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)C1(C[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001560805778 938276862 /nfs/dbraw/zinc/27/68/62/938276862.db2.gz LPYOGVIGKWUKQX-CQSZACIVSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)C1(C[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001560805778 938276864 /nfs/dbraw/zinc/27/68/64/938276864.db2.gz LPYOGVIGKWUKQX-CQSZACIVSA-N 2 2 252.446 3.133 20 0 CGADLP C1C[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]2C1 ZINC001560909514 938283265 /nfs/dbraw/zinc/28/32/65/938283265.db2.gz XBQXHTQLHZFTIB-ZOFXXKQRSA-N 2 2 262.441 3.172 20 0 CGADLP C1C[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]2C1 ZINC001560909514 938283266 /nfs/dbraw/zinc/28/32/66/938283266.db2.gz XBQXHTQLHZFTIB-ZOFXXKQRSA-N 2 2 262.441 3.172 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC001560954327 938285983 /nfs/dbraw/zinc/28/59/83/938285983.db2.gz MYKQXODKDVRASX-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC001560954327 938285985 /nfs/dbraw/zinc/28/59/85/938285985.db2.gz MYKQXODKDVRASX-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)SC1CCCCC1 ZINC001574794998 960464748 /nfs/dbraw/zinc/46/47/48/960464748.db2.gz JNIJVMVAGCNJCM-HOCLYGCPSA-N 2 2 282.497 3.126 20 0 CGADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)SC1CCCCC1 ZINC001574794998 960464761 /nfs/dbraw/zinc/46/47/61/960464761.db2.gz JNIJVMVAGCNJCM-HOCLYGCPSA-N 2 2 282.497 3.126 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CC2(C1)CCCCC2 ZINC001575130116 962353744 /nfs/dbraw/zinc/35/37/44/962353744.db2.gz FPJZKSXWJHPHED-CQSZACIVSA-N 2 2 252.446 3.406 20 0 CGADLP CC(C)OCCC[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC001575779933 962406634 /nfs/dbraw/zinc/40/66/34/962406634.db2.gz DMRJIJZIEYAOCR-GOSISDBHSA-N 2 2 286.419 3.244 20 0 CGADLP CC(C)[NH+](CCSCc1cc[nH+]c(N)c1)C(C)C ZINC001575690988 962413553 /nfs/dbraw/zinc/41/35/53/962413553.db2.gz VWXOGRSZHRKBDG-UHFFFAOYSA-N 2 2 267.442 3.016 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001576489539 962470989 /nfs/dbraw/zinc/47/09/89/962470989.db2.gz QALTZPNSEOEZOA-INIZCTEOSA-N 2 2 258.409 3.184 20 0 CGADLP C[NH2+]Cc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC001578740474 962600761 /nfs/dbraw/zinc/60/07/61/962600761.db2.gz OPMIHEYOLMTHJE-UHFFFAOYSA-N 2 2 285.391 3.039 20 0 CGADLP Cc1cc(N[C@@H]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c[nH+]c1C ZINC001579635314 962644042 /nfs/dbraw/zinc/64/40/42/962644042.db2.gz DGUQEZBUOZTERQ-LZWOXQAQSA-N 2 2 259.397 3.031 20 0 CGADLP Cc1n[nH]cc1C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC001579840118 962680394 /nfs/dbraw/zinc/68/03/94/962680394.db2.gz WSABQJXBSNFUQK-HNNXBMFYSA-N 2 2 292.471 3.051 20 0 CGADLP c1[nH+]c(-c2cccc(N[C@@H]3CCC[NH2+]C3)c2)n2c1CCCC2 ZINC001580891498 962744080 /nfs/dbraw/zinc/74/40/80/962744080.db2.gz ZXZMBZUJXNMZMD-MRXNPFEDSA-N 2 2 296.418 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCC[N@@H+]1C ZINC000337393656 214050774 /nfs/dbraw/zinc/05/07/74/214050774.db2.gz BGENIYQBPKDSGX-CYGHRXIMSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCC[N@H+]1C ZINC000337393656 214050776 /nfs/dbraw/zinc/05/07/76/214050776.db2.gz BGENIYQBPKDSGX-CYGHRXIMSA-N 2 2 287.451 3.180 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC23CCOCC3)c[nH+]1 ZINC000337404707 214058441 /nfs/dbraw/zinc/05/84/41/214058441.db2.gz SVDWUKWSBOWVKM-QGZVFWFLSA-N 2 2 288.435 3.262 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261528 349484531 /nfs/dbraw/zinc/48/45/31/349484531.db2.gz TYZSGHOECQLINT-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261528 349484533 /nfs/dbraw/zinc/48/45/33/349484533.db2.gz TYZSGHOECQLINT-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261528 349484536 /nfs/dbraw/zinc/48/45/36/349484536.db2.gz TYZSGHOECQLINT-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP Clc1cncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000621258651 349483441 /nfs/dbraw/zinc/48/34/41/349483441.db2.gz UIEAVWSVFDENDJ-INIZCTEOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000621258651 349483444 /nfs/dbraw/zinc/48/34/44/349483444.db2.gz UIEAVWSVFDENDJ-INIZCTEOSA-N 2 2 293.842 3.185 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261528 349484528 /nfs/dbraw/zinc/48/45/28/349484528.db2.gz TYZSGHOECQLINT-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337525601 214138898 /nfs/dbraw/zinc/13/88/98/214138898.db2.gz RKQIPBDOKIXABT-SJLPKXTDSA-N 2 2 299.418 3.167 20 0 CGADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337528538 214140674 /nfs/dbraw/zinc/14/06/74/214140674.db2.gz BUOHYHWIPQYEIT-INIZCTEOSA-N 2 2 299.418 3.360 20 0 CGADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337528538 214140677 /nfs/dbraw/zinc/14/06/77/214140677.db2.gz BUOHYHWIPQYEIT-INIZCTEOSA-N 2 2 299.418 3.360 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c[nH+]1 ZINC000337559107 214155314 /nfs/dbraw/zinc/15/53/14/214155314.db2.gz ZDHGZIZULZLQQH-HUUCEWRRSA-N 2 2 298.377 3.463 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000294967426 199274436 /nfs/dbraw/zinc/27/44/36/199274436.db2.gz JQSKSVPKDYMTGJ-CZUORRHYSA-N 2 2 287.407 3.072 20 0 CGADLP CC[N@@H+]1CCCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000125227510 187175093 /nfs/dbraw/zinc/17/50/93/187175093.db2.gz QGEXLSRMGQNNHW-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP CC[N@H+]1CCCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000125227510 187175094 /nfs/dbraw/zinc/17/50/94/187175094.db2.gz QGEXLSRMGQNNHW-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000621775427 349584958 /nfs/dbraw/zinc/58/49/58/349584958.db2.gz OWCJFMGEHXXPCV-HNNXBMFYSA-N 2 2 278.783 3.303 20 0 CGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000449400868 529397361 /nfs/dbraw/zinc/39/73/61/529397361.db2.gz DNNGSMIQHOSLRH-IUODEOHRSA-N 2 2 293.436 3.085 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986532 214344191 /nfs/dbraw/zinc/34/41/91/214344191.db2.gz NZRCKYCPQFCQHW-CVEARBPZSA-N 2 2 270.436 3.226 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000337994457 214349672 /nfs/dbraw/zinc/34/96/72/214349672.db2.gz LNJUHQTUZOGDOA-RTBURBONSA-N 2 2 299.462 3.214 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000338026099 214368594 /nfs/dbraw/zinc/36/85/94/214368594.db2.gz ZTTKLUABEOIEIC-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000338026099 214368596 /nfs/dbraw/zinc/36/85/96/214368596.db2.gz ZTTKLUABEOIEIC-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000652042201 398319852 /nfs/dbraw/zinc/31/98/52/398319852.db2.gz NTHILQYADANSFF-UHFFFAOYSA-N 2 2 290.373 3.326 20 0 CGADLP CCc1cc[nH+]cc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000651979177 398314920 /nfs/dbraw/zinc/31/49/20/398314920.db2.gz AIWPMBGEABXQGP-UHFFFAOYSA-N 2 2 296.418 3.116 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[NH2+]C ZINC000423228384 529416439 /nfs/dbraw/zinc/41/64/39/529416439.db2.gz ZKSNSFXXQRNXES-GFCCVEGCSA-N 2 2 272.845 3.020 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[NH+](C)C)c1ccc(F)cc1 ZINC000652199462 398327136 /nfs/dbraw/zinc/32/71/36/398327136.db2.gz RXAUHVRUVRPBNZ-OAHLLOKOSA-N 2 2 252.377 3.064 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000423481070 529453476 /nfs/dbraw/zinc/45/34/76/529453476.db2.gz WOGKKYCCTPIFHN-CABZTGNLSA-N 2 2 258.768 3.257 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423463984 529567940 /nfs/dbraw/zinc/56/79/40/529567940.db2.gz LQDFCBJJIMPUAZ-JOYOIKCWSA-N 2 2 266.772 3.474 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000423462150 529568813 /nfs/dbraw/zinc/56/88/13/529568813.db2.gz KLDUHDIDEWIYTD-RNFRBKRXSA-N 2 2 267.225 3.443 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@@H]1C ZINC000623089524 349758620 /nfs/dbraw/zinc/75/86/20/349758620.db2.gz LAAJKBZPUAFAAB-VNHYZAJKSA-N 2 2 288.426 3.378 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337594 349781790 /nfs/dbraw/zinc/78/17/90/349781790.db2.gz PYBDXQAOWJRMCG-WCQYABFASA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337594 349781791 /nfs/dbraw/zinc/78/17/91/349781791.db2.gz PYBDXQAOWJRMCG-WCQYABFASA-N 2 2 282.378 3.488 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423499919 529616665 /nfs/dbraw/zinc/61/66/65/529616665.db2.gz JXMHQHQURTYIEM-MLGOLLRUSA-N 2 2 287.382 3.134 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000423501093 529616699 /nfs/dbraw/zinc/61/66/99/529616699.db2.gz KYIDLVHAZSNJQK-WBQNTZJQSA-N 2 2 260.425 3.273 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1OC ZINC000423259709 529668762 /nfs/dbraw/zinc/66/87/62/529668762.db2.gz FQJWCGCRXXTRMI-ZFWWWQNUSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000350950275 219071527 /nfs/dbraw/zinc/07/15/27/219071527.db2.gz MJTVCCGENCOMEK-JJXSEGSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000350950275 219071528 /nfs/dbraw/zinc/07/15/28/219071528.db2.gz MJTVCCGENCOMEK-JJXSEGSLSA-N 2 2 252.446 3.370 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450145 349812383 /nfs/dbraw/zinc/81/23/83/349812383.db2.gz WIQSWUQIJXVCHF-GXTWGEPZSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450145 349812384 /nfs/dbraw/zinc/81/23/84/349812384.db2.gz WIQSWUQIJXVCHF-GXTWGEPZSA-N 2 2 294.826 3.236 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000351506561 136380518 /nfs/dbraw/zinc/38/05/18/136380518.db2.gz USRDLLCGCIPECT-ZIAGYGMSSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000351506561 136380519 /nfs/dbraw/zinc/38/05/19/136380519.db2.gz USRDLLCGCIPECT-ZIAGYGMSSA-N 2 2 290.455 3.252 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000295000938 199294157 /nfs/dbraw/zinc/29/41/57/199294157.db2.gz RNEVOXOWLDJLTH-KBXCAEBGSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000295000938 199294159 /nfs/dbraw/zinc/29/41/59/199294159.db2.gz RNEVOXOWLDJLTH-KBXCAEBGSA-N 2 2 297.402 3.169 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000423381144 529728891 /nfs/dbraw/zinc/72/88/91/529728891.db2.gz HSODDQIWXPQCFS-YPMHNXCESA-N 2 2 295.496 3.443 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295029232 199308450 /nfs/dbraw/zinc/30/84/50/199308450.db2.gz MWRKFSSTCIVVSG-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295029232 199308452 /nfs/dbraw/zinc/30/84/52/199308452.db2.gz MWRKFSSTCIVVSG-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CN(C)c1ccc(CNc2cc[nH+]c3cc(F)ccc23)c[nH+]1 ZINC000354694203 529782237 /nfs/dbraw/zinc/78/22/37/529782237.db2.gz ZLPBADYTTVADCK-UHFFFAOYSA-N 2 2 296.349 3.447 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CCCCC4)CC2)nc1 ZINC000623569187 349837534 /nfs/dbraw/zinc/83/75/34/349837534.db2.gz XHDABTMDINLBKA-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548531 219123471 /nfs/dbraw/zinc/12/34/71/219123471.db2.gz RWJIIBVTBKIJNA-HNNXBMFYSA-N 2 2 297.446 3.400 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548531 219123473 /nfs/dbraw/zinc/12/34/73/219123473.db2.gz RWJIIBVTBKIJNA-HNNXBMFYSA-N 2 2 297.446 3.400 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548531 219123475 /nfs/dbraw/zinc/12/34/75/219123475.db2.gz RWJIIBVTBKIJNA-HNNXBMFYSA-N 2 2 297.446 3.400 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000351548531 219123477 /nfs/dbraw/zinc/12/34/77/219123477.db2.gz RWJIIBVTBKIJNA-HNNXBMFYSA-N 2 2 297.446 3.400 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000623852838 349896129 /nfs/dbraw/zinc/89/61/29/349896129.db2.gz CGVVXCVAABXBTO-KGLIPLIRSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)n1 ZINC000623852838 349896132 /nfs/dbraw/zinc/89/61/32/349896132.db2.gz CGVVXCVAABXBTO-KGLIPLIRSA-N 2 2 281.469 3.367 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423227184 529978403 /nfs/dbraw/zinc/97/84/03/529978403.db2.gz UTBPQUTUNHAIEO-VIFPVBQESA-N 2 2 281.450 3.050 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423228514 529978841 /nfs/dbraw/zinc/97/88/41/529978841.db2.gz ZXMTWMHWLGQDEF-LLVKDONJSA-N 2 2 278.396 3.424 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423225924 529979121 /nfs/dbraw/zinc/97/91/21/529979121.db2.gz OTMPYBJPBFAYFC-OAHLLOKOSA-N 2 2 260.381 3.329 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423284977 529985737 /nfs/dbraw/zinc/98/57/37/529985737.db2.gz ZCKKHPWTIRQCEB-OLZOCXBDSA-N 2 2 289.448 3.316 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423376725 530041221 /nfs/dbraw/zinc/04/12/21/530041221.db2.gz BDPFLYLABQQMMJ-MAUKXSAKSA-N 2 2 268.404 3.168 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423396498 530041374 /nfs/dbraw/zinc/04/13/74/530041374.db2.gz RRILQYRNBPKTPZ-MAUKXSAKSA-N 2 2 268.404 3.282 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cc3ccccc3o2)c[nH+]1 ZINC000044353199 345009430 /nfs/dbraw/zinc/00/94/30/345009430.db2.gz CWJBKTRPWOJMTO-UHFFFAOYSA-N 2 2 269.348 3.199 20 0 CGADLP C[C@@H](CC[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000045106447 345020863 /nfs/dbraw/zinc/02/08/63/345020863.db2.gz SOEXBQMLKQWNRY-INIZCTEOSA-N 2 2 271.408 3.447 20 0 CGADLP C[C@H](CC[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000045106449 345021321 /nfs/dbraw/zinc/02/13/21/345021321.db2.gz SOEXBQMLKQWNRY-MRXNPFEDSA-N 2 2 271.408 3.447 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000063192002 345244175 /nfs/dbraw/zinc/24/41/75/345244175.db2.gz HYFZHOPUUBJGKE-RISCZKNCSA-N 2 2 252.427 3.012 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000063192002 345244177 /nfs/dbraw/zinc/24/41/77/345244177.db2.gz HYFZHOPUUBJGKE-RISCZKNCSA-N 2 2 252.427 3.012 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089605909 232179698 /nfs/dbraw/zinc/17/96/98/232179698.db2.gz HNSNDOGCNIGNAO-JKSUJKDBSA-N 2 2 287.451 3.466 20 0 CGADLP Fc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000078887933 345623697 /nfs/dbraw/zinc/62/36/97/345623697.db2.gz HUGWLSZHYJJFCD-UHFFFAOYSA-N 2 2 295.361 3.360 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645001 219159776 /nfs/dbraw/zinc/15/97/76/219159776.db2.gz UJRBJWZDKGLZIP-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645001 219159779 /nfs/dbraw/zinc/15/97/79/219159779.db2.gz UJRBJWZDKGLZIP-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645001 219159783 /nfs/dbraw/zinc/15/97/83/219159783.db2.gz UJRBJWZDKGLZIP-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C[C@@H]1C ZINC000351645001 219159785 /nfs/dbraw/zinc/15/97/85/219159785.db2.gz UJRBJWZDKGLZIP-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000083447677 345725717 /nfs/dbraw/zinc/72/57/17/345725717.db2.gz DCIUDTHYMBRWMY-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(C)s1 ZINC000090046686 345778321 /nfs/dbraw/zinc/77/83/21/345778321.db2.gz YUIIFPNMLGEDMN-GXTWGEPZSA-N 2 2 296.480 3.126 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073837 345829908 /nfs/dbraw/zinc/82/99/08/345829908.db2.gz DCCXXRAWHSFKMX-NSHDSACASA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073837 345829913 /nfs/dbraw/zinc/82/99/13/345829913.db2.gz DCCXXRAWHSFKMX-NSHDSACASA-N 2 2 277.318 3.068 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000093116474 345870178 /nfs/dbraw/zinc/87/01/78/345870178.db2.gz SLYRNLBNGFXPCE-WBHUJUFNSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000093116474 345870180 /nfs/dbraw/zinc/87/01/80/345870180.db2.gz SLYRNLBNGFXPCE-WBHUJUFNSA-N 2 2 288.410 3.418 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCCCC1 ZINC000486982538 535016543 /nfs/dbraw/zinc/01/65/43/535016543.db2.gz BJQIXQGFACYKDL-CVEARBPZSA-N 2 2 284.513 3.230 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000131524880 346065775 /nfs/dbraw/zinc/06/57/75/346065775.db2.gz HZMLUODBDXQKLS-GXSJLCMTSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000131524880 346065776 /nfs/dbraw/zinc/06/57/76/346065776.db2.gz HZMLUODBDXQKLS-GXSJLCMTSA-N 2 2 273.207 3.305 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345389795 346507961 /nfs/dbraw/zinc/50/79/61/346507961.db2.gz NEWCLZHAGBMONI-XJKSGUPXSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345389795 346507963 /nfs/dbraw/zinc/50/79/63/346507963.db2.gz NEWCLZHAGBMONI-XJKSGUPXSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000339345386 215108440 /nfs/dbraw/zinc/10/84/40/215108440.db2.gz VCAPAGBWZMFFIM-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000339345386 215108442 /nfs/dbraw/zinc/10/84/42/215108442.db2.gz VCAPAGBWZMFFIM-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc(O)c1Cl)C[NH+]1CCCC1 ZINC000339372772 215130152 /nfs/dbraw/zinc/13/01/52/215130152.db2.gz JRRXDUNITNXCRO-UHFFFAOYSA-N 2 2 296.842 3.257 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000624121744 349980252 /nfs/dbraw/zinc/98/02/52/349980252.db2.gz CEOSLLHTOXVPRO-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624121744 349980253 /nfs/dbraw/zinc/98/02/53/349980253.db2.gz CEOSLLHTOXVPRO-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000351973170 219270614 /nfs/dbraw/zinc/27/06/14/219270614.db2.gz BBOZSJOFENYGAW-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000351973170 219270616 /nfs/dbraw/zinc/27/06/16/219270616.db2.gz BBOZSJOFENYGAW-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000351973170 219270618 /nfs/dbraw/zinc/27/06/18/219270618.db2.gz BBOZSJOFENYGAW-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000351973170 219270621 /nfs/dbraw/zinc/27/06/21/219270621.db2.gz BBOZSJOFENYGAW-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000273402701 192138970 /nfs/dbraw/zinc/13/89/70/192138970.db2.gz NRVUYIGZGBQQNJ-HNNXBMFYSA-N 2 2 275.783 3.204 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000339577283 215253332 /nfs/dbraw/zinc/25/33/32/215253332.db2.gz GFXSAUIWWMCLTI-UONOGXRCSA-N 2 2 255.365 3.021 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339577283 215253335 /nfs/dbraw/zinc/25/33/35/215253335.db2.gz GFXSAUIWWMCLTI-UONOGXRCSA-N 2 2 255.365 3.021 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587147 215259923 /nfs/dbraw/zinc/25/99/23/215259923.db2.gz HRTZAUPNLKQPRI-OCLKLICZSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587147 215259925 /nfs/dbraw/zinc/25/99/25/215259925.db2.gz HRTZAUPNLKQPRI-OCLKLICZSA-N 2 2 278.827 3.126 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C)[NH+](C)C ZINC000359005305 233238633 /nfs/dbraw/zinc/23/86/33/233238633.db2.gz QSWVJPJDEADNDB-ONIAQPFYSA-N 2 2 290.451 3.001 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@@H+]1C ZINC000271211095 191003099 /nfs/dbraw/zinc/00/30/99/191003099.db2.gz UQAUPVKQYZBQTL-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@H+]1C ZINC000271211095 191003100 /nfs/dbraw/zinc/00/31/00/191003100.db2.gz UQAUPVKQYZBQTL-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211095 191003103 /nfs/dbraw/zinc/00/31/03/191003103.db2.gz UQAUPVKQYZBQTL-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211095 191003106 /nfs/dbraw/zinc/00/31/06/191003106.db2.gz UQAUPVKQYZBQTL-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP CCO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246079 350146224 /nfs/dbraw/zinc/14/62/24/350146224.db2.gz SKOZWLVGVBSSGS-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246079 350146227 /nfs/dbraw/zinc/14/62/27/350146227.db2.gz SKOZWLVGVBSSGS-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246079 350146229 /nfs/dbraw/zinc/14/62/29/350146229.db2.gz SKOZWLVGVBSSGS-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000625246079 350146230 /nfs/dbraw/zinc/14/62/30/350146230.db2.gz SKOZWLVGVBSSGS-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255153 350147839 /nfs/dbraw/zinc/14/78/39/350147839.db2.gz MJUARSXZECEDFG-WBMJQRKESA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255153 350147840 /nfs/dbraw/zinc/14/78/40/350147840.db2.gz MJUARSXZECEDFG-WBMJQRKESA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255153 350147841 /nfs/dbraw/zinc/14/78/41/350147841.db2.gz MJUARSXZECEDFG-WBMJQRKESA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625255153 350147842 /nfs/dbraw/zinc/14/78/42/350147842.db2.gz MJUARSXZECEDFG-WBMJQRKESA-N 2 2 296.842 3.208 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000359632737 233349502 /nfs/dbraw/zinc/34/95/02/233349502.db2.gz BDKVMYRPDXBALY-VXGBXAGGSA-N 2 2 298.418 3.134 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1nccs1 ZINC000271345380 191085298 /nfs/dbraw/zinc/08/52/98/191085298.db2.gz CKRWCEMPRJIHIM-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1nccs1 ZINC000271345384 191085453 /nfs/dbraw/zinc/08/54/53/191085453.db2.gz CKRWCEMPRJIHIM-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000629526200 350702064 /nfs/dbraw/zinc/70/20/64/350702064.db2.gz MYYPYYCSVCVFCH-HACGYAERSA-N 2 2 269.392 3.026 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000629527132 350702983 /nfs/dbraw/zinc/70/29/83/350702983.db2.gz LASVCYZHGDRKCG-GVDBMIGSSA-N 2 2 288.435 3.148 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537519 350705505 /nfs/dbraw/zinc/70/55/05/350705505.db2.gz JPKJHODACFHREB-NTZNESFSSA-N 2 2 281.469 3.366 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)cc2c1 ZINC000629538904 350706670 /nfs/dbraw/zinc/70/66/70/350706670.db2.gz WLROPAZUIJZJRU-QWQRMKEZSA-N 2 2 283.419 3.019 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC)cc1 ZINC000629540970 350707900 /nfs/dbraw/zinc/70/79/00/350707900.db2.gz ZEOPHYKWGPXWME-QRTARXTBSA-N 2 2 276.424 3.267 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629543898 350708376 /nfs/dbraw/zinc/70/83/76/350708376.db2.gz FLBYVDKUGQJEQO-SLEUVZQESA-N 2 2 264.438 3.200 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000629543956 350708779 /nfs/dbraw/zinc/70/87/79/350708779.db2.gz GXFDXGUXBZUCLB-COLVAYQJSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000629545248 350709162 /nfs/dbraw/zinc/70/91/62/350709162.db2.gz AUCUWTRDIILAHA-ZDEQEGDKSA-N 2 2 289.448 3.128 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000629549683 350711425 /nfs/dbraw/zinc/71/14/25/350711425.db2.gz YQFBTEUOVCINFT-CYZMBNFOSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C[NH2+]1 ZINC000629393514 350687705 /nfs/dbraw/zinc/68/77/05/350687705.db2.gz BIRSLNMYGXSQNK-AAEUAGOBSA-N 2 2 260.406 3.131 20 0 CGADLP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629651856 350730362 /nfs/dbraw/zinc/73/03/62/350730362.db2.gz LZCKROYGHDSSIX-ZWKOTPCHSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629651856 350730368 /nfs/dbraw/zinc/73/03/68/350730368.db2.gz LZCKROYGHDSSIX-ZWKOTPCHSA-N 2 2 298.430 3.069 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629659812 350732198 /nfs/dbraw/zinc/73/21/98/350732198.db2.gz HVFZSSQVZYREKR-SMDDNHRTSA-N 2 2 286.341 3.244 20 0 CGADLP Nc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000629696721 350741449 /nfs/dbraw/zinc/74/14/49/350741449.db2.gz GNDQMEJABLIWQE-UHFFFAOYSA-N 2 2 267.376 3.147 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000630073903 350807748 /nfs/dbraw/zinc/80/77/48/350807748.db2.gz XVAPXKXDDBNGQO-UHFFFAOYSA-N 2 2 297.393 3.325 20 0 CGADLP CCc1cc(N)nc(SCc2c(C)cc(C)[nH+]c2C)[nH+]1 ZINC000631016438 350925051 /nfs/dbraw/zinc/92/50/51/350925051.db2.gz KVRPZMUGEPGZBI-UHFFFAOYSA-N 2 2 288.420 3.064 20 0 CGADLP Cc1[nH+]cc(CNc2c(C)ccc3c[nH+]ccc32)n1C ZINC000631227986 350999475 /nfs/dbraw/zinc/99/94/75/350999475.db2.gz PPDJDELUDUQUQF-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1Cl ZINC000631889371 351152557 /nfs/dbraw/zinc/15/25/57/351152557.db2.gz FAEHEZLJOHECHU-WFASDCNBSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1Cl ZINC000631889371 351152558 /nfs/dbraw/zinc/15/25/58/351152558.db2.gz FAEHEZLJOHECHU-WFASDCNBSA-N 2 2 282.790 3.053 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631757399 351138496 /nfs/dbraw/zinc/13/84/96/351138496.db2.gz XJWSRKQONFACDK-LERXQTSPSA-N 2 2 295.308 3.474 20 0 CGADLP FC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000631798536 351144598 /nfs/dbraw/zinc/14/45/98/351144598.db2.gz UZAJHHGIKQYZMV-MRXNPFEDSA-N 2 2 280.362 3.053 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000634732787 351578252 /nfs/dbraw/zinc/57/82/52/351578252.db2.gz OWFGCIBPEZXBOK-HNNXBMFYSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634952581 351608858 /nfs/dbraw/zinc/60/88/58/351608858.db2.gz CZCLPNBEVAOMLH-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634952581 351608859 /nfs/dbraw/zinc/60/88/59/351608859.db2.gz CZCLPNBEVAOMLH-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000634998119 351621016 /nfs/dbraw/zinc/62/10/16/351621016.db2.gz AZJPIYXSLLPZEM-AWEZNQCLSA-N 2 2 294.414 3.042 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)s1 ZINC000635011446 351629394 /nfs/dbraw/zinc/62/93/94/351629394.db2.gz NXGMYNQDHCLTMZ-ZWNOBZJWSA-N 2 2 281.469 3.189 20 0 CGADLP COCC[C@@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000339864194 215370700 /nfs/dbraw/zinc/37/07/00/215370700.db2.gz CBGMPOGQNCUIKJ-SFHVURJKSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000122308756 187026040 /nfs/dbraw/zinc/02/60/40/187026040.db2.gz YGUPJGHLAPZYBM-FZMZJTMJSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000122308756 187026041 /nfs/dbraw/zinc/02/60/41/187026041.db2.gz YGUPJGHLAPZYBM-FZMZJTMJSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000122320773 187026591 /nfs/dbraw/zinc/02/65/91/187026591.db2.gz BEJVGYGMPJWDDZ-DGCLKSJQSA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000122320773 187026592 /nfs/dbraw/zinc/02/65/92/187026592.db2.gz BEJVGYGMPJWDDZ-DGCLKSJQSA-N 2 2 296.361 3.003 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000364371210 234039163 /nfs/dbraw/zinc/03/91/63/234039163.db2.gz BLDSXXWVENQQDL-MRXNPFEDSA-N 2 2 291.439 3.083 20 0 CGADLP COCCCCC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000364371210 234039166 /nfs/dbraw/zinc/03/91/66/234039166.db2.gz BLDSXXWVENQQDL-MRXNPFEDSA-N 2 2 291.439 3.083 20 0 CGADLP CC(C)[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000292121739 198171858 /nfs/dbraw/zinc/17/18/58/198171858.db2.gz IAZLOOIDJPJXNB-HNNXBMFYSA-N 2 2 257.381 3.355 20 0 CGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000292121739 198171860 /nfs/dbraw/zinc/17/18/60/198171860.db2.gz IAZLOOIDJPJXNB-HNNXBMFYSA-N 2 2 257.381 3.355 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139863 198178239 /nfs/dbraw/zinc/17/82/39/198178239.db2.gz MGOQDQQUCKCZNC-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139863 198178240 /nfs/dbraw/zinc/17/82/40/198178240.db2.gz MGOQDQQUCKCZNC-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139863 198178242 /nfs/dbraw/zinc/17/82/42/198178242.db2.gz MGOQDQQUCKCZNC-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139863 198178243 /nfs/dbraw/zinc/17/82/43/198178243.db2.gz MGOQDQQUCKCZNC-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154602924 188152753 /nfs/dbraw/zinc/15/27/53/188152753.db2.gz PJRWSPFGXBOCJT-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154602924 188152754 /nfs/dbraw/zinc/15/27/54/188152754.db2.gz PJRWSPFGXBOCJT-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783924 188161240 /nfs/dbraw/zinc/16/12/40/188161240.db2.gz KOIWISCZRRZOSZ-JKIFEVAISA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783924 188161241 /nfs/dbraw/zinc/16/12/41/188161241.db2.gz KOIWISCZRRZOSZ-JKIFEVAISA-N 2 2 299.418 3.160 20 0 CGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155664454 188219899 /nfs/dbraw/zinc/21/98/99/188219899.db2.gz IDJUDLPJQWPXJG-AWEZNQCLSA-N 2 2 291.782 3.040 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccco1 ZINC000156203872 188248878 /nfs/dbraw/zinc/24/88/78/188248878.db2.gz DDTALUHTKALROC-LBPRGKRZSA-N 2 2 269.348 3.439 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000158096821 188358126 /nfs/dbraw/zinc/35/81/26/188358126.db2.gz YIHNHCZYUJKRNH-AWEZNQCLSA-N 2 2 264.413 3.359 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000414125083 235341623 /nfs/dbraw/zinc/34/16/23/235341623.db2.gz LVRYFVTUTYQPMH-GOSISDBHSA-N 2 2 283.419 3.484 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000414226606 235368793 /nfs/dbraw/zinc/36/87/93/235368793.db2.gz JZMAMYFIBMYMCG-DZGCQCFKSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@H+]1C1CC1 ZINC000414226606 235368795 /nfs/dbraw/zinc/36/87/95/235368795.db2.gz JZMAMYFIBMYMCG-DZGCQCFKSA-N 2 2 287.451 3.094 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414331146 235389478 /nfs/dbraw/zinc/38/94/78/235389478.db2.gz QDSUAKVACPCTGU-ZDUSSCGKSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414331146 235389479 /nfs/dbraw/zinc/38/94/79/235389479.db2.gz QDSUAKVACPCTGU-ZDUSSCGKSA-N 2 2 298.352 3.340 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415032796 235515851 /nfs/dbraw/zinc/51/58/51/235515851.db2.gz AVUSFVZJOAPWHU-DLBZAZTESA-N 2 2 286.806 3.185 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356827 235741900 /nfs/dbraw/zinc/74/19/00/235741900.db2.gz GRMZJFNTVLTTDP-ZDUSSCGKSA-N 2 2 293.436 3.175 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1ncc(C)s1 ZINC000449058664 283214226 /nfs/dbraw/zinc/21/42/26/283214226.db2.gz LEEASYAZHLNRNR-UHFFFAOYSA-N 2 2 269.458 3.053 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000158982558 283214113 /nfs/dbraw/zinc/21/41/13/283214113.db2.gz NVFQYELFNLNPHS-HNNXBMFYSA-N 2 2 263.429 3.244 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000091311416 138343615 /nfs/dbraw/zinc/34/36/15/138343615.db2.gz VQULTJPJDIQDDM-UONOGXRCSA-N 2 2 291.826 3.393 20 0 CGADLP COc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000091264036 138343673 /nfs/dbraw/zinc/34/36/73/138343673.db2.gz UQTFTIUTINUYAW-GOSISDBHSA-N 2 2 299.418 3.413 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861282 138349145 /nfs/dbraw/zinc/34/91/45/138349145.db2.gz WZSXHROZIJKIQX-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861282 138349146 /nfs/dbraw/zinc/34/91/46/138349146.db2.gz WZSXHROZIJKIQX-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110117457 138362715 /nfs/dbraw/zinc/36/27/15/138362715.db2.gz IMIXIYYLEWJEMC-CYBMUJFWSA-N 2 2 274.412 3.030 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110117457 138362716 /nfs/dbraw/zinc/36/27/16/138362716.db2.gz IMIXIYYLEWJEMC-CYBMUJFWSA-N 2 2 274.412 3.030 20 0 CGADLP C[N@H+](Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000111824608 138364493 /nfs/dbraw/zinc/36/44/93/138364493.db2.gz BQTVMGAVUXRMDB-CYBMUJFWSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000111824608 138364494 /nfs/dbraw/zinc/36/44/94/138364494.db2.gz BQTVMGAVUXRMDB-CYBMUJFWSA-N 2 2 297.240 3.023 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423231247 236003441 /nfs/dbraw/zinc/00/34/41/236003441.db2.gz ANZRKUPGYZHQCK-ROUUACIJSA-N 2 2 284.378 3.493 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCOc2ccccc21)c1ccccc1 ZINC000423237031 236005435 /nfs/dbraw/zinc/00/54/35/236005435.db2.gz HWAUCBOYSUEYAB-SJORKVTESA-N 2 2 282.387 3.190 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000423237718 236005594 /nfs/dbraw/zinc/00/55/94/236005594.db2.gz IMAYAIAXSMVQEF-FUHWJXTLSA-N 2 2 281.403 3.223 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000423236547 236005758 /nfs/dbraw/zinc/00/57/58/236005758.db2.gz HPNAVZOFZRQIAC-JKSUJKDBSA-N 2 2 288.341 3.242 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cs1 ZINC000423238660 236005806 /nfs/dbraw/zinc/00/58/06/236005806.db2.gz ALPUWAFCEHMARP-DOMZBBRYSA-N 2 2 260.406 3.407 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423241326 236006454 /nfs/dbraw/zinc/00/64/54/236006454.db2.gz LIMSRNOTJJKUDQ-ZUZCIYMTSA-N 2 2 294.320 3.455 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423239016 236006605 /nfs/dbraw/zinc/00/66/05/236006605.db2.gz RNILPTCOYAAFKP-IEBWSBKVSA-N 2 2 298.405 3.451 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246178 236008324 /nfs/dbraw/zinc/00/83/24/236008324.db2.gz POFWQRYAHWBBRR-CZUORRHYSA-N 2 2 270.376 3.046 20 0 CGADLP COC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000423254295 236009458 /nfs/dbraw/zinc/00/94/58/236009458.db2.gz ZVHMPXXHWDBQIO-DLBZAZTESA-N 2 2 278.440 3.070 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000423253597 236009534 /nfs/dbraw/zinc/00/95/34/236009534.db2.gz ZCDSDALBAJBXNQ-QZTJIDSGSA-N 2 2 266.388 3.354 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423272337 236016483 /nfs/dbraw/zinc/01/64/83/236016483.db2.gz HVSYQELGDZGIHT-OLZOCXBDSA-N 2 2 282.840 3.204 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000482080288 535364768 /nfs/dbraw/zinc/36/47/68/535364768.db2.gz JDCCOJBLPGVAJR-DLBZAZTESA-N 2 2 282.472 3.021 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000482080288 535364771 /nfs/dbraw/zinc/36/47/71/535364771.db2.gz JDCCOJBLPGVAJR-DLBZAZTESA-N 2 2 282.472 3.021 20 0 CGADLP C[C@]1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCC[NH2+]C1 ZINC000423349086 236047225 /nfs/dbraw/zinc/04/72/25/236047225.db2.gz VAWQXUZLRCYIIG-MOPGFXCFSA-N 2 2 295.430 3.150 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423362542 236050952 /nfs/dbraw/zinc/05/09/52/236050952.db2.gz BEJLEXYPNUVMKB-RDTXWAMCSA-N 2 2 286.419 3.244 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] ZINC000423364844 236051773 /nfs/dbraw/zinc/05/17/73/236051773.db2.gz JYSDSRQTHPQUTE-SMDDNHRTSA-N 2 2 284.831 3.373 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423553016 236098039 /nfs/dbraw/zinc/09/80/39/236098039.db2.gz JYEGQDDLPNAAGO-JQWIXIFHSA-N 2 2 270.779 3.272 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000424263752 236137827 /nfs/dbraw/zinc/13/78/27/236137827.db2.gz GFFRLUAWPSJVEX-NEPJUHHUSA-N 2 2 284.831 3.339 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427878956 236351474 /nfs/dbraw/zinc/35/14/74/236351474.db2.gz RTUKULJEJYNFJL-WBVHZDCISA-N 2 2 283.419 3.117 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000294771205 199175510 /nfs/dbraw/zinc/17/55/10/199175510.db2.gz MVSCHCYDWVKQDP-IBGZPJMESA-N 2 2 295.430 3.317 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824885 200288315 /nfs/dbraw/zinc/28/83/15/200288315.db2.gz ZDZKUWYDUQBMPP-NVXWUHKLSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824885 200288317 /nfs/dbraw/zinc/28/83/17/200288317.db2.gz ZDZKUWYDUQBMPP-NVXWUHKLSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000297909339 200302659 /nfs/dbraw/zinc/30/26/59/200302659.db2.gz WPDZDISJXYEKSM-GDBMZVCRSA-N 2 2 298.434 3.047 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000297916089 200303280 /nfs/dbraw/zinc/30/32/80/200303280.db2.gz SSNTXNDIFCHFPE-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000297916089 200303281 /nfs/dbraw/zinc/30/32/81/200303281.db2.gz SSNTXNDIFCHFPE-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970382 200310874 /nfs/dbraw/zinc/31/08/74/200310874.db2.gz XENYZEYEQVUWEY-XJKSGUPXSA-N 2 2 287.407 3.337 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970382 200310876 /nfs/dbraw/zinc/31/08/76/200310876.db2.gz XENYZEYEQVUWEY-XJKSGUPXSA-N 2 2 287.407 3.337 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)CCCOC)[NH+](C)C)cc1 ZINC000178061173 189088479 /nfs/dbraw/zinc/08/84/79/189088479.db2.gz IUXXLDMWSARKPI-YJBOKZPZSA-N 2 2 292.467 3.256 20 0 CGADLP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179598438 189206026 /nfs/dbraw/zinc/20/60/26/189206026.db2.gz CRBAXWVQYNIZKG-MRXNPFEDSA-N 2 2 280.375 3.010 20 0 CGADLP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179598438 189206027 /nfs/dbraw/zinc/20/60/27/189206027.db2.gz CRBAXWVQYNIZKG-MRXNPFEDSA-N 2 2 280.375 3.010 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(F)c1F ZINC000342197241 216256094 /nfs/dbraw/zinc/25/60/94/216256094.db2.gz TWGVHRMXURJQJZ-STQMWFEESA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(F)c1F ZINC000342197241 216256095 /nfs/dbraw/zinc/25/60/95/216256095.db2.gz TWGVHRMXURJQJZ-STQMWFEESA-N 2 2 282.378 3.490 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000179851988 189223934 /nfs/dbraw/zinc/22/39/34/189223934.db2.gz LRBDYTYMRKSGKA-ZFWWWQNUSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000179851988 189223935 /nfs/dbraw/zinc/22/39/35/189223935.db2.gz LRBDYTYMRKSGKA-ZFWWWQNUSA-N 2 2 255.365 3.099 20 0 CGADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180638228 189267487 /nfs/dbraw/zinc/26/74/87/189267487.db2.gz OQURHBOQITVFJG-KRWDZBQOSA-N 2 2 294.402 3.400 20 0 CGADLP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180638228 189267488 /nfs/dbraw/zinc/26/74/88/189267488.db2.gz OQURHBOQITVFJG-KRWDZBQOSA-N 2 2 294.402 3.400 20 0 CGADLP CCSCC[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180670783 189269039 /nfs/dbraw/zinc/26/90/39/189269039.db2.gz IEVPNQBGEYIWAE-ZDUSSCGKSA-N 2 2 277.437 3.298 20 0 CGADLP CCSCC[C@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180670783 189269040 /nfs/dbraw/zinc/26/90/40/189269040.db2.gz IEVPNQBGEYIWAE-ZDUSSCGKSA-N 2 2 277.437 3.298 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181118588 189289343 /nfs/dbraw/zinc/28/93/43/189289343.db2.gz XWAZFPJZCRCHOM-HUUCEWRRSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181118588 189289344 /nfs/dbraw/zinc/28/93/44/189289344.db2.gz XWAZFPJZCRCHOM-HUUCEWRRSA-N 2 2 299.418 3.307 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183164473 189348308 /nfs/dbraw/zinc/34/83/08/189348308.db2.gz DLJURKZJSISBCR-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183164473 189348309 /nfs/dbraw/zinc/34/83/09/189348309.db2.gz DLJURKZJSISBCR-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP Cc1nc(NCCCCNc2cccc[nH+]2)c(C)c(C)[nH+]1 ZINC000301690799 201139976 /nfs/dbraw/zinc/13/99/76/201139976.db2.gz NMTFYMIECIQDCR-UHFFFAOYSA-N 2 2 285.395 3.101 20 0 CGADLP c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n(C2CCCC2)n1 ZINC000449014929 239113787 /nfs/dbraw/zinc/11/37/87/239113787.db2.gz BAHCBMGOJIGABL-UHFFFAOYSA-N 2 2 299.422 3.032 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCC4)CC2)ccn1 ZINC000449089180 239172481 /nfs/dbraw/zinc/17/24/81/239172481.db2.gz JTAHINKLGCNKHG-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP CCc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076870 201333120 /nfs/dbraw/zinc/33/31/20/201333120.db2.gz HKIGJUOGFJOGMB-FUHWJXTLSA-N 2 2 296.418 3.205 20 0 CGADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076870 201333123 /nfs/dbraw/zinc/33/31/23/201333123.db2.gz HKIGJUOGFJOGMB-FUHWJXTLSA-N 2 2 296.418 3.205 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000449109062 239182988 /nfs/dbraw/zinc/18/29/88/239182988.db2.gz XFXDONWLWVTWQE-MAUKXSAKSA-N 2 2 286.419 3.412 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449158083 239210075 /nfs/dbraw/zinc/21/00/75/239210075.db2.gz XREMRQDPHLYWRW-INIZCTEOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)c1cc(NCCc2c[nH+]cn2C)nc(C(C)C)[nH+]1 ZINC000302117379 201347536 /nfs/dbraw/zinc/34/75/36/201347536.db2.gz CJJLZVNHPBGJRK-UHFFFAOYSA-N 2 2 287.411 3.112 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449215674 239247916 /nfs/dbraw/zinc/24/79/16/239247916.db2.gz YRXRXDYFQROMMD-UHFFFAOYSA-N 2 2 284.407 3.034 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449192750 239236636 /nfs/dbraw/zinc/23/66/36/239236636.db2.gz MDICOXCYVNZYCH-PMUMKWKESA-N 2 2 298.430 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449192750 239236643 /nfs/dbraw/zinc/23/66/43/239236643.db2.gz MDICOXCYVNZYCH-PMUMKWKESA-N 2 2 298.430 3.436 20 0 CGADLP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3ccoc32)c[nH+]1 ZINC000449237446 239260561 /nfs/dbraw/zinc/26/05/61/239260561.db2.gz BNELPKYTIIPZKS-INIZCTEOSA-N 2 2 281.359 3.294 20 0 CGADLP c1cn(C[C@@H]2CCC[N@H+]2Cc2cccc3ccoc32)c[nH+]1 ZINC000449237446 239260567 /nfs/dbraw/zinc/26/05/67/239260567.db2.gz BNELPKYTIIPZKS-INIZCTEOSA-N 2 2 281.359 3.294 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1NCc1[nH+]ccn1CC ZINC000450676371 240029850 /nfs/dbraw/zinc/02/98/50/240029850.db2.gz FKCIBGGLJXZDPY-UHFFFAOYSA-N 2 2 294.402 3.356 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cn1 ZINC000423268212 299349138 /nfs/dbraw/zinc/34/91/38/299349138.db2.gz ULFUYGOEWQZCKD-NHYWBVRUSA-N 2 2 281.831 3.293 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccco1 ZINC000120942033 370815247 /nfs/dbraw/zinc/81/52/47/370815247.db2.gz VANMSEWCKGPGTD-GFCCVEGCSA-N 2 2 276.355 3.331 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000459653833 242164711 /nfs/dbraw/zinc/16/47/11/242164711.db2.gz DMIBLEZDWUAVGQ-LLVKDONJSA-N 2 2 293.411 3.174 20 0 CGADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)CC1CCCCC1 ZINC000459663499 242169320 /nfs/dbraw/zinc/16/93/20/242169320.db2.gz OWXDEHVZODGDLA-AWEZNQCLSA-N 2 2 263.429 3.159 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712878 242189946 /nfs/dbraw/zinc/18/99/46/242189946.db2.gz NQLOQVRUJWMALW-CZUORRHYSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712878 242189950 /nfs/dbraw/zinc/18/99/50/242189950.db2.gz NQLOQVRUJWMALW-CZUORRHYSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cc2c(s1)CCC2 ZINC000346807773 299373604 /nfs/dbraw/zinc/37/36/04/299373604.db2.gz MDZGIYDOAQSGKR-SGMGOOAPSA-N 2 2 278.465 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cc2c(s1)CCC2 ZINC000346807773 299373608 /nfs/dbraw/zinc/37/36/08/299373608.db2.gz MDZGIYDOAQSGKR-SGMGOOAPSA-N 2 2 278.465 3.370 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1)C(C)C ZINC000480529887 243152082 /nfs/dbraw/zinc/15/20/82/243152082.db2.gz RWFRWPOIEPQKAT-IRXDYDNUSA-N 2 2 284.488 3.148 20 0 CGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000482250465 243221536 /nfs/dbraw/zinc/22/15/36/243221536.db2.gz ZWZPUJDUPNSDDA-IAGOWNOFSA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000482250465 243221538 /nfs/dbraw/zinc/22/15/38/243221538.db2.gz ZWZPUJDUPNSDDA-IAGOWNOFSA-N 2 2 282.472 3.069 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000484520499 243314835 /nfs/dbraw/zinc/31/48/35/243314835.db2.gz TYRLFNJRCBCVBQ-HUBLWGQQSA-N 2 2 278.465 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000484520499 243314840 /nfs/dbraw/zinc/31/48/40/243314840.db2.gz TYRLFNJRCBCVBQ-HUBLWGQQSA-N 2 2 278.465 3.444 20 0 CGADLP Clc1ccccc1C1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000036845717 369033112 /nfs/dbraw/zinc/03/31/12/369033112.db2.gz ZGFNNQFQXGOIBF-UHFFFAOYSA-N 2 2 289.810 3.462 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932160 369040256 /nfs/dbraw/zinc/04/02/56/369040256.db2.gz PXHOYUDIPKMELK-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000036932134 369040413 /nfs/dbraw/zinc/04/04/13/369040413.db2.gz YRMNEZXHAJNHIS-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000037157449 369073141 /nfs/dbraw/zinc/07/31/41/369073141.db2.gz HITBEWCDZFRWRL-GJZGRUSLSA-N 2 2 257.381 3.239 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000037158262 369074834 /nfs/dbraw/zinc/07/48/34/369074834.db2.gz XGFSGOODCFJLGZ-QQFBHYJXSA-N 2 2 269.392 3.116 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649259 369097531 /nfs/dbraw/zinc/09/75/31/369097531.db2.gz VEWOAHHAPIUGAS-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649259 369097535 /nfs/dbraw/zinc/09/75/35/369097535.db2.gz VEWOAHHAPIUGAS-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649230 369097991 /nfs/dbraw/zinc/09/79/91/369097991.db2.gz XPTMQAQEACZGNA-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649230 369097992 /nfs/dbraw/zinc/09/79/92/369097992.db2.gz XPTMQAQEACZGNA-NEPJUHHUSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000037764240 369105643 /nfs/dbraw/zinc/10/56/43/369105643.db2.gz NZRANHCHPYNPCQ-RLAWYHOSSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000037764240 369105648 /nfs/dbraw/zinc/10/56/48/369105648.db2.gz NZRANHCHPYNPCQ-RLAWYHOSSA-N 2 2 262.372 3.102 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000041119661 369175491 /nfs/dbraw/zinc/17/54/91/369175491.db2.gz XDMCVWOWTWUSGN-IAGOWNOFSA-N 2 2 269.392 3.199 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669688 244208391 /nfs/dbraw/zinc/20/83/91/244208391.db2.gz OYOBVOHBYVWZLA-SMRZUVACSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669688 244208396 /nfs/dbraw/zinc/20/83/96/244208396.db2.gz OYOBVOHBYVWZLA-SMRZUVACSA-N 2 2 290.426 3.392 20 0 CGADLP COCC(C)(C)C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000494039892 244260890 /nfs/dbraw/zinc/26/08/90/244260890.db2.gz VWWDYVALAMOCFQ-OAHLLOKOSA-N 2 2 292.467 3.378 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000494411415 244286640 /nfs/dbraw/zinc/28/66/40/244286640.db2.gz IXLWFXIMDPCKEW-HNNXBMFYSA-N 2 2 295.386 3.351 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000494439834 244290285 /nfs/dbraw/zinc/29/02/85/244290285.db2.gz VTCTYHGXUYYPDK-IRXDYDNUSA-N 2 2 283.419 3.371 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646818 244306640 /nfs/dbraw/zinc/30/66/40/244306640.db2.gz HJQREJFBGZBOMR-VTCYXGNWSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646818 244306642 /nfs/dbraw/zinc/30/66/42/244306642.db2.gz HJQREJFBGZBOMR-VTCYXGNWSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646813 244307609 /nfs/dbraw/zinc/30/76/09/244307609.db2.gz HJQREJFBGZBOMR-CUGJKRCDSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000494646813 244307613 /nfs/dbraw/zinc/30/76/13/244307613.db2.gz HJQREJFBGZBOMR-CUGJKRCDSA-N 2 2 270.420 3.005 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663223 369283742 /nfs/dbraw/zinc/28/37/42/369283742.db2.gz QRNCZBTUOJYENX-HNNXBMFYSA-N 2 2 278.440 3.468 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663141 369283756 /nfs/dbraw/zinc/28/37/56/369283756.db2.gz HADBIQJIBHCHPZ-CQSZACIVSA-N 2 2 264.413 3.078 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000045663442 369283917 /nfs/dbraw/zinc/28/39/17/369283917.db2.gz VHFQTEYJPVUQEA-GFCCVEGCSA-N 2 2 299.256 3.442 20 0 CGADLP c1c[nH+]c(CNc2ccc([NH+]3CCCCC3)cc2)[nH]1 ZINC000058930879 369576832 /nfs/dbraw/zinc/57/68/32/369576832.db2.gz ZNGIUCSCTCUFFE-UHFFFAOYSA-N 2 2 256.353 3.012 20 0 CGADLP C[C@@H]([NH2+]CCc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000063133649 369640550 /nfs/dbraw/zinc/64/05/50/369640550.db2.gz APDIGSCFMKGRFG-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718497 296149314 /nfs/dbraw/zinc/14/93/14/296149314.db2.gz NVJYLIALBJWBFO-UHIISALHSA-N 2 2 252.789 3.131 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858676 369840230 /nfs/dbraw/zinc/84/02/30/369840230.db2.gz UNQUUSAUIJOPRA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858676 369840237 /nfs/dbraw/zinc/84/02/37/369840237.db2.gz UNQUUSAUIJOPRA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858676 369840241 /nfs/dbraw/zinc/84/02/41/369840241.db2.gz UNQUUSAUIJOPRA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858676 369840245 /nfs/dbraw/zinc/84/02/45/369840245.db2.gz UNQUUSAUIJOPRA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000072859603 369840548 /nfs/dbraw/zinc/84/05/48/369840548.db2.gz INAAMAZNMYFGMK-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000072859603 369840554 /nfs/dbraw/zinc/84/05/54/369840554.db2.gz INAAMAZNMYFGMK-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072859603 369840558 /nfs/dbraw/zinc/84/05/58/369840558.db2.gz INAAMAZNMYFGMK-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000072859603 369840564 /nfs/dbraw/zinc/84/05/64/369840564.db2.gz INAAMAZNMYFGMK-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074669 369779433 /nfs/dbraw/zinc/77/94/33/369779433.db2.gz CEKZYZBAHYZQCY-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074669 369779437 /nfs/dbraw/zinc/77/94/37/369779437.db2.gz CEKZYZBAHYZQCY-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP CC1(C)C([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000092816205 370103720 /nfs/dbraw/zinc/10/37/20/370103720.db2.gz MIPZIRWYBKJZIE-UHFFFAOYSA-N 2 2 273.424 3.075 20 0 CGADLP Clc1csc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000093094511 370108590 /nfs/dbraw/zinc/10/85/90/370108590.db2.gz OHQFCFKVCNDPQD-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093399170 370121781 /nfs/dbraw/zinc/12/17/81/370121781.db2.gz XMCFRMVIEGXAAP-STQMWFEESA-N 2 2 293.480 3.014 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093399170 370121785 /nfs/dbraw/zinc/12/17/85/370121785.db2.gz XMCFRMVIEGXAAP-STQMWFEESA-N 2 2 293.480 3.014 20 0 CGADLP c1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000112710498 370444472 /nfs/dbraw/zinc/44/44/72/370444472.db2.gz YFHZOKSJKNISSS-UHFFFAOYSA-N 2 2 298.434 3.076 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624356 370538160 /nfs/dbraw/zinc/53/81/60/370538160.db2.gz GPHUPRYCCSTMRA-UHFFFAOYSA-N 2 2 276.355 3.079 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841943 370627821 /nfs/dbraw/zinc/62/78/21/370627821.db2.gz ROBNHFAOJRNTHE-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841943 370627822 /nfs/dbraw/zinc/62/78/22/370627822.db2.gz ROBNHFAOJRNTHE-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841943 370627824 /nfs/dbraw/zinc/62/78/24/370627824.db2.gz ROBNHFAOJRNTHE-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841943 370627825 /nfs/dbraw/zinc/62/78/25/370627825.db2.gz ROBNHFAOJRNTHE-MRXNPFEDSA-N 2 2 290.451 3.247 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000130654149 371050268 /nfs/dbraw/zinc/05/02/68/371050268.db2.gz JGGCTCVDKAAPKC-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000130654149 371050274 /nfs/dbraw/zinc/05/02/74/371050274.db2.gz JGGCTCVDKAAPKC-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130654149 371050278 /nfs/dbraw/zinc/05/02/78/371050278.db2.gz JGGCTCVDKAAPKC-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130654149 371050283 /nfs/dbraw/zinc/05/02/83/371050283.db2.gz JGGCTCVDKAAPKC-PWSUYJOCSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000130598890 371045419 /nfs/dbraw/zinc/04/54/19/371045419.db2.gz PEYUJEKQODIDTL-GFCCVEGCSA-N 2 2 271.389 3.289 20 0 CGADLP CCCC[N@H+](C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000131170423 371087271 /nfs/dbraw/zinc/08/72/71/371087271.db2.gz GAYRVLFZKYNDNP-UHFFFAOYSA-N 2 2 258.369 3.258 20 0 CGADLP CCCC[N@@H+](C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000131170423 371087273 /nfs/dbraw/zinc/08/72/73/371087273.db2.gz GAYRVLFZKYNDNP-UHFFFAOYSA-N 2 2 258.369 3.258 20 0 CGADLP Clc1ccc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131288622 371095307 /nfs/dbraw/zinc/09/53/07/371095307.db2.gz JXNRJWQTAMLUQP-AWEZNQCLSA-N 2 2 275.783 3.026 20 0 CGADLP Clc1ccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000131288622 371095313 /nfs/dbraw/zinc/09/53/13/371095313.db2.gz JXNRJWQTAMLUQP-AWEZNQCLSA-N 2 2 275.783 3.026 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131532974 371113938 /nfs/dbraw/zinc/11/39/38/371113938.db2.gz TXNQSYKCOSNBOA-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131532974 371113943 /nfs/dbraw/zinc/11/39/43/371113943.db2.gz TXNQSYKCOSNBOA-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545356 371115602 /nfs/dbraw/zinc/11/56/02/371115602.db2.gz UDCOHMWWSUBPKI-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545356 371115605 /nfs/dbraw/zinc/11/56/05/371115605.db2.gz UDCOHMWWSUBPKI-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000131676192 371121837 /nfs/dbraw/zinc/12/18/37/371121837.db2.gz NUJWXJYKIRJXFQ-SGMGOOAPSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000131676192 371121842 /nfs/dbraw/zinc/12/18/42/371121842.db2.gz NUJWXJYKIRJXFQ-SGMGOOAPSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1cc(N(C)CCCn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000133024931 371220218 /nfs/dbraw/zinc/22/02/18/371220218.db2.gz HSFAEBIXHFHRGS-UHFFFAOYSA-N 2 2 298.365 3.405 20 0 CGADLP c1c2ccccc2oc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133601567 371265438 /nfs/dbraw/zinc/26/54/38/371265438.db2.gz WLAITCRSGPYNJZ-UHFFFAOYSA-N 2 2 284.403 3.397 20 0 CGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236985775 189857008 /nfs/dbraw/zinc/85/70/08/189857008.db2.gz TZVMTDXJNDNWPV-WBMJQRKESA-N 2 2 299.374 3.186 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000151127395 371573625 /nfs/dbraw/zinc/57/36/25/371573625.db2.gz XZPUTGWPBOZZPV-IAGOWNOFSA-N 2 2 269.392 3.199 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000353310287 220020677 /nfs/dbraw/zinc/02/06/77/220020677.db2.gz DYUCMZOTEDHIDP-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000353310287 220020680 /nfs/dbraw/zinc/02/06/80/220020680.db2.gz DYUCMZOTEDHIDP-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287416929 371652886 /nfs/dbraw/zinc/65/28/86/371652886.db2.gz JWJAHJQZGCLJCD-QWHCGFSZSA-N 2 2 294.439 3.264 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287416929 371652891 /nfs/dbraw/zinc/65/28/91/371652891.db2.gz JWJAHJQZGCLJCD-QWHCGFSZSA-N 2 2 294.439 3.264 20 0 CGADLP COC1([C@H](C)[NH2+]CCCNc2cccc[nH+]2)CCCCC1 ZINC000421833212 371657259 /nfs/dbraw/zinc/65/72/59/371657259.db2.gz NJHHMMIYHZYLIP-HNNXBMFYSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1F ZINC000152731167 371720156 /nfs/dbraw/zinc/72/01/56/371720156.db2.gz WRSILOCOBHJALK-CYBMUJFWSA-N 2 2 287.382 3.252 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422563432 371751529 /nfs/dbraw/zinc/75/15/29/371751529.db2.gz SWANIMXWWGAKPQ-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(C(C)(C)C)s2)C[C@@H]1C[NH3+] ZINC000422563432 371751538 /nfs/dbraw/zinc/75/15/38/371751538.db2.gz SWANIMXWWGAKPQ-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000422635662 371754616 /nfs/dbraw/zinc/75/46/16/371754616.db2.gz LUWGQNKZRKOBCV-MJBXVCDLSA-N 2 2 295.496 3.291 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000422635662 371754620 /nfs/dbraw/zinc/75/46/20/371754620.db2.gz LUWGQNKZRKOBCV-MJBXVCDLSA-N 2 2 295.496 3.291 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422698500 371757928 /nfs/dbraw/zinc/75/79/28/371757928.db2.gz ZOFBHHPOQJOLLL-RHSMWYFYSA-N 2 2 288.435 3.096 20 0 CGADLP COc1ccc([C@@H]([NH2+]C2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422736366 371774437 /nfs/dbraw/zinc/77/44/37/371774437.db2.gz XXCMRANOGBPPLQ-DLBZAZTESA-N 2 2 274.408 3.021 20 0 CGADLP Fc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422741359 371776706 /nfs/dbraw/zinc/77/67/06/371776706.db2.gz DIKRMNXEDMNSAF-WMZOPIPTSA-N 2 2 284.378 3.409 20 0 CGADLP Fc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422741357 371777696 /nfs/dbraw/zinc/77/76/96/371777696.db2.gz DIKRMNXEDMNSAF-FUHWJXTLSA-N 2 2 284.378 3.409 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC34CCC4)c2)c[nH+]1 ZINC000337372109 214036895 /nfs/dbraw/zinc/03/68/95/214036895.db2.gz AGRYYTFMOUNZKO-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP C[C@@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422839851 371834200 /nfs/dbraw/zinc/83/42/00/371834200.db2.gz ROOLCHDUXPUFFB-YQPCPPDFSA-N 2 2 276.399 3.179 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000422807304 371823272 /nfs/dbraw/zinc/82/32/72/371823272.db2.gz MCPZKJBWEDIHPZ-GYSYKLTISA-N 2 2 252.427 3.156 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422813121 371825601 /nfs/dbraw/zinc/82/56/01/371825601.db2.gz XMTIKWVRJONWMP-BEFAXECRSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(C)(C)C)cs1 ZINC000422864185 371844451 /nfs/dbraw/zinc/84/44/51/371844451.db2.gz ULQFJCNJLNGQMK-ACJTYDJDSA-N 2 2 293.480 3.374 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422874711 371848352 /nfs/dbraw/zinc/84/83/52/371848352.db2.gz AQMRHWAGAXIOBN-KBMXLJTQSA-N 2 2 276.424 3.267 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000289904180 371850165 /nfs/dbraw/zinc/85/01/65/371850165.db2.gz WVNZNDFXOQFJCA-FUHWJXTLSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000289904180 371850168 /nfs/dbraw/zinc/85/01/68/371850168.db2.gz WVNZNDFXOQFJCA-FUHWJXTLSA-N 2 2 290.451 3.338 20 0 CGADLP CC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000289963822 371862595 /nfs/dbraw/zinc/86/25/95/371862595.db2.gz ITSOZRPNTSDYIN-LPHOPBHVSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000289963822 371862599 /nfs/dbraw/zinc/86/25/99/371862599.db2.gz ITSOZRPNTSDYIN-LPHOPBHVSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000289963826 371862934 /nfs/dbraw/zinc/86/29/34/371862934.db2.gz ITSOZRPNTSDYIN-QFBILLFUSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000289963826 371862940 /nfs/dbraw/zinc/86/29/40/371862940.db2.gz ITSOZRPNTSDYIN-QFBILLFUSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1OC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422914457 371864954 /nfs/dbraw/zinc/86/49/54/371864954.db2.gz UHCPVXHVNKLKLU-SJORKVTESA-N 2 2 288.435 3.238 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422926184 371875220 /nfs/dbraw/zinc/87/52/20/371875220.db2.gz CRKHRPWKYZVRHO-BPLDGKMQSA-N 2 2 276.449 3.344 20 0 CGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290005542 371876215 /nfs/dbraw/zinc/87/62/15/371876215.db2.gz LMQKDUXWJKLZDW-CVEARBPZSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290005542 371876222 /nfs/dbraw/zinc/87/62/22/371876222.db2.gz LMQKDUXWJKLZDW-CVEARBPZSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423054031 371937627 /nfs/dbraw/zinc/93/76/27/371937627.db2.gz UBIFDQHCCFNDJP-FZMZJTMJSA-N 2 2 268.351 3.244 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000422960012 371892874 /nfs/dbraw/zinc/89/28/74/371892874.db2.gz VEBCQPFUFBNANT-NWDGAFQWSA-N 2 2 287.432 3.069 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccn2)c1 ZINC000423027276 371922615 /nfs/dbraw/zinc/92/26/15/371922615.db2.gz RHEAPDXCSXIJCS-WMZOPIPTSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@H](CCC[NH3+])[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000423041552 371928822 /nfs/dbraw/zinc/92/88/22/371928822.db2.gz JLONOKUJFPBWDS-NXEZZACHSA-N 2 2 254.340 3.071 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000423046251 371932174 /nfs/dbraw/zinc/93/21/74/371932174.db2.gz SZFSNPSZYHTPSE-GHMZBOCLSA-N 2 2 268.367 3.461 20 0 CGADLP COCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccco1 ZINC000423050209 371933597 /nfs/dbraw/zinc/93/35/97/371933597.db2.gz YJKXMPYNCODZAR-PMPSAXMXSA-N 2 2 286.375 3.092 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156086160 371960104 /nfs/dbraw/zinc/96/01/04/371960104.db2.gz KWLBIFDDLGNLOF-BXUZGUMPSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156086160 371960110 /nfs/dbraw/zinc/96/01/10/371960110.db2.gz KWLBIFDDLGNLOF-BXUZGUMPSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290330240 371965875 /nfs/dbraw/zinc/96/58/75/371965875.db2.gz DPLVNQXNQLQCRI-INIZCTEOSA-N 2 2 271.408 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290330240 371965878 /nfs/dbraw/zinc/96/58/78/371965878.db2.gz DPLVNQXNQLQCRI-INIZCTEOSA-N 2 2 271.408 3.084 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000037179318 541863569 /nfs/dbraw/zinc/86/35/69/541863569.db2.gz XVMZYYXKQRBZSM-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCC3)C2)cc1 ZINC000037179318 541863572 /nfs/dbraw/zinc/86/35/72/541863572.db2.gz XVMZYYXKQRBZSM-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423128160 371981152 /nfs/dbraw/zinc/98/11/52/371981152.db2.gz KKVYSCPCZAKTTN-MSOLQXFVSA-N 2 2 284.378 3.462 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cn2c(cccc2C)n1 ZINC000290417139 371986611 /nfs/dbraw/zinc/98/66/11/371986611.db2.gz QPJNFPCWVKEJMS-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423197515 372020534 /nfs/dbraw/zinc/02/05/34/372020534.db2.gz ZRFSPNIJYQDPMT-KSSFIOAISA-N 2 2 281.403 3.151 20 0 CGADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423212028 372034398 /nfs/dbraw/zinc/03/43/98/372034398.db2.gz ZKRDWFKVNIXXIP-ZBFHGGJFSA-N 2 2 276.424 3.268 20 0 CGADLP CC[C@@H](CSC)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290663395 372035429 /nfs/dbraw/zinc/03/54/29/372035429.db2.gz ZVBMRHVQYRYGFE-HNNXBMFYSA-N 2 2 266.454 3.396 20 0 CGADLP CC[C@@H](CSC)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290663395 372035434 /nfs/dbraw/zinc/03/54/34/372035434.db2.gz ZVBMRHVQYRYGFE-HNNXBMFYSA-N 2 2 266.454 3.396 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423360368 372055229 /nfs/dbraw/zinc/05/52/29/372055229.db2.gz LHPGWUAOJGOEFJ-KEYYUXOJSA-N 2 2 276.424 3.122 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000423380530 372058526 /nfs/dbraw/zinc/05/85/26/372058526.db2.gz MVOSIQDUUXHRAR-HIFRSBDPSA-N 2 2 278.465 3.428 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCCC1 ZINC000423183060 372010434 /nfs/dbraw/zinc/01/04/34/372010434.db2.gz RBKSXAUEZHNEKT-CQSZACIVSA-N 2 2 280.362 3.203 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccs1 ZINC000423415931 372062407 /nfs/dbraw/zinc/06/24/07/372062407.db2.gz FIMDFMNHEBURPC-IUODEOHRSA-N 2 2 272.417 3.286 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423556090 372073016 /nfs/dbraw/zinc/07/30/16/372073016.db2.gz MKFHULYMUFBGEE-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425321276 372120589 /nfs/dbraw/zinc/12/05/89/372120589.db2.gz FBARSTQNOFGAAG-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425321276 372120593 /nfs/dbraw/zinc/12/05/93/372120593.db2.gz FBARSTQNOFGAAG-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)[C@H]3CCOC3)cc2)c1C ZINC000291175749 372132143 /nfs/dbraw/zinc/13/21/43/372132143.db2.gz FDZSTOAHPRNWIX-ZFWWWQNUSA-N 2 2 285.391 3.326 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326174 372132523 /nfs/dbraw/zinc/13/25/23/372132523.db2.gz QBLVMUDETDPWAC-TVQRCGJNSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326174 372132527 /nfs/dbraw/zinc/13/25/27/372132527.db2.gz QBLVMUDETDPWAC-TVQRCGJNSA-N 2 2 290.304 3.156 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040671981 541868256 /nfs/dbraw/zinc/86/82/56/541868256.db2.gz WSFVZLCIDPUPTH-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040671981 541868259 /nfs/dbraw/zinc/86/82/59/541868259.db2.gz WSFVZLCIDPUPTH-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040672285 541868339 /nfs/dbraw/zinc/86/83/39/541868339.db2.gz IQCKNDMJRCQDLJ-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040672285 541868341 /nfs/dbraw/zinc/86/83/41/541868341.db2.gz IQCKNDMJRCQDLJ-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672204 541868771 /nfs/dbraw/zinc/86/87/71/541868771.db2.gz PHIHIUXJKWPDSZ-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672204 541868774 /nfs/dbraw/zinc/86/87/74/541868774.db2.gz PHIHIUXJKWPDSZ-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000159655708 372166825 /nfs/dbraw/zinc/16/68/25/372166825.db2.gz JGGULGSPLHUKIY-CYBMUJFWSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000159655708 372166832 /nfs/dbraw/zinc/16/68/32/372166832.db2.gz JGGULGSPLHUKIY-CYBMUJFWSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH+](C)C)C2CCC2)cc1 ZINC000427719315 372175591 /nfs/dbraw/zinc/17/55/91/372175591.db2.gz PCXXSGOIINANCQ-YOEHRIQHSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC000428474317 372219272 /nfs/dbraw/zinc/21/92/72/372219272.db2.gz RMDRWJLNBGOILB-UHFFFAOYSA-N 2 2 298.386 3.183 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC000428474317 372219276 /nfs/dbraw/zinc/21/92/76/372219276.db2.gz RMDRWJLNBGOILB-UHFFFAOYSA-N 2 2 298.386 3.183 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401446 372191686 /nfs/dbraw/zinc/19/16/86/372191686.db2.gz MYXYQPSZHXXGKV-DZGCQCFKSA-N 2 2 293.455 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401446 372191689 /nfs/dbraw/zinc/19/16/89/372191689.db2.gz MYXYQPSZHXXGKV-DZGCQCFKSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401446 372191691 /nfs/dbraw/zinc/19/16/91/372191691.db2.gz MYXYQPSZHXXGKV-DZGCQCFKSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401446 372191692 /nfs/dbraw/zinc/19/16/92/372191692.db2.gz MYXYQPSZHXXGKV-DZGCQCFKSA-N 2 2 293.455 3.269 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000162603403 372405465 /nfs/dbraw/zinc/40/54/65/372405465.db2.gz PLECBZRVLXMXJG-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000162603403 372405468 /nfs/dbraw/zinc/40/54/68/372405468.db2.gz PLECBZRVLXMXJG-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293630173 372428514 /nfs/dbraw/zinc/42/85/14/372428514.db2.gz QZIBSTOJYMOLDE-UHFFFAOYSA-N 2 2 296.842 3.400 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000293688406 372451374 /nfs/dbraw/zinc/45/13/74/372451374.db2.gz NNTAYDHTLHMRAS-UHFFFAOYSA-N 2 2 276.399 3.277 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1F ZINC000163468688 372471043 /nfs/dbraw/zinc/47/10/43/372471043.db2.gz QVBZWTSMSQXEOI-WFASDCNBSA-N 2 2 261.344 3.152 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c21 ZINC000165261056 372548080 /nfs/dbraw/zinc/54/80/80/372548080.db2.gz XXGDKDUXMBNPLF-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)c21 ZINC000165261056 372548089 /nfs/dbraw/zinc/54/80/89/372548089.db2.gz XXGDKDUXMBNPLF-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP CC1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000294223551 372619349 /nfs/dbraw/zinc/61/93/49/372619349.db2.gz MAEJSWTUTOQGAR-MRXNPFEDSA-N 2 2 285.435 3.134 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000171147163 372720526 /nfs/dbraw/zinc/72/05/26/372720526.db2.gz VCJZFKAJIIBVDW-GOSISDBHSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000171147163 372720531 /nfs/dbraw/zinc/72/05/31/372720531.db2.gz VCJZFKAJIIBVDW-GOSISDBHSA-N 2 2 287.451 3.026 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000438082123 372871886 /nfs/dbraw/zinc/87/18/86/372871886.db2.gz AVGSRJGIGYRUAB-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000438082123 372871896 /nfs/dbraw/zinc/87/18/96/372871896.db2.gz AVGSRJGIGYRUAB-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000438185859 372908320 /nfs/dbraw/zinc/90/83/20/372908320.db2.gz FKNCDXCYHJIMKQ-SCTDSRPQSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000438185859 372908328 /nfs/dbraw/zinc/90/83/28/372908328.db2.gz FKNCDXCYHJIMKQ-SCTDSRPQSA-N 2 2 284.447 3.323 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438205170 372912109 /nfs/dbraw/zinc/91/21/09/372912109.db2.gz XLMDHDBKZBASOP-MSOLQXFVSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438205170 372912118 /nfs/dbraw/zinc/91/21/18/372912118.db2.gz XLMDHDBKZBASOP-MSOLQXFVSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708912 373066933 /nfs/dbraw/zinc/06/69/33/373066933.db2.gz MFYYOVCRKDEOGU-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708912 373066943 /nfs/dbraw/zinc/06/69/43/373066943.db2.gz MFYYOVCRKDEOGU-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000442776803 373078386 /nfs/dbraw/zinc/07/83/86/373078386.db2.gz HNNXUCWXGPLAPB-QWHCGFSZSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000442776803 373078392 /nfs/dbraw/zinc/07/83/92/373078392.db2.gz HNNXUCWXGPLAPB-QWHCGFSZSA-N 2 2 276.449 3.296 20 0 CGADLP COC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000442878093 373114124 /nfs/dbraw/zinc/11/41/24/373114124.db2.gz SETZMVDXZMALLC-QGZVFWFLSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000443013733 373141559 /nfs/dbraw/zinc/14/15/59/373141559.db2.gz MIDYRIYHKXFKJY-RYRKJORJSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cc[nH]c1)[NH+](C)C ZINC000443008338 373141620 /nfs/dbraw/zinc/14/16/20/373141620.db2.gz TTWJYPWQSUMHLC-PBHICJAKSA-N 2 2 271.408 3.104 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cc[nH]c1)[NH+](C)C ZINC000443008340 373142052 /nfs/dbraw/zinc/14/20/52/373142052.db2.gz TTWJYPWQSUMHLC-WMLDXEAASA-N 2 2 271.408 3.104 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000296669296 373216450 /nfs/dbraw/zinc/21/64/50/373216450.db2.gz KQRPAVJMTJSDQU-VYDXJSESSA-N 2 2 269.392 3.150 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000296669296 373216457 /nfs/dbraw/zinc/21/64/57/373216457.db2.gz KQRPAVJMTJSDQU-VYDXJSESSA-N 2 2 269.392 3.150 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000446771614 373361410 /nfs/dbraw/zinc/36/14/10/373361410.db2.gz ZFTPGWVQMHPZGP-INIZCTEOSA-N 2 2 258.409 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000446771614 373361419 /nfs/dbraw/zinc/36/14/19/373361419.db2.gz ZFTPGWVQMHPZGP-INIZCTEOSA-N 2 2 258.409 3.032 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@H](c2ccco2)C1 ZINC000299196714 373480168 /nfs/dbraw/zinc/48/01/68/373480168.db2.gz FFIMRQLACAUDPQ-OCCSQVGLSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@H](c2ccco2)C1 ZINC000299196714 373480175 /nfs/dbraw/zinc/48/01/75/373480175.db2.gz FFIMRQLACAUDPQ-OCCSQVGLSA-N 2 2 271.364 3.230 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CS1 ZINC000448371583 373575948 /nfs/dbraw/zinc/57/59/48/373575948.db2.gz NMWMZGYOHGZFNS-KKUMJFAQSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CS1 ZINC000448371583 373575952 /nfs/dbraw/zinc/57/59/52/373575952.db2.gz NMWMZGYOHGZFNS-KKUMJFAQSA-N 2 2 284.513 3.227 20 0 CGADLP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301057895 373643097 /nfs/dbraw/zinc/64/30/97/373643097.db2.gz IYUXBKHCAQVPSZ-ZDUSSCGKSA-N 2 2 288.395 3.216 20 0 CGADLP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449432012 373709102 /nfs/dbraw/zinc/70/91/02/373709102.db2.gz FIWIZXDFACDDEY-HZPDHXFCSA-N 2 2 287.451 3.466 20 0 CGADLP COCC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449075676 373659525 /nfs/dbraw/zinc/65/95/25/373659525.db2.gz FXIMISWHVCYWFU-NJINODPHSA-N 2 2 282.472 3.044 20 0 CGADLP COCC1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449075676 373659533 /nfs/dbraw/zinc/65/95/33/373659533.db2.gz FXIMISWHVCYWFU-NJINODPHSA-N 2 2 282.472 3.044 20 0 CGADLP C1CC2(C1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449130135 373663540 /nfs/dbraw/zinc/66/35/40/373663540.db2.gz XPTOQCKGGCLGNU-HOCLYGCPSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(C1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449130135 373663548 /nfs/dbraw/zinc/66/35/48/373663548.db2.gz XPTOQCKGGCLGNU-HOCLYGCPSA-N 2 2 262.441 3.316 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CCC1 ZINC000449172617 373667978 /nfs/dbraw/zinc/66/79/78/373667978.db2.gz VXJUTBQHHRIKTE-LSDHHAIUSA-N 2 2 261.413 3.237 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1 ZINC000177317831 373674954 /nfs/dbraw/zinc/67/49/54/373674954.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1 ZINC000177317831 373674956 /nfs/dbraw/zinc/67/49/56/373674956.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1 ZINC000177317831 373674964 /nfs/dbraw/zinc/67/49/64/373674964.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1 ZINC000177317831 373674972 /nfs/dbraw/zinc/67/49/72/373674972.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000449283841 373676875 /nfs/dbraw/zinc/67/68/75/373676875.db2.gz MUVFSRFRTWHINP-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000449283841 373676883 /nfs/dbraw/zinc/67/68/83/373676883.db2.gz MUVFSRFRTWHINP-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353661781 220234109 /nfs/dbraw/zinc/23/41/09/220234109.db2.gz XKGNTHXAOHUSPM-DZGCQCFKSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353661781 220234114 /nfs/dbraw/zinc/23/41/14/220234114.db2.gz XKGNTHXAOHUSPM-DZGCQCFKSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353661781 220234117 /nfs/dbraw/zinc/23/41/17/220234117.db2.gz XKGNTHXAOHUSPM-DZGCQCFKSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353661781 220234121 /nfs/dbraw/zinc/23/41/21/220234121.db2.gz XKGNTHXAOHUSPM-DZGCQCFKSA-N 2 2 278.415 3.303 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000177948812 373729007 /nfs/dbraw/zinc/72/90/07/373729007.db2.gz QDDBPYICWRUGTM-YWPYICTPSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000177948812 373729015 /nfs/dbraw/zinc/72/90/15/373729015.db2.gz QDDBPYICWRUGTM-YWPYICTPSA-N 2 2 294.826 3.236 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449472251 373757358 /nfs/dbraw/zinc/75/73/58/373757358.db2.gz FLERBGVSIJFMHI-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449472251 373757363 /nfs/dbraw/zinc/75/73/63/373757363.db2.gz FLERBGVSIJFMHI-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178308429 373764851 /nfs/dbraw/zinc/76/48/51/373764851.db2.gz HNXFHODJKJBLFF-OAHLLOKOSA-N 2 2 294.826 3.239 20 0 CGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178308415 373765062 /nfs/dbraw/zinc/76/50/62/373765062.db2.gz HNXFHODJKJBLFF-HNNXBMFYSA-N 2 2 294.826 3.239 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000449554081 373832769 /nfs/dbraw/zinc/83/27/69/373832769.db2.gz AEPPNZPRMJACFZ-XQQFMLRXSA-N 2 2 268.832 3.372 20 0 CGADLP Cc1ccc(N2CCC(Nc3cc(C)cc[nH+]3)CC2)[nH+]c1 ZINC000301671959 373797338 /nfs/dbraw/zinc/79/73/38/373797338.db2.gz ZFEGEYIQLRVFRD-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP c1cn2c(cccc2C[N@H+](C2CC2)C2CCCC2)[nH+]1 ZINC000179679549 373902823 /nfs/dbraw/zinc/90/28/23/373902823.db2.gz NEFIMEHVMCRJQV-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP c1cn2c(cccc2C[N@@H+](C2CC2)C2CCCC2)[nH+]1 ZINC000179679549 373902828 /nfs/dbraw/zinc/90/28/28/373902828.db2.gz NEFIMEHVMCRJQV-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000071200726 541895203 /nfs/dbraw/zinc/89/52/03/541895203.db2.gz ZBMSPHIWAZFZEH-GVDBMIGSSA-N 2 2 258.409 3.005 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000071200726 541895207 /nfs/dbraw/zinc/89/52/07/541895207.db2.gz ZBMSPHIWAZFZEH-GVDBMIGSSA-N 2 2 258.409 3.005 20 0 CGADLP Fc1cccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000179427505 373872520 /nfs/dbraw/zinc/87/25/20/373872520.db2.gz MYAUUMQILPASQA-UHFFFAOYSA-N 2 2 281.334 3.252 20 0 CGADLP c1cn2c(cccc2C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)[nH+]1 ZINC000180456032 374010755 /nfs/dbraw/zinc/01/07/55/374010755.db2.gz XVYWDSDERMODKR-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP c1cn2c(cccc2C[N@H+](C[C@@H]2CCCO2)C2CCCC2)[nH+]1 ZINC000180456032 374010763 /nfs/dbraw/zinc/01/07/63/374010763.db2.gz XVYWDSDERMODKR-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737311 374040496 /nfs/dbraw/zinc/04/04/96/374040496.db2.gz DUTSVPRKNANJIO-OGHNNQOOSA-N 2 2 276.399 3.492 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@@H+]1C ZINC000180973643 374064702 /nfs/dbraw/zinc/06/47/02/374064702.db2.gz RANDKUXELJBAEM-GOEBONIOSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973643 374064706 /nfs/dbraw/zinc/06/47/06/374064706.db2.gz RANDKUXELJBAEM-GOEBONIOSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181084111 374075883 /nfs/dbraw/zinc/07/58/83/374075883.db2.gz JNDIUOBLULUVRL-INIZCTEOSA-N 2 2 271.408 3.226 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181084111 374075890 /nfs/dbraw/zinc/07/58/90/374075890.db2.gz JNDIUOBLULUVRL-INIZCTEOSA-N 2 2 271.408 3.226 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000181402058 374118284 /nfs/dbraw/zinc/11/82/84/374118284.db2.gz DTCCDTNPRZJDNQ-VKJFTORMSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000181402058 374118287 /nfs/dbraw/zinc/11/82/87/374118287.db2.gz DTCCDTNPRZJDNQ-VKJFTORMSA-N 2 2 284.403 3.451 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467187 374150522 /nfs/dbraw/zinc/15/05/22/374150522.db2.gz KQYPAYKBCSAOHP-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467187 374150529 /nfs/dbraw/zinc/15/05/29/374150529.db2.gz KQYPAYKBCSAOHP-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467187 374150532 /nfs/dbraw/zinc/15/05/32/374150532.db2.gz KQYPAYKBCSAOHP-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467187 374150535 /nfs/dbraw/zinc/15/05/35/374150535.db2.gz KQYPAYKBCSAOHP-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706688 374253718 /nfs/dbraw/zinc/25/37/18/374253718.db2.gz RGCQDPAKNATSLT-RDJZCZTQSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706688 374253723 /nfs/dbraw/zinc/25/37/23/374253723.db2.gz RGCQDPAKNATSLT-RDJZCZTQSA-N 2 2 258.409 3.272 20 0 CGADLP C[N@@H+](CCCc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000182294797 374255128 /nfs/dbraw/zinc/25/51/28/374255128.db2.gz UGCMRHBIZCFHNE-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP C[N@H+](CCCc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000182294797 374255136 /nfs/dbraw/zinc/25/51/36/374255136.db2.gz UGCMRHBIZCFHNE-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000315395558 374328424 /nfs/dbraw/zinc/32/84/24/374328424.db2.gz FWTIIYKVEKSINH-ZDUSSCGKSA-N 2 2 299.349 3.461 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC000182686961 374313495 /nfs/dbraw/zinc/31/34/95/374313495.db2.gz AEKMFQGVQSGJCR-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC000182686961 374313507 /nfs/dbraw/zinc/31/35/07/374313507.db2.gz AEKMFQGVQSGJCR-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000331405148 374529706 /nfs/dbraw/zinc/52/97/06/374529706.db2.gz DZBXRXRACOLHGH-RYUDHWBXSA-N 2 2 281.469 3.190 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000462772429 374834253 /nfs/dbraw/zinc/83/42/53/374834253.db2.gz KBMXEFSXIXSGQA-JCYILVPMSA-N 2 2 296.499 3.292 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000462772429 374834257 /nfs/dbraw/zinc/83/42/57/374834257.db2.gz KBMXEFSXIXSGQA-JCYILVPMSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000470497555 374997064 /nfs/dbraw/zinc/99/70/64/374997064.db2.gz MOJVNXDANUPKRQ-UHFFFAOYSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000470497555 374997077 /nfs/dbraw/zinc/99/70/77/374997077.db2.gz MOJVNXDANUPKRQ-UHFFFAOYSA-N 2 2 295.430 3.491 20 0 CGADLP COC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCCC1 ZINC000187447625 375024354 /nfs/dbraw/zinc/02/43/54/375024354.db2.gz AWHKAYHZYOEXAU-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000481555807 375165318 /nfs/dbraw/zinc/16/53/18/375165318.db2.gz GIRIVICXRBTCBR-QZTJIDSGSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000481555807 375165320 /nfs/dbraw/zinc/16/53/20/375165320.db2.gz GIRIVICXRBTCBR-QZTJIDSGSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335147141 375173300 /nfs/dbraw/zinc/17/33/00/375173300.db2.gz DUYIXDJFKIIXJX-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335147141 375173306 /nfs/dbraw/zinc/17/33/06/375173306.db2.gz DUYIXDJFKIIXJX-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP COc1cccc2c(N3CC[N@H+](C)[C@H](C(C)C)C3)cc[nH+]c12 ZINC000487137576 375201006 /nfs/dbraw/zinc/20/10/06/375201006.db2.gz LUIBYMDKDUJZOZ-INIZCTEOSA-N 2 2 299.418 3.020 20 0 CGADLP COc1cccc2c(N3CC[N@@H+](C)[C@H](C(C)C)C3)cc[nH+]c12 ZINC000487137576 375201016 /nfs/dbraw/zinc/20/10/16/375201016.db2.gz LUIBYMDKDUJZOZ-INIZCTEOSA-N 2 2 299.418 3.020 20 0 CGADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000188999869 375308268 /nfs/dbraw/zinc/30/82/68/375308268.db2.gz VUZCYVZTURCRJI-QZTJIDSGSA-N 2 2 272.436 3.083 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000335684308 375343937 /nfs/dbraw/zinc/34/39/37/375343937.db2.gz JUSVSTNSTRCHGL-GJZGRUSLSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cnn1C(C)C ZINC000191139131 375583533 /nfs/dbraw/zinc/58/35/33/375583533.db2.gz WEZRRBBZTLDSJH-ZDUSSCGKSA-N 2 2 290.455 3.050 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OCC)CC1 ZINC000119228159 542005767 /nfs/dbraw/zinc/00/57/67/542005767.db2.gz ZWGRWIIYACSUTM-UHFFFAOYSA-N 2 2 290.451 3.358 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000120796789 542013921 /nfs/dbraw/zinc/01/39/21/542013921.db2.gz LPJVQIVRWDISJZ-HNNXBMFYSA-N 2 2 293.480 3.367 20 0 CGADLP CCCc1csc(C[NH2+]CC2(C[NH+](C)C)CCCC2)n1 ZINC000494844088 535449534 /nfs/dbraw/zinc/44/95/34/535449534.db2.gz FIHSOQTWWFJWAG-UHFFFAOYSA-N 2 2 295.496 3.307 20 0 CGADLP Cc1sccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000507122921 375677065 /nfs/dbraw/zinc/67/70/65/375677065.db2.gz WAGZBKOSEWCIGS-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H](C)O1 ZINC000192019256 375690316 /nfs/dbraw/zinc/69/03/16/375690316.db2.gz UVZZDZFIIQHDRV-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cccnc1 ZINC000192129500 375700423 /nfs/dbraw/zinc/70/04/23/375700423.db2.gz DVURFAZBEQJERY-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cccnc1 ZINC000192129500 375700431 /nfs/dbraw/zinc/70/04/31/375700431.db2.gz DVURFAZBEQJERY-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000336540659 375818566 /nfs/dbraw/zinc/81/85/66/375818566.db2.gz YIMOBLINGCJQMR-OAHLLOKOSA-N 2 2 287.382 3.294 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000193123118 375830916 /nfs/dbraw/zinc/83/09/16/375830916.db2.gz VVWMOSDSBTWXGC-DZGCQCFKSA-N 2 2 284.407 3.182 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000336854037 376013278 /nfs/dbraw/zinc/01/32/78/376013278.db2.gz LMMAYVOGDKYCEN-HHXXYDBFSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000336854037 376013285 /nfs/dbraw/zinc/01/32/85/376013285.db2.gz LMMAYVOGDKYCEN-HHXXYDBFSA-N 2 2 295.430 3.243 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)cs1 ZINC000336892606 376022559 /nfs/dbraw/zinc/02/25/59/376022559.db2.gz SAJCCOGWRTXQLM-INIZCTEOSA-N 2 2 274.433 3.449 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000211727044 376134410 /nfs/dbraw/zinc/13/44/10/376134410.db2.gz RQNYHPLBYSCPPF-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860507 376138046 /nfs/dbraw/zinc/13/80/46/376138046.db2.gz ZPRAGEFTAVLENT-CZUORRHYSA-N 2 2 296.842 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860507 376138054 /nfs/dbraw/zinc/13/80/54/376138054.db2.gz ZPRAGEFTAVLENT-CZUORRHYSA-N 2 2 296.842 3.039 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000536881061 376141655 /nfs/dbraw/zinc/14/16/55/376141655.db2.gz FKUMUNUBLVOOAM-YJBOKZPZSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000536881061 376141661 /nfs/dbraw/zinc/14/16/61/376141661.db2.gz FKUMUNUBLVOOAM-YJBOKZPZSA-N 2 2 274.452 3.457 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000537180404 376152035 /nfs/dbraw/zinc/15/20/35/376152035.db2.gz VKUFRJLCKINJEK-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000537180404 376152041 /nfs/dbraw/zinc/15/20/41/376152041.db2.gz VKUFRJLCKINJEK-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000537180404 376152049 /nfs/dbraw/zinc/15/20/49/376152049.db2.gz VKUFRJLCKINJEK-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000537180404 376152055 /nfs/dbraw/zinc/15/20/55/376152055.db2.gz VKUFRJLCKINJEK-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP Cc1cc2cc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)oc2cc1C ZINC000537634795 376187639 /nfs/dbraw/zinc/18/76/39/376187639.db2.gz TYLZGXRJQYMSHZ-WMLDXEAASA-N 2 2 284.403 3.233 20 0 CGADLP Cc1cc2cc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)oc2cc1C ZINC000537634795 376187643 /nfs/dbraw/zinc/18/76/43/376187643.db2.gz TYLZGXRJQYMSHZ-WMLDXEAASA-N 2 2 284.403 3.233 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234718 376187777 /nfs/dbraw/zinc/18/77/77/376187777.db2.gz UZAYTOKPPDIJMN-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234718 376187781 /nfs/dbraw/zinc/18/77/81/376187781.db2.gz UZAYTOKPPDIJMN-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538264063 376227748 /nfs/dbraw/zinc/22/77/48/376227748.db2.gz AWYJBFKVYPFGDR-OCCSQVGLSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538264063 376227751 /nfs/dbraw/zinc/22/77/51/376227751.db2.gz AWYJBFKVYPFGDR-OCCSQVGLSA-N 2 2 273.355 3.110 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337986533 376250474 /nfs/dbraw/zinc/25/04/74/376250474.db2.gz NZRCKYCPQFCQHW-HOTGVXAUSA-N 2 2 270.436 3.226 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093814 376293101 /nfs/dbraw/zinc/29/31/01/376293101.db2.gz PTVUMUFEEJEMPX-GXFFZTMASA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093814 376293108 /nfs/dbraw/zinc/29/31/08/376293108.db2.gz PTVUMUFEEJEMPX-GXFFZTMASA-N 2 2 287.234 3.076 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000539087502 376293971 /nfs/dbraw/zinc/29/39/71/376293971.db2.gz VAZYPRHAZCDSBG-WQVCFCJDSA-N 2 2 280.843 3.201 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000539087502 376293972 /nfs/dbraw/zinc/29/39/72/376293972.db2.gz VAZYPRHAZCDSBG-WQVCFCJDSA-N 2 2 280.843 3.201 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CSCC[NH+](C)C ZINC000338554450 376426440 /nfs/dbraw/zinc/42/64/40/376426440.db2.gz KOAQYCIFQFVOMS-UHFFFAOYSA-N 2 2 252.427 3.308 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000338779742 376531174 /nfs/dbraw/zinc/53/11/74/376531174.db2.gz LJNSVABMBXWHTD-CABCVRRESA-N 2 2 261.413 3.002 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCCCCC1 ZINC000542475059 376547691 /nfs/dbraw/zinc/54/76/91/376547691.db2.gz SLUQRTPYSWEEFJ-NVXWUHKLSA-N 2 2 282.472 3.046 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCCCCC1 ZINC000542475059 376547696 /nfs/dbraw/zinc/54/76/96/376547696.db2.gz SLUQRTPYSWEEFJ-NVXWUHKLSA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC(C)C1)c1ccccc1 ZINC000231786972 376572711 /nfs/dbraw/zinc/57/27/11/376572711.db2.gz QAUCGXNLEDKCQL-PREGVCBESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000542779045 376578622 /nfs/dbraw/zinc/57/86/22/376578622.db2.gz HZAXGWCPTCCBHV-INIZCTEOSA-N 2 2 290.386 3.184 20 0 CGADLP Cc1c[nH+]ccc1CCNc1cc[nH+]c2ccccc12 ZINC000339056124 376649675 /nfs/dbraw/zinc/64/96/75/376649675.db2.gz MLZNRNBPHFCZMM-UHFFFAOYSA-N 2 2 263.344 3.015 20 0 CGADLP CCn1cc[nH+]c1[C@H]1CCCCN1CCC[NH+](CC)CC ZINC000339151743 376712100 /nfs/dbraw/zinc/71/21/00/376712100.db2.gz JLNLWNCRKIXHQR-MRXNPFEDSA-N 2 2 292.471 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545151442 376788585 /nfs/dbraw/zinc/78/85/85/376788585.db2.gz UKZZCNTXLDXTCD-VKAVYKQESA-N 2 2 270.420 3.332 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545151442 376788592 /nfs/dbraw/zinc/78/85/92/376788592.db2.gz UKZZCNTXLDXTCD-VKAVYKQESA-N 2 2 270.420 3.332 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157668608 542137473 /nfs/dbraw/zinc/13/74/73/542137473.db2.gz NXNLAMPRAGCVNL-GDBMZVCRSA-N 2 2 250.430 3.195 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157668608 542137479 /nfs/dbraw/zinc/13/74/79/542137479.db2.gz NXNLAMPRAGCVNL-GDBMZVCRSA-N 2 2 250.430 3.195 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157752765 542139236 /nfs/dbraw/zinc/13/92/36/542139236.db2.gz CPGJZHUKDYBVSM-HOCLYGCPSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157752765 542139241 /nfs/dbraw/zinc/13/92/41/542139241.db2.gz CPGJZHUKDYBVSM-HOCLYGCPSA-N 2 2 258.409 3.130 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556877502 376898857 /nfs/dbraw/zinc/89/88/57/376898857.db2.gz JPKBTFDHEMWRKP-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556877502 376898867 /nfs/dbraw/zinc/89/88/67/376898867.db2.gz JPKBTFDHEMWRKP-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC000245563635 376855884 /nfs/dbraw/zinc/85/58/84/376855884.db2.gz PVCGDFWYZORSDW-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC000245563635 376855887 /nfs/dbraw/zinc/85/58/87/376855887.db2.gz PVCGDFWYZORSDW-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000245563635 376855889 /nfs/dbraw/zinc/85/58/89/376855889.db2.gz PVCGDFWYZORSDW-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000245563635 376855893 /nfs/dbraw/zinc/85/58/93/376855893.db2.gz PVCGDFWYZORSDW-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1C3CC4CC(C3)CC1C4)CCCC2 ZINC000556606131 376865662 /nfs/dbraw/zinc/86/56/62/376865662.db2.gz ULLZIZLCJWVVQE-UHFFFAOYSA-N 2 2 285.435 3.134 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703539 376883910 /nfs/dbraw/zinc/88/39/10/376883910.db2.gz BRLLDVLWYHICGJ-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703539 376883920 /nfs/dbraw/zinc/88/39/20/376883920.db2.gz BRLLDVLWYHICGJ-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703539 376883932 /nfs/dbraw/zinc/88/39/32/376883932.db2.gz BRLLDVLWYHICGJ-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703539 376883942 /nfs/dbraw/zinc/88/39/42/376883942.db2.gz BRLLDVLWYHICGJ-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000245908973 376933065 /nfs/dbraw/zinc/93/30/65/376933065.db2.gz UUJOFGCITHBHKJ-NUJGCVRESA-N 2 2 299.418 3.124 20 0 CGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000245908973 376933069 /nfs/dbraw/zinc/93/30/69/376933069.db2.gz UUJOFGCITHBHKJ-NUJGCVRESA-N 2 2 299.418 3.124 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000340245065 376961399 /nfs/dbraw/zinc/96/13/99/376961399.db2.gz NKCXCXSCSMPWEC-QZTJIDSGSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000340245065 376961402 /nfs/dbraw/zinc/96/14/02/376961402.db2.gz NKCXCXSCSMPWEC-QZTJIDSGSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340245065 376961408 /nfs/dbraw/zinc/96/14/08/376961408.db2.gz NKCXCXSCSMPWEC-QZTJIDSGSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000340245065 376961416 /nfs/dbraw/zinc/96/14/16/376961416.db2.gz NKCXCXSCSMPWEC-QZTJIDSGSA-N 2 2 296.499 3.122 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000246405320 377023882 /nfs/dbraw/zinc/02/38/82/377023882.db2.gz MAAFBFAYFJYZJO-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000246405320 377023891 /nfs/dbraw/zinc/02/38/91/377023891.db2.gz MAAFBFAYFJYZJO-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340391647 377032108 /nfs/dbraw/zinc/03/21/08/377032108.db2.gz IACYKYBJVVBXRI-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340391647 377032118 /nfs/dbraw/zinc/03/21/18/377032118.db2.gz IACYKYBJVVBXRI-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000558698528 377034555 /nfs/dbraw/zinc/03/45/55/377034555.db2.gz HOZGDLQPQFGIPW-KBPBESRZSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000558698528 377034565 /nfs/dbraw/zinc/03/45/65/377034565.db2.gz HOZGDLQPQFGIPW-KBPBESRZSA-N 2 2 296.405 3.217 20 0 CGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000340516425 377116199 /nfs/dbraw/zinc/11/61/99/377116199.db2.gz YXRZRRBUVLPZBB-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975853 377058460 /nfs/dbraw/zinc/05/84/60/377058460.db2.gz DZCUERKTSFUGBK-CUDZTTRCSA-N 2 2 284.447 3.251 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975853 377058468 /nfs/dbraw/zinc/05/84/68/377058468.db2.gz DZCUERKTSFUGBK-CUDZTTRCSA-N 2 2 284.447 3.251 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000246841116 377103331 /nfs/dbraw/zinc/10/33/31/377103331.db2.gz AXYHAVHBMNMKGH-KYOSRNDESA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000246841116 377103338 /nfs/dbraw/zinc/10/33/38/377103338.db2.gz AXYHAVHBMNMKGH-KYOSRNDESA-N 2 2 294.439 3.435 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000560856057 377195007 /nfs/dbraw/zinc/19/50/07/377195007.db2.gz WVCLTLGWGISZOK-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000560856057 377195020 /nfs/dbraw/zinc/19/50/20/377195020.db2.gz WVCLTLGWGISZOK-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP CCC1CC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000560246838 377133203 /nfs/dbraw/zinc/13/32/03/377133203.db2.gz VFVLFUOJRBWWCK-OBHHBEAMSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000560246838 377133209 /nfs/dbraw/zinc/13/32/09/377133209.db2.gz VFVLFUOJRBWWCK-OBHHBEAMSA-N 2 2 272.436 3.428 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247033287 377144678 /nfs/dbraw/zinc/14/46/78/377144678.db2.gz DNNSBZOSINGDGH-UKRRQHHQSA-N 2 2 255.365 3.099 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247033287 377144681 /nfs/dbraw/zinc/14/46/81/377144681.db2.gz DNNSBZOSINGDGH-UKRRQHHQSA-N 2 2 255.365 3.099 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1OC ZINC000247096489 377160722 /nfs/dbraw/zinc/16/07/22/377160722.db2.gz PSTQBLIHWIKCHP-HYVNUMGLSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1OC ZINC000247096489 377160730 /nfs/dbraw/zinc/16/07/30/377160730.db2.gz PSTQBLIHWIKCHP-HYVNUMGLSA-N 2 2 290.451 3.465 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957758 377246595 /nfs/dbraw/zinc/24/65/95/377246595.db2.gz FTZUESBHJFKJDF-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957758 377246604 /nfs/dbraw/zinc/24/66/04/377246604.db2.gz FTZUESBHJFKJDF-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957758 377246616 /nfs/dbraw/zinc/24/66/16/377246616.db2.gz FTZUESBHJFKJDF-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957758 377246626 /nfs/dbraw/zinc/24/66/26/377246626.db2.gz FTZUESBHJFKJDF-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100638 377277892 /nfs/dbraw/zinc/27/78/92/377277892.db2.gz UUIUSRUWRJAFLF-VYXJFRSESA-N 2 2 299.462 3.462 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100638 377277898 /nfs/dbraw/zinc/27/78/98/377277898.db2.gz UUIUSRUWRJAFLF-VYXJFRSESA-N 2 2 299.462 3.462 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000248899038 377424128 /nfs/dbraw/zinc/42/41/28/377424128.db2.gz UVZZDZFIIQHDRV-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000248899038 377424141 /nfs/dbraw/zinc/42/41/41/377424141.db2.gz UVZZDZFIIQHDRV-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)s1 ZINC000313253606 249089882 /nfs/dbraw/zinc/08/98/82/249089882.db2.gz NXWZCRXAXWIFRN-SECBINFHSA-N 2 2 269.801 3.028 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313254598 249089976 /nfs/dbraw/zinc/08/99/76/249089976.db2.gz PVMYXEBBGXKONP-MRXNPFEDSA-N 2 2 257.381 3.094 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)C1CC1 ZINC000516161931 249227158 /nfs/dbraw/zinc/22/71/58/249227158.db2.gz GAWQHTSGSONMJN-CQSZACIVSA-N 2 2 279.453 3.018 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2ccc(C)cc2C)n1C ZINC000518219170 249277648 /nfs/dbraw/zinc/27/76/48/249277648.db2.gz ZMWYVHUBAGJZNI-UHFFFAOYSA-N 2 2 285.435 3.413 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000251871966 377602454 /nfs/dbraw/zinc/60/24/54/377602454.db2.gz QPMBOHKMYRQKAK-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000251871966 377602462 /nfs/dbraw/zinc/60/24/62/377602462.db2.gz QPMBOHKMYRQKAK-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000251871964 377603385 /nfs/dbraw/zinc/60/33/85/377603385.db2.gz QPMBOHKMYRQKAK-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000251871964 377603396 /nfs/dbraw/zinc/60/33/96/377603396.db2.gz QPMBOHKMYRQKAK-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000180451490 542210479 /nfs/dbraw/zinc/21/04/79/542210479.db2.gz RIKNQYPAMQFMTH-CYBMUJFWSA-N 2 2 286.423 3.021 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000180451490 542210483 /nfs/dbraw/zinc/21/04/83/542210483.db2.gz RIKNQYPAMQFMTH-CYBMUJFWSA-N 2 2 286.423 3.021 20 0 CGADLP c1csc(-c2ncc(C[NH2+]CCC[NH+]3CCC3)s2)c1 ZINC000574099967 377622243 /nfs/dbraw/zinc/62/22/43/377622243.db2.gz JKDGMDRTRSUEBB-UHFFFAOYSA-N 2 2 293.461 3.057 20 0 CGADLP CC[N@H+](CCc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342693346 377739740 /nfs/dbraw/zinc/73/97/40/377739740.db2.gz UGPAVIXIRFCXIA-UHFFFAOYSA-N 2 2 285.416 3.460 20 0 CGADLP CC[N@@H+](CCc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342693346 377739745 /nfs/dbraw/zinc/73/97/45/377739745.db2.gz UGPAVIXIRFCXIA-UHFFFAOYSA-N 2 2 285.416 3.460 20 0 CGADLP CCC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000342737013 377764691 /nfs/dbraw/zinc/76/46/91/377764691.db2.gz QXARYDAWZKXKTD-UHFFFAOYSA-N 2 2 273.355 3.290 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262006884 377878727 /nfs/dbraw/zinc/87/87/27/377878727.db2.gz LYQJBHMKSMTGEO-BEFAXECRSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262006884 377878732 /nfs/dbraw/zinc/87/87/32/377878732.db2.gz LYQJBHMKSMTGEO-BEFAXECRSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@H]1[NH3+] ZINC000262007713 377878835 /nfs/dbraw/zinc/87/88/35/377878835.db2.gz LYQJBHMKSMTGEO-HNAYVOBHSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@H]1[NH3+] ZINC000262007713 377878839 /nfs/dbraw/zinc/87/88/39/377878839.db2.gz LYQJBHMKSMTGEO-HNAYVOBHSA-N 2 2 296.414 3.045 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)n1C ZINC000575332092 377879792 /nfs/dbraw/zinc/87/97/92/377879792.db2.gz NUNLVRBMHIVHKR-ZDUSSCGKSA-N 2 2 287.407 3.367 20 0 CGADLP Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343305599 377949202 /nfs/dbraw/zinc/94/92/02/377949202.db2.gz SWMBOXYKNYAVPD-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343305599 377949207 /nfs/dbraw/zinc/94/92/07/377949207.db2.gz SWMBOXYKNYAVPD-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000343528820 378008259 /nfs/dbraw/zinc/00/82/59/378008259.db2.gz BUQQTQPHDAAKKG-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759964 377988993 /nfs/dbraw/zinc/98/89/93/377988993.db2.gz YIDGHFNYNLRLRR-DGCLKSJQSA-N 2 2 279.453 3.112 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759964 377989000 /nfs/dbraw/zinc/98/90/00/377989000.db2.gz YIDGHFNYNLRLRR-DGCLKSJQSA-N 2 2 279.453 3.112 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000343487622 377993773 /nfs/dbraw/zinc/99/37/73/377993773.db2.gz MEICWVKLQZTCCJ-BRWVUGGUSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000343487622 377993779 /nfs/dbraw/zinc/99/37/79/377993779.db2.gz MEICWVKLQZTCCJ-BRWVUGGUSA-N 2 2 299.462 3.243 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343560941 378021623 /nfs/dbraw/zinc/02/16/23/378021623.db2.gz HMSIMIFQHTUNGJ-CRAIPNDOSA-N 2 2 290.451 3.043 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343560941 378021627 /nfs/dbraw/zinc/02/16/27/378021627.db2.gz HMSIMIFQHTUNGJ-CRAIPNDOSA-N 2 2 290.451 3.043 20 0 CGADLP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)[C@H]1CC[NH2+]C1 ZINC000577952719 378025291 /nfs/dbraw/zinc/02/52/91/378025291.db2.gz XLDASPDIRPSHQS-ZDUSSCGKSA-N 2 2 290.407 3.348 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)[C@H]1CC[NH2+]C1 ZINC000577952719 378025295 /nfs/dbraw/zinc/02/52/95/378025295.db2.gz XLDASPDIRPSHQS-ZDUSSCGKSA-N 2 2 290.407 3.348 20 0 CGADLP Cc1ccc[nH+]c1NCc1[nH+]ccn1Cc1ccccc1 ZINC000343572751 378025525 /nfs/dbraw/zinc/02/55/25/378025525.db2.gz PGZIIQUXYVFVOO-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1F ZINC000268792216 378112718 /nfs/dbraw/zinc/11/27/18/378112718.db2.gz DQKYMVRUQHEGEL-NWDGAFQWSA-N 2 2 293.411 3.483 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000268804183 378115198 /nfs/dbraw/zinc/11/51/98/378115198.db2.gz INASZWFROVJBHT-NXEZZACHSA-N 2 2 283.297 3.040 20 0 CGADLP CC(C)C[C@@]1(C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000578664048 378090800 /nfs/dbraw/zinc/09/08/00/378090800.db2.gz AZGKLIUXCXLTDM-MRXNPFEDSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@@]1(C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000578664048 378090805 /nfs/dbraw/zinc/09/08/05/378090805.db2.gz AZGKLIUXCXLTDM-MRXNPFEDSA-N 2 2 263.429 3.253 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000269335915 378208519 /nfs/dbraw/zinc/20/85/19/378208519.db2.gz OZIRWVPPGZOXGH-QWHCGFSZSA-N 2 2 299.374 3.377 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000579408121 378157092 /nfs/dbraw/zinc/15/70/92/378157092.db2.gz RPPNOBXMPSXPRL-RYUDHWBXSA-N 2 2 288.357 3.349 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176162 /nfs/dbraw/zinc/17/61/62/378176162.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176164 /nfs/dbraw/zinc/17/61/64/378176164.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176168 /nfs/dbraw/zinc/17/61/68/378176168.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612750 378176171 /nfs/dbraw/zinc/17/61/71/378176171.db2.gz XFLKHIVFTDFPKB-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000582132427 378288988 /nfs/dbraw/zinc/28/89/88/378288988.db2.gz MLINYZDYHHFHRU-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000582132427 378288991 /nfs/dbraw/zinc/28/89/91/378288991.db2.gz MLINYZDYHHFHRU-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000580129215 378226611 /nfs/dbraw/zinc/22/66/11/378226611.db2.gz QQIOZFFHZIIEGS-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000580129215 378226616 /nfs/dbraw/zinc/22/66/16/378226616.db2.gz QQIOZFFHZIIEGS-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)c1[nH+]c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccn21 ZINC000583268783 378315929 /nfs/dbraw/zinc/31/59/29/378315929.db2.gz NHBUJHLBDGPXTD-PBHICJAKSA-N 2 2 299.418 3.069 20 0 CGADLP CC(C)c1[nH+]c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ccccn21 ZINC000583268783 378315934 /nfs/dbraw/zinc/31/59/34/378315934.db2.gz NHBUJHLBDGPXTD-PBHICJAKSA-N 2 2 299.418 3.069 20 0 CGADLP CC[C@H](O)C[NH2+]C[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000583317255 378321319 /nfs/dbraw/zinc/32/13/19/378321319.db2.gz BEERGNCVDZNIBU-JQHSSLGASA-N 2 2 292.467 3.112 20 0 CGADLP CC(C)c1cc(NC[C@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000270478750 378357225 /nfs/dbraw/zinc/35/72/25/378357225.db2.gz HVMYFVFEECNQGT-CYBMUJFWSA-N 2 2 276.428 3.087 20 0 CGADLP CC(C)c1cc(NC[C@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000270478750 378357232 /nfs/dbraw/zinc/35/72/32/378357232.db2.gz HVMYFVFEECNQGT-CYBMUJFWSA-N 2 2 276.428 3.087 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccccc1OC ZINC000270858000 378405843 /nfs/dbraw/zinc/40/58/43/378405843.db2.gz RBBQQUUXJQACGD-HNNXBMFYSA-N 2 2 287.407 3.365 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000584053488 378370535 /nfs/dbraw/zinc/37/05/35/378370535.db2.gz NHOCCAKGAPHNKV-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000584053488 378370539 /nfs/dbraw/zinc/37/05/39/378370539.db2.gz NHOCCAKGAPHNKV-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000270691571 378389578 /nfs/dbraw/zinc/38/95/78/378389578.db2.gz XRCVBXMUDDCQPT-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000270691571 378389584 /nfs/dbraw/zinc/38/95/84/378389584.db2.gz XRCVBXMUDDCQPT-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cscn1 ZINC000271183041 378474818 /nfs/dbraw/zinc/47/48/18/378474818.db2.gz WFSNGOXVBFGTJX-GFCCVEGCSA-N 2 2 276.409 3.081 20 0 CGADLP Cc1ccc(C)n1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000271912009 378514864 /nfs/dbraw/zinc/51/48/64/378514864.db2.gz IOWQJKOHWSLWFZ-UHFFFAOYSA-N 2 2 286.423 3.029 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346538847 378610794 /nfs/dbraw/zinc/61/07/94/378610794.db2.gz XZFQXKVDGDXREA-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP FC(F)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000637983373 378658309 /nfs/dbraw/zinc/65/83/09/378658309.db2.gz NSASRHZXFJWYLE-UHFFFAOYSA-N 2 2 292.333 3.053 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664478 378667545 /nfs/dbraw/zinc/66/75/45/378667545.db2.gz ZEUSKLFUFWPOIM-VYDXJSESSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664478 378667548 /nfs/dbraw/zinc/66/75/48/378667548.db2.gz ZEUSKLFUFWPOIM-VYDXJSESSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000346695460 378679176 /nfs/dbraw/zinc/67/91/76/378679176.db2.gz CATJOEUYZQLFBE-LRDDRELGSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000346695460 378679180 /nfs/dbraw/zinc/67/91/80/378679180.db2.gz CATJOEUYZQLFBE-LRDDRELGSA-N 2 2 297.446 3.500 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)CCC2 ZINC000346800606 378688836 /nfs/dbraw/zinc/68/88/36/378688836.db2.gz RYXMPXLDRVIEEK-FSPWUOQZSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)CCC2 ZINC000346800606 378688843 /nfs/dbraw/zinc/68/88/43/378688843.db2.gz RYXMPXLDRVIEEK-FSPWUOQZSA-N 2 2 288.435 3.145 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)s1 ZINC000346798609 378689105 /nfs/dbraw/zinc/68/91/05/378689105.db2.gz PUGJMJJQJGGNAL-OUCADQQQSA-N 2 2 266.454 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)s1 ZINC000346798609 378689112 /nfs/dbraw/zinc/68/91/12/378689112.db2.gz PUGJMJJQJGGNAL-OUCADQQQSA-N 2 2 266.454 3.444 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)[nH]1 ZINC000273202060 378738920 /nfs/dbraw/zinc/73/89/20/378738920.db2.gz FFRXKOUYVRFSBF-KRWDZBQOSA-N 2 2 299.418 3.196 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)[nH]1 ZINC000273202060 378738925 /nfs/dbraw/zinc/73/89/25/378738925.db2.gz FFRXKOUYVRFSBF-KRWDZBQOSA-N 2 2 299.418 3.196 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638287715 378756389 /nfs/dbraw/zinc/75/63/89/378756389.db2.gz VYDPVVLVPLLJBZ-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP c1csc([C@H](C[NH2+]CCC[C@H]2CCO2)[NH+]2CCCC2)c1 ZINC000638286472 378756499 /nfs/dbraw/zinc/75/64/99/378756499.db2.gz NFBHOQDGVJRAJF-GJZGRUSLSA-N 2 2 294.464 3.044 20 0 CGADLP C[C@@]1(C[NH2+]CCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000638404910 378792148 /nfs/dbraw/zinc/79/21/48/378792148.db2.gz PGHOWMRCCGJXLG-ROUUACIJSA-N 2 2 283.419 3.447 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346799720 218017226 /nfs/dbraw/zinc/01/72/26/218017226.db2.gz ACIHAIHEEDIWOA-KCPJHIHWSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC[N@H+]1C ZINC000346799720 218017227 /nfs/dbraw/zinc/01/72/27/218017227.db2.gz ACIHAIHEEDIWOA-KCPJHIHWSA-N 2 2 294.439 3.435 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)OC ZINC000638442363 378804206 /nfs/dbraw/zinc/80/42/06/378804206.db2.gz SNEMSIKDAFXLSB-XJKSGUPXSA-N 2 2 289.423 3.146 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3sccc32)CCC[N@@H+]1C ZINC000346807100 218020870 /nfs/dbraw/zinc/02/08/70/218020870.db2.gz LRCMTBBLMZSGQC-KWCYVHTRSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3sccc32)CCC[N@H+]1C ZINC000346807100 218020872 /nfs/dbraw/zinc/02/08/72/218020872.db2.gz LRCMTBBLMZSGQC-KWCYVHTRSA-N 2 2 264.438 3.198 20 0 CGADLP CC(C)[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348219808 378845342 /nfs/dbraw/zinc/84/53/42/378845342.db2.gz DQMIXWBCGYTZIW-ZDUSSCGKSA-N 2 2 281.469 3.073 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348219808 378845346 /nfs/dbraw/zinc/84/53/46/378845346.db2.gz DQMIXWBCGYTZIW-ZDUSSCGKSA-N 2 2 281.469 3.073 20 0 CGADLP CO[C@@H](C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000638601122 378846394 /nfs/dbraw/zinc/84/63/94/378846394.db2.gz KFXLMVRRDDFESI-PBHICJAKSA-N 2 2 290.451 3.130 20 0 CGADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638564380 378837179 /nfs/dbraw/zinc/83/71/79/378837179.db2.gz KICSHNPHILXBGI-MRXNPFEDSA-N 2 2 260.425 3.236 20 0 CGADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638564380 378837185 /nfs/dbraw/zinc/83/71/85/378837185.db2.gz KICSHNPHILXBGI-MRXNPFEDSA-N 2 2 260.425 3.236 20 0 CGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000346939322 218064084 /nfs/dbraw/zinc/06/40/84/218064084.db2.gz HVQYJSIXNAXZJD-DZGCQCFKSA-N 2 2 290.455 3.068 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000346992056 218083214 /nfs/dbraw/zinc/08/32/14/218083214.db2.gz AHOPBIBHTGKPSH-GXTWGEPZSA-N 2 2 281.469 3.043 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000346992056 218083215 /nfs/dbraw/zinc/08/32/15/218083215.db2.gz AHOPBIBHTGKPSH-GXTWGEPZSA-N 2 2 281.469 3.043 20 0 CGADLP Cn1c(C[NH2+]CCCNc2cccc[nH+]2)cc2ccccc21 ZINC000638873941 378943023 /nfs/dbraw/zinc/94/30/23/378943023.db2.gz NTWKMRNYHBDJMK-UHFFFAOYSA-N 2 2 294.402 3.165 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000347095709 218119075 /nfs/dbraw/zinc/11/90/75/218119075.db2.gz HQTDXWRFTXZVDC-AWEZNQCLSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000347095709 218119076 /nfs/dbraw/zinc/11/90/76/218119076.db2.gz HQTDXWRFTXZVDC-AWEZNQCLSA-N 2 2 264.413 3.035 20 0 CGADLP c1ccc2cc(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000347063753 218110387 /nfs/dbraw/zinc/11/03/87/218110387.db2.gz CUVWJHOQSJHIBX-GOSISDBHSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2cc(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000347063753 218110388 /nfs/dbraw/zinc/11/03/88/218110388.db2.gz CUVWJHOQSJHIBX-GOSISDBHSA-N 2 2 266.388 3.166 20 0 CGADLP CN(Cc1cn2c([nH+]1)CCCC2)c1cc[nH+]c2ccccc21 ZINC000370183361 378993108 /nfs/dbraw/zinc/99/31/08/378993108.db2.gz KSJSIACSTRICTC-UHFFFAOYSA-N 2 2 292.386 3.404 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSC(C)(C)C ZINC000370286584 379003392 /nfs/dbraw/zinc/00/33/92/379003392.db2.gz XACSYNVGVZQCLJ-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSC(C)(C)C ZINC000370286584 379003399 /nfs/dbraw/zinc/00/33/99/379003399.db2.gz XACSYNVGVZQCLJ-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSC(C)(C)C ZINC000370286584 379003406 /nfs/dbraw/zinc/00/34/06/379003406.db2.gz XACSYNVGVZQCLJ-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSC(C)(C)C ZINC000370286584 379003414 /nfs/dbraw/zinc/00/34/14/379003414.db2.gz XACSYNVGVZQCLJ-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC(C)COc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000347228144 218162138 /nfs/dbraw/zinc/16/21/38/218162138.db2.gz XBFHAIWDWZGVMO-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000347228144 218162140 /nfs/dbraw/zinc/16/21/40/218162140.db2.gz XBFHAIWDWZGVMO-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP C(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C[C@H]1CCO1 ZINC000639137254 379062937 /nfs/dbraw/zinc/06/29/37/379062937.db2.gz VNVCGLJZRZQSRO-KRWDZBQOSA-N 2 2 294.483 3.191 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149954 379171256 /nfs/dbraw/zinc/17/12/56/379171256.db2.gz MHNVFBDYWOYTKD-ZBFHGGJFSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149954 379171261 /nfs/dbraw/zinc/17/12/61/379171261.db2.gz MHNVFBDYWOYTKD-ZBFHGGJFSA-N 2 2 269.392 3.013 20 0 CGADLP Cc1ccc(CCC[N@H+](Cc2cccnc2)C2CC2)c[nH+]1 ZINC000349274518 379212973 /nfs/dbraw/zinc/21/29/73/379212973.db2.gz GAKUGMZOTIOEIM-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP Cc1ccc(CCC[N@@H+](Cc2cccnc2)C2CC2)c[nH+]1 ZINC000349274518 379212981 /nfs/dbraw/zinc/21/29/81/379212981.db2.gz GAKUGMZOTIOEIM-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373106122 379223082 /nfs/dbraw/zinc/22/30/82/379223082.db2.gz FYCBGMKLGAXMGE-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373106122 379223095 /nfs/dbraw/zinc/22/30/95/379223095.db2.gz FYCBGMKLGAXMGE-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CC[C@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373478436 379285628 /nfs/dbraw/zinc/28/56/28/379285628.db2.gz GFOSQALQZZLMCG-XGNXJENSSA-N 2 2 292.389 3.427 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349379627 379257926 /nfs/dbraw/zinc/25/79/26/379257926.db2.gz CJQCROSOSQDNQT-IAGOWNOFSA-N 2 2 269.392 3.009 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349379627 379257932 /nfs/dbraw/zinc/25/79/32/379257932.db2.gz CJQCROSOSQDNQT-IAGOWNOFSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1sccc1OC ZINC000349423380 379280039 /nfs/dbraw/zinc/28/00/39/379280039.db2.gz XDLQMEYQEKCLBU-UHFFFAOYSA-N 2 2 284.469 3.311 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1sccc1OC ZINC000349423380 379280048 /nfs/dbraw/zinc/28/00/48/379280048.db2.gz XDLQMEYQEKCLBU-UHFFFAOYSA-N 2 2 284.469 3.311 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000639374452 379328226 /nfs/dbraw/zinc/32/82/26/379328226.db2.gz GBDIZMGBYARAOG-UHFFFAOYSA-N 2 2 276.399 3.276 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000374189761 379390947 /nfs/dbraw/zinc/39/09/47/379390947.db2.gz SNUMYBGRMFWRPL-IAGOWNOFSA-N 2 2 289.467 3.348 20 0 CGADLP Cc1cc(C)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374201949 379392156 /nfs/dbraw/zinc/39/21/56/379392156.db2.gz XZZZJDWHNPHZTQ-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccoc1)CCC2 ZINC000374574467 379462762 /nfs/dbraw/zinc/46/27/62/379462762.db2.gz HOWWZOIPSUFMQJ-QWHCGFSZSA-N 2 2 259.353 3.013 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000639674764 379544046 /nfs/dbraw/zinc/54/40/46/379544046.db2.gz PSMNTEUTRGZVSR-PKOBYXMFSA-N 2 2 296.414 3.315 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000639674764 379544052 /nfs/dbraw/zinc/54/40/52/379544052.db2.gz PSMNTEUTRGZVSR-PKOBYXMFSA-N 2 2 296.414 3.315 20 0 CGADLP Clc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376727534 379596627 /nfs/dbraw/zinc/59/66/27/379596627.db2.gz DYECNJWKZLNFSS-UHFFFAOYSA-N 2 2 275.783 3.163 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376759914 379601401 /nfs/dbraw/zinc/60/14/01/379601401.db2.gz XIKBPOUMHSPATQ-GDBMZVCRSA-N 2 2 273.424 3.301 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376765870 379601445 /nfs/dbraw/zinc/60/14/45/379601445.db2.gz BSLWONMMWSBYCE-KGLIPLIRSA-N 2 2 261.413 3.135 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2cnccc2C)[NH+](C)C)cc1 ZINC000279994919 379574234 /nfs/dbraw/zinc/57/42/34/379574234.db2.gz RJTKBMBVWDKCPC-GOSISDBHSA-N 2 2 283.419 3.091 20 0 CGADLP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496221 379717563 /nfs/dbraw/zinc/71/75/63/379717563.db2.gz QNNFAOWGSUKAHB-GASCZTMLSA-N 2 2 298.352 3.003 20 0 CGADLP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496221 379717570 /nfs/dbraw/zinc/71/75/70/379717570.db2.gz QNNFAOWGSUKAHB-GASCZTMLSA-N 2 2 298.352 3.003 20 0 CGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496221 379717578 /nfs/dbraw/zinc/71/75/78/379717578.db2.gz QNNFAOWGSUKAHB-GASCZTMLSA-N 2 2 298.352 3.003 20 0 CGADLP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496221 379717581 /nfs/dbraw/zinc/71/75/81/379717581.db2.gz QNNFAOWGSUKAHB-GASCZTMLSA-N 2 2 298.352 3.003 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799460 379743856 /nfs/dbraw/zinc/74/38/56/379743856.db2.gz VCKRQYIAUDEYMT-GUYCJALGSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799460 379743864 /nfs/dbraw/zinc/74/38/64/379743864.db2.gz VCKRQYIAUDEYMT-GUYCJALGSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000389849707 379903294 /nfs/dbraw/zinc/90/32/94/379903294.db2.gz UDOKMIUNJQCEJG-PVAVHDDUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000389849707 379903300 /nfs/dbraw/zinc/90/33/00/379903300.db2.gz UDOKMIUNJQCEJG-PVAVHDDUSA-N 2 2 272.436 3.285 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000390597354 379906974 /nfs/dbraw/zinc/90/69/74/379906974.db2.gz XFNTULCCONORJN-WJFTUGDTSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000390597354 379906979 /nfs/dbraw/zinc/90/69/79/379906979.db2.gz XFNTULCCONORJN-WJFTUGDTSA-N 2 2 284.447 3.429 20 0 CGADLP c1cc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2o1 ZINC000352751729 379940624 /nfs/dbraw/zinc/94/06/24/379940624.db2.gz WMQIRMRSZVWJOX-UHFFFAOYSA-N 2 2 281.359 3.420 20 0 CGADLP c1cc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2o1 ZINC000347850162 218375810 /nfs/dbraw/zinc/37/58/10/218375810.db2.gz FLBMFBDUXGEDDI-QGZVFWFLSA-N 2 2 294.354 3.481 20 0 CGADLP c1cc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2o1 ZINC000347850162 218375811 /nfs/dbraw/zinc/37/58/11/218375811.db2.gz FLBMFBDUXGEDDI-QGZVFWFLSA-N 2 2 294.354 3.481 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324926 379947998 /nfs/dbraw/zinc/94/79/98/379947998.db2.gz CZCFBQGNHGSBAL-JTNHKYCSSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000400532408 379950725 /nfs/dbraw/zinc/95/07/25/379950725.db2.gz SBOGKZSNSDAWGF-WDMOLILDSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302661 379986437 /nfs/dbraw/zinc/98/64/37/379986437.db2.gz RVOWMOLHQKZCRV-MCIONIFRSA-N 2 2 277.387 3.062 20 0 CGADLP COc1c(C)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000352854815 380006489 /nfs/dbraw/zinc/00/64/89/380006489.db2.gz AKQMQDORPZTJCS-UHFFFAOYSA-N 2 2 299.418 3.415 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000641707776 380052832 /nfs/dbraw/zinc/05/28/32/380052832.db2.gz QCVQKDOAAHLLLM-CABCVRRESA-N 2 2 275.440 3.320 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)c3ccc(C)nc3)n2c1 ZINC000353158024 380145805 /nfs/dbraw/zinc/14/58/05/380145805.db2.gz YNWXYMFAXMHCCL-UHFFFAOYSA-N 2 2 294.402 3.371 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000641819979 380114567 /nfs/dbraw/zinc/11/45/67/380114567.db2.gz KHASTMFXFWBZLC-MRXNPFEDSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000641819979 380114572 /nfs/dbraw/zinc/11/45/72/380114572.db2.gz KHASTMFXFWBZLC-MRXNPFEDSA-N 2 2 299.418 3.353 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC000353245990 380187172 /nfs/dbraw/zinc/18/71/72/380187172.db2.gz DDMOKVSDIKLTSG-NEPJUHHUSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC000353245990 380187181 /nfs/dbraw/zinc/18/71/81/380187181.db2.gz DDMOKVSDIKLTSG-NEPJUHHUSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353267770 380197759 /nfs/dbraw/zinc/19/77/59/380197759.db2.gz DVKZFBUAMIEKBZ-FGTMMUONSA-N 2 2 288.435 3.117 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353946086 380249033 /nfs/dbraw/zinc/24/90/33/380249033.db2.gz DXVQVDSKUKSFEE-SUMWQHHRSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353946086 380249037 /nfs/dbraw/zinc/24/90/37/380249037.db2.gz DXVQVDSKUKSFEE-SUMWQHHRSA-N 2 2 290.476 3.122 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067116 380210380 /nfs/dbraw/zinc/21/03/80/380210380.db2.gz YCBYNKXLLVZVQG-KUHUBIRLSA-N 2 2 290.410 3.440 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067116 380210385 /nfs/dbraw/zinc/21/03/85/380210385.db2.gz YCBYNKXLLVZVQG-KUHUBIRLSA-N 2 2 290.410 3.440 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066792 380210795 /nfs/dbraw/zinc/21/07/95/380210795.db2.gz TYRLWUKAJQIPDN-ZLDLUXBVSA-N 2 2 296.361 3.033 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066792 380210802 /nfs/dbraw/zinc/21/08/02/380210802.db2.gz TYRLWUKAJQIPDN-ZLDLUXBVSA-N 2 2 296.361 3.033 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000643501140 380322386 /nfs/dbraw/zinc/32/23/86/380322386.db2.gz XGBALJHYIXHYMI-CHWSQXEVSA-N 2 2 298.377 3.389 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000643501320 380322603 /nfs/dbraw/zinc/32/26/03/380322603.db2.gz CVRPCCOBISOAMG-JQWIXIFHSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000643501322 380323144 /nfs/dbraw/zinc/32/31/44/380323144.db2.gz CVRPCCOBISOAMG-ZYHUDNBSSA-N 2 2 270.779 3.272 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500954 380323455 /nfs/dbraw/zinc/32/34/55/380323455.db2.gz KGOHBGRRBAAGLX-YPMHNXCESA-N 2 2 282.815 3.141 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000643502059 380325131 /nfs/dbraw/zinc/32/51/31/380325131.db2.gz WUEQKEJYUVRMOW-BBRMVZONSA-N 2 2 282.378 3.394 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643506501 380327931 /nfs/dbraw/zinc/32/79/31/380327931.db2.gz YZJLYQPPAFPYTK-ZDUSSCGKSA-N 2 2 282.840 3.219 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]CC[NH2+]C3CC3)c(C)c2c1 ZINC000643506700 380328701 /nfs/dbraw/zinc/32/87/01/380328701.db2.gz GBYROPHTUNRNOL-GFCCVEGCSA-N 2 2 288.391 3.152 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507338 380329606 /nfs/dbraw/zinc/32/96/06/380329606.db2.gz ZVFIETYONRCLLB-CYBMUJFWSA-N 2 2 285.218 3.322 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508880 380331786 /nfs/dbraw/zinc/33/17/86/380331786.db2.gz JYHUUHSJYZLCCC-HOCLYGCPSA-N 2 2 274.433 3.359 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)s1 ZINC000643511418 380333493 /nfs/dbraw/zinc/33/34/93/380333493.db2.gz IVYNDOFUCPDOAG-QMTHXVAHSA-N 2 2 281.469 3.318 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)OCC2CC2)c[nH+]1 ZINC000414502538 380279194 /nfs/dbraw/zinc/27/91/94/380279194.db2.gz JOMUNLQRIJXCJQ-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cc(F)cc(F)c2)c[nH+]1 ZINC000354219421 380368272 /nfs/dbraw/zinc/36/82/72/380368272.db2.gz VWGAYLCVLJZGGB-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414690043 380374748 /nfs/dbraw/zinc/37/47/48/380374748.db2.gz HKYFNMIWGYYDAR-GOEBONIOSA-N 2 2 276.424 3.206 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414690043 380374754 /nfs/dbraw/zinc/37/47/54/380374754.db2.gz HKYFNMIWGYYDAR-GOEBONIOSA-N 2 2 276.424 3.206 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000414688924 380375005 /nfs/dbraw/zinc/37/50/05/380375005.db2.gz KDULDYJVBLBPEE-MSOLQXFVSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000414688924 380375013 /nfs/dbraw/zinc/37/50/13/380375013.db2.gz KDULDYJVBLBPEE-MSOLQXFVSA-N 2 2 290.451 3.041 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414690042 380375427 /nfs/dbraw/zinc/37/54/27/380375427.db2.gz HKYFNMIWGYYDAR-GDBMZVCRSA-N 2 2 276.424 3.206 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414690042 380375433 /nfs/dbraw/zinc/37/54/33/380375433.db2.gz HKYFNMIWGYYDAR-GDBMZVCRSA-N 2 2 276.424 3.206 20 0 CGADLP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414704672 380381796 /nfs/dbraw/zinc/38/17/96/380381796.db2.gz KSFSKSNAHHCWBH-OCCSQVGLSA-N 2 2 295.496 3.388 20 0 CGADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414704672 380381800 /nfs/dbraw/zinc/38/18/00/380381800.db2.gz KSFSKSNAHHCWBH-OCCSQVGLSA-N 2 2 295.496 3.388 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000354289909 380387644 /nfs/dbraw/zinc/38/76/44/380387644.db2.gz NUNQMCHTJDGGNJ-RRFJBIMHSA-N 2 2 269.392 3.393 20 0 CGADLP COc1ccc(C2CC[NH+](CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000414748126 380390705 /nfs/dbraw/zinc/39/07/05/380390705.db2.gz WCBYBQUJCNASJF-UHFFFAOYSA-N 2 2 290.451 3.263 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c[nH+]1 ZINC000354145307 380343965 /nfs/dbraw/zinc/34/39/65/380343965.db2.gz AQPZLCKOUQPIEB-MRXNPFEDSA-N 3 2 289.467 3.034 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000414657496 380353623 /nfs/dbraw/zinc/35/36/23/380353623.db2.gz KCLRPXHHLSOYLV-WBMJQRKESA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000414657496 380353627 /nfs/dbraw/zinc/35/36/27/380353627.db2.gz KCLRPXHHLSOYLV-WBMJQRKESA-N 2 2 288.391 3.001 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538893 380355685 /nfs/dbraw/zinc/35/56/85/380355685.db2.gz ZCPZWSJSIKFCGB-LNLFQRSKSA-N 2 2 298.405 3.374 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1C(F)(F)F ZINC000643537943 380355804 /nfs/dbraw/zinc/35/58/04/380355804.db2.gz VGYLUYOFCKYNFU-VWYCJHECSA-N 2 2 290.304 3.056 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000414669847 380362232 /nfs/dbraw/zinc/36/22/32/380362232.db2.gz BZXNBZCVHQUVQJ-KGLIPLIRSA-N 2 2 252.427 3.258 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000414669847 380362233 /nfs/dbraw/zinc/36/22/33/380362233.db2.gz BZXNBZCVHQUVQJ-KGLIPLIRSA-N 2 2 252.427 3.258 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414821486 380432576 /nfs/dbraw/zinc/43/25/76/380432576.db2.gz CGOFWOPWDXQBHZ-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414824171 380434421 /nfs/dbraw/zinc/43/44/21/380434421.db2.gz AKDUNLKMOLHHRS-SFHVURJKSA-N 2 2 268.404 3.401 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c[nH+]1 ZINC000354454233 380444237 /nfs/dbraw/zinc/44/42/37/380444237.db2.gz BOOGVMSZJCZJRC-ZWKOTPCHSA-N 2 2 290.451 3.363 20 0 CGADLP CO[C@@]1(C)C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000354472035 380450977 /nfs/dbraw/zinc/45/09/77/380450977.db2.gz WVOOQXDJXGYFGE-WBVHZDCISA-N 2 2 276.424 3.116 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414805287 380418791 /nfs/dbraw/zinc/41/87/91/380418791.db2.gz AKJVPDGDBPJLSK-ZDUSSCGKSA-N 2 2 281.469 3.408 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414810337 380422352 /nfs/dbraw/zinc/42/23/52/380422352.db2.gz HWXQNQWZIUMILH-CYBMUJFWSA-N 2 2 258.768 3.086 20 0 CGADLP CC1([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000414932007 380494338 /nfs/dbraw/zinc/49/43/38/380494338.db2.gz CEOBJYPMSNPYTD-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000414935062 380496297 /nfs/dbraw/zinc/49/62/97/380496297.db2.gz VWKBOZGRKWBXOB-QGZVFWFLSA-N 2 2 283.419 3.103 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[NH2+][C@@H]3C)ccc2c1 ZINC000414937286 380496515 /nfs/dbraw/zinc/49/65/15/380496515.db2.gz DHKZNAWCNHZXST-ACJLOTCBSA-N 2 2 284.403 3.079 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc2ccccc2c1 ZINC000414940824 380498377 /nfs/dbraw/zinc/49/83/77/380498377.db2.gz KOSDFFRCFKJXJQ-CXAGYDPISA-N 2 2 286.444 3.182 20 0 CGADLP C[NH2+]Cc1ccccc1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000414868604 380467056 /nfs/dbraw/zinc/46/70/56/380467056.db2.gz OXVLVAZCRACKEI-UHFFFAOYSA-N 2 2 298.434 3.258 20 0 CGADLP C[NH+]1CCC(Nc2[nH+]cccc2OCc2ccccc2)CC1 ZINC000354525361 380471670 /nfs/dbraw/zinc/47/16/70/380471670.db2.gz GNRKOEUIAIWCBL-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000644900575 380542801 /nfs/dbraw/zinc/54/28/01/380542801.db2.gz YSCIZFKZFHFMNT-MRXNPFEDSA-N 2 2 270.380 3.196 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000644900575 380542806 /nfs/dbraw/zinc/54/28/06/380542806.db2.gz YSCIZFKZFHFMNT-MRXNPFEDSA-N 2 2 270.380 3.196 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355158006 380602862 /nfs/dbraw/zinc/60/28/62/380602862.db2.gz SBADMXHVFJIKHB-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000355158006 380602867 /nfs/dbraw/zinc/60/28/67/380602867.db2.gz SBADMXHVFJIKHB-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000417351340 380603908 /nfs/dbraw/zinc/60/39/08/380603908.db2.gz CIJDFRZDPMNFRV-CQSZACIVSA-N 2 2 264.800 3.011 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000417360943 380609819 /nfs/dbraw/zinc/60/98/19/380609819.db2.gz XUXZZZXASCYAOG-JKSUJKDBSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1ccncc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355579645 380716521 /nfs/dbraw/zinc/71/65/21/380716521.db2.gz GAAOWRIYEFUWEG-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1ccncc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355579645 380716525 /nfs/dbraw/zinc/71/65/25/380716525.db2.gz GAAOWRIYEFUWEG-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP C[C@@H]([NH2+]CCOCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000419244903 380787162 /nfs/dbraw/zinc/78/71/62/380787162.db2.gz KONXLXPLFMWCQH-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421328000 380877360 /nfs/dbraw/zinc/87/73/60/380877360.db2.gz KYVXPDHMGHHPGX-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000420420685 380852189 /nfs/dbraw/zinc/85/21/89/380852189.db2.gz YFAVCWZGEPHANK-VIFPVBQESA-N 2 2 295.839 3.381 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cc(F)ccc1F ZINC000420364727 380853024 /nfs/dbraw/zinc/85/30/24/380853024.db2.gz KPJPLLPCRJYREC-DZHLUBAWSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000360009704 381408016 /nfs/dbraw/zinc/40/80/16/381408016.db2.gz ATBYXCGSYRYNGW-IIAWOOMASA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000360009704 381408022 /nfs/dbraw/zinc/40/80/22/381408022.db2.gz ATBYXCGSYRYNGW-IIAWOOMASA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000359948724 381382556 /nfs/dbraw/zinc/38/25/56/381382556.db2.gz CVNHNAKPMFOLFE-KEYYUXOJSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000359948724 381382563 /nfs/dbraw/zinc/38/25/63/381382563.db2.gz CVNHNAKPMFOLFE-KEYYUXOJSA-N 2 2 276.424 3.075 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000360038724 381420167 /nfs/dbraw/zinc/42/01/67/381420167.db2.gz OFZHIIKQAGYNJT-VXGBXAGGSA-N 2 2 275.421 3.173 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289181797 197256355 /nfs/dbraw/zinc/25/63/55/197256355.db2.gz AJSPMOIUSKSCFS-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289181797 197256356 /nfs/dbraw/zinc/25/63/56/197256356.db2.gz AJSPMOIUSKSCFS-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000361482187 381766854 /nfs/dbraw/zinc/76/68/54/381766854.db2.gz VSFUMLPLPZYZRR-INIZCTEOSA-N 2 2 299.418 3.308 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361596636 381827561 /nfs/dbraw/zinc/82/75/61/381827561.db2.gz UMPUVDKCBLJRLA-CHWSQXEVSA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361596636 381827569 /nfs/dbraw/zinc/82/75/69/381827569.db2.gz UMPUVDKCBLJRLA-CHWSQXEVSA-N 2 2 289.345 3.326 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604438 542291553 /nfs/dbraw/zinc/29/15/53/542291553.db2.gz IYHISARURGGOSY-HEHGZKQESA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604438 542291555 /nfs/dbraw/zinc/29/15/55/542291555.db2.gz IYHISARURGGOSY-HEHGZKQESA-N 2 2 264.388 3.349 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ncccc2C)[nH+]1 ZINC000362340576 381947735 /nfs/dbraw/zinc/94/77/35/381947735.db2.gz LPNVWDFONRJSJA-MRXNPFEDSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ncccc2C)[nH+]1 ZINC000362340576 381947740 /nfs/dbraw/zinc/94/77/40/381947740.db2.gz LPNVWDFONRJSJA-MRXNPFEDSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCC[NH3+] ZINC000227744334 542296027 /nfs/dbraw/zinc/29/60/27/542296027.db2.gz ZVIZLJYJSZRKFB-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000227744334 542296031 /nfs/dbraw/zinc/29/60/31/542296031.db2.gz ZVIZLJYJSZRKFB-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000367594951 382351343 /nfs/dbraw/zinc/35/13/43/382351343.db2.gz MRLJIXTYAYOTMZ-OWQGQXMQSA-N 2 2 298.434 3.068 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251724088 542347596 /nfs/dbraw/zinc/34/75/96/542347596.db2.gz KCJBJEYBXXBJKX-TZMCWYRMSA-N 2 2 286.341 3.265 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251724088 542347600 /nfs/dbraw/zinc/34/76/00/542347600.db2.gz KCJBJEYBXXBJKX-TZMCWYRMSA-N 2 2 286.341 3.265 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253031259 542351931 /nfs/dbraw/zinc/35/19/31/542351931.db2.gz RVLMLHCFKJKQLH-SWLSCSKDSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253031259 542351934 /nfs/dbraw/zinc/35/19/34/542351934.db2.gz RVLMLHCFKJKQLH-SWLSCSKDSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000280900899 195022625 /nfs/dbraw/zinc/02/26/25/195022625.db2.gz OIYYZBMLLUVDBQ-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000280900899 195022627 /nfs/dbraw/zinc/02/26/27/195022627.db2.gz OIYYZBMLLUVDBQ-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP CC1(C)C([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000349200709 218822951 /nfs/dbraw/zinc/82/29/51/218822951.db2.gz ZHSRUXWWYNAALQ-UHFFFAOYSA-N 2 2 275.421 3.458 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751009 220305348 /nfs/dbraw/zinc/30/53/48/220305348.db2.gz ZNLQLGDHXNGKSZ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751009 220305350 /nfs/dbraw/zinc/30/53/50/220305350.db2.gz ZNLQLGDHXNGKSZ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751009 220305354 /nfs/dbraw/zinc/30/53/54/220305354.db2.gz ZNLQLGDHXNGKSZ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000353751009 220305359 /nfs/dbraw/zinc/30/53/59/220305359.db2.gz ZNLQLGDHXNGKSZ-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289181797 197256358 /nfs/dbraw/zinc/25/63/58/197256358.db2.gz AJSPMOIUSKSCFS-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289181797 197256359 /nfs/dbraw/zinc/25/63/59/197256359.db2.gz AJSPMOIUSKSCFS-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000353926476 220410785 /nfs/dbraw/zinc/41/07/85/220410785.db2.gz GLLRXJKBLRIOMR-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000159275205 285191930 /nfs/dbraw/zinc/19/19/30/285191930.db2.gz BYLABYRTEIHARX-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300307822 542411736 /nfs/dbraw/zinc/41/17/36/542411736.db2.gz GLUUUCVLFPANCN-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300307822 542411739 /nfs/dbraw/zinc/41/17/39/542411739.db2.gz GLUUUCVLFPANCN-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[NH+](C)C)c2ccccc12 ZINC000287209963 196805230 /nfs/dbraw/zinc/80/52/30/196805230.db2.gz WVKBZSWGABMDGG-ZDUSSCGKSA-N 2 2 272.392 3.061 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCCOC3)ccc2n1C1CC1 ZINC000338784305 542485338 /nfs/dbraw/zinc/48/53/38/542485338.db2.gz ILSVKZNFPMEPDT-CQSZACIVSA-N 2 2 299.418 3.202 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353439777 542556905 /nfs/dbraw/zinc/55/69/05/542556905.db2.gz ISWHQMYDSKSPDP-MSOLQXFVSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000353945862 542562137 /nfs/dbraw/zinc/56/21/37/542562137.db2.gz SUNDGTMBXBDEQQ-PNESKVBLSA-N 2 2 289.345 3.230 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1C ZINC000414055236 533444866 /nfs/dbraw/zinc/44/48/66/533444866.db2.gz CIFVBURFAVCEMW-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423232963 533412483 /nfs/dbraw/zinc/41/24/83/533412483.db2.gz CXDWSFVIKAPQGS-MLGOLLRUSA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423319005 533412494 /nfs/dbraw/zinc/41/24/94/533412494.db2.gz LIXKUDZQDWEXBV-HZGVNTEJSA-N 2 2 279.236 3.443 20 0 CGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(ccc3ccccc23)o1 ZINC000423445462 533531263 /nfs/dbraw/zinc/53/12/63/533531263.db2.gz XWJAQSOODZMYAP-GLCQIGPWSA-N 2 2 292.382 3.454 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CSc3ccccc32)C[N@@H+]1C1CC1 ZINC000449359169 533650454 /nfs/dbraw/zinc/65/04/54/533650454.db2.gz GKDMOZWCFSFKCT-HZSPNIEDSA-N 2 2 288.460 3.091 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CSc3ccccc32)C[N@H+]1C1CC1 ZINC000449359169 533650459 /nfs/dbraw/zinc/65/04/59/533650459.db2.gz GKDMOZWCFSFKCT-HZSPNIEDSA-N 2 2 288.460 3.091 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000449017699 533650595 /nfs/dbraw/zinc/65/05/95/533650595.db2.gz QEOKRFSMOJVDBN-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000449017699 533650606 /nfs/dbraw/zinc/65/06/06/533650606.db2.gz QEOKRFSMOJVDBN-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000388677730 542605857 /nfs/dbraw/zinc/60/58/57/542605857.db2.gz IEFSOCQOKKAVSB-KSTDHSDQSA-N 2 2 299.418 3.074 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229790 542606568 /nfs/dbraw/zinc/60/65/68/542606568.db2.gz IGTMHMXVZWJCEV-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229790 542606573 /nfs/dbraw/zinc/60/65/73/542606573.db2.gz IGTMHMXVZWJCEV-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 ZINC000389326274 542608685 /nfs/dbraw/zinc/60/86/85/542608685.db2.gz HBZQJLLPORSYLQ-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 ZINC000389326274 542608687 /nfs/dbraw/zinc/60/86/87/542608687.db2.gz HBZQJLLPORSYLQ-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C ZINC000389790470 542610080 /nfs/dbraw/zinc/61/00/80/542610080.db2.gz PLOWQDHFBFUHPP-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C ZINC000389790470 542610084 /nfs/dbraw/zinc/61/00/84/542610084.db2.gz PLOWQDHFBFUHPP-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000417356853 542645059 /nfs/dbraw/zinc/64/50/59/542645059.db2.gz QHZVJGOIPWLVCY-HIFPTAJRSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000052377210 392078607 /nfs/dbraw/zinc/07/86/07/392078607.db2.gz BYUWPHOTEPJMIN-QGZVFWFLSA-N 2 2 260.425 3.458 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069382332 392173054 /nfs/dbraw/zinc/17/30/54/392173054.db2.gz PPXVNGKRYIPXLS-KGLIPLIRSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(C)CC1 ZINC000090667345 392230160 /nfs/dbraw/zinc/23/01/60/392230160.db2.gz LJUJJGHKTWPKKI-GJZGRUSLSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000361747310 392310336 /nfs/dbraw/zinc/31/03/36/392310336.db2.gz ZISSDQVHOHSBOB-UKRRQHHQSA-N 2 2 298.430 3.499 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000361747310 392310339 /nfs/dbraw/zinc/31/03/39/392310339.db2.gz ZISSDQVHOHSBOB-UKRRQHHQSA-N 2 2 298.430 3.499 20 0 CGADLP CCCC[C@@H](CC)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000438112217 542661777 /nfs/dbraw/zinc/66/17/77/542661777.db2.gz YZDGLMRGKDWTKH-MSOLQXFVSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@@H](CC)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000438112217 542661778 /nfs/dbraw/zinc/66/17/78/542661778.db2.gz YZDGLMRGKDWTKH-MSOLQXFVSA-N 2 2 296.499 3.247 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459341090 542693784 /nfs/dbraw/zinc/69/37/84/542693784.db2.gz DWKZQQNAZXKCST-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459341090 542693788 /nfs/dbraw/zinc/69/37/88/542693788.db2.gz DWKZQQNAZXKCST-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459341088 542693878 /nfs/dbraw/zinc/69/38/78/542693878.db2.gz DWKZQQNAZXKCST-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459341088 542693881 /nfs/dbraw/zinc/69/38/81/542693881.db2.gz DWKZQQNAZXKCST-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000122792302 392422990 /nfs/dbraw/zinc/42/29/90/392422990.db2.gz ZDUOPKRPZOOHQZ-QIIPPGSGSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C[N@H+]1C1CC1 ZINC000122792302 392422996 /nfs/dbraw/zinc/42/29/96/392422996.db2.gz ZDUOPKRPZOOHQZ-QIIPPGSGSA-N 2 2 270.420 3.279 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000367067435 392467048 /nfs/dbraw/zinc/46/70/48/392467048.db2.gz RSTKHTCMCLDAAQ-DOTOQJQBSA-N 2 2 275.440 3.039 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)CCCn3cc[nH+]c3)ccc2n1 ZINC000290568415 392450801 /nfs/dbraw/zinc/45/08/01/392450801.db2.gz SWROJGQBDVZSJC-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)CCCn3cc[nH+]c3)ccc2n1 ZINC000290568415 392450805 /nfs/dbraw/zinc/45/08/05/392450805.db2.gz SWROJGQBDVZSJC-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000154596909 392535582 /nfs/dbraw/zinc/53/55/82/392535582.db2.gz XGQPWSAPBLRCQP-GOEBONIOSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000154596909 392535588 /nfs/dbraw/zinc/53/55/88/392535588.db2.gz XGQPWSAPBLRCQP-GOEBONIOSA-N 2 2 286.419 3.117 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC000154524206 392535657 /nfs/dbraw/zinc/53/56/57/392535657.db2.gz VRZYBUSISCNOKK-YPMHNXCESA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC000154524206 392535661 /nfs/dbraw/zinc/53/56/61/392535661.db2.gz VRZYBUSISCNOKK-YPMHNXCESA-N 2 2 252.427 3.110 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372983280 392654115 /nfs/dbraw/zinc/65/41/15/392654115.db2.gz SKAQHMUIGULWPM-ZFWWWQNUSA-N 2 2 284.407 3.182 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000647315810 392660401 /nfs/dbraw/zinc/66/04/01/392660401.db2.gz AOKVEPKCDUJDFI-LSDHHAIUSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000647315810 392660404 /nfs/dbraw/zinc/66/04/04/392660404.db2.gz AOKVEPKCDUJDFI-LSDHHAIUSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCOC(C)C)CC1 ZINC000375085784 392736407 /nfs/dbraw/zinc/73/64/07/392736407.db2.gz VHWXWBMWFDMLMO-UHFFFAOYSA-N 2 2 292.423 3.048 20 0 CGADLP CCC[N@H+](Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000647484418 392739014 /nfs/dbraw/zinc/73/90/14/392739014.db2.gz GQMKROQLCWFFHT-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP CCC[N@@H+](Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000647484418 392739016 /nfs/dbraw/zinc/73/90/16/392739016.db2.gz GQMKROQLCWFFHT-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP Clc1ccsc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554292 392769426 /nfs/dbraw/zinc/76/94/26/392769426.db2.gz WDXFEIXATUMYRK-LBPRGKRZSA-N 2 2 270.829 3.166 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647549407 392762773 /nfs/dbraw/zinc/76/27/73/392762773.db2.gz YGOTVYOIEFCKDC-KCQAQPDRSA-N 2 2 278.465 3.447 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334252661 392714528 /nfs/dbraw/zinc/71/45/28/392714528.db2.gz LKLWPETXQRCKJO-CQSZACIVSA-N 2 2 261.413 3.055 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334252661 392714531 /nfs/dbraw/zinc/71/45/31/392714531.db2.gz LKLWPETXQRCKJO-CQSZACIVSA-N 2 2 261.413 3.055 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553656 392766987 /nfs/dbraw/zinc/76/69/87/392766987.db2.gz GJPYHYMZQZKOMA-MRXNPFEDSA-N 2 2 258.409 3.013 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(C)c3C)CC2)c1 ZINC000510540728 392803085 /nfs/dbraw/zinc/80/30/85/392803085.db2.gz WPUZTNBHMUQOMC-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510682209 392808105 /nfs/dbraw/zinc/80/81/05/392808105.db2.gz CNXIWPMGETWCTJ-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510682209 392808110 /nfs/dbraw/zinc/80/81/10/392808110.db2.gz CNXIWPMGETWCTJ-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP Fc1cccc(F)c1C[N@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884518 392825098 /nfs/dbraw/zinc/82/50/98/392825098.db2.gz YSHBCJHGOCCUGH-ZDUSSCGKSA-N 2 2 294.389 3.319 20 0 CGADLP Fc1cccc(F)c1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884518 392825107 /nfs/dbraw/zinc/82/51/07/392825107.db2.gz YSHBCJHGOCCUGH-ZDUSSCGKSA-N 2 2 294.389 3.319 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(C)ccn1)CCC2 ZINC000375839587 392829770 /nfs/dbraw/zinc/82/97/70/392829770.db2.gz NFMDGSWPTWUNDB-GJZGRUSLSA-N 2 2 284.407 3.123 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCC[C@H]2C2CCC2)[nH+]1 ZINC000648077787 392909112 /nfs/dbraw/zinc/90/91/12/392909112.db2.gz IDXKEYRPXCFCRX-INIZCTEOSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCC[C@H]2C2CCC2)[nH+]1 ZINC000648077787 392909118 /nfs/dbraw/zinc/90/91/18/392909118.db2.gz IDXKEYRPXCFCRX-INIZCTEOSA-N 2 2 269.392 3.489 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1scnc1C1CC1 ZINC000494939695 542721504 /nfs/dbraw/zinc/72/15/04/542721504.db2.gz REAOUECYUJFTJI-KGLIPLIRSA-N 2 2 291.464 3.079 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1scnc1C1CC1 ZINC000494939695 542721510 /nfs/dbraw/zinc/72/15/10/542721510.db2.gz REAOUECYUJFTJI-KGLIPLIRSA-N 2 2 291.464 3.079 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1C1CC1 ZINC000494939695 542721513 /nfs/dbraw/zinc/72/15/13/542721513.db2.gz REAOUECYUJFTJI-KGLIPLIRSA-N 2 2 291.464 3.079 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C1CC1 ZINC000494939695 542721518 /nfs/dbraw/zinc/72/15/18/542721518.db2.gz REAOUECYUJFTJI-KGLIPLIRSA-N 2 2 291.464 3.079 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000513761755 542733274 /nfs/dbraw/zinc/73/32/74/542733274.db2.gz OFWZDBAENWSNIK-GVDBMIGSSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000515343623 542735314 /nfs/dbraw/zinc/73/53/14/542735314.db2.gz SACMSQISZRJKDS-VGWMRTNUSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000515343623 542735316 /nfs/dbraw/zinc/73/53/16/542735316.db2.gz SACMSQISZRJKDS-VGWMRTNUSA-N 2 2 252.446 3.274 20 0 CGADLP CCn1c2ccccc2[nH+]c1CCNc1cc(C)[nH+]c(C)n1 ZINC000195217719 392962569 /nfs/dbraw/zinc/96/25/69/392962569.db2.gz GOOYCZLENXYBNR-UHFFFAOYSA-N 2 2 295.390 3.118 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000531939204 542746952 /nfs/dbraw/zinc/74/69/52/542746952.db2.gz SPBBFLQUNBMIAQ-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000462747911 392968740 /nfs/dbraw/zinc/96/87/40/392968740.db2.gz YDPOHYWOIDUSEY-WCVJEAGWSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000462747911 392968744 /nfs/dbraw/zinc/96/87/44/392968744.db2.gz YDPOHYWOIDUSEY-WCVJEAGWSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000573650231 542762825 /nfs/dbraw/zinc/76/28/25/542762825.db2.gz BNAZDSAUKQDWCP-OAHLLOKOSA-N 2 2 285.435 3.401 20 0 CGADLP CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000411963095 392990785 /nfs/dbraw/zinc/99/07/85/392990785.db2.gz BWQCGVYBPPVGMY-RDTXWAMCSA-N 2 2 299.418 3.166 20 0 CGADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536337 393001567 /nfs/dbraw/zinc/00/15/67/393001567.db2.gz IMLOYAIKYNFWDO-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536337 393001571 /nfs/dbraw/zinc/00/15/71/393001571.db2.gz IMLOYAIKYNFWDO-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000342720036 393004884 /nfs/dbraw/zinc/00/48/84/393004884.db2.gz FSQDGSIUNIZRHM-ZOWXZIJZSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000342720036 393004891 /nfs/dbraw/zinc/00/48/91/393004891.db2.gz FSQDGSIUNIZRHM-ZOWXZIJZSA-N 2 2 266.816 3.473 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@H]3C)c[nH+]c12 ZINC000466421305 393029106 /nfs/dbraw/zinc/02/91/06/393029106.db2.gz DAEXCGOIMUSUQG-OCCSQVGLSA-N 2 2 257.381 3.169 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000249068027 393100754 /nfs/dbraw/zinc/10/07/54/393100754.db2.gz JQGSYBPJULSRKM-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000249068027 393100765 /nfs/dbraw/zinc/10/07/65/393100765.db2.gz JQGSYBPJULSRKM-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467983 393105558 /nfs/dbraw/zinc/10/55/58/393105558.db2.gz SBUFHMLAZRFTRH-XMTFNYHQSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467983 393105562 /nfs/dbraw/zinc/10/55/62/393105562.db2.gz SBUFHMLAZRFTRH-XMTFNYHQSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347467983 393105567 /nfs/dbraw/zinc/10/55/67/393105567.db2.gz SBUFHMLAZRFTRH-XMTFNYHQSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347467983 393105572 /nfs/dbraw/zinc/10/55/72/393105572.db2.gz SBUFHMLAZRFTRH-XMTFNYHQSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414959575 393066506 /nfs/dbraw/zinc/06/65/06/393066506.db2.gz SPNXXOLYXYASJK-KMFMINBZSA-N 2 2 258.409 3.042 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000546691843 393067779 /nfs/dbraw/zinc/06/77/79/393067779.db2.gz QEWMAOVVJRLWLQ-LVQVYYBASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000546691843 393067786 /nfs/dbraw/zinc/06/77/86/393067786.db2.gz QEWMAOVVJRLWLQ-LVQVYYBASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348078870 393112552 /nfs/dbraw/zinc/11/25/52/393112552.db2.gz FMQNALSUPMAJQG-GJZGRUSLSA-N 2 2 275.440 3.176 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415055170 393116589 /nfs/dbraw/zinc/11/65/89/393116589.db2.gz RDWKWJDEJKYMAE-WWAPKCSDSA-N 2 2 296.389 3.184 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415064669 393124084 /nfs/dbraw/zinc/12/40/84/393124084.db2.gz DJPZORQGTCNEIJ-MRXNPFEDSA-N 2 2 276.424 3.097 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)o1 ZINC000415064036 393124714 /nfs/dbraw/zinc/12/47/14/393124714.db2.gz BMJDBOKESNGRTH-CYBMUJFWSA-N 2 2 288.366 3.317 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1sc(C)nc1C ZINC000415069373 393128381 /nfs/dbraw/zinc/12/83/81/393128381.db2.gz SHLGFCYICPKJBL-HNNXBMFYSA-N 2 2 289.448 3.112 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415087189 393138558 /nfs/dbraw/zinc/13/85/58/393138558.db2.gz KRMQHXIRFKKNBP-MOPGFXCFSA-N 2 2 280.415 3.312 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415088399 393140555 /nfs/dbraw/zinc/14/05/55/393140555.db2.gz XJJLDIICOBLUGL-SRVKXCTJSA-N 2 2 281.469 3.089 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+](C)CC[NH3+])s2)cc1 ZINC000415108698 393147039 /nfs/dbraw/zinc/14/70/39/393147039.db2.gz MTNJPRVIKFWRLC-UHFFFAOYSA-N 2 2 260.406 3.114 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+](C)CC[NH3+])s2)cc1 ZINC000415108698 393147041 /nfs/dbraw/zinc/14/70/41/393147041.db2.gz MTNJPRVIKFWRLC-UHFFFAOYSA-N 2 2 260.406 3.114 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415114088 393149071 /nfs/dbraw/zinc/14/90/71/393149071.db2.gz VFBUKHHFZKERRA-UHFFFAOYSA-N 2 2 292.329 3.148 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000415114088 393149077 /nfs/dbraw/zinc/14/90/77/393149077.db2.gz VFBUKHHFZKERRA-UHFFFAOYSA-N 2 2 292.329 3.148 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179225 393259433 /nfs/dbraw/zinc/25/94/33/393259433.db2.gz DAFBSNTZALDSGC-HOTGVXAUSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179225 393259441 /nfs/dbraw/zinc/25/94/41/393259441.db2.gz DAFBSNTZALDSGC-HOTGVXAUSA-N 2 2 273.424 3.172 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262921 393421161 /nfs/dbraw/zinc/42/11/61/393421161.db2.gz YOJKZZHLWDLRRZ-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000356386973 393434077 /nfs/dbraw/zinc/43/40/77/393434077.db2.gz FZYMSBADYXADIU-HJCTWCACSA-N 2 2 281.403 3.369 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000356386973 393434080 /nfs/dbraw/zinc/43/40/80/393434080.db2.gz FZYMSBADYXADIU-HJCTWCACSA-N 2 2 281.403 3.369 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000420275866 393447148 /nfs/dbraw/zinc/44/71/48/393447148.db2.gz HECSWKCVEHDYFT-RISCZKNCSA-N 2 2 273.355 3.303 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC1(C)C ZINC000487265800 393450534 /nfs/dbraw/zinc/45/05/34/393450534.db2.gz OJSFHHGLJITUDT-YDHLFZDLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC1(C)C ZINC000487265800 393450538 /nfs/dbraw/zinc/45/05/38/393450538.db2.gz OJSFHHGLJITUDT-YDHLFZDLSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)CCC2 ZINC000487277899 393451458 /nfs/dbraw/zinc/45/14/58/393451458.db2.gz MZNNMKFLTIZGCJ-IHRRRGAJSA-N 2 2 261.413 3.093 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000420362505 393475185 /nfs/dbraw/zinc/47/51/85/393475185.db2.gz AUBBFCNEPFDHBZ-PBHICJAKSA-N 2 2 254.377 3.021 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCOc1ccccc1 ZINC000429824235 393504621 /nfs/dbraw/zinc/50/46/21/393504621.db2.gz BIIHZQLYKBSTSP-UHFFFAOYSA-N 2 2 284.403 3.333 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCOc1ccccc1 ZINC000429824235 393504628 /nfs/dbraw/zinc/50/46/28/393504628.db2.gz BIIHZQLYKBSTSP-UHFFFAOYSA-N 2 2 284.403 3.333 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488448958 393518851 /nfs/dbraw/zinc/51/88/51/393518851.db2.gz MLWCKUFDYJYZCG-QLFBSQMISA-N 2 2 286.529 3.473 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CS1 ZINC000488452275 393519376 /nfs/dbraw/zinc/51/93/76/393519376.db2.gz UXMWAJTWMBZLGL-IKGGRYGDSA-N 2 2 296.524 3.371 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CS1 ZINC000488452275 393519377 /nfs/dbraw/zinc/51/93/77/393519377.db2.gz UXMWAJTWMBZLGL-IKGGRYGDSA-N 2 2 296.524 3.371 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488558298 393538660 /nfs/dbraw/zinc/53/86/60/393538660.db2.gz KQSFVAUDLBGGLA-NXHRZFHOSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488558298 393538662 /nfs/dbraw/zinc/53/86/62/393538662.db2.gz KQSFVAUDLBGGLA-NXHRZFHOSA-N 2 2 272.436 3.287 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430556225 393574319 /nfs/dbraw/zinc/57/43/19/393574319.db2.gz KIZDELJMGGDSJX-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430556225 393574323 /nfs/dbraw/zinc/57/43/23/393574323.db2.gz KIZDELJMGGDSJX-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430573907 393578260 /nfs/dbraw/zinc/57/82/60/393578260.db2.gz ROPMTKGWPAPMGI-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430573907 393578265 /nfs/dbraw/zinc/57/82/65/393578265.db2.gz ROPMTKGWPAPMGI-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000666741067 542812008 /nfs/dbraw/zinc/81/20/08/542812008.db2.gz CBZXETKUHWUYAQ-NSHDSACASA-N 2 2 292.757 3.014 20 0 CGADLP CC(C)(C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000666787612 542816366 /nfs/dbraw/zinc/81/63/66/542816366.db2.gz NXJJHJKGSKZVHX-KRWDZBQOSA-N 2 2 268.404 3.254 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666799264 542817249 /nfs/dbraw/zinc/81/72/49/542817249.db2.gz ORFUNUGSTYINEO-CYBMUJFWSA-N 2 2 291.826 3.351 20 0 CGADLP CC[C@H](C[NH2+]CCSCc1ccccc1)[NH+]1CCCC1 ZINC000430748150 393593474 /nfs/dbraw/zinc/59/34/74/393593474.db2.gz CDVGOXLPFAYUBE-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430610729 393581233 /nfs/dbraw/zinc/58/12/33/393581233.db2.gz LOWNQOCIJDDZRL-QGZVFWFLSA-N 2 2 268.404 3.066 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430610729 393581238 /nfs/dbraw/zinc/58/12/38/393581238.db2.gz LOWNQOCIJDDZRL-QGZVFWFLSA-N 2 2 268.404 3.066 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000490059849 393629123 /nfs/dbraw/zinc/62/91/23/393629123.db2.gz MEZHKGZDAYSMDY-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000423024838 393649222 /nfs/dbraw/zinc/64/92/22/393649222.db2.gz MUMPPUYGPONXEG-DOTOQJQBSA-N 2 2 258.409 3.139 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186065 393653902 /nfs/dbraw/zinc/65/39/02/393653902.db2.gz JYHOEUSQXAEBTO-WMLDXEAASA-N 2 2 288.435 3.365 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423422303 393666658 /nfs/dbraw/zinc/66/66/58/393666658.db2.gz KJINZRNIWVLPCI-SZMVWBNQSA-N 2 2 290.426 3.381 20 0 CGADLP CC1(C)CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000433144994 393691034 /nfs/dbraw/zinc/69/10/34/393691034.db2.gz FAEMIAROKHMMQV-UHFFFAOYSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434783905 393713947 /nfs/dbraw/zinc/71/39/47/393713947.db2.gz BWVNMWDREMFIDK-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434783905 393713951 /nfs/dbraw/zinc/71/39/51/393713951.db2.gz BWVNMWDREMFIDK-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000494405200 393775805 /nfs/dbraw/zinc/77/58/05/393775805.db2.gz MEFZHHWLLSWGHJ-CYBMUJFWSA-N 2 2 275.440 3.392 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497386077 393780672 /nfs/dbraw/zinc/78/06/72/393780672.db2.gz MQCPWNNFPQANMZ-DLBZAZTESA-N 2 2 287.451 3.465 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[NH+](C)C ZINC000502269169 393871794 /nfs/dbraw/zinc/87/17/94/393871794.db2.gz AQYMVAUVMXNDJT-ZJIFWQFVSA-N 2 2 252.446 3.131 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)Cc2ccccc2C1 ZINC000502279887 393872157 /nfs/dbraw/zinc/87/21/57/393872157.db2.gz VVTRDVVPHWIDHK-QRVBRYPASA-N 2 2 298.474 3.254 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502288802 393872786 /nfs/dbraw/zinc/87/27/86/393872786.db2.gz QWHSEIMUJQUWKI-YLFCFFPRSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502288802 393872790 /nfs/dbraw/zinc/87/27/90/393872790.db2.gz QWHSEIMUJQUWKI-YLFCFFPRSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000502594672 393881005 /nfs/dbraw/zinc/88/10/05/393881005.db2.gz VKYOOJNQBFPWNP-SJLPKXTDSA-N 2 2 283.419 3.497 20 0 CGADLP CC[C@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000502594674 393881094 /nfs/dbraw/zinc/88/10/94/393881094.db2.gz VKYOOJNQBFPWNP-WMZOPIPTSA-N 2 2 283.419 3.497 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449554488 393899438 /nfs/dbraw/zinc/89/94/38/393899438.db2.gz BOCACXMQVIUTFY-XIRDDKMYSA-N 2 2 260.425 3.171 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000503930899 393909143 /nfs/dbraw/zinc/90/91/43/393909143.db2.gz UEPLAKVIHGRXJK-OUCADQQQSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000503930899 393909147 /nfs/dbraw/zinc/90/91/47/393909147.db2.gz UEPLAKVIHGRXJK-OUCADQQQSA-N 2 2 264.438 3.009 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000453080377 394163991 /nfs/dbraw/zinc/16/39/91/394163991.db2.gz LMWCQKGTOIBWDU-HOTGVXAUSA-N 2 2 294.487 3.310 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000453093275 394168781 /nfs/dbraw/zinc/16/87/81/394168781.db2.gz TYMFDRCVWCENAU-MRXNPFEDSA-N 2 2 271.408 3.435 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccsc1 ZINC000453275533 394223193 /nfs/dbraw/zinc/22/31/93/394223193.db2.gz WXDMECXWTGSXFW-CVEARBPZSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccsc1 ZINC000453275533 394223197 /nfs/dbraw/zinc/22/31/97/394223197.db2.gz WXDMECXWTGSXFW-CVEARBPZSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccccc2)n1C ZINC000667492325 542876599 /nfs/dbraw/zinc/87/65/99/542876599.db2.gz DBHSEPCBNRFNKL-INIZCTEOSA-N 2 2 255.365 3.066 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccccc2)n1C ZINC000667492325 542876602 /nfs/dbraw/zinc/87/66/02/542876602.db2.gz DBHSEPCBNRFNKL-INIZCTEOSA-N 2 2 255.365 3.066 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000667563636 542890472 /nfs/dbraw/zinc/89/04/72/542890472.db2.gz KIDXLFFIJNIGOZ-UHFFFAOYSA-N 2 2 299.418 3.427 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)n1C ZINC000667568160 542891808 /nfs/dbraw/zinc/89/18/08/542891808.db2.gz VQLYPQBKDWBLPJ-GOSISDBHSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)n1C ZINC000667568160 542891810 /nfs/dbraw/zinc/89/18/10/542891810.db2.gz VQLYPQBKDWBLPJ-GOSISDBHSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccccc2)CC(C)C)n1C ZINC000667521540 542885043 /nfs/dbraw/zinc/88/50/43/542885043.db2.gz ACBOZDCSRBAAMF-UHFFFAOYSA-N 2 2 285.435 3.429 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CCc2ccccc2)CC(C)C)n1C ZINC000667521540 542885044 /nfs/dbraw/zinc/88/50/44/542885044.db2.gz ACBOZDCSRBAAMF-UHFFFAOYSA-N 2 2 285.435 3.429 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@]3(CC=CCC3)C1)CCC2 ZINC000667642325 542902102 /nfs/dbraw/zinc/90/21/02/542902102.db2.gz XGBJLWPROUBYBC-QGZVFWFLSA-N 2 2 271.408 3.152 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658675 542909971 /nfs/dbraw/zinc/90/99/71/542909971.db2.gz NARKWVZQBOTWMM-HIFRSBDPSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658675 542909973 /nfs/dbraw/zinc/90/99/73/542909973.db2.gz NARKWVZQBOTWMM-HIFRSBDPSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H](c2ccco2)C1 ZINC000667683048 542915863 /nfs/dbraw/zinc/91/58/63/542915863.db2.gz CZXCUGLKXMUHPW-DZGCQCFKSA-N 2 2 285.391 3.396 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H](c2ccco2)C1 ZINC000667683048 542915866 /nfs/dbraw/zinc/91/58/66/542915866.db2.gz CZXCUGLKXMUHPW-DZGCQCFKSA-N 2 2 285.391 3.396 20 0 CGADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688446 542916350 /nfs/dbraw/zinc/91/63/50/542916350.db2.gz SDQZRPZDLJHEGL-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688446 542916352 /nfs/dbraw/zinc/91/63/52/542916352.db2.gz SDQZRPZDLJHEGL-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000667813604 542932067 /nfs/dbraw/zinc/93/20/67/542932067.db2.gz UJHSAFYDLWXTNJ-RDBSUJKOSA-N 2 2 269.392 3.274 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]2C ZINC000667963039 542950368 /nfs/dbraw/zinc/95/03/68/542950368.db2.gz AERFQOJNNBAKJS-OLZOCXBDSA-N 2 2 299.418 3.245 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c(C)n1C)[C@H]2C ZINC000667963039 542950372 /nfs/dbraw/zinc/95/03/72/542950372.db2.gz AERFQOJNNBAKJS-OLZOCXBDSA-N 2 2 299.418 3.245 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)n1C ZINC000668091685 542968707 /nfs/dbraw/zinc/96/87/07/542968707.db2.gz MHNGDJAGFSHWRN-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccc(C)cc3C)C2)n1C ZINC000668091685 542968709 /nfs/dbraw/zinc/96/87/09/542968709.db2.gz MHNGDJAGFSHWRN-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccncc2s1 ZINC000668168238 542979698 /nfs/dbraw/zinc/97/96/98/542979698.db2.gz RQBDVYWXXCAISM-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccncc2s1 ZINC000668168238 542979701 /nfs/dbraw/zinc/97/97/01/542979701.db2.gz RQBDVYWXXCAISM-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459411 543015042 /nfs/dbraw/zinc/01/50/42/543015042.db2.gz UCCRXKOZYXNYLT-GOEBONIOSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459411 543015044 /nfs/dbraw/zinc/01/50/44/543015044.db2.gz UCCRXKOZYXNYLT-GOEBONIOSA-N 2 2 290.451 3.176 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H](C3CCCCC3)C1)CCC2 ZINC000668535609 543024860 /nfs/dbraw/zinc/02/48/60/543024860.db2.gz ITMOLFNWTKNGSY-HNNXBMFYSA-N 2 2 273.424 3.232 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H](C3CCCCC3)C1)CCC2 ZINC000668535609 543024862 /nfs/dbraw/zinc/02/48/62/543024862.db2.gz ITMOLFNWTKNGSY-HNNXBMFYSA-N 2 2 273.424 3.232 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC2(CCC2)C1 ZINC000668616200 543036187 /nfs/dbraw/zinc/03/61/87/543036187.db2.gz ILKSULZYQVRQCA-CQSZACIVSA-N 2 2 250.430 3.029 20 0 CGADLP COc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1F ZINC000669707253 543121521 /nfs/dbraw/zinc/12/15/21/543121521.db2.gz ZQSUHSRJQQSMNQ-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1F ZINC000669707253 543121523 /nfs/dbraw/zinc/12/15/23/543121523.db2.gz ZQSUHSRJQQSMNQ-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000650739978 397904502 /nfs/dbraw/zinc/90/45/02/397904502.db2.gz DCBCBAILUJQTRI-ZBFHGGJFSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000674677657 543293490 /nfs/dbraw/zinc/29/34/90/543293490.db2.gz QFUNZGADVFTWIK-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000674677657 543293492 /nfs/dbraw/zinc/29/34/92/543293492.db2.gz QFUNZGADVFTWIK-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000675639602 543350480 /nfs/dbraw/zinc/35/04/80/543350480.db2.gz QPZUQYHYKNLXSL-OAHLLOKOSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000675639602 543350482 /nfs/dbraw/zinc/35/04/82/543350482.db2.gz QPZUQYHYKNLXSL-OAHLLOKOSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675767401 543362259 /nfs/dbraw/zinc/36/22/59/543362259.db2.gz TZSZYFAHLDJCDK-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675767401 543362260 /nfs/dbraw/zinc/36/22/60/543362260.db2.gz TZSZYFAHLDJCDK-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675833195 543367979 /nfs/dbraw/zinc/36/79/79/543367979.db2.gz GZUFOSFRPQSUDZ-YJBOKZPZSA-N 2 2 284.447 3.483 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675833195 543367981 /nfs/dbraw/zinc/36/79/81/543367981.db2.gz GZUFOSFRPQSUDZ-YJBOKZPZSA-N 2 2 284.447 3.483 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000677519859 543453403 /nfs/dbraw/zinc/45/34/03/543453403.db2.gz PNDGZHMQKXHRNO-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000677519859 543453404 /nfs/dbraw/zinc/45/34/04/543453404.db2.gz PNDGZHMQKXHRNO-UGUYLWEFSA-N 2 2 252.446 3.131 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677749376 543463139 /nfs/dbraw/zinc/46/31/39/543463139.db2.gz ZJRPDLDEBIUIIX-KRWDZBQOSA-N 2 2 298.430 3.465 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677749376 543463141 /nfs/dbraw/zinc/46/31/41/543463141.db2.gz ZJRPDLDEBIUIIX-KRWDZBQOSA-N 2 2 298.430 3.465 20 0 CGADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235503 543498015 /nfs/dbraw/zinc/49/80/15/543498015.db2.gz VDGBZTHXAFLTCE-DANOYGIBSA-N 2 2 297.402 3.242 20 0 CGADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235503 543498018 /nfs/dbraw/zinc/49/80/18/543498018.db2.gz VDGBZTHXAFLTCE-DANOYGIBSA-N 2 2 297.402 3.242 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234243 543498926 /nfs/dbraw/zinc/49/89/26/543498926.db2.gz BDCQPEWKJQFNLW-JKSUJKDBSA-N 2 2 297.402 3.086 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234243 543498927 /nfs/dbraw/zinc/49/89/27/543498927.db2.gz BDCQPEWKJQFNLW-JKSUJKDBSA-N 2 2 297.402 3.086 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678597687 543540613 /nfs/dbraw/zinc/54/06/13/543540613.db2.gz HERMZYWTMLSZTR-XYPHTWIQSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000678597687 543540615 /nfs/dbraw/zinc/54/06/15/543540615.db2.gz HERMZYWTMLSZTR-XYPHTWIQSA-N 2 2 258.409 3.068 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000556203615 289377170 /nfs/dbraw/zinc/37/71/70/289377170.db2.gz UJZHJLSDEUEULK-YXWQFLTLSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000556203615 289377171 /nfs/dbraw/zinc/37/71/71/289377171.db2.gz UJZHJLSDEUEULK-YXWQFLTLSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422953027 292374517 /nfs/dbraw/zinc/37/45/17/292374517.db2.gz DTSLWPKGDFJHEM-SQNIBIBYSA-N 2 2 294.398 3.471 20 0 CGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423076188 286893752 /nfs/dbraw/zinc/89/37/52/286893752.db2.gz YKBLQUQXVVBVEY-RDJZCZTQSA-N 2 2 294.483 3.236 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2nc(C)c(C)s2)CC1 ZINC000081671637 287075987 /nfs/dbraw/zinc/07/59/87/287075987.db2.gz RARMGBFMQVIZPL-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2nc(C)c(C)s2)CC1 ZINC000081671637 287075988 /nfs/dbraw/zinc/07/59/88/287075988.db2.gz RARMGBFMQVIZPL-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000081557824 165166290 /nfs/dbraw/zinc/16/62/90/165166290.db2.gz SWEBTIHGOMNNOF-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000081557824 165166293 /nfs/dbraw/zinc/16/62/93/165166293.db2.gz SWEBTIHGOMNNOF-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000084946786 165176819 /nfs/dbraw/zinc/17/68/19/165176819.db2.gz ABRLYIMACMJGQW-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000084946786 165176821 /nfs/dbraw/zinc/17/68/21/165176821.db2.gz ABRLYIMACMJGQW-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000084863997 165176839 /nfs/dbraw/zinc/17/68/39/165176839.db2.gz BAXIRGZSDXMNDZ-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000084863997 165176841 /nfs/dbraw/zinc/17/68/41/165176841.db2.gz BAXIRGZSDXMNDZ-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085127867 165178782 /nfs/dbraw/zinc/17/87/82/165178782.db2.gz BTRMJVRQMUZKQO-NEPJUHHUSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1nccs1 ZINC000091725135 165267366 /nfs/dbraw/zinc/26/73/66/165267366.db2.gz WBTQHDYMBUUYGH-LLVKDONJSA-N 2 2 293.411 3.195 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000430702652 287107969 /nfs/dbraw/zinc/10/79/69/287107969.db2.gz ZNJBFWRVIDNDIN-JBXGNFEISA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000430702652 287107972 /nfs/dbraw/zinc/10/79/72/287107972.db2.gz ZNJBFWRVIDNDIN-JBXGNFEISA-N 2 2 264.457 3.416 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648712 165306666 /nfs/dbraw/zinc/30/66/66/165306666.db2.gz XDYGFGFVNRDDNQ-XJKSGUPXSA-N 2 2 285.391 3.437 20 0 CGADLP COc1c(C)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000092648546 165307442 /nfs/dbraw/zinc/30/74/42/165307442.db2.gz OQGFVPNEAIHBDZ-UHFFFAOYSA-N 2 2 299.418 3.346 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccnc1 ZINC000092741138 165313815 /nfs/dbraw/zinc/31/38/15/165313815.db2.gz VECMYPBKSLXMEX-ZDUSSCGKSA-N 2 2 280.375 3.241 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000094797568 165391669 /nfs/dbraw/zinc/39/16/69/165391669.db2.gz DTSOPNDMEAKMOR-YOEHRIQHSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200276 287129265 /nfs/dbraw/zinc/12/92/65/287129265.db2.gz ZMFNYWNWXAVTTP-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200276 287129268 /nfs/dbraw/zinc/12/92/68/287129268.db2.gz ZMFNYWNWXAVTTP-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438800 287137710 /nfs/dbraw/zinc/13/77/10/287137710.db2.gz VYIDMULHKHXITJ-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438800 287137711 /nfs/dbraw/zinc/13/77/11/287137711.db2.gz VYIDMULHKHXITJ-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438800 287137712 /nfs/dbraw/zinc/13/77/12/287137712.db2.gz VYIDMULHKHXITJ-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438800 287137713 /nfs/dbraw/zinc/13/77/13/287137713.db2.gz VYIDMULHKHXITJ-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000284276791 196018647 /nfs/dbraw/zinc/01/86/47/196018647.db2.gz JQDCLLCUVIFUDR-HNNXBMFYSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572492 287234816 /nfs/dbraw/zinc/23/48/16/287234816.db2.gz BPENKOXEEQLASV-BXKDBHETSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572492 287234818 /nfs/dbraw/zinc/23/48/18/287234818.db2.gz BPENKOXEEQLASV-BXKDBHETSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000020123989 171005277 /nfs/dbraw/zinc/00/52/77/171005277.db2.gz BNFOPCHUPMBALA-NSHDSACASA-N 2 2 252.789 3.085 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C)cc1 ZINC000020506192 171228352 /nfs/dbraw/zinc/22/83/52/171228352.db2.gz YUAPRGIWZXLQPF-INIZCTEOSA-N 2 2 257.381 3.323 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000035258955 172091105 /nfs/dbraw/zinc/09/11/05/172091105.db2.gz NFEGQTUSPYGAEX-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@@H+]1C ZINC000285144909 196206728 /nfs/dbraw/zinc/20/67/28/196206728.db2.gz TVBDCYZGEGFBAO-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@H+]1C ZINC000285144909 196206730 /nfs/dbraw/zinc/20/67/30/196206730.db2.gz TVBDCYZGEGFBAO-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144909 196206731 /nfs/dbraw/zinc/20/67/31/196206731.db2.gz TVBDCYZGEGFBAO-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144909 196206733 /nfs/dbraw/zinc/20/67/33/196206733.db2.gz TVBDCYZGEGFBAO-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126532852 287266812 /nfs/dbraw/zinc/26/68/12/287266812.db2.gz SYDUCLREMCKYCM-DYVFJYSZSA-N 2 2 292.854 3.271 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000037248589 173061358 /nfs/dbraw/zinc/06/13/58/173061358.db2.gz JWBNTGQCUDRCAS-UHFFFAOYSA-N 2 2 273.207 3.177 20 0 CGADLP c1cn(Cc2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)c[nH+]1 ZINC000128928242 287320693 /nfs/dbraw/zinc/32/06/93/287320693.db2.gz NJTNGRKTDBUZBI-INIZCTEOSA-N 2 2 281.403 3.377 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CCCC1 ZINC000076901187 177129317 /nfs/dbraw/zinc/12/93/17/177129317.db2.gz AJHUBRVSJYKKJF-UHFFFAOYSA-N 2 2 257.381 3.038 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1CC[NH3+] ZINC000404281597 416552694 /nfs/dbraw/zinc/55/26/94/416552694.db2.gz ASQHXTXHVCLZPM-QWHCGFSZSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1CC[NH3+] ZINC000404281597 416552698 /nfs/dbraw/zinc/55/26/98/416552698.db2.gz ASQHXTXHVCLZPM-QWHCGFSZSA-N 2 2 295.496 3.390 20 0 CGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000414897270 416561114 /nfs/dbraw/zinc/56/11/14/416561114.db2.gz QYFXVCPFKXPKKU-ROUUACIJSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1)[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000679219371 543601316 /nfs/dbraw/zinc/60/13/16/543601316.db2.gz CPUGOQRWQRMRAX-OLMNGRFOSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H](F)C1)[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000679219371 543601318 /nfs/dbraw/zinc/60/13/18/543601318.db2.gz CPUGOQRWQRMRAX-OLMNGRFOSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H](F)C1)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219371 543601320 /nfs/dbraw/zinc/60/13/20/543601320.db2.gz CPUGOQRWQRMRAX-OLMNGRFOSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H](F)C1)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219371 543601322 /nfs/dbraw/zinc/60/13/22/543601322.db2.gz CPUGOQRWQRMRAX-OLMNGRFOSA-N 2 2 288.426 3.125 20 0 CGADLP C[N@@H+](CCCc1ccc(Cl)cc1)CCCn1cc[nH+]c1 ZINC000130403098 287354320 /nfs/dbraw/zinc/35/43/20/287354320.db2.gz QRCBAAUEKVRJBY-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP C[N@H+](CCCc1ccc(Cl)cc1)CCCn1cc[nH+]c1 ZINC000130403098 287354323 /nfs/dbraw/zinc/35/43/23/287354323.db2.gz QRCBAAUEKVRJBY-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368905 543705193 /nfs/dbraw/zinc/70/51/93/543705193.db2.gz QWUBKVVFXUOPTH-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368905 543705195 /nfs/dbraw/zinc/70/51/95/543705195.db2.gz QWUBKVVFXUOPTH-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130641459 287359983 /nfs/dbraw/zinc/35/99/83/287359983.db2.gz OMFOJCWXFWMWGG-ZIAGYGMSSA-N 2 2 271.408 3.291 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114379 543768612 /nfs/dbraw/zinc/76/86/12/543768612.db2.gz RUHIWLUCQLNAHV-GOTCIRLWSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114379 543768614 /nfs/dbraw/zinc/76/86/14/543768614.db2.gz RUHIWLUCQLNAHV-GOTCIRLWSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000682078222 543823785 /nfs/dbraw/zinc/82/37/85/543823785.db2.gz WCJDHLNQLABPJR-JLSDUUJJSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000682078222 543823788 /nfs/dbraw/zinc/82/37/88/543823788.db2.gz WCJDHLNQLABPJR-JLSDUUJJSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681743458 543805443 /nfs/dbraw/zinc/80/54/43/543805443.db2.gz NKCHELYUXNUTHI-XUWXXGDYSA-N 2 2 281.403 3.111 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)[C@@H]3CC3(C)C)[nH+]c12 ZINC000683773191 543940593 /nfs/dbraw/zinc/94/05/93/543940593.db2.gz VFWZOCCOXBPVIN-ZFWWWQNUSA-N 2 2 271.408 3.209 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)[nH]1 ZINC000683826281 543944825 /nfs/dbraw/zinc/94/48/25/543944825.db2.gz LHOTWHXZENOOFX-KRWDZBQOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)[nH]1 ZINC000683826281 543944828 /nfs/dbraw/zinc/94/48/28/543944828.db2.gz LHOTWHXZENOOFX-KRWDZBQOSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000683895382 543950375 /nfs/dbraw/zinc/95/03/75/543950375.db2.gz QYWWJZWXLNVLDS-HNNXBMFYSA-N 2 2 298.434 3.416 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCNc2ccccc2)c[nH+]1 ZINC000684366836 543986199 /nfs/dbraw/zinc/98/61/99/543986199.db2.gz WENUHGGPAUECGU-UHFFFAOYSA-N 2 2 283.419 3.414 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448854 544071783 /nfs/dbraw/zinc/07/17/83/544071783.db2.gz LESVSWDJVOXJEU-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448854 544071785 /nfs/dbraw/zinc/07/17/85/544071785.db2.gz LESVSWDJVOXJEU-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CC2)s1 ZINC000685459746 544073437 /nfs/dbraw/zinc/07/34/37/544073437.db2.gz RVIGATONILHKOG-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CC2)s1 ZINC000685459746 544073439 /nfs/dbraw/zinc/07/34/39/544073439.db2.gz RVIGATONILHKOG-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC2(F)F)c[nH+]1 ZINC000685473165 544078880 /nfs/dbraw/zinc/07/88/80/544078880.db2.gz UWEYWDYPCHWVTJ-CYBMUJFWSA-N 2 2 254.324 3.100 20 0 CGADLP Oc1cccc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c12 ZINC000685910999 544108033 /nfs/dbraw/zinc/10/80/33/544108033.db2.gz WCUDWDOCJUSNQY-UHFFFAOYSA-N 2 2 290.326 3.200 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000652238082 418939559 /nfs/dbraw/zinc/93/95/59/418939559.db2.gz SDLHJXHUXUYMAW-OAHLLOKOSA-N 2 2 292.471 3.115 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000652238082 418939561 /nfs/dbraw/zinc/93/95/61/418939561.db2.gz SDLHJXHUXUYMAW-OAHLLOKOSA-N 2 2 292.471 3.115 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000664402123 418953189 /nfs/dbraw/zinc/95/31/89/418953189.db2.gz ANKDTHBHIYIOAK-AWEZNQCLSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000664402123 418953192 /nfs/dbraw/zinc/95/31/92/418953192.db2.gz ANKDTHBHIYIOAK-AWEZNQCLSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000664630886 418988417 /nfs/dbraw/zinc/98/84/17/418988417.db2.gz HVHHMCRZDIQDGK-KRWDZBQOSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000664630886 418988419 /nfs/dbraw/zinc/98/84/19/418988419.db2.gz HVHHMCRZDIQDGK-KRWDZBQOSA-N 2 2 296.418 3.088 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000660130181 419083437 /nfs/dbraw/zinc/08/34/37/419083437.db2.gz WRYZZEBRFXVZIR-IRXDYDNUSA-N 2 2 295.430 3.330 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000660130181 419083441 /nfs/dbraw/zinc/08/34/41/419083441.db2.gz WRYZZEBRFXVZIR-IRXDYDNUSA-N 2 2 295.430 3.330 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@H](C)CCCC[NH3+] ZINC000665236483 419087048 /nfs/dbraw/zinc/08/70/48/419087048.db2.gz NQPDLRKUBPYEAV-CYBMUJFWSA-N 2 2 250.386 3.241 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762905 419090696 /nfs/dbraw/zinc/09/06/96/419090696.db2.gz ZTGWQVKQGVVMEC-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000665262059 419095840 /nfs/dbraw/zinc/09/58/40/419095840.db2.gz SEBZOTOYYUOECN-CJNGLKHVSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc2ccccc2c1 ZINC000665277206 419099416 /nfs/dbraw/zinc/09/94/16/419099416.db2.gz WPJGAQUSKBAZKI-VNSJNIRKSA-N 2 2 266.388 3.242 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1Cl ZINC000665276335 419099765 /nfs/dbraw/zinc/09/97/65/419099765.db2.gz ABDBPIQRUUXKDB-IPWFMCSPSA-N 2 2 285.218 3.396 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccccc2)o1 ZINC000665277828 419099793 /nfs/dbraw/zinc/09/97/93/419099793.db2.gz MTKUEPKKOPEKDP-VNSJNIRKSA-N 2 2 282.387 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000655801257 419100048 /nfs/dbraw/zinc/10/00/48/419100048.db2.gz UXGUEPTYKRYYAM-JLZZUVOBSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000655801257 419100052 /nfs/dbraw/zinc/10/00/52/419100052.db2.gz UXGUEPTYKRYYAM-JLZZUVOBSA-N 2 2 276.399 3.349 20 0 CGADLP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(F)ccc1F ZINC000665279643 419101389 /nfs/dbraw/zinc/10/13/89/419101389.db2.gz IHHPZXJZKSEZQQ-YWCUFVOSSA-N 2 2 280.362 3.004 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000665296557 419109723 /nfs/dbraw/zinc/10/97/23/419109723.db2.gz UPZVTPGUXJDSIG-KWBADKCTSA-N 2 2 297.240 3.195 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000665298696 419110177 /nfs/dbraw/zinc/11/01/77/419110177.db2.gz ZWKMKIPEXQYBDZ-NEPJUHHUSA-N 2 2 284.831 3.386 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000665297717 419110214 /nfs/dbraw/zinc/11/02/14/419110214.db2.gz KGBUCOVPYFXRNW-MAUKXSAKSA-N 2 2 268.404 3.282 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000660257670 419115130 /nfs/dbraw/zinc/11/51/30/419115130.db2.gz VRCGOVASCJAWCX-IUODEOHRSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000660257670 419115132 /nfs/dbraw/zinc/11/51/32/419115132.db2.gz VRCGOVASCJAWCX-IUODEOHRSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848497 419118100 /nfs/dbraw/zinc/11/81/00/419118100.db2.gz GEVVHUIYDVWHHH-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848497 419118104 /nfs/dbraw/zinc/11/81/04/419118104.db2.gz GEVVHUIYDVWHHH-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000655848322 419118436 /nfs/dbraw/zinc/11/84/36/419118436.db2.gz DRPPEACFINKNCU-BPUTZDHNSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000655848322 419118439 /nfs/dbraw/zinc/11/84/39/419118439.db2.gz DRPPEACFINKNCU-BPUTZDHNSA-N 2 2 282.497 3.125 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849391 419120098 /nfs/dbraw/zinc/12/00/98/419120098.db2.gz UTFKLQFSGBOXLK-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849391 419120100 /nfs/dbraw/zinc/12/01/00/419120100.db2.gz UTFKLQFSGBOXLK-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC000660415225 419139423 /nfs/dbraw/zinc/13/94/23/419139423.db2.gz CCIZJAYHAKQALI-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC000660415225 419139424 /nfs/dbraw/zinc/13/94/24/419139424.db2.gz CCIZJAYHAKQALI-ZDUSSCGKSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@H+](CCCCNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000665724573 419155237 /nfs/dbraw/zinc/15/52/37/419155237.db2.gz LDFXUOMTVAOSBN-UHFFFAOYSA-N 2 2 276.428 3.060 20 0 CGADLP C[N@@H+](CCCCNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000665724573 419155240 /nfs/dbraw/zinc/15/52/40/419155240.db2.gz LDFXUOMTVAOSBN-UHFFFAOYSA-N 2 2 276.428 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000656399149 419168502 /nfs/dbraw/zinc/16/85/02/419168502.db2.gz IIRCWSCRDRHNKY-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000656399149 419168504 /nfs/dbraw/zinc/16/85/04/419168504.db2.gz IIRCWSCRDRHNKY-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724035 419185787 /nfs/dbraw/zinc/18/57/87/419185787.db2.gz PTNGETWJIIYKDJ-WNKDZCFJSA-N 2 2 264.457 3.086 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724035 419185790 /nfs/dbraw/zinc/18/57/90/419185790.db2.gz PTNGETWJIIYKDJ-WNKDZCFJSA-N 2 2 264.457 3.086 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724035 419185792 /nfs/dbraw/zinc/18/57/92/419185792.db2.gz PTNGETWJIIYKDJ-WNKDZCFJSA-N 2 2 264.457 3.086 20 0 CGADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724035 419185796 /nfs/dbraw/zinc/18/57/96/419185796.db2.gz PTNGETWJIIYKDJ-WNKDZCFJSA-N 2 2 264.457 3.086 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657291643 419243911 /nfs/dbraw/zinc/24/39/11/419243911.db2.gz AROGAALVXWHLRB-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657291520 419243927 /nfs/dbraw/zinc/24/39/27/419243927.db2.gz WHSIPYKCPFBOCZ-LBPRGKRZSA-N 2 2 257.381 3.142 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000657297114 419246055 /nfs/dbraw/zinc/24/60/55/419246055.db2.gz LJFTYDADHRZBGW-RRFJBIMHSA-N 2 2 273.424 3.278 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657354113 419258692 /nfs/dbraw/zinc/25/86/92/419258692.db2.gz PTKLYMZSEYGZFP-KGLIPLIRSA-N 2 2 261.413 3.134 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH]c2c1 ZINC000657394235 419269580 /nfs/dbraw/zinc/26/95/80/419269580.db2.gz LPWDSBGKTMWOQY-SCLBCKFNSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH]c2c1 ZINC000657394235 419269582 /nfs/dbraw/zinc/26/95/82/419269582.db2.gz LPWDSBGKTMWOQY-SCLBCKFNSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1[nH+]cc(CNc2[nH+]c3ccccc3n2C2CC2)n1C ZINC000656772016 419215016 /nfs/dbraw/zinc/21/50/16/419215016.db2.gz KTLFGDHARMVNPM-UHFFFAOYSA-N 2 2 281.363 3.025 20 0 CGADLP CCCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OCC ZINC000656782532 419217967 /nfs/dbraw/zinc/21/79/67/419217967.db2.gz HAVKIEDZAQACDH-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP CCCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OCC ZINC000656782532 419217970 /nfs/dbraw/zinc/21/79/70/419217970.db2.gz HAVKIEDZAQACDH-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)cccc2Cl)CCCC1 ZINC000656788382 419219027 /nfs/dbraw/zinc/21/90/27/419219027.db2.gz MIBWWJAEICWALJ-UHFFFAOYSA-N 2 2 273.207 3.355 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000657439949 419279632 /nfs/dbraw/zinc/27/96/32/419279632.db2.gz IQWYIXLWHSGZAB-KFWWJZLASA-N 2 2 261.413 3.146 20 0 CGADLP Fc1cccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657454221 419282392 /nfs/dbraw/zinc/28/23/92/419282392.db2.gz GSQOURNUCQNLCI-CTYIDZIISA-N 2 2 285.366 3.004 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657485433 419291112 /nfs/dbraw/zinc/29/11/12/419291112.db2.gz ZKJAFLBNTVUTRL-ZDUSSCGKSA-N 2 2 261.413 3.135 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000657525577 419297693 /nfs/dbraw/zinc/29/76/93/419297693.db2.gz STCPQCFWQDRQON-OJXHRBAXSA-N 2 2 258.409 3.162 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000657525577 419297695 /nfs/dbraw/zinc/29/76/95/419297695.db2.gz STCPQCFWQDRQON-OJXHRBAXSA-N 2 2 258.409 3.162 20 0 CGADLP COC1CC(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000657528103 419298503 /nfs/dbraw/zinc/29/85/03/419298503.db2.gz OKTNLVZFARKXPE-UHFFFAOYSA-N 2 2 299.418 3.085 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657526624 419299125 /nfs/dbraw/zinc/29/91/25/419299125.db2.gz JSOJJLDNOVUYCG-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657526624 419299127 /nfs/dbraw/zinc/29/91/27/419299127.db2.gz JSOJJLDNOVUYCG-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC23CCCCC3)n1C ZINC000657537005 419301019 /nfs/dbraw/zinc/30/10/19/419301019.db2.gz YAFPVYMHGXVKFT-OAHLLOKOSA-N 2 2 261.413 3.321 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657563330 419305903 /nfs/dbraw/zinc/30/59/03/419305903.db2.gz MASDYUXKLPIEFH-GFCCVEGCSA-N 2 2 260.372 3.027 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657563330 419305905 /nfs/dbraw/zinc/30/59/05/419305905.db2.gz MASDYUXKLPIEFH-GFCCVEGCSA-N 2 2 260.372 3.027 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662156993 419345587 /nfs/dbraw/zinc/34/55/87/419345587.db2.gz NXZADEPPAQQXIM-HNNXBMFYSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662156993 419345593 /nfs/dbraw/zinc/34/55/93/419345593.db2.gz NXZADEPPAQQXIM-HNNXBMFYSA-N 2 2 261.413 3.007 20 0 CGADLP CCOC1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000657815569 419364609 /nfs/dbraw/zinc/36/46/09/419364609.db2.gz DLEBMYNZVZMDEC-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP C[N@H+](CCSc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000662274346 419381031 /nfs/dbraw/zinc/38/10/31/419381031.db2.gz VXGOGVXLQPYYLI-CQSZACIVSA-N 2 2 284.856 3.101 20 0 CGADLP C[N@@H+](CCSc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000662274346 419381036 /nfs/dbraw/zinc/38/10/36/419381036.db2.gz VXGOGVXLQPYYLI-CQSZACIVSA-N 2 2 284.856 3.101 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000658059810 419531911 /nfs/dbraw/zinc/53/19/11/419531911.db2.gz XABWFPAPRYLYPY-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000658059810 419531917 /nfs/dbraw/zinc/53/19/17/419531917.db2.gz XABWFPAPRYLYPY-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000658062043 419534920 /nfs/dbraw/zinc/53/49/20/419534920.db2.gz RGXXLHNUOCPNMA-KFWWJZLASA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000658062043 419534929 /nfs/dbraw/zinc/53/49/29/419534929.db2.gz RGXXLHNUOCPNMA-KFWWJZLASA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094948 419568484 /nfs/dbraw/zinc/56/84/84/419568484.db2.gz CCONQNLVWGOUSN-MGPQQGTHSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094948 419568489 /nfs/dbraw/zinc/56/84/89/419568489.db2.gz CCONQNLVWGOUSN-MGPQQGTHSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCCNc2cccc[nH+]2)[nH+]1 ZINC000663344903 419566833 /nfs/dbraw/zinc/56/68/33/419566833.db2.gz DNUCRLWNIFOUCF-UHFFFAOYSA-N 2 2 296.296 3.328 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000658097150 419573682 /nfs/dbraw/zinc/57/36/82/419573682.db2.gz VFODSZRUUAHFRR-CZUORRHYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000658097150 419573685 /nfs/dbraw/zinc/57/36/85/419573685.db2.gz VFODSZRUUAHFRR-CZUORRHYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000658095322 419575419 /nfs/dbraw/zinc/57/54/19/419575419.db2.gz GOIPJEPMWRUCTB-SOUVJXGZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000658095322 419575424 /nfs/dbraw/zinc/57/54/24/419575424.db2.gz GOIPJEPMWRUCTB-SOUVJXGZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000658097199 419578773 /nfs/dbraw/zinc/57/87/73/419578773.db2.gz VUUKOFBUFXWGKT-BPCQOVAHSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000658097199 419578780 /nfs/dbraw/zinc/57/87/80/419578780.db2.gz VUUKOFBUFXWGKT-BPCQOVAHSA-N 2 2 274.399 3.273 20 0 CGADLP CC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000658119171 419594817 /nfs/dbraw/zinc/59/48/17/419594817.db2.gz CIKLHSKBMHXVKU-XYJFISCASA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000658119171 419594824 /nfs/dbraw/zinc/59/48/24/419594824.db2.gz CIKLHSKBMHXVKU-XYJFISCASA-N 2 2 289.467 3.318 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000658288789 419737048 /nfs/dbraw/zinc/73/70/48/419737048.db2.gz ZSDNXSWTMIIHKV-VYDXJSESSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000658288789 419737058 /nfs/dbraw/zinc/73/70/58/419737058.db2.gz ZSDNXSWTMIIHKV-VYDXJSESSA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287956 419738661 /nfs/dbraw/zinc/73/86/61/419738661.db2.gz PILQHZMGEPEVRK-NVXWUHKLSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287956 419738669 /nfs/dbraw/zinc/73/86/69/419738669.db2.gz PILQHZMGEPEVRK-NVXWUHKLSA-N 2 2 298.434 3.007 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292161 419742132 /nfs/dbraw/zinc/74/21/32/419742132.db2.gz PBLGOGNXFPSFEK-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+]CCCOC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194039492 287611687 /nfs/dbraw/zinc/61/16/87/287611687.db2.gz BBOKOASYDAMLMZ-GFCCVEGCSA-N 2 2 295.333 3.152 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000181738664 260714172 /nfs/dbraw/zinc/71/41/72/260714172.db2.gz JQXSZBSHFXRXTE-HOCLYGCPSA-N 2 2 271.408 3.435 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019988665 262183951 /nfs/dbraw/zinc/18/39/51/262183951.db2.gz PENRPIJZWGZOBN-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019988665 262183952 /nfs/dbraw/zinc/18/39/52/262183952.db2.gz PENRPIJZWGZOBN-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186538289 262316598 /nfs/dbraw/zinc/31/65/98/262316598.db2.gz YLIXGWGGQUMXTJ-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186538289 262316599 /nfs/dbraw/zinc/31/65/99/262316599.db2.gz YLIXGWGGQUMXTJ-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000231690535 287643524 /nfs/dbraw/zinc/64/35/24/287643524.db2.gz NZQJVSGHEUBHAO-YSVLISHTSA-N 2 2 285.391 3.090 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767870 270030366 /nfs/dbraw/zinc/03/03/66/270030366.db2.gz UXYZCAQDGQHZHC-MRXNPFEDSA-N 2 2 290.451 3.092 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000045094510 270038366 /nfs/dbraw/zinc/03/83/66/270038366.db2.gz REYAFNWLAZZFQA-GFCCVEGCSA-N 2 2 279.334 3.292 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785763 270050504 /nfs/dbraw/zinc/05/05/04/270050504.db2.gz AZMSYJAQOJIGDU-GOSISDBHSA-N 2 2 280.415 3.460 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785763 270050506 /nfs/dbraw/zinc/05/05/06/270050506.db2.gz AZMSYJAQOJIGDU-GOSISDBHSA-N 2 2 280.415 3.460 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000224430025 270086651 /nfs/dbraw/zinc/08/66/51/270086651.db2.gz VSOGNOLEXOGKAE-IAOVAPTHSA-N 2 2 285.391 3.090 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H]1C ZINC000321960139 270093184 /nfs/dbraw/zinc/09/31/84/270093184.db2.gz YMMMDZYBFJGSEX-IMJJTQAJSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000526106559 270123072 /nfs/dbraw/zinc/12/30/72/270123072.db2.gz NWZZBXZZDONGJQ-NZSAHSFTSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000526106559 270123073 /nfs/dbraw/zinc/12/30/73/270123073.db2.gz NWZZBXZZDONGJQ-NZSAHSFTSA-N 2 2 286.463 3.428 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000526112770 270123113 /nfs/dbraw/zinc/12/31/13/270123113.db2.gz JXXYXWUGQYYPLT-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000526112770 270123114 /nfs/dbraw/zinc/12/31/14/270123114.db2.gz JXXYXWUGQYYPLT-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527636449 270130220 /nfs/dbraw/zinc/13/02/20/270130220.db2.gz TZFYCUPKERPVCK-CCKFTAQKSA-N 2 2 295.430 3.456 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527752992 270134315 /nfs/dbraw/zinc/13/43/15/270134315.db2.gz RAHGHANNKTXIDP-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527752992 270134316 /nfs/dbraw/zinc/13/43/16/270134316.db2.gz RAHGHANNKTXIDP-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000527766331 270134899 /nfs/dbraw/zinc/13/48/99/270134899.db2.gz ZPKJKWZZOXMDJH-MRXNPFEDSA-N 2 2 271.408 3.230 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000527857968 270140436 /nfs/dbraw/zinc/14/04/36/270140436.db2.gz FYDJSMMJLYPBPU-IRXDYDNUSA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000527857968 270140437 /nfs/dbraw/zinc/14/04/37/270140437.db2.gz FYDJSMMJLYPBPU-IRXDYDNUSA-N 2 2 272.436 3.224 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CC12CC2 ZINC000527865835 270140456 /nfs/dbraw/zinc/14/04/56/270140456.db2.gz VLCVUHGZBKJWIR-APIJFGDWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC12CC2 ZINC000527846588 270139611 /nfs/dbraw/zinc/13/96/11/270139611.db2.gz GZOFEIDFDBXWQI-PBHICJAKSA-N 2 2 281.403 3.210 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014314 270151371 /nfs/dbraw/zinc/15/13/71/270151371.db2.gz UOLIJTXHNLYEOB-KBXCAEBGSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014314 270151372 /nfs/dbraw/zinc/15/13/72/270151372.db2.gz UOLIJTXHNLYEOB-KBXCAEBGSA-N 2 2 288.410 3.420 20 0 CGADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000528593527 270168596 /nfs/dbraw/zinc/16/85/96/270168596.db2.gz NXJXFYYDGVNTIK-UHFFFAOYSA-N 2 2 271.408 3.492 20 0 CGADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000528593527 270168597 /nfs/dbraw/zinc/16/85/97/270168597.db2.gz NXJXFYYDGVNTIK-UHFFFAOYSA-N 2 2 271.408 3.492 20 0 CGADLP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528745478 270170731 /nfs/dbraw/zinc/17/07/31/270170731.db2.gz QPMDLVOJXLKJHY-MRXNPFEDSA-N 2 2 287.382 3.290 20 0 CGADLP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528745478 270170732 /nfs/dbraw/zinc/17/07/32/270170732.db2.gz QPMDLVOJXLKJHY-MRXNPFEDSA-N 2 2 287.382 3.290 20 0 CGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cn1 ZINC000529549006 270184102 /nfs/dbraw/zinc/18/41/02/270184102.db2.gz VBWNTDOXCOLQMB-UHFFFAOYSA-N 2 2 293.430 3.355 20 0 CGADLP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000530225672 270196571 /nfs/dbraw/zinc/19/65/71/270196571.db2.gz VIUUVHWUVBQWOV-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000530225672 270196572 /nfs/dbraw/zinc/19/65/72/270196572.db2.gz VIUUVHWUVBQWOV-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000530222965 270196692 /nfs/dbraw/zinc/19/66/92/270196692.db2.gz SGCUAPJZZNRKDA-HOTGVXAUSA-N 2 2 273.424 3.043 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530226297 270196765 /nfs/dbraw/zinc/19/67/65/270196765.db2.gz ZLOKJFAVZUTHJW-ZFWWWQNUSA-N 2 2 274.408 3.167 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199162 /nfs/dbraw/zinc/19/91/62/270199162.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199163 /nfs/dbraw/zinc/19/91/63/270199163.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199164 /nfs/dbraw/zinc/19/91/64/270199164.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000530359307 270199165 /nfs/dbraw/zinc/19/91/65/270199165.db2.gz MTYQHCILWLBESY-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000531946891 270210868 /nfs/dbraw/zinc/21/08/68/270210868.db2.gz MQSYEFSWUHIWKR-INIZCTEOSA-N 2 2 252.446 3.443 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000531932664 270211017 /nfs/dbraw/zinc/21/10/17/270211017.db2.gz RDJMBODKRPAESJ-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000531952410 270211487 /nfs/dbraw/zinc/21/14/87/270211487.db2.gz XNSBBLVKAOIGAJ-BFYDXBDKSA-N 2 2 274.452 3.283 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000531952410 270211488 /nfs/dbraw/zinc/21/14/88/270211488.db2.gz XNSBBLVKAOIGAJ-BFYDXBDKSA-N 2 2 274.452 3.283 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000531966810 270211707 /nfs/dbraw/zinc/21/17/07/270211707.db2.gz FDNFTUJRKNFJGR-DJIMGWMZSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000531966810 270211708 /nfs/dbraw/zinc/21/17/08/270211708.db2.gz FDNFTUJRKNFJGR-DJIMGWMZSA-N 2 2 260.425 3.232 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984060 270212328 /nfs/dbraw/zinc/21/23/28/270212328.db2.gz KJPHGRNDJSNIPZ-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984060 270212329 /nfs/dbraw/zinc/21/23/29/270212329.db2.gz KJPHGRNDJSNIPZ-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296139 270214870 /nfs/dbraw/zinc/21/48/70/270214870.db2.gz JMPNFCSYCPGKDX-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296139 270214871 /nfs/dbraw/zinc/21/48/71/270214871.db2.gz JMPNFCSYCPGKDX-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000532530246 270216857 /nfs/dbraw/zinc/21/68/57/270216857.db2.gz LXVFYIDJFGFZKJ-PBHICJAKSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000532530246 270216858 /nfs/dbraw/zinc/21/68/58/270216858.db2.gz LXVFYIDJFGFZKJ-PBHICJAKSA-N 2 2 276.424 3.078 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000415089376 273499282 /nfs/dbraw/zinc/49/92/82/273499282.db2.gz WMDAQSBBHOMHLI-CQSZACIVSA-N 2 2 266.816 3.305 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000421830903 274015483 /nfs/dbraw/zinc/01/54/83/274015483.db2.gz KQKOFVBPVFNMDW-GJZGRUSLSA-N 2 2 291.439 3.088 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000054078580 274244429 /nfs/dbraw/zinc/24/44/29/274244429.db2.gz XMBYIMWWHVLHAK-CQSZACIVSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504982 274366540 /nfs/dbraw/zinc/36/65/40/274366540.db2.gz ZNRKERYHSGQGII-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504982 274366541 /nfs/dbraw/zinc/36/65/41/274366541.db2.gz ZNRKERYHSGQGII-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC000279864475 274850579 /nfs/dbraw/zinc/85/05/79/274850579.db2.gz STTINBYAKSYDHW-UHFFFAOYSA-N 2 2 269.392 3.392 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C2CC3(CCC3)C2)c[nH+]1 ZINC000448062387 275072327 /nfs/dbraw/zinc/07/23/27/275072327.db2.gz CDAZPHONJVJHAY-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2COc3c2cccc3Cl)CC1 ZINC000370573340 276004919 /nfs/dbraw/zinc/00/49/19/276004919.db2.gz CTVBKZVOYIOHEC-OAHLLOKOSA-N 2 2 294.826 3.238 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449336159 276045257 /nfs/dbraw/zinc/04/52/57/276045257.db2.gz MWVKAGSSGQRPFE-KGLIPLIRSA-N 2 2 261.413 3.216 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449336159 276045260 /nfs/dbraw/zinc/04/52/60/276045260.db2.gz MWVKAGSSGQRPFE-KGLIPLIRSA-N 2 2 261.413 3.216 20 0 CGADLP CC[N@H+](C)CC[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000512985852 276071380 /nfs/dbraw/zinc/07/13/80/276071380.db2.gz RBZLDLWQPOIZNX-QBFSEMIESA-N 2 2 266.816 3.285 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C\c1ccc(Cl)cc1 ZINC000512985852 276071381 /nfs/dbraw/zinc/07/13/81/276071381.db2.gz RBZLDLWQPOIZNX-QBFSEMIESA-N 2 2 266.816 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000339072833 276168026 /nfs/dbraw/zinc/16/80/26/276168026.db2.gz YCFNGNMLRZGVOC-SJLPKXTDSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000339072833 276168027 /nfs/dbraw/zinc/16/80/27/276168027.db2.gz YCFNGNMLRZGVOC-SJLPKXTDSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300079252 276174137 /nfs/dbraw/zinc/17/41/37/276174137.db2.gz RXECRXCUXIUTPX-NUEKZKHPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300079252 276174138 /nfs/dbraw/zinc/17/41/38/276174138.db2.gz RXECRXCUXIUTPX-NUEKZKHPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019960782 276174714 /nfs/dbraw/zinc/17/47/14/276174714.db2.gz BXPGDCFOYSWAMY-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019960782 276174716 /nfs/dbraw/zinc/17/47/16/276174716.db2.gz BXPGDCFOYSWAMY-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276464 276373847 /nfs/dbraw/zinc/37/38/47/276373847.db2.gz MWXIONTZFKWRQZ-HZMBPMFUSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000355127869 276649981 /nfs/dbraw/zinc/64/99/81/276649981.db2.gz WNQGRJVJTWASLW-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000337132915 277139147 /nfs/dbraw/zinc/13/91/47/277139147.db2.gz KNHQTIKALASTQY-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000337132915 277139149 /nfs/dbraw/zinc/13/91/49/277139149.db2.gz KNHQTIKALASTQY-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494524815 278166522 /nfs/dbraw/zinc/16/65/22/278166522.db2.gz FQUHUWDVMIWYOL-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494524815 278166524 /nfs/dbraw/zinc/16/65/24/278166524.db2.gz FQUHUWDVMIWYOL-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000397815092 288031427 /nfs/dbraw/zinc/03/14/27/288031427.db2.gz ZVMHLEGVDYNCGV-AWEZNQCLSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CS[C@@H](C)C2)n1-c1ccccc1 ZINC000397840974 288031866 /nfs/dbraw/zinc/03/18/66/288031866.db2.gz QMCISTABRIRMIG-GXTWGEPZSA-N 2 2 287.432 3.164 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000397876591 288033577 /nfs/dbraw/zinc/03/35/77/288033577.db2.gz IFBWDBOLNMAGCN-NSHDSACASA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000397883975 288033837 /nfs/dbraw/zinc/03/38/37/288033837.db2.gz MAWXAOXQZNDGMN-NSHDSACASA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422729224 278371643 /nfs/dbraw/zinc/37/16/43/278371643.db2.gz HMXCUWASSYPCPG-XOKHGSTOSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449438718 278384688 /nfs/dbraw/zinc/38/46/88/278384688.db2.gz CWNIBSZXLRFIKF-KEYYUXOJSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449438718 278384692 /nfs/dbraw/zinc/38/46/92/278384692.db2.gz CWNIBSZXLRFIKF-KEYYUXOJSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422846570 278386249 /nfs/dbraw/zinc/38/62/49/278386249.db2.gz QCYYUCXGHZOXEI-SWHYSGLUSA-N 2 2 280.412 3.093 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CCCCC1 ZINC000482538759 288043638 /nfs/dbraw/zinc/04/36/38/288043638.db2.gz ARSDZDOVEIENJZ-CJNGLKHVSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CCCCC1 ZINC000482538759 288043641 /nfs/dbraw/zinc/04/36/41/288043641.db2.gz ARSDZDOVEIENJZ-CJNGLKHVSA-N 2 2 252.446 3.418 20 0 CGADLP CCCN(CC[NH+]1CCCC1)c1cc[nH+]cc1Cl ZINC000343256389 278787445 /nfs/dbraw/zinc/78/74/45/278787445.db2.gz WCXCWVWUBNGQJM-UHFFFAOYSA-N 2 2 267.804 3.047 20 0 CGADLP CC(C)CC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459383591 288086445 /nfs/dbraw/zinc/08/64/45/288086445.db2.gz GILRXTNGMWJKGE-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)CC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459383591 288086449 /nfs/dbraw/zinc/08/64/49/288086449.db2.gz GILRXTNGMWJKGE-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000459304170 288084058 /nfs/dbraw/zinc/08/40/58/288084058.db2.gz NFLKBTZQNNNPEZ-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(F)c1 ZINC000459304170 288084060 /nfs/dbraw/zinc/08/40/60/288084060.db2.gz NFLKBTZQNNNPEZ-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423263173 279142337 /nfs/dbraw/zinc/14/23/37/279142337.db2.gz NZZJPMSUKRYGKA-NWDGAFQWSA-N 2 2 281.469 3.046 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000315319912 279165178 /nfs/dbraw/zinc/16/51/78/279165178.db2.gz LXNDXIBAELVHFW-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337256738 288125538 /nfs/dbraw/zinc/12/55/38/288125538.db2.gz NMDHGXJAEOZOMZ-RRIFGTCXSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337256738 288125543 /nfs/dbraw/zinc/12/55/43/288125543.db2.gz NMDHGXJAEOZOMZ-RRIFGTCXSA-N 2 2 299.462 3.180 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3cc[nH]c3c1)CCC2 ZINC000527667382 288186263 /nfs/dbraw/zinc/18/62/63/288186263.db2.gz TUZAXOPHAMDVEL-MRXNPFEDSA-N 2 2 294.402 3.340 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000282364943 280177453 /nfs/dbraw/zinc/17/74/53/280177453.db2.gz WHGXQEZGGFVKOH-LZQZEXGQSA-N 2 2 299.462 3.214 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510679883 280254552 /nfs/dbraw/zinc/25/45/52/280254552.db2.gz HISWEFMHJQAILX-BRWVUGGUSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510679883 280254554 /nfs/dbraw/zinc/25/45/54/280254554.db2.gz HISWEFMHJQAILX-BRWVUGGUSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427873317 280270343 /nfs/dbraw/zinc/27/03/43/280270343.db2.gz FGQRATAHHOQFTF-SJORKVTESA-N 2 2 283.419 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CCC2 ZINC000339068183 281092555 /nfs/dbraw/zinc/09/25/55/281092555.db2.gz MCMXBRGVMKQZBC-KDOFPFPSSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CCC2 ZINC000339068183 281092557 /nfs/dbraw/zinc/09/25/57/281092557.db2.gz MCMXBRGVMKQZBC-KDOFPFPSSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102394 281097611 /nfs/dbraw/zinc/09/76/11/281097611.db2.gz OEFDCGHRJNNGCF-HOCLYGCPSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102394 281097613 /nfs/dbraw/zinc/09/76/13/281097613.db2.gz OEFDCGHRJNNGCF-HOCLYGCPSA-N 2 2 281.403 3.243 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176663 288294507 /nfs/dbraw/zinc/29/45/07/288294507.db2.gz FKWCOIYTHQTFLU-CYBMUJFWSA-N 2 2 284.325 3.080 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177810 288295353 /nfs/dbraw/zinc/29/53/53/288295353.db2.gz HYTJXAPHPLGOFK-HNNXBMFYSA-N 2 2 299.443 3.184 20 0 CGADLP Cc1cccc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000127803113 281244395 /nfs/dbraw/zinc/24/43/95/281244395.db2.gz TZWGIBHHUXIQFT-HNNXBMFYSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1cccnc1)C(C)C)CCC2 ZINC000359320724 281551073 /nfs/dbraw/zinc/55/10/73/281551073.db2.gz KCJSEKSYJZRAHU-DLBZAZTESA-N 2 2 298.434 3.451 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000532240311 288357841 /nfs/dbraw/zinc/35/78/41/288357841.db2.gz KPBUKXPXOWRDOK-JLSDUUJJSA-N 2 2 290.426 3.393 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000532240311 288357843 /nfs/dbraw/zinc/35/78/43/288357843.db2.gz KPBUKXPXOWRDOK-JLSDUUJJSA-N 2 2 290.426 3.393 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCOCC1 ZINC000532497454 288365490 /nfs/dbraw/zinc/36/54/90/288365490.db2.gz ZJAZHSLPEWSVOS-INIZCTEOSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532497576 288365536 /nfs/dbraw/zinc/36/55/36/288365536.db2.gz CGXOCEXYQXDISP-YHUYYLMFSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532497576 288365538 /nfs/dbraw/zinc/36/55/38/288365538.db2.gz CGXOCEXYQXDISP-YHUYYLMFSA-N 2 2 252.446 3.131 20 0 CGADLP C[NH+](C)CC1([NH2+]CC2CCC(C(F)(F)F)CC2)CCC1 ZINC000337221349 289098832 /nfs/dbraw/zinc/09/88/32/289098832.db2.gz MGNROMMOYWPYOH-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000552224228 289173092 /nfs/dbraw/zinc/17/30/92/289173092.db2.gz OJBZUKARWRPYNT-JKSUJKDBSA-N 2 2 273.424 3.075 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859526 289242176 /nfs/dbraw/zinc/24/21/76/289242176.db2.gz KMTRSJPHRIAHMV-ZTRSQXPZSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859526 289242179 /nfs/dbraw/zinc/24/21/79/289242179.db2.gz KMTRSJPHRIAHMV-ZTRSQXPZSA-N 2 2 286.463 3.425 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554376559 289278666 /nfs/dbraw/zinc/27/86/66/289278666.db2.gz BFGFNXHYGKQCLQ-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554376559 289278667 /nfs/dbraw/zinc/27/86/67/289278667.db2.gz BFGFNXHYGKQCLQ-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP CC1(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000555525848 289347940 /nfs/dbraw/zinc/34/79/40/289347940.db2.gz ZEHDIARBYOWGNU-CYBMUJFWSA-N 2 2 264.438 3.275 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1 ZINC000556431464 289391773 /nfs/dbraw/zinc/39/17/73/289391773.db2.gz XTHLVMPONDHOEB-CYBMUJFWSA-N 2 2 287.382 3.252 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000562522623 289711318 /nfs/dbraw/zinc/71/13/18/289711318.db2.gz YBGMICBUMJTZAO-UMVBOHGHSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000346804629 290006681 /nfs/dbraw/zinc/00/66/81/290006681.db2.gz HJNKRVDMVRWPJM-WOSRLPQWSA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000346804629 290006682 /nfs/dbraw/zinc/00/66/82/290006682.db2.gz HJNKRVDMVRWPJM-WOSRLPQWSA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C2CC2)cc1 ZINC000417351273 290058617 /nfs/dbraw/zinc/05/86/17/290058617.db2.gz BXOUBSUTDLGLMK-DCGLDWPTSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C2CC2)cc1 ZINC000417351273 290058618 /nfs/dbraw/zinc/05/86/18/290058618.db2.gz BXOUBSUTDLGLMK-DCGLDWPTSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000090667346 290275601 /nfs/dbraw/zinc/27/56/01/290275601.db2.gz LJUJJGHKTWPKKI-CABCVRRESA-N 2 2 287.451 3.385 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000091307937 295245186 /nfs/dbraw/zinc/24/51/86/295245186.db2.gz ZPTHNZCDYSWIPC-DOTOQJQBSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000091307937 295245187 /nfs/dbraw/zinc/24/51/87/295245187.db2.gz ZPTHNZCDYSWIPC-DOTOQJQBSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccccc1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423195173 295385915 /nfs/dbraw/zinc/38/59/15/295385915.db2.gz SJVHYJYVHIEAHS-YJBOKZPZSA-N 2 2 288.435 3.268 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)n1C ZINC000580330649 327837491 /nfs/dbraw/zinc/83/74/91/327837491.db2.gz QFQVRZPPUYAIKS-ZBFHGGJFSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158216181 321812716 /nfs/dbraw/zinc/81/27/16/321812716.db2.gz BRVMSASPLFXFFQ-KYJSFNMBSA-N 2 2 299.418 3.074 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)c[nH+]1 ZINC000563442979 321998822 /nfs/dbraw/zinc/99/88/22/321998822.db2.gz PFCOQDGSBJABFB-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccncc1C)[NH+](C)C ZINC000565756234 322089967 /nfs/dbraw/zinc/08/99/67/322089967.db2.gz NBHZXSPVFWCOPK-QFBILLFUSA-N 2 2 297.446 3.479 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000566007374 322100646 /nfs/dbraw/zinc/10/06/46/322100646.db2.gz VOPFVRKUGZCWRK-RTBURBONSA-N 2 2 296.414 3.300 20 0 CGADLP Cc1cccn2cc(Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)[nH+]c12 ZINC000567323683 322159035 /nfs/dbraw/zinc/15/90/35/322159035.db2.gz FZTXEZDOWRVUGD-KBPBESRZSA-N 2 2 294.402 3.258 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000567588465 322169055 /nfs/dbraw/zinc/16/90/55/322169055.db2.gz CTRYDMFPSFSSAO-MRXNPFEDSA-N 2 2 289.810 3.283 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000567864002 322180551 /nfs/dbraw/zinc/18/05/51/322180551.db2.gz GJIHVYCAUGXFLW-OKYOBFRVSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000567864002 322180553 /nfs/dbraw/zinc/18/05/53/322180553.db2.gz GJIHVYCAUGXFLW-OKYOBFRVSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000567864001 322180819 /nfs/dbraw/zinc/18/08/19/322180819.db2.gz GJIHVYCAUGXFLW-INDMIFKZSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000567864001 322180821 /nfs/dbraw/zinc/18/08/21/322180821.db2.gz GJIHVYCAUGXFLW-INDMIFKZSA-N 2 2 284.447 3.397 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000568033556 322189236 /nfs/dbraw/zinc/18/92/36/322189236.db2.gz QQIGAKYQYMTSCV-CZUORRHYSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000568033556 322189238 /nfs/dbraw/zinc/18/92/38/322189238.db2.gz QQIGAKYQYMTSCV-CZUORRHYSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000568033556 322189239 /nfs/dbraw/zinc/18/92/39/322189239.db2.gz QQIGAKYQYMTSCV-CZUORRHYSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000568033556 322189241 /nfs/dbraw/zinc/18/92/41/322189241.db2.gz QQIGAKYQYMTSCV-CZUORRHYSA-N 2 2 280.843 3.420 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000569259889 322241552 /nfs/dbraw/zinc/24/15/52/322241552.db2.gz JXDFGGGWKOLTFS-ZIAGYGMSSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000569259889 322241554 /nfs/dbraw/zinc/24/15/54/322241554.db2.gz JXDFGGGWKOLTFS-ZIAGYGMSSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1[NH3+] ZINC000570044328 322263669 /nfs/dbraw/zinc/26/36/69/322263669.db2.gz FGGYCWXLVDSWGX-WFASDCNBSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)s2)CC[C@@H]1[NH3+] ZINC000570044328 322263670 /nfs/dbraw/zinc/26/36/70/322263670.db2.gz FGGYCWXLVDSWGX-WFASDCNBSA-N 2 2 293.480 3.360 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000570275735 322269545 /nfs/dbraw/zinc/26/95/45/322269545.db2.gz LXUNLMBRRQIPAF-MAUKXSAKSA-N 2 2 283.419 3.171 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000570912762 322285334 /nfs/dbraw/zinc/28/53/34/322285334.db2.gz XBDNOCIORXSBPX-HUUCEWRRSA-N 2 2 286.419 3.295 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000570912762 322285335 /nfs/dbraw/zinc/28/53/35/322285335.db2.gz XBDNOCIORXSBPX-HUUCEWRRSA-N 2 2 286.419 3.295 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000571389737 322297405 /nfs/dbraw/zinc/29/74/05/322297405.db2.gz YRVCVBZCTLDGLA-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000571389737 322297406 /nfs/dbraw/zinc/29/74/06/322297406.db2.gz YRVCVBZCTLDGLA-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721273 322306276 /nfs/dbraw/zinc/30/62/76/322306276.db2.gz GMCYINBGKVPKMI-WMZOPIPTSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721273 322306277 /nfs/dbraw/zinc/30/62/77/322306277.db2.gz GMCYINBGKVPKMI-WMZOPIPTSA-N 2 2 290.451 3.458 20 0 CGADLP Cc1[nH]c(CNc2ccc(Cl)c(C[NH+](C)C)c2)[nH+]c1C ZINC000572424996 322336523 /nfs/dbraw/zinc/33/65/23/322336523.db2.gz ZHROPTYFPCVCKT-UHFFFAOYSA-N 2 2 292.814 3.354 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000573391601 322386153 /nfs/dbraw/zinc/38/61/53/322386153.db2.gz QXIOWOLUMCWDEG-PMPSAXMXSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCCCc2ccc(F)cc2)n1C ZINC000573578808 322395260 /nfs/dbraw/zinc/39/52/60/322395260.db2.gz IBGVZMQKBKVGKB-UHFFFAOYSA-N 2 2 289.398 3.370 20 0 CGADLP C[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000573634062 322398510 /nfs/dbraw/zinc/39/85/10/322398510.db2.gz NXTRWYRPPOUCAS-YQQAZPJKSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@H]1CCC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000573634062 322398511 /nfs/dbraw/zinc/39/85/11/322398511.db2.gz NXTRWYRPPOUCAS-YQQAZPJKSA-N 2 2 274.408 3.361 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670039 335232914 /nfs/dbraw/zinc/23/29/14/335232914.db2.gz MOGBKLYOOLPRLX-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670039 335232916 /nfs/dbraw/zinc/23/29/16/335232916.db2.gz MOGBKLYOOLPRLX-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670039 335232917 /nfs/dbraw/zinc/23/29/17/335232917.db2.gz MOGBKLYOOLPRLX-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670039 335232919 /nfs/dbraw/zinc/23/29/19/335232919.db2.gz MOGBKLYOOLPRLX-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCC(C)(C)C1 ZINC000581337427 336051968 /nfs/dbraw/zinc/05/19/68/336051968.db2.gz KHBPFHUWRIIVLF-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCC(C)(C)C1 ZINC000581337427 336051970 /nfs/dbraw/zinc/05/19/70/336051970.db2.gz KHBPFHUWRIIVLF-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000381725610 336071972 /nfs/dbraw/zinc/07/19/72/336071972.db2.gz KHHLLTTUSALPEI-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000381725610 336071973 /nfs/dbraw/zinc/07/19/73/336071973.db2.gz KHHLLTTUSALPEI-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCSc2ccc(F)cc2)n1C ZINC000581559491 336103152 /nfs/dbraw/zinc/10/31/52/336103152.db2.gz BBRGABWBTWPJSC-UHFFFAOYSA-N 2 2 293.411 3.140 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000386180455 336167601 /nfs/dbraw/zinc/16/76/01/336167601.db2.gz HNMPKPYFLPDEBR-MGPQQGTHSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000386180455 336167603 /nfs/dbraw/zinc/16/76/03/336167603.db2.gz HNMPKPYFLPDEBR-MGPQQGTHSA-N 2 2 252.446 3.416 20 0 CGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC2CC2)CCC1 ZINC000386803971 336179901 /nfs/dbraw/zinc/17/99/01/336179901.db2.gz CFKRRQVLQSXYIL-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC2CC2)CCC1 ZINC000386803971 336179902 /nfs/dbraw/zinc/17/99/02/336179902.db2.gz CFKRRQVLQSXYIL-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310098 520880113 /nfs/dbraw/zinc/88/01/13/520880113.db2.gz XITBUNKBFCMLOT-ZBFHGGJFSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310098 520880129 /nfs/dbraw/zinc/88/01/29/520880129.db2.gz XITBUNKBFCMLOT-ZBFHGGJFSA-N 2 2 261.413 3.197 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)CCc1cccs1 ZINC000184508331 521654122 /nfs/dbraw/zinc/65/41/22/521654122.db2.gz ZRYQBLOXDRDIHS-UHFFFAOYSA-N 2 2 277.437 3.289 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)CCc1cccs1 ZINC000184508331 521654125 /nfs/dbraw/zinc/65/41/25/521654125.db2.gz ZRYQBLOXDRDIHS-UHFFFAOYSA-N 2 2 277.437 3.289 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1 ZINC000177243260 533774825 /nfs/dbraw/zinc/77/48/25/533774825.db2.gz VNZFJQRJYKBNQT-INIZCTEOSA-N 2 2 298.430 3.478 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1 ZINC000177243260 533774830 /nfs/dbraw/zinc/77/48/30/533774830.db2.gz VNZFJQRJYKBNQT-INIZCTEOSA-N 2 2 298.430 3.478 20 0 CGADLP COc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367439579 533775345 /nfs/dbraw/zinc/77/53/45/533775345.db2.gz VPKZTVANQVQGEI-ZDUSSCGKSA-N 2 2 285.391 3.079 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccs1 ZINC000423396186 533886623 /nfs/dbraw/zinc/88/66/23/533886623.db2.gz TXSFFGFMGYXAJE-AAEUAGOBSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000177933886 533919184 /nfs/dbraw/zinc/91/91/84/533919184.db2.gz SMGWGCUZFAGLML-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000449381423 533948763 /nfs/dbraw/zinc/94/87/63/533948763.db2.gz YSUKJQZDSLAFMB-PVAVHDDUSA-N 2 2 284.447 3.321 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000449381423 533948770 /nfs/dbraw/zinc/94/87/70/533948770.db2.gz YSUKJQZDSLAFMB-PVAVHDDUSA-N 2 2 284.447 3.321 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000425338367 533992171 /nfs/dbraw/zinc/99/21/71/533992171.db2.gz PAYHDBAWXRZFJZ-QMCVQRASSA-N 2 2 292.492 3.470 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1F ZINC000423525579 533994007 /nfs/dbraw/zinc/99/40/07/533994007.db2.gz KLSZAFMSASEABX-ZUZCIYMTSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000449212006 534157035 /nfs/dbraw/zinc/15/70/35/534157035.db2.gz YXQBVQQEVYCIJG-FHLIZLRMSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000449212006 534157044 /nfs/dbraw/zinc/15/70/44/534157044.db2.gz YXQBVQQEVYCIJG-FHLIZLRMSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449262049 534162576 /nfs/dbraw/zinc/16/25/76/534162576.db2.gz BBNBCPPYTSLMPQ-CQSZACIVSA-N 2 2 286.419 3.438 20 0 CGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414820859 534415219 /nfs/dbraw/zinc/41/52/19/534415219.db2.gz BKSDCSPNKXMUSU-LBPRGKRZSA-N 2 2 292.732 3.200 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000357787634 534428723 /nfs/dbraw/zinc/42/87/23/534428723.db2.gz AKKZAVAPTLUHNY-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)cc1 ZINC000423362583 534494662 /nfs/dbraw/zinc/49/46/62/534494662.db2.gz NBANJGDZALHLQJ-MSOLQXFVSA-N 2 2 299.393 3.042 20 0 CGADLP [NH3+]C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000036754437 534567923 /nfs/dbraw/zinc/56/79/23/534567923.db2.gz PWZIOZCXXFPGKX-UHFFFAOYSA-N 2 2 280.824 3.478 20 0 CGADLP Clc1cnccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877794 534658273 /nfs/dbraw/zinc/65/82/73/534658273.db2.gz MDPPXXDBLZBEFJ-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cnccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877794 534658279 /nfs/dbraw/zinc/65/82/79/534658279.db2.gz MDPPXXDBLZBEFJ-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP Cc1cccc(CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449230424 534693053 /nfs/dbraw/zinc/69/30/53/534693053.db2.gz KTXBRHLSSMOYDK-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449230424 534693055 /nfs/dbraw/zinc/69/30/55/534693055.db2.gz KTXBRHLSSMOYDK-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000449033247 534712295 /nfs/dbraw/zinc/71/22/95/534712295.db2.gz ZGZQDUPTKQPYQI-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000449033247 534712302 /nfs/dbraw/zinc/71/23/02/534712302.db2.gz ZGZQDUPTKQPYQI-INIZCTEOSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374895 534864236 /nfs/dbraw/zinc/86/42/36/534864236.db2.gz UBHBFDQTLQSSPK-UWVGGRQHSA-N 2 2 293.411 3.255 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151724565 525593086 /nfs/dbraw/zinc/59/30/86/525593086.db2.gz ZCMVBMBVYHRFED-LSDHHAIUSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155696484 525600137 /nfs/dbraw/zinc/60/01/37/525600137.db2.gz XBZKCEJKNMZMAJ-INIZCTEOSA-N 2 2 285.391 3.003 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000184339982 526209501 /nfs/dbraw/zinc/20/95/01/526209501.db2.gz DLGGYYWYGCVVJL-OAHLLOKOSA-N 2 2 284.407 3.328 20 0 CGADLP c1ccc(N2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)[nH+]c1 ZINC000290155678 526479333 /nfs/dbraw/zinc/47/93/33/526479333.db2.gz LNPUAHINVPPBDL-UHFFFAOYSA-N 2 2 294.402 3.435 20 0 CGADLP CC(C)(C)SCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000369224761 526603274 /nfs/dbraw/zinc/60/32/74/526603274.db2.gz MCYMOQCHNQHIFY-UHFFFAOYSA-N 2 2 267.442 3.052 20 0 CGADLP CC(C)([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423287222 527255491 /nfs/dbraw/zinc/25/54/91/527255491.db2.gz KYDJMPSOXDVIKF-UHFFFAOYSA-N 2 2 252.361 3.083 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000041027551 527348046 /nfs/dbraw/zinc/34/80/46/527348046.db2.gz FFNWIXUVLHPYKU-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000041027551 527348050 /nfs/dbraw/zinc/34/80/50/527348050.db2.gz FFNWIXUVLHPYKU-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000183672896 527382835 /nfs/dbraw/zinc/38/28/35/527382835.db2.gz VJTAITZXQCDDMO-JTQLQIEISA-N 2 2 265.307 3.096 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccoc1 ZINC000423273908 527810246 /nfs/dbraw/zinc/81/02/46/527810246.db2.gz LDQXMMCOWZKBRF-HUUCEWRRSA-N 2 2 252.402 3.330 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000449071373 527830163 /nfs/dbraw/zinc/83/01/63/527830163.db2.gz BHYJLNKUTIKGPN-OAGGEKHMSA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccoc1 ZINC000423326235 527849090 /nfs/dbraw/zinc/84/90/90/527849090.db2.gz QUJDYQVDONWETK-GJZGRUSLSA-N 2 2 250.386 3.084 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000414557663 527879472 /nfs/dbraw/zinc/87/94/72/527879472.db2.gz XMFZSIWJMDRLSU-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000414557663 527879476 /nfs/dbraw/zinc/87/94/76/527879476.db2.gz XMFZSIWJMDRLSU-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000437100512 527974281 /nfs/dbraw/zinc/97/42/81/527974281.db2.gz VIMFIJYITXWXMN-JCHJZTRSSA-N 2 2 286.463 3.328 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000437100512 527974283 /nfs/dbraw/zinc/97/42/83/527974283.db2.gz VIMFIJYITXWXMN-JCHJZTRSSA-N 2 2 286.463 3.328 20 0 CGADLP CCCN(CC[NH+](CC)CC)c1cc[nH+]c(C(C)C)n1 ZINC000359251301 528079453 /nfs/dbraw/zinc/07/94/53/528079453.db2.gz IPZNVLOPFFEBTK-UHFFFAOYSA-N 2 2 278.444 3.158 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000358169660 528117424 /nfs/dbraw/zinc/11/74/24/528117424.db2.gz RIOSAPFAZRZRAO-IHWYPQMZSA-N 2 2 292.373 3.220 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000358169660 528117432 /nfs/dbraw/zinc/11/74/32/528117432.db2.gz RIOSAPFAZRZRAO-IHWYPQMZSA-N 2 2 292.373 3.220 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437965176 528119228 /nfs/dbraw/zinc/11/92/28/528119228.db2.gz USLFUIYUGUBKQQ-ZIAGYGMSSA-N 2 2 290.373 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437965176 528119233 /nfs/dbraw/zinc/11/92/33/528119233.db2.gz USLFUIYUGUBKQQ-ZIAGYGMSSA-N 2 2 290.373 3.349 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423252733 528333279 /nfs/dbraw/zinc/33/32/79/528333279.db2.gz YCCPFGHTDHRDIX-MRXNPFEDSA-N 2 2 260.381 3.329 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423243857 528333939 /nfs/dbraw/zinc/33/39/39/528333939.db2.gz KOPBDPXNIOZKMS-LLVKDONJSA-N 2 2 288.407 3.304 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423382884 528424146 /nfs/dbraw/zinc/42/41/46/528424146.db2.gz OTPQRLJMCUCELL-WBMJQRKESA-N 2 2 264.388 3.173 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244026 528475725 /nfs/dbraw/zinc/47/57/25/528475725.db2.gz XBPNOVUWEMJBPH-AAEUAGOBSA-N 2 2 282.815 3.141 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423309326 528515542 /nfs/dbraw/zinc/51/55/42/528515542.db2.gz LABHQYJDLJYZEE-GFCCVEGCSA-N 2 2 252.427 3.059 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423314299 528515972 /nfs/dbraw/zinc/51/59/72/528515972.db2.gz VVGBYKYLLTVEON-CYBMUJFWSA-N 2 2 290.407 3.400 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423314551 528516208 /nfs/dbraw/zinc/51/62/08/528516208.db2.gz WFGBXIOJRHEJEJ-GFCCVEGCSA-N 2 2 282.453 3.067 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000426400437 528662685 /nfs/dbraw/zinc/66/26/85/528662685.db2.gz IOOREXGGSGBXQF-GFCCVEGCSA-N 2 2 290.436 3.198 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000426400437 528662690 /nfs/dbraw/zinc/66/26/90/528662690.db2.gz IOOREXGGSGBXQF-GFCCVEGCSA-N 2 2 290.436 3.198 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000426414945 528666727 /nfs/dbraw/zinc/66/67/27/528666727.db2.gz XTBSOOJUZFPJNU-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000426414945 528666733 /nfs/dbraw/zinc/66/67/33/528666733.db2.gz XTBSOOJUZFPJNU-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000426414945 528666739 /nfs/dbraw/zinc/66/67/39/528666739.db2.gz XTBSOOJUZFPJNU-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000426414945 528666748 /nfs/dbraw/zinc/66/67/48/528666748.db2.gz XTBSOOJUZFPJNU-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423303154 528820579 /nfs/dbraw/zinc/82/05/79/528820579.db2.gz WPJVLSMADAHUQR-HOCLYGCPSA-N 3 2 286.423 3.040 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303154 528820581 /nfs/dbraw/zinc/82/05/81/528820581.db2.gz WPJVLSMADAHUQR-HOCLYGCPSA-N 2 2 286.423 3.040 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437101265 528874847 /nfs/dbraw/zinc/87/48/47/528874847.db2.gz YTRCDYBVKDBPML-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414937509 528948427 /nfs/dbraw/zinc/94/84/27/528948427.db2.gz XSCDGWNLNZSQST-CQSZACIVSA-N 2 2 298.377 3.156 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423303153 528955719 /nfs/dbraw/zinc/95/57/19/528955719.db2.gz WPJVLSMADAHUQR-GOEBONIOSA-N 3 2 286.423 3.040 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303153 528955725 /nfs/dbraw/zinc/95/57/25/528955725.db2.gz WPJVLSMADAHUQR-GOEBONIOSA-N 2 2 286.423 3.040 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(OC)cc1 ZINC000414121053 529010098 /nfs/dbraw/zinc/01/00/98/529010098.db2.gz FRMYZLSTRYXOIM-QGZVFWFLSA-N 2 2 287.407 3.102 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000423269484 529072512 /nfs/dbraw/zinc/07/25/12/529072512.db2.gz HJJDCZRSFKVQJH-CABCVRRESA-N 2 2 270.367 3.235 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436282538 529082437 /nfs/dbraw/zinc/08/24/37/529082437.db2.gz RKNAWVZZLXWJNG-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436282538 529082438 /nfs/dbraw/zinc/08/24/38/529082438.db2.gz RKNAWVZZLXWJNG-KZNAEPCWSA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000449288594 529179276 /nfs/dbraw/zinc/17/92/76/529179276.db2.gz ZMEQTWMQPJFRDH-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000449288594 529179280 /nfs/dbraw/zinc/17/92/80/529179280.db2.gz ZMEQTWMQPJFRDH-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1F ZINC000368102933 529207876 /nfs/dbraw/zinc/20/78/76/529207876.db2.gz QUWFZRVLHLWYRN-SMDDNHRTSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1F ZINC000368102933 529207877 /nfs/dbraw/zinc/20/78/77/529207877.db2.gz QUWFZRVLHLWYRN-SMDDNHRTSA-N 2 2 291.345 3.286 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000459660908 534930894 /nfs/dbraw/zinc/93/08/94/534930894.db2.gz MABFPNIFBGGHRU-HUUCEWRRSA-N 2 2 263.429 3.157 20 0 CGADLP CC[C@@H](C)CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000271511060 535526155 /nfs/dbraw/zinc/52/61/55/535526155.db2.gz LUDCIQVACKCFDF-CQSZACIVSA-N 2 2 290.455 3.070 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)[C@@H]1CCC[NH2+]1 ZINC000517229899 535918205 /nfs/dbraw/zinc/91/82/05/535918205.db2.gz HYMAMBPKXONYKW-RZFFKMDDSA-N 2 2 262.397 3.023 20 0 CGADLP C[NH+](C)Cc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000088627180 536018060 /nfs/dbraw/zinc/01/80/60/536018060.db2.gz ZIAKMMHVHBCSEU-UHFFFAOYSA-N 2 2 280.375 3.008 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000733309751 572553362 /nfs/dbraw/zinc/55/33/62/572553362.db2.gz XWKDRIQMBDROPX-UHFFFAOYSA-N 2 2 291.439 3.106 20 0 CGADLP CCc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)s1 ZINC000220356767 572877272 /nfs/dbraw/zinc/87/72/72/572877272.db2.gz SEUSEOZBTBMEOG-UHFFFAOYSA-N 2 2 274.433 3.271 20 0 CGADLP CCc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)s1 ZINC000220356767 572877273 /nfs/dbraw/zinc/87/72/73/572877273.db2.gz SEUSEOZBTBMEOG-UHFFFAOYSA-N 2 2 274.433 3.271 20 0 CGADLP c1cn(-c2ccc(C[NH+]3C4CCCC3CCC4)cn2)c[nH+]1 ZINC000750051286 573077355 /nfs/dbraw/zinc/07/73/55/573077355.db2.gz POOVDPXKQMDBSV-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797976 573180048 /nfs/dbraw/zinc/18/00/48/573180048.db2.gz AYDPPUFTXCGYTP-WDEREUQCSA-N 2 2 287.860 3.101 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797976 573180050 /nfs/dbraw/zinc/18/00/50/573180050.db2.gz AYDPPUFTXCGYTP-WDEREUQCSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797976 573180056 /nfs/dbraw/zinc/18/00/56/573180056.db2.gz AYDPPUFTXCGYTP-WDEREUQCSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797976 573180059 /nfs/dbraw/zinc/18/00/59/573180059.db2.gz AYDPPUFTXCGYTP-WDEREUQCSA-N 2 2 287.860 3.101 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)[nH]1 ZINC000891725208 618261587 /nfs/dbraw/zinc/26/15/87/618261587.db2.gz NLLFFLLIAPYYJU-MRXNPFEDSA-N 2 2 297.402 3.114 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)[nH]1 ZINC000891725208 618261597 /nfs/dbraw/zinc/26/15/97/618261597.db2.gz NLLFFLLIAPYYJU-MRXNPFEDSA-N 2 2 297.402 3.114 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000227402591 618331626 /nfs/dbraw/zinc/33/16/26/618331626.db2.gz GLSUJDWVJWCORF-KWCYVHTRSA-N 2 2 281.469 3.413 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000892105440 618533807 /nfs/dbraw/zinc/53/38/07/618533807.db2.gz KXTSZOBVMHEGIT-YJBOKZPZSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000892105440 618533811 /nfs/dbraw/zinc/53/38/11/618533811.db2.gz KXTSZOBVMHEGIT-YJBOKZPZSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000892105440 618533814 /nfs/dbraw/zinc/53/38/14/618533814.db2.gz KXTSZOBVMHEGIT-YJBOKZPZSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000892105440 618533818 /nfs/dbraw/zinc/53/38/18/618533818.db2.gz KXTSZOBVMHEGIT-YJBOKZPZSA-N 2 2 289.467 3.195 20 0 CGADLP FC1(F)CC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926558600 618741229 /nfs/dbraw/zinc/74/12/29/618741229.db2.gz PZGWYCPOIRZBBK-UONOGXRCSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926558600 618741230 /nfs/dbraw/zinc/74/12/30/618741230.db2.gz PZGWYCPOIRZBBK-UONOGXRCSA-N 2 2 272.383 3.028 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925676121 619125144 /nfs/dbraw/zinc/12/51/44/619125144.db2.gz PNPMVRJTKKOZSI-JKSUJKDBSA-N 2 2 274.383 3.077 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000925694716 619143916 /nfs/dbraw/zinc/14/39/16/619143916.db2.gz SFJJELBDGPSTEE-UHFFFAOYSA-N 2 2 295.858 3.335 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000054080300 619253957 /nfs/dbraw/zinc/25/39/57/619253957.db2.gz LIXALOFBXLHLNO-HIFRSBDPSA-N 2 2 263.429 3.466 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccn2)C2CC2)c2ccccc21 ZINC000925820461 619266194 /nfs/dbraw/zinc/26/61/94/619266194.db2.gz FRJFHQSEJDMVFQ-NJAFHUGGSA-N 2 2 279.387 3.267 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131516 619552181 /nfs/dbraw/zinc/55/21/81/619552181.db2.gz BYKYDPIVCLGNCZ-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131516 619552185 /nfs/dbraw/zinc/55/21/85/619552185.db2.gz BYKYDPIVCLGNCZ-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC000880131516 619552190 /nfs/dbraw/zinc/55/21/90/619552190.db2.gz BYKYDPIVCLGNCZ-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC000880131516 619552193 /nfs/dbraw/zinc/55/21/93/619552193.db2.gz BYKYDPIVCLGNCZ-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706411 619873427 /nfs/dbraw/zinc/87/34/27/619873427.db2.gz KJBQHKOGFBSBGD-DLBZAZTESA-N 2 2 287.407 3.029 20 0 CGADLP C[C@]1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCS1 ZINC000896194449 619966025 /nfs/dbraw/zinc/96/60/25/619966025.db2.gz NDAPVVKZPCRSTO-MRXNPFEDSA-N 2 2 291.464 3.244 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896724758 620049887 /nfs/dbraw/zinc/04/98/87/620049887.db2.gz XOJHJGNRVFRFCQ-HNNXBMFYSA-N 2 2 295.496 3.196 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000898313436 620510949 /nfs/dbraw/zinc/51/09/49/620510949.db2.gz VMVIOFKUNWSQED-JYJNAYRXSA-N 2 2 284.488 3.146 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(SC)cc1)C[NH+](C)C ZINC000926965361 620556791 /nfs/dbraw/zinc/55/67/91/620556791.db2.gz QFGLKNVDUOQXKO-ZFWWWQNUSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000924661234 620557834 /nfs/dbraw/zinc/55/78/34/620557834.db2.gz NWVVODAEKRYXBG-VKJFTORMSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000924661234 620557838 /nfs/dbraw/zinc/55/78/38/620557838.db2.gz NWVVODAEKRYXBG-VKJFTORMSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cc(OCCCc2c[nH+]cn2C)c2ccccc2[nH+]1 ZINC000902358812 621289772 /nfs/dbraw/zinc/28/97/72/621289772.db2.gz LDLWMGCCBKRPLX-UHFFFAOYSA-N 2 2 281.359 3.288 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]CC3([NH3+])CC3)oc2cc1C ZINC000902418017 621310329 /nfs/dbraw/zinc/31/03/29/621310329.db2.gz UJUAUMOOUJIFPN-GFCCVEGCSA-N 2 2 258.365 3.192 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434280 621317346 /nfs/dbraw/zinc/31/73/46/621317346.db2.gz NCIBGRDOIPGXSY-JCURWCKSSA-N 2 2 286.444 3.284 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(OC)cc1 ZINC000902445996 621322533 /nfs/dbraw/zinc/32/25/33/621322533.db2.gz RFCQUEOWWPLIHS-GUDVDZBRSA-N 2 2 296.414 3.361 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902474434 621325103 /nfs/dbraw/zinc/32/51/03/621325103.db2.gz FCOXHBDRMNJUFI-LTIDMASMSA-N 2 2 256.393 3.010 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C2CC2)c1 ZINC000902460017 621335605 /nfs/dbraw/zinc/33/56/05/621335605.db2.gz FHWXXWQAIMPMJR-IAOMBJDPSA-N 2 2 256.393 3.108 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000902467907 621339734 /nfs/dbraw/zinc/33/97/34/621339734.db2.gz RKQOLJLUEUYVQC-ZGKBOVNRSA-N 2 2 296.361 3.222 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006114 621529231 /nfs/dbraw/zinc/52/92/31/621529231.db2.gz DBPYPPKZDPURJP-CZUORRHYSA-N 2 2 285.391 3.090 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903054703 621545326 /nfs/dbraw/zinc/54/53/26/621545326.db2.gz OONFOCSTHFWYBN-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903054703 621545332 /nfs/dbraw/zinc/54/53/32/621545332.db2.gz OONFOCSTHFWYBN-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048936 621554866 /nfs/dbraw/zinc/55/48/66/621554866.db2.gz YXKVKPXRGHFBAR-ZFWWWQNUSA-N 2 2 253.349 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903088445 621566108 /nfs/dbraw/zinc/56/61/08/621566108.db2.gz QVGUZBCDAIWOIZ-GJZGRUSLSA-N 2 2 267.376 3.489 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903071175 621569671 /nfs/dbraw/zinc/56/96/71/621569671.db2.gz FPWKENGIBJORCK-GFCCVEGCSA-N 2 2 261.344 3.271 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000903096188 621586096 /nfs/dbraw/zinc/58/60/96/621586096.db2.gz ANINBXZMWJEULP-USXIJHARSA-N 2 2 290.451 3.273 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccnc1 ZINC000903381174 621722496 /nfs/dbraw/zinc/72/24/96/621722496.db2.gz SLRCQIGHIHPJDQ-OKZBNKHCSA-N 2 2 287.451 3.243 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1cc2ccccc2o1 ZINC000903801078 621811655 /nfs/dbraw/zinc/81/16/55/621811655.db2.gz KNCKWJGLKUFNKZ-PBHICJAKSA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1cc2ccccc2o1 ZINC000903801078 621811657 /nfs/dbraw/zinc/81/16/57/621811657.db2.gz KNCKWJGLKUFNKZ-PBHICJAKSA-N 2 2 270.376 3.136 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000903820746 621815240 /nfs/dbraw/zinc/81/52/40/621815240.db2.gz AZBHENRVWFMMIT-RTBURBONSA-N 2 2 296.414 3.188 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cnc1Cl ZINC000903960173 621837754 /nfs/dbraw/zinc/83/77/54/621837754.db2.gz YEJHHWSCCXZXJZ-INIZCTEOSA-N 2 2 293.842 3.009 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cnc1Cl ZINC000903960173 621837756 /nfs/dbraw/zinc/83/77/56/621837756.db2.gz YEJHHWSCCXZXJZ-INIZCTEOSA-N 2 2 293.842 3.009 20 0 CGADLP Cc1csc([C@H]2CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384856 621917316 /nfs/dbraw/zinc/91/73/16/621917316.db2.gz ODOAOTOPODGPRP-UONOGXRCSA-N 2 2 295.496 3.394 20 0 CGADLP Cc1csc([C@H]2CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384856 621917320 /nfs/dbraw/zinc/91/73/20/621917320.db2.gz ODOAOTOPODGPRP-UONOGXRCSA-N 2 2 295.496 3.394 20 0 CGADLP Fc1cccc([C@H]2C[C@H]2[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000906590796 622251862 /nfs/dbraw/zinc/25/18/62/622251862.db2.gz LSDQTRUYAPUUKU-HZPDHXFCSA-N 2 2 285.366 3.284 20 0 CGADLP C[N@H+](CCC[NH2+][C@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815260 622999142 /nfs/dbraw/zinc/99/91/42/622999142.db2.gz ROJDAXVJTLQETG-KRWDZBQOSA-N 2 2 287.451 3.313 20 0 CGADLP C[N@@H+](CCC[NH2+][C@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815260 622999143 /nfs/dbraw/zinc/99/91/43/622999143.db2.gz ROJDAXVJTLQETG-KRWDZBQOSA-N 2 2 287.451 3.313 20 0 CGADLP C[C@@H](C[NH2+]Cc1csc(C(C)(C)C)n1)Cn1cc[nH+]c1 ZINC000062254272 623210817 /nfs/dbraw/zinc/21/08/17/623210817.db2.gz UZXLNGXQSZTZBY-LBPRGKRZSA-N 2 2 292.452 3.063 20 0 CGADLP CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230699660 623263954 /nfs/dbraw/zinc/26/39/54/623263954.db2.gz GULTVIYDRAUQFH-ZBFHGGJFSA-N 2 2 287.432 3.246 20 0 CGADLP CCCC[NH2+]C[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000915228455 623924125 /nfs/dbraw/zinc/92/41/25/623924125.db2.gz SFSAZVSPPVXJQB-KRWDZBQOSA-N 2 2 262.441 3.329 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000921816593 625888236 /nfs/dbraw/zinc/88/82/36/625888236.db2.gz GLSOQTUSLLGOSD-UONOGXRCSA-N 2 2 281.831 3.006 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000922227085 625986383 /nfs/dbraw/zinc/98/63/83/625986383.db2.gz RCMKXJXEVVRIQE-ZJIFWQFVSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000922227085 625986385 /nfs/dbraw/zinc/98/63/85/625986385.db2.gz RCMKXJXEVVRIQE-ZJIFWQFVSA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000922837471 626054634 /nfs/dbraw/zinc/05/46/34/626054634.db2.gz OPGIBGBMNYCIPW-VXGBXAGGSA-N 2 2 293.461 3.308 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)CC1(C)C ZINC000886197899 626357856 /nfs/dbraw/zinc/35/78/56/626357856.db2.gz PXVOYNYJUFFRGL-NSHDSACASA-N 2 2 272.845 3.364 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)CC1(C)C ZINC000886197899 626357857 /nfs/dbraw/zinc/35/78/57/626357857.db2.gz PXVOYNYJUFFRGL-NSHDSACASA-N 2 2 272.845 3.364 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000760157623 626942229 /nfs/dbraw/zinc/94/22/29/626942229.db2.gz QPUMZSUNUBQREG-LBPRGKRZSA-N 2 2 278.787 3.063 20 0 CGADLP C[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)[NH+]1CCCCC1 ZINC000765251438 627243830 /nfs/dbraw/zinc/24/38/30/627243830.db2.gz FSHUAZVPIPVBNA-RVKKMQEKSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000766273500 627310879 /nfs/dbraw/zinc/31/08/79/627310879.db2.gz PYNHZPAMURBOAY-QAPCUYQASA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000766273500 627310881 /nfs/dbraw/zinc/31/08/81/627310881.db2.gz PYNHZPAMURBOAY-QAPCUYQASA-N 2 2 272.436 3.082 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1C ZINC000766274059 627311032 /nfs/dbraw/zinc/31/10/32/627311032.db2.gz SHXIGEFKJIYLAH-GDBMZVCRSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1C ZINC000766274059 627311034 /nfs/dbraw/zinc/31/10/34/627311034.db2.gz SHXIGEFKJIYLAH-GDBMZVCRSA-N 2 2 260.425 3.438 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)[nH]1 ZINC000768904259 627508697 /nfs/dbraw/zinc/50/86/97/627508697.db2.gz WFXAOQOVYYBOGW-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cncc4ccccc43)C2)[nH]1 ZINC000768904259 627508700 /nfs/dbraw/zinc/50/87/00/627508700.db2.gz WFXAOQOVYYBOGW-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000774380745 627984023 /nfs/dbraw/zinc/98/40/23/627984023.db2.gz SFAITLVWIFZNIA-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000774380745 627984026 /nfs/dbraw/zinc/98/40/26/627984026.db2.gz SFAITLVWIFZNIA-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000776802402 628233077 /nfs/dbraw/zinc/23/30/77/628233077.db2.gz HUXGFXPHGCPYQT-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000776802402 628233081 /nfs/dbraw/zinc/23/30/81/628233081.db2.gz HUXGFXPHGCPYQT-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP C[C@@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CC[NH+](C)CC1 ZINC000777655054 628291501 /nfs/dbraw/zinc/29/15/01/628291501.db2.gz DPLYMRHOAJVZTQ-CQSZACIVSA-N 2 2 287.451 3.211 20 0 CGADLP C[C@@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000777655054 628291505 /nfs/dbraw/zinc/29/15/05/628291505.db2.gz DPLYMRHOAJVZTQ-CQSZACIVSA-N 2 2 287.451 3.211 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCSCC1 ZINC000779010682 628383361 /nfs/dbraw/zinc/38/33/61/628383361.db2.gz FXIBXUFLZFCPJJ-DZGCQCFKSA-N 2 2 295.496 3.419 20 0 CGADLP CC(C)(C)OC1CC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000779018789 628383406 /nfs/dbraw/zinc/38/34/06/628383406.db2.gz HCZJRLIARFDYQQ-NRXISQOPSA-N 2 2 293.455 3.234 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000780527754 628495683 /nfs/dbraw/zinc/49/56/83/628495683.db2.gz CUXFWUYDVIIDIP-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC000780527754 628495686 /nfs/dbraw/zinc/49/56/86/628495686.db2.gz CUXFWUYDVIIDIP-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000785605881 628873527 /nfs/dbraw/zinc/87/35/27/628873527.db2.gz IBEXLOUQYDJERG-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP COC(C)(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000787273463 629006598 /nfs/dbraw/zinc/00/65/98/629006598.db2.gz BUBZCKZIUATHKQ-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806151498 629215349 /nfs/dbraw/zinc/21/53/49/629215349.db2.gz GGOATSUPWZZNQK-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483710 629587876 /nfs/dbraw/zinc/58/78/76/629587876.db2.gz YKHAKZONTCBXJA-ZDUSSCGKSA-N 2 2 298.402 3.376 20 0 CGADLP CCc1[nH+]c(C)cn1C/C=C/Cn1cc(C)[nH+]c1CC ZINC000865394597 630099377 /nfs/dbraw/zinc/09/93/77/630099377.db2.gz QECOVAJOHTZYBD-BQYQJAHWSA-N 2 2 272.396 3.078 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575562 630753204 /nfs/dbraw/zinc/75/32/04/630753204.db2.gz HNADVKQTGSBRSQ-VNHYZAJKSA-N 2 2 293.480 3.358 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575562 630753206 /nfs/dbraw/zinc/75/32/06/630753206.db2.gz HNADVKQTGSBRSQ-VNHYZAJKSA-N 2 2 293.480 3.358 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(C3CC3)o2)cc1 ZINC000809756367 630800659 /nfs/dbraw/zinc/80/06/59/630800659.db2.gz VGWVPUMUSAJRHJ-UHFFFAOYSA-N 2 2 299.418 3.246 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(C3CC3)o2)cc1 ZINC000809756367 630800663 /nfs/dbraw/zinc/80/06/63/630800663.db2.gz VGWVPUMUSAJRHJ-UHFFFAOYSA-N 2 2 299.418 3.246 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)nc(Cl)c1 ZINC000809756323 630801178 /nfs/dbraw/zinc/80/11/78/630801178.db2.gz NOPVNFHLFVLSHP-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)nc(Cl)c1 ZINC000809756323 630801181 /nfs/dbraw/zinc/80/11/81/630801181.db2.gz NOPVNFHLFVLSHP-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766061 630802312 /nfs/dbraw/zinc/80/23/12/630802312.db2.gz TZAFPKIONCQSKH-KDOFPFPSSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766061 630802317 /nfs/dbraw/zinc/80/23/17/630802317.db2.gz TZAFPKIONCQSKH-KDOFPFPSSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc2ccccc2c1 ZINC000809766061 630802320 /nfs/dbraw/zinc/80/23/20/630802320.db2.gz TZAFPKIONCQSKH-KDOFPFPSSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000809766061 630802322 /nfs/dbraw/zinc/80/23/22/630802322.db2.gz TZAFPKIONCQSKH-KDOFPFPSSA-N 2 2 283.419 3.007 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810253813 630860097 /nfs/dbraw/zinc/86/00/97/630860097.db2.gz DJAYSUNTIZEGNF-GXTWGEPZSA-N 2 2 285.391 3.017 20 0 CGADLP ClC1(Cl)C[C@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000822677557 633003843 /nfs/dbraw/zinc/00/38/43/633003843.db2.gz XRKLLWVKAAAGON-LLVKDONJSA-N 2 2 288.222 3.173 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000866213320 633030987 /nfs/dbraw/zinc/03/09/87/633030987.db2.gz UBCUBMJWHOPIJG-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CCn1cc[nH+]c1 ZINC000866215849 633032491 /nfs/dbraw/zinc/03/24/91/633032491.db2.gz MAFGENJXAYWGHX-OAHLLOKOSA-N 2 2 294.402 3.042 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000866230338 633036010 /nfs/dbraw/zinc/03/60/10/633036010.db2.gz ZYXCGTCOIAEXNW-GOSISDBHSA-N 2 2 298.434 3.144 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361190 633101578 /nfs/dbraw/zinc/10/15/78/633101578.db2.gz KXZSLILVBMCKON-CDNVCLAFSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866581678 633202059 /nfs/dbraw/zinc/20/20/59/633202059.db2.gz AICXLXQNIHIGMJ-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866581678 633202063 /nfs/dbraw/zinc/20/20/63/633202063.db2.gz AICXLXQNIHIGMJ-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866581678 633202065 /nfs/dbraw/zinc/20/20/65/633202065.db2.gz AICXLXQNIHIGMJ-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866581678 633202069 /nfs/dbraw/zinc/20/20/69/633202069.db2.gz AICXLXQNIHIGMJ-IVMMDQJWSA-N 2 2 278.827 3.427 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1Cl ZINC000866667027 633229839 /nfs/dbraw/zinc/22/98/39/633229839.db2.gz YUXHSGRLQZDUQX-DZGCQCFKSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1Cl ZINC000866667027 633229841 /nfs/dbraw/zinc/22/98/41/633229841.db2.gz YUXHSGRLQZDUQX-DZGCQCFKSA-N 2 2 293.842 3.007 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000828210726 633585741 /nfs/dbraw/zinc/58/57/41/633585741.db2.gz ACYFMMDEFWYDKE-YOEHRIQHSA-N 2 2 287.407 3.194 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872017922 633938031 /nfs/dbraw/zinc/93/80/31/633938031.db2.gz GZNXXXWUIBDTBO-LBPRGKRZSA-N 2 2 280.387 3.056 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872022862 633943444 /nfs/dbraw/zinc/94/34/44/633943444.db2.gz MBAUSLMUDKXXPI-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872022862 633943449 /nfs/dbraw/zinc/94/34/49/633943449.db2.gz MBAUSLMUDKXXPI-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+](C)C(C)C ZINC000872030883 633949684 /nfs/dbraw/zinc/94/96/84/633949684.db2.gz KGLJISMPEIEESN-LLVKDONJSA-N 2 2 254.340 3.037 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+](C)C(C)C ZINC000872030883 633949693 /nfs/dbraw/zinc/94/96/93/633949693.db2.gz KGLJISMPEIEESN-LLVKDONJSA-N 2 2 254.340 3.037 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC(C)(C)OC1(C)C ZINC000878177690 635396676 /nfs/dbraw/zinc/39/66/76/635396676.db2.gz ZFVTXEJCCCOGES-OAGGEKHMSA-N 2 2 294.483 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC(C)(C)OC1(C)C ZINC000878177690 635396684 /nfs/dbraw/zinc/39/66/84/635396684.db2.gz ZFVTXEJCCCOGES-OAGGEKHMSA-N 2 2 294.483 3.139 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC(C)(C)OC1(C)C ZINC000878177690 635396693 /nfs/dbraw/zinc/39/66/93/635396693.db2.gz ZFVTXEJCCCOGES-OAGGEKHMSA-N 2 2 294.483 3.139 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC(C)(C)OC1(C)C ZINC000878177690 635396703 /nfs/dbraw/zinc/39/67/03/635396703.db2.gz ZFVTXEJCCCOGES-OAGGEKHMSA-N 2 2 294.483 3.139 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000842846494 635495504 /nfs/dbraw/zinc/49/55/04/635495504.db2.gz NHKVBXJCJKIEDH-DOTOQJQBSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000842846494 635495505 /nfs/dbraw/zinc/49/55/05/635495505.db2.gz NHKVBXJCJKIEDH-DOTOQJQBSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+](Cc1nocc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058359 635691709 /nfs/dbraw/zinc/69/17/09/635691709.db2.gz NQNQAQFTIYNIJK-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC[N@@H+](Cc1nocc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058359 635691715 /nfs/dbraw/zinc/69/17/15/635691715.db2.gz NQNQAQFTIYNIJK-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140323 635922433 /nfs/dbraw/zinc/92/24/33/635922433.db2.gz AXWJWZYQLIBQJX-HZPDHXFCSA-N 2 2 278.827 3.051 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140323 635922437 /nfs/dbraw/zinc/92/24/37/635922437.db2.gz AXWJWZYQLIBQJX-HZPDHXFCSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccc(Cl)cc1 ZINC000880140323 635922441 /nfs/dbraw/zinc/92/24/41/635922441.db2.gz AXWJWZYQLIBQJX-HZPDHXFCSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1ccc(Cl)cc1 ZINC000880140323 635922445 /nfs/dbraw/zinc/92/24/45/635922445.db2.gz AXWJWZYQLIBQJX-HZPDHXFCSA-N 2 2 278.827 3.051 20 0 CGADLP CCCCOCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568491 636022707 /nfs/dbraw/zinc/02/27/07/636022707.db2.gz AJGOTSXMGIXMNH-QGZVFWFLSA-N 2 2 287.407 3.031 20 0 CGADLP COC1(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880569840 636022893 /nfs/dbraw/zinc/02/28/93/636022893.db2.gz QIPHLHMHKPMAJN-KRWDZBQOSA-N 2 2 299.418 3.173 20 0 CGADLP CC(C)SCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568589 636023044 /nfs/dbraw/zinc/02/30/44/636023044.db2.gz AYAAJLHLSAMTFG-INIZCTEOSA-N 2 2 289.448 3.356 20 0 CGADLP CCOC1CC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568580 636023244 /nfs/dbraw/zinc/02/32/44/636023244.db2.gz AOQACDPKSJPTLN-VJFUWPCTSA-N 2 2 299.418 3.029 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829986 636253069 /nfs/dbraw/zinc/25/30/69/636253069.db2.gz VHQDBAUILDWIBE-RISCZKNCSA-N 2 2 299.821 3.036 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829986 636253073 /nfs/dbraw/zinc/25/30/73/636253073.db2.gz VHQDBAUILDWIBE-RISCZKNCSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829986 636253078 /nfs/dbraw/zinc/25/30/78/636253078.db2.gz VHQDBAUILDWIBE-RISCZKNCSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(F)c2)[C@H](C)C1 ZINC000846829986 636253086 /nfs/dbraw/zinc/25/30/86/636253086.db2.gz VHQDBAUILDWIBE-RISCZKNCSA-N 2 2 299.821 3.036 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848569216 636611651 /nfs/dbraw/zinc/61/16/51/636611651.db2.gz XMDCLCHXRLSVCC-YHUYYLMFSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848569216 636611654 /nfs/dbraw/zinc/61/16/54/636611654.db2.gz XMDCLCHXRLSVCC-YHUYYLMFSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883346821 636690457 /nfs/dbraw/zinc/69/04/57/636690457.db2.gz HETWIFXLZRIPTJ-FHLIZLRMSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883346821 636690460 /nfs/dbraw/zinc/69/04/60/636690460.db2.gz HETWIFXLZRIPTJ-FHLIZLRMSA-N 2 2 285.435 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421465 637055210 /nfs/dbraw/zinc/05/52/10/637055210.db2.gz VXWUSLBHFJREOI-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421465 637055212 /nfs/dbraw/zinc/05/52/12/637055212.db2.gz VXWUSLBHFJREOI-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1coc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000886010634 637359379 /nfs/dbraw/zinc/35/93/79/637359379.db2.gz MIIHYYIXFLISET-UHFFFAOYSA-N 2 2 262.397 3.085 20 0 CGADLP Cc1cnc([C@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)o1 ZINC000886662587 637638498 /nfs/dbraw/zinc/63/84/98/637638498.db2.gz HDLDCNAVHOQPJF-ZDUSSCGKSA-N 2 2 288.395 3.264 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000223146675 637850668 /nfs/dbraw/zinc/85/06/68/637850668.db2.gz YYGFZDUFPPTIEV-PBHICJAKSA-N 2 2 280.431 3.323 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)n2)CC1 ZINC000924580338 638367032 /nfs/dbraw/zinc/36/70/32/638367032.db2.gz VWLFKXRNBVOUSP-OAHLLOKOSA-N 2 2 291.439 3.005 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[nH+]c1 ZINC000924925004 638425956 /nfs/dbraw/zinc/42/59/56/638425956.db2.gz DXJFLFOQJWQHJT-ARFHVFGLSA-N 2 2 271.408 3.218 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169298 638466800 /nfs/dbraw/zinc/46/68/00/638466800.db2.gz GWIKSZDNCPDUDZ-CABCVRRESA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169298 638466803 /nfs/dbraw/zinc/46/68/03/638466803.db2.gz GWIKSZDNCPDUDZ-CABCVRRESA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1C1CCC1 ZINC000925230430 638481548 /nfs/dbraw/zinc/48/15/48/638481548.db2.gz BBYIJDLUVHLNGA-AWEZNQCLSA-N 2 2 299.422 3.156 20 0 CGADLP Fc1ccc(C2([NH2+][C@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925596746 638540116 /nfs/dbraw/zinc/54/01/16/638540116.db2.gz WHTKCEWMHRDJQX-HNNXBMFYSA-N 2 2 274.383 3.079 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000925602046 638542890 /nfs/dbraw/zinc/54/28/90/638542890.db2.gz QYCOIRKLFCMAEF-PBHICJAKSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH3+])[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000925693163 638571404 /nfs/dbraw/zinc/57/14/04/638571404.db2.gz OUXZCUDBDGBTCQ-SJCJKPOMSA-N 2 2 267.376 3.155 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)noc2c1 ZINC000925709833 638575296 /nfs/dbraw/zinc/57/52/96/638575296.db2.gz ADPDTMHNMFIJJJ-HOTGVXAUSA-N 2 2 299.418 3.086 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])nc1 ZINC000925719605 638578977 /nfs/dbraw/zinc/57/89/77/638578977.db2.gz POWXVYMZMAAMLQ-YJBOKZPZSA-N 2 2 297.446 3.346 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000925758921 638599973 /nfs/dbraw/zinc/59/99/73/638599973.db2.gz IGBAJOZEDOBVIY-HNNXBMFYSA-N 3 2 298.434 3.137 20 0 CGADLP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1c3ccccc3CC[C@H]1F)[NH2+]2 ZINC000925772076 638607194 /nfs/dbraw/zinc/60/71/94/638607194.db2.gz PWQMHEXKLJUFDB-UOXUNFCQSA-N 2 2 288.410 3.131 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](C1CCC1)C1CCCC1)CC2 ZINC000926229267 638747552 /nfs/dbraw/zinc/74/75/52/638747552.db2.gz LOBFKVAPBBMEMK-NVXWUHKLSA-N 2 2 273.424 3.146 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(Cl)Cl ZINC000926520992 638781130 /nfs/dbraw/zinc/78/11/30/638781130.db2.gz SMCIWLARPSHBAY-JHJVBQTASA-N 2 2 291.266 3.177 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(Cl)Cl ZINC000926520992 638781132 /nfs/dbraw/zinc/78/11/32/638781132.db2.gz SMCIWLARPSHBAY-JHJVBQTASA-N 2 2 291.266 3.177 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@]1(F)Cl ZINC000926653012 638795087 /nfs/dbraw/zinc/79/50/87/638795087.db2.gz ZWFXWIAUKNELSM-APIJFGDWSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@]1(F)Cl ZINC000926653012 638795088 /nfs/dbraw/zinc/79/50/88/638795088.db2.gz ZWFXWIAUKNELSM-APIJFGDWSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccns1 ZINC000926861824 638818781 /nfs/dbraw/zinc/81/87/81/638818781.db2.gz CCMKXVMGNWJWKN-DZGCQCFKSA-N 2 2 298.415 3.432 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](C[NH+](C)C)OCC)c1ccsc1 ZINC000926963861 638829371 /nfs/dbraw/zinc/82/93/71/638829371.db2.gz VLPHPMXGIANLNK-HUUCEWRRSA-N 2 2 284.469 3.146 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791593 638952302 /nfs/dbraw/zinc/95/23/02/638952302.db2.gz UEHPCNVEOPPWCO-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791593 638952305 /nfs/dbraw/zinc/95/23/05/638952305.db2.gz UEHPCNVEOPPWCO-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791593 638952306 /nfs/dbraw/zinc/95/23/06/638952306.db2.gz UEHPCNVEOPPWCO-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791593 638952308 /nfs/dbraw/zinc/95/23/08/638952308.db2.gz UEHPCNVEOPPWCO-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000929821218 638954354 /nfs/dbraw/zinc/95/43/54/638954354.db2.gz JLHYWMGFOSZJBQ-INIZCTEOSA-N 2 2 298.434 3.257 20 0 CGADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000929821218 638954356 /nfs/dbraw/zinc/95/43/56/638954356.db2.gz JLHYWMGFOSZJBQ-INIZCTEOSA-N 2 2 298.434 3.257 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccns2)CC1 ZINC000931466960 639155841 /nfs/dbraw/zinc/15/58/41/639155841.db2.gz ZSWDLBFVZGLMCA-UHFFFAOYSA-N 2 2 293.480 3.026 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000931518990 639164117 /nfs/dbraw/zinc/16/41/17/639164117.db2.gz POJZFJZPUQVXAA-UHFFFAOYSA-N 2 2 289.329 3.160 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000931518990 639164118 /nfs/dbraw/zinc/16/41/18/639164118.db2.gz POJZFJZPUQVXAA-UHFFFAOYSA-N 2 2 289.329 3.160 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931724657 639197070 /nfs/dbraw/zinc/19/70/70/639197070.db2.gz FNQXITASPZDPGS-OAGGEKHMSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931724657 639197073 /nfs/dbraw/zinc/19/70/73/639197073.db2.gz FNQXITASPZDPGS-OAGGEKHMSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724657 639197075 /nfs/dbraw/zinc/19/70/75/639197075.db2.gz FNQXITASPZDPGS-OAGGEKHMSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931724657 639197078 /nfs/dbraw/zinc/19/70/78/639197078.db2.gz FNQXITASPZDPGS-OAGGEKHMSA-N 2 2 258.409 3.225 20 0 CGADLP CC(C)=CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000188443948 640136123 /nfs/dbraw/zinc/13/61/23/640136123.db2.gz VNVRNMQRENGUNZ-UHFFFAOYSA-N 2 2 287.451 3.277 20 0 CGADLP CCC(O)(CC)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189907521 640212784 /nfs/dbraw/zinc/21/27/84/640212784.db2.gz ALJFDSDMLBAQRC-CQSZACIVSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001156002046 805638656 /nfs/dbraw/zinc/63/86/56/805638656.db2.gz NOOPAALQTMFBRL-UHFFFAOYSA-N 2 2 278.359 3.366 20 0 CGADLP CC/C=C\CCc1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250566536 805698845 /nfs/dbraw/zinc/69/88/45/805698845.db2.gz IBCADPGXPACVOC-PLNGDYQASA-N 2 2 298.434 3.214 20 0 CGADLP Cc1ccc2nc(Cl)cc(NC(=[NH2+])SCC[NH3+])c2c1 ZINC001157128981 805778959 /nfs/dbraw/zinc/77/89/59/805778959.db2.gz URECJTAZFCTHJA-UHFFFAOYSA-N 2 2 294.811 3.235 20 0 CGADLP Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc(C2CCCCC2)[nH+]1 ZINC001158176097 805925768 /nfs/dbraw/zinc/92/57/68/805925768.db2.gz CONUEOWJFHCJQH-STQMWFEESA-N 2 2 288.439 3.019 20 0 CGADLP CC1(C)C[C@H](Nc2cc(N)cc(Cl)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158264507 805931284 /nfs/dbraw/zinc/93/12/84/805931284.db2.gz CDCCNOCFXNPDJB-NHYWBVRUSA-N 2 2 296.846 3.273 20 0 CGADLP FC(F)(F)c1ccc2c(NC3=CC[NH2+]C3)cc[nH+]c2c1 ZINC001159145125 806052300 /nfs/dbraw/zinc/05/23/00/806052300.db2.gz VJSUJMXMNDMPAW-UHFFFAOYSA-N 2 2 279.265 3.153 20 0 CGADLP Clc1ccc2c(NC3=CCC[NH2+]C3)cc[nH+]c2c1 ZINC001159255109 806067976 /nfs/dbraw/zinc/06/79/76/806067976.db2.gz YSDVNQBCWPHTSF-UHFFFAOYSA-N 2 2 259.740 3.177 20 0 CGADLP Cc1cc(C)cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1 ZINC001159321362 806082761 /nfs/dbraw/zinc/08/27/61/806082761.db2.gz KTFCCNVIBJWQEE-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP CSc1cc(Nc2cccc3c2CC[NH2+]C3)cc[nH+]1 ZINC001159371290 806088293 /nfs/dbraw/zinc/08/82/93/806088293.db2.gz GXXIJWZFRIBTMS-UHFFFAOYSA-N 2 2 271.389 3.193 20 0 CGADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159505553 806115044 /nfs/dbraw/zinc/11/50/44/806115044.db2.gz WYMPHTZZJSLFCU-MRXNPFEDSA-N 2 2 292.386 3.341 20 0 CGADLP Cc1cc(Nc2cccc3c2C[NH2+]C3)ccc1[NH+](C)C ZINC001159767265 806168045 /nfs/dbraw/zinc/16/80/45/806168045.db2.gz OSDHZKYWAQPRGH-UHFFFAOYSA-N 2 2 267.376 3.408 20 0 CGADLP CCCc1cc(-n2ccc3cccc(C[NH3+])c32)nc(C)[nH+]1 ZINC001160460498 806273841 /nfs/dbraw/zinc/27/38/41/806273841.db2.gz GUISDDYWAYDMRP-UHFFFAOYSA-N 2 2 280.375 3.140 20 0 CGADLP CC(C)(C)C[NH+]1CCC(Nc2cc(N)cc(Cl)[nH+]2)CC1 ZINC001161206996 806358057 /nfs/dbraw/zinc/35/80/57/806358057.db2.gz FWJMHJMKHMGZRH-UHFFFAOYSA-N 2 2 296.846 3.240 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC001254503648 806423610 /nfs/dbraw/zinc/42/36/10/806423610.db2.gz OFYUHHGDPHOKAV-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC001254503648 806423611 /nfs/dbraw/zinc/42/36/11/806423611.db2.gz OFYUHHGDPHOKAV-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840239 806494926 /nfs/dbraw/zinc/49/49/26/806494926.db2.gz DNPMCRSZIAQPCD-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847049 806496959 /nfs/dbraw/zinc/49/69/59/806496959.db2.gz CGMNBIBOAUYNEN-SUMWQHHRSA-N 2 2 292.854 3.345 20 0 CGADLP CCc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)nc(CC)[nH+]1 ZINC001162078889 806503407 /nfs/dbraw/zinc/50/34/07/806503407.db2.gz OONSEOHRKPWDBZ-OAHLLOKOSA-N 2 2 290.455 3.134 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2ccc(C)c(C)[nH+]2)c1 ZINC001162129885 806509685 /nfs/dbraw/zinc/50/96/85/806509685.db2.gz RFFHWSXUTHFXLN-UHFFFAOYSA-N 2 2 285.391 3.492 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1C=CCCC1 ZINC001255287666 806594287 /nfs/dbraw/zinc/59/42/87/806594287.db2.gz CAABIHSKJYXYIL-AWEZNQCLSA-N 2 2 296.374 3.261 20 0 CGADLP CCCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001255332957 806618783 /nfs/dbraw/zinc/61/87/83/806618783.db2.gz GCMXZJHTDIMFEY-LSDHHAIUSA-N 2 2 262.397 3.422 20 0 CGADLP CCCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001255332957 806618786 /nfs/dbraw/zinc/61/87/86/806618786.db2.gz GCMXZJHTDIMFEY-LSDHHAIUSA-N 2 2 262.397 3.422 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000037997523 798883702 /nfs/dbraw/zinc/88/37/02/798883702.db2.gz KSTCWOYHMACMIE-ZDUSSCGKSA-N 2 2 282.378 3.176 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001255698446 806709564 /nfs/dbraw/zinc/70/95/64/806709564.db2.gz WSUXIAJNWOYKNJ-IHRRRGAJSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001255698446 806709572 /nfs/dbraw/zinc/70/95/72/806709572.db2.gz WSUXIAJNWOYKNJ-IHRRRGAJSA-N 2 2 290.373 3.181 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001255750412 806733940 /nfs/dbraw/zinc/73/39/40/806733940.db2.gz OWGUORNOOJNELD-ZIAGYGMSSA-N 2 2 266.454 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000380367136 799362945 /nfs/dbraw/zinc/36/29/45/799362945.db2.gz KPVFHNWYMPUKKC-INIZCTEOSA-N 2 2 289.810 3.059 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000380367136 799362952 /nfs/dbraw/zinc/36/29/52/799362952.db2.gz KPVFHNWYMPUKKC-INIZCTEOSA-N 2 2 289.810 3.059 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000381056704 799370426 /nfs/dbraw/zinc/37/04/26/799370426.db2.gz LTVPPDIQSDRBOE-BEKKDYQOSA-N 2 2 288.460 3.056 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC001255773518 806744404 /nfs/dbraw/zinc/74/44/04/806744404.db2.gz ZANAKXUJMUCFEV-QGZVFWFLSA-N 2 2 274.452 3.248 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795727 799386618 /nfs/dbraw/zinc/38/66/18/799386618.db2.gz SXAQUAJLUWEIRK-QMTHXVAHSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795727 799386624 /nfs/dbraw/zinc/38/66/24/799386624.db2.gz SXAQUAJLUWEIRK-QMTHXVAHSA-N 2 2 277.799 3.133 20 0 CGADLP Cc1cc(N2C[C@@H](C[NH3+])CC[C@@H]2C)[nH+]c2ccccc12 ZINC000383699255 799406805 /nfs/dbraw/zinc/40/68/05/799406805.db2.gz APWJOFCXFVRDPE-UONOGXRCSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)cc1 ZINC001255782545 806749762 /nfs/dbraw/zinc/74/97/62/806749762.db2.gz BEMRRBQWMMCIGR-OAHLLOKOSA-N 2 2 279.387 3.364 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccoc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887611 799523306 /nfs/dbraw/zinc/52/33/06/799523306.db2.gz JXJZOGZGLJLGFV-SFHVURJKSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccoc2)CCC[N@H+]1Cc1ccccc1 ZINC000397887611 799523309 /nfs/dbraw/zinc/52/33/09/799523309.db2.gz JXJZOGZGLJLGFV-SFHVURJKSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@H](Cc1ccccc1F)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255853895 806768767 /nfs/dbraw/zinc/76/87/67/806768767.db2.gz MRZKSHJHWKRPPT-UKRRQHHQSA-N 2 2 287.382 3.293 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255861122 806773116 /nfs/dbraw/zinc/77/31/16/806773116.db2.gz SIJGYCSFIAPWSD-HOTGVXAUSA-N 2 2 292.442 3.467 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000692978831 799805941 /nfs/dbraw/zinc/80/59/41/799805941.db2.gz RSTCQOGIYFHPPO-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000692978831 799805944 /nfs/dbraw/zinc/80/59/44/799805944.db2.gz RSTCQOGIYFHPPO-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693905050 799817556 /nfs/dbraw/zinc/81/75/56/799817556.db2.gz AQLRETNWSPRSBV-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693905050 799817563 /nfs/dbraw/zinc/81/75/63/799817563.db2.gz AQLRETNWSPRSBV-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cccc(C)n1 ZINC001255942808 806790898 /nfs/dbraw/zinc/79/08/98/806790898.db2.gz BHUHORYISCAUGB-GJZGRUSLSA-N 2 2 263.429 3.161 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000712580819 800094928 /nfs/dbraw/zinc/09/49/28/800094928.db2.gz LAAIQGABSASRGZ-VIFPVBQESA-N 2 2 294.748 3.446 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001255969213 806802844 /nfs/dbraw/zinc/80/28/44/806802844.db2.gz VNOFAGSKCAZFNA-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001255969213 806802852 /nfs/dbraw/zinc/80/28/52/806802852.db2.gz VNOFAGSKCAZFNA-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000714754396 800128052 /nfs/dbraw/zinc/12/80/52/800128052.db2.gz TVXUVACCGSNNAO-UHFFFAOYSA-N 2 2 282.815 3.052 20 0 CGADLP CCC[C@@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077386 806814589 /nfs/dbraw/zinc/81/45/89/806814589.db2.gz NQJVEUYNALIWKP-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP CCC[C@@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077386 806814595 /nfs/dbraw/zinc/81/45/95/806814595.db2.gz NQJVEUYNALIWKP-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP c1ccc(C[N@H+](C2CC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081163 806817127 /nfs/dbraw/zinc/81/71/27/806817127.db2.gz QPPZIGGGTYOTQJ-UHFFFAOYSA-N 2 2 270.420 3.278 20 0 CGADLP c1ccc(C[N@@H+](C2CC2)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256081163 806817135 /nfs/dbraw/zinc/81/71/35/806817135.db2.gz QPPZIGGGTYOTQJ-UHFFFAOYSA-N 2 2 270.420 3.278 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720834369 800268205 /nfs/dbraw/zinc/26/82/05/800268205.db2.gz JDQWKCHNGSFXCX-MFKMUULPSA-N 2 2 284.350 3.018 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720834369 800268214 /nfs/dbraw/zinc/26/82/14/800268214.db2.gz JDQWKCHNGSFXCX-MFKMUULPSA-N 2 2 284.350 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536854 806912189 /nfs/dbraw/zinc/91/21/89/806912189.db2.gz GTGLRYQVZORNBG-WBVHZDCISA-N 2 2 290.476 3.088 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536854 806912194 /nfs/dbraw/zinc/91/21/94/806912194.db2.gz GTGLRYQVZORNBG-WBVHZDCISA-N 2 2 290.476 3.088 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001256569405 806918461 /nfs/dbraw/zinc/91/84/61/806918461.db2.gz DOJXOWVOACQCSE-OAHLLOKOSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001256569405 806918464 /nfs/dbraw/zinc/91/84/64/806918464.db2.gz DOJXOWVOACQCSE-OAHLLOKOSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC001256569701 806919368 /nfs/dbraw/zinc/91/93/68/806919368.db2.gz NQCQUOISXWHILW-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC001256569701 806919369 /nfs/dbraw/zinc/91/93/69/806919369.db2.gz NQCQUOISXWHILW-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(-c2ccccc2)cc[nH+]1 ZINC001164462373 806951718 /nfs/dbraw/zinc/95/17/18/806951718.db2.gz OADOQQZBUMPIOD-HUUCEWRRSA-N 2 2 281.403 3.312 20 0 CGADLP CC[NH+]1CCC(N(C)c2[nH+]ccc3ccc(C)cc32)CC1 ZINC001165067839 806968166 /nfs/dbraw/zinc/96/81/66/806968166.db2.gz KSAXFCFDUHOWLD-UHFFFAOYSA-N 2 2 283.419 3.464 20 0 CGADLP Cc1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)[nH+]c1C ZINC001165123019 806970443 /nfs/dbraw/zinc/97/04/43/806970443.db2.gz WLCMIFFQJITATH-UHFFFAOYSA-N 2 2 293.414 3.021 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC001116288102 802324341 /nfs/dbraw/zinc/32/43/41/802324341.db2.gz CHWAFWNZQMWVIH-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC001116288102 802324351 /nfs/dbraw/zinc/32/43/51/802324351.db2.gz CHWAFWNZQMWVIH-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001116694085 802396722 /nfs/dbraw/zinc/39/67/22/802396722.db2.gz HNFQCARHQZEFPH-JSGCOSHPSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306637 812945769 /nfs/dbraw/zinc/94/57/69/812945769.db2.gz YNLZGIDLQHUWKT-ZYHUDNBSSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306637 812945772 /nfs/dbraw/zinc/94/57/72/812945772.db2.gz YNLZGIDLQHUWKT-ZYHUDNBSSA-N 2 2 284.806 3.204 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c(C)c1 ZINC001138437363 803935679 /nfs/dbraw/zinc/93/56/79/803935679.db2.gz VHESOSPPTSJGRT-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC001138547015 803965466 /nfs/dbraw/zinc/96/54/66/803965466.db2.gz AXSMRKXACKJJOU-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC001138547015 803965469 /nfs/dbraw/zinc/96/54/69/803965469.db2.gz AXSMRKXACKJJOU-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138824590 804048829 /nfs/dbraw/zinc/04/88/29/804048829.db2.gz FMQSIDUUMONLIG-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138824590 804048839 /nfs/dbraw/zinc/04/88/39/804048839.db2.gz FMQSIDUUMONLIG-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246078055 804116190 /nfs/dbraw/zinc/11/61/90/804116190.db2.gz ZLDGGQGZTLLZLK-AYOQOUSVSA-N 2 2 280.415 3.310 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246087605 804120638 /nfs/dbraw/zinc/12/06/38/804120638.db2.gz GNTXOPPZCNPMIQ-HOTGVXAUSA-N 2 2 270.461 3.094 20 0 CGADLP CCCCCC(CCCCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090764 804121859 /nfs/dbraw/zinc/12/18/59/804121859.db2.gz ZCFOECLLAYRGKC-INIZCTEOSA-N 2 2 270.461 3.094 20 0 CGADLP CCCCCC1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC001246090547 804122312 /nfs/dbraw/zinc/12/23/12/804122312.db2.gz BCUJUYLBZNFLIA-GRAKBVBRSA-N 2 2 270.436 3.415 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246094128 804127218 /nfs/dbraw/zinc/12/72/18/804127218.db2.gz HXTKAVMCQKKFIL-QDMKHBRRSA-N 2 2 282.378 3.364 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144761 804166953 /nfs/dbraw/zinc/16/69/53/804166953.db2.gz UYLKNYOUANKPLC-AHCXZYCDSA-N 2 2 290.451 3.273 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246146346 804168073 /nfs/dbraw/zinc/16/80/73/804168073.db2.gz ZZPMMYJPDQPYCQ-OAGGEKHMSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c1F ZINC001246164162 804180637 /nfs/dbraw/zinc/18/06/37/804180637.db2.gz TZWFRHNHXZNMNN-DOMZBBRYSA-N 2 2 282.378 3.139 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC001139356155 804181708 /nfs/dbraw/zinc/18/17/08/804181708.db2.gz FZXOVSCUJCWCIZ-IAGOWNOFSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC001139356155 804181710 /nfs/dbraw/zinc/18/17/10/804181710.db2.gz FZXOVSCUJCWCIZ-IAGOWNOFSA-N 2 2 281.403 3.494 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC001246170776 804185850 /nfs/dbraw/zinc/18/58/50/804185850.db2.gz SVPMRIFOELIKRP-HUUCEWRRSA-N 2 2 278.465 3.207 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246226702 804220939 /nfs/dbraw/zinc/22/09/39/804220939.db2.gz TVDGLUSTPDFGTG-ZIAGYGMSSA-N 2 2 282.378 3.365 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)C[C@H](CC)[NH2+]1 ZINC001246278590 804254866 /nfs/dbraw/zinc/25/48/66/804254866.db2.gz LKGIORHQWVCNOB-HLPPOEQASA-N 2 2 292.398 3.158 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C[NH2+]1 ZINC001246281968 804256570 /nfs/dbraw/zinc/25/65/70/804256570.db2.gz XUBFIGPSGNDVLQ-RIYRZUHRSA-N 2 2 294.389 3.342 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246295951 804263546 /nfs/dbraw/zinc/26/35/46/804263546.db2.gz ZWOCBHACNQWNEI-XOKHGSTOSA-N 2 2 258.409 3.258 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309798 804271739 /nfs/dbraw/zinc/27/17/39/804271739.db2.gz XUMMTOWFEKCMKN-HYVNUMGLSA-N 2 2 260.425 3.485 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335764 804291021 /nfs/dbraw/zinc/29/10/21/804291021.db2.gz ICRWEIRKOOAXKD-DLBZAZTESA-N 2 2 292.492 3.083 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC001139873027 804305906 /nfs/dbraw/zinc/30/59/06/804305906.db2.gz WRMUSMHSJYHVMF-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC001139873027 804305915 /nfs/dbraw/zinc/30/59/15/804305915.db2.gz WRMUSMHSJYHVMF-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC[N@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139882894 804310690 /nfs/dbraw/zinc/31/06/90/804310690.db2.gz UOZHBLWNVOKCOB-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP CC[N@@H+](Cc1ccccc1C1CC1)C1CC[NH+](C)CC1 ZINC001139882894 804310698 /nfs/dbraw/zinc/31/06/98/804310698.db2.gz UOZHBLWNVOKCOB-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP Fc1cccc([C@@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246410233 804323292 /nfs/dbraw/zinc/32/32/92/804323292.db2.gz ZIHOHRQKIJTTKE-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246468905 804347434 /nfs/dbraw/zinc/34/74/34/804347434.db2.gz LVSCKGLJHYRYBO-XOKHGSTOSA-N 2 2 260.425 3.430 20 0 CGADLP CCCO[C@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028411 804356182 /nfs/dbraw/zinc/35/61/82/804356182.db2.gz VJFDBRRHNKISIO-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP CCCO[C@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028411 804356190 /nfs/dbraw/zinc/35/61/90/804356190.db2.gz VJFDBRRHNKISIO-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1Cl ZINC001246487033 804357708 /nfs/dbraw/zinc/35/77/08/804357708.db2.gz CDMMSVCKQHAVPP-YIBTVLSRSA-N 2 2 282.790 3.413 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC001246506808 804364919 /nfs/dbraw/zinc/36/49/19/804364919.db2.gz KYOLPQQWRSLXLG-QGZVFWFLSA-N 2 2 288.435 3.015 20 0 CGADLP CC1(C)CC([NH2+][C@H](C[NH3+])c2ccccc2)CC(C)(C)O1 ZINC001246508726 804368101 /nfs/dbraw/zinc/36/81/01/804368101.db2.gz YAGITNGVLZBYKH-OAHLLOKOSA-N 2 2 276.424 3.012 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001246520894 804374266 /nfs/dbraw/zinc/37/42/66/804374266.db2.gz ASQYNUALNGAYKE-CYBMUJFWSA-N 2 2 284.469 3.221 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001246520894 804374273 /nfs/dbraw/zinc/37/42/73/804374273.db2.gz ASQYNUALNGAYKE-CYBMUJFWSA-N 2 2 284.469 3.221 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536479 804385797 /nfs/dbraw/zinc/38/57/97/804385797.db2.gz FXNOCUBDPRAMMY-SJORKVTESA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536479 804385804 /nfs/dbraw/zinc/38/58/04/804385804.db2.gz FXNOCUBDPRAMMY-SJORKVTESA-N 2 2 292.854 3.475 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246561784 804409433 /nfs/dbraw/zinc/40/94/33/804409433.db2.gz LSVWMVKIJUEASW-HOTGVXAUSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246561784 804409439 /nfs/dbraw/zinc/40/94/39/804409439.db2.gz LSVWMVKIJUEASW-HOTGVXAUSA-N 2 2 262.372 3.105 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573417 804420336 /nfs/dbraw/zinc/42/03/36/804420336.db2.gz CERLKFDGIOPZOB-LSDHHAIUSA-N 2 2 256.409 3.274 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573417 804420329 /nfs/dbraw/zinc/42/03/29/804420329.db2.gz CERLKFDGIOPZOB-LSDHHAIUSA-N 2 2 256.409 3.274 20 0 CGADLP CCCCCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580447 804425581 /nfs/dbraw/zinc/42/55/81/804425581.db2.gz MVOAPTABBVZBGA-CABCVRRESA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580447 804425586 /nfs/dbraw/zinc/42/55/86/804425586.db2.gz MVOAPTABBVZBGA-CABCVRRESA-N 2 2 258.425 3.498 20 0 CGADLP CC(C)CCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585257 804427787 /nfs/dbraw/zinc/42/77/87/804427787.db2.gz ZQQYNIPXPUCIJK-HUUCEWRRSA-N 2 2 258.425 3.354 20 0 CGADLP CC(C)CCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585257 804427789 /nfs/dbraw/zinc/42/77/89/804427789.db2.gz ZQQYNIPXPUCIJK-HUUCEWRRSA-N 2 2 258.425 3.354 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246606314 804441500 /nfs/dbraw/zinc/44/15/00/804441500.db2.gz DSDZAKNZNRYYDU-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246606314 804441506 /nfs/dbraw/zinc/44/15/06/804441506.db2.gz DSDZAKNZNRYYDU-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001246609443 804443147 /nfs/dbraw/zinc/44/31/47/804443147.db2.gz YOFSYPVLMARAIH-HNNXBMFYSA-N 2 2 290.476 3.161 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(O)c(C)c2)C1 ZINC001140579781 804466498 /nfs/dbraw/zinc/46/64/98/804466498.db2.gz GCZPBQFYLTVGSK-INIZCTEOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2)C1 ZINC001140579781 804466502 /nfs/dbraw/zinc/46/65/02/804466502.db2.gz GCZPBQFYLTVGSK-INIZCTEOSA-N 2 2 298.386 3.057 20 0 CGADLP C[C@]1(F)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802562 804519924 /nfs/dbraw/zinc/51/99/24/804519924.db2.gz ZECUJEQYZRCSMD-HNNXBMFYSA-N 2 2 261.344 3.277 20 0 CGADLP C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802562 804519927 /nfs/dbraw/zinc/51/99/27/804519927.db2.gz ZECUJEQYZRCSMD-HNNXBMFYSA-N 2 2 261.344 3.277 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)C[NH2+]1 ZINC001246821988 804535546 /nfs/dbraw/zinc/53/55/46/804535546.db2.gz JXVDCAGQDHJURX-PBHICJAKSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001246820999 804535805 /nfs/dbraw/zinc/53/58/05/804535805.db2.gz LKCQUUFFHAMSDC-MBNYWOFBSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001246820999 804535811 /nfs/dbraw/zinc/53/58/11/804535811.db2.gz LKCQUUFFHAMSDC-MBNYWOFBSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829005 804541329 /nfs/dbraw/zinc/54/13/29/804541329.db2.gz HBMNRBYREHTSHJ-UXIGCNINSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829005 804541333 /nfs/dbraw/zinc/54/13/33/804541333.db2.gz HBMNRBYREHTSHJ-UXIGCNINSA-N 2 2 298.352 3.245 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837479 804546802 /nfs/dbraw/zinc/54/68/02/804546802.db2.gz UNBMTMKDKPAKPZ-HOTGVXAUSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837479 804546805 /nfs/dbraw/zinc/54/68/05/804546805.db2.gz UNBMTMKDKPAKPZ-HOTGVXAUSA-N 2 2 278.827 3.229 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866549 804569947 /nfs/dbraw/zinc/56/99/47/804569947.db2.gz CODXHYVNACJKLJ-HOTGVXAUSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866549 804569952 /nfs/dbraw/zinc/56/99/52/804569952.db2.gz CODXHYVNACJKLJ-HOTGVXAUSA-N 2 2 278.827 3.432 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893232 804584998 /nfs/dbraw/zinc/58/49/98/804584998.db2.gz IUEFIFLINAXLLU-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893232 804585001 /nfs/dbraw/zinc/58/50/01/804585001.db2.gz IUEFIFLINAXLLU-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930778 804605790 /nfs/dbraw/zinc/60/57/90/804605790.db2.gz VZTFPZUYBOCHHI-IRXDYDNUSA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930778 804605793 /nfs/dbraw/zinc/60/57/93/804605793.db2.gz VZTFPZUYBOCHHI-IRXDYDNUSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001246936573 804608411 /nfs/dbraw/zinc/60/84/11/804608411.db2.gz FHXZENHXHPWKDV-TYNCELHUSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001246936573 804608414 /nfs/dbraw/zinc/60/84/14/804608414.db2.gz FHXZENHXHPWKDV-TYNCELHUSA-N 2 2 282.428 3.118 20 0 CGADLP CCC[C@@H](CC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950095 804616989 /nfs/dbraw/zinc/61/69/89/804616989.db2.gz SRRLYMOKOZCGSN-IAGOWNOFSA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@@H](CC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950095 804616993 /nfs/dbraw/zinc/61/69/93/804616993.db2.gz SRRLYMOKOZCGSN-IAGOWNOFSA-N 2 2 275.440 3.214 20 0 CGADLP CC(C)[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC001141245835 804623858 /nfs/dbraw/zinc/62/38/58/804623858.db2.gz SIPKWQMBYJBAKE-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC001141245835 804623864 /nfs/dbraw/zinc/62/38/64/804623864.db2.gz SIPKWQMBYJBAKE-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979276 804625912 /nfs/dbraw/zinc/62/59/12/804625912.db2.gz OHBIWJOSWIHYTN-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979276 804625916 /nfs/dbraw/zinc/62/59/16/804625916.db2.gz OHBIWJOSWIHYTN-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP COc1ccsc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001141332349 804631024 /nfs/dbraw/zinc/63/10/24/804631024.db2.gz VBTZGLGVDVMCGP-UHFFFAOYSA-N 2 2 282.453 3.061 20 0 CGADLP COc1ccsc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001141332349 804631028 /nfs/dbraw/zinc/63/10/28/804631028.db2.gz VBTZGLGVDVMCGP-UHFFFAOYSA-N 2 2 282.453 3.061 20 0 CGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001246997764 804632526 /nfs/dbraw/zinc/63/25/26/804632526.db2.gz BQZXLAWBLYCGRR-JKSUJKDBSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)Oc1ccc([C@H]2CC[N@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001246997764 804632530 /nfs/dbraw/zinc/63/25/30/804632530.db2.gz BQZXLAWBLYCGRR-JKSUJKDBSA-N 2 2 288.435 3.015 20 0 CGADLP [NH3+]CCCCc1[nH]c2ccc(OCc3ccccc3)cc2[nH+]1 ZINC001247009403 804638307 /nfs/dbraw/zinc/63/83/07/804638307.db2.gz NZFTXJUAVSWKTD-UHFFFAOYSA-N 2 2 295.386 3.423 20 0 CGADLP CC[N@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141852935 804673891 /nfs/dbraw/zinc/67/38/91/804673891.db2.gz WSCDSNCQNXJXLR-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[N@@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141852935 804673894 /nfs/dbraw/zinc/67/38/94/804673894.db2.gz WSCDSNCQNXJXLR-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC001143680941 804884020 /nfs/dbraw/zinc/88/40/20/804884020.db2.gz PSFKOFNCJJUGNE-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC001143680941 804884027 /nfs/dbraw/zinc/88/40/27/804884027.db2.gz PSFKOFNCJJUGNE-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001143680941 804884032 /nfs/dbraw/zinc/88/40/32/804884032.db2.gz PSFKOFNCJJUGNE-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC001143680941 804884038 /nfs/dbraw/zinc/88/40/38/804884038.db2.gz PSFKOFNCJJUGNE-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252736 804962054 /nfs/dbraw/zinc/96/20/54/804962054.db2.gz VUHUHPPLWRYZHV-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252736 804962060 /nfs/dbraw/zinc/96/20/60/804962060.db2.gz VUHUHPPLWRYZHV-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252736 804962064 /nfs/dbraw/zinc/96/20/64/804962064.db2.gz VUHUHPPLWRYZHV-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252736 804962068 /nfs/dbraw/zinc/96/20/68/804962068.db2.gz VUHUHPPLWRYZHV-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP CCSc1cc[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155117085 805541559 /nfs/dbraw/zinc/54/15/59/805541559.db2.gz CMEHCTWNGBPFKH-AWEZNQCLSA-N 2 2 283.416 3.087 20 0 CGADLP Cc1cn2cccc(Nc3ccc4c[nH+]cn4c3)c2[nH+]1 ZINC001250324008 805567403 /nfs/dbraw/zinc/56/74/03/805567403.db2.gz MXTBBVRVKPMEKK-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321728 807106183 /nfs/dbraw/zinc/10/61/83/807106183.db2.gz NMZCTCYDVWZDGT-SOUVJXGZSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321728 807106188 /nfs/dbraw/zinc/10/61/88/807106188.db2.gz NMZCTCYDVWZDGT-SOUVJXGZSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257321728 807106193 /nfs/dbraw/zinc/10/61/93/807106193.db2.gz NMZCTCYDVWZDGT-SOUVJXGZSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257321728 807106198 /nfs/dbraw/zinc/10/61/98/807106198.db2.gz NMZCTCYDVWZDGT-SOUVJXGZSA-N 2 2 293.480 3.228 20 0 CGADLP CC[N@H+](C1CCC(OC(C)C)CC1)C1CC[NH+](C)CC1 ZINC001257882704 807236242 /nfs/dbraw/zinc/23/62/42/807236242.db2.gz YENSIFWLOCSYQB-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP CC[N@@H+](C1CCC(OC(C)C)CC1)C1CC[NH+](C)CC1 ZINC001257882704 807236244 /nfs/dbraw/zinc/23/62/44/807236244.db2.gz YENSIFWLOCSYQB-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP NC(=[NH2+])N(c1ccc(F)cc1)c1cc[nH+]c(C2CC2)c1 ZINC001167994383 807292587 /nfs/dbraw/zinc/29/25/87/807292587.db2.gz JIVNCDVZGWRAJF-UHFFFAOYSA-N 2 2 270.311 3.130 20 0 CGADLP CC1(Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)CC[NH2+]CC1 ZINC001168186167 807339255 /nfs/dbraw/zinc/33/92/55/807339255.db2.gz SUVKXAZAGAFJRS-UHFFFAOYSA-N 2 2 298.312 3.136 20 0 CGADLP CSCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258206801 807364205 /nfs/dbraw/zinc/36/42/05/807364205.db2.gz XVUSIZYGGIGQQI-CQSZACIVSA-N 2 2 293.480 3.029 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC001168353703 807390287 /nfs/dbraw/zinc/39/02/87/807390287.db2.gz QUNSNAUHGAQMHP-ZDUSSCGKSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001168477017 807430618 /nfs/dbraw/zinc/43/06/18/807430618.db2.gz XIJJKCRRYKXUQG-HNNXBMFYSA-N 2 2 290.426 3.317 20 0 CGADLP COc1ccc(CC[C@H](C)[N@@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001258401220 807441329 /nfs/dbraw/zinc/44/13/29/807441329.db2.gz MQBVLAXHIJROHQ-AWEZNQCLSA-N 2 2 299.418 3.037 20 0 CGADLP COc1ccc(CC[C@H](C)[N@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001258401220 807441335 /nfs/dbraw/zinc/44/13/35/807441335.db2.gz MQBVLAXHIJROHQ-AWEZNQCLSA-N 2 2 299.418 3.037 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 ZINC001258469419 807467973 /nfs/dbraw/zinc/46/79/73/807467973.db2.gz BZIOALKAJSMEGA-DZGCQCFKSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 ZINC001258469419 807467977 /nfs/dbraw/zinc/46/79/77/807467977.db2.gz BZIOALKAJSMEGA-DZGCQCFKSA-N 2 2 260.381 3.032 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675104 807472921 /nfs/dbraw/zinc/47/29/21/807472921.db2.gz DASGQISHQXGQST-OAHLLOKOSA-N 2 2 292.854 3.129 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258595615 807495685 /nfs/dbraw/zinc/49/56/85/807495685.db2.gz FCJGURDLIKULKU-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1[nH+]c(C(C)(C)C)nc(NCC(C)(C)C[NH+](C)C)c1C ZINC001168766198 807507880 /nfs/dbraw/zinc/50/78/80/807507880.db2.gz DXAJMPRXERGMJJ-UHFFFAOYSA-N 2 2 292.471 3.391 20 0 CGADLP C[C@@H](Cc1cccnc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258617435 807512285 /nfs/dbraw/zinc/51/22/85/807512285.db2.gz FPZYHZUQWYGNES-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258655137 807524508 /nfs/dbraw/zinc/52/45/08/807524508.db2.gz WUHVNZICVFAYKR-GOSISDBHSA-N 2 2 274.452 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258655137 807524512 /nfs/dbraw/zinc/52/45/12/807524512.db2.gz WUHVNZICVFAYKR-GOSISDBHSA-N 2 2 274.452 3.424 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001258662436 807530130 /nfs/dbraw/zinc/53/01/30/807530130.db2.gz IFVMJQNMYAETDW-SFHVURJKSA-N 2 2 272.436 3.178 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001258662436 807530133 /nfs/dbraw/zinc/53/01/33/807530133.db2.gz IFVMJQNMYAETDW-SFHVURJKSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC001169111932 807580815 /nfs/dbraw/zinc/58/08/15/807580815.db2.gz RBSHNXYLSGMRQC-RTCCRHLQSA-N 2 2 270.829 3.116 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC001169111932 807580817 /nfs/dbraw/zinc/58/08/17/807580817.db2.gz RBSHNXYLSGMRQC-RTCCRHLQSA-N 2 2 270.829 3.116 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258743515 807587375 /nfs/dbraw/zinc/58/73/75/807587375.db2.gz FXCIGRGLRPXQNK-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258743515 807587379 /nfs/dbraw/zinc/58/73/79/807587379.db2.gz FXCIGRGLRPXQNK-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP CC1(C)C[C@H](Nc2ccn3cc[nH+]c3c2)C[C@@](C)(C[NH3+])C1 ZINC001169149046 807594503 /nfs/dbraw/zinc/59/45/03/807594503.db2.gz XHXXCCXMDAOQSH-WMLDXEAASA-N 2 2 286.423 3.290 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155591 807595799 /nfs/dbraw/zinc/59/57/99/807595799.db2.gz RVBRNWWBPRFZDU-WDNDVIMCSA-N 2 2 276.811 3.281 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155591 807595801 /nfs/dbraw/zinc/59/58/01/807595801.db2.gz RVBRNWWBPRFZDU-WDNDVIMCSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155591 807595803 /nfs/dbraw/zinc/59/58/03/807595803.db2.gz RVBRNWWBPRFZDU-WDNDVIMCSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3cccc(Cl)c3C1)C2 ZINC001169155591 807595806 /nfs/dbraw/zinc/59/58/06/807595806.db2.gz RVBRNWWBPRFZDU-WDNDVIMCSA-N 2 2 276.811 3.281 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Cl)CC1 ZINC001258768555 807604434 /nfs/dbraw/zinc/60/44/34/807604434.db2.gz QTRHDHBWBKQPDX-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258785741 807611964 /nfs/dbraw/zinc/61/19/64/807611964.db2.gz WUAGNXKBZCRVDA-IMJJTQAJSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258785741 807611966 /nfs/dbraw/zinc/61/19/66/807611966.db2.gz WUAGNXKBZCRVDA-IMJJTQAJSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1C[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001170194141 807791400 /nfs/dbraw/zinc/79/14/00/807791400.db2.gz VPGAPVZEPGFVGE-CVEARBPZSA-N 2 2 285.391 3.139 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001170263613 807806982 /nfs/dbraw/zinc/80/69/82/807806982.db2.gz MTJUDQCRNGUJAT-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001170263613 807806989 /nfs/dbraw/zinc/80/69/89/807806989.db2.gz MTJUDQCRNGUJAT-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170895346 807927119 /nfs/dbraw/zinc/92/71/19/807927119.db2.gz CTFLCYJNFRUOGR-UKRRQHHQSA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171013315 807960334 /nfs/dbraw/zinc/96/03/34/807960334.db2.gz SWLRCGZXIOUYIT-CABCVRRESA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171013315 807960338 /nfs/dbraw/zinc/96/03/38/807960338.db2.gz SWLRCGZXIOUYIT-CABCVRRESA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092929 807981216 /nfs/dbraw/zinc/98/12/16/807981216.db2.gz BJEQWPZYXRVQKD-DLBZAZTESA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092929 807981220 /nfs/dbraw/zinc/98/12/20/807981220.db2.gz BJEQWPZYXRVQKD-DLBZAZTESA-N 2 2 292.854 3.270 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146166 807997546 /nfs/dbraw/zinc/99/75/46/807997546.db2.gz WPKZOOJRBGHMRU-OLZOCXBDSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171146166 807997550 /nfs/dbraw/zinc/99/75/50/807997550.db2.gz WPKZOOJRBGHMRU-OLZOCXBDSA-N 2 2 299.245 3.274 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171573409 808100611 /nfs/dbraw/zinc/10/06/11/808100611.db2.gz HWDJHLPUONRZKS-SFHVURJKSA-N 2 2 295.430 3.386 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC1(C)C ZINC001171629866 808107838 /nfs/dbraw/zinc/10/78/38/808107838.db2.gz XSXAJBXUAXNJAP-GOEBONIOSA-N 2 2 294.483 3.139 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1(C)C ZINC001171629866 808107840 /nfs/dbraw/zinc/10/78/40/808107840.db2.gz XSXAJBXUAXNJAP-GOEBONIOSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001171665297 808116932 /nfs/dbraw/zinc/11/69/32/808116932.db2.gz MHTPLDVTIMCKQK-INIZCTEOSA-N 2 2 284.403 3.380 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001171666088 808117923 /nfs/dbraw/zinc/11/79/23/808117923.db2.gz SXGJECGGBUQMDW-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001171666088 808117924 /nfs/dbraw/zinc/11/79/24/808117924.db2.gz SXGJECGGBUQMDW-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H](C)CCc1ccc(C)cc1)CC[NH2+]CC2 ZINC001171672502 808120006 /nfs/dbraw/zinc/12/00/06/808120006.db2.gz XSZSRASFZDNMES-HNNXBMFYSA-N 2 2 297.446 3.382 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001171958338 808159201 /nfs/dbraw/zinc/15/92/01/808159201.db2.gz VSHSYBHORUOUEQ-LBPRGKRZSA-N 2 2 297.324 3.123 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001172107718 808176436 /nfs/dbraw/zinc/17/64/36/808176436.db2.gz GKPILWUPQIRBGH-XJFOESAGSA-N 2 2 272.383 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001172107718 808176439 /nfs/dbraw/zinc/17/64/39/808176439.db2.gz GKPILWUPQIRBGH-XJFOESAGSA-N 2 2 272.383 3.169 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172328190 808235646 /nfs/dbraw/zinc/23/56/46/808235646.db2.gz OUDOPNIJYRCNMR-QWHCGFSZSA-N 2 2 299.484 3.150 20 0 CGADLP C[N@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172556006 808385271 /nfs/dbraw/zinc/38/52/71/808385271.db2.gz HEHVZVGSCWPTAR-SJLPKXTDSA-N 2 2 272.436 3.349 20 0 CGADLP C[N@@H+]([C@@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172556006 808385280 /nfs/dbraw/zinc/38/52/80/808385280.db2.gz HEHVZVGSCWPTAR-SJLPKXTDSA-N 2 2 272.436 3.349 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001172868839 808468792 /nfs/dbraw/zinc/46/87/92/808468792.db2.gz AEKOUPXJRWAPOX-GFCCVEGCSA-N 2 2 295.839 3.307 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC001173237633 808546394 /nfs/dbraw/zinc/54/63/94/808546394.db2.gz JLELLKFQWSJAFG-HZPDHXFCSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)cc1 ZINC001173240788 808548847 /nfs/dbraw/zinc/54/88/47/808548847.db2.gz RHKLFPZPYSOVBE-AWEZNQCLSA-N 2 2 297.446 3.246 20 0 CGADLP c1[nH+]c2ccccn2c1Nc1cc[nH+]c2ccccc12 ZINC001174039675 808838581 /nfs/dbraw/zinc/83/85/81/808838581.db2.gz ZIPLQPAKYVNUNZ-UHFFFAOYSA-N 2 2 260.300 3.048 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066070 808902873 /nfs/dbraw/zinc/90/28/73/808902873.db2.gz QGKRTDQSKIJRIU-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066070 808902880 /nfs/dbraw/zinc/90/28/80/808902880.db2.gz QGKRTDQSKIJRIU-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275066070 808902887 /nfs/dbraw/zinc/90/28/87/808902887.db2.gz QGKRTDQSKIJRIU-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275066070 808902893 /nfs/dbraw/zinc/90/28/93/808902893.db2.gz QGKRTDQSKIJRIU-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cccnc2cc1F ZINC001275472675 808938853 /nfs/dbraw/zinc/93/88/53/808938853.db2.gz UPJVOOUEYONAJU-MQVJKMGUSA-N 2 2 299.393 3.089 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cccnc2cc1F ZINC001275472675 808938859 /nfs/dbraw/zinc/93/88/59/808938859.db2.gz UPJVOOUEYONAJU-MQVJKMGUSA-N 2 2 299.393 3.089 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1Cl ZINC001276126015 808989676 /nfs/dbraw/zinc/98/96/76/808989676.db2.gz PUYHPARPHGGPDA-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1Cl ZINC001276126015 808989680 /nfs/dbraw/zinc/98/96/80/808989680.db2.gz PUYHPARPHGGPDA-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631277 809022606 /nfs/dbraw/zinc/02/26/06/809022606.db2.gz VFSXGJSTWLXHMO-QIJZBDPFSA-N 2 2 290.838 3.079 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631277 809022612 /nfs/dbraw/zinc/02/26/12/809022612.db2.gz VFSXGJSTWLXHMO-QIJZBDPFSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631277 809022618 /nfs/dbraw/zinc/02/26/18/809022618.db2.gz VFSXGJSTWLXHMO-QIJZBDPFSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631277 809022625 /nfs/dbraw/zinc/02/26/25/809022625.db2.gz VFSXGJSTWLXHMO-QIJZBDPFSA-N 2 2 290.838 3.079 20 0 CGADLP CN(C)c1cc[nH+]cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523005 809061537 /nfs/dbraw/zinc/06/15/37/809061537.db2.gz CQRFLEZOHDBJHD-UHFFFAOYSA-N 2 2 297.406 3.277 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807982 809098073 /nfs/dbraw/zinc/09/80/73/809098073.db2.gz SHUNNPFUOIZGPF-RDJZCZTQSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807982 809098079 /nfs/dbraw/zinc/09/80/79/809098079.db2.gz SHUNNPFUOIZGPF-RDJZCZTQSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807982 809098085 /nfs/dbraw/zinc/09/80/85/809098085.db2.gz SHUNNPFUOIZGPF-RDJZCZTQSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807982 809098088 /nfs/dbraw/zinc/09/80/88/809098088.db2.gz SHUNNPFUOIZGPF-RDJZCZTQSA-N 2 2 275.440 3.101 20 0 CGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(C)c[nH+]3)cc2)CC1 ZINC001175779764 809541575 /nfs/dbraw/zinc/54/15/75/809541575.db2.gz UXPFPNHVEGGKSV-UHFFFAOYSA-N 2 2 296.418 3.276 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001181244067 810043884 /nfs/dbraw/zinc/04/38/84/810043884.db2.gz MHTWDNBWSMVUFE-KRWDZBQOSA-N 2 2 286.463 3.428 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001181244067 810043888 /nfs/dbraw/zinc/04/38/88/810043888.db2.gz MHTWDNBWSMVUFE-KRWDZBQOSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001182874543 810128724 /nfs/dbraw/zinc/12/87/24/810128724.db2.gz SMHZVTYBBSBUQF-JHNDHUHGSA-N 2 2 264.457 3.131 20 0 CGADLP C[Si](C)(C)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263895 811407774 /nfs/dbraw/zinc/40/77/74/811407774.db2.gz FPYPNOJVXPYYQN-OAHLLOKOSA-N 2 2 273.456 3.091 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cs1 ZINC001198772018 811542408 /nfs/dbraw/zinc/54/24/08/811542408.db2.gz XMLODGNBHFLNBG-UHFFFAOYSA-N 2 2 275.421 3.170 20 0 CGADLP CC(C)c1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001200752560 811739764 /nfs/dbraw/zinc/73/97/64/811739764.db2.gz XLSCVXVJYZFUKS-HNNXBMFYSA-N 2 2 260.425 3.241 20 0 CGADLP CC(C)c1ccccc1C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001200752560 811739773 /nfs/dbraw/zinc/73/97/73/811739773.db2.gz XLSCVXVJYZFUKS-HNNXBMFYSA-N 2 2 260.425 3.241 20 0 CGADLP Nc1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001201300188 811811035 /nfs/dbraw/zinc/81/10/35/811811035.db2.gz OOOCLODGXIKBBH-UHFFFAOYSA-N 2 2 296.418 3.436 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203029620 812219666 /nfs/dbraw/zinc/21/96/66/812219666.db2.gz AVEPZSFOHXJMTF-UHFFFAOYSA-N 2 2 286.463 3.482 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001203327105 812311920 /nfs/dbraw/zinc/31/19/20/812311920.db2.gz JNYXENHGCJDEHU-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001203327105 812311928 /nfs/dbraw/zinc/31/19/28/812311928.db2.gz JNYXENHGCJDEHU-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP Cc1ccc(Nc2ccnn2-c2cc[nH+]cc2)c(C)[nH+]1 ZINC001203368896 812325947 /nfs/dbraw/zinc/32/59/47/812325947.db2.gz GSRJRKXEQZYFDS-UHFFFAOYSA-N 2 2 265.320 3.023 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989225 812511795 /nfs/dbraw/zinc/51/17/95/812511795.db2.gz ZUQXGLDCIWBTOP-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989225 812511802 /nfs/dbraw/zinc/51/18/02/812511802.db2.gz ZUQXGLDCIWBTOP-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989225 812511805 /nfs/dbraw/zinc/51/18/05/812511805.db2.gz ZUQXGLDCIWBTOP-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989225 812511808 /nfs/dbraw/zinc/51/18/08/812511808.db2.gz ZUQXGLDCIWBTOP-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)cc1 ZINC001204241795 812583196 /nfs/dbraw/zinc/58/31/96/812583196.db2.gz OHSYWUQPHXQLLJ-OALUTQOASA-N 2 2 296.414 3.152 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC001204395087 812627294 /nfs/dbraw/zinc/62/72/94/812627294.db2.gz ZCROKOJHFWRFIG-INIZCTEOSA-N 2 2 286.375 3.280 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC001204395087 812627296 /nfs/dbraw/zinc/62/72/96/812627296.db2.gz ZCROKOJHFWRFIG-INIZCTEOSA-N 2 2 286.375 3.280 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001204394846 812627852 /nfs/dbraw/zinc/62/78/52/812627852.db2.gz UBYKMIKMHHOMKW-INIZCTEOSA-N 2 2 286.375 3.199 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)o1 ZINC001204394846 812627857 /nfs/dbraw/zinc/62/78/57/812627857.db2.gz UBYKMIKMHHOMKW-INIZCTEOSA-N 2 2 286.375 3.199 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204661179 812702915 /nfs/dbraw/zinc/70/29/15/812702915.db2.gz ZHJYCMGRTLKKSA-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC001204661179 812702919 /nfs/dbraw/zinc/70/29/19/812702919.db2.gz ZHJYCMGRTLKKSA-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(Nc2[nH+]cccc2N)cc1 ZINC001204677686 812707159 /nfs/dbraw/zinc/70/71/59/812707159.db2.gz NSNNSDYGNPAQKU-UHFFFAOYSA-N 2 2 270.380 3.296 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)s1 ZINC001204937305 812785000 /nfs/dbraw/zinc/78/50/00/812785000.db2.gz BMVMANMXQHITEP-OAHLLOKOSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)s1 ZINC001204937305 812785004 /nfs/dbraw/zinc/78/50/04/812785004.db2.gz BMVMANMXQHITEP-OAHLLOKOSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204945121 812791179 /nfs/dbraw/zinc/79/11/79/812791179.db2.gz GFHLVGPYWNXOCZ-KRWDZBQOSA-N 2 2 260.425 3.342 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204945121 812791182 /nfs/dbraw/zinc/79/11/82/812791182.db2.gz GFHLVGPYWNXOCZ-KRWDZBQOSA-N 2 2 260.425 3.342 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001204945931 812791597 /nfs/dbraw/zinc/79/15/97/812791597.db2.gz KLIPRRZFFOYQTP-KRWDZBQOSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001204945931 812791606 /nfs/dbraw/zinc/79/16/06/812791606.db2.gz KLIPRRZFFOYQTP-KRWDZBQOSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3sccc32)C1 ZINC001204946663 812792933 /nfs/dbraw/zinc/79/29/33/812792933.db2.gz QTMXITMVMFYCER-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3sccc32)C1 ZINC001204946663 812792937 /nfs/dbraw/zinc/79/29/37/812792937.db2.gz QTMXITMVMFYCER-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947263 812793325 /nfs/dbraw/zinc/79/33/25/812793325.db2.gz WYBGPQWVQNGOGC-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204947263 812793327 /nfs/dbraw/zinc/79/33/27/812793327.db2.gz WYBGPQWVQNGOGC-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP c1cn2ccc(Nc3cc[nH+]c(C4CC4)c3)cc2[nH+]1 ZINC001204972026 812804397 /nfs/dbraw/zinc/80/43/97/812804397.db2.gz UVMAJEIZZBUADI-UHFFFAOYSA-N 2 2 250.305 3.350 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1Cl ZINC001205008817 812822713 /nfs/dbraw/zinc/82/27/13/812822713.db2.gz DCFGAUOJNAWNLI-AWEZNQCLSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1Cl ZINC001205008817 812822721 /nfs/dbraw/zinc/82/27/21/812822721.db2.gz DCFGAUOJNAWNLI-AWEZNQCLSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205272983 812924892 /nfs/dbraw/zinc/92/48/92/812924892.db2.gz BRABMIRLKCGAJI-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205272983 812924898 /nfs/dbraw/zinc/92/48/98/812924898.db2.gz BRABMIRLKCGAJI-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP CC[N@H+](Cc1cc(C)ccc1F)C1CC[NH+](C)CC1 ZINC001205648609 813039853 /nfs/dbraw/zinc/03/98/53/813039853.db2.gz VZKUHDKPWFKSKI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1cc(C)ccc1F)C1CC[NH+](C)CC1 ZINC001205648609 813039859 /nfs/dbraw/zinc/03/98/59/813039859.db2.gz VZKUHDKPWFKSKI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CCCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205806855 813087541 /nfs/dbraw/zinc/08/75/41/813087541.db2.gz WGOGKPHRFSFZMP-HOCLYGCPSA-N 2 2 276.424 3.035 20 0 CGADLP CCCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205806855 813087547 /nfs/dbraw/zinc/08/75/47/813087547.db2.gz WGOGKPHRFSFZMP-HOCLYGCPSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814528 813090749 /nfs/dbraw/zinc/09/07/49/813090749.db2.gz CLSJFEVLGCTKCK-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814528 813090757 /nfs/dbraw/zinc/09/07/57/813090757.db2.gz CLSJFEVLGCTKCK-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205816227 813091803 /nfs/dbraw/zinc/09/18/03/813091803.db2.gz KQYUYZAFSSROLU-RISCZKNCSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205816227 813091812 /nfs/dbraw/zinc/09/18/12/813091812.db2.gz KQYUYZAFSSROLU-RISCZKNCSA-N 2 2 289.398 3.175 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205816915 813094387 /nfs/dbraw/zinc/09/43/87/813094387.db2.gz PAEXCUAMYPLYDY-OCCSQVGLSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205816915 813094395 /nfs/dbraw/zinc/09/43/95/813094395.db2.gz PAEXCUAMYPLYDY-OCCSQVGLSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827962 813099233 /nfs/dbraw/zinc/09/92/33/813099233.db2.gz IJFHJSJBFSYGQO-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827962 813099241 /nfs/dbraw/zinc/09/92/41/813099241.db2.gz IJFHJSJBFSYGQO-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843633 813105213 /nfs/dbraw/zinc/10/52/13/813105213.db2.gz TVXXSJVSJMNKNP-DGCLKSJQSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843633 813105217 /nfs/dbraw/zinc/10/52/17/813105217.db2.gz TVXXSJVSJMNKNP-DGCLKSJQSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851696 813108374 /nfs/dbraw/zinc/10/83/74/813108374.db2.gz AQDITRZKEYTCNP-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851696 813108376 /nfs/dbraw/zinc/10/83/76/813108376.db2.gz AQDITRZKEYTCNP-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856859 813109323 /nfs/dbraw/zinc/10/93/23/813109323.db2.gz YTDYRTJKODUNGJ-GDBMZVCRSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856859 813109328 /nfs/dbraw/zinc/10/93/28/813109328.db2.gz YTDYRTJKODUNGJ-GDBMZVCRSA-N 2 2 290.451 3.423 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856605 813109984 /nfs/dbraw/zinc/10/99/84/813109984.db2.gz XHMFNNMOGBBUNN-DOMZBBRYSA-N 2 2 278.465 3.276 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856605 813109988 /nfs/dbraw/zinc/10/99/88/813109988.db2.gz XHMFNNMOGBBUNN-DOMZBBRYSA-N 2 2 278.465 3.276 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2c1 ZINC001205889305 813120395 /nfs/dbraw/zinc/12/03/95/813120395.db2.gz YAVFRUNFNPJOPB-ABAIWWIYSA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2c1 ZINC001205889305 813120400 /nfs/dbraw/zinc/12/04/00/813120400.db2.gz YAVFRUNFNPJOPB-ABAIWWIYSA-N 2 2 290.432 3.079 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901167 813122856 /nfs/dbraw/zinc/12/28/56/813122856.db2.gz BNNMMMCNRPBJPR-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901167 813122859 /nfs/dbraw/zinc/12/28/59/813122859.db2.gz BNNMMMCNRPBJPR-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205932370 813139330 /nfs/dbraw/zinc/13/93/30/813139330.db2.gz QZOFXBABZRRFLE-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205932370 813139332 /nfs/dbraw/zinc/13/93/32/813139332.db2.gz QZOFXBABZRRFLE-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)cc21 ZINC001205938487 813141695 /nfs/dbraw/zinc/14/16/95/813141695.db2.gz IJSCNZGJPPTJHL-KRWDZBQOSA-N 3 2 299.462 3.001 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)cc21 ZINC001205938487 813141698 /nfs/dbraw/zinc/14/16/98/813141698.db2.gz IJSCNZGJPPTJHL-KRWDZBQOSA-N 3 2 299.462 3.001 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001206262994 813262496 /nfs/dbraw/zinc/26/24/96/813262496.db2.gz KXVKREGOLZWSDI-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001206262994 813262500 /nfs/dbraw/zinc/26/25/00/813262500.db2.gz KXVKREGOLZWSDI-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)s1 ZINC001206344188 813295578 /nfs/dbraw/zinc/29/55/78/813295578.db2.gz OKJQKKURXJYCOZ-OAHLLOKOSA-N 2 2 284.444 3.354 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)s1 ZINC001206344188 813295584 /nfs/dbraw/zinc/29/55/84/813295584.db2.gz OKJQKKURXJYCOZ-OAHLLOKOSA-N 2 2 284.444 3.354 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001206351524 813299554 /nfs/dbraw/zinc/29/95/54/813299554.db2.gz DPUCLFFPAJYFPQ-HNNXBMFYSA-N 2 2 286.341 3.277 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001206351524 813299562 /nfs/dbraw/zinc/29/95/62/813299562.db2.gz DPUCLFFPAJYFPQ-HNNXBMFYSA-N 2 2 286.341 3.277 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206352033 813300071 /nfs/dbraw/zinc/30/00/71/813300071.db2.gz MNIWLOJMTOBWRZ-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206352033 813300079 /nfs/dbraw/zinc/30/00/79/813300079.db2.gz MNIWLOJMTOBWRZ-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001206542234 813345336 /nfs/dbraw/zinc/34/53/36/813345336.db2.gz VUQZWBNZEBKGTL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001206542234 813345342 /nfs/dbraw/zinc/34/53/42/813345342.db2.gz VUQZWBNZEBKGTL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001206691549 813400124 /nfs/dbraw/zinc/40/01/24/813400124.db2.gz JQDVKFFUZCXKNT-IVSAIRAKSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001206691549 813400130 /nfs/dbraw/zinc/40/01/30/813400130.db2.gz JQDVKFFUZCXKNT-IVSAIRAKSA-N 2 2 262.441 3.029 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191960 813512213 /nfs/dbraw/zinc/51/22/13/813512213.db2.gz NXYWSIYDNBSPFV-WMLDXEAASA-N 2 2 290.838 3.224 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191960 813512214 /nfs/dbraw/zinc/51/22/14/813512214.db2.gz NXYWSIYDNBSPFV-WMLDXEAASA-N 2 2 290.838 3.224 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207616176 813616871 /nfs/dbraw/zinc/61/68/71/813616871.db2.gz UCJVIEQYXMWGFN-ARFHVFGLSA-N 2 2 284.403 3.137 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763719 813646726 /nfs/dbraw/zinc/64/67/26/813646726.db2.gz SZRWZCAOGCRSOW-HNNXBMFYSA-N 2 2 292.442 3.468 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763719 813646733 /nfs/dbraw/zinc/64/67/33/813646733.db2.gz SZRWZCAOGCRSOW-HNNXBMFYSA-N 2 2 292.442 3.468 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+](C[C@H]2CCC(C)=C[C@H]2C)CCO1 ZINC001208167428 813722059 /nfs/dbraw/zinc/72/20/59/813722059.db2.gz GCCWQJFATDROKI-KZNAEPCWSA-N 2 2 294.483 3.021 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+](C[C@H]2CCC(C)=C[C@H]2C)CCO1 ZINC001208167428 813722064 /nfs/dbraw/zinc/72/20/64/813722064.db2.gz GCCWQJFATDROKI-KZNAEPCWSA-N 2 2 294.483 3.021 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171737 813726356 /nfs/dbraw/zinc/72/63/56/813726356.db2.gz XBJQFGKNGFKCEG-BDXSIMOUSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171737 813726363 /nfs/dbraw/zinc/72/63/63/813726363.db2.gz XBJQFGKNGFKCEG-BDXSIMOUSA-N 2 2 294.458 3.487 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603324 813771887 /nfs/dbraw/zinc/77/18/87/813771887.db2.gz BEBTVAINUBZITO-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603324 813771894 /nfs/dbraw/zinc/77/18/94/813771894.db2.gz BEBTVAINUBZITO-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603324 813771897 /nfs/dbraw/zinc/77/18/97/813771897.db2.gz BEBTVAINUBZITO-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603324 813771906 /nfs/dbraw/zinc/77/19/06/813771906.db2.gz BEBTVAINUBZITO-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[C@H](CC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665276 813788942 /nfs/dbraw/zinc/78/89/42/813788942.db2.gz PWYJKSUCSXFWFA-OWCLPIDISA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665276 813788946 /nfs/dbraw/zinc/78/89/46/813788946.db2.gz PWYJKSUCSXFWFA-OWCLPIDISA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665276 813788948 /nfs/dbraw/zinc/78/89/48/813788948.db2.gz PWYJKSUCSXFWFA-OWCLPIDISA-N 2 2 266.473 3.475 20 0 CGADLP C[C@H](CC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1)CC(C)(C)C ZINC001208665276 813788950 /nfs/dbraw/zinc/78/89/50/813788950.db2.gz PWYJKSUCSXFWFA-OWCLPIDISA-N 2 2 266.473 3.475 20 0 CGADLP Cc1cc(Nc2cc[nH+]c(N(C)C)c2)ccc1[NH+](C)C ZINC001210042471 814260978 /nfs/dbraw/zinc/26/09/78/814260978.db2.gz GDOUJSWFDSSUJK-UHFFFAOYSA-N 2 2 270.380 3.266 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474998 814478983 /nfs/dbraw/zinc/47/89/83/814478983.db2.gz KAZDYGXSUMKWIN-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210474998 814478986 /nfs/dbraw/zinc/47/89/86/814478986.db2.gz KAZDYGXSUMKWIN-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP c1cn2cccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c2[nH+]1 ZINC001210706720 814590548 /nfs/dbraw/zinc/59/05/48/814590548.db2.gz ZHDKNUNSYOPXEY-OAHLLOKOSA-N 2 2 282.391 3.278 20 0 CGADLP COc1cc(Nc2c[nH+]ccc2N2CCCC2)cc(C)[nH+]1 ZINC001210780176 814626147 /nfs/dbraw/zinc/62/61/47/814626147.db2.gz JTTQCDOFJCUNOQ-UHFFFAOYSA-N 2 2 284.363 3.137 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cc(OC(F)(F)F)cc[nH+]2)c1 ZINC001211138448 814836949 /nfs/dbraw/zinc/83/69/49/814836949.db2.gz RQPGPJUSTQPGIO-UHFFFAOYSA-N 2 2 297.280 3.443 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222249621 816386846 /nfs/dbraw/zinc/38/68/46/816386846.db2.gz VGKRPQRDTNXSGC-INIZCTEOSA-N 2 2 276.449 3.127 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222249621 816386855 /nfs/dbraw/zinc/38/68/55/816386855.db2.gz VGKRPQRDTNXSGC-INIZCTEOSA-N 2 2 276.449 3.127 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222264893 816390817 /nfs/dbraw/zinc/39/08/17/816390817.db2.gz KIYGRSRQSFVFQJ-GOSISDBHSA-N 2 2 289.467 3.278 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222264893 816390824 /nfs/dbraw/zinc/39/08/24/816390824.db2.gz KIYGRSRQSFVFQJ-GOSISDBHSA-N 2 2 289.467 3.278 20 0 CGADLP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385559 816425983 /nfs/dbraw/zinc/42/59/83/816425983.db2.gz QEKLUSZFPLNWAN-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2c(c1)cccc2C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385559 816425986 /nfs/dbraw/zinc/42/59/86/816425986.db2.gz QEKLUSZFPLNWAN-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1C ZINC001222427906 816442972 /nfs/dbraw/zinc/44/29/72/816442972.db2.gz XRSGLPZJKRBBBH-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1C ZINC001222427906 816442976 /nfs/dbraw/zinc/44/29/76/816442976.db2.gz XRSGLPZJKRBBBH-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1C ZINC001222434359 816444193 /nfs/dbraw/zinc/44/41/93/816444193.db2.gz HRVBPMABKHOFFN-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1C ZINC001222434359 816444196 /nfs/dbraw/zinc/44/41/96/816444196.db2.gz HRVBPMABKHOFFN-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222464731 816449928 /nfs/dbraw/zinc/44/99/28/816449928.db2.gz DNDVAFAKVVUVDN-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222464731 816449935 /nfs/dbraw/zinc/44/99/35/816449935.db2.gz DNDVAFAKVVUVDN-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222471129 816452137 /nfs/dbraw/zinc/45/21/37/816452137.db2.gz LQVCIXSAJNAALA-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222471129 816452142 /nfs/dbraw/zinc/45/21/42/816452142.db2.gz LQVCIXSAJNAALA-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP C[NH2+]Cc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001242991442 823200528 /nfs/dbraw/zinc/20/05/28/823200528.db2.gz OKRWKNYJMORYOD-UHFFFAOYSA-N 2 2 267.376 3.068 20 0 CGADLP Clc1ccc2c(n1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014581 818233020 /nfs/dbraw/zinc/23/30/20/818233020.db2.gz RFZDMBRLFMXQDC-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250716 818294392 /nfs/dbraw/zinc/29/43/92/818294392.db2.gz CERMJCQNXNXJPK-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250716 818294399 /nfs/dbraw/zinc/29/43/99/818294399.db2.gz CERMJCQNXNXJPK-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP Cc1c(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1F ZINC001232423373 818346935 /nfs/dbraw/zinc/34/69/35/818346935.db2.gz NYDXDXVQMVQYEA-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP Cc1c(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC001232423373 818346943 /nfs/dbraw/zinc/34/69/43/818346943.db2.gz NYDXDXVQMVQYEA-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232943355 818479802 /nfs/dbraw/zinc/47/98/02/818479802.db2.gz BSNKLUPWELMXAI-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1C ZINC001235004053 818976292 /nfs/dbraw/zinc/97/62/92/818976292.db2.gz QCNJEIHZECLMEJ-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1C ZINC001235004053 818976301 /nfs/dbraw/zinc/97/63/01/818976301.db2.gz QCNJEIHZECLMEJ-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP Clc1ccc2c(C[N@@H+]3CCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235108711 819003586 /nfs/dbraw/zinc/00/35/86/819003586.db2.gz CKZTZSCYRSGMCN-MRXNPFEDSA-N 2 2 289.810 3.149 20 0 CGADLP Clc1ccc2c(C[N@H+]3CCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235108711 819003594 /nfs/dbraw/zinc/00/35/94/819003594.db2.gz CKZTZSCYRSGMCN-MRXNPFEDSA-N 2 2 289.810 3.149 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235124338 819012545 /nfs/dbraw/zinc/01/25/45/819012545.db2.gz MSUAUXPAQNDLGO-CQSZACIVSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001235124338 819012551 /nfs/dbraw/zinc/01/25/51/819012551.db2.gz MSUAUXPAQNDLGO-CQSZACIVSA-N 2 2 272.383 3.030 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187960 819027876 /nfs/dbraw/zinc/02/78/76/819027876.db2.gz JTDYHSKLOMZGMO-SUMWQHHRSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187960 819027885 /nfs/dbraw/zinc/02/78/85/819027885.db2.gz JTDYHSKLOMZGMO-SUMWQHHRSA-N 2 2 292.382 3.380 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235188997 819029527 /nfs/dbraw/zinc/02/95/27/819029527.db2.gz DNNOASBMCAHLJF-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235188997 819029532 /nfs/dbraw/zinc/02/95/32/819029532.db2.gz DNNOASBMCAHLJF-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235189943 819029665 /nfs/dbraw/zinc/02/96/65/819029665.db2.gz APHDXHYKGPBVAZ-ALKREAHSSA-N 2 2 280.415 3.237 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2C[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235189943 819029671 /nfs/dbraw/zinc/02/96/71/819029671.db2.gz APHDXHYKGPBVAZ-ALKREAHSSA-N 2 2 280.415 3.237 20 0 CGADLP c1ccc(C(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC001235214644 819039377 /nfs/dbraw/zinc/03/93/77/819039377.db2.gz YTHZNINGSDKGKY-UYAOXDASSA-N 2 2 292.426 3.112 20 0 CGADLP c1ccc(C(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC001235214644 819039380 /nfs/dbraw/zinc/03/93/80/819039380.db2.gz YTHZNINGSDKGKY-UYAOXDASSA-N 2 2 292.426 3.112 20 0 CGADLP c1csc(-c2ccccc2C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235254357 819050677 /nfs/dbraw/zinc/05/06/77/819050677.db2.gz BGGGYJRPWICPSS-GOEBONIOSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccccc2C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235254357 819050683 /nfs/dbraw/zinc/05/06/83/819050683.db2.gz BGGGYJRPWICPSS-GOEBONIOSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272649 819058740 /nfs/dbraw/zinc/05/87/40/819058740.db2.gz QPISCCUPBNNGFF-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272649 819058743 /nfs/dbraw/zinc/05/87/43/819058743.db2.gz QPISCCUPBNNGFF-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400670 819086101 /nfs/dbraw/zinc/08/61/01/819086101.db2.gz FFEYEPQQWOSCOI-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400670 819086106 /nfs/dbraw/zinc/08/61/06/819086106.db2.gz FFEYEPQQWOSCOI-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Clc1cccc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885238 819196951 /nfs/dbraw/zinc/19/69/51/819196951.db2.gz UDTQIDAWZYOCSS-RYUDHWBXSA-N 2 2 299.245 3.392 20 0 CGADLP Clc1cccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885238 819196953 /nfs/dbraw/zinc/19/69/53/819196953.db2.gz UDTQIDAWZYOCSS-RYUDHWBXSA-N 2 2 299.245 3.392 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc(C)c1OC(C)C ZINC001235891271 819200349 /nfs/dbraw/zinc/20/03/49/819200349.db2.gz HQRXHESPZDUKSS-NVXWUHKLSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc(C)c1OC(C)C ZINC001235891271 819200354 /nfs/dbraw/zinc/20/03/54/819200354.db2.gz HQRXHESPZDUKSS-NVXWUHKLSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908525 819217090 /nfs/dbraw/zinc/21/70/90/819217090.db2.gz YCSVXHAPFLDEMY-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908525 819217096 /nfs/dbraw/zinc/21/70/96/819217096.db2.gz YCSVXHAPFLDEMY-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1F ZINC001235925002 819223495 /nfs/dbraw/zinc/22/34/95/819223495.db2.gz FIIRJAQPFBAZDA-NSHDSACASA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1F ZINC001235925002 819223501 /nfs/dbraw/zinc/22/35/01/819223501.db2.gz FIIRJAQPFBAZDA-NSHDSACASA-N 2 2 290.304 3.158 20 0 CGADLP CC[NH2+]CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948943 819238580 /nfs/dbraw/zinc/23/85/80/819238580.db2.gz WFMWOVQPWNZJDB-UHFFFAOYSA-N 2 2 282.431 3.341 20 0 CGADLP CC[NH2+]CC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948943 819238582 /nfs/dbraw/zinc/23/85/82/819238582.db2.gz WFMWOVQPWNZJDB-UHFFFAOYSA-N 2 2 282.431 3.341 20 0 CGADLP COc1ccc([C@H](C)[N@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235950024 819240588 /nfs/dbraw/zinc/24/05/88/819240588.db2.gz NAFJINMMAHZAPR-MAUKXSAKSA-N 2 2 298.430 3.258 20 0 CGADLP COc1ccc([C@H](C)[N@@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235950024 819240595 /nfs/dbraw/zinc/24/05/95/819240595.db2.gz NAFJINMMAHZAPR-MAUKXSAKSA-N 2 2 298.430 3.258 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001235970469 819254174 /nfs/dbraw/zinc/25/41/74/819254174.db2.gz JPCPGFCBGZZYBA-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001235970469 819254179 /nfs/dbraw/zinc/25/41/79/819254179.db2.gz JPCPGFCBGZZYBA-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989686 819262907 /nfs/dbraw/zinc/26/29/07/819262907.db2.gz JGBBVVYGYKLFRI-SJORKVTESA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235989686 819262914 /nfs/dbraw/zinc/26/29/14/819262914.db2.gz JGBBVVYGYKLFRI-SJORKVTESA-N 2 2 284.428 3.338 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235998307 819266816 /nfs/dbraw/zinc/26/68/16/819266816.db2.gz YGYZKBFWQPDMMY-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235998307 819266821 /nfs/dbraw/zinc/26/68/21/819266821.db2.gz YGYZKBFWQPDMMY-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)s1 ZINC001235998311 819267298 /nfs/dbraw/zinc/26/72/98/819267298.db2.gz YGYZKBFWQPDMMY-WFASDCNBSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)s1 ZINC001235998311 819267302 /nfs/dbraw/zinc/26/73/02/819267302.db2.gz YGYZKBFWQPDMMY-WFASDCNBSA-N 2 2 264.438 3.014 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236007527 819272652 /nfs/dbraw/zinc/27/26/52/819272652.db2.gz NXXOZPSUZWRAAS-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236007527 819272659 /nfs/dbraw/zinc/27/26/59/819272659.db2.gz NXXOZPSUZWRAAS-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010907 819273770 /nfs/dbraw/zinc/27/37/70/819273770.db2.gz TZQAKXHKWPEYPI-OAHLLOKOSA-N 2 2 278.465 3.291 20 0 CGADLP CC[N@@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010907 819273774 /nfs/dbraw/zinc/27/37/74/819273774.db2.gz TZQAKXHKWPEYPI-OAHLLOKOSA-N 2 2 278.465 3.291 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236050526 819287666 /nfs/dbraw/zinc/28/76/66/819287666.db2.gz UMLDDMMHBYCCPE-GDBMZVCRSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236050526 819287673 /nfs/dbraw/zinc/28/76/73/819287673.db2.gz UMLDDMMHBYCCPE-GDBMZVCRSA-N 2 2 298.430 3.408 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001236145339 819345779 /nfs/dbraw/zinc/34/57/79/819345779.db2.gz ZBMVZVDGMLFYNJ-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001236145339 819345784 /nfs/dbraw/zinc/34/57/84/819345784.db2.gz ZBMVZVDGMLFYNJ-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236205365 819367971 /nfs/dbraw/zinc/36/79/71/819367971.db2.gz DTRGCVKMJRGMGG-GOSISDBHSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236205365 819367977 /nfs/dbraw/zinc/36/79/77/819367977.db2.gz DTRGCVKMJRGMGG-GOSISDBHSA-N 2 2 290.451 3.295 20 0 CGADLP C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206347 819369178 /nfs/dbraw/zinc/36/91/78/819369178.db2.gz JWINVQAVIISNQS-SFHVURJKSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206347 819369182 /nfs/dbraw/zinc/36/91/82/819369182.db2.gz JWINVQAVIISNQS-SFHVURJKSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210493 819371289 /nfs/dbraw/zinc/37/12/89/819371289.db2.gz CXLDZSNNYUHNNO-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236210493 819371293 /nfs/dbraw/zinc/37/12/93/819371293.db2.gz CXLDZSNNYUHNNO-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217726 819383423 /nfs/dbraw/zinc/38/34/23/819383423.db2.gz PWOCSGPREVBDSA-JKSUJKDBSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217726 819383429 /nfs/dbraw/zinc/38/34/29/819383429.db2.gz PWOCSGPREVBDSA-JKSUJKDBSA-N 2 2 276.424 3.095 20 0 CGADLP CCC[N@H+](Cc1ccc2ccsc2c1)[C@H]1CC[NH2+]C1 ZINC001236323314 819426062 /nfs/dbraw/zinc/42/60/62/819426062.db2.gz DJTNLESJBIOUDY-HNNXBMFYSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CC[NH2+]C1 ZINC001236323314 819426065 /nfs/dbraw/zinc/42/60/65/819426065.db2.gz DJTNLESJBIOUDY-HNNXBMFYSA-N 2 2 274.433 3.475 20 0 CGADLP COCC[N@H+](CCCC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236330135 819428369 /nfs/dbraw/zinc/42/83/69/819428369.db2.gz TYWHAPNHXPBSNR-QGZVFWFLSA-N 2 2 282.472 3.047 20 0 CGADLP COCC[N@@H+](CCCC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236330135 819428373 /nfs/dbraw/zinc/42/83/73/819428373.db2.gz TYWHAPNHXPBSNR-QGZVFWFLSA-N 2 2 282.472 3.047 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001236422030 819469714 /nfs/dbraw/zinc/46/97/14/819469714.db2.gz XTELCBATRLXJAL-SJCJKPOMSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001236422030 819469716 /nfs/dbraw/zinc/46/97/16/819469716.db2.gz XTELCBATRLXJAL-SJCJKPOMSA-N 2 2 272.367 3.291 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001236437972 819479575 /nfs/dbraw/zinc/47/95/75/819479575.db2.gz ZDEWLQKHFUAXAZ-UHFFFAOYSA-N 2 2 255.365 3.076 20 0 CGADLP CC(C)[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468453 819489990 /nfs/dbraw/zinc/48/99/90/819489990.db2.gz GHGIEBXRRJSPIU-OAHLLOKOSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468453 819489992 /nfs/dbraw/zinc/48/99/92/819489992.db2.gz GHGIEBXRRJSPIU-OAHLLOKOSA-N 2 2 266.816 3.302 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236470948 819491339 /nfs/dbraw/zinc/49/13/39/819491339.db2.gz SQKSTWKBPNDXLL-MRXNPFEDSA-N 2 2 278.415 3.405 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236470948 819491342 /nfs/dbraw/zinc/49/13/42/819491342.db2.gz SQKSTWKBPNDXLL-MRXNPFEDSA-N 2 2 278.415 3.405 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(Cl)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474762 819492482 /nfs/dbraw/zinc/49/24/82/819492482.db2.gz NBMVUJICZRKUOW-CQSZACIVSA-N 2 2 296.842 3.256 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(Cl)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474762 819492485 /nfs/dbraw/zinc/49/24/85/819492485.db2.gz NBMVUJICZRKUOW-CQSZACIVSA-N 2 2 296.842 3.256 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236531041 819522368 /nfs/dbraw/zinc/52/23/68/819522368.db2.gz VILUJFNRXUPSMJ-LJQANCHMSA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236531041 819522374 /nfs/dbraw/zinc/52/23/74/819522374.db2.gz VILUJFNRXUPSMJ-LJQANCHMSA-N 2 2 295.430 3.321 20 0 CGADLP c1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cs1 ZINC001236648939 819560154 /nfs/dbraw/zinc/56/01/54/819560154.db2.gz ULTMHXSIEXRVPK-HNNXBMFYSA-N 2 2 264.438 3.245 20 0 CGADLP c1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cs1 ZINC001236648939 819560157 /nfs/dbraw/zinc/56/01/57/819560157.db2.gz ULTMHXSIEXRVPK-HNNXBMFYSA-N 2 2 264.438 3.245 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243477002 823415492 /nfs/dbraw/zinc/41/54/92/823415492.db2.gz HUFLCYMUPSWTFQ-UHFFFAOYSA-N 2 2 273.355 3.312 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC001236830348 819611378 /nfs/dbraw/zinc/61/13/78/819611378.db2.gz NHPWOFSHJDOREP-CYZMBNFOSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1Cl ZINC001236830348 819611383 /nfs/dbraw/zinc/61/13/83/819611383.db2.gz NHPWOFSHJDOREP-CYZMBNFOSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC001236898897 819632978 /nfs/dbraw/zinc/63/29/78/819632978.db2.gz ABLWCXFEZBXMRM-INIZCTEOSA-N 2 2 298.430 3.353 20 0 CGADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC001236898897 819632985 /nfs/dbraw/zinc/63/29/85/819632985.db2.gz ABLWCXFEZBXMRM-INIZCTEOSA-N 2 2 298.430 3.353 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+](C)C[C@H](C)[NH3+])c2)cc1 ZINC001236904445 819635429 /nfs/dbraw/zinc/63/54/29/819635429.db2.gz NKMZXNZWJFKWMG-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+](C)C[C@H](C)[NH3+])c2)cc1 ZINC001236904445 819635432 /nfs/dbraw/zinc/63/54/32/819635432.db2.gz NKMZXNZWJFKWMG-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001237330243 819729782 /nfs/dbraw/zinc/72/97/82/819729782.db2.gz OFUPQHFOFJBBRM-WMZOPIPTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001237330243 819729786 /nfs/dbraw/zinc/72/97/86/819729786.db2.gz OFUPQHFOFJBBRM-WMZOPIPTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001237330243 819729791 /nfs/dbraw/zinc/72/97/91/819729791.db2.gz OFUPQHFOFJBBRM-WMZOPIPTSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001237330243 819729794 /nfs/dbraw/zinc/72/97/94/819729794.db2.gz OFUPQHFOFJBBRM-WMZOPIPTSA-N 2 2 272.436 3.083 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)oc1C ZINC001237366203 819736078 /nfs/dbraw/zinc/73/60/78/819736078.db2.gz OYXMODPWFYLOIC-UHFFFAOYSA-N 2 2 296.414 3.491 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237735212 819825797 /nfs/dbraw/zinc/82/57/97/819825797.db2.gz MUEJNLWKLNVHLB-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001237917252 819882090 /nfs/dbraw/zinc/88/20/90/819882090.db2.gz PLUIEARSAPWRFV-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001237917252 819882101 /nfs/dbraw/zinc/88/21/01/819882101.db2.gz PLUIEARSAPWRFV-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CCOc1cc(C[N@H+](CC)C2CC[NH+](C)CC2)ccc1C ZINC001238080600 819926661 /nfs/dbraw/zinc/92/66/61/819926661.db2.gz QIJZQFQQOOOJRE-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1cc(C[N@@H+](CC)C2CC[NH+](C)CC2)ccc1C ZINC001238080600 819926664 /nfs/dbraw/zinc/92/66/64/819926664.db2.gz QIJZQFQQOOOJRE-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP Cc1ccc(O)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001238111121 819936056 /nfs/dbraw/zinc/93/60/56/819936056.db2.gz UANAYUSBQXCDSB-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1ccc(O)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001238111121 819936059 /nfs/dbraw/zinc/93/60/59/819936059.db2.gz UANAYUSBQXCDSB-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238111985 819936756 /nfs/dbraw/zinc/93/67/56/819936756.db2.gz AIAREGYBLVXDMZ-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238111985 819936759 /nfs/dbraw/zinc/93/67/59/819936759.db2.gz AIAREGYBLVXDMZ-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ncc(C)cc2C)CC1 ZINC001238438212 819998060 /nfs/dbraw/zinc/99/80/60/819998060.db2.gz RAOKSXJPCXEMGS-UHFFFAOYSA-N 2 2 289.467 3.395 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ncc(C)cc2C)CC1 ZINC001238438212 819998067 /nfs/dbraw/zinc/99/80/67/819998067.db2.gz RAOKSXJPCXEMGS-UHFFFAOYSA-N 2 2 289.467 3.395 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001238681900 820084009 /nfs/dbraw/zinc/08/40/09/820084009.db2.gz KSYXRBUGAPZMPT-NVXWUHKLSA-N 2 2 290.476 3.100 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001238681900 820084020 /nfs/dbraw/zinc/08/40/20/820084020.db2.gz KSYXRBUGAPZMPT-NVXWUHKLSA-N 2 2 290.476 3.100 20 0 CGADLP CCOc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239560671 820412304 /nfs/dbraw/zinc/41/23/04/820412304.db2.gz LTLXTDBNPILVTL-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239560671 820412311 /nfs/dbraw/zinc/41/23/11/820412311.db2.gz LTLXTDBNPILVTL-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001239681621 820518300 /nfs/dbraw/zinc/51/83/00/820518300.db2.gz OSLATVGQJPTPQL-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001240370455 820998963 /nfs/dbraw/zinc/99/89/63/820998963.db2.gz LOPGOQKUTULATL-UHFFFAOYSA-N 2 2 255.365 3.219 20 0 CGADLP CCOc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241116808 821571646 /nfs/dbraw/zinc/57/16/46/821571646.db2.gz RJALPGKATAHZKG-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241116808 821571652 /nfs/dbraw/zinc/57/16/52/821571652.db2.gz RJALPGKATAHZKG-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241116807 821571798 /nfs/dbraw/zinc/57/17/98/821571798.db2.gz RJALPGKATAHZKG-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241116807 821571805 /nfs/dbraw/zinc/57/18/05/821571805.db2.gz RJALPGKATAHZKG-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP C/C(=C\C=C\[NH3+])C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241504706 821905322 /nfs/dbraw/zinc/90/53/22/821905322.db2.gz YUGYKPFOWRLKDM-XMGCTDFHSA-N 2 2 254.377 3.237 20 0 CGADLP C/C(=C\C=C\[NH3+])C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241504706 821905330 /nfs/dbraw/zinc/90/53/30/821905330.db2.gz YUGYKPFOWRLKDM-XMGCTDFHSA-N 2 2 254.377 3.237 20 0 CGADLP COc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241682196 822065075 /nfs/dbraw/zinc/06/50/75/822065075.db2.gz WMNVTESZWBSZTQ-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241682196 822065086 /nfs/dbraw/zinc/06/50/86/822065086.db2.gz WMNVTESZWBSZTQ-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1N ZINC001241886012 822195011 /nfs/dbraw/zinc/19/50/11/822195011.db2.gz KTNFBVTYEKGDDC-SFHVURJKSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1N ZINC001241886012 822195016 /nfs/dbraw/zinc/19/50/16/822195016.db2.gz KTNFBVTYEKGDDC-SFHVURJKSA-N 2 2 295.430 3.086 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC001241915206 822215086 /nfs/dbraw/zinc/21/50/86/822215086.db2.gz SMBVJGFEAHPLQL-UHFFFAOYSA-N 2 2 263.344 3.213 20 0 CGADLP CCc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]c1 ZINC001339630460 936380368 /nfs/dbraw/zinc/38/03/68/936380368.db2.gz YNTBFVTYIVLPQA-NVXWUHKLSA-N 2 2 285.435 3.097 20 0 CGADLP CCc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]c1 ZINC001339630460 936380372 /nfs/dbraw/zinc/38/03/72/936380372.db2.gz YNTBFVTYIVLPQA-NVXWUHKLSA-N 2 2 285.435 3.097 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001343237269 936491945 /nfs/dbraw/zinc/49/19/45/936491945.db2.gz BIFDZCIQVRZPHZ-RDJZCZTQSA-N 2 2 287.451 3.347 20 0 CGADLP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001343665859 936509360 /nfs/dbraw/zinc/50/93/60/936509360.db2.gz RPQSHVVESGQZFX-OAHLLOKOSA-N 2 2 283.419 3.464 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001349636219 936955232 /nfs/dbraw/zinc/95/52/32/936955232.db2.gz HHPQOIPUWCDBMJ-MJGOQNOKSA-N 2 2 295.430 3.364 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001349636219 936955234 /nfs/dbraw/zinc/95/52/34/936955234.db2.gz HHPQOIPUWCDBMJ-MJGOQNOKSA-N 2 2 295.430 3.364 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC001307702898 927955334 /nfs/dbraw/zinc/95/53/34/927955334.db2.gz MDOUPTUJTLRACG-DMRKSPOLSA-N 2 2 266.473 3.379 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC001307702898 927955342 /nfs/dbraw/zinc/95/53/42/927955342.db2.gz MDOUPTUJTLRACG-DMRKSPOLSA-N 2 2 266.473 3.379 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC001461261937 928752217 /nfs/dbraw/zinc/75/22/17/928752217.db2.gz ZFUMTKFXQLCRPX-DLBZAZTESA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC001461261937 928752230 /nfs/dbraw/zinc/75/22/30/928752230.db2.gz ZFUMTKFXQLCRPX-DLBZAZTESA-N 2 2 284.488 3.149 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001462431557 937640665 /nfs/dbraw/zinc/64/06/65/937640665.db2.gz VEIHGTIBEWZCPZ-OAHLLOKOSA-N 2 2 290.451 3.306 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001462431557 937640668 /nfs/dbraw/zinc/64/06/68/937640668.db2.gz VEIHGTIBEWZCPZ-OAHLLOKOSA-N 2 2 290.451 3.306 20 0 CGADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)CC(C)(C)C ZINC001308067333 933042542 /nfs/dbraw/zinc/04/25/42/933042542.db2.gz CFQDQVCWDDJZFL-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)CC(C)(C)C ZINC001308067333 933042547 /nfs/dbraw/zinc/04/25/47/933042547.db2.gz CFQDQVCWDDJZFL-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)CC(C)(C)C ZINC001308067333 933042549 /nfs/dbraw/zinc/04/25/49/933042549.db2.gz CFQDQVCWDDJZFL-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)CC(C)(C)C ZINC001308067333 933042555 /nfs/dbraw/zinc/04/25/55/933042555.db2.gz CFQDQVCWDDJZFL-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC001308449822 933112690 /nfs/dbraw/zinc/11/26/90/933112690.db2.gz BPKPGHPTDHOZBX-MSOLQXFVSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC001308449822 933112691 /nfs/dbraw/zinc/11/26/91/933112691.db2.gz BPKPGHPTDHOZBX-MSOLQXFVSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1CCCCC1 ZINC001318480812 933731646 /nfs/dbraw/zinc/73/16/46/933731646.db2.gz VNVDSDBHXQHBBM-UHFFFAOYSA-N 2 2 298.390 3.485 20 0 CGADLP Cc1ccnc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320706838 934090967 /nfs/dbraw/zinc/09/09/67/934090967.db2.gz HWLSDKROXYWSHO-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccnc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320706838 934090974 /nfs/dbraw/zinc/09/09/74/934090974.db2.gz HWLSDKROXYWSHO-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001327416167 935058616 /nfs/dbraw/zinc/05/86/16/935058616.db2.gz PJOBYJVUBUDPHF-VIFPVBQESA-N 2 2 261.196 3.081 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530202 935293603 /nfs/dbraw/zinc/29/36/03/935293603.db2.gz WEWYUQSARCYTSH-KXBFYZLASA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530202 935293606 /nfs/dbraw/zinc/29/36/06/935293606.db2.gz WEWYUQSARCYTSH-KXBFYZLASA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530202 935293613 /nfs/dbraw/zinc/29/36/13/935293613.db2.gz WEWYUQSARCYTSH-KXBFYZLASA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530202 935293619 /nfs/dbraw/zinc/29/36/19/935293619.db2.gz WEWYUQSARCYTSH-KXBFYZLASA-N 2 2 299.462 3.272 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908501 935419990 /nfs/dbraw/zinc/41/99/90/935419990.db2.gz VYKZJSLDQFUKPT-YOEHRIQHSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908501 935419992 /nfs/dbraw/zinc/41/99/92/935419992.db2.gz VYKZJSLDQFUKPT-YOEHRIQHSA-N 2 2 281.403 3.074 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001332314467 935459427 /nfs/dbraw/zinc/45/94/27/935459427.db2.gz YUPKNZHYLSRIMB-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001332314467 935459430 /nfs/dbraw/zinc/45/94/30/935459430.db2.gz YUPKNZHYLSRIMB-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(-c2ccccc2)no1 ZINC001332361658 935461950 /nfs/dbraw/zinc/46/19/50/935461950.db2.gz QGWAKTOCZANXQG-HNNXBMFYSA-N 2 2 299.418 3.478 20 0 CGADLP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(Cl)c1 ZINC001473917487 937830173 /nfs/dbraw/zinc/83/01/73/937830173.db2.gz ATUQGWGLCJINNE-UHFFFAOYSA-N 2 2 296.842 3.314 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001474220977 937844839 /nfs/dbraw/zinc/84/48/39/937844839.db2.gz WEGJFYWNOFMVIS-WMZOPIPTSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001474220977 937844841 /nfs/dbraw/zinc/84/48/41/937844841.db2.gz WEGJFYWNOFMVIS-WMZOPIPTSA-N 2 2 274.452 3.329 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)cc1C ZINC001474325986 937851927 /nfs/dbraw/zinc/85/19/27/937851927.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)cc1C ZINC001474325986 937851929 /nfs/dbraw/zinc/85/19/29/937851929.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1C ZINC001474325986 937851931 /nfs/dbraw/zinc/85/19/31/937851931.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1C ZINC001474325986 937851933 /nfs/dbraw/zinc/85/19/33/937851933.db2.gz RHYOAYPBHHXUJC-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001474623315 937871177 /nfs/dbraw/zinc/87/11/77/937871177.db2.gz NKXLUFKPRHUIDL-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001474623315 937871179 /nfs/dbraw/zinc/87/11/79/937871179.db2.gz NKXLUFKPRHUIDL-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCc1cccc(Cl)c1 ZINC001474740391 937878007 /nfs/dbraw/zinc/87/80/07/937878007.db2.gz MOVRODAPACQBLS-INIZCTEOSA-N 2 2 282.859 3.448 20 0 CGADLP CSC(C)(C)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001474754483 937879370 /nfs/dbraw/zinc/87/93/70/937879370.db2.gz ANOVDAQUPJAQMJ-UHFFFAOYSA-N 2 2 281.469 3.131 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001550130233 938163178 /nfs/dbraw/zinc/16/31/78/938163178.db2.gz BFYFCRBOHMKCCL-OLZOCXBDSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001550130233 938163179 /nfs/dbraw/zinc/16/31/79/938163179.db2.gz BFYFCRBOHMKCCL-OLZOCXBDSA-N 2 2 283.366 3.035 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC001550539431 938167571 /nfs/dbraw/zinc/16/75/71/938167571.db2.gz UVVVYSMMSRMRJX-CVEARBPZSA-N 2 2 269.392 3.452 20 0 CGADLP Cc1ccc2[nH]c(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)[nH+]c2c1 ZINC001551225612 938178271 /nfs/dbraw/zinc/17/82/71/938178271.db2.gz MKZJPBDJMQVMSB-RRFJBIMHSA-N 2 2 298.434 3.038 20 0 CGADLP CCc1cc(N[C@@H](CC(C)C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC001559201133 938222162 /nfs/dbraw/zinc/22/21/62/938222162.db2.gz KMAIUVQAALEBQC-INIZCTEOSA-N 2 2 290.455 3.270 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001560361053 938255045 /nfs/dbraw/zinc/25/50/45/938255045.db2.gz HSABEIXKOSUJNA-DOMZBBRYSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001560361053 938255046 /nfs/dbraw/zinc/25/50/46/938255046.db2.gz HSABEIXKOSUJNA-DOMZBBRYSA-N 2 2 296.842 3.311 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001560611472 938264472 /nfs/dbraw/zinc/26/44/72/938264472.db2.gz ZESGMQRIVKXGQV-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001560611472 938264473 /nfs/dbraw/zinc/26/44/73/938264473.db2.gz ZESGMQRIVKXGQV-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001560860933 938280209 /nfs/dbraw/zinc/28/02/09/938280209.db2.gz ZWJHXBBSLPCUIL-SJORKVTESA-N 2 2 272.436 3.180 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001560860933 938280210 /nfs/dbraw/zinc/28/02/10/938280210.db2.gz ZWJHXBBSLPCUIL-SJORKVTESA-N 2 2 272.436 3.180 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC001561036162 938291036 /nfs/dbraw/zinc/29/10/36/938291036.db2.gz SYXLZGGOPFUDFQ-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC001561036162 938291038 /nfs/dbraw/zinc/29/10/38/938291038.db2.gz SYXLZGGOPFUDFQ-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP CC(C)(CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC001575304434 962364889 /nfs/dbraw/zinc/36/48/89/962364889.db2.gz BCVRDMCLTYPPHW-DLBZAZTESA-N 2 2 290.426 3.379 20 0 CGADLP CC(C)(CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C1CC1 ZINC001575304434 962364912 /nfs/dbraw/zinc/36/49/12/962364912.db2.gz BCVRDMCLTYPPHW-DLBZAZTESA-N 2 2 290.426 3.379 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC001575615297 962401207 /nfs/dbraw/zinc/40/12/07/962401207.db2.gz RCGKJPKTKVMTNY-HDMKZQKVSA-N 2 2 290.451 3.198 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC001576234355 962434175 /nfs/dbraw/zinc/43/41/75/962434175.db2.gz WENVSYTVEHARID-GRDNDAEWSA-N 2 2 288.435 3.193 20 0 CGADLP COc1cccc2cc(C[NH2+][C@](C)(C[NH3+])CC(C)C)oc21 ZINC001579294381 962618504 /nfs/dbraw/zinc/61/85/04/962618504.db2.gz YMRQFBUHFXEBPR-KRWDZBQOSA-N 2 2 290.407 3.295 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@]12CCC[C@H]1C[NH2+]C2 ZINC001579605489 962640199 /nfs/dbraw/zinc/64/01/99/962640199.db2.gz SWWGLMRVXMEYGO-BBRMVZONSA-N 2 2 278.827 3.189 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC001579605578 962640215 /nfs/dbraw/zinc/64/02/15/962640215.db2.gz VNZRYJNNJGJTST-CVEARBPZSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000621268480 349486363 /nfs/dbraw/zinc/48/63/63/349486363.db2.gz LUXWJVFCHKSVCI-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000621268480 349486365 /nfs/dbraw/zinc/48/63/65/349486365.db2.gz LUXWJVFCHKSVCI-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP Clc1cccc(CCCC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000621296021 349491101 /nfs/dbraw/zinc/49/11/01/349491101.db2.gz DBGBLMBVBJHEIW-UHFFFAOYSA-N 2 2 289.810 3.375 20 0 CGADLP Clc1cccc(CCCC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000621296021 349491103 /nfs/dbraw/zinc/49/11/03/349491103.db2.gz DBGBLMBVBJHEIW-UHFFFAOYSA-N 2 2 289.810 3.375 20 0 CGADLP Cc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)cc[nH+]1 ZINC000621298879 349492012 /nfs/dbraw/zinc/49/20/12/349492012.db2.gz NGJMCWYMGSIQIT-NEPJUHHUSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425532 214076868 /nfs/dbraw/zinc/07/68/68/214076868.db2.gz SFKKAIMOEYZJKX-YCPHGPKFSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425532 214076871 /nfs/dbraw/zinc/07/68/71/214076871.db2.gz SFKKAIMOEYZJKX-YCPHGPKFSA-N 2 2 290.455 3.132 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000621355850 349505907 /nfs/dbraw/zinc/50/59/07/349505907.db2.gz ZGWRCIGJMOVROM-NSHDSACASA-N 2 2 275.421 3.071 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000621355850 349505910 /nfs/dbraw/zinc/50/59/10/349505910.db2.gz ZGWRCIGJMOVROM-NSHDSACASA-N 2 2 275.421 3.071 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621378500 349512880 /nfs/dbraw/zinc/51/28/80/349512880.db2.gz XYSYNPYEISRWAW-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621378500 349512882 /nfs/dbraw/zinc/51/28/82/349512882.db2.gz XYSYNPYEISRWAW-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000337522392 214136963 /nfs/dbraw/zinc/13/69/63/214136963.db2.gz QALDMTCPADJDBW-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000337522392 214136964 /nfs/dbraw/zinc/13/69/64/214136964.db2.gz QALDMTCPADJDBW-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)no1 ZINC000337555022 214153552 /nfs/dbraw/zinc/15/35/52/214153552.db2.gz QTDBJOGYDMSJDP-CYBMUJFWSA-N 2 2 277.412 3.041 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)cc1 ZINC000127814893 187334642 /nfs/dbraw/zinc/33/46/42/187334642.db2.gz OWJNMOPINRKXNT-UHFFFAOYSA-N 2 2 272.392 3.296 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)s1 ZINC000621721498 349565557 /nfs/dbraw/zinc/56/55/57/349565557.db2.gz QRJFXZNYMFWEJG-XJKSGUPXSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)s1 ZINC000621721498 349565561 /nfs/dbraw/zinc/56/55/61/349565561.db2.gz QRJFXZNYMFWEJG-XJKSGUPXSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)s1 ZINC000621721498 349565563 /nfs/dbraw/zinc/56/55/63/349565563.db2.gz QRJFXZNYMFWEJG-XJKSGUPXSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000621721498 349565566 /nfs/dbraw/zinc/56/55/66/349565566.db2.gz QRJFXZNYMFWEJG-XJKSGUPXSA-N 2 2 278.465 3.227 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676047 398267536 /nfs/dbraw/zinc/26/75/36/398267536.db2.gz MNWZFSBGPLFXOQ-GXFFZTMASA-N 2 2 293.773 3.341 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000651666882 398265095 /nfs/dbraw/zinc/26/50/95/398265095.db2.gz QYFONDFOQCGDDN-OAHLLOKOSA-N 2 2 283.419 3.351 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693945 398270276 /nfs/dbraw/zinc/27/02/76/398270276.db2.gz JXKCPZIBGHWWGH-MFKMUULPSA-N 2 2 284.806 3.396 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1c(Cl)oc2ccccc21)C1CC1 ZINC000621775428 349585363 /nfs/dbraw/zinc/58/53/63/349585363.db2.gz OWCJFMGEHXXPCV-OAHLLOKOSA-N 2 2 278.783 3.303 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423294815 282954259 /nfs/dbraw/zinc/95/42/59/282954259.db2.gz CUFPICLOHHUCNT-AEFFLSMTSA-N 2 2 283.419 3.278 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651910886 398305176 /nfs/dbraw/zinc/30/51/76/398305176.db2.gz PSBBFKACWYPVSM-KJWYOANISA-N 2 2 270.420 3.066 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651910886 398305179 /nfs/dbraw/zinc/30/51/79/398305179.db2.gz PSBBFKACWYPVSM-KJWYOANISA-N 2 2 270.420 3.066 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000651977710 398314640 /nfs/dbraw/zinc/31/46/40/398314640.db2.gz XXVKQELBGVYXHO-CQSZACIVSA-N 2 2 269.392 3.065 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000651977710 398314641 /nfs/dbraw/zinc/31/46/41/398314641.db2.gz XXVKQELBGVYXHO-CQSZACIVSA-N 2 2 269.392 3.065 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437080247 529437247 /nfs/dbraw/zinc/43/72/47/529437247.db2.gz YZYVNTUIMQYAKH-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000590880668 346883066 /nfs/dbraw/zinc/88/30/66/346883066.db2.gz KZRLTOQYHKENCE-AWEZNQCLSA-N 2 2 292.386 3.427 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152979970 529519827 /nfs/dbraw/zinc/51/98/27/529519827.db2.gz PLDHDZIMXJJJRP-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152979970 529519830 /nfs/dbraw/zinc/51/98/30/529519830.db2.gz PLDHDZIMXJJJRP-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000358114975 529556374 /nfs/dbraw/zinc/55/63/74/529556374.db2.gz UYQQIRSONXYMIH-JQFCIGGWSA-N 2 2 288.435 3.002 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000358114975 529556378 /nfs/dbraw/zinc/55/63/78/529556378.db2.gz UYQQIRSONXYMIH-JQFCIGGWSA-N 2 2 288.435 3.002 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423513679 529611461 /nfs/dbraw/zinc/61/14/61/529611461.db2.gz VPAUBDXDKFFHHQ-YOEHRIQHSA-N 2 2 283.419 3.303 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089496 349758877 /nfs/dbraw/zinc/75/88/77/349758877.db2.gz KAQOQAGYXNOVLU-UKRRQHHQSA-N 2 2 288.426 3.379 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423245807 529620466 /nfs/dbraw/zinc/62/04/66/529620466.db2.gz YSNVQCRBBIATOV-OCCSQVGLSA-N 2 2 282.815 3.141 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423233435 529614122 /nfs/dbraw/zinc/61/41/22/529614122.db2.gz JVYPLSARKJIIJV-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccc1OC(F)F ZINC000423448874 529651061 /nfs/dbraw/zinc/65/10/61/529651061.db2.gz QQFYPYNXBTVMTD-SCVCMEIPSA-N 2 2 272.339 3.064 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423560605 529669396 /nfs/dbraw/zinc/66/93/96/529669396.db2.gz VEVLWYQIBMXQNG-RRQGHBQHSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000126237087 187227091 /nfs/dbraw/zinc/22/70/91/187227091.db2.gz CLLKQVUGPLKHAT-UHFFFAOYSA-N 2 2 263.410 3.032 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406075 349800665 /nfs/dbraw/zinc/80/06/65/349800665.db2.gz IXMJRAMTXGFMBW-STQMWFEESA-N 2 2 281.469 3.365 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406075 349800669 /nfs/dbraw/zinc/80/06/69/349800669.db2.gz IXMJRAMTXGFMBW-STQMWFEESA-N 2 2 281.469 3.365 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000591708621 346933513 /nfs/dbraw/zinc/93/35/13/346933513.db2.gz FVQPSJFHFUGAOT-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000591708621 346933517 /nfs/dbraw/zinc/93/35/17/346933517.db2.gz FVQPSJFHFUGAOT-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623451660 349813299 /nfs/dbraw/zinc/81/32/99/349813299.db2.gz FIDQBKNFPYEPDU-LBPRGKRZSA-N 2 2 281.469 3.229 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623451660 349813302 /nfs/dbraw/zinc/81/33/02/349813302.db2.gz FIDQBKNFPYEPDU-LBPRGKRZSA-N 2 2 281.469 3.229 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915781 346946441 /nfs/dbraw/zinc/94/64/41/346946441.db2.gz OSOHUTXGTOTAOV-IOMDMTNGSA-N 2 2 267.376 3.233 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915781 346946444 /nfs/dbraw/zinc/94/64/44/346946444.db2.gz OSOHUTXGTOTAOV-IOMDMTNGSA-N 2 2 267.376 3.233 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c[nH+]1 ZINC000351322967 219090683 /nfs/dbraw/zinc/09/06/83/219090683.db2.gz DKBOPWPQJWPBED-QZTJIDSGSA-N 2 2 298.434 3.293 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000623657522 349859750 /nfs/dbraw/zinc/85/97/50/349859750.db2.gz SUOQSDNJIXZODY-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000623657522 349859751 /nfs/dbraw/zinc/85/97/51/349859751.db2.gz SUOQSDNJIXZODY-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623729166 349871967 /nfs/dbraw/zinc/87/19/67/349871967.db2.gz QTJQWWLDRGUVBA-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(C)C[C@H]4C[C@H]4C3)n2c1 ZINC000623741009 349875113 /nfs/dbraw/zinc/87/51/13/349875113.db2.gz IEZPLWBOGVIDNS-XOIINTDNSA-N 2 2 269.392 3.169 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCCC34CC4)n2c1 ZINC000623824662 349890747 /nfs/dbraw/zinc/89/07/47/349890747.db2.gz MGIDGCNIHRYNHE-AWEZNQCLSA-N 2 2 269.392 3.313 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423243856 529978948 /nfs/dbraw/zinc/97/89/48/529978948.db2.gz KOOLZNPPRNHARV-OAHLLOKOSA-N 2 2 266.816 3.380 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000089615207 530057059 /nfs/dbraw/zinc/05/70/59/530057059.db2.gz HICCKBYPZQLWQF-MJGOQNOKSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000089615207 530057060 /nfs/dbraw/zinc/05/70/60/530057060.db2.gz HICCKBYPZQLWQF-MJGOQNOKSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040671643 344964814 /nfs/dbraw/zinc/96/48/14/344964814.db2.gz QIBPZEDMHVOUHW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040671643 344964816 /nfs/dbraw/zinc/96/48/16/344964816.db2.gz QIBPZEDMHVOUHW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037154391 344948288 /nfs/dbraw/zinc/94/82/88/344948288.db2.gz MHECOFKHIYSNOR-HUUCEWRRSA-N 2 2 264.413 3.065 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000044534761 345013257 /nfs/dbraw/zinc/01/32/57/345013257.db2.gz WAZKJNPFSBUKFV-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000044534761 345013260 /nfs/dbraw/zinc/01/32/60/345013260.db2.gz WAZKJNPFSBUKFV-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707470 345075069 /nfs/dbraw/zinc/07/50/69/345075069.db2.gz RGWVDOVIDBDMQO-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707470 345075071 /nfs/dbraw/zinc/07/50/71/345075071.db2.gz RGWVDOVIDBDMQO-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP CCc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1 ZINC000072921655 345421603 /nfs/dbraw/zinc/42/16/03/345421603.db2.gz CPVIVTDYZAURSV-UHFFFAOYSA-N 2 2 295.386 3.495 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000075760948 345522826 /nfs/dbraw/zinc/52/28/26/345522826.db2.gz WTTHFTHNBDBMAZ-UHFFFAOYSA-N 2 2 270.804 3.143 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586759 232220200 /nfs/dbraw/zinc/22/02/00/232220200.db2.gz JOPYNBCYNVCIBI-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586759 232220203 /nfs/dbraw/zinc/22/02/03/232220203.db2.gz JOPYNBCYNVCIBI-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP c1cc2[nH+]ccc(NC3CC[NH+](C4CCCC4)CC3)c2cn1 ZINC000085689419 345747584 /nfs/dbraw/zinc/74/75/84/345747584.db2.gz FBIAZEXEUUOTOD-UHFFFAOYSA-N 2 2 296.418 3.449 20 0 CGADLP Cc1cc(NCCCn2cc[nH+]c2)c2cccc(F)c2[nH+]1 ZINC000091425008 345813346 /nfs/dbraw/zinc/81/33/46/345813346.db2.gz VMVKADSVANCQTL-UHFFFAOYSA-N 2 2 284.338 3.381 20 0 CGADLP CC[N@H+](C)CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000091461761 345814819 /nfs/dbraw/zinc/81/48/19/345814819.db2.gz OFBNAIFZKXFJON-UHFFFAOYSA-N 2 2 261.344 3.046 20 0 CGADLP CC[N@@H+](C)CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000091461761 345814821 /nfs/dbraw/zinc/81/48/21/345814821.db2.gz OFBNAIFZKXFJON-UHFFFAOYSA-N 2 2 261.344 3.046 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047720 345779320 /nfs/dbraw/zinc/77/93/20/345779320.db2.gz UUXJCTRPTVWDKN-CVEARBPZSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000090047493 345779620 /nfs/dbraw/zinc/77/96/20/345779620.db2.gz RINFUOWAFHNPPG-ZIAGYGMSSA-N 2 2 296.842 3.101 20 0 CGADLP CC(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090724527 345792926 /nfs/dbraw/zinc/79/29/26/345792926.db2.gz ZSZMEPFJMPKHHU-HNNXBMFYSA-N 2 2 275.440 3.070 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000090847182 345796208 /nfs/dbraw/zinc/79/62/08/345796208.db2.gz SFCAAQDZFAJZID-CYBMUJFWSA-N 2 2 258.365 3.439 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000090847352 345796401 /nfs/dbraw/zinc/79/64/01/345796401.db2.gz GQKYJTUSHSNNOB-UHFFFAOYSA-N 2 2 295.430 3.191 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(F)c1 ZINC000091892991 345825054 /nfs/dbraw/zinc/82/50/54/345825054.db2.gz KEOVYQHCZNVFFS-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(F)c1 ZINC000091892991 345825056 /nfs/dbraw/zinc/82/50/56/345825056.db2.gz KEOVYQHCZNVFFS-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(F)c1 ZINC000091892991 345825060 /nfs/dbraw/zinc/82/50/60/345825060.db2.gz KEOVYQHCZNVFFS-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(F)c1 ZINC000091892991 345825063 /nfs/dbraw/zinc/82/50/63/345825063.db2.gz KEOVYQHCZNVFFS-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(C)ccc1C ZINC000623998071 349940581 /nfs/dbraw/zinc/94/05/81/349940581.db2.gz FYIXLWDHEDNXOI-QGZVFWFLSA-N 2 2 271.408 3.320 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000128869490 346044718 /nfs/dbraw/zinc/04/47/18/346044718.db2.gz IRLILEOEVFOYOW-MHDGFBEUSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000128869490 346044719 /nfs/dbraw/zinc/04/47/19/346044719.db2.gz IRLILEOEVFOYOW-MHDGFBEUSA-N 2 2 290.373 3.322 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000150992072 346135009 /nfs/dbraw/zinc/13/50/09/346135009.db2.gz LWYSDNUDTLIZJA-INIZCTEOSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC1(F)CC1)c1ccccc1 ZINC000525985454 260290354 /nfs/dbraw/zinc/29/03/54/260290354.db2.gz MSJBCBWYJDUXAO-ZDUSSCGKSA-N 2 2 264.388 3.208 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249047083 346380720 /nfs/dbraw/zinc/38/07/20/346380720.db2.gz WLWSCIUYOYEVDA-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249047083 346380721 /nfs/dbraw/zinc/38/07/21/346380721.db2.gz WLWSCIUYOYEVDA-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000624101455 349970568 /nfs/dbraw/zinc/97/05/68/349970568.db2.gz HCTXJOXMUTYYRT-YESZJQIVSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000624101455 349970569 /nfs/dbraw/zinc/97/05/69/349970569.db2.gz HCTXJOXMUTYYRT-YESZJQIVSA-N 2 2 287.451 3.100 20 0 CGADLP CC[C@@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000589639018 346804575 /nfs/dbraw/zinc/80/45/75/346804575.db2.gz NIUUKUQFSITWSO-KRWDZBQOSA-N 2 2 274.452 3.459 20 0 CGADLP CC[C@@H](C[NH2+]CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000589639018 346804579 /nfs/dbraw/zinc/80/45/79/346804579.db2.gz NIUUKUQFSITWSO-KRWDZBQOSA-N 2 2 274.452 3.459 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000594748436 347216482 /nfs/dbraw/zinc/21/64/82/347216482.db2.gz SHSSJWGWCDXBFL-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000594748436 347216486 /nfs/dbraw/zinc/21/64/86/347216486.db2.gz SHSSJWGWCDXBFL-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP CSCC1(CC[NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000594964118 347243959 /nfs/dbraw/zinc/24/39/59/347243959.db2.gz VXMHYAQQGRNYJQ-UHFFFAOYSA-N 2 2 289.448 3.266 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1Br ZINC000123677000 535064441 /nfs/dbraw/zinc/06/44/41/535064441.db2.gz SZIKFJLDKMDXEX-CQSZACIVSA-N 2 2 299.256 3.254 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1Br ZINC000123677000 535064448 /nfs/dbraw/zinc/06/44/48/535064448.db2.gz SZIKFJLDKMDXEX-CQSZACIVSA-N 2 2 299.256 3.254 20 0 CGADLP Cc1sccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000339383325 215136097 /nfs/dbraw/zinc/13/60/97/215136097.db2.gz ZSGRHKMGAZBZDO-UHFFFAOYSA-N 2 2 264.438 3.163 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000605150886 348148695 /nfs/dbraw/zinc/14/86/95/348148695.db2.gz WRJWBXVMPRXIHQ-OAHLLOKOSA-N 2 2 278.465 3.241 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000605150886 348148696 /nfs/dbraw/zinc/14/86/96/348148696.db2.gz WRJWBXVMPRXIHQ-OAHLLOKOSA-N 2 2 278.465 3.241 20 0 CGADLP Cn1cc[nH+]c1C[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000608094341 348285704 /nfs/dbraw/zinc/28/57/04/348285704.db2.gz XMAQTPGRYJJIQG-OAHLLOKOSA-N 2 2 278.359 3.211 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000273385746 192133926 /nfs/dbraw/zinc/13/39/26/192133926.db2.gz NOBNACPFGSIAQG-CYBMUJFWSA-N 2 2 296.374 3.197 20 0 CGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C[C@H]2C[C@H]2C1 ZINC000624199012 349999675 /nfs/dbraw/zinc/99/96/75/349999675.db2.gz DMKNZRSDZDYYLI-DZFIZOCASA-N 2 2 299.462 3.072 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255148 350147973 /nfs/dbraw/zinc/14/79/73/350147973.db2.gz MJUARSXZECEDFG-BLLLJJGKSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255148 350147977 /nfs/dbraw/zinc/14/79/77/350147977.db2.gz MJUARSXZECEDFG-BLLLJJGKSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255148 350147981 /nfs/dbraw/zinc/14/79/81/350147981.db2.gz MJUARSXZECEDFG-BLLLJJGKSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255148 350147983 /nfs/dbraw/zinc/14/79/83/350147983.db2.gz MJUARSXZECEDFG-BLLLJJGKSA-N 2 2 296.842 3.208 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279518 191047506 /nfs/dbraw/zinc/04/75/06/191047506.db2.gz LSSLNBZXHJBLEM-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279518 191047510 /nfs/dbraw/zinc/04/75/10/191047510.db2.gz LSSLNBZXHJBLEM-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279518 191047512 /nfs/dbraw/zinc/04/75/12/191047512.db2.gz LSSLNBZXHJBLEM-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279518 191047514 /nfs/dbraw/zinc/04/75/14/191047514.db2.gz LSSLNBZXHJBLEM-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccsc1Cl ZINC000359700058 233360580 /nfs/dbraw/zinc/36/05/80/233360580.db2.gz LOLAQWHTNMENJS-UHFFFAOYSA-N 2 2 266.797 3.437 20 0 CGADLP CCC[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)OCC ZINC000628381721 350520579 /nfs/dbraw/zinc/52/05/79/350520579.db2.gz RBLQZAFVSIJBIT-INIZCTEOSA-N 2 2 264.413 3.117 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000629525773 350701997 /nfs/dbraw/zinc/70/19/97/350701997.db2.gz BITGPLIOVGENRK-BFHYXJOUSA-N 2 2 280.412 3.093 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)sc1C ZINC000629525753 350702552 /nfs/dbraw/zinc/70/25/52/350702552.db2.gz AVSXYEZTBBKPLQ-LEWSCRJBSA-N 2 2 252.427 3.156 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000629527224 350703022 /nfs/dbraw/zinc/70/30/22/350703022.db2.gz OMDMSAWPGIPPOZ-HRCADAONSA-N 2 2 264.413 3.487 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)ccc1F ZINC000629540689 350707453 /nfs/dbraw/zinc/70/74/53/350707453.db2.gz SGHCIWQQJLOHPT-XGWLTEMNSA-N 2 2 276.399 3.315 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C[NH2+]1 ZINC000629540648 350707489 /nfs/dbraw/zinc/70/74/89/350707489.db2.gz RRRZOTGGAVJTBC-MBNYWOFBSA-N 2 2 262.397 3.023 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C[NH2+]1 ZINC000629540664 350707617 /nfs/dbraw/zinc/70/76/17/350707617.db2.gz SERWEMKIEXRJMH-BLFANLJRSA-N 2 2 282.478 3.404 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[NH2+]1 ZINC000629541410 350707660 /nfs/dbraw/zinc/70/76/60/350707660.db2.gz UVXIDRRUMAEAJU-JMSVASOKSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000629395718 350688306 /nfs/dbraw/zinc/68/83/06/350688306.db2.gz QHYGLNCGQSCULU-TVQRCGJNSA-N 2 2 273.207 3.224 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc12 ZINC000629396365 350688616 /nfs/dbraw/zinc/68/86/16/350688616.db2.gz LEBCEEHZAUCPBH-HIFRSBDPSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000629396350 350688624 /nfs/dbraw/zinc/68/86/24/350688624.db2.gz YJYWQAHGUOCMQV-KOLCDFICSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000629515444 350700001 /nfs/dbraw/zinc/70/00/01/350700001.db2.gz TVGPFLQAMJTOBJ-KSSFIOAISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000629515444 350700002 /nfs/dbraw/zinc/70/00/02/350700002.db2.gz TVGPFLQAMJTOBJ-KSSFIOAISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1C(F)(F)F ZINC000629659471 350732311 /nfs/dbraw/zinc/73/23/11/350732311.db2.gz AKIZISPEONKVBI-YPMHNXCESA-N 2 2 286.341 3.244 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629660489 350732605 /nfs/dbraw/zinc/73/26/05/350732605.db2.gz UZJMEESHPBJPDC-GXTWGEPZSA-N 2 2 264.438 3.029 20 0 CGADLP FC(F)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000631127621 350963408 /nfs/dbraw/zinc/96/34/08/350963408.db2.gz ZRHQOLVRZNKTBF-UHFFFAOYSA-N 2 2 295.377 3.126 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173018 350978248 /nfs/dbraw/zinc/97/82/48/350978248.db2.gz NEWZQVSHKBDELZ-SJORKVTESA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173018 350978250 /nfs/dbraw/zinc/97/82/50/350978250.db2.gz NEWZQVSHKBDELZ-SJORKVTESA-N 2 2 281.403 3.155 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000631650329 351106374 /nfs/dbraw/zinc/10/63/74/351106374.db2.gz NMTMXXKEIIRBIE-QAPCUYQASA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000631650329 351106376 /nfs/dbraw/zinc/10/63/76/351106376.db2.gz NMTMXXKEIIRBIE-QAPCUYQASA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000631624887 351094214 /nfs/dbraw/zinc/09/42/14/351094214.db2.gz SFJDGCUJTSWHQU-JTTJXQCZSA-N 2 2 285.435 3.066 20 0 CGADLP CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1F ZINC000634995332 351619217 /nfs/dbraw/zinc/61/92/17/351619217.db2.gz AXNGYLOPKLHUJT-YWCUFVOSSA-N 2 2 280.362 3.148 20 0 CGADLP Clc1ccc([C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991663 351619447 /nfs/dbraw/zinc/61/94/47/351619447.db2.gz NEJIXBYTYRDFQG-DSSZZKGTSA-N 2 2 276.811 3.229 20 0 CGADLP Clc1ccc([C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991663 351619448 /nfs/dbraw/zinc/61/94/48/351619448.db2.gz NEJIXBYTYRDFQG-DSSZZKGTSA-N 2 2 276.811 3.229 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000291588747 198044472 /nfs/dbraw/zinc/04/44/72/198044472.db2.gz POOQRBNWDHDIJG-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000291588747 198044473 /nfs/dbraw/zinc/04/44/73/198044473.db2.gz POOQRBNWDHDIJG-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000123064993 187069523 /nfs/dbraw/zinc/06/95/23/187069523.db2.gz KVKSNZQFRYGDRY-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@H+]1C ZINC000123064993 187069524 /nfs/dbraw/zinc/06/95/24/187069524.db2.gz KVKSNZQFRYGDRY-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123064993 187069525 /nfs/dbraw/zinc/06/95/25/187069525.db2.gz KVKSNZQFRYGDRY-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123064993 187069526 /nfs/dbraw/zinc/06/95/26/187069526.db2.gz KVKSNZQFRYGDRY-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123001942 187065269 /nfs/dbraw/zinc/06/52/69/187065269.db2.gz VSZBTLPZPUOUFA-HUBLWGQQSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123001942 187065270 /nfs/dbraw/zinc/06/52/70/187065270.db2.gz VSZBTLPZPUOUFA-HUBLWGQQSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)cc(F)c1 ZINC000367439698 234215334 /nfs/dbraw/zinc/21/53/34/234215334.db2.gz WILZDKAFALSTBN-NSHDSACASA-N 2 2 291.345 3.348 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000368102976 234284722 /nfs/dbraw/zinc/28/47/22/234284722.db2.gz REFYVOYDRMAURA-PBHICJAKSA-N 2 2 267.376 3.008 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000368102976 234284726 /nfs/dbraw/zinc/28/47/26/234284726.db2.gz REFYVOYDRMAURA-PBHICJAKSA-N 2 2 267.376 3.008 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152449362 188019368 /nfs/dbraw/zinc/01/93/68/188019368.db2.gz YAHQUSHQYFKJJU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152449362 188019370 /nfs/dbraw/zinc/01/93/70/188019370.db2.gz YAHQUSHQYFKJJU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000152449362 188019371 /nfs/dbraw/zinc/01/93/71/188019371.db2.gz YAHQUSHQYFKJJU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152449362 188019373 /nfs/dbraw/zinc/01/93/73/188019373.db2.gz YAHQUSHQYFKJJU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154561754 188150789 /nfs/dbraw/zinc/15/07/89/188150789.db2.gz ZGQVMIYZWMWKLM-NEPJUHHUSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000154561754 188150790 /nfs/dbraw/zinc/15/07/90/188150790.db2.gz ZGQVMIYZWMWKLM-NEPJUHHUSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1cc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000271887863 191392291 /nfs/dbraw/zinc/39/22/91/191392291.db2.gz VEIQWINUMSVDIF-QGZVFWFLSA-N 2 2 287.382 3.462 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414114368 235339267 /nfs/dbraw/zinc/33/92/67/235339267.db2.gz LNUJHSGNTPNXGP-DVOMOZLQSA-N 2 2 255.365 3.006 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCC34CCC4)c2)c[nH+]1 ZINC000336347140 213195252 /nfs/dbraw/zinc/19/52/52/213195252.db2.gz XQJAGELWQAQKAD-UHFFFAOYSA-N 2 2 259.378 3.062 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCC34CCC4)c2)c[nH+]1 ZINC000336347140 213195254 /nfs/dbraw/zinc/19/52/54/213195254.db2.gz XQJAGELWQAQKAD-UHFFFAOYSA-N 2 2 259.378 3.062 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415074191 235524958 /nfs/dbraw/zinc/52/49/58/235524958.db2.gz ZQRQYCHWSIJDEI-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000128187588 138392531 /nfs/dbraw/zinc/39/25/31/138392531.db2.gz IERHZMUBXGSXAU-MRXNPFEDSA-N 2 2 282.387 3.402 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000128187588 138392533 /nfs/dbraw/zinc/39/25/33/138392533.db2.gz IERHZMUBXGSXAU-MRXNPFEDSA-N 2 2 282.387 3.402 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423232195 236004787 /nfs/dbraw/zinc/00/47/87/236004787.db2.gz HTHUDSCQDQPVTQ-KSSFIOAISA-N 2 2 281.403 3.151 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239410 236006673 /nfs/dbraw/zinc/00/66/73/236006673.db2.gz JZOXYIWGYQXGKW-QZTJIDSGSA-N 2 2 266.388 3.272 20 0 CGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423243100 236007228 /nfs/dbraw/zinc/00/72/28/236007228.db2.gz MSAVTTKSSABDEG-WMLDXEAASA-N 2 2 298.434 3.259 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423251456 236008623 /nfs/dbraw/zinc/00/86/23/236008623.db2.gz WGKUFUAEWKUENW-KBPBESRZSA-N 2 2 287.432 3.119 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000423251088 236008847 /nfs/dbraw/zinc/00/88/47/236008847.db2.gz VYXQDCQHUYYCRN-IRXDYDNUSA-N 2 2 270.351 3.103 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423264620 236013866 /nfs/dbraw/zinc/01/38/66/236013866.db2.gz AJUCEPNQNOUBGB-BXKDBHETSA-N 2 2 281.469 3.137 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc2c1 ZINC000423273819 236017215 /nfs/dbraw/zinc/01/72/15/236017215.db2.gz JNHBAFHNUIQNLW-SMDDNHRTSA-N 2 2 258.365 3.129 20 0 CGADLP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000423307993 236033294 /nfs/dbraw/zinc/03/32/94/236033294.db2.gz WVQPHWZCGZJSHC-ZETCQYMHSA-N 2 2 277.170 3.003 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321123 236037566 /nfs/dbraw/zinc/03/75/66/236037566.db2.gz MTZPXCYZBNXSGV-BXUZGUMPSA-N 2 2 258.365 3.129 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(Br)c1 ZINC000423362597 236050262 /nfs/dbraw/zinc/05/02/62/236050262.db2.gz NCLZXSRDPQVNIU-SUNKGSAMSA-N 2 2 297.240 3.098 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c2ccccc12 ZINC000423376799 236055599 /nfs/dbraw/zinc/05/55/99/236055599.db2.gz YPPCFVDOFYLPEK-GLJUWKHASA-N 2 2 298.430 3.497 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCC[N@@H+](C)C(C)C)c(F)c1 ZINC000424135393 236122585 /nfs/dbraw/zinc/12/25/85/236122585.db2.gz PDOUEJKMUOFTEV-UHFFFAOYSA-N 2 2 270.367 3.093 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCC[N@H+](C)C(C)C)c(F)c1 ZINC000424135393 236122590 /nfs/dbraw/zinc/12/25/90/236122590.db2.gz PDOUEJKMUOFTEV-UHFFFAOYSA-N 2 2 270.367 3.093 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC000424144818 236124647 /nfs/dbraw/zinc/12/46/47/236124647.db2.gz MCWRQGRWWGPESV-UHFFFAOYSA-N 2 2 291.345 3.260 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000424263754 236137883 /nfs/dbraw/zinc/13/78/83/236137883.db2.gz GFFRLUAWPSJVEX-RYUDHWBXSA-N 2 2 284.831 3.339 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427871150 236351186 /nfs/dbraw/zinc/35/11/86/236351186.db2.gz HYLGMTKDSCSZFY-RDBSUJKOSA-N 2 2 261.413 3.002 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436270585 237063461 /nfs/dbraw/zinc/06/34/61/237063461.db2.gz NQHWLZCHPDCRNN-SJORKVTESA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436298154 237072736 /nfs/dbraw/zinc/07/27/36/237072736.db2.gz YTHYTCSSHHERGO-UIXUWTQFSA-N 2 2 298.474 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436298154 237072742 /nfs/dbraw/zinc/07/27/42/237072742.db2.gz YTHYTCSSHHERGO-UIXUWTQFSA-N 2 2 298.474 3.470 20 0 CGADLP CC[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884842 216136686 /nfs/dbraw/zinc/13/66/86/216136686.db2.gz DMLKQDZAHTUYOE-SJLPKXTDSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884842 216136689 /nfs/dbraw/zinc/13/66/89/216136689.db2.gz DMLKQDZAHTUYOE-SJLPKXTDSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341884842 216136691 /nfs/dbraw/zinc/13/66/91/216136691.db2.gz DMLKQDZAHTUYOE-SJLPKXTDSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341884842 216136694 /nfs/dbraw/zinc/13/66/94/216136694.db2.gz DMLKQDZAHTUYOE-SJLPKXTDSA-N 2 2 290.451 3.008 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)C(C)C ZINC000177176813 189034620 /nfs/dbraw/zinc/03/46/20/189034620.db2.gz CWRVAJSEVJEYMW-AWEZNQCLSA-N 2 2 272.396 3.134 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)C(C)C ZINC000177176813 189034621 /nfs/dbraw/zinc/03/46/21/189034621.db2.gz CWRVAJSEVJEYMW-AWEZNQCLSA-N 2 2 272.396 3.134 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000178137762 189092491 /nfs/dbraw/zinc/09/24/91/189092491.db2.gz NDVPAEDMTRYRCT-RDJZCZTQSA-N 2 2 278.440 3.002 20 0 CGADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000179672780 189212487 /nfs/dbraw/zinc/21/24/87/189212487.db2.gz KPULERPGWJHOJM-UHFFFAOYSA-N 2 2 277.799 3.452 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccccc1 ZINC000301447427 201010874 /nfs/dbraw/zinc/01/08/74/201010874.db2.gz RNIGVVHLVOONSC-OAHLLOKOSA-N 2 2 298.434 3.489 20 0 CGADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000301520815 201044220 /nfs/dbraw/zinc/04/42/20/201044220.db2.gz NFKGJBONZZWCIF-VXGBXAGGSA-N 2 2 267.804 3.267 20 0 CGADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000301520815 201044224 /nfs/dbraw/zinc/04/42/24/201044224.db2.gz NFKGJBONZZWCIF-VXGBXAGGSA-N 2 2 267.804 3.267 20 0 CGADLP Cc1ccc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182787497 189335021 /nfs/dbraw/zinc/33/50/21/189335021.db2.gz CIRAQDDBMKJATB-UHFFFAOYSA-N 2 2 299.418 3.125 20 0 CGADLP Cc1nc(NC2CC[NH+](C3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301701335 201149352 /nfs/dbraw/zinc/14/93/52/201149352.db2.gz SSWOJPYKIKCLEJ-UHFFFAOYSA-N 2 2 288.439 3.221 20 0 CGADLP Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301715130 201156237 /nfs/dbraw/zinc/15/62/37/201156237.db2.gz ZRNXPSXOYKLMAA-GFCCVEGCSA-N 2 2 290.455 3.324 20 0 CGADLP Cc1nc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301715130 201156241 /nfs/dbraw/zinc/15/62/41/201156241.db2.gz ZRNXPSXOYKLMAA-GFCCVEGCSA-N 2 2 290.455 3.324 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000183755310 189367507 /nfs/dbraw/zinc/36/75/07/189367507.db2.gz AVAOUJTWGOSTOD-UHFFFAOYSA-N 2 2 276.399 3.277 20 0 CGADLP C[NH+](C)CCNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000301952925 201274122 /nfs/dbraw/zinc/27/41/22/201274122.db2.gz HPLRRODVKQEIJP-UHFFFAOYSA-N 2 2 278.444 3.045 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1NCCn1cc[nH+]c1 ZINC000302115153 201348167 /nfs/dbraw/zinc/34/81/67/201348167.db2.gz CHZWESQNBMKQJQ-UHFFFAOYSA-N 2 2 280.375 3.414 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000119884522 370719379 /nfs/dbraw/zinc/71/93/79/370719379.db2.gz GXVZVDJQHWKBLX-NUJGCVRESA-N 2 2 290.451 3.227 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000120209570 370749234 /nfs/dbraw/zinc/74/92/34/370749234.db2.gz VWQNYSYMXOEATE-UHFFFAOYSA-N 2 2 298.312 3.132 20 0 CGADLP Cc1ccc2[nH+]c(Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)cn2c1 ZINC000451003501 240189138 /nfs/dbraw/zinc/18/91/38/240189138.db2.gz VADWVWZXVVNVCK-KGLIPLIRSA-N 2 2 294.402 3.258 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000474604319 299351123 /nfs/dbraw/zinc/35/11/23/299351123.db2.gz HGUXCZXRCPEWJF-YJBOKZPZSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451187940 240241326 /nfs/dbraw/zinc/24/13/26/240241326.db2.gz PYTRUJOCELPTMG-RVKKMQEKSA-N 2 2 283.419 3.458 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000451187940 240241329 /nfs/dbraw/zinc/24/13/29/240241329.db2.gz PYTRUJOCELPTMG-RVKKMQEKSA-N 2 2 283.419 3.458 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000451350554 240279373 /nfs/dbraw/zinc/27/93/73/240279373.db2.gz DFVVQZJBDIJAAW-HNNXBMFYSA-N 2 2 293.773 3.417 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCCCOc1ccccc1 ZINC000275711653 193111368 /nfs/dbraw/zinc/11/13/68/193111368.db2.gz LBFKYLYVLJQMFS-INIZCTEOSA-N 2 2 287.407 3.111 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275741797 193117766 /nfs/dbraw/zinc/11/77/66/193117766.db2.gz RIWZKRUOOKRGTP-NXHRZFHOSA-N 2 2 283.419 3.273 20 0 CGADLP COc1ccc2ccccc2c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335562360 212270487 /nfs/dbraw/zinc/27/04/87/212270487.db2.gz TYRWNRJFBRJAAL-UHFFFAOYSA-N 2 2 296.414 3.176 20 0 CGADLP CCCC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000459319402 242070732 /nfs/dbraw/zinc/07/07/32/242070732.db2.gz DCOYWBWKBDZFKA-UHFFFAOYSA-N 2 2 289.398 3.404 20 0 CGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000459319402 242070737 /nfs/dbraw/zinc/07/07/37/242070737.db2.gz DCOYWBWKBDZFKA-UHFFFAOYSA-N 2 2 289.398 3.404 20 0 CGADLP CCC(CC)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)on1 ZINC000459418226 242101430 /nfs/dbraw/zinc/10/14/30/242101430.db2.gz IPYBRFOANBFBRD-UHFFFAOYSA-N 2 2 291.439 3.295 20 0 CGADLP Cc1csc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)n1 ZINC000459422884 242103203 /nfs/dbraw/zinc/10/32/03/242103203.db2.gz OKUCMKXRUKAFOB-OAHLLOKOSA-N 2 2 291.464 3.119 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000459484204 242123236 /nfs/dbraw/zinc/12/32/36/242123236.db2.gz GSIZIMUZQKSRAS-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000459484204 242123245 /nfs/dbraw/zinc/12/32/45/242123245.db2.gz GSIZIMUZQKSRAS-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000459658005 242165453 /nfs/dbraw/zinc/16/54/53/242165453.db2.gz IOFXTHXTFZWQMY-FUHWJXTLSA-N 2 2 283.419 3.063 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(C)(C)C1 ZINC000459739500 242201716 /nfs/dbraw/zinc/20/17/16/242201716.db2.gz SQSDOEQGKCXUFQ-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(C)(C)C1 ZINC000459739500 242201720 /nfs/dbraw/zinc/20/17/20/242201720.db2.gz SQSDOEQGKCXUFQ-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000480671278 243159761 /nfs/dbraw/zinc/15/97/61/243159761.db2.gz RSFRXZCAMIALNC-KSSFIOAISA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000480671278 243159764 /nfs/dbraw/zinc/15/97/64/243159764.db2.gz RSFRXZCAMIALNC-KSSFIOAISA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000480671273 243159989 /nfs/dbraw/zinc/15/99/89/243159989.db2.gz RSFRXZCAMIALNC-KBXCAEBGSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000480671273 243159994 /nfs/dbraw/zinc/15/99/94/243159994.db2.gz RSFRXZCAMIALNC-KBXCAEBGSA-N 2 2 272.436 3.382 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034340 243134661 /nfs/dbraw/zinc/13/46/61/243134661.db2.gz AXQQSMPOEAELIH-CJNGLKHVSA-N 2 2 292.854 3.301 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034340 243134664 /nfs/dbraw/zinc/13/46/64/243134664.db2.gz AXQQSMPOEAELIH-CJNGLKHVSA-N 2 2 292.854 3.301 20 0 CGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000482890289 243249886 /nfs/dbraw/zinc/24/98/86/243249886.db2.gz RFTMVOFDCLLRAV-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000482890289 243249890 /nfs/dbraw/zinc/24/98/90/243249890.db2.gz RFTMVOFDCLLRAV-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000482440409 243225686 /nfs/dbraw/zinc/22/56/86/243225686.db2.gz QKZQTLPOHMOMGA-BMGDILEWSA-N 2 2 272.436 3.458 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000482440409 243225692 /nfs/dbraw/zinc/22/56/92/243225692.db2.gz QKZQTLPOHMOMGA-BMGDILEWSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000484479230 243313350 /nfs/dbraw/zinc/31/33/50/243313350.db2.gz WVQRQDZDDHCJBX-NVXWUHKLSA-N 2 2 292.492 3.391 20 0 CGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC1(C)C ZINC000486950586 243383588 /nfs/dbraw/zinc/38/35/88/243383588.db2.gz MAKUBYWRNDZFCN-USXIJHARSA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020562664 368808970 /nfs/dbraw/zinc/80/89/70/368808970.db2.gz QPXURSICKAXISU-DOTOQJQBSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000019913262 368781387 /nfs/dbraw/zinc/78/13/87/368781387.db2.gz GTYGARFMOGNLQC-HNNXBMFYSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000019913262 368781390 /nfs/dbraw/zinc/78/13/90/368781390.db2.gz GTYGARFMOGNLQC-HNNXBMFYSA-N 2 2 272.392 3.452 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019960794 368790975 /nfs/dbraw/zinc/79/09/75/368790975.db2.gz CPTITGJUJYPYDM-YOEHRIQHSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019960794 368790979 /nfs/dbraw/zinc/79/09/79/368790979.db2.gz CPTITGJUJYPYDM-YOEHRIQHSA-N 2 2 260.425 3.384 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000019960489 368791246 /nfs/dbraw/zinc/79/12/46/368791246.db2.gz ZTDCCQVWGYFUFB-GJZGRUSLSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000019960489 368791248 /nfs/dbraw/zinc/79/12/48/368791248.db2.gz ZTDCCQVWGYFUFB-GJZGRUSLSA-N 2 2 276.424 3.220 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020091968 368800493 /nfs/dbraw/zinc/80/04/93/368800493.db2.gz RDTUNMNWOKMLKN-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020091968 368800496 /nfs/dbraw/zinc/80/04/96/368800496.db2.gz RDTUNMNWOKMLKN-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(Cl)c1 ZINC000035104318 368997208 /nfs/dbraw/zinc/99/72/08/368997208.db2.gz KRKNXIVHPLPWFP-UHFFFAOYSA-N 2 2 284.190 3.370 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996458 369046660 /nfs/dbraw/zinc/04/66/60/369046660.db2.gz NVQLGXPKROHVPR-LSDHHAIUSA-N 2 2 298.352 3.422 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996458 369046665 /nfs/dbraw/zinc/04/66/65/369046665.db2.gz NVQLGXPKROHVPR-LSDHHAIUSA-N 2 2 298.352 3.422 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904563 369037224 /nfs/dbraw/zinc/03/72/24/369037224.db2.gz YCSHWORRARNUAP-DOTOQJQBSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904563 369037229 /nfs/dbraw/zinc/03/72/29/369037229.db2.gz YCSHWORRARNUAP-DOTOQJQBSA-N 2 2 260.425 3.285 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC000037117292 369063181 /nfs/dbraw/zinc/06/31/81/369063181.db2.gz FOYADMWFPOUOCF-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCCCC3)C2)cc1 ZINC000037117292 369063186 /nfs/dbraw/zinc/06/31/86/369063186.db2.gz FOYADMWFPOUOCF-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000037150517 369069598 /nfs/dbraw/zinc/06/95/98/369069598.db2.gz UPSAEOAZASHWHR-GFCCVEGCSA-N 2 2 281.469 3.367 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000037878839 369121971 /nfs/dbraw/zinc/12/19/71/369121971.db2.gz WJAHLOQUVVKPKA-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP COc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786378 369113475 /nfs/dbraw/zinc/11/34/75/369113475.db2.gz GICXGKGQSZQXMN-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494353467 244284204 /nfs/dbraw/zinc/28/42/04/244284204.db2.gz XHWKTYMXICZKQG-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494353467 244284205 /nfs/dbraw/zinc/28/42/05/244284205.db2.gz XHWKTYMXICZKQG-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@H+](C)[C@H]3C)cc2s1 ZINC000494845228 244323364 /nfs/dbraw/zinc/32/33/64/244323364.db2.gz GHYKAQOJHIZFJF-FZMZJTMJSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@@H+](C)[C@H]3C)cc2s1 ZINC000494845228 244323370 /nfs/dbraw/zinc/32/33/70/244323370.db2.gz GHYKAQOJHIZFJF-FZMZJTMJSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495107685 244356902 /nfs/dbraw/zinc/35/69/02/244356902.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495107685 244356908 /nfs/dbraw/zinc/35/69/08/244356908.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495107685 244356910 /nfs/dbraw/zinc/35/69/10/244356910.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495107685 244356914 /nfs/dbraw/zinc/35/69/14/244356914.db2.gz JWOUKBFDDUKPSG-YOEHRIQHSA-N 2 2 292.854 3.483 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952993 369458421 /nfs/dbraw/zinc/45/84/21/369458421.db2.gz AOYNORCWTGQUHW-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000053201410 369480406 /nfs/dbraw/zinc/48/04/06/369480406.db2.gz DVCOTXPFSFGQBO-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000053201410 369480410 /nfs/dbraw/zinc/48/04/10/369480410.db2.gz DVCOTXPFSFGQBO-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250273 369714743 /nfs/dbraw/zinc/71/47/43/369714743.db2.gz ZFYCABVUVLDPFJ-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720220 370065054 /nfs/dbraw/zinc/06/50/54/370065054.db2.gz XHQZWISSRZJHLY-GOEBONIOSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720220 370065057 /nfs/dbraw/zinc/06/50/57/370065057.db2.gz XHQZWISSRZJHLY-GOEBONIOSA-N 2 2 276.424 3.046 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc2c(s1)CCCC2 ZINC000093368317 370119590 /nfs/dbraw/zinc/11/95/90/370119590.db2.gz QDNLCQNRIVPVCL-LBPRGKRZSA-N 2 2 295.496 3.260 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604520 370145334 /nfs/dbraw/zinc/14/53/34/370145334.db2.gz JIWQILIQJYGAMJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604520 370145336 /nfs/dbraw/zinc/14/53/36/370145336.db2.gz JIWQILIQJYGAMJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000511987234 245015475 /nfs/dbraw/zinc/01/54/75/245015475.db2.gz GASPGDUBZRNEAI-GPANFISMSA-N 2 2 275.440 3.250 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000118447726 370617185 /nfs/dbraw/zinc/61/71/85/370617185.db2.gz AXBBSDKIQXVVNC-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000129810859 371002545 /nfs/dbraw/zinc/00/25/45/371002545.db2.gz XCEDUWUHESHBEY-JSGCOSHPSA-N 2 2 276.428 3.049 20 0 CGADLP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000129810859 371002549 /nfs/dbraw/zinc/00/25/49/371002549.db2.gz XCEDUWUHESHBEY-JSGCOSHPSA-N 2 2 276.428 3.049 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130387367 371030404 /nfs/dbraw/zinc/03/04/04/371030404.db2.gz DVQNZMOUDHDDFQ-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130387367 371030412 /nfs/dbraw/zinc/03/04/12/371030412.db2.gz DVQNZMOUDHDDFQ-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP c1c(CC[NH2+][C@H]2CCc3ccccc32)[nH+]c2ccccn12 ZINC000130581092 371043931 /nfs/dbraw/zinc/04/39/31/371043931.db2.gz JOKWDLPKYGBTNO-KRWDZBQOSA-N 2 2 277.371 3.154 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C1CC1 ZINC000131038258 371078500 /nfs/dbraw/zinc/07/85/00/371078500.db2.gz WRLXPBYUHAJGDJ-GJZGRUSLSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131038720 371078685 /nfs/dbraw/zinc/07/86/85/371078685.db2.gz WRLXPBYUHAJGDJ-LSDHHAIUSA-N 2 2 298.434 3.006 20 0 CGADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000131841897 371133127 /nfs/dbraw/zinc/13/31/27/371133127.db2.gz XXOYTNFEGRJSBW-OAHLLOKOSA-N 2 2 275.371 3.399 20 0 CGADLP CC(C)(C)C1CCC(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000131326467 371100462 /nfs/dbraw/zinc/10/04/62/371100462.db2.gz CVQRTMIUILUQRE-UHFFFAOYSA-N 2 2 263.429 3.325 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000134411065 371333794 /nfs/dbraw/zinc/33/37/94/371333794.db2.gz UEKIDJPDTQKMFC-GWCFXTLKSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000134411065 371333798 /nfs/dbraw/zinc/33/37/98/371333798.db2.gz UEKIDJPDTQKMFC-GWCFXTLKSA-N 2 2 287.234 3.423 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2C)C1 ZINC000136213381 371467465 /nfs/dbraw/zinc/46/74/65/371467465.db2.gz DQIZZLWIQVKFHR-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2C)C1 ZINC000136213381 371467471 /nfs/dbraw/zinc/46/74/71/371467471.db2.gz DQIZZLWIQVKFHR-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC000136213381 371467476 /nfs/dbraw/zinc/46/74/76/371467476.db2.gz DQIZZLWIQVKFHR-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000136213381 371467480 /nfs/dbraw/zinc/46/74/80/371467480.db2.gz DQIZZLWIQVKFHR-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149729393 371529437 /nfs/dbraw/zinc/52/94/37/371529437.db2.gz DFOCHMMOMBWCHS-GFCCVEGCSA-N 2 2 277.437 3.420 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000421800472 371636829 /nfs/dbraw/zinc/63/68/29/371636829.db2.gz HKWPYHRZBISIFQ-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000421838803 371661272 /nfs/dbraw/zinc/66/12/72/371661272.db2.gz VQAAZBMDPXNYDN-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000421838803 371661278 /nfs/dbraw/zinc/66/12/78/371661278.db2.gz VQAAZBMDPXNYDN-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152980253 371739869 /nfs/dbraw/zinc/73/98/69/371739869.db2.gz PLDHDZIMXJJJRP-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152980253 371739881 /nfs/dbraw/zinc/73/98/81/371739881.db2.gz PLDHDZIMXJJJRP-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152796397 371723461 /nfs/dbraw/zinc/72/34/61/371723461.db2.gz IPLFYGSDDNFZDT-HNNXBMFYSA-N 2 2 283.419 3.421 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152777588 371723653 /nfs/dbraw/zinc/72/36/53/371723653.db2.gz PMDFFAJUXMERFV-CYBMUJFWSA-N 2 2 295.496 3.272 20 0 CGADLP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000287677696 371693001 /nfs/dbraw/zinc/69/30/01/371693001.db2.gz JFAMSFDSLFOJFX-DOMZBBRYSA-N 2 2 295.390 3.061 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337348717 214023477 /nfs/dbraw/zinc/02/34/77/214023477.db2.gz ZHFQGOJAVRACRP-FUHWJXTLSA-N 2 2 289.467 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337348717 214023479 /nfs/dbraw/zinc/02/34/79/214023479.db2.gz ZHFQGOJAVRACRP-FUHWJXTLSA-N 2 2 289.467 3.429 20 0 CGADLP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422718669 371764846 /nfs/dbraw/zinc/76/48/46/371764846.db2.gz XGHCUEQXTPXOAF-IACUBPJLSA-N 2 2 286.341 3.410 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2c1C ZINC000422721178 371767460 /nfs/dbraw/zinc/76/74/60/371767460.db2.gz NKXKLKIMIXVFCX-XJKSGUPXSA-N 2 2 271.408 3.015 20 0 CGADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422721353 371768377 /nfs/dbraw/zinc/76/83/77/371768377.db2.gz VDNCQXKEZMJIRT-OCCSQVGLSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1F ZINC000422736520 371775170 /nfs/dbraw/zinc/77/51/70/371775170.db2.gz GKXLKZTZXXKUSR-SJKOYZFVSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000032130169 541858038 /nfs/dbraw/zinc/85/80/38/541858038.db2.gz NOSOHSNAGWQXJW-SFHVURJKSA-N 2 2 284.403 3.093 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000337340259 214016215 /nfs/dbraw/zinc/01/62/15/214016215.db2.gz PGRBJOJFAWXLLB-NVXWUHKLSA-N 2 2 278.440 3.001 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000337339293 214017246 /nfs/dbraw/zinc/01/72/46/214017246.db2.gz OMDYVAMUSANLQP-LSDHHAIUSA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C)cc1SC)[C@@H]1CCC[NH2+]1 ZINC000422872467 371848373 /nfs/dbraw/zinc/84/83/73/371848373.db2.gz HGEMPRISYOISAY-GJZGRUSLSA-N 2 2 278.465 3.337 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000289904183 371849898 /nfs/dbraw/zinc/84/98/98/371849898.db2.gz WVNZNDFXOQFJCA-SJLPKXTDSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000289904183 371849902 /nfs/dbraw/zinc/84/99/02/371849902.db2.gz WVNZNDFXOQFJCA-SJLPKXTDSA-N 2 2 290.451 3.338 20 0 CGADLP CSc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422880793 371851850 /nfs/dbraw/zinc/85/18/50/371851850.db2.gz ORBXKRWJKTVVOH-IUODEOHRSA-N 2 2 264.438 3.029 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000422912755 371865242 /nfs/dbraw/zinc/86/52/42/371865242.db2.gz NYILYDOARYCUJD-RWMBFGLXSA-N 2 2 281.469 3.305 20 0 CGADLP CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000422915914 371867807 /nfs/dbraw/zinc/86/78/07/371867807.db2.gz ZJJKUDJZNYZGDO-AEFFLSMTSA-N 2 2 283.419 3.245 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951424 371888262 /nfs/dbraw/zinc/88/82/62/371888262.db2.gz YMTOWCOGDMJBKC-MFKMUULPSA-N 2 2 287.234 3.124 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000290052301 371889786 /nfs/dbraw/zinc/88/97/86/371889786.db2.gz OVJAFGBVAOIMAY-UHFFFAOYSA-N 2 2 283.419 3.265 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000290052301 371889794 /nfs/dbraw/zinc/88/97/94/371889794.db2.gz OVJAFGBVAOIMAY-UHFFFAOYSA-N 2 2 283.419 3.265 20 0 CGADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422958648 371890733 /nfs/dbraw/zinc/89/07/33/371890733.db2.gz YMSSNJLDZHSAPR-BZSNNMDCSA-N 2 2 282.387 3.109 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422954274 371891666 /nfs/dbraw/zinc/89/16/66/371891666.db2.gz HTRKYNGZWKEQLH-PVAVHDDUSA-N 2 2 288.435 3.124 20 0 CGADLP CCCCOc1ncccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422969490 371897203 /nfs/dbraw/zinc/89/72/03/371897203.db2.gz CTVPFBMJLVFYFJ-CVEARBPZSA-N 2 2 291.439 3.010 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)c2ccccc21 ZINC000422981448 371902196 /nfs/dbraw/zinc/90/21/96/371902196.db2.gz SWAHKJJCBWPHNA-IXDOHACOSA-N 2 2 280.371 3.114 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142550 371914728 /nfs/dbraw/zinc/91/47/28/371914728.db2.gz CFFFHQMSDRESLF-KCXAZCMYSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142550 371914733 /nfs/dbraw/zinc/91/47/33/371914733.db2.gz CFFFHQMSDRESLF-KCXAZCMYSA-N 2 2 296.842 3.100 20 0 CGADLP CCCCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423017482 371918536 /nfs/dbraw/zinc/91/85/36/371918536.db2.gz OXZIZKUKPCCQGS-QZTJIDSGSA-N 2 2 298.434 3.226 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000423031754 371924837 /nfs/dbraw/zinc/92/48/37/371924837.db2.gz DKPNQUKIDFEFIZ-GJZGRUSLSA-N 2 2 294.826 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cncc(F)c1 ZINC000423034705 371926464 /nfs/dbraw/zinc/92/64/64/371926464.db2.gz QIOJWAYFCBZLGV-JQAFLVLXSA-N 2 2 271.339 3.016 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000290200607 371931697 /nfs/dbraw/zinc/93/16/97/371931697.db2.gz CWMAWZOHPXZAJY-QGZVFWFLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000290200607 371931707 /nfs/dbraw/zinc/93/17/07/371931707.db2.gz CWMAWZOHPXZAJY-QGZVFWFLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[C@H]1CCCCO1 ZINC000290203585 371934112 /nfs/dbraw/zinc/93/41/12/371934112.db2.gz DHCXOUNZFZWAHF-QGZVFWFLSA-N 2 2 276.424 3.262 20 0 CGADLP C[C@@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092509 371958261 /nfs/dbraw/zinc/95/82/61/371958261.db2.gz CBXGEONLSGFNBD-DIPIGXQDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156164369 371965786 /nfs/dbraw/zinc/96/57/86/371965786.db2.gz CEFWRAWRSZKACN-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156164369 371965792 /nfs/dbraw/zinc/96/57/92/371965792.db2.gz CEFWRAWRSZKACN-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(Cl)nc1 ZINC000290463717 371995404 /nfs/dbraw/zinc/99/54/04/371995404.db2.gz UISUFHGVBIOKOB-UHFFFAOYSA-N 2 2 289.810 3.203 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc2cc1C ZINC000423189647 372016502 /nfs/dbraw/zinc/01/65/02/372016502.db2.gz MZZQHVMWDMFJFY-HIFRSBDPSA-N 2 2 272.392 3.452 20 0 CGADLP Cn1cccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290581926 372022709 /nfs/dbraw/zinc/02/27/09/372022709.db2.gz UPNRDHFIHAYYMX-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP Cn1cccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290581926 372022713 /nfs/dbraw/zinc/02/27/13/372022713.db2.gz UPNRDHFIHAYYMX-UHFFFAOYSA-N 2 2 297.446 3.122 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242486 372042347 /nfs/dbraw/zinc/04/23/47/372042347.db2.gz MAUPMVUMRLYNDW-NXOUGTEYSA-N 2 2 284.378 3.349 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423353659 372053075 /nfs/dbraw/zinc/05/30/75/372053075.db2.gz BWBULOFLRMCKRF-CSMYWGQOSA-N 2 2 283.419 3.133 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423367449 372055182 /nfs/dbraw/zinc/05/51/82/372055182.db2.gz MLSMCNKSMHTPPN-RBOXIYTFSA-N 2 2 282.378 3.189 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000423179517 372009020 /nfs/dbraw/zinc/00/90/20/372009020.db2.gz MKDOXQMPLOICBG-GFCCVEGCSA-N 2 2 250.386 3.154 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423185949 372013753 /nfs/dbraw/zinc/01/37/53/372013753.db2.gz JQPSBMPYNMXQEA-HUUCEWRRSA-N 2 2 264.800 3.133 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423570739 372074243 /nfs/dbraw/zinc/07/42/43/372074243.db2.gz XAZQHXVOXQYCER-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000158815599 372086714 /nfs/dbraw/zinc/08/67/14/372086714.db2.gz MWRZINHNCMWFCL-ZDUSSCGKSA-N 2 2 280.375 3.241 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccn1 ZINC000158975940 372095105 /nfs/dbraw/zinc/09/51/05/372095105.db2.gz QORUKONNELUBNQ-AWEZNQCLSA-N 2 2 270.380 3.020 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCO[C@H](C)C3)cc2)c1C ZINC000291029912 372099061 /nfs/dbraw/zinc/09/90/61/372099061.db2.gz BINMLHLLOGOWPE-MLGOLLRUSA-N 2 2 285.391 3.469 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960239 372147869 /nfs/dbraw/zinc/14/78/69/372147869.db2.gz NYKCTNXIPQJUGP-CJNGLKHVSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960239 372147871 /nfs/dbraw/zinc/14/78/71/372147871.db2.gz NYKCTNXIPQJUGP-CJNGLKHVSA-N 2 2 292.854 3.345 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000427700234 372175548 /nfs/dbraw/zinc/17/55/48/372175548.db2.gz ZAJYMCXKIKYIGW-SUMDDJOVSA-N 2 2 286.463 3.469 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000427700234 372175554 /nfs/dbraw/zinc/17/55/54/372175554.db2.gz ZAJYMCXKIKYIGW-SUMDDJOVSA-N 2 2 286.463 3.469 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872008 372177038 /nfs/dbraw/zinc/17/70/38/372177038.db2.gz LOYPDEFIAMYOFT-HIFRSBDPSA-N 2 2 287.794 3.128 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)c2)c[nH+]1 ZINC000428452531 372205432 /nfs/dbraw/zinc/20/54/32/372205432.db2.gz LUDARZDQZGVYAS-DOMZBBRYSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@H]4CCC[C@@H]43)c2)c[nH+]1 ZINC000428452531 372205435 /nfs/dbraw/zinc/20/54/35/372205435.db2.gz LUDARZDQZGVYAS-DOMZBBRYSA-N 2 2 273.405 3.308 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C(C)C)c(C)c1 ZINC000344296692 217138123 /nfs/dbraw/zinc/13/81/23/217138123.db2.gz MHYNPEGCAOZKTK-INIZCTEOSA-N 2 2 257.381 3.239 20 0 CGADLP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000292989699 372271388 /nfs/dbraw/zinc/27/13/88/372271388.db2.gz GJHDWGGJJKSRCK-LBPRGKRZSA-N 2 2 289.810 3.276 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCCCS3)n2c1 ZINC000344338203 217157812 /nfs/dbraw/zinc/15/78/12/217157812.db2.gz WCGJWMXXXROJAO-AWEZNQCLSA-N 2 2 275.421 3.018 20 0 CGADLP Cc1ccoc1C[NH+](C)CCC[N@@H+](C)Cc1occc1C ZINC000429404913 372359851 /nfs/dbraw/zinc/35/98/51/372359851.db2.gz VVSCSXXDFOPGBK-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP Cc1ccoc1C[NH+](C)CCC[N@H+](C)Cc1occc1C ZINC000429404913 372359854 /nfs/dbraw/zinc/35/98/54/372359854.db2.gz VVSCSXXDFOPGBK-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000293531316 372404770 /nfs/dbraw/zinc/40/47/70/372404770.db2.gz JJVPEEANZRVLRJ-UHFFFAOYSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621635 372407352 /nfs/dbraw/zinc/40/73/52/372407352.db2.gz HFOASTSWMZYAFY-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621635 372407356 /nfs/dbraw/zinc/40/73/56/372407356.db2.gz HFOASTSWMZYAFY-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccco1 ZINC000162895803 372433390 /nfs/dbraw/zinc/43/33/90/372433390.db2.gz JSNLDFNRDJMEQJ-CYBMUJFWSA-N 2 2 259.353 3.218 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227710 372455176 /nfs/dbraw/zinc/45/51/76/372455176.db2.gz ZAXCOIIRYOESKS-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163227710 372455181 /nfs/dbraw/zinc/45/51/81/372455181.db2.gz ZAXCOIIRYOESKS-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163253063 372457795 /nfs/dbraw/zinc/45/77/95/372457795.db2.gz NQUPKGYQYZFPMM-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163253063 372457804 /nfs/dbraw/zinc/45/78/04/372457804.db2.gz NQUPKGYQYZFPMM-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163758513 372489768 /nfs/dbraw/zinc/48/97/68/372489768.db2.gz QVJFWKQZQLMYRL-NSHDSACASA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163758513 372489774 /nfs/dbraw/zinc/48/97/74/372489774.db2.gz QVJFWKQZQLMYRL-NSHDSACASA-N 2 2 290.304 3.015 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCC2 ZINC000166316980 372570381 /nfs/dbraw/zinc/57/03/81/372570381.db2.gz QQXFVOYERAKGRB-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCC2 ZINC000166316980 372570385 /nfs/dbraw/zinc/57/03/85/372570385.db2.gz QQXFVOYERAKGRB-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cc1C1CCC1 ZINC000294157486 372598922 /nfs/dbraw/zinc/59/89/22/372598922.db2.gz VUWJXSBUIQLTSJ-CVEARBPZSA-N 2 2 271.408 3.388 20 0 CGADLP c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cc1C1CCC1 ZINC000294157486 372598928 /nfs/dbraw/zinc/59/89/28/372598928.db2.gz VUWJXSBUIQLTSJ-CVEARBPZSA-N 2 2 271.408 3.388 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294197058 372611335 /nfs/dbraw/zinc/61/13/35/372611335.db2.gz KPJJVYRXEMBNLP-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294197058 372611343 /nfs/dbraw/zinc/61/13/43/372611343.db2.gz KPJJVYRXEMBNLP-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)c1cccc2ccccc21 ZINC000168596292 372614530 /nfs/dbraw/zinc/61/45/30/372614530.db2.gz AQSKYJYSXVOUNZ-UONOGXRCSA-N 2 2 256.393 3.441 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000168699571 372617093 /nfs/dbraw/zinc/61/70/93/372617093.db2.gz QCMKXYOXCFZZRQ-ZOODHJKOSA-N 2 2 266.816 3.126 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2c2cccn2C)c[nH+]1 ZINC000353380665 220054741 /nfs/dbraw/zinc/05/47/41/220054741.db2.gz KMUTYCBHIIBYQL-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2c2cccn2C)c[nH+]1 ZINC000353380665 220054744 /nfs/dbraw/zinc/05/47/44/220054744.db2.gz KMUTYCBHIIBYQL-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP CCC[N@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000435382361 372755691 /nfs/dbraw/zinc/75/56/91/372755691.db2.gz ZDBXDFOPVLWFLO-CQSZACIVSA-N 2 2 288.391 3.015 20 0 CGADLP CCC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000435382361 372755699 /nfs/dbraw/zinc/75/56/99/372755699.db2.gz ZDBXDFOPVLWFLO-CQSZACIVSA-N 2 2 288.391 3.015 20 0 CGADLP CC[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435387447 372756233 /nfs/dbraw/zinc/75/62/33/372756233.db2.gz AGBVFHIKWGUQAH-LBPRGKRZSA-N 2 2 286.341 3.068 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435387447 372756239 /nfs/dbraw/zinc/75/62/39/372756239.db2.gz AGBVFHIKWGUQAH-LBPRGKRZSA-N 2 2 286.341 3.068 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000353442252 220086131 /nfs/dbraw/zinc/08/61/31/220086131.db2.gz PKZSFQDDZVZGCP-CYBMUJFWSA-N 2 2 293.361 3.162 20 0 CGADLP Fc1ccc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C2CCC2)cc1 ZINC000171764224 372824129 /nfs/dbraw/zinc/82/41/29/372824129.db2.gz QZPGOGKSCZCLSO-HNNXBMFYSA-N 2 2 259.328 3.180 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743506 372801484 /nfs/dbraw/zinc/80/14/84/372801484.db2.gz AIWQZPBRFXEKRC-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C1 ZINC000435743506 372801489 /nfs/dbraw/zinc/80/14/89/372801489.db2.gz AIWQZPBRFXEKRC-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423390630 288598306 /nfs/dbraw/zinc/59/83/06/288598306.db2.gz OSPVLOOPCNLCKH-UKRRQHHQSA-N 2 2 275.440 3.073 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000438348215 372931742 /nfs/dbraw/zinc/93/17/42/372931742.db2.gz WZSBNTYDGOIFQH-MRXNPFEDSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295860000 372937715 /nfs/dbraw/zinc/93/77/15/372937715.db2.gz BLMWVRMGOJGYGV-CZUORRHYSA-N 2 2 285.391 3.090 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000344806900 217317291 /nfs/dbraw/zinc/31/72/91/217317291.db2.gz FUTPXTAWCOEEMB-LSDHHAIUSA-N 2 2 295.496 3.442 20 0 CGADLP COCC[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442869401 373111449 /nfs/dbraw/zinc/11/14/49/373111449.db2.gz PQMUVICGLFMXFX-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP COc1cccc2c(N3C[C@H](C)[N@H+](C)C[C@H]3C)cc(C)[nH+]c12 ZINC000443523882 373156043 /nfs/dbraw/zinc/15/60/43/373156043.db2.gz RPMZFDCDKZXNMO-UONOGXRCSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c(N3C[C@H](C)[N@@H+](C)C[C@H]3C)cc(C)[nH+]c12 ZINC000443523882 373156058 /nfs/dbraw/zinc/15/60/58/373156058.db2.gz RPMZFDCDKZXNMO-UONOGXRCSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561817 220158019 /nfs/dbraw/zinc/15/80/19/220158019.db2.gz ASGSWSAKZAXLLP-MLGOLLRUSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561817 220158021 /nfs/dbraw/zinc/15/80/21/220158021.db2.gz ASGSWSAKZAXLLP-MLGOLLRUSA-N 2 2 286.444 3.474 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000173875907 373206995 /nfs/dbraw/zinc/20/69/95/373206995.db2.gz IZDQIMVHSYIPIH-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000173875907 373207001 /nfs/dbraw/zinc/20/70/01/373207001.db2.gz IZDQIMVHSYIPIH-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(Cl)ccc1F ZINC000444708052 373244532 /nfs/dbraw/zinc/24/45/32/373244532.db2.gz QVLFHVFEOHHSQJ-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(Cl)ccc1F ZINC000444708052 373244537 /nfs/dbraw/zinc/24/45/37/373244537.db2.gz QVLFHVFEOHHSQJ-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc(Cl)ccc1F ZINC000444708052 373244541 /nfs/dbraw/zinc/24/45/41/373244541.db2.gz QVLFHVFEOHHSQJ-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc(Cl)ccc1F ZINC000444708052 373244548 /nfs/dbraw/zinc/24/45/48/373244548.db2.gz QVLFHVFEOHHSQJ-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc(C)cc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000298536681 373350386 /nfs/dbraw/zinc/35/03/86/373350386.db2.gz SNZDZKHXFSECLR-UHFFFAOYSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(C)cc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000298536681 373350390 /nfs/dbraw/zinc/35/03/90/373350390.db2.gz SNZDZKHXFSECLR-UHFFFAOYSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000446760000 373359325 /nfs/dbraw/zinc/35/93/25/373359325.db2.gz DRUZVTXYQCEQGH-BFYDXBDKSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000446760000 373359328 /nfs/dbraw/zinc/35/93/28/373359328.db2.gz DRUZVTXYQCEQGH-BFYDXBDKSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@@H+]1C ZINC000446762056 373359399 /nfs/dbraw/zinc/35/93/99/373359399.db2.gz NCUUWDRKNCDPME-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@H+]1C ZINC000446762056 373359405 /nfs/dbraw/zinc/35/94/05/373359405.db2.gz NCUUWDRKNCDPME-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299923352 373615418 /nfs/dbraw/zinc/61/54/18/373615418.db2.gz WESSWKHYGRKNNI-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299923352 373615426 /nfs/dbraw/zinc/61/54/26/373615426.db2.gz WESSWKHYGRKNNI-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449434016 373712049 /nfs/dbraw/zinc/71/20/49/373712049.db2.gz OWEJSVLSMRMCDW-UONOGXRCSA-N 2 2 257.381 3.250 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)C1CC1 ZINC000177182842 373661150 /nfs/dbraw/zinc/66/11/50/373661150.db2.gz UCZWOPWFIKMUCZ-LBPRGKRZSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cccc[nH+]2)C1 ZINC000301109867 373662762 /nfs/dbraw/zinc/66/27/62/373662762.db2.gz RECBNHWWVOMWMY-HUUCEWRRSA-N 2 2 261.413 3.252 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)sc1C ZINC000177301857 373674913 /nfs/dbraw/zinc/67/49/13/373674913.db2.gz RTDPSSPCNHVBNQ-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)sc1C ZINC000177301857 373674918 /nfs/dbraw/zinc/67/49/18/373674918.db2.gz RTDPSSPCNHVBNQ-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)sc1C ZINC000177301857 373674924 /nfs/dbraw/zinc/67/49/24/373674924.db2.gz RTDPSSPCNHVBNQ-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)sc1C ZINC000177301857 373674928 /nfs/dbraw/zinc/67/49/28/373674928.db2.gz RTDPSSPCNHVBNQ-CVEARBPZSA-N 2 2 278.465 3.424 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449448058 373728793 /nfs/dbraw/zinc/72/87/93/373728793.db2.gz DNKCTOZUMHPCQI-LULLPPNCSA-N 2 2 282.431 3.467 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449448058 373728797 /nfs/dbraw/zinc/72/87/97/373728797.db2.gz DNKCTOZUMHPCQI-LULLPPNCSA-N 2 2 282.431 3.467 20 0 CGADLP CC[N@@H+]1CCCN(c2[nH+]c(C)cc3ccccc32)CC1 ZINC000302062188 373818711 /nfs/dbraw/zinc/81/87/11/373818711.db2.gz RLSSUSZQVPXLOL-UHFFFAOYSA-N 2 2 269.392 3.075 20 0 CGADLP CCO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000449492416 373783411 /nfs/dbraw/zinc/78/34/11/373783411.db2.gz JCZXAZWKOKZQNC-QAPCUYQASA-N 2 2 299.418 3.119 20 0 CGADLP CCO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000449492416 373783420 /nfs/dbraw/zinc/78/34/20/373783420.db2.gz JCZXAZWKOKZQNC-QAPCUYQASA-N 2 2 299.418 3.119 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000178607002 373797313 /nfs/dbraw/zinc/79/73/13/373797313.db2.gz GRSPNNZEEZZXEY-LZQZEXGQSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000178607002 373797320 /nfs/dbraw/zinc/79/73/20/373797320.db2.gz GRSPNNZEEZZXEY-LZQZEXGQSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000178607013 373797813 /nfs/dbraw/zinc/79/78/13/373797813.db2.gz GRSPNNZEEZZXEY-IPELMVKDSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000178607013 373797819 /nfs/dbraw/zinc/79/78/19/373797819.db2.gz GRSPNNZEEZZXEY-IPELMVKDSA-N 2 2 295.430 3.243 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179575766 373890456 /nfs/dbraw/zinc/89/04/56/373890456.db2.gz GZQGRHPZSYAJMW-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179575766 373890461 /nfs/dbraw/zinc/89/04/61/373890461.db2.gz GZQGRHPZSYAJMW-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000449707709 373849353 /nfs/dbraw/zinc/84/93/53/373849353.db2.gz RYUCHSABCLSWPD-UHFFFAOYSA-N 2 2 289.423 3.049 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179838450 373925851 /nfs/dbraw/zinc/92/58/51/373925851.db2.gz VJXOWJOJWLHZIK-UHFFFAOYSA-N 2 2 291.483 3.497 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000450212330 374000095 /nfs/dbraw/zinc/00/00/95/374000095.db2.gz BUISZJYVEGINFD-LLVKDONJSA-N 2 2 261.394 3.193 20 0 CGADLP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000450212330 374000100 /nfs/dbraw/zinc/00/01/00/374000100.db2.gz BUISZJYVEGINFD-LLVKDONJSA-N 2 2 261.394 3.193 20 0 CGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000180789680 374047218 /nfs/dbraw/zinc/04/72/18/374047218.db2.gz IHCKWEGBJCYECF-UHFFFAOYSA-N 2 2 292.471 3.052 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000181164245 374089356 /nfs/dbraw/zinc/08/93/56/374089356.db2.gz PWQNCSUCPYUUNF-QDWFBIQASA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000181164245 374089362 /nfs/dbraw/zinc/08/93/62/374089362.db2.gz PWQNCSUCPYUUNF-QDWFBIQASA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000181164245 374089368 /nfs/dbraw/zinc/08/93/68/374089368.db2.gz PWQNCSUCPYUUNF-QDWFBIQASA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000181164245 374089371 /nfs/dbraw/zinc/08/93/71/374089371.db2.gz PWQNCSUCPYUUNF-QDWFBIQASA-N 2 2 270.420 3.116 20 0 CGADLP COc1cccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309729497 374194635 /nfs/dbraw/zinc/19/46/35/374194635.db2.gz ONMDJTDIINXPGJ-MRXNPFEDSA-N 2 2 298.430 3.305 20 0 CGADLP COc1cccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309729497 374194641 /nfs/dbraw/zinc/19/46/41/374194641.db2.gz ONMDJTDIINXPGJ-MRXNPFEDSA-N 2 2 298.430 3.305 20 0 CGADLP CC([NH2+]CCn1cc[nH+]c1)(c1ccccc1)c1ccccc1 ZINC000182188387 374231395 /nfs/dbraw/zinc/23/13/95/374231395.db2.gz CDXUPWASTULHTO-UHFFFAOYSA-N 2 2 291.398 3.436 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837697 374210408 /nfs/dbraw/zinc/21/04/08/374210408.db2.gz BJVKORKLHQVAPQ-HOCLYGCPSA-N 2 2 274.408 3.291 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837697 374210415 /nfs/dbraw/zinc/21/04/15/374210415.db2.gz BJVKORKLHQVAPQ-HOCLYGCPSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837697 374210422 /nfs/dbraw/zinc/21/04/22/374210422.db2.gz BJVKORKLHQVAPQ-HOCLYGCPSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837697 374210429 /nfs/dbraw/zinc/21/04/29/374210429.db2.gz BJVKORKLHQVAPQ-HOCLYGCPSA-N 2 2 274.408 3.291 20 0 CGADLP C[N@@H+](CCC(=O)c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000182358788 374263702 /nfs/dbraw/zinc/26/37/02/374263702.db2.gz PSQWJFBSVNUKAF-QGZVFWFLSA-N 2 2 288.435 3.066 20 0 CGADLP C[N@H+](CCC(=O)c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000182358788 374263712 /nfs/dbraw/zinc/26/37/12/374263712.db2.gz PSQWJFBSVNUKAF-QGZVFWFLSA-N 2 2 288.435 3.066 20 0 CGADLP C[NH+](CCC(=O)c1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000182358788 374263719 /nfs/dbraw/zinc/26/37/19/374263719.db2.gz PSQWJFBSVNUKAF-QGZVFWFLSA-N 2 2 288.435 3.066 20 0 CGADLP C[NH+](CCC(=O)c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000182358788 374263724 /nfs/dbraw/zinc/26/37/24/374263724.db2.gz PSQWJFBSVNUKAF-QGZVFWFLSA-N 2 2 288.435 3.066 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000314052094 374311161 /nfs/dbraw/zinc/31/11/61/374311161.db2.gz UGCVPCWYAWDCHI-UHFFFAOYSA-N 2 2 281.359 3.372 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000312549403 374282299 /nfs/dbraw/zinc/28/22/99/374282299.db2.gz BKRPBNDHGCMXFE-UHFFFAOYSA-N 2 2 272.845 3.364 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000080339048 541923993 /nfs/dbraw/zinc/92/39/93/541923993.db2.gz HPXIJVNDXUSODI-AEFFLSMTSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000080339048 541923998 /nfs/dbraw/zinc/92/39/98/541923998.db2.gz HPXIJVNDXUSODI-AEFFLSMTSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000183227466 374388193 /nfs/dbraw/zinc/38/81/93/374388193.db2.gz UNMPDAOGKALQOE-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334900 374428119 /nfs/dbraw/zinc/42/81/19/374428119.db2.gz XLBCTTHMQWNDME-HPEXNQPKSA-N 2 2 296.817 3.470 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334900 374428120 /nfs/dbraw/zinc/42/81/20/374428120.db2.gz XLBCTTHMQWNDME-HPEXNQPKSA-N 2 2 296.817 3.470 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000183565678 374428286 /nfs/dbraw/zinc/42/82/86/374428286.db2.gz MFKXEEYVVFWLSP-OAGGEKHMSA-N 2 2 263.429 3.325 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000091368285 541966735 /nfs/dbraw/zinc/96/67/35/541966735.db2.gz OSTZBWPVGOPVTC-GOSISDBHSA-N 2 2 290.451 3.084 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C1(C)C ZINC000185235633 374616379 /nfs/dbraw/zinc/61/63/79/374616379.db2.gz YEOJKKGDQKPOJV-GJZGRUSLSA-N 2 2 291.439 3.065 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCSCC1 ZINC000187284871 374998230 /nfs/dbraw/zinc/99/82/30/374998230.db2.gz CQDDPFUIKPLOFI-CYBMUJFWSA-N 2 2 279.453 3.005 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000187307912 375001960 /nfs/dbraw/zinc/00/19/60/375001960.db2.gz TURUVVUNCPGWQM-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000187307912 375001962 /nfs/dbraw/zinc/00/19/62/375001962.db2.gz TURUVVUNCPGWQM-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000187307912 375001963 /nfs/dbraw/zinc/00/19/63/375001963.db2.gz TURUVVUNCPGWQM-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000187307912 375001966 /nfs/dbraw/zinc/00/19/66/375001966.db2.gz TURUVVUNCPGWQM-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CCCCC3)CC2 ZINC000334735582 375017256 /nfs/dbraw/zinc/01/72/56/375017256.db2.gz PYGALYDGOBMLAS-GJZGRUSLSA-N 2 2 273.424 3.291 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341508 296224967 /nfs/dbraw/zinc/22/49/67/296224967.db2.gz KQSSRKSLQONWHU-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341508 296224968 /nfs/dbraw/zinc/22/49/68/296224968.db2.gz KQSSRKSLQONWHU-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335341508 296224971 /nfs/dbraw/zinc/22/49/71/296224971.db2.gz KQSSRKSLQONWHU-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335341508 296224973 /nfs/dbraw/zinc/22/49/73/296224973.db2.gz KQSSRKSLQONWHU-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474061545 375075979 /nfs/dbraw/zinc/07/59/79/375075979.db2.gz SMNOXQHLOSHIKW-HOCLYGCPSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000474061545 375075987 /nfs/dbraw/zinc/07/59/87/375075987.db2.gz SMNOXQHLOSHIKW-HOCLYGCPSA-N 2 2 262.441 3.316 20 0 CGADLP c1[nH+]c(SCCC[NH+]2CCCCC2)n2ccccc12 ZINC000187668703 375068032 /nfs/dbraw/zinc/06/80/32/375068032.db2.gz ILWHGALRUNUHRY-UHFFFAOYSA-N 2 2 275.421 3.302 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2C)C2CC2)C1 ZINC000482944104 375174614 /nfs/dbraw/zinc/17/46/14/375174614.db2.gz GVHCVRUABMLZSN-BMGDILEWSA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2C)C2CC2)C1 ZINC000482944104 375174618 /nfs/dbraw/zinc/17/46/18/375174618.db2.gz GVHCVRUABMLZSN-BMGDILEWSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149596 375176468 /nfs/dbraw/zinc/17/64/68/375176468.db2.gz NPAHJMAWMGACNP-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149596 375176470 /nfs/dbraw/zinc/17/64/70/375176470.db2.gz NPAHJMAWMGACNP-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1Cl ZINC000335149596 375176474 /nfs/dbraw/zinc/17/64/74/375176474.db2.gz NPAHJMAWMGACNP-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1Cl ZINC000335149596 375176477 /nfs/dbraw/zinc/17/64/77/375176477.db2.gz NPAHJMAWMGACNP-JQWIXIFHSA-N 2 2 272.845 3.174 20 0 CGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553486 375329380 /nfs/dbraw/zinc/32/93/80/375329380.db2.gz XPGGDZSUFDGIBJ-VIFPVBQESA-N 2 2 291.247 3.241 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)ccc2n1 ZINC000189377149 375378487 /nfs/dbraw/zinc/37/84/87/375378487.db2.gz BIMOEJRXWQFPMJ-PBHICJAKSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccc2n1 ZINC000189377149 375378491 /nfs/dbraw/zinc/37/84/91/375378491.db2.gz BIMOEJRXWQFPMJ-PBHICJAKSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)ccc2n1 ZINC000189377086 375379112 /nfs/dbraw/zinc/37/91/12/375379112.db2.gz BIMOEJRXWQFPMJ-WMLDXEAASA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)ccc2n1 ZINC000189377086 375379118 /nfs/dbraw/zinc/37/91/18/375379118.db2.gz BIMOEJRXWQFPMJ-WMLDXEAASA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)ccc2n1 ZINC000189377124 375379622 /nfs/dbraw/zinc/37/96/22/375379622.db2.gz BIMOEJRXWQFPMJ-RHSMWYFYSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccc2n1 ZINC000189377124 375379630 /nfs/dbraw/zinc/37/96/30/375379630.db2.gz BIMOEJRXWQFPMJ-RHSMWYFYSA-N 2 2 295.430 3.258 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000189883601 375456973 /nfs/dbraw/zinc/45/69/73/375456973.db2.gz IYEKMGSFWOPGBY-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002963 375609910 /nfs/dbraw/zinc/60/99/10/375609910.db2.gz LMGNFCDCDMIIID-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002963 375609913 /nfs/dbraw/zinc/60/99/13/375609913.db2.gz LMGNFCDCDMIIID-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000507466373 375703387 /nfs/dbraw/zinc/70/33/87/375703387.db2.gz CVMFDLJLIVRMBC-BBWFWOEESA-N 2 2 284.488 3.148 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000507510526 375709736 /nfs/dbraw/zinc/70/97/36/375709736.db2.gz NCQSOGGFAGHDOB-ZDUSSCGKSA-N 2 2 290.373 3.349 20 0 CGADLP Cc1c[nH+]ccc1NCCCc1[nH+]c2ccccc2n1C ZINC000192641322 375774809 /nfs/dbraw/zinc/77/48/09/375774809.db2.gz KWMFDWLNSTXPHD-UHFFFAOYSA-N 2 2 280.375 3.321 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993248 542054422 /nfs/dbraw/zinc/05/44/22/542054422.db2.gz MMVSAQILCBHWIB-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000128993248 542054426 /nfs/dbraw/zinc/05/44/26/542054426.db2.gz MMVSAQILCBHWIB-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP Clc1ccsc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192989418 375811452 /nfs/dbraw/zinc/81/14/52/375811452.db2.gz FWDNNQGFCCYNEZ-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@@H+](C3CCCC3)C2)n2c1CCCC2 ZINC000336588698 375855998 /nfs/dbraw/zinc/85/59/98/375855998.db2.gz QZVIATZBMRWSGA-CQSZACIVSA-N 2 2 273.424 3.341 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@H+](C3CCCC3)C2)n2c1CCCC2 ZINC000336588698 375856003 /nfs/dbraw/zinc/85/60/03/375856003.db2.gz QZVIATZBMRWSGA-CQSZACIVSA-N 2 2 273.424 3.341 20 0 CGADLP COC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193688470 375910661 /nfs/dbraw/zinc/91/06/61/375910661.db2.gz MPCMVEMFXMZLHH-INIZCTEOSA-N 2 2 296.842 3.103 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336655119 375895331 /nfs/dbraw/zinc/89/53/31/375895331.db2.gz FUORMISDQPKXEH-KCYZZUKISA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336655119 375895336 /nfs/dbraw/zinc/89/53/36/375895336.db2.gz FUORMISDQPKXEH-KCYZZUKISA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000336704874 375911695 /nfs/dbraw/zinc/91/16/95/375911695.db2.gz HMLRBIBCSXFHCL-ZBFHGGJFSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000336704874 375911698 /nfs/dbraw/zinc/91/16/98/375911698.db2.gz HMLRBIBCSXFHCL-ZBFHGGJFSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)on1 ZINC000336836297 375997819 /nfs/dbraw/zinc/99/78/19/375997819.db2.gz LCWFZWAJDSIBOI-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)on1 ZINC000336836297 375997828 /nfs/dbraw/zinc/99/78/28/375997828.db2.gz LCWFZWAJDSIBOI-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)on1 ZINC000336836297 375997838 /nfs/dbraw/zinc/99/78/38/375997838.db2.gz LCWFZWAJDSIBOI-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)on1 ZINC000336836297 375997850 /nfs/dbraw/zinc/99/78/50/375997850.db2.gz LCWFZWAJDSIBOI-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1[nH+]ccn1CCCCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000336849664 376011754 /nfs/dbraw/zinc/01/17/54/376011754.db2.gz SLRDQAWOLXRZGL-UONOGXRCSA-N 2 2 286.423 3.239 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989820 376154257 /nfs/dbraw/zinc/15/42/57/376154257.db2.gz CNOASWVSVHYHKP-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989820 376154263 /nfs/dbraw/zinc/15/42/63/376154263.db2.gz CNOASWVSVHYHKP-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514124 376175233 /nfs/dbraw/zinc/17/52/33/376175233.db2.gz VKALWECQNNVSSM-MNOVXSKESA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514124 376175240 /nfs/dbraw/zinc/17/52/40/376175240.db2.gz VKALWECQNNVSSM-MNOVXSKESA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000221982943 376226352 /nfs/dbraw/zinc/22/63/52/376226352.db2.gz IFZBNIWWPSPSOW-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)ccn1 ZINC000338001472 376253739 /nfs/dbraw/zinc/25/37/39/376253739.db2.gz XUEUIUJGLNXONI-OALUTQOASA-N 2 2 299.462 3.214 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000539384793 376306720 /nfs/dbraw/zinc/30/67/20/376306720.db2.gz VJDUTIXPZUZXCN-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000539384793 376306723 /nfs/dbraw/zinc/30/67/23/376306723.db2.gz VJDUTIXPZUZXCN-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000539384793 376306728 /nfs/dbraw/zinc/30/67/28/376306728.db2.gz VJDUTIXPZUZXCN-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000539384793 376306731 /nfs/dbraw/zinc/30/67/31/376306731.db2.gz VJDUTIXPZUZXCN-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000338349049 376342295 /nfs/dbraw/zinc/34/22/95/376342295.db2.gz PNBQCKFUFFYWBS-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000338349049 376342302 /nfs/dbraw/zinc/34/23/02/376342302.db2.gz PNBQCKFUFFYWBS-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338352671 376344696 /nfs/dbraw/zinc/34/46/96/376344696.db2.gz YCRHUNWTAXNGPA-UHFFFAOYSA-N 2 2 276.424 3.491 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338352671 376344702 /nfs/dbraw/zinc/34/47/02/376344702.db2.gz YCRHUNWTAXNGPA-UHFFFAOYSA-N 2 2 276.424 3.491 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093816 376293486 /nfs/dbraw/zinc/29/34/86/376293486.db2.gz PTVUMUFEEJEMPX-MFKMUULPSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093816 376293489 /nfs/dbraw/zinc/29/34/89/376293489.db2.gz PTVUMUFEEJEMPX-MFKMUULPSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000539217954 376298966 /nfs/dbraw/zinc/29/89/66/376298966.db2.gz ONQGTBSSSKAYJC-PBHICJAKSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000539217954 376298970 /nfs/dbraw/zinc/29/89/70/376298970.db2.gz ONQGTBSSSKAYJC-PBHICJAKSA-N 2 2 258.409 3.069 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000227667861 376405188 /nfs/dbraw/zinc/40/51/88/376405188.db2.gz ZGIOKCLGLHRWLN-WDEREUQCSA-N 2 2 298.228 3.082 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000228760060 376447536 /nfs/dbraw/zinc/44/75/36/376447536.db2.gz RGRWDRQGZITFGG-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000228760060 376447547 /nfs/dbraw/zinc/44/75/47/376447547.db2.gz RGRWDRQGZITFGG-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000542138231 376512397 /nfs/dbraw/zinc/51/23/97/376512397.db2.gz YZUFQRATELUAOA-LSDHHAIUSA-N 2 2 292.492 3.271 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000542138231 376512402 /nfs/dbraw/zinc/51/24/02/376512402.db2.gz YZUFQRATELUAOA-LSDHHAIUSA-N 2 2 292.492 3.271 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338693804 376483717 /nfs/dbraw/zinc/48/37/17/376483717.db2.gz LWWFNNFCJSHROF-BHYGNILZSA-N 2 2 269.392 3.055 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000542468318 376544377 /nfs/dbraw/zinc/54/43/77/376544377.db2.gz UFMIWVDEMQULDO-SFHVURJKSA-N 2 2 298.430 3.385 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000542468318 376544385 /nfs/dbraw/zinc/54/43/85/376544385.db2.gz UFMIWVDEMQULDO-SFHVURJKSA-N 2 2 298.430 3.385 20 0 CGADLP Cc1ccsc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334335586 206388180 /nfs/dbraw/zinc/38/81/80/206388180.db2.gz QUXBRNDNVVGSCT-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000234037768 376610360 /nfs/dbraw/zinc/61/03/60/376610360.db2.gz IWYDLYVRIVEOMX-KBPBESRZSA-N 2 2 252.789 3.133 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)nc2C)CC1 ZINC000339011053 376628761 /nfs/dbraw/zinc/62/87/61/376628761.db2.gz PNBAAFJTUHHCAI-UHFFFAOYSA-N 2 2 289.467 3.430 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)nc2C)CC1 ZINC000339011053 376628767 /nfs/dbraw/zinc/62/87/67/376628767.db2.gz PNBAAFJTUHHCAI-UHFFFAOYSA-N 2 2 289.467 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000235439195 376641198 /nfs/dbraw/zinc/64/11/98/376641198.db2.gz QWRXZEAKCRJYDP-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000235439195 376641200 /nfs/dbraw/zinc/64/12/00/376641200.db2.gz QWRXZEAKCRJYDP-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000339057747 376653351 /nfs/dbraw/zinc/65/33/51/376653351.db2.gz WSBACNONFLSYKI-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000339057747 376653363 /nfs/dbraw/zinc/65/33/63/376653363.db2.gz WSBACNONFLSYKI-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000236888394 376707651 /nfs/dbraw/zinc/70/76/51/376707651.db2.gz KQBZPGUZHBDCHM-MRXNPFEDSA-N 2 2 264.413 3.076 20 0 CGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236911816 376712439 /nfs/dbraw/zinc/71/24/39/376712439.db2.gz TZVMTDXJNDNWPV-BLLLJJGKSA-N 2 2 299.374 3.186 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000135754603 542089531 /nfs/dbraw/zinc/08/95/31/542089531.db2.gz HVCDHFCYDVBNDF-HOTGVXAUSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(F)cccc1Cl ZINC000264605869 190122181 /nfs/dbraw/zinc/12/21/81/190122181.db2.gz HCOQSXMWZCOBER-LBPRGKRZSA-N 2 2 295.789 3.287 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000157644765 542135540 /nfs/dbraw/zinc/13/55/40/542135540.db2.gz KFQXUCPGYDPOKO-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000157644765 542135545 /nfs/dbraw/zinc/13/55/45/542135545.db2.gz KFQXUCPGYDPOKO-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000157644913 542135734 /nfs/dbraw/zinc/13/57/34/542135734.db2.gz KFQXUCPGYDPOKO-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000157644913 542135739 /nfs/dbraw/zinc/13/57/39/542135739.db2.gz KFQXUCPGYDPOKO-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157668756 542137980 /nfs/dbraw/zinc/13/79/80/542137980.db2.gz NXNLAMPRAGCVNL-HOCLYGCPSA-N 2 2 250.430 3.195 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157668756 542137983 /nfs/dbraw/zinc/13/79/83/542137983.db2.gz NXNLAMPRAGCVNL-HOCLYGCPSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000245565285 376856408 /nfs/dbraw/zinc/85/64/08/376856408.db2.gz ROZWEWBEKXEYIA-SJORKVTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000245565285 376856414 /nfs/dbraw/zinc/85/64/14/376856414.db2.gz ROZWEWBEKXEYIA-SJORKVTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000245565285 376856422 /nfs/dbraw/zinc/85/64/22/376856422.db2.gz ROZWEWBEKXEYIA-SJORKVTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000245565285 376856428 /nfs/dbraw/zinc/85/64/28/376856428.db2.gz ROZWEWBEKXEYIA-SJORKVTESA-N 2 2 289.467 3.112 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c(C)s1 ZINC000556952187 376910148 /nfs/dbraw/zinc/91/01/48/376910148.db2.gz HXXRGJJPHROTIV-QGZVFWFLSA-N 2 2 286.444 3.342 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000245913033 376932173 /nfs/dbraw/zinc/93/21/73/376932173.db2.gz VVPRDRVDTNKPKN-BPUTZDHNSA-N 2 2 261.413 3.101 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000557796511 376956185 /nfs/dbraw/zinc/95/61/85/376956185.db2.gz PZPIYCUISCJTRQ-XJKSGUPXSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000557796511 376956197 /nfs/dbraw/zinc/95/61/97/376956197.db2.gz PZPIYCUISCJTRQ-XJKSGUPXSA-N 2 2 272.392 3.171 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000558228166 376986190 /nfs/dbraw/zinc/98/61/90/376986190.db2.gz PMJXLYXHMLRDFC-PVAVHDDUSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000558401407 377001326 /nfs/dbraw/zinc/00/13/26/377001326.db2.gz LYJPZXRBLMUFIL-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000558401407 377001330 /nfs/dbraw/zinc/00/13/30/377001330.db2.gz LYJPZXRBLMUFIL-KRWDZBQOSA-N 2 2 298.430 3.206 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000558921329 377054497 /nfs/dbraw/zinc/05/44/97/377054497.db2.gz YSEOYRUJDBCRFP-JZXOWHBKSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000558921329 377054500 /nfs/dbraw/zinc/05/45/00/377054500.db2.gz YSEOYRUJDBCRFP-JZXOWHBKSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246711340 377075309 /nfs/dbraw/zinc/07/53/09/377075309.db2.gz COHPAJGFESAWSB-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246711340 377075316 /nfs/dbraw/zinc/07/53/16/377075316.db2.gz COHPAJGFESAWSB-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246711340 377075321 /nfs/dbraw/zinc/07/53/21/377075321.db2.gz COHPAJGFESAWSB-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246711340 377075329 /nfs/dbraw/zinc/07/53/29/377075329.db2.gz COHPAJGFESAWSB-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[N@@H+]1C ZINC000247036857 377145072 /nfs/dbraw/zinc/14/50/72/377145072.db2.gz MNSSOGDGHRWTCO-AYOQOUSVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC[N@H+]1C ZINC000247036857 377145077 /nfs/dbraw/zinc/14/50/77/377145077.db2.gz MNSSOGDGHRWTCO-AYOQOUSVSA-N 2 2 295.430 3.243 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248168106 377274907 /nfs/dbraw/zinc/27/49/07/377274907.db2.gz UEQVBIODYATMGX-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248168106 377274910 /nfs/dbraw/zinc/27/49/10/377274910.db2.gz UEQVBIODYATMGX-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000248168106 377274913 /nfs/dbraw/zinc/27/49/13/377274913.db2.gz UEQVBIODYATMGX-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248168106 377274919 /nfs/dbraw/zinc/27/49/19/377274919.db2.gz UEQVBIODYATMGX-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CC1(C)CC1)C1CC1 ZINC000562328863 377297068 /nfs/dbraw/zinc/29/70/68/377297068.db2.gz KUCQQLPUJZXWOC-KRWDZBQOSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CC1(C)CC1)C1CC1 ZINC000562328863 377297072 /nfs/dbraw/zinc/29/70/72/377297072.db2.gz KUCQQLPUJZXWOC-KRWDZBQOSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248622439 377369731 /nfs/dbraw/zinc/36/97/31/377369731.db2.gz AYVGFOFFYCFUJI-TXCZRRACSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313248606 249090367 /nfs/dbraw/zinc/09/03/67/249090367.db2.gz BZCBZQUQDCEXCK-LSDHHAIUSA-N 2 2 263.429 3.157 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000249969753 377545045 /nfs/dbraw/zinc/54/50/45/377545045.db2.gz XMSMYBOBFLSGCW-HOTGVXAUSA-N 2 2 260.425 3.458 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1c1ccccc1 ZINC000249969753 377545050 /nfs/dbraw/zinc/54/50/50/377545050.db2.gz XMSMYBOBFLSGCW-HOTGVXAUSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000313819478 249093201 /nfs/dbraw/zinc/09/32/01/249093201.db2.gz KFXJRWMCIJOJBM-SZMVWBNQSA-N 2 2 283.419 3.445 20 0 CGADLP CC[NH+](CC)CCCNc1cc[nH+]c2c(OC)cccc12 ZINC000428132900 249132187 /nfs/dbraw/zinc/13/21/87/249132187.db2.gz WLMQKDIETZNWSS-UHFFFAOYSA-N 2 2 287.407 3.387 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)c1 ZINC000178311727 542195875 /nfs/dbraw/zinc/19/58/75/542195875.db2.gz HWBDRGJGJDKEIP-SFHVURJKSA-N 2 2 272.436 3.002 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccno2)CC[N@@H+]1Cc1ccccc1 ZINC000265648161 190196703 /nfs/dbraw/zinc/19/67/03/190196703.db2.gz MQNHKWYSWJJCEV-WBVHZDCISA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccno2)CC[N@H+]1Cc1ccccc1 ZINC000265648161 190196704 /nfs/dbraw/zinc/19/67/04/190196704.db2.gz MQNHKWYSWJJCEV-WBVHZDCISA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648161 190196705 /nfs/dbraw/zinc/19/67/05/190196705.db2.gz MQNHKWYSWJJCEV-WBVHZDCISA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648161 190196706 /nfs/dbraw/zinc/19/67/06/190196706.db2.gz MQNHKWYSWJJCEV-WBVHZDCISA-N 2 2 299.418 3.160 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000518979724 249289417 /nfs/dbraw/zinc/28/94/17/249289417.db2.gz RGGGMDTZOBEFLX-ROUUACIJSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000518979724 249289419 /nfs/dbraw/zinc/28/94/19/249289419.db2.gz RGGGMDTZOBEFLX-ROUUACIJSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180547293 542211460 /nfs/dbraw/zinc/21/14/60/542211460.db2.gz PGOXOSMWGGZPEI-PBHICJAKSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000180547293 542211465 /nfs/dbraw/zinc/21/14/65/542211465.db2.gz PGOXOSMWGGZPEI-PBHICJAKSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000342576282 377669509 /nfs/dbraw/zinc/66/95/09/377669509.db2.gz LGRWWDNMWQGFHP-ROUUACIJSA-N 2 2 295.430 3.117 20 0 CGADLP COc1ccccc1/C=C\C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000255037497 377724964 /nfs/dbraw/zinc/72/49/64/377724964.db2.gz LOUCREMXYSLHEE-VURMDHGXSA-N 2 2 288.435 3.171 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000342674319 377727386 /nfs/dbraw/zinc/72/73/86/377727386.db2.gz TXGSCBAVNZQWMG-ZZCKCESHSA-N 2 2 299.418 3.062 20 0 CGADLP CCOc1ccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000342686929 377735247 /nfs/dbraw/zinc/73/52/47/377735247.db2.gz DNDSXZRXOFXUAW-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP CCOc1ccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000342686929 377735251 /nfs/dbraw/zinc/73/52/51/377735251.db2.gz DNDSXZRXOFXUAW-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(Cl)c1 ZINC000342720033 377754194 /nfs/dbraw/zinc/75/41/94/377754194.db2.gz FSQDGSIUNIZRHM-HUBLWGQQSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(Cl)c1 ZINC000342720033 377754199 /nfs/dbraw/zinc/75/41/99/377754199.db2.gz FSQDGSIUNIZRHM-HUBLWGQQSA-N 2 2 266.816 3.473 20 0 CGADLP CCC1CC([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000342730641 377760276 /nfs/dbraw/zinc/76/02/76/377760276.db2.gz KACDBBKAPWBCGR-UHFFFAOYSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261559306 377817576 /nfs/dbraw/zinc/81/75/76/377817576.db2.gz TVNCDYRRAWQDCM-SMDDNHRTSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261559306 377817581 /nfs/dbraw/zinc/81/75/81/377817581.db2.gz TVNCDYRRAWQDCM-SMDDNHRTSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579268 377821094 /nfs/dbraw/zinc/82/10/94/377821094.db2.gz PKBWPSQNAHDHDG-UXIGCNINSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579268 377821100 /nfs/dbraw/zinc/82/11/00/377821100.db2.gz PKBWPSQNAHDHDG-UXIGCNINSA-N 2 2 264.800 3.085 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000342844840 377832152 /nfs/dbraw/zinc/83/21/52/377832152.db2.gz UUQHFQRANJHVCT-UHFFFAOYSA-N 2 2 294.402 3.031 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000261953019 377871564 /nfs/dbraw/zinc/87/15/64/377871564.db2.gz GGNJEPQWXIQJND-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000261953019 377871568 /nfs/dbraw/zinc/87/15/68/377871568.db2.gz GGNJEPQWXIQJND-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000261952325 377872072 /nfs/dbraw/zinc/87/20/72/377872072.db2.gz NIBPAEVBJLBBBQ-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000261952325 377872079 /nfs/dbraw/zinc/87/20/79/377872079.db2.gz NIBPAEVBJLBBBQ-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039195 377882983 /nfs/dbraw/zinc/88/29/83/377882983.db2.gz YAHINKXFMUBXOG-JKSUJKDBSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039195 377882987 /nfs/dbraw/zinc/88/29/87/377882987.db2.gz YAHINKXFMUBXOG-JKSUJKDBSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039193 377883139 /nfs/dbraw/zinc/88/31/39/377883139.db2.gz YAHINKXFMUBXOG-HOTGVXAUSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039193 377883140 /nfs/dbraw/zinc/88/31/40/377883140.db2.gz YAHINKXFMUBXOG-HOTGVXAUSA-N 2 2 260.425 3.300 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@H]1[NH3+] ZINC000262142818 377888706 /nfs/dbraw/zinc/88/87/06/377888706.db2.gz ZFOHARMXZRQSQN-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@H]1[NH3+] ZINC000262142818 377888711 /nfs/dbraw/zinc/88/87/11/377888711.db2.gz ZFOHARMXZRQSQN-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785978 377853357 /nfs/dbraw/zinc/85/33/57/377853357.db2.gz FVRORRHSBAKAOR-UWVGGRQHSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785978 377853363 /nfs/dbraw/zinc/85/33/63/377853363.db2.gz FVRORRHSBAKAOR-UWVGGRQHSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261783883 377854217 /nfs/dbraw/zinc/85/42/17/377854217.db2.gz FOZXSRRSTYVRMT-WQVCFCJDSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261783883 377854219 /nfs/dbraw/zinc/85/42/19/377854219.db2.gz FOZXSRRSTYVRMT-WQVCFCJDSA-N 2 2 278.827 3.270 20 0 CGADLP CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261806816 377855167 /nfs/dbraw/zinc/85/51/67/377855167.db2.gz WJMLSXWWSOTYFG-RBUKOAKNSA-N 2 2 296.414 3.012 20 0 CGADLP CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261806816 377855173 /nfs/dbraw/zinc/85/51/73/377855173.db2.gz WJMLSXWWSOTYFG-RBUKOAKNSA-N 2 2 296.414 3.012 20 0 CGADLP CC(C)c1nc(N2CC(n3cc[nH+]c3)C2)cc(C(C)(C)C)[nH+]1 ZINC000575859927 377995496 /nfs/dbraw/zinc/99/54/96/377995496.db2.gz NMNMQQWDWHMQSN-UHFFFAOYSA-N 2 2 299.422 3.155 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946269 378028723 /nfs/dbraw/zinc/02/87/23/378028723.db2.gz SIPUHFFCBVLSKG-GXTWGEPZSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946269 378028727 /nfs/dbraw/zinc/02/87/27/378028727.db2.gz SIPUHFFCBVLSKG-GXTWGEPZSA-N 2 2 273.355 3.489 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603102 378084705 /nfs/dbraw/zinc/08/47/05/378084705.db2.gz JLHARPKGMVDUDV-GWCFXTLKSA-N 2 2 298.352 3.023 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603102 378084709 /nfs/dbraw/zinc/08/47/09/378084709.db2.gz JLHARPKGMVDUDV-GWCFXTLKSA-N 2 2 298.352 3.023 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603106 378084814 /nfs/dbraw/zinc/08/48/14/378084814.db2.gz JLHARPKGMVDUDV-MFKMUULPSA-N 2 2 298.352 3.023 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603106 378084818 /nfs/dbraw/zinc/08/48/18/378084818.db2.gz JLHARPKGMVDUDV-MFKMUULPSA-N 2 2 298.352 3.023 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(C(C)C)nc2C)CC1 ZINC000343571152 378023623 /nfs/dbraw/zinc/02/36/23/378023623.db2.gz LDRRIMWMDVZCKS-UHFFFAOYSA-N 2 2 292.471 3.079 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C(C)C)nc2C)CC1 ZINC000343571152 378023628 /nfs/dbraw/zinc/02/36/28/378023628.db2.gz LDRRIMWMDVZCKS-UHFFFAOYSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3[nH]ccc3c1)CCC2 ZINC000579130499 378132584 /nfs/dbraw/zinc/13/25/84/378132584.db2.gz SKPLIOMXHUWLDA-MRXNPFEDSA-N 2 2 294.402 3.340 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000268718893 378096092 /nfs/dbraw/zinc/09/60/92/378096092.db2.gz HMWGGSIQJIKJBN-SJLPKXTDSA-N 2 2 292.467 3.474 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000268787676 378110531 /nfs/dbraw/zinc/11/05/31/378110531.db2.gz WHRKMPMNQMGWQM-QGZVFWFLSA-N 2 2 269.392 3.210 20 0 CGADLP COc1cccc(C[C@@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000579809236 378197776 /nfs/dbraw/zinc/19/77/76/378197776.db2.gz JVAWFDXCLJHIKA-INIZCTEOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1cccc(C[C@@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000579809236 378197783 /nfs/dbraw/zinc/19/77/83/378197783.db2.gz JVAWFDXCLJHIKA-INIZCTEOSA-N 2 2 290.451 3.090 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC000344034817 378155987 /nfs/dbraw/zinc/15/59/87/378155987.db2.gz OWRAAJCXLFOOGD-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000580415151 378248896 /nfs/dbraw/zinc/24/88/96/378248896.db2.gz DVMTXCGJIIMPRD-KKUMJFAQSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000580415151 378248898 /nfs/dbraw/zinc/24/88/98/378248898.db2.gz DVMTXCGJIIMPRD-KKUMJFAQSA-N 2 2 252.446 3.131 20 0 CGADLP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345702548 378349553 /nfs/dbraw/zinc/34/95/53/378349553.db2.gz ZXQKSPQPCJNCMZ-OAHLLOKOSA-N 2 2 291.354 3.288 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000270868008 378407302 /nfs/dbraw/zinc/40/73/02/378407302.db2.gz TXXLJSTWCWMOMB-AWEZNQCLSA-N 2 2 261.394 3.090 20 0 CGADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000270858808 378407312 /nfs/dbraw/zinc/40/73/12/378407312.db2.gz JOVDDSPDKFRQRS-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000270858808 378407313 /nfs/dbraw/zinc/40/73/13/378407313.db2.gz JOVDDSPDKFRQRS-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000346090336 378460966 /nfs/dbraw/zinc/46/09/66/378460966.db2.gz DSNSYSHMLFKCLR-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000346090336 378460970 /nfs/dbraw/zinc/46/09/70/378460970.db2.gz DSNSYSHMLFKCLR-LSDHHAIUSA-N 2 2 258.409 3.191 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000271207587 378483429 /nfs/dbraw/zinc/48/34/29/378483429.db2.gz WSBCSFYIOLOOHV-GFCCVEGCSA-N 2 2 292.810 3.470 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000271207587 378483432 /nfs/dbraw/zinc/48/34/32/378483432.db2.gz WSBCSFYIOLOOHV-GFCCVEGCSA-N 2 2 292.810 3.470 20 0 CGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346200173 378501765 /nfs/dbraw/zinc/50/17/65/378501765.db2.gz LKSNMKXYDXNCBN-UHFFFAOYSA-N 2 2 293.461 3.261 20 0 CGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346200173 378501773 /nfs/dbraw/zinc/50/17/73/378501773.db2.gz LKSNMKXYDXNCBN-UHFFFAOYSA-N 2 2 293.461 3.261 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccn(C)c1 ZINC000346223179 378511165 /nfs/dbraw/zinc/51/11/65/378511165.db2.gz QBUFSBFHUIMWNL-LJQANCHMSA-N 2 2 299.462 3.271 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccn(C)c1 ZINC000346223179 378511169 /nfs/dbraw/zinc/51/11/69/378511169.db2.gz QBUFSBFHUIMWNL-LJQANCHMSA-N 2 2 299.462 3.271 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@@H+]1C ZINC000346329467 378547195 /nfs/dbraw/zinc/54/71/95/378547195.db2.gz MZDRSDIFJXKXKS-QROZZAMVSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@H+]1C ZINC000346329467 378547198 /nfs/dbraw/zinc/54/71/98/378547198.db2.gz MZDRSDIFJXKXKS-QROZZAMVSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641394 378657327 /nfs/dbraw/zinc/65/73/27/378657327.db2.gz LYSQYYAFPRGFEZ-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641394 378657333 /nfs/dbraw/zinc/65/73/33/378657333.db2.gz LYSQYYAFPRGFEZ-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346652247 378662575 /nfs/dbraw/zinc/66/25/75/378662575.db2.gz QFHKNSFPJMYGTQ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346652247 378662579 /nfs/dbraw/zinc/66/25/79/378662579.db2.gz QFHKNSFPJMYGTQ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346660634 378666319 /nfs/dbraw/zinc/66/63/19/378666319.db2.gz VSPMRNPPMALSCF-ZDUSSCGKSA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346660634 378666324 /nfs/dbraw/zinc/66/63/24/378666324.db2.gz VSPMRNPPMALSCF-ZDUSSCGKSA-N 2 2 276.380 3.087 20 0 CGADLP c1cn(-c2ccc(CNc3ccc4[nH]c[nH+]c4c3)cc2)c[nH+]1 ZINC000346679063 378673680 /nfs/dbraw/zinc/67/36/80/378673680.db2.gz HZAJZBQXXJACIY-UHFFFAOYSA-N 2 2 289.342 3.361 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)OC ZINC000638287543 378756189 /nfs/dbraw/zinc/75/61/89/378756189.db2.gz VAEPNNULNFBCMH-LSDHHAIUSA-N 2 2 296.480 3.290 20 0 CGADLP CC[C@@](C)(C[NH2+]CCCn1c(C)[nH+]c2ccccc21)OC ZINC000638299348 378761302 /nfs/dbraw/zinc/76/13/02/378761302.db2.gz YADFCMSQWCGDTD-KRWDZBQOSA-N 2 2 289.423 3.140 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638298474 378761603 /nfs/dbraw/zinc/76/16/03/378761603.db2.gz RPYNYQKEQCAWJH-GXTWGEPZSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000266182598 190238287 /nfs/dbraw/zinc/23/82/87/190238287.db2.gz GOXMKTYYHVSCIU-WMLDXEAASA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)C1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000638345031 378773573 /nfs/dbraw/zinc/77/35/73/378773573.db2.gz AJMYFBVHNBNMGD-UHFFFAOYSA-N 2 2 283.419 3.457 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000274419031 378829621 /nfs/dbraw/zinc/82/96/21/378829621.db2.gz NZDWEBHURGVNBU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000274419031 378829629 /nfs/dbraw/zinc/82/96/29/378829629.db2.gz NZDWEBHURGVNBU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000346807822 218020572 /nfs/dbraw/zinc/02/05/72/218020572.db2.gz MNIFUNYLRYIUEL-ZOWXZIJZSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000346807822 218020574 /nfs/dbraw/zinc/02/05/74/218020574.db2.gz MNIFUNYLRYIUEL-ZOWXZIJZSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc2c(c1)CCC2 ZINC000346812053 218023396 /nfs/dbraw/zinc/02/33/96/218023396.db2.gz WANGVXVNZUAPLO-DEYYWGMASA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc2c(c1)CCC2 ZINC000346812053 218023398 /nfs/dbraw/zinc/02/33/98/218023398.db2.gz WANGVXVNZUAPLO-DEYYWGMASA-N 2 2 272.436 3.309 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](CO)CC1CCCC1 ZINC000348288615 378887909 /nfs/dbraw/zinc/88/79/09/378887909.db2.gz FJNIKZJFLATZAU-QGZVFWFLSA-N 2 2 290.451 3.101 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000348322853 378906703 /nfs/dbraw/zinc/90/67/03/378906703.db2.gz QTARSGSWYDOPFR-JYJNAYRXSA-N 2 2 290.455 3.028 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)s1 ZINC000348358145 378926660 /nfs/dbraw/zinc/92/66/60/378926660.db2.gz JLWSXZYUTODEMV-ZDUSSCGKSA-N 2 2 295.496 3.463 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)s1 ZINC000348358145 378926667 /nfs/dbraw/zinc/92/66/67/378926667.db2.gz JLWSXZYUTODEMV-ZDUSSCGKSA-N 2 2 295.496 3.463 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000348323879 378909042 /nfs/dbraw/zinc/90/90/42/378909042.db2.gz PTDGJNFZLCZWBI-QWHCGFSZSA-N 2 2 281.469 3.231 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cs1 ZINC000348323879 378909046 /nfs/dbraw/zinc/90/90/46/378909046.db2.gz PTDGJNFZLCZWBI-QWHCGFSZSA-N 2 2 281.469 3.231 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000348330594 378912494 /nfs/dbraw/zinc/91/24/94/378912494.db2.gz SVKARSCONLTBFD-CYBMUJFWSA-N 2 2 290.329 3.188 20 0 CGADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405159 378943222 /nfs/dbraw/zinc/94/32/22/378943222.db2.gz GCXDKEBKIACCQL-AGIUHOORSA-N 2 2 281.469 3.071 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CC[C@@H](C)C1 ZINC000348414114 378946848 /nfs/dbraw/zinc/94/68/48/378946848.db2.gz UWNMQILEXVOGRZ-QAPCUYQASA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CC[C@@H](C)C1 ZINC000348414114 378946856 /nfs/dbraw/zinc/94/68/56/378946856.db2.gz UWNMQILEXVOGRZ-QAPCUYQASA-N 2 2 290.451 3.460 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000347103055 218122373 /nfs/dbraw/zinc/12/23/73/218122373.db2.gz LQCDXNVVJMXHSG-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347106692 218122738 /nfs/dbraw/zinc/12/27/38/218122738.db2.gz NKNLLVRMQKNWTN-LLVKDONJSA-N 2 2 278.783 3.128 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347106692 218122739 /nfs/dbraw/zinc/12/27/39/218122739.db2.gz NKNLLVRMQKNWTN-LLVKDONJSA-N 2 2 278.783 3.128 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347115135 218126230 /nfs/dbraw/zinc/12/62/30/218126230.db2.gz SUJRMRIWOKHNJU-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347115135 218126232 /nfs/dbraw/zinc/12/62/32/218126232.db2.gz SUJRMRIWOKHNJU-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP Clc1ccsc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370259992 378999745 /nfs/dbraw/zinc/99/97/45/378999745.db2.gz FLXKNTFFLZSIIZ-UHFFFAOYSA-N 2 2 281.812 3.224 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000639070911 379001630 /nfs/dbraw/zinc/00/16/30/379001630.db2.gz FEECUVLENYAIQM-HIFRSBDPSA-N 2 2 261.413 3.004 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000370423824 379018796 /nfs/dbraw/zinc/01/87/96/379018796.db2.gz WAFOJTIYBGBBEZ-NVXWUHKLSA-N 2 2 296.418 3.349 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1sccc1Cl ZINC000278672202 194096617 /nfs/dbraw/zinc/09/66/17/194096617.db2.gz RBDYAWHTFRADEE-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1sccc1Cl ZINC000278672202 194096618 /nfs/dbraw/zinc/09/66/18/194096618.db2.gz RBDYAWHTFRADEE-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000370670303 379048574 /nfs/dbraw/zinc/04/85/74/379048574.db2.gz ZMUPWEGRMLOCEY-LBPRGKRZSA-N 2 2 275.421 3.174 20 0 CGADLP COC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000347394354 218219043 /nfs/dbraw/zinc/21/90/43/218219043.db2.gz YILXWFHXBIJTNH-HTWSVDAQSA-N 2 2 299.418 3.008 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135294 379166590 /nfs/dbraw/zinc/16/65/90/379166590.db2.gz YHADLFRIFCLNRZ-WMZOPIPTSA-N 2 2 297.446 3.478 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135294 379166603 /nfs/dbraw/zinc/16/66/03/379166603.db2.gz YHADLFRIFCLNRZ-WMZOPIPTSA-N 2 2 297.446 3.478 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000349152668 379171892 /nfs/dbraw/zinc/17/18/92/379171892.db2.gz QOBLECRBBVMRGP-HNNXBMFYSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000349152668 379171900 /nfs/dbraw/zinc/17/19/00/379171900.db2.gz QOBLECRBBVMRGP-HNNXBMFYSA-N 2 2 275.440 3.426 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c[nH]nc1C(C)(C)C ZINC000349407300 379271430 /nfs/dbraw/zinc/27/14/30/379271430.db2.gz NHWZRRZLFYNYHK-UHFFFAOYSA-N 2 2 294.487 3.261 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c[nH]nc1C(C)(C)C ZINC000349407300 379271437 /nfs/dbraw/zinc/27/14/37/379271437.db2.gz NHWZRRZLFYNYHK-UHFFFAOYSA-N 2 2 294.487 3.261 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349415261 379272713 /nfs/dbraw/zinc/27/27/13/379272713.db2.gz IOVSCULRORXBLS-QGZVFWFLSA-N 2 2 285.435 3.474 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349415261 379272722 /nfs/dbraw/zinc/27/27/22/379272722.db2.gz IOVSCULRORXBLS-QGZVFWFLSA-N 2 2 285.435 3.474 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000639376319 379333139 /nfs/dbraw/zinc/33/31/39/379333139.db2.gz CRUMFNQIUPFLLL-UHFFFAOYSA-N 2 2 288.435 3.233 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583042 218280479 /nfs/dbraw/zinc/28/04/79/218280479.db2.gz IZDLDHQACSLNDH-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583042 218280481 /nfs/dbraw/zinc/28/04/81/218280481.db2.gz IZDLDHQACSLNDH-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000639378834 379336833 /nfs/dbraw/zinc/33/68/33/379336833.db2.gz SNWBWTBXTPIZLO-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000373533055 379294393 /nfs/dbraw/zinc/29/43/93/379294393.db2.gz VYMQGQJZAQPRMX-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000373533055 379294409 /nfs/dbraw/zinc/29/44/09/379294409.db2.gz VYMQGQJZAQPRMX-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000349789446 379385900 /nfs/dbraw/zinc/38/59/00/379385900.db2.gz CGOGKLKSBXMSEH-UHFFFAOYSA-N 2 2 276.424 3.292 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(O)c1)CCC2 ZINC000374205417 379392057 /nfs/dbraw/zinc/39/20/57/379392057.db2.gz PIKICYRTMOFAKS-UKRRQHHQSA-N 2 2 285.391 3.125 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000639389706 379354703 /nfs/dbraw/zinc/35/47/03/379354703.db2.gz NETDTXWHCQNWEE-ZWKOTPCHSA-N 2 2 288.435 3.260 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639397702 379363237 /nfs/dbraw/zinc/36/32/37/379363237.db2.gz NRJPMPXYZDSMKO-OAHLLOKOSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639397702 379363250 /nfs/dbraw/zinc/36/32/50/379363250.db2.gz NRJPMPXYZDSMKO-OAHLLOKOSA-N 2 2 280.362 3.150 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccon1 ZINC000349827152 379404115 /nfs/dbraw/zinc/40/41/15/379404115.db2.gz BEHXFQFYFQNCNG-HNNXBMFYSA-N 2 2 299.418 3.032 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000376396653 379547980 /nfs/dbraw/zinc/54/79/80/379547980.db2.gz ILBAAMPPVQPGNO-AWEZNQCLSA-N 2 2 279.453 3.156 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000376396653 379547987 /nfs/dbraw/zinc/54/79/87/379547987.db2.gz ILBAAMPPVQPGNO-AWEZNQCLSA-N 2 2 279.453 3.156 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCOC[C@H]2C2CCC2)c(C)[nH+]1 ZINC000639693495 379550629 /nfs/dbraw/zinc/55/06/29/379550629.db2.gz MIAGJGVPPNLAMM-KRWDZBQOSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCOC[C@H]2C2CCC2)c(C)[nH+]1 ZINC000639693495 379550639 /nfs/dbraw/zinc/55/06/39/379550639.db2.gz MIAGJGVPPNLAMM-KRWDZBQOSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCSC(C)C)CC1 ZINC000289443568 197351142 /nfs/dbraw/zinc/35/11/42/197351142.db2.gz UCHXBHJUXMEDLW-UHFFFAOYSA-N 2 2 294.464 3.375 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000376729073 379596585 /nfs/dbraw/zinc/59/65/85/379596585.db2.gz NMYQTGNYYLFYQZ-SWLSCSKDSA-N 2 2 285.391 3.226 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000280204205 379638988 /nfs/dbraw/zinc/63/89/88/379638988.db2.gz AMIXSHQYVJVWNG-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000280204205 379638997 /nfs/dbraw/zinc/63/89/97/379638997.db2.gz AMIXSHQYVJVWNG-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280204205 379639004 /nfs/dbraw/zinc/63/90/04/379639004.db2.gz AMIXSHQYVJVWNG-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000280204205 379639013 /nfs/dbraw/zinc/63/90/13/379639013.db2.gz AMIXSHQYVJVWNG-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000347673277 218317390 /nfs/dbraw/zinc/31/73/90/218317390.db2.gz HMKUJBHVHGRHSA-STQMWFEESA-N 2 2 277.799 3.318 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377410923 379676552 /nfs/dbraw/zinc/67/65/52/379676552.db2.gz KNUBFXDJXNZGIW-HIFRSBDPSA-N 2 2 299.418 3.407 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377410923 379676555 /nfs/dbraw/zinc/67/65/55/379676555.db2.gz KNUBFXDJXNZGIW-HIFRSBDPSA-N 2 2 299.418 3.407 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000377648731 379713949 /nfs/dbraw/zinc/71/39/49/379713949.db2.gz LNQMFKLKEODTRR-IBGZPJMESA-N 2 2 296.414 3.226 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000377688554 379722022 /nfs/dbraw/zinc/72/20/22/379722022.db2.gz CCULAHIBILVSFR-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000377688554 379722027 /nfs/dbraw/zinc/72/20/27/379722027.db2.gz CCULAHIBILVSFR-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP CC1(C)CCC(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377717094 379727343 /nfs/dbraw/zinc/72/73/43/379727343.db2.gz DGPZMPMXEMDPSA-CYBMUJFWSA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377717094 379727351 /nfs/dbraw/zinc/72/73/51/379727351.db2.gz DGPZMPMXEMDPSA-CYBMUJFWSA-N 2 2 261.413 3.073 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000267347545 190323008 /nfs/dbraw/zinc/32/30/08/190323008.db2.gz FYACNPVNSBFBHR-UHFFFAOYSA-N 2 2 285.313 3.139 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798468 379743541 /nfs/dbraw/zinc/74/35/41/379743541.db2.gz IPBFXXLCJCGZHJ-GXTWGEPZSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798468 379743547 /nfs/dbraw/zinc/74/35/47/379743547.db2.gz IPBFXXLCJCGZHJ-GXTWGEPZSA-N 2 2 285.391 3.017 20 0 CGADLP CCC1CCC([N@H+](CCc2c[nH+]cn2C)C2CC2)CC1 ZINC000347750741 218344914 /nfs/dbraw/zinc/34/49/14/218344914.db2.gz OOKWUKYYXPZARJ-UHFFFAOYSA-N 2 2 275.440 3.396 20 0 CGADLP CCC1CCC([N@@H+](CCc2c[nH+]cn2C)C2CC2)CC1 ZINC000347750741 218344916 /nfs/dbraw/zinc/34/49/16/218344916.db2.gz OOKWUKYYXPZARJ-UHFFFAOYSA-N 2 2 275.440 3.396 20 0 CGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000347754482 218346042 /nfs/dbraw/zinc/34/60/42/218346042.db2.gz NWAVALIWQHBMEI-UHFFFAOYSA-N 2 2 298.434 3.133 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000389840705 379902721 /nfs/dbraw/zinc/90/27/21/379902721.db2.gz NOBZINZAQCXOMP-ZHALLVOQSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000389840705 379902728 /nfs/dbraw/zinc/90/27/28/379902728.db2.gz NOBZINZAQCXOMP-ZHALLVOQSA-N 2 2 284.447 3.453 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000389810382 379903492 /nfs/dbraw/zinc/90/34/92/379903492.db2.gz FIVDAZKZPCKFNW-WBAXXEDZSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000389810382 379903501 /nfs/dbraw/zinc/90/35/01/379903501.db2.gz FIVDAZKZPCKFNW-WBAXXEDZSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000352806918 379971602 /nfs/dbraw/zinc/97/16/02/379971602.db2.gz BEYZUCDXJAHLKQ-KCQAQPDRSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000352806918 379971610 /nfs/dbraw/zinc/97/16/10/379971610.db2.gz BEYZUCDXJAHLKQ-KCQAQPDRSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000352810380 379973868 /nfs/dbraw/zinc/97/38/68/379973868.db2.gz MRMDLVYUTARXKX-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000352810380 379973876 /nfs/dbraw/zinc/97/38/76/379973876.db2.gz MRMDLVYUTARXKX-MWLCHTKSSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032486 379932874 /nfs/dbraw/zinc/93/28/74/379932874.db2.gz MLERZLBVDIDCCM-SUNKGSAMSA-N 2 2 297.240 3.240 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000641342696 379991740 /nfs/dbraw/zinc/99/17/40/379991740.db2.gz HSFLQLFZACIVOR-OAHLLOKOSA-N 2 2 284.407 3.417 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837925 379992384 /nfs/dbraw/zinc/99/23/84/379992384.db2.gz IIVJTPMTTYLZLS-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837925 379992392 /nfs/dbraw/zinc/99/23/92/379992392.db2.gz IIVJTPMTTYLZLS-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352837925 379992398 /nfs/dbraw/zinc/99/23/98/379992398.db2.gz IIVJTPMTTYLZLS-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352837925 379992405 /nfs/dbraw/zinc/99/24/05/379992405.db2.gz IIVJTPMTTYLZLS-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP CCCOc1cccc2c(N3CC[N@H+](C)C[C@H]3C)cc[nH+]c12 ZINC000352848208 380002494 /nfs/dbraw/zinc/00/24/94/380002494.db2.gz IZKWIUASROJONG-CQSZACIVSA-N 2 2 299.418 3.164 20 0 CGADLP CCCOc1cccc2c(N3CC[N@@H+](C)C[C@H]3C)cc[nH+]c12 ZINC000352848208 380002502 /nfs/dbraw/zinc/00/25/02/380002502.db2.gz IZKWIUASROJONG-CQSZACIVSA-N 2 2 299.418 3.164 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCc2ccccc21)Cc1ccccc1 ZINC000347912848 218396027 /nfs/dbraw/zinc/39/60/27/218396027.db2.gz WABWLKIERBWDQX-IBGZPJMESA-N 2 2 280.415 3.396 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCc2ccccc21)Cc1ccccc1 ZINC000347912848 218396029 /nfs/dbraw/zinc/39/60/29/218396029.db2.gz WABWLKIERBWDQX-IBGZPJMESA-N 2 2 280.415 3.396 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352929544 380045977 /nfs/dbraw/zinc/04/59/77/380045977.db2.gz GYOMPJOIVJTTOE-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352929544 380045986 /nfs/dbraw/zinc/04/59/86/380045986.db2.gz GYOMPJOIVJTTOE-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352929544 380045993 /nfs/dbraw/zinc/04/59/93/380045993.db2.gz GYOMPJOIVJTTOE-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000352929544 380045998 /nfs/dbraw/zinc/04/59/98/380045998.db2.gz GYOMPJOIVJTTOE-SJLPKXTDSA-N 2 2 288.435 3.001 20 0 CGADLP c1cn2c(cccc2C[NH2+]C23CC(c4ccccc4)(C2)C3)[nH+]1 ZINC000641790608 380101998 /nfs/dbraw/zinc/10/19/98/380101998.db2.gz MSWHCZAESXMPRL-UHFFFAOYSA-N 2 2 289.382 3.298 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000641795875 380109408 /nfs/dbraw/zinc/10/94/08/380109408.db2.gz ARSZDPMBCSREHY-BBRMVZONSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000641795875 380109412 /nfs/dbraw/zinc/10/94/12/380109412.db2.gz ARSZDPMBCSREHY-BBRMVZONSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000641798124 380111342 /nfs/dbraw/zinc/11/13/42/380111342.db2.gz KNAVJAGCHAXXGI-KRWDZBQOSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000284125544 380127092 /nfs/dbraw/zinc/12/70/92/380127092.db2.gz NZVVUALBOKBUOQ-GFCCVEGCSA-N 2 2 291.370 3.035 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945128 380248000 /nfs/dbraw/zinc/24/80/00/380248000.db2.gz NLUJFIKZVNQVLR-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945128 380248003 /nfs/dbraw/zinc/24/80/03/380248003.db2.gz NLUJFIKZVNQVLR-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCC)c1cccnc1 ZINC000353987753 380267106 /nfs/dbraw/zinc/26/71/06/380267106.db2.gz RPCYUUHWVHXDBM-SJORKVTESA-N 2 2 275.440 3.387 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCC)c1cccnc1 ZINC000353987753 380267114 /nfs/dbraw/zinc/26/71/14/380267114.db2.gz RPCYUUHWVHXDBM-SJORKVTESA-N 2 2 275.440 3.387 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500918 380320634 /nfs/dbraw/zinc/32/06/34/380320634.db2.gz HXLBEWFGVCTSKE-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000643501319 380322836 /nfs/dbraw/zinc/32/28/36/380322836.db2.gz CVRPCCOBISOAMG-CMPLNLGQSA-N 2 2 270.779 3.272 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501310 380323043 /nfs/dbraw/zinc/32/30/43/380323043.db2.gz CKNUVNWMCUQNGX-YCPHGPKFSA-N 2 2 258.409 3.275 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc(C)c1F ZINC000643502117 380324403 /nfs/dbraw/zinc/32/44/03/380324403.db2.gz XOUQNORKXRSUAE-UKRRQHHQSA-N 2 2 264.388 3.235 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc(C)c1F ZINC000643502116 380325155 /nfs/dbraw/zinc/32/51/55/380325155.db2.gz XOUQNORKXRSUAE-HIFRSBDPSA-N 2 2 264.388 3.235 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c2ccccc12 ZINC000643505819 380326604 /nfs/dbraw/zinc/32/66/04/380326604.db2.gz AFDGUYCELHAEJJ-ZDUSSCGKSA-N 2 2 284.403 3.251 20 0 CGADLP CCCOc1cccc2c(N(C)CC[NH+](C)C)cc[nH+]c12 ZINC000354033416 380289922 /nfs/dbraw/zinc/28/99/22/380289922.db2.gz BBHSXRRYPUIGJM-UHFFFAOYSA-N 2 2 287.407 3.021 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643514518 380336083 /nfs/dbraw/zinc/33/60/83/380336083.db2.gz LHZGSJLLEULQBA-ABAIWWIYSA-N 2 2 268.351 3.059 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000414685276 380373078 /nfs/dbraw/zinc/37/30/78/380373078.db2.gz YTOSTCLYCOBXML-YPMHNXCESA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000414685276 380373092 /nfs/dbraw/zinc/37/30/92/380373092.db2.gz YTOSTCLYCOBXML-YPMHNXCESA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000414686440 380373388 /nfs/dbraw/zinc/37/33/88/380373388.db2.gz ASCIAQRUDJEVOI-CQSZACIVSA-N 2 2 264.388 3.003 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000414686440 380373393 /nfs/dbraw/zinc/37/33/93/380373393.db2.gz ASCIAQRUDJEVOI-CQSZACIVSA-N 2 2 264.388 3.003 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000643800241 380380577 /nfs/dbraw/zinc/38/05/77/380380577.db2.gz GMOLXNMDDVYHBX-JKSUJKDBSA-N 2 2 270.420 3.182 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000643800241 380380578 /nfs/dbraw/zinc/38/05/78/380380578.db2.gz GMOLXNMDDVYHBX-JKSUJKDBSA-N 2 2 270.420 3.182 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000643526008 380340720 /nfs/dbraw/zinc/34/07/20/380340720.db2.gz MFGYMXOFMUIZSG-WDEREUQCSA-N 2 2 294.345 3.439 20 0 CGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)c1 ZINC000643526524 380343073 /nfs/dbraw/zinc/34/30/73/380343073.db2.gz AFDZNHAXLFGIKB-YJBOKZPZSA-N 2 2 268.404 3.330 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)cn1 ZINC000354147582 380344221 /nfs/dbraw/zinc/34/42/21/380344221.db2.gz ULRDQAZXXMOTEH-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)c[nH+]1 ZINC000354147582 380344232 /nfs/dbraw/zinc/34/42/32/380344232.db2.gz ULRDQAZXXMOTEH-QGZVFWFLSA-N 3 2 289.467 3.033 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000643527917 380344892 /nfs/dbraw/zinc/34/48/92/380344892.db2.gz VFTXAKHBXOVVSG-RKDXNWHRSA-N 2 2 297.196 3.193 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000643535571 380350826 /nfs/dbraw/zinc/35/08/26/380350826.db2.gz GYIAQBWWDABXJY-LSJOCFKGSA-N 2 2 291.197 3.344 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000643537658 380353550 /nfs/dbraw/zinc/35/35/50/380353550.db2.gz NRBXGQMAMFOKCQ-BVGQSLNGSA-N 2 2 299.393 3.099 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537514 380353885 /nfs/dbraw/zinc/35/38/85/380353885.db2.gz KPSYJJQULGLCBG-AVGNSLFASA-N 2 2 282.428 3.149 20 0 CGADLP CCSc1cccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000414655856 380354935 /nfs/dbraw/zinc/35/49/35/380354935.db2.gz HRDASJQBILTMFA-OAHLLOKOSA-N 2 2 276.449 3.125 20 0 CGADLP CCSc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000414655856 380354944 /nfs/dbraw/zinc/35/49/44/380354944.db2.gz HRDASJQBILTMFA-OAHLLOKOSA-N 2 2 276.449 3.125 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660982 380357086 /nfs/dbraw/zinc/35/70/86/380357086.db2.gz PIOUBEUVRRFQQX-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660982 380357089 /nfs/dbraw/zinc/35/70/89/380357089.db2.gz PIOUBEUVRRFQQX-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414662665 380358673 /nfs/dbraw/zinc/35/86/73/380358673.db2.gz ZOQKMCYACNGLSM-HNNXBMFYSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414662665 380358675 /nfs/dbraw/zinc/35/86/75/380358675.db2.gz ZOQKMCYACNGLSM-HNNXBMFYSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)c1ccccc1 ZINC000414827100 380436620 /nfs/dbraw/zinc/43/66/20/380436620.db2.gz GNCWATWZCPJAKB-BRWVUGGUSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000414829158 380438680 /nfs/dbraw/zinc/43/86/80/380438680.db2.gz KGTRNKZSRULKBB-HNNXBMFYSA-N 2 2 287.432 3.200 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414835798 380443728 /nfs/dbraw/zinc/44/37/28/380443728.db2.gz HWGIGUMTRRCIFK-ZDUSSCGKSA-N 2 2 264.344 3.035 20 0 CGADLP Cc1ncsc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414854180 380455329 /nfs/dbraw/zinc/45/53/29/380455329.db2.gz YRKBKUOFSIKCSZ-HNNXBMFYSA-N 2 2 289.448 3.365 20 0 CGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1C(F)(F)F ZINC000414796978 380410784 /nfs/dbraw/zinc/41/07/84/380410784.db2.gz YJTSFGRGXWZONZ-UHFFFAOYSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1C(F)(F)F ZINC000414796978 380410790 /nfs/dbraw/zinc/41/07/90/380410790.db2.gz YJTSFGRGXWZONZ-UHFFFAOYSA-N 2 2 286.341 3.327 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000414928390 380493240 /nfs/dbraw/zinc/49/32/40/380493240.db2.gz BADNOIWNZKUBHK-BXKDBHETSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000414928785 380493721 /nfs/dbraw/zinc/49/37/21/380493721.db2.gz MXZLFWATJIDIKE-MRXNPFEDSA-N 2 2 298.430 3.135 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414935198 380496159 /nfs/dbraw/zinc/49/61/59/380496159.db2.gz AVUGSZRRHUDLFT-CQSZACIVSA-N 2 2 276.424 3.096 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000354648970 380514464 /nfs/dbraw/zinc/51/44/64/380514464.db2.gz NQFUZWIBKDFKHM-HOTGVXAUSA-N 2 2 276.424 3.117 20 0 CGADLP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2)c1 ZINC000414891734 380476020 /nfs/dbraw/zinc/47/60/20/380476020.db2.gz WVJOHPRZQRHHKU-OAHLLOKOSA-N 2 2 286.350 3.070 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000414896522 380477515 /nfs/dbraw/zinc/47/75/15/380477515.db2.gz PDKDMEIGAUPMSN-LBPRGKRZSA-N 2 2 292.732 3.186 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000414896521 380478166 /nfs/dbraw/zinc/47/81/66/380478166.db2.gz PDKDMEIGAUPMSN-GFCCVEGCSA-N 2 2 292.732 3.186 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2([C@H](C)CCO)CCC2)c[nH+]1 ZINC000354546103 380480411 /nfs/dbraw/zinc/48/04/11/380480411.db2.gz IZHWFFWOUILMEL-OAHLLOKOSA-N 2 2 290.451 3.101 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354699204 380531060 /nfs/dbraw/zinc/53/10/60/380531060.db2.gz FPPJJJWJPSGQCF-CQSZACIVSA-N 2 2 279.428 3.184 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354699204 380531068 /nfs/dbraw/zinc/53/10/68/380531068.db2.gz FPPJJJWJPSGQCF-CQSZACIVSA-N 2 2 279.428 3.184 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000354901190 380564695 /nfs/dbraw/zinc/56/46/95/380564695.db2.gz YLPDBHSKWVBJJJ-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000354901190 380564697 /nfs/dbraw/zinc/56/46/97/380564697.db2.gz YLPDBHSKWVBJJJ-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000417344228 380600468 /nfs/dbraw/zinc/60/04/68/380600468.db2.gz VQHBFSFYGIMOLW-OIISXLGYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000417344228 380600470 /nfs/dbraw/zinc/60/04/70/380600470.db2.gz VQHBFSFYGIMOLW-OIISXLGYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417346052 380601768 /nfs/dbraw/zinc/60/17/68/380601768.db2.gz TVOKHOWWLQVRRQ-YIYPIFLZSA-N 2 2 287.432 3.041 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352610 380603572 /nfs/dbraw/zinc/60/35/72/380603572.db2.gz VMOYBUGFLGEZTK-MROQNXINSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352610 380603578 /nfs/dbraw/zinc/60/35/78/380603578.db2.gz VMOYBUGFLGEZTK-MROQNXINSA-N 2 2 287.432 3.110 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CC1)CCCO2 ZINC000417357307 380604964 /nfs/dbraw/zinc/60/49/64/380604964.db2.gz RDTFYNLJMAVETJ-INIZCTEOSA-N 2 2 288.435 3.201 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000417359550 380608258 /nfs/dbraw/zinc/60/82/58/380608258.db2.gz WDXPVWKIVUTNOL-IRXDYDNUSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417365974 380611557 /nfs/dbraw/zinc/61/15/57/380611557.db2.gz OFZHZVRVCLKTQX-ZFWWWQNUSA-N 2 2 267.376 3.323 20 0 CGADLP Fc1ccc2c(cc[nH+]c2NCCCCn2cc[nH+]c2)c1 ZINC000645206309 380615996 /nfs/dbraw/zinc/61/59/96/380615996.db2.gz UYRSOCQGVZTXGK-UHFFFAOYSA-N 2 2 284.338 3.463 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000417808180 380679127 /nfs/dbraw/zinc/67/91/27/380679127.db2.gz JFNGIHZCRHBGNF-HIFRSBDPSA-N 2 2 273.380 3.469 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000417808180 380679129 /nfs/dbraw/zinc/67/91/29/380679129.db2.gz JFNGIHZCRHBGNF-HIFRSBDPSA-N 2 2 273.380 3.469 20 0 CGADLP C[NH+](C)C1(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000418114709 380703426 /nfs/dbraw/zinc/70/34/26/380703426.db2.gz MLTHXSPAIVAZKR-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP Clc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355705522 380755644 /nfs/dbraw/zinc/75/56/44/380755644.db2.gz LLXLHLOXZOWYCT-UHFFFAOYSA-N 2 2 287.750 3.409 20 0 CGADLP CC[C@H]1C[NH+](CCCc2c[nH+]ccc2C)C[C@H](CC)O1 ZINC000421384835 380929602 /nfs/dbraw/zinc/92/96/02/380929602.db2.gz FPVVGKBNNMNFFZ-IRXDYDNUSA-N 2 2 276.424 3.212 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358395877 381308027 /nfs/dbraw/zinc/30/80/27/381308027.db2.gz ISYFWGHDQMHCCS-HEHGZKQESA-N 2 2 278.465 3.399 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358395877 381308034 /nfs/dbraw/zinc/30/80/34/381308034.db2.gz ISYFWGHDQMHCCS-HEHGZKQESA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)[C@@H](C)C1 ZINC000359662066 381360992 /nfs/dbraw/zinc/36/09/92/381360992.db2.gz IVJVQPMJUCLBOA-WHOFXGATSA-N 2 2 264.438 3.129 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2cccs2)C2CC2)[C@@H](C)C1 ZINC000359662066 381360999 /nfs/dbraw/zinc/36/09/99/381360999.db2.gz IVJVQPMJUCLBOA-WHOFXGATSA-N 2 2 264.438 3.129 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000360021571 381414748 /nfs/dbraw/zinc/41/47/48/381414748.db2.gz FUKDRVCWFUHBCT-WBVHZDCISA-N 2 2 294.483 3.046 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000360021571 381414753 /nfs/dbraw/zinc/41/47/53/381414753.db2.gz FUKDRVCWFUHBCT-WBVHZDCISA-N 2 2 294.483 3.046 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000360079805 381438132 /nfs/dbraw/zinc/43/81/32/381438132.db2.gz PYYDLVJBENSFBH-ZBFHGGJFSA-N 2 2 299.418 3.428 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221164779 542287627 /nfs/dbraw/zinc/28/76/27/542287627.db2.gz PEKYJJDZWLRRLW-NSHDSACASA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000221164779 542287630 /nfs/dbraw/zinc/28/76/30/542287630.db2.gz PEKYJJDZWLRRLW-NSHDSACASA-N 2 2 273.207 3.177 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(Cl)c1 ZINC000334867434 207214958 /nfs/dbraw/zinc/21/49/58/207214958.db2.gz FLTNBMDLAYOLIQ-WDEREUQCSA-N 2 2 270.779 3.018 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000360897622 381633251 /nfs/dbraw/zinc/63/32/51/381633251.db2.gz MSOLSZFZOPYORS-VNQPRFMTSA-N 2 2 276.424 3.076 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000360897622 381633258 /nfs/dbraw/zinc/63/32/58/381633258.db2.gz MSOLSZFZOPYORS-VNQPRFMTSA-N 2 2 276.424 3.076 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000361347134 381711059 /nfs/dbraw/zinc/71/10/59/381711059.db2.gz SJIIZZGZDGEQFS-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000361347134 381711063 /nfs/dbraw/zinc/71/10/63/381711063.db2.gz SJIIZZGZDGEQFS-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361596693 381827330 /nfs/dbraw/zinc/82/73/30/381827330.db2.gz UMPUVDKCBLJRLA-OLZOCXBDSA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361596693 381827336 /nfs/dbraw/zinc/82/73/36/381827336.db2.gz UMPUVDKCBLJRLA-OLZOCXBDSA-N 2 2 289.345 3.326 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1 ZINC000361981308 381878661 /nfs/dbraw/zinc/87/86/61/381878661.db2.gz NZVJSKMESQGBLL-DOPJRALCSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1 ZINC000361981308 381878667 /nfs/dbraw/zinc/87/86/67/381878667.db2.gz NZVJSKMESQGBLL-DOPJRALCSA-N 2 2 288.435 3.219 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000361749506 381866370 /nfs/dbraw/zinc/86/63/70/381866370.db2.gz KCJHKUOEAJTWEJ-XIRDDKMYSA-N 2 2 290.451 3.322 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000361749506 381866375 /nfs/dbraw/zinc/86/63/75/381866375.db2.gz KCJHKUOEAJTWEJ-XIRDDKMYSA-N 2 2 290.451 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000362523391 382036387 /nfs/dbraw/zinc/03/63/87/382036387.db2.gz DRPNRLZCXVJVSX-HZMBPMFUSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000362523391 382036392 /nfs/dbraw/zinc/03/63/92/382036392.db2.gz DRPNRLZCXVJVSX-HZMBPMFUSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000362913139 382144405 /nfs/dbraw/zinc/14/44/05/382144405.db2.gz LHLKGXPXCRYIPJ-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000362913139 382144408 /nfs/dbraw/zinc/14/44/08/382144408.db2.gz LHLKGXPXCRYIPJ-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000228512763 542298857 /nfs/dbraw/zinc/29/88/57/542298857.db2.gz AXZPLYOIOINVJE-INIZCTEOSA-N 2 2 282.431 3.358 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416668 542349911 /nfs/dbraw/zinc/34/99/11/542349911.db2.gz PASFBOFEOPNVLP-IIYDPXPESA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416668 542349916 /nfs/dbraw/zinc/34/99/16/542349916.db2.gz PASFBOFEOPNVLP-IIYDPXPESA-N 2 2 294.389 3.490 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000289841207 197502080 /nfs/dbraw/zinc/50/20/80/197502080.db2.gz KFRQHASARBOGGT-GOEBONIOSA-N 2 2 296.418 3.349 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423376726 533000508 /nfs/dbraw/zinc/00/05/08/533000508.db2.gz BDPFLYLABQQMMJ-QAPCUYQASA-N 2 2 268.404 3.168 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000423353988 533005409 /nfs/dbraw/zinc/00/54/09/533005409.db2.gz CJFMERNKCTXBBT-SUNKGSAMSA-N 2 2 282.428 3.196 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335402145 208375055 /nfs/dbraw/zinc/37/50/55/208375055.db2.gz ZUKUIYPXBCHOOS-LBPRGKRZSA-N 2 2 273.355 3.489 20 0 CGADLP CC[NH+](CC)CCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289427713 197341583 /nfs/dbraw/zinc/34/15/83/197341583.db2.gz VICLFOBRACGECC-UHFFFAOYSA-N 2 2 293.430 3.074 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766812 220314159 /nfs/dbraw/zinc/31/41/59/220314159.db2.gz ISDXRMOSAJZALU-WCQYABFASA-N 2 2 270.804 3.095 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766812 220314163 /nfs/dbraw/zinc/31/41/63/220314163.db2.gz ISDXRMOSAJZALU-WCQYABFASA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766812 220314166 /nfs/dbraw/zinc/31/41/66/220314166.db2.gz ISDXRMOSAJZALU-WCQYABFASA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000353766812 220314168 /nfs/dbraw/zinc/31/41/68/220314168.db2.gz ISDXRMOSAJZALU-WCQYABFASA-N 2 2 270.804 3.095 20 0 CGADLP COCC[C@@H]1CCCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750169 285144416 /nfs/dbraw/zinc/14/44/16/285144416.db2.gz BGYINYIJQYWSLQ-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750169 285144417 /nfs/dbraw/zinc/14/44/17/285144417.db2.gz BGYINYIJQYWSLQ-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450750169 285144418 /nfs/dbraw/zinc/14/44/18/285144418.db2.gz BGYINYIJQYWSLQ-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450750169 285144420 /nfs/dbraw/zinc/14/44/20/285144420.db2.gz BGYINYIJQYWSLQ-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000289154475 197249267 /nfs/dbraw/zinc/24/92/67/197249267.db2.gz QLWKHUOTOPNZCR-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000289154475 197249269 /nfs/dbraw/zinc/24/92/69/197249269.db2.gz QLWKHUOTOPNZCR-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000337986820 296390821 /nfs/dbraw/zinc/39/08/21/296390821.db2.gz JCDFMJPQIFXROE-PMPSAXMXSA-N 2 2 270.436 3.226 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000337986820 296390823 /nfs/dbraw/zinc/39/08/23/296390823.db2.gz JCDFMJPQIFXROE-PMPSAXMXSA-N 2 2 270.436 3.226 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000423280097 533131881 /nfs/dbraw/zinc/13/18/81/533131881.db2.gz SXCFFVHPAOJZMX-MOPGFXCFSA-N 2 2 298.430 3.358 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153432458 285211436 /nfs/dbraw/zinc/21/14/36/285211436.db2.gz QQIUQEUJRWHYTH-CABCVRRESA-N 2 2 296.480 3.146 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000298041325 542410492 /nfs/dbraw/zinc/41/04/92/542410492.db2.gz HHFIOGXWADGWSP-HNNXBMFYSA-N 2 2 271.408 3.434 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccccc1 ZINC000298041325 542410496 /nfs/dbraw/zinc/41/04/96/542410496.db2.gz HHFIOGXWADGWSP-HNNXBMFYSA-N 2 2 271.408 3.434 20 0 CGADLP Cc1[nH+]cccc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000311791610 542430822 /nfs/dbraw/zinc/43/08/22/542430822.db2.gz ZYRHFIYQZOUUDH-RYUDHWBXSA-N 2 2 255.365 3.006 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355722 542443870 /nfs/dbraw/zinc/44/38/70/542443870.db2.gz OVPCLHLYUYCDDS-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355722 542443873 /nfs/dbraw/zinc/44/38/73/542443873.db2.gz OVPCLHLYUYCDDS-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353291713 285288630 /nfs/dbraw/zinc/28/86/30/285288630.db2.gz ODAKXBMVUWQIHV-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353291713 285288634 /nfs/dbraw/zinc/28/86/34/285288634.db2.gz ODAKXBMVUWQIHV-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839550 542523097 /nfs/dbraw/zinc/52/30/97/542523097.db2.gz WUICJVPWUOLDBG-GJZGRUSLSA-N 2 2 270.380 3.173 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414193512 533306132 /nfs/dbraw/zinc/30/61/32/533306132.db2.gz IERYAOXOIZVOJI-GJZGRUSLSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C ZINC000414055233 533445110 /nfs/dbraw/zinc/44/51/10/533445110.db2.gz CIFVBURFAVCEMW-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423251467 533411559 /nfs/dbraw/zinc/41/15/59/533411559.db2.gz WHKYTTBDDQXOHI-BDJLRTHQSA-N 2 2 276.330 3.315 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423532710 533416532 /nfs/dbraw/zinc/41/65/32/533416532.db2.gz ROTYVIKPMYWWFX-BBRMVZONSA-N 2 2 276.424 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423314759 533431781 /nfs/dbraw/zinc/43/17/81/533431781.db2.gz HRCSKDHVTNQNDU-DYVFJYSZSA-N 2 2 297.402 3.262 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2n1 ZINC000427856958 533528216 /nfs/dbraw/zinc/52/82/16/533528216.db2.gz HLUZVFXPCIHWNH-UKRRQHHQSA-N 2 2 292.386 3.097 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1OC(F)F ZINC000423535152 533510773 /nfs/dbraw/zinc/51/07/73/533510773.db2.gz XCQWASCQPQMRNP-RISCZKNCSA-N 2 2 298.377 3.456 20 0 CGADLP CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361743996 542585861 /nfs/dbraw/zinc/58/58/61/542585861.db2.gz DWEQERDAHKVACP-MSOLQXFVSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@@H]([NH2+]CCCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905955 130038035 /nfs/dbraw/zinc/03/80/35/130038035.db2.gz TUDDLMTUPRXGMS-OAHLLOKOSA-N 2 2 287.407 3.076 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000391132580 542612490 /nfs/dbraw/zinc/61/24/90/542612490.db2.gz HBELIAWFQFWUAZ-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000391132580 542612496 /nfs/dbraw/zinc/61/24/96/542612496.db2.gz HBELIAWFQFWUAZ-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000403531377 542624040 /nfs/dbraw/zinc/62/40/40/542624040.db2.gz OIHWATGVIHHMPN-OWCLPIDISA-N 2 2 262.441 3.031 20 0 CGADLP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000403531377 542624043 /nfs/dbraw/zinc/62/40/43/542624043.db2.gz OIHWATGVIHHMPN-OWCLPIDISA-N 2 2 262.441 3.031 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000191676874 130278055 /nfs/dbraw/zinc/27/80/55/130278055.db2.gz WHHCITHXSQCTDR-GFCCVEGCSA-N 2 2 269.348 3.326 20 0 CGADLP C[C@@H](C[NH2+]C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000053488075 392083885 /nfs/dbraw/zinc/08/38/85/392083885.db2.gz NPAXFFUVRKUVJW-HNNXBMFYSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H](C[NH2+]C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000053488075 392083890 /nfs/dbraw/zinc/08/38/90/392083890.db2.gz NPAXFFUVRKUVJW-HNNXBMFYSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079388 392088086 /nfs/dbraw/zinc/08/80/86/392088086.db2.gz KNNPJKQJLBFHHG-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079388 392088095 /nfs/dbraw/zinc/08/80/95/392088095.db2.gz KNNPJKQJLBFHHG-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000335042053 285468634 /nfs/dbraw/zinc/46/86/34/285468634.db2.gz XFLVKVSZLVXTHI-UONOGXRCSA-N 2 2 299.443 3.139 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000361762563 392317067 /nfs/dbraw/zinc/31/70/67/392317067.db2.gz BVXJVTYGYWUMGQ-GMXVVIOVSA-N 2 2 281.469 3.147 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000361762563 392317074 /nfs/dbraw/zinc/31/70/74/392317074.db2.gz BVXJVTYGYWUMGQ-GMXVVIOVSA-N 2 2 281.469 3.147 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2n1 ZINC000361767075 392319302 /nfs/dbraw/zinc/31/93/02/392319302.db2.gz OYWHEYMOONIQEJ-IJEWVQPXSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2n1 ZINC000361767075 392319312 /nfs/dbraw/zinc/31/93/12/392319312.db2.gz OYWHEYMOONIQEJ-IJEWVQPXSA-N 2 2 283.419 3.368 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361812987 392331906 /nfs/dbraw/zinc/33/19/06/392331906.db2.gz NTVPVLLYQSZNEA-BXUZGUMPSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361812987 392331909 /nfs/dbraw/zinc/33/19/09/392331909.db2.gz NTVPVLLYQSZNEA-BXUZGUMPSA-N 2 2 282.428 3.120 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000361844736 392344161 /nfs/dbraw/zinc/34/41/61/392344161.db2.gz XIVSYTDATLCAOA-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000361844736 392344167 /nfs/dbraw/zinc/34/41/67/392344167.db2.gz XIVSYTDATLCAOA-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000237519405 131038647 /nfs/dbraw/zinc/03/86/47/131038647.db2.gz NDKVQVANQRNXCG-OAHLLOKOSA-N 2 2 279.387 3.270 20 0 CGADLP CSC[C@@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000361802285 392324944 /nfs/dbraw/zinc/32/49/44/392324944.db2.gz YULKHMIQCZQDCS-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CSC[C@@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000361802285 392324950 /nfs/dbraw/zinc/32/49/50/392324950.db2.gz YULKHMIQCZQDCS-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000245578546 131087355 /nfs/dbraw/zinc/08/73/55/131087355.db2.gz BQIJOXFEATWSDL-FZMZJTMJSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000245578546 131087356 /nfs/dbraw/zinc/08/73/56/131087356.db2.gz BQIJOXFEATWSDL-FZMZJTMJSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251057324 131128655 /nfs/dbraw/zinc/12/86/55/131128655.db2.gz VXSPUQJMQHDAOG-HOCLYGCPSA-N 2 2 273.424 3.100 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251057324 131128656 /nfs/dbraw/zinc/12/86/56/131128656.db2.gz VXSPUQJMQHDAOG-HOCLYGCPSA-N 2 2 273.424 3.100 20 0 CGADLP C[C@H](CC[N@@H+]1CCC[C@@](C)(F)C1)[NH+]1CCC[C@@](C)(F)C1 ZINC000451111180 542674162 /nfs/dbraw/zinc/67/41/62/542674162.db2.gz DOKFIMANCXQPII-BZUAXINKSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[N@H+]1CCC[C@@](C)(F)C1)[NH+]1CCC[C@@](C)(F)C1 ZINC000451111180 542674168 /nfs/dbraw/zinc/67/41/68/542674168.db2.gz DOKFIMANCXQPII-BZUAXINKSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@@](C)(F)C1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451111180 542674173 /nfs/dbraw/zinc/67/41/73/542674173.db2.gz DOKFIMANCXQPII-BZUAXINKSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@@](C)(F)C1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451111180 542674177 /nfs/dbraw/zinc/67/41/77/542674177.db2.gz DOKFIMANCXQPII-BZUAXINKSA-N 2 2 288.426 3.413 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CC2 ZINC000361969804 392378885 /nfs/dbraw/zinc/37/88/85/392378885.db2.gz COUIWDAXMFRVLE-DLBZAZTESA-N 2 2 290.476 3.009 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCSC1 ZINC000361972161 392379102 /nfs/dbraw/zinc/37/91/02/392379102.db2.gz PLCZSMMSDPAYBC-IAGOWNOFSA-N 2 2 290.476 3.091 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000361972951 392379332 /nfs/dbraw/zinc/37/93/32/392379332.db2.gz VDJJYHVVEVBVET-HOCLYGCPSA-N 2 2 278.465 3.083 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCSC1 ZINC000361972163 392379520 /nfs/dbraw/zinc/37/95/20/392379520.db2.gz PLCZSMMSDPAYBC-SJORKVTESA-N 2 2 290.476 3.091 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000289326897 392420779 /nfs/dbraw/zinc/42/07/79/392420779.db2.gz UISQOLPEXVWEFS-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000289326897 392420787 /nfs/dbraw/zinc/42/07/87/392420787.db2.gz UISQOLPEXVWEFS-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000154526437 392535149 /nfs/dbraw/zinc/53/51/49/392535149.db2.gz DHZUPVMDWNKKQW-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000154526437 392535155 /nfs/dbraw/zinc/53/51/55/392535155.db2.gz DHZUPVMDWNKKQW-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947435 392490163 /nfs/dbraw/zinc/49/01/63/392490163.db2.gz PSTQBLIHWIKCHP-UAGQMJEPSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1OC ZINC000151947435 392490169 /nfs/dbraw/zinc/49/01/69/392490169.db2.gz PSTQBLIHWIKCHP-UAGQMJEPSA-N 2 2 290.451 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@]1(C)CCCS1 ZINC000327836977 392673772 /nfs/dbraw/zinc/67/37/72/392673772.db2.gz CORJTYHNENPTOC-INIZCTEOSA-N 2 2 289.448 3.220 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592188 392681365 /nfs/dbraw/zinc/68/13/65/392681365.db2.gz GFTTZLXHZPBXHF-MAUKXSAKSA-N 2 2 299.418 3.365 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592188 392681369 /nfs/dbraw/zinc/68/13/69/392681369.db2.gz GFTTZLXHZPBXHF-MAUKXSAKSA-N 2 2 299.418 3.365 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccncc1 ZINC000647281813 392632996 /nfs/dbraw/zinc/63/29/96/392632996.db2.gz JLSCRVBLUIVYDJ-KRWDZBQOSA-N 2 2 275.440 3.244 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000309957536 392658338 /nfs/dbraw/zinc/65/83/38/392658338.db2.gz JEMRIUGAWIVPQE-UHFFFAOYSA-N 2 2 279.236 3.239 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000647315807 392660357 /nfs/dbraw/zinc/66/03/57/392660357.db2.gz AOKVEPKCDUJDFI-CABCVRRESA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000647315807 392660360 /nfs/dbraw/zinc/66/03/60/392660360.db2.gz AOKVEPKCDUJDFI-CABCVRRESA-N 2 2 270.420 3.199 20 0 CGADLP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553803 392767221 /nfs/dbraw/zinc/76/72/21/392767221.db2.gz JXNDLVBVSCPCLK-KRWDZBQOSA-N 2 2 270.420 3.328 20 0 CGADLP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000647488779 392738959 /nfs/dbraw/zinc/73/89/59/392738959.db2.gz SOMXYABJJGMNRO-KGLIPLIRSA-N 2 2 291.464 3.127 20 0 CGADLP c1nc(C2CC2)c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000647488779 392738962 /nfs/dbraw/zinc/73/89/62/392738962.db2.gz SOMXYABJJGMNRO-KGLIPLIRSA-N 2 2 291.464 3.127 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1[NH3+] ZINC000647497262 392740710 /nfs/dbraw/zinc/74/07/10/392740710.db2.gz BCAWWGRSIMBKSF-KOLCDFICSA-N 2 2 292.370 3.326 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1[NH3+] ZINC000647497262 392740713 /nfs/dbraw/zinc/74/07/13/392740713.db2.gz BCAWWGRSIMBKSF-KOLCDFICSA-N 2 2 292.370 3.326 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000647531421 392754106 /nfs/dbraw/zinc/75/41/06/392754106.db2.gz VHBIXNULXVWFDV-UHFFFAOYSA-N 2 2 287.432 3.123 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000484288545 542707940 /nfs/dbraw/zinc/70/79/40/542707940.db2.gz AWVPYVCGLRKTRS-UHOFOFEASA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000484288545 542707943 /nfs/dbraw/zinc/70/79/43/542707943.db2.gz AWVPYVCGLRKTRS-UHOFOFEASA-N 2 2 278.415 3.453 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccccc2F)CCC1 ZINC000647552983 392765452 /nfs/dbraw/zinc/76/54/52/392765452.db2.gz IWCNWSKAEKEEKF-CYBMUJFWSA-N 2 2 264.388 3.168 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC(C)(C)C3)cn21 ZINC000647363692 392708563 /nfs/dbraw/zinc/70/85/63/392708563.db2.gz HIMWSJXIOXRCHG-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)Cc3ccsc3)cn21 ZINC000647365052 392708907 /nfs/dbraw/zinc/70/89/07/392708907.db2.gz XSPREHDMFBPQII-CYBMUJFWSA-N 2 2 299.443 3.468 20 0 CGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@H]1[NH3+] ZINC000647938616 392839615 /nfs/dbraw/zinc/83/96/15/392839615.db2.gz QQCXOPDPHWWBDV-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@H]1[NH3+] ZINC000647938616 392839619 /nfs/dbraw/zinc/83/96/19/392839619.db2.gz QQCXOPDPHWWBDV-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@H](CCSc1ccccc1)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000647939622 392839711 /nfs/dbraw/zinc/83/97/11/392839711.db2.gz VATCWBSFFNLXBH-CQSZACIVSA-N 2 2 287.432 3.270 20 0 CGADLP C[C@H](CCSc1ccccc1)[N@H+]1CCn2c[nH+]cc2C1 ZINC000647939622 392839716 /nfs/dbraw/zinc/83/97/16/392839716.db2.gz VATCWBSFFNLXBH-CQSZACIVSA-N 2 2 287.432 3.270 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793357 392798841 /nfs/dbraw/zinc/79/88/41/392798841.db2.gz UVPOTIQERWYUCH-MIGQKNRLSA-N 2 2 258.409 3.383 20 0 CGADLP C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)[C@H]1CCC[NH2+]1 ZINC000647803981 392805411 /nfs/dbraw/zinc/80/54/11/392805411.db2.gz GNJLSKKIKACCEJ-IUODEOHRSA-N 2 2 278.827 3.449 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCc1c(F)cccc1F)C1CC1 ZINC000510665763 392808469 /nfs/dbraw/zinc/80/84/69/392808469.db2.gz CUHOPGNRIRDIGL-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCc1c(F)cccc1F)C1CC1 ZINC000510665763 392808473 /nfs/dbraw/zinc/80/84/73/392808473.db2.gz CUHOPGNRIRDIGL-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815161 392808938 /nfs/dbraw/zinc/80/89/38/392808938.db2.gz RMXNZKKSRBUVIW-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815161 392808949 /nfs/dbraw/zinc/80/89/49/392808949.db2.gz RMXNZKKSRBUVIW-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647872257 392818552 /nfs/dbraw/zinc/81/85/52/392818552.db2.gz OLZZWKKJKAEFQB-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647872257 392818555 /nfs/dbraw/zinc/81/85/55/392818555.db2.gz OLZZWKKJKAEFQB-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890788 392828698 /nfs/dbraw/zinc/82/86/98/392828698.db2.gz UFZSYGCSNJPHDN-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890788 392828702 /nfs/dbraw/zinc/82/87/02/392828702.db2.gz UFZSYGCSNJPHDN-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337421532 392884915 /nfs/dbraw/zinc/88/49/15/392884915.db2.gz FSUKLBQHQZDBFP-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337421532 392884923 /nfs/dbraw/zinc/88/49/23/392884923.db2.gz FSUKLBQHQZDBFP-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000519767236 392894066 /nfs/dbraw/zinc/89/40/66/392894066.db2.gz YKGSHHOPSUUAFU-NSHDSACASA-N 2 2 256.340 3.004 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337989895 392895291 /nfs/dbraw/zinc/89/52/91/392895291.db2.gz RRWMBJRYWXTKTL-FSDCSDTHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337989895 392895294 /nfs/dbraw/zinc/89/52/94/392895294.db2.gz RRWMBJRYWXTKTL-FSDCSDTHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000194412884 392919879 /nfs/dbraw/zinc/91/98/79/392919879.db2.gz HFCOTVUQNXUSPL-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000194412884 392919886 /nfs/dbraw/zinc/91/98/86/392919886.db2.gz HFCOTVUQNXUSPL-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412884 392919890 /nfs/dbraw/zinc/91/98/90/392919890.db2.gz HFCOTVUQNXUSPL-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412884 392919900 /nfs/dbraw/zinc/91/99/00/392919900.db2.gz HFCOTVUQNXUSPL-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381519016 392909848 /nfs/dbraw/zinc/90/98/48/392909848.db2.gz MGZYIHOYRAARPM-VMAZRHSESA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381519016 392909854 /nfs/dbraw/zinc/90/98/54/392909854.db2.gz MGZYIHOYRAARPM-VMAZRHSESA-N 2 2 264.457 3.275 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192671376 392856794 /nfs/dbraw/zinc/85/67/94/392856794.db2.gz CTSMGMHPERCUMS-SFHVURJKSA-N 2 2 287.451 3.255 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337256739 392878655 /nfs/dbraw/zinc/87/86/55/392878655.db2.gz NMDHGXJAEOZOMZ-YEWFCNIMSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337256739 392878659 /nfs/dbraw/zinc/87/86/59/392878659.db2.gz NMDHGXJAEOZOMZ-YEWFCNIMSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324931 392947237 /nfs/dbraw/zinc/94/72/37/392947237.db2.gz CZCFBQGNHGSBAL-MJVIPROJSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)sn1 ZINC000404504096 392967985 /nfs/dbraw/zinc/96/79/85/392967985.db2.gz KDRLZWLXXAOACJ-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)sn1 ZINC000404504096 392967990 /nfs/dbraw/zinc/96/79/90/392967990.db2.gz KDRLZWLXXAOACJ-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450135 393023767 /nfs/dbraw/zinc/02/37/67/393023767.db2.gz YVVJXUXAMRTHNH-RHSMWYFYSA-N 2 2 298.430 3.438 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450135 393023770 /nfs/dbraw/zinc/02/37/70/393023770.db2.gz YVVJXUXAMRTHNH-RHSMWYFYSA-N 2 2 298.430 3.438 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000467416888 393098546 /nfs/dbraw/zinc/09/85/46/393098546.db2.gz CUDJWPOQZQZKSR-WWGRRREGSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000467416888 393098550 /nfs/dbraw/zinc/09/85/50/393098550.db2.gz CUDJWPOQZQZKSR-WWGRRREGSA-N 2 2 278.465 3.399 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000546575724 393058550 /nfs/dbraw/zinc/05/85/50/393058550.db2.gz NRMRNTLLHSJQOM-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2ccc(F)cc2)CC1 ZINC000546575724 393058558 /nfs/dbraw/zinc/05/85/58/393058558.db2.gz NRMRNTLLHSJQOM-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952597 393061280 /nfs/dbraw/zinc/06/12/80/393061280.db2.gz KQQDFNCIXHFCTF-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414954850 393062721 /nfs/dbraw/zinc/06/27/21/393062721.db2.gz NMOCTFMBIVAYTG-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414969802 393072830 /nfs/dbraw/zinc/07/28/30/393072830.db2.gz JOHQIMFGNSMNPX-LBPRGKRZSA-N 2 2 287.234 3.471 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415051797 393115568 /nfs/dbraw/zinc/11/55/68/393115568.db2.gz MMDUESKOKYNDGD-BZNIZROVSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415051797 393115574 /nfs/dbraw/zinc/11/55/74/393115574.db2.gz MMDUESKOKYNDGD-BZNIZROVSA-N 2 2 298.352 3.068 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)c1 ZINC000415068936 393125810 /nfs/dbraw/zinc/12/58/10/393125810.db2.gz RVVYDSXTFIKKGG-IBGZPJMESA-N 2 2 298.430 3.437 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1sccc1OC ZINC000415068486 393126983 /nfs/dbraw/zinc/12/69/83/393126983.db2.gz RDASCTGZRQOMNC-AWEZNQCLSA-N 2 2 290.432 3.109 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415068442 393126994 /nfs/dbraw/zinc/12/69/94/393126994.db2.gz FBCIVQFVMJVVEI-CQSZACIVSA-N 2 2 286.341 3.246 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1CCCC1 ZINC000415070814 393127904 /nfs/dbraw/zinc/12/79/04/393127904.db2.gz VPNJBDZRXSPWFL-ZDUSSCGKSA-N 2 2 270.779 3.086 20 0 CGADLP CSc1cc(C)ccc1C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415084878 393139227 /nfs/dbraw/zinc/13/92/27/393139227.db2.gz PDGYULDBZCHRKV-CQSZACIVSA-N 2 2 266.454 3.180 20 0 CGADLP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415121605 393151487 /nfs/dbraw/zinc/15/14/87/393151487.db2.gz MWDBUUQRVOBBNV-VQIMIIECSA-N 2 2 298.405 3.451 20 0 CGADLP CC(C)n1nccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000353923842 393235117 /nfs/dbraw/zinc/23/51/17/393235117.db2.gz BDYKBZSHJRLAFH-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP CC(C)n1nccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000353923842 393235125 /nfs/dbraw/zinc/23/51/25/393235125.db2.gz BDYKBZSHJRLAFH-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000354025476 393237539 /nfs/dbraw/zinc/23/75/39/393237539.db2.gz DVMICQWGMZRCGR-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000354025476 393237543 /nfs/dbraw/zinc/23/75/43/393237543.db2.gz DVMICQWGMZRCGR-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560789 393200658 /nfs/dbraw/zinc/20/06/58/393200658.db2.gz RQKCGLDWHIRFGR-SMDDNHRTSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560789 393200665 /nfs/dbraw/zinc/20/06/65/393200665.db2.gz RQKCGLDWHIRFGR-SMDDNHRTSA-N 2 2 298.833 3.296 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777849 393325895 /nfs/dbraw/zinc/32/58/95/393325895.db2.gz XCTQELCBFIDILP-RDJZCZTQSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777849 393325903 /nfs/dbraw/zinc/32/59/03/393325903.db2.gz XCTQELCBFIDILP-RDJZCZTQSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CO[C@@H](C)C2)c(C)c1 ZINC000647196376 393381342 /nfs/dbraw/zinc/38/13/42/393381342.db2.gz ZJIQMEHDENZBCA-JZXOWHBKSA-N 2 2 299.418 3.008 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000417354206 393348712 /nfs/dbraw/zinc/34/87/12/393348712.db2.gz LIGIXXUBBUKLSV-OAHLLOKOSA-N 2 2 278.827 3.401 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000475094265 393370543 /nfs/dbraw/zinc/37/05/43/393370543.db2.gz USCVEBTWUVQUJO-CABCVRRESA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647182311 393374607 /nfs/dbraw/zinc/37/46/07/393374607.db2.gz UYEZQBAFBMFZAB-CYBMUJFWSA-N 2 2 260.372 3.028 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647182311 393374609 /nfs/dbraw/zinc/37/46/09/393374609.db2.gz UYEZQBAFBMFZAB-CYBMUJFWSA-N 2 2 260.372 3.028 20 0 CGADLP Cc1cccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CC[NH2+]C2)c1 ZINC000649412599 393415926 /nfs/dbraw/zinc/41/59/26/393415926.db2.gz WPAZPJRTSDTWCJ-GOSISDBHSA-N 2 2 295.430 3.002 20 0 CGADLP Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@H]2CC[NH2+]C2)c1 ZINC000649412599 393415929 /nfs/dbraw/zinc/41/59/29/393415929.db2.gz WPAZPJRTSDTWCJ-GOSISDBHSA-N 2 2 295.430 3.002 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC[C@H]1[NH3+] ZINC000649416486 393417106 /nfs/dbraw/zinc/41/71/06/393417106.db2.gz BTMICCHKIMUOSE-JHJVBQTASA-N 2 2 279.428 3.092 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC[C@H]1[NH3+] ZINC000649416486 393417110 /nfs/dbraw/zinc/41/71/10/393417110.db2.gz BTMICCHKIMUOSE-JHJVBQTASA-N 2 2 279.428 3.092 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262490 393420943 /nfs/dbraw/zinc/42/09/43/393420943.db2.gz AEOMECNSGSUADM-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP C[NH2+][C@@H]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000420153263 393431650 /nfs/dbraw/zinc/43/16/50/393431650.db2.gz FZMYZBYCJJRBEZ-CYBMUJFWSA-N 2 2 290.455 3.086 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481962865 393438957 /nfs/dbraw/zinc/43/89/57/393438957.db2.gz QNSXARWAXQFJDF-QZTJIDSGSA-N 2 2 292.467 3.393 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960241 393447389 /nfs/dbraw/zinc/44/73/89/393447389.db2.gz NYKCTNXIPQJUGP-CZUORRHYSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960241 393447395 /nfs/dbraw/zinc/44/73/95/393447395.db2.gz NYKCTNXIPQJUGP-CZUORRHYSA-N 2 2 292.854 3.345 20 0 CGADLP CC[N@H+](C[C@H](C)[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000420303064 393458093 /nfs/dbraw/zinc/45/80/93/393458093.db2.gz NAQCNAVDLMFIFK-BBRMVZONSA-N 2 2 266.404 3.062 20 0 CGADLP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000420303064 393458099 /nfs/dbraw/zinc/45/80/99/393458099.db2.gz NAQCNAVDLMFIFK-BBRMVZONSA-N 2 2 266.404 3.062 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1Cl ZINC000420309241 393459624 /nfs/dbraw/zinc/45/96/24/393459624.db2.gz DRPGERDAAAENQS-OAHLLOKOSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1Cl ZINC000420309241 393459629 /nfs/dbraw/zinc/45/96/29/393459629.db2.gz DRPGERDAAAENQS-OAHLLOKOSA-N 2 2 296.842 3.296 20 0 CGADLP COC1(C[C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)CCC1 ZINC000429510623 393471842 /nfs/dbraw/zinc/47/18/42/393471842.db2.gz IXTWPTPBWUQUCG-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP COC1(C[C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)CCC1 ZINC000429510623 393471844 /nfs/dbraw/zinc/47/18/44/393471844.db2.gz IXTWPTPBWUQUCG-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)CCc1nc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cs1 ZINC000420362352 393474415 /nfs/dbraw/zinc/47/44/15/393474415.db2.gz NAGPSZVLTMGHHI-CQSZACIVSA-N 2 2 295.496 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)on2)cc1 ZINC000420367005 393476858 /nfs/dbraw/zinc/47/68/58/393476858.db2.gz RUNGEWWTEUABQT-MRXNPFEDSA-N 2 2 287.407 3.113 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000420373271 393477643 /nfs/dbraw/zinc/47/76/43/393477643.db2.gz MKECOIIWSWCTOX-QMMMGPOBSA-N 2 2 279.186 3.393 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672520 393411070 /nfs/dbraw/zinc/41/10/70/393411070.db2.gz UDDYYWKOBOLFCV-MZGVZZPPSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672520 393411073 /nfs/dbraw/zinc/41/10/73/393411073.db2.gz UDDYYWKOBOLFCV-MZGVZZPPSA-N 2 2 278.827 3.126 20 0 CGADLP Fc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)[nH]c2c1 ZINC000488349136 393492402 /nfs/dbraw/zinc/49/24/02/393492402.db2.gz NMKFRNKARGEPGC-CYBMUJFWSA-N 2 2 298.365 3.410 20 0 CGADLP Fc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)[nH]c2c1 ZINC000488349136 393492404 /nfs/dbraw/zinc/49/24/04/393492404.db2.gz NMKFRNKARGEPGC-CYBMUJFWSA-N 2 2 298.365 3.410 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649574247 393493411 /nfs/dbraw/zinc/49/34/11/393493411.db2.gz FIZXLEJYZVADKI-HUUCEWRRSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649574247 393493418 /nfs/dbraw/zinc/49/34/18/393493418.db2.gz FIZXLEJYZVADKI-HUUCEWRRSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(C2CC2)CC1 ZINC000649637948 393521148 /nfs/dbraw/zinc/52/11/48/393521148.db2.gz GAWUVKLRJXVRHC-KRWDZBQOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(C2CC2)CC1 ZINC000649637948 393521152 /nfs/dbraw/zinc/52/11/52/393521152.db2.gz GAWUVKLRJXVRHC-KRWDZBQOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C1CC([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000488460173 393522136 /nfs/dbraw/zinc/52/21/36/393522136.db2.gz JVHAZUBQRIUOFK-DAWZGUTISA-N 2 2 274.452 3.184 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666766867 542814850 /nfs/dbraw/zinc/81/48/50/542814850.db2.gz HIXUQFJRBMPVDT-HNNXBMFYSA-N 2 2 284.403 3.080 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1csc(-c2cccs2)n1)C1CC1 ZINC000430589179 393579831 /nfs/dbraw/zinc/57/98/31/393579831.db2.gz CRYPWZIMVMYSKL-AWEZNQCLSA-N 2 2 293.461 3.089 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])c1C ZINC000430600565 393581154 /nfs/dbraw/zinc/58/11/54/393581154.db2.gz AZRHGGUMLZSYQG-INIZCTEOSA-N 2 2 288.435 3.128 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])c1C ZINC000430600565 393581157 /nfs/dbraw/zinc/58/11/57/393581157.db2.gz AZRHGGUMLZSYQG-INIZCTEOSA-N 2 2 288.435 3.128 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000360896604 393610767 /nfs/dbraw/zinc/61/07/67/393610767.db2.gz HQCBEZIDCRIMOI-XIRDDKMYSA-N 2 2 290.451 3.466 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000360896604 393610770 /nfs/dbraw/zinc/61/07/70/393610770.db2.gz HQCBEZIDCRIMOI-XIRDDKMYSA-N 2 2 290.451 3.466 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360987454 393631468 /nfs/dbraw/zinc/63/14/68/393631468.db2.gz PPGDEXZBWVZJJN-RHSMWYFYSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000360987454 393631473 /nfs/dbraw/zinc/63/14/73/393631473.db2.gz PPGDEXZBWVZJJN-RHSMWYFYSA-N 2 2 288.435 3.234 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748896 393635129 /nfs/dbraw/zinc/63/51/29/393635129.db2.gz RJVUXPNRNYYYGQ-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432748896 393635136 /nfs/dbraw/zinc/63/51/36/393635136.db2.gz RJVUXPNRNYYYGQ-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)CC1 ZINC000432798116 393641310 /nfs/dbraw/zinc/64/13/10/393641310.db2.gz HKWXDNYIGJHBQW-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)CC1 ZINC000432798116 393641313 /nfs/dbraw/zinc/64/13/13/393641313.db2.gz HKWXDNYIGJHBQW-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCC2)Cn1cc[nH+]c1 ZINC000490766774 393655148 /nfs/dbraw/zinc/65/51/48/393655148.db2.gz DUWTXWFFPCIOPL-HNNXBMFYSA-N 2 2 283.419 3.188 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000423234937 393655710 /nfs/dbraw/zinc/65/57/10/393655710.db2.gz MRBOGIJLKPHCHW-HIFRSBDPSA-N 2 2 276.449 3.182 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000423246100 393656047 /nfs/dbraw/zinc/65/60/47/393656047.db2.gz PFVLPXLYZBSIIG-KDOFPFPSSA-N 2 2 290.451 3.215 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423304546 393660615 /nfs/dbraw/zinc/66/06/15/393660615.db2.gz YYMCEYQBHYTAGP-JSGCOSHPSA-N 2 2 280.460 3.115 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000423328434 393662651 /nfs/dbraw/zinc/66/26/51/393662651.db2.gz OBKCRWSYEOBMAM-PRHODGIISA-N 2 2 261.196 3.381 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423367445 393663638 /nfs/dbraw/zinc/66/36/38/393663638.db2.gz MLSMCNKSMHTPPN-GHJWDPDVSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000423388963 393665160 /nfs/dbraw/zinc/66/51/60/393665160.db2.gz UPKOLCSSZLKIKZ-GDBMZVCRSA-N 2 2 276.424 3.105 20 0 CGADLP Cc1cccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361075497 393666317 /nfs/dbraw/zinc/66/63/17/393666317.db2.gz ZCLHKSQXJOAOKF-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000423482056 393670411 /nfs/dbraw/zinc/67/04/11/393670411.db2.gz XDEQIUWEGBTENR-AAEUAGOBSA-N 2 2 270.804 3.127 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(C)o1 ZINC000423494523 393671835 /nfs/dbraw/zinc/67/18/35/393671835.db2.gz ASEGYYVYSQGSRU-NHYWBVRUSA-N 2 2 250.386 3.065 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423570736 393673018 /nfs/dbraw/zinc/67/30/18/393673018.db2.gz XAZQHXVOXQYCER-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP CC1=C(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000361110852 393675369 /nfs/dbraw/zinc/67/53/69/393675369.db2.gz ICGNNRSXRIAERB-UHFFFAOYSA-N 2 2 273.405 3.476 20 0 CGADLP CC1=C(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000361110852 393675373 /nfs/dbraw/zinc/67/53/73/393675373.db2.gz ICGNNRSXRIAERB-UHFFFAOYSA-N 2 2 273.405 3.476 20 0 CGADLP CC(C)c1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000439658049 393731664 /nfs/dbraw/zinc/73/16/64/393731664.db2.gz JUDNZGBVTGFGRX-ZFWWWQNUSA-N 2 2 290.455 3.040 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000443427457 393756577 /nfs/dbraw/zinc/75/65/77/393756577.db2.gz GKIXZYRHENQZRM-CABCVRRESA-N 2 2 285.366 3.413 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443427457 393756579 /nfs/dbraw/zinc/75/65/79/393756579.db2.gz GKIXZYRHENQZRM-CABCVRRESA-N 2 2 285.366 3.413 20 0 CGADLP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491434223 393689202 /nfs/dbraw/zinc/68/92/02/393689202.db2.gz RNEJKACLHYECHE-WBVHZDCISA-N 2 2 290.451 3.084 20 0 CGADLP COCC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491434223 393689206 /nfs/dbraw/zinc/68/92/06/393689206.db2.gz RNEJKACLHYECHE-WBVHZDCISA-N 2 2 290.451 3.084 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000361229541 393706265 /nfs/dbraw/zinc/70/62/65/393706265.db2.gz VZCCKHFKOJRWQQ-SFHVURJKSA-N 2 2 299.418 3.045 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000361229541 393706267 /nfs/dbraw/zinc/70/62/67/393706267.db2.gz VZCCKHFKOJRWQQ-SFHVURJKSA-N 2 2 299.418 3.045 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000448031386 393867762 /nfs/dbraw/zinc/86/77/62/393867762.db2.gz UPJAFGMQOIPXHS-UONOGXRCSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000448031386 393867765 /nfs/dbraw/zinc/86/77/65/393867765.db2.gz UPJAFGMQOIPXHS-UONOGXRCSA-N 2 2 282.472 3.043 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CCC1 ZINC000449172614 393875977 /nfs/dbraw/zinc/87/59/77/393875977.db2.gz VXJUTBQHHRIKTE-CABCVRRESA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000449288595 393878003 /nfs/dbraw/zinc/87/80/03/393878003.db2.gz ZMEQTWMQPJFRDH-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000449288595 393878005 /nfs/dbraw/zinc/87/80/05/393878005.db2.gz ZMEQTWMQPJFRDH-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000501453365 393853451 /nfs/dbraw/zinc/85/34/51/393853451.db2.gz SFTJKZDAKCNSOM-YJBOKZPZSA-N 2 2 292.467 3.255 20 0 CGADLP CO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636664 393930501 /nfs/dbraw/zinc/93/05/01/393930501.db2.gz WVODISHRPKRKRW-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636664 393930505 /nfs/dbraw/zinc/93/05/05/393930505.db2.gz WVODISHRPKRKRW-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449759252 393944589 /nfs/dbraw/zinc/94/45/89/393944589.db2.gz JEZSUGFPLIIJSE-HZPDHXFCSA-N 2 2 287.407 3.080 20 0 CGADLP C[C@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450594274 394027697 /nfs/dbraw/zinc/02/76/97/394027697.db2.gz OXDAOZXTJPJCQJ-HOCLYGCPSA-N 2 2 259.397 3.266 20 0 CGADLP C[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450594274 394027700 /nfs/dbraw/zinc/02/77/00/394027700.db2.gz OXDAOZXTJPJCQJ-HOCLYGCPSA-N 2 2 259.397 3.266 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCCC[C@H](C)C1 ZINC000450768699 394035735 /nfs/dbraw/zinc/03/57/35/394035735.db2.gz DGVGMEXQZYYGRG-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCCC[C@H](C)C1 ZINC000450768699 394035737 /nfs/dbraw/zinc/03/57/37/394035737.db2.gz DGVGMEXQZYYGRG-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCCC[C@H](C)C1 ZINC000450768699 394035741 /nfs/dbraw/zinc/03/57/41/394035741.db2.gz DGVGMEXQZYYGRG-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCCC[C@H](C)C1 ZINC000450768699 394035745 /nfs/dbraw/zinc/03/57/45/394035745.db2.gz DGVGMEXQZYYGRG-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000453119205 394177997 /nfs/dbraw/zinc/17/79/97/394177997.db2.gz LYGQVCRLYPCDMR-OAHLLOKOSA-N 2 2 280.460 3.063 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000453084825 394165988 /nfs/dbraw/zinc/16/59/88/394165988.db2.gz WVBNSQARDKNSTE-KRWDZBQOSA-N 2 2 289.467 3.258 20 0 CGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453422908 394242612 /nfs/dbraw/zinc/24/26/12/394242612.db2.gz XPMDFLQBZAGUJX-ZTFGCOKTSA-N 2 2 299.418 3.481 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(F)cc1 ZINC000667514130 542883572 /nfs/dbraw/zinc/88/35/72/542883572.db2.gz XKQBFRRFNBTORC-UHFFFAOYSA-N 2 2 275.371 3.280 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(F)cc1 ZINC000667514130 542883574 /nfs/dbraw/zinc/88/35/74/542883574.db2.gz XKQBFRRFNBTORC-UHFFFAOYSA-N 2 2 275.371 3.280 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)n1C ZINC000667503192 542880843 /nfs/dbraw/zinc/88/08/43/542880843.db2.gz CEAZBIKUJFEWNI-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)n1C ZINC000667503192 542880847 /nfs/dbraw/zinc/88/08/47/542880847.db2.gz CEAZBIKUJFEWNI-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667589826 542895080 /nfs/dbraw/zinc/89/50/80/542895080.db2.gz DQWIFGRHSFKORP-INIZCTEOSA-N 2 2 285.391 3.074 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667589826 542895083 /nfs/dbraw/zinc/89/50/83/542895083.db2.gz DQWIFGRHSFKORP-INIZCTEOSA-N 2 2 285.391 3.074 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)c1 ZINC000667641902 542902785 /nfs/dbraw/zinc/90/27/85/542902785.db2.gz HMZGVJJRANDMMO-UHFFFAOYSA-N 2 2 299.418 3.496 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658676 542909255 /nfs/dbraw/zinc/90/92/55/542909255.db2.gz NARKWVZQBOTWMM-UKRRQHHQSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658676 542909258 /nfs/dbraw/zinc/90/92/58/542909258.db2.gz NARKWVZQBOTWMM-UKRRQHHQSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000667879191 542941085 /nfs/dbraw/zinc/94/10/85/542941085.db2.gz LCLCBRLXJCPBFT-OWQGQXMQSA-N 2 2 297.402 3.090 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc21 ZINC000667947399 542948387 /nfs/dbraw/zinc/94/83/87/542948387.db2.gz OSCSLJMBIPEROV-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc21 ZINC000667947399 542948390 /nfs/dbraw/zinc/94/83/90/542948390.db2.gz OSCSLJMBIPEROV-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc21 ZINC000667947399 542948392 /nfs/dbraw/zinc/94/83/92/542948392.db2.gz OSCSLJMBIPEROV-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc21 ZINC000667947399 542948395 /nfs/dbraw/zinc/94/83/95/542948395.db2.gz OSCSLJMBIPEROV-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)n1C ZINC000667971272 542952024 /nfs/dbraw/zinc/95/20/24/542952024.db2.gz JBNGQJNZIAZDDD-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)n1C ZINC000667971272 542952028 /nfs/dbraw/zinc/95/20/28/542952028.db2.gz JBNGQJNZIAZDDD-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172459 542980202 /nfs/dbraw/zinc/98/02/02/542980202.db2.gz OIVNVZHLVCGWKO-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172459 542980206 /nfs/dbraw/zinc/98/02/06/542980206.db2.gz OIVNVZHLVCGWKO-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172459 542980210 /nfs/dbraw/zinc/98/02/10/542980210.db2.gz OIVNVZHLVCGWKO-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172459 542980211 /nfs/dbraw/zinc/98/02/11/542980211.db2.gz OIVNVZHLVCGWKO-APWZRJJASA-N 2 2 297.446 3.392 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC(C3CCC3)CC2)[nH+]1 ZINC000668492239 543020153 /nfs/dbraw/zinc/02/01/53/543020153.db2.gz GOGHEMHOUNLGMM-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP COc1ccc2c(c1)CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000668604895 543034787 /nfs/dbraw/zinc/03/47/87/543034787.db2.gz WFHAFXCSJWPZEW-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262651 543145995 /nfs/dbraw/zinc/14/59/95/543145995.db2.gz WTDJSDYLEYEWTA-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262651 543145997 /nfs/dbraw/zinc/14/59/97/543145997.db2.gz WTDJSDYLEYEWTA-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302919 543168176 /nfs/dbraw/zinc/16/81/76/543168176.db2.gz PRIBODVUWSFFOQ-ZDUSSCGKSA-N 2 2 289.448 3.392 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000671304696 543168859 /nfs/dbraw/zinc/16/88/59/543168859.db2.gz ABQKNJBVWNCRSS-MRXNPFEDSA-N 2 2 266.473 3.475 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000671304696 543168861 /nfs/dbraw/zinc/16/88/61/543168861.db2.gz ABQKNJBVWNCRSS-MRXNPFEDSA-N 2 2 266.473 3.475 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730706 543182736 /nfs/dbraw/zinc/18/27/36/543182736.db2.gz DYKZQUXTIUPAMH-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730706 543182738 /nfs/dbraw/zinc/18/27/38/543182738.db2.gz DYKZQUXTIUPAMH-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674304087 543280364 /nfs/dbraw/zinc/28/03/64/543280364.db2.gz QATYYDGBEOLXPB-GDBMZVCRSA-N 2 2 285.391 3.290 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674304087 543280366 /nfs/dbraw/zinc/28/03/66/543280366.db2.gz QATYYDGBEOLXPB-GDBMZVCRSA-N 2 2 285.391 3.290 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877515 543302554 /nfs/dbraw/zinc/30/25/54/543302554.db2.gz VEUSAAPTGMIXSO-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877515 543302557 /nfs/dbraw/zinc/30/25/57/543302557.db2.gz VEUSAAPTGMIXSO-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP COC1([C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)CCCC1 ZINC000421800299 292145094 /nfs/dbraw/zinc/14/50/94/292145094.db2.gz HEIAXUSNBHTHSG-HNNXBMFYSA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766707 543362462 /nfs/dbraw/zinc/36/24/62/543362462.db2.gz NZCHRBODUAQJMD-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766707 543362464 /nfs/dbraw/zinc/36/24/64/543362464.db2.gz NZCHRBODUAQJMD-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675833680 543368381 /nfs/dbraw/zinc/36/83/81/543368381.db2.gz MVZURHXCHJGRHA-GUYCJALGSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675833680 543368383 /nfs/dbraw/zinc/36/83/83/543368383.db2.gz MVZURHXCHJGRHA-GUYCJALGSA-N 2 2 290.838 3.401 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000675893200 543370790 /nfs/dbraw/zinc/37/07/90/543370790.db2.gz ANHJXTQYLHDHBG-INMHGKMJSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000675893200 543370792 /nfs/dbraw/zinc/37/07/92/543370792.db2.gz ANHJXTQYLHDHBG-INMHGKMJSA-N 2 2 272.436 3.313 20 0 CGADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000675921158 543373680 /nfs/dbraw/zinc/37/36/80/543373680.db2.gz VYKSRJYSZSBWCR-DLBZAZTESA-N 2 2 283.419 3.482 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235224 543498316 /nfs/dbraw/zinc/49/83/16/543498316.db2.gz PNPFMDYYTXGRSF-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235224 543498318 /nfs/dbraw/zinc/49/83/18/543498318.db2.gz PNPFMDYYTXGRSF-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP CC1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000678594471 543540416 /nfs/dbraw/zinc/54/04/16/543540416.db2.gz GRIHWMIUQMFATF-BDVYOWHSSA-N 2 2 272.436 3.428 20 0 CGADLP CC1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000678594471 543540419 /nfs/dbraw/zinc/54/04/19/543540419.db2.gz GRIHWMIUQMFATF-BDVYOWHSSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000678602258 543541597 /nfs/dbraw/zinc/54/15/97/543541597.db2.gz BQIRVMNFUXGRHS-HOCLYGCPSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000678602258 543541601 /nfs/dbraw/zinc/54/16/01/543541601.db2.gz BQIRVMNFUXGRHS-HOCLYGCPSA-N 2 2 252.446 3.418 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000678928414 543573135 /nfs/dbraw/zinc/57/31/35/543573135.db2.gz OQFLAOFQVKDWJX-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1(C)C ZINC000678928414 543573138 /nfs/dbraw/zinc/57/31/38/543573138.db2.gz OQFLAOFQVKDWJX-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422953026 292374008 /nfs/dbraw/zinc/37/40/08/292374008.db2.gz DTSLWPKGDFJHEM-KURKYZTESA-N 2 2 294.398 3.471 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017595 543583172 /nfs/dbraw/zinc/58/31/72/543583172.db2.gz XETFPJXCGCXMCW-BBRMVZONSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017595 543583174 /nfs/dbraw/zinc/58/31/74/543583174.db2.gz XETFPJXCGCXMCW-BBRMVZONSA-N 2 2 276.399 3.135 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751718 286920911 /nfs/dbraw/zinc/92/09/11/286920911.db2.gz ABXXVUQIFNBNQS-COLVAYQJSA-N 2 2 268.351 3.146 20 0 CGADLP Cc1ncsc1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000080519078 165157039 /nfs/dbraw/zinc/15/70/39/165157039.db2.gz IVWWQXNEKWWSEV-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000089142168 165200042 /nfs/dbraw/zinc/20/00/42/165200042.db2.gz LGDYMQQHQFXAAM-GDBMZVCRSA-N 2 2 288.439 3.001 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090804113 165244430 /nfs/dbraw/zinc/24/44/30/165244430.db2.gz KJCNSKAZLLZMCN-GXSJLCMTSA-N 2 2 273.302 3.030 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000090858063 165247487 /nfs/dbraw/zinc/24/74/87/165247487.db2.gz BGBQZJIPPSYNKH-BMGDILEWSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cn1 ZINC000092196154 165285303 /nfs/dbraw/zinc/28/53/03/165285303.db2.gz CFJLVVKWCAFTFZ-GFCCVEGCSA-N 2 2 279.403 3.134 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000092195044 165286031 /nfs/dbraw/zinc/28/60/31/165286031.db2.gz QKQMYDCLEOWSSO-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cn1 ZINC000092195044 165286034 /nfs/dbraw/zinc/28/60/34/165286034.db2.gz QKQMYDCLEOWSSO-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Br ZINC000093465477 165331448 /nfs/dbraw/zinc/33/14/48/165331448.db2.gz RJELQCQNHVBHDR-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338981 165350704 /nfs/dbraw/zinc/35/07/04/165350704.db2.gz NHFZEEBBHDIIDE-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338981 165350706 /nfs/dbraw/zinc/35/07/06/165350706.db2.gz NHFZEEBBHDIIDE-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644591 287118110 /nfs/dbraw/zinc/11/81/10/287118110.db2.gz IQUABCUQOYRSTH-ROHVMALMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)cc2)CC[N@H+]1C ZINC000093644591 287118113 /nfs/dbraw/zinc/11/81/13/287118113.db2.gz IQUABCUQOYRSTH-ROHVMALMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(F)cc2)CC[NH+]1C ZINC000093644591 287118116 /nfs/dbraw/zinc/11/81/16/287118116.db2.gz IQUABCUQOYRSTH-ROHVMALMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)cc2)CC[NH+]1C ZINC000093644591 287118118 /nfs/dbraw/zinc/11/81/18/287118118.db2.gz IQUABCUQOYRSTH-ROHVMALMSA-N 2 2 276.399 3.253 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000151117005 165458672 /nfs/dbraw/zinc/45/86/72/165458672.db2.gz VCNNDSVAOZKGNR-INIZCTEOSA-N 2 2 273.380 3.023 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093693779 287118934 /nfs/dbraw/zinc/11/89/34/287118934.db2.gz GCUKPQMQFLICKO-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093693779 287118935 /nfs/dbraw/zinc/11/89/35/287118935.db2.gz GCUKPQMQFLICKO-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cscn1 ZINC000536625755 288489411 /nfs/dbraw/zinc/48/94/11/288489411.db2.gz OXXGOJIHYQTNET-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000249615672 165795184 /nfs/dbraw/zinc/79/51/84/165795184.db2.gz PBEWCDWHWJAKIF-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000249615672 165795188 /nfs/dbraw/zinc/79/51/88/165795188.db2.gz PBEWCDWHWJAKIF-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253132521 165809481 /nfs/dbraw/zinc/80/94/81/165809481.db2.gz XKQLMEGQACQDCL-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000253132521 165809485 /nfs/dbraw/zinc/80/94/85/165809485.db2.gz XKQLMEGQACQDCL-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261952961 165844690 /nfs/dbraw/zinc/84/46/90/165844690.db2.gz GFXKGHFMUSNRJI-CQSZACIVSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261952961 165844693 /nfs/dbraw/zinc/84/46/93/165844693.db2.gz GFXKGHFMUSNRJI-CQSZACIVSA-N 2 2 287.234 3.425 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000116387254 287157289 /nfs/dbraw/zinc/15/72/89/287157289.db2.gz QFZMGOCZTKAFSY-QGZVFWFLSA-N 2 2 271.408 3.274 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000562519467 289710393 /nfs/dbraw/zinc/71/03/93/289710393.db2.gz LHROXSSJKBWCJL-BZUAXINKSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000123012714 287214959 /nfs/dbraw/zinc/21/49/59/287214959.db2.gz VWGDSVQJTYZLNH-KCQAQPDRSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000123012714 287214961 /nfs/dbraw/zinc/21/49/61/287214961.db2.gz VWGDSVQJTYZLNH-KCQAQPDRSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000020126814 171010998 /nfs/dbraw/zinc/01/09/98/171010998.db2.gz NXPFFRCPBZLVSD-GFCCVEGCSA-N 2 2 252.789 3.086 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000020506081 171228288 /nfs/dbraw/zinc/22/82/88/171228288.db2.gz FPGYNRFCBOFUBJ-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020546472 171243976 /nfs/dbraw/zinc/24/39/76/171243976.db2.gz NYAOMWGZFKMBDF-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000020556366 171249910 /nfs/dbraw/zinc/24/99/10/171249910.db2.gz LEWKJGAXKRRNRR-OAHLLOKOSA-N 2 2 266.816 3.477 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC3CCCC3)cc2)c[nH+]1 ZINC000035253178 172082795 /nfs/dbraw/zinc/08/27/95/172082795.db2.gz UTAOQZWQNNOAPL-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000126704633 287271327 /nfs/dbraw/zinc/27/13/27/287271327.db2.gz JXLZADUKWMZVDL-LBTNJELSSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126704633 287271329 /nfs/dbraw/zinc/27/13/29/287271329.db2.gz JXLZADUKWMZVDL-LBTNJELSSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@H]([NH3+])C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000037390870 173173462 /nfs/dbraw/zinc/17/34/62/173173462.db2.gz DHBQPTRGHHYJFB-HNNXBMFYSA-N 2 2 254.377 3.036 20 0 CGADLP c1ccc(C2CCC([N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000038086858 174097790 /nfs/dbraw/zinc/09/77/90/174097790.db2.gz YNSSELPCSMMESO-UHFFFAOYSA-N 2 2 258.409 3.008 20 0 CGADLP c1ccc(C2CCC([N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000038086858 174097792 /nfs/dbraw/zinc/09/77/92/174097792.db2.gz YNSSELPCSMMESO-UHFFFAOYSA-N 2 2 258.409 3.008 20 0 CGADLP CCCCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040506681 174301931 /nfs/dbraw/zinc/30/19/31/174301931.db2.gz VJUYAULFPQZACO-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326206 175007394 /nfs/dbraw/zinc/00/73/94/175007394.db2.gz JSQMSSHSUNUXLM-ZIAGYGMSSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H](CC[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000043533326 175062229 /nfs/dbraw/zinc/06/22/29/175062229.db2.gz FFQWKEDMOOYBDU-HNNXBMFYSA-N 2 2 257.381 3.057 20 0 CGADLP CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314711 176121274 /nfs/dbraw/zinc/12/12/74/176121274.db2.gz GBSJKVNBMYQVHO-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071314711 176121276 /nfs/dbraw/zinc/12/12/76/176121276.db2.gz GBSJKVNBMYQVHO-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP c1c[nH+]c(-c2ccc(OCCC[NH+]3CCCCC3)cc2)[nH]1 ZINC000072177121 176334145 /nfs/dbraw/zinc/33/41/45/176334145.db2.gz FHBHXTHCXKMLDG-UHFFFAOYSA-N 2 2 285.391 3.332 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129627347 287336498 /nfs/dbraw/zinc/33/64/98/287336498.db2.gz LAIKXTXVJIDIRB-RYUDHWBXSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000129627347 287336501 /nfs/dbraw/zinc/33/65/01/287336501.db2.gz LAIKXTXVJIDIRB-RYUDHWBXSA-N 2 2 278.362 3.181 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000679365040 543629575 /nfs/dbraw/zinc/62/95/75/543629575.db2.gz XMXIRHICEZWKBS-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000679365040 543629577 /nfs/dbraw/zinc/62/95/77/543629577.db2.gz XMXIRHICEZWKBS-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000679365040 543629581 /nfs/dbraw/zinc/62/95/81/543629581.db2.gz XMXIRHICEZWKBS-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000679365040 543629585 /nfs/dbraw/zinc/62/95/85/543629585.db2.gz XMXIRHICEZWKBS-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP C[C@H](CCNc1cc[nH+]c(C(C)(C)C)n1)[NH+]1CCCCC1 ZINC000680072068 543683311 /nfs/dbraw/zinc/68/33/11/543683311.db2.gz AVFMJLSHUVBSKS-CQSZACIVSA-N 2 2 290.455 3.451 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)[nH]1 ZINC000679982888 543671827 /nfs/dbraw/zinc/67/18/27/543671827.db2.gz DEWSCHABIYQECU-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)[nH]1 ZINC000679982888 543671829 /nfs/dbraw/zinc/67/18/29/543671829.db2.gz DEWSCHABIYQECU-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000130392284 287354051 /nfs/dbraw/zinc/35/40/51/287354051.db2.gz ZXNNDMUSNLPETF-HZPDHXFCSA-N 2 2 263.429 3.468 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130402865 287354461 /nfs/dbraw/zinc/35/44/61/287354461.db2.gz UVSYHUVMGGRCLY-MRXNPFEDSA-N 2 2 275.371 3.495 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130402865 287354464 /nfs/dbraw/zinc/35/44/64/287354464.db2.gz UVSYHUVMGGRCLY-MRXNPFEDSA-N 2 2 275.371 3.495 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000681405956 543786212 /nfs/dbraw/zinc/78/62/12/543786212.db2.gz MUHRJQMRCWERAY-GOSISDBHSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000681405956 543786215 /nfs/dbraw/zinc/78/62/15/543786215.db2.gz MUHRJQMRCWERAY-GOSISDBHSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000681090021 543763966 /nfs/dbraw/zinc/76/39/66/543763966.db2.gz JLMUVDUKIBYGFZ-LJQANCHMSA-N 2 2 286.463 3.426 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000681090021 543763969 /nfs/dbraw/zinc/76/39/69/543763969.db2.gz JLMUVDUKIBYGFZ-LJQANCHMSA-N 2 2 286.463 3.426 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681547836 543793309 /nfs/dbraw/zinc/79/33/09/543793309.db2.gz POYMZROKEKUNFS-MAUKXSAKSA-N 2 2 285.435 3.007 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681547836 543793311 /nfs/dbraw/zinc/79/33/11/543793311.db2.gz POYMZROKEKUNFS-MAUKXSAKSA-N 2 2 285.435 3.007 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681744328 543805166 /nfs/dbraw/zinc/80/51/66/543805166.db2.gz UNXUUYQZEWIIRV-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000681744328 543805168 /nfs/dbraw/zinc/80/51/68/543805168.db2.gz UNXUUYQZEWIIRV-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000681972850 543812795 /nfs/dbraw/zinc/81/27/95/543812795.db2.gz JRSXDIFQSMRWIF-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000681972850 543812797 /nfs/dbraw/zinc/81/27/97/543812797.db2.gz JRSXDIFQSMRWIF-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000681973620 543813061 /nfs/dbraw/zinc/81/30/61/543813061.db2.gz YSRPIIRIEYSZFF-SQNIBIBYSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000681973620 543813063 /nfs/dbraw/zinc/81/30/63/543813063.db2.gz YSRPIIRIEYSZFF-SQNIBIBYSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154184 543830104 /nfs/dbraw/zinc/83/01/04/543830104.db2.gz YNZFYQGEQXOQDV-WMLDXEAASA-N 2 2 287.382 3.463 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154184 543830106 /nfs/dbraw/zinc/83/01/06/543830106.db2.gz YNZFYQGEQXOQDV-WMLDXEAASA-N 2 2 287.382 3.463 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCCCO)[NH+](C)C ZINC000682377997 543838255 /nfs/dbraw/zinc/83/82/55/543838255.db2.gz BZXJXSSLPYVKLY-BQFCYCMXSA-N 2 2 292.467 3.127 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](CCC3CCCC3)C2)cc[nH+]1 ZINC000131720973 287388019 /nfs/dbraw/zinc/38/80/19/287388019.db2.gz DNAREIQJPSMABY-INIZCTEOSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](CCC3CCCC3)C2)cc[nH+]1 ZINC000131720973 287388020 /nfs/dbraw/zinc/38/80/20/287388020.db2.gz DNAREIQJPSMABY-INIZCTEOSA-N 2 2 260.381 3.115 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000683705278 543934081 /nfs/dbraw/zinc/93/40/81/543934081.db2.gz PLAIYPWUTUQYRZ-QAPCUYQASA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000683705278 543934082 /nfs/dbraw/zinc/93/40/82/543934082.db2.gz PLAIYPWUTUQYRZ-QAPCUYQASA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683694468 543932779 /nfs/dbraw/zinc/93/27/79/543932779.db2.gz PSMNWYZMQFMKHN-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683694468 543932783 /nfs/dbraw/zinc/93/27/83/543932783.db2.gz PSMNWYZMQFMKHN-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000683814709 543943513 /nfs/dbraw/zinc/94/35/13/543943513.db2.gz OMUXENFYNKVCAU-DOTOQJQBSA-N 2 2 287.407 3.029 20 0 CGADLP Cc1csc([C@@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000684395354 543992567 /nfs/dbraw/zinc/99/25/67/543992567.db2.gz ARWFLDXKHNCTMO-LBPRGKRZSA-N 2 2 289.448 3.481 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352401 418956700 /nfs/dbraw/zinc/95/67/00/418956700.db2.gz QIBXQNPQUDBIFN-DCGLDWPTSA-N 2 2 291.439 3.094 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352401 418956705 /nfs/dbraw/zinc/95/67/05/418956705.db2.gz QIBXQNPQUDBIFN-DCGLDWPTSA-N 2 2 291.439 3.094 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000653476695 419034067 /nfs/dbraw/zinc/03/40/67/419034067.db2.gz QGMBLPYSBHAFRT-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000653476695 419034069 /nfs/dbraw/zinc/03/40/69/419034069.db2.gz QGMBLPYSBHAFRT-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653558694 419047972 /nfs/dbraw/zinc/04/79/72/419047972.db2.gz PEQSBVIWJOGJAT-CYBMUJFWSA-N 2 2 287.382 3.111 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc(C)c1F ZINC000151160571 287507919 /nfs/dbraw/zinc/50/79/19/287507919.db2.gz QGSYXFXCOXTZHT-CQSZACIVSA-N 2 2 275.371 3.380 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665252635 419093960 /nfs/dbraw/zinc/09/39/60/419093960.db2.gz VAODSDZISBOWLA-ATZDWAIDSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1Cl ZINC000665277037 419099368 /nfs/dbraw/zinc/09/93/68/419099368.db2.gz RLVRJZOZCAWEFY-IPWFMCSPSA-N 2 2 285.218 3.396 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000665294231 419107213 /nfs/dbraw/zinc/10/72/13/419107213.db2.gz KUVYXZDXGQGRHZ-HUUCEWRRSA-N 2 2 278.440 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660237809 419107449 /nfs/dbraw/zinc/10/74/49/419107449.db2.gz HQMHIXUQIFUIMR-IJEWVQPXSA-N 2 2 285.391 3.090 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000665296341 419108982 /nfs/dbraw/zinc/10/89/82/419108982.db2.gz RHBFUULCOIJWSF-RISCZKNCSA-N 2 2 274.433 3.476 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000665297419 419110309 /nfs/dbraw/zinc/11/03/09/419110309.db2.gz FPAJGRUDTBUVJK-YOEHRIQHSA-N 2 2 260.425 3.424 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000665297746 419111145 /nfs/dbraw/zinc/11/11/45/419111145.db2.gz LBMNYIGGJUTQOL-IINYFYTJSA-N 2 2 272.795 3.374 20 0 CGADLP COc1c(C)cccc1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000655832356 419111576 /nfs/dbraw/zinc/11/15/76/419111576.db2.gz UJMMTYBPQUSVBO-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000655848647 419118001 /nfs/dbraw/zinc/11/80/01/419118001.db2.gz JOYLJWBFBSGLML-IAOVAPTHSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000655848647 419118004 /nfs/dbraw/zinc/11/80/04/419118004.db2.gz JOYLJWBFBSGLML-IAOVAPTHSA-N 2 2 276.399 3.493 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848721 419118664 /nfs/dbraw/zinc/11/86/64/419118664.db2.gz JZEAEKPOJJNNAT-UAGQMJEPSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848721 419118666 /nfs/dbraw/zinc/11/86/66/419118666.db2.gz JZEAEKPOJJNNAT-UAGQMJEPSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655850843 419119664 /nfs/dbraw/zinc/11/96/64/419119664.db2.gz ZGVAPNSHSNUCQC-QGTPRVQTSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655850843 419119668 /nfs/dbraw/zinc/11/96/68/419119668.db2.gz ZGVAPNSHSNUCQC-QGTPRVQTSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849747 419119773 /nfs/dbraw/zinc/11/97/73/419119773.db2.gz YJHDTZXXMYXEGS-BHYGNILZSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849747 419119776 /nfs/dbraw/zinc/11/97/76/419119776.db2.gz YJHDTZXXMYXEGS-BHYGNILZSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655855638 419122692 /nfs/dbraw/zinc/12/26/92/419122692.db2.gz FQJOSUZTDDPOFU-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655855638 419122696 /nfs/dbraw/zinc/12/26/96/419122696.db2.gz FQJOSUZTDDPOFU-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CO2 ZINC000655855610 419122740 /nfs/dbraw/zinc/12/27/40/419122740.db2.gz IGWANPRBQDYTMZ-QZTJIDSGSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CO2 ZINC000655855610 419122742 /nfs/dbraw/zinc/12/27/42/419122742.db2.gz IGWANPRBQDYTMZ-QZTJIDSGSA-N 2 2 298.430 3.069 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000655680963 419063274 /nfs/dbraw/zinc/06/32/74/419063274.db2.gz VRTNXVMEDCTOAY-OIISXLGYSA-N 2 2 292.492 3.033 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000660011430 419063922 /nfs/dbraw/zinc/06/39/22/419063922.db2.gz VQTPSHCCBBNZAR-CQSZACIVSA-N 2 2 297.393 3.193 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000653673314 419068913 /nfs/dbraw/zinc/06/89/13/419068913.db2.gz SDJMJQZLEMQLJG-HOCLYGCPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C1CC1 ZINC000653673314 419068918 /nfs/dbraw/zinc/06/89/18/419068918.db2.gz SDJMJQZLEMQLJG-HOCLYGCPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CS1 ZINC000655696234 419069167 /nfs/dbraw/zinc/06/91/67/419069167.db2.gz DNHGSDRAUREOKR-PVAVHDDUSA-N 2 2 292.492 3.033 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000655706227 419071367 /nfs/dbraw/zinc/07/13/67/419071367.db2.gz JFWNFRBZYQPWJR-UKRRQHHQSA-N 2 2 287.432 3.246 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000660096303 419076935 /nfs/dbraw/zinc/07/69/35/419076935.db2.gz ZVLRNMOYPZHBEH-LLVKDONJSA-N 2 2 271.355 3.271 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCCc1c(F)cccc1F ZINC000655942161 419129483 /nfs/dbraw/zinc/12/94/83/419129483.db2.gz JYWRBMLGFKASDK-UHFFFAOYSA-N 2 2 294.389 3.101 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCCc1c(F)cccc1F ZINC000655942161 419129485 /nfs/dbraw/zinc/12/94/85/419129485.db2.gz JYWRBMLGFKASDK-UHFFFAOYSA-N 2 2 294.389 3.101 20 0 CGADLP C1=CCC(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660478291 419150547 /nfs/dbraw/zinc/15/05/47/419150547.db2.gz AVTLJHSRCCYNNE-MRXNPFEDSA-N 2 2 285.435 3.365 20 0 CGADLP C1=CCC(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660478291 419150549 /nfs/dbraw/zinc/15/05/49/419150549.db2.gz AVTLJHSRCCYNNE-MRXNPFEDSA-N 2 2 285.435 3.365 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000660489830 419151714 /nfs/dbraw/zinc/15/17/14/419151714.db2.gz MFFJGTQHRPHGBI-IAGOWNOFSA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000660489830 419151716 /nfs/dbraw/zinc/15/17/16/419151716.db2.gz MFFJGTQHRPHGBI-IAGOWNOFSA-N 2 2 258.409 3.378 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656225682 419154043 /nfs/dbraw/zinc/15/40/43/419154043.db2.gz IWCUVJATDYERFX-GDBMZVCRSA-N 2 2 284.407 3.002 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656225682 419154046 /nfs/dbraw/zinc/15/40/46/419154046.db2.gz IWCUVJATDYERFX-GDBMZVCRSA-N 2 2 284.407 3.002 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000656279626 419164823 /nfs/dbraw/zinc/16/48/23/419164823.db2.gz YGOMJTYTNFOWFE-SJORKVTESA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(C)c1O ZINC000656279626 419164827 /nfs/dbraw/zinc/16/48/27/419164827.db2.gz YGOMJTYTNFOWFE-SJORKVTESA-N 2 2 288.435 3.116 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661079 419175923 /nfs/dbraw/zinc/17/59/23/419175923.db2.gz BPXXZGZXYVNDDF-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661079 419175926 /nfs/dbraw/zinc/17/59/26/419175926.db2.gz BPXXZGZXYVNDDF-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661079 419175927 /nfs/dbraw/zinc/17/59/27/419175927.db2.gz BPXXZGZXYVNDDF-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661079 419175930 /nfs/dbraw/zinc/17/59/30/419175930.db2.gz BPXXZGZXYVNDDF-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655677 419177959 /nfs/dbraw/zinc/17/79/59/419177959.db2.gz PFXRAKXQETWMGO-YOEHRIQHSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655677 419177963 /nfs/dbraw/zinc/17/79/63/419177963.db2.gz PFXRAKXQETWMGO-YOEHRIQHSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655677 419177967 /nfs/dbraw/zinc/17/79/67/419177967.db2.gz PFXRAKXQETWMGO-YOEHRIQHSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655677 419177971 /nfs/dbraw/zinc/17/79/71/419177971.db2.gz PFXRAKXQETWMGO-YOEHRIQHSA-N 2 2 276.399 3.304 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655859685 419125571 /nfs/dbraw/zinc/12/55/71/419125571.db2.gz NWKMJIZKWLGMFQ-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655859685 419125573 /nfs/dbraw/zinc/12/55/73/419125573.db2.gz NWKMJIZKWLGMFQ-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657314489 419248203 /nfs/dbraw/zinc/24/82/03/419248203.db2.gz WOAMBZANRGHFNR-AWEZNQCLSA-N 2 2 299.418 3.467 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)[nH]c2c1 ZINC000657333945 419252996 /nfs/dbraw/zinc/25/29/96/419252996.db2.gz FTMPYCYONWFENY-CQSZACIVSA-N 2 2 282.391 3.099 20 0 CGADLP Cc1cc(C)c(C[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657336527 419253678 /nfs/dbraw/zinc/25/36/78/419253678.db2.gz VURYEINFIXINPZ-UHFFFAOYSA-N 2 2 269.392 3.044 20 0 CGADLP Clc1cccc(CCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657349355 419256834 /nfs/dbraw/zinc/25/68/34/419256834.db2.gz RDWIXHJSBNDOQK-UHFFFAOYSA-N 2 2 289.810 3.205 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657351916 419257247 /nfs/dbraw/zinc/25/72/47/419257247.db2.gz HXBSHAPPZVWQGW-UHFFFAOYSA-N 2 2 283.419 3.205 20 0 CGADLP C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361865 419259203 /nfs/dbraw/zinc/25/92/03/419259203.db2.gz SXOHCEWKYHBLSF-KGLIPLIRSA-N 2 2 261.413 3.135 20 0 CGADLP C[C@H]1CCCC[C@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361863 419259626 /nfs/dbraw/zinc/25/96/26/419259626.db2.gz SXOHCEWKYHBLSF-KBPBESRZSA-N 2 2 261.413 3.135 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657362172 419259991 /nfs/dbraw/zinc/25/99/91/419259991.db2.gz QIDLQLOWAPMNCM-UHFFFAOYSA-N 2 2 281.359 3.174 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CO1 ZINC000657368622 419261480 /nfs/dbraw/zinc/26/14/80/419261480.db2.gz VFQZCVFFUXGTBH-USXIJHARSA-N 2 2 290.451 3.273 20 0 CGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2n1CCC2)c1nc(C)cs1 ZINC000657375205 419262896 /nfs/dbraw/zinc/26/28/96/419262896.db2.gz FGYLJKFHFOYDTO-OAHLLOKOSA-N 2 2 290.436 3.009 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898172 419208530 /nfs/dbraw/zinc/20/85/30/419208530.db2.gz XEUNRGRVJJRBSE-NCOADZHNSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898172 419208533 /nfs/dbraw/zinc/20/85/33/419208533.db2.gz XEUNRGRVJJRBSE-NCOADZHNSA-N 2 2 264.457 3.229 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000657389762 419267842 /nfs/dbraw/zinc/26/78/42/419267842.db2.gz NRRVVNKLOHKZQF-CZUORRHYSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)[nH]c2c1 ZINC000657389762 419267846 /nfs/dbraw/zinc/26/78/46/419267846.db2.gz NRRVVNKLOHKZQF-CZUORRHYSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(OC(F)F)cc1C ZINC000656781970 419218292 /nfs/dbraw/zinc/21/82/92/419218292.db2.gz BDQBLHAEPLIUMT-UHFFFAOYSA-N 2 2 286.366 3.074 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])c(OC(F)F)cc1C ZINC000656781970 419218294 /nfs/dbraw/zinc/21/82/94/419218294.db2.gz BDQBLHAEPLIUMT-UHFFFAOYSA-N 2 2 286.366 3.074 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4cc(N)ccc43)c[nH+]c12 ZINC000656790992 419220448 /nfs/dbraw/zinc/22/04/48/419220448.db2.gz PACLNTQQCZPSKC-QGZVFWFLSA-N 2 2 292.386 3.002 20 0 CGADLP Fc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788566 419220503 /nfs/dbraw/zinc/22/05/03/419220503.db2.gz BOFJMEZBALRJOT-SJLPKXTDSA-N 2 2 284.378 3.061 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccs2)c1 ZINC000656790542 419220781 /nfs/dbraw/zinc/22/07/81/419220781.db2.gz YIKABDXLRAKCIM-HOTGVXAUSA-N 2 2 290.407 3.123 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CCCC1 ZINC000656789158 419221146 /nfs/dbraw/zinc/22/11/46/419221146.db2.gz KSYAJMJJVZYROJ-UHFFFAOYSA-N 2 2 291.197 3.494 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000657391703 419268506 /nfs/dbraw/zinc/26/85/06/419268506.db2.gz XJMPSKVTXKVLDX-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000657390292 419268593 /nfs/dbraw/zinc/26/85/93/419268593.db2.gz WXWKDVGUGUUABX-GDBMZVCRSA-N 2 2 288.435 3.109 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000657390292 419268596 /nfs/dbraw/zinc/26/85/96/419268596.db2.gz WXWKDVGUGUUABX-GDBMZVCRSA-N 2 2 288.435 3.109 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)C1=CCCCC1 ZINC000657438257 419279032 /nfs/dbraw/zinc/27/90/32/419279032.db2.gz YBARFVNMBFMXKK-UHFFFAOYSA-N 2 2 273.424 3.446 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)CCC2 ZINC000657443168 419281043 /nfs/dbraw/zinc/28/10/43/419281043.db2.gz ZTQFFJGUKFYIRM-IAGOWNOFSA-N 2 2 295.430 3.330 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657451310 419281681 /nfs/dbraw/zinc/28/16/81/419281681.db2.gz OLECXZVNOXZDRA-CYBMUJFWSA-N 2 2 261.413 3.278 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000657470900 419285811 /nfs/dbraw/zinc/28/58/11/419285811.db2.gz WDNGCOPWKJPGOP-HNNXBMFYSA-N 2 2 299.418 3.154 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000657470900 419285814 /nfs/dbraw/zinc/28/58/14/419285814.db2.gz WDNGCOPWKJPGOP-HNNXBMFYSA-N 2 2 299.418 3.154 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522317 419297080 /nfs/dbraw/zinc/29/70/80/419297080.db2.gz CXJKLTDGOGWNIB-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000657667320 419323875 /nfs/dbraw/zinc/32/38/75/419323875.db2.gz ZYUSXNMGMNAYHP-KBMXLJTQSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000657667320 419323876 /nfs/dbraw/zinc/32/38/76/419323876.db2.gz ZYUSXNMGMNAYHP-KBMXLJTQSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4ccc(O)cc43)c[nH+]c12 ZINC000657692840 419328492 /nfs/dbraw/zinc/32/84/92/419328492.db2.gz FPHBJOQLLKIRAW-QGZVFWFLSA-N 2 2 293.370 3.125 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCC(F)CC1 ZINC000657742986 419335335 /nfs/dbraw/zinc/33/53/35/419335335.db2.gz DBLBZRZBLWRPLH-IYXRBSQSSA-N 2 2 275.371 3.341 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000657742111 419336020 /nfs/dbraw/zinc/33/60/20/419336020.db2.gz NAIPPAJOWZTYFE-VMEIHUARSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000657742111 419336025 /nfs/dbraw/zinc/33/60/25/419336025.db2.gz NAIPPAJOWZTYFE-VMEIHUARSA-N 2 2 258.409 3.164 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(CC(C)C)CC3)c[nH+]c12 ZINC000657775220 419344064 /nfs/dbraw/zinc/34/40/64/419344064.db2.gz OXFHJPYYPVSELH-UHFFFAOYSA-N 2 2 257.381 3.311 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783244 419347392 /nfs/dbraw/zinc/34/73/92/419347392.db2.gz SVDXTDZBQZKFKM-APWZRJJASA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783244 419347394 /nfs/dbraw/zinc/34/73/94/419347394.db2.gz SVDXTDZBQZKFKM-APWZRJJASA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657878279 419400968 /nfs/dbraw/zinc/40/09/68/419400968.db2.gz FZLZECNTGYPDOG-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000657878279 419400972 /nfs/dbraw/zinc/40/09/72/419400972.db2.gz FZLZECNTGYPDOG-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000657837295 419380476 /nfs/dbraw/zinc/38/04/76/419380476.db2.gz SCARJIWZQKTTLT-JUVOFCAFSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000657837295 419380481 /nfs/dbraw/zinc/38/04/81/419380481.db2.gz SCARJIWZQKTTLT-JUVOFCAFSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@H]1c1ccccc1 ZINC000657937891 419452778 /nfs/dbraw/zinc/45/27/78/419452778.db2.gz VTKRJGJSLZINHF-HZPDHXFCSA-N 2 2 294.389 3.109 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@H]1c1ccccc1 ZINC000657937891 419452786 /nfs/dbraw/zinc/45/27/86/419452786.db2.gz VTKRJGJSLZINHF-HZPDHXFCSA-N 2 2 294.389 3.109 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658062995 419538064 /nfs/dbraw/zinc/53/80/64/419538064.db2.gz UTKGRIFSBZAGIM-BBRMVZONSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658062995 419538068 /nfs/dbraw/zinc/53/80/68/419538068.db2.gz UTKGRIFSBZAGIM-BBRMVZONSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)c1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000663314885 419552509 /nfs/dbraw/zinc/55/25/09/419552509.db2.gz BUFJXPRWKIXAMJ-HNNXBMFYSA-N 2 2 271.408 3.432 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658088627 419558007 /nfs/dbraw/zinc/55/80/07/419558007.db2.gz DWXMGIKTHYVIGC-QWQRMKEZSA-N 2 2 290.426 3.137 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658088627 419558016 /nfs/dbraw/zinc/55/80/16/419558016.db2.gz DWXMGIKTHYVIGC-QWQRMKEZSA-N 2 2 290.426 3.137 20 0 CGADLP CCCCCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663498581 419636224 /nfs/dbraw/zinc/63/62/24/419636224.db2.gz PSPVGPBCRLFSLH-UHFFFAOYSA-N 2 2 288.435 3.097 20 0 CGADLP Fc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346387 419569689 /nfs/dbraw/zinc/56/96/89/419569689.db2.gz MIXQPQCSTFKPGJ-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346387 419569697 /nfs/dbraw/zinc/56/96/97/419569697.db2.gz MIXQPQCSTFKPGJ-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000658097193 419576457 /nfs/dbraw/zinc/57/64/57/419576457.db2.gz VUJNFLMDSQLABP-RRFJBIMHSA-N 2 2 282.472 3.041 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000658097193 419576465 /nfs/dbraw/zinc/57/64/65/419576465.db2.gz VUJNFLMDSQLABP-RRFJBIMHSA-N 2 2 282.472 3.041 20 0 CGADLP CCCC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663443945 419604452 /nfs/dbraw/zinc/60/44/52/419604452.db2.gz GVJUFJIMENHIMS-UHFFFAOYSA-N 2 2 298.434 3.493 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284301 419728021 /nfs/dbraw/zinc/72/80/21/419728021.db2.gz FMPMJXLSTJPWLZ-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284301 419728027 /nfs/dbraw/zinc/72/80/27/419728027.db2.gz FMPMJXLSTJPWLZ-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284308 419729671 /nfs/dbraw/zinc/72/96/71/419729671.db2.gz FMPMJXLSTJPWLZ-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000658284308 419729676 /nfs/dbraw/zinc/72/96/76/419729676.db2.gz FMPMJXLSTJPWLZ-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000658285369 419733080 /nfs/dbraw/zinc/73/30/80/419733080.db2.gz LBSIXORNYBRBGK-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000658285369 419733086 /nfs/dbraw/zinc/73/30/86/419733086.db2.gz LBSIXORNYBRBGK-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000658286953 419734938 /nfs/dbraw/zinc/73/49/38/419734938.db2.gz WQJRLRIDRUDIQU-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000658286953 419734947 /nfs/dbraw/zinc/73/49/47/419734947.db2.gz WQJRLRIDRUDIQU-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658295371 419743502 /nfs/dbraw/zinc/74/35/02/419743502.db2.gz MFRXSMIPZLCUKT-QZTJIDSGSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658295373 419744261 /nfs/dbraw/zinc/74/42/61/419744261.db2.gz MFRXSMIPZLCUKT-ZWKOTPCHSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CC3 ZINC000180394217 260100942 /nfs/dbraw/zinc/10/09/42/260100942.db2.gz LOHCACBQDYDKGQ-HNNXBMFYSA-N 2 2 299.462 3.263 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+](C)C(C)C)CC3 ZINC000180394217 260100944 /nfs/dbraw/zinc/10/09/44/260100944.db2.gz LOHCACBQDYDKGQ-HNNXBMFYSA-N 2 2 299.462 3.263 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000394507386 261189745 /nfs/dbraw/zinc/18/97/45/261189745.db2.gz LLYSLXAWKYJOFU-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000394507386 261189746 /nfs/dbraw/zinc/18/97/46/261189746.db2.gz LLYSLXAWKYJOFU-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000184550573 263111382 /nfs/dbraw/zinc/11/13/82/263111382.db2.gz UZMWEUXXRVRCSB-SJORKVTESA-N 2 2 272.436 3.254 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000189294722 264287202 /nfs/dbraw/zinc/28/72/02/264287202.db2.gz ABNRGZWAHOTICI-INIZCTEOSA-N 2 2 297.446 3.437 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000189294722 264287203 /nfs/dbraw/zinc/28/72/03/264287203.db2.gz ABNRGZWAHOTICI-INIZCTEOSA-N 2 2 297.446 3.437 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000033639208 270027230 /nfs/dbraw/zinc/02/72/30/270027230.db2.gz ZMQUBIRTSLCLRD-YJBOKZPZSA-N 2 2 268.404 3.468 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000035258559 270027572 /nfs/dbraw/zinc/02/75/72/270027572.db2.gz HKXUMGSBALGYSL-ROUUACIJSA-N 2 2 274.452 3.110 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000035258558 270027707 /nfs/dbraw/zinc/02/77/07/270027707.db2.gz HKXUMGSBALGYSL-QZTJIDSGSA-N 2 2 274.452 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(F)c1 ZINC000037197165 270028868 /nfs/dbraw/zinc/02/88/68/270028868.db2.gz SULHWRQVUIEZSZ-LBPRGKRZSA-N 2 2 282.403 3.073 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037295809 270029208 /nfs/dbraw/zinc/02/92/08/270029208.db2.gz WBBNPZYAKRPUQA-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037295809 270029209 /nfs/dbraw/zinc/02/92/09/270029209.db2.gz WBBNPZYAKRPUQA-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041064110 270030247 /nfs/dbraw/zinc/03/02/47/270030247.db2.gz XRKZJACZBNERNL-MRXNPFEDSA-N 2 2 257.381 3.260 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000044300529 270035518 /nfs/dbraw/zinc/03/55/18/270035518.db2.gz MNTZUZCZHHYNLN-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684760 270037208 /nfs/dbraw/zinc/03/72/08/270037208.db2.gz RNAFMIHQMWLUEF-GOEBONIOSA-N 2 2 288.435 3.363 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684760 270037210 /nfs/dbraw/zinc/03/72/10/270037210.db2.gz RNAFMIHQMWLUEF-GOEBONIOSA-N 2 2 288.435 3.363 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000177087011 270053430 /nfs/dbraw/zinc/05/34/30/270053430.db2.gz GZCWQPDAQVYORW-AWEZNQCLSA-N 2 2 259.353 3.130 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000177087011 270053431 /nfs/dbraw/zinc/05/34/31/270053431.db2.gz GZCWQPDAQVYORW-AWEZNQCLSA-N 2 2 259.353 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175597 265351212 /nfs/dbraw/zinc/35/12/12/265351212.db2.gz QQMXOHHDMQKNKR-GHMZBOCLSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175597 265351216 /nfs/dbraw/zinc/35/12/16/265351216.db2.gz QQMXOHHDMQKNKR-GHMZBOCLSA-N 2 2 293.461 3.183 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c1 ZINC000223235297 270086470 /nfs/dbraw/zinc/08/64/70/270086470.db2.gz XBTVIJATDKIBCD-HOTGVXAUSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000223235297 270086471 /nfs/dbraw/zinc/08/64/71/270086471.db2.gz XBTVIJATDKIBCD-HOTGVXAUSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c1 ZINC000223235238 270086534 /nfs/dbraw/zinc/08/65/34/270086534.db2.gz XBTVIJATDKIBCD-CVEARBPZSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000223235238 270086535 /nfs/dbraw/zinc/08/65/35/270086535.db2.gz XBTVIJATDKIBCD-CVEARBPZSA-N 2 2 274.452 3.388 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915584 270094403 /nfs/dbraw/zinc/09/44/03/270094403.db2.gz SYMJVYQEQDHVFP-WBAXXEDZSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915584 270094404 /nfs/dbraw/zinc/09/44/04/270094404.db2.gz SYMJVYQEQDHVFP-WBAXXEDZSA-N 2 2 272.436 3.428 20 0 CGADLP COC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000526107547 270123127 /nfs/dbraw/zinc/12/31/27/270123127.db2.gz DQYJTXKEHXTPRG-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000527695336 270132079 /nfs/dbraw/zinc/13/20/79/270132079.db2.gz BGXCQZKAOPTPJO-LPHOPBHVSA-N 2 2 297.446 3.479 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527845832 270139630 /nfs/dbraw/zinc/13/96/30/270139630.db2.gz JSCFYMCUEIOPNC-JSGCOSHPSA-N 2 2 269.392 3.123 20 0 CGADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945472 270146208 /nfs/dbraw/zinc/14/62/08/270146208.db2.gz GMLVPKYDOYFQPF-MRXNPFEDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527945472 270146209 /nfs/dbraw/zinc/14/62/09/270146209.db2.gz GMLVPKYDOYFQPF-MRXNPFEDSA-N 2 2 262.441 3.172 20 0 CGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)nc1 ZINC000527964543 270147383 /nfs/dbraw/zinc/14/73/83/270147383.db2.gz LJJXKJXCNGDGSM-GOSISDBHSA-N 2 2 285.435 3.139 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528000097 270149725 /nfs/dbraw/zinc/14/97/25/270149725.db2.gz IQYRKPGMSMDHTI-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528000097 270149726 /nfs/dbraw/zinc/14/97/26/270149726.db2.gz IQYRKPGMSMDHTI-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP C/C(Cl)=C/C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000528479688 270166490 /nfs/dbraw/zinc/16/64/90/270166490.db2.gz CCAPOSZVMVTEOU-PQMHYQBVSA-N 2 2 280.799 3.376 20 0 CGADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529638793 270186657 /nfs/dbraw/zinc/18/66/57/270186657.db2.gz BFPHUHJQSROQLJ-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529638793 270186658 /nfs/dbraw/zinc/18/66/58/270186658.db2.gz BFPHUHJQSROQLJ-MRXNPFEDSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CC(Cc2ccco2)C1 ZINC000529648431 270187050 /nfs/dbraw/zinc/18/70/50/270187050.db2.gz CWFJSVGOHQGTIJ-UHFFFAOYSA-N 2 2 270.376 3.090 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530223539 270196445 /nfs/dbraw/zinc/19/64/45/270196445.db2.gz SQWSJXSWNDBRFE-HUUCEWRRSA-N 2 2 276.811 3.202 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530222186 270196690 /nfs/dbraw/zinc/19/66/90/270196690.db2.gz QVUGSHDOSZYLBG-GOEBONIOSA-N 2 2 258.409 3.239 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000531684659 270208444 /nfs/dbraw/zinc/20/84/44/270208444.db2.gz BBHASWXDOKFFDW-LBPRGKRZSA-N 2 2 292.452 3.341 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000531738819 270209303 /nfs/dbraw/zinc/20/93/03/270209303.db2.gz YDKCIVZHGNDJTL-GUTXKFCHSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000531738819 270209304 /nfs/dbraw/zinc/20/93/04/270209304.db2.gz YDKCIVZHGNDJTL-GUTXKFCHSA-N 2 2 296.842 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941238 270210902 /nfs/dbraw/zinc/21/09/02/270210902.db2.gz VJXGXPRDNZUTRB-RHSMWYFYSA-N 2 2 274.452 3.066 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941238 270210903 /nfs/dbraw/zinc/21/09/03/270210903.db2.gz VJXGXPRDNZUTRB-RHSMWYFYSA-N 2 2 274.452 3.066 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937935 270211111 /nfs/dbraw/zinc/21/11/11/270211111.db2.gz WVBVAWIHGKWEBL-PBHICJAKSA-N 2 2 290.426 3.177 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937935 270211112 /nfs/dbraw/zinc/21/11/12/270211112.db2.gz WVBVAWIHGKWEBL-PBHICJAKSA-N 2 2 290.426 3.177 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979029 270211838 /nfs/dbraw/zinc/21/18/38/270211838.db2.gz WYQSNEWUXUFXTC-LSDHHAIUSA-N 2 2 292.492 3.490 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979029 270211839 /nfs/dbraw/zinc/21/18/39/270211839.db2.gz WYQSNEWUXUFXTC-LSDHHAIUSA-N 2 2 292.492 3.490 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532501296 270216353 /nfs/dbraw/zinc/21/63/53/270216353.db2.gz UOYNQBRLKXLPMP-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532501111 270216406 /nfs/dbraw/zinc/21/64/06/270216406.db2.gz HHEFJYQMXLAGHC-IIAWOOMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532501111 270216407 /nfs/dbraw/zinc/21/64/07/270216407.db2.gz HHEFJYQMXLAGHC-IIAWOOMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532531784 270217185 /nfs/dbraw/zinc/21/71/85/270217185.db2.gz IKTLERPTSFYIGE-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532531784 270217186 /nfs/dbraw/zinc/21/71/86/270217186.db2.gz IKTLERPTSFYIGE-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000087816343 275072721 /nfs/dbraw/zinc/07/27/21/275072721.db2.gz OQYPETPKIFTGPB-MRXNPFEDSA-N 2 2 280.375 3.032 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000420354418 275853000 /nfs/dbraw/zinc/85/30/00/275853000.db2.gz CXMYOBUHWSUVSC-ZDUSSCGKSA-N 2 2 287.234 3.471 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376759917 275910123 /nfs/dbraw/zinc/91/01/23/275910123.db2.gz XIKBPOUMHSPATQ-ZBFHGGJFSA-N 2 2 273.424 3.301 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000480082317 276174456 /nfs/dbraw/zinc/17/44/56/276174456.db2.gz CZFMCGGYKSCZLU-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000480082317 276174458 /nfs/dbraw/zinc/17/44/58/276174458.db2.gz CZFMCGGYKSCZLU-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467545830 276181417 /nfs/dbraw/zinc/18/14/17/276181417.db2.gz HOWHUMYMDGAQEP-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019960619 276187590 /nfs/dbraw/zinc/18/75/90/276187590.db2.gz YLPIVZAUKAWSAF-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019960619 276187591 /nfs/dbraw/zinc/18/75/91/276187591.db2.gz YLPIVZAUKAWSAF-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158844 276251507 /nfs/dbraw/zinc/25/15/07/276251507.db2.gz JFRIHLBEIRZQII-DOTOQJQBSA-N 2 2 272.436 3.038 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158844 276251508 /nfs/dbraw/zinc/25/15/08/276251508.db2.gz JFRIHLBEIRZQII-DOTOQJQBSA-N 2 2 272.436 3.038 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276466 276373832 /nfs/dbraw/zinc/37/38/32/276373832.db2.gz MWXIONTZFKWRQZ-QMTHXVAHSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1Cl ZINC000423419120 276640123 /nfs/dbraw/zinc/64/01/23/276640123.db2.gz ALWZXFBUNLNYKJ-UZGDPCLZSA-N 2 2 285.218 3.252 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279502 277084208 /nfs/dbraw/zinc/08/42/08/277084208.db2.gz LSSLNBZXHJBLEM-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279502 277084210 /nfs/dbraw/zinc/08/42/10/277084210.db2.gz LSSLNBZXHJBLEM-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279502 277084211 /nfs/dbraw/zinc/08/42/11/277084211.db2.gz LSSLNBZXHJBLEM-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279502 277084213 /nfs/dbraw/zinc/08/42/13/277084213.db2.gz LSSLNBZXHJBLEM-HKUYNNGSSA-N 2 2 295.430 3.151 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000344112195 277478230 /nfs/dbraw/zinc/47/82/30/277478230.db2.gz KSLDILSBDYTUFE-CVEARBPZSA-N 2 2 296.499 3.292 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423238780 277499907 /nfs/dbraw/zinc/49/99/07/277499907.db2.gz JITGMGYUIYVBME-WMLDXEAASA-N 2 2 278.440 3.215 20 0 CGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435392 277640107 /nfs/dbraw/zinc/64/01/07/277640107.db2.gz BRZKVORIGGHXSY-RDTXWAMCSA-N 2 2 299.418 3.085 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000395313103 288008269 /nfs/dbraw/zinc/00/82/69/288008269.db2.gz YXSLFLBZDAODHE-MRXNPFEDSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395313103 288008270 /nfs/dbraw/zinc/00/82/70/288008270.db2.gz YXSLFLBZDAODHE-MRXNPFEDSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186319636 278271568 /nfs/dbraw/zinc/27/15/68/278271568.db2.gz XRGGNFNCRGNDBD-IMJJTQAJSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000400714417 278275679 /nfs/dbraw/zinc/27/56/79/278275679.db2.gz FIVAKQOOXTUFSE-LEWSCRJBSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348287946 278297077 /nfs/dbraw/zinc/29/70/77/278297077.db2.gz IVQBSJIVZWGVGG-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463246536 278354020 /nfs/dbraw/zinc/35/40/20/278354020.db2.gz IYKPGUSFQDFPIZ-STQMWFEESA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414192049 278376927 /nfs/dbraw/zinc/37/69/27/278376927.db2.gz LUWUFRXVJBYHBK-HWWQOWPSSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414192049 278376928 /nfs/dbraw/zinc/37/69/28/278376928.db2.gz LUWUFRXVJBYHBK-HWWQOWPSSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000221803952 278580168 /nfs/dbraw/zinc/58/01/68/278580168.db2.gz AMYPFEFPARGSFG-INMHGKMJSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195876 278614700 /nfs/dbraw/zinc/61/47/00/278614700.db2.gz UDAYEKJJOZTWCQ-STQMWFEESA-N 2 2 258.365 3.144 20 0 CGADLP CC(C)CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000021036775 278768904 /nfs/dbraw/zinc/76/89/04/278768904.db2.gz CAYZVVBJTPJBQG-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)on2)c1 ZINC000459383872 288086435 /nfs/dbraw/zinc/08/64/35/288086435.db2.gz GDBNFUADMKDJOQ-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccsc21 ZINC000286237760 278970256 /nfs/dbraw/zinc/97/02/56/278970256.db2.gz FCKQLFHRNAICNQ-OLZOCXBDSA-N 2 2 287.432 3.359 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000294096079 279147744 /nfs/dbraw/zinc/14/77/44/279147744.db2.gz MIDGHMBPCOZOTE-IRXDYDNUSA-N 2 2 298.434 3.001 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)[NH+]1CCCC1 ZINC000480817571 288109703 /nfs/dbraw/zinc/10/97/03/288109703.db2.gz MDPMXPPBPNDSLG-KYJSFNMBSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C[NH+](C)C ZINC000348287947 279378192 /nfs/dbraw/zinc/37/81/92/279378192.db2.gz IVQBSJIVZWGVGG-VXGBXAGGSA-N 2 2 288.357 3.176 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(Cl)c1 ZINC000335275008 279550493 /nfs/dbraw/zinc/55/04/93/279550493.db2.gz JJTOYPYTXGTFTJ-ONGXEEELSA-N 2 2 281.812 3.264 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC000367854440 280115694 /nfs/dbraw/zinc/11/56/94/280115694.db2.gz AWNZTDBKIQBTJF-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC000367854440 280115695 /nfs/dbraw/zinc/11/56/95/280115695.db2.gz AWNZTDBKIQBTJF-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCC1 ZINC000192654977 280145976 /nfs/dbraw/zinc/14/59/76/280145976.db2.gz TZHJYENBEIAQNA-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000430696617 280329753 /nfs/dbraw/zinc/32/97/53/280329753.db2.gz QJEMMWVJIQMRIY-TTZDDIAXSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000430696617 280329754 /nfs/dbraw/zinc/32/97/54/280329754.db2.gz QJEMMWVJIQMRIY-TTZDDIAXSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC(F)(F)C1 ZINC000529539163 288260679 /nfs/dbraw/zinc/26/06/79/288260679.db2.gz TXAKCWQOBYJWDF-QWHCGFSZSA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000356883537 280988149 /nfs/dbraw/zinc/98/81/49/280988149.db2.gz VVLLIZUTIHGAEY-NXHRZFHOSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000532200783 288355280 /nfs/dbraw/zinc/35/52/80/288355280.db2.gz HFGSYXVYFXBSEG-BARDWOONSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000532200783 288355281 /nfs/dbraw/zinc/35/52/81/288355281.db2.gz HFGSYXVYFXBSEG-BARDWOONSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000532240384 288357789 /nfs/dbraw/zinc/35/77/89/288357789.db2.gz OCQIMSBXSKGNMB-VQIMIIECSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000532240384 288357791 /nfs/dbraw/zinc/35/77/91/288357791.db2.gz OCQIMSBXSKGNMB-VQIMIIECSA-N 2 2 286.463 3.248 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455422 288362093 /nfs/dbraw/zinc/36/20/93/288362093.db2.gz KCRRTZHMSKSBPX-IWCVFHTOSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455422 288362096 /nfs/dbraw/zinc/36/20/96/288362096.db2.gz KCRRTZHMSKSBPX-IWCVFHTOSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1COCC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442880654 288370725 /nfs/dbraw/zinc/37/07/25/288370725.db2.gz XREFQQLVDITGBP-IAGOWNOFSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CC(C)(C)C3)n2c1 ZINC000548699887 289016153 /nfs/dbraw/zinc/01/61/53/289016153.db2.gz LBFCOZMMXWNDBU-UHFFFAOYSA-N 2 2 257.381 3.169 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000549623719 289049133 /nfs/dbraw/zinc/04/91/33/289049133.db2.gz CUNGCZINVKQPPQ-UNEWFSDZSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000549623719 289049137 /nfs/dbraw/zinc/04/91/37/289049137.db2.gz CUNGCZINVKQPPQ-UNEWFSDZSA-N 2 2 264.457 3.416 20 0 CGADLP FCCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000551394053 289114772 /nfs/dbraw/zinc/11/47/72/289114772.db2.gz ZMZRIFBFLOHKOK-UHFFFAOYSA-N 2 2 265.376 3.098 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000552044512 289153807 /nfs/dbraw/zinc/15/38/07/289153807.db2.gz DUFIDNYUIMXGPV-ZDUSSCGKSA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000552044512 289153809 /nfs/dbraw/zinc/15/38/09/289153809.db2.gz DUFIDNYUIMXGPV-ZDUSSCGKSA-N 2 2 284.394 3.216 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000552162097 289169778 /nfs/dbraw/zinc/16/97/78/289169778.db2.gz AHLKCAZAKKGBQW-ARJAWSKDSA-N 2 2 291.345 3.245 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000553877051 289243290 /nfs/dbraw/zinc/24/32/90/289243290.db2.gz HVCZMJVNERBRHJ-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000553877051 289243293 /nfs/dbraw/zinc/24/32/93/289243293.db2.gz HVCZMJVNERBRHJ-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554086715 289256764 /nfs/dbraw/zinc/25/67/64/289256764.db2.gz OEJXVHULQOQTRW-QWRGUYRKSA-N 2 2 274.861 3.262 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209838 289263149 /nfs/dbraw/zinc/26/31/49/289263149.db2.gz RGOCBQYYPKVTLU-WBMJQRKESA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209838 289263150 /nfs/dbraw/zinc/26/31/50/289263150.db2.gz RGOCBQYYPKVTLU-WBMJQRKESA-N 2 2 290.838 3.401 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554348402 289272885 /nfs/dbraw/zinc/27/28/85/289272885.db2.gz AVWMQTZLOUTMNO-IPMKNSEASA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554348402 289272887 /nfs/dbraw/zinc/27/28/87/289272887.db2.gz AVWMQTZLOUTMNO-IPMKNSEASA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554741798 289307518 /nfs/dbraw/zinc/30/75/18/289307518.db2.gz NSXVMTJGRUQXCK-SPUZQDLCSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554741798 289307522 /nfs/dbraw/zinc/30/75/22/289307522.db2.gz NSXVMTJGRUQXCK-SPUZQDLCSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000554883826 289317132 /nfs/dbraw/zinc/31/71/32/289317132.db2.gz BRODBNJLYDPPTQ-UHFFFAOYSA-N 2 2 272.436 3.264 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000554883826 289317136 /nfs/dbraw/zinc/31/71/36/289317136.db2.gz BRODBNJLYDPPTQ-UHFFFAOYSA-N 2 2 272.436 3.264 20 0 CGADLP CC(C)C(C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000556406828 289389856 /nfs/dbraw/zinc/38/98/56/289389856.db2.gz UAHUGGMWYUFEME-IYBDPMFKSA-N 2 2 284.488 3.004 20 0 CGADLP CC(C)C(C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000556406828 289389858 /nfs/dbraw/zinc/38/98/58/289389858.db2.gz UAHUGGMWYUFEME-IYBDPMFKSA-N 2 2 284.488 3.004 20 0 CGADLP CC(C)C(C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000556406826 289389899 /nfs/dbraw/zinc/38/98/99/289389899.db2.gz UAHUGGMWYUFEME-HOTGVXAUSA-N 2 2 284.488 3.004 20 0 CGADLP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000558254306 289482315 /nfs/dbraw/zinc/48/23/15/289482315.db2.gz AYCIJSJBTCCIQR-OGZRUICASA-N 2 2 290.451 3.114 20 0 CGADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000558254300 289482320 /nfs/dbraw/zinc/48/23/20/289482320.db2.gz AYCIJSJBTCCIQR-JFDDCEBESA-N 2 2 290.451 3.114 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423050870 289728693 /nfs/dbraw/zinc/72/86/93/289728693.db2.gz MXZHAEXJRFEMEN-IVMMDQJWSA-N 2 2 292.398 3.160 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814002 290216600 /nfs/dbraw/zinc/21/66/00/290216600.db2.gz YBUWGXQGHFMMOP-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814002 290216601 /nfs/dbraw/zinc/21/66/01/290216601.db2.gz YBUWGXQGHFMMOP-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000019815168 290228531 /nfs/dbraw/zinc/22/85/31/290228531.db2.gz RIGOXUVHHBYMKG-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000019815168 290228533 /nfs/dbraw/zinc/22/85/33/290228533.db2.gz RIGOXUVHHBYMKG-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564216 290245126 /nfs/dbraw/zinc/24/51/26/290245126.db2.gz XPDJPKKIOOWUGI-RISCZKNCSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261564216 290245133 /nfs/dbraw/zinc/24/51/33/290245133.db2.gz XPDJPKKIOOWUGI-RISCZKNCSA-N 2 2 297.240 3.181 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256258 293197600 /nfs/dbraw/zinc/19/76/00/293197600.db2.gz ALZQENWNJHQOPS-NSHDSACASA-N 2 2 295.496 3.494 20 0 CGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000423443818 293293399 /nfs/dbraw/zinc/29/33/99/293293399.db2.gz XLNMIONQVWRAGJ-MAUKXSAKSA-N 2 2 290.451 3.229 20 0 CGADLP Clc1ccc(SCC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435236713 294106397 /nfs/dbraw/zinc/10/63/97/294106397.db2.gz UOHRWVVPSRLKPS-CQSZACIVSA-N 2 2 296.867 3.258 20 0 CGADLP Clc1ccc(SCC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000435236713 294106400 /nfs/dbraw/zinc/10/64/00/294106400.db2.gz UOHRWVVPSRLKPS-CQSZACIVSA-N 2 2 296.867 3.258 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422985653 295245788 /nfs/dbraw/zinc/24/57/88/295245788.db2.gz FQUBIJZFNKQHMZ-NJAFHUGGSA-N 2 2 286.419 3.187 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423214437 302200208 /nfs/dbraw/zinc/20/02/08/302200208.db2.gz MNRDBOQSKKQTNX-DOTOQJQBSA-N 2 2 258.409 3.178 20 0 CGADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000415082785 303130429 /nfs/dbraw/zinc/13/04/29/303130429.db2.gz MCXQXBITHXQLGM-CYBMUJFWSA-N 2 2 290.304 3.161 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000564316337 322026706 /nfs/dbraw/zinc/02/67/06/322026706.db2.gz BBGLFWKJYIFEEF-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000564316337 322026707 /nfs/dbraw/zinc/02/67/07/322026707.db2.gz BBGLFWKJYIFEEF-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000564969047 322051786 /nfs/dbraw/zinc/05/17/86/322051786.db2.gz PGTBMUARVXWGGQ-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000564969047 322051787 /nfs/dbraw/zinc/05/17/87/322051787.db2.gz PGTBMUARVXWGGQ-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000565931890 322097128 /nfs/dbraw/zinc/09/71/28/322097128.db2.gz ZUAGOTFWKQXBHQ-LSDHHAIUSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000565931890 322097126 /nfs/dbraw/zinc/09/71/26/322097126.db2.gz ZUAGOTFWKQXBHQ-LSDHHAIUSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000566007372 322100535 /nfs/dbraw/zinc/10/05/35/322100535.db2.gz VOPFVRKUGZCWRK-OALUTQOASA-N 2 2 296.414 3.300 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000566614170 322131336 /nfs/dbraw/zinc/13/13/36/322131336.db2.gz SFUQDJSNXKQAMQ-NONVJHHQSA-N 2 2 298.430 3.451 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804589 322138967 /nfs/dbraw/zinc/13/89/67/322138967.db2.gz SRXKTWSXVFQEOX-QWRGUYRKSA-N 2 2 278.783 3.398 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804589 322138970 /nfs/dbraw/zinc/13/89/70/322138970.db2.gz SRXKTWSXVFQEOX-QWRGUYRKSA-N 2 2 278.783 3.398 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000566983328 322145723 /nfs/dbraw/zinc/14/57/23/322145723.db2.gz CTCUNLLXKQOXMQ-LSDHHAIUSA-N 2 2 288.439 3.105 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000566983328 322145724 /nfs/dbraw/zinc/14/57/24/322145724.db2.gz CTCUNLLXKQOXMQ-LSDHHAIUSA-N 2 2 288.439 3.105 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000567478185 322165030 /nfs/dbraw/zinc/16/50/30/322165030.db2.gz IHRFFQNLLXSHLS-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)n1C ZINC000568883763 322226396 /nfs/dbraw/zinc/22/63/96/322226396.db2.gz SVYANNNPFXTMHX-QPUFIGCCSA-N 2 2 261.413 3.033 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000569048478 322233175 /nfs/dbraw/zinc/23/31/75/322233175.db2.gz XCVPALYAAYHWCH-LJISPDSOSA-N 2 2 252.446 3.416 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000569048478 322233176 /nfs/dbraw/zinc/23/31/76/322233176.db2.gz XCVPALYAAYHWCH-LJISPDSOSA-N 2 2 252.446 3.416 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000569914322 322260213 /nfs/dbraw/zinc/26/02/13/322260213.db2.gz BSMLXNXTPDORBH-RDTXWAMCSA-N 2 2 287.451 3.081 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000569914322 322260215 /nfs/dbraw/zinc/26/02/15/322260215.db2.gz BSMLXNXTPDORBH-RDTXWAMCSA-N 2 2 287.451 3.081 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)COC2 ZINC000570182508 322267297 /nfs/dbraw/zinc/26/72/97/322267297.db2.gz KETRFTMTXQVHCI-ZDUSSCGKSA-N 2 2 297.402 3.100 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)n1C ZINC000570293875 322270251 /nfs/dbraw/zinc/27/02/51/322270251.db2.gz RMLJESMSIBJISU-SJORKVTESA-N 2 2 283.419 3.230 20 0 CGADLP C[C@@H](CCc1ccco1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000570729064 322280894 /nfs/dbraw/zinc/28/08/94/322280894.db2.gz DAXSGEQBKSRYDK-AWEZNQCLSA-N 2 2 296.374 3.353 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCCC23CCCC3)n1C ZINC000571538544 322301292 /nfs/dbraw/zinc/30/12/92/322301292.db2.gz RENSAODDSYOXEB-HNNXBMFYSA-N 2 2 261.413 3.321 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(C(F)F)c1 ZINC000572257443 322327916 /nfs/dbraw/zinc/32/79/16/322327916.db2.gz QLKQLAIXNCVDCT-UHFFFAOYSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(C(F)F)c1 ZINC000572257443 322327919 /nfs/dbraw/zinc/32/79/19/322327919.db2.gz QLKQLAIXNCVDCT-UHFFFAOYSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2F)CCCCCC1 ZINC000574663224 322451530 /nfs/dbraw/zinc/45/15/30/322451530.db2.gz MQKWRKYQILHCGD-UHFFFAOYSA-N 2 2 268.351 3.106 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CC(C)(C)C2)n1-c1ccccc1 ZINC000395292478 329281499 /nfs/dbraw/zinc/28/14/99/329281499.db2.gz LFGLTOSZCRLTPD-UHFFFAOYSA-N 2 2 269.392 3.459 20 0 CGADLP Cc1ccc(C)c([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423446397 533711032 /nfs/dbraw/zinc/71/10/32/533711032.db2.gz YSMGBQOWELUVRS-ZGXWSNOMSA-N 2 2 292.426 3.200 20 0 CGADLP C[C@H]([NH2+]Cc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650765 335162003 /nfs/dbraw/zinc/16/20/03/335162003.db2.gz PULVYNJQVRPBJX-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000576160492 335162439 /nfs/dbraw/zinc/16/24/39/335162439.db2.gz KAVDOAMCZQVNSW-HUUCEWRRSA-N 2 2 250.361 3.193 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000577633436 335383489 /nfs/dbraw/zinc/38/34/89/335383489.db2.gz IKLUIBCGMJVYPS-LBPRGKRZSA-N 2 2 289.448 3.213 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000577633436 335383491 /nfs/dbraw/zinc/38/34/91/335383491.db2.gz IKLUIBCGMJVYPS-LBPRGKRZSA-N 2 2 289.448 3.213 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337623 336052318 /nfs/dbraw/zinc/05/23/18/336052318.db2.gz RRNKVLNZWLPANI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337623 336052319 /nfs/dbraw/zinc/05/23/19/336052319.db2.gz RRNKVLNZWLPANI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337623 336052320 /nfs/dbraw/zinc/05/23/20/336052320.db2.gz RRNKVLNZWLPANI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337623 336052321 /nfs/dbraw/zinc/05/23/21/336052321.db2.gz RRNKVLNZWLPANI-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000382031002 336080592 /nfs/dbraw/zinc/08/05/92/336080592.db2.gz DJDGBCRSHJJEBU-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000382031002 336080594 /nfs/dbraw/zinc/08/05/94/336080594.db2.gz DJDGBCRSHJJEBU-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000385441482 336146482 /nfs/dbraw/zinc/14/64/82/336146482.db2.gz TWSVEXVDSFNLBH-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000385441482 336146484 /nfs/dbraw/zinc/14/64/84/336146484.db2.gz TWSVEXVDSFNLBH-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc2ccccc21 ZINC000449064071 533875173 /nfs/dbraw/zinc/87/51/73/533875173.db2.gz OJDRATZUZFSDMG-UHFFFAOYSA-N 2 2 295.386 3.225 20 0 CGADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000449073569 533890807 /nfs/dbraw/zinc/89/08/07/533890807.db2.gz JITHRUCMMYQIFD-AWEZNQCLSA-N 2 2 295.386 3.223 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc2ccccc21 ZINC000449234181 533906229 /nfs/dbraw/zinc/90/62/29/533906229.db2.gz PDIPRHOTBYEOGP-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc2ccccc21 ZINC000449234181 533906233 /nfs/dbraw/zinc/90/62/33/533906233.db2.gz PDIPRHOTBYEOGP-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424206589 534135391 /nfs/dbraw/zinc/13/53/91/534135391.db2.gz PFNDWQDGJWXJOM-FWEDZOCSSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424206589 534135396 /nfs/dbraw/zinc/13/53/96/534135396.db2.gz PFNDWQDGJWXJOM-FWEDZOCSSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC(C)(C)[NH+](C)C ZINC000449065428 534266175 /nfs/dbraw/zinc/26/61/75/534266175.db2.gz UKJCRONUYQHSOP-ZDUSSCGKSA-N 2 2 274.408 3.294 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000111172297 519719105 /nfs/dbraw/zinc/71/91/05/519719105.db2.gz OGIZWDXQKROAPL-CYBMUJFWSA-N 2 2 264.388 3.349 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]CC3CCCCC3)CC2)c1 ZINC000358060740 534508051 /nfs/dbraw/zinc/50/80/51/534508051.db2.gz KWKXFXKHUYRSFX-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155678570 521780139 /nfs/dbraw/zinc/78/01/39/521780139.db2.gz CYUCYJKBWPEODH-ZDUSSCGKSA-N 2 2 275.421 3.346 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000184496332 524501108 /nfs/dbraw/zinc/50/11/08/524501108.db2.gz VLGNGFZAXKFHFG-KBPBESRZSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286133 524840258 /nfs/dbraw/zinc/84/02/58/524840258.db2.gz SMXZQPOCZKZIAQ-FZMZJTMJSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286133 524840261 /nfs/dbraw/zinc/84/02/61/524840261.db2.gz SMXZQPOCZKZIAQ-FZMZJTMJSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163766722 524997961 /nfs/dbraw/zinc/99/79/61/524997961.db2.gz FRMQDMKKOYXUFR-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163766722 524997972 /nfs/dbraw/zinc/99/79/72/524997972.db2.gz FRMQDMKKOYXUFR-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000151134318 525348023 /nfs/dbraw/zinc/34/80/23/525348023.db2.gz XDYGXHXNVXMGDI-LBPRGKRZSA-N 2 2 275.421 3.174 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1F ZINC000151471767 525540079 /nfs/dbraw/zinc/54/00/79/525540079.db2.gz VCIXYCAQEDSYBH-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000150841215 526336368 /nfs/dbraw/zinc/33/63/68/526336368.db2.gz OPOPGENQIWRZHJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000150841215 526336370 /nfs/dbraw/zinc/33/63/70/526336370.db2.gz OPOPGENQIWRZHJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP c1ccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156313166 526463396 /nfs/dbraw/zinc/46/33/96/526463396.db2.gz NFBBPPPJESDPCT-GOSISDBHSA-N 2 2 282.387 3.168 20 0 CGADLP c1ccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156313166 526463398 /nfs/dbraw/zinc/46/33/98/526463398.db2.gz NFBBPPPJESDPCT-GOSISDBHSA-N 2 2 282.387 3.168 20 0 CGADLP Clc1scc(C[NH2+]CCn2cc[nH+]c2)c1Cl ZINC000309573446 527012855 /nfs/dbraw/zinc/01/28/55/527012855.db2.gz NWMLDWSDPRUURJ-UHFFFAOYSA-N 2 2 276.192 3.041 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252771 527809911 /nfs/dbraw/zinc/80/99/11/527809911.db2.gz UPZWTHAECQFYTF-IAGOWNOFSA-N 2 2 260.425 3.491 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000355853117 527944415 /nfs/dbraw/zinc/94/44/15/527944415.db2.gz OEZWERJRGZWXAB-DLBZAZTESA-N 2 2 299.418 3.166 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437766455 528138673 /nfs/dbraw/zinc/13/86/73/528138673.db2.gz SRRCOLGNAFTWHW-ZWKOTPCHSA-N 2 2 274.452 3.428 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423234906 528150212 /nfs/dbraw/zinc/15/02/12/528150212.db2.gz MMTYTLXLWMXOIK-WBVHZDCISA-N 2 2 288.435 3.365 20 0 CGADLP CC1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449352009 528163982 /nfs/dbraw/zinc/16/39/82/528163982.db2.gz TXSVNLLGZINYPP-UHFFFAOYSA-N 2 2 275.783 3.414 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000449176530 528171442 /nfs/dbraw/zinc/17/14/42/528171442.db2.gz NBDQSCNOMKDWSZ-GJZGRUSLSA-N 2 2 295.496 3.442 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423360370 528208805 /nfs/dbraw/zinc/20/88/05/528208805.db2.gz LHPGWUAOJGOEFJ-ZQIUZPCESA-N 2 2 276.424 3.122 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423381126 528224672 /nfs/dbraw/zinc/22/46/72/528224672.db2.gz HSAKUCZXDBNWBO-HOCLYGCPSA-N 2 2 275.440 3.291 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cs1 ZINC000423350061 528302094 /nfs/dbraw/zinc/30/20/94/528302094.db2.gz WSUZSMTZHXNWNH-IUODEOHRSA-N 2 2 281.469 3.307 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423253069 528330913 /nfs/dbraw/zinc/33/09/13/528330913.db2.gz YNRYOLDQNSKCGD-AWEZNQCLSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423251808 528332653 /nfs/dbraw/zinc/33/26/53/528332653.db2.gz WYFOTNLRBAMUJW-MRXNPFEDSA-N 2 2 264.388 3.256 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423525354 528359868 /nfs/dbraw/zinc/35/98/68/528359868.db2.gz PIYQTAFUGCPWJK-JKSUJKDBSA-N 2 2 296.842 3.005 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423379161 528422695 /nfs/dbraw/zinc/42/26/95/528422695.db2.gz LUDBFQGSRTVFKM-VXGBXAGGSA-N 2 2 276.380 3.090 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423390482 528423787 /nfs/dbraw/zinc/42/37/87/528423787.db2.gz WBZLSRFDIZJLPD-HUUCEWRRSA-N 2 2 278.440 3.370 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287140 528473948 /nfs/dbraw/zinc/47/39/48/528473948.db2.gz KMMGHWXLPQPVSH-SNVBAGLBSA-N 2 2 270.804 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423318005 528514730 /nfs/dbraw/zinc/51/47/30/528514730.db2.gz YYRAKTFWJYAUKG-OAHLLOKOSA-N 2 2 266.816 3.380 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CS1 ZINC000365178965 528767780 /nfs/dbraw/zinc/76/77/80/528767780.db2.gz VGHOZISJTWECCP-LZWOXQAQSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CS1 ZINC000365178965 528767783 /nfs/dbraw/zinc/76/77/83/528767783.db2.gz VGHOZISJTWECCP-LZWOXQAQSA-N 2 2 282.497 3.123 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423298889 528824671 /nfs/dbraw/zinc/82/46/71/528824671.db2.gz PCKNUUYQUFVWSZ-JQWIXIFHSA-N 2 2 286.341 3.198 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423301637 528955197 /nfs/dbraw/zinc/95/51/97/528955197.db2.gz UGAGAUUETKIHCO-IINYFYTJSA-N 2 2 256.340 3.133 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423236527 529010029 /nfs/dbraw/zinc/01/00/29/529010029.db2.gz HMJOLILBYKBUPD-IAGOWNOFSA-N 2 2 269.392 3.212 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000427604863 529058172 /nfs/dbraw/zinc/05/81/72/529058172.db2.gz SXZHVROCVXHHCA-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(C)C)C1 ZINC000427604863 529058175 /nfs/dbraw/zinc/05/81/75/529058175.db2.gz SXZHVROCVXHHCA-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCCC1 ZINC000449227942 529162167 /nfs/dbraw/zinc/16/21/67/529162167.db2.gz WSVONDIUMOMFMQ-OAHLLOKOSA-N 2 2 261.413 3.442 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1F ZINC000414125130 529169667 /nfs/dbraw/zinc/16/96/67/529169667.db2.gz MEJGRIZUQXMWQO-CQSZACIVSA-N 2 2 295.789 3.496 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000423382575 529172421 /nfs/dbraw/zinc/17/24/21/529172421.db2.gz GMBNRDZXFHNTOU-ZWNOBZJWSA-N 2 2 290.329 3.234 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368024157 529211096 /nfs/dbraw/zinc/21/10/96/529211096.db2.gz VIMCVEIRCBQZHU-GOEBONIOSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358150630 529220590 /nfs/dbraw/zinc/22/05/90/529220590.db2.gz DXMMFZJNAIVIBN-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423241705 529247708 /nfs/dbraw/zinc/24/77/08/529247708.db2.gz VGJJVBRVVUFQEY-GXTWGEPZSA-N 2 2 264.438 3.201 20 0 CGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000494086419 535451299 /nfs/dbraw/zinc/45/12/99/535451299.db2.gz BTOVXYRLASYBAP-AWEZNQCLSA-N 2 2 295.496 3.306 20 0 CGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000494086419 535451303 /nfs/dbraw/zinc/45/13/03/535451303.db2.gz BTOVXYRLASYBAP-AWEZNQCLSA-N 2 2 295.496 3.306 20 0 CGADLP CCCc1csc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000494077238 535455905 /nfs/dbraw/zinc/45/59/05/535455905.db2.gz GKEKGCHVBOZYPI-GXTWGEPZSA-N 2 2 281.469 3.058 20 0 CGADLP Cl/C=C\C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686960 571815183 /nfs/dbraw/zinc/81/51/83/571815183.db2.gz ZJTRZYGBBNPWPM-LYASGUKUSA-N 2 2 270.848 3.327 20 0 CGADLP Cl/C=C\C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686960 571815184 /nfs/dbraw/zinc/81/51/84/571815184.db2.gz ZJTRZYGBBNPWPM-LYASGUKUSA-N 2 2 270.848 3.327 20 0 CGADLP C[C@H]([NH2+]Cc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391513 572574913 /nfs/dbraw/zinc/57/49/13/572574913.db2.gz KRGVAGRTKNOSPC-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC000811486781 617626529 /nfs/dbraw/zinc/62/65/29/617626529.db2.gz NOJNGGISIGVNMA-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC000811486781 617626534 /nfs/dbraw/zinc/62/65/34/617626534.db2.gz NOJNGGISIGVNMA-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245393 618083735 /nfs/dbraw/zinc/08/37/35/618083735.db2.gz XLORICCAYVICCU-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245393 618083737 /nfs/dbraw/zinc/08/37/37/618083737.db2.gz XLORICCAYVICCU-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)o1 ZINC000093660100 618403782 /nfs/dbraw/zinc/40/37/82/618403782.db2.gz AHMJLXYLEBVXBI-MRXNPFEDSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)o1 ZINC000093660100 618403785 /nfs/dbraw/zinc/40/37/85/618403785.db2.gz AHMJLXYLEBVXBI-MRXNPFEDSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000093660100 618403787 /nfs/dbraw/zinc/40/37/87/618403787.db2.gz AHMJLXYLEBVXBI-MRXNPFEDSA-N 2 2 264.413 3.203 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000093660100 618403789 /nfs/dbraw/zinc/40/37/89/618403789.db2.gz AHMJLXYLEBVXBI-MRXNPFEDSA-N 2 2 264.413 3.203 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC3(C)C)CC2)cc1 ZINC000840849720 618665513 /nfs/dbraw/zinc/66/55/13/618665513.db2.gz IPXNMKYBHDBMOW-KRWDZBQOSA-N 2 2 287.451 3.110 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559966 618833130 /nfs/dbraw/zinc/83/31/30/618833130.db2.gz NRKGLXMKIPUWMD-WMLDXEAASA-N 2 2 290.451 3.049 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559966 618833132 /nfs/dbraw/zinc/83/31/32/618833132.db2.gz NRKGLXMKIPUWMD-WMLDXEAASA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000311230069 618897377 /nfs/dbraw/zinc/89/73/77/618897377.db2.gz ZKGZRWSMDLNITM-CABZTGNLSA-N 2 2 276.758 3.315 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000311230069 618897380 /nfs/dbraw/zinc/89/73/80/618897380.db2.gz ZKGZRWSMDLNITM-CABZTGNLSA-N 2 2 276.758 3.315 20 0 CGADLP CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000893322727 619094422 /nfs/dbraw/zinc/09/44/22/619094422.db2.gz VUFGVYGJUCSFKW-UHFFFAOYSA-N 2 2 280.412 3.077 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000925645387 619104375 /nfs/dbraw/zinc/10/43/75/619104375.db2.gz PUBIITNKFMLYJK-FPMFFAJLSA-N 2 2 286.341 3.063 20 0 CGADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000925665114 619119565 /nfs/dbraw/zinc/11/95/65/619119565.db2.gz ILMPKYUXLMPTHW-IPELMVKDSA-N 2 2 298.430 3.015 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Cl ZINC000925778763 619240833 /nfs/dbraw/zinc/24/08/33/619240833.db2.gz KWPSNCGOZWGIPD-GHMZBOCLSA-N 2 2 288.769 3.235 20 0 CGADLP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000317201036 619245438 /nfs/dbraw/zinc/24/54/38/619245438.db2.gz YPVVJJGYCKQNFQ-IKGGRYGDSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccccc1Br ZINC000261540903 619288391 /nfs/dbraw/zinc/28/83/91/619288391.db2.gz ANUVRMJRTPFNKE-SUNKGSAMSA-N 2 2 297.240 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccoc1 ZINC000094868819 619288645 /nfs/dbraw/zinc/28/86/45/619288645.db2.gz YQCSPYBJMQTUHK-OCCSQVGLSA-N 2 2 261.369 3.242 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(C(C)(C)C)co2)CC1 ZINC000893854526 619323062 /nfs/dbraw/zinc/32/30/62/619323062.db2.gz BDFLJMFPHOXNKH-UHFFFAOYSA-N 2 2 291.439 3.032 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(C(C)(C)C)co2)CC1 ZINC000893854526 619323065 /nfs/dbraw/zinc/32/30/65/619323065.db2.gz BDFLJMFPHOXNKH-UHFFFAOYSA-N 2 2 291.439 3.032 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000893978074 619343846 /nfs/dbraw/zinc/34/38/46/619343846.db2.gz OIMNCEOFWYHRMG-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000893978074 619343848 /nfs/dbraw/zinc/34/38/48/619343848.db2.gz OIMNCEOFWYHRMG-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893978074 619343850 /nfs/dbraw/zinc/34/38/50/619343850.db2.gz OIMNCEOFWYHRMG-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893978074 619343852 /nfs/dbraw/zinc/34/38/52/619343852.db2.gz OIMNCEOFWYHRMG-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000894450118 619540426 /nfs/dbraw/zinc/54/04/26/619540426.db2.gz SCEDRPKLQDUCED-UHFFFAOYSA-N 2 2 299.418 3.257 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000894450118 619540433 /nfs/dbraw/zinc/54/04/33/619540433.db2.gz SCEDRPKLQDUCED-UHFFFAOYSA-N 2 2 299.418 3.257 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895645750 619863903 /nfs/dbraw/zinc/86/39/03/619863903.db2.gz BHAMTABJBHXFRG-IIDMSEBBSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895645750 619863905 /nfs/dbraw/zinc/86/39/05/619863905.db2.gz BHAMTABJBHXFRG-IIDMSEBBSA-N 2 2 285.435 3.039 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895671384 619869302 /nfs/dbraw/zinc/86/93/02/619869302.db2.gz LHAVGCIMWBUGLA-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccoc2C)CC1 ZINC000895821117 619890331 /nfs/dbraw/zinc/89/03/31/619890331.db2.gz BYKKICVXYWLZAU-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1ccc(CC[NH2+][C@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000896716390 620051054 /nfs/dbraw/zinc/05/10/54/620051054.db2.gz IFACYLKJGOAXEU-LJQANCHMSA-N 2 2 297.446 3.215 20 0 CGADLP c1ccc2c(c1)C=C(C[NH+]1CCC([NH2+]C3CCC3)CC1)CO2 ZINC000897980957 620461519 /nfs/dbraw/zinc/46/15/19/620461519.db2.gz GRDYEFKPXSRCGQ-UHFFFAOYSA-N 2 2 298.430 3.069 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981195 620461932 /nfs/dbraw/zinc/46/19/32/620461932.db2.gz JYSLXZQKIVKFQT-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP Clc1cccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982324 620461947 /nfs/dbraw/zinc/46/19/47/620461947.db2.gz JTAIHUZNVIXJQL-UHFFFAOYSA-N 2 2 292.854 3.489 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000898313435 620511050 /nfs/dbraw/zinc/51/10/50/620511050.db2.gz VMVIOFKUNWSQED-HRCADAONSA-N 2 2 284.488 3.146 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902319133 621241934 /nfs/dbraw/zinc/24/19/34/621241934.db2.gz SDOOKHUNXWEFQB-LBPRGKRZSA-N 2 2 295.496 3.308 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1OCc1ccccc1 ZINC000902417329 621309806 /nfs/dbraw/zinc/30/98/06/621309806.db2.gz YETYOCQDVANMKZ-OAHLLOKOSA-N 2 2 296.414 3.408 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2ccccc2)o1 ZINC000902418750 621310500 /nfs/dbraw/zinc/31/05/00/621310500.db2.gz ZJMWTFXDDGKHEO-GFCCVEGCSA-N 2 2 256.349 3.089 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431657 621316571 /nfs/dbraw/zinc/31/65/71/621316571.db2.gz GNEZSJNXQNGDPO-GDIGMMSISA-N 2 2 295.430 3.007 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000902435858 621318076 /nfs/dbraw/zinc/31/80/76/621318076.db2.gz WCIMLQGTLFFNSE-VJUNAUMWSA-N 2 2 276.399 3.119 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2cc(Cl)ccc2o1 ZINC000902413106 621322798 /nfs/dbraw/zinc/32/27/98/621322798.db2.gz INGKIVWFESXDQZ-SECBINFHSA-N 2 2 264.756 3.228 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902780830 621438060 /nfs/dbraw/zinc/43/80/60/621438060.db2.gz URHDLKGKMZUKJO-MNOVXSKESA-N 2 2 289.345 3.091 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902988769 621513456 /nfs/dbraw/zinc/51/34/56/621513456.db2.gz WZJGCCBRNBSWAZ-ZOBUZTSGSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902995569 621517668 /nfs/dbraw/zinc/51/76/68/621517668.db2.gz NTGRMEKCIYPJLF-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000902995569 621517679 /nfs/dbraw/zinc/51/76/79/621517679.db2.gz NTGRMEKCIYPJLF-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP C[C@@H]([NH2+]CCc1ccns1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087980 621566034 /nfs/dbraw/zinc/56/60/34/621566034.db2.gz OJFXXSJFRGPGAX-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP C([NH2+][C@H]1CCOC12CCCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000903206258 621629668 /nfs/dbraw/zinc/62/96/68/621629668.db2.gz QDTBHXOMAXUBBZ-SJORKVTESA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC12CCCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000903206258 621629671 /nfs/dbraw/zinc/62/96/71/621629671.db2.gz QDTBHXOMAXUBBZ-SJORKVTESA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903261212 621647132 /nfs/dbraw/zinc/64/71/32/621647132.db2.gz UHFCHXDMCQYITR-VHSSKADRSA-N 2 2 297.402 3.090 20 0 CGADLP C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1C[NH3+] ZINC000903424918 621751238 /nfs/dbraw/zinc/75/12/38/621751238.db2.gz LOBSMAOTOUBQGG-DRPJVOAASA-N 2 2 294.389 3.095 20 0 CGADLP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1C[NH3+] ZINC000903424918 621751240 /nfs/dbraw/zinc/75/12/40/621751240.db2.gz LOBSMAOTOUBQGG-DRPJVOAASA-N 2 2 294.389 3.095 20 0 CGADLP FC(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903485072 621765586 /nfs/dbraw/zinc/76/55/86/621765586.db2.gz ZTKOOKWZWNPVDY-CQSZACIVSA-N 2 2 280.362 3.389 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]([NH3+])CC(F)F ZINC000903872041 621824449 /nfs/dbraw/zinc/82/44/49/621824449.db2.gz BSXAOZBJEFZVOZ-CQSZACIVSA-N 2 2 284.394 3.398 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]([NH3+])CC(F)F ZINC000903872041 621824452 /nfs/dbraw/zinc/82/44/52/621824452.db2.gz BSXAOZBJEFZVOZ-CQSZACIVSA-N 2 2 284.394 3.398 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910527 621832274 /nfs/dbraw/zinc/83/22/74/621832274.db2.gz NBXDWPRTZYLDJQ-RDJZCZTQSA-N 2 2 296.405 3.314 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910527 621832275 /nfs/dbraw/zinc/83/22/75/621832275.db2.gz NBXDWPRTZYLDJQ-RDJZCZTQSA-N 2 2 296.405 3.314 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000904471566 621925390 /nfs/dbraw/zinc/92/53/90/621925390.db2.gz JCCPITXZHXBGDJ-BBRMVZONSA-N 2 2 284.403 3.251 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924847318 622684291 /nfs/dbraw/zinc/68/42/91/622684291.db2.gz SOSMMYKQAOTJOW-CYBMUJFWSA-N 2 2 294.414 3.446 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000157354345 622899487 /nfs/dbraw/zinc/89/94/87/622899487.db2.gz XBODRMANKNDUPX-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)C1CC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000232538884 623398689 /nfs/dbraw/zinc/39/86/89/623398689.db2.gz UEUKDEYCPOIEKE-NRXISQOPSA-N 2 2 263.429 3.322 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000182628921 625021511 /nfs/dbraw/zinc/02/15/11/625021511.db2.gz GXQVYSCFJSUYOB-HNNXBMFYSA-N 2 2 287.451 3.429 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000184310294 625221653 /nfs/dbraw/zinc/22/16/53/625221653.db2.gz FXFSJNMBENFKDL-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000923413477 626151730 /nfs/dbraw/zinc/15/17/30/626151730.db2.gz GDYMUUZNCKABAP-KRWDZBQOSA-N 2 2 293.455 3.169 20 0 CGADLP CC(C)(C)c1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000923413477 626151732 /nfs/dbraw/zinc/15/17/32/626151732.db2.gz GDYMUUZNCKABAP-KRWDZBQOSA-N 2 2 293.455 3.169 20 0 CGADLP Cc1[nH+]ccn1CCCO[NH+]=C(N)C1CCCCCC1 ZINC000769565853 627566735 /nfs/dbraw/zinc/56/67/35/627566735.db2.gz UTHRHWRZHPDMCJ-UHFFFAOYSA-N 2 2 278.400 3.050 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000772997702 627839528 /nfs/dbraw/zinc/83/95/28/627839528.db2.gz DVNBSDKDXLMOCW-INIZCTEOSA-N 2 2 299.462 3.420 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C(C)C)cc1 ZINC000774444540 627991186 /nfs/dbraw/zinc/99/11/86/627991186.db2.gz SBJHQXBQOHNBBH-YJBOKZPZSA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C(C)C)cc1 ZINC000774444540 627991189 /nfs/dbraw/zinc/99/11/89/627991189.db2.gz SBJHQXBQOHNBBH-YJBOKZPZSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000776035968 628160311 /nfs/dbraw/zinc/16/03/11/628160311.db2.gz PEETUNQTBIKPOY-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP Clc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000776254363 628185270 /nfs/dbraw/zinc/18/52/70/628185270.db2.gz CQEIECNWZNHWGT-UHFFFAOYSA-N 2 2 298.777 3.211 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H](C)C2 ZINC000779071795 628386767 /nfs/dbraw/zinc/38/67/67/628386767.db2.gz HLUAAPSEFPPWTC-HDMKZQKVSA-N 2 2 272.436 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H](C)C2 ZINC000779071795 628386770 /nfs/dbraw/zinc/38/67/70/628386770.db2.gz HLUAAPSEFPPWTC-HDMKZQKVSA-N 2 2 272.436 3.302 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000863542336 629602588 /nfs/dbraw/zinc/60/25/88/629602588.db2.gz PUNVQJXCBWFHFW-BBRMVZONSA-N 2 2 274.408 3.021 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)cc2)CC1 ZINC000800487742 630286082 /nfs/dbraw/zinc/28/60/82/630286082.db2.gz KEYFCABJLWQMDH-LZQZEXGQSA-N 2 2 299.462 3.429 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000800979834 630316884 /nfs/dbraw/zinc/31/68/84/630316884.db2.gz AOXCLZFQXYJROE-OALUTQOASA-N 2 2 299.462 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000806156074 630550764 /nfs/dbraw/zinc/55/07/64/630550764.db2.gz XIRKIHDVCLARJZ-RHSMWYFYSA-N 2 2 273.424 3.039 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817954997 632250287 /nfs/dbraw/zinc/25/02/87/632250287.db2.gz OAZXUVWGMDZESI-CXAGYDPISA-N 2 2 272.367 3.485 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865789490 632892663 /nfs/dbraw/zinc/89/26/63/632892663.db2.gz FGSJHYYAKVRRSE-UHFFFAOYSA-N 2 2 267.323 3.105 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000866350855 633093410 /nfs/dbraw/zinc/09/34/10/633093410.db2.gz DKJCRNAQPGOYSM-NVXWUHKLSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000866350855 633093416 /nfs/dbraw/zinc/09/34/16/633093416.db2.gz DKJCRNAQPGOYSM-NVXWUHKLSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000866397940 633122519 /nfs/dbraw/zinc/12/25/19/633122519.db2.gz KZRYTPCRXBOPLB-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000866397940 633122526 /nfs/dbraw/zinc/12/25/26/633122526.db2.gz KZRYTPCRXBOPLB-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000827519944 633496185 /nfs/dbraw/zinc/49/61/85/633496185.db2.gz XFZSGDOLYHXYMU-CQSZACIVSA-N 2 2 284.806 3.096 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000827519944 633496186 /nfs/dbraw/zinc/49/61/86/633496186.db2.gz XFZSGDOLYHXYMU-CQSZACIVSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000872027774 633947071 /nfs/dbraw/zinc/94/70/71/633947071.db2.gz GNXMRTCFSGHMSM-BRWVUGGUSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1cccc(O)c1F)[NH+]1CCCCC1 ZINC000872061670 633984070 /nfs/dbraw/zinc/98/40/70/633984070.db2.gz FUHIZXQGGXXLOQ-KBPBESRZSA-N 2 2 294.414 3.446 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(O)c1F ZINC000872066636 633988558 /nfs/dbraw/zinc/98/85/58/633988558.db2.gz OTHNGKSDJKQTHR-CYBMUJFWSA-N 2 2 294.414 3.304 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872088348 634014151 /nfs/dbraw/zinc/01/41/51/634014151.db2.gz QEMQZAMLZRASDB-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872088348 634014158 /nfs/dbraw/zinc/01/41/58/634014158.db2.gz QEMQZAMLZRASDB-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cccn2c(CNc3ccc([C@@H]4C[C@H]4[NH3+])cc3)c[nH+]c12 ZINC000873214640 634287871 /nfs/dbraw/zinc/28/78/71/634287871.db2.gz CJJXLRLUFMQUME-DLBZAZTESA-N 2 2 292.386 3.069 20 0 CGADLP CSC(C)(C)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876650894 634875293 /nfs/dbraw/zinc/87/52/93/634875293.db2.gz JQGPIQHBBKAOMB-UHFFFAOYSA-N 2 2 267.442 3.121 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738406 635172581 /nfs/dbraw/zinc/17/25/81/635172581.db2.gz BNOAVZLXKSXNFR-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738406 635172583 /nfs/dbraw/zinc/17/25/83/635172583.db2.gz BNOAVZLXKSXNFR-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738406 635172587 /nfs/dbraw/zinc/17/25/87/635172587.db2.gz BNOAVZLXKSXNFR-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738406 635172590 /nfs/dbraw/zinc/17/25/90/635172590.db2.gz BNOAVZLXKSXNFR-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738408 635173402 /nfs/dbraw/zinc/17/34/02/635173402.db2.gz BNOAVZLXKSXNFR-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738408 635173409 /nfs/dbraw/zinc/17/34/09/635173409.db2.gz BNOAVZLXKSXNFR-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738408 635173415 /nfs/dbraw/zinc/17/34/15/635173415.db2.gz BNOAVZLXKSXNFR-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@H]21 ZINC000877738408 635173421 /nfs/dbraw/zinc/17/34/21/635173421.db2.gz BNOAVZLXKSXNFR-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744496 635179078 /nfs/dbraw/zinc/17/90/78/635179078.db2.gz UVWTVNSVMGCEDJ-HTGBSUJWSA-N 2 2 290.838 3.379 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744496 635179082 /nfs/dbraw/zinc/17/90/82/635179082.db2.gz UVWTVNSVMGCEDJ-HTGBSUJWSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744496 635179086 /nfs/dbraw/zinc/17/90/86/635179086.db2.gz UVWTVNSVMGCEDJ-HTGBSUJWSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744496 635179089 /nfs/dbraw/zinc/17/90/89/635179089.db2.gz UVWTVNSVMGCEDJ-HTGBSUJWSA-N 2 2 290.838 3.379 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252905 635434443 /nfs/dbraw/zinc/43/44/43/635434443.db2.gz YNWQNYKADYTAID-ZIAGYGMSSA-N 2 2 291.439 3.183 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252905 635434450 /nfs/dbraw/zinc/43/44/50/635434450.db2.gz YNWQNYKADYTAID-ZIAGYGMSSA-N 2 2 291.439 3.183 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@H]1CCc2ccccc21 ZINC000880143102 635924766 /nfs/dbraw/zinc/92/47/66/635924766.db2.gz XWVTZPPAFXIWJY-NZSAHSFTSA-N 2 2 284.447 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@H]1CCc2ccccc21 ZINC000880143102 635924769 /nfs/dbraw/zinc/92/47/69/635924769.db2.gz XWVTZPPAFXIWJY-NZSAHSFTSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000880143102 635924773 /nfs/dbraw/zinc/92/47/73/635924773.db2.gz XWVTZPPAFXIWJY-NZSAHSFTSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@H]1CCc2ccccc21 ZINC000880143102 635924776 /nfs/dbraw/zinc/92/47/76/635924776.db2.gz XWVTZPPAFXIWJY-NZSAHSFTSA-N 2 2 284.447 3.275 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000880475549 636008423 /nfs/dbraw/zinc/00/84/23/636008423.db2.gz WATZUPHHZLYOFP-LBPRGKRZSA-N 2 2 291.266 3.131 20 0 CGADLP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000128834980 636079521 /nfs/dbraw/zinc/07/95/21/636079521.db2.gz VISLPKCKOGFFFO-HOCLYGCPSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000128834980 636079524 /nfs/dbraw/zinc/07/95/24/636079524.db2.gz VISLPKCKOGFFFO-HOCLYGCPSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883222887 636595656 /nfs/dbraw/zinc/59/56/56/636595656.db2.gz CSUWTCACJHOBHV-JMSVASOKSA-N 2 2 261.413 3.071 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428620 636752560 /nfs/dbraw/zinc/75/25/60/636752560.db2.gz YNWLXUHSJBHYLC-OWCLPIDISA-N 2 2 294.389 3.239 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1c1ccccc1 ZINC000883428620 636752567 /nfs/dbraw/zinc/75/25/67/636752567.db2.gz YNWLXUHSJBHYLC-OWCLPIDISA-N 2 2 294.389 3.239 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439517 636756177 /nfs/dbraw/zinc/75/61/77/636756177.db2.gz TZSRZNZWSNVLCB-KZNAEPCWSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883439517 636756185 /nfs/dbraw/zinc/75/61/85/636756185.db2.gz TZSRZNZWSNVLCB-KZNAEPCWSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000133645998 636964773 /nfs/dbraw/zinc/96/47/73/636964773.db2.gz JOKTYXDLGRWPRJ-RVKKMQEKSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556154 637121606 /nfs/dbraw/zinc/12/16/06/637121606.db2.gz RFURIIGCQGOWNN-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556154 637121615 /nfs/dbraw/zinc/12/16/15/637121615.db2.gz RFURIIGCQGOWNN-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCc1nc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc(C)[nH+]1 ZINC000884706557 637131676 /nfs/dbraw/zinc/13/16/76/637131676.db2.gz HKQVGPNRSHXKNJ-UHFFFAOYSA-N 2 2 299.422 3.071 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000885940085 637323076 /nfs/dbraw/zinc/32/30/76/637323076.db2.gz AIUVMUQTZVRAGU-SJORKVTESA-N 2 2 299.418 3.310 20 0 CGADLP FC(F)(F)SCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000886017209 637366334 /nfs/dbraw/zinc/36/63/34/637366334.db2.gz UPGIOPKIQQURGY-GFCCVEGCSA-N 2 2 296.402 3.190 20 0 CGADLP FC(F)(F)SCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000886017209 637366342 /nfs/dbraw/zinc/36/63/42/637366342.db2.gz UPGIOPKIQQURGY-GFCCVEGCSA-N 2 2 296.402 3.190 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000886508739 637545964 /nfs/dbraw/zinc/54/59/64/637545964.db2.gz LYYOKPCVWAJBQY-ARFHVFGLSA-N 2 2 293.455 3.235 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000886714385 637667219 /nfs/dbraw/zinc/66/72/19/637667219.db2.gz JJBJJXUJSWZHEE-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924534451 638354252 /nfs/dbraw/zinc/35/42/52/638354252.db2.gz KXMKPWHWQSZQLW-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924534451 638354260 /nfs/dbraw/zinc/35/42/60/638354260.db2.gz KXMKPWHWQSZQLW-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccns1 ZINC000924927334 638425506 /nfs/dbraw/zinc/42/55/06/638425506.db2.gz PLEISRAZMNFRFP-LBPRGKRZSA-N 2 2 276.409 3.081 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCCO1 ZINC000925524992 638519321 /nfs/dbraw/zinc/51/93/21/638519321.db2.gz CVQPDRKXWNOIJP-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCCCO1 ZINC000925524992 638519325 /nfs/dbraw/zinc/51/93/25/638519325.db2.gz CVQPDRKXWNOIJP-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)co2)cc1 ZINC000925527397 638520294 /nfs/dbraw/zinc/52/02/94/638520294.db2.gz NNYSBIOKTDKPCS-HZPDHXFCSA-N 2 2 297.402 3.010 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000925681828 638567620 /nfs/dbraw/zinc/56/76/20/638567620.db2.gz XYDYFRYOUIBXSE-QEJZJMRPSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750837 638597338 /nfs/dbraw/zinc/59/73/38/638597338.db2.gz IOMAOQGAMZCJCJ-XHDPSFHLSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750837 638597346 /nfs/dbraw/zinc/59/73/46/638597346.db2.gz IOMAOQGAMZCJCJ-XHDPSFHLSA-N 2 2 299.443 3.208 20 0 CGADLP Cc1cc(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])c[nH+]c1C ZINC000925770605 638604935 /nfs/dbraw/zinc/60/49/35/638604935.db2.gz WZTSGDARYBUWNA-MLGOLLRUSA-N 2 2 255.365 3.199 20 0 CGADLP Cc1cnc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)c1 ZINC000925830831 638625975 /nfs/dbraw/zinc/62/59/75/638625975.db2.gz FUWWBNNWBCSTQT-ZWKOTPCHSA-N 2 2 295.430 3.281 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccnc1Cl ZINC000858490234 638740927 /nfs/dbraw/zinc/74/09/27/638740927.db2.gz DCLPPOUKEJIXKE-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1Cl ZINC000858490234 638740932 /nfs/dbraw/zinc/74/09/32/638740932.db2.gz DCLPPOUKEJIXKE-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000926367487 638766884 /nfs/dbraw/zinc/76/68/84/638766884.db2.gz MMJVKYWNFZOQSV-NWDGAFQWSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000926367487 638766887 /nfs/dbraw/zinc/76/68/87/638766887.db2.gz MMJVKYWNFZOQSV-NWDGAFQWSA-N 2 2 278.362 3.181 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H]1c1cccnc1 ZINC000926580821 638787709 /nfs/dbraw/zinc/78/77/09/638787709.db2.gz YVDDGPOLQYFGRN-BVRUVYRISA-N 2 2 297.446 3.019 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H]1c1cccnc1 ZINC000926580821 638787712 /nfs/dbraw/zinc/78/77/12/638787712.db2.gz YVDDGPOLQYFGRN-BVRUVYRISA-N 2 2 297.446 3.019 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccns1 ZINC000926861827 638818726 /nfs/dbraw/zinc/81/87/26/638818726.db2.gz CCMKXVMGNWJWKN-ZFWWWQNUSA-N 2 2 298.415 3.432 20 0 CGADLP c1cn(C2CC[NH+](CC3CCC4(CC4)CC3)CC2)c[nH+]1 ZINC000929804056 638952772 /nfs/dbraw/zinc/95/27/72/638952772.db2.gz SAQODZFDDQJCIK-UHFFFAOYSA-N 2 2 273.424 3.490 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC2(CCC2)O1 ZINC000929813240 638953758 /nfs/dbraw/zinc/95/37/58/638953758.db2.gz JRKDABMTULKTQD-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC2(CCC2)O1 ZINC000929813240 638953759 /nfs/dbraw/zinc/95/37/59/638953759.db2.gz JRKDABMTULKTQD-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC2(CCC2)O1 ZINC000929813240 638953761 /nfs/dbraw/zinc/95/37/61/638953761.db2.gz JRKDABMTULKTQD-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC2(CCC2)O1 ZINC000929813240 638953763 /nfs/dbraw/zinc/95/37/63/638953763.db2.gz JRKDABMTULKTQD-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(C)C ZINC000930444077 638999626 /nfs/dbraw/zinc/99/96/26/638999626.db2.gz UKSYGJVSXSNCDH-HUUCEWRRSA-N 2 2 279.428 3.100 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000931349009 639138451 /nfs/dbraw/zinc/13/84/51/639138451.db2.gz RXQBWXKZUKORQA-YFHOEESVSA-N 2 2 258.409 3.116 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932922764 639399668 /nfs/dbraw/zinc/39/96/68/639399668.db2.gz NGGJACPTDHUSHN-INIZCTEOSA-N 2 2 289.448 3.121 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932922764 639399675 /nfs/dbraw/zinc/39/96/75/639399675.db2.gz NGGJACPTDHUSHN-INIZCTEOSA-N 2 2 289.448 3.121 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc(C)c2cccc(C)c2[nH+]1 ZINC001156002115 805639149 /nfs/dbraw/zinc/63/91/49/805639149.db2.gz RBPKNDZRFFVHNI-UHFFFAOYSA-N 2 2 280.375 3.469 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1ccc(C(C)(C)C)c[nH+]1 ZINC001156986268 805762124 /nfs/dbraw/zinc/76/21/24/805762124.db2.gz ULIYOPDLUGCIPF-UHFFFAOYSA-N 2 2 270.380 3.277 20 0 CGADLP Cc1cc2ccccc2c(NCC[NH+]2CCSCC2)[nH+]1 ZINC001157046056 805768614 /nfs/dbraw/zinc/76/86/14/805768614.db2.gz ZLUQUZHVJJTHQW-UHFFFAOYSA-N 2 2 287.432 3.004 20 0 CGADLP CCOc1cc[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001157742333 805860589 /nfs/dbraw/zinc/86/05/89/805860589.db2.gz BRRWIUYLFKTOSD-ZDUSSCGKSA-N 2 2 283.375 3.064 20 0 CGADLP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001158264975 805930978 /nfs/dbraw/zinc/93/09/78/805930978.db2.gz DRIQQCGEOQYENY-DYVFJYSZSA-N 2 2 291.439 3.354 20 0 CGADLP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001158264976 805931376 /nfs/dbraw/zinc/93/13/76/805931376.db2.gz DRIQQCGEOQYENY-GUYCJALGSA-N 2 2 291.439 3.354 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001158683279 805986052 /nfs/dbraw/zinc/98/60/52/805986052.db2.gz YYTOSMLKWWHKMZ-HNNXBMFYSA-N 2 2 281.831 3.031 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001158683279 805986058 /nfs/dbraw/zinc/98/60/58/805986058.db2.gz YYTOSMLKWWHKMZ-HNNXBMFYSA-N 2 2 281.831 3.031 20 0 CGADLP CCOc1cc(Nc2cccc3c2CC[NH2+]C3)cc(C)[nH+]1 ZINC001159253672 806065693 /nfs/dbraw/zinc/06/56/93/806065693.db2.gz DRHPBKCYXHPKDU-UHFFFAOYSA-N 2 2 283.375 3.178 20 0 CGADLP Cc1ccc(C)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1 ZINC001159321165 806083102 /nfs/dbraw/zinc/08/31/02/806083102.db2.gz FXRKFYNYYNMLNT-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP CCc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1 ZINC001159321602 806083710 /nfs/dbraw/zinc/08/37/10/806083710.db2.gz MKJFXYPCSVNEKB-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP c1c[nH+]c(Nc2ccc3c(c2)C[NH2+]C3)c(C2CC2)c1 ZINC001159365753 806087653 /nfs/dbraw/zinc/08/76/53/806087653.db2.gz LFHZUKSOGIFBFA-UHFFFAOYSA-N 2 2 251.333 3.306 20 0 CGADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159505551 806114929 /nfs/dbraw/zinc/11/49/29/806114929.db2.gz WYMPHTZZJSLFCU-INIZCTEOSA-N 2 2 292.386 3.341 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159547666 806119511 /nfs/dbraw/zinc/11/95/11/806119511.db2.gz FUJJZZOLXAUOTE-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cc1N ZINC001160014568 806213477 /nfs/dbraw/zinc/21/34/77/806213477.db2.gz BAWVKZYMAAVDCV-UHFFFAOYSA-N 2 2 296.418 3.258 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cc1 ZINC001254834283 806492975 /nfs/dbraw/zinc/49/29/75/806492975.db2.gz WTTROKYPTAVQLX-BLLLJJGKSA-N 2 2 278.827 3.475 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841415 806496075 /nfs/dbraw/zinc/49/60/75/806496075.db2.gz WHVLHDNJSVXRTD-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP FC1(F)CCC(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846812 806496934 /nfs/dbraw/zinc/49/69/34/806496934.db2.gz VXYMJPNIIVQDFD-OAHLLOKOSA-N 2 2 286.410 3.276 20 0 CGADLP F[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135443 806552274 /nfs/dbraw/zinc/55/22/74/806552274.db2.gz BIXLNDMAHMUXDD-FJIDUMEYSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135443 806552278 /nfs/dbraw/zinc/55/22/78/806552278.db2.gz BIXLNDMAHMUXDD-FJIDUMEYSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135443 806552284 /nfs/dbraw/zinc/55/22/84/806552284.db2.gz BIXLNDMAHMUXDD-FJIDUMEYSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135443 806552286 /nfs/dbraw/zinc/55/22/86/806552286.db2.gz BIXLNDMAHMUXDD-FJIDUMEYSA-N 2 2 288.410 3.226 20 0 CGADLP CC(C)COc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc[nH+]1 ZINC001162469878 806592451 /nfs/dbraw/zinc/59/24/51/806592451.db2.gz DZCNVAXEQGYPLH-HUUCEWRRSA-N 2 2 291.439 3.164 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522686 806662275 /nfs/dbraw/zinc/66/22/75/806662275.db2.gz UPAWCWPIEJWYIT-BLYZHGLHSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522686 806662278 /nfs/dbraw/zinc/66/22/78/806662278.db2.gz UPAWCWPIEJWYIT-BLYZHGLHSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522686 806662282 /nfs/dbraw/zinc/66/22/82/806662282.db2.gz UPAWCWPIEJWYIT-BLYZHGLHSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC001255522686 806662285 /nfs/dbraw/zinc/66/22/85/806662285.db2.gz UPAWCWPIEJWYIT-BLYZHGLHSA-N 2 2 290.373 3.134 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCC1 ZINC000037156331 798860502 /nfs/dbraw/zinc/86/05/02/798860502.db2.gz RUPLCRZAJXEVJK-OAHLLOKOSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000037901076 798879245 /nfs/dbraw/zinc/87/92/45/798879245.db2.gz FGFXARMEVCYJAV-UHFFFAOYSA-N 3 2 295.515 3.103 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000037901076 798879251 /nfs/dbraw/zinc/87/92/51/798879251.db2.gz FGFXARMEVCYJAV-UHFFFAOYSA-N 3 2 295.515 3.103 20 0 CGADLP CC[C@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000093077075 798961492 /nfs/dbraw/zinc/96/14/92/798961492.db2.gz OURBAEUNCUVZQK-HNNXBMFYSA-N 2 2 289.467 3.357 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001255705098 806711720 /nfs/dbraw/zinc/71/17/20/806711720.db2.gz CXLOKMWIWBWCSV-NWDGAFQWSA-N 2 2 288.313 3.171 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000163875026 799083964 /nfs/dbraw/zinc/08/39/64/799083964.db2.gz UKHQIDFNRDZWDA-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000163875026 799083968 /nfs/dbraw/zinc/08/39/68/799083968.db2.gz UKHQIDFNRDZWDA-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC000167747439 799086137 /nfs/dbraw/zinc/08/61/37/799086137.db2.gz PXQYAYYHDWDVTC-UHFFFAOYSA-N 2 2 268.360 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740831 799242574 /nfs/dbraw/zinc/24/25/74/799242574.db2.gz HXGKYTFPVJZJFZ-ZOBUZTSGSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740831 799242577 /nfs/dbraw/zinc/24/25/77/799242577.db2.gz HXGKYTFPVJZJFZ-ZOBUZTSGSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001163362030 806745995 /nfs/dbraw/zinc/74/59/95/806745995.db2.gz LWQRRWJFGHCOTE-DZGCQCFKSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001163362030 806745999 /nfs/dbraw/zinc/74/59/99/806745999.db2.gz LWQRRWJFGHCOTE-DZGCQCFKSA-N 2 2 290.455 3.439 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389479688 799462180 /nfs/dbraw/zinc/46/21/80/799462180.db2.gz XBFXIARNLZPUEM-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389479688 799462182 /nfs/dbraw/zinc/46/21/82/799462182.db2.gz XBFXIARNLZPUEM-GPANFISMSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCCC1 ZINC000694329760 799822118 /nfs/dbraw/zinc/82/21/18/799822118.db2.gz LKTSUUQUYSTPFE-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC001255941397 806790014 /nfs/dbraw/zinc/79/00/14/806790014.db2.gz PVEPHXCQLIGSHK-CJNGLKHVSA-N 2 2 294.414 3.359 20 0 CGADLP Cc1nc(N(C)CCC[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001163598386 806790418 /nfs/dbraw/zinc/79/04/18/806790418.db2.gz SUTVGPUZWFGXNT-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001255939871 806790438 /nfs/dbraw/zinc/79/04/38/806790438.db2.gz LCRILMRCQWKBPG-CYBMUJFWSA-N 2 2 252.377 3.036 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001255945615 806792777 /nfs/dbraw/zinc/79/27/77/806792777.db2.gz LRDWQNIULUJPKT-BBRMVZONSA-N 2 2 294.414 3.359 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccccc2Cl)CC1 ZINC000714754278 800128622 /nfs/dbraw/zinc/12/86/22/800128622.db2.gz QHULIECVYXVWJG-UHFFFAOYSA-N 2 2 252.789 3.043 20 0 CGADLP COc1ccc([C@H](C)[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079362 806814630 /nfs/dbraw/zinc/81/46/30/806814630.db2.gz IGFVCONUEZOIRY-AWEZNQCLSA-N 2 2 288.435 3.315 20 0 CGADLP COc1ccc([C@H](C)[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079362 806814634 /nfs/dbraw/zinc/81/46/34/806814634.db2.gz IGFVCONUEZOIRY-AWEZNQCLSA-N 2 2 288.435 3.315 20 0 CGADLP COc1cc[nH+]cc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163761714 806819190 /nfs/dbraw/zinc/81/91/90/806819190.db2.gz USRCQNBOIVGSKS-UHFFFAOYSA-N 2 2 281.359 3.110 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@H]2CCCC(C)(C)C2)n1 ZINC000722390919 800320630 /nfs/dbraw/zinc/32/06/30/800320630.db2.gz YBDMQUYRCKNHAT-LBPRGKRZSA-N 2 2 281.469 3.263 20 0 CGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1[nH+]ccc2c1CCN2 ZINC001163897323 806847472 /nfs/dbraw/zinc/84/74/72/806847472.db2.gz KYJCXATZHNNULO-UHFFFAOYSA-N 2 2 298.777 3.106 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC001256197668 806847497 /nfs/dbraw/zinc/84/74/97/806847497.db2.gz OMHZXZMUDLDCLU-MRXNPFEDSA-N 2 2 264.388 3.351 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808674 800626803 /nfs/dbraw/zinc/62/68/03/800626803.db2.gz VDAYDZMEOXKAHS-ZWKOTPCHSA-N 2 2 299.418 3.023 20 0 CGADLP CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001256202353 806850433 /nfs/dbraw/zinc/85/04/33/806850433.db2.gz DWQPWIGSPBBTLA-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001256202353 806850439 /nfs/dbraw/zinc/85/04/39/806850439.db2.gz DWQPWIGSPBBTLA-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000932372358 800660436 /nfs/dbraw/zinc/66/04/36/800660436.db2.gz IIYPQHYCODYICS-AWEZNQCLSA-N 2 2 287.407 3.084 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520863 806908863 /nfs/dbraw/zinc/90/88/63/806908863.db2.gz VCGPITREYDKMPY-KSSFIOAISA-N 2 2 299.418 3.126 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256520863 806908866 /nfs/dbraw/zinc/90/88/66/806908866.db2.gz VCGPITREYDKMPY-KSSFIOAISA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH]n1 ZINC001116075222 802297864 /nfs/dbraw/zinc/29/78/64/802297864.db2.gz CHHALPVWNLPSOD-HNNXBMFYSA-N 2 2 298.434 3.033 20 0 CGADLP Clc1cc(Cl)cc(CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC001120020149 802725269 /nfs/dbraw/zinc/72/52/69/802725269.db2.gz KGBVXXOBDXYYGW-UHFFFAOYSA-N 2 2 298.217 3.412 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120921879 802794541 /nfs/dbraw/zinc/79/45/41/802794541.db2.gz VYALNNCOGNELGC-ZIAGYGMSSA-N 2 2 259.397 3.147 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120921879 802794543 /nfs/dbraw/zinc/79/45/43/802794543.db2.gz VYALNNCOGNELGC-ZIAGYGMSSA-N 2 2 259.397 3.147 20 0 CGADLP Nc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC001201287173 811809225 /nfs/dbraw/zinc/80/92/25/811809225.db2.gz XFDAKVYNFVXGTL-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP C[NH2+]Cc1cccc(-c2cn3cc[nH+]c3cc2C)c1F ZINC001244860581 803552254 /nfs/dbraw/zinc/55/22/54/803552254.db2.gz RBFMRSPIJJDDMX-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@H]2C1 ZINC001137293774 803711522 /nfs/dbraw/zinc/71/15/22/803711522.db2.gz ABIGPLUJVVXBHJ-VXGBXAGGSA-N 2 2 284.856 3.093 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c(F)c1F ZINC001137971197 803812909 /nfs/dbraw/zinc/81/29/09/803812909.db2.gz JMTAFYOUBDVDFL-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(F)c1F ZINC001137971197 803812916 /nfs/dbraw/zinc/81/29/16/803812916.db2.gz JMTAFYOUBDVDFL-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP CCCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC001138523573 803958077 /nfs/dbraw/zinc/95/80/77/803958077.db2.gz ILQIFLAXZABMPF-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP CCCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC001138523573 803958083 /nfs/dbraw/zinc/95/80/83/803958083.db2.gz ILQIFLAXZABMPF-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549441 803962940 /nfs/dbraw/zinc/96/29/40/803962940.db2.gz WSLDJIXCPCOIRN-SFHVURJKSA-N 2 2 297.402 3.124 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549441 803962948 /nfs/dbraw/zinc/96/29/48/803962948.db2.gz WSLDJIXCPCOIRN-SFHVURJKSA-N 2 2 297.402 3.124 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138723536 804020112 /nfs/dbraw/zinc/02/01/12/804020112.db2.gz SHHIIZSOLKJDSB-KBPBESRZSA-N 2 2 278.827 3.032 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246084656 804119131 /nfs/dbraw/zinc/11/91/31/804119131.db2.gz GJOYSDPPEIYIML-CVSAEHQPSA-N 2 2 270.436 3.271 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246090137 804122303 /nfs/dbraw/zinc/12/23/03/804122303.db2.gz FJUYJZCMKNCMSF-QBPKDAKJSA-N 2 2 276.399 3.002 20 0 CGADLP CC[C@H]1CC([NH2+]Cc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246094127 804127005 /nfs/dbraw/zinc/12/70/05/804127005.db2.gz HXTKAVMCQKKFIL-KBPBESRZSA-N 2 2 282.378 3.364 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC001246097834 804130215 /nfs/dbraw/zinc/13/02/15/804130215.db2.gz OSCMXIIKGSDSBX-SHWKFHJASA-N 2 2 270.436 3.271 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c21 ZINC001139198318 804159207 /nfs/dbraw/zinc/15/92/07/804159207.db2.gz CNWAGYNDFVZKPX-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c21 ZINC001139198318 804159211 /nfs/dbraw/zinc/15/92/11/804159211.db2.gz CNWAGYNDFVZKPX-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c21 ZINC001139198318 804159220 /nfs/dbraw/zinc/15/92/20/804159220.db2.gz CNWAGYNDFVZKPX-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c21 ZINC001139198318 804159226 /nfs/dbraw/zinc/15/92/26/804159226.db2.gz CNWAGYNDFVZKPX-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP CCCCC(CCCC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246143453 804165509 /nfs/dbraw/zinc/16/55/09/804165509.db2.gz KJIWMCAVNLWBHB-KRWDZBQOSA-N 3 2 295.515 3.199 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246149232 804169676 /nfs/dbraw/zinc/16/96/76/804169676.db2.gz UDNGROVVILMPKT-DLBZAZTESA-N 3 2 295.515 3.055 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc2ccccc2c1 ZINC001246170718 804186100 /nfs/dbraw/zinc/18/61/00/804186100.db2.gz JFLJINMIZINOML-IIYDPXPESA-N 2 2 254.377 3.241 20 0 CGADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC001246175615 804189710 /nfs/dbraw/zinc/18/97/10/804189710.db2.gz LMKKXQHBKCTCDZ-CYBMUJFWSA-N 2 2 297.240 3.026 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196283 804203194 /nfs/dbraw/zinc/20/31/94/804203194.db2.gz SFNCZTQSFMSMNS-RCCFBDPRSA-N 3 2 295.515 3.151 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC001246196283 804203202 /nfs/dbraw/zinc/20/32/02/804203202.db2.gz SFNCZTQSFMSMNS-RCCFBDPRSA-N 3 2 295.515 3.151 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197230 804204045 /nfs/dbraw/zinc/20/40/45/804204045.db2.gz ZVTKHNVMJDZJTC-CHWSQXEVSA-N 2 2 280.378 3.331 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197041 804204218 /nfs/dbraw/zinc/20/42/18/804204218.db2.gz XVHXDHUYCITXCH-IKGGRYGDSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197041 804204226 /nfs/dbraw/zinc/20/42/26/804204226.db2.gz XVHXDHUYCITXCH-IKGGRYGDSA-N 3 2 295.515 3.007 20 0 CGADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC001246198232 804205825 /nfs/dbraw/zinc/20/58/25/804205825.db2.gz NZVGISJOGOPRSG-UHFFFAOYSA-N 2 2 273.207 3.143 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246226709 804220458 /nfs/dbraw/zinc/22/04/58/804220458.db2.gz TXRREQCAZSAILE-MNOVXSKESA-N 2 2 288.769 3.238 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246229382 804221527 /nfs/dbraw/zinc/22/15/27/804221527.db2.gz KXVFEPJGFJRVQA-ZBFHGGJFSA-N 2 2 258.409 3.186 20 0 CGADLP CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246246328 804236930 /nfs/dbraw/zinc/23/69/30/804236930.db2.gz SYEBXHPRSSCQJV-YYOKVSEPSA-N 2 2 250.430 3.409 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246276547 804252648 /nfs/dbraw/zinc/25/26/48/804252648.db2.gz BYDJSTUVLPOISL-IJEWVQPXSA-N 2 2 292.398 3.160 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001246295902 804264606 /nfs/dbraw/zinc/26/46/06/804264606.db2.gz YXNXZVKLFUZWHM-CRAIPNDOSA-N 2 2 268.404 3.216 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)c2cccc(Cl)c2)C[NH2+]1 ZINC001246312528 804274265 /nfs/dbraw/zinc/27/42/65/804274265.db2.gz SKLSGEGKVWCYBD-FZMZJTMJSA-N 2 2 266.816 3.305 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@H]2C1 ZINC001139801950 804284522 /nfs/dbraw/zinc/28/45/22/804284522.db2.gz HJWLAMFDWXLTFX-HUUCEWRRSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335188 804289780 /nfs/dbraw/zinc/28/97/80/804289780.db2.gz HBDUOYIZAIIXJJ-IAGOWNOFSA-N 2 2 292.492 3.083 20 0 CGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246355116 804301676 /nfs/dbraw/zinc/30/16/76/804301676.db2.gz IOSQZDJXBCFXIH-ZYSHUDEJSA-N 2 2 293.414 3.236 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883173 804309854 /nfs/dbraw/zinc/30/98/54/804309854.db2.gz FWLZHFSSLAUKLJ-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883173 804309880 /nfs/dbraw/zinc/30/98/80/804309880.db2.gz FWLZHFSSLAUKLJ-FUHWJXTLSA-N 2 2 270.420 3.090 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C)cc1C ZINC001246378528 804311793 /nfs/dbraw/zinc/31/17/93/804311793.db2.gz WKRWVHWOSDWPLJ-ZMSDIMECSA-N 2 2 260.425 3.485 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410150 804324795 /nfs/dbraw/zinc/32/47/95/804324795.db2.gz XXFYNKAJTWCIAY-ZFWWWQNUSA-N 2 2 294.389 3.431 20 0 CGADLP Fc1cccc([C@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246449949 804336834 /nfs/dbraw/zinc/33/68/34/804336834.db2.gz KJDKUMQAEHWJFM-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP COC[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140021997 804352624 /nfs/dbraw/zinc/35/26/24/804352624.db2.gz WUEBYFMAMRKOLU-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP COC[C@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140021997 804352632 /nfs/dbraw/zinc/35/26/32/804352632.db2.gz WUEBYFMAMRKOLU-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001140021018 804353258 /nfs/dbraw/zinc/35/32/58/804353258.db2.gz HNWIUKLRWNWJGN-KRWDZBQOSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001140021018 804353267 /nfs/dbraw/zinc/35/32/67/804353267.db2.gz HNWIUKLRWNWJGN-KRWDZBQOSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H]1C ZINC001140022465 804355505 /nfs/dbraw/zinc/35/55/05/804355505.db2.gz GRXNNERMMLCHBG-ZDUSSCGKSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H]1C ZINC001140022465 804355511 /nfs/dbraw/zinc/35/55/11/804355511.db2.gz GRXNNERMMLCHBG-ZDUSSCGKSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(C)CC1 ZINC001140023647 804357002 /nfs/dbraw/zinc/35/70/02/804357002.db2.gz UFEXSIHVKGHSNK-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)Cc2ccc(C)cc2)c1 ZINC001246513011 804367628 /nfs/dbraw/zinc/36/76/28/804367628.db2.gz UPILVAJANZZQBM-DNVCBOLYSA-N 2 2 298.430 3.224 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)CCC(C)C)c1 ZINC001246508826 804368546 /nfs/dbraw/zinc/36/85/46/804368546.db2.gz FEKOSMXCLXGFFH-CJNGLKHVSA-N 2 2 264.413 3.109 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001246540981 804391468 /nfs/dbraw/zinc/39/14/68/804391468.db2.gz NDVKKOIMDPBRCK-GJZGRUSLSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001246540981 804391474 /nfs/dbraw/zinc/39/14/74/804391474.db2.gz NDVKKOIMDPBRCK-GJZGRUSLSA-N 2 2 278.465 3.289 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588839 804431101 /nfs/dbraw/zinc/43/11/01/804431101.db2.gz LEODFCZXHIORTC-XLWJZTARSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588839 804431106 /nfs/dbraw/zinc/43/11/06/804431106.db2.gz LEODFCZXHIORTC-XLWJZTARSA-N 2 2 274.399 3.068 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589983 804432299 /nfs/dbraw/zinc/43/22/99/804432299.db2.gz QSYITTCTLIUTCA-KBUPBQIOSA-N 2 2 274.399 3.069 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589983 804432305 /nfs/dbraw/zinc/43/23/05/804432305.db2.gz QSYITTCTLIUTCA-KBUPBQIOSA-N 2 2 274.399 3.069 20 0 CGADLP Cc1ccc(Cl)nc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140447989 804437628 /nfs/dbraw/zinc/43/76/28/804437628.db2.gz CTCZKFNPQKQKDJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1ccc(Cl)nc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140447989 804437632 /nfs/dbraw/zinc/43/76/32/804437632.db2.gz CTCZKFNPQKQKDJ-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604052 804440666 /nfs/dbraw/zinc/44/06/66/804440666.db2.gz MXMXVLXRVDIEIG-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604052 804440672 /nfs/dbraw/zinc/44/06/72/804440672.db2.gz MXMXVLXRVDIEIG-CZUORRHYSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618287 804452444 /nfs/dbraw/zinc/45/24/44/804452444.db2.gz IWWYTRXOSOFHDO-WCZJQEMASA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618287 804452447 /nfs/dbraw/zinc/45/24/47/804452447.db2.gz IWWYTRXOSOFHDO-WCZJQEMASA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631044 804462962 /nfs/dbraw/zinc/46/29/62/804462962.db2.gz OHAMWWDPISJEPV-IFUGULHKSA-N 2 2 299.245 3.218 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631044 804462965 /nfs/dbraw/zinc/46/29/65/804462965.db2.gz OHAMWWDPISJEPV-IFUGULHKSA-N 2 2 299.245 3.218 20 0 CGADLP CCCC[C@H](CC(C)C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649019 804477793 /nfs/dbraw/zinc/47/77/93/804477793.db2.gz ODSOZNUJOBNNIJ-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CCCC[C@H](CC(C)C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649019 804477798 /nfs/dbraw/zinc/47/77/98/804477798.db2.gz ODSOZNUJOBNNIJ-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246662502 804485649 /nfs/dbraw/zinc/48/56/49/804485649.db2.gz JWMBINCLVRINGY-RYQLBKOJSA-N 2 2 272.436 3.382 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246662502 804485653 /nfs/dbraw/zinc/48/56/53/804485653.db2.gz JWMBINCLVRINGY-RYQLBKOJSA-N 2 2 272.436 3.382 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246678293 804492859 /nfs/dbraw/zinc/49/28/59/804492859.db2.gz LMCCHEIOBLISPG-ZACQAIPSSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246678293 804492866 /nfs/dbraw/zinc/49/28/66/804492866.db2.gz LMCCHEIOBLISPG-ZACQAIPSSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775462 804503899 /nfs/dbraw/zinc/50/38/99/804503899.db2.gz IQEDBNSMVAFQIW-BBRMVZONSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775462 804503900 /nfs/dbraw/zinc/50/39/00/804503900.db2.gz IQEDBNSMVAFQIW-BBRMVZONSA-N 2 2 254.377 3.022 20 0 CGADLP COc1ccc(C2CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246790375 804513619 /nfs/dbraw/zinc/51/36/19/804513619.db2.gz WEMAKRKUMJEZKQ-YOEHRIQHSA-N 2 2 288.435 3.015 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@H]1C ZINC001140801047 804521524 /nfs/dbraw/zinc/52/15/24/804521524.db2.gz AICPUQAQPWHDLW-STQMWFEESA-N 2 2 257.381 3.431 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC[C@@H]1C ZINC001140801047 804521527 /nfs/dbraw/zinc/52/15/27/804521527.db2.gz AICPUQAQPWHDLW-STQMWFEESA-N 2 2 257.381 3.431 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830311 804540420 /nfs/dbraw/zinc/54/04/20/804540420.db2.gz TVDDSLYKWXXOQM-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830311 804540425 /nfs/dbraw/zinc/54/04/25/804540425.db2.gz TVDDSLYKWXXOQM-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP CC[N@H+]([C@H](C)CSc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246852328 804561678 /nfs/dbraw/zinc/56/16/78/804561678.db2.gz CSNMWVTXURBKTE-HIFRSBDPSA-N 2 2 296.455 3.380 20 0 CGADLP CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246852328 804561683 /nfs/dbraw/zinc/56/16/83/804561683.db2.gz CSNMWVTXURBKTE-HIFRSBDPSA-N 2 2 296.455 3.380 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246948123 804614667 /nfs/dbraw/zinc/61/46/67/804614667.db2.gz IDOBNZHEJQAMEG-SJLPKXTDSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246948123 804614672 /nfs/dbraw/zinc/61/46/72/804614672.db2.gz IDOBNZHEJQAMEG-SJLPKXTDSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)C[N@H+]([C@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001246951631 804616546 /nfs/dbraw/zinc/61/65/46/804616546.db2.gz FAAZPKKEZAUXSD-VXGBXAGGSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)C[N@@H+]([C@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001246951631 804616550 /nfs/dbraw/zinc/61/65/50/804616550.db2.gz FAAZPKKEZAUXSD-VXGBXAGGSA-N 2 2 266.351 3.037 20 0 CGADLP COc1cc2[nH+]c(CC[NH2+]C3CCCCC3)[nH]c2cc1C ZINC001247009782 804638987 /nfs/dbraw/zinc/63/89/87/804638987.db2.gz DMQGKFPERSKFTN-UHFFFAOYSA-N 2 2 287.407 3.345 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)ccc2[nH+]1 ZINC001143028218 804796199 /nfs/dbraw/zinc/79/61/99/804796199.db2.gz XVHCIXIRMDCWCV-GJZGRUSLSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)ccc2[nH+]1 ZINC001143028218 804796203 /nfs/dbraw/zinc/79/62/03/804796203.db2.gz XVHCIXIRMDCWCV-GJZGRUSLSA-N 2 2 255.365 3.099 20 0 CGADLP COc1ccc2ccc(NC[C@H]3CCC[NH2+]C[C@H]3C)[nH+]c2c1 ZINC001155024154 805524692 /nfs/dbraw/zinc/52/46/92/805524692.db2.gz GOEISWMWVWUIDG-UKRRQHHQSA-N 2 2 299.418 3.291 20 0 CGADLP Cc1ccc2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)ccc2c1 ZINC001155054226 805529069 /nfs/dbraw/zinc/52/90/69/805529069.db2.gz VMNWPQAGZOJLMB-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115080 805541133 /nfs/dbraw/zinc/54/11/33/805541133.db2.gz JNIZPSUQLMQLAA-KRWDZBQOSA-N 2 2 287.382 3.437 20 0 CGADLP c1[nH+]cn2cc(Nc3ccc[nH+]c3N3CCCC3)ccc12 ZINC001250323464 805568091 /nfs/dbraw/zinc/56/80/91/805568091.db2.gz GDRQUUXNLZKPAQ-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2CCCC2)cc1 ZINC001257346328 807117508 /nfs/dbraw/zinc/11/75/08/807117508.db2.gz WKBLSJDWGNBVCG-SFHVURJKSA-N 2 2 272.436 3.226 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001257432185 807153854 /nfs/dbraw/zinc/15/38/54/807153854.db2.gz SQBNXVZIYOUDMV-CQSZACIVSA-N 2 2 278.415 3.487 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257462893 807168187 /nfs/dbraw/zinc/16/81/87/807168187.db2.gz GRUPNDUCZIJMKL-CHWSQXEVSA-N 2 2 251.418 3.470 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2[nH+]cn(C)c2c1 ZINC001167751118 807240430 /nfs/dbraw/zinc/24/04/30/807240430.db2.gz GDQPQVVYFVHRDG-CQSZACIVSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2[nH+]cn(C)c2c1 ZINC001167751118 807240435 /nfs/dbraw/zinc/24/04/35/807240435.db2.gz GDQPQVVYFVHRDG-CQSZACIVSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@@H]1CC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@@H](C)C1 ZINC001258157069 807325970 /nfs/dbraw/zinc/32/59/70/807325970.db2.gz YURZMHPHEJDUIM-DZKIICNBSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@@H](C)C1 ZINC001258157069 807325979 /nfs/dbraw/zinc/32/59/79/807325979.db2.gz YURZMHPHEJDUIM-DZKIICNBSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168190603 807340437 /nfs/dbraw/zinc/34/04/37/807340437.db2.gz ARTNHXCVDVJGQU-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168190603 807340446 /nfs/dbraw/zinc/34/04/46/807340446.db2.gz ARTNHXCVDVJGQU-AWEZNQCLSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1C[C@H](C)C[C@@H](C)C1 ZINC001258175615 807341255 /nfs/dbraw/zinc/34/12/55/807341255.db2.gz UZFRTDFKYZGJFJ-ZIAGYGMSSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1C[C@H](C)C[C@@H](C)C1 ZINC001258175615 807341261 /nfs/dbraw/zinc/34/12/61/807341261.db2.gz UZFRTDFKYZGJFJ-ZIAGYGMSSA-N 2 2 252.446 3.227 20 0 CGADLP CC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001168215029 807350775 /nfs/dbraw/zinc/35/07/75/807350775.db2.gz LLNQWWVIDPUERR-RJSVMHHESA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001168215029 807350779 /nfs/dbraw/zinc/35/07/79/807350779.db2.gz LLNQWWVIDPUERR-RJSVMHHESA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001168215029 807350790 /nfs/dbraw/zinc/35/07/90/807350790.db2.gz LLNQWWVIDPUERR-RJSVMHHESA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001168215029 807350798 /nfs/dbraw/zinc/35/07/98/807350798.db2.gz LLNQWWVIDPUERR-RJSVMHHESA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001168221709 807354490 /nfs/dbraw/zinc/35/44/90/807354490.db2.gz MIJKPDRGQAXSPI-UHFFFAOYSA-N 2 2 273.424 3.219 20 0 CGADLP CC(C)[NH+]1CC(Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1 ZINC001168313673 807379157 /nfs/dbraw/zinc/37/91/57/807379157.db2.gz BTRBXLJEKPJJKS-UHFFFAOYSA-N 2 2 298.312 3.086 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168399462 807405221 /nfs/dbraw/zinc/40/52/21/807405221.db2.gz BGUUZQLCEYMKBQ-LJQANCHMSA-N 2 2 298.405 3.144 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168399462 807405223 /nfs/dbraw/zinc/40/52/23/807405223.db2.gz BGUUZQLCEYMKBQ-LJQANCHMSA-N 2 2 298.405 3.144 20 0 CGADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001168601233 807453967 /nfs/dbraw/zinc/45/39/67/807453967.db2.gz OJEGOBFTJNFJKP-ROUUACIJSA-N 2 2 298.434 3.216 20 0 CGADLP CC1(C)CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258597285 807496856 /nfs/dbraw/zinc/49/68/56/807496856.db2.gz WVAGPEKQSFUNCV-INIZCTEOSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258671737 807537328 /nfs/dbraw/zinc/53/73/28/807537328.db2.gz CPPKXLRNXJBXOK-WDEREUQCSA-N 2 2 289.250 3.464 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC(C)(C)C1 ZINC001258701046 807554911 /nfs/dbraw/zinc/55/49/11/807554911.db2.gz CADVAFOIKOEPCZ-UGUYLWEFSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC(C)(C)C1 ZINC001258701046 807554913 /nfs/dbraw/zinc/55/49/13/807554913.db2.gz CADVAFOIKOEPCZ-UGUYLWEFSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC(C)(C)C1 ZINC001258701046 807554918 /nfs/dbraw/zinc/55/49/18/807554918.db2.gz CADVAFOIKOEPCZ-UGUYLWEFSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC(C)(C)C1 ZINC001258701046 807554921 /nfs/dbraw/zinc/55/49/21/807554921.db2.gz CADVAFOIKOEPCZ-UGUYLWEFSA-N 2 2 264.457 3.227 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258703594 807559273 /nfs/dbraw/zinc/55/92/73/807559273.db2.gz JLEGNTBPXVCJLQ-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258703594 807559275 /nfs/dbraw/zinc/55/92/75/807559275.db2.gz JLEGNTBPXVCJLQ-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001169090160 807572318 /nfs/dbraw/zinc/57/23/18/807572318.db2.gz HXRHLCXUZXNWEH-MUJYYYPQSA-N 2 2 297.402 3.056 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001169090160 807572322 /nfs/dbraw/zinc/57/23/22/807572322.db2.gz HXRHLCXUZXNWEH-MUJYYYPQSA-N 2 2 297.402 3.056 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[NH+]1CCCCC1 ZINC001258736699 807583391 /nfs/dbraw/zinc/58/33/91/807583391.db2.gz YVSFSMIROOHVBN-CQSZACIVSA-N 2 2 280.843 3.347 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143338 807590094 /nfs/dbraw/zinc/59/00/94/807590094.db2.gz FFEAJKWWMKOTEL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143338 807590097 /nfs/dbraw/zinc/59/00/97/807590097.db2.gz FFEAJKWWMKOTEL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143338 807590103 /nfs/dbraw/zinc/59/01/03/807590103.db2.gz FFEAJKWWMKOTEL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143338 807590106 /nfs/dbraw/zinc/59/01/06/807590106.db2.gz FFEAJKWWMKOTEL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP CN(C)c1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169150854 807594185 /nfs/dbraw/zinc/59/41/85/807594185.db2.gz DWFHNINDABTHEX-GUYCJALGSA-N 2 2 290.455 3.103 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794312 807617034 /nfs/dbraw/zinc/61/70/34/807617034.db2.gz KJNHAJUZQOLDJA-JKSUJKDBSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794312 807617037 /nfs/dbraw/zinc/61/70/37/807617037.db2.gz KJNHAJUZQOLDJA-JKSUJKDBSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258800800 807621286 /nfs/dbraw/zinc/62/12/86/807621286.db2.gz XEDOALUCQRITLC-BBWFWOEESA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258800800 807621288 /nfs/dbraw/zinc/62/12/88/807621288.db2.gz XEDOALUCQRITLC-BBWFWOEESA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258800803 807621330 /nfs/dbraw/zinc/62/13/30/807621330.db2.gz XEDOALUCQRITLC-YESZJQIVSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258800803 807621332 /nfs/dbraw/zinc/62/13/32/807621332.db2.gz XEDOALUCQRITLC-YESZJQIVSA-N 2 2 284.488 3.244 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001258908595 807672682 /nfs/dbraw/zinc/67/26/82/807672682.db2.gz YAAZNKRZJQHNSL-ZDUSSCGKSA-N 2 2 262.388 3.228 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001258908595 807672683 /nfs/dbraw/zinc/67/26/83/807672683.db2.gz YAAZNKRZJQHNSL-ZDUSSCGKSA-N 2 2 262.388 3.228 20 0 CGADLP CCc1ccc[nH+]c1Nc1cccc(OCC[NH+](C)C)c1 ZINC001212804122 815142721 /nfs/dbraw/zinc/14/27/21/815142721.db2.gz NCSOQFAOLDOGQC-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP Cc1ccc(Nc2cccc(OCC[NH+](C)C)c2)c(C)[nH+]1 ZINC001212803149 815142898 /nfs/dbraw/zinc/14/28/98/815142898.db2.gz QZWRZWOCWALZHN-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC001261423819 807742919 /nfs/dbraw/zinc/74/29/19/807742919.db2.gz FTSYRRCXVZTCIP-QWHCGFSZSA-N 2 2 289.448 3.459 20 0 CGADLP Fc1cccc2c1C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171000454 807955095 /nfs/dbraw/zinc/95/50/95/807955095.db2.gz HIKJDZYVMOLCPQ-GJZGRUSLSA-N 2 2 299.393 3.219 20 0 CGADLP C[C@H]1CCCCN1c1cccc(NC[C@@H]2CCCC[NH2+]2)[nH+]1 ZINC001171331142 808028294 /nfs/dbraw/zinc/02/82/94/808028294.db2.gz ZMZMEABXDPOWOT-GJZGRUSLSA-N 2 2 288.439 3.014 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337569 808032239 /nfs/dbraw/zinc/03/22/39/808032239.db2.gz SOQPVEAUMCTNQG-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337569 808032245 /nfs/dbraw/zinc/03/22/45/808032245.db2.gz SOQPVEAUMCTNQG-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP Fc1cccc2c1CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171397140 808044977 /nfs/dbraw/zinc/04/49/77/808044977.db2.gz PEBLPPSNNBWFSN-INIZCTEOSA-N 2 2 290.426 3.149 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC001171658024 808113683 /nfs/dbraw/zinc/11/36/83/808113683.db2.gz NGTUWHQVIBDNPQ-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC001171658024 808113688 /nfs/dbraw/zinc/11/36/88/808113688.db2.gz NGTUWHQVIBDNPQ-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172324403 808233033 /nfs/dbraw/zinc/23/30/33/808233033.db2.gz MIEIOUMPIHYKEP-ZACQAIPSSA-N 2 2 284.488 3.290 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)CCOC(C)C)C1 ZINC001172462077 808331904 /nfs/dbraw/zinc/33/19/04/808331904.db2.gz YRMMLYKEOOACEH-JKSUJKDBSA-N 2 2 292.423 3.047 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)CCOC(C)C)C1 ZINC001172462077 808331913 /nfs/dbraw/zinc/33/19/13/808331913.db2.gz YRMMLYKEOOACEH-JKSUJKDBSA-N 2 2 292.423 3.047 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001172827523 808449249 /nfs/dbraw/zinc/44/92/49/808449249.db2.gz CAUAQIQKUHUKLJ-UXHICEINSA-N 2 2 298.474 3.316 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001172827523 808449252 /nfs/dbraw/zinc/44/92/52/808449252.db2.gz CAUAQIQKUHUKLJ-UXHICEINSA-N 2 2 298.474 3.316 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172866539 808469495 /nfs/dbraw/zinc/46/94/95/808469495.db2.gz UMHZFAUUEFOMMW-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172866539 808469498 /nfs/dbraw/zinc/46/94/98/808469498.db2.gz UMHZFAUUEFOMMW-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1CC[NH3+] ZINC001172874705 808472355 /nfs/dbraw/zinc/47/23/55/808472355.db2.gz IARQWLVJHIUBOI-NSHDSACASA-N 2 2 295.839 3.391 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173267497 808572508 /nfs/dbraw/zinc/57/25/08/808572508.db2.gz MLEUHQFXFLDCRE-WBVHZDCISA-N 2 2 287.451 3.466 20 0 CGADLP CCSC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173295882 808595071 /nfs/dbraw/zinc/59/50/71/808595071.db2.gz OXBDLMOXRROWIS-AWEZNQCLSA-N 2 2 293.480 3.029 20 0 CGADLP Cc1c[nH+]ccc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174380629 808984532 /nfs/dbraw/zinc/98/45/32/808984532.db2.gz GPPDAEDEXUGDAL-UHFFFAOYSA-N 2 2 266.348 3.486 20 0 CGADLP C1CCC([NH+]2CCO[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001277930578 809105844 /nfs/dbraw/zinc/10/58/44/809105844.db2.gz OWHPOYLDFPNCIT-SFHVURJKSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCO[C@]3(CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001277930578 809105847 /nfs/dbraw/zinc/10/58/47/809105847.db2.gz OWHPOYLDFPNCIT-SFHVURJKSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCC[C@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001277930578 809105850 /nfs/dbraw/zinc/10/58/50/809105850.db2.gz OWHPOYLDFPNCIT-SFHVURJKSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCC[C@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001277930578 809105852 /nfs/dbraw/zinc/10/58/52/809105852.db2.gz OWHPOYLDFPNCIT-SFHVURJKSA-N 2 2 292.467 3.038 20 0 CGADLP CN(c1ccc(C[NH+]2CCCCC2)cc1)c1[nH+]cccc1N ZINC001175361070 809378132 /nfs/dbraw/zinc/37/81/32/809378132.db2.gz DFNYAIHZTUEYQU-UHFFFAOYSA-N 2 2 296.418 3.418 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001175521735 809441519 /nfs/dbraw/zinc/44/15/19/809441519.db2.gz AJFHFWSGIXMSAH-CYBMUJFWSA-N 2 2 293.414 3.272 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001175521735 809441521 /nfs/dbraw/zinc/44/15/21/809441521.db2.gz AJFHFWSGIXMSAH-CYBMUJFWSA-N 2 2 293.414 3.272 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=CCC[N@@H+](C)C3)ccc12 ZINC001175581063 809461649 /nfs/dbraw/zinc/46/16/49/809461649.db2.gz XMTNSKJQUFYOMZ-UHFFFAOYSA-N 2 2 253.349 3.175 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=CCC[N@H+](C)C3)ccc12 ZINC001175581063 809461653 /nfs/dbraw/zinc/46/16/53/809461653.db2.gz XMTNSKJQUFYOMZ-UHFFFAOYSA-N 2 2 253.349 3.175 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCF)C1 ZINC001176991585 809773413 /nfs/dbraw/zinc/77/34/13/809773413.db2.gz SCXIUNUSWLWHPV-ZDUSSCGKSA-N 2 2 267.392 3.177 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCF)C1 ZINC001176991585 809773417 /nfs/dbraw/zinc/77/34/17/809773417.db2.gz SCXIUNUSWLWHPV-ZDUSSCGKSA-N 2 2 267.392 3.177 20 0 CGADLP CC(C)(C[NH2+]CC[NH+]1CCCCCC1)c1ccccc1 ZINC001177236260 809789327 /nfs/dbraw/zinc/78/93/27/809789327.db2.gz OBOXSNUQKPUCAS-UHFFFAOYSA-N 2 2 274.452 3.430 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001177328620 809794300 /nfs/dbraw/zinc/79/43/00/809794300.db2.gz PYXCPKWERPTZGP-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001179168839 809907147 /nfs/dbraw/zinc/90/71/47/809907147.db2.gz KMLPORWURKEMHH-WBVHZDCISA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001179168839 809907153 /nfs/dbraw/zinc/90/71/53/809907153.db2.gz KMLPORWURKEMHH-WBVHZDCISA-N 2 2 262.441 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC001182634956 810118509 /nfs/dbraw/zinc/11/85/09/810118509.db2.gz ULEMDSRTCYMUEF-DRRXZNNHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC001182634956 810118510 /nfs/dbraw/zinc/11/85/10/810118510.db2.gz ULEMDSRTCYMUEF-DRRXZNNHSA-N 2 2 264.457 3.418 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918990 810130568 /nfs/dbraw/zinc/13/05/68/810130568.db2.gz UNRYZHRRGYDTLM-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918990 810130571 /nfs/dbraw/zinc/13/05/71/810130571.db2.gz UNRYZHRRGYDTLM-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C1CC1 ZINC001191494891 810718942 /nfs/dbraw/zinc/71/89/42/810718942.db2.gz BFXIFVOPUWDYRS-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C1CC1 ZINC001191494891 810718951 /nfs/dbraw/zinc/71/89/51/810718951.db2.gz BFXIFVOPUWDYRS-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C1CC1 ZINC001191494891 810718958 /nfs/dbraw/zinc/71/89/58/810718958.db2.gz BFXIFVOPUWDYRS-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C1CC1 ZINC001191494891 810718962 /nfs/dbraw/zinc/71/89/62/810718962.db2.gz BFXIFVOPUWDYRS-CVEARBPZSA-N 2 2 264.457 3.371 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194280293 811045855 /nfs/dbraw/zinc/04/58/55/811045855.db2.gz TUDBUCXYFLFXAU-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194280293 811045860 /nfs/dbraw/zinc/04/58/60/811045860.db2.gz TUDBUCXYFLFXAU-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001198791255 811543678 /nfs/dbraw/zinc/54/36/78/811543678.db2.gz UKFXBNBZWJCZIX-AWEZNQCLSA-N 2 2 261.413 3.228 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001198791255 811543685 /nfs/dbraw/zinc/54/36/85/811543685.db2.gz UKFXBNBZWJCZIX-AWEZNQCLSA-N 2 2 261.413 3.228 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001199208196 811564127 /nfs/dbraw/zinc/56/41/27/811564127.db2.gz MDGSPAFXQYVZRI-LLVKDONJSA-N 2 2 297.374 3.376 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001199268384 811568008 /nfs/dbraw/zinc/56/80/08/811568008.db2.gz WSAMWJSOBQJXBD-QKPAOTATSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001199268384 811568012 /nfs/dbraw/zinc/56/80/12/811568012.db2.gz WSAMWJSOBQJXBD-QKPAOTATSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC001199742338 811594659 /nfs/dbraw/zinc/59/46/59/811594659.db2.gz AEYJIDNJTPTCDT-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC001199742338 811594664 /nfs/dbraw/zinc/59/46/64/811594664.db2.gz AEYJIDNJTPTCDT-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200631045 811721490 /nfs/dbraw/zinc/72/14/90/811721490.db2.gz OZICJDUMSXECGC-NEPJUHHUSA-N 2 2 263.410 3.458 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC001203284527 812291700 /nfs/dbraw/zinc/29/17/00/812291700.db2.gz GZWIDHIONSGIJC-UHFFFAOYSA-N 2 2 262.397 3.118 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C2CCCC2)CC1 ZINC001203284527 812291706 /nfs/dbraw/zinc/29/17/06/812291706.db2.gz GZWIDHIONSGIJC-UHFFFAOYSA-N 2 2 262.397 3.118 20 0 CGADLP Cc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c(C)[nH+]1 ZINC001203379624 812334762 /nfs/dbraw/zinc/33/47/62/812334762.db2.gz DFKDAMNKNLBSSJ-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)c(C)[nH+]1 ZINC001203379624 812334766 /nfs/dbraw/zinc/33/47/66/812334766.db2.gz DFKDAMNKNLBSSJ-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP COc1ccc2c(c1)[nH+]ccc2-n1c[nH+]c2cccc(N)c21 ZINC001203525921 812385592 /nfs/dbraw/zinc/38/55/92/812385592.db2.gz ILJZHIPYSNNBKD-UHFFFAOYSA-N 2 2 290.326 3.165 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001203660384 812419221 /nfs/dbraw/zinc/41/92/21/812419221.db2.gz HOODQTRDDTXTGF-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP Cc1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203712899 812437611 /nfs/dbraw/zinc/43/76/11/812437611.db2.gz NGHVMYZUVQREAB-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203712899 812437606 /nfs/dbraw/zinc/43/76/06/812437606.db2.gz NGHVMYZUVQREAB-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1C ZINC001204354293 812617908 /nfs/dbraw/zinc/61/79/08/812617908.db2.gz BJCZUUNPHFDHGH-UHFFFAOYSA-N 2 2 272.436 3.362 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1C ZINC001204354293 812617911 /nfs/dbraw/zinc/61/79/11/812617911.db2.gz BJCZUUNPHFDHGH-UHFFFAOYSA-N 2 2 272.436 3.362 20 0 CGADLP CC(C)c1cc(C[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC001204646640 812700294 /nfs/dbraw/zinc/70/02/94/812700294.db2.gz YTUWDRCGTBHJQR-UHFFFAOYSA-N 2 2 266.816 3.387 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204783089 812735086 /nfs/dbraw/zinc/73/50/86/812735086.db2.gz OLTYDPWKMLYINQ-IBGZPJMESA-N 2 2 278.399 3.181 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204783089 812735091 /nfs/dbraw/zinc/73/50/91/812735091.db2.gz OLTYDPWKMLYINQ-IBGZPJMESA-N 2 2 278.399 3.181 20 0 CGADLP CCNc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC001204916616 812774248 /nfs/dbraw/zinc/77/42/48/812774248.db2.gz RJOZOKQUFQHDAK-UHFFFAOYSA-N 2 2 275.440 3.081 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204924983 812778091 /nfs/dbraw/zinc/77/80/91/812778091.db2.gz HVFDUZOJCIYWOV-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204924983 812778097 /nfs/dbraw/zinc/77/80/97/812778097.db2.gz HVFDUZOJCIYWOV-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204945089 812791161 /nfs/dbraw/zinc/79/11/61/812791161.db2.gz FRNMSHDJXILDNP-KRWDZBQOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204945089 812791163 /nfs/dbraw/zinc/79/11/63/812791163.db2.gz FRNMSHDJXILDNP-KRWDZBQOSA-N 2 2 276.424 3.095 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204945810 812792181 /nfs/dbraw/zinc/79/21/81/812792181.db2.gz JEFNXQFSFDNRET-KRWDZBQOSA-N 2 2 260.425 3.198 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204945810 812792184 /nfs/dbraw/zinc/79/21/84/812792184.db2.gz JEFNXQFSFDNRET-KRWDZBQOSA-N 2 2 260.425 3.198 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087517 812855317 /nfs/dbraw/zinc/85/53/17/812855317.db2.gz FPYKMSPPGIWKRG-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087517 812855327 /nfs/dbraw/zinc/85/53/27/812855327.db2.gz FPYKMSPPGIWKRG-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001205182974 812900462 /nfs/dbraw/zinc/90/04/62/812900462.db2.gz UBUVUGWOKBXNBR-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c2)cc1 ZINC001205182974 812900467 /nfs/dbraw/zinc/90/04/67/812900467.db2.gz UBUVUGWOKBXNBR-AUUYWEPGSA-N 2 2 296.414 3.284 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205266688 812922532 /nfs/dbraw/zinc/92/25/32/812922532.db2.gz WGRTUALAXFBEJR-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC001205266688 812922536 /nfs/dbraw/zinc/92/25/36/812922536.db2.gz WGRTUALAXFBEJR-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205331511 812958685 /nfs/dbraw/zinc/95/86/85/812958685.db2.gz HCHILOAUSCVLMD-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205331511 812958690 /nfs/dbraw/zinc/95/86/90/812958690.db2.gz HCHILOAUSCVLMD-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001205330963 812959637 /nfs/dbraw/zinc/95/96/37/812959637.db2.gz BDQQZJYRYXBJSN-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccsc2c1 ZINC001205330963 812959643 /nfs/dbraw/zinc/95/96/43/812959643.db2.gz BDQQZJYRYXBJSN-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001205650569 813042379 /nfs/dbraw/zinc/04/23/79/813042379.db2.gz OTJUNJGDIMCUHY-WCVJEAGWSA-N 2 2 264.457 3.133 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001205650569 813042387 /nfs/dbraw/zinc/04/23/87/813042387.db2.gz OTJUNJGDIMCUHY-WCVJEAGWSA-N 2 2 264.457 3.133 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805555 813085654 /nfs/dbraw/zinc/08/56/54/813085654.db2.gz RBADMECHIHDROE-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805555 813085659 /nfs/dbraw/zinc/08/56/59/813085659.db2.gz RBADMECHIHDROE-RDJZCZTQSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H]1[NH3+] ZINC001206049406 813182077 /nfs/dbraw/zinc/18/20/77/813182077.db2.gz MJGXRDYURDRFOG-AUUYWEPGSA-N 2 2 296.414 3.228 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C[C@H]1[NH3+] ZINC001206049406 813182082 /nfs/dbraw/zinc/18/20/82/813182082.db2.gz MJGXRDYURDRFOG-AUUYWEPGSA-N 2 2 296.414 3.228 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Cl ZINC001206198179 813235903 /nfs/dbraw/zinc/23/59/03/813235903.db2.gz LJBOKPUPUHRANN-CHWSQXEVSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Cl ZINC001206198179 813235909 /nfs/dbraw/zinc/23/59/09/813235909.db2.gz LJBOKPUPUHRANN-CHWSQXEVSA-N 2 2 288.769 3.049 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206352250 813300285 /nfs/dbraw/zinc/30/02/85/813300285.db2.gz RYZUKBPHLJOOLB-KRWDZBQOSA-N 2 2 294.414 3.127 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206352250 813300291 /nfs/dbraw/zinc/30/02/91/813300291.db2.gz RYZUKBPHLJOOLB-KRWDZBQOSA-N 2 2 294.414 3.127 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc(C)c1F ZINC001206361270 813302738 /nfs/dbraw/zinc/30/27/38/813302738.db2.gz HHLWXEJBAIYRRF-MRXNPFEDSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc(C)c1F ZINC001206361270 813302748 /nfs/dbraw/zinc/30/27/48/813302748.db2.gz HHLWXEJBAIYRRF-MRXNPFEDSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206369773 813305084 /nfs/dbraw/zinc/30/50/84/813305084.db2.gz HWTGCYOSQHKYRC-INIZCTEOSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206369773 813305090 /nfs/dbraw/zinc/30/50/90/813305090.db2.gz HWTGCYOSQHKYRC-INIZCTEOSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001206575734 813359694 /nfs/dbraw/zinc/35/96/94/813359694.db2.gz XMHFHTMFGLCSEB-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(F)c1 ZINC001206575734 813359703 /nfs/dbraw/zinc/35/97/03/813359703.db2.gz XMHFHTMFGLCSEB-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C[C@@H]1OC ZINC001206661383 813390773 /nfs/dbraw/zinc/39/07/73/813390773.db2.gz VXLWPIZNIIDCJL-ZACQAIPSSA-N 2 2 296.499 3.290 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C[C@H]1OC ZINC001206661382 813391980 /nfs/dbraw/zinc/39/19/80/813391980.db2.gz VXLWPIZNIIDCJL-GVDBMIGSSA-N 2 2 296.499 3.290 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC001206795152 813438114 /nfs/dbraw/zinc/43/81/14/813438114.db2.gz PSRZVGLSWCCMFA-QGZVFWFLSA-N 2 2 285.391 3.074 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC001206795152 813438116 /nfs/dbraw/zinc/43/81/16/813438116.db2.gz PSRZVGLSWCCMFA-QGZVFWFLSA-N 2 2 285.391 3.074 20 0 CGADLP C[C@@H](C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001207905073 813669125 /nfs/dbraw/zinc/66/91/25/813669125.db2.gz HIAWIPAOTXTVID-INIZCTEOSA-N 2 2 284.447 3.208 20 0 CGADLP C[C@@H](C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001207905073 813669127 /nfs/dbraw/zinc/66/91/27/813669127.db2.gz HIAWIPAOTXTVID-INIZCTEOSA-N 2 2 284.447 3.208 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001208136423 813702626 /nfs/dbraw/zinc/70/26/26/813702626.db2.gz WEUDWAUNGJVQRC-OOUWWJCLSA-N 2 2 299.462 3.192 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001208171328 813726451 /nfs/dbraw/zinc/72/64/51/813726451.db2.gz VVLAIOBJHJTGGD-NXOAAHMSSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001208171328 813726456 /nfs/dbraw/zinc/72/64/56/813726456.db2.gz VVLAIOBJHJTGGD-NXOAAHMSSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001208171328 813726462 /nfs/dbraw/zinc/72/64/62/813726462.db2.gz VVLAIOBJHJTGGD-NXOAAHMSSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001208171328 813726468 /nfs/dbraw/zinc/72/64/68/813726468.db2.gz VVLAIOBJHJTGGD-NXOAAHMSSA-N 2 2 262.441 3.005 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208902006 813890497 /nfs/dbraw/zinc/89/04/97/813890497.db2.gz PKWHJDZKYVXFLH-VXGBXAGGSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208902006 813890505 /nfs/dbraw/zinc/89/05/05/813890505.db2.gz PKWHJDZKYVXFLH-VXGBXAGGSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c21 ZINC001209494259 814061767 /nfs/dbraw/zinc/06/17/67/814061767.db2.gz OLLNWWOBDROLLG-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c21 ZINC001209494259 814061774 /nfs/dbraw/zinc/06/17/74/814061774.db2.gz OLLNWWOBDROLLG-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001209494259 814061786 /nfs/dbraw/zinc/06/17/86/814061786.db2.gz OLLNWWOBDROLLG-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001209494259 814061794 /nfs/dbraw/zinc/06/17/94/814061794.db2.gz OLLNWWOBDROLLG-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(Nc2c[nH+]c(N)cc2C)cc1 ZINC001209967711 814219840 /nfs/dbraw/zinc/21/98/40/814219840.db2.gz QWLJPLOGRRXDLC-UHFFFAOYSA-N 2 2 279.347 3.210 20 0 CGADLP Cc1[nH+]ccn1Cc1ccc(Nc2c[nH+]c(N)cc2C)cc1 ZINC001209967864 814219955 /nfs/dbraw/zinc/21/99/55/814219955.db2.gz SRYKWSYWIDKVBL-UHFFFAOYSA-N 2 2 293.374 3.269 20 0 CGADLP Cc1[nH+]cc(Nc2c[nH+]ccc2N2CCCCC2)cc1N ZINC001210288412 814382808 /nfs/dbraw/zinc/38/28/08/814382808.db2.gz HPYWNFUBRDXBGS-UHFFFAOYSA-N 2 2 283.379 3.101 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210495690 814489921 /nfs/dbraw/zinc/48/99/21/814489921.db2.gz AEJSVDXMANHIJT-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210495690 814489925 /nfs/dbraw/zinc/48/99/25/814489925.db2.gz AEJSVDXMANHIJT-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc[nH+]cc1Nc1cccc(C[NH+](C)C)c1F ZINC001216227809 815746880 /nfs/dbraw/zinc/74/68/80/815746880.db2.gz QBGRCBXOXBDFHP-UHFFFAOYSA-N 2 2 275.327 3.035 20 0 CGADLP CNc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC001216334380 815788675 /nfs/dbraw/zinc/78/86/75/815788675.db2.gz CNJJVSKDMPYXQO-UHFFFAOYSA-N 2 2 279.347 3.112 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222242545 816384667 /nfs/dbraw/zinc/38/46/67/816384667.db2.gz DYOICFVJUBVGBV-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1C ZINC001222242545 816384671 /nfs/dbraw/zinc/38/46/71/816384671.db2.gz DYOICFVJUBVGBV-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222427115 816442851 /nfs/dbraw/zinc/44/28/51/816442851.db2.gz MBSDMXGBMLKCEL-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222427115 816442859 /nfs/dbraw/zinc/44/28/59/816442859.db2.gz MBSDMXGBMLKCEL-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1 ZINC001242993514 823202403 /nfs/dbraw/zinc/20/24/03/823202403.db2.gz SHUUDZNKLMKUBJ-UHFFFAOYSA-N 2 2 281.334 3.398 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001227264301 817612054 /nfs/dbraw/zinc/61/20/54/817612054.db2.gz LFSNRSIHKNXJNK-ZSHCYNCHSA-N 2 2 274.408 3.481 20 0 CGADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001227264301 817612057 /nfs/dbraw/zinc/61/20/57/817612057.db2.gz LFSNRSIHKNXJNK-ZSHCYNCHSA-N 2 2 274.408 3.481 20 0 CGADLP CCc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)s1 ZINC001231503188 818115309 /nfs/dbraw/zinc/11/53/09/818115309.db2.gz SCLHVUAUJPEGPK-UHFFFAOYSA-N 2 2 263.410 3.029 20 0 CGADLP CCc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)s1 ZINC001231503188 818115316 /nfs/dbraw/zinc/11/53/16/818115316.db2.gz SCLHVUAUJPEGPK-UHFFFAOYSA-N 2 2 263.410 3.029 20 0 CGADLP CC[N@H+](Cc1ccccc1SC)C1CC[NH+](C)CC1 ZINC001231785272 818175322 /nfs/dbraw/zinc/17/53/22/818175322.db2.gz HZNLOJODLXFQRJ-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[N@@H+](Cc1ccccc1SC)C1CC[NH+](C)CC1 ZINC001231785272 818175325 /nfs/dbraw/zinc/17/53/25/818175325.db2.gz HZNLOJODLXFQRJ-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP c1c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013756 818232860 /nfs/dbraw/zinc/23/28/60/818232860.db2.gz FCZZWQKCVGBSEA-GOSISDBHSA-N 2 2 293.370 3.136 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(SC)cc2C)CC1 ZINC001232347144 818322672 /nfs/dbraw/zinc/32/26/72/818322672.db2.gz SPCYXOLUISVVQL-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(SC)cc2C)CC1 ZINC001232347144 818322680 /nfs/dbraw/zinc/32/26/80/818322680.db2.gz SPCYXOLUISVVQL-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cccc3ncsc32)CC1 ZINC001232738372 818430649 /nfs/dbraw/zinc/43/06/49/818430649.db2.gz YLSQPORKLGSAIP-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cccc3ncsc32)CC1 ZINC001232738372 818430653 /nfs/dbraw/zinc/43/06/53/818430653.db2.gz YLSQPORKLGSAIP-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(C)c(C)c2)CC1 ZINC001233164715 818531564 /nfs/dbraw/zinc/53/15/64/818531564.db2.gz GRSSHUGFSJYONO-UHFFFAOYSA-N 2 2 289.467 3.395 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(C)c(C)c2)CC1 ZINC001233164715 818531570 /nfs/dbraw/zinc/53/15/70/818531570.db2.gz GRSSHUGFSJYONO-UHFFFAOYSA-N 2 2 289.467 3.395 20 0 CGADLP COc1cc(C[N@H+](C)CC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234065849 818771272 /nfs/dbraw/zinc/77/12/72/818771272.db2.gz DZIKIOZMWDIIES-UHFFFAOYSA-N 2 2 287.407 3.359 20 0 CGADLP COc1cc(C[N@@H+](C)CC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234065849 818771280 /nfs/dbraw/zinc/77/12/80/818771280.db2.gz DZIKIOZMWDIIES-UHFFFAOYSA-N 2 2 287.407 3.359 20 0 CGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235006617 818976347 /nfs/dbraw/zinc/97/63/47/818976347.db2.gz KKTTXISOEPHNDD-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235006617 818976354 /nfs/dbraw/zinc/97/63/54/818976354.db2.gz KKTTXISOEPHNDD-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235039073 818986827 /nfs/dbraw/zinc/98/68/27/818986827.db2.gz SRBVTDJARNVBDE-AYOQOUSVSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235039073 818986831 /nfs/dbraw/zinc/98/68/31/818986831.db2.gz SRBVTDJARNVBDE-AYOQOUSVSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235066200 818993184 /nfs/dbraw/zinc/99/31/84/818993184.db2.gz PSWRVBCPJHKZQA-INIZCTEOSA-N 2 2 272.417 3.148 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235066200 818993186 /nfs/dbraw/zinc/99/31/86/818993186.db2.gz PSWRVBCPJHKZQA-INIZCTEOSA-N 2 2 272.417 3.148 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072879 818995004 /nfs/dbraw/zinc/99/50/04/818995004.db2.gz MZZJLGZIMWIKHP-HUUCEWRRSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072879 818995010 /nfs/dbraw/zinc/99/50/10/818995010.db2.gz MZZJLGZIMWIKHP-HUUCEWRRSA-N 2 2 298.352 3.074 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)sc1C ZINC001235118076 819009955 /nfs/dbraw/zinc/00/99/55/819009955.db2.gz KXMUWSHNTUPOTM-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)sc1C ZINC001235118076 819009960 /nfs/dbraw/zinc/00/99/60/819009960.db2.gz KXMUWSHNTUPOTM-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)s1 ZINC001235169274 819022425 /nfs/dbraw/zinc/02/24/25/819022425.db2.gz XAWINIZPPWQCKD-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)s1 ZINC001235169274 819022429 /nfs/dbraw/zinc/02/24/29/819022429.db2.gz XAWINIZPPWQCKD-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235240808 819044725 /nfs/dbraw/zinc/04/47/25/819044725.db2.gz NXMZPMDTDXGDQN-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235240808 819044731 /nfs/dbraw/zinc/04/47/31/819044731.db2.gz NXMZPMDTDXGDQN-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256925 819054222 /nfs/dbraw/zinc/05/42/22/819054222.db2.gz HIHCFGDSUNNYOL-WOJBJXKFSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256925 819054227 /nfs/dbraw/zinc/05/42/27/819054227.db2.gz HIHCFGDSUNNYOL-WOJBJXKFSA-N 2 2 292.426 3.456 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235362756 819079618 /nfs/dbraw/zinc/07/96/18/819079618.db2.gz MLXAZFQNMXTUAG-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235362756 819079621 /nfs/dbraw/zinc/07/96/21/819079621.db2.gz MLXAZFQNMXTUAG-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(c2ccccc2)CC1 ZINC001235442478 819100403 /nfs/dbraw/zinc/10/04/03/819100403.db2.gz WNSAZWSVFDMESS-HXUWFJFHSA-N 2 2 294.442 3.436 20 0 CGADLP CCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001235664833 819132057 /nfs/dbraw/zinc/13/20/57/819132057.db2.gz XLGWSPYMWPKGNW-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP CCCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001235664833 819132064 /nfs/dbraw/zinc/13/20/64/819132064.db2.gz XLGWSPYMWPKGNW-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713069 819148565 /nfs/dbraw/zinc/14/85/65/819148565.db2.gz HOAIXCTZIOODJF-UHFFFAOYSA-N 2 2 282.387 3.132 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713069 819148568 /nfs/dbraw/zinc/14/85/68/819148568.db2.gz HOAIXCTZIOODJF-UHFFFAOYSA-N 2 2 282.387 3.132 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235714564 819150235 /nfs/dbraw/zinc/15/02/35/819150235.db2.gz YQLUFNSRWGRFOO-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235714564 819150239 /nfs/dbraw/zinc/15/02/39/819150239.db2.gz YQLUFNSRWGRFOO-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)cc1F)C1CC[NH2+]CC1 ZINC001235764906 819163354 /nfs/dbraw/zinc/16/33/54/819163354.db2.gz PWICUJVZISQZLL-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)cc1F)C1CC[NH2+]CC1 ZINC001235764906 819163355 /nfs/dbraw/zinc/16/33/55/819163355.db2.gz PWICUJVZISQZLL-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(Cl)c(C)c2C)CC1 ZINC001235795598 819169514 /nfs/dbraw/zinc/16/95/14/819169514.db2.gz NWDAEIRPHPVERA-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001235829983 819178407 /nfs/dbraw/zinc/17/84/07/819178407.db2.gz XWLYWIRPRAIQQP-MAUKXSAKSA-N 2 2 288.479 3.456 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001235829983 819178410 /nfs/dbraw/zinc/17/84/10/819178410.db2.gz XWLYWIRPRAIQQP-MAUKXSAKSA-N 2 2 288.479 3.456 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)ccc2c1 ZINC001235891975 819199925 /nfs/dbraw/zinc/19/99/25/819199925.db2.gz JDELVZZCAORFEX-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)ccc2c1 ZINC001235891975 819199928 /nfs/dbraw/zinc/19/99/28/819199928.db2.gz JDELVZZCAORFEX-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP CCCCOc1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235948510 819238046 /nfs/dbraw/zinc/23/80/46/819238046.db2.gz ZOXMNQXJGCUDEN-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235948510 819238053 /nfs/dbraw/zinc/23/80/53/819238053.db2.gz ZOXMNQXJGCUDEN-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235948034 819238316 /nfs/dbraw/zinc/23/83/16/819238316.db2.gz QMFIWJRPVFPCEZ-UHFFFAOYSA-N 2 2 290.329 3.063 20 0 CGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+](CC[NH3+])C(C)C ZINC001235948034 819238319 /nfs/dbraw/zinc/23/83/19/819238319.db2.gz QMFIWJRPVFPCEZ-UHFFFAOYSA-N 2 2 290.329 3.063 20 0 CGADLP C[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC001235950427 819240181 /nfs/dbraw/zinc/24/01/81/819240181.db2.gz FSJWSBZVDIUNMS-LBPRGKRZSA-N 2 2 291.826 3.253 20 0 CGADLP C[N@H+](Cc1c(Cl)[nH]c2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC001235950427 819240184 /nfs/dbraw/zinc/24/01/84/819240184.db2.gz FSJWSBZVDIUNMS-LBPRGKRZSA-N 2 2 291.826 3.253 20 0 CGADLP CCCCOc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005092 819271371 /nfs/dbraw/zinc/27/13/71/819271371.db2.gz ITVAMDDGGVXYTR-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005092 819271378 /nfs/dbraw/zinc/27/13/78/819271378.db2.gz ITVAMDDGGVXYTR-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CC[N@H+](Cc1ccccc1C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236008568 819272156 /nfs/dbraw/zinc/27/21/56/819272156.db2.gz TULGMSBXJSZFNN-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@@H+](Cc1ccccc1C(C)C)[C@H]1CCC[NH2+]C1 ZINC001236008568 819272160 /nfs/dbraw/zinc/27/21/60/819272160.db2.gz TULGMSBXJSZFNN-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001236010074 819273536 /nfs/dbraw/zinc/27/35/36/819273536.db2.gz QEKRTKQVCMJDNF-OAHLLOKOSA-N 2 2 280.843 3.476 20 0 CGADLP CCc1cc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001236010074 819273540 /nfs/dbraw/zinc/27/35/40/819273540.db2.gz QEKRTKQVCMJDNF-OAHLLOKOSA-N 2 2 280.843 3.476 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047536 819285620 /nfs/dbraw/zinc/28/56/20/819285620.db2.gz MFEMCWXSZLSAAW-KBXCAEBGSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047536 819285628 /nfs/dbraw/zinc/28/56/28/819285628.db2.gz MFEMCWXSZLSAAW-KBXCAEBGSA-N 2 2 292.426 3.427 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2c1 ZINC001236051853 819288901 /nfs/dbraw/zinc/28/89/01/819288901.db2.gz NXCDQKGXSWWUMO-DGCLKSJQSA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2c1 ZINC001236051853 819288908 /nfs/dbraw/zinc/28/89/08/819288908.db2.gz NXCDQKGXSWWUMO-DGCLKSJQSA-N 2 2 290.432 3.079 20 0 CGADLP C[N@@H+](Cc1ccc(F)c2ccccc12)C[C@@H]1CCC[NH2+]1 ZINC001236118179 819327490 /nfs/dbraw/zinc/32/74/90/819327490.db2.gz BGDACILBINGRTD-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@H+](Cc1ccc(F)c2ccccc12)C[C@@H]1CCC[NH2+]1 ZINC001236118179 819327496 /nfs/dbraw/zinc/32/74/96/819327496.db2.gz BGDACILBINGRTD-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1ccccc1-c1cccs1 ZINC001236142439 819343051 /nfs/dbraw/zinc/34/30/51/819343051.db2.gz DVMAXHQUDJESFN-UHFFFAOYSA-N 2 2 274.433 3.456 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1ccccc1-c1cccs1 ZINC001236142439 819343058 /nfs/dbraw/zinc/34/30/58/819343058.db2.gz DVMAXHQUDJESFN-UHFFFAOYSA-N 2 2 274.433 3.456 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215728 819380128 /nfs/dbraw/zinc/38/01/28/819380128.db2.gz IKIYECYMPXILKN-KBPBESRZSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215728 819380136 /nfs/dbraw/zinc/38/01/36/819380136.db2.gz IKIYECYMPXILKN-KBPBESRZSA-N 2 2 264.438 3.110 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236218022 819384844 /nfs/dbraw/zinc/38/48/44/819384844.db2.gz QZSVIDAMRXLBOA-NVXWUHKLSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236218022 819384850 /nfs/dbraw/zinc/38/48/50/819384850.db2.gz QZSVIDAMRXLBOA-NVXWUHKLSA-N 2 2 271.408 3.178 20 0 CGADLP Fc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001236241931 819401468 /nfs/dbraw/zinc/40/14/68/819401468.db2.gz UQZHIJUVDGVTDE-AWEZNQCLSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2[nH]ccc21 ZINC001236241931 819401472 /nfs/dbraw/zinc/40/14/72/819401472.db2.gz UQZHIJUVDGVTDE-AWEZNQCLSA-N 2 2 287.382 3.023 20 0 CGADLP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236243988 819402906 /nfs/dbraw/zinc/40/29/06/819402906.db2.gz IIGZQKSAGPPPOF-LJQANCHMSA-N 2 2 282.431 3.387 20 0 CGADLP CC[N@H+](Cc1ccc(C)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236243988 819402908 /nfs/dbraw/zinc/40/29/08/819402908.db2.gz IIGZQKSAGPPPOF-LJQANCHMSA-N 2 2 282.431 3.387 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001236250942 819405463 /nfs/dbraw/zinc/40/54/63/819405463.db2.gz MTBYFZTVSPEZEQ-LJQANCHMSA-N 2 2 280.415 3.201 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001236250942 819405467 /nfs/dbraw/zinc/40/54/67/819405467.db2.gz MTBYFZTVSPEZEQ-LJQANCHMSA-N 2 2 280.415 3.201 20 0 CGADLP CCC[N@H+](Cc1ccc(OC)c(C(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC001236323801 819425532 /nfs/dbraw/zinc/42/55/32/819425532.db2.gz MNRYMRAWNJBKIL-MRXNPFEDSA-N 2 2 290.451 3.393 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC001236323801 819425536 /nfs/dbraw/zinc/42/55/36/819425536.db2.gz MNRYMRAWNJBKIL-MRXNPFEDSA-N 2 2 290.451 3.393 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387615 819445088 /nfs/dbraw/zinc/44/50/88/819445088.db2.gz DFCRWORTBZACFP-MRXNPFEDSA-N 2 2 264.388 3.036 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236387615 819445091 /nfs/dbraw/zinc/44/50/91/819445091.db2.gz DFCRWORTBZACFP-MRXNPFEDSA-N 2 2 264.388 3.036 20 0 CGADLP CCOc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236470761 819490683 /nfs/dbraw/zinc/49/06/83/819490683.db2.gz OYZUZIATJGNUPA-OAHLLOKOSA-N 2 2 294.414 3.187 20 0 CGADLP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236470761 819490687 /nfs/dbraw/zinc/49/06/87/819490687.db2.gz OYZUZIATJGNUPA-OAHLLOKOSA-N 2 2 294.414 3.187 20 0 CGADLP Cc1sccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471264 819490984 /nfs/dbraw/zinc/49/09/84/819490984.db2.gz ZMGCNVCTCLNQNC-CQSZACIVSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1sccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471264 819490987 /nfs/dbraw/zinc/49/09/87/819490987.db2.gz ZMGCNVCTCLNQNC-CQSZACIVSA-N 2 2 252.427 3.019 20 0 CGADLP CCCCOc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236531366 819523868 /nfs/dbraw/zinc/52/38/68/819523868.db2.gz XVAHTRUYXZPKJW-KRWDZBQOSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236531366 819523870 /nfs/dbraw/zinc/52/38/70/819523870.db2.gz XVAHTRUYXZPKJW-KRWDZBQOSA-N 2 2 290.451 3.438 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236605322 819550264 /nfs/dbraw/zinc/55/02/64/819550264.db2.gz QSKIPSXUZHQQGV-MRXNPFEDSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236605322 819550269 /nfs/dbraw/zinc/55/02/69/819550269.db2.gz QSKIPSXUZHQQGV-MRXNPFEDSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1C[C@@H](C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C[C@H](C)O1 ZINC001236648331 819559900 /nfs/dbraw/zinc/55/99/00/819559900.db2.gz PSHUFHBZRGRZKE-DFGXFYAUSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[C@@H](C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C[C@H](C)O1 ZINC001236648331 819559905 /nfs/dbraw/zinc/55/99/05/819559905.db2.gz PSHUFHBZRGRZKE-DFGXFYAUSA-N 2 2 294.483 3.187 20 0 CGADLP C(C1CCSCC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649713 819562290 /nfs/dbraw/zinc/56/22/90/819562290.db2.gz ZEKUGVMHVRMCEH-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP C(C1CCSCC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649713 819562294 /nfs/dbraw/zinc/56/22/94/819562294.db2.gz ZEKUGVMHVRMCEH-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236870450 819627907 /nfs/dbraw/zinc/62/79/07/819627907.db2.gz RMYKSHLZSBEHKU-KRWDZBQOSA-N 2 2 285.435 3.075 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc(N(C)C)ccc2c1 ZINC001236870450 819627912 /nfs/dbraw/zinc/62/79/12/819627912.db2.gz RMYKSHLZSBEHKU-KRWDZBQOSA-N 2 2 285.435 3.075 20 0 CGADLP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@@H+]1CC1C[NH2+]C1 ZINC001236974660 819639873 /nfs/dbraw/zinc/63/98/73/819639873.db2.gz DMFLFVYNAYPSME-HNNXBMFYSA-N 2 2 298.352 3.452 20 0 CGADLP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@H+]1CC1C[NH2+]C1 ZINC001236974660 819639877 /nfs/dbraw/zinc/63/98/77/819639877.db2.gz DMFLFVYNAYPSME-HNNXBMFYSA-N 2 2 298.352 3.452 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154565 819682011 /nfs/dbraw/zinc/68/20/11/819682011.db2.gz LQGFGMILTCZFMM-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154565 819682014 /nfs/dbraw/zinc/68/20/14/819682014.db2.gz LQGFGMILTCZFMM-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2c(C)cc(F)cc2C)CC1 ZINC001237326191 819727124 /nfs/dbraw/zinc/72/71/24/819727124.db2.gz PNMWMLRCTFGRTE-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2c(C)cc(F)cc2C)CC1 ZINC001237326191 819727128 /nfs/dbraw/zinc/72/71/28/819727128.db2.gz PNMWMLRCTFGRTE-UHFFFAOYSA-N 2 2 278.415 3.359 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237384066 819740459 /nfs/dbraw/zinc/74/04/59/819740459.db2.gz UFCJDZCBFDGDPM-RHSMWYFYSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237384066 819740464 /nfs/dbraw/zinc/74/04/64/819740464.db2.gz UFCJDZCBFDGDPM-RHSMWYFYSA-N 2 2 283.419 3.050 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)cc1OC(C)C ZINC001238700518 820089688 /nfs/dbraw/zinc/08/96/88/820089688.db2.gz SUTXXUNAXSXTAL-UHFFFAOYSA-N 2 2 296.430 3.387 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)cc1OC(C)C ZINC001238700518 820089698 /nfs/dbraw/zinc/08/96/98/820089698.db2.gz SUTXXUNAXSXTAL-UHFFFAOYSA-N 2 2 296.430 3.387 20 0 CGADLP C/C(=C\C=C\[NH3+])c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243654056 823475646 /nfs/dbraw/zinc/47/56/46/823475646.db2.gz BRBVDEHSMLGCCW-RGMFKVBISA-N 2 2 256.393 3.372 20 0 CGADLP Cc1c(F)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240729181 821282739 /nfs/dbraw/zinc/28/27/39/821282739.db2.gz STCHUBJDYNMSBY-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP Cc1c(F)cccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240732465 821285481 /nfs/dbraw/zinc/28/54/81/821285481.db2.gz LZNUJMWHLCYMKZ-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240732465 821285486 /nfs/dbraw/zinc/28/54/86/821285486.db2.gz LZNUJMWHLCYMKZ-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001240732775 821286004 /nfs/dbraw/zinc/28/60/04/821286004.db2.gz SPFWBDFRFXZJMR-OAHLLOKOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001240732775 821286010 /nfs/dbraw/zinc/28/60/10/821286010.db2.gz SPFWBDFRFXZJMR-OAHLLOKOSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)Cc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241175672 821617266 /nfs/dbraw/zinc/61/72/66/821617266.db2.gz JNMZNDWMSVSWAU-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(F)c1 ZINC001241355202 821757158 /nfs/dbraw/zinc/75/71/58/821757158.db2.gz ISHCENYQEPGYOG-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(F)c1 ZINC001241355202 821757159 /nfs/dbraw/zinc/75/71/59/821757159.db2.gz ISHCENYQEPGYOG-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001241582385 821968735 /nfs/dbraw/zinc/96/87/35/821968735.db2.gz DCJLFBVDSWNXQH-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP Cc1cc(-c2cnc3[nH]cc(C[NH+](C)C)c3c2)cc(C)[nH+]1 ZINC001241993837 822262956 /nfs/dbraw/zinc/26/29/56/822262956.db2.gz FLUQZEROSIQARG-UHFFFAOYSA-N 2 2 280.375 3.303 20 0 CGADLP C(=C/c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1)\Cc1ccccc1 ZINC001242140822 822890873 /nfs/dbraw/zinc/89/08/73/822890873.db2.gz ODJXTYYEYCMGFJ-XBXARRHUSA-N 2 2 289.382 3.277 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399015837 926754430 /nfs/dbraw/zinc/75/44/30/926754430.db2.gz FVZVMIGEIZQGKK-GLJUWKHASA-N 2 2 272.436 3.357 20 0 CGADLP CC[C@@H](CSC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474093201 937203024 /nfs/dbraw/zinc/20/30/24/937203024.db2.gz AADYIQWDPXFDMV-NSHDSACASA-N 2 2 281.450 3.165 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001474626929 937207842 /nfs/dbraw/zinc/20/78/42/937207842.db2.gz WDUYJVKXEOENHZ-UAGQMJEPSA-N 2 2 264.457 3.275 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063277 928184510 /nfs/dbraw/zinc/18/45/10/928184510.db2.gz MMKJESGYYDHCHE-OLZOCXBDSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063277 928184515 /nfs/dbraw/zinc/18/45/15/928184515.db2.gz MMKJESGYYDHCHE-OLZOCXBDSA-N 2 2 299.245 3.274 20 0 CGADLP CC(C)C1(C[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001560929937 937239023 /nfs/dbraw/zinc/23/90/23/937239023.db2.gz MZGODKZZFSESPA-HNNXBMFYSA-N 2 2 252.446 3.133 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC001461261943 928752708 /nfs/dbraw/zinc/75/27/08/928752708.db2.gz ZFUMTKFXQLCRPX-IRXDYDNUSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC001461261943 928752713 /nfs/dbraw/zinc/75/27/13/928752713.db2.gz ZFUMTKFXQLCRPX-IRXDYDNUSA-N 2 2 284.488 3.149 20 0 CGADLP COc1cccc2[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)ccc21 ZINC001162452169 931989393 /nfs/dbraw/zinc/98/93/93/931989393.db2.gz BUJQZIDUXDOFIH-UONOGXRCSA-N 2 2 299.418 3.291 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC001460989294 937558108 /nfs/dbraw/zinc/55/81/08/937558108.db2.gz MDEDXPXKVYGFJR-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC001460989294 937558109 /nfs/dbraw/zinc/55/81/09/937558109.db2.gz MDEDXPXKVYGFJR-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001461666097 937591014 /nfs/dbraw/zinc/59/10/14/937591014.db2.gz GRXDMZCOXYVEAV-LBPRGKRZSA-N 2 2 268.832 3.332 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001461687410 937592119 /nfs/dbraw/zinc/59/21/19/937592119.db2.gz YDLOXDLYNRERPX-WLPBJKJWSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001461687410 937592122 /nfs/dbraw/zinc/59/21/22/937592122.db2.gz YDLOXDLYNRERPX-WLPBJKJWSA-N 2 2 288.410 3.445 20 0 CGADLP COC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCCC1 ZINC001461697476 937592830 /nfs/dbraw/zinc/59/28/30/937592830.db2.gz LHRSJDCSBYFZAW-QGZVFWFLSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCCC1 ZINC001461697476 937592832 /nfs/dbraw/zinc/59/28/32/937592832.db2.gz LHRSJDCSBYFZAW-QGZVFWFLSA-N 2 2 294.483 3.332 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001231079556 932674759 /nfs/dbraw/zinc/67/47/59/932674759.db2.gz KLLKYLVKRYTLEJ-SCAQPMJSSA-N 2 2 297.402 3.091 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001231079556 932674762 /nfs/dbraw/zinc/67/47/62/932674762.db2.gz KLLKYLVKRYTLEJ-SCAQPMJSSA-N 2 2 297.402 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001462459982 937643011 /nfs/dbraw/zinc/64/30/11/937643011.db2.gz VCBPDAUILJHBRT-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC001462459982 937643013 /nfs/dbraw/zinc/64/30/13/937643013.db2.gz VCBPDAUILJHBRT-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP CCCC1CCC(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC001308183515 933067723 /nfs/dbraw/zinc/06/77/23/933067723.db2.gz WENVLUGHPITLJG-UHFFFAOYSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001308288388 933088638 /nfs/dbraw/zinc/08/86/38/933088638.db2.gz VXAXZZGXSLLLSA-IRXDYDNUSA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001308288388 933088646 /nfs/dbraw/zinc/08/86/46/933088646.db2.gz VXAXZZGXSLLLSA-IRXDYDNUSA-N 2 2 274.452 3.187 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001308288389 933089628 /nfs/dbraw/zinc/08/96/28/933089628.db2.gz VXAXZZGXSLLLSA-SJORKVTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001308288389 933089632 /nfs/dbraw/zinc/08/96/32/933089632.db2.gz VXAXZZGXSLLLSA-SJORKVTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001308484177 933117756 /nfs/dbraw/zinc/11/77/56/933117756.db2.gz MRKKTYVCAAKIEL-KBMXLJTQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001308484177 933117760 /nfs/dbraw/zinc/11/77/60/933117760.db2.gz MRKKTYVCAAKIEL-KBMXLJTQSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC12CCCC2 ZINC001318891425 933792281 /nfs/dbraw/zinc/79/22/81/933792281.db2.gz ZDGPCZGQVUHOMH-CYBMUJFWSA-N 2 2 296.374 3.095 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001322523215 934310195 /nfs/dbraw/zinc/31/01/95/934310195.db2.gz QFGQMMREFOHIDG-TZMCWYRMSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC1(C)C ZINC001324122351 934462529 /nfs/dbraw/zinc/46/25/29/934462529.db2.gz VOGNXELZYBXSJU-ZDUSSCGKSA-N 2 2 298.390 3.341 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccn2C2CC2)CC1 ZINC001324646785 934539325 /nfs/dbraw/zinc/53/93/25/934539325.db2.gz NWWFONOSIHHBGY-UHFFFAOYSA-N 2 2 275.440 3.128 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccn2C2CC2)CC1 ZINC001324646785 934539332 /nfs/dbraw/zinc/53/93/32/934539332.db2.gz NWWFONOSIHHBGY-UHFFFAOYSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC001324929562 934873987 /nfs/dbraw/zinc/87/39/87/934873987.db2.gz VTGHRWOVEYKSLQ-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC001324929562 934873992 /nfs/dbraw/zinc/87/39/92/934873992.db2.gz VTGHRWOVEYKSLQ-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CC1(C)C ZINC001473562844 937811503 /nfs/dbraw/zinc/81/15/03/937811503.db2.gz UKBDQAUATKMWMS-WCVJEAGWSA-N 2 2 266.473 3.379 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sccc1Br ZINC001325742428 934926197 /nfs/dbraw/zinc/92/61/97/934926197.db2.gz FJSVCDZADKJFIC-BDAKNGLRSA-N 2 2 291.258 3.159 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001328508106 935145615 /nfs/dbraw/zinc/14/56/15/935145615.db2.gz VTJVXOJCTRACPL-LBPRGKRZSA-N 2 2 260.406 3.113 20 0 CGADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC001332384964 935464463 /nfs/dbraw/zinc/46/44/63/935464463.db2.gz JXJWXZIAYRLUDB-HNNXBMFYSA-N 2 2 293.842 3.188 20 0 CGADLP Cn1c[nH+]cc1C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC001337459471 936260197 /nfs/dbraw/zinc/26/01/97/936260197.db2.gz RSUGIVWBSLJONV-UHFFFAOYSA-N 2 2 298.434 3.497 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001473898430 937828350 /nfs/dbraw/zinc/82/83/50/937828350.db2.gz YAHOTXSKHRISSV-MRXNPFEDSA-N 2 2 298.434 3.413 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001473898430 937828352 /nfs/dbraw/zinc/82/83/52/937828352.db2.gz YAHOTXSKHRISSV-MRXNPFEDSA-N 2 2 298.434 3.413 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cs1 ZINC001551376764 938180487 /nfs/dbraw/zinc/18/04/87/938180487.db2.gz CBDOQTYCPYLLFY-XZJROXQQSA-N 2 2 272.417 3.332 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001551377390 938180502 /nfs/dbraw/zinc/18/05/02/938180502.db2.gz HSQGPBSOTLCOIY-VHMBPLKRSA-N 2 2 298.352 3.322 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001551378360 938180744 /nfs/dbraw/zinc/18/07/44/938180744.db2.gz OWIXYDYYJWOGSR-TVSZOZCSSA-N 2 2 280.362 3.025 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001551378941 938180747 /nfs/dbraw/zinc/18/07/47/938180747.db2.gz VJGBROLTEGHWHP-MYZSUADSSA-N 2 2 298.352 3.322 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC001551377949 938180753 /nfs/dbraw/zinc/18/07/53/938180753.db2.gz KXMIWZQUOYHHIM-CEXWTWQISA-N 2 2 293.414 3.148 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044161 938242532 /nfs/dbraw/zinc/24/25/32/938242532.db2.gz WTVXGWHIDHXXKZ-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044161 938242533 /nfs/dbraw/zinc/24/25/33/938242533.db2.gz WTVXGWHIDHXXKZ-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560044161 938242534 /nfs/dbraw/zinc/24/25/34/938242534.db2.gz WTVXGWHIDHXXKZ-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560044161 938242535 /nfs/dbraw/zinc/24/25/35/938242535.db2.gz WTVXGWHIDHXXKZ-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCCCCC1 ZINC001560082867 938243558 /nfs/dbraw/zinc/24/35/58/938243558.db2.gz IUFQTBBVCYGDFI-QGZVFWFLSA-N 2 2 296.499 3.314 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCCCCC1 ZINC001560082867 938243559 /nfs/dbraw/zinc/24/35/59/938243559.db2.gz IUFQTBBVCYGDFI-QGZVFWFLSA-N 2 2 296.499 3.314 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC001560326605 938253269 /nfs/dbraw/zinc/25/32/69/938253269.db2.gz FVLXVCXVXQABOB-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC001560326605 938253271 /nfs/dbraw/zinc/25/32/71/938253271.db2.gz FVLXVCXVXQABOB-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001560351769 938254569 /nfs/dbraw/zinc/25/45/69/938254569.db2.gz NJKGKXGHVUURLF-MRXNPFEDSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001560727576 938272482 /nfs/dbraw/zinc/27/24/82/938272482.db2.gz MQIPUHHVRMZOCT-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001560727576 938272483 /nfs/dbraw/zinc/27/24/83/938272483.db2.gz MQIPUHHVRMZOCT-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929970 938284747 /nfs/dbraw/zinc/28/47/47/938284747.db2.gz NMRIYMACUNNFMF-CVEARBPZSA-N 2 2 254.462 3.379 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001560927699 938284372 /nfs/dbraw/zinc/28/43/72/938284372.db2.gz YQBVJRNDGFPJEI-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001560927699 938284374 /nfs/dbraw/zinc/28/43/74/938284374.db2.gz YQBVJRNDGFPJEI-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001560933906 938284929 /nfs/dbraw/zinc/28/49/29/938284929.db2.gz BVYLUFIYZMXXBS-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)(C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001560933906 938284930 /nfs/dbraw/zinc/28/49/30/938284930.db2.gz BVYLUFIYZMXXBS-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001561051182 938291862 /nfs/dbraw/zinc/29/18/62/938291862.db2.gz QMJIXQXALGWCTC-UHFFFAOYSA-N 2 2 299.418 3.117 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215194 960410559 /nfs/dbraw/zinc/41/05/59/960410559.db2.gz WSRGAXYCYUKCPN-HOTGVXAUSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215194 960410565 /nfs/dbraw/zinc/41/05/65/960410565.db2.gz WSRGAXYCYUKCPN-HOTGVXAUSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3cn2)CC1 ZINC001257205463 960426053 /nfs/dbraw/zinc/42/60/53/960426053.db2.gz LRHYEJMQSBOZIK-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C[NH2+]1 ZINC001576671002 962486282 /nfs/dbraw/zinc/48/62/82/962486282.db2.gz NQFZFWIXNZTKII-STQMWFEESA-N 2 2 294.389 3.117 20 0 CGADLP CCCCC[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC001577432397 962541029 /nfs/dbraw/zinc/54/10/29/962541029.db2.gz AGEJXRBGBGBOGM-UHFFFAOYSA-N 2 2 254.805 3.291 20 0 CGADLP CCCCC[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC001577432397 962541036 /nfs/dbraw/zinc/54/10/36/962541036.db2.gz AGEJXRBGBGBOGM-UHFFFAOYSA-N 2 2 254.805 3.291 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC001579927642 962683229 /nfs/dbraw/zinc/68/32/29/962683229.db2.gz XIKDQMBLLNIWDL-ZIAGYGMSSA-N 2 2 264.413 3.245 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC001580030150 962685682 /nfs/dbraw/zinc/68/56/82/962685682.db2.gz IZYQRQSLXNJAFT-CQSZACIVSA-N 2 2 272.367 3.211 20 0 CGADLP [NH3+]Cc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC001580337440 962718573 /nfs/dbraw/zinc/71/85/73/962718573.db2.gz YYFGGDGBKUKOSE-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP [NH3+]Cc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC001580337440 962718590 /nfs/dbraw/zinc/71/85/90/962718590.db2.gz YYFGGDGBKUKOSE-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP c1cn(-c2cccc(N[C@@H]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2)c[nH+]1 ZINC001580890154 962742472 /nfs/dbraw/zinc/74/24/72/962742472.db2.gz INKHQHZTLPPJLH-KYJSFNMBSA-N 2 2 296.418 3.205 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000294951802 199267519 /nfs/dbraw/zinc/26/75/19/199267519.db2.gz MDCZYZQWFAPRRL-RDTXWAMCSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000294951802 199267521 /nfs/dbraw/zinc/26/75/21/199267521.db2.gz MDCZYZQWFAPRRL-RDTXWAMCSA-N 2 2 297.402 3.169 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)c[nH+]1 ZINC000337391317 214048609 /nfs/dbraw/zinc/04/86/09/214048609.db2.gz HLEGGSQVOWANFD-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCC[N@@H+]1C ZINC000337393659 214051129 /nfs/dbraw/zinc/05/11/29/214051129.db2.gz BGENIYQBPKDSGX-MXSMSXNCSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCC[N@H+]1C ZINC000337393659 214051131 /nfs/dbraw/zinc/05/11/31/214051131.db2.gz BGENIYQBPKDSGX-MXSMSXNCSA-N 2 2 287.451 3.180 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCC(C)(C)C3)c[nH+]c12 ZINC000350628815 219041106 /nfs/dbraw/zinc/04/11/06/219041106.db2.gz JZIWQWGGCTYIGH-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)cc[nH+]1 ZINC000621298880 349491853 /nfs/dbraw/zinc/49/18/53/349491853.db2.gz NGJMCWYMGSIQIT-NWDGAFQWSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]1C[C@]1([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337488210 214115494 /nfs/dbraw/zinc/11/54/94/214115494.db2.gz KCUKUDLRPGFWOZ-SWLSCSKDSA-N 2 2 275.783 3.061 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCC34CCC4)c2)c[nH+]1 ZINC000337521863 214135258 /nfs/dbraw/zinc/13/52/58/214135258.db2.gz PQJIHUXGKXSRAU-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337505367 282131093 /nfs/dbraw/zinc/13/10/93/282131093.db2.gz FFJQCCDNHQSYAS-DLBZAZTESA-N 2 2 272.436 3.082 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782071 349585235 /nfs/dbraw/zinc/58/52/35/349585235.db2.gz MEFRIYXIHDGGOY-YOEHRIQHSA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782071 349585239 /nfs/dbraw/zinc/58/52/39/349585239.db2.gz MEFRIYXIHDGGOY-YOEHRIQHSA-N 2 2 299.443 3.123 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000651866381 398298770 /nfs/dbraw/zinc/29/87/70/398298770.db2.gz BZUCTOSQJOCKKV-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000651866381 398298771 /nfs/dbraw/zinc/29/87/71/398298771.db2.gz BZUCTOSQJOCKKV-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000449061261 529447630 /nfs/dbraw/zinc/44/76/30/529447630.db2.gz IBLNIQNJBIFVJP-QGPMSJSTSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423478424 529453285 /nfs/dbraw/zinc/45/32/85/529453285.db2.gz UOICWOBDVSKKIQ-SCZZXKLOSA-N 2 2 292.757 3.329 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423442408 529453497 /nfs/dbraw/zinc/45/34/97/529453497.db2.gz BSNKERQSPYYGAQ-QWRGUYRKSA-N 2 2 293.411 3.337 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423455775 529453890 /nfs/dbraw/zinc/45/38/90/529453890.db2.gz CVAJAMXSBSHKSH-NEPJUHHUSA-N 2 2 276.380 3.138 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)c[nH+]1 ZINC000591081927 346900106 /nfs/dbraw/zinc/90/01/06/346900106.db2.gz BUAMOOGLZZXQOD-CYBMUJFWSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)c[nH+]1 ZINC000591081927 346900107 /nfs/dbraw/zinc/90/01/07/346900107.db2.gz BUAMOOGLZZXQOD-CYBMUJFWSA-N 2 2 298.415 3.330 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC1(C)C ZINC000414069036 529608191 /nfs/dbraw/zinc/60/81/91/529608191.db2.gz RFLKPTOLCSHJCR-GJZGRUSLSA-N 2 2 271.408 3.291 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154639503 529614068 /nfs/dbraw/zinc/61/40/68/529614068.db2.gz CPXNVTAOSCSWHD-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154639503 529614071 /nfs/dbraw/zinc/61/40/71/529614071.db2.gz CPXNVTAOSCSWHD-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000423497603 529617231 /nfs/dbraw/zinc/61/72/31/529617231.db2.gz HAHRQFQKTAVJFN-DZOHQFGASA-N 2 2 272.436 3.417 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc(Cl)c1F ZINC000423441034 529650775 /nfs/dbraw/zinc/65/07/75/529650775.db2.gz IYXFFFHGWUXECW-PTRXPTGYSA-N 2 2 258.768 3.256 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1OC(F)F ZINC000423369752 529661828 /nfs/dbraw/zinc/66/18/28/529661828.db2.gz TUZYFEUAZTWZGQ-KWCYVHTRSA-N 2 2 298.377 3.327 20 0 CGADLP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000420378847 529663507 /nfs/dbraw/zinc/66/35/07/529663507.db2.gz XHIRTTIZSMBZIV-GUYJKWIASA-N 2 2 264.388 3.253 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000358521221 529678088 /nfs/dbraw/zinc/67/80/88/529678088.db2.gz XSOARWXKODNVCH-CQSZACIVSA-N 2 2 294.402 3.451 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000295007180 199295961 /nfs/dbraw/zinc/29/59/61/199295961.db2.gz LUZYTVNZBIJBCS-QGZVFWFLSA-N 2 2 299.418 3.119 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000295007180 199295964 /nfs/dbraw/zinc/29/59/64/199295964.db2.gz LUZYTVNZBIJBCS-QGZVFWFLSA-N 2 2 299.418 3.119 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478209 349816385 /nfs/dbraw/zinc/81/63/85/349816385.db2.gz DDAIWOKNGHZLOV-NEPJUHHUSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478209 349816388 /nfs/dbraw/zinc/81/63/88/349816388.db2.gz DDAIWOKNGHZLOV-NEPJUHHUSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856522 187266531 /nfs/dbraw/zinc/26/65/31/187266531.db2.gz WKSWRKUEAJPCDG-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856522 187266532 /nfs/dbraw/zinc/26/65/32/187266532.db2.gz WKSWRKUEAJPCDG-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CS1 ZINC000623614917 349849733 /nfs/dbraw/zinc/84/97/33/349849733.db2.gz GAWOMEVGVAWFGN-IJEWVQPXSA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CS1 ZINC000623614917 349849734 /nfs/dbraw/zinc/84/97/34/349849734.db2.gz GAWOMEVGVAWFGN-IJEWVQPXSA-N 2 2 282.497 3.267 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000623655270 349856572 /nfs/dbraw/zinc/85/65/72/349856572.db2.gz SXMVWBSHCHHVCB-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000623655270 349856575 /nfs/dbraw/zinc/85/65/75/349856575.db2.gz SXMVWBSHCHHVCB-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000623656066 349856891 /nfs/dbraw/zinc/85/68/91/349856891.db2.gz MGIIJRITSGVXQO-OAHLLOKOSA-N 2 2 299.418 3.163 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000623656066 349856892 /nfs/dbraw/zinc/85/68/92/349856892.db2.gz MGIIJRITSGVXQO-OAHLLOKOSA-N 2 2 299.418 3.163 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623657085 349857711 /nfs/dbraw/zinc/85/77/11/349857711.db2.gz JJDHCMWSAIGWQF-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623657085 349857712 /nfs/dbraw/zinc/85/77/12/349857712.db2.gz JJDHCMWSAIGWQF-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(C)s1 ZINC000623728602 349871826 /nfs/dbraw/zinc/87/18/26/349871826.db2.gz SHHJYDZNRDRJQP-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(C)s1 ZINC000623728602 349871831 /nfs/dbraw/zinc/87/18/31/349871831.db2.gz SHHJYDZNRDRJQP-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)nc1 ZINC000623825892 349891310 /nfs/dbraw/zinc/89/13/10/349891310.db2.gz NCXONGCNMFEVBQ-MRXNPFEDSA-N 2 2 299.462 3.216 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000128213170 187357472 /nfs/dbraw/zinc/35/74/72/187357472.db2.gz CUBIYAGDQQFMLH-ZDUSSCGKSA-N 2 2 272.367 3.465 20 0 CGADLP C[C@H]([NH2+]CCc1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000351579871 219133612 /nfs/dbraw/zinc/13/36/12/219133612.db2.gz KSHDRDPTVAMEKS-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000623888772 349906305 /nfs/dbraw/zinc/90/63/05/349906305.db2.gz UFGGBVLXXXUBTI-UONOGXRCSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000623888772 349906308 /nfs/dbraw/zinc/90/63/08/349906308.db2.gz UFGGBVLXXXUBTI-UONOGXRCSA-N 2 2 281.469 3.223 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623888788 349906566 /nfs/dbraw/zinc/90/65/66/349906566.db2.gz UUHOIYJYFHKSIR-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623888788 349906571 /nfs/dbraw/zinc/90/65/71/349906571.db2.gz UUHOIYJYFHKSIR-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623891591 349907342 /nfs/dbraw/zinc/90/73/42/349907342.db2.gz PUZPAUIPWJPENS-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623891591 349907346 /nfs/dbraw/zinc/90/73/46/349907346.db2.gz PUZPAUIPWJPENS-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423227773 529978557 /nfs/dbraw/zinc/97/85/57/529978557.db2.gz WYHKLSVZTJQUGW-JTQLQIEISA-N 2 2 293.411 3.128 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000423243855 529979265 /nfs/dbraw/zinc/97/92/65/529979265.db2.gz KOOLZNPPRNHARV-HNNXBMFYSA-N 2 2 266.816 3.380 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000045135233 345020723 /nfs/dbraw/zinc/02/07/23/345020723.db2.gz ICSWHJHPEUFWFW-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000045135233 345020726 /nfs/dbraw/zinc/02/07/26/345020726.db2.gz ICSWHJHPEUFWFW-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP COc1ccc[nH+]c1NCCCCC[NH+]1CCCCC1 ZINC000623961971 349929683 /nfs/dbraw/zinc/92/96/83/349929683.db2.gz TXYXWYJRCBOVND-UHFFFAOYSA-N 2 2 277.412 3.158 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCCO2 ZINC000423437710 301285467 /nfs/dbraw/zinc/28/54/67/301285467.db2.gz GLZJMKBCLUOEIT-MISXGVKJSA-N 2 2 282.815 3.187 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154606762 232219764 /nfs/dbraw/zinc/21/97/64/232219764.db2.gz KBUMVKPXWLGURE-YPMHNXCESA-N 2 2 295.496 3.494 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154606762 232219765 /nfs/dbraw/zinc/21/97/65/232219765.db2.gz KBUMVKPXWLGURE-YPMHNXCESA-N 2 2 295.496 3.494 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000084863546 345743077 /nfs/dbraw/zinc/74/30/77/345743077.db2.gz DTVBJDRGABWNGV-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000084863546 345743079 /nfs/dbraw/zinc/74/30/79/345743079.db2.gz DTVBJDRGABWNGV-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP c1cc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000091453410 345814360 /nfs/dbraw/zinc/81/43/60/345814360.db2.gz OXJCIVACYBBQDD-CYBMUJFWSA-N 2 2 287.432 3.361 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1c(C)nn(C)c1C ZINC000090846908 345796392 /nfs/dbraw/zinc/79/63/92/345796392.db2.gz MYTLFGFTCUSIAL-MRXNPFEDSA-N 2 2 286.423 3.024 20 0 CGADLP Cc1csc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)n1 ZINC000162470803 232253838 /nfs/dbraw/zinc/25/38/38/232253838.db2.gz HFADSYSTFWDZEB-HNNXBMFYSA-N 2 2 293.480 3.368 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092072126 345830896 /nfs/dbraw/zinc/83/08/96/345830896.db2.gz SLTDBLZMFKCHBZ-INIZCTEOSA-N 2 2 299.418 3.415 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092072126 345830899 /nfs/dbraw/zinc/83/08/99/345830899.db2.gz SLTDBLZMFKCHBZ-INIZCTEOSA-N 2 2 299.418 3.415 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865984 345890467 /nfs/dbraw/zinc/89/04/67/345890467.db2.gz LEYKBRWTIIPDAV-NEWSRXKRSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865984 345890471 /nfs/dbraw/zinc/89/04/71/345890471.db2.gz LEYKBRWTIIPDAV-NEWSRXKRSA-N 2 2 294.398 3.338 20 0 CGADLP Clc1c2ccccc2sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107579631 345934616 /nfs/dbraw/zinc/93/46/16/345934616.db2.gz QEHRTHZKPWVPIR-QWRGUYRKSA-N 2 2 292.835 3.206 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533885 346012727 /nfs/dbraw/zinc/01/27/27/346012727.db2.gz BYBCPUFKWFFKQW-SKDRFNHKSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533885 346012730 /nfs/dbraw/zinc/01/27/30/346012730.db2.gz BYBCPUFKWFFKQW-SKDRFNHKSA-N 2 2 273.207 3.305 20 0 CGADLP CCC(CC)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000236636050 346341361 /nfs/dbraw/zinc/34/13/61/346341361.db2.gz MMWNKMJYTVTYBA-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000252195830 346390646 /nfs/dbraw/zinc/39/06/46/346390646.db2.gz VMUPXZOKMNFJEQ-IIAWOOMASA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000252195830 346390649 /nfs/dbraw/zinc/39/06/49/346390649.db2.gz VMUPXZOKMNFJEQ-IIAWOOMASA-N 2 2 276.424 3.223 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000381386087 346558237 /nfs/dbraw/zinc/55/82/37/346558237.db2.gz QPJACLCXQNOLKK-ZDUSSCGKSA-N 2 2 263.410 3.384 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130982 346572757 /nfs/dbraw/zinc/57/27/57/346572757.db2.gz FDGKNXXJBBZGBC-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130982 346572761 /nfs/dbraw/zinc/57/27/61/346572761.db2.gz FDGKNXXJBBZGBC-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)ccc1F ZINC000584583499 346684835 /nfs/dbraw/zinc/68/48/35/346684835.db2.gz XREZXDHZDHZBBU-KDOFPFPSSA-N 2 2 299.393 3.455 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)ccc1F ZINC000584583499 346684840 /nfs/dbraw/zinc/68/48/40/346684840.db2.gz XREZXDHZDHZBBU-KDOFPFPSSA-N 2 2 299.393 3.455 20 0 CGADLP Clc1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000287317383 282530906 /nfs/dbraw/zinc/53/09/06/282530906.db2.gz NPYZZHXKKJXGBD-ZDUSSCGKSA-N 2 2 299.805 3.339 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595082300 347279689 /nfs/dbraw/zinc/27/96/89/347279689.db2.gz YFSOZRUVLPLMGV-KGLIPLIRSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595082300 347279693 /nfs/dbraw/zinc/27/96/93/347279693.db2.gz YFSOZRUVLPLMGV-KGLIPLIRSA-N 2 2 288.476 3.074 20 0 CGADLP C(=C\c1ccccc1)\C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000604048326 348108245 /nfs/dbraw/zinc/10/82/45/348108245.db2.gz FOJZNOWYLOCSIH-DAXSKMNVSA-N 2 2 267.376 3.233 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604386358 348118549 /nfs/dbraw/zinc/11/85/49/348118549.db2.gz PJBPUIFJZQZPEX-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604386358 348118551 /nfs/dbraw/zinc/11/85/51/348118551.db2.gz PJBPUIFJZQZPEX-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997780 348141953 /nfs/dbraw/zinc/14/19/53/348141953.db2.gz IWQPKJAMVPUDIF-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000604997780 348141956 /nfs/dbraw/zinc/14/19/56/348141956.db2.gz IWQPKJAMVPUDIF-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438795 215171990 /nfs/dbraw/zinc/17/19/90/215171990.db2.gz VYIDMULHKHXITJ-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438795 215171993 /nfs/dbraw/zinc/17/19/93/215171993.db2.gz VYIDMULHKHXITJ-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438795 215171995 /nfs/dbraw/zinc/17/19/95/215171995.db2.gz VYIDMULHKHXITJ-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438795 215171999 /nfs/dbraw/zinc/17/19/99/215171999.db2.gz VYIDMULHKHXITJ-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP CSC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193003 348427875 /nfs/dbraw/zinc/42/78/75/348427875.db2.gz AMWYQBZKUKRQBA-HOCLYGCPSA-N 2 2 292.492 3.381 20 0 CGADLP CSC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193003 348427877 /nfs/dbraw/zinc/42/78/77/348427877.db2.gz AMWYQBZKUKRQBA-HOCLYGCPSA-N 2 2 292.492 3.381 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000273402703 192139326 /nfs/dbraw/zinc/13/93/26/192139326.db2.gz NRVUYIGZGBQQNJ-OAHLLOKOSA-N 2 2 275.783 3.204 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188348 349996199 /nfs/dbraw/zinc/99/61/99/349996199.db2.gz FUDNIQBJLBKGDY-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188348 349996200 /nfs/dbraw/zinc/99/62/00/349996200.db2.gz FUDNIQBJLBKGDY-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000624270266 350015638 /nfs/dbraw/zinc/01/56/38/350015638.db2.gz CRIQSVMZJGGJJR-BBWFWOEESA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000624270266 350015639 /nfs/dbraw/zinc/01/56/39/350015639.db2.gz CRIQSVMZJGGJJR-BBWFWOEESA-N 2 2 276.399 3.146 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000624271821 350016002 /nfs/dbraw/zinc/01/60/02/350016002.db2.gz GEEVCSXYBBCHHJ-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000624271821 350016007 /nfs/dbraw/zinc/01/60/07/350016007.db2.gz GEEVCSXYBBCHHJ-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc2ccccc2c1 ZINC000271276552 191045425 /nfs/dbraw/zinc/04/54/25/191045425.db2.gz OMOQKFQCMQOIKK-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc2ccccc2c1 ZINC000271276552 191045428 /nfs/dbraw/zinc/04/54/28/191045428.db2.gz OMOQKFQCMQOIKK-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc2ccccc2c1 ZINC000271276552 191045431 /nfs/dbraw/zinc/04/54/31/191045431.db2.gz OMOQKFQCMQOIKK-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc2ccccc2c1 ZINC000271276552 191045432 /nfs/dbraw/zinc/04/54/32/191045432.db2.gz OMOQKFQCMQOIKK-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP Clc1ccccc1CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438169 350171816 /nfs/dbraw/zinc/17/18/16/350171816.db2.gz XBQRVMPKWCYXIM-UHFFFAOYSA-N 2 2 275.783 3.054 20 0 CGADLP Clc1ccccc1CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625438169 350171819 /nfs/dbraw/zinc/17/18/19/350171819.db2.gz XBQRVMPKWCYXIM-UHFFFAOYSA-N 2 2 275.783 3.054 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000628200321 350437209 /nfs/dbraw/zinc/43/72/09/350437209.db2.gz HQUFKZMJTMBIHV-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000628200321 350437214 /nfs/dbraw/zinc/43/72/14/350437214.db2.gz HQUFKZMJTMBIHV-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000628200026 350437656 /nfs/dbraw/zinc/43/76/56/350437656.db2.gz UNVXCAUDRURVFX-UHFFFAOYSA-N 2 2 291.439 3.296 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000628200026 350437659 /nfs/dbraw/zinc/43/76/59/350437659.db2.gz UNVXCAUDRURVFX-UHFFFAOYSA-N 2 2 291.439 3.296 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CCCC4(CC4)CC3)c[nH+]c12 ZINC000628480285 350550266 /nfs/dbraw/zinc/55/02/66/350550266.db2.gz LUKVSZJFYGPXEQ-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP Cc1cccn2c(C[N@H+]3CCCC4(CC4)CC3)c[nH+]c12 ZINC000628480285 350550268 /nfs/dbraw/zinc/55/02/68/350550268.db2.gz LUKVSZJFYGPXEQ-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000629528357 350702868 /nfs/dbraw/zinc/70/28/68/350702868.db2.gz XCYNSAUHCYFHTP-YESZJQIVSA-N 2 2 294.414 3.024 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc(C)c1F ZINC000629534469 350705055 /nfs/dbraw/zinc/70/50/55/350705055.db2.gz AAMYQEPQWIZDKI-YDHLFZDLSA-N 2 2 264.388 3.234 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(C)c1F ZINC000629534466 350705182 /nfs/dbraw/zinc/70/51/82/350705182.db2.gz AAMYQEPQWIZDKI-VNHYZAJKSA-N 2 2 264.388 3.234 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1F ZINC000629536979 350705659 /nfs/dbraw/zinc/70/56/59/350705659.db2.gz KAZQNUCJOSWZHT-NVBFEUDRSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629540331 350706656 /nfs/dbraw/zinc/70/66/56/350706656.db2.gz WFELJZJFDMZLJT-UGFHNGPFSA-N 2 2 250.361 3.007 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543925 350708498 /nfs/dbraw/zinc/70/84/98/350708498.db2.gz FWOBYWAGHZMGIP-XGWLTEMNSA-N 2 2 283.419 3.194 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000629544353 350709099 /nfs/dbraw/zinc/70/90/99/350709099.db2.gz KPUTUDOVIAREAE-XKQJLSEDSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000629545250 350709186 /nfs/dbraw/zinc/70/91/86/350709186.db2.gz AUFOAOBMCGRPOM-SUNYJGFJSA-N 2 2 281.403 3.150 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000629546650 350710271 /nfs/dbraw/zinc/71/02/71/350710271.db2.gz VKJBYAOKZBUJQX-QEORTHHSSA-N 2 2 272.392 3.470 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)s2)C[NH2+]1 ZINC000629413625 350691057 /nfs/dbraw/zinc/69/10/57/350691057.db2.gz NHXJWLAFQTZGPO-NEPJUHHUSA-N 2 2 266.454 3.276 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629521119 350700545 /nfs/dbraw/zinc/70/05/45/350700545.db2.gz PRMUHYUGEXPWES-ZFWWWQNUSA-N 2 2 292.423 3.237 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)s1 ZINC000631223717 350997434 /nfs/dbraw/zinc/99/74/34/350997434.db2.gz FKLUEFPHKWBGPB-LLVKDONJSA-N 2 2 286.404 3.258 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CCCn1cc[nH+]c1 ZINC000631561296 351067005 /nfs/dbraw/zinc/06/70/05/351067005.db2.gz MHLAEZFOJDRCSL-HNNXBMFYSA-N 2 2 296.418 3.365 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000631887272 351151774 /nfs/dbraw/zinc/15/17/74/351151774.db2.gz QAUYMQGFSFMYQP-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000631887272 351151775 /nfs/dbraw/zinc/15/17/75/351151775.db2.gz QAUYMQGFSFMYQP-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000634678823 351564783 /nfs/dbraw/zinc/56/47/83/351564783.db2.gz DOZOVKHDIBQPFD-ZDUSSCGKSA-N 2 2 287.407 3.043 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1F ZINC000634684497 351570557 /nfs/dbraw/zinc/57/05/57/351570557.db2.gz RXMMHTAZEZOJKZ-MRXNPFEDSA-N 2 2 293.361 3.228 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634952630 351608635 /nfs/dbraw/zinc/60/86/35/351608635.db2.gz FDAIRYMZYFHLIG-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634952630 351608637 /nfs/dbraw/zinc/60/86/37/351608637.db2.gz FDAIRYMZYFHLIG-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP CC[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1c1ccccc1 ZINC000634993596 351619545 /nfs/dbraw/zinc/61/95/45/351619545.db2.gz ZJTCQVYXVCYGJS-BDFRZKONSA-N 2 2 284.447 3.254 20 0 CGADLP CC[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC[C@H]1c1ccccc1 ZINC000634993596 351619547 /nfs/dbraw/zinc/61/95/47/351619547.db2.gz ZJTCQVYXVCYGJS-BDFRZKONSA-N 2 2 284.447 3.254 20 0 CGADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000336492327 213365736 /nfs/dbraw/zinc/36/57/36/213365736.db2.gz PWLHANXXHIUMMW-UHFFFAOYSA-N 2 2 265.744 3.036 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122275077 187024011 /nfs/dbraw/zinc/02/40/11/187024011.db2.gz MOZBHDKPEIKJMQ-DGCLKSJQSA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000122275077 187024012 /nfs/dbraw/zinc/02/40/12/187024012.db2.gz MOZBHDKPEIKJMQ-DGCLKSJQSA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000122320320 187026472 /nfs/dbraw/zinc/02/64/72/187026472.db2.gz BEJVGYGMPJWDDZ-YPMHNXCESA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000122320320 187026473 /nfs/dbraw/zinc/02/64/73/187026473.db2.gz BEJVGYGMPJWDDZ-YPMHNXCESA-N 2 2 296.361 3.003 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123117708 187072374 /nfs/dbraw/zinc/07/23/74/187072374.db2.gz MUXGMQZDYJLQHM-WBVHZDCISA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123117708 187072375 /nfs/dbraw/zinc/07/23/75/187072375.db2.gz MUXGMQZDYJLQHM-WBVHZDCISA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123117708 187072376 /nfs/dbraw/zinc/07/23/76/187072376.db2.gz MUXGMQZDYJLQHM-WBVHZDCISA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123117708 187072377 /nfs/dbraw/zinc/07/23/77/187072377.db2.gz MUXGMQZDYJLQHM-WBVHZDCISA-N 2 2 290.451 3.388 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000123400394 187089623 /nfs/dbraw/zinc/08/96/23/187089623.db2.gz KAQLKLDNILQDEC-HNNXBMFYSA-N 2 2 283.419 3.452 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000123633463 187101772 /nfs/dbraw/zinc/10/17/72/187101772.db2.gz HRMQTBANWBRBMW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000123633463 187101773 /nfs/dbraw/zinc/10/17/73/187101773.db2.gz HRMQTBANWBRBMW-KRWDZBQOSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1F ZINC000367368731 234208531 /nfs/dbraw/zinc/20/85/31/234208531.db2.gz WKKCHHOGLKESJS-NSHDSACASA-N 2 2 291.345 3.348 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368101455 234281937 /nfs/dbraw/zinc/28/19/37/234281937.db2.gz KJBPFISKTIWDLM-GDBMZVCRSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368101455 234281941 /nfs/dbraw/zinc/28/19/41/234281941.db2.gz KJBPFISKTIWDLM-GDBMZVCRSA-N 2 2 283.419 3.186 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000152513582 188025722 /nfs/dbraw/zinc/02/57/22/188025722.db2.gz RRXGNWJBOLFASS-BXWFABGCSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000152513582 188025723 /nfs/dbraw/zinc/02/57/23/188025723.db2.gz RRXGNWJBOLFASS-BXWFABGCSA-N 2 2 295.430 3.253 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCSc3ccccc31)C2 ZINC000368104696 234283097 /nfs/dbraw/zinc/28/30/97/234283097.db2.gz IRZFREXAFDYKBW-WCQYABFASA-N 2 2 285.416 3.094 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000368104696 234283101 /nfs/dbraw/zinc/28/31/01/234283101.db2.gz IRZFREXAFDYKBW-WCQYABFASA-N 2 2 285.416 3.094 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000336446072 213310702 /nfs/dbraw/zinc/31/07/02/213310702.db2.gz CXPAJDLEYJUAAT-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000336446072 213310704 /nfs/dbraw/zinc/31/07/04/213310704.db2.gz CXPAJDLEYJUAAT-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783712 188161407 /nfs/dbraw/zinc/16/14/07/188161407.db2.gz KOIWISCZRRZOSZ-KEYYUXOJSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783712 188161408 /nfs/dbraw/zinc/16/14/08/188161408.db2.gz KOIWISCZRRZOSZ-KEYYUXOJSA-N 2 2 299.418 3.160 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)oc1C ZINC000369226452 234363269 /nfs/dbraw/zinc/36/32/69/234363269.db2.gz USJHVTIYGJPSMY-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cncc(F)c1 ZINC000156212867 188249166 /nfs/dbraw/zinc/24/91/66/188249166.db2.gz AKXYTHUUQPRZJI-LBPRGKRZSA-N 2 2 298.365 3.380 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000158107938 188357737 /nfs/dbraw/zinc/35/77/37/188357737.db2.gz PTZKQXMTIWGRSH-CYBMUJFWSA-N 2 2 262.397 3.113 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336364286 213215438 /nfs/dbraw/zinc/21/54/38/213215438.db2.gz WTCQUULYEWRDDV-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336364286 213215440 /nfs/dbraw/zinc/21/54/40/213215440.db2.gz WTCQUULYEWRDDV-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000442774434 291082142 /nfs/dbraw/zinc/08/21/42/291082142.db2.gz ZCYDINYOMUAKQK-YWPUVAFDSA-N 2 2 272.383 3.025 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000442774434 291082144 /nfs/dbraw/zinc/08/21/44/291082144.db2.gz ZCYDINYOMUAKQK-YWPUVAFDSA-N 2 2 272.383 3.025 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000123658151 138369016 /nfs/dbraw/zinc/36/90/16/138369016.db2.gz OCIBBRBXWMBMEM-ZDUSSCGKSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000123658151 138369017 /nfs/dbraw/zinc/36/90/17/138369017.db2.gz OCIBBRBXWMBMEM-ZDUSSCGKSA-N 2 2 283.485 3.246 20 0 CGADLP C[N@H+](Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000111824611 138364439 /nfs/dbraw/zinc/36/44/39/138364439.db2.gz BQTVMGAVUXRMDB-ZDUSSCGKSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000111824611 138364440 /nfs/dbraw/zinc/36/44/40/138364440.db2.gz BQTVMGAVUXRMDB-ZDUSSCGKSA-N 2 2 297.240 3.023 20 0 CGADLP c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000115519334 138365657 /nfs/dbraw/zinc/36/56/57/138365657.db2.gz ZKLBSOMMIHJJAC-UHFFFAOYSA-N 2 2 273.405 3.220 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000124331244 138374521 /nfs/dbraw/zinc/37/45/21/138374521.db2.gz MJGKZJLHECKLHF-UHFFFAOYSA-N 2 2 284.806 3.445 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000128605033 138394007 /nfs/dbraw/zinc/39/40/07/138394007.db2.gz RTMVSVTZHWVDAK-FRRDWIJNSA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000128605033 138394009 /nfs/dbraw/zinc/39/40/09/138394009.db2.gz RTMVSVTZHWVDAK-FRRDWIJNSA-N 2 2 281.469 3.085 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423241740 236006276 /nfs/dbraw/zinc/00/62/76/236006276.db2.gz VJEAJOZHVOMMSJ-CABCVRRESA-N 2 2 298.352 3.498 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000423253235 236010000 /nfs/dbraw/zinc/01/00/00/236010000.db2.gz YUOUVBGIAXTFFS-QZTJIDSGSA-N 2 2 266.388 3.427 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316215 236035397 /nfs/dbraw/zinc/03/53/97/236035397.db2.gz ATJBTVIVCCYTTR-VXGBXAGGSA-N 2 2 289.448 3.040 20 0 CGADLP Cc1cc[nH+]cc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000336263412 213101396 /nfs/dbraw/zinc/10/13/96/213101396.db2.gz KFXHTCUFJMYNPF-STQMWFEESA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)o1 ZINC000423391410 236061410 /nfs/dbraw/zinc/06/14/10/236061410.db2.gz PJEOKKWHLDCYJF-TZMCWYRMSA-N 2 2 250.386 3.017 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423361241 236050998 /nfs/dbraw/zinc/05/09/98/236050998.db2.gz MIXRFMQLHOYNJY-LERXQTSPSA-N 2 2 296.867 3.465 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423367133 236051900 /nfs/dbraw/zinc/05/19/00/236051900.db2.gz QUZYIOKINVOZPM-VCBZYWHSSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423558464 236098843 /nfs/dbraw/zinc/09/88/43/236098843.db2.gz NRRKJQBFHWXTKY-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423558467 236098962 /nfs/dbraw/zinc/09/89/62/236098962.db2.gz NRRKJQBFHWXTKY-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1c[nH+]cn1C(C)C ZINC000424160292 236127010 /nfs/dbraw/zinc/12/70/10/236127010.db2.gz UCBMBBLNPWBGJQ-MRXNPFEDSA-N 2 2 285.391 3.304 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000488407152 291156577 /nfs/dbraw/zinc/15/65/77/291156577.db2.gz DSHQUDAPUJQCPA-YOEHRIQHSA-N 2 2 272.436 3.069 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000488407152 291156580 /nfs/dbraw/zinc/15/65/80/291156580.db2.gz DSHQUDAPUJQCPA-YOEHRIQHSA-N 2 2 272.436 3.069 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC000437107811 237252161 /nfs/dbraw/zinc/25/21/61/237252161.db2.gz CFPTVMQQSFWYHE-DLBZAZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000437754153 237339286 /nfs/dbraw/zinc/33/92/86/237339286.db2.gz AQZKBITWSUNSQG-QZTJIDSGSA-N 2 2 272.436 3.182 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC[N@@H+]1C ZINC000437779495 237347833 /nfs/dbraw/zinc/34/78/33/237347833.db2.gz VDKMWCIFWPNGNI-OQIJWPOYSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC[N@H+]1C ZINC000437779495 237347836 /nfs/dbraw/zinc/34/78/36/237347836.db2.gz VDKMWCIFWPNGNI-OQIJWPOYSA-N 2 2 286.463 3.470 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000297725496 200268990 /nfs/dbraw/zinc/26/89/90/200268990.db2.gz SEFKNCVWHJXPND-CQSZACIVSA-N 2 2 275.421 3.107 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000297725496 200268991 /nfs/dbraw/zinc/26/89/91/200268991.db2.gz SEFKNCVWHJXPND-CQSZACIVSA-N 2 2 275.421 3.107 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CCCCC1 ZINC000177208995 189036533 /nfs/dbraw/zinc/03/65/33/189036533.db2.gz YWORGPKDISFIHK-AWEZNQCLSA-N 2 2 284.407 3.326 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000341902144 216146359 /nfs/dbraw/zinc/14/63/59/216146359.db2.gz UUKUUNHYWXHCLI-WMZOPIPTSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000341902144 216146360 /nfs/dbraw/zinc/14/63/60/216146360.db2.gz UUKUUNHYWXHCLI-WMZOPIPTSA-N 2 2 290.451 3.002 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000177260631 189040438 /nfs/dbraw/zinc/04/04/38/189040438.db2.gz ISWIEADSPDEHPM-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000177260631 189040439 /nfs/dbraw/zinc/04/04/39/189040439.db2.gz ISWIEADSPDEHPM-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccsc1 ZINC000177829448 189072524 /nfs/dbraw/zinc/07/25/24/189072524.db2.gz ZPJNEDBRSSSCRL-LBPRGKRZSA-N 2 2 271.389 3.289 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000178539322 189125531 /nfs/dbraw/zinc/12/55/31/189125531.db2.gz FBUQLGDRFMTQIY-DZGCQCFKSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000178539322 189125532 /nfs/dbraw/zinc/12/55/32/189125532.db2.gz FBUQLGDRFMTQIY-DZGCQCFKSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539322 189125533 /nfs/dbraw/zinc/12/55/33/189125533.db2.gz FBUQLGDRFMTQIY-DZGCQCFKSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539322 189125534 /nfs/dbraw/zinc/12/55/34/189125534.db2.gz FBUQLGDRFMTQIY-DZGCQCFKSA-N 2 2 272.392 3.347 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000181702801 189305064 /nfs/dbraw/zinc/30/50/64/189305064.db2.gz SUCIVZXALAORRE-INIZCTEOSA-N 2 2 287.407 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]cc2Cl)cn1 ZINC000301522612 201045975 /nfs/dbraw/zinc/04/59/75/201045975.db2.gz OCEYTZUPGOTFHC-UHFFFAOYSA-N 2 2 299.765 3.236 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000301536064 201053747 /nfs/dbraw/zinc/05/37/47/201053747.db2.gz IWUVPRKWWXEJKA-UHFFFAOYSA-N 2 2 298.312 3.498 20 0 CGADLP C[C@H](c1ccco1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182947646 189340586 /nfs/dbraw/zinc/34/05/86/189340586.db2.gz OAZWBEVUIMZVFH-CYBMUJFWSA-N 2 2 259.353 3.092 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182947646 189340587 /nfs/dbraw/zinc/34/05/87/189340587.db2.gz OAZWBEVUIMZVFH-CYBMUJFWSA-N 2 2 259.353 3.092 20 0 CGADLP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301619430 201099781 /nfs/dbraw/zinc/09/97/81/201099781.db2.gz XCEDUWUHESHBEY-TZMCWYRMSA-N 2 2 276.428 3.049 20 0 CGADLP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301619430 201099784 /nfs/dbraw/zinc/09/97/84/201099784.db2.gz XCEDUWUHESHBEY-TZMCWYRMSA-N 2 2 276.428 3.049 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cc(C)cc[nH+]1)c1ccco1 ZINC000301651196 201116459 /nfs/dbraw/zinc/11/64/59/201116459.db2.gz QDEZDNYDKWSQKG-CQSZACIVSA-N 2 2 273.380 3.478 20 0 CGADLP Cc1cc(N[C@H](C)CC[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301651081 201117281 /nfs/dbraw/zinc/11/72/81/201117281.db2.gz GGJAMMCKWADMQZ-LLVKDONJSA-N 2 2 275.371 3.434 20 0 CGADLP c1cn(CCC[N@@H+]2CCSC[C@H]2c2ccccc2)c[nH+]1 ZINC000183179324 189349441 /nfs/dbraw/zinc/34/94/41/189349441.db2.gz OJYITZBHRMGGAO-INIZCTEOSA-N 2 2 287.432 3.063 20 0 CGADLP c1cn(CCC[N@H+]2CCSC[C@H]2c2ccccc2)c[nH+]1 ZINC000183179324 189349442 /nfs/dbraw/zinc/34/94/42/189349442.db2.gz OJYITZBHRMGGAO-INIZCTEOSA-N 2 2 287.432 3.063 20 0 CGADLP CC(C)c1cc(N[C@H](C)CC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301848233 201230111 /nfs/dbraw/zinc/23/01/11/201230111.db2.gz CIZYIUILZLDXAU-CYBMUJFWSA-N 2 2 278.444 3.476 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000449188843 239234226 /nfs/dbraw/zinc/23/42/26/239234226.db2.gz GIMJLMBPKSVOOR-QFSBIZTOSA-N 2 2 294.389 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000449188843 239234229 /nfs/dbraw/zinc/23/42/29/239234229.db2.gz GIMJLMBPKSVOOR-QFSBIZTOSA-N 2 2 294.389 3.141 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3ccoc32)CCC[N@@H+]1C ZINC000449236691 239261812 /nfs/dbraw/zinc/26/18/12/239261812.db2.gz YWQRJPSQUUPIOZ-WFASDCNBSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3ccoc32)CCC[N@H+]1C ZINC000449236691 239261816 /nfs/dbraw/zinc/26/18/16/239261816.db2.gz YWQRJPSQUUPIOZ-WFASDCNBSA-N 2 2 258.365 3.005 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449272360 239283211 /nfs/dbraw/zinc/28/32/11/239283211.db2.gz VVTXJHFEGSZZAR-HIFRSBDPSA-N 2 2 266.816 3.127 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120019841 370732000 /nfs/dbraw/zinc/73/20/00/370732000.db2.gz NSNNSSNNPYXUAU-WFASDCNBSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000120019841 370732005 /nfs/dbraw/zinc/73/20/05/370732005.db2.gz NSNNSSNNPYXUAU-WFASDCNBSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119852567 370715701 /nfs/dbraw/zinc/71/57/01/370715701.db2.gz MHJBXDWAGPXVRE-VNHYZAJKSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119852567 370715704 /nfs/dbraw/zinc/71/57/04/370715704.db2.gz MHJBXDWAGPXVRE-VNHYZAJKSA-N 2 2 296.480 3.206 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@@H+]1C ZINC000421344335 291309847 /nfs/dbraw/zinc/30/98/47/291309847.db2.gz PJUSJYPZMOBTAL-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@H+]1C ZINC000421344335 291309849 /nfs/dbraw/zinc/30/98/49/291309849.db2.gz PJUSJYPZMOBTAL-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2n1 ZINC000275553786 193073452 /nfs/dbraw/zinc/07/34/52/193073452.db2.gz CQXGRWNRWBXRQM-DJJJIMSYSA-N 2 2 295.430 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc2n1 ZINC000275553786 193073454 /nfs/dbraw/zinc/07/34/54/193073454.db2.gz CQXGRWNRWBXRQM-DJJJIMSYSA-N 2 2 295.430 3.116 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275741784 193117446 /nfs/dbraw/zinc/11/74/46/193117446.db2.gz RIWZKRUOOKRGTP-KBAYOESNSA-N 2 2 283.419 3.273 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000459290263 242054795 /nfs/dbraw/zinc/05/47/95/242054795.db2.gz BZLRSMQAGOMXSN-QGZVFWFLSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000459290263 242054801 /nfs/dbraw/zinc/05/48/01/242054801.db2.gz BZLRSMQAGOMXSN-QGZVFWFLSA-N 2 2 283.419 3.060 20 0 CGADLP CC(C)CC[NH+](CCc1c[nH+]cn1C)CCC(C)C ZINC000459297081 242059862 /nfs/dbraw/zinc/05/98/62/242059862.db2.gz MYZYXJRKEXTVQK-UHFFFAOYSA-N 2 2 265.445 3.357 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459434718 242108311 /nfs/dbraw/zinc/10/83/11/242108311.db2.gz NXCNTNKGSWSPFJ-WBVHZDCISA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459434718 242108315 /nfs/dbraw/zinc/10/83/15/242108315.db2.gz NXCNTNKGSWSPFJ-WBVHZDCISA-N 2 2 283.419 3.231 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000459542683 242127470 /nfs/dbraw/zinc/12/74/70/242127470.db2.gz BHMKANFRUJMMMO-UHFFFAOYSA-N 2 2 268.832 3.202 20 0 CGADLP Cc1cc(F)c(C[NH2+]CCCn2cc[nH+]c2)c(Cl)c1 ZINC000459356869 242089384 /nfs/dbraw/zinc/08/93/84/242089384.db2.gz BGJJUPSVQFMZKR-UHFFFAOYSA-N 2 2 281.762 3.164 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668783 242171382 /nfs/dbraw/zinc/17/13/82/242171382.db2.gz UAKKSCLTHBLWBC-LLVKDONJSA-N 2 2 297.855 3.288 20 0 CGADLP COc1cccc2c1C[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C2 ZINC000459739445 242202299 /nfs/dbraw/zinc/20/22/99/242202299.db2.gz YLOGZRUOHSLTMB-KRWDZBQOSA-N 2 2 296.414 3.088 20 0 CGADLP c1ccc(NCCCC[NH2+]C[C@@H]2CC=CCC2)[nH+]c1 ZINC000121645774 370881811 /nfs/dbraw/zinc/88/18/11/370881811.db2.gz LECFTDBYZTWSKE-OAHLLOKOSA-N 2 2 259.397 3.220 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1sccc1Cl ZINC000304366289 201655822 /nfs/dbraw/zinc/65/58/22/201655822.db2.gz IQHMFBOPAUGSCY-NSHDSACASA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1sccc1Cl ZINC000304366289 201655826 /nfs/dbraw/zinc/65/58/26/201655826.db2.gz IQHMFBOPAUGSCY-NSHDSACASA-N 2 2 260.834 3.207 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000482245299 243221951 /nfs/dbraw/zinc/22/19/51/243221951.db2.gz PSWIPLWZWXLDDY-UXLLHSPISA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)C(C)(C)c2ccccc2)[C@@H](C)C1 ZINC000482245299 243221956 /nfs/dbraw/zinc/22/19/56/243221956.db2.gz PSWIPLWZWXLDDY-UXLLHSPISA-N 2 2 274.452 3.283 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)c1ccccc1 ZINC000483707579 243295915 /nfs/dbraw/zinc/29/59/15/243295915.db2.gz AVVJONNWYVJRCW-UAGQMJEPSA-N 2 2 274.452 3.283 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)c1ccccc1 ZINC000483707579 243295918 /nfs/dbraw/zinc/29/59/18/243295918.db2.gz AVVJONNWYVJRCW-UAGQMJEPSA-N 2 2 274.452 3.283 20 0 CGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000343497689 216795993 /nfs/dbraw/zinc/79/59/93/216795993.db2.gz SHMXRHMVLISJNG-VXGBXAGGSA-N 2 2 288.357 3.176 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000034958728 368982982 /nfs/dbraw/zinc/98/29/82/368982982.db2.gz MORFDDPLOUQGTN-NSHDSACASA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000034958728 368982984 /nfs/dbraw/zinc/98/29/84/368982984.db2.gz MORFDDPLOUQGTN-NSHDSACASA-N 2 2 273.207 3.164 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904564 369036598 /nfs/dbraw/zinc/03/65/98/369036598.db2.gz YCSHWORRARNUAP-WBVHZDCISA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904564 369036600 /nfs/dbraw/zinc/03/66/00/369036600.db2.gz YCSHWORRARNUAP-WBVHZDCISA-N 2 2 260.425 3.285 20 0 CGADLP CC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000036932151 369039604 /nfs/dbraw/zinc/03/96/04/369039604.db2.gz PUTRFGNROXUOMB-UHFFFAOYSA-N 2 2 273.424 3.219 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932126 369040271 /nfs/dbraw/zinc/04/02/71/369040271.db2.gz WLMUPYWSSHPSNH-ZIAGYGMSSA-N 2 2 261.413 3.075 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157308 369072323 /nfs/dbraw/zinc/07/23/23/369072323.db2.gz UEKXNDQKDXRVTD-UONOGXRCSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000037157018 369072460 /nfs/dbraw/zinc/07/24/60/369072460.db2.gz RUADLKMPJFXGNZ-UONOGXRCSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc2ccccc2c1 ZINC000423356020 299397070 /nfs/dbraw/zinc/39/70/70/299397070.db2.gz GITBRPUMNFBOPZ-QWQRMKEZSA-N 2 2 268.404 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000040502246 369158081 /nfs/dbraw/zinc/15/80/81/369158081.db2.gz AWKZZSQIINAWMA-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000040502246 369158088 /nfs/dbraw/zinc/15/80/88/369158088.db2.gz AWKZZSQIINAWMA-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000041118885 369174315 /nfs/dbraw/zinc/17/43/15/369174315.db2.gz GMTTZNSKKKHKJW-LLVKDONJSA-N 2 2 299.296 3.133 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000493734662 244221583 /nfs/dbraw/zinc/22/15/83/244221583.db2.gz IQJLQLNMOQXOII-IIYDPXPESA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000493734662 244221589 /nfs/dbraw/zinc/22/15/89/244221589.db2.gz IQJLQLNMOQXOII-IIYDPXPESA-N 2 2 276.399 3.267 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684168 369266237 /nfs/dbraw/zinc/26/62/37/369266237.db2.gz BNOWQCGDPNPWKL-SMDDNHRTSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684168 369266244 /nfs/dbraw/zinc/26/62/44/369266244.db2.gz BNOWQCGDPNPWKL-SMDDNHRTSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(Br)c1 ZINC000045663441 369283932 /nfs/dbraw/zinc/28/39/32/369283932.db2.gz VHFQTEYJPVUQEA-LBPRGKRZSA-N 2 2 299.256 3.442 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000045663235 369283941 /nfs/dbraw/zinc/28/39/41/369283941.db2.gz MKBQJHSSNQRIRW-LBPRGKRZSA-N 2 2 254.805 3.332 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000494923949 244330528 /nfs/dbraw/zinc/33/05/28/244330528.db2.gz RPOXGGDPOXOGAX-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495066618 244350748 /nfs/dbraw/zinc/35/07/48/244350748.db2.gz MEZBYBYMVDEIFZ-DHSIGJKJSA-N 2 2 287.451 3.203 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049855418 369418285 /nfs/dbraw/zinc/41/82/85/369418285.db2.gz GSGUTUZJNPZCON-WMLDXEAASA-N 2 2 285.391 3.092 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000050340740 369436227 /nfs/dbraw/zinc/43/62/27/369436227.db2.gz RMUIODHDFJMICK-ZDUSSCGKSA-N 2 2 287.432 3.463 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000053201745 369480458 /nfs/dbraw/zinc/48/04/58/369480458.db2.gz LQWYNGRDOZHXLT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000053201745 369480465 /nfs/dbraw/zinc/48/04/65/369480465.db2.gz LQWYNGRDOZHXLT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465548 369503290 /nfs/dbraw/zinc/50/32/90/369503290.db2.gz BILWUINTHKGQKH-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465548 369503297 /nfs/dbraw/zinc/50/32/97/369503297.db2.gz BILWUINTHKGQKH-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CC[NH3+] ZINC000054416712 369503667 /nfs/dbraw/zinc/50/36/67/369503667.db2.gz UGMJJKBIIDGXIF-AWEZNQCLSA-N 2 2 254.377 3.305 20 0 CGADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CC[NH3+] ZINC000054416712 369503671 /nfs/dbraw/zinc/50/36/71/369503671.db2.gz UGMJJKBIIDGXIF-AWEZNQCLSA-N 2 2 254.377 3.305 20 0 CGADLP CCc1ccc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C(C)C)cc1 ZINC000054763763 369506075 /nfs/dbraw/zinc/50/60/75/369506075.db2.gz XGHKKKKNLFHRSZ-INIZCTEOSA-N 2 2 257.381 3.459 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129526529 370991121 /nfs/dbraw/zinc/99/11/21/370991121.db2.gz UYSBXJLXHLOQHZ-DOTOQJQBSA-N 2 2 299.418 3.365 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129526529 370991127 /nfs/dbraw/zinc/99/11/27/370991127.db2.gz UYSBXJLXHLOQHZ-DOTOQJQBSA-N 2 2 299.418 3.365 20 0 CGADLP Nc1cc(C[NH+]2CCC3(CCCCC3)CC2)cc[nH+]1 ZINC000061822109 369608052 /nfs/dbraw/zinc/60/80/52/369608052.db2.gz CXXJNKPSDCARFM-UHFFFAOYSA-N 2 2 259.397 3.210 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062705987 369628745 /nfs/dbraw/zinc/62/87/45/369628745.db2.gz QPGUCEZUDCXPEO-UHFFFAOYSA-N 2 2 286.341 3.066 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000063191419 369642557 /nfs/dbraw/zinc/64/25/57/369642557.db2.gz VVQRKFKULFTPBP-IUODEOHRSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000063191419 369642564 /nfs/dbraw/zinc/64/25/64/369642564.db2.gz VVQRKFKULFTPBP-IUODEOHRSA-N 2 2 258.365 3.135 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000072859600 369841689 /nfs/dbraw/zinc/84/16/89/369841689.db2.gz INAAMAZNMYFGMK-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccccc3s2)C1 ZINC000072859600 369841693 /nfs/dbraw/zinc/84/16/93/369841693.db2.gz INAAMAZNMYFGMK-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000072859600 369841697 /nfs/dbraw/zinc/84/16/97/369841697.db2.gz INAAMAZNMYFGMK-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000072859600 369841699 /nfs/dbraw/zinc/84/16/99/369841699.db2.gz INAAMAZNMYFGMK-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171844 369786005 /nfs/dbraw/zinc/78/60/05/369786005.db2.gz SIIRFVFVHLCHSF-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171844 369786007 /nfs/dbraw/zinc/78/60/07/369786007.db2.gz SIIRFVFVHLCHSF-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000070284917 369794322 /nfs/dbraw/zinc/79/43/22/369794322.db2.gz QDQGKFAKXRRHPM-QGZVFWFLSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000070284917 369794326 /nfs/dbraw/zinc/79/43/26/369794326.db2.gz QDQGKFAKXRRHPM-QGZVFWFLSA-N 2 2 290.476 3.136 20 0 CGADLP COc1ccc([C@@H](C[NH2+]C(C)C)[NH+]2CCCCC2)cc1 ZINC000075825502 369917424 /nfs/dbraw/zinc/91/74/24/369917424.db2.gz YMIXNWVQZJPXIZ-QGZVFWFLSA-N 2 2 276.424 3.220 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1coc2ccccc12 ZINC000091892404 370075964 /nfs/dbraw/zinc/07/59/64/370075964.db2.gz VJPNXXRXXWWPKC-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1coc2ccccc12 ZINC000091892404 370075969 /nfs/dbraw/zinc/07/59/69/370075969.db2.gz VJPNXXRXXWWPKC-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccccc12 ZINC000091892404 370075974 /nfs/dbraw/zinc/07/59/74/370075974.db2.gz VJPNXXRXXWWPKC-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc2ccccc12 ZINC000091892404 370075977 /nfs/dbraw/zinc/07/59/77/370075977.db2.gz VJPNXXRXXWWPKC-CVEARBPZSA-N 2 2 284.403 3.491 20 0 CGADLP CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000091892247 370076673 /nfs/dbraw/zinc/07/66/73/370076673.db2.gz BYJJIBRBHVCNMG-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000091892247 370076678 /nfs/dbraw/zinc/07/66/78/370076678.db2.gz BYJJIBRBHVCNMG-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1 ZINC000091892247 370076682 /nfs/dbraw/zinc/07/66/82/370076682.db2.gz BYJJIBRBHVCNMG-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1 ZINC000091892247 370076686 /nfs/dbraw/zinc/07/66/86/370076686.db2.gz BYJJIBRBHVCNMG-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP C1=CC[C@H](C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092785553 370100605 /nfs/dbraw/zinc/10/06/05/370100605.db2.gz CEOBPAGFFSCGHH-DLBZAZTESA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@H](C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092785553 370100609 /nfs/dbraw/zinc/10/06/09/370100609.db2.gz CEOBPAGFFSCGHH-DLBZAZTESA-N 2 2 262.441 3.293 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCC1 ZINC000097928230 370257215 /nfs/dbraw/zinc/25/72/15/370257215.db2.gz PBIWJUHDMXSEHY-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928944 370257786 /nfs/dbraw/zinc/25/77/86/370257786.db2.gz TUULBVVSRQULGQ-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000101726467 370295057 /nfs/dbraw/zinc/29/50/57/370295057.db2.gz FCECSHBYUHZDRA-UHFFFAOYSA-N 2 2 274.452 3.411 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512024424 245013725 /nfs/dbraw/zinc/01/37/25/245013725.db2.gz NHQHAKONYYVRLS-OMVAHEFMSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512024424 245013730 /nfs/dbraw/zinc/01/37/30/245013730.db2.gz NHQHAKONYYVRLS-OMVAHEFMSA-N 2 2 292.373 3.050 20 0 CGADLP Cc1cccc(NC[C@H](c2cccs2)[NH+](C)C)[nH+]1 ZINC000114183508 370493010 /nfs/dbraw/zinc/49/30/10/370493010.db2.gz WDEANOVODMLEIF-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000277410973 193646458 /nfs/dbraw/zinc/64/64/58/193646458.db2.gz IKKRHMBQNHQNQM-OAHLLOKOSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000277410973 193646459 /nfs/dbraw/zinc/64/64/59/193646459.db2.gz IKKRHMBQNHQNQM-OAHLLOKOSA-N 2 2 284.806 3.395 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCSc2ccccc2)CC1 ZINC000117878893 370601320 /nfs/dbraw/zinc/60/13/20/370601320.db2.gz SRYGVHUDZDFGCS-UHFFFAOYSA-N 2 2 278.465 3.241 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC000116912537 370575118 /nfs/dbraw/zinc/57/51/18/370575118.db2.gz SUHISFASSQZEDG-UHFFFAOYSA-N 2 2 264.388 3.098 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842478 370628375 /nfs/dbraw/zinc/62/83/75/370628375.db2.gz ZEAPTYQQEYTGNR-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842478 370628382 /nfs/dbraw/zinc/62/83/82/370628382.db2.gz ZEAPTYQQEYTGNR-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842478 370628387 /nfs/dbraw/zinc/62/83/87/370628387.db2.gz ZEAPTYQQEYTGNR-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842478 370628395 /nfs/dbraw/zinc/62/83/95/370628395.db2.gz ZEAPTYQQEYTGNR-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000130674298 371050003 /nfs/dbraw/zinc/05/00/03/371050003.db2.gz YMBCXFVOSJIMJY-ZDUSSCGKSA-N 2 2 257.381 3.045 20 0 CGADLP CC(C)[C@H](c1ccccc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131316759 371098168 /nfs/dbraw/zinc/09/81/68/371098168.db2.gz ZBAUIEIIHCXRJU-MRXNPFEDSA-N 2 2 257.381 3.212 20 0 CGADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131316759 371098178 /nfs/dbraw/zinc/09/81/78/371098178.db2.gz ZBAUIEIIHCXRJU-MRXNPFEDSA-N 2 2 257.381 3.212 20 0 CGADLP c1cn(CC[NH2+][C@@H](c2ccccc2)C2CCC2)c[nH+]1 ZINC000131910405 371139432 /nfs/dbraw/zinc/13/94/32/371139432.db2.gz ANIZXHQDKCOBRX-INIZCTEOSA-N 2 2 255.365 3.014 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1(C)CC1 ZINC000132264309 371162331 /nfs/dbraw/zinc/16/23/31/371162331.db2.gz TZQMKRQOEDIVPE-OAHLLOKOSA-N 2 2 283.419 3.252 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135122673 371393337 /nfs/dbraw/zinc/39/33/37/371393337.db2.gz REDLMLIKFQARSG-UHFFFAOYSA-N 2 2 284.403 3.342 20 0 CGADLP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136081601 371460178 /nfs/dbraw/zinc/46/01/78/371460178.db2.gz UDUGARFXEDBYAO-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136081601 371460179 /nfs/dbraw/zinc/46/01/79/371460179.db2.gz UDUGARFXEDBYAO-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000151108083 371569648 /nfs/dbraw/zinc/56/96/48/371569648.db2.gz YAUKRKBVOJJVEY-AWEZNQCLSA-N 2 2 291.395 3.239 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000151122735 371571791 /nfs/dbraw/zinc/57/17/91/371571791.db2.gz IFHCRXSRMWEAOV-GFCCVEGCSA-N 2 2 293.798 3.286 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000151127337 371574230 /nfs/dbraw/zinc/57/42/30/371574230.db2.gz XZPUTGWPBOZZPV-DLBZAZTESA-N 2 2 269.392 3.199 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000151669109 371624213 /nfs/dbraw/zinc/62/42/13/371624213.db2.gz CQQAIZDSIUNVPT-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP COC1([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)CCCCC1 ZINC000421833214 371657861 /nfs/dbraw/zinc/65/78/61/371657861.db2.gz NJHHMMIYHZYLIP-OAHLLOKOSA-N 2 2 291.439 3.211 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000152250811 371683587 /nfs/dbraw/zinc/68/35/87/371683587.db2.gz QJAAPGMAPYRGQA-HNNXBMFYSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1ncsc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422746720 371781503 /nfs/dbraw/zinc/78/15/03/371781503.db2.gz XAQLDFTWDMDEDM-LSDHHAIUSA-N 2 2 287.432 3.034 20 0 CGADLP Cc1ncsc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422746718 371781666 /nfs/dbraw/zinc/78/16/66/371781666.db2.gz XAQLDFTWDMDEDM-GJZGRUSLSA-N 2 2 287.432 3.034 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422772380 371796717 /nfs/dbraw/zinc/79/67/17/371796717.db2.gz XDAOPPGAWPIBAU-ZIAGYGMSSA-N 2 2 282.815 3.098 20 0 CGADLP Cc1ccc(SCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422775080 371799645 /nfs/dbraw/zinc/79/96/45/371799645.db2.gz ZUHDNDNIXMDHAZ-GOEBONIOSA-N 2 2 278.465 3.207 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422791182 371811455 /nfs/dbraw/zinc/81/14/55/371811455.db2.gz VPQHNDLHTFZOFY-CABCVRRESA-N 2 2 266.816 3.379 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000422803504 371819319 /nfs/dbraw/zinc/81/93/19/371819319.db2.gz JAIHSAWDLRKTOA-JTNHKYCSSA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880652 371851806 /nfs/dbraw/zinc/85/18/06/371851806.db2.gz XJAXWBXQZRCUQA-XZJROXQQSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000422884379 371853367 /nfs/dbraw/zinc/85/33/67/371853367.db2.gz SBOGKZSNSDAWGF-UHIISALHSA-N 2 2 284.350 3.079 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422890526 371857719 /nfs/dbraw/zinc/85/77/19/371857719.db2.gz ILZZVOHFLMMJKS-QWHCGFSZSA-N 2 2 291.420 3.153 20 0 CGADLP COCC(C)(C)CCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289964310 371864754 /nfs/dbraw/zinc/86/47/54/371864754.db2.gz CQDWRWWBAVSWKJ-UHFFFAOYSA-N 2 2 289.423 3.185 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422935129 371879498 /nfs/dbraw/zinc/87/94/98/371879498.db2.gz KTKUSRVQTOUOIB-BXUZGUMPSA-N 2 2 287.432 3.131 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423063575 371941565 /nfs/dbraw/zinc/94/15/65/371941565.db2.gz PGAXWDQCSZLYIF-IACUBPJLSA-N 2 2 286.341 3.063 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCSC(C)C)n1-c1ccccc1 ZINC000290235135 371942227 /nfs/dbraw/zinc/94/22/27/371942227.db2.gz YUVYMPDXDFESGE-UHFFFAOYSA-N 2 2 289.448 3.412 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC(F)(F)F ZINC000290347794 371967398 /nfs/dbraw/zinc/96/73/98/371967398.db2.gz LPYZDFNOSIYQKS-UHFFFAOYSA-N 2 2 260.303 3.255 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000037179316 541864420 /nfs/dbraw/zinc/86/44/20/541864420.db2.gz XVMZYYXKQRBZSM-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCC3)C2)cc1 ZINC000037179316 541864422 /nfs/dbraw/zinc/86/44/22/541864422.db2.gz XVMZYYXKQRBZSM-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](CCO)c1ccccc1 ZINC000290396935 371980073 /nfs/dbraw/zinc/98/00/73/371980073.db2.gz OZHTUZFIRPDGHU-IBGZPJMESA-N 2 2 298.430 3.078 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000156550890 371984473 /nfs/dbraw/zinc/98/44/73/371984473.db2.gz RJIQQMJBMQAHQI-ROUUACIJSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000156550890 371984477 /nfs/dbraw/zinc/98/44/77/371984477.db2.gz RJIQQMJBMQAHQI-ROUUACIJSA-N 2 2 272.436 3.082 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423152714 371994696 /nfs/dbraw/zinc/99/46/96/371994696.db2.gz MAZNOXYRKACWAZ-KCMWZYNZSA-N 2 2 288.435 3.124 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc2c1 ZINC000423191712 372017282 /nfs/dbraw/zinc/01/72/82/372017282.db2.gz PAGQVHHYZOKFLQ-OCCSQVGLSA-N 2 2 258.365 3.144 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423193409 372018893 /nfs/dbraw/zinc/01/88/93/372018893.db2.gz QNXXXHLMJBNSPM-JSGCOSHPSA-N 2 2 284.350 3.081 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423196046 372020584 /nfs/dbraw/zinc/02/05/84/372020584.db2.gz UOCHMEQJFFPRPP-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423196860 372021464 /nfs/dbraw/zinc/02/14/64/372021464.db2.gz WQKWVQLOSURYOP-PKOBYXMFSA-N 2 2 296.414 3.126 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CC[NH2+]C3)cs2)cs1 ZINC000423199487 372025108 /nfs/dbraw/zinc/02/51/08/372025108.db2.gz BQNFEIHOLCHLHS-SKDRFNHKSA-N 2 2 293.461 3.193 20 0 CGADLP CC(C)C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000290627107 372030289 /nfs/dbraw/zinc/03/02/89/372030289.db2.gz XQSKVDGHPVFSIO-IRXDYDNUSA-N 2 2 269.392 3.357 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423222427 372040530 /nfs/dbraw/zinc/04/05/30/372040530.db2.gz AXSAKCMWOXNUAE-CQSZACIVSA-N 2 2 284.403 3.232 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000423246235 372041891 /nfs/dbraw/zinc/04/18/91/372041891.db2.gz NBZQASHODRSTJB-AWEZNQCLSA-N 2 2 252.427 3.179 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423177963 372006076 /nfs/dbraw/zinc/00/60/76/372006076.db2.gz BJQRXAAMWSNWFF-UKRRQHHQSA-N 2 2 270.376 3.349 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000157099382 372007164 /nfs/dbraw/zinc/00/71/64/372007164.db2.gz VJJAFVPYJLOYPU-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000157099382 372007169 /nfs/dbraw/zinc/00/71/69/372007169.db2.gz VJJAFVPYJLOYPU-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423178662 372008759 /nfs/dbraw/zinc/00/87/59/372008759.db2.gz CKRKQKCITSRXKV-WMLDXEAASA-N 2 2 272.392 3.472 20 0 CGADLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2cccc(F)c2[nH+]1 ZINC000290529567 372010878 /nfs/dbraw/zinc/01/08/78/372010878.db2.gz NVZGSZWRQRSGKN-GFCCVEGCSA-N 2 2 284.338 3.379 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccncc1 ZINC000423440714 372063997 /nfs/dbraw/zinc/06/39/97/372063997.db2.gz VVPIFTRSBKXKHI-QZTJIDSGSA-N 2 2 281.403 3.009 20 0 CGADLP Cc1cccc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000158375147 372066435 /nfs/dbraw/zinc/06/64/35/372066435.db2.gz CMWWQJJFRHXWJX-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cccc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000158375147 372066439 /nfs/dbraw/zinc/06/64/39/372066439.db2.gz CMWWQJJFRHXWJX-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158998183 372096539 /nfs/dbraw/zinc/09/65/39/372096539.db2.gz WKGJKNCIAUJKEM-WBVHZDCISA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158998183 372096545 /nfs/dbraw/zinc/09/65/45/372096545.db2.gz WKGJKNCIAUJKEM-WBVHZDCISA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158998183 372096550 /nfs/dbraw/zinc/09/65/50/372096550.db2.gz WKGJKNCIAUJKEM-WBVHZDCISA-N 2 2 288.435 3.001 20 0 CGADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158998183 372096553 /nfs/dbraw/zinc/09/65/53/372096553.db2.gz WKGJKNCIAUJKEM-WBVHZDCISA-N 2 2 288.435 3.001 20 0 CGADLP COCC[C@@H](C)[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291024172 372097540 /nfs/dbraw/zinc/09/75/40/372097540.db2.gz APRIHGTWUAYHQJ-GFCCVEGCSA-N 2 2 273.380 3.326 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000040672072 541868376 /nfs/dbraw/zinc/86/83/76/541868376.db2.gz BTFIOSXCAQHQOJ-NEPJUHHUSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000040672072 541868379 /nfs/dbraw/zinc/86/83/79/541868379.db2.gz BTFIOSXCAQHQOJ-NEPJUHHUSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCc4c3cccc4O)c[nH+]c12 ZINC000344267916 217126899 /nfs/dbraw/zinc/12/68/99/217126899.db2.gz YIQKLORFIRBFJB-INIZCTEOSA-N 2 2 293.370 3.125 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000428848830 372269909 /nfs/dbraw/zinc/26/99/09/372269909.db2.gz KAPHNCAQSBMNIU-ZJUUUORDSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000428848830 372269912 /nfs/dbraw/zinc/26/99/12/372269912.db2.gz KAPHNCAQSBMNIU-ZJUUUORDSA-N 2 2 292.370 3.339 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC000429255341 372330741 /nfs/dbraw/zinc/33/07/41/372330741.db2.gz PFKDOYWREWSLTM-CQSZACIVSA-N 2 2 290.411 3.215 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC000429255341 372330748 /nfs/dbraw/zinc/33/07/48/372330748.db2.gz PFKDOYWREWSLTM-CQSZACIVSA-N 2 2 290.411 3.215 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc2cccnc12 ZINC000344330070 217154067 /nfs/dbraw/zinc/15/40/67/217154067.db2.gz USEHCQKLEQXIMM-YOEHRIQHSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc2cccnc12 ZINC000344330070 217154070 /nfs/dbraw/zinc/15/40/70/217154070.db2.gz USEHCQKLEQXIMM-YOEHRIQHSA-N 2 2 283.419 3.116 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183571 372452317 /nfs/dbraw/zinc/45/23/17/372452317.db2.gz QNGZTGOYENJVRJ-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183571 372452319 /nfs/dbraw/zinc/45/23/19/372452319.db2.gz QNGZTGOYENJVRJ-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163228054 372455872 /nfs/dbraw/zinc/45/58/72/372455872.db2.gz ZAXCOIIRYOESKS-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000163228054 372455878 /nfs/dbraw/zinc/45/58/78/372455878.db2.gz ZAXCOIIRYOESKS-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000163290184 372460256 /nfs/dbraw/zinc/46/02/56/372460256.db2.gz YAJHBHIYFZLXSM-DZGCQCFKSA-N 2 2 296.480 3.126 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000163290184 372460257 /nfs/dbraw/zinc/46/02/57/372460257.db2.gz YAJHBHIYFZLXSM-DZGCQCFKSA-N 2 2 296.480 3.126 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000163312936 372462149 /nfs/dbraw/zinc/46/21/49/372462149.db2.gz WKJDLWHURMOJGA-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000163312936 372462158 /nfs/dbraw/zinc/46/21/58/372462158.db2.gz WKJDLWHURMOJGA-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1ccc2c(c1)[nH+]c(C)cc2OCc1c[nH+]cn1C ZINC000344420005 217187766 /nfs/dbraw/zinc/18/77/66/217187766.db2.gz OPSFDHRVWNMNOG-UHFFFAOYSA-N 2 2 267.332 3.164 20 0 CGADLP CC[NH+]1CCC(CNc2[nH+]ccc3ccccc32)CC1 ZINC000168672725 372615870 /nfs/dbraw/zinc/61/58/70/372615870.db2.gz XEIFUKOJZADIRK-UHFFFAOYSA-N 2 2 269.392 3.379 20 0 CGADLP CCSCC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000169224731 372627897 /nfs/dbraw/zinc/62/78/97/372627897.db2.gz CQZNYMNGRUKGCO-INIZCTEOSA-N 2 2 280.481 3.412 20 0 CGADLP CC[C@@H](COC)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167877159 372604180 /nfs/dbraw/zinc/60/41/80/372604180.db2.gz FVSDFDSULVPOJO-ZBFHGGJFSA-N 2 2 278.440 3.130 20 0 CGADLP C[C@H]([NH2+]CCOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170999470 372698776 /nfs/dbraw/zinc/69/87/76/372698776.db2.gz DIPRFYIBNNQOKQ-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000295092926 372691713 /nfs/dbraw/zinc/69/17/13/372691713.db2.gz UBJFKWZEOXXENZ-UHFFFAOYSA-N 2 2 287.451 3.466 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000344537237 217224452 /nfs/dbraw/zinc/22/44/52/217224452.db2.gz JYGFAPZHLYCWRU-OAHLLOKOSA-N 2 2 299.418 3.176 20 0 CGADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000295304044 372731779 /nfs/dbraw/zinc/73/17/79/372731779.db2.gz XWZVWYAVDNJLBF-UHFFFAOYSA-N 2 2 275.421 3.433 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000434787829 372712335 /nfs/dbraw/zinc/71/23/35/372712335.db2.gz WKZDGQAVFNIWKX-KGLIPLIRSA-N 2 2 261.413 3.298 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccoc1 ZINC000353435031 220079741 /nfs/dbraw/zinc/07/97/41/220079741.db2.gz LLBDJPAOBFUMFI-MRXNPFEDSA-N 2 2 264.413 3.442 20 0 CGADLP CC(C)CCc1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435615337 372785125 /nfs/dbraw/zinc/78/51/25/372785125.db2.gz HJCCWQUUMDIIIG-OAHLLOKOSA-N 2 2 295.496 3.306 20 0 CGADLP CC(C)CCc1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435615337 372785132 /nfs/dbraw/zinc/78/51/32/372785132.db2.gz HJCCWQUUMDIIIG-OAHLLOKOSA-N 2 2 295.496 3.306 20 0 CGADLP Cc1cc(OCC[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000435794644 372811091 /nfs/dbraw/zinc/81/10/91/372811091.db2.gz MNXYHJBVEMGHQU-UHFFFAOYSA-N 2 2 270.376 3.408 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437073270 372845069 /nfs/dbraw/zinc/84/50/69/372845069.db2.gz FYPZERNCNFEFIZ-WXHSDQCUSA-N 2 2 278.362 3.036 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437073270 372845077 /nfs/dbraw/zinc/84/50/77/372845077.db2.gz FYPZERNCNFEFIZ-WXHSDQCUSA-N 2 2 278.362 3.036 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000172845538 373045390 /nfs/dbraw/zinc/04/53/90/373045390.db2.gz YPXYYDMZWFCQMW-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000172845538 373045402 /nfs/dbraw/zinc/04/54/02/373045402.db2.gz YPXYYDMZWFCQMW-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845538 373045410 /nfs/dbraw/zinc/04/54/10/373045410.db2.gz YPXYYDMZWFCQMW-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845538 373045421 /nfs/dbraw/zinc/04/54/21/373045421.db2.gz YPXYYDMZWFCQMW-WDEREUQCSA-N 2 2 272.845 3.316 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000344824811 217322498 /nfs/dbraw/zinc/32/24/98/217322498.db2.gz KHYFPULZVHJBOU-CYBMUJFWSA-N 2 2 284.831 3.391 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000344824811 217322500 /nfs/dbraw/zinc/32/25/00/217322500.db2.gz KHYFPULZVHJBOU-CYBMUJFWSA-N 2 2 284.831 3.391 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442795157 373085941 /nfs/dbraw/zinc/08/59/41/373085941.db2.gz UTWAJJLVIKSYLH-JXQTWKCFSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442795157 373085945 /nfs/dbraw/zinc/08/59/45/373085945.db2.gz UTWAJJLVIKSYLH-JXQTWKCFSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000173527334 373154447 /nfs/dbraw/zinc/15/44/47/373154447.db2.gz YNLNIWRXOOTVKD-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527334 373154454 /nfs/dbraw/zinc/15/44/54/373154454.db2.gz YNLNIWRXOOTVKD-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527334 373154460 /nfs/dbraw/zinc/15/44/60/373154460.db2.gz YNLNIWRXOOTVKD-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527334 373154465 /nfs/dbraw/zinc/15/44/65/373154465.db2.gz YNLNIWRXOOTVKD-WMLDXEAASA-N 2 2 299.418 3.256 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000443860641 373164473 /nfs/dbraw/zinc/16/44/73/373164473.db2.gz IREBCMMWZTWSEK-ZJIFWQFVSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000443860641 373164481 /nfs/dbraw/zinc/16/44/81/373164481.db2.gz IREBCMMWZTWSEK-ZJIFWQFVSA-N 2 2 250.430 3.051 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000443013634 373142104 /nfs/dbraw/zinc/14/21/04/373142104.db2.gz LWWRNRIFUAJEJR-MAUKXSAKSA-N 2 2 285.435 3.115 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ccccc2C1 ZINC000297564041 373275017 /nfs/dbraw/zinc/27/50/17/373275017.db2.gz CLDIUHYQDWFGBU-SFHVURJKSA-N 2 2 297.446 3.232 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCc2ccccc2C1 ZINC000297564041 373275026 /nfs/dbraw/zinc/27/50/26/373275026.db2.gz CLDIUHYQDWFGBU-SFHVURJKSA-N 2 2 297.446 3.232 20 0 CGADLP CC[NH+](CC)CCSCc1cn2cccc(C)c2[nH+]1 ZINC000174024117 373235832 /nfs/dbraw/zinc/23/58/32/373235832.db2.gz XRMIFTFNDGUNMG-UHFFFAOYSA-N 2 2 277.437 3.218 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(F)c1 ZINC000446886383 373375287 /nfs/dbraw/zinc/37/52/87/373375287.db2.gz FYBWGXBNDSXHAA-UHOFOFEASA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(F)c1 ZINC000446886383 373375292 /nfs/dbraw/zinc/37/52/92/373375292.db2.gz FYBWGXBNDSXHAA-UHOFOFEASA-N 2 2 264.388 3.349 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1Cl ZINC000446810169 373364511 /nfs/dbraw/zinc/36/45/11/373364511.db2.gz MYJUINXAHKRWAX-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000446810169 373364518 /nfs/dbraw/zinc/36/45/18/373364518.db2.gz MYJUINXAHKRWAX-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1Cl ZINC000446810169 373364528 /nfs/dbraw/zinc/36/45/28/373364528.db2.gz MYJUINXAHKRWAX-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1Cl ZINC000446810169 373364535 /nfs/dbraw/zinc/36/45/35/373364535.db2.gz MYJUINXAHKRWAX-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(F)c2F)CC1 ZINC000299597166 373578097 /nfs/dbraw/zinc/57/80/97/373578097.db2.gz PVVHIHGWFKVVBE-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC000299597166 373578101 /nfs/dbraw/zinc/57/81/01/373578101.db2.gz PVVHIHGWFKVVBE-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP c1csc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000299742445 373609778 /nfs/dbraw/zinc/60/97/78/373609778.db2.gz JFMXBXRRGAENTD-CYBMUJFWSA-N 2 2 287.432 3.270 20 0 CGADLP c1csc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000299742445 373609783 /nfs/dbraw/zinc/60/97/83/373609783.db2.gz JFMXBXRRGAENTD-CYBMUJFWSA-N 2 2 287.432 3.270 20 0 CGADLP C[C@@H]([N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177219751 373665836 /nfs/dbraw/zinc/66/58/36/373665836.db2.gz KOTUAQMUARVXEA-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]([N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177219751 373665850 /nfs/dbraw/zinc/66/58/50/373665850.db2.gz KOTUAQMUARVXEA-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177293303 373672720 /nfs/dbraw/zinc/67/27/20/373672720.db2.gz ZEOSWHOGSGMOBO-LSDHHAIUSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177293303 373672724 /nfs/dbraw/zinc/67/27/24/373672724.db2.gz ZEOSWHOGSGMOBO-LSDHHAIUSA-N 2 2 284.407 3.278 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1 ZINC000177333008 373677312 /nfs/dbraw/zinc/67/73/12/373677312.db2.gz OKTGMXQCALBIHM-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1 ZINC000177333008 373677322 /nfs/dbraw/zinc/67/73/22/373677322.db2.gz OKTGMXQCALBIHM-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000177333008 373677331 /nfs/dbraw/zinc/67/73/31/373677331.db2.gz OKTGMXQCALBIHM-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000177333008 373677339 /nfs/dbraw/zinc/67/73/39/373677339.db2.gz OKTGMXQCALBIHM-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1Cl ZINC000177326836 373677423 /nfs/dbraw/zinc/67/74/23/373677423.db2.gz BLFUDSKNHAQIAW-CABCVRRESA-N 2 2 278.827 3.399 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1Cl ZINC000177326836 373677431 /nfs/dbraw/zinc/67/74/31/373677431.db2.gz BLFUDSKNHAQIAW-CABCVRRESA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000177326836 373677441 /nfs/dbraw/zinc/67/74/41/373677441.db2.gz BLFUDSKNHAQIAW-CABCVRRESA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000177326836 373677445 /nfs/dbraw/zinc/67/74/45/373677445.db2.gz BLFUDSKNHAQIAW-CABCVRRESA-N 2 2 278.827 3.399 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449481826 373770255 /nfs/dbraw/zinc/77/02/55/373770255.db2.gz VZBNLEOKEOZBFK-INIZCTEOSA-N 2 2 288.435 3.262 20 0 CGADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301443498 373775568 /nfs/dbraw/zinc/77/55/68/373775568.db2.gz PQKPIHFBQBSBNR-INIZCTEOSA-N 2 2 284.407 3.117 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccsc2)cn1 ZINC000178413161 373775846 /nfs/dbraw/zinc/77/58/46/373775846.db2.gz PCQDZQYCYJMREL-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178651185 373801924 /nfs/dbraw/zinc/80/19/24/373801924.db2.gz JPHUTXICMACFSP-CZUORRHYSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178651185 373801926 /nfs/dbraw/zinc/80/19/26/373801926.db2.gz JPHUTXICMACFSP-CZUORRHYSA-N 2 2 258.409 3.093 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)C2 ZINC000179963949 373947524 /nfs/dbraw/zinc/94/75/24/373947524.db2.gz OKBZECMPONGNTO-RHSMWYFYSA-N 2 2 269.392 3.105 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCOC3(C2)CCCCCC3)[nH+]1 ZINC000180547063 374021179 /nfs/dbraw/zinc/02/11/79/374021179.db2.gz IKTULPCYWPEPDO-UHFFFAOYSA-N 2 2 299.418 3.260 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCOC3(C2)CCCCCC3)[nH+]1 ZINC000180547063 374021184 /nfs/dbraw/zinc/02/11/84/374021184.db2.gz IKTULPCYWPEPDO-UHFFFAOYSA-N 2 2 299.418 3.260 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359497 374080278 /nfs/dbraw/zinc/08/02/78/374080278.db2.gz GVJNYZINQAGAAQ-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450359497 374080281 /nfs/dbraw/zinc/08/02/81/374080281.db2.gz GVJNYZINQAGAAQ-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3c(OC)cccc32)C1 ZINC000450276109 374035612 /nfs/dbraw/zinc/03/56/12/374035612.db2.gz OCVCBNOHPZHHNY-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP CCC[N@H+]1CC[C@H](CNc2[nH+]ccc3c(OC)cccc32)C1 ZINC000450276109 374035618 /nfs/dbraw/zinc/03/56/18/374035618.db2.gz OCVCBNOHPZHHNY-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C(C)C)cc1 ZINC000180796683 374046986 /nfs/dbraw/zinc/04/69/86/374046986.db2.gz GQQLLLGEZOCNON-KRWDZBQOSA-N 2 2 276.424 3.078 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)CC1 ZINC000450301643 374048247 /nfs/dbraw/zinc/04/82/47/374048247.db2.gz VGYKBPGKNCHULW-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)CC1 ZINC000450301643 374048254 /nfs/dbraw/zinc/04/82/54/374048254.db2.gz VGYKBPGKNCHULW-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000450301643 374048261 /nfs/dbraw/zinc/04/82/61/374048261.db2.gz VGYKBPGKNCHULW-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C)CC1 ZINC000450301643 374048266 /nfs/dbraw/zinc/04/82/66/374048266.db2.gz VGYKBPGKNCHULW-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CCc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc[nH+]1 ZINC000450309288 374053084 /nfs/dbraw/zinc/05/30/84/374053084.db2.gz RZUXFEJMAPGDTB-UHFFFAOYSA-N 2 2 298.312 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@@H+]1C ZINC000180973629 374064407 /nfs/dbraw/zinc/06/44/07/374064407.db2.gz RANDKUXELJBAEM-GDBMZVCRSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973629 374064411 /nfs/dbraw/zinc/06/44/11/374064411.db2.gz RANDKUXELJBAEM-GDBMZVCRSA-N 2 2 288.435 3.190 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353679926 220250690 /nfs/dbraw/zinc/25/06/90/220250690.db2.gz IDCNVHFATRYIKB-UKRRQHHQSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353679926 220250691 /nfs/dbraw/zinc/25/06/91/220250691.db2.gz IDCNVHFATRYIKB-UKRRQHHQSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000181689126 374156281 /nfs/dbraw/zinc/15/62/81/374156281.db2.gz YMOXVXKXTLGRCG-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000181689126 374156287 /nfs/dbraw/zinc/15/62/87/374156287.db2.gz YMOXVXKXTLGRCG-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069231 374213538 /nfs/dbraw/zinc/21/35/38/374213538.db2.gz MTNSNHPDHMYQLC-YQQAZPJKSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069231 374213543 /nfs/dbraw/zinc/21/35/43/374213543.db2.gz MTNSNHPDHMYQLC-YQQAZPJKSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2ccccc2o1 ZINC000315682049 374330496 /nfs/dbraw/zinc/33/04/96/374330496.db2.gz VTKAAWFFMZHAEQ-LBPRGKRZSA-N 2 2 298.390 3.083 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)[nH]1 ZINC000080958722 541923828 /nfs/dbraw/zinc/92/38/28/541923828.db2.gz XZMCNARBZMCLKA-OAHLLOKOSA-N 2 2 291.439 3.329 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOC3CCCCCC3)C2)[nH]1 ZINC000080958722 541923831 /nfs/dbraw/zinc/92/38/31/541923831.db2.gz XZMCNARBZMCLKA-OAHLLOKOSA-N 2 2 291.439 3.329 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284487 374391042 /nfs/dbraw/zinc/39/10/42/374391042.db2.gz KSFUQKNEKZJMAU-XDQVBPFNSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284487 374391053 /nfs/dbraw/zinc/39/10/53/374391053.db2.gz KSFUQKNEKZJMAU-XDQVBPFNSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000183445669 374413886 /nfs/dbraw/zinc/41/38/86/374413886.db2.gz HXVDSKOSBOISRI-UHFFFAOYSA-N 2 2 257.381 3.489 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000183445669 374413894 /nfs/dbraw/zinc/41/38/94/374413894.db2.gz HXVDSKOSBOISRI-UHFFFAOYSA-N 2 2 257.381 3.489 20 0 CGADLP Oc1cc(F)cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000185565749 374687616 /nfs/dbraw/zinc/68/76/16/374687616.db2.gz ZYWBOKADYPHBMD-UHFFFAOYSA-N 2 2 292.398 3.028 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000185671886 374709384 /nfs/dbraw/zinc/70/93/84/374709384.db2.gz SAVGOYVCQSIWFM-JLJPHGGASA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000185671886 374709387 /nfs/dbraw/zinc/70/93/87/374709387.db2.gz SAVGOYVCQSIWFM-JLJPHGGASA-N 2 2 273.424 3.138 20 0 CGADLP COc1ccccc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185682716 374713230 /nfs/dbraw/zinc/71/32/30/374713230.db2.gz OQHFWPHRIVXLAI-KXBFYZLASA-N 2 2 298.430 3.476 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)oc1C ZINC000185723924 374725180 /nfs/dbraw/zinc/72/51/80/374725180.db2.gz LOKFNCHFEYUDMQ-DZGCQCFKSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)oc1C ZINC000185723924 374725188 /nfs/dbraw/zinc/72/51/88/374725188.db2.gz LOKFNCHFEYUDMQ-DZGCQCFKSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000334559158 374857533 /nfs/dbraw/zinc/85/75/33/374857533.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000334559158 374857539 /nfs/dbraw/zinc/85/75/39/374857539.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000334559158 374857544 /nfs/dbraw/zinc/85/75/44/374857544.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000334559158 374857551 /nfs/dbraw/zinc/85/75/51/374857551.db2.gz ADYWGGMRGPCGQK-CRAIPNDOSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)s1 ZINC000334685312 374975523 /nfs/dbraw/zinc/97/55/23/374975523.db2.gz LRVCOBGJMKJLLP-JQWIXIFHSA-N 2 2 275.421 3.296 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)s1 ZINC000334685312 374975530 /nfs/dbraw/zinc/97/55/30/374975530.db2.gz LRVCOBGJMKJLLP-JQWIXIFHSA-N 2 2 275.421 3.296 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc21 ZINC000335035310 375084669 /nfs/dbraw/zinc/08/46/69/375084669.db2.gz USFHBEPXSLKKDE-JKSUJKDBSA-N 2 2 274.314 3.199 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474369733 375102257 /nfs/dbraw/zinc/10/22/57/375102257.db2.gz JXUJJDDGFALIFB-JSGCOSHPSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474369733 375102260 /nfs/dbraw/zinc/10/22/60/375102260.db2.gz JXUJJDDGFALIFB-JSGCOSHPSA-N 2 2 280.843 3.475 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000335144936 375171959 /nfs/dbraw/zinc/17/19/59/375171959.db2.gz SWBJKPICQKOGLZ-CYBMUJFWSA-N 2 2 275.421 3.088 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000335144936 375171965 /nfs/dbraw/zinc/17/19/65/375171965.db2.gz SWBJKPICQKOGLZ-CYBMUJFWSA-N 2 2 275.421 3.088 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189066331 375318819 /nfs/dbraw/zinc/31/88/19/375318819.db2.gz CSPJQFVUKZGHAQ-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189066331 375318821 /nfs/dbraw/zinc/31/88/21/375318821.db2.gz CSPJQFVUKZGHAQ-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571237 375332660 /nfs/dbraw/zinc/33/26/60/375332660.db2.gz BHSZHTNEYJDTLA-XJKSGUPXSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571237 375332663 /nfs/dbraw/zinc/33/26/63/375332663.db2.gz BHSZHTNEYJDTLA-XJKSGUPXSA-N 2 2 294.389 3.457 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000189783513 375445267 /nfs/dbraw/zinc/44/52/67/375445267.db2.gz RNKVAMKCSXPZML-GOSISDBHSA-N 2 2 297.446 3.437 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000189783513 375445273 /nfs/dbraw/zinc/44/52/73/375445273.db2.gz RNKVAMKCSXPZML-GOSISDBHSA-N 2 2 297.446 3.437 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)Cc1ccccc1 ZINC000502274892 375643686 /nfs/dbraw/zinc/64/36/86/375643686.db2.gz OKEBTWYGVQVRJJ-INDMIFKZSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000502457405 375645538 /nfs/dbraw/zinc/64/55/38/375645538.db2.gz WXJGTEFZWMYFKK-INMHGKMJSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000502457405 375645545 /nfs/dbraw/zinc/64/55/45/375645545.db2.gz WXJGTEFZWMYFKK-INMHGKMJSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000336101209 375686613 /nfs/dbraw/zinc/68/66/13/375686613.db2.gz WOMJVLOEBMOTPQ-RISCZKNCSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]([NH2+]C1CC=CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122079051 542023272 /nfs/dbraw/zinc/02/32/72/542023272.db2.gz LORTVQGSJLKSEN-CYBMUJFWSA-N 2 2 253.349 3.242 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336364285 296233267 /nfs/dbraw/zinc/23/32/67/296233267.db2.gz WTCQUULYEWRDDV-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336364285 296233268 /nfs/dbraw/zinc/23/32/68/296233268.db2.gz WTCQUULYEWRDDV-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccnc1 ZINC000192148018 375702605 /nfs/dbraw/zinc/70/26/05/375702605.db2.gz GRKVYQYBEPMIJJ-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000507466385 375703377 /nfs/dbraw/zinc/70/33/77/375703377.db2.gz CVMFDLJLIVRMBC-ULQDDVLXSA-N 2 2 284.488 3.148 20 0 CGADLP Cc1cccc(NCc2[nH+]ccn2CCc2ccccc2)[nH+]1 ZINC000193468844 375882948 /nfs/dbraw/zinc/88/29/48/375882948.db2.gz MGRJCDLPVPZNRJ-UHFFFAOYSA-N 2 2 292.386 3.441 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193473831 375884123 /nfs/dbraw/zinc/88/41/23/375884123.db2.gz RMKFYGXSIGCYPQ-ZDUSSCGKSA-N 2 2 282.378 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193473831 375884128 /nfs/dbraw/zinc/88/41/28/375884128.db2.gz RMKFYGXSIGCYPQ-ZDUSSCGKSA-N 2 2 282.378 3.444 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000193663338 375904406 /nfs/dbraw/zinc/90/44/06/375904406.db2.gz ONRUTSNNMMYPFT-INIZCTEOSA-N 2 2 298.858 3.349 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cscn1 ZINC000535064148 376020126 /nfs/dbraw/zinc/02/01/26/376020126.db2.gz MFXPPPBDZVXUNO-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313992 376035098 /nfs/dbraw/zinc/03/50/98/376035098.db2.gz OAWCBNKYVZHBMA-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313992 376035102 /nfs/dbraw/zinc/03/51/02/376035102.db2.gz OAWCBNKYVZHBMA-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP COc1cc[nH+]c(N2CC[NH+](CCCC(C)(C)C)CC2)c1 ZINC000337123479 376086003 /nfs/dbraw/zinc/08/60/03/376086003.db2.gz CEOISQQVOXXWIV-UHFFFAOYSA-N 2 2 291.439 3.039 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(O)c1 ZINC000194864037 376052086 /nfs/dbraw/zinc/05/20/86/376052086.db2.gz RFTWEIYPINGLDZ-AWEZNQCLSA-N 2 2 293.370 3.429 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000212728280 376139083 /nfs/dbraw/zinc/13/90/83/376139083.db2.gz LIGXLFYKPJMSTE-SNVBAGLBSA-N 2 2 267.735 3.026 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217671752 376176390 /nfs/dbraw/zinc/17/63/90/376176390.db2.gz BDKBCWFHSKWPRI-GJZGRUSLSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217671752 376176393 /nfs/dbraw/zinc/17/63/93/376176393.db2.gz BDKBCWFHSKWPRI-GJZGRUSLSA-N 2 2 264.800 3.056 20 0 CGADLP CSc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337267951 376178840 /nfs/dbraw/zinc/17/88/40/376178840.db2.gz JQSAVXHYWBZMEB-UHFFFAOYSA-N 2 2 278.465 3.326 20 0 CGADLP CSc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337267951 376178848 /nfs/dbraw/zinc/17/88/48/376178848.db2.gz JQSAVXHYWBZMEB-UHFFFAOYSA-N 2 2 278.465 3.326 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000223030617 376244147 /nfs/dbraw/zinc/24/41/47/376244147.db2.gz HOQXQKRDJKILNK-CHWSQXEVSA-N 2 2 277.799 3.146 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)CCC2 ZINC000337993775 376251921 /nfs/dbraw/zinc/25/19/21/376251921.db2.gz TWKJJWOVGKZDAQ-HRCADAONSA-N 2 2 273.424 3.237 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000539650991 376323489 /nfs/dbraw/zinc/32/34/89/376323489.db2.gz SXNGWDILSIDYNV-XOKHGSTOSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000539650991 376323493 /nfs/dbraw/zinc/32/34/93/376323493.db2.gz SXNGWDILSIDYNV-XOKHGSTOSA-N 2 2 272.436 3.240 20 0 CGADLP CC[NH+](CC)CCC[N@H+](Cc1ccco1)C(C)C ZINC000338229958 376289244 /nfs/dbraw/zinc/28/92/44/376289244.db2.gz FALHNCKLNMXTJZ-UHFFFAOYSA-N 2 2 252.402 3.222 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](Cc1ccco1)C(C)C ZINC000338229958 376289250 /nfs/dbraw/zinc/28/92/50/376289250.db2.gz FALHNCKLNMXTJZ-UHFFFAOYSA-N 2 2 252.402 3.222 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157144 376361318 /nfs/dbraw/zinc/36/13/18/376361318.db2.gz BCICKJNMJCKHSL-ZTRSQXPZSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157144 376361320 /nfs/dbraw/zinc/36/13/20/376361320.db2.gz BCICKJNMJCKHSL-ZTRSQXPZSA-N 2 2 286.463 3.427 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000540317561 376371019 /nfs/dbraw/zinc/37/10/19/376371019.db2.gz WGAWTLUOZAZJCH-RDJZCZTQSA-N 2 2 260.425 3.315 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000540317561 376371025 /nfs/dbraw/zinc/37/10/25/376371025.db2.gz WGAWTLUOZAZJCH-RDJZCZTQSA-N 2 2 260.425 3.315 20 0 CGADLP CC(C)CCC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338431602 376373942 /nfs/dbraw/zinc/37/39/42/376373942.db2.gz RCODHTVSINQULG-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1OC ZINC000540592263 376384226 /nfs/dbraw/zinc/38/42/26/376384226.db2.gz XVIJTDVHVFXDJP-USXIJHARSA-N 2 2 294.483 3.187 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1OC ZINC000540592263 376384233 /nfs/dbraw/zinc/38/42/33/376384233.db2.gz XVIJTDVHVFXDJP-USXIJHARSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000338788760 376535416 /nfs/dbraw/zinc/53/54/16/376535416.db2.gz LWAPFLKBQIEAGU-USJZOSNVSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000338788760 376535424 /nfs/dbraw/zinc/53/54/24/376535424.db2.gz LWAPFLKBQIEAGU-USJZOSNVSA-N 2 2 272.436 3.251 20 0 CGADLP COC1(CC[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCC1 ZINC000339032645 376638531 /nfs/dbraw/zinc/63/85/31/376638531.db2.gz MSCFQUHEXPRORU-ZACQAIPSSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCC1 ZINC000339032645 376638534 /nfs/dbraw/zinc/63/85/34/376638534.db2.gz MSCFQUHEXPRORU-ZACQAIPSSA-N 2 2 294.483 3.283 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000235373671 376639053 /nfs/dbraw/zinc/63/90/53/376639053.db2.gz UBCZTEMPTNBBLV-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000152019405 542105313 /nfs/dbraw/zinc/10/53/13/542105313.db2.gz ANHJXTQYLHDHBG-HLLBOEOZSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000152019405 542105318 /nfs/dbraw/zinc/10/53/18/542105318.db2.gz ANHJXTQYLHDHBG-HLLBOEOZSA-N 2 2 272.436 3.313 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157668460 542137548 /nfs/dbraw/zinc/13/75/48/542137548.db2.gz NXNLAMPRAGCVNL-GOEBONIOSA-N 2 2 250.430 3.195 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157668460 542137552 /nfs/dbraw/zinc/13/75/52/542137552.db2.gz NXNLAMPRAGCVNL-GOEBONIOSA-N 2 2 250.430 3.195 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000157693863 542137853 /nfs/dbraw/zinc/13/78/53/542137853.db2.gz OOTLHYJHEFIXAM-KGLIPLIRSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000157693863 542137856 /nfs/dbraw/zinc/13/78/56/542137856.db2.gz OOTLHYJHEFIXAM-KGLIPLIRSA-N 2 2 264.438 3.273 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157792912 542138915 /nfs/dbraw/zinc/13/89/15/542138915.db2.gz JTGUUFFJMGPQTH-DOTOQJQBSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157792912 542138917 /nfs/dbraw/zinc/13/89/17/542138917.db2.gz JTGUUFFJMGPQTH-DOTOQJQBSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245692514 376881666 /nfs/dbraw/zinc/88/16/66/376881666.db2.gz AVAFGUCUAZSNQK-OAGGEKHMSA-N 2 2 259.397 3.122 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245692514 376881679 /nfs/dbraw/zinc/88/16/79/376881679.db2.gz AVAFGUCUAZSNQK-OAGGEKHMSA-N 2 2 259.397 3.122 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000557273291 376928452 /nfs/dbraw/zinc/92/84/52/376928452.db2.gz JJHYCUQTPJTLAH-OWCLPIDISA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC000557273291 376928458 /nfs/dbraw/zinc/92/84/58/376928458.db2.gz JJHYCUQTPJTLAH-OWCLPIDISA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c[nH+]1 ZINC000245927180 376936688 /nfs/dbraw/zinc/93/66/88/376936688.db2.gz SWYSXWPWUBXHJF-KDOFPFPSSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c[nH+]1 ZINC000245927180 376936696 /nfs/dbraw/zinc/93/66/96/376936696.db2.gz SWYSXWPWUBXHJF-KDOFPFPSSA-N 2 2 296.418 3.108 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C2CC2)c1 ZINC000340200203 376946113 /nfs/dbraw/zinc/94/61/13/376946113.db2.gz HQQASGSCFGDLLY-DYVFJYSZSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000340200203 376946118 /nfs/dbraw/zinc/94/61/18/376946118.db2.gz HQQASGSCFGDLLY-DYVFJYSZSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000246405329 377023620 /nfs/dbraw/zinc/02/36/20/377023620.db2.gz MAAFBFAYFJYZJO-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000246405329 377023628 /nfs/dbraw/zinc/02/36/28/377023628.db2.gz MAAFBFAYFJYZJO-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000340387951 377030679 /nfs/dbraw/zinc/03/06/79/377030679.db2.gz CMOAOEUAQGATLC-SLBVQIDZSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000340387951 377030692 /nfs/dbraw/zinc/03/06/92/377030692.db2.gz CMOAOEUAQGATLC-SLBVQIDZSA-N 2 2 294.389 3.283 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000558416342 377004022 /nfs/dbraw/zinc/00/40/22/377004022.db2.gz UHKQVZGEOYDDLY-UHFFFAOYSA-N 2 2 295.477 3.255 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000558416342 377004028 /nfs/dbraw/zinc/00/40/28/377004028.db2.gz UHKQVZGEOYDDLY-UHFFFAOYSA-N 2 2 295.477 3.255 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000340534250 377129752 /nfs/dbraw/zinc/12/97/52/377129752.db2.gz KAUVUNJVCSZUMK-CABCVRRESA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)no1 ZINC000340534250 377129756 /nfs/dbraw/zinc/12/97/56/377129756.db2.gz KAUVUNJVCSZUMK-CABCVRRESA-N 2 2 279.428 3.002 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247018585 377140036 /nfs/dbraw/zinc/14/00/36/377140036.db2.gz LRHIOMXTSFCBEZ-SMDDNHRTSA-N 2 2 290.382 3.453 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018585 377140046 /nfs/dbraw/zinc/14/00/46/377140046.db2.gz LRHIOMXTSFCBEZ-SMDDNHRTSA-N 2 2 290.382 3.453 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000560518598 377164107 /nfs/dbraw/zinc/16/41/07/377164107.db2.gz GXAOAYDFHSWRDT-PXAZEXFGSA-N 2 2 296.405 3.216 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000562022491 377266954 /nfs/dbraw/zinc/26/69/54/377266954.db2.gz OZIXCAQNBKKCEL-KSZLIROESA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000248064130 377262972 /nfs/dbraw/zinc/26/29/72/377262972.db2.gz ZEAGUJJSDGGRFL-UKRRQHHQSA-N 2 2 293.430 3.027 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000248064130 377262978 /nfs/dbraw/zinc/26/29/78/377262978.db2.gz ZEAGUJJSDGGRFL-UKRRQHHQSA-N 2 2 293.430 3.027 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562058976 377272485 /nfs/dbraw/zinc/27/24/85/377272485.db2.gz YNONARYJHVESAO-OAOYMFHYSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000562058976 377272490 /nfs/dbraw/zinc/27/24/90/377272490.db2.gz YNONARYJHVESAO-OAOYMFHYSA-N 2 2 284.447 3.285 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000562756906 377358061 /nfs/dbraw/zinc/35/80/61/377358061.db2.gz KXVAMGXMBODLML-RRQGHBQHSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000562756906 377358069 /nfs/dbraw/zinc/35/80/69/377358069.db2.gz KXVAMGXMBODLML-RRQGHBQHSA-N 2 2 264.457 3.274 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000563039375 377391182 /nfs/dbraw/zinc/39/11/82/377391182.db2.gz WJSUQYDXTAXYDA-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000563039375 377391189 /nfs/dbraw/zinc/39/11/89/377391189.db2.gz WJSUQYDXTAXYDA-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000248979542 377438618 /nfs/dbraw/zinc/43/86/18/377438618.db2.gz INUXQQHCMUDZJV-DLBZAZTESA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000248979542 377438625 /nfs/dbraw/zinc/43/86/25/377438625.db2.gz INUXQQHCMUDZJV-DLBZAZTESA-N 2 2 292.492 3.238 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CCCCC1 ZINC000163698323 542169475 /nfs/dbraw/zinc/16/94/75/542169475.db2.gz VLFJHFPWJWWKRP-GOSISDBHSA-N 2 2 296.499 3.436 20 0 CGADLP c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000084642661 249010859 /nfs/dbraw/zinc/01/08/59/249010859.db2.gz JIDDNGYUBHZCEN-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CCC3CCCC3)CC2)nc1 ZINC000341353967 377524704 /nfs/dbraw/zinc/52/47/04/377524704.db2.gz LRXRTJFIRWJDBC-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000189149409 249058959 /nfs/dbraw/zinc/05/89/59/249058959.db2.gz NQTHLENDQXBKAY-OKZBNKHCSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189149409 249058961 /nfs/dbraw/zinc/05/89/61/249058961.db2.gz NQTHLENDQXBKAY-OKZBNKHCSA-N 2 2 284.447 3.224 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000271470698 249063085 /nfs/dbraw/zinc/06/30/85/249063085.db2.gz HITYNTAPSZENAH-KDOFPFPSSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1ccncc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000280651453 249069426 /nfs/dbraw/zinc/06/94/26/249069426.db2.gz SBDBQYYFZUZZQJ-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000313261394 249090301 /nfs/dbraw/zinc/09/03/01/249090301.db2.gz AIABXATUKDYYHQ-MSOLQXFVSA-N 2 2 283.419 3.279 20 0 CGADLP CCC[C@@H](CC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341377468 377536140 /nfs/dbraw/zinc/53/61/40/377536140.db2.gz URRIURNOUWJPSK-MRXNPFEDSA-N 2 2 275.440 3.214 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C)c1 ZINC000313258264 249090352 /nfs/dbraw/zinc/09/03/52/249090352.db2.gz WRGVUOADKQKDEX-MRXNPFEDSA-N 2 2 257.381 3.012 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947195 249195880 /nfs/dbraw/zinc/19/58/80/249195880.db2.gz QIMNWQUFKGOXPL-AAEUAGOBSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514947195 249195882 /nfs/dbraw/zinc/19/58/82/249195882.db2.gz QIMNWQUFKGOXPL-AAEUAGOBSA-N 2 2 291.345 3.249 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000516348337 249232064 /nfs/dbraw/zinc/23/20/64/249232064.db2.gz SWMPQGJYGQTXSF-RDJZCZTQSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccno2)CC[N@@H+]1Cc1ccccc1 ZINC000265648160 190196859 /nfs/dbraw/zinc/19/68/59/190196859.db2.gz MQNHKWYSWJJCEV-RDJZCZTQSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccno2)CC[N@H+]1Cc1ccccc1 ZINC000265648160 190196860 /nfs/dbraw/zinc/19/68/60/190196860.db2.gz MQNHKWYSWJJCEV-RDJZCZTQSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648160 190196861 /nfs/dbraw/zinc/19/68/61/190196861.db2.gz MQNHKWYSWJJCEV-RDJZCZTQSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648160 190196862 /nfs/dbraw/zinc/19/68/62/190196862.db2.gz MQNHKWYSWJJCEV-RDJZCZTQSA-N 2 2 299.418 3.160 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000574277575 377642755 /nfs/dbraw/zinc/64/27/55/377642755.db2.gz PJIFRXFFHKHSQN-HNNXBMFYSA-N 2 2 266.404 3.062 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000574277575 377642764 /nfs/dbraw/zinc/64/27/64/377642764.db2.gz PJIFRXFFHKHSQN-HNNXBMFYSA-N 2 2 266.404 3.062 20 0 CGADLP COC1([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)CCCCC1 ZINC000574307986 377646250 /nfs/dbraw/zinc/64/62/50/377646250.db2.gz PGPBKSGSUPWSFO-AWEZNQCLSA-N 2 2 291.439 3.047 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000252711127 377655212 /nfs/dbraw/zinc/65/52/12/377655212.db2.gz IPONRQGHMLYMMQ-IINYFYTJSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000252711127 377655219 /nfs/dbraw/zinc/65/52/19/377655219.db2.gz IPONRQGHMLYMMQ-IINYFYTJSA-N 2 2 287.234 3.423 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000252711197 377655746 /nfs/dbraw/zinc/65/57/46/377655746.db2.gz IUTGSZRQHGIACI-NYTXWWLZSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000252711197 377655754 /nfs/dbraw/zinc/65/57/54/377655754.db2.gz IUTGSZRQHGIACI-NYTXWWLZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252787614 377665697 /nfs/dbraw/zinc/66/56/97/377665697.db2.gz BVCYHQPWKAMELK-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP CN(c1[nH+]ccc2cc(F)ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574568696 377681302 /nfs/dbraw/zinc/68/13/02/377681302.db2.gz WXXYESFOUJUPFH-XYPWUTKMSA-N 2 2 299.393 3.435 20 0 CGADLP CN(c1[nH+]ccc2cc(F)ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574568696 377681305 /nfs/dbraw/zinc/68/13/05/377681305.db2.gz WXXYESFOUJUPFH-XYPWUTKMSA-N 2 2 299.393 3.435 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261559188 377815730 /nfs/dbraw/zinc/81/57/30/377815730.db2.gz DOZZYJMIJVDBNM-GHMZBOCLSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261559188 377815736 /nfs/dbraw/zinc/81/57/36/377815736.db2.gz DOZZYJMIJVDBNM-GHMZBOCLSA-N 2 2 285.218 3.035 20 0 CGADLP c1ccc(COc2ccccc2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000261552532 377816815 /nfs/dbraw/zinc/81/68/15/377816815.db2.gz RPJWWUXGFKKZHC-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261577756 377820810 /nfs/dbraw/zinc/82/08/10/377820810.db2.gz OOSGFDBYVQKUOU-GPCCPHFNSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261577756 377820816 /nfs/dbraw/zinc/82/08/16/377820816.db2.gz OOSGFDBYVQKUOU-GPCCPHFNSA-N 2 2 285.218 3.163 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262098503 377886333 /nfs/dbraw/zinc/88/63/33/377886333.db2.gz VIRFIMPZWQHEGZ-KDOFPFPSSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262098503 377886338 /nfs/dbraw/zinc/88/63/38/377886338.db2.gz VIRFIMPZWQHEGZ-KDOFPFPSSA-N 2 2 296.414 3.141 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000261743540 377847559 /nfs/dbraw/zinc/84/75/59/377847559.db2.gz MEIUITYZLJRUCB-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261783881 377854192 /nfs/dbraw/zinc/85/41/92/377854192.db2.gz FOZXSRRSTYVRMT-MAZHCROVSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000261783881 377854197 /nfs/dbraw/zinc/85/41/97/377854197.db2.gz FOZXSRRSTYVRMT-MAZHCROVSA-N 2 2 278.827 3.270 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC000343247845 377938353 /nfs/dbraw/zinc/93/83/53/377938353.db2.gz BDKVTATVELPDOB-YXJHDRRASA-N 2 2 272.436 3.036 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC000343247845 377938359 /nfs/dbraw/zinc/93/83/59/377938359.db2.gz BDKVTATVELPDOB-YXJHDRRASA-N 2 2 272.436 3.036 20 0 CGADLP c1cc2[nH+]ccc(N3CCN(c4cccc[nH+]4)CC3)c2s1 ZINC000266086400 378015360 /nfs/dbraw/zinc/01/53/60/378015360.db2.gz CIUDBXATIMEGBM-UHFFFAOYSA-N 2 2 296.399 3.018 20 0 CGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000264385348 377981739 /nfs/dbraw/zinc/98/17/39/377981739.db2.gz GGIBXHCCVDBMTJ-UHFFFAOYSA-N 2 2 297.402 3.484 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000343468478 377988511 /nfs/dbraw/zinc/98/85/11/377988511.db2.gz UTWAWZHBXNKNRM-GKSFYBEXSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000343468478 377988514 /nfs/dbraw/zinc/98/85/14/377988514.db2.gz UTWAWZHBXNKNRM-GKSFYBEXSA-N 2 2 284.447 3.313 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000578051024 378033787 /nfs/dbraw/zinc/03/37/87/378033787.db2.gz SFOPNKVUQRSFIL-MRXNPFEDSA-N 2 2 272.436 3.035 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000578051024 378033792 /nfs/dbraw/zinc/03/37/92/378033792.db2.gz SFOPNKVUQRSFIL-MRXNPFEDSA-N 2 2 272.436 3.035 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)CCC[NH+]2CCCC2)s1 ZINC000343609977 378039098 /nfs/dbraw/zinc/03/90/98/378039098.db2.gz XVSCQHAXLXBBHP-UHFFFAOYSA-N 2 2 295.496 3.259 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)CCC[NH+]2CCCC2)s1 ZINC000343609977 378039109 /nfs/dbraw/zinc/03/91/09/378039109.db2.gz XVSCQHAXLXBBHP-UHFFFAOYSA-N 2 2 295.496 3.259 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(OCC(C)C)c2)n1C ZINC000579007193 378121840 /nfs/dbraw/zinc/12/18/40/378121840.db2.gz XLCZIGSDUKSTTA-UHFFFAOYSA-N 2 2 287.407 3.053 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000268718894 378095944 /nfs/dbraw/zinc/09/59/44/378095944.db2.gz HMWGGSIQJIKJBN-WMZOPIPTSA-N 2 2 292.467 3.474 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC000344034823 378155584 /nfs/dbraw/zinc/15/55/84/378155584.db2.gz OWRAAJCXLFOOGD-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000346175192 378490972 /nfs/dbraw/zinc/49/09/72/378490972.db2.gz NIYJZCZSCGUCGW-QLFBSQMISA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000346175192 378490977 /nfs/dbraw/zinc/49/09/77/378490977.db2.gz NIYJZCZSCGUCGW-QLFBSQMISA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000271991606 378539262 /nfs/dbraw/zinc/53/92/62/378539262.db2.gz QCCPTZZLKUQYTC-OAHLLOKOSA-N 2 2 269.392 3.499 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000271991606 378539267 /nfs/dbraw/zinc/53/92/67/378539267.db2.gz QCCPTZZLKUQYTC-OAHLLOKOSA-N 2 2 269.392 3.499 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346576651 378631186 /nfs/dbraw/zinc/63/11/86/378631186.db2.gz SQGGUWHABRUANG-CRAIPNDOSA-N 2 2 299.418 3.482 20 0 CGADLP Cn1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2ccccc21 ZINC000637983839 378657602 /nfs/dbraw/zinc/65/76/02/378657602.db2.gz VJNAVPRDCBDTFT-UHFFFAOYSA-N 2 2 294.402 3.212 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1N(C)C ZINC000346804630 378689292 /nfs/dbraw/zinc/68/92/92/378689292.db2.gz HJNKRVDMVRWPJM-XEZPLFJOSA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1N(C)C ZINC000346804630 378689298 /nfs/dbraw/zinc/68/92/98/378689298.db2.gz HJNKRVDMVRWPJM-XEZPLFJOSA-N 2 2 293.430 3.025 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000348087119 378785283 /nfs/dbraw/zinc/78/52/83/378785283.db2.gz OIWVNYQAKPPBAU-QWHCGFSZSA-N 2 2 257.381 3.274 20 0 CGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)OC ZINC000638421334 378796720 /nfs/dbraw/zinc/79/67/20/378796720.db2.gz RPSRGRAMMZVHHR-PBHICJAKSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)CCC2 ZINC000346798520 218017249 /nfs/dbraw/zinc/01/72/49/218017249.db2.gz UXGILOBOJOTWND-FHLIZLRMSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)CCC2 ZINC000346798520 218017251 /nfs/dbraw/zinc/01/72/51/218017251.db2.gz UXGILOBOJOTWND-FHLIZLRMSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]CCC2CCOCC2)[NH+](C)C)cc1 ZINC000638447190 378806179 /nfs/dbraw/zinc/80/61/79/378806179.db2.gz GMQMPZKPDOPCSR-GOSISDBHSA-N 2 2 290.451 3.004 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348137673 378807773 /nfs/dbraw/zinc/80/77/73/378807773.db2.gz QSAQYOYYLSZERB-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348137673 378807784 /nfs/dbraw/zinc/80/77/84/378807784.db2.gz QSAQYOYYLSZERB-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@@H]21 ZINC000348234961 378852786 /nfs/dbraw/zinc/85/27/86/378852786.db2.gz YOCHXXDBVNZCAR-BPLDGKMQSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@@H]21 ZINC000348234961 378852791 /nfs/dbraw/zinc/85/27/91/378852791.db2.gz YOCHXXDBVNZCAR-BPLDGKMQSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348241030 378858918 /nfs/dbraw/zinc/85/89/18/378858918.db2.gz IZFJZRFXQGWMAQ-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348241030 378858924 /nfs/dbraw/zinc/85/89/24/378858924.db2.gz IZFJZRFXQGWMAQ-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)CCC2 ZINC000348250559 378864763 /nfs/dbraw/zinc/86/47/63/378864763.db2.gz XAVGQYJFVBLTGQ-OKZBNKHCSA-N 2 2 295.430 3.462 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278514696 194022548 /nfs/dbraw/zinc/02/25/48/194022548.db2.gz PGMUSPHXYFLYBI-UHFFFAOYSA-N 2 2 299.399 3.439 20 0 CGADLP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638690320 378874015 /nfs/dbraw/zinc/87/40/15/378874015.db2.gz RKIYPFFGMOHURI-VNHYZAJKSA-N 2 2 287.432 3.417 20 0 CGADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2ccsc21 ZINC000266270465 190244741 /nfs/dbraw/zinc/24/47/41/190244741.db2.gz QWYPXAGSCQZGSR-UHFFFAOYSA-N 2 2 272.377 3.303 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1(c2ccccc2)CCCC1 ZINC000274998230 378924075 /nfs/dbraw/zinc/92/40/75/378924075.db2.gz PCHWKTGPIVAVRZ-INIZCTEOSA-N 2 2 283.419 3.373 20 0 CGADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)C ZINC000346975143 218074863 /nfs/dbraw/zinc/07/48/63/218074863.db2.gz UUKYBMLSDHUHDG-JKSUJKDBSA-N 2 2 290.455 3.068 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638788718 378911914 /nfs/dbraw/zinc/91/19/14/378911914.db2.gz RDLOWTHOHUBNAR-XYVMCAHJSA-N 2 2 299.462 3.243 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000348338233 378917003 /nfs/dbraw/zinc/91/70/03/378917003.db2.gz VCTDCQYFSCXZLQ-AWEZNQCLSA-N 2 2 297.240 3.051 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032856 218097952 /nfs/dbraw/zinc/09/79/52/218097952.db2.gz BJQARBWJXMWKIJ-IUODEOHRSA-N 2 2 298.377 3.032 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032856 218097954 /nfs/dbraw/zinc/09/79/54/218097954.db2.gz BJQARBWJXMWKIJ-IUODEOHRSA-N 2 2 298.377 3.032 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)OC ZINC000639051954 378985344 /nfs/dbraw/zinc/98/53/44/378985344.db2.gz AUQAINRHKTXGMF-BHYGNILZSA-N 2 2 278.440 3.083 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c[nH+]1 ZINC000348553059 378990688 /nfs/dbraw/zinc/99/06/88/378990688.db2.gz WPRCJZGNFOHLAU-SJLPKXTDSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c[nH+]1 ZINC000348553059 378990696 /nfs/dbraw/zinc/99/06/96/378990696.db2.gz WPRCJZGNFOHLAU-SJLPKXTDSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cccc(CCC[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000348667498 379012694 /nfs/dbraw/zinc/01/26/94/379012694.db2.gz CYMSMPILILLYIV-UHFFFAOYSA-N 2 2 283.419 3.248 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000370669136 379048419 /nfs/dbraw/zinc/04/84/19/379048419.db2.gz FYQOSCSNUPHMJR-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CCOC1CC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000347455465 218242272 /nfs/dbraw/zinc/24/22/72/218242272.db2.gz OLBWRGCETPWSRD-UHFFFAOYSA-N 2 2 299.418 3.180 20 0 CGADLP CCOC1CC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000347455465 218242274 /nfs/dbraw/zinc/24/22/74/218242274.db2.gz OLBWRGCETPWSRD-UHFFFAOYSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131656 379163999 /nfs/dbraw/zinc/16/39/99/379163999.db2.gz QSPNXZCMHKBXQK-HIFRSBDPSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131656 379164003 /nfs/dbraw/zinc/16/40/03/379164003.db2.gz QSPNXZCMHKBXQK-HIFRSBDPSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373061388 379218550 /nfs/dbraw/zinc/21/85/50/379218550.db2.gz WRALOMGUDNUFGJ-HIFRSBDPSA-N 2 2 284.407 3.182 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1F ZINC000349387353 379263710 /nfs/dbraw/zinc/26/37/10/379263710.db2.gz UYUHJQNALKXKHB-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Cl)c1F ZINC000349387353 379263714 /nfs/dbraw/zinc/26/37/14/379263714.db2.gz UYUHJQNALKXKHB-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2ccccc2F)CC1 ZINC000639374886 379331319 /nfs/dbraw/zinc/33/13/19/379331319.db2.gz MLOHAMJNPDLITL-UHFFFAOYSA-N 2 2 290.426 3.319 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000278296894 379338980 /nfs/dbraw/zinc/33/89/80/379338980.db2.gz CFPXXMFVELLFGB-DOTOQJQBSA-N 2 2 292.492 3.194 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000373533050 379294753 /nfs/dbraw/zinc/29/47/53/379294753.db2.gz VYMQGQJZAQPRMX-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000373533050 379294762 /nfs/dbraw/zinc/29/47/62/379294762.db2.gz VYMQGQJZAQPRMX-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347589554 218282553 /nfs/dbraw/zinc/28/25/53/218282553.db2.gz XYXDYTSRYGKDQP-HIFRSBDPSA-N 2 2 263.429 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347589554 218282554 /nfs/dbraw/zinc/28/25/54/218282554.db2.gz XYXDYTSRYGKDQP-HIFRSBDPSA-N 2 2 263.429 3.338 20 0 CGADLP CC(C)c1nc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cs1 ZINC000374200431 379392727 /nfs/dbraw/zinc/39/27/27/379392727.db2.gz PNLFVFWMELFHER-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000374273264 379405800 /nfs/dbraw/zinc/40/58/00/379405800.db2.gz SLZLAVAAUHPRDK-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)C[C@H]2CCCCO2)c(C)[nH+]1 ZINC000639459051 379407147 /nfs/dbraw/zinc/40/71/47/379407147.db2.gz DIRIBICUTVAVNV-OAHLLOKOSA-N 2 2 262.397 3.008 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCCCO2)c(C)[nH+]1 ZINC000639459051 379407152 /nfs/dbraw/zinc/40/71/52/379407152.db2.gz DIRIBICUTVAVNV-OAHLLOKOSA-N 2 2 262.397 3.008 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000374346847 379426771 /nfs/dbraw/zinc/42/67/71/379426771.db2.gz AFPIVYWNTXBOEY-LLVKDONJSA-N 2 2 284.388 3.024 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1 ZINC000639532777 379457969 /nfs/dbraw/zinc/45/79/69/379457969.db2.gz JYUYECXDSJMRGW-OAHLLOKOSA-N 2 2 284.407 3.110 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1 ZINC000639532777 379457978 /nfs/dbraw/zinc/45/79/78/379457978.db2.gz JYUYECXDSJMRGW-OAHLLOKOSA-N 2 2 284.407 3.110 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542472 379461903 /nfs/dbraw/zinc/46/19/03/379461903.db2.gz HSECKNWAQWWPHR-SCLBCKFNSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542472 379461909 /nfs/dbraw/zinc/46/19/09/379461909.db2.gz HSECKNWAQWWPHR-SCLBCKFNSA-N 2 2 298.434 3.286 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCOc3ccccc3)CC2)[nH]1 ZINC000266761673 190279436 /nfs/dbraw/zinc/27/94/36/190279436.db2.gz QJWMGGFTBAZBMD-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000350000121 379474107 /nfs/dbraw/zinc/47/41/07/379474107.db2.gz HTPWVACHNNDIIT-CJNGLKHVSA-N 2 2 276.424 3.319 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000350000121 379474114 /nfs/dbraw/zinc/47/41/14/379474114.db2.gz HTPWVACHNNDIIT-CJNGLKHVSA-N 2 2 276.424 3.319 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(F)(F)CC ZINC000639611621 379504482 /nfs/dbraw/zinc/50/44/82/379504482.db2.gz CVDDAWIWMKKHBR-UHFFFAOYSA-N 2 2 273.371 3.203 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(F)(F)CC ZINC000639611621 379504492 /nfs/dbraw/zinc/50/44/92/379504492.db2.gz CVDDAWIWMKKHBR-UHFFFAOYSA-N 2 2 273.371 3.203 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376756638 379601105 /nfs/dbraw/zinc/60/11/05/379601105.db2.gz DMKMZRHACZSBRV-ONEGZZNKSA-N 2 2 285.366 3.162 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC000377395769 379671109 /nfs/dbraw/zinc/67/11/09/379671109.db2.gz AHELSAXHVUVRFO-GFCCVEGCSA-N 2 2 283.400 3.272 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000377395769 379671114 /nfs/dbraw/zinc/67/11/14/379671114.db2.gz AHELSAXHVUVRFO-GFCCVEGCSA-N 2 2 283.400 3.272 20 0 CGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000377400092 379671776 /nfs/dbraw/zinc/67/17/76/379671776.db2.gz PBCBEHLXALGZSN-DIFFPNOSSA-N 2 2 297.333 3.085 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000639986797 379676636 /nfs/dbraw/zinc/67/66/36/379676636.db2.gz SCUXARQWFCARMS-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377759517 379734088 /nfs/dbraw/zinc/73/40/88/379734088.db2.gz ZHGSTLDZTQRIEN-KGLIPLIRSA-N 2 2 299.418 3.243 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377759517 379734102 /nfs/dbraw/zinc/73/41/02/379734102.db2.gz ZHGSTLDZTQRIEN-KGLIPLIRSA-N 2 2 299.418 3.243 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(Cl)c2)s1 ZINC000352247180 379757541 /nfs/dbraw/zinc/75/75/41/379757541.db2.gz WIANCMSMDNEJQU-UHFFFAOYSA-N 2 2 295.839 3.148 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)c[nH+]1 ZINC000282445890 379921381 /nfs/dbraw/zinc/92/13/81/379921381.db2.gz ZORFDFNRYKGPMQ-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352724419 379925102 /nfs/dbraw/zinc/92/51/02/379925102.db2.gz QOAJYTVAKVPOMN-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352724419 379925112 /nfs/dbraw/zinc/92/51/12/379925112.db2.gz QOAJYTVAKVPOMN-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)cc(Cl)n2)CC1 ZINC000282661129 379964254 /nfs/dbraw/zinc/96/42/54/379964254.db2.gz INPHLTJDBLRYGF-UHFFFAOYSA-N 2 2 281.831 3.007 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC[C@@H]2CCOC2)n1-c1ccccc1 ZINC000402391531 379966044 /nfs/dbraw/zinc/96/60/44/379966044.db2.gz USRADRXUAUWDGO-MRXNPFEDSA-N 2 2 299.418 3.087 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2ccccc2o1 ZINC000398984768 379932557 /nfs/dbraw/zinc/93/25/57/379932557.db2.gz HJFDMWTXBDUBME-DYEKYZERSA-N 2 2 258.365 3.224 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)s1 ZINC000399084239 379934664 /nfs/dbraw/zinc/93/46/64/379934664.db2.gz TWMWMMHLYRMACQ-GAFUQQFSSA-N 2 2 252.427 3.156 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399054770 379934829 /nfs/dbraw/zinc/93/48/29/379934829.db2.gz WXKMCKLKTQISLH-JTNHKYCSSA-N 2 2 252.789 3.131 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399145896 379937475 /nfs/dbraw/zinc/93/74/75/379937475.db2.gz WWBVZXQGOIUOPB-IIAWOOMASA-N 2 2 276.424 3.265 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352770898 379950380 /nfs/dbraw/zinc/95/03/80/379950380.db2.gz MIJGNQOUFXPNAQ-UHFFFAOYSA-N 2 2 295.477 3.118 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CCO2 ZINC000352830522 379990325 /nfs/dbraw/zinc/99/03/25/379990325.db2.gz KNJHFDCXDAQRSE-UHFFFAOYSA-N 2 2 288.435 3.065 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CCO2 ZINC000352830522 379990331 /nfs/dbraw/zinc/99/03/31/379990331.db2.gz KNJHFDCXDAQRSE-UHFFFAOYSA-N 2 2 288.435 3.065 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871913 218384589 /nfs/dbraw/zinc/38/45/89/218384589.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871913 218384592 /nfs/dbraw/zinc/38/45/92/218384592.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871913 218384594 /nfs/dbraw/zinc/38/45/94/218384594.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871913 218384597 /nfs/dbraw/zinc/38/45/97/218384597.db2.gz TUOOCDNSJAECJS-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP C(=C\c1ccccc1)\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352854362 380006179 /nfs/dbraw/zinc/00/61/79/380006179.db2.gz SWKMNLFVSDBLST-DAXSKMNVSA-N 2 2 267.376 3.303 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000641707785 380052332 /nfs/dbraw/zinc/05/23/32/380052332.db2.gz QCVQKDOAAHLLLM-LSDHHAIUSA-N 2 2 275.440 3.320 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641720705 380062167 /nfs/dbraw/zinc/06/21/67/380062167.db2.gz OKHMBGAVDWOACZ-JKSUJKDBSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cccnc1C(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000353152720 380142786 /nfs/dbraw/zinc/14/27/86/380142786.db2.gz MNYFPMDVDGKAAM-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP c1cn2c(cccc2C[NH2+]C(C2CCC2)C2CCC2)[nH+]1 ZINC000353080757 380104859 /nfs/dbraw/zinc/10/48/59/380104859.db2.gz CNAPVHAVKRWHCP-UHFFFAOYSA-N 2 2 269.392 3.393 20 0 CGADLP Cc1cc2cc(C[NH2+]Cc3cccc4[nH+]ccn43)ccc2[nH]1 ZINC000353130012 380131544 /nfs/dbraw/zinc/13/15/44/380131544.db2.gz VWPKBCHHZKDHPX-UHFFFAOYSA-N 2 2 290.370 3.414 20 0 CGADLP COc1ccc2[nH+]c(N(C)CC[C@H]([NH3+])C(C)C)ccc2c1 ZINC000643016513 380204688 /nfs/dbraw/zinc/20/46/88/380204688.db2.gz WCEKBOZBVDLXIZ-HNNXBMFYSA-N 2 2 287.407 3.053 20 0 CGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCF ZINC000411555702 380151402 /nfs/dbraw/zinc/15/14/02/380151402.db2.gz WOXBFDQQQMGLIJ-MRXNPFEDSA-N 2 2 278.415 3.019 20 0 CGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000414492949 380268486 /nfs/dbraw/zinc/26/84/86/380268486.db2.gz HDBYVJQPONKWRK-MOPGFXCFSA-N 2 2 296.414 3.225 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643068345 380210201 /nfs/dbraw/zinc/21/02/01/380210201.db2.gz FRLHIRDIFCHIOK-WMZOPIPTSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643068345 380210204 /nfs/dbraw/zinc/21/02/04/380210204.db2.gz FRLHIRDIFCHIOK-WMZOPIPTSA-N 2 2 266.388 3.024 20 0 CGADLP COCc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353924389 380237138 /nfs/dbraw/zinc/23/71/38/380237138.db2.gz BZIUAMGYIARPBQ-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(C)s1 ZINC000643496620 380319436 /nfs/dbraw/zinc/31/94/36/380319436.db2.gz LPNHMFVMAAAMAR-SNVBAGLBSA-N 2 2 267.442 3.072 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643501093 380323405 /nfs/dbraw/zinc/32/34/05/380323405.db2.gz SWDSIEDQAPESLE-XJKSGUPXSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643506563 380327785 /nfs/dbraw/zinc/32/77/85/380327785.db2.gz BKTSQGGAOCDYHR-AWEZNQCLSA-N 2 2 281.403 3.151 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507634 380329734 /nfs/dbraw/zinc/32/97/34/380329734.db2.gz LGKXLUOYVRSKFG-OAHLLOKOSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]CC[NH2+]C3CC3)oc2c1 ZINC000643507806 380330814 /nfs/dbraw/zinc/33/08/14/380330814.db2.gz PTMUEQIPTRJVNG-LBPRGKRZSA-N 2 2 258.365 3.144 20 0 CGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000643513070 380333283 /nfs/dbraw/zinc/33/32/83/380333283.db2.gz QEECIDLDMCJQBZ-KRWDZBQOSA-N 2 2 287.451 3.361 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000354032708 380287814 /nfs/dbraw/zinc/28/78/14/380287814.db2.gz CZHCNBIKTIAXJO-XYPHTWIQSA-N 2 2 298.386 3.451 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000354032708 380287820 /nfs/dbraw/zinc/28/78/20/380287820.db2.gz CZHCNBIKTIAXJO-XYPHTWIQSA-N 2 2 298.386 3.451 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032548 380288345 /nfs/dbraw/zinc/28/83/45/380288345.db2.gz BRCQDDXLPDSFBH-GFCCVEGCSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032548 380288350 /nfs/dbraw/zinc/28/83/50/380288350.db2.gz BRCQDDXLPDSFBH-GFCCVEGCSA-N 2 2 294.807 3.450 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354033046 380290828 /nfs/dbraw/zinc/29/08/28/380290828.db2.gz HLQAQLUACXNANQ-QFRLHKFZSA-N 2 2 298.361 3.387 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354033046 380290832 /nfs/dbraw/zinc/29/08/32/380290832.db2.gz HLQAQLUACXNANQ-QFRLHKFZSA-N 2 2 298.361 3.387 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000328190957 284824833 /nfs/dbraw/zinc/82/48/33/284824833.db2.gz AAOZMQNGPBBRQA-IAGOWNOFSA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000414686913 380372394 /nfs/dbraw/zinc/37/23/94/380372394.db2.gz BUGHMYTXTIXPRC-AWEZNQCLSA-N 2 2 264.388 3.003 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000414686913 380372398 /nfs/dbraw/zinc/37/23/98/380372398.db2.gz BUGHMYTXTIXPRC-AWEZNQCLSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414688749 380374252 /nfs/dbraw/zinc/37/42/52/380374252.db2.gz DTEBCALGNZAXGQ-TZMCWYRMSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414688749 380374254 /nfs/dbraw/zinc/37/42/54/380374254.db2.gz DTEBCALGNZAXGQ-TZMCWYRMSA-N 2 2 281.469 3.134 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000414696675 380379029 /nfs/dbraw/zinc/37/90/29/380379029.db2.gz BGROBNOWLMKHPH-HNNXBMFYSA-N 2 2 292.492 3.489 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000414696675 380379034 /nfs/dbraw/zinc/37/90/34/380379034.db2.gz BGROBNOWLMKHPH-HNNXBMFYSA-N 2 2 292.492 3.489 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc2cccnc12 ZINC000414768268 380396353 /nfs/dbraw/zinc/39/63/53/380396353.db2.gz LOGWVPMHZPIJKM-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc2cccnc12 ZINC000414768268 380396361 /nfs/dbraw/zinc/39/63/61/380396361.db2.gz LOGWVPMHZPIJKM-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(OC)c1 ZINC000414701042 380380379 /nfs/dbraw/zinc/38/03/79/380380379.db2.gz KBPXHYOXCMWAIZ-CQSZACIVSA-N 2 2 278.440 3.466 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)c1cccc(OC)c1 ZINC000414701042 380380381 /nfs/dbraw/zinc/38/03/81/380380381.db2.gz KBPXHYOXCMWAIZ-CQSZACIVSA-N 2 2 278.440 3.466 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000643808359 380382227 /nfs/dbraw/zinc/38/22/27/380382227.db2.gz MSBPXZBXIUHCNN-XMTFNYHQSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000643808359 380382231 /nfs/dbraw/zinc/38/22/31/380382231.db2.gz MSBPXZBXIUHCNN-XMTFNYHQSA-N 2 2 284.447 3.428 20 0 CGADLP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1ccccc1 ZINC000414710069 380383529 /nfs/dbraw/zinc/38/35/29/380383529.db2.gz RVCNJUFAYLIBPA-DOTOQJQBSA-N 2 2 278.440 3.069 20 0 CGADLP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)c1ccccc1 ZINC000414710069 380383531 /nfs/dbraw/zinc/38/35/31/380383531.db2.gz RVCNJUFAYLIBPA-DOTOQJQBSA-N 2 2 278.440 3.069 20 0 CGADLP Fc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000354283542 380385205 /nfs/dbraw/zinc/38/52/05/380385205.db2.gz SSUNYZOOTCKOFZ-UHFFFAOYSA-N 2 2 281.334 3.252 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718239 380387463 /nfs/dbraw/zinc/38/74/63/380387463.db2.gz YZJUGXHLMUMYBS-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718239 380387469 /nfs/dbraw/zinc/38/74/69/380387469.db2.gz YZJUGXHLMUMYBS-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1cccc(O)c1 ZINC000414741070 380391474 /nfs/dbraw/zinc/39/14/74/380391474.db2.gz GZXYOLUWKMRDJK-HIFRSBDPSA-N 2 2 264.413 3.149 20 0 CGADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1cccc(O)c1 ZINC000414741070 380391481 /nfs/dbraw/zinc/39/14/81/380391481.db2.gz GZXYOLUWKMRDJK-HIFRSBDPSA-N 2 2 264.413 3.149 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2([NH+](C)C)CCCCC2)c[nH+]1 ZINC000354162137 380349829 /nfs/dbraw/zinc/34/98/29/380349829.db2.gz JANSJDYFPTTYNP-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000414656814 380354256 /nfs/dbraw/zinc/35/42/56/380354256.db2.gz NMYOJSUYBCYTHQ-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP Cc1ccc(COc2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC000414656814 380354262 /nfs/dbraw/zinc/35/42/62/380354262.db2.gz NMYOJSUYBCYTHQ-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000414654403 380354709 /nfs/dbraw/zinc/35/47/09/380354709.db2.gz JGKUYBPBBPZDGO-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000414654403 380354716 /nfs/dbraw/zinc/35/47/16/380354716.db2.gz JGKUYBPBBPZDGO-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCC2)cc1 ZINC000643538282 380356089 /nfs/dbraw/zinc/35/60/89/380356089.db2.gz DRVRBTAZNFHARA-ULQDDVLXSA-N 2 2 276.399 3.126 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOc2ccccc2C)c[nH+]1 ZINC000354194903 380360767 /nfs/dbraw/zinc/36/07/67/380360767.db2.gz YBYFMEWUDKUNEI-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(F)c1 ZINC000354484793 380456770 /nfs/dbraw/zinc/45/67/70/380456770.db2.gz XGYJUAVSMMJATC-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414816774 380427299 /nfs/dbraw/zinc/42/72/99/380427299.db2.gz QPDOYYFHTMIYFO-NSHDSACASA-N 2 2 292.320 3.452 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414824109 380433883 /nfs/dbraw/zinc/43/38/83/380433883.db2.gz AELBMBYUNPWNDQ-RDTXWAMCSA-N 2 2 286.394 3.436 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1C ZINC000414826453 380436298 /nfs/dbraw/zinc/43/62/98/380436298.db2.gz FNTKGFBTLQTYTI-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826034 380436402 /nfs/dbraw/zinc/43/64/02/380436402.db2.gz DSTVJBFPAADHAY-KRWDZBQOSA-N 2 2 272.367 3.178 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414829511 380437329 /nfs/dbraw/zinc/43/73/29/380437329.db2.gz KQYBSPZBWMXQJK-YOEHRIQHSA-N 2 2 254.377 3.080 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000414827987 380438419 /nfs/dbraw/zinc/43/84/19/380438419.db2.gz ICHAEBAFFMOHCG-MELADBBJSA-N 2 2 286.341 3.397 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414827938 380438454 /nfs/dbraw/zinc/43/84/54/380438454.db2.gz LEBZPUOSCDXGBU-FOSCPWQOSA-N 2 2 290.794 3.459 20 0 CGADLP CC(C)c1ncc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414833336 380442224 /nfs/dbraw/zinc/44/22/24/380442224.db2.gz AHEKUFLOAHPEBP-UHFFFAOYSA-N 2 2 267.442 3.018 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414840443 380448253 /nfs/dbraw/zinc/44/82/53/380448253.db2.gz XCBUEOWDHRFOOS-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1Cl ZINC000414842329 380448648 /nfs/dbraw/zinc/44/86/48/380448648.db2.gz YYYSSLCOZNEERJ-MRXNPFEDSA-N 2 2 274.795 3.438 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414850074 380453661 /nfs/dbraw/zinc/45/36/61/380453661.db2.gz SAWUYCMRGDQGCY-JTQLQIEISA-N 2 2 275.223 3.124 20 0 CGADLP Cc1noc(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414853848 380455381 /nfs/dbraw/zinc/45/53/81/380455381.db2.gz YHEVOFOEVJZDIU-QGZVFWFLSA-N 2 2 287.407 3.204 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414787380 380405014 /nfs/dbraw/zinc/40/50/14/380405014.db2.gz CGOVIZVBGFIRSK-GFCCVEGCSA-N 2 2 261.196 3.066 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000414795276 380409225 /nfs/dbraw/zinc/40/92/25/380409225.db2.gz GLRLBGVVEDSDJA-LBPRGKRZSA-N 2 2 292.732 3.186 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414799400 380412194 /nfs/dbraw/zinc/41/21/94/380412194.db2.gz RGVAICGIXSVYKC-INIZCTEOSA-N 2 2 276.424 3.081 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(Cl)c1F ZINC000414808483 380420220 /nfs/dbraw/zinc/42/02/20/380420220.db2.gz KRSDHPYCIUMANM-UHFFFAOYSA-N 2 2 258.768 3.086 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414809045 380420886 /nfs/dbraw/zinc/42/08/86/380420886.db2.gz FYCNZMOCOWURMB-GFCCVEGCSA-N 2 2 295.477 3.479 20 0 CGADLP CCCCc1oc2ccccc2c1C[NH2+][C@H](C)C[NH3+] ZINC000414921090 380490385 /nfs/dbraw/zinc/49/03/85/380490385.db2.gz AGIDUOLHFJZNRR-GFCCVEGCSA-N 2 2 260.381 3.212 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414956196 380501704 /nfs/dbraw/zinc/50/17/04/380501704.db2.gz UZLNJEJVXRJCBU-VHSXEESVSA-N 2 2 273.207 3.224 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000415139948 380509406 /nfs/dbraw/zinc/50/94/06/380509406.db2.gz YBVKVJPNEOCFQL-UHFFFAOYSA-N 2 2 291.222 3.043 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000415139948 380509412 /nfs/dbraw/zinc/50/94/12/380509412.db2.gz YBVKVJPNEOCFQL-UHFFFAOYSA-N 2 2 291.222 3.043 20 0 CGADLP Cc1ccc2[nH+]ccc(NCCCNc3cccc[nH+]3)c2c1 ZINC000354504724 380461973 /nfs/dbraw/zinc/46/19/73/380461973.db2.gz KHWGIEBDGDAEKE-UHFFFAOYSA-N 2 2 292.386 3.274 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC000644644821 380469417 /nfs/dbraw/zinc/46/94/17/380469417.db2.gz HCNKEGFSLCGAJJ-CVEARBPZSA-N 2 2 298.858 3.083 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC000644644821 380469425 /nfs/dbraw/zinc/46/94/25/380469425.db2.gz HCNKEGFSLCGAJJ-CVEARBPZSA-N 2 2 298.858 3.083 20 0 CGADLP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(Cl)c1Cl ZINC000414906895 380483304 /nfs/dbraw/zinc/48/33/04/380483304.db2.gz PYNXOUJXLRHTMK-SNVBAGLBSA-N 2 2 291.197 3.364 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843187 380529456 /nfs/dbraw/zinc/52/94/56/380529456.db2.gz IZZGPDJVWDHTSP-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843187 380529463 /nfs/dbraw/zinc/52/94/63/380529463.db2.gz IZZGPDJVWDHTSP-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843187 380529469 /nfs/dbraw/zinc/52/94/69/380529469.db2.gz IZZGPDJVWDHTSP-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843187 380529474 /nfs/dbraw/zinc/52/94/74/380529474.db2.gz IZZGPDJVWDHTSP-KYVUIXNKSA-N 2 2 292.373 3.006 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@]2(CO)CC(C)C)c[nH+]1 ZINC000355141709 380597074 /nfs/dbraw/zinc/59/70/74/380597074.db2.gz WSYYZSJMZXPPMS-SFHVURJKSA-N 2 2 290.451 3.196 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@]2(CO)CC(C)C)c[nH+]1 ZINC000355141709 380597078 /nfs/dbraw/zinc/59/70/78/380597078.db2.gz WSYYZSJMZXPPMS-SFHVURJKSA-N 2 2 290.451 3.196 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000417351127 380603721 /nfs/dbraw/zinc/60/37/21/380603721.db2.gz BWLOIUHLBHSONE-DLBZAZTESA-N 2 2 272.436 3.181 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000417360940 380610040 /nfs/dbraw/zinc/61/00/40/380610040.db2.gz XUXZZZXASCYAOG-CVEARBPZSA-N 2 2 276.399 3.146 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC1(C)C ZINC000418112024 380702684 /nfs/dbraw/zinc/70/26/84/380702684.db2.gz YPRGRBJUZSUSJC-KGLIPLIRSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](C)[C@H]1C ZINC000418119993 380703841 /nfs/dbraw/zinc/70/38/41/380703841.db2.gz HHVLRWWOZMSHMS-AGIUHOORSA-N 2 2 275.421 3.410 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H](C)[C@H]1C ZINC000418119993 380703845 /nfs/dbraw/zinc/70/38/45/380703845.db2.gz HHVLRWWOZMSHMS-AGIUHOORSA-N 2 2 275.421 3.410 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@H]1c1ccccc1 ZINC000645898333 380765483 /nfs/dbraw/zinc/76/54/83/380765483.db2.gz KSGAEBOTRAZMJT-DLBZAZTESA-N 2 2 256.393 3.132 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@H]1c1ccccc1 ZINC000645898333 380765488 /nfs/dbraw/zinc/76/54/88/380765488.db2.gz KSGAEBOTRAZMJT-DLBZAZTESA-N 2 2 256.393 3.132 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCC(C)CC1 ZINC000355744156 380766984 /nfs/dbraw/zinc/76/69/84/380766984.db2.gz YAMZETIGIHTKMO-LSDHHAIUSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC[C@H](C)C3)c[nH+]c12 ZINC000355608409 380726948 /nfs/dbraw/zinc/72/69/48/380726948.db2.gz OURZVMJSRGJMTN-GXTWGEPZSA-N 2 2 257.381 3.169 20 0 CGADLP C1=C(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000645842291 380748777 /nfs/dbraw/zinc/74/87/77/380748777.db2.gz ATTDRZAJTMBZDV-UHFFFAOYSA-N 2 2 257.381 3.068 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@@H+]1C1CC1 ZINC000421338225 380879411 /nfs/dbraw/zinc/87/94/11/380879411.db2.gz BWNJNIDWKNZPAR-CXAGYDPISA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@H+]1C1CC1 ZINC000421338225 380879420 /nfs/dbraw/zinc/87/94/20/380879420.db2.gz BWNJNIDWKNZPAR-CXAGYDPISA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000356973597 380964643 /nfs/dbraw/zinc/96/46/43/380964643.db2.gz CQKYREYTFGOJTO-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000356973597 380964648 /nfs/dbraw/zinc/96/46/48/380964648.db2.gz CQKYREYTFGOJTO-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1Cl ZINC000356970706 380965139 /nfs/dbraw/zinc/96/51/39/380965139.db2.gz BZRNHUFDFYZCSV-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1Cl ZINC000356970706 380965143 /nfs/dbraw/zinc/96/51/43/380965143.db2.gz BZRNHUFDFYZCSV-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1Cl ZINC000356970706 380965145 /nfs/dbraw/zinc/96/51/45/380965145.db2.gz BZRNHUFDFYZCSV-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1Cl ZINC000356970706 380965148 /nfs/dbraw/zinc/96/51/48/380965148.db2.gz BZRNHUFDFYZCSV-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000357021979 380991483 /nfs/dbraw/zinc/99/14/83/380991483.db2.gz JBCYCSPWDXOGML-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000357021979 380991490 /nfs/dbraw/zinc/99/14/90/380991490.db2.gz JBCYCSPWDXOGML-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP FC1(F)CC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334792720 207084640 /nfs/dbraw/zinc/08/46/40/207084640.db2.gz KRBXUGLZZHTTTG-NSHDSACASA-N 2 2 269.339 3.025 20 0 CGADLP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000288773630 197162364 /nfs/dbraw/zinc/16/23/64/197162364.db2.gz JVICSTIPCVKUER-HZPDHXFCSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000288773630 197162365 /nfs/dbraw/zinc/16/23/65/197162365.db2.gz JVICSTIPCVKUER-HZPDHXFCSA-N 2 2 296.842 3.101 20 0 CGADLP C[N@H+](CCSc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359900008 381380765 /nfs/dbraw/zinc/38/07/65/381380765.db2.gz NZSQJGXAOZUWMD-AWEZNQCLSA-N 2 2 284.856 3.101 20 0 CGADLP C[N@@H+](CCSc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359900008 381380771 /nfs/dbraw/zinc/38/07/71/381380771.db2.gz NZSQJGXAOZUWMD-AWEZNQCLSA-N 2 2 284.856 3.101 20 0 CGADLP COC1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000359978778 381396962 /nfs/dbraw/zinc/39/69/62/381396962.db2.gz YBAOHXHMEBJXCP-UHFFFAOYSA-N 2 2 299.418 3.311 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccsc1)CCC2 ZINC000360078316 381438270 /nfs/dbraw/zinc/43/82/70/381438270.db2.gz HCEBEYAGQXFTQI-STQMWFEESA-N 2 2 275.421 3.481 20 0 CGADLP c1cc2[nH+]ccc(NCCNc3cccc[nH+]3)c2s1 ZINC000360226995 381488883 /nfs/dbraw/zinc/48/88/83/381488883.db2.gz ZJPFZDKJQIXAMM-UHFFFAOYSA-N 2 2 270.361 3.215 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360627215 381598568 /nfs/dbraw/zinc/59/85/68/381598568.db2.gz KEDDJAQDUASAEI-OAHLLOKOSA-N 2 2 275.440 3.484 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360627215 381598571 /nfs/dbraw/zinc/59/85/71/381598571.db2.gz KEDDJAQDUASAEI-OAHLLOKOSA-N 2 2 275.440 3.484 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000334908514 207275860 /nfs/dbraw/zinc/27/58/60/207275860.db2.gz DAAVOGXADABFRM-BXUZGUMPSA-N 2 2 275.783 3.202 20 0 CGADLP COC1(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557556 381801371 /nfs/dbraw/zinc/80/13/71/381801371.db2.gz RKPUONWGCSHGTG-HZPDHXFCSA-N 2 2 291.439 3.115 20 0 CGADLP COC1(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557556 381801378 /nfs/dbraw/zinc/80/13/78/381801378.db2.gz RKPUONWGCSHGTG-HZPDHXFCSA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[N@@H+]1C ZINC000361762998 381867713 /nfs/dbraw/zinc/86/77/13/381867713.db2.gz GBBSSRQLIXLPAM-IPYPFGDCSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CC[N@H+]1C ZINC000361762998 381867721 /nfs/dbraw/zinc/86/77/21/381867721.db2.gz GBBSSRQLIXLPAM-IPYPFGDCSA-N 2 2 276.424 3.365 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000231819113 542304840 /nfs/dbraw/zinc/30/48/40/542304840.db2.gz PSHNJHVFAUEVLU-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000231819113 542304843 /nfs/dbraw/zinc/30/48/43/542304843.db2.gz PSHNJHVFAUEVLU-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3occc31)CCC2 ZINC000365735616 382292466 /nfs/dbraw/zinc/29/24/66/382292466.db2.gz LQSDDMWNOOVPKN-ZFWWWQNUSA-N 2 2 285.391 3.329 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423452086 532993816 /nfs/dbraw/zinc/99/38/16/532993816.db2.gz VWWJPMCYKBNGSZ-WOPDTQHZSA-N 2 2 275.421 3.196 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423550954 533059217 /nfs/dbraw/zinc/05/92/17/533059217.db2.gz IUYCIMQYMFGZFT-OLZOCXBDSA-N 2 2 264.438 3.201 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749907 220300917 /nfs/dbraw/zinc/30/09/17/220300917.db2.gz NCIIUXQYXXSIMM-HIFRSBDPSA-N 2 2 264.388 3.130 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749907 220300921 /nfs/dbraw/zinc/30/09/21/220300921.db2.gz NCIIUXQYXXSIMM-HIFRSBDPSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749907 220300926 /nfs/dbraw/zinc/30/09/26/220300926.db2.gz NCIIUXQYXXSIMM-HIFRSBDPSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749907 220300929 /nfs/dbraw/zinc/30/09/29/220300929.db2.gz NCIIUXQYXXSIMM-HIFRSBDPSA-N 2 2 264.388 3.130 20 0 CGADLP CCc1noc(CC)c1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289068892 197226384 /nfs/dbraw/zinc/22/63/84/197226384.db2.gz ADNYRAPJYJYNFT-UHFFFAOYSA-N 2 2 287.407 3.225 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1SC ZINC000423355353 533130416 /nfs/dbraw/zinc/13/04/16/533130416.db2.gz FFWKDXLSPAXOSH-MBNYWOFBSA-N 2 2 294.464 3.066 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453116954 285200355 /nfs/dbraw/zinc/20/03/55/285200355.db2.gz UGJPJNCWFMRKMD-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453116954 285200357 /nfs/dbraw/zinc/20/03/57/285200357.db2.gz UGJPJNCWFMRKMD-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000322565942 542440975 /nfs/dbraw/zinc/44/09/75/542440975.db2.gz DTNRWIUHOKDWTJ-QAXSNASLSA-N 2 2 274.408 3.118 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000322565942 542440977 /nfs/dbraw/zinc/44/09/77/542440977.db2.gz DTNRWIUHOKDWTJ-QAXSNASLSA-N 2 2 274.408 3.118 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328255773 542444564 /nfs/dbraw/zinc/44/45/64/542444564.db2.gz LQUGPGHZAHRWOX-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000328255773 542444567 /nfs/dbraw/zinc/44/45/67/542444567.db2.gz LQUGPGHZAHRWOX-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP CCc1cc(N2CCC(c3ccc(C)[nH+]c3)CC2)nc(C)[nH+]1 ZINC000340788051 542492632 /nfs/dbraw/zinc/49/26/32/542492632.db2.gz XQAAPJYATWFQJO-UHFFFAOYSA-N 2 2 296.418 3.435 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccc(F)cc31)CCC2 ZINC000358990322 542578736 /nfs/dbraw/zinc/57/87/36/542578736.db2.gz OQMCWBLQGGEFBA-RHSMWYFYSA-N 2 2 299.393 3.485 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCS2 ZINC000423261787 533291827 /nfs/dbraw/zinc/29/18/27/533291827.db2.gz KWBFGTLPJZLNRE-DOMZBBRYSA-N 2 2 294.464 3.195 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000357802893 533451604 /nfs/dbraw/zinc/45/16/04/533451604.db2.gz ZABBTIZEHGMUAH-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423269220 533411069 /nfs/dbraw/zinc/41/10/69/533411069.db2.gz VQEFXMDMARHHDY-KGLIPLIRSA-N 2 2 264.413 3.028 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423532711 533412268 /nfs/dbraw/zinc/41/22/68/533412268.db2.gz ROTYVIKPMYWWFX-CJNGLKHVSA-N 2 2 276.424 3.172 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423433503 533468587 /nfs/dbraw/zinc/46/85/87/533468587.db2.gz RNLPDFLJVOFFLO-XJKSGUPXSA-N 2 2 260.425 3.288 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH2+]1 ZINC000414945996 533655858 /nfs/dbraw/zinc/65/58/58/533655858.db2.gz JCQDBLRWYCYTOL-OCCSQVGLSA-N 2 2 287.432 3.040 20 0 CGADLP c1cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc2c1[NH2+]CC2 ZINC000423214968 285444270 /nfs/dbraw/zinc/44/42/70/285444270.db2.gz MDAVXEIYENHKDO-BPQIPLTHSA-N 2 2 285.435 3.377 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389413428 542608734 /nfs/dbraw/zinc/60/87/34/542608734.db2.gz SRKGPWWMXYBPHN-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389413428 542608735 /nfs/dbraw/zinc/60/87/35/542608735.db2.gz SRKGPWWMXYBPHN-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655241 542611159 /nfs/dbraw/zinc/61/11/59/542611159.db2.gz OPMJOMVMHDYXDU-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655241 542611163 /nfs/dbraw/zinc/61/11/63/542611163.db2.gz OPMJOMVMHDYXDU-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000049084934 392032562 /nfs/dbraw/zinc/03/25/62/392032562.db2.gz RJBYAZVZKVPBAI-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000049084934 392032569 /nfs/dbraw/zinc/03/25/69/392032569.db2.gz RJBYAZVZKVPBAI-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000049083312 392032858 /nfs/dbraw/zinc/03/28/58/392032858.db2.gz CVUMRBCJPJSCIW-OFLPRAFFSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000049083312 392032864 /nfs/dbraw/zinc/03/28/64/392032864.db2.gz CVUMRBCJPJSCIW-OFLPRAFFSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000093978088 392240610 /nfs/dbraw/zinc/24/06/10/392240610.db2.gz RBMLALXIDFDJKQ-FRRDWIJNSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000093978088 392240612 /nfs/dbraw/zinc/24/06/12/392240612.db2.gz RBMLALXIDFDJKQ-FRRDWIJNSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092799916 392232636 /nfs/dbraw/zinc/23/26/36/392232636.db2.gz SNOIRJUNOMJWHT-LSDHHAIUSA-N 2 2 261.413 3.346 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248064052 131110436 /nfs/dbraw/zinc/11/04/36/131110436.db2.gz ZDOIQNDWDHVFHB-KKUMJFAQSA-N 2 2 296.480 3.206 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1 ZINC000361981309 392380414 /nfs/dbraw/zinc/38/04/14/392380414.db2.gz NZVJSKMESQGBLL-JEBQAFNWSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(OC)c1 ZINC000361981309 392380416 /nfs/dbraw/zinc/38/04/16/392380416.db2.gz NZVJSKMESQGBLL-JEBQAFNWSA-N 2 2 288.435 3.219 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098834 392532638 /nfs/dbraw/zinc/53/26/38/392532638.db2.gz MOPJLQHZIAMCOP-NVXWUHKLSA-N 2 2 298.434 3.001 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098834 392532643 /nfs/dbraw/zinc/53/26/43/392532643.db2.gz MOPJLQHZIAMCOP-NVXWUHKLSA-N 2 2 298.434 3.001 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)c1F ZINC000154651057 392536774 /nfs/dbraw/zinc/53/67/74/392536774.db2.gz GZYYIECRHKFUHO-DZGCQCFKSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)c1F ZINC000154651057 392536780 /nfs/dbraw/zinc/53/67/80/392536780.db2.gz GZYYIECRHKFUHO-DZGCQCFKSA-N 2 2 264.388 3.187 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000368524452 392491543 /nfs/dbraw/zinc/49/15/43/392491543.db2.gz AUPAJDSENNUPSU-IXDOHACOSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000368524452 392491546 /nfs/dbraw/zinc/49/15/46/392491546.db2.gz AUPAJDSENNUPSU-IXDOHACOSA-N 2 2 294.483 3.046 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000163264589 392604952 /nfs/dbraw/zinc/60/49/52/392604952.db2.gz IVNLMHVAVQTKDJ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000163264589 392604958 /nfs/dbraw/zinc/60/49/58/392604958.db2.gz IVNLMHVAVQTKDJ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000327586692 392673205 /nfs/dbraw/zinc/67/32/05/392673205.db2.gz GGIIMMQLCTZHJT-CVEARBPZSA-N 2 2 278.465 3.165 20 0 CGADLP COCC[N@H+](C)CC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000505585050 392676655 /nfs/dbraw/zinc/67/66/55/392676655.db2.gz KJGREHUKADZUIV-KRWDZBQOSA-N 2 2 299.418 3.203 20 0 CGADLP COCC[N@@H+](C)CC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000505585050 392676659 /nfs/dbraw/zinc/67/66/59/392676659.db2.gz KJGREHUKADZUIV-KRWDZBQOSA-N 2 2 299.418 3.203 20 0 CGADLP c1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553568 392767517 /nfs/dbraw/zinc/76/75/17/392767517.db2.gz DAASPVBLMLJPFF-MRXNPFEDSA-N 2 2 270.376 3.197 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000647497261 392740790 /nfs/dbraw/zinc/74/07/90/392740790.db2.gz BCAWWGRSIMBKSF-GXSJLCMTSA-N 2 2 292.370 3.326 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000647497261 392740791 /nfs/dbraw/zinc/74/07/91/392740791.db2.gz BCAWWGRSIMBKSF-GXSJLCMTSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(F)c1F ZINC000375265779 392754504 /nfs/dbraw/zinc/75/45/04/392754504.db2.gz CCIBRNFQIXMQQF-NSHDSACASA-N 2 2 291.345 3.348 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375265799 392756872 /nfs/dbraw/zinc/75/68/72/392756872.db2.gz CMJPEDXTSASODD-DZGCQCFKSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccoc3)cn21 ZINC000647364608 392707953 /nfs/dbraw/zinc/70/79/53/392707953.db2.gz GHVAQRJUMMIVAS-ZDUSSCGKSA-N 2 2 269.348 3.129 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC[C@H]3C)cn21 ZINC000647364972 392708013 /nfs/dbraw/zinc/70/80/13/392708013.db2.gz UNLVWFLAWNUWFO-CJNGLKHVSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000181063977 392718898 /nfs/dbraw/zinc/71/88/98/392718898.db2.gz PTKFDBPIHBMFBT-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000181063977 392718903 /nfs/dbraw/zinc/71/89/03/392718903.db2.gz PTKFDBPIHBMFBT-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccsc1 ZINC000187728833 392792634 /nfs/dbraw/zinc/79/26/34/392792634.db2.gz HUPWWWVHPSZTTJ-HOCLYGCPSA-N 2 2 296.480 3.147 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000510716244 392811518 /nfs/dbraw/zinc/81/15/18/392811518.db2.gz FDFCLAVFTNSQOY-FHWLQOOXSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000194412896 392918923 /nfs/dbraw/zinc/91/89/23/392918923.db2.gz HFCOTVUQNXUSPL-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000194412896 392918928 /nfs/dbraw/zinc/91/89/28/392918928.db2.gz HFCOTVUQNXUSPL-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412896 392918930 /nfs/dbraw/zinc/91/89/30/392918930.db2.gz HFCOTVUQNXUSPL-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000194412896 392918934 /nfs/dbraw/zinc/91/89/34/392918934.db2.gz HFCOTVUQNXUSPL-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC3(C[C@H]2C)CCOCC3)c[nH+]1 ZINC000648070699 392901282 /nfs/dbraw/zinc/90/12/82/392901282.db2.gz GVCGRMFYCXWILP-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC3(C[C@H]2C)CCOCC3)c[nH+]1 ZINC000648070699 392901289 /nfs/dbraw/zinc/90/12/89/392901289.db2.gz GVCGRMFYCXWILP-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC=C(C)CC3)cn21 ZINC000648078862 392908761 /nfs/dbraw/zinc/90/87/61/392908761.db2.gz RPDXSPJVWKOFDN-OAHLLOKOSA-N 2 2 269.392 3.274 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647970800 392853378 /nfs/dbraw/zinc/85/33/78/392853378.db2.gz GZMFQMKTVNRMTC-DAYGRLMNSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccsc2S1 ZINC000336730194 392867502 /nfs/dbraw/zinc/86/75/02/392867502.db2.gz PNDIOSYBRYMGIU-DGCLKSJQSA-N 2 2 282.478 3.359 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151033 392868259 /nfs/dbraw/zinc/86/82/59/392868259.db2.gz PSRLTJMYVLIBOH-PBHICJAKSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151033 392868272 /nfs/dbraw/zinc/86/82/72/392868272.db2.gz PSRLTJMYVLIBOH-PBHICJAKSA-N 2 2 298.434 3.113 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000513673673 542732602 /nfs/dbraw/zinc/73/26/02/542732602.db2.gz VPQHNKSWCYOPRJ-HUUCEWRRSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000525864082 392950097 /nfs/dbraw/zinc/95/00/97/392950097.db2.gz ODKBHGOVROKOQI-KRWDZBQOSA-N 2 2 290.451 3.167 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000525864082 392950099 /nfs/dbraw/zinc/95/00/99/392950099.db2.gz ODKBHGOVROKOQI-KRWDZBQOSA-N 2 2 290.451 3.167 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000515343624 542735233 /nfs/dbraw/zinc/73/52/33/542735233.db2.gz SACMSQISZRJKDS-WCVJEAGWSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000515343624 542735237 /nfs/dbraw/zinc/73/52/37/542735237.db2.gz SACMSQISZRJKDS-WCVJEAGWSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341911464 392994312 /nfs/dbraw/zinc/99/43/12/392994312.db2.gz UUBHLLUMTMFOEM-UGFHNGPFSA-N 2 2 294.826 3.093 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341911464 392994314 /nfs/dbraw/zinc/99/43/14/392994314.db2.gz UUBHLLUMTMFOEM-UGFHNGPFSA-N 2 2 294.826 3.093 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249105612 393100856 /nfs/dbraw/zinc/10/08/56/393100856.db2.gz QHBAQSKIKOMCIO-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249105612 393100864 /nfs/dbraw/zinc/10/08/64/393100864.db2.gz QHBAQSKIKOMCIO-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2ccc(C3CC3)cc2)cc1 ZINC000415037142 393106227 /nfs/dbraw/zinc/10/62/27/393106227.db2.gz GJXLFIWCAJXJCO-VQTJNVASSA-N 2 2 292.426 3.409 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414958684 393064682 /nfs/dbraw/zinc/06/46/82/393064682.db2.gz RPDIQTVIFOJICR-IHPCNDPISA-N 2 2 292.426 3.267 20 0 CGADLP Clc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265468106 393167311 /nfs/dbraw/zinc/16/73/11/393167311.db2.gz HPJWYQXJEGCVPR-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060828 393122134 /nfs/dbraw/zinc/12/21/34/393122134.db2.gz YYEJFJMCJVHKBH-DOMZBBRYSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060828 393122137 /nfs/dbraw/zinc/12/21/37/393122137.db2.gz YYEJFJMCJVHKBH-DOMZBBRYSA-N 2 2 298.352 3.068 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000415067435 393126172 /nfs/dbraw/zinc/12/61/72/393126172.db2.gz PEMHTTSKMAWVHA-QGZVFWFLSA-N 2 2 254.377 3.039 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)sc1C ZINC000415082839 393136227 /nfs/dbraw/zinc/13/62/27/393136227.db2.gz OYQQISYAMFISOC-RISCZKNCSA-N 2 2 281.469 3.160 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000415084866 393138730 /nfs/dbraw/zinc/13/87/30/393138730.db2.gz RSKPUOCXKQRWPP-JSGCOSHPSA-N 2 2 293.480 3.421 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415090590 393140877 /nfs/dbraw/zinc/14/08/77/393140877.db2.gz YCQZGKXPECACTJ-IUIKQTSFSA-N 2 2 296.817 3.489 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+](C)CC[NH3+])c2)cc1 ZINC000415105955 393147206 /nfs/dbraw/zinc/14/72/06/393147206.db2.gz IVAGJRNPPGUJGK-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+](C)CC[NH3+])c2)cc1 ZINC000415105955 393147212 /nfs/dbraw/zinc/14/72/12/393147212.db2.gz IVAGJRNPPGUJGK-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000415119655 393151336 /nfs/dbraw/zinc/15/13/36/393151336.db2.gz ZIBGUSPOOBKLQT-CYBMUJFWSA-N 2 2 266.404 3.077 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000415119655 393151343 /nfs/dbraw/zinc/15/13/43/393151343.db2.gz ZIBGUSPOOBKLQT-CYBMUJFWSA-N 2 2 266.404 3.077 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469838780 393219628 /nfs/dbraw/zinc/21/96/28/393219628.db2.gz PRPRMVGCALWLOB-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000469838780 393219633 /nfs/dbraw/zinc/21/96/33/393219633.db2.gz PRPRMVGCALWLOB-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000269063216 393222941 /nfs/dbraw/zinc/22/29/41/393222941.db2.gz YFPVZPWSSFZIKI-IAQYHMDHSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000269063216 393222945 /nfs/dbraw/zinc/22/29/45/393222945.db2.gz YFPVZPWSSFZIKI-IAQYHMDHSA-N 2 2 284.806 3.299 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640045 393227228 /nfs/dbraw/zinc/22/72/28/393227228.db2.gz FZIFFNBUARXJMH-MQYQWHSLSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640045 393227232 /nfs/dbraw/zinc/22/72/32/393227232.db2.gz FZIFFNBUARXJMH-MQYQWHSLSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353624402 393227795 /nfs/dbraw/zinc/22/77/95/393227795.db2.gz QGENHTCUHIHTRC-BFQNTYOBSA-N 2 2 267.376 3.105 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353624402 393227804 /nfs/dbraw/zinc/22/78/04/393227804.db2.gz QGENHTCUHIHTRC-BFQNTYOBSA-N 2 2 267.376 3.105 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000268925044 393208083 /nfs/dbraw/zinc/20/80/83/393208083.db2.gz KXCCYZBQZQAWLI-RHSMWYFYSA-N 2 2 287.407 3.194 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000268925048 393208194 /nfs/dbraw/zinc/20/81/94/393208194.db2.gz KXCCYZBQZQAWLI-YOEHRIQHSA-N 2 2 287.407 3.194 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471600715 393287375 /nfs/dbraw/zinc/28/73/75/393287375.db2.gz DLHQCXDGCYSBJN-JQHSSLGASA-N 2 2 292.467 3.473 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000474922788 393356966 /nfs/dbraw/zinc/35/69/66/393356966.db2.gz DKRFCAAFRBBXAI-QLFBSQMISA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417949343 393357454 /nfs/dbraw/zinc/35/74/54/393357454.db2.gz WIMDCGCUBSCLJV-UKRRQHHQSA-N 2 2 285.391 3.090 20 0 CGADLP CSC1(C[NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000356156983 393362832 /nfs/dbraw/zinc/36/28/32/393362832.db2.gz BODZCZSMZBQTOH-CQSZACIVSA-N 2 2 284.513 3.372 20 0 CGADLP CSC1(C[NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000356156983 393362841 /nfs/dbraw/zinc/36/28/41/393362841.db2.gz BODZCZSMZBQTOH-CQSZACIVSA-N 2 2 284.513 3.372 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420384218 393479755 /nfs/dbraw/zinc/47/97/55/393479755.db2.gz GEGSHKILYUUDOI-RBUKOAKNSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420384218 393479759 /nfs/dbraw/zinc/47/97/59/393479759.db2.gz GEGSHKILYUUDOI-RBUKOAKNSA-N 2 2 298.405 3.185 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@@H]1[NH3+] ZINC000649416716 393417196 /nfs/dbraw/zinc/41/71/96/393417196.db2.gz JKWGMJLDTJEFOA-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@@H]1[NH3+] ZINC000649416716 393417201 /nfs/dbraw/zinc/41/72/01/393417201.db2.gz JKWGMJLDTJEFOA-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3C[C@@H]3C)c(C)c2)CC1 ZINC000488292446 393480029 /nfs/dbraw/zinc/48/00/29/393480029.db2.gz IUQYKMAXHRBSNP-HOCLYGCPSA-N 2 2 287.451 3.205 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000356331273 393421308 /nfs/dbraw/zinc/42/13/08/393421308.db2.gz HLGOGVNLBCTASK-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000356331273 393421311 /nfs/dbraw/zinc/42/13/11/393421311.db2.gz HLGOGVNLBCTASK-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427854576 393457126 /nfs/dbraw/zinc/45/71/26/393457126.db2.gz QRKLESKQYMIFEE-BBRMVZONSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)ccc1F ZINC000427860531 393457435 /nfs/dbraw/zinc/45/74/35/393457435.db2.gz AQZCJFGXUKVIOO-QAPCUYQASA-N 2 2 299.393 3.386 20 0 CGADLP C[NH2+]CCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000420374491 393478043 /nfs/dbraw/zinc/47/80/43/393478043.db2.gz NSMQJKAWWQZRER-UHFFFAOYSA-N 2 2 274.330 3.051 20 0 CGADLP C[NH2+]CCC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000420374491 393478048 /nfs/dbraw/zinc/47/80/48/393478048.db2.gz NSMQJKAWWQZRER-UHFFFAOYSA-N 2 2 274.330 3.051 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000649576116 393496844 /nfs/dbraw/zinc/49/68/44/393496844.db2.gz MWAHEJQIGPHYML-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000649576116 393496848 /nfs/dbraw/zinc/49/68/48/393496848.db2.gz MWAHEJQIGPHYML-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433301 393510852 /nfs/dbraw/zinc/51/08/52/393510852.db2.gz HWLDNKDPBLHKQP-QKPAOTATSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433301 393510854 /nfs/dbraw/zinc/51/08/54/393510854.db2.gz HWLDNKDPBLHKQP-QKPAOTATSA-N 2 2 284.513 3.227 20 0 CGADLP Cc1cccc(C2([NH2+]C[C@H]3CCC[N@H+]3C)CCC2)c1 ZINC000649635545 393520297 /nfs/dbraw/zinc/52/02/97/393520297.db2.gz WYEIZXILSMBQKI-MRXNPFEDSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1cccc(C2([NH2+]C[C@H]3CCC[N@@H+]3C)CCC2)c1 ZINC000649635545 393520300 /nfs/dbraw/zinc/52/03/00/393520300.db2.gz WYEIZXILSMBQKI-MRXNPFEDSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)s1 ZINC000358297277 393522970 /nfs/dbraw/zinc/52/29/70/393522970.db2.gz GZLZIFCUNIRJRE-PKWAYOAASA-N 2 2 278.465 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)s1 ZINC000358297277 393522972 /nfs/dbraw/zinc/52/29/72/393522972.db2.gz GZLZIFCUNIRJRE-PKWAYOAASA-N 2 2 278.465 3.498 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000430148976 393530706 /nfs/dbraw/zinc/53/07/06/393530706.db2.gz UVENGNOLCUWKQW-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000430148976 393530711 /nfs/dbraw/zinc/53/07/11/393530711.db2.gz UVENGNOLCUWKQW-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(OC(F)F)cc1C ZINC000666769190 542814171 /nfs/dbraw/zinc/81/41/71/542814171.db2.gz VKGVZKGWMKSLPT-CQSZACIVSA-N 2 2 298.377 3.137 20 0 CGADLP c1csc(-c2ncc(C[NH2+]C[C@H]3CCCC[NH2+]3)s2)c1 ZINC000666769015 542814394 /nfs/dbraw/zinc/81/43/94/542814394.db2.gz QHDKKODFCQSQDQ-LLVKDONJSA-N 2 2 293.461 3.103 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000489507242 393601979 /nfs/dbraw/zinc/60/19/79/393601979.db2.gz CMOAXYHZGQCRMF-HNNXBMFYSA-N 2 2 255.365 3.103 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000489507242 393601981 /nfs/dbraw/zinc/60/19/81/393601981.db2.gz CMOAXYHZGQCRMF-HNNXBMFYSA-N 2 2 255.365 3.103 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430624774 393582965 /nfs/dbraw/zinc/58/29/65/393582965.db2.gz PPNQBOWYQPUIQN-ZDUSSCGKSA-N 2 2 293.480 3.362 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430624774 393582967 /nfs/dbraw/zinc/58/29/67/393582967.db2.gz PPNQBOWYQPUIQN-ZDUSSCGKSA-N 2 2 293.480 3.362 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196454 393653401 /nfs/dbraw/zinc/65/34/01/393653401.db2.gz VJMDWCRJPWIOLD-QWHCGFSZSA-N 2 2 264.438 3.201 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000423355207 393663802 /nfs/dbraw/zinc/66/38/02/393663802.db2.gz FAHALWKIOCQJTN-CQDKDKBSSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1F ZINC000361068471 393664803 /nfs/dbraw/zinc/66/48/03/393664803.db2.gz LNNIMLSDTBHLDI-DZGCQCFKSA-N 2 2 276.399 3.330 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc(C)c1F ZINC000361068471 393664806 /nfs/dbraw/zinc/66/48/06/393664806.db2.gz LNNIMLSDTBHLDI-DZGCQCFKSA-N 2 2 276.399 3.330 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423475781 393670103 /nfs/dbraw/zinc/67/01/03/393670103.db2.gz SCCNSMQXAHUWSW-JQWIXIFHSA-N 2 2 270.829 3.204 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000491424688 393688119 /nfs/dbraw/zinc/68/81/19/393688119.db2.gz WLSNOYVKKSRCQK-YXJHDRRASA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000491424688 393688124 /nfs/dbraw/zinc/68/81/24/393688124.db2.gz WLSNOYVKKSRCQK-YXJHDRRASA-N 2 2 272.436 3.302 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000443848987 393774770 /nfs/dbraw/zinc/77/47/70/393774770.db2.gz CECVASMJBFADDC-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450503439 394007736 /nfs/dbraw/zinc/00/77/36/394007736.db2.gz XNVRQXDKDQOIDV-UKRRQHHQSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450503439 394007742 /nfs/dbraw/zinc/00/77/42/394007742.db2.gz XNVRQXDKDQOIDV-UKRRQHHQSA-N 2 2 296.361 3.360 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000453093273 394168686 /nfs/dbraw/zinc/16/86/86/394168686.db2.gz TYMFDRCVWCENAU-INIZCTEOSA-N 2 2 271.408 3.435 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000453210196 394205890 /nfs/dbraw/zinc/20/58/90/394205890.db2.gz MELAEGOIRAMLSU-IRXDYDNUSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000453210196 394205893 /nfs/dbraw/zinc/20/58/93/394205893.db2.gz MELAEGOIRAMLSU-IRXDYDNUSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453451691 394246782 /nfs/dbraw/zinc/24/67/82/394246782.db2.gz RQBGWYXDVWNJSX-SJLPKXTDSA-N 2 2 287.451 3.465 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000453145086 394187352 /nfs/dbraw/zinc/18/73/52/394187352.db2.gz REYMJLBWNLXLSP-VBNZEHGJSA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000453145086 394187354 /nfs/dbraw/zinc/18/73/54/394187354.db2.gz REYMJLBWNLXLSP-VBNZEHGJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](c1cccs1)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667510734 542881576 /nfs/dbraw/zinc/88/15/76/542881576.db2.gz RQHPRKYHIJMNKI-NSHDSACASA-N 2 2 261.394 3.084 20 0 CGADLP C[C@@H](c1cccs1)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667510734 542881578 /nfs/dbraw/zinc/88/15/78/542881578.db2.gz RQHPRKYHIJMNKI-NSHDSACASA-N 2 2 261.394 3.084 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)n1C ZINC000667590224 542895148 /nfs/dbraw/zinc/89/51/48/542895148.db2.gz PAGYIEQAWFNIIF-QGZVFWFLSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2C)n1C ZINC000667590224 542895149 /nfs/dbraw/zinc/89/51/49/542895149.db2.gz PAGYIEQAWFNIIF-QGZVFWFLSA-N 2 2 283.419 3.244 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1ccc(F)cc1 ZINC000667534025 542885771 /nfs/dbraw/zinc/88/57/71/542885771.db2.gz JWDQQHKSDQVCBR-GFCCVEGCSA-N 2 2 275.371 3.451 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1ccc(F)cc1 ZINC000667534025 542885775 /nfs/dbraw/zinc/88/57/75/542885775.db2.gz JWDQQHKSDQVCBR-GFCCVEGCSA-N 2 2 275.371 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)n1C ZINC000667672087 542913287 /nfs/dbraw/zinc/91/32/87/542913287.db2.gz JXFYTLXYJMXGLI-CXAGYDPISA-N 2 2 269.392 3.107 20 0 CGADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676435 542913413 /nfs/dbraw/zinc/91/34/13/542913413.db2.gz PEGXDSWYAXETPZ-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676435 542913415 /nfs/dbraw/zinc/91/34/15/542913415.db2.gz PEGXDSWYAXETPZ-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1C ZINC000668143133 542975728 /nfs/dbraw/zinc/97/57/28/542975728.db2.gz NDEPTWBIRDHOHJ-QRVBRYPASA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1C ZINC000668143133 542975731 /nfs/dbraw/zinc/97/57/31/542975731.db2.gz NDEPTWBIRDHOHJ-QRVBRYPASA-N 2 2 295.430 3.497 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](Cc1c[nH+]c3n1CCC3)C(C)(C)C2 ZINC000668195437 542986190 /nfs/dbraw/zinc/98/61/90/542986190.db2.gz IXUVCBZUAHRPSQ-UHFFFAOYSA-N 2 2 295.430 3.475 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](Cc1c[nH+]c3n1CCC3)C(C)(C)C2 ZINC000668195437 542986192 /nfs/dbraw/zinc/98/61/92/542986192.db2.gz IXUVCBZUAHRPSQ-UHFFFAOYSA-N 2 2 295.430 3.475 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)n1C ZINC000668174299 542982289 /nfs/dbraw/zinc/98/22/89/542982289.db2.gz JNZLYPGIASGSAY-TZMCWYRMSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)n1C ZINC000668174299 542982292 /nfs/dbraw/zinc/98/22/92/542982292.db2.gz JNZLYPGIASGSAY-TZMCWYRMSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)n1C ZINC000668275045 543000060 /nfs/dbraw/zinc/00/00/60/543000060.db2.gz QSQVITQEVJZYJS-HOCLYGCPSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)n1C ZINC000668275045 543000062 /nfs/dbraw/zinc/00/00/62/543000062.db2.gz QSQVITQEVJZYJS-HOCLYGCPSA-N 2 2 275.440 3.377 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000668616053 543036108 /nfs/dbraw/zinc/03/61/08/543036108.db2.gz DZZBBPPOMSZYGD-HZPDHXFCSA-N 2 2 290.451 3.033 20 0 CGADLP COC(C)(C)CC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000469796697 292053763 /nfs/dbraw/zinc/05/37/63/292053763.db2.gz MTRSQSPGQPCSIG-UHFFFAOYSA-N 2 2 284.488 3.388 20 0 CGADLP COC(C)(C)CC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000469796697 292053766 /nfs/dbraw/zinc/05/37/66/292053766.db2.gz MTRSQSPGQPCSIG-UHFFFAOYSA-N 2 2 284.488 3.388 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000671098997 543159629 /nfs/dbraw/zinc/15/96/29/543159629.db2.gz GIXAMOLYUKTMRD-JKSUJKDBSA-N 2 2 284.488 3.290 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1C1CC1)CCCC2 ZINC000671194981 543162267 /nfs/dbraw/zinc/16/22/67/543162267.db2.gz GLSIYYZNCAVRSB-UHFFFAOYSA-N 2 2 281.403 3.387 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000534529641 288419758 /nfs/dbraw/zinc/41/97/58/288419758.db2.gz PGEQJUCWFBSUHE-FGTMMUONSA-N 2 2 274.452 3.328 20 0 CGADLP CCc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000672343515 543210360 /nfs/dbraw/zinc/21/03/60/543210360.db2.gz QBVFQAFQQRDKEH-KBXCAEBGSA-N 2 2 298.434 3.451 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672604110 543219003 /nfs/dbraw/zinc/21/90/03/543219003.db2.gz QUCJOFZTFVWODU-PVAVHDDUSA-N 2 2 283.419 3.482 20 0 CGADLP Cc1ccccc1C1([NH2+]CC[NH2+]C(C)(C)C)CCC1 ZINC000650704250 397897490 /nfs/dbraw/zinc/89/74/90/397897490.db2.gz PAESYENVNVCFPA-UHFFFAOYSA-N 2 2 260.425 3.352 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650712026 397898946 /nfs/dbraw/zinc/89/89/46/397898946.db2.gz NFQSZPCXFOBIGW-STQMWFEESA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650712026 397898950 /nfs/dbraw/zinc/89/89/50/397898950.db2.gz NFQSZPCXFOBIGW-STQMWFEESA-N 2 2 281.469 3.216 20 0 CGADLP CC1(C)CC([NH2+]Cc2nc3ccccc3o2)CC(C)(C)[NH2+]1 ZINC000674714608 543294569 /nfs/dbraw/zinc/29/45/69/543294569.db2.gz XYNVNDAOSNYPLU-UHFFFAOYSA-N 2 2 287.407 3.227 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763636 543361686 /nfs/dbraw/zinc/36/16/86/543361686.db2.gz SVMSVUXDQWZMIV-UZLBHIALSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763636 543361690 /nfs/dbraw/zinc/36/16/90/543361690.db2.gz SVMSVUXDQWZMIV-UZLBHIALSA-N 2 2 294.442 3.436 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675765683 543361741 /nfs/dbraw/zinc/36/17/41/543361741.db2.gz FHSZGGCRMXGNMP-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675765683 543361745 /nfs/dbraw/zinc/36/17/45/543361745.db2.gz FHSZGGCRMXGNMP-JKSUJKDBSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000675768483 543362949 /nfs/dbraw/zinc/36/29/49/543362949.db2.gz YPDSUHZSKVNSQO-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000675768483 543362951 /nfs/dbraw/zinc/36/29/51/543362951.db2.gz YPDSUHZSKVNSQO-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000675753885 543360960 /nfs/dbraw/zinc/36/09/60/543360960.db2.gz GVTRXVWXTGDPNP-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477362 543398671 /nfs/dbraw/zinc/39/86/71/543398671.db2.gz IWLOMTQDIHIHIV-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477362 543398673 /nfs/dbraw/zinc/39/86/73/543398673.db2.gz IWLOMTQDIHIHIV-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC000676490857 543399475 /nfs/dbraw/zinc/39/94/75/543399475.db2.gz SUSZHYNUFSGLLT-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC000676490857 543399478 /nfs/dbraw/zinc/39/94/78/543399478.db2.gz SUSZHYNUFSGLLT-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805834 543466742 /nfs/dbraw/zinc/46/67/42/543466742.db2.gz QNUYLEDGLBIYQR-HOCLYGCPSA-N 2 2 260.425 3.428 20 0 CGADLP CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805834 543466744 /nfs/dbraw/zinc/46/67/44/543466744.db2.gz QNUYLEDGLBIYQR-HOCLYGCPSA-N 2 2 260.425 3.428 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235027 543498860 /nfs/dbraw/zinc/49/88/60/543498860.db2.gz NFKBFTGKUQLFOI-YKUAXSNGSA-N 2 2 285.366 3.373 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235027 543498861 /nfs/dbraw/zinc/49/88/61/543498861.db2.gz NFKBFTGKUQLFOI-YKUAXSNGSA-N 2 2 285.366 3.373 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cscc2Cl)CC[N@@H+]1C ZINC000678277716 543509619 /nfs/dbraw/zinc/50/96/19/543509619.db2.gz CSOCUMNGEBRMRX-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cscc2Cl)CC[N@H+]1C ZINC000678277716 543509622 /nfs/dbraw/zinc/50/96/22/543509622.db2.gz CSOCUMNGEBRMRX-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277716 543509624 /nfs/dbraw/zinc/50/96/24/543509624.db2.gz CSOCUMNGEBRMRX-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277716 543509627 /nfs/dbraw/zinc/50/96/27/543509627.db2.gz CSOCUMNGEBRMRX-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000678602256 543542015 /nfs/dbraw/zinc/54/20/15/543542015.db2.gz BQIRVMNFUXGRHS-GDBMZVCRSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000678602256 543542017 /nfs/dbraw/zinc/54/20/17/543542017.db2.gz BQIRVMNFUXGRHS-GDBMZVCRSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[C@@H](CC)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000678927435 543572571 /nfs/dbraw/zinc/57/25/71/543572571.db2.gz SXAZUJYIHNTSLT-CQSZACIVSA-N 2 2 259.397 3.354 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)[C@@H](C)C2 ZINC000493205907 292369214 /nfs/dbraw/zinc/36/92/14/292369214.db2.gz OVHLHHAEHYLDLY-YXUGBTPSSA-N 2 2 284.447 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)[C@@H](C)C2 ZINC000493205907 292369215 /nfs/dbraw/zinc/36/92/15/292369215.db2.gz OVHLHHAEHYLDLY-YXUGBTPSSA-N 2 2 284.447 3.301 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000425335097 286698021 /nfs/dbraw/zinc/69/80/21/286698021.db2.gz HMBIOJFRMVLEAT-ARLBYUKCSA-N 2 2 278.465 3.161 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1C ZINC000070143066 286985982 /nfs/dbraw/zinc/98/59/82/286985982.db2.gz LPOBMKVLCAMOFP-GJZGRUSLSA-N 2 2 292.471 3.181 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CCSCC1 ZINC000187110283 287035855 /nfs/dbraw/zinc/03/58/55/287035855.db2.gz XDERSQAJAZCELG-LSDHHAIUSA-N 2 2 284.513 3.228 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080506734 165159045 /nfs/dbraw/zinc/15/90/45/165159045.db2.gz JFJIYNKJHSAZKG-UHFFFAOYSA-N 2 2 290.451 3.222 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000090004383 165224959 /nfs/dbraw/zinc/22/49/59/165224959.db2.gz JKRNKJWCZOHHML-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000090004383 165224962 /nfs/dbraw/zinc/22/49/62/165224962.db2.gz JKRNKJWCZOHHML-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000091333705 287107668 /nfs/dbraw/zinc/10/76/68/287107668.db2.gz FOFFGZSBXNGIHL-GUYCJALGSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000091333705 287107670 /nfs/dbraw/zinc/10/76/70/287107670.db2.gz FOFFGZSBXNGIHL-GUYCJALGSA-N 2 2 258.409 3.210 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCCC1)CCC2 ZINC000092383845 165294462 /nfs/dbraw/zinc/29/44/62/165294462.db2.gz YSRYOBZQPHXLON-SFHVURJKSA-N 2 2 288.435 3.148 20 0 CGADLP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000093063104 165322083 /nfs/dbraw/zinc/32/20/83/165322083.db2.gz YIMLSSQCABSJKL-AWEZNQCLSA-N 2 2 278.415 3.426 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC([NH3+])CC1 ZINC000034958696 287129497 /nfs/dbraw/zinc/12/94/97/287129497.db2.gz ASEAVLOOHUGRCB-VIFPVBQESA-N 2 2 273.207 3.478 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000120887761 287188940 /nfs/dbraw/zinc/18/89/40/287188940.db2.gz VJSBCUSPLVYWRH-YSVLISHTSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000120887761 287188941 /nfs/dbraw/zinc/18/89/41/287188941.db2.gz VJSBCUSPLVYWRH-YSVLISHTSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000019960246 170943328 /nfs/dbraw/zinc/94/33/28/170943328.db2.gz ILJPXGRWYZARSA-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(F)cc1 ZINC000019960246 170943329 /nfs/dbraw/zinc/94/33/29/170943329.db2.gz ILJPXGRWYZARSA-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CC(C)OCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020198391 171062482 /nfs/dbraw/zinc/06/24/82/171062482.db2.gz LBRWTRSSMZYTHT-OAHLLOKOSA-N 2 2 287.407 3.338 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633989 196350861 /nfs/dbraw/zinc/35/08/61/196350861.db2.gz RJRXUHCAZQXINV-CVEARBPZSA-N 2 2 296.842 3.101 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633989 196350863 /nfs/dbraw/zinc/35/08/63/196350863.db2.gz RJRXUHCAZQXINV-CVEARBPZSA-N 2 2 296.842 3.101 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000127859565 287297518 /nfs/dbraw/zinc/29/75/18/287297518.db2.gz RCTMFLLAXUKIEH-ZDUSSCGKSA-N 2 2 264.457 3.418 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000127859565 287297520 /nfs/dbraw/zinc/29/75/20/287297520.db2.gz RCTMFLLAXUKIEH-ZDUSSCGKSA-N 2 2 264.457 3.418 20 0 CGADLP Cn1ccc(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000127920399 287299141 /nfs/dbraw/zinc/29/91/41/287299141.db2.gz SPNJQKKDMZTFAD-UHFFFAOYSA-N 2 2 285.435 3.025 20 0 CGADLP Cn1ccc(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000127920399 287299142 /nfs/dbraw/zinc/29/91/42/287299142.db2.gz SPNJQKKDMZTFAD-UHFFFAOYSA-N 2 2 285.435 3.025 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404376953 416552419 /nfs/dbraw/zinc/55/24/19/416552419.db2.gz SNSIANNDDLQHBX-OCCSQVGLSA-N 2 2 281.469 3.045 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404376953 416552423 /nfs/dbraw/zinc/55/24/23/416552423.db2.gz SNSIANNDDLQHBX-OCCSQVGLSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCc2ccccc21 ZINC000404704134 416557358 /nfs/dbraw/zinc/55/73/58/416557358.db2.gz HQBDWTPOMLARLF-AWEZNQCLSA-N 2 2 260.425 3.036 20 0 CGADLP C[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCc2ccccc21 ZINC000404704134 416557363 /nfs/dbraw/zinc/55/73/63/416557363.db2.gz HQBDWTPOMLARLF-AWEZNQCLSA-N 2 2 260.425 3.036 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130223615 287347970 /nfs/dbraw/zinc/34/79/70/287347970.db2.gz BNEBEBSPCVXLKB-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000679577552 543649065 /nfs/dbraw/zinc/64/90/65/543649065.db2.gz SKGXQDNCVWMJIV-LLVKDONJSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000679318631 543616688 /nfs/dbraw/zinc/61/66/88/543616688.db2.gz ORVOHMDUFKUBOL-KRWDZBQOSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000679318631 543616690 /nfs/dbraw/zinc/61/66/90/543616690.db2.gz ORVOHMDUFKUBOL-KRWDZBQOSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680329839 543698416 /nfs/dbraw/zinc/69/84/16/543698416.db2.gz RMEIFMOKHRBOSJ-BZUAXINKSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000680329839 543698418 /nfs/dbraw/zinc/69/84/18/543698418.db2.gz RMEIFMOKHRBOSJ-BZUAXINKSA-N 2 2 261.413 3.346 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000680336350 543699776 /nfs/dbraw/zinc/69/97/76/543699776.db2.gz FYQLKIFWEXEPDD-DLBZAZTESA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000681090698 543764705 /nfs/dbraw/zinc/76/47/05/543764705.db2.gz PIOISXVLKIBOPZ-JQRITLKVSA-N 2 2 294.389 3.067 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000681090698 543764707 /nfs/dbraw/zinc/76/47/07/543764707.db2.gz PIOISXVLKIBOPZ-JQRITLKVSA-N 2 2 294.389 3.067 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)CCC3CC3)[nH+]c12 ZINC000681108566 543766884 /nfs/dbraw/zinc/76/68/84/543766884.db2.gz QHIVIPTYGFTFPF-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131039589 287369232 /nfs/dbraw/zinc/36/92/32/287369232.db2.gz WQNSFJVVHRGQMG-HOCLYGCPSA-N 2 2 260.425 3.080 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131039589 287369234 /nfs/dbraw/zinc/36/92/34/287369234.db2.gz WQNSFJVVHRGQMG-HOCLYGCPSA-N 2 2 260.425 3.080 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000131236954 287373853 /nfs/dbraw/zinc/37/38/53/287373853.db2.gz GMLPBJOGWGBXOT-ZDUSSCGKSA-N 2 2 250.386 3.051 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)[nH]1 ZINC000684020474 543960964 /nfs/dbraw/zinc/96/09/64/543960964.db2.gz LJYAXKROIOJIFU-CQSZACIVSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)[nH]1 ZINC000684020474 543960967 /nfs/dbraw/zinc/96/09/67/543960967.db2.gz LJYAXKROIOJIFU-CQSZACIVSA-N 2 2 280.375 3.271 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684114343 543968069 /nfs/dbraw/zinc/96/80/69/543968069.db2.gz YYPNQYKOXANVPU-HIFRSBDPSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684114343 543968070 /nfs/dbraw/zinc/96/80/70/543968070.db2.gz YYPNQYKOXANVPU-HIFRSBDPSA-N 2 2 280.481 3.389 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000684361378 543984825 /nfs/dbraw/zinc/98/48/25/543984825.db2.gz CQSDVFGSAZVJCN-QAPCUYQASA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000684361378 543984827 /nfs/dbraw/zinc/98/48/27/543984827.db2.gz CQSDVFGSAZVJCN-QAPCUYQASA-N 2 2 298.434 3.102 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@H](F)C2)c[nH+]1 ZINC000684392471 543992169 /nfs/dbraw/zinc/99/21/69/543992169.db2.gz KEYYVACRKPIMFK-IUODEOHRSA-N 2 2 250.361 3.003 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](F)C2)c[nH+]1 ZINC000684392471 543992172 /nfs/dbraw/zinc/99/21/72/543992172.db2.gz KEYYVACRKPIMFK-IUODEOHRSA-N 2 2 250.361 3.003 20 0 CGADLP c1ccc2c(c1)ccnc2C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684425833 543998902 /nfs/dbraw/zinc/99/89/02/543998902.db2.gz VUVBKNYTWRCOKL-UHFFFAOYSA-N 2 2 295.430 3.341 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(OC)c1F ZINC000685459622 544073623 /nfs/dbraw/zinc/07/36/23/544073623.db2.gz JVVJGVXUAZFPIF-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(OC)c1F ZINC000685459622 544073625 /nfs/dbraw/zinc/07/36/25/544073625.db2.gz JVVJGVXUAZFPIF-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089667 227388915 /nfs/dbraw/zinc/38/89/15/227388915.db2.gz ROYIQPLSNLLTHA-MGPQQGTHSA-N 2 2 257.381 3.201 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089667 227388920 /nfs/dbraw/zinc/38/89/20/227388920.db2.gz ROYIQPLSNLLTHA-MGPQQGTHSA-N 2 2 257.381 3.201 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cs1 ZINC000652222269 418936754 /nfs/dbraw/zinc/93/67/54/418936754.db2.gz JEUSPJDMCQUMSA-GFCCVEGCSA-N 2 2 269.458 3.080 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cs1 ZINC000652222269 418936756 /nfs/dbraw/zinc/93/67/56/418936756.db2.gz JEUSPJDMCQUMSA-GFCCVEGCSA-N 2 2 269.458 3.080 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000653492851 419037606 /nfs/dbraw/zinc/03/76/06/419037606.db2.gz AZEQDDUEKFUWNN-UHFFFAOYSA-N 2 2 290.451 3.345 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497654 419038626 /nfs/dbraw/zinc/03/86/26/419038626.db2.gz PUNNKTWYJZUPGB-INIZCTEOSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497654 419038630 /nfs/dbraw/zinc/03/86/30/419038630.db2.gz PUNNKTWYJZUPGB-INIZCTEOSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000653536585 419043530 /nfs/dbraw/zinc/04/35/30/419043530.db2.gz AZFSTDFFVBGKGQ-MRXNPFEDSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000653536585 419043534 /nfs/dbraw/zinc/04/35/34/419043534.db2.gz AZFSTDFFVBGKGQ-MRXNPFEDSA-N 2 2 264.457 3.373 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653556899 419048738 /nfs/dbraw/zinc/04/87/38/419048738.db2.gz OYKWUOIRQQMZDD-GOSISDBHSA-N 2 2 283.419 3.362 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653556899 419048741 /nfs/dbraw/zinc/04/87/41/419048741.db2.gz OYKWUOIRQQMZDD-GOSISDBHSA-N 2 2 283.419 3.362 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834058 419012652 /nfs/dbraw/zinc/01/26/52/419012652.db2.gz SVWINNVUNAECLI-INIZCTEOSA-N 2 2 275.440 3.196 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834058 419012654 /nfs/dbraw/zinc/01/26/54/419012654.db2.gz SVWINNVUNAECLI-INIZCTEOSA-N 2 2 275.440 3.196 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000655767666 419091457 /nfs/dbraw/zinc/09/14/57/419091457.db2.gz HHQGMVKKCZNFGV-HOCLYGCPSA-N 2 2 281.403 3.161 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000655767666 419091461 /nfs/dbraw/zinc/09/14/61/419091461.db2.gz HHQGMVKKCZNFGV-HOCLYGCPSA-N 2 2 281.403 3.161 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1Br ZINC000665250104 419091933 /nfs/dbraw/zinc/09/19/33/419091933.db2.gz IFFZNPKFVRBIJG-LLVKDONJSA-N 2 2 297.240 3.371 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000665248747 419092437 /nfs/dbraw/zinc/09/24/37/419092437.db2.gz BQDUEZQDMHWYCW-AWEZNQCLSA-N 2 2 268.351 3.277 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000655774859 419094335 /nfs/dbraw/zinc/09/43/35/419094335.db2.gz KJINZIYTWOVOHW-KYHPRHEASA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000665265307 419096273 /nfs/dbraw/zinc/09/62/73/419096273.db2.gz UUWRGMQKEMSBCP-RNCFNFMXSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@@H](C)SC3)cn21 ZINC000655792868 419098754 /nfs/dbraw/zinc/09/87/54/419098754.db2.gz RRYRMDZYGYIWQA-HIFRSBDPSA-N 2 2 289.448 3.059 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1OC ZINC000665277845 419099515 /nfs/dbraw/zinc/09/95/15/419099515.db2.gz NJAQWPDSDRAPCS-WMEQCIOUSA-N 2 2 294.826 3.141 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)[C@@H]1CCCCO1 ZINC000653873276 419100401 /nfs/dbraw/zinc/10/04/01/419100401.db2.gz OCDQTLJSCNEAMA-ULQDDVLXSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)[C@@H]1CCCCO1 ZINC000653873276 419100405 /nfs/dbraw/zinc/10/04/05/419100405.db2.gz OCDQTLJSCNEAMA-ULQDDVLXSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(Br)c1 ZINC000665293797 419107077 /nfs/dbraw/zinc/10/70/77/419107077.db2.gz CYAOZIDXIOSBDB-ZWNOBZJWSA-N 2 2 285.229 3.098 20 0 CGADLP C(C[N@@H+]1CC[C@H](C2CCC2)C1)[NH+]1CC[C@H](C2CCC2)C1 ZINC000665288370 419107261 /nfs/dbraw/zinc/10/72/61/419107261.db2.gz KZOQCBCOYYPERH-ROUUACIJSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@H](C2CCC2)C1)[NH+]1CC[C@H](C2CCC2)C1 ZINC000665288370 419107262 /nfs/dbraw/zinc/10/72/62/419107262.db2.gz KZOQCBCOYYPERH-ROUUACIJSA-N 2 2 276.468 3.230 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000665295640 419108992 /nfs/dbraw/zinc/10/89/92/419108992.db2.gz GVDIECYRJFDLPZ-ZJUUUORDSA-N 2 2 295.477 3.439 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000665295556 419109041 /nfs/dbraw/zinc/10/90/41/419109041.db2.gz FVUVIKSKSPHPSE-MLGOLLRUSA-N 2 2 260.381 3.327 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000665297641 419111434 /nfs/dbraw/zinc/11/14/34/419111434.db2.gz JCLJKEYACCSMLL-VXGBXAGGSA-N 2 2 260.356 3.237 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653913249 419112291 /nfs/dbraw/zinc/11/22/91/419112291.db2.gz ZSEPUSYKWVWPFM-IRXDYDNUSA-N 2 2 299.418 3.032 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653913249 419112293 /nfs/dbraw/zinc/11/22/93/419112293.db2.gz ZSEPUSYKWVWPFM-IRXDYDNUSA-N 2 2 299.418 3.032 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848134 419118861 /nfs/dbraw/zinc/11/88/61/419118861.db2.gz BZLDRBQIJTYWEO-FVQBIDKESA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848134 419118864 /nfs/dbraw/zinc/11/88/64/419118864.db2.gz BZLDRBQIJTYWEO-FVQBIDKESA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000655848913 419120919 /nfs/dbraw/zinc/12/09/19/419120919.db2.gz LJKBKSJJYNTMIV-UAGQMJEPSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000655848913 419120920 /nfs/dbraw/zinc/12/09/20/419120920.db2.gz LJKBKSJJYNTMIV-UAGQMJEPSA-N 2 2 258.409 3.354 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655855442 419122808 /nfs/dbraw/zinc/12/28/08/419122808.db2.gz DOSSFJMHNAMENH-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655855442 419122811 /nfs/dbraw/zinc/12/28/11/419122811.db2.gz DOSSFJMHNAMENH-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nsc3ccccc32)CC[N@@H+]1C ZINC000659983684 419052852 /nfs/dbraw/zinc/05/28/52/419052852.db2.gz SISIUKLLRSWXGI-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nsc3ccccc32)CC[N@H+]1C ZINC000659983684 419052853 /nfs/dbraw/zinc/05/28/53/419052853.db2.gz SISIUKLLRSWXGI-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983684 419052856 /nfs/dbraw/zinc/05/28/56/419052856.db2.gz SISIUKLLRSWXGI-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983684 419052859 /nfs/dbraw/zinc/05/28/59/419052859.db2.gz SISIUKLLRSWXGI-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP CSc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000659998712 419058184 /nfs/dbraw/zinc/05/81/84/419058184.db2.gz KHTZRSWDRGDNJV-UHFFFAOYSA-N 2 2 287.432 3.442 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655682713 419063488 /nfs/dbraw/zinc/06/34/88/419063488.db2.gz ITAFDSUXZIABSV-TZMCWYRMSA-N 2 2 289.448 3.218 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000655683999 419063571 /nfs/dbraw/zinc/06/35/71/419063571.db2.gz LQJFTENHWTXPJJ-INIZCTEOSA-N 2 2 269.392 3.167 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CS1 ZINC000655690378 419066588 /nfs/dbraw/zinc/06/65/88/419066588.db2.gz NCQNDKIRISWWTC-BMFZPTHFSA-N 2 2 278.465 3.163 20 0 CGADLP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708546 419072893 /nfs/dbraw/zinc/07/28/93/419072893.db2.gz KKARVCXJMYVQKE-BPQIPLTHSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1sccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854974 419123988 /nfs/dbraw/zinc/12/39/88/419123988.db2.gz BQXCFYKALSFLOY-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854974 419123992 /nfs/dbraw/zinc/12/39/92/419123992.db2.gz BQXCFYKALSFLOY-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP c1csc([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000657295811 419244679 /nfs/dbraw/zinc/24/46/79/419244679.db2.gz ZMDRFRXYCZMADY-OAHLLOKOSA-N 2 2 273.405 3.132 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394304 419269094 /nfs/dbraw/zinc/26/90/94/419269094.db2.gz HRVQZQLMBPJXJF-DOMZBBRYSA-N 2 2 289.448 3.115 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394304 419269097 /nfs/dbraw/zinc/26/90/97/419269097.db2.gz HRVQZQLMBPJXJF-DOMZBBRYSA-N 2 2 289.448 3.115 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCCC1 ZINC000656788083 419219289 /nfs/dbraw/zinc/21/92/89/419219289.db2.gz AODPOMPORBRMFK-UHFFFAOYSA-N 2 2 293.461 3.233 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785657 419219635 /nfs/dbraw/zinc/21/96/35/419219635.db2.gz PIEVSXNMSVERPP-KXBFYZLASA-N 2 2 295.430 3.194 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785657 419219637 /nfs/dbraw/zinc/21/96/37/419219637.db2.gz PIEVSXNMSVERPP-KXBFYZLASA-N 2 2 295.430 3.194 20 0 CGADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000657444774 419280974 /nfs/dbraw/zinc/28/09/74/419280974.db2.gz MZIFFABZFKKKDK-KRWDZBQOSA-N 2 2 297.446 3.434 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@@H](C)C1 ZINC000657486497 419291217 /nfs/dbraw/zinc/29/12/17/419291217.db2.gz CKCVAZKXBKJBPG-RDBSUJKOSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657523091 419296854 /nfs/dbraw/zinc/29/68/54/419296854.db2.gz DFOHAVFTZKZCQE-DWTRPJMMSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657523091 419296856 /nfs/dbraw/zinc/29/68/56/419296856.db2.gz DFOHAVFTZKZCQE-DWTRPJMMSA-N 2 2 276.399 3.301 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000657523819 419297090 /nfs/dbraw/zinc/29/70/90/419297090.db2.gz LDIOACCAUPGGOF-GFCCVEGCSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000657523819 419297093 /nfs/dbraw/zinc/29/70/93/419297093.db2.gz LDIOACCAUPGGOF-GFCCVEGCSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000657523823 419297471 /nfs/dbraw/zinc/29/74/71/419297471.db2.gz LDIOACCAUPGGOF-LBPRGKRZSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000657523823 419297476 /nfs/dbraw/zinc/29/74/76/419297476.db2.gz LDIOACCAUPGGOF-LBPRGKRZSA-N 2 2 252.427 3.019 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657522310 419297494 /nfs/dbraw/zinc/29/74/94/419297494.db2.gz ASGXOFFPWZTGRF-LSDHHAIUSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657522310 419297495 /nfs/dbraw/zinc/29/74/95/419297495.db2.gz ASGXOFFPWZTGRF-LSDHHAIUSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000657525576 419297806 /nfs/dbraw/zinc/29/78/06/419297806.db2.gz STCPQCFWQDRQON-JCVNQNCUSA-N 2 2 258.409 3.162 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000657525576 419297809 /nfs/dbraw/zinc/29/78/09/419297809.db2.gz STCPQCFWQDRQON-JCVNQNCUSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC(F)CC1 ZINC000661999442 419322451 /nfs/dbraw/zinc/32/24/51/419322451.db2.gz BVEXZRFGHNSDKA-FHERZECASA-N 2 2 270.436 3.225 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000657742370 419335739 /nfs/dbraw/zinc/33/57/39/419335739.db2.gz QXKCJAVNGDKIKS-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000657742370 419335741 /nfs/dbraw/zinc/33/57/41/419335741.db2.gz QXKCJAVNGDKIKS-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000662200432 419360044 /nfs/dbraw/zinc/36/00/44/419360044.db2.gz GOCCZVKGQVBHDH-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000662200432 419360046 /nfs/dbraw/zinc/36/00/46/419360046.db2.gz GOCCZVKGQVBHDH-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000657879167 419400274 /nfs/dbraw/zinc/40/02/74/419400274.db2.gz KUKUHMKPFBYZHR-JKSUJKDBSA-N 2 2 290.451 3.054 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657879167 419400277 /nfs/dbraw/zinc/40/02/77/419400277.db2.gz KUKUHMKPFBYZHR-JKSUJKDBSA-N 2 2 290.451 3.054 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662272643 419378117 /nfs/dbraw/zinc/37/81/17/419378117.db2.gz HJLBWNQQDAFFTP-BGTYHANMSA-N 2 2 290.426 3.202 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662272643 419378123 /nfs/dbraw/zinc/37/81/23/419378123.db2.gz HJLBWNQQDAFFTP-BGTYHANMSA-N 2 2 290.426 3.202 20 0 CGADLP CCOC1CCC([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000657844254 419386609 /nfs/dbraw/zinc/38/66/09/419386609.db2.gz HULJJEZWNDPBMK-UHFFFAOYSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC1CCC([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000657844254 419386614 /nfs/dbraw/zinc/38/66/14/419386614.db2.gz HULJJEZWNDPBMK-UHFFFAOYSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992360 419482297 /nfs/dbraw/zinc/48/22/97/419482297.db2.gz IBFDOMSBCNULQG-AAEUAGOBSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992360 419482306 /nfs/dbraw/zinc/48/23/06/419482306.db2.gz IBFDOMSBCNULQG-AAEUAGOBSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897382 419422922 /nfs/dbraw/zinc/42/29/22/419422922.db2.gz SZUBFGQEJMBTIN-HOCLYGCPSA-N 2 2 297.402 3.235 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657928390 419446430 /nfs/dbraw/zinc/44/64/30/419446430.db2.gz DWAWGPZMNVAAAJ-ZDUSSCGKSA-N 2 2 281.359 3.425 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@@H]1c1ccccc1 ZINC000657937888 419451499 /nfs/dbraw/zinc/45/14/99/419451499.db2.gz VTKRJGJSLZINHF-HOTGVXAUSA-N 2 2 294.389 3.109 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@@H]1c1ccccc1 ZINC000657937888 419451510 /nfs/dbraw/zinc/45/15/10/419451510.db2.gz VTKRJGJSLZINHF-HOTGVXAUSA-N 2 2 294.389 3.109 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658056777 419523041 /nfs/dbraw/zinc/52/30/41/419523041.db2.gz LYENHHMFJXDSTD-GDBMZVCRSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658056777 419523053 /nfs/dbraw/zinc/52/30/53/419523053.db2.gz LYENHHMFJXDSTD-GDBMZVCRSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658061953 419534768 /nfs/dbraw/zinc/53/47/68/419534768.db2.gz PYYRUXNALQJUKX-HIFRSBDPSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658061953 419534777 /nfs/dbraw/zinc/53/47/77/419534777.db2.gz PYYRUXNALQJUKX-HIFRSBDPSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658063423 419535899 /nfs/dbraw/zinc/53/58/99/419535899.db2.gz VIMGVOXVKVGNFU-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658063423 419535906 /nfs/dbraw/zinc/53/59/06/419535906.db2.gz VIMGVOXVKVGNFU-BFHYXJOUSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000663322737 419555669 /nfs/dbraw/zinc/55/56/69/419555669.db2.gz ZGZLWBSKMHQNBH-INIZCTEOSA-N 2 2 269.392 3.111 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091876 419563308 /nfs/dbraw/zinc/56/33/08/419563308.db2.gz NPAXWRNZUWMDET-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091876 419563316 /nfs/dbraw/zinc/56/33/16/419563316.db2.gz NPAXWRNZUWMDET-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092350 419565602 /nfs/dbraw/zinc/56/56/02/419565602.db2.gz PVUVWGUMTWYYMG-CVEARBPZSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092350 419565608 /nfs/dbraw/zinc/56/56/08/419565608.db2.gz PVUVWGUMTWYYMG-CVEARBPZSA-N 2 2 292.854 3.270 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090393 419565629 /nfs/dbraw/zinc/56/56/29/419565629.db2.gz HCCKDEDXODEZSS-PBHICJAKSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090393 419565634 /nfs/dbraw/zinc/56/56/34/419565634.db2.gz HCCKDEDXODEZSS-PBHICJAKSA-N 2 2 272.436 3.445 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccncc2s1 ZINC000658019962 419494696 /nfs/dbraw/zinc/49/46/96/419494696.db2.gz PSLPFEPDMZNVLL-JQWIXIFHSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccncc2s1 ZINC000658019962 419494703 /nfs/dbraw/zinc/49/47/03/419494703.db2.gz PSLPFEPDMZNVLL-JQWIXIFHSA-N 2 2 298.415 3.228 20 0 CGADLP c1sc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1-c1ccccc1 ZINC000663501405 419636329 /nfs/dbraw/zinc/63/63/29/419636329.db2.gz HIDYHVLYIDLGKL-UHFFFAOYSA-N 2 2 284.428 3.257 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095561 419573447 /nfs/dbraw/zinc/57/34/47/419573447.db2.gz JACYLLAWYNWYOW-ZIAGYGMSSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095561 419573457 /nfs/dbraw/zinc/57/34/57/419573457.db2.gz JACYLLAWYNWYOW-ZIAGYGMSSA-N 2 2 297.446 3.098 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccsc2)C1 ZINC000658283723 419729418 /nfs/dbraw/zinc/72/94/18/419729418.db2.gz COYNESHGOIROSM-HIFRSBDPSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccsc2)C1 ZINC000658283723 419729425 /nfs/dbraw/zinc/72/94/25/419729425.db2.gz COYNESHGOIROSM-HIFRSBDPSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658286164 419732807 /nfs/dbraw/zinc/73/28/07/419732807.db2.gz POVOFMSGUXPJOQ-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658286164 419732814 /nfs/dbraw/zinc/73/28/14/419732814.db2.gz POVOFMSGUXPJOQ-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccc[nH+]c1CCCNc1[nH+]ccc2[nH]ccc21 ZINC000663966255 419776497 /nfs/dbraw/zinc/77/64/97/419776497.db2.gz UUKCSMBZQOZDNE-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391197474 262388749 /nfs/dbraw/zinc/38/87/49/262388749.db2.gz NAQBNOGSJZSHDP-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391197474 262388750 /nfs/dbraw/zinc/38/87/50/262388750.db2.gz NAQBNOGSJZSHDP-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000037236898 270029454 /nfs/dbraw/zinc/02/94/54/270029454.db2.gz IQRWSKDWMFZRIQ-CYBMUJFWSA-N 2 2 294.414 3.359 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000041075835 270030384 /nfs/dbraw/zinc/03/03/84/270030384.db2.gz RIPYJLZPEMBTOX-SFHVURJKSA-N 2 2 272.436 3.459 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000044535533 270036108 /nfs/dbraw/zinc/03/61/08/270036108.db2.gz JIKXHZWRRDMNCU-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000044535533 270036110 /nfs/dbraw/zinc/03/61/10/270036110.db2.gz JIKXHZWRRDMNCU-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccs1 ZINC000045105689 270038087 /nfs/dbraw/zinc/03/80/87/270038087.db2.gz JVHHZDOPUYYWTB-ZDUSSCGKSA-N 2 2 263.410 3.466 20 0 CGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000322432247 270093522 /nfs/dbraw/zinc/09/35/22/270093522.db2.gz CGGBGUGZABPUJF-MRXNPFEDSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000525874738 270120366 /nfs/dbraw/zinc/12/03/66/270120366.db2.gz HBCQBFGLNYEMSN-CABCVRRESA-N 2 2 278.415 3.393 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000525874738 270120367 /nfs/dbraw/zinc/12/03/67/270120367.db2.gz HBCQBFGLNYEMSN-CABCVRRESA-N 2 2 278.415 3.393 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000527750427 270134265 /nfs/dbraw/zinc/13/42/65/270134265.db2.gz LGSBKCCGWBYXNZ-YJBOKZPZSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000527750427 270134266 /nfs/dbraw/zinc/13/42/66/270134266.db2.gz LGSBKCCGWBYXNZ-YJBOKZPZSA-N 2 2 270.420 3.205 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808057 270137829 /nfs/dbraw/zinc/13/78/29/270137829.db2.gz PNUFYCZYSDYARL-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808057 270137830 /nfs/dbraw/zinc/13/78/30/270137830.db2.gz PNUFYCZYSDYARL-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527830003 270138493 /nfs/dbraw/zinc/13/84/93/270138493.db2.gz LWAAFSYHDCHWQX-MRXNPFEDSA-N 2 2 299.418 3.004 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527830003 270138494 /nfs/dbraw/zinc/13/84/94/270138494.db2.gz LWAAFSYHDCHWQX-MRXNPFEDSA-N 2 2 299.418 3.004 20 0 CGADLP COc1ccc[nH+]c1NCc1ccccc1C[NH+]1CCCC1 ZINC000527832279 270138775 /nfs/dbraw/zinc/13/87/75/270138775.db2.gz KZWREJOHPINSTA-UHFFFAOYSA-N 2 2 297.402 3.298 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850726 270139761 /nfs/dbraw/zinc/13/97/61/270139761.db2.gz KLPHXFXAHDDROD-IAQYHMDHSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527850726 270139762 /nfs/dbraw/zinc/13/97/62/270139762.db2.gz KLPHXFXAHDDROD-IAQYHMDHSA-N 2 2 282.790 3.150 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)[NH+](C)C)cc1 ZINC000527855771 270140041 /nfs/dbraw/zinc/14/00/41/270140041.db2.gz ODKVVPMTTLCSSQ-OIISXLGYSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CC12CC2 ZINC000527857172 270140064 /nfs/dbraw/zinc/14/00/64/270140064.db2.gz GPKSAQLEQQCNCD-MELADBBJSA-N 2 2 287.451 3.274 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527889592 270142050 /nfs/dbraw/zinc/14/20/50/270142050.db2.gz GHWXOVSNSKKUIY-AHCXZYCDSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527889592 270142051 /nfs/dbraw/zinc/14/20/51/270142051.db2.gz GHWXOVSNSKKUIY-AHCXZYCDSA-N 2 2 284.447 3.285 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]2CC23CC3)cc1 ZINC000527898667 270142904 /nfs/dbraw/zinc/14/29/04/270142904.db2.gz LKEOHLYSISRSEP-XYPHTWIQSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC12CC2 ZINC000527903669 270143281 /nfs/dbraw/zinc/14/32/81/270143281.db2.gz ZIQRPYJOLVANFE-UOVPBQLFSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC12CC2 ZINC000527903669 270143282 /nfs/dbraw/zinc/14/32/82/270143282.db2.gz ZIQRPYJOLVANFE-UOVPBQLFSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527923947 270144537 /nfs/dbraw/zinc/14/45/37/270144537.db2.gz CYFHPSMHXFQUKE-JKSUJKDBSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993467 270148971 /nfs/dbraw/zinc/14/89/71/270148971.db2.gz VPEBGHUEEDWIIV-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993467 270148972 /nfs/dbraw/zinc/14/89/72/270148972.db2.gz VPEBGHUEEDWIIV-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528007855 270150723 /nfs/dbraw/zinc/15/07/23/270150723.db2.gz CWNABKZMZGGFHN-BBRMVZONSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528007855 270150724 /nfs/dbraw/zinc/15/07/24/270150724.db2.gz CWNABKZMZGGFHN-BBRMVZONSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528007858 270150866 /nfs/dbraw/zinc/15/08/66/270150866.db2.gz CWNABKZMZGGFHN-CJNGLKHVSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528007858 270150867 /nfs/dbraw/zinc/15/08/67/270150867.db2.gz CWNABKZMZGGFHN-CJNGLKHVSA-N 2 2 278.465 3.286 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008418 270151217 /nfs/dbraw/zinc/15/12/17/270151217.db2.gz DQYQWLOBZAJWFW-WMLDXEAASA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008418 270151218 /nfs/dbraw/zinc/15/12/18/270151218.db2.gz DQYQWLOBZAJWFW-WMLDXEAASA-N 2 2 288.435 3.363 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014259 270151632 /nfs/dbraw/zinc/15/16/32/270151632.db2.gz UIQQFGZBNIJDRD-GOEBONIOSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014259 270151633 /nfs/dbraw/zinc/15/16/33/270151633.db2.gz UIQQFGZBNIJDRD-GOEBONIOSA-N 2 2 273.424 3.058 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529531997 270182907 /nfs/dbraw/zinc/18/29/07/270182907.db2.gz GPWKWRPGBBFPAV-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccsc2C(F)(F)F)C1 ZINC000529531997 270182908 /nfs/dbraw/zinc/18/29/08/270182908.db2.gz GPWKWRPGBBFPAV-SNVBAGLBSA-N 2 2 292.370 3.150 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC000529535462 270183194 /nfs/dbraw/zinc/18/31/94/270183194.db2.gz HCEHKGUHLKIGSJ-GFCCVEGCSA-N 2 2 291.345 3.396 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530222797 270196489 /nfs/dbraw/zinc/19/64/89/270196489.db2.gz RVFFPVXTUREHEE-GOEBONIOSA-N 2 2 258.409 3.239 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1csc(Cl)c1 ZINC000530215690 270195705 /nfs/dbraw/zinc/19/57/05/270195705.db2.gz HZKNXXXBLSZGOH-GXSJLCMTSA-N 2 2 270.829 3.337 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530217657 270196282 /nfs/dbraw/zinc/19/62/82/270196282.db2.gz GVZPZCGARSXEKB-HOCLYGCPSA-N 2 2 258.409 3.239 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530218229 270196299 /nfs/dbraw/zinc/19/62/99/270196299.db2.gz IIADIZSTKPNBDF-CVEARBPZSA-N 2 2 270.420 3.283 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699313 270208932 /nfs/dbraw/zinc/20/89/32/270208932.db2.gz DVZJZQDQMGRHLC-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699313 270208933 /nfs/dbraw/zinc/20/89/33/270208933.db2.gz DVZJZQDQMGRHLC-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000531939671 270211091 /nfs/dbraw/zinc/21/10/91/270211091.db2.gz WXLSKJGDVQCCKY-DOTOQJQBSA-N 2 2 262.441 3.328 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000531983854 270212260 /nfs/dbraw/zinc/21/22/60/270212260.db2.gz CBAAGRVYTMVBGT-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000531983854 270212261 /nfs/dbraw/zinc/21/22/61/270212261.db2.gz CBAAGRVYTMVBGT-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000532231023 270214570 /nfs/dbraw/zinc/21/45/70/270214570.db2.gz DUOMNABBGQYYAN-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000423147697 274261718 /nfs/dbraw/zinc/26/17/18/274261718.db2.gz SRFOFPVHAKTWDB-JLZZUVOBSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000313266758 274312832 /nfs/dbraw/zinc/31/28/32/274312832.db2.gz JIXLXNGTUWPRLP-CXAGYDPISA-N 2 2 269.392 3.191 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251811648 274353899 /nfs/dbraw/zinc/35/38/99/274353899.db2.gz OMUDYCPMGZAUMQ-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251811648 274353900 /nfs/dbraw/zinc/35/39/00/274353900.db2.gz OMUDYCPMGZAUMQ-NOZJJQNGSA-N 2 2 290.304 3.014 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C2CCCC2)CC1 ZINC000179312957 274889477 /nfs/dbraw/zinc/88/94/77/274889477.db2.gz MGXBZVBOOGBIKY-UHFFFAOYSA-N 2 2 298.434 3.392 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423290011 275552209 /nfs/dbraw/zinc/55/22/09/275552209.db2.gz YZMFCWSFOACBCI-NSHDSACASA-N 2 2 273.207 3.308 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423263174 275585723 /nfs/dbraw/zinc/58/57/23/275585723.db2.gz NZZJPMSUKRYGKA-RYUDHWBXSA-N 2 2 281.469 3.046 20 0 CGADLP CC1(C)CCC(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335338584 275810619 /nfs/dbraw/zinc/81/06/19/275810619.db2.gz ADMGVKBAXMKXDY-CQSZACIVSA-N 2 2 261.413 3.004 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(F)c1F ZINC000423297782 275981740 /nfs/dbraw/zinc/98/17/40/275981740.db2.gz LVWYVTBUHJBIJR-MNOVXSKESA-N 2 2 256.340 3.133 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423316854 276017565 /nfs/dbraw/zinc/01/75/65/276017565.db2.gz YHWSAXISMXTXLG-AAEUAGOBSA-N 2 2 252.427 3.276 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093770108 276074774 /nfs/dbraw/zinc/07/47/74/276074774.db2.gz JFXBJXGDIJDVRX-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093770108 276074775 /nfs/dbraw/zinc/07/47/75/276074775.db2.gz JFXBJXGDIJDVRX-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093770108 276074776 /nfs/dbraw/zinc/07/47/76/276074776.db2.gz JFXBJXGDIJDVRX-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093770108 276074778 /nfs/dbraw/zinc/07/47/78/276074778.db2.gz JFXBJXGDIJDVRX-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000459520120 276104934 /nfs/dbraw/zinc/10/49/34/276104934.db2.gz QPSZURPFLHHUPJ-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000459520120 276104935 /nfs/dbraw/zinc/10/49/35/276104935.db2.gz QPSZURPFLHHUPJ-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094438 276187744 /nfs/dbraw/zinc/18/77/44/276187744.db2.gz RXLKDHYVEPHETC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094438 276187746 /nfs/dbraw/zinc/18/77/46/276187746.db2.gz RXLKDHYVEPHETC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000414351430 276217526 /nfs/dbraw/zinc/21/75/26/276217526.db2.gz VTVFMMVUFYIGEQ-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000414351430 276217527 /nfs/dbraw/zinc/21/75/27/276217527.db2.gz VTVFMMVUFYIGEQ-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000344630284 276252360 /nfs/dbraw/zinc/25/23/60/276252360.db2.gz MBNJPPXAWGWOLE-NUEKZKHPSA-N 2 2 288.435 3.219 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000344630284 276252361 /nfs/dbraw/zinc/25/23/61/276252361.db2.gz MBNJPPXAWGWOLE-NUEKZKHPSA-N 2 2 288.435 3.219 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423383916 276270922 /nfs/dbraw/zinc/27/09/22/276270922.db2.gz PKZXHHKMWQQBNI-OZVIIMIRSA-N 2 2 264.388 3.037 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000479850266 276561756 /nfs/dbraw/zinc/56/17/56/276561756.db2.gz GXSYICVLUGTQON-YQQAZPJKSA-N 2 2 262.441 3.184 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000317797054 287944149 /nfs/dbraw/zinc/94/41/49/287944149.db2.gz RMCPEXNQRWVXGU-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1ccncc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000317797055 287944156 /nfs/dbraw/zinc/94/41/56/287944156.db2.gz RMCPEXNQRWVXGU-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000346681036 277285579 /nfs/dbraw/zinc/28/55/79/277285579.db2.gz OBYSAELBHFLILI-OAHLLOKOSA-N 2 2 272.392 3.233 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc2cc(C)c(C)cc2o1 ZINC000346681036 277285581 /nfs/dbraw/zinc/28/55/81/277285581.db2.gz OBYSAELBHFLILI-OAHLLOKOSA-N 2 2 272.392 3.233 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395304149 288007842 /nfs/dbraw/zinc/00/78/42/288007842.db2.gz SWYAGOVHIUDLGT-RHSMWYFYSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395304149 288007843 /nfs/dbraw/zinc/00/78/43/288007843.db2.gz SWYAGOVHIUDLGT-RHSMWYFYSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)OCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000396330966 288012830 /nfs/dbraw/zinc/01/28/30/288012830.db2.gz GBCRQIDTSKIBQK-UHFFFAOYSA-N 2 2 287.407 3.166 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000420285663 278182396 /nfs/dbraw/zinc/18/23/96/278182396.db2.gz FJRVCNYTHIORLS-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000420285663 278182397 /nfs/dbraw/zinc/18/23/97/278182397.db2.gz FJRVCNYTHIORLS-CQSZACIVSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000362913140 278207662 /nfs/dbraw/zinc/20/76/62/278207662.db2.gz LHLKGXPXCRYIPJ-LSDHHAIUSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000362913140 278207663 /nfs/dbraw/zinc/20/76/63/278207663.db2.gz LHLKGXPXCRYIPJ-LSDHHAIUSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453398339 278220142 /nfs/dbraw/zinc/22/01/42/278220142.db2.gz MWTZIPZEKRQWPF-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453398339 278220143 /nfs/dbraw/zinc/22/01/43/278220143.db2.gz MWTZIPZEKRQWPF-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000397688750 288027405 /nfs/dbraw/zinc/02/74/05/288027405.db2.gz YLCVNVSHQAJMOE-XMTFNYHQSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000397688750 288027408 /nfs/dbraw/zinc/02/74/08/288027408.db2.gz YLCVNVSHQAJMOE-XMTFNYHQSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000343642925 278311570 /nfs/dbraw/zinc/31/15/70/278311570.db2.gz QDOQROIFRBJDHW-BMFZPTHFSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000343642925 278311571 /nfs/dbraw/zinc/31/15/71/278311571.db2.gz QDOQROIFRBJDHW-BMFZPTHFSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397851311 288032847 /nfs/dbraw/zinc/03/28/47/288032847.db2.gz ZUSYHXWFAHLZPX-ZFWWWQNUSA-N 2 2 273.424 3.075 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397872982 288033459 /nfs/dbraw/zinc/03/34/59/288033459.db2.gz ISYBWTVHGSMWCW-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397872982 288033461 /nfs/dbraw/zinc/03/34/61/288033461.db2.gz ISYBWTVHGSMWCW-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCCC1 ZINC000336608213 278376624 /nfs/dbraw/zinc/37/66/24/278376624.db2.gz IEJYTIBHXBQZPD-UKRRQHHQSA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@@H]1C ZINC000414160246 288045155 /nfs/dbraw/zinc/04/51/55/288045155.db2.gz ZJNAGAHPFVBQOT-HNKHHVNMSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@@H]1C ZINC000414160246 288045156 /nfs/dbraw/zinc/04/51/56/288045156.db2.gz ZJNAGAHPFVBQOT-HNKHHVNMSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(NC(C)(C)CC[NH+]2CCCCCC2)nc[nH+]1 ZINC000302336323 278733505 /nfs/dbraw/zinc/73/35/05/278733505.db2.gz AUWQRQPTXOJINR-UHFFFAOYSA-N 2 2 276.428 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000343537345 278920204 /nfs/dbraw/zinc/92/02/04/278920204.db2.gz MOOCIHLKTAQFOH-XYPHTWIQSA-N 2 2 290.476 3.262 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459395540 288088540 /nfs/dbraw/zinc/08/85/40/288088540.db2.gz HYUNSSSXPQICJC-UHFFFAOYSA-N 2 2 260.425 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459395540 288088543 /nfs/dbraw/zinc/08/85/43/288088543.db2.gz HYUNSSSXPQICJC-UHFFFAOYSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346349449 279093446 /nfs/dbraw/zinc/09/34/46/279093446.db2.gz ZTQATRDVAQCFEM-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@H+]1C ZINC000346349449 279093449 /nfs/dbraw/zinc/09/34/49/279093449.db2.gz ZTQATRDVAQCFEM-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2s1 ZINC000261973640 279124530 /nfs/dbraw/zinc/12/45/30/279124530.db2.gz QPDSLBGKGFJUII-NHYWBVRUSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2s1 ZINC000261973640 279124532 /nfs/dbraw/zinc/12/45/32/279124532.db2.gz QPDSLBGKGFJUII-NHYWBVRUSA-N 2 2 289.448 3.164 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000226570709 279165288 /nfs/dbraw/zinc/16/52/88/279165288.db2.gz PTXMNIWYANCBIU-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362928000 279282577 /nfs/dbraw/zinc/28/25/77/279282577.db2.gz NYFRSEZOMJNKSW-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362928000 279282579 /nfs/dbraw/zinc/28/25/79/279282579.db2.gz NYFRSEZOMJNKSW-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCCC2 ZINC000423204199 279293259 /nfs/dbraw/zinc/29/32/59/279293259.db2.gz NYMWLRBITPHLJK-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359597511 279314984 /nfs/dbraw/zinc/31/49/84/279314984.db2.gz ZGPLUQOGPHJNLZ-HIFRSBDPSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359597511 279314986 /nfs/dbraw/zinc/31/49/86/279314986.db2.gz ZGPLUQOGPHJNLZ-HIFRSBDPSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000491424686 279315112 /nfs/dbraw/zinc/31/51/12/279315112.db2.gz WLSNOYVKKSRCQK-LESCRADOSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000491424686 279315113 /nfs/dbraw/zinc/31/51/13/279315113.db2.gz WLSNOYVKKSRCQK-LESCRADOSA-N 2 2 272.436 3.302 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000474890490 279348180 /nfs/dbraw/zinc/34/81/80/279348180.db2.gz AEPPNZPRMJACFZ-UPJWGTAASA-N 2 2 268.832 3.372 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+]1CCOCC1 ZINC000449163621 279349026 /nfs/dbraw/zinc/34/90/26/279349026.db2.gz MZVIYOAIRZIMQY-IAGOWNOFSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000449212007 279383592 /nfs/dbraw/zinc/38/35/92/279383592.db2.gz YXQBVQQEVYCIJG-JLSDUUJJSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000449212007 279383597 /nfs/dbraw/zinc/38/35/97/279383597.db2.gz YXQBVQQEVYCIJG-JLSDUUJJSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000130067104 279388330 /nfs/dbraw/zinc/38/83/30/279388330.db2.gz ZDCYOPIHAOMDGG-IAQYHMDHSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348536518 279469734 /nfs/dbraw/zinc/46/97/34/279469734.db2.gz SGNQNSRGWUIYJO-RLFYNMQTSA-N 2 2 288.435 3.015 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356852981 279497950 /nfs/dbraw/zinc/49/79/50/279497950.db2.gz RVWYLNGOIGWSIY-ZOBUZTSGSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527852840 288197866 /nfs/dbraw/zinc/19/78/66/288197866.db2.gz RZBZKLLMHKGGBD-MEBBXXQBSA-N 2 2 293.773 3.341 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423241229 280189149 /nfs/dbraw/zinc/18/91/49/280189149.db2.gz UUHWRRHZHBZZKE-UONOGXRCSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000358087923 281126266 /nfs/dbraw/zinc/12/62/66/281126266.db2.gz QNPJFUGXQLMUOA-XWIAVFTESA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@H]1C)CC2 ZINC000358087923 281126270 /nfs/dbraw/zinc/12/62/70/281126270.db2.gz QNPJFUGXQLMUOA-XWIAVFTESA-N 2 2 270.420 3.055 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179087 288295939 /nfs/dbraw/zinc/29/59/39/288295939.db2.gz STQVSQSCZAMPSA-GOSISDBHSA-N 2 2 296.414 3.223 20 0 CGADLP Cc1cccc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000357678839 281247713 /nfs/dbraw/zinc/24/77/13/281247713.db2.gz GBEYZCGRCYHCRY-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000488558248 281388967 /nfs/dbraw/zinc/38/89/67/281388967.db2.gz MKKQUFBUZGGEEM-JKQORVJESA-N 2 2 260.425 3.232 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3cc(F)ccc31)CCC2 ZINC000374576346 281552199 /nfs/dbraw/zinc/55/21/99/281552199.db2.gz PCIDKTKDQPFACP-WMLDXEAASA-N 2 2 299.393 3.485 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)C1CCOCC1 ZINC000531718201 288342649 /nfs/dbraw/zinc/34/26/49/288342649.db2.gz ODEGWJXDYIXESA-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)C1CCOCC1 ZINC000531718201 288342650 /nfs/dbraw/zinc/34/26/50/288342650.db2.gz ODEGWJXDYIXESA-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000532195064 288354956 /nfs/dbraw/zinc/35/49/56/288354956.db2.gz YGRQNOOFXJYIBW-KRWDZBQOSA-N 2 2 286.423 3.435 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455423 288362215 /nfs/dbraw/zinc/36/22/15/288362215.db2.gz KCRRTZHMSKSBPX-KUQKPQIMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455423 288362218 /nfs/dbraw/zinc/36/22/18/288362218.db2.gz KCRRTZHMSKSBPX-KUQKPQIMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532474853 288363689 /nfs/dbraw/zinc/36/36/89/288363689.db2.gz OZSQTQXEIHONHX-QPHFJENPSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)o1 ZINC000532474853 288363690 /nfs/dbraw/zinc/36/36/90/288363690.db2.gz OZSQTQXEIHONHX-QPHFJENPSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609606 289048381 /nfs/dbraw/zinc/04/83/81/289048381.db2.gz CAGUNXYAYJNSSE-QSUGNCRHSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609606 289048382 /nfs/dbraw/zinc/04/83/82/289048382.db2.gz CAGUNXYAYJNSSE-QSUGNCRHSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000551085665 289098465 /nfs/dbraw/zinc/09/84/65/289098465.db2.gz FBNUNLDLUAYZCF-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000551085665 289098468 /nfs/dbraw/zinc/09/84/68/289098468.db2.gz FBNUNLDLUAYZCF-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000551535339 289120636 /nfs/dbraw/zinc/12/06/36/289120636.db2.gz VUOZIZLUQQNMGF-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000551535339 289120639 /nfs/dbraw/zinc/12/06/39/289120639.db2.gz VUOZIZLUQQNMGF-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572728 289122959 /nfs/dbraw/zinc/12/29/59/289122959.db2.gz JLLAVAMQJFTNTJ-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572728 289122961 /nfs/dbraw/zinc/12/29/61/289122961.db2.gz JLLAVAMQJFTNTJ-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000552252782 289176046 /nfs/dbraw/zinc/17/60/46/289176046.db2.gz XPRZMOYGZPAONY-DOTOQJQBSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(C)c1 ZINC000552252782 289176049 /nfs/dbraw/zinc/17/60/49/289176049.db2.gz XPRZMOYGZPAONY-DOTOQJQBSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554347877 289273048 /nfs/dbraw/zinc/27/30/48/289273048.db2.gz XWNAQYIMXJVYTR-IRXDYDNUSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235437 289334994 /nfs/dbraw/zinc/33/49/94/289334994.db2.gz HBYIZKVBIWENCJ-LMSBXDPUSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235437 289334995 /nfs/dbraw/zinc/33/49/95/289334995.db2.gz HBYIZKVBIWENCJ-LMSBXDPUSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292272559 290214943 /nfs/dbraw/zinc/21/49/43/290214943.db2.gz ZUGIRSZOYKKZCG-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292272559 290214946 /nfs/dbraw/zinc/21/49/46/290214946.db2.gz ZUGIRSZOYKKZCG-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292272559 290214948 /nfs/dbraw/zinc/21/49/48/290214948.db2.gz ZUGIRSZOYKKZCG-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292272559 290214950 /nfs/dbraw/zinc/21/49/50/290214950.db2.gz ZUGIRSZOYKKZCG-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000422870200 294762877 /nfs/dbraw/zinc/76/28/77/294762877.db2.gz BLQLGESZZWNQQQ-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)c2ccccc21 ZINC000422981449 295325579 /nfs/dbraw/zinc/32/55/79/295325579.db2.gz SWAHKJJCBWPHNA-ZACQAIPSSA-N 2 2 280.371 3.114 20 0 CGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423230477 295404964 /nfs/dbraw/zinc/40/49/64/295404964.db2.gz DRRSOFIOSYWWDP-MAUKXSAKSA-N 2 2 288.435 3.268 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423239467 301288987 /nfs/dbraw/zinc/28/89/87/301288987.db2.gz RYVWEOLWTBJFNL-DZGCQCFKSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400469258 301454750 /nfs/dbraw/zinc/45/47/50/301454750.db2.gz XDQGAPPNNIJWRK-QEJZJMRPSA-N 2 2 276.424 3.332 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247888429 302179669 /nfs/dbraw/zinc/17/96/69/302179669.db2.gz DQHCSNZZFQJCEQ-ULQDDVLXSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000162278407 321881070 /nfs/dbraw/zinc/88/10/70/321881070.db2.gz GVHBIWIUYLFFHH-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)[nH+]c1 ZINC000403385021 321970280 /nfs/dbraw/zinc/97/02/80/321970280.db2.gz GFZUGROPNIUFDN-OAGGEKHMSA-N 2 2 285.435 3.076 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H](C)Cn1cc[nH+]c1 ZINC000564893063 322048411 /nfs/dbraw/zinc/04/84/11/322048411.db2.gz RPJUBURSYHPUJN-ZDUSSCGKSA-N 2 2 266.348 3.240 20 0 CGADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000565174398 322064939 /nfs/dbraw/zinc/06/49/39/322064939.db2.gz UWIHJPNNDZYXSP-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000565174398 322064942 /nfs/dbraw/zinc/06/49/42/322064942.db2.gz UWIHJPNNDZYXSP-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000565391532 322075712 /nfs/dbraw/zinc/07/57/12/322075712.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000565391532 322075715 /nfs/dbraw/zinc/07/57/15/322075715.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(F)c(F)c2)CC[NH+]1C ZINC000565391532 322075717 /nfs/dbraw/zinc/07/57/17/322075717.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CC[NH+]1C ZINC000565391532 322075719 /nfs/dbraw/zinc/07/57/19/322075719.db2.gz YAYYDZYPIYUSQM-HAAFXLEYSA-N 2 2 294.389 3.393 20 0 CGADLP CCC1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000566611874 322131380 /nfs/dbraw/zinc/13/13/80/322131380.db2.gz WECADRGLSDJEAC-IIIMJFFVSA-N 2 2 272.436 3.429 20 0 CGADLP CCC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000566611874 322131382 /nfs/dbraw/zinc/13/13/82/322131382.db2.gz WECADRGLSDJEAC-IIIMJFFVSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)n1C ZINC000566690355 322134907 /nfs/dbraw/zinc/13/49/07/322134907.db2.gz NUQYYAHIZFMIPS-MRXNPFEDSA-N 2 2 291.345 3.174 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942881 322144160 /nfs/dbraw/zinc/14/41/60/322144160.db2.gz RPLUZPNJPYRIDU-GXTWGEPZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942881 322144161 /nfs/dbraw/zinc/14/41/61/322144161.db2.gz RPLUZPNJPYRIDU-GXTWGEPZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942881 322144164 /nfs/dbraw/zinc/14/41/64/322144164.db2.gz RPLUZPNJPYRIDU-GXTWGEPZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942881 322144166 /nfs/dbraw/zinc/14/41/66/322144166.db2.gz RPLUZPNJPYRIDU-GXTWGEPZSA-N 2 2 295.496 3.213 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000567854051 322180276 /nfs/dbraw/zinc/18/02/76/322180276.db2.gz XSJLVTVKLQTNSR-YPMHNXCESA-N 2 2 296.352 3.274 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000568736790 322220158 /nfs/dbraw/zinc/22/01/58/322220158.db2.gz APGDFSSQQUZIRI-PWUWZPNHSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000568736790 322220161 /nfs/dbraw/zinc/22/01/61/322220161.db2.gz APGDFSSQQUZIRI-PWUWZPNHSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[NH+](C)C)C2CCCC2)cc1 ZINC000568916194 322227633 /nfs/dbraw/zinc/22/76/33/322227633.db2.gz ISSNSIXZSZVSAA-QGZVFWFLSA-N 2 2 260.425 3.378 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)c2ccccc2)n1C ZINC000569941125 322260978 /nfs/dbraw/zinc/26/09/78/322260978.db2.gz JVSCKESPRYFBFF-CYBMUJFWSA-N 2 2 257.381 3.012 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000570293871 322270086 /nfs/dbraw/zinc/27/00/86/322270086.db2.gz RMLJESMSIBJISU-DLBZAZTESA-N 2 2 283.419 3.230 20 0 CGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000571156513 322291437 /nfs/dbraw/zinc/29/14/37/322291437.db2.gz MHONYQMNOMPZLU-ZDUSSCGKSA-N 2 2 289.448 3.460 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278800 322329114 /nfs/dbraw/zinc/32/91/14/322329114.db2.gz CNKCVCVBPZVUDG-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278800 322329116 /nfs/dbraw/zinc/32/91/16/322329116.db2.gz CNKCVCVBPZVUDG-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502697 322390838 /nfs/dbraw/zinc/39/08/38/322390838.db2.gz CLNYGNGYYLAXSZ-ZDUSSCGKSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502697 322390842 /nfs/dbraw/zinc/39/08/42/322390842.db2.gz CLNYGNGYYLAXSZ-ZDUSSCGKSA-N 2 2 289.810 3.371 20 0 CGADLP C(C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586061 322395461 /nfs/dbraw/zinc/39/54/61/322395461.db2.gz HXAATGSTJADTAH-MSOLQXFVSA-N 2 2 294.483 3.332 20 0 CGADLP C(C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586061 322395464 /nfs/dbraw/zinc/39/54/64/322395464.db2.gz HXAATGSTJADTAH-MSOLQXFVSA-N 2 2 294.483 3.332 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000582178189 328613407 /nfs/dbraw/zinc/61/34/07/328613407.db2.gz OCIGASODEDNRIE-MRXNPFEDSA-N 2 2 295.430 3.465 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000583687543 328975673 /nfs/dbraw/zinc/97/56/73/328975673.db2.gz PUWGPHSGDDUXET-GDBMZVCRSA-N 2 2 288.439 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491451 329097690 /nfs/dbraw/zinc/09/76/90/329097690.db2.gz ATHHFDDBYLKTRY-WCZJQEMASA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491451 329097692 /nfs/dbraw/zinc/09/76/92/329097692.db2.gz ATHHFDDBYLKTRY-WCZJQEMASA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491448 329097703 /nfs/dbraw/zinc/09/77/03/329097703.db2.gz ATHHFDDBYLKTRY-IKICRFKJSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491448 329097704 /nfs/dbraw/zinc/09/77/04/329097704.db2.gz ATHHFDDBYLKTRY-IKICRFKJSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2o1 ZINC000582540456 329108937 /nfs/dbraw/zinc/10/89/37/329108937.db2.gz IRMVPYJUPFHQMV-KDOFPFPSSA-N 2 2 294.398 3.481 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000397543130 329372255 /nfs/dbraw/zinc/37/22/55/329372255.db2.gz YAVQZKZMZULRCN-UHFFFAOYSA-N 2 2 270.420 3.347 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1sccc1Br ZINC000583257772 329403397 /nfs/dbraw/zinc/40/33/97/329403397.db2.gz ZVDVOKFYJNBLRK-QMMMGPOBSA-N 2 2 289.242 3.043 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000580445155 330139386 /nfs/dbraw/zinc/13/93/86/330139386.db2.gz LABQINBRHDDALG-MRXNPFEDSA-N 2 2 287.432 3.272 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000576088529 335151459 /nfs/dbraw/zinc/15/14/59/335151459.db2.gz YICUFBVXFZYKSP-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000576088529 335151461 /nfs/dbraw/zinc/15/14/61/335151461.db2.gz YICUFBVXFZYKSP-MRXNPFEDSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670045 335233003 /nfs/dbraw/zinc/23/30/03/335233003.db2.gz MOGBKLYOOLPRLX-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670045 335233004 /nfs/dbraw/zinc/23/30/04/335233004.db2.gz MOGBKLYOOLPRLX-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670045 335233006 /nfs/dbraw/zinc/23/30/06/335233006.db2.gz MOGBKLYOOLPRLX-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670045 335233008 /nfs/dbraw/zinc/23/30/08/335233008.db2.gz MOGBKLYOOLPRLX-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000576805414 335249540 /nfs/dbraw/zinc/24/95/40/335249540.db2.gz WSKAFUQBVXRQOU-AVGNSLFASA-N 2 2 295.496 3.479 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840056 335254673 /nfs/dbraw/zinc/25/46/73/335254673.db2.gz JZKOJQIQQCPGLQ-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840056 335254675 /nfs/dbraw/zinc/25/46/75/335254675.db2.gz JZKOJQIQQCPGLQ-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840056 335254676 /nfs/dbraw/zinc/25/46/76/335254676.db2.gz JZKOJQIQQCPGLQ-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840056 335254677 /nfs/dbraw/zinc/25/46/77/335254677.db2.gz JZKOJQIQQCPGLQ-ROUUACIJSA-N 2 2 290.426 3.432 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCC12CC2 ZINC000580581843 335290856 /nfs/dbraw/zinc/29/08/56/335290856.db2.gz LSGKMYXGBXJXOI-MRXNPFEDSA-N 2 2 269.392 3.267 20 0 CGADLP Cc1[nH]c(CNc2cccc(CC[NH+]3CCCC3)c2)[nH+]c1C ZINC000577747340 335396485 /nfs/dbraw/zinc/39/64/85/335396485.db2.gz WHHDFMJRNDFOCU-UHFFFAOYSA-N 2 2 298.434 3.277 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000181568924 335771132 /nfs/dbraw/zinc/77/11/32/335771132.db2.gz XNKNNBRRKOHTGQ-IRXDYDNUSA-N 2 2 299.418 3.166 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000381725611 336071961 /nfs/dbraw/zinc/07/19/61/336071961.db2.gz KHHLLTTUSALPEI-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000381725611 336071963 /nfs/dbraw/zinc/07/19/63/336071963.db2.gz KHHLLTTUSALPEI-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382134480 336082502 /nfs/dbraw/zinc/08/25/02/336082502.db2.gz MZMYVZFDZLRWED-ABMGTYSLSA-N 2 2 276.468 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382134480 336082504 /nfs/dbraw/zinc/08/25/04/336082504.db2.gz MZMYVZFDZLRWED-ABMGTYSLSA-N 2 2 276.468 3.416 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+](C)CCC[NH+](C)C ZINC000581693627 336128745 /nfs/dbraw/zinc/12/87/45/336128745.db2.gz HNKHJWPIHNEANV-UHFFFAOYSA-N 2 2 268.832 3.286 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+](C)CCC[NH+](C)C ZINC000581693627 336128746 /nfs/dbraw/zinc/12/87/46/336128746.db2.gz HNKHJWPIHNEANV-UHFFFAOYSA-N 2 2 268.832 3.286 20 0 CGADLP COc1cccc2c(N[C@@H]3CCC[N@H+](C)[C@@H]3C)cc[nH+]c12 ZINC000436444010 533847659 /nfs/dbraw/zinc/84/76/59/533847659.db2.gz YDSAIMJTKKHHNM-TZMCWYRMSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)cc[nH+]c12 ZINC000436444010 533847664 /nfs/dbraw/zinc/84/76/64/533847664.db2.gz YDSAIMJTKKHHNM-TZMCWYRMSA-N 2 2 285.391 3.138 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423234005 533896710 /nfs/dbraw/zinc/89/67/10/533896710.db2.gz FHGBUZOZFIUBIM-ZBEGNZNMSA-N 2 2 276.330 3.315 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@H]3C)oc21 ZINC000423371861 533911801 /nfs/dbraw/zinc/91/18/01/533911801.db2.gz VICSOZSYYIJQFT-DYEKYZERSA-N 2 2 288.391 3.090 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000421825021 533963940 /nfs/dbraw/zinc/96/39/40/533963940.db2.gz LIFXWMYMFZPHKM-VXGBXAGGSA-N 2 2 284.831 3.339 20 0 CGADLP C[C@@H]1CC[N@H+](CCSC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000369206934 534035165 /nfs/dbraw/zinc/03/51/65/534035165.db2.gz OKAPYWWLSOPJHL-KGLIPLIRSA-N 2 2 281.469 3.298 20 0 CGADLP C[C@@H]1CC[N@@H+](CCSC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000369206934 534035169 /nfs/dbraw/zinc/03/51/69/534035169.db2.gz OKAPYWWLSOPJHL-KGLIPLIRSA-N 2 2 281.469 3.298 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)o1 ZINC000423391407 534226093 /nfs/dbraw/zinc/22/60/93/534226093.db2.gz PJEOKKWHLDCYJF-GXTWGEPZSA-N 2 2 250.386 3.017 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000149831761 520396090 /nfs/dbraw/zinc/39/60/90/520396090.db2.gz AWLQDXIIIZEDQP-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000149831761 520396103 /nfs/dbraw/zinc/39/61/03/520396103.db2.gz AWLQDXIIIZEDQP-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1 ZINC000184969366 521158622 /nfs/dbraw/zinc/15/86/22/521158622.db2.gz JFPWCBHFVBMBKX-KRWDZBQOSA-N 2 2 294.402 3.403 20 0 CGADLP Cc1cnc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000449109219 534555686 /nfs/dbraw/zinc/55/56/86/534555686.db2.gz XJCVCHOTQDDVOE-UHFFFAOYSA-N 2 2 293.480 3.196 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000414358125 534574396 /nfs/dbraw/zinc/57/43/96/534574396.db2.gz FQUHVTBTHQXAQA-CQSZACIVSA-N 2 2 299.418 3.298 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000290015925 521582473 /nfs/dbraw/zinc/58/24/73/521582473.db2.gz BXZIZXXZVFIANB-MRXNPFEDSA-N 2 2 296.842 3.101 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000337879433 521642794 /nfs/dbraw/zinc/64/27/94/521642794.db2.gz QOGNXMYFZNTWQI-LZWOXQAQSA-N 2 2 276.424 3.225 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000337879433 521642797 /nfs/dbraw/zinc/64/27/97/521642797.db2.gz QOGNXMYFZNTWQI-LZWOXQAQSA-N 2 2 276.424 3.225 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449063898 534690759 /nfs/dbraw/zinc/69/07/59/534690759.db2.gz RSVMAVHOGCEAJR-CYBMUJFWSA-N 2 2 283.375 3.159 20 0 CGADLP Cc1cccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000449014919 534692151 /nfs/dbraw/zinc/69/21/51/534692151.db2.gz AWBUIFISLSGTAH-UHFFFAOYSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc(C)c(C[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000049256695 524098110 /nfs/dbraw/zinc/09/81/10/524098110.db2.gz CTKCXACZWMBYKQ-UHFFFAOYSA-N 2 2 268.404 3.264 20 0 CGADLP Cc1ccc(C)c(C[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000049256695 524098122 /nfs/dbraw/zinc/09/81/22/524098122.db2.gz CTKCXACZWMBYKQ-UHFFFAOYSA-N 2 2 268.404 3.264 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1Br ZINC000163907178 524608826 /nfs/dbraw/zinc/60/88/26/524608826.db2.gz HPVIXDWSASGTEC-NSHDSACASA-N 2 2 298.228 3.130 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000151014392 527448810 /nfs/dbraw/zinc/44/88/10/527448810.db2.gz MPUCGBBLJCFUPM-OAHLLOKOSA-N 2 2 299.422 3.082 20 0 CGADLP CCC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000084051214 527747974 /nfs/dbraw/zinc/74/79/74/527747974.db2.gz VFGBWAHXUKPSIZ-UHFFFAOYSA-N 2 2 269.392 3.461 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230830 527758553 /nfs/dbraw/zinc/75/85/53/527758553.db2.gz SSVHOJORMTXASH-DZGCQCFKSA-N 2 2 293.455 3.411 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230830 527758559 /nfs/dbraw/zinc/75/85/59/527758559.db2.gz SSVHOJORMTXASH-DZGCQCFKSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230830 527758564 /nfs/dbraw/zinc/75/85/64/527758564.db2.gz SSVHOJORMTXASH-DZGCQCFKSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230830 527758567 /nfs/dbraw/zinc/75/85/67/527758567.db2.gz SSVHOJORMTXASH-DZGCQCFKSA-N 2 2 293.455 3.411 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252773 527847227 /nfs/dbraw/zinc/84/72/27/527847227.db2.gz UPZWTHAECQFYTF-SJORKVTESA-N 2 2 260.425 3.491 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000368099563 527875964 /nfs/dbraw/zinc/87/59/64/527875964.db2.gz GBSDMVOBYPSKRB-RLFYNMQTSA-N 2 2 295.430 3.439 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000368099563 527875971 /nfs/dbraw/zinc/87/59/71/527875971.db2.gz GBSDMVOBYPSKRB-RLFYNMQTSA-N 2 2 295.430 3.439 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccccc1 ZINC000177318084 527898557 /nfs/dbraw/zinc/89/85/57/527898557.db2.gz LDFHCPJFHLCCGP-NXHRZFHOSA-N 2 2 272.436 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccccc1 ZINC000177318084 527898563 /nfs/dbraw/zinc/89/85/63/527898563.db2.gz LDFHCPJFHLCCGP-NXHRZFHOSA-N 2 2 272.436 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)c1ccccc1 ZINC000177318084 527898572 /nfs/dbraw/zinc/89/85/72/527898572.db2.gz LDFHCPJFHLCCGP-NXHRZFHOSA-N 2 2 272.436 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)c1ccccc1 ZINC000177318084 527898576 /nfs/dbraw/zinc/89/85/76/527898576.db2.gz LDFHCPJFHLCCGP-NXHRZFHOSA-N 2 2 272.436 3.349 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197025 527933575 /nfs/dbraw/zinc/93/35/75/527933575.db2.gz PBGKQRWDJLNLPI-JMSVASOKSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197025 527933577 /nfs/dbraw/zinc/93/35/77/527933577.db2.gz PBGKQRWDJLNLPI-JMSVASOKSA-N 2 2 266.816 3.331 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449340830 528184973 /nfs/dbraw/zinc/18/49/73/528184973.db2.gz XNPZINCJWKCHNG-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449340830 528184975 /nfs/dbraw/zinc/18/49/75/528184975.db2.gz XNPZINCJWKCHNG-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414871828 528236672 /nfs/dbraw/zinc/23/66/72/528236672.db2.gz VPZFBKCBORGXLT-INIZCTEOSA-N 2 2 276.424 3.097 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423251764 528333312 /nfs/dbraw/zinc/33/33/12/528333312.db2.gz WSMFKEBIPCUNSF-ZDUSSCGKSA-N 2 2 285.229 3.099 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000423238946 528333337 /nfs/dbraw/zinc/33/33/37/528333337.db2.gz GBCCSDOFVBZQQH-CQSZACIVSA-N 2 2 272.795 3.375 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000423240493 528334181 /nfs/dbraw/zinc/33/41/81/528334181.db2.gz HENMGZYEQQPOQC-GOSISDBHSA-N 2 2 286.419 3.499 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423252723 528334414 /nfs/dbraw/zinc/33/44/14/528334414.db2.gz YCCPFGHTDHRDIX-INIZCTEOSA-N 2 2 260.381 3.329 20 0 CGADLP CC(C)c1nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000439132762 528363296 /nfs/dbraw/zinc/36/32/96/528363296.db2.gz YNYBZQPJVZVCPW-WMLDXEAASA-N 2 2 298.434 3.125 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423386973 528421916 /nfs/dbraw/zinc/42/19/16/528421916.db2.gz SFTKEZFLVREWRE-FRRDWIJNSA-N 2 2 291.464 3.376 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000423383947 528422812 /nfs/dbraw/zinc/42/28/12/528422812.db2.gz PMXMCHYTKMSMLJ-CHWSQXEVSA-N 2 2 290.407 3.480 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423382351 528423630 /nfs/dbraw/zinc/42/36/30/528423630.db2.gz OKDUYSKVOVOQTB-ZIAGYGMSSA-N 2 2 256.393 3.488 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000423309768 528512213 /nfs/dbraw/zinc/51/22/13/528512213.db2.gz LYSIGXRJPMWSRS-AWEZNQCLSA-N 2 2 284.831 3.389 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1SC ZINC000423308006 528515900 /nfs/dbraw/zinc/51/59/00/528515900.db2.gz IMXXOKBQQZBZGL-GFCCVEGCSA-N 2 2 252.427 3.059 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423272935 528519403 /nfs/dbraw/zinc/51/94/03/528519403.db2.gz ZRNOAGPHMQGBCB-MWLCHTKSSA-N 2 2 260.834 3.426 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000426414944 528666906 /nfs/dbraw/zinc/66/69/06/528666906.db2.gz XTBSOOJUZFPJNU-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000426414944 528666911 /nfs/dbraw/zinc/66/69/11/528666911.db2.gz XTBSOOJUZFPJNU-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000426414944 528666920 /nfs/dbraw/zinc/66/69/20/528666920.db2.gz XTBSOOJUZFPJNU-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000426414944 528666926 /nfs/dbraw/zinc/66/69/26/528666926.db2.gz XTBSOOJUZFPJNU-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc21 ZINC000423281103 528699813 /nfs/dbraw/zinc/69/98/13/528699813.db2.gz UUDSGCFVOVYVMY-OCCSQVGLSA-N 2 2 290.407 3.465 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000428245609 528718185 /nfs/dbraw/zinc/71/81/85/528718185.db2.gz ZXRBKUQCWDKWGA-ZFWWWQNUSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000428245609 528718191 /nfs/dbraw/zinc/71/81/91/528718191.db2.gz ZXRBKUQCWDKWGA-ZFWWWQNUSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000428245609 528718194 /nfs/dbraw/zinc/71/81/94/528718194.db2.gz ZXRBKUQCWDKWGA-ZFWWWQNUSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000428245609 528718198 /nfs/dbraw/zinc/71/81/98/528718198.db2.gz ZXRBKUQCWDKWGA-ZFWWWQNUSA-N 2 2 293.455 3.240 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000357776214 528817795 /nfs/dbraw/zinc/81/77/95/528817795.db2.gz ABNYTHQYELTXKL-ZDUSSCGKSA-N 2 2 295.496 3.403 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000357776214 528817799 /nfs/dbraw/zinc/81/77/99/528817799.db2.gz ABNYTHQYELTXKL-ZDUSSCGKSA-N 2 2 295.496 3.403 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1F ZINC000423298065 528823126 /nfs/dbraw/zinc/82/31/26/528823126.db2.gz MZBMCIUSJVXGAZ-SWLSCSKDSA-N 2 2 252.377 3.384 20 0 CGADLP CCOC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152979302 528885227 /nfs/dbraw/zinc/88/52/27/528885227.db2.gz RVDNJMODMXYNNJ-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152979302 528885234 /nfs/dbraw/zinc/88/52/34/528885234.db2.gz RVDNJMODMXYNNJ-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423293276 528951390 /nfs/dbraw/zinc/95/13/90/528951390.db2.gz QQNZYAXFOAEMGF-CQSZACIVSA-N 2 2 278.444 3.138 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423391008 528952881 /nfs/dbraw/zinc/95/28/81/528952881.db2.gz OYGRNAZPBHIUME-HOTGVXAUSA-N 2 2 291.414 3.040 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414819495 528953852 /nfs/dbraw/zinc/95/38/52/528953852.db2.gz YXDSAYKJKVMMSN-CQSZACIVSA-N 2 2 289.448 3.417 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414805284 528954699 /nfs/dbraw/zinc/95/46/99/528954699.db2.gz AKJVPDGDBPJLSK-CYBMUJFWSA-N 2 2 281.469 3.408 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423295552 528955810 /nfs/dbraw/zinc/95/58/10/528955810.db2.gz FDBOHIKOSPELDD-NWDGAFQWSA-N 2 2 268.376 3.002 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423303152 528957537 /nfs/dbraw/zinc/95/75/37/528957537.db2.gz WPJVLSMADAHUQR-GDBMZVCRSA-N 3 2 286.423 3.040 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303152 528957541 /nfs/dbraw/zinc/95/75/41/528957541.db2.gz WPJVLSMADAHUQR-GDBMZVCRSA-N 2 2 286.423 3.040 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2oc(C(C)C)nc2C)CC1 ZINC000428217871 528973273 /nfs/dbraw/zinc/97/32/73/528973273.db2.gz LBSXJHJPHSMICL-UHFFFAOYSA-N 2 2 279.428 3.023 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2oc(C(C)C)nc2C)CC1 ZINC000428217871 528973278 /nfs/dbraw/zinc/97/32/78/528973278.db2.gz LBSXJHJPHSMICL-UHFFFAOYSA-N 2 2 279.428 3.023 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423273075 529071765 /nfs/dbraw/zinc/07/17/65/529071765.db2.gz KIGDGMWOAXXZRO-TZMCWYRMSA-N 2 2 289.448 3.444 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC1(C)C ZINC000414069042 529170877 /nfs/dbraw/zinc/17/08/77/529170877.db2.gz RFLKPTOLCSHJCR-LSDHHAIUSA-N 2 2 271.408 3.291 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000368002800 529203600 /nfs/dbraw/zinc/20/36/00/529203600.db2.gz YJHDJFSLTFABHG-BXUZGUMPSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1F ZINC000368002800 529203601 /nfs/dbraw/zinc/20/36/01/529203601.db2.gz YJHDJFSLTFABHG-BXUZGUMPSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cc(F)ccc1F ZINC000423266024 529206310 /nfs/dbraw/zinc/20/63/10/529206310.db2.gz ROURLNHDRABSDO-SWLSCSKDSA-N 2 2 270.367 3.379 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423241708 529246668 /nfs/dbraw/zinc/24/66/68/529246668.db2.gz VGJJVBRVVUFQEY-TZMCWYRMSA-N 2 2 264.438 3.201 20 0 CGADLP Cc1nc(NCCCCCCC[NH+]2CCCC2)cc[nH+]1 ZINC000742395691 572576108 /nfs/dbraw/zinc/57/61/08/572576108.db2.gz FJOGJHDTJWQCQD-UHFFFAOYSA-N 2 2 276.428 3.243 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000746601209 572884408 /nfs/dbraw/zinc/88/44/08/572884408.db2.gz WQIAZYZCMZTAPT-ZDUSSCGKSA-N 2 2 298.434 3.428 20 0 CGADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857948 618151536 /nfs/dbraw/zinc/15/15/36/618151536.db2.gz XMTWIUMAQDITBF-KBXCAEBGSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857948 618151539 /nfs/dbraw/zinc/15/15/39/618151539.db2.gz XMTWIUMAQDITBF-KBXCAEBGSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1CSCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934300596 618583872 /nfs/dbraw/zinc/58/38/72/618583872.db2.gz KKPATMNMPFSUJM-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@@H]1CSCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934300596 618583875 /nfs/dbraw/zinc/58/38/75/618583875.db2.gz KKPATMNMPFSUJM-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CC(Sc3ccccc3)C1)C2 ZINC000926450409 618687530 /nfs/dbraw/zinc/68/75/30/618687530.db2.gz MJALHRSILGWAOV-OPFPJEHXSA-N 2 2 299.443 3.180 20 0 CGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000252958749 618747717 /nfs/dbraw/zinc/74/77/17/618747717.db2.gz LMDAVKQYZFCVDW-HYVNUMGLSA-N 2 2 290.451 3.130 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892568334 618864310 /nfs/dbraw/zinc/86/43/10/618864310.db2.gz YOPAKZIACXSSBP-LBPRGKRZSA-N 2 2 275.396 3.260 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC(F)(F)C1 ZINC000926841615 618928658 /nfs/dbraw/zinc/92/86/58/618928658.db2.gz KNKRYJXGTPBLMX-QWHCGFSZSA-N 2 2 272.383 3.028 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC(F)(F)C1 ZINC000926841615 618928661 /nfs/dbraw/zinc/92/86/61/618928661.db2.gz KNKRYJXGTPBLMX-QWHCGFSZSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000925507508 618998562 /nfs/dbraw/zinc/99/85/62/618998562.db2.gz AAIVMZIJCPFROJ-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1 ZINC000925679006 619128061 /nfs/dbraw/zinc/12/80/61/619128061.db2.gz HBTGIVYUFOSJBE-RHSMWYFYSA-N 2 2 283.419 3.037 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1 ZINC000925690737 619140105 /nfs/dbraw/zinc/14/01/05/619140105.db2.gz GKKKTFQPRDUPBH-PWUKJLEFSA-N 2 2 284.378 3.360 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349843 619150820 /nfs/dbraw/zinc/15/08/20/619150820.db2.gz NKYHHSCLWDYXJP-ZDUSSCGKSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094369973 619244862 /nfs/dbraw/zinc/24/48/62/619244862.db2.gz DXWKVEAVVOSIFU-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000317541825 619250382 /nfs/dbraw/zinc/25/03/82/619250382.db2.gz WRYJHVQHHYYLOA-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000317541825 619250383 /nfs/dbraw/zinc/25/03/83/619250383.db2.gz WRYJHVQHHYYLOA-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000261697928 619356004 /nfs/dbraw/zinc/35/60/04/619356004.db2.gz LIIPODDJESOMNJ-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000261697928 619356009 /nfs/dbraw/zinc/35/60/09/619356009.db2.gz LIIPODDJESOMNJ-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925001700 619484761 /nfs/dbraw/zinc/48/47/61/619484761.db2.gz PITAGPYNDTUFIC-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CC1CC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110838 619733821 /nfs/dbraw/zinc/73/38/21/619733821.db2.gz ZMHKCRHUQJMRBK-FVQBIDKESA-N 2 2 273.424 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CC3(CCC3)C2)CC1 ZINC000895111492 619734670 /nfs/dbraw/zinc/73/46/70/619734670.db2.gz GMUMWGPYFYYSPQ-SHTZXODSSA-N 2 2 285.435 3.491 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]2C2CC2)CC1 ZINC000895113226 619736210 /nfs/dbraw/zinc/73/62/10/619736210.db2.gz VJPCNVOPMJGAOB-QAETUUGQSA-N 2 2 285.435 3.347 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000895376535 619815711 /nfs/dbraw/zinc/81/57/11/619815711.db2.gz COJIDYJMEFKEPE-CZUORRHYSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000895376535 619815713 /nfs/dbraw/zinc/81/57/13/619815713.db2.gz COJIDYJMEFKEPE-CZUORRHYSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000895379533 619816528 /nfs/dbraw/zinc/81/65/28/619816528.db2.gz LXGRRGSXVOQRSG-CXAGYDPISA-N 2 2 291.439 3.104 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000895379533 619816530 /nfs/dbraw/zinc/81/65/30/619816530.db2.gz LXGRRGSXVOQRSG-CXAGYDPISA-N 2 2 291.439 3.104 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)co2)cc1 ZINC000262500116 620178808 /nfs/dbraw/zinc/17/88/08/620178808.db2.gz LYQYDIGZYWLMRH-KRWDZBQOSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)co2)cc1 ZINC000262500116 620178809 /nfs/dbraw/zinc/17/88/09/620178809.db2.gz LYQYDIGZYWLMRH-KRWDZBQOSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)co2)cc1 ZINC000262583705 620223121 /nfs/dbraw/zinc/22/31/21/620223121.db2.gz ZJISOHXAXUSEEJ-HOCLYGCPSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)co2)cc1 ZINC000262583705 620223123 /nfs/dbraw/zinc/22/31/23/620223123.db2.gz ZJISOHXAXUSEEJ-HOCLYGCPSA-N 2 2 299.418 3.067 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000898034912 620470439 /nfs/dbraw/zinc/47/04/39/620470439.db2.gz BQSZKQZZWVPGLT-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000898034912 620470446 /nfs/dbraw/zinc/47/04/46/620470446.db2.gz BQSZKQZZWVPGLT-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924682676 620561525 /nfs/dbraw/zinc/56/15/25/620561525.db2.gz CZPSPEVHQRGZRG-MCIONIFRSA-N 2 2 293.455 3.310 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431503 621316131 /nfs/dbraw/zinc/31/61/31/621316131.db2.gz FPXTZKLYSYZFJH-QKPAOTATSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC000902437229 621318911 /nfs/dbraw/zinc/31/89/11/621318911.db2.gz HMJLYIKFNUEBIA-COLVAYQJSA-N 2 2 258.390 3.023 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc12 ZINC000902473146 621324411 /nfs/dbraw/zinc/32/44/11/621324411.db2.gz SHVBDAUIGJPAJV-COCCGSRQSA-N 2 2 296.414 3.392 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474605 621325218 /nfs/dbraw/zinc/32/52/18/621325218.db2.gz GDSCPCMQIZAXTQ-DMVVEVTLSA-N 2 2 256.393 3.026 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000902483274 621352723 /nfs/dbraw/zinc/35/27/23/621352723.db2.gz QLQOJOBHLJTGPO-RDJZCZTQSA-N 2 2 298.434 3.055 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902827073 621459011 /nfs/dbraw/zinc/45/90/11/621459011.db2.gz VRKVIDHFXIFLBY-NJAFHUGGSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902827073 621459019 /nfs/dbraw/zinc/45/90/19/621459019.db2.gz VRKVIDHFXIFLBY-NJAFHUGGSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841772 621470535 /nfs/dbraw/zinc/47/05/35/621470535.db2.gz SADVRQFGPBOFNW-BZUAXINKSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903055822 621545547 /nfs/dbraw/zinc/54/55/47/621545547.db2.gz CMLHGZBYWPTTAE-GDBMZVCRSA-N 2 2 299.418 3.338 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000903103586 621575758 /nfs/dbraw/zinc/57/57/58/621575758.db2.gz KIQUIMHLKZCABB-XMTFNYHQSA-N 2 2 295.430 3.482 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCS1 ZINC000903284086 621651400 /nfs/dbraw/zinc/65/14/00/621651400.db2.gz VNWMOVVHRPXPTC-KFWWJZLASA-N 2 2 282.497 3.267 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCS1 ZINC000903284086 621651402 /nfs/dbraw/zinc/65/14/02/621651402.db2.gz VNWMOVVHRPXPTC-KFWWJZLASA-N 2 2 282.497 3.267 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1Br ZINC000903768941 621803809 /nfs/dbraw/zinc/80/38/09/621803809.db2.gz VOACAQPOMOTFPG-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1Br ZINC000903768941 621803811 /nfs/dbraw/zinc/80/38/11/621803811.db2.gz VOACAQPOMOTFPG-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903879119 621825313 /nfs/dbraw/zinc/82/53/13/621825313.db2.gz SPVMIUNGPJDDRZ-CMPLNLGQSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903879119 621825314 /nfs/dbraw/zinc/82/53/14/621825314.db2.gz SPVMIUNGPJDDRZ-CMPLNLGQSA-N 2 2 282.334 3.408 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]([NH3+])CC(F)F ZINC000903883566 621825911 /nfs/dbraw/zinc/82/59/11/621825911.db2.gz JDAKTYCJANSACI-LBPRGKRZSA-N 2 2 276.758 3.144 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]([NH3+])CC(F)F ZINC000903883566 621825913 /nfs/dbraw/zinc/82/59/13/621825913.db2.gz JDAKTYCJANSACI-LBPRGKRZSA-N 2 2 276.758 3.144 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000903948377 621840404 /nfs/dbraw/zinc/84/04/04/621840404.db2.gz OVXVXJQGLFUDDU-NQZOLGFYSA-N 2 2 276.399 3.132 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)onc1C1CC1 ZINC000903953633 621842470 /nfs/dbraw/zinc/84/24/70/621842470.db2.gz HRZSYRVFJRUZTD-NVXWUHKLSA-N 2 2 297.402 3.135 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000904340880 621909446 /nfs/dbraw/zinc/90/94/46/621909446.db2.gz MTULZNQDFDOCSU-HOTGVXAUSA-N 2 2 282.472 3.031 20 0 CGADLP Cc1csc([C@H]2CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384854 621916512 /nfs/dbraw/zinc/91/65/12/621916512.db2.gz ODOAOTOPODGPRP-KBPBESRZSA-N 2 2 295.496 3.394 20 0 CGADLP Cc1csc([C@H]2CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384854 621916515 /nfs/dbraw/zinc/91/65/15/621916515.db2.gz ODOAOTOPODGPRP-KBPBESRZSA-N 2 2 295.496 3.394 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc2cccnc12 ZINC000904429946 621920066 /nfs/dbraw/zinc/92/00/66/621920066.db2.gz BYKOKBGZCZJGGW-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc2cccnc12 ZINC000904429946 621920073 /nfs/dbraw/zinc/92/00/73/621920073.db2.gz BYKOKBGZCZJGGW-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C(C)(C)C ZINC000904468715 621924875 /nfs/dbraw/zinc/92/48/75/621924875.db2.gz FPWAFBKUPAVIFH-RISCZKNCSA-N 2 2 285.382 3.049 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191702 623305411 /nfs/dbraw/zinc/30/54/11/623305411.db2.gz MDHZYVGLOFOHFD-SMDDNHRTSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191702 623305418 /nfs/dbraw/zinc/30/54/18/623305418.db2.gz MDHZYVGLOFOHFD-SMDDNHRTSA-N 2 2 286.341 3.407 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000917062675 624231617 /nfs/dbraw/zinc/23/16/17/624231617.db2.gz MIGDUCPQAXEXTA-LBPRGKRZSA-N 2 2 291.266 3.131 20 0 CGADLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(C)c1 ZINC000921668079 625814911 /nfs/dbraw/zinc/81/49/11/625814911.db2.gz XARKPUWJZLROGS-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000774437372 626176611 /nfs/dbraw/zinc/17/66/11/626176611.db2.gz FVZVYDZUEPYZJS-NVXWUHKLSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000774437372 626176612 /nfs/dbraw/zinc/17/66/12/626176612.db2.gz FVZVYDZUEPYZJS-NVXWUHKLSA-N 2 2 260.425 3.458 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000753771413 626465094 /nfs/dbraw/zinc/46/50/94/626465094.db2.gz UKAVNXHAUBGUAD-KBPBESRZSA-N 2 2 293.455 3.461 20 0 CGADLP C[N@H+](C/C=C\Cl)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000754350804 626568773 /nfs/dbraw/zinc/56/87/73/626568773.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 2 277.239 3.278 20 0 CGADLP C[N@@H+](C/C=C\Cl)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000754350804 626568775 /nfs/dbraw/zinc/56/87/75/626568775.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C\Cl)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000754350804 626568777 /nfs/dbraw/zinc/56/87/77/626568777.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C\Cl)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000754350804 626568778 /nfs/dbraw/zinc/56/87/78/626568778.db2.gz GDXVWMOQMVTLSQ-JVEMRRDJSA-N 2 2 277.239 3.278 20 0 CGADLP COC1(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCC1 ZINC000759969273 626933131 /nfs/dbraw/zinc/93/31/31/626933131.db2.gz IXMPYHJOUOFWRC-GJZGRUSLSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763397045 627156103 /nfs/dbraw/zinc/15/61/03/627156103.db2.gz KRPFDXIGHVCDGS-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763397045 627156106 /nfs/dbraw/zinc/15/61/06/627156106.db2.gz KRPFDXIGHVCDGS-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000764966314 627234493 /nfs/dbraw/zinc/23/44/93/627234493.db2.gz OGIDRLKKCKUCEA-IACUBPJLSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000764966314 627234494 /nfs/dbraw/zinc/23/44/94/627234494.db2.gz OGIDRLKKCKUCEA-IACUBPJLSA-N 2 2 279.815 3.012 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766271221 627310195 /nfs/dbraw/zinc/31/01/95/627310195.db2.gz SPWMPDWFZBQZNR-CABCVRRESA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766271221 627310196 /nfs/dbraw/zinc/31/01/96/627310196.db2.gz SPWMPDWFZBQZNR-CABCVRRESA-N 2 2 276.424 3.220 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1 ZINC000766275580 627310990 /nfs/dbraw/zinc/31/09/90/627310990.db2.gz XDPYLQAYUOYLGN-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1 ZINC000766275580 627310991 /nfs/dbraw/zinc/31/09/91/627310991.db2.gz XDPYLQAYUOYLGN-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)s1 ZINC000766275650 627311188 /nfs/dbraw/zinc/31/11/88/627311188.db2.gz YGTXALSMNOYDBR-WCQYABFASA-N 2 2 266.454 3.500 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)s1 ZINC000766275650 627311192 /nfs/dbraw/zinc/31/11/92/627311192.db2.gz YGTXALSMNOYDBR-WCQYABFASA-N 2 2 266.454 3.500 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000766275665 627311490 /nfs/dbraw/zinc/31/14/90/627311490.db2.gz YKDKOXRWUOQEBC-HUUCEWRRSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000766275665 627311493 /nfs/dbraw/zinc/31/14/93/627311493.db2.gz YKDKOXRWUOQEBC-HUUCEWRRSA-N 2 2 272.436 3.310 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1 ZINC000766276025 627311626 /nfs/dbraw/zinc/31/16/26/627311626.db2.gz ZZLBRONYIXSBKN-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1 ZINC000766276025 627311629 /nfs/dbraw/zinc/31/16/29/627311629.db2.gz ZZLBRONYIXSBKN-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000771388931 627706225 /nfs/dbraw/zinc/70/62/25/627706225.db2.gz PVXGEYWXTUVFAN-ZBFHGGJFSA-N 2 2 285.391 3.092 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000772997715 627839650 /nfs/dbraw/zinc/83/96/50/627839650.db2.gz DVNBSDKDXLMOCW-MRXNPFEDSA-N 2 2 299.462 3.420 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000774437370 627990144 /nfs/dbraw/zinc/99/01/44/627990144.db2.gz FVZVYDZUEPYZJS-DOTOQJQBSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000774437370 627990147 /nfs/dbraw/zinc/99/01/47/627990147.db2.gz FVZVYDZUEPYZJS-DOTOQJQBSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783637983 628734331 /nfs/dbraw/zinc/73/43/31/628734331.db2.gz XMNCWZOJWALOJD-ZENOOKHLSA-N 2 2 287.432 3.417 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000863483935 629586639 /nfs/dbraw/zinc/58/66/39/629586639.db2.gz RYBGNNDSVFPVIE-UONOGXRCSA-N 2 2 298.377 3.135 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000865399574 630102102 /nfs/dbraw/zinc/10/21/02/630102102.db2.gz RNRSKRHBJIMJML-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP c1cn(CC[NH2+]Cc2cccc(CC3CCC3)c2)c[nH+]1 ZINC000865402576 630102483 /nfs/dbraw/zinc/10/24/83/630102483.db2.gz VEQKJSMSGIFGEN-UHFFFAOYSA-N 2 2 269.392 3.016 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865403783 630105601 /nfs/dbraw/zinc/10/56/01/630105601.db2.gz PILZYSHIALWITB-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865410567 630109242 /nfs/dbraw/zinc/10/92/42/630109242.db2.gz ZNRJOFJDMUDIDH-UHFFFAOYSA-N 2 2 299.821 3.084 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878302677 635451630 /nfs/dbraw/zinc/45/16/30/635451630.db2.gz UGHLGNHXNMUUDU-SNVBAGLBSA-N 2 2 299.296 3.021 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878302677 635451633 /nfs/dbraw/zinc/45/16/33/635451633.db2.gz UGHLGNHXNMUUDU-SNVBAGLBSA-N 2 2 299.296 3.021 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000815558991 631795649 /nfs/dbraw/zinc/79/56/49/631795649.db2.gz UHSCHJJUXKOKJV-STQMWFEESA-N 2 2 261.344 3.070 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817907914 632234147 /nfs/dbraw/zinc/23/41/47/632234147.db2.gz ZDPJAARMWCJWAL-ROUUACIJSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817942355 632240590 /nfs/dbraw/zinc/24/05/90/632240590.db2.gz XZGBZTJUVHJIBF-CMPLNLGQSA-N 2 2 286.391 3.404 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC000817984122 632274822 /nfs/dbraw/zinc/27/48/22/632274822.db2.gz NPRXXAFAWJWJNL-OCCSQVGLSA-N 2 2 296.842 3.450 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000865815357 632899385 /nfs/dbraw/zinc/89/93/85/632899385.db2.gz VNZTYILSVLCKNK-KGLIPLIRSA-N 2 2 276.424 3.294 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000865815357 632899391 /nfs/dbraw/zinc/89/93/91/632899391.db2.gz VNZTYILSVLCKNK-KGLIPLIRSA-N 2 2 276.424 3.294 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822733408 633012869 /nfs/dbraw/zinc/01/28/69/633012869.db2.gz AUQWOVKKAJLUNH-NSHDSACASA-N 2 2 279.255 3.033 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000866573657 633200783 /nfs/dbraw/zinc/20/07/83/633200783.db2.gz KYZAPTUZZFJFQK-UHFFFAOYSA-N 2 2 276.424 3.294 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866697486 633232704 /nfs/dbraw/zinc/23/27/04/633232704.db2.gz QWXOPHKTDXEFQV-UHFFFAOYSA-N 2 2 275.440 3.087 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866697486 633232706 /nfs/dbraw/zinc/23/27/06/633232706.db2.gz QWXOPHKTDXEFQV-UHFFFAOYSA-N 2 2 275.440 3.087 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCC1 ZINC000830048608 633821790 /nfs/dbraw/zinc/82/17/90/633821790.db2.gz QVUSVYDYLAJZOQ-IAGOWNOFSA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CCC1 ZINC000830048608 633821792 /nfs/dbraw/zinc/82/17/92/633821792.db2.gz QVUSVYDYLAJZOQ-IAGOWNOFSA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872021704 633942598 /nfs/dbraw/zinc/94/25/98/633942598.db2.gz SPZJJGFSEKDKLB-ZDUSSCGKSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023839 633944765 /nfs/dbraw/zinc/94/47/65/633944765.db2.gz WCZJNXOBBQDFCJ-IKGGRYGDSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000872023839 633944772 /nfs/dbraw/zinc/94/47/72/633944772.db2.gz WCZJNXOBBQDFCJ-IKGGRYGDSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000872039779 633960294 /nfs/dbraw/zinc/96/02/94/633960294.db2.gz HHIWXVOHXFLYAE-RYUDHWBXSA-N 2 2 298.418 3.134 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000872039778 633960539 /nfs/dbraw/zinc/96/05/39/633960539.db2.gz HHIWXVOHXFLYAE-NWDGAFQWSA-N 2 2 298.418 3.134 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000872085676 634010747 /nfs/dbraw/zinc/01/07/47/634010747.db2.gz QIUFHLVGBJYHLE-NCOADZHNSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000872085676 634010750 /nfs/dbraw/zinc/01/07/50/634010750.db2.gz QIUFHLVGBJYHLE-NCOADZHNSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000872089608 634015839 /nfs/dbraw/zinc/01/58/39/634015839.db2.gz AUIHEFWDWKCEDW-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000872089608 634015844 /nfs/dbraw/zinc/01/58/44/634015844.db2.gz AUIHEFWDWKCEDW-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(C(F)(F)F)co1)C1CCCCC1 ZINC000872144226 634064866 /nfs/dbraw/zinc/06/48/66/634064866.db2.gz CTWJTLNHEXFXHM-CYBMUJFWSA-N 2 2 290.329 3.296 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000834522817 634175713 /nfs/dbraw/zinc/17/57/13/634175713.db2.gz LCAZTKFUKHCJLB-IAGOWNOFSA-N 2 2 289.467 3.257 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC000873148116 634258447 /nfs/dbraw/zinc/25/84/47/634258447.db2.gz HXANBBNVJGEGAO-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c2c1 ZINC000873148116 634258456 /nfs/dbraw/zinc/25/84/56/634258456.db2.gz HXANBBNVJGEGAO-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)c2)c1 ZINC000873229630 634292815 /nfs/dbraw/zinc/29/28/15/634292815.db2.gz CVFJCIAVHCQZMG-RBUKOAKNSA-N 2 2 293.414 3.123 20 0 CGADLP CC1(C)CC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)[NH2+]C1 ZINC000873236746 634296677 /nfs/dbraw/zinc/29/66/77/634296677.db2.gz JKCNRIKLAUFIRZ-IAGOWNOFSA-N 2 2 287.451 3.291 20 0 CGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620193 634869824 /nfs/dbraw/zinc/86/98/24/634869824.db2.gz KXHWQABLXAGWCK-QGZVFWFLSA-N 2 2 283.419 3.449 20 0 CGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620193 634869828 /nfs/dbraw/zinc/86/98/28/634869828.db2.gz KXHWQABLXAGWCK-QGZVFWFLSA-N 2 2 283.419 3.449 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1C ZINC000841037381 635111312 /nfs/dbraw/zinc/11/13/12/635111312.db2.gz OXDRWFQVEAVBCJ-KRWDZBQOSA-N 2 2 284.403 3.102 20 0 CGADLP CC1(C)Cc2cc(C[NH2+]C[C@@H]([NH3+])c3ccccc3)ccc2O1 ZINC000841036857 635111406 /nfs/dbraw/zinc/11/14/06/635111406.db2.gz NNYKQUKGRAKREX-QGZVFWFLSA-N 2 2 296.414 3.190 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738129 635171525 /nfs/dbraw/zinc/17/15/25/635171525.db2.gz ABCLAFLHELYEST-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738129 635171529 /nfs/dbraw/zinc/17/15/29/635171529.db2.gz ABCLAFLHELYEST-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738129 635171534 /nfs/dbraw/zinc/17/15/34/635171534.db2.gz ABCLAFLHELYEST-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738129 635171539 /nfs/dbraw/zinc/17/15/39/635171539.db2.gz ABCLAFLHELYEST-IIYDPXPESA-N 2 2 294.389 3.094 20 0 CGADLP CC1(C)CC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569626 636022944 /nfs/dbraw/zinc/02/29/44/636022944.db2.gz MWXCLSBBROHDTH-SJORKVTESA-N 2 2 299.418 3.172 20 0 CGADLP CC(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570980 636024000 /nfs/dbraw/zinc/02/40/00/636024000.db2.gz LVOICHNMYPKGQG-INIZCTEOSA-N 2 2 257.381 3.260 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128835387 636079441 /nfs/dbraw/zinc/07/94/41/636079441.db2.gz ILDZRISWZUSFBG-FUHWJXTLSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128835387 636079443 /nfs/dbraw/zinc/07/94/43/636079443.db2.gz ILDZRISWZUSFBG-FUHWJXTLSA-N 2 2 285.435 3.326 20 0 CGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000846220360 636162905 /nfs/dbraw/zinc/16/29/05/636162905.db2.gz GZSGBIFFLNKFHL-INIZCTEOSA-N 2 2 296.842 3.232 20 0 CGADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000846220360 636162907 /nfs/dbraw/zinc/16/29/07/636162907.db2.gz GZSGBIFFLNKFHL-INIZCTEOSA-N 2 2 296.842 3.232 20 0 CGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387496 636728676 /nfs/dbraw/zinc/72/86/76/636728676.db2.gz YUBJFKPENOZOOI-RYRKJORJSA-N 2 2 299.418 3.029 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386911 636729339 /nfs/dbraw/zinc/72/93/39/636729339.db2.gz OOMCOXLNRMRTAY-RDJZCZTQSA-N 2 2 287.407 3.029 20 0 CGADLP CC1(C)CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388221 636730332 /nfs/dbraw/zinc/73/03/32/636730332.db2.gz POHWJMMUUOVZRI-MRXNPFEDSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000133624167 636961564 /nfs/dbraw/zinc/96/15/64/636961564.db2.gz LMDAVKQYZFCVDW-OIISXLGYSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000222005914 637772026 /nfs/dbraw/zinc/77/20/26/637772026.db2.gz VUFQRYAWDJMQMD-OAHLLOKOSA-N 2 2 278.415 3.078 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924529330 638350868 /nfs/dbraw/zinc/35/08/68/638350868.db2.gz UYAXXFZXFIKNKN-OKZBNKHCSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924529330 638350875 /nfs/dbraw/zinc/35/08/75/638350875.db2.gz UYAXXFZXFIKNKN-OKZBNKHCSA-N 3 2 295.515 3.103 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(Cl)CC1 ZINC000924770811 638402439 /nfs/dbraw/zinc/40/24/39/638402439.db2.gz UAMKFYUMPLJXGI-GFCCVEGCSA-N 2 2 275.783 3.122 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924852025 638414125 /nfs/dbraw/zinc/41/41/25/638414125.db2.gz HDPIJEFJGXJWJL-SMDDNHRTSA-N 2 2 281.831 3.042 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(C2CCC2)c1 ZINC000925231754 638481232 /nfs/dbraw/zinc/48/12/32/638481232.db2.gz IKJHWKQINSNAOC-AWEZNQCLSA-N 2 2 299.422 3.156 20 0 CGADLP CCO[C@H](CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000925526265 638519315 /nfs/dbraw/zinc/51/93/15/638519315.db2.gz HWWBTWKPUZKVIM-UAGQMJEPSA-N 2 2 278.440 3.116 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925719052 638578900 /nfs/dbraw/zinc/57/89/00/638578900.db2.gz QHVFSDRGPHEQKX-BXUZGUMPSA-N 2 2 293.361 3.267 20 0 CGADLP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1c3ccccc3CC[C@H]1F)[NH2+]2 ZINC000925772074 638605782 /nfs/dbraw/zinc/60/57/82/638605782.db2.gz PWQMHEXKLJUFDB-KPHJNHRLSA-N 2 2 288.410 3.131 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000858220971 638659802 /nfs/dbraw/zinc/65/98/02/638659802.db2.gz VZQYRXXULIYGQG-UHFFFAOYSA-N 2 2 299.462 3.277 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451200 638772680 /nfs/dbraw/zinc/77/26/80/638772680.db2.gz XMHWQRYIRWFYIS-YNEHKIRRSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2[nH]1 ZINC000926450368 638772753 /nfs/dbraw/zinc/77/27/53/638772753.db2.gz LPNLVSVPBCSNBU-WCQYABFASA-N 2 2 280.375 3.099 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccns1 ZINC000926861825 638818604 /nfs/dbraw/zinc/81/86/04/638818604.db2.gz CCMKXVMGNWJWKN-HIFRSBDPSA-N 2 2 298.415 3.432 20 0 CGADLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000926962421 638829326 /nfs/dbraw/zinc/82/93/26/638829326.db2.gz LZGBZHBUAUHIBP-MNOVXSKESA-N 2 2 290.860 3.019 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927010626 638830918 /nfs/dbraw/zinc/83/09/18/638830918.db2.gz AUNIEWLVXHJBTM-MAUKXSAKSA-N 2 2 299.418 3.482 20 0 CGADLP C[NH+](C)C1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929263116 638913012 /nfs/dbraw/zinc/91/30/12/638913012.db2.gz NMRMQIXXYUTYNG-QGZVFWFLSA-N 2 2 294.483 3.284 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(C)n2)CC1 ZINC000929778207 638949668 /nfs/dbraw/zinc/94/96/68/638949668.db2.gz RGNHXBUVSUMBNE-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(C)n2)CC1 ZINC000929778207 638949669 /nfs/dbraw/zinc/94/96/69/638949669.db2.gz RGNHXBUVSUMBNE-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000930369089 638993425 /nfs/dbraw/zinc/99/34/25/638993425.db2.gz XYBCEOMBRKGGHM-NEPJUHHUSA-N 2 2 288.222 3.042 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(C)[nH+]1 ZINC000930369089 638993427 /nfs/dbraw/zinc/99/34/27/638993427.db2.gz XYBCEOMBRKGGHM-NEPJUHHUSA-N 2 2 288.222 3.042 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccns1 ZINC000860057780 639275371 /nfs/dbraw/zinc/27/53/71/639275371.db2.gz ALUUOEWRLPXIFF-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251617956 640829659 /nfs/dbraw/zinc/82/96/59/640829659.db2.gz DTSGBHYLMABGGT-BXUZGUMPSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251617956 640829663 /nfs/dbraw/zinc/82/96/63/640829663.db2.gz DTSGBHYLMABGGT-BXUZGUMPSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000252429096 640845219 /nfs/dbraw/zinc/84/52/19/640845219.db2.gz PLZQIKHUYSIJMG-RBSFLKMASA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415133996 640858940 /nfs/dbraw/zinc/85/89/40/640858940.db2.gz DDZGOUMJHJXENY-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415133996 640858943 /nfs/dbraw/zinc/85/89/43/640858943.db2.gz DDZGOUMJHJXENY-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]c1 ZINC001164774082 721290465 /nfs/dbraw/zinc/29/04/65/721290465.db2.gz WQAQPGDZOIYUCZ-UHFFFAOYSA-N 2 2 285.435 3.127 20 0 CGADLP CC(C)c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]c1 ZINC001164774082 721290468 /nfs/dbraw/zinc/29/04/68/721290468.db2.gz WQAQPGDZOIYUCZ-UHFFFAOYSA-N 2 2 285.435 3.127 20 0 CGADLP Cc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)cc(C(C)C)[nH+]1 ZINC001155559451 805592066 /nfs/dbraw/zinc/59/20/66/805592066.db2.gz OQDPWUJZESONHE-CYBMUJFWSA-N 2 2 288.420 3.226 20 0 CGADLP Cc1c(F)cc[nH+]c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001156399454 805683173 /nfs/dbraw/zinc/68/31/73/805683173.db2.gz XXJWHSCXBYQOCY-UHFFFAOYSA-N 2 2 285.366 3.073 20 0 CGADLP CCC[N@H+]1C[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]2C1 ZINC001157700127 805854104 /nfs/dbraw/zinc/85/41/04/805854104.db2.gz OCKXIIVQNZGQGN-GASCZTMLSA-N 2 2 287.451 3.157 20 0 CGADLP CCC[N@@H+]1C[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]2C1 ZINC001157700127 805854115 /nfs/dbraw/zinc/85/41/15/805854115.db2.gz OCKXIIVQNZGQGN-GASCZTMLSA-N 2 2 287.451 3.157 20 0 CGADLP Cc1c[nH+]ccc1N1CCN(c2ccc(C(C)C)c[nH+]2)CC1 ZINC001158105859 805921408 /nfs/dbraw/zinc/92/14/08/805921408.db2.gz LBJXYKAWCPAYAC-UHFFFAOYSA-N 2 2 296.418 3.235 20 0 CGADLP CCOc1cc(Nc2ccc3c(c2)CC[NH2+]C3)cc(C)[nH+]1 ZINC001159254482 806066365 /nfs/dbraw/zinc/06/63/65/806066365.db2.gz YVAIWQCSLSPXKG-UHFFFAOYSA-N 2 2 283.375 3.178 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001159797069 806175976 /nfs/dbraw/zinc/17/59/76/806175976.db2.gz RQNZWZCSSPSXTP-UHFFFAOYSA-N 2 2 295.386 3.493 20 0 CGADLP CC[N@H+](C)c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001160372517 806263416 /nfs/dbraw/zinc/26/34/16/806263416.db2.gz QTGKKOPIGGVHFP-JLHYYAGUSA-N 2 2 259.397 3.068 20 0 CGADLP CC[N@@H+](C)c1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001160372517 806263427 /nfs/dbraw/zinc/26/34/27/806263427.db2.gz QTGKKOPIGGVHFP-JLHYYAGUSA-N 2 2 259.397 3.068 20 0 CGADLP Cc1cc(Cl)c(C)c(NCc2ccccc2C[NH3+])[nH+]1 ZINC001160907023 806319187 /nfs/dbraw/zinc/31/91/87/806319187.db2.gz GPBMJDDAVLGABA-UHFFFAOYSA-N 2 2 275.783 3.423 20 0 CGADLP CCOc1cc[nH+]c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001161186745 806357569 /nfs/dbraw/zinc/35/75/69/806357569.db2.gz QHBDVYRNSILDFJ-HNNXBMFYSA-N 2 2 289.423 3.157 20 0 CGADLP CCOc1cc[nH+]c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001161186745 806357578 /nfs/dbraw/zinc/35/75/78/806357578.db2.gz QHBDVYRNSILDFJ-HNNXBMFYSA-N 2 2 289.423 3.157 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CC2)CC1 ZINC001254444503 806401742 /nfs/dbraw/zinc/40/17/42/806401742.db2.gz WGLJLTAQBIJOBQ-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CC2)CC1 ZINC001254444503 806401746 /nfs/dbraw/zinc/40/17/46/806401746.db2.gz WGLJLTAQBIJOBQ-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1F ZINC001254500271 806421926 /nfs/dbraw/zinc/42/19/26/806421926.db2.gz TUMOMFUTXISUTC-GFCCVEGCSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1F ZINC001254500271 806421930 /nfs/dbraw/zinc/42/19/30/806421930.db2.gz TUMOMFUTXISUTC-GFCCVEGCSA-N 2 2 284.806 3.361 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)c2ccccc21 ZINC001254840329 806494451 /nfs/dbraw/zinc/49/44/51/806494451.db2.gz GTHMOKHVSGCGSB-SIIHOXLZSA-N 2 2 270.420 3.309 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846347 806497281 /nfs/dbraw/zinc/49/72/81/806497281.db2.gz UFKMTRRJUCUVIS-OFLPRAFFSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847226 806497574 /nfs/dbraw/zinc/49/75/74/806497574.db2.gz GAOKZLWRRLDKKT-GOEBONIOSA-N 2 2 258.409 3.130 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853526 806500697 /nfs/dbraw/zinc/50/06/97/806500697.db2.gz XKXBWGCZPBAOOE-ZWKOTPCHSA-N 2 2 284.447 3.180 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2cc3[nH]ccc3c[nH+]2)c1 ZINC001162128408 806510230 /nfs/dbraw/zinc/51/02/30/806510230.db2.gz NLIZMMFKDZMQBG-UHFFFAOYSA-N 2 2 296.374 3.356 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255029505 806530444 /nfs/dbraw/zinc/53/04/44/806530444.db2.gz VMIODSXBELQAFU-GOSISDBHSA-N 2 2 294.398 3.011 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255029505 806530445 /nfs/dbraw/zinc/53/04/45/806530445.db2.gz VMIODSXBELQAFU-GOSISDBHSA-N 2 2 294.398 3.011 20 0 CGADLP COc1ccc2cc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)[nH+]cc2c1 ZINC001162452246 806587300 /nfs/dbraw/zinc/58/73/00/806587300.db2.gz CUZHNHACXXQYFY-ZFWWWQNUSA-N 2 2 299.418 3.291 20 0 CGADLP Cc1cccc2c(C)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC001162789695 806667377 /nfs/dbraw/zinc/66/73/77/806667377.db2.gz KEQJMUYWUALJEN-CWRNSKLLSA-N 2 2 279.387 3.038 20 0 CGADLP COc1cc[nH+]cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162908334 806683417 /nfs/dbraw/zinc/68/34/17/806683417.db2.gz FPGKLMYSZVOQNO-LLVKDONJSA-N 2 2 267.332 3.054 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001255634594 806686435 /nfs/dbraw/zinc/68/64/35/806686435.db2.gz ADMFVIRRLFOSLF-LBPRGKRZSA-N 2 2 286.341 3.049 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC=CCC1 ZINC000037156051 798859983 /nfs/dbraw/zinc/85/99/83/798859983.db2.gz WOKDJHSZXOJFTB-HUUCEWRRSA-N 2 2 261.413 3.244 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccn1 ZINC000037156367 798860420 /nfs/dbraw/zinc/86/04/20/798860420.db2.gz ZUWXSNWFDLFEEF-ZFWWWQNUSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccn1 ZINC000037156373 798860473 /nfs/dbraw/zinc/86/04/73/798860473.db2.gz ZUWXSNWFDLFEEF-UKRRQHHQSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000037156565 798862873 /nfs/dbraw/zinc/86/28/73/798862873.db2.gz RXPNEVHKANHTJQ-UKRRQHHQSA-N 2 2 272.396 3.044 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000037904723 798879843 /nfs/dbraw/zinc/87/98/43/798879843.db2.gz MQOOYVZFPRCNGJ-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000037904723 798879847 /nfs/dbraw/zinc/87/98/47/798879847.db2.gz MQOOYVZFPRCNGJ-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000052050016 798897242 /nfs/dbraw/zinc/89/72/42/798897242.db2.gz XINXHFFFKJNLSO-UHFFFAOYSA-N 2 2 260.425 3.301 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003456 798950939 /nfs/dbraw/zinc/95/09/39/798950939.db2.gz JAQJINLVMOZKHP-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003456 798950944 /nfs/dbraw/zinc/95/09/44/798950944.db2.gz JAQJINLVMOZKHP-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255697983 806709238 /nfs/dbraw/zinc/70/92/38/806709238.db2.gz VHOPYAPNWMRXNJ-MJBXVCDLSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255697983 806709242 /nfs/dbraw/zinc/70/92/42/806709242.db2.gz VHOPYAPNWMRXNJ-MJBXVCDLSA-N 2 2 292.389 3.427 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001255696673 806709756 /nfs/dbraw/zinc/70/97/56/806709756.db2.gz GWSSKJQVZJXDQQ-AVGNSLFASA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001255696673 806709761 /nfs/dbraw/zinc/70/97/61/806709761.db2.gz GWSSKJQVZJXDQQ-AVGNSLFASA-N 2 2 290.373 3.324 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cc2ccccc2o1 ZINC000328496117 799252881 /nfs/dbraw/zinc/25/28/81/799252881.db2.gz QHLKFHPJTOMOLX-ZVEGFHSCSA-N 2 2 282.387 3.080 20 0 CGADLP Cc1[nH+]ccc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1Cl ZINC000355687531 799333070 /nfs/dbraw/zinc/33/30/70/799333070.db2.gz XNEALRQIVHOXKP-GFCCVEGCSA-N 2 2 290.798 3.161 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c(C)s1 ZINC000381088748 799372609 /nfs/dbraw/zinc/37/26/09/799372609.db2.gz WQOMKLWIXVHCEF-QBHINQIDSA-N 2 2 276.449 3.012 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000397744160 799519591 /nfs/dbraw/zinc/51/95/91/799519591.db2.gz AXGVFJNUSKUMJI-CZUORRHYSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221520 799537173 /nfs/dbraw/zinc/53/71/73/799537173.db2.gz JEUAEKKOUJLVCR-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221520 799537175 /nfs/dbraw/zinc/53/71/75/799537175.db2.gz JEUAEKKOUJLVCR-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403502824 799566687 /nfs/dbraw/zinc/56/66/87/799566687.db2.gz IGRJZMPRUNNMLO-DKUMPPAJSA-N 2 2 293.480 3.314 20 0 CGADLP C[C@@H](Cc1ccccc1F)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255853893 806768891 /nfs/dbraw/zinc/76/88/91/806768891.db2.gz MRZKSHJHWKRPPT-DZGCQCFKSA-N 2 2 287.382 3.293 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000686496569 799735073 /nfs/dbraw/zinc/73/50/73/799735073.db2.gz BYUHFKLQSLXVIL-UHFFFAOYSA-N 2 2 278.415 3.487 20 0 CGADLP CN(CCC[NH+](C)C)c1cc(-c2ccccc2)cc[nH+]1 ZINC001163595883 806789633 /nfs/dbraw/zinc/78/96/33/806789633.db2.gz PIYRDEIGJKRRDV-UHFFFAOYSA-N 2 2 269.392 3.137 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001255952583 806795379 /nfs/dbraw/zinc/79/53/79/806795379.db2.gz VBQZFCVAMSHWIC-CZUORRHYSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1COc2cc(Cl)ccc21 ZINC001255951926 806795750 /nfs/dbraw/zinc/79/57/50/806795750.db2.gz LDNSDAXGYBADGE-SWLSCSKDSA-N 2 2 296.842 3.484 20 0 CGADLP c1sc2ccccc2c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709920529 800021370 /nfs/dbraw/zinc/02/13/70/800021370.db2.gz QHCSGPYWVRHQRY-UHFFFAOYSA-N 2 2 272.417 3.087 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001255967524 806803291 /nfs/dbraw/zinc/80/32/91/806803291.db2.gz QJLJVYIBJNUKCD-ZDUSSCGKSA-N 2 2 283.847 3.287 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001255967524 806803298 /nfs/dbraw/zinc/80/32/98/806803298.db2.gz QJLJVYIBJNUKCD-ZDUSSCGKSA-N 2 2 283.847 3.287 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000715560767 800138984 /nfs/dbraw/zinc/13/89/84/800138984.db2.gz DWSCMZNIBHDRRD-NWDGAFQWSA-N 2 2 286.341 3.066 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256069181 806809964 /nfs/dbraw/zinc/80/99/64/806809964.db2.gz UNCVUQNNYLIJBJ-GOSISDBHSA-N 2 2 285.435 3.058 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721641029 800299079 /nfs/dbraw/zinc/29/90/79/800299079.db2.gz MRQUTZVWVSMMQW-YOEHRIQHSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)CC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721641029 800299082 /nfs/dbraw/zinc/29/90/82/800299082.db2.gz MRQUTZVWVSMMQW-YOEHRIQHSA-N 2 2 260.425 3.197 20 0 CGADLP CC[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)C1CCCC1 ZINC000722398850 800322434 /nfs/dbraw/zinc/32/24/34/800322434.db2.gz XJFQARYDSLJZKF-CQSZACIVSA-N 2 2 281.469 3.263 20 0 CGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCC(C)C)CC2)c1 ZINC001256372114 806875609 /nfs/dbraw/zinc/87/56/09/806875609.db2.gz HLDGCLCHKKEQTO-HNNXBMFYSA-N 2 2 291.439 3.037 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC001256561552 806916182 /nfs/dbraw/zinc/91/61/82/806916182.db2.gz AHHWICCLTFMOLC-CQSZACIVSA-N 2 2 275.440 3.304 20 0 CGADLP C[C@]1(C[NH3+])CCCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001164242701 806921868 /nfs/dbraw/zinc/92/18/68/806921868.db2.gz OPQIHIYZQHCSAA-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP COc1ccccc1C[N@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572749 806920153 /nfs/dbraw/zinc/92/01/53/806920153.db2.gz WTNZKLMQCNTLRA-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP COc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572749 806920157 /nfs/dbraw/zinc/92/01/57/806920157.db2.gz WTNZKLMQCNTLRA-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258063441 807283164 /nfs/dbraw/zinc/28/31/64/807283164.db2.gz MWSVDUWNRDGRKE-GJZGRUSLSA-N 2 2 254.462 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258063441 807283169 /nfs/dbraw/zinc/28/31/69/807283169.db2.gz MWSVDUWNRDGRKE-GJZGRUSLSA-N 2 2 254.462 3.473 20 0 CGADLP [NH3+]C1CC2(C1)CCN(c1cc(-c3ccccc3)cc[nH+]1)CC2 ZINC001165243588 806979583 /nfs/dbraw/zinc/97/95/83/806979583.db2.gz MMGSMQMMDQUFJD-UHFFFAOYSA-N 2 2 293.414 3.456 20 0 CGADLP Cc1cc(N2CCC3(CC([NH3+])C3)CC2)[nH+]c2ccccc12 ZINC001165243348 806979801 /nfs/dbraw/zinc/97/98/01/806979801.db2.gz GXZZQQTWBGDPMU-UHFFFAOYSA-N 2 2 281.403 3.251 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC001184265678 810186808 /nfs/dbraw/zinc/18/68/08/810186808.db2.gz VFDFWLFHZJOXLN-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC001184265678 810186811 /nfs/dbraw/zinc/18/68/11/810186811.db2.gz VFDFWLFHZJOXLN-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP Oc1cccc2c(N3CCC(c4c[nH]c[nH+]4)CC3)cc[nH+]c12 ZINC001120822175 802783867 /nfs/dbraw/zinc/78/38/67/802783867.db2.gz UGVGJDSVTJTZFF-UHFFFAOYSA-N 2 2 294.358 3.048 20 0 CGADLP CNc1cc(-c2cccc(C3([NH3+])CCC3)c2)cc[nH+]1 ZINC001244977712 803601431 /nfs/dbraw/zinc/60/14/31/803601431.db2.gz VRDNGFSKRLSRIH-UHFFFAOYSA-N 2 2 253.349 3.128 20 0 CGADLP COc1c(C)cccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245361309 803712749 /nfs/dbraw/zinc/71/27/49/803712749.db2.gz DFSXYPWECCYOEP-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245361309 803712752 /nfs/dbraw/zinc/71/27/52/803712752.db2.gz DFSXYPWECCYOEP-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245361016 803713291 /nfs/dbraw/zinc/71/32/91/803713291.db2.gz AEBVVSUADYGNAB-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001245361016 803713294 /nfs/dbraw/zinc/71/32/94/803713294.db2.gz AEBVVSUADYGNAB-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP c1cc2cccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)c2o1 ZINC001245615096 803856087 /nfs/dbraw/zinc/85/60/87/803856087.db2.gz HPGROCVWKBPREY-UHFFFAOYSA-N 2 2 289.338 3.434 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418385 803925748 /nfs/dbraw/zinc/92/57/48/803925748.db2.gz RKYKCPWORGRCDR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418385 803925753 /nfs/dbraw/zinc/92/57/53/803925753.db2.gz RKYKCPWORGRCDR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@H+](Cc1cc(C)sc1C)C1CC[NH+](C)CC1 ZINC001138567789 803969966 /nfs/dbraw/zinc/96/99/66/803969966.db2.gz IJSXZHSWTBFODS-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CC[N@@H+](Cc1cc(C)sc1C)C1CC[NH+](C)CC1 ZINC001138567789 803969979 /nfs/dbraw/zinc/96/99/79/803969979.db2.gz IJSXZHSWTBFODS-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246074511 804114217 /nfs/dbraw/zinc/11/42/17/804114217.db2.gz DXHBOPSCYBYHEV-HNAYVOBHSA-N 2 2 298.430 3.306 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246077808 804116171 /nfs/dbraw/zinc/11/61/71/804116171.db2.gz UGACQMWBYOMKSG-RHSMWYFYSA-N 2 2 286.806 3.097 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001246079506 804117324 /nfs/dbraw/zinc/11/73/24/804117324.db2.gz ZQSBSHZODUWVRW-DLBZAZTESA-N 2 2 286.806 3.097 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246106160 804139017 /nfs/dbraw/zinc/13/90/17/804139017.db2.gz DYZPXHMIGNCGNK-HZMVEIRTSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140791 804163159 /nfs/dbraw/zinc/16/31/59/804163159.db2.gz ICONINLJEJIKAL-KYNGSXCRSA-N 2 2 298.405 3.450 20 0 CGADLP CCCCCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148262 804168424 /nfs/dbraw/zinc/16/84/24/804168424.db2.gz RDKGCONRDIMKIR-IRXDYDNUSA-N 3 2 295.515 3.199 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246157755 804173994 /nfs/dbraw/zinc/17/39/94/804173994.db2.gz DKRUTAGRZIMPIW-HUUCEWRRSA-N 2 2 282.378 3.365 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139341175 804176821 /nfs/dbraw/zinc/17/68/21/804176821.db2.gz ZZFOPKAQPFSECA-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139341175 804176825 /nfs/dbraw/zinc/17/68/25/804176825.db2.gz ZZFOPKAQPFSECA-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C[NH2+]1 ZINC001246176682 804191094 /nfs/dbraw/zinc/19/10/94/804191094.db2.gz QSNJBROQXWECKB-CXAGYDPISA-N 2 2 284.378 3.333 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246192098 804199732 /nfs/dbraw/zinc/19/97/32/804199732.db2.gz ZCEISMHMHFGTBJ-HOCLYGCPSA-N 2 2 278.465 3.207 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001246209474 804208718 /nfs/dbraw/zinc/20/87/18/804208718.db2.gz GBTPZENYQGYBCV-MJVIPROJSA-N 2 2 286.341 3.497 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccn2)CC1 ZINC001139566389 804210035 /nfs/dbraw/zinc/21/00/35/804210035.db2.gz JNVLLTBMEFVFGX-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccn2)CC1 ZINC001139566389 804210041 /nfs/dbraw/zinc/21/00/41/804210041.db2.gz JNVLLTBMEFVFGX-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246229376 804222368 /nfs/dbraw/zinc/22/23/68/804222368.db2.gz KXVFEPJGFJRVQA-HOCLYGCPSA-N 2 2 258.409 3.186 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)C[NH2+]1 ZINC001246240547 804232213 /nfs/dbraw/zinc/23/22/13/804232213.db2.gz QHDRWXPMUIABBD-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H](C)[NH2+]1 ZINC001246262303 804244415 /nfs/dbraw/zinc/24/44/15/804244415.db2.gz AKUYTZBJCOWQPR-IUCAKERBSA-N 2 2 288.769 3.237 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001246275876 804251088 /nfs/dbraw/zinc/25/10/88/804251088.db2.gz XVLCKLKFUMGWED-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP c1cc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cs1 ZINC001246275124 804251177 /nfs/dbraw/zinc/25/11/77/804251177.db2.gz FCFDSBLFNQCDFZ-INIZCTEOSA-N 2 2 272.417 3.257 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246274391 804251846 /nfs/dbraw/zinc/25/18/46/804251846.db2.gz WYKAAKQSLSWTOW-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246296072 804263960 /nfs/dbraw/zinc/26/39/60/804263960.db2.gz XPFZPLKPTOOGEZ-KCQAQPDRSA-N 2 2 294.414 3.262 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+]C1(c2ccccc2Br)CC1 ZINC001246300824 804265867 /nfs/dbraw/zinc/26/58/67/804265867.db2.gz PEZNDSWRQFVYNL-NSHDSACASA-N 2 2 297.240 3.026 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324604 804282511 /nfs/dbraw/zinc/28/25/11/804282511.db2.gz GBNJMARBDSWCFA-DOMZBBRYSA-N 2 2 296.455 3.284 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001139838593 804295874 /nfs/dbraw/zinc/29/58/74/804295874.db2.gz KNEZBWPIQAHRAT-SFHVURJKSA-N 2 2 287.451 3.230 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001139838593 804295880 /nfs/dbraw/zinc/29/58/80/804295880.db2.gz KNEZBWPIQAHRAT-SFHVURJKSA-N 2 2 287.451 3.230 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246348826 804297554 /nfs/dbraw/zinc/29/75/54/804297554.db2.gz JCJSXNOXNBFROL-YNEHKIRRSA-N 2 2 282.378 3.454 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883172 804310839 /nfs/dbraw/zinc/31/08/39/804310839.db2.gz FWLZHFSSLAUKLJ-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883172 804310866 /nfs/dbraw/zinc/31/08/66/804310866.db2.gz FWLZHFSSLAUKLJ-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2F)CC[NH2+]1 ZINC001246377580 804311064 /nfs/dbraw/zinc/31/10/64/804311064.db2.gz HDDFIDFHQUFRIV-XUJVJEKNSA-N 2 2 282.378 3.392 20 0 CGADLP CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025547 804355401 /nfs/dbraw/zinc/35/54/01/804355401.db2.gz CNSMGHTUULIOED-QGZVFWFLSA-N 2 2 297.402 3.124 20 0 CGADLP CC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025547 804355409 /nfs/dbraw/zinc/35/54/09/804355409.db2.gz CNSMGHTUULIOED-QGZVFWFLSA-N 2 2 297.402 3.124 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246508155 804366845 /nfs/dbraw/zinc/36/68/45/804366845.db2.gz DLOBXQYFXXYQHO-GDBMZVCRSA-N 2 2 264.413 3.253 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)CCC=C(C)C)c1 ZINC001246509908 804367066 /nfs/dbraw/zinc/36/70/66/804367066.db2.gz KKZPBXQMKVYQCW-YOEHRIQHSA-N 2 2 276.424 3.420 20 0 CGADLP CCCOC1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508227 804367082 /nfs/dbraw/zinc/36/70/82/804367082.db2.gz SBUWSOLKYAGRMH-OFLPRAFFSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)CC[NH2+]1 ZINC001246523538 804378101 /nfs/dbraw/zinc/37/81/01/804378101.db2.gz NKNNRNSZOURRTI-HOCLYGCPSA-N 2 2 276.399 3.269 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535066 804383799 /nfs/dbraw/zinc/38/37/99/804383799.db2.gz VDTWPTHSEVWZHE-SMDDNHRTSA-N 2 2 298.352 3.060 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535066 804383806 /nfs/dbraw/zinc/38/38/06/804383806.db2.gz VDTWPTHSEVWZHE-SMDDNHRTSA-N 2 2 298.352 3.060 20 0 CGADLP CCCCCC(CCCCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557699 804405889 /nfs/dbraw/zinc/40/58/89/804405889.db2.gz NYOQYGJSKPNPGI-KRWDZBQOSA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC(CCCCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557699 804405891 /nfs/dbraw/zinc/40/58/91/804405891.db2.gz NYOQYGJSKPNPGI-KRWDZBQOSA-N 2 2 284.488 3.436 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246564636 804413286 /nfs/dbraw/zinc/41/32/86/804413286.db2.gz FNIBDMRPFDBWDG-UMVBOHGHSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246564636 804413292 /nfs/dbraw/zinc/41/32/92/804413292.db2.gz FNIBDMRPFDBWDG-UMVBOHGHSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246586109 804429629 /nfs/dbraw/zinc/42/96/29/804429629.db2.gz LIXDNGKOHRPIPX-UGFHNGPFSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246586109 804429631 /nfs/dbraw/zinc/42/96/31/804429631.db2.gz LIXDNGKOHRPIPX-UGFHNGPFSA-N 2 2 284.806 3.032 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589984 804431875 /nfs/dbraw/zinc/43/18/75/804431875.db2.gz QSYITTCTLIUTCA-KBXIAJHMSA-N 2 2 274.399 3.069 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589984 804431877 /nfs/dbraw/zinc/43/18/77/804431877.db2.gz QSYITTCTLIUTCA-KBXIAJHMSA-N 2 2 274.399 3.069 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614944 804449079 /nfs/dbraw/zinc/44/90/79/804449079.db2.gz PLHCEMZAMPAGQD-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614944 804449081 /nfs/dbraw/zinc/44/90/81/804449081.db2.gz PLHCEMZAMPAGQD-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637185 804465359 /nfs/dbraw/zinc/46/53/59/804465359.db2.gz PCSRXENNLCAIDE-SWLSCSKDSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637185 804465362 /nfs/dbraw/zinc/46/53/62/804465362.db2.gz PCSRXENNLCAIDE-SWLSCSKDSA-N 2 2 298.352 3.074 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1O ZINC001140579768 804466947 /nfs/dbraw/zinc/46/69/47/804466947.db2.gz FNRXOZICFRZRIN-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1O ZINC001140579768 804466948 /nfs/dbraw/zinc/46/69/48/804466948.db2.gz FNRXOZICFRZRIN-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641567 804468636 /nfs/dbraw/zinc/46/86/36/804468636.db2.gz JGNIEDKIJSVLGX-BYCMXARLSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641567 804468638 /nfs/dbraw/zinc/46/86/38/804468638.db2.gz JGNIEDKIJSVLGX-BYCMXARLSA-N 2 2 298.352 3.073 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCCC34CC[NH2+]CC4)C[C@@H]21 ZINC001246649424 804477391 /nfs/dbraw/zinc/47/73/91/804477391.db2.gz ZAQZQKHKKZTLAC-QDMKHBRRSA-N 2 2 262.441 3.029 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@H+]3CCCCC34CC[NH2+]CC4)C[C@@H]21 ZINC001246649424 804477394 /nfs/dbraw/zinc/47/73/94/804477394.db2.gz ZAQZQKHKKZTLAC-QDMKHBRRSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246790117 804513461 /nfs/dbraw/zinc/51/34/61/804513461.db2.gz UWHQBUWYTHPGNC-GUYCJALGSA-N 2 2 276.399 3.146 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799853 804518800 /nfs/dbraw/zinc/51/88/00/804518800.db2.gz OKWGIFOEUKKINO-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001140802712 804520477 /nfs/dbraw/zinc/52/04/77/804520477.db2.gz CQTGMQVFRBUZHK-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846046 804553599 /nfs/dbraw/zinc/55/35/99/804553599.db2.gz OVMOQXPCDMJFIW-CABCVRRESA-N 2 2 250.430 3.316 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846046 804553604 /nfs/dbraw/zinc/55/36/04/804553604.db2.gz OVMOQXPCDMJFIW-CABCVRRESA-N 2 2 250.430 3.316 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246847552 804556035 /nfs/dbraw/zinc/55/60/35/804556035.db2.gz UECGFLZZWAQRKO-BRWVUGGUSA-N 2 2 282.472 3.392 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246847552 804556038 /nfs/dbraw/zinc/55/60/38/804556038.db2.gz UECGFLZZWAQRKO-BRWVUGGUSA-N 2 2 282.472 3.392 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851608 804561358 /nfs/dbraw/zinc/56/13/58/804561358.db2.gz MCYVOLSPWIUKEL-IVMMDQJWSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851608 804561364 /nfs/dbraw/zinc/56/13/64/804561364.db2.gz MCYVOLSPWIUKEL-IVMMDQJWSA-N 2 2 278.827 3.270 20 0 CGADLP Clc1cccc2c1C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246869731 804572030 /nfs/dbraw/zinc/57/20/30/804572030.db2.gz ITHIIEWVEAVVEY-AWEZNQCLSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1cccc2c1C[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246869731 804572035 /nfs/dbraw/zinc/57/20/35/804572035.db2.gz ITHIIEWVEAVVEY-AWEZNQCLSA-N 2 2 290.838 3.373 20 0 CGADLP c1cn2ccc(C[NH+]3CCC4(CCC4)CC3)cc2[nH+]1 ZINC001141047385 804578119 /nfs/dbraw/zinc/57/81/19/804578119.db2.gz HYMBUMAQLINOAV-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246886029 804581185 /nfs/dbraw/zinc/58/11/85/804581185.db2.gz GUDSRTGWYKUKIR-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246886029 804581189 /nfs/dbraw/zinc/58/11/89/804581189.db2.gz GUDSRTGWYKUKIR-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CCCCc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC001141067913 804582034 /nfs/dbraw/zinc/58/20/34/804582034.db2.gz RJZSAYWSZNVIOT-KBPBESRZSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC001141067913 804582040 /nfs/dbraw/zinc/58/20/40/804582040.db2.gz RJZSAYWSZNVIOT-KBPBESRZSA-N 2 2 261.413 3.374 20 0 CGADLP Fc1cccc(F)c1[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246902825 804588885 /nfs/dbraw/zinc/58/88/85/804588885.db2.gz WEFISLDYMHLNSF-GYVWXKFASA-N 2 2 292.373 3.385 20 0 CGADLP Fc1cccc(F)c1[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246902825 804588889 /nfs/dbraw/zinc/58/88/89/804588889.db2.gz WEFISLDYMHLNSF-GYVWXKFASA-N 2 2 292.373 3.385 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903613 804590597 /nfs/dbraw/zinc/59/05/97/804590597.db2.gz ZDZANKNQAGNWHP-LALPHHSUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903613 804590600 /nfs/dbraw/zinc/59/06/00/804590600.db2.gz ZDZANKNQAGNWHP-LALPHHSUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246913074 804596555 /nfs/dbraw/zinc/59/65/55/804596555.db2.gz JXPLYJOGOGVVCR-DGCLKSJQSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246913074 804596558 /nfs/dbraw/zinc/59/65/58/804596558.db2.gz JXPLYJOGOGVVCR-DGCLKSJQSA-N 2 2 284.856 3.244 20 0 CGADLP CC(C)[N@H+](Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC001141270022 804625752 /nfs/dbraw/zinc/62/57/52/804625752.db2.gz CIRYOIVBRNGNRQ-UHFFFAOYSA-N 2 2 289.467 3.057 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC001141270022 804625756 /nfs/dbraw/zinc/62/57/56/804625756.db2.gz CIRYOIVBRNGNRQ-UHFFFAOYSA-N 2 2 289.467 3.057 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246988324 804629938 /nfs/dbraw/zinc/62/99/38/804629938.db2.gz PAXGVWRCZDSHFE-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246988324 804629943 /nfs/dbraw/zinc/62/99/43/804629943.db2.gz PAXGVWRCZDSHFE-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP c1c2c(cc3[nH+]c(C4CC5(C4)CC[NH2+]CC5)[nH]c13)CCC2 ZINC001247010971 804638356 /nfs/dbraw/zinc/63/83/56/804638356.db2.gz NFEPDBBQGFXQME-UHFFFAOYSA-N 2 2 281.403 3.299 20 0 CGADLP c1ccc2cc(N3CCC4(CCCC[NH2+]4)CC3)[nH+]cc2c1 ZINC001165247509 806981421 /nfs/dbraw/zinc/98/14/21/806981421.db2.gz ZUWJZZRIRCVERA-UHFFFAOYSA-N 2 2 281.403 3.347 20 0 CGADLP CCc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc(CC)c1O ZINC001144136679 804943321 /nfs/dbraw/zinc/94/33/21/804943321.db2.gz CTWBFMYWMWPENN-UHFFFAOYSA-N 2 2 290.451 3.043 20 0 CGADLP Fc1cc2cc[nH]c2c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001249525488 805166903 /nfs/dbraw/zinc/16/69/03/805166903.db2.gz PYBFUROFGIKRBA-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001250181834 805469704 /nfs/dbraw/zinc/46/97/04/805469704.db2.gz PKKLGNOWXUMEAS-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001250181834 805469705 /nfs/dbraw/zinc/46/97/05/805469705.db2.gz PKKLGNOWXUMEAS-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCSc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1 ZINC001155029375 805526763 /nfs/dbraw/zinc/52/67/63/805526763.db2.gz KXRVBIHLOZZWDN-OLZOCXBDSA-N 2 2 279.453 3.241 20 0 CGADLP CCC(CC)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257296687 807091980 /nfs/dbraw/zinc/09/19/80/807091980.db2.gz OSNOJCNVBPMOJJ-UHFFFAOYSA-N 2 2 292.471 3.072 20 0 CGADLP CCC(CC)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257296687 807091985 /nfs/dbraw/zinc/09/19/85/807091985.db2.gz OSNOJCNVBPMOJJ-UHFFFAOYSA-N 2 2 292.471 3.072 20 0 CGADLP CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257308760 807098632 /nfs/dbraw/zinc/09/86/32/807098632.db2.gz GXOPYMPCHKBHNF-GXFFZTMASA-N 2 2 285.229 3.227 20 0 CGADLP CCc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]c1 ZINC001167624598 807217635 /nfs/dbraw/zinc/21/76/35/807217635.db2.gz BJAVPHSFWPLGNU-UHFFFAOYSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)c[nH+]c1C ZINC001167625449 807219389 /nfs/dbraw/zinc/21/93/89/807219389.db2.gz SUQDMIVLJAFKJE-UHFFFAOYSA-N 2 2 261.413 3.183 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001257873269 807233282 /nfs/dbraw/zinc/23/32/82/807233282.db2.gz RARQRSLBDXDLQR-WWDZGPRUSA-N 2 2 296.499 3.433 20 0 CGADLP CC(C)OC1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001257882858 807236937 /nfs/dbraw/zinc/23/69/37/807236937.db2.gz FUTQPXWIJMWTFW-UHFFFAOYSA-N 2 2 291.439 3.256 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc2cc[nH]c2c[nH+]1 ZINC001167749111 807239847 /nfs/dbraw/zinc/23/98/47/807239847.db2.gz YAYYGFOXGSPIFL-CYBMUJFWSA-N 2 2 272.396 3.239 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc2cc[nH]c2c[nH+]1 ZINC001167749111 807239850 /nfs/dbraw/zinc/23/98/50/807239850.db2.gz YAYYGFOXGSPIFL-CYBMUJFWSA-N 2 2 272.396 3.239 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCC3(COC3)CC2)c1 ZINC001257903968 807248765 /nfs/dbraw/zinc/24/87/65/807248765.db2.gz MBISGZNKKKKXJO-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP CN(c1ccc(C2CC[NH+](C)CC2)cc1)c1[nH+]cccc1N ZINC001212687615 815103553 /nfs/dbraw/zinc/10/35/53/815103553.db2.gz COWUNLULAJZSOQ-UHFFFAOYSA-N 2 2 296.418 3.241 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001258016685 807266287 /nfs/dbraw/zinc/26/62/87/807266287.db2.gz JPASIRFSUIASDW-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001258016685 807266290 /nfs/dbraw/zinc/26/62/90/807266290.db2.gz JPASIRFSUIASDW-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP c1ccc(OC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167971497 807290382 /nfs/dbraw/zinc/29/03/82/807290382.db2.gz WKMNJLASNSWNIR-ALOPSCKCSA-N 2 2 286.419 3.018 20 0 CGADLP c1ccc(OC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167971497 807290390 /nfs/dbraw/zinc/29/03/90/807290390.db2.gz WKMNJLASNSWNIR-ALOPSCKCSA-N 2 2 286.419 3.018 20 0 CGADLP C[C@H]1CC([N@@H+]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051082 807303163 /nfs/dbraw/zinc/30/31/63/807303163.db2.gz FYEPAEXEKYSQIP-YQQAZPJKSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@H]1CC([N@H+]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051082 807303171 /nfs/dbraw/zinc/30/31/71/807303171.db2.gz FYEPAEXEKYSQIP-YQQAZPJKSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H](C)C1 ZINC001258156117 807324681 /nfs/dbraw/zinc/32/46/81/807324681.db2.gz MUFLHULUQQVLLA-IHRRRGAJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H](C)C1 ZINC001258156117 807324690 /nfs/dbraw/zinc/32/46/90/807324690.db2.gz MUFLHULUQQVLLA-IHRRRGAJSA-N 2 2 250.430 3.028 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168390370 807401417 /nfs/dbraw/zinc/40/14/17/807401417.db2.gz HCSJDIOIEQLMJG-UHFFFAOYSA-N 2 2 274.383 3.016 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168390370 807401423 /nfs/dbraw/zinc/40/14/23/807401423.db2.gz HCSJDIOIEQLMJG-UHFFFAOYSA-N 2 2 274.383 3.016 20 0 CGADLP CC1(C)CCC[C@@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299044 807403047 /nfs/dbraw/zinc/40/30/47/807403047.db2.gz XHZBRGYBJFCMRI-PMPSAXMXSA-N 2 2 282.447 3.463 20 0 CGADLP CC1(C)CCC[C@@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299044 807403049 /nfs/dbraw/zinc/40/30/49/807403049.db2.gz XHZBRGYBJFCMRI-PMPSAXMXSA-N 2 2 282.447 3.463 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC001258388275 807436034 /nfs/dbraw/zinc/43/60/34/807436034.db2.gz SSCMTEXGMAVWAC-MRXNPFEDSA-N 2 2 292.467 3.338 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC001258388275 807436036 /nfs/dbraw/zinc/43/60/36/807436036.db2.gz SSCMTEXGMAVWAC-MRXNPFEDSA-N 2 2 292.467 3.338 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258443433 807452883 /nfs/dbraw/zinc/45/28/83/807452883.db2.gz MIXKIIHFDQFGDC-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258443433 807452886 /nfs/dbraw/zinc/45/28/86/807452886.db2.gz MIXKIIHFDQFGDC-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258443433 807452890 /nfs/dbraw/zinc/45/28/90/807452890.db2.gz MIXKIIHFDQFGDC-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258443433 807452895 /nfs/dbraw/zinc/45/28/95/807452895.db2.gz MIXKIIHFDQFGDC-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@@H](CC)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258443907 807454027 /nfs/dbraw/zinc/45/40/27/807454027.db2.gz PMLIWCIAJLPLJS-IAGOWNOFSA-N 2 2 282.472 3.142 20 0 CGADLP CCCCC[C@@H](CC)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258443907 807454030 /nfs/dbraw/zinc/45/40/30/807454030.db2.gz PMLIWCIAJLPLJS-IAGOWNOFSA-N 2 2 282.472 3.142 20 0 CGADLP CCCCC[C@@H](CC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258448776 807457336 /nfs/dbraw/zinc/45/73/36/807457336.db2.gz YECGDQNWGGJDCM-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@@H](CC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258448776 807457341 /nfs/dbraw/zinc/45/73/41/807457341.db2.gz YECGDQNWGGJDCM-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001168703769 807491117 /nfs/dbraw/zinc/49/11/17/807491117.db2.gz AWEZVNNYNIXLSB-UONOGXRCSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001168703769 807491121 /nfs/dbraw/zinc/49/11/21/807491121.db2.gz AWEZVNNYNIXLSB-UONOGXRCSA-N 2 2 290.838 3.024 20 0 CGADLP [NH3+]Cc1ccc2ncn(-c3cccc(C4=[NH+]CCC4)c3)c2c1 ZINC001168846133 807525598 /nfs/dbraw/zinc/52/55/98/807525598.db2.gz KTXOCNAUYFMSMK-UHFFFAOYSA-N 2 2 290.370 3.067 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C2 ZINC001169108565 807577826 /nfs/dbraw/zinc/57/78/26/807577826.db2.gz BJSYGQWMSRTVRZ-ZSOGYDGISA-N 2 2 298.623 3.325 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C2 ZINC001169108565 807577828 /nfs/dbraw/zinc/57/78/28/807577828.db2.gz BJSYGQWMSRTVRZ-ZSOGYDGISA-N 2 2 298.623 3.325 20 0 CGADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258755881 807595323 /nfs/dbraw/zinc/59/53/23/807595323.db2.gz CBXQHPNPAKNXCB-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258755881 807595328 /nfs/dbraw/zinc/59/53/28/807595328.db2.gz CBXQHPNPAKNXCB-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819100 807635458 /nfs/dbraw/zinc/63/54/58/807635458.db2.gz CDHHSFCHWWVXLN-DFEOGRTESA-N 2 2 299.462 3.024 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258837095 807651132 /nfs/dbraw/zinc/65/11/32/807651132.db2.gz GHXAPVHIIAUZFW-SFHVURJKSA-N 2 2 296.499 3.244 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258837095 807651137 /nfs/dbraw/zinc/65/11/37/807651137.db2.gz GHXAPVHIIAUZFW-SFHVURJKSA-N 2 2 296.499 3.244 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(N)c(F)c[nH+]1 ZINC001169684995 807687040 /nfs/dbraw/zinc/68/70/40/807687040.db2.gz NDCDTSZAFRSJKB-CYBMUJFWSA-N 2 2 286.354 3.043 20 0 CGADLP COc1cccc2c(NC(C)(C)CC[NH+](C)C)cc[nH+]c12 ZINC001169718672 807697841 /nfs/dbraw/zinc/69/78/41/807697841.db2.gz QULJEROIYOTBLY-UHFFFAOYSA-N 2 2 287.407 3.386 20 0 CGADLP CC[C@@H]1C[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001170194684 807791805 /nfs/dbraw/zinc/79/18/05/807791805.db2.gz XUCMWYORSRBKSD-HZPDHXFCSA-N 2 2 285.391 3.139 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170895339 807926984 /nfs/dbraw/zinc/92/69/84/807926984.db2.gz CTFLCYJNFRUOGR-DZGCQCFKSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1[nH+]cn([C@H]2CCc3cc(Cl)ccc3C2)c1CC[NH3+] ZINC001171093808 807981326 /nfs/dbraw/zinc/98/13/26/807981326.db2.gz ILWDNUZSIVBHTA-HNNXBMFYSA-N 2 2 289.810 3.076 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(C)cccc2C1 ZINC001171574720 808102835 /nfs/dbraw/zinc/10/28/35/808102835.db2.gz OTJNQBSZNYPILO-QGZVFWFLSA-N 2 2 283.419 3.071 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(C)cccc2C1 ZINC001171574720 808102839 /nfs/dbraw/zinc/10/28/39/808102839.db2.gz OTJNQBSZNYPILO-QGZVFWFLSA-N 2 2 283.419 3.071 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001171666107 808117650 /nfs/dbraw/zinc/11/76/50/808117650.db2.gz SXGJECGGBUQMDW-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001171666107 808117652 /nfs/dbraw/zinc/11/76/52/808117652.db2.gz SXGJECGGBUQMDW-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1[nH+]cn([C@@H]2CC[C@@H](C)[C@@H](C)C2)c1CSCC[NH3+] ZINC001172363723 808258461 /nfs/dbraw/zinc/25/84/61/808258461.db2.gz OSVDMPXONKNOBE-MBNYWOFBSA-N 2 2 281.469 3.381 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2c(C)[nH+]cn2C)cc1 ZINC001212969089 815192437 /nfs/dbraw/zinc/19/24/37/815192437.db2.gz MDKKLSREUANHIO-UHFFFAOYSA-N 2 2 258.369 3.318 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538965 808372475 /nfs/dbraw/zinc/37/24/75/808372475.db2.gz YCHXRUMUOIISLW-DJIMGWMZSA-N 2 2 260.425 3.253 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001172552522 808380433 /nfs/dbraw/zinc/38/04/33/808380433.db2.gz MHBQHBGLKAPPME-IEBWSBKVSA-N 2 2 284.447 3.493 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001172552522 808380442 /nfs/dbraw/zinc/38/04/42/808380442.db2.gz MHBQHBGLKAPPME-IEBWSBKVSA-N 2 2 284.447 3.493 20 0 CGADLP CC1(C)CC([NH2+]CC[NH+]2CCCCCC2)CC(C)(C)O1 ZINC001172644501 808408147 /nfs/dbraw/zinc/40/81/47/808408147.db2.gz QUJSMAIYGOEBIA-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001172873116 808472019 /nfs/dbraw/zinc/47/20/19/808472019.db2.gz GDDWUQFUTIXCFS-RYUDHWBXSA-N 2 2 286.872 3.360 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC001173237630 808546556 /nfs/dbraw/zinc/54/65/56/808546556.db2.gz JLELLKFQWSJAFG-HOTGVXAUSA-N 2 2 274.452 3.254 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+]CCc1[nH+]ccn1C ZINC001173255439 808562642 /nfs/dbraw/zinc/56/26/42/808562642.db2.gz IOFUNQHNNUAERQ-CQSZACIVSA-N 2 2 251.418 3.157 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001173273224 808577155 /nfs/dbraw/zinc/57/71/55/808577155.db2.gz MTRCXAVLKKLIHS-IMJJTQAJSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001173273224 808577160 /nfs/dbraw/zinc/57/71/60/808577160.db2.gz MTRCXAVLKKLIHS-IMJJTQAJSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001173285238 808585681 /nfs/dbraw/zinc/58/56/81/808585681.db2.gz VHNCRIDUNDUKCM-HIFRSBDPSA-N 2 2 291.414 3.358 20 0 CGADLP CCSC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001173307022 808603310 /nfs/dbraw/zinc/60/33/10/808603310.db2.gz BVFVISMIJXNHSU-AWEZNQCLSA-N 2 2 293.480 3.090 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CCCOC)C2)C1 ZINC001274936599 808892052 /nfs/dbraw/zinc/89/20/52/808892052.db2.gz IDUSKWAFSAMHDU-KRWDZBQOSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CCCOC)C2)C1 ZINC001274936599 808892058 /nfs/dbraw/zinc/89/20/58/808892058.db2.gz IDUSKWAFSAMHDU-KRWDZBQOSA-N 2 2 296.499 3.247 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504609 808943061 /nfs/dbraw/zinc/94/30/61/808943061.db2.gz FIUBLQJWXKINAJ-SFHVURJKSA-N 2 2 299.418 3.136 20 0 CGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504609 808943066 /nfs/dbraw/zinc/94/30/66/808943066.db2.gz FIUBLQJWXKINAJ-SFHVURJKSA-N 2 2 299.418 3.136 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504609 808943070 /nfs/dbraw/zinc/94/30/70/808943070.db2.gz FIUBLQJWXKINAJ-SFHVURJKSA-N 2 2 299.418 3.136 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504609 808943074 /nfs/dbraw/zinc/94/30/74/808943074.db2.gz FIUBLQJWXKINAJ-SFHVURJKSA-N 2 2 299.418 3.136 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3csc(C(C)C)n3)(C1)CCC2 ZINC001275674761 808957713 /nfs/dbraw/zinc/95/77/13/808957713.db2.gz NUPAGFROWWZPHI-JKSUJKDBSA-N 2 2 293.480 3.421 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)ccn1 ZINC001275889500 808973766 /nfs/dbraw/zinc/97/37/66/808973766.db2.gz TZMFYIAZSZHINP-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)ccn1 ZINC001275889500 808973772 /nfs/dbraw/zinc/97/37/72/808973772.db2.gz TZMFYIAZSZHINP-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)ccn1 ZINC001275889500 808973773 /nfs/dbraw/zinc/97/37/73/808973773.db2.gz TZMFYIAZSZHINP-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)ccn1 ZINC001275889500 808973778 /nfs/dbraw/zinc/97/37/78/808973778.db2.gz TZMFYIAZSZHINP-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncc(F)c3Cl)(C1)CCC2 ZINC001276236476 808995350 /nfs/dbraw/zinc/99/53/50/808995350.db2.gz JRMZCHQBGMJTGM-LSDHHAIUSA-N 2 2 297.805 3.029 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1F ZINC001276305035 809001126 /nfs/dbraw/zinc/00/11/26/809001126.db2.gz WPJUKEHDFKHXON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1F ZINC001276305035 809001135 /nfs/dbraw/zinc/00/11/35/809001135.db2.gz WPJUKEHDFKHXON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1F ZINC001276305035 809001140 /nfs/dbraw/zinc/00/11/40/809001140.db2.gz WPJUKEHDFKHXON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1F ZINC001276305035 809001147 /nfs/dbraw/zinc/00/11/47/809001147.db2.gz WPJUKEHDFKHXON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc[nH+]c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176378027 809681596 /nfs/dbraw/zinc/68/15/96/809681596.db2.gz BMYRCHDYCJTWSR-UHFFFAOYSA-N 2 2 297.402 3.008 20 0 CGADLP COc1cc(Nc2ccc[nH+]c2N2CCCC2)[nH+]cc1C ZINC001176748848 809756355 /nfs/dbraw/zinc/75/63/55/809756355.db2.gz DWOUDOLVLLJQSR-UHFFFAOYSA-N 2 2 284.363 3.137 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001182195937 810098354 /nfs/dbraw/zinc/09/83/54/810098354.db2.gz LOOPLLKVHCIAPE-AEFFLSMTSA-N 2 2 274.452 3.427 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238303 810141576 /nfs/dbraw/zinc/14/15/76/810141576.db2.gz JSHJOEJCWKUKLL-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238303 810141581 /nfs/dbraw/zinc/14/15/81/810141581.db2.gz JSHJOEJCWKUKLL-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001184998186 810228532 /nfs/dbraw/zinc/22/85/32/810228532.db2.gz AZUTZDLTAHHEMH-MJBXVCDLSA-N 2 2 290.455 3.126 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC001184998186 810228534 /nfs/dbraw/zinc/22/85/34/810228534.db2.gz AZUTZDLTAHHEMH-MJBXVCDLSA-N 2 2 290.455 3.126 20 0 CGADLP c1cn(CCC[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c[nH+]1 ZINC001196886513 811377235 /nfs/dbraw/zinc/37/72/35/811377235.db2.gz BVTIMAHWHZRLSU-KURKYZTESA-N 2 2 281.403 3.009 20 0 CGADLP c1cn(CCC[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c[nH+]1 ZINC001196886513 811377245 /nfs/dbraw/zinc/37/72/45/811377245.db2.gz BVTIMAHWHZRLSU-KURKYZTESA-N 2 2 281.403 3.009 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001200411757 811688116 /nfs/dbraw/zinc/68/81/16/811688116.db2.gz IKIOCAJUOYNHFM-BBWFWOEESA-N 2 2 264.457 3.443 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001200411757 811688121 /nfs/dbraw/zinc/68/81/21/811688121.db2.gz IKIOCAJUOYNHFM-BBWFWOEESA-N 2 2 264.457 3.443 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001203388088 812337837 /nfs/dbraw/zinc/33/78/37/812337837.db2.gz GJANZJSIGOATDP-GJZGRUSLSA-N 2 2 278.827 3.114 20 0 CGADLP Cc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001203894639 812484537 /nfs/dbraw/zinc/48/45/37/812484537.db2.gz UDSSJARDCUOOSV-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001203894639 812484540 /nfs/dbraw/zinc/48/45/40/812484540.db2.gz UDSSJARDCUOOSV-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001203922179 812492186 /nfs/dbraw/zinc/49/21/86/812492186.db2.gz MIBKFLIRBIRKQR-GJZGRUSLSA-N 2 2 278.827 3.114 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989227 812510869 /nfs/dbraw/zinc/51/08/69/812510869.db2.gz ZUQXGLDCIWBTOP-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989227 812510874 /nfs/dbraw/zinc/51/08/74/812510874.db2.gz ZUQXGLDCIWBTOP-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989227 812510878 /nfs/dbraw/zinc/51/08/78/812510878.db2.gz ZUQXGLDCIWBTOP-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@H]21 ZINC001203989227 812510882 /nfs/dbraw/zinc/51/08/82/812510882.db2.gz ZUQXGLDCIWBTOP-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001204178060 812568475 /nfs/dbraw/zinc/56/84/75/812568475.db2.gz IRCWOSXWMPJSHP-UHFFFAOYSA-N 2 2 272.436 3.308 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001204178060 812568479 /nfs/dbraw/zinc/56/84/79/812568479.db2.gz IRCWOSXWMPJSHP-UHFFFAOYSA-N 2 2 272.436 3.308 20 0 CGADLP Cc1cc[nH+]c(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001204336547 812615571 /nfs/dbraw/zinc/61/55/71/812615571.db2.gz OEGLAACDYDNBIO-UHFFFAOYSA-N 2 2 297.402 3.008 20 0 CGADLP c1cc(-c2csc(C[N@@H+]3CCC[NH2+]CC3)c2)cs1 ZINC001204684697 812708697 /nfs/dbraw/zinc/70/86/97/812708697.db2.gz LCXIXMATGZBJDT-UHFFFAOYSA-N 2 2 278.446 3.272 20 0 CGADLP c1cc(-c2csc(C[N@H+]3CCC[NH2+]CC3)c2)cs1 ZINC001204684697 812708700 /nfs/dbraw/zinc/70/87/00/812708700.db2.gz LCXIXMATGZBJDT-UHFFFAOYSA-N 2 2 278.446 3.272 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204772444 812731903 /nfs/dbraw/zinc/73/19/03/812731903.db2.gz VSKCEUMESCQGMH-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204772444 812731910 /nfs/dbraw/zinc/73/19/10/812731910.db2.gz VSKCEUMESCQGMH-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204924982 812778620 /nfs/dbraw/zinc/77/86/20/812778620.db2.gz HVFDUZOJCIYWOV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204924982 812778625 /nfs/dbraw/zinc/77/86/25/812778625.db2.gz HVFDUZOJCIYWOV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204939747 812788315 /nfs/dbraw/zinc/78/83/15/812788315.db2.gz SUECADFOJGCTQI-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204939747 812788320 /nfs/dbraw/zinc/78/83/20/812788320.db2.gz SUECADFOJGCTQI-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001204945933 812791638 /nfs/dbraw/zinc/79/16/38/812791638.db2.gz KLIPRRZFFOYQTP-QGZVFWFLSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001204945933 812791642 /nfs/dbraw/zinc/79/16/42/812791642.db2.gz KLIPRRZFFOYQTP-QGZVFWFLSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001205093781 812859714 /nfs/dbraw/zinc/85/97/14/812859714.db2.gz GDJSAKAEHNUJCP-CYBMUJFWSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001205093781 812859721 /nfs/dbraw/zinc/85/97/21/812859721.db2.gz GDJSAKAEHNUJCP-CYBMUJFWSA-N 2 2 273.207 3.307 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)n1 ZINC001205124272 812877454 /nfs/dbraw/zinc/87/74/54/812877454.db2.gz NACNMXAPULGALI-CYBMUJFWSA-N 2 2 281.831 3.172 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)n1 ZINC001205124272 812877464 /nfs/dbraw/zinc/87/74/64/812877464.db2.gz NACNMXAPULGALI-CYBMUJFWSA-N 2 2 281.831 3.172 20 0 CGADLP C[C@H]1C[N@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001205164622 812895084 /nfs/dbraw/zinc/89/50/84/812895084.db2.gz JBSFXVDHKRZNKJ-MAUKXSAKSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@H]1C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC001205164622 812895088 /nfs/dbraw/zinc/89/50/88/812895088.db2.gz JBSFXVDHKRZNKJ-MAUKXSAKSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205265211 812921454 /nfs/dbraw/zinc/92/14/54/812921454.db2.gz ONGKMGPAKCJBKJ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205265211 812921461 /nfs/dbraw/zinc/92/14/61/812921461.db2.gz ONGKMGPAKCJBKJ-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205332514 812959382 /nfs/dbraw/zinc/95/93/82/812959382.db2.gz QQOKQXFAIYHXSY-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205332514 812959387 /nfs/dbraw/zinc/95/93/87/812959387.db2.gz QQOKQXFAIYHXSY-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805553 813086034 /nfs/dbraw/zinc/08/60/34/813086034.db2.gz RBADMECHIHDROE-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805553 813086037 /nfs/dbraw/zinc/08/60/37/813086037.db2.gz RBADMECHIHDROE-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814478 813091650 /nfs/dbraw/zinc/09/16/50/813091650.db2.gz CFUBVTOONJKXAB-DGCLKSJQSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814478 813091660 /nfs/dbraw/zinc/09/16/60/813091660.db2.gz CFUBVTOONJKXAB-DGCLKSJQSA-N 2 2 291.826 3.381 20 0 CGADLP COc1ccc2oc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205815589 813092280 /nfs/dbraw/zinc/09/22/80/813092280.db2.gz HRPSQYRRIOOABK-TZMCWYRMSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205815589 813092290 /nfs/dbraw/zinc/09/22/90/813092290.db2.gz HRPSQYRRIOOABK-TZMCWYRMSA-N 2 2 288.391 3.001 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829964 813100927 /nfs/dbraw/zinc/10/09/27/813100927.db2.gz QDTXNFPZYLFIFA-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829964 813100929 /nfs/dbraw/zinc/10/09/29/813100929.db2.gz QDTXNFPZYLFIFA-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856209 813110194 /nfs/dbraw/zinc/11/01/94/813110194.db2.gz TUYQZVNLSIGYEB-PBHICJAKSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856209 813110198 /nfs/dbraw/zinc/11/01/98/813110198.db2.gz TUYQZVNLSIGYEB-PBHICJAKSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)C2)c(C)c1C ZINC001205895502 813121697 /nfs/dbraw/zinc/12/16/97/813121697.db2.gz GPTSFSKWWPIVIM-IAGOWNOFSA-N 2 2 278.415 3.100 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)C2)c(C)c1C ZINC001205895502 813121700 /nfs/dbraw/zinc/12/17/00/813121700.db2.gz GPTSFSKWWPIVIM-IAGOWNOFSA-N 2 2 278.415 3.100 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901477 813123310 /nfs/dbraw/zinc/12/33/10/813123310.db2.gz COOUBPOFXTYIII-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901477 813123311 /nfs/dbraw/zinc/12/33/11/813123311.db2.gz COOUBPOFXTYIII-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@H](C)OC)[NH+](CC)CC)cc1 ZINC001206047813 813180632 /nfs/dbraw/zinc/18/06/32/813180632.db2.gz MEQMBOPVZBQEGP-YJBOKZPZSA-N 2 2 292.467 3.256 20 0 CGADLP F[C@@H]1CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206081014 813194735 /nfs/dbraw/zinc/19/47/35/813194735.db2.gz JSULYCAWILAFOF-CQSZACIVSA-N 2 2 256.409 3.123 20 0 CGADLP F[C@@H]1CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206081014 813194737 /nfs/dbraw/zinc/19/47/37/813194737.db2.gz JSULYCAWILAFOF-CQSZACIVSA-N 2 2 256.409 3.123 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262769 813262549 /nfs/dbraw/zinc/26/25/49/813262549.db2.gz GCWGNXKZHAYWSV-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262769 813262553 /nfs/dbraw/zinc/26/25/53/813262553.db2.gz GCWGNXKZHAYWSV-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]CCC1CC[NH+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001206499846 813336384 /nfs/dbraw/zinc/33/63/84/813336384.db2.gz FBHBOTSDRJIYDF-UHFFFAOYSA-N 2 2 288.769 3.179 20 0 CGADLP CS[C@@H](C)CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208140287 813705646 /nfs/dbraw/zinc/70/56/46/813705646.db2.gz ZSBCLAJAWQSGDG-ZDUSSCGKSA-N 2 2 280.437 3.066 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171752 813725663 /nfs/dbraw/zinc/72/56/63/813725663.db2.gz XBJQFGKNGFKCEG-XWTMOSNGSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171752 813725673 /nfs/dbraw/zinc/72/56/73/813725673.db2.gz XBJQFGKNGFKCEG-XWTMOSNGSA-N 2 2 294.458 3.487 20 0 CGADLP CC/C=C\CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001208732582 813821392 /nfs/dbraw/zinc/82/13/92/813821392.db2.gz CPBJMUSBRJCDIQ-FOSCPCJNSA-N 2 2 260.381 3.199 20 0 CGADLP CC/C=C\CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001208732582 813821399 /nfs/dbraw/zinc/82/13/99/813821399.db2.gz CPBJMUSBRJCDIQ-FOSCPCJNSA-N 2 2 260.381 3.199 20 0 CGADLP c1cn(-c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)c[nH+]1 ZINC001242676924 823096011 /nfs/dbraw/zinc/09/60/11/823096011.db2.gz YCDVADKMWKSHJI-UHFFFAOYSA-N 2 2 261.328 3.143 20 0 CGADLP Fc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1-n1cc[nH+]c1 ZINC001242677983 823097113 /nfs/dbraw/zinc/09/71/13/823097113.db2.gz UXGIUTPEDKYRCB-UHFFFAOYSA-N 2 2 279.318 3.282 20 0 CGADLP Cc1[nH+]ccn1Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1 ZINC001210288545 814384816 /nfs/dbraw/zinc/38/48/16/814384816.db2.gz SBXTXCRBOJTGHT-UHFFFAOYSA-N 2 2 293.374 3.269 20 0 CGADLP COc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1C(C)C ZINC001210497769 814489436 /nfs/dbraw/zinc/48/94/36/814489436.db2.gz NSMWMAHAXQZUDC-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1C(C)C ZINC001210497769 814489439 /nfs/dbraw/zinc/48/94/39/814489439.db2.gz NSMWMAHAXQZUDC-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP c1cn2cccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)c2[nH+]1 ZINC001210706719 814590492 /nfs/dbraw/zinc/59/04/92/814590492.db2.gz ZHDKNUNSYOPXEY-HNNXBMFYSA-N 2 2 282.391 3.278 20 0 CGADLP CCOc1cc(Nc2ccc(C[NH2+]C)cc2)cc(C)[nH+]1 ZINC001211129861 814756110 /nfs/dbraw/zinc/75/61/10/814756110.db2.gz WYGHICJDXSHJJQ-UHFFFAOYSA-N 2 2 271.364 3.252 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cccn3cc[nH+]c23)c1F ZINC001216227431 815745378 /nfs/dbraw/zinc/74/53/78/815745378.db2.gz GWZYHCJWZDWENT-UHFFFAOYSA-N 2 2 284.338 3.279 20 0 CGADLP c1cn2c(cccc2Nc2c[nH+]cn2Cc2ccccc2)[nH+]1 ZINC001216549574 815855629 /nfs/dbraw/zinc/85/56/29/815855629.db2.gz XAKSECOUZMKIDG-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192474 816372534 /nfs/dbraw/zinc/37/25/34/816372534.db2.gz WBLMYVYMYGKIDA-BHYGNILZSA-N 2 2 290.838 3.271 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222192474 816372543 /nfs/dbraw/zinc/37/25/43/816372543.db2.gz WBLMYVYMYGKIDA-BHYGNILZSA-N 2 2 290.838 3.271 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222253784 816388290 /nfs/dbraw/zinc/38/82/90/816388290.db2.gz RZANAHLSEHDBSO-QGZVFWFLSA-N 2 2 276.399 3.161 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222253784 816388296 /nfs/dbraw/zinc/38/82/96/816388296.db2.gz RZANAHLSEHDBSO-QGZVFWFLSA-N 2 2 276.399 3.161 20 0 CGADLP c1ccc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282481 816394294 /nfs/dbraw/zinc/39/42/94/816394294.db2.gz KCBDNMYNRNYADK-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282481 816394302 /nfs/dbraw/zinc/39/43/02/816394302.db2.gz KCBDNMYNRNYADK-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222297291 816399694 /nfs/dbraw/zinc/39/96/94/816399694.db2.gz BYRNMZXPQATQRN-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CCCN2 ZINC001222396277 816432771 /nfs/dbraw/zinc/43/27/71/816432771.db2.gz QGRDCKWZIDDCCM-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)CCCN2 ZINC001222396277 816432774 /nfs/dbraw/zinc/43/27/74/816432774.db2.gz QGRDCKWZIDDCCM-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222427581 816442922 /nfs/dbraw/zinc/44/29/22/816442922.db2.gz SWEMBCJJZYDMSJ-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222427581 816442928 /nfs/dbraw/zinc/44/29/28/816442928.db2.gz SWEMBCJJZYDMSJ-LJQANCHMSA-N 2 2 297.446 3.379 20 0 CGADLP COc1cc(C)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242980605 823198322 /nfs/dbraw/zinc/19/83/22/823198322.db2.gz OHWGPTITMHMSLX-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242980605 823198324 /nfs/dbraw/zinc/19/83/24/823198324.db2.gz OHWGPTITMHMSLX-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614190 816478806 /nfs/dbraw/zinc/47/88/06/816478806.db2.gz BNHRZQARVMUUCG-XHDPSFHLSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614190 816478808 /nfs/dbraw/zinc/47/88/08/816478808.db2.gz BNHRZQARVMUUCG-XHDPSFHLSA-N 2 2 299.245 3.220 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]cc1 ZINC001225290711 816997469 /nfs/dbraw/zinc/99/74/69/816997469.db2.gz GQCRTVKIVBEGPH-CRAIPNDOSA-N 2 2 282.387 3.371 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]cc1 ZINC001225290711 816997477 /nfs/dbraw/zinc/99/74/77/816997477.db2.gz GQCRTVKIVBEGPH-CRAIPNDOSA-N 2 2 282.387 3.371 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1SC ZINC001231787141 818176673 /nfs/dbraw/zinc/17/66/73/818176673.db2.gz KKFARUICYHPOPX-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1SC ZINC001231787141 818176676 /nfs/dbraw/zinc/17/66/76/818176676.db2.gz KKFARUICYHPOPX-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2c(C)cccc2OC)CC1 ZINC001232627857 818405260 /nfs/dbraw/zinc/40/52/60/818405260.db2.gz QGKVAPUTKKBQDP-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@H+](Cc1cccc2ncsc21)C1CC[NH+](C)CC1 ZINC001232733137 818427665 /nfs/dbraw/zinc/42/76/65/818427665.db2.gz MNPAFYXJWCVZMX-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](Cc1cccc2ncsc21)C1CC[NH+](C)CC1 ZINC001232733137 818427666 /nfs/dbraw/zinc/42/76/66/818427666.db2.gz MNPAFYXJWCVZMX-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(F)cc1F ZINC001232784432 818438831 /nfs/dbraw/zinc/43/88/31/818438831.db2.gz MTKQSZKCZFRKMY-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(F)cc1F ZINC001232784432 818438835 /nfs/dbraw/zinc/43/88/35/818438835.db2.gz MTKQSZKCZFRKMY-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP COc1cc(C[N@H+](C)CC2CCC2)ccc1-n1cc[nH+]c1 ZINC001234067428 818771731 /nfs/dbraw/zinc/77/17/31/818771731.db2.gz UNVZLONZQOENDP-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[N@@H+](C)CC2CCC2)ccc1-n1cc[nH+]c1 ZINC001234067428 818771738 /nfs/dbraw/zinc/77/17/38/818771738.db2.gz UNVZLONZQOENDP-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@@H](C)C[NH+](CC)CC)cc1 ZINC001234587299 818885971 /nfs/dbraw/zinc/88/59/71/818885971.db2.gz ZQTHRHHYKQLZGM-ZDUSSCGKSA-N 2 2 278.396 3.158 20 0 CGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235005342 818975665 /nfs/dbraw/zinc/97/56/65/818975665.db2.gz FZIMPGCYHXCLJD-PKOBYXMFSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235005342 818975688 /nfs/dbraw/zinc/97/56/88/818975688.db2.gz FZIMPGCYHXCLJD-PKOBYXMFSA-N 2 2 296.389 3.286 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235005030 818976036 /nfs/dbraw/zinc/97/60/36/818976036.db2.gz VTIBLAHPQYGTCT-CCKFTAQKSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235005030 818976042 /nfs/dbraw/zinc/97/60/42/818976042.db2.gz VTIBLAHPQYGTCT-CCKFTAQKSA-N 2 2 280.415 3.380 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235004632 818976819 /nfs/dbraw/zinc/97/68/19/818976819.db2.gz BQKFONKDNJGVRZ-SWLSCSKDSA-N 2 2 272.417 3.003 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235004632 818976824 /nfs/dbraw/zinc/97/68/24/818976824.db2.gz BQKFONKDNJGVRZ-SWLSCSKDSA-N 2 2 272.417 3.003 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235114550 819008504 /nfs/dbraw/zinc/00/85/04/819008504.db2.gz MHTBGVLGTDIZCY-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235114550 819008508 /nfs/dbraw/zinc/00/85/08/819008508.db2.gz MHTBGVLGTDIZCY-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113481 819009380 /nfs/dbraw/zinc/00/93/80/819009380.db2.gz CMXMPDCEUFVQOA-ROUUACIJSA-N 2 2 294.483 3.213 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113481 819009382 /nfs/dbraw/zinc/00/93/82/819009382.db2.gz CMXMPDCEUFVQOA-ROUUACIJSA-N 2 2 294.483 3.213 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120436 819010574 /nfs/dbraw/zinc/01/05/74/819010574.db2.gz BLSZTJKLEBITAW-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235120436 819010577 /nfs/dbraw/zinc/01/05/77/819010577.db2.gz BLSZTJKLEBITAW-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)o1 ZINC001235121395 819012390 /nfs/dbraw/zinc/01/23/90/819012390.db2.gz DCZODVLSPHQTGF-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)o1 ZINC001235121395 819012398 /nfs/dbraw/zinc/01/23/98/819012398.db2.gz DCZODVLSPHQTGF-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235192880 819033047 /nfs/dbraw/zinc/03/30/47/819033047.db2.gz GGJSUTQATYTALI-ZIAGYGMSSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235192880 819033054 /nfs/dbraw/zinc/03/30/54/819033054.db2.gz GGJSUTQATYTALI-ZIAGYGMSSA-N 2 2 298.352 3.055 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235236230 819043188 /nfs/dbraw/zinc/04/31/88/819043188.db2.gz VTIBLAHPQYGTCT-KYNGSXCRSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21)c1cccc2ccccc21 ZINC001235236230 819043193 /nfs/dbraw/zinc/04/31/93/819043193.db2.gz VTIBLAHPQYGTCT-KYNGSXCRSA-N 2 2 280.415 3.380 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC001235258981 819054234 /nfs/dbraw/zinc/05/42/34/819054234.db2.gz CMWJOTCXPNOPRD-ZBFHGGJFSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC001235258981 819054239 /nfs/dbraw/zinc/05/42/39/819054239.db2.gz CMWJOTCXPNOPRD-ZBFHGGJFSA-N 2 2 278.827 3.141 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235260758 819055963 /nfs/dbraw/zinc/05/59/63/819055963.db2.gz HJCSBPUUJIKGGJ-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235260758 819055969 /nfs/dbraw/zinc/05/59/69/819055969.db2.gz HJCSBPUUJIKGGJ-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235343664 819073571 /nfs/dbraw/zinc/07/35/71/819073571.db2.gz WZTQNAIBOZJWRA-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235343664 819073577 /nfs/dbraw/zinc/07/35/77/819073577.db2.gz WZTQNAIBOZJWRA-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405122 819087820 /nfs/dbraw/zinc/08/78/20/819087820.db2.gz NUHPSUNOBWLVQH-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405122 819087821 /nfs/dbraw/zinc/08/78/21/819087821.db2.gz NUHPSUNOBWLVQH-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1Cl ZINC001235677343 819138829 /nfs/dbraw/zinc/13/88/29/819138829.db2.gz ZWAQHCRWAGKNAX-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1Cl ZINC001235677343 819138831 /nfs/dbraw/zinc/13/88/31/819138831.db2.gz ZWAQHCRWAGKNAX-NSHDSACASA-N 2 2 287.234 3.473 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001235828914 819178469 /nfs/dbraw/zinc/17/84/69/819178469.db2.gz MBJJZZVYJRJWGU-CRAIPNDOSA-N 2 2 274.452 3.282 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001235828914 819178473 /nfs/dbraw/zinc/17/84/73/819178473.db2.gz MBJJZZVYJRJWGU-CRAIPNDOSA-N 2 2 274.452 3.282 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235909133 819216954 /nfs/dbraw/zinc/21/69/54/819216954.db2.gz ZNPMUBJNCAZTJI-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235909133 819216959 /nfs/dbraw/zinc/21/69/59/819216959.db2.gz ZNPMUBJNCAZTJI-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001235918864 819221074 /nfs/dbraw/zinc/22/10/74/819221074.db2.gz MZPRONWMAWXRIY-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001235918864 819221080 /nfs/dbraw/zinc/22/10/80/819221080.db2.gz MZPRONWMAWXRIY-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP Clc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235930287 819228008 /nfs/dbraw/zinc/22/80/08/819228008.db2.gz VPWBQMXNCDITFB-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235930287 819228014 /nfs/dbraw/zinc/22/80/14/819228014.db2.gz VPWBQMXNCDITFB-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C)c1Br ZINC001235946911 819236402 /nfs/dbraw/zinc/23/64/02/819236402.db2.gz CVDIFJDVOSTWHC-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C)c1Br ZINC001235946911 819236415 /nfs/dbraw/zinc/23/64/15/819236415.db2.gz CVDIFJDVOSTWHC-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235948069 819237308 /nfs/dbraw/zinc/23/73/08/819237308.db2.gz RTSYPZREIDWTPH-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](CC[NH3+])C(C)C ZINC001235948069 819237312 /nfs/dbraw/zinc/23/73/12/819237312.db2.gz RTSYPZREIDWTPH-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1csc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235951360 819241766 /nfs/dbraw/zinc/24/17/66/819241766.db2.gz RHARXTIUPFVEBM-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP Cc1csc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235951360 819241773 /nfs/dbraw/zinc/24/17/73/819241773.db2.gz RHARXTIUPFVEBM-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981701 819257969 /nfs/dbraw/zinc/25/79/69/819257969.db2.gz RYQDXUDIFBDVQW-DNVCBOLYSA-N 2 2 296.414 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981701 819257974 /nfs/dbraw/zinc/25/79/74/819257974.db2.gz RYQDXUDIFBDVQW-DNVCBOLYSA-N 2 2 296.414 3.162 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC001236004688 819270695 /nfs/dbraw/zinc/27/06/95/819270695.db2.gz IDADIKGOEOJNOV-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC001236004688 819270702 /nfs/dbraw/zinc/27/07/02/819270702.db2.gz IDADIKGOEOJNOV-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCC[NH2+][C@@H](C)C3)c2)cc1 ZINC001236100113 819318317 /nfs/dbraw/zinc/31/83/17/819318317.db2.gz DWLPLGJOKODEPR-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CCC[NH2+][C@@H](C)C3)c2)cc1 ZINC001236100113 819318326 /nfs/dbraw/zinc/31/83/26/819318326.db2.gz DWLPLGJOKODEPR-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC001236119477 819328105 /nfs/dbraw/zinc/32/81/05/819328105.db2.gz UXMYRUQRXMZHQG-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC001236119477 819328113 /nfs/dbraw/zinc/32/81/13/819328113.db2.gz UXMYRUQRXMZHQG-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(C(C)C)c1 ZINC001236144879 819345365 /nfs/dbraw/zinc/34/53/65/819345365.db2.gz WGQXPKHARMGZOZ-UHFFFAOYSA-N 2 2 254.805 3.244 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(C(C)C)c1 ZINC001236144879 819345369 /nfs/dbraw/zinc/34/53/69/819345369.db2.gz WGQXPKHARMGZOZ-UHFFFAOYSA-N 2 2 254.805 3.244 20 0 CGADLP CC(C)[N@@H+](CCC(=O)c1ccc2ccccc2c1)C[C@@H](C)[NH3+] ZINC001236160068 819350027 /nfs/dbraw/zinc/35/00/27/819350027.db2.gz BTKZWGVDSFTHPQ-OAHLLOKOSA-N 2 2 298.430 3.470 20 0 CGADLP CC(C)[N@H+](CCC(=O)c1ccc2ccccc2c1)C[C@@H](C)[NH3+] ZINC001236160068 819350032 /nfs/dbraw/zinc/35/00/32/819350032.db2.gz BTKZWGVDSFTHPQ-OAHLLOKOSA-N 2 2 298.430 3.470 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212964 819373862 /nfs/dbraw/zinc/37/38/62/819373862.db2.gz MWFUFOCXXCDFPW-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212964 819373870 /nfs/dbraw/zinc/37/38/70/819373870.db2.gz MWFUFOCXXCDFPW-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215731 819380638 /nfs/dbraw/zinc/38/06/38/819380638.db2.gz IKIYECYMPXILKN-ZIAGYGMSSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215731 819380640 /nfs/dbraw/zinc/38/06/40/819380640.db2.gz IKIYECYMPXILKN-ZIAGYGMSSA-N 2 2 264.438 3.110 20 0 CGADLP C[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216707 819380755 /nfs/dbraw/zinc/38/07/55/819380755.db2.gz LSJOVDDACQKXSW-LSDHHAIUSA-N 2 2 275.371 3.009 20 0 CGADLP C[N@@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216707 819380763 /nfs/dbraw/zinc/38/07/63/819380763.db2.gz LSJOVDDACQKXSW-LSDHHAIUSA-N 2 2 275.371 3.009 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236218024 819383760 /nfs/dbraw/zinc/38/37/60/819383760.db2.gz QZSVIDAMRXLBOA-WBVHZDCISA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236218024 819383766 /nfs/dbraw/zinc/38/37/66/819383766.db2.gz QZSVIDAMRXLBOA-WBVHZDCISA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219432 819385585 /nfs/dbraw/zinc/38/55/85/819385585.db2.gz WDDDHURVCOPHMN-SJORKVTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219432 819385591 /nfs/dbraw/zinc/38/55/91/819385591.db2.gz WDDDHURVCOPHMN-SJORKVTESA-N 2 2 290.451 3.484 20 0 CGADLP Fc1ccc2[nH]cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236236746 819396682 /nfs/dbraw/zinc/39/66/82/819396682.db2.gz MKQAWGSQNBZCAZ-OAHLLOKOSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236236746 819396685 /nfs/dbraw/zinc/39/66/85/819396685.db2.gz MKQAWGSQNBZCAZ-OAHLLOKOSA-N 2 2 287.382 3.023 20 0 CGADLP COc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236235399 819397348 /nfs/dbraw/zinc/39/73/48/819397348.db2.gz ABCRVAUHDUXXNE-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP COc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001236235399 819397356 /nfs/dbraw/zinc/39/73/56/819397356.db2.gz ABCRVAUHDUXXNE-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236417923 819463897 /nfs/dbraw/zinc/46/38/97/819463897.db2.gz FXQMWFJJMZJHPF-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236417923 819463901 /nfs/dbraw/zinc/46/39/01/819463901.db2.gz FXQMWFJJMZJHPF-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc(C)c1OC(C)C ZINC001236420919 819466828 /nfs/dbraw/zinc/46/68/28/819466828.db2.gz RCBWQWXUBTZLOB-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc(C)c1OC(C)C ZINC001236420919 819466833 /nfs/dbraw/zinc/46/68/33/819466833.db2.gz RCBWQWXUBTZLOB-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434321 819476825 /nfs/dbraw/zinc/47/68/25/819476825.db2.gz QNNFNIYAMFIWJN-GWCFXTLKSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434321 819476827 /nfs/dbraw/zinc/47/68/27/819476827.db2.gz QNNFNIYAMFIWJN-GWCFXTLKSA-N 2 2 288.313 3.069 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236434654 819478187 /nfs/dbraw/zinc/47/81/87/819478187.db2.gz ODGBCOUJISGCND-MRXNPFEDSA-N 2 2 290.407 3.288 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236434654 819478189 /nfs/dbraw/zinc/47/81/89/819478189.db2.gz ODGBCOUJISGCND-MRXNPFEDSA-N 2 2 290.407 3.288 20 0 CGADLP CCc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc(CC)c1O ZINC001236527930 819519037 /nfs/dbraw/zinc/51/90/37/819519037.db2.gz IUWILGAQANQGKW-KRWDZBQOSA-N 2 2 290.451 3.089 20 0 CGADLP CCc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc(CC)c1O ZINC001236527930 819519042 /nfs/dbraw/zinc/51/90/42/819519042.db2.gz IUWILGAQANQGKW-KRWDZBQOSA-N 2 2 290.451 3.089 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(O)c2)CC1 ZINC001236715298 819579885 /nfs/dbraw/zinc/57/98/85/819579885.db2.gz WXIMVPQFHOBSCH-UHFFFAOYSA-N 2 2 294.414 3.228 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204841 819697645 /nfs/dbraw/zinc/69/76/45/819697645.db2.gz UPBZJSLSPIXUOP-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204841 819697648 /nfs/dbraw/zinc/69/76/48/819697648.db2.gz UPBZJSLSPIXUOP-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237386779 819739640 /nfs/dbraw/zinc/73/96/40/819739640.db2.gz AHIHMQHDKDFOMN-BBRMVZONSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237386779 819739647 /nfs/dbraw/zinc/73/96/47/819739647.db2.gz AHIHMQHDKDFOMN-BBRMVZONSA-N 2 2 278.827 3.222 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC001237740905 819830749 /nfs/dbraw/zinc/83/07/49/819830749.db2.gz ZGECCOYBZRBGAJ-KRWDZBQOSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC001237740905 819830753 /nfs/dbraw/zinc/83/07/53/819830753.db2.gz ZGECCOYBZRBGAJ-KRWDZBQOSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC001237740905 819830759 /nfs/dbraw/zinc/83/07/59/819830759.db2.gz ZGECCOYBZRBGAJ-KRWDZBQOSA-N 2 2 292.854 3.430 20 0 CGADLP CCc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC001237740905 819830764 /nfs/dbraw/zinc/83/07/64/819830764.db2.gz ZGECCOYBZRBGAJ-KRWDZBQOSA-N 2 2 292.854 3.430 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)Cc3ccno3)cc21 ZINC001237890163 819873825 /nfs/dbraw/zinc/87/38/25/819873825.db2.gz UDOSUAOQTMVIHU-UHFFFAOYSA-N 2 2 297.402 3.308 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)Cc3ccno3)cc21 ZINC001237890163 819873837 /nfs/dbraw/zinc/87/38/37/819873837.db2.gz UDOSUAOQTMVIHU-UHFFFAOYSA-N 2 2 297.402 3.308 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001238114708 819937952 /nfs/dbraw/zinc/93/79/52/819937952.db2.gz VMRYXAYPIFZDKL-SFHVURJKSA-N 2 2 292.386 3.457 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C3CC3)c(C)c2)CC1 ZINC001238618368 820063174 /nfs/dbraw/zinc/06/31/74/820063174.db2.gz RGDONPBARGAUSG-UHFFFAOYSA-N 2 2 287.451 3.184 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C3CC3)c(C)c2)CC1 ZINC001238618368 820063183 /nfs/dbraw/zinc/06/31/83/820063183.db2.gz RGDONPBARGAUSG-UHFFFAOYSA-N 2 2 287.451 3.184 20 0 CGADLP CCOc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239559835 820412368 /nfs/dbraw/zinc/41/23/68/820412368.db2.gz FOLTVJBCPUCSBW-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239559835 820412374 /nfs/dbraw/zinc/41/23/74/820412374.db2.gz FOLTVJBCPUCSBW-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1cc(-c2cccc(N3CC[NH+](C)CC3)c2)cc(C)[nH+]1 ZINC001243667818 823481012 /nfs/dbraw/zinc/48/10/12/823481012.db2.gz DZGCXEDEZYJIAY-UHFFFAOYSA-N 2 2 281.403 3.117 20 0 CGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC001239828066 820644759 /nfs/dbraw/zinc/64/47/59/820644759.db2.gz WZWHLKOYEYSUBL-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC001239828066 820644764 /nfs/dbraw/zinc/64/47/64/820644764.db2.gz WZWHLKOYEYSUBL-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP Fc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1-n1cc[nH+]c1 ZINC001240459050 821072889 /nfs/dbraw/zinc/07/28/89/821072889.db2.gz SICIADWUWKAPJP-UHFFFAOYSA-N 2 2 293.345 3.324 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713124 821268613 /nfs/dbraw/zinc/26/86/13/821268613.db2.gz XYBONRXYCUZOSV-OAHLLOKOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713124 821268619 /nfs/dbraw/zinc/26/86/19/821268619.db2.gz XYBONRXYCUZOSV-OAHLLOKOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3cc[nH]c3c2)C1 ZINC001240797580 821340617 /nfs/dbraw/zinc/34/06/17/821340617.db2.gz KSTAXDXYCQDTML-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cc[nH]c3c2)C1 ZINC001240797580 821340623 /nfs/dbraw/zinc/34/06/23/821340623.db2.gz KSTAXDXYCQDTML-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C ZINC001240865309 821381363 /nfs/dbraw/zinc/38/13/63/821381363.db2.gz MNMHZPKNRQUURA-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C ZINC001240865309 821381373 /nfs/dbraw/zinc/38/13/73/821381373.db2.gz MNMHZPKNRQUURA-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CC[NH+](CC)Cc1cc(C)ccc1-c1cc[nH+]c(N)c1 ZINC001241176219 821618675 /nfs/dbraw/zinc/61/86/75/821618675.db2.gz VUIRDXLBEZVZEB-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2cc[nH+]c(N)c2)ccc1F ZINC001241176248 821618872 /nfs/dbraw/zinc/61/88/72/821618872.db2.gz WVUUDHDGWLZTRA-UHFFFAOYSA-N 2 2 273.355 3.312 20 0 CGADLP C=Cc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242008355 822272910 /nfs/dbraw/zinc/27/29/10/822272910.db2.gz MXLLDWHCRYLYNB-UHFFFAOYSA-N 2 2 275.355 3.331 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001349636216 936955623 /nfs/dbraw/zinc/95/56/23/936955623.db2.gz HHPQOIPUWCDBMJ-IEBWSBKVSA-N 2 2 295.430 3.364 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001349636216 936955626 /nfs/dbraw/zinc/95/56/26/936955626.db2.gz HHPQOIPUWCDBMJ-IEBWSBKVSA-N 2 2 295.430 3.364 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(CC)CC ZINC001351320112 937014634 /nfs/dbraw/zinc/01/46/34/937014634.db2.gz KXPZMTCAZJVBCH-LSDHHAIUSA-N 2 2 279.428 3.100 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163468506 932002999 /nfs/dbraw/zinc/00/29/99/932002999.db2.gz VZAOQXHAHGXVNC-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000163468506 932003002 /nfs/dbraw/zinc/00/30/02/932003002.db2.gz VZAOQXHAHGXVNC-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC([NH2+]CC[N@H+]2CCC[C@H](C)C2)C[C@H](C)C1 ZINC001461045507 937559826 /nfs/dbraw/zinc/55/98/26/937559826.db2.gz QMDPEPFMFFVGBT-RRFJBIMHSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1CC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)C1 ZINC001461045507 937559828 /nfs/dbraw/zinc/55/98/28/937559828.db2.gz QMDPEPFMFFVGBT-RRFJBIMHSA-N 2 2 252.446 3.133 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)c1 ZINC001308053189 933041318 /nfs/dbraw/zinc/04/13/18/933041318.db2.gz QKPLVGQPMSJQPP-QZTJIDSGSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)c1 ZINC001308053189 933041320 /nfs/dbraw/zinc/04/13/20/933041320.db2.gz QKPLVGQPMSJQPP-QZTJIDSGSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c(C)c1 ZINC001308053189 933041324 /nfs/dbraw/zinc/04/13/24/933041324.db2.gz QKPLVGQPMSJQPP-QZTJIDSGSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c(C)c1 ZINC001308053189 933041327 /nfs/dbraw/zinc/04/13/27/933041327.db2.gz QKPLVGQPMSJQPP-QZTJIDSGSA-N 2 2 272.436 3.280 20 0 CGADLP CC[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166421 933062774 /nfs/dbraw/zinc/06/27/74/933062774.db2.gz XDKIAWWOVZZYOX-GJZGRUSLSA-N 2 2 293.455 3.243 20 0 CGADLP CC[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166421 933062777 /nfs/dbraw/zinc/06/27/77/933062777.db2.gz XDKIAWWOVZZYOX-GJZGRUSLSA-N 2 2 293.455 3.243 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001308548441 933129294 /nfs/dbraw/zinc/12/92/94/933129294.db2.gz SXHAVRFHZOOXRJ-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001308548441 933129296 /nfs/dbraw/zinc/12/92/96/933129296.db2.gz SXHAVRFHZOOXRJ-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001308920167 933204602 /nfs/dbraw/zinc/20/46/02/933204602.db2.gz WNDXSKFLIDFYGT-ZHALLVOQSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308920167 933204608 /nfs/dbraw/zinc/20/46/08/933204608.db2.gz WNDXSKFLIDFYGT-ZHALLVOQSA-N 2 2 284.447 3.453 20 0 CGADLP Cc1cc(N(C)CC2CC[NH+](C)CC2)[nH+]c2ccccc12 ZINC001318256395 933702138 /nfs/dbraw/zinc/70/21/38/933702138.db2.gz JAQSDHVTFBYCHR-UHFFFAOYSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC12CCCC2 ZINC001318891427 933793707 /nfs/dbraw/zinc/79/37/07/933793707.db2.gz ZDGPCZGQVUHOMH-ZDUSSCGKSA-N 2 2 296.374 3.095 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001319471142 933881584 /nfs/dbraw/zinc/88/15/84/933881584.db2.gz LDJDQVLPWXEPCW-KRWDZBQOSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC1(C)C ZINC001324122350 934462568 /nfs/dbraw/zinc/46/25/68/934462568.db2.gz VOGNXELZYBXSJU-CYBMUJFWSA-N 2 2 298.390 3.341 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccccc1Br ZINC001326035505 934946006 /nfs/dbraw/zinc/94/60/06/934946006.db2.gz KCSOZJVZBMJEDM-QWRGUYRKSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001328676818 935158613 /nfs/dbraw/zinc/15/86/13/935158613.db2.gz HOQNONXREUETGL-JTQLQIEISA-N 2 2 266.772 3.174 20 0 CGADLP Cc1cc([NH2+]C2CC3(CCC3)C2)ccc1N1CC[NH+](C)CC1 ZINC001330867942 935330390 /nfs/dbraw/zinc/33/03/90/935330390.db2.gz QYLDHKGKEDTBOA-UHFFFAOYSA-N 2 2 299.462 3.491 20 0 CGADLP CCc1onc(C)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001334935804 936123130 /nfs/dbraw/zinc/12/31/30/936123130.db2.gz MMZFDUOJUWELBO-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC001336722739 936210563 /nfs/dbraw/zinc/21/05/63/936210563.db2.gz UBMYLMCHQSTWBJ-AWEZNQCLSA-N 2 2 282.428 3.134 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001473895074 937828207 /nfs/dbraw/zinc/82/82/07/937828207.db2.gz ZCYSGEOUGLKGAD-UHFFFAOYSA-N 2 2 273.424 3.180 20 0 CGADLP Cc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)c(C)[nH+]1 ZINC001474079342 937839142 /nfs/dbraw/zinc/83/91/42/937839142.db2.gz JDIMWVFYKIZZQF-UHFFFAOYSA-N 2 2 299.418 3.251 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC001548835122 938152095 /nfs/dbraw/zinc/15/20/95/938152095.db2.gz ILPMVQCVVVZFFR-IKGGRYGDSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC001548835122 938152096 /nfs/dbraw/zinc/15/20/96/938152096.db2.gz ILPMVQCVVVZFFR-IKGGRYGDSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC001550621421 938168976 /nfs/dbraw/zinc/16/89/76/938168976.db2.gz JLSYPZYORPLZFW-IAGOWNOFSA-N 2 2 295.430 3.330 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001550621421 938168977 /nfs/dbraw/zinc/16/89/77/938168977.db2.gz JLSYPZYORPLZFW-IAGOWNOFSA-N 2 2 295.430 3.330 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])C1CCC(F)(F)CC1 ZINC001551378821 938180655 /nfs/dbraw/zinc/18/06/55/938180655.db2.gz SRFBQZFQNYFDEP-UVBJJODRSA-N 2 2 294.389 3.415 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001551378362 938180737 /nfs/dbraw/zinc/18/07/37/938180737.db2.gz OWIXYDYYJWOGSR-YQWPXRDNSA-N 2 2 280.362 3.025 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001551401729 938181803 /nfs/dbraw/zinc/18/18/03/938181803.db2.gz JSGCJDXBPSARNY-HOTGVXAUSA-N 2 2 272.779 3.054 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001552313350 938191016 /nfs/dbraw/zinc/19/10/16/938191016.db2.gz GBLDQADLUQPDQT-FZKCQIBNSA-N 2 2 268.420 3.121 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001552313350 938191017 /nfs/dbraw/zinc/19/10/17/938191017.db2.gz GBLDQADLUQPDQT-FZKCQIBNSA-N 2 2 268.420 3.121 20 0 CGADLP Cc1ccc([C@H](CF)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC001553291555 938197954 /nfs/dbraw/zinc/19/79/54/938197954.db2.gz OQKQUVZALFHKOT-HOTGVXAUSA-N 2 2 278.415 3.373 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001560113644 938244117 /nfs/dbraw/zinc/24/41/17/938244117.db2.gz OMGCSAKDMSUPAH-WMZOPIPTSA-N 2 2 296.499 3.436 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001560113644 938244118 /nfs/dbraw/zinc/24/41/18/938244118.db2.gz OMGCSAKDMSUPAH-WMZOPIPTSA-N 2 2 296.499 3.436 20 0 CGADLP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001578676872 962596919 /nfs/dbraw/zinc/59/69/19/962596919.db2.gz QXWUWESZWJKVCD-AWEZNQCLSA-N 2 2 296.842 3.313 20 0 CGADLP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001578676872 962596929 /nfs/dbraw/zinc/59/69/29/962596929.db2.gz QXWUWESZWJKVCD-AWEZNQCLSA-N 2 2 296.842 3.313 20 0 CGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC001579551494 962635151 /nfs/dbraw/zinc/63/51/51/962635151.db2.gz MESUTHICZCUNFU-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC001579551494 962635156 /nfs/dbraw/zinc/63/51/56/962635156.db2.gz MESUTHICZCUNFU-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP Clc1cccc2c1CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC001579939011 962690664 /nfs/dbraw/zinc/69/06/64/962690664.db2.gz RYEUMMRBQVKRDY-ZDUSSCGKSA-N 2 2 278.827 3.088 20 0 CGADLP Clc1cccc2c1CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC001579939011 962690674 /nfs/dbraw/zinc/69/06/74/962690674.db2.gz RYEUMMRBQVKRDY-ZDUSSCGKSA-N 2 2 278.827 3.088 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC001580131939 962701063 /nfs/dbraw/zinc/70/10/63/962701063.db2.gz JSRQTXBQBQRIKO-KRWDZBQOSA-N 2 2 277.371 3.024 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCC2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001580395649 962713807 /nfs/dbraw/zinc/71/38/07/962713807.db2.gz SJURDVIBLUHZRZ-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001580395649 962713816 /nfs/dbraw/zinc/71/38/16/962713816.db2.gz SJURDVIBLUHZRZ-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891228 962740760 /nfs/dbraw/zinc/74/07/60/962740760.db2.gz VZSIIFXBNFZQAQ-MSOLQXFVSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891228 962740781 /nfs/dbraw/zinc/74/07/81/962740781.db2.gz VZSIIFXBNFZQAQ-MSOLQXFVSA-N 2 2 299.462 3.151 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)oc1C ZINC000337396291 214053627 /nfs/dbraw/zinc/05/36/27/214053627.db2.gz NHFCJWCZJHYYDE-CQSZACIVSA-N 2 2 264.413 3.423 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337418364 214069447 /nfs/dbraw/zinc/06/94/47/214069447.db2.gz DVDWMCHFNIXTSG-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337418364 214069448 /nfs/dbraw/zinc/06/94/48/214069448.db2.gz DVDWMCHFNIXTSG-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000037786302 260118236 /nfs/dbraw/zinc/11/82/36/260118236.db2.gz AXPFRFRIRWYESQ-UHFFFAOYSA-N 2 2 282.378 3.317 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000352724679 282090752 /nfs/dbraw/zinc/09/07/52/282090752.db2.gz NIMCDCMYHBFSNI-HUUCEWRRSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000352724679 282090754 /nfs/dbraw/zinc/09/07/54/282090754.db2.gz NIMCDCMYHBFSNI-HUUCEWRRSA-N 2 2 269.392 3.407 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCC2 ZINC000289967978 197546033 /nfs/dbraw/zinc/54/60/33/197546033.db2.gz BPMBKEVFZGSSTH-IRXDYDNUSA-N 2 2 288.435 3.260 20 0 CGADLP C[N@H+](Cc1ccoc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337628089 214187171 /nfs/dbraw/zinc/18/71/71/214187171.db2.gz LQWAVVQSZWFGCQ-UHFFFAOYSA-N 2 2 267.332 3.097 20 0 CGADLP C[N@@H+](Cc1ccoc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337628089 214187175 /nfs/dbraw/zinc/18/71/75/214187175.db2.gz LQWAVVQSZWFGCQ-UHFFFAOYSA-N 2 2 267.332 3.097 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863321 398297450 /nfs/dbraw/zinc/29/74/50/398297450.db2.gz CZVPCAFNPCTFEN-BLLLJJGKSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863321 398297455 /nfs/dbraw/zinc/29/74/55/398297455.db2.gz CZVPCAFNPCTFEN-BLLLJJGKSA-N 2 2 286.444 3.474 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)n1C ZINC000515312623 282156837 /nfs/dbraw/zinc/15/68/37/282156837.db2.gz NUQYYAHIZFMIPS-INIZCTEOSA-N 2 2 291.345 3.174 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1ccncc1F)C1CCCCC1 ZINC000651910380 398304873 /nfs/dbraw/zinc/30/48/73/398304873.db2.gz RCFJWDGXCFTGCR-UHFFFAOYSA-N 2 2 293.430 3.355 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1ccncc1F)C1CCCCC1 ZINC000651910380 398304877 /nfs/dbraw/zinc/30/48/77/398304877.db2.gz RCFJWDGXCFTGCR-UHFFFAOYSA-N 2 2 293.430 3.355 20 0 CGADLP CC[C@H](F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000440501392 529436463 /nfs/dbraw/zinc/43/64/63/529436463.db2.gz CZHUYMRRAROZJY-HNNXBMFYSA-N 2 2 267.392 3.123 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CC[NH2+]C ZINC000423225187 529498595 /nfs/dbraw/zinc/49/85/95/529498595.db2.gz LQWUUEVQTKBGGD-GFCCVEGCSA-N 2 2 260.381 3.174 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423329137 529498703 /nfs/dbraw/zinc/49/87/03/529498703.db2.gz ONULSKMTJCBUSF-VXGBXAGGSA-N 2 2 260.381 3.301 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437109071 529540002 /nfs/dbraw/zinc/54/00/02/529540002.db2.gz HFIIEDQLFFDEIT-KRWDZBQOSA-N 2 2 274.452 3.390 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423461077 529567757 /nfs/dbraw/zinc/56/77/57/529567757.db2.gz JHPZANIHMVJXNP-GXTWGEPZSA-N 2 2 258.365 3.335 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423475125 529569326 /nfs/dbraw/zinc/56/93/26/529569326.db2.gz RODCVIJJXRIZKK-TZMCWYRMSA-N 2 2 260.381 3.438 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCCC1 ZINC000437109400 529591853 /nfs/dbraw/zinc/59/18/53/529591853.db2.gz WYJVXGLBWGCSQO-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CCc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364232910 529579548 /nfs/dbraw/zinc/57/95/48/529579548.db2.gz BZADCHWSNDJIGI-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423499922 529611916 /nfs/dbraw/zinc/61/19/16/529611916.db2.gz JXMHQHQURTYIEM-WBMJQRKESA-N 2 2 287.382 3.134 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423508929 529612064 /nfs/dbraw/zinc/61/20/64/529612064.db2.gz RGCJUTLYWPHVPC-PXAZEXFGSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@@H]1C[C@H]1C ZINC000414118802 529614572 /nfs/dbraw/zinc/61/45/72/529614572.db2.gz VUJVULNOUVGOBM-BEAPCOKYSA-N 2 2 261.413 3.093 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccco1 ZINC000423497364 529617297 /nfs/dbraw/zinc/61/72/97/529617297.db2.gz GVLFIRNEAHGACZ-IUODEOHRSA-N 2 2 258.365 3.193 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423542315 529655696 /nfs/dbraw/zinc/65/56/96/529655696.db2.gz ASKLSXCGXQWOIS-HIFRSBDPSA-N 2 2 298.377 3.471 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405701 349800792 /nfs/dbraw/zinc/80/07/92/349800792.db2.gz VPUXHHFXYUWRCT-ZBFHGGJFSA-N 2 2 288.435 3.199 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405701 349800794 /nfs/dbraw/zinc/80/07/94/349800794.db2.gz VPUXHHFXYUWRCT-ZBFHGGJFSA-N 2 2 288.435 3.199 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177179548 529723824 /nfs/dbraw/zinc/72/38/24/529723824.db2.gz PMTFMCIYZGXKFC-GUYCJALGSA-N 2 2 260.425 3.240 20 0 CGADLP FCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000295025747 199305943 /nfs/dbraw/zinc/30/59/43/199305943.db2.gz LDPRFCDKKFNAPS-UHFFFAOYSA-N 2 2 273.355 3.054 20 0 CGADLP COCC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486800 349818466 /nfs/dbraw/zinc/81/84/66/349818466.db2.gz IWYTUWJCEIJQAK-HUUCEWRRSA-N 2 2 294.439 3.128 20 0 CGADLP COCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486800 349818468 /nfs/dbraw/zinc/81/84/68/349818468.db2.gz IWYTUWJCEIJQAK-HUUCEWRRSA-N 2 2 294.439 3.128 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1(C)C ZINC000623554536 349832197 /nfs/dbraw/zinc/83/21/97/349832197.db2.gz CVYLBTRUQJGMCP-UXLLHSPISA-N 2 2 276.399 3.086 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1(C)C ZINC000623554536 349832199 /nfs/dbraw/zinc/83/21/99/349832199.db2.gz CVYLBTRUQJGMCP-UXLLHSPISA-N 2 2 276.399 3.086 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000623562059 349835936 /nfs/dbraw/zinc/83/59/36/349835936.db2.gz GKZNVASVNRMWIN-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000623562059 349835937 /nfs/dbraw/zinc/83/59/37/349835937.db2.gz GKZNVASVNRMWIN-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)n1C ZINC000425329368 529807206 /nfs/dbraw/zinc/80/72/06/529807206.db2.gz TZHXPBKLNSVSSJ-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)n1C ZINC000425329368 529807207 /nfs/dbraw/zinc/80/72/07/529807207.db2.gz TZHXPBKLNSVSSJ-MRXNPFEDSA-N 2 2 290.455 3.031 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128085810 187349986 /nfs/dbraw/zinc/34/99/86/187349986.db2.gz GTMYUZBZTDZDKP-GVXVVHGQSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128085810 187349987 /nfs/dbraw/zinc/34/99/87/187349987.db2.gz GTMYUZBZTDZDKP-GVXVVHGQSA-N 2 2 280.362 3.241 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2scnc21)C(C)(C)C ZINC000623894991 349908023 /nfs/dbraw/zinc/90/80/23/349908023.db2.gz HLHLTTLWIYEOCP-JSGCOSHPSA-N 2 2 295.496 3.477 20 0 CGADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000423228222 529979318 /nfs/dbraw/zinc/97/93/18/529979318.db2.gz YVEUNYIACZQUCJ-CQSZACIVSA-N 2 2 254.805 3.236 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000480272310 534972601 /nfs/dbraw/zinc/97/26/01/534972601.db2.gz COKXNRRQEACVOJ-DOTOQJQBSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1C ZINC000044353312 345009240 /nfs/dbraw/zinc/00/92/40/345009240.db2.gz RMEHGLUSJGWRLZ-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP CCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353235 345009393 /nfs/dbraw/zinc/00/93/93/345009393.db2.gz QJVZULOQRQATKP-UHFFFAOYSA-N 2 2 257.381 3.016 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353297 345009460 /nfs/dbraw/zinc/00/94/60/345009460.db2.gz BBOHGBKJLUBCSA-UHFFFAOYSA-N 2 2 297.324 3.472 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000044535073 345013295 /nfs/dbraw/zinc/01/32/95/345013295.db2.gz ZMMUNDYXXKULLU-QAPCUYQASA-N 2 2 284.403 3.300 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccco2)c2ccccc2)C1 ZINC000044535073 345013297 /nfs/dbraw/zinc/01/32/97/345013297.db2.gz ZMMUNDYXXKULLU-QAPCUYQASA-N 2 2 284.403 3.300 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133461940 232198631 /nfs/dbraw/zinc/19/86/31/232198631.db2.gz OGMSXUNJXQRBLJ-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133461940 232198635 /nfs/dbraw/zinc/19/86/35/232198635.db2.gz OGMSXUNJXQRBLJ-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000295118110 199354237 /nfs/dbraw/zinc/35/42/37/199354237.db2.gz WHQIYVWSDIEAHO-SFHVURJKSA-N 2 2 297.402 3.059 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000295118110 199354239 /nfs/dbraw/zinc/35/42/39/199354239.db2.gz WHQIYVWSDIEAHO-SFHVURJKSA-N 2 2 297.402 3.059 20 0 CGADLP COc1cccc2c(N[C@H](C)C3CC[NH+](C)CC3)cc[nH+]c12 ZINC000623969178 349932428 /nfs/dbraw/zinc/93/24/28/349932428.db2.gz XUUZYLLYUKGGLO-CYBMUJFWSA-N 2 2 299.418 3.386 20 0 CGADLP C[C@H](CCNc1cccc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000080671386 345682885 /nfs/dbraw/zinc/68/28/85/345682885.db2.gz YBTOCWLIUSQCSE-OAHLLOKOSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@H](CCNc1cccc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000080671386 345682887 /nfs/dbraw/zinc/68/28/87/345682887.db2.gz YBTOCWLIUSQCSE-OAHLLOKOSA-N 2 2 269.392 3.404 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1ccncc1Cl)C1CCCCC1 ZINC000088781205 345765355 /nfs/dbraw/zinc/76/53/55/345765355.db2.gz IMXXOVGSNAILQQ-UHFFFAOYSA-N 2 2 295.858 3.479 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1ccncc1Cl)C1CCCCC1 ZINC000088781205 345765356 /nfs/dbraw/zinc/76/53/56/345765356.db2.gz IMXXOVGSNAILQQ-UHFFFAOYSA-N 2 2 295.858 3.479 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000090047491 345778852 /nfs/dbraw/zinc/77/88/52/345778852.db2.gz RINFUOWAFHNPPG-KGLIPLIRSA-N 2 2 296.842 3.101 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623991279 349938664 /nfs/dbraw/zinc/93/86/64/349938664.db2.gz CLKDBKZAMZJVSA-IKGGRYGDSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000092741142 345855807 /nfs/dbraw/zinc/85/58/07/345855807.db2.gz ITGLUEOLMUKTNR-LBPRGKRZSA-N 2 2 298.365 3.380 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(F)cn1)C(C)C ZINC000092766122 345857715 /nfs/dbraw/zinc/85/77/15/345857715.db2.gz CNKSHCGAKXTZIT-CQSZACIVSA-N 2 2 281.419 3.380 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071309 345830462 /nfs/dbraw/zinc/83/04/62/345830462.db2.gz WXHAZQSLTDLDRE-SNVBAGLBSA-N 2 2 265.744 3.036 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071309 345830463 /nfs/dbraw/zinc/83/04/63/345830463.db2.gz WXHAZQSLTDLDRE-SNVBAGLBSA-N 2 2 265.744 3.036 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644813 219160626 /nfs/dbraw/zinc/16/06/26/219160626.db2.gz SUYJUTGUJFIHPC-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644813 219160627 /nfs/dbraw/zinc/16/06/27/219160627.db2.gz SUYJUTGUJFIHPC-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644813 219160630 /nfs/dbraw/zinc/16/06/30/219160630.db2.gz SUYJUTGUJFIHPC-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644813 219160633 /nfs/dbraw/zinc/16/06/33/219160633.db2.gz SUYJUTGUJFIHPC-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093643736 345884250 /nfs/dbraw/zinc/88/42/50/345884250.db2.gz IZXYFYKELIVIBA-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093643736 345884252 /nfs/dbraw/zinc/88/42/52/345884252.db2.gz IZXYFYKELIVIBA-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643736 345884254 /nfs/dbraw/zinc/88/42/54/345884254.db2.gz IZXYFYKELIVIBA-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643736 345884258 /nfs/dbraw/zinc/88/42/58/345884258.db2.gz IZXYFYKELIVIBA-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000127491080 187310844 /nfs/dbraw/zinc/31/08/44/187310844.db2.gz HLWNEZAQPMUKCE-IUDNXUCKSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000127491080 187310845 /nfs/dbraw/zinc/31/08/45/187310845.db2.gz HLWNEZAQPMUKCE-IUDNXUCKSA-N 2 2 258.409 3.005 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCC2)[NH+](C)C)cc1 ZINC000178137324 232382129 /nfs/dbraw/zinc/38/21/29/232382129.db2.gz ULFXSEJWMDUNCP-WMLDXEAASA-N 2 2 260.425 3.376 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000339180626 215000764 /nfs/dbraw/zinc/00/07/64/215000764.db2.gz AKGJZOFJEVDCEB-LBPRGKRZSA-N 2 2 263.772 3.023 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051612 346156706 /nfs/dbraw/zinc/15/67/06/346156706.db2.gz GWXNFVLLKXBQNR-SKDRFNHKSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051612 346156710 /nfs/dbraw/zinc/15/67/10/346156710.db2.gz GWXNFVLLKXBQNR-SKDRFNHKSA-N 2 2 290.304 3.156 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000221630654 346298397 /nfs/dbraw/zinc/29/83/97/346298397.db2.gz WHPKDRXWWKEYRH-CYBMUJFWSA-N 2 2 257.381 3.377 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000221630654 346298398 /nfs/dbraw/zinc/29/83/98/346298398.db2.gz WHPKDRXWWKEYRH-CYBMUJFWSA-N 2 2 257.381 3.377 20 0 CGADLP CC[C@H](C)[N@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000221630707 346298574 /nfs/dbraw/zinc/29/85/74/346298574.db2.gz WHPKDRXWWKEYRH-ZDUSSCGKSA-N 2 2 257.381 3.377 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000221630707 346298576 /nfs/dbraw/zinc/29/85/76/346298576.db2.gz WHPKDRXWWKEYRH-ZDUSSCGKSA-N 2 2 257.381 3.377 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251499599 346389010 /nfs/dbraw/zinc/38/90/10/346389010.db2.gz VXUVDVFLLALYPB-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251499599 346389013 /nfs/dbraw/zinc/38/90/13/346389013.db2.gz VXUVDVFLLALYPB-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000309717067 346470648 /nfs/dbraw/zinc/47/06/48/346470648.db2.gz LDABKLDYHBLTKF-OAHLLOKOSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000309717067 346470653 /nfs/dbraw/zinc/47/06/53/346470653.db2.gz LDABKLDYHBLTKF-OAHLLOKOSA-N 2 2 260.425 3.429 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101277 349970380 /nfs/dbraw/zinc/97/03/80/349970380.db2.gz WSPNXJGUGVTBRL-LZWOXQAQSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101277 349970384 /nfs/dbraw/zinc/97/03/84/349970384.db2.gz WSPNXJGUGVTBRL-LZWOXQAQSA-N 2 2 258.409 3.227 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000389451286 346572976 /nfs/dbraw/zinc/57/29/76/346572976.db2.gz QGMRFDJBICKLLA-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000389451286 346572977 /nfs/dbraw/zinc/57/29/77/346572977.db2.gz QGMRFDJBICKLLA-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000395179007 346578077 /nfs/dbraw/zinc/57/80/77/346578077.db2.gz OVMNBNGMCURHTP-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000395179007 346578078 /nfs/dbraw/zinc/57/80/78/346578078.db2.gz OVMNBNGMCURHTP-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP CCSC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000594986782 347249358 /nfs/dbraw/zinc/24/93/58/347249358.db2.gz JUWKNTQDVCSTAV-UHFFFAOYSA-N 2 2 275.421 3.018 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)CSCCF)[NH+](C)C)cc1 ZINC000595016086 347258172 /nfs/dbraw/zinc/25/81/72/347258172.db2.gz PSUXXWFNACGHHE-HOCLYGCPSA-N 2 2 298.471 3.279 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884539 348136464 /nfs/dbraw/zinc/13/64/64/348136464.db2.gz MTTXANUIOKZHTA-RDJZCZTQSA-N 2 2 269.392 3.324 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884539 348136466 /nfs/dbraw/zinc/13/64/66/348136466.db2.gz MTTXANUIOKZHTA-RDJZCZTQSA-N 2 2 269.392 3.324 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000605574529 348163605 /nfs/dbraw/zinc/16/36/05/348163605.db2.gz WFQUCNWMQQCLKB-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000605574529 348163609 /nfs/dbraw/zinc/16/36/09/348163609.db2.gz WFQUCNWMQQCLKB-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000339406303 215150443 /nfs/dbraw/zinc/15/04/43/215150443.db2.gz DZXNKPSKBGCJOT-LBPRGKRZSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000339406303 215150445 /nfs/dbraw/zinc/15/04/45/215150445.db2.gz DZXNKPSKBGCJOT-LBPRGKRZSA-N 2 2 283.485 3.246 20 0 CGADLP CCN(C)c1ccc(CNc2cccc(C3CC3)[nH+]2)c[nH+]1 ZINC000339430288 215165349 /nfs/dbraw/zinc/16/53/49/215165349.db2.gz SRPCIAWDDWWTER-UHFFFAOYSA-N 2 2 282.391 3.422 20 0 CGADLP c1cn([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)c[nH+]1 ZINC000608082994 348283756 /nfs/dbraw/zinc/28/37/56/348283756.db2.gz FPURRGRQHJHYFI-AWEZNQCLSA-N 2 2 278.359 3.273 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379016 192132235 /nfs/dbraw/zinc/13/22/35/192132235.db2.gz MPPQJFYZOCWRNX-GOEBONIOSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379016 192132237 /nfs/dbraw/zinc/13/22/37/192132237.db2.gz MPPQJFYZOCWRNX-GOEBONIOSA-N 2 2 299.418 3.477 20 0 CGADLP CCSCc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000611476824 348455473 /nfs/dbraw/zinc/45/54/73/348455473.db2.gz MYNKWXRRECXJFZ-OCCSQVGLSA-N 2 2 279.453 3.229 20 0 CGADLP CCSCc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000611476824 348455476 /nfs/dbraw/zinc/45/54/76/348455476.db2.gz MYNKWXRRECXJFZ-OCCSQVGLSA-N 2 2 279.453 3.229 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188347 349996164 /nfs/dbraw/zinc/99/61/64/349996164.db2.gz FUDNIQBJLBKGDY-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188347 349996165 /nfs/dbraw/zinc/99/61/65/349996165.db2.gz FUDNIQBJLBKGDY-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187885 349996421 /nfs/dbraw/zinc/99/64/21/349996421.db2.gz NUFXGAIPYOQFHF-WCQYABFASA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187885 349996424 /nfs/dbraw/zinc/99/64/24/349996424.db2.gz NUFXGAIPYOQFHF-WCQYABFASA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187886 349996950 /nfs/dbraw/zinc/99/69/50/349996950.db2.gz NUFXGAIPYOQFHF-YPMHNXCESA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187886 349996953 /nfs/dbraw/zinc/99/69/53/349996953.db2.gz NUFXGAIPYOQFHF-YPMHNXCESA-N 2 2 274.399 3.273 20 0 CGADLP Clc1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000351998151 219281818 /nfs/dbraw/zinc/28/18/18/219281818.db2.gz XQRUASFGOSVZIU-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000628233642 350455210 /nfs/dbraw/zinc/45/52/10/350455210.db2.gz NOWOASNMIULXNC-HZPDHXFCSA-N 2 2 260.425 3.030 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000628233642 350455214 /nfs/dbraw/zinc/45/52/14/350455214.db2.gz NOWOASNMIULXNC-HZPDHXFCSA-N 2 2 260.425 3.030 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628304950 350490292 /nfs/dbraw/zinc/49/02/92/350490292.db2.gz CPLZLQDRNBFFPC-UHFFFAOYSA-N 2 2 288.357 3.178 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000628278653 350475428 /nfs/dbraw/zinc/47/54/28/350475428.db2.gz ALLFDEJBRRDIGZ-UHFFFAOYSA-N 2 2 298.352 3.028 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000628278653 350475431 /nfs/dbraw/zinc/47/54/31/350475431.db2.gz ALLFDEJBRRDIGZ-UHFFFAOYSA-N 2 2 298.352 3.028 20 0 CGADLP CO[C@@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000291065429 197906091 /nfs/dbraw/zinc/90/60/91/197906091.db2.gz AOBVPFNKAXAYFX-KDOFPFPSSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C[NH2+]1 ZINC000629542169 350707522 /nfs/dbraw/zinc/70/75/22/350707522.db2.gz ZOSAHLJEPOKSPF-YVLXSGLVSA-N 2 2 264.800 3.057 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccsc1 ZINC000629543108 350708309 /nfs/dbraw/zinc/70/83/09/350708309.db2.gz SYSZVDURDOGTEH-YUTCNCBUSA-N 2 2 252.427 3.319 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cc(C)ccc1OC ZINC000629543211 350708772 /nfs/dbraw/zinc/70/87/72/350708772.db2.gz VSVWEQDIEDVTHW-DZKIICNBSA-N 2 2 276.424 3.185 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000629546610 350709908 /nfs/dbraw/zinc/70/99/08/350709908.db2.gz USEOMMGTVQGAHH-COLVAYQJSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546857 350709920 /nfs/dbraw/zinc/70/99/20/350709920.db2.gz XZOZDIAVOZKFIY-IMJJTQAJSA-N 2 2 258.409 3.021 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000629547884 350710145 /nfs/dbraw/zinc/71/01/45/350710145.db2.gz WCFYQCFUQFOZGN-YRRQLQLVSA-N 2 2 250.411 3.027 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCCC2)o1 ZINC000629546598 350710570 /nfs/dbraw/zinc/71/05/70/350710570.db2.gz UCEPWJBHPXVMCR-BJJXKVORSA-N 2 2 262.397 3.159 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000629549451 350710804 /nfs/dbraw/zinc/71/08/04/350710804.db2.gz VVARWFANOXKQQD-XPXLGCRWSA-N 2 2 268.451 3.014 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(C(F)F)c1)C2 ZINC000629596441 350716781 /nfs/dbraw/zinc/71/67/81/350716781.db2.gz ZPKGGNYKVJNFRF-IYBDPMFKSA-N 2 2 280.362 3.056 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(C(F)F)c1)C2 ZINC000629596441 350716784 /nfs/dbraw/zinc/71/67/84/350716784.db2.gz ZPKGGNYKVJNFRF-IYBDPMFKSA-N 2 2 280.362 3.056 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000629396398 350688568 /nfs/dbraw/zinc/68/85/68/350688568.db2.gz YJYWQAHGUOCMQV-MWLCHTKSSA-N 2 2 273.207 3.224 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000629524979 350701332 /nfs/dbraw/zinc/70/13/32/350701332.db2.gz WTQXEAILZPLCME-LEWSCRJBSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631103759 350954716 /nfs/dbraw/zinc/95/47/16/350954716.db2.gz AULIDKZLMQZVLE-UHFFFAOYSA-N 2 2 277.318 3.055 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291199782 197952322 /nfs/dbraw/zinc/95/23/22/197952322.db2.gz LZGWVVZRFMXHOG-QGZVFWFLSA-N 2 2 282.387 3.305 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886393 351151917 /nfs/dbraw/zinc/15/19/17/351151917.db2.gz JHLXKGNVIQTPMB-HIFRSBDPSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886393 351151921 /nfs/dbraw/zinc/15/19/21/351151921.db2.gz JHLXKGNVIQTPMB-HIFRSBDPSA-N 2 2 298.352 3.279 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890701 351152572 /nfs/dbraw/zinc/15/25/72/351152572.db2.gz SICYKZVUGVNMGO-QAPCUYQASA-N 2 2 287.451 3.087 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890701 351152574 /nfs/dbraw/zinc/15/25/74/351152574.db2.gz SICYKZVUGVNMGO-QAPCUYQASA-N 2 2 287.451 3.087 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352240131 219379742 /nfs/dbraw/zinc/37/97/42/219379742.db2.gz DHPSKUFVYFRQLK-LYKUJDHUSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352240131 219379744 /nfs/dbraw/zinc/37/97/44/219379744.db2.gz DHPSKUFVYFRQLK-LYKUJDHUSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352240133 219380027 /nfs/dbraw/zinc/38/00/27/219380027.db2.gz DHPSKUFVYFRQLK-PKXJPQMGSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352240133 219380029 /nfs/dbraw/zinc/38/00/29/219380029.db2.gz DHPSKUFVYFRQLK-PKXJPQMGSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000634680666 351566753 /nfs/dbraw/zinc/56/67/53/351566753.db2.gz YNHREEMAHASCKX-GDBMZVCRSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000634682946 351568945 /nfs/dbraw/zinc/56/89/45/351568945.db2.gz FOERWLCTMGHXEO-USXIJHARSA-N 2 2 290.451 3.225 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000291583886 198042153 /nfs/dbraw/zinc/04/21/53/198042153.db2.gz PDAOARACWVKZDF-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000291583886 198042155 /nfs/dbraw/zinc/04/21/55/198042155.db2.gz PDAOARACWVKZDF-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC[C@H]1c1ccccc1 ZINC000634996618 351621039 /nfs/dbraw/zinc/62/10/39/351621039.db2.gz PJPKIWONXFGOJM-YCHGYYGWSA-N 2 2 270.420 3.007 20 0 CGADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC[C@H]1c1ccccc1 ZINC000634996618 351621042 /nfs/dbraw/zinc/62/10/42/351621042.db2.gz PJPKIWONXFGOJM-YCHGYYGWSA-N 2 2 270.420 3.007 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000635009702 351627323 /nfs/dbraw/zinc/62/73/23/351627323.db2.gz ZBAOXOLLUOYGHQ-FZZIBODNSA-N 2 2 273.405 3.247 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)o1 ZINC000365195715 234089201 /nfs/dbraw/zinc/08/92/01/234089201.db2.gz IBIJWKSDMGGOPN-ZDUSSCGKSA-N 2 2 287.407 3.323 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000366432200 234169090 /nfs/dbraw/zinc/16/90/90/234169090.db2.gz MFAFULBAERIVII-NFOMZHRRSA-N 2 2 262.397 3.256 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000366432201 234170157 /nfs/dbraw/zinc/17/01/57/234170157.db2.gz MFAFULBAERIVII-WLYUNCDWSA-N 2 2 262.397 3.256 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162892 198187259 /nfs/dbraw/zinc/18/72/59/198187259.db2.gz OTMAWKZKHQFTFK-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292162892 198187260 /nfs/dbraw/zinc/18/72/60/198187260.db2.gz OTMAWKZKHQFTFK-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162892 198187261 /nfs/dbraw/zinc/18/72/61/198187261.db2.gz OTMAWKZKHQFTFK-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292162892 198187263 /nfs/dbraw/zinc/18/72/63/198187263.db2.gz OTMAWKZKHQFTFK-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000366770756 234190994 /nfs/dbraw/zinc/19/09/94/234190994.db2.gz FYCSHTIPRVXOHO-CRAIPNDOSA-N 2 2 296.414 3.477 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367293390 234201924 /nfs/dbraw/zinc/20/19/24/234201924.db2.gz BGKYAELVAJSNSR-SFHVURJKSA-N 2 2 296.414 3.306 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368099583 234281324 /nfs/dbraw/zinc/28/13/24/234281324.db2.gz GFKJXPBKTRMDEI-MDZRGWNJSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368099583 234281328 /nfs/dbraw/zinc/28/13/28/234281328.db2.gz GFKJXPBKTRMDEI-MDZRGWNJSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)ccc1F ZINC000368500004 234315438 /nfs/dbraw/zinc/31/54/38/234315438.db2.gz VAEUEUINWSIREG-NSHDSACASA-N 2 2 291.345 3.348 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000368575221 234323618 /nfs/dbraw/zinc/32/36/18/234323618.db2.gz ITUXSUDTVUKJFW-IBGZPJMESA-N 2 2 296.414 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000368575221 234323620 /nfs/dbraw/zinc/32/36/20/234323620.db2.gz ITUXSUDTVUKJFW-IBGZPJMESA-N 2 2 296.414 3.396 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1F ZINC000154555166 188149488 /nfs/dbraw/zinc/14/94/88/188149488.db2.gz MVGHVRUWPPODSW-WCQYABFASA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1F ZINC000154555166 188149489 /nfs/dbraw/zinc/14/94/89/188149489.db2.gz MVGHVRUWPPODSW-WCQYABFASA-N 2 2 282.428 3.292 20 0 CGADLP C[C@H]1CC[N@H+](CCSC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000369206933 234361143 /nfs/dbraw/zinc/36/11/43/234361143.db2.gz OKAPYWWLSOPJHL-KBPBESRZSA-N 2 2 281.469 3.298 20 0 CGADLP C[C@H]1CC[N@@H+](CCSC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000369206933 234361146 /nfs/dbraw/zinc/36/11/46/234361146.db2.gz OKAPYWWLSOPJHL-KBPBESRZSA-N 2 2 281.469 3.298 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000156655146 188274735 /nfs/dbraw/zinc/27/47/35/188274735.db2.gz BCMQVMYSCRKZIE-RHSMWYFYSA-N 2 2 276.424 3.220 20 0 CGADLP CCc1[nH+]ccn1Cc1ccc(Cn2cc[nH+]c2CC)cc1 ZINC000158416237 188375172 /nfs/dbraw/zinc/37/51/72/188375172.db2.gz QOLQURZVDHQFTK-UHFFFAOYSA-N 2 2 294.402 3.301 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158845690 188397556 /nfs/dbraw/zinc/39/75/56/188397556.db2.gz JLWFOBCYEHOGFF-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158845690 188397557 /nfs/dbraw/zinc/39/75/57/188397557.db2.gz JLWFOBCYEHOGFF-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158845690 188397558 /nfs/dbraw/zinc/39/75/58/188397558.db2.gz JLWFOBCYEHOGFF-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158845690 188397559 /nfs/dbraw/zinc/39/75/59/188397559.db2.gz JLWFOBCYEHOGFF-PBFPGSCMSA-N 2 2 294.389 3.442 20 0 CGADLP Cc1cc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)ccc1F ZINC000271744649 191302089 /nfs/dbraw/zinc/30/20/89/191302089.db2.gz GEXLFVPDANZPKZ-INIZCTEOSA-N 2 2 273.355 3.072 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337823 235391562 /nfs/dbraw/zinc/39/15/62/235391562.db2.gz LCLVFAKBPGYLHW-DDBAPUKQSA-N 2 2 296.414 3.246 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337823 235391565 /nfs/dbraw/zinc/39/15/65/235391565.db2.gz LCLVFAKBPGYLHW-DDBAPUKQSA-N 2 2 296.414 3.246 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142429 283179498 /nfs/dbraw/zinc/17/94/98/283179498.db2.gz VDLLQYXIYTYWHB-ZJPYXAASSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142429 283179502 /nfs/dbraw/zinc/17/95/02/283179502.db2.gz VDLLQYXIYTYWHB-ZJPYXAASSA-N 3 2 295.515 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000336343946 213191778 /nfs/dbraw/zinc/19/17/78/213191778.db2.gz BMTAZUZMXMWUCK-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000336343946 213191779 /nfs/dbraw/zinc/19/17/79/213191779.db2.gz BMTAZUZMXMWUCK-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000123583251 138368773 /nfs/dbraw/zinc/36/87/73/138368773.db2.gz LJAYHOIEVXUFDP-SFHVURJKSA-N 2 2 297.446 3.307 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000123583251 138368774 /nfs/dbraw/zinc/36/87/74/138368774.db2.gz LJAYHOIEVXUFDP-SFHVURJKSA-N 2 2 297.446 3.307 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000123700080 138369194 /nfs/dbraw/zinc/36/91/94/138369194.db2.gz JTKXYCYAOCCGQK-FZMZJTMJSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000123700080 138369195 /nfs/dbraw/zinc/36/91/95/138369195.db2.gz JTKXYCYAOCCGQK-FZMZJTMJSA-N 2 2 270.367 3.331 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)ccc1F ZINC000130147042 138399054 /nfs/dbraw/zinc/39/90/54/138399054.db2.gz KOZKZVYKIORYSU-FPMFFAJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)ccc1F ZINC000130147042 138399055 /nfs/dbraw/zinc/39/90/55/138399055.db2.gz KOZKZVYKIORYSU-FPMFFAJLSA-N 2 2 280.362 3.242 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000479269648 535358022 /nfs/dbraw/zinc/35/80/22/535358022.db2.gz MADJVNWUASBGKM-WMZOPIPTSA-N 2 2 272.436 3.453 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423234877 236003995 /nfs/dbraw/zinc/00/39/95/236003995.db2.gz MJWRIYQRAOXYFL-RTBURBONSA-N 2 2 298.405 3.451 20 0 CGADLP c1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240926 236006541 /nfs/dbraw/zinc/00/65/41/236006541.db2.gz UKWJRWGEOHPVTA-OALUTQOASA-N 2 2 280.415 3.312 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423239020 236006611 /nfs/dbraw/zinc/00/66/11/236006611.db2.gz RNILPTCOYAAFKP-PKOBYXMFSA-N 2 2 298.405 3.451 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423241743 236006645 /nfs/dbraw/zinc/00/66/45/236006645.db2.gz VJEAJOZHVOMMSJ-LSDHHAIUSA-N 2 2 298.352 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)oc1C ZINC000423262214 236013299 /nfs/dbraw/zinc/01/32/99/236013299.db2.gz MAOPCPSXSQKUPQ-WFASDCNBSA-N 2 2 264.413 3.455 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423264621 236013817 /nfs/dbraw/zinc/01/38/17/236013817.db2.gz AJUCEPNQNOUBGB-CABZTGNLSA-N 2 2 281.469 3.137 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423385976 236058888 /nfs/dbraw/zinc/05/88/88/236058888.db2.gz LATXIVAIQGSSLG-CZUORRHYSA-N 2 2 276.424 3.124 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423356039 236047926 /nfs/dbraw/zinc/04/79/26/236047926.db2.gz GKMFPPQCESPHAM-SLEUVZQESA-N 2 2 264.438 3.057 20 0 CGADLP COC[C@@]1(C[NH2+][C@H](CCC(C)C)c2ccoc2)CCC[NH2+]1 ZINC000423415711 236067697 /nfs/dbraw/zinc/06/76/97/236067697.db2.gz PGKACQMZRTYZQH-SJORKVTESA-N 2 2 294.439 3.115 20 0 CGADLP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423477854 236082194 /nfs/dbraw/zinc/08/21/94/236082194.db2.gz KQKBEWANNHJGPW-DOTOQJQBSA-N 3 2 298.434 3.055 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423545895 236097479 /nfs/dbraw/zinc/09/74/79/236097479.db2.gz FBCUGPCAWFBSRL-GUYCJALGSA-N 2 2 258.409 3.357 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425549626 236259428 /nfs/dbraw/zinc/25/94/28/236259428.db2.gz YFPLXASLZWESBQ-QGZVFWFLSA-N 2 2 283.419 3.436 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425549626 236259429 /nfs/dbraw/zinc/25/94/29/236259429.db2.gz YFPLXASLZWESBQ-QGZVFWFLSA-N 2 2 283.419 3.436 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccsc1Cl ZINC000312565914 138586148 /nfs/dbraw/zinc/58/61/48/138586148.db2.gz DGVFTARNOPXWEW-NSHDSACASA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccsc1Cl ZINC000312565914 138586149 /nfs/dbraw/zinc/58/61/49/138586149.db2.gz DGVFTARNOPXWEW-NSHDSACASA-N 2 2 260.834 3.207 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000294946676 199264308 /nfs/dbraw/zinc/26/43/08/199264308.db2.gz FCCBSOGRMIIBMH-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000294946676 199264309 /nfs/dbraw/zinc/26/43/09/199264309.db2.gz FCCBSOGRMIIBMH-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)c1 ZINC000437101175 237250362 /nfs/dbraw/zinc/25/03/62/237250362.db2.gz COPDSJLPIFLGCV-SFHVURJKSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000178300254 189103614 /nfs/dbraw/zinc/10/36/14/189103614.db2.gz MTAVVVUNEFKXLB-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000178300268 189103759 /nfs/dbraw/zinc/10/37/59/189103759.db2.gz MTAVVVUNEFKXLB-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000439118111 238230474 /nfs/dbraw/zinc/23/04/74/238230474.db2.gz UYQOOCYREIHWLG-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000439118111 238230479 /nfs/dbraw/zinc/23/04/79/238230479.db2.gz UYQOOCYREIHWLG-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191703 296027711 /nfs/dbraw/zinc/02/77/11/296027711.db2.gz MDHZYVGLOFOHFD-BXUZGUMPSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000063191703 296027714 /nfs/dbraw/zinc/02/77/14/296027714.db2.gz MDHZYVGLOFOHFD-BXUZGUMPSA-N 2 2 286.341 3.407 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000441357418 238396641 /nfs/dbraw/zinc/39/66/41/238396641.db2.gz NQBBMYDLYCXTRL-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000441357418 238396645 /nfs/dbraw/zinc/39/66/45/238396645.db2.gz NQBBMYDLYCXTRL-YJBOKZPZSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000342318762 216309744 /nfs/dbraw/zinc/30/97/44/216309744.db2.gz SVIFEWNGXYRDGY-CYBMUJFWSA-N 2 2 294.358 3.448 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000301512124 201038860 /nfs/dbraw/zinc/03/88/60/201038860.db2.gz FKNZEGQQCYNNHY-RHSMWYFYSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000301512124 201038861 /nfs/dbraw/zinc/03/88/61/201038861.db2.gz FKNZEGQQCYNNHY-RHSMWYFYSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182770842 189334066 /nfs/dbraw/zinc/33/40/66/189334066.db2.gz JUUWRBLIGJATQD-GFCCVEGCSA-N 2 2 278.425 3.040 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182770842 189334067 /nfs/dbraw/zinc/33/40/67/189334067.db2.gz JUUWRBLIGJATQD-GFCCVEGCSA-N 2 2 278.425 3.040 20 0 CGADLP Fc1cccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000182833172 189336691 /nfs/dbraw/zinc/33/66/91/189336691.db2.gz XVGYDAZGICAUCU-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP Cc1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301619429 201098607 /nfs/dbraw/zinc/09/86/07/201098607.db2.gz XCEDUWUHESHBEY-OCCSQVGLSA-N 2 2 276.428 3.049 20 0 CGADLP Cc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301619429 201098610 /nfs/dbraw/zinc/09/86/10/201098610.db2.gz XCEDUWUHESHBEY-OCCSQVGLSA-N 2 2 276.428 3.049 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C)c(C)[nH+]1 ZINC000301700904 201147130 /nfs/dbraw/zinc/14/71/30/201147130.db2.gz SKJUROMCZLODFG-INIZCTEOSA-N 2 2 288.439 3.078 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c(C)[nH+]1 ZINC000301700904 201147131 /nfs/dbraw/zinc/14/71/31/201147131.db2.gz SKJUROMCZLODFG-INIZCTEOSA-N 2 2 288.439 3.078 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000449048935 239140966 /nfs/dbraw/zinc/14/09/66/239140966.db2.gz QVRPWHXELXJIBG-GOSISDBHSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000449048935 239140972 /nfs/dbraw/zinc/14/09/72/239140972.db2.gz QVRPWHXELXJIBG-GOSISDBHSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119908632 370721922 /nfs/dbraw/zinc/72/19/22/370721922.db2.gz ZDOIQNDWDHVFHB-QLFBSQMISA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119908632 370721926 /nfs/dbraw/zinc/72/19/26/370721926.db2.gz ZDOIQNDWDHVFHB-QLFBSQMISA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cn1 ZINC000450747314 240067826 /nfs/dbraw/zinc/06/78/26/240067826.db2.gz TYEOOMGOPNRLIB-UHFFFAOYSA-N 2 2 297.446 3.347 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+]CC[N@H+](C)Cc2ccccc2)cn1 ZINC000450747314 240067830 /nfs/dbraw/zinc/06/78/30/240067830.db2.gz TYEOOMGOPNRLIB-UHFFFAOYSA-N 2 2 297.446 3.347 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](CC2CC2)C1 ZINC000451073144 240211962 /nfs/dbraw/zinc/21/19/62/240211962.db2.gz ILPCHTISCQODOA-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](CC2CC2)C1 ZINC000451073144 240211965 /nfs/dbraw/zinc/21/19/65/240211965.db2.gz ILPCHTISCQODOA-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000451073144 240211969 /nfs/dbraw/zinc/21/19/69/240211969.db2.gz ILPCHTISCQODOA-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000451073144 240211971 /nfs/dbraw/zinc/21/19/71/240211971.db2.gz ILPCHTISCQODOA-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1Cl ZINC000121101043 370828863 /nfs/dbraw/zinc/82/88/63/370828863.db2.gz IRVGYWMVHNKESA-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1Cl ZINC000121101043 370828868 /nfs/dbraw/zinc/82/88/68/370828868.db2.gz IRVGYWMVHNKESA-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101043 370828874 /nfs/dbraw/zinc/82/88/74/370828874.db2.gz IRVGYWMVHNKESA-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1Cl ZINC000121101043 370828879 /nfs/dbraw/zinc/82/88/79/370828879.db2.gz IRVGYWMVHNKESA-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000459346756 242082534 /nfs/dbraw/zinc/08/25/34/242082534.db2.gz UXLIUIQRCKWLGG-MAUKXSAKSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000459346756 242082538 /nfs/dbraw/zinc/08/25/38/242082538.db2.gz UXLIUIQRCKWLGG-MAUKXSAKSA-N 2 2 283.419 3.088 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)c1 ZINC000459658948 242166463 /nfs/dbraw/zinc/16/64/63/242166463.db2.gz JOOOFKNZSJLLEL-PKOBYXMFSA-N 2 2 297.446 3.354 20 0 CGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000459669570 242171105 /nfs/dbraw/zinc/17/11/05/242171105.db2.gz DMRMGVVPMWQETH-YOEHRIQHSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000459669570 242171110 /nfs/dbraw/zinc/17/11/10/242171110.db2.gz DMRMGVVPMWQETH-YOEHRIQHSA-N 2 2 299.418 3.126 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC000459766840 242222157 /nfs/dbraw/zinc/22/21/57/242222157.db2.gz PVMQTKWIAZMHNE-HYVNUMGLSA-N 2 2 267.376 3.151 20 0 CGADLP COC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1)C(C)C ZINC000480529886 243152826 /nfs/dbraw/zinc/15/28/26/243152826.db2.gz RWFRWPOIEPQKAT-IAGOWNOFSA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000480671275 243160201 /nfs/dbraw/zinc/16/02/01/243160201.db2.gz RSFRXZCAMIALNC-KDOFPFPSSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000480671275 243160205 /nfs/dbraw/zinc/16/02/05/243160205.db2.gz RSFRXZCAMIALNC-KDOFPFPSSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000480671281 243160577 /nfs/dbraw/zinc/16/05/77/243160577.db2.gz RSFRXZCAMIALNC-RDTXWAMCSA-N 2 2 272.436 3.382 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000480671281 243160578 /nfs/dbraw/zinc/16/05/78/243160578.db2.gz RSFRXZCAMIALNC-RDTXWAMCSA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C(C)C)[NH+](C)C)cc1 ZINC000479851773 243127592 /nfs/dbraw/zinc/12/75/92/243127592.db2.gz NVNVWDKYBBNRKF-RHSMWYFYSA-N 2 2 262.441 3.486 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)c1 ZINC000479875578 243130591 /nfs/dbraw/zinc/13/05/91/243130591.db2.gz RIIZMMKLYMVRHU-QGZVFWFLSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810788 243209238 /nfs/dbraw/zinc/20/92/38/243209238.db2.gz ANYVJRVOQJFTEY-DZRCGBNOSA-N 2 2 296.817 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810788 243209241 /nfs/dbraw/zinc/20/92/41/243209241.db2.gz ANYVJRVOQJFTEY-DZRCGBNOSA-N 2 2 296.817 3.207 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000484129616 243307489 /nfs/dbraw/zinc/30/74/89/243307489.db2.gz KGZPFONBTNBKNH-IXDOHACOSA-N 2 2 296.499 3.149 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C1CC1)[NH+](C)C ZINC000483331179 243278206 /nfs/dbraw/zinc/27/82/06/243278206.db2.gz PHQYNZMHMORLRB-KEYYUXOJSA-N 2 2 260.425 3.374 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000486941904 243382792 /nfs/dbraw/zinc/38/27/92/243382792.db2.gz SUHUTOBEERNKGX-UHFFFAOYSA-N 2 2 298.858 3.416 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1F ZINC000019912858 368782189 /nfs/dbraw/zinc/78/21/89/368782189.db2.gz QEUXFEAYBDYDTM-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1F ZINC000019912858 368782201 /nfs/dbraw/zinc/78/22/01/368782201.db2.gz QEUXFEAYBDYDTM-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000036907679 369036587 /nfs/dbraw/zinc/03/65/87/369036587.db2.gz GASZCDZONSJXLP-JMSVASOKSA-N 2 2 266.816 3.158 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000036907679 369036589 /nfs/dbraw/zinc/03/65/89/369036589.db2.gz GASZCDZONSJXLP-JMSVASOKSA-N 2 2 266.816 3.158 20 0 CGADLP CCC[C@@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932121 369039684 /nfs/dbraw/zinc/03/96/84/369039684.db2.gz OXPALSIREAGPLX-CQSZACIVSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034992506 368986578 /nfs/dbraw/zinc/98/65/78/368986578.db2.gz DVIKDXRFTNSIOH-LJQANCHMSA-N 2 2 280.415 3.359 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034992506 368986585 /nfs/dbraw/zinc/98/65/85/368986585.db2.gz DVIKDXRFTNSIOH-LJQANCHMSA-N 2 2 280.415 3.359 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000037140856 369066694 /nfs/dbraw/zinc/06/66/94/369066694.db2.gz LNLCRUWECJQUOF-NSHDSACASA-N 2 2 280.362 3.242 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157310 369073362 /nfs/dbraw/zinc/07/33/62/369073362.db2.gz UEKXNDQKDXRVTD-KBPBESRZSA-N 2 2 273.380 3.021 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3)o1)CC2 ZINC000494391584 244285731 /nfs/dbraw/zinc/28/57/31/244285731.db2.gz KWBCCGRQNWLUQL-HNNXBMFYSA-N 2 2 293.370 3.248 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000494915446 244331483 /nfs/dbraw/zinc/33/14/83/244331483.db2.gz CRJJTZWWTHLUPM-DVOMOZLQSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000494952754 244335512 /nfs/dbraw/zinc/33/55/12/244335512.db2.gz CYMUIAUYSFGETI-VFPIZLKKSA-N 2 2 260.425 3.312 20 0 CGADLP c1ccc([C@@H](C[NH2+]C[C@H]2CCC=CO2)[NH+]2CCCC2)cc1 ZINC000050267482 369433777 /nfs/dbraw/zinc/43/37/77/369433777.db2.gz KFFIKSKKBDBQPN-QZTJIDSGSA-N 2 2 286.419 3.106 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000054918185 369507623 /nfs/dbraw/zinc/50/76/23/369507623.db2.gz IILUASKDQHQOAK-ZDUSSCGKSA-N 2 2 281.469 3.060 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000054918185 369507626 /nfs/dbraw/zinc/50/76/26/369507626.db2.gz IILUASKDQHQOAK-ZDUSSCGKSA-N 2 2 281.469 3.060 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000129516074 370990628 /nfs/dbraw/zinc/99/06/28/370990628.db2.gz YIHSCIJYLVAETD-LLVKDONJSA-N 2 2 270.829 3.073 20 0 CGADLP CC[NH+](CC)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115500 370016625 /nfs/dbraw/zinc/01/66/25/370016625.db2.gz QNQOQWOPGWFCFB-UHFFFAOYSA-N 2 2 266.351 3.039 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086957561 370023621 /nfs/dbraw/zinc/02/36/21/370023621.db2.gz FAILSCAZFIRRQB-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc2c(s1)CCCC2 ZINC000093368318 370120023 /nfs/dbraw/zinc/12/00/23/370120023.db2.gz QDNLCQNRIVPVCL-GFCCVEGCSA-N 2 2 295.496 3.260 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nccs1 ZINC000093396977 370122662 /nfs/dbraw/zinc/12/26/62/370122662.db2.gz CHMLYJBXOPIEFU-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243796 370395003 /nfs/dbraw/zinc/39/50/03/370395003.db2.gz JAVOASBAMJMXFD-UHFFFAOYSA-N 2 2 285.391 3.119 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514083959 245105919 /nfs/dbraw/zinc/10/59/19/245105919.db2.gz NNLZMKQYDNBSOQ-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000514083959 245105924 /nfs/dbraw/zinc/10/59/24/245105924.db2.gz NNLZMKQYDNBSOQ-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2OC)CC1 ZINC000118447168 370616762 /nfs/dbraw/zinc/61/67/62/370616762.db2.gz UJGLWNNWGAJGOU-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP Cc1ccc(-c2ncc(C[NH+]3CCC([NH3+])CC3)s2)cc1 ZINC000336570030 213464780 /nfs/dbraw/zinc/46/47/80/213464780.db2.gz GTTQVJOZWVDLAV-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000118998487 370634851 /nfs/dbraw/zinc/63/48/51/370634851.db2.gz BWMYDEHJEWILTG-CRAIPNDOSA-N 2 2 290.451 3.002 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129767387 370999463 /nfs/dbraw/zinc/99/94/63/370999463.db2.gz UYYZNJFEPUWDCP-MAUKXSAKSA-N 2 2 299.418 3.365 20 0 CGADLP Cc1ccc(C)c(OC2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000131266739 371093523 /nfs/dbraw/zinc/09/35/23/371093523.db2.gz VEYVQAAMVOIOML-UHFFFAOYSA-N 2 2 299.418 3.043 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131724752 371126191 /nfs/dbraw/zinc/12/61/91/371126191.db2.gz UQLNYZXCQVBVGJ-KSSFIOAISA-N 2 2 298.386 3.305 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131724752 371126194 /nfs/dbraw/zinc/12/61/94/371126194.db2.gz UQLNYZXCQVBVGJ-KSSFIOAISA-N 2 2 298.386 3.305 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522690 371257875 /nfs/dbraw/zinc/25/78/75/371257875.db2.gz ILXXGQMBALJVMA-AGIUHOORSA-N 2 2 295.496 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133522690 371257879 /nfs/dbraw/zinc/25/78/79/371257879.db2.gz ILXXGQMBALJVMA-AGIUHOORSA-N 2 2 295.496 3.259 20 0 CGADLP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136087348 371460377 /nfs/dbraw/zinc/46/03/77/371460377.db2.gz QWUWKJRTTJYLRI-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136087348 371460380 /nfs/dbraw/zinc/46/03/80/371460380.db2.gz QWUWKJRTTJYLRI-HOCLYGCPSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087119 371601681 /nfs/dbraw/zinc/60/16/81/371601681.db2.gz PCFAHZQTLQRSQW-HRCADAONSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087119 371601685 /nfs/dbraw/zinc/60/16/85/371601685.db2.gz PCFAHZQTLQRSQW-HRCADAONSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663720 371622337 /nfs/dbraw/zinc/62/23/37/371622337.db2.gz ISQWOCZAIZITSW-HLLBOEOZSA-N 3 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663720 371622340 /nfs/dbraw/zinc/62/23/40/371622340.db2.gz ISQWOCZAIZITSW-HLLBOEOZSA-N 3 2 298.434 3.006 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000421820723 371642219 /nfs/dbraw/zinc/64/22/19/371642219.db2.gz NNGAJCXCMZAREX-LLVKDONJSA-N 2 2 282.815 3.093 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccncc1Cl ZINC000421827619 371649528 /nfs/dbraw/zinc/64/95/28/371649528.db2.gz YNIASKYXURRYRX-GFCCVEGCSA-N 2 2 293.842 3.403 20 0 CGADLP c1c(CC[NH2+][C@H]2CCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152809212 371725829 /nfs/dbraw/zinc/72/58/29/371725829.db2.gz TUSYEOKLWOBOGH-SFHVURJKSA-N 2 2 295.430 3.429 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)o1 ZINC000152825639 371727261 /nfs/dbraw/zinc/72/72/61/371727261.db2.gz LIVGMXIHVGAUOY-ZDUSSCGKSA-N 2 2 273.380 3.014 20 0 CGADLP CCCCOc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561881 371749382 /nfs/dbraw/zinc/74/93/82/371749382.db2.gz NYXZYQMUUHIJCU-UHFFFAOYSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000032130171 541858266 /nfs/dbraw/zinc/85/82/66/541858266.db2.gz NOSOHSNAGWQXJW-GOSISDBHSA-N 2 2 284.403 3.093 20 0 CGADLP CSC1(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000289077301 371750931 /nfs/dbraw/zinc/75/09/31/371750931.db2.gz CWZWWVUYGCWXQS-OAHLLOKOSA-N 2 2 278.465 3.083 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000422700014 371756799 /nfs/dbraw/zinc/75/67/99/371756799.db2.gz FUDMGEJKKAEIFD-IRXDYDNUSA-N 3 2 296.418 3.008 20 0 CGADLP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422707594 371762007 /nfs/dbraw/zinc/76/20/07/371762007.db2.gz ANEVNGLFCZXQFL-CSMYWGQOSA-N 2 2 276.399 3.397 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422729433 371770193 /nfs/dbraw/zinc/77/01/93/371770193.db2.gz IASKTIORMKAEPZ-IRXDYDNUSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422745118 371780110 /nfs/dbraw/zinc/78/01/10/371780110.db2.gz LPOUQNMWQPROSO-OAGGEKHMSA-N 2 2 284.488 3.194 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422788538 371807713 /nfs/dbraw/zinc/80/77/13/371807713.db2.gz VNHUHIULZJHJCY-IAGOWNOFSA-N 2 2 282.387 3.448 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2(C)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422922992 371873860 /nfs/dbraw/zinc/87/38/60/371873860.db2.gz UWISXXBTFQFVHR-IRXDYDNUSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951425 371888673 /nfs/dbraw/zinc/88/86/73/371888673.db2.gz YMTOWCOGDMJBKC-ZWNOBZJWSA-N 2 2 287.234 3.124 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423006921 371911698 /nfs/dbraw/zinc/91/16/98/371911698.db2.gz WUNDUSDPBNFLFK-OQUILHJVSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423006919 371911877 /nfs/dbraw/zinc/91/18/77/371911877.db2.gz WUNDUSDPBNFLFK-OMNBBPDLSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000423023096 371919847 /nfs/dbraw/zinc/91/98/47/371919847.db2.gz IXRCXHSPENLSJT-ZANVPECISA-N 2 2 290.304 3.017 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000290346400 371967883 /nfs/dbraw/zinc/96/78/83/371967883.db2.gz LPHWDHIPRCPJLD-SJORKVTESA-N 2 2 276.424 3.116 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423110441 371972751 /nfs/dbraw/zinc/97/27/51/371972751.db2.gz IBMMWKVWCSTIHP-YRGRVCCFSA-N 2 2 264.438 3.200 20 0 CGADLP CSC(C)(C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290385012 371979414 /nfs/dbraw/zinc/97/94/14/371979414.db2.gz OHFLHGMRZOMGNY-UHFFFAOYSA-N 2 2 252.427 3.054 20 0 CGADLP COc1cc(CC[NH2+]CCCc2c[nH+]ccc2C)ccc1C ZINC000290417211 371986238 /nfs/dbraw/zinc/98/62/38/371986238.db2.gz QRSKDOUTQJOKJO-UHFFFAOYSA-N 2 2 298.430 3.472 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452450 371991509 /nfs/dbraw/zinc/99/15/09/371991509.db2.gz MLGJQULQKZUYAA-SMDDNHRTSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452450 371991512 /nfs/dbraw/zinc/99/15/12/371991512.db2.gz MLGJQULQKZUYAA-SMDDNHRTSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1F ZINC000290452450 371991513 /nfs/dbraw/zinc/99/15/13/371991513.db2.gz MLGJQULQKZUYAA-SMDDNHRTSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Cl)c1F ZINC000290452450 371991516 /nfs/dbraw/zinc/99/15/16/371991516.db2.gz MLGJQULQKZUYAA-SMDDNHRTSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)[C@H]1CCC[NH2+]1 ZINC000423150800 371992468 /nfs/dbraw/zinc/99/24/68/371992468.db2.gz ZFVQNAWHCJXNAL-OGHNNQOOSA-N 2 2 258.409 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C ZINC000423169056 371999862 /nfs/dbraw/zinc/99/98/62/371999862.db2.gz ISGXHGOVHFIIOG-IEBWSBKVSA-N 2 2 295.430 3.281 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423196466 372020646 /nfs/dbraw/zinc/02/06/46/372020646.db2.gz VKLKXEQDXFJCTF-VHSXEESVSA-N 2 2 258.818 3.194 20 0 CGADLP COc1ccc([C@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423203168 372026596 /nfs/dbraw/zinc/02/65/96/372026596.db2.gz MHTYDBPCVGSVGY-WBVHZDCISA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000423247799 372042500 /nfs/dbraw/zinc/04/25/00/372042500.db2.gz PUSYAXSHRVCAMT-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423251459 372043738 /nfs/dbraw/zinc/04/37/38/372043738.db2.gz WGKUFUAEWKUENW-ZIAGYGMSSA-N 2 2 287.432 3.119 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)c2ccsc2S1 ZINC000423275921 372045584 /nfs/dbraw/zinc/04/55/84/372045584.db2.gz MIBVIYVRVDJNAV-XXILOJSOSA-N 2 2 268.451 3.000 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423298891 372049641 /nfs/dbraw/zinc/04/96/41/372049641.db2.gz PCKNUUYQUFVWSZ-ZYHUDNBSSA-N 2 2 286.341 3.198 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423329125 372051946 /nfs/dbraw/zinc/05/19/46/372051946.db2.gz ONULSKMTJCBUSF-NEPJUHHUSA-N 2 2 260.381 3.301 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423366255 372056583 /nfs/dbraw/zinc/05/65/83/372056583.db2.gz QBUQJUYCFZAXAE-SGMGOOAPSA-N 2 2 264.438 3.057 20 0 CGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423367999 372056636 /nfs/dbraw/zinc/05/66/36/372056636.db2.gz MTWYYYSYCXAUEM-UWVGGRQHSA-N 2 2 293.411 3.255 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000157099226 372006764 /nfs/dbraw/zinc/00/67/64/372006764.db2.gz VJJAFVPYJLOYPU-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000157099226 372006769 /nfs/dbraw/zinc/00/67/69/372006769.db2.gz VJJAFVPYJLOYPU-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP COC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1 ZINC000423176168 372006834 /nfs/dbraw/zinc/00/68/34/372006834.db2.gz GJOSDNOXRUCSRZ-OAHLLOKOSA-N 2 2 296.842 3.279 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423404314 372059693 /nfs/dbraw/zinc/05/96/93/372059693.db2.gz ZVQJXFRIKQXYOR-IAGOWNOFSA-N 2 2 287.451 3.291 20 0 CGADLP COC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423498524 372069903 /nfs/dbraw/zinc/06/99/03/372069903.db2.gz IBVMYSMHDRWXRC-JKSUJKDBSA-N 2 2 296.842 3.135 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040672793 541870221 /nfs/dbraw/zinc/87/02/21/541870221.db2.gz PBCURADTYHIUJW-SIWZUTFBSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040672793 541870228 /nfs/dbraw/zinc/87/02/28/541870228.db2.gz PBCURADTYHIUJW-SIWZUTFBSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000292323006 372188777 /nfs/dbraw/zinc/18/87/77/372188777.db2.gz OUZQZXWFOPYUHH-LBPRGKRZSA-N 2 2 279.815 3.046 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000292323006 372188787 /nfs/dbraw/zinc/18/87/87/372188787.db2.gz OUZQZXWFOPYUHH-LBPRGKRZSA-N 2 2 279.815 3.046 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000428848828 372269304 /nfs/dbraw/zinc/26/93/04/372269304.db2.gz KAPHNCAQSBMNIU-VHSXEESVSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000428848828 372269308 /nfs/dbraw/zinc/26/93/08/372269308.db2.gz KAPHNCAQSBMNIU-VHSXEESVSA-N 2 2 292.370 3.339 20 0 CGADLP Fc1ccc2nc(C[NH2+]CCC[NH+]3CCCC3)sc2c1 ZINC000428874776 372277388 /nfs/dbraw/zinc/27/73/88/372277388.db2.gz PZKRXSQZZRKISE-UHFFFAOYSA-N 2 2 293.411 3.011 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cscn1 ZINC000162325542 372387729 /nfs/dbraw/zinc/38/77/29/372387729.db2.gz YTSMVOYTTRNBOF-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cscn1 ZINC000162325542 372387733 /nfs/dbraw/zinc/38/77/33/372387733.db2.gz YTSMVOYTTRNBOF-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+](C)Cc1ccccc1 ZINC000344374119 217174196 /nfs/dbraw/zinc/17/41/96/217174196.db2.gz UKOLSZSKNMTEOI-SJORKVTESA-N 2 2 272.436 3.453 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+](C)Cc1ccccc1 ZINC000344374119 217174198 /nfs/dbraw/zinc/17/41/98/217174198.db2.gz UKOLSZSKNMTEOI-SJORKVTESA-N 2 2 272.436 3.453 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1Cl ZINC000163809384 372493221 /nfs/dbraw/zinc/49/32/21/372493221.db2.gz FWTZZVUDNIAZQA-GFCCVEGCSA-N 2 2 290.798 3.283 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293880315 372510794 /nfs/dbraw/zinc/51/07/94/372510794.db2.gz DBQZLKWLGRLSSS-GOSISDBHSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293880315 372510802 /nfs/dbraw/zinc/51/08/02/372510802.db2.gz DBQZLKWLGRLSSS-GOSISDBHSA-N 2 2 290.451 3.053 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)[C@@H](C)C1 ZINC000344469544 217202307 /nfs/dbraw/zinc/20/23/07/217202307.db2.gz GNRKZLIYDINDHI-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)[C@@H](C)C1 ZINC000344469544 217202311 /nfs/dbraw/zinc/20/23/11/217202311.db2.gz GNRKZLIYDINDHI-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP Cc1cccc(C[NH+]2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000166414718 372572498 /nfs/dbraw/zinc/57/24/98/372572498.db2.gz NGSAYXKSBRYQAY-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+](C)CCCOC)c1ccc(C)cc1 ZINC000166723638 372580773 /nfs/dbraw/zinc/58/07/73/372580773.db2.gz DXWUXRNWABKAFU-KRWDZBQOSA-N 2 2 278.440 3.004 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+](C)CCCOC)c1ccc(C)cc1 ZINC000166723638 372580776 /nfs/dbraw/zinc/58/07/76/372580776.db2.gz DXWUXRNWABKAFU-KRWDZBQOSA-N 2 2 278.440 3.004 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000168652890 372614408 /nfs/dbraw/zinc/61/44/08/372614408.db2.gz VUXYPJLOSRORIS-CYBMUJFWSA-N 2 2 267.376 3.131 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000168652890 372614414 /nfs/dbraw/zinc/61/44/14/372614414.db2.gz VUXYPJLOSRORIS-CYBMUJFWSA-N 2 2 267.376 3.131 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cc2ccccc2s1 ZINC000169181011 372627754 /nfs/dbraw/zinc/62/77/54/372627754.db2.gz PNNUSPQNQPTBMZ-JTQLQIEISA-N 2 2 257.362 3.475 20 0 CGADLP COCC[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167875031 372605185 /nfs/dbraw/zinc/60/51/85/372605185.db2.gz RPRMSOSMCCRLDR-LSDHHAIUSA-N 2 2 278.440 3.130 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054491 372732617 /nfs/dbraw/zinc/73/26/17/372732617.db2.gz CZHCNBIKTIAXJO-IAOVAPTHSA-N 2 2 298.386 3.451 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000435054491 372732626 /nfs/dbraw/zinc/73/26/26/372732626.db2.gz CZHCNBIKTIAXJO-IAOVAPTHSA-N 2 2 298.386 3.451 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCc2ccccc2)c[nH+]1 ZINC000353388226 220058816 /nfs/dbraw/zinc/05/88/16/220058816.db2.gz YJZIBJHYIOIJAP-UHFFFAOYSA-N 2 2 268.404 3.497 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCc2ccccc2)c[nH+]1 ZINC000353388226 220058820 /nfs/dbraw/zinc/05/88/20/220058820.db2.gz YJZIBJHYIOIJAP-UHFFFAOYSA-N 2 2 268.404 3.497 20 0 CGADLP CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435394552 372758413 /nfs/dbraw/zinc/75/84/13/372758413.db2.gz NYGJFRSLCBNEBX-AWEZNQCLSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435394552 372758418 /nfs/dbraw/zinc/75/84/18/372758418.db2.gz NYGJFRSLCBNEBX-AWEZNQCLSA-N 2 2 295.496 3.405 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(OCC(C)C)CC2)c[nH+]1 ZINC000353448677 220087818 /nfs/dbraw/zinc/08/78/18/220087818.db2.gz LNKJMWFBWFQZRK-UHFFFAOYSA-N 2 2 290.451 3.460 20 0 CGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCSC1 ZINC000295996121 372988465 /nfs/dbraw/zinc/98/84/65/372988465.db2.gz KQHCIIZIWNOTKV-LLVKDONJSA-N 2 2 293.823 3.121 20 0 CGADLP C[NH+](CCC[N@@H+](C)CC1CCCC1)Cc1ccco1 ZINC000353552567 220153244 /nfs/dbraw/zinc/15/32/44/220153244.db2.gz YXWRSQZMVFTXQA-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)CC1CCCC1)Cc1ccco1 ZINC000353552567 220153245 /nfs/dbraw/zinc/15/32/45/220153245.db2.gz YXWRSQZMVFTXQA-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCCC1 ZINC000353552567 220153248 /nfs/dbraw/zinc/15/32/48/220153248.db2.gz YXWRSQZMVFTXQA-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCCC1 ZINC000353552567 220153249 /nfs/dbraw/zinc/15/32/49/220153249.db2.gz YXWRSQZMVFTXQA-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000442870260 373112124 /nfs/dbraw/zinc/11/21/24/373112124.db2.gz FZROEKZJSGTCAN-STQMWFEESA-N 2 2 287.432 3.271 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000173527321 373152696 /nfs/dbraw/zinc/15/26/96/373152696.db2.gz YNLNIWRXOOTVKD-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527321 373152704 /nfs/dbraw/zinc/15/27/04/373152704.db2.gz YNLNIWRXOOTVKD-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527321 373152709 /nfs/dbraw/zinc/15/27/09/373152709.db2.gz YNLNIWRXOOTVKD-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527321 373152711 /nfs/dbraw/zinc/15/27/11/373152711.db2.gz YNLNIWRXOOTVKD-RHSMWYFYSA-N 2 2 299.418 3.256 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000296534674 373167369 /nfs/dbraw/zinc/16/73/69/373167369.db2.gz STKBNPPKFKLDLW-MRXNPFEDSA-N 2 2 297.402 3.064 20 0 CGADLP c1c[nH+]c([C@@H](Nc2cc(C3CC3)cc[nH+]2)c2cccnc2)[nH]1 ZINC000353555861 220156225 /nfs/dbraw/zinc/15/62/25/220156225.db2.gz DVRKXPSVMBWTKY-INIZCTEOSA-N 2 2 291.358 3.279 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000296669293 373215507 /nfs/dbraw/zinc/21/55/07/373215507.db2.gz KQRPAVJMTJSDQU-INMHGKMJSA-N 2 2 269.392 3.150 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000296669293 373215511 /nfs/dbraw/zinc/21/55/11/373215511.db2.gz KQRPAVJMTJSDQU-INMHGKMJSA-N 2 2 269.392 3.150 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000444702494 373245078 /nfs/dbraw/zinc/24/50/78/373245078.db2.gz RNQLXBVKKHTUEI-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444702494 373245093 /nfs/dbraw/zinc/24/50/93/373245093.db2.gz RNQLXBVKKHTUEI-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098297 373250002 /nfs/dbraw/zinc/25/00/02/373250002.db2.gz NQWLSAHQCJSDGG-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098297 373250009 /nfs/dbraw/zinc/25/00/09/373250009.db2.gz NQWLSAHQCJSDGG-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899289 217349706 /nfs/dbraw/zinc/34/97/06/217349706.db2.gz DWEKYOGOJQPLOJ-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899289 217349707 /nfs/dbraw/zinc/34/97/07/217349707.db2.gz DWEKYOGOJQPLOJ-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899291 217350216 /nfs/dbraw/zinc/35/02/16/217350216.db2.gz DWEKYOGOJQPLOJ-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000344899291 217350219 /nfs/dbraw/zinc/35/02/19/217350219.db2.gz DWEKYOGOJQPLOJ-DNVCBOLYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(F)c1 ZINC000446886381 373376594 /nfs/dbraw/zinc/37/65/94/373376594.db2.gz FYBWGXBNDSXHAA-KCXAZCMYSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(F)c1 ZINC000446886381 373376599 /nfs/dbraw/zinc/37/65/99/373376599.db2.gz FYBWGXBNDSXHAA-KCXAZCMYSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000174516557 373331470 /nfs/dbraw/zinc/33/14/70/373331470.db2.gz FWVBHSNFFQKZLL-RHSMWYFYSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@H+]1C ZINC000174516557 373331476 /nfs/dbraw/zinc/33/14/76/373331476.db2.gz FWVBHSNFFQKZLL-RHSMWYFYSA-N 2 2 288.435 3.048 20 0 CGADLP COC1(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CCC1 ZINC000446853094 373371786 /nfs/dbraw/zinc/37/17/86/373371786.db2.gz OBTSKKNLBFWKRU-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP COC1(C[C@@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)CCC1 ZINC000446853094 373371789 /nfs/dbraw/zinc/37/17/89/373371789.db2.gz OBTSKKNLBFWKRU-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000447983220 373533921 /nfs/dbraw/zinc/53/39/21/373533921.db2.gz PXWIJTNWUXQBDM-BNEJOLLZSA-N 2 2 272.436 3.411 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000447983220 373533929 /nfs/dbraw/zinc/53/39/29/373533929.db2.gz PXWIJTNWUXQBDM-BNEJOLLZSA-N 2 2 272.436 3.411 20 0 CGADLP CCO[C@H]1C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647944 220221415 /nfs/dbraw/zinc/22/14/15/220221415.db2.gz IBYLLWKHYFFNSK-SJORKVTESA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647944 220221416 /nfs/dbraw/zinc/22/14/16/220221416.db2.gz IBYLLWKHYFFNSK-SJORKVTESA-N 2 2 290.451 3.458 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[NH+](C)C)cc1 ZINC000449063593 373659658 /nfs/dbraw/zinc/65/96/58/373659658.db2.gz NABDEWMLLWHMJN-JFTQMJAMSA-N 2 2 290.451 3.007 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CSC[C@H]1C)[NH+](C)C ZINC000449268560 373673921 /nfs/dbraw/zinc/67/39/21/373673921.db2.gz HSLBOZHVEQGYLP-WTTBNOFXSA-N 2 2 292.492 3.327 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCC1 ZINC000177989001 373731317 /nfs/dbraw/zinc/73/13/17/373731317.db2.gz VCKBRSZGGDXVLG-AWEZNQCLSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000301307533 373741085 /nfs/dbraw/zinc/74/10/85/373741085.db2.gz VPZABDLAGHWZIC-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000301307533 373741092 /nfs/dbraw/zinc/74/10/92/373741092.db2.gz VPZABDLAGHWZIC-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP FC(F)(F)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179668665 373903646 /nfs/dbraw/zinc/90/36/46/373903646.db2.gz HCDIJKNTHFCZNP-UHFFFAOYSA-N 2 2 283.297 3.109 20 0 CGADLP Cc1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1C ZINC000179314847 373855586 /nfs/dbraw/zinc/85/55/86/373855586.db2.gz GQQGGULFETVPGS-UHFFFAOYSA-N 2 2 299.418 3.043 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742606 373873054 /nfs/dbraw/zinc/87/30/54/373873054.db2.gz PPCSTAUTWPHSDX-FCLVOEFKSA-N 2 2 284.447 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742606 373873063 /nfs/dbraw/zinc/87/30/63/373873063.db2.gz PPCSTAUTWPHSDX-FCLVOEFKSA-N 2 2 284.447 3.458 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742608 373873117 /nfs/dbraw/zinc/87/31/17/373873117.db2.gz PPCSTAUTWPHSDX-FZDIXFNVSA-N 2 2 284.447 3.458 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742608 373873123 /nfs/dbraw/zinc/87/31/23/373873123.db2.gz PPCSTAUTWPHSDX-FZDIXFNVSA-N 2 2 284.447 3.458 20 0 CGADLP Fc1ccc(C2([NH2+]CCC[NH+]3CCCC3)CCC2)c(F)c1 ZINC000179988841 373950706 /nfs/dbraw/zinc/95/07/06/373950706.db2.gz JOFSWYYYPKNLDA-UHFFFAOYSA-N 2 2 294.389 3.420 20 0 CGADLP CC[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302719452 373938801 /nfs/dbraw/zinc/93/88/01/373938801.db2.gz ONJDEPWJMQOQFW-UHFFFAOYSA-N 2 2 299.418 3.448 20 0 CGADLP CCc1ncc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000353673768 220247369 /nfs/dbraw/zinc/24/73/69/220247369.db2.gz SSWBRALFRMDDNQ-CYBMUJFWSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000353673768 220247374 /nfs/dbraw/zinc/24/73/74/220247374.db2.gz SSWBRALFRMDDNQ-CYBMUJFWSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000353673768 220247376 /nfs/dbraw/zinc/24/73/76/220247376.db2.gz SSWBRALFRMDDNQ-CYBMUJFWSA-N 2 2 281.469 3.012 20 0 CGADLP CCc1ncc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000353673768 220247380 /nfs/dbraw/zinc/24/73/80/220247380.db2.gz SSWBRALFRMDDNQ-CYBMUJFWSA-N 2 2 281.469 3.012 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C(C)C)cc1 ZINC000180796701 374046770 /nfs/dbraw/zinc/04/67/70/374046770.db2.gz GQQLLLGEZOCNON-QGZVFWFLSA-N 2 2 276.424 3.078 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000308758779 374177334 /nfs/dbraw/zinc/17/73/34/374177334.db2.gz XFVDDXWPEDFOSO-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000308758779 374177342 /nfs/dbraw/zinc/17/73/42/374177342.db2.gz XFVDDXWPEDFOSO-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000308763368 374179949 /nfs/dbraw/zinc/17/99/49/374179949.db2.gz ZCQYIMHJJIQGDR-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000309833148 374199367 /nfs/dbraw/zinc/19/93/67/374199367.db2.gz SXVCWXIXDAOHRO-MRXNPFEDSA-N 2 2 294.442 3.264 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000309833148 374199372 /nfs/dbraw/zinc/19/93/72/374199372.db2.gz SXVCWXIXDAOHRO-MRXNPFEDSA-N 2 2 294.442 3.264 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000312571964 374283977 /nfs/dbraw/zinc/28/39/77/374283977.db2.gz LHRLIWXYBYNBMZ-NSHDSACASA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000312571964 374283984 /nfs/dbraw/zinc/28/39/84/374283984.db2.gz LHRLIWXYBYNBMZ-NSHDSACASA-N 2 2 258.818 3.105 20 0 CGADLP C[C@H]([NH2+]CCc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000314721833 374321259 /nfs/dbraw/zinc/32/12/59/374321259.db2.gz UTBQMUCHAXPRNU-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000325049846 374358535 /nfs/dbraw/zinc/35/85/35/374358535.db2.gz PBTYFJVAEAJCES-IUODEOHRSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)C[N@H+]1C1CC1 ZINC000325049846 374358542 /nfs/dbraw/zinc/35/85/42/374358542.db2.gz PBTYFJVAEAJCES-IUODEOHRSA-N 2 2 262.441 3.170 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000328532877 374365924 /nfs/dbraw/zinc/36/59/24/374365924.db2.gz YOIVLYQXHORLFN-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000328532877 374365929 /nfs/dbraw/zinc/36/59/29/374365929.db2.gz YOIVLYQXHORLFN-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183471837 374417677 /nfs/dbraw/zinc/41/76/77/374417677.db2.gz KYICZVAKFLQFAY-KRWDZBQOSA-N 2 2 283.419 3.380 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000183471837 374417685 /nfs/dbraw/zinc/41/76/85/374417685.db2.gz KYICZVAKFLQFAY-KRWDZBQOSA-N 2 2 283.419 3.380 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCCC13CCCC3)C2 ZINC000334423542 374737682 /nfs/dbraw/zinc/73/76/82/374737682.db2.gz FSDYPUIJLANZBR-CZUORRHYSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCCC13CCCC3)CC2 ZINC000334423542 374737690 /nfs/dbraw/zinc/73/76/90/374737690.db2.gz FSDYPUIJLANZBR-CZUORRHYSA-N 2 2 273.424 3.360 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000459321317 374803405 /nfs/dbraw/zinc/80/34/05/374803405.db2.gz GKSKGRFRKMEMHK-HNNXBMFYSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000459321317 374803412 /nfs/dbraw/zinc/80/34/12/374803412.db2.gz GKSKGRFRKMEMHK-HNNXBMFYSA-N 2 2 286.410 3.372 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000459435422 374806394 /nfs/dbraw/zinc/80/63/94/374806394.db2.gz PRBJQFBQFDRVAE-UHFFFAOYSA-N 2 2 275.440 3.399 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000459435422 374806401 /nfs/dbraw/zinc/80/64/01/374806401.db2.gz PRBJQFBQFDRVAE-UHFFFAOYSA-N 2 2 275.440 3.399 20 0 CGADLP FC1(F)CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000334567828 374869375 /nfs/dbraw/zinc/86/93/75/374869375.db2.gz VRFCCYFTHFIUBF-UHFFFAOYSA-N 2 2 283.366 3.346 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334558086 374856476 /nfs/dbraw/zinc/85/64/76/374856476.db2.gz DLGHDLTXPHBODY-ZDUSSCGKSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334558086 374856480 /nfs/dbraw/zinc/85/64/80/374856480.db2.gz DLGHDLTXPHBODY-ZDUSSCGKSA-N 2 2 283.366 3.415 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[NH+](C)C ZINC000464068594 374861408 /nfs/dbraw/zinc/86/14/08/374861408.db2.gz ITNFRWKPVHZJAG-VNQPRFMTSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)(CCc1ccccc1)[NH2+]CC[NH+]1CCCCC1 ZINC000464880675 374914387 /nfs/dbraw/zinc/91/43/87/374914387.db2.gz LPYBBVMZQGMLRA-UHFFFAOYSA-N 2 2 274.452 3.473 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000468511913 374982903 /nfs/dbraw/zinc/98/29/03/374982903.db2.gz PMWUESNTNHIYOA-XOYOTBSWSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000468511913 374982910 /nfs/dbraw/zinc/98/29/10/374982910.db2.gz PMWUESNTNHIYOA-XOYOTBSWSA-N 2 2 272.436 3.253 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474030144 375073140 /nfs/dbraw/zinc/07/31/40/375073140.db2.gz FHENJSFAGKMELG-ROUUACIJSA-N 2 2 286.463 3.472 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474061543 375076457 /nfs/dbraw/zinc/07/64/57/375076457.db2.gz SMNOXQHLOSHIKW-GOEBONIOSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000474061543 375076460 /nfs/dbraw/zinc/07/64/60/375076460.db2.gz SMNOXQHLOSHIKW-GOEBONIOSA-N 2 2 262.441 3.316 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187857585 375108337 /nfs/dbraw/zinc/10/83/37/375108337.db2.gz MPSNGOJRZJDRNO-DLBZAZTESA-N 2 2 260.425 3.038 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187857585 375108342 /nfs/dbraw/zinc/10/83/42/375108342.db2.gz MPSNGOJRZJDRNO-DLBZAZTESA-N 2 2 260.425 3.038 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000474724133 375127613 /nfs/dbraw/zinc/12/76/13/375127613.db2.gz ASKZRHISWYVWHA-DZKIICNBSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000474724133 375127619 /nfs/dbraw/zinc/12/76/19/375127619.db2.gz ASKZRHISWYVWHA-DZKIICNBSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335147140 375172881 /nfs/dbraw/zinc/17/28/81/375172881.db2.gz DUYIXDJFKIIXJX-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335147140 375172888 /nfs/dbraw/zinc/17/28/88/375172888.db2.gz DUYIXDJFKIIXJX-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000188278900 375188423 /nfs/dbraw/zinc/18/84/23/375188423.db2.gz VYADBMOGFZIUDI-YHWZYXNKSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000188278900 375188426 /nfs/dbraw/zinc/18/84/26/375188426.db2.gz VYADBMOGFZIUDI-YHWZYXNKSA-N 2 2 294.826 3.063 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433302 375308520 /nfs/dbraw/zinc/30/85/20/375308520.db2.gz HWLDNKDPBLHKQP-QXSJWSMHSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433302 375308526 /nfs/dbraw/zinc/30/85/26/375308526.db2.gz HWLDNKDPBLHKQP-QXSJWSMHSA-N 2 2 284.513 3.227 20 0 CGADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000188774716 375267807 /nfs/dbraw/zinc/26/78/07/375267807.db2.gz LTXLHGJZZVFYBI-CYBMUJFWSA-N 2 2 291.439 3.004 20 0 CGADLP Cc1nc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cs1 ZINC000189764539 375443803 /nfs/dbraw/zinc/44/38/03/375443803.db2.gz RPABDYQJMWYDHD-ZFWWWQNUSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000189764539 375443810 /nfs/dbraw/zinc/44/38/10/375443810.db2.gz RPABDYQJMWYDHD-ZFWWWQNUSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cs1 ZINC000189764539 375443816 /nfs/dbraw/zinc/44/38/16/375443816.db2.gz RPABDYQJMWYDHD-ZFWWWQNUSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cs1 ZINC000189764539 375443821 /nfs/dbraw/zinc/44/38/21/375443821.db2.gz RPABDYQJMWYDHD-ZFWWWQNUSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1[nH+]cn(Cc2ccc(-n3cc[nH+]c3)cc2C)c1C ZINC000192024300 375689762 /nfs/dbraw/zinc/68/97/62/375689762.db2.gz LXPUFVSETYIYPW-UHFFFAOYSA-N 2 2 266.348 3.042 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000192173687 375706649 /nfs/dbraw/zinc/70/66/49/375706649.db2.gz MAYUZHOOYSDZGU-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000336699370 375910290 /nfs/dbraw/zinc/91/02/90/375910290.db2.gz CUFVXZZQWRHDDK-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000336699370 375910296 /nfs/dbraw/zinc/91/02/96/375910296.db2.gz CUFVXZZQWRHDDK-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CSC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCC1 ZINC000193652655 375902877 /nfs/dbraw/zinc/90/28/77/375902877.db2.gz AZFDHGLIGCNSBK-UHFFFAOYSA-N 2 2 275.421 3.018 20 0 CGADLP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+](C)C ZINC000336738891 375927475 /nfs/dbraw/zinc/92/74/75/375927475.db2.gz KQUHTWPXSHENOF-QMMMGPOBSA-N 2 2 281.252 3.342 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580031 375992491 /nfs/dbraw/zinc/99/24/91/375992491.db2.gz MWUGQBYRVAZZIB-JKSUJKDBSA-N 2 2 269.392 3.361 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580031 375992496 /nfs/dbraw/zinc/99/24/96/375992496.db2.gz MWUGQBYRVAZZIB-JKSUJKDBSA-N 2 2 269.392 3.361 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534972432 376009670 /nfs/dbraw/zinc/00/96/70/376009670.db2.gz PHONNHDRSOUDTO-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534972432 376009672 /nfs/dbraw/zinc/00/96/72/376009672.db2.gz PHONNHDRSOUDTO-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000336902372 376026319 /nfs/dbraw/zinc/02/63/19/376026319.db2.gz UKXSGHSZCBSASP-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2)C1 ZINC000336902372 376026324 /nfs/dbraw/zinc/02/63/24/376026324.db2.gz UKXSGHSZCBSASP-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC2(C)C)n1-c1ccccc1 ZINC000336829167 375989348 /nfs/dbraw/zinc/98/93/48/375989348.db2.gz AFAMTEDRXJIPPZ-MRXNPFEDSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860506 376137149 /nfs/dbraw/zinc/13/71/49/376137149.db2.gz ZPRAGEFTAVLENT-CJNGLKHVSA-N 2 2 296.842 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860506 376137155 /nfs/dbraw/zinc/13/71/55/376137155.db2.gz ZPRAGEFTAVLENT-CJNGLKHVSA-N 2 2 296.842 3.039 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000537012303 376145882 /nfs/dbraw/zinc/14/58/82/376145882.db2.gz LDWYPFJWSROGHQ-IAGOWNOFSA-N 2 2 292.492 3.411 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1F ZINC000337223078 376148725 /nfs/dbraw/zinc/14/87/25/376148725.db2.gz MKZAEYQLHUBIFT-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Cl)c1F ZINC000337223078 376148734 /nfs/dbraw/zinc/14/87/34/376148734.db2.gz MKZAEYQLHUBIFT-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538264058 376228147 /nfs/dbraw/zinc/22/81/47/376228147.db2.gz AWYJBFKVYPFGDR-GXTWGEPZSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538264058 376228153 /nfs/dbraw/zinc/22/81/53/376228153.db2.gz AWYJBFKVYPFGDR-GXTWGEPZSA-N 2 2 273.355 3.110 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)ccn1 ZINC000338001471 376253241 /nfs/dbraw/zinc/25/32/41/376253241.db2.gz XUEUIUJGLNXONI-MOPGFXCFSA-N 2 2 299.462 3.214 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000223822090 376264236 /nfs/dbraw/zinc/26/42/36/376264236.db2.gz ROMFGYLHMBMXIJ-GFCCVEGCSA-N 2 2 282.378 3.490 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000539046639 376287874 /nfs/dbraw/zinc/28/78/74/376287874.db2.gz LYIYXAZDRHLDLQ-RKVPGOIHSA-N 2 2 274.452 3.281 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000539046639 376287880 /nfs/dbraw/zinc/28/78/80/376287880.db2.gz LYIYXAZDRHLDLQ-RKVPGOIHSA-N 2 2 274.452 3.281 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000539086571 376293535 /nfs/dbraw/zinc/29/35/35/376293535.db2.gz BTNFMOUALQBRLQ-GJYPPUQNSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000539086571 376293538 /nfs/dbraw/zinc/29/35/38/376293538.db2.gz BTNFMOUALQBRLQ-GJYPPUQNSA-N 2 2 286.463 3.307 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000338262385 376300992 /nfs/dbraw/zinc/30/09/92/376300992.db2.gz FWDYIBBOKXEXEF-CYBMUJFWSA-N 2 2 266.454 3.399 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2sccc2[C@H]1C ZINC000338262385 376301002 /nfs/dbraw/zinc/30/10/02/376301002.db2.gz FWDYIBBOKXEXEF-CYBMUJFWSA-N 2 2 266.454 3.399 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000227674294 376404521 /nfs/dbraw/zinc/40/45/21/376404521.db2.gz LFCCFIUTRNJHDS-KOLCDFICSA-N 2 2 273.302 3.030 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226434507 376359853 /nfs/dbraw/zinc/35/98/53/376359853.db2.gz YHGIAILCZSBCHS-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226434507 376359859 /nfs/dbraw/zinc/35/98/59/376359859.db2.gz YHGIAILCZSBCHS-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338777645 376527932 /nfs/dbraw/zinc/52/79/32/376527932.db2.gz ATHHFDDBYLKTRY-DHXZDTOLSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338777645 376527935 /nfs/dbraw/zinc/52/79/35/376527935.db2.gz ATHHFDDBYLKTRY-DHXZDTOLSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)[N@H+](C)C1CC1 ZINC000542471042 376545409 /nfs/dbraw/zinc/54/54/09/376545409.db2.gz OMVCFFRDBAANJM-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)[N@@H+](C)C1CC1 ZINC000542471042 376545417 /nfs/dbraw/zinc/54/54/17/376545417.db2.gz OMVCFFRDBAANJM-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000543084459 376605510 /nfs/dbraw/zinc/60/55/10/376605510.db2.gz ZLYUCPBZPGOZAP-TZMCWYRMSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000543084459 376605516 /nfs/dbraw/zinc/60/55/16/376605516.db2.gz ZLYUCPBZPGOZAP-TZMCWYRMSA-N 2 2 275.421 3.282 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000542776968 376577862 /nfs/dbraw/zinc/57/78/62/376577862.db2.gz AFCJMOPIMVROPF-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000542776968 376577870 /nfs/dbraw/zinc/57/78/70/376577870.db2.gz AFCJMOPIMVROPF-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000542776968 376577876 /nfs/dbraw/zinc/57/78/76/376577876.db2.gz AFCJMOPIMVROPF-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000542776968 376577881 /nfs/dbraw/zinc/57/78/81/376577881.db2.gz AFCJMOPIMVROPF-AEFFLSMTSA-N 2 2 288.435 3.001 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000235500310 376641092 /nfs/dbraw/zinc/64/10/92/376641092.db2.gz BRMAFKSXRZZYAW-GXFFZTMASA-N 2 2 281.469 3.189 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157626119 542134953 /nfs/dbraw/zinc/13/49/53/542134953.db2.gz GKAGURAIIMNGCE-OALUTQOASA-N 2 2 284.447 3.082 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157626119 542134956 /nfs/dbraw/zinc/13/49/56/542134956.db2.gz GKAGURAIIMNGCE-OALUTQOASA-N 2 2 284.447 3.082 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157792635 542138971 /nfs/dbraw/zinc/13/89/71/542138971.db2.gz JTGUUFFJMGPQTH-NVXWUHKLSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157792635 542138976 /nfs/dbraw/zinc/13/89/76/542138976.db2.gz JTGUUFFJMGPQTH-NVXWUHKLSA-N 2 2 290.838 3.401 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157781139 542139364 /nfs/dbraw/zinc/13/93/64/542139364.db2.gz KATRRUMFFFTILH-FUHWJXTLSA-N 2 2 270.420 3.138 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157781139 542139368 /nfs/dbraw/zinc/13/93/68/542139368.db2.gz KATRRUMFFFTILH-FUHWJXTLSA-N 2 2 270.420 3.138 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)n2c1 ZINC000245551151 376849415 /nfs/dbraw/zinc/84/94/15/376849415.db2.gz AWWSPWHAQPRTCL-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)n2c1 ZINC000245551151 376849418 /nfs/dbraw/zinc/84/94/18/376849418.db2.gz AWWSPWHAQPRTCL-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000245565284 376855651 /nfs/dbraw/zinc/85/56/51/376855651.db2.gz ROZWEWBEKXEYIA-IRXDYDNUSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000245565284 376855655 /nfs/dbraw/zinc/85/56/55/376855655.db2.gz ROZWEWBEKXEYIA-IRXDYDNUSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000245565284 376855659 /nfs/dbraw/zinc/85/56/59/376855659.db2.gz ROZWEWBEKXEYIA-IRXDYDNUSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000245565284 376855663 /nfs/dbraw/zinc/85/56/63/376855663.db2.gz ROZWEWBEKXEYIA-IRXDYDNUSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000245885927 376924978 /nfs/dbraw/zinc/92/49/78/376924978.db2.gz LMLIZJJIEFGWLN-JKSUJKDBSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000245885927 376924981 /nfs/dbraw/zinc/92/49/81/376924981.db2.gz LMLIZJJIEFGWLN-JKSUJKDBSA-N 2 2 283.419 3.253 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C ZINC000557273290 376928404 /nfs/dbraw/zinc/92/84/04/376928404.db2.gz JJHYCUQTPJTLAH-OAGGEKHMSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C(C)C ZINC000557273290 376928410 /nfs/dbraw/zinc/92/84/10/376928410.db2.gz JJHYCUQTPJTLAH-OAGGEKHMSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176514 376983301 /nfs/dbraw/zinc/98/33/01/376983301.db2.gz JUHYADZFHKNQGF-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176514 376983303 /nfs/dbraw/zinc/98/33/03/376983303.db2.gz JUHYADZFHKNQGF-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000558220874 376985468 /nfs/dbraw/zinc/98/54/68/376985468.db2.gz DBOQHRRTFISWGG-FCLVOEFKSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000558220874 376985479 /nfs/dbraw/zinc/98/54/79/376985479.db2.gz DBOQHRRTFISWGG-FCLVOEFKSA-N 2 2 284.447 3.428 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246915742 377119149 /nfs/dbraw/zinc/11/91/49/377119149.db2.gz GMAMMZULEGZDMY-JSGCOSHPSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246915742 377119153 /nfs/dbraw/zinc/11/91/53/377119153.db2.gz GMAMMZULEGZDMY-JSGCOSHPSA-N 2 2 280.412 3.046 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000559892726 377102451 /nfs/dbraw/zinc/10/24/51/377102451.db2.gz YZSQMKDSZNHHFY-BZUAXINKSA-N 2 2 294.389 3.142 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000559892726 377102463 /nfs/dbraw/zinc/10/24/63/377102463.db2.gz YZSQMKDSZNHHFY-BZUAXINKSA-N 2 2 294.389 3.142 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000561784336 377245331 /nfs/dbraw/zinc/24/53/31/377245331.db2.gz ZMUZTWQUDLATQU-PVAVHDDUSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000561784336 377245335 /nfs/dbraw/zinc/24/53/35/377245335.db2.gz ZMUZTWQUDLATQU-PVAVHDDUSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247998960 377255249 /nfs/dbraw/zinc/25/52/49/377255249.db2.gz KEYPZJBZEOVMHD-YDHLFZDLSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247998960 377255255 /nfs/dbraw/zinc/25/52/55/377255255.db2.gz KEYPZJBZEOVMHD-YDHLFZDLSA-N 2 2 292.471 3.080 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562667321 377344887 /nfs/dbraw/zinc/34/48/87/377344887.db2.gz YIEXEFSKDVLTOR-GXTWGEPZSA-N 2 2 295.386 3.234 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000562667321 377344893 /nfs/dbraw/zinc/34/48/93/377344893.db2.gz YIEXEFSKDVLTOR-GXTWGEPZSA-N 2 2 295.386 3.234 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000249042135 377448117 /nfs/dbraw/zinc/44/81/17/377448117.db2.gz VHRCCQMCSRHWIM-CHWSQXEVSA-N 2 2 281.469 3.259 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000249042135 377448124 /nfs/dbraw/zinc/44/81/24/377448124.db2.gz VHRCCQMCSRHWIM-CHWSQXEVSA-N 2 2 281.469 3.259 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@@H+]1C1CC1 ZINC000249060171 377452128 /nfs/dbraw/zinc/45/21/28/377452128.db2.gz HOLWARICXBOIDU-KBXIAJHMSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@H+]1C1CC1 ZINC000249060171 377452133 /nfs/dbraw/zinc/45/21/33/377452133.db2.gz HOLWARICXBOIDU-KBXIAJHMSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000162644745 542164647 /nfs/dbraw/zinc/16/46/47/542164647.db2.gz XADSXPULOQIKLV-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000162644745 542164652 /nfs/dbraw/zinc/16/46/52/542164652.db2.gz XADSXPULOQIKLV-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc2c(C)cc(NCCNc3cccc[nH+]3)[nH+]c2c1 ZINC000514850610 249191957 /nfs/dbraw/zinc/19/19/57/249191957.db2.gz PKISKCJPGDKWDO-UHFFFAOYSA-N 2 2 292.386 3.193 20 0 CGADLP COc1ccc([C@H]([NH2+]CCCC2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000573711601 377566627 /nfs/dbraw/zinc/56/66/27/377566627.db2.gz RMQNXACUXUACEB-ROUUACIJSA-N 2 2 288.435 3.268 20 0 CGADLP CSc1cc(C)ccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000515870226 249222736 /nfs/dbraw/zinc/22/27/36/249222736.db2.gz MNUXWEALBZGTKN-UHFFFAOYSA-N 2 2 275.421 3.049 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251545915 377586425 /nfs/dbraw/zinc/58/64/25/377586425.db2.gz AZJKSOQOMTUDED-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC[C@H]1[NH3+] ZINC000251545915 377586430 /nfs/dbraw/zinc/58/64/30/377586430.db2.gz AZJKSOQOMTUDED-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251801025 377601467 /nfs/dbraw/zinc/60/14/67/377601467.db2.gz YJEJMCGVHZIAON-ZWNOBZJWSA-N 2 2 272.314 3.060 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251801025 377601473 /nfs/dbraw/zinc/60/14/73/377601473.db2.gz YJEJMCGVHZIAON-ZWNOBZJWSA-N 2 2 272.314 3.060 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000341966918 377626226 /nfs/dbraw/zinc/62/62/26/377626226.db2.gz ILTJULLIAIURII-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000341966918 377626235 /nfs/dbraw/zinc/62/62/35/377626235.db2.gz ILTJULLIAIURII-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000252713669 377655555 /nfs/dbraw/zinc/65/55/55/377655555.db2.gz PWZAXWMCZKHWMK-OHFALNGGSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000252713669 377655564 /nfs/dbraw/zinc/65/55/64/377655564.db2.gz PWZAXWMCZKHWMK-OHFALNGGSA-N 2 2 264.457 3.416 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574691763 377694903 /nfs/dbraw/zinc/69/49/03/377694903.db2.gz PRVOIMSOTXPPGI-UBZMYNMCSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574691763 377694909 /nfs/dbraw/zinc/69/49/09/377694909.db2.gz PRVOIMSOTXPPGI-UBZMYNMCSA-N 2 2 288.410 3.445 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000342630491 377698816 /nfs/dbraw/zinc/69/88/16/377698816.db2.gz VCMYYYDBKIHSHX-ARWYELJZSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000342630491 377698823 /nfs/dbraw/zinc/69/88/23/377698823.db2.gz VCMYYYDBKIHSHX-ARWYELJZSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000252970244 377671824 /nfs/dbraw/zinc/67/18/24/377671824.db2.gz WVZXQEOMYCYJOE-CSMYWGQOSA-N 2 2 254.377 3.085 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000255067895 377728786 /nfs/dbraw/zinc/72/87/86/377728786.db2.gz AWRHPAIETWGDQK-PVLDGPILSA-N 2 2 270.420 3.305 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000255067895 377728793 /nfs/dbraw/zinc/72/87/93/377728793.db2.gz AWRHPAIETWGDQK-PVLDGPILSA-N 2 2 270.420 3.305 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000261650986 377834660 /nfs/dbraw/zinc/83/46/60/377834660.db2.gz RYTALCAJDHOOFY-RBSFLKMASA-N 2 2 293.480 3.106 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871672 377863335 /nfs/dbraw/zinc/86/33/35/377863335.db2.gz XJZYUXHKOFSAJS-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871672 377863339 /nfs/dbraw/zinc/86/33/39/377863339.db2.gz XJZYUXHKOFSAJS-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000262141891 377889055 /nfs/dbraw/zinc/88/90/55/377889055.db2.gz MNJYQFPXESGPJF-INMHGKMJSA-N 2 2 298.430 3.257 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000343413733 377974126 /nfs/dbraw/zinc/97/41/26/377974126.db2.gz ILDQPVQCCZBLSU-UHFFFAOYSA-N 2 2 290.436 3.048 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515669 378003134 /nfs/dbraw/zinc/00/31/34/378003134.db2.gz AARQTUIIGYMURW-YOEHRIQHSA-N 2 2 292.471 3.077 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515669 378003141 /nfs/dbraw/zinc/00/31/41/378003141.db2.gz AARQTUIIGYMURW-YOEHRIQHSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515669 378003147 /nfs/dbraw/zinc/00/31/47/378003147.db2.gz AARQTUIIGYMURW-YOEHRIQHSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515669 378003153 /nfs/dbraw/zinc/00/31/53/378003153.db2.gz AARQTUIIGYMURW-YOEHRIQHSA-N 2 2 292.471 3.077 20 0 CGADLP c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]c1 ZINC000267506740 378040539 /nfs/dbraw/zinc/04/05/39/378040539.db2.gz HMFOIWDYRCLOIP-INIZCTEOSA-N 2 2 273.424 3.174 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccncc3)C2)CC1 ZINC000266021218 190224265 /nfs/dbraw/zinc/22/42/65/190224265.db2.gz OWMPEYIOOFIADH-SFHVURJKSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000266021218 190224266 /nfs/dbraw/zinc/22/42/66/190224266.db2.gz OWMPEYIOOFIADH-SFHVURJKSA-N 2 2 287.451 3.026 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H](F)C2)c[nH+]1 ZINC000577870813 378019985 /nfs/dbraw/zinc/01/99/85/378019985.db2.gz SPHOBNRLYGHAGU-CABCVRRESA-N 2 2 250.361 3.193 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578903483 378112434 /nfs/dbraw/zinc/11/24/34/378112434.db2.gz KAHUHIFVLTVXLI-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccccc1CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578903483 378112438 /nfs/dbraw/zinc/11/24/38/378112438.db2.gz KAHUHIFVLTVXLI-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006597 378121988 /nfs/dbraw/zinc/12/19/88/378121988.db2.gz LPTIUQAKVLPDLU-CABNGKKXSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006597 378121991 /nfs/dbraw/zinc/12/19/91/378121991.db2.gz LPTIUQAKVLPDLU-CABNGKKXSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000343897718 378127579 /nfs/dbraw/zinc/12/75/79/378127579.db2.gz YSDVCBNHAJARPJ-CVEARBPZSA-N 2 2 250.430 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@H]21 ZINC000268847641 378130440 /nfs/dbraw/zinc/13/04/40/378130440.db2.gz PZPXCGAYLHDSDG-DGCLKSJQSA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@H]21 ZINC000268847641 378130446 /nfs/dbraw/zinc/13/04/46/378130446.db2.gz PZPXCGAYLHDSDG-DGCLKSJQSA-N 2 2 299.340 3.021 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000579220580 378140724 /nfs/dbraw/zinc/14/07/24/378140724.db2.gz JGCTUBKRWVDTBP-QZTJIDSGSA-N 2 2 296.414 3.362 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2c(F)cccc2Cl)n1C ZINC000578787161 378101413 /nfs/dbraw/zinc/10/14/13/378101413.db2.gz FEGBNGDTPHHCOV-VIFPVBQESA-N 2 2 281.762 3.372 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000345154036 378206939 /nfs/dbraw/zinc/20/69/39/378206939.db2.gz CNGKXTFQQXFZRQ-XHDPSFHLSA-N 2 2 270.367 3.346 20 0 CGADLP CC1(C[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000580026311 378216432 /nfs/dbraw/zinc/21/64/32/378216432.db2.gz RPFLDIXABJCYFN-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000580026311 378216437 /nfs/dbraw/zinc/21/64/37/378216437.db2.gz RPFLDIXABJCYFN-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H](c1ccccc1)[NH+](C)C ZINC000579378970 378155628 /nfs/dbraw/zinc/15/56/28/378155628.db2.gz JHIFEIJMHBIEFI-MWTISTBLSA-N 2 2 272.436 3.456 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000269970725 378288545 /nfs/dbraw/zinc/28/85/45/378288545.db2.gz ODFQFUMLHKJWGH-WMLDXEAASA-N 2 2 269.392 3.247 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CS1 ZINC000580309603 378239455 /nfs/dbraw/zinc/23/94/55/378239455.db2.gz VTLLVFSYSOFXRG-BPUTZDHNSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CS1 ZINC000580309603 378239461 /nfs/dbraw/zinc/23/94/61/378239461.db2.gz VTLLVFSYSOFXRG-BPUTZDHNSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000580415153 378249444 /nfs/dbraw/zinc/24/94/44/378249444.db2.gz DVMTXCGJIIMPRD-SOUVJXGZSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000580415153 378249447 /nfs/dbraw/zinc/24/94/47/378249447.db2.gz DVMTXCGJIIMPRD-SOUVJXGZSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583974152 378362551 /nfs/dbraw/zinc/36/25/51/378362551.db2.gz PVFZHJSMEYYUNZ-WCQYABFASA-N 2 2 278.362 3.324 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000583974152 378362553 /nfs/dbraw/zinc/36/25/53/378362553.db2.gz PVFZHJSMEYYUNZ-WCQYABFASA-N 2 2 278.362 3.324 20 0 CGADLP CC[C@H](O)C[N@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000583690770 378340130 /nfs/dbraw/zinc/34/01/30/378340130.db2.gz GGIPGTVOEFZCJP-IBGZPJMESA-N 2 2 298.430 3.206 20 0 CGADLP CC[C@H](O)C[N@@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000583690770 378340133 /nfs/dbraw/zinc/34/01/33/378340133.db2.gz GGIPGTVOEFZCJP-IBGZPJMESA-N 2 2 298.430 3.206 20 0 CGADLP Cc1noc(C)c1C(C)(C)[NH2+]CCc1cc[nH+]cc1C ZINC000583690871 378340305 /nfs/dbraw/zinc/34/03/05/378340305.db2.gz KLXCNUJNVGNQMS-UHFFFAOYSA-N 2 2 273.380 3.062 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000270636078 378379485 /nfs/dbraw/zinc/37/94/85/378379485.db2.gz HUSOAZAEXIFHAO-NSHDSACASA-N 2 2 279.334 3.163 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000270691569 378388905 /nfs/dbraw/zinc/38/89/05/378388905.db2.gz XRCVBXMUDDCQPT-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000270691569 378388906 /nfs/dbraw/zinc/38/89/06/378388906.db2.gz XRCVBXMUDDCQPT-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)[nH]1 ZINC000271189274 378477992 /nfs/dbraw/zinc/47/79/92/378477992.db2.gz LQGYIVKBBOZHTG-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP CSC[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346158394 378483825 /nfs/dbraw/zinc/48/38/25/378483825.db2.gz BOMCOZNPGDNQBK-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP CSC[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346158394 378483829 /nfs/dbraw/zinc/48/38/29/378483829.db2.gz BOMCOZNPGDNQBK-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315603 378539850 /nfs/dbraw/zinc/53/98/50/378539850.db2.gz UEYXWMXISIWHDN-QZTJIDSGSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315603 378539855 /nfs/dbraw/zinc/53/98/55/378539855.db2.gz UEYXWMXISIWHDN-QZTJIDSGSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CCC(C)C ZINC000346324495 378544061 /nfs/dbraw/zinc/54/40/61/378544061.db2.gz LUQCKQIWTKIHSL-INIZCTEOSA-N 2 2 263.429 3.482 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000346324495 378544067 /nfs/dbraw/zinc/54/40/67/378544067.db2.gz LUQCKQIWTKIHSL-INIZCTEOSA-N 2 2 263.429 3.482 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346348110 378553578 /nfs/dbraw/zinc/55/35/78/378553578.db2.gz IPLARWLBEGXUOD-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346348110 378553583 /nfs/dbraw/zinc/55/35/83/378553583.db2.gz IPLARWLBEGXUOD-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP CC(C[NH+](C)Cc1ccoc1)C[N@H+](C)Cc1ccoc1 ZINC000346437799 378579768 /nfs/dbraw/zinc/57/97/68/378579768.db2.gz ZTPJRNVTPZUROJ-UHFFFAOYSA-N 2 2 276.380 3.073 20 0 CGADLP CC(C[NH+](C)Cc1ccoc1)C[N@@H+](C)Cc1ccoc1 ZINC000346437799 378579776 /nfs/dbraw/zinc/57/97/76/378579776.db2.gz ZTPJRNVTPZUROJ-UHFFFAOYSA-N 2 2 276.380 3.073 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCO1 ZINC000346469377 378587294 /nfs/dbraw/zinc/58/72/94/378587294.db2.gz BCULUUWQACXEJM-RRFJBIMHSA-N 2 2 294.464 3.042 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000346496998 378596228 /nfs/dbraw/zinc/59/62/28/378596228.db2.gz WWBCONQULUSUBY-HYVNUMGLSA-N 2 2 282.472 3.044 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccns3)C2)CC1 ZINC000637976238 378653979 /nfs/dbraw/zinc/65/39/79/378653979.db2.gz AWTUNMCSNUZQTC-HNNXBMFYSA-N 2 2 293.480 3.087 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccns3)C2)CC1 ZINC000637976238 378653983 /nfs/dbraw/zinc/65/39/83/378653983.db2.gz AWTUNMCSNUZQTC-HNNXBMFYSA-N 2 2 293.480 3.087 20 0 CGADLP FC(F)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000637986157 378657398 /nfs/dbraw/zinc/65/73/98/378657398.db2.gz JGPJJRVCUJDGPI-UHFFFAOYSA-N 2 2 292.333 3.122 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346646775 378659995 /nfs/dbraw/zinc/65/99/95/378659995.db2.gz MLILFEKPZUGYLX-NSHDSACASA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346646775 378660001 /nfs/dbraw/zinc/66/00/01/378660001.db2.gz MLILFEKPZUGYLX-NSHDSACASA-N 2 2 276.380 3.087 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@@H+]1C1CC1 ZINC000346697742 378680206 /nfs/dbraw/zinc/68/02/06/378680206.db2.gz GOKJYPHTXPSREA-GJZGRUSLSA-N 2 2 288.435 3.059 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@H+]1C1CC1 ZINC000346697742 378680212 /nfs/dbraw/zinc/68/02/12/378680212.db2.gz GOKJYPHTXPSREA-GJZGRUSLSA-N 2 2 288.435 3.059 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000346706578 378682414 /nfs/dbraw/zinc/68/24/14/378682414.db2.gz OBNPPKHQSWWDAQ-CWVYHPPDSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000346706578 378682419 /nfs/dbraw/zinc/68/24/19/378682419.db2.gz OBNPPKHQSWWDAQ-CWVYHPPDSA-N 2 2 262.441 3.170 20 0 CGADLP CC(C)c1nc(N2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000346728368 378686681 /nfs/dbraw/zinc/68/66/81/378686681.db2.gz XQGSTWYPGJCEPA-UHFFFAOYSA-N 2 2 288.439 3.055 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)n1 ZINC000348003370 378750669 /nfs/dbraw/zinc/75/06/69/378750669.db2.gz FTDIABIWQWXBTD-CYBMUJFWSA-N 2 2 275.421 3.438 20 0 CGADLP CC(C)O[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000638287038 378756133 /nfs/dbraw/zinc/75/61/33/378756133.db2.gz RFDSURLQSBSTQV-KRWDZBQOSA-N 2 2 287.407 3.029 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000266182594 190238253 /nfs/dbraw/zinc/23/82/53/190238253.db2.gz GOXMKTYYHVSCIU-PBHICJAKSA-N 2 2 269.392 3.210 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348121872 378799980 /nfs/dbraw/zinc/79/99/80/378799980.db2.gz RURGGDIXXCLEOQ-HOTGVXAUSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)c1nc(NCCCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000346744950 218003630 /nfs/dbraw/zinc/00/36/30/218003630.db2.gz WJKHPLIDIBNEGJ-OAHLLOKOSA-N 2 2 290.455 3.088 20 0 CGADLP CC(C)c1nc(NCCCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000346744950 218003633 /nfs/dbraw/zinc/00/36/33/218003633.db2.gz WJKHPLIDIBNEGJ-OAHLLOKOSA-N 2 2 290.455 3.088 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000348089311 378785854 /nfs/dbraw/zinc/78/58/54/378785854.db2.gz UPVVITZLVKEJKS-PAPYEOQZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[N@H+]1C1CC1 ZINC000348089311 378785858 /nfs/dbraw/zinc/78/58/58/378785858.db2.gz UPVVITZLVKEJKS-PAPYEOQZSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000348091959 378787477 /nfs/dbraw/zinc/78/74/77/378787477.db2.gz ZKUWLXBLGXFTKZ-ZFWWWQNUSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409238 378793841 /nfs/dbraw/zinc/79/38/41/378793841.db2.gz WNPZZFHMZVOYFB-CRWXNKLISA-N 2 2 288.426 3.376 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409238 378793846 /nfs/dbraw/zinc/79/38/46/378793846.db2.gz WNPZZFHMZVOYFB-CRWXNKLISA-N 2 2 288.426 3.376 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C12CCCCC2 ZINC000346797340 218017273 /nfs/dbraw/zinc/01/72/73/218017273.db2.gz SGYLNMVJFBRTIM-WCXIOVBPSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C12CCCCC2 ZINC000346797340 218017275 /nfs/dbraw/zinc/01/72/75/218017275.db2.gz SGYLNMVJFBRTIM-WCXIOVBPSA-N 2 2 294.483 3.187 20 0 CGADLP c1ccc(NCCCC[NH2+]Cc2nc3ccccc3o2)[nH+]c1 ZINC000638518376 378823334 /nfs/dbraw/zinc/82/33/34/378823334.db2.gz JSRYJBLLSMEDHW-UHFFFAOYSA-N 2 2 296.374 3.205 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc2ccccc2o1)C(C)(C)C ZINC000638602347 378848205 /nfs/dbraw/zinc/84/82/05/378848205.db2.gz BVTUWXFPJFKWHP-OAHLLOKOSA-N 2 2 289.423 3.284 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCCS1 ZINC000348234245 378853317 /nfs/dbraw/zinc/85/33/17/378853317.db2.gz WWPXJCVJANVJPF-HNNXBMFYSA-N 2 2 264.438 3.198 20 0 CGADLP c1c(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)[nH+]c2ccccn12 ZINC000348247755 378862960 /nfs/dbraw/zinc/86/29/60/378862960.db2.gz RJBRWTZRYFLQNR-AEFFLSMTSA-N 2 2 291.398 3.270 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)CCC2 ZINC000348250560 378864256 /nfs/dbraw/zinc/86/42/56/378864256.db2.gz XAVGQYJFVBLTGQ-RCCFBDPRSA-N 2 2 295.430 3.462 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)s1 ZINC000348261403 378870177 /nfs/dbraw/zinc/87/01/77/378870177.db2.gz LQWGCJVNZYBJCT-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)s1 ZINC000348261403 378870181 /nfs/dbraw/zinc/87/01/81/378870181.db2.gz LQWGCJVNZYBJCT-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC2CC2)cc1 ZINC000278520547 194024984 /nfs/dbraw/zinc/02/49/84/194024984.db2.gz COOZEVKDNALPEC-UHFFFAOYSA-N 2 2 299.418 3.194 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC2CC2)cc1 ZINC000278520547 194024985 /nfs/dbraw/zinc/02/49/85/194024985.db2.gz COOZEVKDNALPEC-UHFFFAOYSA-N 2 2 299.418 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348318524 378904215 /nfs/dbraw/zinc/90/42/15/378904215.db2.gz YLSGVSXLYIODSR-ZLKJLUDKSA-N 2 2 277.318 3.177 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000348364008 378929294 /nfs/dbraw/zinc/92/92/94/378929294.db2.gz BFCDITLEMXTNQB-ZIAGYGMSSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000347016788 218092075 /nfs/dbraw/zinc/09/20/75/218092075.db2.gz KJWNJMJJSBOCIA-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000347016788 218092078 /nfs/dbraw/zinc/09/20/78/218092078.db2.gz KJWNJMJJSBOCIA-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638836550 378930396 /nfs/dbraw/zinc/93/03/96/378930396.db2.gz IAGYJXAEUMSYLO-UMVBOHGHSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638836550 378930401 /nfs/dbraw/zinc/93/04/01/378930401.db2.gz IAGYJXAEUMSYLO-UMVBOHGHSA-N 2 2 282.378 3.140 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638870992 378943467 /nfs/dbraw/zinc/94/34/67/378943467.db2.gz IJADQDIVUXCTMJ-QDMKHBRRSA-N 2 2 283.419 3.142 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CC[C@H](C)C1 ZINC000348414115 378947393 /nfs/dbraw/zinc/94/73/93/378947393.db2.gz UWNMQILEXVOGRZ-YJBOKZPZSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CC[C@H](C)C1 ZINC000348414115 378947395 /nfs/dbraw/zinc/94/73/95/378947395.db2.gz UWNMQILEXVOGRZ-YJBOKZPZSA-N 2 2 290.451 3.460 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000347108568 218124061 /nfs/dbraw/zinc/12/40/61/218124061.db2.gz OQBJZMYFHUWRCU-LLVKDONJSA-N 2 2 294.345 3.220 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000347108568 218124062 /nfs/dbraw/zinc/12/40/62/218124062.db2.gz OQBJZMYFHUWRCU-LLVKDONJSA-N 2 2 294.345 3.220 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2F)s1 ZINC000347108271 218125360 /nfs/dbraw/zinc/12/53/60/218125360.db2.gz MQDYRONKEJFAMD-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2F)s1 ZINC000347108271 218125362 /nfs/dbraw/zinc/12/53/62/218125362.db2.gz MQDYRONKEJFAMD-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000276763108 378991710 /nfs/dbraw/zinc/99/17/10/378991710.db2.gz GMTODOKXWBERCA-UHFFFAOYSA-N 2 2 291.345 3.134 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000276763108 378991718 /nfs/dbraw/zinc/99/17/18/378991718.db2.gz GMTODOKXWBERCA-UHFFFAOYSA-N 2 2 291.345 3.134 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347163748 218142323 /nfs/dbraw/zinc/14/23/23/218142323.db2.gz IZULWTIGLBMCCN-SFHVURJKSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347163748 218142326 /nfs/dbraw/zinc/14/23/26/218142326.db2.gz IZULWTIGLBMCCN-SFHVURJKSA-N 2 2 281.403 3.062 20 0 CGADLP c1c2ccccc2sc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347175452 218145271 /nfs/dbraw/zinc/14/52/71/218145271.db2.gz PNROGPSCZISUFB-AWEZNQCLSA-N 2 2 272.417 3.228 20 0 CGADLP c1c2ccccc2sc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347175452 218145273 /nfs/dbraw/zinc/14/52/73/218145273.db2.gz PNROGPSCZISUFB-AWEZNQCLSA-N 2 2 272.417 3.228 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000347180514 218147443 /nfs/dbraw/zinc/14/74/43/218147443.db2.gz USIMCHWWUGBIMK-HOCLYGCPSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000347180514 218147444 /nfs/dbraw/zinc/14/74/44/218147444.db2.gz USIMCHWWUGBIMK-HOCLYGCPSA-N 2 2 276.424 3.176 20 0 CGADLP CC1CCC(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000347126503 218131282 /nfs/dbraw/zinc/13/12/82/218131282.db2.gz KXLHPUKZNSLADD-DQPZFDDXSA-N 2 2 274.408 3.361 20 0 CGADLP CC1CCC(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000347126503 218131283 /nfs/dbraw/zinc/13/12/83/218131283.db2.gz KXLHPUKZNSLADD-DQPZFDDXSA-N 2 2 274.408 3.361 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000276976304 379035403 /nfs/dbraw/zinc/03/54/03/379035403.db2.gz RYWOLGOZPWPZLI-DTQAZKPQSA-N 2 2 269.392 3.309 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276976304 379035410 /nfs/dbraw/zinc/03/54/10/379035410.db2.gz RYWOLGOZPWPZLI-DTQAZKPQSA-N 2 2 269.392 3.309 20 0 CGADLP CC1(C)CCC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835758 379072966 /nfs/dbraw/zinc/07/29/66/379072966.db2.gz UKBKWPCTZMUGDM-AWEZNQCLSA-N 2 2 270.380 3.317 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCSCc1ccccc1 ZINC000348835295 379073523 /nfs/dbraw/zinc/07/35/23/379073523.db2.gz SYRVIEAJVVDKCX-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CCSCc1ccccc1 ZINC000348835295 379073530 /nfs/dbraw/zinc/07/35/30/379073530.db2.gz SYRVIEAJVVDKCX-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639175305 379093168 /nfs/dbraw/zinc/09/31/68/379093168.db2.gz MASGZOANUMRRAX-QZTJIDSGSA-N 2 2 283.419 3.399 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639175305 379093176 /nfs/dbraw/zinc/09/31/76/379093176.db2.gz MASGZOANUMRRAX-QZTJIDSGSA-N 2 2 283.419 3.399 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000277196615 379094118 /nfs/dbraw/zinc/09/41/18/379094118.db2.gz JCJDEXFQISAABT-KBPBESRZSA-N 2 2 279.453 3.003 20 0 CGADLP COC1(C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000277195823 379095045 /nfs/dbraw/zinc/09/50/45/379095045.db2.gz VHMADBYACKRUHS-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1nc2ccccc2o1 ZINC000639175769 379096492 /nfs/dbraw/zinc/09/64/92/379096492.db2.gz PVTSTSJPXCMPFL-UHFFFAOYSA-N 2 2 287.407 3.136 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1nc2ccccc2o1 ZINC000639175769 379096494 /nfs/dbraw/zinc/09/64/94/379096494.db2.gz PVTSTSJPXCMPFL-UHFFFAOYSA-N 2 2 287.407 3.136 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000639199465 379123485 /nfs/dbraw/zinc/12/34/85/379123485.db2.gz XEMQZBKDBXKCHF-CXAGYDPISA-N 2 2 298.434 3.384 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000639199465 379123497 /nfs/dbraw/zinc/12/34/97/379123497.db2.gz XEMQZBKDBXKCHF-CXAGYDPISA-N 2 2 298.434 3.384 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289999 379131545 /nfs/dbraw/zinc/13/15/45/379131545.db2.gz RGAHBQAAYAPHHU-YCPHGPKFSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289999 379131560 /nfs/dbraw/zinc/13/15/60/379131560.db2.gz RGAHBQAAYAPHHU-YCPHGPKFSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277342889 379135881 /nfs/dbraw/zinc/13/58/81/379135881.db2.gz WFJLZDRSTJIITC-QWHCGFSZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277342889 379135885 /nfs/dbraw/zinc/13/58/85/379135885.db2.gz WFJLZDRSTJIITC-QWHCGFSZSA-N 2 2 282.378 3.442 20 0 CGADLP CC1(C)C([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000349155801 379173947 /nfs/dbraw/zinc/17/39/47/379173947.db2.gz WLBLREDYYUALCS-UHFFFAOYSA-N 2 2 287.451 3.070 20 0 CGADLP CCc1ccccc1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373071270 379217179 /nfs/dbraw/zinc/21/71/79/379217179.db2.gz RKKMGTVUTDQIEM-UHFFFAOYSA-N 2 2 283.419 3.394 20 0 CGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CCSC3)CC2)c[nH+]1 ZINC000349347850 379243288 /nfs/dbraw/zinc/24/32/88/379243288.db2.gz MOURCOCJWFUWAZ-INIZCTEOSA-N 2 2 293.480 3.128 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349310521 379224372 /nfs/dbraw/zinc/22/43/72/379224372.db2.gz HJBUIZTXZIHXNX-IDCNUPLLSA-N 2 2 290.451 3.083 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000373488749 379286743 /nfs/dbraw/zinc/28/67/43/379286743.db2.gz HYIDNSFVAMDSBZ-CVEARBPZSA-N 2 2 287.451 3.072 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449152455 284773027 /nfs/dbraw/zinc/77/30/27/284773027.db2.gz FSZOPUWEDKNRBN-BFYDXBDKSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000349406555 379269170 /nfs/dbraw/zinc/26/91/70/379269170.db2.gz LWUMJATZQFYLBT-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000349406555 379269181 /nfs/dbraw/zinc/26/91/81/379269181.db2.gz LWUMJATZQFYLBT-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc2c1OC(C)(C)C2 ZINC000349410447 379269697 /nfs/dbraw/zinc/26/96/97/379269697.db2.gz UIUJEYVTRNINMM-UHFFFAOYSA-N 2 2 290.451 3.174 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2c1OC(C)(C)C2 ZINC000349410447 379269703 /nfs/dbraw/zinc/26/97/03/379269703.db2.gz UIUJEYVTRNINMM-UHFFFAOYSA-N 2 2 290.451 3.174 20 0 CGADLP CCc1ncc(C[NH+]2CCC(CC)([NH+](C)C)CC2)s1 ZINC000639378105 379337032 /nfs/dbraw/zinc/33/70/32/379337032.db2.gz AVFCGKRZPWQQMW-UHFFFAOYSA-N 2 2 281.469 3.012 20 0 CGADLP Cc1cccc(N2CCC(Oc3cc[nH+]cc3C)CC2)[nH+]1 ZINC000278425439 379385024 /nfs/dbraw/zinc/38/50/24/379385024.db2.gz IZCJNOMMHXZQTQ-UHFFFAOYSA-N 2 2 283.375 3.141 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639399307 379365252 /nfs/dbraw/zinc/36/52/52/379365252.db2.gz UIDOHQHGJKGERB-KYVUIXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639399307 379365257 /nfs/dbraw/zinc/36/52/57/379365257.db2.gz UIDOHQHGJKGERB-KYVUIXNKSA-N 2 2 292.373 3.004 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000349816785 379398752 /nfs/dbraw/zinc/39/87/52/379398752.db2.gz PTRLLNFFYVSCPD-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000349816785 379398759 /nfs/dbraw/zinc/39/87/59/379398759.db2.gz PTRLLNFFYVSCPD-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cc(C)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266794443 190281151 /nfs/dbraw/zinc/28/11/51/190281151.db2.gz XVZQAKSYDMJEDE-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000279843454 379531566 /nfs/dbraw/zinc/53/15/66/379531566.db2.gz ZYZPSMSVWJFAGL-CRAIPNDOSA-N 2 2 284.403 3.298 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000279812502 379523613 /nfs/dbraw/zinc/52/36/13/379523613.db2.gz FNNMSCCKGQYYJT-LPHOPBHVSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000279812502 379523619 /nfs/dbraw/zinc/52/36/19/379523619.db2.gz FNNMSCCKGQYYJT-LPHOPBHVSA-N 2 2 295.430 3.000 20 0 CGADLP CC1=Nc2ccccc2C12CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000639729226 379560688 /nfs/dbraw/zinc/56/06/88/379560688.db2.gz LDFMLQCPRHXIJU-UHFFFAOYSA-N 2 2 280.375 3.050 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](OC(C)C)C2)c(C)[nH+]1 ZINC000639720086 379560782 /nfs/dbraw/zinc/56/07/82/379560782.db2.gz USJDNURAZPBCDI-INIZCTEOSA-N 2 2 276.424 3.396 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000347673275 218317045 /nfs/dbraw/zinc/31/70/45/218317045.db2.gz HMKUJBHVHGRHSA-OLZOCXBDSA-N 2 2 277.799 3.318 20 0 CGADLP COc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1F ZINC000192956408 542270270 /nfs/dbraw/zinc/27/02/70/542270270.db2.gz WSUOZFUKIGJBDB-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1F ZINC000192956408 542270276 /nfs/dbraw/zinc/27/02/76/542270276.db2.gz WSUOZFUKIGJBDB-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1F ZINC000192956408 542270283 /nfs/dbraw/zinc/27/02/83/542270283.db2.gz WSUOZFUKIGJBDB-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1F ZINC000192956408 542270287 /nfs/dbraw/zinc/27/02/87/542270287.db2.gz WSUOZFUKIGJBDB-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000267214752 190312314 /nfs/dbraw/zinc/31/23/14/190312314.db2.gz MLFZLFZUQXPDQD-WMLDXEAASA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000267214752 190312315 /nfs/dbraw/zinc/31/23/15/190312315.db2.gz MLFZLFZUQXPDQD-WMLDXEAASA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280306367 379673187 /nfs/dbraw/zinc/67/31/87/379673187.db2.gz OMOSMHXUDAKQNL-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280306367 379673195 /nfs/dbraw/zinc/67/31/95/379673195.db2.gz OMOSMHXUDAKQNL-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cncc(C)c2)CC1 ZINC000639985641 379676873 /nfs/dbraw/zinc/67/68/73/379676873.db2.gz DAPJYNCMIYYTES-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000377688553 379722180 /nfs/dbraw/zinc/72/21/80/379722180.db2.gz CCULAHIBILVSFR-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000377688553 379722189 /nfs/dbraw/zinc/72/21/89/379722189.db2.gz CCULAHIBILVSFR-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Clc1c[nH+]ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000267257310 190315759 /nfs/dbraw/zinc/31/57/59/190315759.db2.gz JTZDETNWBCYWAD-UHFFFAOYSA-N 2 2 288.782 3.342 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377789678 379740751 /nfs/dbraw/zinc/74/07/51/379740751.db2.gz YRJAULPRKSEZNN-LBPRGKRZSA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377789678 379740755 /nfs/dbraw/zinc/74/07/55/379740755.db2.gz YRJAULPRKSEZNN-LBPRGKRZSA-N 2 2 295.308 3.076 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729281 379741721 /nfs/dbraw/zinc/74/17/21/379741721.db2.gz FOMPXKKMFAREBY-SWLSCSKDSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729281 379741727 /nfs/dbraw/zinc/74/17/27/379741727.db2.gz FOMPXKKMFAREBY-SWLSCSKDSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729281 379741731 /nfs/dbraw/zinc/74/17/31/379741731.db2.gz FOMPXKKMFAREBY-SWLSCSKDSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729281 379741738 /nfs/dbraw/zinc/74/17/38/379741738.db2.gz FOMPXKKMFAREBY-SWLSCSKDSA-N 2 2 298.352 3.231 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798471 379744126 /nfs/dbraw/zinc/74/41/26/379744126.db2.gz IPBFXXLCJCGZHJ-TZMCWYRMSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798471 379744133 /nfs/dbraw/zinc/74/41/33/379744133.db2.gz IPBFXXLCJCGZHJ-TZMCWYRMSA-N 2 2 285.391 3.017 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)c(C)c1)CCC2 ZINC000377830265 379748795 /nfs/dbraw/zinc/74/87/95/379748795.db2.gz CDYWTXNRHOTAHQ-OAHLLOKOSA-N 2 2 287.382 3.306 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000347739777 218341367 /nfs/dbraw/zinc/34/13/67/218341367.db2.gz TWUASMDWKZMWDP-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000347739777 218341369 /nfs/dbraw/zinc/34/13/69/218341369.db2.gz TWUASMDWKZMWDP-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@@H+]1C1CC1 ZINC000280658743 379757901 /nfs/dbraw/zinc/75/79/01/379757901.db2.gz OXFBXZYCZNCSFB-ODVANORSSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C[N@H+]1C1CC1 ZINC000280658743 379757905 /nfs/dbraw/zinc/75/79/05/379757905.db2.gz OXFBXZYCZNCSFB-ODVANORSSA-N 2 2 288.410 3.287 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267374268 190324981 /nfs/dbraw/zinc/32/49/81/190324981.db2.gz LBZCQLMXQOCKGL-HNNXBMFYSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267374268 190324982 /nfs/dbraw/zinc/32/49/82/190324982.db2.gz LBZCQLMXQOCKGL-HNNXBMFYSA-N 2 2 284.407 3.278 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]cc1Cl ZINC000267435935 190330752 /nfs/dbraw/zinc/33/07/52/190330752.db2.gz XULZONNNLLHQQZ-UHFFFAOYSA-N 2 2 264.760 3.132 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000347798797 218361637 /nfs/dbraw/zinc/36/16/37/218361637.db2.gz PEXXRHXFGJTYJO-CQSZACIVSA-N 2 2 292.423 3.033 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000389253068 379896993 /nfs/dbraw/zinc/89/69/93/379896993.db2.gz BUGLQKDZSJQNLI-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000389253068 379896998 /nfs/dbraw/zinc/89/69/98/379896998.db2.gz BUGLQKDZSJQNLI-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000390597420 379907066 /nfs/dbraw/zinc/90/70/66/379907066.db2.gz XKZSDLLBERZIQQ-SFHVURJKSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000390597420 379907072 /nfs/dbraw/zinc/90/70/72/379907072.db2.gz XKZSDLLBERZIQQ-SFHVURJKSA-N 2 2 284.447 3.429 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2cccs2)s1 ZINC000352753319 379941094 /nfs/dbraw/zinc/94/10/94/379941094.db2.gz DMDVKXSCWNCJBJ-UHFFFAOYSA-N 2 2 295.477 3.291 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282826696 379997470 /nfs/dbraw/zinc/99/74/70/379997470.db2.gz UYSVGBJZUXZSIK-GDBMZVCRSA-N 2 2 289.398 3.385 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352853516 380005998 /nfs/dbraw/zinc/00/59/98/380005998.db2.gz NFAOMEKVOJFQIK-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000347928285 218403417 /nfs/dbraw/zinc/40/34/17/218403417.db2.gz VMOAMVFJCNZLCG-KRWDZBQOSA-N 2 2 297.446 3.437 20 0 CGADLP FC(F)(F)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000353031130 380082946 /nfs/dbraw/zinc/08/29/46/380082946.db2.gz BFUOEGCJMXLKHA-UHFFFAOYSA-N 2 2 295.308 3.304 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000641780111 380094362 /nfs/dbraw/zinc/09/43/62/380094362.db2.gz WEVQJARUWFPMTG-QGZVFWFLSA-N 2 2 269.392 3.094 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000641797116 380108760 /nfs/dbraw/zinc/10/87/60/380108760.db2.gz UXDISAMYQXQRKS-BBRMVZONSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000641797116 380108767 /nfs/dbraw/zinc/10/87/67/380108767.db2.gz UXDISAMYQXQRKS-BBRMVZONSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353935198 380244616 /nfs/dbraw/zinc/24/46/16/380244616.db2.gz ZIBUAXHRFQDGLG-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000353935198 380244623 /nfs/dbraw/zinc/24/46/23/380244623.db2.gz ZIBUAXHRFQDGLG-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000353946083 380249600 /nfs/dbraw/zinc/24/96/00/380249600.db2.gz DXVQVDSKUKSFEE-CXAGYDPISA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000353946083 380249606 /nfs/dbraw/zinc/24/96/06/380249606.db2.gz DXVQVDSKUKSFEE-CXAGYDPISA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000353946084 380249948 /nfs/dbraw/zinc/24/99/48/380249948.db2.gz DXVQVDSKUKSFEE-DYVFJYSZSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000353946084 380249955 /nfs/dbraw/zinc/24/99/55/380249955.db2.gz DXVQVDSKUKSFEE-DYVFJYSZSA-N 2 2 290.476 3.122 20 0 CGADLP CC(C)(C)c1ccncc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000414496091 380271699 /nfs/dbraw/zinc/27/16/99/380271699.db2.gz IAIRUDXZRLJBPU-UHFFFAOYSA-N 2 2 294.402 3.317 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000414481603 380258815 /nfs/dbraw/zinc/25/88/15/380258815.db2.gz FGEJJXSPKNLQNR-RBUKOAKNSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000414481603 380258823 /nfs/dbraw/zinc/25/88/23/380258823.db2.gz FGEJJXSPKNLQNR-RBUKOAKNSA-N 2 2 296.414 3.131 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCC)c1cccnc1 ZINC000353987751 380267333 /nfs/dbraw/zinc/26/73/33/380267333.db2.gz RPCYUUHWVHXDBM-IAGOWNOFSA-N 2 2 275.440 3.387 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCC)c1cccnc1 ZINC000353987751 380267336 /nfs/dbraw/zinc/26/73/36/380267336.db2.gz RPCYUUHWVHXDBM-IAGOWNOFSA-N 2 2 275.440 3.387 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501926 380324212 /nfs/dbraw/zinc/32/42/12/380324212.db2.gz STDGPQHNOATVFN-ZFWWWQNUSA-N 2 2 294.826 3.285 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2c(s1)CCC2 ZINC000643502136 380324483 /nfs/dbraw/zinc/32/44/83/380324483.db2.gz YBFRGYXECZHFDA-DGCLKSJQSA-N 2 2 264.438 3.030 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1F ZINC000643501951 380325115 /nfs/dbraw/zinc/32/51/15/380325115.db2.gz USSJHUFDLNRKSN-DOMZBBRYSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000643506259 380328527 /nfs/dbraw/zinc/32/85/27/380328527.db2.gz PWEZWXKNZBELDX-ZDUSSCGKSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000643506391 380328630 /nfs/dbraw/zinc/32/86/30/380328630.db2.gz UWDNKVLSYOZTIQ-SNVBAGLBSA-N 2 2 258.818 3.194 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000354108291 380329144 /nfs/dbraw/zinc/32/91/44/380329144.db2.gz UPVVDQWAWDOLCX-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000354108291 380329152 /nfs/dbraw/zinc/32/91/52/380329152.db2.gz UPVVDQWAWDOLCX-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000354108291 380329158 /nfs/dbraw/zinc/32/91/58/380329158.db2.gz UPVVDQWAWDOLCX-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000354108291 380329164 /nfs/dbraw/zinc/32/91/64/380329164.db2.gz UPVVDQWAWDOLCX-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414586106 380329744 /nfs/dbraw/zinc/32/97/44/380329744.db2.gz OKPPZTVYVOKBQC-HUUCEWRRSA-N 2 2 256.349 3.061 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000643511434 380334466 /nfs/dbraw/zinc/33/44/66/380334466.db2.gz NIOXRQZIVFWRBZ-GWCFXTLKSA-N 2 2 267.442 3.010 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000643548018 380363760 /nfs/dbraw/zinc/36/37/60/380363760.db2.gz LTXMZYGLOUZUGB-ZWNOBZJWSA-N 2 2 279.453 3.085 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225698 380370173 /nfs/dbraw/zinc/37/01/73/380370173.db2.gz SXGFCPCRZUXQEI-UONOGXRCSA-N 2 2 287.407 3.132 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225698 380370177 /nfs/dbraw/zinc/37/01/77/380370177.db2.gz SXGFCPCRZUXQEI-UONOGXRCSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225698 380370181 /nfs/dbraw/zinc/37/01/81/380370181.db2.gz SXGFCPCRZUXQEI-UONOGXRCSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225698 380370189 /nfs/dbraw/zinc/37/01/89/380370189.db2.gz SXGFCPCRZUXQEI-UONOGXRCSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000414686914 380372965 /nfs/dbraw/zinc/37/29/65/380372965.db2.gz BUGHMYTXTIXPRC-CQSZACIVSA-N 2 2 264.388 3.003 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000414686914 380372972 /nfs/dbraw/zinc/37/29/72/380372972.db2.gz BUGHMYTXTIXPRC-CQSZACIVSA-N 2 2 264.388 3.003 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414694575 380378674 /nfs/dbraw/zinc/37/86/74/380378674.db2.gz OEUHBTGPHLGZLL-HNNXBMFYSA-N 2 2 276.424 3.220 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414694575 380378683 /nfs/dbraw/zinc/37/86/83/380378683.db2.gz OEUHBTGPHLGZLL-HNNXBMFYSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414702047 380379865 /nfs/dbraw/zinc/37/98/65/380379865.db2.gz LKYFVIDKKATKAB-HIFRSBDPSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414702047 380379871 /nfs/dbraw/zinc/37/98/71/380379871.db2.gz LKYFVIDKKATKAB-HIFRSBDPSA-N 2 2 278.415 3.392 20 0 CGADLP CC1CCC(OC2CC[NH+](CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000414748063 380391183 /nfs/dbraw/zinc/39/11/83/380391183.db2.gz VWLMUOWZRYPCBY-UHFFFAOYSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000414765457 380394247 /nfs/dbraw/zinc/39/42/47/380394247.db2.gz GBKPLHAJTWLBFV-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000414765457 380394251 /nfs/dbraw/zinc/39/42/51/380394251.db2.gz GBKPLHAJTWLBFV-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000643525237 380340755 /nfs/dbraw/zinc/34/07/55/380340755.db2.gz LEMRSKQKDSHJGK-RBZYPMLTSA-N 2 2 270.779 3.270 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000414657129 380355006 /nfs/dbraw/zinc/35/50/06/380355006.db2.gz JROZMEVDQJVQNF-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000414657129 380355014 /nfs/dbraw/zinc/35/50/14/380355014.db2.gz JROZMEVDQJVQNF-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538524 380355828 /nfs/dbraw/zinc/35/58/28/380355828.db2.gz MICYGYJBDOMWSP-CLROSIBMSA-N 2 2 276.399 3.161 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538724 380356028 /nfs/dbraw/zinc/35/60/28/380356028.db2.gz SVHJZQQCDZITGY-XEZPLFJOSA-N 2 2 276.399 3.089 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000643538065 380356052 /nfs/dbraw/zinc/35/60/52/380356052.db2.gz XSJVYIISTRFXCX-BVGQSLNGSA-N 2 2 299.393 3.099 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414812672 380423760 /nfs/dbraw/zinc/42/37/60/380423760.db2.gz LGOPVGOOFFPZQJ-NSHDSACASA-N 2 2 290.329 3.034 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1F ZINC000414818154 380429552 /nfs/dbraw/zinc/42/95/52/380429552.db2.gz UWNNTTQJFUIEOK-NSHDSACASA-N 2 2 258.768 3.086 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000414857310 380457349 /nfs/dbraw/zinc/45/73/49/380457349.db2.gz CPGQLECFFHBRSF-UHFFFAOYSA-N 2 2 295.496 3.483 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000414832678 380440119 /nfs/dbraw/zinc/44/01/19/380440119.db2.gz OOQOTCNHLPWONA-INIZCTEOSA-N 2 2 290.794 3.138 20 0 CGADLP [NH3+][C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000414838928 380445614 /nfs/dbraw/zinc/44/56/14/380445614.db2.gz VXNRARCHSKLYMY-JXQTWKCFSA-N 2 2 286.341 3.397 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000354461291 380447596 /nfs/dbraw/zinc/44/75/96/380447596.db2.gz IIZQWZVJEIONNJ-ZACQAIPSSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C)c[nH+]1 ZINC000354346482 380407972 /nfs/dbraw/zinc/40/79/72/380407972.db2.gz HWBZWZNZBOCWGU-AWEZNQCLSA-N 2 2 292.423 3.033 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415072035 380507452 /nfs/dbraw/zinc/50/74/52/380507452.db2.gz VECAEHNBBJPEFJ-GFCCVEGCSA-N 2 2 290.304 3.076 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000354496349 380460837 /nfs/dbraw/zinc/46/08/37/380460837.db2.gz HMYIOHBGHXNWQE-IRXDYDNUSA-N 2 2 288.435 3.260 20 0 CGADLP CCCc1csc(C[NH2+]CC2([NH3+])CCCCCC2)n1 ZINC000414862963 380463313 /nfs/dbraw/zinc/46/33/13/380463313.db2.gz WLUQQZAKGJUEHM-UHFFFAOYSA-N 2 2 281.469 3.237 20 0 CGADLP C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000354686848 380527798 /nfs/dbraw/zinc/52/77/98/380527798.db2.gz QXMYUTZDTDQZBC-HOTGVXAUSA-N 2 2 293.455 3.361 20 0 CGADLP C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000354686848 380527803 /nfs/dbraw/zinc/52/78/03/380527803.db2.gz QXMYUTZDTDQZBC-HOTGVXAUSA-N 2 2 293.455 3.361 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000644900572 380542759 /nfs/dbraw/zinc/54/27/59/380542759.db2.gz YSCIZFKZFHFMNT-INIZCTEOSA-N 2 2 270.380 3.196 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000644900572 380542766 /nfs/dbraw/zinc/54/27/66/380542766.db2.gz YSCIZFKZFHFMNT-INIZCTEOSA-N 2 2 270.380 3.196 20 0 CGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000354834968 380558387 /nfs/dbraw/zinc/55/83/87/380558387.db2.gz WLWRAWOMJNRAAM-QWHCGFSZSA-N 2 2 273.355 3.030 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000355301294 380632654 /nfs/dbraw/zinc/63/26/54/380632654.db2.gz BJAJUUDDNLDPEW-JKIFEVAISA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314106 380591732 /nfs/dbraw/zinc/59/17/32/380591732.db2.gz QPOHWBYOQMHBSQ-MYZSUADSSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314106 380591738 /nfs/dbraw/zinc/59/17/38/380591738.db2.gz QPOHWBYOQMHBSQ-MYZSUADSSA-N 2 2 278.465 3.312 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000417353042 380603054 /nfs/dbraw/zinc/60/30/54/380603054.db2.gz HVEQAZZJXYJELD-HOTGVXAUSA-N 2 2 258.409 3.007 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353436 380605323 /nfs/dbraw/zinc/60/53/23/380605323.db2.gz IXZCOMHAHLFHHH-MRXNPFEDSA-N 2 2 260.425 3.082 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000645406926 380673814 /nfs/dbraw/zinc/67/38/14/380673814.db2.gz CTHYCRREGHKQGT-CVEARBPZSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000645406926 380673818 /nfs/dbraw/zinc/67/38/18/380673818.db2.gz CTHYCRREGHKQGT-CVEARBPZSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000645406927 380674192 /nfs/dbraw/zinc/67/41/92/380674192.db2.gz CTHYCRREGHKQGT-HOTGVXAUSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000645406927 380674199 /nfs/dbraw/zinc/67/41/99/380674199.db2.gz CTHYCRREGHKQGT-HOTGVXAUSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000355760695 380769368 /nfs/dbraw/zinc/76/93/68/380769368.db2.gz XTDAIMZMEVUDAI-RBSFLKMASA-N 2 2 282.472 3.185 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000355760695 380769377 /nfs/dbraw/zinc/76/93/77/380769377.db2.gz XTDAIMZMEVUDAI-RBSFLKMASA-N 2 2 282.472 3.185 20 0 CGADLP Cc1cc(N(C)CC[NH+](C(C)C)C(C)C)nc(C2CC2)[nH+]1 ZINC000355570940 380714211 /nfs/dbraw/zinc/71/42/11/380714211.db2.gz IZSILHSRKVBKPL-UHFFFAOYSA-N 2 2 290.455 3.217 20 0 CGADLP C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000646010710 380799163 /nfs/dbraw/zinc/79/91/63/380799163.db2.gz CMJTUEVJFJQUDG-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000646010710 380799170 /nfs/dbraw/zinc/79/91/70/380799170.db2.gz CMJTUEVJFJQUDG-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP Cc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)cc1 ZINC000646130864 380846933 /nfs/dbraw/zinc/84/69/33/380846933.db2.gz OGFUCRLXIFRLOI-UHFFFAOYSA-N 2 2 269.392 3.251 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@@H+]1C1CC1 ZINC000421338233 380879026 /nfs/dbraw/zinc/87/90/26/380879026.db2.gz BWNJNIDWKNZPAR-SUMWQHHRSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@H+]1C1CC1 ZINC000421338233 380879033 /nfs/dbraw/zinc/87/90/33/380879033.db2.gz BWNJNIDWKNZPAR-SUMWQHHRSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000420376166 380852000 /nfs/dbraw/zinc/85/20/00/380852000.db2.gz UUNQTBSFZCLTKI-OXJKWZBOSA-N 2 2 266.816 3.377 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000356865895 380908480 /nfs/dbraw/zinc/90/84/80/380908480.db2.gz DOMISUHTGZZZTQ-AWEZNQCLSA-N 2 2 275.440 3.167 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000356872940 380913773 /nfs/dbraw/zinc/91/37/73/380913773.db2.gz JRYHBDPKZWGEIM-UHFFFAOYSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000356973595 380963740 /nfs/dbraw/zinc/96/37/40/380963740.db2.gz CQKYREYTFGOJTO-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000356973595 380963746 /nfs/dbraw/zinc/96/37/46/380963746.db2.gz CQKYREYTFGOJTO-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000358111018 381292032 /nfs/dbraw/zinc/29/20/32/381292032.db2.gz NPNDDMUZEZLVDL-XLQHLMKVSA-N 2 2 270.420 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000358111018 381292039 /nfs/dbraw/zinc/29/20/39/381292039.db2.gz NPNDDMUZEZLVDL-XLQHLMKVSA-N 2 2 270.420 3.307 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358303318 381302098 /nfs/dbraw/zinc/30/20/98/381302098.db2.gz QOWKRYCVFGSBHA-SUMWQHHRSA-N 2 2 270.420 3.235 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000358303318 381302101 /nfs/dbraw/zinc/30/21/01/381302101.db2.gz QOWKRYCVFGSBHA-SUMWQHHRSA-N 2 2 270.420 3.235 20 0 CGADLP COC1(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000359747125 381366181 /nfs/dbraw/zinc/36/61/81/381366181.db2.gz NTDVYRDQXLNOID-HNNXBMFYSA-N 2 2 291.439 3.008 20 0 CGADLP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458970 381549981 /nfs/dbraw/zinc/54/99/81/381549981.db2.gz ITUOJDLESMQFAF-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458970 381549983 /nfs/dbraw/zinc/54/99/83/381549983.db2.gz ITUOJDLESMQFAF-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1ccc(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c[nH+]1 ZINC000334848784 207181370 /nfs/dbraw/zinc/18/13/70/207181370.db2.gz KJAHTEPNDDISAT-DOTOQJQBSA-N 2 2 267.376 3.295 20 0 CGADLP CCCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000361125497 381651537 /nfs/dbraw/zinc/65/15/37/381651537.db2.gz JPZMZLPTJWYART-WBAXXEDZSA-N 2 2 290.451 3.466 20 0 CGADLP CCCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000361125497 381651547 /nfs/dbraw/zinc/65/15/47/381651547.db2.gz JPZMZLPTJWYART-WBAXXEDZSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cncs1 ZINC000361493723 381772230 /nfs/dbraw/zinc/77/22/30/381772230.db2.gz UTSBCFFFJIEDAO-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCS2 ZINC000236260833 542315348 /nfs/dbraw/zinc/31/53/48/542315348.db2.gz JCKJGMSOUYWLGE-OCCSQVGLSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000235224120 542310784 /nfs/dbraw/zinc/31/07/84/542310784.db2.gz ZAQXJBCBPMFHDQ-NEPJUHHUSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235205445 542311316 /nfs/dbraw/zinc/31/13/16/542311316.db2.gz BCHNJWWDSAUTKF-BXUZGUMPSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237507402 542317451 /nfs/dbraw/zinc/31/74/51/542317451.db2.gz BUVZKQIVPLXNJN-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237507402 542317455 /nfs/dbraw/zinc/31/74/55/542317455.db2.gz BUVZKQIVPLXNJN-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368105159 382364278 /nfs/dbraw/zinc/36/42/78/382364278.db2.gz OQQZJEYWKNJGOV-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368105159 382364285 /nfs/dbraw/zinc/36/42/85/382364285.db2.gz OQQZJEYWKNJGOV-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000251710684 542347479 /nfs/dbraw/zinc/34/74/79/542347479.db2.gz JMUGBYFWLLWUOG-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000251710684 542347485 /nfs/dbraw/zinc/34/74/85/542347485.db2.gz JMUGBYFWLLWUOG-SMDDNHRTSA-N 2 2 270.779 3.038 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250736143 542344243 /nfs/dbraw/zinc/34/42/43/542344243.db2.gz BSFXKZRYYLJLJQ-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250736143 542344246 /nfs/dbraw/zinc/34/42/46/542344246.db2.gz BSFXKZRYYLJLJQ-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250893770 542344582 /nfs/dbraw/zinc/34/45/82/542344582.db2.gz NRQOJXJIHBUYLW-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250893770 542344586 /nfs/dbraw/zinc/34/45/86/542344586.db2.gz NRQOJXJIHBUYLW-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423448952 532993210 /nfs/dbraw/zinc/99/32/10/532993210.db2.gz QXZADXBBUSIYLD-VGMNWLOBSA-N 2 2 261.196 3.380 20 0 CGADLP CC(C)Cn1cc[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000280901688 195021437 /nfs/dbraw/zinc/02/14/37/195021437.db2.gz DWTNLBKPTBQAHG-UHFFFAOYSA-N 2 2 295.390 3.337 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000335257506 208040118 /nfs/dbraw/zinc/04/01/18/208040118.db2.gz RKZXGYUWVLUUDU-GHMZBOCLSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000335257506 208040123 /nfs/dbraw/zinc/04/01/23/208040123.db2.gz RKZXGYUWVLUUDU-GHMZBOCLSA-N 2 2 296.827 3.076 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC34CCC4)cc2)c[nH+]1 ZINC000335276879 208084554 /nfs/dbraw/zinc/08/45/54/208084554.db2.gz HHFFKALGMMYOKU-UHFFFAOYSA-N 2 2 253.349 3.001 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC34CCC4)cc2)c[nH+]1 ZINC000335276879 208084557 /nfs/dbraw/zinc/08/45/57/208084557.db2.gz HHFFKALGMMYOKU-UHFFFAOYSA-N 2 2 253.349 3.001 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000289240172 197272792 /nfs/dbraw/zinc/27/27/92/197272792.db2.gz LAMUKKCJNKDLMG-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1ncc(C[N@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000289093117 197233147 /nfs/dbraw/zinc/23/31/47/197233147.db2.gz LLOQRHNGBFWTIS-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1ncc(C[N@@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000289093117 197233149 /nfs/dbraw/zinc/23/31/49/197233149.db2.gz LLOQRHNGBFWTIS-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)ccc1SC ZINC000423561058 533121199 /nfs/dbraw/zinc/12/11/99/533121199.db2.gz POPDETOYSTYOLX-TZMCWYRMSA-N 2 2 294.464 3.210 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423241210 533175872 /nfs/dbraw/zinc/17/58/72/533175872.db2.gz LDBQBQNTYLDIPC-ZRGWGRIASA-N 2 2 298.430 3.477 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000359076141 285261364 /nfs/dbraw/zinc/26/13/64/285261364.db2.gz AKGMSTFBSRTUEC-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000359076141 285261367 /nfs/dbraw/zinc/26/13/67/285261367.db2.gz AKGMSTFBSRTUEC-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000281307365 195190610 /nfs/dbraw/zinc/19/06/10/195190610.db2.gz RQQXRNGEJIOAGP-GVDBMIGSSA-N 2 2 298.434 3.291 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348275125 542517348 /nfs/dbraw/zinc/51/73/48/542517348.db2.gz CAOJLIQUJCFJKN-BZSNNMDCSA-N 2 2 288.435 3.076 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@H]2C ZINC000359633185 533264263 /nfs/dbraw/zinc/26/42/63/533264263.db2.gz JFLZZRUXEIMTJY-KGLIPLIRSA-N 2 2 299.418 3.208 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCn1cc[nH+]c1C)[C@H]2C ZINC000359633185 533264269 /nfs/dbraw/zinc/26/42/69/533264269.db2.gz JFLZZRUXEIMTJY-KGLIPLIRSA-N 2 2 299.418 3.208 20 0 CGADLP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423477875 533388346 /nfs/dbraw/zinc/38/83/46/533388346.db2.gz KQKBEWANNHJGPW-NVXWUHKLSA-N 3 2 298.434 3.055 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423233295 533412319 /nfs/dbraw/zinc/41/23/19/533412319.db2.gz DKMKJSMYLPXTJT-BXUZGUMPSA-N 2 2 275.783 3.086 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423241325 533412389 /nfs/dbraw/zinc/41/23/89/533412389.db2.gz LIMSRNOTJJKUDQ-MEBBXXQBSA-N 2 2 294.320 3.455 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423357519 533522123 /nfs/dbraw/zinc/52/21/23/533522123.db2.gz MFSARDJXZZVOOK-YNEHKIRRSA-N 2 2 289.448 3.130 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1F ZINC000367368730 533467152 /nfs/dbraw/zinc/46/71/52/533467152.db2.gz WKKCHHOGLKESJS-LLVKDONJSA-N 2 2 291.345 3.348 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000423500021 533528746 /nfs/dbraw/zinc/52/87/46/533528746.db2.gz CNWREBXZQVTNGI-FHLIZLRMSA-N 2 2 266.388 3.093 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)F ZINC000424381344 533519803 /nfs/dbraw/zinc/51/98/03/533519803.db2.gz YPPQFVVTPXYLGW-RAIGVLPGSA-N 2 2 284.350 3.209 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100929 533655468 /nfs/dbraw/zinc/65/54/68/533655468.db2.gz JDVQQJLGLAGOND-WFASDCNBSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100929 533655472 /nfs/dbraw/zinc/65/54/72/533655472.db2.gz JDVQQJLGLAGOND-WFASDCNBSA-N 2 2 287.382 3.017 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000422807305 291983261 /nfs/dbraw/zinc/98/32/61/291983261.db2.gz MCPZKJBWEDIHPZ-JTNHKYCSSA-N 2 2 252.427 3.156 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000381186353 542597463 /nfs/dbraw/zinc/59/74/63/542597463.db2.gz HUEBPWRWPSYJQJ-NVXWUHKLSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000381186353 542597465 /nfs/dbraw/zinc/59/74/65/542597465.db2.gz HUEBPWRWPSYJQJ-NVXWUHKLSA-N 2 2 260.425 3.082 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996457 391978277 /nfs/dbraw/zinc/97/82/77/391978277.db2.gz NVQLGXPKROHVPR-HUUCEWRRSA-N 2 2 298.352 3.422 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996457 391978279 /nfs/dbraw/zinc/97/82/79/391978279.db2.gz NVQLGXPKROHVPR-HUUCEWRRSA-N 2 2 298.352 3.422 20 0 CGADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000054110274 392088335 /nfs/dbraw/zinc/08/83/35/392088335.db2.gz UEEPUOVDEYFPPG-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000054110274 392088339 /nfs/dbraw/zinc/08/83/39/392088339.db2.gz UEEPUOVDEYFPPG-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)CCC2 ZINC000361747360 392310438 /nfs/dbraw/zinc/31/04/38/392310438.db2.gz ZPXLDJBWLLXAAJ-LUYZLQTOSA-N 2 2 275.440 3.483 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H]1CCCO1 ZINC000361712693 392301357 /nfs/dbraw/zinc/30/13/57/392301357.db2.gz SROKFAUGXBUAQI-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H]1CCCO1 ZINC000361712693 392301363 /nfs/dbraw/zinc/30/13/63/392301363.db2.gz SROKFAUGXBUAQI-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361737067 392307484 /nfs/dbraw/zinc/30/74/84/392307484.db2.gz WBQZKPBUXHQPQU-SECBINFHSA-N 2 2 289.326 3.364 20 0 CGADLP CSC[C@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000361802286 392325120 /nfs/dbraw/zinc/32/51/20/392325120.db2.gz YULKHMIQCZQDCS-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CSC[C@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000361802286 392325127 /nfs/dbraw/zinc/32/51/27/392325127.db2.gz YULKHMIQCZQDCS-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C)cc1 ZINC000368001681 392484814 /nfs/dbraw/zinc/48/48/14/392484814.db2.gz ZJAGQQOAQQDPSU-LSDHHAIUSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C)cc1 ZINC000368001681 392484819 /nfs/dbraw/zinc/48/48/19/392484819.db2.gz ZJAGQQOAQQDPSU-LSDHHAIUSA-N 2 2 269.392 3.316 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103168 392486649 /nfs/dbraw/zinc/48/66/49/392486649.db2.gz SUYHZGOIIDLZQF-ZIAGYGMSSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103168 392486657 /nfs/dbraw/zinc/48/66/57/392486657.db2.gz SUYHZGOIIDLZQF-ZIAGYGMSSA-N 2 2 261.413 3.071 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000151890037 392487835 /nfs/dbraw/zinc/48/78/35/392487835.db2.gz VPUZHYCTNFMNTJ-WMZOPIPTSA-N 2 2 289.467 3.462 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000151890037 392487843 /nfs/dbraw/zinc/48/78/43/392487843.db2.gz VPUZHYCTNFMNTJ-WMZOPIPTSA-N 2 2 289.467 3.462 20 0 CGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccco3)CC2)C1 ZINC000152036537 392493184 /nfs/dbraw/zinc/49/31/84/392493184.db2.gz WVRSDXYDEPTOCF-GOEBONIOSA-N 2 2 276.424 3.412 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000327586695 392672769 /nfs/dbraw/zinc/67/27/69/392672769.db2.gz GGIIMMQLCTZHJT-HZPDHXFCSA-N 2 2 278.465 3.165 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000647290322 392640701 /nfs/dbraw/zinc/64/07/01/392640701.db2.gz BYYKKSAAVFLOFZ-NVXWUHKLSA-N 2 2 275.440 3.100 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000647290322 392640706 /nfs/dbraw/zinc/64/07/06/392640706.db2.gz BYYKKSAAVFLOFZ-NVXWUHKLSA-N 2 2 275.440 3.100 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)CCC2 ZINC000373071506 392657284 /nfs/dbraw/zinc/65/72/84/392657284.db2.gz SVZWOYMQBRZCQL-QEJZJMRPSA-N 2 2 275.440 3.483 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554088 392767352 /nfs/dbraw/zinc/76/73/52/392767352.db2.gz QOTAVVHGEZVACE-QDLOVBKTSA-N 2 2 274.383 3.103 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507508614 392734886 /nfs/dbraw/zinc/73/48/86/392734886.db2.gz JUYPSELQYYLFML-GFCCVEGCSA-N 2 2 280.378 3.427 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000181738703 392735458 /nfs/dbraw/zinc/73/54/58/392735458.db2.gz JQXSZBSHFXRXTE-GOEBONIOSA-N 2 2 271.408 3.435 20 0 CGADLP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000647488781 392739433 /nfs/dbraw/zinc/73/94/33/392739433.db2.gz SOMXYABJJGMNRO-ZIAGYGMSSA-N 2 2 291.464 3.127 20 0 CGADLP c1nc(C2CC2)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000647488781 392739441 /nfs/dbraw/zinc/73/94/41/392739441.db2.gz SOMXYABJJGMNRO-ZIAGYGMSSA-N 2 2 291.464 3.127 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000647540335 392758177 /nfs/dbraw/zinc/75/81/77/392758177.db2.gz KTBCLVPCFJFZAH-XSLAGTTESA-N 2 2 290.426 3.129 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000647540335 392758183 /nfs/dbraw/zinc/75/81/83/392758183.db2.gz KTBCLVPCFJFZAH-XSLAGTTESA-N 2 2 290.426 3.129 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549272 392762052 /nfs/dbraw/zinc/76/20/52/392762052.db2.gz QCGZXNSGIUMGDF-KOZAUXTDSA-N 2 2 296.842 3.004 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647552833 392765565 /nfs/dbraw/zinc/76/55/65/392765565.db2.gz ZQVBZLKKIMLCJF-GFCCVEGCSA-N 2 2 266.816 3.292 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cccc(O)c3)cn21 ZINC000647363596 392708111 /nfs/dbraw/zinc/70/81/11/392708111.db2.gz DSZNIHWIALNCBO-AWEZNQCLSA-N 2 2 295.386 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Cl ZINC000334184964 392708792 /nfs/dbraw/zinc/70/87/92/392708792.db2.gz DLDXYBZDYDDFAV-WDEREUQCSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000334184964 392708802 /nfs/dbraw/zinc/70/88/02/392708802.db2.gz DLDXYBZDYDDFAV-WDEREUQCSA-N 2 2 275.783 3.271 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c1 ZINC000510484032 392800979 /nfs/dbraw/zinc/80/09/79/392800979.db2.gz CRWNDQAWCGRVCO-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510679885 392809015 /nfs/dbraw/zinc/80/90/15/392809015.db2.gz HISWEFMHJQAILX-IXDOHACOSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510679885 392809023 /nfs/dbraw/zinc/80/90/23/392809023.db2.gz HISWEFMHJQAILX-IXDOHACOSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(C)ccn1)CCC2 ZINC000375839589 392830016 /nfs/dbraw/zinc/83/00/16/392830016.db2.gz NFMDGSWPTWUNDB-HUUCEWRRSA-N 2 2 284.407 3.123 20 0 CGADLP Cc1c(Br)cccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647924225 392834110 /nfs/dbraw/zinc/83/41/10/392834110.db2.gz PRNUVGJHXSVRRT-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)CC(F)F)c[nH+]1 ZINC000648052440 392885205 /nfs/dbraw/zinc/88/52/05/392885205.db2.gz LUXJJLVDBNJIFU-LLVKDONJSA-N 2 2 256.340 3.204 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000648052770 392887123 /nfs/dbraw/zinc/88/71/23/392887123.db2.gz IAVJOIIEWIDGSP-SFHVURJKSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000648052770 392887128 /nfs/dbraw/zinc/88/71/28/392887128.db2.gz IAVJOIIEWIDGSP-SFHVURJKSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000337347569 392880995 /nfs/dbraw/zinc/88/09/95/392880995.db2.gz XRCRNLOCPOUXBD-LMSBXDPUSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C[N@H+]1C1CC1 ZINC000337347569 392881003 /nfs/dbraw/zinc/88/10/03/392881003.db2.gz XRCRNLOCPOUXBD-LMSBXDPUSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793777 392928919 /nfs/dbraw/zinc/92/89/19/392928919.db2.gz NYEXOAJRTLTSLD-MLGOLLRUSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793777 392928924 /nfs/dbraw/zinc/92/89/24/392928924.db2.gz NYEXOAJRTLTSLD-MLGOLLRUSA-N 2 2 262.441 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513756373 542732912 /nfs/dbraw/zinc/73/29/12/542732912.db2.gz XHTYNGPCWGORPQ-FGTMMUONSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513756373 542732915 /nfs/dbraw/zinc/73/29/15/542732915.db2.gz XHTYNGPCWGORPQ-FGTMMUONSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000573650228 542762834 /nfs/dbraw/zinc/76/28/34/542762834.db2.gz BNAZDSAUKQDWCP-HNNXBMFYSA-N 2 2 285.435 3.401 20 0 CGADLP Cc1ccc(C)c(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000545858510 393010881 /nfs/dbraw/zinc/01/08/81/393010881.db2.gz AGBJMNNQJGFKIP-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1ccc(C)c(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000545858510 393010890 /nfs/dbraw/zinc/01/08/90/393010890.db2.gz AGBJMNNQJGFKIP-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415033813 393104649 /nfs/dbraw/zinc/10/46/49/393104649.db2.gz HGVJUTYIKISJFB-AWEZNQCLSA-N 2 2 264.438 3.029 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414950706 393058017 /nfs/dbraw/zinc/05/80/17/393058017.db2.gz FVGJQAXQHLVJSS-SFHVURJKSA-N 2 2 298.455 3.385 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414955609 393063538 /nfs/dbraw/zinc/06/35/38/393063538.db2.gz MFQKCDNTPSKYRB-OAHLLOKOSA-N 2 2 298.430 3.450 20 0 CGADLP CC1CCC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414956724 393064667 /nfs/dbraw/zinc/06/46/67/393064667.db2.gz OYASHGQVEKTBIE-PUJMQQBBSA-N 2 2 258.409 3.042 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000414959562 393066573 /nfs/dbraw/zinc/06/65/73/393066573.db2.gz SNQCNXXRPLKFAX-QUCCMNQESA-N 2 2 292.426 3.021 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414988607 393080114 /nfs/dbraw/zinc/08/01/14/393080114.db2.gz LEVHJKSWMRYPAW-LSDHHAIUSA-N 2 2 284.394 3.388 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000415052025 393114600 /nfs/dbraw/zinc/11/46/00/393114600.db2.gz GRBSFOKMNQDEQR-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CCCC1 ZINC000415064581 393124624 /nfs/dbraw/zinc/12/46/24/393124624.db2.gz LBXHFYULEOXJIN-HNNXBMFYSA-N 2 2 258.365 3.040 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000415068447 393126206 /nfs/dbraw/zinc/12/62/06/393126206.db2.gz QXTYVKYZQBEPAT-IBGZPJMESA-N 2 2 280.415 3.006 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000415068933 393126638 /nfs/dbraw/zinc/12/66/38/393126638.db2.gz RVTJNMLIYDKXGL-GFCCVEGCSA-N 2 2 281.469 3.048 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000415073132 393130292 /nfs/dbraw/zinc/13/02/92/393130292.db2.gz ZDOJFTPZPDUQQO-SFHVURJKSA-N 2 2 298.430 3.356 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000469794474 393216997 /nfs/dbraw/zinc/21/69/97/393216997.db2.gz RFTDGXQBPVYHHX-CRAIPNDOSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647230385 393400563 /nfs/dbraw/zinc/40/05/63/393400563.db2.gz FXSIMNBELARWSZ-AAJLLMFJSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647230385 393400564 /nfs/dbraw/zinc/40/05/64/393400564.db2.gz FXSIMNBELARWSZ-AAJLLMFJSA-N 2 2 270.420 3.005 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+](C)C ZINC000474047663 393338815 /nfs/dbraw/zinc/33/88/15/393338815.db2.gz QKLWSWKPGVGFLT-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[NH+](C)C ZINC000474866712 393352720 /nfs/dbraw/zinc/35/27/20/393352720.db2.gz FJJBUHWZSHWAHO-NOOOWODRSA-N 2 2 286.872 3.433 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)on2)cc1 ZINC000420380706 393479833 /nfs/dbraw/zinc/47/98/33/393479833.db2.gz YPOHJLXVUDDPMM-PMUMKWKESA-N 2 2 299.418 3.126 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421616 393432519 /nfs/dbraw/zinc/43/25/19/393432519.db2.gz NMLCVMOYPFVEOK-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421616 393432524 /nfs/dbraw/zinc/43/25/24/393432524.db2.gz NMLCVMOYPFVEOK-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])CNc1cccc(C)[nH+]1 ZINC000420278114 393448389 /nfs/dbraw/zinc/44/83/89/393448389.db2.gz NTSUPPDSOFWRJT-OAHLLOKOSA-N 2 2 255.365 3.064 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000420285566 393450115 /nfs/dbraw/zinc/45/01/15/393450115.db2.gz FEYFCQROTSAEBR-GFCCVEGCSA-N 2 2 290.238 3.194 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000420285566 393450116 /nfs/dbraw/zinc/45/01/16/393450116.db2.gz FEYFCQROTSAEBR-GFCCVEGCSA-N 2 2 290.238 3.194 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356510528 393467180 /nfs/dbraw/zinc/46/71/80/393467180.db2.gz WGWYMYCFVVXNRE-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356510528 393467185 /nfs/dbraw/zinc/46/71/85/393467185.db2.gz WGWYMYCFVVXNRE-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420359703 393472565 /nfs/dbraw/zinc/47/25/65/393472565.db2.gz KDJJWWZXGKVBNK-CYBMUJFWSA-N 2 2 293.436 3.175 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420362405 393474808 /nfs/dbraw/zinc/47/48/08/393474808.db2.gz NFBSFKNHGIBSSQ-INIZCTEOSA-N 2 2 299.418 3.128 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)on2)cc1 ZINC000420367003 393477009 /nfs/dbraw/zinc/47/70/09/393477009.db2.gz RUNGEWWTEUABQT-INIZCTEOSA-N 2 2 287.407 3.113 20 0 CGADLP CCCc1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420409553 393484432 /nfs/dbraw/zinc/48/44/32/393484432.db2.gz XHPXEQIWJLFOGU-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420409553 393484437 /nfs/dbraw/zinc/48/44/37/393484437.db2.gz XHPXEQIWJLFOGU-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP CCCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429721244 393497797 /nfs/dbraw/zinc/49/77/97/393497797.db2.gz GQPDXQBOUWDJMP-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429721244 393497801 /nfs/dbraw/zinc/49/78/01/393497801.db2.gz GQPDXQBOUWDJMP-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429721244 393497804 /nfs/dbraw/zinc/49/78/04/393497804.db2.gz GQPDXQBOUWDJMP-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429721244 393497809 /nfs/dbraw/zinc/49/78/09/393497809.db2.gz GQPDXQBOUWDJMP-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405926 393499959 /nfs/dbraw/zinc/49/99/59/393499959.db2.gz JZSDYGQNMITRLD-LVQVYYBASA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405926 393499964 /nfs/dbraw/zinc/49/99/64/393499964.db2.gz JZSDYGQNMITRLD-LVQVYYBASA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@H](C(C)C)C1)[NH+](C)C ZINC000488443178 393514893 /nfs/dbraw/zinc/51/48/93/393514893.db2.gz BETPCYYTLJUJCE-KFWWJZLASA-N 2 2 272.502 3.082 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCCCCC1 ZINC000488460760 393523711 /nfs/dbraw/zinc/52/37/11/393523711.db2.gz PFIQFHVQNCQGGN-PMPSAXMXSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000359090471 393536329 /nfs/dbraw/zinc/53/63/29/393536329.db2.gz UPKWWVSGZLCEAC-GDBMZVCRSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000359090471 393536333 /nfs/dbraw/zinc/53/63/33/393536333.db2.gz UPKWWVSGZLCEAC-GDBMZVCRSA-N 2 2 250.430 3.053 20 0 CGADLP COC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCC1 ZINC000359963064 393558019 /nfs/dbraw/zinc/55/80/19/393558019.db2.gz IDVDOUGMLHAEFQ-UHFFFAOYSA-N 2 2 287.407 3.044 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000430557715 393575159 /nfs/dbraw/zinc/57/51/59/393575159.db2.gz OKIFWBQYNBUEBE-ZDUSSCGKSA-N 2 2 273.207 3.210 20 0 CGADLP Fc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000666768177 542814884 /nfs/dbraw/zinc/81/48/84/542814884.db2.gz AMVMNMRXUQUFMN-ZDUSSCGKSA-N 2 2 290.304 3.076 20 0 CGADLP C[C@H](CNc1[nH+]cccc1OCc1ccccc1)C[NH+](C)C ZINC000488993839 393570744 /nfs/dbraw/zinc/57/07/44/393570744.db2.gz PAOOWWPFEATUBC-OAHLLOKOSA-N 2 2 299.418 3.270 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1C1CC1)c1ccccc1 ZINC000666785912 542815253 /nfs/dbraw/zinc/81/52/53/542815253.db2.gz YYWHYVSZULFHGN-SFHVURJKSA-N 2 2 266.388 3.354 20 0 CGADLP c1sc(C[NH2+][C@H]2CCC[NH2+]CC2)nc1-c1ccccc1 ZINC000666855477 542821172 /nfs/dbraw/zinc/82/11/72/542821172.db2.gz UUYPWTIGOSYWJR-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000360839412 393595420 /nfs/dbraw/zinc/59/54/20/393595420.db2.gz HNWRFKZKLZLHSZ-RYUDHWBXSA-N 2 2 288.357 3.176 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880647 393645564 /nfs/dbraw/zinc/64/55/64/393645564.db2.gz XJAXWBXQZRCUQA-KNXALSJPSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000423175197 393652883 /nfs/dbraw/zinc/65/28/83/393652883.db2.gz DIVGOKUOQSKBHK-NSHDSACASA-N 2 2 275.421 3.036 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1F ZINC000423341585 393662159 /nfs/dbraw/zinc/66/21/59/393662159.db2.gz YKUSFMUWTORGCM-NOZJJQNGSA-N 2 2 258.768 3.113 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000423367760 393663698 /nfs/dbraw/zinc/66/36/98/393663698.db2.gz AOXSTDMZKHYVIG-PBHICJAKSA-N 2 2 260.425 3.424 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)CCS2 ZINC000423369096 393664003 /nfs/dbraw/zinc/66/40/03/393664003.db2.gz SIAYCWPYTANIOF-LYRGGWFBSA-N 2 2 290.476 3.428 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069651 393664211 /nfs/dbraw/zinc/66/42/11/393664211.db2.gz RQWPZMXWROWBGY-YJBOKZPZSA-N 2 2 288.435 3.363 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069651 393664213 /nfs/dbraw/zinc/66/42/13/393664213.db2.gz RQWPZMXWROWBGY-YJBOKZPZSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423393948 393665090 /nfs/dbraw/zinc/66/50/90/393665090.db2.gz MNCVZNDAFREZGO-CXAGYDPISA-N 2 2 256.393 3.474 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Cl ZINC000423384044 393665595 /nfs/dbraw/zinc/66/55/95/393665595.db2.gz PXYPYNXNAYNABC-SCVCMEIPSA-N 2 2 270.779 3.270 20 0 CGADLP CC(C)=CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361074888 393665993 /nfs/dbraw/zinc/66/59/93/393665993.db2.gz VZIJAPGROQVUCT-UHFFFAOYSA-N 2 2 261.413 3.342 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000492419452 393732405 /nfs/dbraw/zinc/73/24/05/393732405.db2.gz VKNYINCURFTDCD-USWWRNFRSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000492419452 393732410 /nfs/dbraw/zinc/73/24/10/393732410.db2.gz VKNYINCURFTDCD-USWWRNFRSA-N 2 2 284.856 3.319 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000666946447 542827281 /nfs/dbraw/zinc/82/72/81/542827281.db2.gz CRTQLTNWMHXARP-GMZLATJGSA-N 2 2 296.817 3.266 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000443093621 393743954 /nfs/dbraw/zinc/74/39/54/393743954.db2.gz NCDFOXKIHUQENS-KBPBESRZSA-N 2 2 275.421 3.390 20 0 CGADLP COCC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443208422 393749979 /nfs/dbraw/zinc/74/99/79/393749979.db2.gz BHWYVGZRYGDGPS-ZMSDIMECSA-N 2 2 278.440 3.001 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946599 542827670 /nfs/dbraw/zinc/82/76/70/542827670.db2.gz KIFPKHNUHKONMA-BBWFWOEESA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498189 393760061 /nfs/dbraw/zinc/76/00/61/393760061.db2.gz HMZXNBLJIJGGMB-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498189 393760064 /nfs/dbraw/zinc/76/00/64/393760064.db2.gz HMZXNBLJIJGGMB-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP FC(F)(F)CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000443601466 393765812 /nfs/dbraw/zinc/76/58/12/393765812.db2.gz FSQDMDOYPCYNPN-UHFFFAOYSA-N 2 2 275.318 3.322 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495182417 393777957 /nfs/dbraw/zinc/77/79/57/393777957.db2.gz HTLLMUIJXFFPFG-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495182417 393777960 /nfs/dbraw/zinc/77/79/60/393777960.db2.gz HTLLMUIJXFFPFG-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495182417 393777963 /nfs/dbraw/zinc/77/79/63/393777963.db2.gz HTLLMUIJXFFPFG-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495182417 393777966 /nfs/dbraw/zinc/77/79/66/393777966.db2.gz HTLLMUIJXFFPFG-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP Clc1ccc2cccnc2c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000666992513 542833033 /nfs/dbraw/zinc/83/30/33/542833033.db2.gz QMFYSFHPWVZWKZ-CYBMUJFWSA-N 2 2 289.810 3.120 20 0 CGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@@H]([NH+](C)C)CC1 ZINC000450489939 394004557 /nfs/dbraw/zinc/00/45/57/394004557.db2.gz RQLMHWCQZIYORG-CQSZACIVSA-N 2 2 299.418 3.164 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](CC3=CCCCC3)CC2)c1 ZINC000450498641 394005958 /nfs/dbraw/zinc/00/59/58/394005958.db2.gz GRWKSWARVGJUDT-UHFFFAOYSA-N 2 2 271.408 3.012 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000450699994 394033560 /nfs/dbraw/zinc/03/35/60/394033560.db2.gz ZDBHXJLCXWLCCQ-QZTJIDSGSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000450699994 394033561 /nfs/dbraw/zinc/03/35/61/394033561.db2.gz ZDBHXJLCXWLCCQ-QZTJIDSGSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000450699994 394033562 /nfs/dbraw/zinc/03/35/62/394033562.db2.gz ZDBHXJLCXWLCCQ-QZTJIDSGSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000450699994 394033565 /nfs/dbraw/zinc/03/35/65/394033565.db2.gz ZDBHXJLCXWLCCQ-QZTJIDSGSA-N 2 2 294.483 3.140 20 0 CGADLP c1ccc2c(c1)CCC([NH2+]CC[NH+]1CCCCC1)CC2 ZINC000453074136 394162538 /nfs/dbraw/zinc/16/25/38/394162538.db2.gz OGNOSJYGRNMARF-UHFFFAOYSA-N 2 2 272.436 3.010 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccncc1 ZINC000453180676 394198012 /nfs/dbraw/zinc/19/80/12/394198012.db2.gz PTZBEVPTLFJXGK-INIZCTEOSA-N 2 2 255.365 3.068 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)c1cccnc1 ZINC000453397929 394232789 /nfs/dbraw/zinc/23/27/89/394232789.db2.gz MCYRPYGEUQUQLS-INIZCTEOSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)c1cccnc1 ZINC000453397929 394232793 /nfs/dbraw/zinc/23/27/93/394232793.db2.gz MCYRPYGEUQUQLS-INIZCTEOSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415543 394240322 /nfs/dbraw/zinc/24/03/22/394240322.db2.gz ZAHSLKSUECTXSH-CJNGLKHVSA-N 2 2 262.441 3.195 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415543 394240324 /nfs/dbraw/zinc/24/03/24/394240324.db2.gz ZAHSLKSUECTXSH-CJNGLKHVSA-N 2 2 262.441 3.195 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667493023 542876403 /nfs/dbraw/zinc/87/64/03/542876403.db2.gz FGRWOKGDCXIMTD-LLVKDONJSA-N 2 2 291.345 3.301 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000667493023 542876407 /nfs/dbraw/zinc/87/64/07/542876407.db2.gz FGRWOKGDCXIMTD-LLVKDONJSA-N 2 2 291.345 3.301 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)n1C ZINC000667497408 542877612 /nfs/dbraw/zinc/87/76/12/542877612.db2.gz AFXDFHPMQZKIMV-ZDUSSCGKSA-N 2 2 269.392 3.454 20 0 CGADLP Cc1[nH+]cc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)n1C ZINC000667497408 542877614 /nfs/dbraw/zinc/87/76/14/542877614.db2.gz AFXDFHPMQZKIMV-ZDUSSCGKSA-N 2 2 269.392 3.454 20 0 CGADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000453627234 394263055 /nfs/dbraw/zinc/26/30/55/394263055.db2.gz VJPYKJJZLAFNIZ-LBPRGKRZSA-N 2 2 268.832 3.373 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000667502576 542880923 /nfs/dbraw/zinc/88/09/23/542880923.db2.gz IHBLNLHRABOJLE-KRWDZBQOSA-N 2 2 295.430 3.427 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1CCc1ccccc1)CCC2 ZINC000667502576 542880925 /nfs/dbraw/zinc/88/09/25/542880925.db2.gz IHBLNLHRABOJLE-KRWDZBQOSA-N 2 2 295.430 3.427 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667530615 542884950 /nfs/dbraw/zinc/88/49/50/542884950.db2.gz DQPDHAOTJGZCHL-AWEZNQCLSA-N 2 2 275.421 3.299 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667530615 542884952 /nfs/dbraw/zinc/88/49/52/542884952.db2.gz DQPDHAOTJGZCHL-AWEZNQCLSA-N 2 2 275.421 3.299 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCc3ccccc31)CCCC2 ZINC000366943779 285582530 /nfs/dbraw/zinc/58/25/30/285582530.db2.gz MSYNWJSHWVJRLS-KRWDZBQOSA-N 2 2 281.403 3.387 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCC3(CCCCC3)C1)CCC2 ZINC000667630743 542900444 /nfs/dbraw/zinc/90/04/44/542900444.db2.gz NPJWMDUIQBFWOR-UHFFFAOYSA-N 2 2 273.424 3.376 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCC3(CCCCC3)C1)CCC2 ZINC000667630743 542900447 /nfs/dbraw/zinc/90/04/47/542900447.db2.gz NPJWMDUIQBFWOR-UHFFFAOYSA-N 2 2 273.424 3.376 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)n1C ZINC000667675785 542913501 /nfs/dbraw/zinc/91/35/01/542913501.db2.gz WKEDVMQCCKONBV-SJKOYZFVSA-N 2 2 287.382 3.451 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000423242182 285600308 /nfs/dbraw/zinc/60/03/08/285600308.db2.gz IUKSZQOQUMWEJN-INIZCTEOSA-N 2 2 276.424 3.223 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1C ZINC000668280699 543000742 /nfs/dbraw/zinc/00/07/42/543000742.db2.gz ATNPTEJRRQNLCW-QGZVFWFLSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)n1C ZINC000668280699 543000744 /nfs/dbraw/zinc/00/07/44/543000744.db2.gz ATNPTEJRRQNLCW-QGZVFWFLSA-N 2 2 287.382 3.031 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000340208222 292077859 /nfs/dbraw/zinc/07/78/59/292077859.db2.gz CMMYENAPKZMDOS-GOEBONIOSA-N 2 2 278.440 3.001 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928717 543133928 /nfs/dbraw/zinc/13/39/28/543133928.db2.gz LWHKMIUNQRGWET-HOTGVXAUSA-N 2 2 289.423 3.012 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928717 543133931 /nfs/dbraw/zinc/13/39/31/543133931.db2.gz LWHKMIUNQRGWET-HOTGVXAUSA-N 2 2 289.423 3.012 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671296224 543166838 /nfs/dbraw/zinc/16/68/38/543166838.db2.gz MZECUJLGYDGHBN-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671296224 543166840 /nfs/dbraw/zinc/16/68/40/543166840.db2.gz MZECUJLGYDGHBN-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP CCc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000672271368 543206724 /nfs/dbraw/zinc/20/67/24/543206724.db2.gz WREUDRGIZDQICA-CXAGYDPISA-N 2 2 284.407 3.142 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672604109 543218936 /nfs/dbraw/zinc/21/89/36/543218936.db2.gz QUCJOFZTFVWODU-OIISXLGYSA-N 2 2 283.419 3.482 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917845 397609906 /nfs/dbraw/zinc/60/99/06/397609906.db2.gz BFXFNQGXFZORDL-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917845 397609908 /nfs/dbraw/zinc/60/99/08/397609908.db2.gz BFXFNQGXFZORDL-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000352868278 397686572 /nfs/dbraw/zinc/68/65/72/397686572.db2.gz CSFFZDMCQVYDSP-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)C1CCCCC1 ZINC000393496204 397693900 /nfs/dbraw/zinc/69/39/00/397693900.db2.gz ZJAXTTVITBXRER-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674304090 543280748 /nfs/dbraw/zinc/28/07/48/543280748.db2.gz QATYYDGBEOLXPB-HOCLYGCPSA-N 2 2 285.391 3.290 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674304090 543280749 /nfs/dbraw/zinc/28/07/49/543280749.db2.gz QATYYDGBEOLXPB-HOCLYGCPSA-N 2 2 285.391 3.290 20 0 CGADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCc2ccc(F)cc21 ZINC000649894804 397746281 /nfs/dbraw/zinc/74/62/81/397746281.db2.gz VCWMBVHFGBHRPS-CQSZACIVSA-N 2 2 287.382 3.074 20 0 CGADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCc2ccc(F)cc21 ZINC000649894804 397746285 /nfs/dbraw/zinc/74/62/85/397746285.db2.gz VCWMBVHFGBHRPS-CQSZACIVSA-N 2 2 287.382 3.074 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC1 ZINC000650739977 397904302 /nfs/dbraw/zinc/90/43/02/397904302.db2.gz DCBCBAILUJQTRI-HOCLYGCPSA-N 2 2 258.409 3.104 20 0 CGADLP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c2ccsc21 ZINC000675151363 543317896 /nfs/dbraw/zinc/31/78/96/543317896.db2.gz QAWSOEDYAINVJE-GFCCVEGCSA-N 2 2 275.421 3.005 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000675766040 543361505 /nfs/dbraw/zinc/36/15/05/543361505.db2.gz GSFBXSPJXSTCSN-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000675766040 543361508 /nfs/dbraw/zinc/36/15/08/543361508.db2.gz GSFBXSPJXSTCSN-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000675766042 543362607 /nfs/dbraw/zinc/36/26/07/543362607.db2.gz GSFBXSPJXSTCSN-SQNIBIBYSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000675766042 543362609 /nfs/dbraw/zinc/36/26/09/543362609.db2.gz GSFBXSPJXSTCSN-SQNIBIBYSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675743057 543359938 /nfs/dbraw/zinc/35/99/38/543359938.db2.gz DEYOJEIAQOEMDE-SJORKVTESA-N 2 2 274.452 3.390 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675743630 543360127 /nfs/dbraw/zinc/36/01/27/543360127.db2.gz LOQAOILXVJMUAR-KBPBESRZSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917619 543373831 /nfs/dbraw/zinc/37/38/31/543373831.db2.gz DGKJIVUQZWISBR-HOCLYGCPSA-N 2 2 271.408 3.482 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)CC3CCC3)[nH+]c12 ZINC000675924978 543374179 /nfs/dbraw/zinc/37/41/79/543374179.db2.gz DASUJKUSXLWMLO-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000675924501 543374453 /nfs/dbraw/zinc/37/44/53/543374453.db2.gz KLPZPQXUZQUSLT-KBPBESRZSA-N 2 2 266.454 3.001 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000675924501 543374454 /nfs/dbraw/zinc/37/44/54/543374454.db2.gz KLPZPQXUZQUSLT-KBPBESRZSA-N 2 2 266.454 3.001 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000676414846 543396982 /nfs/dbraw/zinc/39/69/82/543396982.db2.gz KMXRFTLPDWDTSH-NSHDSACASA-N 2 2 272.845 3.221 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000676414846 543396985 /nfs/dbraw/zinc/39/69/85/543396985.db2.gz KMXRFTLPDWDTSH-NSHDSACASA-N 2 2 272.845 3.221 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000677129987 543435115 /nfs/dbraw/zinc/43/51/15/543435115.db2.gz QXJADBOFUOWKNP-BRWVUGGUSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000677129987 543435117 /nfs/dbraw/zinc/43/51/17/543435117.db2.gz QXJADBOFUOWKNP-BRWVUGGUSA-N 2 2 292.373 3.169 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000677153058 543437521 /nfs/dbraw/zinc/43/75/21/543437521.db2.gz UMRRENOKOQVQLT-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000677153058 543437523 /nfs/dbraw/zinc/43/75/23/543437523.db2.gz UMRRENOKOQVQLT-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000677846361 543468797 /nfs/dbraw/zinc/46/87/97/543468797.db2.gz QNWORUBOXZFLSS-RDJZCZTQSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000677846361 543468800 /nfs/dbraw/zinc/46/88/00/543468800.db2.gz QNWORUBOXZFLSS-RDJZCZTQSA-N 2 2 290.838 3.401 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422908983 286019886 /nfs/dbraw/zinc/01/98/86/286019886.db2.gz DZXMFMJQOVWRCX-KOZAUXTDSA-N 2 2 296.842 3.146 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)c[nH+]1 ZINC000678235390 543498747 /nfs/dbraw/zinc/49/87/47/543498747.db2.gz SBCKXQOWSCLQIB-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c[nH+]1 ZINC000678235390 543498750 /nfs/dbraw/zinc/49/87/50/543498750.db2.gz SBCKXQOWSCLQIB-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C2CC2)ccc1F ZINC000678682690 543549061 /nfs/dbraw/zinc/54/90/61/543549061.db2.gz FXSWSPUOGGJXGQ-WBVHZDCISA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C2CC2)ccc1F ZINC000678682690 543549063 /nfs/dbraw/zinc/54/90/63/543549063.db2.gz FXSWSPUOGGJXGQ-WBVHZDCISA-N 2 2 276.399 3.269 20 0 CGADLP Fc1c[nH+]ccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000678788279 543558805 /nfs/dbraw/zinc/55/88/05/543558805.db2.gz HJPKOSAZRYHOHQ-UHFFFAOYSA-N 2 2 299.393 3.241 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1(CC)CC ZINC000678928761 543573251 /nfs/dbraw/zinc/57/32/51/543573251.db2.gz UPYVCJZYRCSMAK-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1(CC)CC ZINC000678928761 543573254 /nfs/dbraw/zinc/57/32/54/543573254.db2.gz UPYVCJZYRCSMAK-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C)C1CC1 ZINC000678999384 543580485 /nfs/dbraw/zinc/58/04/85/543580485.db2.gz APDSCJBYPFXUCZ-QGZVFWFLSA-N 2 2 287.451 3.347 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C12CCCC2 ZINC000085679812 286288029 /nfs/dbraw/zinc/28/80/29/286288029.db2.gz IPXGUFJPCXCXTR-GVDBMIGSSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017927 543582931 /nfs/dbraw/zinc/58/29/31/543582931.db2.gz ZNUIXWXNCKLOEV-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017927 543582934 /nfs/dbraw/zinc/58/29/34/543582934.db2.gz ZNUIXWXNCKLOEV-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C1 ZINC000462747755 287060559 /nfs/dbraw/zinc/06/05/59/287060559.db2.gz FMYVHKMLPGXIFE-BZUAXINKSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C1 ZINC000462747755 287060561 /nfs/dbraw/zinc/06/05/61/287060561.db2.gz FMYVHKMLPGXIFE-BZUAXINKSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000085401442 287082023 /nfs/dbraw/zinc/08/20/23/287082023.db2.gz FMXZBKKZWHQUBI-CVEARBPZSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@H](CNc1[nH+]c2ccccc2n1C)C[NH+]1CCCCC1 ZINC000079044948 165142965 /nfs/dbraw/zinc/14/29/65/165142965.db2.gz ZDUXXQYOTLVZLH-CQSZACIVSA-N 2 2 286.423 3.107 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2)n1-c1ccccc1 ZINC000080519090 165156393 /nfs/dbraw/zinc/15/63/93/165156393.db2.gz UYGJQOBXGDFXNJ-UHFFFAOYSA-N 2 2 277.371 3.471 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000084946784 165176877 /nfs/dbraw/zinc/17/68/77/165176877.db2.gz ABRLYIMACMJGQW-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000084946784 165176878 /nfs/dbraw/zinc/17/68/78/165176878.db2.gz ABRLYIMACMJGQW-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)C12CCCCC2 ZINC000087300605 165187452 /nfs/dbraw/zinc/18/74/52/165187452.db2.gz GGTFDEBLZOLGRQ-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C12CCCCC2 ZINC000087300605 165187453 /nfs/dbraw/zinc/18/74/53/165187453.db2.gz GGTFDEBLZOLGRQ-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP COCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960241 165278887 /nfs/dbraw/zinc/27/88/87/165278887.db2.gz USCOFRMBZCSPMU-QAPCUYQASA-N 2 2 299.418 3.113 20 0 CGADLP COCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960241 165278890 /nfs/dbraw/zinc/27/88/90/165278890.db2.gz USCOFRMBZCSPMU-QAPCUYQASA-N 2 2 299.418 3.113 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1[NH3+] ZINC000094338940 165348796 /nfs/dbraw/zinc/34/87/96/165348796.db2.gz WQUKMFBDTAJSPC-CABZTGNLSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@@H]1[NH3+] ZINC000094338940 165348800 /nfs/dbraw/zinc/34/88/00/165348800.db2.gz WQUKMFBDTAJSPC-CABZTGNLSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000094827350 287122754 /nfs/dbraw/zinc/12/27/54/287122754.db2.gz LBBHKRNMOMREGD-GFCCVEGCSA-N 2 2 279.334 3.292 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000122293574 287208480 /nfs/dbraw/zinc/20/84/80/287208480.db2.gz VAVZJNDKUMBZFL-TZMCWYRMSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C[N@H+]1C1CC1 ZINC000122293574 287208482 /nfs/dbraw/zinc/20/84/82/287208482.db2.gz VAVZJNDKUMBZFL-TZMCWYRMSA-N 2 2 250.430 3.170 20 0 CGADLP CO[C@H](C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305747 196026026 /nfs/dbraw/zinc/02/60/26/196026026.db2.gz GXWFQXGVMWAXKT-CGTJXYLNSA-N 2 2 299.418 3.154 20 0 CGADLP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305747 196026028 /nfs/dbraw/zinc/02/60/28/196026028.db2.gz GXWFQXGVMWAXKT-CGTJXYLNSA-N 2 2 299.418 3.154 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562880034 289740374 /nfs/dbraw/zinc/74/03/74/289740374.db2.gz ITZCWANGUCQSPS-ZIAGYGMSSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020126801 171011076 /nfs/dbraw/zinc/01/10/76/171011076.db2.gz RDELHRMNKQNYBI-GFCCVEGCSA-N 2 2 297.240 3.196 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000020506232 171228488 /nfs/dbraw/zinc/22/84/88/171228488.db2.gz LTJLSAROPJVQDS-CZVCLPBNSA-N 2 2 287.451 3.468 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633998 196351532 /nfs/dbraw/zinc/35/15/32/196351532.db2.gz RJRXUHCAZQXINV-JKSUJKDBSA-N 2 2 296.842 3.101 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633998 196351534 /nfs/dbraw/zinc/35/15/34/196351534.db2.gz RJRXUHCAZQXINV-JKSUJKDBSA-N 2 2 296.842 3.101 20 0 CGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037295811 173100276 /nfs/dbraw/zinc/10/02/76/173100276.db2.gz WBBNPZYAKRPUQA-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037295811 173100278 /nfs/dbraw/zinc/10/02/78/173100278.db2.gz WBBNPZYAKRPUQA-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000040500572 174297011 /nfs/dbraw/zinc/29/70/11/174297011.db2.gz ZRMXFZJILFUQCQ-INIZCTEOSA-N 2 2 271.408 3.193 20 0 CGADLP C[N@H+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747062 174392922 /nfs/dbraw/zinc/39/29/22/174392922.db2.gz LVCVHTQYRCTWJT-FUNVUKJBSA-N 2 2 287.432 3.011 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747062 174392924 /nfs/dbraw/zinc/39/29/24/174392924.db2.gz LVCVHTQYRCTWJT-FUNVUKJBSA-N 2 2 287.432 3.011 20 0 CGADLP c1oc2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127710552 287294568 /nfs/dbraw/zinc/29/45/68/287294568.db2.gz XHNLARIMVFHWKF-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043325742 175007648 /nfs/dbraw/zinc/00/76/48/175007648.db2.gz YCFVQNWTSXVRSH-UONOGXRCSA-N 2 2 252.789 3.133 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000128260754 287307287 /nfs/dbraw/zinc/30/72/87/287307287.db2.gz CRRUHTGFXSNRAK-JKSUJKDBSA-N 2 2 290.451 3.263 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128621402 287314710 /nfs/dbraw/zinc/31/47/10/287314710.db2.gz ASOVYEWNSIEREN-ZNMIVQPWSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128621402 287314712 /nfs/dbraw/zinc/31/47/12/287314712.db2.gz ASOVYEWNSIEREN-ZNMIVQPWSA-N 2 2 288.435 3.279 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000049866629 416476835 /nfs/dbraw/zinc/47/68/35/416476835.db2.gz BABQEDVCILQPOY-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)c(Cl)c1 ZINC000310093734 416530241 /nfs/dbraw/zinc/53/02/41/416530241.db2.gz GSDUVARZGOVAJH-CQSZACIVSA-N 2 2 254.805 3.111 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC000311482758 416532505 /nfs/dbraw/zinc/53/25/05/416532505.db2.gz RQUCXUDINVREMV-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC000311482758 416532508 /nfs/dbraw/zinc/53/25/08/416532508.db2.gz RQUCXUDINVREMV-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000342734867 416541218 /nfs/dbraw/zinc/54/12/18/416541218.db2.gz OQNSFAZSXOVBBL-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000342734867 416541220 /nfs/dbraw/zinc/54/12/20/416541220.db2.gz OQNSFAZSXOVBBL-ZBFHGGJFSA-N 2 2 260.425 3.285 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000679365043 543629826 /nfs/dbraw/zinc/62/98/26/543629826.db2.gz XMXIRHICEZWKBS-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000679365043 543629828 /nfs/dbraw/zinc/62/98/28/543629828.db2.gz XMXIRHICEZWKBS-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000679365043 543629829 /nfs/dbraw/zinc/62/98/29/543629829.db2.gz XMXIRHICEZWKBS-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000679365043 543629831 /nfs/dbraw/zinc/62/98/31/543629831.db2.gz XMXIRHICEZWKBS-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP C[C@@H]([NH2+]CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000681474150 543789309 /nfs/dbraw/zinc/78/93/09/543789309.db2.gz JPEUFXGXXHQBIJ-OAHLLOKOSA-N 2 2 260.425 3.038 20 0 CGADLP c1cn(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000682068578 543818747 /nfs/dbraw/zinc/81/87/47/543818747.db2.gz CXJAXNBVUFFSIE-QGZVFWFLSA-N 2 2 267.376 3.208 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450755961 287362832 /nfs/dbraw/zinc/36/28/32/287362832.db2.gz BJKBSZJNHVSXCR-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450755961 287362836 /nfs/dbraw/zinc/36/28/36/287362836.db2.gz BJKBSZJNHVSXCR-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450755961 287362839 /nfs/dbraw/zinc/36/28/39/287362839.db2.gz BJKBSZJNHVSXCR-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450755961 287362842 /nfs/dbraw/zinc/36/28/42/287362842.db2.gz BJKBSZJNHVSXCR-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP COC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000131121131 287371367 /nfs/dbraw/zinc/37/13/67/287371367.db2.gz GLKWZXJFJOROCB-FUHWJXTLSA-N 2 2 290.451 3.084 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000682529653 543850738 /nfs/dbraw/zinc/85/07/38/543850738.db2.gz PYBDGJQAOMRUDW-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000682529653 543850741 /nfs/dbraw/zinc/85/07/41/543850741.db2.gz PYBDGJQAOMRUDW-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436018 543845866 /nfs/dbraw/zinc/84/58/66/543845866.db2.gz MBKJKRRPZSWWGF-YQQAZPJKSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436018 543845869 /nfs/dbraw/zinc/84/58/69/543845869.db2.gz MBKJKRRPZSWWGF-YQQAZPJKSA-N 2 2 290.451 3.053 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000683140578 543899025 /nfs/dbraw/zinc/89/90/25/543899025.db2.gz ANZAQYMWXVYWQN-INIZCTEOSA-N 2 2 264.388 3.304 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000683140578 543899026 /nfs/dbraw/zinc/89/90/26/543899026.db2.gz ANZAQYMWXVYWQN-INIZCTEOSA-N 2 2 264.388 3.304 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684113750 543968230 /nfs/dbraw/zinc/96/82/30/543968230.db2.gz MSNITDBYOXCZEY-UKRRQHHQSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684113750 543968231 /nfs/dbraw/zinc/96/82/31/543968231.db2.gz MSNITDBYOXCZEY-UKRRQHHQSA-N 2 2 280.481 3.389 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@H+](CC)C[C@H]2C)c[nH+]1 ZINC000132184308 287398897 /nfs/dbraw/zinc/39/88/97/287398897.db2.gz WSJMSEMOVFVJLN-GDBMZVCRSA-N 2 2 290.455 3.070 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@@H+](CC)C[C@H]2C)c[nH+]1 ZINC000132184308 287398899 /nfs/dbraw/zinc/39/88/99/287398899.db2.gz WSJMSEMOVFVJLN-GDBMZVCRSA-N 2 2 290.455 3.070 20 0 CGADLP C[N@H+](CC[NH2+]Cc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000683926242 543953841 /nfs/dbraw/zinc/95/38/41/543953841.db2.gz CTHGGWPBIZKFSJ-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[N@@H+](CC[NH2+]Cc1cc2ccccc2[nH]1)Cc1ccccc1 ZINC000683926242 543953845 /nfs/dbraw/zinc/95/38/45/543953845.db2.gz CTHGGWPBIZKFSJ-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc3c(n2)CCCC3)c[nH+]1 ZINC000684409303 543995205 /nfs/dbraw/zinc/99/52/05/543995205.db2.gz WZDRVNDXDWZZDB-UHFFFAOYSA-N 2 2 295.430 3.386 20 0 CGADLP Clc1ccc(/C=C\C[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000685850315 544102922 /nfs/dbraw/zinc/10/29/22/544102922.db2.gz JUXBMKKVMDSXBB-UPHRSURJSA-N 2 2 273.767 3.066 20 0 CGADLP Clc1ccc(/C=C\C[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000685850315 544102925 /nfs/dbraw/zinc/10/29/25/544102925.db2.gz JUXBMKKVMDSXBB-UPHRSURJSA-N 2 2 273.767 3.066 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870458 419022953 /nfs/dbraw/zinc/02/29/53/419022953.db2.gz BPHWKMHTMIQZMH-UONOGXRCSA-N 2 2 274.399 3.228 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870458 419022956 /nfs/dbraw/zinc/02/29/56/419022956.db2.gz BPHWKMHTMIQZMH-UONOGXRCSA-N 2 2 274.399 3.228 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882328 419028318 /nfs/dbraw/zinc/02/83/18/419028318.db2.gz GYADEABGIIKRKB-DLBZAZTESA-N 2 2 291.439 3.115 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882328 419028319 /nfs/dbraw/zinc/02/83/19/419028319.db2.gz GYADEABGIIKRKB-DLBZAZTESA-N 2 2 291.439 3.115 20 0 CGADLP CC(C)(CC[NH+]1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000653566066 419049388 /nfs/dbraw/zinc/04/93/88/419049388.db2.gz JKLGMDUPIMFZIT-UHFFFAOYSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cscn1 ZINC000665240349 419088692 /nfs/dbraw/zinc/08/86/92/419088692.db2.gz IRHSXSOGQAKUCA-UPJWGTAASA-N 2 2 267.442 3.105 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762907 419090861 /nfs/dbraw/zinc/09/08/61/419090861.db2.gz ZTGWQVKQGVVMEC-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249228 419092537 /nfs/dbraw/zinc/09/25/37/419092537.db2.gz LTOKRKFXHJFYFE-NSHDSACASA-N 2 2 282.815 3.271 20 0 CGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000665250466 419092582 /nfs/dbraw/zinc/09/25/82/419092582.db2.gz RWDKLFOJOILFAR-VAMGGRTRSA-N 2 2 292.426 3.409 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1Br ZINC000665250105 419092645 /nfs/dbraw/zinc/09/26/45/419092645.db2.gz IFFZNPKFVRBIJG-NSHDSACASA-N 2 2 297.240 3.371 20 0 CGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC000665258684 419094689 /nfs/dbraw/zinc/09/46/89/419094689.db2.gz IXAAAXUZYPCJDE-ULQDDVLXSA-N 2 2 288.410 3.194 20 0 CGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000665258685 419095861 /nfs/dbraw/zinc/09/58/61/419095861.db2.gz IXAAAXUZYPCJDE-YESZJQIVSA-N 2 2 288.410 3.194 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276763 419099425 /nfs/dbraw/zinc/09/94/25/419099425.db2.gz MASQBIWUHDOBQX-SFYCDEOASA-N 2 2 270.376 3.144 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)[C@@H]1CCCCO1 ZINC000655857260 419124749 /nfs/dbraw/zinc/12/47/49/419124749.db2.gz UMBMYZYKMUFEHI-HOTGVXAUSA-N 2 2 287.407 3.080 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cs1 ZINC000665281608 419102466 /nfs/dbraw/zinc/10/24/66/419102466.db2.gz HTPAUTSUHBIVDR-VXGBXAGGSA-N 2 2 269.458 3.291 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294131 419106762 /nfs/dbraw/zinc/10/67/62/419106762.db2.gz IUNUHVVKFKMAJY-BXUZGUMPSA-N 2 2 254.805 3.379 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1OC ZINC000665294191 419107467 /nfs/dbraw/zinc/10/74/67/419107467.db2.gz JXPNWZHNVQLNTJ-KGLIPLIRSA-N 2 2 294.439 3.133 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848410 419118529 /nfs/dbraw/zinc/11/85/29/419118529.db2.gz FCTHZAZGEFDOGA-LUKYLMHMSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848410 419118532 /nfs/dbraw/zinc/11/85/32/419118532.db2.gz FCTHZAZGEFDOGA-LUKYLMHMSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000655849176 419121088 /nfs/dbraw/zinc/12/10/88/419121088.db2.gz PUYXUPXAYYLMAC-BHYGNILZSA-N 2 2 290.455 3.132 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000655849176 419121091 /nfs/dbraw/zinc/12/10/91/419121091.db2.gz PUYXUPXAYYLMAC-BHYGNILZSA-N 2 2 290.455 3.132 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655855309 419122452 /nfs/dbraw/zinc/12/24/52/419122452.db2.gz DFSBSOKVQOWYMW-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655855309 419122455 /nfs/dbraw/zinc/12/24/55/419122455.db2.gz DFSBSOKVQOWYMW-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000660011425 419062382 /nfs/dbraw/zinc/06/23/82/419062382.db2.gz VQTPSHCCBBNZAR-AWEZNQCLSA-N 2 2 297.393 3.193 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CS1 ZINC000655696231 419067584 /nfs/dbraw/zinc/06/75/84/419067584.db2.gz DNHGSDRAUREOKR-HYVNUMGLSA-N 2 2 292.492 3.033 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661087 419178670 /nfs/dbraw/zinc/17/86/70/419178670.db2.gz BPXXZGZXYVNDDF-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661087 419178672 /nfs/dbraw/zinc/17/86/72/419178672.db2.gz BPXXZGZXYVNDDF-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661087 419178674 /nfs/dbraw/zinc/17/86/74/419178674.db2.gz BPXXZGZXYVNDDF-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661087 419178678 /nfs/dbraw/zinc/17/86/78/419178678.db2.gz BPXXZGZXYVNDDF-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000660762674 419192134 /nfs/dbraw/zinc/19/21/34/419192134.db2.gz BYXTVDBZQAESNG-HNNXBMFYSA-N 2 2 260.425 3.036 20 0 CGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657292763 419243704 /nfs/dbraw/zinc/24/37/04/419243704.db2.gz RWOHCWOJPGHGIJ-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000657334169 419252982 /nfs/dbraw/zinc/25/29/82/419252982.db2.gz OKLNKUZIEPNJDX-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP Fc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)cc1 ZINC000657341865 419255559 /nfs/dbraw/zinc/25/55/59/419255559.db2.gz ABMSGRKWLKUALD-UHFFFAOYSA-N 2 2 285.366 3.137 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000666227314 419200661 /nfs/dbraw/zinc/20/06/61/419200661.db2.gz FCKWQWBAPPOXFG-SJXGUFTOSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000666227314 419200665 /nfs/dbraw/zinc/20/06/65/419200665.db2.gz FCKWQWBAPPOXFG-SJXGUFTOSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898174 419208118 /nfs/dbraw/zinc/20/81/18/419208118.db2.gz XEUNRGRVJJRBSE-QAETUUGQSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000660898174 419208120 /nfs/dbraw/zinc/20/81/20/419208120.db2.gz XEUNRGRVJJRBSE-QAETUUGQSA-N 2 2 264.457 3.229 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000656788429 419219003 /nfs/dbraw/zinc/21/90/03/419219003.db2.gz OZSGMXVOEGOMBI-UHFFFAOYSA-N 2 2 290.304 3.206 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514163 419268742 /nfs/dbraw/zinc/26/87/42/419268742.db2.gz QWGWURSLBSVEIQ-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514163 419268744 /nfs/dbraw/zinc/26/87/44/419268744.db2.gz QWGWURSLBSVEIQ-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514163 419268746 /nfs/dbraw/zinc/26/87/46/419268746.db2.gz QWGWURSLBSVEIQ-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514163 419268748 /nfs/dbraw/zinc/26/87/48/419268748.db2.gz QWGWURSLBSVEIQ-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(C)c1 ZINC000657285636 419241974 /nfs/dbraw/zinc/24/19/74/419241974.db2.gz GFWOYUNNBBFJJD-UHFFFAOYSA-N 2 2 287.407 3.160 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@H](Cc3ccccc3)C1)CCC2 ZINC000657443172 419280843 /nfs/dbraw/zinc/28/08/43/419280843.db2.gz ZTQFFJGUKFYIRM-SJORKVTESA-N 2 2 295.430 3.330 20 0 CGADLP Cc1[nH+]cc(CNc2ccc(Cl)c(C[NH+](C)C)c2)n1C ZINC000657454612 419282531 /nfs/dbraw/zinc/28/25/31/419282531.db2.gz BWHMZHDYVVOKRO-UHFFFAOYSA-N 2 2 292.814 3.056 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657458948 419284430 /nfs/dbraw/zinc/28/44/30/419284430.db2.gz RXYWFHHSRNPJRK-LBPRGKRZSA-N 2 2 287.432 3.402 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000657525572 419297931 /nfs/dbraw/zinc/29/79/31/419297931.db2.gz STCPQCFWQDRQON-BJIFSAINSA-N 2 2 258.409 3.162 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000657525572 419297933 /nfs/dbraw/zinc/29/79/33/419297933.db2.gz STCPQCFWQDRQON-BJIFSAINSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccn1 ZINC000657536071 419301296 /nfs/dbraw/zinc/30/12/96/419301296.db2.gz SQUWOEARQZLZSQ-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564376 419305858 /nfs/dbraw/zinc/30/58/58/419305858.db2.gz UPWQXJIEMLQADS-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564376 419305860 /nfs/dbraw/zinc/30/58/60/419305860.db2.gz UPWQXJIEMLQADS-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP CCn1c[nH+]cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000417958842 228011741 /nfs/dbraw/zinc/01/17/41/228011741.db2.gz VTCFCJKKRQZGDS-UHFFFAOYSA-N 2 2 298.434 3.153 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(F)F ZINC000657665923 419323262 /nfs/dbraw/zinc/32/32/62/419323262.db2.gz PWQVXLQRCQKGFD-LBPRGKRZSA-N 2 2 283.347 3.069 20 0 CGADLP CCC(CC)CCC[N@H+](C)CCc1c[nH+]cn1C ZINC000662040110 419326721 /nfs/dbraw/zinc/32/67/21/419326721.db2.gz ZZMKVWAHPIWNMK-UHFFFAOYSA-N 2 2 251.418 3.111 20 0 CGADLP CCC(CC)CCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000662040110 419326724 /nfs/dbraw/zinc/32/67/24/419326724.db2.gz ZZMKVWAHPIWNMK-UHFFFAOYSA-N 2 2 251.418 3.111 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000657742109 419335531 /nfs/dbraw/zinc/33/55/31/419335531.db2.gz NAIPPAJOWZTYFE-OKACTXMXSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000657742109 419335534 /nfs/dbraw/zinc/33/55/34/419335534.db2.gz NAIPPAJOWZTYFE-OKACTXMXSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000657742534 419335997 /nfs/dbraw/zinc/33/59/97/419335997.db2.gz SICZOQPORYJZTE-NHZBNJEXSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000657742534 419335999 /nfs/dbraw/zinc/33/59/99/419335999.db2.gz SICZOQPORYJZTE-NHZBNJEXSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000657783816 419348496 /nfs/dbraw/zinc/34/84/96/419348496.db2.gz WWAVZSWXFCDZNG-WMZOPIPTSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000657783816 419348501 /nfs/dbraw/zinc/34/85/01/419348501.db2.gz WWAVZSWXFCDZNG-WMZOPIPTSA-N 2 2 298.430 3.465 20 0 CGADLP CC1(C)C[C@@]1([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000662342466 419397248 /nfs/dbraw/zinc/39/72/48/419397248.db2.gz FHTXUKNUDKVENJ-QGZVFWFLSA-N 2 2 269.392 3.188 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000657879165 419400469 /nfs/dbraw/zinc/40/04/69/419400469.db2.gz KUKUHMKPFBYZHR-HOTGVXAUSA-N 2 2 290.451 3.054 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657879165 419400473 /nfs/dbraw/zinc/40/04/73/419400473.db2.gz KUKUHMKPFBYZHR-HOTGVXAUSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)C(F)F ZINC000657835767 419378363 /nfs/dbraw/zinc/37/83/63/419378363.db2.gz YKOODSGNFPXNRD-NSHDSACASA-N 2 2 281.350 3.146 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657837111 419380724 /nfs/dbraw/zinc/38/07/24/419380724.db2.gz PMBVMQZQXLNAPN-RYRKJORJSA-N 2 2 299.462 3.465 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662274703 419382744 /nfs/dbraw/zinc/38/27/44/419382744.db2.gz KRYZSAOAKSPFEI-RDBSUJKOSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662274703 419382749 /nfs/dbraw/zinc/38/27/49/419382749.db2.gz KRYZSAOAKSPFEI-RDBSUJKOSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657928892 419445359 /nfs/dbraw/zinc/44/53/59/419445359.db2.gz HIQCFDAWQXUKKM-NSHDSACASA-N 2 2 256.340 3.202 20 0 CGADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000662544161 419453182 /nfs/dbraw/zinc/45/31/82/419453182.db2.gz YWUPZOQRZMNXPU-OAHLLOKOSA-N 2 2 299.374 3.119 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)o1 ZINC000658054285 419525408 /nfs/dbraw/zinc/52/54/08/419525408.db2.gz CVKFPAFDPRHGNE-JSGCOSHPSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)o1 ZINC000658054285 419525414 /nfs/dbraw/zinc/52/54/14/419525414.db2.gz CVKFPAFDPRHGNE-JSGCOSHPSA-N 2 2 264.413 3.420 20 0 CGADLP Clc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345025 419567872 /nfs/dbraw/zinc/56/78/72/419567872.db2.gz FTCVVOYSYVWRJY-LBPRGKRZSA-N 2 2 299.871 3.008 20 0 CGADLP Clc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663345025 419567882 /nfs/dbraw/zinc/56/78/82/419567882.db2.gz FTCVVOYSYVWRJY-LBPRGKRZSA-N 2 2 299.871 3.008 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000658093250 419570097 /nfs/dbraw/zinc/57/00/97/419570097.db2.gz UBLOAKXYLOUKEO-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000658093250 419570104 /nfs/dbraw/zinc/57/01/04/419570104.db2.gz UBLOAKXYLOUKEO-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000658096226 419572017 /nfs/dbraw/zinc/57/20/17/419572017.db2.gz OWWXLMUKWNWUSH-KKUMJFAQSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000658096226 419572022 /nfs/dbraw/zinc/57/20/22/419572022.db2.gz OWWXLMUKWNWUSH-KKUMJFAQSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095658 419573958 /nfs/dbraw/zinc/57/39/58/419573958.db2.gz JYCHBPOEKMDVFJ-UKRRQHHQSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095658 419573967 /nfs/dbraw/zinc/57/39/67/419573967.db2.gz JYCHBPOEKMDVFJ-UKRRQHHQSA-N 2 2 278.415 3.219 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000663425395 419603125 /nfs/dbraw/zinc/60/31/25/419603125.db2.gz PXSHKCWXICZOSQ-CYBMUJFWSA-N 2 2 297.402 3.200 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000663510465 419640291 /nfs/dbraw/zinc/64/02/91/419640291.db2.gz QJFXMZSQHPFWOG-AWEZNQCLSA-N 2 2 284.403 3.060 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193513 419652002 /nfs/dbraw/zinc/65/20/02/419652002.db2.gz WDTRDHBJBYGILV-GOEBONIOSA-N 2 2 293.430 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193513 419652010 /nfs/dbraw/zinc/65/20/10/419652010.db2.gz WDTRDHBJBYGILV-GOEBONIOSA-N 2 2 293.430 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000658286186 419734734 /nfs/dbraw/zinc/73/47/34/419734734.db2.gz PXWTWSJIGNEGSG-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000658286186 419734742 /nfs/dbraw/zinc/73/47/42/419734742.db2.gz PXWTWSJIGNEGSG-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H]([NH2+]CCCOC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194039476 287611636 /nfs/dbraw/zinc/61/16/36/287611636.db2.gz BBOKOASYDAMLMZ-LBPRGKRZSA-N 2 2 295.333 3.152 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC000193814331 262228988 /nfs/dbraw/zinc/22/89/88/262228988.db2.gz IOESZVCFCKXOGJ-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391142972 262383361 /nfs/dbraw/zinc/38/33/61/262383361.db2.gz DGXJRHNHZUMJIR-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391142972 262383363 /nfs/dbraw/zinc/38/33/63/262383363.db2.gz DGXJRHNHZUMJIR-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000037154397 270028734 /nfs/dbraw/zinc/02/87/34/270028734.db2.gz BJOMJUYOEMPWCD-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP c1cn(CCCC[NH2+]C2C3CC4CC(C3)CC2C4)c[nH+]1 ZINC000044353249 270035440 /nfs/dbraw/zinc/03/54/40/270035440.db2.gz VIACISIQBOJXQI-UHFFFAOYSA-N 2 2 273.424 3.078 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683934 270037229 /nfs/dbraw/zinc/03/72/29/270037229.db2.gz CCMOYTMOHDCXBB-YMAMQOFZSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683934 270037231 /nfs/dbraw/zinc/03/72/31/270037231.db2.gz CCMOYTMOHDCXBB-YMAMQOFZSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(C)s1 ZINC000045106468 270038128 /nfs/dbraw/zinc/03/81/28/270038128.db2.gz DCOKBGZKTOVONV-UHFFFAOYSA-N 2 2 263.410 3.131 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000045094604 270038202 /nfs/dbraw/zinc/03/82/02/270038202.db2.gz KAYUPMVWQFGBAV-ZDUSSCGKSA-N 2 2 261.344 3.153 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819017 270087880 /nfs/dbraw/zinc/08/78/80/270087880.db2.gz NEQWYWRKBQGUNT-BCLQGDPASA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819017 270087881 /nfs/dbraw/zinc/08/78/81/270087881.db2.gz NEQWYWRKBQGUNT-BCLQGDPASA-N 2 2 278.827 3.270 20 0 CGADLP Cc1ccc(C2CC([NH2+]C[C@@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000228821238 270087944 /nfs/dbraw/zinc/08/79/44/270087944.db2.gz DFVGDRKKUAMQNI-ODIFPOPNSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc(C2CC([NH2+]C[C@@H](C)[N@@H+](C)C3CC3)C2)cc1 ZINC000228821238 270087945 /nfs/dbraw/zinc/08/79/45/270087945.db2.gz DFVGDRKKUAMQNI-ODIFPOPNSA-N 2 2 272.436 3.313 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000324889420 270094775 /nfs/dbraw/zinc/09/47/75/270094775.db2.gz FZLAQTFMKNTVOM-BJJXKVORSA-N 2 2 250.430 3.170 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000324889420 270094776 /nfs/dbraw/zinc/09/47/76/270094776.db2.gz FZLAQTFMKNTVOM-BJJXKVORSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC1=CC[N@H+](C)CC1 ZINC000521996008 270103581 /nfs/dbraw/zinc/10/35/81/270103581.db2.gz YWEJNZBIMXDMDT-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC1=CC[N@@H+](C)CC1 ZINC000521996008 270103582 /nfs/dbraw/zinc/10/35/82/270103582.db2.gz YWEJNZBIMXDMDT-UHFFFAOYSA-N 2 2 267.376 3.217 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000525874154 270120571 /nfs/dbraw/zinc/12/05/71/270120571.db2.gz NVTSXTITGDTMSS-CABCVRRESA-N 2 2 278.415 3.251 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000525874154 270120572 /nfs/dbraw/zinc/12/05/72/270120572.db2.gz NVTSXTITGDTMSS-CABCVRRESA-N 2 2 278.415 3.251 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000527098611 270125140 /nfs/dbraw/zinc/12/51/40/270125140.db2.gz WPMQNCGCCJZXIA-QRQLOZEOSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000527098611 270125141 /nfs/dbraw/zinc/12/51/41/270125141.db2.gz WPMQNCGCCJZXIA-QRQLOZEOSA-N 2 2 286.463 3.329 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805284 270137167 /nfs/dbraw/zinc/13/71/67/270137167.db2.gz GHYBVCFPMGXXEC-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805284 270137168 /nfs/dbraw/zinc/13/71/68/270137168.db2.gz GHYBVCFPMGXXEC-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527809445 270137537 /nfs/dbraw/zinc/13/75/37/270137537.db2.gz PLVRKCRXTOOPKV-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527809445 270137538 /nfs/dbraw/zinc/13/75/38/270137538.db2.gz PLVRKCRXTOOPKV-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527891308 270142354 /nfs/dbraw/zinc/14/23/54/270142354.db2.gz MAQRPPMJNUAKHX-YQFWSFKMSA-N 2 2 272.436 3.456 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000527905155 270143301 /nfs/dbraw/zinc/14/33/01/270143301.db2.gz XURAHQHKKJEOOZ-OAHLLOKOSA-N 2 2 281.403 3.157 20 0 CGADLP C[NH+]1CCC([C@@H]2CCN(c3[nH+]ccc4ccccc43)C2)CC1 ZINC000527939956 270145921 /nfs/dbraw/zinc/14/59/21/270145921.db2.gz VGAJRENHPVHTNE-QGZVFWFLSA-N 2 2 295.430 3.403 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951948 270146376 /nfs/dbraw/zinc/14/63/76/270146376.db2.gz RYTHXNNTYAQBLF-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951948 270146377 /nfs/dbraw/zinc/14/63/77/270146377.db2.gz RYTHXNNTYAQBLF-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccs1 ZINC000528008540 270151339 /nfs/dbraw/zinc/15/13/39/270151339.db2.gz FKGGEULHNKHGBU-TZMCWYRMSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccs1 ZINC000528008540 270151340 /nfs/dbraw/zinc/15/13/40/270151340.db2.gz FKGGEULHNKHGBU-TZMCWYRMSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015067 270151368 /nfs/dbraw/zinc/15/13/68/270151368.db2.gz WYMFBZPRXUXUBE-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015067 270151369 /nfs/dbraw/zinc/15/13/69/270151369.db2.gz WYMFBZPRXUXUBE-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C/C=C(\C)Cl)C1 ZINC000528375632 270162805 /nfs/dbraw/zinc/16/28/05/270162805.db2.gz CMSRQGBILIPXJH-XEVNVYFWSA-N 2 2 267.804 3.225 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528375632 270162806 /nfs/dbraw/zinc/16/28/06/270162806.db2.gz CMSRQGBILIPXJH-XEVNVYFWSA-N 2 2 267.804 3.225 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555456 270184707 /nfs/dbraw/zinc/18/47/07/270184707.db2.gz QPSIVMYGXDHRDI-RISCZKNCSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555456 270184708 /nfs/dbraw/zinc/18/47/08/270184708.db2.gz QPSIVMYGXDHRDI-RISCZKNCSA-N 2 2 272.383 3.027 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H](C)C2CCCCC2)n1C ZINC000529669436 270187707 /nfs/dbraw/zinc/18/77/07/270187707.db2.gz DJMFIZKKWTZQQS-CYBMUJFWSA-N 2 2 263.429 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H](C)C2CCCCC2)n1C ZINC000529669436 270187708 /nfs/dbraw/zinc/18/77/08/270187708.db2.gz DJMFIZKKWTZQQS-CYBMUJFWSA-N 2 2 263.429 3.377 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1csc(Cl)c1 ZINC000530215693 270195967 /nfs/dbraw/zinc/19/59/67/270195967.db2.gz HZKNXXXBLSZGOH-ONGXEEELSA-N 2 2 270.829 3.337 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000530244523 270197369 /nfs/dbraw/zinc/19/73/69/270197369.db2.gz MBKWAJILTMFIQP-AWEZNQCLSA-N 2 2 266.816 3.305 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531684847 270208421 /nfs/dbraw/zinc/20/84/21/270208421.db2.gz URDCCVGKJNAZFH-GJZGRUSLSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950080 270211448 /nfs/dbraw/zinc/21/14/48/270211448.db2.gz PBIASDBFKYREGD-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950080 270211449 /nfs/dbraw/zinc/21/14/49/270211449.db2.gz PBIASDBFKYREGD-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP c1cn(-c2cccc(C[NH2+]C(C3CC3)C3CC3)c2)c[nH+]1 ZINC000531966887 270211747 /nfs/dbraw/zinc/21/17/47/270211747.db2.gz VFSNLEBPSCTONR-UHFFFAOYSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984063 270212364 /nfs/dbraw/zinc/21/23/64/270212364.db2.gz KJPHGRNDJSNIPZ-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984063 270212365 /nfs/dbraw/zinc/21/23/65/270212365.db2.gz KJPHGRNDJSNIPZ-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000532532369 270217162 /nfs/dbraw/zinc/21/71/62/270217162.db2.gz AZPWXQZMWIQAIS-RDJZCZTQSA-N 2 2 260.425 3.459 20 0 CGADLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000532532369 270217163 /nfs/dbraw/zinc/21/71/63/270217163.db2.gz AZPWXQZMWIQAIS-RDJZCZTQSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531596 270217182 /nfs/dbraw/zinc/21/71/82/270217182.db2.gz RWSPNOLRWZTONM-GJZGRUSLSA-N 2 2 272.436 3.168 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531596 270217183 /nfs/dbraw/zinc/21/71/83/270217183.db2.gz RWSPNOLRWZTONM-GJZGRUSLSA-N 2 2 272.436 3.168 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000178798829 273815710 /nfs/dbraw/zinc/81/57/10/273815710.db2.gz PYMTZPCPSBWIIS-QGZVFWFLSA-N 2 2 294.402 3.288 20 0 CGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435389 274062021 /nfs/dbraw/zinc/06/20/21/274062021.db2.gz BRZKVORIGGHXSY-KBXCAEBGSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129313090 274233225 /nfs/dbraw/zinc/23/32/25/274233225.db2.gz SOVIIOGNPCEYRL-AWEZNQCLSA-N 2 2 261.413 3.364 20 0 CGADLP C[C@@H]([C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C)C1CCCCC1 ZINC000414371174 274275111 /nfs/dbraw/zinc/27/51/11/274275111.db2.gz WARPZNGQQJOYOA-KBPBESRZSA-N 2 2 292.471 3.181 20 0 CGADLP C[C@H](C[NH2+]CCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000482232744 274490712 /nfs/dbraw/zinc/49/07/12/274490712.db2.gz VETVGPVKYCEHAW-LLVKDONJSA-N 2 2 289.250 3.466 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccsc2S1 ZINC000335054699 274614829 /nfs/dbraw/zinc/61/48/29/274614829.db2.gz UTXZNKPPROUNML-GXSJLCMTSA-N 2 2 268.451 3.145 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414956194 274615349 /nfs/dbraw/zinc/61/53/49/274615349.db2.gz UZLNJEJVXRJCBU-UWVGGRQHSA-N 2 2 273.207 3.224 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCCC34CCC4)CC2)[nH+]c1 ZINC000335658812 275067470 /nfs/dbraw/zinc/06/74/70/275067470.db2.gz YQKBHHALQJSYPS-INIZCTEOSA-N 2 2 285.435 3.363 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349318247 275071620 /nfs/dbraw/zinc/07/16/20/275071620.db2.gz RBFRJJSYKITKGT-UHFFFAOYSA-N 2 2 266.388 3.120 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349318247 275071621 /nfs/dbraw/zinc/07/16/21/275071621.db2.gz RBFRJJSYKITKGT-UHFFFAOYSA-N 2 2 266.388 3.120 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299923350 275078442 /nfs/dbraw/zinc/07/84/42/275078442.db2.gz WESSWKHYGRKNNI-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299923350 275078443 /nfs/dbraw/zinc/07/84/43/275078443.db2.gz WESSWKHYGRKNNI-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000462789212 275391211 /nfs/dbraw/zinc/39/12/11/275391211.db2.gz JDCLAUKLJXJASQ-RCCFBDPRSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000423246102 276058264 /nfs/dbraw/zinc/05/82/64/276058264.db2.gz PFVLPXLYZBSIIG-RDTXWAMCSA-N 2 2 290.451 3.215 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000338786853 276131888 /nfs/dbraw/zinc/13/18/88/276131888.db2.gz NZJZQDNOOXJFTP-FHLIZLRMSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000338786853 276131890 /nfs/dbraw/zinc/13/18/90/276131890.db2.gz NZJZQDNOOXJFTP-FHLIZLRMSA-N 2 2 272.436 3.253 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000359072226 276180341 /nfs/dbraw/zinc/18/03/41/276180341.db2.gz MTAYNHUAKWGDCR-BSDSXHPESA-N 2 2 294.483 3.068 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344034864 276187946 /nfs/dbraw/zinc/18/79/46/276187946.db2.gz PGOHMEBVKGSNQF-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344034864 276187948 /nfs/dbraw/zinc/18/79/48/276187948.db2.gz PGOHMEBVKGSNQF-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100473 277182099 /nfs/dbraw/zinc/18/20/99/277182099.db2.gz WPSVEUCZMKXQAG-AAEUAGOBSA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100473 277182100 /nfs/dbraw/zinc/18/21/00/277182100.db2.gz WPSVEUCZMKXQAG-AAEUAGOBSA-N 2 2 299.340 3.021 20 0 CGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000279808211 277282203 /nfs/dbraw/zinc/28/22/03/277282203.db2.gz WYJITNJCZFSIGH-MAUKXSAKSA-N 2 2 299.418 3.249 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252770 277359956 /nfs/dbraw/zinc/35/99/56/277359956.db2.gz UPZWTHAECQFYTF-DLBZAZTESA-N 2 2 260.425 3.491 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H]1C ZINC000367439782 277730644 /nfs/dbraw/zinc/73/06/44/277730644.db2.gz XAYWVKVUWQNDCO-IPYPFGDCSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449188840 278210137 /nfs/dbraw/zinc/21/01/37/278210137.db2.gz GIMJLMBPKSVOOR-BWACUDIHSA-N 2 2 294.389 3.141 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449188840 278210139 /nfs/dbraw/zinc/21/01/39/278210139.db2.gz GIMJLMBPKSVOOR-BWACUDIHSA-N 2 2 294.389 3.141 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397802898 288030936 /nfs/dbraw/zinc/03/09/36/288030936.db2.gz CYBSYOJWFLWKCJ-AWEZNQCLSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C)C1CCC(C[NH2+][C@@H](CC[NH3+])C(F)F)CC1 ZINC000414993479 278301580 /nfs/dbraw/zinc/30/15/80/278301580.db2.gz SOWBTIJOCKOVCE-BPCQOVAHSA-N 2 2 276.415 3.411 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000397925194 288034932 /nfs/dbraw/zinc/03/49/32/288034932.db2.gz JNJAKMUOYSQXFF-NSHDSACASA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCCC1 ZINC000475196371 278354133 /nfs/dbraw/zinc/35/41/33/278354133.db2.gz QBOVWAZNTVSRDD-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCCC1 ZINC000475196371 278354136 /nfs/dbraw/zinc/35/41/36/278354136.db2.gz QBOVWAZNTVSRDD-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422947345 278375265 /nfs/dbraw/zinc/37/52/65/278375265.db2.gz QHZGGELSDRUHAG-WKPIXPDZSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000353674818 278376842 /nfs/dbraw/zinc/37/68/42/278376842.db2.gz XUNDREUXKOJUNE-UKRRQHHQSA-N 2 2 292.386 3.097 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCF ZINC000398159322 288039984 /nfs/dbraw/zinc/03/99/84/288039984.db2.gz FNMCHDDKPFYDMK-MRXNPFEDSA-N 2 2 266.404 3.092 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCF ZINC000398159322 288039988 /nfs/dbraw/zinc/03/99/88/288039988.db2.gz FNMCHDDKPFYDMK-MRXNPFEDSA-N 2 2 266.404 3.092 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000449079697 278580442 /nfs/dbraw/zinc/58/04/42/278580442.db2.gz ZXBNXQABRCARRG-IIAWOOMASA-N 2 2 275.440 3.176 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1c(C)nn(C)c1C ZINC000422798695 288073740 /nfs/dbraw/zinc/07/37/40/288073740.db2.gz SKQDJGNMCQVNKY-IXDOHACOSA-N 2 2 298.434 3.222 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459401100 288089350 /nfs/dbraw/zinc/08/93/50/288089350.db2.gz CMTSMSFMCOGDLE-UHFFFAOYSA-N 2 2 293.480 3.157 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(C)ccc1OC ZINC000423365137 288091413 /nfs/dbraw/zinc/09/14/13/288091413.db2.gz PGPYQCODFKEREB-BPUTZDHNSA-N 2 2 276.424 3.042 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435167 279037850 /nfs/dbraw/zinc/03/78/50/279037850.db2.gz CSFWURSREOGHHG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435167 279037851 /nfs/dbraw/zinc/03/78/51/279037851.db2.gz CSFWURSREOGHHG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435167 279037852 /nfs/dbraw/zinc/03/78/52/279037852.db2.gz CSFWURSREOGHHG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435167 279037853 /nfs/dbraw/zinc/03/78/53/279037853.db2.gz CSFWURSREOGHHG-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@@H+]1C ZINC000459483387 279125947 /nfs/dbraw/zinc/12/59/47/279125947.db2.gz ONEGOJPIDVTDLF-CXAGYDPISA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@H+]1C ZINC000459483387 279125948 /nfs/dbraw/zinc/12/59/48/279125948.db2.gz ONEGOJPIDVTDLF-CXAGYDPISA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459366058 279131675 /nfs/dbraw/zinc/13/16/75/279131675.db2.gz CSVGHFQOAIKEJY-QWHCGFSZSA-N 2 2 287.382 3.110 20 0 CGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459366058 279131678 /nfs/dbraw/zinc/13/16/78/279131678.db2.gz CSVGHFQOAIKEJY-QWHCGFSZSA-N 2 2 287.382 3.110 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000248729102 279165689 /nfs/dbraw/zinc/16/56/89/279165689.db2.gz IXTOUPWZAALVKC-BPQIPLTHSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000361938656 279171306 /nfs/dbraw/zinc/17/13/06/279171306.db2.gz TVFJPMDSVCUOMQ-GFCCVEGCSA-N 2 2 289.345 3.102 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000361938656 279171307 /nfs/dbraw/zinc/17/13/07/279171307.db2.gz TVFJPMDSVCUOMQ-GFCCVEGCSA-N 2 2 289.345 3.102 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000247883509 279315109 /nfs/dbraw/zinc/31/51/09/279315109.db2.gz CJOLCSBHQSKKEO-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000247883509 279315110 /nfs/dbraw/zinc/31/51/10/279315110.db2.gz CJOLCSBHQSKKEO-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000019959598 279335132 /nfs/dbraw/zinc/33/51/32/279335132.db2.gz JZHJSOBFXRIDAF-INIZCTEOSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000019959598 279335135 /nfs/dbraw/zinc/33/51/35/279335135.db2.gz JZHJSOBFXRIDAF-INIZCTEOSA-N 2 2 260.425 3.186 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000174318326 279350819 /nfs/dbraw/zinc/35/08/19/279350819.db2.gz UDMCZUPKYMSBNB-RRFJBIMHSA-N 2 2 263.429 3.324 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)[NH+](C)C ZINC000464068590 279351192 /nfs/dbraw/zinc/35/11/92/279351192.db2.gz ITNFRWKPVHZJAG-FVQBIDKESA-N 2 2 260.425 3.108 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000516748797 288129525 /nfs/dbraw/zinc/12/95/25/288129525.db2.gz KOTXQHHGOLPTJC-MRXNPFEDSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415544 288132011 /nfs/dbraw/zinc/13/20/11/288132011.db2.gz ZAHSLKSUECTXSH-CZUORRHYSA-N 2 2 262.441 3.195 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453415544 288132012 /nfs/dbraw/zinc/13/20/12/288132012.db2.gz ZAHSLKSUECTXSH-CZUORRHYSA-N 2 2 262.441 3.195 20 0 CGADLP CC(C)OC1CC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000428089773 279651898 /nfs/dbraw/zinc/65/18/98/279651898.db2.gz HQFJGOHQAGQRTP-KUQKPQIMSA-N 2 2 290.451 3.223 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423267749 279878402 /nfs/dbraw/zinc/87/84/02/279878402.db2.gz FUENEAGFBULFRY-KBPBESRZSA-N 2 2 282.815 3.127 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459366059 280022553 /nfs/dbraw/zinc/02/25/53/280022553.db2.gz CSVGHFQOAIKEJY-STQMWFEESA-N 2 2 287.382 3.110 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459366059 280022555 /nfs/dbraw/zinc/02/25/55/280022555.db2.gz CSVGHFQOAIKEJY-STQMWFEESA-N 2 2 287.382 3.110 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(C)ccc1OC ZINC000093401189 280188980 /nfs/dbraw/zinc/18/89/80/280188980.db2.gz JWOFHDKCEGOFJR-GOEBONIOSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(C)ccc1OC ZINC000093401189 280188986 /nfs/dbraw/zinc/18/89/86/280188986.db2.gz JWOFHDKCEGOFJR-GOEBONIOSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000462690825 280287414 /nfs/dbraw/zinc/28/74/14/280287414.db2.gz YHWVMKFOUXYRBA-ARFHVFGLSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000462690825 280287416 /nfs/dbraw/zinc/28/74/16/280287416.db2.gz YHWVMKFOUXYRBA-ARFHVFGLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537678 288260097 /nfs/dbraw/zinc/26/00/97/288260097.db2.gz HIOZWBMKNDUKCF-XQQFMLRXSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537678 288260100 /nfs/dbraw/zinc/26/01/00/288260100.db2.gz HIOZWBMKNDUKCF-XQQFMLRXSA-N 2 2 274.399 3.273 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000423369285 280949390 /nfs/dbraw/zinc/94/93/90/280949390.db2.gz OBKCRWSYEOBMAM-UFBFGSQYSA-N 2 2 261.196 3.381 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423404313 281001669 /nfs/dbraw/zinc/00/16/69/281001669.db2.gz ZVQJXFRIKQXYOR-DLBZAZTESA-N 2 2 287.451 3.291 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)oc2cc1C ZINC000530177851 288295335 /nfs/dbraw/zinc/29/53/35/288295335.db2.gz ITRAEVRSGYRGTG-QGZVFWFLSA-N 2 2 284.403 3.424 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179910 288296768 /nfs/dbraw/zinc/29/67/68/288296768.db2.gz YQVKPGXPIIESIB-CQSZACIVSA-N 2 2 291.464 3.175 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccco2)[nH+]1 ZINC000362088734 281247051 /nfs/dbraw/zinc/24/70/51/281247051.db2.gz XZVNPPMDIIFQLO-CQSZACIVSA-N 2 2 271.364 3.060 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccco2)[nH+]1 ZINC000362088734 281247053 /nfs/dbraw/zinc/24/70/53/281247053.db2.gz XZVNPPMDIIFQLO-CQSZACIVSA-N 2 2 271.364 3.060 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532192822 288354124 /nfs/dbraw/zinc/35/41/24/288354124.db2.gz UIVSFBLEAGKERG-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532192822 288354126 /nfs/dbraw/zinc/35/41/26/288354126.db2.gz UIVSFBLEAGKERG-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194807 288354406 /nfs/dbraw/zinc/35/44/06/288354406.db2.gz KZGDYAISUADISW-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194807 288354408 /nfs/dbraw/zinc/35/44/08/288354408.db2.gz KZGDYAISUADISW-WFASDCNBSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc2ccccc21 ZINC000532203310 288355533 /nfs/dbraw/zinc/35/55/33/288355533.db2.gz QCQLVFNAGMWYAV-GLJUWKHASA-N 2 2 268.404 3.441 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc2ccccc21 ZINC000532203310 288355535 /nfs/dbraw/zinc/35/55/35/288355535.db2.gz QCQLVFNAGMWYAV-GLJUWKHASA-N 2 2 268.404 3.441 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC000532239580 288357298 /nfs/dbraw/zinc/35/72/98/288357298.db2.gz PPGAETQITOTYKF-VQIMIIECSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)c1 ZINC000532239580 288357300 /nfs/dbraw/zinc/35/73/00/288357300.db2.gz PPGAETQITOTYKF-VQIMIIECSA-N 2 2 286.463 3.248 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000532240293 288357655 /nfs/dbraw/zinc/35/76/55/288357655.db2.gz KPBUKXPXOWRDOK-FHLIZLRMSA-N 2 2 290.426 3.393 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000532240293 288357656 /nfs/dbraw/zinc/35/76/56/288357656.db2.gz KPBUKXPXOWRDOK-FHLIZLRMSA-N 2 2 290.426 3.393 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532447563 288361394 /nfs/dbraw/zinc/36/13/94/288361394.db2.gz XWGWWQDLMKHKIA-DZKIICNBSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532447563 288361396 /nfs/dbraw/zinc/36/13/96/288361396.db2.gz XWGWWQDLMKHKIA-DZKIICNBSA-N 2 2 276.424 3.075 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473194 288363636 /nfs/dbraw/zinc/36/36/36/288363636.db2.gz XBWWANHOSUSDOQ-YOEHRIQHSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473194 288363638 /nfs/dbraw/zinc/36/36/38/288363638.db2.gz XBWWANHOSUSDOQ-YOEHRIQHSA-N 2 2 288.435 3.048 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C(C)C)C1CC1)CCC2 ZINC000532538312 288366251 /nfs/dbraw/zinc/36/62/51/288366251.db2.gz KGSNPTHGOQCUKE-HUUCEWRRSA-N 2 2 261.413 3.093 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC(C)(C)C1)Cn1cc[nH+]c1 ZINC000532785608 288368804 /nfs/dbraw/zinc/36/88/04/288368804.db2.gz WTRKXEZOYPBGLZ-LSDHHAIUSA-N 2 2 263.429 3.325 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260724 288599296 /nfs/dbraw/zinc/59/92/96/288599296.db2.gz IGEBCGRCAHHCFK-BBRMVZONSA-N 2 2 275.440 3.202 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cscn1 ZINC000542487548 288754746 /nfs/dbraw/zinc/75/47/46/288754746.db2.gz LVWKMFAMLJWQNO-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000548859594 289025794 /nfs/dbraw/zinc/02/57/94/289025794.db2.gz FAUKNFNHTRCGHI-QTUASDBPSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000548859594 289025795 /nfs/dbraw/zinc/02/57/95/289025795.db2.gz FAUKNFNHTRCGHI-QTUASDBPSA-N 2 2 284.447 3.428 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000437094184 289059736 /nfs/dbraw/zinc/05/97/36/289059736.db2.gz HTUJLVCCIGSUJO-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCNc3ccccc32)CCC1 ZINC000278839641 289061759 /nfs/dbraw/zinc/06/17/59/289061759.db2.gz USTBPAZKNZLAES-INIZCTEOSA-N 2 2 273.424 3.007 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000551010235 289095357 /nfs/dbraw/zinc/09/53/57/289095357.db2.gz YIWWREVACUMVDW-PKOBYXMFSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000551010235 289095358 /nfs/dbraw/zinc/09/53/58/289095358.db2.gz YIWWREVACUMVDW-PKOBYXMFSA-N 2 2 295.430 3.315 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000551085668 289098413 /nfs/dbraw/zinc/09/84/13/289098413.db2.gz FBNUNLDLUAYZCF-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000551085668 289098416 /nfs/dbraw/zinc/09/84/16/289098416.db2.gz FBNUNLDLUAYZCF-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000551535338 289120506 /nfs/dbraw/zinc/12/05/06/289120506.db2.gz VUOZIZLUQQNMGF-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000551535338 289120509 /nfs/dbraw/zinc/12/05/09/289120509.db2.gz VUOZIZLUQQNMGF-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587753 289124664 /nfs/dbraw/zinc/12/46/64/289124664.db2.gz JPAVVQRBSIEUSF-AAEUAGOBSA-N 2 2 286.872 3.264 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587753 289124665 /nfs/dbraw/zinc/12/46/65/289124665.db2.gz JPAVVQRBSIEUSF-AAEUAGOBSA-N 2 2 286.872 3.264 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209836 289263210 /nfs/dbraw/zinc/26/32/10/289263210.db2.gz RGOCBQYYPKVTLU-LRDDRELGSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000554209836 289263211 /nfs/dbraw/zinc/26/32/11/289263211.db2.gz RGOCBQYYPKVTLU-LRDDRELGSA-N 2 2 290.838 3.401 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000554362523 289275491 /nfs/dbraw/zinc/27/54/91/289275491.db2.gz UKFGBWZGGZATNP-SQNIBIBYSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000554362523 289275494 /nfs/dbraw/zinc/27/54/94/289275494.db2.gz UKFGBWZGGZATNP-SQNIBIBYSA-N 2 2 272.436 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725516 289305096 /nfs/dbraw/zinc/30/50/96/289305096.db2.gz QTTJKEUMHGRMBQ-OKYOBFRVSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725516 289305099 /nfs/dbraw/zinc/30/50/99/289305099.db2.gz QTTJKEUMHGRMBQ-OKYOBFRVSA-N 2 2 284.447 3.429 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556608616 289400740 /nfs/dbraw/zinc/40/07/40/289400740.db2.gz IXUFSZUXBNQXOX-CQSZACIVSA-N 2 2 299.418 3.469 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H](C)C1 ZINC000556608666 289400773 /nfs/dbraw/zinc/40/07/73/289400773.db2.gz QRRHJJFANMVXSW-NFAWXSAZSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1C(C)(C)C1(C)C ZINC000560266116 289580840 /nfs/dbraw/zinc/58/08/40/289580840.db2.gz GGDQTQRAYOZJBA-GFCCVEGCSA-N 2 2 275.440 3.380 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(C)CC1 ZINC000360947865 290026188 /nfs/dbraw/zinc/02/61/88/290026188.db2.gz ODJQUMFCLRQBOB-QWHCGFSZSA-N 2 2 275.440 3.274 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc2c(s1)CCCC2 ZINC000423503575 290035298 /nfs/dbraw/zinc/03/52/98/290035298.db2.gz MVYYCAZMMYRXEL-SMDDNHRTSA-N 2 2 293.480 3.190 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423314104 295245243 /nfs/dbraw/zinc/24/52/43/295245243.db2.gz GOHATIYTZZXGIP-RBUKOAKNSA-N 2 2 296.414 3.112 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423109709 295246125 /nfs/dbraw/zinc/24/61/25/295246125.db2.gz OAJGPJPLZDWKOZ-IKGGRYGDSA-N 2 2 288.435 3.267 20 0 CGADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCCc1ccsc1 ZINC000518535845 295261085 /nfs/dbraw/zinc/26/10/85/295261085.db2.gz YXNFGHHUXPFVCZ-QGZVFWFLSA-N 2 2 286.444 3.239 20 0 CGADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCCc1ccsc1 ZINC000518535845 295261087 /nfs/dbraw/zinc/26/10/87/295261087.db2.gz YXNFGHHUXPFVCZ-QGZVFWFLSA-N 2 2 286.444 3.239 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000358165685 298430469 /nfs/dbraw/zinc/43/04/69/298430469.db2.gz KIPMEAMNAYOJIW-KGLIPLIRSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423356565 301021907 /nfs/dbraw/zinc/02/19/07/301021907.db2.gz GVNBTTODHUISFX-OSAQELSMSA-N 2 2 272.392 3.390 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCCO2 ZINC000423437708 301285546 /nfs/dbraw/zinc/28/55/46/301285546.db2.gz GLZJMKBCLUOEIT-JTNHKYCSSA-N 2 2 282.815 3.187 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423438707 301288583 /nfs/dbraw/zinc/28/85/83/301288583.db2.gz HDQLXOSMYXBIBL-GYSYKLTISA-N 2 2 282.815 3.187 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427894725 301911576 /nfs/dbraw/zinc/91/15/76/301911576.db2.gz LRITXZWRHWVMHS-GDBMZVCRSA-N 2 2 297.402 3.010 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119941232 302121153 /nfs/dbraw/zinc/12/11/53/302121153.db2.gz DQHCSNZZFQJCEQ-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119941232 302121155 /nfs/dbraw/zinc/12/11/55/302121155.db2.gz DQHCSNZZFQJCEQ-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268999214 302312608 /nfs/dbraw/zinc/31/26/08/302312608.db2.gz IWGLKZLUXSFZEG-SGMGOOAPSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268999214 302312610 /nfs/dbraw/zinc/31/26/10/302312610.db2.gz IWGLKZLUXSFZEG-SGMGOOAPSA-N 2 2 264.438 3.190 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423106001 303118796 /nfs/dbraw/zinc/11/87/96/303118796.db2.gz OCSLEVQZCATUOQ-CABCVRRESA-N 2 2 298.352 3.498 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000563444515 321999128 /nfs/dbraw/zinc/99/91/28/321999128.db2.gz NSELTQYFTDWYHG-GJZGRUSLSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566384724 322119787 /nfs/dbraw/zinc/11/97/87/322119787.db2.gz ZVNVNOLSDUDIRV-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566384724 322119789 /nfs/dbraw/zinc/11/97/89/322119789.db2.gz ZVNVNOLSDUDIRV-BZUAXINKSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624445 322170977 /nfs/dbraw/zinc/17/09/77/322170977.db2.gz PITQMBZMJOCIGF-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624445 322170978 /nfs/dbraw/zinc/17/09/78/322170978.db2.gz PITQMBZMJOCIGF-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624445 322170980 /nfs/dbraw/zinc/17/09/80/322170980.db2.gz PITQMBZMJOCIGF-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nsc2C)C[C@@H]1C ZINC000567624445 322170982 /nfs/dbraw/zinc/17/09/82/322170982.db2.gz PITQMBZMJOCIGF-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000568367931 322206202 /nfs/dbraw/zinc/20/62/02/322206202.db2.gz XWGJSZHBJAIORK-OAHLLOKOSA-N 2 2 287.407 3.331 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H]2CC3CCC2CC3)n1C ZINC000568883760 322226234 /nfs/dbraw/zinc/22/62/34/322226234.db2.gz SVYANNNPFXTMHX-JIFUTNICSA-N 2 2 261.413 3.033 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569221937 322240088 /nfs/dbraw/zinc/24/00/88/322240088.db2.gz KPTUJSKQWXFTPD-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569221937 322240089 /nfs/dbraw/zinc/24/00/89/322240089.db2.gz KPTUJSKQWXFTPD-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP CC1CCC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000569287026 322241953 /nfs/dbraw/zinc/24/19/53/322241953.db2.gz KNXXCQPKKYTDNU-LVDPKSTMSA-N 2 2 252.446 3.418 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000569410628 322246436 /nfs/dbraw/zinc/24/64/36/322246436.db2.gz CLBLBZPWPSWMEA-WBMJQRKESA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000569410628 322246437 /nfs/dbraw/zinc/24/64/37/322246437.db2.gz CLBLBZPWPSWMEA-WBMJQRKESA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000569410628 322246438 /nfs/dbraw/zinc/24/64/38/322246438.db2.gz CLBLBZPWPSWMEA-WBMJQRKESA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000569410628 322246440 /nfs/dbraw/zinc/24/64/40/322246440.db2.gz CLBLBZPWPSWMEA-WBMJQRKESA-N 2 2 296.842 3.121 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000572157280 322322592 /nfs/dbraw/zinc/32/25/92/322322592.db2.gz MHVJEEMWFOYGFH-HNNXBMFYSA-N 2 2 294.464 3.077 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000572157280 322322594 /nfs/dbraw/zinc/32/25/94/322322594.db2.gz MHVJEEMWFOYGFH-HNNXBMFYSA-N 2 2 294.464 3.077 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)n1C ZINC000573221465 322377168 /nfs/dbraw/zinc/37/71/68/322377168.db2.gz DDLMTRKGZQNCKG-CQSZACIVSA-N 2 2 298.434 3.180 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000582755214 329144596 /nfs/dbraw/zinc/14/45/96/329144596.db2.gz JZHXCVCZNLAWIZ-HOCLYGCPSA-N 2 2 283.419 3.459 20 0 CGADLP CC(C)n1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000582898962 329282832 /nfs/dbraw/zinc/28/28/32/329282832.db2.gz GIYCDEVBVNKYPK-FUHWJXTLSA-N 2 2 298.434 3.047 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423246163 533711418 /nfs/dbraw/zinc/71/14/18/533711418.db2.gz PNYXUYFSJKEUJK-DYVFJYSZSA-N 2 2 270.376 3.046 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000576100163 335153790 /nfs/dbraw/zinc/15/37/90/335153790.db2.gz SHNSLYVHQJKVEZ-CJNGLKHVSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000576100163 335153791 /nfs/dbraw/zinc/15/37/91/335153791.db2.gz SHNSLYVHQJKVEZ-CJNGLKHVSA-N 2 2 278.465 3.286 20 0 CGADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201646 335168504 /nfs/dbraw/zinc/16/85/04/335168504.db2.gz IMPLNDBGNZDQRO-QWHCGFSZSA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201646 335168505 /nfs/dbraw/zinc/16/85/05/335168505.db2.gz IMPLNDBGNZDQRO-QWHCGFSZSA-N 2 2 297.402 3.281 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000175007840 335171163 /nfs/dbraw/zinc/17/11/63/335171163.db2.gz ANQIXKVKEMTNSK-NYTXWWLZSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000576314067 335188334 /nfs/dbraw/zinc/18/83/34/335188334.db2.gz CITZNDZRGSFHGB-UBDQQSCGSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000576314067 335188336 /nfs/dbraw/zinc/18/83/36/335188336.db2.gz CITZNDZRGSFHGB-UBDQQSCGSA-N 2 2 290.426 3.377 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346235 335192366 /nfs/dbraw/zinc/19/23/66/335192366.db2.gz HTIFTMPICNJOIY-DUXHTMCSSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346235 335192368 /nfs/dbraw/zinc/19/23/68/335192368.db2.gz HTIFTMPICNJOIY-DUXHTMCSSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346241 335192486 /nfs/dbraw/zinc/19/24/86/335192486.db2.gz HTIFTMPICNJOIY-XKKXFUJGSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346241 335192487 /nfs/dbraw/zinc/19/24/87/335192487.db2.gz HTIFTMPICNJOIY-XKKXFUJGSA-N 2 2 292.373 3.054 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](C1CC1)C1CCCC1)CCCC2 ZINC000580621728 335304648 /nfs/dbraw/zinc/30/46/48/335304648.db2.gz LUUWJQSDWSMDFO-KRWDZBQOSA-N 2 2 273.424 3.278 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000577170031 335313847 /nfs/dbraw/zinc/31/38/47/335313847.db2.gz UJRVVKFROIHVFT-CJNGLKHVSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000577170031 335313848 /nfs/dbraw/zinc/31/38/48/335313848.db2.gz UJRVVKFROIHVFT-CJNGLKHVSA-N 2 2 264.388 3.208 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577765113 335399145 /nfs/dbraw/zinc/39/91/45/335399145.db2.gz FMMWNIQKKLOPKQ-CABCVRRESA-N 2 2 269.392 3.279 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577765113 335399147 /nfs/dbraw/zinc/39/91/47/335399147.db2.gz FMMWNIQKKLOPKQ-CABCVRRESA-N 2 2 269.392 3.279 20 0 CGADLP Cc1ccc(C)c([C@H]([NH2+][C@H](C)C[NH3+])c2ccccc2)c1 ZINC000423332647 533714766 /nfs/dbraw/zinc/71/47/66/533714766.db2.gz QWJKOFDZYKZTER-CRAIPNDOSA-N 2 2 268.404 3.330 20 0 CGADLP CC(C)COC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000184195853 335920651 /nfs/dbraw/zinc/92/06/51/335920651.db2.gz DRUNSVDIMVATJO-MRXNPFEDSA-N 2 2 294.439 3.069 20 0 CGADLP C[N@@H+](Cc1sccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000194338147 336017662 /nfs/dbraw/zinc/01/76/62/336017662.db2.gz QCOCUDDYAJTSAW-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1sccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000194338147 336017663 /nfs/dbraw/zinc/01/76/63/336017663.db2.gz QCOCUDDYAJTSAW-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1sccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000194338147 336017665 /nfs/dbraw/zinc/01/76/65/336017665.db2.gz QCOCUDDYAJTSAW-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1sccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000194338147 336017666 /nfs/dbraw/zinc/01/76/66/336017666.db2.gz QCOCUDDYAJTSAW-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2c3ccccc3O[C@H]2C)c[nH+]1 ZINC000581158965 336016829 /nfs/dbraw/zinc/01/68/29/336016829.db2.gz OHYHEZFFHKNLOW-KSSFIOAISA-N 2 2 282.387 3.434 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198749 336023611 /nfs/dbraw/zinc/02/36/11/336023611.db2.gz UAVZEXVKHDECTP-DTWKUNHWSA-N 2 2 278.343 3.079 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198749 336023612 /nfs/dbraw/zinc/02/36/12/336023612.db2.gz UAVZEXVKHDECTP-DTWKUNHWSA-N 2 2 278.343 3.079 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(O)c1Cl)C[NH+]1CCCCC1 ZINC000381431736 336063003 /nfs/dbraw/zinc/06/30/03/336063003.db2.gz USVVOKQBOBCGCV-ZDUSSCGKSA-N 2 2 296.842 3.257 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@H]1C ZINC000382075982 336081414 /nfs/dbraw/zinc/08/14/14/336081414.db2.gz UHLNNSAUPQBBHJ-WBOSRHFRSA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@H]1C ZINC000382075982 336081415 /nfs/dbraw/zinc/08/14/15/336081415.db2.gz UHLNNSAUPQBBHJ-WBOSRHFRSA-N 2 2 272.436 3.284 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000382130822 336082463 /nfs/dbraw/zinc/08/24/63/336082463.db2.gz OPCKXVCUYMUMNS-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000382130822 336082464 /nfs/dbraw/zinc/08/24/64/336082464.db2.gz OPCKXVCUYMUMNS-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000385451238 336146981 /nfs/dbraw/zinc/14/69/81/336146981.db2.gz ZCNFHSPLXSKBFG-MRXNPFEDSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385502125 336149701 /nfs/dbraw/zinc/14/97/01/336149701.db2.gz QJIOWASFTCVRRS-UHFFFAOYSA-N 2 2 258.365 3.054 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385502125 336149703 /nfs/dbraw/zinc/14/97/03/336149703.db2.gz QJIOWASFTCVRRS-UHFFFAOYSA-N 2 2 258.365 3.054 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2ccoc21)Cn1cc[nH+]c1 ZINC000449101997 534061200 /nfs/dbraw/zinc/06/12/00/534061200.db2.gz HTYNHWFCFAGOIT-ZDUSSCGKSA-N 2 2 269.348 3.055 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000449375656 534451535 /nfs/dbraw/zinc/45/15/35/534451535.db2.gz JDXYUPLYWFVZJW-SIXWZSSISA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000449375656 534451540 /nfs/dbraw/zinc/45/15/40/534451540.db2.gz JDXYUPLYWFVZJW-SIXWZSSISA-N 2 2 284.447 3.179 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc2c1 ZINC000423330338 534473557 /nfs/dbraw/zinc/47/35/57/534473557.db2.gz UENIAHVTSMTQHR-FZMZJTMJSA-N 2 2 258.365 3.129 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]CC3([NH3+])CCC3)oc2c1 ZINC000423315905 534474408 /nfs/dbraw/zinc/47/44/08/534474408.db2.gz BFBGDNHZGJGBHK-LBPRGKRZSA-N 2 2 258.365 3.273 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423380152 534481318 /nfs/dbraw/zinc/48/13/18/534481318.db2.gz GZLXRMACKWHCHR-OLZOCXBDSA-N 2 2 266.454 3.485 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423425531 534502101 /nfs/dbraw/zinc/50/21/01/534502101.db2.gz MIJVPAXEPHNCHC-OALUTQOASA-N 2 2 296.389 3.290 20 0 CGADLP c1csc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000359119048 534522207 /nfs/dbraw/zinc/52/22/07/534522207.db2.gz WPZGJDAWDCFNFE-UHFFFAOYSA-N 2 2 279.453 3.030 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)C1CC1)CCCC2 ZINC000367439337 534537457 /nfs/dbraw/zinc/53/74/57/534537457.db2.gz TUMCUQGGYATBNW-SFHVURJKSA-N 2 2 281.403 3.460 20 0 CGADLP Clc1cnccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877812 534657729 /nfs/dbraw/zinc/65/77/29/534657729.db2.gz MDPPXXDBLZBEFJ-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cnccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877812 534657732 /nfs/dbraw/zinc/65/77/32/534657732.db2.gz MDPPXXDBLZBEFJ-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP Cc1cccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000449033618 534692414 /nfs/dbraw/zinc/69/24/14/534692414.db2.gz FHYNAWRTNUHWQR-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000449029715 534711636 /nfs/dbraw/zinc/71/16/36/534711636.db2.gz POOIBQNBIMWCJF-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000449029715 534711639 /nfs/dbraw/zinc/71/16/39/534711639.db2.gz POOIBQNBIMWCJF-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP CC[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000088296586 523897913 /nfs/dbraw/zinc/89/79/13/523897913.db2.gz HRNSIUBRZNLIPU-LSDHHAIUSA-N 2 2 275.440 3.465 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1csc(Cl)c1Cl ZINC000309034548 524057665 /nfs/dbraw/zinc/05/76/65/524057665.db2.gz HHYYXRCQOAQRNQ-UHFFFAOYSA-N 2 2 267.225 3.096 20 0 CGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCO1 ZINC000436472310 534815815 /nfs/dbraw/zinc/81/58/15/534815815.db2.gz ZWGGXCDYWYVBAQ-YWIABWOTSA-N 2 2 291.439 3.055 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccccc2)o1 ZINC000155744038 525470600 /nfs/dbraw/zinc/47/06/00/525470600.db2.gz XGODCFJOEZVTJY-CQSZACIVSA-N 2 2 281.359 3.494 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149695964 525482565 /nfs/dbraw/zinc/48/25/65/525482565.db2.gz HCPJYMGUFQIARV-CJNGLKHVSA-N 2 2 287.432 3.419 20 0 CGADLP CC(C)(C)C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1(C)C ZINC000412031538 526271373 /nfs/dbraw/zinc/27/13/73/526271373.db2.gz FXQKOJDIBRRHIJ-CQSZACIVSA-N 2 2 263.429 3.420 20 0 CGADLP CC(C)(C)C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1(C)C ZINC000412031538 526271374 /nfs/dbraw/zinc/27/13/74/526271374.db2.gz FXQKOJDIBRRHIJ-CQSZACIVSA-N 2 2 263.429 3.420 20 0 CGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccncc1F ZINC000449255275 527031457 /nfs/dbraw/zinc/03/14/57/527031457.db2.gz CDGDVKNUOBVCJU-UHFFFAOYSA-N 2 2 293.430 3.355 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164205783 527194541 /nfs/dbraw/zinc/19/45/41/527194541.db2.gz FCSFYHBIIAEIHJ-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164205783 527194548 /nfs/dbraw/zinc/19/45/48/527194548.db2.gz FCSFYHBIIAEIHJ-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000427878238 527876069 /nfs/dbraw/zinc/87/60/69/527876069.db2.gz QFYPZLQNPAFETF-GVDBMIGSSA-N 2 2 295.430 3.370 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000274203831 528065955 /nfs/dbraw/zinc/06/59/55/528065955.db2.gz JADWASZGTWFGIH-LSDHHAIUSA-N 2 2 287.407 3.016 20 0 CGADLP CC[NH+](CC)CCCNc1ccc2ccccc2[nH+]1 ZINC000019991866 528113792 /nfs/dbraw/zinc/11/37/92/528113792.db2.gz LTBKZRKJOFSMQT-UHFFFAOYSA-N 2 2 257.381 3.379 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368092424 528133678 /nfs/dbraw/zinc/13/36/78/528133678.db2.gz KAQPPAMDHIUWRT-PBHICJAKSA-N 2 2 296.418 3.349 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705326 528152736 /nfs/dbraw/zinc/15/27/36/528152736.db2.gz QITBHDQOENVGOT-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705326 528152741 /nfs/dbraw/zinc/15/27/41/528152741.db2.gz QITBHDQOENVGOT-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2sc(C)nc2C)CC1 ZINC000172799928 528195006 /nfs/dbraw/zinc/19/50/06/528195006.db2.gz WXCPUETYFBVSMU-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2sc(C)nc2C)CC1 ZINC000172799928 528195014 /nfs/dbraw/zinc/19/50/14/528195014.db2.gz WXCPUETYFBVSMU-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427873151 528204818 /nfs/dbraw/zinc/20/48/18/528204818.db2.gz ZDBZURUYTADOQA-GDBMZVCRSA-N 2 2 299.418 3.336 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000414128152 528221100 /nfs/dbraw/zinc/22/11/00/528221100.db2.gz RGJGAXFBGNNKCR-INIZCTEOSA-N 2 2 263.429 3.301 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423260235 528309872 /nfs/dbraw/zinc/30/98/72/528309872.db2.gz HAGHCCJPTDATMN-ZFWWWQNUSA-N 2 2 271.408 3.259 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423235424 528331748 /nfs/dbraw/zinc/33/17/48/528331748.db2.gz AWOXSCXAYRGYID-VIFPVBQESA-N 2 2 261.196 3.254 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423248230 528335030 /nfs/dbraw/zinc/33/50/30/528335030.db2.gz QLZDDHWKOKLDGD-INIZCTEOSA-N 2 2 264.388 3.256 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423311078 528516108 /nfs/dbraw/zinc/51/61/08/528516108.db2.gz PBCNIGOJOCPLQP-LLVKDONJSA-N 2 2 290.329 3.235 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(F)ccc1F ZINC000423269691 528588419 /nfs/dbraw/zinc/58/84/19/528588419.db2.gz HJJDCZRSFKVQJH-HUUCEWRRSA-N 2 2 270.367 3.235 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367710454 528634513 /nfs/dbraw/zinc/63/45/13/528634513.db2.gz YPBMMFOBXXMAIK-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000367710454 528634518 /nfs/dbraw/zinc/63/45/18/528634518.db2.gz YPBMMFOBXXMAIK-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423354638 528726417 /nfs/dbraw/zinc/72/64/17/528726417.db2.gz DDGCCNCFJHBTQK-KEYYUXOJSA-N 2 2 276.424 3.124 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423295592 528821852 /nfs/dbraw/zinc/82/18/52/528821852.db2.gz FJQDWXHGGFDFSI-ZFWWWQNUSA-N 2 2 278.444 3.166 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423287916 528949128 /nfs/dbraw/zinc/94/91/28/528949128.db2.gz PIDMOBMYUCYIGC-NSHDSACASA-N 2 2 268.376 3.002 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423568573 529019750 /nfs/dbraw/zinc/01/97/50/529019750.db2.gz VOZJYGIEHNNJTB-ZIAGYGMSSA-N 2 2 252.427 3.321 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423277713 529068708 /nfs/dbraw/zinc/06/87/08/529068708.db2.gz PYAWAZQIXYPNQB-TVQRCGJNSA-N 2 2 258.768 3.113 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000423534334 529203671 /nfs/dbraw/zinc/20/36/71/529203671.db2.gz VNKCTOYEQMNAMS-IPMKNSEASA-N 2 2 280.415 3.483 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000414225535 529203732 /nfs/dbraw/zinc/20/37/32/529203732.db2.gz SEYJIFRFJGMBHR-KBRIMQKVSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000414225535 529203734 /nfs/dbraw/zinc/20/37/34/529203734.db2.gz SEYJIFRFJGMBHR-KBRIMQKVSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528853 529274019 /nfs/dbraw/zinc/27/40/19/529274019.db2.gz VDYNZLOMKDFOTN-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528853 529274020 /nfs/dbraw/zinc/27/40/20/529274020.db2.gz VDYNZLOMKDFOTN-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368024159 529283224 /nfs/dbraw/zinc/28/32/24/529283224.db2.gz VIMCVEIRCBQZHU-ZBFHGGJFSA-N 2 2 275.440 3.320 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000479269648 535358019 /nfs/dbraw/zinc/35/80/19/535358019.db2.gz MADJVNWUASBGKM-WMZOPIPTSA-N 2 2 272.436 3.453 20 0 CGADLP CCCc1csc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000494851180 535448570 /nfs/dbraw/zinc/44/85/70/535448570.db2.gz OYAQKWVUTRIVTH-UHFFFAOYSA-N 2 2 295.496 3.307 20 0 CGADLP CCOc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263723705 535502993 /nfs/dbraw/zinc/50/29/93/535502993.db2.gz OWRQIVOGFQFBNU-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263723705 535502998 /nfs/dbraw/zinc/50/29/98/535502998.db2.gz OWRQIVOGFQFBNU-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000125476713 535944577 /nfs/dbraw/zinc/94/45/77/535944577.db2.gz AJVBECFZNYRUIN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000125476713 535944582 /nfs/dbraw/zinc/94/45/82/535944582.db2.gz AJVBECFZNYRUIN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc2cccnc21 ZINC000124253785 536362529 /nfs/dbraw/zinc/36/25/29/536362529.db2.gz WZPNYQHGOLBSRN-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc2cccnc21 ZINC000124253785 536362531 /nfs/dbraw/zinc/36/25/31/536362531.db2.gz WZPNYQHGOLBSRN-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC(C)(C)[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000201555174 572507344 /nfs/dbraw/zinc/50/73/44/572507344.db2.gz AJRPNIQIOQVODE-UHFFFAOYSA-N 2 2 272.396 3.238 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C/C=C\Cl)C1 ZINC000733841928 572606597 /nfs/dbraw/zinc/60/65/97/572606597.db2.gz MTGOAECSMMPASE-OVUXIIJLSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C/C=C\Cl)C1 ZINC000733841928 572606600 /nfs/dbraw/zinc/60/66/00/572606600.db2.gz MTGOAECSMMPASE-OVUXIIJLSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000733841928 572606603 /nfs/dbraw/zinc/60/66/03/572606603.db2.gz MTGOAECSMMPASE-OVUXIIJLSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000733841928 572606605 /nfs/dbraw/zinc/60/66/05/572606605.db2.gz MTGOAECSMMPASE-OVUXIIJLSA-N 2 2 270.848 3.325 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797975 573180261 /nfs/dbraw/zinc/18/02/61/573180261.db2.gz AYDPPUFTXCGYTP-QWRGUYRKSA-N 2 2 287.860 3.101 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797975 573180265 /nfs/dbraw/zinc/18/02/65/573180265.db2.gz AYDPPUFTXCGYTP-QWRGUYRKSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797975 573180269 /nfs/dbraw/zinc/18/02/69/573180269.db2.gz AYDPPUFTXCGYTP-QWRGUYRKSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C[C@@H]1C ZINC000750797975 573180273 /nfs/dbraw/zinc/18/02/73/573180273.db2.gz AYDPPUFTXCGYTP-QWRGUYRKSA-N 2 2 287.860 3.101 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000892034720 618496588 /nfs/dbraw/zinc/49/65/88/618496588.db2.gz SUCQWJBPVCBPCB-CQSZACIVSA-N 2 2 278.440 3.269 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000892034720 618496592 /nfs/dbraw/zinc/49/65/92/618496592.db2.gz SUCQWJBPVCBPCB-CQSZACIVSA-N 2 2 278.440 3.269 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cncs1 ZINC000934195462 618525241 /nfs/dbraw/zinc/52/52/41/618525241.db2.gz OROYWFSKVFLPAQ-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP COCCCC1(C[NH2+][C@H](C)C[NH+]2CCCCC2)CCC1 ZINC000892552953 618861412 /nfs/dbraw/zinc/86/14/12/618861412.db2.gz GRNDHYKJBQWBMJ-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(O)cc(F)c1 ZINC000924582469 618888066 /nfs/dbraw/zinc/88/80/66/618888066.db2.gz RJBAUDCDVNDJJX-CYBMUJFWSA-N 2 2 280.387 3.058 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311222987 618897413 /nfs/dbraw/zinc/89/74/13/618897413.db2.gz VSNKQILENCNBAB-LBPRGKRZSA-N 2 2 260.372 3.015 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000168234186 618911762 /nfs/dbraw/zinc/91/17/62/618911762.db2.gz YOQGWQCVNOJHNF-LBPRGKRZSA-N 2 2 291.439 3.349 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691846 619140806 /nfs/dbraw/zinc/14/08/06/619140806.db2.gz NERSFFNKRDIJCG-YOEHRIQHSA-N 2 2 283.419 3.037 20 0 CGADLP CCOc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)o1 ZINC000893535307 619208487 /nfs/dbraw/zinc/20/84/87/619208487.db2.gz VLWNYVHZVSLWLL-AWEZNQCLSA-N 2 2 280.412 3.032 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000925773610 619235348 /nfs/dbraw/zinc/23/53/48/619235348.db2.gz ZIYZOFFYOHHFEJ-RYUDHWBXSA-N 2 2 258.818 3.151 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2o1 ZINC000925780478 619242573 /nfs/dbraw/zinc/24/25/73/619242573.db2.gz SPUOIFZMOGRDAJ-YPMHNXCESA-N 2 2 294.345 3.328 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)c1OC(F)F ZINC000237080899 619403120 /nfs/dbraw/zinc/40/31/20/619403120.db2.gz OMCDBLCEDUCTRC-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)c1OC(F)F ZINC000237080899 619403123 /nfs/dbraw/zinc/40/31/23/619403123.db2.gz OMCDBLCEDUCTRC-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCSCC2)CC1 ZINC000895110668 619733816 /nfs/dbraw/zinc/73/38/16/619733816.db2.gz SRZDUAITLXHUNY-HDJSIYSDSA-N 2 2 291.464 3.054 20 0 CGADLP C[C@@H](CC1CC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110837 619733942 /nfs/dbraw/zinc/73/39/42/619733942.db2.gz ZMHKCRHUQJMRBK-BPUTZDHNSA-N 2 2 273.424 3.347 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000895672443 619869673 /nfs/dbraw/zinc/86/96/73/619869673.db2.gz YKOHDQAFVWDYDK-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP C[C@@]1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCCS1 ZINC000896194448 619966249 /nfs/dbraw/zinc/96/62/49/619966249.db2.gz NDAPVVKZPCRSTO-INIZCTEOSA-N 2 2 291.464 3.244 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccnnc1)[N@H+](C)Cc1ccccc1 ZINC000925200038 620227946 /nfs/dbraw/zinc/22/79/46/620227946.db2.gz JCIYLEZIEPKJOA-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccnnc1)[N@@H+](C)Cc1ccccc1 ZINC000925200038 620227947 /nfs/dbraw/zinc/22/79/47/620227947.db2.gz JCIYLEZIEPKJOA-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP c1ccc2c(c1)ccnc2C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980897 620461612 /nfs/dbraw/zinc/46/16/12/620461612.db2.gz FUWZXSXEIOZKAR-UHFFFAOYSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898033732 620470521 /nfs/dbraw/zinc/47/05/21/620470521.db2.gz ANADGBAKHYUORB-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898033732 620470525 /nfs/dbraw/zinc/47/05/25/620470525.db2.gz ANADGBAKHYUORB-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000924655660 620556702 /nfs/dbraw/zinc/55/67/02/620556702.db2.gz BPIIMJQJKHRPLN-AWEZNQCLSA-N 2 2 287.407 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000924655660 620556705 /nfs/dbraw/zinc/55/67/05/620556705.db2.gz BPIIMJQJKHRPLN-AWEZNQCLSA-N 2 2 287.407 3.366 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431660 621316006 /nfs/dbraw/zinc/31/60/06/621316006.db2.gz GNEZSJNXQNGDPO-NIKGAXFTSA-N 2 2 295.430 3.007 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc2ccccc2c1 ZINC000902469323 621340139 /nfs/dbraw/zinc/34/01/39/621340139.db2.gz WVEPHZDKLPDIHI-QRVDHSFSSA-N 2 2 266.388 3.383 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902471494 621341085 /nfs/dbraw/zinc/34/10/85/621341085.db2.gz PJGVNTNSRRYHMN-DGAVXFQQSA-N 2 2 264.438 3.318 20 0 CGADLP C[C@@H]([NH2+]C1CC=CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902842510 621470729 /nfs/dbraw/zinc/47/07/29/621470729.db2.gz WLNMMJTXJPYWKO-CYBMUJFWSA-N 2 2 253.349 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048933 621554759 /nfs/dbraw/zinc/55/47/59/621554759.db2.gz YXKVKPXRGHFBAR-DZGCQCFKSA-N 2 2 253.349 3.242 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903221862 621634529 /nfs/dbraw/zinc/63/45/29/621634529.db2.gz UYZXBXIOXAVMKS-XMTFNYHQSA-N 2 2 281.403 3.403 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000903268955 621655410 /nfs/dbraw/zinc/65/54/10/621655410.db2.gz OGRMGJANZBHQAJ-BPUTZDHNSA-N 2 2 271.408 3.244 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000903268955 621655416 /nfs/dbraw/zinc/65/54/16/621655416.db2.gz OGRMGJANZBHQAJ-BPUTZDHNSA-N 2 2 271.408 3.244 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453890 621761500 /nfs/dbraw/zinc/76/15/00/621761500.db2.gz OLNBOARVRPNKJO-SJLPKXTDSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453890 621761504 /nfs/dbraw/zinc/76/15/04/621761504.db2.gz OLNBOARVRPNKJO-SJLPKXTDSA-N 2 2 283.419 3.274 20 0 CGADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887296 621822560 /nfs/dbraw/zinc/82/25/60/621822560.db2.gz YKNJARRTHBOECZ-GWCFXTLKSA-N 2 2 274.330 3.191 20 0 CGADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887296 621822561 /nfs/dbraw/zinc/82/25/61/621822561.db2.gz YKNJARRTHBOECZ-GWCFXTLKSA-N 2 2 274.330 3.191 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903879122 621825212 /nfs/dbraw/zinc/82/52/12/621825212.db2.gz SPVMIUNGPJDDRZ-ZYHUDNBSSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903879122 621825214 /nfs/dbraw/zinc/82/52/14/621825214.db2.gz SPVMIUNGPJDDRZ-ZYHUDNBSSA-N 2 2 282.334 3.408 20 0 CGADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903899413 621830220 /nfs/dbraw/zinc/83/02/20/621830220.db2.gz UOGPVMAOWLGRNJ-YUELXQCFSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903899413 621830223 /nfs/dbraw/zinc/83/02/23/621830223.db2.gz UOGPVMAOWLGRNJ-YUELXQCFSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000903904034 621831722 /nfs/dbraw/zinc/83/17/22/621831722.db2.gz ZNEUQPWGFCOBKY-HIFRSBDPSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000903904034 621831723 /nfs/dbraw/zinc/83/17/23/621831723.db2.gz ZNEUQPWGFCOBKY-HIFRSBDPSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903948186 621840333 /nfs/dbraw/zinc/84/03/33/621840333.db2.gz MREHOIXKUIZQLZ-OWCLPIDISA-N 2 2 259.397 3.031 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C[NH+]1CCCC1 ZINC000057994457 622895632 /nfs/dbraw/zinc/89/56/32/622895632.db2.gz HKQZXQYKFFVSAR-YCPHGPKFSA-N 2 2 276.424 3.225 20 0 CGADLP CS[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000921529031 625648934 /nfs/dbraw/zinc/64/89/34/625648934.db2.gz XKVFLFHKHDKJIY-HIFRSBDPSA-N 2 2 293.480 3.026 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000232745145 623515349 /nfs/dbraw/zinc/51/53/49/623515349.db2.gz JJAYERKBBMPSHG-CABCVRRESA-N 2 2 266.816 3.379 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151664004 623553367 /nfs/dbraw/zinc/55/33/67/623553367.db2.gz BNAWVTNXAWJAGU-GXTWGEPZSA-N 2 2 273.405 3.028 20 0 CGADLP Fc1cccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000930129254 624506520 /nfs/dbraw/zinc/50/65/20/624506520.db2.gz MVNQFKJOYZZPIE-UHFFFAOYSA-N 2 2 299.393 3.340 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000252428936 624881617 /nfs/dbraw/zinc/88/16/17/624881617.db2.gz JBNHWYCJVSGWCN-RBSFLKMASA-N 2 2 263.429 3.466 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000929261063 625968658 /nfs/dbraw/zinc/96/86/58/625968658.db2.gz YYAZRCWIGNVLKN-HZUKXOBISA-N 2 2 261.413 3.427 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000929261063 625968664 /nfs/dbraw/zinc/96/86/64/625968664.db2.gz YYAZRCWIGNVLKN-HZUKXOBISA-N 2 2 261.413 3.427 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806141651 626795977 /nfs/dbraw/zinc/79/59/77/626795977.db2.gz KSIIMEIHFMDHSL-KURKYZTESA-N 2 2 295.430 3.482 20 0 CGADLP CCCC[C@@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765248575 627243506 /nfs/dbraw/zinc/24/35/06/627243506.db2.gz FRGYQIMLSHVOLS-LSDHHAIUSA-N 2 2 281.444 3.093 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000765255920 627243802 /nfs/dbraw/zinc/24/38/02/627243802.db2.gz AOTVAXODQCRCLH-GFCCVEGCSA-N 2 2 278.787 3.063 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000766239556 627306367 /nfs/dbraw/zinc/30/63/67/627306367.db2.gz KUMLFRKXTMKUNO-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000766239556 627306369 /nfs/dbraw/zinc/30/63/69/627306369.db2.gz KUMLFRKXTMKUNO-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000766275663 627310980 /nfs/dbraw/zinc/31/09/80/627310980.db2.gz YKDKOXRWUOQEBC-CABCVRRESA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC000766275663 627310982 /nfs/dbraw/zinc/31/09/82/627310982.db2.gz YKDKOXRWUOQEBC-CABCVRRESA-N 2 2 272.436 3.310 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381089 627325374 /nfs/dbraw/zinc/32/53/74/627325374.db2.gz GVNMPPXYXZWCNA-PBHICJAKSA-N 2 2 288.435 3.004 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381089 627325377 /nfs/dbraw/zinc/32/53/77/627325377.db2.gz GVNMPPXYXZWCNA-PBHICJAKSA-N 2 2 288.435 3.004 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815554144 631794352 /nfs/dbraw/zinc/79/43/52/631794352.db2.gz SPICUONQPRKYAT-UKRRQHHQSA-N 2 2 264.388 3.269 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815554144 631794365 /nfs/dbraw/zinc/79/43/65/631794365.db2.gz SPICUONQPRKYAT-UKRRQHHQSA-N 2 2 264.388 3.269 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000866347844 633091679 /nfs/dbraw/zinc/09/16/79/633091679.db2.gz KSPQKGYLJOGRAA-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000866347844 633091684 /nfs/dbraw/zinc/09/16/84/633091684.db2.gz KSPQKGYLJOGRAA-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000866390333 633118304 /nfs/dbraw/zinc/11/83/04/633118304.db2.gz MWSOUSYQFSUDRW-SJORKVTESA-N 2 2 289.467 3.113 20 0 CGADLP C[C@H](C[NH2+]Cc1ccnc(Cl)c1F)C[NH+]1CCCCC1 ZINC000823677143 633136103 /nfs/dbraw/zinc/13/61/03/633136103.db2.gz QGVICRWGWCWJHV-GFCCVEGCSA-N 2 2 299.821 3.086 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCOC1 ZINC000866561671 633192026 /nfs/dbraw/zinc/19/20/26/633192026.db2.gz JHSRNPVNPNYIOM-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCOC1 ZINC000866561671 633192028 /nfs/dbraw/zinc/19/20/28/633192028.db2.gz JHSRNPVNPNYIOM-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2ccnc(Cl)c2F)CCCC1 ZINC000824166812 633206670 /nfs/dbraw/zinc/20/66/70/633206670.db2.gz IGYURSIAMRLGQX-UHFFFAOYSA-N 2 2 299.821 3.086 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872021183 633942133 /nfs/dbraw/zinc/94/21/33/633942133.db2.gz OCIKEHZXGGGRJE-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000872039777 633960381 /nfs/dbraw/zinc/96/03/81/633960381.db2.gz HHIWXVOHXFLYAE-NEPJUHHUSA-N 2 2 298.418 3.134 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1C[NH3+] ZINC000872144499 634064321 /nfs/dbraw/zinc/06/43/21/634064321.db2.gz GQVUWXYJMJEPIG-OUAUKWLOSA-N 2 2 290.329 3.104 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1C[NH3+] ZINC000872144499 634064323 /nfs/dbraw/zinc/06/43/23/634064323.db2.gz GQVUWXYJMJEPIG-OUAUKWLOSA-N 2 2 290.329 3.104 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)[C@H]1CC[NH3+] ZINC000872144791 634064938 /nfs/dbraw/zinc/06/49/38/634064938.db2.gz IVEPAPRRNNOXJS-GWCFXTLKSA-N 2 2 290.329 3.248 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)[C@H]1CC[NH3+] ZINC000872144791 634064946 /nfs/dbraw/zinc/06/49/46/634064946.db2.gz IVEPAPRRNNOXJS-GWCFXTLKSA-N 2 2 290.329 3.248 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229948 634292909 /nfs/dbraw/zinc/29/29/09/634292909.db2.gz JGDGRGAAZBQMOK-KBPBESRZSA-N 2 2 284.325 3.080 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000842671972 635435773 /nfs/dbraw/zinc/43/57/73/635435773.db2.gz WLRGGXZTGOUZET-CHWSQXEVSA-N 2 2 274.399 3.417 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCCC[C@H]1C ZINC000842671972 635435779 /nfs/dbraw/zinc/43/57/79/635435779.db2.gz WLRGGXZTGOUZET-CHWSQXEVSA-N 2 2 274.399 3.417 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000879286196 635745959 /nfs/dbraw/zinc/74/59/59/635745959.db2.gz MXHDTBMPCMKRIU-LBPRGKRZSA-N 2 2 293.282 3.377 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)C1(Cc2ccccc2)CCCC1 ZINC000880120953 635917488 /nfs/dbraw/zinc/91/74/88/635917488.db2.gz KJJIXGONPFWAMK-UHFFFAOYSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC000880120953 635917491 /nfs/dbraw/zinc/91/74/91/635917491.db2.gz KJJIXGONPFWAMK-UHFFFAOYSA-N 2 2 297.446 3.450 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136033 635921689 /nfs/dbraw/zinc/92/16/89/635921689.db2.gz DMZMRINUJGELSL-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCSCc1ccccc1 ZINC000880136033 635921691 /nfs/dbraw/zinc/92/16/91/635921691.db2.gz DMZMRINUJGELSL-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCSCc1ccccc1 ZINC000880136033 635921693 /nfs/dbraw/zinc/92/16/93/635921693.db2.gz DMZMRINUJGELSL-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCSCc1ccccc1 ZINC000880136033 635921695 /nfs/dbraw/zinc/92/16/95/635921695.db2.gz DMZMRINUJGELSL-SJORKVTESA-N 2 2 290.476 3.088 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136760 635922658 /nfs/dbraw/zinc/92/26/58/635922658.db2.gz RTTNGWKLPIGPNW-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136760 635922661 /nfs/dbraw/zinc/92/26/61/635922661.db2.gz RTTNGWKLPIGPNW-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCCC1 ZINC000880136760 635922665 /nfs/dbraw/zinc/92/26/65/635922665.db2.gz RTTNGWKLPIGPNW-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCCC1 ZINC000880136760 635922670 /nfs/dbraw/zinc/92/26/70/635922670.db2.gz RTTNGWKLPIGPNW-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206176 635937533 /nfs/dbraw/zinc/93/75/33/635937533.db2.gz ZWIQECSUVAPCDP-MRXNPFEDSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)(C)CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206176 635937536 /nfs/dbraw/zinc/93/75/36/635937536.db2.gz ZWIQECSUVAPCDP-MRXNPFEDSA-N 2 2 282.472 3.046 20 0 CGADLP FC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000880234970 635947244 /nfs/dbraw/zinc/94/72/44/635947244.db2.gz XAFKSOYTMQLKCU-HNNXBMFYSA-N 2 2 273.355 3.054 20 0 CGADLP FC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000880234970 635947247 /nfs/dbraw/zinc/94/72/47/635947247.db2.gz XAFKSOYTMQLKCU-HNNXBMFYSA-N 2 2 273.355 3.054 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCC2CC2)c2ccccc2)c[nH+]1 ZINC000880571892 636023690 /nfs/dbraw/zinc/02/36/90/636023690.db2.gz VCCZWVULPXALDR-MRXNPFEDSA-N 2 2 255.365 3.014 20 0 CGADLP CC(C)=CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572284 636024072 /nfs/dbraw/zinc/02/40/72/636024072.db2.gz ZUJPXUVXXVTHAZ-MRXNPFEDSA-N 2 2 255.365 3.180 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cnccc2o1 ZINC000845926063 636119331 /nfs/dbraw/zinc/11/93/31/636119331.db2.gz DGEXXQVNBXLRFV-INIZCTEOSA-N 2 2 298.390 3.229 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000846177702 636153774 /nfs/dbraw/zinc/15/37/74/636153774.db2.gz QEKHAAPTUDDSNV-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000846177702 636153779 /nfs/dbraw/zinc/15/37/79/636153779.db2.gz QEKHAAPTUDDSNV-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP OCc1cc[nH+]c(NCCCCCCC[NH+]2CCCC2)c1 ZINC000881842310 636206200 /nfs/dbraw/zinc/20/62/00/636206200.db2.gz VDYLFPYZMAEPKU-UHFFFAOYSA-N 2 2 291.439 3.032 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568656 636611545 /nfs/dbraw/zinc/61/15/45/636611545.db2.gz NLYLNOOOTVEILR-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568656 636611549 /nfs/dbraw/zinc/61/15/49/636611549.db2.gz NLYLNOOOTVEILR-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(F)(F)C1 ZINC000883255132 636625530 /nfs/dbraw/zinc/62/55/30/636625530.db2.gz MBCZHHKCOXMPPN-UHFFFAOYSA-N 2 2 295.377 3.075 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416394 636749578 /nfs/dbraw/zinc/74/95/78/636749578.db2.gz TZSRZNZWSNVLCB-OKZBNKHCSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416394 636749582 /nfs/dbraw/zinc/74/95/82/636749582.db2.gz TZSRZNZWSNVLCB-OKZBNKHCSA-N 2 2 288.435 3.110 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000850344059 637021923 /nfs/dbraw/zinc/02/19/23/637021923.db2.gz VSOWBSVRSBBDJJ-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1C ZINC000850344059 637021928 /nfs/dbraw/zinc/02/19/28/637021928.db2.gz VSOWBSVRSBBDJJ-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157663 637441319 /nfs/dbraw/zinc/44/13/19/637441319.db2.gz HXCFJCOXWBGGIO-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157663 637441322 /nfs/dbraw/zinc/44/13/22/637441322.db2.gz HXCFJCOXWBGGIO-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000886897958 637718482 /nfs/dbraw/zinc/71/84/82/637718482.db2.gz MVSJDWRGZLJARA-UHFFFAOYSA-N 2 2 279.334 3.076 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000222553467 637801711 /nfs/dbraw/zinc/80/17/11/637801711.db2.gz APJAJWLXSFUOFE-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000222565389 637802644 /nfs/dbraw/zinc/80/26/44/637802644.db2.gz ZPLGVRYHICRAMV-CQSZACIVSA-N 2 2 275.371 3.023 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924576334 638366258 /nfs/dbraw/zinc/36/62/58/638366258.db2.gz CNLBNKKEDNMCCB-CQSZACIVSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccns1 ZINC000924602611 638372481 /nfs/dbraw/zinc/37/24/81/638372481.db2.gz ZJHMFUZIWAHCHS-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccns1 ZINC000924602611 638372487 /nfs/dbraw/zinc/37/24/87/638372487.db2.gz ZJHMFUZIWAHCHS-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000114504646 638374712 /nfs/dbraw/zinc/37/47/12/638374712.db2.gz FMFLLJNXEATBCU-UHFFFAOYSA-N 2 2 281.359 3.372 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732132 638396847 /nfs/dbraw/zinc/39/68/47/638396847.db2.gz LYDFGQNAPSBHEU-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Cl)CC1 ZINC000924776146 638401988 /nfs/dbraw/zinc/40/19/88/638401988.db2.gz MBQYSAGRVOBUDB-LLVKDONJSA-N 2 2 293.773 3.261 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925576721 638536075 /nfs/dbraw/zinc/53/60/75/638536075.db2.gz YILHVPFYEMDAGS-VVWQDTPRSA-N 2 2 298.430 3.177 20 0 CGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])Oc1ccccc1 ZINC000925600876 638541647 /nfs/dbraw/zinc/54/16/47/638541647.db2.gz GADHVPFAYQYAQN-RVKKMQEKSA-N 2 2 284.403 3.132 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750835 638595791 /nfs/dbraw/zinc/59/57/91/638595791.db2.gz IOMAOQGAMZCJCJ-IAQYHMDHSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750835 638595800 /nfs/dbraw/zinc/59/58/00/638595800.db2.gz IOMAOQGAMZCJCJ-IAQYHMDHSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858104386 638629119 /nfs/dbraw/zinc/62/91/19/638629119.db2.gz JFSKWQBHCVEIIL-QCEMKRCNSA-N 2 2 275.440 3.322 20 0 CGADLP CSCCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926216084 638742787 /nfs/dbraw/zinc/74/27/87/638742787.db2.gz USSFZGQGUPWWMQ-HUUCEWRRSA-N 2 2 270.486 3.126 20 0 CGADLP CSCCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926216084 638742798 /nfs/dbraw/zinc/74/27/98/638742798.db2.gz USSFZGQGUPWWMQ-HUUCEWRRSA-N 2 2 270.486 3.126 20 0 CGADLP CSCCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926216082 638743279 /nfs/dbraw/zinc/74/32/79/638743279.db2.gz USSFZGQGUPWWMQ-CABCVRRESA-N 2 2 270.486 3.126 20 0 CGADLP CSCCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926216082 638743286 /nfs/dbraw/zinc/74/32/86/638743286.db2.gz USSFZGQGUPWWMQ-CABCVRRESA-N 2 2 270.486 3.126 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1coc2ccccc12 ZINC000926230338 638748310 /nfs/dbraw/zinc/74/83/10/638748310.db2.gz SILFNLOWSCGJOI-STQMWFEESA-N 2 2 281.359 3.295 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)[C@@H]1c1cccnc1 ZINC000926579441 638787389 /nfs/dbraw/zinc/78/73/89/638787389.db2.gz FCDVQOCHHHUYKS-WMZOPIPTSA-N 2 2 299.462 3.387 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)[C@@H]1c1cccnc1 ZINC000926579441 638787391 /nfs/dbraw/zinc/78/73/91/638787391.db2.gz FCDVQOCHHHUYKS-WMZOPIPTSA-N 2 2 299.462 3.387 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926646128 638794487 /nfs/dbraw/zinc/79/44/87/638794487.db2.gz VLJPREPXIHWGJD-OAHLLOKOSA-N 2 2 295.858 3.290 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926646128 638794489 /nfs/dbraw/zinc/79/44/89/638794489.db2.gz VLJPREPXIHWGJD-OAHLLOKOSA-N 2 2 295.858 3.290 20 0 CGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ncccn1 ZINC000931271541 639130047 /nfs/dbraw/zinc/13/00/47/639130047.db2.gz KKZYSDZGCMMSAC-HNNXBMFYSA-N 2 2 298.434 3.121 20 0 CGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)c1ncccn1 ZINC000931271541 639130048 /nfs/dbraw/zinc/13/00/48/639130048.db2.gz KKZYSDZGCMMSAC-HNNXBMFYSA-N 2 2 298.434 3.121 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000931349646 639138712 /nfs/dbraw/zinc/13/87/12/639138712.db2.gz GLPSNHQETQEFNG-UHFFFAOYSA-N 2 2 296.455 3.334 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(C)[nH+]1 ZINC000931554771 639170180 /nfs/dbraw/zinc/17/01/80/639170180.db2.gz BJLAIZKTCFGIFS-GHMZBOCLSA-N 2 2 273.302 3.013 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)c2cc3cnccc3o2)c(C)[nH+]1 ZINC000931562568 639170737 /nfs/dbraw/zinc/17/07/37/639170737.db2.gz BYMYJNYNELGTAF-JTQLQIEISA-N 2 2 270.336 3.019 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932926839 639401074 /nfs/dbraw/zinc/40/10/74/639401074.db2.gz MSBRGYLIXSMIJG-MRXNPFEDSA-N 2 2 289.448 3.350 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932926839 639401078 /nfs/dbraw/zinc/40/10/78/639401078.db2.gz MSBRGYLIXSMIJG-MRXNPFEDSA-N 2 2 289.448 3.350 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000195251968 640574749 /nfs/dbraw/zinc/57/47/49/640574749.db2.gz XPQHIVUKWWOJHD-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415142543 640859941 /nfs/dbraw/zinc/85/99/41/640859941.db2.gz ZBOXNWTYMWRXKR-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415142543 640859943 /nfs/dbraw/zinc/85/99/43/640859943.db2.gz ZBOXNWTYMWRXKR-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1cc2[nH+]c(C3(C)CC[NH+](C)CC3)[nH]c2c(C)c1 ZINC001250564970 805697084 /nfs/dbraw/zinc/69/70/84/805697084.db2.gz WPYZPEUUBJWROB-UHFFFAOYSA-N 2 2 257.381 3.163 20 0 CGADLP COc1ccc2[nH+]c(NC3(C)CC[NH2+]CC3)c(C)cc2c1 ZINC001157396802 805806428 /nfs/dbraw/zinc/80/64/28/805806428.db2.gz GECZVQLSAASXKR-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cc[nH+]c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c1 ZINC001158729816 805990099 /nfs/dbraw/zinc/99/00/99/805990099.db2.gz NNJIYAMVLBDCFS-OAHLLOKOSA-N 2 2 283.375 3.330 20 0 CGADLP Cc1cccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1C ZINC001159261244 806067371 /nfs/dbraw/zinc/06/73/71/806067371.db2.gz CHBTVURKUVWSQQ-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP CC[NH+](CC)Cc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001159281962 806073532 /nfs/dbraw/zinc/07/35/32/806073532.db2.gz JXPFXFDTNCYGHS-UHFFFAOYSA-N 2 2 270.380 3.249 20 0 CGADLP CC(C)(C[NH3+])c1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001159580254 806124828 /nfs/dbraw/zinc/12/48/28/806124828.db2.gz MCOXEBNIXKUXNW-UHFFFAOYSA-N 2 2 280.375 3.494 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc3c(c2)C[NH2+]CC3)c1C ZINC001159615136 806132211 /nfs/dbraw/zinc/13/22/11/806132211.db2.gz CKHHJKWCNGEJEG-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1[nH+]cc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1N ZINC001159757619 806166093 /nfs/dbraw/zinc/16/60/93/806166093.db2.gz RBMOSOSLQDKACU-UHFFFAOYSA-N 2 2 282.391 3.183 20 0 CGADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437325 806398830 /nfs/dbraw/zinc/39/88/30/806398830.db2.gz VYDZDHNGBWISDA-INIZCTEOSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC001254437325 806398839 /nfs/dbraw/zinc/39/88/39/806398839.db2.gz VYDZDHNGBWISDA-INIZCTEOSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC(C)(C)C1 ZINC001254840756 806495893 /nfs/dbraw/zinc/49/58/93/806495893.db2.gz NLVWYMFUVQMYGO-KBMXLJTQSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254836159 806493544 /nfs/dbraw/zinc/49/35/44/806493544.db2.gz KSJSSUXDLHAJBX-QGZVFWFLSA-N 2 2 272.436 3.038 20 0 CGADLP c1ccc(C2CC([NH2+][C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254840091 806494940 /nfs/dbraw/zinc/49/49/40/806494940.db2.gz BVGDKPDTSKTOFG-DAWZGUTISA-N 2 2 270.420 3.007 20 0 CGADLP C(C[NH2+][C@H]1CC2CC[NH+](CC2)C1)CC1CCCCC1 ZINC001254846960 806497303 /nfs/dbraw/zinc/49/73/03/806497303.db2.gz YZJVJGUHWNSJRR-KRWDZBQOSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255029506 806529705 /nfs/dbraw/zinc/52/97/05/806529705.db2.gz VMIODSXBELQAFU-SFHVURJKSA-N 2 2 294.398 3.011 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255029506 806529709 /nfs/dbraw/zinc/52/97/09/806529709.db2.gz VMIODSXBELQAFU-SFHVURJKSA-N 2 2 294.398 3.011 20 0 CGADLP COc1ccc([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)c2[nH]ccc21 ZINC001162455561 806587252 /nfs/dbraw/zinc/58/72/52/806587252.db2.gz DUJFWPMFOPSJCF-OLZOCXBDSA-N 2 2 287.407 3.224 20 0 CGADLP Cc1cc2cc(NCc3ccc4c(c3)CC[NH2+]C4)[nH+]cc2[nH]1 ZINC001162801672 806668004 /nfs/dbraw/zinc/66/80/04/806668004.db2.gz CSDLOASWHMPDIX-UHFFFAOYSA-N 2 2 292.386 3.129 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001255646655 806693290 /nfs/dbraw/zinc/69/32/90/806693290.db2.gz RAMPFQFUWRJYRR-LBPRGKRZSA-N 2 2 278.362 3.278 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037644154 798871545 /nfs/dbraw/zinc/87/15/45/798871545.db2.gz WDGNCSOBIYWHCN-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037644154 798871549 /nfs/dbraw/zinc/87/15/49/798871549.db2.gz WDGNCSOBIYWHCN-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CCc1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000037924621 798879604 /nfs/dbraw/zinc/87/96/04/798879604.db2.gz KAXJNAFLDGQXSX-ZDUSSCGKSA-N 2 2 292.452 3.107 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000094901285 798972424 /nfs/dbraw/zinc/97/24/24/798972424.db2.gz AGNMDYGZEXIAGX-KRWDZBQOSA-N 2 2 260.425 3.198 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000094901285 798972426 /nfs/dbraw/zinc/97/24/26/798972426.db2.gz AGNMDYGZEXIAGX-KRWDZBQOSA-N 2 2 260.425 3.198 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157261502 799069088 /nfs/dbraw/zinc/06/90/88/799069088.db2.gz RLRDINVSXCNWMS-DQYPLSBCSA-N 2 2 282.387 3.491 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000309888639 799219782 /nfs/dbraw/zinc/21/97/82/799219782.db2.gz CSXGVUHVJDPGKQ-OKZBNKHCSA-N 2 2 293.414 3.404 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000309888639 799219787 /nfs/dbraw/zinc/21/97/87/799219787.db2.gz CSXGVUHVJDPGKQ-OKZBNKHCSA-N 2 2 293.414 3.404 20 0 CGADLP Cc1c[nH+]cc(N[C@H]2C[NH2+]Cc3ccsc32)c1C ZINC001163230721 806732181 /nfs/dbraw/zinc/73/21/81/806732181.db2.gz ZFVLGSDHLBQEID-ZDUSSCGKSA-N 2 2 259.378 3.016 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001257462791 807168088 /nfs/dbraw/zinc/16/80/88/807168088.db2.gz BUEIIFSLCLBCPQ-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1F ZINC000384434829 799416010 /nfs/dbraw/zinc/41/60/10/799416010.db2.gz DONGGWQZGCMFKO-CQSZACIVSA-N 2 2 276.399 3.098 20 0 CGADLP Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1F ZINC000384434829 799416015 /nfs/dbraw/zinc/41/60/15/799416015.db2.gz DONGGWQZGCMFKO-CQSZACIVSA-N 2 2 276.399 3.098 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000389198897 799460993 /nfs/dbraw/zinc/46/09/93/799460993.db2.gz YFGGXYYPKIUJSA-NXOAAHMSSA-N 2 2 264.457 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000389198897 799460994 /nfs/dbraw/zinc/46/09/94/799460994.db2.gz YFGGXYYPKIUJSA-NXOAAHMSSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001163365754 806749256 /nfs/dbraw/zinc/74/92/56/806749256.db2.gz MVHQWMLEOCEYAS-BXUZGUMPSA-N 2 2 265.376 3.060 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001163365754 806749262 /nfs/dbraw/zinc/74/92/62/806749262.db2.gz MVHQWMLEOCEYAS-BXUZGUMPSA-N 2 2 265.376 3.060 20 0 CGADLP CCC(CC)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390581119 799471589 /nfs/dbraw/zinc/47/15/89/799471589.db2.gz IYPMCIADCOEAAS-KRWDZBQOSA-N 2 2 260.425 3.429 20 0 CGADLP CCC(CC)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390581119 799471592 /nfs/dbraw/zinc/47/15/92/799471592.db2.gz IYPMCIADCOEAAS-KRWDZBQOSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414776999 799594150 /nfs/dbraw/zinc/59/41/50/799594150.db2.gz XFWSYBQJJHGIIH-RDTXWAMCSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000414776999 799594156 /nfs/dbraw/zinc/59/41/56/799594156.db2.gz XFWSYBQJJHGIIH-RDTXWAMCSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255862095 806774274 /nfs/dbraw/zinc/77/42/74/806774274.db2.gz CBYUSONCURIBRE-YOEHRIQHSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001255862095 806774278 /nfs/dbraw/zinc/77/42/78/806774278.db2.gz CBYUSONCURIBRE-YOEHRIQHSA-N 2 2 292.442 3.467 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCSCC1 ZINC000692483598 799795616 /nfs/dbraw/zinc/79/56/16/799795616.db2.gz NTVLJWRXQOZURW-UONOGXRCSA-N 2 2 281.469 3.173 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCCC1 ZINC000695964436 799837421 /nfs/dbraw/zinc/83/74/21/799837421.db2.gz OGVHEJOVSHGVAC-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000701910347 799897386 /nfs/dbraw/zinc/89/73/86/799897386.db2.gz LSRFZVBUSNTQHH-STQMWFEESA-N 2 2 292.452 3.414 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000702664290 799913581 /nfs/dbraw/zinc/91/35/81/799913581.db2.gz AOXMZAYHPJOXHE-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000702664290 799913588 /nfs/dbraw/zinc/91/35/88/799913588.db2.gz AOXMZAYHPJOXHE-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)n1 ZINC001255942807 806791726 /nfs/dbraw/zinc/79/17/26/806791726.db2.gz BHUHORYISCAUGB-CABCVRRESA-N 2 2 263.429 3.161 20 0 CGADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCCCC3)C2)cc1 ZINC000716277073 800167957 /nfs/dbraw/zinc/16/79/57/800167957.db2.gz DUDSYMMWLWJBDC-UHFFFAOYSA-N 2 2 258.409 3.041 20 0 CGADLP Cc1coc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000718120116 800212158 /nfs/dbraw/zinc/21/21/58/800212158.db2.gz QPGOKBSVMPHZMI-UHFFFAOYSA-N 2 2 284.403 3.342 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000718199217 800213924 /nfs/dbraw/zinc/21/39/24/800213924.db2.gz BCUXLHAZFNMTCO-UHFFFAOYSA-N 2 2 287.860 3.007 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721630427 800298489 /nfs/dbraw/zinc/29/84/89/800298489.db2.gz FUVHCYNNDAQATE-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001256201530 806849821 /nfs/dbraw/zinc/84/98/21/806849821.db2.gz GVDZSEBIVCGIKD-UHFFFAOYSA-N 2 2 260.425 3.381 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C(C)(C)C)CC1 ZINC001256201530 806849828 /nfs/dbraw/zinc/84/98/28/806849828.db2.gz GVDZSEBIVCGIKD-UHFFFAOYSA-N 2 2 260.425 3.381 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001256575328 806921198 /nfs/dbraw/zinc/92/11/98/806921198.db2.gz LNXZXTXWKJQIHO-UHFFFAOYSA-N 2 2 294.483 3.284 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001256575328 806921201 /nfs/dbraw/zinc/92/12/01/806921201.db2.gz LNXZXTXWKJQIHO-UHFFFAOYSA-N 2 2 294.483 3.284 20 0 CGADLP Cc1c[nH+]c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1C ZINC001165122943 806970343 /nfs/dbraw/zinc/97/03/43/806970343.db2.gz BWRKMRFLILYYTG-UHFFFAOYSA-N 2 2 293.414 3.021 20 0 CGADLP CC1([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001118233464 802539310 /nfs/dbraw/zinc/53/93/10/802539310.db2.gz PCBGOLHJEFZTNL-OAHLLOKOSA-N 2 2 258.409 3.182 20 0 CGADLP CC1([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001118233464 802539313 /nfs/dbraw/zinc/53/93/13/802539313.db2.gz PCBGOLHJEFZTNL-OAHLLOKOSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001184265675 810186845 /nfs/dbraw/zinc/18/68/45/810186845.db2.gz VFDFWLFHZJOXLN-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001184265675 810186848 /nfs/dbraw/zinc/18/68/48/810186848.db2.gz VFDFWLFHZJOXLN-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120921875 802794472 /nfs/dbraw/zinc/79/44/72/802794472.db2.gz VYALNNCOGNELGC-KGLIPLIRSA-N 2 2 259.397 3.147 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120921875 802794474 /nfs/dbraw/zinc/79/44/74/802794474.db2.gz VYALNNCOGNELGC-KGLIPLIRSA-N 2 2 259.397 3.147 20 0 CGADLP Fc1ccc(/C=C/C2CC[NH2+]CC2)cc1-n1cc[nH+]c1 ZINC001243897569 803067117 /nfs/dbraw/zinc/06/71/17/803067117.db2.gz UOQATWMLWMGNGT-OWOJBTEDSA-N 2 2 271.339 3.024 20 0 CGADLP [NH3+]CCOc1cccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001244325519 803304731 /nfs/dbraw/zinc/30/47/31/803304731.db2.gz UZHASAMCLZOVBK-UHFFFAOYSA-N 2 2 279.343 3.081 20 0 CGADLP CNc1cc(-c2cccc(C3CC[NH2+]CC3)c2)cc[nH+]1 ZINC001244972229 803598245 /nfs/dbraw/zinc/59/82/45/803598245.db2.gz LBHOHGOLLGBBNH-UHFFFAOYSA-N 2 2 267.376 3.257 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2c1cccc2F ZINC001137058741 803677015 /nfs/dbraw/zinc/67/70/15/803677015.db2.gz BWXFECSYBVLCSA-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2c1cccc2F ZINC001137058741 803677018 /nfs/dbraw/zinc/67/70/18/803677018.db2.gz BWXFECSYBVLCSA-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP COc1c(C)cccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001245362593 803713976 /nfs/dbraw/zinc/71/39/76/803713976.db2.gz WIJKEKCWAULRJB-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001245362593 803713979 /nfs/dbraw/zinc/71/39/79/803713979.db2.gz WIJKEKCWAULRJB-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c[nH+]c1N ZINC001245536943 803794645 /nfs/dbraw/zinc/79/46/45/803794645.db2.gz OVDGYTPNHYBTFW-UHFFFAOYSA-N 2 2 291.398 3.287 20 0 CGADLP Cc1cc(-c2cccc(C3CC[NH2+]CC3)c2)c[nH+]c1N ZINC001245539654 803798262 /nfs/dbraw/zinc/79/82/62/803798262.db2.gz OPMFDDFMPQZRQC-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP CCOc1cccc(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001138099902 803851613 /nfs/dbraw/zinc/85/16/13/803851613.db2.gz BASZQKRVQWDCQE-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1cccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001138099902 803851622 /nfs/dbraw/zinc/85/16/22/803851622.db2.gz BASZQKRVQWDCQE-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([N@H+](C)CC)CC2)c1 ZINC001138102497 803855234 /nfs/dbraw/zinc/85/52/34/803855234.db2.gz OWXIOODNIJQSPH-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c1 ZINC001138102497 803855244 /nfs/dbraw/zinc/85/52/44/803855244.db2.gz OWXIOODNIJQSPH-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCc1cccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001138364450 803907332 /nfs/dbraw/zinc/90/73/32/803907332.db2.gz RHIAUQNYDOFCRG-CRAIPNDOSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001138364450 803907337 /nfs/dbraw/zinc/90/73/37/803907337.db2.gz RHIAUQNYDOFCRG-CRAIPNDOSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c21 ZINC001138364450 803907346 /nfs/dbraw/zinc/90/73/46/803907346.db2.gz RHIAUQNYDOFCRG-CRAIPNDOSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c21 ZINC001138364450 803907355 /nfs/dbraw/zinc/90/73/55/803907355.db2.gz RHIAUQNYDOFCRG-CRAIPNDOSA-N 2 2 297.446 3.256 20 0 CGADLP CCCOc1ccccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001139001389 804104381 /nfs/dbraw/zinc/10/43/81/804104381.db2.gz DPYRYBBZIMUZAV-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCOc1ccccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001139001389 804104392 /nfs/dbraw/zinc/10/43/92/804104392.db2.gz DPYRYBBZIMUZAV-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](C[NH3+])c1ccccc1)CC2 ZINC001246077047 804116487 /nfs/dbraw/zinc/11/64/87/804116487.db2.gz QPNGNVLYXMDAND-MOPGFXCFSA-N 2 2 280.415 3.142 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)cc21 ZINC001139120058 804131172 /nfs/dbraw/zinc/13/11/72/804131172.db2.gz JVZMTLQSNXUWKM-MJGOQNOKSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)cc21 ZINC001139120058 804131179 /nfs/dbraw/zinc/13/11/79/804131179.db2.gz JVZMTLQSNXUWKM-MJGOQNOKSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)cc21 ZINC001139120058 804131182 /nfs/dbraw/zinc/13/11/82/804131182.db2.gz JVZMTLQSNXUWKM-MJGOQNOKSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)cc21 ZINC001139120058 804131189 /nfs/dbraw/zinc/13/11/89/804131189.db2.gz JVZMTLQSNXUWKM-MJGOQNOKSA-N 2 2 297.446 3.187 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246100292 804133440 /nfs/dbraw/zinc/13/34/40/804133440.db2.gz SMBSCTOWGHFKMX-RBSFLKMASA-N 2 2 268.420 3.169 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246100291 804133493 /nfs/dbraw/zinc/13/34/93/804133493.db2.gz SMBSCTOWGHFKMX-KFWWJZLASA-N 2 2 268.420 3.169 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246101030 804133542 /nfs/dbraw/zinc/13/35/42/804133542.db2.gz UVMXBRTZSPGASU-CABCVRRESA-N 2 2 268.420 3.169 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109138 804141095 /nfs/dbraw/zinc/14/10/95/804141095.db2.gz KIFPKHNUHKONMA-ZACQAIPSSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246129129 804156060 /nfs/dbraw/zinc/15/60/60/804156060.db2.gz PGPAQBOBLFPQPY-YPMHNXCESA-N 2 2 284.856 3.162 20 0 CGADLP CCCCCC1CCC([NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)CC1 ZINC001246137697 804162520 /nfs/dbraw/zinc/16/25/20/804162520.db2.gz ZVGGDJXFJDMGSS-CSRJKQTDSA-N 2 2 294.483 3.235 20 0 CGADLP c1ccc(C[NH2+]CC[NH2+]C2CCc3ccccc3CC2)cc1 ZINC001246164787 804180435 /nfs/dbraw/zinc/18/04/35/804180435.db2.gz BJPDWUSZJOKFMA-UHFFFAOYSA-N 2 2 294.442 3.313 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCCC34CC4)cc2)c[nH+]1 ZINC001139358707 804183453 /nfs/dbraw/zinc/18/34/53/804183453.db2.gz UVALXADFTCVBKM-UHFFFAOYSA-N 2 2 253.349 3.001 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCCC34CC4)cc2)c[nH+]1 ZINC001139358707 804183459 /nfs/dbraw/zinc/18/34/59/804183459.db2.gz UVALXADFTCVBKM-UHFFFAOYSA-N 2 2 253.349 3.001 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C[C@@H](C)C1 ZINC001246170008 804183928 /nfs/dbraw/zinc/18/39/28/804183928.db2.gz KNSDOKWMXHHVSH-QLPKVWCKSA-N 2 2 260.425 3.191 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246182150 804195670 /nfs/dbraw/zinc/19/56/70/804195670.db2.gz YGRHOCSRLRJPMF-HOCLYGCPSA-N 2 2 258.409 3.186 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)C[NH2+]1 ZINC001246186393 804196636 /nfs/dbraw/zinc/19/66/36/804196636.db2.gz ZVRFEYYMWLJDPU-WCQYABFASA-N 2 2 284.856 3.162 20 0 CGADLP Cc1c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cccc1C(F)(F)F ZINC001246231768 804224907 /nfs/dbraw/zinc/22/49/07/804224907.db2.gz GNYXYESIYAYUIH-ZWNOBZJWSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1C(F)(F)F ZINC001246237025 804230333 /nfs/dbraw/zinc/23/03/33/804230333.db2.gz WMLUUWNFZNQRIE-DGCLKSJQSA-N 2 2 286.341 3.244 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001246275883 804251762 /nfs/dbraw/zinc/25/17/62/804251762.db2.gz XVLCKLKFUMGWED-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246294796 804264138 /nfs/dbraw/zinc/26/41/38/804264138.db2.gz NAMGBZFJIJVLPC-OWCLPIDISA-N 2 2 270.461 3.092 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246296073 804264298 /nfs/dbraw/zinc/26/42/98/804264298.db2.gz XPFZPLKPTOOGEZ-YDHLFZDLSA-N 2 2 294.414 3.262 20 0 CGADLP Cn1c(C[N@H+](C)CCC[NH+]2CCCC2)cc2ccccc21 ZINC001139870292 804303619 /nfs/dbraw/zinc/30/36/19/804303619.db2.gz GFEUTJXRNLBCRS-UHFFFAOYSA-N 2 2 285.435 3.096 20 0 CGADLP Cn1c(C[N@@H+](C)CCC[NH+]2CCCC2)cc2ccccc21 ZINC001139870292 804303627 /nfs/dbraw/zinc/30/36/27/804303627.db2.gz GFEUTJXRNLBCRS-UHFFFAOYSA-N 2 2 285.435 3.096 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246392205 804317564 /nfs/dbraw/zinc/31/75/64/804317564.db2.gz VQDKFFXLXOUCBP-WCXIOVBPSA-N 2 2 282.472 3.235 20 0 CGADLP Fc1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246411259 804326889 /nfs/dbraw/zinc/32/68/89/804326889.db2.gz TXHHLTJBDNBIKC-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2cn1 ZINC001139997714 804348336 /nfs/dbraw/zinc/34/83/36/804348336.db2.gz JPSAISVSEMRXND-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccccc2cn1 ZINC001139997714 804348346 /nfs/dbraw/zinc/34/83/46/804348346.db2.gz JPSAISVSEMRXND-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(F)CC1 ZINC001140022205 804353840 /nfs/dbraw/zinc/35/38/40/804353840.db2.gz AXBRWZUERKRNJM-UHFFFAOYSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1C2CCC1CC2 ZINC001140027820 804356882 /nfs/dbraw/zinc/35/68/82/804356882.db2.gz BZMHSMNMZKLRNZ-UHFFFAOYSA-N 2 2 267.376 3.308 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(F)c1Cl ZINC001246493739 804358725 /nfs/dbraw/zinc/35/87/25/804358725.db2.gz TXIWBQVUBQWZGR-HBNTYKKESA-N 2 2 270.779 3.270 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001246492042 804358948 /nfs/dbraw/zinc/35/89/48/804358948.db2.gz RVGAWHSUAOTHSM-LERXQTSPSA-N 2 2 297.240 3.240 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246508158 804367145 /nfs/dbraw/zinc/36/71/45/804367145.db2.gz DLOBXQYFXXYQHO-ZBFHGGJFSA-N 2 2 264.413 3.253 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540196 804387686 /nfs/dbraw/zinc/38/76/86/804387686.db2.gz LRCNRDVRABBYCT-CZUORRHYSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540196 804387694 /nfs/dbraw/zinc/38/76/94/804387694.db2.gz LRCNRDVRABBYCT-CZUORRHYSA-N 2 2 278.827 3.011 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246539846 804387966 /nfs/dbraw/zinc/38/79/66/804387966.db2.gz SFJGARPNIQQIIQ-HNNXBMFYSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246539846 804387971 /nfs/dbraw/zinc/38/79/71/804387971.db2.gz SFJGARPNIQQIIQ-HNNXBMFYSA-N 2 2 278.827 3.229 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)cc1O ZINC001140202481 804401755 /nfs/dbraw/zinc/40/17/55/804401755.db2.gz RDYACXOPKBIFMX-UHFFFAOYSA-N 2 2 285.391 3.043 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246568159 804415683 /nfs/dbraw/zinc/41/56/83/804415683.db2.gz ZYVUEGVZWMCLDX-BRWVUGGUSA-N 2 2 278.415 3.159 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246568159 804415686 /nfs/dbraw/zinc/41/56/86/804415686.db2.gz ZYVUEGVZWMCLDX-BRWVUGGUSA-N 2 2 278.415 3.159 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246583870 804428429 /nfs/dbraw/zinc/42/84/29/804428429.db2.gz VXYUMTIUFRHPRN-WMZOPIPTSA-N 2 2 292.442 3.469 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246583870 804428433 /nfs/dbraw/zinc/42/84/33/804428433.db2.gz VXYUMTIUFRHPRN-WMZOPIPTSA-N 2 2 292.442 3.469 20 0 CGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610046 804445130 /nfs/dbraw/zinc/44/51/30/804445130.db2.gz NRPBRQMETUWJAS-YOEHRIQHSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610046 804445132 /nfs/dbraw/zinc/44/51/32/804445132.db2.gz NRPBRQMETUWJAS-YOEHRIQHSA-N 2 2 290.838 3.025 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645947 804473820 /nfs/dbraw/zinc/47/38/20/804473820.db2.gz FHCWDPKUSVNCJG-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645947 804473822 /nfs/dbraw/zinc/47/38/22/804473822.db2.gz FHCWDPKUSVNCJG-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001246661445 804485759 /nfs/dbraw/zinc/48/57/59/804485759.db2.gz XKGMEEXTBJVFFS-INMHGKMJSA-N 2 2 290.476 3.159 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001246661445 804485763 /nfs/dbraw/zinc/48/57/63/804485763.db2.gz XKGMEEXTBJVFFS-INMHGKMJSA-N 2 2 290.476 3.159 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246666862 804488111 /nfs/dbraw/zinc/48/81/11/804488111.db2.gz SHVVBICHXKVJMJ-JGGQBBKZSA-N 2 2 278.827 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246666862 804488115 /nfs/dbraw/zinc/48/81/15/804488115.db2.gz SHVVBICHXKVJMJ-JGGQBBKZSA-N 2 2 278.827 3.084 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC001140678308 804489098 /nfs/dbraw/zinc/48/90/98/804489098.db2.gz XTDWWAQHNMFOSS-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777930 804506692 /nfs/dbraw/zinc/50/66/92/804506692.db2.gz LHOYGYNSJQENAR-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777930 804506697 /nfs/dbraw/zinc/50/66/97/804506697.db2.gz LHOYGYNSJQENAR-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789812 804513473 /nfs/dbraw/zinc/51/34/73/804513473.db2.gz JYOYBMAESJPAHF-GDBMZVCRSA-N 2 2 264.388 3.034 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789812 804513477 /nfs/dbraw/zinc/51/34/77/804513477.db2.gz JYOYBMAESJPAHF-GDBMZVCRSA-N 2 2 264.388 3.034 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802426 804520315 /nfs/dbraw/zinc/52/03/15/804520315.db2.gz VJOSITVBOYKWEC-SNVBAGLBSA-N 2 2 265.307 3.040 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802426 804520319 /nfs/dbraw/zinc/52/03/19/804520319.db2.gz VJOSITVBOYKWEC-SNVBAGLBSA-N 2 2 265.307 3.040 20 0 CGADLP Clc1ccc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)s1 ZINC001246815830 804532213 /nfs/dbraw/zinc/53/22/13/804532213.db2.gz BHQQEDKRBNRDMA-LLVKDONJSA-N 2 2 270.829 3.290 20 0 CGADLP Clc1ccc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)s1 ZINC001246815830 804532218 /nfs/dbraw/zinc/53/22/18/804532218.db2.gz BHQQEDKRBNRDMA-LLVKDONJSA-N 2 2 270.829 3.290 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817326 804533078 /nfs/dbraw/zinc/53/30/78/804533078.db2.gz RLCRCXNSMKQIKP-DLBZAZTESA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817326 804533082 /nfs/dbraw/zinc/53/30/82/804533082.db2.gz RLCRCXNSMKQIKP-DLBZAZTESA-N 2 2 276.399 3.452 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835661 804545105 /nfs/dbraw/zinc/54/51/05/804545105.db2.gz LHGNUSWSJPFOTE-IAGOWNOFSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835661 804545109 /nfs/dbraw/zinc/54/51/09/804545109.db2.gz LHGNUSWSJPFOTE-IAGOWNOFSA-N 2 2 292.854 3.475 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851610 804562547 /nfs/dbraw/zinc/56/25/47/804562547.db2.gz MCYVOLSPWIUKEL-XPKDYRNWSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851610 804562548 /nfs/dbraw/zinc/56/25/48/804562548.db2.gz MCYVOLSPWIUKEL-XPKDYRNWSA-N 2 2 278.827 3.270 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246861282 804566483 /nfs/dbraw/zinc/56/64/83/804566483.db2.gz AUCGUAYINBRICX-JLJPHGGASA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246861282 804566485 /nfs/dbraw/zinc/56/64/85/804566485.db2.gz AUCGUAYINBRICX-JLJPHGGASA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC001246871347 804573704 /nfs/dbraw/zinc/57/37/04/804573704.db2.gz QMSXRLOKJHSGBR-XJKSGUPXSA-N 2 2 292.854 3.444 20 0 CGADLP C[C@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC001246871347 804573708 /nfs/dbraw/zinc/57/37/08/804573708.db2.gz QMSXRLOKJHSGBR-XJKSGUPXSA-N 2 2 292.854 3.444 20 0 CGADLP CCCCc1[nH]c(CN2CCC([NH+](CC)CC)CC2)c[nH+]1 ZINC001141069713 804582419 /nfs/dbraw/zinc/58/24/19/804582419.db2.gz AJDHZPYWTJZQJU-UHFFFAOYSA-N 2 2 292.471 3.059 20 0 CGADLP CCCCc1[nH]cc(CN2CCC([NH+](CC)CC)CC2)[nH+]1 ZINC001141069713 804582422 /nfs/dbraw/zinc/58/24/22/804582422.db2.gz AJDHZPYWTJZQJU-UHFFFAOYSA-N 2 2 292.471 3.059 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246907156 804591727 /nfs/dbraw/zinc/59/17/27/804591727.db2.gz ILOVAQNJDCPYLC-RYUDHWBXSA-N 2 2 282.378 3.316 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246907156 804591732 /nfs/dbraw/zinc/59/17/32/804591732.db2.gz ILOVAQNJDCPYLC-RYUDHWBXSA-N 2 2 282.378 3.316 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)c1 ZINC001246927052 804603835 /nfs/dbraw/zinc/60/38/35/804603835.db2.gz FTBCSDVFUIGXCI-DJIMGWMZSA-N 2 2 288.435 3.015 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C2)c1 ZINC001246927052 804603838 /nfs/dbraw/zinc/60/38/38/804603838.db2.gz FTBCSDVFUIGXCI-DJIMGWMZSA-N 2 2 288.435 3.015 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246940637 804609821 /nfs/dbraw/zinc/60/98/21/804609821.db2.gz JLFMMIJAHUEQQC-KRWDZBQOSA-N 3 2 295.515 3.105 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246940637 804609823 /nfs/dbraw/zinc/60/98/23/804609823.db2.gz JLFMMIJAHUEQQC-KRWDZBQOSA-N 3 2 295.515 3.105 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959120 804618239 /nfs/dbraw/zinc/61/82/39/804618239.db2.gz FCYIEASGBFFJBD-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959120 804618241 /nfs/dbraw/zinc/61/82/41/804618241.db2.gz FCYIEASGBFFJBD-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246963535 804619252 /nfs/dbraw/zinc/61/92/52/804619252.db2.gz BLTPQOLZMQHRFJ-KDOFPFPSSA-N 2 2 272.436 3.408 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246963535 804619258 /nfs/dbraw/zinc/61/92/58/804619258.db2.gz BLTPQOLZMQHRFJ-KDOFPFPSSA-N 2 2 272.436 3.408 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2sccc2OC)CC1 ZINC001141331980 804631180 /nfs/dbraw/zinc/63/11/80/804631180.db2.gz DQODVDYMBHOZJF-UHFFFAOYSA-N 2 2 296.480 3.453 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2sccc2OC)CC1 ZINC001141331980 804631184 /nfs/dbraw/zinc/63/11/84/804631184.db2.gz DQODVDYMBHOZJF-UHFFFAOYSA-N 2 2 296.480 3.453 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)s3)C[C@@H]2C1 ZINC001142031171 804689883 /nfs/dbraw/zinc/68/98/83/804689883.db2.gz BQNFLERLBRDGLO-BETUJISGSA-N 2 2 296.505 3.244 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(SC)s3)C[C@@H]2C1 ZINC001142031171 804689886 /nfs/dbraw/zinc/68/98/86/804689886.db2.gz BQNFLERLBRDGLO-BETUJISGSA-N 2 2 296.505 3.244 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(SC)s3)C[C@@H]2C1 ZINC001142031171 804689891 /nfs/dbraw/zinc/68/98/91/804689891.db2.gz BQNFLERLBRDGLO-BETUJISGSA-N 2 2 296.505 3.244 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(SC)s3)C[C@@H]2C1 ZINC001142031171 804689894 /nfs/dbraw/zinc/68/98/94/804689894.db2.gz BQNFLERLBRDGLO-BETUJISGSA-N 2 2 296.505 3.244 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2ccc(C3CC3)c[nH+]2)C1 ZINC001165290696 806988857 /nfs/dbraw/zinc/98/88/57/806988857.db2.gz WYICRQUNBAUZFT-ZDUSSCGKSA-N 2 2 259.397 3.103 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2ccc(C3CC3)c[nH+]2)C1 ZINC001165290696 806988863 /nfs/dbraw/zinc/98/88/63/806988863.db2.gz WYICRQUNBAUZFT-ZDUSSCGKSA-N 2 2 259.397 3.103 20 0 CGADLP Cc1c(F)cc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001143767721 804893554 /nfs/dbraw/zinc/89/35/54/804893554.db2.gz JDZRAQIHDSHUCP-UHFFFAOYSA-N 2 2 291.345 3.307 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)cc2cc[nH]c21 ZINC001249525800 805167380 /nfs/dbraw/zinc/16/73/80/805167380.db2.gz COIJGPPVONBTOU-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)cc2cc[nH]c21 ZINC001249525800 805167384 /nfs/dbraw/zinc/16/73/84/805167384.db2.gz COIJGPPVONBTOU-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP Cc1cccc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155062536 805530925 /nfs/dbraw/zinc/53/09/25/805530925.db2.gz FRPQZVOWMINTDF-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP Cc1cn2c(cccc2Nc2ccc3c[nH+]cn3c2)[nH+]1 ZINC001250323364 805566495 /nfs/dbraw/zinc/56/64/95/805566495.db2.gz VKPRYLKDJHKCGG-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001257359445 807122741 /nfs/dbraw/zinc/12/27/41/807122741.db2.gz RNMYUDWLZJBPKO-CQSZACIVSA-N 2 2 250.386 3.409 20 0 CGADLP CCCCC[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001257520437 807192606 /nfs/dbraw/zinc/19/26/06/807192606.db2.gz TVAPSSKDCYHNET-OAHLLOKOSA-N 2 2 291.439 3.181 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CCCSC2)CC1 ZINC001257681877 807213756 /nfs/dbraw/zinc/21/37/56/807213756.db2.gz CQHKYAFVUNZCOW-INIZCTEOSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CCCSC2)CC1 ZINC001257681877 807213757 /nfs/dbraw/zinc/21/37/57/807213757.db2.gz CQHKYAFVUNZCOW-INIZCTEOSA-N 2 2 282.497 3.221 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1cccc(C(C)C)[nH+]1 ZINC001167786767 807251565 /nfs/dbraw/zinc/25/15/65/807251565.db2.gz VAUUNWVDOVVTNQ-UHFFFAOYSA-N 2 2 256.353 3.103 20 0 CGADLP C[C@H]1CC([NH2+][C@@H]2C[C@H]2F)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015649 807301609 /nfs/dbraw/zinc/30/16/09/807301609.db2.gz RXEUNAXPELYUGX-WRFANHODSA-N 2 2 276.399 3.128 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258177888 807343606 /nfs/dbraw/zinc/34/36/06/807343606.db2.gz GARXQQTXNWDDDP-OAHLLOKOSA-N 2 2 299.418 3.112 20 0 CGADLP CSCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258207070 807364319 /nfs/dbraw/zinc/36/43/19/807364319.db2.gz RWWGCRFUPWRVKO-ZDUSSCGKSA-N 2 2 296.455 3.217 20 0 CGADLP Clc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC001168363150 807394048 /nfs/dbraw/zinc/39/40/48/807394048.db2.gz UMRAJSKLFNPWEE-UHFFFAOYSA-N 2 2 284.856 3.366 20 0 CGADLP CC1(C)CCC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001258290880 807399686 /nfs/dbraw/zinc/39/96/86/807399686.db2.gz YMCVMBLMJNAQHB-KGLIPLIRSA-N 2 2 261.413 3.491 20 0 CGADLP Cc1cc2cc[nH]c2c(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001168544589 807442975 /nfs/dbraw/zinc/44/29/75/807442975.db2.gz KWXRJZIYHUJBRB-AWEZNQCLSA-N 2 2 292.386 3.455 20 0 CGADLP C[C@H](CC1CC1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258466452 807467086 /nfs/dbraw/zinc/46/70/86/807467086.db2.gz QLYBSWGCTOMCGV-LZQZEXGQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](CC1CC1)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258466452 807467090 /nfs/dbraw/zinc/46/70/90/807467090.db2.gz QLYBSWGCTOMCGV-LZQZEXGQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258466452 807467095 /nfs/dbraw/zinc/46/70/95/807467095.db2.gz QLYBSWGCTOMCGV-LZQZEXGQSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258466452 807467098 /nfs/dbraw/zinc/46/70/98/807467098.db2.gz QLYBSWGCTOMCGV-LZQZEXGQSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258597286 807497022 /nfs/dbraw/zinc/49/70/22/807497022.db2.gz WVAGPEKQSFUNCV-MRXNPFEDSA-N 2 2 287.451 3.466 20 0 CGADLP CN(C)c1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169150855 807594789 /nfs/dbraw/zinc/59/47/89/807594789.db2.gz DWFHNINDABTHEX-SUMWQHHRSA-N 2 2 290.455 3.103 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258842266 807654002 /nfs/dbraw/zinc/65/40/02/807654002.db2.gz FEDMWCQZEBFPNT-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258842266 807654007 /nfs/dbraw/zinc/65/40/07/807654007.db2.gz FEDMWCQZEBFPNT-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258886703 807664643 /nfs/dbraw/zinc/66/46/43/807664643.db2.gz RFHAFMDXBQEQQM-CQSZACIVSA-N 2 2 295.386 3.064 20 0 CGADLP Cc1ccc(-c2cc[nH+]c(NCC3C[NH+](C)C3)c2)cc1 ZINC001170252452 807805289 /nfs/dbraw/zinc/80/52/89/807805289.db2.gz MDVAPNDCINQECM-UHFFFAOYSA-N 2 2 267.376 3.031 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1nc(C(C)(C)C)cs1 ZINC001262202443 807837046 /nfs/dbraw/zinc/83/70/46/807837046.db2.gz UNPFBTOVPRURRD-SDDRHHMPSA-N 2 2 293.480 3.361 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170730869 807889864 /nfs/dbraw/zinc/88/98/64/807889864.db2.gz LZMWUGLUDCIXQY-XQLPTFJDSA-N 2 2 264.457 3.131 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170730869 807889870 /nfs/dbraw/zinc/88/98/70/807889870.db2.gz LZMWUGLUDCIXQY-XQLPTFJDSA-N 2 2 264.457 3.131 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170949520 807943584 /nfs/dbraw/zinc/94/35/84/807943584.db2.gz ORVUNTSPYATJKR-OAHLLOKOSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170949520 807943588 /nfs/dbraw/zinc/94/35/88/807943588.db2.gz ORVUNTSPYATJKR-OAHLLOKOSA-N 2 2 278.415 3.005 20 0 CGADLP Clc1cccc2c1CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171008153 807959305 /nfs/dbraw/zinc/95/93/05/807959305.db2.gz GPRASSMSFRHFQI-CQSZACIVSA-N 2 2 289.810 3.074 20 0 CGADLP Fc1cccc2c1CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171397142 808045929 /nfs/dbraw/zinc/04/59/29/808045929.db2.gz PEBLPPSNNBWFSN-MRXNPFEDSA-N 2 2 290.426 3.149 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001171683093 808123685 /nfs/dbraw/zinc/12/36/85/808123685.db2.gz ZGKZVLXYCUQXCK-UHOSZYNNSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001171683093 808123688 /nfs/dbraw/zinc/12/36/88/808123688.db2.gz ZGKZVLXYCUQXCK-UHOSZYNNSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001171683093 808123691 /nfs/dbraw/zinc/12/36/91/808123691.db2.gz ZGKZVLXYCUQXCK-UHOSZYNNSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001171683093 808123694 /nfs/dbraw/zinc/12/36/94/808123694.db2.gz ZGKZVLXYCUQXCK-UHOSZYNNSA-N 2 2 286.463 3.342 20 0 CGADLP c1cn([C@H]2CSc3ccccc3C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001172206589 808199297 /nfs/dbraw/zinc/19/92/97/808199297.db2.gz SDMBXAYQFMBXSB-HUUCEWRRSA-N 2 2 299.443 3.240 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H]1C ZINC001172370658 808265864 /nfs/dbraw/zinc/26/58/64/808265864.db2.gz QHILXERNEDZTJF-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H]1C ZINC001172370658 808265871 /nfs/dbraw/zinc/26/58/71/808265871.db2.gz QHILXERNEDZTJF-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@@H]1C ZINC001172371487 808267278 /nfs/dbraw/zinc/26/72/78/808267278.db2.gz UPSDRYKVJOGQBK-OHFALNGGSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@@H]1C ZINC001172371487 808267283 /nfs/dbraw/zinc/26/72/83/808267283.db2.gz UPSDRYKVJOGQBK-OHFALNGGSA-N 2 2 264.457 3.275 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC001172536573 808371672 /nfs/dbraw/zinc/37/16/72/808371672.db2.gz ZJQYEHSHGNRHIO-QZTJIDSGSA-N 2 2 272.436 3.398 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570327 808396046 /nfs/dbraw/zinc/39/60/46/808396046.db2.gz VVYMNCCSHILJCW-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570327 808396053 /nfs/dbraw/zinc/39/60/53/808396053.db2.gz VVYMNCCSHILJCW-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570327 808396061 /nfs/dbraw/zinc/39/60/61/808396061.db2.gz VVYMNCCSHILJCW-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570327 808396069 /nfs/dbraw/zinc/39/60/69/808396069.db2.gz VVYMNCCSHILJCW-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172720717 808419050 /nfs/dbraw/zinc/41/90/50/808419050.db2.gz VWHYPYSLYPZONW-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172720717 808419056 /nfs/dbraw/zinc/41/90/56/808419056.db2.gz VWHYPYSLYPZONW-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP c1ccc(OC2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001173191536 808533961 /nfs/dbraw/zinc/53/39/61/808533961.db2.gz CZMQJIFQVAGLQJ-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001173235531 808544482 /nfs/dbraw/zinc/54/44/82/808544482.db2.gz MQXPVZVGSNFJBR-CRAIPNDOSA-N 2 2 274.452 3.252 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001173235531 808544488 /nfs/dbraw/zinc/54/44/88/808544488.db2.gz MQXPVZVGSNFJBR-CRAIPNDOSA-N 2 2 274.452 3.252 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173340187 808619764 /nfs/dbraw/zinc/61/97/64/808619764.db2.gz SOXURXSLVSUFNY-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3cc[nH+]c4ccccc34)n21 ZINC001174037831 808835694 /nfs/dbraw/zinc/83/56/94/808835694.db2.gz FSANFOYPPFRBKK-UHFFFAOYSA-N 2 2 274.327 3.356 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC001275137249 808916405 /nfs/dbraw/zinc/91/64/05/808916405.db2.gz VBCONTYUIWEUEI-SFHVURJKSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CCC[N@H+](CC4CC4)C3)C2)c1 ZINC001275137249 808916410 /nfs/dbraw/zinc/91/64/10/808916410.db2.gz VBCONTYUIWEUEI-SFHVURJKSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH+](CC4CC4)C3)C2)c1 ZINC001275137249 808916415 /nfs/dbraw/zinc/91/64/15/808916415.db2.gz VBCONTYUIWEUEI-SFHVURJKSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH+](CC4CC4)C3)C2)c1 ZINC001275137249 808916420 /nfs/dbraw/zinc/91/64/20/808916420.db2.gz VBCONTYUIWEUEI-SFHVURJKSA-N 2 2 287.451 3.103 20 0 CGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc2[nH+]ccn2c1 ZINC001174278878 808926044 /nfs/dbraw/zinc/92/60/44/808926044.db2.gz QCYFVAFIVDJQJZ-UHFFFAOYSA-N 2 2 281.294 3.173 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001275352816 808932359 /nfs/dbraw/zinc/93/23/59/808932359.db2.gz BHSCRHFNIGZXJX-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(OC)c1 ZINC001275352816 808932364 /nfs/dbraw/zinc/93/23/64/808932364.db2.gz BHSCRHFNIGZXJX-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cccc3F)(C1)CCC2 ZINC001275926443 808976393 /nfs/dbraw/zinc/97/63/93/808976393.db2.gz ZHOZMBZTNCIMFS-JKSUJKDBSA-N 2 2 280.362 3.119 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1F ZINC001276232996 808994070 /nfs/dbraw/zinc/99/40/70/808994070.db2.gz PMLMAQAYESJUCD-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001276232996 808994074 /nfs/dbraw/zinc/99/40/74/808994074.db2.gz PMLMAQAYESJUCD-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1F ZINC001276232996 808994077 /nfs/dbraw/zinc/99/40/77/808994077.db2.gz PMLMAQAYESJUCD-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1F ZINC001276232996 808994082 /nfs/dbraw/zinc/99/40/82/808994082.db2.gz PMLMAQAYESJUCD-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001175964784 809584205 /nfs/dbraw/zinc/58/42/05/809584205.db2.gz KXSUPBGMAPBVAC-UHFFFAOYSA-N 2 2 282.391 3.274 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1C ZINC001213536421 815303005 /nfs/dbraw/zinc/30/30/05/815303005.db2.gz IHVKJPOXQCLDJC-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc3c(c2)C[N@@H+](C)CC3)c1C ZINC001213536421 815303013 /nfs/dbraw/zinc/30/30/13/815303013.db2.gz IHVKJPOXQCLDJC-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)[NH+](C)C)c(C)c1 ZINC001177737822 809818755 /nfs/dbraw/zinc/81/87/55/809818755.db2.gz URDOONDYOBEBKW-PTZVLDCSSA-N 2 2 260.425 3.165 20 0 CGADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177764149 809819486 /nfs/dbraw/zinc/81/94/86/809819486.db2.gz CFWNQZUFPGSCME-FZMZJTMJSA-N 2 2 261.394 3.212 20 0 CGADLP c1cn(-c2csc(C[NH2+]C(C3CC3)C3CC3)c2)c[nH+]1 ZINC001177774222 809820649 /nfs/dbraw/zinc/82/06/49/809820649.db2.gz CTWMTPBWIQFXBD-UHFFFAOYSA-N 2 2 273.405 3.212 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001182195940 810098280 /nfs/dbraw/zinc/09/82/80/810098280.db2.gz LOOPLLKVHCIAPE-WMZOPIPTSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC001199402925 811575439 /nfs/dbraw/zinc/57/54/39/811575439.db2.gz AOZRWQMGFSOUKB-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001199648773 811582939 /nfs/dbraw/zinc/58/29/39/811582939.db2.gz NMWYUKMTNDYHRM-ARJAWSKDSA-N 2 2 273.355 3.105 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001200411761 811687872 /nfs/dbraw/zinc/68/78/72/811687872.db2.gz IKIOCAJUOYNHFM-ZACQAIPSSA-N 2 2 264.457 3.443 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001200411761 811687877 /nfs/dbraw/zinc/68/78/77/811687877.db2.gz IKIOCAJUOYNHFM-ZACQAIPSSA-N 2 2 264.457 3.443 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200631047 811721092 /nfs/dbraw/zinc/72/10/92/811721092.db2.gz OZICJDUMSXECGC-RYUDHWBXSA-N 2 2 263.410 3.458 20 0 CGADLP CCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201747003 811956085 /nfs/dbraw/zinc/95/60/85/811956085.db2.gz RMDIDNAOXSYTAA-ROUUACIJSA-N 2 2 287.451 3.026 20 0 CGADLP CCc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001202986239 812214625 /nfs/dbraw/zinc/21/46/25/812214625.db2.gz ONDQDIMEAKNJKM-MSOLQXFVSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001202986239 812214630 /nfs/dbraw/zinc/21/46/30/812214630.db2.gz ONDQDIMEAKNJKM-MSOLQXFVSA-N 2 2 272.436 3.356 20 0 CGADLP COc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001203438522 812357068 /nfs/dbraw/zinc/35/70/68/812357068.db2.gz JAECYLAYGQNTQL-INIZCTEOSA-N 2 2 298.386 3.052 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204457823 812646987 /nfs/dbraw/zinc/64/69/87/812646987.db2.gz XYARLHSBMKUAAQ-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204772871 812732587 /nfs/dbraw/zinc/73/25/87/812732587.db2.gz ZHZKUQKYBMRXEF-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204772871 812732592 /nfs/dbraw/zinc/73/25/92/812732592.db2.gz ZHZKUQKYBMRXEF-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205064129 812843006 /nfs/dbraw/zinc/84/30/06/812843006.db2.gz IWLDAFSBDGZWMX-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205064129 812843016 /nfs/dbraw/zinc/84/30/16/812843016.db2.gz IWLDAFSBDGZWMX-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205083553 812853226 /nfs/dbraw/zinc/85/32/26/812853226.db2.gz WGIJBWLTINWAFA-KSSFIOAISA-N 2 2 281.403 3.060 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cncc(-c2ccccc2)c1 ZINC001205083553 812853236 /nfs/dbraw/zinc/85/32/36/812853236.db2.gz WGIJBWLTINWAFA-KSSFIOAISA-N 2 2 281.403 3.060 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205263867 812922218 /nfs/dbraw/zinc/92/22/18/812922218.db2.gz DGHAQCUFYSKPRT-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Cl ZINC001205263867 812922222 /nfs/dbraw/zinc/92/22/22/812922222.db2.gz DGHAQCUFYSKPRT-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP c1cc2c(cccc2C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH]1 ZINC001205275047 812926663 /nfs/dbraw/zinc/92/66/63/812926663.db2.gz YVVANTYTTBXJKM-UHFFFAOYSA-N 2 2 295.430 3.086 20 0 CGADLP c1cc2c(cccc2C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)[nH]1 ZINC001205275047 812926669 /nfs/dbraw/zinc/92/66/69/812926669.db2.gz YVVANTYTTBXJKM-UHFFFAOYSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315323 812947644 /nfs/dbraw/zinc/94/76/44/812947644.db2.gz DUOVYUVSZPYIEW-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315323 812947645 /nfs/dbraw/zinc/94/76/45/812947645.db2.gz DUOVYUVSZPYIEW-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806313 813087287 /nfs/dbraw/zinc/08/72/87/813087287.db2.gz TWZGGQHPAZLKFQ-BXUZGUMPSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806313 813087296 /nfs/dbraw/zinc/08/72/96/813087296.db2.gz TWZGGQHPAZLKFQ-BXUZGUMPSA-N 2 2 286.341 3.265 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205817367 813095166 /nfs/dbraw/zinc/09/51/66/813095166.db2.gz QJFWLYSWDOILGP-OCCSQVGLSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205817367 813095170 /nfs/dbraw/zinc/09/51/70/813095170.db2.gz QJFWLYSWDOILGP-OCCSQVGLSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2n1 ZINC001205831165 813101540 /nfs/dbraw/zinc/10/15/40/813101540.db2.gz WRTSRPMBOTXBLC-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2n1 ZINC001205831165 813101543 /nfs/dbraw/zinc/10/15/43/813101543.db2.gz WRTSRPMBOTXBLC-SUMWQHHRSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843631 813105560 /nfs/dbraw/zinc/10/55/60/813105560.db2.gz TVXXSJVSJMNKNP-AAEUAGOBSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843631 813105562 /nfs/dbraw/zinc/10/55/62/813105562.db2.gz TVXXSJVSJMNKNP-AAEUAGOBSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852049 813108358 /nfs/dbraw/zinc/10/83/58/813108358.db2.gz DRSVXDRUQLEISQ-XJKSGUPXSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852049 813108361 /nfs/dbraw/zinc/10/83/61/813108361.db2.gz DRSVXDRUQLEISQ-XJKSGUPXSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1[NH3+] ZINC001205888374 813120010 /nfs/dbraw/zinc/12/00/10/813120010.db2.gz BVOVRBPHOZVPNB-DYVFJYSZSA-N 2 2 258.409 3.123 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1[NH3+] ZINC001205888374 813120012 /nfs/dbraw/zinc/12/00/12/813120012.db2.gz BVOVRBPHOZVPNB-DYVFJYSZSA-N 2 2 258.409 3.123 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205888980 813120292 /nfs/dbraw/zinc/12/02/92/813120292.db2.gz MTLDQBOCPLZSOX-QAPCUYQASA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205888980 813120295 /nfs/dbraw/zinc/12/02/95/813120295.db2.gz MTLDQBOCPLZSOX-QAPCUYQASA-N 2 2 295.430 3.226 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205922867 813134171 /nfs/dbraw/zinc/13/41/71/813134171.db2.gz CNUPIHQVPLSUOJ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205922867 813134176 /nfs/dbraw/zinc/13/41/76/813134176.db2.gz CNUPIHQVPLSUOJ-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205937985 813140946 /nfs/dbraw/zinc/14/09/46/813140946.db2.gz DJCLKKGWNIEWDE-AWEZNQCLSA-N 2 2 264.438 3.030 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205937985 813140950 /nfs/dbraw/zinc/14/09/50/813140950.db2.gz DJCLKKGWNIEWDE-AWEZNQCLSA-N 2 2 264.438 3.030 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C[C@H]1[NH3+] ZINC001206043718 813179725 /nfs/dbraw/zinc/17/97/25/813179725.db2.gz UHXKKGVDVJXUPY-SJKOYZFVSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@H]1[NH3+] ZINC001206043718 813179729 /nfs/dbraw/zinc/17/97/29/813179729.db2.gz UHXKKGVDVJXUPY-SJKOYZFVSA-N 2 2 272.367 3.148 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206213411 813242933 /nfs/dbraw/zinc/24/29/33/813242933.db2.gz VCKRQYWPSSBFMR-ZIAGYGMSSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206213411 813242939 /nfs/dbraw/zinc/24/29/39/813242939.db2.gz VCKRQYWPSSBFMR-ZIAGYGMSSA-N 2 2 288.769 3.049 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257663 813258381 /nfs/dbraw/zinc/25/83/81/813258381.db2.gz GTEUQPCYDXKAPV-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257663 813258384 /nfs/dbraw/zinc/25/83/84/813258384.db2.gz GTEUQPCYDXKAPV-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001206262721 813262747 /nfs/dbraw/zinc/26/27/47/813262747.db2.gz FPLDPJATGGJMJV-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001206262721 813262749 /nfs/dbraw/zinc/26/27/49/813262749.db2.gz FPLDPJATGGJMJV-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001206691796 813400396 /nfs/dbraw/zinc/40/03/96/813400396.db2.gz PONPNTXCPJBDKS-WIHSUSGWSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001206691796 813400400 /nfs/dbraw/zinc/40/04/00/813400400.db2.gz PONPNTXCPJBDKS-WIHSUSGWSA-N 2 2 294.483 3.329 20 0 CGADLP CC1=CC[C@@H](CC[N@@H+]2CCn3c(C)[nH+]cc3C2)C1(C)C ZINC001207267617 813527116 /nfs/dbraw/zinc/52/71/16/813527116.db2.gz GNIBTTMQOCDODF-HNNXBMFYSA-N 2 2 273.424 3.390 20 0 CGADLP CC1=CC[C@@H](CC[N@H+]2CCn3c(C)[nH+]cc3C2)C1(C)C ZINC001207267617 813527123 /nfs/dbraw/zinc/52/71/23/813527123.db2.gz GNIBTTMQOCDODF-HNNXBMFYSA-N 2 2 273.424 3.390 20 0 CGADLP Fc1ccccc1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207495015 813575672 /nfs/dbraw/zinc/57/56/72/813575672.db2.gz PLRIAOXKWUHXKA-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207512564 813581927 /nfs/dbraw/zinc/58/19/27/813581927.db2.gz BGBWYFHIDIWULP-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001207522241 813585830 /nfs/dbraw/zinc/58/58/30/813585830.db2.gz CBPJYPCCQMYWEN-OALUTQOASA-N 2 2 286.463 3.379 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001207522241 813585834 /nfs/dbraw/zinc/58/58/34/813585834.db2.gz CBPJYPCCQMYWEN-OALUTQOASA-N 2 2 286.463 3.379 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC001207603380 813608654 /nfs/dbraw/zinc/60/86/54/813608654.db2.gz IKRJKWGEWIWOGK-YOEHRIQHSA-N 2 2 260.425 3.035 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC001207603380 813608656 /nfs/dbraw/zinc/60/86/56/813608656.db2.gz IKRJKWGEWIWOGK-YOEHRIQHSA-N 2 2 260.425 3.035 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001208134389 813701734 /nfs/dbraw/zinc/70/17/34/813701734.db2.gz JHCNBVLWGOKRIW-IFEVLTCRSA-N 2 2 299.462 3.192 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001208171329 813725516 /nfs/dbraw/zinc/72/55/16/813725516.db2.gz VVLAIOBJHJTGGD-QAETUUGQSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001208171329 813725524 /nfs/dbraw/zinc/72/55/24/813725524.db2.gz VVLAIOBJHJTGGD-QAETUUGQSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001208171329 813725529 /nfs/dbraw/zinc/72/55/29/813725529.db2.gz VVLAIOBJHJTGGD-QAETUUGQSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001208171329 813725537 /nfs/dbraw/zinc/72/55/37/813725537.db2.gz VVLAIOBJHJTGGD-QAETUUGQSA-N 2 2 262.441 3.005 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670265 813791445 /nfs/dbraw/zinc/79/14/45/813791445.db2.gz WAEVPBVXGJVAJO-AEFFLSMTSA-N 2 2 286.463 3.380 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670265 813791450 /nfs/dbraw/zinc/79/14/50/813791450.db2.gz WAEVPBVXGJVAJO-AEFFLSMTSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670265 813791456 /nfs/dbraw/zinc/79/14/56/813791456.db2.gz WAEVPBVXGJVAJO-AEFFLSMTSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670265 813791461 /nfs/dbraw/zinc/79/14/61/813791461.db2.gz WAEVPBVXGJVAJO-AEFFLSMTSA-N 2 2 286.463 3.380 20 0 CGADLP CC(C)[N@H+](CCc1cccs1)C1CC[NH+](C)CC1 ZINC001209228964 813976009 /nfs/dbraw/zinc/97/60/09/813976009.db2.gz STBQDGXMEIICPF-UHFFFAOYSA-N 2 2 266.454 3.095 20 0 CGADLP CC(C)[N@@H+](CCc1cccs1)C1CC[NH+](C)CC1 ZINC001209228964 813976017 /nfs/dbraw/zinc/97/60/17/813976017.db2.gz STBQDGXMEIICPF-UHFFFAOYSA-N 2 2 266.454 3.095 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001209735221 814124288 /nfs/dbraw/zinc/12/42/88/814124288.db2.gz XOHWAPLTRNKQQW-KRWDZBQOSA-N 2 2 285.366 3.360 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001209735221 814124290 /nfs/dbraw/zinc/12/42/90/814124290.db2.gz XOHWAPLTRNKQQW-KRWDZBQOSA-N 2 2 285.366 3.360 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222198071 816373408 /nfs/dbraw/zinc/37/34/08/816373408.db2.gz UHKALZIVUQKFFU-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222198071 816373416 /nfs/dbraw/zinc/37/34/16/816373416.db2.gz UHKALZIVUQKFFU-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)s1 ZINC001222287626 816397638 /nfs/dbraw/zinc/39/76/38/816397638.db2.gz NXFXOYSMLVNQCD-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)s1 ZINC001222287626 816397642 /nfs/dbraw/zinc/39/76/42/816397642.db2.gz NXFXOYSMLVNQCD-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222346328 816415624 /nfs/dbraw/zinc/41/56/24/816415624.db2.gz QCKIJDYDIRBLKI-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222346328 816415627 /nfs/dbraw/zinc/41/56/27/816415627.db2.gz QCKIJDYDIRBLKI-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)ccc2n1 ZINC001222353708 816417807 /nfs/dbraw/zinc/41/78/07/816417807.db2.gz FRMBWCFNVJWSHE-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)ccc2n1 ZINC001222353708 816417811 /nfs/dbraw/zinc/41/78/11/816417811.db2.gz FRMBWCFNVJWSHE-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP c1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001222380079 816423857 /nfs/dbraw/zinc/42/38/57/816423857.db2.gz RJAFECNTMCRCIG-UHFFFAOYSA-N 2 2 278.399 3.149 20 0 CGADLP c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385566 816426670 /nfs/dbraw/zinc/42/66/70/816426670.db2.gz QIZOFLQILUGECO-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385566 816426672 /nfs/dbraw/zinc/42/66/72/816426672.db2.gz QIZOFLQILUGECO-SFHVURJKSA-N 2 2 283.419 3.276 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427232 816442171 /nfs/dbraw/zinc/44/21/71/816442171.db2.gz OSXXSVPJWICVPG-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427232 816442177 /nfs/dbraw/zinc/44/21/77/816442177.db2.gz OSXXSVPJWICVPG-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP FC1CC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233361645 818598349 /nfs/dbraw/zinc/59/83/49/818598349.db2.gz YQLVOWSLEUFYPM-UHFFFAOYSA-N 2 2 273.355 3.048 20 0 CGADLP Cc1c(Cl)ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1C ZINC001235112132 819006937 /nfs/dbraw/zinc/00/69/37/819006937.db2.gz VZQXWRONHXFYJQ-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111709 819007222 /nfs/dbraw/zinc/00/72/22/819007222.db2.gz SOESDBBOUOFPAI-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235111709 819007227 /nfs/dbraw/zinc/00/72/27/819007227.db2.gz SOESDBBOUOFPAI-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c2c(c1)CCCC2 ZINC001235117568 819010740 /nfs/dbraw/zinc/01/07/40/819010740.db2.gz JXUFUMQNDJKOPZ-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c2c(c1)CCCC2 ZINC001235117568 819010745 /nfs/dbraw/zinc/01/07/45/819010745.db2.gz JXUFUMQNDJKOPZ-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146274 819017017 /nfs/dbraw/zinc/01/70/17/819017017.db2.gz JUCLTGOLLICUEH-LPHOPBHVSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146274 819017026 /nfs/dbraw/zinc/01/70/26/819017026.db2.gz JUCLTGOLLICUEH-LPHOPBHVSA-N 2 2 278.399 3.195 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235157094 819019088 /nfs/dbraw/zinc/01/90/88/819019088.db2.gz LPEADDJRYMDXEE-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235157094 819019093 /nfs/dbraw/zinc/01/90/93/819019093.db2.gz LPEADDJRYMDXEE-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP COc1ccc(C)c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235177958 819025763 /nfs/dbraw/zinc/02/57/63/819025763.db2.gz SVKATPGYUJKFDP-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235177958 819025770 /nfs/dbraw/zinc/02/57/70/819025770.db2.gz SVKATPGYUJKFDP-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235190503 819029163 /nfs/dbraw/zinc/02/91/63/819029163.db2.gz KGPLZKQUGPFUPE-YPMHNXCESA-N 2 2 296.867 3.103 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235190503 819029170 /nfs/dbraw/zinc/02/91/70/819029170.db2.gz KGPLZKQUGPFUPE-YPMHNXCESA-N 2 2 296.867 3.103 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC001235254452 819051916 /nfs/dbraw/zinc/05/19/16/819051916.db2.gz IYAKWVONRNIHBA-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC001235254452 819051921 /nfs/dbraw/zinc/05/19/21/819051921.db2.gz IYAKWVONRNIHBA-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)ccc1-2 ZINC001235258951 819054039 /nfs/dbraw/zinc/05/40/39/819054039.db2.gz LMXMSBBYHGHHOH-XLIONFOSSA-N 2 2 290.410 3.052 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)ccc1-2 ZINC001235258951 819054043 /nfs/dbraw/zinc/05/40/43/819054043.db2.gz LMXMSBBYHGHHOH-XLIONFOSSA-N 2 2 290.410 3.052 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235343148 819074002 /nfs/dbraw/zinc/07/40/02/819074002.db2.gz STQUOHVTQMASQJ-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235343148 819074006 /nfs/dbraw/zinc/07/40/06/819074006.db2.gz STQUOHVTQMASQJ-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400543 819084549 /nfs/dbraw/zinc/08/45/49/819084549.db2.gz KFXCVBCWFSPLHD-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400543 819084554 /nfs/dbraw/zinc/08/45/54/819084554.db2.gz KFXCVBCWFSPLHD-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399648 819084563 /nfs/dbraw/zinc/08/45/63/819084563.db2.gz ALHUXUYKVRFVFJ-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399648 819084568 /nfs/dbraw/zinc/08/45/68/819084568.db2.gz ALHUXUYKVRFVFJ-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP c1ccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235440390 819099971 /nfs/dbraw/zinc/09/99/71/819099971.db2.gz HRUSJMZTOPXHRT-KRWDZBQOSA-N 2 2 258.409 3.008 20 0 CGADLP Fc1ccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235674795 819134719 /nfs/dbraw/zinc/13/47/19/819134719.db2.gz PCMSVCPOLASWQH-QGZVFWFLSA-N 2 2 276.399 3.147 20 0 CGADLP CC[N@H+](Cc1cc(F)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764909 819164005 /nfs/dbraw/zinc/16/40/05/819164005.db2.gz QEXDKCLLZZCLHY-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764909 819164011 /nfs/dbraw/zinc/16/40/11/819164011.db2.gz QEXDKCLLZZCLHY-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890653 819198877 /nfs/dbraw/zinc/19/88/77/819198877.db2.gz FRTXENKBXXMSKJ-DYVFJYSZSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890653 819198881 /nfs/dbraw/zinc/19/88/81/819198881.db2.gz FRTXENKBXXMSKJ-DYVFJYSZSA-N 2 2 258.409 3.266 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc(C)c1OC(C)C ZINC001235891269 819200126 /nfs/dbraw/zinc/20/01/26/819200126.db2.gz HQRXHESPZDUKSS-DOTOQJQBSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc(C)c1OC(C)C ZINC001235891269 819200132 /nfs/dbraw/zinc/20/01/32/819200132.db2.gz HQRXHESPZDUKSS-DOTOQJQBSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2s1 ZINC001235894020 819202945 /nfs/dbraw/zinc/20/29/45/819202945.db2.gz ZCMIYDVMQHWAIU-YPMHNXCESA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001235894020 819202951 /nfs/dbraw/zinc/20/29/51/819202951.db2.gz ZCMIYDVMQHWAIU-YPMHNXCESA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905565 819215730 /nfs/dbraw/zinc/21/57/30/819215730.db2.gz MOLMUHUPTCHYLJ-OCCSQVGLSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905565 819215732 /nfs/dbraw/zinc/21/57/32/819215732.db2.gz MOLMUHUPTCHYLJ-OCCSQVGLSA-N 2 2 272.367 3.291 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1Cl ZINC001235942018 819234660 /nfs/dbraw/zinc/23/46/60/819234660.db2.gz XODKEOPJEQLKRO-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1Cl ZINC001235942018 819234666 /nfs/dbraw/zinc/23/46/66/819234666.db2.gz XODKEOPJEQLKRO-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1cccc(Br)c1 ZINC001235961389 819249502 /nfs/dbraw/zinc/24/95/02/819249502.db2.gz BTUPVLVMXSNDCX-ZDUSSCGKSA-N 2 2 285.229 3.008 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1cccc(Br)c1 ZINC001235961389 819249507 /nfs/dbraw/zinc/24/95/07/819249507.db2.gz BTUPVLVMXSNDCX-ZDUSSCGKSA-N 2 2 285.229 3.008 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1cccc(Br)c1 ZINC001235961387 819249596 /nfs/dbraw/zinc/24/95/96/819249596.db2.gz BTUPVLVMXSNDCX-CYBMUJFWSA-N 2 2 285.229 3.008 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1cccc(Br)c1 ZINC001235961387 819249602 /nfs/dbraw/zinc/24/96/02/819249602.db2.gz BTUPVLVMXSNDCX-CYBMUJFWSA-N 2 2 285.229 3.008 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235984942 819259353 /nfs/dbraw/zinc/25/93/53/819259353.db2.gz ANHJUOVNJLOJCY-MAUKXSAKSA-N 2 2 288.435 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235984942 819259357 /nfs/dbraw/zinc/25/93/57/819259357.db2.gz ANHJUOVNJLOJCY-MAUKXSAKSA-N 2 2 288.435 3.050 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2C)[C@@H]1CCC[NH2+]C1 ZINC001236004543 819271155 /nfs/dbraw/zinc/27/11/55/819271155.db2.gz DVSKNKZEGIJNDZ-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2C)[C@@H]1CCC[NH2+]C1 ZINC001236004543 819271162 /nfs/dbraw/zinc/27/11/62/819271162.db2.gz DVSKNKZEGIJNDZ-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)s1 ZINC001236045262 819281840 /nfs/dbraw/zinc/28/18/40/819281840.db2.gz BNIYSNHRTADAJF-OLZOCXBDSA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)s1 ZINC001236045262 819281844 /nfs/dbraw/zinc/28/18/44/819281844.db2.gz BNIYSNHRTADAJF-OLZOCXBDSA-N 2 2 266.454 3.260 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046242 819284245 /nfs/dbraw/zinc/28/42/45/819284245.db2.gz FJVJWWRUBSBHJF-FZMZJTMJSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046242 819284251 /nfs/dbraw/zinc/28/42/51/819284251.db2.gz FJVJWWRUBSBHJF-FZMZJTMJSA-N 2 2 260.406 3.070 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059424 819292021 /nfs/dbraw/zinc/29/20/21/819292021.db2.gz HSDGLPLIFWAZSU-JSQNDZKTSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059424 819292027 /nfs/dbraw/zinc/29/20/27/819292027.db2.gz HSDGLPLIFWAZSU-JSQNDZKTSA-N 2 2 290.838 3.127 20 0 CGADLP CC[NH2+]CC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236190784 819362956 /nfs/dbraw/zinc/36/29/56/819362956.db2.gz XUBKEARGDZROPH-CQSZACIVSA-N 2 2 256.393 3.442 20 0 CGADLP CC[NH2+]CC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001236190784 819362966 /nfs/dbraw/zinc/36/29/66/819362966.db2.gz XUBKEARGDZROPH-CQSZACIVSA-N 2 2 256.393 3.442 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1CC ZINC001236205706 819368646 /nfs/dbraw/zinc/36/86/46/819368646.db2.gz GJEJEGNUUBKJBI-GOSISDBHSA-N 2 2 290.451 3.222 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1CC ZINC001236205706 819368651 /nfs/dbraw/zinc/36/86/51/819368651.db2.gz GJEJEGNUUBKJBI-GOSISDBHSA-N 2 2 290.451 3.222 20 0 CGADLP C[N@H+](Cc1ccccc1-n1cccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236208164 819369981 /nfs/dbraw/zinc/36/99/81/819369981.db2.gz SRCCJVQYORVYAX-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP C[N@@H+](Cc1ccccc1-n1cccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236208164 819369987 /nfs/dbraw/zinc/36/99/87/819369987.db2.gz SRCCJVQYORVYAX-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208176 819370064 /nfs/dbraw/zinc/37/00/64/819370064.db2.gz SSAFFUHIULDAEM-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208176 819370073 /nfs/dbraw/zinc/37/00/73/819370073.db2.gz SSAFFUHIULDAEM-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215195 819377383 /nfs/dbraw/zinc/37/73/83/819377383.db2.gz WSRGAXYCYUKCPN-HZPDHXFCSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215195 819377390 /nfs/dbraw/zinc/37/73/90/819377390.db2.gz WSRGAXYCYUKCPN-HZPDHXFCSA-N 2 2 276.424 3.176 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217616 819381881 /nfs/dbraw/zinc/38/18/81/819381881.db2.gz PKLKEJLOKQRIAS-UONOGXRCSA-N 2 2 282.815 3.050 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217616 819381884 /nfs/dbraw/zinc/38/18/84/819381884.db2.gz PKLKEJLOKQRIAS-UONOGXRCSA-N 2 2 282.815 3.050 20 0 CGADLP CC(C)Oc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC001236219243 819386428 /nfs/dbraw/zinc/38/64/28/819386428.db2.gz UYIMAUXWIGLLHO-HZPDHXFCSA-N 2 2 294.414 3.315 20 0 CGADLP CC(C)Oc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC001236219243 819386432 /nfs/dbraw/zinc/38/64/32/819386432.db2.gz UYIMAUXWIGLLHO-HZPDHXFCSA-N 2 2 294.414 3.315 20 0 CGADLP Cc1cc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236238488 819398898 /nfs/dbraw/zinc/39/88/98/819398898.db2.gz AAYVRTKWHNJTQJ-SFHVURJKSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236238488 819398905 /nfs/dbraw/zinc/39/89/05/819398905.db2.gz AAYVRTKWHNJTQJ-SFHVURJKSA-N 2 2 272.436 3.328 20 0 CGADLP Nc1ccc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])c[nH+]1 ZINC001236315946 819421749 /nfs/dbraw/zinc/42/17/49/819421749.db2.gz FIRINPRWXXZNOV-IRXDYDNUSA-N 2 2 297.402 3.117 20 0 CGADLP CCC[N@H+](Cc1cc(CC)c(O)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324896 819426560 /nfs/dbraw/zinc/42/65/60/819426560.db2.gz WJUVZRRZAZLQAP-QGZVFWFLSA-N 2 2 290.451 3.091 20 0 CGADLP CCC[N@@H+](Cc1cc(CC)c(O)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324896 819426565 /nfs/dbraw/zinc/42/65/65/819426565.db2.gz WJUVZRRZAZLQAP-QGZVFWFLSA-N 2 2 290.451 3.091 20 0 CGADLP CCC[N@H+](Cc1ccc2occc2c1)[C@H]1CC[NH2+]C1 ZINC001236324786 819427275 /nfs/dbraw/zinc/42/72/75/819427275.db2.gz ZTEQZRQTDWZCRC-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@@H+](Cc1ccc2occc2c1)[C@H]1CC[NH2+]C1 ZINC001236324786 819427278 /nfs/dbraw/zinc/42/72/78/819427278.db2.gz ZTEQZRQTDWZCRC-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP COCC[N@H+](CC[C@H](C)CCC=C(C)C)[C@H]1CC[NH2+]C1 ZINC001236336344 819428477 /nfs/dbraw/zinc/42/84/77/819428477.db2.gz XFWRYQBSEGAMSW-SJORKVTESA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)[C@H]1CC[NH2+]C1 ZINC001236336344 819428478 /nfs/dbraw/zinc/42/84/78/819428478.db2.gz XFWRYQBSEGAMSW-SJORKVTESA-N 2 2 282.472 3.069 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388545 819445711 /nfs/dbraw/zinc/44/57/11/819445711.db2.gz LYJOTJUHPWQMNH-FRFSOERESA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388545 819445716 /nfs/dbraw/zinc/44/57/16/819445716.db2.gz LYJOTJUHPWQMNH-FRFSOERESA-N 2 2 276.399 3.036 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236411687 819458114 /nfs/dbraw/zinc/45/81/14/819458114.db2.gz OGXAOZRLWRRWLR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236411687 819458118 /nfs/dbraw/zinc/45/81/18/819458118.db2.gz OGXAOZRLWRRWLR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC001236412099 819458881 /nfs/dbraw/zinc/45/88/81/819458881.db2.gz QRISHQUVKRXHMT-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC001236412099 819458884 /nfs/dbraw/zinc/45/88/84/819458884.db2.gz QRISHQUVKRXHMT-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421939 819468975 /nfs/dbraw/zinc/46/89/75/819468975.db2.gz UVDJVBPQQFUMHX-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421939 819468981 /nfs/dbraw/zinc/46/89/81/819468981.db2.gz UVDJVBPQQFUMHX-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236422431 819469623 /nfs/dbraw/zinc/46/96/23/819469623.db2.gz VYDOKMYAOQTCRO-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2sccc21 ZINC001236422431 819469626 /nfs/dbraw/zinc/46/96/26/819469626.db2.gz VYDOKMYAOQTCRO-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236423045 819470404 /nfs/dbraw/zinc/47/04/04/819470404.db2.gz YJCKFOLTASVZHE-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236423045 819470406 /nfs/dbraw/zinc/47/04/06/819470406.db2.gz YJCKFOLTASVZHE-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236469337 819490050 /nfs/dbraw/zinc/49/00/50/819490050.db2.gz WMSYDZSKCIQLIE-OAHLLOKOSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236469337 819490052 /nfs/dbraw/zinc/49/00/52/819490052.db2.gz WMSYDZSKCIQLIE-OAHLLOKOSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236470694 819491651 /nfs/dbraw/zinc/49/16/51/819491651.db2.gz LSHKZDCOSGXCFE-OAHLLOKOSA-N 2 2 289.398 3.269 20 0 CGADLP CC(C)[N@@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236470694 819491653 /nfs/dbraw/zinc/49/16/53/819491653.db2.gz LSHKZDCOSGXCFE-OAHLLOKOSA-N 2 2 289.398 3.269 20 0 CGADLP COc1cc(F)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477952 819495098 /nfs/dbraw/zinc/49/50/98/819495098.db2.gz VZHCOMSBCRTYTH-MRXNPFEDSA-N 2 2 294.414 3.044 20 0 CGADLP COc1cc(F)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477952 819495103 /nfs/dbraw/zinc/49/51/03/819495103.db2.gz VZHCOMSBCRTYTH-MRXNPFEDSA-N 2 2 294.414 3.044 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)ccc2n1 ZINC001236531009 819522485 /nfs/dbraw/zinc/52/24/85/819522485.db2.gz UXLUTOBFFVWCLT-QGZVFWFLSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)ccc2n1 ZINC001236531009 819522490 /nfs/dbraw/zinc/52/24/90/819522490.db2.gz UXLUTOBFFVWCLT-QGZVFWFLSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236829901 819610095 /nfs/dbraw/zinc/61/00/95/819610095.db2.gz LKFCTZHJLPUGBH-ZIBATOQPSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236829901 819610097 /nfs/dbraw/zinc/61/00/97/819610097.db2.gz LKFCTZHJLPUGBH-ZIBATOQPSA-N 2 2 299.245 3.471 20 0 CGADLP CCC[N@@H+](Cc1c(F)ccc(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236833814 819613875 /nfs/dbraw/zinc/61/38/75/819613875.db2.gz CNSOPEQJJCMLHH-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+](Cc1c(F)ccc(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236833814 819613876 /nfs/dbraw/zinc/61/38/76/819613876.db2.gz CNSOPEQJJCMLHH-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1CCc1ccccc1 ZINC001236909985 819636234 /nfs/dbraw/zinc/63/62/34/819636234.db2.gz YICOKNNWHJWISZ-INIZCTEOSA-N 2 2 282.431 3.251 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1CCc1ccccc1 ZINC001236909985 819636235 /nfs/dbraw/zinc/63/62/35/819636235.db2.gz YICOKNNWHJWISZ-INIZCTEOSA-N 2 2 282.431 3.251 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236907667 819637421 /nfs/dbraw/zinc/63/74/21/819637421.db2.gz DFWMXRUOBRCRKW-LBPRGKRZSA-N 2 2 289.810 3.181 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236907667 819637422 /nfs/dbraw/zinc/63/74/22/819637422.db2.gz DFWMXRUOBRCRKW-LBPRGKRZSA-N 2 2 289.810 3.181 20 0 CGADLP c1c2ccccc2[nH]c1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153781 819681059 /nfs/dbraw/zinc/68/10/59/819681059.db2.gz HPAIBIOIQBLZAG-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237153781 819681063 /nfs/dbraw/zinc/68/10/63/819681063.db2.gz HPAIBIOIQBLZAG-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP COc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001237153003 819681400 /nfs/dbraw/zinc/68/14/00/819681400.db2.gz AQBAKFUDVGWAAP-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001237153003 819681408 /nfs/dbraw/zinc/68/14/08/819681408.db2.gz AQBAKFUDVGWAAP-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185869 819691853 /nfs/dbraw/zinc/69/18/53/819691853.db2.gz SJEDWUYFRKSBEG-IEBWSBKVSA-N 2 2 280.415 3.317 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185869 819691856 /nfs/dbraw/zinc/69/18/56/819691856.db2.gz SJEDWUYFRKSBEG-IEBWSBKVSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185869 819691860 /nfs/dbraw/zinc/69/18/60/819691860.db2.gz SJEDWUYFRKSBEG-IEBWSBKVSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@H]21 ZINC001237185869 819691865 /nfs/dbraw/zinc/69/18/65/819691865.db2.gz SJEDWUYFRKSBEG-IEBWSBKVSA-N 2 2 280.415 3.317 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001237326449 819727180 /nfs/dbraw/zinc/72/71/80/819727180.db2.gz FOMSGXSEFJSBOK-UHFFFAOYSA-N 2 2 274.452 3.474 20 0 CGADLP CCc1cccc(C)c1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001237326449 819727184 /nfs/dbraw/zinc/72/71/84/819727184.db2.gz FOMSGXSEFJSBOK-UHFFFAOYSA-N 2 2 274.452 3.474 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C1CC1 ZINC001237417083 819748136 /nfs/dbraw/zinc/74/81/36/819748136.db2.gz SQHNDQQLVFQYGE-CRAIPNDOSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C1CC1 ZINC001237417083 819748142 /nfs/dbraw/zinc/74/81/42/819748142.db2.gz SQHNDQQLVFQYGE-CRAIPNDOSA-N 2 2 288.410 3.277 20 0 CGADLP C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc2c[nH+]cn21 ZINC001238120066 819938245 /nfs/dbraw/zinc/93/82/45/819938245.db2.gz TXFSEINKUFQXRE-UHFFFAOYSA-N 2 2 286.766 3.015 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc2c[nH+]cn21 ZINC001238120066 819938249 /nfs/dbraw/zinc/93/82/49/819938249.db2.gz TXFSEINKUFQXRE-UHFFFAOYSA-N 2 2 286.766 3.015 20 0 CGADLP CCOc1ccc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001238707746 820093896 /nfs/dbraw/zinc/09/38/96/820093896.db2.gz KEPQBYUHQHPNKT-UHFFFAOYSA-N 2 2 299.418 3.427 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001238762480 820110749 /nfs/dbraw/zinc/11/07/49/820110749.db2.gz GYJBYSKQCXLCET-UHFFFAOYSA-N 2 2 290.451 3.230 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001238762480 820110752 /nfs/dbraw/zinc/11/07/52/820110752.db2.gz GYJBYSKQCXLCET-UHFFFAOYSA-N 2 2 290.451 3.230 20 0 CGADLP CCc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001239588492 820436747 /nfs/dbraw/zinc/43/67/47/820436747.db2.gz DXJIIESWCCHTKK-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001239588492 820436752 /nfs/dbraw/zinc/43/67/52/820436752.db2.gz DXJIIESWCCHTKK-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP c1cn2cc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)ccc2[nH+]1 ZINC001240218956 820893609 /nfs/dbraw/zinc/89/36/09/820893609.db2.gz REOGEWGFOMOPLT-INIZCTEOSA-N 2 2 277.371 3.468 20 0 CGADLP c1cc2c[nH+]c(-c3ccc(C[NH+]4CCOCC4)cc3)cc2[nH]1 ZINC001240473867 821078822 /nfs/dbraw/zinc/07/88/22/821078822.db2.gz VRVPTLFOJOYOGP-UHFFFAOYSA-N 2 2 293.370 3.062 20 0 CGADLP Cc1ccc(F)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001240923469 821418299 /nfs/dbraw/zinc/41/82/99/821418299.db2.gz YHTRBFJPARVRNE-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001240923469 821418301 /nfs/dbraw/zinc/41/83/01/821418301.db2.gz YHTRBFJPARVRNE-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP C[NH+]1CCC(c2cccc(-c3cc[nH+]c(N)c3)c2)CC1 ZINC001241175642 821617306 /nfs/dbraw/zinc/61/73/06/821617306.db2.gz HZCRIANNVDIFJS-UHFFFAOYSA-N 2 2 267.376 3.140 20 0 CGADLP Nc1cc(-c2ccc3[nH]c4cc[nH+]cc4c3c2)cc[nH+]1 ZINC001241176074 821618577 /nfs/dbraw/zinc/61/85/77/821618577.db2.gz TYDQJIXSKHPXHA-UHFFFAOYSA-N 2 2 260.300 3.360 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241282281 821701708 /nfs/dbraw/zinc/70/17/08/821701708.db2.gz MNLYZUBYFFBCNM-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001241282281 821701715 /nfs/dbraw/zinc/70/17/15/821701715.db2.gz MNLYZUBYFFBCNM-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP CCc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241549637 821939910 /nfs/dbraw/zinc/93/99/10/821939910.db2.gz OMDILQQTZMAPFX-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241549637 821939920 /nfs/dbraw/zinc/93/99/20/821939920.db2.gz OMDILQQTZMAPFX-LJQANCHMSA-N 2 2 280.415 3.449 20 0 CGADLP CSc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001241636179 822014676 /nfs/dbraw/zinc/01/46/76/822014676.db2.gz BEZLXOQHLDBTQY-HNNXBMFYSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cn1 ZINC001241636179 822014684 /nfs/dbraw/zinc/01/46/84/822014684.db2.gz BEZLXOQHLDBTQY-HNNXBMFYSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1cc(-c2cccc(-n3cc[nH+]c3N)c2)cc(C)[nH+]1 ZINC001241994872 822263468 /nfs/dbraw/zinc/26/34/68/822263468.db2.gz LSZMBUKKBQEAEC-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3cc[nH]c32)C1 ZINC001242361637 822966938 /nfs/dbraw/zinc/96/69/38/822966938.db2.gz OWYCYGZTQGHJOG-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3cc[nH]c32)C1 ZINC001242361637 822966941 /nfs/dbraw/zinc/96/69/41/822966941.db2.gz OWYCYGZTQGHJOG-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP COc1ccccc1C1([NH2+]C[C@@H]([NH3+])CC(C)C)CCC1 ZINC001348511603 936924362 /nfs/dbraw/zinc/92/43/62/936924362.db2.gz RMZQVQMELIWKAQ-AWEZNQCLSA-N 2 2 276.424 3.037 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001349546184 936952036 /nfs/dbraw/zinc/95/20/36/936952036.db2.gz VQFRXWULARERAX-MQMHXKEQSA-N 2 2 298.390 3.341 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC001348655058 926755867 /nfs/dbraw/zinc/75/58/67/926755867.db2.gz QHBWOXDSFOILFY-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC001348655058 926755876 /nfs/dbraw/zinc/75/58/76/926755876.db2.gz QHBWOXDSFOILFY-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC(C)(C)c1ccccc1 ZINC001560360699 937212624 /nfs/dbraw/zinc/21/26/24/937212624.db2.gz WGSKPCFSLYVZID-OAHLLOKOSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC(C)(C)c1ccccc1 ZINC001560360699 937212626 /nfs/dbraw/zinc/21/26/26/937212626.db2.gz WGSKPCFSLYVZID-OAHLLOKOSA-N 2 2 260.425 3.038 20 0 CGADLP COc1cccc2[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)ccc21 ZINC001162452168 931989458 /nfs/dbraw/zinc/98/94/58/931989458.db2.gz BUJQZIDUXDOFIH-KGLIPLIRSA-N 2 2 299.418 3.291 20 0 CGADLP COc1cccc2[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)ccc21 ZINC001162452170 931990025 /nfs/dbraw/zinc/99/00/25/931990025.db2.gz BUJQZIDUXDOFIH-ZIAGYGMSSA-N 2 2 299.418 3.291 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000166652208 932007601 /nfs/dbraw/zinc/00/76/01/932007601.db2.gz ILZXIMMEFBIAAL-CYBMUJFWSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000166652208 932007607 /nfs/dbraw/zinc/00/76/07/932007607.db2.gz ILZXIMMEFBIAAL-CYBMUJFWSA-N 2 2 277.799 3.135 20 0 CGADLP Cc1cc(NCc2c[nH+]ccc2N(C)C)ccc1[NH+](C)C ZINC001461393764 937579012 /nfs/dbraw/zinc/57/90/12/937579012.db2.gz ZJRCOGYKIZDLJE-UHFFFAOYSA-N 2 2 284.407 3.134 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001461655764 937590696 /nfs/dbraw/zinc/59/06/96/937590696.db2.gz UTOOQCNJBSFQKM-ROUUACIJSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001461655764 937590697 /nfs/dbraw/zinc/59/06/97/937590697.db2.gz UTOOQCNJBSFQKM-ROUUACIJSA-N 2 2 272.436 3.008 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1CCC2 ZINC001461870349 937602870 /nfs/dbraw/zinc/60/28/70/937602870.db2.gz DJRKONVMCKHIPO-MSOLQXFVSA-N 2 2 284.447 3.234 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2c1CCC2 ZINC001461870349 937602873 /nfs/dbraw/zinc/60/28/73/937602873.db2.gz DJRKONVMCKHIPO-MSOLQXFVSA-N 2 2 284.447 3.234 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCC2 ZINC001461870349 937602876 /nfs/dbraw/zinc/60/28/76/937602876.db2.gz DJRKONVMCKHIPO-MSOLQXFVSA-N 2 2 284.447 3.234 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCC2 ZINC001461870349 937602879 /nfs/dbraw/zinc/60/28/79/937602879.db2.gz DJRKONVMCKHIPO-MSOLQXFVSA-N 2 2 284.447 3.234 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001308176561 933067008 /nfs/dbraw/zinc/06/70/08/933067008.db2.gz MCBWLHRLTMVYIL-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001308176561 933067011 /nfs/dbraw/zinc/06/70/11/933067011.db2.gz MCBWLHRLTMVYIL-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CC(c3ccccc3)C2)C1 ZINC001462649438 937656694 /nfs/dbraw/zinc/65/66/94/937656694.db2.gz BHUIIBKYUHJXKE-UHFFFAOYSA-N 2 2 272.436 3.254 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CC(c3ccccc3)C2)C1 ZINC001462649438 937656697 /nfs/dbraw/zinc/65/66/97/937656697.db2.gz BHUIIBKYUHJXKE-UHFFFAOYSA-N 2 2 272.436 3.254 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](CC)c2ccccc2)C1 ZINC001308475841 933115743 /nfs/dbraw/zinc/11/57/43/933115743.db2.gz WGBICBJWRGAGML-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](CC)c2ccccc2)C1 ZINC001308475841 933115746 /nfs/dbraw/zinc/11/57/46/933115746.db2.gz WGBICBJWRGAGML-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CCC2 ZINC001308866530 933193192 /nfs/dbraw/zinc/19/31/92/933193192.db2.gz UTOPZWDWNADTAC-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)CC(C)C ZINC001320248949 934019807 /nfs/dbraw/zinc/01/98/07/934019807.db2.gz VLKCGDRXXKLWDP-GFCCVEGCSA-N 2 2 286.379 3.196 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC001321423593 934183299 /nfs/dbraw/zinc/18/32/99/934183299.db2.gz BPACEJBHFXQXOQ-QGZVFWFLSA-N 2 2 294.483 3.284 20 0 CGADLP CCC(C)(C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001322175285 934256535 /nfs/dbraw/zinc/25/65/35/934256535.db2.gz QTXHUFRTYWIBLR-UHFFFAOYSA-N 2 2 286.379 3.341 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC001323703513 934417729 /nfs/dbraw/zinc/41/77/29/934417729.db2.gz NIBAFZZMDJDRCQ-KBPBESRZSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC001323703513 934417735 /nfs/dbraw/zinc/41/77/35/934417735.db2.gz NIBAFZZMDJDRCQ-KBPBESRZSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001327416166 935058484 /nfs/dbraw/zinc/05/84/84/935058484.db2.gz PJOBYJVUBUDPHF-SECBINFHSA-N 2 2 261.196 3.081 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001328394332 935133994 /nfs/dbraw/zinc/13/39/94/935133994.db2.gz NZKNMOBAKYXXIN-VVLHAWIVSA-N 2 2 287.451 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001328394332 935133996 /nfs/dbraw/zinc/13/39/96/935133996.db2.gz NZKNMOBAKYXXIN-VVLHAWIVSA-N 2 2 287.451 3.111 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC001328690155 935159474 /nfs/dbraw/zinc/15/94/74/935159474.db2.gz VQJIONPPYQYSOK-LBPRGKRZSA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC001328690155 935159479 /nfs/dbraw/zinc/15/94/79/935159479.db2.gz VQJIONPPYQYSOK-LBPRGKRZSA-N 2 2 284.806 3.442 20 0 CGADLP CC[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC001328789584 935169710 /nfs/dbraw/zinc/16/97/10/935169710.db2.gz SVHZRCHIUNDGCJ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP CC[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC001328789584 935169711 /nfs/dbraw/zinc/16/97/11/935169711.db2.gz SVHZRCHIUNDGCJ-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001329575031 935229346 /nfs/dbraw/zinc/22/93/46/935229346.db2.gz WPIBDXIIGNCGDD-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001329575031 935229349 /nfs/dbraw/zinc/22/93/49/935229349.db2.gz WPIBDXIIGNCGDD-RDJZCZTQSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cc(F)cc(NC2CC[NH+](CC(C)C)CC2)[nH+]1 ZINC001336970192 936230169 /nfs/dbraw/zinc/23/01/69/936230169.db2.gz ILOGKZLHQBXTQQ-UHFFFAOYSA-N 2 2 265.376 3.061 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001473935759 937831579 /nfs/dbraw/zinc/83/15/79/937831579.db2.gz OHTLZGYXKJZLHD-GASCZTMLSA-N 2 2 294.439 3.136 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001473935759 937831581 /nfs/dbraw/zinc/83/15/81/937831581.db2.gz OHTLZGYXKJZLHD-GASCZTMLSA-N 2 2 294.439 3.136 20 0 CGADLP CCCn1c[nH+]cc1CNc1[nH+]c(C)ccc1CC ZINC001474207347 937843986 /nfs/dbraw/zinc/84/39/86/937843986.db2.gz QRWKDAJBWNYUKU-UHFFFAOYSA-N 2 2 258.369 3.171 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323697 937851635 /nfs/dbraw/zinc/85/16/35/937851635.db2.gz SDIOKTWVKYKEIN-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323697 937851637 /nfs/dbraw/zinc/85/16/37/937851637.db2.gz SDIOKTWVKYKEIN-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(C)n1 ZINC001474323697 937851639 /nfs/dbraw/zinc/85/16/39/937851639.db2.gz SDIOKTWVKYKEIN-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)n1 ZINC001474323697 937851641 /nfs/dbraw/zinc/85/16/41/937851641.db2.gz SDIOKTWVKYKEIN-IEBWSBKVSA-N 2 2 299.462 3.147 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337790 938151460 /nfs/dbraw/zinc/15/14/60/938151460.db2.gz YDUKYIKSJSYZAT-ZIAGYGMSSA-N 2 2 263.429 3.282 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC001548337790 938151461 /nfs/dbraw/zinc/15/14/61/938151461.db2.gz YDUKYIKSJSYZAT-ZIAGYGMSSA-N 2 2 263.429 3.282 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001548900213 938153507 /nfs/dbraw/zinc/15/35/07/938153507.db2.gz GFZWVGKNTXIROL-KZNAEPCWSA-N 2 2 295.430 3.403 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001548900213 938153508 /nfs/dbraw/zinc/15/35/08/938153508.db2.gz GFZWVGKNTXIROL-KZNAEPCWSA-N 2 2 295.430 3.403 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117144 938155367 /nfs/dbraw/zinc/15/53/67/938155367.db2.gz QIBXQNPQUDBIFN-XNJGSVPQSA-N 2 2 291.439 3.094 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549117144 938155368 /nfs/dbraw/zinc/15/53/68/938155368.db2.gz QIBXQNPQUDBIFN-XNJGSVPQSA-N 2 2 291.439 3.094 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccncc1 ZINC001549336670 938156441 /nfs/dbraw/zinc/15/64/41/938156441.db2.gz KBRVYWOBULXGRY-GBESFXJTSA-N 2 2 295.430 3.268 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551378407 938180547 /nfs/dbraw/zinc/18/05/47/938180547.db2.gz PRJBJTYGNVIFRS-PEYYIBSZSA-N 2 2 272.417 3.332 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001551378946 938180770 /nfs/dbraw/zinc/18/07/70/938180770.db2.gz VJGBROLTEGHWHP-PAPYEOQZSA-N 2 2 298.352 3.322 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001552313485 938190974 /nfs/dbraw/zinc/19/09/74/938190974.db2.gz FJJPMYBFMNGVJG-RQJABVFESA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001552313485 938190975 /nfs/dbraw/zinc/19/09/75/938190975.db2.gz FJJPMYBFMNGVJG-RQJABVFESA-N 2 2 290.373 3.324 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)Cc1ccco1 ZINC001559815833 938236397 /nfs/dbraw/zinc/23/63/97/938236397.db2.gz BQWLJKRUVPPZFZ-ZACQAIPSSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)Cc1ccco1 ZINC001559815833 938236398 /nfs/dbraw/zinc/23/63/98/938236398.db2.gz BQWLJKRUVPPZFZ-ZACQAIPSSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001559815833 938236399 /nfs/dbraw/zinc/23/63/99/938236399.db2.gz BQWLJKRUVPPZFZ-ZACQAIPSSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001559815833 938236400 /nfs/dbraw/zinc/23/64/00/938236400.db2.gz BQWLJKRUVPPZFZ-ZACQAIPSSA-N 2 2 290.451 3.470 20 0 CGADLP CCCn1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(C)c1 ZINC001560501530 938260577 /nfs/dbraw/zinc/26/05/77/938260577.db2.gz KRMKTFAYTYBGKH-UHFFFAOYSA-N 2 2 286.423 3.275 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCC2(C)C)C1 ZINC001560942289 938285426 /nfs/dbraw/zinc/28/54/26/938285426.db2.gz LYEKVUNLNMRONN-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCC2(C)C)C1 ZINC001560942289 938285428 /nfs/dbraw/zinc/28/54/28/938285428.db2.gz LYEKVUNLNMRONN-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC001560960978 938286280 /nfs/dbraw/zinc/28/62/80/938286280.db2.gz HPGODAQDFNIXNQ-UZLBHIALSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC001560960978 938286281 /nfs/dbraw/zinc/28/62/81/938286281.db2.gz HPGODAQDFNIXNQ-UZLBHIALSA-N 2 2 298.474 3.398 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271487 960403768 /nfs/dbraw/zinc/40/37/68/960403768.db2.gz GMRDOJJPEFLLEN-QGZVFWFLSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222271487 960403777 /nfs/dbraw/zinc/40/37/77/960403777.db2.gz GMRDOJJPEFLLEN-QGZVFWFLSA-N 2 2 294.389 3.239 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccccc1-c1ccc(C)cc1C ZINC001578707994 960480948 /nfs/dbraw/zinc/48/09/48/960480948.db2.gz YWEFANLDHDXMHO-UHFFFAOYSA-N 2 2 268.404 3.279 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC001575615299 962394580 /nfs/dbraw/zinc/39/45/80/962394580.db2.gz RCGKJPKTKVMTNY-RLFYNMQTSA-N 2 2 290.451 3.198 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC001576912409 962495534 /nfs/dbraw/zinc/49/55/34/962495534.db2.gz BERCRQRCAXHCKO-WOSRLPQWSA-N 2 2 276.424 3.252 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc2ccccc21 ZINC001579153204 962609267 /nfs/dbraw/zinc/60/92/67/962609267.db2.gz SWKDPKVESPVSPT-INIZCTEOSA-N 2 2 284.403 3.080 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)oc1C ZINC000337385278 214043710 /nfs/dbraw/zinc/04/37/10/214043710.db2.gz HHYCIDIEDJBZEU-CYBMUJFWSA-N 2 2 276.424 3.421 20 0 CGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000095937456 185034008 /nfs/dbraw/zinc/03/40/08/185034008.db2.gz VQEIBUHSCRFCOI-HNNXBMFYSA-N 2 2 298.352 3.423 20 0 CGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000095937456 185034010 /nfs/dbraw/zinc/03/40/10/185034010.db2.gz VQEIBUHSCRFCOI-HNNXBMFYSA-N 2 2 298.352 3.423 20 0 CGADLP Cc1[nH+]cn(Cc2cccc(Cn3c[nH+]c(C)c3C)c2)c1C ZINC000125114191 187170284 /nfs/dbraw/zinc/17/02/84/187170284.db2.gz UEOYNEOOWVUXDM-UHFFFAOYSA-N 2 2 294.402 3.410 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777964 349585215 /nfs/dbraw/zinc/58/52/15/349585215.db2.gz JFWNQRYNBMILDM-JSGCOSHPSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777964 349585219 /nfs/dbraw/zinc/58/52/19/349585219.db2.gz JFWNQRYNBMILDM-JSGCOSHPSA-N 2 2 284.325 3.019 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783992 349586672 /nfs/dbraw/zinc/58/66/72/349586672.db2.gz IBXJWOXMILWJJW-AEFFLSMTSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783992 349586675 /nfs/dbraw/zinc/58/66/75/349586675.db2.gz IBXJWOXMILWJJW-AEFFLSMTSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2CC(C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000622044895 349623451 /nfs/dbraw/zinc/62/34/51/349623451.db2.gz WVBXWUIWDUXPMY-JOCCRWCTSA-N 2 2 288.435 3.124 20 0 CGADLP C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000337991513 214348898 /nfs/dbraw/zinc/34/88/98/214348898.db2.gz IFZMRYQDLNYKGB-BHYGNILZSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000337991513 214348900 /nfs/dbraw/zinc/34/89/00/214348900.db2.gz IFZMRYQDLNYKGB-BHYGNILZSA-N 2 2 262.441 3.172 20 0 CGADLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC)CC1)C1CCCCC1 ZINC000651910202 398304553 /nfs/dbraw/zinc/30/45/53/398304553.db2.gz LAGMCDYUXVIERC-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC)CC1)C1CCCCC1 ZINC000651910202 398304554 /nfs/dbraw/zinc/30/45/54/398304554.db2.gz LAGMCDYUXVIERC-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651910883 398305517 /nfs/dbraw/zinc/30/55/17/398305517.db2.gz PSBBFKACWYPVSM-DFEHZGFQSA-N 2 2 270.420 3.066 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651910883 398305518 /nfs/dbraw/zinc/30/55/18/398305518.db2.gz PSBBFKACWYPVSM-DFEHZGFQSA-N 2 2 270.420 3.066 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826024 529430912 /nfs/dbraw/zinc/43/09/12/529430912.db2.gz DRCXEHOZODKEHU-MSOLQXFVSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082437 346899553 /nfs/dbraw/zinc/89/95/53/346899553.db2.gz GMRXKNZBHVQFBZ-BBRMVZONSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082437 346899557 /nfs/dbraw/zinc/89/95/57/346899557.db2.gz GMRXKNZBHVQFBZ-BBRMVZONSA-N 2 2 273.355 3.420 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423461080 529568921 /nfs/dbraw/zinc/56/89/21/529568921.db2.gz JHPZANIHMVJXNP-TZMCWYRMSA-N 2 2 258.365 3.335 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCC1 ZINC000449155678 529589931 /nfs/dbraw/zinc/58/99/31/529589931.db2.gz PZSMNWKEJYFCAT-INIZCTEOSA-N 2 2 282.472 3.044 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000423513071 529611872 /nfs/dbraw/zinc/61/18/72/529611872.db2.gz UZZSVVDNFJSFPO-SGTLLEGYSA-N 2 2 298.434 3.006 20 0 CGADLP CCc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623089339 349759000 /nfs/dbraw/zinc/75/90/00/349759000.db2.gz CZJRPAJHJJCPSV-UHFFFAOYSA-N 2 2 296.405 3.316 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1C ZINC000414057490 529626694 /nfs/dbraw/zinc/62/66/94/529626694.db2.gz FZBZVZDFTALCSB-QGTPRVQTSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccco1 ZINC000423497365 529617188 /nfs/dbraw/zinc/61/71/88/529617188.db2.gz GVLFIRNEAHGACZ-SWLSCSKDSA-N 2 2 258.365 3.193 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623356509 349787275 /nfs/dbraw/zinc/78/72/75/349787275.db2.gz UWDNPDFODICMTO-VIFPVBQESA-N 2 2 289.326 3.142 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000423534333 529661904 /nfs/dbraw/zinc/66/19/04/529661904.db2.gz VNKCTOYEQMNAMS-GBESFXJTSA-N 2 2 280.415 3.483 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)o1 ZINC000423261293 529707532 /nfs/dbraw/zinc/70/75/32/529707532.db2.gz JLQCEOOTSUROAF-IUODEOHRSA-N 2 2 264.413 3.400 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868849 346943478 /nfs/dbraw/zinc/94/34/78/346943478.db2.gz GPKZRONDSQPPOD-ZIAGYGMSSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868849 346943481 /nfs/dbraw/zinc/94/34/81/346943481.db2.gz GPKZRONDSQPPOD-ZIAGYGMSSA-N 2 2 273.355 3.420 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000295007176 199296113 /nfs/dbraw/zinc/29/61/13/199296113.db2.gz LUZYTVNZBIJBCS-KRWDZBQOSA-N 2 2 299.418 3.119 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000295007176 199296114 /nfs/dbraw/zinc/29/61/14/199296114.db2.gz LUZYTVNZBIJBCS-KRWDZBQOSA-N 2 2 299.418 3.119 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@@H]2SC)[NH+](C)C)cc1 ZINC000425349217 529723698 /nfs/dbraw/zinc/72/36/98/529723698.db2.gz FEWHPBKKACWSSO-ULQDDVLXSA-N 2 2 292.492 3.335 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000423252578 529728828 /nfs/dbraw/zinc/72/88/28/529728828.db2.gz XRBMSEYWQSCIJZ-RISCZKNCSA-N 2 2 289.448 3.365 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@H]2c2ccccc2)n1C ZINC000425330419 529807783 /nfs/dbraw/zinc/80/77/83/529807783.db2.gz APPXSEWURFQKBZ-KRWDZBQOSA-N 2 2 298.434 3.213 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@H]2c2ccccc2)n1C ZINC000425330419 529807785 /nfs/dbraw/zinc/80/77/85/529807785.db2.gz APPXSEWURFQKBZ-KRWDZBQOSA-N 2 2 298.434 3.213 20 0 CGADLP Cc1cccc2[nH+]cc(CNc3[nH+]ccn3CC(C)C)n21 ZINC000351545205 219120120 /nfs/dbraw/zinc/12/01/20/219120120.db2.gz MANJXQIYAPWHME-UHFFFAOYSA-N 2 2 283.379 3.107 20 0 CGADLP Cc1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351550066 219122815 /nfs/dbraw/zinc/12/28/15/219122815.db2.gz HIDZRNMUWAWPNA-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000623867618 349900384 /nfs/dbraw/zinc/90/03/84/349900384.db2.gz GANJOJURRRPVDS-TZMCWYRMSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000623885838 349905153 /nfs/dbraw/zinc/90/51/53/349905153.db2.gz KDGJBIRBCGIKPZ-CYBMUJFWSA-N 2 2 290.436 3.389 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000623888773 349906472 /nfs/dbraw/zinc/90/64/72/349906472.db2.gz UFGGBVLXXXUBTI-ZIAGYGMSSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000623888773 349906477 /nfs/dbraw/zinc/90/64/77/349906477.db2.gz UFGGBVLXXXUBTI-ZIAGYGMSSA-N 2 2 281.469 3.223 20 0 CGADLP C[N@H+](Cc1cc[nH]n1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267213 529982097 /nfs/dbraw/zinc/98/20/97/529982097.db2.gz YSOAIBZADXMWOO-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267213 529982098 /nfs/dbraw/zinc/98/20/98/529982098.db2.gz YSOAIBZADXMWOO-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127288027 187294579 /nfs/dbraw/zinc/29/45/79/187294579.db2.gz DTALFNHQTLEUTB-HNNXBMFYSA-N 2 2 288.435 3.052 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671757 344965014 /nfs/dbraw/zinc/96/50/14/344965014.db2.gz NZFGYIUOLWYVQX-KLHDSHLOSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671757 344965015 /nfs/dbraw/zinc/96/50/15/344965015.db2.gz NZFGYIUOLWYVQX-KLHDSHLOSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037167297 344947956 /nfs/dbraw/zinc/94/79/56/344947956.db2.gz RUCZBBPVHGUGBN-GJZGRUSLSA-N 2 2 266.429 3.167 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318635 344949447 /nfs/dbraw/zinc/94/94/47/344949447.db2.gz UTAZKUHYKXWSEX-CQSZACIVSA-N 2 2 288.435 3.281 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)n1 ZINC000623959180 349928318 /nfs/dbraw/zinc/92/83/18/349928318.db2.gz JBOFWRWHJGFVJL-UONOGXRCSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000072965646 345424793 /nfs/dbraw/zinc/42/47/93/345424793.db2.gz RZJCXLJLAXBIKJ-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000072965646 345424796 /nfs/dbraw/zinc/42/47/96/345424796.db2.gz RZJCXLJLAXBIKJ-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072965646 345424801 /nfs/dbraw/zinc/42/48/01/345424801.db2.gz RZJCXLJLAXBIKJ-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072965646 345424804 /nfs/dbraw/zinc/42/48/04/345424804.db2.gz RZJCXLJLAXBIKJ-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C2CCCCC2)c[nH+]1 ZINC000075758143 345522268 /nfs/dbraw/zinc/52/22/68/345522268.db2.gz XCEAUSJTLNRGBV-UHFFFAOYSA-N 2 2 269.392 3.354 20 0 CGADLP Cc1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000075625729 345515846 /nfs/dbraw/zinc/51/58/46/345515846.db2.gz LAJIEOYKCBPQFX-UHFFFAOYSA-N 2 2 291.439 3.071 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152984289 232212713 /nfs/dbraw/zinc/21/27/13/232212713.db2.gz GWJJAZXWGKQMNK-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000152984289 232212715 /nfs/dbraw/zinc/21/27/15/232212715.db2.gz GWJJAZXWGKQMNK-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000084656393 345739068 /nfs/dbraw/zinc/73/90/68/345739068.db2.gz UYFZYVDMJLJWRJ-ZIAGYGMSSA-N 2 2 284.407 3.182 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000084650816 345739116 /nfs/dbraw/zinc/73/91/16/345739116.db2.gz FOIVUZZOIFHKGF-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1 ZINC000090046650 345778815 /nfs/dbraw/zinc/77/88/15/345778815.db2.gz ZARQDYMYBMKOEC-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000092794309 345858735 /nfs/dbraw/zinc/85/87/35/345858735.db2.gz DHKXPNSXGZGVTQ-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000092794309 345858740 /nfs/dbraw/zinc/85/87/40/345858740.db2.gz DHKXPNSXGZGVTQ-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091959677 345826043 /nfs/dbraw/zinc/82/60/43/345826043.db2.gz VFZKANHDTGDLEP-YPMHNXCESA-N 2 2 279.771 3.213 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000091959677 345826047 /nfs/dbraw/zinc/82/60/47/345826047.db2.gz VFZKANHDTGDLEP-YPMHNXCESA-N 2 2 279.771 3.213 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000093403195 345877707 /nfs/dbraw/zinc/87/77/07/345877707.db2.gz JYNZFVOECQXMDZ-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP CCc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683360 345884166 /nfs/dbraw/zinc/88/41/66/345884166.db2.gz PKHBZKPTRMHHCA-CQSZACIVSA-N 2 2 293.480 3.013 20 0 CGADLP CCc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683360 345884168 /nfs/dbraw/zinc/88/41/68/345884168.db2.gz PKHBZKPTRMHHCA-CQSZACIVSA-N 2 2 293.480 3.013 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258723 232315652 /nfs/dbraw/zinc/31/56/52/232315652.db2.gz YPWLAUVVHGTCDO-ZIAGYGMSSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258723 232315655 /nfs/dbraw/zinc/31/56/55/232315655.db2.gz YPWLAUVVHGTCDO-ZIAGYGMSSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258723 232315658 /nfs/dbraw/zinc/31/56/58/232315658.db2.gz YPWLAUVVHGTCDO-ZIAGYGMSSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258723 232315661 /nfs/dbraw/zinc/31/56/61/232315661.db2.gz YPWLAUVVHGTCDO-ZIAGYGMSSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124528168 346012831 /nfs/dbraw/zinc/01/28/31/346012831.db2.gz YJQYIQKOPLUPLB-ONGXEEELSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124528168 346012834 /nfs/dbraw/zinc/01/28/34/346012834.db2.gz YJQYIQKOPLUPLB-ONGXEEELSA-N 2 2 273.207 3.305 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000175903161 232326993 /nfs/dbraw/zinc/32/69/93/232326993.db2.gz OMNGWLFHZNMDCN-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000175903161 232326995 /nfs/dbraw/zinc/32/69/95/232326995.db2.gz OMNGWLFHZNMDCN-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3cc(C)ccc3o2)CC1 ZINC000152034211 346139836 /nfs/dbraw/zinc/13/98/36/346139836.db2.gz NZDFXPXQAWBWAT-UHFFFAOYSA-N 2 2 272.392 3.315 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000624006688 349943359 /nfs/dbraw/zinc/94/33/59/349943359.db2.gz CAQOSBZTNDKCIW-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000624006688 349943362 /nfs/dbraw/zinc/94/33/62/349943362.db2.gz CAQOSBZTNDKCIW-ZDUSSCGKSA-N 2 2 281.469 3.088 20 0 CGADLP CSCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237504524 346346376 /nfs/dbraw/zinc/34/63/76/346346376.db2.gz PRTUWEJCYYIFLB-UHFFFAOYSA-N 2 2 298.883 3.257 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250518331 346385883 /nfs/dbraw/zinc/38/58/83/346385883.db2.gz QMKQEKUYWBJVTM-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250518331 346385885 /nfs/dbraw/zinc/38/58/85/346385885.db2.gz QMKQEKUYWBJVTM-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250627172 346386308 /nfs/dbraw/zinc/38/63/08/346386308.db2.gz GLGQDIDZXJBEMW-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250627172 346386312 /nfs/dbraw/zinc/38/63/12/346386312.db2.gz GLGQDIDZXJBEMW-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253009913 346393158 /nfs/dbraw/zinc/39/31/58/346393158.db2.gz BEJDJMRMHCUSIG-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253009913 346393162 /nfs/dbraw/zinc/39/31/62/346393162.db2.gz BEJDJMRMHCUSIG-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP C[N@H+](CC[NH2+]Cc1ccc2cc[nH]c2c1)Cc1ccccc1 ZINC000386922071 346568520 /nfs/dbraw/zinc/56/85/20/346568520.db2.gz RQKMFEQSZIYFBI-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[N@@H+](CC[NH2+]Cc1ccc2cc[nH]c2c1)Cc1ccccc1 ZINC000386922071 346568522 /nfs/dbraw/zinc/56/85/22/346568522.db2.gz RQKMFEQSZIYFBI-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000584682252 346707578 /nfs/dbraw/zinc/70/75/78/346707578.db2.gz MCGIADIYZCGKSU-VDERGJSUSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000584682252 346707582 /nfs/dbraw/zinc/70/75/82/346707582.db2.gz MCGIADIYZCGKSU-VDERGJSUSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000584682252 346707584 /nfs/dbraw/zinc/70/75/84/346707584.db2.gz MCGIADIYZCGKSU-VDERGJSUSA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000584682252 346707587 /nfs/dbraw/zinc/70/75/87/346707587.db2.gz MCGIADIYZCGKSU-VDERGJSUSA-N 2 2 276.424 3.175 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cncs1 ZINC000128599936 187380150 /nfs/dbraw/zinc/38/01/50/187380150.db2.gz KIKCIMXXWAMOAU-NSHDSACASA-N 2 2 286.404 3.152 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862854 219229611 /nfs/dbraw/zinc/22/96/11/219229611.db2.gz RHHQIDTYHAZCPV-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862854 219229612 /nfs/dbraw/zinc/22/96/12/219229612.db2.gz RHHQIDTYHAZCPV-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000624121742 349979974 /nfs/dbraw/zinc/97/99/74/349979974.db2.gz CEOSLLHTOXVPRO-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624121742 349979976 /nfs/dbraw/zinc/97/99/76/349979976.db2.gz CEOSLLHTOXVPRO-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C\c1ccccc1)CCC2 ZINC000607956994 348276086 /nfs/dbraw/zinc/27/60/86/348276086.db2.gz IUSFXVBPHAWFIH-OOYWPUHTSA-N 2 2 281.403 3.372 20 0 CGADLP c1cn([C@@H]2CCCN(c3cc[nH+]c4ccsc43)C2)c[nH+]1 ZINC000608082869 348283326 /nfs/dbraw/zinc/28/33/26/348283326.db2.gz NYXOVMLOUDDDHQ-GFCCVEGCSA-N 2 2 284.388 3.334 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379012 192132151 /nfs/dbraw/zinc/13/21/51/192132151.db2.gz MPPQJFYZOCWRNX-GDBMZVCRSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000273379012 192132152 /nfs/dbraw/zinc/13/21/52/192132152.db2.gz MPPQJFYZOCWRNX-GDBMZVCRSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000624188854 349996475 /nfs/dbraw/zinc/99/64/75/349996475.db2.gz IJRDLIVQIDQCPU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCCC1 ZINC000624188854 349996479 /nfs/dbraw/zinc/99/64/79/349996479.db2.gz IJRDLIVQIDQCPU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090172 233056234 /nfs/dbraw/zinc/05/62/34/233056234.db2.gz VTEBQBLAUPAAQI-JFGNBEQYSA-N 2 2 286.341 3.237 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090172 233056237 /nfs/dbraw/zinc/05/62/37/233056237.db2.gz VTEBQBLAUPAAQI-JFGNBEQYSA-N 2 2 286.341 3.237 20 0 CGADLP CC(C)C1([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000339509008 215219511 /nfs/dbraw/zinc/21/95/11/215219511.db2.gz WVRJSCUAUOKGCV-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000271281623 191049275 /nfs/dbraw/zinc/04/92/75/191049275.db2.gz PLKSKZPPQFAQCQ-YOEHRIQHSA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000271281623 191049278 /nfs/dbraw/zinc/04/92/78/191049278.db2.gz PLKSKZPPQFAQCQ-YOEHRIQHSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628201990 350437986 /nfs/dbraw/zinc/43/79/86/350437986.db2.gz CWFVHMAHTZFKHA-GFCCVEGCSA-N 2 2 297.324 3.123 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnc(C3CC3)o2)c[nH+]1 ZINC000628209071 350440075 /nfs/dbraw/zinc/44/00/75/350440075.db2.gz NTSSLOCNUBABBL-UHFFFAOYSA-N 2 2 294.358 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419532 350532285 /nfs/dbraw/zinc/53/22/85/350532285.db2.gz PLTAIOLOKXKKFL-IUODEOHRSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419532 350532287 /nfs/dbraw/zinc/53/22/87/350532287.db2.gz PLTAIOLOKXKKFL-IUODEOHRSA-N 2 2 286.410 3.417 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000629525774 350702212 /nfs/dbraw/zinc/70/22/12/350702212.db2.gz BITGPLIOVGENRK-MELADBBJSA-N 2 2 280.412 3.093 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000629527441 350703000 /nfs/dbraw/zinc/70/30/00/350703000.db2.gz VTGZNJMHXFBBMU-SOUVJXGZSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535129 350704626 /nfs/dbraw/zinc/70/46/26/350704626.db2.gz BPXOKQGUFLPKPI-NYTXWWLZSA-N 2 2 258.409 3.273 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC000629537548 350705730 /nfs/dbraw/zinc/70/57/30/350705730.db2.gz JVCQOGKSNXXCPY-XOKHGSTOSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C[NH2+]1 ZINC000629542165 350707426 /nfs/dbraw/zinc/70/74/26/350707426.db2.gz ZOSAHLJEPOKSPF-RIEGTJTDSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000629545660 350709385 /nfs/dbraw/zinc/70/93/85/350709385.db2.gz NXGPUYZRPLTTDC-GDZNZVCISA-N 2 2 254.377 3.241 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629545011 350709539 /nfs/dbraw/zinc/70/95/39/350709539.db2.gz OZTCYEWCZGBFMU-NILFDRSVSA-N 2 2 266.816 3.377 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629544877 350709579 /nfs/dbraw/zinc/70/95/79/350709579.db2.gz FQSLHQFMKPXJFP-ZLKJLUDKSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000629547742 350710001 /nfs/dbraw/zinc/71/00/01/350710001.db2.gz KFIGXRQDJGMEPA-ZWKOPEQDSA-N 2 2 282.840 3.217 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585225 350714549 /nfs/dbraw/zinc/71/45/49/350714549.db2.gz NREWWIKEMDESKF-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585225 350714551 /nfs/dbraw/zinc/71/45/51/350714551.db2.gz NREWWIKEMDESKF-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000629407229 350689101 /nfs/dbraw/zinc/68/91/01/350689101.db2.gz XRCPYNDIFXAXCK-KBXCAEBGSA-N 2 2 282.387 3.319 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000629407831 350689567 /nfs/dbraw/zinc/68/95/67/350689567.db2.gz LYMKDFHXYVJPFP-XHDPSFHLSA-N 2 2 290.407 3.394 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629415431 350690926 /nfs/dbraw/zinc/69/09/26/350690926.db2.gz QHGWORPQTLIPRR-GOEBONIOSA-N 2 2 276.424 3.096 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629520380 350700687 /nfs/dbraw/zinc/70/06/87/350700687.db2.gz LARLROBODSVMGU-ZFWWWQNUSA-N 2 2 274.433 3.098 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000629654839 350731363 /nfs/dbraw/zinc/73/13/63/350731363.db2.gz RYTNPDWCEKRIAQ-UONOGXRCSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1[nH+]cc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)n1C ZINC000630050008 350800429 /nfs/dbraw/zinc/80/04/29/350800429.db2.gz AZANPVWCKQCJMV-ZDUSSCGKSA-N 2 2 269.392 3.380 20 0 CGADLP Cc1[nH+]cc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)n1C ZINC000630050008 350800432 /nfs/dbraw/zinc/80/04/32/350800432.db2.gz AZANPVWCKQCJMV-ZDUSSCGKSA-N 2 2 269.392 3.380 20 0 CGADLP Cc1scc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1C ZINC000631129449 350964407 /nfs/dbraw/zinc/96/44/07/350964407.db2.gz BUTFXKASMALIOZ-UHFFFAOYSA-N 2 2 275.421 3.188 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)n2c1 ZINC000631256406 351008962 /nfs/dbraw/zinc/00/89/62/351008962.db2.gz UPMRGAUBFFNWNT-FUHWJXTLSA-N 2 2 299.418 3.080 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000631576940 351074377 /nfs/dbraw/zinc/07/43/77/351074377.db2.gz DTJGLNWNSLTGSR-HOCLYGCPSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000631576940 351074380 /nfs/dbraw/zinc/07/43/80/351074380.db2.gz DTJGLNWNSLTGSR-HOCLYGCPSA-N 2 2 297.446 3.315 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631587524 351080533 /nfs/dbraw/zinc/08/05/33/351080533.db2.gz SJZRYTVQYBRNOT-MRXNPFEDSA-N 2 2 275.440 3.305 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000631602786 351087225 /nfs/dbraw/zinc/08/72/25/351087225.db2.gz OGQMQVGAYLBRJR-SFHVURJKSA-N 2 2 282.387 3.218 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)ccn1 ZINC000631621884 351093343 /nfs/dbraw/zinc/09/33/43/351093343.db2.gz NGVDAIYLIHKUSP-GJZGRUSLSA-N 2 2 284.407 3.032 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867721 351151214 /nfs/dbraw/zinc/15/12/14/351151214.db2.gz GUDBVWYTQMMMAO-PBHICJAKSA-N 2 2 299.443 3.042 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000631887276 351152052 /nfs/dbraw/zinc/15/20/52/351152052.db2.gz QAUYMQGFSFMYQP-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000631887276 351152057 /nfs/dbraw/zinc/15/20/57/351152057.db2.gz QAUYMQGFSFMYQP-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890702 351152715 /nfs/dbraw/zinc/15/27/15/351152715.db2.gz SICYKZVUGVNMGO-YJBOKZPZSA-N 2 2 287.451 3.087 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890702 351152718 /nfs/dbraw/zinc/15/27/18/351152718.db2.gz SICYKZVUGVNMGO-YJBOKZPZSA-N 2 2 287.451 3.087 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000271432998 191136012 /nfs/dbraw/zinc/13/60/12/191136012.db2.gz DILRQHQBAKGHQB-QGZVFWFLSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678925 351565012 /nfs/dbraw/zinc/56/50/12/351565012.db2.gz HGUZAJJLFFDABE-SJORKVTESA-N 2 2 290.451 3.145 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634996269 351620556 /nfs/dbraw/zinc/62/05/56/351620556.db2.gz FBNUQBNLIKGEPG-UHFFFAOYSA-N 2 2 296.336 3.036 20 0 CGADLP FC1(F)CCC12C[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000336501229 213375710 /nfs/dbraw/zinc/37/57/10/213375710.db2.gz OASONLHKGQPUFU-UHFFFAOYSA-N 2 2 289.329 3.103 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000122282435 187024702 /nfs/dbraw/zinc/02/47/02/187024702.db2.gz HCBBLCLURITFSC-RISCZKNCSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000122282435 187024703 /nfs/dbraw/zinc/02/47/03/187024703.db2.gz HCBBLCLURITFSC-RISCZKNCSA-N 2 2 264.800 3.055 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000271470703 191157196 /nfs/dbraw/zinc/15/71/96/191157196.db2.gz HITYNTAPSZENAH-RDTXWAMCSA-N 2 2 287.451 3.385 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000152621999 188032716 /nfs/dbraw/zinc/03/27/16/188032716.db2.gz QFLNNTHCTVQVPS-ZIAGYGMSSA-N 2 2 278.440 3.117 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCSc3ccccc31)C2 ZINC000368104694 234284052 /nfs/dbraw/zinc/28/40/52/234284052.db2.gz IRZFREXAFDYKBW-AAEUAGOBSA-N 2 2 285.416 3.094 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000368104694 234284055 /nfs/dbraw/zinc/28/40/55/234284055.db2.gz IRZFREXAFDYKBW-AAEUAGOBSA-N 2 2 285.416 3.094 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000368575222 234323024 /nfs/dbraw/zinc/32/30/24/234323024.db2.gz ITUXSUDTVUKJFW-LJQANCHMSA-N 2 2 296.414 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000368575222 234323027 /nfs/dbraw/zinc/32/30/27/234323027.db2.gz ITUXSUDTVUKJFW-LJQANCHMSA-N 2 2 296.414 3.396 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000154582914 188151396 /nfs/dbraw/zinc/15/13/96/188151396.db2.gz XNFJRUWHVSWRHZ-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000154582914 188151398 /nfs/dbraw/zinc/15/13/98/188151398.db2.gz XNFJRUWHVSWRHZ-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CC[N@@H+]1C ZINC000157709710 188333856 /nfs/dbraw/zinc/33/38/56/188333856.db2.gz XCXHRCDHKAUMTF-JSGCOSHPSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CC[N@H+]1C ZINC000157709710 188333857 /nfs/dbraw/zinc/33/38/57/188333857.db2.gz XCXHRCDHKAUMTF-JSGCOSHPSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000158532203 188380832 /nfs/dbraw/zinc/38/08/32/188380832.db2.gz NOCVVFDRPIJJER-GJYPPUQNSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccnc1 ZINC000158532203 188380833 /nfs/dbraw/zinc/38/08/33/188380833.db2.gz NOCVVFDRPIJJER-GJYPPUQNSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555316 188381799 /nfs/dbraw/zinc/38/17/99/188381799.db2.gz MNJBYZJHIOZQNL-MRXNPFEDSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555316 188381800 /nfs/dbraw/zinc/38/18/00/188381800.db2.gz MNJBYZJHIOZQNL-MRXNPFEDSA-N 2 2 295.430 3.181 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]C3CCOCC3)cc2)c1C ZINC000336399456 213257761 /nfs/dbraw/zinc/25/77/61/213257761.db2.gz VLTKEYXJDNVLLQ-UHFFFAOYSA-N 2 2 271.364 3.080 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759392 191310262 /nfs/dbraw/zinc/31/02/62/191310262.db2.gz YEOMCPTZIZJAPF-ZBFHGGJFSA-N 2 2 299.418 3.401 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759392 191310264 /nfs/dbraw/zinc/31/02/64/191310264.db2.gz YEOMCPTZIZJAPF-ZBFHGGJFSA-N 2 2 299.418 3.401 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397575 235053677 /nfs/dbraw/zinc/05/36/77/235053677.db2.gz ZAYXUPDMMNIYTR-KBMXLJTQSA-N 2 2 285.366 3.284 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000411397575 235053680 /nfs/dbraw/zinc/05/36/80/235053680.db2.gz ZAYXUPDMMNIYTR-KBMXLJTQSA-N 2 2 285.366 3.284 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000057998267 137926973 /nfs/dbraw/zinc/92/69/73/137926973.db2.gz DVYFAWMWOVXFSR-UHFFFAOYSA-N 2 2 270.376 3.034 20 0 CGADLP Cc1cc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000271887860 191391114 /nfs/dbraw/zinc/39/11/14/191391114.db2.gz VEIQWINUMSVDIF-KRWDZBQOSA-N 2 2 287.382 3.462 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494891824 297282977 /nfs/dbraw/zinc/28/29/77/297282977.db2.gz KTRWNZDFLLEVDS-RVKKMQEKSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494891824 297282979 /nfs/dbraw/zinc/28/29/79/297282979.db2.gz KTRWNZDFLLEVDS-RVKKMQEKSA-N 2 2 286.463 3.457 20 0 CGADLP Cc1[nH+]cccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000091495966 138344391 /nfs/dbraw/zinc/34/43/91/138344391.db2.gz IOOHLCITXUNEJU-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1[nH+]cccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000091495966 138344392 /nfs/dbraw/zinc/34/43/92/138344392.db2.gz IOOHLCITXUNEJU-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP C[C@H](C[NH2+][C@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000091311413 138343656 /nfs/dbraw/zinc/34/36/56/138343656.db2.gz VQULTJPJDIQDDM-ZIAGYGMSSA-N 2 2 291.826 3.393 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000097829711 138349005 /nfs/dbraw/zinc/34/90/05/138349005.db2.gz MQYFJSKAZSTKLU-UHFFFAOYSA-N 2 2 293.292 3.316 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1F ZINC000124968951 138379102 /nfs/dbraw/zinc/37/91/02/138379102.db2.gz YXQGYNOXZFJHTK-UHFFFAOYSA-N 2 2 264.388 3.134 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1F ZINC000124968951 138379103 /nfs/dbraw/zinc/37/91/03/138379103.db2.gz YXQGYNOXZFJHTK-UHFFFAOYSA-N 2 2 264.388 3.134 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124959180 138379270 /nfs/dbraw/zinc/37/92/70/138379270.db2.gz YWVRTDKAKXVOBP-KGLIPLIRSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124959180 138379271 /nfs/dbraw/zinc/37/92/71/138379271.db2.gz YWVRTDKAKXVOBP-KGLIPLIRSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124959180 138379272 /nfs/dbraw/zinc/37/92/72/138379272.db2.gz YWVRTDKAKXVOBP-KGLIPLIRSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124959180 138379273 /nfs/dbraw/zinc/37/92/73/138379273.db2.gz YWVRTDKAKXVOBP-KGLIPLIRSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000125346500 138381709 /nfs/dbraw/zinc/38/17/09/138381709.db2.gz SVHCJPJWOVWZEZ-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000125346500 138381711 /nfs/dbraw/zinc/38/17/11/138381711.db2.gz SVHCJPJWOVWZEZ-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)[N@H+](C)C1CC1 ZINC000127492259 138389424 /nfs/dbraw/zinc/38/94/24/138389424.db2.gz PDBNRBNTRHQGOZ-HSBZDZAISA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)[N@@H+](C)C1CC1 ZINC000127492259 138389425 /nfs/dbraw/zinc/38/94/25/138389425.db2.gz PDBNRBNTRHQGOZ-HSBZDZAISA-N 2 2 276.399 3.144 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423233587 236004576 /nfs/dbraw/zinc/00/45/76/236004576.db2.gz DTSBVXDGYLNVRC-IRXDYDNUSA-N 2 2 282.387 3.059 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000423236042 236005138 /nfs/dbraw/zinc/00/51/38/236005138.db2.gz HEFHHUZWCRVKSO-OCCSQVGLSA-N 2 2 260.406 3.407 20 0 CGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423243098 236007360 /nfs/dbraw/zinc/00/73/60/236007360.db2.gz MSAVTTKSSABDEG-RHSMWYFYSA-N 2 2 298.434 3.259 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc2cc1C ZINC000423279602 236021024 /nfs/dbraw/zinc/02/10/24/236021024.db2.gz RPXBQGKFZMWZSH-IUODEOHRSA-N 2 2 272.392 3.438 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423389416 236059729 /nfs/dbraw/zinc/05/97/29/236059729.db2.gz NKIIMYDDGQNUQA-UAGQMJEPSA-N 2 2 290.451 3.130 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)o1 ZINC000423391409 236061272 /nfs/dbraw/zinc/06/12/72/236061272.db2.gz PJEOKKWHLDCYJF-OCCSQVGLSA-N 2 2 250.386 3.017 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)s1 ZINC000423355452 236048069 /nfs/dbraw/zinc/04/80/69/236048069.db2.gz FNVPVLQTXIEIHK-GUBZILKMSA-N 2 2 258.818 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423367131 236051941 /nfs/dbraw/zinc/05/19/41/236051941.db2.gz QUZYIOKINVOZPM-DOXZYTNZSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423379964 236056921 /nfs/dbraw/zinc/05/69/21/236056921.db2.gz YHKSJRPJABRCNO-QWRGUYRKSA-N 2 2 294.345 3.439 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000423442322 236072095 /nfs/dbraw/zinc/07/20/95/236072095.db2.gz JWKDDURZAOSVMN-PMUMKWKESA-N 2 2 284.403 3.110 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423451089 236074030 /nfs/dbraw/zinc/07/40/30/236074030.db2.gz UTCQGPKHSMGRFP-BBBLOLIVSA-N 2 2 269.458 3.135 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000424311040 236145976 /nfs/dbraw/zinc/14/59/76/236145976.db2.gz KGDFEFZNEDXNLF-AVGNSLFASA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000424311040 236145978 /nfs/dbraw/zinc/14/59/78/236145978.db2.gz KGDFEFZNEDXNLF-AVGNSLFASA-N 2 2 296.842 3.482 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000424339491 236153675 /nfs/dbraw/zinc/15/36/75/236153675.db2.gz WLQZHACBUMBXHW-HUUCEWRRSA-N 2 2 287.432 3.170 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+](C)C ZINC000425935470 236274536 /nfs/dbraw/zinc/27/45/36/236274536.db2.gz DITHFDMKXDZHRL-BDAKNGLRSA-N 2 2 295.374 3.010 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427850822 236349223 /nfs/dbraw/zinc/34/92/23/236349223.db2.gz BMSLDTOHEYYHFC-SQNIBIBYSA-N 2 2 295.430 3.432 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000428239141 236383166 /nfs/dbraw/zinc/38/31/66/236383166.db2.gz PPCNKRJEAHXVNN-GXTWGEPZSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000428239141 236383169 /nfs/dbraw/zinc/38/31/69/236383169.db2.gz PPCNKRJEAHXVNN-GXTWGEPZSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000428239141 236383171 /nfs/dbraw/zinc/38/31/71/236383171.db2.gz PPCNKRJEAHXVNN-GXTWGEPZSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000428239141 236383175 /nfs/dbraw/zinc/38/31/75/236383175.db2.gz PPCNKRJEAHXVNN-GXTWGEPZSA-N 2 2 279.428 3.021 20 0 CGADLP CCc1ccc2[nH+]ccc(NCc3[nH+]ccn3C)c2c1 ZINC000297236484 200122723 /nfs/dbraw/zinc/12/27/23/200122723.db2.gz UJABMMCASFPQEY-UHFFFAOYSA-N 2 2 266.348 3.143 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CCCCOc1ccccc1 ZINC000437759218 237341293 /nfs/dbraw/zinc/34/12/93/237341293.db2.gz NQANLWVAADZJHB-UHFFFAOYSA-N 2 2 284.403 3.381 20 0 CGADLP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000297545510 200224035 /nfs/dbraw/zinc/22/40/35/200224035.db2.gz YXUBZSYQMZYZSX-CZIWCDLHSA-N 2 2 288.410 3.288 20 0 CGADLP C[C@@H](C1CC1)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177022100 189021138 /nfs/dbraw/zinc/02/11/38/189021138.db2.gz GHVXPWLBPBQUOQ-ZDUSSCGKSA-N 2 2 282.391 3.030 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177022100 189021139 /nfs/dbraw/zinc/02/11/39/189021139.db2.gz GHVXPWLBPBQUOQ-ZDUSSCGKSA-N 2 2 282.391 3.030 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OCC2CC2)c(F)c1 ZINC000177124920 189030484 /nfs/dbraw/zinc/03/04/84/189030484.db2.gz HKPAAQNGVKSIPP-LLVKDONJSA-N 2 2 289.354 3.188 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000341966912 216171653 /nfs/dbraw/zinc/17/16/53/216171653.db2.gz ILTJULLIAIURII-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000341966912 216171656 /nfs/dbraw/zinc/17/16/56/216171656.db2.gz ILTJULLIAIURII-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP CC(C)c1ccc[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000341983236 216177594 /nfs/dbraw/zinc/17/75/94/216177594.db2.gz LMNFVWBAZAYHQS-UHFFFAOYSA-N 2 2 266.348 3.465 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccc(OC)cc1 ZINC000423390890 283561745 /nfs/dbraw/zinc/56/17/45/283561745.db2.gz WLASCKMGBUACJJ-CZUORRHYSA-N 2 2 264.413 3.124 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC000178254793 189100883 /nfs/dbraw/zinc/10/08/83/189100883.db2.gz GSUAZFURWFTRFZ-LBPRGKRZSA-N 2 2 293.842 3.260 20 0 CGADLP Cc1cccn2c(C[NH2+]CCC3(F)CCC3)c[nH+]c12 ZINC000342197796 216256142 /nfs/dbraw/zinc/25/61/42/216256142.db2.gz IGNZBXTWQXWDDP-UHFFFAOYSA-N 2 2 261.344 3.015 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733489 189272569 /nfs/dbraw/zinc/27/25/69/189272569.db2.gz NMZWVZBITQIURE-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733489 189272570 /nfs/dbraw/zinc/27/25/70/189272570.db2.gz NMZWVZBITQIURE-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733489 189272571 /nfs/dbraw/zinc/27/25/71/189272571.db2.gz NMZWVZBITQIURE-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733489 189272572 /nfs/dbraw/zinc/27/25/72/189272572.db2.gz NMZWVZBITQIURE-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000181663580 189303950 /nfs/dbraw/zinc/30/39/50/189303950.db2.gz KZOYEGUBGGMABS-HNNXBMFYSA-N 2 2 279.334 3.292 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301567923 201074202 /nfs/dbraw/zinc/07/42/02/201074202.db2.gz WVWIOGCLQKXIOT-RDJZCZTQSA-N 2 2 296.418 3.250 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000301567923 201074204 /nfs/dbraw/zinc/07/42/04/201074204.db2.gz WVWIOGCLQKXIOT-RDJZCZTQSA-N 2 2 296.418 3.250 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182614619 189329161 /nfs/dbraw/zinc/32/91/61/189329161.db2.gz OFGGCLJEWBCKDV-QGZVFWFLSA-N 2 2 285.391 3.119 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182614619 189329162 /nfs/dbraw/zinc/32/91/62/189329162.db2.gz OFGGCLJEWBCKDV-QGZVFWFLSA-N 2 2 285.391 3.119 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000301660081 201120746 /nfs/dbraw/zinc/12/07/46/201120746.db2.gz WZGCRWUBOFXZNU-HNNXBMFYSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183164141 189348728 /nfs/dbraw/zinc/34/87/28/189348728.db2.gz QIJGTQZXXQSHKY-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183164141 189348729 /nfs/dbraw/zinc/34/87/29/189348729.db2.gz QIJGTQZXXQSHKY-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183164493 189348783 /nfs/dbraw/zinc/34/87/83/189348783.db2.gz DLJURKZJSISBCR-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183164493 189348784 /nfs/dbraw/zinc/34/87/84/189348784.db2.gz DLJURKZJSISBCR-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP c1[nH]c(C[NH2+]C2(Cc3ccccc3)CCCC2)c[nH+]1 ZINC000184203575 189379494 /nfs/dbraw/zinc/37/94/94/189379494.db2.gz ISVURUHJRXBWIL-UHFFFAOYSA-N 2 2 255.365 3.055 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813676 238917720 /nfs/dbraw/zinc/91/77/20/238917720.db2.gz UABJJHFVBLGBAW-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000447813676 238917723 /nfs/dbraw/zinc/91/77/23/238917723.db2.gz UABJJHFVBLGBAW-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449073897 239158519 /nfs/dbraw/zinc/15/85/19/239158519.db2.gz JNKCHCBDMDDXGM-HPUBIQBYSA-N 2 2 291.439 3.132 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000449109443 239183132 /nfs/dbraw/zinc/18/31/32/239183132.db2.gz WUIHOLDWBNETHO-CVEARBPZSA-N 2 2 298.430 3.247 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000449109443 239183139 /nfs/dbraw/zinc/18/31/39/239183139.db2.gz WUIHOLDWBNETHO-CVEARBPZSA-N 2 2 298.430 3.247 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449325296 239316294 /nfs/dbraw/zinc/31/62/94/239316294.db2.gz LPBBLUWFSJTLGL-OAHLLOKOSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449325296 239316298 /nfs/dbraw/zinc/31/62/98/239316298.db2.gz LPBBLUWFSJTLGL-OAHLLOKOSA-N 2 2 281.359 3.156 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCC3=CCCC3)cc2)c[nH+]1 ZINC000120141436 370742285 /nfs/dbraw/zinc/74/22/85/370742285.db2.gz FFWKIAJVOQZQCZ-UHFFFAOYSA-N 2 2 267.376 3.462 20 0 CGADLP Cc1ccc2[nH+]c(Cn3c[nH+]c4c3C[C@@H](C)[C@@H](C)C4)cn2c1 ZINC000451003502 240188057 /nfs/dbraw/zinc/18/80/57/240188057.db2.gz VADWVWZXVVNVCK-UONOGXRCSA-N 2 2 294.402 3.258 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000451062273 240206672 /nfs/dbraw/zinc/20/66/72/240206672.db2.gz MVPLXKLKKVPGDH-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000451062273 240206674 /nfs/dbraw/zinc/20/66/74/240206674.db2.gz MVPLXKLKKVPGDH-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000451062273 240206680 /nfs/dbraw/zinc/20/66/80/240206680.db2.gz MVPLXKLKKVPGDH-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000451062273 240206683 /nfs/dbraw/zinc/20/66/83/240206683.db2.gz MVPLXKLKKVPGDH-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000451509810 240315421 /nfs/dbraw/zinc/31/54/21/240315421.db2.gz ZKNSBMXRYXPDID-IAOVAPTHSA-N 2 2 299.418 3.021 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275574705 193078262 /nfs/dbraw/zinc/07/82/62/193078262.db2.gz OPUWFYDCGGSISK-YQQAZPJKSA-N 2 2 291.439 3.365 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000459311208 242066156 /nfs/dbraw/zinc/06/61/56/242066156.db2.gz VMOLRILOUJXBDL-UHFFFAOYSA-N 2 2 277.456 3.499 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000459311208 242066160 /nfs/dbraw/zinc/06/61/60/242066160.db2.gz VMOLRILOUJXBDL-UHFFFAOYSA-N 2 2 277.456 3.499 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000459653984 242164886 /nfs/dbraw/zinc/16/48/86/242164886.db2.gz DVRUPLJDCQHJLE-SJLPKXTDSA-N 2 2 287.451 3.070 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000459653496 242165972 /nfs/dbraw/zinc/16/59/72/242165972.db2.gz CPCISAVSDBIZDL-IUODEOHRSA-N 2 2 275.421 3.458 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712875 242190433 /nfs/dbraw/zinc/19/04/33/242190433.db2.gz NQLOQVRUJWMALW-BBRMVZONSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712875 242190435 /nfs/dbraw/zinc/19/04/35/242190435.db2.gz NQLOQVRUJWMALW-BBRMVZONSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C(C)(C)C ZINC000480782478 243165246 /nfs/dbraw/zinc/16/52/46/243165246.db2.gz XTQAHWSOJZZEEN-AWEZNQCLSA-N 2 2 284.513 3.372 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000480161804 243139587 /nfs/dbraw/zinc/13/95/87/243139587.db2.gz AGLWNJXKWUXQNP-BHYGNILZSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000480161804 243139591 /nfs/dbraw/zinc/13/95/91/243139591.db2.gz AGLWNJXKWUXQNP-BHYGNILZSA-N 2 2 260.425 3.314 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000484470546 243312524 /nfs/dbraw/zinc/31/25/24/243312524.db2.gz GLTICRNKKWFQQB-NVXWUHKLSA-N 2 2 292.492 3.391 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484490688 243314510 /nfs/dbraw/zinc/31/45/10/243314510.db2.gz KZHFAHLYUFTLSL-KKUMJFAQSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390356 243360652 /nfs/dbraw/zinc/36/06/52/243360652.db2.gz VPKBPSBOTIMIQN-FUHWJXTLSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000486390356 243360654 /nfs/dbraw/zinc/36/06/54/243360654.db2.gz VPKBPSBOTIMIQN-FUHWJXTLSA-N 2 2 286.463 3.329 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000124376379 370925118 /nfs/dbraw/zinc/92/51/18/370925118.db2.gz NPAPTZDYXFFFML-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000124376379 370925119 /nfs/dbraw/zinc/92/51/19/370925119.db2.gz NPAPTZDYXFFFML-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031995066 368922313 /nfs/dbraw/zinc/92/23/13/368922313.db2.gz YJSDDTJHCYKBHH-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031995066 368922322 /nfs/dbraw/zinc/92/23/22/368922322.db2.gz YJSDDTJHCYKBHH-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP CC(C)[NH+]1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000036335235 369016959 /nfs/dbraw/zinc/01/69/59/369016959.db2.gz APABXJWAGHEYSL-UHFFFAOYSA-N 2 2 261.413 3.037 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157412 369072526 /nfs/dbraw/zinc/07/25/26/369072526.db2.gz VFZRNZYKVLISBQ-CHWSQXEVSA-N 2 2 275.421 3.344 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@@H](C)Cn3cc[nH+]c3)C2)cc1 ZINC000037158225 369074455 /nfs/dbraw/zinc/07/44/55/369074455.db2.gz PYNCVOWGBJIRCK-OOHWJJMZSA-N 2 2 269.392 3.116 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000041119400 369174540 /nfs/dbraw/zinc/17/45/40/369174540.db2.gz CKRHLTKPJORQAE-SNVBAGLBSA-N 2 2 267.735 3.026 20 0 CGADLP c1csc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000042329362 369213643 /nfs/dbraw/zinc/21/36/43/369213643.db2.gz APULCGNXQNGNNJ-CQSZACIVSA-N 2 2 261.394 3.076 20 0 CGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684055 369265126 /nfs/dbraw/zinc/26/51/26/369265126.db2.gz RNIFIJNKWWRTOM-QAPCUYQASA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684055 369265130 /nfs/dbraw/zinc/26/51/30/369265130.db2.gz RNIFIJNKWWRTOM-QAPCUYQASA-N 2 2 270.420 3.280 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632010 244307801 /nfs/dbraw/zinc/30/78/01/244307801.db2.gz KWPJONMIFNOHEG-LIRRHRJNSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632010 244307804 /nfs/dbraw/zinc/30/78/04/244307804.db2.gz KWPJONMIFNOHEG-LIRRHRJNSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666488 244308703 /nfs/dbraw/zinc/30/87/03/244308703.db2.gz PVKRMSLIIVJWPV-MEDUHNTESA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666488 244308707 /nfs/dbraw/zinc/30/87/07/244308707.db2.gz PVKRMSLIIVJWPV-MEDUHNTESA-N 2 2 296.817 3.094 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000045663083 369283853 /nfs/dbraw/zinc/28/38/53/369283853.db2.gz PJPXUOZBSRSMKG-GFCCVEGCSA-N 2 2 299.256 3.442 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000494926175 244330976 /nfs/dbraw/zinc/33/09/76/244330976.db2.gz ZSXWRYQTLDTIBO-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000053201398 369480638 /nfs/dbraw/zinc/48/06/38/369480638.db2.gz WTNSMPXBJHWQJY-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000053201398 369480639 /nfs/dbraw/zinc/48/06/39/369480639.db2.gz WTNSMPXBJHWQJY-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000054764836 369505887 /nfs/dbraw/zinc/50/58/87/369505887.db2.gz VZXZRSHFQVYSTA-AWEZNQCLSA-N 2 2 261.344 3.426 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000054111211 369496256 /nfs/dbraw/zinc/49/62/56/369496256.db2.gz QTXIXDSDKOAZME-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000054111211 369496258 /nfs/dbraw/zinc/49/62/58/369496258.db2.gz QTXIXDSDKOAZME-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP C[NH+](C)CCc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000276359997 193299462 /nfs/dbraw/zinc/29/94/62/193299462.db2.gz VRGINBZPAYFRNL-UHFFFAOYSA-N 2 2 296.418 3.070 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000072857735 369840157 /nfs/dbraw/zinc/84/01/57/369840157.db2.gz CIKDEVGJVZBYQR-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000072857735 369840163 /nfs/dbraw/zinc/84/01/63/369840163.db2.gz CIKDEVGJVZBYQR-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072857735 369840165 /nfs/dbraw/zinc/84/01/65/369840165.db2.gz CIKDEVGJVZBYQR-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072857735 369840172 /nfs/dbraw/zinc/84/01/72/369840172.db2.gz CIKDEVGJVZBYQR-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@H](c1ccccc1)[NH+](C)C ZINC000248627765 296151855 /nfs/dbraw/zinc/15/18/55/296151855.db2.gz FNNSULSJBRZRJG-HDMKZQKVSA-N 2 2 283.419 3.424 20 0 CGADLP CC[N@H+](C/C=C/Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108729 369930598 /nfs/dbraw/zinc/93/05/98/369930598.db2.gz XGVYFHQIWCBGSI-WEVVVXLNSA-N 2 2 293.842 3.372 20 0 CGADLP CC[N@@H+](C/C=C/Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108729 369930605 /nfs/dbraw/zinc/93/06/05/369930605.db2.gz XGVYFHQIWCBGSI-WEVVVXLNSA-N 2 2 293.842 3.372 20 0 CGADLP C[N@H+](C/C=C/Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110010 369931218 /nfs/dbraw/zinc/93/12/18/369931218.db2.gz LIZIMSGHFAAMNG-RDTXFTJFSA-N 2 2 278.827 3.193 20 0 CGADLP C[N@@H+](C/C=C/Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110010 369931224 /nfs/dbraw/zinc/93/12/24/369931224.db2.gz LIZIMSGHFAAMNG-RDTXFTJFSA-N 2 2 278.827 3.193 20 0 CGADLP C[NH+](C/C=C/Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110010 369931227 /nfs/dbraw/zinc/93/12/27/369931227.db2.gz LIZIMSGHFAAMNG-RDTXFTJFSA-N 2 2 278.827 3.193 20 0 CGADLP C[NH+](C/C=C/Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110010 369931232 /nfs/dbraw/zinc/93/12/32/369931232.db2.gz LIZIMSGHFAAMNG-RDTXFTJFSA-N 2 2 278.827 3.193 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043481 370089514 /nfs/dbraw/zinc/08/95/14/370089514.db2.gz ANRVJVDQMYLZAL-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043481 370089517 /nfs/dbraw/zinc/08/95/17/370089517.db2.gz ANRVJVDQMYLZAL-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043481 370089520 /nfs/dbraw/zinc/08/95/20/370089520.db2.gz ANRVJVDQMYLZAL-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)CC[C@@H]21 ZINC000092043481 370089524 /nfs/dbraw/zinc/08/95/24/370089524.db2.gz ANRVJVDQMYLZAL-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638716 370151278 /nfs/dbraw/zinc/15/12/78/370151278.db2.gz XHBOGLSQEMAWTM-UKRRQHHQSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638716 370151280 /nfs/dbraw/zinc/15/12/80/370151280.db2.gz XHBOGLSQEMAWTM-UKRRQHHQSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638716 370151286 /nfs/dbraw/zinc/15/12/86/370151286.db2.gz XHBOGLSQEMAWTM-UKRRQHHQSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)C)s2)[C@H](C)C1 ZINC000093638716 370151290 /nfs/dbraw/zinc/15/12/90/370151290.db2.gz XHBOGLSQEMAWTM-UKRRQHHQSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770710 370158625 /nfs/dbraw/zinc/15/86/25/370158625.db2.gz DDNMPXAZMZALSB-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770710 370158626 /nfs/dbraw/zinc/15/86/26/370158626.db2.gz DDNMPXAZMZALSB-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770710 370158632 /nfs/dbraw/zinc/15/86/32/370158632.db2.gz DDNMPXAZMZALSB-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000093770710 370158635 /nfs/dbraw/zinc/15/86/35/370158635.db2.gz DDNMPXAZMZALSB-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](CCCNc1cc[nH+]c(C2CC2)n1)Cc1ccccc1 ZINC000110120330 370370293 /nfs/dbraw/zinc/37/02/93/370370293.db2.gz UXWYNXCJXOQKDB-UHFFFAOYSA-N 2 2 296.418 3.288 20 0 CGADLP C[N@@H+](CCCNc1cc[nH+]c(C2CC2)n1)Cc1ccccc1 ZINC000110120330 370370296 /nfs/dbraw/zinc/37/02/96/370370296.db2.gz UXWYNXCJXOQKDB-UHFFFAOYSA-N 2 2 296.418 3.288 20 0 CGADLP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc[nH+]1 ZINC000110370156 370378537 /nfs/dbraw/zinc/37/85/37/370378537.db2.gz SZFCBOXALHSTOO-AWEZNQCLSA-N 2 2 276.428 3.132 20 0 CGADLP CC(C)c1nc(NC[C@@H]2CCC[N@H+](C(C)C)C2)cc[nH+]1 ZINC000110370156 370378543 /nfs/dbraw/zinc/37/85/43/370378543.db2.gz SZFCBOXALHSTOO-AWEZNQCLSA-N 2 2 276.428 3.132 20 0 CGADLP CC[NH+](CC)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112198761 370414610 /nfs/dbraw/zinc/41/46/10/370414610.db2.gz ZEENVTBDGUCDOG-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP Cc1cccc(NCCc2[nH+]ccn2Cc2ccccc2)[nH+]1 ZINC000114184269 370492783 /nfs/dbraw/zinc/49/27/83/370492783.db2.gz LDPMXUGGRCRMQU-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843658 370627808 /nfs/dbraw/zinc/62/78/08/370627808.db2.gz ADRKKVPNEIKYQB-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843658 370627810 /nfs/dbraw/zinc/62/78/10/370627810.db2.gz ADRKKVPNEIKYQB-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843658 370627812 /nfs/dbraw/zinc/62/78/12/370627812.db2.gz ADRKKVPNEIKYQB-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843658 370627814 /nfs/dbraw/zinc/62/78/14/370627814.db2.gz ADRKKVPNEIKYQB-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC000119030510 370637728 /nfs/dbraw/zinc/63/77/28/370637728.db2.gz AKDGSUSSVZMZRQ-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC000119030510 370637729 /nfs/dbraw/zinc/63/77/29/370637729.db2.gz AKDGSUSSVZMZRQ-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccsc1 ZINC000119030510 370637731 /nfs/dbraw/zinc/63/77/31/370637731.db2.gz AKDGSUSSVZMZRQ-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccsc1 ZINC000119030510 370637733 /nfs/dbraw/zinc/63/77/33/370637733.db2.gz AKDGSUSSVZMZRQ-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000130982300 371074213 /nfs/dbraw/zinc/07/42/13/371074213.db2.gz KCIQXHKSGZIBGD-LBPRGKRZSA-N 2 2 263.772 3.230 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000130982300 371074217 /nfs/dbraw/zinc/07/42/17/371074217.db2.gz KCIQXHKSGZIBGD-LBPRGKRZSA-N 2 2 263.772 3.230 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)cc1 ZINC000131861775 371134171 /nfs/dbraw/zinc/13/41/71/371134171.db2.gz YJLCDZAASGZDGW-INIZCTEOSA-N 2 2 273.355 3.153 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000133056378 371222968 /nfs/dbraw/zinc/22/29/68/371222968.db2.gz BSFXKZRYYLJLJQ-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000133056378 371222976 /nfs/dbraw/zinc/22/29/76/371222976.db2.gz BSFXKZRYYLJLJQ-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP CC(C)CC[NH+](CCC(C)C)CCn1cc[nH+]c1 ZINC000336783375 213610766 /nfs/dbraw/zinc/61/07/66/213610766.db2.gz JWWRQPLSOUQLIE-UHFFFAOYSA-N 2 2 251.418 3.277 20 0 CGADLP FC(F)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000150080693 371531197 /nfs/dbraw/zinc/53/11/97/371531197.db2.gz GTLMPIHCGFDLLN-UHFFFAOYSA-N 2 2 265.307 3.001 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000150893299 371545845 /nfs/dbraw/zinc/54/58/45/371545845.db2.gz WEJAZTAQLZSVNM-STQMWFEESA-N 2 2 252.427 3.273 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087133 371601568 /nfs/dbraw/zinc/60/15/68/371601568.db2.gz PCFAHZQTLQRSQW-PMPSAXMXSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087133 371601574 /nfs/dbraw/zinc/60/15/74/371601574.db2.gz PCFAHZQTLQRSQW-PMPSAXMXSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000421818657 371641051 /nfs/dbraw/zinc/64/10/51/371641051.db2.gz BWRCPHNINAEIHH-BZNIZROVSA-N 2 2 298.833 3.340 20 0 CGADLP COC1([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000421837321 371659877 /nfs/dbraw/zinc/65/98/77/371659877.db2.gz SCOIPCXPRRBYBD-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421866230 371688602 /nfs/dbraw/zinc/68/86/02/371688602.db2.gz AIXRDIPILPYPLO-WQVCFCJDSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421866230 371688607 /nfs/dbraw/zinc/68/86/07/371688607.db2.gz AIXRDIPILPYPLO-WQVCFCJDSA-N 2 2 294.389 3.455 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000422635661 371755125 /nfs/dbraw/zinc/75/51/25/371755125.db2.gz LUWGQNKZRKOBCV-MCIONIFRSA-N 2 2 295.496 3.291 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000422635661 371755129 /nfs/dbraw/zinc/75/51/29/371755129.db2.gz LUWGQNKZRKOBCV-MCIONIFRSA-N 2 2 295.496 3.291 20 0 CGADLP C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422718670 371765952 /nfs/dbraw/zinc/76/59/52/371765952.db2.gz XGHCUEQXTPXOAF-KWCYVHTRSA-N 2 2 286.341 3.410 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1F ZINC000422736518 371774836 /nfs/dbraw/zinc/77/48/36/371774836.db2.gz GKXLKZTZXXKUSR-PXAZEXFGSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000422746916 371782829 /nfs/dbraw/zinc/78/28/29/371782829.db2.gz XNCZYHQVNUTLTM-SJKOYZFVSA-N 2 2 285.435 3.181 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000422785058 371806486 /nfs/dbraw/zinc/80/64/86/371806486.db2.gz QQCANKIWIIUYCR-KBPBESRZSA-N 2 2 297.240 3.199 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1F ZINC000422789846 371808609 /nfs/dbraw/zinc/80/86/09/371808609.db2.gz WZNGMYRGKOSUPH-SJKOYZFVSA-N 2 2 290.357 3.013 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422792670 371810936 /nfs/dbraw/zinc/81/09/36/371810936.db2.gz RINZUXTZTBJOOA-JKSUJKDBSA-N 2 2 285.391 3.091 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422871939 371847138 /nfs/dbraw/zinc/84/71/38/371847138.db2.gz DYZLVCBVFJKWOB-AWEZNQCLSA-N 2 2 299.418 3.442 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422872699 371849137 /nfs/dbraw/zinc/84/91/37/371849137.db2.gz IIVRKQUYCLGZQU-HOCLYGCPSA-N 2 2 276.424 3.012 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422876841 371850443 /nfs/dbraw/zinc/85/04/43/371850443.db2.gz QSQBDBRHKCJOLB-YJBOKZPZSA-N 2 2 298.430 3.052 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422881242 371852060 /nfs/dbraw/zinc/85/20/60/371852060.db2.gz YKLUKXAZUBVQIA-GXTWGEPZSA-N 2 2 298.377 3.217 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422899147 371861399 /nfs/dbraw/zinc/86/13/99/371861399.db2.gz GVLXPLADDZGMIR-KBPBESRZSA-N 2 2 286.341 3.354 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384168 371842770 /nfs/dbraw/zinc/84/27/70/371842770.db2.gz YDQNDKIQVMAHOG-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384168 371842778 /nfs/dbraw/zinc/84/27/78/371842778.db2.gz YDQNDKIQVMAHOG-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384168 371842789 /nfs/dbraw/zinc/84/27/89/371842789.db2.gz YDQNDKIQVMAHOG-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Cl)c(F)c1 ZINC000154384168 371842795 /nfs/dbraw/zinc/84/27/95/371842795.db2.gz YDQNDKIQVMAHOG-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP CCSc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000423059200 371939777 /nfs/dbraw/zinc/93/97/77/371939777.db2.gz FFOOAFXOGCEGQB-CVEARBPZSA-N 2 2 299.443 3.428 20 0 CGADLP CCCCOc1ncccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422969491 371897726 /nfs/dbraw/zinc/89/77/26/371897726.db2.gz CTVPFBMJLVFYFJ-HOTGVXAUSA-N 2 2 291.439 3.010 20 0 CGADLP CC(C)CSCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155187891 371912752 /nfs/dbraw/zinc/91/27/52/371912752.db2.gz WFSNJQXVTYZKFS-UHFFFAOYSA-N 2 2 281.469 3.299 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1N(C)C ZINC000290199303 371932311 /nfs/dbraw/zinc/93/23/11/371932311.db2.gz CVQYPPSATZTIBZ-UHFFFAOYSA-N 2 2 283.419 3.178 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092677 371957568 /nfs/dbraw/zinc/95/75/68/371957568.db2.gz CXYDCNFCUBKROM-NZTRGOHKSA-N 2 2 296.817 3.255 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172042 372001989 /nfs/dbraw/zinc/00/19/89/372001989.db2.gz QZEZGJCNQJVVHU-WBVHZDCISA-N 2 2 298.430 3.005 20 0 CGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000423130594 371982866 /nfs/dbraw/zinc/98/28/66/371982866.db2.gz GVFZSQPRVXBQIC-XFBWCDHKSA-N 2 2 298.352 3.114 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000156589531 371986560 /nfs/dbraw/zinc/98/65/60/371986560.db2.gz QECSQAHEZQOFBQ-NVXWUHKLSA-N 2 2 290.476 3.091 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000156589531 371986565 /nfs/dbraw/zinc/98/65/65/371986565.db2.gz QECSQAHEZQOFBQ-NVXWUHKLSA-N 2 2 290.476 3.091 20 0 CGADLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000290489452 372000234 /nfs/dbraw/zinc/00/02/34/372000234.db2.gz JDDHRYGDODPMRD-GFCCVEGCSA-N 2 2 284.338 3.379 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155981574 371956824 /nfs/dbraw/zinc/95/68/24/371956824.db2.gz DYYBMDYDMROFFS-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155981574 371956826 /nfs/dbraw/zinc/95/68/26/371956826.db2.gz DYYBMDYDMROFFS-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423194144 372019160 /nfs/dbraw/zinc/01/91/60/372019160.db2.gz WNSHGLAVUCCNKA-ZDUSSCGKSA-N 2 2 256.349 3.088 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCCn1cc[nH+]c1 ZINC000290574088 372020689 /nfs/dbraw/zinc/02/06/89/372020689.db2.gz TZEMHIIURSFKSU-DUXPYHPUSA-N 2 2 291.345 3.197 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCCn1cc[nH+]c1 ZINC000290574088 372020694 /nfs/dbraw/zinc/02/06/94/372020694.db2.gz TZEMHIIURSFKSU-DUXPYHPUSA-N 2 2 291.345 3.197 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423197513 372021860 /nfs/dbraw/zinc/02/18/60/372021860.db2.gz ZRFSPNIJYQDPMT-KBXCAEBGSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(-c2ccccc2)c1 ZINC000423206261 372030225 /nfs/dbraw/zinc/03/02/25/372030225.db2.gz QFROCNGMDFAGSX-KSSFIOAISA-N 2 2 266.388 3.366 20 0 CGADLP Cc1cccc2c1[nH+]cc(C)c2N1CCn2c[nH+]cc2C1 ZINC000290642452 372034424 /nfs/dbraw/zinc/03/44/24/372034424.db2.gz IBUSWEHWSKFVPU-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP C[NH2+]CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423248535 372042023 /nfs/dbraw/zinc/04/20/23/372042023.db2.gz QYNVKSAFXJFZKI-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423264622 372043919 /nfs/dbraw/zinc/04/39/19/372043919.db2.gz AJUCEPNQNOUBGB-JOYOIKCWSA-N 2 2 281.469 3.137 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423305580 372049744 /nfs/dbraw/zinc/04/97/44/372049744.db2.gz RFFKDUACEJGKEG-GVXVVHGQSA-N 2 2 250.411 3.028 20 0 CGADLP CCCC(O)(CCC)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000157032750 372004840 /nfs/dbraw/zinc/00/48/40/372004840.db2.gz COIDDZAVTYAJHM-UHFFFAOYSA-N 2 2 289.423 3.064 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423178663 372009540 /nfs/dbraw/zinc/00/95/40/372009540.db2.gz CKRKQKCITSRXKV-YOEHRIQHSA-N 2 2 272.392 3.472 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423181668 372010385 /nfs/dbraw/zinc/01/03/85/372010385.db2.gz GJDNUOQSKQXJHK-HOCLYGCPSA-N 2 2 276.424 3.268 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423181665 372010932 /nfs/dbraw/zinc/01/09/32/372010932.db2.gz GJDNUOQSKQXJHK-GDBMZVCRSA-N 2 2 276.424 3.268 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672409 541868629 /nfs/dbraw/zinc/86/86/29/541868629.db2.gz KHAPXTNRUYROLV-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672409 541868633 /nfs/dbraw/zinc/86/86/33/541868633.db2.gz KHAPXTNRUYROLV-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000040671829 541867999 /nfs/dbraw/zinc/86/79/99/541867999.db2.gz UKSBGEQSNYUBRE-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000040671829 541868001 /nfs/dbraw/zinc/86/80/01/541868001.db2.gz UKSBGEQSNYUBRE-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292788501 372211606 /nfs/dbraw/zinc/21/16/06/372211606.db2.gz MFBHAHWPMAEBPH-CABCVRRESA-N 2 2 280.362 3.300 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)n2c1 ZINC000292765167 372204144 /nfs/dbraw/zinc/20/41/44/372204144.db2.gz JUPVSOFGSAFACW-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)n2c1 ZINC000292765167 372204149 /nfs/dbraw/zinc/20/41/49/372204149.db2.gz JUPVSOFGSAFACW-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1C ZINC000040672516 541870639 /nfs/dbraw/zinc/87/06/39/541870639.db2.gz NEUYPDSVMMWBIH-HOTGVXAUSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1C ZINC000040672516 541870643 /nfs/dbraw/zinc/87/06/43/541870643.db2.gz NEUYPDSVMMWBIH-HOTGVXAUSA-N 2 2 260.425 3.357 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428882764 372279367 /nfs/dbraw/zinc/27/93/67/372279367.db2.gz SETHGSVFGYXHJU-UHFFFAOYSA-N 2 2 295.427 3.113 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@@H+]1C ZINC000344355448 217166441 /nfs/dbraw/zinc/16/64/41/217166441.db2.gz LNQHYHNASXVXJU-KXBFYZLASA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@H+]1C ZINC000344355448 217166445 /nfs/dbraw/zinc/16/64/45/217166445.db2.gz LNQHYHNASXVXJU-KXBFYZLASA-N 2 2 295.430 3.321 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293562498 372411576 /nfs/dbraw/zinc/41/15/76/372411576.db2.gz MGGFVXMWTBEPNL-OLZOCXBDSA-N 2 2 282.815 3.008 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c21 ZINC000165260951 372547982 /nfs/dbraw/zinc/54/79/82/372547982.db2.gz XXGDKDUXMBNPLF-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c21 ZINC000165260951 372547991 /nfs/dbraw/zinc/54/79/91/372547991.db2.gz XXGDKDUXMBNPLF-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP Oc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1Cl ZINC000294002031 372551571 /nfs/dbraw/zinc/55/15/71/372551571.db2.gz GCZBOHLUAPKRFA-UHFFFAOYSA-N 2 2 282.815 3.011 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167671734 372600615 /nfs/dbraw/zinc/60/06/15/372600615.db2.gz HRZYPSKQCDXFSD-WBVHZDCISA-N 2 2 290.451 3.356 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167671734 372600626 /nfs/dbraw/zinc/60/06/26/372600626.db2.gz HRZYPSKQCDXFSD-WBVHZDCISA-N 2 2 290.451 3.356 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000166210278 372566666 /nfs/dbraw/zinc/56/66/66/372566666.db2.gz XECVTJWSWWOKGG-MRXNPFEDSA-N 2 2 281.403 3.273 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000344537614 217224596 /nfs/dbraw/zinc/22/45/96/217224596.db2.gz VVTOCZVAZIINEC-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP COCc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344547085 217227683 /nfs/dbraw/zinc/22/76/83/217227683.db2.gz LEHLRDVFWXGBAT-KRWDZBQOSA-N 2 2 299.418 3.005 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC1CCOCC1 ZINC000434794992 372711741 /nfs/dbraw/zinc/71/17/41/372711741.db2.gz PIBZRFICKDAPDY-CRAIPNDOSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC1CCOCC1 ZINC000434794992 372711748 /nfs/dbraw/zinc/71/17/48/372711748.db2.gz PIBZRFICKDAPDY-CRAIPNDOSA-N 2 2 294.483 3.046 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000435878950 372824318 /nfs/dbraw/zinc/82/43/18/372824318.db2.gz HRVBGILSZORBGJ-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000435878950 372824330 /nfs/dbraw/zinc/82/43/30/372824330.db2.gz HRVBGILSZORBGJ-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP COc1ccc2c(c1)C[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000353447470 220088763 /nfs/dbraw/zinc/08/87/63/220088763.db2.gz KZVZEYQRKZBMLO-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP COc1ccc2c(c1)C[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000353447470 220088766 /nfs/dbraw/zinc/08/87/66/220088766.db2.gz KZVZEYQRKZBMLO-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000438082122 372871657 /nfs/dbraw/zinc/87/16/57/372871657.db2.gz AVGSRJGIGYRUAB-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000438082122 372871666 /nfs/dbraw/zinc/87/16/66/372871666.db2.gz AVGSRJGIGYRUAB-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000438081891 372872132 /nfs/dbraw/zinc/87/21/32/372872132.db2.gz PVTJCFFWLUEMRH-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000438081891 372872136 /nfs/dbraw/zinc/87/21/36/372872136.db2.gz PVTJCFFWLUEMRH-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCCCOc1ccccc1 ZINC000438195007 372910338 /nfs/dbraw/zinc/91/03/38/372910338.db2.gz YLEWJVNSYWDGHP-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCCCOc1ccccc1 ZINC000438195007 372910346 /nfs/dbraw/zinc/91/03/46/372910346.db2.gz YLEWJVNSYWDGHP-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000344688640 217276019 /nfs/dbraw/zinc/27/60/19/217276019.db2.gz VEVSKBIHJYHYHA-JSGCOSHPSA-N 2 2 293.480 3.373 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000344688640 217276022 /nfs/dbraw/zinc/27/60/22/217276022.db2.gz VEVSKBIHJYHYHA-JSGCOSHPSA-N 2 2 293.480 3.373 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000438346777 372932631 /nfs/dbraw/zinc/93/26/31/372932631.db2.gz QMWYLDMBYSUSBC-UHFFFAOYSA-N 2 2 274.452 3.426 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000442776801 373078327 /nfs/dbraw/zinc/07/83/27/373078327.db2.gz HNNXUCWXGPLAPB-CHWSQXEVSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000442776801 373078330 /nfs/dbraw/zinc/07/83/30/373078330.db2.gz HNNXUCWXGPLAPB-CHWSQXEVSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000173352015 373131471 /nfs/dbraw/zinc/13/14/71/373131471.db2.gz LJNUKTODHYMUSA-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000173352015 373131473 /nfs/dbraw/zinc/13/14/73/373131473.db2.gz LJNUKTODHYMUSA-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444652858 373221228 /nfs/dbraw/zinc/22/12/28/373221228.db2.gz KHYSAYHDVIXCFD-IBGZPJMESA-N 2 2 296.414 3.340 20 0 CGADLP CCc1ccccc1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000444652858 373221233 /nfs/dbraw/zinc/22/12/33/373221233.db2.gz KHYSAYHDVIXCFD-IBGZPJMESA-N 2 2 296.414 3.340 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173875559 373206488 /nfs/dbraw/zinc/20/64/88/373206488.db2.gz RTYHYEYVZCXKRM-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173875559 373206495 /nfs/dbraw/zinc/20/64/95/373206495.db2.gz RTYHYEYVZCXKRM-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000447587167 373459577 /nfs/dbraw/zinc/45/95/77/373459577.db2.gz PDTTVBVZNIURSL-XGUBFFRZSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000447587167 373459586 /nfs/dbraw/zinc/45/95/86/373459586.db2.gz PDTTVBVZNIURSL-XGUBFFRZSA-N 2 2 252.446 3.129 20 0 CGADLP Nc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000299414413 373533949 /nfs/dbraw/zinc/53/39/49/373533949.db2.gz WHKUZMXAVXHJNA-CQSZACIVSA-N 2 2 271.364 3.374 20 0 CGADLP Nc1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc[nH+]1 ZINC000299414413 373533957 /nfs/dbraw/zinc/53/39/57/373533957.db2.gz WHKUZMXAVXHJNA-CQSZACIVSA-N 2 2 271.364 3.374 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000300402482 373625480 /nfs/dbraw/zinc/62/54/80/373625480.db2.gz OGVLQNQGCQYBLB-HIFRSBDPSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000300402482 373625488 /nfs/dbraw/zinc/62/54/88/373625488.db2.gz OGVLQNQGCQYBLB-HIFRSBDPSA-N 2 2 264.413 3.223 20 0 CGADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000300871537 373640156 /nfs/dbraw/zinc/64/01/56/373640156.db2.gz XJDCUBWTWFCFMY-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000300871537 373640164 /nfs/dbraw/zinc/64/01/64/373640164.db2.gz XJDCUBWTWFCFMY-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP CO[C@@H](C)C[N@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000353647052 220221666 /nfs/dbraw/zinc/22/16/66/220221666.db2.gz FKISDHWXGYJJKP-HNNXBMFYSA-N 2 2 264.413 3.068 20 0 CGADLP CO[C@@H](C)C[N@@H+](CCCc1ccc(C)[nH+]c1)C(C)C ZINC000353647052 220221668 /nfs/dbraw/zinc/22/16/68/220221668.db2.gz FKISDHWXGYJJKP-HNNXBMFYSA-N 2 2 264.413 3.068 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922976 373615517 /nfs/dbraw/zinc/61/55/17/373615517.db2.gz VFTBTUQSAMADEH-MAUKXSAKSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922976 373615523 /nfs/dbraw/zinc/61/55/23/373615523.db2.gz VFTBTUQSAMADEH-MAUKXSAKSA-N 2 2 266.388 3.024 20 0 CGADLP CCC1([NH2+]Cc2c[nH+]c3c(C)cccn23)CCCC1 ZINC000449427684 373703822 /nfs/dbraw/zinc/70/38/22/373703822.db2.gz SNIOIINQSLGMJL-UHFFFAOYSA-N 2 2 257.381 3.455 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C)c1 ZINC000353669889 220239648 /nfs/dbraw/zinc/23/96/48/220239648.db2.gz JXYHTQYQIXQVBC-HZPDHXFCSA-N 2 2 269.392 3.247 20 0 CGADLP Cc1cccc(N2CC[NH+](C3CCC(C)CC3)CC2)[nH+]1 ZINC000301937952 373814500 /nfs/dbraw/zinc/81/45/00/373814500.db2.gz UFAQTNOWCYPBBT-UHFFFAOYSA-N 2 2 273.424 3.091 20 0 CGADLP Cc1cccc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000302242905 373842898 /nfs/dbraw/zinc/84/28/98/373842898.db2.gz POFXJISGUWUIID-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000302242905 373842900 /nfs/dbraw/zinc/84/29/00/373842900.db2.gz POFXJISGUWUIID-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP C[C@H](C[NH2+]C(C1CCC1)C1CCC1)[N@H+](C)C1CC1 ZINC000302458604 373871980 /nfs/dbraw/zinc/87/19/80/373871980.db2.gz DOSFXLXUGGYDMH-GFCCVEGCSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+]C(C1CCC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000302458604 373871985 /nfs/dbraw/zinc/87/19/85/373871985.db2.gz DOSFXLXUGGYDMH-GFCCVEGCSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180076076 373964347 /nfs/dbraw/zinc/96/43/47/373964347.db2.gz SSWANDLMSSWBIC-CQSZACIVSA-N 2 2 277.371 3.454 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180076076 373964348 /nfs/dbraw/zinc/96/43/48/373964348.db2.gz SSWANDLMSSWBIC-CQSZACIVSA-N 2 2 277.371 3.454 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC3(CCCC3)C2)[nH+]1 ZINC000180196712 373976488 /nfs/dbraw/zinc/97/64/88/373976488.db2.gz HATZJCJHDYJTAV-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC3(CCCC3)C2)[nH+]1 ZINC000180196712 373976495 /nfs/dbraw/zinc/97/64/95/373976495.db2.gz HATZJCJHDYJTAV-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP CC(C)c1nc(NC[C@H]2CCC[N@@H+]2C)cc(C(C)(C)C)[nH+]1 ZINC000302871645 373989805 /nfs/dbraw/zinc/98/98/05/373989805.db2.gz BSKZMFKRLAAXEY-CYBMUJFWSA-N 2 2 290.455 3.404 20 0 CGADLP CC(C)c1nc(NC[C@H]2CCC[N@H+]2C)cc(C(C)(C)C)[nH+]1 ZINC000302871645 373989810 /nfs/dbraw/zinc/98/98/10/373989810.db2.gz BSKZMFKRLAAXEY-CYBMUJFWSA-N 2 2 290.455 3.404 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)no1 ZINC000289510599 197384219 /nfs/dbraw/zinc/38/42/19/197384219.db2.gz AJDNEENIQDEVMU-CQSZACIVSA-N 2 2 296.374 3.079 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469149 374150393 /nfs/dbraw/zinc/15/03/93/374150393.db2.gz QPTHTBIUAYBJME-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469149 374150399 /nfs/dbraw/zinc/15/03/99/374150399.db2.gz QPTHTBIUAYBJME-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469149 374150406 /nfs/dbraw/zinc/15/04/06/374150406.db2.gz QPTHTBIUAYBJME-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469149 374150408 /nfs/dbraw/zinc/15/04/08/374150408.db2.gz QPTHTBIUAYBJME-KDOFPFPSSA-N 2 2 288.435 3.194 20 0 CGADLP C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000308763371 374179778 /nfs/dbraw/zinc/17/97/78/374179778.db2.gz ZCQYIMHJJIQGDR-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309854550 374200252 /nfs/dbraw/zinc/20/02/52/374200252.db2.gz BQXRNFXYCKOERI-INMHGKMJSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000309854550 374200257 /nfs/dbraw/zinc/20/02/57/374200257.db2.gz BQXRNFXYCKOERI-INMHGKMJSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000310644991 374220220 /nfs/dbraw/zinc/22/02/20/374220220.db2.gz DOWTTWDFNZWLHY-HNNXBMFYSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCCF)n1-c1ccccc1 ZINC000311660998 374251416 /nfs/dbraw/zinc/25/14/16/374251416.db2.gz FQHRFPAVKDJFQA-UHFFFAOYSA-N 2 2 261.344 3.020 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CCC1 ZINC000182561193 374289192 /nfs/dbraw/zinc/28/91/92/374289192.db2.gz XBFLUNXJKXIKHN-OAHLLOKOSA-N 2 2 287.451 3.347 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312602988 374284109 /nfs/dbraw/zinc/28/41/09/374284109.db2.gz NWMFOZXYXSXZAG-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312602988 374284117 /nfs/dbraw/zinc/28/41/17/374284117.db2.gz NWMFOZXYXSXZAG-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP Cc1ccccc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182769469 374324126 /nfs/dbraw/zinc/32/41/26/374324126.db2.gz UUDWLEXCLAUBPK-UHFFFAOYSA-N 2 2 283.419 3.461 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000316700421 374336473 /nfs/dbraw/zinc/33/64/73/374336473.db2.gz BWPSWVCYQAQEKX-ZOBUZTSGSA-N 3 2 298.434 3.006 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000084208711 541932126 /nfs/dbraw/zinc/93/21/26/541932126.db2.gz LXGNVOHPQYXHLC-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000084208711 541932127 /nfs/dbraw/zinc/93/21/27/541932127.db2.gz LXGNVOHPQYXHLC-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335523 541966340 /nfs/dbraw/zinc/96/63/40/541966340.db2.gz IINZFCBLPDPKFS-ROUUACIJSA-N 2 2 270.420 3.212 20 0 CGADLP c1ccc([C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335523 541966343 /nfs/dbraw/zinc/96/63/43/541966343.db2.gz IINZFCBLPDPKFS-ROUUACIJSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334343866 374670852 /nfs/dbraw/zinc/67/08/52/374670852.db2.gz RRMWLFPFTRDNBM-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000334734042 375015742 /nfs/dbraw/zinc/01/57/42/375015742.db2.gz YSDUPXXVKPSKQL-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000474468302 375112158 /nfs/dbraw/zinc/11/21/58/375112158.db2.gz MGDOOQKPJFOTBJ-ZNMIVQPWSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000474468302 375112166 /nfs/dbraw/zinc/11/21/66/375112166.db2.gz MGDOOQKPJFOTBJ-ZNMIVQPWSA-N 2 2 252.446 3.418 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187857559 375108161 /nfs/dbraw/zinc/10/81/61/375108161.db2.gz MPSNGOJRZJDRNO-IAGOWNOFSA-N 2 2 260.425 3.038 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187857559 375108169 /nfs/dbraw/zinc/10/81/69/375108169.db2.gz MPSNGOJRZJDRNO-IAGOWNOFSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)[N@H+](C)C1CC1 ZINC000482561261 375170907 /nfs/dbraw/zinc/17/09/07/375170907.db2.gz ZROLJYIQLQMAAJ-HUUCEWRRSA-N 2 2 274.452 3.425 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)[N@@H+](C)C1CC1 ZINC000482561261 375170913 /nfs/dbraw/zinc/17/09/13/375170913.db2.gz ZROLJYIQLQMAAJ-HUUCEWRRSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000335083390 375116508 /nfs/dbraw/zinc/11/65/08/375116508.db2.gz HULLZABGUCDLSG-LSDHHAIUSA-N 2 2 279.453 3.324 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000335083390 375116513 /nfs/dbraw/zinc/11/65/13/375116513.db2.gz HULLZABGUCDLSG-LSDHHAIUSA-N 2 2 279.453 3.324 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000034935743 296227101 /nfs/dbraw/zinc/22/71/01/296227101.db2.gz RIGOXUVHHBYMKG-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000034935743 296227103 /nfs/dbraw/zinc/22/71/03/296227103.db2.gz RIGOXUVHHBYMKG-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP FC(F)(F)c1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335554085 375329209 /nfs/dbraw/zinc/32/92/09/375329209.db2.gz BZQQPYPXBWDDLQ-UHFFFAOYSA-N 2 2 284.325 3.033 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000189189512 375338725 /nfs/dbraw/zinc/33/87/25/375338725.db2.gz LJKKIPOFVRNYDL-UHFFFAOYSA-N 2 2 293.773 3.230 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000335829714 375464912 /nfs/dbraw/zinc/46/49/12/375464912.db2.gz OHTXESMNJBOHJM-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000335829714 375464918 /nfs/dbraw/zinc/46/49/18/375464918.db2.gz OHTXESMNJBOHJM-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000189536747 375405359 /nfs/dbraw/zinc/40/53/59/375405359.db2.gz BFHFDIXYSFVNHR-FAEJEUNOSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000189536747 375405367 /nfs/dbraw/zinc/40/53/67/375405367.db2.gz BFHFDIXYSFVNHR-FAEJEUNOSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000494631944 375489760 /nfs/dbraw/zinc/48/97/60/375489760.db2.gz KFGNPQRKWCJWGW-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000494631944 375489766 /nfs/dbraw/zinc/48/97/66/375489766.db2.gz KFGNPQRKWCJWGW-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](CCc1cccc(F)c1F)CC2 ZINC000335989801 375596287 /nfs/dbraw/zinc/59/62/87/375596287.db2.gz HWUOKPZYZWEDQR-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](CCc1cccc(F)c1F)CC2 ZINC000335989801 375596296 /nfs/dbraw/zinc/59/62/96/375596296.db2.gz HWUOKPZYZWEDQR-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000191114722 375580386 /nfs/dbraw/zinc/58/03/86/375580386.db2.gz IWVDMNXGIMBANN-UONOGXRCSA-N 2 2 257.381 3.393 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336005415 375611852 /nfs/dbraw/zinc/61/18/52/375611852.db2.gz ZOPIGTUYMQHRJK-LLVKDONJSA-N 2 2 296.201 3.364 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000336055849 375651043 /nfs/dbraw/zinc/65/10/43/375651043.db2.gz REEKABHWZGACNH-PWSUYJOCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000336055849 375651047 /nfs/dbraw/zinc/65/10/47/375651047.db2.gz REEKABHWZGACNH-PWSUYJOCSA-N 2 2 293.461 3.041 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000503930900 375653275 /nfs/dbraw/zinc/65/32/75/375653275.db2.gz UEPLAKVIHGRXJK-SCRDCRAPSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000503930900 375653281 /nfs/dbraw/zinc/65/32/81/375653281.db2.gz UEPLAKVIHGRXJK-SCRDCRAPSA-N 2 2 264.438 3.009 20 0 CGADLP CC(C)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507508059 375708933 /nfs/dbraw/zinc/70/89/33/375708933.db2.gz IZDWKUKVDXWLQK-UHFFFAOYSA-N 2 2 280.378 3.429 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(Cl)ccc2C1 ZINC000192242498 375715548 /nfs/dbraw/zinc/71/55/48/375715548.db2.gz XSGLPBGAEOQDLQ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(Cl)ccc2C1 ZINC000192242498 375715558 /nfs/dbraw/zinc/71/55/58/375715558.db2.gz XSGLPBGAEOQDLQ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242498 375715562 /nfs/dbraw/zinc/71/55/62/375715562.db2.gz XSGLPBGAEOQDLQ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242498 375715569 /nfs/dbraw/zinc/71/55/69/375715569.db2.gz XSGLPBGAEOQDLQ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP Cc1[nH+]c2cc(N[C@@H](c3[nH+]ccn3C)C3CC3)ccc2n1C ZINC000129099628 542054552 /nfs/dbraw/zinc/05/45/52/542054552.db2.gz PENMYVKLJTWTHN-MRXNPFEDSA-N 2 2 295.390 3.178 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000192937558 375806861 /nfs/dbraw/zinc/80/68/61/375806861.db2.gz CDOUREZZAFMMSX-AWEZNQCLSA-N 2 2 271.364 3.144 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000192942580 375807258 /nfs/dbraw/zinc/80/72/58/375807258.db2.gz HDPVWWCDRFKQFK-PMUMKWKESA-N 2 2 285.435 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000192942580 375807264 /nfs/dbraw/zinc/80/72/64/375807264.db2.gz HDPVWWCDRFKQFK-PMUMKWKESA-N 2 2 285.435 3.148 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000336706445 375912103 /nfs/dbraw/zinc/91/21/03/375912103.db2.gz IODREOFKGKOEEJ-YOEHRIQHSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000193668760 375906440 /nfs/dbraw/zinc/90/64/40/375906440.db2.gz UKTKBJIUXXLDLV-ZFWWWQNUSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000193668760 375906444 /nfs/dbraw/zinc/90/64/44/375906444.db2.gz UKTKBJIUXXLDLV-ZFWWWQNUSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000336706445 375912098 /nfs/dbraw/zinc/91/20/98/375912098.db2.gz IODREOFKGKOEEJ-YOEHRIQHSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194062608 375956355 /nfs/dbraw/zinc/95/63/55/375956355.db2.gz IMHRUNAVQLZCDX-GUYCJALGSA-N 2 2 288.435 3.367 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435272 376004093 /nfs/dbraw/zinc/00/40/93/376004093.db2.gz UVSNNFRNLQBBSY-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435272 376004102 /nfs/dbraw/zinc/00/41/02/376004102.db2.gz UVSNNFRNLQBBSY-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435272 376004108 /nfs/dbraw/zinc/00/41/08/376004108.db2.gz UVSNNFRNLQBBSY-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435272 376004115 /nfs/dbraw/zinc/00/41/15/376004115.db2.gz UVSNNFRNLQBBSY-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000336850466 376010605 /nfs/dbraw/zinc/01/06/05/376010605.db2.gz XLTPBCHBGAPDGW-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP CC[C@](C)([NH2+]CCCCn1cc[nH+]c1C)C(F)(F)F ZINC000535051624 376016233 /nfs/dbraw/zinc/01/62/33/376016233.db2.gz QYXHAXYRVJMWDA-LBPRGKRZSA-N 2 2 277.334 3.292 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC2(C)C)n1-c1ccccc1 ZINC000336829166 375988445 /nfs/dbraw/zinc/98/84/45/375988445.db2.gz AFAMTEDRXJIPPZ-INIZCTEOSA-N 2 2 269.392 3.459 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337175004 376116158 /nfs/dbraw/zinc/11/61/58/376116158.db2.gz HPOMVFMUKJBTAG-HOTGVXAUSA-N 2 2 277.456 3.357 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337175004 376116161 /nfs/dbraw/zinc/11/61/61/376116161.db2.gz HPOMVFMUKJBTAG-HOTGVXAUSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000538062668 376219508 /nfs/dbraw/zinc/21/95/08/376219508.db2.gz UAHOJTDAAQBEFE-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000538062668 376219509 /nfs/dbraw/zinc/21/95/09/376219509.db2.gz UAHOJTDAAQBEFE-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337469496 376222949 /nfs/dbraw/zinc/22/29/49/376222949.db2.gz NBFORFPLAPBUNN-SJORKVTESA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337469496 376222954 /nfs/dbraw/zinc/22/29/54/376222954.db2.gz NBFORFPLAPBUNN-SJORKVTESA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000221913322 376223709 /nfs/dbraw/zinc/22/37/09/376223709.db2.gz QAMJPTPXXHDEKU-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000221913322 376223714 /nfs/dbraw/zinc/22/37/14/376223714.db2.gz QAMJPTPXXHDEKU-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000222181496 376231431 /nfs/dbraw/zinc/23/14/31/376231431.db2.gz GAQRADVMSHULRV-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000222181496 376231437 /nfs/dbraw/zinc/23/14/37/376231437.db2.gz GAQRADVMSHULRV-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224278210 376273996 /nfs/dbraw/zinc/27/39/96/376273996.db2.gz MNSIHPJNHGNGPY-NVXWUHKLSA-N 2 2 292.492 3.412 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCC(F)(F)C1 ZINC000338284900 376314516 /nfs/dbraw/zinc/31/45/16/376314516.db2.gz ZYFBITPAQPAUMC-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCC(F)(F)C1 ZINC000338284900 376314519 /nfs/dbraw/zinc/31/45/19/376314519.db2.gz ZYFBITPAQPAUMC-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1(C)C ZINC000539494240 376314562 /nfs/dbraw/zinc/31/45/62/376314562.db2.gz CDJSKRORKSVRLS-NUEKZKHPSA-N 2 2 282.472 3.043 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1(C)C ZINC000539494240 376314575 /nfs/dbraw/zinc/31/45/75/376314575.db2.gz CDJSKRORKSVRLS-NUEKZKHPSA-N 2 2 282.472 3.043 20 0 CGADLP CC[N@H+](CC[NH2+]CC[C@@H](C)c1ccccc1)C1CC1 ZINC000225130801 376294792 /nfs/dbraw/zinc/29/47/92/376294792.db2.gz JAHLUIWRCZTFTO-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](CC[NH2+]CC[C@@H](C)c1ccccc1)C1CC1 ZINC000225130801 376294803 /nfs/dbraw/zinc/29/48/03/376294803.db2.gz JAHLUIWRCZTFTO-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000539218262 376298478 /nfs/dbraw/zinc/29/84/78/376298478.db2.gz QLUNZTUCHKUBOB-KBPBESRZSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000539218262 376298483 /nfs/dbraw/zinc/29/84/83/376298483.db2.gz QLUNZTUCHKUBOB-KBPBESRZSA-N 2 2 280.843 3.202 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000338264600 376303394 /nfs/dbraw/zinc/30/33/94/376303394.db2.gz UWBCUBCLVZXQLX-UHFFFAOYSA-N 2 2 288.435 3.213 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000338264600 376303398 /nfs/dbraw/zinc/30/33/98/376303398.db2.gz UWBCUBCLVZXQLX-UHFFFAOYSA-N 2 2 288.435 3.213 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157141 376361377 /nfs/dbraw/zinc/36/13/77/376361377.db2.gz BCICKJNMJCKHSL-IZIZEDOESA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157141 376361380 /nfs/dbraw/zinc/36/13/80/376361380.db2.gz BCICKJNMJCKHSL-IZIZEDOESA-N 2 2 286.463 3.427 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226709192 376369873 /nfs/dbraw/zinc/36/98/73/376369873.db2.gz BPMZERMWBUNUDH-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226709192 376369882 /nfs/dbraw/zinc/36/98/82/376369882.db2.gz BPMZERMWBUNUDH-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP c1cn(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000540576053 376382671 /nfs/dbraw/zinc/38/26/71/376382671.db2.gz SGDRBVTVHZYGRT-IAGOWNOFSA-N 2 2 269.392 3.057 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1OC ZINC000540592261 376384699 /nfs/dbraw/zinc/38/46/99/376384699.db2.gz XVIJTDVHVFXDJP-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1OC ZINC000540592261 376384701 /nfs/dbraw/zinc/38/47/01/376384701.db2.gz XVIJTDVHVFXDJP-UAGQMJEPSA-N 2 2 294.483 3.187 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462657 376561052 /nfs/dbraw/zinc/56/10/52/376561052.db2.gz JHMICSOXUCRJJW-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231462657 376561063 /nfs/dbraw/zinc/56/10/63/376561063.db2.gz JHMICSOXUCRJJW-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000338781980 376532736 /nfs/dbraw/zinc/53/27/36/376532736.db2.gz BTNYJBYDUIGDSC-ZIAGYGMSSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000230766889 376540754 /nfs/dbraw/zinc/54/07/54/376540754.db2.gz ZJGZDUQUSPZRRN-HZPDHXFCSA-N 2 2 263.429 3.468 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCCCC1 ZINC000542475061 376547668 /nfs/dbraw/zinc/54/76/68/376547668.db2.gz SLUQRTPYSWEEFJ-WBVHZDCISA-N 2 2 282.472 3.046 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCCCC1 ZINC000542475061 376547676 /nfs/dbraw/zinc/54/76/76/376547676.db2.gz SLUQRTPYSWEEFJ-WBVHZDCISA-N 2 2 282.472 3.046 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702410 376570744 /nfs/dbraw/zinc/57/07/44/376570744.db2.gz VMFZZAAHGHXHDR-ZRUQZJFASA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702410 376570747 /nfs/dbraw/zinc/57/07/47/376570747.db2.gz VMFZZAAHGHXHDR-ZRUQZJFASA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702410 376570750 /nfs/dbraw/zinc/57/07/50/376570750.db2.gz VMFZZAAHGHXHDR-ZRUQZJFASA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702410 376570754 /nfs/dbraw/zinc/57/07/54/376570754.db2.gz VMFZZAAHGHXHDR-ZRUQZJFASA-N 2 2 294.389 3.252 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000542776971 376577341 /nfs/dbraw/zinc/57/73/41/376577341.db2.gz AFCJMOPIMVROPF-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000542776971 376577347 /nfs/dbraw/zinc/57/73/47/376577347.db2.gz AFCJMOPIMVROPF-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000542776971 376577354 /nfs/dbraw/zinc/57/73/54/376577354.db2.gz AFCJMOPIMVROPF-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000542776971 376577361 /nfs/dbraw/zinc/57/73/61/376577361.db2.gz AFCJMOPIMVROPF-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000232551537 376581880 /nfs/dbraw/zinc/58/18/80/376581880.db2.gz YJGCYUXIYXTFQU-ADKAHSJRSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000232551537 376581885 /nfs/dbraw/zinc/58/18/85/376581885.db2.gz YJGCYUXIYXTFQU-ADKAHSJRSA-N 2 2 272.436 3.285 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000232982558 376591853 /nfs/dbraw/zinc/59/18/53/376591853.db2.gz MBDZPVWWZIOHHC-NSHDSACASA-N 2 2 272.845 3.269 20 0 CGADLP COC1(CC[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032642 376637229 /nfs/dbraw/zinc/63/72/29/376637229.db2.gz MSCFQUHEXPRORU-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032642 376637240 /nfs/dbraw/zinc/63/72/40/376637240.db2.gz MSCFQUHEXPRORU-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[NH+]2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032642 376637250 /nfs/dbraw/zinc/63/72/50/376637250.db2.gz MSCFQUHEXPRORU-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[NH+]2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032642 376637259 /nfs/dbraw/zinc/63/72/59/376637259.db2.gz MSCFQUHEXPRORU-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[NH+]2CCCCC2)C1 ZINC000235386772 376638997 /nfs/dbraw/zinc/63/89/97/376638997.db2.gz BYKUUMVTAJFVBY-GOEBONIOSA-N 2 2 250.430 3.054 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1C(C)C ZINC000339066746 376657908 /nfs/dbraw/zinc/65/79/08/376657908.db2.gz FBOLZQUDDWEWGG-KBPBESRZSA-N 2 2 293.480 3.291 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1C(C)C ZINC000339066746 376657916 /nfs/dbraw/zinc/65/79/16/376657916.db2.gz FBOLZQUDDWEWGG-KBPBESRZSA-N 2 2 293.480 3.291 20 0 CGADLP C[N@H+](CC[NH2+]C[C@H]1CC=CCC1)Cc1ccccc1 ZINC000237149093 376732815 /nfs/dbraw/zinc/73/28/15/376732815.db2.gz ZANKVMRECUSKHF-INIZCTEOSA-N 2 2 258.409 3.064 20 0 CGADLP C[N@@H+](CC[NH2+]C[C@H]1CC=CCC1)Cc1ccccc1 ZINC000237149093 376732823 /nfs/dbraw/zinc/73/28/23/376732823.db2.gz ZANKVMRECUSKHF-INIZCTEOSA-N 2 2 258.409 3.064 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157752479 542139114 /nfs/dbraw/zinc/13/91/14/542139114.db2.gz CPGJZHUKDYBVSM-GOEBONIOSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157752479 542139119 /nfs/dbraw/zinc/13/91/19/542139119.db2.gz CPGJZHUKDYBVSM-GOEBONIOSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CCC[C@H]4CCC[C@H]43)c[nH+]c2c1 ZINC000245555046 376851347 /nfs/dbraw/zinc/85/13/47/376851347.db2.gz HWXJXXYXHRVERI-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccn2c(C[N@H+]3CCC[C@H]4CCC[C@H]43)c[nH+]c2c1 ZINC000245555046 376851363 /nfs/dbraw/zinc/85/13/63/376851363.db2.gz HWXJXXYXHRVERI-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP C1=CC[C@@H](C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000245551951 376851398 /nfs/dbraw/zinc/85/13/98/376851398.db2.gz CEOBPAGFFSCGHH-IAGOWNOFSA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@@H](C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000245551951 376851404 /nfs/dbraw/zinc/85/14/04/376851404.db2.gz CEOBPAGFFSCGHH-IAGOWNOFSA-N 2 2 262.441 3.293 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000340175904 376935019 /nfs/dbraw/zinc/93/50/19/376935019.db2.gz JOCBEYRNNDWWQD-UONOGXRCSA-N 2 2 269.392 3.500 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340175902 376936128 /nfs/dbraw/zinc/93/61/28/376936128.db2.gz JOCBEYRNNDWWQD-KBPBESRZSA-N 2 2 269.392 3.500 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000557697555 376952498 /nfs/dbraw/zinc/95/24/98/376952498.db2.gz CUDKRTJHIONTFO-OWCLPIDISA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000557697555 376952503 /nfs/dbraw/zinc/95/25/03/376952503.db2.gz CUDKRTJHIONTFO-OWCLPIDISA-N 2 2 261.413 3.174 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000340371744 377026226 /nfs/dbraw/zinc/02/62/26/377026226.db2.gz HICCKBYPZQLWQF-PKOBYXMFSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000340371744 377026230 /nfs/dbraw/zinc/02/62/30/377026230.db2.gz HICCKBYPZQLWQF-PKOBYXMFSA-N 2 2 295.430 3.245 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000558389578 377000065 /nfs/dbraw/zinc/00/00/65/377000065.db2.gz VREDWWYXLRHCKY-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000558389578 377000077 /nfs/dbraw/zinc/00/00/77/377000077.db2.gz VREDWWYXLRHCKY-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000558401171 377001933 /nfs/dbraw/zinc/00/19/33/377001933.db2.gz GATDARFMXFSSDV-ARJAWSKDSA-N 2 2 294.389 3.440 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518925 377115549 /nfs/dbraw/zinc/11/55/49/377115549.db2.gz JZVKYAUEJGQDHP-VYDXJSESSA-N 2 2 290.451 3.053 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518925 377115552 /nfs/dbraw/zinc/11/55/52/377115552.db2.gz JZVKYAUEJGQDHP-VYDXJSESSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1occc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000340445303 377063387 /nfs/dbraw/zinc/06/33/87/377063387.db2.gz UFKXDOKVQNVUEZ-UHFFFAOYSA-N 2 2 285.322 3.203 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767543 377085700 /nfs/dbraw/zinc/08/57/00/377085700.db2.gz PUCOMFSYMYRRSU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767543 377085708 /nfs/dbraw/zinc/08/57/08/377085708.db2.gz PUCOMFSYMYRRSU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767543 377085715 /nfs/dbraw/zinc/08/57/15/377085715.db2.gz PUCOMFSYMYRRSU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767543 377085724 /nfs/dbraw/zinc/08/57/24/377085724.db2.gz PUCOMFSYMYRRSU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000560343103 377141350 /nfs/dbraw/zinc/14/13/50/377141350.db2.gz GZODNNBIZBISEU-JSGCOSHPSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000560343103 377141359 /nfs/dbraw/zinc/14/13/59/377141359.db2.gz GZODNNBIZBISEU-JSGCOSHPSA-N 2 2 252.427 3.131 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CC(C)C ZINC000247020805 377141799 /nfs/dbraw/zinc/14/17/99/377141799.db2.gz LSSWJVDOTSGKOR-VSZNYVQBSA-N 3 2 297.531 3.061 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247020805 377141804 /nfs/dbraw/zinc/14/18/04/377141804.db2.gz LSSWJVDOTSGKOR-VSZNYVQBSA-N 3 2 297.531 3.061 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248034750 377261033 /nfs/dbraw/zinc/26/10/33/377261033.db2.gz RIPRFYQGWZEZTH-FUHWJXTLSA-N 2 2 289.467 3.318 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248034750 377261041 /nfs/dbraw/zinc/26/10/41/377261041.db2.gz RIPRFYQGWZEZTH-FUHWJXTLSA-N 2 2 289.467 3.318 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338686031 284635294 /nfs/dbraw/zinc/63/52/94/284635294.db2.gz BPOMIDSGRYYFBT-HYVNUMGLSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nccs1 ZINC000093516624 249038054 /nfs/dbraw/zinc/03/80/54/249038054.db2.gz CTWPXZXECYZTNU-RWMBFGLXSA-N 2 2 267.442 3.105 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000249795093 377534746 /nfs/dbraw/zinc/53/47/46/377534746.db2.gz FIVWOAOHCUINFH-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000249795093 377534752 /nfs/dbraw/zinc/53/47/52/377534752.db2.gz FIVWOAOHCUINFH-YOEHRIQHSA-N 2 2 276.424 3.177 20 0 CGADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000360953548 249112605 /nfs/dbraw/zinc/11/26/05/249112605.db2.gz HLJVKBFBMMOFLU-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422908987 249127671 /nfs/dbraw/zinc/12/76/71/249127671.db2.gz DZXMFMJQOVWRCX-OJDYBEQGSA-N 2 2 296.842 3.146 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1Cl ZINC000313286069 249091335 /nfs/dbraw/zinc/09/13/35/249091335.db2.gz UKCSRWOBIAHMCE-JTQLQIEISA-N 2 2 281.762 3.106 20 0 CGADLP CC[N@H+](Cc1cc(C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000459567004 249157038 /nfs/dbraw/zinc/15/70/38/249157038.db2.gz VNTVQKFQOGVGCU-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC[N@@H+](Cc1cc(C)on1)Cc1ccc(C[NH+](C)C)cc1 ZINC000459567004 249157041 /nfs/dbraw/zinc/15/70/41/249157041.db2.gz VNTVQKFQOGVGCU-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000250586556 377563995 /nfs/dbraw/zinc/56/39/95/377563995.db2.gz NYXGWFLCYDDQBR-YOEHRIQHSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000250586556 377564002 /nfs/dbraw/zinc/56/40/02/377564002.db2.gz NYXGWFLCYDDQBR-YOEHRIQHSA-N 2 2 276.424 3.176 20 0 CGADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000515670803 249218564 /nfs/dbraw/zinc/21/85/64/249218564.db2.gz XPVSSNWMVJCICZ-UHFFFAOYSA-N 2 2 288.439 3.160 20 0 CGADLP Cc1[nH]c(CNc2ccc(C[NH+](C)C)c(C)c2)[nH+]c1C ZINC000517246593 249261405 /nfs/dbraw/zinc/26/14/05/249261405.db2.gz BDEQGDYKXCHJNB-UHFFFAOYSA-N 2 2 272.396 3.009 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CC(C)(C)C)[NH+](C)C)cc1 ZINC000517525734 249266805 /nfs/dbraw/zinc/26/68/05/249266805.db2.gz QTJUOTLUSKGMPA-INIZCTEOSA-N 2 2 262.441 3.487 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252095171 377612352 /nfs/dbraw/zinc/61/23/52/377612352.db2.gz HRGVUXUPRYBOIX-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252095171 377612357 /nfs/dbraw/zinc/61/23/57/377612357.db2.gz HRGVUXUPRYBOIX-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000574465242 377667639 /nfs/dbraw/zinc/66/76/39/377667639.db2.gz HKMQIAFYWZUVSE-GJZGRUSLSA-N 2 2 280.481 3.389 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]CCC[NH+]1CCC1 ZINC000574464838 377667771 /nfs/dbraw/zinc/66/77/71/377667771.db2.gz VMSRMTQMCYIMDQ-UHFFFAOYSA-N 2 2 278.783 3.272 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000342608893 377689068 /nfs/dbraw/zinc/68/90/68/377689068.db2.gz ZFJRUBCQNVQSOH-GOSISDBHSA-N 2 2 298.434 3.095 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000342608893 377689073 /nfs/dbraw/zinc/68/90/73/377689073.db2.gz ZFJRUBCQNVQSOH-GOSISDBHSA-N 2 2 298.434 3.095 20 0 CGADLP CCC1CC([NH2+]CCn2c(C)[nH+]c3ccccc32)C1 ZINC000342634511 377700557 /nfs/dbraw/zinc/70/05/57/377700557.db2.gz YVNKAWDMNOSMSE-UHFFFAOYSA-N 2 2 257.381 3.123 20 0 CGADLP COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000255840209 377781170 /nfs/dbraw/zinc/78/11/70/377781170.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000255840209 377781179 /nfs/dbraw/zinc/78/11/79/377781179.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000255840209 377781185 /nfs/dbraw/zinc/78/11/85/377781185.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000255840209 377781197 /nfs/dbraw/zinc/78/11/97/377781197.db2.gz BOGDNQRNEAHPAA-ZKVFWIFDSA-N 2 2 288.435 3.123 20 0 CGADLP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000261552530 377815432 /nfs/dbraw/zinc/81/54/32/377815432.db2.gz RPJWWUXGFKKZHC-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP Cn1cc[nH+]c1-c1ccc(C2(C[NH3+])CCCCC2)cc1 ZINC000258408473 377798958 /nfs/dbraw/zinc/79/89/58/377798958.db2.gz BNZYXIPPGHTPAH-UHFFFAOYSA-N 2 2 269.392 3.248 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261930604 377869802 /nfs/dbraw/zinc/86/98/02/377869802.db2.gz LMYFTCCGXONIOF-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261930604 377869806 /nfs/dbraw/zinc/86/98/06/377869806.db2.gz LMYFTCCGXONIOF-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000261948734 377871121 /nfs/dbraw/zinc/87/11/21/377871121.db2.gz NQPPZLOWRPDLKP-ZDUSSCGKSA-N 2 2 264.388 3.133 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000261948734 377871123 /nfs/dbraw/zinc/87/11/23/377871123.db2.gz NQPPZLOWRPDLKP-ZDUSSCGKSA-N 2 2 264.388 3.133 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262049703 377881962 /nfs/dbraw/zinc/88/19/62/377881962.db2.gz QDESWIWDBSVERU-BLLLJJGKSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262049703 377881971 /nfs/dbraw/zinc/88/19/71/377881971.db2.gz QDESWIWDBSVERU-BLLLJJGKSA-N 2 2 289.448 3.289 20 0 CGADLP c1ccc2nc(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000262059314 377884370 /nfs/dbraw/zinc/88/43/70/377884370.db2.gz DULNXACJKPMTPZ-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000262141887 377889048 /nfs/dbraw/zinc/88/90/48/377889048.db2.gz MNJYQFPXESGPJF-HLLBOEOZSA-N 2 2 298.430 3.257 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000261830298 377858869 /nfs/dbraw/zinc/85/88/69/377858869.db2.gz USYWMBLDAHRZMN-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000261830298 377858872 /nfs/dbraw/zinc/85/88/72/377858872.db2.gz USYWMBLDAHRZMN-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000343156090 377915115 /nfs/dbraw/zinc/91/51/15/377915115.db2.gz XNGYSESVVHZPRN-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000343156090 377915120 /nfs/dbraw/zinc/91/51/20/377915120.db2.gz XNGYSESVVHZPRN-UHFFFAOYSA-N 2 2 284.403 3.126 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000575795213 377990787 /nfs/dbraw/zinc/99/07/87/377990787.db2.gz YSDGBNUSHXSWJW-WMZOPIPTSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000265985980 190220540 /nfs/dbraw/zinc/22/05/40/190220540.db2.gz HMGNEMFJHHUKRD-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@H+]1C ZINC000265985980 190220541 /nfs/dbraw/zinc/22/05/41/190220541.db2.gz HMGNEMFJHHUKRD-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985980 190220542 /nfs/dbraw/zinc/22/05/42/190220542.db2.gz HMGNEMFJHHUKRD-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985980 190220543 /nfs/dbraw/zinc/22/05/43/190220543.db2.gz HMGNEMFJHHUKRD-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP CC(C)[NH2+]C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267435818 378039478 /nfs/dbraw/zinc/03/94/78/378039478.db2.gz XRFLLGONYVPKGN-UHFFFAOYSA-N 2 2 287.329 3.067 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343560942 378021086 /nfs/dbraw/zinc/02/10/86/378021086.db2.gz HMSIMIFQHTUNGJ-MAUKXSAKSA-N 2 2 290.451 3.043 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343560942 378021092 /nfs/dbraw/zinc/02/10/92/378021092.db2.gz HMSIMIFQHTUNGJ-MAUKXSAKSA-N 2 2 290.451 3.043 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000578913708 378112687 /nfs/dbraw/zinc/11/26/87/378112687.db2.gz ZLHUAYUFTPRYRS-FXECBMLZSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000578913708 378112691 /nfs/dbraw/zinc/11/26/91/378112691.db2.gz ZLHUAYUFTPRYRS-FXECBMLZSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000344184459 378162380 /nfs/dbraw/zinc/16/23/80/378162380.db2.gz ATPUXXCZACPFNH-PXAZEXFGSA-N 2 2 285.435 3.133 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000344184459 378162383 /nfs/dbraw/zinc/16/23/83/378162383.db2.gz ATPUXXCZACPFNH-PXAZEXFGSA-N 2 2 285.435 3.133 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000579665703 378181075 /nfs/dbraw/zinc/18/10/75/378181075.db2.gz VANVTFUSCQESTC-BBRMVZONSA-N 2 2 285.366 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000579665703 378181080 /nfs/dbraw/zinc/18/10/80/378181080.db2.gz VANVTFUSCQESTC-BBRMVZONSA-N 2 2 285.366 3.036 20 0 CGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c(C)n2C)C(C)C)cc1 ZINC000582192256 378293094 /nfs/dbraw/zinc/29/30/94/378293094.db2.gz DFAGWTFNOXCVKV-QGZVFWFLSA-N 2 2 287.407 3.224 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000583570607 378332254 /nfs/dbraw/zinc/33/22/54/378332254.db2.gz AJYTVOVJYFKUFT-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000583570607 378332258 /nfs/dbraw/zinc/33/22/58/378332258.db2.gz AJYTVOVJYFKUFT-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000583570608 378332642 /nfs/dbraw/zinc/33/26/42/378332642.db2.gz AJYTVOVJYFKUFT-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000583570608 378332647 /nfs/dbraw/zinc/33/26/47/378332647.db2.gz AJYTVOVJYFKUFT-GJZGRUSLSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000270881698 378409462 /nfs/dbraw/zinc/40/94/62/378409462.db2.gz NRDUGZZLVSLJJU-PBHICJAKSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000270881698 378409469 /nfs/dbraw/zinc/40/94/69/378409469.db2.gz NRDUGZZLVSLJJU-PBHICJAKSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000270642624 378381080 /nfs/dbraw/zinc/38/10/80/378381080.db2.gz JPRDBAJTIWNUCW-UHFFFAOYSA-N 2 2 291.345 3.134 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000270642624 378381083 /nfs/dbraw/zinc/38/10/83/378381083.db2.gz JPRDBAJTIWNUCW-UHFFFAOYSA-N 2 2 291.345 3.134 20 0 CGADLP Cc1nc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc[nH+]1 ZINC000346175525 378491942 /nfs/dbraw/zinc/49/19/42/378491942.db2.gz AKKMBFCYKYXEHB-KRWDZBQOSA-N 2 2 298.434 3.354 20 0 CGADLP CO[C@H](C)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000346195263 378498932 /nfs/dbraw/zinc/49/89/32/378498932.db2.gz HSGINQDJRBVTOM-CYBMUJFWSA-N 2 2 293.436 3.179 20 0 CGADLP CO[C@H](C)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000346195263 378498935 /nfs/dbraw/zinc/49/89/35/378498935.db2.gz HSGINQDJRBVTOM-CYBMUJFWSA-N 2 2 293.436 3.179 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000272005441 378543923 /nfs/dbraw/zinc/54/39/23/378543923.db2.gz SIFBMANIRINCEH-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000272005441 378543928 /nfs/dbraw/zinc/54/39/28/378543928.db2.gz SIFBMANIRINCEH-INIZCTEOSA-N 2 2 273.355 3.249 20 0 CGADLP CC(C)c1nc(NCCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000346593658 378637625 /nfs/dbraw/zinc/63/76/25/378637625.db2.gz OODJWPIROXCCPR-UHFFFAOYSA-N 2 2 290.455 3.088 20 0 CGADLP CC(C)c1nc(NCCC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000346593658 378637630 /nfs/dbraw/zinc/63/76/30/378637630.db2.gz OODJWPIROXCCPR-UHFFFAOYSA-N 2 2 290.455 3.088 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272595693 378673660 /nfs/dbraw/zinc/67/36/60/378673660.db2.gz UINXDKVNMKRBKT-QWHCGFSZSA-N 2 2 296.374 3.492 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272595693 378673665 /nfs/dbraw/zinc/67/36/65/378673665.db2.gz UINXDKVNMKRBKT-QWHCGFSZSA-N 2 2 296.374 3.492 20 0 CGADLP CC[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)OC ZINC000637953584 378645015 /nfs/dbraw/zinc/64/50/15/378645015.db2.gz VLNAKPIBSJWGFU-WCXIOVBPSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)OC ZINC000637953584 378645021 /nfs/dbraw/zinc/64/50/21/378645021.db2.gz VLNAKPIBSJWGFU-WCXIOVBPSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645063 /nfs/dbraw/zinc/64/50/63/378645063.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645070 /nfs/dbraw/zinc/64/50/70/378645070.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645077 /nfs/dbraw/zinc/64/50/77/378645077.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953585 378645086 /nfs/dbraw/zinc/64/50/86/378645086.db2.gz VLNAKPIBSJWGFU-YYIAUSFCSA-N 2 2 282.472 3.139 20 0 CGADLP c1csc([C@@H](C[NH2+]CCC[C@@H]2CCO2)[NH+]2CCCC2)c1 ZINC000638286473 378756585 /nfs/dbraw/zinc/75/65/85/378756585.db2.gz NFBHOQDGVJRAJF-HUUCEWRRSA-N 2 2 294.464 3.044 20 0 CGADLP CSCCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000348036198 378761731 /nfs/dbraw/zinc/76/17/31/378761731.db2.gz FVPDBAGDUKMULL-UHFFFAOYSA-N 2 2 252.427 3.055 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000348088971 378786238 /nfs/dbraw/zinc/78/62/38/378786238.db2.gz SYOWSERKFVUOLD-INIZCTEOSA-N 2 2 290.476 3.136 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000348088971 378786243 /nfs/dbraw/zinc/78/62/43/378786243.db2.gz SYOWSERKFVUOLD-INIZCTEOSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]CC3CCSCC3)[nH]c2c1 ZINC000638442050 378804376 /nfs/dbraw/zinc/80/43/76/378804376.db2.gz NLHGMNCMSPUCJO-UHFFFAOYSA-N 2 2 289.448 3.228 20 0 CGADLP c1c(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)[nH+]c2ccccn12 ZINC000348247757 378862414 /nfs/dbraw/zinc/86/24/14/378862414.db2.gz RJBRWTZRYFLQNR-SJLPKXTDSA-N 2 2 291.398 3.270 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000348285944 378886225 /nfs/dbraw/zinc/88/62/25/378886225.db2.gz UNOGMAQZYQHMEJ-UHFFFAOYSA-N 2 2 294.402 3.031 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1cc(C2CC2)no1)C(C)C ZINC000638734406 378893215 /nfs/dbraw/zinc/89/32/15/378893215.db2.gz LMBWBBJMKSOQGY-UHFFFAOYSA-N 2 2 279.428 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348318514 378904027 /nfs/dbraw/zinc/90/40/27/378904027.db2.gz YLSGVSXLYIODSR-BPNCWPANSA-N 2 2 277.318 3.177 20 0 CGADLP Cc1cccc(NC[C@@H](c2ccsc2)[NH+](C)C)[nH+]1 ZINC000274685677 378876098 /nfs/dbraw/zinc/87/60/98/378876098.db2.gz YKVNVYDYVSEXQJ-ZDUSSCGKSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638836551 378930049 /nfs/dbraw/zinc/93/00/49/378930049.db2.gz IAGYJXAEUMSYLO-VNHYZAJKSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638836551 378930052 /nfs/dbraw/zinc/93/00/52/378930052.db2.gz IAGYJXAEUMSYLO-VNHYZAJKSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348395835 378939135 /nfs/dbraw/zinc/93/91/35/378939135.db2.gz KAKZVHZDCPBZNQ-NWANDNLSSA-N 2 2 273.355 3.414 20 0 CGADLP FC(F)(F)CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348331204 378912260 /nfs/dbraw/zinc/91/22/60/378912260.db2.gz QNNFAOWGSUKAHB-GJZGRUSLSA-N 2 2 298.352 3.003 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638905570 378948845 /nfs/dbraw/zinc/94/88/45/378948845.db2.gz SUYVMULIWSPYFZ-SJORKVTESA-N 2 2 294.483 3.212 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000347108573 218124453 /nfs/dbraw/zinc/12/44/53/218124453.db2.gz OQBJZMYFHUWRCU-NSHDSACASA-N 2 2 294.345 3.220 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000347108573 218124455 /nfs/dbraw/zinc/12/44/55/218124455.db2.gz OQBJZMYFHUWRCU-NSHDSACASA-N 2 2 294.345 3.220 20 0 CGADLP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000639054347 378988028 /nfs/dbraw/zinc/98/80/28/378988028.db2.gz OZCRLSCBNDNIBY-BFJAYTPKSA-N 2 2 278.465 3.161 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)o1 ZINC000278636417 194078664 /nfs/dbraw/zinc/07/86/64/194078664.db2.gz HFVYAFKLAOXOEF-ZDUSSCGKSA-N 2 2 258.365 3.493 20 0 CGADLP CC1(C)CCC[C@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835759 379073191 /nfs/dbraw/zinc/07/31/91/379073191.db2.gz UKBKWPCTZMUGDM-CQSZACIVSA-N 2 2 270.380 3.317 20 0 CGADLP c1ccc2[nH+]c(N3CCC([NH+]4CCCCC4)CC3)[nH]c2c1 ZINC000277185654 379093062 /nfs/dbraw/zinc/09/30/62/379093062.db2.gz VZWVSBHXBCPXLG-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP Cc1scc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000639177536 379095027 /nfs/dbraw/zinc/09/50/27/379095027.db2.gz UUJVDKFEZULTLE-CYBMUJFWSA-N 2 2 275.421 3.088 20 0 CGADLP Cc1scc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000639177536 379095042 /nfs/dbraw/zinc/09/50/42/379095042.db2.gz UUJVDKFEZULTLE-CYBMUJFWSA-N 2 2 275.421 3.088 20 0 CGADLP C[C@@H]1C[C@@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@@H+]1C ZINC000639211150 379145255 /nfs/dbraw/zinc/14/52/55/379145255.db2.gz RNLFDMXQXWOKRV-DOMZBBRYSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@@H]1C[C@@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@H+]1C ZINC000639211150 379145263 /nfs/dbraw/zinc/14/52/63/379145263.db2.gz RNLFDMXQXWOKRV-DOMZBBRYSA-N 2 2 259.397 3.244 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373116647 379226093 /nfs/dbraw/zinc/22/60/93/379226093.db2.gz YDDWARCBGCJHBT-MRXNPFEDSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373116647 379226101 /nfs/dbraw/zinc/22/61/01/379226101.db2.gz YDDWARCBGCJHBT-MRXNPFEDSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1F ZINC000373230185 379247316 /nfs/dbraw/zinc/24/73/16/379247316.db2.gz PVCXNABMWIVQAX-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1F ZINC000373230185 379247322 /nfs/dbraw/zinc/24/73/22/379247322.db2.gz PVCXNABMWIVQAX-OAHLLOKOSA-N 2 2 287.382 3.247 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373519221 379291654 /nfs/dbraw/zinc/29/16/54/379291654.db2.gz FGMLBKXUGWYCPH-FHERZECASA-N 2 2 288.435 3.363 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C)o1 ZINC000349413913 379272306 /nfs/dbraw/zinc/27/23/06/379272306.db2.gz GDWAGZIPCUMACQ-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C)o1 ZINC000349413913 379272316 /nfs/dbraw/zinc/27/23/16/379272316.db2.gz GDWAGZIPCUMACQ-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373522705 379293451 /nfs/dbraw/zinc/29/34/51/379293451.db2.gz NWJNUMIITQVTCH-IYXRBSQSSA-N 2 2 294.464 3.424 20 0 CGADLP C[C@H](c1cccs1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347576265 218278370 /nfs/dbraw/zinc/27/83/70/218278370.db2.gz ARVNLICRCKIDEU-LLVKDONJSA-N 2 2 295.477 3.459 20 0 CGADLP C[C@H](c1cccs1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347576265 218278372 /nfs/dbraw/zinc/27/83/72/218278372.db2.gz ARVNLICRCKIDEU-LLVKDONJSA-N 2 2 295.477 3.459 20 0 CGADLP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)[NH+]1CCCCC1 ZINC000349642661 379326766 /nfs/dbraw/zinc/32/67/66/379326766.db2.gz CFXYVZOIPFCTJS-LLVKDONJSA-N 2 2 287.860 3.151 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583030 218280171 /nfs/dbraw/zinc/28/01/71/218280171.db2.gz IZDLDHQACSLNDH-CHWSQXEVSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583030 218280172 /nfs/dbraw/zinc/28/01/72/218280172.db2.gz IZDLDHQACSLNDH-CHWSQXEVSA-N 2 2 281.469 3.215 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2F)CC1 ZINC000639379995 379340663 /nfs/dbraw/zinc/34/06/63/379340663.db2.gz VBIIDCQCSROBJW-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc(C)cs1 ZINC000347607192 218288940 /nfs/dbraw/zinc/28/89/40/218288940.db2.gz ACTOUOBOWXVHBI-ZIAGYGMSSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc(C)cs1 ZINC000347607192 218288942 /nfs/dbraw/zinc/28/89/42/218288942.db2.gz ACTOUOBOWXVHBI-ZIAGYGMSSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1cc(C)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000639453622 379403366 /nfs/dbraw/zinc/40/33/66/379403366.db2.gz OYFCLEIPEFPJDB-KRWDZBQOSA-N 2 2 287.451 3.067 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H](CO)c2ccccc2C)c(C)[nH+]1 ZINC000639597511 379499620 /nfs/dbraw/zinc/49/96/20/379499620.db2.gz KTLOPQLPSSQUBT-SFHVURJKSA-N 2 2 284.403 3.138 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)[nH]1 ZINC000266794474 190280771 /nfs/dbraw/zinc/28/07/71/190280771.db2.gz XXAOWQRPTCZJKH-UHFFFAOYSA-N 2 2 281.403 3.278 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCCCCC2)s1 ZINC000347653271 218308156 /nfs/dbraw/zinc/30/81/56/218308156.db2.gz RLCCAMDONAVALP-UHFFFAOYSA-N 2 2 281.469 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCCCCC2)s1 ZINC000347653271 218308159 /nfs/dbraw/zinc/30/81/59/218308159.db2.gz RLCCAMDONAVALP-UHFFFAOYSA-N 2 2 281.469 3.359 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639615890 379506754 /nfs/dbraw/zinc/50/67/54/379506754.db2.gz UETCIQDVTZYDRV-UHFFFAOYSA-N 2 2 297.393 3.444 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376765868 379599842 /nfs/dbraw/zinc/59/98/42/379599842.db2.gz BSLWONMMWSBYCE-KBPBESRZSA-N 2 2 261.413 3.135 20 0 CGADLP C[NH+]1CCC(Oc2ccc(CNc3cccc[nH+]3)cc2)CC1 ZINC000376468737 379561246 /nfs/dbraw/zinc/56/12/46/379561246.db2.gz WFPCJKJCFPYYSP-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP COc1cccc2c1CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000279000221 194246412 /nfs/dbraw/zinc/24/64/12/194246412.db2.gz RDOBFAAYQGLJLU-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP COc1cccc2c1CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000279000221 194246413 /nfs/dbraw/zinc/24/64/13/194246413.db2.gz RDOBFAAYQGLJLU-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000347680485 218319333 /nfs/dbraw/zinc/31/93/33/218319333.db2.gz WARGJZJALNZYEQ-OAHLLOKOSA-N 2 2 287.432 3.152 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000347680485 218319338 /nfs/dbraw/zinc/31/93/38/218319338.db2.gz WARGJZJALNZYEQ-OAHLLOKOSA-N 2 2 287.432 3.152 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000639987584 379676026 /nfs/dbraw/zinc/67/60/26/379676026.db2.gz FMPYGYGSQPVCSP-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640151940 379735272 /nfs/dbraw/zinc/73/52/72/379735272.db2.gz AKJXLHYBUSNRGO-CVEARBPZSA-N 2 2 282.378 3.300 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640151940 379735276 /nfs/dbraw/zinc/73/52/76/379735276.db2.gz AKJXLHYBUSNRGO-CVEARBPZSA-N 2 2 282.378 3.300 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377788512 379740452 /nfs/dbraw/zinc/74/04/52/379740452.db2.gz WZRRWXBLOBMEBH-GFCCVEGCSA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377788512 379740456 /nfs/dbraw/zinc/74/04/56/379740456.db2.gz WZRRWXBLOBMEBH-GFCCVEGCSA-N 2 2 295.308 3.076 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799458 379744207 /nfs/dbraw/zinc/74/42/07/379744207.db2.gz VCKRQYIAUDEYMT-CXAGYDPISA-N 2 2 295.430 3.497 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799458 379744213 /nfs/dbraw/zinc/74/42/13/379744213.db2.gz VCKRQYIAUDEYMT-CXAGYDPISA-N 2 2 295.430 3.497 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000377803785 379744637 /nfs/dbraw/zinc/74/46/37/379744637.db2.gz ZUQVLCRETUSGJA-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)c1 ZINC000377803785 379744642 /nfs/dbraw/zinc/74/46/42/379744642.db2.gz ZUQVLCRETUSGJA-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000377619559 379705843 /nfs/dbraw/zinc/70/58/43/379705843.db2.gz VBOKBFMHZZBDEO-AWEZNQCLSA-N 2 2 272.396 3.039 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347755501 218345566 /nfs/dbraw/zinc/34/55/66/218345566.db2.gz PMIUJKHXFQNALJ-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347755501 218345568 /nfs/dbraw/zinc/34/55/68/218345568.db2.gz PMIUJKHXFQNALJ-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352541187 379848597 /nfs/dbraw/zinc/84/85/97/379848597.db2.gz UYMRTENTTQJVOI-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352541187 379848601 /nfs/dbraw/zinc/84/86/01/379848601.db2.gz UYMRTENTTQJVOI-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(C)c2ccccc2C1 ZINC000347794661 218359185 /nfs/dbraw/zinc/35/91/85/218359185.db2.gz ZEVWMYIHMZZUEY-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000347794661 218359188 /nfs/dbraw/zinc/35/91/88/218359188.db2.gz ZEVWMYIHMZZUEY-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Fc1cccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000378443783 379826662 /nfs/dbraw/zinc/82/66/62/379826662.db2.gz UEVLUUZRASINMT-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389207149 379896189 /nfs/dbraw/zinc/89/61/89/379896189.db2.gz AXKFBDMRQRHGOC-NSHDSACASA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389207149 379896191 /nfs/dbraw/zinc/89/61/91/379896191.db2.gz AXKFBDMRQRHGOC-NSHDSACASA-N 2 2 290.304 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000389810381 379902596 /nfs/dbraw/zinc/90/25/96/379902596.db2.gz FIVDAZKZPCKFNW-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000389810381 379902599 /nfs/dbraw/zinc/90/25/99/379902599.db2.gz FIVDAZKZPCKFNW-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000390596812 379906918 /nfs/dbraw/zinc/90/69/18/379906918.db2.gz UOYJHHKNSSOWMW-XLMAVXFVSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390596812 379906924 /nfs/dbraw/zinc/90/69/24/379906924.db2.gz UOYJHHKNSSOWMW-XLMAVXFVSA-N 2 2 290.451 3.053 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398975515 379932996 /nfs/dbraw/zinc/93/29/96/379932996.db2.gz YQNXKAJMCYXULU-OBJOEFQTSA-N 2 2 264.438 3.200 20 0 CGADLP Cc1scc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000399920813 379946433 /nfs/dbraw/zinc/94/64/33/379946433.db2.gz ZJLRBZDJTNCKGL-YGRLFVJLSA-N 2 2 264.438 3.080 20 0 CGADLP Cc1scc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000399920813 379946441 /nfs/dbraw/zinc/94/64/41/379946441.db2.gz ZJLRBZDJTNCKGL-YGRLFVJLSA-N 2 2 264.438 3.080 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@H]1CC[NH2+]C1 ZINC000400402945 379949179 /nfs/dbraw/zinc/94/91/79/379949179.db2.gz QREXWMBJXKZXNO-SFYZADRCSA-N 2 2 279.236 3.143 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000400532406 379950745 /nfs/dbraw/zinc/95/07/45/379950745.db2.gz SBOGKZSNSDAWGF-MJVIPROJSA-N 2 2 284.350 3.079 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000641387616 379996719 /nfs/dbraw/zinc/99/67/19/379996719.db2.gz GIESECGYTVTWLD-OAHLLOKOSA-N 2 2 287.451 3.301 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)cn1 ZINC000352973909 380061458 /nfs/dbraw/zinc/06/14/58/380061458.db2.gz DQYFDCHHPKIQET-OAHLLOKOSA-N 2 2 273.355 3.208 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)cn1 ZINC000352973907 380061845 /nfs/dbraw/zinc/06/18/45/380061845.db2.gz DQYFDCHHPKIQET-HNNXBMFYSA-N 2 2 273.355 3.208 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068469 /nfs/dbraw/zinc/06/84/69/380068469.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068471 /nfs/dbraw/zinc/06/84/71/380068471.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068475 /nfs/dbraw/zinc/06/84/75/380068475.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3csc4ccccc34)[C@@H]2C1 ZINC000352995779 380068481 /nfs/dbraw/zinc/06/84/81/380068481.db2.gz NVEPOBHIYDMABD-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000410345054 380088229 /nfs/dbraw/zinc/08/82/29/380088229.db2.gz NLCVKFCVAKRDSR-JKSUJKDBSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000410345054 380088234 /nfs/dbraw/zinc/08/82/34/380088234.db2.gz NLCVKFCVAKRDSR-JKSUJKDBSA-N 2 2 252.446 3.229 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC000410406794 380093300 /nfs/dbraw/zinc/09/33/00/380093300.db2.gz WCFKPUMFTJLMNX-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC000410406794 380093309 /nfs/dbraw/zinc/09/33/09/380093309.db2.gz WCFKPUMFTJLMNX-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC(C)C ZINC000410406794 380093315 /nfs/dbraw/zinc/09/33/15/380093315.db2.gz WCFKPUMFTJLMNX-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC(C)C ZINC000410406794 380093320 /nfs/dbraw/zinc/09/33/20/380093320.db2.gz WCFKPUMFTJLMNX-XHSDSOJGSA-N 2 2 252.446 3.227 20 0 CGADLP c1ccc2c(C[NH2+]C3CC[NH+](C4CC4)CC3)nsc2c1 ZINC000641792917 380107526 /nfs/dbraw/zinc/10/75/26/380107526.db2.gz XNIRQZLZRXCHCF-UHFFFAOYSA-N 2 2 287.432 3.013 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000641825464 380114270 /nfs/dbraw/zinc/11/42/70/380114270.db2.gz XQMVIZSDRWELHY-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000641825464 380114273 /nfs/dbraw/zinc/11/42/73/380114273.db2.gz XQMVIZSDRWELHY-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP CCc1ccc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000353263216 380196842 /nfs/dbraw/zinc/19/68/42/380196842.db2.gz SUXKQPJCVGZJHE-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000353263216 380196848 /nfs/dbraw/zinc/19/68/48/380196848.db2.gz SUXKQPJCVGZJHE-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000414399760 380223404 /nfs/dbraw/zinc/22/34/04/380223404.db2.gz VYMLKSBIUPTUOB-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)ccc1C(F)(F)F ZINC000414399760 380223407 /nfs/dbraw/zinc/22/34/07/380223407.db2.gz VYMLKSBIUPTUOB-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)[nH+]1 ZINC000353924520 380237632 /nfs/dbraw/zinc/23/76/32/380237632.db2.gz SILFDLMBEOITPB-IRXDYDNUSA-N 2 2 281.403 3.393 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501279 380323365 /nfs/dbraw/zinc/32/33/65/380323365.db2.gz BLHIPJRSOCBJDN-HIFRSBDPSA-N 2 2 294.826 3.285 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000643506763 380328242 /nfs/dbraw/zinc/32/82/42/380328242.db2.gz HWFPTVZYSCPLSM-RYUDHWBXSA-N 2 2 289.448 3.130 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508825 380332641 /nfs/dbraw/zinc/33/26/41/380332641.db2.gz AJYDTGHTSFGGBP-RHSMWYFYSA-N 2 2 284.403 3.354 20 0 CGADLP COCC1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000414513709 380288918 /nfs/dbraw/zinc/28/89/18/380288918.db2.gz PXNDKGWPGXLJFB-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cc(C)[nH+]c(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000643348270 380290926 /nfs/dbraw/zinc/29/09/26/380290926.db2.gz IDKAZAHTKVWYMJ-OAHLLOKOSA-N 2 2 267.376 3.453 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)on1 ZINC000643455262 380308355 /nfs/dbraw/zinc/30/83/55/380308355.db2.gz RALLMJQXBDDWEJ-UONOGXRCSA-N 2 2 279.428 3.198 20 0 CGADLP COc1ccc(C[N@H+](C[C@@H]([NH3+])CC(C)C)C2CC2)cc1 ZINC000414685181 380372180 /nfs/dbraw/zinc/37/21/80/380372180.db2.gz YHVNUOOBFWHVGI-HNNXBMFYSA-N 2 2 276.424 3.033 20 0 CGADLP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(C)C)C2CC2)cc1 ZINC000414685181 380372188 /nfs/dbraw/zinc/37/21/88/380372188.db2.gz YHVNUOOBFWHVGI-HNNXBMFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000414685273 380372450 /nfs/dbraw/zinc/37/24/50/380372450.db2.gz YTOSTCLYCOBXML-AAEUAGOBSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000414685273 380372455 /nfs/dbraw/zinc/37/24/55/380372455.db2.gz YTOSTCLYCOBXML-AAEUAGOBSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000414684560 380372837 /nfs/dbraw/zinc/37/28/37/380372837.db2.gz VXYGMJIKCQAPAO-QGZVFWFLSA-N 2 2 289.467 3.092 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000414684560 380372843 /nfs/dbraw/zinc/37/28/43/380372843.db2.gz VXYGMJIKCQAPAO-QGZVFWFLSA-N 2 2 289.467 3.092 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000414707036 380381879 /nfs/dbraw/zinc/38/18/79/380381879.db2.gz MACCFVAXGBVMSE-CYBMUJFWSA-N 2 2 282.378 3.307 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000354289910 380388153 /nfs/dbraw/zinc/38/81/53/380388153.db2.gz NUNQMCHTJDGGNJ-SOUVJXGZSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000414761955 380395057 /nfs/dbraw/zinc/39/50/57/380395057.db2.gz AGQIBJUVGFDGHF-LRDDRELGSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000414761955 380395064 /nfs/dbraw/zinc/39/50/64/380395064.db2.gz AGQIBJUVGFDGHF-LRDDRELGSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000643537659 380354717 /nfs/dbraw/zinc/35/47/17/380354717.db2.gz NRBXGQMAMFOKCQ-KKXDTOCCSA-N 2 2 299.393 3.099 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000414656136 380354806 /nfs/dbraw/zinc/35/48/06/380354806.db2.gz MLNDWXLGLQEYNT-CYBMUJFWSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000414656136 380354813 /nfs/dbraw/zinc/35/48/13/380354813.db2.gz MLNDWXLGLQEYNT-CYBMUJFWSA-N 2 2 286.341 3.327 20 0 CGADLP COCc1cccc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414811796 380423945 /nfs/dbraw/zinc/42/39/45/380423945.db2.gz OOIBDWBMKXILIT-UHFFFAOYSA-N 2 2 290.451 3.235 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414856783 380457382 /nfs/dbraw/zinc/45/73/82/380457382.db2.gz ZNUMITNBYGGNMW-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825913 380436600 /nfs/dbraw/zinc/43/66/00/380436600.db2.gz DHYRNIVVGMPMGC-KDOFPFPSSA-N 2 2 286.394 3.436 20 0 CGADLP [NH3+][C@H](C[NH2+]CCCCOc1ccccc1)c1ccccc1 ZINC000414832281 380440615 /nfs/dbraw/zinc/44/06/15/380440615.db2.gz OICTYTCVAQCJMM-GOSISDBHSA-N 2 2 284.403 3.135 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414842759 380447423 /nfs/dbraw/zinc/44/74/23/380447423.db2.gz ZCXVYDGKCXRIPV-MAUKXSAKSA-N 2 2 268.404 3.216 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@](C)(O)CCC(C)C)c[nH+]1 ZINC000354467265 380449987 /nfs/dbraw/zinc/44/99/87/380449987.db2.gz RYCOKGIVDVUULF-KRWDZBQOSA-N 2 2 278.440 3.099 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414849989 380451063 /nfs/dbraw/zinc/45/10/63/380451063.db2.gz YPMPISONPGHGOG-UHFFFAOYSA-N 2 2 281.469 3.192 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414849445 380452078 /nfs/dbraw/zinc/45/20/78/380452078.db2.gz XNEMQTLNXRAFGC-UHFFFAOYSA-N 2 2 281.469 3.192 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CCCO)c2ccccc2)c[nH+]1 ZINC000354474382 380452861 /nfs/dbraw/zinc/45/28/61/380452861.db2.gz ZYCVQDSVFHURCC-IBGZPJMESA-N 2 2 298.430 3.426 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414853429 380455880 /nfs/dbraw/zinc/45/58/80/380455880.db2.gz SKVCSOXIESSCPZ-NSHDSACASA-N 2 2 295.477 3.335 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C1CCCCC1 ZINC000414853094 380456007 /nfs/dbraw/zinc/45/60/07/380456007.db2.gz RTAWZMFOUHHJLU-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1cc2cc(C[NH2+]C[C@@H]([NH3+])C(C)C)oc2cc1C ZINC000414792994 380409493 /nfs/dbraw/zinc/40/94/93/380409493.db2.gz JNMJTWSEJZJHGC-OAHLLOKOSA-N 2 2 260.381 3.123 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c3cc(C)ccn23)c1 ZINC000414860983 380461859 /nfs/dbraw/zinc/46/18/59/380461859.db2.gz DKZFCNSASDADRJ-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2F)CCCCCC1 ZINC000414862084 380462349 /nfs/dbraw/zinc/46/23/49/380462349.db2.gz UPQMECJBAHKGPA-UHFFFAOYSA-N 2 2 268.351 3.106 20 0 CGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414874804 380469813 /nfs/dbraw/zinc/46/98/13/380469813.db2.gz ZHRAKOLEUMCZPX-LBPRGKRZSA-N 2 2 292.732 3.200 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(OCC2CCCCC2)c1 ZINC000414879876 380471676 /nfs/dbraw/zinc/47/16/76/380471676.db2.gz JJZIKCCBXMQYFI-KRWDZBQOSA-N 2 2 288.435 3.097 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414889791 380476437 /nfs/dbraw/zinc/47/64/37/380476437.db2.gz UIEKXJAYXDSHDL-QGZVFWFLSA-N 2 2 266.388 3.114 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000354721377 380537503 /nfs/dbraw/zinc/53/75/03/380537503.db2.gz FCQSFRLLXCYVQU-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000354721377 380537507 /nfs/dbraw/zinc/53/75/07/380537507.db2.gz FCQSFRLLXCYVQU-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cc(C)c(O)c(C)c2)c[nH+]1 ZINC000355107886 380576677 /nfs/dbraw/zinc/57/66/77/380576677.db2.gz CXCCSWWZFVCJOD-UHFFFAOYSA-N 2 2 298.430 3.477 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355128625 380589564 /nfs/dbraw/zinc/58/95/64/380589564.db2.gz CXXIAALFOQESEV-RDGPPVDQSA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355128625 380589570 /nfs/dbraw/zinc/58/95/70/380589570.db2.gz CXXIAALFOQESEV-RDGPPVDQSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355128625 380589574 /nfs/dbraw/zinc/58/95/74/380589574.db2.gz CXXIAALFOQESEV-RDGPPVDQSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355128625 380589580 /nfs/dbraw/zinc/58/95/80/380589580.db2.gz CXXIAALFOQESEV-RDGPPVDQSA-N 2 2 284.447 3.349 20 0 CGADLP CCOC1CC(CC[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000355152176 380601443 /nfs/dbraw/zinc/60/14/43/380601443.db2.gz NJXKVGYGWPBKAA-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417346051 380601671 /nfs/dbraw/zinc/60/16/71/380601671.db2.gz TVOKHOWWLQVRRQ-XDQVBPFNSA-N 2 2 287.432 3.041 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000417360081 380607373 /nfs/dbraw/zinc/60/73/73/380607373.db2.gz WYARYRUZQWVAHN-AWEZNQCLSA-N 2 2 260.425 3.037 20 0 CGADLP CCC[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000418110423 380700272 /nfs/dbraw/zinc/70/02/72/380700272.db2.gz BVCPOEXNSGLCBO-MRXNPFEDSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418111215 380702012 /nfs/dbraw/zinc/70/20/12/380702012.db2.gz DTDJPVOELGXTFS-UHFFFAOYSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000645893673 380763256 /nfs/dbraw/zinc/76/32/56/380763256.db2.gz TWMJHSRDVPLPES-GOSISDBHSA-N 2 2 298.430 3.282 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071522 380822004 /nfs/dbraw/zinc/82/20/04/380822004.db2.gz IZHNKEGCLKWJMV-AWEZNQCLSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071522 380822013 /nfs/dbraw/zinc/82/20/13/380822013.db2.gz IZHNKEGCLKWJMV-AWEZNQCLSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421380180 380920925 /nfs/dbraw/zinc/92/09/25/380920925.db2.gz LWRVSKVMMOUGNE-INIZCTEOSA-N 2 2 290.476 3.446 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000334842891 207170724 /nfs/dbraw/zinc/17/07/24/207170724.db2.gz YYYGNVKXHVQWCS-APPZFPTMSA-N 2 2 279.236 3.143 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360545082 381577672 /nfs/dbraw/zinc/57/76/72/381577672.db2.gz LIZPFRXCLZTVQS-HZPDHXFCSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360545082 381577675 /nfs/dbraw/zinc/57/76/75/381577675.db2.gz LIZPFRXCLZTVQS-HZPDHXFCSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000334908518 207276352 /nfs/dbraw/zinc/27/63/52/207276352.db2.gz DAAVOGXADABFRM-RISCZKNCSA-N 2 2 275.783 3.202 20 0 CGADLP C[N@@H+](Cc1ccsc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000361496875 381774268 /nfs/dbraw/zinc/77/42/68/381774268.db2.gz NCVQITGFXQORLU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1ccsc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000361496875 381774273 /nfs/dbraw/zinc/77/42/73/381774273.db2.gz NCVQITGFXQORLU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000361496875 381774277 /nfs/dbraw/zinc/77/42/77/381774277.db2.gz NCVQITGFXQORLU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361496875 381774281 /nfs/dbraw/zinc/77/42/81/381774281.db2.gz NCVQITGFXQORLU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000361604823 381833547 /nfs/dbraw/zinc/83/35/47/381833547.db2.gz VUTFQRUKHGNGKA-UHFFFAOYSA-N 2 2 258.409 3.187 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000361604823 381833556 /nfs/dbraw/zinc/83/35/56/381833556.db2.gz VUTFQRUKHGNGKA-UHFFFAOYSA-N 2 2 258.409 3.187 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000361896556 381875196 /nfs/dbraw/zinc/87/51/96/381875196.db2.gz JYHIINVLFHEGIC-YWPUVAFDSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000361896556 381875200 /nfs/dbraw/zinc/87/52/00/381875200.db2.gz JYHIINVLFHEGIC-YWPUVAFDSA-N 2 2 278.362 3.180 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000361742786 381866106 /nfs/dbraw/zinc/86/61/06/381866106.db2.gz CRBHFTUDMGVPPH-ARFHVFGLSA-N 2 2 296.499 3.290 20 0 CGADLP C[NH+]1CCC(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000362573245 382062849 /nfs/dbraw/zinc/06/28/49/382062849.db2.gz QGKFPAMZGIKOQQ-UHFFFAOYSA-N 2 2 273.355 3.128 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000362523397 382035967 /nfs/dbraw/zinc/03/59/67/382035967.db2.gz DRPNRLZCXVJVSX-YGRLFVJLSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000362523397 382035970 /nfs/dbraw/zinc/03/59/70/382035970.db2.gz DRPNRLZCXVJVSX-YGRLFVJLSA-N 2 2 282.790 3.194 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC(C)C)c1cccc(OC)c1 ZINC000236889305 542317412 /nfs/dbraw/zinc/31/74/12/542317412.db2.gz QOIHEFJCSOZTHE-QGZVFWFLSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000366948523 382326586 /nfs/dbraw/zinc/32/65/86/382326586.db2.gz XGOXRCPHOIJNEP-CYBMUJFWSA-N 2 2 255.365 3.070 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438801 382348000 /nfs/dbraw/zinc/34/80/00/382348000.db2.gz PIDFUFWBMWAYKO-ZFWWWQNUSA-N 2 2 279.403 3.227 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@@H](C)CC1 ZINC000289507232 197382419 /nfs/dbraw/zinc/38/24/19/197382419.db2.gz CVSLNEIMNCGXJZ-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCS[C@@H](C)CC1 ZINC000289507232 197382421 /nfs/dbraw/zinc/38/24/21/197382421.db2.gz CVSLNEIMNCGXJZ-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000251728641 542347412 /nfs/dbraw/zinc/34/74/12/542347412.db2.gz KHJPHJOJGKRTJW-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251728641 542347417 /nfs/dbraw/zinc/34/74/17/542347417.db2.gz KHJPHJOJGKRTJW-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccccc32)CC[N@@H+]1C ZINC000252198865 542349756 /nfs/dbraw/zinc/34/97/56/542349756.db2.gz VXQVJOWZGMHZCM-XPKDYRNWSA-N 2 2 276.449 3.047 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccccc32)CC[N@H+]1C ZINC000252198865 542349759 /nfs/dbraw/zinc/34/97/59/542349759.db2.gz VXQVJOWZGMHZCM-XPKDYRNWSA-N 2 2 276.449 3.047 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253028445 542351812 /nfs/dbraw/zinc/35/18/12/542351812.db2.gz PGZIBFJOKKTLIK-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253028445 542351815 /nfs/dbraw/zinc/35/18/15/542351815.db2.gz PGZIBFJOKKTLIK-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000268804406 542361421 /nfs/dbraw/zinc/36/14/21/542361421.db2.gz ZWPBVOWYZZVXCA-IKGGRYGDSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000268804406 542361423 /nfs/dbraw/zinc/36/14/23/542361423.db2.gz ZWPBVOWYZZVXCA-IKGGRYGDSA-N 2 2 274.383 3.029 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692740 533026624 /nfs/dbraw/zinc/02/66/24/533026624.db2.gz BEZKCQYTYDXNNW-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692740 533026627 /nfs/dbraw/zinc/02/66/27/533026627.db2.gz BEZKCQYTYDXNNW-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP FC1(F)CC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000335327695 208201468 /nfs/dbraw/zinc/20/14/68/208201468.db2.gz OTFRAAXZMLWNNL-LLVKDONJSA-N 2 2 269.339 3.025 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341511 208232113 /nfs/dbraw/zinc/23/21/13/208232113.db2.gz KQSSRKSLQONWHU-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341511 208232119 /nfs/dbraw/zinc/23/21/19/208232119.db2.gz KQSSRKSLQONWHU-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335341511 208232124 /nfs/dbraw/zinc/23/21/24/208232124.db2.gz KQSSRKSLQONWHU-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335341511 208232128 /nfs/dbraw/zinc/23/21/28/208232128.db2.gz KQSSRKSLQONWHU-WBMJQRKESA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000353748041 220299666 /nfs/dbraw/zinc/29/96/66/220299666.db2.gz CFIHNKKYHKDXIC-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000353748041 220299673 /nfs/dbraw/zinc/29/96/73/220299673.db2.gz CFIHNKKYHKDXIC-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP COCC[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167874926 285130204 /nfs/dbraw/zinc/13/02/04/285130204.db2.gz RPRMSOSMCCRLDR-CABCVRRESA-N 2 2 278.440 3.130 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1 ZINC000350518087 219032948 /nfs/dbraw/zinc/03/29/48/219032948.db2.gz SRVUDLSENYBSJV-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCSC(F)(F)F ZINC000289217843 197265859 /nfs/dbraw/zinc/26/58/59/197265859.db2.gz JBZWLCFWHXJEEL-UHFFFAOYSA-N 2 2 278.343 3.165 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1c(F)cccc1F ZINC000289170194 197252545 /nfs/dbraw/zinc/25/25/45/197252545.db2.gz FEDWDSVFYDUPSX-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000423247301 533108493 /nfs/dbraw/zinc/10/84/93/533108493.db2.gz LBSOOBYNEARSFL-RDTXWAMCSA-N 2 2 284.403 3.354 20 0 CGADLP CC[NH+]1CCC(CC[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000289069085 197225989 /nfs/dbraw/zinc/22/59/89/197225989.db2.gz AGKYIFJGYOIEJT-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000289063036 197225631 /nfs/dbraw/zinc/22/56/31/197225631.db2.gz CBAFHRRPXADUCM-OAHLLOKOSA-N 2 2 284.403 3.166 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccco1 ZINC000289091278 197232365 /nfs/dbraw/zinc/23/23/65/197232365.db2.gz LIKPAGDICKQARW-UHFFFAOYSA-N 2 2 288.391 3.064 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccco1 ZINC000289091278 197232367 /nfs/dbraw/zinc/23/23/67/197232367.db2.gz LIKPAGDICKQARW-UHFFFAOYSA-N 2 2 288.391 3.064 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337416339 285200318 /nfs/dbraw/zinc/20/03/18/285200318.db2.gz ZLVFNFXQTVFWHP-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337416339 285200319 /nfs/dbraw/zinc/20/03/19/285200319.db2.gz ZLVFNFXQTVFWHP-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000359377955 285205563 /nfs/dbraw/zinc/20/55/63/285205563.db2.gz ZTDYRWILYULSCX-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000359377955 285205571 /nfs/dbraw/zinc/20/55/71/285205571.db2.gz ZTDYRWILYULSCX-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000281204601 195148085 /nfs/dbraw/zinc/14/80/85/195148085.db2.gz KLDJRHAUFVKGHK-DLBZAZTESA-N 2 2 287.451 3.102 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328255771 542443660 /nfs/dbraw/zinc/44/36/60/542443660.db2.gz LQUGPGHZAHRWOX-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000328255771 542443662 /nfs/dbraw/zinc/44/36/62/542443662.db2.gz LQUGPGHZAHRWOX-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000328521863 542444296 /nfs/dbraw/zinc/44/42/96/542444296.db2.gz RVDGLBYYXKRVCJ-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000328521863 542444300 /nfs/dbraw/zinc/44/43/00/542444300.db2.gz RVDGLBYYXKRVCJ-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000281387741 195221047 /nfs/dbraw/zinc/22/10/47/195221047.db2.gz XRMNDURITWYOLT-IAGOWNOFSA-N 2 2 298.434 3.293 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000349634430 542525909 /nfs/dbraw/zinc/52/59/09/542525909.db2.gz VQHOQCFSHXVUFW-QAPCUYQASA-N 2 2 283.419 3.171 20 0 CGADLP c1nc(C2CC2)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000355592678 542567563 /nfs/dbraw/zinc/56/75/63/542567563.db2.gz AVOWJSPMZBBSNZ-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@H]2C ZINC000359543377 533272589 /nfs/dbraw/zinc/27/25/89/533272589.db2.gz UQJCNHXJKIURCT-GJZGRUSLSA-N 2 2 299.418 3.290 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCn1cc[nH+]c1)[C@H]2C ZINC000359543377 533272595 /nfs/dbraw/zinc/27/25/95/533272595.db2.gz UQJCNHXJKIURCT-GJZGRUSLSA-N 2 2 299.418 3.290 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccsc1 ZINC000366291865 533443407 /nfs/dbraw/zinc/44/34/07/533443407.db2.gz YVTUBINHDRAJBG-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422698792 533452419 /nfs/dbraw/zinc/45/24/19/533452419.db2.gz BALJWSYWENWWFX-CXAGYDPISA-N 2 2 254.377 3.070 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423269222 533412125 /nfs/dbraw/zinc/41/21/25/533412125.db2.gz VQEFXMDMARHHDY-ZIAGYGMSSA-N 2 2 264.413 3.028 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414193774 533412323 /nfs/dbraw/zinc/41/23/23/533412323.db2.gz UVGQYVLRVXOSKM-CPUCHLNUSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414193774 533412326 /nfs/dbraw/zinc/41/23/26/533412326.db2.gz UVGQYVLRVXOSKM-CPUCHLNUSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000423270810 533537525 /nfs/dbraw/zinc/53/75/25/533537525.db2.gz WYHFCNROMVAHRD-MLGOLLRUSA-N 2 2 264.388 3.384 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423245410 533567672 /nfs/dbraw/zinc/56/76/72/533567672.db2.gz IUFGMOAVRKSICU-MAUKXSAKSA-N 2 2 283.419 3.082 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000365634684 533601458 /nfs/dbraw/zinc/60/14/58/533601458.db2.gz GJUHBFZOYXSMMY-CQSZACIVSA-N 2 2 289.448 3.478 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000365634684 533601462 /nfs/dbraw/zinc/60/14/62/533601462.db2.gz GJUHBFZOYXSMMY-CQSZACIVSA-N 2 2 289.448 3.478 20 0 CGADLP C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380300965 542595088 /nfs/dbraw/zinc/59/50/88/542595088.db2.gz HUSAXUAESCTERL-ZENOOKHLSA-N 2 2 287.432 3.417 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000380863959 542595907 /nfs/dbraw/zinc/59/59/07/542595907.db2.gz WNIQGLBAVJDTTA-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000380863959 542595909 /nfs/dbraw/zinc/59/59/09/542595909.db2.gz WNIQGLBAVJDTTA-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000381054748 542596354 /nfs/dbraw/zinc/59/63/54/542596354.db2.gz LBVCAPGMEGVUHN-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000381054748 542596359 /nfs/dbraw/zinc/59/63/59/542596359.db2.gz LBVCAPGMEGVUHN-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC(C(F)(F)F)CC1 ZINC000417356854 542644839 /nfs/dbraw/zinc/64/48/39/542644839.db2.gz QHZVJGOIPWLVCY-PNESKVBLSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000049555521 392055125 /nfs/dbraw/zinc/05/51/25/392055125.db2.gz VONDJYYTLOXXHY-KRWDZBQOSA-N 2 2 262.441 3.369 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069382572 392172780 /nfs/dbraw/zinc/17/27/80/392172780.db2.gz YUJQDBMXXFZMMG-CHWSQXEVSA-N 2 2 289.345 3.374 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739899 392309411 /nfs/dbraw/zinc/30/94/11/392309411.db2.gz BBORZJZBLAIYAS-DYVFJYSZSA-N 2 2 286.419 3.214 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739899 392309421 /nfs/dbraw/zinc/30/94/21/392309421.db2.gz BBORZJZBLAIYAS-DYVFJYSZSA-N 2 2 286.419 3.214 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000107698338 392327949 /nfs/dbraw/zinc/32/79/49/392327949.db2.gz HBRLZQXCAGBDPS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000107698338 392327952 /nfs/dbraw/zinc/32/79/52/392327952.db2.gz HBRLZQXCAGBDPS-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000436200194 542658246 /nfs/dbraw/zinc/65/82/46/542658246.db2.gz WNKQWIUQISMOGI-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000361798066 392324728 /nfs/dbraw/zinc/32/47/28/392324728.db2.gz LNCVOBCJPHCKEX-UHFFFAOYSA-N 2 2 254.377 3.455 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000361798066 392324732 /nfs/dbraw/zinc/32/47/32/392324732.db2.gz LNCVOBCJPHCKEX-UHFFFAOYSA-N 2 2 254.377 3.455 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361896539 392357405 /nfs/dbraw/zinc/35/74/05/392357405.db2.gz JRZUHYXGPBJRMR-BSDSXHPESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361896539 392357410 /nfs/dbraw/zinc/35/74/10/392357410.db2.gz JRZUHYXGPBJRMR-BSDSXHPESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCCNc1cccc[nH+]1 ZINC000361931705 392366301 /nfs/dbraw/zinc/36/63/01/392366301.db2.gz YEDBLYUBRLCAQQ-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4cccnc43)CC2)c[nH+]1 ZINC000109793192 392375362 /nfs/dbraw/zinc/37/53/62/392375362.db2.gz VBKISUYPXUKEPT-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(C)C)c1 ZINC000362003533 392385012 /nfs/dbraw/zinc/38/50/12/392385012.db2.gz VSVLXNWVRBXRQD-RDJZCZTQSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(C)C)c1 ZINC000362003533 392385017 /nfs/dbraw/zinc/38/50/17/392385017.db2.gz VSVLXNWVRBXRQD-RDJZCZTQSA-N 2 2 290.451 3.355 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966986 392377465 /nfs/dbraw/zinc/37/74/65/392377465.db2.gz IHMBFFYJEBOEHT-DOXZYTNZSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966986 392377471 /nfs/dbraw/zinc/37/74/71/392377471.db2.gz IHMBFFYJEBOEHT-DOXZYTNZSA-N 2 2 295.430 3.349 20 0 CGADLP CC(C)SCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000367267463 392474742 /nfs/dbraw/zinc/47/47/42/392474742.db2.gz PWLXQBKLYSIZTH-CABCVRRESA-N 2 2 270.486 3.075 20 0 CGADLP CC(C)SCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000367267463 392474749 /nfs/dbraw/zinc/47/47/49/392474749.db2.gz PWLXQBKLYSIZTH-CABCVRRESA-N 2 2 270.486 3.075 20 0 CGADLP CC(C)SCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000367267463 392474754 /nfs/dbraw/zinc/47/47/54/392474754.db2.gz PWLXQBKLYSIZTH-CABCVRRESA-N 2 2 270.486 3.075 20 0 CGADLP CC(C)SCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000367267463 392474757 /nfs/dbraw/zinc/47/47/57/392474757.db2.gz PWLXQBKLYSIZTH-CABCVRRESA-N 2 2 270.486 3.075 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100310 392486126 /nfs/dbraw/zinc/48/61/26/392486126.db2.gz HPZJJEPZNKYMNH-JSGCOSHPSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100310 392486131 /nfs/dbraw/zinc/48/61/31/392486131.db2.gz HPZJJEPZNKYMNH-JSGCOSHPSA-N 2 2 287.794 3.198 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102392 392487010 /nfs/dbraw/zinc/48/70/10/392487010.db2.gz OEFDCGHRJNNGCF-GDBMZVCRSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102392 392487014 /nfs/dbraw/zinc/48/70/14/392487014.db2.gz OEFDCGHRJNNGCF-GDBMZVCRSA-N 2 2 281.403 3.243 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000368524324 392491379 /nfs/dbraw/zinc/49/13/79/392491379.db2.gz AUPAJDSENNUPSU-IKGGRYGDSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000368524324 392491381 /nfs/dbraw/zinc/49/13/81/392491381.db2.gz AUPAJDSENNUPSU-IKGGRYGDSA-N 2 2 294.483 3.046 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000161897108 392587934 /nfs/dbraw/zinc/58/79/34/392587934.db2.gz OUMFNNAIPGJSNX-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000161897108 392587937 /nfs/dbraw/zinc/58/79/37/392587937.db2.gz OUMFNNAIPGJSNX-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000157730347 392550413 /nfs/dbraw/zinc/55/04/13/392550413.db2.gz COMLQARVYZRYMY-CKYFFXLPSA-N 2 2 284.856 3.461 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3sc(Cl)cc32)CC[N@H+]1C ZINC000157730347 392550414 /nfs/dbraw/zinc/55/04/14/392550414.db2.gz COMLQARVYZRYMY-CKYFFXLPSA-N 2 2 284.856 3.461 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280883 392633838 /nfs/dbraw/zinc/63/38/38/392633838.db2.gz JXMPOMNAWBNIRO-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280883 392633845 /nfs/dbraw/zinc/63/38/45/392633845.db2.gz JXMPOMNAWBNIRO-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310752978 392660061 /nfs/dbraw/zinc/66/00/61/392660061.db2.gz KORZEWXHAVCLLN-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310752978 392660064 /nfs/dbraw/zinc/66/00/64/392660064.db2.gz KORZEWXHAVCLLN-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479847 392734748 /nfs/dbraw/zinc/73/47/48/392734748.db2.gz WNRTXBIQESITJN-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479847 392734754 /nfs/dbraw/zinc/73/47/54/392734754.db2.gz WNRTXBIQESITJN-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)s1 ZINC000334685310 392745346 /nfs/dbraw/zinc/74/53/46/392745346.db2.gz LRVCOBGJMKJLLP-CMPLNLGQSA-N 2 2 275.421 3.296 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)s1 ZINC000334685310 392745354 /nfs/dbraw/zinc/74/53/54/392745354.db2.gz LRVCOBGJMKJLLP-CMPLNLGQSA-N 2 2 275.421 3.296 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534037 392753252 /nfs/dbraw/zinc/75/32/52/392753252.db2.gz FEVLYFWLLHNKSS-MSOLQXFVSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534037 392753257 /nfs/dbraw/zinc/75/32/57/392753257.db2.gz FEVLYFWLLHNKSS-MSOLQXFVSA-N 2 2 272.436 3.036 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534013 392753501 /nfs/dbraw/zinc/75/35/01/392753501.db2.gz DOOAZFUWRNFWGA-CVEARBPZSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534013 392753510 /nfs/dbraw/zinc/75/35/10/392753510.db2.gz DOOAZFUWRNFWGA-CVEARBPZSA-N 2 2 250.430 3.031 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000647540336 392758859 /nfs/dbraw/zinc/75/88/59/392758859.db2.gz KTBCLVPCFJFZAH-XWTMOSNGSA-N 2 2 290.426 3.129 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000647540336 392758865 /nfs/dbraw/zinc/75/88/65/392758865.db2.gz KTBCLVPCFJFZAH-XWTMOSNGSA-N 2 2 290.426 3.129 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C(C)C)C3CC3)cn21 ZINC000647363986 392708944 /nfs/dbraw/zinc/70/89/44/392708944.db2.gz PQTGFHVMTBDLKO-KRWDZBQOSA-N 2 2 271.408 3.209 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000647802646 392802860 /nfs/dbraw/zinc/80/28/60/392802860.db2.gz RSTINRTUIIGMKZ-IRXDYDNUSA-N 2 2 294.398 3.419 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510714499 392811439 /nfs/dbraw/zinc/81/14/39/392811439.db2.gz CQOFORXXJJNKSP-ARFHVFGLSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510714499 392811443 /nfs/dbraw/zinc/81/14/43/392811443.db2.gz CQOFORXXJJNKSP-ARFHVFGLSA-N 2 2 270.436 3.369 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1Cl ZINC000647924121 392834264 /nfs/dbraw/zinc/83/42/64/392834264.db2.gz GYUMNLRVBHDVQZ-UHFFFAOYSA-N 2 2 296.842 3.440 20 0 CGADLP C[C@H](c1ccccc1Br)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925250 392834451 /nfs/dbraw/zinc/83/44/51/392834451.db2.gz ADOKIFOVQYUVCL-LLVKDONJSA-N 2 2 297.240 3.323 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377769388 392887042 /nfs/dbraw/zinc/88/70/42/392887042.db2.gz AMKOFMOOSXSMLG-HNNXBMFYSA-N 2 2 283.419 3.354 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377769388 392887046 /nfs/dbraw/zinc/88/70/46/392887046.db2.gz AMKOFMOOSXSMLG-HNNXBMFYSA-N 2 2 283.419 3.354 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337509504 392888241 /nfs/dbraw/zinc/88/82/41/392888241.db2.gz HXTSEMVUIGUGOA-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337509504 392888247 /nfs/dbraw/zinc/88/82/47/392888247.db2.gz HXTSEMVUIGUGOA-ZNMIVQPWSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000381556757 392909568 /nfs/dbraw/zinc/90/95/68/392909568.db2.gz VRUUXLSDKLPDIZ-HYRMGMASSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000381556757 392909574 /nfs/dbraw/zinc/90/95/74/392909574.db2.gz VRUUXLSDKLPDIZ-HYRMGMASSA-N 2 2 264.457 3.274 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000376042546 392857883 /nfs/dbraw/zinc/85/78/83/392857883.db2.gz FADCZHWEXBDOBT-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000376042546 392857888 /nfs/dbraw/zinc/85/78/88/392857888.db2.gz FADCZHWEXBDOBT-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000381969384 392916667 /nfs/dbraw/zinc/91/66/67/392916667.db2.gz VMZYXXAZABPNSO-ZGRYLRDCSA-N 2 2 275.440 3.468 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000517023967 392867062 /nfs/dbraw/zinc/86/70/62/392867062.db2.gz GUSBKNKYHVMSMI-ZIAGYGMSSA-N 2 2 264.413 3.172 20 0 CGADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccccc1 ZINC000194565540 392929069 /nfs/dbraw/zinc/92/90/69/392929069.db2.gz HKFQRMDAUZCIGJ-HNNXBMFYSA-N 2 2 269.392 3.277 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000400502975 392947895 /nfs/dbraw/zinc/94/78/95/392947895.db2.gz JAIHSAWDLRKTOA-COPLHBTASA-N 2 2 286.341 3.497 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559914401 542757694 /nfs/dbraw/zinc/75/76/94/542757694.db2.gz HOUJLNVMLDHHHT-VVLHAWIVSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@@H]1c1ccccc1 ZINC000559914401 542757697 /nfs/dbraw/zinc/75/76/97/542757697.db2.gz HOUJLNVMLDHHHT-VVLHAWIVSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760819 392992165 /nfs/dbraw/zinc/99/21/65/392992165.db2.gz MNWIEIPKYSOLJQ-DZGCQCFKSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760819 392992168 /nfs/dbraw/zinc/99/21/68/392992168.db2.gz MNWIEIPKYSOLJQ-DZGCQCFKSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@H](CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204698 393008107 /nfs/dbraw/zinc/00/81/07/393008107.db2.gz AYJVUERQBWXVRC-VYDXJSESSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@H](CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000221204698 393008112 /nfs/dbraw/zinc/00/81/12/393008112.db2.gz AYJVUERQBWXVRC-VYDXJSESSA-N 2 2 260.425 3.382 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000466383837 393025747 /nfs/dbraw/zinc/02/57/47/393025747.db2.gz PDYZPSGZQDUNJY-LUKYLMHMSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000466383837 393025751 /nfs/dbraw/zinc/02/57/51/393025751.db2.gz PDYZPSGZQDUNJY-LUKYLMHMSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000546934487 393083874 /nfs/dbraw/zinc/08/38/74/393083874.db2.gz YDBDTKQWWJTIFH-VYDXJSESSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000546934487 393083882 /nfs/dbraw/zinc/08/38/82/393083882.db2.gz YDBDTKQWWJTIFH-VYDXJSESSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000547341858 393108368 /nfs/dbraw/zinc/10/83/68/393108368.db2.gz OVKQQKKZJWGBOP-HSBZDZAISA-N 2 2 292.389 3.287 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000547341858 393108374 /nfs/dbraw/zinc/10/83/74/393108374.db2.gz OVKQQKKZJWGBOP-HSBZDZAISA-N 2 2 292.389 3.287 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346356407 393085745 /nfs/dbraw/zinc/08/57/45/393085745.db2.gz YFQUDQDQJJSWQG-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346356407 393085749 /nfs/dbraw/zinc/08/57/49/393085749.db2.gz YFQUDQDQJJSWQG-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1OC ZINC000415043731 393108986 /nfs/dbraw/zinc/10/89/86/393108986.db2.gz BCBMOLCXGGZNLD-QGZVFWFLSA-N 2 2 284.403 3.047 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000547268920 393101358 /nfs/dbraw/zinc/10/13/58/393101358.db2.gz SXBUHFRUUMCHIJ-HOTGVXAUSA-N 2 2 250.430 3.197 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000547268920 393101366 /nfs/dbraw/zinc/10/13/66/393101366.db2.gz SXBUHFRUUMCHIJ-HOTGVXAUSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344290685 393041245 /nfs/dbraw/zinc/04/12/45/393041245.db2.gz MIIQVDUCGUWPDE-JLSDUUJJSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344290685 393041248 /nfs/dbraw/zinc/04/12/48/393041248.db2.gz MIIQVDUCGUWPDE-JLSDUUJJSA-N 2 2 272.436 3.458 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414950704 393057940 /nfs/dbraw/zinc/05/79/40/393057940.db2.gz FVGJQAXQHLVJSS-GOSISDBHSA-N 2 2 298.455 3.385 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000648500351 393068617 /nfs/dbraw/zinc/06/86/17/393068617.db2.gz YOACFTOYYGBVOX-QGZVFWFLSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1cccc(Cl)c1 ZINC000414989403 393081214 /nfs/dbraw/zinc/08/12/14/393081214.db2.gz MSZLFWAAFWPRPI-CABZTGNLSA-N 2 2 276.758 3.016 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415051804 393114460 /nfs/dbraw/zinc/11/44/60/393114460.db2.gz MMDUESKOKYNDGD-MEDUHNTESA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415051804 393114464 /nfs/dbraw/zinc/11/44/64/393114464.db2.gz MMDUESKOKYNDGD-MEDUHNTESA-N 2 2 298.352 3.068 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415059470 393119401 /nfs/dbraw/zinc/11/94/01/393119401.db2.gz WYWZYVHANVZOBS-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415059470 393119405 /nfs/dbraw/zinc/11/94/05/393119405.db2.gz WYWZYVHANVZOBS-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060831 393121663 /nfs/dbraw/zinc/12/16/63/393121663.db2.gz YYEJFJMCJVHKBH-WFASDCNBSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060831 393121668 /nfs/dbraw/zinc/12/16/68/393121668.db2.gz YYEJFJMCJVHKBH-WFASDCNBSA-N 2 2 298.352 3.068 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccsc1 ZINC000415063946 393123524 /nfs/dbraw/zinc/12/35/24/393123524.db2.gz JHKRVUIIVMCBFX-HNNXBMFYSA-N 2 2 260.406 3.100 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415068441 393126115 /nfs/dbraw/zinc/12/61/15/393126115.db2.gz FBCIVQFVMJVVEI-AWEZNQCLSA-N 2 2 286.341 3.246 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000470161061 393227225 /nfs/dbraw/zinc/22/72/25/393227225.db2.gz LLBHPCJLEVRIEJ-HNNXBMFYSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000470161061 393227233 /nfs/dbraw/zinc/22/72/33/393227233.db2.gz LLBHPCJLEVRIEJ-HNNXBMFYSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000470316933 393240228 /nfs/dbraw/zinc/24/02/28/393240228.db2.gz KMBOIGMZCDPTBP-YJBOKZPZSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000470316933 393240233 /nfs/dbraw/zinc/24/02/33/393240233.db2.gz KMBOIGMZCDPTBP-YJBOKZPZSA-N 2 2 274.452 3.425 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cscc3Cl)C2)C1 ZINC000646243467 393247523 /nfs/dbraw/zinc/24/75/23/393247523.db2.gz WYOGUPVPIKVBFB-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cscc3Cl)C2)C1 ZINC000646243467 393247529 /nfs/dbraw/zinc/24/75/29/393247529.db2.gz WYOGUPVPIKVBFB-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cscc3Cl)C2)C1 ZINC000646243467 393247534 /nfs/dbraw/zinc/24/75/34/393247534.db2.gz WYOGUPVPIKVBFB-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000646243467 393247536 /nfs/dbraw/zinc/24/75/36/393247536.db2.gz WYOGUPVPIKVBFB-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000548173177 393185580 /nfs/dbraw/zinc/18/55/80/393185580.db2.gz BHJVNCYZWWEUGX-INIZCTEOSA-N 2 2 271.408 3.132 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777845 393325807 /nfs/dbraw/zinc/32/58/07/393325807.db2.gz XCTQELCBFIDILP-NVXWUHKLSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000278777845 393325813 /nfs/dbraw/zinc/32/58/13/393325813.db2.gz XCTQELCBFIDILP-NVXWUHKLSA-N 2 2 269.392 3.070 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475345477 393394277 /nfs/dbraw/zinc/39/42/77/393394277.db2.gz BAADOGYPXBKBEN-PAYONLEZSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475345477 393394283 /nfs/dbraw/zinc/39/42/83/393394283.db2.gz BAADOGYPXBKBEN-PAYONLEZSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C[N@@H+]1C1CC1 ZINC000280855288 393344823 /nfs/dbraw/zinc/34/48/23/393344823.db2.gz MXVZJJXYCYMEBT-MZMPZRCHSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C[N@H+]1C1CC1 ZINC000280855288 393344827 /nfs/dbraw/zinc/34/48/27/393344827.db2.gz MXVZJJXYCYMEBT-MZMPZRCHSA-N 2 2 285.435 3.138 20 0 CGADLP FC1(F)CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000647190424 393376949 /nfs/dbraw/zinc/37/69/49/393376949.db2.gz ZPEVNNWOXWEOAO-UHFFFAOYSA-N 2 2 269.339 3.051 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000649416500 393416289 /nfs/dbraw/zinc/41/62/89/393416289.db2.gz CBUTUMLDEKFCPA-LZWOXQAQSA-N 2 2 299.418 3.462 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC[C@@H]1[NH3+] ZINC000649416500 393416299 /nfs/dbraw/zinc/41/62/99/393416299.db2.gz CBUTUMLDEKFCPA-LZWOXQAQSA-N 2 2 299.418 3.462 20 0 CGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2c[nH+]cn2C)c1 ZINC000649432284 393425897 /nfs/dbraw/zinc/42/58/97/393425897.db2.gz FZEWPIZAQYUZTN-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2c[nH+]cn2C)c1 ZINC000649432284 393425902 /nfs/dbraw/zinc/42/59/02/393425902.db2.gz FZEWPIZAQYUZTN-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[NH+]1CCCCC1 ZINC000479537747 393433543 /nfs/dbraw/zinc/43/35/43/393433543.db2.gz OLBTWNHXNAZVHA-HZPDHXFCSA-N 2 2 250.430 3.054 20 0 CGADLP CC(C)c1nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235173 393441564 /nfs/dbraw/zinc/44/15/64/393441564.db2.gz OJYBNTIUZWGION-CHWSQXEVSA-N 2 2 290.455 3.071 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000484508838 393445099 /nfs/dbraw/zinc/44/50/99/393445099.db2.gz YETUNBTWYOESQQ-HUBLWGQQSA-N 2 2 290.476 3.370 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000484508838 393445100 /nfs/dbraw/zinc/44/51/00/393445100.db2.gz YETUNBTWYOESQQ-HUBLWGQQSA-N 2 2 290.476 3.370 20 0 CGADLP COc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC000420319429 393463350 /nfs/dbraw/zinc/46/33/50/393463350.db2.gz PNCDRCHURFDKEL-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)[NH3+])cc1 ZINC000420319429 393463354 /nfs/dbraw/zinc/46/33/54/393463354.db2.gz PNCDRCHURFDKEL-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420357220 393471963 /nfs/dbraw/zinc/47/19/63/393471963.db2.gz DMCYZALRZROPOL-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420357220 393471969 /nfs/dbraw/zinc/47/19/69/393471969.db2.gz DMCYZALRZROPOL-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000420378485 393478335 /nfs/dbraw/zinc/47/83/35/393478335.db2.gz UNGZBTGUWYHUQT-RNFRBKRXSA-N 2 2 265.159 3.130 20 0 CGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390016 393479727 /nfs/dbraw/zinc/47/97/27/393479727.db2.gz XUNPYVNTJKOKFM-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390016 393479731 /nfs/dbraw/zinc/47/97/31/393479731.db2.gz XUNPYVNTJKOKFM-INIZCTEOSA-N 2 2 296.817 3.097 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488426391 393508293 /nfs/dbraw/zinc/50/82/93/393508293.db2.gz IGSMBRMZHWVDJD-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP c1cn(CCC[NH2+]C2CCC3(CCCC3)CC2)c[nH+]1 ZINC000129248537 285535529 /nfs/dbraw/zinc/53/55/29/285535529.db2.gz UNVPRVDKBPLZSM-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000488447414 393517169 /nfs/dbraw/zinc/51/71/69/393517169.db2.gz JBKYGVLPMKRMGX-YCPHGPKFSA-N 2 2 260.425 3.361 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000488495247 393528868 /nfs/dbraw/zinc/52/88/68/393528868.db2.gz BZYRDTGDXHYXGO-OZVIIMIRSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000488495247 393528877 /nfs/dbraw/zinc/52/88/77/393528877.db2.gz BZYRDTGDXHYXGO-OZVIIMIRSA-N 2 2 278.827 3.473 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000666654538 542806277 /nfs/dbraw/zinc/80/62/77/542806277.db2.gz OJDYBNGMEMZZAB-TUAOUCFPSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000666654538 542806281 /nfs/dbraw/zinc/80/62/81/542806281.db2.gz OJDYBNGMEMZZAB-TUAOUCFPSA-N 2 2 266.351 3.023 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)CO1 ZINC000649734779 393565290 /nfs/dbraw/zinc/56/52/90/393565290.db2.gz ALYRVSKGTGAYOX-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)CO1 ZINC000649734779 393565297 /nfs/dbraw/zinc/56/52/97/393565297.db2.gz ALYRVSKGTGAYOX-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000666769232 542814421 /nfs/dbraw/zinc/81/44/21/542814421.db2.gz WWTBJOQNGMSVGG-LLVKDONJSA-N 2 2 290.304 3.076 20 0 CGADLP C[N@H+](Cc1csc(C2CCCC2)n1)CC(C)(C)C[NH3+] ZINC000430594374 393581178 /nfs/dbraw/zinc/58/11/78/393581178.db2.gz VNMXVGRVZCQIDQ-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[N@@H+](Cc1csc(C2CCCC2)n1)CC(C)(C)C[NH3+] ZINC000430594374 393581181 /nfs/dbraw/zinc/58/11/81/393581181.db2.gz VNMXVGRVZCQIDQ-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424382 393612937 /nfs/dbraw/zinc/61/29/37/393612937.db2.gz ONVOKLIIINVWNO-VFNXUKNFSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424382 393612938 /nfs/dbraw/zinc/61/29/38/393612938.db2.gz ONVOKLIIINVWNO-VFNXUKNFSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424381 393613046 /nfs/dbraw/zinc/61/30/46/393613046.db2.gz ONVOKLIIINVWNO-RKHAHWSXSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424381 393613048 /nfs/dbraw/zinc/61/30/48/393613048.db2.gz ONVOKLIIINVWNO-RKHAHWSXSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1Cl ZINC000421820638 393634486 /nfs/dbraw/zinc/63/44/86/393634486.db2.gz NEGLUXILLPKTPN-XQQFMLRXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1Cl ZINC000421820638 393634490 /nfs/dbraw/zinc/63/44/90/393634490.db2.gz NEGLUXILLPKTPN-XQQFMLRXSA-N 2 2 279.815 3.012 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000361013018 393641946 /nfs/dbraw/zinc/64/19/46/393641946.db2.gz LVUDEUKUKPOTNK-FUHWJXTLSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000361013018 393641953 /nfs/dbraw/zinc/64/19/53/393641953.db2.gz LVUDEUKUKPOTNK-FUHWJXTLSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000361034453 393651466 /nfs/dbraw/zinc/65/14/66/393651466.db2.gz WYLXMFYLCZUFFE-NFAWXSAZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361034453 393651470 /nfs/dbraw/zinc/65/14/70/393651470.db2.gz WYLXMFYLCZUFFE-NFAWXSAZSA-N 2 2 266.454 3.142 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423142891 393652221 /nfs/dbraw/zinc/65/22/21/393652221.db2.gz BNYKFIGPEFSWBI-ULQDDVLXSA-N 2 2 276.399 3.323 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527204 393672310 /nfs/dbraw/zinc/67/23/10/393672310.db2.gz LYODGQRMLOILGC-XUVXKRRUSA-N 2 2 292.426 3.328 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000442795725 393739808 /nfs/dbraw/zinc/73/98/08/393739808.db2.gz VHSIUQARMOQKJD-JXQTWKCFSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000442795725 393739814 /nfs/dbraw/zinc/73/98/14/393739814.db2.gz VHSIUQARMOQKJD-JXQTWKCFSA-N 2 2 286.410 3.417 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccsc1 ZINC000443106086 393744997 /nfs/dbraw/zinc/74/49/97/393744997.db2.gz VPAGEPHRFCYMMF-GOEBONIOSA-N 2 2 296.480 3.290 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425328409 393692502 /nfs/dbraw/zinc/69/25/02/393692502.db2.gz QZOJVTCOMFQLSD-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425328409 393692505 /nfs/dbraw/zinc/69/25/05/393692505.db2.gz QZOJVTCOMFQLSD-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000491484421 393693393 /nfs/dbraw/zinc/69/33/93/393693393.db2.gz JXSQEOGKYWMTDM-WBVHZDCISA-N 2 2 274.452 3.121 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000491484421 393693401 /nfs/dbraw/zinc/69/34/01/393693401.db2.gz JXSQEOGKYWMTDM-WBVHZDCISA-N 2 2 274.452 3.121 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000433231509 393701575 /nfs/dbraw/zinc/70/15/75/393701575.db2.gz KJQGSVXBDSMWDO-XJKSGUPXSA-N 2 2 260.425 3.456 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434789728 393713889 /nfs/dbraw/zinc/71/38/89/393713889.db2.gz NOZIMYZHEGXEOB-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000434789728 393713893 /nfs/dbraw/zinc/71/38/93/393713893.db2.gz NOZIMYZHEGXEOB-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449587185 393914448 /nfs/dbraw/zinc/91/44/48/393914448.db2.gz NXEHEUBFBOROQO-MRXNPFEDSA-N 2 2 278.440 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449587185 393914451 /nfs/dbraw/zinc/91/44/51/393914451.db2.gz NXEHEUBFBOROQO-MRXNPFEDSA-N 2 2 278.440 3.052 20 0 CGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000079080529 134490359 /nfs/dbraw/zinc/49/03/59/134490359.db2.gz LCJISLDFEDYPAM-UHFFFAOYSA-N 2 2 295.430 3.457 20 0 CGADLP Clc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000450477054 393998989 /nfs/dbraw/zinc/99/89/89/393998989.db2.gz ULSUCQGSEZRFMZ-UHFFFAOYSA-N 2 2 289.810 3.485 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](CC3=CCCCC3)C2)cc[nH+]1 ZINC000450497178 394006520 /nfs/dbraw/zinc/00/65/20/394006520.db2.gz CKYKLJMMAJPSMF-INIZCTEOSA-N 2 2 258.365 3.035 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](CC3=CCCCC3)C2)cc[nH+]1 ZINC000450497178 394006525 /nfs/dbraw/zinc/00/65/25/394006525.db2.gz CKYKLJMMAJPSMF-INIZCTEOSA-N 2 2 258.365 3.035 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C2CC2)C1 ZINC000451036555 394040895 /nfs/dbraw/zinc/04/08/95/394040895.db2.gz GCNQLOYLOVFHDW-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C2CC2)C1 ZINC000451036555 394040899 /nfs/dbraw/zinc/04/08/99/394040899.db2.gz GCNQLOYLOVFHDW-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000451036555 394040905 /nfs/dbraw/zinc/04/09/05/394040905.db2.gz GCNQLOYLOVFHDW-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000451036555 394040907 /nfs/dbraw/zinc/04/09/07/394040907.db2.gz GCNQLOYLOVFHDW-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1C ZINC000667481913 542874663 /nfs/dbraw/zinc/87/46/63/542874663.db2.gz LOKDHQNZFBJYDL-CYBMUJFWSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2cccs2)n1C ZINC000667481913 542874667 /nfs/dbraw/zinc/87/46/67/542874667.db2.gz LOKDHQNZFBJYDL-CYBMUJFWSA-N 2 2 261.394 3.127 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000453071967 394161436 /nfs/dbraw/zinc/16/14/36/394161436.db2.gz MWIGVPGNBSDSFY-HNNXBMFYSA-N 2 2 292.471 3.208 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000453071967 394161439 /nfs/dbraw/zinc/16/14/39/394161439.db2.gz MWIGVPGNBSDSFY-HNNXBMFYSA-N 2 2 292.471 3.208 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1F ZINC000453255902 394223315 /nfs/dbraw/zinc/22/33/15/394223315.db2.gz LKUFHZDPURHQIG-XNJGSVPQSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1F ZINC000453255902 394223317 /nfs/dbraw/zinc/22/33/17/394223317.db2.gz LKUFHZDPURHQIG-XNJGSVPQSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667590521 542895100 /nfs/dbraw/zinc/89/51/00/542895100.db2.gz XVPSYOIYQAYWMB-KRWDZBQOSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667590521 542895101 /nfs/dbraw/zinc/89/51/01/542895101.db2.gz XVPSYOIYQAYWMB-KRWDZBQOSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000667670108 542912006 /nfs/dbraw/zinc/91/20/06/542912006.db2.gz DMMCEZJWBHVQCC-KBXCAEBGSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000667670108 542912008 /nfs/dbraw/zinc/91/20/08/542912008.db2.gz DMMCEZJWBHVQCC-KBXCAEBGSA-N 2 2 283.419 3.354 20 0 CGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667672529 542914270 /nfs/dbraw/zinc/91/42/70/542914270.db2.gz VURFMCRTCKBUMM-PBHICJAKSA-N 2 2 281.403 3.207 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691981 542917878 /nfs/dbraw/zinc/91/78/78/542917878.db2.gz UVFRMIJPGJXHDY-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691981 542917881 /nfs/dbraw/zinc/91/78/81/542917881.db2.gz UVFRMIJPGJXHDY-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)[nH]c2c1 ZINC000667705527 542920089 /nfs/dbraw/zinc/92/00/89/542920089.db2.gz FUYQUSKACWIHSJ-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705527 542920092 /nfs/dbraw/zinc/92/00/92/542920092.db2.gz FUYQUSKACWIHSJ-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705527 542920094 /nfs/dbraw/zinc/92/00/94/542920094.db2.gz FUYQUSKACWIHSJ-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705527 542920096 /nfs/dbraw/zinc/92/00/96/542920096.db2.gz FUYQUSKACWIHSJ-VQIMIIECSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)n1C ZINC000668174297 542981872 /nfs/dbraw/zinc/98/18/72/542981872.db2.gz JNZLYPGIASGSAY-JSGCOSHPSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)n1C ZINC000668174297 542981876 /nfs/dbraw/zinc/98/18/76/542981876.db2.gz JNZLYPGIASGSAY-JSGCOSHPSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000668241165 542997328 /nfs/dbraw/zinc/99/73/28/542997328.db2.gz CXGMUISPPBOGIK-HUUCEWRRSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000668241165 542997329 /nfs/dbraw/zinc/99/73/29/542997329.db2.gz CXGMUISPPBOGIK-HUUCEWRRSA-N 2 2 263.429 3.375 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000668432148 543012374 /nfs/dbraw/zinc/01/23/74/543012374.db2.gz MYUIJYGFVFGKAM-RDBSUJKOSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000668432148 543012376 /nfs/dbraw/zinc/01/23/76/543012376.db2.gz MYUIJYGFVFGKAM-RDBSUJKOSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000668458530 543015410 /nfs/dbraw/zinc/01/54/10/543015410.db2.gz FFGBFXPNSAEEQA-IKGGRYGDSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000668458530 543015411 /nfs/dbraw/zinc/01/54/11/543015411.db2.gz FFGBFXPNSAEEQA-IKGGRYGDSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000668431792 543012227 /nfs/dbraw/zinc/01/22/27/543012227.db2.gz DVSMQSSQXSISDN-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000668431792 543012231 /nfs/dbraw/zinc/01/22/31/543012231.db2.gz DVSMQSSQXSISDN-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+](C)CC1C[NH+](C)C1 ZINC000668539650 543025051 /nfs/dbraw/zinc/02/50/51/543025051.db2.gz GIMIADXPLNBHRY-OAHLLOKOSA-N 2 2 252.446 3.252 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539650 543025052 /nfs/dbraw/zinc/02/50/52/543025052.db2.gz GIMIADXPLNBHRY-OAHLLOKOSA-N 2 2 252.446 3.252 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3ccc(O)cc32)c[nH+]1 ZINC000668614956 543035737 /nfs/dbraw/zinc/03/57/37/543035737.db2.gz GHRRAYSQXXNEJG-SFHVURJKSA-N 2 2 282.387 3.305 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CCOCC2 ZINC000668617173 543035958 /nfs/dbraw/zinc/03/59/58/543035958.db2.gz VSOKNUHWHWNUNB-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669206 543042216 /nfs/dbraw/zinc/04/22/16/543042216.db2.gz OESRVNXWLKTHLH-WNRNVDISSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669206 543042221 /nfs/dbraw/zinc/04/22/21/543042221.db2.gz OESRVNXWLKTHLH-WNRNVDISSA-N 2 2 270.420 3.039 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668682626 543044795 /nfs/dbraw/zinc/04/47/95/543044795.db2.gz LDQRBZLESWKQOY-PWZRNIHTSA-N 2 2 294.389 3.285 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668682626 543044797 /nfs/dbraw/zinc/04/47/97/543044797.db2.gz LDQRBZLESWKQOY-PWZRNIHTSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708956 543121217 /nfs/dbraw/zinc/12/12/17/543121217.db2.gz ZGRXUHTZDIBUIR-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708956 543121219 /nfs/dbraw/zinc/12/12/19/543121219.db2.gz ZGRXUHTZDIBUIR-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708956 543121221 /nfs/dbraw/zinc/12/12/21/543121221.db2.gz ZGRXUHTZDIBUIR-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2F)C[C@@H]1C ZINC000669708956 543121225 /nfs/dbraw/zinc/12/12/25/543121225.db2.gz ZGRXUHTZDIBUIR-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670267722 543149143 /nfs/dbraw/zinc/14/91/43/543149143.db2.gz QSNAMWBJEPRNIT-AWEZNQCLSA-N 2 2 284.488 3.148 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc3cnccc3c1)CCCC2 ZINC000671194868 543162202 /nfs/dbraw/zinc/16/22/02/543162202.db2.gz LRFVMCDQNBGQCD-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000671296227 543166963 /nfs/dbraw/zinc/16/69/63/543166963.db2.gz MZECUJLGYDGHBN-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671296227 543166964 /nfs/dbraw/zinc/16/69/64/543166964.db2.gz MZECUJLGYDGHBN-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)C[NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000551602455 289125061 /nfs/dbraw/zinc/12/50/61/289125061.db2.gz QENZQJKEGFMGQW-KRWDZBQOSA-N 2 2 278.440 3.324 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3(C4CCC4)CC3)cc2)c[nH+]1 ZINC000649809347 397725605 /nfs/dbraw/zinc/72/56/05/397725605.db2.gz GIGLMGNDEYJVEP-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811091 397725798 /nfs/dbraw/zinc/72/57/98/397725798.db2.gz FCTDSDOOCBVPML-OAHLLOKOSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811091 397725801 /nfs/dbraw/zinc/72/58/01/397725801.db2.gz FCTDSDOOCBVPML-OAHLLOKOSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000650709533 397898442 /nfs/dbraw/zinc/89/84/42/397898442.db2.gz DUWUGLIDJCVMNU-UHFFFAOYSA-N 2 2 270.376 3.042 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000650709533 397898445 /nfs/dbraw/zinc/89/84/45/397898445.db2.gz DUWUGLIDJCVMNU-UHFFFAOYSA-N 2 2 270.376 3.042 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000675765556 543361676 /nfs/dbraw/zinc/36/16/76/543361676.db2.gz KLUAPNMDEMMQQI-ZWKOTPCHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000675765556 543361679 /nfs/dbraw/zinc/36/16/79/543361679.db2.gz KLUAPNMDEMMQQI-ZWKOTPCHSA-N 2 2 274.452 3.246 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766835 543362495 /nfs/dbraw/zinc/36/24/95/543362495.db2.gz PTNQCFFVQKJWLC-XJKSGUPXSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766835 543362498 /nfs/dbraw/zinc/36/24/98/543362498.db2.gz PTNQCFFVQKJWLC-XJKSGUPXSA-N 2 2 258.409 3.093 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCC1 ZINC000675917596 543373566 /nfs/dbraw/zinc/37/35/66/543373566.db2.gz DDWGVUHTMHESLW-WMLDXEAASA-N 2 2 283.419 3.482 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924502 543374440 /nfs/dbraw/zinc/37/44/40/543374440.db2.gz KLPZPQXUZQUSLT-KGLIPLIRSA-N 2 2 266.454 3.001 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924502 543374441 /nfs/dbraw/zinc/37/44/41/543374441.db2.gz KLPZPQXUZQUSLT-KGLIPLIRSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC1CCCC1 ZINC000676871365 543421487 /nfs/dbraw/zinc/42/14/87/543421487.db2.gz IHOFEPAAGAEZRL-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP COc1cccc(C[N@H+](CCn2cc[nH+]c2)CC(C)C)c1 ZINC000677982920 543474806 /nfs/dbraw/zinc/47/48/06/543474806.db2.gz YTBWNKCKFOOESC-UHFFFAOYSA-N 2 2 287.407 3.050 20 0 CGADLP COc1cccc(C[N@@H+](CCn2cc[nH+]c2)CC(C)C)c1 ZINC000677982920 543474808 /nfs/dbraw/zinc/47/48/08/543474808.db2.gz YTBWNKCKFOOESC-UHFFFAOYSA-N 2 2 287.407 3.050 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000677985167 543474924 /nfs/dbraw/zinc/47/49/24/543474924.db2.gz ZRAJUQFTVWIBNA-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000677985167 543474925 /nfs/dbraw/zinc/47/49/25/543474925.db2.gz ZRAJUQFTVWIBNA-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079279 543482299 /nfs/dbraw/zinc/48/22/99/543482299.db2.gz UBDVKAHDODLROE-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079279 543482301 /nfs/dbraw/zinc/48/23/01/543482301.db2.gz UBDVKAHDODLROE-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079279 543482302 /nfs/dbraw/zinc/48/23/02/543482302.db2.gz UBDVKAHDODLROE-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079279 543482304 /nfs/dbraw/zinc/48/23/04/543482304.db2.gz UBDVKAHDODLROE-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000678235554 543498178 /nfs/dbraw/zinc/49/81/78/543498178.db2.gz VWBSCVDLKMLPIS-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000678235554 543498181 /nfs/dbraw/zinc/49/81/81/543498181.db2.gz VWBSCVDLKMLPIS-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cscc2Cl)C1 ZINC000678285288 543511787 /nfs/dbraw/zinc/51/17/87/543511787.db2.gz SZJRPJIIKIIPAN-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cscc2Cl)C1 ZINC000678285288 543511789 /nfs/dbraw/zinc/51/17/89/543511789.db2.gz SZJRPJIIKIIPAN-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678285288 543511790 /nfs/dbraw/zinc/51/17/90/543511790.db2.gz SZJRPJIIKIIPAN-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000678285288 543511792 /nfs/dbraw/zinc/51/17/92/543511792.db2.gz SZJRPJIIKIIPAN-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)c3cnccc3C)c[nH+]c12 ZINC000678362207 543518147 /nfs/dbraw/zinc/51/81/47/543518147.db2.gz UFTFDMJFFVKBSI-CQSZACIVSA-N 2 2 280.375 3.197 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccn1C ZINC000678764994 543554123 /nfs/dbraw/zinc/55/41/23/543554123.db2.gz VPBRMNGRWLZCNJ-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000678923730 543571438 /nfs/dbraw/zinc/57/14/38/543571438.db2.gz BSISFSZLOVIQSV-KRWDZBQOSA-N 2 2 287.382 3.470 20 0 CGADLP CO[C@@H](C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922899 543571848 /nfs/dbraw/zinc/57/18/48/543571848.db2.gz VCSQYQJOAALZPG-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H](C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922899 543571849 /nfs/dbraw/zinc/57/18/49/543571849.db2.gz VCSQYQJOAALZPG-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000678882740 543568661 /nfs/dbraw/zinc/56/86/61/543568661.db2.gz LMWQGXHWLXDDNL-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000678882740 543568665 /nfs/dbraw/zinc/56/86/65/543568665.db2.gz LMWQGXHWLXDDNL-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423205180 286892938 /nfs/dbraw/zinc/89/29/38/286892938.db2.gz BAXHBIWVRHCMSH-DZGCQCFKSA-N 2 2 273.424 3.377 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000294924544 287006801 /nfs/dbraw/zinc/00/68/01/287006801.db2.gz CVVNQYFGLRQQHT-ANQUJSFKSA-N 2 2 290.451 3.271 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000249119524 287046897 /nfs/dbraw/zinc/04/68/97/287046897.db2.gz TWWCOGXREHBNKL-JJRVBVJISA-N 2 2 260.425 3.456 20 0 CGADLP COc1cccc([C@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000079413336 287056404 /nfs/dbraw/zinc/05/64/04/287056404.db2.gz HJSKJGHBHGYASC-AWEZNQCLSA-N 2 2 276.424 3.219 20 0 CGADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000086697486 287083446 /nfs/dbraw/zinc/08/34/46/287083446.db2.gz KLVVCYYSWICTLX-PBHICJAKSA-N 2 2 287.407 3.194 20 0 CGADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000086697479 287083662 /nfs/dbraw/zinc/08/36/62/287083662.db2.gz KLVVCYYSWICTLX-WMLDXEAASA-N 2 2 287.407 3.194 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000068616570 165046360 /nfs/dbraw/zinc/04/63/60/165046360.db2.gz AMYPFEFPARGSFG-HLLBOEOZSA-N 2 2 287.451 3.465 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081570210 165165624 /nfs/dbraw/zinc/16/56/24/165165624.db2.gz GVGNKXQKBJRWNN-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081570210 165165627 /nfs/dbraw/zinc/16/56/27/165165627.db2.gz GVGNKXQKBJRWNN-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081570210 165165631 /nfs/dbraw/zinc/16/56/31/165165631.db2.gz GVGNKXQKBJRWNN-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081570210 165165632 /nfs/dbraw/zinc/16/56/32/165165632.db2.gz GVGNKXQKBJRWNN-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000082098076 165168962 /nfs/dbraw/zinc/16/89/62/165168962.db2.gz NDXLZIAQLGUOGG-MPNRVQBSSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000082098076 165168964 /nfs/dbraw/zinc/16/89/64/165168964.db2.gz NDXLZIAQLGUOGG-MPNRVQBSSA-N 2 2 281.403 3.313 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803084 287104987 /nfs/dbraw/zinc/10/49/87/287104987.db2.gz NPRATVFQGQRIJY-NSHDSACASA-N 2 2 287.329 3.243 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803084 287104990 /nfs/dbraw/zinc/10/49/90/287104990.db2.gz NPRATVFQGQRIJY-NSHDSACASA-N 2 2 287.329 3.243 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094339158 165349145 /nfs/dbraw/zinc/34/91/45/165349145.db2.gz AZJKSOQOMTUDED-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094339158 165349147 /nfs/dbraw/zinc/34/91/47/165349147.db2.gz AZJKSOQOMTUDED-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000094896302 165395719 /nfs/dbraw/zinc/39/57/19/165395719.db2.gz YOGFMLBCCYFLCD-KRWDZBQOSA-N 2 2 272.436 3.211 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896302 165395720 /nfs/dbraw/zinc/39/57/20/165395720.db2.gz YOGFMLBCCYFLCD-KRWDZBQOSA-N 2 2 272.436 3.211 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2F)C1 ZINC000093741930 287118551 /nfs/dbraw/zinc/11/85/51/287118551.db2.gz IYMBCEZBBWEPGS-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccc2F)C1 ZINC000093741930 287118553 /nfs/dbraw/zinc/11/85/53/287118553.db2.gz IYMBCEZBBWEPGS-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000093741930 287118555 /nfs/dbraw/zinc/11/85/55/287118555.db2.gz IYMBCEZBBWEPGS-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000093741930 287118558 /nfs/dbraw/zinc/11/85/58/287118558.db2.gz IYMBCEZBBWEPGS-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357639 287136727 /nfs/dbraw/zinc/13/67/27/287136727.db2.gz DTBPXOJDPXGXRG-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357639 287136729 /nfs/dbraw/zinc/13/67/29/287136729.db2.gz DTBPXOJDPXGXRG-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000118961476 287162603 /nfs/dbraw/zinc/16/26/03/287162603.db2.gz PVUGNNNETXTZGF-KRWDZBQOSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122277058 287208228 /nfs/dbraw/zinc/20/82/28/287208228.db2.gz WVHIBIYEGVXSCM-SMDDNHRTSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000122277058 287208229 /nfs/dbraw/zinc/20/82/29/287208229.db2.gz WVHIBIYEGVXSCM-SMDDNHRTSA-N 2 2 298.352 3.420 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000284193283 196000291 /nfs/dbraw/zinc/00/02/91/196000291.db2.gz GFQIUUBVBMALIM-HNNXBMFYSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1c(F)cccc1F ZINC000020128765 171015986 /nfs/dbraw/zinc/01/59/86/171015986.db2.gz NCDNUMJERPFJIS-ZDUSSCGKSA-N 2 2 282.378 3.491 20 0 CGADLP Brc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129154 171017217 /nfs/dbraw/zinc/01/72/17/171017217.db2.gz DTZQFHKVLGWITA-UHFFFAOYSA-N 2 2 297.240 3.025 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000020189307 171054672 /nfs/dbraw/zinc/05/46/72/171054672.db2.gz MUCCYNMCZPVHHO-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633995 196351217 /nfs/dbraw/zinc/35/12/17/196351217.db2.gz RJRXUHCAZQXINV-HZPDHXFCSA-N 2 2 296.842 3.101 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633995 196351219 /nfs/dbraw/zinc/35/12/19/196351219.db2.gz RJRXUHCAZQXINV-HZPDHXFCSA-N 2 2 296.842 3.101 20 0 CGADLP CCc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037166710 173001734 /nfs/dbraw/zinc/00/17/34/173001734.db2.gz ZOIBGOSANOESPE-KRWDZBQOSA-N 2 2 262.441 3.315 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037424660 173199480 /nfs/dbraw/zinc/19/94/80/173199480.db2.gz LYHAXTCPYIBDBN-JTQLQIEISA-N 2 2 284.190 3.368 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000040727020 174387420 /nfs/dbraw/zinc/38/74/20/174387420.db2.gz HPSBYHYNADLGKX-MRXNPFEDSA-N 2 2 284.407 3.280 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746531 174391300 /nfs/dbraw/zinc/39/13/00/174391300.db2.gz UAIYSHPCZZAMCB-PBWFPOADSA-N 2 2 264.800 3.055 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746531 174391301 /nfs/dbraw/zinc/39/13/01/174391301.db2.gz UAIYSHPCZZAMCB-PBWFPOADSA-N 2 2 264.800 3.055 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000354304266 287294942 /nfs/dbraw/zinc/29/49/42/287294942.db2.gz MLCMGBVARGFRFJ-KQTLUZQSSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000354304266 287294944 /nfs/dbraw/zinc/29/49/44/287294944.db2.gz MLCMGBVARGFRFJ-KQTLUZQSSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000043326619 175008363 /nfs/dbraw/zinc/00/83/63/175008363.db2.gz HZNHITVKTOZGFM-GWCFXTLKSA-N 2 2 272.314 3.108 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000044539866 175200829 /nfs/dbraw/zinc/20/08/29/175200829.db2.gz PGGPXZWRCQDYTN-KRWDZBQOSA-N 2 2 254.377 3.153 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000044539866 175200831 /nfs/dbraw/zinc/20/08/31/175200831.db2.gz PGGPXZWRCQDYTN-KRWDZBQOSA-N 2 2 254.377 3.153 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000127950028 287299771 /nfs/dbraw/zinc/29/97/71/287299771.db2.gz IUTGSZRQHGIACI-NHIYQJMISA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127950028 287299775 /nfs/dbraw/zinc/29/97/75/287299775.db2.gz IUTGSZRQHGIACI-NHIYQJMISA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000128225308 287306160 /nfs/dbraw/zinc/30/61/60/287306160.db2.gz HZVBONANMKQWCY-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314631 176121124 /nfs/dbraw/zinc/12/11/24/176121124.db2.gz GUOOUQJKAZCGLG-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP CCC[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314631 176121126 /nfs/dbraw/zinc/12/11/26/176121126.db2.gz GUOOUQJKAZCGLG-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP C[NH+](C)C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129236506 287327241 /nfs/dbraw/zinc/32/72/41/287327241.db2.gz IXLRGWPSBKDGNV-JKSUJKDBSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000404365329 416552451 /nfs/dbraw/zinc/55/24/51/416552451.db2.gz PCWLZQVTFJVOFU-GXTWGEPZSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000404365329 416552457 /nfs/dbraw/zinc/55/24/57/416552457.db2.gz PCWLZQVTFJVOFU-GXTWGEPZSA-N 2 2 281.469 3.216 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122332329 416503193 /nfs/dbraw/zinc/50/31/93/416503193.db2.gz IQZFNYFGQDPDNN-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122332329 416503196 /nfs/dbraw/zinc/50/31/96/416503196.db2.gz IQZFNYFGQDPDNN-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000130224016 287347975 /nfs/dbraw/zinc/34/79/75/287347975.db2.gz BNEBEBSPCVXLKB-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680133842 543686458 /nfs/dbraw/zinc/68/64/58/543686458.db2.gz RYZPCPWFUWBRNI-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)c[nH+]1 ZINC000679986034 543672215 /nfs/dbraw/zinc/67/22/15/543672215.db2.gz NZPWWTAXTBYJLX-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c[nH+]1 ZINC000679986034 543672217 /nfs/dbraw/zinc/67/22/17/543672217.db2.gz NZPWWTAXTBYJLX-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000680336351 543699948 /nfs/dbraw/zinc/69/99/48/543699948.db2.gz FYQLKIFWEXEPDD-IAGOWNOFSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc(C)c([C@H](C)[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000130780668 287362949 /nfs/dbraw/zinc/36/29/49/287362949.db2.gz RTWSEYCODMXNKL-HNNXBMFYSA-N 2 2 257.381 3.193 20 0 CGADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000130780668 287362950 /nfs/dbraw/zinc/36/29/50/287362950.db2.gz RTWSEYCODMXNKL-HNNXBMFYSA-N 2 2 257.381 3.193 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000130835297 287364582 /nfs/dbraw/zinc/36/45/82/287364582.db2.gz JKGMMPWPNJLHNY-HUUCEWRRSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000130835297 287364584 /nfs/dbraw/zinc/36/45/84/287364584.db2.gz JKGMMPWPNJLHNY-HUUCEWRRSA-N 2 2 290.451 3.089 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC34CCCC4)[nH+]c12 ZINC000682734029 543863893 /nfs/dbraw/zinc/86/38/93/543863893.db2.gz WMKOGOOVVCHQNS-INIZCTEOSA-N 2 2 283.419 3.498 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693686 543932692 /nfs/dbraw/zinc/93/26/92/543932692.db2.gz BDKKVDUNTBJGOF-HIFRSBDPSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693686 543932693 /nfs/dbraw/zinc/93/26/93/543932693.db2.gz BDKKVDUNTBJGOF-HIFRSBDPSA-N 2 2 278.465 3.286 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000683140627 543898678 /nfs/dbraw/zinc/89/86/78/543898678.db2.gz DHIGVDCGFOYTSA-AWEZNQCLSA-N 2 2 278.415 3.477 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000683140627 543898682 /nfs/dbraw/zinc/89/86/82/543898682.db2.gz DHIGVDCGFOYTSA-AWEZNQCLSA-N 2 2 278.415 3.477 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683829956 543946247 /nfs/dbraw/zinc/94/62/47/543946247.db2.gz NMKPZYPLOOMXFN-NSHDSACASA-N 2 2 281.812 3.435 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683829956 543946250 /nfs/dbraw/zinc/94/62/50/543946250.db2.gz NMKPZYPLOOMXFN-NSHDSACASA-N 2 2 281.812 3.435 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCOC(C)(C)C)c[nH+]1 ZINC000684361127 543985137 /nfs/dbraw/zinc/98/51/37/543985137.db2.gz MLCWHDWXWAONFD-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCOC(C)(C)C)c[nH+]1 ZINC000684361127 543985138 /nfs/dbraw/zinc/98/51/38/543985138.db2.gz MLCWHDWXWAONFD-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CO)[C@H](C)c2ccccc2)c[nH+]1 ZINC000684377829 543989353 /nfs/dbraw/zinc/98/93/53/543989353.db2.gz GHFCIEQYVDOAPX-VQIMIIECSA-N 2 2 298.430 3.077 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000684383166 543990106 /nfs/dbraw/zinc/99/01/06/543990106.db2.gz TTZPOJZUWFQSNX-QILLFSRXSA-N 2 2 299.418 3.481 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000684391073 543992086 /nfs/dbraw/zinc/99/20/86/543992086.db2.gz PQCDULNBCKKYCD-SJORKVTESA-N 2 2 296.499 3.292 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1F ZINC000685459723 544072838 /nfs/dbraw/zinc/07/28/38/544072838.db2.gz DGWRYFWGVFMHTH-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(OC)c1F ZINC000685459723 544072842 /nfs/dbraw/zinc/07/28/42/544072842.db2.gz DGWRYFWGVFMHTH-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)c[nH+]1 ZINC000685000773 544050910 /nfs/dbraw/zinc/05/09/10/544050910.db2.gz XIRALQYNCLRCKV-KRWDZBQOSA-N 2 2 291.439 3.117 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)c[nH+]1 ZINC000685000773 544050913 /nfs/dbraw/zinc/05/09/13/544050913.db2.gz XIRALQYNCLRCKV-KRWDZBQOSA-N 2 2 291.439 3.117 20 0 CGADLP CC(C)CC1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000658321415 418935074 /nfs/dbraw/zinc/93/50/74/418935074.db2.gz QPVLTIHMOXNMBY-UHFFFAOYSA-N 2 2 273.424 3.219 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1ccncn1)C1CCCCC1 ZINC000652237875 418940711 /nfs/dbraw/zinc/94/07/11/418940711.db2.gz IKFUQZZPRHJTDN-HNNXBMFYSA-N 2 2 290.455 3.172 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccncn1)C1CCCCC1 ZINC000652237875 418940714 /nfs/dbraw/zinc/94/07/14/418940714.db2.gz IKFUQZZPRHJTDN-HNNXBMFYSA-N 2 2 290.455 3.172 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658339264 418942737 /nfs/dbraw/zinc/94/27/37/418942737.db2.gz PTTMASKQEZOQRU-AVGNSLFASA-N 2 2 274.399 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658339264 418942739 /nfs/dbraw/zinc/94/27/39/418942739.db2.gz PTTMASKQEZOQRU-AVGNSLFASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652286117 418945044 /nfs/dbraw/zinc/94/50/44/418945044.db2.gz NKSCKUAGSYYYBU-LSDHHAIUSA-N 2 2 299.418 3.338 20 0 CGADLP CSc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000660127836 419083772 /nfs/dbraw/zinc/08/37/72/419083772.db2.gz FOKBWZIYKZJWHY-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000660127836 419083774 /nfs/dbraw/zinc/08/37/74/419083774.db2.gz FOKBWZIYKZJWHY-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1Cl ZINC000665250103 419091554 /nfs/dbraw/zinc/09/15/54/419091554.db2.gz IDGLAZRCOKBJFD-NSHDSACASA-N 2 2 252.789 3.262 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000655767532 419091585 /nfs/dbraw/zinc/09/15/85/419091585.db2.gz HHQGMVKKCZNFGV-GDBMZVCRSA-N 2 2 281.403 3.161 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000655767532 419091587 /nfs/dbraw/zinc/09/15/87/419091587.db2.gz HHQGMVKKCZNFGV-GDBMZVCRSA-N 2 2 281.403 3.161 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1Cl ZINC000665250102 419091949 /nfs/dbraw/zinc/09/19/49/419091949.db2.gz IDGLAZRCOKBJFD-LLVKDONJSA-N 2 2 252.789 3.262 20 0 CGADLP CC[C@H]([NH2+]Cc1cc2cc(C)ccc2o1)[C@@H]1CCC[NH2+]1 ZINC000665261814 419095331 /nfs/dbraw/zinc/09/53/31/419095331.db2.gz LZVZZDRUTYSRFX-HOTGVXAUSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000665265308 419096765 /nfs/dbraw/zinc/09/67/65/419096765.db2.gz UUWRGMQKEMSBCP-TVQRCGJNSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1Cl ZINC000665277038 419099825 /nfs/dbraw/zinc/09/98/25/419099825.db2.gz RLVRJZOZCAWEFY-NAUIOFCNSA-N 2 2 285.218 3.396 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000665294320 419107394 /nfs/dbraw/zinc/10/73/94/419107394.db2.gz MNNVSSAZLYVJQW-FZKQIMNGSA-N 2 2 286.419 3.497 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000665296253 419109278 /nfs/dbraw/zinc/10/92/78/419109278.db2.gz PJBOMXHVTKAKSW-SMDDNHRTSA-N 2 2 252.427 3.177 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000665295369 419109559 /nfs/dbraw/zinc/10/95/59/419109559.db2.gz CKGQJSONLMMVSF-NWDGAFQWSA-N 2 2 289.448 3.377 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665295342 419109688 /nfs/dbraw/zinc/10/96/88/419109688.db2.gz CGCCYTOIAYYJFP-RYUDHWBXSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000665297748 419111218 /nfs/dbraw/zinc/11/12/18/419111218.db2.gz LBMNYIGGJUTQOL-YGRLFVJLSA-N 2 2 272.795 3.374 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000660257667 419114014 /nfs/dbraw/zinc/11/40/14/419114014.db2.gz VRCGOVASCJAWCX-DOMZBBRYSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000660257667 419114015 /nfs/dbraw/zinc/11/40/15/419114015.db2.gz VRCGOVASCJAWCX-DOMZBBRYSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3)n2c1 ZINC000655845265 419116678 /nfs/dbraw/zinc/11/66/78/419116678.db2.gz ZMMGSSMQOIXWRD-CTYIDZIISA-N 2 2 287.407 3.078 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655850850 419120015 /nfs/dbraw/zinc/12/00/15/419120015.db2.gz MSTAJGQWARQUSH-ZIAGYGMSSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850850 419120017 /nfs/dbraw/zinc/12/00/17/419120017.db2.gz MSTAJGQWARQUSH-ZIAGYGMSSA-N 2 2 272.383 3.171 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655857247 419125324 /nfs/dbraw/zinc/12/53/24/419125324.db2.gz UISQCDWVXMHSRP-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655857247 419125329 /nfs/dbraw/zinc/12/53/29/419125329.db2.gz UISQCDWVXMHSRP-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849393 419120030 /nfs/dbraw/zinc/12/00/30/419120030.db2.gz UTFKLQFSGBOXLK-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849393 419120031 /nfs/dbraw/zinc/12/00/31/419120031.db2.gz UTFKLQFSGBOXLK-RCCFBDPRSA-N 2 2 288.410 3.420 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655682712 419063225 /nfs/dbraw/zinc/06/32/25/419063225.db2.gz ITAFDSUXZIABSV-OCCSQVGLSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C1CC1 ZINC000653674428 419068784 /nfs/dbraw/zinc/06/87/84/419068784.db2.gz DBDYBRXNNPVZSF-HOCLYGCPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C1CC1 ZINC000653674428 419068786 /nfs/dbraw/zinc/06/87/86/419068786.db2.gz DBDYBRXNNPVZSF-HOCLYGCPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655704001 419071775 /nfs/dbraw/zinc/07/17/75/419071775.db2.gz PBYNGYTXQZRQDY-OIISXLGYSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CC[C@@H](C)SC3)[nH+]c12 ZINC000655719910 419076842 /nfs/dbraw/zinc/07/68/42/419076842.db2.gz WXJJDQAQQCYUSP-HIFRSBDPSA-N 2 2 289.448 3.059 20 0 CGADLP Cc1c[nH+]c(CCNc2[nH+]c3ccccc3n2C)c(C)c1 ZINC000656211143 419150697 /nfs/dbraw/zinc/15/06/97/419150697.db2.gz QBKMWHKMNJLHCU-UHFFFAOYSA-N 2 2 280.375 3.240 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@H]1c1ccccc1 ZINC000660490437 419152862 /nfs/dbraw/zinc/15/28/62/419152862.db2.gz SWYPHIBLGPWHRL-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@H]1c1ccccc1 ZINC000660490437 419152864 /nfs/dbraw/zinc/15/28/64/419152864.db2.gz SWYPHIBLGPWHRL-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(OC)cc1 ZINC000657292244 419243942 /nfs/dbraw/zinc/24/39/42/419243942.db2.gz KVSBMUXPKTZBAY-MRXNPFEDSA-N 2 2 285.391 3.079 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657308063 419247592 /nfs/dbraw/zinc/24/75/92/419247592.db2.gz LYHQDXAODOBEHC-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657354115 419258399 /nfs/dbraw/zinc/25/83/99/419258399.db2.gz PTKLYMZSEYGZFP-ZIAGYGMSSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]1CCC[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657363466 419260644 /nfs/dbraw/zinc/26/06/44/419260644.db2.gz OUQWILHPFHETKA-UONOGXRCSA-N 2 2 261.413 3.135 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](CC1CC1)c1ccccc1)CCC2 ZINC000657376795 419264508 /nfs/dbraw/zinc/26/45/08/419264508.db2.gz OHXPJZRMEFXIDX-QGZVFWFLSA-N 2 2 281.403 3.460 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657387330 419267036 /nfs/dbraw/zinc/26/70/36/419267036.db2.gz OFOLWYVMWMESDP-GXTWGEPZSA-N 2 2 261.413 3.134 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OC2CCCC2)CCCC1 ZINC000656788279 419219234 /nfs/dbraw/zinc/21/92/34/419219234.db2.gz HNRPXQVLXYQCRA-UHFFFAOYSA-N 2 2 288.435 3.369 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1CC(c3ccccc3)C1)CCC2 ZINC000657464254 419285454 /nfs/dbraw/zinc/28/54/54/419285454.db2.gz QYUUTPJTAZCJFH-UHFFFAOYSA-N 2 2 281.403 3.113 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(OC3CCC3)CC2)c[nH+]1 ZINC000418093185 228029807 /nfs/dbraw/zinc/02/98/07/228029807.db2.gz QCAFXKRASCFRKK-UHFFFAOYSA-N 2 2 288.435 3.356 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657489939 419292204 /nfs/dbraw/zinc/29/22/04/419292204.db2.gz CBJIYEVHQHQOJC-HNNXBMFYSA-N 2 2 261.413 3.278 20 0 CGADLP Fc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)c1 ZINC000657498396 419294592 /nfs/dbraw/zinc/29/45/92/419294592.db2.gz GCGJNVQFODPFST-UHFFFAOYSA-N 2 2 285.366 3.137 20 0 CGADLP Cc1ccccc1C1([NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657500207 419295403 /nfs/dbraw/zinc/29/54/03/419295403.db2.gz JAMNLRGMLXZXOF-UHFFFAOYSA-N 2 2 281.403 3.307 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525809 419298124 /nfs/dbraw/zinc/29/81/24/419298124.db2.gz WIBLFCXMCJSJID-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525809 419298127 /nfs/dbraw/zinc/29/81/27/419298127.db2.gz WIBLFCXMCJSJID-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000657741942 419334772 /nfs/dbraw/zinc/33/47/72/419334772.db2.gz JZTCVZBAOYUUCG-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000657741942 419334774 /nfs/dbraw/zinc/33/47/74/419334774.db2.gz JZTCVZBAOYUUCG-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP CC1(C)C[C@]1(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657761648 419338850 /nfs/dbraw/zinc/33/88/50/419338850.db2.gz QIIRBVRHIVVPDX-AWEZNQCLSA-N 2 2 261.394 3.212 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)c[nH+]1 ZINC000657854454 419389518 /nfs/dbraw/zinc/38/95/18/419389518.db2.gz UOHGSYIEXJYXGD-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCC(C)CC1 ZINC000657857709 419390481 /nfs/dbraw/zinc/39/04/81/419390481.db2.gz BIXGMZFILBSPCI-STQMWFEESA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324241 419393369 /nfs/dbraw/zinc/39/33/69/419393369.db2.gz ZVHJOEIHKXFNFK-CSMYWGQOSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324241 419393370 /nfs/dbraw/zinc/39/33/70/419393370.db2.gz ZVHJOEIHKXFNFK-CSMYWGQOSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+](C)Cc1ccccc1 ZINC000657877252 419399486 /nfs/dbraw/zinc/39/94/86/419399486.db2.gz AVBBHRJTNMBSAC-CQSZACIVSA-N 2 2 296.405 3.184 20 0 CGADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+](C)Cc1ccccc1 ZINC000657877252 419399493 /nfs/dbraw/zinc/39/94/93/419399493.db2.gz AVBBHRJTNMBSAC-CQSZACIVSA-N 2 2 296.405 3.184 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000657889298 419412248 /nfs/dbraw/zinc/41/22/48/419412248.db2.gz RRTUAICLHUGICV-NJAFHUGGSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000657889298 419412259 /nfs/dbraw/zinc/41/22/59/419412259.db2.gz RRTUAICLHUGICV-NJAFHUGGSA-N 2 2 299.462 3.214 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657820674 419369675 /nfs/dbraw/zinc/36/96/75/419369675.db2.gz JGUWIMQNKOLYMA-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCSCC3)C2)cc1 ZINC000657820674 419369678 /nfs/dbraw/zinc/36/96/78/419369678.db2.gz JGUWIMQNKOLYMA-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657822273 419372600 /nfs/dbraw/zinc/37/26/00/419372600.db2.gz YGVRSVUSJVOTPS-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657822273 419372604 /nfs/dbraw/zinc/37/26/04/419372604.db2.gz YGVRSVUSJVOTPS-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662274241 419381566 /nfs/dbraw/zinc/38/15/66/419381566.db2.gz GRLCBPYYZSYNCR-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662274241 419381573 /nfs/dbraw/zinc/38/15/73/419381573.db2.gz GRLCBPYYZSYNCR-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000657838095 419382034 /nfs/dbraw/zinc/38/20/34/419382034.db2.gz YUUXAIJJUGFILT-AGIUHOORSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000657838095 419382040 /nfs/dbraw/zinc/38/20/40/419382040.db2.gz YUUXAIJJUGFILT-AGIUHOORSA-N 2 2 276.415 3.376 20 0 CGADLP C[N@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)[NH3+] ZINC000662296719 419385082 /nfs/dbraw/zinc/38/50/82/419385082.db2.gz FVDHSLBTBSLMMI-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[N@@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)[NH3+] ZINC000662296719 419385086 /nfs/dbraw/zinc/38/50/86/419385086.db2.gz FVDHSLBTBSLMMI-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc2ccncc2s1 ZINC000657900172 419424345 /nfs/dbraw/zinc/42/43/45/419424345.db2.gz NHFXAKOMBJEMBT-QWHCGFSZSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc2ccncc2s1 ZINC000657900172 419424354 /nfs/dbraw/zinc/42/43/54/419424354.db2.gz NHFXAKOMBJEMBT-QWHCGFSZSA-N 2 2 289.448 3.289 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658054630 419523575 /nfs/dbraw/zinc/52/35/75/419523575.db2.gz FRHBUKGLYIIHID-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658054630 419523580 /nfs/dbraw/zinc/52/35/80/419523580.db2.gz FRHBUKGLYIIHID-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055835 419525576 /nfs/dbraw/zinc/52/55/76/419525576.db2.gz JPFQQWHYGPLPKX-HIFRSBDPSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055835 419525582 /nfs/dbraw/zinc/52/55/82/419525582.db2.gz JPFQQWHYGPLPKX-HIFRSBDPSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092641 419568762 /nfs/dbraw/zinc/56/87/62/419568762.db2.gz QYPCMPFSCVRSNC-UNEWFSDZSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092641 419568770 /nfs/dbraw/zinc/56/87/70/419568770.db2.gz QYPCMPFSCVRSNC-UNEWFSDZSA-N 2 2 272.436 3.382 20 0 CGADLP COCC1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCCC1 ZINC000663337416 419563419 /nfs/dbraw/zinc/56/34/19/419563419.db2.gz XAWHXGRXHISNHB-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095614 419572139 /nfs/dbraw/zinc/57/21/39/419572139.db2.gz JSOZFNHPEQVUJA-MNOVXSKESA-N 2 2 262.388 3.129 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095614 419572149 /nfs/dbraw/zinc/57/21/49/419572149.db2.gz JSOZFNHPEQVUJA-MNOVXSKESA-N 2 2 262.388 3.129 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663466520 419621992 /nfs/dbraw/zinc/62/19/92/419621992.db2.gz UYZDFPFYECXCQC-SWLSCSKDSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466520 419621997 /nfs/dbraw/zinc/62/19/97/419621997.db2.gz UYZDFPFYECXCQC-SWLSCSKDSA-N 2 2 293.480 3.224 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000658204825 419657657 /nfs/dbraw/zinc/65/76/57/419657657.db2.gz BZITWDAVTPXYEJ-JENIJYKNSA-N 2 2 299.462 3.072 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000658286711 419732180 /nfs/dbraw/zinc/73/21/80/419732180.db2.gz CBTVKXMSWGZCAB-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000658286711 419732185 /nfs/dbraw/zinc/73/21/85/419732185.db2.gz CBTVKXMSWGZCAB-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000658286181 419734457 /nfs/dbraw/zinc/73/44/57/419734457.db2.gz PXWTWSJIGNEGSG-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000658286181 419734463 /nfs/dbraw/zinc/73/44/63/419734463.db2.gz PXWTWSJIGNEGSG-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000658288247 419737858 /nfs/dbraw/zinc/73/78/58/419737858.db2.gz ROQVZJKJAMIHIC-VYDXJSESSA-N 2 2 260.425 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000658288247 419737863 /nfs/dbraw/zinc/73/78/63/419737863.db2.gz ROQVZJKJAMIHIC-VYDXJSESSA-N 2 2 260.425 3.253 20 0 CGADLP Nc1cccc2c1cc[nH+]c2NC1CC([NH+]2CCCCC2)C1 ZINC000663864807 419745229 /nfs/dbraw/zinc/74/52/29/419745229.db2.gz XDQLANSGYQFSAG-UHFFFAOYSA-N 2 2 296.418 3.246 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265132 419719026 /nfs/dbraw/zinc/71/90/26/419719026.db2.gz KQRAEVYGSYPRDG-UZTPGZALSA-N 2 2 284.394 3.027 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265132 419719033 /nfs/dbraw/zinc/71/90/33/419719033.db2.gz KQRAEVYGSYPRDG-UZTPGZALSA-N 2 2 284.394 3.027 20 0 CGADLP c1ccc2[nH+]c(NCc3ccc[nH+]c3N3CCCC3)[nH]c2c1 ZINC000664193361 419857687 /nfs/dbraw/zinc/85/76/87/419857687.db2.gz KOBAXRFHEYIRPW-UHFFFAOYSA-N 2 2 293.374 3.170 20 0 CGADLP CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221156815 260122855 /nfs/dbraw/zinc/12/28/55/260122855.db2.gz MIJJKKJKIIVKMK-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221156815 260122856 /nfs/dbraw/zinc/12/28/56/260122856.db2.gz MIJJKKJKIIVKMK-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000390691432 262241157 /nfs/dbraw/zinc/24/11/57/262241157.db2.gz PUTSUAHPXVCLNI-CQSZACIVSA-N 2 2 291.345 3.397 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000390743179 262250279 /nfs/dbraw/zinc/25/02/79/262250279.db2.gz NMPALEXQSYLGNU-RHSMWYFYSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000390743179 262250280 /nfs/dbraw/zinc/25/02/80/262250280.db2.gz NMPALEXQSYLGNU-RHSMWYFYSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC(C)(C)[NH+](C)C)C2)cc1 ZINC000036843319 270028337 /nfs/dbraw/zinc/02/83/37/270028337.db2.gz FHKBYMYPJIKGAV-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037154015 270028928 /nfs/dbraw/zinc/02/89/28/270028928.db2.gz RNWVGSURSKDOKM-IAGOWNOFSA-N 2 2 274.452 3.472 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000037154399 270028954 /nfs/dbraw/zinc/02/89/54/270028954.db2.gz BJOMJUYOEMPWCD-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000041064034 270030537 /nfs/dbraw/zinc/03/05/37/270030537.db2.gz HNVVCJMUBXXLOZ-CQSZACIVSA-N 2 2 265.360 3.387 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000042307957 270032193 /nfs/dbraw/zinc/03/21/93/270032193.db2.gz ZVVWSYVDRIMFRP-QGZVFWFLSA-N 2 2 258.409 3.140 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000044300533 270035586 /nfs/dbraw/zinc/03/55/86/270035586.db2.gz MNTZUZCZHHYNLN-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532769 270035936 /nfs/dbraw/zinc/03/59/36/270035936.db2.gz MMZABOQSTMXRBW-NWDGAFQWSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532769 270035938 /nfs/dbraw/zinc/03/59/38/270035938.db2.gz MMZABOQSTMXRBW-NWDGAFQWSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1F ZINC000045094593 270038044 /nfs/dbraw/zinc/03/80/44/270038044.db2.gz DZNKMFXXJAUFGC-ZDUSSCGKSA-N 2 2 261.344 3.153 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000045094545 270038153 /nfs/dbraw/zinc/03/81/53/270038153.db2.gz KCOVESRCZNNJFR-GFCCVEGCSA-N 2 2 279.334 3.292 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000045094506 270038296 /nfs/dbraw/zinc/03/82/96/270038296.db2.gz YHXKTVLZWHZTMG-LBPRGKRZSA-N 2 2 279.334 3.292 20 0 CGADLP COCC[C@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184044620 270057111 /nfs/dbraw/zinc/05/71/11/270057111.db2.gz HARJLPVAFJWGBK-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP COCC[C@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184044620 270057112 /nfs/dbraw/zinc/05/71/12/270057112.db2.gz HARJLPVAFJWGBK-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000186215123 270065223 /nfs/dbraw/zinc/06/52/23/270065223.db2.gz FWPPKHNCLFOPIL-CYBMUJFWSA-N 2 2 281.469 3.403 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000250359563 270091455 /nfs/dbraw/zinc/09/14/55/270091455.db2.gz SVYLKMCSCRCSAV-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000250359563 270091456 /nfs/dbraw/zinc/09/14/56/270091456.db2.gz SVYLKMCSCRCSAV-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1C ZINC000520253986 270098737 /nfs/dbraw/zinc/09/87/37/270098737.db2.gz GZJUUFSALVEWAY-HUUCEWRRSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527854765 270139908 /nfs/dbraw/zinc/13/99/08/270139908.db2.gz XRBPLIKLHYKHIN-NVXWUHKLSA-N 2 2 295.430 3.252 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527889594 270142069 /nfs/dbraw/zinc/14/20/69/270142069.db2.gz GHWXOVSNSKKUIY-FZCLSBEQSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527889594 270142070 /nfs/dbraw/zinc/14/20/70/270142070.db2.gz GHWXOVSNSKKUIY-FZCLSBEQSA-N 2 2 284.447 3.285 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000527893924 270142565 /nfs/dbraw/zinc/14/25/65/270142565.db2.gz RKXFLVJMBXNEOQ-DLBZAZTESA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527896045 270142609 /nfs/dbraw/zinc/14/26/09/270142609.db2.gz BOKMLMCRWHTTII-JKSUJKDBSA-N 2 2 283.419 3.268 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527896045 270142610 /nfs/dbraw/zinc/14/26/10/270142610.db2.gz BOKMLMCRWHTTII-JKSUJKDBSA-N 2 2 283.419 3.268 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC12CC2 ZINC000527903668 270143292 /nfs/dbraw/zinc/14/32/92/270143292.db2.gz ZIQRPYJOLVANFE-CWLKWCNXSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC12CC2 ZINC000527903668 270143293 /nfs/dbraw/zinc/14/32/93/270143293.db2.gz ZIQRPYJOLVANFE-CWLKWCNXSA-N 2 2 284.447 3.428 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527915495 270143910 /nfs/dbraw/zinc/14/39/10/270143910.db2.gz NWQIZMRTRMFUAE-HNNXBMFYSA-N 2 2 293.773 3.032 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945375 270146244 /nfs/dbraw/zinc/14/62/44/270146244.db2.gz GIGVIZKXXKANOU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527945375 270146245 /nfs/dbraw/zinc/14/62/45/270146245.db2.gz GIGVIZKXXKANOU-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952463 270146521 /nfs/dbraw/zinc/14/65/21/270146521.db2.gz TWAZCVIWVADOLJ-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952463 270146522 /nfs/dbraw/zinc/14/65/22/270146522.db2.gz TWAZCVIWVADOLJ-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954424 270146926 /nfs/dbraw/zinc/14/69/26/270146926.db2.gz ZNZAIUXDUWOKKK-RHSMWYFYSA-N 2 2 288.435 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954424 270146927 /nfs/dbraw/zinc/14/69/27/270146927.db2.gz ZNZAIUXDUWOKKK-RHSMWYFYSA-N 2 2 288.435 3.450 20 0 CGADLP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527996150 270149578 /nfs/dbraw/zinc/14/95/78/270149578.db2.gz CNMZZPKDOUQZLZ-QGTPRVQTSA-N 2 2 299.418 3.479 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1C ZINC000528004851 270150329 /nfs/dbraw/zinc/15/03/29/270150329.db2.gz XVWUOINKYXZJFR-BVUBDWEXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1C ZINC000528004851 270150330 /nfs/dbraw/zinc/15/03/30/270150330.db2.gz XVWUOINKYXZJFR-BVUBDWEXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000528011982 270151042 /nfs/dbraw/zinc/15/10/42/270151042.db2.gz NDWUBMMVURNLLQ-QZTJIDSGSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccnc1 ZINC000528011982 270151043 /nfs/dbraw/zinc/15/10/43/270151043.db2.gz NDWUBMMVURNLLQ-QZTJIDSGSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(C)n1 ZINC000528013706 270151624 /nfs/dbraw/zinc/15/16/24/270151624.db2.gz TVGDCGZSKMAWNK-PBHICJAKSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(C)n1 ZINC000528013706 270151625 /nfs/dbraw/zinc/15/16/25/270151625.db2.gz TVGDCGZSKMAWNK-PBHICJAKSA-N 2 2 287.451 3.366 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529548987 270183923 /nfs/dbraw/zinc/18/39/23/270183923.db2.gz MWIWORIJKGQHOG-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529548987 270183924 /nfs/dbraw/zinc/18/39/24/270183924.db2.gz MWIWORIJKGQHOG-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218844 270196156 /nfs/dbraw/zinc/19/61/56/270196156.db2.gz JVQSHXALMMVAMC-LSDHHAIUSA-N 2 2 276.811 3.202 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199350 /nfs/dbraw/zinc/19/93/50/270199350.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199351 /nfs/dbraw/zinc/19/93/51/270199351.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199352 /nfs/dbraw/zinc/19/93/52/270199352.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000530359306 270199353 /nfs/dbraw/zinc/19/93/53/270199353.db2.gz MTYQHCILWLBESY-IKGGRYGDSA-N 2 2 292.467 3.037 20 0 CGADLP c1c(CC[NH2+]C2C3CC4CC(C3)CC2C4)[nH+]c2n1CCCC2 ZINC000531683523 270208701 /nfs/dbraw/zinc/20/87/01/270208701.db2.gz SQHHPVWJMXEENH-UHFFFAOYSA-N 2 2 299.462 3.176 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000531937021 270211065 /nfs/dbraw/zinc/21/10/65/270211065.db2.gz KACVSNGAVINUJE-FMKPAKJESA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000531937021 270211066 /nfs/dbraw/zinc/21/10/66/270211066.db2.gz KACVSNGAVINUJE-FMKPAKJESA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000531956585 270211461 /nfs/dbraw/zinc/21/14/61/270211461.db2.gz XYFOQIDMPVHBDL-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000531956585 270211462 /nfs/dbraw/zinc/21/14/62/270211462.db2.gz XYFOQIDMPVHBDL-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000532532374 270217119 /nfs/dbraw/zinc/21/71/19/270217119.db2.gz BBFFOCAYGBHAHN-QRQLOZEOSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000532532374 270217120 /nfs/dbraw/zinc/21/71/20/270217120.db2.gz BBFFOCAYGBHAHN-QRQLOZEOSA-N 2 2 286.463 3.329 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3c1cccc3F)CCC2 ZINC000338240279 274824327 /nfs/dbraw/zinc/82/43/27/274824327.db2.gz UFGSDOZFGBCCKM-DYVFJYSZSA-N 2 2 299.393 3.485 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c[nH+]1 ZINC000151141932 275072580 /nfs/dbraw/zinc/07/25/80/275072580.db2.gz XATUEGPEEVQLQR-INIZCTEOSA-N 2 2 297.402 3.309 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000344694108 275398846 /nfs/dbraw/zinc/39/88/46/275398846.db2.gz ATEMRSISOPUCQG-HKBKRHGFSA-N 2 2 290.476 3.117 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250329639 276167930 /nfs/dbraw/zinc/16/79/30/276167930.db2.gz OIICBQWJWXQGNI-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250329639 276167932 /nfs/dbraw/zinc/16/79/32/276167932.db2.gz OIICBQWJWXQGNI-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000414351433 276231550 /nfs/dbraw/zinc/23/15/50/276231550.db2.gz VTVFMMVUFYIGEQ-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000414351433 276231552 /nfs/dbraw/zinc/23/15/52/276231552.db2.gz VTVFMMVUFYIGEQ-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423397312 276270995 /nfs/dbraw/zinc/27/09/95/276270995.db2.gz UTPQBINBTLLYLW-DYVFJYSZSA-N 2 2 285.435 3.441 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000191543785 276324576 /nfs/dbraw/zinc/32/45/76/276324576.db2.gz OFHGMMJCPHXKJC-LSDHHAIUSA-N 2 2 270.486 3.078 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000191543785 276324577 /nfs/dbraw/zinc/32/45/77/276324577.db2.gz OFHGMMJCPHXKJC-LSDHHAIUSA-N 2 2 270.486 3.078 20 0 CGADLP CC[C@H](COC)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167877055 287887867 /nfs/dbraw/zinc/88/78/67/287887867.db2.gz FVSDFDSULVPOJO-GOEBONIOSA-N 2 2 278.440 3.130 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000350093602 277194332 /nfs/dbraw/zinc/19/43/32/277194332.db2.gz GCODQDXONPKVEC-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(OC)ccc2ccccc21 ZINC000156585106 277278699 /nfs/dbraw/zinc/27/86/99/277278699.db2.gz UVEOVTBZHURZLR-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(OC)ccc2ccccc21 ZINC000156585106 277278700 /nfs/dbraw/zinc/27/87/00/277278700.db2.gz UVEOVTBZHURZLR-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000390541257 287993980 /nfs/dbraw/zinc/99/39/80/287993980.db2.gz HIFSCYZGNIVELB-CYBMUJFWSA-N 2 2 295.377 3.075 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000393807376 288000827 /nfs/dbraw/zinc/00/08/27/288000827.db2.gz XJMJFEXWSFQHMH-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000393807376 288000830 /nfs/dbraw/zinc/00/08/30/288000830.db2.gz XJMJFEXWSFQHMH-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000370246630 278025612 /nfs/dbraw/zinc/02/56/12/278025612.db2.gz HHUICHXOVDTFLH-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422810367 278172867 /nfs/dbraw/zinc/17/28/67/278172867.db2.gz RQKZKEGHPFEJNJ-SMDDNHRTSA-N 2 2 282.428 3.168 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397657410 288026389 /nfs/dbraw/zinc/02/63/89/288026389.db2.gz DTIPAJNTCJTDKE-CVEARBPZSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668158 278276967 /nfs/dbraw/zinc/27/69/67/278276967.db2.gz BQMLBYRHPTZYQC-DVOMOZLQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668158 278276968 /nfs/dbraw/zinc/27/69/68/278276968.db2.gz BQMLBYRHPTZYQC-DVOMOZLQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022106716 278306943 /nfs/dbraw/zinc/30/69/43/278306943.db2.gz WDRMZLAEQGEDJL-LLVKDONJSA-N 2 2 272.314 3.062 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022106716 278306945 /nfs/dbraw/zinc/30/69/45/278306945.db2.gz WDRMZLAEQGEDJL-LLVKDONJSA-N 2 2 272.314 3.062 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1C ZINC000397996389 288037161 /nfs/dbraw/zinc/03/71/61/288037161.db2.gz QMYVSCDJGHCPBH-HNNXBMFYSA-N 2 2 260.425 3.357 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423284556 278366313 /nfs/dbraw/zinc/36/63/13/278366313.db2.gz WWSCKMCYUKKVKA-PELKAZGASA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000474929949 278410284 /nfs/dbraw/zinc/41/02/84/278410284.db2.gz WTLPXWVEWLTGPB-OFQRWUPVSA-N 2 2 275.440 3.392 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467545832 278497785 /nfs/dbraw/zinc/49/77/85/278497785.db2.gz HOWHUMYMDGAQEP-LSDHHAIUSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427892059 278734124 /nfs/dbraw/zinc/73/41/24/278734124.db2.gz MLDZENARDWJFSO-CQSZACIVSA-N 2 2 263.429 3.248 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361665354 279014841 /nfs/dbraw/zinc/01/48/41/279014841.db2.gz WIQCGTRUQIJTBD-MRRJBJDNSA-N 2 2 299.393 3.423 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744596 288097406 /nfs/dbraw/zinc/09/74/06/288097406.db2.gz VQTLRGKTSWUUSD-GDBMZVCRSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000466744596 288097408 /nfs/dbraw/zinc/09/74/08/288097408.db2.gz VQTLRGKTSWUUSD-GDBMZVCRSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@@H+]1C ZINC000453193930 279092923 /nfs/dbraw/zinc/09/29/23/279092923.db2.gz NKRBDOPMOLERNQ-KDOFPFPSSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@H+]1C ZINC000453193930 279092925 /nfs/dbraw/zinc/09/29/25/279092925.db2.gz NKRBDOPMOLERNQ-KDOFPFPSSA-N 2 2 272.436 3.006 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000488373995 279164438 /nfs/dbraw/zinc/16/44/38/279164438.db2.gz XUOXNHUSUJHLDW-DJIMGWMZSA-N 2 2 260.425 3.315 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC000300404574 279207685 /nfs/dbraw/zinc/20/76/85/279207685.db2.gz DECQUDSIXZREPO-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C1CC1 ZINC000300404574 279207686 /nfs/dbraw/zinc/20/76/86/279207686.db2.gz DECQUDSIXZREPO-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000359076144 279314039 /nfs/dbraw/zinc/31/40/39/279314039.db2.gz AKGMSTFBSRTUEC-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000359076144 279314042 /nfs/dbraw/zinc/31/40/42/279314042.db2.gz AKGMSTFBSRTUEC-XHSDSOJGSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000361979666 288124404 /nfs/dbraw/zinc/12/44/04/288124404.db2.gz BHCJQUSFOSVXDB-WQVCFCJDSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000361979666 288124406 /nfs/dbraw/zinc/12/44/06/288124406.db2.gz BHCJQUSFOSVXDB-WQVCFCJDSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000352904050 288125058 /nfs/dbraw/zinc/12/50/58/288125058.db2.gz RALJTMJFMKFUQQ-GAGVYUBLSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000352904050 288125060 /nfs/dbraw/zinc/12/50/60/288125060.db2.gz RALJTMJFMKFUQQ-GAGVYUBLSA-N 2 2 262.441 3.028 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423481940 280166571 /nfs/dbraw/zinc/16/65/71/280166571.db2.gz XAJHDOFHUWZJTR-HIFRSBDPSA-N 2 2 250.386 3.146 20 0 CGADLP c1ccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000224292929 280485358 /nfs/dbraw/zinc/48/53/58/280485358.db2.gz CGTUHIVFFJXNSV-WBVHZDCISA-N 2 2 290.476 3.166 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)ccc1F ZINC000427860529 280653541 /nfs/dbraw/zinc/65/35/41/280653541.db2.gz AQZCJFGXUKVIOO-MAUKXSAKSA-N 2 2 299.393 3.386 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)co2)cc1 ZINC000430555694 280727583 /nfs/dbraw/zinc/72/75/83/280727583.db2.gz PHXJAFXORROFON-KRWDZBQOSA-N 2 2 287.407 3.113 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530179321 288296491 /nfs/dbraw/zinc/29/64/91/288296491.db2.gz WUNKWPZQBYEUPI-ZDUSSCGKSA-N 2 2 285.218 3.368 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188881589 281292264 /nfs/dbraw/zinc/29/22/64/281292264.db2.gz HRSRGJHRRFSNBU-JJRVBVJISA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188881589 281292266 /nfs/dbraw/zinc/29/22/66/281292266.db2.gz HRSRGJHRRFSNBU-JJRVBVJISA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877555 281306395 /nfs/dbraw/zinc/30/63/95/281306395.db2.gz XYEXFUGYBMHPAL-IJEWVQPXSA-N 2 2 281.403 3.344 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)CCC2 ZINC000373071509 281552807 /nfs/dbraw/zinc/55/28/07/281552807.db2.gz SVZWOYMQBRZCQL-SNPRPXQTSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728966 288344293 /nfs/dbraw/zinc/34/42/93/288344293.db2.gz VARXFAWJECFODV-PBHICJAKSA-N 2 2 272.436 3.340 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728966 288344296 /nfs/dbraw/zinc/34/42/96/288344296.db2.gz VARXFAWJECFODV-PBHICJAKSA-N 2 2 272.436 3.340 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000532238659 288357208 /nfs/dbraw/zinc/35/72/08/288357208.db2.gz BALUEZUQRGXQTE-OWCLPIDISA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000532238659 288357212 /nfs/dbraw/zinc/35/72/12/288357212.db2.gz BALUEZUQRGXQTE-OWCLPIDISA-N 2 2 260.425 3.110 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000532238658 288357267 /nfs/dbraw/zinc/35/72/67/288357267.db2.gz BALUEZUQRGXQTE-OAGGEKHMSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000532238658 288357271 /nfs/dbraw/zinc/35/72/71/288357271.db2.gz BALUEZUQRGXQTE-OAGGEKHMSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000532246653 288358484 /nfs/dbraw/zinc/35/84/84/288358484.db2.gz ASGONKWMLOBIRD-HUUCEWRRSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000532246653 288358489 /nfs/dbraw/zinc/35/84/89/288358489.db2.gz ASGONKWMLOBIRD-HUUCEWRRSA-N 2 2 252.446 3.133 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085128168 282016305 /nfs/dbraw/zinc/01/63/05/282016305.db2.gz DHQCJEPCVNIRBP-MNOVXSKESA-N 2 2 266.351 3.037 20 0 CGADLP Cc1cccc2c(NCCCCn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000545910033 288907617 /nfs/dbraw/zinc/90/76/17/288907617.db2.gz XDARWIHWFLMTIL-UHFFFAOYSA-N 2 2 294.402 3.362 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000548885111 289027779 /nfs/dbraw/zinc/02/77/79/289027779.db2.gz NAUQXFXEBCYJKC-BMGDILEWSA-N 2 2 281.403 3.210 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000549623716 289048990 /nfs/dbraw/zinc/04/89/90/289048990.db2.gz CUNGCZINVKQPPQ-LXZKKBNFSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000549623716 289048992 /nfs/dbraw/zinc/04/89/92/289048992.db2.gz CUNGCZINVKQPPQ-LXZKKBNFSA-N 2 2 264.457 3.416 20 0 CGADLP C(C1CCCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551042529 289096451 /nfs/dbraw/zinc/09/64/51/289096451.db2.gz NNCYRTKQMQVOHW-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(C1CCCCCC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551042529 289096453 /nfs/dbraw/zinc/09/64/53/289096453.db2.gz NNCYRTKQMQVOHW-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554071669 289255126 /nfs/dbraw/zinc/25/51/26/289255126.db2.gz LBVDUQZNZVEUSA-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000554071669 289255127 /nfs/dbraw/zinc/25/51/27/289255127.db2.gz LBVDUQZNZVEUSA-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554088484 289256755 /nfs/dbraw/zinc/25/67/55/289256755.db2.gz LJFHYWFOSAXEPG-DOTOQJQBSA-N 2 2 262.441 3.328 20 0 CGADLP Fc1ccc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)[nH]c2c1 ZINC000556405563 289389866 /nfs/dbraw/zinc/38/98/66/289389866.db2.gz BSTSUBZTFUSAEP-UHFFFAOYSA-N 2 2 298.365 3.130 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000346804632 290045135 /nfs/dbraw/zinc/04/51/35/290045135.db2.gz HJNKRVDMVRWPJM-ZENOOKHLSA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1N(C)C ZINC000346804632 290045136 /nfs/dbraw/zinc/04/51/36/290045136.db2.gz HJNKRVDMVRWPJM-ZENOOKHLSA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224203365 290225783 /nfs/dbraw/zinc/22/57/83/290225783.db2.gz XLORICCAYVICCU-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224203365 290225785 /nfs/dbraw/zinc/22/57/85/290225785.db2.gz XLORICCAYVICCU-ZJUUUORDSA-N 2 2 273.207 3.335 20 0 CGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CCC[NH2+]1 ZINC000423422446 293293780 /nfs/dbraw/zinc/29/37/80/293293780.db2.gz KOXPVYOXWZOGNZ-FUHWJXTLSA-N 2 2 290.451 3.031 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000422870197 294762278 /nfs/dbraw/zinc/76/22/78/294762278.db2.gz BLQLGESZZWNQQQ-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423195172 295385840 /nfs/dbraw/zinc/38/58/40/295385840.db2.gz SJVHYJYVHIEAHS-QAPCUYQASA-N 2 2 288.435 3.268 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000294736515 297191841 /nfs/dbraw/zinc/19/18/41/297191841.db2.gz JNPFITIKYVDFPO-DJIMGWMZSA-N 2 2 290.476 3.165 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423287958 301288421 /nfs/dbraw/zinc/28/84/21/301288421.db2.gz PPXTYPCHNXZOCI-CYBMUJFWSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423315451 301288683 /nfs/dbraw/zinc/28/86/83/301288683.db2.gz ATKDYQGEYLMWHI-CQSZACIVSA-N 2 2 294.826 3.333 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CCC2)o1 ZINC000423277058 301806324 /nfs/dbraw/zinc/80/63/24/301806324.db2.gz PAMUGYLAJDHCIH-DZGCQCFKSA-N 2 2 250.386 3.002 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000158610215 321819367 /nfs/dbraw/zinc/81/93/67/321819367.db2.gz CIGFJDDKTSSRLZ-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000564741085 322041364 /nfs/dbraw/zinc/04/13/64/322041364.db2.gz GFWKNBJVNHOWIB-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000564741085 322041366 /nfs/dbraw/zinc/04/13/66/322041366.db2.gz GFWKNBJVNHOWIB-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[NH+](C)C)cc1 ZINC000566038710 322101391 /nfs/dbraw/zinc/10/13/91/322101391.db2.gz HNBDPCZCZZAHRC-IBGZPJMESA-N 2 2 298.430 3.130 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000566365951 322119082 /nfs/dbraw/zinc/11/90/82/322119082.db2.gz ZXKKLQRNGGVHHI-JIMOISOXSA-N 2 2 296.867 3.461 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000566365951 322119083 /nfs/dbraw/zinc/11/90/83/322119083.db2.gz ZXKKLQRNGGVHHI-JIMOISOXSA-N 2 2 296.867 3.461 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000566978741 322145679 /nfs/dbraw/zinc/14/56/79/322145679.db2.gz XOQKTSBCSVJQPB-LLVKDONJSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000567375300 322161067 /nfs/dbraw/zinc/16/10/67/322161067.db2.gz NYLHKZXQEOJCNP-ZBEGNZNMSA-N 2 2 290.407 3.174 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)CCc1cccs1 ZINC000567759937 322176742 /nfs/dbraw/zinc/17/67/42/322176742.db2.gz GLLVDLDJNXPVKJ-UHFFFAOYSA-N 2 2 260.406 3.169 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C)CCc1cccs1 ZINC000567759937 322176743 /nfs/dbraw/zinc/17/67/43/322176743.db2.gz GLLVDLDJNXPVKJ-UHFFFAOYSA-N 2 2 260.406 3.169 20 0 CGADLP COc1ccc(C2CCC([NH2+][C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000567939538 322184842 /nfs/dbraw/zinc/18/48/42/322184842.db2.gz FOAINAGOPNMJID-UQPPLGOBSA-N 2 2 290.451 3.261 20 0 CGADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000568416542 322208693 /nfs/dbraw/zinc/20/86/93/322208693.db2.gz WXMAFOLBTLNHIW-UHFFFAOYSA-N 2 2 289.423 3.001 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000569410627 322246453 /nfs/dbraw/zinc/24/64/53/322246453.db2.gz CLBLBZPWPSWMEA-MLGOLLRUSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000569410627 322246454 /nfs/dbraw/zinc/24/64/54/322246454.db2.gz CLBLBZPWPSWMEA-MLGOLLRUSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000569410627 322246456 /nfs/dbraw/zinc/24/64/56/322246456.db2.gz CLBLBZPWPSWMEA-MLGOLLRUSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000569410627 322246458 /nfs/dbraw/zinc/24/64/58/322246458.db2.gz CLBLBZPWPSWMEA-MLGOLLRUSA-N 2 2 296.842 3.121 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000569474235 322248312 /nfs/dbraw/zinc/24/83/12/322248312.db2.gz MUSBVUUDPKALOG-IUODEOHRSA-N 2 2 273.380 3.470 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H]1CCn2cc[nH+]c2C1 ZINC000570628332 322278252 /nfs/dbraw/zinc/27/82/52/322278252.db2.gz RSZVVRNUEXZKLI-ZDUSSCGKSA-N 2 2 278.359 3.167 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000570707051 322280209 /nfs/dbraw/zinc/28/02/09/322280209.db2.gz HXZSNVPVGPSFNS-USXIJHARSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570707051 322280210 /nfs/dbraw/zinc/28/02/10/322280210.db2.gz HXZSNVPVGPSFNS-USXIJHARSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@H](C[NH2+]CC1Cc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC000571370079 322296898 /nfs/dbraw/zinc/29/68/98/322296898.db2.gz UGGURLPGKJBIJF-MRXNPFEDSA-N 2 2 286.463 3.111 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000571469471 322299746 /nfs/dbraw/zinc/29/97/46/322299746.db2.gz YBBOAQFVHJUOHX-JKSUJKDBSA-N 2 2 269.392 3.397 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000572879740 322359140 /nfs/dbraw/zinc/35/91/40/322359140.db2.gz USVVTEGJLYJMLU-WFRZBGSESA-N 2 2 296.389 3.266 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000572879740 322359141 /nfs/dbraw/zinc/35/91/41/322359141.db2.gz USVVTEGJLYJMLU-WFRZBGSESA-N 2 2 296.389 3.266 20 0 CGADLP CCC[N@H+](CCc1cc[nH+]cc1C)C[C@@H]1CCCCO1 ZINC000573202696 322375385 /nfs/dbraw/zinc/37/53/85/322375385.db2.gz BQTJLCRGZSYUQK-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)C[C@@H]1CCCCO1 ZINC000573202696 322375387 /nfs/dbraw/zinc/37/53/87/322375387.db2.gz BQTJLCRGZSYUQK-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573335408 322382841 /nfs/dbraw/zinc/38/28/41/322382841.db2.gz RIJIYJKCSCSBJH-INIZCTEOSA-N 2 2 298.434 3.236 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000573533096 322392772 /nfs/dbraw/zinc/39/27/72/322392772.db2.gz XKSPQGSSHSXGMG-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000573533096 322392773 /nfs/dbraw/zinc/39/27/73/322392773.db2.gz XKSPQGSSHSXGMG-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCCC2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000573711602 322402862 /nfs/dbraw/zinc/40/28/62/322402862.db2.gz RMQNXACUXUACEB-ZWKOTPCHSA-N 2 2 288.435 3.268 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)n1C ZINC000573744148 322404838 /nfs/dbraw/zinc/40/48/38/322404838.db2.gz YYESQYSOPHFLDH-UHFFFAOYSA-N 2 2 283.297 3.037 20 0 CGADLP CCc1cccc2c(CC[NH2+]Cc3c[nH+]c(C)n3C)c[nH]c21 ZINC000575762821 322488518 /nfs/dbraw/zinc/48/85/18/322488518.db2.gz HMKGMAOXLLEKGU-UHFFFAOYSA-N 2 2 296.418 3.105 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)n1C ZINC000584422420 329466623 /nfs/dbraw/zinc/46/66/23/329466623.db2.gz WLRMIPHRZJYSBD-SNVBAGLBSA-N 2 2 295.333 3.181 20 0 CGADLP COc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423535293 533712474 /nfs/dbraw/zinc/71/24/74/533712474.db2.gz XIPYNNQSDZQFSF-MDASCCDHSA-N 2 2 296.414 3.101 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000576273509 335180556 /nfs/dbraw/zinc/18/05/56/335180556.db2.gz AKHPPZRHIXDYBZ-CABCVRRESA-N 2 2 292.471 3.133 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000576273509 335180557 /nfs/dbraw/zinc/18/05/57/335180557.db2.gz AKHPPZRHIXDYBZ-CABCVRRESA-N 2 2 292.471 3.133 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@@H+]1C ZINC000576310295 335188049 /nfs/dbraw/zinc/18/80/49/335188049.db2.gz BFYLKAJRCWRXMS-VXGBXAGGSA-N 2 2 295.390 3.006 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@H+]1C ZINC000576310295 335188050 /nfs/dbraw/zinc/18/80/50/335188050.db2.gz BFYLKAJRCWRXMS-VXGBXAGGSA-N 2 2 295.390 3.006 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)n1C ZINC000576410399 335200112 /nfs/dbraw/zinc/20/01/12/335200112.db2.gz JLWNXAYSDKVSDK-UHFFFAOYSA-N 2 2 277.799 3.407 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccccc3)CCCC2)n1C ZINC000577077064 335296402 /nfs/dbraw/zinc/29/64/02/335296402.db2.gz GUFWHOXYBYGZJP-UHFFFAOYSA-N 2 2 269.392 3.288 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000577125208 335305062 /nfs/dbraw/zinc/30/50/62/335305062.db2.gz OALLSULWXGVNAA-OLZOCXBDSA-N 2 2 261.413 3.216 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000577125208 335305063 /nfs/dbraw/zinc/30/50/63/335305063.db2.gz OALLSULWXGVNAA-OLZOCXBDSA-N 2 2 261.413 3.216 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(C)CC1)c1cccc(OC)c1 ZINC000577591791 335374975 /nfs/dbraw/zinc/37/49/75/335374975.db2.gz MVPKXKGSWTXMDJ-KRWDZBQOSA-N 2 2 290.451 3.468 20 0 CGADLP c1cn(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)c[nH+]1 ZINC000177933474 335406063 /nfs/dbraw/zinc/40/60/63/335406063.db2.gz WXSKWCMRPVTXCI-UHFFFAOYSA-N 2 2 281.403 3.210 20 0 CGADLP CC[C@H](NC[C@@H](CC(C)C)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182328211 335810869 /nfs/dbraw/zinc/81/08/69/335810869.db2.gz MTCSJZVFNRJINR-CVEARBPZSA-N 2 2 294.487 3.217 20 0 CGADLP Fc1ccc2c(cc[nH+]c2NC2CC[NH+](CC3CC3)CC2)c1 ZINC000580712042 335958836 /nfs/dbraw/zinc/95/88/36/335958836.db2.gz OHHFGXMEFOKDPK-UHFFFAOYSA-N 2 2 299.393 3.082 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCCC1 ZINC000581245713 336030944 /nfs/dbraw/zinc/03/09/44/336030944.db2.gz SRIADIGOPPKPDS-HNNXBMFYSA-N 2 2 290.455 3.282 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000381725612 336071913 /nfs/dbraw/zinc/07/19/13/336071913.db2.gz KHHLLTTUSALPEI-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000381725612 336071915 /nfs/dbraw/zinc/07/19/15/336071915.db2.gz KHHLLTTUSALPEI-MXSMSXNCSA-N 2 2 272.436 3.428 20 0 CGADLP CC/C=C/C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384745010 336130302 /nfs/dbraw/zinc/13/03/02/336130302.db2.gz MQKZNJPODWGONH-ISZGNANSSA-N 2 2 255.365 3.489 20 0 CGADLP COc1ccccc1C(C)(C)[NH2+]CCc1cc[nH+]cc1C ZINC000581940887 336173449 /nfs/dbraw/zinc/17/34/49/336173449.db2.gz FWKQUILHEZQMMB-UHFFFAOYSA-N 2 2 284.403 3.466 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000581951591 336178286 /nfs/dbraw/zinc/17/82/86/336178286.db2.gz HEQJDRHFYLHUTA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000581951591 336178287 /nfs/dbraw/zinc/17/82/87/336178287.db2.gz HEQJDRHFYLHUTA-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP c1cn(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000540576052 500690157 /nfs/dbraw/zinc/69/01/57/500690157.db2.gz SGDRBVTVHZYGRT-DLBZAZTESA-N 2 2 269.392 3.057 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361967070 500723617 /nfs/dbraw/zinc/72/36/17/500723617.db2.gz PSXPDSVFTVCBTQ-CVEARBPZSA-N 2 2 278.465 3.165 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094827133 521580245 /nfs/dbraw/zinc/58/02/45/521580245.db2.gz HASSZECTBAKVOV-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CCC[N@H+](C)[C@@H]3C)cccc12 ZINC000449233228 533838289 /nfs/dbraw/zinc/83/82/89/533838289.db2.gz KPGILTQZCBKOCC-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CCC[N@@H+](C)[C@@H]3C)cccc12 ZINC000449233228 533838296 /nfs/dbraw/zinc/83/82/96/533838296.db2.gz KPGILTQZCBKOCC-RDTXWAMCSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435520 533869270 /nfs/dbraw/zinc/86/92/70/533869270.db2.gz BZNAMAFFVMYQOE-INIZCTEOSA-N 2 2 297.402 3.005 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130192210 533960293 /nfs/dbraw/zinc/96/02/93/533960293.db2.gz PBKZGNOYKTYTLZ-BPLDGKMQSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130192210 533960300 /nfs/dbraw/zinc/96/03/00/533960300.db2.gz PBKZGNOYKTYTLZ-BPLDGKMQSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1C ZINC000423407063 533965050 /nfs/dbraw/zinc/96/50/50/533965050.db2.gz VGEWGOSDAMIOND-COCCGSRQSA-N 2 2 268.404 3.474 20 0 CGADLP Cc1cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000423899813 533980455 /nfs/dbraw/zinc/98/04/55/533980455.db2.gz HKINSQJFRCDVFW-INIZCTEOSA-N 2 2 299.374 3.104 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000449109444 534259218 /nfs/dbraw/zinc/25/92/18/534259218.db2.gz WUIHOLDWBNETHO-HOTGVXAUSA-N 2 2 298.430 3.247 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000449109444 534259220 /nfs/dbraw/zinc/25/92/20/534259220.db2.gz WUIHOLDWBNETHO-HOTGVXAUSA-N 2 2 298.430 3.247 20 0 CGADLP CC(C)c1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000150892950 519877875 /nfs/dbraw/zinc/87/78/75/519877875.db2.gz HLGVMGKJPAOFGD-HNNXBMFYSA-N 2 2 288.439 3.055 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)[nH+]c1 ZINC000414193416 534494712 /nfs/dbraw/zinc/49/47/12/534494712.db2.gz MUIIDLKVIMLAPL-AEFFLSMTSA-N 2 2 299.462 3.466 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C(C1CCC1)C1CCC1)CCCC2 ZINC000367436075 534538418 /nfs/dbraw/zinc/53/84/18/534538418.db2.gz DNQUBDZBUOLITQ-UHFFFAOYSA-N 2 2 273.424 3.278 20 0 CGADLP Cc1cnc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000449104700 534554653 /nfs/dbraw/zinc/55/46/53/534554653.db2.gz WSKBAMBAXWRTAQ-UHFFFAOYSA-N 2 2 286.404 3.050 20 0 CGADLP CC[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000088525244 521967811 /nfs/dbraw/zinc/96/78/11/521967811.db2.gz ZPJQNGVALBAMIW-MRXNPFEDSA-N 2 2 289.467 3.066 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000088525244 521967820 /nfs/dbraw/zinc/96/78/20/521967820.db2.gz ZPJQNGVALBAMIW-MRXNPFEDSA-N 2 2 289.467 3.066 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423251458 534635207 /nfs/dbraw/zinc/63/52/07/534635207.db2.gz WGKUFUAEWKUENW-UONOGXRCSA-N 2 2 287.432 3.119 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1F ZINC000084864022 522936523 /nfs/dbraw/zinc/93/65/23/522936523.db2.gz VEXRBQOHEKMLTE-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1F ZINC000084864022 522936531 /nfs/dbraw/zinc/93/65/31/522936531.db2.gz VEXRBQOHEKMLTE-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1F ZINC000084864022 522936539 /nfs/dbraw/zinc/93/65/39/522936539.db2.gz VEXRBQOHEKMLTE-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1F ZINC000084864022 522936544 /nfs/dbraw/zinc/93/65/44/522936544.db2.gz VEXRBQOHEKMLTE-OAHLLOKOSA-N 2 2 282.378 3.271 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000049554080 524164206 /nfs/dbraw/zinc/16/42/06/524164206.db2.gz VRNQJVJBRRGPNL-SNVBAGLBSA-N 2 2 292.395 3.165 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1cccc(C)c1 ZINC000449038735 534779905 /nfs/dbraw/zinc/77/99/05/534779905.db2.gz WXATYBMOMXFKAK-SFHVURJKSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1cccc(C)c1 ZINC000449038735 534779911 /nfs/dbraw/zinc/77/99/11/534779911.db2.gz WXATYBMOMXFKAK-SFHVURJKSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000358483376 534818520 /nfs/dbraw/zinc/81/85/20/534818520.db2.gz KXXBLVAYWCHPLQ-UONOGXRCSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000358483376 534818525 /nfs/dbraw/zinc/81/85/25/534818525.db2.gz KXXBLVAYWCHPLQ-UONOGXRCSA-N 2 2 293.480 3.194 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000054765225 525478470 /nfs/dbraw/zinc/47/84/70/525478470.db2.gz INOCKXWGQCESQH-VIFPVBQESA-N 2 2 280.169 3.023 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000449071374 527829972 /nfs/dbraw/zinc/82/99/72/527829972.db2.gz BHYJLNKUTIKGPN-XHSDSOJGSA-N 2 2 263.429 3.466 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336882 527833900 /nfs/dbraw/zinc/83/39/00/527833900.db2.gz MGCVMFLXKYQMNP-GUYCJALGSA-N 2 2 296.405 3.435 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336882 527833904 /nfs/dbraw/zinc/83/39/04/527833904.db2.gz MGCVMFLXKYQMNP-GUYCJALGSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336882 527833906 /nfs/dbraw/zinc/83/39/06/527833906.db2.gz MGCVMFLXKYQMNP-GUYCJALGSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336882 527833910 /nfs/dbraw/zinc/83/39/10/527833910.db2.gz MGCVMFLXKYQMNP-GUYCJALGSA-N 2 2 296.405 3.435 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)s2)C1 ZINC000438850933 527836727 /nfs/dbraw/zinc/83/67/27/527836727.db2.gz JDUDBRMFCKOEMH-GFCCVEGCSA-N 2 2 284.494 3.244 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)s2)C1 ZINC000438850933 527836729 /nfs/dbraw/zinc/83/67/29/527836729.db2.gz JDUDBRMFCKOEMH-GFCCVEGCSA-N 2 2 284.494 3.244 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000438850933 527836733 /nfs/dbraw/zinc/83/67/33/527836733.db2.gz JDUDBRMFCKOEMH-GFCCVEGCSA-N 2 2 284.494 3.244 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC)s2)C1 ZINC000438850933 527836743 /nfs/dbraw/zinc/83/67/43/527836743.db2.gz JDUDBRMFCKOEMH-GFCCVEGCSA-N 2 2 284.494 3.244 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccoc1 ZINC000423338108 527845785 /nfs/dbraw/zinc/84/57/85/527845785.db2.gz VQZNRBCKQCFGGY-AWEZNQCLSA-N 2 2 250.386 3.228 20 0 CGADLP CC1(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000361436222 527926289 /nfs/dbraw/zinc/92/62/89/527926289.db2.gz SCJSFVLOMONRJS-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP CC(C)C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000359387404 528064589 /nfs/dbraw/zinc/06/45/89/528064589.db2.gz YAASLLMMDQPMOT-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000359387404 528064592 /nfs/dbraw/zinc/06/45/92/528064592.db2.gz YAASLLMMDQPMOT-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000358158234 528118575 /nfs/dbraw/zinc/11/85/75/528118575.db2.gz ACHGEOMGSSZFPO-UHFFFAOYSA-N 2 2 296.361 3.030 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000358158234 528118581 /nfs/dbraw/zinc/11/85/81/528118581.db2.gz ACHGEOMGSSZFPO-UHFFFAOYSA-N 2 2 296.361 3.030 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000358261826 528120230 /nfs/dbraw/zinc/12/02/30/528120230.db2.gz WQGLKKCHOAIMEK-MRXNPFEDSA-N 2 2 287.451 3.055 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000358261826 528120235 /nfs/dbraw/zinc/12/02/35/528120235.db2.gz WQGLKKCHOAIMEK-MRXNPFEDSA-N 2 2 287.451 3.055 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423252564 528222193 /nfs/dbraw/zinc/22/21/93/528222193.db2.gz XQMHGHPPLAMBEI-CVEARBPZSA-N 2 2 269.392 3.212 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccc(OC)cc1 ZINC000423390889 528223176 /nfs/dbraw/zinc/22/31/76/528223176.db2.gz WLASCKMGBUACJJ-CJNGLKHVSA-N 2 2 264.413 3.124 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1SCC ZINC000423248876 528330649 /nfs/dbraw/zinc/33/06/49/528330649.db2.gz REVLOJZEMJOTKC-LBPRGKRZSA-N 2 2 252.427 3.059 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000423239820 528330897 /nfs/dbraw/zinc/33/08/97/528330897.db2.gz SOOWHVPOKFUXLR-VIFPVBQESA-N 2 2 291.258 3.079 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423370671 528420254 /nfs/dbraw/zinc/42/02/54/528420254.db2.gz DSCVUVRKFQHYKE-CYBMUJFWSA-N 2 2 266.388 3.344 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423383945 528422383 /nfs/dbraw/zinc/42/23/83/528422383.db2.gz PMOANUHKWYREKB-YPMHNXCESA-N 2 2 290.407 3.398 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000423379132 528423891 /nfs/dbraw/zinc/42/38/91/528423891.db2.gz LRFMWEPDACCJRG-ZIAGYGMSSA-N 2 2 256.393 3.488 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423287139 528475012 /nfs/dbraw/zinc/47/50/12/528475012.db2.gz KMMGHWXLPQPVSH-JTQLQIEISA-N 2 2 270.804 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423306338 528513277 /nfs/dbraw/zinc/51/32/77/528513277.db2.gz DNPATVPSSALXIS-AWEZNQCLSA-N 2 2 254.805 3.380 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423400222 528589240 /nfs/dbraw/zinc/58/92/40/528589240.db2.gz WVTRWHMLOGQRAF-JKSUJKDBSA-N 2 2 275.440 3.147 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423233545 528595845 /nfs/dbraw/zinc/59/58/45/528595845.db2.gz DQSNTFYDYYUCML-KDOFPFPSSA-N 2 2 284.403 3.436 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423233544 528607055 /nfs/dbraw/zinc/60/70/55/528607055.db2.gz DQSNTFYDYYUCML-KBXCAEBGSA-N 2 2 284.403 3.436 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc21 ZINC000423281102 528701014 /nfs/dbraw/zinc/70/10/14/528701014.db2.gz UUDSGCFVOVYVMY-JSGCOSHPSA-N 2 2 290.407 3.465 20 0 CGADLP CC(C)[NH+](CCCNc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000173919275 528886103 /nfs/dbraw/zinc/88/61/03/528886103.db2.gz HDCPFAVAMKLVCG-UHFFFAOYSA-N 2 2 276.428 3.275 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423301973 528957368 /nfs/dbraw/zinc/95/73/68/528957368.db2.gz UVCJPRXSLFPMFQ-VXGBXAGGSA-N 2 2 281.469 3.190 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1F ZINC000423298064 528958180 /nfs/dbraw/zinc/95/81/80/528958180.db2.gz MZBMCIUSJVXGAZ-IUODEOHRSA-N 2 2 252.377 3.384 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424333960 529001928 /nfs/dbraw/zinc/00/19/28/529001928.db2.gz UZNKDTZBWYPSPW-IRXDYDNUSA-N 2 2 276.399 3.086 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449141489 529014563 /nfs/dbraw/zinc/01/45/63/529014563.db2.gz LTYXEKJIIHKCKD-GPANFISMSA-N 2 2 284.513 3.372 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449141489 529014569 /nfs/dbraw/zinc/01/45/69/529014569.db2.gz LTYXEKJIIHKCKD-GPANFISMSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423273614 529070103 /nfs/dbraw/zinc/07/01/03/529070103.db2.gz KSWMECUGFTYONQ-BXKDBHETSA-N 2 2 290.329 3.061 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423285429 529070685 /nfs/dbraw/zinc/07/06/85/529070685.db2.gz ZHPCYMLXJVWWAX-CMPLNLGQSA-N 2 2 290.329 3.219 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(F)c1 ZINC000414129585 529121013 /nfs/dbraw/zinc/12/10/13/529121013.db2.gz VFZJCLLWKJHWDR-INIZCTEOSA-N 2 2 293.361 3.228 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423237252 529178463 /nfs/dbraw/zinc/17/84/63/529178463.db2.gz HYVLBRUWULNLLF-DLBZAZTESA-N 2 2 254.377 3.427 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423543029 529202515 /nfs/dbraw/zinc/20/25/15/529202515.db2.gz BNSDXNHUAUNDSP-TZMCWYRMSA-N 2 2 298.377 3.471 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000368495111 529231135 /nfs/dbraw/zinc/23/11/35/529231135.db2.gz ILHZGLIWQUPINV-KBPBESRZSA-N 2 2 261.413 3.278 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414121731 529247444 /nfs/dbraw/zinc/24/74/44/529247444.db2.gz HRSRKFJOVZNNIX-ZDUSSCGKSA-N 2 2 289.448 3.425 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000225001264 535161495 /nfs/dbraw/zinc/16/14/95/535161495.db2.gz WNSCSTRCIRPIKA-LBPRGKRZSA-N 2 2 282.378 3.488 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCCC1 ZINC000486982541 535191450 /nfs/dbraw/zinc/19/14/50/535191450.db2.gz BJQIXQGFACYKDL-JKSUJKDBSA-N 2 2 284.513 3.230 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000479563588 535432087 /nfs/dbraw/zinc/43/20/87/535432087.db2.gz NKRFSWXULCXTAT-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000479563588 535432091 /nfs/dbraw/zinc/43/20/91/535432091.db2.gz NKRFSWXULCXTAT-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000125222672 535457262 /nfs/dbraw/zinc/45/72/62/535457262.db2.gz BLQATGFADOBFCC-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000125222672 535457267 /nfs/dbraw/zinc/45/72/67/535457267.db2.gz BLQATGFADOBFCC-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494415983 535742405 /nfs/dbraw/zinc/74/24/05/535742405.db2.gz ZKWJEPIDEQSOLG-CQSZACIVSA-N 2 2 287.432 3.100 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)s1 ZINC000252514152 571919600 /nfs/dbraw/zinc/91/96/00/571919600.db2.gz FGANQXCFJSESOA-BPNCWPANSA-N 2 2 279.453 3.037 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000252514152 571919604 /nfs/dbraw/zinc/91/96/04/571919604.db2.gz FGANQXCFJSESOA-BPNCWPANSA-N 2 2 279.453 3.037 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000742370405 572568425 /nfs/dbraw/zinc/56/84/25/572568425.db2.gz RIHVSJXKSUQLQA-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000742370405 572568431 /nfs/dbraw/zinc/56/84/31/572568431.db2.gz RIHVSJXKSUQLQA-QGZVFWFLSA-N 2 2 296.414 3.156 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000742377364 572570686 /nfs/dbraw/zinc/57/06/86/572570686.db2.gz BQJXEPJXBJLQLB-UHFFFAOYSA-N 2 2 287.451 3.254 20 0 CGADLP CCCC1CCC([NH2+]CC[N@@H+]2CCC[C@H]2C)CC1 ZINC000742386326 572573667 /nfs/dbraw/zinc/57/36/67/572573667.db2.gz APSVMYUKQABOJZ-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([NH2+]CC[N@H+]2CCC[C@H]2C)CC1 ZINC000742386326 572573672 /nfs/dbraw/zinc/57/36/72/572573672.db2.gz APSVMYUKQABOJZ-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926503071 618714089 /nfs/dbraw/zinc/71/40/89/618714089.db2.gz SAUUYSIQCJQTNS-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926503071 618714091 /nfs/dbraw/zinc/71/40/91/618714091.db2.gz SAUUYSIQCJQTNS-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP Cc1nc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc1C ZINC000892591334 618869097 /nfs/dbraw/zinc/86/90/97/618869097.db2.gz FFWYFNRJCHPEKZ-STQMWFEESA-N 2 2 295.496 3.218 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182633560 619038865 /nfs/dbraw/zinc/03/88/65/619038865.db2.gz KYRNYMCAUFHRSB-GJZGRUSLSA-N 2 2 275.440 3.285 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925645577 619104227 /nfs/dbraw/zinc/10/42/27/619104227.db2.gz QRMXDVIBYWCDRC-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000893361509 619136789 /nfs/dbraw/zinc/13/67/89/619136789.db2.gz PVEJLKXVMKXTSW-UHFFFAOYSA-N 2 2 298.434 3.267 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000925783052 619244726 /nfs/dbraw/zinc/24/47/26/619244726.db2.gz BUZYNRGJHORAKB-SNUQEOBHSA-N 2 2 284.403 3.107 20 0 CGADLP CCc1onc(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925889146 619308885 /nfs/dbraw/zinc/30/88/85/619308885.db2.gz HPODHILYVCPOCJ-WBVHZDCISA-N 2 2 299.418 3.128 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262012273 619522184 /nfs/dbraw/zinc/52/21/84/619522184.db2.gz MIDDUEJLOWDLTR-KBXCAEBGSA-N 2 2 298.430 3.406 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262012273 619522188 /nfs/dbraw/zinc/52/21/88/619522188.db2.gz MIDDUEJLOWDLTR-KBXCAEBGSA-N 2 2 298.430 3.406 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCO2 ZINC000262057385 619641181 /nfs/dbraw/zinc/64/11/81/619641181.db2.gz DQGQFUJIZQKMMC-IUIKQTSFSA-N 2 2 296.370 3.211 20 0 CGADLP CS[C@@H]1CC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112665 619736260 /nfs/dbraw/zinc/73/62/60/619736260.db2.gz CRKSUVMTWMGTGA-ZQDZILKHSA-N 2 2 291.464 3.052 20 0 CGADLP Cc1coc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895114257 619736811 /nfs/dbraw/zinc/73/68/11/619736811.db2.gz JOVYCJXLYHDSDH-SHTZXODSSA-N 2 2 285.391 3.260 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000895190581 619774704 /nfs/dbraw/zinc/77/47/04/619774704.db2.gz VIEVPUMJGXMFMI-ROUUACIJSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000895190581 619774706 /nfs/dbraw/zinc/77/47/06/619774706.db2.gz VIEVPUMJGXMFMI-ROUUACIJSA-N 2 2 299.462 3.151 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895298204 619798796 /nfs/dbraw/zinc/79/87/96/619798796.db2.gz UZDWSSMSZNUDGG-LBPRGKRZSA-N 2 2 286.366 3.026 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895298203 619798859 /nfs/dbraw/zinc/79/88/59/619798859.db2.gz UZDWSSMSZNUDGG-GFCCVEGCSA-N 2 2 286.366 3.026 20 0 CGADLP CC(C)n1cncc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895380275 619817237 /nfs/dbraw/zinc/81/72/37/619817237.db2.gz NZLNACPDKWZXOK-DOTOQJQBSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1cncc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895380275 619817238 /nfs/dbraw/zinc/81/72/38/619817238.db2.gz NZLNACPDKWZXOK-DOTOQJQBSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)OC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000895707587 619873097 /nfs/dbraw/zinc/87/30/97/619873097.db2.gz UEBKTOORTFAHAE-ABHNRTSZSA-N 2 2 299.418 3.170 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000898031988 620469549 /nfs/dbraw/zinc/46/95/49/620469549.db2.gz SDMCDJLAXZVNRU-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000898031988 620469550 /nfs/dbraw/zinc/46/95/50/620469550.db2.gz SDMCDJLAXZVNRU-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000902345748 621257517 /nfs/dbraw/zinc/25/75/17/621257517.db2.gz LEZJWFNCGAQCAV-HNNXBMFYSA-N 2 2 299.418 3.209 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000902439918 621320196 /nfs/dbraw/zinc/32/01/96/621320196.db2.gz VAJOJBNBMCYIEK-KZNAEPCWSA-N 2 2 282.362 3.027 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902474436 621325358 /nfs/dbraw/zinc/32/53/58/621325358.db2.gz FCOXHBDRMNJUFI-YYIAUSFCSA-N 2 2 256.393 3.010 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C2CC2)c1 ZINC000902460016 621336071 /nfs/dbraw/zinc/33/60/71/621336071.db2.gz FHWXXWQAIMPMJR-GLZXHMCRSA-N 2 2 256.393 3.108 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc2ccccc21 ZINC000902465463 621338355 /nfs/dbraw/zinc/33/83/55/621338355.db2.gz GBZSXAYOSRKPJO-MZTNWIODSA-N 2 2 266.388 3.383 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902780831 621438468 /nfs/dbraw/zinc/43/84/68/621438468.db2.gz URHDLKGKMZUKJO-QWRGUYRKSA-N 2 2 289.345 3.091 20 0 CGADLP C[C@H](C[NH2+][C@H](CCc1cccnc1)c1ccccc1)[NH+](C)C ZINC000902794285 621449821 /nfs/dbraw/zinc/44/98/21/621449821.db2.gz UYHCTRVBSFFSPB-VQIMIIECSA-N 2 2 297.446 3.295 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902962990 621506981 /nfs/dbraw/zinc/50/69/81/621506981.db2.gz BZSVJKKYAQIXJO-MPGHIAIKSA-N 2 2 299.418 3.074 20 0 CGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903013969 621534237 /nfs/dbraw/zinc/53/42/37/621534237.db2.gz KURBYWSSQPDJBS-BMGDILEWSA-N 2 2 299.418 3.481 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000903103583 621575996 /nfs/dbraw/zinc/57/59/96/621575996.db2.gz KIQUIMHLKZCABB-OWSLCNJRSA-N 2 2 295.430 3.482 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903331304 621705543 /nfs/dbraw/zinc/70/55/43/621705543.db2.gz MDTSRZRNEXMIQM-ZIAGYGMSSA-N 2 2 287.407 3.336 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792786 621804974 /nfs/dbraw/zinc/80/49/74/621804974.db2.gz JDFWCMQLDKUYFC-UHFFFAOYSA-N 2 2 282.378 3.024 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000903821700 621815889 /nfs/dbraw/zinc/81/58/89/621815889.db2.gz QAYQDNJUXRWLDS-RTBURBONSA-N 2 2 296.414 3.188 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC000903846702 621820446 /nfs/dbraw/zinc/82/04/46/621820446.db2.gz QCBDQRNBNHOGTC-XDTLVQLUSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC000903846702 621820448 /nfs/dbraw/zinc/82/04/48/621820448.db2.gz QCBDQRNBNHOGTC-XDTLVQLUSA-N 2 2 285.218 3.305 20 0 CGADLP CC[N@H+](CCc1nccs1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904325302 621907656 /nfs/dbraw/zinc/90/76/56/621907656.db2.gz VJQXUNNHDYJMMV-ZDUSSCGKSA-N 2 2 283.485 3.161 20 0 CGADLP CC[N@@H+](CCc1nccs1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904325302 621907659 /nfs/dbraw/zinc/90/76/59/621907659.db2.gz VJQXUNNHDYJMMV-ZDUSSCGKSA-N 2 2 283.485 3.161 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1c(C)noc1C ZINC000904360854 621911959 /nfs/dbraw/zinc/91/19/59/621911959.db2.gz QLKDXPYGFXCZOV-KGLIPLIRSA-N 2 2 281.444 3.486 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1csc2ccccc12 ZINC000904482425 621926671 /nfs/dbraw/zinc/92/66/71/621926671.db2.gz CXNUYTFFDBXPAT-FZWSLVFFSA-N 2 2 272.417 3.304 20 0 CGADLP CN(C)c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC000904850689 622008411 /nfs/dbraw/zinc/00/84/11/622008411.db2.gz XCZVDNDQDBCFHC-INIZCTEOSA-N 2 2 267.376 3.239 20 0 CGADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906588906 622250730 /nfs/dbraw/zinc/25/07/30/622250730.db2.gz IKGWBZTYMHKRTE-DLBZAZTESA-N 2 2 290.426 3.488 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906595936 622256578 /nfs/dbraw/zinc/25/65/78/622256578.db2.gz KHJXUBQBFIIMFY-DLBZAZTESA-N 2 2 288.410 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000156342847 622812813 /nfs/dbraw/zinc/81/28/13/622812813.db2.gz YBQFMMKPVLAUGI-AVGNSLFASA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000156342847 622812814 /nfs/dbraw/zinc/81/28/14/622812814.db2.gz YBQFMMKPVLAUGI-AVGNSLFASA-N 2 2 289.448 3.430 20 0 CGADLP Cc1cn(Cc2c[nH+]c(N(C)C)c3ccccc23)c(C)[nH+]1 ZINC000917360040 624262828 /nfs/dbraw/zinc/26/28/28/624262828.db2.gz YANZIGHICUSKIR-UHFFFAOYSA-N 2 2 280.375 3.162 20 0 CGADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000761046539 627010807 /nfs/dbraw/zinc/01/08/07/627010807.db2.gz BEVWAVRLQRGLNT-CYBMUJFWSA-N 2 2 295.308 3.257 20 0 CGADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000761046539 627010810 /nfs/dbraw/zinc/01/08/10/627010810.db2.gz BEVWAVRLQRGLNT-CYBMUJFWSA-N 2 2 295.308 3.257 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766271227 627309649 /nfs/dbraw/zinc/30/96/49/627309649.db2.gz SPWMPDWFZBQZNR-LSDHHAIUSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766271227 627309653 /nfs/dbraw/zinc/30/96/53/627309653.db2.gz SPWMPDWFZBQZNR-LSDHHAIUSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000771388929 627705923 /nfs/dbraw/zinc/70/59/23/627705923.db2.gz PVXGEYWXTUVFAN-HOCLYGCPSA-N 2 2 285.391 3.092 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000772954103 627834400 /nfs/dbraw/zinc/83/44/00/627834400.db2.gz VZUSXSZEXJLDSB-GFCCVEGCSA-N 2 2 293.455 3.459 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CCC3)cc2)CC1 ZINC000776807705 628233397 /nfs/dbraw/zinc/23/33/97/628233397.db2.gz XLGACOSJUDPBBB-HNNXBMFYSA-N 2 2 287.451 3.429 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000779064259 628385832 /nfs/dbraw/zinc/38/58/32/628385832.db2.gz HXBCZVMGPUOFQN-ZJIFWQFVSA-N 2 2 273.424 3.146 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780531766 628495709 /nfs/dbraw/zinc/49/57/09/628495709.db2.gz YNCAIOFYLOELLV-QRQLOZEOSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780531766 628495711 /nfs/dbraw/zinc/49/57/11/628495711.db2.gz YNCAIOFYLOELLV-QRQLOZEOSA-N 2 2 286.463 3.472 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)Cc1ccccc1 ZINC000783221015 628689135 /nfs/dbraw/zinc/68/91/35/628689135.db2.gz DUAZNNZRBVMYEI-RYQLBKOJSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000863542582 629602532 /nfs/dbraw/zinc/60/25/32/629602532.db2.gz XZRSMGSKGPGHRN-SWLSCSKDSA-N 2 2 262.372 3.069 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000863651266 629632323 /nfs/dbraw/zinc/63/23/23/629632323.db2.gz FURQKWHEDYIHLV-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000863651266 629632333 /nfs/dbraw/zinc/63/23/33/629632333.db2.gz FURQKWHEDYIHLV-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865418797 630113547 /nfs/dbraw/zinc/11/35/47/630113547.db2.gz JZASGTZTRYVYPA-UHFFFAOYSA-N 2 2 299.821 3.227 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000799719184 630223993 /nfs/dbraw/zinc/22/39/93/630223993.db2.gz VGWHKWYJBKDWPO-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000799719184 630223996 /nfs/dbraw/zinc/22/39/96/630223996.db2.gz VGWHKWYJBKDWPO-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800968157 630314190 /nfs/dbraw/zinc/31/41/90/630314190.db2.gz GVAPSQJFADMEKF-LJISPDSOSA-N 2 2 261.413 3.076 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800968309 630314403 /nfs/dbraw/zinc/31/44/03/630314403.db2.gz JNNDSPSRSIVPOM-PMPSAXMXSA-N 2 2 275.440 3.466 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767526 630802442 /nfs/dbraw/zinc/80/24/42/630802442.db2.gz NIHHOPBWSYAEES-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767526 630802445 /nfs/dbraw/zinc/80/24/45/630802445.db2.gz NIHHOPBWSYAEES-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767526 630802449 /nfs/dbraw/zinc/80/24/49/630802449.db2.gz NIHHOPBWSYAEES-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767526 630802451 /nfs/dbraw/zinc/80/24/51/630802451.db2.gz NIHHOPBWSYAEES-PKOBYXMFSA-N 2 2 295.430 3.151 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627496 631809009 /nfs/dbraw/zinc/80/90/09/631809009.db2.gz BYZYGDQVNWKJIU-WCQYABFASA-N 2 2 273.355 3.065 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817887989 632229225 /nfs/dbraw/zinc/22/92/25/632229225.db2.gz IAOLGJFKLYHUKK-ZDUSSCGKSA-N 2 2 285.391 3.132 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1Cl ZINC000817938723 632238783 /nfs/dbraw/zinc/23/87/83/632238783.db2.gz QWPWQOLDTMXEHE-LLVKDONJSA-N 2 2 267.804 3.047 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866242103 633041377 /nfs/dbraw/zinc/04/13/77/633041377.db2.gz KQTYBPZHNSDYCZ-QAPCUYQASA-N 2 2 297.446 3.240 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866242103 633041381 /nfs/dbraw/zinc/04/13/81/633041381.db2.gz KQTYBPZHNSDYCZ-QAPCUYQASA-N 2 2 297.446 3.240 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866342990 633090124 /nfs/dbraw/zinc/09/01/24/633090124.db2.gz JBHVHRRHZBCZQI-LRDDRELGSA-N 2 2 285.366 3.004 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000866386444 633115903 /nfs/dbraw/zinc/11/59/03/633115903.db2.gz AOWOWUUGGUXDML-NXHRZFHOSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000866386444 633115906 /nfs/dbraw/zinc/11/59/06/633115906.db2.gz AOWOWUUGGUXDML-NXHRZFHOSA-N 2 2 287.451 3.009 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCC1 ZINC000830048607 633821349 /nfs/dbraw/zinc/82/13/49/633821349.db2.gz QVUSVYDYLAJZOQ-DLBZAZTESA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CCC1 ZINC000830048607 633821352 /nfs/dbraw/zinc/82/13/52/633821352.db2.gz QVUSVYDYLAJZOQ-DLBZAZTESA-N 2 2 296.499 3.026 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872020675 633940771 /nfs/dbraw/zinc/94/07/71/633940771.db2.gz JAYRDPSUYZTWJC-MAUKXSAKSA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1 ZINC000872023272 633943234 /nfs/dbraw/zinc/94/32/34/633943234.db2.gz DTBPLCAEIFAHOC-LBPRGKRZSA-N 2 2 277.334 3.374 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000872035664 633954374 /nfs/dbraw/zinc/95/43/74/633954374.db2.gz XYNQYEIMCDRLFZ-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000872035664 633954384 /nfs/dbraw/zinc/95/43/84/633954384.db2.gz XYNQYEIMCDRLFZ-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(O)c1F ZINC000872061672 633983678 /nfs/dbraw/zinc/98/36/78/633983678.db2.gz FUHIZXQGGXXLOQ-UONOGXRCSA-N 2 2 294.414 3.446 20 0 CGADLP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000872084657 634009231 /nfs/dbraw/zinc/00/92/31/634009231.db2.gz JVVGDPFOMVKWRR-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCO2 ZINC000872084657 634009236 /nfs/dbraw/zinc/00/92/36/634009236.db2.gz JVVGDPFOMVKWRR-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000872141711 634064487 /nfs/dbraw/zinc/06/44/87/634064487.db2.gz PHNNEZQYSQLMNZ-GFCCVEGCSA-N 2 2 278.318 3.104 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000872141711 634064489 /nfs/dbraw/zinc/06/44/89/634064489.db2.gz PHNNEZQYSQLMNZ-GFCCVEGCSA-N 2 2 278.318 3.104 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000873029509 634233982 /nfs/dbraw/zinc/23/39/82/634233982.db2.gz JDUXFDXHJPXHSQ-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000873029509 634233986 /nfs/dbraw/zinc/23/39/86/634233986.db2.gz JDUXFDXHJPXHSQ-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230197 634293561 /nfs/dbraw/zinc/29/35/61/634293561.db2.gz NHSCEZFBPVNUET-HIFRSBDPSA-N 2 2 298.402 3.376 20 0 CGADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1Cl ZINC000873232097 634294540 /nfs/dbraw/zinc/29/45/40/634294540.db2.gz VOXTYUWBFYFREZ-LSDHHAIUSA-N 2 2 264.800 3.023 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1F ZINC000019913172 634376554 /nfs/dbraw/zinc/37/65/54/634376554.db2.gz DTLSVIDSZGKKBU-CQSZACIVSA-N 2 2 264.388 3.180 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1F ZINC000019913172 634376558 /nfs/dbraw/zinc/37/65/58/634376558.db2.gz DTLSVIDSZGKKBU-CQSZACIVSA-N 2 2 264.388 3.180 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(F)F ZINC000840967271 635095069 /nfs/dbraw/zinc/09/50/69/635095069.db2.gz YTRBVNVKAORHSX-FZMZJTMJSA-N 2 2 277.318 3.006 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841085621 635119913 /nfs/dbraw/zinc/11/99/13/635119913.db2.gz JADWWBWARVOBDO-LBPRGKRZSA-N 2 2 286.391 3.231 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738131 635170834 /nfs/dbraw/zinc/17/08/34/635170834.db2.gz ABCLAFLHELYEST-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738131 635170841 /nfs/dbraw/zinc/17/08/41/635170841.db2.gz ABCLAFLHELYEST-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738131 635170849 /nfs/dbraw/zinc/17/08/49/635170849.db2.gz ABCLAFLHELYEST-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738131 635170857 /nfs/dbraw/zinc/17/08/57/635170857.db2.gz ABCLAFLHELYEST-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP CC1(C)C[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000878172777 635393178 /nfs/dbraw/zinc/39/31/78/635393178.db2.gz MDOGAUFIKJPYIX-AWEZNQCLSA-N 2 2 291.439 3.183 20 0 CGADLP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000878491200 635531075 /nfs/dbraw/zinc/53/10/75/635531075.db2.gz HLBCWKFBGGJZFX-ZFTGLFDFSA-N 2 2 285.435 3.014 20 0 CGADLP C=C/C=C\CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000878491200 635531088 /nfs/dbraw/zinc/53/10/88/635531088.db2.gz HLBCWKFBGGJZFX-ZFTGLFDFSA-N 2 2 285.435 3.014 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000843045183 635549496 /nfs/dbraw/zinc/54/94/96/635549496.db2.gz ONMMHVCVKSFALU-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000843045183 635549498 /nfs/dbraw/zinc/54/94/98/635549498.db2.gz ONMMHVCVKSFALU-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C\c1ccccc1 ZINC000880142578 635923838 /nfs/dbraw/zinc/92/38/38/635923838.db2.gz QNTGJSKJYMQBCR-DNMUNIMJSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C\c1ccccc1 ZINC000880142578 635923842 /nfs/dbraw/zinc/92/38/42/635923842.db2.gz QNTGJSKJYMQBCR-DNMUNIMJSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC/C=C\c1ccccc1 ZINC000880142578 635923844 /nfs/dbraw/zinc/92/38/44/635923844.db2.gz QNTGJSKJYMQBCR-DNMUNIMJSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC/C=C\c1ccccc1 ZINC000880142578 635923847 /nfs/dbraw/zinc/92/38/47/635923847.db2.gz QNTGJSKJYMQBCR-DNMUNIMJSA-N 2 2 270.420 3.258 20 0 CGADLP CSc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880470439 636006446 /nfs/dbraw/zinc/00/64/46/636006446.db2.gz IRQBEZPPWYOOGA-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472572 636006984 /nfs/dbraw/zinc/00/69/84/636006984.db2.gz UAPDVYIWURAAOL-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP CC(C)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570981 636023607 /nfs/dbraw/zinc/02/36/07/636023607.db2.gz LVOICHNMYPKGQG-MRXNPFEDSA-N 2 2 257.381 3.260 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829985 636253305 /nfs/dbraw/zinc/25/33/05/636253305.db2.gz VHQDBAUILDWIBE-FZMZJTMJSA-N 2 2 299.821 3.036 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829985 636253310 /nfs/dbraw/zinc/25/33/10/636253310.db2.gz VHQDBAUILDWIBE-FZMZJTMJSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829985 636253313 /nfs/dbraw/zinc/25/33/13/636253313.db2.gz VHQDBAUILDWIBE-FZMZJTMJSA-N 2 2 299.821 3.036 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(F)c2)[C@@H](C)C1 ZINC000846829985 636253317 /nfs/dbraw/zinc/25/33/17/636253317.db2.gz VHQDBAUILDWIBE-FZMZJTMJSA-N 2 2 299.821 3.036 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1sccc1Cl ZINC000883164429 636560922 /nfs/dbraw/zinc/56/09/22/636560922.db2.gz FHBKXFMLZWDDBO-LLVKDONJSA-N 2 2 260.834 3.394 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848928286 636700610 /nfs/dbraw/zinc/70/06/10/636700610.db2.gz YAUHQMCQGRJXDK-QZTJIDSGSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848928286 636700626 /nfs/dbraw/zinc/70/06/26/636700626.db2.gz YAUHQMCQGRJXDK-QZTJIDSGSA-N 2 2 272.436 3.144 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883386986 636729262 /nfs/dbraw/zinc/72/92/62/636729262.db2.gz PSZLECHXMIWYJV-CRAIPNDOSA-N 2 2 299.418 3.029 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C=CCC2)C[N@@H+]1Cc1ccccc1 ZINC000850359110 637028432 /nfs/dbraw/zinc/02/84/32/637028432.db2.gz WQMJWPGFGSFRPO-IAGOWNOFSA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C=CCC2)C[N@H+]1Cc1ccccc1 ZINC000850359110 637028436 /nfs/dbraw/zinc/02/84/36/637028436.db2.gz WQMJWPGFGSFRPO-IAGOWNOFSA-N 2 2 270.420 3.348 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438379 637064031 /nfs/dbraw/zinc/06/40/31/637064031.db2.gz FGXWXBGGRRKJAH-CABCVRRESA-N 2 2 288.435 3.004 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438379 637064036 /nfs/dbraw/zinc/06/40/36/637064036.db2.gz FGXWXBGGRRKJAH-CABCVRRESA-N 2 2 288.435 3.004 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000135920030 637227272 /nfs/dbraw/zinc/22/72/72/637227272.db2.gz KGPCVIRYCFHTKJ-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000135920030 637227273 /nfs/dbraw/zinc/22/72/73/637227273.db2.gz KGPCVIRYCFHTKJ-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885977284 637339944 /nfs/dbraw/zinc/33/99/44/637339944.db2.gz GUXHAZMAQWGLAD-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885977284 637339948 /nfs/dbraw/zinc/33/99/48/637339948.db2.gz GUXHAZMAQWGLAD-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885977282 637340510 /nfs/dbraw/zinc/34/05/10/637340510.db2.gz GUXHAZMAQWGLAD-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885977282 637340519 /nfs/dbraw/zinc/34/05/19/637340519.db2.gz GUXHAZMAQWGLAD-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(Cl)CC1 ZINC000924885548 638420069 /nfs/dbraw/zinc/42/00/69/638420069.db2.gz GJFWNIROVCEZCC-NEPJUHHUSA-N 2 2 295.858 3.245 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010882 638437056 /nfs/dbraw/zinc/43/70/56/638437056.db2.gz ONRIVMZFPIQOKC-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010882 638437063 /nfs/dbraw/zinc/43/70/63/638437063.db2.gz ONRIVMZFPIQOKC-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccnn1C1CCC1 ZINC000925172522 638468590 /nfs/dbraw/zinc/46/85/90/638468590.db2.gz SXJSYTXKFYXRMP-KGLIPLIRSA-N 2 2 299.422 3.033 20 0 CGADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)s1 ZINC000925489125 638509807 /nfs/dbraw/zinc/50/98/07/638509807.db2.gz NZHLVJUMNZPVKO-DRZUPDRUSA-N 2 2 296.867 3.439 20 0 CGADLP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)on1 ZINC000925498246 638512053 /nfs/dbraw/zinc/51/20/53/638512053.db2.gz DHGFTXWOVBYEEY-HOTGVXAUSA-N 2 2 291.439 3.056 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925576714 638536098 /nfs/dbraw/zinc/53/60/98/638536098.db2.gz YILHVPFYEMDAGS-LTDCPUDJSA-N 2 2 298.430 3.177 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925719054 638579165 /nfs/dbraw/zinc/57/91/65/638579165.db2.gz QHVFSDRGPHEQKX-RISCZKNCSA-N 2 2 293.361 3.267 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cc2ccccc2s1 ZINC000925782292 638612648 /nfs/dbraw/zinc/61/26/48/638612648.db2.gz FDNWPBCFGSQJKM-NQBHXWOUSA-N 2 2 260.406 3.160 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230089 638748215 /nfs/dbraw/zinc/74/82/15/638748215.db2.gz QWODNWHGPMIREE-IIAWOOMASA-N 2 2 273.424 3.313 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276388 638758093 /nfs/dbraw/zinc/75/80/93/638758093.db2.gz WYFDFKWVDKEGAB-GFCCVEGCSA-N 2 2 279.428 3.064 20 0 CGADLP Cc1cscc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926305394 638761410 /nfs/dbraw/zinc/76/14/10/638761410.db2.gz ZVPCQAVPYBMSCW-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cscc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926305394 638761412 /nfs/dbraw/zinc/76/14/12/638761412.db2.gz ZVPCQAVPYBMSCW-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC12CCSCC2 ZINC000926602817 638790715 /nfs/dbraw/zinc/79/07/15/638790715.db2.gz XVBMAACPPDCHDC-HRCADAONSA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC12CCSCC2 ZINC000926602817 638790717 /nfs/dbraw/zinc/79/07/17/638790717.db2.gz XVBMAACPPDCHDC-HRCADAONSA-N 2 2 294.508 3.126 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C(C)(C)O1 ZINC000927099388 638841915 /nfs/dbraw/zinc/84/19/15/638841915.db2.gz NGCYFMFZNPWEBZ-OWCLPIDISA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C(C)(C)O1 ZINC000927099388 638841917 /nfs/dbraw/zinc/84/19/17/638841917.db2.gz NGCYFMFZNPWEBZ-OWCLPIDISA-N 2 2 294.483 3.187 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCc3ccccc3C2(C)C)c(C)[nH+]1 ZINC000930183847 638980547 /nfs/dbraw/zinc/98/05/47/638980547.db2.gz YBSFZIYIURPFTP-UHFFFAOYSA-N 2 2 269.392 3.320 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCc3ccccc3C2(C)C)c(C)[nH+]1 ZINC000930183847 638980548 /nfs/dbraw/zinc/98/05/48/638980548.db2.gz YBSFZIYIURPFTP-UHFFFAOYSA-N 2 2 269.392 3.320 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]2COc2ccccc2)c(C)[nH+]1 ZINC000930611808 639038504 /nfs/dbraw/zinc/03/85/04/639038504.db2.gz ZHQUDAVJHSYZQR-HNNXBMFYSA-N 2 2 285.391 3.070 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2COc2ccccc2)c(C)[nH+]1 ZINC000930611808 639038507 /nfs/dbraw/zinc/03/85/07/639038507.db2.gz ZHQUDAVJHSYZQR-HNNXBMFYSA-N 2 2 285.391 3.070 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515708 639163842 /nfs/dbraw/zinc/16/38/42/639163842.db2.gz BCSLAZYOIZXLNE-UHFFFAOYSA-N 2 2 299.443 3.334 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515708 639163844 /nfs/dbraw/zinc/16/38/44/639163844.db2.gz BCSLAZYOIZXLNE-UHFFFAOYSA-N 2 2 299.443 3.334 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622013 639182020 /nfs/dbraw/zinc/18/20/20/639182020.db2.gz NFPHGCLXLKICRY-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622013 639182021 /nfs/dbraw/zinc/18/20/21/639182021.db2.gz NFPHGCLXLKICRY-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC2(CC2)CC1 ZINC000931622013 639182025 /nfs/dbraw/zinc/18/20/25/639182025.db2.gz NFPHGCLXLKICRY-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC2(CC2)CC1 ZINC000931622013 639182026 /nfs/dbraw/zinc/18/20/26/639182026.db2.gz NFPHGCLXLKICRY-CVEARBPZSA-N 2 2 262.441 3.125 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000251492679 640826928 /nfs/dbraw/zinc/82/69/28/640826928.db2.gz IYQBQOGECHHNQA-LVQVYYBASA-N 2 2 261.413 3.220 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415145715 640859890 /nfs/dbraw/zinc/85/98/90/640859890.db2.gz XHXBJFARVUDJRE-KRWDZBQOSA-N 2 2 270.376 3.069 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415145715 640859893 /nfs/dbraw/zinc/85/98/93/640859893.db2.gz XHXBJFARVUDJRE-KRWDZBQOSA-N 2 2 270.376 3.069 20 0 CGADLP CN(CC1CC[NH+](C)CC1)c1cc2ccccc2c[nH+]1 ZINC000631098549 721931591 /nfs/dbraw/zinc/93/15/91/721931591.db2.gz BMJLZAAFFRRAGU-UHFFFAOYSA-N 2 2 269.392 3.013 20 0 CGADLP CCCc1cc(N[C@H]2C[NH2+]Cc3ccsc32)nc(C)[nH+]1 ZINC001155561239 805592172 /nfs/dbraw/zinc/59/21/72/805592172.db2.gz LCKBSYJBICRAPY-ZDUSSCGKSA-N 2 2 288.420 3.055 20 0 CGADLP Cc1cc(Cl)c(C)c(NCc2ccc(N)[nH+]c2C)[nH+]1 ZINC001156980731 805762950 /nfs/dbraw/zinc/76/29/50/805762950.db2.gz OBKBFQYYKAEBIB-UHFFFAOYSA-N 2 2 276.771 3.250 20 0 CGADLP CC[C@@H](C)C[C@@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157882351 805896058 /nfs/dbraw/zinc/89/60/58/805896058.db2.gz RUZUXDDILAFRQF-HUUCEWRRSA-N 2 2 290.455 3.070 20 0 CGADLP Cc1cccc2c(C)cc(N3CCC[C@@](C)(C[NH3+])C3)[nH+]c12 ZINC001158676241 805984486 /nfs/dbraw/zinc/98/44/86/805984486.db2.gz ZGHNXILZBNVPNZ-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP COc1cc[nH+]cc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159757199 806166550 /nfs/dbraw/zinc/16/65/50/806166550.db2.gz MGGJFNBGMBJROF-UHFFFAOYSA-N 2 2 283.375 3.301 20 0 CGADLP FC1(F)CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001254225445 806372498 /nfs/dbraw/zinc/37/24/98/806372498.db2.gz UTSSKAATEFAPQF-NSHDSACASA-N 2 2 269.339 3.101 20 0 CGADLP CC(C)Oc1cc[nH+]c(NCc2c[nH+]cn2C(C)C)c1 ZINC001161564908 806393575 /nfs/dbraw/zinc/39/35/75/806393575.db2.gz GLWRKWKFLCUKMR-UHFFFAOYSA-N 2 2 274.368 3.258 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001254506654 806428422 /nfs/dbraw/zinc/42/84/22/806428422.db2.gz WIZASPLQKSTSJE-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001254506654 806428428 /nfs/dbraw/zinc/42/84/28/806428428.db2.gz WIZASPLQKSTSJE-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP Cc1[nH+]c(C(C)(C)C)nc(NCCCC[NH+](C)C)c1C ZINC001161728755 806438899 /nfs/dbraw/zinc/43/88/99/806438899.db2.gz TXFAPROJRADRFT-UHFFFAOYSA-N 2 2 278.444 3.145 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)c2ccccc21 ZINC001254840328 806494563 /nfs/dbraw/zinc/49/45/63/806494563.db2.gz GTHMOKHVSGCGSB-QIIPPGSGSA-N 2 2 270.420 3.309 20 0 CGADLP COc1cccc(C(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254842974 806496228 /nfs/dbraw/zinc/49/62/28/806496228.db2.gz DALOMLSGSOPAFM-MRXNPFEDSA-N 2 2 288.435 3.004 20 0 CGADLP CC(C)(Cc1ccccc1F)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847168 806496990 /nfs/dbraw/zinc/49/69/90/806496990.db2.gz DVWDHZGHLASUTJ-INIZCTEOSA-N 2 2 290.426 3.221 20 0 CGADLP Cc1ccccc1CC(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254846004 806497230 /nfs/dbraw/zinc/49/72/30/806497230.db2.gz TYOQBCMNXKBACI-SFHVURJKSA-N 2 2 286.463 3.390 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861305 806500026 /nfs/dbraw/zinc/50/00/26/806500026.db2.gz FZMOPICLARLQEF-QZTJIDSGSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861305 806500034 /nfs/dbraw/zinc/50/00/34/806500034.db2.gz FZMOPICLARLQEF-QZTJIDSGSA-N 2 2 288.410 3.447 20 0 CGADLP C1CC2(C[N@@H+]1[C@@H]1CC3CC[NH+](CC3)C1)CCCCC2 ZINC001254866226 806501838 /nfs/dbraw/zinc/50/18/38/806501838.db2.gz NPLRYZOTHCLUOQ-MRXNPFEDSA-N 2 2 262.441 3.127 20 0 CGADLP C1CC2(C[N@H+]1[C@@H]1CC3CC[NH+](CC3)C1)CCCCC2 ZINC001254866226 806501846 /nfs/dbraw/zinc/50/18/46/806501846.db2.gz NPLRYZOTHCLUOQ-MRXNPFEDSA-N 2 2 262.441 3.127 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841038 806496188 /nfs/dbraw/zinc/49/61/88/806496188.db2.gz REUXHEOYFGMTHC-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@]2(C)CCC[N@H+](C)C2)c1 ZINC001162341402 806558065 /nfs/dbraw/zinc/55/80/65/806558065.db2.gz MEHKXWUEWLQPKC-QGZVFWFLSA-N 2 2 285.391 3.140 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162341402 806558071 /nfs/dbraw/zinc/55/80/71/806558071.db2.gz MEHKXWUEWLQPKC-QGZVFWFLSA-N 2 2 285.391 3.140 20 0 CGADLP Cc1nc(NC[C@]2(CC3CC3)CCC[NH2+]2)cc(C(C)C)[nH+]1 ZINC001162350207 806561234 /nfs/dbraw/zinc/56/12/34/806561234.db2.gz ZYTIONXSRCQNHA-QGZVFWFLSA-N 2 2 288.439 3.243 20 0 CGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2ccn3cc[nH+]c3c2)c1 ZINC001162910449 806684115 /nfs/dbraw/zinc/68/41/15/806684115.db2.gz UDDTUGZACPBZIY-LBPRGKRZSA-N 2 2 276.343 3.298 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)CC(F)(F)F)C1 ZINC001255665362 806700528 /nfs/dbraw/zinc/70/05/28/806700528.db2.gz XJVYGIQPADDPOW-NWDGAFQWSA-N 2 2 288.313 3.184 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)CC(F)(F)F)C1 ZINC001255665362 806700530 /nfs/dbraw/zinc/70/05/30/806700530.db2.gz XJVYGIQPADDPOW-NWDGAFQWSA-N 2 2 288.313 3.184 20 0 CGADLP CC(C)Oc1cc[nH+]c(NCc2ccc3[nH+]ccn3c2)c1 ZINC001163139530 806706024 /nfs/dbraw/zinc/70/60/24/806706024.db2.gz PITJLTALNUSMEY-UHFFFAOYSA-N 2 2 282.347 3.129 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722591 806720028 /nfs/dbraw/zinc/72/00/28/806720028.db2.gz LCQKWUMIKNJASN-AAVRWANBSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722591 806720034 /nfs/dbraw/zinc/72/00/34/806720034.db2.gz LCQKWUMIKNJASN-AAVRWANBSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722591 806720040 /nfs/dbraw/zinc/72/00/40/806720040.db2.gz LCQKWUMIKNJASN-AAVRWANBSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@H]21 ZINC001255722591 806720042 /nfs/dbraw/zinc/72/00/42/806720042.db2.gz LCQKWUMIKNJASN-AAVRWANBSA-N 2 2 290.373 3.134 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795732 799386698 /nfs/dbraw/zinc/38/66/98/799386698.db2.gz SXAQUAJLUWEIRK-YGRLFVJLSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795732 799386704 /nfs/dbraw/zinc/38/67/04/799386704.db2.gz SXAQUAJLUWEIRK-YGRLFVJLSA-N 2 2 277.799 3.133 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000385930094 799430453 /nfs/dbraw/zinc/43/04/53/799430453.db2.gz KPBDNUKSXDYBDJ-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000385930094 799430456 /nfs/dbraw/zinc/43/04/56/799430456.db2.gz KPBDNUKSXDYBDJ-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001255783826 806749458 /nfs/dbraw/zinc/74/94/58/806749458.db2.gz JBSQXIAJBODTNY-UZLBHIALSA-N 2 2 294.442 3.312 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001255783826 806749462 /nfs/dbraw/zinc/74/94/62/806749462.db2.gz JBSQXIAJBODTNY-UZLBHIALSA-N 2 2 294.442 3.312 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390541147 799471724 /nfs/dbraw/zinc/47/17/24/799471724.db2.gz RCTVEHUDWBHLGT-WMZOPIPTSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390541147 799471726 /nfs/dbraw/zinc/47/17/26/799471726.db2.gz RCTVEHUDWBHLGT-WMZOPIPTSA-N 2 2 298.430 3.465 20 0 CGADLP CC[N@H+]([C@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001255851109 806766839 /nfs/dbraw/zinc/76/68/39/806766839.db2.gz LJKPBBQMBMIODT-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001255851109 806766840 /nfs/dbraw/zinc/76/68/40/806766840.db2.gz LJKPBBQMBMIODT-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255836180 806762090 /nfs/dbraw/zinc/76/20/90/806762090.db2.gz MTRDCJMHXRJLMS-CVEARBPZSA-N 2 2 292.442 3.467 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)c1 ZINC001255888361 806785093 /nfs/dbraw/zinc/78/50/93/806785093.db2.gz GVHNMLRKJGNFAT-ROUUACIJSA-N 2 2 299.462 3.168 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC001255950237 806793951 /nfs/dbraw/zinc/79/39/51/806793951.db2.gz FWZCLIWWRIUJNJ-ZDUSSCGKSA-N 2 2 282.403 3.044 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ncccc1C ZINC001256067638 806809500 /nfs/dbraw/zinc/80/95/00/806809500.db2.gz WSMAEMFHRRFIOY-INIZCTEOSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721630424 800298405 /nfs/dbraw/zinc/29/84/05/800298405.db2.gz FUVHCYNNDAQATE-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105038 806820930 /nfs/dbraw/zinc/82/09/30/806820930.db2.gz ARIRYENFDWLRES-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105038 806820941 /nfs/dbraw/zinc/82/09/41/806820941.db2.gz ARIRYENFDWLRES-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c(C)[nH+]1 ZINC000724775220 800366548 /nfs/dbraw/zinc/36/65/48/800366548.db2.gz GWXZVDOUUFWXCC-VIFPVBQESA-N 2 2 271.355 3.330 20 0 CGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccn2cc[nH+]c2c1 ZINC001163898241 806848579 /nfs/dbraw/zinc/84/85/79/806848579.db2.gz OOHROUIPHUYCSJ-UHFFFAOYSA-N 2 2 296.761 3.390 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(CF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519923 806909633 /nfs/dbraw/zinc/90/96/33/806909633.db2.gz HEQYXVXKFMGECZ-ZBFHGGJFSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519923 806909636 /nfs/dbraw/zinc/90/96/36/806909636.db2.gz HEQYXVXKFMGECZ-ZBFHGGJFSA-N 2 2 276.399 3.131 20 0 CGADLP F[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256607441 806923433 /nfs/dbraw/zinc/92/34/33/806923433.db2.gz MWOHWDMQRXBXKD-INIZCTEOSA-N 2 2 276.399 3.085 20 0 CGADLP F[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256607441 806923434 /nfs/dbraw/zinc/92/34/34/806923434.db2.gz MWOHWDMQRXBXKD-INIZCTEOSA-N 2 2 276.399 3.085 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@H](C[NH3+])CC[C@H]3C)[nH+]c12 ZINC001164460479 806950212 /nfs/dbraw/zinc/95/02/12/806950212.db2.gz DLIUKYOGCOGFCM-CABCVRRESA-N 2 2 283.419 3.415 20 0 CGADLP Cc1cc([NH2+]CC(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC001116448712 802353695 /nfs/dbraw/zinc/35/36/95/802353695.db2.gz JGCIOSLMCXGQDO-UHFFFAOYSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1coc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001117109985 802433971 /nfs/dbraw/zinc/43/39/71/802433971.db2.gz AFGDLUBPNJBLEK-UHFFFAOYSA-N 2 2 296.330 3.038 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC001119670365 802690204 /nfs/dbraw/zinc/69/02/04/802690204.db2.gz JALHSZWHSWBQRY-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CCC1CCC(n2c(C)[nH+]c3c2CC[NH2+]CC3)CC1 ZINC001256871576 806996479 /nfs/dbraw/zinc/99/64/79/806996479.db2.gz ROVBIDSNNBJRTA-UHFFFAOYSA-N 2 2 261.413 3.021 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)nc1 ZINC001137742634 803765721 /nfs/dbraw/zinc/76/57/21/803765721.db2.gz BIQRKJBLMVGXQR-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)nc1 ZINC001137742634 803765728 /nfs/dbraw/zinc/76/57/28/803765728.db2.gz BIQRKJBLMVGXQR-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073889 804112271 /nfs/dbraw/zinc/11/22/71/804112271.db2.gz AQSQXAABEFRAAO-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP CCCCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087826 804121043 /nfs/dbraw/zinc/12/10/43/804121043.db2.gz QAWQGONNCAAUGF-QDIHITRGSA-N 2 2 270.436 3.415 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089029 804122231 /nfs/dbraw/zinc/12/22/31/804122231.db2.gz BAYGESYZIANMBN-GXTWGEPZSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(Cl)c1F ZINC001246109564 804141718 /nfs/dbraw/zinc/14/17/18/804141718.db2.gz YDHXWGINDKEARG-HBNTYKKESA-N 2 2 270.779 3.270 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151378 804170606 /nfs/dbraw/zinc/17/06/06/804170606.db2.gz YJVJXAISTRJMEN-GVDBMIGSSA-N 3 2 295.515 3.055 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC001246164170 804180977 /nfs/dbraw/zinc/18/09/77/804180977.db2.gz TZWFRHNHXZNMNN-IUODEOHRSA-N 2 2 282.378 3.139 20 0 CGADLP COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360448 804183234 /nfs/dbraw/zinc/18/32/34/804183234.db2.gz WRLRULGRUASGHM-KRWDZBQOSA-N 2 2 299.418 3.263 20 0 CGADLP COCC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360448 804183242 /nfs/dbraw/zinc/18/32/42/804183242.db2.gz WRLRULGRUASGHM-KRWDZBQOSA-N 2 2 299.418 3.263 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2Cl)CC[NH2+]1 ZINC001246177707 804192630 /nfs/dbraw/zinc/19/26/30/804192630.db2.gz DEMBXRUJKICBIC-DZGCQCFKSA-N 2 2 284.806 3.345 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCCC)CC[NH2+]1 ZINC001246185312 804196603 /nfs/dbraw/zinc/19/66/03/804196603.db2.gz UBZXTCNBCSBXMI-IRXDYDNUSA-N 3 2 283.504 3.009 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185312 804196608 /nfs/dbraw/zinc/19/66/08/804196608.db2.gz UBZXTCNBCSBXMI-IRXDYDNUSA-N 3 2 283.504 3.009 20 0 CGADLP Clc1ccc(SCC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246184835 804196886 /nfs/dbraw/zinc/19/68/86/804196886.db2.gz OMDPQZOQXVGIOT-ZDUSSCGKSA-N 2 2 284.856 3.164 20 0 CGADLP C[C@H]1CC([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)C1 ZINC001246196448 804204163 /nfs/dbraw/zinc/20/41/63/804204163.db2.gz XICLJPYYCOKOOH-GYSYKLTISA-N 2 2 292.389 3.331 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246226695 804221108 /nfs/dbraw/zinc/22/11/08/804221108.db2.gz TVDGLUSTPDFGTG-KBPBESRZSA-N 2 2 282.378 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c2ccccc12 ZINC001246257369 804240328 /nfs/dbraw/zinc/24/03/28/804240328.db2.gz SBQWSPURDUYLIU-HOCLYGCPSA-N 2 2 268.404 3.378 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246274530 804250982 /nfs/dbraw/zinc/25/09/82/804250982.db2.gz XCENPFFUUVOTDS-SNVBAGLBSA-N 2 2 275.223 3.124 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C2 ZINC001246278456 804255501 /nfs/dbraw/zinc/25/55/01/804255501.db2.gz HIJWDQAPJQNITQ-PKOBYXMFSA-N 2 2 280.415 3.142 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c(Cl)c1 ZINC001246282064 804257150 /nfs/dbraw/zinc/25/71/50/804257150.db2.gz AJSBTXSXFFRIPA-CJNGLKHVSA-N 2 2 296.842 3.215 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246292824 804261943 /nfs/dbraw/zinc/26/19/43/804261943.db2.gz TYODZEZBIFRNLT-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC001246317048 804277266 /nfs/dbraw/zinc/27/72/66/804277266.db2.gz KSJCFPJKNHOGRF-AAEUAGOBSA-N 2 2 252.789 3.051 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1C(F)F)C2 ZINC001139800241 804283879 /nfs/dbraw/zinc/28/38/79/804283879.db2.gz HDIJZLPFVZTCRO-CZUORRHYSA-N 2 2 280.362 3.008 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1C(F)F)C2 ZINC001139800241 804283885 /nfs/dbraw/zinc/28/38/85/804283885.db2.gz HDIJZLPFVZTCRO-CZUORRHYSA-N 2 2 280.362 3.008 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC001246397009 804321569 /nfs/dbraw/zinc/32/15/69/804321569.db2.gz ALMRJKCMRLVQIK-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410149 804324373 /nfs/dbraw/zinc/32/43/73/804324373.db2.gz XXFYNKAJTWCIAY-UKRRQHHQSA-N 2 2 294.389 3.431 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246468140 804346614 /nfs/dbraw/zinc/34/66/14/804346614.db2.gz HVLRPGCMIULIGL-ZBFHGGJFSA-N 2 2 264.388 3.317 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506738 804365177 /nfs/dbraw/zinc/36/51/77/804365177.db2.gz JKUVCSRRTPBRHR-HZSPNIEDSA-N 2 2 286.341 3.397 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC001246511754 804368233 /nfs/dbraw/zinc/36/82/33/804368233.db2.gz RJWINZQENGHELN-RPCCPQHDSA-N 2 2 276.424 3.109 20 0 CGADLP CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246523265 804379251 /nfs/dbraw/zinc/37/92/51/804379251.db2.gz FXJVNIPASFQVKW-CZUORRHYSA-N 2 2 292.423 3.031 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536531 804385369 /nfs/dbraw/zinc/38/53/69/804385369.db2.gz QGJCPSPGZWUHNZ-SZVBFZGTSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536531 804385378 /nfs/dbraw/zinc/38/53/78/804385378.db2.gz QGJCPSPGZWUHNZ-SZVBFZGTSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540195 804388868 /nfs/dbraw/zinc/38/88/68/804388868.db2.gz LRCNRDVRABBYCT-CJNGLKHVSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246540195 804388875 /nfs/dbraw/zinc/38/88/75/804388875.db2.gz LRCNRDVRABBYCT-CJNGLKHVSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546197 804396100 /nfs/dbraw/zinc/39/61/00/804396100.db2.gz ZTNVCOHFRAAFAO-IUODEOHRSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246546197 804396110 /nfs/dbraw/zinc/39/61/10/804396110.db2.gz ZTNVCOHFRAAFAO-IUODEOHRSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548418 804398456 /nfs/dbraw/zinc/39/84/56/804398456.db2.gz TYHPWFKEWCRBGM-SCRDCRAPSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548418 804398465 /nfs/dbraw/zinc/39/84/65/804398465.db2.gz TYHPWFKEWCRBGM-SCRDCRAPSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553596 804404350 /nfs/dbraw/zinc/40/43/50/804404350.db2.gz ZIZDGYHSLKEWIU-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553596 804404354 /nfs/dbraw/zinc/40/43/54/804404354.db2.gz ZIZDGYHSLKEWIU-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140377874 804425079 /nfs/dbraw/zinc/42/50/79/804425079.db2.gz WWPDAAJEXXPSCO-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140377874 804425084 /nfs/dbraw/zinc/42/50/84/804425084.db2.gz WWPDAAJEXXPSCO-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP CC1(C[NH3+])C[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246590339 804434278 /nfs/dbraw/zinc/43/42/78/804434278.db2.gz SNOMDMFDUWGEMW-GFCCVEGCSA-N 2 2 299.245 3.131 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610904 804444260 /nfs/dbraw/zinc/44/42/60/804444260.db2.gz CYMIQOHHDLOAAZ-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610904 804444265 /nfs/dbraw/zinc/44/42/65/804444265.db2.gz CYMIQOHHDLOAAZ-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620035 804454266 /nfs/dbraw/zinc/45/42/66/804454266.db2.gz PNIJDMQNPLUKEX-IKICRFKJSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620035 804454269 /nfs/dbraw/zinc/45/42/69/804454269.db2.gz PNIJDMQNPLUKEX-IKICRFKJSA-N 2 2 270.420 3.136 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)c(C)c2)C1 ZINC001140579782 804466733 /nfs/dbraw/zinc/46/67/33/804466733.db2.gz GCZPBQFYLTVGSK-MRXNPFEDSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2)C1 ZINC001140579782 804466735 /nfs/dbraw/zinc/46/67/35/804466735.db2.gz GCZPBQFYLTVGSK-MRXNPFEDSA-N 2 2 298.386 3.057 20 0 CGADLP C[C@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777929 804506422 /nfs/dbraw/zinc/50/64/22/804506422.db2.gz LHOYGYNSJQENAR-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777929 804506424 /nfs/dbraw/zinc/50/64/24/804506424.db2.gz LHOYGYNSJQENAR-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246810198 804527201 /nfs/dbraw/zinc/52/72/01/804527201.db2.gz ZORAFZDOBYLVFT-LESCRADOSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246810198 804527207 /nfs/dbraw/zinc/52/72/07/804527207.db2.gz ZORAFZDOBYLVFT-LESCRADOSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1c[nH]c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001140861941 804536747 /nfs/dbraw/zinc/53/67/47/804536747.db2.gz UWNTXHNUBHIHOR-UHFFFAOYSA-N 2 2 294.402 3.449 20 0 CGADLP Cc1c[nH]c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001140861941 804536752 /nfs/dbraw/zinc/53/67/52/804536752.db2.gz UWNTXHNUBHIHOR-UHFFFAOYSA-N 2 2 294.402 3.449 20 0 CGADLP c1ccc(C[C@H]2C[C@H]([N@@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836491 804544994 /nfs/dbraw/zinc/54/49/94/804544994.db2.gz XWOIOPMRWFWHJG-VLOYRQLPSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@H]2C[C@H]([N@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836491 804545001 /nfs/dbraw/zinc/54/50/01/804545001.db2.gz XWOIOPMRWFWHJG-VLOYRQLPSA-N 2 2 284.447 3.224 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246845183 804553263 /nfs/dbraw/zinc/55/32/63/804553263.db2.gz LIFWSPVHTRZSLU-WCXIOVBPSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246845183 804553269 /nfs/dbraw/zinc/55/32/69/804553269.db2.gz LIFWSPVHTRZSLU-WCXIOVBPSA-N 2 2 282.472 3.390 20 0 CGADLP C[C@H]1CC([N@@H+]2CCc3c(Cl)cccc3C2)C[C@H](C)[NH2+]1 ZINC001246845195 804554323 /nfs/dbraw/zinc/55/43/23/804554323.db2.gz DTGYNUNYAUEFRI-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@H]1CC([N@H+]2CCc3c(Cl)cccc3C2)C[C@H](C)[NH2+]1 ZINC001246845195 804554331 /nfs/dbraw/zinc/55/43/31/804554331.db2.gz DTGYNUNYAUEFRI-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246852332 804561256 /nfs/dbraw/zinc/56/12/56/804561256.db2.gz CSNMWVTXURBKTE-ZFWWWQNUSA-N 2 2 296.455 3.380 20 0 CGADLP CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246852332 804561260 /nfs/dbraw/zinc/56/12/60/804561260.db2.gz CSNMWVTXURBKTE-ZFWWWQNUSA-N 2 2 296.455 3.380 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864286 804567978 /nfs/dbraw/zinc/56/79/78/804567978.db2.gz SYNXLZCFNMXPBM-HOTGVXAUSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864286 804567981 /nfs/dbraw/zinc/56/79/81/804567981.db2.gz SYNXLZCFNMXPBM-HOTGVXAUSA-N 2 2 290.426 3.495 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[NH2+]1 ZINC001246905154 804590623 /nfs/dbraw/zinc/59/06/23/804590623.db2.gz LGEORZVJDWMKHB-SSHXOBKSSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246906787 804591237 /nfs/dbraw/zinc/59/12/37/804591237.db2.gz HLMFZRSAAQPDLC-YNEHKIRRSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246906787 804591241 /nfs/dbraw/zinc/59/12/41/804591241.db2.gz HLMFZRSAAQPDLC-YNEHKIRRSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246912874 804597693 /nfs/dbraw/zinc/59/76/93/804597693.db2.gz QEUJQVPXSFTMQK-BBRMVZONSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246912874 804597697 /nfs/dbraw/zinc/59/76/97/804597697.db2.gz QEUJQVPXSFTMQK-BBRMVZONSA-N 2 2 296.455 3.380 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001246940571 804609862 /nfs/dbraw/zinc/60/98/62/804609862.db2.gz WZGKFBVFBIQEQP-OFQRWUPVSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001246940571 804609866 /nfs/dbraw/zinc/60/98/66/804609866.db2.gz WZGKFBVFBIQEQP-OFQRWUPVSA-N 2 2 278.465 3.287 20 0 CGADLP CCc1ccccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001141226892 804614753 /nfs/dbraw/zinc/61/47/53/804614753.db2.gz OLTQEUKCGCUFKP-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CCc1ccccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001141226892 804614755 /nfs/dbraw/zinc/61/47/55/804614755.db2.gz OLTQEUKCGCUFKP-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP Cc1c2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c2ccc1F ZINC001247011681 804640642 /nfs/dbraw/zinc/64/06/42/804640642.db2.gz TVQQVVSULOFJAI-UHFFFAOYSA-N 2 2 273.355 3.258 20 0 CGADLP CC[N@H+](Cc1csc(Cl)c1)C1CC[NH+](C)CC1 ZINC001142769734 804766794 /nfs/dbraw/zinc/76/67/94/804766794.db2.gz ZTYXVRBLIIVHQM-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[N@@H+](Cc1csc(Cl)c1)C1CC[NH+](C)CC1 ZINC001142769734 804766797 /nfs/dbraw/zinc/76/67/97/804766797.db2.gz ZTYXVRBLIIVHQM-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001250182770 805469317 /nfs/dbraw/zinc/46/93/17/805469317.db2.gz ZSZKNQGVEVGDLX-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001250182770 805469321 /nfs/dbraw/zinc/46/93/21/805469321.db2.gz ZSZKNQGVEVGDLX-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CSc1c[nH+]c(NC[C@H]2CCC[NH2+]C[C@H]2C)c(C)c1 ZINC001155029188 805526414 /nfs/dbraw/zinc/52/64/14/805526414.db2.gz FBDCKVWGJSLLFS-CHWSQXEVSA-N 2 2 279.453 3.160 20 0 CGADLP CCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257258211 807074063 /nfs/dbraw/zinc/07/40/63/807074063.db2.gz DGJIYNUXLJHREI-SOLBZPMBSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257258211 807074069 /nfs/dbraw/zinc/07/40/69/807074069.db2.gz DGJIYNUXLJHREI-SOLBZPMBSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257258211 807074077 /nfs/dbraw/zinc/07/40/77/807074077.db2.gz DGJIYNUXLJHREI-SOLBZPMBSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257258211 807074085 /nfs/dbraw/zinc/07/40/85/807074085.db2.gz DGJIYNUXLJHREI-SOLBZPMBSA-N 2 2 287.451 3.024 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001167281373 807174850 /nfs/dbraw/zinc/17/48/50/807174850.db2.gz XLCFVNXMAGFGJT-HNNXBMFYSA-N 2 2 292.386 3.346 20 0 CGADLP C[N@H+]1CC[C@H](Nc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001167281373 807174854 /nfs/dbraw/zinc/17/48/54/807174854.db2.gz XLCFVNXMAGFGJT-HNNXBMFYSA-N 2 2 292.386 3.346 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001258052761 807278133 /nfs/dbraw/zinc/27/81/33/807278133.db2.gz RSOVIFDXHUSSCB-HUUCEWRRSA-N 2 2 251.418 3.324 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258063438 807283625 /nfs/dbraw/zinc/28/36/25/807283625.db2.gz MWSVDUWNRDGRKE-CABCVRRESA-N 2 2 254.462 3.473 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258063438 807283628 /nfs/dbraw/zinc/28/36/28/807283628.db2.gz MWSVDUWNRDGRKE-CABCVRRESA-N 2 2 254.462 3.473 20 0 CGADLP CSCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258224030 807374449 /nfs/dbraw/zinc/37/44/49/807374449.db2.gz JPGVABFAEYOERJ-CQSZACIVSA-N 2 2 293.480 3.090 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168399107 807405441 /nfs/dbraw/zinc/40/54/41/807405441.db2.gz XKSZEVMADVTXNO-SFHVURJKSA-N 2 2 290.426 3.005 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258595613 807495661 /nfs/dbraw/zinc/49/56/61/807495661.db2.gz FCJGURDLIKULKU-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)C1 ZINC001258603893 807502297 /nfs/dbraw/zinc/50/22/97/807502297.db2.gz RIBPEOUCWOTUCS-NUJGCVRESA-N 2 2 299.462 3.024 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001169094015 807573001 /nfs/dbraw/zinc/57/30/01/807573001.db2.gz KCBBLWZNOJDJPQ-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001169094015 807573005 /nfs/dbraw/zinc/57/30/05/807573005.db2.gz KCBBLWZNOJDJPQ-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001169093466 807574143 /nfs/dbraw/zinc/57/41/43/807574143.db2.gz HXYBXCHZOJLUSM-CLLJXQQHSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001169093466 807574148 /nfs/dbraw/zinc/57/41/48/807574148.db2.gz HXYBXCHZOJLUSM-CLLJXQQHSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001258739171 807584582 /nfs/dbraw/zinc/58/45/82/807584582.db2.gz RLNSPPBVNNMCJV-UONOGXRCSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1[nH+]c2ccc(-n3ccc([C@@H](C)[NH3+])n3)cc2n1C(C)C ZINC001169234567 807611053 /nfs/dbraw/zinc/61/10/53/807611053.db2.gz YXWVZXDLQAYNOI-LLVKDONJSA-N 2 2 283.379 3.131 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001169264540 807617665 /nfs/dbraw/zinc/61/76/65/807617665.db2.gz HKECDHSYVNQADI-QGZVFWFLSA-N 2 2 273.424 3.011 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001169264540 807617668 /nfs/dbraw/zinc/61/76/68/807617668.db2.gz HKECDHSYVNQADI-QGZVFWFLSA-N 2 2 273.424 3.011 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258809784 807629333 /nfs/dbraw/zinc/62/93/33/807629333.db2.gz BXTRTZQBAFCGNF-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001258908543 807672634 /nfs/dbraw/zinc/67/26/34/807672634.db2.gz WZPVIRPBOGHMAF-KBPBESRZSA-N 2 2 294.405 3.424 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001258908543 807672636 /nfs/dbraw/zinc/67/26/36/807672636.db2.gz WZPVIRPBOGHMAF-KBPBESRZSA-N 2 2 294.405 3.424 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239413 807799606 /nfs/dbraw/zinc/79/96/06/807799606.db2.gz ADRHDJLOMFUVKG-QZTJIDSGSA-N 2 2 294.483 3.283 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239413 807799608 /nfs/dbraw/zinc/79/96/08/807799608.db2.gz ADRHDJLOMFUVKG-QZTJIDSGSA-N 2 2 294.483 3.283 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767927 807904385 /nfs/dbraw/zinc/90/43/85/807904385.db2.gz SILAVKCWVIFMMV-YHUYYLMFSA-N 2 2 286.419 3.278 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767927 807904390 /nfs/dbraw/zinc/90/43/90/807904390.db2.gz SILAVKCWVIFMMV-YHUYYLMFSA-N 2 2 286.419 3.278 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016839 807961291 /nfs/dbraw/zinc/96/12/91/807961291.db2.gz BPYSOSIQOUXHJY-CABCVRRESA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016839 807961294 /nfs/dbraw/zinc/96/12/94/807961294.db2.gz BPYSOSIQOUXHJY-CABCVRRESA-N 2 2 292.854 3.270 20 0 CGADLP c1ccc(COc2cc(NC[C@@H]3CCCC[NH2+]3)cc[nH+]2)cc1 ZINC001171329375 808027762 /nfs/dbraw/zinc/02/77/62/808027762.db2.gz JBIWKNQUBLWHEJ-KRWDZBQOSA-N 2 2 297.402 3.215 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cnoc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972063 808163084 /nfs/dbraw/zinc/16/30/84/808163084.db2.gz MTSKFJHNLXZGFZ-QGZVFWFLSA-N 2 2 299.418 3.207 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cnoc2)CC[N@H+]1Cc1ccccc1 ZINC001171972063 808163086 /nfs/dbraw/zinc/16/30/86/808163086.db2.gz MTSKFJHNLXZGFZ-QGZVFWFLSA-N 2 2 299.418 3.207 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC001172368827 808264429 /nfs/dbraw/zinc/26/44/29/808264429.db2.gz JTMLDJAFAPYJJN-QKPAOTATSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC001172368827 808264431 /nfs/dbraw/zinc/26/44/31/808264431.db2.gz JTMLDJAFAPYJJN-QKPAOTATSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC001172368826 808264905 /nfs/dbraw/zinc/26/49/05/808264905.db2.gz JTMLDJAFAPYJJN-LVQVYYBASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC001172368826 808264908 /nfs/dbraw/zinc/26/49/08/808264908.db2.gz JTMLDJAFAPYJJN-LVQVYYBASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383797 808276811 /nfs/dbraw/zinc/27/68/11/808276811.db2.gz RYPUSNGXUWNSSU-MTSZKFMLSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383797 808276816 /nfs/dbraw/zinc/27/68/16/808276816.db2.gz RYPUSNGXUWNSSU-MTSZKFMLSA-N 2 2 282.447 3.319 20 0 CGADLP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172414368 808299733 /nfs/dbraw/zinc/29/97/33/808299733.db2.gz POZIUAKDFZZIBP-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CCOCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172414368 808299738 /nfs/dbraw/zinc/29/97/38/808299738.db2.gz POZIUAKDFZZIBP-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172720718 808418813 /nfs/dbraw/zinc/41/88/13/808418813.db2.gz VWHYPYSLYPZONW-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172720718 808418818 /nfs/dbraw/zinc/41/88/18/808418818.db2.gz VWHYPYSLYPZONW-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001173237391 808546018 /nfs/dbraw/zinc/54/60/18/808546018.db2.gz IUJVNOLXSYZMOR-OAHLLOKOSA-N 2 2 271.408 3.056 20 0 CGADLP Cc1[nH]c2ccc(Nc3ccc4[nH+]ccn4c3)cc2[nH+]1 ZINC001213071514 815219073 /nfs/dbraw/zinc/21/90/73/815219073.db2.gz VWVLKPPEDSRZCV-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001173273218 808577244 /nfs/dbraw/zinc/57/72/44/808577244.db2.gz MTRCXAVLKKLIHS-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001173273218 808577249 /nfs/dbraw/zinc/57/72/49/808577249.db2.gz MTRCXAVLKKLIHS-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cn2cc(Nc3cc[nH+]c4ccccc34)ccc2[nH+]1 ZINC001174038718 808837280 /nfs/dbraw/zinc/83/72/80/808837280.db2.gz GLAKOYHNNIRIPW-UHFFFAOYSA-N 2 2 274.327 3.356 20 0 CGADLP C1=CO[C@@H](C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001274899707 808891362 /nfs/dbraw/zinc/89/13/62/808891362.db2.gz LOASZQMGWHOULK-QGZVFWFLSA-N 2 2 290.451 3.020 20 0 CGADLP C1=CO[C@@H](C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001274899707 808891369 /nfs/dbraw/zinc/89/13/69/808891369.db2.gz LOASZQMGWHOULK-QGZVFWFLSA-N 2 2 290.451 3.020 20 0 CGADLP CC(C)(C)C[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275050806 808900217 /nfs/dbraw/zinc/90/02/17/808900217.db2.gz KEAPVIRYUDFWAO-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275050806 808900219 /nfs/dbraw/zinc/90/02/19/808900219.db2.gz KEAPVIRYUDFWAO-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275050806 808900222 /nfs/dbraw/zinc/90/02/22/808900222.db2.gz KEAPVIRYUDFWAO-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)(C)C[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275050806 808900226 /nfs/dbraw/zinc/90/02/26/808900226.db2.gz KEAPVIRYUDFWAO-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001275829566 808969811 /nfs/dbraw/zinc/96/98/11/808969811.db2.gz VNMIAKNLRQOTJF-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001275829566 808969814 /nfs/dbraw/zinc/96/98/14/808969814.db2.gz VNMIAKNLRQOTJF-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001275829566 808969818 /nfs/dbraw/zinc/96/98/18/808969818.db2.gz VNMIAKNLRQOTJF-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001275829566 808969820 /nfs/dbraw/zinc/96/98/20/808969820.db2.gz VNMIAKNLRQOTJF-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cc[nH+]c(N(C)C)c1 ZINC001213494503 815289672 /nfs/dbraw/zinc/28/96/72/815289672.db2.gz AFCXKDALXABLMO-UHFFFAOYSA-N 2 2 268.364 3.472 20 0 CGADLP Cc1c[nH+]cc(Nc2c[nH+]c3cccc(C)n23)c1C ZINC001213529086 815300663 /nfs/dbraw/zinc/30/06/63/815300663.db2.gz VSLPTBCACATZIY-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001177931964 809833373 /nfs/dbraw/zinc/83/33/73/809833373.db2.gz FIWNZVCZFWQNII-UHFFFAOYSA-N 2 2 299.418 3.461 20 0 CGADLP CCCn1c[nH+]cc1CNc1cc2c(c[nH+]1)CCCC2 ZINC001178800473 809888516 /nfs/dbraw/zinc/88/85/16/809888516.db2.gz DLEXIUMPCQMESV-UHFFFAOYSA-N 2 2 270.380 3.179 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)C1 ZINC001181244502 810043818 /nfs/dbraw/zinc/04/38/18/810043818.db2.gz UFRURZLCEKZTME-JYJNAYRXSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)C1 ZINC001181244502 810043820 /nfs/dbraw/zinc/04/38/20/810043820.db2.gz UFRURZLCEKZTME-JYJNAYRXSA-N 2 2 264.457 3.277 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918987 810131063 /nfs/dbraw/zinc/13/10/63/810131063.db2.gz UNRYZHRRGYDTLM-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918987 810131066 /nfs/dbraw/zinc/13/10/66/810131066.db2.gz UNRYZHRRGYDTLM-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP CCc1cc(N[C@H](C)C[NH+]2CCC(C)CC2)nc(CC)[nH+]1 ZINC001187034866 810381366 /nfs/dbraw/zinc/38/13/66/810381366.db2.gz OVTQEEOFPUSBEQ-CQSZACIVSA-N 2 2 290.455 3.134 20 0 CGADLP COc1cc(Nc2cccc(C[NH+](C)C)c2)cc(C)[nH+]1 ZINC001201391743 811826414 /nfs/dbraw/zinc/82/64/14/811826414.db2.gz JCRRPAFEMONABB-UHFFFAOYSA-N 2 2 271.364 3.204 20 0 CGADLP c1cc(-c2ccc3c(C4C[NH+](CC5CC5)C4)[nH+]cn3c2)co1 ZINC001201918412 811974967 /nfs/dbraw/zinc/97/49/67/811974967.db2.gz OKEIUYFVKIDKFM-UHFFFAOYSA-N 2 2 293.370 3.404 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001202190347 812035488 /nfs/dbraw/zinc/03/54/88/812035488.db2.gz OTHFGRVMBLIXBY-HNNXBMFYSA-N 2 2 260.381 3.033 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001202190347 812035497 /nfs/dbraw/zinc/03/54/97/812035497.db2.gz OTHFGRVMBLIXBY-HNNXBMFYSA-N 2 2 260.381 3.033 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001203407564 812345659 /nfs/dbraw/zinc/34/56/59/812345659.db2.gz BIDSXZVDSIBREU-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001203407564 812345666 /nfs/dbraw/zinc/34/56/66/812345666.db2.gz BIDSXZVDSIBREU-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CNc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001203456260 812364792 /nfs/dbraw/zinc/36/47/92/812364792.db2.gz AQNONXAIGWQZQS-UHFFFAOYSA-N 2 2 282.391 3.463 20 0 CGADLP CNc1ccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c[nH+]1 ZINC001203462607 812370336 /nfs/dbraw/zinc/37/03/36/812370336.db2.gz WPXXGUCXVYXJNH-HNNXBMFYSA-N 2 2 298.390 3.252 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001203956158 812500962 /nfs/dbraw/zinc/50/09/62/812500962.db2.gz KALDYNHCJSOANH-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001204292548 812600828 /nfs/dbraw/zinc/60/08/28/812600828.db2.gz GIIKVRRJSMEPEN-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001204292548 812600832 /nfs/dbraw/zinc/60/08/32/812600832.db2.gz GIIKVRRJSMEPEN-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001204292548 812600834 /nfs/dbraw/zinc/60/08/34/812600834.db2.gz GIIKVRRJSMEPEN-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001204292548 812600838 /nfs/dbraw/zinc/60/08/38/812600838.db2.gz GIIKVRRJSMEPEN-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP CCCOc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001204310284 812607899 /nfs/dbraw/zinc/60/78/99/812607899.db2.gz KXGFSACBMFSJEL-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCCOc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001204310284 812607902 /nfs/dbraw/zinc/60/79/02/812607902.db2.gz KXGFSACBMFSJEL-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)oc1C ZINC001204541131 812673753 /nfs/dbraw/zinc/67/37/53/812673753.db2.gz GOBISGYKQUCSIQ-UHFFFAOYSA-N 2 2 264.413 3.201 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)oc1C ZINC001204541131 812673755 /nfs/dbraw/zinc/67/37/55/812673755.db2.gz GOBISGYKQUCSIQ-UHFFFAOYSA-N 2 2 264.413 3.201 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[NH2+]CC3)ccc21 ZINC001204660729 812702397 /nfs/dbraw/zinc/70/23/97/812702397.db2.gz LBCYHXSWJUVEEJ-UHFFFAOYSA-N 2 2 293.414 3.127 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[NH2+]CC3)ccc21 ZINC001204660729 812702405 /nfs/dbraw/zinc/70/24/05/812702405.db2.gz LBCYHXSWJUVEEJ-UHFFFAOYSA-N 2 2 293.414 3.127 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204945131 812790520 /nfs/dbraw/zinc/79/05/20/812790520.db2.gz GFHLVGPYWNXOCZ-QGZVFWFLSA-N 2 2 260.425 3.342 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204945131 812790522 /nfs/dbraw/zinc/79/05/22/812790522.db2.gz GFHLVGPYWNXOCZ-QGZVFWFLSA-N 2 2 260.425 3.342 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccccc1-c1nccs1 ZINC001205069359 812846398 /nfs/dbraw/zinc/84/63/98/812846398.db2.gz YLVWOWULRGTVAU-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccccc1-c1nccs1 ZINC001205069359 812846405 /nfs/dbraw/zinc/84/64/05/812846405.db2.gz YLVWOWULRGTVAU-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205190436 812903369 /nfs/dbraw/zinc/90/33/69/812903369.db2.gz OVSBLDGMYJAHNY-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001205190436 812903376 /nfs/dbraw/zinc/90/33/76/812903376.db2.gz OVSBLDGMYJAHNY-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP CC[NH+](CC)Cc1ccc(NCc2ccc[nH+]c2N)cc1 ZINC001205423376 812981295 /nfs/dbraw/zinc/98/12/95/812981295.db2.gz OEWAFVIYEOUIMB-UHFFFAOYSA-N 2 2 284.407 3.118 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815555 813091859 /nfs/dbraw/zinc/09/18/59/813091859.db2.gz HGVIHKZGCTYBFU-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815555 813091864 /nfs/dbraw/zinc/09/18/64/813091864.db2.gz HGVIHKZGCTYBFU-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205816215 813092676 /nfs/dbraw/zinc/09/26/76/813092676.db2.gz KONGUGYFVDEWKK-RDJZCZTQSA-N 2 2 290.451 3.281 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205816215 813092678 /nfs/dbraw/zinc/09/26/78/813092678.db2.gz KONGUGYFVDEWKK-RDJZCZTQSA-N 2 2 290.451 3.281 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2n1 ZINC001205831163 813101819 /nfs/dbraw/zinc/10/18/19/813101819.db2.gz WRTSRPMBOTXBLC-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2n1 ZINC001205831163 813101822 /nfs/dbraw/zinc/10/18/22/813101822.db2.gz WRTSRPMBOTXBLC-GUYCJALGSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903510 813126599 /nfs/dbraw/zinc/12/65/99/813126599.db2.gz PTJZLJSCNFYWOY-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903510 813126603 /nfs/dbraw/zinc/12/66/03/813126603.db2.gz PTJZLJSCNFYWOY-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC001205939625 813142033 /nfs/dbraw/zinc/14/20/33/813142033.db2.gz SRGKBPOJBLULPT-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC001205939625 813142037 /nfs/dbraw/zinc/14/20/37/813142037.db2.gz SRGKBPOJBLULPT-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@H]1F ZINC001206163917 813221056 /nfs/dbraw/zinc/22/10/56/813221056.db2.gz HWCDGRDWRULURD-KGLIPLIRSA-N 2 2 295.789 3.083 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@H]1F ZINC001206163917 813221061 /nfs/dbraw/zinc/22/10/61/813221061.db2.gz HWCDGRDWRULURD-KGLIPLIRSA-N 2 2 295.789 3.083 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257915 813259725 /nfs/dbraw/zinc/25/97/25/813259725.db2.gz MWBPJNYUJFHBAX-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001206257915 813259729 /nfs/dbraw/zinc/25/97/29/813259729.db2.gz MWBPJNYUJFHBAX-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206262817 813262776 /nfs/dbraw/zinc/26/27/76/813262776.db2.gz HYBFSRVSSXNRME-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001206262817 813262781 /nfs/dbraw/zinc/26/27/81/813262781.db2.gz HYBFSRVSSXNRME-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc(C)c1OC(C)C ZINC001206269734 813265638 /nfs/dbraw/zinc/26/56/38/813265638.db2.gz TVWXPBLTDVOUAO-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc(C)c1OC(C)C ZINC001206269734 813265642 /nfs/dbraw/zinc/26/56/42/813265642.db2.gz TVWXPBLTDVOUAO-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc(C)c1OC(C)C ZINC001206284644 813271406 /nfs/dbraw/zinc/27/14/06/813271406.db2.gz FNZNJRRGFOCUEO-AWEZNQCLSA-N 2 2 290.451 3.132 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc(C)c1OC(C)C ZINC001206284644 813271408 /nfs/dbraw/zinc/27/14/08/813271408.db2.gz FNZNJRRGFOCUEO-AWEZNQCLSA-N 2 2 290.451 3.132 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206380080 813307883 /nfs/dbraw/zinc/30/78/83/813307883.db2.gz MMSSWMCLDVCMEV-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206380080 813307890 /nfs/dbraw/zinc/30/78/90/813307890.db2.gz MMSSWMCLDVCMEV-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001206640303 813384450 /nfs/dbraw/zinc/38/44/50/813384450.db2.gz ILRSVIYURPVOPZ-LBPRGKRZSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001206640303 813384459 /nfs/dbraw/zinc/38/44/59/813384459.db2.gz ILRSVIYURPVOPZ-LBPRGKRZSA-N 2 2 284.806 3.348 20 0 CGADLP CCc1ccc(C)[nH+]c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206708666 813403870 /nfs/dbraw/zinc/40/38/70/813403870.db2.gz UKXIUFUMWXCMHX-UHFFFAOYSA-N 2 2 270.380 3.465 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2cccc(-c3ccsc3)c2)C1 ZINC001206722393 813406430 /nfs/dbraw/zinc/40/64/30/813406430.db2.gz AKPMUMRTCOPMFV-UHFFFAOYSA-N 2 2 272.417 3.196 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206738226 813414092 /nfs/dbraw/zinc/41/40/92/813414092.db2.gz XPYVYIIHSJFEEI-UHFFFAOYSA-N 2 2 296.414 3.143 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206807241 813441058 /nfs/dbraw/zinc/44/10/58/813441058.db2.gz HYXZZWCZHPWRRP-ZYHUDNBSSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206807241 813441059 /nfs/dbraw/zinc/44/10/59/813441059.db2.gz HYXZZWCZHPWRRP-ZYHUDNBSSA-N 2 2 284.806 3.347 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207057819 813474142 /nfs/dbraw/zinc/47/41/42/813474142.db2.gz LRECTRQTMRHFSP-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@H+]1C1CCCC1 ZINC001207057819 813474147 /nfs/dbraw/zinc/47/41/47/813474147.db2.gz LRECTRQTMRHFSP-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP CCSc1ccccc1CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001207491969 813576157 /nfs/dbraw/zinc/57/61/57/813576157.db2.gz FRHUFFYVCSIKBP-MRXNPFEDSA-N 2 2 292.492 3.415 20 0 CGADLP CCSc1ccccc1CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001207491969 813576159 /nfs/dbraw/zinc/57/61/59/813576159.db2.gz FRHUFFYVCSIKBP-MRXNPFEDSA-N 2 2 292.492 3.415 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](C)c1ccccc1 ZINC001207913355 813670610 /nfs/dbraw/zinc/67/06/10/813670610.db2.gz KOIBBZAXIGRLIP-OAHLLOKOSA-N 2 2 257.381 3.009 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)c1ccccc1 ZINC001207913355 813670614 /nfs/dbraw/zinc/67/06/14/813670614.db2.gz KOIBBZAXIGRLIP-OAHLLOKOSA-N 2 2 257.381 3.009 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001208134388 813701866 /nfs/dbraw/zinc/70/18/66/813701866.db2.gz JHCNBVLWGOKRIW-FPXQDXNASA-N 2 2 299.462 3.192 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO1 ZINC001208167429 813722645 /nfs/dbraw/zinc/72/26/45/813722645.db2.gz GCCWQJFATDROKI-OKZBNKHCSA-N 2 2 294.483 3.021 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO1 ZINC001208167429 813722646 /nfs/dbraw/zinc/72/26/46/813722646.db2.gz GCCWQJFATDROKI-OKZBNKHCSA-N 2 2 294.483 3.021 20 0 CGADLP Fc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001208195960 813741262 /nfs/dbraw/zinc/74/12/62/813741262.db2.gz JVQLJFINKWFSKU-UHFFFAOYSA-N 2 2 290.426 3.319 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603325 813771115 /nfs/dbraw/zinc/77/11/15/813771115.db2.gz BEBTVAINUBZITO-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603325 813771118 /nfs/dbraw/zinc/77/11/18/813771118.db2.gz BEBTVAINUBZITO-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603325 813771122 /nfs/dbraw/zinc/77/11/22/813771122.db2.gz BEBTVAINUBZITO-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001208603325 813771126 /nfs/dbraw/zinc/77/11/26/813771126.db2.gz BEBTVAINUBZITO-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@@H]3C2)c1 ZINC001208694005 813797729 /nfs/dbraw/zinc/79/77/29/813797729.db2.gz UUNPVFKOYFJRFM-RTBURBONSA-N 2 2 299.462 3.026 20 0 CGADLP CC/C=C\CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208725578 813816540 /nfs/dbraw/zinc/81/65/40/813816540.db2.gz MCBHQASZMPGNLC-ARJAWSKDSA-N 2 2 260.381 3.281 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC001209499244 814065215 /nfs/dbraw/zinc/06/52/15/814065215.db2.gz LMHFCHKPBZEBBW-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c2c1 ZINC001209499244 814065218 /nfs/dbraw/zinc/06/52/18/814065218.db2.gz LMHFCHKPBZEBBW-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c2c1 ZINC001209499244 814065221 /nfs/dbraw/zinc/06/52/21/814065221.db2.gz LMHFCHKPBZEBBW-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c2c1 ZINC001209499244 814065223 /nfs/dbraw/zinc/06/52/23/814065223.db2.gz LMHFCHKPBZEBBW-KBXCAEBGSA-N 2 2 283.419 3.002 20 0 CGADLP Fc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c2c1 ZINC001209693932 814113402 /nfs/dbraw/zinc/11/34/02/814113402.db2.gz FCXLTNIVGRHJFX-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3ccc4[nH]c[nH+]c4c3)n21 ZINC001209847288 814163452 /nfs/dbraw/zinc/16/34/52/814163452.db2.gz FFLMOHSSIYAJGX-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP C[N@@H+]1CCc2ncc(Nc3cccc4cc[nH+]cc43)cc2C1 ZINC001210223950 814351004 /nfs/dbraw/zinc/35/10/04/814351004.db2.gz LCWBWWQIVBPKTA-UHFFFAOYSA-N 2 2 290.370 3.361 20 0 CGADLP C[N@H+]1CCc2ncc(Nc3cccc4cc[nH+]cc43)cc2C1 ZINC001210223950 814351011 /nfs/dbraw/zinc/35/10/11/814351011.db2.gz LCWBWWQIVBPKTA-UHFFFAOYSA-N 2 2 290.370 3.361 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476673 814479242 /nfs/dbraw/zinc/47/92/42/814479242.db2.gz XCMKAKIYFOYNAW-OAHLLOKOSA-N 2 2 298.430 3.422 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476673 814479247 /nfs/dbraw/zinc/47/92/47/814479247.db2.gz XCMKAKIYFOYNAW-OAHLLOKOSA-N 2 2 298.430 3.422 20 0 CGADLP CCN(C)c1ccc(Nc2cccc(C[NH2+]C)c2F)c[nH+]1 ZINC001216223207 815742703 /nfs/dbraw/zinc/74/27/03/815742703.db2.gz LRPSYGGXRQBBHL-UHFFFAOYSA-N 2 2 288.370 3.140 20 0 CGADLP c1cn2cc(Nc3c[nH+]cn3Cc3ccccc3)ccc2[nH+]1 ZINC001216550007 815855858 /nfs/dbraw/zinc/85/58/58/815855858.db2.gz FRQMWKLGYQCKCI-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222190630 816371070 /nfs/dbraw/zinc/37/10/70/816371070.db2.gz DGSRXJHNHVLDLN-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]23CCC[NH2+]C3)c2ccccc12 ZINC001222190630 816371078 /nfs/dbraw/zinc/37/10/78/816371078.db2.gz DGSRXJHNHVLDLN-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192363 816371407 /nfs/dbraw/zinc/37/14/07/816371407.db2.gz VUYMOHQLKFWAGQ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192363 816371414 /nfs/dbraw/zinc/37/14/14/816371414.db2.gz VUYMOHQLKFWAGQ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243869 816385419 /nfs/dbraw/zinc/38/54/19/816385419.db2.gz QCNRZCFCVUDKGN-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243869 816385426 /nfs/dbraw/zinc/38/54/26/816385426.db2.gz QCNRZCFCVUDKGN-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001222258526 816388920 /nfs/dbraw/zinc/38/89/20/816388920.db2.gz CCTWMILWKHAGIF-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001222258526 816388926 /nfs/dbraw/zinc/38/89/26/816388926.db2.gz CCTWMILWKHAGIF-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001222258527 816389229 /nfs/dbraw/zinc/38/92/29/816389229.db2.gz CCTWMILWKHAGIF-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2[nH]ccc21 ZINC001222258527 816389237 /nfs/dbraw/zinc/38/92/37/816389237.db2.gz CCTWMILWKHAGIF-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222282929 816395300 /nfs/dbraw/zinc/39/53/00/816395300.db2.gz QYVDZBIGDMVMCB-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222282929 816395307 /nfs/dbraw/zinc/39/53/07/816395307.db2.gz QYVDZBIGDMVMCB-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222314896 816406335 /nfs/dbraw/zinc/40/63/35/816406335.db2.gz KMMGHYUFGMMXLX-INIZCTEOSA-N 2 2 298.352 3.212 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222314896 816406336 /nfs/dbraw/zinc/40/63/36/816406336.db2.gz KMMGHYUFGMMXLX-INIZCTEOSA-N 2 2 298.352 3.212 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c12 ZINC001222359899 816418615 /nfs/dbraw/zinc/41/86/15/816418615.db2.gz BFHSJYSACSUKFV-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c12 ZINC001222359899 816418619 /nfs/dbraw/zinc/41/86/19/816418619.db2.gz BFHSJYSACSUKFV-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2[nH]1 ZINC001222385613 816425873 /nfs/dbraw/zinc/42/58/73/816425873.db2.gz RQKRXUVSXMETNJ-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP c1cc2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2[nH]1 ZINC001222385613 816425878 /nfs/dbraw/zinc/42/58/78/816425878.db2.gz RQKRXUVSXMETNJ-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc(C)c1O ZINC001222389554 816428777 /nfs/dbraw/zinc/42/87/77/816428777.db2.gz BDWOKWWTHRUKLC-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc(C)c1O ZINC001222389554 816428781 /nfs/dbraw/zinc/42/87/81/816428781.db2.gz BDWOKWWTHRUKLC-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2c1 ZINC001222389800 816428830 /nfs/dbraw/zinc/42/88/30/816428830.db2.gz GLIVWELJNVSGRL-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc2c1 ZINC001222389800 816428833 /nfs/dbraw/zinc/42/88/33/816428833.db2.gz GLIVWELJNVSGRL-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222427679 816442985 /nfs/dbraw/zinc/44/29/85/816442985.db2.gz WQHZTJUMGROFBD-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222427679 816442986 /nfs/dbraw/zinc/44/29/86/816442986.db2.gz WQHZTJUMGROFBD-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2o1 ZINC001222436768 816445480 /nfs/dbraw/zinc/44/54/80/816445480.db2.gz ZWIJWGCSQCUSRM-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2o1 ZINC001222436768 816445481 /nfs/dbraw/zinc/44/54/81/816445481.db2.gz ZWIJWGCSQCUSRM-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222471509 816453007 /nfs/dbraw/zinc/45/30/07/816453007.db2.gz QDMHODQUWDMCKS-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222471509 816453011 /nfs/dbraw/zinc/45/30/11/816453011.db2.gz QDMHODQUWDMCKS-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP COc1cc(C)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001243245971 823311769 /nfs/dbraw/zinc/31/17/69/823311769.db2.gz SOYBVMFBIPAULW-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001243245971 823311775 /nfs/dbraw/zinc/31/17/75/823311775.db2.gz SOYBVMFBIPAULW-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC001231647431 818147338 /nfs/dbraw/zinc/14/73/38/818147338.db2.gz WQSDUGQFRYCGKZ-SFHVURJKSA-N 2 2 297.402 3.082 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC001231647431 818147343 /nfs/dbraw/zinc/14/73/43/818147343.db2.gz WQSDUGQFRYCGKZ-SFHVURJKSA-N 2 2 297.402 3.082 20 0 CGADLP C[N@H+](Cc1cc2ccc(Cl)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001232726590 818423501 /nfs/dbraw/zinc/42/35/01/818423501.db2.gz HFBBASKRKDZGFB-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001232726590 818423505 /nfs/dbraw/zinc/42/35/05/818423505.db2.gz HFBBASKRKDZGFB-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)sc1C ZINC001233700427 818685743 /nfs/dbraw/zinc/68/57/43/818685743.db2.gz MGSRXHMBWGDHGQ-UHFFFAOYSA-N 2 2 278.465 3.424 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)sc1C ZINC001233700427 818685749 /nfs/dbraw/zinc/68/57/49/818685749.db2.gz MGSRXHMBWGDHGQ-UHFFFAOYSA-N 2 2 278.465 3.424 20 0 CGADLP CCc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001234997709 818972691 /nfs/dbraw/zinc/97/26/91/818972691.db2.gz DXJWCRKZZPGBSP-QGZVFWFLSA-N 2 2 292.854 3.478 20 0 CGADLP CCc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001234997709 818972693 /nfs/dbraw/zinc/97/26/93/818972693.db2.gz DXJWCRKZZPGBSP-QGZVFWFLSA-N 2 2 292.854 3.478 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001235007073 818977946 /nfs/dbraw/zinc/97/79/46/818977946.db2.gz NYEFILMIVMCKFE-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC001235007073 818977952 /nfs/dbraw/zinc/97/79/52/818977952.db2.gz NYEFILMIVMCKFE-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)s2)c1 ZINC001235024849 818981159 /nfs/dbraw/zinc/98/11/59/818981159.db2.gz QGRMJPCOQFVUIL-UHFFFAOYSA-N 2 2 290.457 3.272 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)s2)c1 ZINC001235024849 818981164 /nfs/dbraw/zinc/98/11/64/818981164.db2.gz QGRMJPCOQFVUIL-UHFFFAOYSA-N 2 2 290.457 3.272 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235033472 818984252 /nfs/dbraw/zinc/98/42/52/818984252.db2.gz OPWKDEPIDXHMLC-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235033472 818984256 /nfs/dbraw/zinc/98/42/56/818984256.db2.gz OPWKDEPIDXHMLC-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP c1ccc(C(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c2ccccc2)cc1 ZINC001235039536 818986674 /nfs/dbraw/zinc/98/66/74/818986674.db2.gz VGFDYADXBMUUDS-VQTJNVASSA-N 2 2 292.426 3.255 20 0 CGADLP c1ccc(C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c2ccccc2)cc1 ZINC001235039536 818986681 /nfs/dbraw/zinc/98/66/81/818986681.db2.gz VGFDYADXBMUUDS-VQTJNVASSA-N 2 2 292.426 3.255 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112208 819006802 /nfs/dbraw/zinc/00/68/02/819006802.db2.gz YPZVCLRWOLVPOH-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112208 819006807 /nfs/dbraw/zinc/00/68/07/819006807.db2.gz YPZVCLRWOLVPOH-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235118687 819010415 /nfs/dbraw/zinc/01/04/15/819010415.db2.gz GXJWHNDJTVIGGW-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235118687 819010416 /nfs/dbraw/zinc/01/04/16/819010416.db2.gz GXJWHNDJTVIGGW-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)ccc1C ZINC001235167100 819021351 /nfs/dbraw/zinc/02/13/51/819021351.db2.gz FPHKMBWJQJUAAG-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)ccc1C ZINC001235167100 819021355 /nfs/dbraw/zinc/02/13/55/819021355.db2.gz FPHKMBWJQJUAAG-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235546 819042995 /nfs/dbraw/zinc/04/29/95/819042995.db2.gz MZZJLGZIMWIKHP-CABCVRRESA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235546 819042999 /nfs/dbraw/zinc/04/29/99/819042999.db2.gz MZZJLGZIMWIKHP-CABCVRRESA-N 2 2 298.352 3.074 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235254706 819052152 /nfs/dbraw/zinc/05/21/52/819052152.db2.gz CQGBQKVKNDBIPC-HZPDHXFCSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235254706 819052158 /nfs/dbraw/zinc/05/21/58/819052158.db2.gz CQGBQKVKNDBIPC-HZPDHXFCSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001235348317 819074520 /nfs/dbraw/zinc/07/45/20/819074520.db2.gz XEKOZDLSDWSZSY-QGZVFWFLSA-N 2 2 274.452 3.413 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC001235348317 819074524 /nfs/dbraw/zinc/07/45/24/819074524.db2.gz XEKOZDLSDWSZSY-QGZVFWFLSA-N 2 2 274.452 3.413 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362929 819080280 /nfs/dbraw/zinc/08/02/80/819080280.db2.gz PHZAHAWELQHROS-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235362929 819080290 /nfs/dbraw/zinc/08/02/90/819080290.db2.gz PHZAHAWELQHROS-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235401009 819085494 /nfs/dbraw/zinc/08/54/94/819085494.db2.gz FPGAMQKDWDBOBT-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)ccc1Cl ZINC001235401009 819085497 /nfs/dbraw/zinc/08/54/97/819085497.db2.gz FPGAMQKDWDBOBT-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675422 819135128 /nfs/dbraw/zinc/13/51/28/819135128.db2.gz XYHBVKYJRWBJNT-CYBMUJFWSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC001235675422 819135131 /nfs/dbraw/zinc/13/51/31/819135131.db2.gz XYHBVKYJRWBJNT-CYBMUJFWSA-N 2 2 296.842 3.298 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712362 819148844 /nfs/dbraw/zinc/14/88/44/819148844.db2.gz AYZYUOBPDLOZHB-UHFFFAOYSA-N 2 2 296.414 3.034 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712362 819148846 /nfs/dbraw/zinc/14/88/46/819148846.db2.gz AYZYUOBPDLOZHB-UHFFFAOYSA-N 2 2 296.414 3.034 20 0 CGADLP Clc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235930289 819228094 /nfs/dbraw/zinc/22/80/94/819228094.db2.gz VPWBQMXNCDITFB-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235930289 819228099 /nfs/dbraw/zinc/22/80/99/819228099.db2.gz VPWBQMXNCDITFB-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929135 819228269 /nfs/dbraw/zinc/22/82/69/819228269.db2.gz ITDMYUBWXCKJME-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929135 819228276 /nfs/dbraw/zinc/22/82/76/819228276.db2.gz ITDMYUBWXCKJME-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935368 819230271 /nfs/dbraw/zinc/23/02/71/819230271.db2.gz DKGVUQMEGPJGPR-NEPJUHHUSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935368 819230275 /nfs/dbraw/zinc/23/02/75/819230275.db2.gz DKGVUQMEGPJGPR-NEPJUHHUSA-N 2 2 299.245 3.343 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc2c(F)cccc12 ZINC001235948133 819237546 /nfs/dbraw/zinc/23/75/46/819237546.db2.gz USRMIVAGOGRCGY-UHFFFAOYSA-N 2 2 260.356 3.148 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc2c(F)cccc12 ZINC001235948133 819237554 /nfs/dbraw/zinc/23/75/54/819237554.db2.gz USRMIVAGOGRCGY-UHFFFAOYSA-N 2 2 260.356 3.148 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950392 819240279 /nfs/dbraw/zinc/24/02/79/819240279.db2.gz DPSGGRFPKXTTPT-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950392 819240282 /nfs/dbraw/zinc/24/02/82/819240282.db2.gz DPSGGRFPKXTTPT-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1c(F)ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235956232 819244572 /nfs/dbraw/zinc/24/45/72/819244572.db2.gz AWPCEZIOOYFDLP-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1c(F)ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235956232 819244580 /nfs/dbraw/zinc/24/45/80/819244580.db2.gz AWPCEZIOOYFDLP-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990625 819262647 /nfs/dbraw/zinc/26/26/47/819262647.db2.gz KLLBZXQNRVGTMD-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990625 819262653 /nfs/dbraw/zinc/26/26/53/819262653.db2.gz KLLBZXQNRVGTMD-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045531 819283741 /nfs/dbraw/zinc/28/37/41/819283741.db2.gz VQCFJLHDVCZHFJ-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045531 819283749 /nfs/dbraw/zinc/28/37/49/819283749.db2.gz VQCFJLHDVCZHFJ-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cc3ccccc3s2)C1 ZINC001236045900 819283888 /nfs/dbraw/zinc/28/38/88/819283888.db2.gz DTLAGVWVGSPXCL-WCQYABFASA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001236045900 819283893 /nfs/dbraw/zinc/28/38/93/819283893.db2.gz DTLAGVWVGSPXCL-WCQYABFASA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053017 819288726 /nfs/dbraw/zinc/28/87/26/819288726.db2.gz XFMRDQDMDAXZHD-OXJNMPFZSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053017 819288730 /nfs/dbraw/zinc/28/87/30/819288730.db2.gz XFMRDQDMDAXZHD-OXJNMPFZSA-N 2 2 294.442 3.447 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)cc1Cl)CC1C[NH2+]C1 ZINC001236092486 819311082 /nfs/dbraw/zinc/31/10/82/819311082.db2.gz LXYOFSLEZHJEQN-UHFFFAOYSA-N 2 2 287.234 3.423 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)cc1Cl)CC1C[NH2+]C1 ZINC001236092486 819311085 /nfs/dbraw/zinc/31/10/85/819311085.db2.gz LXYOFSLEZHJEQN-UHFFFAOYSA-N 2 2 287.234 3.423 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236143276 819343777 /nfs/dbraw/zinc/34/37/77/819343777.db2.gz HGNREICNCRSEHB-UHFFFAOYSA-N 2 2 266.388 3.038 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236143276 819343784 /nfs/dbraw/zinc/34/37/84/819343784.db2.gz HGNREICNCRSEHB-UHFFFAOYSA-N 2 2 266.388 3.038 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001236144682 819345070 /nfs/dbraw/zinc/34/50/70/819345070.db2.gz UARCBPKRWAPIER-UHFFFAOYSA-N 2 2 290.432 3.204 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001236144682 819345074 /nfs/dbraw/zinc/34/50/74/819345074.db2.gz UARCBPKRWAPIER-UHFFFAOYSA-N 2 2 290.432 3.204 20 0 CGADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236205506 819367547 /nfs/dbraw/zinc/36/75/47/819367547.db2.gz FSONEEYQUOMDJU-GOSISDBHSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236205506 819367552 /nfs/dbraw/zinc/36/75/52/819367552.db2.gz FSONEEYQUOMDJU-GOSISDBHSA-N 2 2 290.451 3.438 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210491 819371759 /nfs/dbraw/zinc/37/17/59/819371759.db2.gz CXLDZSNNYUHNNO-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236210491 819371765 /nfs/dbraw/zinc/37/17/65/819371765.db2.gz CXLDZSNNYUHNNO-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP COc1ccc2oc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236215749 819380451 /nfs/dbraw/zinc/38/04/51/819380451.db2.gz XRVCACDTENYMER-HOTGVXAUSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236215749 819380452 /nfs/dbraw/zinc/38/04/52/819380452.db2.gz XRVCACDTENYMER-HOTGVXAUSA-N 2 2 288.391 3.143 20 0 CGADLP CC[N@@H+](Cc1scc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409160 819456066 /nfs/dbraw/zinc/45/60/66/819456066.db2.gz SJCKLQHFCVXSHE-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP CC[N@H+](Cc1scc(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409160 819456070 /nfs/dbraw/zinc/45/60/70/819456070.db2.gz SJCKLQHFCVXSHE-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP c1cn(-c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)c[nH+]1 ZINC001236346877 819430523 /nfs/dbraw/zinc/43/05/23/819430523.db2.gz AJUKNSCUHJXYHG-UHFFFAOYSA-N 2 2 275.355 3.185 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419946 819466188 /nfs/dbraw/zinc/46/61/88/819466188.db2.gz MYPXGIJBBYVGGK-CXAGYDPISA-N 2 2 258.409 3.266 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419946 819466190 /nfs/dbraw/zinc/46/61/90/819466190.db2.gz MYPXGIJBBYVGGK-CXAGYDPISA-N 2 2 258.409 3.266 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)s1 ZINC001236423123 819470239 /nfs/dbraw/zinc/47/02/39/819470239.db2.gz ZSKKHDSNLNIINF-RISCZKNCSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)s1 ZINC001236423123 819470243 /nfs/dbraw/zinc/47/02/43/819470243.db2.gz ZSKKHDSNLNIINF-RISCZKNCSA-N 2 2 252.427 3.012 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468815 819489761 /nfs/dbraw/zinc/48/97/61/819489761.db2.gz QQHQHLFSBFKQOY-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(F)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468815 819489767 /nfs/dbraw/zinc/48/97/67/819489767.db2.gz QQHQHLFSBFKQOY-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC001236531499 819523598 /nfs/dbraw/zinc/52/35/98/819523598.db2.gz ZHCOVMMNHAJQAE-AWEZNQCLSA-N 2 2 297.240 3.021 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC001236531499 819523601 /nfs/dbraw/zinc/52/36/01/819523601.db2.gz ZHCOVMMNHAJQAE-AWEZNQCLSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236604764 819550017 /nfs/dbraw/zinc/55/00/17/819550017.db2.gz MWHPEVLKSBVKCA-CQSZACIVSA-N 2 2 287.234 3.207 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236604764 819550023 /nfs/dbraw/zinc/55/00/23/819550023.db2.gz MWHPEVLKSBVKCA-CQSZACIVSA-N 2 2 287.234 3.207 20 0 CGADLP CC[NH+](CC)Cc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243477856 823415780 /nfs/dbraw/zinc/41/57/80/823415780.db2.gz PWQFOPCXKJERGW-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP CCC[N@@H+](Cc1cc(F)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836544 819616387 /nfs/dbraw/zinc/61/63/87/819616387.db2.gz XEOPHFHCWDFKAQ-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1cc(F)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836544 819616392 /nfs/dbraw/zinc/61/63/92/819616392.db2.gz XEOPHFHCWDFKAQ-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)[NH3+])s2)cc1 ZINC001236895253 819632878 /nfs/dbraw/zinc/63/28/78/819632878.db2.gz OBICDARNOLFVDJ-LBPRGKRZSA-N 2 2 290.432 3.203 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])s2)cc1 ZINC001236895253 819632882 /nfs/dbraw/zinc/63/28/82/819632882.db2.gz OBICDARNOLFVDJ-LBPRGKRZSA-N 2 2 290.432 3.203 20 0 CGADLP CC[NH+](CC)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236901834 819635583 /nfs/dbraw/zinc/63/55/83/819635583.db2.gz ASJXIIOONXYGRJ-UHFFFAOYSA-N 2 2 263.772 3.368 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237079824 819662331 /nfs/dbraw/zinc/66/23/31/819662331.db2.gz BWDCYFUNBAVCDY-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237079824 819662336 /nfs/dbraw/zinc/66/23/36/819662336.db2.gz BWDCYFUNBAVCDY-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP CCc1cccc(C)c1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001237327318 819727104 /nfs/dbraw/zinc/72/71/04/819727104.db2.gz PPESLMDUQYXTMY-UHFFFAOYSA-N 2 2 298.474 3.475 20 0 CGADLP CCc1cccc(C)c1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001237327318 819727107 /nfs/dbraw/zinc/72/71/07/819727107.db2.gz PPESLMDUQYXTMY-UHFFFAOYSA-N 2 2 298.474 3.475 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382178 819737638 /nfs/dbraw/zinc/73/76/38/819737638.db2.gz MCMANFCSKSJJAO-PBHICJAKSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382178 819737642 /nfs/dbraw/zinc/73/76/42/819737642.db2.gz MCMANFCSKSJJAO-PBHICJAKSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237402616 819744905 /nfs/dbraw/zinc/74/49/05/819744905.db2.gz ISDGHLXMCLIECR-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237402616 819744909 /nfs/dbraw/zinc/74/49/09/819744909.db2.gz ISDGHLXMCLIECR-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP [NH3+]CCc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001243662336 823479018 /nfs/dbraw/zinc/47/90/18/823479018.db2.gz LINAGJDPQZFNAA-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C)c1 ZINC001239809498 820624854 /nfs/dbraw/zinc/62/48/54/820624854.db2.gz HEXUXUUKAJDBOK-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP c1cn2ccc(-c3cncc(C[NH+]4CCCCC4)c3)cc2[nH+]1 ZINC001240512707 821108397 /nfs/dbraw/zinc/10/83/97/821108397.db2.gz YDTZOIOLDWJUSF-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP C[NH+](C)Cc1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001240518339 821115657 /nfs/dbraw/zinc/11/56/57/821115657.db2.gz NXUHCTBMQKAQED-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP Cc1cc(-c2ccccc2Cn2cc[nH+]c2N)cc(C)[nH+]1 ZINC001241995155 822264713 /nfs/dbraw/zinc/26/47/13/822264713.db2.gz OAWKLXPMEOKQCP-UHFFFAOYSA-N 2 2 278.359 3.192 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001349636223 936955394 /nfs/dbraw/zinc/95/53/94/936955394.db2.gz HHPQOIPUWCDBMJ-PKOBYXMFSA-N 2 2 295.430 3.364 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001349636223 936955395 /nfs/dbraw/zinc/95/53/95/936955395.db2.gz HHPQOIPUWCDBMJ-PKOBYXMFSA-N 2 2 295.430 3.364 20 0 CGADLP COc1cc(F)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001231609021 927543282 /nfs/dbraw/zinc/54/32/82/927543282.db2.gz UCLTWKRTFMWUSP-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cc(F)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001231609021 927543295 /nfs/dbraw/zinc/54/32/95/927543295.db2.gz UCLTWKRTFMWUSP-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001172830453 928225873 /nfs/dbraw/zinc/22/58/73/928225873.db2.gz JBTPBLMQEFXQRJ-ROUUACIJSA-N 2 2 284.447 3.069 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001172830453 928225883 /nfs/dbraw/zinc/22/58/83/928225883.db2.gz JBTPBLMQEFXQRJ-ROUUACIJSA-N 2 2 284.447 3.069 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H](C)C1 ZINC001319382034 928464015 /nfs/dbraw/zinc/46/40/15/928464015.db2.gz CQXZTVXZUWBAHP-SMDDNHRTSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H](C)C1 ZINC001319382034 928464020 /nfs/dbraw/zinc/46/40/20/928464020.db2.gz CQXZTVXZUWBAHP-SMDDNHRTSA-N 2 2 284.806 3.299 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)C1 ZINC001460960243 937556294 /nfs/dbraw/zinc/55/62/94/937556294.db2.gz RCWHLLNIHGRTNF-CABCVRRESA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166420 933063532 /nfs/dbraw/zinc/06/35/32/933063532.db2.gz XDKIAWWOVZZYOX-CABCVRRESA-N 2 2 293.455 3.243 20 0 CGADLP CC[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166420 933063530 /nfs/dbraw/zinc/06/35/30/933063530.db2.gz XDKIAWWOVZZYOX-CABCVRRESA-N 2 2 293.455 3.243 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001462666509 937657657 /nfs/dbraw/zinc/65/76/57/937657657.db2.gz LIHMJTMYPRNYPE-UHFFFAOYSA-N 2 2 294.402 3.281 20 0 CGADLP COc1cc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC001462664591 937657787 /nfs/dbraw/zinc/65/77/87/937657787.db2.gz INBLCCFMSBJHEQ-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP COc1cc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC001462664591 937657789 /nfs/dbraw/zinc/65/77/89/937657789.db2.gz INBLCCFMSBJHEQ-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001308548442 933129057 /nfs/dbraw/zinc/12/90/57/933129057.db2.gz SXHAVRFHZOOXRJ-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001308548442 933129060 /nfs/dbraw/zinc/12/90/60/933129060.db2.gz SXHAVRFHZOOXRJ-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001308739046 933167570 /nfs/dbraw/zinc/16/75/70/933167570.db2.gz YKKPBBJHYCSRMB-KRWDZBQOSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001308739046 933167575 /nfs/dbraw/zinc/16/75/75/933167575.db2.gz YKKPBBJHYCSRMB-KRWDZBQOSA-N 2 2 274.452 3.248 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001308741011 933168597 /nfs/dbraw/zinc/16/85/97/933168597.db2.gz FSMAZSXEPPAWTO-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC001308741011 933168599 /nfs/dbraw/zinc/16/85/99/933168599.db2.gz FSMAZSXEPPAWTO-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974555 933218028 /nfs/dbraw/zinc/21/80/28/933218028.db2.gz IXNIJMURCLCVLT-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974555 933218033 /nfs/dbraw/zinc/21/80/33/933218033.db2.gz IXNIJMURCLCVLT-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP c1cc2c(nc[nH+]c2Nc2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC001318274661 933703071 /nfs/dbraw/zinc/70/30/71/933703071.db2.gz UBPDDBCETOJFBQ-UHFFFAOYSA-N 2 2 293.374 3.297 20 0 CGADLP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]c2ccccc12 ZINC001322045437 934233138 /nfs/dbraw/zinc/23/31/38/934233138.db2.gz PQNBSOXAFRKSJH-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]c2ccccc12 ZINC001322045437 934233141 /nfs/dbraw/zinc/23/31/41/934233141.db2.gz PQNBSOXAFRKSJH-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(C)C ZINC001473562843 937811439 /nfs/dbraw/zinc/81/14/39/937811439.db2.gz UKBDQAUATKMWMS-QXSJWSMHSA-N 2 2 266.473 3.379 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(C)C ZINC001473562843 937811441 /nfs/dbraw/zinc/81/14/41/937811441.db2.gz UKBDQAUATKMWMS-QXSJWSMHSA-N 2 2 266.473 3.379 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccn2C2CC2)C1 ZINC001327945250 935099690 /nfs/dbraw/zinc/09/96/90/935099690.db2.gz JITOLUHKPLGSSD-HNNXBMFYSA-N 2 2 298.434 3.011 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccn2C2CC2)C1 ZINC001327945250 935099697 /nfs/dbraw/zinc/09/96/97/935099697.db2.gz JITOLUHKPLGSSD-HNNXBMFYSA-N 2 2 298.434 3.011 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126540 936086187 /nfs/dbraw/zinc/08/61/87/936086187.db2.gz RLLRYAFJDUJIJW-HUUCEWRRSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC001334126540 936086191 /nfs/dbraw/zinc/08/61/91/936086191.db2.gz RLLRYAFJDUJIJW-HUUCEWRRSA-N 2 2 286.423 3.091 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001334708159 936109008 /nfs/dbraw/zinc/10/90/08/936109008.db2.gz PAAZGSKHTIZDKG-GLZXHMCRSA-N 2 2 281.403 3.028 20 0 CGADLP CCCn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c(C)n2C ZINC001474051448 937837929 /nfs/dbraw/zinc/83/79/29/937837929.db2.gz CXHLZGAWCPUDQO-UHFFFAOYSA-N 2 2 283.379 3.100 20 0 CGADLP Oc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001474247105 937846121 /nfs/dbraw/zinc/84/61/21/937846121.db2.gz QTBVNYFSHIUDCI-GOSISDBHSA-N 2 2 293.370 3.120 20 0 CGADLP Clc1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001474605033 937869812 /nfs/dbraw/zinc/86/98/12/937869812.db2.gz RHFGSWRSKYSTRF-DLBZAZTESA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001474605033 937869814 /nfs/dbraw/zinc/86/98/14/937869814.db2.gz RHFGSWRSKYSTRF-DLBZAZTESA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474745567 937878326 /nfs/dbraw/zinc/87/83/26/937878326.db2.gz SCJHZKPPCPYGAY-HUUCEWRRSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474745567 937878327 /nfs/dbraw/zinc/87/83/27/937878327.db2.gz SCJHZKPPCPYGAY-HUUCEWRRSA-N 2 2 252.446 3.134 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccccc1)c1ccncc1 ZINC001549336667 938156487 /nfs/dbraw/zinc/15/64/87/938156487.db2.gz KBRVYWOBULXGRY-FHWLQOOXSA-N 2 2 295.430 3.268 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001551377822 938180726 /nfs/dbraw/zinc/18/07/26/938180726.db2.gz KRUBKCGUKXYKGD-FGTMMUONSA-N 2 2 282.362 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC(F)(F)CC1 ZINC001551378820 938180766 /nfs/dbraw/zinc/18/07/66/938180766.db2.gz SRFBQZFQNYFDEP-KNXALSJPSA-N 2 2 294.389 3.415 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001552313491 938190998 /nfs/dbraw/zinc/19/09/98/938190998.db2.gz FJJPMYBFMNGVJG-ZOBORPQBSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001552313491 938190999 /nfs/dbraw/zinc/19/09/99/938190999.db2.gz FJJPMYBFMNGVJG-ZOBORPQBSA-N 2 2 290.373 3.324 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2cscc2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001553026204 938196039 /nfs/dbraw/zinc/19/60/39/938196039.db2.gz VFFQZSIVLFLCCC-CYZMBNFOSA-N 2 2 284.856 3.268 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044162 938242463 /nfs/dbraw/zinc/24/24/63/938242463.db2.gz WTVXGWHIDHXXKZ-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044162 938242464 /nfs/dbraw/zinc/24/24/64/938242464.db2.gz WTVXGWHIDHXXKZ-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560044162 938242465 /nfs/dbraw/zinc/24/24/65/938242465.db2.gz WTVXGWHIDHXXKZ-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560044162 938242466 /nfs/dbraw/zinc/24/24/66/938242466.db2.gz WTVXGWHIDHXXKZ-XYPHTWIQSA-N 2 2 276.399 3.160 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560181286 938246492 /nfs/dbraw/zinc/24/64/92/938246492.db2.gz NTUPKGFKEWMCQM-GOSISDBHSA-N 2 2 297.446 3.478 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560181286 938246493 /nfs/dbraw/zinc/24/64/93/938246493.db2.gz NTUPKGFKEWMCQM-GOSISDBHSA-N 2 2 297.446 3.478 20 0 CGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001560351768 938254454 /nfs/dbraw/zinc/25/44/54/938254454.db2.gz NJKGKXGHVUURLF-INIZCTEOSA-N 2 2 287.407 3.023 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560530996 938261782 /nfs/dbraw/zinc/26/17/82/938261782.db2.gz QNUXGRFZYTZKEY-ZWKOTPCHSA-N 2 2 286.463 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560530996 938261783 /nfs/dbraw/zinc/26/17/83/938261783.db2.gz QNUXGRFZYTZKEY-ZWKOTPCHSA-N 2 2 286.463 3.396 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC001561035971 938290973 /nfs/dbraw/zinc/29/09/73/938290973.db2.gz OCPQEDUZSQZJMC-PESDSKBTSA-N 2 2 294.389 3.285 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC001561035971 938290975 /nfs/dbraw/zinc/29/09/75/938290975.db2.gz OCPQEDUZSQZJMC-PESDSKBTSA-N 2 2 294.389 3.285 20 0 CGADLP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001575499560 962379856 /nfs/dbraw/zinc/37/98/56/962379856.db2.gz ULEINLLJUNKHTC-MWQQHZPXSA-N 2 2 258.409 3.025 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001575864187 962423877 /nfs/dbraw/zinc/42/38/77/962423877.db2.gz TVEBWERQSBTXOM-INIZCTEOSA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@H](OCC[N@H+](CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184717 962513883 /nfs/dbraw/zinc/51/38/83/962513883.db2.gz OQFAFHFHHUMVJL-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@H](OCC[N@@H+](CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184717 962513893 /nfs/dbraw/zinc/51/38/93/962513893.db2.gz OQFAFHFHHUMVJL-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(COc2ccccc2)c1 ZINC001577721059 962569730 /nfs/dbraw/zinc/56/97/30/962569730.db2.gz QLFFUJUVGFBJDN-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(COc2ccccc2)c1 ZINC001577721059 962569748 /nfs/dbraw/zinc/56/97/48/962569748.db2.gz QLFFUJUVGFBJDN-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCCC[C@H]([NH3+])C3)cc2c1 ZINC001579257338 962619683 /nfs/dbraw/zinc/61/96/83/962619683.db2.gz CBVSPSRGPQDLRN-AWEZNQCLSA-N 2 2 288.391 3.145 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCCC[C@H]([NH3+])C3)cc2c1 ZINC001579257338 962619699 /nfs/dbraw/zinc/61/96/99/962619699.db2.gz CBVSPSRGPQDLRN-AWEZNQCLSA-N 2 2 288.391 3.145 20 0 CGADLP Cc1cccc(C)c1C[N@H+](C)C[C@H]([NH3+])CC(F)(F)F ZINC001579754865 962672041 /nfs/dbraw/zinc/67/20/41/962672041.db2.gz LRYILHMPARZFOQ-GFCCVEGCSA-N 2 2 274.330 3.015 20 0 CGADLP Cc1cccc(C)c1C[N@@H+](C)C[C@H]([NH3+])CC(F)(F)F ZINC001579754865 962672057 /nfs/dbraw/zinc/67/20/57/962672057.db2.gz LRYILHMPARZFOQ-GFCCVEGCSA-N 2 2 274.330 3.015 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+]1CCCC[C@H]1C ZINC000337407175 214060157 /nfs/dbraw/zinc/06/01/57/214060157.db2.gz UUJANRRUBUECBD-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@H]1C ZINC000337407175 214060159 /nfs/dbraw/zinc/06/01/59/214060159.db2.gz UUJANRRUBUECBD-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124491562 187140248 /nfs/dbraw/zinc/14/02/48/187140248.db2.gz GLDXTZJQZOVHDZ-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651225544 398218311 /nfs/dbraw/zinc/21/83/11/398218311.db2.gz MMRBHSXWBWICAY-SJORKVTESA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651225544 398218315 /nfs/dbraw/zinc/21/83/15/398218315.db2.gz MMRBHSXWBWICAY-SJORKVTESA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000337512202 214132597 /nfs/dbraw/zinc/13/25/97/214132597.db2.gz JQTAMYJNVRFGMQ-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000337512202 214132598 /nfs/dbraw/zinc/13/25/98/214132598.db2.gz JQTAMYJNVRFGMQ-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000337565627 214160272 /nfs/dbraw/zinc/16/02/72/214160272.db2.gz YBFVQPNBEDQXRM-LBPRGKRZSA-N 2 2 298.377 3.075 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)c[nH+]1 ZINC000337552710 214154886 /nfs/dbraw/zinc/15/48/86/214154886.db2.gz STUVSNFKDALPQJ-ZIAGYGMSSA-N 2 2 284.350 3.073 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cnccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000651650431 398262466 /nfs/dbraw/zinc/26/24/66/398262466.db2.gz NCEYDWBYYNFEBO-BBRMVZONSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3cnccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000651650431 398262467 /nfs/dbraw/zinc/26/24/67/398262467.db2.gz NCEYDWBYYNFEBO-BBRMVZONSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651675908 398267500 /nfs/dbraw/zinc/26/75/00/398267500.db2.gz IGHCWCHGZNOWEE-GDBMZVCRSA-N 2 2 275.440 3.320 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781976 349585438 /nfs/dbraw/zinc/58/54/38/349585438.db2.gz KRVYTIGOVJEUAI-TYNCELHUSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781976 349585443 /nfs/dbraw/zinc/58/54/43/349585443.db2.gz KRVYTIGOVJEUAI-TYNCELHUSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781805 349585493 /nfs/dbraw/zinc/58/54/93/349585493.db2.gz IVAFDHSBGBILPV-OSAQELSMSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781805 349585496 /nfs/dbraw/zinc/58/54/96/349585496.db2.gz IVAFDHSBGBILPV-OSAQELSMSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651736170 398278688 /nfs/dbraw/zinc/27/86/88/398278688.db2.gz PCTZIIWJMWMWII-SYAUCNOPSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651736170 398278689 /nfs/dbraw/zinc/27/86/89/398278689.db2.gz PCTZIIWJMWMWII-SYAUCNOPSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651736167 398278795 /nfs/dbraw/zinc/27/87/95/398278795.db2.gz PCTZIIWJMWMWII-DMRZNYOFSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651736167 398278799 /nfs/dbraw/zinc/27/87/99/398278799.db2.gz PCTZIIWJMWMWII-DMRZNYOFSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000651759839 398283651 /nfs/dbraw/zinc/28/36/51/398283651.db2.gz DTCAPGFVFUQDIS-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000337999293 214353710 /nfs/dbraw/zinc/35/37/10/214353710.db2.gz OTZNLYQOFJCTPK-CABCVRRESA-N 2 2 259.397 3.052 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423478426 529453329 /nfs/dbraw/zinc/45/33/29/529453329.db2.gz UOICWOBDVSKKIQ-WPRPVWTQSA-N 2 2 292.757 3.329 20 0 CGADLP Cc1ncccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000590880669 346882741 /nfs/dbraw/zinc/88/27/41/346882741.db2.gz KZRLTOQYHKENCE-CQSZACIVSA-N 2 2 292.386 3.427 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423486593 529501354 /nfs/dbraw/zinc/50/13/54/529501354.db2.gz ZPKDNYAQZUNRNC-RYUDHWBXSA-N 2 2 260.381 3.383 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1C ZINC000414065147 529596452 /nfs/dbraw/zinc/59/64/52/529596452.db2.gz FOMOBWRMHYNWOE-ZNMIVQPWSA-N 2 2 261.413 3.298 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cncs1 ZINC000423516498 529616985 /nfs/dbraw/zinc/61/69/85/529616985.db2.gz XVUIDOBFVVUZMM-SMDDNHRTSA-N 2 2 275.421 3.056 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccncc1F ZINC000423517444 529617305 /nfs/dbraw/zinc/61/73/05/529617305.db2.gz YTYGAIPDBNPDOE-SJKOYZFVSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1F ZINC000423356636 529661434 /nfs/dbraw/zinc/66/14/34/529661434.db2.gz GZHFKFQWXWOGBL-WKPIXPDZSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1F ZINC000423515319 529668888 /nfs/dbraw/zinc/66/88/88/529668888.db2.gz XJPQFYUAOZMJQO-JKSUJKDBSA-N 2 2 264.388 3.384 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(F)cc1F ZINC000423271550 529668906 /nfs/dbraw/zinc/66/89/06/529668906.db2.gz XYIXIHBYNBUTDR-WFASDCNBSA-N 2 2 270.367 3.379 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000427867493 529673179 /nfs/dbraw/zinc/67/31/79/529673179.db2.gz RVPYVRMLYZBIMR-WFASDCNBSA-N 2 2 291.345 3.217 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)CC1(C)C ZINC000623425080 349804438 /nfs/dbraw/zinc/80/44/38/349804438.db2.gz QCNFDKCSAXOQBR-ZDUSSCGKSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)CC1(C)C ZINC000623425080 349804447 /nfs/dbraw/zinc/80/44/47/349804447.db2.gz QCNFDKCSAXOQBR-ZDUSSCGKSA-N 2 2 276.399 3.277 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000591708619 346934007 /nfs/dbraw/zinc/93/40/07/346934007.db2.gz FVQPSJFHFUGAOT-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000591708619 346934010 /nfs/dbraw/zinc/93/40/10/346934010.db2.gz FVQPSJFHFUGAOT-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427863828 529707731 /nfs/dbraw/zinc/70/77/31/529707731.db2.gz ZPNKGZUYISKHPW-CJNGLKHVSA-N 2 2 269.392 3.111 20 0 CGADLP CC(C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000133048791 136389962 /nfs/dbraw/zinc/38/99/62/136389962.db2.gz WLPFTVFKVYWHBI-UHFFFAOYSA-N 2 2 279.403 3.176 20 0 CGADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486798 349818152 /nfs/dbraw/zinc/81/81/52/349818152.db2.gz IWYTUWJCEIJQAK-CABCVRRESA-N 2 2 294.439 3.128 20 0 CGADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486798 349818154 /nfs/dbraw/zinc/81/81/54/349818154.db2.gz IWYTUWJCEIJQAK-CABCVRRESA-N 2 2 294.439 3.128 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@@H+]1C1CC1 ZINC000623787338 349884258 /nfs/dbraw/zinc/88/42/58/349884258.db2.gz IVVNZDCIEJFFDY-NEPJUHHUSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@H+]1C1CC1 ZINC000623787338 349884262 /nfs/dbraw/zinc/88/42/62/349884262.db2.gz IVVNZDCIEJFFDY-NEPJUHHUSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CCCCO1 ZINC000623874295 349901800 /nfs/dbraw/zinc/90/18/00/349901800.db2.gz FHTGAEKURACBMU-CZUORRHYSA-N 2 2 287.407 3.043 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000351606019 219143261 /nfs/dbraw/zinc/14/32/61/219143261.db2.gz ANPFRHAJYMDXKX-QZTJIDSGSA-N 2 2 270.420 3.138 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000351606019 219143264 /nfs/dbraw/zinc/14/32/64/219143264.db2.gz ANPFRHAJYMDXKX-QZTJIDSGSA-N 2 2 270.420 3.138 20 0 CGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128239008 187359431 /nfs/dbraw/zinc/35/94/31/187359431.db2.gz ACAADEBNUPPFEN-KGLIPLIRSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128239008 187359430 /nfs/dbraw/zinc/35/94/30/187359430.db2.gz ACAADEBNUPPFEN-KGLIPLIRSA-N 2 2 284.325 3.032 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037118795 344947465 /nfs/dbraw/zinc/94/74/65/344947465.db2.gz BIGASBBDRODJFS-AWEZNQCLSA-N 2 2 276.424 3.219 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080933466 345690019 /nfs/dbraw/zinc/69/00/19/345690019.db2.gz KKJXTKBBCFCYEX-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080933466 345690020 /nfs/dbraw/zinc/69/00/20/345690020.db2.gz KKJXTKBBCFCYEX-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP CCCc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000083429122 345725863 /nfs/dbraw/zinc/72/58/63/345725863.db2.gz GUKOAZKEGVPLOG-UHFFFAOYSA-N 2 2 257.381 3.016 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000090047733 345779418 /nfs/dbraw/zinc/77/94/18/345779418.db2.gz FUXFZLNBVYGEJY-WMZOPIPTSA-N 2 2 290.451 3.147 20 0 CGADLP CS[C@@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193383 345785376 /nfs/dbraw/zinc/78/53/76/345785376.db2.gz LTFHOIQZACVIAQ-HOCLYGCPSA-N 2 2 292.492 3.381 20 0 CGADLP CS[C@@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193383 345785381 /nfs/dbraw/zinc/78/53/81/345785381.db2.gz LTFHOIQZACVIAQ-HOCLYGCPSA-N 2 2 292.492 3.381 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253488 345833620 /nfs/dbraw/zinc/83/36/20/345833620.db2.gz IWTBPYGPSPUARA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253488 345833623 /nfs/dbraw/zinc/83/36/23/345833623.db2.gz IWTBPYGPSPUARA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253488 345833625 /nfs/dbraw/zinc/83/36/25/345833625.db2.gz IWTBPYGPSPUARA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253488 345833629 /nfs/dbraw/zinc/83/36/29/345833629.db2.gz IWTBPYGPSPUARA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865696 345890997 /nfs/dbraw/zinc/89/09/97/345890997.db2.gz IIFQRJQJSIPQCH-INIZCTEOSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865696 345890998 /nfs/dbraw/zinc/89/09/98/345890998.db2.gz IIFQRJQJSIPQCH-INIZCTEOSA-N 2 2 290.313 3.013 20 0 CGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865668 345891027 /nfs/dbraw/zinc/89/10/27/345891027.db2.gz KGJXMBVESFCFTN-GOSISDBHSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865668 345891028 /nfs/dbraw/zinc/89/10/28/345891028.db2.gz KGJXMBVESFCFTN-GOSISDBHSA-N 2 2 298.386 3.134 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000093116469 345869989 /nfs/dbraw/zinc/86/99/89/345869989.db2.gz SLYRNLBNGFXPCE-XLWVJDPXSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000093116469 345869991 /nfs/dbraw/zinc/86/99/91/345869991.db2.gz SLYRNLBNGFXPCE-XLWVJDPXSA-N 2 2 288.410 3.418 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639625 345884344 /nfs/dbraw/zinc/88/43/44/345884344.db2.gz TYSPPPOTOCNGLY-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639625 345884346 /nfs/dbraw/zinc/88/43/46/345884346.db2.gz TYSPPPOTOCNGLY-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639625 345884349 /nfs/dbraw/zinc/88/43/49/345884349.db2.gz TYSPPPOTOCNGLY-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639625 345884352 /nfs/dbraw/zinc/88/43/52/345884352.db2.gz TYSPPPOTOCNGLY-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125303721 346016460 /nfs/dbraw/zinc/01/64/60/346016460.db2.gz ODGSBHRFFFMNPO-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125303721 346016463 /nfs/dbraw/zinc/01/64/63/346016463.db2.gz ODGSBHRFFFMNPO-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000134783125 346084140 /nfs/dbraw/zinc/08/41/40/346084140.db2.gz WKSPDEVBBBOQKM-CYBMUJFWSA-N 2 2 296.842 3.169 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000134783125 346084143 /nfs/dbraw/zinc/08/41/43/346084143.db2.gz WKSPDEVBBBOQKM-CYBMUJFWSA-N 2 2 296.842 3.169 20 0 CGADLP C[NH+](C)[C@]1(CNc2[nH+]ccc3ccccc32)CCSC1 ZINC000624020748 349948360 /nfs/dbraw/zinc/94/83/60/349948360.db2.gz VSRBCHUMLZFDDI-INIZCTEOSA-N 2 2 287.432 3.084 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000584713389 346709067 /nfs/dbraw/zinc/70/90/67/346709067.db2.gz YBILLCABAQDYSO-CHWSQXEVSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000584713389 346709069 /nfs/dbraw/zinc/70/90/69/346709069.db2.gz YBILLCABAQDYSO-CHWSQXEVSA-N 2 2 278.362 3.326 20 0 CGADLP COCC1(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000584590110 346685951 /nfs/dbraw/zinc/68/59/51/346685951.db2.gz LRKQCQJVGGTMFD-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339265711 215052002 /nfs/dbraw/zinc/05/20/02/215052002.db2.gz UDVYNYMLEANJKS-HNNXBMFYSA-N 2 2 299.418 3.298 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594746367 347215878 /nfs/dbraw/zinc/21/58/78/347215878.db2.gz CVYVEVOWVSOEQE-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594746367 347215881 /nfs/dbraw/zinc/21/58/81/347215881.db2.gz CVYVEVOWVSOEQE-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP CCOC1CC(C[N@@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000351881028 219236776 /nfs/dbraw/zinc/23/67/76/219236776.db2.gz YBSNYZHIVGUERT-IBRUTMJSSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[N@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000351881028 219236779 /nfs/dbraw/zinc/23/67/79/219236779.db2.gz YBSNYZHIVGUERT-IBRUTMJSSA-N 2 2 294.483 3.139 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000339410059 215155681 /nfs/dbraw/zinc/15/56/81/215155681.db2.gz PEJYXHQHRWMZFF-GFCCVEGCSA-N 2 2 295.427 3.241 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000339410059 215155683 /nfs/dbraw/zinc/15/56/83/215155683.db2.gz PEJYXHQHRWMZFF-GFCCVEGCSA-N 2 2 295.427 3.241 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611032539 348418858 /nfs/dbraw/zinc/41/88/58/348418858.db2.gz DAWMJSYMKUFNBA-OAHLLOKOSA-N 2 2 281.469 3.299 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611032539 348418860 /nfs/dbraw/zinc/41/88/60/348418860.db2.gz DAWMJSYMKUFNBA-OAHLLOKOSA-N 2 2 281.469 3.299 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587145 215259633 /nfs/dbraw/zinc/25/96/33/215259633.db2.gz HRTZAUPNLKQPRI-ITDKRANNSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587145 215259636 /nfs/dbraw/zinc/25/96/36/215259636.db2.gz HRTZAUPNLKQPRI-ITDKRANNSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587146 215260190 /nfs/dbraw/zinc/26/01/90/215260190.db2.gz HRTZAUPNLKQPRI-NEQJSVFRSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587146 215260192 /nfs/dbraw/zinc/26/01/92/215260192.db2.gz HRTZAUPNLKQPRI-NEQJSVFRSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628203567 350439086 /nfs/dbraw/zinc/43/90/86/350439086.db2.gz NHQZFVCSYDCHCN-ZIAGYGMSSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1c[nH]c(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)[nH+]1 ZINC000628301745 350488628 /nfs/dbraw/zinc/48/86/28/350488628.db2.gz DZYNZFLDAAOGTJ-UHFFFAOYSA-N 2 2 292.471 3.051 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419533 350532394 /nfs/dbraw/zinc/53/23/94/350532394.db2.gz PLTAIOLOKXKKFL-SWLSCSKDSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419533 350532399 /nfs/dbraw/zinc/53/23/99/350532399.db2.gz PLTAIOLOKXKKFL-SWLSCSKDSA-N 2 2 286.410 3.417 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629526484 350702366 /nfs/dbraw/zinc/70/23/66/350702366.db2.gz WFMVZFSWTBKIAV-XOKHGSTOSA-N 2 2 276.424 3.267 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000629526836 350702431 /nfs/dbraw/zinc/70/24/31/350702431.db2.gz ASKRQUKWVPWCEL-ARFHVFGLSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC000629534664 350704915 /nfs/dbraw/zinc/70/49/15/350704915.db2.gz APIQEJHCRKPFCC-ZIAGYGMSSA-N 2 2 278.399 3.487 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)C[NH2+]1 ZINC000629536479 350705719 /nfs/dbraw/zinc/70/57/19/350705719.db2.gz FCRAYIWBDBWQTR-NRWUCQMLSA-N 2 2 264.438 3.417 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000629540024 350706667 /nfs/dbraw/zinc/70/66/67/350706667.db2.gz PPXONHCQSCZDGL-BZPMIXESSA-N 2 2 298.377 3.469 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629540219 350706725 /nfs/dbraw/zinc/70/67/25/350706725.db2.gz UXXLJPMCTUSVPX-GMXVVIOVSA-N 2 2 282.815 3.140 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629540226 350706803 /nfs/dbraw/zinc/70/68/03/350706803.db2.gz UXXLJPMCTUSVPX-GVXVVHGQSA-N 2 2 282.815 3.140 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629540252 350706873 /nfs/dbraw/zinc/70/68/73/350706873.db2.gz VFEFZBXSWRMGIC-RWMBFGLXSA-N 2 2 298.377 3.388 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C(C)C)cc1 ZINC000629542878 350708760 /nfs/dbraw/zinc/70/87/60/350708760.db2.gz OCEJOQUUXPMFHR-FRFSOERESA-N 2 2 276.424 3.122 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC(F)F)cc1 ZINC000629544843 350709209 /nfs/dbraw/zinc/70/92/09/350709209.db2.gz DGBVSRICVBPTOS-LEWSCRJBSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1OC ZINC000629549469 350710981 /nfs/dbraw/zinc/71/09/81/350710981.db2.gz WHIZPHKYAOWBHL-LEWSCRJBSA-N 2 2 282.815 3.140 20 0 CGADLP Cc1ccc(CN2CCCc3cccc(C[NH3+])c32)c(C)[nH+]1 ZINC000629559084 350712662 /nfs/dbraw/zinc/71/26/62/350712662.db2.gz CJHFPPWEBHKTLM-UHFFFAOYSA-N 2 2 281.403 3.110 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000629388398 350686731 /nfs/dbraw/zinc/68/67/31/350686731.db2.gz ODLMZXZEXHZYQX-UONOGXRCSA-N 2 2 298.377 3.135 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000629387901 350686823 /nfs/dbraw/zinc/68/68/23/350686823.db2.gz ILJCDUXGXDALMY-NWDGAFQWSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000629395719 350688632 /nfs/dbraw/zinc/68/86/32/350688632.db2.gz QHYGLNCGQSCULU-ZANVPECISA-N 2 2 273.207 3.224 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000629515017 350700036 /nfs/dbraw/zinc/70/00/36/350700036.db2.gz OXFWCERODOYXCO-SUMWQHHRSA-N 2 2 275.440 3.073 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000629515017 350700039 /nfs/dbraw/zinc/70/00/39/350700039.db2.gz OXFWCERODOYXCO-SUMWQHHRSA-N 2 2 275.440 3.073 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC000629662592 350732794 /nfs/dbraw/zinc/73/27/94/350732794.db2.gz DJHXVKKGQJQJJX-CALCHBBNSA-N 2 2 288.366 3.003 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc3cc(F)ccc3o1)C2 ZINC000629662592 350732795 /nfs/dbraw/zinc/73/27/95/350732795.db2.gz DJHXVKKGQJQJJX-CALCHBBNSA-N 2 2 288.366 3.003 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCOC[C@H]3C)cc2)c1C ZINC000291176883 197943305 /nfs/dbraw/zinc/94/33/05/197943305.db2.gz FEXZANJSYFUWPU-SJKOYZFVSA-N 2 2 285.391 3.326 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000631650324 351106296 /nfs/dbraw/zinc/10/62/96/351106296.db2.gz NMTMXXKEIIRBIE-CRAIPNDOSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000631650324 351106298 /nfs/dbraw/zinc/10/62/98/351106298.db2.gz NMTMXXKEIIRBIE-CRAIPNDOSA-N 2 2 285.435 3.066 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000631586061 351079463 /nfs/dbraw/zinc/07/94/63/351079463.db2.gz DEAQIOPSPKZXOB-KRWDZBQOSA-N 2 2 297.402 3.169 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC000631821002 351148925 /nfs/dbraw/zinc/14/89/25/351148925.db2.gz MGIAYVNGPONESR-UHFFFAOYSA-N 2 2 291.197 3.316 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc(Cl)c1F)C1CC[NH2+]CC1 ZINC000631821002 351148929 /nfs/dbraw/zinc/14/89/29/351148929.db2.gz MGIAYVNGPONESR-UHFFFAOYSA-N 2 2 291.197 3.316 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890231 351152654 /nfs/dbraw/zinc/15/26/54/351152654.db2.gz PZVFTSYCFHBOTE-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890231 351152657 /nfs/dbraw/zinc/15/26/57/351152657.db2.gz PZVFTSYCFHBOTE-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888852 351152975 /nfs/dbraw/zinc/15/29/75/351152975.db2.gz CFBSPOYWYLDYMJ-QWHCGFSZSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888852 351152980 /nfs/dbraw/zinc/15/29/80/351152980.db2.gz CFBSPOYWYLDYMJ-QWHCGFSZSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888853 351152991 /nfs/dbraw/zinc/15/29/91/351152991.db2.gz CFBSPOYWYLDYMJ-STQMWFEESA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000631888853 351152996 /nfs/dbraw/zinc/15/29/96/351152996.db2.gz CFBSPOYWYLDYMJ-STQMWFEESA-N 2 2 293.480 3.015 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678923 351565128 /nfs/dbraw/zinc/56/51/28/351565128.db2.gz HGUZAJJLFFDABE-IAGOWNOFSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000271442523 191138804 /nfs/dbraw/zinc/13/88/04/191138804.db2.gz CNMZKILATOJLLC-LLVKDONJSA-N 2 2 275.421 3.357 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)c1C ZINC000634993035 351619808 /nfs/dbraw/zinc/61/98/08/351619808.db2.gz JHGZMLJWYXYENB-IIIMJFFVSA-N 2 2 270.420 3.192 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)c1C ZINC000634993035 351619810 /nfs/dbraw/zinc/61/98/10/351619810.db2.gz JHGZMLJWYXYENB-IIIMJFFVSA-N 2 2 270.420 3.192 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)s1 ZINC000634997135 351621073 /nfs/dbraw/zinc/62/10/73/351621073.db2.gz DQKRIVKCJQTZQS-ZDUSSCGKSA-N 2 2 281.469 3.045 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCCC[C@H]([NH3+])C2)s1 ZINC000634997135 351621078 /nfs/dbraw/zinc/62/10/78/351621078.db2.gz DQKRIVKCJQTZQS-ZDUSSCGKSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000122282907 187024929 /nfs/dbraw/zinc/02/49/29/187024929.db2.gz HCBBLCLURITFSC-BXUZGUMPSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000122282907 187024930 /nfs/dbraw/zinc/02/49/30/187024930.db2.gz HCBBLCLURITFSC-BXUZGUMPSA-N 2 2 264.800 3.055 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000271548237 191205778 /nfs/dbraw/zinc/20/57/78/191205778.db2.gz UNZHTGZSPOBXKI-KRWDZBQOSA-N 2 2 282.387 3.436 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000365634677 234118955 /nfs/dbraw/zinc/11/89/55/234118955.db2.gz GJUHBFZOYXSMMY-AWEZNQCLSA-N 2 2 289.448 3.478 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000365634677 234118958 /nfs/dbraw/zinc/11/89/58/234118958.db2.gz GJUHBFZOYXSMMY-AWEZNQCLSA-N 2 2 289.448 3.478 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(C)c1O ZINC000367309107 234204430 /nfs/dbraw/zinc/20/44/30/234204430.db2.gz UFKOLXQPNGTVNH-INIZCTEOSA-N 2 2 285.391 3.043 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(C)c1O ZINC000367309107 234204432 /nfs/dbraw/zinc/20/44/32/234204432.db2.gz UFKOLXQPNGTVNH-INIZCTEOSA-N 2 2 285.391 3.043 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292227833 198209975 /nfs/dbraw/zinc/20/99/75/198209975.db2.gz VNWCPYRIBTYIBW-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292227833 198209977 /nfs/dbraw/zinc/20/99/77/198209977.db2.gz VNWCPYRIBTYIBW-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292227833 198209978 /nfs/dbraw/zinc/20/99/78/198209978.db2.gz VNWCPYRIBTYIBW-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292227833 198209980 /nfs/dbraw/zinc/20/99/80/198209980.db2.gz VNWCPYRIBTYIBW-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368099581 234280817 /nfs/dbraw/zinc/28/08/17/234280817.db2.gz GFKJXPBKTRMDEI-FCEWJHQRSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368099581 234280821 /nfs/dbraw/zinc/28/08/21/234280821.db2.gz GFKJXPBKTRMDEI-FCEWJHQRSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000152513492 188025323 /nfs/dbraw/zinc/02/53/23/188025323.db2.gz RRXGNWJBOLFASS-GJYPPUQNSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000152513492 188025324 /nfs/dbraw/zinc/02/53/24/188025324.db2.gz RRXGNWJBOLFASS-GJYPPUQNSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCC2 ZINC000368103670 234283831 /nfs/dbraw/zinc/28/38/31/234283831.db2.gz XUEXPHFQBVVKSL-WBMJQRKESA-N 2 2 281.403 3.107 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000368103670 234283833 /nfs/dbraw/zinc/28/38/33/234283833.db2.gz XUEXPHFQBVVKSL-WBMJQRKESA-N 2 2 281.403 3.107 20 0 CGADLP c1cn(CC[N@H+]2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)c[nH+]1 ZINC000368508533 234316399 /nfs/dbraw/zinc/31/63/99/234316399.db2.gz SYQMPZLJTUKNSU-YQQQUEKLSA-N 2 2 295.430 3.369 20 0 CGADLP c1cn(CC[N@@H+]2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)c[nH+]1 ZINC000368508533 234316403 /nfs/dbraw/zinc/31/64/03/234316403.db2.gz SYQMPZLJTUKNSU-YQQQUEKLSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621039 188154339 /nfs/dbraw/zinc/15/43/39/188154339.db2.gz ZVBXCAYNHJNEBA-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621039 188154340 /nfs/dbraw/zinc/15/43/40/188154340.db2.gz ZVBXCAYNHJNEBA-AAEUAGOBSA-N 2 2 284.350 3.033 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000295165831 199382728 /nfs/dbraw/zinc/38/27/28/199382728.db2.gz SSHWUVWXLWPYNS-IRXDYDNUSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000295165831 199382730 /nfs/dbraw/zinc/38/27/30/199382730.db2.gz SSHWUVWXLWPYNS-IRXDYDNUSA-N 2 2 288.410 3.420 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)s1 ZINC000154524373 188147715 /nfs/dbraw/zinc/14/77/15/188147715.db2.gz VRZYBUSISCNOKK-DGCLKSJQSA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)s1 ZINC000154524373 188147717 /nfs/dbraw/zinc/14/77/17/188147717.db2.gz VRZYBUSISCNOKK-DGCLKSJQSA-N 2 2 252.427 3.110 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484615374 535244796 /nfs/dbraw/zinc/24/47/96/535244796.db2.gz HRZYPSKQCDXFSD-DOTOQJQBSA-N 2 2 290.451 3.356 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484615374 535244800 /nfs/dbraw/zinc/24/48/00/535244800.db2.gz HRZYPSKQCDXFSD-DOTOQJQBSA-N 2 2 290.451 3.356 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447595885 283019874 /nfs/dbraw/zinc/01/98/74/283019874.db2.gz AZVQBCZDWOQLSY-KDOFPFPSSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447595885 283019875 /nfs/dbraw/zinc/01/98/75/283019875.db2.gz AZVQBCZDWOQLSY-KDOFPFPSSA-N 2 2 288.410 3.420 20 0 CGADLP c1cn(CCCC2CC[NH+](CCc3ccccn3)CC2)c[nH+]1 ZINC000411500113 235062062 /nfs/dbraw/zinc/06/20/62/235062062.db2.gz FGRPKQULJADFGL-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414840981 235478633 /nfs/dbraw/zinc/47/86/33/235478633.db2.gz XMSNNCNJUIINTA-AAEUAGOBSA-N 2 2 274.330 3.397 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314408 235621484 /nfs/dbraw/zinc/62/14/84/235621484.db2.gz RENZSGMPRLHURX-RJZRQDKASA-N 2 2 276.449 3.066 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314408 235621486 /nfs/dbraw/zinc/62/14/86/235621486.db2.gz RENZSGMPRLHURX-RJZRQDKASA-N 2 2 276.449 3.066 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(F)c1F ZINC000336332409 213179151 /nfs/dbraw/zinc/17/91/51/213179151.db2.gz CLCFZEPWIKKKOX-NSHDSACASA-N 2 2 295.308 3.207 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(F)c1F ZINC000336332409 213179153 /nfs/dbraw/zinc/17/91/53/213179153.db2.gz CLCFZEPWIKKKOX-NSHDSACASA-N 2 2 295.308 3.207 20 0 CGADLP CC1(C)CC([NH2+]CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000124746921 138377557 /nfs/dbraw/zinc/37/75/57/138377557.db2.gz AKJSCYHCUZZTHV-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH2+]CCc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126169553 138385129 /nfs/dbraw/zinc/38/51/29/138385129.db2.gz KANNKJZOWFWRGX-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2s1 ZINC000423197165 235992825 /nfs/dbraw/zinc/99/28/25/235992825.db2.gz YFQZODILRWAKBZ-WCQYABFASA-N 2 2 260.406 3.304 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000423236546 236005914 /nfs/dbraw/zinc/00/59/14/236005914.db2.gz HPNAVZOFZRQIAC-HZPDHXFCSA-N 2 2 288.341 3.242 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000423252950 236009365 /nfs/dbraw/zinc/00/93/65/236009365.db2.gz YIHRMVAJXMCWRD-GJZGRUSLSA-N 2 2 272.417 3.415 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000423312573 236035028 /nfs/dbraw/zinc/03/50/28/236035028.db2.gz DNTIAFRYTQVBKS-ROUUACIJSA-N 2 2 284.378 3.242 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423328430 236040381 /nfs/dbraw/zinc/04/03/81/236040381.db2.gz OAZHGSYZSOYDRL-RKDXNWHRSA-N 2 2 252.745 3.084 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)oc1C ZINC000423507182 236089669 /nfs/dbraw/zinc/08/96/69/236089669.db2.gz PTLJYCORPYRHAC-SMDDNHRTSA-N 2 2 250.386 3.065 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000423530080 236093578 /nfs/dbraw/zinc/09/35/78/236093578.db2.gz PESYZFIPZRTXHG-DOPJRALCSA-N 2 2 284.378 3.232 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c2ccccc21 ZINC000424377765 236159041 /nfs/dbraw/zinc/15/90/41/236159041.db2.gz RUFDRAYGHNZRSP-XMTFNYHQSA-N 2 2 282.362 3.358 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424333087 236152505 /nfs/dbraw/zinc/15/25/05/236152505.db2.gz XJKMJNGXZMIKRJ-SWLSCSKDSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000183950775 299279957 /nfs/dbraw/zinc/27/99/57/299279957.db2.gz VCFBUETUGIULSQ-ZDUSSCGKSA-N 2 2 250.386 3.052 20 0 CGADLP CCN(CC)c1ccc(CNc2cc[nH+]c(C)c2)c[nH+]1 ZINC000274806611 192785394 /nfs/dbraw/zinc/78/53/94/192785394.db2.gz LQVMIQCRCJTXFN-UHFFFAOYSA-N 2 2 270.380 3.243 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC=C(C)C1 ZINC000436269386 237062949 /nfs/dbraw/zinc/06/29/49/237062949.db2.gz YGZLHQMGDRKUIB-UHFFFAOYSA-N 2 2 267.376 3.333 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC=C(C)C1 ZINC000436269386 237062955 /nfs/dbraw/zinc/06/29/55/237062955.db2.gz YGZLHQMGDRKUIB-UHFFFAOYSA-N 2 2 267.376 3.333 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@@H]1c1ccccc1 ZINC000437104326 237252566 /nfs/dbraw/zinc/25/25/66/237252566.db2.gz DWVNZQGSNLMQJZ-XIRDDKMYSA-N 2 2 272.436 3.253 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000341679882 216064076 /nfs/dbraw/zinc/06/40/76/216064076.db2.gz CHTYUVABKOFWGK-GFCCVEGCSA-N 2 2 281.469 3.401 20 0 CGADLP COc1cccc([C@@H](C[NH2+][C@H](C)C2CC2)[NH+]2CCCC2)c1 ZINC000177181740 189034955 /nfs/dbraw/zinc/03/49/55/189034955.db2.gz AHYVGLAQZHMMKP-RDTXWAMCSA-N 2 2 288.435 3.220 20 0 CGADLP COc1ccc([C@H](C[NH2+][C@H](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000177184104 189035166 /nfs/dbraw/zinc/03/51/66/189035166.db2.gz DMHKIWSBFJVOPP-KDOFPFPSSA-N 2 2 288.435 3.220 20 0 CGADLP Cc1cccc(C(C)(C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000179672728 189212391 /nfs/dbraw/zinc/21/23/91/189212391.db2.gz MAACVBWCJICYIQ-UHFFFAOYSA-N 2 2 257.381 3.107 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000179638313 189209232 /nfs/dbraw/zinc/20/92/32/189209232.db2.gz MYWHZGNWJORWIN-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000179638313 189209233 /nfs/dbraw/zinc/20/92/33/189209233.db2.gz MYWHZGNWJORWIN-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180271615 189247903 /nfs/dbraw/zinc/24/79/03/189247903.db2.gz MKMARYLKOFAPTC-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180271615 189247904 /nfs/dbraw/zinc/24/79/04/189247904.db2.gz MKMARYLKOFAPTC-RHSMWYFYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](F)C2)n1-c1ccccc1 ZINC000342270144 216284847 /nfs/dbraw/zinc/28/48/47/216284847.db2.gz AIPARNXOGFWCOW-KBPBESRZSA-N 2 2 273.355 3.161 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccc(F)cc21 ZINC000181113440 189289087 /nfs/dbraw/zinc/28/90/87/189289087.db2.gz RDZXRMJONXGSBC-INIZCTEOSA-N 2 2 273.355 3.032 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccc(F)cc21 ZINC000181113440 189289088 /nfs/dbraw/zinc/28/90/88/189289088.db2.gz RDZXRMJONXGSBC-INIZCTEOSA-N 2 2 273.355 3.032 20 0 CGADLP Cc1cccc(CCC[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181207194 189291427 /nfs/dbraw/zinc/29/14/27/189291427.db2.gz IRRCDMPKOCBHQX-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP Cc1cccc(CCC[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181207194 189291428 /nfs/dbraw/zinc/29/14/28/189291428.db2.gz IRRCDMPKOCBHQX-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000301414547 201000232 /nfs/dbraw/zinc/00/02/32/201000232.db2.gz DRPLAOVDVZIJSF-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000301414547 201000235 /nfs/dbraw/zinc/00/02/35/201000235.db2.gz DRPLAOVDVZIJSF-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301462325 201017785 /nfs/dbraw/zinc/01/77/85/201017785.db2.gz FGKZPLHVUMGCKP-OAHLLOKOSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301462325 201017787 /nfs/dbraw/zinc/01/77/87/201017787.db2.gz FGKZPLHVUMGCKP-OAHLLOKOSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc[nH+]1 ZINC000301463846 201017826 /nfs/dbraw/zinc/01/78/26/201017826.db2.gz GGUKEPDDQBYMHE-CQSZACIVSA-N 2 2 290.798 3.153 20 0 CGADLP C[C@@H]([NH2+]CCCCCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182148552 189315063 /nfs/dbraw/zinc/31/50/63/189315063.db2.gz MIFJIMSHJZODOZ-OAHLLOKOSA-N 2 2 287.407 3.076 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301578143 201077452 /nfs/dbraw/zinc/07/74/52/201077452.db2.gz MVDBMXDVWXWMTQ-UONOGXRCSA-N 2 2 276.428 3.193 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301578142 201078231 /nfs/dbraw/zinc/07/82/31/201078231.db2.gz MVDBMXDVWXWMTQ-KGLIPLIRSA-N 2 2 276.428 3.193 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000301633799 201107196 /nfs/dbraw/zinc/10/71/96/201107196.db2.gz KHVZAMXPCVWRNY-ZDUSSCGKSA-N 2 2 287.432 3.310 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000301633799 201107198 /nfs/dbraw/zinc/10/71/98/201107198.db2.gz KHVZAMXPCVWRNY-ZDUSSCGKSA-N 2 2 287.432 3.310 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342471916 216363053 /nfs/dbraw/zinc/36/30/53/216363053.db2.gz OZDFHBOSADAXHZ-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000342471916 216363056 /nfs/dbraw/zinc/36/30/56/216363056.db2.gz OZDFHBOSADAXHZ-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(C)(C)C)CCC2 ZINC000449166729 239217553 /nfs/dbraw/zinc/21/75/53/239217553.db2.gz FXKMQTBSJOALSJ-JSGCOSHPSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)C[N@@H+]1C1CC1 ZINC000449187647 239231282 /nfs/dbraw/zinc/23/12/82/239231282.db2.gz MQTLIMACYZJUHR-SWLSCSKDSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)C[N@H+]1C1CC1 ZINC000449187647 239231290 /nfs/dbraw/zinc/23/12/90/239231290.db2.gz MQTLIMACYZJUHR-SWLSCSKDSA-N 2 2 270.376 3.148 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CSC[C@@H]1C)[NH+](C)C ZINC000449268557 239281104 /nfs/dbraw/zinc/28/11/04/239281104.db2.gz HSLBOZHVEQGYLP-DIECFANBSA-N 2 2 292.492 3.327 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449272351 239282473 /nfs/dbraw/zinc/28/24/73/239282473.db2.gz VVTXJHFEGSZZAR-DZGCQCFKSA-N 2 2 266.816 3.127 20 0 CGADLP C[N@@H+](CC/C=C/c1ccccc1)CCCn1cc[nH+]c1 ZINC000450637925 240014117 /nfs/dbraw/zinc/01/41/17/240014117.db2.gz RGZQHRCKUFFKFU-BJMVGYQFSA-N 2 2 269.392 3.309 20 0 CGADLP C[N@H+](CC/C=C/c1ccccc1)CCCn1cc[nH+]c1 ZINC000450637925 240014119 /nfs/dbraw/zinc/01/41/19/240014119.db2.gz RGZQHRCKUFFKFU-BJMVGYQFSA-N 2 2 269.392 3.309 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccco1 ZINC000120941909 370814222 /nfs/dbraw/zinc/81/42/22/370814222.db2.gz VANMSEWCKGPGTD-LBPRGKRZSA-N 2 2 276.355 3.331 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000121191507 370837822 /nfs/dbraw/zinc/83/78/22/370837822.db2.gz QGKRDODVLOEOQM-UHFFFAOYSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668784 242171421 /nfs/dbraw/zinc/17/14/21/242171421.db2.gz UAKKSCLTHBLWBC-NSHDSACASA-N 2 2 297.855 3.288 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]CCc2ccc(C(C)(C)C)cc2)c1 ZINC000459674470 242173501 /nfs/dbraw/zinc/17/35/01/242173501.db2.gz ZEJNMWHFAGREMC-UHFFFAOYSA-N 2 2 285.435 3.092 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000480087834 243137186 /nfs/dbraw/zinc/13/71/86/243137186.db2.gz DLSIAZWROZYZRD-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000480087834 243137190 /nfs/dbraw/zinc/13/71/90/243137190.db2.gz DLSIAZWROZYZRD-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000480087833 243137938 /nfs/dbraw/zinc/13/79/38/243137938.db2.gz DLSIAZWROZYZRD-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000480087833 243137942 /nfs/dbraw/zinc/13/79/42/243137942.db2.gz DLSIAZWROZYZRD-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000482536676 243230999 /nfs/dbraw/zinc/23/09/99/243230999.db2.gz MUYMJVYLDLBNQT-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000482536676 243231002 /nfs/dbraw/zinc/23/10/02/243231002.db2.gz MUYMJVYLDLBNQT-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484481194 243313919 /nfs/dbraw/zinc/31/39/19/243313919.db2.gz DERQYTSUISAVJO-HRCADAONSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000486932899 243378840 /nfs/dbraw/zinc/37/88/40/243378840.db2.gz DMVOKUJVIYBXLB-PBHICJAKSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC1(C)C ZINC000486950584 243384931 /nfs/dbraw/zinc/38/49/31/243384931.db2.gz MAKUBYWRNDZFCN-BHYGNILZSA-N 2 2 274.452 3.184 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1Cl ZINC000013734465 368664680 /nfs/dbraw/zinc/66/46/80/368664680.db2.gz MRMZWFVEHIZWSZ-UHFFFAOYSA-N 2 2 254.805 3.162 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125024125 370929243 /nfs/dbraw/zinc/92/92/43/370929243.db2.gz IZXDNHCPDMDREG-FUHWJXTLSA-N 2 2 290.451 3.147 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000488451798 243573777 /nfs/dbraw/zinc/57/37/77/243573777.db2.gz WJHGZNGNDRQWTJ-KFWWJZLASA-N 2 2 286.529 3.473 20 0 CGADLP c1ccc([C@@H](C[NH2+]C2CCCC2)[NH+]2CCCC2)cc1 ZINC000020096434 368802280 /nfs/dbraw/zinc/80/22/80/368802280.db2.gz INCXVCHRHBRGCD-QGZVFWFLSA-N 2 2 258.409 3.356 20 0 CGADLP Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000019929551 368786497 /nfs/dbraw/zinc/78/64/97/368786497.db2.gz RCQLRWOJCVULPM-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000019929551 368786502 /nfs/dbraw/zinc/78/65/02/368786502.db2.gz RCQLRWOJCVULPM-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000034973259 368985549 /nfs/dbraw/zinc/98/55/49/368985549.db2.gz VUURSOHOBLYTNS-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000034973259 368985554 /nfs/dbraw/zinc/98/55/54/368985554.db2.gz VUURSOHOBLYTNS-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037228695 369077010 /nfs/dbraw/zinc/07/70/10/369077010.db2.gz DSCVGUHDFTUEHC-ZWKOTPCHSA-N 2 2 272.436 3.398 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000041119398 369174672 /nfs/dbraw/zinc/17/46/72/369174672.db2.gz CKRHLTKPJORQAE-JTQLQIEISA-N 2 2 267.735 3.026 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000042516937 369223569 /nfs/dbraw/zinc/22/35/69/369223569.db2.gz XXCJJXSFGGEILP-LBPRGKRZSA-N 2 2 252.427 3.086 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000042516937 369223575 /nfs/dbraw/zinc/22/35/75/369223575.db2.gz XXCJJXSFGGEILP-LBPRGKRZSA-N 2 2 252.427 3.086 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000042516938 369223587 /nfs/dbraw/zinc/22/35/87/369223587.db2.gz XXCJJXSFGGEILP-GFCCVEGCSA-N 2 2 252.427 3.086 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000042516938 369223591 /nfs/dbraw/zinc/22/35/91/369223591.db2.gz XXCJJXSFGGEILP-GFCCVEGCSA-N 2 2 252.427 3.086 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684043 369265198 /nfs/dbraw/zinc/26/51/98/369265198.db2.gz OSVHIAHSZBZERM-ZDUSSCGKSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684043 369265201 /nfs/dbraw/zinc/26/52/01/369265201.db2.gz OSVHIAHSZBZERM-ZDUSSCGKSA-N 2 2 284.325 3.032 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685220 369268193 /nfs/dbraw/zinc/26/81/93/369268193.db2.gz HEVHDXNYOZULMU-JSGCOSHPSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685220 369268196 /nfs/dbraw/zinc/26/81/96/369268196.db2.gz HEVHDXNYOZULMU-JSGCOSHPSA-N 2 2 276.449 3.296 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000049538774 369407717 /nfs/dbraw/zinc/40/77/17/369407717.db2.gz RHNOIGJAQQKGAT-IINYFYTJSA-N 2 2 275.421 3.111 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000049574422 369411072 /nfs/dbraw/zinc/41/10/72/369411072.db2.gz JOUDXVQGDRMWBA-GOSISDBHSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000050163976 369430786 /nfs/dbraw/zinc/43/07/86/369430786.db2.gz TXHBWWVTLLZEAU-OCCSQVGLSA-N 2 2 255.365 3.035 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)C[N@@H+]1C1CC1 ZINC000129031735 370972033 /nfs/dbraw/zinc/97/20/33/370972033.db2.gz SZCKZOVPUIAKRF-DVOMOZLQSA-N 2 2 288.460 3.438 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)C[N@H+]1C1CC1 ZINC000129031735 370972036 /nfs/dbraw/zinc/97/20/36/370972036.db2.gz SZCKZOVPUIAKRF-DVOMOZLQSA-N 2 2 288.460 3.438 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000129070566 370973347 /nfs/dbraw/zinc/97/33/47/370973347.db2.gz SLPBKZWZGFTYKD-GVDBMIGSSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129070566 370973350 /nfs/dbraw/zinc/97/33/50/370973350.db2.gz SLPBKZWZGFTYKD-GVDBMIGSSA-N 2 2 274.383 3.029 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc2ccccc21 ZINC000054763647 369506381 /nfs/dbraw/zinc/50/63/81/369506381.db2.gz UMPGQPQDZNXALJ-LBPRGKRZSA-N 2 2 251.333 3.414 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129510679 370990338 /nfs/dbraw/zinc/99/03/38/370990338.db2.gz NYWULHFBTMQZCI-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129510679 370990346 /nfs/dbraw/zinc/99/03/46/370990346.db2.gz NYWULHFBTMQZCI-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000069676938 369766869 /nfs/dbraw/zinc/76/68/69/369766869.db2.gz VHIZZNOAUCVECA-UHFFFAOYSA-N 2 2 282.378 3.175 20 0 CGADLP Cn1cccc1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000072889599 369843829 /nfs/dbraw/zinc/84/38/29/369843829.db2.gz APSGLTDPYLUHHN-HNNXBMFYSA-N 2 2 289.448 3.013 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043656 370089892 /nfs/dbraw/zinc/08/98/92/370089892.db2.gz PUCOMFSYMYRRSU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043656 370089896 /nfs/dbraw/zinc/08/98/96/370089896.db2.gz PUCOMFSYMYRRSU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043656 370089899 /nfs/dbraw/zinc/08/98/99/370089899.db2.gz PUCOMFSYMYRRSU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043656 370089901 /nfs/dbraw/zinc/08/99/01/370089901.db2.gz PUCOMFSYMYRRSU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(F)c1F ZINC000423503084 296153235 /nfs/dbraw/zinc/15/32/35/296153235.db2.gz MLBVVAKKCDTXDB-YGRLFVJLSA-N 2 2 268.351 3.133 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(C)ccc1OC ZINC000093401188 370123463 /nfs/dbraw/zinc/12/34/63/370123463.db2.gz JWOFHDKCEGOFJR-HOCLYGCPSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(C)ccc1OC ZINC000093401188 370123467 /nfs/dbraw/zinc/12/34/67/370123467.db2.gz JWOFHDKCEGOFJR-HOCLYGCPSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1nccs1 ZINC000093401391 370124074 /nfs/dbraw/zinc/12/40/74/370124074.db2.gz KCLCNDUARMNAND-NSHDSACASA-N 2 2 286.404 3.303 20 0 CGADLP COc1ccccc1/C=C/C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644433 370149911 /nfs/dbraw/zinc/14/99/11/370149911.db2.gz BOGDNQRNEAHPAA-FUZMGVLZSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644433 370149914 /nfs/dbraw/zinc/14/99/14/370149914.db2.gz BOGDNQRNEAHPAA-FUZMGVLZSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644433 370149918 /nfs/dbraw/zinc/14/99/18/370149918.db2.gz BOGDNQRNEAHPAA-FUZMGVLZSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644433 370149921 /nfs/dbraw/zinc/14/99/21/370149921.db2.gz BOGDNQRNEAHPAA-FUZMGVLZSA-N 2 2 288.435 3.123 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794631 370365595 /nfs/dbraw/zinc/36/55/95/370365595.db2.gz HVCLISSCDBBIKH-WBVHZDCISA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632012 296157421 /nfs/dbraw/zinc/15/74/21/296157421.db2.gz KYYGFBWJTAFIHD-IIDMSEBBSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632012 296157423 /nfs/dbraw/zinc/15/74/23/296157423.db2.gz KYYGFBWJTAFIHD-IIDMSEBBSA-N 2 2 286.463 3.425 20 0 CGADLP c1cn(-c2ccc(C[NH+](CC3CC3)CC3CC3)cc2)c[nH+]1 ZINC000115564958 370534518 /nfs/dbraw/zinc/53/45/18/370534518.db2.gz OCZTZOAHISTQTN-UHFFFAOYSA-N 2 2 281.403 3.494 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000130167827 371015695 /nfs/dbraw/zinc/01/56/95/371015695.db2.gz UWJSGDXQVAJXBA-OAHLLOKOSA-N 2 2 257.381 3.241 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130792460 371060385 /nfs/dbraw/zinc/06/03/85/371060385.db2.gz GQKVXPRDQYQKNB-DOTOQJQBSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130792460 371060388 /nfs/dbraw/zinc/06/03/88/371060388.db2.gz GQKVXPRDQYQKNB-DOTOQJQBSA-N 2 2 290.451 3.294 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000130982485 371074144 /nfs/dbraw/zinc/07/41/44/371074144.db2.gz KCIQXHKSGZIBGD-GFCCVEGCSA-N 2 2 263.772 3.230 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000130982485 371074146 /nfs/dbraw/zinc/07/41/46/371074146.db2.gz KCIQXHKSGZIBGD-GFCCVEGCSA-N 2 2 263.772 3.230 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564322 371116565 /nfs/dbraw/zinc/11/65/65/371116565.db2.gz KQIPRJWFUGQKQZ-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564322 371116570 /nfs/dbraw/zinc/11/65/70/371116570.db2.gz KQIPRJWFUGQKQZ-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000131729499 371126181 /nfs/dbraw/zinc/12/61/81/371126181.db2.gz YDTCCSRTOUOMQI-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000131729499 371126183 /nfs/dbraw/zinc/12/61/83/371126183.db2.gz YDTCCSRTOUOMQI-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131779798 371128911 /nfs/dbraw/zinc/12/89/11/371128911.db2.gz ACUWLJTUMNESTF-HNNXBMFYSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131779798 371128915 /nfs/dbraw/zinc/12/89/15/371128915.db2.gz ACUWLJTUMNESTF-HNNXBMFYSA-N 2 2 290.313 3.013 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC[NH3+] ZINC000133227692 371236802 /nfs/dbraw/zinc/23/68/02/371236802.db2.gz RURHYWQFVUXNEV-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC[NH3+] ZINC000133227692 371236805 /nfs/dbraw/zinc/23/68/05/371236805.db2.gz RURHYWQFVUXNEV-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP CC[N@@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000133869198 371285496 /nfs/dbraw/zinc/28/54/96/371285496.db2.gz BEXJNHWEYMFKCQ-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP CC[N@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000133869198 371285501 /nfs/dbraw/zinc/28/55/01/371285501.db2.gz BEXJNHWEYMFKCQ-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc(C(C)C)[nH+]1 ZINC000134055917 371300025 /nfs/dbraw/zinc/30/00/25/371300025.db2.gz CRMYMGYJTNWYPY-UKRRQHHQSA-N 2 2 299.422 3.192 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000135440502 371427275 /nfs/dbraw/zinc/42/72/75/371427275.db2.gz BITQGFTWYZFCOW-UHFFFAOYSA-N 2 2 270.779 3.055 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000421812119 371638850 /nfs/dbraw/zinc/63/88/50/371638850.db2.gz BDSUJKHRZXZQIN-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000421823235 371645458 /nfs/dbraw/zinc/64/54/58/371645458.db2.gz YYJUMEDDQKRECT-NEPJUHHUSA-N 2 2 293.798 3.284 20 0 CGADLP c1c(CC[NH2+][C@H]2CCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152754615 371722403 /nfs/dbraw/zinc/72/24/03/371722403.db2.gz IQYTTXYOFUTFFR-KRWDZBQOSA-N 2 2 281.403 3.039 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)o1 ZINC000152835732 371728906 /nfs/dbraw/zinc/72/89/06/371728906.db2.gz HVHBYCJJARTKDL-ZDUSSCGKSA-N 2 2 287.407 3.268 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000422697803 371757406 /nfs/dbraw/zinc/75/74/06/371757406.db2.gz WHLMFIFCFSKSDC-KBXCAEBGSA-N 2 2 266.388 3.366 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000422697805 371757561 /nfs/dbraw/zinc/75/75/61/371757561.db2.gz WHLMFIFCFSKSDC-KSSFIOAISA-N 2 2 266.388 3.366 20 0 CGADLP CCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422729853 371769418 /nfs/dbraw/zinc/76/94/18/371769418.db2.gz CTBZFVDYUQIBSD-IRXDYDNUSA-N 2 2 282.387 3.320 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000422727423 371770837 /nfs/dbraw/zinc/77/08/37/371770837.db2.gz HKTPNHVEIPDMAE-UONOGXRCSA-N 2 2 252.789 3.090 20 0 CGADLP CCCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422749198 371781255 /nfs/dbraw/zinc/78/12/55/371781255.db2.gz XZQOLMXPJWZXSL-IRXDYDNUSA-N 2 2 276.424 3.268 20 0 CGADLP CCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422749197 371781394 /nfs/dbraw/zinc/78/13/94/371781394.db2.gz XZQOLMXPJWZXSL-IAGOWNOFSA-N 2 2 276.424 3.268 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422748662 371782175 /nfs/dbraw/zinc/78/21/75/371782175.db2.gz VNOSCUVYJMLSKN-HIFRSBDPSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422770971 371794676 /nfs/dbraw/zinc/79/46/76/371794676.db2.gz QXLMMPJGZRJHEJ-HNAYVOBHSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]([NH2+]CCSc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422774198 371797210 /nfs/dbraw/zinc/79/72/10/371797210.db2.gz WBQCBEZXUNKWKZ-FZMZJTMJSA-N 2 2 284.856 3.162 20 0 CGADLP C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)c1cccc(Cl)c1 ZINC000153969701 371806716 /nfs/dbraw/zinc/80/67/16/371806716.db2.gz ZHPOJDALIMSVAN-GFCCVEGCSA-N 2 2 268.832 3.373 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000422794321 371812778 /nfs/dbraw/zinc/81/27/78/371812778.db2.gz YPPCOANGYYOVOX-GJZGRUSLSA-N 2 2 279.428 3.328 20 0 CGADLP C[C@@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422839850 371834992 /nfs/dbraw/zinc/83/49/92/371834992.db2.gz ROOLCHDUXPUFFB-YLGOIMDESA-N 2 2 276.399 3.179 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000154540252 371854922 /nfs/dbraw/zinc/85/49/22/371854922.db2.gz ZGJJHWNWTAYAJC-CHWSQXEVSA-N 2 2 298.377 3.341 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000154540252 371854932 /nfs/dbraw/zinc/85/49/32/371854932.db2.gz ZGJJHWNWTAYAJC-CHWSQXEVSA-N 2 2 298.377 3.341 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000154546501 371855807 /nfs/dbraw/zinc/85/58/07/371855807.db2.gz SRFZRBFJVXNOFX-DOMZBBRYSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000154546501 371855813 /nfs/dbraw/zinc/85/58/13/371855813.db2.gz SRFZRBFJVXNOFX-DOMZBBRYSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422889870 371855734 /nfs/dbraw/zinc/85/57/34/371855734.db2.gz HCTDMYQPVQXUCQ-CKEIUWERSA-N 2 2 276.424 3.265 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000422890963 371858113 /nfs/dbraw/zinc/85/81/13/371858113.db2.gz JTBRHPAVSXAHII-NEPJUHHUSA-N 2 2 267.442 3.016 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000154585968 371860001 /nfs/dbraw/zinc/86/00/01/371860001.db2.gz DWMCQHYFFBKLEA-IUODEOHRSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000154585968 371860004 /nfs/dbraw/zinc/86/00/04/371860004.db2.gz DWMCQHYFFBKLEA-IUODEOHRSA-N 2 2 268.351 3.100 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000289961385 371863220 /nfs/dbraw/zinc/86/32/20/371863220.db2.gz IOVBNBWRBFRSBU-QGZVFWFLSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000289961385 371863227 /nfs/dbraw/zinc/86/32/27/371863227.db2.gz IOVBNBWRBFRSBU-QGZVFWFLSA-N 2 2 283.419 3.060 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C)Cc2ccccc2C1 ZINC000289970950 371866450 /nfs/dbraw/zinc/86/64/50/371866450.db2.gz BRHKGPQXASKGDI-UHFFFAOYSA-N 2 2 280.415 3.470 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422914627 371866470 /nfs/dbraw/zinc/86/64/70/371866470.db2.gz VFBCCZUFUNGWRE-YOEHRIQHSA-N 2 2 288.435 3.238 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422920741 371870039 /nfs/dbraw/zinc/87/00/39/371870039.db2.gz NOFRLGUUDJMIDA-OWCLPIDISA-N 2 2 296.842 3.148 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2(C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422922991 371873747 /nfs/dbraw/zinc/87/37/47/371873747.db2.gz UWISXXBTFQFVHR-IAGOWNOFSA-N 2 2 288.435 3.268 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2(C)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422922993 371874140 /nfs/dbraw/zinc/87/41/40/371874140.db2.gz UWISXXBTFQFVHR-SJORKVTESA-N 2 2 288.435 3.268 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422932076 371877791 /nfs/dbraw/zinc/87/77/91/371877791.db2.gz YRIUGTOUKSKIKF-KGLIPLIRSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1c[nH+]ccc1N ZINC000422952256 371889197 /nfs/dbraw/zinc/88/91/97/371889197.db2.gz BZJQPDAAZIGZAY-CYBMUJFWSA-N 2 2 297.406 3.053 20 0 CGADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422958651 371892551 /nfs/dbraw/zinc/89/25/51/371892551.db2.gz YMSSNJLDZHSAPR-SQNIBIBYSA-N 2 2 282.387 3.109 20 0 CGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422969493 371897165 /nfs/dbraw/zinc/89/71/65/371897165.db2.gz CTVPFBMJLVFYFJ-JKSUJKDBSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1C ZINC000290090249 371900617 /nfs/dbraw/zinc/90/06/17/371900617.db2.gz REIIWFCSFNYZQG-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1C ZINC000290090249 371900623 /nfs/dbraw/zinc/90/06/23/371900623.db2.gz REIIWFCSFNYZQG-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP CCCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000290095091 371900716 /nfs/dbraw/zinc/90/07/16/371900716.db2.gz ZVIACGZSGFVTPF-AWEZNQCLSA-N 2 2 272.396 3.278 20 0 CGADLP CCCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000290095091 371900721 /nfs/dbraw/zinc/90/07/21/371900721.db2.gz ZVIACGZSGFVTPF-AWEZNQCLSA-N 2 2 272.396 3.278 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423065291 371942998 /nfs/dbraw/zinc/94/29/98/371942998.db2.gz TWEGBDURBORCDA-KBPBESRZSA-N 2 2 270.779 3.099 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSC(C)(C)C1 ZINC000290119819 371909357 /nfs/dbraw/zinc/90/93/57/371909357.db2.gz UCZDSCLTABVYOI-UHFFFAOYSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSC(C)(C)C1 ZINC000290119819 371909363 /nfs/dbraw/zinc/90/93/63/371909363.db2.gz UCZDSCLTABVYOI-UHFFFAOYSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009062 371913661 /nfs/dbraw/zinc/91/36/61/371913661.db2.gz BVEIACVPGPDJST-OAUYIBNBSA-N 2 2 276.399 3.315 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009063 371914966 /nfs/dbraw/zinc/91/49/66/371914966.db2.gz BVEIACVPGPDJST-VUCTXSBTSA-N 2 2 276.399 3.315 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423014413 371916187 /nfs/dbraw/zinc/91/61/87/371916187.db2.gz IMILAXSPFOJVFQ-JBBXEZCESA-N 2 2 281.403 3.439 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033694 371926277 /nfs/dbraw/zinc/92/62/77/371926277.db2.gz ZQKARUMQJQMMEM-XHDPSFHLSA-N 2 2 296.817 3.098 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCC1CCOCC1 ZINC000290186690 371927555 /nfs/dbraw/zinc/92/75/55/371927555.db2.gz ZRNBHMSTGQEGJG-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCC1CCOCC1 ZINC000290186690 371927562 /nfs/dbraw/zinc/92/75/62/371927562.db2.gz ZRNBHMSTGQEGJG-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000423130587 371982297 /nfs/dbraw/zinc/98/22/97/371982297.db2.gz GVFZSQPRVXBQIC-HFBAOOFYSA-N 2 2 298.352 3.114 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423173001 372003008 /nfs/dbraw/zinc/00/30/08/372003008.db2.gz WKVYTVNHRNUHQQ-QPKOPYBWSA-N 2 2 296.817 3.455 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C ZINC000423169057 371999813 /nfs/dbraw/zinc/99/98/13/371999813.db2.gz ISGXHGOVHFIIOG-MJGOQNOKSA-N 2 2 295.430 3.281 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423069763 371946393 /nfs/dbraw/zinc/94/63/93/371946393.db2.gz MALVNNTXGYWMAG-PBHICJAKSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423072625 371947850 /nfs/dbraw/zinc/94/78/50/371947850.db2.gz PWNCLKIGHWEFJW-ZIAGYGMSSA-N 2 2 282.815 3.098 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423076020 371949897 /nfs/dbraw/zinc/94/98/97/371949897.db2.gz YFGOABWAFJUURW-GOEBONIOSA-N 2 2 282.472 3.092 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)oc1C ZINC000423191833 372016394 /nfs/dbraw/zinc/01/63/94/372016394.db2.gz UFSZMBIHEPSILL-CQSZACIVSA-N 2 2 287.407 3.122 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423237159 372041646 /nfs/dbraw/zinc/04/16/46/372041646.db2.gz PJRAJWKKFLZMEJ-WFASDCNBSA-N 2 2 268.351 3.004 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423378372 372058345 /nfs/dbraw/zinc/05/83/45/372058345.db2.gz FUHSDXIVMRMQDK-WBMJQRKESA-N 2 2 271.408 3.133 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Br ZINC000157112659 372006108 /nfs/dbraw/zinc/00/61/08/372006108.db2.gz YVYPTYBBZWVUFB-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Br ZINC000157112659 372006114 /nfs/dbraw/zinc/00/61/14/372006114.db2.gz YVYPTYBBZWVUFB-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP COc1cccc2c(N[C@@H](C)Cn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000290540123 372012021 /nfs/dbraw/zinc/01/20/21/372012021.db2.gz PCPBABCGBMACRU-ZDUSSCGKSA-N 2 2 296.374 3.249 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2sccc21 ZINC000423557726 372072707 /nfs/dbraw/zinc/07/27/07/372072707.db2.gz NOZGFCUQNLMLRG-YRGRVCCFSA-N 2 2 264.438 3.418 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)o1 ZINC000423532999 372073071 /nfs/dbraw/zinc/07/30/71/372073071.db2.gz WGOBUQQLARFVMP-XKMJEZSVSA-N 2 2 288.435 3.392 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672031 541868481 /nfs/dbraw/zinc/86/84/81/541868481.db2.gz AVVCYSUSGOPNKR-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672031 541868484 /nfs/dbraw/zinc/86/84/84/541868484.db2.gz AVVCYSUSGOPNKR-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427845992 372175145 /nfs/dbraw/zinc/17/51/45/372175145.db2.gz GFIILRDCPMQLGS-JKIFEVAISA-N 2 2 281.403 3.426 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672705 541869990 /nfs/dbraw/zinc/86/99/90/541869990.db2.gz SPNNLCMXFLJGGK-DLBZAZTESA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672705 541869995 /nfs/dbraw/zinc/86/99/95/541869995.db2.gz SPNNLCMXFLJGGK-DLBZAZTESA-N 2 2 260.425 3.384 20 0 CGADLP CCc1noc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292866305 372231110 /nfs/dbraw/zinc/23/11/10/372231110.db2.gz CTHWVYHQHBLLOY-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000292917510 372247202 /nfs/dbraw/zinc/24/72/02/372247202.db2.gz FXSIMNBELARWSZ-SCNOPHJPSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000292917510 372247209 /nfs/dbraw/zinc/24/72/09/372247209.db2.gz FXSIMNBELARWSZ-SCNOPHJPSA-N 2 2 270.420 3.005 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344298448 217139545 /nfs/dbraw/zinc/13/95/45/217139545.db2.gz DPONXIKVFZZQTF-YJBOKZPZSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344298448 217139549 /nfs/dbraw/zinc/13/95/49/217139549.db2.gz DPONXIKVFZZQTF-YJBOKZPZSA-N 2 2 290.451 3.294 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)Cn1cc[nH+]c1 ZINC000161830340 372356026 /nfs/dbraw/zinc/35/60/26/372356026.db2.gz XREIMZATMCPXKP-AWEZNQCLSA-N 2 2 299.418 3.023 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621757 372407487 /nfs/dbraw/zinc/40/74/87/372407487.db2.gz HFOASTSWMZYAFY-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621757 372407495 /nfs/dbraw/zinc/40/74/95/372407495.db2.gz HFOASTSWMZYAFY-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)n1 ZINC000162861212 372429297 /nfs/dbraw/zinc/42/92/97/372429297.db2.gz TWMPSQFCGMDVNJ-CYBMUJFWSA-N 2 2 299.422 3.031 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000163732298 372490341 /nfs/dbraw/zinc/49/03/41/372490341.db2.gz XOHNMOKAEWMKQC-GOSISDBHSA-N 2 2 290.451 3.043 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000165736130 372555907 /nfs/dbraw/zinc/55/59/07/372555907.db2.gz UJDWKQCIRTUEOT-CYBMUJFWSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000166509871 372575718 /nfs/dbraw/zinc/57/57/18/372575718.db2.gz RQOJTUQWXKIJNP-DOMZBBRYSA-N 2 2 261.344 3.152 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000168659970 372614571 /nfs/dbraw/zinc/61/45/71/372614571.db2.gz ZAUYPRBNGTWKMW-UHFFFAOYSA-N 2 2 255.365 3.131 20 0 CGADLP Cc1ccoc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434015649 372648835 /nfs/dbraw/zinc/64/88/35/372648835.db2.gz CXWVUJKWWZUXRK-WMZOPIPTSA-N 2 2 299.418 3.108 20 0 CGADLP Cc1ccoc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434015649 372648842 /nfs/dbraw/zinc/64/88/42/372648842.db2.gz CXWVUJKWWZUXRK-WMZOPIPTSA-N 2 2 299.418 3.108 20 0 CGADLP Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434015649 372648858 /nfs/dbraw/zinc/64/88/58/372648858.db2.gz CXWVUJKWWZUXRK-WMZOPIPTSA-N 2 2 299.418 3.108 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000167854044 372604457 /nfs/dbraw/zinc/60/44/57/372604457.db2.gz YSAUQEZFBPPTSV-ZMSDIMECSA-N 2 2 290.451 3.130 20 0 CGADLP Cc1sccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000295211397 372704394 /nfs/dbraw/zinc/70/43/94/372704394.db2.gz AQVBVEVKMZLDLV-UHFFFAOYSA-N 2 2 252.427 3.019 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC1CCOCC1 ZINC000434794994 372711213 /nfs/dbraw/zinc/71/12/13/372711213.db2.gz PIBZRFICKDAPDY-QAPCUYQASA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC1CCOCC1 ZINC000434794994 372711221 /nfs/dbraw/zinc/71/12/21/372711221.db2.gz PIBZRFICKDAPDY-QAPCUYQASA-N 2 2 294.483 3.046 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000295399911 372765719 /nfs/dbraw/zinc/76/57/19/372765719.db2.gz QQOUBLJUNFTIMH-CYBMUJFWSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000295399911 372765729 /nfs/dbraw/zinc/76/57/29/372765729.db2.gz QQOUBLJUNFTIMH-CYBMUJFWSA-N 2 2 261.394 3.159 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000435872040 372820912 /nfs/dbraw/zinc/82/09/12/372820912.db2.gz MMARJGUTWDQGBP-AWEZNQCLSA-N 2 2 284.856 3.039 20 0 CGADLP C[NH2+]CCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000435872040 372820915 /nfs/dbraw/zinc/82/09/15/372820915.db2.gz MMARJGUTWDQGBP-AWEZNQCLSA-N 2 2 284.856 3.039 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000435886265 372826815 /nfs/dbraw/zinc/82/68/15/372826815.db2.gz VHHBVSJFAXUMKS-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000435886265 372826822 /nfs/dbraw/zinc/82/68/22/372826822.db2.gz VHHBVSJFAXUMKS-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569240 372830403 /nfs/dbraw/zinc/83/04/03/372830403.db2.gz ZVALYVFBWNYVAR-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569240 372830412 /nfs/dbraw/zinc/83/04/12/372830412.db2.gz ZVALYVFBWNYVAR-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569240 372830418 /nfs/dbraw/zinc/83/04/18/372830418.db2.gz ZVALYVFBWNYVAR-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569240 372830423 /nfs/dbraw/zinc/83/04/23/372830423.db2.gz ZVALYVFBWNYVAR-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2ccc(C)[nH+]c2)on1 ZINC000353446747 220089458 /nfs/dbraw/zinc/08/94/58/220089458.db2.gz INWRVRQCCPQHRK-INIZCTEOSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2CCCc2ccc(C)[nH+]c2)on1 ZINC000353446747 220089460 /nfs/dbraw/zinc/08/94/60/220089460.db2.gz INWRVRQCCPQHRK-INIZCTEOSA-N 2 2 285.391 3.456 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000438082125 372871131 /nfs/dbraw/zinc/87/11/31/372871131.db2.gz AVGSRJGIGYRUAB-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000438082125 372871139 /nfs/dbraw/zinc/87/11/39/372871139.db2.gz AVGSRJGIGYRUAB-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccc(F)cc1 ZINC000438094666 372875570 /nfs/dbraw/zinc/87/55/70/372875570.db2.gz KRBYVSRVNXERKO-QGTPRVQTSA-N 2 2 290.426 3.488 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)c1ccc(F)cc1 ZINC000438094666 372875581 /nfs/dbraw/zinc/87/55/81/372875581.db2.gz KRBYVSRVNXERKO-QGTPRVQTSA-N 2 2 290.426 3.488 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)c1ccc(F)cc1 ZINC000438094666 372875595 /nfs/dbraw/zinc/87/55/95/372875595.db2.gz KRBYVSRVNXERKO-QGTPRVQTSA-N 2 2 290.426 3.488 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)c1ccc(F)cc1 ZINC000438094666 372875603 /nfs/dbraw/zinc/87/56/03/372875603.db2.gz KRBYVSRVNXERKO-QGTPRVQTSA-N 2 2 290.426 3.488 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000438185828 372907939 /nfs/dbraw/zinc/90/79/39/372907939.db2.gz FGZRIMYWAPTAIG-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000438185828 372907946 /nfs/dbraw/zinc/90/79/46/372907946.db2.gz FGZRIMYWAPTAIG-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP COc1cccc2c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc[nH+]c12 ZINC000295885514 372947772 /nfs/dbraw/zinc/94/77/72/372947772.db2.gz DGMITHDAAWTTSK-AGUYFDCRSA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc[nH+]c12 ZINC000295885514 372947783 /nfs/dbraw/zinc/94/77/83/372947783.db2.gz DGMITHDAAWTTSK-AGUYFDCRSA-N 2 2 297.402 3.281 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(OC)ccc1F ZINC000353513305 220127825 /nfs/dbraw/zinc/12/78/25/220127825.db2.gz FNAHELCVNFQAOC-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(OC)ccc1F ZINC000353513305 220127827 /nfs/dbraw/zinc/12/78/27/220127827.db2.gz FNAHELCVNFQAOC-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000296149240 373036838 /nfs/dbraw/zinc/03/68/38/373036838.db2.gz VTZJTQILIMZMMW-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000296149240 373036843 /nfs/dbraw/zinc/03/68/43/373036843.db2.gz VTZJTQILIMZMMW-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442795349 373085964 /nfs/dbraw/zinc/08/59/64/373085964.db2.gz RFYLACRYXLQJAY-UHFFFAOYSA-N 2 2 262.388 3.132 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442795349 373085967 /nfs/dbraw/zinc/08/59/67/373085967.db2.gz RFYLACRYXLQJAY-UHFFFAOYSA-N 2 2 262.388 3.132 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000062077314 541886260 /nfs/dbraw/zinc/88/62/60/541886260.db2.gz YVJJNSREGVWCTG-NEPJUHHUSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000443013636 373141872 /nfs/dbraw/zinc/14/18/72/373141872.db2.gz LWWRNRIFUAJEJR-QAPCUYQASA-N 2 2 285.435 3.115 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000174629241 373346397 /nfs/dbraw/zinc/34/63/97/373346397.db2.gz LJRYCFIOTCZHDY-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000174629241 373346401 /nfs/dbraw/zinc/34/64/01/373346401.db2.gz LJRYCFIOTCZHDY-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447602387 373463597 /nfs/dbraw/zinc/46/35/97/373463597.db2.gz SHQVWCATYKDGIK-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000447602387 373463601 /nfs/dbraw/zinc/46/36/01/373463601.db2.gz SHQVWCATYKDGIK-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP CCC1([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000448552520 373586303 /nfs/dbraw/zinc/58/63/03/373586303.db2.gz DONRFDGKWSNTLC-GOEBONIOSA-N 2 2 258.409 3.182 20 0 CGADLP CCC1([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448552520 373586308 /nfs/dbraw/zinc/58/63/08/373586308.db2.gz DONRFDGKWSNTLC-GOEBONIOSA-N 2 2 258.409 3.182 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000353640811 220213217 /nfs/dbraw/zinc/21/32/17/220213217.db2.gz IASRKAGZXZEJCR-RHSMWYFYSA-N 2 2 285.366 3.147 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000353640811 220213220 /nfs/dbraw/zinc/21/32/20/220213220.db2.gz IASRKAGZXZEJCR-RHSMWYFYSA-N 2 2 285.366 3.147 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300411812 373629186 /nfs/dbraw/zinc/62/91/86/373629186.db2.gz QHNGOFAENLQMCH-NFAWXSAZSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300411812 373629188 /nfs/dbraw/zinc/62/91/88/373629188.db2.gz QHNGOFAENLQMCH-NFAWXSAZSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301087678 373654528 /nfs/dbraw/zinc/65/45/28/373654528.db2.gz NHRCGMNMLCRRNB-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301087678 373654532 /nfs/dbraw/zinc/65/45/32/373654532.db2.gz NHRCGMNMLCRRNB-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449438715 373716288 /nfs/dbraw/zinc/71/62/88/373716288.db2.gz CWNIBSZXLRFIKF-CKEIUWERSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449438715 373716293 /nfs/dbraw/zinc/71/62/93/373716293.db2.gz CWNIBSZXLRFIKF-CKEIUWERSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccoc1 ZINC000177848106 373717421 /nfs/dbraw/zinc/71/74/21/373717421.db2.gz RLVOXZVZEDZVGY-HNNXBMFYSA-N 2 2 295.386 3.418 20 0 CGADLP CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](CC)CC2 ZINC000177326514 373675982 /nfs/dbraw/zinc/67/59/82/373675982.db2.gz OJAPGOUDFVCTPU-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[NH+](CC)CC2 ZINC000177326514 373675990 /nfs/dbraw/zinc/67/59/90/373675990.db2.gz OJAPGOUDFVCTPU-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccccc1C[NH+]1[C@@H]2CC[C@H]1C[N@H+](CC)CC2 ZINC000177326514 373675998 /nfs/dbraw/zinc/67/59/98/373675998.db2.gz OJAPGOUDFVCTPU-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccccc1C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2 ZINC000177326514 373676000 /nfs/dbraw/zinc/67/60/00/373676000.db2.gz OJAPGOUDFVCTPU-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP Cc1cc(NCc2ccccc2C[NH+]2CCCCC2)nc[nH+]1 ZINC000301224260 373696058 /nfs/dbraw/zinc/69/60/58/373696058.db2.gz CLVYFHWOYVQDDR-UHFFFAOYSA-N 2 2 296.418 3.383 20 0 CGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000301304356 373739088 /nfs/dbraw/zinc/73/90/88/373739088.db2.gz XDWVUCDNPKCQBT-UHFFFAOYSA-N 2 2 287.794 3.173 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640363 373799392 /nfs/dbraw/zinc/79/93/92/373799392.db2.gz FTZUESBHJFKJDF-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640363 373799398 /nfs/dbraw/zinc/79/93/98/373799398.db2.gz FTZUESBHJFKJDF-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640363 373799402 /nfs/dbraw/zinc/79/94/02/373799402.db2.gz FTZUESBHJFKJDF-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@@H]21 ZINC000178640363 373799405 /nfs/dbraw/zinc/79/94/05/373799405.db2.gz FTZUESBHJFKJDF-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000302488383 373879945 /nfs/dbraw/zinc/87/99/45/373879945.db2.gz YKPSMOFINCKRKL-LBPRGKRZSA-N 2 2 276.428 3.016 20 0 CGADLP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000302488383 373879952 /nfs/dbraw/zinc/87/99/52/373879952.db2.gz YKPSMOFINCKRKL-LBPRGKRZSA-N 2 2 276.428 3.016 20 0 CGADLP Clc1c[nH+]ccc1NCCCNc1cccc[nH+]1 ZINC000180409451 373999133 /nfs/dbraw/zinc/99/91/33/373999133.db2.gz FDTKRUDNCAMULF-UHFFFAOYSA-N 2 2 262.744 3.044 20 0 CGADLP CC[N@H+](C)CCNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000302912932 374003544 /nfs/dbraw/zinc/00/35/44/374003544.db2.gz UIOIVMMFMBMXRV-UHFFFAOYSA-N 2 2 278.444 3.261 20 0 CGADLP CC[N@@H+](C)CCNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000302912932 374003548 /nfs/dbraw/zinc/00/35/48/374003548.db2.gz UIOIVMMFMBMXRV-UHFFFAOYSA-N 2 2 278.444 3.261 20 0 CGADLP CC(C)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180467185 374011026 /nfs/dbraw/zinc/01/10/26/374011026.db2.gz IDSOSFPAZQEQDV-UHFFFAOYSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000302805596 373969073 /nfs/dbraw/zinc/96/90/73/373969073.db2.gz CRQKMOJBXMGXIV-GASCZTMLSA-N 2 2 269.392 3.350 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000302805596 373969080 /nfs/dbraw/zinc/96/90/80/373969080.db2.gz CRQKMOJBXMGXIV-GASCZTMLSA-N 2 2 269.392 3.350 20 0 CGADLP c1cn(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)c[nH+]1 ZINC000180761169 374042658 /nfs/dbraw/zinc/04/26/58/374042658.db2.gz AQMNKPUZOMBSRZ-UHFFFAOYSA-N 2 2 283.331 3.058 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469150 374150977 /nfs/dbraw/zinc/15/09/77/374150977.db2.gz QPTHTBIUAYBJME-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469150 374150982 /nfs/dbraw/zinc/15/09/82/374150982.db2.gz QPTHTBIUAYBJME-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469150 374150987 /nfs/dbraw/zinc/15/09/87/374150987.db2.gz QPTHTBIUAYBJME-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469150 374150994 /nfs/dbraw/zinc/15/09/94/374150994.db2.gz QPTHTBIUAYBJME-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000308758776 374177394 /nfs/dbraw/zinc/17/73/94/374177394.db2.gz XFVDDXWPEDFOSO-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000308758776 374177401 /nfs/dbraw/zinc/17/74/01/374177401.db2.gz XFVDDXWPEDFOSO-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309725746 374192834 /nfs/dbraw/zinc/19/28/34/374192834.db2.gz NONRWVJBEUYUNE-INIZCTEOSA-N 2 2 297.402 3.024 20 0 CGADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309725746 374192845 /nfs/dbraw/zinc/19/28/45/374192845.db2.gz NONRWVJBEUYUNE-INIZCTEOSA-N 2 2 297.402 3.024 20 0 CGADLP COc1cccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309729496 374195725 /nfs/dbraw/zinc/19/57/25/374195725.db2.gz ONMDJTDIINXPGJ-INIZCTEOSA-N 2 2 298.430 3.305 20 0 CGADLP COc1cccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309729496 374195730 /nfs/dbraw/zinc/19/57/30/374195730.db2.gz ONMDJTDIINXPGJ-INIZCTEOSA-N 2 2 298.430 3.305 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309894006 374202364 /nfs/dbraw/zinc/20/23/64/374202364.db2.gz NKFVFNGYZFWOSG-WMLDXEAASA-N 2 2 260.425 3.428 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309894006 374202372 /nfs/dbraw/zinc/20/23/72/374202372.db2.gz NKFVFNGYZFWOSG-WMLDXEAASA-N 2 2 260.425 3.428 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093928 374219969 /nfs/dbraw/zinc/21/99/69/374219969.db2.gz LZMKLKPEYBMSIP-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093928 374219977 /nfs/dbraw/zinc/21/99/77/374219977.db2.gz LZMKLKPEYBMSIP-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)[nH+]c1 ZINC000314614772 374319051 /nfs/dbraw/zinc/31/90/51/374319051.db2.gz VTUYPRVTAWSCJZ-VMBOVVBDSA-N 2 2 285.435 3.219 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000316700418 374336183 /nfs/dbraw/zinc/33/61/83/374336183.db2.gz BWPSWVCYQAQEKX-YQQAZPJKSA-N 3 2 298.434 3.006 20 0 CGADLP c1cn(CCC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000182878031 374337412 /nfs/dbraw/zinc/33/74/12/374337412.db2.gz BEGXZAMSLNNSIW-GOSISDBHSA-N 2 2 281.403 3.425 20 0 CGADLP c1cn(CCC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000182878031 374337417 /nfs/dbraw/zinc/33/74/17/374337417.db2.gz BEGXZAMSLNNSIW-GOSISDBHSA-N 2 2 281.403 3.425 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000183155381 374378547 /nfs/dbraw/zinc/37/85/47/374378547.db2.gz OKUKEQZZVSANHT-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)CCCn1cc[nH+]c1)CCC2 ZINC000183189983 374385039 /nfs/dbraw/zinc/38/50/39/374385039.db2.gz VYGSZPVWNZKWNX-AWEZNQCLSA-N 2 2 290.436 3.048 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCn1cc[nH+]c1)CCC2 ZINC000183189983 374385043 /nfs/dbraw/zinc/38/50/43/374385043.db2.gz VYGSZPVWNZKWNX-AWEZNQCLSA-N 2 2 290.436 3.048 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334428653 374743112 /nfs/dbraw/zinc/74/31/12/374743112.db2.gz IIIGBSQDVXQMRP-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP CCCc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000187090369 374969049 /nfs/dbraw/zinc/96/90/49/374969049.db2.gz BRTJWESPVDCHEO-UHFFFAOYSA-N 2 2 257.381 3.016 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)cc1 ZINC000186926907 374940005 /nfs/dbraw/zinc/94/00/05/374940005.db2.gz UABVXWUHHFUMEV-KRWDZBQOSA-N 2 2 269.392 3.323 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CCCCC3)CC2 ZINC000334735586 375017762 /nfs/dbraw/zinc/01/77/62/375017762.db2.gz PYGALYDGOBMLAS-LSDHHAIUSA-N 2 2 273.424 3.291 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1c[nH+]ccc1N ZINC000335012235 375070167 /nfs/dbraw/zinc/07/01/67/375070167.db2.gz XDXRGMKXSDXLHF-XHDPSFHLSA-N 2 2 285.416 3.382 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000474061549 375075844 /nfs/dbraw/zinc/07/58/44/375075844.db2.gz SMNOXQHLOSHIKW-ZBFHGGJFSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000474061549 375075850 /nfs/dbraw/zinc/07/58/50/375075850.db2.gz SMNOXQHLOSHIKW-ZBFHGGJFSA-N 2 2 262.441 3.316 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000474119686 375083398 /nfs/dbraw/zinc/08/33/98/375083398.db2.gz RUIXJCKITKLZSM-UHFFFAOYSA-N 2 2 278.415 3.304 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000474119686 375083407 /nfs/dbraw/zinc/08/34/07/375083407.db2.gz RUIXJCKITKLZSM-UHFFFAOYSA-N 2 2 278.415 3.304 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2c1C ZINC000473115396 375043873 /nfs/dbraw/zinc/04/38/73/375043873.db2.gz ANGMVSYAPQDMEI-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2c1C ZINC000473115396 375043877 /nfs/dbraw/zinc/04/38/77/375043877.db2.gz ANGMVSYAPQDMEI-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2c1C ZINC000473115396 375043880 /nfs/dbraw/zinc/04/38/80/375043880.db2.gz ANGMVSYAPQDMEI-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)cc2c1C ZINC000473115396 375043885 /nfs/dbraw/zinc/04/38/85/375043885.db2.gz ANGMVSYAPQDMEI-KXBFYZLASA-N 2 2 297.446 3.311 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000187672687 375067753 /nfs/dbraw/zinc/06/77/53/375067753.db2.gz DXIYRCZFMYTNBX-ZDUSSCGKSA-N 2 2 283.485 3.485 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000187672687 375067764 /nfs/dbraw/zinc/06/77/64/375067764.db2.gz DXIYRCZFMYTNBX-ZDUSSCGKSA-N 2 2 283.485 3.485 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189074881 375319394 /nfs/dbraw/zinc/31/93/94/375319394.db2.gz YXWZNNHGJSQNQP-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189074881 375319399 /nfs/dbraw/zinc/31/93/99/375319399.db2.gz YXWZNNHGJSQNQP-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000189078341 375320840 /nfs/dbraw/zinc/32/08/40/375320840.db2.gz DDKIUAMOUIZSAN-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2Cl)C1 ZINC000189078341 375320848 /nfs/dbraw/zinc/32/08/48/375320848.db2.gz DDKIUAMOUIZSAN-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189078341 375320853 /nfs/dbraw/zinc/32/08/53/375320853.db2.gz DDKIUAMOUIZSAN-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189078341 375320859 /nfs/dbraw/zinc/32/08/59/375320859.db2.gz DDKIUAMOUIZSAN-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699107 375355626 /nfs/dbraw/zinc/35/56/26/375355626.db2.gz AJKRPFPJWMFNIX-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699107 375355630 /nfs/dbraw/zinc/35/56/30/375355630.db2.gz AJKRPFPJWMFNIX-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699107 375355636 /nfs/dbraw/zinc/35/56/36/375355636.db2.gz AJKRPFPJWMFNIX-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699107 375355642 /nfs/dbraw/zinc/35/56/42/375355642.db2.gz AJKRPFPJWMFNIX-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190688218 375530706 /nfs/dbraw/zinc/53/07/06/375530706.db2.gz YJEWNXJDDFTKQE-KRWDZBQOSA-N 2 2 288.435 3.049 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190688218 375530713 /nfs/dbraw/zinc/53/07/13/375530713.db2.gz YJEWNXJDDFTKQE-KRWDZBQOSA-N 2 2 288.435 3.049 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336002751 375610167 /nfs/dbraw/zinc/61/01/67/375610167.db2.gz WUQSHGYPNCRHFR-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336002751 375610171 /nfs/dbraw/zinc/61/01/71/375610171.db2.gz WUQSHGYPNCRHFR-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000336102745 375687276 /nfs/dbraw/zinc/68/72/76/375687276.db2.gz MZRXUDJIEWNZMF-HOCLYGCPSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192286088 375724495 /nfs/dbraw/zinc/72/44/95/375724495.db2.gz NATKZXLOTZDOIT-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192286088 375724507 /nfs/dbraw/zinc/72/45/07/375724507.db2.gz NATKZXLOTZDOIT-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP CCC(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000192398986 375745871 /nfs/dbraw/zinc/74/58/71/375745871.db2.gz FEHMEKGENMXXPA-UHFFFAOYSA-N 2 2 296.378 3.059 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000336179792 375752587 /nfs/dbraw/zinc/75/25/87/375752587.db2.gz RQDWUUTVFPCCRA-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000336179792 375752594 /nfs/dbraw/zinc/75/25/94/375752594.db2.gz RQDWUUTVFPCCRA-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cccc(NCCc2cn3cccc(C)c3[nH+]2)[nH+]1 ZINC000128030190 542050225 /nfs/dbraw/zinc/05/02/25/542050225.db2.gz SUHAYYFXZVKELP-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@@H+]1C ZINC000336600962 375864073 /nfs/dbraw/zinc/86/40/73/375864073.db2.gz UTDJGYKOKZRUKZ-SMDDNHRTSA-N 2 2 273.355 3.269 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@H+]1C ZINC000336600962 375864082 /nfs/dbraw/zinc/86/40/82/375864082.db2.gz UTDJGYKOKZRUKZ-SMDDNHRTSA-N 2 2 273.355 3.269 20 0 CGADLP Cc1nc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000336803773 375953792 /nfs/dbraw/zinc/95/37/92/375953792.db2.gz ZRXFHBXQWBDEOC-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1nc(C)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000336803773 375953794 /nfs/dbraw/zinc/95/37/94/375953794.db2.gz ZRXFHBXQWBDEOC-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194062622 375955720 /nfs/dbraw/zinc/95/57/20/375955720.db2.gz IMHRUNAVQLZCDX-CXAGYDPISA-N 2 2 288.435 3.367 20 0 CGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000194066602 375956724 /nfs/dbraw/zinc/95/67/24/375956724.db2.gz BYQRFUFLAXCQOE-WMLDXEAASA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000194066602 375956728 /nfs/dbraw/zinc/95/67/28/375956728.db2.gz BYQRFUFLAXCQOE-WMLDXEAASA-N 2 2 299.418 3.283 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC000535316652 376033966 /nfs/dbraw/zinc/03/39/66/376033966.db2.gz OXJBOYVCACKLOZ-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC000535316652 376033973 /nfs/dbraw/zinc/03/39/73/376033973.db2.gz OXJBOYVCACKLOZ-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000535315012 376034831 /nfs/dbraw/zinc/03/48/31/376034831.db2.gz WCHOZFKKWGBCCB-AWEZNQCLSA-N 2 2 287.432 3.002 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000535315012 376034839 /nfs/dbraw/zinc/03/48/39/376034839.db2.gz WCHOZFKKWGBCCB-AWEZNQCLSA-N 2 2 287.432 3.002 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068900 376077950 /nfs/dbraw/zinc/07/79/50/376077950.db2.gz OOVUXXGJXIUFSO-QWHCGFSZSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877660 376142016 /nfs/dbraw/zinc/14/20/16/376142016.db2.gz QBVHUNMOVPTZMJ-SMDDNHRTSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877660 376142021 /nfs/dbraw/zinc/14/20/21/376142021.db2.gz QBVHUNMOVPTZMJ-SMDDNHRTSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000538062666 376218828 /nfs/dbraw/zinc/21/88/28/376218828.db2.gz UAHOJTDAAQBEFE-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000538062666 376218834 /nfs/dbraw/zinc/21/88/34/376218834.db2.gz UAHOJTDAAQBEFE-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP CC(C)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000538393174 376238860 /nfs/dbraw/zinc/23/88/60/376238860.db2.gz IAGPGBXWHGCGRN-QGZVFWFLSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000538393174 376238867 /nfs/dbraw/zinc/23/88/67/376238867.db2.gz IAGPGBXWHGCGRN-QGZVFWFLSA-N 2 2 274.452 3.457 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000223821954 376263940 /nfs/dbraw/zinc/26/39/40/376263940.db2.gz GNHURMHGBMQJFZ-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCO[C@@H]3C)ccc2n1C1CC1 ZINC000338449239 376378952 /nfs/dbraw/zinc/37/89/52/376378952.db2.gz WRTJVVNIZMJNKU-IUODEOHRSA-N 2 2 299.418 3.201 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338687567 376479471 /nfs/dbraw/zinc/47/94/71/376479471.db2.gz MNCXUQIDXAIAJZ-JHNDHUHGSA-N 2 2 269.392 3.053 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000228821173 376448742 /nfs/dbraw/zinc/44/87/42/376448742.db2.gz UPDVUCRHIUOEKV-XEBKBJJBSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000228821173 376448748 /nfs/dbraw/zinc/44/87/48/376448748.db2.gz UPDVUCRHIUOEKV-XEBKBJJBSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000230408348 376512964 /nfs/dbraw/zinc/51/29/64/376512964.db2.gz YLPWXAKDLZNLMM-CABCVRRESA-N 2 2 273.424 3.076 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517583 376551385 /nfs/dbraw/zinc/55/13/85/376551385.db2.gz GGSAKABPHHTZNM-AEFFLSMTSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517583 376551392 /nfs/dbraw/zinc/55/13/92/376551392.db2.gz GGSAKABPHHTZNM-AEFFLSMTSA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000338786855 376535885 /nfs/dbraw/zinc/53/58/85/376535885.db2.gz NZJZQDNOOXJFTP-JLSDUUJJSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000338786855 376535892 /nfs/dbraw/zinc/53/58/92/376535892.db2.gz NZJZQDNOOXJFTP-JLSDUUJJSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@H+](C)C(C)C)c1ccccc1 ZINC000232706156 376586006 /nfs/dbraw/zinc/58/60/06/376586006.db2.gz MXURLNPUQRZAIP-QGZVFWFLSA-N 2 2 262.441 3.356 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@@H+](C)C(C)C)c1ccccc1 ZINC000232706156 376586009 /nfs/dbraw/zinc/58/60/09/376586009.db2.gz MXURLNPUQRZAIP-QGZVFWFLSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404055 376636749 /nfs/dbraw/zinc/63/67/49/376636749.db2.gz FKYNQEOSEFHEOW-KEYYUXOJSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404055 376636757 /nfs/dbraw/zinc/63/67/57/376636757.db2.gz FKYNQEOSEFHEOW-KEYYUXOJSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404052 376638411 /nfs/dbraw/zinc/63/84/11/376638411.db2.gz FKYNQEOSEFHEOW-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404052 376638421 /nfs/dbraw/zinc/63/84/21/376638421.db2.gz FKYNQEOSEFHEOW-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000235943988 376654662 /nfs/dbraw/zinc/65/46/62/376654662.db2.gz CSTMSBXAAGHWNO-WDEREUQCSA-N 2 2 298.228 3.082 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576513 376656301 /nfs/dbraw/zinc/65/63/01/376656301.db2.gz JQXRYNKWJIMYKW-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576513 376656311 /nfs/dbraw/zinc/65/63/11/376656311.db2.gz JQXRYNKWJIMYKW-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576513 376656321 /nfs/dbraw/zinc/65/63/21/376656321.db2.gz JQXRYNKWJIMYKW-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000543576513 376656332 /nfs/dbraw/zinc/65/63/32/376656332.db2.gz JQXRYNKWJIMYKW-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000339080851 376666511 /nfs/dbraw/zinc/66/65/11/376666511.db2.gz PRNNMZNPKNCCFX-RBSFLKMASA-N 2 2 299.418 3.479 20 0 CGADLP C[C@@H](CC[NH2+]Cc1cccc(O)c1Cl)[NH+]1CCCCC1 ZINC000339344849 376747145 /nfs/dbraw/zinc/74/71/45/376747145.db2.gz CXYHKJDPSBKEML-ZDUSSCGKSA-N 2 2 296.842 3.400 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281033 542101332 /nfs/dbraw/zinc/10/13/32/542101332.db2.gz KVDVBJCIRJYKPW-HNAYVOBHSA-N 2 2 295.430 3.143 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782512 542138381 /nfs/dbraw/zinc/13/83/81/542138381.db2.gz KKZKGMCAYNXJLJ-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782512 542138388 /nfs/dbraw/zinc/13/83/88/542138388.db2.gz KKZKGMCAYNXJLJ-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157780717 542139480 /nfs/dbraw/zinc/13/94/80/542139480.db2.gz KATRRUMFFFTILH-AEFFLSMTSA-N 2 2 270.420 3.138 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157780717 542139483 /nfs/dbraw/zinc/13/94/83/542139483.db2.gz KATRRUMFFFTILH-AEFFLSMTSA-N 2 2 270.420 3.138 20 0 CGADLP CCCc1[nH+]ccn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000339690027 376813270 /nfs/dbraw/zinc/81/32/70/376813270.db2.gz GSSVWLMIWIFZME-UHFFFAOYSA-N 2 2 274.755 3.185 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245481768 376830388 /nfs/dbraw/zinc/83/03/88/376830388.db2.gz YPWLAUVVHGTCDO-KGLIPLIRSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245481768 376830393 /nfs/dbraw/zinc/83/03/93/376830393.db2.gz YPWLAUVVHGTCDO-KGLIPLIRSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245481768 376830402 /nfs/dbraw/zinc/83/04/02/376830402.db2.gz YPWLAUVVHGTCDO-KGLIPLIRSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245481768 376830408 /nfs/dbraw/zinc/83/04/08/376830408.db2.gz YPWLAUVVHGTCDO-KGLIPLIRSA-N 2 2 293.455 3.307 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)n2c1 ZINC000245551146 376849283 /nfs/dbraw/zinc/84/92/83/376849283.db2.gz AWWSPWHAQPRTCL-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCC[C@H]4CCC[C@H]43)n2c1 ZINC000245551146 376849288 /nfs/dbraw/zinc/84/92/88/376849288.db2.gz AWWSPWHAQPRTCL-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000556871673 376895443 /nfs/dbraw/zinc/89/54/43/376895443.db2.gz LLUCUFZODXRMCS-DOMZBBRYSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000556871673 376895450 /nfs/dbraw/zinc/89/54/50/376895450.db2.gz LLUCUFZODXRMCS-DOMZBBRYSA-N 2 2 294.389 3.112 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000558973297 377057905 /nfs/dbraw/zinc/05/79/05/377057905.db2.gz HPSDNDJUVUJTKZ-GDBMZVCRSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000558973297 377057914 /nfs/dbraw/zinc/05/79/14/377057914.db2.gz HPSDNDJUVUJTKZ-GDBMZVCRSA-N 2 2 252.446 3.133 20 0 CGADLP CCC1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000560235575 377130852 /nfs/dbraw/zinc/13/08/52/377130852.db2.gz KCWRAQMOLWCZTQ-OBHHBEAMSA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000560235575 377130868 /nfs/dbraw/zinc/13/08/68/377130868.db2.gz KCWRAQMOLWCZTQ-OBHHBEAMSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247018558 377140343 /nfs/dbraw/zinc/14/03/43/377140343.db2.gz LRHIOMXTSFCBEZ-FZMZJTMJSA-N 2 2 290.382 3.453 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018558 377140351 /nfs/dbraw/zinc/14/03/51/377140351.db2.gz LRHIOMXTSFCBEZ-FZMZJTMJSA-N 2 2 290.382 3.453 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000562055871 377270255 /nfs/dbraw/zinc/27/02/55/377270255.db2.gz AHLKSAXPQSMAKY-QAPCUYQASA-N 2 2 287.451 3.347 20 0 CGADLP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247977836 377252046 /nfs/dbraw/zinc/25/20/46/377252046.db2.gz LOARYFOUTLFACS-NVXWUHKLSA-N 2 2 275.440 3.072 20 0 CGADLP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247977836 377252054 /nfs/dbraw/zinc/25/20/54/377252054.db2.gz LOARYFOUTLFACS-NVXWUHKLSA-N 2 2 275.440 3.072 20 0 CGADLP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562968952 377380874 /nfs/dbraw/zinc/38/08/74/377380874.db2.gz FTWGGGMXZLPGNG-ZWKOTPCHSA-N 2 2 288.410 3.088 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249042282 377448507 /nfs/dbraw/zinc/44/85/07/377448507.db2.gz VBOVQGAGDOCHMP-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249042282 377448510 /nfs/dbraw/zinc/44/85/10/377448510.db2.gz VBOVQGAGDOCHMP-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000341260936 377474737 /nfs/dbraw/zinc/47/47/37/377474737.db2.gz GZUFFEQALNTBBE-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000341260936 377474740 /nfs/dbraw/zinc/47/47/40/377474740.db2.gz GZUFFEQALNTBBE-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP c1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000084642663 249010811 /nfs/dbraw/zinc/01/08/11/249010811.db2.gz JIDDNGYUBHZCEN-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nccs1 ZINC000093516622 249037532 /nfs/dbraw/zinc/03/75/32/249037532.db2.gz CTWPXZXECYZTNU-AVGNSLFASA-N 2 2 267.442 3.105 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000313250559 249089698 /nfs/dbraw/zinc/08/96/98/249089698.db2.gz JPKWBGCPVTZZTG-OAHLLOKOSA-N 2 2 277.799 3.357 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000313271291 249090219 /nfs/dbraw/zinc/09/02/19/249090219.db2.gz DHMAFZHZZQMCHZ-UHFFFAOYSA-N 2 2 261.413 3.055 20 0 CGADLP Cc1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)no1 ZINC000459505289 249153239 /nfs/dbraw/zinc/15/32/39/249153239.db2.gz SKBQCJGHWGABIT-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP COc1cc(C)ccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000449205429 249139379 /nfs/dbraw/zinc/13/93/79/249139379.db2.gz KJLBBBBNFWSJPJ-UHFFFAOYSA-N 2 2 270.376 3.039 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000514947459 249195373 /nfs/dbraw/zinc/19/53/73/249195373.db2.gz ZHMVFSGCTWFOSV-UHFFFAOYSA-N 2 2 299.393 3.281 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000177546413 542191762 /nfs/dbraw/zinc/19/17/62/542191762.db2.gz YJLYVRCROWGSSY-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000177546413 542191765 /nfs/dbraw/zinc/19/17/65/542191765.db2.gz YJLYVRCROWGSSY-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341478129 377583391 /nfs/dbraw/zinc/58/33/91/377583391.db2.gz GXCFCVWJOLVRRS-OLZOCXBDSA-N 2 2 275.421 3.460 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)C1CC1 ZINC000516161930 249227256 /nfs/dbraw/zinc/22/72/56/249227256.db2.gz GAWQHTSGSONMJN-AWEZNQCLSA-N 2 2 279.453 3.018 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2Br)C1 ZINC000251498066 377584430 /nfs/dbraw/zinc/58/44/30/377584430.db2.gz FEECIFWYOXQUCW-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2Br)C1 ZINC000251498066 377584441 /nfs/dbraw/zinc/58/44/41/377584441.db2.gz FEECIFWYOXQUCW-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000252154849 377615285 /nfs/dbraw/zinc/61/52/85/377615285.db2.gz PAOKLWJNYDBUAM-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252154849 377615290 /nfs/dbraw/zinc/61/52/90/377615290.db2.gz PAOKLWJNYDBUAM-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000574097515 377618925 /nfs/dbraw/zinc/61/89/25/377618925.db2.gz BORZZVFALJWWEN-UHFFFAOYSA-N 2 2 275.783 3.022 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000574097515 377618937 /nfs/dbraw/zinc/61/89/37/377618937.db2.gz BORZZVFALJWWEN-UHFFFAOYSA-N 2 2 275.783 3.022 20 0 CGADLP COCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000252802739 377665544 /nfs/dbraw/zinc/66/55/44/377665544.db2.gz USCOFRMBZCSPMU-CRAIPNDOSA-N 2 2 299.418 3.113 20 0 CGADLP CCC1CC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000342684103 377733622 /nfs/dbraw/zinc/73/36/22/377733622.db2.gz BEDDNJCUUPGJBV-UQPPLGOBSA-N 2 2 260.425 3.285 20 0 CGADLP CCC1CC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000342684103 377733626 /nfs/dbraw/zinc/73/36/26/377733626.db2.gz BEDDNJCUUPGJBV-UQPPLGOBSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000342722311 377756112 /nfs/dbraw/zinc/75/61/12/377756112.db2.gz GYIXALYDWQGTBU-YWPYICTPSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000342722311 377756117 /nfs/dbraw/zinc/75/61/17/377756117.db2.gz GYIXALYDWQGTBU-YWPYICTPSA-N 2 2 266.816 3.473 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000342820241 377817918 /nfs/dbraw/zinc/81/79/18/377817918.db2.gz HMXJJPITSOEESQ-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860376 377841680 /nfs/dbraw/zinc/84/16/80/377841680.db2.gz IWCXOZBBCLXVFJ-BLLLJJGKSA-N 2 2 296.455 3.119 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860376 377841687 /nfs/dbraw/zinc/84/16/87/377841687.db2.gz IWCXOZBBCLXVFJ-BLLLJJGKSA-N 2 2 296.455 3.119 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261582770 377820532 /nfs/dbraw/zinc/82/05/32/377820532.db2.gz RIBPAEVKQSEVBG-JMSVASOKSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261582770 377820536 /nfs/dbraw/zinc/82/05/36/377820536.db2.gz RIBPAEVKQSEVBG-JMSVASOKSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261579264 377821673 /nfs/dbraw/zinc/82/16/73/377821673.db2.gz PKBWPSQNAHDHDG-KYOSRNDESA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261579264 377821679 /nfs/dbraw/zinc/82/16/79/377821679.db2.gz PKBWPSQNAHDHDG-KYOSRNDESA-N 2 2 264.800 3.085 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255896732 377786143 /nfs/dbraw/zinc/78/61/43/377786143.db2.gz AJRBQIMUJGXPCD-BXYJRTLCSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccccc2)CC[N@H+]1C ZINC000255896732 377786148 /nfs/dbraw/zinc/78/61/48/377786148.db2.gz AJRBQIMUJGXPCD-BXYJRTLCSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccccc2)CC[NH+]1C ZINC000255896732 377786158 /nfs/dbraw/zinc/78/61/58/377786158.db2.gz AJRBQIMUJGXPCD-BXYJRTLCSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccccc2)CC[NH+]1C ZINC000255896732 377786165 /nfs/dbraw/zinc/78/61/65/377786165.db2.gz AJRBQIMUJGXPCD-BXYJRTLCSA-N 2 2 258.409 3.114 20 0 CGADLP CSc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261874790 377862759 /nfs/dbraw/zinc/86/27/59/377862759.db2.gz XWSYRXSZHUTTNM-ZWKOTPCHSA-N 2 2 298.455 3.335 20 0 CGADLP CSc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261874790 377862765 /nfs/dbraw/zinc/86/27/65/377862765.db2.gz XWSYRXSZHUTTNM-ZWKOTPCHSA-N 2 2 298.455 3.335 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261981138 377875353 /nfs/dbraw/zinc/87/53/53/377875353.db2.gz RJRRQFKUVZBSNQ-HNNXBMFYSA-N 2 2 286.350 3.151 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261981138 377875360 /nfs/dbraw/zinc/87/53/60/377875360.db2.gz RJRRQFKUVZBSNQ-HNNXBMFYSA-N 2 2 286.350 3.151 20 0 CGADLP CCc1nc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000262223799 377892558 /nfs/dbraw/zinc/89/25/58/377892558.db2.gz MZGKQISTLHAQGD-STQMWFEESA-N 2 2 281.469 3.106 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000261781066 377854086 /nfs/dbraw/zinc/85/40/86/377854086.db2.gz PQUSDDCMSGQTPM-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000261781066 377854090 /nfs/dbraw/zinc/85/40/90/377854090.db2.gz PQUSDDCMSGQTPM-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000343143044 377913152 /nfs/dbraw/zinc/91/31/52/377913152.db2.gz PFHBCAXYUQAMTJ-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000343143044 377913158 /nfs/dbraw/zinc/91/31/58/377913158.db2.gz PFHBCAXYUQAMTJ-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP Fc1cccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000343409569 377972923 /nfs/dbraw/zinc/97/29/23/377972923.db2.gz ANEXRYKFYWLGGO-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759965 377988475 /nfs/dbraw/zinc/98/84/75/377988475.db2.gz YIDGHFNYNLRLRR-WCQYABFASA-N 2 2 279.453 3.112 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759965 377988480 /nfs/dbraw/zinc/98/84/80/377988480.db2.gz YIDGHFNYNLRLRR-WCQYABFASA-N 2 2 279.453 3.112 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000578622263 378086355 /nfs/dbraw/zinc/08/63/55/378086355.db2.gz HANXWKIPQFPJFG-LJQANCHMSA-N 2 2 296.414 3.178 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457892 378040630 /nfs/dbraw/zinc/04/06/30/378040630.db2.gz UBAURVQPESDLPZ-CJNGLKHVSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457892 378040633 /nfs/dbraw/zinc/04/06/33/378040633.db2.gz UBAURVQPESDLPZ-CJNGLKHVSA-N 2 2 285.366 3.416 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000343618317 378042294 /nfs/dbraw/zinc/04/22/94/378042294.db2.gz FGZAYPJIGMMNBU-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000343618317 378042298 /nfs/dbraw/zinc/04/22/98/378042298.db2.gz FGZAYPJIGMMNBU-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267828411 378045246 /nfs/dbraw/zinc/04/52/46/378045246.db2.gz UYFZYVDMJLJWRJ-HALDLXJZSA-N 2 2 284.407 3.182 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2c2ccnn2C)c[nH+]1 ZINC000343635942 378048658 /nfs/dbraw/zinc/04/86/58/378048658.db2.gz HOMVNAHQCVVSLD-GOSISDBHSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2c2ccnn2C)c[nH+]1 ZINC000343635942 378048666 /nfs/dbraw/zinc/04/86/66/378048666.db2.gz HOMVNAHQCVVSLD-GOSISDBHSA-N 2 2 298.434 3.283 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000268819546 378120816 /nfs/dbraw/zinc/12/08/16/378120816.db2.gz NOCDUINCVOJWIY-ZIAGYGMSSA-N 2 2 280.375 3.171 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000343924788 378135651 /nfs/dbraw/zinc/13/56/51/378135651.db2.gz HSOFCWOCCOGHRF-CQSZACIVSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000343924788 378135652 /nfs/dbraw/zinc/13/56/52/378135652.db2.gz HSOFCWOCCOGHRF-CQSZACIVSA-N 2 2 260.425 3.285 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000579220582 378140678 /nfs/dbraw/zinc/14/06/78/378140678.db2.gz JGCTUBKRWVDTBP-ZWKOTPCHSA-N 2 2 296.414 3.362 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c2ccccc21 ZINC000343785922 378091580 /nfs/dbraw/zinc/09/15/80/378091580.db2.gz FSGIMGAFMADEJE-KFZJALRRSA-N 2 2 258.409 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c2ccccc21 ZINC000343785922 378091585 /nfs/dbraw/zinc/09/15/85/378091585.db2.gz FSGIMGAFMADEJE-KFZJALRRSA-N 2 2 258.409 3.307 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1F ZINC000268735350 378098802 /nfs/dbraw/zinc/09/88/02/378098802.db2.gz NMQCCLQZJQRXIO-CYBMUJFWSA-N 2 2 261.344 3.072 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCC1 ZINC000268743439 378101651 /nfs/dbraw/zinc/10/16/51/378101651.db2.gz DUKXUGLXKPIURQ-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C ZINC000345188221 378218729 /nfs/dbraw/zinc/21/87/29/378218729.db2.gz GEFFVFWVLLVJQO-VXGBXAGGSA-N 2 2 275.421 3.215 20 0 CGADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@H]1C ZINC000345188221 378218736 /nfs/dbraw/zinc/21/87/36/378218736.db2.gz GEFFVFWVLLVJQO-VXGBXAGGSA-N 2 2 275.421 3.215 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000579408120 378157294 /nfs/dbraw/zinc/15/72/94/378157294.db2.gz RPPNOBXMPSXPRL-NEPJUHHUSA-N 2 2 288.357 3.349 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000268945978 378159090 /nfs/dbraw/zinc/15/90/90/378159090.db2.gz WSFBQNNVJWJIRL-AGIUHOORSA-N 2 2 291.464 3.328 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC12CCCCC2 ZINC000584537796 378393819 /nfs/dbraw/zinc/39/38/19/378393819.db2.gz VPGBVCMZCQYBMN-UHFFFAOYSA-N 2 2 261.413 3.151 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC12CCCCC2 ZINC000584537796 378393825 /nfs/dbraw/zinc/39/38/25/378393825.db2.gz VPGBVCMZCQYBMN-UHFFFAOYSA-N 2 2 261.413 3.151 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000270678580 378387523 /nfs/dbraw/zinc/38/75/23/378387523.db2.gz UBNNTLQLOCSLBS-CJNGLKHVSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000270678580 378387527 /nfs/dbraw/zinc/38/75/27/378387527.db2.gz UBNNTLQLOCSLBS-CJNGLKHVSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1ccsc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271133331 378459735 /nfs/dbraw/zinc/45/97/35/378459735.db2.gz AZBSKTPUKMNSPI-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)[nH]1 ZINC000271167930 378468030 /nfs/dbraw/zinc/46/80/30/378468030.db2.gz CHDPPGXGHDVUKG-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1ccoc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000271039944 378435477 /nfs/dbraw/zinc/43/54/77/378435477.db2.gz MFUFTLKMCHRLCL-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000271184222 378475366 /nfs/dbraw/zinc/47/53/66/378475366.db2.gz IZXYFYKELIVIBA-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000271184222 378475369 /nfs/dbraw/zinc/47/53/69/378475369.db2.gz IZXYFYKELIVIBA-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271184222 378475374 /nfs/dbraw/zinc/47/53/74/378475374.db2.gz IZXYFYKELIVIBA-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271184222 378475375 /nfs/dbraw/zinc/47/53/75/378475375.db2.gz IZXYFYKELIVIBA-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000271187685 378477187 /nfs/dbraw/zinc/47/71/87/378477187.db2.gz KJHXYVANOKNCEV-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP C[N@H+](Cc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161257 378484028 /nfs/dbraw/zinc/48/40/28/378484028.db2.gz FIZYXVBLBUCCTQ-UHFFFAOYSA-N 2 2 273.361 3.159 20 0 CGADLP C[N@@H+](Cc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346161257 378484034 /nfs/dbraw/zinc/48/40/34/378484034.db2.gz FIZYXVBLBUCCTQ-UHFFFAOYSA-N 2 2 273.361 3.159 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315602 378540693 /nfs/dbraw/zinc/54/06/93/378540693.db2.gz UEYXWMXISIWHDN-MSOLQXFVSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315602 378540696 /nfs/dbraw/zinc/54/06/96/378540696.db2.gz UEYXWMXISIWHDN-MSOLQXFVSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000346345670 378552407 /nfs/dbraw/zinc/55/24/07/378552407.db2.gz WZGSBCCRGSUNOS-MMIPBJDJSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000346345670 378552412 /nfs/dbraw/zinc/55/24/12/378552412.db2.gz WZGSBCCRGSUNOS-MMIPBJDJSA-N 2 2 272.436 3.313 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346576654 378630960 /nfs/dbraw/zinc/63/09/60/378630960.db2.gz SQGGUWHABRUANG-YJBOKZPZSA-N 2 2 299.418 3.482 20 0 CGADLP Fc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272425380 378634874 /nfs/dbraw/zinc/63/48/74/378634874.db2.gz GZMHEZITJJZRHY-HNNXBMFYSA-N 2 2 287.382 3.361 20 0 CGADLP Fc1cccc(CCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000272425380 378634877 /nfs/dbraw/zinc/63/48/77/378634877.db2.gz GZMHEZITJJZRHY-HNNXBMFYSA-N 2 2 287.382 3.361 20 0 CGADLP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000346501478 378597901 /nfs/dbraw/zinc/59/79/01/378597901.db2.gz OYEUVXKKSWDQSV-OAGGEKHMSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000346501478 378597909 /nfs/dbraw/zinc/59/79/09/378597909.db2.gz OYEUVXKKSWDQSV-OAGGEKHMSA-N 2 2 282.472 3.139 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346601655 378639934 /nfs/dbraw/zinc/63/99/34/378639934.db2.gz HNXPMGFHUXRCJZ-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CCCCOCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346532945 378607780 /nfs/dbraw/zinc/60/77/80/378607780.db2.gz GPBUGQHHKHZMBQ-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000346645169 378659167 /nfs/dbraw/zinc/65/91/67/378659167.db2.gz NYYOJSYZEXEGCQ-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000346645169 378659174 /nfs/dbraw/zinc/65/91/74/378659174.db2.gz NYYOJSYZEXEGCQ-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346660633 378665726 /nfs/dbraw/zinc/66/57/26/378665726.db2.gz VSPMRNPPMALSCF-CYBMUJFWSA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346660633 378665734 /nfs/dbraw/zinc/66/57/34/378665734.db2.gz VSPMRNPPMALSCF-CYBMUJFWSA-N 2 2 276.380 3.087 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000346665817 378668132 /nfs/dbraw/zinc/66/81/32/378668132.db2.gz BQJPVPHCKIRRNC-GDBMZVCRSA-N 2 2 287.407 3.018 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346693371 378678046 /nfs/dbraw/zinc/67/80/46/378678046.db2.gz MRCAXKBARJZUMQ-CQSZACIVSA-N 2 2 283.485 3.147 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346693371 378678053 /nfs/dbraw/zinc/67/80/53/378678053.db2.gz MRCAXKBARJZUMQ-CQSZACIVSA-N 2 2 283.485 3.147 20 0 CGADLP Cc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC000266165119 190236886 /nfs/dbraw/zinc/23/68/86/190236886.db2.gz PCJSTUIMMPDIGE-UHFFFAOYSA-N 2 2 296.418 3.383 20 0 CGADLP CCC[C@H](C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)OC ZINC000638287542 378756175 /nfs/dbraw/zinc/75/61/75/378756175.db2.gz VAEPNNULNFBCMH-HUUCEWRRSA-N 2 2 296.480 3.290 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(O)CCC(C)C ZINC000348043752 378763514 /nfs/dbraw/zinc/76/35/14/378763514.db2.gz PESGXZJKCIFPDT-KRWDZBQOSA-N 2 2 278.440 3.099 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)CCC2 ZINC000348104935 378795092 /nfs/dbraw/zinc/79/50/92/378795092.db2.gz FJCSLFVPNCDLAN-RRFJBIMHSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC[N@@H+]1C ZINC000346784447 218012035 /nfs/dbraw/zinc/01/20/35/218012035.db2.gz BMBXUPWIDNDUOA-VHDGCEQUSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC[N@H+]1C ZINC000346784447 218012038 /nfs/dbraw/zinc/01/20/38/218012038.db2.gz BMBXUPWIDNDUOA-VHDGCEQUSA-N 2 2 276.424 3.365 20 0 CGADLP CCc1ccc([C@@H](CO)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348139825 378809845 /nfs/dbraw/zinc/80/98/45/378809845.db2.gz JWRNJNMBAWOMRN-LJQANCHMSA-N 2 2 298.430 3.208 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811012 /nfs/dbraw/zinc/81/10/12/378811012.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811013 /nfs/dbraw/zinc/81/10/13/378811013.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811019 /nfs/dbraw/zinc/81/10/19/378811019.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142919 378811025 /nfs/dbraw/zinc/81/10/25/378811025.db2.gz ZQWJGJGMEKBNDG-NVXWUHKLSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1sccc1Cl ZINC000278492682 194009929 /nfs/dbraw/zinc/00/99/29/194009929.db2.gz MFMDMXMRMNKYTD-UHFFFAOYSA-N 2 2 266.797 3.437 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]CCCC1CCCCC1)CC2 ZINC000348184578 378827973 /nfs/dbraw/zinc/82/79/73/378827973.db2.gz HXXZSZJGVOOSOW-OAHLLOKOSA-N 2 2 261.413 3.148 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccon1 ZINC000348261127 378870808 /nfs/dbraw/zinc/87/08/08/378870808.db2.gz KMJXOKKEQFWUBR-YQQAZPJKSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccon1 ZINC000348261127 378870814 /nfs/dbraw/zinc/87/08/14/378870814.db2.gz KMJXOKKEQFWUBR-YQQAZPJKSA-N 2 2 299.418 3.236 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COc2ccc(F)cc21 ZINC000348227548 378849637 /nfs/dbraw/zinc/84/96/37/378849637.db2.gz FFUGHTLLNGGJKK-INIZCTEOSA-N 2 2 286.350 3.185 20 0 CGADLP CC[C@@](C)(C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638689598 378871524 /nfs/dbraw/zinc/87/15/24/378871524.db2.gz MKAWMXBCEKZISE-PBHICJAKSA-N 2 2 287.407 3.338 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274823634 378901626 /nfs/dbraw/zinc/90/16/26/378901626.db2.gz BYROSTAJRZNYIW-GFCCVEGCSA-N 2 2 281.831 3.258 20 0 CGADLP CC[C@](C)(C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638689599 378872130 /nfs/dbraw/zinc/87/21/30/378872130.db2.gz MKAWMXBCEKZISE-RHSMWYFYSA-N 2 2 287.407 3.338 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000348358144 378925842 /nfs/dbraw/zinc/92/58/42/378925842.db2.gz JLWSXZYUTODEMV-CYBMUJFWSA-N 2 2 295.496 3.463 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)s1 ZINC000348358144 378925850 /nfs/dbraw/zinc/92/58/50/378925850.db2.gz JLWSXZYUTODEMV-CYBMUJFWSA-N 2 2 295.496 3.463 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274885506 378912780 /nfs/dbraw/zinc/91/27/80/378912780.db2.gz HSDSPOBABJETGJ-NVXWUHKLSA-N 2 2 283.419 3.468 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274885506 378912784 /nfs/dbraw/zinc/91/27/84/378912784.db2.gz HSDSPOBABJETGJ-NVXWUHKLSA-N 2 2 283.419 3.468 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347019908 218095542 /nfs/dbraw/zinc/09/55/42/218095542.db2.gz LYAXVIUSRYQXHS-KGLIPLIRSA-N 2 2 272.417 3.228 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347019908 218095544 /nfs/dbraw/zinc/09/55/44/218095544.db2.gz LYAXVIUSRYQXHS-KGLIPLIRSA-N 2 2 272.417 3.228 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000370123887 378986010 /nfs/dbraw/zinc/98/60/10/378986010.db2.gz UDCNKIVTSSXVIF-UHFFFAOYSA-N 2 2 298.430 3.069 20 0 CGADLP CCOc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370130609 378986609 /nfs/dbraw/zinc/98/66/09/378986609.db2.gz HUAQMKJVNLOCKZ-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108383 218125126 /nfs/dbraw/zinc/12/51/26/218125126.db2.gz OJRAJXACWQTBNF-IAQYHMDHSA-N 2 2 276.355 3.274 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108383 218125127 /nfs/dbraw/zinc/12/51/27/218125127.db2.gz OJRAJXACWQTBNF-IAQYHMDHSA-N 2 2 276.355 3.274 20 0 CGADLP C[C@H]([NH2+]CC1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000639055672 378989681 /nfs/dbraw/zinc/98/96/81/378989681.db2.gz ZTVGVTQHOSWYOW-YOEHRIQHSA-N 2 2 292.492 3.411 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000347142672 218136281 /nfs/dbraw/zinc/13/62/81/218136281.db2.gz XDDQQMNZWOFQDK-LJQANCHMSA-N 2 2 293.414 3.075 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000347142672 218136284 /nfs/dbraw/zinc/13/62/84/218136284.db2.gz XDDQQMNZWOFQDK-LJQANCHMSA-N 2 2 293.414 3.075 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000348706743 379024968 /nfs/dbraw/zinc/02/49/68/379024968.db2.gz USISYSLQRZIINJ-QAPCUYQASA-N 2 2 292.467 3.112 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370683762 379055742 /nfs/dbraw/zinc/05/57/42/379055742.db2.gz ZPIIZZUWUJOGGP-GJZGRUSLSA-N 2 2 299.418 3.428 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CCSCc1ccccc1 ZINC000348835296 379072449 /nfs/dbraw/zinc/07/24/49/379072449.db2.gz SYRVIEAJVVDKCX-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+]CCSCc1ccccc1 ZINC000348835296 379072454 /nfs/dbraw/zinc/07/24/54/379072454.db2.gz SYRVIEAJVVDKCX-QGZVFWFLSA-N 2 2 292.492 3.384 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000639173727 379093198 /nfs/dbraw/zinc/09/31/98/379093198.db2.gz HNISDEHRFWLVAW-OAHLLOKOSA-N 2 2 292.471 3.208 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000639173727 379093205 /nfs/dbraw/zinc/09/32/05/379093205.db2.gz HNISDEHRFWLVAW-OAHLLOKOSA-N 2 2 292.471 3.208 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000349124034 379164430 /nfs/dbraw/zinc/16/44/30/379164430.db2.gz AOVAYTQLUICSRN-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000349124034 379164435 /nfs/dbraw/zinc/16/44/35/379164435.db2.gz AOVAYTQLUICSRN-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000373099617 379219444 /nfs/dbraw/zinc/21/94/44/379219444.db2.gz NUKPPZOEBSBDCW-GFCCVEGCSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000373099617 379219457 /nfs/dbraw/zinc/21/94/57/379219457.db2.gz NUKPPZOEBSBDCW-GFCCVEGCSA-N 2 2 291.345 3.078 20 0 CGADLP C[C@H]1C[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349351546 379242541 /nfs/dbraw/zinc/24/25/41/379242541.db2.gz QLJCFBWJRMFROG-HOCLYGCPSA-N 2 2 261.413 3.031 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349383933 379261873 /nfs/dbraw/zinc/26/18/73/379261873.db2.gz NBYOLYPYXLIZSJ-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349383933 379261884 /nfs/dbraw/zinc/26/18/84/379261884.db2.gz NBYOLYPYXLIZSJ-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449158084 284773072 /nfs/dbraw/zinc/77/30/72/284773072.db2.gz XREMRQDPHLYWRW-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccs2)CC1 ZINC000639378177 379337222 /nfs/dbraw/zinc/33/72/22/379337222.db2.gz DTPWQPOENAGFPF-UHFFFAOYSA-N 2 2 252.427 3.054 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000639378142 379337789 /nfs/dbraw/zinc/33/77/89/379337789.db2.gz CAKMQASBSWCAPF-UHFFFAOYSA-N 2 2 292.471 3.013 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(O)c1)CCC2 ZINC000374205415 379393105 /nfs/dbraw/zinc/39/31/05/379393105.db2.gz PIKICYRTMOFAKS-DZGCQCFKSA-N 2 2 285.391 3.125 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+]CCCn1cc[nH+]c1 ZINC000278945995 194224561 /nfs/dbraw/zinc/22/45/61/194224561.db2.gz YPLRFRDKQKORKR-UHFFFAOYSA-N 2 2 295.789 3.288 20 0 CGADLP CCO[C@@H]1CCC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639499836 379435813 /nfs/dbraw/zinc/43/58/13/379435813.db2.gz IQRAOQCICSRQKB-OAHLLOKOSA-N 2 2 262.397 3.008 20 0 CGADLP CCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639499836 379435818 /nfs/dbraw/zinc/43/58/18/379435818.db2.gz IQRAOQCICSRQKB-OAHLLOKOSA-N 2 2 262.397 3.008 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374538467 379456612 /nfs/dbraw/zinc/45/66/12/379456612.db2.gz QUSHZOBOFONUPX-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374538467 379456617 /nfs/dbraw/zinc/45/66/17/379456617.db2.gz QUSHZOBOFONUPX-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H](C)c2cccnc2)c(C)[nH+]1 ZINC000639563764 379476215 /nfs/dbraw/zinc/47/62/15/379476215.db2.gz ZWTMTLLKIXLOBU-CYBMUJFWSA-N 2 2 255.365 3.253 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(C)[nH+]1 ZINC000639575324 379484512 /nfs/dbraw/zinc/48/45/12/379484512.db2.gz HKGCBJORFGEWLV-CYBMUJFWSA-N 2 2 284.350 3.210 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(C)[nH+]1 ZINC000639575324 379484519 /nfs/dbraw/zinc/48/45/19/379484519.db2.gz HKGCBJORFGEWLV-CYBMUJFWSA-N 2 2 284.350 3.210 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCOCC3(CCC3)C2)c(C)[nH+]1 ZINC000639585575 379493892 /nfs/dbraw/zinc/49/38/92/379493892.db2.gz LGHGUYMFRQUTER-UHFFFAOYSA-N 2 2 274.408 3.009 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCOCC3(CCC3)C2)c(C)[nH+]1 ZINC000639585575 379493900 /nfs/dbraw/zinc/49/39/00/379493900.db2.gz LGHGUYMFRQUTER-UHFFFAOYSA-N 2 2 274.408 3.009 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768922 379600891 /nfs/dbraw/zinc/60/08/91/379600891.db2.gz OWJHSXVJCIZMDW-ZIAGYGMSSA-N 2 2 261.413 3.135 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000280188347 379634190 /nfs/dbraw/zinc/63/41/90/379634190.db2.gz HUJSENVHTQJWSB-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000280188347 379634198 /nfs/dbraw/zinc/63/41/98/379634198.db2.gz HUJSENVHTQJWSB-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000640015188 379687219 /nfs/dbraw/zinc/68/72/19/379687219.db2.gz GPNXGABIKPVLAN-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381220 379694251 /nfs/dbraw/zinc/69/42/51/379694251.db2.gz UFUGIHYDQIAFNP-ZFWWWQNUSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381220 379694258 /nfs/dbraw/zinc/69/42/58/379694258.db2.gz UFUGIHYDQIAFNP-ZFWWWQNUSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381220 379694264 /nfs/dbraw/zinc/69/42/64/379694264.db2.gz UFUGIHYDQIAFNP-ZFWWWQNUSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC000280381220 379694270 /nfs/dbraw/zinc/69/42/70/379694270.db2.gz UFUGIHYDQIAFNP-ZFWWWQNUSA-N 2 2 280.362 3.150 20 0 CGADLP Cc1nsc(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984811 379674647 /nfs/dbraw/zinc/67/46/47/379674647.db2.gz ZKNQOGBXJDYTFO-UHFFFAOYSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377409966 379674810 /nfs/dbraw/zinc/67/48/10/379674810.db2.gz JAWPUKXAEYWISB-GOEBONIOSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377409966 379674815 /nfs/dbraw/zinc/67/48/15/379674815.db2.gz JAWPUKXAEYWISB-GOEBONIOSA-N 2 2 283.419 3.186 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000377726975 379730035 /nfs/dbraw/zinc/73/00/35/379730035.db2.gz QFUPLCUSOQXCJM-YOEHRIQHSA-N 2 2 296.418 3.349 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839387 379749006 /nfs/dbraw/zinc/74/90/06/379749006.db2.gz IRBYOALNVUWEHZ-SWLSCSKDSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839387 379749012 /nfs/dbraw/zinc/74/90/12/379749012.db2.gz IRBYOALNVUWEHZ-SWLSCSKDSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839387 379749022 /nfs/dbraw/zinc/74/90/22/379749022.db2.gz IRBYOALNVUWEHZ-SWLSCSKDSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839387 379749028 /nfs/dbraw/zinc/74/90/28/379749028.db2.gz IRBYOALNVUWEHZ-SWLSCSKDSA-N 2 2 298.352 3.020 20 0 CGADLP COc1ccccc1/C=C/C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378342129 379805578 /nfs/dbraw/zinc/80/55/78/379805578.db2.gz NUFZSAKBWZDWQT-GQCTYLIASA-N 2 2 297.402 3.311 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000347755829 218346802 /nfs/dbraw/zinc/34/68/02/218346802.db2.gz YQEJFJFTYKGVQE-DZGCQCFKSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000347755829 218346803 /nfs/dbraw/zinc/34/68/03/218346803.db2.gz YQEJFJFTYKGVQE-DZGCQCFKSA-N 2 2 273.380 3.029 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000352702449 379916506 /nfs/dbraw/zinc/91/65/06/379916506.db2.gz WYRPUCQSCBGNIS-OAHLLOKOSA-N 2 2 298.365 3.152 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000571220898 322293323 /nfs/dbraw/zinc/29/33/23/322293323.db2.gz KMSSOFKEELKHEX-ARFHVFGLSA-N 2 2 264.457 3.418 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000352793079 379963934 /nfs/dbraw/zinc/96/39/34/379963934.db2.gz DCKHELSAVGILOL-ZBFHGGJFSA-N 2 2 273.424 3.466 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000571220898 322293325 /nfs/dbraw/zinc/29/33/25/322293325.db2.gz KMSSOFKEELKHEX-ARFHVFGLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000399039839 379933545 /nfs/dbraw/zinc/93/35/45/379933545.db2.gz QTLMCRAGWYZIDU-MDZLAQPJSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000400510538 379951176 /nfs/dbraw/zinc/95/11/76/379951176.db2.gz LKJAEOGJFLMEJC-GMXVVIOVSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718492 379953561 /nfs/dbraw/zinc/95/35/61/379953561.db2.gz NVJYLIALBJWBFO-GYSYKLTISA-N 2 2 252.789 3.131 20 0 CGADLP CSc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000641752442 380079235 /nfs/dbraw/zinc/07/92/35/380079235.db2.gz FBXPPEQTDLDJFT-UHFFFAOYSA-N 2 2 280.437 3.108 20 0 CGADLP CC(C)COCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000283172944 380042469 /nfs/dbraw/zinc/04/24/69/380042469.db2.gz DQSSRLJOKHNSMG-OAHLLOKOSA-N 2 2 287.407 3.196 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352929543 380044176 /nfs/dbraw/zinc/04/41/76/380044176.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352929543 380044182 /nfs/dbraw/zinc/04/41/82/380044182.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352929543 380044186 /nfs/dbraw/zinc/04/41/86/380044186.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000352929543 380044191 /nfs/dbraw/zinc/04/41/91/380044191.db2.gz GYOMPJOIVJTTOE-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP FC(F)(F)C1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000353098595 380114036 /nfs/dbraw/zinc/11/40/36/380114036.db2.gz IJWDGJCRKHSXSB-UHFFFAOYSA-N 2 2 283.297 3.157 20 0 CGADLP CCCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000642343425 380167316 /nfs/dbraw/zinc/16/73/16/380167316.db2.gz QWFZTXOYOGPNQB-CQSZACIVSA-N 2 2 257.381 3.014 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000414479431 380257177 /nfs/dbraw/zinc/25/71/77/380257177.db2.gz AVCLYMZDGUJRGR-OALUTQOASA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000414479431 380257188 /nfs/dbraw/zinc/25/71/88/380257188.db2.gz AVCLYMZDGUJRGR-OALUTQOASA-N 2 2 296.414 3.131 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2nccs2)c[nH+]1 ZINC000414494333 380270520 /nfs/dbraw/zinc/27/05/20/380270520.db2.gz JYVNYHNDSYYRDB-LBPRGKRZSA-N 2 2 261.394 3.130 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502150 380324245 /nfs/dbraw/zinc/32/42/45/380324245.db2.gz YHOOVJPHIGDGGY-YPMHNXCESA-N 2 2 281.469 3.368 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000354101104 380325362 /nfs/dbraw/zinc/32/53/62/380325362.db2.gz QSOJRTWRLWSMEM-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000354101104 380325367 /nfs/dbraw/zinc/32/53/67/380325367.db2.gz QSOJRTWRLWSMEM-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354101104 380325374 /nfs/dbraw/zinc/32/53/74/380325374.db2.gz QSOJRTWRLWSMEM-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354101104 380325383 /nfs/dbraw/zinc/32/53/83/380325383.db2.gz QSOJRTWRLWSMEM-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000643506817 380328560 /nfs/dbraw/zinc/32/85/60/380328560.db2.gz JIRFOWFHRQKNGF-VIFPVBQESA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)c2sccc21 ZINC000643507691 380329916 /nfs/dbraw/zinc/32/99/16/380329916.db2.gz MSKPSBXFTFHBIC-GXFFZTMASA-N 2 2 250.411 3.028 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507718 380330237 /nfs/dbraw/zinc/33/02/37/380330237.db2.gz NPSALJWFOAOTGC-IAGOWNOFSA-N 2 2 258.409 3.213 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCCCF)C[N@@H+]1Cc1ccccc1 ZINC000643321192 380275983 /nfs/dbraw/zinc/27/59/83/380275983.db2.gz FHKXHYSYZYTOIN-MRXNPFEDSA-N 2 2 278.415 3.379 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCCCF)C[N@H+]1Cc1ccccc1 ZINC000643321192 380275992 /nfs/dbraw/zinc/27/59/92/380275992.db2.gz FHKXHYSYZYTOIN-MRXNPFEDSA-N 2 2 278.415 3.379 20 0 CGADLP CC(C)C[C@H]([NH3+])c1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414499718 380276410 /nfs/dbraw/zinc/27/64/10/380276410.db2.gz ZPKZOEJZXANIBH-QWHCGFSZSA-N 2 2 280.416 3.086 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCCCF)C[N@@H+]1Cc1ccccc1 ZINC000643321191 380276471 /nfs/dbraw/zinc/27/64/71/380276471.db2.gz FHKXHYSYZYTOIN-INIZCTEOSA-N 2 2 278.415 3.379 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCCCF)C[N@H+]1Cc1ccccc1 ZINC000643321191 380276477 /nfs/dbraw/zinc/27/64/77/380276477.db2.gz FHKXHYSYZYTOIN-INIZCTEOSA-N 2 2 278.415 3.379 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000643344758 380285841 /nfs/dbraw/zinc/28/58/41/380285841.db2.gz LBUPISAJINOOFV-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000643344758 380285847 /nfs/dbraw/zinc/28/58/47/380285847.db2.gz LBUPISAJINOOFV-SMDDNHRTSA-N 2 2 284.806 3.094 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467553 380315522 /nfs/dbraw/zinc/31/55/22/380315522.db2.gz UHWATQSEDWKNQS-APHBMKBZSA-N 2 2 296.842 3.148 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000348091956 218453976 /nfs/dbraw/zinc/45/39/76/218453976.db2.gz ZKUWLXBLGXFTKZ-DZGCQCFKSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000643528476 380344552 /nfs/dbraw/zinc/34/45/52/380344552.db2.gz JXIBEDDXDQNBMT-KWQFWETISA-N 2 2 289.206 3.144 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Cl)sc1Cl ZINC000643528837 380345250 /nfs/dbraw/zinc/34/52/50/380345250.db2.gz QBDQYZJXHOUQEE-NTSWFWBYSA-N 2 2 253.198 3.053 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000643530029 380346639 /nfs/dbraw/zinc/34/66/39/380346639.db2.gz YCMAUGOTYJREDL-ZJUUUORDSA-N 2 2 258.768 3.128 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@@H](C[NH3+])C1 ZINC000414764356 380394924 /nfs/dbraw/zinc/39/49/24/380394924.db2.gz DEMYSMGVLDDCKS-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@@H](C[NH3+])C1 ZINC000414764356 380394930 /nfs/dbraw/zinc/39/49/30/380394930.db2.gz DEMYSMGVLDDCKS-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167407 380351624 /nfs/dbraw/zinc/35/16/24/380351624.db2.gz QIEZAMSYCKMOIL-HFTRVMKXSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167407 380351626 /nfs/dbraw/zinc/35/16/26/380351626.db2.gz QIEZAMSYCKMOIL-HFTRVMKXSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354167407 380351628 /nfs/dbraw/zinc/35/16/28/380351628.db2.gz QIEZAMSYCKMOIL-HFTRVMKXSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000354167407 380351633 /nfs/dbraw/zinc/35/16/33/380351633.db2.gz QIEZAMSYCKMOIL-HFTRVMKXSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2ccccc2c1 ZINC000643536810 380353516 /nfs/dbraw/zinc/35/35/16/380353516.db2.gz VSSDRHPFRHYMJD-DQYPLSBCSA-N 2 2 272.367 3.190 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414658037 380356724 /nfs/dbraw/zinc/35/67/24/380356724.db2.gz IXDVBBDLKRFLIU-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414658037 380356731 /nfs/dbraw/zinc/35/67/31/380356731.db2.gz IXDVBBDLKRFLIU-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354180935 380356881 /nfs/dbraw/zinc/35/68/81/380356881.db2.gz KDXVDQKYODIJEW-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354180935 380356886 /nfs/dbraw/zinc/35/68/86/380356886.db2.gz KDXVDQKYODIJEW-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC000414809556 380422854 /nfs/dbraw/zinc/42/28/54/380422854.db2.gz GWHBCWBBACDQMH-GFCCVEGCSA-N 2 2 258.768 3.086 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)cc1Cl ZINC000414814624 380425459 /nfs/dbraw/zinc/42/54/59/380425459.db2.gz VRQTZTHARHMCKO-UHFFFAOYSA-N 2 2 258.768 3.086 20 0 CGADLP Cc1ccc(CCC[NH2+][C@](C)(CO)C2CCCCC2)c[nH+]1 ZINC000354402554 380425656 /nfs/dbraw/zinc/42/56/56/380425656.db2.gz HVSUGQFTVIARJD-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822270 380431610 /nfs/dbraw/zinc/43/16/10/380431610.db2.gz DNUMSRQKOMLNFK-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825911 380435091 /nfs/dbraw/zinc/43/50/91/380435091.db2.gz DHYRNIVVGMPMGC-KBXCAEBGSA-N 2 2 286.394 3.436 20 0 CGADLP [NH3+][C@@H](C[NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000414828879 380437657 /nfs/dbraw/zinc/43/76/57/380437657.db2.gz JRGQUQNBKKSUQY-KRWDZBQOSA-N 2 2 286.444 3.209 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829809 380437841 /nfs/dbraw/zinc/43/78/41/380437841.db2.gz LGHDPRINQHCTQS-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)Cc1ncc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414855581 380457673 /nfs/dbraw/zinc/45/76/73/380457673.db2.gz XCHWQYNIPDERHU-HNNXBMFYSA-N 2 2 295.496 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1C ZINC000644536543 380441684 /nfs/dbraw/zinc/44/16/84/380441684.db2.gz GFDVMWHHUKCCOY-JHNDHUHGSA-N 2 2 283.419 3.338 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000354457052 380446276 /nfs/dbraw/zinc/44/62/76/380446276.db2.gz DQYGTZJDXBSTJR-MRXNPFEDSA-N 2 2 274.408 3.014 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839969 380447902 /nfs/dbraw/zinc/44/79/02/380447902.db2.gz WVCXQWLJANBMAU-PWSUYJOCSA-N 2 2 260.303 3.007 20 0 CGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844345 380450341 /nfs/dbraw/zinc/45/03/41/380450341.db2.gz KSHWJKQNTFVLSP-AWEZNQCLSA-N 2 2 272.417 3.257 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414851442 380453866 /nfs/dbraw/zinc/45/38/66/380453866.db2.gz UIMDCTRSUMBHFT-CQSZACIVSA-N 2 2 290.407 3.396 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000414850524 380454197 /nfs/dbraw/zinc/45/41/97/380454197.db2.gz SKPFINJJXWYLCK-GFCCVEGCSA-N 2 2 290.407 3.396 20 0 CGADLP CC(C)c1ncc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414851532 380454522 /nfs/dbraw/zinc/45/45/22/380454522.db2.gz PDJALOJPYIACPH-CQSZACIVSA-N 2 2 281.469 3.264 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414789593 380405136 /nfs/dbraw/zinc/40/51/36/380405136.db2.gz FKXDNKRNVKTQFS-HNNXBMFYSA-N 2 2 296.842 3.202 20 0 CGADLP CCC[NH+]1CCC(C[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354353709 380409946 /nfs/dbraw/zinc/40/99/46/380409946.db2.gz VQXZLHVVHCDECX-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc2ccccc2c1 ZINC000414945251 380500205 /nfs/dbraw/zinc/50/02/05/380500205.db2.gz RIHOLLDWMAGQOK-SJORKVTESA-N 2 2 286.444 3.325 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414959578 380502600 /nfs/dbraw/zinc/50/26/00/380502600.db2.gz SPNXXOLYXYASJK-UKPHBRMFSA-N 2 2 258.409 3.042 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000415070311 380507549 /nfs/dbraw/zinc/50/75/49/380507549.db2.gz UPQFHECYZNOJJY-KZNAEPCWSA-N 2 2 272.436 3.417 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354638899 380510147 /nfs/dbraw/zinc/51/01/47/380510147.db2.gz VPVPEWGXIALHTJ-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414874803 380470275 /nfs/dbraw/zinc/47/02/75/380470275.db2.gz ZHRAKOLEUMCZPX-GFCCVEGCSA-N 2 2 292.732 3.200 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000354525445 380471308 /nfs/dbraw/zinc/47/13/08/380471308.db2.gz JODBNIIOKKITRZ-MRXNPFEDSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000354525445 380471313 /nfs/dbraw/zinc/47/13/13/380471313.db2.gz JODBNIIOKKITRZ-MRXNPFEDSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cccc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)[nH+]1 ZINC000354880862 380562707 /nfs/dbraw/zinc/56/27/07/380562707.db2.gz OUMOHBXTHRGLSH-JYJNAYRXSA-N 2 2 273.424 3.232 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417299557 380586228 /nfs/dbraw/zinc/58/62/28/380586228.db2.gz NAOBDQLRHCFHON-RWMBFGLXSA-N 2 2 266.454 3.170 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417309087 380589990 /nfs/dbraw/zinc/58/99/90/380589990.db2.gz DHWNJEMLGCYLFC-VHDGCEQUSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417309087 380589997 /nfs/dbraw/zinc/58/99/97/380589997.db2.gz DHWNJEMLGCYLFC-VHDGCEQUSA-N 2 2 278.465 3.314 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000355156903 380602563 /nfs/dbraw/zinc/60/25/63/380602563.db2.gz NUQNCCSUCBKGES-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC000355156903 380602569 /nfs/dbraw/zinc/60/25/69/380602569.db2.gz NUQNCCSUCBKGES-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc2cc[nH+]c(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000645192301 380610780 /nfs/dbraw/zinc/61/07/80/380610780.db2.gz JBJBAXLVMSDIIZ-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355481601 380682408 /nfs/dbraw/zinc/68/24/08/380682408.db2.gz DPKYPVOHKNVNBX-NXOUGTEYSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355481601 380682415 /nfs/dbraw/zinc/68/24/15/380682415.db2.gz DPKYPVOHKNVNBX-NXOUGTEYSA-N 2 2 288.410 3.275 20 0 CGADLP CCc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355732678 380762498 /nfs/dbraw/zinc/76/24/98/380762498.db2.gz SRBCQIMWMOUUJM-UHFFFAOYSA-N 2 2 281.359 3.318 20 0 CGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645793717 380734506 /nfs/dbraw/zinc/73/45/06/380734506.db2.gz MMQNJAPRGMQOOY-ZDUSSCGKSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645793717 380734509 /nfs/dbraw/zinc/73/45/09/380734509.db2.gz MMQNJAPRGMQOOY-ZDUSSCGKSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(F)c1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000645833704 380745658 /nfs/dbraw/zinc/74/56/58/380745658.db2.gz LTESOKZTTADMGA-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP COc1ccccc1C1([NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000646001839 380795240 /nfs/dbraw/zinc/79/52/40/380795240.db2.gz RJKNXUVYZHDUIA-UHFFFAOYSA-N 2 2 282.387 3.220 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096261 380832939 /nfs/dbraw/zinc/83/29/39/380832939.db2.gz DWPNZERUGIBPKL-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096261 380832945 /nfs/dbraw/zinc/83/29/45/380832945.db2.gz DWPNZERUGIBPKL-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096261 380832953 /nfs/dbraw/zinc/83/29/53/380832953.db2.gz DWPNZERUGIBPKL-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096261 380832963 /nfs/dbraw/zinc/83/29/63/380832963.db2.gz DWPNZERUGIBPKL-DLBZAZTESA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339152 380881948 /nfs/dbraw/zinc/88/19/48/380881948.db2.gz FPWZFANYDVUXFX-UGSOOPFHSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339152 380881954 /nfs/dbraw/zinc/88/19/54/380881954.db2.gz FPWZFANYDVUXFX-UGSOOPFHSA-N 2 2 270.420 3.136 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccccc1)CCC2 ZINC000359952290 381385224 /nfs/dbraw/zinc/38/52/24/381385224.db2.gz KZKMCQHTJVEMLA-ZBFHGGJFSA-N 2 2 269.392 3.420 20 0 CGADLP Cc1occc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334856653 207193286 /nfs/dbraw/zinc/19/32/86/207193286.db2.gz RJYXTSFMZNICHS-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP C=Cc1ccc(CC[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000361122932 381651881 /nfs/dbraw/zinc/65/18/81/381651881.db2.gz MIIFJOFTPWFBIN-UHFFFAOYSA-N 2 2 277.371 3.310 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361349432 381711162 /nfs/dbraw/zinc/71/11/62/381711162.db2.gz VGCWPQCDXBTDMQ-CGTJXYLNSA-N 2 2 295.430 3.231 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361349432 381711169 /nfs/dbraw/zinc/71/11/69/381711169.db2.gz VGCWPQCDXBTDMQ-CGTJXYLNSA-N 2 2 295.430 3.231 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557213 381802623 /nfs/dbraw/zinc/80/26/23/381802623.db2.gz OTJZHJCWYBTJEX-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557213 381802631 /nfs/dbraw/zinc/80/26/31/381802631.db2.gz OTJZHJCWYBTJEX-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557213 381802635 /nfs/dbraw/zinc/80/26/35/381802635.db2.gz OTJZHJCWYBTJEX-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557213 381802643 /nfs/dbraw/zinc/80/26/43/381802643.db2.gz OTJZHJCWYBTJEX-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ncccc2C)[nH+]1 ZINC000362340574 381947988 /nfs/dbraw/zinc/94/79/88/381947988.db2.gz LPNVWDFONRJSJA-INIZCTEOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ncccc2C)[nH+]1 ZINC000362340574 381947994 /nfs/dbraw/zinc/94/79/94/381947994.db2.gz LPNVWDFONRJSJA-INIZCTEOSA-N 2 2 296.418 3.170 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000334952488 207347806 /nfs/dbraw/zinc/34/78/06/207347806.db2.gz XUYPXEBZSQDXDV-UHFFFAOYSA-N 2 2 279.453 3.155 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000334952488 207347808 /nfs/dbraw/zinc/34/78/08/207347808.db2.gz XUYPXEBZSQDXDV-UHFFFAOYSA-N 2 2 279.453 3.155 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524825 382036105 /nfs/dbraw/zinc/03/61/05/382036105.db2.gz JOYIDGDQZOUQQY-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524825 382036109 /nfs/dbraw/zinc/03/61/09/382036109.db2.gz JOYIDGDQZOUQQY-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524825 382036115 /nfs/dbraw/zinc/03/61/15/382036115.db2.gz JOYIDGDQZOUQQY-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524825 382036118 /nfs/dbraw/zinc/03/61/18/382036118.db2.gz JOYIDGDQZOUQQY-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000362913547 382144344 /nfs/dbraw/zinc/14/43/44/382144344.db2.gz NWGQSFRQTNXAQV-OAHLLOKOSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000362913547 382144347 /nfs/dbraw/zinc/14/43/47/382144347.db2.gz NWGQSFRQTNXAQV-OAHLLOKOSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000362913698 382144467 /nfs/dbraw/zinc/14/44/67/382144467.db2.gz OLEGDBGWTUAJRI-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000362913698 382144470 /nfs/dbraw/zinc/14/44/70/382144470.db2.gz OLEGDBGWTUAJRI-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362911755 382144712 /nfs/dbraw/zinc/14/47/12/382144712.db2.gz DEDONKVNIPLUCO-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362911755 382144720 /nfs/dbraw/zinc/14/47/20/382144720.db2.gz DEDONKVNIPLUCO-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP CSc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000231784121 542304910 /nfs/dbraw/zinc/30/49/10/542304910.db2.gz HSBUGOAHGOIUDT-UHFFFAOYSA-N 2 2 286.444 3.369 20 0 CGADLP CSc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000231784121 542304913 /nfs/dbraw/zinc/30/49/13/542304913.db2.gz HSBUGOAHGOIUDT-UHFFFAOYSA-N 2 2 286.444 3.369 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000251911496 542348977 /nfs/dbraw/zinc/34/89/77/542348977.db2.gz XTAHJVSDSRGDRM-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000251911496 542348983 /nfs/dbraw/zinc/34/89/83/542348983.db2.gz XTAHJVSDSRGDRM-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423454657 532994335 /nfs/dbraw/zinc/99/43/35/532994335.db2.gz ZIMXZSJYFSAHTN-VQVTYTSYSA-N 2 2 267.225 3.441 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000335257509 208040626 /nfs/dbraw/zinc/04/06/26/208040626.db2.gz RKZXGYUWVLUUDU-WDEREUQCSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000335257509 208040631 /nfs/dbraw/zinc/04/06/31/208040631.db2.gz RKZXGYUWVLUUDU-WDEREUQCSA-N 2 2 296.827 3.076 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)CCC[N@@H+]1C ZINC000350396968 219014301 /nfs/dbraw/zinc/01/43/01/219014301.db2.gz YAWSILWJPPXNHB-LXROSGEFSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)CCC[N@H+]1C ZINC000350396968 219014302 /nfs/dbraw/zinc/01/43/02/219014302.db2.gz YAWSILWJPPXNHB-LXROSGEFSA-N 2 2 280.362 3.050 20 0 CGADLP CCCOc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000289262322 197277903 /nfs/dbraw/zinc/27/79/03/197277903.db2.gz MUFCYVJODVBNMG-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423403681 533107637 /nfs/dbraw/zinc/10/76/37/533107637.db2.gz ZHUDQHUSBDDEDW-CJNGLKHVSA-N 2 2 276.424 3.124 20 0 CGADLP CCc1ccc([C@H](O)C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289105696 197236232 /nfs/dbraw/zinc/23/62/32/197236232.db2.gz CLODVWJUIBYXEM-LJQANCHMSA-N 2 2 298.430 3.208 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423530592 533113592 /nfs/dbraw/zinc/11/35/92/533113592.db2.gz PTZCDSDYBLPCJQ-MDASCCDHSA-N 2 2 296.414 3.101 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081753 296390829 /nfs/dbraw/zinc/39/08/29/296390829.db2.gz HQWCSBKJKUFWCA-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449081753 296390831 /nfs/dbraw/zinc/39/08/31/296390831.db2.gz HQWCSBKJKUFWCA-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP CCOCC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000288427502 197075567 /nfs/dbraw/zinc/07/55/67/197075567.db2.gz BKTMFPFQVNCIGI-UHFFFAOYSA-N 2 2 287.407 3.025 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423231967 533168405 /nfs/dbraw/zinc/16/84/05/533168405.db2.gz BNAFLKRSXJXYTQ-SUMWQHHRSA-N 2 2 270.376 3.046 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000424311042 533174045 /nfs/dbraw/zinc/17/40/45/533174045.db2.gz KGDFEFZNEDXNLF-RWMBFGLXSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000424311042 533174050 /nfs/dbraw/zinc/17/40/50/533174050.db2.gz KGDFEFZNEDXNLF-RWMBFGLXSA-N 2 2 296.842 3.482 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000306382801 542420930 /nfs/dbraw/zinc/42/09/30/542420930.db2.gz URVAESFUAZMDBN-MRXNPFEDSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000306382801 542420934 /nfs/dbraw/zinc/42/09/34/542420934.db2.gz URVAESFUAZMDBN-MRXNPFEDSA-N 2 2 268.404 3.297 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325050641 542442800 /nfs/dbraw/zinc/44/28/00/542442800.db2.gz PJOGFCSNESWDPU-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000325050641 542442803 /nfs/dbraw/zinc/44/28/03/542442803.db2.gz PJOGFCSNESWDPU-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000281378243 195216181 /nfs/dbraw/zinc/21/61/81/195216181.db2.gz XBJGOSBKQYMWFL-HZPDHXFCSA-N 2 2 289.467 3.346 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281470913 195254192 /nfs/dbraw/zinc/25/41/92/195254192.db2.gz FFDZPQVXUARIHO-QGZVFWFLSA-N 2 2 285.366 3.208 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CC[C@H]3C3CC3)[nH]c2c1 ZINC000348083020 542514370 /nfs/dbraw/zinc/51/43/70/542514370.db2.gz JXJKRKAQUUFKRK-KBPBESRZSA-N 2 2 269.392 3.274 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000348115776 542514979 /nfs/dbraw/zinc/51/49/79/542514979.db2.gz ZXDBBCMATNYGBT-IXDOHACOSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348103493 542514698 /nfs/dbraw/zinc/51/46/98/542514698.db2.gz CJJOGACUGORHCZ-LQKXBSAESA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348103493 542514708 /nfs/dbraw/zinc/51/47/08/542514708.db2.gz CJJOGACUGORHCZ-LQKXBSAESA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000348101923 542515177 /nfs/dbraw/zinc/51/51/77/542515177.db2.gz JLUCAHXBCLNFIF-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@H]2C2CC2)[nH+]1 ZINC000348104578 542515547 /nfs/dbraw/zinc/51/55/47/542515547.db2.gz QQTXKPSDAKOKJJ-ZWKOTPCHSA-N 2 2 295.430 3.252 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000348120042 542516096 /nfs/dbraw/zinc/51/60/96/542516096.db2.gz HSQATZGTSBHNQF-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000348120042 542516100 /nfs/dbraw/zinc/51/61/00/542516100.db2.gz HSQATZGTSBHNQF-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000353623335 542559233 /nfs/dbraw/zinc/55/92/33/542559233.db2.gz QHYIVVVPLFYFHV-CYBMUJFWSA-N 2 2 270.380 3.491 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1C ZINC000414070941 533340721 /nfs/dbraw/zinc/34/07/21/533340721.db2.gz LMGNWKVZUPHKDP-LBTNJELSSA-N 2 2 290.426 3.424 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414064952 533459174 /nfs/dbraw/zinc/45/91/74/533459174.db2.gz NTJUMSFCTIXZAG-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP Cc1cccc(CCNc2cc[nH+]c3ccccc23)[nH+]1 ZINC000359793383 542580420 /nfs/dbraw/zinc/58/04/20/542580420.db2.gz BDJXXWPBXUXIIH-UHFFFAOYSA-N 2 2 263.344 3.015 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414193776 533412165 /nfs/dbraw/zinc/41/21/65/533412165.db2.gz UVGQYVLRVXOSKM-VBQJREDUSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414193776 533412171 /nfs/dbraw/zinc/41/21/71/533412171.db2.gz UVGQYVLRVXOSKM-VBQJREDUSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423237591 533418840 /nfs/dbraw/zinc/41/88/40/533418840.db2.gz PZALLSXEQXIMBP-MFKMUULPSA-N 2 2 278.783 3.489 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422772230 533460038 /nfs/dbraw/zinc/46/00/38/533460038.db2.gz SCCOACGHTYOKJB-PBHICJAKSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)[C@H](C)[NH3+] ZINC000423452084 533507215 /nfs/dbraw/zinc/50/72/15/533507215.db2.gz VWWJPMCYKBNGSZ-TUAOUCFPSA-N 2 2 275.421 3.196 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423265968 533537422 /nfs/dbraw/zinc/53/74/22/533537422.db2.gz BMJRBLDCTCUDPB-FZKQIMNGSA-N 2 2 297.402 3.262 20 0 CGADLP CC(C)OCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909729 130038638 /nfs/dbraw/zinc/03/86/38/130038638.db2.gz TYGBHQGMHWCDJI-HNNXBMFYSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000389790477 542610165 /nfs/dbraw/zinc/61/01/65/542610165.db2.gz PLOWQDHFBFUHPP-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000389790477 542610168 /nfs/dbraw/zinc/61/01/68/542610168.db2.gz PLOWQDHFBFUHPP-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000393285598 542612543 /nfs/dbraw/zinc/61/25/43/542612543.db2.gz OWKRTZGPIMNWCZ-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000393285598 542612548 /nfs/dbraw/zinc/61/25/48/542612548.db2.gz OWKRTZGPIMNWCZ-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022106713 391944253 /nfs/dbraw/zinc/94/42/53/391944253.db2.gz WDRMZLAEQGEDJL-NSHDSACASA-N 2 2 272.314 3.062 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022106713 391944264 /nfs/dbraw/zinc/94/42/64/391944264.db2.gz WDRMZLAEQGEDJL-NSHDSACASA-N 2 2 272.314 3.062 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049574945 392054215 /nfs/dbraw/zinc/05/42/15/392054215.db2.gz GKZZEHIZIURVOA-GOSISDBHSA-N 2 2 288.435 3.222 20 0 CGADLP Fc1cc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000092659244 392232438 /nfs/dbraw/zinc/23/24/38/392232438.db2.gz VFCXCCTZGAOHFW-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000361762564 392316457 /nfs/dbraw/zinc/31/64/57/392316457.db2.gz BVXJVTYGYWUMGQ-GVXVVHGQSA-N 2 2 281.469 3.147 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000361762564 392316460 /nfs/dbraw/zinc/31/64/60/392316460.db2.gz BVXJVTYGYWUMGQ-GVXVVHGQSA-N 2 2 281.469 3.147 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)CCC2 ZINC000361665174 392290125 /nfs/dbraw/zinc/29/01/25/392290125.db2.gz VDRAPDNZSYTUOH-YDHLFZDLSA-N 2 2 275.440 3.483 20 0 CGADLP COCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC=CCC1 ZINC000361676984 392292908 /nfs/dbraw/zinc/29/29/08/392292908.db2.gz CFVZYGQBEAEDGR-INIZCTEOSA-N 2 2 299.418 3.139 20 0 CGADLP COCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC=CCC1 ZINC000361676984 392292913 /nfs/dbraw/zinc/29/29/13/392292913.db2.gz CFVZYGQBEAEDGR-INIZCTEOSA-N 2 2 299.418 3.139 20 0 CGADLP Cc1ccc(C)c(OCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000108367914 392340738 /nfs/dbraw/zinc/34/07/38/392340738.db2.gz FZOSCLZYDCTAGY-UHFFFAOYSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000245578550 131087799 /nfs/dbraw/zinc/08/77/99/131087799.db2.gz BQIJOXFEATWSDL-RISCZKNCSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)sc1C ZINC000245578550 131087800 /nfs/dbraw/zinc/08/78/00/131087800.db2.gz BQIJOXFEATWSDL-RISCZKNCSA-N 2 2 290.436 3.040 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248529870 131115418 /nfs/dbraw/zinc/11/54/18/131115418.db2.gz LOAFOZLVXYPFMZ-QAPCUYQASA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248529870 131115420 /nfs/dbraw/zinc/11/54/20/131115420.db2.gz LOAFOZLVXYPFMZ-QAPCUYQASA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000248529870 131115421 /nfs/dbraw/zinc/11/54/21/131115421.db2.gz LOAFOZLVXYPFMZ-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000248529870 131115422 /nfs/dbraw/zinc/11/54/22/131115422.db2.gz LOAFOZLVXYPFMZ-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000361922223 392362082 /nfs/dbraw/zinc/36/20/82/392362082.db2.gz HNWRDOGECBKQJT-SIIHOXLZSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000361922223 392362086 /nfs/dbraw/zinc/36/20/86/392362086.db2.gz HNWRDOGECBKQJT-SIIHOXLZSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)C[N@@H+]1C1CC1 ZINC000252714803 131137146 /nfs/dbraw/zinc/13/71/46/131137146.db2.gz SZCKZOVPUIAKRF-WWGRRREGSA-N 2 2 288.460 3.438 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)C[N@H+]1C1CC1 ZINC000252714803 131137148 /nfs/dbraw/zinc/13/71/48/131137148.db2.gz SZCKZOVPUIAKRF-WWGRRREGSA-N 2 2 288.460 3.438 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966989 392377138 /nfs/dbraw/zinc/37/71/38/392377138.db2.gz IHMBFFYJEBOEHT-ZRGWGRIASA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966989 392377143 /nfs/dbraw/zinc/37/71/43/392377143.db2.gz IHMBFFYJEBOEHT-ZRGWGRIASA-N 2 2 295.430 3.349 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCC(C)C)CCC2 ZINC000366207445 392451311 /nfs/dbraw/zinc/45/13/11/392451311.db2.gz BMBPVTMJUGKREK-DZGCQCFKSA-N 2 2 263.429 3.483 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129226173 392452170 /nfs/dbraw/zinc/45/21/70/392452170.db2.gz XRVXXDIJQPYUSY-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000371411578 392518354 /nfs/dbraw/zinc/51/83/54/392518354.db2.gz ASSUDUBDHHEOIR-CRAIPNDOSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371411578 392518359 /nfs/dbraw/zinc/51/83/59/392518359.db2.gz ASSUDUBDHHEOIR-CRAIPNDOSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000371411578 392518362 /nfs/dbraw/zinc/51/83/62/392518362.db2.gz ASSUDUBDHHEOIR-CRAIPNDOSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371411578 392518365 /nfs/dbraw/zinc/51/83/65/392518365.db2.gz ASSUDUBDHHEOIR-CRAIPNDOSA-N 2 2 298.434 3.067 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368298623 392490027 /nfs/dbraw/zinc/49/00/27/392490027.db2.gz HNWXFPBIHNTWGQ-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368298623 392490031 /nfs/dbraw/zinc/49/00/31/392490031.db2.gz HNWXFPBIHNTWGQ-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158880108 392578135 /nfs/dbraw/zinc/57/81/35/392578135.db2.gz LZFKYFPVRXVTQB-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158880108 392578140 /nfs/dbraw/zinc/57/81/40/392578140.db2.gz LZFKYFPVRXVTQB-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158880108 392578144 /nfs/dbraw/zinc/57/81/44/392578144.db2.gz LZFKYFPVRXVTQB-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158880108 392578147 /nfs/dbraw/zinc/57/81/47/392578147.db2.gz LZFKYFPVRXVTQB-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300411811 392582509 /nfs/dbraw/zinc/58/25/09/392582509.db2.gz QHNGOFAENLQMCH-IPYPFGDCSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300411811 392582515 /nfs/dbraw/zinc/58/25/15/392582515.db2.gz QHNGOFAENLQMCH-IPYPFGDCSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300518197 392583300 /nfs/dbraw/zinc/58/33/00/392583300.db2.gz KDIZGGKFVXMGHF-RRFJBIMHSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300518197 392583306 /nfs/dbraw/zinc/58/33/06/392583306.db2.gz KDIZGGKFVXMGHF-RRFJBIMHSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1ccc2[nH+]ccc(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000302239594 392613410 /nfs/dbraw/zinc/61/34/10/392613410.db2.gz XEPAIXGPRGPGSG-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000306092193 392635427 /nfs/dbraw/zinc/63/54/27/392635427.db2.gz KCVHLJKXOWIUHR-MNOVXSKESA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000306092193 392635435 /nfs/dbraw/zinc/63/54/35/392635435.db2.gz KCVHLJKXOWIUHR-MNOVXSKESA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481037 392660571 /nfs/dbraw/zinc/66/05/71/392660571.db2.gz CXKXJLQKIIEBSP-LMWSTFAQSA-N 2 2 292.389 3.426 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553631 392767686 /nfs/dbraw/zinc/76/76/86/392767686.db2.gz FQHHTMWWYSTGJE-AWEZNQCLSA-N 2 2 298.352 3.470 20 0 CGADLP Clc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553944 392767774 /nfs/dbraw/zinc/76/77/74/392767774.db2.gz NSDSVSSXCQVBGM-AWEZNQCLSA-N 2 2 264.800 3.104 20 0 CGADLP c1ccc2c(c1)ccnc2C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000647500390 392744197 /nfs/dbraw/zinc/74/41/97/392744197.db2.gz IMRDPDGKXQEVRA-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP Cc1cc(Br)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531383 392754181 /nfs/dbraw/zinc/75/41/81/392754181.db2.gz SDTDCAQYYDPBJO-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534445 392756316 /nfs/dbraw/zinc/75/63/16/392756316.db2.gz NMEOUPVWMFEROO-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534445 392756323 /nfs/dbraw/zinc/75/63/23/392756323.db2.gz NMEOUPVWMFEROO-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549271 392762134 /nfs/dbraw/zinc/76/21/34/392762134.db2.gz QCGZXNSGIUMGDF-KNPMLCFXSA-N 2 2 296.842 3.004 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349329 392698478 /nfs/dbraw/zinc/69/84/78/392698478.db2.gz KBUGCFWYBFTMPC-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349329 392698483 /nfs/dbraw/zinc/69/84/83/392698483.db2.gz KBUGCFWYBFTMPC-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCc4ccccc43)cn21 ZINC000647364665 392708181 /nfs/dbraw/zinc/70/81/81/392708181.db2.gz HUMILLQVFNNIFN-SFHVURJKSA-N 2 2 291.398 3.462 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)[C@@H]1C[C@@H]1C ZINC000647363630 392708866 /nfs/dbraw/zinc/70/88/66/392708866.db2.gz FLVZRDIFJCIPAG-MAZHCROVSA-N 2 2 271.408 3.209 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553786 392766962 /nfs/dbraw/zinc/76/69/62/392766962.db2.gz JLRVHGZGVAIHNX-CQSZACIVSA-N 2 2 298.352 3.470 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588892 392841170 /nfs/dbraw/zinc/84/11/70/392841170.db2.gz SVBAQFPOAZSHEJ-OXJNMPFZSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588892 392841175 /nfs/dbraw/zinc/84/11/75/392841175.db2.gz SVBAQFPOAZSHEJ-OXJNMPFZSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC(C)(C)[NH+](C)C ZINC000510654577 392806382 /nfs/dbraw/zinc/80/63/82/392806382.db2.gz ZKWAAJDHWFVBIQ-LBPRGKRZSA-N 2 2 284.394 3.216 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510757482 392814795 /nfs/dbraw/zinc/81/47/95/392814795.db2.gz XYGCMVSJJYKMJT-IPMKNSEASA-N 2 2 286.463 3.328 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(F)c1F ZINC000336332408 392849370 /nfs/dbraw/zinc/84/93/70/392849370.db2.gz CLCFZEPWIKKKOX-LLVKDONJSA-N 2 2 295.308 3.207 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(F)c1F ZINC000336332408 392849378 /nfs/dbraw/zinc/84/93/78/392849378.db2.gz CLCFZEPWIKKKOX-LLVKDONJSA-N 2 2 295.308 3.207 20 0 CGADLP C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000376021326 392853139 /nfs/dbraw/zinc/85/31/39/392853139.db2.gz LAUZNCNKPOXNMJ-QGZVFWFLSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000376021326 392853144 /nfs/dbraw/zinc/85/31/44/392853144.db2.gz LAUZNCNKPOXNMJ-QGZVFWFLSA-N 2 2 287.382 3.076 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000336497275 392859098 /nfs/dbraw/zinc/85/90/98/392859098.db2.gz HBSJEYRDIKKLJM-YPMHNXCESA-N 2 2 275.421 3.227 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000192942569 392864102 /nfs/dbraw/zinc/86/41/02/392864102.db2.gz HDPVWWCDRFKQFK-HBUWYVDXSA-N 2 2 285.435 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000192942569 392864107 /nfs/dbraw/zinc/86/41/07/392864107.db2.gz HDPVWWCDRFKQFK-HBUWYVDXSA-N 2 2 285.435 3.148 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336810906 392869478 /nfs/dbraw/zinc/86/94/78/392869478.db2.gz JZIWGFARIJWRGV-DVOMOZLQSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392269719 392929987 /nfs/dbraw/zinc/92/99/87/392929987.db2.gz SHZCZASAIJOVPV-CQSZACIVSA-N 2 2 278.827 3.123 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392269719 392929996 /nfs/dbraw/zinc/92/99/96/392929996.db2.gz SHZCZASAIJOVPV-CQSZACIVSA-N 2 2 278.827 3.123 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212406 542747489 /nfs/dbraw/zinc/74/74/89/542747489.db2.gz GLBNDRIOCOXGKF-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212406 542747493 /nfs/dbraw/zinc/74/74/93/542747493.db2.gz GLBNDRIOCOXGKF-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000346706580 393092766 /nfs/dbraw/zinc/09/27/66/393092766.db2.gz OBNPPKHQSWWDAQ-LJIZCISZSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000346706580 393092768 /nfs/dbraw/zinc/09/27/68/393092768.db2.gz OBNPPKHQSWWDAQ-LJIZCISZSA-N 2 2 262.441 3.170 20 0 CGADLP CC(C)[C@H](C[NH2+]C1CC(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000467735046 393109775 /nfs/dbraw/zinc/10/97/75/393109775.db2.gz WHNGAOYZCQJKOR-PPSBMQLTSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@H](C[NH2+]C1CC(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000467735046 393109783 /nfs/dbraw/zinc/10/97/83/393109783.db2.gz WHNGAOYZCQJKOR-PPSBMQLTSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541430 393105800 /nfs/dbraw/zinc/10/58/00/393105800.db2.gz GTGFFKDMKIXGMS-RHSMWYFYSA-N 2 2 262.441 3.339 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541430 393105803 /nfs/dbraw/zinc/10/58/03/393105803.db2.gz GTGFFKDMKIXGMS-RHSMWYFYSA-N 2 2 262.441 3.339 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546575114 393059429 /nfs/dbraw/zinc/05/94/29/393059429.db2.gz HEZVSXRGHMEGPO-GOSISDBHSA-N 2 2 272.436 3.249 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546575114 393059434 /nfs/dbraw/zinc/05/94/34/393059434.db2.gz HEZVSXRGHMEGPO-GOSISDBHSA-N 2 2 272.436 3.249 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000247096726 393071265 /nfs/dbraw/zinc/07/12/65/393071265.db2.gz OKRBRWZYISQQEH-JMSVASOKSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000247096726 393071274 /nfs/dbraw/zinc/07/12/74/393071274.db2.gz OKRBRWZYISQQEH-JMSVASOKSA-N 2 2 276.449 3.340 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000414969800 393073984 /nfs/dbraw/zinc/07/39/84/393073984.db2.gz JOHQIMFGNSMNPX-GFCCVEGCSA-N 2 2 287.234 3.471 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000469173366 393179752 /nfs/dbraw/zinc/17/97/52/393179752.db2.gz XXLRIRBUPQWRTC-UHFFFAOYSA-N 2 2 262.441 3.282 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000469173366 393179756 /nfs/dbraw/zinc/17/97/56/393179756.db2.gz XXLRIRBUPQWRTC-UHFFFAOYSA-N 2 2 262.441 3.282 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415051791 393114984 /nfs/dbraw/zinc/11/49/84/393114984.db2.gz MMDUESKOKYNDGD-BDJLRTHQSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415051791 393114990 /nfs/dbraw/zinc/11/49/90/393114990.db2.gz MMDUESKOKYNDGD-BDJLRTHQSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415056247 393117552 /nfs/dbraw/zinc/11/75/52/393117552.db2.gz SBWHSQRXUPDPND-DOMZBBRYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415056247 393117561 /nfs/dbraw/zinc/11/75/61/393117561.db2.gz SBWHSQRXUPDPND-DOMZBBRYSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000415055649 393117658 /nfs/dbraw/zinc/11/76/58/393117658.db2.gz OOESXJXYDXNLDC-AWEZNQCLSA-N 2 2 291.826 3.351 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000415061727 393122377 /nfs/dbraw/zinc/12/23/77/393122377.db2.gz DEFSCZRTVFSENU-CGTJXYLNSA-N 2 2 290.451 3.042 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415070390 393128047 /nfs/dbraw/zinc/12/80/47/393128047.db2.gz UVZWQDFVCTYVAK-SFHVURJKSA-N 2 2 298.430 3.437 20 0 CGADLP c1sc(C[NH2+]CCC[NH2+]C2CC2)nc1-c1ccccc1 ZINC000415072009 393130314 /nfs/dbraw/zinc/13/03/14/393130314.db2.gz VAUOVXVWPQJUHJ-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)CC[NH3+] ZINC000415100581 393145398 /nfs/dbraw/zinc/14/53/98/393145398.db2.gz ASVBWTPKECMPHA-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CC[NH3+] ZINC000415100581 393145404 /nfs/dbraw/zinc/14/54/04/393145404.db2.gz ASVBWTPKECMPHA-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000469803264 393218498 /nfs/dbraw/zinc/21/84/98/393218498.db2.gz YDYLNFRFEPRKSM-YJBOKZPZSA-N 2 2 274.452 3.328 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000277301035 393308675 /nfs/dbraw/zinc/30/86/75/393308675.db2.gz UFGIFOYBGKBAJB-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC000277301035 393308680 /nfs/dbraw/zinc/30/86/80/393308680.db2.gz UFGIFOYBGKBAJB-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000472076936 393331579 /nfs/dbraw/zinc/33/15/79/393331579.db2.gz UFRSDJXHPWCEDJ-CJNGLKHVSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000472076936 393331584 /nfs/dbraw/zinc/33/15/84/393331584.db2.gz UFRSDJXHPWCEDJ-CJNGLKHVSA-N 2 2 297.446 3.500 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000475101475 393372877 /nfs/dbraw/zinc/37/28/77/393372877.db2.gz DBJZQWPWPJEARB-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000475101475 393372884 /nfs/dbraw/zinc/37/28/84/393372884.db2.gz DBJZQWPWPJEARB-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000475101475 393372890 /nfs/dbraw/zinc/37/28/90/393372890.db2.gz DBJZQWPWPJEARB-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000475101475 393372896 /nfs/dbraw/zinc/37/28/96/393372896.db2.gz DBJZQWPWPJEARB-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649415940 393415330 /nfs/dbraw/zinc/41/53/30/393415330.db2.gz CCCAHMIKLKFBMF-CYBMUJFWSA-N 2 2 285.391 3.216 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000420381676 393480403 /nfs/dbraw/zinc/48/04/03/393480403.db2.gz ZEKLBZRXYYNQOD-GYSYKLTISA-N 2 2 286.341 3.182 20 0 CGADLP CC1CC[NH+](CCOc2cccc(-c3c[nH+]cn3C)c2)CC1 ZINC000649437458 393429223 /nfs/dbraw/zinc/42/92/23/393429223.db2.gz QVXLLKANRXTCGO-UHFFFAOYSA-N 2 2 299.418 3.198 20 0 CGADLP C[NH+](C)C1(C[NH2+]CCc2ccc(F)cc2Cl)CCC1 ZINC000356384266 393433114 /nfs/dbraw/zinc/43/31/14/393433114.db2.gz DLWSCPGQWPBESW-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[N@H+](C)C1CC1 ZINC000482561260 393439634 /nfs/dbraw/zinc/43/96/34/393439634.db2.gz ZROLJYIQLQMAAJ-GJZGRUSLSA-N 2 2 274.452 3.425 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[N@@H+](C)C1CC1 ZINC000482561260 393439637 /nfs/dbraw/zinc/43/96/37/393439637.db2.gz ZROLJYIQLQMAAJ-GJZGRUSLSA-N 2 2 274.452 3.425 20 0 CGADLP [NH3+]CCCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000420243932 393442725 /nfs/dbraw/zinc/44/27/25/393442725.db2.gz XZPAEWJKJCZZBI-UHFFFAOYSA-N 2 2 294.196 3.148 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420391438 393481906 /nfs/dbraw/zinc/48/19/06/393481906.db2.gz IHUMXEFFBXZMCZ-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420391438 393481910 /nfs/dbraw/zinc/48/19/10/393481910.db2.gz IHUMXEFFBXZMCZ-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420287183 393450432 /nfs/dbraw/zinc/45/04/32/393450432.db2.gz HNLGPBQXSMJYSB-OAHLLOKOSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420287183 393450438 /nfs/dbraw/zinc/45/04/38/393450438.db2.gz HNLGPBQXSMJYSB-OAHLLOKOSA-N 2 2 284.831 3.154 20 0 CGADLP CC[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000420378850 393478362 /nfs/dbraw/zinc/47/83/62/393478362.db2.gz XHIRTTIZSMBZIV-GVAFMPQTSA-N 2 2 264.388 3.253 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475574679 393408896 /nfs/dbraw/zinc/40/88/96/393408896.db2.gz WZQQZXSZRSEYGA-QXRTWZOPSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475574679 393408900 /nfs/dbraw/zinc/40/89/00/393408900.db2.gz WZQQZXSZRSEYGA-QXRTWZOPSA-N 2 2 290.426 3.392 20 0 CGADLP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420409551 393484711 /nfs/dbraw/zinc/48/47/11/393484711.db2.gz XHPXEQIWJLFOGU-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420409551 393484715 /nfs/dbraw/zinc/48/47/15/393484715.db2.gz XHPXEQIWJLFOGU-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP Fc1ccc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)[nH]c2c1 ZINC000488311387 393484753 /nfs/dbraw/zinc/48/47/53/393484753.db2.gz RTMJYKKHWFULLK-UHFFFAOYSA-N 2 2 298.365 3.410 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC000429719441 393497911 /nfs/dbraw/zinc/49/79/11/393497911.db2.gz LFNQKNJDPJTYBQ-UHFFFAOYSA-N 2 2 296.414 3.476 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488405879 393501018 /nfs/dbraw/zinc/50/10/18/393501018.db2.gz JOYAQHBLHDTRCC-GJZGRUSLSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488435332 393512093 /nfs/dbraw/zinc/51/20/93/393512093.db2.gz VIWAEXNBKPLOFM-KBXIAJHMSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488435332 393512098 /nfs/dbraw/zinc/51/20/98/393512098.db2.gz VIWAEXNBKPLOFM-KBXIAJHMSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CS1 ZINC000488452276 393519382 /nfs/dbraw/zinc/51/93/82/393519382.db2.gz UXMWAJTWMBZLGL-ULQDDVLXSA-N 2 2 296.524 3.371 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CS1 ZINC000488452276 393519383 /nfs/dbraw/zinc/51/93/83/393519383.db2.gz UXMWAJTWMBZLGL-ULQDDVLXSA-N 2 2 296.524 3.371 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430555204 393574094 /nfs/dbraw/zinc/57/40/94/393574094.db2.gz OKMIUUMGVAUMGF-CVEARBPZSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430555204 393574099 /nfs/dbraw/zinc/57/40/99/393574099.db2.gz OKMIUUMGVAUMGF-CVEARBPZSA-N 2 2 278.827 3.099 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666766870 542814409 /nfs/dbraw/zinc/81/44/09/542814409.db2.gz HIXUQFJRBMPVDT-OAHLLOKOSA-N 2 2 284.403 3.080 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770373 542814786 /nfs/dbraw/zinc/81/47/86/542814786.db2.gz WYOHOSDTPOOSNK-HNNXBMFYSA-N 2 2 270.376 3.178 20 0 CGADLP Clc1ccc2cccnc2c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770170 542814902 /nfs/dbraw/zinc/81/49/02/542814902.db2.gz OAHOZWUNAMFVAI-CYBMUJFWSA-N 2 2 289.810 3.120 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000666783243 542815432 /nfs/dbraw/zinc/81/54/32/542815432.db2.gz OIDRMJAAVOJREQ-ZDUSSCGKSA-N 2 2 279.453 3.032 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360854590 393599214 /nfs/dbraw/zinc/59/92/14/393599214.db2.gz KPVRQQDIEWCRCU-NWDGAFQWSA-N 2 2 284.831 3.339 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(C2CC2)c1)Cn1cc[nH+]c1 ZINC000421326047 393604897 /nfs/dbraw/zinc/60/48/97/393604897.db2.gz NAMHLLHLCDJCPV-CQSZACIVSA-N 2 2 269.392 3.186 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000424183786 393677686 /nfs/dbraw/zinc/67/76/86/393677686.db2.gz WRNUYUNUCMYXCP-WBMJQRKESA-N 2 2 271.364 3.076 20 0 CGADLP CC[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422918160 393645854 /nfs/dbraw/zinc/64/58/54/393645854.db2.gz GTCQRWGLBLZAHC-ULQDDVLXSA-N 2 2 294.414 3.024 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423024221 393648578 /nfs/dbraw/zinc/64/85/78/393648578.db2.gz IRSQVPKXXWXEDA-GLQYFDAESA-N 2 2 294.826 3.284 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423234903 393655759 /nfs/dbraw/zinc/65/57/59/393655759.db2.gz MMTYTLXLWMXOIK-DOTOQJQBSA-N 2 2 288.435 3.365 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000666909250 542825560 /nfs/dbraw/zinc/82/55/60/542825560.db2.gz AFZBYEOIPAYMJN-CYBMUJFWSA-N 2 2 278.783 3.427 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423299168 393660101 /nfs/dbraw/zinc/66/01/01/393660101.db2.gz PNUCVGMXJMRJGF-JSGCOSHPSA-N 2 2 281.419 3.060 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000361061948 393661772 /nfs/dbraw/zinc/66/17/72/393661772.db2.gz VQKDFHOTQADXDB-JZXOWHBKSA-N 2 2 290.451 3.227 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000361061948 393661777 /nfs/dbraw/zinc/66/17/77/393661777.db2.gz VQKDFHOTQADXDB-JZXOWHBKSA-N 2 2 290.451 3.227 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1F ZINC000361068473 393664065 /nfs/dbraw/zinc/66/40/65/393664065.db2.gz LNNIMLSDTBHLDI-UKRRQHHQSA-N 2 2 276.399 3.330 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc(C)c1F ZINC000361068473 393664069 /nfs/dbraw/zinc/66/40/69/393664069.db2.gz LNNIMLSDTBHLDI-UKRRQHHQSA-N 2 2 276.399 3.330 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443206696 393749582 /nfs/dbraw/zinc/74/95/82/393749582.db2.gz XHWTUTMSBRAYSO-UXLLHSPISA-N 2 2 278.440 3.001 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000433152472 393690437 /nfs/dbraw/zinc/69/04/37/393690437.db2.gz MASCPBAHBQSXMT-AWEZNQCLSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000433152472 393690440 /nfs/dbraw/zinc/69/04/40/393690440.db2.gz MASCPBAHBQSXMT-AWEZNQCLSA-N 2 2 272.436 3.211 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494408861 393775645 /nfs/dbraw/zinc/77/56/45/393775645.db2.gz XXTNPTVTEBDSPH-YMAMQOFZSA-N 2 2 261.413 3.146 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+](C)C ZINC000502269164 393871852 /nfs/dbraw/zinc/87/18/52/393871852.db2.gz AQYMVAUVMXNDJT-FPCVCCKLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666993799 542832808 /nfs/dbraw/zinc/83/28/08/542832808.db2.gz KTXURYJUYILGMM-LBPRGKRZSA-N 2 2 293.480 3.205 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453122913 394179605 /nfs/dbraw/zinc/17/96/05/394179605.db2.gz GSHHWSUWHVGJMA-INMHGKMJSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000453122913 394179607 /nfs/dbraw/zinc/17/96/07/394179607.db2.gz GSHHWSUWHVGJMA-INMHGKMJSA-N 2 2 287.451 3.008 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)C1CCC1)c1ccccc1 ZINC000453056011 394154756 /nfs/dbraw/zinc/15/47/56/394154756.db2.gz KKOKDEFUGRLQTB-MSOLQXFVSA-N 2 2 272.436 3.458 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453060540 394155962 /nfs/dbraw/zinc/15/59/62/394155962.db2.gz MQRBSSZPGRGDDI-IBGZPJMESA-N 2 2 299.462 3.214 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453060543 394156140 /nfs/dbraw/zinc/15/61/40/394156140.db2.gz MQRBSSZPGRGDDI-LJQANCHMSA-N 2 2 299.462 3.214 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC000453223395 394210513 /nfs/dbraw/zinc/21/05/13/394210513.db2.gz REHRZUFYCXBIMR-KBMXLJTQSA-N 2 2 293.455 3.445 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccccc2F)n1C ZINC000667497511 542877123 /nfs/dbraw/zinc/87/71/23/542877123.db2.gz DXLIIQWUASGWKI-NSHDSACASA-N 2 2 261.344 3.061 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccccc2F)n1C ZINC000667497511 542877126 /nfs/dbraw/zinc/87/71/26/542877126.db2.gz DXLIIQWUASGWKI-NSHDSACASA-N 2 2 261.344 3.061 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cn[nH]c1 ZINC000284064153 195973281 /nfs/dbraw/zinc/97/32/81/195973281.db2.gz KXARMQVBWKIDFM-ZIAGYGMSSA-N 2 2 286.423 3.190 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503731 542879975 /nfs/dbraw/zinc/87/99/75/542879975.db2.gz VXGAXRPDCCBXGJ-KRWDZBQOSA-N 2 2 281.403 3.475 20 0 CGADLP Fc1cccc(C[C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667533205 542885288 /nfs/dbraw/zinc/88/52/88/542885288.db2.gz JUMLYSGFHFHASU-MRXNPFEDSA-N 2 2 299.393 3.176 20 0 CGADLP Fc1cccc(C[C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667533205 542885292 /nfs/dbraw/zinc/88/52/92/542885292.db2.gz JUMLYSGFHFHASU-MRXNPFEDSA-N 2 2 299.393 3.176 20 0 CGADLP Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667533204 542886421 /nfs/dbraw/zinc/88/64/21/542886421.db2.gz JUMLYSGFHFHASU-INIZCTEOSA-N 2 2 299.393 3.176 20 0 CGADLP Fc1cccc(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667533204 542886424 /nfs/dbraw/zinc/88/64/24/542886424.db2.gz JUMLYSGFHFHASU-INIZCTEOSA-N 2 2 299.393 3.176 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000667654845 542907786 /nfs/dbraw/zinc/90/77/86/542907786.db2.gz MPQNAAJLNLTEHW-YVEFUNNKSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000667654845 542907788 /nfs/dbraw/zinc/90/77/88/542907788.db2.gz MPQNAAJLNLTEHW-YVEFUNNKSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000667670109 542912541 /nfs/dbraw/zinc/91/25/41/542912541.db2.gz DMMCEZJWBHVQCC-KDOFPFPSSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000667670109 542912543 /nfs/dbraw/zinc/91/25/43/542912543.db2.gz DMMCEZJWBHVQCC-KDOFPFPSSA-N 2 2 283.419 3.354 20 0 CGADLP CC(C)(C)C1=CC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667711892 542920963 /nfs/dbraw/zinc/92/09/63/542920963.db2.gz RZWZLIXMSBEGQV-UHFFFAOYSA-N 2 2 259.397 3.008 20 0 CGADLP CC(C)(C)C1=CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667711892 542920965 /nfs/dbraw/zinc/92/09/65/542920965.db2.gz RZWZLIXMSBEGQV-UHFFFAOYSA-N 2 2 259.397 3.008 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC=C(c3ccccc3)C1)CCC2 ZINC000668115019 542972819 /nfs/dbraw/zinc/97/28/19/542972819.db2.gz NAXZKBIBTHBWON-UHFFFAOYSA-N 2 2 279.387 3.119 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC=C(c3ccccc3)C1)CCC2 ZINC000668115019 542972821 /nfs/dbraw/zinc/97/28/21/542972821.db2.gz NAXZKBIBTHBWON-UHFFFAOYSA-N 2 2 279.387 3.119 20 0 CGADLP c1cc(C[NH+]2CC3(C2)CCCCC3)n(-c2cc[nH+]cc2)n1 ZINC000668231145 542994151 /nfs/dbraw/zinc/99/41/51/542994151.db2.gz OFJSZUYXJKQZBS-UHFFFAOYSA-N 2 2 282.391 3.033 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)n1C ZINC000668228231 542994303 /nfs/dbraw/zinc/99/43/03/542994303.db2.gz DBGHXEAKGODDFJ-HNNXBMFYSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCCC3)[C@@H]2C(C)C)n1C ZINC000668228231 542994305 /nfs/dbraw/zinc/99/43/05/542994305.db2.gz DBGHXEAKGODDFJ-HNNXBMFYSA-N 2 2 261.413 3.129 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC12CC=CC2 ZINC000668277351 543000714 /nfs/dbraw/zinc/00/07/14/543000714.db2.gz FITZZGJNVXHZMG-MRXNPFEDSA-N 2 2 271.408 3.006 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CC=CC2 ZINC000668277351 543000716 /nfs/dbraw/zinc/00/07/16/543000716.db2.gz FITZZGJNVXHZMG-MRXNPFEDSA-N 2 2 271.408 3.006 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459413 543014836 /nfs/dbraw/zinc/01/48/36/543014836.db2.gz UCCRXKOZYXNYLT-ZBFHGGJFSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459413 543014839 /nfs/dbraw/zinc/01/48/39/543014839.db2.gz UCCRXKOZYXNYLT-ZBFHGGJFSA-N 2 2 290.451 3.176 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000668458531 543015195 /nfs/dbraw/zinc/01/51/95/543015195.db2.gz FFGBFXPNSAEEQA-IXDOHACOSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000668458531 543015197 /nfs/dbraw/zinc/01/51/97/543015197.db2.gz FFGBFXPNSAEEQA-IXDOHACOSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000668430581 543012283 /nfs/dbraw/zinc/01/22/83/543012283.db2.gz KMOAZEBUJIJQMI-ZACQAIPSSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000668430581 543012288 /nfs/dbraw/zinc/01/22/88/543012288.db2.gz KMOAZEBUJIJQMI-ZACQAIPSSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2F)CC2CC2)n1C ZINC000668612995 543036229 /nfs/dbraw/zinc/03/62/29/543036229.db2.gz GKRMHZROMYNUJG-UHFFFAOYSA-N 2 2 287.382 3.280 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2F)CC2CC2)n1C ZINC000668612995 543036232 /nfs/dbraw/zinc/03/62/32/543036232.db2.gz GKRMHZROMYNUJG-UHFFFAOYSA-N 2 2 287.382 3.280 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)[nH+]1 ZINC000668630731 543038958 /nfs/dbraw/zinc/03/89/58/543038958.db2.gz LDIVZCHAJUFQQG-DOTOQJQBSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)[nH+]1 ZINC000668630731 543038960 /nfs/dbraw/zinc/03/89/60/543038960.db2.gz LDIVZCHAJUFQQG-DOTOQJQBSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)[nH+]1 ZINC000668630733 543039183 /nfs/dbraw/zinc/03/91/83/543039183.db2.gz LDIVZCHAJUFQQG-RDJZCZTQSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)[nH+]1 ZINC000668630733 543039186 /nfs/dbraw/zinc/03/91/86/543039186.db2.gz LDIVZCHAJUFQQG-RDJZCZTQSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000669680198 543116658 /nfs/dbraw/zinc/11/66/58/543116658.db2.gz YPCLJXCSVNXHTQ-WMZOPIPTSA-N 2 2 298.434 3.374 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1coc3ccccc13)CCCC2 ZINC000671194995 543162565 /nfs/dbraw/zinc/16/25/65/543162565.db2.gz SEEZNEIPXDUXIT-UHFFFAOYSA-N 2 2 281.359 3.255 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCNc3ccccc31)CCCC2 ZINC000671302844 543168769 /nfs/dbraw/zinc/16/87/69/543168769.db2.gz CVVJEXNGVJJKOX-KRWDZBQOSA-N 2 2 296.418 3.256 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384869797 397688200 /nfs/dbraw/zinc/68/82/00/397688200.db2.gz FZIKKCSPUGESHL-OEUWWYETSA-N 2 2 285.391 3.089 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000562838210 397712326 /nfs/dbraw/zinc/71/23/26/397712326.db2.gz NHTUSLZQERXSTR-NSHDSACASA-N 2 2 279.334 3.487 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562832417 397712353 /nfs/dbraw/zinc/71/23/53/397712353.db2.gz DVUGHWUBIUPLEK-GOSISDBHSA-N 2 2 281.403 3.123 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650712024 397899269 /nfs/dbraw/zinc/89/92/69/397899269.db2.gz NFQSZPCXFOBIGW-OLZOCXBDSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650712024 397899273 /nfs/dbraw/zinc/89/92/73/397899273.db2.gz NFQSZPCXFOBIGW-OLZOCXBDSA-N 2 2 281.469 3.216 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000675103125 543315162 /nfs/dbraw/zinc/31/51/62/543315162.db2.gz JFMSQHZIOKOUPM-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000675103125 543315164 /nfs/dbraw/zinc/31/51/64/543315164.db2.gz JFMSQHZIOKOUPM-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767311 543362102 /nfs/dbraw/zinc/36/21/02/543362102.db2.gz SJKHJEOBAAAYLS-NEPJUHHUSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767311 543362106 /nfs/dbraw/zinc/36/21/06/543362106.db2.gz SJKHJEOBAAAYLS-NEPJUHHUSA-N 2 2 286.872 3.406 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675766648 543362475 /nfs/dbraw/zinc/36/24/75/543362475.db2.gz NECSXIPJFSKPBI-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675766648 543362477 /nfs/dbraw/zinc/36/24/77/543362477.db2.gz NECSXIPJFSKPBI-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000675732880 543358703 /nfs/dbraw/zinc/35/87/03/543358703.db2.gz MFVWKIXUWQHMGH-APWZRJJASA-N 2 2 286.463 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000675732880 543358704 /nfs/dbraw/zinc/35/87/04/543358704.db2.gz MFVWKIXUWQHMGH-APWZRJJASA-N 2 2 286.463 3.308 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917462 543373076 /nfs/dbraw/zinc/37/30/76/543373076.db2.gz BTCWHRUDZSAABK-GOEBONIOSA-N 2 2 271.408 3.338 20 0 CGADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477354 543399171 /nfs/dbraw/zinc/39/91/71/543399171.db2.gz IWLOMTQDIHIHIV-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477354 543399173 /nfs/dbraw/zinc/39/91/73/543399173.db2.gz IWLOMTQDIHIHIV-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP CC(C)C[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000552625344 289194480 /nfs/dbraw/zinc/19/44/80/289194480.db2.gz KUXPNZCGCUSAMY-OAGGEKHMSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000552625344 289194482 /nfs/dbraw/zinc/19/44/82/289194482.db2.gz KUXPNZCGCUSAMY-OAGGEKHMSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000552625344 289194484 /nfs/dbraw/zinc/19/44/84/289194484.db2.gz KUXPNZCGCUSAMY-OAGGEKHMSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000552625344 289194485 /nfs/dbraw/zinc/19/44/85/289194485.db2.gz KUXPNZCGCUSAMY-OAGGEKHMSA-N 2 2 252.446 3.368 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C ZINC000677152956 543437576 /nfs/dbraw/zinc/43/75/76/543437576.db2.gz KIUOLXVEDOJLDX-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1C ZINC000677152956 543437578 /nfs/dbraw/zinc/43/75/78/543437578.db2.gz KIUOLXVEDOJLDX-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP CC[C@H](COC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806969 543466509 /nfs/dbraw/zinc/46/65/09/543466509.db2.gz WKEZGBVQBZXQER-IAGOWNOFSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806969 543466512 /nfs/dbraw/zinc/46/65/12/543466512.db2.gz WKEZGBVQBZXQER-IAGOWNOFSA-N 2 2 290.451 3.054 20 0 CGADLP COCC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805488 543466719 /nfs/dbraw/zinc/46/67/19/543466719.db2.gz MUNQJNSXHVRXGW-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP COCC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805488 543466720 /nfs/dbraw/zinc/46/67/20/543466720.db2.gz MUNQJNSXHVRXGW-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846721 543468625 /nfs/dbraw/zinc/46/86/25/543468625.db2.gz UAOADVPSSNJUOK-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846721 543468628 /nfs/dbraw/zinc/46/86/28/543468628.db2.gz UAOADVPSSNJUOK-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000678080760 543482521 /nfs/dbraw/zinc/48/25/21/543482521.db2.gz MFHMDIJZZDHDMN-CRAIPNDOSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000678080760 543482525 /nfs/dbraw/zinc/48/25/25/543482525.db2.gz MFHMDIJZZDHDMN-CRAIPNDOSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nccc3ccccc32)CC[N@@H+]1C ZINC000678277529 543509968 /nfs/dbraw/zinc/50/99/68/543509968.db2.gz AGRNZRBEFUZBFW-GDBMZVCRSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nccc3ccccc32)CC[N@H+]1C ZINC000678277529 543509969 /nfs/dbraw/zinc/50/99/69/543509969.db2.gz AGRNZRBEFUZBFW-GDBMZVCRSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277529 543509970 /nfs/dbraw/zinc/50/99/70/543509970.db2.gz AGRNZRBEFUZBFW-GDBMZVCRSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277529 543509971 /nfs/dbraw/zinc/50/99/71/543509971.db2.gz AGRNZRBEFUZBFW-GDBMZVCRSA-N 2 2 283.419 3.149 20 0 CGADLP CC[N@H+](CCC1CC[NH+](CC(F)F)CC1)CC1CC1 ZINC000678469827 543528882 /nfs/dbraw/zinc/52/88/82/543528882.db2.gz RGZYODRARNBCRQ-UHFFFAOYSA-N 2 2 274.399 3.086 20 0 CGADLP CC[N@@H+](CCC1CC[NH+](CC(F)F)CC1)CC1CC1 ZINC000678469827 543528884 /nfs/dbraw/zinc/52/88/84/543528884.db2.gz RGZYODRARNBCRQ-UHFFFAOYSA-N 2 2 274.399 3.086 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955886 543577481 /nfs/dbraw/zinc/57/74/81/543577481.db2.gz FHPNMGWFAFYGNP-DYVFJYSZSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955886 543577482 /nfs/dbraw/zinc/57/74/82/543577482.db2.gz FHPNMGWFAFYGNP-DYVFJYSZSA-N 2 2 276.399 3.003 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423066798 286376169 /nfs/dbraw/zinc/37/61/69/286376169.db2.gz XYRUOTFSFWSULY-WCZJQEMASA-N 2 2 288.435 3.267 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344086292 286387968 /nfs/dbraw/zinc/38/79/68/286387968.db2.gz BOUXGYXWIOSRAX-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344086292 286387969 /nfs/dbraw/zinc/38/79/69/286387969.db2.gz BOUXGYXWIOSRAX-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344086244 286390012 /nfs/dbraw/zinc/39/00/12/286390012.db2.gz BOUXGYXWIOSRAX-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C12CCC2 ZINC000344086244 286390013 /nfs/dbraw/zinc/39/00/13/286390013.db2.gz BOUXGYXWIOSRAX-LTIDMASMSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CCC[NH2+]1 ZINC000423024024 287057986 /nfs/dbraw/zinc/05/79/86/287057986.db2.gz IKGWJXVNUHWYSH-KCPJHIHWSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070101651 165055654 /nfs/dbraw/zinc/05/56/54/165055654.db2.gz TZBVSMWJELKEFZ-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070101651 165055658 /nfs/dbraw/zinc/05/56/58/165055658.db2.gz TZBVSMWJELKEFZ-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000076004147 165103815 /nfs/dbraw/zinc/10/38/15/165103815.db2.gz NECAYLXOCMFHEO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000076004147 165103825 /nfs/dbraw/zinc/10/38/25/165103825.db2.gz NECAYLXOCMFHEO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000079742732 165150630 /nfs/dbraw/zinc/15/06/30/165150630.db2.gz JDODBPBQHSHBNA-NVXWUHKLSA-N 2 2 287.451 3.214 20 0 CGADLP COCCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090536065 165239615 /nfs/dbraw/zinc/23/96/15/165239615.db2.gz JGNMRKSYVLFCAL-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP CCCOc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000091671090 165263850 /nfs/dbraw/zinc/26/38/50/165263850.db2.gz KBNGQCLCUTXMHW-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959695 165278109 /nfs/dbraw/zinc/27/81/09/165278109.db2.gz RHRPKNKQEMCXDS-CRAIPNDOSA-N 2 2 299.418 3.365 20 0 CGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959695 165278111 /nfs/dbraw/zinc/27/81/11/165278111.db2.gz RHRPKNKQEMCXDS-CRAIPNDOSA-N 2 2 299.418 3.365 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000092165304 165284165 /nfs/dbraw/zinc/28/41/65/165284165.db2.gz OEKCCQQILYYXOM-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000092165304 165284168 /nfs/dbraw/zinc/28/41/68/165284168.db2.gz OEKCCQQILYYXOM-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253688 165287269 /nfs/dbraw/zinc/28/72/69/165287269.db2.gz PZLLMYRPWJSBPK-IIAWOOMASA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253688 165287272 /nfs/dbraw/zinc/28/72/72/165287272.db2.gz PZLLMYRPWJSBPK-IIAWOOMASA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000092253688 165287274 /nfs/dbraw/zinc/28/72/74/165287274.db2.gz PZLLMYRPWJSBPK-IIAWOOMASA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000092253688 165287278 /nfs/dbraw/zinc/28/72/78/165287278.db2.gz PZLLMYRPWJSBPK-IIAWOOMASA-N 2 2 276.424 3.177 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000092588008 165303327 /nfs/dbraw/zinc/30/33/27/165303327.db2.gz IZYJMWFDMCZMJP-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000092588008 165303330 /nfs/dbraw/zinc/30/33/30/165303330.db2.gz IZYJMWFDMCZMJP-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000092588008 165303332 /nfs/dbraw/zinc/30/33/32/165303332.db2.gz IZYJMWFDMCZMJP-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000092588008 165303335 /nfs/dbraw/zinc/30/33/35/165303335.db2.gz IZYJMWFDMCZMJP-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000092588007 165303744 /nfs/dbraw/zinc/30/37/44/165303744.db2.gz IZYJMWFDMCZMJP-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000092588007 165303748 /nfs/dbraw/zinc/30/37/48/165303748.db2.gz IZYJMWFDMCZMJP-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000092588007 165303751 /nfs/dbraw/zinc/30/37/51/165303751.db2.gz IZYJMWFDMCZMJP-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000092588007 165303753 /nfs/dbraw/zinc/30/37/53/165303753.db2.gz IZYJMWFDMCZMJP-HZPDHXFCSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648710 165306758 /nfs/dbraw/zinc/30/67/58/165306758.db2.gz XDYGFGFVNRDDNQ-BBRMVZONSA-N 2 2 285.391 3.437 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1Cl ZINC000094266966 165347280 /nfs/dbraw/zinc/34/72/80/165347280.db2.gz HMNVLSDGXKDLSD-NSHDSACASA-N 2 2 253.777 3.021 20 0 CGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094339010 165350769 /nfs/dbraw/zinc/35/07/69/165350769.db2.gz TXNXJMJYPBMOGN-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094339010 165350774 /nfs/dbraw/zinc/35/07/74/165350774.db2.gz TXNXJMJYPBMOGN-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccoc1 ZINC000094869054 287123351 /nfs/dbraw/zinc/12/33/51/287123351.db2.gz SMCPPDLCHNQFCP-LBPRGKRZSA-N 2 2 250.386 3.193 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000367209050 287157875 /nfs/dbraw/zinc/15/78/75/287157875.db2.gz ZETZREHKHSZFQT-WQCNXYOZSA-N 2 2 299.462 3.385 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000122293268 287208505 /nfs/dbraw/zinc/20/85/05/287208505.db2.gz VAVZJNDKUMBZFL-OCCSQVGLSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C[N@H+]1C1CC1 ZINC000122293268 287208507 /nfs/dbraw/zinc/20/85/07/287208507.db2.gz VAVZJNDKUMBZFL-OCCSQVGLSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1CC=CCC1 ZINC000020186735 171050817 /nfs/dbraw/zinc/05/08/17/171050817.db2.gz KARGWGIXCMIQOA-HNNXBMFYSA-N 2 2 269.392 3.291 20 0 CGADLP CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020188947 171054718 /nfs/dbraw/zinc/05/47/18/171054718.db2.gz CQLMOESOVKJLIE-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]c1 ZINC000021012664 171288234 /nfs/dbraw/zinc/28/82/34/171288234.db2.gz XDKPGBUZIZOSIX-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000035275167 172095774 /nfs/dbraw/zinc/09/57/74/172095774.db2.gz KKXRRJRDRWURMU-SNVBAGLBSA-N 2 2 284.190 3.368 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccccc2)on1 ZINC000285172235 196213420 /nfs/dbraw/zinc/21/34/20/196213420.db2.gz VEAJOLCLYBQWOC-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(-c2ccccc2)on1 ZINC000285172235 196213421 /nfs/dbraw/zinc/21/34/21/196213421.db2.gz VEAJOLCLYBQWOC-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000285252987 196233562 /nfs/dbraw/zinc/23/35/62/196233562.db2.gz AQUCLAIGMOJZSY-OKZBNKHCSA-N 2 2 281.403 3.151 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000285252987 196233563 /nfs/dbraw/zinc/23/35/63/196233563.db2.gz AQUCLAIGMOJZSY-OKZBNKHCSA-N 2 2 281.403 3.151 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C(C1CC1)C1CC1 ZINC000037466783 173226603 /nfs/dbraw/zinc/22/66/03/173226603.db2.gz RSUBXRBKLDRSEI-UHFFFAOYSA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000038029035 174018760 /nfs/dbraw/zinc/01/87/60/174018760.db2.gz QVEBOQUEHHBRSJ-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)c1 ZINC000040500491 174297188 /nfs/dbraw/zinc/29/71/88/174297188.db2.gz AEUYQRINEDYSJD-OAHLLOKOSA-N 2 2 262.441 3.246 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000040727018 174387539 /nfs/dbraw/zinc/38/75/39/174387539.db2.gz HPSBYHYNADLGKX-INIZCTEOSA-N 2 2 284.407 3.280 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000041631405 174587294 /nfs/dbraw/zinc/58/72/94/174587294.db2.gz ZOSYQXZJYBGKLR-RYUDHWBXSA-N 2 2 263.410 3.246 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H](C)c1ccccc1 ZINC000128225101 287306209 /nfs/dbraw/zinc/30/62/09/287306209.db2.gz HZVBONANMKQWCY-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314638 176120832 /nfs/dbraw/zinc/12/08/32/176120832.db2.gz WVZGQDUFOQCJIS-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP CCC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314638 176120833 /nfs/dbraw/zinc/12/08/33/176120833.db2.gz WVZGQDUFOQCJIS-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000334540787 224844343 /nfs/dbraw/zinc/84/43/43/224844343.db2.gz LSDQTRUYAPUUKU-HOTGVXAUSA-N 2 2 285.366 3.284 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC3 ZINC000679342558 543623800 /nfs/dbraw/zinc/62/38/00/543623800.db2.gz UXCNVHPCZKSWRL-HUUCEWRRSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC3 ZINC000679342558 543623802 /nfs/dbraw/zinc/62/38/02/543623802.db2.gz UXCNVHPCZKSWRL-HUUCEWRRSA-N 2 2 297.446 3.017 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000680329150 543697420 /nfs/dbraw/zinc/69/74/20/543697420.db2.gz LUAWIDWFMVBNSN-ZDUSSCGKSA-N 2 2 290.436 3.300 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000680329150 543697422 /nfs/dbraw/zinc/69/74/22/543697422.db2.gz LUAWIDWFMVBNSN-ZDUSSCGKSA-N 2 2 290.436 3.300 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000679989074 543672339 /nfs/dbraw/zinc/67/23/39/543672339.db2.gz OQRQVIHSBPQPDJ-UKRRQHHQSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000679989074 543672341 /nfs/dbraw/zinc/67/23/41/543672341.db2.gz OQRQVIHSBPQPDJ-UKRRQHHQSA-N 2 2 278.465 3.023 20 0 CGADLP Fc1cccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000680050041 543680451 /nfs/dbraw/zinc/68/04/51/543680451.db2.gz KRLZUVOIPUUYNZ-CQSZACIVSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000680050041 543680452 /nfs/dbraw/zinc/68/04/52/543680452.db2.gz KRLZUVOIPUUYNZ-CQSZACIVSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130449411 287356033 /nfs/dbraw/zinc/35/60/33/287356033.db2.gz FXWPUDHEJJAVHR-CMPLNLGQSA-N 2 2 282.790 3.194 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccoc1 ZINC000681783996 543808449 /nfs/dbraw/zinc/80/84/49/543808449.db2.gz UHXVSKSNZXHMCM-UHFFFAOYSA-N 2 2 258.365 3.438 20 0 CGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000682780890 543868113 /nfs/dbraw/zinc/86/81/13/543868113.db2.gz PIGUMFHEPNBQCJ-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684114344 543968030 /nfs/dbraw/zinc/96/80/30/543968030.db2.gz YYPNQYKOXANVPU-UKRRQHHQSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684114344 543968031 /nfs/dbraw/zinc/96/80/31/543968031.db2.gz YYPNQYKOXANVPU-UKRRQHHQSA-N 2 2 280.481 3.389 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)n1 ZINC000684559961 544013419 /nfs/dbraw/zinc/01/34/19/544013419.db2.gz CBTIUZBWWOHWRE-KLAILNCOSA-N 2 2 287.451 3.366 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684376651 543988243 /nfs/dbraw/zinc/98/82/43/543988243.db2.gz MKRRLZJXJIQMBR-ZACQAIPSSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684376651 543988245 /nfs/dbraw/zinc/98/82/45/543988245.db2.gz MKRRLZJXJIQMBR-ZACQAIPSSA-N 2 2 264.457 3.275 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000684374719 543988387 /nfs/dbraw/zinc/98/83/87/543988387.db2.gz UKLRWABRNPCFNK-KURKYZTESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@@H](F)C2)c[nH+]1 ZINC000684392470 543991830 /nfs/dbraw/zinc/99/18/30/543991830.db2.gz KEYYVACRKPIMFK-DOMZBBRYSA-N 2 2 250.361 3.003 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c[nH+]1 ZINC000684392470 543991833 /nfs/dbraw/zinc/99/18/33/543991833.db2.gz KEYYVACRKPIMFK-DOMZBBRYSA-N 2 2 250.361 3.003 20 0 CGADLP CC[N@@H+](Cc1nccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456477 544073518 /nfs/dbraw/zinc/07/35/18/544073518.db2.gz YWTYSFOMWDWCPI-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@@H](C)CCCC[NH3+] ZINC000665236484 419087693 /nfs/dbraw/zinc/08/76/93/419087693.db2.gz NQPDLRKUBPYEAV-ZDUSSCGKSA-N 2 2 250.386 3.241 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cscn1 ZINC000665240347 419088490 /nfs/dbraw/zinc/08/84/90/419088490.db2.gz IRHSXSOGQAKUCA-FRRDWIJNSA-N 2 2 267.442 3.105 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000665250702 419092147 /nfs/dbraw/zinc/09/21/47/419092147.db2.gz ZSXGKJJCQCMTBO-ATZDWAIDSA-N 2 2 280.415 3.483 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251758 419093475 /nfs/dbraw/zinc/09/34/75/419093475.db2.gz YILVQBAPCFRKDR-SZVBFZGTSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1 ZINC000665257312 419095019 /nfs/dbraw/zinc/09/50/19/419095019.db2.gz FWZJQNNRMPCKLQ-FSPWUOQZSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1Cl ZINC000665277034 419100075 /nfs/dbraw/zinc/10/00/75/419100075.db2.gz RKYXKQHGIXKCEU-NAUIOFCNSA-N 2 2 285.218 3.396 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccsc2S1 ZINC000665277808 419100365 /nfs/dbraw/zinc/10/03/65/419100365.db2.gz MGJNIUHWFALASY-XQXUWNMESA-N 2 2 280.462 3.015 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000665295708 419109351 /nfs/dbraw/zinc/10/93/51/419109351.db2.gz HUVAWJJNMFWTQO-CJNGLKHVSA-N 2 2 276.424 3.221 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665298588 419111086 /nfs/dbraw/zinc/11/10/86/419111086.db2.gz YNVFRRLIFYUFSW-KBPBESRZSA-N 2 2 264.413 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000665296664 419111116 /nfs/dbraw/zinc/11/11/16/419111116.db2.gz WCAPZHVVBUQNMZ-STQMWFEESA-N 2 2 260.381 3.308 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000665296824 419111180 /nfs/dbraw/zinc/11/11/80/419111180.db2.gz YIQDCIMMSQXDFM-NHYWBVRUSA-N 2 2 250.386 3.017 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000655848222 419117899 /nfs/dbraw/zinc/11/78/99/419117899.db2.gz HMPHBAMXUPPVAK-XKQJLSEDSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000655848222 419117901 /nfs/dbraw/zinc/11/79/01/419117901.db2.gz HMPHBAMXUPPVAK-XKQJLSEDSA-N 2 2 276.399 3.493 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]1 ZINC000655857390 419125259 /nfs/dbraw/zinc/12/52/59/419125259.db2.gz UDNDTSIRUZICDO-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[nH]1 ZINC000655857390 419125261 /nfs/dbraw/zinc/12/52/61/419125261.db2.gz UDNDTSIRUZICDO-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848953 419120865 /nfs/dbraw/zinc/12/08/65/419120865.db2.gz MKEXCJZVDKYWLZ-JDEYZFBPSA-N 2 2 292.467 3.085 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848953 419120867 /nfs/dbraw/zinc/12/08/67/419120867.db2.gz MKEXCJZVDKYWLZ-JDEYZFBPSA-N 2 2 292.467 3.085 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655855637 419122721 /nfs/dbraw/zinc/12/27/21/419122721.db2.gz FQJOSUZTDDPOFU-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655855637 419122722 /nfs/dbraw/zinc/12/27/22/419122722.db2.gz FQJOSUZTDDPOFU-IRXDYDNUSA-N 2 2 258.409 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nsc3ccccc32)CC[N@@H+]1C ZINC000659983682 419052612 /nfs/dbraw/zinc/05/26/12/419052612.db2.gz SISIUKLLRSWXGI-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nsc3ccccc32)CC[N@H+]1C ZINC000659983682 419052613 /nfs/dbraw/zinc/05/26/13/419052613.db2.gz SISIUKLLRSWXGI-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983682 419052615 /nfs/dbraw/zinc/05/26/15/419052615.db2.gz SISIUKLLRSWXGI-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983682 419052617 /nfs/dbraw/zinc/05/26/17/419052617.db2.gz SISIUKLLRSWXGI-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655855201 419123315 /nfs/dbraw/zinc/12/33/15/419123315.db2.gz DVMGVCVUEQNCDW-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655855201 419123319 /nfs/dbraw/zinc/12/33/19/419123319.db2.gz DVMGVCVUEQNCDW-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP C[N@@H+](CCCc1c(F)cccc1F)CCCn1cc[nH+]c1 ZINC000653593425 419055881 /nfs/dbraw/zinc/05/58/81/419055881.db2.gz AEMGBGWIHBSQNP-UHFFFAOYSA-N 2 2 293.361 3.116 20 0 CGADLP C[N@H+](CCCc1c(F)cccc1F)CCCn1cc[nH+]c1 ZINC000653593425 419055883 /nfs/dbraw/zinc/05/58/83/419055883.db2.gz AEMGBGWIHBSQNP-UHFFFAOYSA-N 2 2 293.361 3.116 20 0 CGADLP CCC1(C)CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655720704 419077072 /nfs/dbraw/zinc/07/70/72/419077072.db2.gz DHDHSHUROJFRIL-IIIMJFFVSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(Cl)c1 ZINC000655940612 419129386 /nfs/dbraw/zinc/12/93/86/419129386.db2.gz DIFWZFKQQZLPBL-ZDUSSCGKSA-N 2 2 254.805 3.111 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000656276551 419164198 /nfs/dbraw/zinc/16/41/98/419164198.db2.gz HAXGQLZPMDKKFT-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000656276551 419164201 /nfs/dbraw/zinc/16/42/01/419164201.db2.gz HAXGQLZPMDKKFT-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661073 419177699 /nfs/dbraw/zinc/17/76/99/419177699.db2.gz BPXXZGZXYVNDDF-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661073 419177702 /nfs/dbraw/zinc/17/77/02/419177702.db2.gz BPXXZGZXYVNDDF-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661073 419177705 /nfs/dbraw/zinc/17/77/05/419177705.db2.gz BPXXZGZXYVNDDF-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661073 419177709 /nfs/dbraw/zinc/17/77/09/419177709.db2.gz BPXXZGZXYVNDDF-KBXCAEBGSA-N 2 2 299.418 3.307 20 0 CGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345899 419255974 /nfs/dbraw/zinc/25/59/74/419255974.db2.gz TZRROVJOWZCDLO-ZFWWWQNUSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000656677532 419198371 /nfs/dbraw/zinc/19/83/71/419198371.db2.gz ULKOUJMLBGSFCL-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000656677532 419198373 /nfs/dbraw/zinc/19/83/73/419198373.db2.gz ULKOUJMLBGSFCL-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP c1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)no1 ZINC000660853550 419203819 /nfs/dbraw/zinc/20/38/19/419203819.db2.gz BCKVDHRTXQZVJI-UHFFFAOYSA-N 2 2 296.374 3.006 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000656791941 419220581 /nfs/dbraw/zinc/22/05/81/419220581.db2.gz MMUAFIYHBXXGPN-SFHVURJKSA-N 2 2 290.451 3.047 20 0 CGADLP COc1cccc([C@@]2(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000656791941 419220583 /nfs/dbraw/zinc/22/05/83/419220583.db2.gz MMUAFIYHBXXGPN-SFHVURJKSA-N 2 2 290.451 3.047 20 0 CGADLP Nc1cc(C[N@@H+]2CCCC3(CCCC3)CC2)cc[nH+]1 ZINC000661231865 419241695 /nfs/dbraw/zinc/24/16/95/419241695.db2.gz VHRMKGDGWRENTO-UHFFFAOYSA-N 2 2 259.397 3.210 20 0 CGADLP Nc1cc(C[N@H+]2CCCC3(CCCC3)CC2)cc[nH+]1 ZINC000661231865 419241696 /nfs/dbraw/zinc/24/16/96/419241696.db2.gz VHRMKGDGWRENTO-UHFFFAOYSA-N 2 2 259.397 3.210 20 0 CGADLP CC(C)(F)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657644385 419318297 /nfs/dbraw/zinc/31/82/97/419318297.db2.gz HRHGVFDWVXRQLG-UHFFFAOYSA-N 2 2 261.344 3.100 20 0 CGADLP CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCCC1 ZINC000657436882 419278467 /nfs/dbraw/zinc/27/84/67/419278467.db2.gz UYQFEUKTZSULSY-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP CC(C)(F)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657645388 419318527 /nfs/dbraw/zinc/31/85/27/419318527.db2.gz UNKUOJZHIBGFAX-UHFFFAOYSA-N 2 2 284.341 3.131 20 0 CGADLP CC1CCC(C)(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657457583 419283755 /nfs/dbraw/zinc/28/37/55/419283755.db2.gz ZRLNAHXEMLUMAN-UHFFFAOYSA-N 2 2 261.413 3.135 20 0 CGADLP Fc1ccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657474117 419287464 /nfs/dbraw/zinc/28/74/64/419287464.db2.gz YDYWMAPARMSSTE-CTYIDZIISA-N 2 2 285.366 3.004 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657497476 419294482 /nfs/dbraw/zinc/29/44/82/419294482.db2.gz YAZOUBFOFUFWKK-KGLIPLIRSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657500893 419295534 /nfs/dbraw/zinc/29/55/34/419295534.db2.gz OTIDERZEPPUIMW-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657500893 419295536 /nfs/dbraw/zinc/29/55/36/419295536.db2.gz OTIDERZEPPUIMW-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP Cc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)cc1 ZINC000657501287 419295570 /nfs/dbraw/zinc/29/55/70/419295570.db2.gz WEQAQUBGMOTCQX-UHFFFAOYSA-N 2 2 281.403 3.307 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000657524484 419297384 /nfs/dbraw/zinc/29/73/84/419297384.db2.gz POKRYFUCSLISLJ-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000657524484 419297386 /nfs/dbraw/zinc/29/73/86/419297386.db2.gz POKRYFUCSLISLJ-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2F)C(C)C)n1C ZINC000657614789 419314344 /nfs/dbraw/zinc/31/43/44/419314344.db2.gz QPKWVXKEBITYPR-INIZCTEOSA-N 2 2 275.371 3.355 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000657667322 419324337 /nfs/dbraw/zinc/32/43/37/419324337.db2.gz ZYUSXNMGMNAYHP-VNQPRFMTSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000657667322 419324340 /nfs/dbraw/zinc/32/43/40/419324340.db2.gz ZYUSXNMGMNAYHP-VNQPRFMTSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657664475 419322203 /nfs/dbraw/zinc/32/22/03/419322203.db2.gz KRCLXIATWWOURF-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657664475 419322206 /nfs/dbraw/zinc/32/22/06/419322206.db2.gz KRCLXIATWWOURF-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cccn2c(C[NH2+]C(C)(C3CC3)C3CC3)c[nH+]c12 ZINC000657756582 419338480 /nfs/dbraw/zinc/33/84/80/419338480.db2.gz UNOSZWPKCVLCFY-UHFFFAOYSA-N 2 2 269.392 3.311 20 0 CGADLP FCC1(CF)CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000657848384 419388079 /nfs/dbraw/zinc/38/80/79/419388079.db2.gz OXXGCMQIUPKBQU-UHFFFAOYSA-N 2 2 291.345 3.050 20 0 CGADLP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326532 419393831 /nfs/dbraw/zinc/39/38/31/419393831.db2.gz VMBFOLCVZLYYMC-DAXOMENPSA-N 2 2 264.388 3.242 20 0 CGADLP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662326532 419393835 /nfs/dbraw/zinc/39/38/35/419393835.db2.gz VMBFOLCVZLYYMC-DAXOMENPSA-N 2 2 264.388 3.242 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657824776 419375338 /nfs/dbraw/zinc/37/53/38/419375338.db2.gz LOVFNSGCIKGGSQ-NSHDSACASA-N 2 2 283.366 3.154 20 0 CGADLP CC1(C)[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)[C@@H]2CCC[C@@H]21 ZINC000657834358 419379860 /nfs/dbraw/zinc/37/98/60/419379860.db2.gz UDVNIYXRDFNWBF-HLLBOEOZSA-N 2 2 283.419 3.291 20 0 CGADLP C[N@H+](CCSc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000662294004 419384218 /nfs/dbraw/zinc/38/42/18/419384218.db2.gz ZFOSASTYAAJJPM-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP C[N@@H+](CCSc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000662294004 419384224 /nfs/dbraw/zinc/38/42/24/419384224.db2.gz ZFOSASTYAAJJPM-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP C[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)CC(C)(C)[NH3+] ZINC000662294751 419384728 /nfs/dbraw/zinc/38/47/28/419384728.db2.gz MKZWLDRKKFDPRY-GDBMZVCRSA-N 2 2 260.425 3.239 20 0 CGADLP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)C1)CC(C)(C)[NH3+] ZINC000662294751 419384730 /nfs/dbraw/zinc/38/47/30/419384730.db2.gz MKZWLDRKKFDPRY-GDBMZVCRSA-N 2 2 260.425 3.239 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C(C)(C)C(F)F ZINC000657994758 419486570 /nfs/dbraw/zinc/48/65/70/419486570.db2.gz WMMQQUWNKNICRL-GFCCVEGCSA-N 2 2 276.415 3.378 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C(C)(C)C(F)F ZINC000657994758 419486575 /nfs/dbraw/zinc/48/65/75/419486575.db2.gz WMMQQUWNKNICRL-GFCCVEGCSA-N 2 2 276.415 3.378 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCSCC3)[nH+]c12 ZINC000657900937 419422155 /nfs/dbraw/zinc/42/21/55/419422155.db2.gz UZXRDZIYOSWHGE-AWEZNQCLSA-N 2 2 289.448 3.061 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658060470 419533230 /nfs/dbraw/zinc/53/32/30/419533230.db2.gz ZRSZRVOETPBDBD-TZMCWYRMSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658060470 419533234 /nfs/dbraw/zinc/53/32/34/419533234.db2.gz ZRSZRVOETPBDBD-TZMCWYRMSA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000658059474 419533338 /nfs/dbraw/zinc/53/33/38/419533338.db2.gz JPEAFJOODNALSN-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000658059474 419533344 /nfs/dbraw/zinc/53/33/44/419533344.db2.gz JPEAFJOODNALSN-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP Fc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1F ZINC000663345218 419568218 /nfs/dbraw/zinc/56/82/18/419568218.db2.gz HDPKMWVOFHZGJI-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1F ZINC000663345218 419568226 /nfs/dbraw/zinc/56/82/26/419568226.db2.gz HDPKMWVOFHZGJI-CQSZACIVSA-N 2 2 294.389 3.176 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000658077959 419548620 /nfs/dbraw/zinc/54/86/20/419548620.db2.gz SJAYBPDTTWSEJL-XKQJLSEDSA-N 2 2 290.426 3.362 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000658077959 419548629 /nfs/dbraw/zinc/54/86/29/419548629.db2.gz SJAYBPDTTWSEJL-XKQJLSEDSA-N 2 2 290.426 3.362 20 0 CGADLP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186322290 287556906 /nfs/dbraw/zinc/55/69/06/287556906.db2.gz MVNVXDMYCKJDTM-FOIQADDNSA-N 2 2 294.442 3.435 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000658096487 419573246 /nfs/dbraw/zinc/57/32/46/419573246.db2.gz QJWQMPROVBBIMN-IRXDYDNUSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000658096487 419573254 /nfs/dbraw/zinc/57/32/54/419573254.db2.gz QJWQMPROVBBIMN-IRXDYDNUSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000663357861 419577271 /nfs/dbraw/zinc/57/72/71/419577271.db2.gz IUQZZKYSRMOSFB-WDEREUQCSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@H+]1C1CC1 ZINC000663357861 419577280 /nfs/dbraw/zinc/57/72/80/419577280.db2.gz IUQZZKYSRMOSFB-WDEREUQCSA-N 2 2 278.362 3.180 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000663508426 419641232 /nfs/dbraw/zinc/64/12/32/419641232.db2.gz QBMXKCZHXAXZCI-ZDUSSCGKSA-N 2 2 274.433 3.421 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000658229680 419689965 /nfs/dbraw/zinc/68/99/65/419689965.db2.gz GAXLLLPOTQIOBE-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000658229680 419689970 /nfs/dbraw/zinc/68/99/70/419689970.db2.gz GAXLLLPOTQIOBE-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000663819562 419727633 /nfs/dbraw/zinc/72/76/33/419727633.db2.gz DJJKZZHNGXOMRH-NSHDSACASA-N 2 2 296.296 3.032 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000658286712 419734490 /nfs/dbraw/zinc/73/44/90/419734490.db2.gz CBTVKXMSWGZCAB-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000658286712 419734497 /nfs/dbraw/zinc/73/44/97/419734497.db2.gz CBTVKXMSWGZCAB-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194062638 287612312 /nfs/dbraw/zinc/61/23/12/287612312.db2.gz IMHRUNAVQLZCDX-SUMWQHHRSA-N 2 2 288.435 3.367 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000035258557 270027617 /nfs/dbraw/zinc/02/76/17/270027617.db2.gz HKXUMGSBALGYSL-MSOLQXFVSA-N 2 2 274.452 3.110 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904528 270028267 /nfs/dbraw/zinc/02/82/67/270028267.db2.gz TUXCWOJJNKBTCT-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904528 270028268 /nfs/dbraw/zinc/02/82/68/270028268.db2.gz TUXCWOJJNKBTCT-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000347966487 265139018 /nfs/dbraw/zinc/13/90/18/265139018.db2.gz GMERPXAZIGWYIC-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP Oc1cc(F)cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000185492542 270062959 /nfs/dbraw/zinc/06/29/59/270062959.db2.gz WEIHHQZOHZTYDD-UHFFFAOYSA-N 2 2 299.349 3.130 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000191824824 270076344 /nfs/dbraw/zinc/07/63/44/270076344.db2.gz LFFVFVFKLGDJEI-CQSZACIVSA-N 2 2 281.469 3.224 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000191840254 270076350 /nfs/dbraw/zinc/07/63/50/270076350.db2.gz SQNLWTHHWCNWCJ-UHFFFAOYSA-N 2 2 272.436 3.266 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000191840254 270076351 /nfs/dbraw/zinc/07/63/51/270076351.db2.gz SQNLWTHHWCNWCJ-UHFFFAOYSA-N 2 2 272.436 3.266 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227870712 270087503 /nfs/dbraw/zinc/08/75/03/270087503.db2.gz ZEXIFSBEMQKBJH-DJIMGWMZSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000525288174 270118753 /nfs/dbraw/zinc/11/87/53/270118753.db2.gz SQIUEMQIWQFIIF-ZDUSSCGKSA-N 2 2 260.425 3.043 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000525288174 270118754 /nfs/dbraw/zinc/11/87/54/270118754.db2.gz SQIUEMQIWQFIIF-ZDUSSCGKSA-N 2 2 260.425 3.043 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)n2c1 ZINC000527739944 270133572 /nfs/dbraw/zinc/13/35/72/270133572.db2.gz OUTGRHZQWRMITD-KFWWJZLASA-N 2 2 269.392 3.169 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527810117 270137659 /nfs/dbraw/zinc/13/76/59/270137659.db2.gz UVWJVHOCXYYAAO-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810117 270137660 /nfs/dbraw/zinc/13/76/60/270137660.db2.gz UVWJVHOCXYYAAO-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000527850734 270139677 /nfs/dbraw/zinc/13/96/77/270139677.db2.gz NPDNBLBQNMIHFB-CQSZACIVSA-N 2 2 277.412 3.157 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@H+]1CCCC[C@H]1C ZINC000527850734 270139678 /nfs/dbraw/zinc/13/96/78/270139678.db2.gz NPDNBLBQNMIHFB-CQSZACIVSA-N 2 2 277.412 3.157 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849966 270139748 /nfs/dbraw/zinc/13/97/48/270139748.db2.gz JOJJMNRZTVIHJB-NHYWBVRUSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849966 270139749 /nfs/dbraw/zinc/13/97/49/270139749.db2.gz JOJJMNRZTVIHJB-NHYWBVRUSA-N 2 2 282.790 3.150 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527891301 270142501 /nfs/dbraw/zinc/14/25/01/270142501.db2.gz MAQRPPMJNUAKHX-OHFALNGGSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000529529650 270182675 /nfs/dbraw/zinc/18/26/75/270182675.db2.gz BCOVXWGUEQBVDX-JHJVBQTASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000529529650 270182676 /nfs/dbraw/zinc/18/26/76/270182676.db2.gz BCOVXWGUEQBVDX-JHJVBQTASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529623943 270186047 /nfs/dbraw/zinc/18/60/47/270186047.db2.gz WRVDFYRUNHEQEM-OLZOCXBDSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C2CC2)c1 ZINC000530215711 270195688 /nfs/dbraw/zinc/19/56/88/270195688.db2.gz IEONYKCOJUIMHL-DYVFJYSZSA-N 2 2 270.420 3.499 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1F ZINC000530216602 270195755 /nfs/dbraw/zinc/19/57/55/270195755.db2.gz BXJAWRAPRCWQGP-LSDHHAIUSA-N 2 2 280.362 3.290 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218836 270196002 /nfs/dbraw/zinc/19/60/02/270196002.db2.gz JVQSHXALMMVAMC-GJZGRUSLSA-N 2 2 276.811 3.202 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)s1 ZINC000530226299 270196935 /nfs/dbraw/zinc/19/69/35/270196935.db2.gz ZLRGLIAVPSASSA-BXUZGUMPSA-N 2 2 264.438 3.300 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699315 270208779 /nfs/dbraw/zinc/20/87/79/270208779.db2.gz DVZJZQDQMGRHLC-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699315 270208780 /nfs/dbraw/zinc/20/87/80/270208780.db2.gz DVZJZQDQMGRHLC-YGRLFVJLSA-N 2 2 287.234 3.076 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531737028 270209096 /nfs/dbraw/zinc/20/90/96/270209096.db2.gz DVBMXCWEBOWAQM-LSDHHAIUSA-N 2 2 270.486 3.148 20 0 CGADLP Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)nc(C(C)C)[nH+]1 ZINC000531599986 270207574 /nfs/dbraw/zinc/20/75/74/270207574.db2.gz CZTLMXYMJPCIIY-UHFFFAOYSA-N 2 2 285.395 3.016 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000531950305 270211430 /nfs/dbraw/zinc/21/14/30/270211430.db2.gz HQHIJICCRXGLAN-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000531950305 270211431 /nfs/dbraw/zinc/21/14/31/270211431.db2.gz HQHIJICCRXGLAN-DDBAPUKQSA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000532530249 270216986 /nfs/dbraw/zinc/21/69/86/270216986.db2.gz LXVFYIDJFGFZKJ-YOEHRIQHSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000532530249 270216987 /nfs/dbraw/zinc/21/69/87/270216987.db2.gz LXVFYIDJFGFZKJ-YOEHRIQHSA-N 2 2 276.424 3.078 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000532530502 270216826 /nfs/dbraw/zinc/21/68/26/270216826.db2.gz TZNJMHIPKHZVNQ-MAUKXSAKSA-N 2 2 272.436 3.386 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000532530502 270216827 /nfs/dbraw/zinc/21/68/27/270216827.db2.gz TZNJMHIPKHZVNQ-MAUKXSAKSA-N 2 2 272.436 3.386 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532532279 270217170 /nfs/dbraw/zinc/21/71/70/270217170.db2.gz XRHJTAYUXZOISQ-BZUAXINKSA-N 2 2 290.451 3.119 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532532279 270217171 /nfs/dbraw/zinc/21/71/71/270217171.db2.gz XRHJTAYUXZOISQ-BZUAXINKSA-N 2 2 290.451 3.119 20 0 CGADLP CCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000165322224 273602708 /nfs/dbraw/zinc/60/27/08/273602708.db2.gz GVQGKHIIMFIMTC-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000442870258 274189113 /nfs/dbraw/zinc/18/91/13/274189113.db2.gz FZROEKZJSGTCAN-QWHCGFSZSA-N 2 2 287.432 3.271 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163388237 274243641 /nfs/dbraw/zinc/24/36/41/274243641.db2.gz BDJIHSATAPCUNP-JVWICGRDSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000041119314 274248561 /nfs/dbraw/zinc/24/85/61/274248561.db2.gz IVNIORYHPCOJSZ-LLVKDONJSA-N 2 2 283.297 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000423420322 274249420 /nfs/dbraw/zinc/24/94/20/274249420.db2.gz JICPRRYPYOTTQS-KDOFPFPSSA-N 2 2 266.388 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CCCC[NH2+]1 ZINC000423055772 274258104 /nfs/dbraw/zinc/25/81/04/274258104.db2.gz XCHVMNRHUXXYIT-KWCYVHTRSA-N 2 2 264.438 3.246 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199467 274276334 /nfs/dbraw/zinc/27/63/34/274276334.db2.gz GCQBUCAFGCKSQC-QWHCGFSZSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199467 274276337 /nfs/dbraw/zinc/27/63/37/274276337.db2.gz GCQBUCAFGCKSQC-QWHCGFSZSA-N 2 2 266.816 3.285 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000249366875 275391112 /nfs/dbraw/zinc/39/11/12/275391112.db2.gz MODAYSVFLKEXHH-CVEARBPZSA-N 2 2 282.497 3.222 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000249366875 275391113 /nfs/dbraw/zinc/39/11/13/275391113.db2.gz MODAYSVFLKEXHH-CVEARBPZSA-N 2 2 282.497 3.222 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000488434619 276001560 /nfs/dbraw/zinc/00/15/60/276001560.db2.gz QEHFGJRGZSPAND-GJZGRUSLSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000503927779 276023366 /nfs/dbraw/zinc/02/33/66/276023366.db2.gz QIBNDCZOLQLMGU-WQVCFCJDSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000503927779 276023368 /nfs/dbraw/zinc/02/33/68/276023368.db2.gz QIBNDCZOLQLMGU-WQVCFCJDSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](C)[NH3+] ZINC000420293730 276025326 /nfs/dbraw/zinc/02/53/26/276025326.db2.gz AEWXWUKILBXSPT-SMDDNHRTSA-N 2 2 254.805 3.316 20 0 CGADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](C)[NH3+] ZINC000420293730 276025327 /nfs/dbraw/zinc/02/53/27/276025327.db2.gz AEWXWUKILBXSPT-SMDDNHRTSA-N 2 2 254.805 3.316 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229390 276060622 /nfs/dbraw/zinc/06/06/22/276060622.db2.gz BCOYDOZKJGQLJS-YOEHRIQHSA-N 2 2 288.435 3.365 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000443860638 276180739 /nfs/dbraw/zinc/18/07/39/276180739.db2.gz IREBCMMWZTWSEK-JJXSEGSLSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000443860638 276180741 /nfs/dbraw/zinc/18/07/41/276180741.db2.gz IREBCMMWZTWSEK-JJXSEGSLSA-N 2 2 250.430 3.051 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000475501068 276243341 /nfs/dbraw/zinc/24/33/41/276243341.db2.gz ILCYVJILSBUGCD-CSMYWGQOSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000475501068 276243342 /nfs/dbraw/zinc/24/33/42/276243342.db2.gz ILCYVJILSBUGCD-CSMYWGQOSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129684839 276379424 /nfs/dbraw/zinc/37/94/24/276379424.db2.gz FEGKFYLQSDPOGV-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129684839 276379425 /nfs/dbraw/zinc/37/94/25/276379425.db2.gz FEGKFYLQSDPOGV-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000154596786 277064660 /nfs/dbraw/zinc/06/46/60/277064660.db2.gz XGQPWSAPBLRCQP-GDBMZVCRSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000154596786 277064661 /nfs/dbraw/zinc/06/46/61/277064661.db2.gz XGQPWSAPBLRCQP-GDBMZVCRSA-N 2 2 286.419 3.117 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000414681440 277172569 /nfs/dbraw/zinc/17/25/69/277172569.db2.gz PFCUABMLUSQIGT-LBPRGKRZSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000414681440 277172570 /nfs/dbraw/zinc/17/25/70/277172570.db2.gz PFCUABMLUSQIGT-LBPRGKRZSA-N 2 2 252.427 3.273 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000123266932 277301160 /nfs/dbraw/zinc/30/11/60/277301160.db2.gz YJEJMCGVHZIAON-GWCFXTLKSA-N 2 2 272.314 3.060 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000123266932 277301161 /nfs/dbraw/zinc/30/11/61/277301161.db2.gz YJEJMCGVHZIAON-GWCFXTLKSA-N 2 2 272.314 3.060 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000488442395 277339787 /nfs/dbraw/zinc/33/97/87/277339787.db2.gz MLFNPGNROZNXPP-ZGUYJTEBSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000488442395 277339789 /nfs/dbraw/zinc/33/97/89/277339789.db2.gz MLFNPGNROZNXPP-ZGUYJTEBSA-N 2 2 272.436 3.456 20 0 CGADLP CSc1ccccc1C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414750887 278176441 /nfs/dbraw/zinc/17/64/41/278176441.db2.gz ZATKRCAXHAZWQB-AWEZNQCLSA-N 2 2 266.454 3.214 20 0 CGADLP CSc1ccccc1C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414750887 278176443 /nfs/dbraw/zinc/17/64/43/278176443.db2.gz ZATKRCAXHAZWQB-AWEZNQCLSA-N 2 2 266.454 3.214 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397657411 288026334 /nfs/dbraw/zinc/02/63/34/288026334.db2.gz DTIPAJNTCJTDKE-HOTGVXAUSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338774509 278278397 /nfs/dbraw/zinc/27/83/97/278278397.db2.gz KCOIPIKVDAXHNS-GAIWEEKLSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338774509 278278398 /nfs/dbraw/zinc/27/83/98/278278398.db2.gz KCOIPIKVDAXHNS-GAIWEEKLSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000343897723 278283355 /nfs/dbraw/zinc/28/33/55/278283355.db2.gz YSDVCBNHAJARPJ-HOTGVXAUSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397802901 288031109 /nfs/dbraw/zinc/03/11/09/288031109.db2.gz CYBSYOJWFLWKCJ-CQSZACIVSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000354517458 278350951 /nfs/dbraw/zinc/35/09/51/278350951.db2.gz XXXNZPZFKLIIOX-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000354517458 278350952 /nfs/dbraw/zinc/35/09/52/278350952.db2.gz XXXNZPZFKLIIOX-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000397950696 288036188 /nfs/dbraw/zinc/03/61/88/288036188.db2.gz WSLFLFANXLAMCS-LLVKDONJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000423147694 278370606 /nfs/dbraw/zinc/37/06/06/278370606.db2.gz SRFOFPVHAKTWDB-CSMYWGQOSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414959580 278501437 /nfs/dbraw/zinc/50/14/37/278501437.db2.gz SPNXXOLYXYASJK-UNEWFSDZSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000420365035 278568832 /nfs/dbraw/zinc/56/88/32/278568832.db2.gz KRJNVZXXPJTGGD-UHIISALHSA-N 2 2 286.341 3.182 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917210 288060078 /nfs/dbraw/zinc/06/00/78/288060078.db2.gz FNZDPOBWNLXIRW-LKTVYLICSA-N 2 2 268.351 3.146 20 0 CGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[NH+]1CCCCC1 ZINC000245836535 278621919 /nfs/dbraw/zinc/62/19/19/278621919.db2.gz CRPLSZAEAHXWBE-ARFHVFGLSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439246 279022380 /nfs/dbraw/zinc/02/23/80/279022380.db2.gz SMIZERLPVKSVQG-FZKQIMNGSA-N 2 2 281.403 3.243 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000348260962 279130399 /nfs/dbraw/zinc/13/03/99/279130399.db2.gz FQHJIHJLJMKACJ-TZMCWYRMSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000348260962 279130400 /nfs/dbraw/zinc/13/04/00/279130400.db2.gz FQHJIHJLJMKACJ-TZMCWYRMSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000348260962 279130402 /nfs/dbraw/zinc/13/04/02/279130402.db2.gz FQHJIHJLJMKACJ-TZMCWYRMSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000348260962 279130404 /nfs/dbraw/zinc/13/04/04/279130404.db2.gz FQHJIHJLJMKACJ-TZMCWYRMSA-N 2 2 294.389 3.368 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000462669589 288102129 /nfs/dbraw/zinc/10/21/29/288102129.db2.gz STTZPKFJCSPBHN-DAWZGUTISA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000462669589 288102131 /nfs/dbraw/zinc/10/21/31/288102131.db2.gz STTZPKFJCSPBHN-DAWZGUTISA-N 2 2 296.499 3.148 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000348321515 279280039 /nfs/dbraw/zinc/28/00/39/279280039.db2.gz ZYPXSVACHBIEEC-NWDGAFQWSA-N 2 2 288.357 3.176 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000482095753 279359364 /nfs/dbraw/zinc/35/93/64/279359364.db2.gz FDWGNNZIGODYRP-HNNXBMFYSA-N 2 2 262.441 3.283 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000482095753 279359365 /nfs/dbraw/zinc/35/93/65/279359365.db2.gz FDWGNNZIGODYRP-HNNXBMFYSA-N 2 2 262.441 3.283 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000310929920 279359937 /nfs/dbraw/zinc/35/99/37/279359937.db2.gz DXPXWLLAIJXOGP-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000310929920 279359939 /nfs/dbraw/zinc/35/99/39/279359939.db2.gz DXPXWLLAIJXOGP-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000420364906 279400491 /nfs/dbraw/zinc/40/04/91/279400491.db2.gz RLXVECXCHXNXAM-NSHDSACASA-N 2 2 286.341 3.232 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000130998467 279457064 /nfs/dbraw/zinc/45/70/64/279457064.db2.gz HPIQXRABAANTBH-ZDUSSCGKSA-N 2 2 261.413 3.075 20 0 CGADLP Fc1ccccc1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423197421 279472576 /nfs/dbraw/zinc/47/25/76/279472576.db2.gz ZHTWILYCKFZIOO-WMLDXEAASA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000171692983 279606864 /nfs/dbraw/zinc/60/68/64/279606864.db2.gz IKZJEPQKSFTCQU-CYBMUJFWSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]C)CC1 ZINC000430936950 288153741 /nfs/dbraw/zinc/15/37/41/288153741.db2.gz YANQQYDCFWOUEC-OAHLLOKOSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000361006064 279699494 /nfs/dbraw/zinc/69/94/94/279699494.db2.gz ZTIUIUCGCYCOLS-OWCLPIDISA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000527232939 288158953 /nfs/dbraw/zinc/15/89/53/288158953.db2.gz JYQVHQTZRTVAEF-WMZOPIPTSA-N 2 2 274.452 3.358 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000527232939 288158955 /nfs/dbraw/zinc/15/89/55/288158955.db2.gz JYQVHQTZRTVAEF-WMZOPIPTSA-N 2 2 274.452 3.358 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(F)ccc(F)c1Cl)Cn1cc[nH+]c1 ZINC000527647802 288181267 /nfs/dbraw/zinc/18/12/67/288181267.db2.gz AZDKATOTIDNYQA-JTQLQIEISA-N 2 2 299.752 3.241 20 0 CGADLP Cc1c[nH+]ccc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000528521020 288206444 /nfs/dbraw/zinc/20/64/44/288206444.db2.gz YSTZZTIODMLUFB-RYUDHWBXSA-N 2 2 255.365 3.006 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510679887 280254783 /nfs/dbraw/zinc/25/47/83/280254783.db2.gz HISWEFMHJQAILX-ZACQAIPSSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510679887 280254786 /nfs/dbraw/zinc/25/47/86/280254786.db2.gz HISWEFMHJQAILX-ZACQAIPSSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195130 281027609 /nfs/dbraw/zinc/02/76/09/281027609.db2.gz SFHGGJFLHQQOHT-SUMWQHHRSA-N 2 2 283.419 3.195 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000352579941 281126377 /nfs/dbraw/zinc/12/63/77/281126377.db2.gz HMSYSXSBPFKDLC-KYNGSXCRSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000352579941 281126382 /nfs/dbraw/zinc/12/63/82/281126382.db2.gz HMSYSXSBPFKDLC-KYNGSXCRSA-N 2 2 284.447 3.445 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176664 288294323 /nfs/dbraw/zinc/29/43/23/288294323.db2.gz FKWCOIYTHQTFLU-ZDUSSCGKSA-N 2 2 284.325 3.080 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127148 281305080 /nfs/dbraw/zinc/30/50/80/281305080.db2.gz PRPQSSZCQRJGQO-CZUORRHYSA-N 2 2 269.392 3.109 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425329361 281389770 /nfs/dbraw/zinc/38/97/70/281389770.db2.gz TZADVBLGXXGLRW-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425329361 281389773 /nfs/dbraw/zinc/38/97/73/281389773.db2.gz TZADVBLGXXGLRW-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1CCCCC1)CCC2 ZINC000369772564 281547877 /nfs/dbraw/zinc/54/78/77/281547877.db2.gz LNCXVCPISUDFCI-OAHLLOKOSA-N 2 2 261.413 3.239 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)CCC2 ZINC000344211537 281550317 /nfs/dbraw/zinc/55/03/17/281550317.db2.gz NKTOBQOFFCQXFM-KBMXLJTQSA-N 2 2 275.440 3.485 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccs1)CCC2 ZINC000366208757 281551103 /nfs/dbraw/zinc/55/11/03/281551103.db2.gz IYEXRYMUOOVZRT-STQMWFEESA-N 2 2 275.421 3.481 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531728927 288344269 /nfs/dbraw/zinc/34/42/69/288344269.db2.gz MRHXWPMTSJTAED-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531728927 288344272 /nfs/dbraw/zinc/34/42/72/288344272.db2.gz MRHXWPMTSJTAED-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194562 288354567 /nfs/dbraw/zinc/35/45/67/288354567.db2.gz GETDWRQOWVNRHW-PBHICJAKSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194562 288354569 /nfs/dbraw/zinc/35/45/69/288354569.db2.gz GETDWRQOWVNRHW-PBHICJAKSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc2ccccc21 ZINC000532203312 288355502 /nfs/dbraw/zinc/35/55/02/288355502.db2.gz QCQLVFNAGMWYAV-SUNYJGFJSA-N 2 2 268.404 3.441 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc2ccccc21 ZINC000532203312 288355504 /nfs/dbraw/zinc/35/55/04/288355504.db2.gz QCQLVFNAGMWYAV-SUNYJGFJSA-N 2 2 268.404 3.441 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000533357609 288377633 /nfs/dbraw/zinc/37/76/33/288377633.db2.gz ZWFPDDMSIAUTRI-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000533357609 288377634 /nfs/dbraw/zinc/37/76/34/288377634.db2.gz ZWFPDDMSIAUTRI-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000537656125 288542538 /nfs/dbraw/zinc/54/25/38/288542538.db2.gz CRACDMIDFYTZKO-XHSDSOJGSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[NH+]1CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000544041241 288829103 /nfs/dbraw/zinc/82/91/03/288829103.db2.gz DPPQNTZWHAWWBS-UHFFFAOYSA-N 2 2 273.424 3.245 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000548150803 288993503 /nfs/dbraw/zinc/99/35/03/288993503.db2.gz ZVEPXBCKCQGIDF-HZPDHXFCSA-N 2 2 261.413 3.245 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)CC2 ZINC000548635666 289014015 /nfs/dbraw/zinc/01/40/15/289014015.db2.gz IUNOZQTUHMMDRM-IRXDYDNUSA-N 2 2 281.403 3.329 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)oc1C ZINC000548794435 289023403 /nfs/dbraw/zinc/02/34/03/289023403.db2.gz CPDXPMSHIGZONH-CYBMUJFWSA-N 2 2 261.369 3.224 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884899 289027742 /nfs/dbraw/zinc/02/77/42/289027742.db2.gz CZVXPNJLESETOP-ZVDSWSACSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884899 289027743 /nfs/dbraw/zinc/02/77/43/289027743.db2.gz CZVXPNJLESETOP-ZVDSWSACSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609605 289048411 /nfs/dbraw/zinc/04/84/11/289048411.db2.gz CAGUNXYAYJNSSE-QCNKBUPASA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609605 289048412 /nfs/dbraw/zinc/04/84/12/289048412.db2.gz CAGUNXYAYJNSSE-QCNKBUPASA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241009 289104359 /nfs/dbraw/zinc/10/43/59/289104359.db2.gz GAPNBDSIEABRLW-FDPIWHGQSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241009 289104361 /nfs/dbraw/zinc/10/43/61/289104361.db2.gz GAPNBDSIEABRLW-FDPIWHGQSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096605 289258465 /nfs/dbraw/zinc/25/84/65/289258465.db2.gz NNAIGOPKOPNDMN-ATGSNQNLSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096605 289258467 /nfs/dbraw/zinc/25/84/67/289258467.db2.gz NNAIGOPKOPNDMN-ATGSNQNLSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C[NH+](C)C ZINC000554371483 289276731 /nfs/dbraw/zinc/27/67/31/289276731.db2.gz OXLVHSKLMAPUED-QWRGUYRKSA-N 2 2 289.250 3.464 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000554806196 289310037 /nfs/dbraw/zinc/31/00/37/289310037.db2.gz AYHRVNDFSJYYGJ-IRXDYDNUSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000555033943 289325137 /nfs/dbraw/zinc/32/51/37/289325137.db2.gz INUURFMHOJCZNX-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000555033943 289325139 /nfs/dbraw/zinc/32/51/39/289325139.db2.gz INUURFMHOJCZNX-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000556126803 289372386 /nfs/dbraw/zinc/37/23/86/289372386.db2.gz VZCLSTSGSICMKB-MOPGFXCFSA-N 2 2 280.415 3.264 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000556126803 289372387 /nfs/dbraw/zinc/37/23/87/289372387.db2.gz VZCLSTSGSICMKB-MOPGFXCFSA-N 2 2 280.415 3.264 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H](C)C1 ZINC000556608665 289400764 /nfs/dbraw/zinc/40/07/64/289400764.db2.gz QRRHJJFANMVXSW-IPYPFGDCSA-N 2 2 261.413 3.134 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000360701446 294318048 /nfs/dbraw/zinc/31/80/48/294318048.db2.gz GDGSRWMIRGHIFI-JFIYKMOQSA-N 2 2 290.451 3.145 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000377803584 295246020 /nfs/dbraw/zinc/24/60/20/295246020.db2.gz YBLHGBKJAGFUPL-RDTXWAMCSA-N 2 2 299.418 3.263 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C(C)C)cc1 ZINC000377803584 295246022 /nfs/dbraw/zinc/24/60/22/295246022.db2.gz YBLHGBKJAGFUPL-RDTXWAMCSA-N 2 2 299.418 3.263 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335566519 295297234 /nfs/dbraw/zinc/29/72/34/295297234.db2.gz USSLIFTUIFQABF-QZTJIDSGSA-N 3 2 293.499 3.033 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000120465878 302247940 /nfs/dbraw/zinc/24/79/40/302247940.db2.gz MXKYBMWZJHOHDC-OWCLPIDISA-N 2 2 275.440 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000120465878 302247943 /nfs/dbraw/zinc/24/79/43/302247943.db2.gz MXKYBMWZJHOHDC-OWCLPIDISA-N 2 2 275.440 3.159 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000162914997 321888479 /nfs/dbraw/zinc/88/84/79/321888479.db2.gz HFEVOZGIPNYCCM-MRXNPFEDSA-N 2 2 261.413 3.298 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000563741358 322008387 /nfs/dbraw/zinc/00/83/87/322008387.db2.gz WMWZMUWDYMSVSH-ZDUSSCGKSA-N 2 2 286.872 3.362 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1Cl ZINC000566084768 322103640 /nfs/dbraw/zinc/10/36/40/322103640.db2.gz OEQRLSJSJVGXCU-LBPRGKRZSA-N 2 2 278.787 3.063 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000566092683 322104264 /nfs/dbraw/zinc/10/42/64/322104264.db2.gz ISQVLBVOHWBDGR-JFIYKMOQSA-N 2 2 299.393 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804588 322138625 /nfs/dbraw/zinc/13/86/25/322138625.db2.gz SRXKTWSXVFQEOX-MNOVXSKESA-N 2 2 278.783 3.398 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804588 322138627 /nfs/dbraw/zinc/13/86/27/322138627.db2.gz SRXKTWSXVFQEOX-MNOVXSKESA-N 2 2 278.783 3.398 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000566908969 322142841 /nfs/dbraw/zinc/14/28/41/322142841.db2.gz QWULFUBVNYJFSF-HNNXBMFYSA-N 2 2 278.444 3.009 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000567734539 322175262 /nfs/dbraw/zinc/17/52/62/322175262.db2.gz OFHXUZUPFVARCB-NSHDSACASA-N 2 2 278.783 3.379 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000567734539 322175265 /nfs/dbraw/zinc/17/52/65/322175265.db2.gz OFHXUZUPFVARCB-NSHDSACASA-N 2 2 278.783 3.379 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000567854049 322180230 /nfs/dbraw/zinc/18/02/30/322180230.db2.gz XSJLVTVKLQTNSR-DGCLKSJQSA-N 2 2 296.352 3.274 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000567903994 322182287 /nfs/dbraw/zinc/18/22/87/322182287.db2.gz ILJZGGHNWZLHGN-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000567903994 322182290 /nfs/dbraw/zinc/18/22/90/322182290.db2.gz ILJZGGHNWZLHGN-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569706734 322254759 /nfs/dbraw/zinc/25/47/59/322254759.db2.gz SBEYBQNDYGIOIG-HOCLYGCPSA-N 2 2 263.429 3.253 20 0 CGADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000569706734 322254760 /nfs/dbraw/zinc/25/47/60/322254760.db2.gz SBEYBQNDYGIOIG-HOCLYGCPSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1[nH+]ccc2cc(F)ccc21 ZINC000569923033 322260758 /nfs/dbraw/zinc/26/07/58/322260758.db2.gz VJVOITWCQQMCQL-UHFFFAOYSA-N 2 2 298.365 3.405 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000570009208 322262781 /nfs/dbraw/zinc/26/27/81/322262781.db2.gz SGIDLTGYWZBESG-ZHALLVOQSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000570009208 322262782 /nfs/dbraw/zinc/26/27/82/322262782.db2.gz SGIDLTGYWZBESG-ZHALLVOQSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000570912761 322285265 /nfs/dbraw/zinc/28/52/65/322285265.db2.gz XBDNOCIORXSBPX-GJZGRUSLSA-N 2 2 286.419 3.295 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000570912761 322285266 /nfs/dbraw/zinc/28/52/66/322285266.db2.gz XBDNOCIORXSBPX-GJZGRUSLSA-N 2 2 286.419 3.295 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000571166299 322291886 /nfs/dbraw/zinc/29/18/86/322291886.db2.gz XLBSDPFAHGXSHV-SFHVURJKSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000571166299 322291888 /nfs/dbraw/zinc/29/18/88/322291888.db2.gz XLBSDPFAHGXSHV-SFHVURJKSA-N 2 2 298.430 3.293 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722544 322306003 /nfs/dbraw/zinc/30/60/03/322306003.db2.gz HWTQZYMIKNOPCE-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722544 322306004 /nfs/dbraw/zinc/30/60/04/322306004.db2.gz HWTQZYMIKNOPCE-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722544 322306006 /nfs/dbraw/zinc/30/60/06/322306006.db2.gz HWTQZYMIKNOPCE-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722544 322306008 /nfs/dbraw/zinc/30/60/08/322306008.db2.gz HWTQZYMIKNOPCE-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)C(C)C)n1C ZINC000572663721 322349136 /nfs/dbraw/zinc/34/91/36/322349136.db2.gz UPKYMIWLEIZZJU-INIZCTEOSA-N 2 2 257.381 3.215 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000573483873 322390606 /nfs/dbraw/zinc/39/06/06/322390606.db2.gz QWEPYJGQVORYDT-QZTJIDSGSA-N 2 2 282.387 3.052 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000574422020 322439247 /nfs/dbraw/zinc/43/92/47/322439247.db2.gz DKDIIFUFBPKWCC-DLBZAZTESA-N 2 2 286.444 3.156 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000582755213 329144650 /nfs/dbraw/zinc/14/46/50/329144650.db2.gz JZHXCVCZNLAWIZ-GOEBONIOSA-N 2 2 283.419 3.459 20 0 CGADLP CCn1cc[nH+]c1CNc1[nH+]ccc2ccc(C)cc21 ZINC000583021992 329298648 /nfs/dbraw/zinc/29/86/48/329298648.db2.gz FGJLZVSJIIOMLR-UHFFFAOYSA-N 2 2 266.348 3.372 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378215 329306974 /nfs/dbraw/zinc/30/69/74/329306974.db2.gz BGHPVFVJSAWPRA-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378215 329306976 /nfs/dbraw/zinc/30/69/76/329306976.db2.gz BGHPVFVJSAWPRA-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378215 329306977 /nfs/dbraw/zinc/30/69/77/329306977.db2.gz BGHPVFVJSAWPRA-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378215 329306979 /nfs/dbraw/zinc/30/69/79/329306979.db2.gz BGHPVFVJSAWPRA-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)=CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379673444 330331499 /nfs/dbraw/zinc/33/14/99/330331499.db2.gz QGCDUPJBZFCICS-UHFFFAOYSA-N 2 2 260.425 3.453 20 0 CGADLP CC(C)=CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379673444 330331500 /nfs/dbraw/zinc/33/15/00/330331500.db2.gz QGCDUPJBZFCICS-UHFFFAOYSA-N 2 2 260.425 3.453 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000191903400 331306288 /nfs/dbraw/zinc/30/62/88/331306288.db2.gz GPFYHJPECFJMQZ-CQSZACIVSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)C1CC1 ZINC000191903400 331306289 /nfs/dbraw/zinc/30/62/89/331306289.db2.gz GPFYHJPECFJMQZ-CQSZACIVSA-N 2 2 269.392 3.411 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000576148069 335160401 /nfs/dbraw/zinc/16/04/01/335160401.db2.gz ZVDZUFKVAPCKJQ-RFSCMCKOSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000576148069 335160402 /nfs/dbraw/zinc/16/04/02/335160402.db2.gz ZVDZUFKVAPCKJQ-RFSCMCKOSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000576436606 335203380 /nfs/dbraw/zinc/20/33/80/335203380.db2.gz XPQUCLFQAFUQMR-MKVSYHDVSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000576436606 335203381 /nfs/dbraw/zinc/20/33/81/335203381.db2.gz XPQUCLFQAFUQMR-MKVSYHDVSA-N 2 2 281.403 3.049 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000576792483 335248230 /nfs/dbraw/zinc/24/82/30/335248230.db2.gz NTXVPPIHIDGDAQ-DRPJVOAASA-N 2 2 262.441 3.194 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000576792483 335248231 /nfs/dbraw/zinc/24/82/31/335248231.db2.gz NTXVPPIHIDGDAQ-DRPJVOAASA-N 2 2 262.441 3.194 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949521 335268377 /nfs/dbraw/zinc/26/83/77/335268377.db2.gz IDWUNZNMRINCIH-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949521 335268378 /nfs/dbraw/zinc/26/83/78/335268378.db2.gz IDWUNZNMRINCIH-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949521 335268379 /nfs/dbraw/zinc/26/83/79/335268379.db2.gz IDWUNZNMRINCIH-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949521 335268381 /nfs/dbraw/zinc/26/83/81/335268381.db2.gz IDWUNZNMRINCIH-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590816 335375443 /nfs/dbraw/zinc/37/54/43/335375443.db2.gz HBLNPXJEGMPICN-HIFRSBDPSA-N 2 2 285.391 3.390 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CCC3)s2)CCCCC1 ZINC000577600891 335376302 /nfs/dbraw/zinc/37/63/02/335376302.db2.gz BUXXJNGCVLIFPS-UHFFFAOYSA-N 2 2 279.453 3.162 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000577748255 335396656 /nfs/dbraw/zinc/39/66/56/335396656.db2.gz RGSIFPIBRNYYEC-HOTGVXAUSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000577748254 335396721 /nfs/dbraw/zinc/39/67/21/335396721.db2.gz RGSIFPIBRNYYEC-CVEARBPZSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198751 336023036 /nfs/dbraw/zinc/02/30/36/336023036.db2.gz UAVZEXVKHDECTP-RKDXNWHRSA-N 2 2 278.343 3.079 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198751 336023037 /nfs/dbraw/zinc/02/30/37/336023037.db2.gz UAVZEXVKHDECTP-RKDXNWHRSA-N 2 2 278.343 3.079 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194834683 336039317 /nfs/dbraw/zinc/03/93/17/336039317.db2.gz UZTSHQKCSNWXLH-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194834683 336039318 /nfs/dbraw/zinc/03/93/18/336039318.db2.gz UZTSHQKCSNWXLH-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000384901824 336134113 /nfs/dbraw/zinc/13/41/13/336134113.db2.gz NLYLTIMSBYDYNL-AWEZNQCLSA-N 2 2 275.440 3.465 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000385328372 336144424 /nfs/dbraw/zinc/14/44/24/336144424.db2.gz PMGQFZPSJJDVHU-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000385328372 336144426 /nfs/dbraw/zinc/14/44/26/336144426.db2.gz PMGQFZPSJJDVHU-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386156871 336167112 /nfs/dbraw/zinc/16/71/12/336167112.db2.gz TZFCIUGIOQYALF-BXUZGUMPSA-N 2 2 286.341 3.326 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427897437 533718868 /nfs/dbraw/zinc/71/88/68/533718868.db2.gz XYPYZUVXDGGHGR-DOTOQJQBSA-N 2 2 295.430 3.482 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268812538 500633423 /nfs/dbraw/zinc/63/34/23/500633423.db2.gz LHKQFXJJRASRAE-RBSFLKMASA-N 2 2 287.407 3.062 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@H+]3CC=CCC3)cccc12 ZINC000449297132 533835629 /nfs/dbraw/zinc/83/56/29/533835629.db2.gz FFRKHGGDWSSXAA-UHFFFAOYSA-N 2 2 296.414 3.200 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@@H+]3CC=CCC3)cccc12 ZINC000449297132 533835633 /nfs/dbraw/zinc/83/56/33/533835633.db2.gz FFRKHGGDWSSXAA-UHFFFAOYSA-N 2 2 296.414 3.200 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H](C)[N@H+](C)C3CC3)cccc12 ZINC000449134265 533838353 /nfs/dbraw/zinc/83/83/53/533838353.db2.gz HWGHHZWZZLZUPS-CQSZACIVSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@@H](C)[N@@H+](C)C3CC3)cccc12 ZINC000449134265 533838354 /nfs/dbraw/zinc/83/83/54/533838354.db2.gz HWGHHZWZZLZUPS-CQSZACIVSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000440633815 533847389 /nfs/dbraw/zinc/84/73/89/533847389.db2.gz CBQSYRBHBUBGPA-KBPBESRZSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000440633815 533847399 /nfs/dbraw/zinc/84/73/99/533847399.db2.gz CBQSYRBHBUBGPA-KBPBESRZSA-N 2 2 297.402 3.282 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccs1 ZINC000423415933 533889496 /nfs/dbraw/zinc/88/94/96/533889496.db2.gz FIMDFMNHEBURPC-WFASDCNBSA-N 2 2 272.417 3.286 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414069507 533931385 /nfs/dbraw/zinc/93/13/85/533931385.db2.gz KNAGCASOKITQAJ-IPYPFGDCSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423358681 533991057 /nfs/dbraw/zinc/99/10/57/533991057.db2.gz JRZVITKBOSUTSR-COPLHBTASA-N 2 2 286.341 3.354 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2n1 ZINC000423499778 533993840 /nfs/dbraw/zinc/99/38/40/533993840.db2.gz JTSKCZWSMAFRCL-SCLBCKFNSA-N 2 2 283.419 3.403 20 0 CGADLP COc1cc(F)cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000449029222 533994774 /nfs/dbraw/zinc/99/47/74/533994774.db2.gz NYGKOIFIELCMBW-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000449029222 533994790 /nfs/dbraw/zinc/99/47/90/533994790.db2.gz NYGKOIFIELCMBW-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000449029222 533994799 /nfs/dbraw/zinc/99/47/99/533994799.db2.gz NYGKOIFIELCMBW-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000449029222 533994809 /nfs/dbraw/zinc/99/48/09/533994809.db2.gz NYGKOIFIELCMBW-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000425338368 533995027 /nfs/dbraw/zinc/99/50/27/533995027.db2.gz PAYHDBAWXRZFJZ-XBVQOTNRSA-N 2 2 292.492 3.470 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000411386181 534055638 /nfs/dbraw/zinc/05/56/38/534055638.db2.gz JJOCJYJMPWBBCX-XFKAJCMBSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000411386181 534055643 /nfs/dbraw/zinc/05/56/43/534055643.db2.gz JJOCJYJMPWBBCX-XFKAJCMBSA-N 2 2 299.393 3.461 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436236218 534123177 /nfs/dbraw/zinc/12/31/77/534123177.db2.gz DZDFHFNMKAHYDO-KBAYOESNSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436236218 534123183 /nfs/dbraw/zinc/12/31/83/534123183.db2.gz DZDFHFNMKAHYDO-KBAYOESNSA-N 2 2 286.463 3.470 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C)c1F)CCC2 ZINC000449167393 534509069 /nfs/dbraw/zinc/50/90/69/534509069.db2.gz JWQPCXACGRGGGL-OAHLLOKOSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC000358336054 534600565 /nfs/dbraw/zinc/60/05/65/534600565.db2.gz BRNBFGSAGXLSBI-ZFWWWQNUSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000358336054 534600570 /nfs/dbraw/zinc/60/05/70/534600570.db2.gz BRNBFGSAGXLSBI-ZFWWWQNUSA-N 2 2 295.496 3.470 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)s1 ZINC000163446003 524046388 /nfs/dbraw/zinc/04/63/88/524046388.db2.gz TXBMHDYFLXLKRH-KBPBESRZSA-N 2 2 296.480 3.072 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)s1 ZINC000163446003 524046390 /nfs/dbraw/zinc/04/63/90/524046390.db2.gz TXBMHDYFLXLKRH-KBPBESRZSA-N 2 2 296.480 3.072 20 0 CGADLP Cc1cccc(NCC2([NH+]3CCSCC3)CCCC2)[nH+]1 ZINC000157057421 524673452 /nfs/dbraw/zinc/67/34/52/524673452.db2.gz KMSUCOGRDMZJKJ-UHFFFAOYSA-N 2 2 291.464 3.164 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206901 525013086 /nfs/dbraw/zinc/01/30/86/525013086.db2.gz ULLJPJGRRFJSGI-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164206901 525013091 /nfs/dbraw/zinc/01/30/91/525013091.db2.gz ULLJPJGRRFJSGI-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086254081 525385722 /nfs/dbraw/zinc/38/57/22/525385722.db2.gz ZQIKTXFQMPRLNT-CQSZACIVSA-N 2 2 271.408 3.234 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414121263 534879241 /nfs/dbraw/zinc/87/92/41/534879241.db2.gz GFEGQXRPQANKJR-NSHDSACASA-N 2 2 292.452 3.202 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424323430 526286281 /nfs/dbraw/zinc/28/62/81/526286281.db2.gz JBQCKSXSVGBDRF-WMZOPIPTSA-N 2 2 290.426 3.476 20 0 CGADLP Oc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1Cl ZINC000293494021 526357794 /nfs/dbraw/zinc/35/77/94/526357794.db2.gz GTRNQBMRHPMFRN-UHFFFAOYSA-N 2 2 294.826 3.152 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423288701 527257161 /nfs/dbraw/zinc/25/71/61/527257161.db2.gz UNYUBEIELKCVBT-QGZVFWFLSA-N 2 2 295.386 3.244 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423281411 527260198 /nfs/dbraw/zinc/26/01/98/527260198.db2.gz BHHDHHCFMIXRBL-MRXNPFEDSA-N 2 2 272.367 3.242 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000365087765 527408349 /nfs/dbraw/zinc/40/83/49/527408349.db2.gz YEETVBJGUZDZSK-WMZOPIPTSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000365087765 527408357 /nfs/dbraw/zinc/40/83/57/527408357.db2.gz YEETVBJGUZDZSK-WMZOPIPTSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)C(C[NH+]1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000375323462 527578003 /nfs/dbraw/zinc/57/80/03/527578003.db2.gz GOEGVLQVIWIUAI-UHFFFAOYSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000449256669 527831167 /nfs/dbraw/zinc/83/11/67/527831167.db2.gz FFBNGBNNBNGQHT-PMPSAXMXSA-N 2 2 275.440 3.392 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000427878233 527876549 /nfs/dbraw/zinc/87/65/49/527876549.db2.gz QFYPZLQNPAFETF-BRWVUGGUSA-N 2 2 295.430 3.370 20 0 CGADLP CCC[C@H]([NH2+]CC[NH2+]CC)c1ccc(Cl)cc1 ZINC000423251272 528220250 /nfs/dbraw/zinc/22/02/50/528220250.db2.gz VPNRYWRVEBEYQT-AWEZNQCLSA-N 2 2 254.805 3.380 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(OC)cc1 ZINC000423370604 528241358 /nfs/dbraw/zinc/24/13/58/528241358.db2.gz ULUCLSHZEMNXML-COXVUDFISA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423392514 528301126 /nfs/dbraw/zinc/30/11/26/528301126.db2.gz XPIKGRNPUQILQS-IJLUTSLNSA-N 2 2 267.442 3.058 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000427863725 528301892 /nfs/dbraw/zinc/30/18/92/528301892.db2.gz IXXBINHXXJPSGR-VXGBXAGGSA-N 2 2 290.436 3.129 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000423242946 528334401 /nfs/dbraw/zinc/33/44/01/528334401.db2.gz JSGJYVFUCJGAAL-CYBMUJFWSA-N 2 2 266.454 3.447 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423262624 528518120 /nfs/dbraw/zinc/51/81/20/528518120.db2.gz MXAOFCFGNHEZPE-GXSJLCMTSA-N 2 2 274.330 3.128 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423268616 528519468 /nfs/dbraw/zinc/51/94/68/528519468.db2.gz UWFVWAJKFGFOGJ-UKRRQHHQSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[NH+](C)C ZINC000364648988 528533491 /nfs/dbraw/zinc/53/34/91/528533491.db2.gz FALMJLXFAQXWQF-XWTMOSNGSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423273073 528533966 /nfs/dbraw/zinc/53/39/66/528533966.db2.gz KIGDGMWOAXXZRO-JSGCOSHPSA-N 2 2 289.448 3.444 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423230200 528691143 /nfs/dbraw/zinc/69/11/43/528691143.db2.gz CWURGIXEGLURHF-GOEBONIOSA-N 2 2 276.424 3.268 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])oc21 ZINC000423451756 528701003 /nfs/dbraw/zinc/70/10/03/528701003.db2.gz VHLFAPWSTNPIPO-WOPDTQHZSA-N 2 2 276.380 3.218 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000423304302 528955686 /nfs/dbraw/zinc/95/56/86/528955686.db2.gz YIDUCRQGKHIKBL-NWDGAFQWSA-N 2 2 298.402 3.011 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1F ZINC000423298063 528956011 /nfs/dbraw/zinc/95/60/11/528956011.db2.gz MZBMCIUSJVXGAZ-DOMZBBRYSA-N 2 2 252.377 3.384 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423267752 529070349 /nfs/dbraw/zinc/07/03/49/529070349.db2.gz FUENEAGFBULFRY-ZIAGYGMSSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423439803 529177514 /nfs/dbraw/zinc/17/75/14/529177514.db2.gz VMMBQLOJZHGQAE-HZPDHXFCSA-N 2 2 296.842 3.149 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423229586 529179431 /nfs/dbraw/zinc/17/94/31/529179431.db2.gz BPOCIDMDBIKGJQ-TZMCWYRMSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCCC[NH2+]1 ZINC000423411635 529186002 /nfs/dbraw/zinc/18/60/02/529186002.db2.gz GCUVIZJQBSBHSW-AEFFLSMTSA-N 2 2 287.451 3.055 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528852 529202147 /nfs/dbraw/zinc/20/21/47/529202147.db2.gz VDYNZLOMKDFOTN-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528852 529202148 /nfs/dbraw/zinc/20/21/48/529202148.db2.gz VDYNZLOMKDFOTN-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1F ZINC000368097876 529203957 /nfs/dbraw/zinc/20/39/57/529203957.db2.gz ACKFVRBGKIHDLW-BXUZGUMPSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1F ZINC000368097876 529203958 /nfs/dbraw/zinc/20/39/58/529203958.db2.gz ACKFVRBGKIHDLW-BXUZGUMPSA-N 2 2 273.355 3.147 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034342 535780929 /nfs/dbraw/zinc/78/09/29/535780929.db2.gz AXQQSMPOEAELIH-XJKSGUPXSA-N 2 2 292.854 3.301 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000480034342 535780932 /nfs/dbraw/zinc/78/09/32/535780932.db2.gz AXQQSMPOEAELIH-XJKSGUPXSA-N 2 2 292.854 3.301 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCCC1(F)F ZINC000450637601 536362452 /nfs/dbraw/zinc/36/24/52/536362452.db2.gz QYUOHZACZOGTAB-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCCC1(F)F ZINC000450637601 536362453 /nfs/dbraw/zinc/36/24/53/536362453.db2.gz QYUOHZACZOGTAB-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC(F)F ZINC000124289489 536362969 /nfs/dbraw/zinc/36/29/69/536362969.db2.gz JKVIIMLCQYHOEJ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC(F)F ZINC000124289489 536362972 /nfs/dbraw/zinc/36/29/72/536362972.db2.gz JKVIIMLCQYHOEJ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP Cc1cc(NCCCCCCC[NH+]2CCCC2)nc[nH+]1 ZINC000732567367 572471475 /nfs/dbraw/zinc/47/14/75/572471475.db2.gz KHGFPWZHGIIAAP-UHFFFAOYSA-N 2 2 276.428 3.243 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000070175601 572509820 /nfs/dbraw/zinc/50/98/20/572509820.db2.gz UIAHUDNIKATGDU-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000070175601 572509825 /nfs/dbraw/zinc/50/98/25/572509825.db2.gz UIAHUDNIKATGDU-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000741754020 572521899 /nfs/dbraw/zinc/52/18/99/572521899.db2.gz FTBWCAIXIOZRPT-UHFFFAOYSA-N 2 2 266.816 3.261 20 0 CGADLP Cc1cccn2c(C[NH2+]Cc3c(C)cccc3F)c[nH+]c12 ZINC000742381109 572572864 /nfs/dbraw/zinc/57/28/64/572572864.db2.gz OWXWCLRFIRZZFP-UHFFFAOYSA-N 2 2 283.350 3.380 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000742389011 572575141 /nfs/dbraw/zinc/57/51/41/572575141.db2.gz WHLCCUVUGOUNOZ-INIZCTEOSA-N 2 2 281.359 3.087 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000806131830 617836382 /nfs/dbraw/zinc/83/63/82/617836382.db2.gz PEGUOGUKIHHMGX-ZNMIVQPWSA-N 2 2 261.413 3.076 20 0 CGADLP CCc1cnc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000234249553 618096475 /nfs/dbraw/zinc/09/64/75/618096475.db2.gz SBBWJBIRPUSDOV-STQMWFEESA-N 2 2 281.469 3.106 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449418 618686673 /nfs/dbraw/zinc/68/66/73/618686673.db2.gz GUPMCMDTTZSSDQ-CHWSQXEVSA-N 2 2 263.429 3.173 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892480015 618803819 /nfs/dbraw/zinc/80/38/19/618803819.db2.gz XGCCXYCANZBQKK-UHFFFAOYSA-N 2 2 282.815 3.008 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926719696 618838829 /nfs/dbraw/zinc/83/88/29/618838829.db2.gz WTHKWWKGMRWPMK-DOTOQJQBSA-N 2 2 296.499 3.146 20 0 CGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746711 618858422 /nfs/dbraw/zinc/85/84/22/618858422.db2.gz SMLUVHZPBKBLBK-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746711 618858423 /nfs/dbraw/zinc/85/84/23/618858423.db2.gz SMLUVHZPBKBLBK-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP COC1CCC(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000892871067 618946150 /nfs/dbraw/zinc/94/61/50/618946150.db2.gz JUOREVWWHQJMMR-UHFFFAOYSA-N 2 2 291.439 3.069 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019959530 618973563 /nfs/dbraw/zinc/97/35/63/618973563.db2.gz XKRLKMNCLKJVDS-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019959530 618973564 /nfs/dbraw/zinc/97/35/64/618973564.db2.gz XKRLKMNCLKJVDS-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP c1csc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000925517631 619010413 /nfs/dbraw/zinc/01/04/13/619010413.db2.gz WGNMIOLBLSWVJM-KGLIPLIRSA-N 2 2 262.422 3.073 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000925519084 619012232 /nfs/dbraw/zinc/01/22/32/619012232.db2.gz RZQWIKPIALKPDM-XBVQOTNRSA-N 2 2 288.435 3.012 20 0 CGADLP Cc1cccc(C)c1C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925583825 619073665 /nfs/dbraw/zinc/07/36/65/619073665.db2.gz OJFCOFQWYXKJBA-QAPCUYQASA-N 2 2 268.404 3.482 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925613026 619087324 /nfs/dbraw/zinc/08/73/24/619087324.db2.gz WMEBTMDMVCFFLP-OPQOLIRYSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925613026 619087325 /nfs/dbraw/zinc/08/73/25/619087325.db2.gz WMEBTMDMVCFFLP-OPQOLIRYSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925613025 619087387 /nfs/dbraw/zinc/08/73/87/619087387.db2.gz WMEBTMDMVCFFLP-HIEASXQVSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925613025 619087388 /nfs/dbraw/zinc/08/73/88/619087388.db2.gz WMEBTMDMVCFFLP-HIEASXQVSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1 ZINC000925683305 619131969 /nfs/dbraw/zinc/13/19/69/619131969.db2.gz NXBNMEUVGQXXSJ-YUTCNCBUSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1 ZINC000925690732 619140048 /nfs/dbraw/zinc/14/00/48/619140048.db2.gz GKKKTFQPRDUPBH-HZCDGDGTSA-N 2 2 284.378 3.360 20 0 CGADLP CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000893535309 619208410 /nfs/dbraw/zinc/20/84/10/619208410.db2.gz VLWNYVHZVSLWLL-CQSZACIVSA-N 2 2 280.412 3.032 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261613723 619292823 /nfs/dbraw/zinc/29/28/23/619292823.db2.gz SXRTVYWHDLRWSQ-ZIAGYGMSSA-N 2 2 254.377 3.101 20 0 CGADLP Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895111146 619734605 /nfs/dbraw/zinc/73/46/05/619734605.db2.gz NPIRSAVETLKIKC-SHTZXODSSA-N 2 2 285.391 3.260 20 0 CGADLP CC[C@@H]1CC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111773 619735682 /nfs/dbraw/zinc/73/56/82/619735682.db2.gz JGALTBVPDWYWOF-KLHDSHLOSA-N 2 2 273.424 3.347 20 0 CGADLP C[C@H]([C@@H]1CC1(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112218 619735797 /nfs/dbraw/zinc/73/57/97/619735797.db2.gz OOSOABYRSSLHHG-SYQHCUMBSA-N 2 2 295.377 3.202 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000895376530 619816095 /nfs/dbraw/zinc/81/60/95/619816095.db2.gz COJIDYJMEFKEPE-BBRMVZONSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000895376530 619816097 /nfs/dbraw/zinc/81/60/97/619816097.db2.gz COJIDYJMEFKEPE-BBRMVZONSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000895379535 619817053 /nfs/dbraw/zinc/81/70/53/619817053.db2.gz LXGRRGSXVOQRSG-GUYCJALGSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000895379535 619817056 /nfs/dbraw/zinc/81/70/56/619817056.db2.gz LXGRRGSXVOQRSG-GUYCJALGSA-N 2 2 291.439 3.104 20 0 CGADLP CCc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000262228488 619818332 /nfs/dbraw/zinc/81/83/32/619818332.db2.gz NOMKWNPOEGYVDE-RRFJBIMHSA-N 2 2 293.480 3.106 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706464 619873091 /nfs/dbraw/zinc/87/30/91/619873091.db2.gz LBTZQHXOIIRAFF-HRCADAONSA-N 2 2 287.432 3.108 20 0 CGADLP CC[C@@](C)(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706417 619873191 /nfs/dbraw/zinc/87/31/91/619873191.db2.gz KJBQHKOGFBSBGD-SJORKVTESA-N 2 2 287.407 3.029 20 0 CGADLP CC[C@@](C)(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706415 619873320 /nfs/dbraw/zinc/87/33/20/619873320.db2.gz KJBQHKOGFBSBGD-IRXDYDNUSA-N 2 2 287.407 3.029 20 0 CGADLP CSC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000896195213 619965993 /nfs/dbraw/zinc/96/59/93/619965993.db2.gz XLGPLFRAJVHKHM-UHFFFAOYSA-N 2 2 291.464 3.244 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000067500879 620150233 /nfs/dbraw/zinc/15/02/33/620150233.db2.gz VSEAZTQMQMYVMR-CYBMUJFWSA-N 2 2 271.408 3.234 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)cc2)c[nH+]1 ZINC000897952284 620453805 /nfs/dbraw/zinc/45/38/05/620453805.db2.gz FFWJOKMFFBPQDB-USXIJHARSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982212 620462104 /nfs/dbraw/zinc/46/21/04/620462104.db2.gz YBAPPENCABHWSK-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000924661227 620557794 /nfs/dbraw/zinc/55/77/94/620557794.db2.gz NWVVODAEKRYXBG-RVKKMQEKSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000924661227 620557798 /nfs/dbraw/zinc/55/77/98/620557798.db2.gz NWVVODAEKRYXBG-RVKKMQEKSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924682677 620561789 /nfs/dbraw/zinc/56/17/89/620561789.db2.gz CZPSPEVHQRGZRG-MJBXVCDLSA-N 2 2 293.455 3.310 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924682677 620561791 /nfs/dbraw/zinc/56/17/91/620561791.db2.gz CZPSPEVHQRGZRG-MJBXVCDLSA-N 2 2 293.455 3.310 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)cc(Cl)c1 ZINC000902418021 621310390 /nfs/dbraw/zinc/31/03/90/621310390.db2.gz UKDBLHBYOINPDU-MRVPVSSYSA-N 2 2 259.180 3.135 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000902436560 621318442 /nfs/dbraw/zinc/31/84/42/621318442.db2.gz ZRXFEWYOYWOSNL-GUDVDZBRSA-N 2 2 293.414 3.137 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437469 621318695 /nfs/dbraw/zinc/31/86/95/621318695.db2.gz IWMPTPDPFZLITL-NILFDRSVSA-N 2 2 272.417 3.332 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000902444723 621322788 /nfs/dbraw/zinc/32/27/88/621322788.db2.gz OQXKKWJAHUOFHT-BFYDXBDKSA-N 2 2 284.428 3.340 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902468436 621340097 /nfs/dbraw/zinc/34/00/97/621340097.db2.gz TWPFLLDTJKKRNB-SPCAWNFKSA-N 2 2 256.393 3.108 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000902483272 621353155 /nfs/dbraw/zinc/35/31/55/621353155.db2.gz QLQOJOBHLJTGPO-DOTOQJQBSA-N 2 2 298.434 3.055 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000902720060 621408395 /nfs/dbraw/zinc/40/83/95/621408395.db2.gz DCOOQFLEFGHFAR-KBXCAEBGSA-N 2 2 299.418 3.195 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)[nH+]c1 ZINC000902789416 621447308 /nfs/dbraw/zinc/44/73/08/621447308.db2.gz JVNVTMBPXONRQQ-MUJYYYPQSA-N 2 2 273.424 3.442 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025733 621542204 /nfs/dbraw/zinc/54/22/04/621542204.db2.gz HYNKGKRNESTMDK-DOMZBBRYSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C[NH3+])C1 ZINC000903463569 621753019 /nfs/dbraw/zinc/75/30/19/621753019.db2.gz DZHGFVHMZJTINW-SLBVQIDZSA-N 2 2 294.389 3.095 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H](C[NH3+])C1 ZINC000903463569 621753022 /nfs/dbraw/zinc/75/30/22/621753022.db2.gz DZHGFVHMZJTINW-SLBVQIDZSA-N 2 2 294.389 3.095 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803204 621812001 /nfs/dbraw/zinc/81/20/01/621812001.db2.gz WVWZEMWLGNBIHM-GOEBONIOSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803204 621812003 /nfs/dbraw/zinc/81/20/03/621812003.db2.gz WVWZEMWLGNBIHM-GOEBONIOSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2scnc2Cl)CCC1 ZINC000903812104 621813919 /nfs/dbraw/zinc/81/39/19/621813919.db2.gz PUCOPHLJPPMTEY-GFCCVEGCSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2scnc2Cl)CCC1 ZINC000903812104 621813921 /nfs/dbraw/zinc/81/39/21/621813921.db2.gz PUCOPHLJPPMTEY-GFCCVEGCSA-N 2 2 299.871 3.280 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858210 621821633 /nfs/dbraw/zinc/82/16/33/621821633.db2.gz HPLHACIFMIFBEJ-SJLPKXTDSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858210 621821634 /nfs/dbraw/zinc/82/16/34/621821634.db2.gz HPLHACIFMIFBEJ-SJLPKXTDSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903878892 621825419 /nfs/dbraw/zinc/82/54/19/621825419.db2.gz MROQOJVLXJTJLK-KGLIPLIRSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903878892 621825420 /nfs/dbraw/zinc/82/54/20/621825420.db2.gz MROQOJVLXJTJLK-KGLIPLIRSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917096 621836254 /nfs/dbraw/zinc/83/62/54/621836254.db2.gz KTRKFLXVGOEIMC-KBPBESRZSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917096 621836256 /nfs/dbraw/zinc/83/62/56/621836256.db2.gz KTRKFLXVGOEIMC-KBPBESRZSA-N 2 2 282.378 3.075 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC000903942290 621838343 /nfs/dbraw/zinc/83/83/43/621838343.db2.gz MMWJCQSVRXUJEL-UHFFFAOYSA-N 2 2 299.443 3.038 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC000903942290 621838346 /nfs/dbraw/zinc/83/83/46/621838346.db2.gz MMWJCQSVRXUJEL-UHFFFAOYSA-N 2 2 299.443 3.038 20 0 CGADLP Cc1csc([C@@H]2CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384855 621917191 /nfs/dbraw/zinc/91/71/91/621917191.db2.gz ODOAOTOPODGPRP-KGLIPLIRSA-N 2 2 295.496 3.394 20 0 CGADLP Cc1csc([C@@H]2CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384855 621917193 /nfs/dbraw/zinc/91/71/93/621917193.db2.gz ODOAOTOPODGPRP-KGLIPLIRSA-N 2 2 295.496 3.394 20 0 CGADLP CCCC[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000906529124 622243998 /nfs/dbraw/zinc/24/39/98/622243998.db2.gz GMNWQTUHJRJNJJ-INIZCTEOSA-N 2 2 290.451 3.276 20 0 CGADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906588907 622250235 /nfs/dbraw/zinc/25/02/35/622250235.db2.gz IKGWBZTYMHKRTE-IAGOWNOFSA-N 2 2 290.426 3.488 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000224599394 622880540 /nfs/dbraw/zinc/88/05/40/622880540.db2.gz WHCOAMUXENEYJX-KGLIPLIRSA-N 2 2 251.418 3.466 20 0 CGADLP CCC[C@H](CC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000224599438 622880847 /nfs/dbraw/zinc/88/08/47/622880847.db2.gz WHCOAMUXENEYJX-KBPBESRZSA-N 2 2 251.418 3.466 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000062103502 623198192 /nfs/dbraw/zinc/19/81/92/623198192.db2.gz CGYFKWNEUQLEOC-UHFFFAOYSA-N 2 2 250.386 3.024 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000062103502 623198200 /nfs/dbraw/zinc/19/82/00/623198200.db2.gz CGYFKWNEUQLEOC-UHFFFAOYSA-N 2 2 250.386 3.024 20 0 CGADLP CS[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000921529325 625649957 /nfs/dbraw/zinc/64/99/57/625649957.db2.gz XKVFLFHKHDKJIY-ZFWWWQNUSA-N 2 2 293.480 3.026 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccsc1Cl ZINC000312786981 623607828 /nfs/dbraw/zinc/60/78/28/623607828.db2.gz VXCRBRVLJTYKQV-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccsc1Cl ZINC000312786981 623607829 /nfs/dbraw/zinc/60/78/29/623607829.db2.gz VXCRBRVLJTYKQV-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153209921 623820526 /nfs/dbraw/zinc/82/05/26/623820526.db2.gz MNXINEJSMFBVOV-IRXDYDNUSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153209921 623820527 /nfs/dbraw/zinc/82/05/27/623820527.db2.gz MNXINEJSMFBVOV-IRXDYDNUSA-N 2 2 288.435 3.147 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000916839026 624217451 /nfs/dbraw/zinc/21/74/51/624217451.db2.gz PVOQJHUYBQHPKJ-UHFFFAOYSA-N 2 2 275.440 3.349 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925478260 624452090 /nfs/dbraw/zinc/45/20/90/624452090.db2.gz ICDIQZCVIHRTCC-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000921493579 624595234 /nfs/dbraw/zinc/59/52/34/624595234.db2.gz RJBYQNRNNKLJLI-UHFFFAOYSA-N 2 2 295.858 3.442 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000921794475 625877835 /nfs/dbraw/zinc/87/78/35/625877835.db2.gz MQOWDLMHTVMYKK-BFHYXJOUSA-N 2 2 279.453 3.024 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000922293092 625993761 /nfs/dbraw/zinc/99/37/61/625993761.db2.gz LKOJEHHGMHFFPX-CWRNSKLLSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000922293092 625993762 /nfs/dbraw/zinc/99/37/62/625993762.db2.gz LKOJEHHGMHFFPX-CWRNSKLLSA-N 2 2 282.497 3.267 20 0 CGADLP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922735970 626039358 /nfs/dbraw/zinc/03/93/58/626039358.db2.gz YNNPIYHSDIELQC-GXTWGEPZSA-N 2 2 295.308 3.160 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000840741596 626092317 /nfs/dbraw/zinc/09/23/17/626092317.db2.gz ZPEYCQKWENOQEK-QGTPRVQTSA-N 2 2 287.451 3.285 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3([C@H]4CCCCO4)CC3)cc2)c[nH+]1 ZINC000923028149 626119539 /nfs/dbraw/zinc/11/95/39/626119539.db2.gz UMZDLJYIPAUVMH-QGZVFWFLSA-N 2 2 297.402 3.064 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000923413479 626151879 /nfs/dbraw/zinc/15/18/79/626151879.db2.gz GDYMUUZNCKABAP-QGZVFWFLSA-N 2 2 293.455 3.169 20 0 CGADLP CC(C)(C)c1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)co1 ZINC000923413479 626151881 /nfs/dbraw/zinc/15/18/81/626151881.db2.gz GDYMUUZNCKABAP-QGZVFWFLSA-N 2 2 293.455 3.169 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1Cl ZINC000765040463 627237991 /nfs/dbraw/zinc/23/79/91/627237991.db2.gz WGKLTVFTSCIQND-RWMBFGLXSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1Cl ZINC000765040463 627237992 /nfs/dbraw/zinc/23/79/92/627237992.db2.gz WGKLTVFTSCIQND-RWMBFGLXSA-N 2 2 279.815 3.012 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765248571 627243448 /nfs/dbraw/zinc/24/34/48/627243448.db2.gz FRGYQIMLSHVOLS-CABCVRRESA-N 2 2 281.444 3.093 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1(C)C ZINC000765808826 627272329 /nfs/dbraw/zinc/27/23/29/627272329.db2.gz JSXQBQRNDYHJMK-BZUAXINKSA-N 2 2 282.472 3.043 20 0 CGADLP CCCCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000765857171 627275445 /nfs/dbraw/zinc/27/54/45/627275445.db2.gz AKTRVOVFVUYDLX-OAHLLOKOSA-N 2 2 284.488 3.434 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766267699 627308175 /nfs/dbraw/zinc/30/81/75/627308175.db2.gz IBXAAKWRDTYHJO-RDTXWAMCSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766267699 627308178 /nfs/dbraw/zinc/30/81/78/627308178.db2.gz IBXAAKWRDTYHJO-RDTXWAMCSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)cc1 ZINC000766267081 627308234 /nfs/dbraw/zinc/30/82/34/627308234.db2.gz DPXOUTDLBBPNJK-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)cc1 ZINC000766267081 627308236 /nfs/dbraw/zinc/30/82/36/627308236.db2.gz DPXOUTDLBBPNJK-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1C ZINC000766272988 627310037 /nfs/dbraw/zinc/31/00/37/627310037.db2.gz MMCJDKFGXQNWIT-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1C ZINC000766272988 627310038 /nfs/dbraw/zinc/31/00/38/627310038.db2.gz MMCJDKFGXQNWIT-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766271953 627310103 /nfs/dbraw/zinc/31/01/03/627310103.db2.gz WMKVQHPGTUWFGR-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766271953 627310107 /nfs/dbraw/zinc/31/01/07/627310107.db2.gz WMKVQHPGTUWFGR-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCO2 ZINC000766271328 627310397 /nfs/dbraw/zinc/31/03/97/627310397.db2.gz DCPCWCPNABHCDB-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCO2 ZINC000766271328 627310398 /nfs/dbraw/zinc/31/03/98/627310398.db2.gz DCPCWCPNABHCDB-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000769870186 627585359 /nfs/dbraw/zinc/58/53/59/627585359.db2.gz FCVLDERYVOFKHU-GFCCVEGCSA-N 2 2 288.395 3.093 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1OC ZINC000809749853 630799237 /nfs/dbraw/zinc/79/92/37/630799237.db2.gz KYKTWNXQLVUDOA-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1OC ZINC000809749853 630799241 /nfs/dbraw/zinc/79/92/41/630799241.db2.gz KYKTWNXQLVUDOA-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000810148451 630847193 /nfs/dbraw/zinc/84/71/93/630847193.db2.gz ZSKYFPDCVHUJHJ-IMJJTQAJSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000810148451 630847198 /nfs/dbraw/zinc/84/71/98/630847198.db2.gz ZSKYFPDCVHUJHJ-IMJJTQAJSA-N 2 2 250.430 3.053 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3C[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000813863460 631473154 /nfs/dbraw/zinc/47/31/54/631473154.db2.gz LGFLNAJBKNHLHA-RVKKMQEKSA-N 2 2 287.451 3.285 20 0 CGADLP CC1=CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000816536591 632005291 /nfs/dbraw/zinc/00/52/91/632005291.db2.gz DHECAESWSOVHFO-GJZGRUSLSA-N 2 2 261.413 3.386 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817942358 632240449 /nfs/dbraw/zinc/24/04/49/632240449.db2.gz XZGBZTJUVHJIBF-PWSUYJOCSA-N 2 2 286.391 3.404 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817942357 632240685 /nfs/dbraw/zinc/24/06/85/632240685.db2.gz XZGBZTJUVHJIBF-JQWIXIFHSA-N 2 2 286.391 3.404 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000817949884 632247009 /nfs/dbraw/zinc/24/70/09/632247009.db2.gz OSTOUSFTSBHAHT-JSGCOSHPSA-N 2 2 296.842 3.450 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000817968881 632261413 /nfs/dbraw/zinc/26/14/13/632261413.db2.gz OMYUDRWDHCCPMB-IFUGULHKSA-N 2 2 296.842 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1Cl ZINC000817986499 632274445 /nfs/dbraw/zinc/27/44/45/632274445.db2.gz QQXQZZSFYSVXHM-NWDGAFQWSA-N 2 2 279.815 3.060 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1Cl ZINC000817986498 632274912 /nfs/dbraw/zinc/27/49/12/632274912.db2.gz QQXQZZSFYSVXHM-NEPJUHHUSA-N 2 2 279.815 3.060 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000865815358 632899099 /nfs/dbraw/zinc/89/90/99/632899099.db2.gz VNZTYILSVLCKNK-UONOGXRCSA-N 2 2 276.424 3.294 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000865815358 632899103 /nfs/dbraw/zinc/89/91/03/632899103.db2.gz VNZTYILSVLCKNK-UONOGXRCSA-N 2 2 276.424 3.294 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@@H+]1C ZINC000866574182 633201025 /nfs/dbraw/zinc/20/10/25/633201025.db2.gz QGOWJOVRGNTBII-QWHCGFSZSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574182 633201028 /nfs/dbraw/zinc/20/10/28/633201028.db2.gz QGOWJOVRGNTBII-QWHCGFSZSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583213 633202976 /nfs/dbraw/zinc/20/29/76/633202976.db2.gz IRLACKGPIKCIIE-IOASZLSFSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583213 633202982 /nfs/dbraw/zinc/20/29/82/633202982.db2.gz IRLACKGPIKCIIE-IOASZLSFSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583213 633202987 /nfs/dbraw/zinc/20/29/87/633202987.db2.gz IRLACKGPIKCIIE-IOASZLSFSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583213 633202991 /nfs/dbraw/zinc/20/29/91/633202991.db2.gz IRLACKGPIKCIIE-IOASZLSFSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583216 633203302 /nfs/dbraw/zinc/20/33/02/633203302.db2.gz IRLACKGPIKCIIE-WWGRRREGSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583216 633203307 /nfs/dbraw/zinc/20/33/07/633203307.db2.gz IRLACKGPIKCIIE-WWGRRREGSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583216 633203313 /nfs/dbraw/zinc/20/33/13/633203313.db2.gz IRLACKGPIKCIIE-WWGRRREGSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583216 633203319 /nfs/dbraw/zinc/20/33/19/633203319.db2.gz IRLACKGPIKCIIE-WWGRRREGSA-N 2 2 278.827 3.427 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000872016669 633936781 /nfs/dbraw/zinc/93/67/81/633936781.db2.gz MFGZHDCOFLVEBZ-SNVBAGLBSA-N 2 2 254.340 3.037 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[NH+](CC)CC ZINC000872016532 633936835 /nfs/dbraw/zinc/93/68/35/633936835.db2.gz LACCPHGRAQYAJX-LLVKDONJSA-N 2 2 254.340 3.039 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000872022651 633943184 /nfs/dbraw/zinc/94/31/84/633943184.db2.gz KNAQPHZSIHAOBB-NXOAAHMSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000872022651 633943186 /nfs/dbraw/zinc/94/31/86/633943186.db2.gz KNAQPHZSIHAOBB-NXOAAHMSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCCOC1 ZINC000872029095 633948236 /nfs/dbraw/zinc/94/82/36/633948236.db2.gz VRFXMCCJQHKFCW-IRXDYDNUSA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)[C@H]1CCCOC1 ZINC000872036194 633955898 /nfs/dbraw/zinc/95/58/98/633955898.db2.gz SRWJJMLTOFOXKG-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)[C@H]1CCCOC1 ZINC000872036194 633955900 /nfs/dbraw/zinc/95/59/00/633955900.db2.gz SRWJJMLTOFOXKG-ULQDDVLXSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872085917 634011906 /nfs/dbraw/zinc/01/19/06/634011906.db2.gz QMAXPDGLIIAZTO-SJORKVTESA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc([C@@H]4C[C@H]4[NH3+])cc3)n2c1 ZINC000873215126 634287653 /nfs/dbraw/zinc/28/76/53/634287653.db2.gz RZUQNZSGAZGZPQ-DLBZAZTESA-N 2 2 292.386 3.069 20 0 CGADLP CSC(C)(C)CC[NH2+]CCCCNc1cccc[nH+]1 ZINC000877006544 634948129 /nfs/dbraw/zinc/94/81/29/634948129.db2.gz MDWMCLQLDQSNFT-UHFFFAOYSA-N 2 2 281.469 3.395 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cnc1Cl ZINC000841088337 635119370 /nfs/dbraw/zinc/11/93/70/635119370.db2.gz VAEOPUWZFFMASN-GJZGRUSLSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cnc1Cl ZINC000841088337 635119394 /nfs/dbraw/zinc/11/93/94/635119394.db2.gz VAEOPUWZFFMASN-GJZGRUSLSA-N 2 2 293.842 3.007 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000877650845 635131255 /nfs/dbraw/zinc/13/12/55/635131255.db2.gz OLAFXOZWXZZRLA-AAEUAGOBSA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000877650845 635131258 /nfs/dbraw/zinc/13/12/58/635131258.db2.gz OLAFXOZWXZZRLA-AAEUAGOBSA-N 2 2 291.266 3.177 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877739115 635173928 /nfs/dbraw/zinc/17/39/28/635173928.db2.gz FKYFPOBDUUQNRS-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877739115 635173932 /nfs/dbraw/zinc/17/39/32/635173932.db2.gz FKYFPOBDUUQNRS-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877739115 635173935 /nfs/dbraw/zinc/17/39/35/635173935.db2.gz FKYFPOBDUUQNRS-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877739115 635173939 /nfs/dbraw/zinc/17/39/39/635173939.db2.gz FKYFPOBDUUQNRS-RDJZCZTQSA-N 2 2 290.476 3.325 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744498 635179551 /nfs/dbraw/zinc/17/95/51/635179551.db2.gz UVWTVNSVMGCEDJ-LUQLLCLNSA-N 2 2 290.838 3.379 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744498 635179555 /nfs/dbraw/zinc/17/95/55/635179555.db2.gz UVWTVNSVMGCEDJ-LUQLLCLNSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744498 635179558 /nfs/dbraw/zinc/17/95/58/635179558.db2.gz UVWTVNSVMGCEDJ-LUQLLCLNSA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)CC[C@@H]21 ZINC000877744498 635179562 /nfs/dbraw/zinc/17/95/62/635179562.db2.gz UVWTVNSVMGCEDJ-LUQLLCLNSA-N 2 2 290.838 3.379 20 0 CGADLP CC1(C)CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)OC1 ZINC000877971427 635297368 /nfs/dbraw/zinc/29/73/68/635297368.db2.gz WVNBUOBUYAUKGQ-KRWDZBQOSA-N 2 2 294.483 3.142 20 0 CGADLP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000878491197 635531314 /nfs/dbraw/zinc/53/13/14/635531314.db2.gz HLBCWKFBGGJZFX-FPZRGXOSSA-N 2 2 285.435 3.014 20 0 CGADLP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000878491197 635531322 /nfs/dbraw/zinc/53/13/22/635531322.db2.gz HLBCWKFBGGJZFX-FPZRGXOSSA-N 2 2 285.435 3.014 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140325 635923097 /nfs/dbraw/zinc/92/30/97/635923097.db2.gz AXWJWZYQLIBQJX-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140325 635923099 /nfs/dbraw/zinc/92/30/99/635923099.db2.gz AXWJWZYQLIBQJX-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccc(Cl)cc1 ZINC000880140325 635923101 /nfs/dbraw/zinc/92/31/01/635923101.db2.gz AXWJWZYQLIBQJX-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccc(Cl)cc1 ZINC000880140325 635923103 /nfs/dbraw/zinc/92/31/03/635923103.db2.gz AXWJWZYQLIBQJX-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP c1cn(C[C@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc2)c[nH+]1 ZINC000880568597 636022917 /nfs/dbraw/zinc/02/29/17/636022917.db2.gz BEJTXOSPUFAJEH-MSOLQXFVSA-N 2 2 299.418 3.173 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1sccc1Cl ZINC000883165483 636562563 /nfs/dbraw/zinc/56/25/63/636562563.db2.gz FXEJTQWGNNBZQK-LLVKDONJSA-N 2 2 269.801 3.339 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345458 636689988 /nfs/dbraw/zinc/68/99/88/636689988.db2.gz COOSOKVIVWDFIE-KDOFPFPSSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883345458 636689993 /nfs/dbraw/zinc/68/99/93/636689993.db2.gz COOSOKVIVWDFIE-KDOFPFPSSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387502 636728697 /nfs/dbraw/zinc/72/86/97/636728697.db2.gz YVOBQMNRAZOCLL-WMLDXEAASA-N 2 2 269.392 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cncs1 ZINC000883387169 636728854 /nfs/dbraw/zinc/72/88/54/636728854.db2.gz SNGZXKMODFYYDD-HIFRSBDPSA-N 2 2 298.415 3.432 20 0 CGADLP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429071 636751988 /nfs/dbraw/zinc/75/19/88/636751988.db2.gz KUDNPJFGVDBAHF-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP C[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429071 636751993 /nfs/dbraw/zinc/75/19/93/636751993.db2.gz KUDNPJFGVDBAHF-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP Fc1cc2cccnc2c(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458516 636761426 /nfs/dbraw/zinc/76/14/26/636761426.db2.gz MSBYOYZXHBFQGJ-UHFFFAOYSA-N 2 2 299.393 3.092 20 0 CGADLP Fc1cc2cccnc2c(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458516 636761434 /nfs/dbraw/zinc/76/14/34/636761434.db2.gz MSBYOYZXHBFQGJ-UHFFFAOYSA-N 2 2 299.393 3.092 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000850344058 637021436 /nfs/dbraw/zinc/02/14/36/637021436.db2.gz VSOWBSVRSBBDJJ-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1C ZINC000850344058 637021438 /nfs/dbraw/zinc/02/14/38/637021438.db2.gz VSOWBSVRSBBDJJ-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000885967256 637336771 /nfs/dbraw/zinc/33/67/71/637336771.db2.gz KYLKSBAQJOLIBU-HOTGVXAUSA-N 2 2 291.439 3.211 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000886168117 637446188 /nfs/dbraw/zinc/44/61/88/637446188.db2.gz JAGYARDMBNAXHB-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000886168117 637446195 /nfs/dbraw/zinc/44/61/95/637446195.db2.gz JAGYARDMBNAXHB-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(O)cc(F)c1 ZINC000924841632 638412640 /nfs/dbraw/zinc/41/26/40/638412640.db2.gz CKRMUKRSTIWODQ-GFCCVEGCSA-N 2 2 292.398 3.199 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924848647 638413528 /nfs/dbraw/zinc/41/35/28/638413528.db2.gz YVONVNGRUFHNIS-CQSZACIVSA-N 2 2 291.439 3.005 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925553346 638527624 /nfs/dbraw/zinc/52/76/24/638527624.db2.gz PAPPJETZTGNRFC-RHSMWYFYSA-N 2 2 288.435 3.409 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925654411 638558405 /nfs/dbraw/zinc/55/84/05/638558405.db2.gz LTVPPDIQSDRBOE-IZXHCYBQSA-N 2 2 288.460 3.056 20 0 CGADLP CCO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925658177 638559574 /nfs/dbraw/zinc/55/95/74/638559574.db2.gz HAYPIOUVPFSMQX-IRXDYDNUSA-N 2 2 288.435 3.029 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000925712601 638576179 /nfs/dbraw/zinc/57/61/79/638576179.db2.gz IBMYLFSDBIQPSK-SCLBCKFNSA-N 2 2 295.386 3.048 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925732257 638586619 /nfs/dbraw/zinc/58/66/19/638586619.db2.gz PGVVKRUTZBJXDS-QKHJWGRCSA-N 2 2 295.430 3.308 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000925761331 638600655 /nfs/dbraw/zinc/60/06/55/638600655.db2.gz ZPMPJFNTMMCPCL-HNNXBMFYSA-N 2 2 296.842 3.231 20 0 CGADLP Cc1cc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]c1C ZINC000925768833 638605078 /nfs/dbraw/zinc/60/50/78/638605078.db2.gz LHYJPEDYOSBOLV-CVEARBPZSA-N 2 2 253.349 3.255 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1coc2ccccc12 ZINC000926230336 638748099 /nfs/dbraw/zinc/74/80/99/638748099.db2.gz SILFNLOWSCGJOI-QWHCGFSZSA-N 2 2 281.359 3.295 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230092 638748547 /nfs/dbraw/zinc/74/85/47/638748547.db2.gz QWODNWHGPMIREE-YCPHGPKFSA-N 2 2 273.424 3.313 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccns1 ZINC000926861826 638818534 /nfs/dbraw/zinc/81/85/34/638818534.db2.gz CCMKXVMGNWJWKN-UKRRQHHQSA-N 2 2 298.415 3.432 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000929783368 638951187 /nfs/dbraw/zinc/95/11/87/638951187.db2.gz PWMSMZIEMFFDIM-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000929783368 638951190 /nfs/dbraw/zinc/95/11/90/638951190.db2.gz PWMSMZIEMFFDIM-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783368 638951192 /nfs/dbraw/zinc/95/11/92/638951192.db2.gz PWMSMZIEMFFDIM-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783368 638951194 /nfs/dbraw/zinc/95/11/94/638951194.db2.gz PWMSMZIEMFFDIM-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[NH+]1C[C@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@@]2(C)C1 ZINC000931314589 639133018 /nfs/dbraw/zinc/13/30/18/639133018.db2.gz PROOHAVPRZUBIH-RTBURBONSA-N 2 2 295.430 3.008 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349965 639138621 /nfs/dbraw/zinc/13/86/21/639138621.db2.gz CIGJOLKUCICJIW-CYBMUJFWSA-N 2 2 264.388 3.303 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511878 639162441 /nfs/dbraw/zinc/16/24/41/639162441.db2.gz CHRXZTDKZGAFNY-KRWDZBQOSA-N 2 2 285.366 3.312 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511878 639162445 /nfs/dbraw/zinc/16/24/45/639162445.db2.gz CHRXZTDKZGAFNY-KRWDZBQOSA-N 2 2 285.366 3.312 20 0 CGADLP c1cc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)co1 ZINC000934002660 639519833 /nfs/dbraw/zinc/51/98/33/639519833.db2.gz WLTDPQZQGYYEFG-UHFFFAOYSA-N 2 2 262.397 3.120 20 0 CGADLP c1cc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)co1 ZINC000934002660 639519840 /nfs/dbraw/zinc/51/98/40/639519840.db2.gz WLTDPQZQGYYEFG-UHFFFAOYSA-N 2 2 262.397 3.120 20 0 CGADLP Cc1cc(C)cc(C2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000934799248 639679206 /nfs/dbraw/zinc/67/92/06/639679206.db2.gz JIJQDMCPJKXEDX-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC(C)C[C@](C)(C[NH3+])[NH2+]Cc1ccccc1Br ZINC001575530490 962373309 /nfs/dbraw/zinc/37/33/09/962373309.db2.gz CSXLHSQRLZIUFR-CQSZACIVSA-N 2 2 299.256 3.302 20 0 CGADLP C[NH+]1CCN(c2ccc3[nH]c([C@@H]4CC=CCC4)[nH+]c3c2)CC1 ZINC001250415513 805601716 /nfs/dbraw/zinc/60/17/16/805601716.db2.gz DSDYBMIXCPDMPN-CQSZACIVSA-N 2 2 296.418 3.138 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001156390074 805683161 /nfs/dbraw/zinc/68/31/61/805683161.db2.gz UTAHNDRRUQIUDG-ZDUSSCGKSA-N 2 2 281.831 3.496 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001156390074 805683165 /nfs/dbraw/zinc/68/31/65/805683165.db2.gz UTAHNDRRUQIUDG-ZDUSSCGKSA-N 2 2 281.831 3.496 20 0 CGADLP Cc1nc(NCC2CC[NH+](C(C)C)CC2)cc(C(C)C)[nH+]1 ZINC001156495561 805703858 /nfs/dbraw/zinc/70/38/58/805703858.db2.gz HNBRHJDGUKJOIU-UHFFFAOYSA-N 2 2 290.455 3.441 20 0 CGADLP COc1ccc2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c2c1 ZINC001156980722 805763326 /nfs/dbraw/zinc/76/33/26/805763326.db2.gz NQAQDMFIQPKQJP-UHFFFAOYSA-N 2 2 294.358 3.141 20 0 CGADLP CSc1cc[nH+]c(N(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001157891787 805899527 /nfs/dbraw/zinc/89/95/27/805899527.db2.gz REHQZFKXTBIZHT-UHFFFAOYSA-N 2 2 293.480 3.408 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1[nH+]cc(C)cc1N ZINC001158739567 805993979 /nfs/dbraw/zinc/99/39/79/805993979.db2.gz ZZGVSVISWCELCC-AWEZNQCLSA-N 2 2 282.391 3.212 20 0 CGADLP CCSc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)c1 ZINC001158760424 805998596 /nfs/dbraw/zinc/99/85/96/805998596.db2.gz VUYVEAORSHNCNM-UHFFFAOYSA-N 2 2 267.442 3.336 20 0 CGADLP CN(C)c1ccc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159113426 806043411 /nfs/dbraw/zinc/04/34/11/806043411.db2.gz QPIYDRHNHLBMMC-MRXNPFEDSA-N 2 2 282.391 3.316 20 0 CGADLP c1[nH]c2c(cccc2Nc2ccc([C@@H]3CC[NH2+]C3)cc2)[nH+]1 ZINC001159776216 806170584 /nfs/dbraw/zinc/17/05/84/806170584.db2.gz CBDUIYDJUJNYHS-CYBMUJFWSA-N 2 2 278.359 3.383 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)c1ccccc1Cl ZINC001253209271 806183166 /nfs/dbraw/zinc/18/31/66/806183166.db2.gz DBYJVIDHSCPNEY-CJNGLKHVSA-N 2 2 298.858 3.083 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001254500620 806421858 /nfs/dbraw/zinc/42/18/58/806421858.db2.gz WUXNTMGSAALPJC-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001254500620 806421865 /nfs/dbraw/zinc/42/18/65/806421865.db2.gz WUXNTMGSAALPJC-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529487 806443333 /nfs/dbraw/zinc/44/33/33/806443333.db2.gz MKPJHJLMRHMHBQ-OAHLLOKOSA-N 2 2 264.800 3.140 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529487 806443336 /nfs/dbraw/zinc/44/33/36/806443336.db2.gz MKPJHJLMRHMHBQ-OAHLLOKOSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529487 806443341 /nfs/dbraw/zinc/44/33/41/806443341.db2.gz MKPJHJLMRHMHBQ-OAHLLOKOSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC001254529487 806443344 /nfs/dbraw/zinc/44/33/44/806443344.db2.gz MKPJHJLMRHMHBQ-OAHLLOKOSA-N 2 2 264.800 3.140 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)c(C)c1 ZINC001254836172 806493097 /nfs/dbraw/zinc/49/30/97/806493097.db2.gz KXLHHDHKCRCATF-KRWDZBQOSA-N 2 2 272.436 3.186 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c(C)c1 ZINC001254836174 806493278 /nfs/dbraw/zinc/49/32/78/806493278.db2.gz KXLHHDHKCRCATF-QGZVFWFLSA-N 2 2 272.436 3.186 20 0 CGADLP FC1(F)CCC2(C[C@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254844393 806497114 /nfs/dbraw/zinc/49/71/14/806497114.db2.gz JCLDEKRSCIOIEM-ZIAGYGMSSA-N 2 2 284.394 3.028 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254844705 806497706 /nfs/dbraw/zinc/49/77/06/806497706.db2.gz LITCJHQTVBFBND-HNNXBMFYSA-N 2 2 286.444 3.475 20 0 CGADLP C[N@H+](CCF)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150739 806553996 /nfs/dbraw/zinc/55/39/96/806553996.db2.gz YMKRZAFCGMJBAG-FVQHAEBGSA-N 2 2 276.399 3.083 20 0 CGADLP C[N@@H+](CCF)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150739 806554004 /nfs/dbraw/zinc/55/40/04/806554004.db2.gz YMKRZAFCGMJBAG-FVQHAEBGSA-N 2 2 276.399 3.083 20 0 CGADLP C[NH+](CCF)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150739 806554009 /nfs/dbraw/zinc/55/40/09/806554009.db2.gz YMKRZAFCGMJBAG-FVQHAEBGSA-N 2 2 276.399 3.083 20 0 CGADLP C[NH+](CCF)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150739 806554018 /nfs/dbraw/zinc/55/40/18/806554018.db2.gz YMKRZAFCGMJBAG-FVQHAEBGSA-N 2 2 276.399 3.083 20 0 CGADLP Cc1ccc2cc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]cc2c1 ZINC001162393454 806574686 /nfs/dbraw/zinc/57/46/86/806574686.db2.gz VKHCHXQRGZNSIU-HUUCEWRRSA-N 2 2 255.365 3.225 20 0 CGADLP Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001162423631 806583265 /nfs/dbraw/zinc/58/32/65/806583265.db2.gz BVRHUAOYMHETHH-CABCVRRESA-N 2 2 288.439 3.337 20 0 CGADLP CCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001255325899 806612916 /nfs/dbraw/zinc/61/29/16/806612916.db2.gz KXAZVVOXAQOFEZ-YESZJQIVSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001255325899 806612921 /nfs/dbraw/zinc/61/29/21/806612921.db2.gz KXAZVVOXAQOFEZ-YESZJQIVSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001255325899 806612926 /nfs/dbraw/zinc/61/29/26/806612926.db2.gz KXAZVVOXAQOFEZ-YESZJQIVSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001255325899 806612927 /nfs/dbraw/zinc/61/29/27/806612927.db2.gz KXAZVVOXAQOFEZ-YESZJQIVSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001255335013 806621363 /nfs/dbraw/zinc/62/13/63/806621363.db2.gz ZBIZDXCMPFNWPA-ZDUSSCGKSA-N 2 2 279.403 3.358 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)on1 ZINC001255383929 806630770 /nfs/dbraw/zinc/63/07/70/806630770.db2.gz PZWCAZHBRZOUEE-QGZVFWFLSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)on1 ZINC001255383929 806630774 /nfs/dbraw/zinc/63/07/74/806630774.db2.gz PZWCAZHBRZOUEE-QGZVFWFLSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1ccsc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156315 798859865 /nfs/dbraw/zinc/85/98/65/798859865.db2.gz ATHLXWBSHVNBFZ-AWEZNQCLSA-N 2 2 277.437 3.458 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156018 798860960 /nfs/dbraw/zinc/86/09/60/798860960.db2.gz MGANJSFKOBAFMD-MJBXVCDLSA-N 2 2 251.418 3.322 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1F ZINC000037156770 798862073 /nfs/dbraw/zinc/86/20/73/798862073.db2.gz IKXCCQPZGUDCHZ-OAHLLOKOSA-N 2 2 275.371 3.227 20 0 CGADLP Cc1[nH+]c(NCc2ccc3[nH+]ccn3c2)cc2[nH]ccc21 ZINC001163139752 806706202 /nfs/dbraw/zinc/70/62/02/806706202.db2.gz WDRPMEFLFLZLTF-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711540 806715617 /nfs/dbraw/zinc/71/56/17/806715617.db2.gz XXEVZPHLRNGTEV-DGCLKSJQSA-N 2 2 278.362 3.134 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711540 806715621 /nfs/dbraw/zinc/71/56/21/806715621.db2.gz XXEVZPHLRNGTEV-DGCLKSJQSA-N 2 2 278.362 3.134 20 0 CGADLP Cc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)nc(C(C)C)[nH+]1 ZINC001163274511 806734226 /nfs/dbraw/zinc/73/42/26/806734226.db2.gz UJVVWJUJQZYLHL-INIZCTEOSA-N 2 2 296.418 3.035 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+](C)C ZINC000382276805 799395140 /nfs/dbraw/zinc/39/51/40/799395140.db2.gz NWIAPDVOJXSDEN-CKUJCDMFSA-N 2 2 252.446 3.131 20 0 CGADLP CCC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000383589907 799405697 /nfs/dbraw/zinc/40/56/97/799405697.db2.gz RAJAAORGPGWVNE-LJQANCHMSA-N 2 2 282.431 3.469 20 0 CGADLP CCC[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC000383589907 799405699 /nfs/dbraw/zinc/40/56/99/799405699.db2.gz RAJAAORGPGWVNE-LJQANCHMSA-N 2 2 282.431 3.469 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001255780268 806748429 /nfs/dbraw/zinc/74/84/29/806748429.db2.gz JMCFFUSPONYLBR-WBVHZDCISA-N 2 2 272.436 3.142 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001255780268 806748433 /nfs/dbraw/zinc/74/84/33/806748433.db2.gz JMCFFUSPONYLBR-WBVHZDCISA-N 2 2 272.436 3.142 20 0 CGADLP Cc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1Br ZINC000393850943 799491399 /nfs/dbraw/zinc/49/13/99/799491399.db2.gz RNDLWWHSYRTUTG-GFCCVEGCSA-N 2 2 299.256 3.187 20 0 CGADLP ClC1(Cl)C[C@H]1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000399209606 799536693 /nfs/dbraw/zinc/53/66/93/799536693.db2.gz QEVMHUTXVGPSQM-GFCCVEGCSA-N 2 2 291.266 3.034 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530218441 799672202 /nfs/dbraw/zinc/67/22/02/799672202.db2.gz JBDVCAVCRGUYLP-SJORKVTESA-N 2 2 286.419 3.021 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC001255942423 806791029 /nfs/dbraw/zinc/79/10/29/806791029.db2.gz GGRIJHUWNGPUKT-LLVKDONJSA-N 2 2 288.357 3.314 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716269106 800166450 /nfs/dbraw/zinc/16/64/50/800166450.db2.gz JFXOWIXVZOXENJ-YJBOKZPZSA-N 2 2 272.436 3.287 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721629442 800298447 /nfs/dbraw/zinc/29/84/47/800298447.db2.gz KEYAZHTXPBCZQD-XHSDSOJGSA-N 2 2 284.488 3.146 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722397616 800321713 /nfs/dbraw/zinc/32/17/13/800321713.db2.gz XIPZLZGTHCTICO-STQMWFEESA-N 2 2 281.469 3.121 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001256196294 806847524 /nfs/dbraw/zinc/84/75/24/806847524.db2.gz HPGPKDLRGYWKLX-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP C[NH+]1CCC([N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208662 806849892 /nfs/dbraw/zinc/84/98/92/806849892.db2.gz MAUIWZGGCURBLZ-AWEZNQCLSA-N 2 2 278.827 3.224 20 0 CGADLP C[NH+]1CCC([N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001256208662 806849901 /nfs/dbraw/zinc/84/99/01/806849901.db2.gz MAUIWZGGCURBLZ-AWEZNQCLSA-N 2 2 278.827 3.224 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561533 806916587 /nfs/dbraw/zinc/91/65/87/806916587.db2.gz JSXZFNOCLGJFCV-MRXNPFEDSA-N 3 2 295.515 3.103 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561533 806916590 /nfs/dbraw/zinc/91/65/90/806916590.db2.gz JSXZFNOCLGJFCV-MRXNPFEDSA-N 3 2 295.515 3.103 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CC[C@H]4CCC[C@H]4C3)CC2)ccn1 ZINC001256589416 806922095 /nfs/dbraw/zinc/92/20/95/806922095.db2.gz YHQGUWLASRHBGC-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CC[C@H]4CCC[C@H]4C3)CC2)ccn1 ZINC001256589416 806922097 /nfs/dbraw/zinc/92/20/97/806922097.db2.gz YHQGUWLASRHBGC-MSOLQXFVSA-N 2 2 299.462 3.168 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258084762 807297744 /nfs/dbraw/zinc/29/77/44/807297744.db2.gz AQMCHEYLRZMCCL-HOTGVXAUSA-N 2 2 252.446 3.441 20 0 CGADLP C[NH+](C)C[C@]12C[C@H]1CN(c1cc(-c3ccccc3)cc[nH+]1)C2 ZINC001165185308 806974663 /nfs/dbraw/zinc/97/46/63/806974663.db2.gz VWAFLDOOSKMRQW-HKUYNNGSSA-N 2 2 293.414 3.137 20 0 CGADLP Cc1c[nH+]c2ccccc2c1NCc1ccn2cc[nH+]c2c1 ZINC001117687500 802478247 /nfs/dbraw/zinc/47/82/47/802478247.db2.gz NEFNYWCXANMAIB-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001118495713 802576588 /nfs/dbraw/zinc/57/65/88/802576588.db2.gz AFTXVKSQAFXXOH-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001118495713 802576592 /nfs/dbraw/zinc/57/65/92/802576592.db2.gz AFTXVKSQAFXXOH-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP CC[NH+](CC)C1CCN(Cc2cc(C)cc(C)[nH+]2)CC1 ZINC001119671683 802690663 /nfs/dbraw/zinc/69/06/63/802690663.db2.gz SYUFNDLQUGVYFB-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc[nH+]c(N)c1CNc1[nH+]c2ccccc2n1C1CC1 ZINC001184462568 810200656 /nfs/dbraw/zinc/20/06/56/810200656.db2.gz LSPYUMDOCPOQKG-UHFFFAOYSA-N 2 2 293.374 3.269 20 0 CGADLP Cc1nc(N2CCCCC23CC[NH2+]CC3)cc(C(C)C)[nH+]1 ZINC001165337223 806997067 /nfs/dbraw/zinc/99/70/67/806997067.db2.gz KUXTVUNOCGHDOH-UHFFFAOYSA-N 2 2 288.439 3.021 20 0 CGADLP Nc1ccc(Nc2ccccc2C[NH+]2CCCCC2)c[nH+]1 ZINC001201287005 811809781 /nfs/dbraw/zinc/80/97/81/811809781.db2.gz NJWMYBYNPPIPGV-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(F)cc1Cl ZINC001206811964 813443541 /nfs/dbraw/zinc/44/35/41/813443541.db2.gz XIYLUTZFPDJBOA-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(F)cc1Cl ZINC001206811964 813443544 /nfs/dbraw/zinc/44/35/44/813443544.db2.gz XIYLUTZFPDJBOA-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cnccc3C3CC3)c2)C1 ZINC001244284240 803278882 /nfs/dbraw/zinc/27/88/82/803278882.db2.gz RGKCHWOYOZDFGC-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cnccc3C3CC3)c2)C1 ZINC001244284240 803278885 /nfs/dbraw/zinc/27/88/85/803278885.db2.gz RGKCHWOYOZDFGC-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP CNc1cc(-c2ccc(C)cc2C[NH+](C)C)cc[nH+]1 ZINC001244977845 803600891 /nfs/dbraw/zinc/60/08/91/803600891.db2.gz ZFAPIQHQPDLCDP-UHFFFAOYSA-N 2 2 255.365 3.160 20 0 CGADLP Cc1c(F)ccc(F)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244980566 803602757 /nfs/dbraw/zinc/60/27/57/803602757.db2.gz MMHKMARCVPHCIT-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC001138821230 804046585 /nfs/dbraw/zinc/04/65/85/804046585.db2.gz HCHUFIPFWLWUGG-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC001138821230 804046595 /nfs/dbraw/zinc/04/65/95/804046595.db2.gz HCHUFIPFWLWUGG-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CC[N@H+](Cc1ccccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001138908921 804071393 /nfs/dbraw/zinc/07/13/93/804071393.db2.gz VLGPMRZWIOGSCO-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[N@@H+](Cc1ccccc1OC(F)F)C1CC[NH+](C)CC1 ZINC001138908921 804071408 /nfs/dbraw/zinc/07/14/08/804071408.db2.gz VLGPMRZWIOGSCO-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246077123 804116327 /nfs/dbraw/zinc/11/63/27/804116327.db2.gz QUGXQWUXFQLWHI-ZWKOTPCHSA-N 2 2 268.404 3.297 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246079278 804117132 /nfs/dbraw/zinc/11/71/32/804117132.db2.gz JQHZQPSFNGVDLZ-KKUMJFAQSA-N 2 2 278.465 3.206 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088192 804120861 /nfs/dbraw/zinc/12/08/61/804120861.db2.gz SASCRHBIVFQOSG-BRWVUGGUSA-N 2 2 278.415 3.078 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246101038 804133367 /nfs/dbraw/zinc/13/33/67/804133367.db2.gz UVMXBRTZSPGASU-GJZGRUSLSA-N 2 2 268.420 3.169 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246102879 804134861 /nfs/dbraw/zinc/13/48/61/804134861.db2.gz XKYDLKUNNMQVES-SOUVJXGZSA-N 2 2 258.425 3.415 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC001246167076 804183137 /nfs/dbraw/zinc/18/31/37/804183137.db2.gz BSUZFGHCBLRHAV-KDOFPFPSSA-N 2 2 272.436 3.358 20 0 CGADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360204 804184438 /nfs/dbraw/zinc/18/44/38/804184438.db2.gz LIDPVWLRCDFZNO-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360204 804184442 /nfs/dbraw/zinc/18/44/42/804184442.db2.gz LIDPVWLRCDFZNO-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2F)CC[NH2+]1 ZINC001246189059 804198201 /nfs/dbraw/zinc/19/82/01/804198201.db2.gz ZGHQGLCFCZDQCH-RBOXIYTFSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2F)CC[NH2+]1 ZINC001246189049 804198788 /nfs/dbraw/zinc/19/87/88/804198788.db2.gz ZGHQGLCFCZDQCH-DETPVDSQSA-N 2 2 282.378 3.392 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(OC)c1 ZINC001139615288 804228619 /nfs/dbraw/zinc/22/86/19/804228619.db2.gz BPHBKWWRQLXMSW-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(OC)c1 ZINC001139615288 804228625 /nfs/dbraw/zinc/22/86/25/804228625.db2.gz BPHBKWWRQLXMSW-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC001246238731 804229938 /nfs/dbraw/zinc/22/99/38/804229938.db2.gz ZHBQTLDETZIVIQ-DOFRTFSJSA-N 2 2 288.769 3.237 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246272305 804249722 /nfs/dbraw/zinc/24/97/22/804249722.db2.gz YNAVSBZHPIFOBC-QWRGUYRKSA-N 2 2 288.769 3.238 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001246278199 804253394 /nfs/dbraw/zinc/25/33/94/804253394.db2.gz FHNBTRLXMBAALX-BDVYOWHSSA-N 2 2 260.425 3.491 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279178 804255165 /nfs/dbraw/zinc/25/51/65/804255165.db2.gz KUNGJYBZVLQSHI-YOEHRIQHSA-N 2 2 286.806 3.097 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246283458 804257945 /nfs/dbraw/zinc/25/79/45/804257945.db2.gz BCBGKDDGUCXWNA-HZPDHXFCSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)ccc1Cl ZINC001246293080 804262322 /nfs/dbraw/zinc/26/23/22/804262322.db2.gz OCVTWOPHFUDIMG-GXTWGEPZSA-N 2 2 266.816 3.441 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246334455 804289341 /nfs/dbraw/zinc/28/93/41/804289341.db2.gz ZIJICGFXPBCUCE-SQWLQELKSA-N 2 2 278.465 3.206 20 0 CGADLP Fc1ccc(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001246377675 804310818 /nfs/dbraw/zinc/31/08/18/804310818.db2.gz PTOAJZLNZVHLGA-GOSISDBHSA-N 2 2 284.378 3.334 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246468923 804348414 /nfs/dbraw/zinc/34/84/14/804348414.db2.gz MNUYYMFDKNOXHH-IAGOWNOFSA-N 2 2 260.425 3.432 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H](C)C1 ZINC001140029539 804354942 /nfs/dbraw/zinc/35/49/42/804354942.db2.gz OCSSYGRTORNMLU-RHSMWYFYSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@H](C)C1 ZINC001140029539 804354948 /nfs/dbraw/zinc/35/49/48/804354948.db2.gz OCSSYGRTORNMLU-RHSMWYFYSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140025854 804355559 /nfs/dbraw/zinc/35/55/59/804355559.db2.gz DLGUADWZKKKSPM-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140025854 804355567 /nfs/dbraw/zinc/35/55/67/804355567.db2.gz DLGUADWZKKKSPM-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(F)c1Cl ZINC001246491803 804359243 /nfs/dbraw/zinc/35/92/43/804359243.db2.gz TXIWBQVUBQWZGR-GMTAPVOTSA-N 2 2 270.779 3.270 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC(C(C)C)CC2)c1 ZINC001246510352 804367779 /nfs/dbraw/zinc/36/77/79/804367779.db2.gz LBJKIRXAOGNITQ-PVARCSIZSA-N 2 2 290.451 3.499 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2C[C@@H](C)C[C@H](C)C2)c1 ZINC001246511753 804368310 /nfs/dbraw/zinc/36/83/10/804368310.db2.gz RJWINZQENGHELN-DCGLDWPTSA-N 2 2 276.424 3.109 20 0 CGADLP Clc1ccc2c(c1)C[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246536942 804386287 /nfs/dbraw/zinc/38/62/87/804386287.db2.gz HPLKWUQKMTZRLY-MRXNPFEDSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246536942 804386296 /nfs/dbraw/zinc/38/62/96/804386296.db2.gz HPLKWUQKMTZRLY-MRXNPFEDSA-N 2 2 290.838 3.373 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537112 804386600 /nfs/dbraw/zinc/38/66/00/804386600.db2.gz BGXDENDFHVBKES-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246537112 804386608 /nfs/dbraw/zinc/38/66/08/804386608.db2.gz BGXDENDFHVBKES-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246567191 804415404 /nfs/dbraw/zinc/41/54/04/804415404.db2.gz VXYNYFGEFHOIGC-GVDBMIGSSA-N 2 2 278.415 3.015 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246567191 804415408 /nfs/dbraw/zinc/41/54/08/804415408.db2.gz VXYNYFGEFHOIGC-GVDBMIGSSA-N 2 2 278.415 3.015 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246566897 804415835 /nfs/dbraw/zinc/41/58/35/804415835.db2.gz JVHISIYETYJEFM-XJKCOSOUSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246566897 804415839 /nfs/dbraw/zinc/41/58/39/804415839.db2.gz JVHISIYETYJEFM-XJKCOSOUSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575639 804422595 /nfs/dbraw/zinc/42/25/95/804422595.db2.gz IPFNAOOZIZGXCD-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575639 804422598 /nfs/dbraw/zinc/42/25/98/804422598.db2.gz IPFNAOOZIZGXCD-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP Nc1[nH+]cccc1Nc1ccccc1C[NH+]1CCCCC1 ZINC001212399994 815018185 /nfs/dbraw/zinc/01/81/85/815018185.db2.gz PQDIKGZEAHXSAB-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP C[N@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140535447 804455351 /nfs/dbraw/zinc/45/53/51/804455351.db2.gz KOSVVIZBYLVZEK-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140535447 804455356 /nfs/dbraw/zinc/45/53/56/804455356.db2.gz KOSVVIZBYLVZEK-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631516 804462077 /nfs/dbraw/zinc/46/20/77/804462077.db2.gz QCRLUVYDUNGWFW-NSHDSACASA-N 2 2 299.245 3.220 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631516 804462080 /nfs/dbraw/zinc/46/20/80/804462080.db2.gz QCRLUVYDUNGWFW-NSHDSACASA-N 2 2 299.245 3.220 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631045 804462934 /nfs/dbraw/zinc/46/29/34/804462934.db2.gz OHAMWWDPISJEPV-ITDIGPHOSA-N 2 2 299.245 3.218 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631045 804462937 /nfs/dbraw/zinc/46/29/37/804462937.db2.gz OHAMWWDPISJEPV-ITDIGPHOSA-N 2 2 299.245 3.218 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632186 804462985 /nfs/dbraw/zinc/46/29/85/804462985.db2.gz UQXFYMYDECXNKJ-MLGOLLRUSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632186 804462989 /nfs/dbraw/zinc/46/29/89/804462989.db2.gz UQXFYMYDECXNKJ-MLGOLLRUSA-N 2 2 296.817 3.096 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648733 804475070 /nfs/dbraw/zinc/47/50/70/804475070.db2.gz MQQKNLHYTFAYIT-MGPQQGTHSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648733 804475074 /nfs/dbraw/zinc/47/50/74/804475074.db2.gz MQQKNLHYTFAYIT-MGPQQGTHSA-N 2 2 290.373 3.326 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656196 804479923 /nfs/dbraw/zinc/47/99/23/804479923.db2.gz MRZRNOMZPNWEHX-LFVTVUPYSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656196 804479928 /nfs/dbraw/zinc/47/99/28/804479928.db2.gz MRZRNOMZPNWEHX-LFVTVUPYSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771788 804503935 /nfs/dbraw/zinc/50/39/35/804503935.db2.gz ZSZOKMQNAZEWHF-KBPBESRZSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771788 804503941 /nfs/dbraw/zinc/50/39/41/804503941.db2.gz ZSZOKMQNAZEWHF-KBPBESRZSA-N 2 2 266.816 3.302 20 0 CGADLP COc1ccc(C2CC[NH+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246790363 804514199 /nfs/dbraw/zinc/51/41/99/804514199.db2.gz WEMAKRKUMJEZKQ-RHSMWYFYSA-N 2 2 288.435 3.015 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792220 804514907 /nfs/dbraw/zinc/51/49/07/804514907.db2.gz ONAHVPRCFBETRX-FFSVYQOJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792220 804514910 /nfs/dbraw/zinc/51/49/10/804514910.db2.gz ONAHVPRCFBETRX-FFSVYQOJSA-N 2 2 280.362 3.242 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001246804533 804523552 /nfs/dbraw/zinc/52/35/52/804523552.db2.gz QIZWATMMUFSZCR-GFCCVEGCSA-N 2 2 298.833 3.484 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246810199 804526749 /nfs/dbraw/zinc/52/67/49/804526749.db2.gz ZORAFZDOBYLVFT-ZVZYQTTQSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246810199 804526753 /nfs/dbraw/zinc/52/67/53/804526753.db2.gz ZORAFZDOBYLVFT-ZVZYQTTQSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824878 804536995 /nfs/dbraw/zinc/53/69/95/804536995.db2.gz QVFMNJGFWPRVMM-UHOFOFEASA-N 2 2 294.439 3.056 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824878 804537003 /nfs/dbraw/zinc/53/70/03/804537003.db2.gz QVFMNJGFWPRVMM-UHOFOFEASA-N 2 2 294.439 3.056 20 0 CGADLP CCCC[C@@H](CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827030 804538722 /nfs/dbraw/zinc/53/87/22/804538722.db2.gz GOFABYFWQIRIAH-GRYCIOLGSA-N 2 2 266.351 3.167 20 0 CGADLP CCCC[C@@H](CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827030 804538726 /nfs/dbraw/zinc/53/87/26/804538726.db2.gz GOFABYFWQIRIAH-GRYCIOLGSA-N 2 2 266.351 3.167 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@@H](C)CC[NH2+]C ZINC001246846731 804555592 /nfs/dbraw/zinc/55/55/92/804555592.db2.gz QNCIYJMUGTVXOP-XHSDSOJGSA-N 2 2 270.461 3.248 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H](C)CC[NH2+]C ZINC001246846731 804555599 /nfs/dbraw/zinc/55/55/99/804555599.db2.gz QNCIYJMUGTVXOP-XHSDSOJGSA-N 2 2 270.461 3.248 20 0 CGADLP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848560 804558876 /nfs/dbraw/zinc/55/88/76/804558876.db2.gz WLKYPJKDTJVIMR-ROUUACIJSA-N 2 2 284.447 3.368 20 0 CGADLP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848560 804558879 /nfs/dbraw/zinc/55/88/79/804558879.db2.gz WLKYPJKDTJVIMR-ROUUACIJSA-N 2 2 284.447 3.368 20 0 CGADLP CC[N@H+]([C@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246852331 804562164 /nfs/dbraw/zinc/56/21/64/804562164.db2.gz CSNMWVTXURBKTE-UKRRQHHQSA-N 2 2 296.455 3.380 20 0 CGADLP CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246852331 804562167 /nfs/dbraw/zinc/56/21/67/804562167.db2.gz CSNMWVTXURBKTE-UKRRQHHQSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001246864667 804568258 /nfs/dbraw/zinc/56/82/58/804568258.db2.gz VQIPXNORMUSAOI-MBNYWOFBSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001246864667 804568268 /nfs/dbraw/zinc/56/82/68/804568268.db2.gz VQIPXNORMUSAOI-MBNYWOFBSA-N 2 2 298.883 3.490 20 0 CGADLP Clc1cccc2c1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246875409 804575048 /nfs/dbraw/zinc/57/50/48/804575048.db2.gz VHXYDTRLDJECTQ-QDMKHBRRSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1cccc2c1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246875409 804575053 /nfs/dbraw/zinc/57/50/53/804575053.db2.gz VHXYDTRLDJECTQ-QDMKHBRRSA-N 2 2 290.838 3.371 20 0 CGADLP c1cn2ccc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2[nH+]1 ZINC001141049370 804578404 /nfs/dbraw/zinc/57/84/04/804578404.db2.gz FGMBJNSSYJSMDN-HZPDHXFCSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2ccc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2[nH+]1 ZINC001141049370 804578411 /nfs/dbraw/zinc/57/84/11/804578411.db2.gz FGMBJNSSYJSMDN-HZPDHXFCSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246939832 804610286 /nfs/dbraw/zinc/61/02/86/804610286.db2.gz SKYXLEDKAASGIO-KFNAQCHYSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246939832 804610291 /nfs/dbraw/zinc/61/02/91/804610291.db2.gz SKYXLEDKAASGIO-KFNAQCHYSA-N 2 2 278.827 3.009 20 0 CGADLP CC[C@H](CC(C)C)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246968794 804621333 /nfs/dbraw/zinc/62/13/33/804621333.db2.gz XUFKRRUBZFXMHF-QZTJIDSGSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246968794 804621335 /nfs/dbraw/zinc/62/13/35/804621335.db2.gz XUFKRRUBZFXMHF-QZTJIDSGSA-N 2 2 289.467 3.460 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246988326 804630109 /nfs/dbraw/zinc/63/01/09/804630109.db2.gz PAXGVWRCZDSHFE-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246988326 804630115 /nfs/dbraw/zinc/63/01/15/804630115.db2.gz PAXGVWRCZDSHFE-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP Cc1cccc2[nH+]c(CC3CC[NH2+]CC3)n(C3CC3)c21 ZINC001247044670 804652025 /nfs/dbraw/zinc/65/20/25/804652025.db2.gz LMYMEIRICJMVEV-UHFFFAOYSA-N 2 2 269.392 3.222 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001143242719 804826061 /nfs/dbraw/zinc/82/60/61/804826061.db2.gz LJVCYAJJIHOFFM-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001143242719 804826067 /nfs/dbraw/zinc/82/60/67/804826067.db2.gz LJVCYAJJIHOFFM-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001143671044 804882740 /nfs/dbraw/zinc/88/27/40/804882740.db2.gz VXMSMLDZSBKZLQ-UHFFFAOYSA-N 2 2 288.357 3.397 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001143671044 804882748 /nfs/dbraw/zinc/88/27/48/804882748.db2.gz VXMSMLDZSBKZLQ-UHFFFAOYSA-N 2 2 288.357 3.397 20 0 CGADLP CCSc1cc[nH+]c(NC[C@H]2CCC[NH2+]C[C@H]2C)c1 ZINC001155029374 805526202 /nfs/dbraw/zinc/52/62/02/805526202.db2.gz KXRVBIHLOZZWDN-CHWSQXEVSA-N 2 2 279.453 3.241 20 0 CGADLP Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)cc(C2CCCCC2)[nH+]1 ZINC001155102263 805539283 /nfs/dbraw/zinc/53/92/83/805539283.db2.gz WWIGFHDQNGDGJR-TZMCWYRMSA-N 2 2 288.439 3.243 20 0 CGADLP CCC[C@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257251883 807071146 /nfs/dbraw/zinc/07/11/46/807071146.db2.gz WENMRGTYKFBCTL-INIZCTEOSA-N 2 2 275.440 3.466 20 0 CGADLP CCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257319239 807104661 /nfs/dbraw/zinc/10/46/61/807104661.db2.gz LTNKVWSLXMBOHW-JQHSSLGASA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257319239 807104662 /nfs/dbraw/zinc/10/46/62/807104662.db2.gz LTNKVWSLXMBOHW-JQHSSLGASA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257319239 807104665 /nfs/dbraw/zinc/10/46/65/807104665.db2.gz LTNKVWSLXMBOHW-JQHSSLGASA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257319239 807104667 /nfs/dbraw/zinc/10/46/67/807104667.db2.gz LTNKVWSLXMBOHW-JQHSSLGASA-N 2 2 287.451 3.024 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257429567 807152690 /nfs/dbraw/zinc/15/26/90/807152690.db2.gz SERHIFXCRVRLDZ-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCCSC2)c1 ZINC001257667823 807209471 /nfs/dbraw/zinc/20/94/71/807209471.db2.gz LDBQZTSUDCTGRL-AWEZNQCLSA-N 2 2 273.405 3.077 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc2cc[nH]c2c[nH+]1 ZINC001167749112 807239804 /nfs/dbraw/zinc/23/98/04/807239804.db2.gz YAYYGFOXGSPIFL-ZDUSSCGKSA-N 2 2 272.396 3.239 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc2cc[nH]c2c[nH+]1 ZINC001167749112 807239807 /nfs/dbraw/zinc/23/98/07/807239807.db2.gz YAYYGFOXGSPIFL-ZDUSSCGKSA-N 2 2 272.396 3.239 20 0 CGADLP COc1c[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC001167752177 807242548 /nfs/dbraw/zinc/24/25/48/807242548.db2.gz QVGXPKQAUNVSLO-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP COc1c[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001167752177 807242553 /nfs/dbraw/zinc/24/25/53/807242553.db2.gz QVGXPKQAUNVSLO-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP Cc1[nH+]cn([C@@H](C)C[C@@H](C)CC(C)C)c1CC[NH3+] ZINC001258050129 807275389 /nfs/dbraw/zinc/27/53/89/807275389.db2.gz BHSQXPGBHMDNEC-STQMWFEESA-N 2 2 251.418 3.326 20 0 CGADLP C[N@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001167931857 807276280 /nfs/dbraw/zinc/27/62/80/807276280.db2.gz QBSHWPAZRDZGNA-DZFIZOCASA-N 2 2 284.447 3.381 20 0 CGADLP C[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001167931857 807276283 /nfs/dbraw/zinc/27/62/83/807276283.db2.gz QBSHWPAZRDZGNA-DZFIZOCASA-N 2 2 284.447 3.381 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167961903 807287522 /nfs/dbraw/zinc/28/75/22/807287522.db2.gz QGRLKAVDSLTTBJ-HZTRTUMWSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167961903 807287530 /nfs/dbraw/zinc/28/75/30/807287530.db2.gz QGRLKAVDSLTTBJ-HZTRTUMWSA-N 2 2 285.435 3.138 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258084762 807297738 /nfs/dbraw/zinc/29/77/38/807297738.db2.gz AQMCHEYLRZMCCL-HOTGVXAUSA-N 2 2 252.446 3.441 20 0 CGADLP C[C@H]1CC([N@H+](C)CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067193 807303730 /nfs/dbraw/zinc/30/37/30/807303730.db2.gz RRSWXTVVKBERCV-GJZGRUSLSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@H]1CC([N@@H+](C)CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067193 807303737 /nfs/dbraw/zinc/30/37/37/807303737.db2.gz RRSWXTVVKBERCV-GJZGRUSLSA-N 2 2 278.415 3.329 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccco2)C1 ZINC001258197705 807357864 /nfs/dbraw/zinc/35/78/64/807357864.db2.gz PNNBPGHAFZEOKR-ZBFHGGJFSA-N 2 2 286.375 3.067 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccco2)C1 ZINC001258197705 807357873 /nfs/dbraw/zinc/35/78/73/807357873.db2.gz PNNBPGHAFZEOKR-ZBFHGGJFSA-N 2 2 286.375 3.067 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001258530129 807486085 /nfs/dbraw/zinc/48/60/85/807486085.db2.gz IQVJMGFQFFPOAM-PREGVCBESA-N 2 2 264.457 3.419 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001258530129 807486093 /nfs/dbraw/zinc/48/60/93/807486093.db2.gz IQVJMGFQFFPOAM-PREGVCBESA-N 2 2 264.457 3.419 20 0 CGADLP CCCC1CCC(n2c(C)[nH+]c3c2CC[NH2+]CC3)CC1 ZINC001258530699 807487196 /nfs/dbraw/zinc/48/71/96/807487196.db2.gz KZGXBKSWFVAUFB-UHFFFAOYSA-N 2 2 275.440 3.411 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258595614 807495595 /nfs/dbraw/zinc/49/55/95/807495595.db2.gz FCJGURDLIKULKU-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258598148 807497233 /nfs/dbraw/zinc/49/72/33/807497233.db2.gz GGLCMVKFSMGNDJ-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258598148 807497237 /nfs/dbraw/zinc/49/72/37/807497237.db2.gz GGLCMVKFSMGNDJ-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698083 807551667 /nfs/dbraw/zinc/55/16/67/807551667.db2.gz VBRPWLRISIBRIN-GXTWGEPZSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698083 807551670 /nfs/dbraw/zinc/55/16/70/807551670.db2.gz VBRPWLRISIBRIN-GXTWGEPZSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]c2c(n1[C@H]1C[C@H](C)CC(C)(C)C1)CC[NH2+]CC2 ZINC001258697912 807551936 /nfs/dbraw/zinc/55/19/36/807551936.db2.gz UGUKWUKCYHSBGT-JSGCOSHPSA-N 2 2 275.440 3.267 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001258701360 807555208 /nfs/dbraw/zinc/55/52/08/807555208.db2.gz HOLYYRFKXAMSCJ-INIZCTEOSA-N 2 2 271.408 3.358 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001258702058 807555942 /nfs/dbraw/zinc/55/59/42/807555942.db2.gz PYLBOKQRWJWBAA-KRWDZBQOSA-N 2 2 271.408 3.274 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001169233529 807611153 /nfs/dbraw/zinc/61/11/53/807611153.db2.gz SFUNFUBUYIYWOJ-QGZVFWFLSA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258785821 807611747 /nfs/dbraw/zinc/61/17/47/807611747.db2.gz XLDFMGUMSHCCKG-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258785821 807611754 /nfs/dbraw/zinc/61/17/54/807611754.db2.gz XLDFMGUMSHCCKG-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001169241070 807612368 /nfs/dbraw/zinc/61/23/68/807612368.db2.gz GCUNPTSLQGGIIM-MRXNPFEDSA-N 2 2 293.842 3.260 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258797195 807618698 /nfs/dbraw/zinc/61/86/98/807618698.db2.gz KUUORUQSVQWARL-VGWMRTNUSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258797195 807618699 /nfs/dbraw/zinc/61/86/99/807618699.db2.gz KUUORUQSVQWARL-VGWMRTNUSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258797195 807618702 /nfs/dbraw/zinc/61/87/02/807618702.db2.gz KUUORUQSVQWARL-VGWMRTNUSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258797195 807618704 /nfs/dbraw/zinc/61/87/04/807618704.db2.gz KUUORUQSVQWARL-VGWMRTNUSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820844 807637630 /nfs/dbraw/zinc/63/76/30/807637630.db2.gz PFAUCXGLHBDLHL-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820844 807637634 /nfs/dbraw/zinc/63/76/34/807637634.db2.gz PFAUCXGLHBDLHL-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820844 807637636 /nfs/dbraw/zinc/63/76/36/807637636.db2.gz PFAUCXGLHBDLHL-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820844 807637639 /nfs/dbraw/zinc/63/76/39/807637639.db2.gz PFAUCXGLHBDLHL-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258843361 807653556 /nfs/dbraw/zinc/65/35/56/807653556.db2.gz BGRBLDKSHSSZAM-MRXNPFEDSA-N 2 2 270.376 3.071 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)C2)C1 ZINC001170160290 807781407 /nfs/dbraw/zinc/78/14/07/807781407.db2.gz HVCYCDJHIUEQRW-NWANDNLSSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)C2)C1 ZINC001170160290 807781411 /nfs/dbraw/zinc/78/14/11/807781411.db2.gz HVCYCDJHIUEQRW-NWANDNLSSA-N 2 2 260.381 3.032 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170248471 807802466 /nfs/dbraw/zinc/80/24/66/807802466.db2.gz RUONNZCIKFLFDM-HIFRSBDPSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1Cl ZINC001170248471 807802474 /nfs/dbraw/zinc/80/24/74/807802474.db2.gz RUONNZCIKFLFDM-HIFRSBDPSA-N 2 2 280.843 3.345 20 0 CGADLP Fc1cccc2c1C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171004361 807957188 /nfs/dbraw/zinc/95/71/88/807957188.db2.gz CMNIQPHVSIOIFQ-INIZCTEOSA-N 2 2 299.393 3.217 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171091626 807981477 /nfs/dbraw/zinc/98/14/77/807981477.db2.gz RESIRWSYJZPRJF-INIZCTEOSA-N 2 2 280.843 3.129 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171563860 808096391 /nfs/dbraw/zinc/09/63/91/808096391.db2.gz OANKJCSJNCNMPR-QGZVFWFLSA-N 2 2 291.398 3.290 20 0 CGADLP C[N@H+](Cc1cnc(Cl)s1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116630 808180841 /nfs/dbraw/zinc/18/08/41/808180841.db2.gz BNEJZVDPBNPLQY-GDNZZTSVSA-N 2 2 299.871 3.244 20 0 CGADLP C[N@@H+](Cc1cnc(Cl)s1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116630 808180845 /nfs/dbraw/zinc/18/08/45/808180845.db2.gz BNEJZVDPBNPLQY-GDNZZTSVSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116630 808180849 /nfs/dbraw/zinc/18/08/49/808180849.db2.gz BNEJZVDPBNPLQY-GDNZZTSVSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116630 808180854 /nfs/dbraw/zinc/18/08/54/808180854.db2.gz BNEJZVDPBNPLQY-GDNZZTSVSA-N 2 2 299.871 3.244 20 0 CGADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@H]1C ZINC001172384778 808277201 /nfs/dbraw/zinc/27/72/01/808277201.db2.gz WRBJQWMISBHDHA-BFYDXBDKSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H]1CC[C@@H](c3ccccc3)C1)CC[NH2+]CC2 ZINC001172564366 808391117 /nfs/dbraw/zinc/39/11/17/808391117.db2.gz VIEZXLNIOUQAME-IAGOWNOFSA-N 2 2 295.430 3.389 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570319 808394267 /nfs/dbraw/zinc/39/42/67/808394267.db2.gz VVYMNCCSHILJCW-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570319 808394272 /nfs/dbraw/zinc/39/42/72/808394272.db2.gz VVYMNCCSHILJCW-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570319 808394279 /nfs/dbraw/zinc/39/42/79/808394279.db2.gz VVYMNCCSHILJCW-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570319 808394285 /nfs/dbraw/zinc/39/42/85/808394285.db2.gz VVYMNCCSHILJCW-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172658131 808411061 /nfs/dbraw/zinc/41/10/61/808411061.db2.gz KUQGQQKTXRGYSW-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CC(C)(C)OC(C)(C)C1 ZINC001172658131 808411065 /nfs/dbraw/zinc/41/10/65/808411065.db2.gz KUQGQQKTXRGYSW-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP Cc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001172840947 808456863 /nfs/dbraw/zinc/45/68/63/808456863.db2.gz DFYYNYCYSYLEHO-FUHWJXTLSA-N 2 2 295.430 3.389 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844461 808457971 /nfs/dbraw/zinc/45/79/71/808457971.db2.gz INEDREDADPKDNG-OLZOCXBDSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844461 808457975 /nfs/dbraw/zinc/45/79/75/808457975.db2.gz INEDREDADPKDNG-OLZOCXBDSA-N 2 2 298.833 3.482 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001173235989 808545003 /nfs/dbraw/zinc/54/50/03/808545003.db2.gz DGXIOGUSFDONGW-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001173235989 808545009 /nfs/dbraw/zinc/54/50/09/808545009.db2.gz DGXIOGUSFDONGW-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001173237292 808546478 /nfs/dbraw/zinc/54/64/78/808546478.db2.gz ARIDVNQRQQLVCN-YJBOKZPZSA-N 2 2 286.463 3.396 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001173237292 808546483 /nfs/dbraw/zinc/54/64/83/808546483.db2.gz ARIDVNQRQQLVCN-YJBOKZPZSA-N 2 2 286.463 3.396 20 0 CGADLP CCc1ccc(C[C@@H](C)n2c(C)[nH+]c3c2CC[NH2+]CC3)cc1 ZINC001173240840 808548775 /nfs/dbraw/zinc/54/87/75/808548775.db2.gz RHKLFPZPYSOVBE-CQSZACIVSA-N 2 2 297.446 3.246 20 0 CGADLP c1ccc(CC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC001275090622 808906547 /nfs/dbraw/zinc/90/65/47/808906547.db2.gz LWAUVHMRQCFMEF-UHFFFAOYSA-N 2 2 284.447 3.179 20 0 CGADLP c1ccc(CC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001275090622 808906551 /nfs/dbraw/zinc/90/65/51/808906551.db2.gz LWAUVHMRQCFMEF-UHFFFAOYSA-N 2 2 284.447 3.179 20 0 CGADLP CCc1ccc(C)[nH+]c1Nc1ccc2[nH+]ccn2c1 ZINC001174275790 808922117 /nfs/dbraw/zinc/92/21/17/808922117.db2.gz ITNWPWKHRXILGG-UHFFFAOYSA-N 2 2 252.321 3.344 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccco2)C3)c1 ZINC001275236508 808922595 /nfs/dbraw/zinc/92/25/95/808922595.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccco2)C3)c1 ZINC001275236508 808922600 /nfs/dbraw/zinc/92/26/00/808922600.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC001275236508 808922606 /nfs/dbraw/zinc/92/26/06/808922606.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccco2)C3)c1 ZINC001275236508 808922609 /nfs/dbraw/zinc/92/26/09/808922609.db2.gz VDIZWWRUTFECII-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1F ZINC001276232995 808994396 /nfs/dbraw/zinc/99/43/96/808994396.db2.gz PMLMAQAYESJUCD-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1F ZINC001276232995 808994401 /nfs/dbraw/zinc/99/44/01/808994401.db2.gz PMLMAQAYESJUCD-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1F ZINC001276232995 808994402 /nfs/dbraw/zinc/99/44/02/808994402.db2.gz PMLMAQAYESJUCD-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1F ZINC001276232995 808994406 /nfs/dbraw/zinc/99/44/06/808994406.db2.gz PMLMAQAYESJUCD-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C2CCCC2)C3)c1 ZINC001277930744 809106682 /nfs/dbraw/zinc/10/66/82/809106682.db2.gz SSASOMDYLGLRHQ-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C2CCCC2)C3)c1 ZINC001277930744 809106686 /nfs/dbraw/zinc/10/66/86/809106686.db2.gz SSASOMDYLGLRHQ-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C2CCCC2)C3)c1 ZINC001277930744 809106689 /nfs/dbraw/zinc/10/66/89/809106689.db2.gz SSASOMDYLGLRHQ-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C2CCCC2)C3)c1 ZINC001277930744 809106692 /nfs/dbraw/zinc/10/66/92/809106692.db2.gz SSASOMDYLGLRHQ-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175350304 809372514 /nfs/dbraw/zinc/37/25/14/809372514.db2.gz GBETVUFPGXIKTK-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+]CC2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC001177166402 809784553 /nfs/dbraw/zinc/78/45/53/809784553.db2.gz PDFCNGYMDYBKOW-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+]1CCCCC1 ZINC001177429129 809797971 /nfs/dbraw/zinc/79/79/71/809797971.db2.gz PCZMDWUVMOVXPU-QFBILLFUSA-N 2 2 286.463 3.398 20 0 CGADLP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)[NH+]1CCCCC1 ZINC001178463997 809868430 /nfs/dbraw/zinc/86/84/30/809868430.db2.gz UNZCSDWDGIKMIC-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001179139513 809906577 /nfs/dbraw/zinc/90/65/77/809906577.db2.gz JLKUIKVRALTYMT-JYJNAYRXSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001179139513 809906579 /nfs/dbraw/zinc/90/65/79/809906579.db2.gz JLKUIKVRALTYMT-JYJNAYRXSA-N 2 2 264.457 3.441 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001182844173 810126494 /nfs/dbraw/zinc/12/64/94/810126494.db2.gz KUOAJNKPBYRUPH-HZPDHXFCSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001182844173 810126497 /nfs/dbraw/zinc/12/64/97/810126497.db2.gz KUOAJNKPBYRUPH-HZPDHXFCSA-N 2 2 272.436 3.179 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001183146447 810137979 /nfs/dbraw/zinc/13/79/79/810137979.db2.gz WGSPTJLBVSBIFR-HOTGVXAUSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001183146447 810137980 /nfs/dbraw/zinc/13/79/80/810137980.db2.gz WGSPTJLBVSBIFR-HOTGVXAUSA-N 2 2 280.843 3.345 20 0 CGADLP Fc1ccc2oc(C[NH2+]CCCCn3cc[nH+]c3)cc2c1 ZINC001199648236 811583037 /nfs/dbraw/zinc/58/30/37/811583037.db2.gz ILJCVOFLWKKWTK-UHFFFAOYSA-N 2 2 287.338 3.338 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC001200345216 811680975 /nfs/dbraw/zinc/68/09/75/811680975.db2.gz CHULKEUTBSITRB-UHFFFAOYSA-N 2 2 278.484 3.380 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC001200345216 811680979 /nfs/dbraw/zinc/68/09/79/811680979.db2.gz CHULKEUTBSITRB-UHFFFAOYSA-N 2 2 278.484 3.380 20 0 CGADLP CC[N@H+](Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC001203030159 812219354 /nfs/dbraw/zinc/21/93/54/812219354.db2.gz GNOIHIBHGRMNPS-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP CC[N@@H+](Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC001203030159 812219360 /nfs/dbraw/zinc/21/93/60/812219360.db2.gz GNOIHIBHGRMNPS-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP CCc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)on1 ZINC001203226087 812271760 /nfs/dbraw/zinc/27/17/60/812271760.db2.gz DKLFTDHFUYVJRM-JKSUJKDBSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)on1 ZINC001203226087 812271765 /nfs/dbraw/zinc/27/17/65/812271765.db2.gz DKLFTDHFUYVJRM-JKSUJKDBSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)on1 ZINC001203226087 812271769 /nfs/dbraw/zinc/27/17/69/812271769.db2.gz DKLFTDHFUYVJRM-JKSUJKDBSA-N 2 2 291.439 3.076 20 0 CGADLP CCc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)on1 ZINC001203226087 812271773 /nfs/dbraw/zinc/27/17/73/812271773.db2.gz DKLFTDHFUYVJRM-JKSUJKDBSA-N 2 2 291.439 3.076 20 0 CGADLP c1coc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001203248433 812281187 /nfs/dbraw/zinc/28/11/87/812281187.db2.gz HFJVLHCKBUKXSL-UHFFFAOYSA-N 2 2 281.359 3.188 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)o1 ZINC001203291018 812294584 /nfs/dbraw/zinc/29/45/84/812294584.db2.gz XTXPHICKBDGWHR-UHFFFAOYSA-N 2 2 272.348 3.026 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001203327106 812311965 /nfs/dbraw/zinc/31/19/65/812311965.db2.gz JNYXENHGCJDEHU-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001203327106 812311976 /nfs/dbraw/zinc/31/19/76/812311976.db2.gz JNYXENHGCJDEHU-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP Cc1scc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001203328954 812313774 /nfs/dbraw/zinc/31/37/74/812313774.db2.gz YRCVTECWZBLFNP-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1scc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1C ZINC001203328954 812313781 /nfs/dbraw/zinc/31/37/81/812313781.db2.gz YRCVTECWZBLFNP-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(C)c1 ZINC001203744400 812449328 /nfs/dbraw/zinc/44/93/28/812449328.db2.gz CKEWMICUNKVZNQ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(C)c1 ZINC001203744400 812449330 /nfs/dbraw/zinc/44/93/30/812449330.db2.gz CKEWMICUNKVZNQ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(C)c1 ZINC001203744400 812449333 /nfs/dbraw/zinc/44/93/33/812449333.db2.gz CKEWMICUNKVZNQ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(C)c1 ZINC001203744400 812449338 /nfs/dbraw/zinc/44/93/38/812449338.db2.gz CKEWMICUNKVZNQ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001203887842 812481516 /nfs/dbraw/zinc/48/15/16/812481516.db2.gz LJRUHYRUDWADIH-UHFFFAOYSA-N 2 2 282.387 3.433 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001203921242 812493313 /nfs/dbraw/zinc/49/33/13/812493313.db2.gz HTWQJFLQAPZKOW-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001203921242 812493317 /nfs/dbraw/zinc/49/33/17/812493317.db2.gz HTWQJFLQAPZKOW-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CCc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204176270 812566288 /nfs/dbraw/zinc/56/62/88/812566288.db2.gz LQEXWXBKTCDHQL-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CCc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204176270 812566293 /nfs/dbraw/zinc/56/62/93/812566293.db2.gz LQEXWXBKTCDHQL-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CC[N@H+](Cc1cn(C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204320500 812611027 /nfs/dbraw/zinc/61/10/27/812611027.db2.gz KEWIIFLPMKAUDA-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](Cc1cn(C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204320500 812611031 /nfs/dbraw/zinc/61/10/31/812611031.db2.gz KEWIIFLPMKAUDA-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP c1cc(-c2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cs1 ZINC001204667480 812704163 /nfs/dbraw/zinc/70/41/63/812704163.db2.gz LPIMXVXHGOZSCL-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP c1cc(-c2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cs1 ZINC001204667480 812704168 /nfs/dbraw/zinc/70/41/68/812704168.db2.gz LPIMXVXHGOZSCL-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204792638 812737716 /nfs/dbraw/zinc/73/77/16/812737716.db2.gz XODBYYTVGXIBQG-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001204792638 812737719 /nfs/dbraw/zinc/73/77/19/812737719.db2.gz XODBYYTVGXIBQG-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204792162 812738214 /nfs/dbraw/zinc/73/82/14/812738214.db2.gz UMQJTSGYJKGCKX-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204792162 812738220 /nfs/dbraw/zinc/73/82/20/812738220.db2.gz UMQJTSGYJKGCKX-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204877296 812761098 /nfs/dbraw/zinc/76/10/98/812761098.db2.gz HAHOBRSDMOAIOL-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001204877296 812761103 /nfs/dbraw/zinc/76/11/03/812761103.db2.gz HAHOBRSDMOAIOL-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904622 812770391 /nfs/dbraw/zinc/77/03/91/812770391.db2.gz UEYVFDUYZSWQLX-ABCZVMIZSA-N 2 2 250.430 3.326 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904622 812770398 /nfs/dbraw/zinc/77/03/98/812770398.db2.gz UEYVFDUYZSWQLX-ABCZVMIZSA-N 2 2 250.430 3.326 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC001204924818 812778504 /nfs/dbraw/zinc/77/85/04/812778504.db2.gz ALEZRXKOLXPGQE-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC001204924818 812778510 /nfs/dbraw/zinc/77/85/10/812778510.db2.gz ALEZRXKOLXPGQE-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001204932751 812782532 /nfs/dbraw/zinc/78/25/32/812782532.db2.gz MDNVJFCLCWOCPY-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001204932751 812782535 /nfs/dbraw/zinc/78/25/35/812782535.db2.gz MDNVJFCLCWOCPY-KRWDZBQOSA-N 2 2 258.409 3.267 20 0 CGADLP C[N@@H+]1CCc2ccc(Nc3ccn4cc[nH+]c4c3)cc2C1 ZINC001205006162 812820391 /nfs/dbraw/zinc/82/03/91/812820391.db2.gz ULNBALXWCXKFJT-UHFFFAOYSA-N 2 2 278.359 3.066 20 0 CGADLP C[N@H+]1CCc2ccc(Nc3ccn4cc[nH+]c4c3)cc2C1 ZINC001205006162 812820401 /nfs/dbraw/zinc/82/04/01/812820401.db2.gz ULNBALXWCXKFJT-UHFFFAOYSA-N 2 2 278.359 3.066 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001205068139 812845885 /nfs/dbraw/zinc/84/58/85/812845885.db2.gz CQHKEILQRLVTJM-WFASDCNBSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001205068139 812845891 /nfs/dbraw/zinc/84/58/91/812845891.db2.gz CQHKEILQRLVTJM-WFASDCNBSA-N 2 2 287.432 3.122 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205102629 812866486 /nfs/dbraw/zinc/86/64/86/812866486.db2.gz UWNSLPSLMBFJCO-GFCCVEGCSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205102629 812866497 /nfs/dbraw/zinc/86/64/97/812866497.db2.gz UWNSLPSLMBFJCO-GFCCVEGCSA-N 2 2 290.304 3.158 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189510 812902624 /nfs/dbraw/zinc/90/26/24/812902624.db2.gz AASVGZBNZKWXKV-QMTHXVAHSA-N 2 2 260.406 3.131 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205189510 812902629 /nfs/dbraw/zinc/90/26/29/812902629.db2.gz AASVGZBNZKWXKV-QMTHXVAHSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205324434 812954772 /nfs/dbraw/zinc/95/47/72/812954772.db2.gz BIEZWCGAROLMDC-CQSZACIVSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205324434 812954776 /nfs/dbraw/zinc/95/47/76/812954776.db2.gz BIEZWCGAROLMDC-CQSZACIVSA-N 2 2 260.425 3.168 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC3(CSC3)CC2)C1 ZINC001205539941 812996557 /nfs/dbraw/zinc/99/65/57/812996557.db2.gz ACXVXKSLPZIZPA-UHFFFAOYSA-N 2 2 296.524 3.374 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC3(CSC3)CC2)C1 ZINC001205539941 812996565 /nfs/dbraw/zinc/99/65/65/812996565.db2.gz ACXVXKSLPZIZPA-UHFFFAOYSA-N 2 2 296.524 3.374 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205814954 813090965 /nfs/dbraw/zinc/09/09/65/813090965.db2.gz DZEYVGXDLUNGFP-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205814954 813090972 /nfs/dbraw/zinc/09/09/72/813090972.db2.gz DZEYVGXDLUNGFP-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815552 813091761 /nfs/dbraw/zinc/09/17/61/813091761.db2.gz HGVIHKZGCTYBFU-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815552 813091770 /nfs/dbraw/zinc/09/17/70/813091770.db2.gz HGVIHKZGCTYBFU-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205817735 813094911 /nfs/dbraw/zinc/09/49/11/813094911.db2.gz QQFCYCCNPFQRFD-WMLDXEAASA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2nc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205817735 813094915 /nfs/dbraw/zinc/09/49/15/813094915.db2.gz QQFCYCCNPFQRFD-WMLDXEAASA-N 2 2 283.419 3.102 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843634 813106118 /nfs/dbraw/zinc/10/61/18/813106118.db2.gz TVXXSJVSJMNKNP-WCQYABFASA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843634 813106120 /nfs/dbraw/zinc/10/61/20/813106120.db2.gz TVXXSJVSJMNKNP-WCQYABFASA-N 2 2 276.355 3.131 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205939312 813142077 /nfs/dbraw/zinc/14/20/77/813142077.db2.gz POAJLSYXPQGITC-CQSZACIVSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205939312 813142078 /nfs/dbraw/zinc/14/20/78/813142078.db2.gz POAJLSYXPQGITC-CQSZACIVSA-N 2 2 260.406 3.215 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206277967 813268728 /nfs/dbraw/zinc/26/87/28/813268728.db2.gz WWOXDGZZAFJYRP-MRXNPFEDSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)c2)cc1 ZINC001206277967 813268735 /nfs/dbraw/zinc/26/87/35/813268735.db2.gz WWOXDGZZAFJYRP-MRXNPFEDSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC001206475560 813330063 /nfs/dbraw/zinc/33/00/63/813330063.db2.gz CXVOORDOLVJKLV-RTBURBONSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C ZINC001206475560 813330069 /nfs/dbraw/zinc/33/00/69/813330069.db2.gz CXVOORDOLVJKLV-RTBURBONSA-N 2 2 286.463 3.452 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001206564530 813354634 /nfs/dbraw/zinc/35/46/34/813354634.db2.gz QHVZDOFTJKISRR-GOSISDBHSA-N 2 2 299.418 3.293 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001206564530 813354639 /nfs/dbraw/zinc/35/46/39/813354639.db2.gz QHVZDOFTJKISRR-GOSISDBHSA-N 2 2 299.418 3.293 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001206660360 813391131 /nfs/dbraw/zinc/39/11/31/813391131.db2.gz BHOZJBDXDALCFW-HUUCEWRRSA-N 2 2 272.502 3.228 20 0 CGADLP Cc1cc(C)c(Nc2c[nH+]c(N(C)C)cc2C)c[nH+]1 ZINC001206722811 813408745 /nfs/dbraw/zinc/40/87/45/813408745.db2.gz KKHSGYQCZWMYMB-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccncc1F ZINC001206789818 813438502 /nfs/dbraw/zinc/43/85/02/813438502.db2.gz VSRNLPFJVAYZHR-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccncc1F ZINC001206789818 813438504 /nfs/dbraw/zinc/43/85/04/813438504.db2.gz VSRNLPFJVAYZHR-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC001206789818 813438507 /nfs/dbraw/zinc/43/85/07/813438507.db2.gz VSRNLPFJVAYZHR-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccncc1F ZINC001206789818 813438512 /nfs/dbraw/zinc/43/85/12/813438512.db2.gz VSRNLPFJVAYZHR-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C)C2)n1C ZINC001206793994 813438888 /nfs/dbraw/zinc/43/88/88/813438888.db2.gz SWEJXGBJWRMVLC-KRWDZBQOSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](Oc3ccccc3C)C2)n1C ZINC001206793994 813438892 /nfs/dbraw/zinc/43/88/92/813438892.db2.gz SWEJXGBJWRMVLC-KRWDZBQOSA-N 2 2 299.418 3.080 20 0 CGADLP COc1cccc(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207434920 813566214 /nfs/dbraw/zinc/56/62/14/813566214.db2.gz ZYRMRVWQJACDBZ-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP COc1cccc(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001207434920 813566221 /nfs/dbraw/zinc/56/62/21/813566221.db2.gz ZYRMRVWQJACDBZ-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670267 813791924 /nfs/dbraw/zinc/79/19/24/813791924.db2.gz WAEVPBVXGJVAJO-SJLPKXTDSA-N 2 2 286.463 3.380 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670267 813791929 /nfs/dbraw/zinc/79/19/29/813791929.db2.gz WAEVPBVXGJVAJO-SJLPKXTDSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670267 813791935 /nfs/dbraw/zinc/79/19/35/813791935.db2.gz WAEVPBVXGJVAJO-SJLPKXTDSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670267 813791940 /nfs/dbraw/zinc/79/19/40/813791940.db2.gz WAEVPBVXGJVAJO-SJLPKXTDSA-N 2 2 286.463 3.380 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001208736919 813827471 /nfs/dbraw/zinc/82/74/71/813827471.db2.gz FUFMTNPHVHDVBG-HNNXBMFYSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001208736919 813827480 /nfs/dbraw/zinc/82/74/80/813827480.db2.gz FUFMTNPHVHDVBG-HNNXBMFYSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001209568023 814084590 /nfs/dbraw/zinc/08/45/90/814084590.db2.gz BRBKXPLICFRIFM-UHFFFAOYSA-N 2 2 297.446 3.420 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC001209568023 814084599 /nfs/dbraw/zinc/08/45/99/814084599.db2.gz BRBKXPLICFRIFM-UHFFFAOYSA-N 2 2 297.446 3.420 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209734245 814124452 /nfs/dbraw/zinc/12/44/52/814124452.db2.gz PEAXXRPSCFMIKE-SFHVURJKSA-N 2 2 297.402 3.230 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209734245 814124460 /nfs/dbraw/zinc/12/44/60/814124460.db2.gz PEAXXRPSCFMIKE-SFHVURJKSA-N 2 2 297.402 3.230 20 0 CGADLP COc1cc[nH+]cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210704670 814588081 /nfs/dbraw/zinc/58/80/81/814588081.db2.gz JCHCTOQPSNOWLK-AWEZNQCLSA-N 2 2 273.380 3.034 20 0 CGADLP Cc1ccc(O)c(NC2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210706146 814590017 /nfs/dbraw/zinc/59/00/17/814590017.db2.gz TXKVXKOOCWGAPZ-AWEZNQCLSA-N 2 2 273.380 3.040 20 0 CGADLP c1cn2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001210707789 814591117 /nfs/dbraw/zinc/59/11/17/814591117.db2.gz FCWMUIIYQGEQFM-INIZCTEOSA-N 2 2 282.391 3.278 20 0 CGADLP CSc1cncc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242948971 823184675 /nfs/dbraw/zinc/18/46/75/823184675.db2.gz HHNWFUCABVUIAU-OAHLLOKOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242948971 823184676 /nfs/dbraw/zinc/18/46/76/823184676.db2.gz HHNWFUCABVUIAU-OAHLLOKOSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222237884 816383454 /nfs/dbraw/zinc/38/34/54/816383454.db2.gz WHFZJPFRRKXXNJ-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2nc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001222237884 816383460 /nfs/dbraw/zinc/38/34/60/816383460.db2.gz WHFZJPFRRKXXNJ-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Fc1cc2cc[nH]c2c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259280 816389371 /nfs/dbraw/zinc/38/93/71/816389371.db2.gz MRLHMRSVSUNFOD-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cc2cc[nH]c2c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259280 816389378 /nfs/dbraw/zinc/38/93/78/816389378.db2.gz MRLHMRSVSUNFOD-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP c1cnc2cc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2c1 ZINC001222389936 816428615 /nfs/dbraw/zinc/42/86/15/816428615.db2.gz JIPMIMKTUZOECD-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2c1 ZINC001222389936 816428617 /nfs/dbraw/zinc/42/86/17/816428617.db2.gz JIPMIMKTUZOECD-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222427580 816442594 /nfs/dbraw/zinc/44/25/94/816442594.db2.gz SWEMBCJJZYDMSJ-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222427580 816442600 /nfs/dbraw/zinc/44/26/00/816442600.db2.gz SWEMBCJJZYDMSJ-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222464672 816450218 /nfs/dbraw/zinc/45/02/18/816450218.db2.gz BECHRAVQOLNIAJ-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222464672 816450222 /nfs/dbraw/zinc/45/02/22/816450222.db2.gz BECHRAVQOLNIAJ-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465535 816451730 /nfs/dbraw/zinc/45/17/30/816451730.db2.gz SXRDZVQOADWKJN-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222465535 816451733 /nfs/dbraw/zinc/45/17/33/816451733.db2.gz SXRDZVQOADWKJN-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP Cc1cc(COC2CC[NH+](C(C)C)CC2)cc(C)[nH+]1 ZINC001223419615 816625944 /nfs/dbraw/zinc/62/59/44/816625944.db2.gz GLUCXWUDNLVNQP-UHFFFAOYSA-N 2 2 262.397 3.088 20 0 CGADLP COc1cc(C)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001243245530 823311346 /nfs/dbraw/zinc/31/13/46/823311346.db2.gz OPXJOGRIYTZUPJ-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001243245530 823311352 /nfs/dbraw/zinc/31/13/52/823311352.db2.gz OPXJOGRIYTZUPJ-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP CC[N@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232637496 818407256 /nfs/dbraw/zinc/40/72/56/818407256.db2.gz VAPSOILHIVSSKZ-UHFFFAOYSA-N 2 2 286.463 3.482 20 0 CGADLP CC[N@@H+](Cc1cccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC001232637496 818407261 /nfs/dbraw/zinc/40/72/61/818407261.db2.gz VAPSOILHIVSSKZ-UHFFFAOYSA-N 2 2 286.463 3.482 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640223 818408908 /nfs/dbraw/zinc/40/89/08/818408908.db2.gz JYRCERJCNRQGHP-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640223 818408913 /nfs/dbraw/zinc/40/89/13/818408913.db2.gz JYRCERJCNRQGHP-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640223 818408918 /nfs/dbraw/zinc/40/89/18/818408918.db2.gz JYRCERJCNRQGHP-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640223 818408921 /nfs/dbraw/zinc/40/89/21/818408921.db2.gz JYRCERJCNRQGHP-PKOBYXMFSA-N 2 2 284.447 3.091 20 0 CGADLP CC[N@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232983671 818490809 /nfs/dbraw/zinc/49/08/09/818490809.db2.gz QYGUXSJRZCWJTB-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP CC[N@@H+](Cc1ccc(C2CC2)cc1)C1CC[NH+](C)CC1 ZINC001232983671 818490815 /nfs/dbraw/zinc/49/08/15/818490815.db2.gz QYGUXSJRZCWJTB-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1O ZINC001233234849 818549191 /nfs/dbraw/zinc/54/91/91/818549191.db2.gz FXPUFAUQKSHJOI-MRXNPFEDSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001233247669 818549908 /nfs/dbraw/zinc/54/99/08/818549908.db2.gz FVDCGLLVKIDISU-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001233247669 818549913 /nfs/dbraw/zinc/54/99/13/818549913.db2.gz FVDCGLLVKIDISU-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP COc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1-n1cc[nH+]c1 ZINC001234059817 818770317 /nfs/dbraw/zinc/77/03/17/818770317.db2.gz WIPAKWAVNLDGEI-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[N@H+]2CCC(C)(C)C2)ccc1-n1cc[nH+]c1 ZINC001234059817 818770324 /nfs/dbraw/zinc/77/03/24/818770324.db2.gz WIPAKWAVNLDGEI-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234074990 818772827 /nfs/dbraw/zinc/77/28/27/818772827.db2.gz FLGJGHWZQQZLSM-HUUCEWRRSA-N 2 2 299.418 3.359 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001234589387 818887170 /nfs/dbraw/zinc/88/71/70/818887170.db2.gz ZVZCOYUFSPAZKV-MRXNPFEDSA-N 2 2 290.407 3.300 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001234589387 818887175 /nfs/dbraw/zinc/88/71/75/818887175.db2.gz ZVZCOYUFSPAZKV-MRXNPFEDSA-N 2 2 290.407 3.300 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235006732 818976519 /nfs/dbraw/zinc/97/65/19/818976519.db2.gz KCYGDMZAOYLFPM-UHFFFAOYSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235006732 818976527 /nfs/dbraw/zinc/97/65/27/818976527.db2.gz KCYGDMZAOYLFPM-UHFFFAOYSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001235007227 818977725 /nfs/dbraw/zinc/97/77/25/818977725.db2.gz VEBGGKCOQUONOV-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC001235007227 818977727 /nfs/dbraw/zinc/97/77/27/818977727.db2.gz VEBGGKCOQUONOV-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041003 818988003 /nfs/dbraw/zinc/98/80/03/818988003.db2.gz WBVJQUDRBKJRKW-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041003 818988010 /nfs/dbraw/zinc/98/80/10/818988010.db2.gz WBVJQUDRBKJRKW-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064325 818993257 /nfs/dbraw/zinc/99/32/57/818993257.db2.gz IKVDMPYAIMICRR-LJQANCHMSA-N 2 2 297.446 3.403 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064325 818993263 /nfs/dbraw/zinc/99/32/63/818993263.db2.gz IKVDMPYAIMICRR-LJQANCHMSA-N 2 2 297.446 3.403 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235171486 819022148 /nfs/dbraw/zinc/02/21/48/819022148.db2.gz NEBPTARBETZIML-BLLLJJGKSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235171486 819022151 /nfs/dbraw/zinc/02/21/51/819022151.db2.gz NEBPTARBETZIML-BLLLJJGKSA-N 2 2 272.417 3.133 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235219521 819038739 /nfs/dbraw/zinc/03/87/39/819038739.db2.gz SAPFPDZLWBWILV-MSOLQXFVSA-N 2 2 272.436 3.213 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235219521 819038744 /nfs/dbraw/zinc/03/87/44/819038744.db2.gz SAPFPDZLWBWILV-MSOLQXFVSA-N 2 2 272.436 3.213 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCc1ccccc1Cl)C2 ZINC001235238882 819045233 /nfs/dbraw/zinc/04/52/33/819045233.db2.gz CHHUGMRYUFXYRD-GDBMZVCRSA-N 2 2 278.827 3.086 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235238882 819045235 /nfs/dbraw/zinc/04/52/35/819045235.db2.gz CHHUGMRYUFXYRD-GDBMZVCRSA-N 2 2 278.827 3.086 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc12 ZINC001235256200 819051897 /nfs/dbraw/zinc/05/18/97/819051897.db2.gz GEHOTFICJGTPMQ-WMLDXEAASA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc12 ZINC001235256200 819051902 /nfs/dbraw/zinc/05/19/02/819051902.db2.gz GEHOTFICJGTPMQ-WMLDXEAASA-N 2 2 292.382 3.380 20 0 CGADLP c1cc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cs1 ZINC001235261746 819056228 /nfs/dbraw/zinc/05/62/28/819056228.db2.gz PRSOSMPCSUBYJQ-IAGOWNOFSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cs1 ZINC001235261746 819056233 /nfs/dbraw/zinc/05/62/33/819056233.db2.gz PRSOSMPCSUBYJQ-IAGOWNOFSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347888 819074535 /nfs/dbraw/zinc/07/45/35/819074535.db2.gz ADVKTDHEXZQALC-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347888 819074538 /nfs/dbraw/zinc/07/45/38/819074538.db2.gz ADVKTDHEXZQALC-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347884 819075702 /nfs/dbraw/zinc/07/57/02/819075702.db2.gz ADVKTDHEXZQALC-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347884 819075707 /nfs/dbraw/zinc/07/57/07/819075707.db2.gz ADVKTDHEXZQALC-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC001235467163 819106152 /nfs/dbraw/zinc/10/61/52/819106152.db2.gz VLUAHPFBGCWLLT-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC001235467163 819106156 /nfs/dbraw/zinc/10/61/56/819106156.db2.gz VLUAHPFBGCWLLT-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc(OC(C)C)ccc2C)CC1 ZINC001235723527 819152216 /nfs/dbraw/zinc/15/22/16/819152216.db2.gz FAYLFFDIYLYQEM-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc(C)ccc2OC(C)C)CC1 ZINC001235724727 819153828 /nfs/dbraw/zinc/15/38/28/819153828.db2.gz COMYWSJDTBPBLF-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc(CC)c(O)c(CC)c2)CC1 ZINC001235726402 819155521 /nfs/dbraw/zinc/15/55/21/819155521.db2.gz OYZXXIGCXSPLEM-UHFFFAOYSA-N 2 2 290.451 3.091 20 0 CGADLP CC[N@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764439 819163251 /nfs/dbraw/zinc/16/32/51/819163251.db2.gz CSGJAKUZTDDJJP-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764439 819163252 /nfs/dbraw/zinc/16/32/52/819163252.db2.gz CSGJAKUZTDDJJP-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CCCCOc1cccc(C[NH+]2CCC([NH2+]C)CC2)c1 ZINC001235789898 819169558 /nfs/dbraw/zinc/16/95/58/819169558.db2.gz WZSFMCRXZLGRTD-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001235797751 819170344 /nfs/dbraw/zinc/17/03/44/819170344.db2.gz ZBFHTIAWSYNGHM-ICSRJNTNSA-N 2 2 292.426 3.386 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@@H+]2C[C@@H]2CCC[NH2+]2)cc1 ZINC001235797751 819170347 /nfs/dbraw/zinc/17/03/47/819170347.db2.gz ZBFHTIAWSYNGHM-ICSRJNTNSA-N 2 2 292.426 3.386 20 0 CGADLP C[NH2+]CCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001235883904 819196054 /nfs/dbraw/zinc/19/60/54/819196054.db2.gz BMSYRJMBMBCKHN-LLVKDONJSA-N 2 2 287.234 3.392 20 0 CGADLP C[NH2+]CCC[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001235883904 819196059 /nfs/dbraw/zinc/19/60/59/819196059.db2.gz BMSYRJMBMBCKHN-LLVKDONJSA-N 2 2 287.234 3.392 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891213 819200466 /nfs/dbraw/zinc/20/04/66/819200466.db2.gz HGTSUHZPIQLEON-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891213 819200470 /nfs/dbraw/zinc/20/04/70/819200470.db2.gz HGTSUHZPIQLEON-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892232 819202194 /nfs/dbraw/zinc/20/21/94/819202194.db2.gz MZQLSPSNHBFAJG-ZBFHGGJFSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892232 819202201 /nfs/dbraw/zinc/20/22/01/819202201.db2.gz MZQLSPSNHBFAJG-ZBFHGGJFSA-N 2 2 276.424 3.177 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900191 819211305 /nfs/dbraw/zinc/21/13/05/819211305.db2.gz OXGWPECRHDVWGO-FQUUOJAGSA-N 2 2 290.373 3.190 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900191 819211310 /nfs/dbraw/zinc/21/13/10/819211310.db2.gz OXGWPECRHDVWGO-FQUUOJAGSA-N 2 2 290.373 3.190 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927719 819226731 /nfs/dbraw/zinc/22/67/31/819226731.db2.gz KUYFDIAWWKUOBJ-INIZCTEOSA-N 2 2 294.483 3.212 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927719 819226737 /nfs/dbraw/zinc/22/67/37/819226737.db2.gz KUYFDIAWWKUOBJ-INIZCTEOSA-N 2 2 294.483 3.212 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959310 819247982 /nfs/dbraw/zinc/24/79/82/819247982.db2.gz NGFGSFJGMZDLQC-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959310 819247989 /nfs/dbraw/zinc/24/79/89/819247989.db2.gz NGFGSFJGMZDLQC-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981700 819257926 /nfs/dbraw/zinc/25/79/26/819257926.db2.gz RYQDXUDIFBDVQW-BEFAXECRSA-N 2 2 296.414 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981700 819257931 /nfs/dbraw/zinc/25/79/31/819257931.db2.gz RYQDXUDIFBDVQW-BEFAXECRSA-N 2 2 296.414 3.162 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235989911 819262924 /nfs/dbraw/zinc/26/29/24/819262924.db2.gz FARNCXDSJAIPMY-MAUKXSAKSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235989911 819262927 /nfs/dbraw/zinc/26/29/27/819262927.db2.gz FARNCXDSJAIPMY-MAUKXSAKSA-N 2 2 288.435 3.014 20 0 CGADLP CCCc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236009418 819273818 /nfs/dbraw/zinc/27/38/18/819273818.db2.gz YQWRHEOXSZNMDJ-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236009418 819273821 /nfs/dbraw/zinc/27/38/21/819273821.db2.gz YQWRHEOXSZNMDJ-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)s1 ZINC001236059141 819292342 /nfs/dbraw/zinc/29/23/42/819292342.db2.gz AKPDRFSMDDWKSL-JSGCOSHPSA-N 2 2 272.417 3.085 20 0 CGADLP c1cc2c(cccc2C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)s1 ZINC001236059141 819292344 /nfs/dbraw/zinc/29/23/44/819292344.db2.gz AKPDRFSMDDWKSL-JSGCOSHPSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001236094187 819311449 /nfs/dbraw/zinc/31/14/49/819311449.db2.gz RZEXGSFOVXBQSO-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001236094187 819311454 /nfs/dbraw/zinc/31/14/54/819311454.db2.gz RZEXGSFOVXBQSO-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001236141540 819341889 /nfs/dbraw/zinc/34/18/89/819341889.db2.gz HXNZRUMTVMJDTP-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001236141540 819341897 /nfs/dbraw/zinc/34/18/97/819341897.db2.gz HXNZRUMTVMJDTP-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CCc1cccc2c(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236208336 819370393 /nfs/dbraw/zinc/37/03/93/819370393.db2.gz RMVWGXGGJPONSZ-SFHVURJKSA-N 2 2 285.435 3.304 20 0 CGADLP CCc1cccc2c(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236208336 819370396 /nfs/dbraw/zinc/37/03/96/819370396.db2.gz RMVWGXGGJPONSZ-SFHVURJKSA-N 2 2 285.435 3.304 20 0 CGADLP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236210381 819372684 /nfs/dbraw/zinc/37/26/84/819372684.db2.gz UUNUSYNXGMJHAN-QGZVFWFLSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236210381 819372690 /nfs/dbraw/zinc/37/26/90/819372690.db2.gz UUNUSYNXGMJHAN-QGZVFWFLSA-N 2 2 276.399 3.277 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236211461 819374478 /nfs/dbraw/zinc/37/44/78/819374478.db2.gz IHMCSLFNZIWELD-SJLPKXTDSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236211461 819374485 /nfs/dbraw/zinc/37/44/85/819374485.db2.gz IHMCSLFNZIWELD-SJLPKXTDSA-N 2 2 283.419 3.245 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215193 819378742 /nfs/dbraw/zinc/37/87/42/819378742.db2.gz WSRGAXYCYUKCPN-CVEARBPZSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215193 819378746 /nfs/dbraw/zinc/37/87/46/819378746.db2.gz WSRGAXYCYUKCPN-CVEARBPZSA-N 2 2 276.424 3.176 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236216891 819382204 /nfs/dbraw/zinc/38/22/04/819382204.db2.gz MBRRUAPMZZRTFI-DLBZAZTESA-N 2 2 298.434 3.087 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236216891 819382210 /nfs/dbraw/zinc/38/22/10/819382210.db2.gz MBRRUAPMZZRTFI-DLBZAZTESA-N 2 2 298.434 3.087 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217773 819384809 /nfs/dbraw/zinc/38/48/09/819384809.db2.gz QFYCJTIFSRXXFD-RHSMWYFYSA-N 2 2 289.398 3.317 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217773 819384816 /nfs/dbraw/zinc/38/48/16/819384816.db2.gz QFYCJTIFSRXXFD-RHSMWYFYSA-N 2 2 289.398 3.317 20 0 CGADLP CCc1cccc(C)c1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236239288 819397569 /nfs/dbraw/zinc/39/75/69/819397569.db2.gz GKMFPLXZCOGQMD-KRWDZBQOSA-N 2 2 272.436 3.274 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236239288 819397576 /nfs/dbraw/zinc/39/75/76/819397576.db2.gz GKMFPLXZCOGQMD-KRWDZBQOSA-N 2 2 272.436 3.274 20 0 CGADLP Cc1ccnc2cccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c12 ZINC001236242727 819401183 /nfs/dbraw/zinc/40/11/83/819401183.db2.gz YITUTXSOOZRNGZ-KRWDZBQOSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c12 ZINC001236242727 819401186 /nfs/dbraw/zinc/40/11/86/819401186.db2.gz YITUTXSOOZRNGZ-KRWDZBQOSA-N 2 2 295.430 3.260 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)s1 ZINC001236418882 819464688 /nfs/dbraw/zinc/46/46/88/819464688.db2.gz GUUPCGLCYNOCOK-WFASDCNBSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)s1 ZINC001236418882 819464692 /nfs/dbraw/zinc/46/46/92/819464692.db2.gz GUUPCGLCYNOCOK-WFASDCNBSA-N 2 2 266.454 3.402 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236436169 819478128 /nfs/dbraw/zinc/47/81/28/819478128.db2.gz XIHBLPKJTWXAOC-GOSISDBHSA-N 2 2 298.361 3.459 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001236436169 819478131 /nfs/dbraw/zinc/47/81/31/819478131.db2.gz XIHBLPKJTWXAOC-GOSISDBHSA-N 2 2 298.361 3.459 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001236436575 819478492 /nfs/dbraw/zinc/47/84/92/819478492.db2.gz YSRZEGKPZXTVSJ-GOSISDBHSA-N 2 2 284.378 3.226 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001236436575 819478497 /nfs/dbraw/zinc/47/84/97/819478497.db2.gz YSRZEGKPZXTVSJ-GOSISDBHSA-N 2 2 284.378 3.226 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647779 819560576 /nfs/dbraw/zinc/56/05/76/819560576.db2.gz NDIQIVWJIRMUGT-BVIKNXMNSA-N 2 2 274.452 3.195 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647779 819560581 /nfs/dbraw/zinc/56/05/81/819560581.db2.gz NDIQIVWJIRMUGT-BVIKNXMNSA-N 2 2 274.452 3.195 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082882 819663382 /nfs/dbraw/zinc/66/33/82/819663382.db2.gz UHIZDUQZYSXLLK-QGZVFWFLSA-N 2 2 294.414 3.175 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237082882 819663386 /nfs/dbraw/zinc/66/33/86/819663386.db2.gz UHIZDUQZYSXLLK-QGZVFWFLSA-N 2 2 294.414 3.175 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CC2OC=CC2=S)CC1 ZINC001237186173 819691238 /nfs/dbraw/zinc/69/12/38/819691238.db2.gz KMINYZZEDBVANB-UHFFFAOYSA-N 2 2 280.437 3.019 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001237330237 819728750 /nfs/dbraw/zinc/72/87/50/819728750.db2.gz OFUPQHFOFJBBRM-FUHWJXTLSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001237330237 819728753 /nfs/dbraw/zinc/72/87/53/819728753.db2.gz OFUPQHFOFJBBRM-FUHWJXTLSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001237330237 819728758 /nfs/dbraw/zinc/72/87/58/819728758.db2.gz OFUPQHFOFJBBRM-FUHWJXTLSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001237330237 819728762 /nfs/dbraw/zinc/72/87/62/819728762.db2.gz OFUPQHFOFJBBRM-FUHWJXTLSA-N 2 2 272.436 3.083 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386783 819739568 /nfs/dbraw/zinc/73/95/68/819739568.db2.gz AHIHMQHDKDFOMN-CJNGLKHVSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386783 819739574 /nfs/dbraw/zinc/73/95/74/819739574.db2.gz AHIHMQHDKDFOMN-CJNGLKHVSA-N 2 2 278.827 3.222 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418349 819749135 /nfs/dbraw/zinc/74/91/35/819749135.db2.gz YEGCCIRDUQISJZ-BLLLJJGKSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418349 819749139 /nfs/dbraw/zinc/74/91/39/819749139.db2.gz YEGCCIRDUQISJZ-BLLLJJGKSA-N 2 2 288.366 3.146 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)n1 ZINC001238120011 819939041 /nfs/dbraw/zinc/93/90/41/819939041.db2.gz SNSJGSSEYHFAGZ-AWEZNQCLSA-N 2 2 284.388 3.128 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)n1 ZINC001238120011 819939044 /nfs/dbraw/zinc/93/90/44/819939044.db2.gz SNSJGSSEYHFAGZ-AWEZNQCLSA-N 2 2 284.388 3.128 20 0 CGADLP Cc1cc2[nH+]ccn2cc1-c1ccccc1C[NH+](C)C ZINC001239683253 820518958 /nfs/dbraw/zinc/51/89/58/820518958.db2.gz CVZUBTOGFDUPFO-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240218255 820891854 /nfs/dbraw/zinc/89/18/54/820891854.db2.gz ICHSPPBDBYAGBN-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP CC[NH+](CC)Cc1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001240518666 821116748 /nfs/dbraw/zinc/11/67/48/821116748.db2.gz SBIWFYFOZYREPE-UHFFFAOYSA-N 2 2 280.375 3.238 20 0 CGADLP CC(C)(C)/C=C/c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001241565486 821950929 /nfs/dbraw/zinc/95/09/29/821950929.db2.gz AFOOLWDKLSGREY-XAVKZTDYSA-N 2 2 258.409 3.279 20 0 CGADLP CC(C)(C)/C=C/c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001241565486 821950933 /nfs/dbraw/zinc/95/09/33/821950933.db2.gz AFOOLWDKLSGREY-XAVKZTDYSA-N 2 2 258.409 3.279 20 0 CGADLP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]c2ccccc12 ZINC001330156935 935272453 /nfs/dbraw/zinc/27/24/53/935272453.db2.gz NOHCJVVNBXYEQI-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]c2ccccc12 ZINC001330156935 935272457 /nfs/dbraw/zinc/27/24/57/935272457.db2.gz NOHCJVVNBXYEQI-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001346425836 936848273 /nfs/dbraw/zinc/84/82/73/936848273.db2.gz ZHSWVBYQVDQLAR-UHFFFAOYSA-N 2 2 295.430 3.290 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001346425836 936848275 /nfs/dbraw/zinc/84/82/75/936848275.db2.gz ZHSWVBYQVDQLAR-UHFFFAOYSA-N 2 2 295.430 3.290 20 0 CGADLP COc1ccccc1C1([NH2+]C[C@H]([NH3+])CC(C)C)CCC1 ZINC001348511604 936924516 /nfs/dbraw/zinc/92/45/16/936924516.db2.gz RMZQVQMELIWKAQ-CQSZACIVSA-N 2 2 276.424 3.037 20 0 CGADLP CCc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]c1 ZINC001354079398 937089310 /nfs/dbraw/zinc/08/93/10/937089310.db2.gz KBDMAMJEYZWLIB-UHFFFAOYSA-N 2 2 296.418 3.116 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163437628 928259565 /nfs/dbraw/zinc/25/95/65/928259565.db2.gz HFDXOIAKBVNPKU-QWRGUYRKSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163437628 928259574 /nfs/dbraw/zinc/25/95/74/928259574.db2.gz HFDXOIAKBVNPKU-QWRGUYRKSA-N 2 2 287.234 3.410 20 0 CGADLP CC(C)[C@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC001459830238 937502610 /nfs/dbraw/zinc/50/26/10/937502610.db2.gz IFWFVODBFCYJCB-MRXNPFEDSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)[C@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC001459830238 937502613 /nfs/dbraw/zinc/50/26/13/937502613.db2.gz IFWFVODBFCYJCB-MRXNPFEDSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c(C)s1 ZINC001460563828 937535495 /nfs/dbraw/zinc/53/54/95/937535495.db2.gz ZZISVTPVFHZEPV-HZPDHXFCSA-N 2 2 278.465 3.139 20 0 CGADLP COc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1C ZINC001460957976 937556184 /nfs/dbraw/zinc/55/61/84/937556184.db2.gz BKLTVGZCCPNZIL-UHFFFAOYSA-N 2 2 299.418 3.117 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000315147400 932029818 /nfs/dbraw/zinc/02/98/18/932029818.db2.gz SCBZFAWGZVJCSG-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001461360135 937577367 /nfs/dbraw/zinc/57/73/67/937577367.db2.gz AEALMMUQASBXRQ-AWEZNQCLSA-N 2 2 296.405 3.422 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001461360135 937577369 /nfs/dbraw/zinc/57/73/69/937577369.db2.gz AEALMMUQASBXRQ-AWEZNQCLSA-N 2 2 296.405 3.422 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461570070 937586707 /nfs/dbraw/zinc/58/67/07/937586707.db2.gz BHUDWLCDONYRRP-CVEARBPZSA-N 2 2 272.436 3.428 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461570070 937586708 /nfs/dbraw/zinc/58/67/08/937586708.db2.gz BHUDWLCDONYRRP-CVEARBPZSA-N 2 2 272.436 3.428 20 0 CGADLP C[NH+](C)[C@H]1CC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001229954353 932509537 /nfs/dbraw/zinc/50/95/37/932509537.db2.gz OFFAZCBLJDZRDM-KOMQPUFPSA-N 2 2 285.391 3.124 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082757 932674331 /nfs/dbraw/zinc/67/43/31/932674331.db2.gz YVYMRLZSOHULNB-CYBMUJFWSA-N 2 2 273.380 3.186 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC001462200122 937624678 /nfs/dbraw/zinc/62/46/78/937624678.db2.gz NUWZUBWYWKDCTB-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC001462200122 937624681 /nfs/dbraw/zinc/62/46/81/937624681.db2.gz NUWZUBWYWKDCTB-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC001308175913 933067032 /nfs/dbraw/zinc/06/70/32/933067032.db2.gz CPTKMOXOYSWUBK-QGZVFWFLSA-N 2 2 298.430 3.422 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC001308175913 933067034 /nfs/dbraw/zinc/06/70/34/933067034.db2.gz CPTKMOXOYSWUBK-QGZVFWFLSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001308195668 933071107 /nfs/dbraw/zinc/07/11/07/933071107.db2.gz RETQFIDNMHRWLS-ZDUSSCGKSA-N 2 2 298.415 3.185 20 0 CGADLP c1nc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2s1 ZINC001308298277 933090754 /nfs/dbraw/zinc/09/07/54/933090754.db2.gz QKIZXIWLYLSSEF-UHFFFAOYSA-N 2 2 298.415 3.283 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001308463560 933114885 /nfs/dbraw/zinc/11/48/85/933114885.db2.gz FOORZBJENAEGPF-IXDOHACOSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC001308544873 933128014 /nfs/dbraw/zinc/12/80/14/933128014.db2.gz XBKUZAYEWVZLEM-ISZGNANSSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC001308544873 933128016 /nfs/dbraw/zinc/12/80/16/933128016.db2.gz XBKUZAYEWVZLEM-ISZGNANSSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cc(C)cc(C)c1 ZINC001308577554 933136150 /nfs/dbraw/zinc/13/61/50/933136150.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 2 2 286.463 3.405 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cc(C)cc(C)c1 ZINC001308577554 933136154 /nfs/dbraw/zinc/13/61/54/933136154.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 2 2 286.463 3.405 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cc(C)cc(C)c1 ZINC001308577554 933136156 /nfs/dbraw/zinc/13/61/56/933136156.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 2 2 286.463 3.405 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1cc(C)cc(C)c1 ZINC001308577554 933136162 /nfs/dbraw/zinc/13/61/62/933136162.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 2 2 286.463 3.405 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001308743029 933168050 /nfs/dbraw/zinc/16/80/50/933168050.db2.gz YIOQRBJUXFLFIV-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001308743029 933168054 /nfs/dbraw/zinc/16/80/54/933168054.db2.gz YIOQRBJUXFLFIV-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904372 933200696 /nfs/dbraw/zinc/20/06/96/933200696.db2.gz LLVNFVPZYAMZOQ-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904372 933200701 /nfs/dbraw/zinc/20/07/01/933200701.db2.gz LLVNFVPZYAMZOQ-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904372 933200703 /nfs/dbraw/zinc/20/07/03/933200703.db2.gz LLVNFVPZYAMZOQ-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001308904372 933200708 /nfs/dbraw/zinc/20/07/08/933200708.db2.gz LLVNFVPZYAMZOQ-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001308904369 933201045 /nfs/dbraw/zinc/20/10/45/933201045.db2.gz LLVNFVPZYAMZOQ-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001308904369 933201050 /nfs/dbraw/zinc/20/10/50/933201050.db2.gz LLVNFVPZYAMZOQ-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904369 933201053 /nfs/dbraw/zinc/20/10/53/933201053.db2.gz LLVNFVPZYAMZOQ-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001308904369 933201060 /nfs/dbraw/zinc/20/10/60/933201060.db2.gz LLVNFVPZYAMZOQ-PBHICJAKSA-N 2 2 292.854 3.428 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001308908505 933201860 /nfs/dbraw/zinc/20/18/60/933201860.db2.gz WWZYOTRJBPHBKY-IRXDYDNUSA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001308908505 933201863 /nfs/dbraw/zinc/20/18/63/933201863.db2.gz WWZYOTRJBPHBKY-IRXDYDNUSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC1CCC1 ZINC001322336457 934281909 /nfs/dbraw/zinc/28/19/09/934281909.db2.gz LGNQDDQAROFMFX-UHFFFAOYSA-N 2 2 284.363 3.095 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC001325742068 934926172 /nfs/dbraw/zinc/92/61/72/934926172.db2.gz AOJQVQDGSIEFEZ-BXUZGUMPSA-N 2 2 268.351 3.244 20 0 CGADLP CC[C@H](C)CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001325875334 934935974 /nfs/dbraw/zinc/93/59/74/934935974.db2.gz ZHUWQIOSAFVPAZ-LBPRGKRZSA-N 2 2 286.379 3.341 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(F)cccc1Cl ZINC001328399017 935134208 /nfs/dbraw/zinc/13/42/08/935134208.db2.gz PMYNTOTXVTWKPG-WDEREUQCSA-N 2 2 270.779 3.129 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001329747711 935243176 /nfs/dbraw/zinc/24/31/76/935243176.db2.gz AXTQTAYHAJSSFJ-YOEHRIQHSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329747711 935243181 /nfs/dbraw/zinc/24/31/81/935243181.db2.gz AXTQTAYHAJSSFJ-YOEHRIQHSA-N 2 2 281.403 3.074 20 0 CGADLP CC1CC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001331501235 935386283 /nfs/dbraw/zinc/38/62/83/935386283.db2.gz JBMIVFSVVNPYMQ-JFUPDXTOSA-N 2 2 285.435 3.181 20 0 CGADLP CC1CC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001331501235 935386289 /nfs/dbraw/zinc/38/62/89/935386289.db2.gz JBMIVFSVVNPYMQ-JFUPDXTOSA-N 2 2 285.435 3.181 20 0 CGADLP Clc1ccnc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC001332384974 935464310 /nfs/dbraw/zinc/46/43/10/935464310.db2.gz JXJWXZIAYRLUDB-OAHLLOKOSA-N 2 2 293.842 3.188 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001333021372 935505568 /nfs/dbraw/zinc/50/55/68/935505568.db2.gz FJCAEDCQFYWRDZ-HNNXBMFYSA-N 2 2 287.451 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001333021372 935505571 /nfs/dbraw/zinc/50/55/71/935505571.db2.gz FJCAEDCQFYWRDZ-HNNXBMFYSA-N 2 2 287.451 3.255 20 0 CGADLP CC[NH+](CC)CC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001336477825 936194825 /nfs/dbraw/zinc/19/48/25/936194825.db2.gz CUWFQPPNAFCUSP-UHFFFAOYSA-N 2 2 279.403 3.087 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC001473894807 937828090 /nfs/dbraw/zinc/82/80/90/937828090.db2.gz RCOAQPFWCMOLGM-UHFFFAOYSA-N 2 2 273.424 3.180 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC001473918952 937830003 /nfs/dbraw/zinc/83/00/03/937830003.db2.gz RGISCUNRJJAVBE-UHFFFAOYSA-N 2 2 275.783 3.091 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001474033953 937836714 /nfs/dbraw/zinc/83/67/14/937836714.db2.gz GKRNNLSXFQFJTP-KRWDZBQOSA-N 2 2 292.492 3.139 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001474033954 937836949 /nfs/dbraw/zinc/83/69/49/937836949.db2.gz GKRNNLSXFQFJTP-QGZVFWFLSA-N 2 2 292.492 3.139 20 0 CGADLP COc1cc[nH+]c(N2CC[NH+](CCCCC(C)C)CC2)c1 ZINC001474335282 937852896 /nfs/dbraw/zinc/85/28/96/937852896.db2.gz OHBSKEIXWKMLKR-UHFFFAOYSA-N 2 2 291.439 3.039 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549118283 938000926 /nfs/dbraw/zinc/00/09/26/938000926.db2.gz YFSXGRCLHRPKPS-CZUORRHYSA-N 2 2 293.480 3.047 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549118283 938000927 /nfs/dbraw/zinc/00/09/27/938000927.db2.gz YFSXGRCLHRPKPS-CZUORRHYSA-N 2 2 293.480 3.047 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cs1 ZINC001548847634 938152339 /nfs/dbraw/zinc/15/23/39/938152339.db2.gz DKLRZLDODQPSPG-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cs1 ZINC001548847634 938152340 /nfs/dbraw/zinc/15/23/40/938152340.db2.gz DKLRZLDODQPSPG-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549042303 938154485 /nfs/dbraw/zinc/15/44/85/938154485.db2.gz ZCHRCTMMOSTDBJ-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549042303 938154486 /nfs/dbraw/zinc/15/44/86/938154486.db2.gz ZCHRCTMMOSTDBJ-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1C ZINC001550531306 938167087 /nfs/dbraw/zinc/16/70/87/938167087.db2.gz NUKXGURYICIYKS-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1C ZINC001550531306 938167088 /nfs/dbraw/zinc/16/70/88/938167088.db2.gz NUKXGURYICIYKS-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551377938 938180637 /nfs/dbraw/zinc/18/06/37/938180637.db2.gz KVIHWMFRHKHXFB-AGRHKRQWSA-N 2 2 296.414 3.361 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551378347 938180750 /nfs/dbraw/zinc/18/07/50/938180750.db2.gz OUCRJYPUZNFXLV-DOPJRALCSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC001551379238 938180824 /nfs/dbraw/zinc/18/08/24/938180824.db2.gz WCIMLQGTLFFNSE-ISWURRPUSA-N 2 2 276.399 3.119 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC001551379351 938180848 /nfs/dbraw/zinc/18/08/48/938180848.db2.gz XFMVWLZZDYXALO-IPMKNSEASA-N 2 2 278.399 3.352 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816170 938200911 /nfs/dbraw/zinc/20/09/11/938200911.db2.gz KVCLFZXCDRMCLH-INIZCTEOSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816170 938200912 /nfs/dbraw/zinc/20/09/12/938200912.db2.gz KVCLFZXCDRMCLH-INIZCTEOSA-N 2 2 294.402 3.281 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cccc(Cl)c1Cl ZINC001559888573 938238113 /nfs/dbraw/zinc/23/81/13/938238113.db2.gz PTOIAQGVEVYEQG-UHFFFAOYSA-N 2 2 289.250 3.466 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560181287 938246343 /nfs/dbraw/zinc/24/63/43/938246343.db2.gz NTUPKGFKEWMCQM-SFHVURJKSA-N 2 2 297.446 3.478 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560181287 938246344 /nfs/dbraw/zinc/24/63/44/938246344.db2.gz NTUPKGFKEWMCQM-SFHVURJKSA-N 2 2 297.446 3.478 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC001560262804 938249677 /nfs/dbraw/zinc/24/96/77/938249677.db2.gz PFSRCXKHSJTISX-OSJSJHBBSA-N 2 2 283.419 3.500 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC001560262246 938249950 /nfs/dbraw/zinc/24/99/50/938249950.db2.gz VFQUGWUPOIXEHB-GVDBMIGSSA-N 2 2 264.457 3.443 20 0 CGADLP CC[C@H]1C[C@@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001560291639 938251303 /nfs/dbraw/zinc/25/13/03/938251303.db2.gz AGKVKAXWBDSCDZ-RDJZCZTQSA-N 2 2 299.418 3.167 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC001560945827 938285675 /nfs/dbraw/zinc/28/56/75/938285675.db2.gz KSJHJJTUGZCMCO-WBVHZDCISA-N 2 2 260.425 3.172 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC001560945827 938285677 /nfs/dbraw/zinc/28/56/77/938285677.db2.gz KSJHJJTUGZCMCO-WBVHZDCISA-N 2 2 260.425 3.172 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC001576004582 962430187 /nfs/dbraw/zinc/43/01/87/962430187.db2.gz FTPSAXHIWCMLPT-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC001576004582 962430198 /nfs/dbraw/zinc/43/01/98/962430198.db2.gz FTPSAXHIWCMLPT-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001576590139 962478868 /nfs/dbraw/zinc/47/88/68/962478868.db2.gz YZUFVCGZSUTBES-JZAWBGDQSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001576590139 962478877 /nfs/dbraw/zinc/47/88/77/962478877.db2.gz YZUFVCGZSUTBES-JZAWBGDQSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)[C@@H]1C[NH3+] ZINC001576704122 962482260 /nfs/dbraw/zinc/48/22/60/962482260.db2.gz LQJBSSJPLUZPJR-BRWVUGGUSA-N 2 2 294.483 3.318 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)[C@@H]1C[NH3+] ZINC001576704122 962482270 /nfs/dbraw/zinc/48/22/70/962482270.db2.gz LQJBSSJPLUZPJR-BRWVUGGUSA-N 2 2 294.483 3.318 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001577608809 962553357 /nfs/dbraw/zinc/55/33/57/962553357.db2.gz MFWMWROBOYFCHX-RTBURBONSA-N 2 2 280.415 3.353 20 0 CGADLP C[N@H+](Cc1cc2ccnc(Cl)c2s1)CC(C)(C)[NH3+] ZINC001578485783 962591866 /nfs/dbraw/zinc/59/18/66/962591866.db2.gz PHNDXZQNOXGTJL-UHFFFAOYSA-N 2 2 283.828 3.119 20 0 CGADLP C[N@@H+](Cc1cc2ccnc(Cl)c2s1)CC(C)(C)[NH3+] ZINC001578485783 962591874 /nfs/dbraw/zinc/59/18/74/962591874.db2.gz PHNDXZQNOXGTJL-UHFFFAOYSA-N 2 2 283.828 3.119 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC001580023836 962691246 /nfs/dbraw/zinc/69/12/46/962691246.db2.gz HSCMTJUIWPTWBM-WFASDCNBSA-N 2 2 298.402 3.233 20 0 CGADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000337411262 214063244 /nfs/dbraw/zinc/06/32/44/214063244.db2.gz NMUUBUQPZIVKPV-OAHLLOKOSA-N 2 2 261.344 3.009 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000621268478 349486108 /nfs/dbraw/zinc/48/61/08/349486108.db2.gz LUXWJVFCHKSVCI-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000621268478 349486110 /nfs/dbraw/zinc/48/61/10/349486110.db2.gz LUXWJVFCHKSVCI-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000651225515 398218505 /nfs/dbraw/zinc/21/85/05/398218505.db2.gz FRPRHCKGRQLFSE-LSDHHAIUSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000651225515 398218507 /nfs/dbraw/zinc/21/85/07/398218507.db2.gz FRPRHCKGRQLFSE-LSDHHAIUSA-N 2 2 264.438 3.273 20 0 CGADLP c1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)CCC2 ZINC000651789672 398288627 /nfs/dbraw/zinc/28/86/27/398288627.db2.gz VFLCZSGJMDITIX-GOSISDBHSA-N 2 2 294.398 3.224 20 0 CGADLP c1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)CCC2 ZINC000651789672 398288630 /nfs/dbraw/zinc/28/86/30/398288630.db2.gz VFLCZSGJMDITIX-GOSISDBHSA-N 2 2 294.398 3.224 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2CC(C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000622044896 349623010 /nfs/dbraw/zinc/62/30/10/349623010.db2.gz WVBXWUIWDUXPMY-PCHAPFSGSA-N 2 2 288.435 3.124 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000622043597 349623156 /nfs/dbraw/zinc/62/31/56/349623156.db2.gz DZSOVKFIAJXBPA-IAGOWNOFSA-N 2 2 286.350 3.069 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000350747961 219056746 /nfs/dbraw/zinc/05/67/46/219056746.db2.gz OZBSHKRFVXYPNW-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000350747961 219056749 /nfs/dbraw/zinc/05/67/49/219056749.db2.gz OZBSHKRFVXYPNW-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350747961 219056750 /nfs/dbraw/zinc/05/67/50/219056750.db2.gz OZBSHKRFVXYPNW-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000350747961 219056752 /nfs/dbraw/zinc/05/67/52/219056752.db2.gz OZBSHKRFVXYPNW-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000651865616 398299198 /nfs/dbraw/zinc/29/91/98/398299198.db2.gz AUFWSVXBVQRFKR-UHFFFAOYSA-N 2 2 283.485 3.334 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000651865616 398299200 /nfs/dbraw/zinc/29/92/00/398299200.db2.gz AUFWSVXBVQRFKR-UHFFFAOYSA-N 2 2 283.485 3.334 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1F ZINC000338015002 214362246 /nfs/dbraw/zinc/36/22/46/214362246.db2.gz UQIJEVCIFDIWIR-CYBMUJFWSA-N 2 2 291.414 3.278 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423458738 529453174 /nfs/dbraw/zinc/45/31/74/529453174.db2.gz HDOUJVBRBUWLIG-WMZOPIPTSA-N 2 2 284.403 3.112 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083563 346899871 /nfs/dbraw/zinc/89/98/71/346899871.db2.gz XWBKFDOBUKRMFW-BRWVUGGUSA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083563 346899873 /nfs/dbraw/zinc/89/98/73/346899873.db2.gz XWBKFDOBUKRMFW-BRWVUGGUSA-N 2 2 291.439 3.115 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000423455829 529568235 /nfs/dbraw/zinc/56/82/35/529568235.db2.gz CYZMQMOOGOUXRT-PWSUYJOCSA-N 2 2 272.339 3.066 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@H]1C ZINC000414067064 529585286 /nfs/dbraw/zinc/58/52/86/529585286.db2.gz IPPGMPDOINKXND-JLSDUUJJSA-N 2 2 287.451 3.070 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1F ZINC000414125129 529607839 /nfs/dbraw/zinc/60/78/39/529607839.db2.gz MEJGRIZUQXMWQO-AWEZNQCLSA-N 2 2 295.789 3.496 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089495 349758850 /nfs/dbraw/zinc/75/88/50/349758850.db2.gz KAQOQAGYXNOVLU-HIFRSBDPSA-N 2 2 288.426 3.379 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC1(C)C ZINC000623344954 349783454 /nfs/dbraw/zinc/78/34/54/349783454.db2.gz KIIAIJCBECAQPM-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)CC1(C)C ZINC000623344954 349783457 /nfs/dbraw/zinc/78/34/57/349783457.db2.gz KIIAIJCBECAQPM-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000270678583 282207603 /nfs/dbraw/zinc/20/76/03/282207603.db2.gz UBNNTLQLOCSLBS-XJKSGUPXSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000270678583 282207604 /nfs/dbraw/zinc/20/76/04/282207604.db2.gz UBNNTLQLOCSLBS-XJKSGUPXSA-N 2 2 287.382 3.209 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cc(F)ccc1F ZINC000423266025 529668846 /nfs/dbraw/zinc/66/88/46/529668846.db2.gz ROURLNHDRABSDO-WFASDCNBSA-N 2 2 270.367 3.379 20 0 CGADLP CC[N@H+](CC[C@H](C)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352013110 136384854 /nfs/dbraw/zinc/38/48/54/136384854.db2.gz HUOZELFUBHVHKY-HNNXBMFYSA-N 2 2 293.430 3.368 20 0 CGADLP CC[N@@H+](CC[C@H](C)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352013110 136384855 /nfs/dbraw/zinc/38/48/55/136384855.db2.gz HUOZELFUBHVHKY-HNNXBMFYSA-N 2 2 293.430 3.368 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591868799 346944227 /nfs/dbraw/zinc/94/42/27/346944227.db2.gz FGBBTHRXNBPBGG-AWEZNQCLSA-N 2 2 290.436 3.300 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591868799 346944229 /nfs/dbraw/zinc/94/42/29/346944229.db2.gz FGBBTHRXNBPBGG-AWEZNQCLSA-N 2 2 290.436 3.300 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000295000941 199293947 /nfs/dbraw/zinc/29/39/47/199293947.db2.gz RNEVOXOWLDJLTH-KDOFPFPSSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000295000941 199293949 /nfs/dbraw/zinc/29/39/49/199293949.db2.gz RNEVOXOWLDJLTH-KDOFPFPSSA-N 2 2 297.402 3.169 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000423559797 529722160 /nfs/dbraw/zinc/72/21/60/529722160.db2.gz PDWCWWZNMDLWSZ-NWDGAFQWSA-N 2 2 252.427 3.103 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008014 199297461 /nfs/dbraw/zinc/29/74/61/199297461.db2.gz SNSDTTSHMFPBOQ-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008014 199297462 /nfs/dbraw/zinc/29/74/62/199297462.db2.gz SNSDTTSHMFPBOQ-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008014 199297464 /nfs/dbraw/zinc/29/74/64/199297464.db2.gz SNSDTTSHMFPBOQ-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008014 199297466 /nfs/dbraw/zinc/29/74/66/199297466.db2.gz SNSDTTSHMFPBOQ-KBXCAEBGSA-N 2 2 288.435 3.051 20 0 CGADLP Cc1cnc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000351332583 219090322 /nfs/dbraw/zinc/09/03/22/219090322.db2.gz TUTHKSLVUBJABB-CYBMUJFWSA-N 2 2 275.421 3.438 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128112676 187351838 /nfs/dbraw/zinc/35/18/38/187351838.db2.gz HSBFDSAPSKWKGZ-CYBMUJFWSA-N 2 2 276.399 3.351 20 0 CGADLP CC[N@H+](CCSC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000592526355 346996353 /nfs/dbraw/zinc/99/63/53/346996353.db2.gz ALUOETNVUDGPLH-UHFFFAOYSA-N 2 2 281.450 3.119 20 0 CGADLP CC[N@@H+](CCSC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000592526355 346996358 /nfs/dbraw/zinc/99/63/58/346996358.db2.gz ALUOETNVUDGPLH-UHFFFAOYSA-N 2 2 281.450 3.119 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCCC23CC3)[nH+]1 ZINC000623825023 349890596 /nfs/dbraw/zinc/89/05/96/349890596.db2.gz VBZVGYLHVHOEIH-CYBMUJFWSA-N 2 2 255.365 3.004 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623859598 349898445 /nfs/dbraw/zinc/89/84/45/349898445.db2.gz UALHZEAMWRQYBD-CQSZACIVSA-N 2 2 293.480 3.231 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000351583316 219133578 /nfs/dbraw/zinc/13/35/78/219133578.db2.gz OMIKZROIQNJPQQ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000351583316 219133580 /nfs/dbraw/zinc/13/35/80/219133580.db2.gz OMIKZROIQNJPQQ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000351583316 219133583 /nfs/dbraw/zinc/13/35/83/219133583.db2.gz OMIKZROIQNJPQQ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351583316 219133585 /nfs/dbraw/zinc/13/35/85/219133585.db2.gz OMIKZROIQNJPQQ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414817645 529978353 /nfs/dbraw/zinc/97/83/53/529978353.db2.gz BJLMECSPWHICFK-UHFFFAOYSA-N 2 2 280.824 3.378 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000351595659 219139608 /nfs/dbraw/zinc/13/96/08/219139608.db2.gz FMBANKXIWYUTRW-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000351595659 219139611 /nfs/dbraw/zinc/13/96/11/219139611.db2.gz FMBANKXIWYUTRW-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(Cl)c1F)C[C@H]1CCC[N@H+](C)C1 ZINC000351595659 219139613 /nfs/dbraw/zinc/13/96/13/219139613.db2.gz FMBANKXIWYUTRW-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(Cl)c1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000351595659 219139614 /nfs/dbraw/zinc/13/96/14/219139614.db2.gz FMBANKXIWYUTRW-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528870 530051932 /nfs/dbraw/zinc/05/19/32/530051932.db2.gz VJNWFZIHYXQKFU-HZPDHXFCSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528870 530051933 /nfs/dbraw/zinc/05/19/33/530051933.db2.gz VJNWFZIHYXQKFU-HZPDHXFCSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000623922602 349916406 /nfs/dbraw/zinc/91/64/06/349916406.db2.gz DZQSZPYEEVLIKX-HUUCEWRRSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000623922602 349916413 /nfs/dbraw/zinc/91/64/13/349916413.db2.gz DZQSZPYEEVLIKX-HUUCEWRRSA-N 2 2 295.496 3.470 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154141830 530057979 /nfs/dbraw/zinc/05/79/79/530057979.db2.gz QMVNQYMJJBKUEQ-AVVWSFFYSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154141830 530057980 /nfs/dbraw/zinc/05/79/80/530057980.db2.gz QMVNQYMJJBKUEQ-AVVWSFFYSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089605905 232180319 /nfs/dbraw/zinc/18/03/19/232180319.db2.gz HNSNDOGCNIGNAO-HOTGVXAUSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558925 232218262 /nfs/dbraw/zinc/21/82/62/232218262.db2.gz GVGVXLLPZZBFFR-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558925 232218264 /nfs/dbraw/zinc/21/82/64/232218264.db2.gz GVGVXLLPZZBFFR-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(C)c1 ZINC000090046580 345778710 /nfs/dbraw/zinc/77/87/10/345778710.db2.gz SCRSRMJLQPDGSE-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090117200 345784107 /nfs/dbraw/zinc/78/41/07/345784107.db2.gz DMGKNNPXEXUBMX-CVEARBPZSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092073129 345830407 /nfs/dbraw/zinc/83/04/07/345830407.db2.gz MKZMBDHOYHOGMH-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092073129 345830409 /nfs/dbraw/zinc/83/04/09/345830409.db2.gz MKZMBDHOYHOGMH-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865930 345890393 /nfs/dbraw/zinc/89/03/93/345890393.db2.gz JTTMVMAUEOAGOI-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865930 345890394 /nfs/dbraw/zinc/89/03/94/345890394.db2.gz JTTMVMAUEOAGOI-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP COc1ccsc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093659964 345884157 /nfs/dbraw/zinc/88/41/57/345884157.db2.gz XLALJMSVHIYITD-CYBMUJFWSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093659964 345884159 /nfs/dbraw/zinc/88/41/59/345884159.db2.gz XLALJMSVHIYITD-CYBMUJFWSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000093659964 345884161 /nfs/dbraw/zinc/88/41/61/345884161.db2.gz XLALJMSVHIYITD-CYBMUJFWSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000093659964 345884162 /nfs/dbraw/zinc/88/41/62/345884162.db2.gz XLALJMSVHIYITD-CYBMUJFWSA-N 2 2 282.453 3.063 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000187490185 346260921 /nfs/dbraw/zinc/26/09/21/346260921.db2.gz DWKMGCNNKBNEGW-OALUTQOASA-N 2 2 298.405 3.403 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000187490185 346260923 /nfs/dbraw/zinc/26/09/23/346260923.db2.gz DWKMGCNNKBNEGW-OALUTQOASA-N 2 2 298.405 3.403 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624017305 349948097 /nfs/dbraw/zinc/94/80/97/349948097.db2.gz WGLFKJZRMGEWTR-HIFRSBDPSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624017305 349948102 /nfs/dbraw/zinc/94/81/02/349948102.db2.gz WGLFKJZRMGEWTR-HIFRSBDPSA-N 2 2 293.480 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000221733831 346298422 /nfs/dbraw/zinc/29/84/22/346298422.db2.gz RZLDIZAENGXBST-DMDPSCGWSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000221733831 346298427 /nfs/dbraw/zinc/29/84/27/346298427.db2.gz RZLDIZAENGXBST-DMDPSCGWSA-N 2 2 268.351 3.098 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc43)cc2)c[nH+]1 ZINC000236577222 346341322 /nfs/dbraw/zinc/34/13/22/346341322.db2.gz UKZWFZMRCNGVHS-KRWDZBQOSA-N 2 2 289.382 3.302 20 0 CGADLP c1ccc(SCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250539734 346385923 /nfs/dbraw/zinc/38/59/23/346385923.db2.gz QWLBVIKFKJYXDJ-IAGOWNOFSA-N 2 2 290.476 3.385 20 0 CGADLP c1ccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250539734 346385926 /nfs/dbraw/zinc/38/59/26/346385926.db2.gz QWLBVIKFKJYXDJ-IAGOWNOFSA-N 2 2 290.476 3.385 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000584713392 346709181 /nfs/dbraw/zinc/70/91/81/346709181.db2.gz YBILLCABAQDYSO-STQMWFEESA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000584713392 346709184 /nfs/dbraw/zinc/70/91/84/346709184.db2.gz YBILLCABAQDYSO-STQMWFEESA-N 2 2 278.362 3.326 20 0 CGADLP CC[C@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000589639019 346804839 /nfs/dbraw/zinc/80/48/39/346804839.db2.gz NIUUKUQFSITWSO-QGZVFWFLSA-N 2 2 274.452 3.459 20 0 CGADLP CC[C@H](C[NH2+]CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000589639019 346804841 /nfs/dbraw/zinc/80/48/41/346804841.db2.gz NIUUKUQFSITWSO-QGZVFWFLSA-N 2 2 274.452 3.459 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCCF ZINC000351835022 219221138 /nfs/dbraw/zinc/22/11/38/219221138.db2.gz VXWMMELOAMCLGA-KRWDZBQOSA-N 2 2 280.431 3.482 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCCF ZINC000351835022 219221141 /nfs/dbraw/zinc/22/11/41/219221141.db2.gz VXWMMELOAMCLGA-KRWDZBQOSA-N 2 2 280.431 3.482 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862855 219230427 /nfs/dbraw/zinc/23/04/27/219230427.db2.gz RHHQIDTYHAZCPV-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862855 219230429 /nfs/dbraw/zinc/23/04/29/219230429.db2.gz RHHQIDTYHAZCPV-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1CCC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000357009745 232879651 /nfs/dbraw/zinc/87/96/51/232879651.db2.gz RIARBXDMVXLVAK-KBPBESRZSA-N 2 2 261.413 3.415 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000608259725 348296698 /nfs/dbraw/zinc/29/66/98/348296698.db2.gz RVQGVQJHKQCMLC-HXUWFJFHSA-N 2 2 294.442 3.402 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000608259725 348296703 /nfs/dbraw/zinc/29/67/03/348296703.db2.gz RVQGVQJHKQCMLC-HXUWFJFHSA-N 2 2 294.442 3.402 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000339471283 215195641 /nfs/dbraw/zinc/19/56/41/215195641.db2.gz XJVIYPRCOIURTI-GFJIZPEISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000339471283 215195644 /nfs/dbraw/zinc/19/56/44/215195644.db2.gz XJVIYPRCOIURTI-GFJIZPEISA-N 2 2 250.430 3.026 20 0 CGADLP CCSCc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000611476822 348455379 /nfs/dbraw/zinc/45/53/79/348455379.db2.gz MYNKWXRRECXJFZ-GXTWGEPZSA-N 2 2 279.453 3.229 20 0 CGADLP CCSCc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000611476822 348455381 /nfs/dbraw/zinc/45/53/81/348455381.db2.gz MYNKWXRRECXJFZ-GXTWGEPZSA-N 2 2 279.453 3.229 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000358712461 233181991 /nfs/dbraw/zinc/18/19/91/233181991.db2.gz IHHBBFZGOGEMNJ-HNNXBMFYSA-N 2 2 282.472 3.044 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)ccn1 ZINC000624313524 350024452 /nfs/dbraw/zinc/02/44/52/350024452.db2.gz OHVUBKWBPRWLCV-QGZVFWFLSA-N 2 2 299.462 3.216 20 0 CGADLP CCC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1cccnc1 ZINC000273488148 192171737 /nfs/dbraw/zinc/17/17/37/192171737.db2.gz NRIZJWXSYAQZFJ-KRWDZBQOSA-N 2 2 269.392 3.459 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000625139422 350132785 /nfs/dbraw/zinc/13/27/85/350132785.db2.gz DDFXCSUFDTUCIP-ZDUSSCGKSA-N 2 2 291.782 3.079 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435825 350170957 /nfs/dbraw/zinc/17/09/57/350170957.db2.gz XGVXTGWCWBDFRV-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435825 350170960 /nfs/dbraw/zinc/17/09/60/350170960.db2.gz XGVXTGWCWBDFRV-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178977 350278158 /nfs/dbraw/zinc/27/81/58/350278158.db2.gz QOHJBYYEWWEJDA-CYBMUJFWSA-N 2 2 294.389 3.418 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178977 350278161 /nfs/dbraw/zinc/27/81/61/350278161.db2.gz QOHJBYYEWWEJDA-CYBMUJFWSA-N 2 2 294.389 3.418 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628203565 350439305 /nfs/dbraw/zinc/43/93/05/350439305.db2.gz NHQZFVCSYDCHCN-KBPBESRZSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000628214087 350443773 /nfs/dbraw/zinc/44/37/73/350443773.db2.gz JWVAVELLCDDGQQ-LSDHHAIUSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000628214087 350443777 /nfs/dbraw/zinc/44/37/77/350443777.db2.gz JWVAVELLCDDGQQ-LSDHHAIUSA-N 2 2 260.425 3.171 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCS1 ZINC000628209307 350440039 /nfs/dbraw/zinc/44/00/39/350440039.db2.gz YOCJFWLUOMJPDP-INIZCTEOSA-N 2 2 287.432 3.248 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000628476324 350548182 /nfs/dbraw/zinc/54/81/82/350548182.db2.gz WBCFWBYBJORYNM-INIZCTEOSA-N 2 2 296.499 3.245 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000629525759 350702421 /nfs/dbraw/zinc/70/24/21/350702421.db2.gz AYZOPXQXLPZMOW-KGYLQXTDSA-N 2 2 264.438 3.028 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CCCO2 ZINC000629537734 350705914 /nfs/dbraw/zinc/70/59/14/350705914.db2.gz KRHGDKJUBLXOOD-HLLBOEOZSA-N 2 2 288.435 3.247 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1F ZINC000629536927 350706048 /nfs/dbraw/zinc/70/60/48/350706048.db2.gz KAZQNUCJOSWZHT-GMXABZIVSA-N 2 2 268.351 3.146 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC)cc1 ZINC000629540971 350707343 /nfs/dbraw/zinc/70/73/43/350707343.db2.gz ZEOPHYKWGPXWME-UNEWFSDZSA-N 2 2 276.424 3.267 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCC2)cc1 ZINC000629543920 350708447 /nfs/dbraw/zinc/70/84/47/350708447.db2.gz FTBVHPITUNTVRT-IAOVAPTHSA-N 2 2 258.409 3.176 20 0 CGADLP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000629544154 350709247 /nfs/dbraw/zinc/70/92/47/350709247.db2.gz HNCDNZIWPCKWCA-GXSJLCMTSA-N 2 2 292.370 3.387 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000629546611 350710315 /nfs/dbraw/zinc/71/03/15/350710315.db2.gz USEOMMGTVQGAHH-VQISRLSMSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000629548423 350710438 /nfs/dbraw/zinc/71/04/38/350710438.db2.gz OPWMGBLZWCAPIY-SUNYJGFJSA-N 2 2 281.403 3.150 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585224 350714941 /nfs/dbraw/zinc/71/49/41/350714941.db2.gz NREWWIKEMDESKF-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585224 350714944 /nfs/dbraw/zinc/71/49/44/350714944.db2.gz NREWWIKEMDESKF-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C[NH2+]1 ZINC000629393516 350687593 /nfs/dbraw/zinc/68/75/93/350687593.db2.gz BIRSLNMYGXSQNK-WCQYABFASA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)s2)C[NH2+]1 ZINC000629413627 350690861 /nfs/dbraw/zinc/69/08/61/350690861.db2.gz NHXJWLAFQTZGPO-RYUDHWBXSA-N 2 2 266.454 3.276 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000629509453 350699251 /nfs/dbraw/zinc/69/92/51/350699251.db2.gz MRBLIHJYOSPQMQ-KBXCAEBGSA-N 2 2 289.467 3.469 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000629509453 350699253 /nfs/dbraw/zinc/69/92/53/350699253.db2.gz MRBLIHJYOSPQMQ-KBXCAEBGSA-N 2 2 289.467 3.469 20 0 CGADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@@H]2CC[NH2+]C2)c1 ZINC000629710322 350748830 /nfs/dbraw/zinc/74/88/30/350748830.db2.gz QIITXWAALRIUKN-GOSISDBHSA-N 2 2 293.414 3.426 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000631034372 350932276 /nfs/dbraw/zinc/93/22/76/350932276.db2.gz KJRGGWZLYCESHH-SNAWJCMRSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000631044566 350935264 /nfs/dbraw/zinc/93/52/64/350935264.db2.gz ROOYWJLTCBQPMH-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP CC(C)c1nc2[nH]ccc2c(NCCCCn2cc[nH+]c2)[nH+]1 ZINC000631191792 350985732 /nfs/dbraw/zinc/98/57/32/350985732.db2.gz IIAZYCHCRFQAFI-UHFFFAOYSA-N 2 2 298.394 3.122 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC[NH+]1CCCC1 ZINC000631562450 351067137 /nfs/dbraw/zinc/06/71/37/351067137.db2.gz FQGVXZOVEUBJTR-HNNXBMFYSA-N 2 2 285.435 3.174 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CCC2 ZINC000631653712 351106847 /nfs/dbraw/zinc/10/68/47/351106847.db2.gz ZJSDFCVZUNDEGI-QFBILLFUSA-N 2 2 299.462 3.456 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CCC2 ZINC000631653712 351106851 /nfs/dbraw/zinc/10/68/51/351106851.db2.gz ZJSDFCVZUNDEGI-QFBILLFUSA-N 2 2 299.462 3.456 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000631602785 351087131 /nfs/dbraw/zinc/08/71/31/351087131.db2.gz OGQMQVGAYLBRJR-GOSISDBHSA-N 2 2 282.387 3.218 20 0 CGADLP FC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000631795888 351143633 /nfs/dbraw/zinc/14/36/33/351143633.db2.gz OTEZLZLKVCXWAY-KRWDZBQOSA-N 2 2 294.389 3.300 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1F ZINC000634684496 351570978 /nfs/dbraw/zinc/57/09/78/351570978.db2.gz RXMMHTAZEZOJKZ-INIZCTEOSA-N 2 2 293.361 3.228 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000634981413 351615496 /nfs/dbraw/zinc/61/54/96/351615496.db2.gz IIVGRPWFLCHOEO-QGZVFWFLSA-N 2 2 299.418 3.067 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000634981413 351615499 /nfs/dbraw/zinc/61/54/99/351615499.db2.gz IIVGRPWFLCHOEO-QGZVFWFLSA-N 2 2 299.418 3.067 20 0 CGADLP c1ccc(CCC[C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992854 351619300 /nfs/dbraw/zinc/61/93/00/351619300.db2.gz DCMPLWGMBSWMEL-XBMUEBEBSA-N 2 2 284.447 3.226 20 0 CGADLP c1ccc(CCC[C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992854 351619304 /nfs/dbraw/zinc/61/93/04/351619304.db2.gz DCMPLWGMBSWMEL-XBMUEBEBSA-N 2 2 284.447 3.226 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124312938 187131640 /nfs/dbraw/zinc/13/16/40/187131640.db2.gz GAQZEKQTGPVSMZ-CYBMUJFWSA-N 2 2 290.411 3.252 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124312938 187131641 /nfs/dbraw/zinc/13/16/41/187131641.db2.gz GAQZEKQTGPVSMZ-CYBMUJFWSA-N 2 2 290.411 3.252 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000123293223 187082984 /nfs/dbraw/zinc/08/29/84/187082984.db2.gz GFJVVEUACVIENN-ZDUSSCGKSA-N 2 2 270.376 3.068 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000123293223 187082985 /nfs/dbraw/zinc/08/29/85/187082985.db2.gz GFJVVEUACVIENN-ZDUSSCGKSA-N 2 2 270.376 3.068 20 0 CGADLP CCC[N@H+](Cc1c(C)oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000123579154 187099410 /nfs/dbraw/zinc/09/94/10/187099410.db2.gz JSOKQTBWQLUCHA-AWEZNQCLSA-N 2 2 272.392 3.315 20 0 CGADLP CCC[N@@H+](Cc1c(C)oc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000123579154 187099411 /nfs/dbraw/zinc/09/94/11/187099411.db2.gz JSOKQTBWQLUCHA-AWEZNQCLSA-N 2 2 272.392 3.315 20 0 CGADLP Clc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000336471714 213340321 /nfs/dbraw/zinc/34/03/21/213340321.db2.gz ZUGJXNHFKFVDJP-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000336467549 213335485 /nfs/dbraw/zinc/33/54/85/213335485.db2.gz ZUROSKKJMPFKTA-UHFFFAOYSA-N 2 2 278.783 3.270 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162890 198188051 /nfs/dbraw/zinc/18/80/51/198188051.db2.gz OTMAWKZKHQFTFK-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162890 198188052 /nfs/dbraw/zinc/18/80/52/198188052.db2.gz OTMAWKZKHQFTFK-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162890 198188054 /nfs/dbraw/zinc/18/80/54/198188054.db2.gz OTMAWKZKHQFTFK-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292162890 198188055 /nfs/dbraw/zinc/18/80/55/198188055.db2.gz OTMAWKZKHQFTFK-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000359632735 295850630 /nfs/dbraw/zinc/85/06/30/295850630.db2.gz BDKVMYRPDXBALY-RYUDHWBXSA-N 2 2 298.418 3.134 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000367599868 234231074 /nfs/dbraw/zinc/23/10/74/234231074.db2.gz IGZKRPWWCFKDRD-OLZOCXBDSA-N 2 2 295.390 3.316 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368101458 234280526 /nfs/dbraw/zinc/28/05/26/234280526.db2.gz KJBPFISKTIWDLM-ZBFHGGJFSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368101458 234280528 /nfs/dbraw/zinc/28/05/28/234280528.db2.gz KJBPFISKTIWDLM-ZBFHGGJFSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)c[nH+]c12 ZINC000368131017 234286272 /nfs/dbraw/zinc/28/62/72/234286272.db2.gz ILOCALFKEGAOMT-FGTMMUONSA-N 2 2 289.382 3.071 20 0 CGADLP c1cn(-c2ccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000152744939 188040626 /nfs/dbraw/zinc/04/06/26/188040626.db2.gz HOQLGXDBSNZOEH-HZPDHXFCSA-N 2 2 267.376 3.104 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C(C2CC2)C2CC2)c[nH+]1 ZINC000152226218 188003856 /nfs/dbraw/zinc/00/38/56/188003856.db2.gz XYSGNSXLGPOZIJ-UHFFFAOYSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccn1C)c1ccccc1 ZINC000152241418 188004698 /nfs/dbraw/zinc/00/46/98/188004698.db2.gz NXUKFXGHCYUABL-HNNXBMFYSA-N 2 2 285.435 3.244 20 0 CGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000153742724 188101064 /nfs/dbraw/zinc/10/10/64/188101064.db2.gz LWLDKHUKOYUXFN-LLVKDONJSA-N 2 2 290.860 3.020 20 0 CGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000153742724 188101065 /nfs/dbraw/zinc/10/10/65/188101065.db2.gz LWLDKHUKOYUXFN-LLVKDONJSA-N 2 2 290.860 3.020 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654402 188155913 /nfs/dbraw/zinc/15/59/13/188155913.db2.gz JZGPUKPWEYOPOK-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654402 188155914 /nfs/dbraw/zinc/15/59/14/188155914.db2.gz JZGPUKPWEYOPOK-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000154554948 188149884 /nfs/dbraw/zinc/14/98/84/188149884.db2.gz MVGHVRUWPPODSW-AAEUAGOBSA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000154554948 188149885 /nfs/dbraw/zinc/14/98/85/188149885.db2.gz MVGHVRUWPPODSW-AAEUAGOBSA-N 2 2 282.428 3.292 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000156090940 188242032 /nfs/dbraw/zinc/24/20/32/188242032.db2.gz OEEWWWUQVSAMKZ-OAHLLOKOSA-N 2 2 298.434 3.407 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000156090940 188242034 /nfs/dbraw/zinc/24/20/34/188242034.db2.gz OEEWWWUQVSAMKZ-OAHLLOKOSA-N 2 2 298.434 3.407 20 0 CGADLP Cn1c[nH+]cc1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000156491710 188265243 /nfs/dbraw/zinc/26/52/43/188265243.db2.gz LILAOGJQRQZRNI-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000271685015 191276002 /nfs/dbraw/zinc/27/60/02/191276002.db2.gz CTDWHTOBASFUIH-JTQLQIEISA-N 2 2 281.762 3.335 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427884568 283006889 /nfs/dbraw/zinc/00/68/89/283006889.db2.gz GUBKBXXNKMZWEW-GDBMZVCRSA-N 2 2 285.366 3.004 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321167 235047825 /nfs/dbraw/zinc/04/78/25/235047825.db2.gz HKBLCPTWIXYRBW-BZSNNMDCSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321167 235047827 /nfs/dbraw/zinc/04/78/27/235047827.db2.gz HKBLCPTWIXYRBW-BZSNNMDCSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000411171999 235034058 /nfs/dbraw/zinc/03/40/58/235034058.db2.gz GTZNUFDCAAJRSI-ZWKOTPCHSA-N 2 2 288.410 3.242 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1C(F)(F)F ZINC000414292818 235381194 /nfs/dbraw/zinc/38/11/94/235381194.db2.gz AWZZLFPCYIUVBS-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1C(F)(F)F ZINC000414292818 235381196 /nfs/dbraw/zinc/38/11/96/235381196.db2.gz AWZZLFPCYIUVBS-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1(C)C ZINC000273550735 192199174 /nfs/dbraw/zinc/19/91/74/192199174.db2.gz AUYXHIQEFQVUAG-AWEZNQCLSA-N 2 2 284.407 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1(C)C ZINC000273550735 192199175 /nfs/dbraw/zinc/19/91/75/192199175.db2.gz AUYXHIQEFQVUAG-AWEZNQCLSA-N 2 2 284.407 3.135 20 0 CGADLP CCC(CC)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000106480023 138354921 /nfs/dbraw/zinc/35/49/21/138354921.db2.gz VWCKVTJCCCCLSB-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)s1 ZINC000124711703 138377362 /nfs/dbraw/zinc/37/73/62/138377362.db2.gz PGAXSZSQDQTERD-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Cl)s1 ZINC000124711703 138377364 /nfs/dbraw/zinc/37/73/64/138377364.db2.gz PGAXSZSQDQTERD-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Cl)s1 ZINC000124711703 138377365 /nfs/dbraw/zinc/37/73/65/138377365.db2.gz PGAXSZSQDQTERD-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Cl)s1 ZINC000124711703 138377366 /nfs/dbraw/zinc/37/73/66/138377366.db2.gz PGAXSZSQDQTERD-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125102866 138379956 /nfs/dbraw/zinc/37/99/56/138379956.db2.gz OCVRFRWRZRMLNE-CHWSQXEVSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125102866 138379957 /nfs/dbraw/zinc/37/99/57/138379957.db2.gz OCVRFRWRZRMLNE-CHWSQXEVSA-N 2 2 282.790 3.196 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000482220274 535358758 /nfs/dbraw/zinc/35/87/58/535358758.db2.gz MYGFYSPKJXGVQX-MSOLQXFVSA-N 2 2 296.499 3.459 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423233590 236003987 /nfs/dbraw/zinc/00/39/87/236003987.db2.gz DTSBVXDGYLNVRC-SJORKVTESA-N 2 2 282.387 3.059 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423234004 236004711 /nfs/dbraw/zinc/00/47/11/236004711.db2.gz FHGBUZOZFIUBIM-MEDUHNTESA-N 2 2 276.330 3.315 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247654 236008252 /nfs/dbraw/zinc/00/82/52/236008252.db2.gz QQLPEESMTMOEDB-YOEHRIQHSA-N 2 2 254.377 3.346 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc2cc1C ZINC000423312102 236034752 /nfs/dbraw/zinc/03/47/52/236034752.db2.gz CSULTYDATTZVGQ-IUODEOHRSA-N 2 2 272.392 3.438 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]1 ZINC000423384795 236059149 /nfs/dbraw/zinc/05/91/49/236059149.db2.gz QNDYFDWWJIFWHR-QBIMZIAESA-N 2 2 299.393 3.040 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)s1 ZINC000423561138 236098750 /nfs/dbraw/zinc/09/87/50/236098750.db2.gz PVKKZKKPWOOKDJ-AAEUAGOBSA-N 2 2 252.427 3.158 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(F)c1 ZINC000424154370 236125591 /nfs/dbraw/zinc/12/55/91/236125591.db2.gz LQGWPLXWPMNLLM-CQSZACIVSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1 ZINC000424154370 236125592 /nfs/dbraw/zinc/12/55/92/236125592.db2.gz LQGWPLXWPMNLLM-CQSZACIVSA-N 2 2 296.405 3.483 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424377509 236159113 /nfs/dbraw/zinc/15/91/13/236159113.db2.gz RHRMIZPORNKEOD-BPLDGKMQSA-N 2 2 262.397 3.006 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c(Cl)c1 ZINC000424265495 236137705 /nfs/dbraw/zinc/13/77/05/236137705.db2.gz VSQCDCVYCCWEEX-LBPRGKRZSA-N 2 2 293.798 3.286 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)c1 ZINC000425342796 236233085 /nfs/dbraw/zinc/23/30/85/236233085.db2.gz ZZLCMIZHHKIRQP-DYVFJYSZSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)c1 ZINC000425342796 236233086 /nfs/dbraw/zinc/23/30/86/236233086.db2.gz ZZLCMIZHHKIRQP-DYVFJYSZSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342796 236233088 /nfs/dbraw/zinc/23/30/88/236233088.db2.gz ZZLCMIZHHKIRQP-DYVFJYSZSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342796 236233090 /nfs/dbraw/zinc/23/30/90/236233090.db2.gz ZZLCMIZHHKIRQP-DYVFJYSZSA-N 2 2 294.389 3.189 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000261607238 138558947 /nfs/dbraw/zinc/55/89/47/138558947.db2.gz RONYWNYBOJCDNO-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000261607238 138558948 /nfs/dbraw/zinc/55/89/48/138558948.db2.gz RONYWNYBOJCDNO-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000426492619 236299189 /nfs/dbraw/zinc/29/91/89/236299189.db2.gz SYZHBQMDMZKPFW-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000426492619 236299191 /nfs/dbraw/zinc/29/91/91/236299191.db2.gz SYZHBQMDMZKPFW-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000427875934 236352351 /nfs/dbraw/zinc/35/23/51/236352351.db2.gz LLVZTYHQZPKKQC-DOTOQJQBSA-N 2 2 281.403 3.255 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+]1CCOCC1 ZINC000449163620 295972854 /nfs/dbraw/zinc/97/28/54/295972854.db2.gz MZVIYOAIRZIMQY-DLBZAZTESA-N 2 2 294.483 3.047 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCCCCOc2ccccc2)CCC[N@@H+]1C ZINC000437773353 237343306 /nfs/dbraw/zinc/34/33/06/237343306.db2.gz JDQJERYHSLXMRM-WMZOPIPTSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCCCCOc2ccccc2)CCC[N@H+]1C ZINC000437773353 237343316 /nfs/dbraw/zinc/34/33/16/237343316.db2.gz JDQJERYHSLXMRM-WMZOPIPTSA-N 2 2 290.451 3.308 20 0 CGADLP CCc1ccc([C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297329945 200150473 /nfs/dbraw/zinc/15/04/73/200150473.db2.gz CSTCUIBCTPZJFO-GOSISDBHSA-N 2 2 297.446 3.405 20 0 CGADLP CCc1ccc([C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297329945 200150475 /nfs/dbraw/zinc/15/04/75/200150475.db2.gz CSTCUIBCTPZJFO-GOSISDBHSA-N 2 2 297.446 3.405 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]CCCCCOc1ccccc1)CC2 ZINC000437987268 237398815 /nfs/dbraw/zinc/39/88/15/237398815.db2.gz PBVIBVYNCDOLIE-MRXNPFEDSA-N 2 2 299.418 3.037 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297593267 200235441 /nfs/dbraw/zinc/23/54/41/200235441.db2.gz SZGMOPWHKKOUQV-ZWKOTPCHSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297593267 200235442 /nfs/dbraw/zinc/23/54/42/200235442.db2.gz SZGMOPWHKKOUQV-ZWKOTPCHSA-N 2 2 283.419 3.231 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000297865932 200295207 /nfs/dbraw/zinc/29/52/07/200295207.db2.gz PLXLUURVKKQCEC-KRWDZBQOSA-N 2 2 285.435 3.306 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000297865932 200295208 /nfs/dbraw/zinc/29/52/08/200295208.db2.gz PLXLUURVKKQCEC-KRWDZBQOSA-N 2 2 285.435 3.306 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177118903 189030233 /nfs/dbraw/zinc/03/02/33/189030233.db2.gz VKADLYZXASEXAS-OKILXGFUSA-N 2 2 270.380 3.030 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177118903 189030234 /nfs/dbraw/zinc/03/02/34/189030234.db2.gz VKADLYZXASEXAS-OKILXGFUSA-N 2 2 270.380 3.030 20 0 CGADLP C[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190619 189035813 /nfs/dbraw/zinc/03/58/13/189035813.db2.gz LFIKERJQEYKFAZ-UAGQMJEPSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190619 189035814 /nfs/dbraw/zinc/03/58/14/189035814.db2.gz LFIKERJQEYKFAZ-UAGQMJEPSA-N 2 2 296.418 3.420 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000341980710 216177746 /nfs/dbraw/zinc/17/77/46/216177746.db2.gz QZKPXNHHCMEVPO-GOEBONIOSA-N 2 2 278.465 3.083 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc4cc[nH]c43)n2c1 ZINC000342278875 216289382 /nfs/dbraw/zinc/28/93/82/216289382.db2.gz GVOBXLKGRQLADE-UHFFFAOYSA-N 2 2 290.370 3.414 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000537647621 376189742 /nfs/dbraw/zinc/18/97/42/376189742.db2.gz QOLMLRRLWDWSQQ-NPCUJANDSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000537647621 376189753 /nfs/dbraw/zinc/18/97/53/376189753.db2.gz QOLMLRRLWDWSQQ-NPCUJANDSA-N 2 2 264.457 3.416 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000181599894 189302058 /nfs/dbraw/zinc/30/20/58/189302058.db2.gz MXSBOWRHGUBNQN-DGCLKSJQSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000181599894 189302059 /nfs/dbraw/zinc/30/20/59/189302059.db2.gz MXSBOWRHGUBNQN-DGCLKSJQSA-N 2 2 268.351 3.100 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000119644948 370694339 /nfs/dbraw/zinc/69/43/39/370694339.db2.gz WXSIJKMYNSXXKC-NSHDSACASA-N 2 2 293.480 3.291 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000182595131 189328713 /nfs/dbraw/zinc/32/87/13/189328713.db2.gz VVPRDRVDTNKPKN-FVQBIDKESA-N 2 2 261.413 3.101 20 0 CGADLP c1ccc(NCCCCNc2[nH]c3ccccc3[nH+]2)[nH+]c1 ZINC000301885171 201247187 /nfs/dbraw/zinc/24/71/87/201247187.db2.gz OKUMTGISDNRNJN-UHFFFAOYSA-N 2 2 281.363 3.262 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449071856 239158845 /nfs/dbraw/zinc/15/88/45/239158845.db2.gz CCYIGVJUBBLFSU-UONOGXRCSA-N 2 2 283.375 3.239 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000449135706 239199167 /nfs/dbraw/zinc/19/91/67/239199167.db2.gz RALJYGNHHNOGKG-RBSFLKMASA-N 2 2 264.413 3.063 20 0 CGADLP FC1(F)CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000335663991 212381810 /nfs/dbraw/zinc/38/18/10/212381810.db2.gz YZFRICFNTZUOLC-LBPRGKRZSA-N 2 2 283.366 3.415 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335655602 212373378 /nfs/dbraw/zinc/37/33/78/212373378.db2.gz ZFEULXFTGJWWNR-FUNVUKJBSA-N 2 2 285.218 3.366 20 0 CGADLP c1ccc([C@H]2CC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000275493628 193057716 /nfs/dbraw/zinc/05/77/16/193057716.db2.gz LIGOYVYAOPVXIG-DLBZAZTESA-N 2 2 258.409 3.008 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]C[C@H]3CC=CCC3)[nH]c2c1 ZINC000120867495 370809086 /nfs/dbraw/zinc/80/90/86/370809086.db2.gz VLGZXBKEPDSFEF-AWEZNQCLSA-N 2 2 269.392 3.441 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275624843 193088826 /nfs/dbraw/zinc/08/88/26/193088826.db2.gz INDCQPAYQBSMPC-PVAVHDDUSA-N 2 2 269.392 3.198 20 0 CGADLP CCC1(C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000459639424 242160144 /nfs/dbraw/zinc/16/01/44/242160144.db2.gz VOSSXDPBKRTERA-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H](C)C1CCCCC1 ZINC000459660359 242167749 /nfs/dbraw/zinc/16/77/49/242167749.db2.gz LFWQENPPNLKLEK-KGLIPLIRSA-N 2 2 263.429 3.157 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C[N@@H+]1C1CC1 ZINC000121701613 370887181 /nfs/dbraw/zinc/88/71/81/370887181.db2.gz BWIYSIXRSHTRAD-OCCSQVGLSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C[N@H+]1C1CC1 ZINC000121701613 370887186 /nfs/dbraw/zinc/88/71/86/370887186.db2.gz BWIYSIXRSHTRAD-OCCSQVGLSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1nccc2ccccc21 ZINC000335496865 212176851 /nfs/dbraw/zinc/17/68/51/212176851.db2.gz SUFJGKPXTZKGRQ-HIFRSBDPSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000488365892 243544031 /nfs/dbraw/zinc/54/40/31/243544031.db2.gz JUNDRXXMZBDLGO-RDBSUJKOSA-N 2 2 264.438 3.131 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C(C)C)s2)CC1 ZINC000125203891 370932689 /nfs/dbraw/zinc/93/26/89/370932689.db2.gz OUFRMXYNOLHRBK-UHFFFAOYSA-N 2 2 281.469 3.183 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C(C)C)s2)CC1 ZINC000125203891 370932693 /nfs/dbraw/zinc/93/26/93/370932693.db2.gz OUFRMXYNOLHRBK-UHFFFAOYSA-N 2 2 281.469 3.183 20 0 CGADLP c1ccc([C@H](C[NH2+]C2CCCC2)[NH+]2CCCC2)cc1 ZINC000020096436 368802418 /nfs/dbraw/zinc/80/24/18/368802418.db2.gz INCXVCHRHBRGCD-KRWDZBQOSA-N 2 2 258.409 3.356 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000019960328 368790441 /nfs/dbraw/zinc/79/04/41/368790441.db2.gz ZGDAHBUDYLRYAN-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000019960328 368790447 /nfs/dbraw/zinc/79/04/47/368790447.db2.gz ZGDAHBUDYLRYAN-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000028962924 368890602 /nfs/dbraw/zinc/89/06/02/368890602.db2.gz XJYLZLHTPACMIL-UHFFFAOYSA-N 2 2 272.436 3.445 20 0 in-vivo CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996973 369048940 /nfs/dbraw/zinc/04/89/40/369048940.db2.gz QXHIAKIVLZHVSM-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996973 369048944 /nfs/dbraw/zinc/04/89/44/369048944.db2.gz QXHIAKIVLZHVSM-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034992507 368986424 /nfs/dbraw/zinc/98/64/24/368986424.db2.gz DVIKDXRFTNSIOH-IBGZPJMESA-N 2 2 280.415 3.359 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034992507 368986431 /nfs/dbraw/zinc/98/64/31/368986431.db2.gz DVIKDXRFTNSIOH-IBGZPJMESA-N 2 2 280.415 3.359 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC ZINC000037249243 369078916 /nfs/dbraw/zinc/07/89/16/369078916.db2.gz QZPCCETUGWNUJI-HNNXBMFYSA-N 2 2 273.380 3.023 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC ZINC000037292584 369079539 /nfs/dbraw/zinc/07/95/39/369079539.db2.gz AGSATQVYNNLVHQ-YESZJQIVSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC ZINC000037292584 369079544 /nfs/dbraw/zinc/07/95/44/369079544.db2.gz AGSATQVYNNLVHQ-YESZJQIVSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)OCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325881 369082143 /nfs/dbraw/zinc/08/21/43/369082143.db2.gz YZEDBYNIPGNAIE-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)OCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325881 369082149 /nfs/dbraw/zinc/08/21/49/369082149.db2.gz YZEDBYNIPGNAIE-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684057 369265795 /nfs/dbraw/zinc/26/57/95/369265795.db2.gz RNIFIJNKWWRTOM-CRAIPNDOSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684057 369265802 /nfs/dbraw/zinc/26/58/02/369265802.db2.gz RNIFIJNKWWRTOM-CRAIPNDOSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666482 244309304 /nfs/dbraw/zinc/30/93/04/244309304.db2.gz PVKRMSLIIVJWPV-BDJLRTHQSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666482 244309308 /nfs/dbraw/zinc/30/93/08/244309308.db2.gz PVKRMSLIIVJWPV-BDJLRTHQSA-N 2 2 296.817 3.094 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccco1 ZINC000061014759 369595574 /nfs/dbraw/zinc/59/55/74/369595574.db2.gz YTAALWNSJODZEX-UHFFFAOYSA-N 2 2 269.348 3.118 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC000072858354 369841855 /nfs/dbraw/zinc/84/18/55/369841855.db2.gz RBIVQWZIPFRLSX-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC000072858354 369841859 /nfs/dbraw/zinc/84/18/59/369841859.db2.gz RBIVQWZIPFRLSX-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000072858354 369841865 /nfs/dbraw/zinc/84/18/65/369841865.db2.gz RBIVQWZIPFRLSX-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000072858354 369841869 /nfs/dbraw/zinc/84/18/69/369841869.db2.gz RBIVQWZIPFRLSX-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cnc2ccsc2c1 ZINC000085433207 370017923 /nfs/dbraw/zinc/01/79/23/370017923.db2.gz CRQXGEJNTYNIRX-GFCCVEGCSA-N 2 2 275.421 3.043 20 0 CGADLP CCSCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000080554858 369990962 /nfs/dbraw/zinc/99/09/62/369990962.db2.gz TZGPAJSEVHARRZ-AWEZNQCLSA-N 2 2 289.448 3.494 20 0 CGADLP C[N@H+](Cc1nc(C(C)(C)C)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094969975 370170114 /nfs/dbraw/zinc/17/01/14/370170114.db2.gz FPKSRHSRHOSGBH-FUNVUKJBSA-N 2 2 293.480 3.155 20 0 CGADLP C[N@@H+](Cc1nc(C(C)(C)C)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094969975 370170120 /nfs/dbraw/zinc/17/01/20/370170120.db2.gz FPKSRHSRHOSGBH-FUNVUKJBSA-N 2 2 293.480 3.155 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1nccs1 ZINC000093404872 370123404 /nfs/dbraw/zinc/12/34/04/370123404.db2.gz APXUTRQECHEFKN-ZDUSSCGKSA-N 2 2 269.458 3.306 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1nccs1 ZINC000093401392 370123632 /nfs/dbraw/zinc/12/36/32/370123632.db2.gz KCLCNDUARMNAND-LLVKDONJSA-N 2 2 286.404 3.303 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597685 370144211 /nfs/dbraw/zinc/14/42/11/370144211.db2.gz IUPNONDFRPRXNZ-UXLLHSPISA-N 2 2 288.435 3.321 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597685 370144216 /nfs/dbraw/zinc/14/42/16/370144216.db2.gz IUPNONDFRPRXNZ-UXLLHSPISA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597691 370145435 /nfs/dbraw/zinc/14/54/35/370145435.db2.gz IUPNONDFRPRXNZ-BFYDXBDKSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597691 370145439 /nfs/dbraw/zinc/14/54/39/370145439.db2.gz IUPNONDFRPRXNZ-BFYDXBDKSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000093644707 370152507 /nfs/dbraw/zinc/15/25/07/370152507.db2.gz PWHSTAMEZUBBHA-CHWSQXEVSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000093644707 370152512 /nfs/dbraw/zinc/15/25/12/370152512.db2.gz PWHSTAMEZUBBHA-CHWSQXEVSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644707 370152516 /nfs/dbraw/zinc/15/25/16/370152516.db2.gz PWHSTAMEZUBBHA-CHWSQXEVSA-N 2 2 295.496 3.355 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC[NH+]1C ZINC000093644707 370152518 /nfs/dbraw/zinc/15/25/18/370152518.db2.gz PWHSTAMEZUBBHA-CHWSQXEVSA-N 2 2 295.496 3.355 20 0 CGADLP CCC(CC)[C@H](CNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000110127279 370369942 /nfs/dbraw/zinc/36/99/42/370369942.db2.gz VOMWYUOKRBLGNX-AWEZNQCLSA-N 2 2 276.428 3.132 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)CC1 ZINC000277310992 193617198 /nfs/dbraw/zinc/61/71/98/193617198.db2.gz USCUPXHEIXNXPD-GFCCVEGCSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC000277310992 193617200 /nfs/dbraw/zinc/61/72/00/193617200.db2.gz USCUPXHEIXNXPD-GFCCVEGCSA-N 2 2 284.806 3.395 20 0 CGADLP Clc1cccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000130699357 371054000 /nfs/dbraw/zinc/05/40/00/371054000.db2.gz KVCKAYYSGGNHSD-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1cccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000130699357 371054005 /nfs/dbraw/zinc/05/40/05/371054005.db2.gz KVCKAYYSGGNHSD-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131189777 371089870 /nfs/dbraw/zinc/08/98/70/371089870.db2.gz TZSIXYRBQINGQC-LBPRGKRZSA-N 2 2 263.772 3.230 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131189777 371089872 /nfs/dbraw/zinc/08/98/72/371089872.db2.gz TZSIXYRBQINGQC-LBPRGKRZSA-N 2 2 263.772 3.230 20 0 CGADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000131836714 371133436 /nfs/dbraw/zinc/13/34/36/371133436.db2.gz VKMTZHMOGQWNTA-OAHLLOKOSA-N 2 2 257.381 3.260 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@H]2CCCc2ccccc2)c[nH+]1 ZINC000131760504 371128146 /nfs/dbraw/zinc/12/81/46/371128146.db2.gz RDANLCPWMNGVFY-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c[nH+]1 ZINC000131760504 371128151 /nfs/dbraw/zinc/12/81/51/371128151.db2.gz RDANLCPWMNGVFY-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP CC(C)[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132149250 371155162 /nfs/dbraw/zinc/15/51/62/371155162.db2.gz FCFHAVNKDBJANW-HNNXBMFYSA-N 2 2 271.408 3.108 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000132634245 371190028 /nfs/dbraw/zinc/19/00/28/371190028.db2.gz QQVSZOLEFXFRRN-GZBFAFLISA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000132634245 371190032 /nfs/dbraw/zinc/19/00/32/371190032.db2.gz QQVSZOLEFXFRRN-GZBFAFLISA-N 2 2 276.399 3.410 20 0 CGADLP COc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000132509335 371180381 /nfs/dbraw/zinc/18/03/81/371180381.db2.gz SADFJHMDYRAHLF-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000132509335 371180385 /nfs/dbraw/zinc/18/03/85/371180385.db2.gz SADFJHMDYRAHLF-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000132509335 371180390 /nfs/dbraw/zinc/18/03/90/371180390.db2.gz SADFJHMDYRAHLF-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000132509335 371180394 /nfs/dbraw/zinc/18/03/94/371180394.db2.gz SADFJHMDYRAHLF-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000133604825 371265024 /nfs/dbraw/zinc/26/50/24/371265024.db2.gz OCULIQHSPQBYSD-WQVCFCJDSA-N 2 2 296.842 3.148 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135111980 371391498 /nfs/dbraw/zinc/39/14/98/371391498.db2.gz WIQRVSAZYOHVOY-MELADBBJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135111980 371391500 /nfs/dbraw/zinc/39/15/00/371391500.db2.gz WIQRVSAZYOHVOY-MELADBBJSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)C2)n1-c1ccccc1 ZINC000135286223 371410812 /nfs/dbraw/zinc/41/08/12/371410812.db2.gz DLHMSLMWKBTKMP-UKRRQHHQSA-N 2 2 269.392 3.459 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(C)ccc1OC ZINC000537885573 376206941 /nfs/dbraw/zinc/20/69/41/376206941.db2.gz KQWGZOFWHZDONA-DOTOQJQBSA-N 2 2 290.451 3.386 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(C)ccc1OC ZINC000537885573 376206947 /nfs/dbraw/zinc/20/69/47/376206947.db2.gz KQWGZOFWHZDONA-DOTOQJQBSA-N 2 2 290.451 3.386 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000136481347 371477927 /nfs/dbraw/zinc/47/79/27/371477927.db2.gz UXLUINNIPCVLHT-LPHOPBHVSA-N 2 2 297.446 3.025 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000136481347 371477935 /nfs/dbraw/zinc/47/79/35/371477935.db2.gz UXLUINNIPCVLHT-LPHOPBHVSA-N 2 2 297.446 3.025 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000149729163 371529526 /nfs/dbraw/zinc/52/95/26/371529526.db2.gz DFOCHMMOMBWCHS-LBPRGKRZSA-N 2 2 277.437 3.420 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000149792241 371531322 /nfs/dbraw/zinc/53/13/22/371531322.db2.gz HRGMYGPSIGXYOK-OAHLLOKOSA-N 2 2 273.424 3.219 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151307555 371590366 /nfs/dbraw/zinc/59/03/66/371590366.db2.gz XZRIWWIFOUKVRO-HUUCEWRRSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1Cl ZINC000421853700 371676063 /nfs/dbraw/zinc/67/60/63/371676063.db2.gz JNFVKPAMUAQPEU-WODVXLOZSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1Cl ZINC000421853700 371676067 /nfs/dbraw/zinc/67/60/67/371676067.db2.gz JNFVKPAMUAQPEU-WODVXLOZSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(C)(C)[NH+](C)C ZINC000421805873 371637736 /nfs/dbraw/zinc/63/77/36/371637736.db2.gz YBCVMKFKULRMJU-LLVKDONJSA-N 2 2 286.822 3.340 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000151958344 371657743 /nfs/dbraw/zinc/65/77/43/371657743.db2.gz PFQNJYHYVKCZTB-SNVBAGLBSA-N 2 2 290.329 3.029 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000153212304 371756961 /nfs/dbraw/zinc/75/69/61/371756961.db2.gz WSPNXJGUGVTBRL-DZKIICNBSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000153212304 371756969 /nfs/dbraw/zinc/75/69/69/371756969.db2.gz WSPNXJGUGVTBRL-DZKIICNBSA-N 2 2 258.409 3.227 20 0 CGADLP Fc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422709589 371762089 /nfs/dbraw/zinc/76/20/89/371762089.db2.gz ZKIMVAQZMFXWFV-MSOLQXFVSA-N 2 2 284.378 3.061 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422745120 371780530 /nfs/dbraw/zinc/78/05/30/371780530.db2.gz LPOUQNMWQPROSO-XHSDSOJGSA-N 2 2 284.488 3.194 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422792669 371810728 /nfs/dbraw/zinc/81/07/28/371810728.db2.gz RINZUXTZTBJOOA-HZPDHXFCSA-N 2 2 285.391 3.091 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422805024 371820935 /nfs/dbraw/zinc/82/09/35/371820935.db2.gz LKJAEOGJFLMEJC-NTZNESFSSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422813125 371824217 /nfs/dbraw/zinc/82/42/17/371824217.db2.gz XMTIKWVRJONWMP-KXBFYZLASA-N 2 2 295.430 3.369 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880650 371850919 /nfs/dbraw/zinc/85/09/19/371850919.db2.gz XJAXWBXQZRCUQA-UVBJJODRSA-N 2 2 282.378 3.392 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422882597 371851656 /nfs/dbraw/zinc/85/16/56/371851656.db2.gz AZNZBUZWXLDPKB-ZIAGYGMSSA-N 2 2 282.815 3.098 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000154540115 371855675 /nfs/dbraw/zinc/85/56/75/371855675.db2.gz ZGJJHWNWTAYAJC-STQMWFEESA-N 2 2 298.377 3.341 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000154540115 371855684 /nfs/dbraw/zinc/85/56/84/371855684.db2.gz ZGJJHWNWTAYAJC-STQMWFEESA-N 2 2 298.377 3.341 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422887008 371855672 /nfs/dbraw/zinc/85/56/72/371855672.db2.gz ALNMTBPWAWPJJC-HZSPNIEDSA-N 2 2 293.480 3.277 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422936960 371879569 /nfs/dbraw/zinc/87/95/69/371879569.db2.gz NIYGCSICDJLDSZ-ZWKOTPCHSA-N 2 2 296.414 3.235 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000422946944 371886991 /nfs/dbraw/zinc/88/69/91/371886991.db2.gz XJJNPELYEYEVHV-CVEARBPZSA-N 2 2 286.350 3.069 20 0 CGADLP COc1cccc(C2([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422960585 371892916 /nfs/dbraw/zinc/89/29/16/371892916.db2.gz WWZNDJZDYIZSBJ-ZWKOTPCHSA-N 2 2 294.398 3.419 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423014412 371916786 /nfs/dbraw/zinc/91/67/86/371916786.db2.gz IMILAXSPFOJVFQ-IGNZVWTISA-N 2 2 281.403 3.439 20 0 CGADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423020552 371919074 /nfs/dbraw/zinc/91/90/74/371919074.db2.gz BYJBEJJOAATELJ-AHIWAGSCSA-N 2 2 287.382 3.026 20 0 CGADLP Cc1ccc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000423034336 371926354 /nfs/dbraw/zinc/92/63/54/371926354.db2.gz XKWWZQAFNKRKIZ-FUHWJXTLSA-N 2 2 295.386 3.058 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381868 371976248 /nfs/dbraw/zinc/97/62/48/371976248.db2.gz IDYLMWVODHUQCR-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381868 371976256 /nfs/dbraw/zinc/97/62/56/371976256.db2.gz IDYLMWVODHUQCR-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1F ZINC000290381868 371976261 /nfs/dbraw/zinc/97/62/61/371976261.db2.gz IDYLMWVODHUQCR-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000290381868 371976268 /nfs/dbraw/zinc/97/62/68/371976268.db2.gz IDYLMWVODHUQCR-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290411522 371984518 /nfs/dbraw/zinc/98/45/18/371984518.db2.gz KBVWFBVBHOIMSP-HNNXBMFYSA-N 2 2 287.407 3.017 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290411522 371984522 /nfs/dbraw/zinc/98/45/22/371984522.db2.gz KBVWFBVBHOIMSP-HNNXBMFYSA-N 2 2 287.407 3.017 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000156589625 371986894 /nfs/dbraw/zinc/98/68/94/371986894.db2.gz QECSQAHEZQOFBQ-DOTOQJQBSA-N 2 2 290.476 3.091 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000156589625 371986904 /nfs/dbraw/zinc/98/69/04/371986904.db2.gz QECSQAHEZQOFBQ-DOTOQJQBSA-N 2 2 290.476 3.091 20 0 CGADLP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000423152319 371994138 /nfs/dbraw/zinc/99/41/38/371994138.db2.gz FNTDXUQDWUGQIO-WBAXXEDZSA-N 2 2 298.434 3.047 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423072623 371948102 /nfs/dbraw/zinc/94/81/02/371948102.db2.gz PWNCLKIGHWEFJW-KGLIPLIRSA-N 2 2 282.815 3.098 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423076019 371950259 /nfs/dbraw/zinc/95/02/59/371950259.db2.gz YFGOABWAFJUURW-GDBMZVCRSA-N 2 2 282.472 3.092 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC000423192670 372019529 /nfs/dbraw/zinc/01/95/29/372019529.db2.gz QBMDUVXSBJLXLI-GOEBONIOSA-N 2 2 262.397 3.161 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2s1 ZINC000423197163 372021255 /nfs/dbraw/zinc/02/12/55/372021255.db2.gz YFQZODILRWAKBZ-AAEUAGOBSA-N 2 2 260.406 3.304 20 0 CGADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423204997 372029266 /nfs/dbraw/zinc/02/92/66/372029266.db2.gz BGEIRQWHUCYBLD-CABCVRRESA-N 2 2 264.800 3.133 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCCS2 ZINC000423207712 372030279 /nfs/dbraw/zinc/03/02/79/372030279.db2.gz SCDCNIBMVBGFAS-WCQYABFASA-N 2 2 282.840 3.219 20 0 CGADLP CCC[C@@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000344163256 217081081 /nfs/dbraw/zinc/08/10/81/217081081.db2.gz HHSAOUCGJBXEKI-CQSZACIVSA-N 2 2 270.461 3.044 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423418476 372061802 /nfs/dbraw/zinc/06/18/02/372061802.db2.gz HZXGQLKLTMNFOV-RTBURBONSA-N 2 2 296.389 3.290 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423297672 372049520 /nfs/dbraw/zinc/04/95/20/372049520.db2.gz LHORTLNYUHBVJV-JSGCOSHPSA-N 2 2 282.428 3.470 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423361182 372055165 /nfs/dbraw/zinc/05/51/65/372055165.db2.gz RFFKDUACEJGKEG-DMDPSCGWSA-N 2 2 250.411 3.028 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423359153 372055804 /nfs/dbraw/zinc/05/58/04/372055804.db2.gz CRGJAAGSMGKQCM-NWDGAFQWSA-N 2 2 289.448 3.425 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000423380531 372058701 /nfs/dbraw/zinc/05/87/01/372058701.db2.gz MVOSIQDUUXHRAR-UKRRQHHQSA-N 2 2 278.465 3.428 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423183781 372011117 /nfs/dbraw/zinc/01/11/17/372011117.db2.gz HPRXWGKBEMVFCG-RTBURBONSA-N 2 2 280.415 3.426 20 0 CGADLP COc1cccc2c(N[C@H](C)Cn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000290540121 372012072 /nfs/dbraw/zinc/01/20/72/372012072.db2.gz PCPBABCGBMACRU-CYBMUJFWSA-N 2 2 296.374 3.249 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423184763 372012885 /nfs/dbraw/zinc/01/28/85/372012885.db2.gz IPUJDHBDEBBUPR-ZANVPECISA-N 2 2 273.207 3.396 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000428543224 372228978 /nfs/dbraw/zinc/22/89/78/372228978.db2.gz HJHQTLZQKDVXNB-NJAFHUGGSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000428543224 372228985 /nfs/dbraw/zinc/22/89/85/372228985.db2.gz HJHQTLZQKDVXNB-NJAFHUGGSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000292917522 372249101 /nfs/dbraw/zinc/24/91/01/372249101.db2.gz FXSIMNBELARWSZ-VUNQQRPYSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000292917522 372249110 /nfs/dbraw/zinc/24/91/10/372249110.db2.gz FXSIMNBELARWSZ-VUNQQRPYSA-N 2 2 270.420 3.005 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000344284784 217132426 /nfs/dbraw/zinc/13/24/26/217132426.db2.gz GKQOCJLBBNMTAV-JKSUJKDBSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000344357324 217166024 /nfs/dbraw/zinc/16/60/24/217166024.db2.gz NVZFLJLUPOYQKS-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@H+]1C ZINC000344357324 217166025 /nfs/dbraw/zinc/16/60/25/217166025.db2.gz NVZFLJLUPOYQKS-BXUZGUMPSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1 ZINC000163402999 372467536 /nfs/dbraw/zinc/46/75/36/372467536.db2.gz FGOCLOBZTBGEPU-GFCCVEGCSA-N 2 2 277.334 3.374 20 0 CGADLP COCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293812888 372489695 /nfs/dbraw/zinc/48/96/95/372489695.db2.gz VRHJCAZXPFKSJO-CQSZACIVSA-N 2 2 287.407 3.196 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000166210142 372566133 /nfs/dbraw/zinc/56/61/33/372566133.db2.gz XECVTJWSWWOKGG-INIZCTEOSA-N 2 2 281.403 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288468 372569960 /nfs/dbraw/zinc/56/99/60/372569960.db2.gz SPEVDSDPPQGTSL-ZIBATOQPSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288468 372569966 /nfs/dbraw/zinc/56/99/66/372569966.db2.gz SPEVDSDPPQGTSL-ZIBATOQPSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cccnc1Cl)C[NH+]1CCCC1 ZINC000165290290 372547189 /nfs/dbraw/zinc/54/71/89/372547189.db2.gz NQAQNRKHFLHMCH-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344487496 217208175 /nfs/dbraw/zinc/20/81/75/217208175.db2.gz VQWWZQXWPXTLMO-INIZCTEOSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344487497 217208946 /nfs/dbraw/zinc/20/89/46/217208946.db2.gz VQWWZQXWPXTLMO-MRXNPFEDSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC4(CC4)CC3)n2c1 ZINC000434772806 372708359 /nfs/dbraw/zinc/70/83/59/372708359.db2.gz HRZFAPNYZDZOKB-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000434787832 372712220 /nfs/dbraw/zinc/71/22/20/372712220.db2.gz WKZDGQAVFNIWKX-UONOGXRCSA-N 2 2 261.413 3.298 20 0 CGADLP Oc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000295467067 372791903 /nfs/dbraw/zinc/79/19/03/372791903.db2.gz WHQDWKHQCSZMNV-UHFFFAOYSA-N 2 2 291.782 3.148 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000538969860 288597043 /nfs/dbraw/zinc/59/70/43/288597043.db2.gz AMUUXWLBDIGKMA-NVXWUHKLSA-N 2 2 260.425 3.459 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604043 217245625 /nfs/dbraw/zinc/24/56/25/217245625.db2.gz LJFARNLJAMCITP-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3cccnc3)cc2)C1 ZINC000344604043 217245627 /nfs/dbraw/zinc/24/56/27/217245627.db2.gz LJFARNLJAMCITP-BEFAXECRSA-N 2 2 295.430 3.178 20 0 CGADLP c1cn(C2CC[NH+](Cc3nc4ccccc4s3)CC2)c[nH+]1 ZINC000171933025 372858307 /nfs/dbraw/zinc/85/83/07/372858307.db2.gz LCPFVEJTYSXUDM-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212241 372914932 /nfs/dbraw/zinc/91/49/32/372914932.db2.gz HFCDMVZYMUZSJG-GDBMZVCRSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212241 372914938 /nfs/dbraw/zinc/91/49/38/372914938.db2.gz HFCDMVZYMUZSJG-GDBMZVCRSA-N 2 2 290.426 3.363 20 0 CGADLP CC[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438342449 372929191 /nfs/dbraw/zinc/92/91/91/372929191.db2.gz SFNBVZJJNNEGIR-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000438342451 372929628 /nfs/dbraw/zinc/92/96/28/372929628.db2.gz SFNBVZJJNNEGIR-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP C[NH+](C)C1(C[NH2+]CCCCCOc2ccccc2)CCC1 ZINC000438344451 372932083 /nfs/dbraw/zinc/93/20/83/372932083.db2.gz IAUNVNKXTCZCMX-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000353501247 220119663 /nfs/dbraw/zinc/11/96/63/220119663.db2.gz YRZSLSRNAHHSRJ-CVEARBPZSA-N 2 2 264.413 3.441 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccoc1 ZINC000353501247 220119666 /nfs/dbraw/zinc/11/96/66/220119666.db2.gz YRZSLSRNAHHSRJ-CVEARBPZSA-N 2 2 264.413 3.441 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000344707372 217283351 /nfs/dbraw/zinc/28/33/51/217283351.db2.gz DDTGGQMXKMJLLG-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000344707372 217283354 /nfs/dbraw/zinc/28/33/54/217283354.db2.gz DDTGGQMXKMJLLG-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000344707372 217283356 /nfs/dbraw/zinc/28/33/56/217283356.db2.gz DDTGGQMXKMJLLG-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000344707372 217283359 /nfs/dbraw/zinc/28/33/59/217283359.db2.gz DDTGGQMXKMJLLG-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP CCSCC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296038059 373002552 /nfs/dbraw/zinc/00/25/52/373002552.db2.gz NUFIAMDNTCLVBT-UHFFFAOYSA-N 2 2 295.839 3.368 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[N@@H+]1C ZINC000353529118 220139998 /nfs/dbraw/zinc/13/99/98/220139998.db2.gz IIFJMMBPPKGLST-FVQBIDKESA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[N@H+]1C ZINC000353529118 220139999 /nfs/dbraw/zinc/13/99/99/220139999.db2.gz IIFJMMBPPKGLST-FVQBIDKESA-N 2 2 290.455 3.103 20 0 CGADLP CC[C@@H](C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353573304 220167972 /nfs/dbraw/zinc/16/79/72/220167972.db2.gz KQTBOOFTGGPXTL-CQSZACIVSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353573304 220167976 /nfs/dbraw/zinc/16/79/76/220167976.db2.gz KQTBOOFTGGPXTL-CQSZACIVSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@@H](C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353573304 220167980 /nfs/dbraw/zinc/16/79/80/220167980.db2.gz KQTBOOFTGGPXTL-CQSZACIVSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@@H](C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353573304 220167983 /nfs/dbraw/zinc/16/79/83/220167983.db2.gz KQTBOOFTGGPXTL-CQSZACIVSA-N 2 2 252.402 3.079 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000444574384 373203130 /nfs/dbraw/zinc/20/31/30/373203130.db2.gz ZHBUTNVLCICQJK-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000444574384 373203140 /nfs/dbraw/zinc/20/31/40/373203140.db2.gz ZHBUTNVLCICQJK-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000353588249 220173349 /nfs/dbraw/zinc/17/33/49/220173349.db2.gz CTZIQJXMDDBZTJ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000353588249 220173352 /nfs/dbraw/zinc/17/33/52/220173352.db2.gz CTZIQJXMDDBZTJ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000353588249 220173354 /nfs/dbraw/zinc/17/33/54/220173354.db2.gz CTZIQJXMDDBZTJ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000353588249 220173357 /nfs/dbraw/zinc/17/33/57/220173357.db2.gz CTZIQJXMDDBZTJ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP CCC[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353577159 220170334 /nfs/dbraw/zinc/17/03/34/220170334.db2.gz SEIRFXDTGHTJQY-AWEZNQCLSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353577159 220170336 /nfs/dbraw/zinc/17/03/36/220170336.db2.gz SEIRFXDTGHTJQY-AWEZNQCLSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353577159 220170338 /nfs/dbraw/zinc/17/03/38/220170338.db2.gz SEIRFXDTGHTJQY-AWEZNQCLSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353577159 220170342 /nfs/dbraw/zinc/17/03/42/220170342.db2.gz SEIRFXDTGHTJQY-AWEZNQCLSA-N 2 2 252.402 3.222 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174224097 373270358 /nfs/dbraw/zinc/27/03/58/373270358.db2.gz XIBZSGZZUHCWFH-MRXNPFEDSA-N 2 2 290.451 3.249 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174224097 373270363 /nfs/dbraw/zinc/27/03/63/373270363.db2.gz XIBZSGZZUHCWFH-MRXNPFEDSA-N 2 2 290.451 3.249 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000446756178 373359889 /nfs/dbraw/zinc/35/98/89/373359889.db2.gz DUMIQKHZCYHBIF-MRXNPFEDSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353626579 220202749 /nfs/dbraw/zinc/20/27/49/220202749.db2.gz UIZVVERXQIXFGT-GXTWGEPZSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353626579 220202752 /nfs/dbraw/zinc/20/27/52/220202752.db2.gz UIZVVERXQIXFGT-GXTWGEPZSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895958 373519894 /nfs/dbraw/zinc/51/98/94/373519894.db2.gz FFWUDLRVBIULSL-RDJZCZTQSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895958 373519898 /nfs/dbraw/zinc/51/98/98/373519898.db2.gz FFWUDLRVBIULSL-RDJZCZTQSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000447940683 373527566 /nfs/dbraw/zinc/52/75/66/373527566.db2.gz ORDQANGTOTYGCW-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@H+]1C ZINC000447940683 373527573 /nfs/dbraw/zinc/52/75/73/373527573.db2.gz ORDQANGTOTYGCW-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353629963 220207028 /nfs/dbraw/zinc/20/70/28/220207028.db2.gz ZPJLOCRBWVGERI-RYUDHWBXSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353629963 220207031 /nfs/dbraw/zinc/20/70/31/220207031.db2.gz ZPJLOCRBWVGERI-RYUDHWBXSA-N 2 2 287.432 3.340 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000177287585 373673222 /nfs/dbraw/zinc/67/32/22/373673222.db2.gz JWIFWICJRABFFF-KGLIPLIRSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000177287585 373673228 /nfs/dbraw/zinc/67/32/28/373673228.db2.gz JWIFWICJRABFFF-KGLIPLIRSA-N 2 2 296.842 3.101 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCS2 ZINC000178306806 373765449 /nfs/dbraw/zinc/76/54/49/373765449.db2.gz MUZVJVMCNQJDIT-CQSZACIVSA-N 2 2 280.412 3.048 20 0 CGADLP CCO[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000449492371 373785051 /nfs/dbraw/zinc/78/50/51/373785051.db2.gz BVWPPPBELMFJCY-NVXWUHKLSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000449492371 373785057 /nfs/dbraw/zinc/78/50/57/373785057.db2.gz BVWPPPBELMFJCY-NVXWUHKLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)C3CCCC3)c[nH+]c12 ZINC000449753593 373883024 /nfs/dbraw/zinc/88/30/24/373883024.db2.gz JDRXWCDCYUCSDT-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000449761591 373889508 /nfs/dbraw/zinc/88/95/08/373889508.db2.gz ZAYSKLIRLVOLEP-IAGOWNOFSA-N 2 2 276.424 3.260 20 0 CGADLP C[N@H+](CCCOc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179761374 373914290 /nfs/dbraw/zinc/91/42/90/373914290.db2.gz JCYRKTUJQBLSIG-UHFFFAOYSA-N 2 2 295.386 3.235 20 0 CGADLP C[N@@H+](CCCOc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179761374 373914296 /nfs/dbraw/zinc/91/42/96/373914296.db2.gz JCYRKTUJQBLSIG-UHFFFAOYSA-N 2 2 295.386 3.235 20 0 CGADLP CC[C@]1(C)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180288588 373986356 /nfs/dbraw/zinc/98/63/56/373986356.db2.gz YHAUKGZBMBELIP-MRXNPFEDSA-N 2 2 257.381 3.346 20 0 CGADLP CC[C@]1(C)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180288588 373986361 /nfs/dbraw/zinc/98/63/61/373986361.db2.gz YHAUKGZBMBELIP-MRXNPFEDSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181093167 374077802 /nfs/dbraw/zinc/07/78/02/374077802.db2.gz GXTNNGILCUDBOI-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP CC[NH+](CC)CCCC1CCN(c2cccc[nH+]2)CC1 ZINC000181829149 374177852 /nfs/dbraw/zinc/17/78/52/374177852.db2.gz ISNZNWOKRKQBKE-UHFFFAOYSA-N 2 2 275.440 3.420 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Br)C[NH+](C)C ZINC000310131137 374208962 /nfs/dbraw/zinc/20/89/62/374208962.db2.gz KTCZJEMFHMVENL-RYUDHWBXSA-N 2 2 299.256 3.297 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000181907369 374191022 /nfs/dbraw/zinc/19/10/22/374191022.db2.gz OFNGRJMTFLVNPK-IRXDYDNUSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181907369 374191031 /nfs/dbraw/zinc/19/10/31/374191031.db2.gz OFNGRJMTFLVNPK-IRXDYDNUSA-N 2 2 290.451 3.002 20 0 CGADLP Clc1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000312619249 374286300 /nfs/dbraw/zinc/28/63/00/374286300.db2.gz UDECSWYEKBDCPF-VXGBXAGGSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312619249 374286308 /nfs/dbraw/zinc/28/63/08/374286308.db2.gz UDECSWYEKBDCPF-VXGBXAGGSA-N 2 2 270.829 3.118 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1C ZINC000313484437 374302196 /nfs/dbraw/zinc/30/21/96/374302196.db2.gz GNEQBUJVNTWRMU-MXSMSXNCSA-N 2 2 272.436 3.458 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)CCc1cccc(F)c1 ZINC000182782363 374326380 /nfs/dbraw/zinc/32/63/80/374326380.db2.gz XZPOICZSOLYPNE-UHFFFAOYSA-N 2 2 289.398 3.367 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(F)c1 ZINC000182782363 374326385 /nfs/dbraw/zinc/32/63/85/374326385.db2.gz XZPOICZSOLYPNE-UHFFFAOYSA-N 2 2 289.398 3.367 20 0 CGADLP CCC1([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000453287930 374393831 /nfs/dbraw/zinc/39/38/31/374393831.db2.gz LDIMEHKBOBOBIH-GDBMZVCRSA-N 2 2 258.409 3.354 20 0 CGADLP CCC1([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000453287930 374393838 /nfs/dbraw/zinc/39/38/38/374393838.db2.gz LDIMEHKBOBOBIH-GDBMZVCRSA-N 2 2 258.409 3.354 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000183179491 374382629 /nfs/dbraw/zinc/38/26/29/374382629.db2.gz PJILKUMQQWPFRZ-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000183179491 374382635 /nfs/dbraw/zinc/38/26/35/374382635.db2.gz PJILKUMQQWPFRZ-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccsc1 ZINC000453275536 374384850 /nfs/dbraw/zinc/38/48/50/374384850.db2.gz WXDMECXWTGSXFW-HOTGVXAUSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccsc1 ZINC000453275536 374384852 /nfs/dbraw/zinc/38/48/52/374384852.db2.gz WXDMECXWTGSXFW-HOTGVXAUSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000184279522 374509476 /nfs/dbraw/zinc/50/94/76/374509476.db2.gz PNESOWBZLKEESN-HNNXBMFYSA-N 2 2 296.418 3.105 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000334221843 206214171 /nfs/dbraw/zinc/21/41/71/206214171.db2.gz UPFWCMDGLFCMDT-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185680938 374713550 /nfs/dbraw/zinc/71/35/50/374713550.db2.gz NNWLRWMCIXZRNH-KSSFIOAISA-N 2 2 284.403 3.173 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000459321318 374802536 /nfs/dbraw/zinc/80/25/36/374802536.db2.gz GKSKGRFRKMEMHK-OAHLLOKOSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000459321318 374802541 /nfs/dbraw/zinc/80/25/41/374802541.db2.gz GKSKGRFRKMEMHK-OAHLLOKOSA-N 2 2 286.410 3.372 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696588 374846713 /nfs/dbraw/zinc/84/67/13/374846713.db2.gz CZCNZPPSHHGDOF-GOEBONIOSA-N 2 2 250.430 3.197 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696588 374846717 /nfs/dbraw/zinc/84/67/17/374846717.db2.gz CZCNZPPSHHGDOF-GOEBONIOSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CS1 ZINC000094470806 541987679 /nfs/dbraw/zinc/98/76/79/541987679.db2.gz GFJQBIZYOOCQQP-PVAVHDDUSA-N 2 2 290.476 3.307 20 0 CGADLP c1cn(CCC[NH+]2CCC(c3ccsc3)CC2)c[nH+]1 ZINC000186941682 374941013 /nfs/dbraw/zinc/94/10/13/374941013.db2.gz MBIGQUFWBOCYGX-UHFFFAOYSA-N 2 2 275.421 3.214 20 0 CGADLP Cc1cc(C)c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cn1 ZINC000334705451 374989930 /nfs/dbraw/zinc/98/99/30/374989930.db2.gz MATSUNSCZROPML-UHFFFAOYSA-N 2 2 298.390 3.340 20 0 CGADLP Cc1cc(C)c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c[nH+]1 ZINC000334705451 374989938 /nfs/dbraw/zinc/98/99/38/374989938.db2.gz MATSUNSCZROPML-UHFFFAOYSA-N 2 2 298.390 3.340 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000334736052 375019787 /nfs/dbraw/zinc/01/97/87/375019787.db2.gz HZJDVINFPFZIBR-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP Cc1cc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc(C)[nH+]1 ZINC000335151536 375177578 /nfs/dbraw/zinc/17/75/78/375177578.db2.gz NLZQAGQEGQELRV-UHFFFAOYSA-N 2 2 298.390 3.340 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000188467526 375219787 /nfs/dbraw/zinc/21/97/87/375219787.db2.gz PBEWCDWHWJAKIF-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000188467526 375219795 /nfs/dbraw/zinc/21/97/95/375219795.db2.gz PBEWCDWHWJAKIF-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)ccn1 ZINC000189072469 375317692 /nfs/dbraw/zinc/31/76/92/375317692.db2.gz JJJGJCOPGPPROM-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088482 375321672 /nfs/dbraw/zinc/32/16/72/375321672.db2.gz SKHVSVGCIARSSV-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088482 375321678 /nfs/dbraw/zinc/32/16/78/375321678.db2.gz SKHVSVGCIARSSV-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088482 375321688 /nfs/dbraw/zinc/32/16/88/375321688.db2.gz SKHVSVGCIARSSV-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088482 375321691 /nfs/dbraw/zinc/32/16/91/375321691.db2.gz SKHVSVGCIARSSV-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000491033729 375323595 /nfs/dbraw/zinc/32/35/95/375323595.db2.gz FVHMSCLVPWATLI-SUNYJGFJSA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000491033729 375323600 /nfs/dbraw/zinc/32/36/00/375323600.db2.gz FVHMSCLVPWATLI-SUNYJGFJSA-N 2 2 272.436 3.382 20 0 CGADLP COCCC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000189093647 375323646 /nfs/dbraw/zinc/32/36/46/375323646.db2.gz NIFZAJKRXDAUGW-MRXNPFEDSA-N 2 2 293.455 3.096 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191334268 375611554 /nfs/dbraw/zinc/61/15/54/375611554.db2.gz FUJFCHMUZWPPCJ-YDHLFZDLSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)C ZINC000191334268 375611560 /nfs/dbraw/zinc/61/15/60/375611560.db2.gz FUJFCHMUZWPPCJ-YDHLFZDLSA-N 2 2 290.455 3.048 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000192236062 375713487 /nfs/dbraw/zinc/71/34/87/375713487.db2.gz QAMGAKTXHDLRON-UHFFFAOYSA-N 2 2 297.406 3.238 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000509122493 375772642 /nfs/dbraw/zinc/77/26/42/375772642.db2.gz DDAUVBXZRNTVNF-WBVHZDCISA-N 2 2 280.431 3.481 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000509122493 375772646 /nfs/dbraw/zinc/77/26/46/375772646.db2.gz DDAUVBXZRNTVNF-WBVHZDCISA-N 2 2 280.431 3.481 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000192641478 375774323 /nfs/dbraw/zinc/77/43/23/375774323.db2.gz ZBDJOVOIXRSVMV-QGZVFWFLSA-N 2 2 273.424 3.009 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000534580215 375993755 /nfs/dbraw/zinc/99/37/55/375993755.db2.gz XONTYAPJGXYCRN-GFCCVEGCSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000534580215 375993759 /nfs/dbraw/zinc/99/37/59/375993759.db2.gz XONTYAPJGXYCRN-GFCCVEGCSA-N 2 2 298.415 3.019 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000346099306 217800880 /nfs/dbraw/zinc/80/08/80/217800880.db2.gz RHMWUDHORWKAKA-INIZCTEOSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000346099306 217800883 /nfs/dbraw/zinc/80/08/83/217800883.db2.gz RHMWUDHORWKAKA-INIZCTEOSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000336839100 376001071 /nfs/dbraw/zinc/00/10/71/376001071.db2.gz SEEFOLKYTKZSEP-UHFFFAOYSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000535050721 376016587 /nfs/dbraw/zinc/01/65/87/376016587.db2.gz NBGLKVJRLMFBBJ-DZGCQCFKSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000535050721 376016593 /nfs/dbraw/zinc/01/65/93/376016593.db2.gz NBGLKVJRLMFBBJ-DZGCQCFKSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000535050721 376016597 /nfs/dbraw/zinc/01/65/97/376016597.db2.gz NBGLKVJRLMFBBJ-DZGCQCFKSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000535050721 376016602 /nfs/dbraw/zinc/01/66/02/376016602.db2.gz NBGLKVJRLMFBBJ-DZGCQCFKSA-N 2 2 276.399 3.229 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000535593914 376044628 /nfs/dbraw/zinc/04/46/28/376044628.db2.gz NSYFOVJZPNZOEW-YVMONPNESA-N 2 2 293.414 3.225 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cscn1 ZINC000536625958 376102772 /nfs/dbraw/zinc/10/27/72/376102772.db2.gz SPAYVJNMVBNRLY-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH]1 ZINC000536653832 376109174 /nfs/dbraw/zinc/10/91/74/376109174.db2.gz KLEQASRGEKINIE-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH+]3CCc4ccccc4CC3)n2c1 ZINC000537636734 376189150 /nfs/dbraw/zinc/18/91/50/376189150.db2.gz PTJKYDPDCJJKRU-UHFFFAOYSA-N 2 2 291.398 3.244 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000337259459 376171799 /nfs/dbraw/zinc/17/17/99/376171799.db2.gz PCIBAMRMMVQMBR-DOTOQJQBSA-N 2 2 287.451 3.182 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222853385 376242695 /nfs/dbraw/zinc/24/26/95/376242695.db2.gz PJEJGPFVMIYDSL-UXLLHSPISA-N 2 2 272.436 3.141 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222853385 376242705 /nfs/dbraw/zinc/24/27/05/376242705.db2.gz PJEJGPFVMIYDSL-UXLLHSPISA-N 2 2 272.436 3.141 20 0 CGADLP CCOc1ccc2c(c1)CC[N@@H+](CCC[NH+](CC)CC)C2 ZINC000338277201 376309269 /nfs/dbraw/zinc/30/92/69/376309269.db2.gz SWCCWCRZXOJXIO-UHFFFAOYSA-N 2 2 290.451 3.175 20 0 CGADLP CCOc1ccc2c(c1)CC[N@H+](CCC[NH+](CC)CC)C2 ZINC000338277201 376309272 /nfs/dbraw/zinc/30/92/72/376309272.db2.gz SWCCWCRZXOJXIO-UHFFFAOYSA-N 2 2 290.451 3.175 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000538971843 376283684 /nfs/dbraw/zinc/28/36/84/376283684.db2.gz SHHWDGORVZIQQL-ZOBUZTSGSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000538971843 376283689 /nfs/dbraw/zinc/28/36/89/376283689.db2.gz SHHWDGORVZIQQL-ZOBUZTSGSA-N 2 2 260.425 3.458 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000227599877 376401477 /nfs/dbraw/zinc/40/14/77/376401477.db2.gz DCNWWBTVHHZWTO-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000227599877 376401482 /nfs/dbraw/zinc/40/14/82/376401482.db2.gz DCNWWBTVHHZWTO-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCc2ccccc2C1 ZINC000541057199 376419322 /nfs/dbraw/zinc/41/93/22/376419322.db2.gz AOCOUKYJBWMQNW-DBVUQKKJSA-N 2 2 298.474 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCc2ccccc2C1 ZINC000541057199 376419325 /nfs/dbraw/zinc/41/93/25/376419325.db2.gz AOCOUKYJBWMQNW-DBVUQKKJSA-N 2 2 298.474 3.350 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCc2ccccc2C1 ZINC000541057199 376419334 /nfs/dbraw/zinc/41/93/34/376419334.db2.gz AOCOUKYJBWMQNW-DBVUQKKJSA-N 2 2 298.474 3.350 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ccccc2C1 ZINC000541057199 376419342 /nfs/dbraw/zinc/41/93/42/376419342.db2.gz AOCOUKYJBWMQNW-DBVUQKKJSA-N 2 2 298.474 3.350 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000540328378 376370852 /nfs/dbraw/zinc/37/08/52/376370852.db2.gz YDACMDMDQKHKMJ-CQSZACIVSA-N 2 2 273.380 3.021 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229633481 376467689 /nfs/dbraw/zinc/46/76/89/376467689.db2.gz GJROMBXXBJKVJP-INIZCTEOSA-N 2 2 273.424 3.234 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000230993675 376551390 /nfs/dbraw/zinc/55/13/90/376551390.db2.gz LLVWCHFZLLBHBA-JKSUJKDBSA-N 2 2 263.429 3.468 20 0 CGADLP C[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]CC1 ZINC000231669335 376564902 /nfs/dbraw/zinc/56/49/02/376564902.db2.gz MUCQVJMHHWEZOQ-LBPRGKRZSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]CC1 ZINC000231669335 376564908 /nfs/dbraw/zinc/56/49/08/376564908.db2.gz MUCQVJMHHWEZOQ-LBPRGKRZSA-N 2 2 281.469 3.015 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)[N@H+](C)C1CC1 ZINC000542471041 376544459 /nfs/dbraw/zinc/54/44/59/376544459.db2.gz OMVCFFRDBAANJM-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)[N@@H+](C)C1CC1 ZINC000542471041 376544465 /nfs/dbraw/zinc/54/44/65/376544465.db2.gz OMVCFFRDBAANJM-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000232711299 376588425 /nfs/dbraw/zinc/58/84/25/376588425.db2.gz SSUOPFLLEXQHGY-CRAIPNDOSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000232711299 376588428 /nfs/dbraw/zinc/58/84/28/376588428.db2.gz SSUOPFLLEXQHGY-CRAIPNDOSA-N 2 2 274.452 3.499 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000234054179 376610448 /nfs/dbraw/zinc/61/04/48/376610448.db2.gz IWYDLYVRIVEOMX-KGLIPLIRSA-N 2 2 252.789 3.133 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000234934407 376624552 /nfs/dbraw/zinc/62/45/52/376624552.db2.gz IYOWYYRRVOTOBR-SLEUVZQESA-N 2 2 296.842 3.167 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000234934407 376624561 /nfs/dbraw/zinc/62/45/61/376624561.db2.gz IYOWYYRRVOTOBR-SLEUVZQESA-N 2 2 296.842 3.167 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2C[NH3+])c1Br ZINC000235945946 376654851 /nfs/dbraw/zinc/65/48/51/376654851.db2.gz CSTMSBXAAGHWNO-QWRGUYRKSA-N 2 2 298.228 3.082 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281240 542101888 /nfs/dbraw/zinc/10/18/88/542101888.db2.gz KVDVBJCIRJYKPW-BEFAXECRSA-N 2 2 295.430 3.143 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000545161145 376792065 /nfs/dbraw/zinc/79/20/65/376792065.db2.gz LYFRWSWBRZNFSL-DLBZAZTESA-N 2 2 262.441 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000545161145 376792070 /nfs/dbraw/zinc/79/20/70/376792070.db2.gz LYFRWSWBRZNFSL-DLBZAZTESA-N 2 2 262.441 3.197 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)CCc3ccco3)[nH+]c12 ZINC000156313495 542128268 /nfs/dbraw/zinc/12/82/68/542128268.db2.gz SRIZKDAOSFVRKG-OAHLLOKOSA-N 2 2 297.402 3.389 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000556867551 376892218 /nfs/dbraw/zinc/89/22/18/376892218.db2.gz FVGHVIIKHKVVRW-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000556867551 376892227 /nfs/dbraw/zinc/89/22/27/376892227.db2.gz FVGHVIIKHKVVRW-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000556873161 376894188 /nfs/dbraw/zinc/89/41/88/376894188.db2.gz VIVAYMIZSJCUTK-DLBZAZTESA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000556873161 376894194 /nfs/dbraw/zinc/89/41/94/376894194.db2.gz VIVAYMIZSJCUTK-DLBZAZTESA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000340182430 376937775 /nfs/dbraw/zinc/93/77/75/376937775.db2.gz MMBUUPCQFCPMIX-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC23CCCC3)C[C@H](C)O1 ZINC000340182430 376937781 /nfs/dbraw/zinc/93/77/81/376937781.db2.gz MMBUUPCQFCPMIX-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340182341 376938221 /nfs/dbraw/zinc/93/82/21/376938221.db2.gz WFOLRCGLZUUAHL-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340182341 376938222 /nfs/dbraw/zinc/93/82/22/376938222.db2.gz WFOLRCGLZUUAHL-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)no1 ZINC000340195968 376944965 /nfs/dbraw/zinc/94/49/65/376944965.db2.gz IFSSVVAWHXCCFD-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000340238165 376958816 /nfs/dbraw/zinc/95/88/16/376958816.db2.gz YJNRDAHRNQNANL-VYDXJSESSA-N 2 2 290.451 3.225 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000340238165 376958822 /nfs/dbraw/zinc/95/88/22/376958822.db2.gz YJNRDAHRNQNANL-VYDXJSESSA-N 2 2 290.451 3.225 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCC23CCCC3)CCSC1 ZINC000340252773 376966716 /nfs/dbraw/zinc/96/67/16/376966716.db2.gz BZLLWIAHLQUXSK-GOEBONIOSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)C[N@@H+]1C1CC1 ZINC000340259429 376968949 /nfs/dbraw/zinc/96/89/49/376968949.db2.gz NGYUOZSBNIYJJO-IJEWVQPXSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)C[N@H+]1C1CC1 ZINC000340259429 376968956 /nfs/dbraw/zinc/96/89/56/376968956.db2.gz NGYUOZSBNIYJJO-IJEWVQPXSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426079 377051733 /nfs/dbraw/zinc/05/17/33/377051733.db2.gz FBWJKPHUTCYGST-LRDDRELGSA-N 2 2 294.389 3.371 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426079 377051742 /nfs/dbraw/zinc/05/17/42/377051742.db2.gz FBWJKPHUTCYGST-LRDDRELGSA-N 2 2 294.389 3.371 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000559958680 377109767 /nfs/dbraw/zinc/10/97/67/377109767.db2.gz ZQFXPXULAOMVKN-MAUKXSAKSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000559958680 377109776 /nfs/dbraw/zinc/10/97/76/377109776.db2.gz ZQFXPXULAOMVKN-MAUKXSAKSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccncc1F ZINC000340518391 377115720 /nfs/dbraw/zinc/11/57/20/377115720.db2.gz SJUFKMKFQSRRMJ-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000340476335 377087682 /nfs/dbraw/zinc/08/76/82/377087682.db2.gz UGHMCZODISFTKB-LSDHHAIUSA-N 2 2 298.434 3.286 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCOC2(C)C)[NH+](C)C)cc1 ZINC000559722134 377095840 /nfs/dbraw/zinc/09/58/40/377095840.db2.gz QAJIMODAVQZMLB-IAGOWNOFSA-N 2 2 290.451 3.009 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000560856056 377195227 /nfs/dbraw/zinc/19/52/27/377195227.db2.gz WVCLTLGWGISZOK-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000560856056 377195233 /nfs/dbraw/zinc/19/52/33/377195233.db2.gz WVCLTLGWGISZOK-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2F)C1 ZINC000340540533 377136168 /nfs/dbraw/zinc/13/61/68/377136168.db2.gz GMRNCZKBTADXFM-LSDHHAIUSA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2F)C1 ZINC000340540533 377136176 /nfs/dbraw/zinc/13/61/76/377136176.db2.gz GMRNCZKBTADXFM-LSDHHAIUSA-N 2 2 293.430 3.239 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000247046087 377147247 /nfs/dbraw/zinc/14/72/47/377147247.db2.gz MZSBFNTVLILEJS-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000247046087 377147252 /nfs/dbraw/zinc/14/72/52/377147252.db2.gz MZSBFNTVLILEJS-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247216253 377177272 /nfs/dbraw/zinc/17/72/72/377177272.db2.gz XGQPWSAPBLRCQP-ZBFHGGJFSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247216253 377177277 /nfs/dbraw/zinc/17/72/77/377177277.db2.gz XGQPWSAPBLRCQP-ZBFHGGJFSA-N 2 2 286.419 3.117 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000561784334 377245868 /nfs/dbraw/zinc/24/58/68/377245868.db2.gz ZMUZTWQUDLATQU-HYVNUMGLSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000561784334 377245876 /nfs/dbraw/zinc/24/58/76/377245876.db2.gz ZMUZTWQUDLATQU-HYVNUMGLSA-N 2 2 260.425 3.285 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135421 377269816 /nfs/dbraw/zinc/26/98/16/377269816.db2.gz OZZPMIMWXRIPFB-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248034798 377261180 /nfs/dbraw/zinc/26/11/80/377261180.db2.gz RJIQQMJBMQAHQI-QZTJIDSGSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248034798 377261183 /nfs/dbraw/zinc/26/11/83/377261183.db2.gz RJIQQMJBMQAHQI-QZTJIDSGSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135421 377269826 /nfs/dbraw/zinc/26/98/26/377269826.db2.gz OZZPMIMWXRIPFB-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135421 377269838 /nfs/dbraw/zinc/26/98/38/377269838.db2.gz OZZPMIMWXRIPFB-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Cl)CC[C@H]21 ZINC000248135421 377269847 /nfs/dbraw/zinc/26/98/47/377269847.db2.gz OZZPMIMWXRIPFB-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063142 377263267 /nfs/dbraw/zinc/26/32/67/377263267.db2.gz LZFKYFPVRXVTQB-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063142 377263280 /nfs/dbraw/zinc/26/32/80/377263280.db2.gz LZFKYFPVRXVTQB-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063142 377263286 /nfs/dbraw/zinc/26/32/86/377263286.db2.gz LZFKYFPVRXVTQB-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)CC[C@H]21 ZINC000248063142 377263294 /nfs/dbraw/zinc/26/32/94/377263294.db2.gz LZFKYFPVRXVTQB-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000248526475 377336413 /nfs/dbraw/zinc/33/64/13/377336413.db2.gz FTUJFZDFQJRZQI-CHWSQXEVSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000248526475 377336418 /nfs/dbraw/zinc/33/64/18/377336418.db2.gz FTUJFZDFQJRZQI-CHWSQXEVSA-N 2 2 298.377 3.423 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000562738536 377356291 /nfs/dbraw/zinc/35/62/91/377356291.db2.gz ZGAAHEUYZBMSBG-CQSZACIVSA-N 2 2 299.418 3.387 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000163619362 542167751 /nfs/dbraw/zinc/16/77/51/542167751.db2.gz CMXXKTYIONZURW-SFHVURJKSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000313256744 249089681 /nfs/dbraw/zinc/08/96/81/249089681.db2.gz ZQNHCHYBWRHMGF-HNNXBMFYSA-N 2 2 271.408 3.239 20 0 CGADLP C[C@H]([NH2+]Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000422904188 249127706 /nfs/dbraw/zinc/12/77/06/249127706.db2.gz PUQDYNCETHGCKF-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000469875832 249161359 /nfs/dbraw/zinc/16/13/59/249161359.db2.gz ZHDXLOGLCPNBKG-JKSUJKDBSA-N 2 2 260.425 3.382 20 0 CGADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000469875832 249161362 /nfs/dbraw/zinc/16/13/62/249161362.db2.gz ZHDXLOGLCPNBKG-JKSUJKDBSA-N 2 2 260.425 3.382 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc3ccccc3s2)C1 ZINC000514737385 249187540 /nfs/dbraw/zinc/18/75/40/249187540.db2.gz APGALJFAUNIOOF-UHFFFAOYSA-N 2 2 260.406 3.084 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000516770706 249243086 /nfs/dbraw/zinc/24/30/86/249243086.db2.gz IUJDZAFPJHYKQK-CQSZACIVSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000516770706 249243088 /nfs/dbraw/zinc/24/30/88/249243088.db2.gz IUJDZAFPJHYKQK-CQSZACIVSA-N 2 2 296.842 3.298 20 0 CGADLP C[NH2+]CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000573936256 377598716 /nfs/dbraw/zinc/59/87/16/377598716.db2.gz ZIXVMIIYBAIDHW-UHFFFAOYSA-N 2 2 295.839 3.163 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252744593 377661820 /nfs/dbraw/zinc/66/18/20/377661820.db2.gz OCVRFRWRZRMLNE-OLZOCXBDSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252744593 377661831 /nfs/dbraw/zinc/66/18/31/377661831.db2.gz OCVRFRWRZRMLNE-OLZOCXBDSA-N 2 2 282.790 3.196 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439510 377664185 /nfs/dbraw/zinc/66/41/85/377664185.db2.gz VHMGMNRMYGWRAH-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439510 377664193 /nfs/dbraw/zinc/66/41/93/377664193.db2.gz VHMGMNRMYGWRAH-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439510 377664197 /nfs/dbraw/zinc/66/41/97/377664197.db2.gz VHMGMNRMYGWRAH-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439510 377664208 /nfs/dbraw/zinc/66/42/08/377664208.db2.gz VHMGMNRMYGWRAH-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP CCCc1[nH+]ccn1Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000342661841 377718944 /nfs/dbraw/zinc/71/89/44/377718944.db2.gz VJXFBBGILIQSJZ-UHFFFAOYSA-N 2 2 254.337 3.069 20 0 CGADLP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000261555126 377816667 /nfs/dbraw/zinc/81/66/67/377816667.db2.gz USRBAQTVMDXJGR-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000261555125 377816859 /nfs/dbraw/zinc/81/68/59/377816859.db2.gz USRBAQTVMDXJGR-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261572103 377819083 /nfs/dbraw/zinc/81/90/83/377819083.db2.gz ABTJGBWKUFOXIA-RAIGVLPGSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261572103 377819087 /nfs/dbraw/zinc/81/90/87/377819087.db2.gz ABTJGBWKUFOXIA-RAIGVLPGSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261574004 377820636 /nfs/dbraw/zinc/82/06/36/377820636.db2.gz AYEMTBAMNZBXOE-GMXABZIVSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261574004 377820640 /nfs/dbraw/zinc/82/06/40/377820640.db2.gz AYEMTBAMNZBXOE-GMXABZIVSA-N 2 2 282.790 3.224 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261581583 377821329 /nfs/dbraw/zinc/82/13/29/377821329.db2.gz QTEBLEZKHREFPQ-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261581583 377821333 /nfs/dbraw/zinc/82/13/33/377821333.db2.gz QTEBLEZKHREFPQ-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000261922174 377867486 /nfs/dbraw/zinc/86/74/86/377867486.db2.gz ZNPLFCNNDCTRMB-ZWKOTPCHSA-N 2 2 292.382 3.360 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccccc1 ZINC000261922174 377867489 /nfs/dbraw/zinc/86/74/89/377867489.db2.gz ZNPLFCNNDCTRMB-ZWKOTPCHSA-N 2 2 292.382 3.360 20 0 CGADLP Cc1cccc2nc(C3CC[NH+](CC(C)(C)[NH3+])CC3)oc21 ZINC000261921849 377868006 /nfs/dbraw/zinc/86/80/06/377868006.db2.gz KOXLEUQBFGMZGQ-UHFFFAOYSA-N 2 2 287.407 3.053 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2s1 ZINC000262017883 377880263 /nfs/dbraw/zinc/88/02/63/377880263.db2.gz MYELAHSUBCSDCH-IAQYHMDHSA-N 2 2 289.448 3.306 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2s1 ZINC000262017883 377880264 /nfs/dbraw/zinc/88/02/64/377880264.db2.gz MYELAHSUBCSDCH-IAQYHMDHSA-N 2 2 289.448 3.306 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039192 377882498 /nfs/dbraw/zinc/88/24/98/377882498.db2.gz YAHINKXFMUBXOG-CVEARBPZSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000262039192 377882504 /nfs/dbraw/zinc/88/25/04/377882504.db2.gz YAHINKXFMUBXOG-CVEARBPZSA-N 2 2 260.425 3.300 20 0 CGADLP CCC[N@H+](Cc1cc(OC)ccc1Cl)C1CC[NH2+]CC1 ZINC000262127858 377887891 /nfs/dbraw/zinc/88/78/91/377887891.db2.gz NGAXSVXMRGKEIH-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CCC[N@@H+](Cc1cc(OC)ccc1Cl)C1CC[NH2+]CC1 ZINC000262127858 377887900 /nfs/dbraw/zinc/88/79/00/377887900.db2.gz NGAXSVXMRGKEIH-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP [NH3+][C@@H]1C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000262388416 377896678 /nfs/dbraw/zinc/89/66/78/377896678.db2.gz ZLXVUJCQXFJIQW-SJORKVTESA-N 2 2 294.402 3.239 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000261796136 377855141 /nfs/dbraw/zinc/85/51/41/377855141.db2.gz GPQSPOIMIVUSSJ-NSHDSACASA-N 2 2 284.806 3.223 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000261796136 377855148 /nfs/dbraw/zinc/85/51/48/377855148.db2.gz GPQSPOIMIVUSSJ-NSHDSACASA-N 2 2 284.806 3.223 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@H+](C)CC[NH3+] ZINC000263066525 377916528 /nfs/dbraw/zinc/91/65/28/377916528.db2.gz WAJQXFSQTPBAIB-ZDUSSCGKSA-N 2 2 289.448 3.378 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CC[NH3+] ZINC000263066525 377916535 /nfs/dbraw/zinc/91/65/35/377916535.db2.gz WAJQXFSQTPBAIB-ZDUSSCGKSA-N 2 2 289.448 3.378 20 0 CGADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000343206709 377930237 /nfs/dbraw/zinc/93/02/37/377930237.db2.gz NUWJVTBHAQQTEW-OCCSQVGLSA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000343206709 377930242 /nfs/dbraw/zinc/93/02/42/377930242.db2.gz NUWJVTBHAQQTEW-OCCSQVGLSA-N 2 2 288.391 3.014 20 0 CGADLP CCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317375 377952142 /nfs/dbraw/zinc/95/21/42/377952142.db2.gz ZJBTWSHXQZTXGJ-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317375 377952143 /nfs/dbraw/zinc/95/21/43/377952143.db2.gz ZJBTWSHXQZTXGJ-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515667 378003328 /nfs/dbraw/zinc/00/33/28/378003328.db2.gz AARQTUIIGYMURW-RHSMWYFYSA-N 2 2 292.471 3.077 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515667 378003333 /nfs/dbraw/zinc/00/33/33/378003333.db2.gz AARQTUIIGYMURW-RHSMWYFYSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515667 378003339 /nfs/dbraw/zinc/00/33/39/378003339.db2.gz AARQTUIIGYMURW-RHSMWYFYSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515667 378003344 /nfs/dbraw/zinc/00/33/44/378003344.db2.gz AARQTUIIGYMURW-RHSMWYFYSA-N 2 2 292.471 3.077 20 0 CGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1(C)CC1 ZINC000343737557 378078260 /nfs/dbraw/zinc/07/82/60/378078260.db2.gz JBSNZKLEVJDGKE-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578903482 378112084 /nfs/dbraw/zinc/11/20/84/378112084.db2.gz KAHUHIFVLTVXLI-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccccc1CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578903482 378112091 /nfs/dbraw/zinc/11/20/91/378112091.db2.gz KAHUHIFVLTVXLI-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000268746210 378101555 /nfs/dbraw/zinc/10/15/55/378101555.db2.gz SAKBFMBGVNJKNV-XMZIXOGTSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000268746210 378101559 /nfs/dbraw/zinc/10/15/59/378101559.db2.gz SAKBFMBGVNJKNV-XMZIXOGTSA-N 2 2 280.362 3.098 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)n1C ZINC000580330646 378241576 /nfs/dbraw/zinc/24/15/76/378241576.db2.gz QFQVRZPPUYAIKS-GDBMZVCRSA-N 2 2 263.429 3.423 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000580791891 378258424 /nfs/dbraw/zinc/25/84/24/378258424.db2.gz KJBASUHGFPIKBD-HIFRSBDPSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000580791891 378258426 /nfs/dbraw/zinc/25/84/26/378258426.db2.gz KJBASUHGFPIKBD-HIFRSBDPSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000580791892 378258604 /nfs/dbraw/zinc/25/86/04/378258604.db2.gz KJBASUHGFPIKBD-UKRRQHHQSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000580791892 378258608 /nfs/dbraw/zinc/25/86/08/378258608.db2.gz KJBASUHGFPIKBD-UKRRQHHQSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(Cl)c2Cl)n1C ZINC000582371463 378307974 /nfs/dbraw/zinc/30/79/74/378307974.db2.gz ZZCMORDJVQLYCH-UHFFFAOYSA-N 2 2 284.190 3.325 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583735102 378343133 /nfs/dbraw/zinc/34/31/33/378343133.db2.gz SMTPVZSGFUFLCZ-QWFMPGPPSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583735102 378343139 /nfs/dbraw/zinc/34/31/39/378343139.db2.gz SMTPVZSGFUFLCZ-QWFMPGPPSA-N 2 2 294.389 3.285 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CC2(C)CC2)[NH+](C)C)cc1 ZINC000583847814 378352280 /nfs/dbraw/zinc/35/22/80/378352280.db2.gz WUWGXLOBMMZRAF-MRXNPFEDSA-N 2 2 260.425 3.241 20 0 CGADLP Cc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000270948465 378417096 /nfs/dbraw/zinc/41/70/96/378417096.db2.gz ZYBKUPWNXSNXON-UHFFFAOYSA-N 2 2 295.386 3.487 20 0 CGADLP Cc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000270948465 378417101 /nfs/dbraw/zinc/41/71/01/378417101.db2.gz ZYBKUPWNXSNXON-UHFFFAOYSA-N 2 2 295.386 3.487 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000270880186 378409539 /nfs/dbraw/zinc/40/95/39/378409539.db2.gz NKMOUCRMNRCWOT-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000270880186 378409544 /nfs/dbraw/zinc/40/95/44/378409544.db2.gz NKMOUCRMNRCWOT-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000270569916 378370228 /nfs/dbraw/zinc/37/02/28/378370228.db2.gz MXGPGXLWIKJDNV-UHFFFAOYSA-N 2 2 286.423 3.248 20 0 CGADLP C[C@H]1c2cccn2CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346133069 378473348 /nfs/dbraw/zinc/47/33/48/378473348.db2.gz MBWIXPYIZQUNLV-ZDUSSCGKSA-N 2 2 298.415 3.312 20 0 CGADLP C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346133069 378473356 /nfs/dbraw/zinc/47/33/56/378473356.db2.gz MBWIXPYIZQUNLV-ZDUSSCGKSA-N 2 2 298.415 3.312 20 0 CGADLP C[N@@H+](Cc1ccoc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346134739 378475005 /nfs/dbraw/zinc/47/50/05/378475005.db2.gz OAOSTXRQXXCUTC-UHFFFAOYSA-N 2 2 273.361 3.159 20 0 CGADLP C[N@H+](Cc1ccoc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346134739 378475011 /nfs/dbraw/zinc/47/50/11/378475011.db2.gz OAOSTXRQXXCUTC-UHFFFAOYSA-N 2 2 273.361 3.159 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346201375 378501880 /nfs/dbraw/zinc/50/18/80/378501880.db2.gz NETZVEWJEAWQBV-RYUDHWBXSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346201375 378501888 /nfs/dbraw/zinc/50/18/88/378501888.db2.gz NETZVEWJEAWQBV-RYUDHWBXSA-N 2 2 261.394 3.164 20 0 CGADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CCC1 ZINC000346202394 378502706 /nfs/dbraw/zinc/50/27/06/378502706.db2.gz IPIRIDQCKXZIHC-UHFFFAOYSA-N 2 2 293.480 3.284 20 0 CGADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CCC1 ZINC000346202394 378502711 /nfs/dbraw/zinc/50/27/11/378502711.db2.gz IPIRIDQCKXZIHC-UHFFFAOYSA-N 2 2 293.480 3.284 20 0 CGADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CCC1 ZINC000346202394 378502714 /nfs/dbraw/zinc/50/27/14/378502714.db2.gz IPIRIDQCKXZIHC-UHFFFAOYSA-N 2 2 293.480 3.284 20 0 CGADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CCC1 ZINC000346202394 378502722 /nfs/dbraw/zinc/50/27/22/378502722.db2.gz IPIRIDQCKXZIHC-UHFFFAOYSA-N 2 2 293.480 3.284 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346348107 378552916 /nfs/dbraw/zinc/55/29/16/378552916.db2.gz IPLARWLBEGXUOD-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346348107 378552924 /nfs/dbraw/zinc/55/29/24/378552924.db2.gz IPLARWLBEGXUOD-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1cccc(C[N@@H+](CCn2cc[nH+]c2)CC(C)C)c1 ZINC000346272378 378528846 /nfs/dbraw/zinc/52/88/46/378528846.db2.gz GWRLYJRILHDIDH-UHFFFAOYSA-N 2 2 271.408 3.350 20 0 CGADLP Cc1cccc(C[N@H+](CCn2cc[nH+]c2)CC(C)C)c1 ZINC000346272378 378528848 /nfs/dbraw/zinc/52/88/48/378528848.db2.gz GWRLYJRILHDIDH-UHFFFAOYSA-N 2 2 271.408 3.350 20 0 CGADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC000266129687 190232765 /nfs/dbraw/zinc/23/27/65/190232765.db2.gz CNQKBPUEUUZIDS-INIZCTEOSA-N 2 2 282.391 3.034 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346572583 378627881 /nfs/dbraw/zinc/62/78/81/378627881.db2.gz AUWBHDWPKVHTDP-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346572583 378627887 /nfs/dbraw/zinc/62/78/87/378627887.db2.gz AUWBHDWPKVHTDP-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346576653 378631005 /nfs/dbraw/zinc/63/10/05/378631005.db2.gz SQGGUWHABRUANG-QAPCUYQASA-N 2 2 299.418 3.482 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346491744 378594243 /nfs/dbraw/zinc/59/42/43/378594243.db2.gz HTBOPECNEDLPHQ-UKRRQHHQSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346491744 378594247 /nfs/dbraw/zinc/59/42/47/378594247.db2.gz HTBOPECNEDLPHQ-UKRRQHHQSA-N 2 2 286.350 3.435 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000346497000 378596064 /nfs/dbraw/zinc/59/60/64/378596064.db2.gz WWBCONQULUSUBY-PVAVHDDUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346506758 378598656 /nfs/dbraw/zinc/59/86/56/378598656.db2.gz QCVVETLKCNQSRN-DYVFJYSZSA-N 2 2 286.350 3.435 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)c[nH+]1 ZINC000638017103 378669559 /nfs/dbraw/zinc/66/95/59/378669559.db2.gz CCYANMNKDZDGCR-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)c[nH+]1 ZINC000638017103 378669563 /nfs/dbraw/zinc/66/95/63/378669563.db2.gz CCYANMNKDZDGCR-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697351 378679817 /nfs/dbraw/zinc/67/98/17/378679817.db2.gz CHZPPIKAZIRVNG-GPMSIDNRSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697351 378679822 /nfs/dbraw/zinc/67/98/22/378679822.db2.gz CHZPPIKAZIRVNG-GPMSIDNRSA-N 2 2 298.430 3.463 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Oc1ccccc1 ZINC000637953332 378644744 /nfs/dbraw/zinc/64/47/44/378644744.db2.gz PPAUDUWMHUNBHV-HNNXBMFYSA-N 2 2 299.418 3.447 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Oc1ccccc1 ZINC000637953332 378644747 /nfs/dbraw/zinc/64/47/47/378644747.db2.gz PPAUDUWMHUNBHV-HNNXBMFYSA-N 2 2 299.418 3.447 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CC2(SC)CC2)[NH+](C)C)cc1 ZINC000347960237 378740038 /nfs/dbraw/zinc/74/00/38/378740038.db2.gz PNVGPYXJJWOXKT-MRXNPFEDSA-N 2 2 292.492 3.337 20 0 CGADLP CC(C)c1csc([C@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000346967489 378702485 /nfs/dbraw/zinc/70/24/85/378702485.db2.gz CZOROPGLZFZGDA-LBPRGKRZSA-N 2 2 281.469 3.183 20 0 CGADLP CC(C)c1csc([C@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000346967489 378702486 /nfs/dbraw/zinc/70/24/86/378702486.db2.gz CZOROPGLZFZGDA-LBPRGKRZSA-N 2 2 281.469 3.183 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346793008 218015123 /nfs/dbraw/zinc/01/51/23/218015123.db2.gz DWSNYCYNLREIHW-ZQIUZPCESA-N 2 2 276.424 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346793008 218015126 /nfs/dbraw/zinc/01/51/26/218015126.db2.gz DWSNYCYNLREIHW-ZQIUZPCESA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000348099640 378792342 /nfs/dbraw/zinc/79/23/42/378792342.db2.gz CFYARGHTOZBFIG-IAGOWNOFSA-N 2 2 283.419 3.252 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000274217962 378793265 /nfs/dbraw/zinc/79/32/65/378793265.db2.gz YBQQOTBAQDQYHH-AWEZNQCLSA-N 2 2 287.432 3.335 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811708 /nfs/dbraw/zinc/81/17/08/378811708.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811712 /nfs/dbraw/zinc/81/17/12/378811712.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811717 /nfs/dbraw/zinc/81/17/17/378811717.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)c2ccccc2)C[C@H]1C ZINC000348142921 378811725 /nfs/dbraw/zinc/81/17/25/378811725.db2.gz ZQWJGJGMEKBNDG-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812104 /nfs/dbraw/zinc/81/21/04/378812104.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812108 /nfs/dbraw/zinc/81/21/08/378812108.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812111 /nfs/dbraw/zinc/81/21/11/378812111.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)c2ccccc2)C[C@@H]1C ZINC000348142918 378812117 /nfs/dbraw/zinc/81/21/17/378812117.db2.gz ZQWJGJGMEKBNDG-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)C(F)(F)F ZINC000348175865 378824186 /nfs/dbraw/zinc/82/41/86/378824186.db2.gz SJQIEZQNWLQTCN-LLVKDONJSA-N 2 2 260.303 3.111 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000274489996 378840714 /nfs/dbraw/zinc/84/07/14/378840714.db2.gz ZLDCMPIIAIPUME-ZDUSSCGKSA-N 2 2 275.421 3.173 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348242838 378858572 /nfs/dbraw/zinc/85/85/72/378858572.db2.gz LDCNAMBIRQPVJT-MSOLQXFVSA-N 2 2 272.436 3.112 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348283343 378884614 /nfs/dbraw/zinc/88/46/14/378884614.db2.gz BWBMJZDTYZQTKM-KBPBESRZSA-N 2 2 284.350 3.073 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)sn1 ZINC000638720504 378887119 /nfs/dbraw/zinc/88/71/19/378887119.db2.gz JRMIHZWHNYIJBP-UHFFFAOYSA-N 2 2 293.480 3.338 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638836548 378930104 /nfs/dbraw/zinc/93/01/04/378930104.db2.gz IAGYJXAEUMSYLO-IPYPFGDCSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638836548 378930107 /nfs/dbraw/zinc/93/01/07/378930107.db2.gz IAGYJXAEUMSYLO-IPYPFGDCSA-N 2 2 282.378 3.140 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347031537 218098175 /nfs/dbraw/zinc/09/81/75/218098175.db2.gz ADNALORZAWQKER-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347031537 218098178 /nfs/dbraw/zinc/09/81/78/218098178.db2.gz ADNALORZAWQKER-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000639041943 378978895 /nfs/dbraw/zinc/97/88/95/378978895.db2.gz QFZJVCFESLZOSX-QAPCUYQASA-N 2 2 297.402 3.132 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)on1 ZINC000639041943 378978901 /nfs/dbraw/zinc/97/89/01/378978901.db2.gz QFZJVCFESLZOSX-QAPCUYQASA-N 2 2 297.402 3.132 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000276809218 378999041 /nfs/dbraw/zinc/99/90/41/378999041.db2.gz NNSCYAYJSXUVBF-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000276809218 378999044 /nfs/dbraw/zinc/99/90/44/378999044.db2.gz NNSCYAYJSXUVBF-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000371068338 379102199 /nfs/dbraw/zinc/10/21/99/379102199.db2.gz GDQLBCIWJRRZBF-QGZVFWFLSA-N 2 2 283.419 3.421 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000347418280 218228419 /nfs/dbraw/zinc/22/84/19/218228419.db2.gz NOUGBYWMHUQGCA-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000278752126 194139012 /nfs/dbraw/zinc/13/90/12/194139012.db2.gz MUPABJLQSSWINH-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000278752126 194139015 /nfs/dbraw/zinc/13/90/15/194139015.db2.gz MUPABJLQSSWINH-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277342886 379135536 /nfs/dbraw/zinc/13/55/36/379135536.db2.gz WFJLZDRSTJIITC-CHWSQXEVSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277342886 379135544 /nfs/dbraw/zinc/13/55/44/379135544.db2.gz WFJLZDRSTJIITC-CHWSQXEVSA-N 2 2 282.378 3.442 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2CCC3(CC3)CC2)[nH+]1 ZINC000277455172 379162393 /nfs/dbraw/zinc/16/23/93/379162393.db2.gz GZTDZXKXRJSMSO-UHFFFAOYSA-N 2 2 255.365 3.147 20 0 CGADLP C[C@H](CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150767 379171848 /nfs/dbraw/zinc/17/18/48/379171848.db2.gz NGMXAKBDYJHXJJ-NVXWUHKLSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@H](CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150767 379171859 /nfs/dbraw/zinc/17/18/59/379171859.db2.gz NGMXAKBDYJHXJJ-NVXWUHKLSA-N 2 2 283.419 3.403 20 0 CGADLP Cc1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1C[NH+](C)C ZINC000639259348 379203173 /nfs/dbraw/zinc/20/31/73/379203173.db2.gz WKVRRBSCYMUWHZ-QGZVFWFLSA-N 2 2 298.434 3.353 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373061390 379217554 /nfs/dbraw/zinc/21/75/54/379217554.db2.gz WRALOMGUDNUFGJ-ZFWWWQNUSA-N 2 2 284.407 3.182 20 0 CGADLP Fc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(F)c1F ZINC000373496224 379290226 /nfs/dbraw/zinc/29/02/26/379290226.db2.gz OXVHMYNDKGCTFL-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000349366610 379251353 /nfs/dbraw/zinc/25/13/53/379251353.db2.gz JXVILCSLBNDMJT-UHFFFAOYSA-N 2 2 283.485 3.214 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000349366610 379251360 /nfs/dbraw/zinc/25/13/60/379251360.db2.gz JXVILCSLBNDMJT-UHFFFAOYSA-N 2 2 283.485 3.214 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000349371744 379256062 /nfs/dbraw/zinc/25/60/62/379256062.db2.gz UBZAJAPMYYHESS-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000349371744 379256070 /nfs/dbraw/zinc/25/60/70/379256070.db2.gz UBZAJAPMYYHESS-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000349384817 379263835 /nfs/dbraw/zinc/26/38/35/379263835.db2.gz PNGBYRHIMPFJGY-UHFFFAOYSA-N 2 2 295.427 3.209 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000349384817 379263841 /nfs/dbraw/zinc/26/38/41/379263841.db2.gz PNGBYRHIMPFJGY-UHFFFAOYSA-N 2 2 295.427 3.209 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373525079 379293609 /nfs/dbraw/zinc/29/36/09/379293609.db2.gz XDBCZNVKRXCETG-GRTSSRMGSA-N 2 2 293.480 3.427 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccoc2C)CC1 ZINC000639376210 379333168 /nfs/dbraw/zinc/33/31/68/379333168.db2.gz YDWGRGWXFJHASA-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000639375700 379333360 /nfs/dbraw/zinc/33/33/60/379333360.db2.gz AANQYCZUQDSHFE-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP c1csc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278276133 379335066 /nfs/dbraw/zinc/33/50/66/379335066.db2.gz APTJWHLVPWPBIL-KGLIPLIRSA-N 2 2 296.505 3.228 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000639473985 379418444 /nfs/dbraw/zinc/41/84/44/379418444.db2.gz QMHAPRDFZQJGOW-UHFFFAOYSA-N 2 2 262.388 3.084 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000639473985 379418454 /nfs/dbraw/zinc/41/84/54/379418454.db2.gz QMHAPRDFZQJGOW-UHFFFAOYSA-N 2 2 262.388 3.084 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC(F)F)c2)CC1 ZINC000350013019 379478173 /nfs/dbraw/zinc/47/81/73/379478173.db2.gz UEZOVCXPCOCLMG-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(F)F)c2)CC1 ZINC000350013019 379478183 /nfs/dbraw/zinc/47/81/83/379478183.db2.gz UEZOVCXPCOCLMG-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CCn1cc([C@H](C)[NH2+]Cc2c(C)cc(C)[nH+]c2C)cn1 ZINC000639665553 379539089 /nfs/dbraw/zinc/53/90/89/379539089.db2.gz MRTSHOGUEIYSLZ-ZDUSSCGKSA-N 2 2 272.396 3.074 20 0 CGADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1Cl ZINC000376728611 379595544 /nfs/dbraw/zinc/59/55/44/379595544.db2.gz LNTCFAIDJNUPMD-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381219 379694171 /nfs/dbraw/zinc/69/41/71/379694171.db2.gz UFUGIHYDQIAFNP-UKRRQHHQSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381219 379694176 /nfs/dbraw/zinc/69/41/76/379694176.db2.gz UFUGIHYDQIAFNP-UKRRQHHQSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381219 379694186 /nfs/dbraw/zinc/69/41/86/379694186.db2.gz UFUGIHYDQIAFNP-UKRRQHHQSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC000280381219 379694188 /nfs/dbraw/zinc/69/41/88/379694188.db2.gz UFUGIHYDQIAFNP-UKRRQHHQSA-N 2 2 280.362 3.150 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377398708 379671212 /nfs/dbraw/zinc/67/12/12/379671212.db2.gz JWKMPWSHPYDFFR-SOUVJXGZSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377398708 379671221 /nfs/dbraw/zinc/67/12/21/379671221.db2.gz JWKMPWSHPYDFFR-SOUVJXGZSA-N 2 2 275.440 3.462 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377410922 379676333 /nfs/dbraw/zinc/67/63/33/379676333.db2.gz KNUBFXDJXNZGIW-DZGCQCFKSA-N 2 2 299.418 3.407 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377410922 379676343 /nfs/dbraw/zinc/67/63/43/379676343.db2.gz KNUBFXDJXNZGIW-DZGCQCFKSA-N 2 2 299.418 3.407 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000377790616 379740716 /nfs/dbraw/zinc/74/07/16/379740716.db2.gz XIQRTZVGYRKHPE-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000377790616 379740721 /nfs/dbraw/zinc/74/07/21/379740721.db2.gz XIQRTZVGYRKHPE-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000377627639 379709146 /nfs/dbraw/zinc/70/91/46/379709146.db2.gz QCWQCZQFSKGTQJ-QZTJIDSGSA-N 2 2 288.435 3.117 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000347755831 218346085 /nfs/dbraw/zinc/34/60/85/218346085.db2.gz YQEJFJFTYKGVQE-UKRRQHHQSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](c2ccco2)C1 ZINC000347755831 218346088 /nfs/dbraw/zinc/34/60/88/218346088.db2.gz YQEJFJFTYKGVQE-UKRRQHHQSA-N 2 2 273.380 3.029 20 0 CGADLP CCCCOCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352349194 379774201 /nfs/dbraw/zinc/77/42/01/379774201.db2.gz JKTFCCPDRICRGB-UHFFFAOYSA-N 2 2 292.423 3.050 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc2ccc(F)cc2s1 ZINC000352539637 379849603 /nfs/dbraw/zinc/84/96/03/379849603.db2.gz BKGBTYRUYILNMO-GFCCVEGCSA-N 2 2 293.411 3.139 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc2ccc(F)cc2s1 ZINC000352539637 379849611 /nfs/dbraw/zinc/84/96/11/379849611.db2.gz BKGBTYRUYILNMO-GFCCVEGCSA-N 2 2 293.411 3.139 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452061 379820670 /nfs/dbraw/zinc/82/06/70/379820670.db2.gz AQEHNYJMSDPYDW-IUODEOHRSA-N 2 2 274.433 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452061 379820672 /nfs/dbraw/zinc/82/06/72/379820672.db2.gz AQEHNYJMSDPYDW-IUODEOHRSA-N 2 2 274.433 3.331 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)n21 ZINC000352726009 379927261 /nfs/dbraw/zinc/92/72/61/379927261.db2.gz OOHYMUZIYAKDHU-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCC[C@H]4CCC[C@H]43)n21 ZINC000352726009 379927266 /nfs/dbraw/zinc/92/72/66/379927266.db2.gz OOHYMUZIYAKDHU-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000389556004 379900748 /nfs/dbraw/zinc/90/07/48/379900748.db2.gz RLJHNGNRXKOGOG-NSHDSACASA-N 2 2 273.207 3.177 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000389556004 379900753 /nfs/dbraw/zinc/90/07/53/379900753.db2.gz RLJHNGNRXKOGOG-NSHDSACASA-N 2 2 273.207 3.177 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000389849512 379902767 /nfs/dbraw/zinc/90/27/67/379902767.db2.gz UDOKMIUNJQCEJG-HYVNUMGLSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000389849512 379902773 /nfs/dbraw/zinc/90/27/73/379902773.db2.gz UDOKMIUNJQCEJG-HYVNUMGLSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352812146 379975678 /nfs/dbraw/zinc/97/56/78/379975678.db2.gz ZLCIHCXDPMJECT-QAPCUYQASA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352812146 379975680 /nfs/dbraw/zinc/97/56/80/379975680.db2.gz ZLCIHCXDPMJECT-QAPCUYQASA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032479 379932734 /nfs/dbraw/zinc/93/27/34/379932734.db2.gz MLERZLBVDIDCCM-GYSYKLTISA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344241 379949409 /nfs/dbraw/zinc/94/94/09/379949409.db2.gz JVMUQVUQWVMFFS-GYSYKLTISA-N 2 2 252.789 3.131 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400452330 379951143 /nfs/dbraw/zinc/95/11/43/379951143.db2.gz RLOASKLGLVUWDK-VBQJREDUSA-N 2 2 276.424 3.265 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000352790601 379961761 /nfs/dbraw/zinc/96/17/61/379961761.db2.gz UXGUEPTYKRYYAM-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000352790601 379961766 /nfs/dbraw/zinc/96/17/66/379961766.db2.gz UXGUEPTYKRYYAM-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000641753531 380078669 /nfs/dbraw/zinc/07/86/69/380078669.db2.gz JEYDXXGAPTUPEX-UONOGXRCSA-N 2 2 261.413 3.278 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C2 ZINC000641779526 380094483 /nfs/dbraw/zinc/09/44/83/380094483.db2.gz NBBKZYRXQQPBPO-YJBOKZPZSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)CC2 ZINC000641779526 380094489 /nfs/dbraw/zinc/09/44/89/380094489.db2.gz NBBKZYRXQQPBPO-YJBOKZPZSA-N 2 2 281.403 3.398 20 0 CGADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268110164 190377809 /nfs/dbraw/zinc/37/78/09/190377809.db2.gz MBFCTTYLLDVQIM-YOEHRIQHSA-N 2 2 269.392 3.210 20 0 CGADLP CSCc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000353067841 380100789 /nfs/dbraw/zinc/10/07/89/380100789.db2.gz ZPKQTRDLFRIUQO-UHFFFAOYSA-N 2 2 297.427 3.487 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000641798125 380111702 /nfs/dbraw/zinc/11/17/02/380111702.db2.gz KNAVJAGCHAXXGI-QGZVFWFLSA-N 2 2 287.407 3.113 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000286237791 380180992 /nfs/dbraw/zinc/18/09/92/380180992.db2.gz FCSGFCIDWPCPAU-IBGZPJMESA-N 2 2 293.414 3.184 20 0 CGADLP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000286237791 380181001 /nfs/dbraw/zinc/18/10/01/380181001.db2.gz FCSGFCIDWPCPAU-IBGZPJMESA-N 2 2 293.414 3.184 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCCC2 ZINC000353248467 380188445 /nfs/dbraw/zinc/18/84/45/380188445.db2.gz KLHCVBPOFZICCR-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCCC2 ZINC000353248467 380188448 /nfs/dbraw/zinc/18/84/48/380188448.db2.gz KLHCVBPOFZICCR-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000353250263 380188633 /nfs/dbraw/zinc/18/86/33/380188633.db2.gz BYRWINRZMCJKDX-RHSMWYFYSA-N 2 2 290.451 3.033 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000353250263 380188640 /nfs/dbraw/zinc/18/86/40/380188640.db2.gz BYRWINRZMCJKDX-RHSMWYFYSA-N 2 2 290.451 3.033 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000414112811 380192459 /nfs/dbraw/zinc/19/24/59/380192459.db2.gz NKKRJYBRXNXISD-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000414112811 380192467 /nfs/dbraw/zinc/19/24/67/380192467.db2.gz NKKRJYBRXNXISD-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP CCc1ccc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000353263217 380196198 /nfs/dbraw/zinc/19/61/98/380196198.db2.gz SUXKQPJCVGZJHE-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000353263217 380196204 /nfs/dbraw/zinc/19/62/04/380196204.db2.gz SUXKQPJCVGZJHE-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000353280920 380200811 /nfs/dbraw/zinc/20/08/11/380200811.db2.gz XCEZYUJXVSFONO-DYVFJYSZSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000353280920 380200819 /nfs/dbraw/zinc/20/08/19/380200819.db2.gz XCEZYUJXVSFONO-DYVFJYSZSA-N 2 2 288.435 3.101 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](C)C1CCCCC1 ZINC000414371175 380217189 /nfs/dbraw/zinc/21/71/89/380217189.db2.gz WARPZNGQQJOYOA-KGLIPLIRSA-N 2 2 292.471 3.181 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)c[nH+]1 ZINC000353929447 380240660 /nfs/dbraw/zinc/24/06/60/380240660.db2.gz MMBWOERQHVBIDK-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)c[nH+]1 ZINC000353929452 380241160 /nfs/dbraw/zinc/24/11/60/380241160.db2.gz MMBWOERQHVBIDK-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cn1 ZINC000354086433 380316513 /nfs/dbraw/zinc/31/65/13/380316513.db2.gz PSACYEQHGUWMID-QGZVFWFLSA-N 2 2 293.430 3.380 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501102 380323481 /nfs/dbraw/zinc/32/34/81/380323481.db2.gz USKKYBXRDPCJFO-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000643502238 380324758 /nfs/dbraw/zinc/32/47/58/380324758.db2.gz ASVCFFALNFKSFP-SUMWQHHRSA-N 2 2 258.409 3.357 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000643505900 380326414 /nfs/dbraw/zinc/32/64/14/380326414.db2.gz CSHICZSHYMUKKB-VIFPVBQESA-N 2 2 273.207 3.396 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643507216 380330588 /nfs/dbraw/zinc/33/05/88/380330588.db2.gz WCYKPMAOSYVEDN-SFHVURJKSA-N 2 2 288.435 3.268 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)on1 ZINC000643455022 380308652 /nfs/dbraw/zinc/30/86/52/380308652.db2.gz TXCBYYCZRJOOOM-OWCLPIDISA-N 2 2 291.439 3.198 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000414683615 380370737 /nfs/dbraw/zinc/37/07/37/380370737.db2.gz BRAMNKICVMECOW-OAHLLOKOSA-N 2 2 294.414 3.042 20 0 CGADLP COc1cc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)ccc1SC ZINC000414689996 380374061 /nfs/dbraw/zinc/37/40/61/380374061.db2.gz HDUZXEHRASEUER-CQSZACIVSA-N 2 2 296.480 3.222 20 0 CGADLP COc1cc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)ccc1SC ZINC000414689996 380374068 /nfs/dbraw/zinc/37/40/68/380374068.db2.gz HDUZXEHRASEUER-CQSZACIVSA-N 2 2 296.480 3.222 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2s1 ZINC000414769439 380396159 /nfs/dbraw/zinc/39/61/59/380396159.db2.gz NLKXVAJNVKLAOG-RISCZKNCSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2s1 ZINC000414769439 380396166 /nfs/dbraw/zinc/39/61/66/380396166.db2.gz NLKXVAJNVKLAOG-RISCZKNCSA-N 2 2 289.448 3.164 20 0 CGADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000354270789 380380787 /nfs/dbraw/zinc/38/07/87/380380787.db2.gz HNLKMRRNBDSISV-UHFFFAOYSA-N 2 2 265.360 3.359 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)c(F)c1 ZINC000643525236 380340804 /nfs/dbraw/zinc/34/08/04/380340804.db2.gz LEMRSKQKDSHJGK-PKFCDNJMSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643536278 380352249 /nfs/dbraw/zinc/35/22/49/380352249.db2.gz PLXAHJZRSIFFAA-XDTLVQLUSA-N 2 2 290.304 3.056 20 0 CGADLP CCSc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000414653306 380352999 /nfs/dbraw/zinc/35/29/99/380352999.db2.gz HWADSICATAZTSK-AWEZNQCLSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000414653306 380353003 /nfs/dbraw/zinc/35/30/03/380353003.db2.gz HWADSICATAZTSK-AWEZNQCLSA-N 2 2 264.438 3.112 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538527 380355655 /nfs/dbraw/zinc/35/56/55/380355655.db2.gz MICYGYJBDOMWSP-WRFANHODSA-N 2 2 276.399 3.161 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538845 380356397 /nfs/dbraw/zinc/35/63/97/380356397.db2.gz XOTUBLKBZXJIHU-OFQRWUPVSA-N 2 2 296.455 3.093 20 0 CGADLP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000354195087 380360226 /nfs/dbraw/zinc/36/02/26/380360226.db2.gz YRMVVSLHGUTKBR-IAGOWNOFSA-N 2 2 299.418 3.167 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414833780 380441971 /nfs/dbraw/zinc/44/19/71/380441971.db2.gz QEAYQTLUJBLLIU-GOSISDBHSA-N 2 2 284.403 3.265 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414833781 380442418 /nfs/dbraw/zinc/44/24/18/380442418.db2.gz QEAYQTLUJBLLIU-SFHVURJKSA-N 2 2 284.403 3.265 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414838739 380446151 /nfs/dbraw/zinc/44/61/51/380446151.db2.gz VQCFRIRBGWMDFV-KRWDZBQOSA-N 2 2 254.377 3.039 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2Cl)CCCCC1 ZINC000414846459 380451282 /nfs/dbraw/zinc/45/12/82/380451282.db2.gz SLOILSOEGSGESE-UHFFFAOYSA-N 2 2 252.789 3.091 20 0 CGADLP COc1cc(C)[nH+]c(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000414854831 380455303 /nfs/dbraw/zinc/45/53/03/380455303.db2.gz UTQRXNVEXHLNBB-UHFFFAOYSA-N 2 2 283.375 3.369 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H]([NH3+])C(C)C)cs2)cc1 ZINC000414790301 380407159 /nfs/dbraw/zinc/40/71/59/380407159.db2.gz GJKKDMDOVPTVCF-OAHLLOKOSA-N 2 2 289.448 3.191 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414806458 380418843 /nfs/dbraw/zinc/41/88/43/380418843.db2.gz BTHIYFJZDGLIFE-CYBMUJFWSA-N 2 2 292.320 3.452 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414810747 380422594 /nfs/dbraw/zinc/42/25/94/380422594.db2.gz ILWXECYJDFXNGV-ZDUSSCGKSA-N 2 2 276.380 3.049 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414942856 380499729 /nfs/dbraw/zinc/49/97/29/380499729.db2.gz CGWZFHDMPOXHQJ-SMDDNHRTSA-N 2 2 286.341 3.194 20 0 CGADLP Cc1ccc(CCCN(C)CC[NH+](C(C)C)C(C)C)c[nH+]1 ZINC000354621579 380505417 /nfs/dbraw/zinc/50/54/17/380505417.db2.gz AIMWCAZJFQQSSP-UHFFFAOYSA-N 2 2 291.483 3.373 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415086706 380507790 /nfs/dbraw/zinc/50/77/90/380507790.db2.gz SNLRNFCMQKDUIA-ZJUUUORDSA-N 2 2 273.207 3.048 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCN(C)C)C2CCCC2)c[nH+]1 ZINC000354642005 380509709 /nfs/dbraw/zinc/50/97/09/380509709.db2.gz DEVJUSNTLHYXLK-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+](CCN(C)C)C2CCCC2)c[nH+]1 ZINC000354642005 380509712 /nfs/dbraw/zinc/50/97/12/380509712.db2.gz DEVJUSNTLHYXLK-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)c2ccccn2)c[nH+]1 ZINC000354646171 380512756 /nfs/dbraw/zinc/51/27/56/380512756.db2.gz HYFWIHGRGKEFJD-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)c2ccccn2)c[nH+]1 ZINC000354646171 380512763 /nfs/dbraw/zinc/51/27/63/380512763.db2.gz HYFWIHGRGKEFJD-HNNXBMFYSA-N 2 2 269.392 3.411 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414862840 380463449 /nfs/dbraw/zinc/46/34/49/380463449.db2.gz BATLUVFVOUEWHW-UHFFFAOYSA-N 2 2 289.448 3.208 20 0 CGADLP c1ccc(Sc2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000414888733 380475391 /nfs/dbraw/zinc/47/53/91/380475391.db2.gz SKYFRZGAOXFRJM-OAHLLOKOSA-N 2 2 284.428 3.289 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(-c2ccncc2)c1 ZINC000417355467 380606006 /nfs/dbraw/zinc/60/60/06/380606006.db2.gz NRTIMQJNJZWFSG-OAHLLOKOSA-N 2 2 295.430 3.493 20 0 CGADLP c1cn(CCCC2CC[NH+](CC3=CCCC3)CC2)c[nH+]1 ZINC000645852955 380752115 /nfs/dbraw/zinc/75/21/15/380752115.db2.gz GIDMQRVPVKMOLC-UHFFFAOYSA-N 2 2 273.424 3.486 20 0 CGADLP C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000645852089 380752131 /nfs/dbraw/zinc/75/21/31/380752131.db2.gz JAINDRGFXJDNOS-HOTGVXAUSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C2CC2)cc1 ZINC000419326425 380803145 /nfs/dbraw/zinc/80/31/45/380803145.db2.gz CFCBBABSMZLYLQ-CYBMUJFWSA-N 2 2 255.365 3.111 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339017 380883690 /nfs/dbraw/zinc/88/36/90/380883690.db2.gz FHJMKUWLGHBEGJ-XJKSGUPXSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339017 380883700 /nfs/dbraw/zinc/88/37/00/380883700.db2.gz FHJMKUWLGHBEGJ-XJKSGUPXSA-N 2 2 262.441 3.172 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000356886690 380919754 /nfs/dbraw/zinc/91/97/54/380919754.db2.gz YEPSKHMPVBJNNO-GOEBONIOSA-N 2 2 298.434 3.377 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]c2c(OC)cccc12 ZINC000357238982 381081059 /nfs/dbraw/zinc/08/10/59/381081059.db2.gz OGHIGFMAZUXUGH-CYBMUJFWSA-N 2 2 287.407 3.386 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c2c(OC)cccc12 ZINC000357238982 381081066 /nfs/dbraw/zinc/08/10/66/381081066.db2.gz OGHIGFMAZUXUGH-CYBMUJFWSA-N 2 2 287.407 3.386 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358135468 381292583 /nfs/dbraw/zinc/29/25/83/381292583.db2.gz RQLSLYAJNUQEKU-NPSOMJIGSA-N 2 2 270.420 3.450 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000358135468 381292589 /nfs/dbraw/zinc/29/25/89/381292589.db2.gz RQLSLYAJNUQEKU-NPSOMJIGSA-N 2 2 270.420 3.450 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000360574704 381581792 /nfs/dbraw/zinc/58/17/92/381581792.db2.gz PKTIPYDHCZSVCH-IIYDPXPESA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000360574704 381581801 /nfs/dbraw/zinc/58/18/01/381581801.db2.gz PKTIPYDHCZSVCH-IIYDPXPESA-N 2 2 276.399 3.133 20 0 CGADLP Cc1cccc2c(NCCNc3cccc[nH+]3)c(C)c[nH+]c12 ZINC000360593747 381586366 /nfs/dbraw/zinc/58/63/66/381586366.db2.gz AGGVQMQTLKCJPD-UHFFFAOYSA-N 2 2 292.386 3.193 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221160737 542287939 /nfs/dbraw/zinc/28/79/39/542287939.db2.gz TXDXNOOMBXVNFS-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221160737 542287940 /nfs/dbraw/zinc/28/79/40/542287940.db2.gz TXDXNOOMBXVNFS-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221165263 542287942 /nfs/dbraw/zinc/28/79/42/542287942.db2.gz NOJCNWKZBYKMBS-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221165263 542287943 /nfs/dbraw/zinc/28/79/43/542287943.db2.gz NOJCNWKZBYKMBS-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP c1cc(CCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000360970875 381638270 /nfs/dbraw/zinc/63/82/70/381638270.db2.gz VRNMBTPSAZXSFG-UHFFFAOYSA-N 2 2 275.421 3.283 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cncc(F)c1 ZINC000361495845 381775312 /nfs/dbraw/zinc/77/53/12/381775312.db2.gz HQVLKNWYVLPALV-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000362505285 382023420 /nfs/dbraw/zinc/02/34/20/382023420.db2.gz MFMTZLLOACQVIH-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000362505285 382023433 /nfs/dbraw/zinc/02/34/33/382023433.db2.gz MFMTZLLOACQVIH-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(Cl)c2)CC1 ZINC000362508802 382026134 /nfs/dbraw/zinc/02/61/34/382026134.db2.gz HMGHDSQGSKIAPD-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(Cl)c2)CC1 ZINC000362508802 382026135 /nfs/dbraw/zinc/02/61/35/382026135.db2.gz HMGHDSQGSKIAPD-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362911754 382144323 /nfs/dbraw/zinc/14/43/23/382144323.db2.gz DEDONKVNIPLUCO-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362911754 382144329 /nfs/dbraw/zinc/14/43/29/382144329.db2.gz DEDONKVNIPLUCO-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+](C)C ZINC000362924872 382150332 /nfs/dbraw/zinc/15/03/32/382150332.db2.gz QIIAHRMOBWZQKM-HNNXBMFYSA-N 2 2 252.446 3.275 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000363513539 382230242 /nfs/dbraw/zinc/23/02/42/382230242.db2.gz DUNGQLAQBUREDE-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000363513539 382230246 /nfs/dbraw/zinc/23/02/46/382230246.db2.gz DUNGQLAQBUREDE-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000235075151 542309963 /nfs/dbraw/zinc/30/99/63/542309963.db2.gz WYECASNQHRQPGM-TZMCWYRMSA-N 2 2 264.438 3.201 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000235224402 542310788 /nfs/dbraw/zinc/31/07/88/542310788.db2.gz YONFNHPUZBUNOH-OCCSQVGLSA-N 2 2 258.365 3.226 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368257682 382368237 /nfs/dbraw/zinc/36/82/37/382368237.db2.gz GYWAGZHPDRNFFV-CYBMUJFWSA-N 2 2 289.810 3.327 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368257682 382368244 /nfs/dbraw/zinc/36/82/44/382368244.db2.gz GYWAGZHPDRNFFV-CYBMUJFWSA-N 2 2 289.810 3.327 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423454656 532974861 /nfs/dbraw/zinc/97/48/61/532974861.db2.gz ZIMXZSJYFSAHTN-QYNIQEEDSA-N 2 2 267.225 3.441 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423433939 532974996 /nfs/dbraw/zinc/97/49/96/532974996.db2.gz COSZQOFTVSQMCH-VXGBXAGGSA-N 2 2 290.357 3.380 20 0 CGADLP Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000335403923 208382941 /nfs/dbraw/zinc/38/29/41/208382941.db2.gz GPBUCULRRLJUSJ-GFCCVEGCSA-N 2 2 291.782 3.148 20 0 CGADLP Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000335403923 208382943 /nfs/dbraw/zinc/38/29/43/208382943.db2.gz GPBUCULRRLJUSJ-GFCCVEGCSA-N 2 2 291.782 3.148 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747388 220299093 /nfs/dbraw/zinc/29/90/93/220299093.db2.gz MCQMRTYDOFPVMJ-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747388 220299099 /nfs/dbraw/zinc/29/90/99/220299099.db2.gz MCQMRTYDOFPVMJ-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747388 220299103 /nfs/dbraw/zinc/29/91/03/220299103.db2.gz MCQMRTYDOFPVMJ-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747388 220299107 /nfs/dbraw/zinc/29/91/07/220299107.db2.gz MCQMRTYDOFPVMJ-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1ccsc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289357014 197310465 /nfs/dbraw/zinc/31/04/65/197310465.db2.gz YFSMMVKOUWRIQZ-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285708807 542389024 /nfs/dbraw/zinc/38/90/24/542389024.db2.gz OSCZNKSHMMJPRN-YOEHRIQHSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285708807 542389026 /nfs/dbraw/zinc/38/90/26/542389026.db2.gz OSCZNKSHMMJPRN-YOEHRIQHSA-N 2 2 269.392 3.275 20 0 CGADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289234783 197269986 /nfs/dbraw/zinc/26/99/86/197269986.db2.gz DHFZFAVMNNTUQO-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289234783 197269988 /nfs/dbraw/zinc/26/99/88/197269988.db2.gz DHFZFAVMNNTUQO-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289234783 197269989 /nfs/dbraw/zinc/26/99/89/197269989.db2.gz DHFZFAVMNNTUQO-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1cc(F)c(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289234783 197269991 /nfs/dbraw/zinc/26/99/91/197269991.db2.gz DHFZFAVMNNTUQO-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000353851077 220365984 /nfs/dbraw/zinc/36/59/84/220365984.db2.gz RHRJWSFFKMBITQ-QZTJIDSGSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC000353851077 220365985 /nfs/dbraw/zinc/36/59/85/220365985.db2.gz RHRJWSFFKMBITQ-QZTJIDSGSA-N 2 2 288.435 3.071 20 0 CGADLP CCCCOCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289193884 197258601 /nfs/dbraw/zinc/25/86/01/197258601.db2.gz HBSFBBSVBJDRHY-UHFFFAOYSA-N 2 2 264.413 3.119 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000281204602 195148280 /nfs/dbraw/zinc/14/82/80/195148280.db2.gz KLDJRHAUFVKGHK-IAGOWNOFSA-N 2 2 287.451 3.102 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359597510 285288306 /nfs/dbraw/zinc/28/83/06/285288306.db2.gz ZGPLUQOGPHJNLZ-DZGCQCFKSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359597510 285288308 /nfs/dbraw/zinc/28/83/08/285288308.db2.gz ZGPLUQOGPHJNLZ-DZGCQCFKSA-N 2 2 276.424 3.367 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000348078885 542514223 /nfs/dbraw/zinc/51/42/23/542514223.db2.gz FOHANGCBXVUIAF-ROUUACIJSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353677687 542560523 /nfs/dbraw/zinc/56/05/23/542560523.db2.gz YXLZPXYHXGTXMZ-LZWOXQAQSA-N 2 2 286.423 3.060 20 0 CGADLP COCCCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084018955 533232558 /nfs/dbraw/zinc/23/25/58/533232558.db2.gz CATMAAVPIUYQGE-UHFFFAOYSA-N 2 2 287.407 3.087 20 0 CGADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000366272907 533392332 /nfs/dbraw/zinc/39/23/32/533392332.db2.gz QYLYQJZNPXMUKO-OUAUKWLOSA-N 2 2 272.845 3.045 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423313815 533411840 /nfs/dbraw/zinc/41/18/40/533411840.db2.gz GCGJCQZRWBSRPD-PRHODGIISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599305 533419991 /nfs/dbraw/zinc/41/99/91/533419991.db2.gz WGEFWGKUZJLNIQ-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599305 533419993 /nfs/dbraw/zinc/41/99/93/533419993.db2.gz WGEFWGKUZJLNIQ-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423319066 533429929 /nfs/dbraw/zinc/42/99/29/533429929.db2.gz LNUCKSGVXIOQIK-RNCFNFMXSA-N 2 2 278.783 3.474 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423313814 533431627 /nfs/dbraw/zinc/43/16/27/533431627.db2.gz GCGJCQZRWBSRPD-PELKAZGASA-N 2 2 273.207 3.381 20 0 CGADLP Cc1ccc2[nH+]ccc(NCCc3cccc(C)[nH+]3)c2c1 ZINC000359833914 542580836 /nfs/dbraw/zinc/58/08/36/542580836.db2.gz GHCQSZNTCFQAHY-UHFFFAOYSA-N 2 2 277.371 3.323 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449109671 533572860 /nfs/dbraw/zinc/57/28/60/533572860.db2.gz XHLNTIAEDAFIPB-JOYOIKCWSA-N 2 2 286.341 3.021 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cs1 ZINC000449008474 533592751 /nfs/dbraw/zinc/59/27/51/533592751.db2.gz DUAHHASOWIZVLM-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000381054749 542596286 /nfs/dbraw/zinc/59/62/86/542596286.db2.gz LBVCAPGMEGVUHN-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000381054749 542596290 /nfs/dbraw/zinc/59/62/90/542596290.db2.gz LBVCAPGMEGVUHN-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189892954 130036909 /nfs/dbraw/zinc/03/69/09/130036909.db2.gz HPFMYAYQLOORNS-WMLDXEAASA-N 2 2 285.391 3.092 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000385527791 542602546 /nfs/dbraw/zinc/60/25/46/542602546.db2.gz QRLRWNMJGJOCKX-TZMCWYRMSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000385527791 542602548 /nfs/dbraw/zinc/60/25/48/542602548.db2.gz QRLRWNMJGJOCKX-TZMCWYRMSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000389193433 542606357 /nfs/dbraw/zinc/60/63/57/542606357.db2.gz WCMGBLRZYJBMMY-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(F)c2)C1 ZINC000389193433 542606359 /nfs/dbraw/zinc/60/63/59/542606359.db2.gz WCMGBLRZYJBMMY-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccsc2)C1 ZINC000389130381 542607377 /nfs/dbraw/zinc/60/73/77/542607377.db2.gz DZRMUOYUHHDENB-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccsc2)C1 ZINC000389130381 542607380 /nfs/dbraw/zinc/60/73/80/542607380.db2.gz DZRMUOYUHHDENB-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485533 542608629 /nfs/dbraw/zinc/60/86/29/542608629.db2.gz YKXLYCLMKCDSGQ-DOTOQJQBSA-N 2 2 290.451 3.090 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485533 542608632 /nfs/dbraw/zinc/60/86/32/542608632.db2.gz YKXLYCLMKCDSGQ-DOTOQJQBSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C ZINC000389790473 542610144 /nfs/dbraw/zinc/61/01/44/542610144.db2.gz PLOWQDHFBFUHPP-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C ZINC000389790473 542610148 /nfs/dbraw/zinc/61/01/48/542610148.db2.gz PLOWQDHFBFUHPP-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP Cc1ccc[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000191516014 130248287 /nfs/dbraw/zinc/24/82/87/130248287.db2.gz ZFJGZXMRLXJWMG-UHFFFAOYSA-N 2 2 270.380 3.242 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414829610 542639698 /nfs/dbraw/zinc/63/96/98/542639698.db2.gz MWBNLSPAWQYQGT-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP FC(F)C1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000282037661 392274873 /nfs/dbraw/zinc/27/48/73/392274873.db2.gz UJCLISVGFMMPMC-UHFFFAOYSA-N 2 2 293.361 3.290 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000108368590 392342664 /nfs/dbraw/zinc/34/26/64/392342664.db2.gz IONKYCXCNGBVEA-UHFFFAOYSA-N 2 2 298.377 3.250 20 0 CGADLP C[C@H](CC[N@@H+]1CCC[C@](C)(F)C1)[NH+]1CCC[C@@](C)(F)C1 ZINC000451111182 542674384 /nfs/dbraw/zinc/67/43/84/542674384.db2.gz DOKFIMANCXQPII-OWCLPIDISA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[N@H+]1CCC[C@](C)(F)C1)[NH+]1CCC[C@@](C)(F)C1 ZINC000451111182 542674387 /nfs/dbraw/zinc/67/43/87/542674387.db2.gz DOKFIMANCXQPII-OWCLPIDISA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@](C)(F)C1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451111182 542674391 /nfs/dbraw/zinc/67/43/91/542674391.db2.gz DOKFIMANCXQPII-OWCLPIDISA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@](C)(F)C1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451111182 542674396 /nfs/dbraw/zinc/67/43/96/542674396.db2.gz DOKFIMANCXQPII-OWCLPIDISA-N 2 2 288.426 3.413 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361967073 392377196 /nfs/dbraw/zinc/37/71/96/392377196.db2.gz PSXPDSVFTVCBTQ-JKSUJKDBSA-N 2 2 278.465 3.165 20 0 CGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000453395253 542682586 /nfs/dbraw/zinc/68/25/86/542682586.db2.gz UCPPHDPJHUXMTC-NVXWUHKLSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000453395253 542682588 /nfs/dbraw/zinc/68/25/88/542682588.db2.gz UCPPHDPJHUXMTC-NVXWUHKLSA-N 2 2 299.418 3.162 20 0 CGADLP c1coc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+]2CCCC2)c1 ZINC000110113685 392378551 /nfs/dbraw/zinc/37/85/51/392378551.db2.gz TZPQRDSPNPIVEN-AWEZNQCLSA-N 2 2 298.390 3.196 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287327038 392395670 /nfs/dbraw/zinc/39/56/70/392395670.db2.gz MCHCUWUDGTWWED-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287327038 392395675 /nfs/dbraw/zinc/39/56/75/392395675.db2.gz MCHCUWUDGTWWED-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP CC[N@H+](C)[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000264070598 131390154 /nfs/dbraw/zinc/39/01/54/131390154.db2.gz XPQZTYLOUDKMNR-MRXNPFEDSA-N 2 2 283.375 3.022 20 0 CGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000264070598 131390156 /nfs/dbraw/zinc/39/01/56/131390156.db2.gz XPQZTYLOUDKMNR-MRXNPFEDSA-N 2 2 283.375 3.022 20 0 CGADLP CCC[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291504609 392461354 /nfs/dbraw/zinc/46/13/54/392461354.db2.gz HRBILLSEGHSLGU-INIZCTEOSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291504609 392461360 /nfs/dbraw/zinc/46/13/60/392461360.db2.gz HRBILLSEGHSLGU-INIZCTEOSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)C[N@@H+]1C1CC1 ZINC000132639136 392461690 /nfs/dbraw/zinc/46/16/90/392461690.db2.gz LXMBAYPFMJVPPE-VNHYZAJKSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC2(C)C)C[N@H+]1C1CC1 ZINC000132639136 392461699 /nfs/dbraw/zinc/46/16/99/392461699.db2.gz LXMBAYPFMJVPPE-VNHYZAJKSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103240 392486781 /nfs/dbraw/zinc/48/67/81/392486781.db2.gz UGWICGXYTAKOBC-HZPDHXFCSA-N 2 2 283.419 3.186 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103240 392486783 /nfs/dbraw/zinc/48/67/83/392486783.db2.gz UGWICGXYTAKOBC-HZPDHXFCSA-N 2 2 283.419 3.186 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100311 392486870 /nfs/dbraw/zinc/48/68/70/392486870.db2.gz HPZJJEPZNKYMNH-OCCSQVGLSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100311 392486872 /nfs/dbraw/zinc/48/68/72/392486872.db2.gz HPZJJEPZNKYMNH-OCCSQVGLSA-N 2 2 287.794 3.198 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000151916114 392489779 /nfs/dbraw/zinc/48/97/79/392489779.db2.gz DAJYSKFSMDMWEV-AWEZNQCLSA-N 2 2 284.831 3.341 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000370062854 392503351 /nfs/dbraw/zinc/50/33/51/392503351.db2.gz MSMCEAFUXCTSAX-CGZBRXJRSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccsc2S1 ZINC000313279635 392665397 /nfs/dbraw/zinc/66/53/97/392665397.db2.gz HXPPQGVRIJJSCR-GWCFXTLKSA-N 2 2 293.461 3.239 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352187 392625409 /nfs/dbraw/zinc/62/54/09/392625409.db2.gz NUPASZFFPZPQBV-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352187 392625413 /nfs/dbraw/zinc/62/54/13/392625413.db2.gz NUPASZFFPZPQBV-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372724182 392629567 /nfs/dbraw/zinc/62/95/67/392629567.db2.gz FBMLNZKARHKLSV-NSHDSACASA-N 2 2 275.318 3.322 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372724182 392629571 /nfs/dbraw/zinc/62/95/71/392629571.db2.gz FBMLNZKARHKLSV-NSHDSACASA-N 2 2 275.318 3.322 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000306728359 392643691 /nfs/dbraw/zinc/64/36/91/392643691.db2.gz NOHQQFSYXOXVFB-VQIMIIECSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000306728359 392643697 /nfs/dbraw/zinc/64/36/97/392643697.db2.gz NOHQQFSYXOXVFB-VQIMIIECSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000647315907 392659494 /nfs/dbraw/zinc/65/94/94/392659494.db2.gz FRGFNVGDWRADPD-QWHCGFSZSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000647315907 392659498 /nfs/dbraw/zinc/65/94/98/392659498.db2.gz FRGFNVGDWRADPD-QWHCGFSZSA-N 2 2 278.827 3.401 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000310718398 392659996 /nfs/dbraw/zinc/65/99/96/392659996.db2.gz GXXIANIERBADKM-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP COc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000375007128 392725831 /nfs/dbraw/zinc/72/58/31/392725831.db2.gz YQTBPQQTPIOUHQ-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](C)COC)c1ccc(Cl)cc1 ZINC000506633304 392728983 /nfs/dbraw/zinc/72/89/83/392728983.db2.gz OVMUOAAYPKDQHF-BBRMVZONSA-N 2 2 298.858 3.347 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](C)COC)c1ccc(Cl)cc1 ZINC000506633304 392728987 /nfs/dbraw/zinc/72/89/87/392728987.db2.gz OVMUOAAYPKDQHF-BBRMVZONSA-N 2 2 298.858 3.347 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000647497614 392740907 /nfs/dbraw/zinc/74/09/07/392740907.db2.gz NXCUUBXOZOWCFI-ABAIWWIYSA-N 2 2 284.806 3.347 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000647497614 392740908 /nfs/dbraw/zinc/74/09/08/392740908.db2.gz NXCUUBXOZOWCFI-ABAIWWIYSA-N 2 2 284.806 3.347 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000647531107 392752319 /nfs/dbraw/zinc/75/23/19/392752319.db2.gz BGKIWWFLSRBXLU-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000647540333 392758276 /nfs/dbraw/zinc/75/82/76/392758276.db2.gz KTBCLVPCFJFZAH-MHORFTMASA-N 2 2 290.426 3.129 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000647540333 392758287 /nfs/dbraw/zinc/75/82/87/392758287.db2.gz KTBCLVPCFJFZAH-MHORFTMASA-N 2 2 290.426 3.129 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349330 392700191 /nfs/dbraw/zinc/70/01/91/392700191.db2.gz KBUGCFWYBFTMPC-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349330 392700199 /nfs/dbraw/zinc/70/01/99/392700199.db2.gz KBUGCFWYBFTMPC-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1[NH3+] ZINC000647938618 392839299 /nfs/dbraw/zinc/83/92/99/392839299.db2.gz QQCXOPDPHWWBDV-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)oc2C)CC[C@@H]1[NH3+] ZINC000647938618 392839301 /nfs/dbraw/zinc/83/93/01/392839301.db2.gz QQCXOPDPHWWBDV-ZBFHGGJFSA-N 2 2 299.418 3.209 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510654003 392806758 /nfs/dbraw/zinc/80/67/58/392806758.db2.gz UXRUPZLTNYWCKT-HUUCEWRRSA-N 2 2 258.425 3.226 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510654003 392806762 /nfs/dbraw/zinc/80/67/62/392806762.db2.gz UXRUPZLTNYWCKT-HUUCEWRRSA-N 2 2 258.425 3.226 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423439865 285503154 /nfs/dbraw/zinc/50/31/54/285503154.db2.gz VNABUZVNYKVPJK-KZNAEPCWSA-N 2 2 270.420 3.042 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000510738917 392812929 /nfs/dbraw/zinc/81/29/29/392812929.db2.gz VTSQDYGKFUWNQS-PMPSAXMXSA-N 2 2 252.446 3.131 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918502 392819774 /nfs/dbraw/zinc/81/97/74/392819774.db2.gz FBZMFLUGNDRPFD-QAPCUYQASA-N 2 2 290.451 3.151 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCC(C)C)c2)C1 ZINC000510918502 392819776 /nfs/dbraw/zinc/81/97/76/392819776.db2.gz FBZMFLUGNDRPFD-QAPCUYQASA-N 2 2 290.451 3.151 20 0 CGADLP Clc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886006 392827307 /nfs/dbraw/zinc/82/73/07/392827307.db2.gz CLDLGDIIXZIOGK-DOMZBBRYSA-N 2 2 296.867 3.039 20 0 CGADLP Clc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886006 392827311 /nfs/dbraw/zinc/82/73/11/392827311.db2.gz CLDLGDIIXZIOGK-DOMZBBRYSA-N 2 2 296.867 3.039 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000512661976 392852435 /nfs/dbraw/zinc/85/24/35/392852435.db2.gz VFGFJYJARQFJGB-QCODTGAPSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000512661976 392852440 /nfs/dbraw/zinc/85/24/40/392852440.db2.gz VFGFJYJARQFJGB-QCODTGAPSA-N 2 2 252.446 3.129 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000376396655 392877612 /nfs/dbraw/zinc/87/76/12/392877612.db2.gz ILBAAMPPVQPGNO-CQSZACIVSA-N 2 2 279.453 3.156 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000376396655 392877617 /nfs/dbraw/zinc/87/76/17/392877617.db2.gz ILBAAMPPVQPGNO-CQSZACIVSA-N 2 2 279.453 3.156 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000337267905 392878555 /nfs/dbraw/zinc/87/85/55/392878555.db2.gz WXOJHAZGIGFZAG-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000337267905 392878562 /nfs/dbraw/zinc/87/85/62/392878562.db2.gz WXOJHAZGIGFZAG-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494931960 542721383 /nfs/dbraw/zinc/72/13/83/542721383.db2.gz BPCQMPSISYGTNI-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494931960 542721384 /nfs/dbraw/zinc/72/13/84/542721384.db2.gz BPCQMPSISYGTNI-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494931960 542721390 /nfs/dbraw/zinc/72/13/90/542721390.db2.gz BPCQMPSISYGTNI-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494931960 542721392 /nfs/dbraw/zinc/72/13/92/542721392.db2.gz BPCQMPSISYGTNI-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000534884297 542750552 /nfs/dbraw/zinc/75/05/52/542750552.db2.gz SHVUBDLRGAHUNI-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP C[N@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000536021240 542751466 /nfs/dbraw/zinc/75/14/66/542751466.db2.gz BPHHNZYLAANGNC-MRXNPFEDSA-N 2 2 295.411 3.317 20 0 CGADLP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000536021240 542751469 /nfs/dbraw/zinc/75/14/69/542751469.db2.gz BPHHNZYLAANGNC-MRXNPFEDSA-N 2 2 295.411 3.317 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)C[C@H]1c1ccccc1 ZINC000340192166 392965383 /nfs/dbraw/zinc/96/53/83/392965383.db2.gz YTSSGUGOGAUEHY-GJZGRUSLSA-N 2 2 287.432 3.068 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)C[C@H]1c1ccccc1 ZINC000340192166 392965387 /nfs/dbraw/zinc/96/53/87/392965387.db2.gz YTSSGUGOGAUEHY-GJZGRUSLSA-N 2 2 287.432 3.068 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760822 392992338 /nfs/dbraw/zinc/99/23/38/392992338.db2.gz MNWIEIPKYSOLJQ-ZFWWWQNUSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760822 392992345 /nfs/dbraw/zinc/99/23/45/392992345.db2.gz MNWIEIPKYSOLJQ-ZFWWWQNUSA-N 2 2 294.826 3.238 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000648438438 393015456 /nfs/dbraw/zinc/01/54/56/393015456.db2.gz HIWSRKAMNKNIAO-KURKYZTESA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)CC1CCCCC1 ZINC000414989977 393082602 /nfs/dbraw/zinc/08/26/02/393082602.db2.gz NONDKGKKLHDACB-DGCLKSJQSA-N 2 2 262.388 3.165 20 0 CGADLP CCC[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414999171 393086060 /nfs/dbraw/zinc/08/60/60/393086060.db2.gz VHYIJHHQMXZUBR-UONOGXRCSA-N 2 2 270.367 3.142 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346673286 393092303 /nfs/dbraw/zinc/09/23/03/393092303.db2.gz WKRMGZVGVGZZBH-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346673286 393092305 /nfs/dbraw/zinc/09/23/05/393092305.db2.gz WKRMGZVGVGZZBH-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC000346791071 393095026 /nfs/dbraw/zinc/09/50/26/393095026.db2.gz GONLRLUPAUBQBT-KBMXLJTQSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC000346791071 393095031 /nfs/dbraw/zinc/09/50/31/393095031.db2.gz GONLRLUPAUBQBT-KBMXLJTQSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC000347350606 393102903 /nfs/dbraw/zinc/10/29/03/393102903.db2.gz WZTNKVARARQZAW-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C)CC1 ZINC000347350606 393102907 /nfs/dbraw/zinc/10/29/07/393102907.db2.gz WZTNKVARARQZAW-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000414179234 393042388 /nfs/dbraw/zinc/04/23/88/393042388.db2.gz ABYLKJWTZPILGE-VWNJHIHFSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)C[N@H+]1C1CC1 ZINC000414179234 393042394 /nfs/dbraw/zinc/04/23/94/393042394.db2.gz ABYLKJWTZPILGE-VWNJHIHFSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000414179230 393042436 /nfs/dbraw/zinc/04/24/36/393042436.db2.gz ABYLKJWTZPILGE-JJAZEVLHSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)C[N@H+]1C1CC1 ZINC000414179230 393042443 /nfs/dbraw/zinc/04/24/43/393042443.db2.gz ABYLKJWTZPILGE-JJAZEVLHSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1ccc([C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C2CC2)cc1 ZINC000414279104 393045280 /nfs/dbraw/zinc/04/52/80/393045280.db2.gz YEMVOYLMRBWJBL-KRWDZBQOSA-N 2 2 298.434 3.035 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)CC(F)(F)F ZINC000414265919 393045975 /nfs/dbraw/zinc/04/59/75/393045975.db2.gz LYPUFHDEBSBTAD-MDZLAQPJSA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)CC(F)(F)F ZINC000414265919 393045983 /nfs/dbraw/zinc/04/59/83/393045983.db2.gz LYPUFHDEBSBTAD-MDZLAQPJSA-N 2 2 278.362 3.037 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000546575721 393059267 /nfs/dbraw/zinc/05/92/67/393059267.db2.gz NRMRNTLLHSJQOM-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2ccc(F)cc2)CC1 ZINC000546575721 393059272 /nfs/dbraw/zinc/05/92/72/393059272.db2.gz NRMRNTLLHSJQOM-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414952563 393060779 /nfs/dbraw/zinc/06/07/79/393060779.db2.gz KLXKAPNBZQMIHR-CXAGYDPISA-N 2 2 284.403 3.079 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000414955890 393062682 /nfs/dbraw/zinc/06/26/82/393062682.db2.gz NVXDBMDGJYMZDH-AUUYWEPGSA-N 2 2 298.405 3.406 20 0 CGADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000348053082 393112423 /nfs/dbraw/zinc/11/24/23/393112423.db2.gz ZSNYLGQNCYXJJS-DSSZZKGTSA-N 2 2 292.373 3.037 20 0 CGADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000348053082 393112430 /nfs/dbraw/zinc/11/24/30/393112430.db2.gz ZSNYLGQNCYXJJS-DSSZZKGTSA-N 2 2 292.373 3.037 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000415050863 393112983 /nfs/dbraw/zinc/11/29/83/393112983.db2.gz DFXRBDNRRRUOIA-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056231 393117944 /nfs/dbraw/zinc/11/79/44/393117944.db2.gz RZAWOXSPRJRPCG-AXVPCFCXSA-N 2 2 278.399 3.045 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[NH+]4CCC3CC4)[nH+]c2c1 ZINC000468593374 393155502 /nfs/dbraw/zinc/15/55/02/393155502.db2.gz ZBYMTHTZZGSOIR-UHFFFAOYSA-N 2 2 281.403 3.136 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547979754 393162667 /nfs/dbraw/zinc/16/26/67/393162667.db2.gz BQPZFOCBAWBICK-IAQYHMDHSA-N 2 2 287.794 3.128 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640046 393227648 /nfs/dbraw/zinc/22/76/48/393227648.db2.gz FZIFFNBUARXJMH-SYQHCUMBSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640046 393227655 /nfs/dbraw/zinc/22/76/55/393227655.db2.gz FZIFFNBUARXJMH-SYQHCUMBSA-N 2 2 261.413 3.071 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025943 393237991 /nfs/dbraw/zinc/23/79/91/393237991.db2.gz LEYKBRWTIIPDAV-QRQLOZEOSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025943 393237994 /nfs/dbraw/zinc/23/79/94/393237994.db2.gz LEYKBRWTIIPDAV-QRQLOZEOSA-N 2 2 294.398 3.338 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268999211 393214919 /nfs/dbraw/zinc/21/49/19/393214919.db2.gz IWGLKZLUXSFZEG-DYEKYZERSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268999211 393214928 /nfs/dbraw/zinc/21/49/28/393214928.db2.gz IWGLKZLUXSFZEG-DYEKYZERSA-N 2 2 264.438 3.190 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475546726 393407595 /nfs/dbraw/zinc/40/75/95/393407595.db2.gz FJVFTAJXCGZAHL-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475546726 393407597 /nfs/dbraw/zinc/40/75/97/393407597.db2.gz FJVFTAJXCGZAHL-WNOSKKOXSA-N 2 2 276.399 3.002 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)c[nH+]1 ZINC000649287138 393392597 /nfs/dbraw/zinc/39/25/97/393392597.db2.gz HRWKRTCRTQSEHT-MRXNPFEDSA-N 2 2 297.402 3.261 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)c[nH+]1 ZINC000649287138 393392599 /nfs/dbraw/zinc/39/25/99/393392599.db2.gz HRWKRTCRTQSEHT-MRXNPFEDSA-N 2 2 297.402 3.261 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475345476 393394773 /nfs/dbraw/zinc/39/47/73/393394773.db2.gz BAADOGYPXBKBEN-OXXUSNJHSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000475345476 393394776 /nfs/dbraw/zinc/39/47/76/393394776.db2.gz BAADOGYPXBKBEN-OXXUSNJHSA-N 2 2 290.426 3.392 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356256488 393396893 /nfs/dbraw/zinc/39/68/93/393396893.db2.gz JQJQFEILWOAWJK-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356256488 393396895 /nfs/dbraw/zinc/39/68/95/393396895.db2.gz JQJQFEILWOAWJK-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000417808182 393354611 /nfs/dbraw/zinc/35/46/11/393354611.db2.gz JFNGIHZCRHBGNF-ZFWWWQNUSA-N 2 2 273.380 3.469 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000417808182 393354617 /nfs/dbraw/zinc/35/46/17/393354617.db2.gz JFNGIHZCRHBGNF-ZFWWWQNUSA-N 2 2 273.380 3.469 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCCCC1 ZINC000475082569 393369086 /nfs/dbraw/zinc/36/90/86/393369086.db2.gz ABUQEJNIYPIIJB-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1nc(C[N@H+](C)CCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000649409944 393414112 /nfs/dbraw/zinc/41/41/12/393414112.db2.gz CMWFVIGVWFSOOP-UHFFFAOYSA-N 2 2 293.798 3.084 20 0 CGADLP Cc1nc(C[N@@H+](C)CCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000649409944 393414117 /nfs/dbraw/zinc/41/41/17/393414117.db2.gz CMWFVIGVWFSOOP-UHFFFAOYSA-N 2 2 293.798 3.084 20 0 CGADLP CC(C)c1nc(N2C[C@@H](C[NH3+])C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000420215022 393438751 /nfs/dbraw/zinc/43/87/51/393438751.db2.gz JPWKRYHBHXDRLF-CHWSQXEVSA-N 2 2 290.455 3.071 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391440 393483314 /nfs/dbraw/zinc/48/33/14/393483314.db2.gz IHUMXEFFBXZMCZ-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420391440 393483318 /nfs/dbraw/zinc/48/33/18/393483318.db2.gz IHUMXEFFBXZMCZ-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420365366 393475234 /nfs/dbraw/zinc/47/52/34/393475234.db2.gz PWYUJRCQUZNDBY-OAHLLOKOSA-N 2 2 287.407 3.113 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000356289467 393409292 /nfs/dbraw/zinc/40/92/92/393409292.db2.gz ARWIVULRFRIZEQ-WCQYABFASA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000356289467 393409295 /nfs/dbraw/zinc/40/92/95/393409295.db2.gz ARWIVULRFRIZEQ-WCQYABFASA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000356289467 393409297 /nfs/dbraw/zinc/40/92/97/393409297.db2.gz ARWIVULRFRIZEQ-WCQYABFASA-N 2 2 284.494 3.242 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000356289467 393409300 /nfs/dbraw/zinc/40/93/00/393409300.db2.gz ARWIVULRFRIZEQ-WCQYABFASA-N 2 2 284.494 3.242 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1F ZINC000420410103 393484826 /nfs/dbraw/zinc/48/48/26/393484826.db2.gz QYSCMVQSDMQQRO-ZANVPECISA-N 2 2 258.768 3.113 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000420422877 393486362 /nfs/dbraw/zinc/48/63/62/393486362.db2.gz ZWIGPHCUDLOYJU-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CS1 ZINC000488445655 393515906 /nfs/dbraw/zinc/51/59/06/393515906.db2.gz RULNVZYWQDTPIK-WCVJEAGWSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CS1 ZINC000488445655 393515911 /nfs/dbraw/zinc/51/59/11/393515911.db2.gz RULNVZYWQDTPIK-WCVJEAGWSA-N 2 2 284.513 3.369 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000359090478 393536214 /nfs/dbraw/zinc/53/62/14/393536214.db2.gz UPKWWVSGZLCEAC-GOEBONIOSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000359090478 393536217 /nfs/dbraw/zinc/53/62/17/393536217.db2.gz UPKWWVSGZLCEAC-GOEBONIOSA-N 2 2 250.430 3.053 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CCCCC3)CC2 ZINC000334735584 285539815 /nfs/dbraw/zinc/53/98/15/285539815.db2.gz PYGALYDGOBMLAS-HUUCEWRRSA-N 2 2 273.424 3.291 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CO1 ZINC000649720349 393558133 /nfs/dbraw/zinc/55/81/33/393558133.db2.gz HYFPCVJVKWLIED-WMZOPIPTSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CO1 ZINC000649720349 393558141 /nfs/dbraw/zinc/55/81/41/393558141.db2.gz HYFPCVJVKWLIED-WMZOPIPTSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430554921 393574834 /nfs/dbraw/zinc/57/48/34/393574834.db2.gz WKLRSLLUIUAFDD-KBPBESRZSA-N 2 2 295.496 3.291 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430554921 393574841 /nfs/dbraw/zinc/57/48/41/393574841.db2.gz WKLRSLLUIUAFDD-KBPBESRZSA-N 2 2 295.496 3.291 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430556666 393575109 /nfs/dbraw/zinc/57/51/09/393575109.db2.gz LILXZXWBKUVOQY-HNNXBMFYSA-N 2 2 293.436 3.175 20 0 CGADLP c1csc(-c2ncc(C[NH2+]C[C@@H]3CCCC[NH2+]3)s2)c1 ZINC000666769017 542814465 /nfs/dbraw/zinc/81/44/65/542814465.db2.gz QHDKKODFCQSQDQ-NSHDSACASA-N 2 2 293.461 3.103 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855286 542820827 /nfs/dbraw/zinc/82/08/27/542820827.db2.gz KHJGVJJUEIDZAU-JTQLQIEISA-N 2 2 273.207 3.225 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000430600566 393579897 /nfs/dbraw/zinc/57/98/97/393579897.db2.gz AZRHGGUMLZSYQG-MRXNPFEDSA-N 2 2 288.435 3.128 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000430600566 393579907 /nfs/dbraw/zinc/57/99/07/393579907.db2.gz AZRHGGUMLZSYQG-MRXNPFEDSA-N 2 2 288.435 3.128 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430604228 393580537 /nfs/dbraw/zinc/58/05/37/393580537.db2.gz PTBDHEGRFXEWIY-LRDDRELGSA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430604228 393580544 /nfs/dbraw/zinc/58/05/44/393580544.db2.gz PTBDHEGRFXEWIY-LRDDRELGSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639501 393582779 /nfs/dbraw/zinc/58/27/79/393582779.db2.gz GBVIYZQRKTUZGP-UONOGXRCSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639501 393582783 /nfs/dbraw/zinc/58/27/83/393582783.db2.gz GBVIYZQRKTUZGP-UONOGXRCSA-N 2 2 285.391 3.073 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000360985672 393629402 /nfs/dbraw/zinc/62/94/02/393629402.db2.gz IBOGMIHBGFDUTQ-RISCZKNCSA-N 2 2 283.485 3.469 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000423123789 393651538 /nfs/dbraw/zinc/65/15/38/393651538.db2.gz NIVDVTJPNMUIOT-JMJZKYOTSA-N 2 2 270.829 3.119 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186064 393652940 /nfs/dbraw/zinc/65/29/40/393652940.db2.gz JYHOEUSQXAEBTO-RHSMWYFYSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423194323 393653389 /nfs/dbraw/zinc/65/33/89/393653389.db2.gz RFFKDUACEJGKEG-WZRBSPASSA-N 2 2 250.411 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423183830 393653661 /nfs/dbraw/zinc/65/36/61/393653661.db2.gz HWYDULKIWQKWJU-IUODEOHRSA-N 2 2 268.351 3.004 20 0 CGADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141477 393683465 /nfs/dbraw/zinc/68/34/65/393683465.db2.gz OHENPLXTQQHUPY-DGCLKSJQSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141477 393683468 /nfs/dbraw/zinc/68/34/68/393683468.db2.gz OHENPLXTQQHUPY-DGCLKSJQSA-N 2 2 297.324 3.497 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1F ZINC000423262413 393656972 /nfs/dbraw/zinc/65/69/72/393656972.db2.gz MKVSKXJNIBHDQH-SWLSCSKDSA-N 2 2 252.377 3.240 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000423277789 393659106 /nfs/dbraw/zinc/65/91/06/393659106.db2.gz ORVOOQVFWUNGMP-OAHLLOKOSA-N 2 2 275.440 3.353 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000423360394 393663830 /nfs/dbraw/zinc/66/38/30/393663830.db2.gz LJAVTEQJIJSHDU-PUYPPJJSSA-N 2 2 252.427 3.014 20 0 CGADLP C[C@@H]1c2ccccc2C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000361089738 393669591 /nfs/dbraw/zinc/66/95/91/393669591.db2.gz XTSYYKSFVVZVJI-ZBFHGGJFSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000361089738 393669594 /nfs/dbraw/zinc/66/95/94/393669594.db2.gz XTSYYKSFVVZVJI-ZBFHGGJFSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000361089738 393669595 /nfs/dbraw/zinc/66/95/95/393669595.db2.gz XTSYYKSFVVZVJI-ZBFHGGJFSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000361089738 393669598 /nfs/dbraw/zinc/66/95/98/393669598.db2.gz XTSYYKSFVVZVJI-ZBFHGGJFSA-N 2 2 258.409 3.438 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000443213887 393749577 /nfs/dbraw/zinc/74/95/77/393749577.db2.gz JCXNDOYINYFRDH-JCGIZDLHSA-N 2 2 290.451 3.001 20 0 CGADLP CC1(C)CC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000433124625 393688143 /nfs/dbraw/zinc/68/81/43/393688143.db2.gz DYBRACXLWDUEJN-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@@H+]1C ZINC000449233868 393877036 /nfs/dbraw/zinc/87/70/36/393877036.db2.gz NPOYDKQPUXVELU-HRSCSKTISA-N 2 2 294.483 3.329 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@H+]1C ZINC000449233868 393877040 /nfs/dbraw/zinc/87/70/40/393877040.db2.gz NPOYDKQPUXVELU-HRSCSKTISA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C(C)C ZINC000449553920 393899402 /nfs/dbraw/zinc/89/94/02/393899402.db2.gz NBLYCIKRZHUFDU-HOCLYGCPSA-N 2 2 295.496 3.317 20 0 CGADLP CC(C)[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C(C)C ZINC000449553920 393899406 /nfs/dbraw/zinc/89/94/06/393899406.db2.gz NBLYCIKRZHUFDU-HOCLYGCPSA-N 2 2 295.496 3.317 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1cccc(Br)c1 ZINC000449554530 393899607 /nfs/dbraw/zinc/89/96/07/393899607.db2.gz BYVMIIMFTVVDRI-NEPJUHHUSA-N 2 2 299.256 3.092 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000503927778 393909132 /nfs/dbraw/zinc/90/91/32/393909132.db2.gz QIBNDCZOLQLMGU-RCBQFDQVSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000503927778 393909136 /nfs/dbraw/zinc/90/91/36/393909136.db2.gz QIBNDCZOLQLMGU-RCBQFDQVSA-N 2 2 264.388 3.063 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000453059290 394156590 /nfs/dbraw/zinc/15/65/90/394156590.db2.gz MLSZIXHTVKSRKA-SJORKVTESA-N 2 2 289.467 3.114 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000453059290 394156594 /nfs/dbraw/zinc/15/65/94/394156594.db2.gz MLSZIXHTVKSRKA-SJORKVTESA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000453064797 394158030 /nfs/dbraw/zinc/15/80/30/394158030.db2.gz UJJJEMHKRIEGDN-QGZVFWFLSA-N 2 2 289.467 3.114 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000667587192 542894215 /nfs/dbraw/zinc/89/42/15/542894215.db2.gz JRIPCSYGMZARSG-QGZVFWFLSA-N 2 2 299.418 3.427 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCc3ccccc31)CCCC2 ZINC000366943780 285582473 /nfs/dbraw/zinc/58/24/73/285582473.db2.gz MSYNWJSHWVJRLS-QGZVFWFLSA-N 2 2 281.403 3.387 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1C ZINC000667658461 542909701 /nfs/dbraw/zinc/90/97/01/542909701.db2.gz HOYZXPGXIRLJGN-IUODEOHRSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1C ZINC000667658461 542909705 /nfs/dbraw/zinc/90/97/05/542909705.db2.gz HOYZXPGXIRLJGN-IUODEOHRSA-N 2 2 287.382 3.246 20 0 CGADLP CC(C)C[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667667827 542912059 /nfs/dbraw/zinc/91/20/59/542912059.db2.gz WXIPTAHWJMHIRR-AWEZNQCLSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)C[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667667827 542912061 /nfs/dbraw/zinc/91/20/61/542912061.db2.gz WXIPTAHWJMHIRR-AWEZNQCLSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCCC12CC2 ZINC000667715000 542922091 /nfs/dbraw/zinc/92/20/91/542922091.db2.gz ZJJJVGHPCXXGBT-GOSISDBHSA-N 2 2 299.462 3.491 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c[nH+]c(C)n1C ZINC000668035131 542961246 /nfs/dbraw/zinc/96/12/46/542961246.db2.gz CFSPHXFTMOTGJR-UHFFFAOYSA-N 2 2 282.391 3.232 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c[nH+]c(C)n1C ZINC000668035131 542961248 /nfs/dbraw/zinc/96/12/48/542961248.db2.gz CFSPHXFTMOTGJR-UHFFFAOYSA-N 2 2 282.391 3.232 20 0 CGADLP CCC[N@H+](CCc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667994075 542955233 /nfs/dbraw/zinc/95/52/33/542955233.db2.gz UIVLAJNEAFWBNM-UHFFFAOYSA-N 2 2 289.448 3.346 20 0 CGADLP CCC[N@@H+](CCc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667994075 542955235 /nfs/dbraw/zinc/95/52/35/542955235.db2.gz UIVLAJNEAFWBNM-UHFFFAOYSA-N 2 2 289.448 3.346 20 0 CGADLP CCC[N@H+](CCc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667994105 542955557 /nfs/dbraw/zinc/95/55/57/542955557.db2.gz VFFWDXLRAHSDKQ-UHFFFAOYSA-N 2 2 277.437 3.245 20 0 CGADLP CCC[N@@H+](CCc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667994105 542955561 /nfs/dbraw/zinc/95/55/61/542955561.db2.gz VFFWDXLRAHSDKQ-UHFFFAOYSA-N 2 2 277.437 3.245 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1C ZINC000668193189 542986583 /nfs/dbraw/zinc/98/65/83/542986583.db2.gz ZNCPQLWLHVIFPK-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1C ZINC000668193189 542986585 /nfs/dbraw/zinc/98/65/85/542986585.db2.gz ZNCPQLWLHVIFPK-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc21 ZINC000668172986 542980891 /nfs/dbraw/zinc/98/08/91/542980891.db2.gz YULPCONRDQVFNS-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc21 ZINC000668172986 542980894 /nfs/dbraw/zinc/98/08/94/542980894.db2.gz YULPCONRDQVFNS-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc21 ZINC000668172986 542980897 /nfs/dbraw/zinc/98/08/97/542980897.db2.gz YULPCONRDQVFNS-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc21 ZINC000668172986 542980900 /nfs/dbraw/zinc/98/09/00/542980900.db2.gz YULPCONRDQVFNS-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)n1C ZINC000668174138 542981141 /nfs/dbraw/zinc/98/11/41/542981141.db2.gz FGAIGOPLWYGRFW-AWEZNQCLSA-N 2 2 275.421 3.373 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)n1C ZINC000668174138 542981144 /nfs/dbraw/zinc/98/11/44/542981144.db2.gz FGAIGOPLWYGRFW-AWEZNQCLSA-N 2 2 275.421 3.373 20 0 CGADLP CC(C)C1(c2ccccc2)C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668240759 542997755 /nfs/dbraw/zinc/99/77/55/542997755.db2.gz RDYKBJAKLWANDN-UHFFFAOYSA-N 2 2 295.430 3.239 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)n1C ZINC000668275044 542999903 /nfs/dbraw/zinc/99/99/03/542999903.db2.gz QSQVITQEVJZYJS-GOEBONIOSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)n1C ZINC000668275044 542999904 /nfs/dbraw/zinc/99/99/04/542999904.db2.gz QSQVITQEVJZYJS-GOEBONIOSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2noc3ccccc23)c[nH+]1 ZINC000668437783 543013117 /nfs/dbraw/zinc/01/31/17/543013117.db2.gz QNGWDJKROIKCAL-UHFFFAOYSA-N 2 2 295.386 3.296 20 0 CGADLP C[C@H](CCCCO)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000669618778 543113228 /nfs/dbraw/zinc/11/32/28/543113228.db2.gz HERDGBCNFBVRQQ-QGZVFWFLSA-N 2 2 296.499 3.173 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708957 543121160 /nfs/dbraw/zinc/12/11/60/543121160.db2.gz ZGRXUHTZDIBUIR-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708957 543121162 /nfs/dbraw/zinc/12/11/62/543121162.db2.gz ZGRXUHTZDIBUIR-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708957 543121164 /nfs/dbraw/zinc/12/11/64/543121164.db2.gz ZGRXUHTZDIBUIR-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708957 543121166 /nfs/dbraw/zinc/12/11/66/543121166.db2.gz ZGRXUHTZDIBUIR-HIFRSBDPSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)n1 ZINC000671302950 543168068 /nfs/dbraw/zinc/16/80/68/543168068.db2.gz RNYZTCITVIQYDQ-CYBMUJFWSA-N 2 2 284.407 3.082 20 0 CGADLP CC(C)c1cc(N[C@@H]2CCc3c[nH+]cn3C2)nc(C(C)C)[nH+]1 ZINC000672324848 543208656 /nfs/dbraw/zinc/20/86/56/543208656.db2.gz NSZCCZJLHPFULC-CYBMUJFWSA-N 2 2 299.422 3.347 20 0 CGADLP CCc1cc(NC[C@H]([NH2+][C@H](C)CC)c2ccco2)nc[nH+]1 ZINC000672324553 543208811 /nfs/dbraw/zinc/20/88/11/543208811.db2.gz XKNZTJMSGXHWRY-OCCSQVGLSA-N 2 2 288.395 3.173 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000674005794 543262162 /nfs/dbraw/zinc/26/21/62/543262162.db2.gz NFQRLSFGTPTCMW-WBVHZDCISA-N 2 2 285.366 3.347 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000674005794 543262164 /nfs/dbraw/zinc/26/21/64/543262164.db2.gz NFQRLSFGTPTCMW-WBVHZDCISA-N 2 2 285.366 3.347 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000675103124 543315296 /nfs/dbraw/zinc/31/52/96/543315296.db2.gz JFMSQHZIOKOUPM-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000675103124 543315297 /nfs/dbraw/zinc/31/52/97/543315297.db2.gz JFMSQHZIOKOUPM-KDOFPFPSSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767315 543362208 /nfs/dbraw/zinc/36/22/08/543362208.db2.gz SJKHJEOBAAAYLS-NWDGAFQWSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767315 543362210 /nfs/dbraw/zinc/36/22/10/543362210.db2.gz SJKHJEOBAAAYLS-NWDGAFQWSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1cccs1 ZINC000675743633 543359781 /nfs/dbraw/zinc/35/97/81/543359781.db2.gz LOQAOILXVJMUAR-UONOGXRCSA-N 2 2 266.454 3.143 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000675834744 543368746 /nfs/dbraw/zinc/36/87/46/543368746.db2.gz ZFAYZRYMYINBFE-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000675834744 543368749 /nfs/dbraw/zinc/36/87/49/543368749.db2.gz ZFAYZRYMYINBFE-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP c1cncc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CCCCC2)c1 ZINC000677686488 543458830 /nfs/dbraw/zinc/45/88/30/543458830.db2.gz ZLGDOOTWWXBUSZ-SFHVURJKSA-N 2 2 287.451 3.388 20 0 CGADLP CC(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748051 543463473 /nfs/dbraw/zinc/46/34/73/543463473.db2.gz CXFSNNOOCSFGFX-INIZCTEOSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748051 543463474 /nfs/dbraw/zinc/46/34/74/543463474.db2.gz CXFSNNOOCSFGFX-INIZCTEOSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678076858 543481628 /nfs/dbraw/zinc/48/16/28/543481628.db2.gz GDDCANXQKUAJBO-BBRMVZONSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000678076858 543481630 /nfs/dbraw/zinc/48/16/30/543481630.db2.gz GDDCANXQKUAJBO-BBRMVZONSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000678076858 543481632 /nfs/dbraw/zinc/48/16/32/543481632.db2.gz GDDCANXQKUAJBO-BBRMVZONSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000678076858 543481634 /nfs/dbraw/zinc/48/16/34/543481634.db2.gz GDDCANXQKUAJBO-BBRMVZONSA-N 2 2 276.399 3.229 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(F)c1F ZINC000678235575 543497953 /nfs/dbraw/zinc/49/79/53/543497953.db2.gz WIDUKVDJFHCKOJ-LBPRGKRZSA-N 2 2 295.308 3.138 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(F)c1F ZINC000678235575 543497955 /nfs/dbraw/zinc/49/79/55/543497955.db2.gz WIDUKVDJFHCKOJ-LBPRGKRZSA-N 2 2 295.308 3.138 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2[nH]1 ZINC000678234662 543498856 /nfs/dbraw/zinc/49/88/56/543498856.db2.gz IQXRTAWRDAJANJ-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2cccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2[nH]1 ZINC000678234662 543498857 /nfs/dbraw/zinc/49/88/57/543498857.db2.gz IQXRTAWRDAJANJ-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cscc2Cl)C1 ZINC000678285287 543511809 /nfs/dbraw/zinc/51/18/09/543511809.db2.gz SZJRPJIIKIIPAN-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cscc2Cl)C1 ZINC000678285287 543511810 /nfs/dbraw/zinc/51/18/10/543511810.db2.gz SZJRPJIIKIIPAN-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000678285287 543511812 /nfs/dbraw/zinc/51/18/12/543511812.db2.gz SZJRPJIIKIIPAN-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000678285287 543511814 /nfs/dbraw/zinc/51/18/14/543511814.db2.gz SZJRPJIIKIIPAN-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000678764996 543554047 /nfs/dbraw/zinc/55/40/47/543554047.db2.gz VPBRMNGRWLZCNJ-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685997 543550072 /nfs/dbraw/zinc/55/00/72/543550072.db2.gz MVKOJXWECPEZGY-ZWKOTPCHSA-N 2 2 288.410 3.351 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685997 543550075 /nfs/dbraw/zinc/55/00/75/543550075.db2.gz MVKOJXWECPEZGY-ZWKOTPCHSA-N 2 2 288.410 3.351 20 0 CGADLP Fc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)cc1 ZINC000678885924 543568941 /nfs/dbraw/zinc/56/89/41/543568941.db2.gz LEVSRIWSZFBQNC-UHFFFAOYSA-N 2 2 273.355 3.081 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC000556586441 289399311 /nfs/dbraw/zinc/39/93/11/289399311.db2.gz UIYFUQBDIMMQNO-HOTGVXAUSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)[C@@H](C)C2 ZINC000493205905 292369239 /nfs/dbraw/zinc/36/92/39/292369239.db2.gz OVHLHHAEHYLDLY-WTVLQJKYSA-N 2 2 284.447 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)[C@@H](C)C2 ZINC000493205905 292369241 /nfs/dbraw/zinc/36/92/41/292369241.db2.gz OVHLHHAEHYLDLY-WTVLQJKYSA-N 2 2 284.447 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017925 543583275 /nfs/dbraw/zinc/58/32/75/543583275.db2.gz ZNUIXWXNCKLOEV-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017925 543583277 /nfs/dbraw/zinc/58/32/77/543583277.db2.gz ZNUIXWXNCKLOEV-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)C1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000054556637 286943186 /nfs/dbraw/zinc/94/31/86/286943186.db2.gz FLJIVHUYTLDSCK-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000449554079 287035393 /nfs/dbraw/zinc/03/53/93/287035393.db2.gz AEPPNZPRMJACFZ-RWMBFGLXSA-N 2 2 268.832 3.372 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccco1)[N@H+](C)Cc1ccccc1 ZINC000080206433 287063712 /nfs/dbraw/zinc/06/37/12/287063712.db2.gz LXUYROLNKIPUQK-OAHLLOKOSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccco1)[N@@H+](C)Cc1ccccc1 ZINC000080206433 287063714 /nfs/dbraw/zinc/06/37/14/287063714.db2.gz LXUYROLNKIPUQK-OAHLLOKOSA-N 2 2 272.392 3.280 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC000072957014 165076624 /nfs/dbraw/zinc/07/66/24/165076624.db2.gz PIMQVJWITIGFHI-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC000072957014 165076627 /nfs/dbraw/zinc/07/66/27/165076627.db2.gz PIMQVJWITIGFHI-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1F ZINC000072957014 165076630 /nfs/dbraw/zinc/07/66/30/165076630.db2.gz PIMQVJWITIGFHI-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1F ZINC000072957014 165076635 /nfs/dbraw/zinc/07/66/35/165076635.db2.gz PIMQVJWITIGFHI-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087759136 165190287 /nfs/dbraw/zinc/19/02/87/165190287.db2.gz CVBFDIBFRTVKEY-SNVBAGLBSA-N 2 2 275.223 3.423 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220005 165231967 /nfs/dbraw/zinc/23/19/67/165231967.db2.gz MAAFBFAYFJYZJO-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220005 165231968 /nfs/dbraw/zinc/23/19/68/165231968.db2.gz MAAFBFAYFJYZJO-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[N@@H+]1C ZINC000090721298 287105003 /nfs/dbraw/zinc/10/50/03/287105003.db2.gz DBPQPFHGTJKOPT-DGCLKSJQSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Br)CC[N@H+]1C ZINC000090721298 287105005 /nfs/dbraw/zinc/10/50/05/287105005.db2.gz DBPQPFHGTJKOPT-DGCLKSJQSA-N 2 2 297.240 3.021 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000090858056 165247848 /nfs/dbraw/zinc/24/78/48/165247848.db2.gz BGBQZJIPPSYNKH-WBAXXEDZSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092129032 165282093 /nfs/dbraw/zinc/28/20/93/165282093.db2.gz PTDATTQXYNOHAF-ZDUSSCGKSA-N 2 2 257.381 3.316 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648709 165305470 /nfs/dbraw/zinc/30/54/70/165305470.db2.gz XDYGFGFVNRDDNQ-CJNGLKHVSA-N 2 2 285.391 3.437 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094517873 165352450 /nfs/dbraw/zinc/35/24/50/165352450.db2.gz CLJWXIUFXDTJGM-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094517873 165352452 /nfs/dbraw/zinc/35/24/52/165352452.db2.gz CLJWXIUFXDTJGM-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251700260 287139566 /nfs/dbraw/zinc/13/95/66/287139566.db2.gz NHLZYNTZLAQEBH-YUTCNCBUSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251700260 287139568 /nfs/dbraw/zinc/13/95/68/287139568.db2.gz NHLZYNTZLAQEBH-YUTCNCBUSA-N 2 2 296.361 3.175 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2s1 ZINC000262017890 165848277 /nfs/dbraw/zinc/84/82/77/165848277.db2.gz MYELAHSUBCSDCH-XHDPSFHLSA-N 2 2 289.448 3.306 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2s1 ZINC000262017890 165848280 /nfs/dbraw/zinc/84/82/80/165848280.db2.gz MYELAHSUBCSDCH-XHDPSFHLSA-N 2 2 289.448 3.306 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000120888076 287188719 /nfs/dbraw/zinc/18/87/19/287188719.db2.gz VJSBCUSPLVYWRH-JLJPHGGASA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000120888076 287188723 /nfs/dbraw/zinc/18/87/23/287188723.db2.gz VJSBCUSPLVYWRH-JLJPHGGASA-N 2 2 258.409 3.353 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020127016 171011600 /nfs/dbraw/zinc/01/16/00/171011600.db2.gz ORZMUHPERMDTKK-CYBMUJFWSA-N 2 2 264.438 3.155 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000020128822 171015918 /nfs/dbraw/zinc/01/59/18/171015918.db2.gz UWPQCZLLZVMUJP-CYBMUJFWSA-N 2 2 282.378 3.491 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000020208941 171073152 /nfs/dbraw/zinc/07/31/52/171073152.db2.gz SGMMNKUYJZDFRQ-VBQJREDUSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000020506235 171228379 /nfs/dbraw/zinc/22/83/79/171228379.db2.gz GZUOZWUYTAHUJA-LBPRGKRZSA-N 2 2 295.333 3.225 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000020561324 171252084 /nfs/dbraw/zinc/25/20/84/171252084.db2.gz FTUNIKSAAGBKJS-PVAVHDDUSA-N 2 2 260.425 3.458 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000020967367 171282417 /nfs/dbraw/zinc/28/24/17/171282417.db2.gz GGRCBDXYRQRLCM-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000020967367 171282419 /nfs/dbraw/zinc/28/24/19/171282419.db2.gz GGRCBDXYRQRLCM-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(Br)cc1 ZINC000022219874 171377283 /nfs/dbraw/zinc/37/72/83/171377283.db2.gz HMCNPFZJPHMGQB-CYBMUJFWSA-N 2 2 285.229 3.051 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000035274931 172095689 /nfs/dbraw/zinc/09/56/89/172095689.db2.gz KQRRZOSZOZXXJN-CQSZACIVSA-N 2 2 271.408 3.359 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000035286429 172104643 /nfs/dbraw/zinc/10/46/43/172104643.db2.gz OYFAIGXWVXKDPU-VIFPVBQESA-N 2 2 258.818 3.146 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCF ZINC000285121362 196201162 /nfs/dbraw/zinc/20/11/62/196201162.db2.gz AMNWCOYXZJPTSN-UHFFFAOYSA-N 2 2 266.404 3.236 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCF ZINC000285121362 196201165 /nfs/dbraw/zinc/20/11/65/196201165.db2.gz AMNWCOYXZJPTSN-UHFFFAOYSA-N 2 2 266.404 3.236 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000126705102 287271165 /nfs/dbraw/zinc/27/11/65/287271165.db2.gz JXLZADUKWMZVDL-HBUWYVDXSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000126705102 287271170 /nfs/dbraw/zinc/27/11/70/287271170.db2.gz JXLZADUKWMZVDL-HBUWYVDXSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000285652553 196356526 /nfs/dbraw/zinc/35/65/26/196356526.db2.gz SLNDQGSSZQPPLW-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285652553 196356527 /nfs/dbraw/zinc/35/65/27/196356527.db2.gz SLNDQGSSZQPPLW-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256045 173067016 /nfs/dbraw/zinc/06/70/16/173067016.db2.gz BPJPFFUCUQGSAA-CYBMUJFWSA-N 2 2 272.392 3.486 20 0 CGADLP CCCc1nc(C[N@@H+](CCC)C2CC[NH2+]CC2)cs1 ZINC000037539016 173259238 /nfs/dbraw/zinc/25/92/38/173259238.db2.gz MQSOLHIVVZOFDE-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1nc(C[N@H+](CCC)C2CC[NH2+]CC2)cs1 ZINC000037539016 173259239 /nfs/dbraw/zinc/25/92/39/173259239.db2.gz MQSOLHIVVZOFDE-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000040500744 174297064 /nfs/dbraw/zinc/29/70/64/174297064.db2.gz PIGVOWLNPNEAKC-HOTGVXAUSA-N 2 2 271.408 3.191 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000127885958 287298178 /nfs/dbraw/zinc/29/81/78/287298178.db2.gz IDBBJKIWJZZDNM-CHWSQXEVSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C1CC1 ZINC000127885958 287298179 /nfs/dbraw/zinc/29/81/79/287298179.db2.gz IDBBJKIWJZZDNM-CHWSQXEVSA-N 2 2 264.388 3.002 20 0 CGADLP c1ccc2[nH+]c([C@H]3CCCN(c4cc[nH+]cc4)C3)[nH]c2c1 ZINC000077320174 177252846 /nfs/dbraw/zinc/25/28/46/177252846.db2.gz LOUCGCLSBYULEQ-ZDUSSCGKSA-N 2 2 278.359 3.342 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1F)C2 ZINC000311422965 416531485 /nfs/dbraw/zinc/53/14/85/416531485.db2.gz AWUDLNOAUQSDAA-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1F)C2 ZINC000311422965 416531488 /nfs/dbraw/zinc/53/14/88/416531488.db2.gz AWUDLNOAUQSDAA-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404376949 416553016 /nfs/dbraw/zinc/55/30/16/416553016.db2.gz SNSIANNDDLQHBX-JSGCOSHPSA-N 2 2 281.469 3.045 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404376949 416553018 /nfs/dbraw/zinc/55/30/18/416553018.db2.gz SNSIANNDDLQHBX-JSGCOSHPSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)[C@H]1CC[NH3+] ZINC000404413536 416553677 /nfs/dbraw/zinc/55/36/77/416553677.db2.gz DZLDHWRMMKDOPZ-BMIGLBTASA-N 2 2 286.341 3.053 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)[C@H]1CC[NH3+] ZINC000404413536 416553681 /nfs/dbraw/zinc/55/36/81/416553681.db2.gz DZLDHWRMMKDOPZ-BMIGLBTASA-N 2 2 286.341 3.053 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000679444113 543637098 /nfs/dbraw/zinc/63/70/98/543637098.db2.gz QQAPCSXIDPJILB-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000679444113 543637099 /nfs/dbraw/zinc/63/70/99/543637099.db2.gz QQAPCSXIDPJILB-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccn1 ZINC000680116355 543686081 /nfs/dbraw/zinc/68/60/81/543686081.db2.gz PIFDTEORYCBCLV-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP CC1([NH2+]Cc2cccc3[nH+]ccn32)CCC(F)(F)CC1 ZINC000680137987 543687068 /nfs/dbraw/zinc/68/70/68/543687068.db2.gz XPQQBFQVBNBENI-UHFFFAOYSA-N 2 2 279.334 3.392 20 0 CGADLP Cc1noc([C@@H](C)[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000679952547 543670566 /nfs/dbraw/zinc/67/05/66/543670566.db2.gz ADZFWWFNUCPMEM-GFCCVEGCSA-N 2 2 286.379 3.022 20 0 CGADLP CC(C)OCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000680494980 543715353 /nfs/dbraw/zinc/71/53/53/543715353.db2.gz KBUGFWKDUXXRSA-QGZVFWFLSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000680494980 543715355 /nfs/dbraw/zinc/71/53/55/543715355.db2.gz KBUGFWKDUXXRSA-QGZVFWFLSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000681402846 543786174 /nfs/dbraw/zinc/78/61/74/543786174.db2.gz UXNYGSMHIMEEIY-QGZVFWFLSA-N 2 2 297.402 3.101 20 0 CGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000681402846 543786177 /nfs/dbraw/zinc/78/61/77/543786177.db2.gz UXNYGSMHIMEEIY-QGZVFWFLSA-N 2 2 297.402 3.101 20 0 CGADLP CC(C)[C@@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCC(C)CC1 ZINC000681089232 543764197 /nfs/dbraw/zinc/76/41/97/543764197.db2.gz LBOPMYLNTXTNRA-YMAMQOFZSA-N 2 2 288.426 3.376 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(C3CC3)CC2)n1-c1ccccc1 ZINC000130702039 287361283 /nfs/dbraw/zinc/36/12/83/287361283.db2.gz RCSLZNWOKYIHOT-UHFFFAOYSA-N 2 2 281.403 3.461 20 0 CGADLP Cn1cc[nH+]c1[C@@H](Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000681562207 543794622 /nfs/dbraw/zinc/79/46/22/543794622.db2.gz HSQPIFONROVZSW-KRWDZBQOSA-N 2 2 298.434 3.087 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000682522614 543850088 /nfs/dbraw/zinc/85/00/88/543850088.db2.gz MUCPMNAAIKJCCJ-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000682522614 543850091 /nfs/dbraw/zinc/85/00/91/543850091.db2.gz MUCPMNAAIKJCCJ-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP c1cn(CC[N@@H+](Cc2ccccc2)CC2CCC2)c[nH+]1 ZINC000131274727 287374799 /nfs/dbraw/zinc/37/47/99/287374799.db2.gz YOQJNYHFTJOPIN-UHFFFAOYSA-N 2 2 269.392 3.185 20 0 CGADLP c1cn(CC[N@H+](Cc2ccccc2)CC2CCC2)c[nH+]1 ZINC000131274727 287374802 /nfs/dbraw/zinc/37/48/02/287374802.db2.gz YOQJNYHFTJOPIN-UHFFFAOYSA-N 2 2 269.392 3.185 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000131506084 287382221 /nfs/dbraw/zinc/38/22/21/287382221.db2.gz GEUTTYMHBSEXBI-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000131506084 287382223 /nfs/dbraw/zinc/38/22/23/287382223.db2.gz GEUTTYMHBSEXBI-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693688 543932472 /nfs/dbraw/zinc/93/24/72/543932472.db2.gz BDKKVDUNTBJGOF-ZFWWWQNUSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693688 543932475 /nfs/dbraw/zinc/93/24/75/543932475.db2.gz BDKKVDUNTBJGOF-ZFWWWQNUSA-N 2 2 278.465 3.286 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000683140628 543898865 /nfs/dbraw/zinc/89/88/65/543898865.db2.gz DHIGVDCGFOYTSA-CQSZACIVSA-N 2 2 278.415 3.477 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000683140628 543898867 /nfs/dbraw/zinc/89/88/67/543898867.db2.gz DHIGVDCGFOYTSA-CQSZACIVSA-N 2 2 278.415 3.477 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132131836 287397785 /nfs/dbraw/zinc/39/77/85/287397785.db2.gz IXZRSRJUYPRGPB-JKSUJKDBSA-N 2 2 285.435 3.498 20 0 CGADLP CC(C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)F ZINC000684413542 543995893 /nfs/dbraw/zinc/99/58/93/543995893.db2.gz OGUPLUCBMHTCPL-UHFFFAOYSA-N 2 2 271.336 3.067 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000685452039 544072171 /nfs/dbraw/zinc/07/21/71/544072171.db2.gz HAYXYPGAWQMAHY-UHFFFAOYSA-N 2 2 290.382 3.469 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000685452039 544072174 /nfs/dbraw/zinc/07/21/74/544072174.db2.gz HAYXYPGAWQMAHY-UHFFFAOYSA-N 2 2 290.382 3.469 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000685840200 544100042 /nfs/dbraw/zinc/10/00/42/544100042.db2.gz OOMWZDUDPYVGGA-KRWDZBQOSA-N 2 2 274.452 3.210 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000685840200 544100044 /nfs/dbraw/zinc/10/00/44/544100044.db2.gz OOMWZDUDPYVGGA-KRWDZBQOSA-N 2 2 274.452 3.210 20 0 CGADLP C[C@H]([NH2+]Cc1ccoc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134282326 287439497 /nfs/dbraw/zinc/43/94/97/287439497.db2.gz AXMBKPLKKBLVKW-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2c(F)cccc2OC)CC1 ZINC000135093465 287460592 /nfs/dbraw/zinc/46/05/92/287460592.db2.gz MTADPRCMVMITJH-CYBMUJFWSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658328267 418937201 /nfs/dbraw/zinc/93/72/01/418937201.db2.gz ADAZOBVMLPZBQN-GDBMZVCRSA-N 2 2 299.418 3.338 20 0 CGADLP C([C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCCCC1 ZINC000659872621 419023672 /nfs/dbraw/zinc/02/36/72/419023672.db2.gz GAEMUFQDBVQNBY-XDNAFOTISA-N 2 2 276.468 3.373 20 0 CGADLP C([C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCCCC1 ZINC000659872621 419023676 /nfs/dbraw/zinc/02/36/76/419023676.db2.gz GAEMUFQDBVQNBY-XDNAFOTISA-N 2 2 276.468 3.373 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497655 419038513 /nfs/dbraw/zinc/03/85/13/419038513.db2.gz PUNNKTWYJZUPGB-MRXNPFEDSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000653497655 419038516 /nfs/dbraw/zinc/03/85/16/419038516.db2.gz PUNNKTWYJZUPGB-MRXNPFEDSA-N 2 2 264.457 3.373 20 0 CGADLP Cc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000664630890 418989659 /nfs/dbraw/zinc/98/96/59/418989659.db2.gz HVHHMCRZDIQDGK-QGZVFWFLSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000664630890 418989662 /nfs/dbraw/zinc/98/96/62/418989662.db2.gz HVHHMCRZDIQDGK-QGZVFWFLSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1[nH+]ccn1CCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653831730 419091818 /nfs/dbraw/zinc/09/18/18/419091818.db2.gz KPJDJSDFAFCDBT-UHFFFAOYSA-N 2 2 291.345 3.266 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000665298378 419110015 /nfs/dbraw/zinc/11/00/15/419110015.db2.gz VNDBRQFJHGPCBD-GXTWGEPZSA-N 2 2 264.438 3.038 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000665298703 419111133 /nfs/dbraw/zinc/11/11/33/419111133.db2.gz ZXOFNWGBKZFBGS-ZWNOBZJWSA-N 2 2 290.329 3.234 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855502 419123635 /nfs/dbraw/zinc/12/36/35/419123635.db2.gz FLOMWDPVPMBDLC-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855502 419123637 /nfs/dbraw/zinc/12/36/37/419123637.db2.gz FLOMWDPVPMBDLC-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655699979 419069115 /nfs/dbraw/zinc/06/91/15/419069115.db2.gz IRZPKWZVQPNAEW-GJZGRUSLSA-N 2 2 294.464 3.042 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)[NH+](C)C)cc1 ZINC000655703459 419070133 /nfs/dbraw/zinc/07/01/33/419070133.db2.gz QVLSQGSEQUIVCQ-OIISXLGYSA-N 2 2 292.492 3.471 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719054 419075379 /nfs/dbraw/zinc/07/53/79/419075379.db2.gz OOSDZWKJRZYYIU-HYVNUMGLSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000660464392 419148623 /nfs/dbraw/zinc/14/86/23/419148623.db2.gz ACZMTHMXBKWHGX-AWEZNQCLSA-N 2 2 297.393 3.193 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1C ZINC000656226508 419154226 /nfs/dbraw/zinc/15/42/26/419154226.db2.gz NBSIREVHZYXECK-KGLIPLIRSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1C ZINC000656226508 419154229 /nfs/dbraw/zinc/15/42/29/419154229.db2.gz NBSIREVHZYXECK-KGLIPLIRSA-N 2 2 299.422 3.004 20 0 CGADLP CC(C)(C)c1nc(NCc2ccc3c[nH+]cn3c2)cc[nH+]1 ZINC000665734374 419156183 /nfs/dbraw/zinc/15/61/83/419156183.db2.gz KIJJPTCZASZLSL-UHFFFAOYSA-N 2 2 281.363 3.034 20 0 CGADLP CC[C@H](C)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472613 419175403 /nfs/dbraw/zinc/17/54/03/419175403.db2.gz LNCYBLFEIKHPFX-LBPRGKRZSA-N 2 2 296.378 3.059 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661081 419178006 /nfs/dbraw/zinc/17/80/06/419178006.db2.gz BPXXZGZXYVNDDF-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661081 419178009 /nfs/dbraw/zinc/17/80/09/419178009.db2.gz BPXXZGZXYVNDDF-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661081 419178011 /nfs/dbraw/zinc/17/80/11/419178011.db2.gz BPXXZGZXYVNDDF-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661081 419178015 /nfs/dbraw/zinc/17/80/15/419178015.db2.gz BPXXZGZXYVNDDF-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000666079445 419187425 /nfs/dbraw/zinc/18/74/25/419187425.db2.gz UAXZVRMXVHBTBL-CQSZACIVSA-N 2 2 289.810 3.074 20 0 CGADLP Cc1ccccc1CC1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000656649097 419191917 /nfs/dbraw/zinc/19/19/17/419191917.db2.gz ONQIIPMNFWHFFE-UHFFFAOYSA-N 2 2 291.398 3.317 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655936302 419128490 /nfs/dbraw/zinc/12/84/90/419128490.db2.gz DCUIMTIKRKGVFT-BLLLJJGKSA-N 2 2 282.378 3.099 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655936302 419128494 /nfs/dbraw/zinc/12/84/94/419128494.db2.gz DCUIMTIKRKGVFT-BLLLJJGKSA-N 2 2 282.378 3.099 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657306102 419246357 /nfs/dbraw/zinc/24/63/57/419246357.db2.gz YCCXINUIDLTITK-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657306102 419246359 /nfs/dbraw/zinc/24/63/59/419246359.db2.gz YCCXINUIDLTITK-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657318589 419249577 /nfs/dbraw/zinc/24/95/77/419249577.db2.gz SQZPYKFBAHVOER-UHFFFAOYSA-N 2 2 296.418 3.350 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394308 419269279 /nfs/dbraw/zinc/26/92/79/419269279.db2.gz HRVQZQLMBPJXJF-SWLSCSKDSA-N 2 2 289.448 3.115 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394308 419269280 /nfs/dbraw/zinc/26/92/80/419269280.db2.gz HRVQZQLMBPJXJF-SWLSCSKDSA-N 2 2 289.448 3.115 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1Cl ZINC000657364719 419260455 /nfs/dbraw/zinc/26/04/55/419260455.db2.gz OPBAWOAQIBHWMM-SNVBAGLBSA-N 2 2 293.773 3.473 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657394310 419269452 /nfs/dbraw/zinc/26/94/52/419269452.db2.gz HRVQZQLMBPJXJF-WFASDCNBSA-N 2 2 289.448 3.115 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]Cc2cc3ccncc3s2)[C@@H](C)C1 ZINC000657394310 419269455 /nfs/dbraw/zinc/26/94/55/419269455.db2.gz HRVQZQLMBPJXJF-WFASDCNBSA-N 2 2 289.448 3.115 20 0 CGADLP C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661464288 419263017 /nfs/dbraw/zinc/26/30/17/419263017.db2.gz BDJUKUWCXNMITR-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661464288 419263020 /nfs/dbraw/zinc/26/30/20/419263020.db2.gz BDJUKUWCXNMITR-HNNXBMFYSA-N 2 2 297.402 3.016 20 0 CGADLP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)c(Br)c1 ZINC000656788426 419219832 /nfs/dbraw/zinc/21/98/32/419219832.db2.gz OXQGJXGWVCWLOL-UHFFFAOYSA-N 2 2 297.240 3.119 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000657390404 419268256 /nfs/dbraw/zinc/26/82/56/419268256.db2.gz CLKJOHFOGMTEGH-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657391695 419268644 /nfs/dbraw/zinc/26/86/44/419268644.db2.gz XFPXNKIIYBJZHB-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CO[C@H](CC)C2)[NH+](C)C)cc1 ZINC000657287333 419242727 /nfs/dbraw/zinc/24/27/27/419242727.db2.gz YFCCFMVSRDFGAQ-KSZLIROESA-N 2 2 290.451 3.009 20 0 CGADLP COCc1csc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000657457664 419283615 /nfs/dbraw/zinc/28/36/15/419283615.db2.gz PHFXHXYZOAGJRW-UHFFFAOYSA-N 2 2 294.464 3.001 20 0 CGADLP C[C@@](Cc1ccccc1)([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657487125 419291092 /nfs/dbraw/zinc/29/10/92/419291092.db2.gz QAHNPWDLPNNNCL-IBGZPJMESA-N 2 2 295.430 3.330 20 0 CGADLP COCCC1(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000657563315 419305724 /nfs/dbraw/zinc/30/57/24/419305724.db2.gz LPWBAVCOEZSZTA-INIZCTEOSA-N 2 2 296.499 3.436 20 0 CGADLP COCCC1(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000657563315 419305726 /nfs/dbraw/zinc/30/57/26/419305726.db2.gz LPWBAVCOEZSZTA-INIZCTEOSA-N 2 2 296.499 3.436 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000657627063 419316439 /nfs/dbraw/zinc/31/64/39/419316439.db2.gz UOCBQPSOPYJBQL-NVXWUHKLSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000657627063 419316442 /nfs/dbraw/zinc/31/64/42/419316442.db2.gz UOCBQPSOPYJBQL-NVXWUHKLSA-N 2 2 272.436 3.061 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667037 419324284 /nfs/dbraw/zinc/32/42/84/419324284.db2.gz XBIICQNBSXXKGB-FVQBIDKESA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667037 419324285 /nfs/dbraw/zinc/32/42/85/419324285.db2.gz XBIICQNBSXXKGB-FVQBIDKESA-N 2 2 294.389 3.457 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657752180 419336841 /nfs/dbraw/zinc/33/68/41/419336841.db2.gz MUVOJVVDUTZHED-DOTOQJQBSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662159160 419349642 /nfs/dbraw/zinc/34/96/42/419349642.db2.gz ZNZWVPCCQHXGBL-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662159160 419349645 /nfs/dbraw/zinc/34/96/45/419349645.db2.gz ZNZWVPCCQHXGBL-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1CCC(C3CCC3)CC1)CCC2 ZINC000657783203 419347985 /nfs/dbraw/zinc/34/79/85/419347985.db2.gz CLLSHNFTVKYJKE-UHFFFAOYSA-N 2 2 273.424 3.278 20 0 CGADLP CCOc1ccc(NCc2c[nH+]c3ccc(C)cn23)[nH+]c1C ZINC000657796207 419358330 /nfs/dbraw/zinc/35/83/30/419358330.db2.gz SMNAJYPRBSCAQS-UHFFFAOYSA-N 2 2 296.374 3.357 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCC(C)CC1 ZINC000657857706 419390264 /nfs/dbraw/zinc/39/02/64/419390264.db2.gz BIXGMZFILBSPCI-CHWSQXEVSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000657838099 419382075 /nfs/dbraw/zinc/38/20/75/419382075.db2.gz YUUXAIJJUGFILT-JHJVBQTASA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000657838099 419382079 /nfs/dbraw/zinc/38/20/79/419382079.db2.gz YUUXAIJJUGFILT-JHJVBQTASA-N 2 2 276.415 3.376 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2CC1(C)C2 ZINC000662385167 419422876 /nfs/dbraw/zinc/42/28/76/419422876.db2.gz LYCUUOAHNIMPEF-UHFFFAOYSA-N 2 2 267.376 3.165 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2CC1(C)C2 ZINC000662385167 419422885 /nfs/dbraw/zinc/42/28/85/419422885.db2.gz LYCUUOAHNIMPEF-UHFFFAOYSA-N 2 2 267.376 3.165 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000657919621 419437909 /nfs/dbraw/zinc/43/79/09/419437909.db2.gz ODMNFPNXAUSXJE-MRXNPFEDSA-N 2 2 283.419 3.428 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2cnccc2o1 ZINC000658007399 419493875 /nfs/dbraw/zinc/49/38/75/419493875.db2.gz QUJXEBGYPLKWPL-LBPRGKRZSA-N 2 2 296.374 3.211 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000658058358 419527487 /nfs/dbraw/zinc/52/74/87/419527487.db2.gz SAHCHDRVPDKXLH-JCYILVPMSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000658058358 419527498 /nfs/dbraw/zinc/52/74/98/419527498.db2.gz SAHCHDRVPDKXLH-JCYILVPMSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000658058463 419527905 /nfs/dbraw/zinc/52/79/05/419527905.db2.gz DIQUYSAGGBQORX-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000658058463 419527917 /nfs/dbraw/zinc/52/79/17/419527917.db2.gz DIQUYSAGGBQORX-QLFBSQMISA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059203 419530884 /nfs/dbraw/zinc/53/08/84/419530884.db2.gz VYIPRTLPPAMIIR-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059203 419530890 /nfs/dbraw/zinc/53/08/90/419530890.db2.gz VYIPRTLPPAMIIR-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000658059372 419531699 /nfs/dbraw/zinc/53/16/99/419531699.db2.gz ICWRDGZIDUGUAN-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000658059372 419531708 /nfs/dbraw/zinc/53/17/08/419531708.db2.gz ICWRDGZIDUGUAN-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP COC1CC[NH+](CC[NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000663317256 419553359 /nfs/dbraw/zinc/55/33/59/419553359.db2.gz BFBLJUJCJWQNAB-UHFFFAOYSA-N 2 2 290.451 3.010 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000658091690 419565732 /nfs/dbraw/zinc/56/57/32/419565732.db2.gz NCGUTDFFNLHAIS-AQFXKWCLSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000658091690 419565739 /nfs/dbraw/zinc/56/57/39/419565739.db2.gz NCGUTDFFNLHAIS-AQFXKWCLSA-N 2 2 272.436 3.395 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663346689 419566559 /nfs/dbraw/zinc/56/65/59/419566559.db2.gz CWOBCPRUOHWNND-CYBMUJFWSA-N 2 2 282.815 3.145 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663346689 419566567 /nfs/dbraw/zinc/56/65/67/419566567.db2.gz CWOBCPRUOHWNND-CYBMUJFWSA-N 2 2 282.815 3.145 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000663507204 419639438 /nfs/dbraw/zinc/63/94/38/419639438.db2.gz LWJNMECJZIHGQC-AWEZNQCLSA-N 2 2 254.377 3.051 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000663514221 419642086 /nfs/dbraw/zinc/64/20/86/419642086.db2.gz PHFRAMUYVYKUOP-CYBMUJFWSA-N 2 2 288.366 3.316 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193515 419652509 /nfs/dbraw/zinc/65/25/09/419652509.db2.gz WDTRDHBJBYGILV-HOCLYGCPSA-N 2 2 293.430 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193515 419652516 /nfs/dbraw/zinc/65/25/16/419652516.db2.gz WDTRDHBJBYGILV-HOCLYGCPSA-N 2 2 293.430 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000658288544 419736621 /nfs/dbraw/zinc/73/66/21/419736621.db2.gz VNPSOUWZKPQGLC-RHSMWYFYSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000658288544 419736634 /nfs/dbraw/zinc/73/66/34/419736634.db2.gz VNPSOUWZKPQGLC-RHSMWYFYSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000658287524 419739889 /nfs/dbraw/zinc/73/98/89/419739889.db2.gz ZOCVOFZXFQDKPR-MSOLQXFVSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000658287524 419739899 /nfs/dbraw/zinc/73/98/99/419739899.db2.gz ZOCVOFZXFQDKPR-MSOLQXFVSA-N 2 2 272.436 3.082 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294243 419741236 /nfs/dbraw/zinc/74/12/36/419741236.db2.gz GSQCDRWZGVJSQJ-YQQAZPJKSA-N 2 2 282.472 3.044 20 0 CGADLP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1F ZINC000212497483 287627251 /nfs/dbraw/zinc/62/72/51/287627251.db2.gz ILXPSYPCOAJKPZ-CYBMUJFWSA-N 2 2 291.370 3.162 20 0 CGADLP CCCCCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020549250 262249297 /nfs/dbraw/zinc/24/92/97/262249297.db2.gz UXGBEDXEOTXUFB-UHFFFAOYSA-N 2 2 290.451 3.441 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000184535170 262286129 /nfs/dbraw/zinc/28/61/29/262286129.db2.gz SWJYBYHNLNEMAQ-SFHVURJKSA-N 2 2 285.435 3.261 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000184535170 262286130 /nfs/dbraw/zinc/28/61/30/262286130.db2.gz SWJYBYHNLNEMAQ-SFHVURJKSA-N 2 2 285.435 3.261 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000033639210 270027194 /nfs/dbraw/zinc/02/71/94/270027194.db2.gz ZMQUBIRTSLCLRD-MAUKXSAKSA-N 2 2 268.404 3.468 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+](C)C ZINC000036840565 270028537 /nfs/dbraw/zinc/02/85/37/270028537.db2.gz UVFXPQHUHXYLFS-ABHNRTSZSA-N 2 2 274.452 3.499 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000040771708 270030196 /nfs/dbraw/zinc/03/01/96/270030196.db2.gz ZPMUSYVQKRMMNS-INIZCTEOSA-N 2 2 260.425 3.112 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)s1 ZINC000041202559 270031039 /nfs/dbraw/zinc/03/10/39/270031039.db2.gz KAMNYOHPRUDONK-QWHCGFSZSA-N 2 2 266.454 3.445 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)s1 ZINC000041202559 270031040 /nfs/dbraw/zinc/03/10/40/270031040.db2.gz KAMNYOHPRUDONK-QWHCGFSZSA-N 2 2 266.454 3.445 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1F ZINC000045094594 270038329 /nfs/dbraw/zinc/03/83/29/270038329.db2.gz DZNKMFXXJAUFGC-CYBMUJFWSA-N 2 2 261.344 3.153 20 0 CGADLP C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000183701454 270055961 /nfs/dbraw/zinc/05/59/61/270055961.db2.gz DVGSKNJQBWEHDG-PNESKVBLSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000183701454 270055962 /nfs/dbraw/zinc/05/59/62/270055962.db2.gz DVGSKNJQBWEHDG-PNESKVBLSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000519189883 265357321 /nfs/dbraw/zinc/35/73/21/265357321.db2.gz NMWFCFDKMZYBTQ-PPWQZUPISA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@@H](C)C1 ZINC000519189883 265357324 /nfs/dbraw/zinc/35/73/24/265357324.db2.gz NMWFCFDKMZYBTQ-PPWQZUPISA-N 2 2 252.446 3.129 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CCC[NH+](CC)CC)cs1 ZINC000191837835 270076375 /nfs/dbraw/zinc/07/63/75/270076375.db2.gz MWTJIOVLDOQMGQ-LBPRGKRZSA-N 2 2 269.458 3.088 20 0 CGADLP CCCC1CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000097929417 265640705 /nfs/dbraw/zinc/64/07/05/265640705.db2.gz BRONPEFVCHCYQR-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000322524135 270094015 /nfs/dbraw/zinc/09/40/15/270094015.db2.gz NBJQCKMMCCQBCN-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000322524135 270094016 /nfs/dbraw/zinc/09/40/16/270094016.db2.gz NBJQCKMMCCQBCN-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)n1C ZINC000521273230 270101453 /nfs/dbraw/zinc/10/14/53/270101453.db2.gz MDGBEDQQOOKDME-NNUKFRKNSA-N 2 2 291.345 3.043 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)n1C ZINC000522013771 270103771 /nfs/dbraw/zinc/10/37/71/270103771.db2.gz IGHYVIRMXJIGEW-QGZVFWFLSA-N 2 2 269.392 3.204 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000526106560 270122912 /nfs/dbraw/zinc/12/29/12/270122912.db2.gz NWZZBXZZDONGJQ-QRQLOZEOSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000526106560 270122913 /nfs/dbraw/zinc/12/29/13/270122913.db2.gz NWZZBXZZDONGJQ-QRQLOZEOSA-N 2 2 286.463 3.428 20 0 CGADLP c1nc(C2CC2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000527000423 270124395 /nfs/dbraw/zinc/12/43/95/270124395.db2.gz IRYYYISXYUYESQ-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000527355016 270127376 /nfs/dbraw/zinc/12/73/76/270127376.db2.gz AOGFIKYJRABARE-ZIAGYGMSSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000527355016 270127377 /nfs/dbraw/zinc/12/73/77/270127377.db2.gz AOGFIKYJRABARE-ZIAGYGMSSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527636840 270130271 /nfs/dbraw/zinc/13/02/71/270130271.db2.gz FCXJLPZFQXMPFL-CCKFTAQKSA-N 2 2 295.430 3.456 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527751648 270134540 /nfs/dbraw/zinc/13/45/40/270134540.db2.gz XNMZVOWJORGXQS-YJBOKZPZSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527751648 270134541 /nfs/dbraw/zinc/13/45/41/270134541.db2.gz XNMZVOWJORGXQS-YJBOKZPZSA-N 2 2 270.420 3.063 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751456 270134621 /nfs/dbraw/zinc/13/46/21/270134621.db2.gz HTXLDAQHRJTMBG-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751456 270134622 /nfs/dbraw/zinc/13/46/22/270134622.db2.gz HTXLDAQHRJTMBG-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP CCC([NH2+]Cc1cccc2[nH+]ccn21)(C1CC1)C1CC1 ZINC000527765060 270135050 /nfs/dbraw/zinc/13/50/50/270135050.db2.gz PCHLSAILKXKCEQ-UHFFFAOYSA-N 2 2 269.392 3.393 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000527804728 270137035 /nfs/dbraw/zinc/13/70/35/270137035.db2.gz AJEPMBMEUFYTMO-INIZCTEOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)[nH]1 ZINC000527804728 270137036 /nfs/dbraw/zinc/13/70/36/270137036.db2.gz AJEPMBMEUFYTMO-INIZCTEOSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527805808 270137081 /nfs/dbraw/zinc/13/70/81/270137081.db2.gz IFSVOUXMGUERSI-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000527805808 270137082 /nfs/dbraw/zinc/13/70/82/270137082.db2.gz IFSVOUXMGUERSI-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527813534 270138137 /nfs/dbraw/zinc/13/81/37/270138137.db2.gz XQRWPGQADCFMJF-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527813534 270138138 /nfs/dbraw/zinc/13/81/38/270138138.db2.gz XQRWPGQADCFMJF-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527854768 270140101 /nfs/dbraw/zinc/14/01/01/270140101.db2.gz XRBPLIKLHYKHIN-RDJZCZTQSA-N 2 2 295.430 3.252 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527891306 270142437 /nfs/dbraw/zinc/14/24/37/270142437.db2.gz MAQRPPMJNUAKHX-YALNPMBYSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC12CC2 ZINC000527903666 270143366 /nfs/dbraw/zinc/14/33/66/270143366.db2.gz ZIQRPYJOLVANFE-BURFUSLBSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC12CC2 ZINC000527903666 270143367 /nfs/dbraw/zinc/14/33/67/270143367.db2.gz ZIQRPYJOLVANFE-BURFUSLBSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945381 270146162 /nfs/dbraw/zinc/14/61/62/270146162.db2.gz GIGVIZKXXKANOU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527945381 270146163 /nfs/dbraw/zinc/14/61/63/270146163.db2.gz GIGVIZKXXKANOU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946348 270146204 /nfs/dbraw/zinc/14/62/04/270146204.db2.gz IDTJQYABUWKPHB-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527946348 270146205 /nfs/dbraw/zinc/14/62/05/270146205.db2.gz IDTJQYABUWKPHB-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527949108 270146616 /nfs/dbraw/zinc/14/66/16/270146616.db2.gz OANIBBCPAULTAL-HNNXBMFYSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527949108 270146617 /nfs/dbraw/zinc/14/66/17/270146617.db2.gz OANIBBCPAULTAL-HNNXBMFYSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527996146 270149339 /nfs/dbraw/zinc/14/93/39/270149339.db2.gz CNMZZPKDOUQZLZ-OLMNPRSZSA-N 2 2 299.418 3.479 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003548 270150643 /nfs/dbraw/zinc/15/06/43/270150643.db2.gz STFUVOWTXQOMML-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003548 270150644 /nfs/dbraw/zinc/15/06/44/270150644.db2.gz STFUVOWTXQOMML-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000528726535 270170281 /nfs/dbraw/zinc/17/02/81/270170281.db2.gz IRGWJPSHHCSKGS-QGZVFWFLSA-N 2 2 292.467 3.062 20 0 CGADLP c1cc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2[nH]1 ZINC000529553146 270184388 /nfs/dbraw/zinc/18/43/88/270184388.db2.gz FFRQRVASQJPKFD-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP COCCC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000529638243 270186576 /nfs/dbraw/zinc/18/65/76/270186576.db2.gz NGEGZDKMOYKNEI-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(C)ccc1OC ZINC000530219815 270196111 /nfs/dbraw/zinc/19/61/11/270196111.db2.gz NBZYNJXUZYUBHW-DOTOQJQBSA-N 2 2 288.435 3.329 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc2ccccc2o1 ZINC000530223605 270196638 /nfs/dbraw/zinc/19/66/38/270196638.db2.gz TXCZQHTUZXNKKC-WBMJQRKESA-N 2 2 270.376 3.368 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000531738584 270209258 /nfs/dbraw/zinc/20/92/58/270209258.db2.gz DGTQUUYLUSCDSJ-HOSILWTGSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000531738584 270209259 /nfs/dbraw/zinc/20/92/59/270209259.db2.gz DGTQUUYLUSCDSJ-HOSILWTGSA-N 2 2 252.446 3.131 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531811324 270209902 /nfs/dbraw/zinc/20/99/02/270209902.db2.gz KECURMQGLFDAFO-MHZPLBOYSA-N 2 2 270.420 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531811324 270209903 /nfs/dbraw/zinc/20/99/03/270209903.db2.gz KECURMQGLFDAFO-MHZPLBOYSA-N 2 2 270.420 3.162 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000531937023 270211049 /nfs/dbraw/zinc/21/10/49/270211049.db2.gz KACVSNGAVINUJE-YCPHGPKFSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000531937023 270211050 /nfs/dbraw/zinc/21/10/50/270211050.db2.gz KACVSNGAVINUJE-YCPHGPKFSA-N 2 2 252.446 3.274 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000531955031 270211445 /nfs/dbraw/zinc/21/14/45/270211445.db2.gz RBKSXIONOCVIHP-CLWVCHIJSA-N 2 2 276.424 3.223 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)[C@@H](C)C1 ZINC000531955031 270211446 /nfs/dbraw/zinc/21/14/46/270211446.db2.gz RBKSXIONOCVIHP-CLWVCHIJSA-N 2 2 276.424 3.223 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1C ZINC000531983579 270212387 /nfs/dbraw/zinc/21/23/87/270212387.db2.gz VTPKKLKFKVIINP-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1C ZINC000531983579 270212388 /nfs/dbraw/zinc/21/23/88/270212388.db2.gz VTPKKLKFKVIINP-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000531983853 270212493 /nfs/dbraw/zinc/21/24/93/270212493.db2.gz CBAAGRVYTMVBGT-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000531983853 270212494 /nfs/dbraw/zinc/21/24/94/270212494.db2.gz CBAAGRVYTMVBGT-CJNGLKHVSA-N 2 2 260.425 3.296 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983915 270212558 /nfs/dbraw/zinc/21/25/58/270212558.db2.gz MICGMNOPXNMIGG-CABCVRRESA-N 2 2 276.424 3.078 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983915 270212559 /nfs/dbraw/zinc/21/25/59/270212559.db2.gz MICGMNOPXNMIGG-CABCVRRESA-N 2 2 276.424 3.078 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532152 270217206 /nfs/dbraw/zinc/21/72/06/270217206.db2.gz FWRDVJTYVRDRII-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532152 270217207 /nfs/dbraw/zinc/21/72/07/270217207.db2.gz FWRDVJTYVRDRII-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000178078423 273589022 /nfs/dbraw/zinc/58/90/22/273589022.db2.gz BGIIRUHYVWETAK-INIZCTEOSA-N 2 2 269.392 3.285 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000370423828 273596619 /nfs/dbraw/zinc/59/66/19/273596619.db2.gz WAFOJTIYBGBBEZ-WBVHZDCISA-N 2 2 296.418 3.349 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346803114 274107504 /nfs/dbraw/zinc/10/75/04/274107504.db2.gz UYPMUBLGJMVXRJ-SQWLQELKSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346803114 274107506 /nfs/dbraw/zinc/10/75/06/274107506.db2.gz UYPMUBLGJMVXRJ-SQWLQELKSA-N 2 2 276.424 3.137 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347870 274334807 /nfs/dbraw/zinc/33/48/07/274334807.db2.gz YMNXOHKUCIGTLX-DOMZBBRYSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347870 274334809 /nfs/dbraw/zinc/33/48/09/274334809.db2.gz YMNXOHKUCIGTLX-DOMZBBRYSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1Cl ZINC000275347870 274334811 /nfs/dbraw/zinc/33/48/11/274334811.db2.gz YMNXOHKUCIGTLX-DOMZBBRYSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1Cl ZINC000275347870 274334812 /nfs/dbraw/zinc/33/48/12/274334812.db2.gz YMNXOHKUCIGTLX-DOMZBBRYSA-N 2 2 266.816 3.112 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H](C)C2 ZINC000491365605 274777130 /nfs/dbraw/zinc/77/71/30/274777130.db2.gz DXMNHZHVUPEFCO-XJKSGUPXSA-N 2 2 260.425 3.158 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cnccc1C)CCC2 ZINC000357796020 274824179 /nfs/dbraw/zinc/82/41/79/274824179.db2.gz OXXNUMDQAOXWEY-HUUCEWRRSA-N 2 2 284.407 3.123 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423390129 274849036 /nfs/dbraw/zinc/84/90/36/274849036.db2.gz OGEMTMXAADGPOL-JSGCOSHPSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423390132 274849601 /nfs/dbraw/zinc/84/96/01/274849601.db2.gz OGEMTMXAADGPOL-TZMCWYRMSA-N 2 2 293.480 3.197 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2CCc3ccccc3CC2)[nH+]1 ZINC000449597025 275073023 /nfs/dbraw/zinc/07/30/23/275073023.db2.gz YKEBWIPTAUKROB-UHFFFAOYSA-N 2 2 291.398 3.372 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000474802814 275678911 /nfs/dbraw/zinc/67/89/11/275678911.db2.gz TXYPLKWNJUPVQO-PMPSAXMXSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427856382 276023492 /nfs/dbraw/zinc/02/34/92/276023492.db2.gz VXKDRWSJZCFJOO-RDJZCZTQSA-N 2 2 269.392 3.185 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549592 276073715 /nfs/dbraw/zinc/07/37/15/276073715.db2.gz OCXYJJKXXMOFFB-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549592 276073716 /nfs/dbraw/zinc/07/37/16/276073716.db2.gz OCXYJJKXXMOFFB-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549592 276073717 /nfs/dbraw/zinc/07/37/17/276073717.db2.gz OCXYJJKXXMOFFB-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549592 276073719 /nfs/dbraw/zinc/07/37/19/276073719.db2.gz OCXYJJKXXMOFFB-KGLIPLIRSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000348391050 276109233 /nfs/dbraw/zinc/10/92/33/276109233.db2.gz QSFDSZHHNGNXOF-UKRRQHHQSA-N 2 2 281.469 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383345 276187711 /nfs/dbraw/zinc/18/77/11/276187711.db2.gz FILIFNKWUJQPLS-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383345 276187712 /nfs/dbraw/zinc/18/77/12/276187712.db2.gz FILIFNKWUJQPLS-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000344630281 276253424 /nfs/dbraw/zinc/25/34/24/276253424.db2.gz MBNJPPXAWGWOLE-IMJJTQAJSA-N 2 2 288.435 3.219 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000344630281 276253426 /nfs/dbraw/zinc/25/34/26/276253426.db2.gz MBNJPPXAWGWOLE-IMJJTQAJSA-N 2 2 288.435 3.219 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000359597156 276373907 /nfs/dbraw/zinc/37/39/07/276373907.db2.gz QWTOZDIFVRBCKH-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2C ZINC000359597156 276373908 /nfs/dbraw/zinc/37/39/08/276373908.db2.gz QWTOZDIFVRBCKH-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423507898 276383781 /nfs/dbraw/zinc/38/37/81/276383781.db2.gz IRUXBAZGFRQHDL-BBRMVZONSA-N 2 2 276.424 3.253 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423271115 276383809 /nfs/dbraw/zinc/38/38/09/276383809.db2.gz XGDWQTLMHDAVHP-UONOGXRCSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000354167076 276516207 /nfs/dbraw/zinc/51/62/07/276516207.db2.gz NGMQQRXYONFBLT-FPCVCCKLSA-N 2 2 284.513 3.228 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)Cc2ccccc2C1 ZINC000474034312 276771383 /nfs/dbraw/zinc/77/13/83/276771383.db2.gz PGZZXSIVCDELIN-SFHVURJKSA-N 2 2 298.474 3.398 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000251234940 277280122 /nfs/dbraw/zinc/28/01/22/277280122.db2.gz CHEOQTIBGOLCAO-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC000251234940 277280123 /nfs/dbraw/zinc/28/01/23/277280123.db2.gz CHEOQTIBGOLCAO-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786950 277729251 /nfs/dbraw/zinc/72/92/51/277729251.db2.gz PIRYRUPROZBWDK-VBNZEHGJSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000361763201 287985240 /nfs/dbraw/zinc/98/52/40/287985240.db2.gz DIYJHJMUVLOYHH-RDJZCZTQSA-N 2 2 299.418 3.085 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)C[N@@H+]1C1CC1 ZINC000421362128 278024941 /nfs/dbraw/zinc/02/49/41/278024941.db2.gz IFTOFLWTWHMSCZ-KGLIPLIRSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCCCC3)C[N@H+]1C1CC1 ZINC000421362128 278024942 /nfs/dbraw/zinc/02/49/42/278024942.db2.gz IFTOFLWTWHMSCZ-KGLIPLIRSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494891823 278024978 /nfs/dbraw/zinc/02/49/78/278024978.db2.gz KTRWNZDFLLEVDS-RKVPGOIHSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000494891823 278024979 /nfs/dbraw/zinc/02/49/79/278024979.db2.gz KTRWNZDFLLEVDS-RKVPGOIHSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281875127 278254217 /nfs/dbraw/zinc/25/42/17/278254217.db2.gz FQABKDKIZUWCMN-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1Cl ZINC000423378168 278284529 /nfs/dbraw/zinc/28/45/29/278284529.db2.gz ZKANTRLJWXANHA-BFVZDQMLSA-N 2 2 270.779 3.128 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1CC1(C)C ZINC000397818194 288031566 /nfs/dbraw/zinc/03/15/66/288031566.db2.gz UUJQGPJNMXQGBU-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC1(C)C ZINC000397818194 288031570 /nfs/dbraw/zinc/03/15/70/288031570.db2.gz UUJQGPJNMXQGBU-HOCLYGCPSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866938 288033209 /nfs/dbraw/zinc/03/32/09/288033209.db2.gz GKQZEADTAHZMRD-QAPCUYQASA-N 2 2 298.434 3.115 20 0 CGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866938 288033211 /nfs/dbraw/zinc/03/32/11/288033211.db2.gz GKQZEADTAHZMRD-QAPCUYQASA-N 2 2 298.434 3.115 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000414679842 278369496 /nfs/dbraw/zinc/36/94/96/278369496.db2.gz SDDPWAHIHNOMDA-CYBMUJFWSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000414679842 278369498 /nfs/dbraw/zinc/36/94/98/278369498.db2.gz SDDPWAHIHNOMDA-CYBMUJFWSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC(F)(F)CC1 ZINC000336002959 278375930 /nfs/dbraw/zinc/37/59/30/278375930.db2.gz KIRBQRNVUTXXEP-ZYHUDNBSSA-N 2 2 283.366 3.071 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336002959 278375931 /nfs/dbraw/zinc/37/59/31/278375931.db2.gz KIRBQRNVUTXXEP-ZYHUDNBSSA-N 2 2 283.366 3.071 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495095815 278425604 /nfs/dbraw/zinc/42/56/04/278425604.db2.gz YQACBCQSEGIWKM-LLDVTBCESA-N 2 2 287.451 3.241 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(F)cc1F ZINC000423271547 288063129 /nfs/dbraw/zinc/06/31/29/288063129.db2.gz XYIXIHBYNBUTDR-DOMZBBRYSA-N 2 2 270.367 3.379 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC)cc1 ZINC000346792903 288066878 /nfs/dbraw/zinc/06/68/78/288066878.db2.gz DVVJQOXNFWUBTM-RRQGHBQHSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC)cc1 ZINC000346792903 288066880 /nfs/dbraw/zinc/06/68/80/288066880.db2.gz DVVJQOXNFWUBTM-RRQGHBQHSA-N 2 2 276.424 3.219 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423381125 278945138 /nfs/dbraw/zinc/94/51/38/278945138.db2.gz HSAKUCZXDBNWBO-GOEBONIOSA-N 2 2 275.440 3.291 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Br ZINC000423268736 278978272 /nfs/dbraw/zinc/97/82/72/278978272.db2.gz GIBRXDQAGMXXPJ-RYUDHWBXSA-N 2 2 299.256 3.473 20 0 CGADLP CSc1ccc(F)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459412251 288091655 /nfs/dbraw/zinc/09/16/55/288091655.db2.gz FSNYOUQXHZLTEK-UHFFFAOYSA-N 2 2 294.439 3.264 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386166 279005365 /nfs/dbraw/zinc/00/53/65/279005365.db2.gz STIUGIUKNYBVCO-RHSMWYFYSA-N 2 2 298.434 3.069 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386166 279005367 /nfs/dbraw/zinc/00/53/67/279005367.db2.gz STIUGIUKNYBVCO-RHSMWYFYSA-N 2 2 298.434 3.069 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000019905949 279165165 /nfs/dbraw/zinc/16/51/65/279165165.db2.gz UUACXCLMGOBESE-HZPDHXFCSA-N 2 2 278.465 3.165 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494524816 279251656 /nfs/dbraw/zinc/25/16/56/279251656.db2.gz FQUHUWDVMIWYOL-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494524816 279251658 /nfs/dbraw/zinc/25/16/58/279251658.db2.gz FQUHUWDVMIWYOL-CPUCHLNUSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000348287945 279280008 /nfs/dbraw/zinc/28/00/08/279280008.db2.gz IVQBSJIVZWGVGG-NWDGAFQWSA-N 2 2 288.357 3.176 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020092032 279336170 /nfs/dbraw/zinc/33/61/70/279336170.db2.gz NFXGWFREBVOISJ-JSGCOSHPSA-N 2 2 266.454 3.500 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000020092032 279336173 /nfs/dbraw/zinc/33/61/73/279336173.db2.gz NFXGWFREBVOISJ-JSGCOSHPSA-N 2 2 266.454 3.500 20 0 CGADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000448056884 279346260 /nfs/dbraw/zinc/34/62/60/279346260.db2.gz SPXYTBKSLLAWPD-OAHLLOKOSA-N 2 2 284.447 3.356 20 0 CGADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000448056884 279346264 /nfs/dbraw/zinc/34/62/64/279346264.db2.gz SPXYTBKSLLAWPD-OAHLLOKOSA-N 2 2 284.447 3.356 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000517714169 288133090 /nfs/dbraw/zinc/13/30/90/288133090.db2.gz YQMNOGFDRMHRBA-GUYCJALGSA-N 2 2 286.444 3.156 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1Cl ZINC000423551742 279533598 /nfs/dbraw/zinc/53/35/98/279533598.db2.gz JLUWFUAKWZQGRP-RYUDHWBXSA-N 2 2 252.789 3.133 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000521847386 288140366 /nfs/dbraw/zinc/14/03/66/288140366.db2.gz XZAGJJKXIXILCO-MSOLQXFVSA-N 2 2 272.436 3.248 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CS1 ZINC000488542424 280032801 /nfs/dbraw/zinc/03/28/01/280032801.db2.gz ZPSAXAQULZYADD-PMPSAXMXSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2OC)[NH+]1CCCC1 ZINC000360064530 280146168 /nfs/dbraw/zinc/14/61/68/280146168.db2.gz VARMTQBOWIUOAF-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000437101710 280229812 /nfs/dbraw/zinc/22/98/12/280229812.db2.gz ZMLRSCVUWPCKCX-LOWVWBTDSA-N 2 2 278.362 3.178 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000437101710 280229813 /nfs/dbraw/zinc/22/98/13/280229813.db2.gz ZMLRSCVUWPCKCX-LOWVWBTDSA-N 2 2 278.362 3.178 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427890977 280546002 /nfs/dbraw/zinc/54/60/02/280546002.db2.gz KSOOFAXHOGYNIT-APIJFGDWSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423196625 280629993 /nfs/dbraw/zinc/62/99/93/280629993.db2.gz VSZJKABUZLSTOH-DOTOQJQBSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CC(F)(F)C1 ZINC000529532925 288258774 /nfs/dbraw/zinc/25/87/74/288258774.db2.gz QJHHJKQJWJXVFI-CZUORRHYSA-N 2 2 296.405 3.183 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427850819 280957105 /nfs/dbraw/zinc/95/71/05/280957105.db2.gz BMSLDTOHEYYHFC-OKZBNKHCSA-N 2 2 295.430 3.432 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000165950224 281117659 /nfs/dbraw/zinc/11/76/59/281117659.db2.gz QEZAKSVZOKSPFU-QGZVFWFLSA-N 2 2 269.392 3.249 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)CCC2 ZINC000346798518 281122989 /nfs/dbraw/zinc/12/29/89/281122989.db2.gz UXGILOBOJOTWND-BMGDILEWSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)CCC2 ZINC000346798518 281122991 /nfs/dbraw/zinc/12/29/91/281122991.db2.gz UXGILOBOJOTWND-BMGDILEWSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCO2 ZINC000353624378 281126257 /nfs/dbraw/zinc/12/62/57/281126257.db2.gz PWCBBHMBHQVAPL-DZGCQCFKSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCO2 ZINC000353624378 281126258 /nfs/dbraw/zinc/12/62/58/281126258.db2.gz PWCBBHMBHQVAPL-DZGCQCFKSA-N 2 2 297.402 3.079 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179477 288296364 /nfs/dbraw/zinc/29/63/64/288296364.db2.gz YJWGTDFKBSJBGR-HNNXBMFYSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CCC2 ZINC000335757820 281549432 /nfs/dbraw/zinc/54/94/32/281549432.db2.gz GHWHBBHLXNPVMZ-KGLIPLIRSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473193 288363556 /nfs/dbraw/zinc/36/35/56/288363556.db2.gz XBWWANHOSUSDOQ-WMLDXEAASA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473193 288363558 /nfs/dbraw/zinc/36/35/58/288363558.db2.gz XBWWANHOSUSDOQ-WMLDXEAASA-N 2 2 288.435 3.048 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000535593909 288452580 /nfs/dbraw/zinc/45/25/80/288452580.db2.gz NSYFOVJZPNZOEW-VMPITWQZSA-N 2 2 293.414 3.225 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000535688963 288455149 /nfs/dbraw/zinc/45/51/49/288455149.db2.gz CIZZHJJWWACYGN-KRWDZBQOSA-N 2 2 295.430 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000336812799 288562363 /nfs/dbraw/zinc/56/23/63/288562363.db2.gz SHJNRUQFJCNZLE-RHSMWYFYSA-N 2 2 258.409 3.310 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(CC)CC ZINC000540595906 288662983 /nfs/dbraw/zinc/66/29/83/288662983.db2.gz GOFCEQRZRIRTJU-HZPDHXFCSA-N 2 2 293.455 3.237 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000548880866 289027050 /nfs/dbraw/zinc/02/70/50/289027050.db2.gz FNABXGNLOZUAHB-BSDSXHPESA-N 2 2 272.436 3.376 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@@H+]1C ZINC000437782109 289060496 /nfs/dbraw/zinc/06/04/96/289060496.db2.gz YCYRRBRWKXCGIW-YVECIDJPSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[N@H+]1C ZINC000437782109 289060499 /nfs/dbraw/zinc/06/04/99/289060499.db2.gz YCYRRBRWKXCGIW-YVECIDJPSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550648254 289080183 /nfs/dbraw/zinc/08/01/83/289080183.db2.gz ZVGSCYDRFNBGDU-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550648254 289080184 /nfs/dbraw/zinc/08/01/84/289080184.db2.gz ZVGSCYDRFNBGDU-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000551010232 289095241 /nfs/dbraw/zinc/09/52/41/289095241.db2.gz YIWWREVACUMVDW-HKUYNNGSSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000551010232 289095244 /nfs/dbraw/zinc/09/52/44/289095244.db2.gz YIWWREVACUMVDW-HKUYNNGSSA-N 2 2 295.430 3.315 20 0 CGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)on1 ZINC000551052211 289096851 /nfs/dbraw/zinc/09/68/51/289096851.db2.gz WZZFKBKUAYGHHB-SJLPKXTDSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)on1 ZINC000551052211 289096856 /nfs/dbraw/zinc/09/68/56/289096856.db2.gz WZZFKBKUAYGHHB-SJLPKXTDSA-N 2 2 299.418 3.162 20 0 CGADLP CCCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000551227009 289102970 /nfs/dbraw/zinc/10/29/70/289102970.db2.gz YNZTXVANJBHEMR-UHFFFAOYSA-N 2 2 299.418 3.298 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]CC2CCCCC2)cc1 ZINC000551577130 289123400 /nfs/dbraw/zinc/12/34/00/289123400.db2.gz TTXCQXVMSKXZCL-SFHVURJKSA-N 2 2 290.451 3.468 20 0 CGADLP Cc1ccc2[nH+]ccc(NCc3c[nH+]c4n3CCCC4)c2c1 ZINC000553591861 289230702 /nfs/dbraw/zinc/23/07/02/289230702.db2.gz WXJPRLGJGMOXFH-UHFFFAOYSA-N 2 2 292.386 3.110 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000554048336 289253127 /nfs/dbraw/zinc/25/31/27/289253127.db2.gz QJEKVZUFNAQROT-RANZSIQMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000554048336 289253128 /nfs/dbraw/zinc/25/31/28/289253128.db2.gz QJEKVZUFNAQROT-RANZSIQMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000554089518 289257292 /nfs/dbraw/zinc/25/72/92/289257292.db2.gz UFRIOKKCIQJOIJ-NRSFXHEJSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000554089518 289257293 /nfs/dbraw/zinc/25/72/93/289257293.db2.gz UFRIOKKCIQJOIJ-NRSFXHEJSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000554347878 289273015 /nfs/dbraw/zinc/27/30/15/289273015.db2.gz XWNAQYIMXJVYTR-SJORKVTESA-N 2 2 294.483 3.047 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)cc1F ZINC000554550639 289291368 /nfs/dbraw/zinc/29/13/68/289291368.db2.gz NZRYQOFRSNHDID-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)cc1F ZINC000554550639 289291371 /nfs/dbraw/zinc/29/13/71/289291371.db2.gz NZRYQOFRSNHDID-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP Cc1cccn2c(C[NH2+]CC(C)(C)C(F)(F)F)c[nH+]c12 ZINC000554655905 289298558 /nfs/dbraw/zinc/29/85/58/289298558.db2.gz VCMYMPFWVRXAPV-UHFFFAOYSA-N 2 2 285.313 3.321 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000554717624 289302492 /nfs/dbraw/zinc/30/24/92/289302492.db2.gz CGYXGRNJKOHWEF-RCCFBDPRSA-N 2 2 295.430 3.252 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC000453056012 289364174 /nfs/dbraw/zinc/36/41/74/289364174.db2.gz KKOKDEFUGRLQTB-QZTJIDSGSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000556155890 289373971 /nfs/dbraw/zinc/37/39/71/289373971.db2.gz LSCKAYXRYVABCI-BTTYYORXSA-N 2 2 287.407 3.041 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000556236018 289379387 /nfs/dbraw/zinc/37/93/87/289379387.db2.gz DXNSGWBGSURSRE-OWCLPIDISA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000556236018 289379389 /nfs/dbraw/zinc/37/93/89/289379389.db2.gz DXNSGWBGSURSRE-OWCLPIDISA-N 2 2 250.430 3.338 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000560249959 289579438 /nfs/dbraw/zinc/57/94/38/289579438.db2.gz KJKYZAPGTRVBNH-BZUAXINKSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000353251927 290006669 /nfs/dbraw/zinc/00/66/69/290006669.db2.gz RMIJEFXEZZLWKQ-SGMGOOAPSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000353251927 290006670 /nfs/dbraw/zinc/00/66/70/290006670.db2.gz RMIJEFXEZZLWKQ-SGMGOOAPSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000050341629 290019214 /nfs/dbraw/zinc/01/92/14/290019214.db2.gz SGKGFTXCKYHRFO-IACUBPJLSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000050341629 290019218 /nfs/dbraw/zinc/01/92/18/290019218.db2.gz SGKGFTXCKYHRFO-IACUBPJLSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 ZINC000343642926 290255756 /nfs/dbraw/zinc/25/57/56/290255756.db2.gz QDOQROIFRBJDHW-FVQBIDKESA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 ZINC000343642926 290255758 /nfs/dbraw/zinc/25/57/58/290255758.db2.gz QDOQROIFRBJDHW-FVQBIDKESA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227145 300226062 /nfs/dbraw/zinc/22/60/62/300226062.db2.gz NSTVVCWLGMZZKX-OSRSDYAFSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227145 300226064 /nfs/dbraw/zinc/22/60/64/300226064.db2.gz NSTVVCWLGMZZKX-OSRSDYAFSA-N 2 2 258.409 3.165 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423356564 301021576 /nfs/dbraw/zinc/02/15/76/301021576.db2.gz GVNBTTODHUISFX-CORIIIEPSA-N 2 2 272.392 3.390 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000443013731 302208680 /nfs/dbraw/zinc/20/86/80/302208680.db2.gz MIDYRIYHKXFKJY-JZXOWHBKSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000248075474 302247806 /nfs/dbraw/zinc/24/78/06/302247806.db2.gz MXKYBMWZJHOHDC-HRCADAONSA-N 2 2 275.440 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000248075474 302247808 /nfs/dbraw/zinc/24/78/08/302247808.db2.gz MXKYBMWZJHOHDC-HRCADAONSA-N 2 2 275.440 3.159 20 0 CGADLP Fc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000245922873 303136786 /nfs/dbraw/zinc/13/67/86/303136786.db2.gz RBWOOWCMZAXITN-KGLIPLIRSA-N 2 2 274.383 3.031 20 0 CGADLP Fc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245922873 303136788 /nfs/dbraw/zinc/13/67/88/303136788.db2.gz RBWOOWCMZAXITN-KGLIPLIRSA-N 2 2 274.383 3.031 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCCC1 ZINC000423181363 303359548 /nfs/dbraw/zinc/35/95/48/303359548.db2.gz PAFJBJAOMPQXMC-SFHVURJKSA-N 2 2 295.430 3.422 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCCCC1 ZINC000423181362 303359869 /nfs/dbraw/zinc/35/98/69/303359869.db2.gz PAFJBJAOMPQXMC-GOSISDBHSA-N 2 2 295.430 3.422 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000564893271 322048186 /nfs/dbraw/zinc/04/81/86/322048186.db2.gz KTPLDMVTTSOQBY-KBPBESRZSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000564893271 322048187 /nfs/dbraw/zinc/04/81/87/322048187.db2.gz KTPLDMVTTSOQBY-KBPBESRZSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H](C)Cn1cc[nH+]c1 ZINC000564893062 322048365 /nfs/dbraw/zinc/04/83/65/322048365.db2.gz RPJUBURSYHPUJN-CYBMUJFWSA-N 2 2 266.348 3.240 20 0 CGADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000567825426 322179085 /nfs/dbraw/zinc/17/90/85/322179085.db2.gz LSAVYDKKIBWSIO-BZUAXINKSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000568165332 322195651 /nfs/dbraw/zinc/19/56/51/322195651.db2.gz LBRNNQUNZNVKME-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1c1ccccc1 ZINC000568165332 322195652 /nfs/dbraw/zinc/19/56/52/322195652.db2.gz LBRNNQUNZNVKME-YOEHRIQHSA-N 2 2 269.392 3.046 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568269608 322201887 /nfs/dbraw/zinc/20/18/87/322201887.db2.gz QSNPGQPLLGIJPU-ZIAGYGMSSA-N 2 2 261.413 3.146 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568356951 322205684 /nfs/dbraw/zinc/20/56/84/322205684.db2.gz LBBVBLDSQOIUAZ-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568356951 322205685 /nfs/dbraw/zinc/20/56/85/322205685.db2.gz LBBVBLDSQOIUAZ-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CO2 ZINC000569350029 322244258 /nfs/dbraw/zinc/24/42/58/322244258.db2.gz ONYZFPLJOUIVRU-BRWVUGGUSA-N 2 2 280.371 3.163 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000569474234 322248343 /nfs/dbraw/zinc/24/83/43/322248343.db2.gz MUSBVUUDPKALOG-DOMZBBRYSA-N 2 2 273.380 3.470 20 0 CGADLP Clc1cc(C[NH2+]CCC[NH+]2CCC2)c(Cl)s1 ZINC000570342933 322271325 /nfs/dbraw/zinc/27/13/25/322271325.db2.gz HJUJYPHNMSYDHF-UHFFFAOYSA-N 2 2 279.236 3.240 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(C3CC3)cc1)CCCC2 ZINC000570537695 322276151 /nfs/dbraw/zinc/27/61/51/322276151.db2.gz KCSKSOXKQYOCFR-UHFFFAOYSA-N 2 2 281.403 3.387 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000571156561 322291469 /nfs/dbraw/zinc/29/14/69/322291469.db2.gz YRNUCGXXUHAZKI-SJLPKXTDSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)[C@H](C)O)c1ccc(Cl)cc1 ZINC000571316189 322295456 /nfs/dbraw/zinc/29/54/56/322295456.db2.gz XFGJMFDXTMOPRJ-DVOMOZLQSA-N 2 2 298.858 3.082 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)[C@H](C)O)c1ccc(Cl)cc1 ZINC000571316189 322295458 /nfs/dbraw/zinc/29/54/58/322295458.db2.gz XFGJMFDXTMOPRJ-DVOMOZLQSA-N 2 2 298.858 3.082 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)c[nH+]1 ZINC000572257993 322328075 /nfs/dbraw/zinc/32/80/75/322328075.db2.gz GOSKBFPVWKAFSP-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CC1(C)CC1 ZINC000572431714 322336847 /nfs/dbraw/zinc/33/68/47/322336847.db2.gz LTEJUZQGMIGOGY-UHFFFAOYSA-N 2 2 257.381 3.125 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502696 322390925 /nfs/dbraw/zinc/39/09/25/322390925.db2.gz CLNYGNGYYLAXSZ-CYBMUJFWSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502696 322390928 /nfs/dbraw/zinc/39/09/28/322390928.db2.gz CLNYGNGYYLAXSZ-CYBMUJFWSA-N 2 2 289.810 3.371 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000583363844 327322239 /nfs/dbraw/zinc/32/22/39/327322239.db2.gz YTCTUBKZFGKFQD-INIZCTEOSA-N 2 2 286.423 3.059 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378212 329306953 /nfs/dbraw/zinc/30/69/53/329306953.db2.gz BGHPVFVJSAWPRA-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378212 329306955 /nfs/dbraw/zinc/30/69/55/329306955.db2.gz BGHPVFVJSAWPRA-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378212 329306957 /nfs/dbraw/zinc/30/69/57/329306957.db2.gz BGHPVFVJSAWPRA-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378212 329306958 /nfs/dbraw/zinc/30/69/58/329306958.db2.gz BGHPVFVJSAWPRA-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC3=CCCCC3)cc2)c[nH+]1 ZINC000379591134 330137950 /nfs/dbraw/zinc/13/79/50/330137950.db2.gz WMUNBPDVHNIWJW-UHFFFAOYSA-N 2 2 267.376 3.462 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000576436605 335203343 /nfs/dbraw/zinc/20/33/43/335203343.db2.gz XPQUCLFQAFUQMR-DPAVQSFQSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000576436605 335203344 /nfs/dbraw/zinc/20/33/44/335203344.db2.gz XPQUCLFQAFUQMR-DPAVQSFQSA-N 2 2 281.403 3.049 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576574582 335220317 /nfs/dbraw/zinc/22/03/17/335220317.db2.gz ZXNZGEPMJMOWCG-GVDBMIGSSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576574582 335220318 /nfs/dbraw/zinc/22/03/18/335220318.db2.gz ZXNZGEPMJMOWCG-GVDBMIGSSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576574582 335220320 /nfs/dbraw/zinc/22/03/20/335220320.db2.gz ZXNZGEPMJMOWCG-GVDBMIGSSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576574582 335220322 /nfs/dbraw/zinc/22/03/22/335220322.db2.gz ZXNZGEPMJMOWCG-GVDBMIGSSA-N 2 2 258.409 3.306 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1C ZINC000577005560 335277811 /nfs/dbraw/zinc/27/78/11/335277811.db2.gz AVMQLBCYOQGSDQ-UHFFFAOYSA-N 2 2 287.382 3.427 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000577050768 335290080 /nfs/dbraw/zinc/29/00/80/335290080.db2.gz KTELUGNZNAUHCH-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000577050768 335290082 /nfs/dbraw/zinc/29/00/82/335290082.db2.gz KTELUGNZNAUHCH-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000577214473 335323939 /nfs/dbraw/zinc/32/39/39/335323939.db2.gz XHSQHXCGNCFXOQ-IIAWOOMASA-N 2 2 276.424 3.265 20 0 CGADLP CC[NH+](CC)[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000577488082 335357707 /nfs/dbraw/zinc/35/77/07/335357707.db2.gz NYPNRUGKKPHYNZ-MRXNPFEDSA-N 2 2 283.419 3.464 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000577634811 335383784 /nfs/dbraw/zinc/38/37/84/335383784.db2.gz ZSTBAVIVOOLGIW-BJZITVGISA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000577634811 335383785 /nfs/dbraw/zinc/38/37/85/335383785.db2.gz ZSTBAVIVOOLGIW-BJZITVGISA-N 2 2 284.447 3.395 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccoc1)C(C)C ZINC000178220313 335422289 /nfs/dbraw/zinc/42/22/89/335422289.db2.gz QQNNLOGPUQKEDD-CQSZACIVSA-N 2 2 252.402 3.439 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCSCC2)CCCC1 ZINC000579616458 335823954 /nfs/dbraw/zinc/82/39/54/335823954.db2.gz DRNBMYWTYVHZPW-XHSDSOJGSA-N 2 2 294.508 3.126 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000382081772 336081454 /nfs/dbraw/zinc/08/14/54/336081454.db2.gz WDTDDWXLAYEWRL-AHCXZYCDSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000382081772 336081455 /nfs/dbraw/zinc/08/14/55/336081455.db2.gz WDTDDWXLAYEWRL-AHCXZYCDSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581469228 336084674 /nfs/dbraw/zinc/08/46/74/336084674.db2.gz PFJBLWFBOIDFHU-MXSMSXNCSA-N 2 2 290.451 3.143 20 0 CGADLP CC/C=C\C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384745012 336130259 /nfs/dbraw/zinc/13/02/59/336130259.db2.gz MQKZNJPODWGONH-WSNITJDQSA-N 2 2 255.365 3.489 20 0 CGADLP Cn1c[nH+]cc1CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269327089 501024384 /nfs/dbraw/zinc/02/43/84/501024384.db2.gz UITLRFAHAHGBFV-UHFFFAOYSA-N 2 2 298.434 3.061 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449224585 533922244 /nfs/dbraw/zinc/92/22/44/533922244.db2.gz MHZYQXVZGKQSND-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100927 533982821 /nfs/dbraw/zinc/98/28/21/533982821.db2.gz JDVQQJLGLAGOND-IUODEOHRSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100927 533982825 /nfs/dbraw/zinc/98/28/25/533982825.db2.gz JDVQQJLGLAGOND-IUODEOHRSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000427896036 533992192 /nfs/dbraw/zinc/99/21/92/533992192.db2.gz OOSKFOQSSRVQAZ-GOEBONIOSA-N 2 2 283.419 3.154 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959246 534231954 /nfs/dbraw/zinc/23/19/54/534231954.db2.gz SDUPMSAPVSSSIM-LIRRHRJNSA-N 2 2 298.405 3.233 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000084862643 519843782 /nfs/dbraw/zinc/84/37/82/519843782.db2.gz SMEYRJRYEWSGNS-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000084862643 519843783 /nfs/dbraw/zinc/84/37/83/519843783.db2.gz SMEYRJRYEWSGNS-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc2c1 ZINC000423330343 534474309 /nfs/dbraw/zinc/47/43/09/534474309.db2.gz UENIAHVTSMTQHR-SMDDNHRTSA-N 2 2 258.365 3.129 20 0 CGADLP Cc1occc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000414272774 534577275 /nfs/dbraw/zinc/57/72/75/534577275.db2.gz NZDJBGDDBHQZCA-UHFFFAOYSA-N 2 2 295.386 3.165 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037643684 521710355 /nfs/dbraw/zinc/71/03/55/521710355.db2.gz OZHYXBHWAUBQJT-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037643684 521710357 /nfs/dbraw/zinc/71/03/57/521710357.db2.gz OZHYXBHWAUBQJT-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000151707786 522914184 /nfs/dbraw/zinc/91/41/84/522914184.db2.gz CZQFQJKFSGMAFZ-QILLFSRXSA-N 2 2 299.418 3.338 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)s1 ZINC000163446116 524025144 /nfs/dbraw/zinc/02/51/44/524025144.db2.gz TXBMHDYFLXLKRH-ZIAGYGMSSA-N 2 2 296.480 3.072 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)s1 ZINC000163446116 524025145 /nfs/dbraw/zinc/02/51/45/524025145.db2.gz TXBMHDYFLXLKRH-ZIAGYGMSSA-N 2 2 296.480 3.072 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149695791 525390132 /nfs/dbraw/zinc/39/01/32/525390132.db2.gz HCPJYMGUFQIARV-BBRMVZONSA-N 2 2 287.432 3.419 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000054764730 525477404 /nfs/dbraw/zinc/47/74/04/525477404.db2.gz DMOJUJVGGWVDGZ-VIFPVBQESA-N 2 2 269.270 3.279 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000054765226 525552118 /nfs/dbraw/zinc/55/21/18/525552118.db2.gz INOCKXWGQCESQH-SECBINFHSA-N 2 2 280.169 3.023 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423548600 534879637 /nfs/dbraw/zinc/87/96/37/534879637.db2.gz GWLFDJVJBBAWIO-AAEUAGOBSA-N 2 2 281.469 3.368 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358160330 528117098 /nfs/dbraw/zinc/11/70/98/528117098.db2.gz DFEGSYACZPCAGJ-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358160330 528117102 /nfs/dbraw/zinc/11/71/02/528117102.db2.gz DFEGSYACZPCAGJ-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103953 528204701 /nfs/dbraw/zinc/20/47/01/528204701.db2.gz ZMQHYBIWPDCTBQ-UKRRQHHQSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103953 528204704 /nfs/dbraw/zinc/20/47/04/528204704.db2.gz ZMQHYBIWPDCTBQ-UKRRQHHQSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000423543802 528301915 /nfs/dbraw/zinc/30/19/15/528301915.db2.gz CEAXQSHRVAVZMV-LLVKDONJSA-N 2 2 267.442 3.059 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423253070 528334156 /nfs/dbraw/zinc/33/41/56/528334156.db2.gz YNRYOLDQNSKCGD-CQSZACIVSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423235363 528334187 /nfs/dbraw/zinc/33/41/87/528334187.db2.gz AONZICFMJMBYMA-CYBMUJFWSA-N 2 2 260.381 3.310 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423307828 528512638 /nfs/dbraw/zinc/51/26/38/528512638.db2.gz HWDQFAUJNNQWFR-VIFPVBQESA-N 2 2 291.258 3.161 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423309703 528513203 /nfs/dbraw/zinc/51/32/03/528513203.db2.gz LUGMWWRFAQNUOM-NSHDSACASA-N 2 2 285.229 3.099 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1Br ZINC000423268737 528519796 /nfs/dbraw/zinc/51/97/96/528519796.db2.gz GIBRXDQAGMXXPJ-VXGBXAGGSA-N 2 2 299.256 3.473 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC000425374922 528621827 /nfs/dbraw/zinc/62/18/27/528621827.db2.gz YFXMOVIWPHVLGK-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCCc2ccccc2CC1 ZINC000425374922 528621834 /nfs/dbraw/zinc/62/18/34/528621834.db2.gz YFXMOVIWPHVLGK-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427889306 528721478 /nfs/dbraw/zinc/72/14/78/528721478.db2.gz GLFMOZYIEXQFBI-ZBFHGGJFSA-N 2 2 299.418 3.338 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1OCCC ZINC000423342878 528721920 /nfs/dbraw/zinc/72/19/20/528721920.db2.gz ZDROQERMFVJKNL-ZIAGYGMSSA-N 2 2 294.439 3.262 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)o1 ZINC000428246136 528723619 /nfs/dbraw/zinc/72/36/19/528723619.db2.gz QVFIKIXXCSODHH-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)o1 ZINC000428246136 528723626 /nfs/dbraw/zinc/72/36/26/528723626.db2.gz QVFIKIXXCSODHH-HNNXBMFYSA-N 2 2 293.455 3.099 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422874713 528760464 /nfs/dbraw/zinc/76/04/64/528760464.db2.gz AQMRHWAGAXIOBN-VNQPRFMTSA-N 2 2 276.424 3.267 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423301159 528956034 /nfs/dbraw/zinc/95/60/34/528956034.db2.gz SQBLCGYIKNMKCD-CABCVRRESA-N 2 2 284.831 3.135 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414128444 528988204 /nfs/dbraw/zinc/98/82/04/528988204.db2.gz RZZPJVBXRGZBDV-SFHVURJKSA-N 2 2 285.435 3.210 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423273072 529071189 /nfs/dbraw/zinc/07/11/89/529071189.db2.gz KIGDGMWOAXXZRO-GXTWGEPZSA-N 2 2 289.448 3.444 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000358927265 529121068 /nfs/dbraw/zinc/12/10/68/529121068.db2.gz GNHUJNIWFRACNO-INIZCTEOSA-N 2 2 282.378 3.347 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cn1 ZINC000423233536 529122488 /nfs/dbraw/zinc/12/24/88/529122488.db2.gz DQCCVYSSIPDTEB-RDJZCZTQSA-N 2 2 287.382 3.207 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC1(C)C ZINC000414131110 529155749 /nfs/dbraw/zinc/15/57/49/529155749.db2.gz XJVBUYXVQKCWCI-HZPDHXFCSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423322184 529173503 /nfs/dbraw/zinc/17/35/03/529173503.db2.gz NSPGOPUIYRXEMU-CHWSQXEVSA-N 2 2 284.350 3.066 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1OC ZINC000423259708 529201801 /nfs/dbraw/zinc/20/18/01/529201801.db2.gz FQJWCGCRXXTRMI-UKRRQHHQSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000449400870 529248040 /nfs/dbraw/zinc/24/80/40/529248040.db2.gz DNNGSMIQHOSLRH-WFASDCNBSA-N 2 2 293.436 3.085 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000518996319 534984288 /nfs/dbraw/zinc/98/42/88/534984288.db2.gz YJERHNKIELMBIT-OCCSQVGLSA-N 2 2 296.842 3.439 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000518996319 534984298 /nfs/dbraw/zinc/98/42/98/534984298.db2.gz YJERHNKIELMBIT-OCCSQVGLSA-N 2 2 296.842 3.439 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000479450480 535432276 /nfs/dbraw/zinc/43/22/76/535432276.db2.gz VOKQMJWXHVFRLQ-KRWDZBQOSA-N 2 2 292.492 3.166 20 0 CGADLP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000450855785 535565599 /nfs/dbraw/zinc/56/55/99/535565599.db2.gz GVKZSJODUQUXDA-GFCCVEGCSA-N 2 2 275.421 3.217 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC1 ZINC000453075961 535705081 /nfs/dbraw/zinc/70/50/81/535705081.db2.gz IZJALQGKYVGMSZ-INIZCTEOSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H]1CCC[C@@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000513067561 535821052 /nfs/dbraw/zinc/82/10/52/535821052.db2.gz FQFMNJUJCMCIBF-HZPDHXFCSA-N 2 2 298.434 3.377 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)c1ccccc1 ZINC000483707580 535949089 /nfs/dbraw/zinc/94/90/89/535949089.db2.gz AVVJONNWYVJRCW-XIRDDKMYSA-N 2 2 274.452 3.283 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)c1ccccc1 ZINC000483707580 535949094 /nfs/dbraw/zinc/94/90/94/535949094.db2.gz AVVJONNWYVJRCW-XIRDDKMYSA-N 2 2 274.452 3.283 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccoc2)cc1F ZINC000727469232 571750268 /nfs/dbraw/zinc/75/02/68/571750268.db2.gz UIQFMJXTVZLYCZ-UHFFFAOYSA-N 2 2 285.322 3.203 20 0 CGADLP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1F ZINC000342272466 571892313 /nfs/dbraw/zinc/89/23/13/571892313.db2.gz AHMLSKBRPCLYDY-HNNXBMFYSA-N 2 2 270.367 3.203 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000749123674 572989546 /nfs/dbraw/zinc/98/95/46/572989546.db2.gz JFFLFYBYZFPGEY-CQSZACIVSA-N 2 2 284.407 3.326 20 0 CGADLP CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045913 573077973 /nfs/dbraw/zinc/07/79/73/573077973.db2.gz XLPFBDJTYOJVIA-INIZCTEOSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045913 573077980 /nfs/dbraw/zinc/07/79/80/573077980.db2.gz XLPFBDJTYOJVIA-INIZCTEOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357608 618771442 /nfs/dbraw/zinc/77/14/42/618771442.db2.gz VACQDUAFMLXVNV-BREBYQMCSA-N 2 2 272.314 3.045 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357608 618771443 /nfs/dbraw/zinc/77/14/43/618771443.db2.gz VACQDUAFMLXVNV-BREBYQMCSA-N 2 2 272.314 3.045 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000924535482 618803263 /nfs/dbraw/zinc/80/32/63/618803263.db2.gz WMVWXMAXBWDMPB-AWEZNQCLSA-N 2 2 251.418 3.180 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926845098 618934115 /nfs/dbraw/zinc/93/41/15/618934115.db2.gz KNXSXDVADANPMK-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926845098 618934117 /nfs/dbraw/zinc/93/41/17/618934117.db2.gz KNXSXDVADANPMK-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000925519086 619011771 /nfs/dbraw/zinc/01/17/71/619011771.db2.gz RZQWIKPIALKPDM-XLNGHYISSA-N 2 2 288.435 3.012 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000925674989 619124481 /nfs/dbraw/zinc/12/44/81/619124481.db2.gz CDPYOSWRVAZNIS-RISCZKNCSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1 ZINC000925736125 619210291 /nfs/dbraw/zinc/21/02/91/619210291.db2.gz ZIGFNZNSYZLOBI-DGCLKSJQSA-N 2 2 270.367 3.346 20 0 CGADLP Cc1cc(N[C@H](c2ccccc2)[C@@H](C)[NH3+])c[nH+]c1C ZINC000925770607 619230923 /nfs/dbraw/zinc/23/09/23/619230923.db2.gz WZTSGDARYBUWNA-WBMJQRKESA-N 2 2 255.365 3.199 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000317318301 619247492 /nfs/dbraw/zinc/24/74/92/619247492.db2.gz YYDRJHPVQFXYTG-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893966171 619341110 /nfs/dbraw/zinc/34/11/10/619341110.db2.gz IXVFPSNLENGUSA-FIMWJMCYSA-N 2 2 285.366 3.442 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042615 619357195 /nfs/dbraw/zinc/35/71/95/619357195.db2.gz BXWAEIGLBNDDLY-OLZOCXBDSA-N 2 2 282.453 3.306 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042615 619357197 /nfs/dbraw/zinc/35/71/97/619357197.db2.gz BXWAEIGLBNDDLY-OLZOCXBDSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042615 619357198 /nfs/dbraw/zinc/35/71/98/619357198.db2.gz BXWAEIGLBNDDLY-OLZOCXBDSA-N 2 2 282.453 3.306 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(SC)o2)C[C@H]1C ZINC000894042615 619357200 /nfs/dbraw/zinc/35/72/00/619357200.db2.gz BXWAEIGLBNDDLY-OLZOCXBDSA-N 2 2 282.453 3.306 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000894449742 619538595 /nfs/dbraw/zinc/53/85/95/619538595.db2.gz PFZKMSQYNGYLEN-UHFFFAOYSA-N 2 2 274.330 3.147 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000894449742 619538603 /nfs/dbraw/zinc/53/86/03/619538603.db2.gz PFZKMSQYNGYLEN-UHFFFAOYSA-N 2 2 274.330 3.147 20 0 CGADLP C[C@@H](C1CCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111211 619734827 /nfs/dbraw/zinc/73/48/27/619734827.db2.gz BXUYSBPFPLLVCY-BPUTZDHNSA-N 2 2 273.424 3.347 20 0 CGADLP Cn1c(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc2ccccc21 ZINC000895672172 619869502 /nfs/dbraw/zinc/86/95/02/619869502.db2.gz QSJCOHLNODPCFO-UHFFFAOYSA-N 2 2 297.446 3.239 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000898031971 620469629 /nfs/dbraw/zinc/46/96/29/620469629.db2.gz RVPYMOHDVJUENH-GXTWGEPZSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000898031971 620469631 /nfs/dbraw/zinc/46/96/31/620469631.db2.gz RVPYMOHDVJUENH-GXTWGEPZSA-N 2 2 286.410 3.417 20 0 CGADLP CCO[C@@H](C[NH2+][C@H](C)c1coc2ccccc12)C[NH+](C)C ZINC000926957424 620554696 /nfs/dbraw/zinc/55/46/96/620554696.db2.gz BMWYMEYYJCUYFH-KGLIPLIRSA-N 2 2 290.407 3.050 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000924731284 620582311 /nfs/dbraw/zinc/58/23/11/620582311.db2.gz IUXURUBJAXQUER-CQSZACIVSA-N 2 2 282.391 3.495 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434277 621317290 /nfs/dbraw/zinc/31/72/90/621317290.db2.gz NCIBGRDOIPGXSY-CSMYWGQOSA-N 2 2 286.444 3.284 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000902742879 621422034 /nfs/dbraw/zinc/42/20/34/621422034.db2.gz ZYWKDJUGMQQCGU-IYOUNJFTSA-N 2 2 299.418 3.193 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902741550 621422456 /nfs/dbraw/zinc/42/24/56/621422456.db2.gz DCPIUKJJHUWVSP-MNOVXSKESA-N 2 2 298.312 3.036 20 0 CGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895178 621489579 /nfs/dbraw/zinc/48/95/79/621489579.db2.gz VVJINSLHZZZJGP-UWWQBHOKSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018864 621520891 /nfs/dbraw/zinc/52/08/91/621520891.db2.gz HJXUZBAQTKZSML-JYYAWHABSA-N 2 2 299.418 3.336 20 0 CGADLP CCC1([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903007050 621530682 /nfs/dbraw/zinc/53/06/82/621530682.db2.gz UPKBTAQTIIBJFV-CYBMUJFWSA-N 2 2 255.365 3.466 20 0 CGADLP c1ccc([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)nc1 ZINC000903163338 621608850 /nfs/dbraw/zinc/60/88/50/621608850.db2.gz DANDRUJMCSZRIR-LEOMRAHMSA-N 2 2 285.435 3.139 20 0 CGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C(F)F ZINC000903377332 621721288 /nfs/dbraw/zinc/72/12/88/621721288.db2.gz KVTBDUMLKGVGRH-TZMCWYRMSA-N 2 2 299.409 3.344 20 0 CGADLP CC(C)C1CC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903379432 621722771 /nfs/dbraw/zinc/72/27/71/621722771.db2.gz GTYGCPZOZICTPF-JCYILVPMSA-N 2 2 275.440 3.099 20 0 CGADLP CC1(C)CCC[C@@H](C[N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000903942588 621838904 /nfs/dbraw/zinc/83/89/04/621838904.db2.gz RJRACPXAXQFSFD-GFCCVEGCSA-N 2 2 293.480 3.176 20 0 CGADLP CC1(C)CCC[C@@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000903942588 621838908 /nfs/dbraw/zinc/83/89/08/621838908.db2.gz RJRACPXAXQFSFD-GFCCVEGCSA-N 2 2 293.480 3.176 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906586078 622249828 /nfs/dbraw/zinc/24/98/28/622249828.db2.gz COCGHLTWAJTXGE-IAGOWNOFSA-N 2 2 288.410 3.242 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906586078 622249831 /nfs/dbraw/zinc/24/98/31/622249831.db2.gz COCGHLTWAJTXGE-IAGOWNOFSA-N 2 2 288.410 3.242 20 0 CGADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043326752 622266806 /nfs/dbraw/zinc/26/68/06/622266806.db2.gz CKIYIQPHLJQCTK-CABCVRRESA-N 2 2 264.388 3.255 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531421 626161724 /nfs/dbraw/zinc/16/17/24/626161724.db2.gz SNGHPSICXHSWJS-KBPBESRZSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531421 626161728 /nfs/dbraw/zinc/16/17/28/626161728.db2.gz SNGHPSICXHSWJS-KBPBESRZSA-N 2 2 272.383 3.030 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000754129333 626559781 /nfs/dbraw/zinc/55/97/81/626559781.db2.gz OREXRNVOUQOHBX-HUUCEWRRSA-N 2 2 287.451 3.285 20 0 CGADLP CCC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764436516 627207356 /nfs/dbraw/zinc/20/73/56/627207356.db2.gz PBWBJQSTEDPSLU-HNNXBMFYSA-N 2 2 289.467 3.500 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCO2 ZINC000766271330 627309861 /nfs/dbraw/zinc/30/98/61/627309861.db2.gz DCPCWCPNABHCDB-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCO2 ZINC000766271330 627309864 /nfs/dbraw/zinc/30/98/64/627309864.db2.gz DCPCWCPNABHCDB-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766271948 627310202 /nfs/dbraw/zinc/31/02/02/627310202.db2.gz WMKVQHPGTUWFGR-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766271948 627310203 /nfs/dbraw/zinc/31/02/03/627310203.db2.gz WMKVQHPGTUWFGR-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766273515 627311167 /nfs/dbraw/zinc/31/11/67/627311167.db2.gz QBPHZNLZUPWNOJ-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766273515 627311170 /nfs/dbraw/zinc/31/11/70/627311170.db2.gz QBPHZNLZUPWNOJ-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000766275765 627311254 /nfs/dbraw/zinc/31/12/54/627311254.db2.gz ZMRVDWPVMZRJCH-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000766275765 627311260 /nfs/dbraw/zinc/31/12/60/627311260.db2.gz ZMRVDWPVMZRJCH-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329855 627321133 /nfs/dbraw/zinc/32/11/33/627321133.db2.gz GCYLPBBPHUIMMH-JKSUJKDBSA-N 2 2 274.452 3.499 20 0 CGADLP c1cn(C2CC[NH+](Cc3cncc4ccccc43)CC2)c[nH+]1 ZINC000769188950 627530578 /nfs/dbraw/zinc/53/05/78/627530578.db2.gz SUAABFNPBSRBHZ-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000773035237 627844818 /nfs/dbraw/zinc/84/48/18/627844818.db2.gz LAHKGVBDNQXICN-MAUKXSAKSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCC1 ZINC000773035237 627844823 /nfs/dbraw/zinc/84/48/23/627844823.db2.gz LAHKGVBDNQXICN-MAUKXSAKSA-N 2 2 287.451 3.072 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CCC2)CC1 ZINC000780727776 628510779 /nfs/dbraw/zinc/51/07/79/628510779.db2.gz GGSFEJFESOKDHP-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(C)c1OC(F)F ZINC000863483487 629587656 /nfs/dbraw/zinc/58/76/56/629587656.db2.gz BSAITFAQUAYOAS-OCCSQVGLSA-N 2 2 298.377 3.135 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000863545115 629603506 /nfs/dbraw/zinc/60/35/06/629603506.db2.gz HXGGFRIHOWXITG-JQFCIGGWSA-N 2 2 288.435 3.193 20 0 CGADLP c1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)co1 ZINC000809704072 630787419 /nfs/dbraw/zinc/78/74/19/630787419.db2.gz URLKLWGEFDBUFR-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)co1 ZINC000809704072 630787422 /nfs/dbraw/zinc/78/74/22/630787422.db2.gz URLKLWGEFDBUFR-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)co1 ZINC000809704072 630787425 /nfs/dbraw/zinc/78/74/25/630787425.db2.gz URLKLWGEFDBUFR-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)co1 ZINC000809704072 630787429 /nfs/dbraw/zinc/78/74/29/630787429.db2.gz URLKLWGEFDBUFR-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817897522 632231173 /nfs/dbraw/zinc/23/11/73/632231173.db2.gz RNGHFCHDUZMBCI-KBXCAEBGSA-N 2 2 286.394 3.182 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000817962778 632257704 /nfs/dbraw/zinc/25/77/04/632257704.db2.gz PICRLSSCELYUGO-INIZCTEOSA-N 2 2 276.424 3.052 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000817984120 632274225 /nfs/dbraw/zinc/27/42/25/632274225.db2.gz NPRXXAFAWJWJNL-GXTWGEPZSA-N 2 2 296.842 3.450 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000865747714 632876307 /nfs/dbraw/zinc/87/63/07/632876307.db2.gz VTEZHPIJCHCDQX-QGZVFWFLSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866230301 633036537 /nfs/dbraw/zinc/03/65/37/633036537.db2.gz ZAAHFZGLLQRWRW-BLLLJJGKSA-N 2 2 273.355 3.078 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866253056 633046599 /nfs/dbraw/zinc/04/65/99/633046599.db2.gz DPYDVPSCMDESRA-INIZCTEOSA-N 2 2 299.462 3.486 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1cncc2ccccc21 ZINC000866253056 633046606 /nfs/dbraw/zinc/04/66/06/633046606.db2.gz DPYDVPSCMDESRA-INIZCTEOSA-N 2 2 299.462 3.486 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccn1 ZINC000866282769 633064645 /nfs/dbraw/zinc/06/46/45/633064645.db2.gz QXAIOFDFMRSOLY-QGZVFWFLSA-N 2 2 284.407 3.266 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000866347845 633092074 /nfs/dbraw/zinc/09/20/74/633092074.db2.gz KSPQKGYLJOGRAA-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000866347845 633092077 /nfs/dbraw/zinc/09/20/77/633092077.db2.gz KSPQKGYLJOGRAA-QAPCUYQASA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583218 633204205 /nfs/dbraw/zinc/20/42/05/633204205.db2.gz IRLACKGPIKCIIE-XJKCOSOUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583218 633204209 /nfs/dbraw/zinc/20/42/09/633204209.db2.gz IRLACKGPIKCIIE-XJKCOSOUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583218 633204212 /nfs/dbraw/zinc/20/42/12/633204212.db2.gz IRLACKGPIKCIIE-XJKCOSOUSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583218 633204216 /nfs/dbraw/zinc/20/42/16/633204216.db2.gz IRLACKGPIKCIIE-XJKCOSOUSA-N 2 2 278.827 3.427 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)ccc2c1 ZINC000866722602 633236740 /nfs/dbraw/zinc/23/67/40/633236740.db2.gz AFEJROFQINJCOK-MOPGFXCFSA-N 2 2 280.415 3.209 20 0 CGADLP c1ccc2cc(CC[N@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)ccc2c1 ZINC000866722602 633236744 /nfs/dbraw/zinc/23/67/44/633236744.db2.gz AFEJROFQINJCOK-MOPGFXCFSA-N 2 2 280.415 3.209 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000872066412 633988781 /nfs/dbraw/zinc/98/87/81/633988781.db2.gz MUXZDMSKCSRMEI-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000872066412 633988787 /nfs/dbraw/zinc/98/87/87/633988787.db2.gz MUXZDMSKCSRMEI-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000872090259 634015799 /nfs/dbraw/zinc/01/57/99/634015799.db2.gz OSHRWTQIEWYCEG-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000872090259 634015805 /nfs/dbraw/zinc/01/58/05/634015805.db2.gz OSHRWTQIEWYCEG-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872107755 634031831 /nfs/dbraw/zinc/03/18/31/634031831.db2.gz SEQPUNBDHCAFPN-WMLDXEAASA-N 2 2 299.418 3.338 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000873217651 634287178 /nfs/dbraw/zinc/28/71/78/634287178.db2.gz NQKMXDDEXSDIER-VVLHAWIVSA-N 2 2 276.399 3.350 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230558 634292375 /nfs/dbraw/zinc/29/23/75/634292375.db2.gz TZMBUSKMZATDSO-IAGOWNOFSA-N 2 2 270.376 3.115 20 0 CGADLP CCSc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873232106 634294136 /nfs/dbraw/zinc/29/41/36/634294136.db2.gz VZHZUBOAOATEMT-CVEARBPZSA-N 2 2 276.449 3.173 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873237576 634297180 /nfs/dbraw/zinc/29/71/80/634297180.db2.gz RCQJNDYWYUJLDS-HOTGVXAUSA-N 2 2 275.440 3.291 20 0 CGADLP COc1c(C)c[nH+]c(CNc2cccc(C[NH+](C)C)c2)c1C ZINC000876822764 634907250 /nfs/dbraw/zinc/90/72/50/634907250.db2.gz KFIQOONMVSLKMF-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP COc1c(C)cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1C ZINC000841037382 635111433 /nfs/dbraw/zinc/11/14/33/635111433.db2.gz OXDRWFQVEAVBCJ-QGZVFWFLSA-N 2 2 284.403 3.102 20 0 CGADLP Cc1occc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877793769 635204647 /nfs/dbraw/zinc/20/46/47/635204647.db2.gz AIBNNOWIAUUKBO-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP Cc1ccncc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877793862 635204709 /nfs/dbraw/zinc/20/47/09/635204709.db2.gz CGAHUVVSMKYBMK-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP F[C@]1(c2ccccc2)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000879479819 635797492 /nfs/dbraw/zinc/79/74/92/635797492.db2.gz PMJFCZHMQOLMBD-QGZVFWFLSA-N 2 2 287.382 3.234 20 0 CGADLP F[C@]1(c2ccccc2)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000879479819 635797500 /nfs/dbraw/zinc/79/75/00/635797500.db2.gz PMJFCZHMQOLMBD-QGZVFWFLSA-N 2 2 287.382 3.234 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130139 635919669 /nfs/dbraw/zinc/91/96/69/635919669.db2.gz COFCOFUCKKUJTP-IAGOWNOFSA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130139 635919673 /nfs/dbraw/zinc/91/96/73/635919673.db2.gz COFCOFUCKKUJTP-IAGOWNOFSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000880130139 635919677 /nfs/dbraw/zinc/91/96/77/635919677.db2.gz COFCOFUCKKUJTP-IAGOWNOFSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000880130139 635919682 /nfs/dbraw/zinc/91/96/82/635919682.db2.gz COFCOFUCKKUJTP-IAGOWNOFSA-N 2 2 292.854 3.441 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135963 635920463 /nfs/dbraw/zinc/92/04/63/635920463.db2.gz CUQJNNOKTJGXBX-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135963 635920467 /nfs/dbraw/zinc/92/04/67/635920467.db2.gz CUQJNNOKTJGXBX-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCc1ccccc1 ZINC000880135963 635920473 /nfs/dbraw/zinc/92/04/73/635920473.db2.gz CUQJNNOKTJGXBX-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCCc1ccccc1 ZINC000880135963 635920478 /nfs/dbraw/zinc/92/04/78/635920478.db2.gz CUQJNNOKTJGXBX-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140321 635923046 /nfs/dbraw/zinc/92/30/46/635923046.db2.gz AXWJWZYQLIBQJX-HOTGVXAUSA-N 2 2 278.827 3.051 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140321 635923049 /nfs/dbraw/zinc/92/30/49/635923049.db2.gz AXWJWZYQLIBQJX-HOTGVXAUSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccc(Cl)cc1 ZINC000880140321 635923052 /nfs/dbraw/zinc/92/30/52/635923052.db2.gz AXWJWZYQLIBQJX-HOTGVXAUSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1ccc(Cl)cc1 ZINC000880140321 635923055 /nfs/dbraw/zinc/92/30/55/635923055.db2.gz AXWJWZYQLIBQJX-HOTGVXAUSA-N 2 2 278.827 3.051 20 0 CGADLP CSc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000880473828 636007049 /nfs/dbraw/zinc/00/70/49/636007049.db2.gz APZMCBYIUHPAGS-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP c1cn(C[C@H]([NH2+]CC2CCC2)c2ccccc2)c[nH+]1 ZINC000880568512 636022758 /nfs/dbraw/zinc/02/27/58/636022758.db2.gz AXHFNTUBWVUFKN-INIZCTEOSA-N 2 2 255.365 3.014 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+](C)C)c1sccc1Cl ZINC000883164430 636560888 /nfs/dbraw/zinc/56/08/88/636560888.db2.gz FHBKXFMLZWDDBO-NSHDSACASA-N 2 2 260.834 3.394 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000848532089 636592280 /nfs/dbraw/zinc/59/22/80/636592280.db2.gz YKCCMCBVDQDOEL-OAHLLOKOSA-N 2 2 271.408 3.432 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000848556758 636604492 /nfs/dbraw/zinc/60/44/92/636604492.db2.gz CXPNFIRDDVLTQK-UHFFFAOYSA-N 2 2 286.391 3.184 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848928287 636700034 /nfs/dbraw/zinc/70/00/34/636700034.db2.gz YAUHQMCQGRJXDK-ROUUACIJSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848928287 636700038 /nfs/dbraw/zinc/70/00/38/636700038.db2.gz YAUHQMCQGRJXDK-ROUUACIJSA-N 2 2 272.436 3.144 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131632162 636703276 /nfs/dbraw/zinc/70/32/76/636703276.db2.gz PAXAESUZZTZXNO-HIFRSBDPSA-N 2 2 287.432 3.419 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883387533 636728289 /nfs/dbraw/zinc/72/82/89/636728289.db2.gz ZDQDNXNPSLVMID-XJKSGUPXSA-N 2 2 255.365 3.013 20 0 CGADLP c1cn(C[C@H]([NH2+]C2CCCC2)c2ccccc2)c[nH+]1 ZINC000883386728 636728984 /nfs/dbraw/zinc/72/89/84/636728984.db2.gz MAVQQQLDQHGUQA-INIZCTEOSA-N 2 2 255.365 3.157 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387725 636729185 /nfs/dbraw/zinc/72/91/85/636729185.db2.gz CVYBTABEEQXKPM-BMFZPTHFSA-N 2 2 255.365 3.013 20 0 CGADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883386528 636729590 /nfs/dbraw/zinc/72/95/90/636729590.db2.gz HUDCFYXBQJWBDR-IAGOWNOFSA-N 2 2 269.392 3.403 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000216375017 637149413 /nfs/dbraw/zinc/14/94/13/637149413.db2.gz FTWDVZCLOIYOPL-BZUAXINKSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC=CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502431 637386208 /nfs/dbraw/zinc/38/62/08/637386208.db2.gz ZBGQQKOLFBWNMZ-YJBOKZPZSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC=CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502431 637386214 /nfs/dbraw/zinc/38/62/14/637386214.db2.gz ZBGQQKOLFBWNMZ-YJBOKZPZSA-N 2 2 270.420 3.205 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749107 637706804 /nfs/dbraw/zinc/70/68/04/637706804.db2.gz JFBKNRUFMKVMEF-UKRRQHHQSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749107 637706809 /nfs/dbraw/zinc/70/68/09/637706809.db2.gz JFBKNRUFMKVMEF-UKRRQHHQSA-N 2 2 293.842 3.007 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000854221894 638026292 /nfs/dbraw/zinc/02/62/92/638026292.db2.gz BOCKUEGWMUUTLS-XSLAGTTESA-N 2 2 288.410 3.049 20 0 CGADLP Cc1cc(C)cc([C@H]([NH2+]CCC[NH+](C)C)c2cccnc2)c1 ZINC000924537903 638355563 /nfs/dbraw/zinc/35/55/63/638355563.db2.gz CRNKUJJIQSZCTP-LJQANCHMSA-N 2 2 297.446 3.329 20 0 CGADLP CC(C)(C)[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000924644911 638383016 /nfs/dbraw/zinc/38/30/16/638383016.db2.gz BXJLMZUJORDTEN-MRXNPFEDSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC[N@@H+]1C ZINC000925140053 638459494 /nfs/dbraw/zinc/45/94/94/638459494.db2.gz HUIQQUSPNNACKY-JMSVASOKSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC[N@H+]1C ZINC000925140053 638459499 /nfs/dbraw/zinc/45/94/99/638459499.db2.gz HUIQQUSPNNACKY-JMSVASOKSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn(C)cn1 ZINC000925185487 638469572 /nfs/dbraw/zinc/46/95/72/638469572.db2.gz ZSKOBUYVIFHDDS-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925528582 638520436 /nfs/dbraw/zinc/52/04/36/638520436.db2.gz FUSDXVFXOHPLBV-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858104388 638629229 /nfs/dbraw/zinc/62/92/29/638629229.db2.gz JFSKWQBHCVEIIL-TUUVXOQKSA-N 2 2 275.440 3.322 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccnc1Cl ZINC000858490230 638740473 /nfs/dbraw/zinc/74/04/73/638740473.db2.gz DCLPPOUKEJIXKE-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccnc1Cl ZINC000858490230 638740476 /nfs/dbraw/zinc/74/04/76/638740476.db2.gz DCLPPOUKEJIXKE-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CCc1nc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)co1 ZINC000926537134 638782692 /nfs/dbraw/zinc/78/26/92/638782692.db2.gz RUKBYSQUTTYEBY-CYBMUJFWSA-N 2 2 287.407 3.149 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@]1(F)Cl ZINC000926653015 638794993 /nfs/dbraw/zinc/79/49/93/638794993.db2.gz ZWFXWIAUKNELSM-KBXIAJHMSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@]1(F)Cl ZINC000926653015 638794997 /nfs/dbraw/zinc/79/49/97/638794997.db2.gz ZWFXWIAUKNELSM-KBXIAJHMSA-N 2 2 288.838 3.298 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC2(CCCC2)O1 ZINC000926674705 638797492 /nfs/dbraw/zinc/79/74/92/638797492.db2.gz PBEAGYNTSBPLMN-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCC2(CCCC2)O1 ZINC000926674705 638797493 /nfs/dbraw/zinc/79/74/93/638797493.db2.gz PBEAGYNTSBPLMN-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927022305 638833004 /nfs/dbraw/zinc/83/30/04/638833004.db2.gz QDYZHMFXZHZTTE-YJBOKZPZSA-N 2 2 299.418 3.482 20 0 CGADLP c1ccc(N2CCC([NH2+]CC3CCC=CCC3)CC2)[nH+]c1 ZINC000927123542 638845728 /nfs/dbraw/zinc/84/57/28/638845728.db2.gz UKMJEMAQQSZWMA-UHFFFAOYSA-N 2 2 285.435 3.386 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929722359 638945481 /nfs/dbraw/zinc/94/54/81/638945481.db2.gz MIHVCBWKXQCXHW-HIFRSBDPSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000929722359 638945482 /nfs/dbraw/zinc/94/54/82/638945482.db2.gz MIHVCBWKXQCXHW-HIFRSBDPSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000929722359 638945483 /nfs/dbraw/zinc/94/54/83/638945483.db2.gz MIHVCBWKXQCXHW-HIFRSBDPSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000929722359 638945484 /nfs/dbraw/zinc/94/54/84/638945484.db2.gz MIHVCBWKXQCXHW-HIFRSBDPSA-N 2 2 279.403 3.088 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350218 639138316 /nfs/dbraw/zinc/13/83/16/639138316.db2.gz FPVDZPMMBWVEBT-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771449 639895847 /nfs/dbraw/zinc/89/58/47/639895847.db2.gz HTUIXHPNNDHWGS-MRXNPFEDSA-N 2 2 290.451 3.035 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCC=CO1 ZINC000194536152 640538270 /nfs/dbraw/zinc/53/82/70/640538270.db2.gz PDZCHHBYTILCSX-QGZVFWFLSA-N 2 2 288.435 3.179 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCC=CO1 ZINC000194536152 640538282 /nfs/dbraw/zinc/53/82/82/640538282.db2.gz PDZCHHBYTILCSX-QGZVFWFLSA-N 2 2 288.435 3.179 20 0 CGADLP CC[N@@H+](Cc1ccoc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564718 640776931 /nfs/dbraw/zinc/77/69/31/640776931.db2.gz JHBHNKKFJIOBHT-UHFFFAOYSA-N 2 2 299.418 3.413 20 0 CGADLP CC[N@H+](Cc1ccoc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564718 640776935 /nfs/dbraw/zinc/77/69/35/640776935.db2.gz JHBHNKKFJIOBHT-UHFFFAOYSA-N 2 2 299.418 3.413 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250703336 640815752 /nfs/dbraw/zinc/81/57/52/640815752.db2.gz WDYDZTJSJHUYBI-SOUVJXGZSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cccc2c(C)cc(N(C)C3CC[NH2+]CC3)[nH+]c12 ZINC001156171962 805662053 /nfs/dbraw/zinc/66/20/53/805662053.db2.gz JHVQJSBGYQBDNH-UHFFFAOYSA-N 2 2 269.392 3.040 20 0 CGADLP CC/C=C\CCc1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250568242 805698706 /nfs/dbraw/zinc/69/87/06/805698706.db2.gz VSNVTBPOQKVRBO-PLNGDYQASA-N 2 2 298.434 3.214 20 0 CGADLP Cc1cc2ccccc2c(NCc2ccc(N)[nH+]c2C)[nH+]1 ZINC001156980466 805761986 /nfs/dbraw/zinc/76/19/86/805761986.db2.gz HTLPMEZNXWGJFJ-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP Cc1ccc2c(c1)nc(Cl)cc2NC(=[NH2+])SCC[NH3+] ZINC001157129191 805778668 /nfs/dbraw/zinc/77/86/68/805778668.db2.gz KRIQFLXIMIMPAB-UHFFFAOYSA-N 2 2 294.811 3.235 20 0 CGADLP CC(C)Oc1cc[nH+]c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001158144918 805922105 /nfs/dbraw/zinc/92/21/05/805922105.db2.gz LMXUZUUMYXOYBO-UHFFFAOYSA-N 2 2 296.374 3.171 20 0 CGADLP CC1(C)C[C@H](Nc2ccc(Cl)c(N)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158269804 805932867 /nfs/dbraw/zinc/93/28/67/805932867.db2.gz BXWZARFZDORREX-ZUZCIYMTSA-N 2 2 296.846 3.273 20 0 CGADLP COc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158270836 805933261 /nfs/dbraw/zinc/93/32/61/805933261.db2.gz VOONZDLZFSJQTO-LRDDRELGSA-N 2 2 277.412 3.046 20 0 CGADLP Cc1c[nH+]c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1C ZINC001158628782 805979084 /nfs/dbraw/zinc/97/90/84/805979084.db2.gz OCTMBBYRMTZIHF-CQSZACIVSA-N 2 2 295.377 3.008 20 0 CGADLP Cc1cn2c(cccc2Nc2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001159108959 806042456 /nfs/dbraw/zinc/04/24/56/806042456.db2.gz QACNYSRFTCVJMB-UHFFFAOYSA-N 2 2 278.359 3.032 20 0 CGADLP CC(C)c1cccc(Nc2cccc(N3CC[NH2+]CC3)c2)[nH+]1 ZINC001159200948 806058418 /nfs/dbraw/zinc/05/84/18/806058418.db2.gz XJUJXTRUAWFQQX-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1C ZINC001159924665 806200697 /nfs/dbraw/zinc/20/06/97/806200697.db2.gz VXIKAKACXAXOKU-MRXNPFEDSA-N 2 2 283.375 3.183 20 0 CGADLP CC[NH2+]Cc1cccc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001159956032 806204853 /nfs/dbraw/zinc/20/48/53/806204853.db2.gz QDFPZFUBTLNRNI-UHFFFAOYSA-N 2 2 270.380 3.001 20 0 CGADLP CNc1ccc(Nc2ccccc2C2=CC[NH2+]CC2)c[nH+]1 ZINC001160023670 806215353 /nfs/dbraw/zinc/21/53/53/806215353.db2.gz VANDSEIZQMWRAU-UHFFFAOYSA-N 2 2 280.375 3.244 20 0 CGADLP FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC001160735775 806299565 /nfs/dbraw/zinc/29/95/65/806299565.db2.gz JAZWFKWDNSPLJJ-OLZOCXBDSA-N 2 2 295.308 3.187 20 0 CGADLP Cc1c(F)cc[nH+]c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161233327 806360382 /nfs/dbraw/zinc/36/03/82/806360382.db2.gz OTZWULVUCLTLKL-UHFFFAOYSA-N 2 2 291.414 3.453 20 0 CGADLP Cc1cc(C)[nH+]c(NCc2c[nH+]cn2CC2CCC2)c1 ZINC001161529357 806386336 /nfs/dbraw/zinc/38/63/36/806386336.db2.gz IMMLWCYPJWYBDB-UHFFFAOYSA-N 2 2 270.380 3.307 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001254481423 806413194 /nfs/dbraw/zinc/41/31/94/806413194.db2.gz BLRBMXKTLAWPDU-SFHVURJKSA-N 2 2 274.452 3.473 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501979 806422643 /nfs/dbraw/zinc/42/26/43/806422643.db2.gz ASVINQGDQDUGKZ-HKUYNNGSSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501979 806422648 /nfs/dbraw/zinc/42/26/48/806422648.db2.gz ASVINQGDQDUGKZ-HKUYNNGSSA-N 2 2 295.430 3.245 20 0 CGADLP CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254847910 806497725 /nfs/dbraw/zinc/49/77/25/806497725.db2.gz KRVMBJWJWPVGQT-CYBMUJFWSA-N 2 2 272.383 3.028 20 0 CGADLP Clc1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254853498 806500898 /nfs/dbraw/zinc/50/08/98/806500898.db2.gz WUUIEQGHMHEZOS-LBPRGKRZSA-N 2 2 284.856 3.018 20 0 CGADLP c1ccc(C2=CC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254863288 806502499 /nfs/dbraw/zinc/50/24/99/806502499.db2.gz BNAZYFFOGSVGBD-IBGZPJMESA-N 2 2 282.431 3.260 20 0 CGADLP c1ccc(C2=CC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254863288 806502504 /nfs/dbraw/zinc/50/25/04/806502504.db2.gz BNAZYFFOGSVGBD-IBGZPJMESA-N 2 2 282.431 3.260 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1 ZINC001162402796 806577863 /nfs/dbraw/zinc/57/78/63/806577863.db2.gz WUZXZMCWGHBCAQ-IUCAKERBSA-N 2 2 298.312 3.264 20 0 CGADLP Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)cc(C2CCCCC2)[nH+]1 ZINC001162797355 806667155 /nfs/dbraw/zinc/66/71/55/806667155.db2.gz MDWYYTRNVCQUNK-OWCLPIDISA-N 2 2 298.434 3.019 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037089744 798859147 /nfs/dbraw/zinc/85/91/47/798859147.db2.gz BQBCWKNZVDBOME-ZDUSSCGKSA-N 2 2 294.414 3.358 20 0 CGADLP CCCC(C[NH3+])(CCC)Nc1cc(C)[nH+]c(SC)n1 ZINC001163036198 806695267 /nfs/dbraw/zinc/69/52/67/806695267.db2.gz WIWWTNCVHJVVDN-UHFFFAOYSA-N 2 2 282.457 3.217 20 0 CGADLP CCC[C@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037155994 798860147 /nfs/dbraw/zinc/86/01/47/798860147.db2.gz ZPEXDIKWCRHIJT-KBPBESRZSA-N 2 2 251.418 3.324 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1 ZINC000037156676 798862524 /nfs/dbraw/zinc/86/25/24/798862524.db2.gz ZXZORYUXGVPASA-CZUORRHYSA-N 2 2 287.407 3.354 20 0 CGADLP CC(C)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000037985066 798881827 /nfs/dbraw/zinc/88/18/27/798881827.db2.gz ZVUCCXVKHHLYNV-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740828 799242102 /nfs/dbraw/zinc/24/21/02/799242102.db2.gz HXGKYTFPVJZJFZ-HLLBOEOZSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740828 799242109 /nfs/dbraw/zinc/24/21/09/799242109.db2.gz HXGKYTFPVJZJFZ-HLLBOEOZSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1csc2ccccc12 ZINC000381359034 799377794 /nfs/dbraw/zinc/37/77/94/799377794.db2.gz JVVWOEILOXAZCM-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC000381359034 799377801 /nfs/dbraw/zinc/37/78/01/799377801.db2.gz JVVWOEILOXAZCM-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000381741083 799386133 /nfs/dbraw/zinc/38/61/33/799386133.db2.gz MAADLTOFCNBYSF-WMLDXEAASA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000381741083 799386140 /nfs/dbraw/zinc/38/61/40/799386140.db2.gz MAADLTOFCNBYSF-WMLDXEAASA-N 2 2 260.425 3.197 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001255780267 806748116 /nfs/dbraw/zinc/74/81/16/806748116.db2.gz JMCFFUSPONYLBR-RDJZCZTQSA-N 2 2 272.436 3.142 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001255780267 806748119 /nfs/dbraw/zinc/74/81/19/806748119.db2.gz JMCFFUSPONYLBR-RDJZCZTQSA-N 2 2 272.436 3.142 20 0 CGADLP Cc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001255783823 806749077 /nfs/dbraw/zinc/74/90/77/806749077.db2.gz JBSQXIAJBODTNY-JXFKEZNVSA-N 2 2 294.442 3.312 20 0 CGADLP Cc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001255783823 806749080 /nfs/dbraw/zinc/74/90/80/806749080.db2.gz JBSQXIAJBODTNY-JXFKEZNVSA-N 2 2 294.442 3.312 20 0 CGADLP Cc1ccnc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000392794300 799483690 /nfs/dbraw/zinc/48/36/90/799483690.db2.gz HGTSAMCRJJTUIO-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001163367371 806751226 /nfs/dbraw/zinc/75/12/26/806751226.db2.gz YUHOTJICAMDNQT-ZFWWWQNUSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC001163367371 806751232 /nfs/dbraw/zinc/75/12/32/806751232.db2.gz YUHOTJICAMDNQT-ZFWWWQNUSA-N 2 2 290.455 3.439 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000394259077 799496020 /nfs/dbraw/zinc/49/60/20/799496020.db2.gz KKORIMTZVRMLQI-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000394259077 799496023 /nfs/dbraw/zinc/49/60/23/799496023.db2.gz KKORIMTZVRMLQI-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccoc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887610 799523478 /nfs/dbraw/zinc/52/34/78/799523478.db2.gz JXJZOGZGLJLGFV-GOSISDBHSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccoc2)CCC[N@H+]1Cc1ccccc1 ZINC000397887610 799523482 /nfs/dbraw/zinc/52/34/82/799523482.db2.gz JXJZOGZGLJLGFV-GOSISDBHSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000700542701 799872607 /nfs/dbraw/zinc/87/26/07/799872607.db2.gz YECYOUYTVIFKCE-UKRRQHHQSA-N 2 2 253.349 3.242 20 0 CGADLP Cc1csc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000701910344 799898263 /nfs/dbraw/zinc/89/82/63/799898263.db2.gz LSRFZVBUSNTQHH-CHWSQXEVSA-N 2 2 292.452 3.414 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC(C)C)ccn1 ZINC001255953467 806797290 /nfs/dbraw/zinc/79/72/90/806797290.db2.gz KLMHWUGLFZAZPA-OAHLLOKOSA-N 2 2 293.455 3.079 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](CC)Cc1ccccn1 ZINC001255964394 806801320 /nfs/dbraw/zinc/80/13/20/806801320.db2.gz RUUWGWIJHXRYAX-HNNXBMFYSA-N 2 2 263.429 3.024 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](CC)Cc1ccccn1 ZINC001255964394 806801329 /nfs/dbraw/zinc/80/13/29/806801329.db2.gz RUUWGWIJHXRYAX-HNNXBMFYSA-N 2 2 263.429 3.024 20 0 CGADLP CCC[C@@H](CC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716251450 800166103 /nfs/dbraw/zinc/16/61/03/800166103.db2.gz IHTMIBALHHLKLT-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC[N@H+](Cc1cccs1)C1CC[NH+](C2CC2)CC1 ZINC001256080924 806816515 /nfs/dbraw/zinc/81/65/15/806816515.db2.gz IDDINGQOAIARQW-UHFFFAOYSA-N 2 2 264.438 3.197 20 0 CGADLP CC[N@@H+](Cc1cccs1)C1CC[NH+](C2CC2)CC1 ZINC001256080924 806816519 /nfs/dbraw/zinc/81/65/19/806816519.db2.gz IDDINGQOAIARQW-UHFFFAOYSA-N 2 2 264.438 3.197 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC[C@@H]2CF)CC[N@@H+]1Cc1ccccc1 ZINC001256557224 806914518 /nfs/dbraw/zinc/91/45/18/806914518.db2.gz KSAJVFKBGNCCOI-CGTJXYLNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC[C@@H]2CF)CC[N@H+]1Cc1ccccc1 ZINC001256557224 806914520 /nfs/dbraw/zinc/91/45/20/806914520.db2.gz KSAJVFKBGNCCOI-CGTJXYLNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557224 806914524 /nfs/dbraw/zinc/91/45/24/806914524.db2.gz KSAJVFKBGNCCOI-CGTJXYLNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557224 806914528 /nfs/dbraw/zinc/91/45/28/806914528.db2.gz KSAJVFKBGNCCOI-CGTJXYLNSA-N 2 2 290.426 3.473 20 0 CGADLP COc1cc(F)ccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256564910 806916442 /nfs/dbraw/zinc/91/64/42/806916442.db2.gz XKXMBDUFNKIKAM-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP c1cc(C[NH+]2CCC([NH+]3CCC4(CCC4)CC3)CC2)ccn1 ZINC001256589370 806922053 /nfs/dbraw/zinc/92/20/53/806922053.db2.gz WYAJXKGAUGDFGV-UHFFFAOYSA-N 2 2 299.462 3.312 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621589 806928600 /nfs/dbraw/zinc/92/86/00/806928600.db2.gz XJLYGLCHNGFQOG-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621589 806928602 /nfs/dbraw/zinc/92/86/02/806928602.db2.gz XJLYGLCHNGFQOG-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256784426 806976924 /nfs/dbraw/zinc/97/69/24/806976924.db2.gz CUZYAPIYABPDQQ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256784426 806976926 /nfs/dbraw/zinc/97/69/26/806976926.db2.gz CUZYAPIYABPDQQ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@H](C)[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116518009 802369905 /nfs/dbraw/zinc/36/99/05/802369905.db2.gz ZSYCCSOAFVARGO-RYUDHWBXSA-N 2 2 286.379 3.196 20 0 CGADLP Cc1cc([NH2+][C@@H](C)C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001116764133 802408046 /nfs/dbraw/zinc/40/80/46/802408046.db2.gz AJBZFZXPFWZSNH-HNNXBMFYSA-N 2 2 275.440 3.203 20 0 CGADLP CC[C@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001117750507 802487099 /nfs/dbraw/zinc/48/70/99/802487099.db2.gz HGDFJHSYNNKPSS-KBPBESRZSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1CCSCc1c(C)cc(C)[nH+]c1C ZINC001118983799 802623930 /nfs/dbraw/zinc/62/39/30/802623930.db2.gz PACPEDUJKOZSIS-UHFFFAOYSA-N 2 2 275.421 3.445 20 0 CGADLP CC[N@@H+]1CCc2cc(-c3cc[nH+]c(NC)c3)ccc2C1 ZINC001244974488 803599680 /nfs/dbraw/zinc/59/96/80/803599680.db2.gz YLGADHQBCIGFJU-UHFFFAOYSA-N 2 2 267.376 3.168 20 0 CGADLP CC[N@H+]1CCc2cc(-c3cc[nH+]c(NC)c3)ccc2C1 ZINC001244974488 803599682 /nfs/dbraw/zinc/59/96/82/803599682.db2.gz YLGADHQBCIGFJU-UHFFFAOYSA-N 2 2 267.376 3.168 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136856225 803655259 /nfs/dbraw/zinc/65/52/59/803655259.db2.gz DRKHHMXNESOGAA-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136856225 803655261 /nfs/dbraw/zinc/65/52/61/803655261.db2.gz DRKHHMXNESOGAA-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1OC(C)C ZINC001137140843 803686631 /nfs/dbraw/zinc/68/66/31/803686631.db2.gz SPABQHUWFANUNH-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1OC(C)C ZINC001137140843 803686637 /nfs/dbraw/zinc/68/66/37/803686637.db2.gz SPABQHUWFANUNH-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2cc(C)ccc2n1 ZINC001137219098 803700392 /nfs/dbraw/zinc/70/03/92/803700392.db2.gz ZDBFXLCASOUQSH-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2cc(C)ccc2n1 ZINC001137219098 803700394 /nfs/dbraw/zinc/70/03/94/803700394.db2.gz ZDBFXLCASOUQSH-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137294027 803711381 /nfs/dbraw/zinc/71/13/81/803711381.db2.gz NEGDVGXLBMGIPU-BETUJISGSA-N 2 2 298.883 3.484 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137294027 803711385 /nfs/dbraw/zinc/71/13/85/803711385.db2.gz NEGDVGXLBMGIPU-BETUJISGSA-N 2 2 298.883 3.484 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137294027 803711389 /nfs/dbraw/zinc/71/13/89/803711389.db2.gz NEGDVGXLBMGIPU-BETUJISGSA-N 2 2 298.883 3.484 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3scc(C)c3Cl)C[C@@H]2C1 ZINC001137294027 803711393 /nfs/dbraw/zinc/71/13/93/803711393.db2.gz NEGDVGXLBMGIPU-BETUJISGSA-N 2 2 298.883 3.484 20 0 CGADLP C[N@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137680149 803757578 /nfs/dbraw/zinc/75/75/78/803757578.db2.gz ORRHGVWEBUXOIH-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC001137680149 803757581 /nfs/dbraw/zinc/75/75/81/803757581.db2.gz ORRHGVWEBUXOIH-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP CC[N@H+](Cc1ccc(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001138474348 803946101 /nfs/dbraw/zinc/94/61/01/803946101.db2.gz JZUUHPZHUJTDBZ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001138474348 803946106 /nfs/dbraw/zinc/94/61/06/803946106.db2.gz JZUUHPZHUJTDBZ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549439 803965440 /nfs/dbraw/zinc/96/54/40/803965440.db2.gz WSLDJIXCPCOIRN-GOSISDBHSA-N 2 2 297.402 3.124 20 0 CGADLP CC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549439 803965443 /nfs/dbraw/zinc/96/54/43/803965443.db2.gz WSLDJIXCPCOIRN-GOSISDBHSA-N 2 2 297.402 3.124 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2occc2c1 ZINC001138825626 804051203 /nfs/dbraw/zinc/05/12/03/804051203.db2.gz DGCCNWXJTVVXEB-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2occc2c1 ZINC001138825626 804051214 /nfs/dbraw/zinc/05/12/14/804051214.db2.gz DGCCNWXJTVVXEB-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246112715 804145011 /nfs/dbraw/zinc/14/50/11/804145011.db2.gz MGIUHWZQRONKAM-VNHYZAJKSA-N 2 2 296.455 3.284 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c21 ZINC001139198320 804159712 /nfs/dbraw/zinc/15/97/12/804159712.db2.gz CNWAGYNDFVZKPX-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c21 ZINC001139198320 804159715 /nfs/dbraw/zinc/15/97/15/804159715.db2.gz CNWAGYNDFVZKPX-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c21 ZINC001139198320 804159719 /nfs/dbraw/zinc/15/97/19/804159719.db2.gz CNWAGYNDFVZKPX-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c21 ZINC001139198320 804159723 /nfs/dbraw/zinc/15/97/23/804159723.db2.gz CNWAGYNDFVZKPX-YOEHRIQHSA-N 2 2 283.419 3.002 20 0 CGADLP C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139357159 804181310 /nfs/dbraw/zinc/18/13/10/804181310.db2.gz ZOPASAVHXZVOBV-BBRMVZONSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139357159 804181314 /nfs/dbraw/zinc/18/13/14/804181314.db2.gz ZOPASAVHXZVOBV-BBRMVZONSA-N 2 2 273.355 3.052 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246167009 804182928 /nfs/dbraw/zinc/18/29/28/804182928.db2.gz ANKUCOYPUAKMDF-FQEVSTJZSA-N 2 2 294.442 3.232 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]CC[NH2+]Cc1ccccc1)CC2 ZINC001246167010 804183096 /nfs/dbraw/zinc/18/30/96/804183096.db2.gz ANKUCOYPUAKMDF-HXUWFJFHSA-N 2 2 294.442 3.232 20 0 CGADLP Fc1ccc(-c2ccccc2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246173416 804187207 /nfs/dbraw/zinc/18/72/07/804187207.db2.gz GQSNOHIIQVLRAT-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C[C@H]1C ZINC001246172696 804188279 /nfs/dbraw/zinc/18/82/79/804188279.db2.gz WKMOKTHJEUKLDS-BFYDXBDKSA-N 2 2 260.425 3.191 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC)CC[NH2+]1 ZINC001246188301 804198758 /nfs/dbraw/zinc/19/87/58/804198758.db2.gz SCVPGISTSCUOPG-UONOGXRCSA-N 2 2 294.414 3.235 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H]1C ZINC001246189896 804200002 /nfs/dbraw/zinc/20/00/02/804200002.db2.gz KNVVINLGPJNYCD-MHDGFBEUSA-N 2 2 292.389 3.331 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246218286 804213862 /nfs/dbraw/zinc/21/38/62/804213862.db2.gz SASCRHBIVFQOSG-GVDBMIGSSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1C(F)(F)F ZINC001246237023 804230062 /nfs/dbraw/zinc/23/00/62/804230062.db2.gz WMLUUWNFZNQRIE-AAEUAGOBSA-N 2 2 286.341 3.244 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246279916 804255184 /nfs/dbraw/zinc/25/51/84/804255184.db2.gz MXUCEAJXVFINKL-HZPDHXFCSA-N 2 2 264.388 3.255 20 0 CGADLP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246294427 804263929 /nfs/dbraw/zinc/26/39/29/804263929.db2.gz VCUYUYBSZIFBBO-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246295950 804264317 /nfs/dbraw/zinc/26/43/17/804264317.db2.gz ZWOCBHACNQWNEI-KBRIMQKVSA-N 2 2 258.409 3.258 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246302257 804267714 /nfs/dbraw/zinc/26/77/14/804267714.db2.gz XJHHLJJNQONKOT-LSDHHAIUSA-N 3 2 257.466 3.129 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801952 804284883 /nfs/dbraw/zinc/28/48/83/804284883.db2.gz HMSHKJVOHIQBDY-OKILXGFUSA-N 2 2 280.362 3.008 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801952 804284887 /nfs/dbraw/zinc/28/48/87/804284887.db2.gz HMSHKJVOHIQBDY-OKILXGFUSA-N 2 2 280.362 3.008 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801952 804284890 /nfs/dbraw/zinc/28/48/90/804284890.db2.gz HMSHKJVOHIQBDY-OKILXGFUSA-N 2 2 280.362 3.008 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3C(F)F)C[C@@H]2C1 ZINC001139801952 804284894 /nfs/dbraw/zinc/28/48/94/804284894.db2.gz HMSHKJVOHIQBDY-OKILXGFUSA-N 2 2 280.362 3.008 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335765 804291231 /nfs/dbraw/zinc/29/12/31/804291231.db2.gz ICRWEIRKOOAXKD-IAGOWNOFSA-N 2 2 292.492 3.083 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246348820 804298913 /nfs/dbraw/zinc/29/89/13/804298913.db2.gz JCJSXNOXNBFROL-AVGNSLFASA-N 2 2 282.378 3.454 20 0 CGADLP c1ccc2c(c1)cncc2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001139892992 804318323 /nfs/dbraw/zinc/31/83/23/804318323.db2.gz DBWRZBJNSXMIKR-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)ccc1C ZINC001246469594 804347884 /nfs/dbraw/zinc/34/78/84/804347884.db2.gz DIVJEUXJRJYAAU-HLLBOEOZSA-N 2 2 260.425 3.485 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246508090 804365449 /nfs/dbraw/zinc/36/54/49/804365449.db2.gz CWSUBWVMLIRTCP-HKUYNNGSSA-N 2 2 298.430 3.306 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)CCC=C(C)C)c1 ZINC001246509904 804367613 /nfs/dbraw/zinc/36/76/13/804367613.db2.gz KKZPBXQMKVYQCW-PBHICJAKSA-N 2 2 276.424 3.420 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[NH2+]1 ZINC001246523539 804377687 /nfs/dbraw/zinc/37/76/87/804377687.db2.gz NKNNRNSZOURRTI-ZBFHGGJFSA-N 2 2 276.399 3.269 20 0 CGADLP CC[N@H+](C1CC1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246524478 804378238 /nfs/dbraw/zinc/37/82/38/804378238.db2.gz RPYOLKPKHKKTFY-WBVHZDCISA-N 2 2 276.399 3.412 20 0 CGADLP CC[N@@H+](C1CC1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246524478 804378246 /nfs/dbraw/zinc/37/82/46/804378246.db2.gz RPYOLKPKHKKTFY-WBVHZDCISA-N 2 2 276.399 3.412 20 0 CGADLP CCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246528462 804381809 /nfs/dbraw/zinc/38/18/09/804381809.db2.gz XKADYUCEAIYFMV-JKSUJKDBSA-N 2 2 292.423 3.031 20 0 CGADLP CCCCCC[C@H](CCCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246545783 804392220 /nfs/dbraw/zinc/39/22/20/804392220.db2.gz DFSPBNZBKQTYHM-DLBZAZTESA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC[C@H](CCCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246545783 804392229 /nfs/dbraw/zinc/39/22/29/804392229.db2.gz DFSPBNZBKQTYHM-DLBZAZTESA-N 2 2 284.488 3.436 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001246544387 804394174 /nfs/dbraw/zinc/39/41/74/804394174.db2.gz VJTLXFWWVURODV-JSGCOSHPSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC001246544387 804394182 /nfs/dbraw/zinc/39/41/82/804394182.db2.gz VJTLXFWWVURODV-JSGCOSHPSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001246544388 804394532 /nfs/dbraw/zinc/39/45/32/804394532.db2.gz VJTLXFWWVURODV-OCCSQVGLSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC001246544388 804394539 /nfs/dbraw/zinc/39/45/39/804394539.db2.gz VJTLXFWWVURODV-OCCSQVGLSA-N 2 2 282.428 3.120 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246559374 804408635 /nfs/dbraw/zinc/40/86/35/804408635.db2.gz AJRRUOXXIJFACM-BRWVUGGUSA-N 2 2 278.415 3.159 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246559374 804408638 /nfs/dbraw/zinc/40/86/38/804408638.db2.gz AJRRUOXXIJFACM-BRWVUGGUSA-N 2 2 278.415 3.159 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587206 804429019 /nfs/dbraw/zinc/42/90/19/804429019.db2.gz GBQGBDLZOUHDOO-XJFOESAGSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587206 804429023 /nfs/dbraw/zinc/42/90/23/804429023.db2.gz GBQGBDLZOUHDOO-XJFOESAGSA-N 2 2 292.389 3.365 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246588566 804431717 /nfs/dbraw/zinc/43/17/17/804431717.db2.gz WPBORUUWMUGNNP-KFWWJZLASA-N 2 2 258.425 3.497 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246588566 804431725 /nfs/dbraw/zinc/43/17/25/804431725.db2.gz WPBORUUWMUGNNP-KFWWJZLASA-N 2 2 258.425 3.497 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589949 804432281 /nfs/dbraw/zinc/43/22/81/804432281.db2.gz QDFVBZOTNOQFQF-XQQFMLRXSA-N 2 2 292.389 3.222 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589949 804432286 /nfs/dbraw/zinc/43/22/86/804432286.db2.gz QDFVBZOTNOQFQF-XQQFMLRXSA-N 2 2 292.389 3.222 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246598552 804437420 /nfs/dbraw/zinc/43/74/20/804437420.db2.gz AEDIHWFHRMNNLQ-MAUKXSAKSA-N 2 2 272.436 3.008 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001246598552 804437422 /nfs/dbraw/zinc/43/74/22/804437422.db2.gz AEDIHWFHRMNNLQ-MAUKXSAKSA-N 2 2 272.436 3.008 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]13CCC[NH2+]C3)C2 ZINC001246605620 804442349 /nfs/dbraw/zinc/44/23/49/804442349.db2.gz PWAJDACLHFQZCC-IAGOWNOFSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]13CCC[NH2+]C3)C2 ZINC001246605620 804442352 /nfs/dbraw/zinc/44/23/52/804442352.db2.gz PWAJDACLHFQZCC-IAGOWNOFSA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615148 804450531 /nfs/dbraw/zinc/45/05/31/804450531.db2.gz QKTSHQLNGCMFSB-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615148 804450535 /nfs/dbraw/zinc/45/05/35/804450535.db2.gz QKTSHQLNGCMFSB-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP c1ccc2c(c1)CCCC21CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246627345 804459073 /nfs/dbraw/zinc/45/90/73/804459073.db2.gz WEHIYCRWXLUUGL-QGZVFWFLSA-N 2 2 284.447 3.109 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641569 804469015 /nfs/dbraw/zinc/46/90/15/804469015.db2.gz JGNIEDKIJSVLGX-TUKIKUTGSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641569 804469017 /nfs/dbraw/zinc/46/90/17/804469017.db2.gz JGNIEDKIJSVLGX-TUKIKUTGSA-N 2 2 298.352 3.073 20 0 CGADLP CC[N@H+](Cc1cc(F)ccc1C)C1CC[NH+](C)CC1 ZINC001140592833 804470277 /nfs/dbraw/zinc/47/02/77/804470277.db2.gz GFSDCVXIPIIHQT-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1cc(F)ccc1C)C1CC[NH+](C)CC1 ZINC001140592833 804470279 /nfs/dbraw/zinc/47/02/79/804470279.db2.gz GFSDCVXIPIIHQT-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246644860 804471841 /nfs/dbraw/zinc/47/18/41/804471841.db2.gz JGNIEDKIJSVLGX-UGFHNGPFSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246644860 804471845 /nfs/dbraw/zinc/47/18/45/804471845.db2.gz JGNIEDKIJSVLGX-UGFHNGPFSA-N 2 2 298.352 3.073 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c[nH]1 ZINC001140708751 804494515 /nfs/dbraw/zinc/49/45/15/804494515.db2.gz HQJJDVJUMVCNIG-UHFFFAOYSA-N 2 2 295.430 3.037 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c[nH]1 ZINC001140708751 804494519 /nfs/dbraw/zinc/49/45/19/804494519.db2.gz HQJJDVJUMVCNIG-UHFFFAOYSA-N 2 2 295.430 3.037 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771789 804504482 /nfs/dbraw/zinc/50/44/82/804504482.db2.gz ZSZOKMQNAZEWHF-KGLIPLIRSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771789 804504485 /nfs/dbraw/zinc/50/44/85/804504485.db2.gz ZSZOKMQNAZEWHF-KGLIPLIRSA-N 2 2 266.816 3.302 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780231 804508644 /nfs/dbraw/zinc/50/86/44/804508644.db2.gz BLZSMFRDGILMJX-IRXDYDNUSA-N 2 2 288.435 3.192 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780231 804508646 /nfs/dbraw/zinc/50/86/46/804508646.db2.gz BLZSMFRDGILMJX-IRXDYDNUSA-N 2 2 288.435 3.192 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799851 804518184 /nfs/dbraw/zinc/51/81/84/804518184.db2.gz OKWGIFOEUKKINO-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799851 804518188 /nfs/dbraw/zinc/51/81/88/804518188.db2.gz OKWGIFOEUKKINO-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799851 804518192 /nfs/dbraw/zinc/51/81/92/804518192.db2.gz OKWGIFOEUKKINO-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799851 804518196 /nfs/dbraw/zinc/51/81/96/804518196.db2.gz OKWGIFOEUKKINO-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817529 804533702 /nfs/dbraw/zinc/53/37/02/804533702.db2.gz RLCRCXNSMKQIKP-SJORKVTESA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817529 804533708 /nfs/dbraw/zinc/53/37/08/804533708.db2.gz RLCRCXNSMKQIKP-SJORKVTESA-N 2 2 276.399 3.452 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246832092 804541226 /nfs/dbraw/zinc/54/12/26/804541226.db2.gz AJRRUOXXIJFACM-YESZJQIVSA-N 2 2 278.415 3.159 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246832092 804541232 /nfs/dbraw/zinc/54/12/32/804541232.db2.gz AJRRUOXXIJFACM-YESZJQIVSA-N 2 2 278.415 3.159 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001246839068 804548733 /nfs/dbraw/zinc/54/87/33/804548733.db2.gz HIXQXJMOLQTHKP-OAHLLOKOSA-N 2 2 266.816 3.304 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCC[NH2+]C1 ZINC001246839068 804548735 /nfs/dbraw/zinc/54/87/35/804548735.db2.gz HIXQXJMOLQTHKP-OAHLLOKOSA-N 2 2 266.816 3.304 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246845186 804553486 /nfs/dbraw/zinc/55/34/86/804553486.db2.gz LIFWSPVHTRZSLU-YVSFHVDLSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246845186 804553493 /nfs/dbraw/zinc/55/34/93/804553493.db2.gz LIFWSPVHTRZSLU-YVSFHVDLSA-N 2 2 282.472 3.390 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC001246883469 804579889 /nfs/dbraw/zinc/57/98/89/804579889.db2.gz QRNBLFWFTCXJRX-KBXCAEBGSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC[NH2+]CCC1 ZINC001246905029 804589815 /nfs/dbraw/zinc/58/98/15/804589815.db2.gz JWLSEDCWXISFMW-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001246936572 804608301 /nfs/dbraw/zinc/60/83/01/804608301.db2.gz FHXZENHXHPWKDV-LALPHHSUSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001246936572 804608306 /nfs/dbraw/zinc/60/83/06/804608306.db2.gz FHXZENHXHPWKDV-LALPHHSUSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953889 804618246 /nfs/dbraw/zinc/61/82/46/804618246.db2.gz UQDLBLVMNAYOLQ-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953889 804618248 /nfs/dbraw/zinc/61/82/48/804618248.db2.gz UQDLBLVMNAYOLQ-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965466 804619573 /nfs/dbraw/zinc/61/95/73/804619573.db2.gz VKQODMSVVQEPGS-ROUUACIJSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965466 804619576 /nfs/dbraw/zinc/61/95/76/804619576.db2.gz VKQODMSVVQEPGS-ROUUACIJSA-N 2 2 289.467 3.460 20 0 CGADLP CCCn1c(CCCCC[NH3+])[nH+]c2ccc(F)c(F)c21 ZINC001247040872 804648020 /nfs/dbraw/zinc/64/80/20/804648020.db2.gz DCJYSHSOYGEPRU-UHFFFAOYSA-N 2 2 281.350 3.396 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(C)c1F ZINC001143381951 804843763 /nfs/dbraw/zinc/84/37/63/804843763.db2.gz RFTBOEHBGLTUAX-UHFFFAOYSA-N 2 2 287.382 3.476 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249479351 805157796 /nfs/dbraw/zinc/15/77/96/805157796.db2.gz YYJYKMJTHJRRTK-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249479351 805157800 /nfs/dbraw/zinc/15/78/00/805157800.db2.gz YYJYKMJTHJRRTK-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)c[nH+]c1N ZINC001249782321 805243127 /nfs/dbraw/zinc/24/31/27/805243127.db2.gz UCLGBECTMNPBMQ-UHFFFAOYSA-N 2 2 283.379 3.101 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001155026432 805526120 /nfs/dbraw/zinc/52/61/20/805526120.db2.gz SWKZQJJELPTASC-GXFFZTMASA-N 2 2 281.831 3.399 20 0 CGADLP C[C@@H]1C[C@@H](CNc2cc(-c3ccccc3)cc[nH+]2)C[NH2+]1 ZINC001155101175 805539047 /nfs/dbraw/zinc/53/90/47/805539047.db2.gz NVUUUFDYEYXBOA-ZIAGYGMSSA-N 2 2 267.376 3.159 20 0 CGADLP c1ccc2cc(NCc3ccc4c(c3)CC[NH2+]C4)[nH+]cc2c1 ZINC001155267840 805565178 /nfs/dbraw/zinc/56/51/78/805565178.db2.gz PCAGFJQLYZXBFX-UHFFFAOYSA-N 2 2 289.382 3.493 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001257258210 807074124 /nfs/dbraw/zinc/07/41/24/807074124.db2.gz DGJIYNUXLJHREI-NUJGCVRESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257260345 807075402 /nfs/dbraw/zinc/07/54/02/807075402.db2.gz RNVVDAZFUBKIMG-FGTMMUONSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257260345 807075410 /nfs/dbraw/zinc/07/54/10/807075410.db2.gz RNVVDAZFUBKIMG-FGTMMUONSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257260345 807075418 /nfs/dbraw/zinc/07/54/18/807075418.db2.gz RNVVDAZFUBKIMG-FGTMMUONSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257260345 807075426 /nfs/dbraw/zinc/07/54/26/807075426.db2.gz RNVVDAZFUBKIMG-FGTMMUONSA-N 2 2 287.451 3.024 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257294515 807090316 /nfs/dbraw/zinc/09/03/16/807090316.db2.gz QGPNEFWPVZUJJK-MSOLQXFVSA-N 2 2 290.451 3.054 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257294515 807090323 /nfs/dbraw/zinc/09/03/23/807090323.db2.gz QGPNEFWPVZUJJK-MSOLQXFVSA-N 2 2 290.451 3.054 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299128 807093440 /nfs/dbraw/zinc/09/34/40/807093440.db2.gz UMDKUINHGOHFLW-UKRRQHHQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299128 807093448 /nfs/dbraw/zinc/09/34/48/807093448.db2.gz UMDKUINHGOHFLW-UKRRQHHQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257299128 807093453 /nfs/dbraw/zinc/09/34/53/807093453.db2.gz UMDKUINHGOHFLW-UKRRQHHQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257299128 807093462 /nfs/dbraw/zinc/09/34/62/807093462.db2.gz UMDKUINHGOHFLW-UKRRQHHQSA-N 2 2 293.480 3.228 20 0 CGADLP Cc1cc[nH+]c2cc(NCc3ccc(N)[nH+]c3C)ccc12 ZINC001167785716 807250509 /nfs/dbraw/zinc/25/05/09/807250509.db2.gz ANFXZCVJILGPHM-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC001258003600 807262798 /nfs/dbraw/zinc/26/27/98/807262798.db2.gz MSMGXLLETJGEOR-HNNXBMFYSA-N 2 2 275.440 3.161 20 0 CGADLP C[C@H](Cc1ccco1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258186734 807351475 /nfs/dbraw/zinc/35/14/75/807351475.db2.gz RTILLVAMTSMRJB-CQSZACIVSA-N 2 2 286.375 3.149 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CC(C)(C)SC ZINC001258350226 807423715 /nfs/dbraw/zinc/42/37/15/807423715.db2.gz ZAZLKQRABQNHGX-ZDUSSCGKSA-N 2 2 269.458 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CC(C)(C)SC ZINC001258350226 807423717 /nfs/dbraw/zinc/42/37/17/807423717.db2.gz ZAZLKQRABQNHGX-ZDUSSCGKSA-N 2 2 269.458 3.125 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001168491811 807435063 /nfs/dbraw/zinc/43/50/63/807435063.db2.gz NQZFQUBMVZSZFM-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001168491811 807435064 /nfs/dbraw/zinc/43/50/64/807435064.db2.gz NQZFQUBMVZSZFM-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001169145320 807591123 /nfs/dbraw/zinc/59/11/23/807591123.db2.gz MGBGFSPPVDZZPN-LVQVYYBASA-N 2 2 280.431 3.216 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)C2 ZINC001169145320 807591127 /nfs/dbraw/zinc/59/11/27/807591127.db2.gz MGBGFSPPVDZZPN-LVQVYYBASA-N 2 2 280.431 3.216 20 0 CGADLP CC1(C)C[C@@H](Nc2ccn3cc[nH+]c3c2)C[C@](C)(C[NH3+])C1 ZINC001169149044 807594763 /nfs/dbraw/zinc/59/47/63/807594763.db2.gz XHXXCCXMDAOQSH-PBHICJAKSA-N 2 2 286.423 3.290 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001169266631 807619168 /nfs/dbraw/zinc/61/91/68/807619168.db2.gz ZKCFXBRXWQGFKA-UHFFFAOYSA-N 2 2 268.420 3.075 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001169266631 807619172 /nfs/dbraw/zinc/61/91/72/807619172.db2.gz ZKCFXBRXWQGFKA-UHFFFAOYSA-N 2 2 268.420 3.075 20 0 CGADLP Cc1ccc2c(Nc3cc[nH+]c(CO)c3)cccc2[nH+]1 ZINC001212795966 815142164 /nfs/dbraw/zinc/14/21/64/815142164.db2.gz LDHPEYOOQMQJSH-UHFFFAOYSA-N 2 2 265.316 3.174 20 0 CGADLP CC(C)CCC[C@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001170087745 807752471 /nfs/dbraw/zinc/75/24/71/807752471.db2.gz KNFIRZQRFSBIMB-SFHVURJKSA-N 3 2 299.547 3.407 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001170113060 807762021 /nfs/dbraw/zinc/76/20/21/807762021.db2.gz MABZSFUYAYBRIU-PBHICJAKSA-N 2 2 288.435 3.135 20 0 CGADLP Cc1ccc(N([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001170767341 807904168 /nfs/dbraw/zinc/90/41/68/807904168.db2.gz RODYNUYNBQGGLI-BJWYYQGGSA-N 2 2 299.462 3.383 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170969417 807948122 /nfs/dbraw/zinc/94/81/22/807948122.db2.gz HNYXPKNTZYPBAR-HOTGVXAUSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170969417 807948127 /nfs/dbraw/zinc/94/81/27/807948127.db2.gz HNYXPKNTZYPBAR-HOTGVXAUSA-N 2 2 290.426 3.003 20 0 CGADLP Cc1c[nH+]cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1C ZINC001171093550 807981319 /nfs/dbraw/zinc/98/13/19/807981319.db2.gz KSKMXCHWHZOJNT-CQSZACIVSA-N 2 2 291.398 3.458 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447675 808060915 /nfs/dbraw/zinc/06/09/15/808060915.db2.gz FFYMPNBXHDIVBO-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447675 808060922 /nfs/dbraw/zinc/06/09/22/808060922.db2.gz FFYMPNBXHDIVBO-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171559599 808094984 /nfs/dbraw/zinc/09/49/84/808094984.db2.gz JMUQTQPJYOZTFA-MOPGFXCFSA-N 2 2 298.474 3.316 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171559599 808094993 /nfs/dbraw/zinc/09/49/93/808094993.db2.gz JMUQTQPJYOZTFA-MOPGFXCFSA-N 2 2 298.474 3.316 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccncc2Cl)CC1(C)C ZINC001171626107 808108275 /nfs/dbraw/zinc/10/82/75/808108275.db2.gz VYMZKUJZOXPEMR-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC001172101645 808172970 /nfs/dbraw/zinc/17/29/70/808172970.db2.gz GSVNAWARXCOETC-RUZUBIRVSA-N 2 2 279.453 3.117 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC001172101645 808172974 /nfs/dbraw/zinc/17/29/74/808172974.db2.gz GSVNAWARXCOETC-RUZUBIRVSA-N 2 2 279.453 3.117 20 0 CGADLP c1cn(C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)c[nH+]1 ZINC001172207048 808198865 /nfs/dbraw/zinc/19/88/65/808198865.db2.gz WBVWZWVFAXEHEM-INIZCTEOSA-N 2 2 299.443 3.237 20 0 CGADLP c1[nH]c2c(cccc2Nc2cc[nH+]c(N3CCCC3)c2)[nH+]1 ZINC001213029222 815203261 /nfs/dbraw/zinc/20/32/61/815203261.db2.gz IUQKGXRIMNHLNL-UHFFFAOYSA-N 2 2 279.347 3.302 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173260943 808566451 /nfs/dbraw/zinc/56/64/51/808566451.db2.gz VGLFSSAUYIALOL-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001173260943 808566456 /nfs/dbraw/zinc/56/64/56/808566456.db2.gz VGLFSSAUYIALOL-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCCc1ccccc1)C2 ZINC001274991425 808895937 /nfs/dbraw/zinc/89/59/37/808895937.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCCCc1ccccc1)C2 ZINC001274991425 808895945 /nfs/dbraw/zinc/89/59/45/808895945.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCc1ccccc1)C2 ZINC001274991425 808895952 /nfs/dbraw/zinc/89/59/52/808895952.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCc1ccccc1)C2 ZINC001274991425 808895960 /nfs/dbraw/zinc/89/59/60/808895960.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP CC[C@@H](C)C[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275061035 808903298 /nfs/dbraw/zinc/90/32/98/808903298.db2.gz AGNMZSXOSDBLKN-CYBMUJFWSA-N 2 2 292.389 3.383 20 0 CGADLP CC[C@@H](C)C[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275061035 808903303 /nfs/dbraw/zinc/90/33/03/808903303.db2.gz AGNMZSXOSDBLKN-CYBMUJFWSA-N 2 2 292.389 3.383 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001276047494 808985988 /nfs/dbraw/zinc/98/59/88/808985988.db2.gz QVZQAZSKYDVWBL-WTFUZHRASA-N 2 2 288.479 3.229 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001276047494 808985990 /nfs/dbraw/zinc/98/59/90/808985990.db2.gz QVZQAZSKYDVWBL-WTFUZHRASA-N 2 2 288.479 3.229 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001276047494 808985991 /nfs/dbraw/zinc/98/59/91/808985991.db2.gz QVZQAZSKYDVWBL-WTFUZHRASA-N 2 2 288.479 3.229 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001276047494 808985993 /nfs/dbraw/zinc/98/59/93/808985993.db2.gz QVZQAZSKYDVWBL-WTFUZHRASA-N 2 2 288.479 3.229 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351902 809373862 /nfs/dbraw/zinc/37/38/62/809373862.db2.gz XIDSHWABIKDWST-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP COc1cc[nH+]c(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175504678 809433174 /nfs/dbraw/zinc/43/31/74/809433174.db2.gz BGHPKGMRQDVJEZ-UHFFFAOYSA-N 2 2 295.386 3.292 20 0 CGADLP COc1cc[nH+]c(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175504678 809433178 /nfs/dbraw/zinc/43/31/78/809433178.db2.gz BGHPKGMRQDVJEZ-UHFFFAOYSA-N 2 2 295.386 3.292 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001213491824 815290182 /nfs/dbraw/zinc/29/01/82/815290182.db2.gz RQFQGFDAXFLATD-UHFFFAOYSA-N 2 2 294.402 3.394 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001213491824 815290184 /nfs/dbraw/zinc/29/01/84/815290184.db2.gz RQFQGFDAXFLATD-UHFFFAOYSA-N 2 2 294.402 3.394 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001177822906 809825685 /nfs/dbraw/zinc/82/56/85/809825685.db2.gz OXNASDGRCOVVCG-BZSNNMDCSA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001177822906 809825694 /nfs/dbraw/zinc/82/56/94/809825694.db2.gz OXNASDGRCOVVCG-BZSNNMDCSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC001197263958 811408629 /nfs/dbraw/zinc/40/86/29/811408629.db2.gz HTOJSPOEFHGWNX-GOSISDBHSA-N 2 2 292.386 3.118 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001199648776 811583204 /nfs/dbraw/zinc/58/32/04/811583204.db2.gz NMWYUKMTNDYHRM-ONEGZZNKSA-N 2 2 273.355 3.105 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1nc(C)cs1 ZINC001200294121 811671951 /nfs/dbraw/zinc/67/19/51/811671951.db2.gz WLBWWEPYJXTISS-ZDUSSCGKSA-N 2 2 290.436 3.153 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2[nH+]cccc2N2CCCC2)c1 ZINC001201396723 811827539 /nfs/dbraw/zinc/82/75/39/811827539.db2.gz VRPDDKZKZRKGAN-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001201402232 811831137 /nfs/dbraw/zinc/83/11/37/811831137.db2.gz ZLSYNCFGIWKBEH-INIZCTEOSA-N 2 2 274.408 3.423 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001201402232 811831149 /nfs/dbraw/zinc/83/11/49/811831149.db2.gz ZLSYNCFGIWKBEH-INIZCTEOSA-N 2 2 274.408 3.423 20 0 CGADLP C[NH+]1CCC([N@H+](CC(C)(C)C)C2CCCC2)CC1 ZINC001201448007 811852283 /nfs/dbraw/zinc/85/22/83/811852283.db2.gz WXUBSHQEYHLQMQ-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP C[NH+]1CCC([N@@H+](CC(C)(C)C)C2CCCC2)CC1 ZINC001201448007 811852289 /nfs/dbraw/zinc/85/22/89/811852289.db2.gz WXUBSHQEYHLQMQ-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001201672333 811935154 /nfs/dbraw/zinc/93/51/54/811935154.db2.gz UZWSSNOGEJJLGR-SFHVURJKSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001201672333 811935155 /nfs/dbraw/zinc/93/51/55/811935155.db2.gz UZWSSNOGEJJLGR-SFHVURJKSA-N 2 2 296.414 3.476 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC001201952041 811981986 /nfs/dbraw/zinc/98/19/86/811981986.db2.gz GITVKBSSTLERHW-UHFFFAOYSA-N 2 2 276.399 3.132 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC001201952041 811981991 /nfs/dbraw/zinc/98/19/91/811981991.db2.gz GITVKBSSTLERHW-UHFFFAOYSA-N 2 2 276.399 3.132 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001202281787 812056043 /nfs/dbraw/zinc/05/60/43/812056043.db2.gz WNUNUJSSYWNDKT-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001202281787 812056053 /nfs/dbraw/zinc/05/60/53/812056053.db2.gz WNUNUJSSYWNDKT-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001202987297 812214021 /nfs/dbraw/zinc/21/40/21/812214021.db2.gz WYBQBUQLXUIFGN-QBPKDAKJSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001202987297 812214028 /nfs/dbraw/zinc/21/40/28/812214028.db2.gz WYBQBUQLXUIFGN-QBPKDAKJSA-N 2 2 264.457 3.419 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001203922180 812493171 /nfs/dbraw/zinc/49/31/71/812493171.db2.gz MIBKFLIRBIRKQR-HUUCEWRRSA-N 2 2 278.827 3.114 20 0 CGADLP COc1cc(C)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001204615316 812691144 /nfs/dbraw/zinc/69/11/44/812691144.db2.gz HPGOSTNUJNMHOK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001204615316 812691148 /nfs/dbraw/zinc/69/11/48/812691148.db2.gz HPGOSTNUJNMHOK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001204615316 812691152 /nfs/dbraw/zinc/69/11/52/812691152.db2.gz HPGOSTNUJNMHOK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001204615316 812691156 /nfs/dbraw/zinc/69/11/56/812691156.db2.gz HPGOSTNUJNMHOK-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP Cc1cc(-c2ccc(C[NH+](C)C)cc2)c2[nH+]ccn2c1 ZINC001204639132 812697359 /nfs/dbraw/zinc/69/73/59/812697359.db2.gz XZFXSWPDFCVOIT-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204783613 812735574 /nfs/dbraw/zinc/73/55/74/812735574.db2.gz UZWBJRCYXNNDOO-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2cccs2)C1 ZINC001204783613 812735579 /nfs/dbraw/zinc/73/55/79/812735579.db2.gz UZWBJRCYXNNDOO-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204789783 812737672 /nfs/dbraw/zinc/73/76/72/812737672.db2.gz CFIAZMZNZKVCIA-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001204789783 812737680 /nfs/dbraw/zinc/73/76/80/812737680.db2.gz CFIAZMZNZKVCIA-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001204925603 812778409 /nfs/dbraw/zinc/77/84/09/812778409.db2.gz XDZOQQUWEOEWFH-CQSZACIVSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001204925603 812778416 /nfs/dbraw/zinc/77/84/16/812778416.db2.gz XDZOQQUWEOEWFH-CQSZACIVSA-N 2 2 286.341 3.061 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204947443 812793240 /nfs/dbraw/zinc/79/32/40/812793240.db2.gz YHZZIIMKGJBNGW-SFHVURJKSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204947443 812793243 /nfs/dbraw/zinc/79/32/43/812793243.db2.gz YHZZIIMKGJBNGW-SFHVURJKSA-N 2 2 290.451 3.404 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001205094785 812861839 /nfs/dbraw/zinc/86/18/39/812861839.db2.gz PLXOXKHEFBCXRL-LLVKDONJSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001205094785 812861847 /nfs/dbraw/zinc/86/18/47/812861847.db2.gz PLXOXKHEFBCXRL-LLVKDONJSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC001205288878 812933052 /nfs/dbraw/zinc/93/30/52/812933052.db2.gz PGDCZLOWHPXKQP-LBPRGKRZSA-N 2 2 258.818 3.105 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205288878 812933054 /nfs/dbraw/zinc/93/30/54/812933054.db2.gz PGDCZLOWHPXKQP-LBPRGKRZSA-N 2 2 258.818 3.105 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296160 812936405 /nfs/dbraw/zinc/93/64/05/812936405.db2.gz IFLSSFIMWXVELF-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205296160 812936408 /nfs/dbraw/zinc/93/64/08/812936408.db2.gz IFLSSFIMWXVELF-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205333277 812959921 /nfs/dbraw/zinc/95/99/21/812959921.db2.gz ZCWIBMHXRMPLLI-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205333277 812959925 /nfs/dbraw/zinc/95/99/25/812959925.db2.gz ZCWIBMHXRMPLLI-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843635 813106132 /nfs/dbraw/zinc/10/61/32/813106132.db2.gz TVXXSJVSJMNKNP-YPMHNXCESA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001205843635 813106135 /nfs/dbraw/zinc/10/61/35/813106135.db2.gz TVXXSJVSJMNKNP-YPMHNXCESA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1)c1cccc2ccccc21 ZINC001205895528 813121283 /nfs/dbraw/zinc/12/12/83/813121283.db2.gz HSXZZHRNXXUWJR-MORSLUCNSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1)c1cccc2ccccc21 ZINC001205895528 813121285 /nfs/dbraw/zinc/12/12/85/813121285.db2.gz HSXZZHRNXXUWJR-MORSLUCNSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001205903241 813124639 /nfs/dbraw/zinc/12/46/39/813124639.db2.gz NSNCSVPCVNJZEU-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001205903241 813124641 /nfs/dbraw/zinc/12/46/41/813124641.db2.gz NSNCSVPCVNJZEU-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1C(C)C ZINC001205931006 813139446 /nfs/dbraw/zinc/13/94/46/813139446.db2.gz FYJVXEHBIXVFBU-OAHLLOKOSA-N 2 2 276.424 3.132 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1C(C)C ZINC001205931006 813139448 /nfs/dbraw/zinc/13/94/48/813139448.db2.gz FYJVXEHBIXVFBU-OAHLLOKOSA-N 2 2 276.424 3.132 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]C[C@@H](C)OC)[NH+](CC)CC)cc1 ZINC001206047810 813181058 /nfs/dbraw/zinc/18/10/58/813181058.db2.gz MEQMBOPVZBQEGP-CRAIPNDOSA-N 2 2 292.467 3.256 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@@H]1F ZINC001206163918 813221527 /nfs/dbraw/zinc/22/15/27/813221527.db2.gz HWCDGRDWRULURD-UONOGXRCSA-N 2 2 295.789 3.083 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@@H]1F ZINC001206163918 813221535 /nfs/dbraw/zinc/22/15/35/813221535.db2.gz HWCDGRDWRULURD-UONOGXRCSA-N 2 2 295.789 3.083 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343560 813296111 /nfs/dbraw/zinc/29/61/11/813296111.db2.gz GNGICBAHKCXJEQ-HNNXBMFYSA-N 2 2 282.428 3.061 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206343560 813296118 /nfs/dbraw/zinc/29/61/18/813296118.db2.gz GNGICBAHKCXJEQ-HNNXBMFYSA-N 2 2 282.428 3.061 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001206730783 813411437 /nfs/dbraw/zinc/41/14/37/813411437.db2.gz ZWQMDEKXPYRGJR-UHFFFAOYSA-N 2 2 280.415 3.058 20 0 CGADLP C[N@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001207126978 813492729 /nfs/dbraw/zinc/49/27/29/813492729.db2.gz VEYSCWAGNHCZFV-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001207126978 813492733 /nfs/dbraw/zinc/49/27/33/813492733.db2.gz VEYSCWAGNHCZFV-UHFFFAOYSA-N 2 2 268.351 3.150 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207132623 813494339 /nfs/dbraw/zinc/49/43/39/813494339.db2.gz LNLIYLUICBNUGC-GASCZTMLSA-N 2 2 280.362 3.008 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207132623 813494343 /nfs/dbraw/zinc/49/43/43/813494343.db2.gz LNLIYLUICBNUGC-GASCZTMLSA-N 2 2 280.362 3.008 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207132623 813494346 /nfs/dbraw/zinc/49/43/46/813494346.db2.gz LNLIYLUICBNUGC-GASCZTMLSA-N 2 2 280.362 3.008 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207132623 813494349 /nfs/dbraw/zinc/49/43/49/813494349.db2.gz LNLIYLUICBNUGC-GASCZTMLSA-N 2 2 280.362 3.008 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609350 813613752 /nfs/dbraw/zinc/61/37/52/813613752.db2.gz WCVOEFDGKDPCOM-IRXDYDNUSA-N 2 2 264.457 3.373 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609350 813613753 /nfs/dbraw/zinc/61/37/53/813613753.db2.gz WCVOEFDGKDPCOM-IRXDYDNUSA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609350 813613756 /nfs/dbraw/zinc/61/37/56/813613756.db2.gz WCVOEFDGKDPCOM-IRXDYDNUSA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609350 813613757 /nfs/dbraw/zinc/61/37/57/813613757.db2.gz WCVOEFDGKDPCOM-IRXDYDNUSA-N 2 2 264.457 3.373 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171751 813725272 /nfs/dbraw/zinc/72/52/72/813725272.db2.gz XBJQFGKNGFKCEG-XSLAGTTESA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171751 813725278 /nfs/dbraw/zinc/72/52/78/813725278.db2.gz XBJQFGKNGFKCEG-XSLAGTTESA-N 2 2 294.458 3.487 20 0 CGADLP CC[N@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208176232 813727094 /nfs/dbraw/zinc/72/70/94/813727094.db2.gz PLYDPDBZPDGTGH-JKSUJKDBSA-N 2 2 264.457 3.395 20 0 CGADLP CC[N@@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001208176232 813727098 /nfs/dbraw/zinc/72/70/98/813727098.db2.gz PLYDPDBZPDGTGH-JKSUJKDBSA-N 2 2 264.457 3.395 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242675147 823094625 /nfs/dbraw/zinc/09/46/25/823094625.db2.gz FGAFFVYRIUVBLK-UHFFFAOYSA-N 2 2 275.355 3.357 20 0 CGADLP COc1cc2[nH+]ccn2cc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242694761 823103008 /nfs/dbraw/zinc/10/30/08/823103008.db2.gz RBVPRKHPKNUMCX-OAHLLOKOSA-N 2 2 297.402 3.375 20 0 CGADLP C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1c[nH+]ccc1N ZINC001209731016 814125672 /nfs/dbraw/zinc/12/56/72/814125672.db2.gz MRYQTHWQBLGUAC-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP C[N@H+](Cc1ccccc1C(F)(F)F)Cc1c[nH+]ccc1N ZINC001209731016 814125679 /nfs/dbraw/zinc/12/56/79/814125679.db2.gz MRYQTHWQBLGUAC-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(CC[NH+]3CCCC3)cc2)cc1N ZINC001210287694 814384028 /nfs/dbraw/zinc/38/40/28/814384028.db2.gz AAHBENPVXCIRLL-UHFFFAOYSA-N 2 2 296.418 3.354 20 0 CGADLP Cc1ccc(O)c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210706148 814589533 /nfs/dbraw/zinc/58/95/33/814589533.db2.gz TXKVXKOOCWGAPZ-CQSZACIVSA-N 2 2 273.380 3.040 20 0 CGADLP Cc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC001210706046 814589694 /nfs/dbraw/zinc/58/96/94/814589694.db2.gz ZBDNSZSTYDFSIQ-OAHLLOKOSA-N 2 2 272.396 3.038 20 0 CGADLP COc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(C)c[nH+]1 ZINC001210707771 814591299 /nfs/dbraw/zinc/59/12/99/814591299.db2.gz DPEIDNQCSZJUOH-HNNXBMFYSA-N 2 2 287.407 3.343 20 0 CGADLP COc1cc(Nc2cc[nH+]c(C3CC3)c2)cc(C)[nH+]1 ZINC001210780145 814625421 /nfs/dbraw/zinc/62/54/21/814625421.db2.gz IBKSHDGFLNIQSL-UHFFFAOYSA-N 2 2 255.321 3.415 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cccc3[nH+]c(C)cn32)cc1 ZINC001211127530 814754111 /nfs/dbraw/zinc/75/41/11/814754111.db2.gz MWGBRQWDSAQSII-UHFFFAOYSA-N 2 2 266.348 3.106 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001211129754 814755348 /nfs/dbraw/zinc/75/53/48/814755348.db2.gz FPCHIMNKZBZPRA-UHFFFAOYSA-N 2 2 282.391 3.145 20 0 CGADLP CCOc1cc[nH+]cc1Nc1cccc(C[NH+](C)C)c1F ZINC001216227314 815745387 /nfs/dbraw/zinc/74/53/87/815745387.db2.gz AQVQCQXOOYZGOD-UHFFFAOYSA-N 2 2 289.354 3.425 20 0 CGADLP Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C[NH+](C)C)c1F ZINC001216231145 815748841 /nfs/dbraw/zinc/74/88/41/815748841.db2.gz SSUUTIPQGMQNAH-UHFFFAOYSA-N 2 2 298.365 3.117 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cccc2n1 ZINC001222360171 816419151 /nfs/dbraw/zinc/41/91/51/816419151.db2.gz ILHDFEKUIJICCE-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cccc2n1 ZINC001222360171 816419155 /nfs/dbraw/zinc/41/91/55/816419155.db2.gz ILHDFEKUIJICCE-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP c1cc2c(c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c1)CCC2 ZINC001222400618 816433342 /nfs/dbraw/zinc/43/33/42/816433342.db2.gz BJGWUYCRRILIKU-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc2c(c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c1)CCC2 ZINC001222400618 816433343 /nfs/dbraw/zinc/43/33/43/816433343.db2.gz BJGWUYCRRILIKU-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1ccc2c(c1)CCCC21CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC001222615525 816478996 /nfs/dbraw/zinc/47/89/96/816478996.db2.gz QTZAPQLVZUKDKZ-QGZVFWFLSA-N 2 2 284.447 3.109 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001228556334 817938481 /nfs/dbraw/zinc/93/84/81/817938481.db2.gz OBXRIWWESLMFHO-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP CC[N@H+](Cc1ccc2ncsc2c1)C1CC[NH+](C)CC1 ZINC001232742150 818430551 /nfs/dbraw/zinc/43/05/51/818430551.db2.gz VKJAYHHIMKUINL-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](Cc1ccc2ncsc2c1)C1CC[NH+](C)CC1 ZINC001232742150 818430553 /nfs/dbraw/zinc/43/05/53/818430553.db2.gz VKJAYHHIMKUINL-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC1(C)CCC2(CC[NH+](Cc3cccc4[nH+]ccn43)CC2)O1 ZINC001233364167 818597815 /nfs/dbraw/zinc/59/78/15/818597815.db2.gz VDPFGSFTYCAGLB-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C1CC1 ZINC001235002780 818973708 /nfs/dbraw/zinc/97/37/08/818973708.db2.gz XLJMVAUFNVQLHL-GOSISDBHSA-N 2 2 288.410 3.279 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C1CC1 ZINC001235002780 818973710 /nfs/dbraw/zinc/97/37/10/818973710.db2.gz XLJMVAUFNVQLHL-GOSISDBHSA-N 2 2 288.410 3.279 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)c(C)c1C ZINC001235005012 818976683 /nfs/dbraw/zinc/97/66/83/818976683.db2.gz DLAZZCGTGBJAHM-FUHWJXTLSA-N 2 2 272.436 3.022 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)c(C)c1C ZINC001235005012 818976693 /nfs/dbraw/zinc/97/66/93/818976693.db2.gz DLAZZCGTGBJAHM-FUHWJXTLSA-N 2 2 272.436 3.022 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC001235018746 818980665 /nfs/dbraw/zinc/98/06/65/818980665.db2.gz VHARUYUQPGDCLI-HNAYVOBHSA-N 2 2 280.415 3.332 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc12 ZINC001235018746 818980668 /nfs/dbraw/zinc/98/06/68/818980668.db2.gz VHARUYUQPGDCLI-HNAYVOBHSA-N 2 2 280.415 3.332 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235114456 819008443 /nfs/dbraw/zinc/00/84/43/819008443.db2.gz LUSHDURUVNNINM-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235114456 819008450 /nfs/dbraw/zinc/00/84/50/819008450.db2.gz LUSHDURUVNNINM-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235114711 819009320 /nfs/dbraw/zinc/00/93/20/819009320.db2.gz GEWMFASSVMYBIH-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235114711 819009329 /nfs/dbraw/zinc/00/93/29/819009329.db2.gz GEWMFASSVMYBIH-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1C ZINC001235120288 819010245 /nfs/dbraw/zinc/01/02/45/819010245.db2.gz MPOGZZRWNAXFCF-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1C ZINC001235120288 819010250 /nfs/dbraw/zinc/01/02/50/819010250.db2.gz MPOGZZRWNAXFCF-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235160446 819019608 /nfs/dbraw/zinc/01/96/08/819019608.db2.gz TULQUWOIEZGJOW-DLBZAZTESA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc(-c3ccsc3)c1)C2 ZINC001235160446 819019611 /nfs/dbraw/zinc/01/96/11/819019611.db2.gz TULQUWOIEZGJOW-DLBZAZTESA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235159233 819020019 /nfs/dbraw/zinc/02/00/19/819020019.db2.gz QQROEDZDDZDPOJ-DOTOQJQBSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3cccs3)cc1)C2 ZINC001235159233 819020024 /nfs/dbraw/zinc/02/00/24/819020024.db2.gz QQROEDZDDZDPOJ-DOTOQJQBSA-N 2 2 284.428 3.338 20 0 CGADLP Cn1ccc2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc21 ZINC001235167244 819021148 /nfs/dbraw/zinc/02/11/48/819021148.db2.gz GPCSBUFNVUKVSK-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc21 ZINC001235167244 819021151 /nfs/dbraw/zinc/02/11/51/819021151.db2.gz GPCSBUFNVUKVSK-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001235167721 819021484 /nfs/dbraw/zinc/02/14/84/819021484.db2.gz NZMAVYFDIIKJFF-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001235167721 819021487 /nfs/dbraw/zinc/02/14/87/819021487.db2.gz NZMAVYFDIIKJFF-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cs1 ZINC001235174429 819024665 /nfs/dbraw/zinc/02/46/65/819024665.db2.gz IFUOBRKGTABUCG-HNNXBMFYSA-N 2 2 264.438 3.165 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cs1 ZINC001235174429 819024673 /nfs/dbraw/zinc/02/46/73/819024673.db2.gz IFUOBRKGTABUCG-HNNXBMFYSA-N 2 2 264.438 3.165 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cs1 ZINC001235249699 819048414 /nfs/dbraw/zinc/04/84/14/819048414.db2.gz VEQSMCIYZWWJFP-QZTJIDSGSA-N 2 2 298.455 3.470 20 0 CGADLP c1cc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cs1 ZINC001235249699 819048415 /nfs/dbraw/zinc/04/84/15/819048415.db2.gz VEQSMCIYZWWJFP-QZTJIDSGSA-N 2 2 298.455 3.470 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235254437 819051386 /nfs/dbraw/zinc/05/13/86/819051386.db2.gz IYAKWVONRNIHBA-DOMZBBRYSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235254437 819051391 /nfs/dbraw/zinc/05/13/91/819051391.db2.gz IYAKWVONRNIHBA-DOMZBBRYSA-N 2 2 299.245 3.220 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235257514 819053041 /nfs/dbraw/zinc/05/30/41/819053041.db2.gz IJQTYVWAFAUPLK-HOCLYGCPSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235257514 819053047 /nfs/dbraw/zinc/05/30/47/819053047.db2.gz IJQTYVWAFAUPLK-HOCLYGCPSA-N 2 2 284.428 3.209 20 0 CGADLP C[N@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001235348326 819075127 /nfs/dbraw/zinc/07/51/27/819075127.db2.gz XIUQCABUOZTZGF-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@@H+](Cc1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001235348326 819075133 /nfs/dbraw/zinc/07/51/33/819075133.db2.gz XIUQCABUOZTZGF-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711199 819148783 /nfs/dbraw/zinc/14/87/83/819148783.db2.gz LTXFXTURKGLNBS-UHFFFAOYSA-N 2 2 288.435 3.051 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711199 819148786 /nfs/dbraw/zinc/14/87/86/819148786.db2.gz LTXFXTURKGLNBS-UHFFFAOYSA-N 2 2 288.435 3.051 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892230 819202261 /nfs/dbraw/zinc/20/22/61/819202261.db2.gz MZQLSPSNHBFAJG-GOEBONIOSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892230 819202269 /nfs/dbraw/zinc/20/22/69/819202269.db2.gz MZQLSPSNHBFAJG-GOEBONIOSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235909137 819218020 /nfs/dbraw/zinc/21/80/20/819218020.db2.gz ZNPMUBJNCAZTJI-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235909137 819218022 /nfs/dbraw/zinc/21/80/22/819218022.db2.gz ZNPMUBJNCAZTJI-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC001235942916 819234042 /nfs/dbraw/zinc/23/40/42/819234042.db2.gz YPHCPNZFRLVTBX-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC001235942916 819234046 /nfs/dbraw/zinc/23/40/46/819234046.db2.gz YPHCPNZFRLVTBX-YPMHNXCESA-N 2 2 299.245 3.343 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc(OC(C)(C)C)c1 ZINC001235946903 819235870 /nfs/dbraw/zinc/23/58/70/819235870.db2.gz CAANGZZMXLYSCW-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(OC(C)(C)C)c1 ZINC001235946903 819235872 /nfs/dbraw/zinc/23/58/72/819235872.db2.gz CAANGZZMXLYSCW-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235998433 819266896 /nfs/dbraw/zinc/26/68/96/819266896.db2.gz YUYLFBQAMJFPLP-PBHICJAKSA-N 2 2 299.443 3.042 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235998433 819266903 /nfs/dbraw/zinc/26/69/03/819266903.db2.gz YUYLFBQAMJFPLP-PBHICJAKSA-N 2 2 299.443 3.042 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1C(C)C ZINC001236048379 819286351 /nfs/dbraw/zinc/28/63/51/819286351.db2.gz OFFWBTKPVQOPIG-CZUORRHYSA-N 2 2 290.451 3.296 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1C(C)C ZINC001236048379 819286359 /nfs/dbraw/zinc/28/63/59/819286359.db2.gz OFFWBTKPVQOPIG-CZUORRHYSA-N 2 2 290.451 3.296 20 0 CGADLP CC[N@H+](CCCc1ccc(Cl)c(Cl)c1)CC[NH2+]C ZINC001236143078 819343822 /nfs/dbraw/zinc/34/38/22/819343822.db2.gz HBPZWBRSTPSLSK-UHFFFAOYSA-N 2 2 289.250 3.467 20 0 CGADLP CC[N@@H+](CCCc1ccc(Cl)c(Cl)c1)CC[NH2+]C ZINC001236143078 819343830 /nfs/dbraw/zinc/34/38/30/819343830.db2.gz HBPZWBRSTPSLSK-UHFFFAOYSA-N 2 2 289.250 3.467 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001236142764 819343877 /nfs/dbraw/zinc/34/38/77/819343877.db2.gz ACRFEAFMRJENMH-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001236142764 819343884 /nfs/dbraw/zinc/34/38/84/819343884.db2.gz ACRFEAFMRJENMH-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001236142799 819343945 /nfs/dbraw/zinc/34/39/45/819343945.db2.gz AKLPVRUVFCQSGJ-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001236142799 819343950 /nfs/dbraw/zinc/34/39/50/819343950.db2.gz AKLPVRUVFCQSGJ-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236168894 819354107 /nfs/dbraw/zinc/35/41/07/819354107.db2.gz MLXAZFQNMXTUAG-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001236168894 819354112 /nfs/dbraw/zinc/35/41/12/819354112.db2.gz MLXAZFQNMXTUAG-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP CCc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236205547 819367953 /nfs/dbraw/zinc/36/79/53/819367953.db2.gz GPMYDGZRBNAQBK-MRXNPFEDSA-N 2 2 280.843 3.476 20 0 CGADLP CCc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236205547 819367961 /nfs/dbraw/zinc/36/79/61/819367961.db2.gz GPMYDGZRBNAQBK-MRXNPFEDSA-N 2 2 280.843 3.476 20 0 CGADLP COc1cc(C)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1C ZINC001236207375 819370880 /nfs/dbraw/zinc/37/08/80/819370880.db2.gz NPKYUKXZOBYVDO-SFHVURJKSA-N 2 2 290.451 3.194 20 0 CGADLP COc1cc(C)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1C ZINC001236207375 819370888 /nfs/dbraw/zinc/37/08/88/819370888.db2.gz NPKYUKXZOBYVDO-SFHVURJKSA-N 2 2 290.451 3.194 20 0 CGADLP C[N@H+](Cc1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212990 819373960 /nfs/dbraw/zinc/37/39/60/819373960.db2.gz AQAYXKKORXJIGG-MOPGFXCFSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236212990 819373966 /nfs/dbraw/zinc/37/39/66/819373966.db2.gz AQAYXKKORXJIGG-MOPGFXCFSA-N 2 2 295.430 3.450 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1C ZINC001236215616 819378663 /nfs/dbraw/zinc/37/86/63/819378663.db2.gz FKVNRRIPWKMVRT-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1C ZINC001236215616 819378668 /nfs/dbraw/zinc/37/86/68/819378668.db2.gz FKVNRRIPWKMVRT-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217613 819382326 /nfs/dbraw/zinc/38/23/26/819382326.db2.gz PKLKEJLOKQRIAS-KGLIPLIRSA-N 2 2 282.815 3.050 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236217613 819382336 /nfs/dbraw/zinc/38/23/36/819382336.db2.gz PKLKEJLOKQRIAS-KGLIPLIRSA-N 2 2 282.815 3.050 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCC[C@H]([NH2+]C4CC4)C3)c2o1 ZINC001236221875 819387404 /nfs/dbraw/zinc/38/74/04/819387404.db2.gz GEXUVVAKPJRPQI-INIZCTEOSA-N 2 2 270.376 3.149 20 0 CGADLP c1cc2cccc(C[N@H+]3CCC[C@H]([NH2+]C4CC4)C3)c2o1 ZINC001236221875 819387410 /nfs/dbraw/zinc/38/74/10/819387410.db2.gz GEXUVVAKPJRPQI-INIZCTEOSA-N 2 2 270.376 3.149 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236226539 819391862 /nfs/dbraw/zinc/39/18/62/819391862.db2.gz OLNMZNYMVHMZCM-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236226539 819391868 /nfs/dbraw/zinc/39/18/68/819391868.db2.gz OLNMZNYMVHMZCM-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C)cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236236662 819397067 /nfs/dbraw/zinc/39/70/67/819397067.db2.gz KSZDLNZMHFHXBK-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cc(C)cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236236662 819397074 /nfs/dbraw/zinc/39/70/74/819397074.db2.gz KSZDLNZMHFHXBK-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236239275 819398367 /nfs/dbraw/zinc/39/83/67/819398367.db2.gz GHBSWBPQRZUABH-SFHVURJKSA-N 2 2 295.430 3.194 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236239275 819398373 /nfs/dbraw/zinc/39/83/73/819398373.db2.gz GHBSWBPQRZUABH-SFHVURJKSA-N 2 2 295.430 3.194 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001236325025 819426665 /nfs/dbraw/zinc/42/66/65/819426665.db2.gz WXZRBLPXONUIME-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001236325025 819426672 /nfs/dbraw/zinc/42/66/72/819426672.db2.gz WXZRBLPXONUIME-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236411685 819458014 /nfs/dbraw/zinc/45/80/14/819458014.db2.gz OGXAOZRLWRRWLR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236411685 819458018 /nfs/dbraw/zinc/45/80/18/819458018.db2.gz OGXAOZRLWRRWLR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236416969 819461994 /nfs/dbraw/zinc/46/19/94/819461994.db2.gz BITRTJOIQYOKQB-SMDDNHRTSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236416969 819461996 /nfs/dbraw/zinc/46/19/96/819461996.db2.gz BITRTJOIQYOKQB-SMDDNHRTSA-N 2 2 286.341 3.325 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236435121 819478565 /nfs/dbraw/zinc/47/85/65/819478565.db2.gz SFFDJIUIWIKXPL-IBGZPJMESA-N 2 2 298.405 3.150 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236435121 819478570 /nfs/dbraw/zinc/47/85/70/819478570.db2.gz SFFDJIUIWIKXPL-IBGZPJMESA-N 2 2 298.405 3.150 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236467987 819488595 /nfs/dbraw/zinc/48/85/95/819488595.db2.gz BYWYYNISFZFOEE-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236467987 819488597 /nfs/dbraw/zinc/48/85/97/819488597.db2.gz BYWYYNISFZFOEE-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)[N@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236468472 819489460 /nfs/dbraw/zinc/48/94/60/819489460.db2.gz NWICLHCQSAYHFL-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)[N@@H+](Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001236468472 819489464 /nfs/dbraw/zinc/48/94/64/819489464.db2.gz NWICLHCQSAYHFL-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)[N@H+](Cc1ccc2ncsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236470220 819491195 /nfs/dbraw/zinc/49/11/95/819491195.db2.gz CCUPLCZXDXXROV-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2ncsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236470220 819491197 /nfs/dbraw/zinc/49/11/97/819491197.db2.gz CCUPLCZXDXXROV-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP CC(C)C[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236473510 819492960 /nfs/dbraw/zinc/49/29/60/819492960.db2.gz KDSCMMKIMYYJFG-GOSISDBHSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)C[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236473510 819492963 /nfs/dbraw/zinc/49/29/63/819492963.db2.gz KDSCMMKIMYYJFG-GOSISDBHSA-N 2 2 297.446 3.445 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001236526550 819517918 /nfs/dbraw/zinc/51/79/18/819517918.db2.gz CPQRDYAFIPZAGF-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001236526550 819517923 /nfs/dbraw/zinc/51/79/23/819517923.db2.gz CPQRDYAFIPZAGF-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1nc2cc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)ccc2s1 ZINC001236528881 819520090 /nfs/dbraw/zinc/52/00/90/819520090.db2.gz LDAIUYLROGVUJU-CQSZACIVSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2cc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)ccc2s1 ZINC001236528881 819520092 /nfs/dbraw/zinc/52/00/92/819520092.db2.gz LDAIUYLROGVUJU-CQSZACIVSA-N 2 2 289.448 3.177 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236531398 819524100 /nfs/dbraw/zinc/52/41/00/819524100.db2.gz YAYZNNNVJOOIAW-ZDUSSCGKSA-N 2 2 276.355 3.144 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236531398 819524106 /nfs/dbraw/zinc/52/41/06/819524106.db2.gz YAYZNNNVJOOIAW-ZDUSSCGKSA-N 2 2 276.355 3.144 20 0 CGADLP CC[N@H+](Cc1cccc2ccoc21)C1CC[NH+](C)CC1 ZINC001236733242 819583278 /nfs/dbraw/zinc/58/32/78/819583278.db2.gz SZYXLQRIHDALMI-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](Cc1cccc2ccoc21)C1CC[NH+](C)CC1 ZINC001236733242 819583281 /nfs/dbraw/zinc/58/32/81/819583281.db2.gz SZYXLQRIHDALMI-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC001236895044 819633087 /nfs/dbraw/zinc/63/30/87/819633087.db2.gz IKODZRKGFFWSAK-LBPRGKRZSA-N 2 2 268.360 3.365 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2oc3ccccc3c2c1 ZINC001236895044 819633091 /nfs/dbraw/zinc/63/30/91/819633091.db2.gz IKODZRKGFFWSAK-LBPRGKRZSA-N 2 2 268.360 3.365 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001237057393 819656959 /nfs/dbraw/zinc/65/69/59/819656959.db2.gz LXECJAWYZVNXCN-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001237057393 819656961 /nfs/dbraw/zinc/65/69/61/819656961.db2.gz LXECJAWYZVNXCN-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083131 819663645 /nfs/dbraw/zinc/66/36/45/819663645.db2.gz WBGVUQZRZHBTGE-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237083131 819663648 /nfs/dbraw/zinc/66/36/48/819663648.db2.gz WBGVUQZRZHBTGE-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155157 819681307 /nfs/dbraw/zinc/68/13/07/819681307.db2.gz OQRHYJXVFXGKAM-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155157 819681308 /nfs/dbraw/zinc/68/13/08/819681308.db2.gz OQRHYJXVFXGKAM-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(F)cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237156044 819682646 /nfs/dbraw/zinc/68/26/46/819682646.db2.gz NKQZXFTZJYCXRF-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237156044 819682648 /nfs/dbraw/zinc/68/26/48/819682648.db2.gz NKQZXFTZJYCXRF-KRWDZBQOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc(C)c1OC(C)C ZINC001237203676 819697734 /nfs/dbraw/zinc/69/77/34/819697734.db2.gz HEUHHAHJZDITQD-ZBFHGGJFSA-N 2 2 276.424 3.012 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc(C)c1OC(C)C ZINC001237203676 819697737 /nfs/dbraw/zinc/69/77/37/819697737.db2.gz HEUHHAHJZDITQD-ZBFHGGJFSA-N 2 2 276.424 3.012 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001237205180 819697962 /nfs/dbraw/zinc/69/79/62/819697962.db2.gz WOCBHVDPIPHPLH-DOMZBBRYSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2cccs2)cc1 ZINC001237205180 819697967 /nfs/dbraw/zinc/69/79/67/819697967.db2.gz WOCBHVDPIPHPLH-DOMZBBRYSA-N 2 2 272.417 3.337 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1C ZINC001237735783 819826444 /nfs/dbraw/zinc/82/64/44/819826444.db2.gz PYJGHPANGJJVTE-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1C ZINC001237735783 819826451 /nfs/dbraw/zinc/82/64/51/819826451.db2.gz PYJGHPANGJJVTE-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001238477685 820020101 /nfs/dbraw/zinc/02/01/01/820020101.db2.gz QKYCIHJJGMGWHP-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)n1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239078548 820214879 /nfs/dbraw/zinc/21/48/79/820214879.db2.gz RJZITODEQAAFBZ-KRWDZBQOSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239078548 820214888 /nfs/dbraw/zinc/21/48/88/820214888.db2.gz RJZITODEQAAFBZ-KRWDZBQOSA-N 2 2 283.419 3.269 20 0 CGADLP CCOc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239561348 820413629 /nfs/dbraw/zinc/41/36/29/820413629.db2.gz YYACWVHHONDFQT-INIZCTEOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239561348 820413630 /nfs/dbraw/zinc/41/36/30/820413630.db2.gz YYACWVHHONDFQT-INIZCTEOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239566319 820417502 /nfs/dbraw/zinc/41/75/02/820417502.db2.gz WITRKOJNSPBQBC-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239566319 820417505 /nfs/dbraw/zinc/41/75/05/820417505.db2.gz WITRKOJNSPBQBC-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CC[NH+](CC)Cc1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001240221975 820898281 /nfs/dbraw/zinc/89/82/81/820898281.db2.gz ROCOIKWSVJEFOH-UHFFFAOYSA-N 2 2 280.375 3.238 20 0 CGADLP c1cn2cc(-c3ccc(C[NH+]4CCCCC4)cn3)ccc2[nH+]1 ZINC001240222021 820898335 /nfs/dbraw/zinc/89/83/35/820898335.db2.gz UNSSWKHGSDXTGC-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4[nH]ccc43)cc2)C1 ZINC001240712470 821267901 /nfs/dbraw/zinc/26/79/01/821267901.db2.gz MTFCBRPGFFEZDG-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4[nH]ccc43)cc2)C1 ZINC001240712470 821267909 /nfs/dbraw/zinc/26/79/09/821267909.db2.gz MTFCBRPGFFEZDG-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1C ZINC001240865686 821380689 /nfs/dbraw/zinc/38/06/89/821380689.db2.gz RCYFZOSQRPGTHA-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1C ZINC001240865686 821380698 /nfs/dbraw/zinc/38/06/98/821380698.db2.gz RCYFZOSQRPGTHA-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CCOc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241116591 821571574 /nfs/dbraw/zinc/57/15/74/821571574.db2.gz PVBIGGPFCQMIMA-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241116591 821571576 /nfs/dbraw/zinc/57/15/76/821571576.db2.gz PVBIGGPFCQMIMA-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP CCc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]c1 ZINC001339630458 936380689 /nfs/dbraw/zinc/38/06/89/936380689.db2.gz YNTBFVTYIVLPQA-DOTOQJQBSA-N 2 2 285.435 3.097 20 0 CGADLP CCc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]c1 ZINC001339630458 936380694 /nfs/dbraw/zinc/38/06/94/936380694.db2.gz YNTBFVTYIVLPQA-DOTOQJQBSA-N 2 2 285.435 3.097 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001345470045 936811724 /nfs/dbraw/zinc/81/17/24/936811724.db2.gz NVOATGDGEGGYFQ-OLZOCXBDSA-N 2 2 270.779 3.229 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001474450020 937205020 /nfs/dbraw/zinc/20/50/20/937205020.db2.gz FDKHKLDTAQHBOV-QGZVFWFLSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)C1(C[NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001560929938 937238446 /nfs/dbraw/zinc/23/84/46/937238446.db2.gz MZGODKZZFSESPA-OAHLLOKOSA-N 2 2 252.446 3.133 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2SC)C1 ZINC001560945249 937239171 /nfs/dbraw/zinc/23/91/71/937239171.db2.gz UWQJJAYOUZSREU-ZBFHGGJFSA-N 2 2 292.492 3.413 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2SC)C1 ZINC001560945249 937239175 /nfs/dbraw/zinc/23/91/75/937239175.db2.gz UWQJJAYOUZSREU-ZBFHGGJFSA-N 2 2 292.492 3.413 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C)c(F)c1 ZINC001459875579 937504623 /nfs/dbraw/zinc/50/46/23/937504623.db2.gz FLDCYMXRPOCNEV-OAHLLOKOSA-N 2 2 261.344 3.072 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001461046337 937561779 /nfs/dbraw/zinc/56/17/79/937561779.db2.gz YSWZRQBHAKUXPX-IRXDYDNUSA-N 2 2 264.457 3.300 20 0 CGADLP C[NH+](C)Cc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC001461076406 937563005 /nfs/dbraw/zinc/56/30/05/937563005.db2.gz ZSRBYONOIKWJMH-UHFFFAOYSA-N 2 2 280.375 3.008 20 0 CGADLP Cc1cc(F)ncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001461122270 937565048 /nfs/dbraw/zinc/56/50/48/937565048.db2.gz XINUTWVJTHBBCS-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(OC2CCC([NH+](C)C)CC2)cc1 ZINC001231082785 932674607 /nfs/dbraw/zinc/67/46/07/932674607.db2.gz SNOYLVUCQOETBJ-UHFFFAOYSA-N 2 2 299.418 3.339 20 0 CGADLP c1c[nH+]c(-c2ccc(OC3CC[NH+](C4CC4)CC3)cc2)[nH]1 ZINC001231082142 932674795 /nfs/dbraw/zinc/67/47/95/932674795.db2.gz RZANNWFCSGQASN-UHFFFAOYSA-N 2 2 283.375 3.082 20 0 CGADLP C([NH2+]C1CCC2(CSC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001462186727 937623813 /nfs/dbraw/zinc/62/38/13/937623813.db2.gz BLUIOCBGCVEHMA-MRXNPFEDSA-N 2 2 294.508 3.269 20 0 CGADLP C([NH2+]C1CCC2(CSC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC001462186727 937623816 /nfs/dbraw/zinc/62/38/16/937623816.db2.gz BLUIOCBGCVEHMA-MRXNPFEDSA-N 2 2 294.508 3.269 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC001462331281 937633169 /nfs/dbraw/zinc/63/31/69/937633169.db2.gz ALWUQCRWKHHGHJ-KGLIPLIRSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC001462331281 937633171 /nfs/dbraw/zinc/63/31/71/937633171.db2.gz ALWUQCRWKHHGHJ-KGLIPLIRSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)CC(C)(C)C ZINC001308067335 933042834 /nfs/dbraw/zinc/04/28/34/933042834.db2.gz CFQDQVCWDDJZFL-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)CC(C)(C)C ZINC001308067335 933042838 /nfs/dbraw/zinc/04/28/38/933042838.db2.gz CFQDQVCWDDJZFL-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)CC(C)(C)C ZINC001308067335 933042841 /nfs/dbraw/zinc/04/28/41/933042841.db2.gz CFQDQVCWDDJZFL-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)CC(C)(C)C ZINC001308067335 933042846 /nfs/dbraw/zinc/04/28/46/933042846.db2.gz CFQDQVCWDDJZFL-SOUVJXGZSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001308233554 933077841 /nfs/dbraw/zinc/07/78/41/933077841.db2.gz DNPLJKAGJPUMOS-SJLPKXTDSA-N 2 2 299.418 3.166 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CCC[C@H]2C)cc1C ZINC001308292654 933089664 /nfs/dbraw/zinc/08/96/64/933089664.db2.gz KNQDYYZJWDOQOG-MRXNPFEDSA-N 2 2 260.425 3.186 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001308292654 933089666 /nfs/dbraw/zinc/08/96/66/933089666.db2.gz KNQDYYZJWDOQOG-MRXNPFEDSA-N 2 2 260.425 3.186 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001308484176 933117602 /nfs/dbraw/zinc/11/76/02/933117602.db2.gz MRKKTYVCAAKIEL-FVQBIDKESA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001308484176 933117609 /nfs/dbraw/zinc/11/76/09/933117609.db2.gz MRKKTYVCAAKIEL-FVQBIDKESA-N 2 2 264.457 3.418 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@H]1OC ZINC001308815788 933183166 /nfs/dbraw/zinc/18/31/66/933183166.db2.gz PXOPYMJJIAGWMC-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@H]1OC ZINC001308815788 933183170 /nfs/dbraw/zinc/18/31/70/933183170.db2.gz PXOPYMJJIAGWMC-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CSC3)CC2)C1 ZINC001308856713 933191477 /nfs/dbraw/zinc/19/14/77/933191477.db2.gz APOYDBWXQSPJFV-AWEZNQCLSA-N 2 2 282.497 3.125 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CSC3)CC2)C1 ZINC001308856713 933191479 /nfs/dbraw/zinc/19/14/79/933191479.db2.gz APOYDBWXQSPJFV-AWEZNQCLSA-N 2 2 282.497 3.125 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001308974495 933217494 /nfs/dbraw/zinc/21/74/94/933217494.db2.gz IMWAXUUVNKKJII-MRXNPFEDSA-N 2 2 286.463 3.113 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001308974495 933217498 /nfs/dbraw/zinc/21/74/98/933217498.db2.gz IMWAXUUVNKKJII-MRXNPFEDSA-N 2 2 286.463 3.113 20 0 CGADLP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]c2ccccc12 ZINC001320737676 934096486 /nfs/dbraw/zinc/09/64/86/934096486.db2.gz YJCXTXBIKOJNEX-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]c2ccccc12 ZINC001320737676 934096497 /nfs/dbraw/zinc/09/64/97/934096497.db2.gz YJCXTXBIKOJNEX-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccn2C2CC2)CC1 ZINC001326425707 934979136 /nfs/dbraw/zinc/97/91/36/934979136.db2.gz HZTBCFAJHFZGBB-UHFFFAOYSA-N 2 2 275.440 3.129 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccn2C2CC2)CC1 ZINC001326425707 934979140 /nfs/dbraw/zinc/97/91/40/934979140.db2.gz HZTBCFAJHFZGBB-UHFFFAOYSA-N 2 2 275.440 3.129 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC001332691597 935482264 /nfs/dbraw/zinc/48/22/64/935482264.db2.gz NTJUYDAXSUCCQE-ZPOXIUPMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2cccc(F)c2)CC[N@H+]1C ZINC001332691597 935482269 /nfs/dbraw/zinc/48/22/69/935482269.db2.gz NTJUYDAXSUCCQE-ZPOXIUPMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2cccc(F)c2)CC[NH+]1C ZINC001332691597 935482271 /nfs/dbraw/zinc/48/22/71/935482271.db2.gz NTJUYDAXSUCCQE-ZPOXIUPMSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2cccc(F)c2)CC[NH+]1C ZINC001332691597 935482273 /nfs/dbraw/zinc/48/22/73/935482273.db2.gz NTJUYDAXSUCCQE-ZPOXIUPMSA-N 2 2 276.399 3.253 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001334873487 936119935 /nfs/dbraw/zinc/11/99/35/936119935.db2.gz UGBMAQQORUVNIX-GFCCVEGCSA-N 2 2 289.345 3.017 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001334873487 936119936 /nfs/dbraw/zinc/11/99/36/936119936.db2.gz UGBMAQQORUVNIX-GFCCVEGCSA-N 2 2 289.345 3.017 20 0 CGADLP CCSc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473788982 937822338 /nfs/dbraw/zinc/82/23/38/937822338.db2.gz WDDJFTABGMELKH-JKSUJKDBSA-N 2 2 290.476 3.467 20 0 CGADLP CCSc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001473788982 937822340 /nfs/dbraw/zinc/82/23/40/937822340.db2.gz WDDJFTABGMELKH-JKSUJKDBSA-N 2 2 290.476 3.467 20 0 CGADLP CCSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001473788982 937822342 /nfs/dbraw/zinc/82/23/42/937822342.db2.gz WDDJFTABGMELKH-JKSUJKDBSA-N 2 2 290.476 3.467 20 0 CGADLP CCSc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001473788982 937822343 /nfs/dbraw/zinc/82/23/43/937822343.db2.gz WDDJFTABGMELKH-JKSUJKDBSA-N 2 2 290.476 3.467 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001473996947 937834641 /nfs/dbraw/zinc/83/46/41/937834641.db2.gz GMVRWKNDVNDOFZ-INMHGKMJSA-N 2 2 290.451 3.273 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC001474479034 937862572 /nfs/dbraw/zinc/86/25/72/937862572.db2.gz LZPCGGBSOZPUKB-GOSISDBHSA-N 2 2 286.463 3.256 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC001474479034 937862574 /nfs/dbraw/zinc/86/25/74/937862574.db2.gz LZPCGGBSOZPUKB-GOSISDBHSA-N 2 2 286.463 3.256 20 0 CGADLP COC1(C[NH2+][C@H](C)C[NH+]2CCC(C)CC2)CCCCCC1 ZINC001474625463 937871357 /nfs/dbraw/zinc/87/13/57/937871357.db2.gz BHSIJJJIEWFJIF-QGZVFWFLSA-N 2 2 296.499 3.436 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001550244041 938164771 /nfs/dbraw/zinc/16/47/71/938164771.db2.gz QPLGQGKHZIXXBP-WJFTUGDTSA-N 2 2 296.389 3.108 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001550244041 938164772 /nfs/dbraw/zinc/16/47/72/938164772.db2.gz QPLGQGKHZIXXBP-WJFTUGDTSA-N 2 2 296.389 3.108 20 0 CGADLP C[NH2+]C1(CNc2cc(C)[nH+]c(C3CCC3)n2)CCCCC1 ZINC001559266146 938224011 /nfs/dbraw/zinc/22/40/11/938224011.db2.gz QHNYILYKVKUPFY-UHFFFAOYSA-N 2 2 288.439 3.387 20 0 CGADLP C=C/C=C\CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560099042 938243897 /nfs/dbraw/zinc/24/38/97/938243897.db2.gz ZQJZWZPQWMFYJV-LIMHQNJXSA-N 2 2 267.376 3.346 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC001560262802 938249880 /nfs/dbraw/zinc/24/98/80/938249880.db2.gz PFSRCXKHSJTISX-FUTAKVPZSA-N 2 2 283.419 3.500 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC001560326602 938253182 /nfs/dbraw/zinc/25/31/82/938253182.db2.gz FVLXVCXVXQABOB-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC001560326602 938253184 /nfs/dbraw/zinc/25/31/84/938253184.db2.gz FVLXVCXVXQABOB-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001560364778 938255501 /nfs/dbraw/zinc/25/55/01/938255501.db2.gz WQSFPMMDFXQMBW-UHFFFAOYSA-N 2 2 275.421 3.460 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nc1 ZINC001560428776 938257840 /nfs/dbraw/zinc/25/78/40/938257840.db2.gz DRELZIJAVVQSSH-UHFFFAOYSA-N 2 2 287.451 3.134 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC001560531158 938261828 /nfs/dbraw/zinc/26/18/28/938261828.db2.gz VUNKOPSGYZIUPS-YERXGYGTSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC001560531158 938261830 /nfs/dbraw/zinc/26/18/30/938261830.db2.gz VUNKOPSGYZIUPS-YERXGYGTSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001560962081 938286712 /nfs/dbraw/zinc/28/67/12/938286712.db2.gz ZFYLNENBIGUBSY-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001560962081 938286714 /nfs/dbraw/zinc/28/67/14/938286714.db2.gz ZFYLNENBIGUBSY-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP CC1(C)CC[C@H](C[NH2+]Cc2cc3ccncc3s2)[NH2+]C1 ZINC001576421089 962459693 /nfs/dbraw/zinc/45/96/93/962459693.db2.gz FPUUBPUDKAZPRI-CYBMUJFWSA-N 2 2 289.448 3.164 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C[C@@H](C)C1 ZINC001576590136 962476094 /nfs/dbraw/zinc/47/60/94/962476094.db2.gz YZUFVCGZSUTBES-BIVLZKPYSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C[C@@H](C)C1 ZINC001576590136 962476100 /nfs/dbraw/zinc/47/61/00/962476100.db2.gz YZUFVCGZSUTBES-BIVLZKPYSA-N 2 2 264.457 3.275 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCCC[NH2+]2)c(F)c1 ZINC001580030733 962690499 /nfs/dbraw/zinc/69/04/99/962690499.db2.gz PEAOHFGSQKFRDJ-MBVDDHJVSA-N 2 2 280.362 3.100 20 0 CGADLP c1ccc(-c2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC001580891723 962742336 /nfs/dbraw/zinc/74/23/36/962742336.db2.gz FQXKMVGTNLKQEW-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337418365 214070773 /nfs/dbraw/zinc/07/07/73/214070773.db2.gz DVDWMCHFNIXTSG-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC12CCC2 ZINC000337418365 214070774 /nfs/dbraw/zinc/07/07/74/214070774.db2.gz DVDWMCHFNIXTSG-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@@H+](CCC3CC3)C2)n2c1CCCC2 ZINC000337428982 214077605 /nfs/dbraw/zinc/07/76/05/214077605.db2.gz DITQZXBQHKVVFY-HNNXBMFYSA-N 2 2 273.424 3.199 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@H+](CCC3CC3)C2)n2c1CCCC2 ZINC000337428982 214077608 /nfs/dbraw/zinc/07/76/08/214077608.db2.gz DITQZXBQHKVVFY-HNNXBMFYSA-N 2 2 273.424 3.199 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621377765 349513153 /nfs/dbraw/zinc/51/31/53/349513153.db2.gz FVCBBNIAMCFJFZ-BMFZPTHFSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621377765 349513159 /nfs/dbraw/zinc/51/31/59/349513159.db2.gz FVCBBNIAMCFJFZ-BMFZPTHFSA-N 2 2 294.389 3.142 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000294967429 199274034 /nfs/dbraw/zinc/27/40/34/199274034.db2.gz JQSKSVPKDYMTGJ-XJKSGUPXSA-N 2 2 287.407 3.072 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)c[nH+]1 ZINC000651630707 398259648 /nfs/dbraw/zinc/25/96/48/398259648.db2.gz MDHQSSZICNWMSU-KRWDZBQOSA-N 2 2 281.403 3.209 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)c[nH+]1 ZINC000651630707 398259649 /nfs/dbraw/zinc/25/96/49/398259649.db2.gz MDHQSSZICNWMSU-KRWDZBQOSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(-c2ccccc2)cn1 ZINC000651666881 398265072 /nfs/dbraw/zinc/26/50/72/398265072.db2.gz QYFONDFOQCGDDN-HNNXBMFYSA-N 2 2 283.419 3.351 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780434 349585022 /nfs/dbraw/zinc/58/50/22/349585022.db2.gz RMXWMAUXRLOTKO-KGLIPLIRSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780434 349585025 /nfs/dbraw/zinc/58/50/25/349585025.db2.gz RMXWMAUXRLOTKO-KGLIPLIRSA-N 2 2 284.325 3.019 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c[nH+]1 ZINC000652063502 398322120 /nfs/dbraw/zinc/32/21/20/398322120.db2.gz NTYAEVDBJURVAV-CQSZACIVSA-N 2 2 266.335 3.054 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@]3(CC3(F)F)C2)c[nH+]1 ZINC000652063502 398322123 /nfs/dbraw/zinc/32/21/23/398322123.db2.gz NTYAEVDBJURVAV-CQSZACIVSA-N 2 2 266.335 3.054 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423483414 529453093 /nfs/dbraw/zinc/45/30/93/529453093.db2.gz XTJCGUWBOMNPSW-AAEUAGOBSA-N 2 2 275.421 3.198 20 0 CGADLP C[NH+](C)CCc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000125790863 187200114 /nfs/dbraw/zinc/20/01/14/187200114.db2.gz UAKWAPLEWIMTHB-UHFFFAOYSA-N 2 2 294.402 3.051 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423274106 529501310 /nfs/dbraw/zinc/50/13/10/529501310.db2.gz JVYSMOJQUAQBIA-XHDPSFHLSA-N 2 2 272.392 3.383 20 0 CGADLP CC[C@@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(C)cs1 ZINC000089615735 529506424 /nfs/dbraw/zinc/50/64/24/529506424.db2.gz TXXKEQWNYGGODN-DZGCQCFKSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(C)cs1 ZINC000089615735 529506427 /nfs/dbraw/zinc/50/64/27/529506427.db2.gz TXXKEQWNYGGODN-DZGCQCFKSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1Br ZINC000423287014 529589852 /nfs/dbraw/zinc/58/98/52/529589852.db2.gz JWIVQYFJHUZRPF-LBPRGKRZSA-N 2 2 285.229 3.227 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1Br ZINC000423326993 529591917 /nfs/dbraw/zinc/59/19/17/529591917.db2.gz MQSYJCXIUGBTBV-ZDUSSCGKSA-N 2 2 297.240 3.371 20 0 CGADLP CCc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623088252 349757515 /nfs/dbraw/zinc/75/75/15/349757515.db2.gz BYFLTSKUVXZIPS-UHFFFAOYSA-N 2 2 296.405 3.316 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354823373 282208690 /nfs/dbraw/zinc/20/86/90/282208690.db2.gz AOGVEPBTEMQAHL-CHWSQXEVSA-N 2 2 287.382 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354823373 282208691 /nfs/dbraw/zinc/20/86/91/282208691.db2.gz AOGVEPBTEMQAHL-CHWSQXEVSA-N 2 2 287.382 3.338 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CCC1CC1 ZINC000415061499 529612152 /nfs/dbraw/zinc/61/21/52/529612152.db2.gz CUSMUCLWFSBWJY-DYVFJYSZSA-N 2 2 260.425 3.417 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623358469 349788425 /nfs/dbraw/zinc/78/84/25/349788425.db2.gz BJHVKTGBEHCKBY-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)[C@@H]1C[C@H]1C ZINC000414159933 529668839 /nfs/dbraw/zinc/66/88/39/529668839.db2.gz YWVPFSSCHKBCQP-NKGKWGDASA-N 2 2 290.451 3.322 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000591708620 346933963 /nfs/dbraw/zinc/93/39/63/346933963.db2.gz FVQPSJFHFUGAOT-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000591708620 346933966 /nfs/dbraw/zinc/93/39/66/346933966.db2.gz FVQPSJFHFUGAOT-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867357 346942828 /nfs/dbraw/zinc/94/28/28/346942828.db2.gz PKDBCWGXKVUHJG-HOCLYGCPSA-N 2 2 255.365 3.281 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867357 346942832 /nfs/dbraw/zinc/94/28/32/346942832.db2.gz PKDBCWGXKVUHJG-HOCLYGCPSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1cccc(NCc2cc[nH+]c(N3CCCCC3)c2)[nH+]1 ZINC000127778488 136386737 /nfs/dbraw/zinc/38/67/37/136386737.db2.gz PHQOVGJUQBPCRP-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000295000947 199293448 /nfs/dbraw/zinc/29/34/48/199293448.db2.gz RNEVOXOWLDJLTH-RDTXWAMCSA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000295000947 199293449 /nfs/dbraw/zinc/29/34/49/199293449.db2.gz RNEVOXOWLDJLTH-RDTXWAMCSA-N 2 2 297.402 3.169 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368099945 529722129 /nfs/dbraw/zinc/72/21/29/529722129.db2.gz GVCAVMSBYNWJPG-WDEREUQCSA-N 2 2 275.421 3.242 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368099945 529722131 /nfs/dbraw/zinc/72/21/31/529722131.db2.gz GVCAVMSBYNWJPG-WDEREUQCSA-N 2 2 275.421 3.242 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000364453399 529722614 /nfs/dbraw/zinc/72/26/14/529722614.db2.gz ZYZDMKARVSWDFM-IHRRRGAJSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000364453399 529722616 /nfs/dbraw/zinc/72/26/16/529722616.db2.gz ZYZDMKARVSWDFM-IHRRRGAJSA-N 2 2 262.397 3.119 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CS1 ZINC000623614918 349849760 /nfs/dbraw/zinc/84/97/60/349849760.db2.gz GAWOMEVGVAWFGN-YCPHGPKFSA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CS1 ZINC000623614918 349849761 /nfs/dbraw/zinc/84/97/61/349849761.db2.gz GAWOMEVGVAWFGN-YCPHGPKFSA-N 2 2 282.497 3.267 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623624076 349851130 /nfs/dbraw/zinc/85/11/30/349851130.db2.gz RAWWPTJMLGXAMR-MRXNPFEDSA-N 2 2 283.419 3.330 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(OC(F)F)cc1C ZINC000623634672 349852606 /nfs/dbraw/zinc/85/26/06/349852606.db2.gz QSOPSRLRQLUCIA-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128086020 187349701 /nfs/dbraw/zinc/34/97/01/187349701.db2.gz GTMYUZBZTDZDKP-NTZNESFSSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128086020 187349702 /nfs/dbraw/zinc/34/97/02/187349702.db2.gz GTMYUZBZTDZDKP-NTZNESFSSA-N 2 2 280.362 3.241 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(C)s1 ZINC000623728601 349871876 /nfs/dbraw/zinc/87/18/76/349871876.db2.gz SHHJYDZNRDRJQP-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(C)s1 ZINC000623728601 349871881 /nfs/dbraw/zinc/87/18/81/349871881.db2.gz SHHJYDZNRDRJQP-INIZCTEOSA-N 2 2 278.465 3.471 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)nc1 ZINC000623825891 349891172 /nfs/dbraw/zinc/89/11/72/349891172.db2.gz NCXONGCNMFEVBQ-INIZCTEOSA-N 2 2 299.462 3.216 20 0 CGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000623859677 349898566 /nfs/dbraw/zinc/89/85/66/349898566.db2.gz WQEUYUUELUUPGT-ZDUSSCGKSA-N 2 2 298.415 3.001 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCc2scnc21)C[NH+]1CCCCC1 ZINC000623867915 349900219 /nfs/dbraw/zinc/90/02/19/349900219.db2.gz NUVFHGDRYABRIU-ZIAGYGMSSA-N 2 2 293.480 3.232 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CCCCO1 ZINC000623874296 349901743 /nfs/dbraw/zinc/90/17/43/349901743.db2.gz FHTGAEKURACBMU-XJKSGUPXSA-N 2 2 287.407 3.043 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000359876452 529977444 /nfs/dbraw/zinc/97/74/44/529977444.db2.gz LNRDBHZBKVTIDI-OAHLLOKOSA-N 2 2 289.810 3.057 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000359876452 529977446 /nfs/dbraw/zinc/97/74/46/529977446.db2.gz LNRDBHZBKVTIDI-OAHLLOKOSA-N 2 2 289.810 3.057 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423227253 529978676 /nfs/dbraw/zinc/97/86/76/529978676.db2.gz VBKMNIUMTSVGHC-HNNXBMFYSA-N 2 2 284.403 3.136 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423400382 530041321 /nfs/dbraw/zinc/04/13/21/530041321.db2.gz VEFNPSRPIBNRAT-XHDPSFHLSA-N 2 2 266.816 3.379 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623928053 349919188 /nfs/dbraw/zinc/91/91/88/349919188.db2.gz BYCAPBQBSOIXAE-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623928053 349919191 /nfs/dbraw/zinc/91/91/91/349919191.db2.gz BYCAPBQBSOIXAE-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040671640 344965303 /nfs/dbraw/zinc/96/53/03/344965303.db2.gz QGLCLQKODHTVEA-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040671640 344965307 /nfs/dbraw/zinc/96/53/07/344965307.db2.gz QGLCLQKODHTVEA-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccco1 ZINC000037167299 344948062 /nfs/dbraw/zinc/94/80/62/344948062.db2.gz RUCZBBPVHGUGBN-CABCVRRESA-N 2 2 266.429 3.167 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353177 345009479 /nfs/dbraw/zinc/00/94/79/345009479.db2.gz MELZKCNUYPFWND-ZFWWWQNUSA-N 2 2 273.380 3.170 20 0 CGADLP Clc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250264 345317723 /nfs/dbraw/zinc/31/77/23/345317723.db2.gz MGETVMWWHRQHJS-UHFFFAOYSA-N 2 2 287.750 3.409 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000623959181 349927672 /nfs/dbraw/zinc/92/76/72/349927672.db2.gz JBOFWRWHJGFVJL-ZIAGYGMSSA-N 2 2 281.469 3.367 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(Cl)cc1)C1CC1 ZINC000223063321 260262927 /nfs/dbraw/zinc/26/29/27/260262927.db2.gz AKINJPNFFOKDRW-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(Cl)cc1)C1CC1 ZINC000223063321 260262929 /nfs/dbraw/zinc/26/29/29/260262929.db2.gz AKINJPNFFOKDRW-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2ccncc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000085656990 345746559 /nfs/dbraw/zinc/74/65/59/345746559.db2.gz LUCDRDGMTQYUTM-KGLIPLIRSA-N 2 2 284.407 3.162 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2ccncc12)[N@H+]1CCC[C@@H](C)C1 ZINC000085656990 345746565 /nfs/dbraw/zinc/74/65/65/345746565.db2.gz LUCDRDGMTQYUTM-KGLIPLIRSA-N 2 2 284.407 3.162 20 0 CGADLP C[NH+](C)C1(CNc2cc[nH+]c3ccncc23)CCCCC1 ZINC000085652643 345747054 /nfs/dbraw/zinc/74/70/54/345747054.db2.gz YSJZSXMATONMRE-UHFFFAOYSA-N 2 2 284.407 3.306 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907532 345751540 /nfs/dbraw/zinc/75/15/40/345751540.db2.gz DQAJHNJHIHVSHC-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907532 345751543 /nfs/dbraw/zinc/75/15/43/345751543.db2.gz DQAJHNJHIHVSHC-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CCC[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091457400 345814754 /nfs/dbraw/zinc/81/47/54/345814754.db2.gz RYPQFIQCPVJHAP-NSHDSACASA-N 2 2 287.329 3.244 20 0 CGADLP CCC[N@H+]1CC[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091457400 345814756 /nfs/dbraw/zinc/81/47/56/345814756.db2.gz RYPQFIQCPVJHAP-NSHDSACASA-N 2 2 287.329 3.244 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(C)c1 ZINC000090046582 345778763 /nfs/dbraw/zinc/77/87/63/345778763.db2.gz SCRSRMJLQPDGSE-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1C ZINC000090047495 345779220 /nfs/dbraw/zinc/77/92/20/345779220.db2.gz KSYFWLZVWWXNPW-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1C ZINC000090048269 345779486 /nfs/dbraw/zinc/77/94/86/345779486.db2.gz FEBRVYBHQIRGTK-NVXWUHKLSA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090116997 345783968 /nfs/dbraw/zinc/78/39/68/345783968.db2.gz NHMUCWALBZAAKJ-HZPDHXFCSA-N 2 2 289.467 3.460 20 0 CGADLP CS[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193381 345785405 /nfs/dbraw/zinc/78/54/05/345785405.db2.gz LTFHOIQZACVIAQ-GDBMZVCRSA-N 2 2 292.492 3.381 20 0 CGADLP CS[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193381 345785406 /nfs/dbraw/zinc/78/54/06/345785406.db2.gz LTFHOIQZACVIAQ-GDBMZVCRSA-N 2 2 292.492 3.381 20 0 CGADLP CCCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000090402520 345786956 /nfs/dbraw/zinc/78/69/56/345786956.db2.gz MITUENQODRUZDF-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090846988 345796199 /nfs/dbraw/zinc/79/61/99/345796199.db2.gz YJYJIAHEBFFKHS-ZDUSSCGKSA-N 2 2 288.366 3.431 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073821 345830997 /nfs/dbraw/zinc/83/09/97/345830997.db2.gz FRSVBEYYYXIJFQ-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073821 345831000 /nfs/dbraw/zinc/83/10/00/345831000.db2.gz FRSVBEYYYXIJFQ-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000093604555 345883649 /nfs/dbraw/zinc/88/36/49/345883649.db2.gz JDOVEFUIKJVKLT-INIZCTEOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000093604555 345883655 /nfs/dbraw/zinc/88/36/55/345883655.db2.gz JDOVEFUIKJVKLT-INIZCTEOSA-N 2 2 276.399 3.052 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093770011 345886596 /nfs/dbraw/zinc/88/65/96/345886596.db2.gz HSYQKYOFEQAPRJ-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093770011 345886600 /nfs/dbraw/zinc/88/66/00/345886600.db2.gz HSYQKYOFEQAPRJ-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093770011 345886605 /nfs/dbraw/zinc/88/66/05/345886605.db2.gz HSYQKYOFEQAPRJ-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093770011 345886608 /nfs/dbraw/zinc/88/66/08/345886608.db2.gz HSYQKYOFEQAPRJ-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP Cc1cccc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)[nH+]1 ZINC000127522746 187312677 /nfs/dbraw/zinc/31/26/77/187312677.db2.gz ODPLJPULFZNKQZ-HNNXBMFYSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2c(C)oc3ccccc32)n1C ZINC000584793988 346714819 /nfs/dbraw/zinc/71/48/19/346714819.db2.gz YLRLKINVSQAREH-UHFFFAOYSA-N 2 2 283.375 3.115 20 0 CGADLP Cc1cc(C)cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000342819535 136702543 /nfs/dbraw/zinc/70/25/43/136702543.db2.gz BVOJRPVVYLGVQT-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CCSC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000594983707 347248621 /nfs/dbraw/zinc/24/86/21/347248621.db2.gz CJCCVUQSMKSLRF-UHFFFAOYSA-N 2 2 287.432 3.248 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847537 219223045 /nfs/dbraw/zinc/22/30/45/219223045.db2.gz AGHASZVLJFEGOR-JSGCOSHPSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847537 219223047 /nfs/dbraw/zinc/22/30/47/219223047.db2.gz AGHASZVLJFEGOR-JSGCOSHPSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000599207412 347727104 /nfs/dbraw/zinc/72/71/04/347727104.db2.gz QDQAILULDUNCTO-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP COc1ccc(F)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000339347526 215110739 /nfs/dbraw/zinc/11/07/39/215110739.db2.gz QGSFVEYVTQHHLG-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCSc3ccccc3)C2)c[nH+]1 ZINC000605150763 348148767 /nfs/dbraw/zinc/14/87/67/348148767.db2.gz ZGQAYZRMJAZGFN-HNNXBMFYSA-N 2 2 287.432 3.312 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCSc3ccccc3)C2)c[nH+]1 ZINC000605150763 348148770 /nfs/dbraw/zinc/14/87/70/348148770.db2.gz ZGQAYZRMJAZGFN-HNNXBMFYSA-N 2 2 287.432 3.312 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128798509 187390507 /nfs/dbraw/zinc/39/05/07/187390507.db2.gz GEUUKRDUWMKYQY-KRWDZBQOSA-N 2 2 298.434 3.353 20 0 CGADLP C[NH+](C)Cc1cnc(CNc2cccc(C3CC3)[nH+]2)s1 ZINC000339428089 215161562 /nfs/dbraw/zinc/16/15/62/215161562.db2.gz JFQNHVANKYCOOE-UHFFFAOYSA-N 2 2 288.420 3.089 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000607731363 348259022 /nfs/dbraw/zinc/25/90/22/348259022.db2.gz QUKYGRZOGLXRSM-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000607731363 348259023 /nfs/dbraw/zinc/25/90/23/348259023.db2.gz QUKYGRZOGLXRSM-KRWDZBQOSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccnc2C)n1-c1ccccc1 ZINC000608142016 348289158 /nfs/dbraw/zinc/28/91/58/348289158.db2.gz AMGUWZXFHQUODS-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000339471279 215195395 /nfs/dbraw/zinc/19/53/95/215195395.db2.gz XJVIYPRCOIURTI-ABXWRUBCSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000339471279 215195396 /nfs/dbraw/zinc/19/53/96/215195396.db2.gz XJVIYPRCOIURTI-ABXWRUBCSA-N 2 2 250.430 3.026 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188345 349996289 /nfs/dbraw/zinc/99/62/89/349996289.db2.gz FUDNIQBJLBKGDY-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188345 349996292 /nfs/dbraw/zinc/99/62/92/349996292.db2.gz FUDNIQBJLBKGDY-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]2C[C@H]2C1 ZINC000624199635 350000397 /nfs/dbraw/zinc/00/03/97/350000397.db2.gz UQVVYRVBVPWVNM-HWWDLCQESA-N 2 2 285.435 3.076 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCO[C@@H]2C)c(C)c1 ZINC000358347727 233112084 /nfs/dbraw/zinc/11/20/84/233112084.db2.gz FWXHPUCHCSVUKS-NJAFHUGGSA-N 2 2 299.418 3.008 20 0 CGADLP CC1(C)CCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000339574313 215249210 /nfs/dbraw/zinc/24/92/10/215249210.db2.gz HOAJZKONFSFTNS-CYBMUJFWSA-N 2 2 257.381 3.250 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3cncc(F)c3)c[nH+]c12 ZINC000358990894 233234069 /nfs/dbraw/zinc/23/40/69/233234069.db2.gz BVABSOVMAVQEKB-LBPRGKRZSA-N 2 2 284.338 3.028 20 0 CGADLP CCc1ccc(C2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000626086925 350258007 /nfs/dbraw/zinc/25/80/07/350258007.db2.gz WDZGIVGBHCDURI-UHFFFAOYSA-N 2 2 297.446 3.405 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2[nH]1 ZINC000628162344 350418136 /nfs/dbraw/zinc/41/81/36/350418136.db2.gz MQBHFSORWCOOEM-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2[nH]1 ZINC000628162344 350418138 /nfs/dbraw/zinc/41/81/38/350418138.db2.gz MQBHFSORWCOOEM-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP Cc1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628163648 350418249 /nfs/dbraw/zinc/41/82/49/350418249.db2.gz MLEXKHLRVKNYGQ-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628163648 350418251 /nfs/dbraw/zinc/41/82/51/350418251.db2.gz MLEXKHLRVKNYGQ-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n21 ZINC000628422646 350533451 /nfs/dbraw/zinc/53/34/51/350533451.db2.gz FDXXBXKQEBMQMO-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)n21 ZINC000628422646 350533456 /nfs/dbraw/zinc/53/34/56/350533456.db2.gz FDXXBXKQEBMQMO-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C2CC2)c1 ZINC000629535797 350704639 /nfs/dbraw/zinc/70/46/39/350704639.db2.gz DETLYFXMWWKFKF-IGCXYCKISA-N 2 2 258.409 3.355 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1F ZINC000629536982 350705811 /nfs/dbraw/zinc/70/58/11/350705811.db2.gz KAZQNUCJOSWZHT-WBIUFABUSA-N 2 2 268.351 3.146 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccoc1 ZINC000629543523 350708621 /nfs/dbraw/zinc/70/86/21/350708621.db2.gz BBWXJKKEZGOZQA-CFVMTHIKSA-N 2 2 250.386 3.097 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629545009 350709214 /nfs/dbraw/zinc/70/92/14/350709214.db2.gz OZTCYEWCZGBFMU-GLQYFDAESA-N 2 2 266.816 3.377 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c2ccccc21 ZINC000629544748 350709422 /nfs/dbraw/zinc/70/94/22/350709422.db2.gz JDXXHTBXEITJTC-NVGCLXPQSA-N 2 2 272.367 3.380 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629544255 350709472 /nfs/dbraw/zinc/70/94/72/350709472.db2.gz IJOACZXWTKMCTB-FDQGKXFDSA-N 2 2 288.435 3.267 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629543979 350709631 /nfs/dbraw/zinc/70/96/31/350709631.db2.gz HTINPUICHYMMQJ-KKBVYLPWSA-N 2 2 258.409 3.211 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCCO2 ZINC000629546710 350710334 /nfs/dbraw/zinc/71/03/34/350710334.db2.gz XDVNOXDIWDNDGO-IAOVAPTHSA-N 2 2 288.435 3.364 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CC[C@@H](C)[NH2+]C3)oc2cc1C ZINC000629410087 350690225 /nfs/dbraw/zinc/69/02/25/350690225.db2.gz FBVRHMVKCADFFK-HIFRSBDPSA-N 2 2 272.392 3.280 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629415432 350690799 /nfs/dbraw/zinc/69/07/99/350690799.db2.gz QHGWORPQTLIPRR-HOCLYGCPSA-N 2 2 276.424 3.096 20 0 CGADLP [NH3+]C/C=C/c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710947 350749498 /nfs/dbraw/zinc/74/94/98/350749498.db2.gz ZISCHOYMSVAWEJ-ONEGZZNKSA-N 2 2 279.387 3.321 20 0 CGADLP C[C@@H]([NH3+])c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710911 350749630 /nfs/dbraw/zinc/74/96/30/350749630.db2.gz YKUSOYWBFAUPCX-CYBMUJFWSA-N 2 2 267.376 3.369 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000271405098 191120110 /nfs/dbraw/zinc/12/01/10/191120110.db2.gz MFNOOEXOSRTCDU-GOEBONIOSA-N 2 2 287.407 3.330 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000629655553 350731286 /nfs/dbraw/zinc/73/12/86/350731286.db2.gz ZJMNXNORCOUXSA-LSDHHAIUSA-N 2 2 264.438 3.029 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000629653290 350731612 /nfs/dbraw/zinc/73/16/12/350731612.db2.gz KACCCFXJTKTIMP-UONOGXRCSA-N 2 2 286.341 3.244 20 0 CGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631135975 350965628 /nfs/dbraw/zinc/96/56/28/350965628.db2.gz PYYIKXVJNSWVEL-OAHLLOKOSA-N 2 2 283.419 3.403 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631135975 350965630 /nfs/dbraw/zinc/96/56/30/350965630.db2.gz PYYIKXVJNSWVEL-OAHLLOKOSA-N 2 2 283.419 3.403 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352240132 219379880 /nfs/dbraw/zinc/37/98/80/219379880.db2.gz DHPSKUFVYFRQLK-MFBWXBCUSA-N 2 2 280.362 3.052 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352240132 219379881 /nfs/dbraw/zinc/37/98/81/219379881.db2.gz DHPSKUFVYFRQLK-MFBWXBCUSA-N 2 2 280.362 3.052 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123544429 187097739 /nfs/dbraw/zinc/09/77/39/187097739.db2.gz RDYNBNYULCERAW-KGLIPLIRSA-N 2 2 272.417 3.228 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123544429 187097740 /nfs/dbraw/zinc/09/77/40/187097740.db2.gz RDYNBNYULCERAW-KGLIPLIRSA-N 2 2 272.417 3.228 20 0 CGADLP CCC[N@H+](Cc1c(C)oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000123578930 187099527 /nfs/dbraw/zinc/09/95/27/187099527.db2.gz JSOKQTBWQLUCHA-CQSZACIVSA-N 2 2 272.392 3.315 20 0 CGADLP CCC[N@@H+](Cc1c(C)oc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000123578930 187099528 /nfs/dbraw/zinc/09/95/28/187099528.db2.gz JSOKQTBWQLUCHA-CQSZACIVSA-N 2 2 272.392 3.315 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000123868123 187112095 /nfs/dbraw/zinc/11/20/95/187112095.db2.gz AWHVNMJYYHYUNM-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@H+]1C ZINC000123868123 187112096 /nfs/dbraw/zinc/11/20/96/187112096.db2.gz AWHVNMJYYHYUNM-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123868123 187112097 /nfs/dbraw/zinc/11/20/97/187112097.db2.gz AWHVNMJYYHYUNM-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123868123 187112098 /nfs/dbraw/zinc/11/20/98/187112098.db2.gz AWHVNMJYYHYUNM-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP CC[C@@H](C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271532044 191196622 /nfs/dbraw/zinc/19/66/22/191196622.db2.gz CCGIJGBOOPCWOA-CQSZACIVSA-N 2 2 257.381 3.067 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000365089232 234082984 /nfs/dbraw/zinc/08/29/84/234082984.db2.gz PJXGUQDFJQWPRM-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000365089232 234082986 /nfs/dbraw/zinc/08/29/86/234082986.db2.gz PJXGUQDFJQWPRM-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000271551784 191206904 /nfs/dbraw/zinc/20/69/04/191206904.db2.gz VBHKSCJMOXVLQU-AWEZNQCLSA-N 2 2 282.387 3.314 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000367437695 234214235 /nfs/dbraw/zinc/21/42/35/234214235.db2.gz JQDMYQJUTZESIJ-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP Fc1ccc(C[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367716642 234245016 /nfs/dbraw/zinc/24/50/16/234245016.db2.gz APHLEZJLWLQXTH-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1ccc(C[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367716642 234245019 /nfs/dbraw/zinc/24/50/19/234245019.db2.gz APHLEZJLWLQXTH-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368025973 234271791 /nfs/dbraw/zinc/27/17/91/234271791.db2.gz YYRVPVOUWHTOIJ-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000516914486 535209580 /nfs/dbraw/zinc/20/95/80/535209580.db2.gz YILLSQKVCSSZLN-UHFFFAOYSA-N 2 2 278.783 3.427 20 0 CGADLP Clc1cccc2c1OC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000368580549 234323289 /nfs/dbraw/zinc/32/32/89/234323289.db2.gz AZBIQJCCHTVAJE-CQSZACIVSA-N 2 2 299.761 3.211 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CC[N@@H+]1C ZINC000157709439 188333421 /nfs/dbraw/zinc/33/34/21/188333421.db2.gz XCXHRCDHKAUMTF-GXTWGEPZSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CC[N@H+]1C ZINC000157709439 188333423 /nfs/dbraw/zinc/33/34/23/188333423.db2.gz XCXHRCDHKAUMTF-GXTWGEPZSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555166 188381320 /nfs/dbraw/zinc/38/13/20/188381320.db2.gz MNJBYZJHIOZQNL-INIZCTEOSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555166 188381321 /nfs/dbraw/zinc/38/13/21/188381321.db2.gz MNJBYZJHIOZQNL-INIZCTEOSA-N 2 2 295.430 3.181 20 0 CGADLP Clc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000336380094 213233381 /nfs/dbraw/zinc/23/33/81/213233381.db2.gz JHXXIFJOWQPJAB-UHFFFAOYSA-N 2 2 265.744 3.036 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1C[C@H]1C ZINC000414079190 235330924 /nfs/dbraw/zinc/33/09/24/235330924.db2.gz SOVBFPGQACPFPL-FRRDWIJNSA-N 2 2 257.381 3.130 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091318904 138343677 /nfs/dbraw/zinc/34/36/77/138343677.db2.gz ZCVWNENYDUHZBQ-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091318904 138343678 /nfs/dbraw/zinc/34/36/78/138343678.db2.gz ZCVWNENYDUHZBQ-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2ccn(C)c2)[NH+]2CCCC2)cc1 ZINC000124599884 138376154 /nfs/dbraw/zinc/37/61/54/138376154.db2.gz AJMZEUIOVFWFGH-IBGZPJMESA-N 2 2 297.446 3.260 20 0 CGADLP COCc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000125280985 138380992 /nfs/dbraw/zinc/38/09/92/138380992.db2.gz IPCWEGLDFNNIDU-UHFFFAOYSA-N 2 2 294.439 3.170 20 0 CGADLP COCc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000125280985 138380993 /nfs/dbraw/zinc/38/09/93/138380993.db2.gz IPCWEGLDFNNIDU-UHFFFAOYSA-N 2 2 294.439 3.170 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423235169 236004625 /nfs/dbraw/zinc/00/46/25/236004625.db2.gz MVJBUCIRINYMFD-CMPLNLGQSA-N 2 2 281.469 3.152 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000423232943 236004803 /nfs/dbraw/zinc/00/48/03/236004803.db2.gz CUXZWVILMNHSFT-IRXDYDNUSA-N 2 2 270.351 3.103 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(O)c1 ZINC000423283358 236022289 /nfs/dbraw/zinc/02/22/89/236022289.db2.gz VUQQLDGYIYBJIT-AWEZNQCLSA-N 2 2 276.424 3.355 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)oc21 ZINC000423269201 236014935 /nfs/dbraw/zinc/01/49/35/236014935.db2.gz VOUMDEBPJWBNGP-OCCSQVGLSA-N 2 2 290.407 3.465 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423319067 236036899 /nfs/dbraw/zinc/03/68/99/236036899.db2.gz LNUCKSGVXIOQIK-TVQRCGJNSA-N 2 2 278.783 3.474 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000423331607 236041285 /nfs/dbraw/zinc/04/12/85/236041285.db2.gz MQVDAQYTFGARHO-SFHVURJKSA-N 2 2 290.451 3.013 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cs2)cs1 ZINC000423361426 236050437 /nfs/dbraw/zinc/05/04/37/236050437.db2.gz GSTQGZBHSOJLDU-DTWKUNHWSA-N 2 2 281.450 3.178 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)cn1 ZINC000423401980 236064244 /nfs/dbraw/zinc/06/42/44/236064244.db2.gz XZPWXJFFMUZYEZ-SMDDNHRTSA-N 2 2 281.831 3.164 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c(Cl)c1 ZINC000424265493 236138266 /nfs/dbraw/zinc/13/82/66/236138266.db2.gz VSQCDCVYCCWEEX-GFCCVEGCSA-N 2 2 293.798 3.286 20 0 CGADLP COC1(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000294539484 199077997 /nfs/dbraw/zinc/07/79/97/199077997.db2.gz KFIIVDRBHCBWJK-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000427855284 236350001 /nfs/dbraw/zinc/35/00/01/236350001.db2.gz SBDYAWYEJLAYJJ-YPMHNXCESA-N 2 2 287.432 3.099 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCC1 ZINC000423334398 283406846 /nfs/dbraw/zinc/40/68/46/283406846.db2.gz SXCPWHZKNWDCBO-CYBMUJFWSA-N 2 2 280.799 3.025 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000436285359 237071053 /nfs/dbraw/zinc/07/10/53/237071053.db2.gz DSDIPNOFSQSIDQ-RBUKOAKNSA-N 2 2 286.463 3.473 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000437073956 237241835 /nfs/dbraw/zinc/24/18/35/237241835.db2.gz FZGLXPKXEOAPNQ-DLBZAZTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+](C)CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341789214 216106588 /nfs/dbraw/zinc/10/65/88/216106588.db2.gz CVPYQJNFMJKIDJ-UHFFFAOYSA-N 2 2 263.772 3.252 20 0 CGADLP CC[N@@H+](C)CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341789214 216106591 /nfs/dbraw/zinc/10/65/91/216106591.db2.gz CVPYQJNFMJKIDJ-UHFFFAOYSA-N 2 2 263.772 3.252 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824889 200287888 /nfs/dbraw/zinc/28/78/88/200287888.db2.gz ZDZKUWYDUQBMPP-WBVHZDCISA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824889 200287889 /nfs/dbraw/zinc/28/78/89/200287889.db2.gz ZDZKUWYDUQBMPP-WBVHZDCISA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297871338 200296378 /nfs/dbraw/zinc/29/63/78/200296378.db2.gz PTPBGRRBYGYEGG-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297871338 200296379 /nfs/dbraw/zinc/29/63/79/200296379.db2.gz PTPBGRRBYGYEGG-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423439794 296022904 /nfs/dbraw/zinc/02/29/04/296022904.db2.gz IDNHHJZGCYLRLS-HLTSFMKQSA-N 2 2 261.196 3.380 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CCCc3occc32)[nH+]1 ZINC000179417803 189193215 /nfs/dbraw/zinc/19/32/15/189193215.db2.gz MFWFBHBHMMEJPT-CQSZACIVSA-N 2 2 267.332 3.095 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3(F)CCC3)n2c1 ZINC000342196541 216255700 /nfs/dbraw/zinc/25/57/00/216255700.db2.gz GSPDQULEUJNOQA-UHFFFAOYSA-N 2 2 261.344 3.015 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000441357417 238398746 /nfs/dbraw/zinc/39/87/46/238398746.db2.gz NQBBMYDLYCXTRL-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)C1 ZINC000441357417 238398751 /nfs/dbraw/zinc/39/87/51/238398751.db2.gz NQBBMYDLYCXTRL-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP CC(C)(C)c1nc(NCCC[NH2+]C2CCCCC2)cc[nH+]1 ZINC000301497615 201032320 /nfs/dbraw/zinc/03/23/20/201032320.db2.gz BVCBLURYPWQOES-UHFFFAOYSA-N 2 2 290.455 3.498 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1Cl ZINC000301517627 201040824 /nfs/dbraw/zinc/04/08/24/201040824.db2.gz MDJWIYLWBPVRBZ-LBPRGKRZSA-N 2 2 267.804 3.411 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1Cl ZINC000301517627 201040825 /nfs/dbraw/zinc/04/08/25/201040825.db2.gz MDJWIYLWBPVRBZ-LBPRGKRZSA-N 2 2 267.804 3.411 20 0 CGADLP Cc1cc[nH+]c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000301654850 201118591 /nfs/dbraw/zinc/11/85/91/201118591.db2.gz RNRGXVCPYZRXST-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000301654850 201118594 /nfs/dbraw/zinc/11/85/94/201118594.db2.gz RNRGXVCPYZRXST-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP CC(C)c1cc(N(C)CC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000301854699 201233771 /nfs/dbraw/zinc/23/37/71/201233771.db2.gz HQEVBNUSSJHHIT-UHFFFAOYSA-N 2 2 290.455 3.255 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000301984207 201287187 /nfs/dbraw/zinc/28/71/87/201287187.db2.gz KMMDVRLCAYPQDA-SOUVJXGZSA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1F ZINC000449015944 239115631 /nfs/dbraw/zinc/11/56/31/239115631.db2.gz GJPDVNBEECBRSN-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000449015878 239115807 /nfs/dbraw/zinc/11/58/07/239115807.db2.gz FYDVECIHGJNPJZ-SFHVURJKSA-N 2 2 295.430 3.367 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000449015878 239115811 /nfs/dbraw/zinc/11/58/11/239115811.db2.gz FYDVECIHGJNPJZ-SFHVURJKSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449192749 239235821 /nfs/dbraw/zinc/23/58/21/239235821.db2.gz MDICOXCYVNZYCH-LBTNJELSSA-N 2 2 298.430 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449192749 239235823 /nfs/dbraw/zinc/23/58/23/239235823.db2.gz MDICOXCYVNZYCH-LBTNJELSSA-N 2 2 298.430 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[NH+]1CCCC1 ZINC000449221851 239252858 /nfs/dbraw/zinc/25/28/58/239252858.db2.gz UQJZEQZWFLMURT-CQSZACIVSA-N 2 2 272.392 3.049 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449325295 239315975 /nfs/dbraw/zinc/31/59/75/239315975.db2.gz LPBBLUWFSJTLGL-HNNXBMFYSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449325295 239315980 /nfs/dbraw/zinc/31/59/80/239315980.db2.gz LPBBLUWFSJTLGL-HNNXBMFYSA-N 2 2 281.359 3.156 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(F)F ZINC000449417436 239398147 /nfs/dbraw/zinc/39/81/47/239398147.db2.gz XZAQNLUGVSCANB-VIFPVBQESA-N 2 2 271.336 3.067 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337283141 376190324 /nfs/dbraw/zinc/19/03/24/376190324.db2.gz XVRMLPXYTGSFEI-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337283141 376190330 /nfs/dbraw/zinc/19/03/30/376190330.db2.gz XVRMLPXYTGSFEI-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1Cl ZINC000424380954 299369909 /nfs/dbraw/zinc/36/99/09/299369909.db2.gz XXPHTBJSBYDVOZ-CUOATXAZSA-N 2 2 270.779 3.400 20 0 CGADLP CC[C@H](c1ccccc1OC)[N@H+](C)CCc1c[nH+]cn1C ZINC000459543004 242127727 /nfs/dbraw/zinc/12/77/27/242127727.db2.gz XXYVTEKRYSCRII-MRXNPFEDSA-N 2 2 287.407 3.054 20 0 CGADLP CC[C@H](c1ccccc1OC)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459543004 242127733 /nfs/dbraw/zinc/12/77/33/242127733.db2.gz XXYVTEKRYSCRII-MRXNPFEDSA-N 2 2 287.407 3.054 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000459355672 242088788 /nfs/dbraw/zinc/08/87/88/242088788.db2.gz XNNKNIWLLWYSEA-SFHVURJKSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000459355672 242088791 /nfs/dbraw/zinc/08/87/91/242088791.db2.gz XNNKNIWLLWYSEA-SFHVURJKSA-N 2 2 297.446 3.450 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459662085 242166821 /nfs/dbraw/zinc/16/68/21/242166821.db2.gz NBEGNROUWVJXKD-ROUUACIJSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CCC[NH2+]1 ZINC000423024025 299375359 /nfs/dbraw/zinc/37/53/59/299375359.db2.gz IKGWJXVNUHWYSH-NILFDRSVSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1ccc2c(C)cc(NC[C@@H](C3CC3)[NH+](C)C)[nH+]c2c1 ZINC000460931415 242286978 /nfs/dbraw/zinc/28/69/78/242286978.db2.gz BSKUHEOIFGKPEK-KRWDZBQOSA-N 2 2 283.419 3.026 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C[N@@H+]1C1CC1 ZINC000121701774 370886932 /nfs/dbraw/zinc/88/69/32/370886932.db2.gz BWIYSIXRSHTRAD-JSGCOSHPSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C[N@H+]1C1CC1 ZINC000121701774 370886936 /nfs/dbraw/zinc/88/69/36/370886936.db2.gz BWIYSIXRSHTRAD-JSGCOSHPSA-N 2 2 270.376 3.148 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000353285974 220008225 /nfs/dbraw/zinc/00/82/25/220008225.db2.gz BUVUXPAOCXQJMH-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000335498655 212178693 /nfs/dbraw/zinc/17/86/93/212178693.db2.gz SGEXULRNKVKXFV-UKRRQHHQSA-N 2 2 269.392 3.028 20 0 CGADLP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1)C(C)C ZINC000480529885 243152210 /nfs/dbraw/zinc/15/22/10/243152210.db2.gz RWFRWPOIEPQKAT-DLBZAZTESA-N 2 2 284.488 3.148 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480621537 243157435 /nfs/dbraw/zinc/15/74/35/243157435.db2.gz FJWCLUBLTNNJDD-QFBILLFUSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480621537 243157440 /nfs/dbraw/zinc/15/74/40/243157440.db2.gz FJWCLUBLTNNJDD-QFBILLFUSA-N 2 2 286.463 3.472 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](COC)C(C)C)[NH+](C)C)cc1 ZINC000479850632 243127763 /nfs/dbraw/zinc/12/77/63/243127763.db2.gz INNOJKWECDSJDH-MSOLQXFVSA-N 2 2 292.467 3.112 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000480262626 243143426 /nfs/dbraw/zinc/14/34/26/243143426.db2.gz XVHRMNXAWKPHDX-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000480262626 243143430 /nfs/dbraw/zinc/14/34/30/243143430.db2.gz XVHRMNXAWKPHDX-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484467508 243313689 /nfs/dbraw/zinc/31/36/89/243313689.db2.gz ACZVOFQBFIQGNY-YOEHRIQHSA-N 2 2 292.492 3.337 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc2c(s1)CCC2 ZINC000484508841 243315903 /nfs/dbraw/zinc/31/59/03/243315903.db2.gz YETUNBTWYOESQQ-XUJVJEKNSA-N 2 2 290.476 3.370 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc2c(s1)CCC2 ZINC000484508841 243315910 /nfs/dbraw/zinc/31/59/10/243315910.db2.gz YETUNBTWYOESQQ-XUJVJEKNSA-N 2 2 290.476 3.370 20 0 CGADLP Cc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000019929533 368787032 /nfs/dbraw/zinc/78/70/32/368787032.db2.gz HSXMYHMORBMKGB-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000019929533 368787040 /nfs/dbraw/zinc/78/70/40/368787040.db2.gz HSXMYHMORBMKGB-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000019943173 368788143 /nfs/dbraw/zinc/78/81/43/368788143.db2.gz FOEGBSAFCICQNR-LBPRGKRZSA-N 2 2 270.367 3.347 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020019163 368793125 /nfs/dbraw/zinc/79/31/25/368793125.db2.gz QFHBEODFVGCBCB-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020019163 368793131 /nfs/dbraw/zinc/79/31/31/368793131.db2.gz QFHBEODFVGCBCB-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000037156996 369072000 /nfs/dbraw/zinc/07/20/00/369072000.db2.gz LOPNANFDEAGOPS-VXGBXAGGSA-N 2 2 295.333 3.224 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000037158076 369072341 /nfs/dbraw/zinc/07/23/41/369072341.db2.gz COVQUIOXKYMGPK-GDBMZVCRSA-N 2 2 257.381 3.321 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000037157047 369072787 /nfs/dbraw/zinc/07/27/87/369072787.db2.gz GMFTXHKFXDYMIS-NWDGAFQWSA-N 2 2 295.333 3.224 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000037158260 369074463 /nfs/dbraw/zinc/07/44/63/369074463.db2.gz XGFSGOODCFJLGZ-FHERZECASA-N 2 2 269.392 3.116 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000037158241 369074496 /nfs/dbraw/zinc/07/44/96/369074496.db2.gz HTTNJMMYRRCOSQ-YGONEPDPSA-N 2 2 289.810 3.461 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000041631401 369192960 /nfs/dbraw/zinc/19/29/60/369192960.db2.gz ZOSYQXZJYBGKLR-NWDGAFQWSA-N 2 2 263.410 3.246 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684735 369265549 /nfs/dbraw/zinc/26/55/49/369265549.db2.gz IZUNILLLCQWFGV-RDJZCZTQSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684735 369265554 /nfs/dbraw/zinc/26/55/54/369265554.db2.gz IZUNILLLCQWFGV-RDJZCZTQSA-N 2 2 258.409 3.272 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494433512 244287942 /nfs/dbraw/zinc/28/79/42/244287942.db2.gz WDKAMWZBSBUBIV-KRWDZBQOSA-N 2 2 283.419 3.186 20 0 CGADLP C[NH+](C)CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000045663093 369283747 /nfs/dbraw/zinc/28/37/47/369283747.db2.gz YDUKXSBTOWWFIX-SFHVURJKSA-N 2 2 283.419 3.102 20 0 CGADLP c1ccc([C@@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049575029 369410901 /nfs/dbraw/zinc/41/09/01/369410901.db2.gz LYIPKBRNKQUKEQ-QGZVFWFLSA-N 2 2 258.409 3.213 20 0 CGADLP CCc1ccc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C(C)C)cc1 ZINC000054763760 369506008 /nfs/dbraw/zinc/50/60/08/369506008.db2.gz XGHKKKKNLFHRSZ-MRXNPFEDSA-N 2 2 257.381 3.459 20 0 CGADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000054110256 369493373 /nfs/dbraw/zinc/49/33/73/369493373.db2.gz SENTUXQAXXLQCB-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000054110256 369493374 /nfs/dbraw/zinc/49/33/74/369493374.db2.gz SENTUXQAXXLQCB-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H]([NH2+]CCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000059313238 369580446 /nfs/dbraw/zinc/58/04/46/369580446.db2.gz FHZBVCJZBMNHFF-NSHDSACASA-N 2 2 283.297 3.475 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000063106054 369641071 /nfs/dbraw/zinc/64/10/71/369641071.db2.gz NGYCVRMTNUUDRF-AWEZNQCLSA-N 2 2 269.392 3.297 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000063106054 369641076 /nfs/dbraw/zinc/64/10/76/369641076.db2.gz NGYCVRMTNUUDRF-AWEZNQCLSA-N 2 2 269.392 3.297 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000537747087 376198836 /nfs/dbraw/zinc/19/88/36/376198836.db2.gz AFWAJWSQGZRJKK-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000537747087 376198841 /nfs/dbraw/zinc/19/88/41/376198841.db2.gz AFWAJWSQGZRJKK-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP CCOC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072977464 369846011 /nfs/dbraw/zinc/84/60/11/369846011.db2.gz BGEVHUKHRUIXGW-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072977464 369846013 /nfs/dbraw/zinc/84/60/13/369846013.db2.gz BGEVHUKHRUIXGW-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc1C ZINC000088602035 370036533 /nfs/dbraw/zinc/03/65/33/370036533.db2.gz TZGLREXQYYFTRE-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)sc1C ZINC000088602035 370036538 /nfs/dbraw/zinc/03/65/38/370036538.db2.gz TZGLREXQYYFTRE-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000080428685 369988513 /nfs/dbraw/zinc/98/85/13/369988513.db2.gz DXCXEDGEIQKFFO-TZMCWYRMSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000090720793 370065681 /nfs/dbraw/zinc/06/56/81/370065681.db2.gz ZQZARHKLAQECIQ-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000090720793 370065684 /nfs/dbraw/zinc/06/56/84/370065684.db2.gz ZQZARHKLAQECIQ-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091892667 370076352 /nfs/dbraw/zinc/07/63/52/370076352.db2.gz YYSHIIIRQNIVAJ-QSJFSLAZSA-N 2 2 288.435 3.462 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091892667 370076356 /nfs/dbraw/zinc/07/63/56/370076356.db2.gz YYSHIIIRQNIVAJ-QSJFSLAZSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091892667 370076359 /nfs/dbraw/zinc/07/63/59/370076359.db2.gz YYSHIIIRQNIVAJ-QSJFSLAZSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091892667 370076362 /nfs/dbraw/zinc/07/63/62/370076362.db2.gz YYSHIIIRQNIVAJ-QSJFSLAZSA-N 2 2 288.435 3.462 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2c[nH+]c[nH]2)o1 ZINC000093559106 370141197 /nfs/dbraw/zinc/14/11/97/370141197.db2.gz VUHWWTZNNJJOOH-AWEZNQCLSA-N 2 2 259.353 3.428 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2c[nH+]c[nH]2)o1 ZINC000093559106 370141198 /nfs/dbraw/zinc/14/11/98/370141198.db2.gz VUHWWTZNNJJOOH-AWEZNQCLSA-N 2 2 259.353 3.428 20 0 CGADLP CC[N@@H+](Cc1ccco1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564599 370143214 /nfs/dbraw/zinc/14/32/14/370143214.db2.gz NLYLMMJNMUSNMX-UHFFFAOYSA-N 2 2 299.418 3.413 20 0 CGADLP CC[N@H+](Cc1ccco1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564599 370143223 /nfs/dbraw/zinc/14/32/23/370143223.db2.gz NLYLMMJNMUSNMX-UHFFFAOYSA-N 2 2 299.418 3.413 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000112340060 370422213 /nfs/dbraw/zinc/42/22/13/370422213.db2.gz BBQZUXZCTAZGNG-SECBINFHSA-N 2 2 285.269 3.159 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000512022189 245014339 /nfs/dbraw/zinc/01/43/39/245014339.db2.gz FUXQRLBIRQQRNB-DEOOVVBZSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000512022189 245014345 /nfs/dbraw/zinc/01/43/45/245014345.db2.gz FUXQRLBIRQQRNB-DEOOVVBZSA-N 2 2 292.373 3.193 20 0 CGADLP Cc1nc(NC2CCC([NH+]3CCC(C)CC3)CC2)cc[nH+]1 ZINC000132222280 371159498 /nfs/dbraw/zinc/15/94/98/371159498.db2.gz ODTWHXVFWBKTJA-UHFFFAOYSA-N 2 2 288.439 3.240 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000132263842 371161968 /nfs/dbraw/zinc/16/19/68/371161968.db2.gz GWUFYKJGZNRLKL-OAHLLOKOSA-N 2 2 285.435 3.498 20 0 CGADLP C[N@H+](CCC1CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135254950 371406367 /nfs/dbraw/zinc/40/63/67/371406367.db2.gz UVBDTIHKMRDNBU-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[N@@H+](CCC1CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135254950 371406373 /nfs/dbraw/zinc/40/63/73/371406373.db2.gz UVBDTIHKMRDNBU-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151520171 371609348 /nfs/dbraw/zinc/60/93/48/371609348.db2.gz UQMLDOAGFWZYJM-ZIAGYGMSSA-N 2 2 284.407 3.182 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353317297 220022147 /nfs/dbraw/zinc/02/21/47/220022147.db2.gz VWZFNDZITPLDKM-NEPJUHHUSA-N 2 2 271.355 3.075 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152796262 371724101 /nfs/dbraw/zinc/72/41/01/371724101.db2.gz IPLFYGSDDNFZDT-OAHLLOKOSA-N 2 2 283.419 3.421 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000287675918 371692829 /nfs/dbraw/zinc/69/28/29/371692829.db2.gz WAAORVUYSMLADX-SLEUVZQESA-N 2 2 296.455 3.366 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000287675918 371692830 /nfs/dbraw/zinc/69/28/30/371692830.db2.gz WAAORVUYSMLADX-SLEUVZQESA-N 2 2 296.455 3.366 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000153130506 371751960 /nfs/dbraw/zinc/75/19/60/371751960.db2.gz IYKLCRAJJRNANE-AEFFLSMTSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422698793 371757886 /nfs/dbraw/zinc/75/78/86/371757886.db2.gz BALJWSYWENWWFX-DYVFJYSZSA-N 2 2 254.377 3.070 20 0 CGADLP Cc1sc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)nc1C(C)C ZINC000422703291 371760226 /nfs/dbraw/zinc/76/02/26/371760226.db2.gz HMQQATMDCZAWFP-JTQLQIEISA-N 2 2 290.436 3.233 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827855 371830831 /nfs/dbraw/zinc/83/08/31/371830831.db2.gz NSNXTDKAWAOZMK-SJORKVTESA-N 2 2 276.424 3.094 20 0 CGADLP CCC(CC)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000153924651 371800669 /nfs/dbraw/zinc/80/06/69/371800669.db2.gz ZWUAOYPTHZCWEM-HNNXBMFYSA-N 2 2 263.429 3.111 20 0 CGADLP CCC(CC)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000153924651 371800676 /nfs/dbraw/zinc/80/06/76/371800676.db2.gz ZWUAOYPTHZCWEM-HNNXBMFYSA-N 2 2 263.429 3.111 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)oc1C ZINC000337385279 214043379 /nfs/dbraw/zinc/04/33/79/214043379.db2.gz HHYCIDIEDJBZEU-ZDUSSCGKSA-N 2 2 276.424 3.421 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000289890598 371846195 /nfs/dbraw/zinc/84/61/95/371846195.db2.gz WZKREXBRYNMCBL-AWEZNQCLSA-N 2 2 270.376 3.379 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422869929 371846455 /nfs/dbraw/zinc/84/64/55/371846455.db2.gz BCXJHAMZAKHEJV-NUEKZKHPSA-N 2 2 276.424 3.142 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422874706 371848875 /nfs/dbraw/zinc/84/88/75/371848875.db2.gz AQMRHWAGAXIOBN-BMFZPTHFSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154521313 371853981 /nfs/dbraw/zinc/85/39/81/371853981.db2.gz JURBGAMGQSEGEF-RYUDHWBXSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154521313 371853986 /nfs/dbraw/zinc/85/39/86/371853986.db2.gz JURBGAMGQSEGEF-RYUDHWBXSA-N 2 2 286.872 3.406 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422890527 371857346 /nfs/dbraw/zinc/85/73/46/371857346.db2.gz ILZZVOHFLMMJKS-STQMWFEESA-N 2 2 291.420 3.153 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621412 371864214 /nfs/dbraw/zinc/86/42/14/371864214.db2.gz LZBZKXLXJXPNDP-ZFWWWQNUSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621412 371864219 /nfs/dbraw/zinc/86/42/19/371864219.db2.gz LZBZKXLXJXPNDP-ZFWWWQNUSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000422915916 371867206 /nfs/dbraw/zinc/86/72/06/371867206.db2.gz ZJJKUDJZNYZGDO-SJLPKXTDSA-N 2 2 283.419 3.245 20 0 CGADLP CC[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422918158 371868305 /nfs/dbraw/zinc/86/83/05/371868305.db2.gz GTCQRWGLBLZAHC-BBWFWOEESA-N 2 2 294.414 3.024 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919624 371869627 /nfs/dbraw/zinc/86/96/27/371869627.db2.gz KMQNLWOJKICTBR-KCQAQPDRSA-N 2 2 296.842 3.228 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000422925206 371873815 /nfs/dbraw/zinc/87/38/15/371873815.db2.gz AQEZTMSBTGQXCB-MNOVXSKESA-N 2 2 258.818 3.022 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422926186 371875417 /nfs/dbraw/zinc/87/54/17/371875417.db2.gz CRKHRPWKYZVRHO-VHDGCEQUSA-N 2 2 276.449 3.344 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1ccc(O)cc1 ZINC000290229179 371940358 /nfs/dbraw/zinc/94/03/58/371940358.db2.gz FTHXRZCYMYWDAC-UHFFFAOYSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000422984482 371901862 /nfs/dbraw/zinc/90/18/62/371901862.db2.gz XYUUETYSNWQEJA-DOMZBBRYSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423000215 371908215 /nfs/dbraw/zinc/90/82/15/371908215.db2.gz UTDXYMBIFWWVBF-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423093952 371958877 /nfs/dbraw/zinc/95/88/77/371958877.db2.gz AUWNHLMQMDVSPZ-JMSVASOKSA-N 2 2 264.438 3.200 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000290331584 371966186 /nfs/dbraw/zinc/96/61/86/371966186.db2.gz DUFZPNONFOSRBC-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000290331584 371966192 /nfs/dbraw/zinc/96/61/92/371966192.db2.gz DUFZPNONFOSRBC-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381854 371977331 /nfs/dbraw/zinc/97/73/31/371977331.db2.gz IDYLMWVODHUQCR-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1F ZINC000290381854 371977337 /nfs/dbraw/zinc/97/73/37/371977337.db2.gz IDYLMWVODHUQCR-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1F ZINC000290381854 371977342 /nfs/dbraw/zinc/97/73/42/371977342.db2.gz IDYLMWVODHUQCR-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000290381854 371977346 /nfs/dbraw/zinc/97/73/46/371977346.db2.gz IDYLMWVODHUQCR-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423171038 372002172 /nfs/dbraw/zinc/00/21/72/372002172.db2.gz NGCICZQMYBIPSL-GIFSMMMISA-N 2 2 282.790 3.065 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000423135793 371984054 /nfs/dbraw/zinc/98/40/54/371984054.db2.gz ULCLDWWDNHBQKV-CVEARBPZSA-N 2 2 278.465 3.419 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142427 371989284 /nfs/dbraw/zinc/98/92/84/371989284.db2.gz VDLLQYXIYTYWHB-XMTFNYHQSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142427 371989286 /nfs/dbraw/zinc/98/92/86/371989286.db2.gz VDLLQYXIYTYWHB-XMTFNYHQSA-N 3 2 295.515 3.007 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172040 372003087 /nfs/dbraw/zinc/00/30/87/372003087.db2.gz QZEZGJCNQJVVHU-NVXWUHKLSA-N 2 2 298.430 3.005 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423069893 371945954 /nfs/dbraw/zinc/94/59/54/371945954.db2.gz FIMABMCYKYTBDJ-SUMWQHHRSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423189088 372015001 /nfs/dbraw/zinc/01/50/01/372015001.db2.gz MFSARDJXZZVOOK-AGIUHOORSA-N 2 2 289.448 3.130 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423186910 372015100 /nfs/dbraw/zinc/01/51/00/372015100.db2.gz KNTUNLQJBHFSEP-JQFCIGGWSA-N 2 2 258.409 3.213 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)oc1C ZINC000423191832 372017838 /nfs/dbraw/zinc/01/78/38/372017838.db2.gz UFSZMBIHEPSILL-AWEZNQCLSA-N 2 2 287.407 3.122 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000423214784 372034516 /nfs/dbraw/zinc/03/45/16/372034516.db2.gz NCMYXJBERSASMG-AAEUAGOBSA-N 2 2 282.815 3.140 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423222426 372039656 /nfs/dbraw/zinc/03/96/56/372039656.db2.gz AXSAKCMWOXNUAE-AWEZNQCLSA-N 2 2 284.403 3.232 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423251603 372044440 /nfs/dbraw/zinc/04/44/40/372044440.db2.gz WHGQRQVWZDJTIE-GFCCVEGCSA-N 2 2 270.829 3.076 20 0 CGADLP CO[C@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000291065431 372108045 /nfs/dbraw/zinc/10/80/45/372108045.db2.gz AOBVPFNKAXAYFX-RDTXWAMCSA-N 2 2 299.418 3.338 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000344199874 217094308 /nfs/dbraw/zinc/09/43/08/217094308.db2.gz SHCOQRZPKSLIJZ-INIZCTEOSA-N 2 2 298.858 3.349 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CC[N@H+](C)CCOC ZINC000159349189 372134687 /nfs/dbraw/zinc/13/46/87/372134687.db2.gz OGHUDSAUJQDOPL-CQSZACIVSA-N 2 2 296.480 3.027 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CC[N@@H+](C)CCOC ZINC000159349189 372134689 /nfs/dbraw/zinc/13/46/89/372134689.db2.gz OGHUDSAUJQDOPL-CQSZACIVSA-N 2 2 296.480 3.027 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344290689 217135451 /nfs/dbraw/zinc/13/54/51/217135451.db2.gz MIIQVDUCGUWPDE-ZTFGCOKTSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344290689 217135454 /nfs/dbraw/zinc/13/54/54/217135454.db2.gz MIIQVDUCGUWPDE-ZTFGCOKTSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000429025309 372305821 /nfs/dbraw/zinc/30/58/21/372305821.db2.gz YFZVCMQLWSSNOG-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000429025309 372305825 /nfs/dbraw/zinc/30/58/25/372305825.db2.gz YFZVCMQLWSSNOG-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(Cl)c1 ZINC000429025309 372305828 /nfs/dbraw/zinc/30/58/28/372305828.db2.gz YFZVCMQLWSSNOG-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(Cl)c1 ZINC000429025309 372305832 /nfs/dbraw/zinc/30/58/32/372305832.db2.gz YFZVCMQLWSSNOG-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293246295 372335989 /nfs/dbraw/zinc/33/59/89/372335989.db2.gz RFHZPWHOEUURGF-GFCCVEGCSA-N 2 2 292.814 3.113 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293246295 372335996 /nfs/dbraw/zinc/33/59/96/372335996.db2.gz RFHZPWHOEUURGF-GFCCVEGCSA-N 2 2 292.814 3.113 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2csc3ccccc23)CCC[N@@H+]1C ZINC000344333443 217155901 /nfs/dbraw/zinc/15/59/01/217155901.db2.gz PRHIKOGNTVGSGS-DOMZBBRYSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2csc3ccccc23)CCC[N@H+]1C ZINC000344333443 217155903 /nfs/dbraw/zinc/15/59/03/217155903.db2.gz PRHIKOGNTVGSGS-DOMZBBRYSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@@H+]1C ZINC000344355446 217165906 /nfs/dbraw/zinc/16/59/06/217165906.db2.gz LNQHYHNASXVXJU-DNVCBOLYSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@H+]1C ZINC000344355446 217165908 /nfs/dbraw/zinc/16/59/08/217165908.db2.gz LNQHYHNASXVXJU-DNVCBOLYSA-N 2 2 295.430 3.321 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C(C)(C)C ZINC000162253855 372384270 /nfs/dbraw/zinc/38/42/70/372384270.db2.gz NCILYSBWWOSEFM-GFCCVEGCSA-N 2 2 259.397 3.369 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cncs1 ZINC000162859981 372428462 /nfs/dbraw/zinc/42/84/62/372428462.db2.gz RTQLEBMJMWRMFZ-LBPRGKRZSA-N 2 2 276.409 3.081 20 0 CGADLP CC1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000163389415 372465322 /nfs/dbraw/zinc/46/53/22/372465322.db2.gz VIOVAVWGLQIHGO-WIHSUSGWSA-N 2 2 258.409 3.039 20 0 CGADLP CC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000163389415 372465325 /nfs/dbraw/zinc/46/53/25/372465325.db2.gz VIOVAVWGLQIHGO-WIHSUSGWSA-N 2 2 258.409 3.039 20 0 CGADLP CCC[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000293809798 372488350 /nfs/dbraw/zinc/48/83/50/372488350.db2.gz YYBYSYLTPPHBRX-RHSMWYFYSA-N 2 2 287.407 3.338 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000166509756 372577107 /nfs/dbraw/zinc/57/71/07/372577107.db2.gz RQOJTUQWXKIJNP-SWLSCSKDSA-N 2 2 261.344 3.152 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2CCCCCC2)CC1 ZINC000344527212 217221696 /nfs/dbraw/zinc/22/16/96/217221696.db2.gz PUOMVVZDNNFJGE-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@H]1CCCC[C@@H]1C ZINC000434984521 372721777 /nfs/dbraw/zinc/72/17/77/372721777.db2.gz ASOMMKHKMSOVEF-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@H]1CCCC[C@@H]1C ZINC000434984521 372721786 /nfs/dbraw/zinc/72/17/86/372721786.db2.gz ASOMMKHKMSOVEF-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@H]1CCCC[C@@H]1C ZINC000434984521 372721791 /nfs/dbraw/zinc/72/17/91/372721791.db2.gz ASOMMKHKMSOVEF-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@H]1CCCC[C@@H]1C ZINC000434984521 372721796 /nfs/dbraw/zinc/72/17/96/372721796.db2.gz ASOMMKHKMSOVEF-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP CCc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434987749 372722912 /nfs/dbraw/zinc/72/29/12/372722912.db2.gz VSCOLNMYGOVDKW-UHFFFAOYSA-N 2 2 283.419 3.394 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000295352029 372747857 /nfs/dbraw/zinc/74/78/57/372747857.db2.gz IRYPDOKHZPHWGW-FHIRATQRSA-N 2 2 285.391 3.089 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2c1 ZINC000435386276 372756333 /nfs/dbraw/zinc/75/63/33/372756333.db2.gz TYSMMHAURCISFT-WBMJQRKESA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2c1 ZINC000435386276 372756343 /nfs/dbraw/zinc/75/63/43/372756343.db2.gz TYSMMHAURCISFT-WBMJQRKESA-N 2 2 288.391 3.143 20 0 CGADLP CC[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435390463 372757828 /nfs/dbraw/zinc/75/78/28/372757828.db2.gz BDPLZMMZWIKREX-QGZVFWFLSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435390463 372757837 /nfs/dbraw/zinc/75/78/37/372757837.db2.gz BDPLZMMZWIKREX-QGZVFWFLSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435394553 372758576 /nfs/dbraw/zinc/75/85/76/372758576.db2.gz NYGJFRSLCBNEBX-CQSZACIVSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435394553 372758585 /nfs/dbraw/zinc/75/85/85/372758585.db2.gz NYGJFRSLCBNEBX-CQSZACIVSA-N 2 2 295.496 3.405 20 0 CGADLP CC(C)CCc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435615335 372783838 /nfs/dbraw/zinc/78/38/38/372783838.db2.gz HJCCWQUUMDIIIG-HNNXBMFYSA-N 2 2 295.496 3.306 20 0 CGADLP CC(C)CCc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435615335 372783845 /nfs/dbraw/zinc/78/38/45/372783845.db2.gz HJCCWQUUMDIIIG-HNNXBMFYSA-N 2 2 295.496 3.306 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353447481 220087376 /nfs/dbraw/zinc/08/73/76/220087376.db2.gz METFCKUZTQMBLJ-MRXNPFEDSA-N 2 2 292.471 3.351 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353447481 220087378 /nfs/dbraw/zinc/08/73/78/220087378.db2.gz METFCKUZTQMBLJ-MRXNPFEDSA-N 2 2 292.471 3.351 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccco1 ZINC000353444508 220086863 /nfs/dbraw/zinc/08/68/63/220086863.db2.gz BJSIBOGKOXSLFP-UHFFFAOYSA-N 2 2 288.391 3.064 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccco1 ZINC000353444508 220086865 /nfs/dbraw/zinc/08/68/65/220086865.db2.gz BJSIBOGKOXSLFP-UHFFFAOYSA-N 2 2 288.391 3.064 20 0 CGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000171680864 372806813 /nfs/dbraw/zinc/80/68/13/372806813.db2.gz OAHXWWRSGUNWMT-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000171680864 372806822 /nfs/dbraw/zinc/80/68/22/372806822.db2.gz OAHXWWRSGUNWMT-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000072860627 284348368 /nfs/dbraw/zinc/34/83/68/284348368.db2.gz XFUBYXLARMXGIN-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000072860627 284348369 /nfs/dbraw/zinc/34/83/69/284348369.db2.gz XFUBYXLARMXGIN-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000072860627 284348370 /nfs/dbraw/zinc/34/83/70/284348370.db2.gz XFUBYXLARMXGIN-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000072860627 284348371 /nfs/dbraw/zinc/34/83/71/284348371.db2.gz XFUBYXLARMXGIN-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2CCCc2ccc(C)[nH+]c2)on1 ZINC000353446753 220088723 /nfs/dbraw/zinc/08/87/23/220088723.db2.gz INWRVRQCCPQHRK-MRXNPFEDSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2CCCc2ccc(C)[nH+]c2)on1 ZINC000353446753 220088725 /nfs/dbraw/zinc/08/87/25/220088725.db2.gz INWRVRQCCPQHRK-MRXNPFEDSA-N 2 2 285.391 3.456 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000438087235 372873784 /nfs/dbraw/zinc/87/37/84/372873784.db2.gz WQFZNLLUSQCSLB-LSDHHAIUSA-N 2 2 278.415 3.393 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437965174 372861211 /nfs/dbraw/zinc/86/12/11/372861211.db2.gz USLFUIYUGUBKQQ-UONOGXRCSA-N 2 2 290.373 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437965174 372861218 /nfs/dbraw/zinc/86/12/18/372861218.db2.gz USLFUIYUGUBKQQ-UONOGXRCSA-N 2 2 290.373 3.349 20 0 CGADLP Fc1cc(Cl)c2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000295727734 372891804 /nfs/dbraw/zinc/89/18/04/372891804.db2.gz OOLQUYUCXYAADI-UHFFFAOYSA-N 2 2 293.773 3.124 20 0 CGADLP Fc1cc(Cl)c2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000295727734 372891838 /nfs/dbraw/zinc/89/18/38/372891838.db2.gz OOLQUYUCXYAADI-UHFFFAOYSA-N 2 2 293.773 3.124 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212243 372914989 /nfs/dbraw/zinc/91/49/89/372914989.db2.gz HFCDMVZYMUZSJG-GOEBONIOSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212243 372914994 /nfs/dbraw/zinc/91/49/94/372914994.db2.gz HFCDMVZYMUZSJG-GOEBONIOSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295859990 372937548 /nfs/dbraw/zinc/93/75/48/372937548.db2.gz BLMWVRMGOJGYGV-BBRMVZONSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000443013732 373142180 /nfs/dbraw/zinc/14/21/80/373142180.db2.gz MIDYRIYHKXFKJY-NUJGCVRESA-N 2 2 290.451 3.002 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098276 373250146 /nfs/dbraw/zinc/25/01/46/373250146.db2.gz NQWLSAHQCJSDGG-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098276 373250149 /nfs/dbraw/zinc/25/01/49/373250149.db2.gz NQWLSAHQCJSDGG-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP CC(C)c1cccc2c1CC[N@H+](CCc1c[nH+]cn1C)C2 ZINC000298360410 373302840 /nfs/dbraw/zinc/30/28/40/373302840.db2.gz KEMZLXFMRDTOKR-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP CC(C)c1cccc2c1CC[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000298360410 373302846 /nfs/dbraw/zinc/30/28/46/373302846.db2.gz KEMZLXFMRDTOKR-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000174413938 373311720 /nfs/dbraw/zinc/31/17/20/373311720.db2.gz ODBLPRRPQHDBPL-KGLIPLIRSA-N 2 2 271.408 3.284 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)c1ccccc1 ZINC000174438746 373317440 /nfs/dbraw/zinc/31/74/40/373317440.db2.gz OPFXEEPQLIDTSM-HNNXBMFYSA-N 2 2 257.381 3.256 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000175751534 373513741 /nfs/dbraw/zinc/51/37/41/373513741.db2.gz WLLZXCZREGSANO-VIFPVBQESA-N 2 2 285.269 3.159 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CCC1 ZINC000448022249 373536294 /nfs/dbraw/zinc/53/62/94/373536294.db2.gz NENUQODZLJTJHQ-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CCC1 ZINC000448022249 373536305 /nfs/dbraw/zinc/53/63/05/373536305.db2.gz NENUQODZLJTJHQ-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)[NH+]1CCCC1 ZINC000301057592 373642171 /nfs/dbraw/zinc/64/21/71/373642171.db2.gz APABJBOZXKMZHO-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301073052 373648910 /nfs/dbraw/zinc/64/89/10/373648910.db2.gz WZHCXEVCAFFBNO-UHFFFAOYSA-N 2 2 276.428 3.193 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000178065945 373740215 /nfs/dbraw/zinc/74/02/15/373740215.db2.gz FKSDEAAFKHXRJI-LSDHHAIUSA-N 2 2 296.480 3.290 20 0 CGADLP c1ccc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)[nH+]c1 ZINC000301861409 373811126 /nfs/dbraw/zinc/81/11/26/373811126.db2.gz FXFCSHIAJYRXCH-UHFFFAOYSA-N 2 2 293.374 3.039 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000178957760 373821603 /nfs/dbraw/zinc/82/16/03/373821603.db2.gz QLICEJVKQJEVOY-YJBOKZPZSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000178957760 373821609 /nfs/dbraw/zinc/82/16/09/373821609.db2.gz QLICEJVKQJEVOY-YJBOKZPZSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000179000608 373824596 /nfs/dbraw/zinc/82/45/96/373824596.db2.gz NKQNYYIEXVPCOC-CYBMUJFWSA-N 2 2 283.375 3.364 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)[NH+](C)C ZINC000449555500 373832014 /nfs/dbraw/zinc/83/20/14/373832014.db2.gz HHIWWBBYAUXSTR-BHYGNILZSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000449499727 373797033 /nfs/dbraw/zinc/79/70/33/373797033.db2.gz UFCCQGICWRBIAX-AEFFLSMTSA-N 2 2 290.451 3.363 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000449770736 373898620 /nfs/dbraw/zinc/89/86/20/373898620.db2.gz DVCUVDLZRXYQJG-ZDUSSCGKSA-N 2 2 295.496 3.463 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)s1 ZINC000449770736 373898624 /nfs/dbraw/zinc/89/86/24/373898624.db2.gz DVCUVDLZRXYQJG-ZDUSSCGKSA-N 2 2 295.496 3.463 20 0 CGADLP CC[C@](C)([NH2+]Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000179427456 373872180 /nfs/dbraw/zinc/87/21/80/373872180.db2.gz UCECSXDLMHOYMZ-HNNXBMFYSA-N 2 2 286.404 3.206 20 0 CGADLP C[C@@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH+]ccn1C ZINC000180060591 373962296 /nfs/dbraw/zinc/96/22/96/373962296.db2.gz XRWIYMHSCSNIFE-LLVKDONJSA-N 2 2 295.390 3.357 20 0 CGADLP COc1c(C)cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1C ZINC000179833524 373924981 /nfs/dbraw/zinc/92/49/81/373924981.db2.gz WKDHXBDEDQZPHJ-UHFFFAOYSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000289531630 197392348 /nfs/dbraw/zinc/39/23/48/197392348.db2.gz FGFRTQADYWBQNF-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP CS[C@@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180763324 374042468 /nfs/dbraw/zinc/04/24/68/374042468.db2.gz KQJODPKCKTWPSC-CQSZACIVSA-N 2 2 275.421 3.052 20 0 CGADLP CS[C@@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180763324 374042474 /nfs/dbraw/zinc/04/24/74/374042474.db2.gz KQJODPKCKTWPSC-CQSZACIVSA-N 2 2 275.421 3.052 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000181689145 374155801 /nfs/dbraw/zinc/15/58/01/374155801.db2.gz YMOXVXKXTLGRCG-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000181689145 374155805 /nfs/dbraw/zinc/15/58/05/374155805.db2.gz YMOXVXKXTLGRCG-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309734343 374194217 /nfs/dbraw/zinc/19/42/17/374194217.db2.gz QDIRNDDPCSGXTP-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309734343 374194223 /nfs/dbraw/zinc/19/42/23/374194223.db2.gz QDIRNDDPCSGXTP-HYVNUMGLSA-N 2 2 258.409 3.039 20 0 CGADLP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309768524 374197285 /nfs/dbraw/zinc/19/72/85/374197285.db2.gz AKCNHLLFNBOJCZ-VVBDHPJYSA-N 2 2 258.409 3.038 20 0 CGADLP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309768524 374197288 /nfs/dbraw/zinc/19/72/88/374197288.db2.gz AKCNHLLFNBOJCZ-VVBDHPJYSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000309863705 374202020 /nfs/dbraw/zinc/20/20/20/374202020.db2.gz DXBDCLHYFMYCOI-GRDNDAEWSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000309863705 374202025 /nfs/dbraw/zinc/20/20/25/374202025.db2.gz DXBDCLHYFMYCOI-GRDNDAEWSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961261 374203425 /nfs/dbraw/zinc/20/34/25/374203425.db2.gz YZETWQUSIOFTRW-KEYYUXOJSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961261 374203430 /nfs/dbraw/zinc/20/34/30/374203430.db2.gz YZETWQUSIOFTRW-KEYYUXOJSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccncc1 ZINC000182174016 374229618 /nfs/dbraw/zinc/22/96/18/374229618.db2.gz LMLIZJJIEFGWLN-CVEARBPZSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccncc1 ZINC000182174016 374229622 /nfs/dbraw/zinc/22/96/22/374229622.db2.gz LMLIZJJIEFGWLN-CVEARBPZSA-N 2 2 283.419 3.253 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706686 374253589 /nfs/dbraw/zinc/25/35/89/374253589.db2.gz RGCQDPAKNATSLT-DOTOQJQBSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706686 374253597 /nfs/dbraw/zinc/25/35/97/374253597.db2.gz RGCQDPAKNATSLT-DOTOQJQBSA-N 2 2 258.409 3.272 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000312023073 374266274 /nfs/dbraw/zinc/26/62/74/374266274.db2.gz VSTKQTPYJZPUHL-XIRDDKMYSA-N 2 2 260.425 3.110 20 0 CGADLP CC1CC[NH+](CC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000311338599 374239757 /nfs/dbraw/zinc/23/97/57/374239757.db2.gz HHRXPGXEQRSZIG-UHFFFAOYSA-N 2 2 264.457 3.277 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)[nH+]c1 ZINC000314614768 374320099 /nfs/dbraw/zinc/32/00/99/374320099.db2.gz VTUYPRVTAWSCJZ-DQPZFDDXSA-N 2 2 285.435 3.219 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000315319919 374328181 /nfs/dbraw/zinc/32/81/81/374328181.db2.gz LXNDXIBAELVHFW-NXHRZFHOSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319877748 374347991 /nfs/dbraw/zinc/34/79/91/374347991.db2.gz HZDOFCDDGINSDX-ZMSDIMECSA-N 2 2 299.418 3.074 20 0 CGADLP CCC1([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000453273975 374384911 /nfs/dbraw/zinc/38/49/11/374384911.db2.gz ALBCWUMVUAGMES-ZBFHGGJFSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000453273975 374384913 /nfs/dbraw/zinc/38/49/13/374384913.db2.gz ALBCWUMVUAGMES-ZBFHGGJFSA-N 2 2 258.409 3.039 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378785 374466020 /nfs/dbraw/zinc/46/60/20/374466020.db2.gz AFERGWNPCUVSRC-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2=CCCC2)C1 ZINC000453378785 374466028 /nfs/dbraw/zinc/46/60/28/374466028.db2.gz AFERGWNPCUVSRC-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000331405142 374530050 /nfs/dbraw/zinc/53/00/50/374530050.db2.gz DZBXRXRACOLHGH-NWDGAFQWSA-N 2 2 281.469 3.190 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334215575 206202876 /nfs/dbraw/zinc/20/28/76/206202876.db2.gz UHOHNPOJUSRJKI-ZDUSSCGKSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334215575 206202880 /nfs/dbraw/zinc/20/28/80/206202880.db2.gz UHOHNPOJUSRJKI-ZDUSSCGKSA-N 2 2 275.783 3.019 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459743367 374819498 /nfs/dbraw/zinc/81/94/98/374819498.db2.gz DFFASZAYIRIHFJ-XBFCOCLRSA-N 2 2 290.373 3.181 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000187582618 375048647 /nfs/dbraw/zinc/04/86/47/375048647.db2.gz ZDHHZLFOWAIKES-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482884936 375173074 /nfs/dbraw/zinc/17/30/74/375173074.db2.gz GHUAMDKWVAHWQI-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482884936 375173080 /nfs/dbraw/zinc/17/30/80/375173080.db2.gz GHUAMDKWVAHWQI-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000474606131 375119517 /nfs/dbraw/zinc/11/95/17/375119517.db2.gz JZVAZRHVMIZZTM-PMPSAXMXSA-N 2 2 263.429 3.324 20 0 CGADLP C[N@H+](CC1CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488009185 375294637 /nfs/dbraw/zinc/29/46/37/375294637.db2.gz MXGAONWCPLQBNC-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP C[N@@H+](CC1CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488009185 375294641 /nfs/dbraw/zinc/29/46/41/375294641.db2.gz MXGAONWCPLQBNC-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000189069481 375317524 /nfs/dbraw/zinc/31/75/24/375317524.db2.gz RCJWEPFSMLZAKU-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069481 375317527 /nfs/dbraw/zinc/31/75/27/375317527.db2.gz RCJWEPFSMLZAKU-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069481 375317533 /nfs/dbraw/zinc/31/75/33/375317533.db2.gz RCJWEPFSMLZAKU-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069481 375317536 /nfs/dbraw/zinc/31/75/36/375317536.db2.gz RCJWEPFSMLZAKU-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335566517 375330991 /nfs/dbraw/zinc/33/09/91/375330991.db2.gz USSLIFTUIFQABF-MSOLQXFVSA-N 3 2 293.499 3.033 20 0 CGADLP C[C@@H](C[NH2+]Cc1csc(-c2ccccc2)n1)C[NH+](C)C ZINC000491594951 375336458 /nfs/dbraw/zinc/33/64/58/375336458.db2.gz VRNOCVXIRXBLCI-ZDUSSCGKSA-N 2 2 289.448 3.097 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189373277 375377276 /nfs/dbraw/zinc/37/72/76/375377276.db2.gz YNJZAORGQSZJNP-KGLIPLIRSA-N 2 2 284.806 3.442 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335781525 375425832 /nfs/dbraw/zinc/42/58/32/375425832.db2.gz CSJLQVNTBYKVHW-ZBCRRDGASA-N 2 2 274.408 3.264 20 0 CGADLP C[NH+]1CCC(Nc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190299471 375492627 /nfs/dbraw/zinc/49/26/27/375492627.db2.gz HOEBKUCXSGJQKU-KBXCAEBGSA-N 2 2 285.435 3.181 20 0 CGADLP C[NH+]1CCC(Nc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190299471 375492636 /nfs/dbraw/zinc/49/26/36/375492636.db2.gz HOEBKUCXSGJQKU-KBXCAEBGSA-N 2 2 285.435 3.181 20 0 CGADLP Fc1ccc2cc[nH+]c(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000335901833 375526956 /nfs/dbraw/zinc/52/69/56/375526956.db2.gz DPTTYULRHUDSHL-UHFFFAOYSA-N 2 2 285.366 3.413 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000119102983 542004800 /nfs/dbraw/zinc/00/48/00/542004800.db2.gz CDWIAYKONYWSFC-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCN(C)c1ccc(CNc2ccc(C)[nH+]c2C)c[nH+]1 ZINC000191556350 375639437 /nfs/dbraw/zinc/63/94/37/375639437.db2.gz NOTGMWKKBSSXNB-UHFFFAOYSA-N 2 2 270.380 3.162 20 0 CGADLP Cc1[nH+]cc(CNc2cc[nH+]cc2F)n1-c1ccccc1 ZINC000192149701 375703169 /nfs/dbraw/zinc/70/31/69/375703169.db2.gz BNCPUBJIXOYDMU-UHFFFAOYSA-N 2 2 282.322 3.327 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000507472703 375705187 /nfs/dbraw/zinc/70/51/87/375705187.db2.gz RTJOFUCVLDWWTD-CQSZACIVSA-N 2 2 294.402 3.185 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([NH2+]CCCCn1cc[nH+]c1)C2 ZINC000126633340 542040942 /nfs/dbraw/zinc/04/09/42/542040942.db2.gz XXRZYQUVNPZNAI-MRXNPFEDSA-N 2 2 289.810 3.074 20 0 CGADLP FC1(F)CCCC[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000336195996 375756903 /nfs/dbraw/zinc/75/69/03/375756903.db2.gz JTUOYHMPEFRKRG-ZDUSSCGKSA-N 2 2 283.366 3.346 20 0 CGADLP CCN(CC)c1ccc(CNc2cc[nH+]cc2C)c[nH+]1 ZINC000192500992 375757156 /nfs/dbraw/zinc/75/71/56/375757156.db2.gz ZRAYRKULSQATGI-UHFFFAOYSA-N 2 2 270.380 3.243 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccnn1C ZINC000192913788 375801941 /nfs/dbraw/zinc/80/19/41/375801941.db2.gz BSQVKICTDVGLQO-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CC3Cc4ccccc4C3)CC2)[nH]1 ZINC000514697916 375805771 /nfs/dbraw/zinc/80/57/71/375805771.db2.gz SUUYXFIYZLMMOJ-UHFFFAOYSA-N 2 2 281.403 3.004 20 0 CGADLP COc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1C ZINC000193673908 375908124 /nfs/dbraw/zinc/90/81/24/375908124.db2.gz PPIXOXQBXHJGRE-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000336699375 375909293 /nfs/dbraw/zinc/90/92/93/375909293.db2.gz CUFVXZZQWRHDDK-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000336699375 375909298 /nfs/dbraw/zinc/90/92/98/375909298.db2.gz CUFVXZZQWRHDDK-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP C[NH+](C)C1(C[NH2+]C(C2CCC2)C2CCC2)CCC1 ZINC000336791127 375940898 /nfs/dbraw/zinc/94/08/98/375940898.db2.gz ZLRMNBLPOFMKIW-UHFFFAOYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000336832453 375995007 /nfs/dbraw/zinc/99/50/07/375995007.db2.gz FIHIXENJGZJSDB-XFKAJCMBSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000336832453 375995017 /nfs/dbraw/zinc/99/50/17/375995017.db2.gz FIHIXENJGZJSDB-XFKAJCMBSA-N 2 2 270.420 3.451 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000336824333 375982305 /nfs/dbraw/zinc/98/23/05/375982305.db2.gz UGGWZFGLEMWDSI-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000336824333 375982311 /nfs/dbraw/zinc/98/23/11/375982311.db2.gz UGGWZFGLEMWDSI-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)F ZINC000337194812 376129729 /nfs/dbraw/zinc/12/97/29/376129729.db2.gz ANVJNMSWXJOZGU-UHFFFAOYSA-N 2 2 298.377 3.206 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)F ZINC000337194812 376129736 /nfs/dbraw/zinc/12/97/36/376129736.db2.gz ANVJNMSWXJOZGU-UHFFFAOYSA-N 2 2 298.377 3.206 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072431 376156559 /nfs/dbraw/zinc/15/65/59/376156559.db2.gz LBMSQNVLPUHMNN-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072431 376156563 /nfs/dbraw/zinc/15/65/63/376156563.db2.gz LBMSQNVLPUHMNN-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000337249573 376163513 /nfs/dbraw/zinc/16/35/13/376163513.db2.gz JLUNWTSQYLZYAW-SOLBZPMBSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000337249573 376163515 /nfs/dbraw/zinc/16/35/15/376163515.db2.gz JLUNWTSQYLZYAW-SOLBZPMBSA-N 2 2 290.451 3.053 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000337259460 376170655 /nfs/dbraw/zinc/17/06/55/376170655.db2.gz PCIBAMRMMVQMBR-NVXWUHKLSA-N 2 2 287.451 3.182 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536690919 376123864 /nfs/dbraw/zinc/12/38/64/376123864.db2.gz GWPLVZIGACNIBL-SSOQLKFYSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536690919 376123869 /nfs/dbraw/zinc/12/38/69/376123869.db2.gz GWPLVZIGACNIBL-SSOQLKFYSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337385514 376217339 /nfs/dbraw/zinc/21/73/39/376217339.db2.gz LAZVLWLAQRCLLR-BBWFWOEESA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337385514 376217342 /nfs/dbraw/zinc/21/73/42/376217342.db2.gz LAZVLWLAQRCLLR-BBWFWOEESA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(OC)c1 ZINC000221923749 376222667 /nfs/dbraw/zinc/22/26/67/376222667.db2.gz JDYKWDVTLDCTBE-AWEZNQCLSA-N 2 2 294.439 3.085 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(OC)c1 ZINC000221923749 376222674 /nfs/dbraw/zinc/22/26/74/376222674.db2.gz JDYKWDVTLDCTBE-AWEZNQCLSA-N 2 2 294.439 3.085 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000221913259 376223509 /nfs/dbraw/zinc/22/35/09/376223509.db2.gz QAMJPTPXXHDEKU-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000221913259 376223516 /nfs/dbraw/zinc/22/35/16/376223516.db2.gz QAMJPTPXXHDEKU-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000222847419 376242448 /nfs/dbraw/zinc/24/24/48/376242448.db2.gz IPNIDLSZUWMHGD-GHMZBOCLSA-N 2 2 284.856 3.159 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000222847419 376242458 /nfs/dbraw/zinc/24/24/58/376242458.db2.gz IPNIDLSZUWMHGD-GHMZBOCLSA-N 2 2 284.856 3.159 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554453 376247349 /nfs/dbraw/zinc/24/73/49/376247349.db2.gz TUZOKYAULDBNBI-WBMJQRKESA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554453 376247353 /nfs/dbraw/zinc/24/73/53/376247353.db2.gz TUZOKYAULDBNBI-WBMJQRKESA-N 2 2 290.838 3.401 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000338262386 376300408 /nfs/dbraw/zinc/30/04/08/376300408.db2.gz FWDYIBBOKXEXEF-ZDUSSCGKSA-N 2 2 266.454 3.399 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000338262386 376300414 /nfs/dbraw/zinc/30/04/14/376300414.db2.gz FWDYIBBOKXEXEF-ZDUSSCGKSA-N 2 2 266.454 3.399 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)COC)ccc2n1C1CC1 ZINC000338444161 376377572 /nfs/dbraw/zinc/37/75/72/376377572.db2.gz HQBYRICVKVEIAC-GFCCVEGCSA-N 2 2 287.407 3.058 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753223 376394188 /nfs/dbraw/zinc/39/41/88/376394188.db2.gz CJBIOIMKSYKBLM-YOEHRIQHSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753223 376394190 /nfs/dbraw/zinc/39/41/90/376394190.db2.gz CJBIOIMKSYKBLM-YOEHRIQHSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752840 376394469 /nfs/dbraw/zinc/39/44/69/376394469.db2.gz KCBITLOJTMZZLD-MAUKXSAKSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752840 376394472 /nfs/dbraw/zinc/39/44/72/376394472.db2.gz KCBITLOJTMZZLD-MAUKXSAKSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753221 376394492 /nfs/dbraw/zinc/39/44/92/376394492.db2.gz CJBIOIMKSYKBLM-RHSMWYFYSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753221 376394493 /nfs/dbraw/zinc/39/44/93/376394493.db2.gz CJBIOIMKSYKBLM-RHSMWYFYSA-N 2 2 270.420 3.354 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227541209 376399046 /nfs/dbraw/zinc/39/90/46/376399046.db2.gz AWOXNOKZRBBWQJ-ZLKJLUDKSA-N 2 2 273.405 3.247 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780845 376530537 /nfs/dbraw/zinc/53/05/37/376530537.db2.gz OLNNFNYXCJFWKS-USXIJHARSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000230766891 376540803 /nfs/dbraw/zinc/54/08/03/376540803.db2.gz ZJGZDUQUSPZRRN-HOTGVXAUSA-N 2 2 263.429 3.468 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702408 376569696 /nfs/dbraw/zinc/56/96/96/376569696.db2.gz VMFZZAAHGHXHDR-NNTXTVRGSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702408 376569708 /nfs/dbraw/zinc/56/97/08/376569708.db2.gz VMFZZAAHGHXHDR-NNTXTVRGSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702408 376569713 /nfs/dbraw/zinc/56/97/13/376569713.db2.gz VMFZZAAHGHXHDR-NNTXTVRGSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702408 376569723 /nfs/dbraw/zinc/56/97/23/376569723.db2.gz VMFZZAAHGHXHDR-NNTXTVRGSA-N 2 2 294.389 3.252 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000232715447 376587450 /nfs/dbraw/zinc/58/74/50/376587450.db2.gz SSUOPFLLEXQHGY-MAUKXSAKSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000232715447 376587459 /nfs/dbraw/zinc/58/74/59/376587459.db2.gz SSUOPFLLEXQHGY-MAUKXSAKSA-N 2 2 274.452 3.499 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000235439557 376641461 /nfs/dbraw/zinc/64/14/61/376641461.db2.gz XMRBZICRUATQBS-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000235439557 376641465 /nfs/dbraw/zinc/64/14/65/376641465.db2.gz XMRBZICRUATQBS-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000543995204 376693710 /nfs/dbraw/zinc/69/37/10/376693710.db2.gz YOSMDIAPFGMEPM-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000543995204 376693719 /nfs/dbraw/zinc/69/37/19/376693719.db2.gz YOSMDIAPFGMEPM-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237336284 376739745 /nfs/dbraw/zinc/73/97/45/376739745.db2.gz YDRNDQISYBMUQD-INIZCTEOSA-N 2 2 295.430 3.444 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157780857 542138750 /nfs/dbraw/zinc/13/87/50/542138750.db2.gz KATRRUMFFFTILH-SJLPKXTDSA-N 2 2 270.420 3.138 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157780857 542138753 /nfs/dbraw/zinc/13/87/53/542138753.db2.gz KATRRUMFFFTILH-SJLPKXTDSA-N 2 2 270.420 3.138 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000245510700 376837670 /nfs/dbraw/zinc/83/76/70/376837670.db2.gz WSPNXJGUGVTBRL-FMKPAKJESA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000245510700 376837673 /nfs/dbraw/zinc/83/76/73/376837673.db2.gz WSPNXJGUGVTBRL-FMKPAKJESA-N 2 2 258.409 3.227 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000556857269 376889641 /nfs/dbraw/zinc/88/96/41/376889641.db2.gz QDQIGVJUFSVFST-SQNIBIBYSA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000556860201 376893032 /nfs/dbraw/zinc/89/30/32/376893032.db2.gz XDXPGZPVEOXJHM-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000557278386 376929675 /nfs/dbraw/zinc/92/96/75/376929675.db2.gz XLLPMXJWIYYLAG-HAYURNKSSA-N 2 2 286.463 3.499 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000557278386 376929683 /nfs/dbraw/zinc/92/96/83/376929683.db2.gz XLLPMXJWIYYLAG-HAYURNKSSA-N 2 2 286.463 3.499 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340224650 376953345 /nfs/dbraw/zinc/95/33/45/376953345.db2.gz DXWFVNSAVODJSM-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340224650 376953354 /nfs/dbraw/zinc/95/33/54/376953354.db2.gz DXWFVNSAVODJSM-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccncc1F ZINC000340244101 376962261 /nfs/dbraw/zinc/96/22/61/376962261.db2.gz DDVUSGLOSQPMMR-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@@H]([NH2+]CC[NH+](C)C)c1ccc(F)c2ccccc21 ZINC000340390173 377030368 /nfs/dbraw/zinc/03/03/68/377030368.db2.gz HYURPNHMBLMGPE-GFCCVEGCSA-N 2 2 260.356 3.191 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+]1CCCC[C@H]1C ZINC000558696747 377033747 /nfs/dbraw/zinc/03/37/47/377033747.db2.gz BLXXJBDTTCGFSH-CWVYHPPDSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+]1CCCC[C@H]1C ZINC000558696747 377033748 /nfs/dbraw/zinc/03/37/48/377033748.db2.gz BLXXJBDTTCGFSH-CWVYHPPDSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699564 377035924 /nfs/dbraw/zinc/03/59/24/377035924.db2.gz XFNTULCCONORJN-OKYOBFRVSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000558699564 377035932 /nfs/dbraw/zinc/03/59/32/377035932.db2.gz XFNTULCCONORJN-OKYOBFRVSA-N 2 2 284.447 3.429 20 0 CGADLP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000559359779 377084965 /nfs/dbraw/zinc/08/49/65/377084965.db2.gz RWZOQASXRHXQEL-MSOLQXFVSA-N 2 2 290.426 3.174 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000247074449 377155749 /nfs/dbraw/zinc/15/57/49/377155749.db2.gz OMFOJCWXFWMWGG-HALDLXJZSA-N 2 2 271.408 3.291 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000247156688 377169088 /nfs/dbraw/zinc/16/90/88/377169088.db2.gz RTMVSVTZHWVDAK-RWMBFGLXSA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000247156688 377169096 /nfs/dbraw/zinc/16/90/96/377169096.db2.gz RTMVSVTZHWVDAK-RWMBFGLXSA-N 2 2 281.469 3.085 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000340678181 377211172 /nfs/dbraw/zinc/21/11/72/377211172.db2.gz HSRMYARUEIRZKM-PBHICJAKSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000340678181 377211179 /nfs/dbraw/zinc/21/11/79/377211179.db2.gz HSRMYARUEIRZKM-PBHICJAKSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247658538 377231033 /nfs/dbraw/zinc/23/10/33/377231033.db2.gz PUKJTTMTQKJQIO-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247658538 377231036 /nfs/dbraw/zinc/23/10/36/377231036.db2.gz PUKJTTMTQKJQIO-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247998958 377255848 /nfs/dbraw/zinc/25/58/48/377255848.db2.gz KEYPZJBZEOVMHD-KCQAQPDRSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247998958 377255856 /nfs/dbraw/zinc/25/58/56/377255856.db2.gz KEYPZJBZEOVMHD-KCQAQPDRSA-N 2 2 292.471 3.080 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562058972 377272214 /nfs/dbraw/zinc/27/22/14/377272214.db2.gz YNONARYJHVESAO-FCLVOEFKSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000562058972 377272223 /nfs/dbraw/zinc/27/22/23/377272223.db2.gz YNONARYJHVESAO-FCLVOEFKSA-N 2 2 284.447 3.285 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccco1 ZINC000562962880 377382478 /nfs/dbraw/zinc/38/24/78/377382478.db2.gz XHFULXSEKBENKL-KSSFIOAISA-N 2 2 286.419 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000563350494 377447098 /nfs/dbraw/zinc/44/70/98/377447098.db2.gz OOVYNMPWMZKDAI-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000563350494 377447106 /nfs/dbraw/zinc/44/71/06/377447106.db2.gz OOVYNMPWMZKDAI-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP Clc1cccc(CC[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000563094174 377399854 /nfs/dbraw/zinc/39/98/54/377399854.db2.gz DKIDJFBZPSQGHX-UHFFFAOYSA-N 2 2 277.799 3.149 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000313261339 249089623 /nfs/dbraw/zinc/08/96/23/249089623.db2.gz ACYJWTIUWYNJHM-LLVKDONJSA-N 2 2 297.324 3.332 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc2ccccc2o1 ZINC000313249803 249089822 /nfs/dbraw/zinc/08/98/22/249089822.db2.gz FFGMXDNPXFDSLF-GFCCVEGCSA-N 2 2 269.348 3.060 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312597485 249081192 /nfs/dbraw/zinc/08/11/92/249081192.db2.gz HOLJZURFCKTPSA-QMMMGPOBSA-N 2 2 290.219 3.430 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000250061094 377547996 /nfs/dbraw/zinc/54/79/96/377547996.db2.gz NACVBHUPVZWDNT-RUGDWHBFSA-N 2 2 297.402 3.090 20 0 CGADLP CCCCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000469993535 249165967 /nfs/dbraw/zinc/16/59/67/249165967.db2.gz QFZJAIWLFKYDSY-UHFFFAOYSA-N 2 2 290.451 3.439 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000514790101 249188625 /nfs/dbraw/zinc/18/86/25/249188625.db2.gz KMMZQQDUVRTYGI-UHFFFAOYSA-N 2 2 293.480 3.375 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000516770705 249242825 /nfs/dbraw/zinc/24/28/25/249242825.db2.gz IUJDZAFPJHYKQK-AWEZNQCLSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000516770705 249242828 /nfs/dbraw/zinc/24/28/28/249242828.db2.gz IUJDZAFPJHYKQK-AWEZNQCLSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000518331870 249279272 /nfs/dbraw/zinc/27/92/72/249279272.db2.gz MSTVXKVLMFWVQF-ZLPCBKJTSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000518331870 249279275 /nfs/dbraw/zinc/27/92/75/249279275.db2.gz MSTVXKVLMFWVQF-ZLPCBKJTSA-N 2 2 272.436 3.038 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000573962053 377599964 /nfs/dbraw/zinc/59/99/64/377599964.db2.gz MTWOSTPDYFRTHF-UHFFFAOYSA-N 2 2 280.799 3.470 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000573962053 377599970 /nfs/dbraw/zinc/59/99/70/377599970.db2.gz MTWOSTPDYFRTHF-UHFFFAOYSA-N 2 2 280.799 3.470 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180098317 542205450 /nfs/dbraw/zinc/20/54/50/542205450.db2.gz MMIAHDCQLFVJNO-YOEHRIQHSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180098317 542205454 /nfs/dbraw/zinc/20/54/54/542205454.db2.gz MMIAHDCQLFVJNO-YOEHRIQHSA-N 2 2 298.434 3.033 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000180451470 542210981 /nfs/dbraw/zinc/21/09/81/542210981.db2.gz RIKNQYPAMQFMTH-ZDUSSCGKSA-N 2 2 286.423 3.021 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000180451470 542210986 /nfs/dbraw/zinc/21/09/86/542210986.db2.gz RIKNQYPAMQFMTH-ZDUSSCGKSA-N 2 2 286.423 3.021 20 0 CGADLP CCc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000574211607 377635446 /nfs/dbraw/zinc/63/54/46/377635446.db2.gz YHCNWGNCTRKWFF-UHFFFAOYSA-N 2 2 269.392 3.072 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342668606 377723153 /nfs/dbraw/zinc/72/31/53/377723153.db2.gz OPTXKHNKDNAKGB-PVAVHDDUSA-N 2 2 299.418 3.107 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000342706621 377746048 /nfs/dbraw/zinc/74/60/48/377746048.db2.gz IVWICYSNNQJNSH-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000342706621 377746056 /nfs/dbraw/zinc/74/60/56/377746056.db2.gz IVWICYSNNQJNSH-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP COc1ccccc1C[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261548152 377815997 /nfs/dbraw/zinc/81/59/97/377815997.db2.gz NEWGAQJUXVFXHA-MRXNPFEDSA-N 2 2 298.430 3.087 20 0 CGADLP COc1ccccc1C[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261548152 377816003 /nfs/dbraw/zinc/81/60/03/377816003.db2.gz NEWGAQJUXVFXHA-MRXNPFEDSA-N 2 2 298.430 3.087 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000342820794 377818188 /nfs/dbraw/zinc/81/81/88/377818188.db2.gz BUBRMGBERDJCMB-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP c1ccc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000261560396 377818377 /nfs/dbraw/zinc/81/83/77/377818377.db2.gz ZWAQPPKRLJWSCF-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000343092668 377899327 /nfs/dbraw/zinc/89/93/27/377899327.db2.gz DPSPSHCLCZEKDR-OAHLLOKOSA-N 2 2 275.783 3.204 20 0 CGADLP Fc1ccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000342916975 377859205 /nfs/dbraw/zinc/85/92/05/377859205.db2.gz LZGFTSIWUZLGMK-HNNXBMFYSA-N 2 2 295.361 3.463 20 0 CGADLP Fc1ccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000342916975 377859210 /nfs/dbraw/zinc/85/92/10/377859210.db2.gz LZGFTSIWUZLGMK-HNNXBMFYSA-N 2 2 295.361 3.463 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261838707 377859718 /nfs/dbraw/zinc/85/97/18/377859718.db2.gz UFYKXQSWGUNGPM-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261838707 377859721 /nfs/dbraw/zinc/85/97/21/377859721.db2.gz UFYKXQSWGUNGPM-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP Cc1cccc(CCCNc2cc[nH+]c3ccccc23)[nH+]1 ZINC000343224796 377933651 /nfs/dbraw/zinc/93/36/51/377933651.db2.gz RSYXUESDQGPHBD-UHFFFAOYSA-N 2 2 277.371 3.405 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000343598440 378034042 /nfs/dbraw/zinc/03/40/42/378034042.db2.gz LMXRVVOZBNFLEP-UHFFFAOYSA-N 2 2 292.471 3.077 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000343598440 378034048 /nfs/dbraw/zinc/03/40/48/378034048.db2.gz LMXRVVOZBNFLEP-UHFFFAOYSA-N 2 2 292.471 3.077 20 0 CGADLP CSCCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000343656999 378056314 /nfs/dbraw/zinc/05/63/14/378056314.db2.gz KCFOFFFFIFMPOS-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP CSCCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000343656999 378056323 /nfs/dbraw/zinc/05/63/23/378056323.db2.gz KCFOFFFFIFMPOS-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000578679196 378091769 /nfs/dbraw/zinc/09/17/69/378091769.db2.gz DXMYGYBFFCXXHO-KDOFPFPSSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268746904 378101722 /nfs/dbraw/zinc/10/17/22/378101722.db2.gz FZHIBNBICVZUJI-CQSZACIVSA-N 2 2 257.381 3.066 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000580089501 378223600 /nfs/dbraw/zinc/22/36/00/378223600.db2.gz ITYZOTNBHLCBET-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000580089501 378223606 /nfs/dbraw/zinc/22/36/06/378223606.db2.gz ITYZOTNBHLCBET-KRWDZBQOSA-N 2 2 283.419 3.151 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)oc21 ZINC000269335911 378208476 /nfs/dbraw/zinc/20/84/76/378208476.db2.gz OZIRWVPPGZOXGH-CHWSQXEVSA-N 2 2 299.374 3.377 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000579391684 378157369 /nfs/dbraw/zinc/15/73/69/378157369.db2.gz QPWJXPICAQJUAM-LBPRGKRZSA-N 2 2 287.432 3.229 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000344113755 378158363 /nfs/dbraw/zinc/15/83/63/378158363.db2.gz MOZGQMMFXVSJHC-FGTMMUONSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000344113755 378158371 /nfs/dbraw/zinc/15/83/71/378158371.db2.gz MOZGQMMFXVSJHC-FGTMMUONSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000344083171 378159153 /nfs/dbraw/zinc/15/91/53/378159153.db2.gz ZYVNLFSFXATBEV-JJTUDDRGSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000344083171 378159157 /nfs/dbraw/zinc/15/91/57/378159157.db2.gz ZYVNLFSFXATBEV-JJTUDDRGSA-N 2 2 294.483 3.043 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000269867474 378275672 /nfs/dbraw/zinc/27/56/72/378275672.db2.gz LJMBBIDWQRMXKB-INIZCTEOSA-N 2 2 292.373 3.169 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000580782087 378257936 /nfs/dbraw/zinc/25/79/36/378257936.db2.gz SWWQDOWFKHPQQO-YJBOKZPZSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000580782087 378257941 /nfs/dbraw/zinc/25/79/41/378257941.db2.gz SWWQDOWFKHPQQO-YJBOKZPZSA-N 2 2 295.430 3.015 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583974150 378362736 /nfs/dbraw/zinc/36/27/36/378362736.db2.gz PVFZHJSMEYYUNZ-AAEUAGOBSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000583974150 378362742 /nfs/dbraw/zinc/36/27/42/378362742.db2.gz PVFZHJSMEYYUNZ-AAEUAGOBSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345689530 378344805 /nfs/dbraw/zinc/34/48/05/378344805.db2.gz AGDIALNAFLWYIA-ZBFHGGJFSA-N 2 2 291.439 3.184 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000270842236 378404303 /nfs/dbraw/zinc/40/43/03/378404303.db2.gz NWNHWSPLFCXQFJ-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000270842236 378404310 /nfs/dbraw/zinc/40/43/10/378404310.db2.gz NWNHWSPLFCXQFJ-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000270908916 378412574 /nfs/dbraw/zinc/41/25/74/378412574.db2.gz SNHZINJOJVFMKL-RHSMWYFYSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000270908916 378412579 /nfs/dbraw/zinc/41/25/79/378412579.db2.gz SNHZINJOJVFMKL-RHSMWYFYSA-N 2 2 269.392 3.070 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCC1 ZINC000346129229 378473507 /nfs/dbraw/zinc/47/35/07/378473507.db2.gz GKGIQURHCAQCBE-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCC1 ZINC000346129229 378473514 /nfs/dbraw/zinc/47/35/14/378473514.db2.gz GKGIQURHCAQCBE-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@@H](C1CC1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164540 378486471 /nfs/dbraw/zinc/48/64/71/378486471.db2.gz DBLQKQRNCBONIN-NSHDSACASA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164540 378486473 /nfs/dbraw/zinc/48/64/73/378486473.db2.gz DBLQKQRNCBONIN-NSHDSACASA-N 2 2 261.394 3.164 20 0 CGADLP C[N@@H+](Cc1cscn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346165841 378486811 /nfs/dbraw/zinc/48/68/11/378486811.db2.gz FKFKGCDILPXEDH-UHFFFAOYSA-N 2 2 290.417 3.022 20 0 CGADLP C[N@H+](Cc1cscn1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346165841 378486814 /nfs/dbraw/zinc/48/68/14/378486814.db2.gz FKFKGCDILPXEDH-UHFFFAOYSA-N 2 2 290.417 3.022 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000346201376 378502267 /nfs/dbraw/zinc/50/22/67/378502267.db2.gz NETZVEWJEAWQBV-VXGBXAGGSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000346201376 378502270 /nfs/dbraw/zinc/50/22/70/378502270.db2.gz NETZVEWJEAWQBV-VXGBXAGGSA-N 2 2 261.394 3.164 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000272045685 378551957 /nfs/dbraw/zinc/55/19/57/378551957.db2.gz YPGTVEHNNBHJCI-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CCC[N@H+]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000272045685 378551960 /nfs/dbraw/zinc/55/19/60/378551960.db2.gz YPGTVEHNNBHJCI-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP CC[C@@H](COC)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346594951 378638361 /nfs/dbraw/zinc/63/83/61/378638361.db2.gz MRJIHMVSENRICT-ZWKOTPCHSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@@H](COC)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346594951 378638365 /nfs/dbraw/zinc/63/83/65/378638365.db2.gz MRJIHMVSENRICT-ZWKOTPCHSA-N 2 2 292.467 3.158 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272333791 378614489 /nfs/dbraw/zinc/61/44/89/378614489.db2.gz XBWKKHQJPWITNU-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP C(C1CCSCC1)[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000637995992 378661603 /nfs/dbraw/zinc/66/16/03/378661603.db2.gz KVFDXSYAIVCZON-INIZCTEOSA-N 2 2 282.497 3.080 20 0 CGADLP C(C1CCSCC1)[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000637995992 378661607 /nfs/dbraw/zinc/66/16/07/378661607.db2.gz KVFDXSYAIVCZON-INIZCTEOSA-N 2 2 282.497 3.080 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000346695461 378678241 /nfs/dbraw/zinc/67/82/41/378678241.db2.gz CATJOEUYZQLFBE-MLGOLLRUSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000346695461 378678250 /nfs/dbraw/zinc/67/82/50/378678250.db2.gz CATJOEUYZQLFBE-MLGOLLRUSA-N 2 2 297.446 3.500 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1(C)C ZINC000346696068 378678925 /nfs/dbraw/zinc/67/89/25/378678925.db2.gz KZKBOYBAKQJMJT-YQFWSFKMSA-N 2 2 294.483 3.041 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1(C)C ZINC000346696068 378678932 /nfs/dbraw/zinc/67/89/32/378678932.db2.gz KZKBOYBAKQJMJT-YQFWSFKMSA-N 2 2 294.483 3.041 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@@H+]1C1CC1 ZINC000346697744 378680830 /nfs/dbraw/zinc/68/08/30/378680830.db2.gz GOKJYPHTXPSREA-LSDHHAIUSA-N 2 2 288.435 3.059 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@H+]1C1CC1 ZINC000346697744 378680834 /nfs/dbraw/zinc/68/08/34/378680834.db2.gz GOKJYPHTXPSREA-LSDHHAIUSA-N 2 2 288.435 3.059 20 0 CGADLP c1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000346741953 378686468 /nfs/dbraw/zinc/68/64/68/378686468.db2.gz JUGZCQGOWBVRAA-UHFFFAOYSA-N 2 2 293.414 3.329 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000638084887 378689643 /nfs/dbraw/zinc/68/96/43/378689643.db2.gz HGTVCXHSCACMKB-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP FC(F)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000638086441 378691955 /nfs/dbraw/zinc/69/19/55/378691955.db2.gz RMOPIVUOLVCLMO-UHFFFAOYSA-N 2 2 292.333 3.122 20 0 CGADLP C([C@@H]1CCC[N@H+]1CC1CCSCC1)[NH+]1CCCCC1 ZINC000637959112 378647306 /nfs/dbraw/zinc/64/73/06/378647306.db2.gz CDGYVVVWRGKXTQ-INIZCTEOSA-N 2 2 282.497 3.080 20 0 CGADLP C([C@@H]1CCC[N@@H+]1CC1CCSCC1)[NH+]1CCCCC1 ZINC000637959112 378647310 /nfs/dbraw/zinc/64/73/10/378647310.db2.gz CDGYVVVWRGKXTQ-INIZCTEOSA-N 2 2 282.497 3.080 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638262125 378748596 /nfs/dbraw/zinc/74/85/96/378748596.db2.gz LXEMZCXSLUWVLT-QGZVFWFLSA-N 2 2 298.434 3.353 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638298476 378762194 /nfs/dbraw/zinc/76/21/94/378762194.db2.gz RPYNYQKEQCAWJH-OCCSQVGLSA-N 2 2 289.448 3.218 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000348088972 378786461 /nfs/dbraw/zinc/78/64/61/378786461.db2.gz SYOWSERKFVUOLD-MRXNPFEDSA-N 2 2 290.476 3.136 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000348088972 378786467 /nfs/dbraw/zinc/78/64/67/378786467.db2.gz SYOWSERKFVUOLD-MRXNPFEDSA-N 2 2 290.476 3.136 20 0 CGADLP Cc1cc(C)[nH+]c(NCCCc2c[nH+]ccc2C)c1 ZINC000348092397 378788102 /nfs/dbraw/zinc/78/81/02/378788102.db2.gz OYFUXGWWWQCLTN-UHFFFAOYSA-N 2 2 255.365 3.447 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000348134497 378806631 /nfs/dbraw/zinc/80/66/31/378806631.db2.gz JCKFYMGSJUEQNH-GOSISDBHSA-N 2 2 281.403 3.459 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC000346881602 218046646 /nfs/dbraw/zinc/04/66/46/218046646.db2.gz OAJBLRQCZMZZLT-CHWSQXEVSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261482 378870655 /nfs/dbraw/zinc/87/06/55/378870655.db2.gz MVKWSEGCPNVPGG-BBRMVZONSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261482 378870663 /nfs/dbraw/zinc/87/06/63/378870663.db2.gz MVKWSEGCPNVPGG-BBRMVZONSA-N 2 2 293.480 3.217 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348261345 378870841 /nfs/dbraw/zinc/87/08/41/378870841.db2.gz PIIZAQDBPACJKG-ROUUACIJSA-N 2 2 266.388 3.326 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)O[C@H]2CCC[C@@H]21 ZINC000348285538 378886272 /nfs/dbraw/zinc/88/62/72/378886272.db2.gz RCKCQBHISQSMGL-IRXDYDNUSA-N 2 2 288.435 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)O[C@H]2CCC[C@@H]21 ZINC000348285538 378886279 /nfs/dbraw/zinc/88/62/79/378886279.db2.gz RCKCQBHISQSMGL-IRXDYDNUSA-N 2 2 288.435 3.355 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000346989896 218081545 /nfs/dbraw/zinc/08/15/45/218081545.db2.gz HKNKLWRUTDUGNT-RDJZCZTQSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000346989896 218081547 /nfs/dbraw/zinc/08/15/47/218081547.db2.gz HKNKLWRUTDUGNT-RDJZCZTQSA-N 2 2 295.430 3.015 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000348333888 378914043 /nfs/dbraw/zinc/91/40/43/378914043.db2.gz CKFRAROMNQWWJZ-GJZGRUSLSA-N 2 2 298.377 3.463 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000347000954 218087854 /nfs/dbraw/zinc/08/78/54/218087854.db2.gz UXZHJKMNJFMBGT-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000347060398 218107481 /nfs/dbraw/zinc/10/74/81/218107481.db2.gz YBAJHOPEROIEFW-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC000347060398 218107483 /nfs/dbraw/zinc/10/74/83/218107483.db2.gz YBAJHOPEROIEFW-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000347023848 218097118 /nfs/dbraw/zinc/09/71/18/218097118.db2.gz QCBOTZZASVWXJZ-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000347023848 218097121 /nfs/dbraw/zinc/09/71/21/218097121.db2.gz QCBOTZZASVWXJZ-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347123965 218129738 /nfs/dbraw/zinc/12/97/38/218129738.db2.gz IILWGNCNZUTVAV-HNNXBMFYSA-N 2 2 262.397 3.361 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347123965 218129740 /nfs/dbraw/zinc/12/97/40/218129740.db2.gz IILWGNCNZUTVAV-HNNXBMFYSA-N 2 2 262.397 3.361 20 0 CGADLP C[C@@H]([NH2+]CC1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000639055669 378989495 /nfs/dbraw/zinc/98/94/95/378989495.db2.gz ZTVGVTQHOSWYOW-PBHICJAKSA-N 2 2 292.492 3.411 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370263130 378999560 /nfs/dbraw/zinc/99/95/60/378999560.db2.gz VBVCGUNSNHYZDE-SOFGYWHQSA-N 2 2 297.402 3.031 20 0 CGADLP c1c2ccccc2oc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347126339 218131560 /nfs/dbraw/zinc/13/15/60/218131560.db2.gz SXTSKXIEXPEXPB-INIZCTEOSA-N 2 2 294.354 3.481 20 0 CGADLP c1c2ccccc2oc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347126339 218131563 /nfs/dbraw/zinc/13/15/63/218131563.db2.gz SXTSKXIEXPEXPB-INIZCTEOSA-N 2 2 294.354 3.481 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353699411 220264211 /nfs/dbraw/zinc/26/42/11/220264211.db2.gz ASDOCGRETXUAKN-CZUORRHYSA-N 2 2 284.403 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353699411 220264217 /nfs/dbraw/zinc/26/42/17/220264217.db2.gz ASDOCGRETXUAKN-CZUORRHYSA-N 2 2 284.403 3.179 20 0 CGADLP Cc1c[nH+]ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000191979191 542262758 /nfs/dbraw/zinc/26/27/58/542262758.db2.gz ISIGZAFEVHFROX-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000277368398 379142710 /nfs/dbraw/zinc/14/27/10/379142710.db2.gz XKXYIIJOIQTRSC-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000277368398 379142715 /nfs/dbraw/zinc/14/27/15/379142715.db2.gz XKXYIIJOIQTRSC-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@H]1C[C@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@@H+]1C ZINC000639211154 379145757 /nfs/dbraw/zinc/14/57/57/379145757.db2.gz RNLFDMXQXWOKRV-SWLSCSKDSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@H]1C[C@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@H+]1C ZINC000639211154 379145767 /nfs/dbraw/zinc/14/57/67/379145767.db2.gz RNLFDMXQXWOKRV-SWLSCSKDSA-N 2 2 259.397 3.244 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000639229099 379169000 /nfs/dbraw/zinc/16/90/00/379169000.db2.gz XQPKOGUWXJQZGO-SUMWQHHRSA-N 2 2 291.439 3.116 20 0 CGADLP CC[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153111 379171230 /nfs/dbraw/zinc/17/12/30/379171230.db2.gz RJQQUQXRJHTFGP-DOTOQJQBSA-N 2 2 283.419 3.403 20 0 CGADLP CC[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153111 379171235 /nfs/dbraw/zinc/17/12/35/379171235.db2.gz RJQQUQXRJHTFGP-DOTOQJQBSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H](c1ccccc1)[NH+](C)C ZINC000349310520 379224988 /nfs/dbraw/zinc/22/49/88/379224988.db2.gz HJBUIZTXZIHXNX-CIRFHOKZSA-N 2 2 290.451 3.083 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCC3(CCC3)C2)[nH+]1 ZINC000373487074 379287450 /nfs/dbraw/zinc/28/74/50/379287450.db2.gz BBAVCMWSSAGNST-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP Clc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373487570 379288621 /nfs/dbraw/zinc/28/86/21/379288621.db2.gz WKGNXEQFPZOMEL-UHFFFAOYSA-N 2 2 278.827 3.447 20 0 CGADLP Cc1ccoc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349365460 379251012 /nfs/dbraw/zinc/25/10/12/379251012.db2.gz IAJMULWLQSPDKS-UHFFFAOYSA-N 2 2 287.407 3.477 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000278200146 379315944 /nfs/dbraw/zinc/31/59/44/379315944.db2.gz IVUBGZDHUBOYSF-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000278200146 379315955 /nfs/dbraw/zinc/31/59/55/379315955.db2.gz IVUBGZDHUBOYSF-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000349627711 379323387 /nfs/dbraw/zinc/32/33/87/379323387.db2.gz DXLRKCFHOHHKAW-CJNGLKHVSA-N 2 2 278.465 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000349627711 379323400 /nfs/dbraw/zinc/32/34/00/379323400.db2.gz DXLRKCFHOHHKAW-CJNGLKHVSA-N 2 2 278.465 3.371 20 0 CGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]C[C@H]2CCSC2)cc1 ZINC000278334595 379353004 /nfs/dbraw/zinc/35/30/04/379353004.db2.gz GQXUKZXXSBXKKZ-WBVHZDCISA-N 2 2 290.476 3.166 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)on1 ZINC000347621085 218293140 /nfs/dbraw/zinc/29/31/40/218293140.db2.gz ZIOLUTNECYMNSL-INIZCTEOSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)on1 ZINC000347621085 218293142 /nfs/dbraw/zinc/29/31/42/218293142.db2.gz ZIOLUTNECYMNSL-INIZCTEOSA-N 2 2 285.391 3.456 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CC2CCCCC2)s1 ZINC000347618991 218293314 /nfs/dbraw/zinc/29/33/14/218293314.db2.gz WDUDSPMQLQSFGS-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CC2CCCCC2)s1 ZINC000347618991 218293316 /nfs/dbraw/zinc/29/33/16/218293316.db2.gz WDUDSPMQLQSFGS-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000639600151 379499938 /nfs/dbraw/zinc/49/99/38/379499938.db2.gz QLDBDRGHLOQRGY-WMLDXEAASA-N 2 2 299.418 3.338 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000279833210 379528867 /nfs/dbraw/zinc/52/88/67/379528867.db2.gz QLNQLGWHOLRKRR-QGZVFWFLSA-N 2 2 299.393 3.454 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccnc1 ZINC000375846241 379515303 /nfs/dbraw/zinc/51/53/03/379515303.db2.gz IDTLREDGRKIEPJ-CVEARBPZSA-N 2 2 284.407 3.287 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266895882 190288486 /nfs/dbraw/zinc/28/84/86/190288486.db2.gz FGIUCQWLNFGINV-INIZCTEOSA-N 2 2 299.418 3.367 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266895882 190288487 /nfs/dbraw/zinc/28/84/87/190288487.db2.gz FGIUCQWLNFGINV-INIZCTEOSA-N 2 2 299.418 3.367 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1F ZINC000376854350 379610417 /nfs/dbraw/zinc/61/04/17/379610417.db2.gz BFRWYSCJTSHRPY-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1F ZINC000376854350 379610429 /nfs/dbraw/zinc/61/04/29/379610429.db2.gz BFRWYSCJTSHRPY-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000350937487 379616580 /nfs/dbraw/zinc/61/65/80/379616580.db2.gz HCDMDZBRCOSCCQ-GJZGRUSLSA-N 2 2 261.413 3.300 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000267206792 190311531 /nfs/dbraw/zinc/31/15/31/190311531.db2.gz PSPROFFKJYDERF-UHFFFAOYSA-N 2 2 262.397 3.085 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000377400091 379671723 /nfs/dbraw/zinc/67/17/23/379671723.db2.gz PBCBEHLXALGZSN-APPDUMDISA-N 2 2 297.333 3.085 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000280529367 379725356 /nfs/dbraw/zinc/72/53/56/379725356.db2.gz RSMVQAIMRKCNHR-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000280529367 379725365 /nfs/dbraw/zinc/72/53/65/379725365.db2.gz RSMVQAIMRKCNHR-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000280529367 379725372 /nfs/dbraw/zinc/72/53/72/379725372.db2.gz RSMVQAIMRKCNHR-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000280529367 379725375 /nfs/dbraw/zinc/72/53/75/379725375.db2.gz RSMVQAIMRKCNHR-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377759516 379733451 /nfs/dbraw/zinc/73/34/51/379733451.db2.gz ZHGSTLDZTQRIEN-KBPBESRZSA-N 2 2 299.418 3.243 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377759516 379733454 /nfs/dbraw/zinc/73/34/54/379733454.db2.gz ZHGSTLDZTQRIEN-KBPBESRZSA-N 2 2 299.418 3.243 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640154368 379735298 /nfs/dbraw/zinc/73/52/98/379735298.db2.gz FXGUPOJZYNRTLK-MRXNPFEDSA-N 2 2 276.330 3.372 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000377803782 379743455 /nfs/dbraw/zinc/74/34/55/379743455.db2.gz ZUQVLCRETUSGJA-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)c1 ZINC000377803782 379743460 /nfs/dbraw/zinc/74/34/60/379743460.db2.gz ZUQVLCRETUSGJA-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352527332 379844941 /nfs/dbraw/zinc/84/49/41/379844941.db2.gz ZAJUWBZNZHIKFC-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352527332 379844943 /nfs/dbraw/zinc/84/49/43/379844943.db2.gz ZAJUWBZNZHIKFC-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1nnc([C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533248 379819457 /nfs/dbraw/zinc/81/94/57/379819457.db2.gz QBOKJRAGUPKMCF-CYBMUJFWSA-N 2 2 296.484 3.105 20 0 CGADLP Cc1nnc([C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)s1 ZINC000640533248 379819461 /nfs/dbraw/zinc/81/94/61/379819461.db2.gz QBOKJRAGUPKMCF-CYBMUJFWSA-N 2 2 296.484 3.105 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC ZINC000352685608 379909227 /nfs/dbraw/zinc/90/92/27/379909227.db2.gz VFXBIAWPARUOMF-RRQGHBQHSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC ZINC000352685608 379909237 /nfs/dbraw/zinc/90/92/37/379909237.db2.gz VFXBIAWPARUOMF-RRQGHBQHSA-N 2 2 288.435 3.219 20 0 CGADLP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307784 379874324 /nfs/dbraw/zinc/87/43/24/379874324.db2.gz AELUFCDOTMWLDF-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307784 379874331 /nfs/dbraw/zinc/87/43/31/379874331.db2.gz AELUFCDOTMWLDF-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000388268057 379883364 /nfs/dbraw/zinc/88/33/64/379883364.db2.gz GAUPJCVXGRHYTO-GLJUWKHASA-N 2 2 299.418 3.336 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000352793076 379963628 /nfs/dbraw/zinc/96/36/28/379963628.db2.gz DCKHELSAVGILOL-GDBMZVCRSA-N 2 2 273.424 3.466 20 0 CGADLP CC[C@H]1CCCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347850235 218375342 /nfs/dbraw/zinc/37/53/42/218375342.db2.gz FZNOOGUUKVCWBX-ZDUSSCGKSA-N 2 2 281.469 3.359 20 0 CGADLP CC[C@H]1CCCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347850235 218375344 /nfs/dbraw/zinc/37/53/44/218375344.db2.gz FZNOOGUUKVCWBX-ZDUSSCGKSA-N 2 2 281.469 3.359 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000352771776 379952378 /nfs/dbraw/zinc/95/23/78/379952378.db2.gz OCJDFKISSFYNIX-IBGZPJMESA-N 2 2 297.446 3.345 20 0 CGADLP CC1CC[NH+](C[C@H]2CCCN(c3cc[nH+]cc3F)C2)CC1 ZINC000641323672 379990143 /nfs/dbraw/zinc/99/01/43/379990143.db2.gz NDFOVJNJGZVDNC-OAHLLOKOSA-N 2 2 291.414 3.169 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000282821016 379995628 /nfs/dbraw/zinc/99/56/28/379995628.db2.gz UEEORGOCBYCKQL-JKSUJKDBSA-N 2 2 264.388 3.441 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC3(C2)CCCCC3)s1 ZINC000347873284 218385331 /nfs/dbraw/zinc/38/53/31/218385331.db2.gz UFWGODBUUUZOTA-UHFFFAOYSA-N 2 2 293.480 3.361 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC3(C2)CCCCC3)s1 ZINC000347873284 218385333 /nfs/dbraw/zinc/38/53/33/218385333.db2.gz UFWGODBUUUZOTA-UHFFFAOYSA-N 2 2 293.480 3.361 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)[nH]1 ZINC000352853111 380005619 /nfs/dbraw/zinc/00/56/19/380005619.db2.gz LFSGEXSCDBATNQ-DLBZAZTESA-N 2 2 281.403 3.393 20 0 CGADLP COc1cccc(CC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000347880756 218389476 /nfs/dbraw/zinc/38/94/76/218389476.db2.gz PUJBLZXRRZFJCT-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352902487 380027349 /nfs/dbraw/zinc/02/73/49/380027349.db2.gz SEYJIFRFJGMBHR-XOKHGSTOSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352902487 380027352 /nfs/dbraw/zinc/02/73/52/380027352.db2.gz SEYJIFRFJGMBHR-XOKHGSTOSA-N 2 2 258.409 3.210 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c2ccncc12 ZINC000267998528 190368818 /nfs/dbraw/zinc/36/88/18/190368818.db2.gz TWLYOUIEZNHFFZ-UHFFFAOYSA-N 2 2 281.363 3.027 20 0 CGADLP CCN(C)c1ccc(CNc2cc(C3CC3)cc[nH+]2)c[nH+]1 ZINC000353151855 380143373 /nfs/dbraw/zinc/14/33/73/380143373.db2.gz KPHMSZLTSZHJFX-UHFFFAOYSA-N 2 2 282.391 3.422 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000641780110 380094386 /nfs/dbraw/zinc/09/43/86/380094386.db2.gz WEVQJARUWFPMTG-KRWDZBQOSA-N 2 2 269.392 3.094 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)CC1(C)C ZINC000641791228 380102244 /nfs/dbraw/zinc/10/22/44/380102244.db2.gz AXKUGKRNRBUULQ-GFCCVEGCSA-N 2 2 289.448 3.259 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)CC1(C)C ZINC000641791228 380102250 /nfs/dbraw/zinc/10/22/50/380102250.db2.gz AXKUGKRNRBUULQ-GFCCVEGCSA-N 2 2 289.448 3.259 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000641802281 380113420 /nfs/dbraw/zinc/11/34/20/380113420.db2.gz ISTJEASWLVFZNI-OLZOCXBDSA-N 2 2 279.453 3.016 20 0 CGADLP CC[NH+](CC)CCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000641936060 380121840 /nfs/dbraw/zinc/12/18/40/380121840.db2.gz DHLNGAFRMUJDTO-UHFFFAOYSA-N 2 2 271.408 3.027 20 0 CGADLP Cc1ccc2[nH+]c(CNc3cccc(C[NH+](C)C)c3)cn2c1 ZINC000284093735 380123379 /nfs/dbraw/zinc/12/33/79/380123379.db2.gz VTFHXIUWYYYKGI-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000643030457 380205260 /nfs/dbraw/zinc/20/52/60/380205260.db2.gz UUFTTYSHJQIUTH-QWHCGFSZSA-N 2 2 259.328 3.056 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCn3cccc3[C@@H]2C)c[nH+]1 ZINC000353363012 380205294 /nfs/dbraw/zinc/20/52/94/380205294.db2.gz JRQSEYRTCFXOLA-HNNXBMFYSA-N 2 2 269.392 3.201 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCn3cccc3[C@@H]2C)c[nH+]1 ZINC000353363012 380205299 /nfs/dbraw/zinc/20/52/99/380205299.db2.gz JRQSEYRTCFXOLA-HNNXBMFYSA-N 2 2 269.392 3.201 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353243025 380184987 /nfs/dbraw/zinc/18/49/87/380184987.db2.gz KGMTZUGTMHKQJS-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353243025 380184994 /nfs/dbraw/zinc/18/49/94/380184994.db2.gz KGMTZUGTMHKQJS-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCC(C)CC1 ZINC000353246377 380186436 /nfs/dbraw/zinc/18/64/36/380186436.db2.gz FHXCFNQCDGEULE-JKSUJKDBSA-N 2 2 264.457 3.419 20 0 CGADLP COc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000353947542 380249194 /nfs/dbraw/zinc/24/91/94/380249194.db2.gz ZMDNMALPYXFVIO-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)[nH+]1 ZINC000353924518 380237519 /nfs/dbraw/zinc/23/75/19/380237519.db2.gz SILFDLMBEOITPB-IAGOWNOFSA-N 2 2 281.403 3.393 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353927444 380239445 /nfs/dbraw/zinc/23/94/45/380239445.db2.gz IZZDLIQAJHQJCT-HUUCEWRRSA-N 2 2 276.399 3.105 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353927444 380239446 /nfs/dbraw/zinc/23/94/46/380239446.db2.gz IZZDLIQAJHQJCT-HUUCEWRRSA-N 2 2 276.399 3.105 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643501711 380325315 /nfs/dbraw/zinc/32/53/15/380325315.db2.gz OKRSRFAQURKWTJ-IRXDYDNUSA-N 2 2 258.409 3.260 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000643506831 380328192 /nfs/dbraw/zinc/32/81/92/380328192.db2.gz JUXANQUDFAAFGA-AWEZNQCLSA-N 2 2 281.403 3.151 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643506634 380328203 /nfs/dbraw/zinc/32/82/03/380328203.db2.gz DJWILWHWMHPIPW-OAHLLOKOSA-N 2 2 266.816 3.379 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)c2sccc21 ZINC000643507693 380329674 /nfs/dbraw/zinc/32/96/74/380329674.db2.gz MSKPSBXFTFHBIC-ZWNOBZJWSA-N 2 2 250.411 3.028 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354033045 380290014 /nfs/dbraw/zinc/29/00/14/380290014.db2.gz HLQAQLUACXNANQ-LPQSXRFUSA-N 2 2 298.361 3.387 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354033045 380290024 /nfs/dbraw/zinc/29/00/24/380290024.db2.gz HLQAQLUACXNANQ-LPQSXRFUSA-N 2 2 298.361 3.387 20 0 CGADLP Cc1csc(C2([NH2+]C[C@@H]([NH3+])CC(C)C)CCCC2)n1 ZINC000414717547 380385304 /nfs/dbraw/zinc/38/53/04/380385304.db2.gz ZSCISWYAKDEIJQ-ZDUSSCGKSA-N 2 2 281.469 3.184 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000643528475 380345312 /nfs/dbraw/zinc/34/53/12/380345312.db2.gz JXIBEDDXDQNBMT-KCJUWKMLSA-N 2 2 289.206 3.144 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000643529094 380346522 /nfs/dbraw/zinc/34/65/22/380346522.db2.gz VEISOPLOXKSUMM-POYBYMJQSA-N 2 2 279.236 3.369 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000414654404 380355127 /nfs/dbraw/zinc/35/51/27/380355127.db2.gz JGKUYBPBBPZDGO-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000414654404 380355132 /nfs/dbraw/zinc/35/51/32/380355132.db2.gz JGKUYBPBBPZDGO-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538892 380355504 /nfs/dbraw/zinc/35/55/04/380355504.db2.gz ZCPZWSJSIKFCGB-JENIJYKNSA-N 2 2 298.405 3.374 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000643538318 380356133 /nfs/dbraw/zinc/35/61/33/380356133.db2.gz GVKONPWYUZYNPG-BVUBDWEXSA-N 2 2 296.817 3.266 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000643543487 380357360 /nfs/dbraw/zinc/35/73/60/380357360.db2.gz NSHZGLMROYSZOU-CXAGYDPISA-N 2 2 290.455 3.166 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@@H](C[NH3+])C1 ZINC000414764358 380395446 /nfs/dbraw/zinc/39/54/46/380395446.db2.gz DEMYSMGVLDDCKS-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@@H](C[NH3+])C1 ZINC000414764358 380395449 /nfs/dbraw/zinc/39/54/49/380395449.db2.gz DEMYSMGVLDDCKS-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354200938 380362365 /nfs/dbraw/zinc/36/23/65/380362365.db2.gz RMFOTXFEGRVPLO-VYDXJSESSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354200938 380362371 /nfs/dbraw/zinc/36/23/71/380362371.db2.gz RMFOTXFEGRVPLO-VYDXJSESSA-N 2 2 278.415 3.235 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414815027 380426530 /nfs/dbraw/zinc/42/65/30/380426530.db2.gz WMWSJLUHFZDLHV-UHFFFAOYSA-N 2 2 289.448 3.417 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414835734 380443844 /nfs/dbraw/zinc/44/38/44/380443844.db2.gz HQOGXWKIRSVBEO-CYBMUJFWSA-N 2 2 295.496 3.438 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CCO)c2ccccc2)c[nH+]1 ZINC000354457137 380446014 /nfs/dbraw/zinc/44/60/14/380446014.db2.gz DZLQODSJHZAYAF-SFHVURJKSA-N 2 2 284.403 3.036 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839966 380447348 /nfs/dbraw/zinc/44/73/48/380447348.db2.gz WVCXQWLJANBMAU-CMPLNLGQSA-N 2 2 260.303 3.007 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000414795275 380408589 /nfs/dbraw/zinc/40/85/89/380408589.db2.gz GLRLBGVVEDSDJA-GFCCVEGCSA-N 2 2 292.732 3.186 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414803157 380416832 /nfs/dbraw/zinc/41/68/32/380416832.db2.gz LSAQTGIUYSJHSK-UHFFFAOYSA-N 2 2 289.448 3.417 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000414806394 380418100 /nfs/dbraw/zinc/41/81/00/380418100.db2.gz BSAMVHPNVXZPQP-JTQLQIEISA-N 2 2 291.258 3.118 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414809953 380422034 /nfs/dbraw/zinc/42/20/34/380422034.db2.gz HJLGUQGXDUWNPT-LLVKDONJSA-N 2 2 269.458 3.048 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1C(F)(F)F ZINC000414910752 380486101 /nfs/dbraw/zinc/48/61/01/380486101.db2.gz CRTAHCYKDHMDGD-IINYFYTJSA-N 2 2 286.341 3.101 20 0 CGADLP COC[C@@H]1CCCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354663985 380519595 /nfs/dbraw/zinc/51/95/95/380519595.db2.gz OGTXBKQDIWPRBH-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@@H]1CCCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354663985 380519596 /nfs/dbraw/zinc/51/95/96/380519596.db2.gz OGTXBKQDIWPRBH-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CCO)C2CCCCC2)c[nH+]1 ZINC000354577100 380491334 /nfs/dbraw/zinc/49/13/34/380491334.db2.gz WNRNEAFRJHETLQ-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCC[C@@H]21 ZINC000354579311 380493992 /nfs/dbraw/zinc/49/39/92/380493992.db2.gz MQOKHROQQCOPAY-GJZGRUSLSA-N 2 2 269.392 3.345 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCC[C@@H]21 ZINC000354579311 380493999 /nfs/dbraw/zinc/49/39/99/380493999.db2.gz MQOKHROQQCOPAY-GJZGRUSLSA-N 2 2 269.392 3.345 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414934478 380494952 /nfs/dbraw/zinc/49/49/52/380494952.db2.gz BPFZJCUEXALJKO-SWLSCSKDSA-N 2 2 287.432 3.040 20 0 CGADLP CC1([NH2+]Cc2csc(-c3cccs3)n2)CC[NH2+]CC1 ZINC000414938260 380498312 /nfs/dbraw/zinc/49/83/12/380498312.db2.gz IFSLWUIJNDVEIP-UHFFFAOYSA-N 2 2 293.461 3.103 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414941397 380499834 /nfs/dbraw/zinc/49/98/34/380499834.db2.gz AQIBZFZKMPAXQS-LIRRHRJNSA-N 2 2 298.405 3.233 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354629253 380506679 /nfs/dbraw/zinc/50/66/79/380506679.db2.gz BOPBIKIHBIETEQ-SNVBAGLBSA-N 2 2 271.286 3.155 20 0 CGADLP COCC[C@@H]1CCCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354668927 380521984 /nfs/dbraw/zinc/52/19/84/380521984.db2.gz SRYHNGGTBLVWJQ-SFHVURJKSA-N 2 2 290.451 3.461 20 0 CGADLP COCC[C@@H]1CCCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354668927 380521990 /nfs/dbraw/zinc/52/19/90/380521990.db2.gz SRYHNGGTBLVWJQ-SFHVURJKSA-N 2 2 290.451 3.461 20 0 CGADLP CC[C@@H]1CN(c2cccc(C)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000354809102 380557419 /nfs/dbraw/zinc/55/74/19/380557419.db2.gz RQHPGCSNPIQXNE-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP CC[C@@H]1CN(c2cccc(C)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000354809102 380557424 /nfs/dbraw/zinc/55/74/24/380557424.db2.gz RQHPGCSNPIQXNE-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccn2cc(CNc3cc[nH+]c(C)c3Cl)[nH+]c12 ZINC000355104866 380574411 /nfs/dbraw/zinc/57/44/11/380574411.db2.gz WVQCXMZGQGUPRQ-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000355301287 380632228 /nfs/dbraw/zinc/63/22/28/380632228.db2.gz BJAJUUDDNLDPEW-CKEIUWERSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@@H](C)CC2)c[nH+]1 ZINC000355124680 380586941 /nfs/dbraw/zinc/58/69/41/380586941.db2.gz OZSXRSMAUMICRB-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@@H](C)CC2)c[nH+]1 ZINC000355124680 380586950 /nfs/dbraw/zinc/58/69/50/380586950.db2.gz OZSXRSMAUMICRB-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CO)CCC(C)(C)C)c[nH+]1 ZINC000355726446 380760030 /nfs/dbraw/zinc/76/00/30/380760030.db2.gz HPJSJZVPTPFIHY-INIZCTEOSA-N 2 2 278.440 3.099 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@@H]1c1ccccc1 ZINC000645898336 380766107 /nfs/dbraw/zinc/76/61/07/380766107.db2.gz KSGAEBOTRAZMJT-SJORKVTESA-N 2 2 256.393 3.132 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@@H]1c1ccccc1 ZINC000645898336 380766109 /nfs/dbraw/zinc/76/61/09/380766109.db2.gz KSGAEBOTRAZMJT-SJORKVTESA-N 2 2 256.393 3.132 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355584818 380718986 /nfs/dbraw/zinc/71/89/86/380718986.db2.gz OVJFQQNRAGNWJS-OLZOCXBDSA-N 2 2 275.421 3.460 20 0 CGADLP CN(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000645813098 380739705 /nfs/dbraw/zinc/73/97/05/380739705.db2.gz SQCZXJOEPFLYQP-UHFFFAOYSA-N 2 2 298.434 3.116 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000355676711 380747217 /nfs/dbraw/zinc/74/72/17/380747217.db2.gz CKUNIZCDOYGYRM-CYBMUJFWSA-N 2 2 289.766 3.096 20 0 CGADLP Clc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)c1 ZINC000646095106 380832638 /nfs/dbraw/zinc/83/26/38/380832638.db2.gz GAJJVRJJBGZGCK-UHFFFAOYSA-N 2 2 261.756 3.232 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000420300126 380845901 /nfs/dbraw/zinc/84/59/01/380845901.db2.gz HFSAVVLRGKPTKW-JTQLQIEISA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000420300126 380845905 /nfs/dbraw/zinc/84/59/05/380845905.db2.gz HFSAVVLRGKPTKW-JTQLQIEISA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@]1(F)C[NH2+]CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000420335990 380852700 /nfs/dbraw/zinc/85/27/00/380852700.db2.gz PZWQRMPVTXPFEA-LJQANCHMSA-N 2 2 296.389 3.390 20 0 CGADLP C[C@@]1(F)C[NH2+]CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000420335990 380852707 /nfs/dbraw/zinc/85/27/07/380852707.db2.gz PZWQRMPVTXPFEA-LJQANCHMSA-N 2 2 296.389 3.390 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000421384012 380926059 /nfs/dbraw/zinc/92/60/59/380926059.db2.gz OJYGNHKGSHRVGA-LLVKDONJSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@@H]1C[NH+](CCCc2c[nH+]ccc2C)C[C@@H](CC)O1 ZINC000421384833 380929873 /nfs/dbraw/zinc/92/98/73/380929873.db2.gz FPVVGKBNNMNFFZ-IAGOWNOFSA-N 2 2 276.424 3.212 20 0 CGADLP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]c2c(OC)cccc12 ZINC000357238983 381080168 /nfs/dbraw/zinc/08/01/68/381080168.db2.gz OGHIGFMAZUXUGH-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c2c(OC)cccc12 ZINC000357238983 381080177 /nfs/dbraw/zinc/08/01/77/381080177.db2.gz OGHIGFMAZUXUGH-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761525 542284570 /nfs/dbraw/zinc/28/45/70/542284570.db2.gz YMHRZYRHJWTXOR-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761525 542284573 /nfs/dbraw/zinc/28/45/73/542284573.db2.gz YMHRZYRHJWTXOR-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CC(C)(C[NH2+]Cc1csc(C2CC2)n1)C[NH+]1CCCC1 ZINC000360167379 381464947 /nfs/dbraw/zinc/46/49/47/381464947.db2.gz XBEOBGNHZDDJLW-UHFFFAOYSA-N 2 2 293.480 3.232 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000360574200 381581943 /nfs/dbraw/zinc/58/19/43/381581943.db2.gz JZLCRPVGZYNPRU-HIFRSBDPSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000360574200 381581948 /nfs/dbraw/zinc/58/19/48/381581948.db2.gz JZLCRPVGZYNPRU-HIFRSBDPSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587828 381584591 /nfs/dbraw/zinc/58/45/91/381584591.db2.gz DICSODFUBHBVGC-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587828 381584599 /nfs/dbraw/zinc/58/45/99/381584599.db2.gz DICSODFUBHBVGC-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(Cl)c1 ZINC000334867431 207216009 /nfs/dbraw/zinc/21/60/09/207216009.db2.gz FLTNBMDLAYOLIQ-GHMZBOCLSA-N 2 2 270.779 3.018 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000361006062 381645309 /nfs/dbraw/zinc/64/53/09/381645309.db2.gz ZTIUIUCGCYCOLS-BZUAXINKSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1(C)CC1 ZINC000361481914 381766916 /nfs/dbraw/zinc/76/69/16/381766916.db2.gz SELPSGZLMMDSNL-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361665355 381862163 /nfs/dbraw/zinc/86/21/63/381862163.db2.gz WIQCGTRUQIJTBD-SUYBPPKGSA-N 2 2 299.393 3.423 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCC[NH3+] ZINC000227744330 542296714 /nfs/dbraw/zinc/29/67/14/542296714.db2.gz ZVIZLJYJSZRKFB-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000227744330 542296716 /nfs/dbraw/zinc/29/67/16/542296716.db2.gz ZVIZLJYJSZRKFB-VIFPVBQESA-N 2 2 261.196 3.335 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(F)c1 ZINC000366944758 382324430 /nfs/dbraw/zinc/32/44/30/382324430.db2.gz OEYLQRRXLGNRBU-GFCCVEGCSA-N 2 2 273.355 3.209 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237638206 542319206 /nfs/dbraw/zinc/31/92/06/542319206.db2.gz BUVZKQIVPLXNJN-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237638206 542319207 /nfs/dbraw/zinc/31/92/07/542319207.db2.gz BUVZKQIVPLXNJN-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438590 382348489 /nfs/dbraw/zinc/34/84/89/382348489.db2.gz OACIMYCONYPDFH-CQSZACIVSA-N 2 2 287.432 3.448 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000370062853 382414722 /nfs/dbraw/zinc/41/47/22/382414722.db2.gz MSMCEAFUXCTSAX-AQFXKWCLSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251915149 542348887 /nfs/dbraw/zinc/34/88/87/542348887.db2.gz YAHDCUGWGQNDPG-MISXGVKJSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251915149 542348889 /nfs/dbraw/zinc/34/88/89/542348889.db2.gz YAHDCUGWGQNDPG-MISXGVKJSA-N 2 2 268.351 3.085 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ncc(Cl)s1)C(C)(C)C ZINC000349652714 218896511 /nfs/dbraw/zinc/89/65/11/218896511.db2.gz FWPVKTPPDLGGBY-SNVBAGLBSA-N 2 2 289.876 3.253 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](CCCO)CC(C)(C)C ZINC000289362617 197312378 /nfs/dbraw/zinc/31/23/78/197312378.db2.gz OHNGVOUIEUULJZ-UHFFFAOYSA-N 2 2 278.440 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCCO)CC(C)(C)C ZINC000289362617 197312380 /nfs/dbraw/zinc/31/23/80/197312380.db2.gz OHNGVOUIEUULJZ-UHFFFAOYSA-N 2 2 278.440 3.053 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)no1 ZINC000289365494 197313990 /nfs/dbraw/zinc/31/39/90/197313990.db2.gz NNCMGCAUBGQSPB-GFCCVEGCSA-N 2 2 288.395 3.075 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)no1 ZINC000289365494 197313991 /nfs/dbraw/zinc/31/39/91/197313991.db2.gz NNCMGCAUBGQSPB-GFCCVEGCSA-N 2 2 288.395 3.075 20 0 CGADLP Clc1c[nH+]ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000350255781 219004117 /nfs/dbraw/zinc/00/41/17/219004117.db2.gz UIVDSPDOOVAHTF-UHFFFAOYSA-N 2 2 298.777 3.014 20 0 CGADLP CCOC[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289251903 197276032 /nfs/dbraw/zinc/27/60/32/197276032.db2.gz BMGGMYSCCJGBKY-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP CCOC[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289251903 197276034 /nfs/dbraw/zinc/27/60/34/197276034.db2.gz BMGGMYSCCJGBKY-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2[nH]1 ZINC000353823942 220349861 /nfs/dbraw/zinc/34/98/61/220349861.db2.gz MTWMEHUGNANCMY-KPZWWZAWSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc2[nH]1 ZINC000353823942 220349863 /nfs/dbraw/zinc/34/98/63/220349863.db2.gz MTWMEHUGNANCMY-KPZWWZAWSA-N 2 2 283.419 3.049 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000353839129 220360821 /nfs/dbraw/zinc/36/08/21/220360821.db2.gz CQYQWIWXCKRFJQ-SUMWQHHRSA-N 2 2 276.399 3.301 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000424266863 533110931 /nfs/dbraw/zinc/11/09/31/533110931.db2.gz LQPHNNKNBLUGHZ-NWDGAFQWSA-N 2 2 293.798 3.284 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000328507848 542444426 /nfs/dbraw/zinc/44/44/26/542444426.db2.gz MBXYQZCSNVRYIT-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000328507848 542444429 /nfs/dbraw/zinc/44/44/29/542444429.db2.gz MBXYQZCSNVRYIT-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000343989865 542503148 /nfs/dbraw/zinc/50/31/48/542503148.db2.gz POYFKTYPSWFFAX-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000343989865 542503153 /nfs/dbraw/zinc/50/31/53/542503153.db2.gz POYFKTYPSWFFAX-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CCS2 ZINC000423261790 533290484 /nfs/dbraw/zinc/29/04/84/533290484.db2.gz KWBFGTLPJZLNRE-WFASDCNBSA-N 2 2 294.464 3.195 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423382343 533298029 /nfs/dbraw/zinc/29/80/29/533298029.db2.gz ILTBJYALNUBSBR-SJORKVTESA-N 2 2 288.435 3.050 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1F ZINC000423231266 533411751 /nfs/dbraw/zinc/41/17/51/533411751.db2.gz APQLFJVEHOYTPO-IAQYHMDHSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423530049 533510902 /nfs/dbraw/zinc/51/09/02/533510902.db2.gz PCFPVOPOLCFAMK-KDOFPFPSSA-N 3 2 298.434 3.040 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423265967 533511021 /nfs/dbraw/zinc/51/10/21/533511021.db2.gz BMJRBLDCTCUDPB-ACJLOTCBSA-N 2 2 297.402 3.262 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)c(F)c(F)c1 ZINC000424376462 533519865 /nfs/dbraw/zinc/51/98/65/533519865.db2.gz PHHVGNAOPCLZPJ-BZHVJNSISA-N 2 2 272.314 3.024 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000156172012 533543923 /nfs/dbraw/zinc/54/39/23/533543923.db2.gz RBMLALXIDFDJKQ-XQQFMLRXSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000156172012 533543927 /nfs/dbraw/zinc/54/39/27/533543927.db2.gz RBMLALXIDFDJKQ-XQQFMLRXSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1Br ZINC000423396488 533546641 /nfs/dbraw/zinc/54/66/41/533546641.db2.gz UFRJYRYXIGRYNH-UTUOFQBUSA-N 2 2 297.240 3.240 20 0 CGADLP COc1cc(C)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000449009508 533648325 /nfs/dbraw/zinc/64/83/25/533648325.db2.gz OGOYLDVENLZGBO-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000449009508 533648337 /nfs/dbraw/zinc/64/83/37/533648337.db2.gz OGOYLDVENLZGBO-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000449046699 533655555 /nfs/dbraw/zinc/65/55/55/533655555.db2.gz LTROENOJOKLCRH-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000449046699 533655558 /nfs/dbraw/zinc/65/55/58/533655558.db2.gz LTROENOJOKLCRH-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000389165762 542606718 /nfs/dbraw/zinc/60/67/18/542606718.db2.gz MNKFVHDKCVWDBC-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000389165762 542606723 /nfs/dbraw/zinc/60/67/23/542606723.db2.gz MNKFVHDKCVWDBC-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccs2)C1 ZINC000393951084 542613366 /nfs/dbraw/zinc/61/33/66/542613366.db2.gz PPAJMFRSTAKMAA-STQMWFEESA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccs2)C1 ZINC000393951084 542613371 /nfs/dbraw/zinc/61/33/71/542613371.db2.gz PPAJMFRSTAKMAA-STQMWFEESA-N 2 2 252.427 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1csc(Cl)c1 ZINC000191212161 130203461 /nfs/dbraw/zinc/20/34/61/130203461.db2.gz MWLSNYMHPOQXEN-GXSJLCMTSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1csc(Cl)c1 ZINC000191212161 130203462 /nfs/dbraw/zinc/20/34/62/130203462.db2.gz MWLSNYMHPOQXEN-GXSJLCMTSA-N 2 2 258.818 3.146 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000192234927 130398317 /nfs/dbraw/zinc/39/83/17/130398317.db2.gz SSKXCASIJCMUGT-UHFFFAOYSA-N 2 2 299.422 3.030 20 0 CGADLP CC(C)(C)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126067 288401863 /nfs/dbraw/zinc/40/18/63/288401863.db2.gz FACXKFCDSVROOE-UHFFFAOYSA-N 2 2 261.413 3.394 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079385 392088733 /nfs/dbraw/zinc/08/87/33/392088733.db2.gz KNNPJKQJLBFHHG-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079385 392088736 /nfs/dbraw/zinc/08/87/36/392088736.db2.gz KNNPJKQJLBFHHG-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCC23CCC3)ccc1-n1cc[nH+]c1 ZINC000281982552 392268180 /nfs/dbraw/zinc/26/81/80/392268180.db2.gz CAEQYDUIVGESKA-MRXNPFEDSA-N 2 2 285.366 3.434 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672928 131135938 /nfs/dbraw/zinc/13/59/38/131135938.db2.gz FEFIHCWYAQPSHQ-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672928 131135940 /nfs/dbraw/zinc/13/59/40/131135940.db2.gz FEFIHCWYAQPSHQ-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccsc21 ZINC000286237766 392378714 /nfs/dbraw/zinc/37/87/14/392378714.db2.gz FCKQLFHRNAICNQ-STQMWFEESA-N 2 2 287.432 3.359 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000361973375 392379361 /nfs/dbraw/zinc/37/93/61/392379361.db2.gz WVXDWZTYWCLFDP-HZPDHXFCSA-N 2 2 296.455 3.304 20 0 CGADLP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000362030239 392391437 /nfs/dbraw/zinc/39/14/37/392391437.db2.gz WRYDCAQKRMAZGA-ZWKOTPCHSA-N 2 2 299.418 3.171 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)Cc2ccccc2C1 ZINC000362919318 392422101 /nfs/dbraw/zinc/42/21/01/392422101.db2.gz SOHNNVLUKVDSJP-UHFFFAOYSA-N 2 2 298.474 3.398 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000290489798 392447445 /nfs/dbraw/zinc/44/74/45/392447445.db2.gz VUUCODJMAUKPMP-SJORKVTESA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000290489798 392447447 /nfs/dbraw/zinc/44/74/47/392447447.db2.gz VUUCODJMAUKPMP-SJORKVTESA-N 2 2 290.451 3.052 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291566808 392469872 /nfs/dbraw/zinc/46/98/72/392469872.db2.gz NPGYFWZKDXBZCQ-UHFFFAOYSA-N 2 2 293.773 3.124 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000291566808 392469880 /nfs/dbraw/zinc/46/98/80/392469880.db2.gz NPGYFWZKDXBZCQ-UHFFFAOYSA-N 2 2 293.773 3.124 20 0 CGADLP Cc1nc(N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000302021323 392607774 /nfs/dbraw/zinc/60/77/74/392607774.db2.gz OASBOXZUBTWHGA-CYBMUJFWSA-N 2 2 298.434 3.334 20 0 CGADLP Cc1nc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000302021323 392607780 /nfs/dbraw/zinc/60/77/80/392607780.db2.gz OASBOXZUBTWHGA-CYBMUJFWSA-N 2 2 298.434 3.334 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCC23CCCC3)c[nH+]1 ZINC000328262150 392674855 /nfs/dbraw/zinc/67/48/55/392674855.db2.gz LOMDMPHFCJJJEX-OAHLLOKOSA-N 2 2 261.413 3.366 20 0 CGADLP C[NH+](C)C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000647281432 392633916 /nfs/dbraw/zinc/63/39/16/392633916.db2.gz OMGFLJRIRZMRCC-OAHLLOKOSA-N 2 2 282.378 3.457 20 0 CGADLP Clc1sccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482646 392736417 /nfs/dbraw/zinc/73/64/17/392736417.db2.gz VMOGVZIVXSWLIH-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1sccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482646 392736421 /nfs/dbraw/zinc/73/64/21/392736421.db2.gz VMOGVZIVXSWLIH-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000182000710 392739220 /nfs/dbraw/zinc/73/92/20/392739220.db2.gz NGBULTALWPJEIY-XJKSGUPXSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000182000710 392739228 /nfs/dbraw/zinc/73/92/28/392739228.db2.gz NGBULTALWPJEIY-XJKSGUPXSA-N 2 2 282.378 3.346 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554194 392768870 /nfs/dbraw/zinc/76/88/70/392768870.db2.gz SWQFHJTYUJNWSG-MRXNPFEDSA-N 2 2 258.409 3.068 20 0 CGADLP Fc1ccc2oc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000647554246 392769084 /nfs/dbraw/zinc/76/90/84/392769084.db2.gz VCLVZBDSDNLJAP-MRXNPFEDSA-N 2 2 288.366 3.336 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553546 392765772 /nfs/dbraw/zinc/76/57/72/392765772.db2.gz CPDHGXINSCLKFM-OAHLLOKOSA-N 2 2 276.449 3.173 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510654002 392806451 /nfs/dbraw/zinc/80/64/51/392806451.db2.gz UXRUPZLTNYWCKT-GJZGRUSLSA-N 2 2 258.425 3.226 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510654002 392806457 /nfs/dbraw/zinc/80/64/57/392806457.db2.gz UXRUPZLTNYWCKT-GJZGRUSLSA-N 2 2 258.425 3.226 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423426103 285503097 /nfs/dbraw/zinc/50/30/97/285503097.db2.gz MRLOBCKWIROBQD-ZWKOTPCHSA-N 2 2 270.420 3.042 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000375836342 392829428 /nfs/dbraw/zinc/82/94/28/392829428.db2.gz CBLUOGJDQMAXDU-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377802326 392889962 /nfs/dbraw/zinc/88/99/62/392889962.db2.gz INJKVKQNXAGGND-SOUVJXGZSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377802326 392889971 /nfs/dbraw/zinc/88/99/71/392889971.db2.gz INJKVKQNXAGGND-SOUVJXGZSA-N 2 2 275.440 3.462 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC2CCC1CC2 ZINC000381497811 392909713 /nfs/dbraw/zinc/90/97/13/392909713.db2.gz IUXITCACKBBUCQ-SLTXQBBLSA-N 2 2 264.457 3.275 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000517023966 392867353 /nfs/dbraw/zinc/86/73/53/392867353.db2.gz GUSBKNKYHVMSMI-UONOGXRCSA-N 2 2 264.413 3.172 20 0 CGADLP c1cn(C2CC[NH+](Cc3scnc3C3CC3)CC2)c[nH+]1 ZINC000494994063 542722283 /nfs/dbraw/zinc/72/22/83/542722283.db2.gz JLKGNCVRZXOMJW-UHFFFAOYSA-N 2 2 288.420 3.054 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000218378012 392996702 /nfs/dbraw/zinc/99/67/02/392996702.db2.gz ZYNLWVSKZXQHPZ-RYUDHWBXSA-N 2 2 252.427 3.041 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000218378012 392996708 /nfs/dbraw/zinc/99/67/08/392996708.db2.gz ZYNLWVSKZXQHPZ-RYUDHWBXSA-N 2 2 252.427 3.041 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000221997347 393007490 /nfs/dbraw/zinc/00/74/90/393007490.db2.gz ZZHHBFZDVDJUNS-CPUCHLNUSA-N 2 2 269.392 3.500 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@H]3C)c[nH+]c12 ZINC000466421306 393028611 /nfs/dbraw/zinc/02/86/11/393028611.db2.gz DAEXCGOIMUSUQG-TZMCWYRMSA-N 2 2 257.381 3.169 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000415003503 393087685 /nfs/dbraw/zinc/08/76/85/393087685.db2.gz GAUIGPYHGQCGMZ-HTQZYQBOSA-N 2 2 280.721 3.184 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000346812054 393095167 /nfs/dbraw/zinc/09/51/67/393095167.db2.gz WANGVXVNZUAPLO-IYOUNJFTSA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000346812054 393095174 /nfs/dbraw/zinc/09/51/74/393095174.db2.gz WANGVXVNZUAPLO-IYOUNJFTSA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000467414588 393098505 /nfs/dbraw/zinc/09/85/05/393098505.db2.gz VVFADWGBFWPITD-RKVPGOIHSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000467414588 393098509 /nfs/dbraw/zinc/09/85/09/393098509.db2.gz VVFADWGBFWPITD-RKVPGOIHSA-N 2 2 272.436 3.253 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000415033893 393105355 /nfs/dbraw/zinc/10/53/55/393105355.db2.gz HODVQULWURIVOC-LBPRGKRZSA-N 2 2 293.461 3.102 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037121 393106377 /nfs/dbraw/zinc/10/63/77/393106377.db2.gz GFNYOXAYYQSADL-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037121 393106382 /nfs/dbraw/zinc/10/63/82/393106382.db2.gz GFNYOXAYYQSADL-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP C[NH2+]Cc1ccc(NCCCc2ccc(C)[nH+]c2)cc1 ZINC000414980320 393077347 /nfs/dbraw/zinc/07/73/47/393077347.db2.gz WBWRAHHPDCWXDJ-UHFFFAOYSA-N 2 2 269.392 3.154 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871541 393079539 /nfs/dbraw/zinc/07/95/39/393079539.db2.gz OHYYMLWBBJZQHD-IYOUNJFTSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871541 393079542 /nfs/dbraw/zinc/07/95/42/393079542.db2.gz OHYYMLWBBJZQHD-IYOUNJFTSA-N 2 2 272.436 3.166 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414988602 393080982 /nfs/dbraw/zinc/08/09/82/393080982.db2.gz LEVHJKSWMRYPAW-CABCVRRESA-N 2 2 284.394 3.388 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000415046743 393110620 /nfs/dbraw/zinc/11/06/20/393110620.db2.gz VIKHOANNONQMHG-AWEZNQCLSA-N 2 2 287.432 3.040 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C1CCCC1 ZINC000415065182 393124192 /nfs/dbraw/zinc/12/41/92/393124192.db2.gz MEGOJQSUGWWSJV-AWEZNQCLSA-N 2 2 270.779 3.086 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069595 393128313 /nfs/dbraw/zinc/12/83/13/393128313.db2.gz PELPXLLXNMEZDC-HNNXBMFYSA-N 2 2 270.376 3.178 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1sc(C)nc1C ZINC000415069374 393128344 /nfs/dbraw/zinc/12/83/44/393128344.db2.gz SHLGFCYICPKJBL-OAHLLOKOSA-N 2 2 289.448 3.112 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415069339 393128792 /nfs/dbraw/zinc/12/87/92/393128792.db2.gz SDBWERWZUKFMSV-NVXWUHKLSA-N 2 2 278.440 3.044 20 0 CGADLP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415075145 393131702 /nfs/dbraw/zinc/13/17/02/393131702.db2.gz BAVUXIXRYLOAMW-QGZVFWFLSA-N 2 2 296.414 3.074 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079860 393133942 /nfs/dbraw/zinc/13/39/42/393133942.db2.gz IQDFFQPKAMIUOM-QWRGUYRKSA-N 2 2 287.234 3.439 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415087191 393139263 /nfs/dbraw/zinc/13/92/63/393139263.db2.gz KRMQHXIRFKKNBP-RBUKOAKNSA-N 2 2 280.415 3.312 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415086088 393139336 /nfs/dbraw/zinc/13/93/36/393139336.db2.gz UENIDTRENJLRKP-NWDGAFQWSA-N 2 2 281.469 3.233 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000468511911 393149303 /nfs/dbraw/zinc/14/93/03/393149303.db2.gz PMWUESNTNHIYOA-DZOHQFGASA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000468511911 393149306 /nfs/dbraw/zinc/14/93/06/393149306.db2.gz PMWUESNTNHIYOA-DZOHQFGASA-N 2 2 272.436 3.253 20 0 CGADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415121603 393151215 /nfs/dbraw/zinc/15/12/15/393151215.db2.gz MWDBUUQRVOBBNV-LPHOPBHVSA-N 2 2 298.405 3.451 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415127493 393152710 /nfs/dbraw/zinc/15/27/10/393152710.db2.gz NGXKDHMBJJHCST-TZMCWYRMSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415127493 393152714 /nfs/dbraw/zinc/15/27/14/393152714.db2.gz NGXKDHMBJJHCST-TZMCWYRMSA-N 2 2 296.842 3.155 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1C(C)C)CCC2 ZINC000468553802 393153723 /nfs/dbraw/zinc/15/37/23/393153723.db2.gz LWPOOEDTZDNAQD-JYJNAYRXSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000415136634 393156514 /nfs/dbraw/zinc/15/65/14/393156514.db2.gz XLTXSKCDPVWSEL-NXEZZACHSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000415136634 393156518 /nfs/dbraw/zinc/15/65/18/393156518.db2.gz XLTXSKCDPVWSEL-NXEZZACHSA-N 2 2 292.370 3.184 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950277 393162808 /nfs/dbraw/zinc/16/28/08/393162808.db2.gz MJTVCCGENCOMEK-JONQDZQNSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950277 393162817 /nfs/dbraw/zinc/16/28/17/393162817.db2.gz MJTVCCGENCOMEK-JONQDZQNSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950277 393162821 /nfs/dbraw/zinc/16/28/21/393162821.db2.gz MJTVCCGENCOMEK-JONQDZQNSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950277 393162826 /nfs/dbraw/zinc/16/28/26/393162826.db2.gz MJTVCCGENCOMEK-JONQDZQNSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179227 393259587 /nfs/dbraw/zinc/25/95/87/393259587.db2.gz DAFBSNTZALDSGC-JKSUJKDBSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179227 393259593 /nfs/dbraw/zinc/25/95/93/393259593.db2.gz DAFBSNTZALDSGC-JKSUJKDBSA-N 2 2 273.424 3.172 20 0 CGADLP CCc1ccc2[nH+]ccc(N3CCn4cc(C)[nH+]c4C3)c2c1 ZINC000649322534 393399647 /nfs/dbraw/zinc/39/96/47/393399647.db2.gz GKMKKABERORYKX-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC[C@H]1[NH3+] ZINC000649416489 393416578 /nfs/dbraw/zinc/41/65/78/393416578.db2.gz BTMICCHKIMUOSE-YNEHKIRRSA-N 2 2 279.428 3.092 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC[C@H]1[NH3+] ZINC000649416489 393416584 /nfs/dbraw/zinc/41/65/84/393416584.db2.gz BTMICCHKIMUOSE-YNEHKIRRSA-N 2 2 279.428 3.092 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC[C@@H]1[NH3+] ZINC000649416487 393416932 /nfs/dbraw/zinc/41/69/32/393416932.db2.gz BTMICCHKIMUOSE-UPJWGTAASA-N 2 2 279.428 3.092 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)CC[C@@H]1[NH3+] ZINC000649416487 393416933 /nfs/dbraw/zinc/41/69/33/393416933.db2.gz BTMICCHKIMUOSE-UPJWGTAASA-N 2 2 279.428 3.092 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C2CC2)c1 ZINC000419748907 393418647 /nfs/dbraw/zinc/41/86/47/393418647.db2.gz PKNQJEJLEOZHFS-CYBMUJFWSA-N 2 2 298.434 3.214 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000356331271 393421394 /nfs/dbraw/zinc/42/13/94/393421394.db2.gz HLGOGVNLBCTASK-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000356331271 393421397 /nfs/dbraw/zinc/42/13/97/393421397.db2.gz HLGOGVNLBCTASK-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000479443773 393432774 /nfs/dbraw/zinc/43/27/74/393432774.db2.gz ZVDRZWFJKCMQBM-KLZNWCGWSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000479443773 393432779 /nfs/dbraw/zinc/43/27/79/393432779.db2.gz ZVDRZWFJKCMQBM-KLZNWCGWSA-N 2 2 262.441 3.194 20 0 CGADLP C[NH2+]C[C@@H]1CCCN1c1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000420219759 393439752 /nfs/dbraw/zinc/43/97/52/393439752.db2.gz XNIBRQXLPHGSLT-ZDUSSCGKSA-N 2 2 290.455 3.086 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484481196 393445358 /nfs/dbraw/zinc/44/53/58/393445358.db2.gz DERQYTSUISAVJO-XHSDSOJGSA-N 2 2 284.513 3.228 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000356512023 393467491 /nfs/dbraw/zinc/46/74/91/393467491.db2.gz YHNGKDYVGLIHET-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000356512023 393467498 /nfs/dbraw/zinc/46/74/98/393467498.db2.gz YHNGKDYVGLIHET-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CCCC[C@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000356532349 393475344 /nfs/dbraw/zinc/47/53/44/393475344.db2.gz UHFBYKKNPNKMGY-LBPRGKRZSA-N 2 2 269.458 3.215 20 0 CGADLP CCCC[C@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000356532349 393475350 /nfs/dbraw/zinc/47/53/50/393475350.db2.gz UHFBYKKNPNKMGY-LBPRGKRZSA-N 2 2 269.458 3.215 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000475582009 393408713 /nfs/dbraw/zinc/40/87/13/393408713.db2.gz LTLPJAFXESMLKT-UHFFFAOYSA-N 2 2 280.843 3.428 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000649575453 393494880 /nfs/dbraw/zinc/49/48/80/393494880.db2.gz QARVEIDPZDCHAJ-AWEZNQCLSA-N 2 2 266.816 3.259 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000649575453 393494885 /nfs/dbraw/zinc/49/48/85/393494885.db2.gz QARVEIDPZDCHAJ-AWEZNQCLSA-N 2 2 266.816 3.259 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000649574986 393495048 /nfs/dbraw/zinc/49/50/48/393495048.db2.gz ZRWYLMNDUCMAMU-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000649574986 393495052 /nfs/dbraw/zinc/49/50/52/393495052.db2.gz ZRWYLMNDUCMAMU-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488405880 393500142 /nfs/dbraw/zinc/50/01/42/393500142.db2.gz JOYAQHBLHDTRCC-HUUCEWRRSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1noc(C)c1C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000429846422 393505892 /nfs/dbraw/zinc/50/58/92/393505892.db2.gz OGFYFDUULHOBJL-CYBMUJFWSA-N 2 2 287.407 3.148 20 0 CGADLP CC(C)Oc1cc[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c1 ZINC000649620248 393516350 /nfs/dbraw/zinc/51/63/50/393516350.db2.gz SZOHOWJNUXFHEN-UONOGXRCSA-N 2 2 299.418 3.484 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CC)CO1 ZINC000649720348 393557444 /nfs/dbraw/zinc/55/74/44/393557444.db2.gz HYFPCVJVKWLIED-SJLPKXTDSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CC)CO1 ZINC000649720348 393557447 /nfs/dbraw/zinc/55/74/47/393557447.db2.gz HYFPCVJVKWLIED-SJLPKXTDSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000666652202 542805785 /nfs/dbraw/zinc/80/57/85/542805785.db2.gz PSROIHWFOIZAKP-UHFFFAOYSA-N 2 2 264.388 3.183 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000666640978 542804858 /nfs/dbraw/zinc/80/48/58/542804858.db2.gz RHMDMHAXQFENSH-HOTGVXAUSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000666640978 542804861 /nfs/dbraw/zinc/80/48/61/542804861.db2.gz RHMDMHAXQFENSH-HOTGVXAUSA-N 2 2 278.465 3.150 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH2+]CC3CC3)CC1)CC2 ZINC000430545492 393573461 /nfs/dbraw/zinc/57/34/61/393573461.db2.gz BAUWKJOIAPQQNK-SFHVURJKSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000430557697 393575294 /nfs/dbraw/zinc/57/52/94/393575294.db2.gz OIVSJPBVFLXWDZ-AWEZNQCLSA-N 2 2 293.461 3.089 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565860 393576016 /nfs/dbraw/zinc/57/60/16/393576016.db2.gz BAUKSHBMFSVUAN-CHWSQXEVSA-N 2 2 281.444 3.338 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565860 393576020 /nfs/dbraw/zinc/57/60/20/393576020.db2.gz BAUKSHBMFSVUAN-CHWSQXEVSA-N 2 2 281.444 3.338 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430566562 393576503 /nfs/dbraw/zinc/57/65/03/393576503.db2.gz CKGHAQKAQCZKTP-MAUKXSAKSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649748102 393572308 /nfs/dbraw/zinc/57/23/08/393572308.db2.gz PAYJFYKIZIXBAX-GFCCVEGCSA-N 2 2 289.810 3.235 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649748102 393572309 /nfs/dbraw/zinc/57/23/09/393572309.db2.gz PAYJFYKIZIXBAX-GFCCVEGCSA-N 2 2 289.810 3.235 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666799266 542817174 /nfs/dbraw/zinc/81/71/74/542817174.db2.gz ORFUNUGSTYINEO-ZDUSSCGKSA-N 2 2 291.826 3.351 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855287 542820817 /nfs/dbraw/zinc/82/08/17/542820817.db2.gz KHJGVJJUEIDZAU-SNVBAGLBSA-N 2 2 273.207 3.225 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCCF)C1 ZINC000361003983 393636901 /nfs/dbraw/zinc/63/69/01/393636901.db2.gz PVWCZNODNRFOQU-ZBFHGGJFSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCCF)C1 ZINC000361003983 393636908 /nfs/dbraw/zinc/63/69/08/393636908.db2.gz PVWCZNODNRFOQU-ZBFHGGJFSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000422844269 393644612 /nfs/dbraw/zinc/64/46/12/393644612.db2.gz LJFAHCGHNKCASM-GLQYFDAESA-N 2 2 294.439 3.483 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422947341 393647940 /nfs/dbraw/zinc/64/79/40/393647940.db2.gz QHZGGELSDRUHAG-NZVBXONLSA-N 2 2 264.800 3.057 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423230230 393654696 /nfs/dbraw/zinc/65/46/96/393654696.db2.gz DBFHNFLAUCKAHJ-IUODEOHRSA-N 2 2 268.351 3.004 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423257951 393656473 /nfs/dbraw/zinc/65/64/73/393656473.db2.gz AVCLTTBVZVJHBC-GXTWGEPZSA-N 2 2 282.428 3.326 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000423265762 393657458 /nfs/dbraw/zinc/65/74/58/393657458.db2.gz CYNORPXNCQKDHP-ZVZYQTTQSA-N 3 2 298.434 3.040 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1F ZINC000423298066 393660186 /nfs/dbraw/zinc/66/01/86/393660186.db2.gz MZBMCIUSJVXGAZ-WFASDCNBSA-N 2 2 252.377 3.384 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423299167 393660344 /nfs/dbraw/zinc/66/03/44/393660344.db2.gz PNUCVGMXJMRJGF-GXTWGEPZSA-N 2 2 281.419 3.060 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000423400084 393665716 /nfs/dbraw/zinc/66/57/16/393665716.db2.gz WQRBVRKNADTRAC-HZPDHXFCSA-N 2 2 258.409 3.042 20 0 CGADLP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491434222 393689186 /nfs/dbraw/zinc/68/91/86/393689186.db2.gz RNEJKACLHYECHE-RDJZCZTQSA-N 2 2 290.451 3.084 20 0 CGADLP COCC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491434222 393689189 /nfs/dbraw/zinc/68/91/89/393689189.db2.gz RNEJKACLHYECHE-RDJZCZTQSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495021996 393777166 /nfs/dbraw/zinc/77/71/66/393777166.db2.gz BBDDJTYVOFMTAV-NFAWXSAZSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495021996 393777167 /nfs/dbraw/zinc/77/71/67/393777167.db2.gz BBDDJTYVOFMTAV-NFAWXSAZSA-N 2 2 286.410 3.274 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000498380334 393781879 /nfs/dbraw/zinc/78/18/79/393781879.db2.gz FZRIECRKWRLTNT-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)C[N@@H+]1C1CC1 ZINC000449348130 393878279 /nfs/dbraw/zinc/87/82/79/393878279.db2.gz FKWYKINDYWEQRT-VFVRVIDISA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)C[N@H+]1C1CC1 ZINC000449348130 393878283 /nfs/dbraw/zinc/87/82/83/393878283.db2.gz FKWYKINDYWEQRT-VFVRVIDISA-N 2 2 288.410 3.418 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cscc1Cl)C1CCCC1 ZINC000666970635 542830756 /nfs/dbraw/zinc/83/07/56/542830756.db2.gz JKXCTUUJRUOAHZ-GFCCVEGCSA-N 2 2 258.818 3.009 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998413 542835236 /nfs/dbraw/zinc/83/52/36/542835236.db2.gz SJSMUGXDWPJSIP-HNNXBMFYSA-N 2 2 297.402 3.106 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565625 394020087 /nfs/dbraw/zinc/02/00/87/394020087.db2.gz KYFUPTMDEARLCA-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565625 394020090 /nfs/dbraw/zinc/02/00/90/394020090.db2.gz KYFUPTMDEARLCA-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565625 394020092 /nfs/dbraw/zinc/02/00/92/394020092.db2.gz KYFUPTMDEARLCA-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565625 394020093 /nfs/dbraw/zinc/02/00/93/394020093.db2.gz KYFUPTMDEARLCA-RDTXWAMCSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2Cl)C1 ZINC000450475103 393999250 /nfs/dbraw/zinc/99/92/50/393999250.db2.gz VPFLDTUIFKGNJP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cccc2Cl)C1 ZINC000450475103 393999255 /nfs/dbraw/zinc/99/92/55/393999255.db2.gz VPFLDTUIFKGNJP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cccc2Cl)C1 ZINC000450475103 393999258 /nfs/dbraw/zinc/99/92/58/393999258.db2.gz VPFLDTUIFKGNJP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC000450475103 393999261 /nfs/dbraw/zinc/99/92/61/393999261.db2.gz VPFLDTUIFKGNJP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccncc1 ZINC000453125909 394180196 /nfs/dbraw/zinc/18/01/96/394180196.db2.gz JWTKIABSFXPTQU-OAHLLOKOSA-N 2 2 270.380 3.020 20 0 CGADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccncc1 ZINC000453080629 394164408 /nfs/dbraw/zinc/16/44/08/394164408.db2.gz KBKRPXZSNCWAEV-MRXNPFEDSA-N 2 2 294.402 3.481 20 0 CGADLP CCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCC1 ZINC000453110704 394174376 /nfs/dbraw/zinc/17/43/76/394174376.db2.gz NZZORFRAOCQYIJ-QGZVFWFLSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000453115183 394176016 /nfs/dbraw/zinc/17/60/16/394176016.db2.gz HURWZAHKKYUIMC-JKSUJKDBSA-N 2 2 284.407 3.205 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000453366848 394225305 /nfs/dbraw/zinc/22/53/05/394225305.db2.gz SZYPSOLBVSBMGB-CZUORRHYSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000453366848 394225309 /nfs/dbraw/zinc/22/53/09/394225309.db2.gz SZYPSOLBVSBMGB-CZUORRHYSA-N 2 2 288.410 3.116 20 0 CGADLP Fc1cccc(C[N@H+](Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000667498915 542878232 /nfs/dbraw/zinc/87/82/32/542878232.db2.gz XEWNVZGEHBPPNN-UHFFFAOYSA-N 2 2 285.366 3.133 20 0 CGADLP Fc1cccc(C[N@@H+](Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000667498915 542878235 /nfs/dbraw/zinc/87/82/35/542878235.db2.gz XEWNVZGEHBPPNN-UHFFFAOYSA-N 2 2 285.366 3.133 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1Cl ZINC000667504391 542881624 /nfs/dbraw/zinc/88/16/24/542881624.db2.gz QQMIDJQIJCPRKB-UHFFFAOYSA-N 2 2 277.799 3.404 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1Cl ZINC000667504391 542881627 /nfs/dbraw/zinc/88/16/27/542881627.db2.gz QQMIDJQIJCPRKB-UHFFFAOYSA-N 2 2 277.799 3.404 20 0 CGADLP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667543055 542886961 /nfs/dbraw/zinc/88/69/61/542886961.db2.gz OAZPHLVFOOAWRC-INIZCTEOSA-N 2 2 299.393 3.176 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CCc2cccc(F)c2)C2CC2)n1C ZINC000667641290 542903243 /nfs/dbraw/zinc/90/32/43/542903243.db2.gz NWYKCGZMKNWSAP-UHFFFAOYSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)n1C ZINC000667641290 542903246 /nfs/dbraw/zinc/90/32/46/542903246.db2.gz NWYKCGZMKNWSAP-UHFFFAOYSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CC(C)C)CC(C)(C)C)n1C ZINC000667683474 542915216 /nfs/dbraw/zinc/91/52/16/542915216.db2.gz QXLWAABESSVIMJ-UHFFFAOYSA-N 2 2 251.418 3.233 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CC(C)C)CC(C)(C)C)n1C ZINC000667683474 542915218 /nfs/dbraw/zinc/91/52/18/542915218.db2.gz QXLWAABESSVIMJ-UHFFFAOYSA-N 2 2 251.418 3.233 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)n1C ZINC000667683644 542915794 /nfs/dbraw/zinc/91/57/94/542915794.db2.gz WYQLMLUEATYSOF-IUODEOHRSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)n1C ZINC000667683644 542915797 /nfs/dbraw/zinc/91/57/97/542915797.db2.gz WYQLMLUEATYSOF-IUODEOHRSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)n1C ZINC000668291068 543002696 /nfs/dbraw/zinc/00/26/96/543002696.db2.gz DJDGBUHCZDWCRX-GFCCVEGCSA-N 2 2 287.382 3.029 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)n1C ZINC000668291068 543002698 /nfs/dbraw/zinc/00/26/98/543002698.db2.gz DJDGBUHCZDWCRX-GFCCVEGCSA-N 2 2 287.382 3.029 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669207 543041663 /nfs/dbraw/zinc/04/16/63/543041663.db2.gz OESRVNXWLKTHLH-ZJPYXAASSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669207 543041665 /nfs/dbraw/zinc/04/16/65/543041665.db2.gz OESRVNXWLKTHLH-ZJPYXAASSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC12CCC2 ZINC000669701854 543120198 /nfs/dbraw/zinc/12/01/98/543120198.db2.gz UFJRNJDSZUQKKI-GOSISDBHSA-N 2 2 299.462 3.491 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000671293849 543166953 /nfs/dbraw/zinc/16/69/53/543166953.db2.gz CCBKSXVHOUFBOH-SFHVURJKSA-N 2 2 272.436 3.002 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730704 543182457 /nfs/dbraw/zinc/18/24/57/543182457.db2.gz DYKZQUXTIUPAMH-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730704 543182460 /nfs/dbraw/zinc/18/24/60/543182460.db2.gz DYKZQUXTIUPAMH-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000109131865 397653721 /nfs/dbraw/zinc/65/37/21/397653721.db2.gz DLQZCKUWCNKXPX-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000109131865 397653723 /nfs/dbraw/zinc/65/37/23/397653723.db2.gz DLQZCKUWCNKXPX-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]CC[N@H+](CCCOCc1ccccc1)Cc1ccccc1 ZINC000306416703 397677618 /nfs/dbraw/zinc/67/76/18/397677618.db2.gz RUHPKGKQDKIQEA-UHFFFAOYSA-N 2 2 298.430 3.054 20 0 CGADLP [NH3+]CC[N@@H+](CCCOCc1ccccc1)Cc1ccccc1 ZINC000306416703 397677620 /nfs/dbraw/zinc/67/76/20/397677620.db2.gz RUHPKGKQDKIQEA-UHFFFAOYSA-N 2 2 298.430 3.054 20 0 CGADLP C[NH2+]Cc1ccccc1CNc1[nH+]ccc(C)c1Cl ZINC000650306699 397813937 /nfs/dbraw/zinc/81/39/37/397813937.db2.gz YDIJNSBRJJKKGU-UHFFFAOYSA-N 2 2 275.783 3.375 20 0 CGADLP C[C@H](C[NH2+]Cc1ccccc1C1CC1)Cn1cc[nH+]c1 ZINC000674334521 543281138 /nfs/dbraw/zinc/28/11/38/543281138.db2.gz RXTFZCYEYXQNHS-CQSZACIVSA-N 2 2 269.392 3.186 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710471 397898083 /nfs/dbraw/zinc/89/80/83/397898083.db2.gz PQRLEBPBLGHUEB-DLBZAZTESA-N 3 2 295.515 3.151 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710471 397898084 /nfs/dbraw/zinc/89/80/84/397898084.db2.gz PQRLEBPBLGHUEB-DLBZAZTESA-N 3 2 295.515 3.151 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000650720148 397901865 /nfs/dbraw/zinc/90/18/65/397901865.db2.gz GMFHIBFGMDIOEM-UHFFFAOYSA-N 2 2 260.381 3.219 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000650720148 397901867 /nfs/dbraw/zinc/90/18/67/397901867.db2.gz GMFHIBFGMDIOEM-UHFFFAOYSA-N 2 2 260.381 3.219 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000675765349 543361446 /nfs/dbraw/zinc/36/14/46/543361446.db2.gz DCACVEMWWJXLSG-UKRRQHHQSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000675765349 543361448 /nfs/dbraw/zinc/36/14/48/543361448.db2.gz DCACVEMWWJXLSG-UKRRQHHQSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000675766020 543361805 /nfs/dbraw/zinc/36/18/05/543361805.db2.gz GJWNYHHMCAAYAC-STQMWFEESA-N 2 2 298.377 3.341 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675765680 543361831 /nfs/dbraw/zinc/36/18/31/543361831.db2.gz FHSZGGCRMXGNMP-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675765680 543361832 /nfs/dbraw/zinc/36/18/32/543361832.db2.gz FHSZGGCRMXGNMP-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000675765679 543361853 /nfs/dbraw/zinc/36/18/53/543361853.db2.gz FEMLAGNDVGUQKP-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000675765679 543361854 /nfs/dbraw/zinc/36/18/54/543361854.db2.gz FEMLAGNDVGUQKP-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1F ZINC000675766258 543362417 /nfs/dbraw/zinc/36/24/17/543362417.db2.gz ITEHVUQNEYOIBH-DGCLKSJQSA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000675766258 543362419 /nfs/dbraw/zinc/36/24/19/543362419.db2.gz ITEHVUQNEYOIBH-DGCLKSJQSA-N 2 2 282.428 3.292 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000675731729 543358627 /nfs/dbraw/zinc/35/86/27/543358627.db2.gz QNSJMQHBLRYEIO-KRWDZBQOSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834672 543368650 /nfs/dbraw/zinc/36/86/50/543368650.db2.gz XVBLYNUGSKGCNA-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834672 543368651 /nfs/dbraw/zinc/36/86/51/543368651.db2.gz XVBLYNUGSKGCNA-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000677754963 543463940 /nfs/dbraw/zinc/46/39/40/543463940.db2.gz NSAZSICFSFGANR-NSHDSACASA-N 2 2 279.453 3.119 20 0 CGADLP CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000677984857 543474793 /nfs/dbraw/zinc/47/47/93/543474793.db2.gz SAQBJDXWTPJTQA-QGZVFWFLSA-N 2 2 269.392 3.139 20 0 CGADLP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000677984857 543474796 /nfs/dbraw/zinc/47/47/96/543474796.db2.gz SAQBJDXWTPJTQA-QGZVFWFLSA-N 2 2 269.392 3.139 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235146 543498048 /nfs/dbraw/zinc/49/80/48/543498048.db2.gz OVLRKCLURQSXDK-ZDUSSCGKSA-N 2 2 275.421 3.344 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000678235146 543498051 /nfs/dbraw/zinc/49/80/51/543498051.db2.gz OVLRKCLURQSXDK-ZDUSSCGKSA-N 2 2 275.421 3.344 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235025 543498407 /nfs/dbraw/zinc/49/84/07/543498407.db2.gz NFKBFTGKUQLFOI-XKKXFUJGSA-N 2 2 285.366 3.373 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235025 543498410 /nfs/dbraw/zinc/49/84/10/543498410.db2.gz NFKBFTGKUQLFOI-XKKXFUJGSA-N 2 2 285.366 3.373 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)[nH+]1 ZINC000678267851 543505221 /nfs/dbraw/zinc/50/52/21/543505221.db2.gz XCZRQALZCCYAQU-OAHLLOKOSA-N 2 2 297.402 3.155 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000558219314 289478845 /nfs/dbraw/zinc/47/88/45/289478845.db2.gz ABMDQKDZTKBZRJ-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081637163 287075787 /nfs/dbraw/zinc/07/57/87/287075787.db2.gz NHTYGCKIDDSYDM-DLBZAZTESA-N 2 2 264.457 3.277 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000069286834 165050349 /nfs/dbraw/zinc/05/03/49/165050349.db2.gz YGYDUTMOSSTTOS-KRWDZBQOSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000069286834 165050354 /nfs/dbraw/zinc/05/03/54/165050354.db2.gz YGYDUTMOSSTTOS-KRWDZBQOSA-N 2 2 296.414 3.175 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000090858061 165245847 /nfs/dbraw/zinc/24/58/47/165245847.db2.gz BGBQZJIPPSYNKH-JCGIZDLHSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1nccs1)C(C)C ZINC000091731963 165269389 /nfs/dbraw/zinc/26/93/89/165269389.db2.gz AHRWUTJSSKFUMO-CYBMUJFWSA-N 2 2 269.458 3.303 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000091307959 287107295 /nfs/dbraw/zinc/10/72/95/287107295.db2.gz BDXAXYNSWJXPJI-IAGOWNOFSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000091307959 287107297 /nfs/dbraw/zinc/10/72/97/287107297.db2.gz BDXAXYNSWJXPJI-IAGOWNOFSA-N 2 2 258.409 3.130 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000430748790 287107457 /nfs/dbraw/zinc/10/74/57/287107457.db2.gz GFQGNVLGZXXRBQ-YJNKXOJESA-N 2 2 261.413 3.002 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C(C)C)cc1 ZINC000091333677 287107593 /nfs/dbraw/zinc/10/75/93/287107593.db2.gz JGGCPWYYKGWJJA-KDOFPFPSSA-N 2 2 290.451 3.465 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000091333677 287107595 /nfs/dbraw/zinc/10/75/95/287107595.db2.gz JGGCPWYYKGWJJA-KDOFPFPSSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccn2CCC(C)C)C1 ZINC000093770791 287119265 /nfs/dbraw/zinc/11/92/65/287119265.db2.gz WVPZKCPGOBLFNJ-KRWDZBQOSA-N 2 2 291.483 3.308 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccn2CCC(C)C)C1 ZINC000093770791 287119270 /nfs/dbraw/zinc/11/92/70/287119270.db2.gz WVPZKCPGOBLFNJ-KRWDZBQOSA-N 2 2 291.483 3.308 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000093770791 287119273 /nfs/dbraw/zinc/11/92/73/287119273.db2.gz WVPZKCPGOBLFNJ-KRWDZBQOSA-N 2 2 291.483 3.308 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn2CCC(C)C)C1 ZINC000093770791 287119276 /nfs/dbraw/zinc/11/92/76/287119276.db2.gz WVPZKCPGOBLFNJ-KRWDZBQOSA-N 2 2 291.483 3.308 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000166901312 165493900 /nfs/dbraw/zinc/49/39/00/165493900.db2.gz UYAIEAIOCRVVON-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC000166901312 165493902 /nfs/dbraw/zinc/49/39/02/165493902.db2.gz UYAIEAIOCRVVON-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000119045643 287164112 /nfs/dbraw/zinc/16/41/12/287164112.db2.gz WRDAVEHHIMEOLW-WMLDXEAASA-N 2 2 278.440 3.466 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000284461647 196061938 /nfs/dbraw/zinc/06/19/38/196061938.db2.gz TXGSCBAVNZQWMG-LTCOOKNTSA-N 2 2 299.418 3.062 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129114 171016916 /nfs/dbraw/zinc/01/69/16/171016916.db2.gz IGGQCNVZQJDWHE-UHFFFAOYSA-N 2 2 270.779 3.055 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186751 171050714 /nfs/dbraw/zinc/05/07/14/171050714.db2.gz UJQZASQAYQSIIQ-CHWSQXEVSA-N 2 2 259.397 3.369 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000020189744 171055326 /nfs/dbraw/zinc/05/53/26/171055326.db2.gz DFYLKOQYYVHAGT-CYBMUJFWSA-N 2 2 250.386 3.113 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506187 171228204 /nfs/dbraw/zinc/22/82/04/171228204.db2.gz IXZZKZANUCYDLI-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)on1)C[C@H]1CCC[NH+](C)C1 ZINC000285223575 196225897 /nfs/dbraw/zinc/22/58/97/196225897.db2.gz XRHSRWBLFMYWQY-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)on1)C[C@H]1CCC[NH+](C)C1 ZINC000285223575 196225899 /nfs/dbraw/zinc/22/58/99/196225899.db2.gz XRHSRWBLFMYWQY-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@H]1CCC[N@H+](C)C1 ZINC000285223575 196225900 /nfs/dbraw/zinc/22/59/00/196225900.db2.gz XRHSRWBLFMYWQY-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@H]1CCC[N@@H+](C)C1 ZINC000285223575 196225902 /nfs/dbraw/zinc/22/59/02/196225902.db2.gz XRHSRWBLFMYWQY-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631809 196350379 /nfs/dbraw/zinc/35/03/79/196350379.db2.gz AGYKNDCCYUKOPH-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631809 196350380 /nfs/dbraw/zinc/35/03/80/196350380.db2.gz AGYKNDCCYUKOPH-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000037249456 173062253 /nfs/dbraw/zinc/06/22/53/173062253.db2.gz QFBFRGRESZNQKA-INIZCTEOSA-N 2 2 257.381 3.260 20 0 CGADLP CCCn1c2ccc(F)cc2[nH+]c1CCCCC[NH3+] ZINC000037439532 173209550 /nfs/dbraw/zinc/20/95/50/173209550.db2.gz JTZQVYVOFHUQBG-UHFFFAOYSA-N 2 2 263.360 3.257 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000038029033 174018620 /nfs/dbraw/zinc/01/86/20/174018620.db2.gz QVEBOQUEHHBRSJ-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000040592219 174347770 /nfs/dbraw/zinc/34/77/70/174347770.db2.gz HCVNIDXUYFCBJC-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000040592219 174347772 /nfs/dbraw/zinc/34/77/72/174347772.db2.gz HCVNIDXUYFCBJC-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000043324781 175006808 /nfs/dbraw/zinc/00/68/08/175006808.db2.gz HGIKXROEJFYXGI-DZGCQCFKSA-N 2 2 254.377 3.242 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000127842562 287297161 /nfs/dbraw/zinc/29/71/61/287297161.db2.gz ZNGAGQMQHFKVHZ-ZDUSSCGKSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000127842562 287297164 /nfs/dbraw/zinc/29/71/64/287297164.db2.gz ZNGAGQMQHFKVHZ-ZDUSSCGKSA-N 2 2 264.388 3.003 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180686 175630772 /nfs/dbraw/zinc/63/07/72/175630772.db2.gz YELAZTUVWQQHPT-UHFFFAOYSA-N 2 2 283.485 3.262 20 0 CGADLP c1ccc(NCc2ccccc2C[NH+]2CCCC2)[nH+]c1 ZINC000070794094 176005884 /nfs/dbraw/zinc/00/58/84/176005884.db2.gz DUEZTKZLMPZACC-UHFFFAOYSA-N 2 2 267.376 3.290 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129223267 287327012 /nfs/dbraw/zinc/32/70/12/287327012.db2.gz LFHRYXRDXOJGAF-HZPDHXFCSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129298505 287328341 /nfs/dbraw/zinc/32/83/41/287328341.db2.gz LPYSAGLVLUJBNE-HZSPNIEDSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129298505 287328344 /nfs/dbraw/zinc/32/83/44/287328344.db2.gz LPYSAGLVLUJBNE-HZSPNIEDSA-N 2 2 292.389 3.429 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000063188674 416487781 /nfs/dbraw/zinc/48/77/81/416487781.db2.gz VQAFAKAXUYLSOE-HOTGVXAUSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000063188674 416487785 /nfs/dbraw/zinc/48/77/85/416487785.db2.gz VQAFAKAXUYLSOE-HOTGVXAUSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c(C)s1 ZINC000401726534 416546975 /nfs/dbraw/zinc/54/69/75/416546975.db2.gz QUDVFLDALUGNFB-SUZMYJTESA-N 2 2 252.427 3.014 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)[C@H]1CC[NH3+] ZINC000404307905 416552494 /nfs/dbraw/zinc/55/24/94/416552494.db2.gz GLYJJPZZXYTSIE-JSGCOSHPSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H]1CC[NH3+] ZINC000404307905 416552498 /nfs/dbraw/zinc/55/24/98/416552498.db2.gz GLYJJPZZXYTSIE-JSGCOSHPSA-N 2 2 295.496 3.390 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000130017347 287343333 /nfs/dbraw/zinc/34/33/33/287343333.db2.gz VDVIVACDYFUEMY-GFCCVEGCSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H](CCCCO)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000679342277 543622408 /nfs/dbraw/zinc/62/24/08/543622408.db2.gz NVHFLEIKBSBJRA-HZPDHXFCSA-N 2 2 292.467 3.257 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679534347 543643752 /nfs/dbraw/zinc/64/37/52/543643752.db2.gz LJTQARMEINXGCZ-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679534347 543643755 /nfs/dbraw/zinc/64/37/55/543643755.db2.gz LJTQARMEINXGCZ-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000679574310 543647402 /nfs/dbraw/zinc/64/74/02/543647402.db2.gz HFKNBMKJCDZHOP-LLVKDONJSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680326742 543697479 /nfs/dbraw/zinc/69/74/79/543697479.db2.gz ICYSZGFRPXWXQG-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680326742 543697481 /nfs/dbraw/zinc/69/74/81/543697481.db2.gz ICYSZGFRPXWXQG-IKGGRYGDSA-N 2 2 264.457 3.373 20 0 CGADLP CC1CC[NH+]([C@@H](C[NH2+]C2CSC2)c2ccccc2)CC1 ZINC000679840626 543663991 /nfs/dbraw/zinc/66/39/91/543663991.db2.gz LKHLWYUUUXWODS-KRWDZBQOSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1F ZINC000680335763 543699745 /nfs/dbraw/zinc/69/97/45/543699745.db2.gz ZXTLJAQAANPVKT-SMDDNHRTSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1F ZINC000680335763 543699747 /nfs/dbraw/zinc/69/97/47/543699747.db2.gz ZXTLJAQAANPVKT-SMDDNHRTSA-N 2 2 279.384 3.114 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1Cl ZINC000130388322 287354067 /nfs/dbraw/zinc/35/40/67/287354067.db2.gz YQJSSSVGYKNWEU-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1Cl ZINC000130388322 287354068 /nfs/dbraw/zinc/35/40/68/287354068.db2.gz YQJSSSVGYKNWEU-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)c[nH+]1 ZINC000680372356 543704977 /nfs/dbraw/zinc/70/49/77/543704977.db2.gz FKKJDOAVGISBMJ-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)c[nH+]1 ZINC000680372356 543704979 /nfs/dbraw/zinc/70/49/79/543704979.db2.gz FKKJDOAVGISBMJ-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000681113036 543767740 /nfs/dbraw/zinc/76/77/40/543767740.db2.gz VXNQSIVNWFXSPV-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000681113036 543767742 /nfs/dbraw/zinc/76/77/42/543767742.db2.gz VXNQSIVNWFXSPV-KRWDZBQOSA-N 2 2 260.425 3.036 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114382 543768317 /nfs/dbraw/zinc/76/83/17/543768317.db2.gz RUHIWLUCQLNAHV-SMOPSLFNSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114382 543768320 /nfs/dbraw/zinc/76/83/20/543768320.db2.gz RUHIWLUCQLNAHV-SMOPSLFNSA-N 2 2 294.389 3.455 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069063 543819546 /nfs/dbraw/zinc/81/95/46/543819546.db2.gz JMPXBYHOTFQXHX-NVXWUHKLSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069063 543819547 /nfs/dbraw/zinc/81/95/47/543819547.db2.gz JMPXBYHOTFQXHX-NVXWUHKLSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000131130341 287371569 /nfs/dbraw/zinc/37/15/69/287371569.db2.gz CAKYSYIZJMIVAH-UHFFFAOYSA-N 2 2 281.359 3.318 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000683693550 543932222 /nfs/dbraw/zinc/93/22/22/543932222.db2.gz DXSGJNRRAMYONY-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000683693550 543932225 /nfs/dbraw/zinc/93/22/25/543932225.db2.gz DXSGJNRRAMYONY-AWEZNQCLSA-N 2 2 280.481 3.391 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4cnccc4c3)CC2)[nH]1 ZINC000683827733 543945067 /nfs/dbraw/zinc/94/50/67/543945067.db2.gz MRACCRRIMMLDDW-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cc(C(C)C)no2)c[nH+]1 ZINC000684377992 543988856 /nfs/dbraw/zinc/98/88/56/543988856.db2.gz HVYVKJDUEJMFLH-UHFFFAOYSA-N 2 2 273.380 3.224 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+]C1CSC1)c1ccc(Cl)cc1 ZINC000685436176 544070079 /nfs/dbraw/zinc/07/00/79/544070079.db2.gz SCWZHMNPSZEBGQ-HNNXBMFYSA-N 2 2 298.883 3.428 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C1CSC1)c1ccc(Cl)cc1 ZINC000685436176 544070085 /nfs/dbraw/zinc/07/00/85/544070085.db2.gz SCWZHMNPSZEBGQ-HNNXBMFYSA-N 2 2 298.883 3.428 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC000685462454 544075086 /nfs/dbraw/zinc/07/50/86/544075086.db2.gz UJMDWUJWMSDYIJ-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC000685462454 544075088 /nfs/dbraw/zinc/07/50/88/544075088.db2.gz UJMDWUJWMSDYIJ-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000684955944 544044620 /nfs/dbraw/zinc/04/46/20/544044620.db2.gz SUSLTNCDURJNDL-QGZVFWFLSA-N 2 2 285.435 3.066 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000685662262 544093534 /nfs/dbraw/zinc/09/35/34/544093534.db2.gz CJTDZLMGCORZDP-OWCLPIDISA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000685662262 544093535 /nfs/dbraw/zinc/09/35/35/544093535.db2.gz CJTDZLMGCORZDP-OWCLPIDISA-N 2 2 281.403 3.193 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCc1ccc(F)cc1Cl ZINC000685839912 544100442 /nfs/dbraw/zinc/10/04/42/544100442.db2.gz YEEDMIXYWMDHLU-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000367106506 227012348 /nfs/dbraw/zinc/01/23/48/227012348.db2.gz JPBFOBITCNJRST-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000367106506 227012352 /nfs/dbraw/zinc/01/23/52/227012352.db2.gz JPBFOBITCNJRST-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000652222435 418937434 /nfs/dbraw/zinc/93/74/34/418937434.db2.gz ORQPXHOWWQQQRS-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccncc1Cl ZINC000652222435 418937437 /nfs/dbraw/zinc/93/74/37/418937437.db2.gz ORQPXHOWWQQQRS-CYBMUJFWSA-N 2 2 283.847 3.364 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940153 /nfs/dbraw/zinc/94/01/53/418940153.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940155 /nfs/dbraw/zinc/94/01/55/418940155.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940158 /nfs/dbraw/zinc/94/01/58/418940158.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652237350 418940161 /nfs/dbraw/zinc/94/01/61/418940161.db2.gz NCTSZHPGSSAYFC-DLBZAZTESA-N 3 2 295.515 3.103 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000653547975 419045568 /nfs/dbraw/zinc/04/55/68/419045568.db2.gz HGDHZGWVRZPATH-HNNXBMFYSA-N 2 2 261.413 3.346 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CC1 ZINC000653547975 419045571 /nfs/dbraw/zinc/04/55/71/419045571.db2.gz HGDHZGWVRZPATH-HNNXBMFYSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)C[N@@H+]1Cc1ccccc1 ZINC000665233234 419086967 /nfs/dbraw/zinc/08/69/67/419086967.db2.gz CCNZOYBZAOHHDJ-HNAYVOBHSA-N 2 2 295.430 3.021 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N)c2)C[N@H+]1Cc1ccccc1 ZINC000665233234 419086971 /nfs/dbraw/zinc/08/69/71/419086971.db2.gz CCNZOYBZAOHHDJ-HNAYVOBHSA-N 2 2 295.430 3.021 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241769 419089005 /nfs/dbraw/zinc/08/90/05/419089005.db2.gz YLMWDFHQVPIHJM-WQVCFCJDSA-N 2 2 264.388 3.253 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCCC1 ZINC000665248388 419092490 /nfs/dbraw/zinc/09/24/90/419092490.db2.gz WDZKUAHOEBELEZ-KRWDZBQOSA-N 2 2 299.393 3.171 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)o1 ZINC000665250481 419093080 /nfs/dbraw/zinc/09/30/80/419093080.db2.gz SFRGEDQYZREKLI-DJIMGWMZSA-N 2 2 284.403 3.384 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278121 419100306 /nfs/dbraw/zinc/10/03/06/419100306.db2.gz VOADRMADXFGLGF-FUJMWEONSA-N 2 2 276.449 3.201 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccoc1 ZINC000665280073 419101122 /nfs/dbraw/zinc/10/11/22/419101122.db2.gz SGLABIAATPJOHC-OGVSOVDVSA-N 2 2 262.397 3.099 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278946 419101841 /nfs/dbraw/zinc/10/18/41/419101841.db2.gz SMMBHEUOBIKWTB-LKGZKJKYSA-N 2 2 288.410 3.399 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)c[nH+]c12 ZINC000655810528 419103762 /nfs/dbraw/zinc/10/37/62/419103762.db2.gz FLWIXOVBNHAJRM-DLBZAZTESA-N 2 2 299.418 3.080 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000665294319 419106258 /nfs/dbraw/zinc/10/62/58/419106258.db2.gz MNNVSSAZLYVJQW-ACJLOTCBSA-N 2 2 286.419 3.497 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000665293889 419107757 /nfs/dbraw/zinc/10/77/57/419107757.db2.gz DWRFTKKSXLGBQU-BDAKNGLRSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000665295732 419108707 /nfs/dbraw/zinc/10/87/07/419108707.db2.gz IIYKMDBEGHFEPI-IUCAKERBSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000665296506 419109535 /nfs/dbraw/zinc/10/95/35/419109535.db2.gz TZPRZLHJSSKUSC-HNAYVOBHSA-N 2 2 298.430 3.177 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850785 419120103 /nfs/dbraw/zinc/12/01/03/419120103.db2.gz YUUHUZBJYFTONB-QXSJWSMHSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850785 419120105 /nfs/dbraw/zinc/12/01/05/419120105.db2.gz YUUHUZBJYFTONB-QXSJWSMHSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849690 419121063 /nfs/dbraw/zinc/12/10/63/419121063.db2.gz PJMSNEDZKSXRNL-FVQBIDKESA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849690 419121067 /nfs/dbraw/zinc/12/10/67/419121067.db2.gz PJMSNEDZKSXRNL-FVQBIDKESA-N 2 2 278.465 3.286 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000655855971 419122703 /nfs/dbraw/zinc/12/27/03/419122703.db2.gz JWUDBRJLDPXCFJ-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000655855971 419122706 /nfs/dbraw/zinc/12/27/06/419122706.db2.gz JWUDBRJLDPXCFJ-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590062 419055184 /nfs/dbraw/zinc/05/51/84/419055184.db2.gz LZBBYQGCAKVLLK-KDOFPFPSSA-N 2 2 295.430 3.459 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590062 419055186 /nfs/dbraw/zinc/05/51/86/419055186.db2.gz LZBBYQGCAKVLLK-KDOFPFPSSA-N 2 2 295.430 3.459 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(SC)c1 ZINC000659996392 419059524 /nfs/dbraw/zinc/05/95/24/419059524.db2.gz GUSZOWRZWVZTIT-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(SC)c1 ZINC000659996392 419059526 /nfs/dbraw/zinc/05/95/26/419059526.db2.gz GUSZOWRZWVZTIT-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(SC)c1 ZINC000659996392 419059529 /nfs/dbraw/zinc/05/95/29/419059529.db2.gz GUSZOWRZWVZTIT-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(SC)c1 ZINC000659996392 419059534 /nfs/dbraw/zinc/05/95/34/419059534.db2.gz GUSZOWRZWVZTIT-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655682711 419063652 /nfs/dbraw/zinc/06/36/52/419063652.db2.gz ITAFDSUXZIABSV-JSGCOSHPSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CS1 ZINC000655696232 419068119 /nfs/dbraw/zinc/06/81/19/419068119.db2.gz DNHGSDRAUREOKR-OIISXLGYSA-N 2 2 292.492 3.033 20 0 CGADLP COc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1Cl ZINC000660463594 419148205 /nfs/dbraw/zinc/14/82/05/419148205.db2.gz FPIGGWJSKAYZGG-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1Cl ZINC000660463594 419148209 /nfs/dbraw/zinc/14/82/09/419148209.db2.gz FPIGGWJSKAYZGG-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201354 419149757 /nfs/dbraw/zinc/14/97/57/419149757.db2.gz WHEKYHNKEOTOJA-IAGOWNOFSA-N 2 2 282.387 3.238 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000656276180 419163785 /nfs/dbraw/zinc/16/37/85/419163785.db2.gz BOBYSTHNRKVAIK-FCGDIQPGSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000656276180 419163789 /nfs/dbraw/zinc/16/37/89/419163789.db2.gz BOBYSTHNRKVAIK-FCGDIQPGSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@@H](C)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656472612 419175455 /nfs/dbraw/zinc/17/54/55/419175455.db2.gz LNCYBLFEIKHPFX-GFCCVEGCSA-N 2 2 296.378 3.059 20 0 CGADLP c1cn2c(cccc2C[NH+]2CC(Cc3ccccc3)C2)[nH+]1 ZINC000656651700 419192548 /nfs/dbraw/zinc/19/25/48/419192548.db2.gz CISXOJSAGFLCTN-UHFFFAOYSA-N 2 2 277.371 3.009 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000655937563 419127975 /nfs/dbraw/zinc/12/79/75/419127975.db2.gz AGALUOQUFUGGCC-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000655937563 419127979 /nfs/dbraw/zinc/12/79/79/419127979.db2.gz AGALUOQUFUGGCC-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP c1csc([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000657295810 419245241 /nfs/dbraw/zinc/24/52/41/419245241.db2.gz ZMDRFRXYCZMADY-HNNXBMFYSA-N 2 2 273.405 3.132 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cc3ccncc3s2)c[nH+]1 ZINC000657323663 419250832 /nfs/dbraw/zinc/25/08/32/419250832.db2.gz JKYCWMRQMRFGPA-UHFFFAOYSA-N 2 2 286.404 3.063 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)n1C ZINC000657376831 419264601 /nfs/dbraw/zinc/26/46/01/419264601.db2.gz ORAQEMOWTHIYBP-KRWDZBQOSA-N 2 2 269.392 3.360 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000656675372 419197959 /nfs/dbraw/zinc/19/79/59/419197959.db2.gz DFCBLZRREUTNFB-HOCLYGCPSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000656675372 419197963 /nfs/dbraw/zinc/19/79/63/419197963.db2.gz DFCBLZRREUTNFB-HOCLYGCPSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000656676262 419198067 /nfs/dbraw/zinc/19/80/67/419198067.db2.gz NHQNDKXQQUSUAB-BLLLJJGKSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000656676262 419198069 /nfs/dbraw/zinc/19/80/69/419198069.db2.gz NHQNDKXQQUSUAB-BLLLJJGKSA-N 2 2 294.389 3.415 20 0 CGADLP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000656784601 419218770 /nfs/dbraw/zinc/21/87/70/419218770.db2.gz FFWMLUKYIKRFCS-NVXWUHKLSA-N 2 2 260.425 3.166 20 0 CGADLP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000656784601 419218772 /nfs/dbraw/zinc/21/87/72/419218772.db2.gz FFWMLUKYIKRFCS-NVXWUHKLSA-N 2 2 260.425 3.166 20 0 CGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Cl ZINC000657436084 419278394 /nfs/dbraw/zinc/27/83/94/419278394.db2.gz SJOMBNGDWMJONC-UHFFFAOYSA-N 2 2 275.783 3.081 20 0 CGADLP C[C@@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)CC(C)(C)C ZINC000657442177 419279358 /nfs/dbraw/zinc/27/93/58/419279358.db2.gz OJDLARJOLGBXHU-ZDUSSCGKSA-N 2 2 263.429 3.381 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000657443166 419280279 /nfs/dbraw/zinc/28/02/79/419280279.db2.gz ZTQFFJGUKFYIRM-DLBZAZTESA-N 2 2 295.430 3.330 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657472557 419285915 /nfs/dbraw/zinc/28/59/15/419285915.db2.gz VIHHXCVIQJWZEB-QGZVFWFLSA-N 2 2 281.403 3.305 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC[C@@H]1CCc3ccccc31)CCC2 ZINC000657476712 419287797 /nfs/dbraw/zinc/28/77/97/419287797.db2.gz DBVZBPUBAHZKPC-HNNXBMFYSA-N 2 2 281.403 3.039 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](C1CCC1)C1CCCC1)CCC2 ZINC000657498221 419294698 /nfs/dbraw/zinc/29/46/98/419294698.db2.gz CFJDIHIEERRJPD-QGZVFWFLSA-N 2 2 273.424 3.278 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccccc3C)CCC2)n1C ZINC000657501195 419295360 /nfs/dbraw/zinc/29/53/60/419295360.db2.gz SSHWEJPGTXSNBJ-UHFFFAOYSA-N 2 2 269.392 3.206 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+]1Cc1ccccc1 ZINC000657653432 419319524 /nfs/dbraw/zinc/31/95/24/419319524.db2.gz KWERZXSBTMOMST-MAUKXSAKSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+]1Cc1ccccc1 ZINC000657653432 419319526 /nfs/dbraw/zinc/31/95/26/419319526.db2.gz KWERZXSBTMOMST-MAUKXSAKSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523107 419296759 /nfs/dbraw/zinc/29/67/59/419296759.db2.gz DJZGSKNISHYTJW-BBRMVZONSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523107 419296761 /nfs/dbraw/zinc/29/67/61/419296761.db2.gz DJZGSKNISHYTJW-BBRMVZONSA-N 2 2 278.415 3.392 20 0 CGADLP COCCC1(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000657526232 419298300 /nfs/dbraw/zinc/29/83/00/419298300.db2.gz DMQYVULUSYORQI-MRXNPFEDSA-N 2 2 296.499 3.436 20 0 CGADLP COCCC1(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000657526232 419298302 /nfs/dbraw/zinc/29/83/02/419298302.db2.gz DMQYVULUSYORQI-MRXNPFEDSA-N 2 2 296.499 3.436 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644905 419318018 /nfs/dbraw/zinc/31/80/18/419318018.db2.gz GOBNICZLYXGZRL-GDBMZVCRSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644905 419318019 /nfs/dbraw/zinc/31/80/19/419318019.db2.gz GOBNICZLYXGZRL-GDBMZVCRSA-N 2 2 278.415 3.235 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)n1-c1ccccc1 ZINC000657667782 419323916 /nfs/dbraw/zinc/32/39/16/419323916.db2.gz RONJADJDSUQGDQ-RDTXWAMCSA-N 2 2 299.418 3.228 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC000657656630 419319874 /nfs/dbraw/zinc/31/98/74/419319874.db2.gz QRABNVUBQLKJEU-RYRKJORJSA-N 2 2 281.403 3.398 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C(C)C)C3CC3)n2c1 ZINC000657757208 419338414 /nfs/dbraw/zinc/33/84/14/419338414.db2.gz OKLSMYQQZDAGOX-INIZCTEOSA-N 2 2 257.381 3.167 20 0 CGADLP CCOc1ccc(NCc2c[nH+]c3c(C)cccn23)[nH+]c1C ZINC000657792169 419354232 /nfs/dbraw/zinc/35/42/32/419354232.db2.gz FUVHSFILCDBVMT-UHFFFAOYSA-N 2 2 296.374 3.357 20 0 CGADLP COc1cccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1C ZINC000657804212 419360448 /nfs/dbraw/zinc/36/04/48/419360448.db2.gz HKRCDNMXLSYVTL-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000657889289 419413011 /nfs/dbraw/zinc/41/30/11/419413011.db2.gz RRTUAICLHUGICV-BPQIPLTHSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000657889289 419413018 /nfs/dbraw/zinc/41/30/18/419413018.db2.gz RRTUAICLHUGICV-BPQIPLTHSA-N 2 2 299.462 3.214 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657819653 419370305 /nfs/dbraw/zinc/37/03/05/419370305.db2.gz FYEWMJDEILKQEZ-HZPDHXFCSA-N 2 2 278.465 3.165 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657822276 419372009 /nfs/dbraw/zinc/37/20/09/419372009.db2.gz YGVRSVUSJVOTPS-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657822276 419372014 /nfs/dbraw/zinc/37/20/14/419372014.db2.gz YGVRSVUSJVOTPS-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc2c(c1)CCCC2 ZINC000657832611 419376717 /nfs/dbraw/zinc/37/67/17/419376717.db2.gz GKPDGABNLCVSRC-JKSUJKDBSA-N 2 2 297.446 3.371 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657831533 419377574 /nfs/dbraw/zinc/37/75/74/419377574.db2.gz AGVPOQMOJKASQB-NWDGAFQWSA-N 2 2 264.404 3.232 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293084 419385100 /nfs/dbraw/zinc/38/51/00/419385100.db2.gz NRIABFGMAAUDJF-CYBMUJFWSA-N 2 2 256.340 3.085 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293084 419385103 /nfs/dbraw/zinc/38/51/03/419385103.db2.gz NRIABFGMAAUDJF-CYBMUJFWSA-N 2 2 256.340 3.085 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2cnccc2o1 ZINC000658007398 419491732 /nfs/dbraw/zinc/49/17/32/419491732.db2.gz QUJXEBGYPLKWPL-GFCCVEGCSA-N 2 2 296.374 3.211 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657954442 419462918 /nfs/dbraw/zinc/46/29/18/419462918.db2.gz URVASOKOWQLVPF-SCRDCRAPSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)[C@@H](C)C1 ZINC000657954442 419462923 /nfs/dbraw/zinc/46/29/23/419462923.db2.gz URVASOKOWQLVPF-SCRDCRAPSA-N 2 2 289.448 3.287 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058377 419529825 /nfs/dbraw/zinc/52/98/25/419529825.db2.gz SCHOOXQFUZZDJQ-CVEARBPZSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058377 419529835 /nfs/dbraw/zinc/52/98/35/419529835.db2.gz SCHOOXQFUZZDJQ-CVEARBPZSA-N 2 2 275.440 3.241 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658058767 419531144 /nfs/dbraw/zinc/53/11/44/419531144.db2.gz TXQKUJYYIXUCCO-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658058767 419531154 /nfs/dbraw/zinc/53/11/54/419531154.db2.gz TXQKUJYYIXUCCO-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658058766 419531179 /nfs/dbraw/zinc/53/11/79/419531179.db2.gz TXQKUJYYIXUCCO-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658058766 419531185 /nfs/dbraw/zinc/53/11/85/419531185.db2.gz TXQKUJYYIXUCCO-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000658059479 419533263 /nfs/dbraw/zinc/53/32/63/419533263.db2.gz JPEAFJOODNALSN-YLFCFFPRSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000658059479 419533269 /nfs/dbraw/zinc/53/32/69/419533269.db2.gz JPEAFJOODNALSN-YLFCFFPRSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658060404 419533315 /nfs/dbraw/zinc/53/33/15/419533315.db2.gz ZKEFIIOIGFDMMH-CHWSQXEVSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658060404 419533321 /nfs/dbraw/zinc/53/33/21/419533321.db2.gz ZKEFIIOIGFDMMH-CHWSQXEVSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccncc2s1 ZINC000658019963 419495941 /nfs/dbraw/zinc/49/59/41/419495941.db2.gz PSLPFEPDMZNVLL-PWSUYJOCSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccncc2s1 ZINC000658019963 419495949 /nfs/dbraw/zinc/49/59/49/419495949.db2.gz PSLPFEPDMZNVLL-PWSUYJOCSA-N 2 2 298.415 3.228 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000663508425 419641141 /nfs/dbraw/zinc/64/11/41/419641141.db2.gz QBMXKCZHXAXZCI-CYBMUJFWSA-N 2 2 274.433 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095618 419571569 /nfs/dbraw/zinc/57/15/69/419571569.db2.gz JSOZFNHPEQVUJA-WDEREUQCSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095618 419571578 /nfs/dbraw/zinc/57/15/78/419571578.db2.gz JSOZFNHPEQVUJA-WDEREUQCSA-N 2 2 262.388 3.129 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000658096490 419572904 /nfs/dbraw/zinc/57/29/04/419572904.db2.gz QJWQMPROVBBIMN-SJORKVTESA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000658096490 419572909 /nfs/dbraw/zinc/57/29/09/419572909.db2.gz QJWQMPROVBBIMN-SJORKVTESA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658095376 419575477 /nfs/dbraw/zinc/57/54/77/419575477.db2.gz GTWSVNZZPVWPRA-WMLDXEAASA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658095376 419575485 /nfs/dbraw/zinc/57/54/85/419575485.db2.gz GTWSVNZZPVWPRA-WMLDXEAASA-N 2 2 288.435 3.232 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000663371500 419578358 /nfs/dbraw/zinc/57/83/58/419578358.db2.gz TZYOQJGNUZENTM-UHFFFAOYSA-N 2 2 299.340 3.448 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)n1C ZINC000663366459 419580526 /nfs/dbraw/zinc/58/05/26/419580526.db2.gz GRRVYZYGMRGTKW-GOSISDBHSA-N 2 2 283.419 3.186 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000658283121 419727970 /nfs/dbraw/zinc/72/79/70/419727970.db2.gz ALZVKOSMUNWYJT-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000658283121 419727977 /nfs/dbraw/zinc/72/79/77/419727977.db2.gz ALZVKOSMUNWYJT-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283943 419730169 /nfs/dbraw/zinc/73/01/69/419730169.db2.gz FBHIRKTYTIZSGR-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283943 419730176 /nfs/dbraw/zinc/73/01/76/419730176.db2.gz FBHIRKTYTIZSGR-WBVHZDCISA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286492 419733016 /nfs/dbraw/zinc/73/30/16/419733016.db2.gz TWWDSEVGTJAMFR-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286492 419733025 /nfs/dbraw/zinc/73/30/25/419733025.db2.gz TWWDSEVGTJAMFR-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000658288377 419738879 /nfs/dbraw/zinc/73/88/79/419738879.db2.gz VCMUUQFHZMIFJI-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000658288377 419738885 /nfs/dbraw/zinc/73/88/85/419738885.db2.gz VCMUUQFHZMIFJI-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287265 419739732 /nfs/dbraw/zinc/73/97/32/419739732.db2.gz XZZJNXLORFADFW-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287265 419739739 /nfs/dbraw/zinc/73/97/39/419739739.db2.gz XZZJNXLORFADFW-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293269 419741111 /nfs/dbraw/zinc/74/11/11/419741111.db2.gz LDJIFEBPUDAULP-FOZYDTHFSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293269 419741114 /nfs/dbraw/zinc/74/11/14/419741114.db2.gz LDJIFEBPUDAULP-FOZYDTHFSA-N 2 2 268.420 3.118 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccsc1 ZINC000658295924 419743674 /nfs/dbraw/zinc/74/36/74/419743674.db2.gz PSIALMOSPNDKCM-CVEARBPZSA-N 2 2 294.464 3.042 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295789 419745537 /nfs/dbraw/zinc/74/55/37/419745537.db2.gz ONLRPRZNPDSMHJ-BURFUSLBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000212737398 287627351 /nfs/dbraw/zinc/62/73/51/287627351.db2.gz CUMKYRAWXCDTTO-GHMZBOCLSA-N 2 2 281.762 3.415 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000037786240 260118222 /nfs/dbraw/zinc/11/82/22/260118222.db2.gz DIQMTPNDJMXYQD-UHFFFAOYSA-N 2 2 264.388 3.178 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000221972610 261352022 /nfs/dbraw/zinc/35/20/22/261352022.db2.gz CMCLYPUTZSVUIZ-PBHICJAKSA-N 2 2 280.431 3.323 20 0 CGADLP COc1c(C)c[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c1C ZINC000319801158 262367542 /nfs/dbraw/zinc/36/75/42/262367542.db2.gz QUCDBFUBMONECI-NWDGAFQWSA-N 2 2 299.418 3.323 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1[NH3+] ZINC000519155807 265334410 /nfs/dbraw/zinc/33/44/10/265334410.db2.gz RPANJKQBCKEDRT-ABAIWWIYSA-N 2 2 290.794 3.379 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1[NH3+] ZINC000519155807 265334413 /nfs/dbraw/zinc/33/44/13/265334413.db2.gz RPANJKQBCKEDRT-ABAIWWIYSA-N 2 2 290.794 3.379 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000188451575 270069540 /nfs/dbraw/zinc/06/95/40/270069540.db2.gz AJZBKXJEDDTTGS-WBVHZDCISA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000188451575 270069541 /nfs/dbraw/zinc/06/95/41/270069541.db2.gz AJZBKXJEDDTTGS-WBVHZDCISA-N 2 2 258.409 3.378 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000300417438 270091788 /nfs/dbraw/zinc/09/17/88/270091788.db2.gz UIZTWCIJBTVKBS-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000300417438 270091789 /nfs/dbraw/zinc/09/17/89/270091789.db2.gz UIZTWCIJBTVKBS-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1C ZINC000520253985 270098793 /nfs/dbraw/zinc/09/87/93/270098793.db2.gz GZJUUFSALVEWAY-GJZGRUSLSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000525874711 270120436 /nfs/dbraw/zinc/12/04/36/270120436.db2.gz YZVZOPVIBYIILC-CQSZACIVSA-N 2 2 275.371 3.196 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccncc1Cl)[NH+]1CCCCC1 ZINC000527693185 270132063 /nfs/dbraw/zinc/13/20/63/270132063.db2.gz WCIKXJNWKAFREC-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP c1[nH]nc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc12 ZINC000527751609 270134372 /nfs/dbraw/zinc/13/43/72/270134372.db2.gz JZMUTAQUHCCJHL-QGZVFWFLSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc12 ZINC000527751609 270134373 /nfs/dbraw/zinc/13/43/73/270134373.db2.gz JZMUTAQUHCCJHL-QGZVFWFLSA-N 2 2 298.434 3.060 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527750567 270134410 /nfs/dbraw/zinc/13/44/10/270134410.db2.gz ACTOIZOIVHAFBY-SZMVWBNQSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527750567 270134411 /nfs/dbraw/zinc/13/44/11/270134411.db2.gz ACTOIZOIVHAFBY-SZMVWBNQSA-N 2 2 294.483 3.187 20 0 CGADLP c1nc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2[nH]1 ZINC000527754366 270134441 /nfs/dbraw/zinc/13/44/41/270134441.db2.gz YYAGBXVBSWIBDG-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2[nH]1 ZINC000527754366 270134442 /nfs/dbraw/zinc/13/44/42/270134442.db2.gz YYAGBXVBSWIBDG-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)cc2[nH]1 ZINC000527754366 270134443 /nfs/dbraw/zinc/13/44/43/270134443.db2.gz YYAGBXVBSWIBDG-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)cc2[nH]1 ZINC000527754366 270134444 /nfs/dbraw/zinc/13/44/44/270134444.db2.gz YYAGBXVBSWIBDG-MRXNPFEDSA-N 2 2 298.434 3.060 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527752782 270134604 /nfs/dbraw/zinc/13/46/04/270134604.db2.gz PLJPGNOFZFMCID-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527752782 270134605 /nfs/dbraw/zinc/13/46/05/270134605.db2.gz PLJPGNOFZFMCID-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805283 270137357 /nfs/dbraw/zinc/13/73/57/270137357.db2.gz GHYBVCFPMGXXEC-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805283 270137358 /nfs/dbraw/zinc/13/73/58/270137358.db2.gz GHYBVCFPMGXXEC-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC12CC2 ZINC000527846598 270139493 /nfs/dbraw/zinc/13/94/93/270139493.db2.gz GZOFEIDFDBXWQI-WMLDXEAASA-N 2 2 281.403 3.210 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000361136106 266790469 /nfs/dbraw/zinc/79/04/69/266790469.db2.gz LOTHUKBBCKTZTD-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952680 270146393 /nfs/dbraw/zinc/14/63/93/270146393.db2.gz VCFOVQNXALIBBU-LLLHUVSDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952680 270146394 /nfs/dbraw/zinc/14/63/94/270146394.db2.gz VCFOVQNXALIBBU-LLLHUVSDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527997745 270149544 /nfs/dbraw/zinc/14/95/44/270149544.db2.gz ASVNWWDVVGSGNB-SJORKVTESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527997745 270149545 /nfs/dbraw/zinc/14/95/45/270149545.db2.gz ASVNWWDVVGSGNB-SJORKVTESA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528120165 270154775 /nfs/dbraw/zinc/15/47/75/270154775.db2.gz ZNOAQAKINKHYPA-HNNXBMFYSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528120165 270154776 /nfs/dbraw/zinc/15/47/76/270154776.db2.gz ZNOAQAKINKHYPA-HNNXBMFYSA-N 2 2 259.397 3.209 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(F)c1Cl ZINC000529566733 270185022 /nfs/dbraw/zinc/18/50/22/270185022.db2.gz GBQXJNHVYDSTTO-UHFFFAOYSA-N 2 2 299.752 3.337 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(F)c1Cl ZINC000529566733 270185023 /nfs/dbraw/zinc/18/50/23/270185023.db2.gz GBQXJNHVYDSTTO-UHFFFAOYSA-N 2 2 299.752 3.337 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000529671022 270187740 /nfs/dbraw/zinc/18/77/40/270187740.db2.gz XBVXBVUGXRJSOZ-QRQLOZEOSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000529671022 270187741 /nfs/dbraw/zinc/18/77/41/270187741.db2.gz XBVXBVUGXRJSOZ-QRQLOZEOSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1F ZINC000530216601 270195628 /nfs/dbraw/zinc/19/56/28/270195628.db2.gz BXJAWRAPRCWQGP-HUUCEWRRSA-N 2 2 280.362 3.290 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C)c1 ZINC000530215959 270195657 /nfs/dbraw/zinc/19/56/57/270195657.db2.gz LAGSKSICHLYYCK-HOTGVXAUSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1nccc2ccccc21 ZINC000530215494 270195916 /nfs/dbraw/zinc/19/59/16/270195916.db2.gz GQSPFIKBAUHXSO-BBRMVZONSA-N 2 2 281.403 3.170 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530220547 270196743 /nfs/dbraw/zinc/19/67/43/270196743.db2.gz OOUNEBGRQYKBGL-SJORKVTESA-N 2 2 288.435 3.411 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000530240994 270197061 /nfs/dbraw/zinc/19/70/61/270197061.db2.gz ANHRIIRAPVFPOT-HNNXBMFYSA-N 2 2 294.414 3.042 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000531937020 270210918 /nfs/dbraw/zinc/21/09/18/270210918.db2.gz KACVSNGAVINUJE-DZKIICNBSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000531937020 270210919 /nfs/dbraw/zinc/21/09/19/270210919.db2.gz KACVSNGAVINUJE-DZKIICNBSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531948118 270211497 /nfs/dbraw/zinc/21/14/97/270211497.db2.gz BBAYLGVOWCAYMD-SJORKVTESA-N 2 2 282.472 3.068 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531948118 270211498 /nfs/dbraw/zinc/21/14/98/270211498.db2.gz BBAYLGVOWCAYMD-SJORKVTESA-N 2 2 282.472 3.068 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531984701 270212582 /nfs/dbraw/zinc/21/25/82/270212582.db2.gz RERUBFLLNFRDGJ-KGLIPLIRSA-N 2 2 278.465 3.401 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531984701 270212583 /nfs/dbraw/zinc/21/25/83/270212583.db2.gz RERUBFLLNFRDGJ-KGLIPLIRSA-N 2 2 278.465 3.401 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507291 270216442 /nfs/dbraw/zinc/21/64/42/270216442.db2.gz OGVORVVQAUNYMR-DOTOQJQBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507291 270216443 /nfs/dbraw/zinc/21/64/43/270216443.db2.gz OGVORVVQAUNYMR-DOTOQJQBSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000532530247 270216910 /nfs/dbraw/zinc/21/69/10/270216910.db2.gz LXVFYIDJFGFZKJ-RHSMWYFYSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000532530247 270216911 /nfs/dbraw/zinc/21/69/11/270216911.db2.gz LXVFYIDJFGFZKJ-RHSMWYFYSA-N 2 2 276.424 3.078 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000532532367 270217080 /nfs/dbraw/zinc/21/70/80/270217080.db2.gz AZPWXQZMWIQAIS-DOTOQJQBSA-N 2 2 260.425 3.459 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000532532367 270217081 /nfs/dbraw/zinc/21/70/81/270217081.db2.gz AZPWXQZMWIQAIS-DOTOQJQBSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531595 270217252 /nfs/dbraw/zinc/21/72/52/270217252.db2.gz RWSPNOLRWZTONM-CABCVRRESA-N 2 2 272.436 3.168 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531595 270217253 /nfs/dbraw/zinc/21/72/53/270217253.db2.gz RWSPNOLRWZTONM-CABCVRRESA-N 2 2 272.436 3.168 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1cccc(Cl)c1Cl)C1CC1 ZINC000420286955 279148735 /nfs/dbraw/zinc/14/87/35/279148735.db2.gz HFIHIAZNLDWXHM-ZDUSSCGKSA-N 2 2 273.207 3.210 20 0 CGADLP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110250118 273498537 /nfs/dbraw/zinc/49/85/37/273498537.db2.gz BREPPGACNKYGQN-UHFFFAOYSA-N 2 2 274.412 3.029 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335015653 274237152 /nfs/dbraw/zinc/23/71/52/274237152.db2.gz PFIRSLYBSIQVDB-VXGBXAGGSA-N 2 2 252.361 3.082 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)[NH+](C)C ZINC000038087908 274491164 /nfs/dbraw/zinc/49/11/64/274491164.db2.gz LZMNIDFVNMLMQM-CZUORRHYSA-N 2 2 260.425 3.339 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000400416060 274518017 /nfs/dbraw/zinc/51/80/17/274518017.db2.gz VJASZXOJADVIEQ-MJVIPROJSA-N 2 2 297.240 3.240 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565819 275069105 /nfs/dbraw/zinc/06/91/05/275069105.db2.gz LOVFVGHYQOITCW-SUMWQHHRSA-N 2 2 296.418 3.016 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565819 275069107 /nfs/dbraw/zinc/06/91/07/275069107.db2.gz LOVFVGHYQOITCW-SUMWQHHRSA-N 2 2 296.418 3.016 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446975863 275069781 /nfs/dbraw/zinc/06/97/81/275069781.db2.gz DMXGBZLSRJFRGZ-IEBWSBKVSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446975863 275069783 /nfs/dbraw/zinc/06/97/83/275069783.db2.gz DMXGBZLSRJFRGZ-IEBWSBKVSA-N 2 2 284.447 3.150 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+](C)C ZINC000020201552 275901905 /nfs/dbraw/zinc/90/19/05/275901905.db2.gz RJVOURKBVUSIOE-RDJZCZTQSA-N 2 2 292.467 3.279 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471600714 275985442 /nfs/dbraw/zinc/98/54/42/275985442.db2.gz DLHQCXDGCYSBJN-CGTJXYLNSA-N 2 2 292.467 3.473 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCCC12CCC2)[NH+]1CCCC1 ZINC000449076342 287866139 /nfs/dbraw/zinc/86/61/39/287866139.db2.gz OXLDWVXEUIREAJ-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000159284629 276151354 /nfs/dbraw/zinc/15/13/54/276151354.db2.gz QCKWAVGEHJCKAK-OAHLLOKOSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353291710 276174472 /nfs/dbraw/zinc/17/44/72/276174472.db2.gz ODAKXBMVUWQIHV-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353291710 276174473 /nfs/dbraw/zinc/17/44/73/276174473.db2.gz ODAKXBMVUWQIHV-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[NH+]1CCCCC1 ZINC000479537748 276180401 /nfs/dbraw/zinc/18/04/01/276180401.db2.gz OLBTWNHXNAZVHA-JKSUJKDBSA-N 2 2 250.430 3.054 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352324 276230444 /nfs/dbraw/zinc/23/04/44/276230444.db2.gz WXLMVPUVBMOJFS-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352324 276230446 /nfs/dbraw/zinc/23/04/46/276230446.db2.gz WXLMVPUVBMOJFS-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425365930 276234581 /nfs/dbraw/zinc/23/45/81/276234581.db2.gz ZAEFBYZJLWFYBD-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425365930 276234583 /nfs/dbraw/zinc/23/45/83/276234583.db2.gz ZAEFBYZJLWFYBD-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181983964 276369490 /nfs/dbraw/zinc/36/94/90/276369490.db2.gz QFUJTHWGPFTZBL-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181983964 276369491 /nfs/dbraw/zinc/36/94/91/276369491.db2.gz QFUJTHWGPFTZBL-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359597513 276379434 /nfs/dbraw/zinc/37/94/34/276379434.db2.gz ZGPLUQOGPHJNLZ-ZFWWWQNUSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359597513 276379435 /nfs/dbraw/zinc/37/94/35/276379435.db2.gz ZGPLUQOGPHJNLZ-ZFWWWQNUSA-N 2 2 276.424 3.367 20 0 CGADLP CCSCC[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000355755229 276395162 /nfs/dbraw/zinc/39/51/62/276395162.db2.gz OBQPIJWCBVLGRA-AWEZNQCLSA-N 2 2 280.481 3.459 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cc(Cl)ccc2C1 ZINC000192242504 277079144 /nfs/dbraw/zinc/07/91/44/277079144.db2.gz XSGLPBGAEOQDLQ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cc(Cl)ccc2C1 ZINC000192242504 277079145 /nfs/dbraw/zinc/07/91/45/277079145.db2.gz XSGLPBGAEOQDLQ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242504 277079146 /nfs/dbraw/zinc/07/91/46/277079146.db2.gz XSGLPBGAEOQDLQ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192242504 277079148 /nfs/dbraw/zinc/07/91/48/277079148.db2.gz XSGLPBGAEOQDLQ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C[N@@H+]1C1CC1 ZINC000280855303 278027643 /nfs/dbraw/zinc/02/76/43/278027643.db2.gz MXVZJJXYCYMEBT-RPVQJOFSSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C[N@H+]1C1CC1 ZINC000280855303 278027644 /nfs/dbraw/zinc/02/76/44/278027644.db2.gz MXVZJJXYCYMEBT-RPVQJOFSSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000346477503 278209356 /nfs/dbraw/zinc/20/93/56/278209356.db2.gz HUOFIFJOJNMSBF-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000449556687 278283242 /nfs/dbraw/zinc/28/32/42/278283242.db2.gz NLGUZESJQPGUKP-RYUDHWBXSA-N 2 2 288.357 3.349 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1CC1(C)C ZINC000397818197 288031718 /nfs/dbraw/zinc/03/17/18/288031718.db2.gz UUJQGPJNMXQGBU-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC1(C)C ZINC000397818197 288031722 /nfs/dbraw/zinc/03/17/22/288031722.db2.gz UUJQGPJNMXQGBU-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866019 288033130 /nfs/dbraw/zinc/03/31/30/288033130.db2.gz GKQZEADTAHZMRD-CRAIPNDOSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866019 288033131 /nfs/dbraw/zinc/03/31/31/288033131.db2.gz GKQZEADTAHZMRD-CRAIPNDOSA-N 2 2 298.434 3.115 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397893617 288034395 /nfs/dbraw/zinc/03/43/95/288034395.db2.gz PXNODWSMANGFOQ-CQSZACIVSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152792258 278350732 /nfs/dbraw/zinc/35/07/32/278350732.db2.gz PXFJAOVALXFARV-KBPBESRZSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000397950697 288036193 /nfs/dbraw/zinc/03/61/93/288036193.db2.gz WSLFLFANXLAMCS-NSHDSACASA-N 2 2 297.240 3.194 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000261578404 278369768 /nfs/dbraw/zinc/36/97/68/278369768.db2.gz OXGVDRATGHRTAQ-JTQLQIEISA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000261578404 278369769 /nfs/dbraw/zinc/36/97/69/278369769.db2.gz OXGVDRATGHRTAQ-JTQLQIEISA-N 2 2 266.351 3.037 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCCC1 ZINC000334398163 278388074 /nfs/dbraw/zinc/38/80/74/278388074.db2.gz XCDROYNDEJIPAS-OCCSQVGLSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCCC1 ZINC000334398163 278388077 /nfs/dbraw/zinc/38/80/77/278388077.db2.gz XCDROYNDEJIPAS-OCCSQVGLSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000449288593 288045113 /nfs/dbraw/zinc/04/51/13/288045113.db2.gz ZMEQTWMQPJFRDH-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000449288593 288045115 /nfs/dbraw/zinc/04/51/15/288045115.db2.gz ZMEQTWMQPJFRDH-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423054332 288063075 /nfs/dbraw/zinc/06/30/75/288063075.db2.gz UKVXBLFUSXXKOL-WBMJQRKESA-N 2 2 272.392 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccc1Br ZINC000423439225 288078804 /nfs/dbraw/zinc/07/88/04/288078804.db2.gz HTBRODPPUXFAGX-BREBYQMCSA-N 2 2 285.229 3.226 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@@H+]1C ZINC000453193934 279125519 /nfs/dbraw/zinc/12/55/19/279125519.db2.gz NKRBDOPMOLERNQ-RDTXWAMCSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@H+]1C ZINC000453193934 279125520 /nfs/dbraw/zinc/12/55/20/279125520.db2.gz NKRBDOPMOLERNQ-RDTXWAMCSA-N 2 2 272.436 3.006 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311828370 279315133 /nfs/dbraw/zinc/31/51/33/279315133.db2.gz DTNLCBOPRPWLOR-JJRVBVJISA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000311828370 279315134 /nfs/dbraw/zinc/31/51/34/279315134.db2.gz DTNLCBOPRPWLOR-JJRVBVJISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000336100927 279522872 /nfs/dbraw/zinc/52/28/72/279522872.db2.gz NAGIADOLQRDUPP-NWDGAFQWSA-N 2 2 275.783 3.202 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC1(F)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000527223233 288157411 /nfs/dbraw/zinc/15/74/11/288157411.db2.gz YDKCNQRWMBTVGD-QGZVFWFLSA-N 2 2 290.426 3.161 20 0 CGADLP Cc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000527223181 288157454 /nfs/dbraw/zinc/15/74/54/288157454.db2.gz OCXTWABGUCSDQZ-UHFFFAOYSA-N 2 2 258.365 3.056 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484481195 279953843 /nfs/dbraw/zinc/95/38/43/279953843.db2.gz DERQYTSUISAVJO-JYJNAYRXSA-N 2 2 284.513 3.228 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000482248260 280190282 /nfs/dbraw/zinc/19/02/82/280190282.db2.gz WRKFVOMWDLMOFX-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C1CCCCC1 ZINC000482248260 280190285 /nfs/dbraw/zinc/19/02/85/280190285.db2.gz WRKFVOMWDLMOFX-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423278589 280286859 /nfs/dbraw/zinc/28/68/59/280286859.db2.gz QXZDWGZXFDLMHZ-KGLIPLIRSA-N 2 2 282.815 3.127 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423267750 280286939 /nfs/dbraw/zinc/28/69/39/280286939.db2.gz FUENEAGFBULFRY-KGLIPLIRSA-N 2 2 282.815 3.127 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423400216 280327421 /nfs/dbraw/zinc/32/74/21/280327421.db2.gz WVTRWHMLOGQRAF-CVEARBPZSA-N 2 2 275.440 3.147 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000423185439 280679243 /nfs/dbraw/zinc/67/92/43/280679243.db2.gz JKWAQGPQUCCQGS-DZGCQCFKSA-N 2 2 276.449 3.182 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423163192 280962918 /nfs/dbraw/zinc/96/29/18/280962918.db2.gz VESJCFPPDSNXQF-BSWAZPDLSA-N 2 2 288.435 3.409 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)C2 ZINC000491365604 281116776 /nfs/dbraw/zinc/11/67/76/281116776.db2.gz DXMNHZHVUPEFCO-CZUORRHYSA-N 2 2 260.425 3.158 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000358087922 281126308 /nfs/dbraw/zinc/12/63/08/281126308.db2.gz QNPJFUGXQLMUOA-VHSSKADRSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000358087922 281126310 /nfs/dbraw/zinc/12/63/10/281126310.db2.gz QNPJFUGXQLMUOA-VHSSKADRSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@H+](CCn1cc[nH+]c1)C2 ZINC000295182653 281268660 /nfs/dbraw/zinc/26/86/60/281268660.db2.gz IITDQVYLWKEIIH-UHFFFAOYSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@@H+](CCn1cc[nH+]c1)C2 ZINC000295182653 281268664 /nfs/dbraw/zinc/26/86/64/281268664.db2.gz IITDQVYLWKEIIH-UHFFFAOYSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1ccccc1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000179460281 281339283 /nfs/dbraw/zinc/33/92/83/281339283.db2.gz PYZHLOVTFWSQIF-UHFFFAOYSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)CCC2 ZINC000334831107 281549543 /nfs/dbraw/zinc/54/95/43/281549543.db2.gz LXFFZHSODINTMJ-KGLIPLIRSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3occc31)CCC2 ZINC000365735610 281552130 /nfs/dbraw/zinc/55/21/30/281552130.db2.gz LQSDDMWNOOVPKN-DZGCQCFKSA-N 2 2 285.391 3.329 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000531725615 288343525 /nfs/dbraw/zinc/34/35/25/288343525.db2.gz CVQSYFLVTNSFFH-CGTJXYLNSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000531725615 288343526 /nfs/dbraw/zinc/34/35/26/288343526.db2.gz CVQSYFLVTNSFFH-CGTJXYLNSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000532195400 288354912 /nfs/dbraw/zinc/35/49/12/288354912.db2.gz QFJDELWKQQBLKQ-CRAIPNDOSA-N 2 2 298.430 3.383 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000532195400 288354914 /nfs/dbraw/zinc/35/49/14/288354914.db2.gz QFJDELWKQQBLKQ-CRAIPNDOSA-N 2 2 298.430 3.383 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000532222906 288356166 /nfs/dbraw/zinc/35/61/66/288356166.db2.gz RBNOALHMFBJOTR-KRWDZBQOSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000532239079 288357305 /nfs/dbraw/zinc/35/73/05/288357305.db2.gz LTQYHTHYMAVRPE-YOEHRIQHSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000532239079 288357307 /nfs/dbraw/zinc/35/73/07/288357307.db2.gz LTQYHTHYMAVRPE-YOEHRIQHSA-N 2 2 276.424 3.078 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000532246194 288358516 /nfs/dbraw/zinc/35/85/16/288358516.db2.gz RTYQUKOOLCURIA-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)c1 ZINC000532246194 288358518 /nfs/dbraw/zinc/35/85/18/288358518.db2.gz RTYQUKOOLCURIA-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000532476187 288364028 /nfs/dbraw/zinc/36/40/28/288364028.db2.gz KDOWSZFJUFSOAE-OAHLLOKOSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000532476187 288364029 /nfs/dbraw/zinc/36/40/29/288364029.db2.gz KDOWSZFJUFSOAE-OAHLLOKOSA-N 2 2 274.452 3.457 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125024275 292672983 /nfs/dbraw/zinc/67/29/83/292672983.db2.gz IZXDNHCPDMDREG-WMZOPIPTSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000546878962 288942216 /nfs/dbraw/zinc/94/22/16/288942216.db2.gz GVMHHDGENTZSQG-NSHDSACASA-N 2 2 285.313 3.463 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548623068 289013669 /nfs/dbraw/zinc/01/36/69/289013669.db2.gz GQVWMRXFFYQPTA-ZIAGYGMSSA-N 2 2 261.413 3.004 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209414 289101888 /nfs/dbraw/zinc/10/18/88/289101888.db2.gz BLQLWOXCBPKQAS-YIBWGGGYSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209414 289101890 /nfs/dbraw/zinc/10/18/90/289101890.db2.gz BLQLWOXCBPKQAS-YIBWGGGYSA-N 2 2 288.410 3.144 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000552045993 289154561 /nfs/dbraw/zinc/15/45/61/289154561.db2.gz VDXBUGDIRQCXDS-BPUTZDHNSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000552045993 289154563 /nfs/dbraw/zinc/15/45/63/289154563.db2.gz VDXBUGDIRQCXDS-BPUTZDHNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000552956527 289203648 /nfs/dbraw/zinc/20/36/48/289203648.db2.gz CQXSIODNXFWOFZ-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000552956527 289203649 /nfs/dbraw/zinc/20/36/49/289203649.db2.gz CQXSIODNXFWOFZ-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000554362463 289275307 /nfs/dbraw/zinc/27/53/07/289275307.db2.gz UKFGBWZGGZATNP-KURKYZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000554362463 289275310 /nfs/dbraw/zinc/27/53/10/289275310.db2.gz UKFGBWZGGZATNP-KURKYZTESA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000560518600 289599712 /nfs/dbraw/zinc/59/97/12/289599712.db2.gz GXAOAYDFHSWRDT-SJKOYZFVSA-N 2 2 296.405 3.216 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000562330972 289692695 /nfs/dbraw/zinc/69/26/95/289692695.db2.gz FSXMOFQHFJAZLP-UONOGXRCSA-N 2 2 281.469 3.173 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C[N@@H+]1C1CC1 ZINC000453124827 297285617 /nfs/dbraw/zinc/28/56/17/297285617.db2.gz INHCYXNHRHVWKD-SRCQZFHVSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C[N@H+]1C1CC1 ZINC000453124827 297285619 /nfs/dbraw/zinc/28/56/19/297285619.db2.gz INHCYXNHRHVWKD-SRCQZFHVSA-N 2 2 262.441 3.170 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C1CC1)[NH+](C)C ZINC000483331181 302208486 /nfs/dbraw/zinc/20/84/86/302208486.db2.gz PHQYNZMHMORLRB-ZQIUZPCESA-N 2 2 260.425 3.374 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000443214211 302208496 /nfs/dbraw/zinc/20/84/96/302208496.db2.gz KJJKONVIMWYNLU-ONIAQPFYSA-N 2 2 290.451 3.143 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCCC2 ZINC000423204197 302887220 /nfs/dbraw/zinc/88/72/20/302887220.db2.gz NYMWLRBITPHLJK-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423422301 303127961 /nfs/dbraw/zinc/12/79/61/303127961.db2.gz KJINZRNIWVLPCI-RYQLBKOJSA-N 2 2 290.426 3.381 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000422870198 303134753 /nfs/dbraw/zinc/13/47/53/303134753.db2.gz BLQLGESZZWNQQQ-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000230000610 303378233 /nfs/dbraw/zinc/37/82/33/303378233.db2.gz NBACPFIAESQIDZ-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000230000610 303378234 /nfs/dbraw/zinc/37/82/34/303378234.db2.gz NBACPFIAESQIDZ-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000422943158 304856037 /nfs/dbraw/zinc/85/60/37/304856037.db2.gz QJEXJEAITPZVFF-SJORKVTESA-N 2 2 258.409 3.260 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000564317884 322026800 /nfs/dbraw/zinc/02/68/00/322026800.db2.gz LJMXLNOKDPEBNA-HUUCEWRRSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000564317884 322026801 /nfs/dbraw/zinc/02/68/01/322026801.db2.gz LJMXLNOKDPEBNA-HUUCEWRRSA-N 2 2 275.440 3.426 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C2CCC1CC2 ZINC000564826025 322045494 /nfs/dbraw/zinc/04/54/94/322045494.db2.gz QTEZOSPRGOCISF-UHFFFAOYSA-N 2 2 267.376 3.308 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000565153373 322062899 /nfs/dbraw/zinc/06/28/99/322062899.db2.gz QDQPJLAATSVWQF-RHSMWYFYSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000565153373 322062901 /nfs/dbraw/zinc/06/29/01/322062901.db2.gz QDQPJLAATSVWQF-RHSMWYFYSA-N 2 2 290.426 3.363 20 0 CGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565159317 322063580 /nfs/dbraw/zinc/06/35/80/322063580.db2.gz YMRAYKVKCAGCKZ-GXFFZTMASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565159317 322063582 /nfs/dbraw/zinc/06/35/82/322063582.db2.gz YMRAYKVKCAGCKZ-GXFFZTMASA-N 2 2 297.240 3.069 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480602 322125753 /nfs/dbraw/zinc/12/57/53/322125753.db2.gz XWLWZXIUIGGXJR-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480602 322125756 /nfs/dbraw/zinc/12/57/56/322125756.db2.gz XWLWZXIUIGGXJR-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000566862965 322141125 /nfs/dbraw/zinc/14/11/25/322141125.db2.gz ATTWEDQCEWYMQQ-GJZGRUSLSA-N 2 2 259.397 3.098 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000566862965 322141127 /nfs/dbraw/zinc/14/11/27/322141127.db2.gz ATTWEDQCEWYMQQ-GJZGRUSLSA-N 2 2 259.397 3.098 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCCC12CC2)[NH+]1CCCCC1 ZINC000568770176 322222181 /nfs/dbraw/zinc/22/21/81/322222181.db2.gz PZEJALSDKMAEOC-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000569351420 322244425 /nfs/dbraw/zinc/24/44/25/322244425.db2.gz COGNHBQZULGGTC-UHFFFAOYSA-N 2 2 293.361 3.120 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC(F)F ZINC000569351420 322244426 /nfs/dbraw/zinc/24/44/26/322244426.db2.gz COGNHBQZULGGTC-UHFFFAOYSA-N 2 2 293.361 3.120 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)n1C ZINC000569941678 322261460 /nfs/dbraw/zinc/26/14/60/322261460.db2.gz NBCLDWXERZEWFW-KRWDZBQOSA-N 2 2 269.392 3.278 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000570090065 322264696 /nfs/dbraw/zinc/26/46/96/322264696.db2.gz NCBXBSDJYMENED-DZGCQCFKSA-N 2 2 269.392 3.050 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000570090065 322264698 /nfs/dbraw/zinc/26/46/98/322264698.db2.gz NCBXBSDJYMENED-DZGCQCFKSA-N 2 2 269.392 3.050 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000571058432 322288828 /nfs/dbraw/zinc/28/88/28/322288828.db2.gz WAZBZLMTWTWVCD-IAQYHMDHSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000571058432 322288829 /nfs/dbraw/zinc/28/88/29/322288829.db2.gz WAZBZLMTWTWVCD-IAQYHMDHSA-N 2 2 290.436 3.040 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000571403969 322297883 /nfs/dbraw/zinc/29/78/83/322297883.db2.gz QLEJRFJWCGAEAL-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000571403969 322297884 /nfs/dbraw/zinc/29/78/84/322297884.db2.gz QLEJRFJWCGAEAL-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CSC[C@H]1C[N@H+](C)CCO1 ZINC000572157281 322322249 /nfs/dbraw/zinc/32/22/49/322322249.db2.gz MHVJEEMWFOYGFH-OAHLLOKOSA-N 2 2 294.464 3.077 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000572157281 322322253 /nfs/dbraw/zinc/32/22/53/322322253.db2.gz MHVJEEMWFOYGFH-OAHLLOKOSA-N 2 2 294.464 3.077 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000573533095 322392990 /nfs/dbraw/zinc/39/29/90/322392990.db2.gz XKSPQGSSHSXGMG-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000573533095 322392994 /nfs/dbraw/zinc/39/29/94/322392994.db2.gz XKSPQGSSHSXGMG-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000576148748 335160741 /nfs/dbraw/zinc/16/07/41/335160741.db2.gz UEZSVTROYMDUMO-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000576148748 335160742 /nfs/dbraw/zinc/16/07/42/335160742.db2.gz UEZSVTROYMDUMO-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](CC(F)F)c2ccccc2)n1C ZINC000580572461 335286050 /nfs/dbraw/zinc/28/60/50/335286050.db2.gz XHPFNUCFXNTOMZ-AWEZNQCLSA-N 2 2 279.334 3.215 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000580618498 335303120 /nfs/dbraw/zinc/30/31/20/335303120.db2.gz XRDNGPVUXONVNU-BBZRVKOSSA-N 2 2 290.451 3.223 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)C[C@H]2c2ccccc2)n1C ZINC000577124550 335305036 /nfs/dbraw/zinc/30/50/36/335305036.db2.gz FBQLQRYOULUODV-IRXDYDNUSA-N 2 2 269.392 3.012 20 0 CGADLP CC1=C(C)C[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)CC1 ZINC000577515286 335363577 /nfs/dbraw/zinc/36/35/77/335363577.db2.gz RMLRWTMHULUBEO-AWEZNQCLSA-N 2 2 296.374 3.342 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)s1 ZINC000577542669 335366564 /nfs/dbraw/zinc/36/65/64/335366564.db2.gz CIJQFYVXLJLYMP-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)s1 ZINC000577542669 335366566 /nfs/dbraw/zinc/36/65/66/335366566.db2.gz CIJQFYVXLJLYMP-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1nccs1)[NH+]1CCCCC1 ZINC000184513565 335927756 /nfs/dbraw/zinc/92/77/56/335927756.db2.gz IDWDFDDANSUNCR-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1nc(C)cs1 ZINC000581248810 336031441 /nfs/dbraw/zinc/03/14/41/336031441.db2.gz PJZVEITXPKPBNY-AWEZNQCLSA-N 2 2 275.421 3.438 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000381762426 336072488 /nfs/dbraw/zinc/07/24/88/336072488.db2.gz LLTOIBPZBJXUBY-JCGIZDLHSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000381762426 336072490 /nfs/dbraw/zinc/07/24/90/336072490.db2.gz LLTOIBPZBJXUBY-JCGIZDLHSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000382814039 336097396 /nfs/dbraw/zinc/09/73/96/336097396.db2.gz VWMFSHGTVSWAGK-XPKDYRNWSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000382814039 336097397 /nfs/dbraw/zinc/09/73/97/336097397.db2.gz VWMFSHGTVSWAGK-XPKDYRNWSA-N 2 2 250.430 3.170 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000385441486 336146458 /nfs/dbraw/zinc/14/64/58/336146458.db2.gz TWSVEXVDSFNLBH-JKSUJKDBSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000385441486 336146459 /nfs/dbraw/zinc/14/64/59/336146459.db2.gz TWSVEXVDSFNLBH-JKSUJKDBSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000386086406 336166059 /nfs/dbraw/zinc/16/60/59/336166059.db2.gz HMXCUWASSYPCPG-XKQJLSEDSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@H]1C ZINC000414070934 533809013 /nfs/dbraw/zinc/80/90/13/533809013.db2.gz LMGNWKVZUPHKDP-GLJUWKHASA-N 2 2 290.426 3.424 20 0 CGADLP COc1cc(C[NH2+]CC[NH+]2CCCC2)cc2ccccc21 ZINC000449222891 533876177 /nfs/dbraw/zinc/87/61/77/533876177.db2.gz WTLKSPOWMMGUQI-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423235080 533896453 /nfs/dbraw/zinc/89/64/53/533896453.db2.gz GFISIVLUNTVLFB-UGSOOPFHSA-N 2 2 282.387 3.067 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423282528 533994371 /nfs/dbraw/zinc/99/43/71/533994371.db2.gz VITLYDCREXMASU-SWLSCSKDSA-N 2 2 270.376 3.335 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370131 534110810 /nfs/dbraw/zinc/11/08/10/534110810.db2.gz IQPCBCNVYDQFJU-OBTMHIKCSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370131 534110815 /nfs/dbraw/zinc/11/08/15/534110815.db2.gz IQPCBCNVYDQFJU-OBTMHIKCSA-N 2 2 276.399 3.302 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365636574 534158647 /nfs/dbraw/zinc/15/86/47/534158647.db2.gz JPAMWEIDMQZEEU-CQSZACIVSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365636574 534158652 /nfs/dbraw/zinc/15/86/52/534158652.db2.gz JPAMWEIDMQZEEU-CQSZACIVSA-N 2 2 287.382 3.247 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC000367854442 534240417 /nfs/dbraw/zinc/24/04/17/534240417.db2.gz AWNZTDBKIQBTJF-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC000367854442 534240420 /nfs/dbraw/zinc/24/04/20/534240420.db2.gz AWNZTDBKIQBTJF-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449071853 534267316 /nfs/dbraw/zinc/26/73/16/534267316.db2.gz CCYIGVJUBBLFSU-KBPBESRZSA-N 2 2 283.375 3.239 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+](C)[C@H]3C)ccc2n1 ZINC000437773362 534471084 /nfs/dbraw/zinc/47/10/84/534471084.db2.gz JGXVJZQEHSAXTO-WMLDXEAASA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@H]3C)ccc2n1 ZINC000437773362 534471089 /nfs/dbraw/zinc/47/10/89/534471089.db2.gz JGXVJZQEHSAXTO-WMLDXEAASA-N 2 2 283.419 3.116 20 0 CGADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000086116237 522845740 /nfs/dbraw/zinc/84/57/40/522845740.db2.gz MUQQVPIQCPBWLJ-CQSZACIVSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1cccc(CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449230425 534692084 /nfs/dbraw/zinc/69/20/84/534692084.db2.gz KTXBRHLSSMOYDK-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000449230425 534692090 /nfs/dbraw/zinc/69/20/90/534692090.db2.gz KTXBRHLSSMOYDK-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000049551906 524164848 /nfs/dbraw/zinc/16/48/48/524164848.db2.gz MNBFBCRFEUFAAO-SNVBAGLBSA-N 2 2 275.223 3.423 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262029389 524203884 /nfs/dbraw/zinc/20/38/84/524203884.db2.gz XADDDWLVKBXPRV-OAHLLOKOSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000262029389 524203891 /nfs/dbraw/zinc/20/38/91/524203891.db2.gz XADDDWLVKBXPRV-OAHLLOKOSA-N 2 2 298.352 3.340 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000049554079 524474969 /nfs/dbraw/zinc/47/49/69/524474969.db2.gz VRNQJVJBRRGPNL-JTQLQIEISA-N 2 2 292.395 3.165 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000155521904 524634696 /nfs/dbraw/zinc/63/46/96/524634696.db2.gz MQTAEDHYGYUYOI-RDJZCZTQSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000155521904 524634711 /nfs/dbraw/zinc/63/47/11/524634711.db2.gz MQTAEDHYGYUYOI-RDJZCZTQSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571518 525568745 /nfs/dbraw/zinc/56/87/45/525568745.db2.gz KTPALQQKZSVNMP-JRPNMDOOSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571518 525568755 /nfs/dbraw/zinc/56/87/55/525568755.db2.gz KTPALQQKZSVNMP-JRPNMDOOSA-N 2 2 268.351 3.098 20 0 CGADLP Cc1ccc([C@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1 ZINC000157270388 525960993 /nfs/dbraw/zinc/96/09/93/525960993.db2.gz FAIZDJQJWBVZLO-INIZCTEOSA-N 2 2 269.392 3.413 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813976 526030600 /nfs/dbraw/zinc/03/06/00/526030600.db2.gz YBUWGXQGHFMMOP-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813976 526030611 /nfs/dbraw/zinc/03/06/11/526030611.db2.gz YBUWGXQGHFMMOP-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1nccs1 ZINC000086508164 527168951 /nfs/dbraw/zinc/16/89/51/527168951.db2.gz BQXPVJHIXWNVBY-LLVKDONJSA-N 2 2 286.404 3.152 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164205903 527191783 /nfs/dbraw/zinc/19/17/83/527191783.db2.gz FCSFYHBIIAEIHJ-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164205903 527191786 /nfs/dbraw/zinc/19/17/86/527191786.db2.gz FCSFYHBIIAEIHJ-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccccc1 ZINC000177339931 527899304 /nfs/dbraw/zinc/89/93/04/527899304.db2.gz GSJRCJXYUCCHEN-SJORKVTESA-N 2 2 288.435 3.014 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1ccccc1 ZINC000177339931 527899308 /nfs/dbraw/zinc/89/93/08/527899308.db2.gz GSJRCJXYUCCHEN-SJORKVTESA-N 2 2 288.435 3.014 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccccc1 ZINC000177339931 527899310 /nfs/dbraw/zinc/89/93/10/527899310.db2.gz GSJRCJXYUCCHEN-SJORKVTESA-N 2 2 288.435 3.014 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1 ZINC000177339931 527899312 /nfs/dbraw/zinc/89/93/12/527899312.db2.gz GSJRCJXYUCCHEN-SJORKVTESA-N 2 2 288.435 3.014 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000414143857 528103324 /nfs/dbraw/zinc/10/33/24/528103324.db2.gz LXVAJJXDIHGIRC-UNEWFSDZSA-N 2 2 285.391 3.090 20 0 CGADLP CC[NH+](CC)CCSCc1cn2c(cccc2C)[nH+]1 ZINC000176944086 528163700 /nfs/dbraw/zinc/16/37/00/528163700.db2.gz VDNVWHVUALSSMH-UHFFFAOYSA-N 2 2 277.437 3.218 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000449176531 528181896 /nfs/dbraw/zinc/18/18/96/528181896.db2.gz NBDQSCNOMKDWSZ-HUUCEWRRSA-N 2 2 295.496 3.442 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cs1 ZINC000425934935 528313424 /nfs/dbraw/zinc/31/34/24/528313424.db2.gz BEGZQDGCEBWXKG-NEPJUHHUSA-N 2 2 269.458 3.115 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000423242169 528334681 /nfs/dbraw/zinc/33/46/81/528334681.db2.gz IREXIQNOMOWHPA-CYBMUJFWSA-N 2 2 272.392 3.109 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423372382 528422824 /nfs/dbraw/zinc/42/28/24/528422824.db2.gz GDTDAROVUZTYFQ-RKDXNWHRSA-N 2 2 291.258 3.159 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423374085 528423309 /nfs/dbraw/zinc/42/33/09/528423309.db2.gz HQLBCABPXGJTSG-GHMZBOCLSA-N 2 2 290.329 3.234 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423313465 528513216 /nfs/dbraw/zinc/51/32/16/528513216.db2.gz UHWIIJFDTIPHAY-LBPRGKRZSA-N 2 2 276.380 3.092 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423267377 528533604 /nfs/dbraw/zinc/53/36/04/528533604.db2.gz FLUAISBEVHPJLN-ROUUACIJSA-N 2 2 286.394 3.488 20 0 CGADLP CCCc1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000426397970 528660670 /nfs/dbraw/zinc/66/06/70/528660670.db2.gz WFOUTMWNQDGGOC-UHFFFAOYSA-N 2 2 290.436 3.129 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423230199 528688895 /nfs/dbraw/zinc/68/88/95/528688895.db2.gz CWURGIXEGLURHF-GDBMZVCRSA-N 2 2 276.424 3.268 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1OC ZINC000423296339 528956008 /nfs/dbraw/zinc/95/60/08/528956008.db2.gz GRHQAVHYAKVTFK-HIFRSBDPSA-N 2 2 264.413 3.253 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424249164 528988534 /nfs/dbraw/zinc/98/85/34/528988534.db2.gz AIFDTLGEHWGZJC-GFCCVEGCSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423375037 529011768 /nfs/dbraw/zinc/01/17/68/529011768.db2.gz CRPMBCXCNDXJJO-CVEARBPZSA-N 2 2 275.440 3.291 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccn1 ZINC000367435787 529015251 /nfs/dbraw/zinc/01/52/51/529015251.db2.gz DAALJCATQVHVBK-OAHLLOKOSA-N 2 2 284.407 3.245 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccnc1 ZINC000367437886 529015451 /nfs/dbraw/zinc/01/54/51/529015451.db2.gz KFCGWMAAVYLOOE-MRXNPFEDSA-N 2 2 284.407 3.245 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423389175 529177027 /nfs/dbraw/zinc/17/70/27/529177027.db2.gz NKHBUZLUACGSRF-HIFRSBDPSA-N 2 2 279.403 3.040 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154639827 529179413 /nfs/dbraw/zinc/17/94/13/529179413.db2.gz CPXNVTAOSCSWHD-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154639827 529179417 /nfs/dbraw/zinc/17/94/17/529179417.db2.gz CPXNVTAOSCSWHD-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)F ZINC000449366225 529181081 /nfs/dbraw/zinc/18/10/81/529181081.db2.gz YBYGZJKUYLMWJK-LLVKDONJSA-N 2 2 271.336 3.067 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000414225538 529208036 /nfs/dbraw/zinc/20/80/36/529208036.db2.gz SEYJIFRFJGMBHR-XKQJLSEDSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000414225538 529208038 /nfs/dbraw/zinc/20/80/38/529208038.db2.gz SEYJIFRFJGMBHR-XKQJLSEDSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000484307900 535897600 /nfs/dbraw/zinc/89/76/00/535897600.db2.gz MAVMIFDODFIYQR-KRWDZBQOSA-N 2 2 294.483 3.047 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1Cl ZINC000450851697 536753334 /nfs/dbraw/zinc/75/33/34/536753334.db2.gz BUQXKSTZRMDYNA-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1Cl ZINC000450851697 536753340 /nfs/dbraw/zinc/75/33/40/536753340.db2.gz BUQXKSTZRMDYNA-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1cc([NH+](C)C)ccc1Nc1[nH+]cnc2[nH]ccc21 ZINC000726967751 571693030 /nfs/dbraw/zinc/69/30/30/571693030.db2.gz WRRMPBWWYGVPQZ-UHFFFAOYSA-N 2 2 267.336 3.076 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881432 571891250 /nfs/dbraw/zinc/89/12/50/571891250.db2.gz BEMOJLMXYFAVBO-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881432 571891252 /nfs/dbraw/zinc/89/12/52/571891252.db2.gz BEMOJLMXYFAVBO-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881432 571891254 /nfs/dbraw/zinc/89/12/54/571891254.db2.gz BEMOJLMXYFAVBO-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881432 571891257 /nfs/dbraw/zinc/89/12/57/571891257.db2.gz BEMOJLMXYFAVBO-OCCSQVGLSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC1CC1 ZINC000394561670 572468596 /nfs/dbraw/zinc/46/85/96/572468596.db2.gz LFIIYCSSDCQUNY-MAUKXSAKSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC1CC1 ZINC000394561670 572468600 /nfs/dbraw/zinc/46/86/00/572468600.db2.gz LFIIYCSSDCQUNY-MAUKXSAKSA-N 2 2 272.436 3.287 20 0 CGADLP FC1(F)CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000398071331 572496109 /nfs/dbraw/zinc/49/61/09/572496109.db2.gz DPCLCWMNXIBFQV-AWEZNQCLSA-N 2 2 277.318 3.150 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000742388466 572574664 /nfs/dbraw/zinc/57/46/64/572574664.db2.gz VMVYKYMKSLKDFI-KGAUPUERSA-N 2 2 258.409 3.164 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000742388466 572574668 /nfs/dbraw/zinc/57/46/68/572574668.db2.gz VMVYKYMKSLKDFI-KGAUPUERSA-N 2 2 258.409 3.164 20 0 CGADLP Cc1[nH+]cc(CNc2ccc(C)c[nH+]2)n1-c1ccccc1 ZINC000742430550 572582565 /nfs/dbraw/zinc/58/25/65/572582565.db2.gz SWURHAOVEHBIBA-UHFFFAOYSA-N 2 2 278.359 3.496 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101616 618529692 /nfs/dbraw/zinc/52/96/92/618529692.db2.gz AMAYLHZBDSGGPL-SWLSCSKDSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101616 618529695 /nfs/dbraw/zinc/52/96/95/618529695.db2.gz AMAYLHZBDSGGPL-SWLSCSKDSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101616 618529698 /nfs/dbraw/zinc/52/96/98/618529698.db2.gz AMAYLHZBDSGGPL-SWLSCSKDSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)C[C@@H]1C ZINC000892101616 618529700 /nfs/dbraw/zinc/52/97/00/618529700.db2.gz AMAYLHZBDSGGPL-SWLSCSKDSA-N 2 2 296.842 3.350 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000892591132 618868789 /nfs/dbraw/zinc/86/87/89/618868789.db2.gz CJLISKBAXWFFGG-ZIAGYGMSSA-N 2 2 293.455 3.003 20 0 CGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311222986 618897590 /nfs/dbraw/zinc/89/75/90/618897590.db2.gz VSNKQILENCNBAB-GFCCVEGCSA-N 2 2 260.372 3.015 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000925683302 619131995 /nfs/dbraw/zinc/13/19/95/619131995.db2.gz NXBNMEUVGQXXSJ-FPMFFAJLSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000261551009 619288401 /nfs/dbraw/zinc/28/84/01/619288401.db2.gz LTFIETGIDPLJNX-AUTRQRHGSA-N 2 2 270.829 3.202 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000251657989 619389643 /nfs/dbraw/zinc/38/96/43/619389643.db2.gz GWTGKFQXOFMBOQ-ARFHVFGLSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595441 619587272 /nfs/dbraw/zinc/58/72/72/619587272.db2.gz YDDDLCVDKVITGI-MRXNPFEDSA-N 2 2 298.352 3.291 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595441 619587279 /nfs/dbraw/zinc/58/72/79/619587279.db2.gz YDDDLCVDKVITGI-MRXNPFEDSA-N 2 2 298.352 3.291 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595441 619587284 /nfs/dbraw/zinc/58/72/84/619587284.db2.gz YDDDLCVDKVITGI-MRXNPFEDSA-N 2 2 298.352 3.291 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894595441 619587288 /nfs/dbraw/zinc/58/72/88/619587288.db2.gz YDDDLCVDKVITGI-MRXNPFEDSA-N 2 2 298.352 3.291 20 0 CGADLP CS[C@H]1CC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112660 619736424 /nfs/dbraw/zinc/73/64/24/619736424.db2.gz CRKSUVMTWMGTGA-TUVASFSCSA-N 2 2 291.464 3.052 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000262319812 620074859 /nfs/dbraw/zinc/07/48/59/620074859.db2.gz QWZGEYAQAYLPHP-DLBZAZTESA-N 2 2 296.418 3.485 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)Cn1cc[nH+]c1 ZINC000067500510 620144230 /nfs/dbraw/zinc/14/42/30/620144230.db2.gz BLOXACSJULMNID-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1C ZINC000321162823 620286288 /nfs/dbraw/zinc/28/62/88/620286288.db2.gz XNBPWCPILGRZGU-APIJFGDWSA-N 2 2 263.429 3.322 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000897952282 620453984 /nfs/dbraw/zinc/45/39/84/620453984.db2.gz FFWJOKMFFBPQDB-DJIMGWMZSA-N 2 2 267.376 3.151 20 0 CGADLP COCc1csc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897982544 620462303 /nfs/dbraw/zinc/46/23/03/620462303.db2.gz NIXSDCAWOJNCRL-UHFFFAOYSA-N 2 2 294.464 3.001 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000040771877 620545129 /nfs/dbraw/zinc/54/51/29/620545129.db2.gz LHQYPAHGEINFPW-UHFFFAOYSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109787 620577364 /nfs/dbraw/zinc/57/73/64/620577364.db2.gz NWMCIQKEEGAFKD-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109787 620577368 /nfs/dbraw/zinc/57/73/68/620577368.db2.gz NWMCIQKEEGAFKD-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)c[nH+]1 ZINC000924729732 620580562 /nfs/dbraw/zinc/58/05/62/620580562.db2.gz AQYAAGKEIFFYTD-WMZOPIPTSA-N 2 2 298.434 3.059 20 0 CGADLP Fc1ccc(CC[NH+]2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC000898434059 620586947 /nfs/dbraw/zinc/58/69/47/620586947.db2.gz SBCJGZKOIUIHSE-OQYWKCLKSA-N 2 2 296.817 3.175 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Oc2ccccc2)cn1 ZINC000902405539 621309095 /nfs/dbraw/zinc/30/90/95/621309095.db2.gz IQBROSVSTZEOSO-CYBMUJFWSA-N 2 2 283.375 3.016 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H](C)c1ccccc1 ZINC000902436605 621317736 /nfs/dbraw/zinc/31/77/36/621317736.db2.gz CJTZDROZIDWFSH-WTVLQJKYSA-N 2 2 280.415 3.393 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902437871 621318870 /nfs/dbraw/zinc/31/88/70/621318870.db2.gz KVIHWMFRHKHXFB-UPRAQXHNSA-N 2 2 296.414 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444455 621321696 /nfs/dbraw/zinc/32/16/96/621321696.db2.gz NSODDVRHVITMLS-MJXNMMHHSA-N 2 2 296.414 3.361 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902473264 621324356 /nfs/dbraw/zinc/32/43/56/621324356.db2.gz WNXJXSPCYMNPAK-NKKGCODLSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2sccc21 ZINC000902468225 621339187 /nfs/dbraw/zinc/33/91/87/621339187.db2.gz RTNSQGQVVBFNRA-IGJDLRFWSA-N 2 2 262.422 3.169 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902849185 621472512 /nfs/dbraw/zinc/47/25/12/621472512.db2.gz HYUDGXJNESRFTD-OWCLPIDISA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902875340 621477116 /nfs/dbraw/zinc/47/71/16/621477116.db2.gz MJQRDFDOACTDRI-JVWICGRDSA-N 2 2 255.365 3.321 20 0 CGADLP COC1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000903001452 621526273 /nfs/dbraw/zinc/52/62/73/621526273.db2.gz VAZPXJUMLNYSDY-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048934 621554774 /nfs/dbraw/zinc/55/47/74/621554774.db2.gz YXKVKPXRGHFBAR-HIFRSBDPSA-N 2 2 253.349 3.242 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903794626 621805693 /nfs/dbraw/zinc/80/56/93/621805693.db2.gz AYZJLCBSCAUOCT-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903794626 621805696 /nfs/dbraw/zinc/80/56/96/621805696.db2.gz AYZJLCBSCAUOCT-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858208 621821771 /nfs/dbraw/zinc/82/17/71/621821771.db2.gz HPLHACIFMIFBEJ-AEFFLSMTSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858208 621821775 /nfs/dbraw/zinc/82/17/75/621821775.db2.gz HPLHACIFMIFBEJ-AEFFLSMTSA-N 2 2 288.435 3.132 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000904385620 621917185 /nfs/dbraw/zinc/91/71/85/621917185.db2.gz ADMTWNXDXSWUTH-STQMWFEESA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000904385620 621917187 /nfs/dbraw/zinc/91/71/87/621917187.db2.gz ADMTWNXDXSWUTH-STQMWFEESA-N 2 2 281.469 3.086 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000906537752 622246765 /nfs/dbraw/zinc/24/67/65/622246765.db2.gz KCZPSNBYSXTLSG-KRWDZBQOSA-N 2 2 273.424 3.183 20 0 CGADLP CCCC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000906537752 622246767 /nfs/dbraw/zinc/24/67/67/622246767.db2.gz KCZPSNBYSXTLSG-KRWDZBQOSA-N 2 2 273.424 3.183 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(C)c1OC(F)F ZINC000841089717 622423558 /nfs/dbraw/zinc/42/35/58/622423558.db2.gz KIRUFJPPLXVNPH-AWEZNQCLSA-N 2 2 298.377 3.137 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)[NH+]1CCC(C)CC1 ZINC000924851657 622708042 /nfs/dbraw/zinc/70/80/42/622708042.db2.gz BHIGTWMQECIBBB-SQNIBIBYSA-N 2 2 296.499 3.028 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000044529314 622792583 /nfs/dbraw/zinc/79/25/83/622792583.db2.gz WLMKPPSDUBSDJG-LBPRGKRZSA-N 2 2 289.810 3.059 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000044529314 622792590 /nfs/dbraw/zinc/79/25/90/622792590.db2.gz WLMKPPSDUBSDJG-LBPRGKRZSA-N 2 2 289.810 3.059 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000922842738 626056328 /nfs/dbraw/zinc/05/63/28/626056328.db2.gz MCPASQSRXJNURX-UKRRQHHQSA-N 2 2 287.432 3.246 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806141652 626794219 /nfs/dbraw/zinc/79/42/19/626794219.db2.gz KSIIMEIHFMDHSL-SQNIBIBYSA-N 2 2 295.430 3.482 20 0 CGADLP CCCCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000765857157 627275384 /nfs/dbraw/zinc/27/53/84/627275384.db2.gz AKTRVOVFVUYDLX-HNNXBMFYSA-N 2 2 284.488 3.434 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1 ZINC000766267074 627307379 /nfs/dbraw/zinc/30/73/79/627307379.db2.gz DORAYDBQJWFMMO-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1 ZINC000766267074 627307383 /nfs/dbraw/zinc/30/73/83/627307383.db2.gz DORAYDBQJWFMMO-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766268429 627308852 /nfs/dbraw/zinc/30/88/52/627308852.db2.gz LCYTVFCQCMYUQO-XHSDSOJGSA-N 2 2 290.451 3.261 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766268429 627308854 /nfs/dbraw/zinc/30/88/54/627308854.db2.gz LCYTVFCQCMYUQO-XHSDSOJGSA-N 2 2 290.451 3.261 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766273606 627311605 /nfs/dbraw/zinc/31/16/05/627311605.db2.gz QLLLUHBWGVPOQZ-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766273606 627311609 /nfs/dbraw/zinc/31/16/09/627311609.db2.gz QLLLUHBWGVPOQZ-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000766515094 627339195 /nfs/dbraw/zinc/33/91/95/627339195.db2.gz OAXDGXPOAHFEHL-KRWDZBQOSA-N 2 2 281.403 3.469 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353148 627614784 /nfs/dbraw/zinc/61/47/84/627614784.db2.gz SAJGKMOAFCCBJG-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353148 627614788 /nfs/dbraw/zinc/61/47/88/627614788.db2.gz SAJGKMOAFCCBJG-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353148 627614791 /nfs/dbraw/zinc/61/47/91/627614791.db2.gz SAJGKMOAFCCBJG-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)CC[C@@H]21 ZINC000770353148 627614794 /nfs/dbraw/zinc/61/47/94/627614794.db2.gz SAJGKMOAFCCBJG-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nc1 ZINC000776168509 628174341 /nfs/dbraw/zinc/17/43/41/628174341.db2.gz CIVFVCPIEFOCTQ-UHFFFAOYSA-N 2 2 293.842 3.232 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000777609942 628288235 /nfs/dbraw/zinc/28/82/35/628288235.db2.gz HUZYHBZUIKBFLO-KRWDZBQOSA-N 2 2 273.424 3.039 20 0 CGADLP C[C@H](CCO)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000779349072 628409640 /nfs/dbraw/zinc/40/96/40/628409640.db2.gz VMEJKLJDWHTQFR-CVEARBPZSA-N 2 2 290.451 3.011 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000793532734 629477266 /nfs/dbraw/zinc/47/72/66/629477266.db2.gz JHFDYLSZXOZTMF-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000793532734 629477268 /nfs/dbraw/zinc/47/72/68/629477268.db2.gz JHFDYLSZXOZTMF-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000793532728 629477437 /nfs/dbraw/zinc/47/74/37/629477437.db2.gz JHFDYLSZXOZTMF-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000793532728 629477440 /nfs/dbraw/zinc/47/74/40/629477440.db2.gz JHFDYLSZXOZTMF-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000799714839 630222639 /nfs/dbraw/zinc/22/26/39/630222639.db2.gz GVASOSFDJKBTGS-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000817575044 632185985 /nfs/dbraw/zinc/18/59/85/632185985.db2.gz UEONAQRBXYCDPM-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817954689 632249158 /nfs/dbraw/zinc/24/91/58/632249158.db2.gz HDHFREXSFZSYOC-OCCSQVGLSA-N 2 2 266.454 3.196 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000865815356 632899053 /nfs/dbraw/zinc/89/90/53/632899053.db2.gz VNZTYILSVLCKNK-KBPBESRZSA-N 2 2 276.424 3.294 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000865815356 632899056 /nfs/dbraw/zinc/89/90/56/632899056.db2.gz VNZTYILSVLCKNK-KBPBESRZSA-N 2 2 276.424 3.294 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000866347222 633092255 /nfs/dbraw/zinc/09/22/55/633092255.db2.gz GDCWUJUWYXSCBA-MRXNPFEDSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000866347222 633092264 /nfs/dbraw/zinc/09/22/64/633092264.db2.gz GDCWUJUWYXSCBA-MRXNPFEDSA-N 2 2 289.467 3.114 20 0 CGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000866706761 633234465 /nfs/dbraw/zinc/23/44/65/633234465.db2.gz KESLFTDJCRLJAO-INIZCTEOSA-N 2 2 293.480 3.217 20 0 CGADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000866706761 633234471 /nfs/dbraw/zinc/23/44/71/633234471.db2.gz KESLFTDJCRLJAO-INIZCTEOSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)s1 ZINC000827626506 633504365 /nfs/dbraw/zinc/50/43/65/633504365.db2.gz AEKSJKPZGKKCHL-CQSZACIVSA-N 2 2 293.480 3.217 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C3CCC3)C2)s1 ZINC000827626506 633504366 /nfs/dbraw/zinc/50/43/66/633504366.db2.gz AEKSJKPZGKKCHL-CQSZACIVSA-N 2 2 293.480 3.217 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000872016331 633936959 /nfs/dbraw/zinc/93/69/59/633936959.db2.gz IMNNUEXVOAIJMR-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000872064724 633978989 /nfs/dbraw/zinc/97/89/89/633978989.db2.gz KRNYYGIKGDWVJN-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H](C3CC3)C3CCC3)cc2)CC1 ZINC000834741743 634233540 /nfs/dbraw/zinc/23/35/40/634233540.db2.gz RTECHQFEYVLYOZ-IBGZPJMESA-N 2 2 299.462 3.429 20 0 CGADLP COCC(C)(C)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000873152943 634259884 /nfs/dbraw/zinc/25/98/84/634259884.db2.gz OFNVMYCQIOPWOB-UHFFFAOYSA-N 2 2 293.436 3.086 20 0 CGADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000873232094 634294661 /nfs/dbraw/zinc/29/46/61/634294661.db2.gz VOXTYUWBFYFREZ-CABCVRRESA-N 2 2 264.800 3.023 20 0 CGADLP Cc1cc([NH+](C)C)cc(C)c1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841012054 635106476 /nfs/dbraw/zinc/10/64/76/635106476.db2.gz XSBULZZEEIMICE-GJZGRUSLSA-N 2 2 275.440 3.169 20 0 CGADLP Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841012054 635106478 /nfs/dbraw/zinc/10/64/78/635106478.db2.gz XSBULZZEEIMICE-GJZGRUSLSA-N 2 2 275.440 3.169 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CSC[C@@H]4C3)cc2)c[nH+]1 ZINC000877736715 635169598 /nfs/dbraw/zinc/16/95/98/635169598.db2.gz AQFTUNUVBHVOMA-HOTGVXAUSA-N 2 2 299.443 3.057 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CSC[C@@H]4C3)cc2)c[nH+]1 ZINC000877736715 635169600 /nfs/dbraw/zinc/16/96/00/635169600.db2.gz AQFTUNUVBHVOMA-HOTGVXAUSA-N 2 2 299.443 3.057 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738128 635170960 /nfs/dbraw/zinc/17/09/60/635170960.db2.gz ABCLAFLHELYEST-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738128 635170966 /nfs/dbraw/zinc/17/09/66/635170966.db2.gz ABCLAFLHELYEST-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738128 635170975 /nfs/dbraw/zinc/17/09/75/635170975.db2.gz ABCLAFLHELYEST-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738128 635170982 /nfs/dbraw/zinc/17/09/82/635170982.db2.gz ABCLAFLHELYEST-IGCXYCKISA-N 2 2 294.389 3.094 20 0 CGADLP C=C/C=C/CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170934 635392815 /nfs/dbraw/zinc/39/28/15/635392815.db2.gz UKEFMXLVJWTKNI-SNAWJCMRSA-N 2 2 299.462 3.153 20 0 CGADLP C=C/C=C/CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170934 635392824 /nfs/dbraw/zinc/39/28/24/635392824.db2.gz UKEFMXLVJWTKNI-SNAWJCMRSA-N 2 2 299.462 3.153 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1cc2ccccc2nc1Cl)C1CC1 ZINC000843355947 635652538 /nfs/dbraw/zinc/65/25/38/635652538.db2.gz NWRMIPVSAZSOEL-MRXNPFEDSA-N 2 2 289.810 3.105 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880136356 635920402 /nfs/dbraw/zinc/92/04/02/635920402.db2.gz KUCFMSDECOMDQG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880136356 635920405 /nfs/dbraw/zinc/92/04/05/635920405.db2.gz KUCFMSDECOMDQG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880136356 635920410 /nfs/dbraw/zinc/92/04/10/635920410.db2.gz KUCFMSDECOMDQG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880136356 635920414 /nfs/dbraw/zinc/92/04/14/635920414.db2.gz KUCFMSDECOMDQG-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1CCc2ccccc21 ZINC000880143103 635924069 /nfs/dbraw/zinc/92/40/69/635924069.db2.gz XWVTZPPAFXIWJY-QXAKKESOSA-N 2 2 284.447 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1CCc2ccccc21 ZINC000880143103 635924074 /nfs/dbraw/zinc/92/40/74/635924074.db2.gz XWVTZPPAFXIWJY-QXAKKESOSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1CCc2ccccc21 ZINC000880143103 635924079 /nfs/dbraw/zinc/92/40/79/635924079.db2.gz XWVTZPPAFXIWJY-QXAKKESOSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1CCc2ccccc21 ZINC000880143103 635924083 /nfs/dbraw/zinc/92/40/83/635924083.db2.gz XWVTZPPAFXIWJY-QXAKKESOSA-N 2 2 284.447 3.275 20 0 CGADLP C1=C[C@@H]([N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203907 635936758 /nfs/dbraw/zinc/93/67/58/635936758.db2.gz GYHFNRLEDGCOAA-ZWKOTPCHSA-N 2 2 292.467 3.108 20 0 CGADLP C1=C[C@@H]([N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203907 635936764 /nfs/dbraw/zinc/93/67/64/635936764.db2.gz GYHFNRLEDGCOAA-ZWKOTPCHSA-N 2 2 292.467 3.108 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472635 636007354 /nfs/dbraw/zinc/00/73/54/636007354.db2.gz WKVWHWBBCMUJRD-IRXDYDNUSA-N 2 2 294.483 3.142 20 0 CGADLP CC1(C)CO[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569899 636022731 /nfs/dbraw/zinc/02/27/31/636022731.db2.gz LCIOTQQZOOZHMX-DLBZAZTESA-N 2 2 299.418 3.029 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000880568552 636022962 /nfs/dbraw/zinc/02/29/62/636022962.db2.gz CAFRECNFJDYRAN-INIZCTEOSA-N 2 2 298.415 3.179 20 0 CGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000880570636 636023598 /nfs/dbraw/zinc/02/35/98/636023598.db2.gz XJSMTDDTIXILOB-QZTJIDSGSA-N 2 2 299.418 3.029 20 0 CGADLP CCO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000880570645 636023849 /nfs/dbraw/zinc/02/38/49/636023849.db2.gz XMXRZWXTJFAWTE-MSOLQXFVSA-N 2 2 299.418 3.029 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCCC4(CC4)C3)CC2)[nH+]c1 ZINC000883172722 636566307 /nfs/dbraw/zinc/56/63/07/636566307.db2.gz QMTFXCZUQGHCKT-MRXNPFEDSA-N 2 2 285.435 3.363 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386233 636727063 /nfs/dbraw/zinc/72/70/63/636727063.db2.gz BYNDAFBVWWKHJA-OIISXLGYSA-N 2 2 269.392 3.403 20 0 CGADLP C[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429072 636751521 /nfs/dbraw/zinc/75/15/21/636751521.db2.gz KUDNPJFGVDBAHF-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP C[N@@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429072 636751525 /nfs/dbraw/zinc/75/15/25/636751525.db2.gz KUDNPJFGVDBAHF-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000133645801 636964638 /nfs/dbraw/zinc/96/46/38/636964638.db2.gz JOKTYXDLGRWPRJ-IIDMSEBBSA-N 2 2 290.451 3.228 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885980236 637342072 /nfs/dbraw/zinc/34/20/72/637342072.db2.gz WMZVBOVJZKXMCV-INIZCTEOSA-N 2 2 282.472 3.190 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885980236 637342078 /nfs/dbraw/zinc/34/20/78/637342078.db2.gz WMZVBOVJZKXMCV-INIZCTEOSA-N 2 2 282.472 3.190 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000886168119 637446437 /nfs/dbraw/zinc/44/64/37/637446437.db2.gz JAGYARDMBNAXHB-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000886168119 637446438 /nfs/dbraw/zinc/44/64/38/637446438.db2.gz JAGYARDMBNAXHB-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540989 637565521 /nfs/dbraw/zinc/56/55/21/637565521.db2.gz OEOASTDYAFENPD-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000886540989 637565527 /nfs/dbraw/zinc/56/55/27/637565527.db2.gz OEOASTDYAFENPD-WMLDXEAASA-N 2 2 269.392 3.046 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc2c(c1)CCCO2 ZINC000853248451 637794164 /nfs/dbraw/zinc/79/41/64/637794164.db2.gz GOLJGEAIFNFSLC-ZDUSSCGKSA-N 2 2 276.424 3.050 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000222554322 637801780 /nfs/dbraw/zinc/80/17/80/637801780.db2.gz MSSWGYMDZUJHQF-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000854221890 638026572 /nfs/dbraw/zinc/02/65/72/638026572.db2.gz BOCKUEGWMUUTLS-OWSLCNJRSA-N 2 2 288.410 3.049 20 0 CGADLP CC(C)(C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)[NH+]1CCCCC1 ZINC000924541696 638357022 /nfs/dbraw/zinc/35/70/22/638357022.db2.gz MQFAPJNWRISQLD-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925049793 638441923 /nfs/dbraw/zinc/44/19/23/638441923.db2.gz BGOLCLICNRWWRH-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925049793 638441928 /nfs/dbraw/zinc/44/19/28/638441928.db2.gz BGOLCLICNRWWRH-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000925086750 638448756 /nfs/dbraw/zinc/44/87/56/638448756.db2.gz RWUATUJGORRQQG-CZUORRHYSA-N 2 2 293.455 3.107 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925103466 638453404 /nfs/dbraw/zinc/45/34/04/638453404.db2.gz QTBIRXPSAMPMGZ-QZTJIDSGSA-N 2 2 287.451 3.095 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925103466 638453411 /nfs/dbraw/zinc/45/34/11/638453411.db2.gz QTBIRXPSAMPMGZ-QZTJIDSGSA-N 2 2 287.451 3.095 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142164 638460581 /nfs/dbraw/zinc/46/05/81/638460581.db2.gz NVVWHPCEMWITII-DZKIICNBSA-N 2 2 299.418 3.475 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142164 638460591 /nfs/dbraw/zinc/46/05/91/638460591.db2.gz NVVWHPCEMWITII-DZKIICNBSA-N 2 2 299.418 3.475 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925553347 638527167 /nfs/dbraw/zinc/52/71/67/638527167.db2.gz PAPPJETZTGNRFC-WMLDXEAASA-N 2 2 288.435 3.409 20 0 CGADLP Cc1cccc(C)c1C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925583824 638537365 /nfs/dbraw/zinc/53/73/65/638537365.db2.gz OJFCOFQWYXKJBA-MAUKXSAKSA-N 2 2 268.404 3.482 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2C=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000925731056 638585548 /nfs/dbraw/zinc/58/55/48/638585548.db2.gz JDWJLFZCWXHCEU-QGTPRVQTSA-N 2 2 286.419 3.044 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000925776004 638609235 /nfs/dbraw/zinc/60/92/35/638609235.db2.gz TXWCLEDTZAJFLP-UAGQMJEPSA-N 2 2 288.435 3.014 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(Cl)cc(Cl)c1F ZINC000925828009 638624670 /nfs/dbraw/zinc/62/46/70/638624670.db2.gz CSHNIHIHKJDELW-JGVFFNPUSA-N 2 2 291.197 3.391 20 0 CGADLP Cc1cc(C)nc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000929721603 638944903 /nfs/dbraw/zinc/94/49/03/638944903.db2.gz WTGODCCMSDHJOK-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000929721603 638944905 /nfs/dbraw/zinc/94/49/05/638944905.db2.gz WTGODCCMSDHJOK-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000929721603 638944908 /nfs/dbraw/zinc/94/49/08/638944908.db2.gz WTGODCCMSDHJOK-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000929721603 638944911 /nfs/dbraw/zinc/94/49/11/638944911.db2.gz WTGODCCMSDHJOK-QGZVFWFLSA-N 2 2 275.440 3.005 20 0 CGADLP CC1CC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000930129845 638976572 /nfs/dbraw/zinc/97/65/72/638976572.db2.gz UMMDIXGKMGCOPY-UHFFFAOYSA-N 2 2 259.397 3.004 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c(C)[nH+]1 ZINC000931173574 639120691 /nfs/dbraw/zinc/12/06/91/639120691.db2.gz UGBJWZYHJLNIDA-MRXNPFEDSA-N 2 2 270.380 3.053 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349917 639138512 /nfs/dbraw/zinc/13/85/12/639138512.db2.gz ATZLMAGLUVVVAG-CYBMUJFWSA-N 2 2 264.388 3.303 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000931349273 639138584 /nfs/dbraw/zinc/13/85/84/639138584.db2.gz VSPWRUCSKKYOLG-UHFFFAOYSA-N 2 2 296.842 3.135 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771447 639896333 /nfs/dbraw/zinc/89/63/33/639896333.db2.gz HTUIXHPNNDHWGS-INIZCTEOSA-N 2 2 290.451 3.035 20 0 CGADLP CC[NH+](CC)C1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC001165054576 722007172 /nfs/dbraw/zinc/00/71/72/722007172.db2.gz RTNBULXNBFCRCP-UHFFFAOYSA-N 2 2 293.480 3.255 20 0 CGADLP CCc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc(C)[nH+]1 ZINC001155348235 805575480 /nfs/dbraw/zinc/57/54/80/805575480.db2.gz LTPTZEMOROCQHJ-GFCCVEGCSA-N 2 2 280.375 3.311 20 0 CGADLP COc1ccc2c(cc[nH+]c2NCc2ccc(N)[nH+]c2C)c1 ZINC001156974355 805760582 /nfs/dbraw/zinc/76/05/82/805760582.db2.gz JJTLFBMVOCLGJV-UHFFFAOYSA-N 2 2 294.358 3.141 20 0 CGADLP CCC(CC)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257301626 807094280 /nfs/dbraw/zinc/09/42/80/807094280.db2.gz JXJIHIFDMXYMRW-UHFFFAOYSA-N 2 2 261.413 3.137 20 0 CGADLP CC(C)(C)CC(C)(C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158188766 805928317 /nfs/dbraw/zinc/92/83/17/805928317.db2.gz KSZZFDGTIYWYIR-UHFFFAOYSA-N 2 2 290.455 3.118 20 0 CGADLP CCc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1 ZINC001159261493 806068443 /nfs/dbraw/zinc/06/84/43/806068443.db2.gz LFQXJLDIZSTCDG-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159417160 806098405 /nfs/dbraw/zinc/09/84/05/806098405.db2.gz UARONCIWOAXJGX-UHFFFAOYSA-N 2 2 296.418 3.106 20 0 CGADLP [NH3+]CCc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001159672188 806147202 /nfs/dbraw/zinc/14/72/02/806147202.db2.gz PMRGBMZMYPFHCR-UHFFFAOYSA-N 2 2 296.418 3.317 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)C[NH2+]CCO3)ccc1[NH+](C)C ZINC001159796858 806175871 /nfs/dbraw/zinc/17/58/71/806175871.db2.gz NGPQJOIZWGJGMD-UHFFFAOYSA-N 2 2 297.402 3.287 20 0 CGADLP c1cc2cc[nH+]cc2c(Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC001159797142 806176289 /nfs/dbraw/zinc/17/62/89/806176289.db2.gz UBWFKVMPIKYEJW-UHFFFAOYSA-N 2 2 291.354 3.460 20 0 CGADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(C)c1 ZINC001253211200 806183232 /nfs/dbraw/zinc/18/32/32/806183232.db2.gz TXIMMMJJCXBXTJ-DZGCQCFKSA-N 2 2 298.858 3.002 20 0 CGADLP Cc1[nH+]cc(Nc2ccccc2C2=CC[NH2+]CC2)cc1N ZINC001160023672 806214818 /nfs/dbraw/zinc/21/48/18/806214818.db2.gz VBBWTLWKMWDZCA-UHFFFAOYSA-N 2 2 280.375 3.093 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC2)CC1 ZINC001254435715 806397007 /nfs/dbraw/zinc/39/70/07/806397007.db2.gz CKXMJSSDPGBEDH-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001254450068 806402955 /nfs/dbraw/zinc/40/29/55/806402955.db2.gz FIKTVMBFTVLEHV-UHFFFAOYSA-N 2 2 274.452 3.256 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC001254450068 806402957 /nfs/dbraw/zinc/40/29/57/806402957.db2.gz FIKTVMBFTVLEHV-UHFFFAOYSA-N 2 2 274.452 3.256 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254523960 806440659 /nfs/dbraw/zinc/44/06/59/806440659.db2.gz STFRPKWFBZARPB-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1CCC[NH+](C)CC1 ZINC001254523960 806440664 /nfs/dbraw/zinc/44/06/64/806440664.db2.gz STFRPKWFBZARPB-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@H]1CCC[N@H+](C)CC1 ZINC001254523960 806440667 /nfs/dbraw/zinc/44/06/67/806440667.db2.gz STFRPKWFBZARPB-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@H]1CCC[N@@H+](C)CC1 ZINC001254523960 806440672 /nfs/dbraw/zinc/44/06/72/806440672.db2.gz STFRPKWFBZARPB-AWEZNQCLSA-N 2 2 266.816 3.256 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841035 806495818 /nfs/dbraw/zinc/49/58/18/806495818.db2.gz REUXHEOYFGMTHC-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP c1ccc2cc(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)ccc2c1 ZINC001254837176 806493238 /nfs/dbraw/zinc/49/32/38/806493238.db2.gz SEDLQCIKGIKMFC-LJQANCHMSA-N 2 2 280.415 3.414 20 0 CGADLP CC(C)([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccc(F)cc1 ZINC001254842941 806495673 /nfs/dbraw/zinc/49/56/73/806495673.db2.gz HGMWWLSMTTWXPY-INIZCTEOSA-N 2 2 276.399 3.135 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254849017 806499338 /nfs/dbraw/zinc/49/93/38/806499338.db2.gz QOUJDIUOXQBHMR-RHSMWYFYSA-N 2 2 288.435 3.220 20 0 CGADLP F[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135445 806552199 /nfs/dbraw/zinc/55/21/99/806552199.db2.gz BIXLNDMAHMUXDD-WNRNVDISSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135445 806552204 /nfs/dbraw/zinc/55/22/04/806552204.db2.gz BIXLNDMAHMUXDD-WNRNVDISSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135445 806552209 /nfs/dbraw/zinc/55/22/09/806552209.db2.gz BIXLNDMAHMUXDD-WNRNVDISSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135445 806552211 /nfs/dbraw/zinc/55/22/11/806552211.db2.gz BIXLNDMAHMUXDD-WNRNVDISSA-N 2 2 288.410 3.226 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc[nH+]c(OCc3ccccc3)c2)C1 ZINC001162395082 806575183 /nfs/dbraw/zinc/57/51/83/806575183.db2.gz BTFSHLQODORKHJ-HZPDHXFCSA-N 2 2 297.402 3.342 20 0 CGADLP CCCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255333225 806619645 /nfs/dbraw/zinc/61/96/45/806619645.db2.gz IIAKBIDMHOBWEC-CQSZACIVSA-N 2 2 261.413 3.219 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001162558663 806619778 /nfs/dbraw/zinc/61/97/78/806619778.db2.gz DMEZMSDBUNEDMW-HUUCEWRRSA-N 2 2 275.440 3.251 20 0 CGADLP CCCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001255335012 806621381 /nfs/dbraw/zinc/62/13/81/806621381.db2.gz ZBIZDXCMPFNWPA-CYBMUJFWSA-N 2 2 279.403 3.358 20 0 CGADLP CC(C)(C)C(=[NH2+])Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001162664969 806643660 /nfs/dbraw/zinc/64/36/60/806643660.db2.gz ZDDCLQKOMZXEFC-UHFFFAOYSA-N 2 2 256.353 3.367 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC001255521643 806661099 /nfs/dbraw/zinc/66/10/99/806661099.db2.gz FWHZUMWXZZODPU-UHFFFAOYSA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC001255521643 806661104 /nfs/dbraw/zinc/66/11/04/806661104.db2.gz FWHZUMWXZZODPU-UHFFFAOYSA-N 2 2 289.345 3.326 20 0 CGADLP FC1(F)C[NH2+]CC[C@H]1CCNc1cc(C2CC2)cc[nH+]1 ZINC001162811969 806668199 /nfs/dbraw/zinc/66/81/99/806668199.db2.gz JCHAGNIUVFPNQF-ZDUSSCGKSA-N 2 2 281.350 3.006 20 0 CGADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156197 798860280 /nfs/dbraw/zinc/86/02/80/798860280.db2.gz PWSCXFZMWQEEBX-MRXNPFEDSA-N 2 2 271.408 3.396 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC=CCC1 ZINC000037156049 798860641 /nfs/dbraw/zinc/86/06/41/798860641.db2.gz WOKDJHSZXOJFTB-GJZGRUSLSA-N 2 2 261.413 3.244 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1F ZINC000037156772 798861566 /nfs/dbraw/zinc/86/15/66/798861566.db2.gz IKXCCQPZGUDCHZ-HNNXBMFYSA-N 2 2 275.371 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1 ZINC000037156573 798862139 /nfs/dbraw/zinc/86/21/39/798862139.db2.gz FOLQCGJICFYUPE-UKRRQHHQSA-N 2 2 272.396 3.044 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001255696675 806709412 /nfs/dbraw/zinc/70/94/12/806709412.db2.gz GWSSKJQVZJXDQQ-XQQFMLRXSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001255696675 806709415 /nfs/dbraw/zinc/70/94/15/806709415.db2.gz GWSSKJQVZJXDQQ-XQQFMLRXSA-N 2 2 290.373 3.324 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255704893 806711510 /nfs/dbraw/zinc/71/15/10/806711510.db2.gz HCIOYXFMSMPUNB-RYUDHWBXSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC001255704893 806711515 /nfs/dbraw/zinc/71/15/15/806711515.db2.gz HCIOYXFMSMPUNB-RYUDHWBXSA-N 2 2 287.329 3.128 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001255729704 806723988 /nfs/dbraw/zinc/72/39/88/806723988.db2.gz JKCPNUXXOJONEG-UONOGXRCSA-N 2 2 296.455 3.380 20 0 CGADLP Cc1[nH+]cn([C@H](C)CSc2ccc(F)cc2)c1CC[NH3+] ZINC001255733196 806725279 /nfs/dbraw/zinc/72/52/79/806725279.db2.gz RCNFDYCBHOZFFT-LLVKDONJSA-N 2 2 293.411 3.185 20 0 CGADLP Cc1cc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[NH+](C)C ZINC001163228785 806730480 /nfs/dbraw/zinc/73/04/80/806730480.db2.gz DAPSSTHQLHWBAH-AWEZNQCLSA-N 2 2 287.432 3.379 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000389198899 799461170 /nfs/dbraw/zinc/46/11/70/799461170.db2.gz YFGGXYYPKIUJSA-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000389198899 799461172 /nfs/dbraw/zinc/46/11/72/799461172.db2.gz YFGGXYYPKIUJSA-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001163367370 806750526 /nfs/dbraw/zinc/75/05/26/806750526.db2.gz YUHOTJICAMDNQT-UKRRQHHQSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC001163367370 806750531 /nfs/dbraw/zinc/75/05/31/806750531.db2.gz YUHOTJICAMDNQT-UKRRQHHQSA-N 2 2 290.455 3.439 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000394061356 799493316 /nfs/dbraw/zinc/49/33/16/799493316.db2.gz YNOMCQBLPUTIQO-HYVNUMGLSA-N 2 2 260.425 3.458 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000394061357 799493602 /nfs/dbraw/zinc/49/36/02/799493602.db2.gz YNOMCQBLPUTIQO-USXIJHARSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255837713 806763236 /nfs/dbraw/zinc/76/32/36/806763236.db2.gz HNLPNDYXXPWYSH-PBHICJAKSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255837713 806763243 /nfs/dbraw/zinc/76/32/43/806763243.db2.gz HNLPNDYXXPWYSH-PBHICJAKSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693905049 799817656 /nfs/dbraw/zinc/81/76/56/799817656.db2.gz AQLRETNWSPRSBV-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693905049 799817665 /nfs/dbraw/zinc/81/76/65/799817665.db2.gz AQLRETNWSPRSBV-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1F ZINC001255948225 806794235 /nfs/dbraw/zinc/79/42/35/806794235.db2.gz HNFLTIAPDDZFPA-GFCCVEGCSA-N 2 2 284.394 3.483 20 0 CGADLP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000713000528 800102689 /nfs/dbraw/zinc/10/26/89/800102689.db2.gz NBIVIOYYFXWCER-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719596911 800244550 /nfs/dbraw/zinc/24/45/50/800244550.db2.gz XHXNPSCRCKLUCK-OLZOCXBDSA-N 2 2 293.480 3.032 20 0 CGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CC2)CC1 ZINC000721574273 800294922 /nfs/dbraw/zinc/29/49/22/800294922.db2.gz CPAAWPDIRUEFIN-QGZVFWFLSA-N 2 2 270.420 3.095 20 0 CGADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCC2(CC2)CC1 ZINC000721574273 800294927 /nfs/dbraw/zinc/29/49/27/800294927.db2.gz CPAAWPDIRUEFIN-QGZVFWFLSA-N 2 2 270.420 3.095 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001256196440 806846668 /nfs/dbraw/zinc/84/66/68/806846668.db2.gz KMORUFSKNMSBBX-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001256207654 806849113 /nfs/dbraw/zinc/84/91/13/806849113.db2.gz RCBZJSCMEWWGGO-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001256207654 806849119 /nfs/dbraw/zinc/84/91/19/806849119.db2.gz RCBZJSCMEWWGGO-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536853 806912691 /nfs/dbraw/zinc/91/26/91/806912691.db2.gz GTGLRYQVZORNBG-RDJZCZTQSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536853 806912696 /nfs/dbraw/zinc/91/26/96/806912696.db2.gz GTGLRYQVZORNBG-RDJZCZTQSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542327 806913408 /nfs/dbraw/zinc/91/34/08/806913408.db2.gz OLIMVTVXBMQDET-FZCLSBEQSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542327 806913411 /nfs/dbraw/zinc/91/34/11/806913411.db2.gz OLIMVTVXBMQDET-FZCLSBEQSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542327 806913415 /nfs/dbraw/zinc/91/34/15/806913415.db2.gz OLIMVTVXBMQDET-FZCLSBEQSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542327 806913420 /nfs/dbraw/zinc/91/34/20/806913420.db2.gz OLIMVTVXBMQDET-FZCLSBEQSA-N 2 2 290.426 3.329 20 0 CGADLP FC[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256612403 806926638 /nfs/dbraw/zinc/92/66/38/806926638.db2.gz KGTSJESNTMRVEV-QGZVFWFLSA-N 2 2 276.399 3.085 20 0 CGADLP FC[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256612403 806926641 /nfs/dbraw/zinc/92/66/41/806926641.db2.gz KGTSJESNTMRVEV-QGZVFWFLSA-N 2 2 276.399 3.085 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC001116289445 802325835 /nfs/dbraw/zinc/32/58/35/802325835.db2.gz WCEGHDZCYWOZAU-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC001116289445 802325844 /nfs/dbraw/zinc/32/58/44/802325844.db2.gz WCEGHDZCYWOZAU-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cnccc2C2CC2)C1 ZINC001244284039 803278713 /nfs/dbraw/zinc/27/87/13/803278713.db2.gz NBFUHVSBVFNSID-INIZCTEOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cnccc2C2CC2)C1 ZINC001244284039 803278719 /nfs/dbraw/zinc/27/87/19/803278719.db2.gz NBFUHVSBVFNSID-INIZCTEOSA-N 2 2 293.414 3.159 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244616043 803466173 /nfs/dbraw/zinc/46/61/73/803466173.db2.gz JIFGOHJOVHQBMW-MRXNPFEDSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244616043 803466178 /nfs/dbraw/zinc/46/61/78/803466178.db2.gz JIFGOHJOVHQBMW-MRXNPFEDSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1csc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001137152226 803689049 /nfs/dbraw/zinc/68/90/49/803689049.db2.gz KMMRWLLYGXBJKS-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001137158420 803691614 /nfs/dbraw/zinc/69/16/14/803691614.db2.gz ROXLFTGTUQWILQ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001137158420 803691617 /nfs/dbraw/zinc/69/16/17/803691617.db2.gz ROXLFTGTUQWILQ-AWEZNQCLSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC001137332106 803716700 /nfs/dbraw/zinc/71/67/00/803716700.db2.gz GWWCDSGARLNFNE-UHFFFAOYSA-N 2 2 294.402 3.449 20 0 CGADLP Cc1cc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001137333745 803717999 /nfs/dbraw/zinc/71/79/99/803717999.db2.gz QYHLIRJPRYVIEF-UHFFFAOYSA-N 2 2 289.467 3.470 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001137333745 803718004 /nfs/dbraw/zinc/71/80/04/803718004.db2.gz QYHLIRJPRYVIEF-UHFFFAOYSA-N 2 2 289.467 3.470 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ccc(F)cc12 ZINC001137342513 803720478 /nfs/dbraw/zinc/72/04/78/803720478.db2.gz BDSBITPISCMRDC-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ccc(F)cc12 ZINC001137342513 803720482 /nfs/dbraw/zinc/72/04/82/803720482.db2.gz BDSBITPISCMRDC-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)[nH]3)C[C@H]2C1 ZINC001137379618 803725936 /nfs/dbraw/zinc/72/59/36/803725936.db2.gz YHEFPZHAJYHSHL-HUUCEWRRSA-N 2 2 289.467 3.086 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001137660468 803753437 /nfs/dbraw/zinc/75/34/37/803753437.db2.gz LUOMPBJSWVLPPF-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC001137660468 803753440 /nfs/dbraw/zinc/75/34/40/803753440.db2.gz LUOMPBJSWVLPPF-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc(-c2ccccc2C[NH+]2CCCC2)c[nH+]c1N ZINC001245538184 803796121 /nfs/dbraw/zinc/79/61/21/803796121.db2.gz XUINFLYPJNHGJP-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP Cc1cc(-c2cccc(C3CC[NH+](C)CC3)c2)c[nH+]c1N ZINC001245540345 803797968 /nfs/dbraw/zinc/79/79/68/803797968.db2.gz AZHZXHZLBGHPEV-UHFFFAOYSA-N 2 2 281.403 3.448 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)c[nH+]c1N ZINC001245541373 803799663 /nfs/dbraw/zinc/79/96/63/803799663.db2.gz RYGAUZLRWGJSEV-OAHLLOKOSA-N 2 2 267.376 3.058 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CC[N@H+](C)C3)cc2)c[nH+]c1N ZINC001245541373 803799664 /nfs/dbraw/zinc/79/96/64/803799664.db2.gz RYGAUZLRWGJSEV-OAHLLOKOSA-N 2 2 267.376 3.058 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)ccc1C(F)(F)F ZINC001138086594 803848912 /nfs/dbraw/zinc/84/89/12/803848912.db2.gz GGEUBXJEJARTJV-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)ccc1C(F)(F)F ZINC001138086594 803848922 /nfs/dbraw/zinc/84/89/22/803848922.db2.gz GGEUBXJEJARTJV-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP CCc1cccc2c(C[N@H+](CC)CCn3cc[nH+]c3)c[nH]c21 ZINC001138364062 803904290 /nfs/dbraw/zinc/90/42/90/803904290.db2.gz PVHMCFKKRCOLEH-UHFFFAOYSA-N 2 2 296.418 3.449 20 0 CGADLP CCc1cccc2c(C[N@@H+](CC)CCn3cc[nH+]c3)c[nH]c21 ZINC001138364062 803904295 /nfs/dbraw/zinc/90/42/95/803904295.db2.gz PVHMCFKKRCOLEH-UHFFFAOYSA-N 2 2 296.418 3.449 20 0 CGADLP c1cn(-c2ccc(-c3ccc4c[nH+]cn4c3)cc2)c[nH+]1 ZINC001245897861 804026879 /nfs/dbraw/zinc/02/68/79/804026879.db2.gz ISHJDZXPYMTIHL-UHFFFAOYSA-N 2 2 260.300 3.187 20 0 CGADLP CC[N@H+](Cc1ccc2occc2c1)C1CC[NH+](C)CC1 ZINC001138821756 804047463 /nfs/dbraw/zinc/04/74/63/804047463.db2.gz FIUBHAABVVGKGL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](Cc1ccc2occc2c1)C1CC[NH+](C)CC1 ZINC001138821756 804047470 /nfs/dbraw/zinc/04/74/70/804047470.db2.gz FIUBHAABVVGKGL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001139001594 804104954 /nfs/dbraw/zinc/10/49/54/804104954.db2.gz HQIAJTMOQPRDEE-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001139001594 804104956 /nfs/dbraw/zinc/10/49/56/804104956.db2.gz HQIAJTMOQPRDEE-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246074505 804113541 /nfs/dbraw/zinc/11/35/41/804113541.db2.gz DXHBOPSCYBYHEV-BEFAXECRSA-N 2 2 298.430 3.306 20 0 CGADLP CCCCCC(CCCCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090765 804121883 /nfs/dbraw/zinc/12/18/83/804121883.db2.gz ZCFOECLLAYRGKC-MRXNPFEDSA-N 2 2 270.461 3.094 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246091331 804123774 /nfs/dbraw/zinc/12/37/74/804123774.db2.gz PJACUWVMCABLOU-CABCVRRESA-N 2 2 278.465 3.207 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246100920 804133342 /nfs/dbraw/zinc/13/33/42/804133342.db2.gz YBNHFLMZZBRZKU-ULQDDVLXSA-N 2 2 278.415 3.078 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139193675 804157829 /nfs/dbraw/zinc/15/78/29/804157829.db2.gz KHEBFSQZGNQAJF-UHFFFAOYSA-N 2 2 299.462 3.485 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246169946 804184551 /nfs/dbraw/zinc/18/45/51/804184551.db2.gz KCSKAZGUGZIDRX-IBGZPJMESA-N 2 2 282.431 3.387 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C[NH2+]1 ZINC001246176685 804191022 /nfs/dbraw/zinc/19/10/22/804191022.db2.gz QSNJBROQXWECKB-SUMWQHHRSA-N 2 2 284.378 3.333 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196281 804203462 /nfs/dbraw/zinc/20/34/62/804203462.db2.gz SFNCZTQSFMSMNS-KURKYZTESA-N 3 2 295.515 3.151 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196281 804203468 /nfs/dbraw/zinc/20/34/68/804203468.db2.gz SFNCZTQSFMSMNS-KURKYZTESA-N 3 2 295.515 3.151 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]1 ZINC001246230255 804223941 /nfs/dbraw/zinc/22/39/41/804223941.db2.gz FLHGESCHNYTOMC-DZGCQCFKSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1cnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001139814065 804290048 /nfs/dbraw/zinc/29/00/48/804290048.db2.gz VXHRRBMXLQSCGA-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001139814065 804290055 /nfs/dbraw/zinc/29/00/55/804290055.db2.gz VXHRRBMXLQSCGA-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001139814065 804290062 /nfs/dbraw/zinc/29/00/62/804290062.db2.gz VXHRRBMXLQSCGA-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001139814065 804290069 /nfs/dbraw/zinc/29/00/69/804290069.db2.gz VXHRRBMXLQSCGA-GJZGRUSLSA-N 2 2 293.480 3.290 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C[C@H]2CSCC[NH2+]2)CC1 ZINC001246334870 804290237 /nfs/dbraw/zinc/29/02/37/804290237.db2.gz FODRYEPJFIHCKY-NRXISQOPSA-N 2 2 284.513 3.276 20 0 CGADLP CCCCCC[C@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337641 804290656 /nfs/dbraw/zinc/29/06/56/804290656.db2.gz URFFDAFLMXGRGL-KBPBESRZSA-N 2 2 258.475 3.030 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC[NH2+]1 ZINC001246370289 804307111 /nfs/dbraw/zinc/30/71/11/804307111.db2.gz GFTHCPRPPRKOOL-QEJZJMRPSA-N 2 2 294.826 3.140 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)C[NH2+]1 ZINC001246407404 804324116 /nfs/dbraw/zinc/32/41/16/804324116.db2.gz SIACXAKWUMLALY-RLCCDNCMSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2cccc(F)c2)C[NH2+]1 ZINC001246446976 804335311 /nfs/dbraw/zinc/33/53/11/804335311.db2.gz FKFRDUQWITWNDR-OAUYIBNBSA-N 2 2 276.399 3.397 20 0 CGADLP CC[C@]1([NH2+][C@H](C)CSc2ccc(F)cc2)CC[NH2+]C1 ZINC001246459391 804339276 /nfs/dbraw/zinc/33/92/76/804339276.db2.gz JYLJGMXQSKLGSU-DOMZBBRYSA-N 2 2 282.428 3.038 20 0 CGADLP CC[C@@]1([NH2+][C@H](C)CSc2ccc(C)cc2)CC[NH2+]C1 ZINC001246462230 804343590 /nfs/dbraw/zinc/34/35/90/804343590.db2.gz RTGNEKJGLSMFLE-GDBMZVCRSA-N 2 2 278.465 3.207 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1c(F)cccc1F ZINC001246469434 804348155 /nfs/dbraw/zinc/34/81/55/804348155.db2.gz QGXKQUHHYLBQMP-MJVIPROJSA-N 2 2 268.351 3.146 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cn3)C[C@H]2C1 ZINC001140000165 804348358 /nfs/dbraw/zinc/34/83/58/804348358.db2.gz FQRDNRZKVJRONY-QZTJIDSGSA-N 2 2 295.430 3.008 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246505265 804366156 /nfs/dbraw/zinc/36/61/56/804366156.db2.gz VHYPQJJYWAYGOG-ZTYOMDHBSA-N 2 2 299.245 3.122 20 0 CGADLP CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246511095 804366998 /nfs/dbraw/zinc/36/69/98/804366998.db2.gz OXRGEGLSTYTSDI-BBRMVZONSA-N 2 2 264.413 3.253 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246539951 804387039 /nfs/dbraw/zinc/38/70/39/804387039.db2.gz CGNXQLSPQLQTKH-MISXGVKJSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246539951 804387047 /nfs/dbraw/zinc/38/70/47/804387047.db2.gz CGNXQLSPQLQTKH-MISXGVKJSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559356 804408526 /nfs/dbraw/zinc/40/85/26/804408526.db2.gz PGGHBRTXEXJLNW-OCCSQVGLSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559356 804408532 /nfs/dbraw/zinc/40/85/32/804408532.db2.gz PGGHBRTXEXJLNW-OCCSQVGLSA-N 2 2 282.428 3.120 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140389107 804428105 /nfs/dbraw/zinc/42/81/05/804428105.db2.gz LUVMRFBMHXKKHB-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610287 804444975 /nfs/dbraw/zinc/44/49/75/804444975.db2.gz OZOUBWYEULYYQX-IRXDYDNUSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610287 804444979 /nfs/dbraw/zinc/44/49/79/804444979.db2.gz OZOUBWYEULYYQX-IRXDYDNUSA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246620293 804453146 /nfs/dbraw/zinc/45/31/46/804453146.db2.gz RITISQOZXZLLQL-BPAWZDJUSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@@H]1C ZINC001246620293 804453151 /nfs/dbraw/zinc/45/31/51/804453151.db2.gz RITISQOZXZLLQL-BPAWZDJUSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632185 804462070 /nfs/dbraw/zinc/46/20/70/804462070.db2.gz UQXFYMYDECXNKJ-LRDDRELGSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001246632185 804462074 /nfs/dbraw/zinc/46/20/74/804462074.db2.gz UQXFYMYDECXNKJ-LRDDRELGSA-N 2 2 296.817 3.096 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645512 804472659 /nfs/dbraw/zinc/47/26/59/804472659.db2.gz BVSKRFFEDJPMMK-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645512 804472661 /nfs/dbraw/zinc/47/26/61/804472661.db2.gz BVSKRFFEDJPMMK-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C[NH2+]1 ZINC001246646648 804473244 /nfs/dbraw/zinc/47/32/44/804473244.db2.gz GNAXFSVHCMRMOP-NVXWUHKLSA-N 2 2 282.431 3.188 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246646475 804473709 /nfs/dbraw/zinc/47/37/09/804473709.db2.gz FGBSXDICBXMATO-BBRMVZONSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001246646475 804473712 /nfs/dbraw/zinc/47/37/12/804473712.db2.gz FGBSXDICBXMATO-BBRMVZONSA-N 2 2 294.439 3.134 20 0 CGADLP CC(C)(C)C1CCC([N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651616 804478695 /nfs/dbraw/zinc/47/86/95/804478695.db2.gz WSDCPTKNYINYBC-LEOMRAHMSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C)C1CCC([N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651616 804478701 /nfs/dbraw/zinc/47/87/01/804478701.db2.gz WSDCPTKNYINYBC-LEOMRAHMSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246657657 804482422 /nfs/dbraw/zinc/48/24/22/804482422.db2.gz XEWVHIALQBXJCF-WDNDVIMCSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246657657 804482427 /nfs/dbraw/zinc/48/24/27/804482427.db2.gz XEWVHIALQBXJCF-WDNDVIMCSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662507 804485009 /nfs/dbraw/zinc/48/50/09/804485009.db2.gz HXCABGHQZARIRS-AXAPSJFSSA-N 2 2 296.817 3.223 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662507 804485011 /nfs/dbraw/zinc/48/50/11/804485011.db2.gz HXCABGHQZARIRS-AXAPSJFSSA-N 2 2 296.817 3.223 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001246661446 804485518 /nfs/dbraw/zinc/48/55/18/804485518.db2.gz XKGMEEXTBJVFFS-UXLLHSPISA-N 2 2 290.476 3.159 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001246661446 804485521 /nfs/dbraw/zinc/48/55/21/804485521.db2.gz XKGMEEXTBJVFFS-UXLLHSPISA-N 2 2 290.476 3.159 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246669505 804488722 /nfs/dbraw/zinc/48/87/22/804488722.db2.gz AUQFZYGVCVEDIQ-XUJVJEKNSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246669505 804488726 /nfs/dbraw/zinc/48/87/26/804488726.db2.gz AUQFZYGVCVEDIQ-XUJVJEKNSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC001246688903 804497623 /nfs/dbraw/zinc/49/76/23/804497623.db2.gz IIIRNEUQLRFCNF-PBHICJAKSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2C[NH2+][C@@H](C)C2)CC1 ZINC001246745770 804500825 /nfs/dbraw/zinc/50/08/25/804500825.db2.gz GDYOIZAGYIPGIE-RDJZCZTQSA-N 2 2 284.447 3.025 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(c3cccs3)CC2)C[NH2+]1 ZINC001246786936 804511422 /nfs/dbraw/zinc/51/14/22/804511422.db2.gz BFXRMPMNPHOMFJ-JSGCOSHPSA-N 2 2 264.438 3.068 20 0 CGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801853 804520518 /nfs/dbraw/zinc/52/05/18/804520518.db2.gz IHKNICXCDZEIOT-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801853 804520521 /nfs/dbraw/zinc/52/05/21/804520521.db2.gz IHKNICXCDZEIOT-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246802834 804524130 /nfs/dbraw/zinc/52/41/30/804524130.db2.gz XHKWBFLODSMHSK-JKSUJKDBSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246802834 804524134 /nfs/dbraw/zinc/52/41/34/804524134.db2.gz XHKWBFLODSMHSK-JKSUJKDBSA-N 2 2 262.372 3.105 20 0 CGADLP CC(C)CC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827183 804539214 /nfs/dbraw/zinc/53/92/14/804539214.db2.gz IKBQVRGEKYOHSA-TUAOUCFPSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827183 804539215 /nfs/dbraw/zinc/53/92/15/804539215.db2.gz IKBQVRGEKYOHSA-TUAOUCFPSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844700 804554644 /nfs/dbraw/zinc/55/46/44/804554644.db2.gz BQNTWSXXAYLGPB-YOEHRIQHSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844700 804554649 /nfs/dbraw/zinc/55/46/49/804554649.db2.gz BQNTWSXXAYLGPB-YOEHRIQHSA-N 2 2 292.854 3.475 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847115 804556520 /nfs/dbraw/zinc/55/65/20/804556520.db2.gz JHIDKDQICONRAX-UONOGXRCSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847115 804556526 /nfs/dbraw/zinc/55/65/26/804556526.db2.gz JHIDKDQICONRAX-UONOGXRCSA-N 2 2 278.827 3.229 20 0 CGADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848558 804557601 /nfs/dbraw/zinc/55/76/01/804557601.db2.gz WLKYPJKDTJVIMR-MSOLQXFVSA-N 2 2 284.447 3.368 20 0 CGADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848558 804557604 /nfs/dbraw/zinc/55/76/04/804557604.db2.gz WLKYPJKDTJVIMR-MSOLQXFVSA-N 2 2 284.447 3.368 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903606 804590469 /nfs/dbraw/zinc/59/04/69/804590469.db2.gz ZDZANKNQAGNWHP-JMSVASOKSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903606 804590473 /nfs/dbraw/zinc/59/04/73/804590473.db2.gz ZDZANKNQAGNWHP-JMSVASOKSA-N 2 2 280.362 3.242 20 0 CGADLP Fc1ccc(S[C@H]2CC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246910305 804593615 /nfs/dbraw/zinc/59/36/15/804593615.db2.gz LUMYAWUTUFZRIR-ZBFHGGJFSA-N 2 2 294.439 3.134 20 0 CGADLP Fc1ccc(S[C@H]2CC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC001246910305 804593620 /nfs/dbraw/zinc/59/36/20/804593620.db2.gz LUMYAWUTUFZRIR-ZBFHGGJFSA-N 2 2 294.439 3.134 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]([C@@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930772 804605682 /nfs/dbraw/zinc/60/56/82/804605682.db2.gz VZTFPZUYBOCHHI-DLBZAZTESA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]([C@@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930772 804605686 /nfs/dbraw/zinc/60/56/86/804605686.db2.gz VZTFPZUYBOCHHI-DLBZAZTESA-N 2 2 288.435 3.017 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953596 804618325 /nfs/dbraw/zinc/61/83/25/804618325.db2.gz RYNRKMMUUPGDKZ-ROUUACIJSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953596 804618327 /nfs/dbraw/zinc/61/83/27/804618327.db2.gz RYNRKMMUUPGDKZ-ROUUACIJSA-N 2 2 289.467 3.460 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965977 804619327 /nfs/dbraw/zinc/61/93/27/804619327.db2.gz RBQNBQNIQXRJOL-WMLDXEAASA-N 2 2 258.409 3.182 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965977 804619329 /nfs/dbraw/zinc/61/93/29/804619329.db2.gz RBQNBQNIQXRJOL-WMLDXEAASA-N 2 2 258.409 3.182 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2nc(C)ccc2c1 ZINC001141484957 804647514 /nfs/dbraw/zinc/64/75/14/804647514.db2.gz HPGIUIIPRFJCGP-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2nc(C)ccc2c1 ZINC001141484957 804647520 /nfs/dbraw/zinc/64/75/20/804647520.db2.gz HPGIUIIPRFJCGP-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CC[N@H+](Cc1c(C)cc(OC)cc1C)C1CC[NH+](C)CC1 ZINC001142935166 804787597 /nfs/dbraw/zinc/78/75/97/804787597.db2.gz RKASSRNAYGGSCQ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(OC)cc1C)C1CC[NH+](C)CC1 ZINC001142935166 804787601 /nfs/dbraw/zinc/78/76/01/804787601.db2.gz RKASSRNAYGGSCQ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001165290669 806988609 /nfs/dbraw/zinc/98/86/09/806988609.db2.gz WMTLUBFXSXYQOE-INIZCTEOSA-N 2 2 298.434 3.075 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001165290669 806988614 /nfs/dbraw/zinc/98/86/14/806988614.db2.gz WMTLUBFXSXYQOE-INIZCTEOSA-N 2 2 298.434 3.075 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(O)c2C)CC1 ZINC001144118573 804938453 /nfs/dbraw/zinc/93/84/53/804938453.db2.gz BMMNNMGADLLFOB-UHFFFAOYSA-N 2 2 276.424 3.007 20 0 CGADLP CC[N@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248539043 804946233 /nfs/dbraw/zinc/94/62/33/804946233.db2.gz KYDIYJBBPFMDMW-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[N@@H+](Cc1c2ccoc2ccc1F)C1CC[NH+](C)CC1 ZINC001248539043 804946235 /nfs/dbraw/zinc/94/62/35/804946235.db2.gz KYDIYJBBPFMDMW-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc2ccccc12 ZINC001155057352 805530235 /nfs/dbraw/zinc/53/02/35/805530235.db2.gz FCOXHOSVFWQDBZ-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2cc(-c3ccncc3)cc[nH+]2)C1 ZINC001165259938 806982629 /nfs/dbraw/zinc/98/26/29/806982629.db2.gz BZPOEUKYTPARKS-OAHLLOKOSA-N 2 2 296.418 3.287 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2cc(-c3ccncc3)cc[nH+]2)C1 ZINC001165259938 806982637 /nfs/dbraw/zinc/98/26/37/806982637.db2.gz BZPOEUKYTPARKS-OAHLLOKOSA-N 2 2 296.418 3.287 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2COc3cc(Cl)ccc32)CC1 ZINC001257211238 807063241 /nfs/dbraw/zinc/06/32/41/807063241.db2.gz CHDYSQMRMOIEFC-OAHLLOKOSA-N 2 2 294.826 3.236 20 0 CGADLP c1ccc2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]cc2c1 ZINC001166899935 807111227 /nfs/dbraw/zinc/11/12/27/807111227.db2.gz BIRKLQXWKSCUHP-QGZVFWFLSA-N 2 2 281.403 3.203 20 0 CGADLP C[NH+]1CCC([NH+](C2CCCC2)C2CCCC2)CC1 ZINC001257355382 807120356 /nfs/dbraw/zinc/12/03/56/807120356.db2.gz XJELQBHZOOOOFV-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001257433089 807153379 /nfs/dbraw/zinc/15/33/79/807153379.db2.gz KOBDWFJOLLLUAQ-RDJZCZTQSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@@H]1CCCCN1c1cccc(NCc2cc[nH+]c(N)c2)[nH+]1 ZINC001167616984 807216811 /nfs/dbraw/zinc/21/68/11/807216811.db2.gz ISCNUWXLXGFYTD-CYBMUJFWSA-N 2 2 297.406 3.050 20 0 CGADLP Cc1cc[nH+]c2cc(NCc3cc[nH+]c(N)c3)ccc12 ZINC001167616319 807217020 /nfs/dbraw/zinc/21/70/20/807217020.db2.gz GBYKJWSNTXYBMM-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCC3(COC3)CC2)cc1 ZINC001257904207 807248936 /nfs/dbraw/zinc/24/89/36/807248936.db2.gz SMFKQEUIGSFQAI-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001258016153 807266430 /nfs/dbraw/zinc/26/64/30/807266430.db2.gz BIHMJGWZAQWPBQ-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001258016153 807266435 /nfs/dbraw/zinc/26/64/35/807266435.db2.gz BIHMJGWZAQWPBQ-UHFFFAOYSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258095162 807304823 /nfs/dbraw/zinc/30/48/23/807304823.db2.gz DSRXOPWEVNJBLD-ARFHVFGLSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258095162 807304830 /nfs/dbraw/zinc/30/48/30/807304830.db2.gz DSRXOPWEVNJBLD-ARFHVFGLSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258095162 807304836 /nfs/dbraw/zinc/30/48/36/807304836.db2.gz DSRXOPWEVNJBLD-ARFHVFGLSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258095162 807304844 /nfs/dbraw/zinc/30/48/44/807304844.db2.gz DSRXOPWEVNJBLD-ARFHVFGLSA-N 2 2 250.430 3.147 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001168171144 807332944 /nfs/dbraw/zinc/33/29/44/807332944.db2.gz VKEOMJFBOMMHRI-ZDUSSCGKSA-N 2 2 290.794 3.335 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1C[C@@H](C)C[C@H](C)C1 ZINC001258175614 807342457 /nfs/dbraw/zinc/34/24/57/807342457.db2.gz UZFRTDFKYZGJFJ-KBPBESRZSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1C[C@@H](C)C[C@H](C)C1 ZINC001258175614 807342462 /nfs/dbraw/zinc/34/24/62/807342462.db2.gz UZFRTDFKYZGJFJ-KBPBESRZSA-N 2 2 252.446 3.227 20 0 CGADLP CCc1cccc(Nc2cccc(N3CC[NH+](C)CC3)c2)[nH+]1 ZINC001212711551 815111114 /nfs/dbraw/zinc/11/11/14/815111114.db2.gz GHIWWHABXSYDEW-UHFFFAOYSA-N 2 2 296.418 3.139 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCCCC3)C[C@H]21 ZINC001258242988 807384214 /nfs/dbraw/zinc/38/42/14/807384214.db2.gz CWEUFYXSRFXERN-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCCCC3)C[C@H]21 ZINC001258242988 807384219 /nfs/dbraw/zinc/38/42/19/807384219.db2.gz CWEUFYXSRFXERN-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242988 807384224 /nfs/dbraw/zinc/38/42/24/807384224.db2.gz CWEUFYXSRFXERN-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242988 807384232 /nfs/dbraw/zinc/38/42/32/807384232.db2.gz CWEUFYXSRFXERN-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414437 807409092 /nfs/dbraw/zinc/40/90/92/807409092.db2.gz GDHRHHVCVDVWCH-MSOLQXFVSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414437 807409094 /nfs/dbraw/zinc/40/90/94/807409094.db2.gz GDHRHHVCVDVWCH-MSOLQXFVSA-N 2 2 290.426 3.003 20 0 CGADLP Cc1ccc(C)c(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001168544958 807443343 /nfs/dbraw/zinc/44/33/43/807443343.db2.gz MVSKFJLJBHPBJD-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP C[C@@H](CC1CC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258475009 807472069 /nfs/dbraw/zinc/47/20/69/807472069.db2.gz ZZYHDYDSROGGIU-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H](CC1CC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258475009 807472075 /nfs/dbraw/zinc/47/20/75/807472075.db2.gz ZZYHDYDSROGGIU-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP CCC[C@@H](Cc1ccccc1)n1c[nH+]c(C)c1CC[NH3+] ZINC001258649681 807522327 /nfs/dbraw/zinc/52/23/27/807522327.db2.gz NOODLYOZGUCNAD-INIZCTEOSA-N 2 2 271.408 3.277 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001258703802 807558497 /nfs/dbraw/zinc/55/84/97/807558497.db2.gz LDTCLINZEPGOIK-GOSISDBHSA-N 2 2 274.452 3.473 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001169099602 807575765 /nfs/dbraw/zinc/57/57/65/807575765.db2.gz CJOQPUMVOKGFPW-QDMKHBRRSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001169099602 807575768 /nfs/dbraw/zinc/57/57/68/807575768.db2.gz CJOQPUMVOKGFPW-QDMKHBRRSA-N 2 2 278.827 3.363 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC001169098103 807576802 /nfs/dbraw/zinc/57/68/02/807576802.db2.gz FZDDFCLVQFVXHI-ZSOGYDGISA-N 2 2 296.361 3.003 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC001169098103 807576806 /nfs/dbraw/zinc/57/68/06/807576806.db2.gz FZDDFCLVQFVXHI-ZSOGYDGISA-N 2 2 296.361 3.003 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258746071 807590427 /nfs/dbraw/zinc/59/04/27/807590427.db2.gz ZLXSOTQUCYBJAS-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258746071 807590428 /nfs/dbraw/zinc/59/04/28/807590428.db2.gz ZLXSOTQUCYBJAS-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP CCC[NH+]1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001258771225 807605436 /nfs/dbraw/zinc/60/54/36/807605436.db2.gz YMUABQLXAQFYPQ-UHFFFAOYSA-N 2 2 295.858 3.434 20 0 CGADLP CC[NH+]1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001169244737 807612354 /nfs/dbraw/zinc/61/23/54/807612354.db2.gz UJIKJHGMWSDMSW-UHFFFAOYSA-N 2 2 281.831 3.044 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001169241068 807612379 /nfs/dbraw/zinc/61/23/79/807612379.db2.gz GCUNPTSLQGGIIM-INIZCTEOSA-N 2 2 293.842 3.260 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258851006 807659351 /nfs/dbraw/zinc/65/93/51/807659351.db2.gz BSJHGONZSSGGJH-KSZLIROESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258851006 807659352 /nfs/dbraw/zinc/65/93/52/807659352.db2.gz BSJHGONZSSGGJH-KSZLIROESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258851006 807659355 /nfs/dbraw/zinc/65/93/55/807659355.db2.gz BSJHGONZSSGGJH-KSZLIROESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258851006 807659358 /nfs/dbraw/zinc/65/93/58/807659358.db2.gz BSJHGONZSSGGJH-KSZLIROESA-N 2 2 272.436 3.034 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001170113063 807761557 /nfs/dbraw/zinc/76/15/57/807761557.db2.gz MABZSFUYAYBRIU-YOEHRIQHSA-N 2 2 288.435 3.135 20 0 CGADLP C[C@@H]1CC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001170120677 807766376 /nfs/dbraw/zinc/76/63/76/807766376.db2.gz JGHWDDGXUAFMCJ-DOMZBBRYSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@@H]1CC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001170120678 807766427 /nfs/dbraw/zinc/76/64/27/807766427.db2.gz JGHWDDGXUAFMCJ-IUODEOHRSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@@H]1CC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001170120522 807766570 /nfs/dbraw/zinc/76/65/70/807766570.db2.gz IIBVSGDSDHJEDA-IUODEOHRSA-N 2 2 255.365 3.370 20 0 CGADLP COc1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]c1C ZINC001170454716 807847306 /nfs/dbraw/zinc/84/73/06/807847306.db2.gz VKJRCIUSUQFPBZ-UHFFFAOYSA-N 2 2 291.439 3.462 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914256 807932354 /nfs/dbraw/zinc/93/23/54/807932354.db2.gz ICQJGRCZBBGVJP-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170914256 807932358 /nfs/dbraw/zinc/93/23/58/807932358.db2.gz ICQJGRCZBBGVJP-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NC[C@H]3CCCC[NH2+]3)c12 ZINC001171335091 808031098 /nfs/dbraw/zinc/03/10/98/808031098.db2.gz LFOKSJIAMVBYAF-SECBINFHSA-N 2 2 298.312 3.136 20 0 CGADLP CC(C)[N@H+]([C@@H]1Cc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC001171808744 808146024 /nfs/dbraw/zinc/14/60/24/808146024.db2.gz CQNBGYAUSHIAEY-MRXNPFEDSA-N 2 2 290.426 3.098 20 0 CGADLP CC(C)[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CC[NH+](C)CC1 ZINC001171808744 808146025 /nfs/dbraw/zinc/14/60/25/808146025.db2.gz CQNBGYAUSHIAEY-MRXNPFEDSA-N 2 2 290.426 3.098 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001172107714 808175659 /nfs/dbraw/zinc/17/56/59/808175659.db2.gz GKPILWUPQIRBGH-CRWXNKLISA-N 2 2 272.383 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001172107714 808175661 /nfs/dbraw/zinc/17/56/61/808175661.db2.gz GKPILWUPQIRBGH-CRWXNKLISA-N 2 2 272.383 3.169 20 0 CGADLP CC[NH+](CC)c1ccc(-n2c[nH+]c3cccc(N)c32)cc1 ZINC001212969938 815192187 /nfs/dbraw/zinc/19/21/87/815192187.db2.gz KLPRARDEFDSFAJ-UHFFFAOYSA-N 2 2 280.375 3.454 20 0 CGADLP CC[C@@H](CC(C)C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001172405877 808295241 /nfs/dbraw/zinc/29/52/41/808295241.db2.gz DRFSPEYCYPAVEW-INIZCTEOSA-N 2 2 290.455 3.040 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccc(C)cc2C1 ZINC001172844917 808459607 /nfs/dbraw/zinc/45/96/07/808459607.db2.gz VRJCKHJPGBCVFP-SFHVURJKSA-N 2 2 283.419 3.071 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccc(C)cc2C1 ZINC001172844917 808459608 /nfs/dbraw/zinc/45/96/08/808459608.db2.gz VRJCKHJPGBCVFP-SFHVURJKSA-N 2 2 283.419 3.071 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172849051 808462033 /nfs/dbraw/zinc/46/20/33/808462033.db2.gz IYPDIPJBHMCJBF-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172849051 808462034 /nfs/dbraw/zinc/46/20/34/808462034.db2.gz IYPDIPJBHMCJBF-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001173245009 808553328 /nfs/dbraw/zinc/55/33/28/808553328.db2.gz FXIJWLWFPPVXLI-ZYSHUDEJSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001173245009 808553329 /nfs/dbraw/zinc/55/33/29/808553329.db2.gz FXIJWLWFPPVXLI-ZYSHUDEJSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001173245009 808553331 /nfs/dbraw/zinc/55/33/31/808553331.db2.gz FXIJWLWFPPVXLI-ZYSHUDEJSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001173245009 808553336 /nfs/dbraw/zinc/55/33/36/808553336.db2.gz FXIJWLWFPPVXLI-ZYSHUDEJSA-N 2 2 286.463 3.206 20 0 CGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001275290407 808926183 /nfs/dbraw/zinc/92/61/83/808926183.db2.gz KGJDYXUYCUPKLD-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001275290407 808926191 /nfs/dbraw/zinc/92/61/91/808926191.db2.gz KGJDYXUYCUPKLD-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP c1cn(Cc2cccc(Nc3ccc4[nH+]ccn4c3)c2)c[nH+]1 ZINC001174279389 808927651 /nfs/dbraw/zinc/92/76/51/808927651.db2.gz WYZGAYZNYWWXNG-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP C[C@H](CC[NH+]1CC2(C1)CC[N@H+](C)C2)CC(C)(C)C ZINC001276503734 809013542 /nfs/dbraw/zinc/01/35/42/809013542.db2.gz JOBZJMPUMMPOQS-CQSZACIVSA-N 2 2 252.446 3.086 20 0 CGADLP C[C@H](CC[NH+]1CC2(C1)CC[N@@H+](C)C2)CC(C)(C)C ZINC001276503734 809013549 /nfs/dbraw/zinc/01/35/49/809013549.db2.gz JOBZJMPUMMPOQS-CQSZACIVSA-N 2 2 252.446 3.086 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789469 809030464 /nfs/dbraw/zinc/03/04/64/809030464.db2.gz IUFDCZHUNMNWAJ-SFHVURJKSA-N 2 2 283.419 3.086 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789469 809030471 /nfs/dbraw/zinc/03/04/71/809030471.db2.gz IUFDCZHUNMNWAJ-SFHVURJKSA-N 2 2 283.419 3.086 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789469 809030476 /nfs/dbraw/zinc/03/04/76/809030476.db2.gz IUFDCZHUNMNWAJ-SFHVURJKSA-N 2 2 283.419 3.086 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789469 809030482 /nfs/dbraw/zinc/03/04/82/809030482.db2.gz IUFDCZHUNMNWAJ-SFHVURJKSA-N 2 2 283.419 3.086 20 0 CGADLP Cc1ccc(Nc2ccc(OCC[NH+](C)C)cc2)c(C)[nH+]1 ZINC001176222785 809650277 /nfs/dbraw/zinc/65/02/77/809650277.db2.gz PZFMIZCTZMXVCZ-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP C1=CC[C@@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001179168835 809907252 /nfs/dbraw/zinc/90/72/52/809907252.db2.gz KMLPORWURKEMHH-NVXWUHKLSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001179168835 809907255 /nfs/dbraw/zinc/90/72/55/809907255.db2.gz KMLPORWURKEMHH-NVXWUHKLSA-N 2 2 262.441 3.339 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768725 809943326 /nfs/dbraw/zinc/94/33/26/809943326.db2.gz UKFAJONSMAGOEF-HUUCEWRRSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768725 809943330 /nfs/dbraw/zinc/94/33/30/809943330.db2.gz UKFAJONSMAGOEF-HUUCEWRRSA-N 2 2 252.446 3.134 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001182195939 810098652 /nfs/dbraw/zinc/09/86/52/810098652.db2.gz LOOPLLKVHCIAPE-SJLPKXTDSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182874875 810128300 /nfs/dbraw/zinc/12/83/00/810128300.db2.gz VCJORMWWVDDUAP-WMZOPIPTSA-N 2 2 286.463 3.426 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194280292 811046466 /nfs/dbraw/zinc/04/64/66/811046466.db2.gz TUDBUCXYFLFXAU-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194280292 811046474 /nfs/dbraw/zinc/04/64/74/811046474.db2.gz TUDBUCXYFLFXAU-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[NH+](C)C ZINC001202436456 812093483 /nfs/dbraw/zinc/09/34/83/812093483.db2.gz SGLQTNXZYAVQAN-CWLKWCNXSA-N 2 2 274.452 3.499 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC001203300395 812301827 /nfs/dbraw/zinc/30/18/27/812301827.db2.gz KBQCAXACACJPGL-OAHLLOKOSA-N 2 2 272.348 3.026 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC001203300395 812301834 /nfs/dbraw/zinc/30/18/34/812301834.db2.gz KBQCAXACACJPGL-OAHLLOKOSA-N 2 2 272.348 3.026 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001203328159 812312782 /nfs/dbraw/zinc/31/27/82/812312782.db2.gz QOHLAIXSRNGAHQ-QGZVFWFLSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001203328159 812312791 /nfs/dbraw/zinc/31/27/91/812312791.db2.gz QOHLAIXSRNGAHQ-QGZVFWFLSA-N 2 2 272.436 3.410 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC001203698174 812432213 /nfs/dbraw/zinc/43/22/13/812432213.db2.gz QRXSCSYTRQNOCI-KBPBESRZSA-N 2 2 298.352 3.089 20 0 CGADLP Cc1[nH+]cn(C)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718302 812440045 /nfs/dbraw/zinc/44/00/45/812440045.db2.gz AXRKKBVDXYLBPT-UHFFFAOYSA-N 2 2 270.380 3.462 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204092204 812548040 /nfs/dbraw/zinc/54/80/40/812548040.db2.gz YJNYPCOTNLFWBR-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204092204 812548046 /nfs/dbraw/zinc/54/80/46/812548046.db2.gz YJNYPCOTNLFWBR-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675450 812705765 /nfs/dbraw/zinc/70/57/65/812705765.db2.gz NVOWYWAHWUQUTH-UHFFFAOYSA-N 2 2 260.425 3.170 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675450 812705767 /nfs/dbraw/zinc/70/57/67/812705767.db2.gz NVOWYWAHWUQUTH-UHFFFAOYSA-N 2 2 260.425 3.170 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001204884850 812763040 /nfs/dbraw/zinc/76/30/40/812763040.db2.gz AKWFEWPQKZKNCB-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001204884850 812763043 /nfs/dbraw/zinc/76/30/43/812763043.db2.gz AKWFEWPQKZKNCB-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC001204941312 812789472 /nfs/dbraw/zinc/78/94/72/812789472.db2.gz GPARRGNREPOKSF-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(F)c1 ZINC001204941312 812789478 /nfs/dbraw/zinc/78/94/78/812789478.db2.gz GPARRGNREPOKSF-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205068426 812846909 /nfs/dbraw/zinc/84/69/09/812846909.db2.gz IKWNIRUYHVZJRT-WFASDCNBSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001205068426 812846915 /nfs/dbraw/zinc/84/69/15/812846915.db2.gz IKWNIRUYHVZJRT-WFASDCNBSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205088805 812857125 /nfs/dbraw/zinc/85/71/25/812857125.db2.gz UMMPRXJQUBJTDI-YOEHRIQHSA-N 2 2 281.403 3.060 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccccc2)n1 ZINC001205088805 812857135 /nfs/dbraw/zinc/85/71/35/812857135.db2.gz UMMPRXJQUBJTDI-YOEHRIQHSA-N 2 2 281.403 3.060 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205787031 813078533 /nfs/dbraw/zinc/07/85/33/813078533.db2.gz DNSWXDXVSHZUNY-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205787031 813078542 /nfs/dbraw/zinc/07/85/42/813078542.db2.gz DNSWXDXVSHZUNY-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814477 813092003 /nfs/dbraw/zinc/09/20/03/813092003.db2.gz CFUBVTOONJKXAB-AAEUAGOBSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814477 813092012 /nfs/dbraw/zinc/09/20/12/813092012.db2.gz CFUBVTOONJKXAB-AAEUAGOBSA-N 2 2 291.826 3.381 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205816563 813093368 /nfs/dbraw/zinc/09/33/68/813093368.db2.gz NRPKQLIWHTWJQH-WMLDXEAASA-N 2 2 285.435 3.220 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc21 ZINC001205816563 813093378 /nfs/dbraw/zinc/09/33/78/813093378.db2.gz NRPKQLIWHTWJQH-WMLDXEAASA-N 2 2 285.435 3.220 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205856897 813109565 /nfs/dbraw/zinc/10/95/65/813109565.db2.gz ZGGQKJJSNQHTGF-YOEHRIQHSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205856897 813109567 /nfs/dbraw/zinc/10/95/67/813109567.db2.gz ZGGQKJJSNQHTGF-YOEHRIQHSA-N 2 2 290.451 3.341 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856608 813109706 /nfs/dbraw/zinc/10/97/06/813109706.db2.gz XHMFNNMOGBBUNN-SWLSCSKDSA-N 2 2 278.465 3.276 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856608 813109709 /nfs/dbraw/zinc/10/97/09/813109709.db2.gz XHMFNNMOGBBUNN-SWLSCSKDSA-N 2 2 278.465 3.276 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@@H]1[NH3+] ZINC001205881363 813117684 /nfs/dbraw/zinc/11/76/84/813117684.db2.gz ZHDFWFIJNLBQJS-RISCZKNCSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C[C@@H]1[NH3+] ZINC001205881363 813117687 /nfs/dbraw/zinc/11/76/87/813117687.db2.gz ZHDFWFIJNLBQJS-RISCZKNCSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901774 813124272 /nfs/dbraw/zinc/12/42/72/813124272.db2.gz GERDFLWFOGUZJA-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901774 813124277 /nfs/dbraw/zinc/12/42/77/813124277.db2.gz GERDFLWFOGUZJA-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903508 813126741 /nfs/dbraw/zinc/12/67/41/813126741.db2.gz PTJZLJSCNFYWOY-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903508 813126744 /nfs/dbraw/zinc/12/67/44/813126744.db2.gz PTJZLJSCNFYWOY-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc21 ZINC001205938488 813141511 /nfs/dbraw/zinc/14/15/11/813141511.db2.gz IJSCNZGJPPTJHL-QGZVFWFLSA-N 3 2 299.462 3.001 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc21 ZINC001205938488 813141514 /nfs/dbraw/zinc/14/15/14/813141514.db2.gz IJSCNZGJPPTJHL-QGZVFWFLSA-N 3 2 299.462 3.001 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)cc2c1 ZINC001206263462 813262058 /nfs/dbraw/zinc/26/20/58/813262058.db2.gz YTLPJHDSDIQCFT-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[NH2+]C[C@@H]3C)cc2c1 ZINC001206263462 813262063 /nfs/dbraw/zinc/26/20/63/813262063.db2.gz YTLPJHDSDIQCFT-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cnc1-c1ccccc1 ZINC001206284874 813271212 /nfs/dbraw/zinc/27/12/12/813271212.db2.gz ILOOXOMOAUOFKH-HNNXBMFYSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cnc1-c1ccccc1 ZINC001206284874 813271217 /nfs/dbraw/zinc/27/12/17/813271217.db2.gz ILOOXOMOAUOFKH-HNNXBMFYSA-N 2 2 295.430 3.098 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCCO1 ZINC001207186621 813509869 /nfs/dbraw/zinc/50/98/69/813509869.db2.gz XLYXONXLKZPGOS-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCCO1 ZINC001207186621 813509873 /nfs/dbraw/zinc/50/98/73/813509873.db2.gz XLYXONXLKZPGOS-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1(C)C ZINC001207275423 813530188 /nfs/dbraw/zinc/53/01/88/813530188.db2.gz IVXFQEDCSPVGJG-GVDBMIGSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1(C)C ZINC001207275423 813530193 /nfs/dbraw/zinc/53/01/93/813530193.db2.gz IVXFQEDCSPVGJG-GVDBMIGSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1(C)C ZINC001207275423 813530197 /nfs/dbraw/zinc/53/01/97/813530197.db2.gz IVXFQEDCSPVGJG-GVDBMIGSSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1(C)C ZINC001207275423 813530202 /nfs/dbraw/zinc/53/02/02/813530202.db2.gz IVXFQEDCSPVGJG-GVDBMIGSSA-N 2 2 276.468 3.395 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775291 /nfs/dbraw/zinc/77/52/91/813775291.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775297 /nfs/dbraw/zinc/77/52/97/813775297.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775304 /nfs/dbraw/zinc/77/53/04/813775304.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775308 /nfs/dbraw/zinc/77/53/08/813775308.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP CC[N@H+](CCCc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001208839499 813862335 /nfs/dbraw/zinc/86/23/35/813862335.db2.gz NZCGFQZVYKFHLL-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP CC[N@@H+](CCCc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001208839499 813862341 /nfs/dbraw/zinc/86/23/41/813862341.db2.gz NZCGFQZVYKFHLL-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP C[NH+]1CCC([N@H+](C[C@@H]2CCC=CO2)C2CCCC2)CC1 ZINC001208886073 813880945 /nfs/dbraw/zinc/88/09/45/813880945.db2.gz TWOHQJZGKCOTGS-KRWDZBQOSA-N 2 2 278.440 3.018 20 0 CGADLP C[NH+]1CCC([N@@H+](C[C@@H]2CCC=CO2)C2CCCC2)CC1 ZINC001208886073 813880953 /nfs/dbraw/zinc/88/09/53/813880953.db2.gz TWOHQJZGKCOTGS-KRWDZBQOSA-N 2 2 278.440 3.018 20 0 CGADLP c1cc(-c2ccc3c(c2)C[NH2+]C3)cc(N2CCCCC2)[nH+]1 ZINC001242676513 823096075 /nfs/dbraw/zinc/09/60/75/823096075.db2.gz RSTWIQAQHBXXII-UHFFFAOYSA-N 2 2 279.387 3.342 20 0 CGADLP c1cn2c(cccc2C2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001242694872 823102804 /nfs/dbraw/zinc/10/28/04/823102804.db2.gz NXYBMFSXDFUYFC-HNNXBMFYSA-N 2 2 267.376 3.366 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(Cl)cc1C ZINC001209634991 814102398 /nfs/dbraw/zinc/10/23/98/814102398.db2.gz ABIVPITZDQGAIY-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(Cl)cc1C ZINC001209634991 814102404 /nfs/dbraw/zinc/10/24/04/814102404.db2.gz ABIVPITZDQGAIY-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)Cc1c[nH+]ccc1N ZINC001209733371 814125216 /nfs/dbraw/zinc/12/52/16/814125216.db2.gz UWOBDQKIBZWOFY-UHFFFAOYSA-N 2 2 275.783 3.170 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)Cc1c[nH+]ccc1N ZINC001209733371 814125221 /nfs/dbraw/zinc/12/52/21/814125221.db2.gz UWOBDQKIBZWOFY-UHFFFAOYSA-N 2 2 275.783 3.170 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474950 814479224 /nfs/dbraw/zinc/47/92/24/814479224.db2.gz IWLMQMXKKGYHGN-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210474950 814479227 /nfs/dbraw/zinc/47/92/27/814479227.db2.gz IWLMQMXKKGYHGN-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001211135865 814758414 /nfs/dbraw/zinc/75/84/14/814758414.db2.gz HIIXPHHYSKVARA-UHFFFAOYSA-N 2 2 282.391 3.145 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222142238 816359716 /nfs/dbraw/zinc/35/97/16/816359716.db2.gz YMVKZOBPSWKWNN-CQSZACIVSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222142238 816359720 /nfs/dbraw/zinc/35/97/20/816359720.db2.gz YMVKZOBPSWKWNN-CQSZACIVSA-N 2 2 284.856 3.285 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001222272252 816392605 /nfs/dbraw/zinc/39/26/05/816392605.db2.gz OYJQRSNLYKFWCS-OAHLLOKOSA-N 2 2 296.505 3.436 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001222272252 816392613 /nfs/dbraw/zinc/39/26/13/816392613.db2.gz OYJQRSNLYKFWCS-OAHLLOKOSA-N 2 2 296.505 3.436 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222283194 816394622 /nfs/dbraw/zinc/39/46/22/816394622.db2.gz UYYDHEYXXVLZNA-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222283194 816394627 /nfs/dbraw/zinc/39/46/27/816394627.db2.gz UYYDHEYXXVLZNA-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282210 816395054 /nfs/dbraw/zinc/39/50/54/816395054.db2.gz GQLZXMYTQYXWRS-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282210 816395059 /nfs/dbraw/zinc/39/50/59/816395059.db2.gz GQLZXMYTQYXWRS-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292498 816399012 /nfs/dbraw/zinc/39/90/12/816399012.db2.gz CFAFTWGFCSDAFB-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc21 ZINC001222344883 816414321 /nfs/dbraw/zinc/41/43/21/816414321.db2.gz FUHJCPNQYINMKH-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc21 ZINC001222344883 816414325 /nfs/dbraw/zinc/41/43/25/816414325.db2.gz FUHJCPNQYINMKH-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222346389 816414936 /nfs/dbraw/zinc/41/49/36/816414936.db2.gz RDVMSLHVQHHSKC-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222346389 816414939 /nfs/dbraw/zinc/41/49/39/816414939.db2.gz RDVMSLHVQHHSKC-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP Cc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001222380244 816423218 /nfs/dbraw/zinc/42/32/18/816423218.db2.gz WUCJUIINMHLXNR-UHFFFAOYSA-N 2 2 292.426 3.457 20 0 CGADLP c1cc2c(c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c1)CCC2 ZINC001222400619 816434173 /nfs/dbraw/zinc/43/41/73/816434173.db2.gz BJGWUYCRRILIKU-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc2c(c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c1)CCC2 ZINC001222400619 816434176 /nfs/dbraw/zinc/43/41/76/816434176.db2.gz BJGWUYCRRILIKU-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP COc1cc(C)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242980457 823197676 /nfs/dbraw/zinc/19/76/76/823197676.db2.gz HKBBNLPDRXBTFA-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242980457 823197677 /nfs/dbraw/zinc/19/76/77/823197677.db2.gz HKBBNLPDRXBTFA-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(COC2CCC([NH+](C)C)CC2)cc(C)[nH+]1 ZINC001223418909 816626141 /nfs/dbraw/zinc/62/61/41/816626141.db2.gz CQVBWWOHGZYRPZ-UHFFFAOYSA-N 2 2 262.397 3.088 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Oc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001225296442 817000215 /nfs/dbraw/zinc/00/02/15/817000215.db2.gz VNUJQMSYVINBFF-UHOSZYNNSA-N 2 2 294.398 3.371 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Oc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001225296442 817000220 /nfs/dbraw/zinc/00/02/20/817000220.db2.gz VNUJQMSYVINBFF-UHOSZYNNSA-N 2 2 294.398 3.371 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC001243107171 823250049 /nfs/dbraw/zinc/25/00/49/823250049.db2.gz SMRHCAJKNGNXQY-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC001243107171 823250052 /nfs/dbraw/zinc/25/00/52/823250052.db2.gz SMRHCAJKNGNXQY-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP COc1cc(C)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001243245529 823311276 /nfs/dbraw/zinc/31/12/76/823311276.db2.gz OPXJOGRIYTZUPJ-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001243245529 823311281 /nfs/dbraw/zinc/31/12/81/823311281.db2.gz OPXJOGRIYTZUPJ-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001231877978 818197770 /nfs/dbraw/zinc/19/77/70/818197770.db2.gz CCVHFIRIRLPIHJ-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001231877978 818197776 /nfs/dbraw/zinc/19/77/76/818197776.db2.gz CCVHFIRIRLPIHJ-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001231877978 818197779 /nfs/dbraw/zinc/19/77/79/818197779.db2.gz CCVHFIRIRLPIHJ-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001231877978 818197785 /nfs/dbraw/zinc/19/77/85/818197785.db2.gz CCVHFIRIRLPIHJ-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccnc2c(F)cccc12 ZINC001232214019 818281549 /nfs/dbraw/zinc/28/15/49/818281549.db2.gz MNHITCPCFRJGAL-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccnc2c(F)cccc12 ZINC001232214019 818281557 /nfs/dbraw/zinc/28/15/57/818281557.db2.gz MNHITCPCFRJGAL-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccccc1C(F)(F)F ZINC001235006965 818978862 /nfs/dbraw/zinc/97/88/62/818978862.db2.gz IDRIRWHPXKKEHF-UHFFFAOYSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccccc1C(F)(F)F ZINC001235006965 818978868 /nfs/dbraw/zinc/97/88/68/818978868.db2.gz IDRIRWHPXKKEHF-UHFFFAOYSA-N 2 2 298.352 3.061 20 0 CGADLP c1ccc(Oc2ccccc2C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023694 818980473 /nfs/dbraw/zinc/98/04/73/818980473.db2.gz FQCLQZDNFSWKIS-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP c1ccc(Oc2ccccc2C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023694 818980476 /nfs/dbraw/zinc/98/04/76/818980476.db2.gz FQCLQZDNFSWKIS-UHFFFAOYSA-N 2 2 294.398 3.274 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047834 818992489 /nfs/dbraw/zinc/99/24/89/818992489.db2.gz WVPCWJHJCNTFIF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235047834 818992494 /nfs/dbraw/zinc/99/24/94/818992494.db2.gz WVPCWJHJCNTFIF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)s1 ZINC001235169271 819022985 /nfs/dbraw/zinc/02/29/85/819022985.db2.gz XAWINIZPPWQCKD-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)s1 ZINC001235169271 819022990 /nfs/dbraw/zinc/02/29/90/819022990.db2.gz XAWINIZPPWQCKD-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187913 819028585 /nfs/dbraw/zinc/02/85/85/819028585.db2.gz HNGFCUUWDFAEHJ-FXAWDEMLSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187913 819028593 /nfs/dbraw/zinc/02/85/93/819028593.db2.gz HNGFCUUWDFAEHJ-FXAWDEMLSA-N 2 2 292.426 3.456 20 0 CGADLP Oc1cc(Cl)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189541 819030241 /nfs/dbraw/zinc/03/02/41/819030241.db2.gz LRAXDGXFBUEXCA-UHFFFAOYSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1cc(Cl)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235189541 819030246 /nfs/dbraw/zinc/03/02/46/819030246.db2.gz LRAXDGXFBUEXCA-UHFFFAOYSA-N 2 2 294.826 3.154 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)cc1 ZINC001235196807 819033659 /nfs/dbraw/zinc/03/36/59/819033659.db2.gz DKNCAALYRDTVCP-LPHOPBHVSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+][C@H]3C2)cc1 ZINC001235196807 819033662 /nfs/dbraw/zinc/03/36/62/819033662.db2.gz DKNCAALYRDTVCP-LPHOPBHVSA-N 2 2 278.399 3.147 20 0 CGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235254363 819051506 /nfs/dbraw/zinc/05/15/06/819051506.db2.gz BKUZKEWDEHCSRR-IEBWSBKVSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235254363 819051510 /nfs/dbraw/zinc/05/15/10/819051510.db2.gz BKUZKEWDEHCSRR-IEBWSBKVSA-N 2 2 296.389 3.286 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257505 819053377 /nfs/dbraw/zinc/05/33/77/819053377.db2.gz IJQTYVWAFAUPLK-GDBMZVCRSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257505 819053381 /nfs/dbraw/zinc/05/33/81/819053381.db2.gz IJQTYVWAFAUPLK-GDBMZVCRSA-N 2 2 284.428 3.209 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235537735 819119141 /nfs/dbraw/zinc/11/91/41/819119141.db2.gz LCIVOMFIEJCLLD-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235537735 819119144 /nfs/dbraw/zinc/11/91/44/819119144.db2.gz LCIVOMFIEJCLLD-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235537735 819119146 /nfs/dbraw/zinc/11/91/46/819119146.db2.gz LCIVOMFIEJCLLD-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235537735 819119149 /nfs/dbraw/zinc/11/91/49/819119149.db2.gz LCIVOMFIEJCLLD-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001235918868 819219983 /nfs/dbraw/zinc/21/99/83/819219983.db2.gz MZPRONWMAWXRIY-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC001235918868 819219988 /nfs/dbraw/zinc/21/99/88/819219988.db2.gz MZPRONWMAWXRIY-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(F)cc1Cl ZINC001235925616 819225312 /nfs/dbraw/zinc/22/53/12/819225312.db2.gz MBJFSORZYLAJOW-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]2CC[NH3+])c(F)cc1Cl ZINC001235925616 819225317 /nfs/dbraw/zinc/22/53/17/819225317.db2.gz MBJFSORZYLAJOW-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+](CC[NH3+])C(C)C ZINC001235948273 819237425 /nfs/dbraw/zinc/23/74/25/819237425.db2.gz MTNZLMCZYMVHDO-UHFFFAOYSA-N 2 2 286.419 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+](CC[NH3+])C(C)C ZINC001235948273 819237430 /nfs/dbraw/zinc/23/74/30/819237430.db2.gz MTNZLMCZYMVHDO-UHFFFAOYSA-N 2 2 286.419 3.408 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001236003611 819268884 /nfs/dbraw/zinc/26/88/84/819268884.db2.gz AFKPBCNPDGTIPZ-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cc(C)ccc12)[C@H]1CCC[NH2+]C1 ZINC001236003611 819268891 /nfs/dbraw/zinc/26/88/91/819268891.db2.gz AFKPBCNPDGTIPZ-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008713 819273025 /nfs/dbraw/zinc/27/30/25/819273025.db2.gz URXCJTQWLCOMPG-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008713 819273032 /nfs/dbraw/zinc/27/30/32/819273032.db2.gz URXCJTQWLCOMPG-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cn1 ZINC001236041169 819280960 /nfs/dbraw/zinc/28/09/60/819280960.db2.gz JGUMUPZJFZGEPA-RTBURBONSA-N 2 2 295.430 3.097 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cn1 ZINC001236041169 819280967 /nfs/dbraw/zinc/28/09/67/819280967.db2.gz JGUMUPZJFZGEPA-RTBURBONSA-N 2 2 295.430 3.097 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3sccc32)C1 ZINC001236051832 819289212 /nfs/dbraw/zinc/28/92/12/819289212.db2.gz NRUJBNHYKHJMPT-AAEUAGOBSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3sccc32)C1 ZINC001236051832 819289218 /nfs/dbraw/zinc/28/92/18/819289218.db2.gz NRUJBNHYKHJMPT-AAEUAGOBSA-N 2 2 260.406 3.070 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236058788 819292983 /nfs/dbraw/zinc/29/29/83/819292983.db2.gz BKJXCKSIWCPLPZ-WMZOPIPTSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236058788 819292993 /nfs/dbraw/zinc/29/29/93/819292993.db2.gz BKJXCKSIWCPLPZ-WMZOPIPTSA-N 2 2 272.436 3.036 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001236142636 819344095 /nfs/dbraw/zinc/34/40/95/819344095.db2.gz ZCKJUSNXORAVJQ-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001236142636 819344105 /nfs/dbraw/zinc/34/41/05/819344105.db2.gz ZCKJUSNXORAVJQ-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236199761 819366455 /nfs/dbraw/zinc/36/64/55/819366455.db2.gz FVXYLVNQHYTBJQ-SFHVURJKSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236199761 819366460 /nfs/dbraw/zinc/36/64/60/819366460.db2.gz FVXYLVNQHYTBJQ-SFHVURJKSA-N 2 2 290.451 3.439 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)cc21 ZINC001236205177 819367424 /nfs/dbraw/zinc/36/74/24/819367424.db2.gz CKIHFUKPAPUNCX-SFHVURJKSA-N 2 2 285.435 3.235 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)cc21 ZINC001236205177 819367431 /nfs/dbraw/zinc/36/74/31/819367431.db2.gz CKIHFUKPAPUNCX-SFHVURJKSA-N 2 2 285.435 3.235 20 0 CGADLP CSc1cccc(Cl)c1C[NH+]1CCC[NH2+]CCC1 ZINC001236241497 819401298 /nfs/dbraw/zinc/40/12/98/819401298.db2.gz ZMHMFIMDEZAPDQ-UHFFFAOYSA-N 2 2 284.856 3.247 20 0 CGADLP CCC[N@H+](Cc1ccc2sc(C)nc2c1)[C@H]1CC[NH2+]C1 ZINC001236325089 819427177 /nfs/dbraw/zinc/42/71/77/819427177.db2.gz YXXFHPNFNZVUEH-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@@H+](Cc1ccc2sc(C)nc2c1)[C@H]1CC[NH2+]C1 ZINC001236325089 819427180 /nfs/dbraw/zinc/42/71/80/819427180.db2.gz YXXFHPNFNZVUEH-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CC[C@@H](C)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236391937 819447853 /nfs/dbraw/zinc/44/78/53/819447853.db2.gz IQJZHRNWAHMJJQ-RHSMWYFYSA-N 2 2 278.415 3.426 20 0 CGADLP CC[C@@H](C)C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236391937 819447855 /nfs/dbraw/zinc/44/78/55/819447855.db2.gz IQJZHRNWAHMJJQ-RHSMWYFYSA-N 2 2 278.415 3.426 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395852 819449767 /nfs/dbraw/zinc/44/97/67/819449767.db2.gz UECJXJXYEJWLKR-UKPHBRMFSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395852 819449773 /nfs/dbraw/zinc/44/97/73/819449773.db2.gz UECJXJXYEJWLKR-UKPHBRMFSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419949 819466243 /nfs/dbraw/zinc/46/62/43/819466243.db2.gz MYPXGIJBBYVGGK-SUMWQHHRSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419949 819466246 /nfs/dbraw/zinc/46/62/46/819466246.db2.gz MYPXGIJBBYVGGK-SUMWQHHRSA-N 2 2 258.409 3.266 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)ccc1OC(C)C ZINC001236421550 819468010 /nfs/dbraw/zinc/46/80/10/819468010.db2.gz UNILIHIUYAYMOE-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)ccc1OC(C)C ZINC001236421550 819468013 /nfs/dbraw/zinc/46/80/13/819468013.db2.gz UNILIHIUYAYMOE-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001236422029 819469643 /nfs/dbraw/zinc/46/96/43/819469643.db2.gz XTELCBATRLXJAL-PXAZEXFGSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001236422029 819469647 /nfs/dbraw/zinc/46/96/47/819469647.db2.gz XTELCBATRLXJAL-PXAZEXFGSA-N 2 2 272.367 3.291 20 0 CGADLP CCC(CC)C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438254 819479646 /nfs/dbraw/zinc/47/96/46/819479646.db2.gz UKKDRUAVOBSLFG-QGZVFWFLSA-N 2 2 275.440 3.072 20 0 CGADLP CCC(CC)C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236438254 819479649 /nfs/dbraw/zinc/47/96/49/819479649.db2.gz UKKDRUAVOBSLFG-QGZVFWFLSA-N 2 2 275.440 3.072 20 0 CGADLP c1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236444234 819481667 /nfs/dbraw/zinc/48/16/67/819481667.db2.gz YSOQARFFVXJZAT-MRXNPFEDSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+](C[C@H]2CCCC[NH2+]2)C2CCC2)cc1 ZINC001236444234 819481671 /nfs/dbraw/zinc/48/16/71/819481671.db2.gz YSOQARFFVXJZAT-MRXNPFEDSA-N 2 2 258.409 3.183 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236468052 819488501 /nfs/dbraw/zinc/48/85/01/819488501.db2.gz DWSKASAIMDTNLV-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236468052 819488505 /nfs/dbraw/zinc/48/85/05/819488505.db2.gz DWSKASAIMDTNLV-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP c1cncc(C[N@@H+](CC2CCCCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236479438 819495628 /nfs/dbraw/zinc/49/56/28/819495628.db2.gz SWCPLAVCNMBNOL-SFHVURJKSA-N 2 2 287.451 3.216 20 0 CGADLP c1cncc(C[N@H+](CC2CCCCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236479438 819495632 /nfs/dbraw/zinc/49/56/32/819495632.db2.gz SWCPLAVCNMBNOL-SFHVURJKSA-N 2 2 287.451 3.216 20 0 CGADLP CC(C)[N@H+](Cc1ccc2occc2c1)[C@@H]1CC[NH2+]C1 ZINC001236530133 819521111 /nfs/dbraw/zinc/52/11/11/819521111.db2.gz PQUZDVMIFICHFP-OAHLLOKOSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2occc2c1)[C@@H]1CC[NH2+]C1 ZINC001236530133 819521114 /nfs/dbraw/zinc/52/11/14/819521114.db2.gz PQUZDVMIFICHFP-OAHLLOKOSA-N 2 2 258.365 3.005 20 0 CGADLP CCC[N@@H+](Cc1c(F)ccc(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236833822 819613854 /nfs/dbraw/zinc/61/38/54/819613854.db2.gz CNSOPEQJJCMLHH-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+](Cc1c(F)ccc(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236833822 819613856 /nfs/dbraw/zinc/61/38/56/819613856.db2.gz CNSOPEQJJCMLHH-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP FC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236914118 819636597 /nfs/dbraw/zinc/63/65/97/819636597.db2.gz QWYXXELWNNRDOW-UHFFFAOYSA-N 2 2 293.773 3.460 20 0 CGADLP COCCC[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC001236947203 819638011 /nfs/dbraw/zinc/63/80/11/819638011.db2.gz ORPXSAPMCFENRX-IBGZPJMESA-N 2 2 298.430 3.040 20 0 CGADLP COCCC[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC001236947203 819638015 /nfs/dbraw/zinc/63/80/15/819638015.db2.gz ORPXSAPMCFENRX-IBGZPJMESA-N 2 2 298.430 3.040 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1cccc(F)c1 ZINC001237020704 819645117 /nfs/dbraw/zinc/64/51/17/819645117.db2.gz WFBOCRDYNWESDQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CCCc1cccc(F)c1 ZINC001237020704 819645121 /nfs/dbraw/zinc/64/51/21/819645121.db2.gz WFBOCRDYNWESDQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC001237019585 819645682 /nfs/dbraw/zinc/64/56/82/819645682.db2.gz HQSPGFRKXQUXAQ-KRWDZBQOSA-N 2 2 291.398 3.054 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc2[nH]ccc21 ZINC001237019585 819645687 /nfs/dbraw/zinc/64/56/87/819645687.db2.gz HQSPGFRKXQUXAQ-KRWDZBQOSA-N 2 2 291.398 3.054 20 0 CGADLP C[NH+]1CCC([N@H+](CC2OC=CC2=S)C2CCCC2)CC1 ZINC001237186255 819691516 /nfs/dbraw/zinc/69/15/16/819691516.db2.gz JUSSGQLQXVURKV-UHFFFAOYSA-N 2 2 294.464 3.407 20 0 CGADLP C[NH+]1CCC([N@@H+](CC2OC=CC2=S)C2CCCC2)CC1 ZINC001237186255 819691519 /nfs/dbraw/zinc/69/15/19/819691519.db2.gz JUSSGQLQXVURKV-UHFFFAOYSA-N 2 2 294.464 3.407 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237727622 819822160 /nfs/dbraw/zinc/82/21/60/819822160.db2.gz CQHNPBZQPSJXNM-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237727622 819822168 /nfs/dbraw/zinc/82/21/68/819822168.db2.gz CQHNPBZQPSJXNM-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238102492 819934108 /nfs/dbraw/zinc/93/41/08/819934108.db2.gz DLSPDMQBAAJQOM-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238102492 819934113 /nfs/dbraw/zinc/93/41/13/819934113.db2.gz DLSPDMQBAAJQOM-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP C[N@@H+](Cc1ccsc1)Cc1cccc2c[nH+]cn21 ZINC001238118687 819939218 /nfs/dbraw/zinc/93/92/18/819939218.db2.gz KZQATUOATRZXSC-UHFFFAOYSA-N 2 2 257.362 3.028 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ncc1Cl ZINC001238423141 819991847 /nfs/dbraw/zinc/99/18/47/819991847.db2.gz WVPNQZOXICWEBH-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ncc1Cl ZINC001238423141 819991853 /nfs/dbraw/zinc/99/18/53/819991853.db2.gz WVPNQZOXICWEBH-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517300 820033497 /nfs/dbraw/zinc/03/34/97/820033497.db2.gz STJRHYTYQBXOPO-GOSISDBHSA-N 2 2 288.410 3.231 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517300 820033507 /nfs/dbraw/zinc/03/35/07/820033507.db2.gz STJRHYTYQBXOPO-GOSISDBHSA-N 2 2 288.410 3.231 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517300 820033516 /nfs/dbraw/zinc/03/35/16/820033516.db2.gz STJRHYTYQBXOPO-GOSISDBHSA-N 2 2 288.410 3.231 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(C4CC4)c3)C2)C1 ZINC001238517300 820033530 /nfs/dbraw/zinc/03/35/30/820033530.db2.gz STJRHYTYQBXOPO-GOSISDBHSA-N 2 2 288.410 3.231 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc(F)cc(F)c2)C1 ZINC001239658063 820495434 /nfs/dbraw/zinc/49/54/34/820495434.db2.gz ZVSVYSIAIUBDTJ-MRXNPFEDSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc(F)cc(F)c2)C1 ZINC001239658063 820495436 /nfs/dbraw/zinc/49/54/36/820495436.db2.gz ZVSVYSIAIUBDTJ-MRXNPFEDSA-N 2 2 288.341 3.165 20 0 CGADLP CCc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239745884 820568471 /nfs/dbraw/zinc/56/84/71/820568471.db2.gz WAXQJCGKHIOFMQ-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239745884 820568477 /nfs/dbraw/zinc/56/84/77/820568477.db2.gz WAXQJCGKHIOFMQ-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP Cc1ccc(F)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239966341 820745453 /nfs/dbraw/zinc/74/54/53/820745453.db2.gz YHQZLXJVJZANBZ-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239966341 820745459 /nfs/dbraw/zinc/74/54/59/820745459.db2.gz YHQZLXJVJZANBZ-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP c1cn2cc(-c3ccc([C@H]4CCC[NH2+]4)cc3)ccc2[nH+]1 ZINC001240219774 820894684 /nfs/dbraw/zinc/89/46/84/820894684.db2.gz VDGJRUDYPJJMAW-MRXNPFEDSA-N 2 2 263.344 3.426 20 0 CGADLP [NH3+]C1(c2ccccc2-c2ccc3[nH+]ccn3c2)CCC1 ZINC001240219000 820894826 /nfs/dbraw/zinc/89/48/26/820894826.db2.gz UFACJBNDXJSGHQ-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(F)c1 ZINC001241355203 821756910 /nfs/dbraw/zinc/75/69/10/821756910.db2.gz ISHCENYQEPGYOG-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(F)c1 ZINC001241355203 821756917 /nfs/dbraw/zinc/75/69/17/821756917.db2.gz ISHCENYQEPGYOG-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP c1cc2c[nH+]c(-c3cccc(C[NH+]4CCOCC4)c3)cc2[nH]1 ZINC001241814535 822158804 /nfs/dbraw/zinc/15/88/04/822158804.db2.gz OTWMFBYMGBWZQC-UHFFFAOYSA-N 2 2 293.370 3.062 20 0 CGADLP Cc1cn2c(cccc2-c2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001242149095 822894502 /nfs/dbraw/zinc/89/45/02/822894502.db2.gz HOLUAOQPGUFNGR-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP C[C@H](C[NH2+]CCCC(F)(F)F)[NH+]1CCC(C)CC1 ZINC001335442590 936146062 /nfs/dbraw/zinc/14/60/62/936146062.db2.gz AMHDXICVHORIMT-GFCCVEGCSA-N 2 2 266.351 3.039 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001356049858 937151625 /nfs/dbraw/zinc/15/16/25/937151625.db2.gz OSEOLYVXYGVKNC-GCUJQHFUSA-N 2 2 276.811 3.200 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CC)c2ccccc2)C1 ZINC001308475849 928528757 /nfs/dbraw/zinc/52/87/57/928528757.db2.gz WGBICBJWRGAGML-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC)c2ccccc2)C1 ZINC001308475849 928528766 /nfs/dbraw/zinc/52/87/66/928528766.db2.gz WGBICBJWRGAGML-RDJZCZTQSA-N 2 2 260.425 3.254 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001211137339 932011724 /nfs/dbraw/zinc/01/17/24/932011724.db2.gz QWNVNARYDPVTBQ-UHFFFAOYSA-N 2 2 292.386 3.394 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC001460967689 937556487 /nfs/dbraw/zinc/55/64/87/937556487.db2.gz ZHOABDQHVSVLNX-UHFFFAOYSA-N 2 2 291.345 3.078 20 0 CGADLP CCc1ccc2c(c1)CC[N@@H+](CCC[NH+](CC)CC)C2 ZINC001460978088 937557312 /nfs/dbraw/zinc/55/73/12/937557312.db2.gz SQBBAJBCFAVJST-UHFFFAOYSA-N 2 2 274.452 3.339 20 0 CGADLP CCc1ccc2c(c1)CC[N@H+](CCC[NH+](CC)CC)C2 ZINC001460978088 937557315 /nfs/dbraw/zinc/55/73/15/937557315.db2.gz SQBBAJBCFAVJST-UHFFFAOYSA-N 2 2 274.452 3.339 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC001461173933 937567632 /nfs/dbraw/zinc/56/76/32/937567632.db2.gz YMHHSQRLZVSCGM-CQSZACIVSA-N 2 2 295.496 3.477 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC001461173933 937567634 /nfs/dbraw/zinc/56/76/34/937567634.db2.gz YMHHSQRLZVSCGM-CQSZACIVSA-N 2 2 295.496 3.477 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001461179634 937568114 /nfs/dbraw/zinc/56/81/14/937568114.db2.gz MLEATBYSPGMBHU-CVEARBPZSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001461179634 937568116 /nfs/dbraw/zinc/56/81/16/937568116.db2.gz MLEATBYSPGMBHU-CVEARBPZSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001461179638 937568153 /nfs/dbraw/zinc/56/81/53/937568153.db2.gz MLEATBYSPGMBHU-HOTGVXAUSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001461179638 937568154 /nfs/dbraw/zinc/56/81/54/937568154.db2.gz MLEATBYSPGMBHU-HOTGVXAUSA-N 2 2 252.446 3.300 20 0 CGADLP CCc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(CC)[nH+]1 ZINC001306917390 932895508 /nfs/dbraw/zinc/89/55/08/932895508.db2.gz QECADLDVTIBLHL-AWEZNQCLSA-N 2 2 290.455 3.278 20 0 CGADLP CCc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(CC)[nH+]1 ZINC001306917390 932895511 /nfs/dbraw/zinc/89/55/11/932895511.db2.gz QECADLDVTIBLHL-AWEZNQCLSA-N 2 2 290.455 3.278 20 0 CGADLP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001306946283 932900537 /nfs/dbraw/zinc/90/05/37/932900537.db2.gz LIYZQMISJLMOQY-ZDUSSCGKSA-N 2 2 276.428 3.195 20 0 CGADLP CCc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC001307166345 932924982 /nfs/dbraw/zinc/92/49/82/932924982.db2.gz RQPCKSSARMVLFL-OAHLLOKOSA-N 2 2 288.439 3.166 20 0 CGADLP CCc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC001307166345 932924988 /nfs/dbraw/zinc/92/49/88/932924988.db2.gz RQPCKSSARMVLFL-OAHLLOKOSA-N 2 2 288.439 3.166 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001462444887 937641917 /nfs/dbraw/zinc/64/19/17/937641917.db2.gz QIODOCTUKODSGQ-DZKIICNBSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001462444887 937641918 /nfs/dbraw/zinc/64/19/18/937641918.db2.gz QIODOCTUKODSGQ-DZKIICNBSA-N 2 2 252.446 3.418 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001308166852 933063450 /nfs/dbraw/zinc/06/34/50/933063450.db2.gz MEYWNUNKMHKWSK-UHFFFAOYSA-N 2 2 291.345 3.078 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001308264649 933084346 /nfs/dbraw/zinc/08/43/46/933084346.db2.gz QEOOMNLVNLCMAG-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001308264649 933084351 /nfs/dbraw/zinc/08/43/51/933084351.db2.gz QEOOMNLVNLCMAG-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001308463559 933114541 /nfs/dbraw/zinc/11/45/41/933114541.db2.gz FOORZBJENAEGPF-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789101 933176235 /nfs/dbraw/zinc/17/62/35/933176235.db2.gz RESWVIAQTXBLGJ-HPWWWVCSSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789101 933176239 /nfs/dbraw/zinc/17/62/39/933176239.db2.gz RESWVIAQTXBLGJ-HPWWWVCSSA-N 2 2 284.447 3.453 20 0 CGADLP C1[C@@H]2CCCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308840892 933188202 /nfs/dbraw/zinc/18/82/02/933188202.db2.gz PANCQWGCCVRNQO-QUSNUVHPSA-N 2 2 262.441 3.172 20 0 CGADLP C1[C@@H]2CCCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308840892 933188204 /nfs/dbraw/zinc/18/82/04/933188204.db2.gz PANCQWGCCVRNQO-QUSNUVHPSA-N 2 2 262.441 3.172 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001308864824 933193215 /nfs/dbraw/zinc/19/32/15/933193215.db2.gz LYERYUDNRGAHHU-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001321046342 934142486 /nfs/dbraw/zinc/14/24/86/934142486.db2.gz IELMUUHCARSQMH-QAPCUYQASA-N 2 2 295.430 3.362 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001321046342 934142488 /nfs/dbraw/zinc/14/24/88/934142488.db2.gz IELMUUHCARSQMH-QAPCUYQASA-N 2 2 295.430 3.362 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366016 934492890 /nfs/dbraw/zinc/49/28/90/934492890.db2.gz UUIMIMOTEHAWJB-GDBMZVCRSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366016 934492893 /nfs/dbraw/zinc/49/28/93/934492893.db2.gz UUIMIMOTEHAWJB-GDBMZVCRSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366016 934492900 /nfs/dbraw/zinc/49/29/00/934492900.db2.gz UUIMIMOTEHAWJB-GDBMZVCRSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C2CC2)C[C@H]1C ZINC001324366016 934492906 /nfs/dbraw/zinc/49/29/06/934492906.db2.gz UUIMIMOTEHAWJB-GDBMZVCRSA-N 2 2 275.440 3.128 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001333021374 935505427 /nfs/dbraw/zinc/50/54/27/935505427.db2.gz FJCAEDCQFYWRDZ-OAHLLOKOSA-N 2 2 287.451 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001333021374 935505429 /nfs/dbraw/zinc/50/54/29/935505429.db2.gz FJCAEDCQFYWRDZ-OAHLLOKOSA-N 2 2 287.451 3.255 20 0 CGADLP COCCCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCC1 ZINC001333850976 936071925 /nfs/dbraw/zinc/07/19/25/936071925.db2.gz RBIFNJKVYGKWRO-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP COCCCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCC1 ZINC001333850976 936071929 /nfs/dbraw/zinc/07/19/29/936071929.db2.gz RBIFNJKVYGKWRO-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC1(C)CC1 ZINC001334527643 936105240 /nfs/dbraw/zinc/10/52/40/936105240.db2.gz QXQNZHFJZPEKNS-UHFFFAOYSA-N 2 2 284.363 3.095 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC001473935760 937831529 /nfs/dbraw/zinc/83/15/29/937831529.db2.gz OHTLZGYXKJZLHD-GJZGRUSLSA-N 2 2 294.439 3.136 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@H]1Cc3ccccc3[C@@H]1[NH3+])CCC2 ZINC001551377934 938180596 /nfs/dbraw/zinc/18/05/96/938180596.db2.gz KTOFKTOXUUWONH-PMPSAXMXSA-N 2 2 299.443 3.043 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC001560365246 938255583 /nfs/dbraw/zinc/25/55/83/938255583.db2.gz QVYGBZYUKONDEW-GJZGRUSLSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1c(Cl)ccc(C[NH2+]CCC[NH+]2CCC2)c1Cl ZINC001560428037 938258061 /nfs/dbraw/zinc/25/80/61/938258061.db2.gz YKPIDDQHWXVHCU-UHFFFAOYSA-N 2 2 287.234 3.487 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001560616030 938265682 /nfs/dbraw/zinc/26/56/82/938265682.db2.gz KZUZWNSISYVMIH-UONOGXRCSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001560616030 938265684 /nfs/dbraw/zinc/26/56/84/938265684.db2.gz KZUZWNSISYVMIH-UONOGXRCSA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929318 938284559 /nfs/dbraw/zinc/28/45/59/938284559.db2.gz VHOBRVTVGKYLLT-OFQRWUPVSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929318 938284561 /nfs/dbraw/zinc/28/45/61/938284561.db2.gz VHOBRVTVGKYLLT-OFQRWUPVSA-N 2 2 252.446 3.418 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C2 ZINC001560960976 938286446 /nfs/dbraw/zinc/28/64/46/938286446.db2.gz HPGODAQDFNIXNQ-OXJNMPFZSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC001560960976 938286448 /nfs/dbraw/zinc/28/64/48/938286448.db2.gz HPGODAQDFNIXNQ-OXJNMPFZSA-N 2 2 298.474 3.398 20 0 CGADLP CC1(C)C[C@@]1(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560573237 960609259 /nfs/dbraw/zinc/60/92/59/960609259.db2.gz OQBFNLMCPFPAKL-HNNXBMFYSA-N 2 2 275.421 3.460 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001576149075 962437475 /nfs/dbraw/zinc/43/74/75/962437475.db2.gz BMMRGOXMJABRGQ-GHMZBOCLSA-N 2 2 274.330 3.131 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001576149075 962437489 /nfs/dbraw/zinc/43/74/89/962437489.db2.gz BMMRGOXMJABRGQ-GHMZBOCLSA-N 2 2 274.330 3.131 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H]1C ZINC001576680570 962481564 /nfs/dbraw/zinc/48/15/64/962481564.db2.gz PMCWOHMJTFMBHH-QMWOBKFGSA-N 2 2 258.409 3.025 20 0 CGADLP CC[C@@H](OCC[N@H+](CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184718 962520660 /nfs/dbraw/zinc/52/06/60/962520660.db2.gz OQFAFHFHHUMVJL-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@@H](OCC[N@@H+](CC)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001577184718 962520663 /nfs/dbraw/zinc/52/06/63/962520663.db2.gz OQFAFHFHHUMVJL-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])s1 ZINC001577608628 962557075 /nfs/dbraw/zinc/55/70/75/962557075.db2.gz JNSYDNGUVAQATQ-DOMZBBRYSA-N 2 2 264.438 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])s1 ZINC001577608628 962557087 /nfs/dbraw/zinc/55/70/87/962557087.db2.gz JNSYDNGUVAQATQ-DOMZBBRYSA-N 2 2 264.438 3.014 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001579684364 962651202 /nfs/dbraw/zinc/65/12/02/962651202.db2.gz BRZMFFSLEUSADE-GDIGMMSISA-N 2 2 280.415 3.140 20 0 CGADLP [NH3+]CCCCCCCSc1[nH+]cc2ccccn21 ZINC001580293142 962713601 /nfs/dbraw/zinc/71/36/01/962713601.db2.gz SHOCHIUYMWHFBE-UHFFFAOYSA-N 2 2 263.410 3.336 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000124369973 187134181 /nfs/dbraw/zinc/13/41/81/187134181.db2.gz LNCKMHIAGMVMSV-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000124369973 187134182 /nfs/dbraw/zinc/13/41/82/187134182.db2.gz LNCKMHIAGMVMSV-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C([NH2+][C@H]1CCC12CCC2)C1([NH+]2CCSCC2)CCCC1 ZINC000337393581 214051147 /nfs/dbraw/zinc/05/11/47/214051147.db2.gz MCZKHJLFFCRFPU-HNNXBMFYSA-N 2 2 294.508 3.270 20 0 CGADLP C[C@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337431426 214077619 /nfs/dbraw/zinc/07/76/19/214077619.db2.gz FUGLJCQWWKIUJE-BBRMVZONSA-N 2 2 289.810 3.452 20 0 CGADLP c1cn(CCCC[NH2+][C@@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000651197307 398213284 /nfs/dbraw/zinc/21/32/84/398213284.db2.gz LBEQVUYEZQEJIL-MRXNPFEDSA-N 2 2 261.413 3.222 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651225541 398218071 /nfs/dbraw/zinc/21/80/71/398218071.db2.gz MMRBHSXWBWICAY-DLBZAZTESA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000651225541 398218074 /nfs/dbraw/zinc/21/80/74/398218074.db2.gz MMRBHSXWBWICAY-DLBZAZTESA-N 2 2 262.441 3.029 20 0 CGADLP CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337634702 214190265 /nfs/dbraw/zinc/19/02/65/214190265.db2.gz ROJCMEAPWUUBER-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337634702 214190267 /nfs/dbraw/zinc/19/02/67/214190267.db2.gz ROJCMEAPWUUBER-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651676220 398267476 /nfs/dbraw/zinc/26/74/76/398267476.db2.gz SONGDGIZPFLXAO-WBVHZDCISA-N 2 2 275.440 3.320 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708994 398272413 /nfs/dbraw/zinc/27/24/13/398272413.db2.gz IALANPOBEXBWMF-FZMZJTMJSA-N 2 2 296.817 3.398 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708994 398272414 /nfs/dbraw/zinc/27/24/14/398272414.db2.gz IALANPOBEXBWMF-FZMZJTMJSA-N 2 2 296.817 3.398 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708996 398272501 /nfs/dbraw/zinc/27/25/01/398272501.db2.gz IALANPOBEXBWMF-SMDDNHRTSA-N 2 2 296.817 3.398 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708996 398272503 /nfs/dbraw/zinc/27/25/03/398272503.db2.gz IALANPOBEXBWMF-SMDDNHRTSA-N 2 2 296.817 3.398 20 0 CGADLP Cc1[nH+]ccn1CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000337867894 214293092 /nfs/dbraw/zinc/29/30/92/214293092.db2.gz PANUKEXNSKOVPB-UHFFFAOYSA-N 2 2 294.402 3.281 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccn(C)c1)c1ccccc1 ZINC000125492212 187187538 /nfs/dbraw/zinc/18/75/38/187187538.db2.gz OWMYVONPQJJSQM-HNNXBMFYSA-N 2 2 285.435 3.244 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000337986510 214343634 /nfs/dbraw/zinc/34/36/34/214343634.db2.gz DPIOEFJDPLFFSS-ZDUSSCGKSA-N 2 2 293.361 3.162 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccncc1F ZINC000338009061 214356912 /nfs/dbraw/zinc/35/69/12/214356912.db2.gz BDOFECJPNZOHIT-LBPRGKRZSA-N 2 2 279.403 3.134 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21)C[NH+](C)C ZINC000652200845 398327220 /nfs/dbraw/zinc/32/72/20/398327220.db2.gz MDZUIXXNQNPBER-GXFFZTMASA-N 2 2 284.806 3.254 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000440706823 529436966 /nfs/dbraw/zinc/43/69/66/529436966.db2.gz VLXXBNCOZNNRHU-CVEARBPZSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000440706823 529436967 /nfs/dbraw/zinc/43/69/67/529436967.db2.gz VLXXBNCOZNNRHU-CVEARBPZSA-N 2 2 270.436 3.323 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c[nH+]1 ZINC000591082554 346899445 /nfs/dbraw/zinc/89/94/45/346899445.db2.gz OXZZEXPJNSWETB-QGZVFWFLSA-N 2 2 269.392 3.153 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c[nH+]1 ZINC000591082554 346899449 /nfs/dbraw/zinc/89/94/49/346899449.db2.gz OXZZEXPJNSWETB-QGZVFWFLSA-N 2 2 269.392 3.153 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000440706826 529551763 /nfs/dbraw/zinc/55/17/63/529551763.db2.gz VLXXBNCOZNNRHU-HZPDHXFCSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000440706826 529551764 /nfs/dbraw/zinc/55/17/64/529551764.db2.gz VLXXBNCOZNNRHU-HZPDHXFCSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423458737 529568684 /nfs/dbraw/zinc/56/86/84/529568684.db2.gz HDOUJVBRBUWLIG-SJLPKXTDSA-N 2 2 284.403 3.112 20 0 CGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423445017 529622536 /nfs/dbraw/zinc/62/25/36/529622536.db2.gz YDWSLDKCLVKEJD-HOTGVXAUSA-N 2 2 296.842 3.149 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423513068 529617708 /nfs/dbraw/zinc/61/77/08/529617708.db2.gz UZTMUCFHECXQDC-NXHRZFHOSA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1F ZINC000423356632 529661932 /nfs/dbraw/zinc/66/19/32/529661932.db2.gz GZHFKFQWXWOGBL-NZVBXONLSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000423354347 529661981 /nfs/dbraw/zinc/66/19/81/529661981.db2.gz CTCSMXHVQTWWLV-TUKIKUTGSA-N 2 2 266.816 3.379 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423275340 529668900 /nfs/dbraw/zinc/66/89/00/529668900.db2.gz LRTXRMVMBPHAOI-QWHCGFSZSA-N 2 2 284.350 3.066 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358411503 529672827 /nfs/dbraw/zinc/67/28/27/529672827.db2.gz ZAXGGINTAPZOEX-UGFHNGPFSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358411503 529672829 /nfs/dbraw/zinc/67/28/29/529672829.db2.gz ZAXGGINTAPZOEX-UGFHNGPFSA-N 2 2 266.816 3.331 20 0 CGADLP CSCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000126336927 187233775 /nfs/dbraw/zinc/23/37/75/187233775.db2.gz GXVCECBIHGMCGL-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP CSCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000126336927 187233776 /nfs/dbraw/zinc/23/37/76/187233776.db2.gz GXVCECBIHGMCGL-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CSc3ccccc32)CC1(C)C ZINC000623424376 349804663 /nfs/dbraw/zinc/80/46/63/349804663.db2.gz PAGWNGREHCBYBF-OCCSQVGLSA-N 2 2 276.449 3.296 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368099944 529722445 /nfs/dbraw/zinc/72/24/45/529722445.db2.gz GVCAVMSBYNWJPG-QWRGUYRKSA-N 2 2 275.421 3.242 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368099944 529722447 /nfs/dbraw/zinc/72/24/47/529722447.db2.gz GVCAVMSBYNWJPG-QWRGUYRKSA-N 2 2 275.421 3.242 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c[nH+]1 ZINC000351322974 219090666 /nfs/dbraw/zinc/09/06/66/219090666.db2.gz DKBOPWPQJWPBED-ROUUACIJSA-N 2 2 298.434 3.293 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CS1 ZINC000623614916 349849702 /nfs/dbraw/zinc/84/97/02/349849702.db2.gz GAWOMEVGVAWFGN-IIAWOOMASA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CS1 ZINC000623614916 349849703 /nfs/dbraw/zinc/84/97/03/349849703.db2.gz GAWOMEVGVAWFGN-IIAWOOMASA-N 2 2 282.497 3.267 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623606932 349847853 /nfs/dbraw/zinc/84/78/53/349847853.db2.gz PWWZAYSSAOUABF-IRXDYDNUSA-N 2 2 281.403 3.111 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000623657655 349859689 /nfs/dbraw/zinc/85/96/89/349859689.db2.gz WARRAXPVDNLSPO-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000623657655 349859690 /nfs/dbraw/zinc/85/96/90/349859690.db2.gz WARRAXPVDNLSPO-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623820986 349889464 /nfs/dbraw/zinc/88/94/64/349889464.db2.gz ARGPYEQAWPKXEP-CQSZACIVSA-N 2 2 298.352 3.118 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000623820986 349889466 /nfs/dbraw/zinc/88/94/66/349889466.db2.gz ARGPYEQAWPKXEP-CQSZACIVSA-N 2 2 298.352 3.118 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCCC23CC3)[nH+]1 ZINC000623825024 349890723 /nfs/dbraw/zinc/89/07/23/349890723.db2.gz VBZVGYLHVHOEIH-ZDUSSCGKSA-N 2 2 255.365 3.004 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000623863927 349899120 /nfs/dbraw/zinc/89/91/20/349899120.db2.gz BVJYDMRLXGQZQK-YDHLFZDLSA-N 2 2 295.496 3.470 20 0 CGADLP COCC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)(C)C ZINC000338957183 214864302 /nfs/dbraw/zinc/86/43/02/214864302.db2.gz FNECEZCIUZKAMH-MRXNPFEDSA-N 2 2 278.440 3.363 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000623888770 349906759 /nfs/dbraw/zinc/90/67/59/349906759.db2.gz UFGGBVLXXXUBTI-KBPBESRZSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000623888770 349906761 /nfs/dbraw/zinc/90/67/61/349906761.db2.gz UFGGBVLXXXUBTI-KBPBESRZSA-N 2 2 281.469 3.223 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423225930 529978428 /nfs/dbraw/zinc/97/84/28/529978428.db2.gz OTXKIWCKNMRLHK-VIFPVBQESA-N 2 2 297.196 3.065 20 0 CGADLP CC(C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272198627 534971940 /nfs/dbraw/zinc/97/19/40/534971940.db2.gz IRILJZWNBYEBIQ-AWEZNQCLSA-N 2 2 290.455 3.068 20 0 CGADLP Cc1cc(C)c(C[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000044353236 345009580 /nfs/dbraw/zinc/00/95/80/345009580.db2.gz BUVAJFDGSMKCPT-UHFFFAOYSA-N 2 2 271.408 3.378 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000072965644 345425217 /nfs/dbraw/zinc/42/52/17/345425217.db2.gz RZJCXLJLAXBIKJ-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000072965644 345425221 /nfs/dbraw/zinc/42/52/21/345425221.db2.gz RZJCXLJLAXBIKJ-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072965644 345425222 /nfs/dbraw/zinc/42/52/22/345425222.db2.gz RZJCXLJLAXBIKJ-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072965644 345425225 /nfs/dbraw/zinc/42/52/25/345425225.db2.gz RZJCXLJLAXBIKJ-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2cc(F)ccc12 ZINC000078333614 345600693 /nfs/dbraw/zinc/60/06/93/345600693.db2.gz ZUJPPIYZBQTZHA-UHFFFAOYSA-N 2 2 284.338 3.381 20 0 CGADLP Cc1cc(NCCNc2cccc[nH+]2)c2ccccc2[nH+]1 ZINC000078548415 345613271 /nfs/dbraw/zinc/61/32/71/345613271.db2.gz YDLWEUDRAYHMGR-UHFFFAOYSA-N 2 2 278.359 3.462 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000152984183 232212176 /nfs/dbraw/zinc/21/21/76/232212176.db2.gz GWJJAZXWGKQMNK-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000152984183 232212180 /nfs/dbraw/zinc/21/21/80/232212180.db2.gz GWJJAZXWGKQMNK-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2ccncc12 ZINC000085653175 345747037 /nfs/dbraw/zinc/74/70/37/345747037.db2.gz JKHSXBVQOFTZJT-AWEZNQCLSA-N 2 2 284.407 3.306 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccncc12 ZINC000085653175 345747038 /nfs/dbraw/zinc/74/70/38/345747038.db2.gz JKHSXBVQOFTZJT-AWEZNQCLSA-N 2 2 284.407 3.306 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCCCCC1 ZINC000157391659 232232723 /nfs/dbraw/zinc/23/27/23/232232723.db2.gz FPQUWXQNZHXGBK-OAHLLOKOSA-N 2 2 278.415 3.222 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2cccc(F)c2[nH+]1 ZINC000091483110 345816212 /nfs/dbraw/zinc/81/62/12/345816212.db2.gz XYBATBZBZBQMLD-ZDUSSCGKSA-N 2 2 287.382 3.436 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cccc(F)c2[nH+]1 ZINC000091483110 345816214 /nfs/dbraw/zinc/81/62/14/345816214.db2.gz XYBATBZBZBQMLD-ZDUSSCGKSA-N 2 2 287.382 3.436 20 0 CGADLP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090117198 345783738 /nfs/dbraw/zinc/78/37/38/345783738.db2.gz DMGKNNPXEXUBMX-HZPDHXFCSA-N 2 2 289.467 3.460 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190843 345872053 /nfs/dbraw/zinc/87/20/53/345872053.db2.gz YHELDQDFFDVDLY-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190843 345872058 /nfs/dbraw/zinc/87/20/58/345872058.db2.gz YHELDQDFFDVDLY-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190843 345872060 /nfs/dbraw/zinc/87/20/60/345872060.db2.gz YHELDQDFFDVDLY-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190843 345872065 /nfs/dbraw/zinc/87/20/65/345872065.db2.gz YHELDQDFFDVDLY-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000093604554 345883794 /nfs/dbraw/zinc/88/37/94/345883794.db2.gz JDOVEFUIKJVKLT-MRXNPFEDSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000093604554 345883798 /nfs/dbraw/zinc/88/37/98/345883798.db2.gz JDOVEFUIKJVKLT-MRXNPFEDSA-N 2 2 276.399 3.052 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000113552606 345961027 /nfs/dbraw/zinc/96/10/27/345961027.db2.gz ATOGRSAWXVNGCX-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000113552606 345961028 /nfs/dbraw/zinc/96/10/28/345961028.db2.gz ATOGRSAWXVNGCX-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553954 346012754 /nfs/dbraw/zinc/01/27/54/346012754.db2.gz HELCXWWTLHSLJZ-PWSUYJOCSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553954 346012757 /nfs/dbraw/zinc/01/27/57/346012757.db2.gz HELCXWWTLHSLJZ-PWSUYJOCSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124554085 346012973 /nfs/dbraw/zinc/01/29/73/346012973.db2.gz HELCXWWTLHSLJZ-JQWIXIFHSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124554085 346012976 /nfs/dbraw/zinc/01/29/76/346012976.db2.gz HELCXWWTLHSLJZ-JQWIXIFHSA-N 2 2 293.461 3.183 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(O)c1 ZINC000141723408 346109388 /nfs/dbraw/zinc/10/93/88/346109388.db2.gz YPTTWLGRDJFGLZ-ZDUSSCGKSA-N 2 2 264.413 3.163 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)c1cccc(O)c1 ZINC000141723408 346109391 /nfs/dbraw/zinc/10/93/91/346109391.db2.gz YPTTWLGRDJFGLZ-ZDUSSCGKSA-N 2 2 264.413 3.163 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000144763239 346118764 /nfs/dbraw/zinc/11/87/64/346118764.db2.gz VYNTVAQLWGYNNT-GFCCVEGCSA-N 2 2 293.798 3.286 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000156388157 346158095 /nfs/dbraw/zinc/15/80/95/346158095.db2.gz VVYUTVCSGWLMGJ-HNNXBMFYSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000156388157 346158100 /nfs/dbraw/zinc/15/81/00/346158100.db2.gz VVYUTVCSGWLMGJ-HNNXBMFYSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000157060555 346160757 /nfs/dbraw/zinc/16/07/57/346160757.db2.gz BEJDJMRMHCUSIG-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000157060555 346160759 /nfs/dbraw/zinc/16/07/59/346160759.db2.gz BEJDJMRMHCUSIG-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP COC[C@H](C)C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000187766301 346260817 /nfs/dbraw/zinc/26/08/17/346260817.db2.gz GTKNEMYCVPQWJK-AEFFLSMTSA-N 2 2 290.451 3.004 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000235150119 346334088 /nfs/dbraw/zinc/33/40/88/346334088.db2.gz IIHOLEVYEHOOQC-LBPRGKRZSA-N 2 2 263.772 3.023 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130980 346572484 /nfs/dbraw/zinc/57/24/84/346572484.db2.gz FDGKNXXJBBZGBC-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000389130980 346572490 /nfs/dbraw/zinc/57/24/90/346572490.db2.gz FDGKNXXJBBZGBC-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP CCS[C@H]1CCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000397468084 346582594 /nfs/dbraw/zinc/58/25/94/346582594.db2.gz PAOXCSYUVOVLJZ-CABCVRRESA-N 2 2 264.438 3.196 20 0 CGADLP Fc1cccc(C=C2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000577189310 346671183 /nfs/dbraw/zinc/67/11/83/346671183.db2.gz XDRROEJHAWIDJI-UHFFFAOYSA-N 2 2 285.366 3.202 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000588178218 346755439 /nfs/dbraw/zinc/75/54/39/346755439.db2.gz ZHJAFOOVYFXNEL-SSZFMOIBSA-N 2 2 269.392 3.356 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)c[nH+]1 ZINC000604386332 348117919 /nfs/dbraw/zinc/11/79/19/348117919.db2.gz OWBGXIBKRPPQPS-GOSISDBHSA-N 2 2 281.403 3.209 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)c[nH+]1 ZINC000604386332 348117920 /nfs/dbraw/zinc/11/79/20/348117920.db2.gz OWBGXIBKRPPQPS-GOSISDBHSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884538 348136881 /nfs/dbraw/zinc/13/68/81/348136881.db2.gz MTTXANUIOKZHTA-NVXWUHKLSA-N 2 2 269.392 3.324 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884538 348136886 /nfs/dbraw/zinc/13/68/86/348136886.db2.gz MTTXANUIOKZHTA-NVXWUHKLSA-N 2 2 269.392 3.324 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]Cc3c[nH+]c[nH]3)c(C)c2c1 ZINC000358709543 233181054 /nfs/dbraw/zinc/18/10/54/233181054.db2.gz AHSWELBSDYHGPB-NSHDSACASA-N 2 2 285.347 3.324 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272630 350015813 /nfs/dbraw/zinc/01/58/13/350015813.db2.gz MXHBXHVEGYZNGH-AAEUAGOBSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272630 350015815 /nfs/dbraw/zinc/01/58/15/350015815.db2.gz MXHBXHVEGYZNGH-AAEUAGOBSA-N 2 2 290.373 3.181 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)[nH+]c1 ZINC000624313392 350024527 /nfs/dbraw/zinc/02/45/27/350024527.db2.gz LTWGCDOEUDJHAI-HNNXBMFYSA-N 2 2 285.435 3.220 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000271207953 191000634 /nfs/dbraw/zinc/00/06/34/191000634.db2.gz ZDSSFUYJXRDMQL-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000359131217 233265928 /nfs/dbraw/zinc/26/59/28/233265928.db2.gz MIFCAUHPNSWSQI-VIFPVBQESA-N 2 2 289.326 3.222 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625268625 350150002 /nfs/dbraw/zinc/15/00/02/350150002.db2.gz PYHYZDWUWLFRPT-LSDHHAIUSA-N 2 2 263.429 3.426 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625268625 350150005 /nfs/dbraw/zinc/15/00/05/350150005.db2.gz PYHYZDWUWLFRPT-LSDHHAIUSA-N 2 2 263.429 3.426 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccs2)CC1 ZINC000271335736 191081252 /nfs/dbraw/zinc/08/12/52/191081252.db2.gz ZPTIKEZKGOPARW-UHFFFAOYSA-N 2 2 290.432 3.438 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccs2)CC1 ZINC000271335736 191081253 /nfs/dbraw/zinc/08/12/53/191081253.db2.gz ZPTIKEZKGOPARW-UHFFFAOYSA-N 2 2 290.432 3.438 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000359749562 233370812 /nfs/dbraw/zinc/37/08/12/233370812.db2.gz QOXWTAXKVJLNSZ-RYUDHWBXSA-N 2 2 272.845 3.364 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@]1(C)CCCS1 ZINC000628275749 350474507 /nfs/dbraw/zinc/47/45/07/350474507.db2.gz BFSFFWAEGMKNJP-MRXNPFEDSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@]1(C)CCCS1 ZINC000628275749 350474508 /nfs/dbraw/zinc/47/45/08/350474508.db2.gz BFSFFWAEGMKNJP-MRXNPFEDSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@@]1(C)CCCS1)Cc1ccco1 ZINC000628275749 350474510 /nfs/dbraw/zinc/47/45/10/350474510.db2.gz BFSFFWAEGMKNJP-MRXNPFEDSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@@]1(C)CCCS1)Cc1ccco1 ZINC000628275749 350474512 /nfs/dbraw/zinc/47/45/12/350474512.db2.gz BFSFFWAEGMKNJP-MRXNPFEDSA-N 2 2 296.480 3.319 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC(F)(F)C1 ZINC000628328638 350503314 /nfs/dbraw/zinc/50/33/14/350503314.db2.gz RHKNDRKFBQZFOX-UBHSHLNASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC(F)(F)C1 ZINC000628328638 350503315 /nfs/dbraw/zinc/50/33/15/350503315.db2.gz RHKNDRKFBQZFOX-UBHSHLNASA-N 2 2 272.383 3.027 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000629525912 350702375 /nfs/dbraw/zinc/70/23/75/350702375.db2.gz GAIHWJJGIWXQPI-KKBVYLPWSA-N 2 2 258.409 3.355 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000629525913 350702470 /nfs/dbraw/zinc/70/24/70/350702470.db2.gz GAIHWJJGIWXQPI-OSMBCOQSSA-N 2 2 258.409 3.355 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000629526449 350702481 /nfs/dbraw/zinc/70/24/81/350702481.db2.gz UTGADJSSBUMMAC-AEGPPILISA-N 2 2 264.388 3.234 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000629525922 350702537 /nfs/dbraw/zinc/70/25/37/350702537.db2.gz GQYJHTSHJRFVRH-KGYLQXTDSA-N 2 2 275.421 3.087 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629535844 350704580 /nfs/dbraw/zinc/70/45/80/350704580.db2.gz FIPCSQAFLHENDL-DZKIICNBSA-N 2 2 276.424 3.267 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(C)c1F ZINC000629534453 350705212 /nfs/dbraw/zinc/70/52/12/350705212.db2.gz AAMYQEPQWIZDKI-IPYPFGDCSA-N 2 2 264.388 3.234 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000629534514 350705227 /nfs/dbraw/zinc/70/52/27/350705227.db2.gz ALAGLIYYODHVRG-SRVKXCTJSA-N 2 2 252.427 3.102 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000629540638 350707722 /nfs/dbraw/zinc/70/77/22/350707722.db2.gz RPTVCQJSTGEJCF-GMXVVIOVSA-N 2 2 282.428 3.339 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc21 ZINC000629544312 350709550 /nfs/dbraw/zinc/70/95/50/350709550.db2.gz JIMGHKCHLDBBNF-SGMGOOAPSA-N 2 2 288.391 3.233 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000629545382 350709676 /nfs/dbraw/zinc/70/96/76/350709676.db2.gz DJUANHKNHXDLCY-BIMULSAOSA-N 2 2 282.840 3.217 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000629555702 350712572 /nfs/dbraw/zinc/71/25/72/350712572.db2.gz BBUAYFPDHZKTOF-XFBWCDHKSA-N 2 2 278.827 3.448 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000629396399 350688548 /nfs/dbraw/zinc/68/85/48/350688548.db2.gz YJYWQAHGUOCMQV-ONGXEEELSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000629404713 350689253 /nfs/dbraw/zinc/68/92/53/350689253.db2.gz CFLMYMBJMHIGMK-KBXCAEBGSA-N 2 2 266.388 3.194 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000629524399 350701306 /nfs/dbraw/zinc/70/13/06/350701306.db2.gz QJEFUIMAOKJRCL-KWCYVHTRSA-N 2 2 298.377 3.388 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000629524139 350701327 /nfs/dbraw/zinc/70/13/27/350701327.db2.gz MITAQRBOIPPGFS-LEWSCRJBSA-N 2 2 297.240 3.240 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](CC3CCCCCC3)CC2)c1 ZINC000630343569 350824519 /nfs/dbraw/zinc/82/45/19/350824519.db2.gz RFMRZGKUCUCYAO-UHFFFAOYSA-N 2 2 287.451 3.482 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000631140136 350966597 /nfs/dbraw/zinc/96/65/97/350966597.db2.gz LNJKSYBUAQWKER-ZDUSSCGKSA-N 2 2 295.361 3.349 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc12 ZINC000631140136 350966600 /nfs/dbraw/zinc/96/66/00/350966600.db2.gz LNJKSYBUAQWKER-ZDUSSCGKSA-N 2 2 295.361 3.349 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CCC2 ZINC000631653710 351107166 /nfs/dbraw/zinc/10/71/66/351107166.db2.gz ZJSDFCVZUNDEGI-APWZRJJASA-N 2 2 299.462 3.456 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CCC2 ZINC000631653710 351107169 /nfs/dbraw/zinc/10/71/69/351107169.db2.gz ZJSDFCVZUNDEGI-APWZRJJASA-N 2 2 299.462 3.456 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000631572918 351071747 /nfs/dbraw/zinc/07/17/47/351071747.db2.gz OKMOZUDRMCIXDC-ZBFHGGJFSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000631572918 351071749 /nfs/dbraw/zinc/07/17/49/351071749.db2.gz OKMOZUDRMCIXDC-ZBFHGGJFSA-N 2 2 285.435 3.173 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCCc2ncccc21)Cc1ccccc1 ZINC000631573546 351072498 /nfs/dbraw/zinc/07/24/98/351072498.db2.gz YXQJAHAEVOXXOB-IBGZPJMESA-N 2 2 295.430 3.181 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCCc2ncccc21)Cc1ccccc1 ZINC000631573546 351072499 /nfs/dbraw/zinc/07/24/99/351072499.db2.gz YXQJAHAEVOXXOB-IBGZPJMESA-N 2 2 295.430 3.181 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000631626350 351095426 /nfs/dbraw/zinc/09/54/26/351095426.db2.gz PXTZIFKUJIBXLU-KRWDZBQOSA-N 2 2 297.402 3.005 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)C[NH+](C)C ZINC000631632789 351097775 /nfs/dbraw/zinc/09/77/75/351097775.db2.gz VYXWGGUWOVODBH-KGLIPLIRSA-N 2 2 273.424 3.029 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823676 351148798 /nfs/dbraw/zinc/14/87/98/351148798.db2.gz KWQLXTPTPPJYFX-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823676 351148802 /nfs/dbraw/zinc/14/88/02/351148802.db2.gz KWQLXTPTPPJYFX-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP Cc1cc(C)c(CN2CCc3ccccc3[C@@H]2C[NH3+])c(C)[nH+]1 ZINC000631829226 351148874 /nfs/dbraw/zinc/14/88/74/351148874.db2.gz LGUXWCBFMBKNRR-IBGZPJMESA-N 2 2 295.430 3.065 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000369359235 282760308 /nfs/dbraw/zinc/76/03/08/282760308.db2.gz QMGNHNBXWINDST-LBPRGKRZSA-N 2 2 298.415 3.414 20 0 CGADLP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000634680668 351566397 /nfs/dbraw/zinc/56/63/97/351566397.db2.gz YNHREEMAHASCKX-HOCLYGCPSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991999 351619089 /nfs/dbraw/zinc/61/90/89/351619089.db2.gz ZONKZNJSCPBLGC-POZPTJLLSA-N 2 2 270.376 3.178 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991999 351619092 /nfs/dbraw/zinc/61/90/92/351619092.db2.gz ZONKZNJSCPBLGC-POZPTJLLSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccc(C[N@H+](CC23CC(C2)C[NH2+]3)C(C)C)s1 ZINC000634992603 351619686 /nfs/dbraw/zinc/61/96/86/351619686.db2.gz VJBAEYIBSHFRJV-UHFFFAOYSA-N 2 2 264.438 3.019 20 0 CGADLP Cc1ccc(C[N@@H+](CC23CC(C2)C[NH2+]3)C(C)C)s1 ZINC000634992603 351619687 /nfs/dbraw/zinc/61/96/87/351619687.db2.gz VJBAEYIBSHFRJV-UHFFFAOYSA-N 2 2 264.438 3.019 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000634998120 351621145 /nfs/dbraw/zinc/62/11/45/351621145.db2.gz AZJPIYXSLLPZEM-CQSZACIVSA-N 2 2 294.414 3.042 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000635009699 351627516 /nfs/dbraw/zinc/62/75/16/351627516.db2.gz ZBAOXOLLUOYGHQ-CUOATXAZSA-N 2 2 273.405 3.247 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632411 234118679 /nfs/dbraw/zinc/11/86/79/234118679.db2.gz SUARCUGWXRSUID-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632411 234118683 /nfs/dbraw/zinc/11/86/83/234118683.db2.gz SUARCUGWXRSUID-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000367698439 234243645 /nfs/dbraw/zinc/24/36/45/234243645.db2.gz FHXAFRRODLGCSL-OAHLLOKOSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367698439 234243649 /nfs/dbraw/zinc/24/36/49/234243649.db2.gz FHXAFRRODLGCSL-OAHLLOKOSA-N 2 2 281.359 3.156 20 0 CGADLP C[C@H]1CCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000152220727 188002935 /nfs/dbraw/zinc/00/29/35/188002935.db2.gz MVPAOBUIIWQVMO-KBPBESRZSA-N 2 2 271.408 3.284 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000152622067 188032905 /nfs/dbraw/zinc/03/29/05/188032905.db2.gz QFLNNTHCTVQVPS-UONOGXRCSA-N 2 2 278.440 3.117 20 0 CGADLP Fc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000157351868 188312020 /nfs/dbraw/zinc/31/20/20/188312020.db2.gz AAZBIQHHOIMHNT-HNNXBMFYSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000157351868 188312021 /nfs/dbraw/zinc/31/20/21/188312021.db2.gz AAZBIQHHOIMHNT-HNNXBMFYSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000149605477 283020393 /nfs/dbraw/zinc/02/03/93/283020393.db2.gz HJMUHPKPKPOOQH-GVDBMIGSSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000149605477 283020396 /nfs/dbraw/zinc/02/03/96/283020396.db2.gz HJMUHPKPKPOOQH-GVDBMIGSSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321170 235048201 /nfs/dbraw/zinc/04/82/01/235048201.db2.gz HKBLCPTWIXYRBW-OKZBNKHCSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321170 235048205 /nfs/dbraw/zinc/04/82/05/235048205.db2.gz HKBLCPTWIXYRBW-OKZBNKHCSA-N 2 2 298.361 3.230 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2sccc21 ZINC000414129627 235342369 /nfs/dbraw/zinc/34/23/69/235342369.db2.gz VOMHFEDXIYLTMB-BXUZGUMPSA-N 2 2 275.421 3.252 20 0 CGADLP Cc1occc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000414303517 235383672 /nfs/dbraw/zinc/38/36/72/235383672.db2.gz LNNYQJPOFCCEHT-UHFFFAOYSA-N 2 2 269.348 3.187 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414741506 235459300 /nfs/dbraw/zinc/45/93/00/235459300.db2.gz MMXZLNIUTYDVOE-WFASDCNBSA-N 2 2 298.858 3.394 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142428 283186703 /nfs/dbraw/zinc/18/67/03/283186703.db2.gz VDLLQYXIYTYWHB-XWTMOSNGSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142428 283186704 /nfs/dbraw/zinc/18/67/04/283186704.db2.gz VDLLQYXIYTYWHB-XWTMOSNGSA-N 3 2 295.515 3.007 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868680 138356322 /nfs/dbraw/zinc/35/63/22/138356322.db2.gz FTTCMUVPRALRSZ-VXGBXAGGSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868680 138356323 /nfs/dbraw/zinc/35/63/23/138356323.db2.gz FTTCMUVPRALRSZ-VXGBXAGGSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000123700347 138369580 /nfs/dbraw/zinc/36/95/80/138369580.db2.gz RFUBDRKJQBMXOZ-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000123700347 138369581 /nfs/dbraw/zinc/36/95/81/138369581.db2.gz RFUBDRKJQBMXOZ-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700347 138369582 /nfs/dbraw/zinc/36/95/82/138369582.db2.gz RFUBDRKJQBMXOZ-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700347 138369584 /nfs/dbraw/zinc/36/95/84/138369584.db2.gz RFUBDRKJQBMXOZ-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123777684 138369843 /nfs/dbraw/zinc/36/98/43/138369843.db2.gz VGXMYMJIGWPLJO-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123777684 138369844 /nfs/dbraw/zinc/36/98/44/138369844.db2.gz VGXMYMJIGWPLJO-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc2ncc(C[NH+]3CCC([NH+](C)C)CC3)cc2c1 ZINC000336283951 213123326 /nfs/dbraw/zinc/12/33/26/213123326.db2.gz CTPRJOJDBYNIBM-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc21 ZINC000423282283 236022061 /nfs/dbraw/zinc/02/20/61/236022061.db2.gz VSFCGXKJAUGDKF-YPMHNXCESA-N 2 2 276.380 3.075 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1csc(-c2ccccc2)n1 ZINC000423289926 236025981 /nfs/dbraw/zinc/02/59/81/236025981.db2.gz YMUAGUWYJIBHKS-NSHDSACASA-N 2 2 275.421 3.198 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423275278 236018124 /nfs/dbraw/zinc/01/81/24/236018124.db2.gz LKMSKKFYWISEPB-SMDDNHRTSA-N 2 2 258.365 3.129 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000482080290 535364739 /nfs/dbraw/zinc/36/47/39/535364739.db2.gz JDCCOJBLPGVAJR-IRXDYDNUSA-N 2 2 282.472 3.021 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000482080290 535364743 /nfs/dbraw/zinc/36/47/43/535364743.db2.gz JDCCOJBLPGVAJR-IRXDYDNUSA-N 2 2 282.472 3.021 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)C1CC1 ZINC000423336640 236043575 /nfs/dbraw/zinc/04/35/75/236043575.db2.gz XWQXBQGDAVZVAG-KRWDZBQOSA-N 2 2 264.372 3.083 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000294456608 199047587 /nfs/dbraw/zinc/04/75/87/199047587.db2.gz YQEZSUSXGLSWEX-HNNXBMFYSA-N 2 2 299.418 3.200 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(F)c1 ZINC000425342800 236233223 /nfs/dbraw/zinc/23/32/23/236233223.db2.gz ZZLCMIZHHKIRQP-SUMWQHHRSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)c1 ZINC000425342800 236233225 /nfs/dbraw/zinc/23/32/25/236233225.db2.gz ZZLCMIZHHKIRQP-SUMWQHHRSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342800 236233226 /nfs/dbraw/zinc/23/32/26/236233226.db2.gz ZZLCMIZHHKIRQP-SUMWQHHRSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342800 236233227 /nfs/dbraw/zinc/23/32/27/236233227.db2.gz ZZLCMIZHHKIRQP-SUMWQHHRSA-N 2 2 294.389 3.189 20 0 CGADLP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692682 199136223 /nfs/dbraw/zinc/13/62/23/199136223.db2.gz ASRWGRGXAMEKGV-VXGBXAGGSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692682 199136225 /nfs/dbraw/zinc/13/62/25/199136225.db2.gz ASRWGRGXAMEKGV-VXGBXAGGSA-N 2 2 297.324 3.497 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000294917830 199247229 /nfs/dbraw/zinc/24/72/29/199247229.db2.gz YMMHSABBONRMHM-LJQANCHMSA-N 2 2 298.430 3.170 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311039 237079073 /nfs/dbraw/zinc/07/90/73/237079073.db2.gz WQUWSNXBNDBSHS-WIRVQXDCSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311039 237079080 /nfs/dbraw/zinc/07/90/80/237079080.db2.gz WQUWSNXBNDBSHS-WIRVQXDCSA-N 2 2 288.410 3.144 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC000437107816 237252717 /nfs/dbraw/zinc/25/27/17/237252717.db2.gz CFPTVMQQSFWYHE-IRXDYDNUSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000437776579 237345142 /nfs/dbraw/zinc/34/51/42/237345142.db2.gz PONWSHKKAOOKLD-XJKCOSOUSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000437776579 237345146 /nfs/dbraw/zinc/34/51/46/237345146.db2.gz PONWSHKKAOOKLD-XJKCOSOUSA-N 2 2 264.388 3.002 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000297903975 200301430 /nfs/dbraw/zinc/30/14/30/200301430.db2.gz RTIRRKUZHCZEOY-MRXNPFEDSA-N 2 2 289.810 3.453 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cs1 ZINC000297839488 200289698 /nfs/dbraw/zinc/28/96/98/200289698.db2.gz SISIZHKOFWTKNN-GMXABZIVSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cs1 ZINC000297839488 200289699 /nfs/dbraw/zinc/28/96/99/200289699.db2.gz SISIZHKOFWTKNN-GMXABZIVSA-N 2 2 264.438 3.190 20 0 CGADLP COc1ccc([C@@H](C[NH2+][C@H](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000177184132 189034807 /nfs/dbraw/zinc/03/48/07/189034807.db2.gz DMHKIWSBFJVOPP-RDTXWAMCSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000440061379 238292889 /nfs/dbraw/zinc/29/28/89/238292889.db2.gz JQNYRLQVGDTFMY-FMKPAKJESA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000440061379 238292894 /nfs/dbraw/zinc/29/28/94/238292894.db2.gz JQNYRLQVGDTFMY-FMKPAKJESA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]([NH3+])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000414816001 296030912 /nfs/dbraw/zinc/03/09/12/296030912.db2.gz WAINGSSUASZONG-CQSZACIVSA-N 2 2 296.418 3.314 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000301544592 201061023 /nfs/dbraw/zinc/06/10/23/201061023.db2.gz OIPGQACJTOFUMW-LLVKDONJSA-N 2 2 253.777 3.021 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000301544592 201061027 /nfs/dbraw/zinc/06/10/27/201061027.db2.gz OIPGQACJTOFUMW-LLVKDONJSA-N 2 2 253.777 3.021 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182801017 189335931 /nfs/dbraw/zinc/33/59/31/189335931.db2.gz ZDSLAAKGBIBSJQ-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182801017 189335932 /nfs/dbraw/zinc/33/59/32/189335932.db2.gz ZDSLAAKGBIBSJQ-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP Cc1cccc2[nH+]c(CNc3[nH]c4ccccc4[nH+]3)cn21 ZINC000301897753 201252455 /nfs/dbraw/zinc/25/24/55/201252455.db2.gz WCBFLXILBFSCSJ-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000449229653 239256309 /nfs/dbraw/zinc/25/63/09/239256309.db2.gz CYEPGQLTDARXBS-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000449229653 239256314 /nfs/dbraw/zinc/25/63/14/239256314.db2.gz CYEPGQLTDARXBS-CQSZACIVSA-N 2 2 289.448 3.245 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000120687434 370791527 /nfs/dbraw/zinc/79/15/27/370791527.db2.gz VKXPGPCBOVPPMM-CRAIPNDOSA-N 2 2 287.451 3.214 20 0 CGADLP C[N@H+](CCC1CCOCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120736603 370795080 /nfs/dbraw/zinc/79/50/80/370795080.db2.gz ADNMYCHYDWGNIR-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP C[N@@H+](CCC1CCOCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120736603 370795082 /nfs/dbraw/zinc/79/50/82/370795082.db2.gz ADNMYCHYDWGNIR-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000275626515 193090243 /nfs/dbraw/zinc/09/02/43/193090243.db2.gz AQZZSJUVOVPTFT-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000459655927 242165644 /nfs/dbraw/zinc/16/56/44/242165644.db2.gz GTAVPTRMFFSIIF-CHWSQXEVSA-N 2 2 291.826 3.398 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(C)c(C)n2)c[nH+]1 ZINC000459660209 242167133 /nfs/dbraw/zinc/16/71/33/242167133.db2.gz DTQOIBOALYXCAF-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000459671424 242170821 /nfs/dbraw/zinc/17/08/21/242170821.db2.gz GLRZXQSOPIOLCC-BBRMVZONSA-N 2 2 291.439 3.116 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1C ZINC000459683262 242182743 /nfs/dbraw/zinc/18/27/43/242182743.db2.gz ZOKWJVDGDIVDBB-UHFFFAOYSA-N 2 2 275.440 3.051 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712876 242190095 /nfs/dbraw/zinc/19/00/95/242190095.db2.gz NQLOQVRUJWMALW-CJNGLKHVSA-N 2 2 292.854 3.202 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000459712876 242190098 /nfs/dbraw/zinc/19/00/98/242190098.db2.gz NQLOQVRUJWMALW-CJNGLKHVSA-N 2 2 292.854 3.202 20 0 CGADLP CCC1(c2ccccc2)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000459744552 242205762 /nfs/dbraw/zinc/20/57/62/242205762.db2.gz GICJHUSHMAVCEH-UHFFFAOYSA-N 2 2 291.398 3.498 20 0 CGADLP Cc1cc(NCc2cccc3[nH+]ccn32)ccc1C[NH+](C)C ZINC000459765458 242219116 /nfs/dbraw/zinc/21/91/16/242219116.db2.gz PDPWLFXGKCRRRI-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000225384469 189748295 /nfs/dbraw/zinc/74/82/95/189748295.db2.gz WOVFMGYKZDZFSP-OAHLLOKOSA-N 2 2 288.439 3.276 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000462811980 242364923 /nfs/dbraw/zinc/36/49/23/242364923.db2.gz GXHSDVNUKSSJJD-YOEHRIQHSA-N 2 2 270.420 3.087 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000462811980 242364926 /nfs/dbraw/zinc/36/49/26/242364926.db2.gz GXHSDVNUKSSJJD-YOEHRIQHSA-N 2 2 270.420 3.087 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408187 243101899 /nfs/dbraw/zinc/10/18/99/243101899.db2.gz HIABCUBNKLEGPE-CXAGYDPISA-N 2 2 296.405 3.217 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408187 243101903 /nfs/dbraw/zinc/10/19/03/243101903.db2.gz HIABCUBNKLEGPE-CXAGYDPISA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000480617645 243157724 /nfs/dbraw/zinc/15/77/24/243157724.db2.gz ZBCMZGTUAFEATF-QAPCUYQASA-N 2 2 272.436 3.241 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482951003 243254119 /nfs/dbraw/zinc/25/41/19/243254119.db2.gz AKZZGOVZZHSZGY-GOSISDBHSA-N 2 2 274.452 3.329 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000482951003 243254125 /nfs/dbraw/zinc/25/41/25/243254125.db2.gz AKZZGOVZZHSZGY-GOSISDBHSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000486932900 243379996 /nfs/dbraw/zinc/37/99/96/243379996.db2.gz DMVOKUJVIYBXLB-RHSMWYFYSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000486961615 243386850 /nfs/dbraw/zinc/38/68/50/243386850.db2.gz CKRWBQSEYZYSRW-PBHICJAKSA-N 2 2 287.451 3.070 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000124208793 370920925 /nfs/dbraw/zinc/92/09/25/370920925.db2.gz LJDVAWLVCHHQOI-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1Br ZINC000019943359 368788253 /nfs/dbraw/zinc/78/82/53/368788253.db2.gz ZNYQRQPBTFGCLE-UHFFFAOYSA-N 2 2 299.256 3.271 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840438 369031562 /nfs/dbraw/zinc/03/15/62/369031562.db2.gz XGSUTYYLTLZHIC-OFLPRAFFSA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840438 369031571 /nfs/dbraw/zinc/03/15/71/369031571.db2.gz XGSUTYYLTLZHIC-OFLPRAFFSA-N 2 2 258.409 3.007 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036843321 369033507 /nfs/dbraw/zinc/03/35/07/369033507.db2.gz LMPIQXGTNVHKHD-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000037158110 369072395 /nfs/dbraw/zinc/07/23/95/369072395.db2.gz AAOKGYIZMITFBF-IUODEOHRSA-N 2 2 261.344 3.152 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000037157127 369072562 /nfs/dbraw/zinc/07/25/62/369072562.db2.gz BGTGGMYDGXKWAP-HOCLYGCPSA-N 2 2 257.381 3.403 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Cl ZINC000037157437 369073193 /nfs/dbraw/zinc/07/31/93/369073193.db2.gz JFTFEIRRCXBRGW-VXGBXAGGSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(Cl)o1)C[NH+]1CCCCC1 ZINC000037997589 369135996 /nfs/dbraw/zinc/13/59/96/369135996.db2.gz HMLAQSRRCARPRT-GFCCVEGCSA-N 2 2 270.804 3.145 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684908 369265511 /nfs/dbraw/zinc/26/55/11/369265511.db2.gz SOSAJGBRQHLMCG-FZMZJTMJSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000044684908 369265515 /nfs/dbraw/zinc/26/55/15/369265515.db2.gz SOSAJGBRQHLMCG-FZMZJTMJSA-N 2 2 264.800 3.227 20 0 CGADLP C[NH+](C)CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000045663285 369283887 /nfs/dbraw/zinc/28/38/87/369283887.db2.gz QJHGJVULFZPQBR-QGZVFWFLSA-N 2 2 260.425 3.386 20 0 CGADLP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000045664144 369283891 /nfs/dbraw/zinc/28/38/91/369283891.db2.gz NICQDBKSKIFKQQ-MRXNPFEDSA-N 2 2 276.424 3.004 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495107678 244358122 /nfs/dbraw/zinc/35/81/22/244358122.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495107678 244358126 /nfs/dbraw/zinc/35/81/26/244358126.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495107678 244358132 /nfs/dbraw/zinc/35/81/32/244358132.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495107678 244358137 /nfs/dbraw/zinc/35/81/37/244358137.db2.gz JWOUKBFDDUKPSG-PBHICJAKSA-N 2 2 292.854 3.483 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049714271 369415353 /nfs/dbraw/zinc/41/53/53/369415353.db2.gz CJGKUELGTJBQDD-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049714271 369415358 /nfs/dbraw/zinc/41/53/58/369415358.db2.gz CJGKUELGTJBQDD-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC000051724604 369453520 /nfs/dbraw/zinc/45/35/20/369453520.db2.gz NFRRYEHZZHAIFU-CQSZACIVSA-N 2 2 264.413 3.054 20 0 CGADLP CCSCC[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000276157320 193229215 /nfs/dbraw/zinc/22/92/15/193229215.db2.gz FPGOLNMGECZDKR-HIFRSBDPSA-N 2 2 266.454 3.021 20 0 CGADLP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000053653036 369488250 /nfs/dbraw/zinc/48/82/50/369488250.db2.gz OPNAUEOFZBZUDT-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000053653036 369488253 /nfs/dbraw/zinc/48/82/53/369488253.db2.gz OPNAUEOFZBZUDT-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000062738567 369630493 /nfs/dbraw/zinc/63/04/93/369630493.db2.gz VFXINPJWCHJKOO-UHFFFAOYSA-N 2 2 263.772 3.271 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000063191875 369642334 /nfs/dbraw/zinc/64/23/34/369642334.db2.gz AHPDORFRGLYIEH-WFASDCNBSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000063191875 369642341 /nfs/dbraw/zinc/64/23/41/369642341.db2.gz AHPDORFRGLYIEH-WFASDCNBSA-N 2 2 264.438 3.110 20 0 CGADLP CC(C)C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000219271800 376198145 /nfs/dbraw/zinc/19/81/45/376198145.db2.gz OTTHDEJHUMZAJK-UHFFFAOYSA-N 2 2 275.440 3.322 20 0 CGADLP Cc1ncsc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000066566062 369697257 /nfs/dbraw/zinc/69/72/57/369697257.db2.gz ZRPIRXYXPPIBIT-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1ncsc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000066566062 369697262 /nfs/dbraw/zinc/69/72/62/369697262.db2.gz ZRPIRXYXPPIBIT-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422733766 296148966 /nfs/dbraw/zinc/14/89/66/296148966.db2.gz RPXYETVUQVOJCD-SUNKGSAMSA-N 2 2 286.341 3.497 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC000072858572 369840610 /nfs/dbraw/zinc/84/06/10/369840610.db2.gz LRGXTUMDSREVPV-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC000072858572 369840620 /nfs/dbraw/zinc/84/06/20/369840620.db2.gz LRGXTUMDSREVPV-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072858572 369840627 /nfs/dbraw/zinc/84/06/27/369840627.db2.gz LRGXTUMDSREVPV-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000072858572 369840633 /nfs/dbraw/zinc/84/06/33/369840633.db2.gz LRGXTUMDSREVPV-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP CCC[N@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000097862627 370255850 /nfs/dbraw/zinc/25/58/50/370255850.db2.gz ITTAZHSSLHXAEY-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000097862627 370255853 /nfs/dbraw/zinc/25/58/53/370255853.db2.gz ITTAZHSSLHXAEY-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000097928412 370257487 /nfs/dbraw/zinc/25/74/87/370257487.db2.gz OGAYQVPLNCIHHN-VXGBXAGGSA-N 2 2 278.362 3.181 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250239 245027112 /nfs/dbraw/zinc/02/71/12/245027112.db2.gz BRQIWGWVAOZNEE-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250239 245027119 /nfs/dbraw/zinc/02/71/19/245027119.db2.gz BRQIWGWVAOZNEE-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250239 245027124 /nfs/dbraw/zinc/02/71/24/245027124.db2.gz BRQIWGWVAOZNEE-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC000512250239 245027130 /nfs/dbraw/zinc/02/71/30/245027130.db2.gz BRQIWGWVAOZNEE-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP Cc1cccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000114184026 370493082 /nfs/dbraw/zinc/49/30/82/370493082.db2.gz GFGVNVXDTXJVPD-UHFFFAOYSA-N 2 2 299.393 3.241 20 0 CGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000114184026 370493084 /nfs/dbraw/zinc/49/30/84/370493084.db2.gz GFGVNVXDTXJVPD-UHFFFAOYSA-N 2 2 299.393 3.241 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cn1 ZINC000130675760 371052043 /nfs/dbraw/zinc/05/20/43/371052043.db2.gz BTKSAUQPTOYSGE-CQSZACIVSA-N 2 2 297.406 3.005 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130792656 371061109 /nfs/dbraw/zinc/06/11/09/371061109.db2.gz GQKVXPRDQYQKNB-WBVHZDCISA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130792656 371061115 /nfs/dbraw/zinc/06/11/15/371061115.db2.gz GQKVXPRDQYQKNB-WBVHZDCISA-N 2 2 290.451 3.294 20 0 CGADLP c1cn(CC[NH+]2CCC(CCc3ccccc3)CC2)c[nH+]1 ZINC000130942083 371071563 /nfs/dbraw/zinc/07/15/63/371071563.db2.gz SIUGMPDHTYBUCO-UHFFFAOYSA-N 2 2 283.419 3.228 20 0 CGADLP CC[N@H+](CCC1CCN(c2cccc[nH+]2)CC1)CC1CC1 ZINC000537823680 376203129 /nfs/dbraw/zinc/20/31/29/376203129.db2.gz MTDBJENNNFRPJW-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP CC[N@@H+](CCC1CCN(c2cccc[nH+]2)CC1)CC1CC1 ZINC000537823680 376203135 /nfs/dbraw/zinc/20/31/35/376203135.db2.gz MTDBJENNNFRPJW-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256515 371162364 /nfs/dbraw/zinc/16/23/64/371162364.db2.gz XKTKCNYGQLAVNW-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000132256515 371162371 /nfs/dbraw/zinc/16/23/71/371162371.db2.gz XKTKCNYGQLAVNW-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000421815007 371638901 /nfs/dbraw/zinc/63/89/01/371638901.db2.gz LGOQPPKDWPXXFO-GFCCVEGCSA-N 2 2 282.815 3.095 20 0 CGADLP C[N@@H+](Cc1ccccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000152408403 371691626 /nfs/dbraw/zinc/69/16/26/371691626.db2.gz JJJAUIHNDQLLCG-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP C[N@H+](Cc1ccccc1OC(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000152408403 371691637 /nfs/dbraw/zinc/69/16/37/371691637.db2.gz JJJAUIHNDQLLCG-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP C[NH+](Cc1ccccc1OC(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000152408403 371691650 /nfs/dbraw/zinc/69/16/50/371691650.db2.gz JJJAUIHNDQLLCG-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP C[NH+](Cc1ccccc1OC(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000152408403 371691656 /nfs/dbraw/zinc/69/16/56/371691656.db2.gz JJJAUIHNDQLLCG-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000337348627 214022173 /nfs/dbraw/zinc/02/21/73/214022173.db2.gz ZFTVRSXUYGDWDP-JFIYKMOQSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000337348627 214022174 /nfs/dbraw/zinc/02/21/74/214022174.db2.gz ZFTVRSXUYGDWDP-JFIYKMOQSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)s1 ZINC000422561292 371749129 /nfs/dbraw/zinc/74/91/29/371749129.db2.gz KLYJQNZSWBBBCA-UHFFFAOYSA-N 2 2 278.465 3.374 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000153098598 371750636 /nfs/dbraw/zinc/75/06/36/371750636.db2.gz QOOMZNMTUGOTOO-WMZOPIPTSA-N 2 2 290.451 3.086 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422709597 371761294 /nfs/dbraw/zinc/76/12/94/371761294.db2.gz ZKIMVAQZMFXWFV-QZTJIDSGSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422718673 371765916 /nfs/dbraw/zinc/76/59/16/371765916.db2.gz XGHCUEQXTPXOAF-XBFCOCLRSA-N 2 2 286.341 3.410 20 0 CGADLP CSCCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289613219 371773692 /nfs/dbraw/zinc/77/36/92/371773692.db2.gz JMNJQKAOVJCNLG-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP CSCCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289613219 371773696 /nfs/dbraw/zinc/77/36/96/371773696.db2.gz JMNJQKAOVJCNLG-UHFFFAOYSA-N 2 2 252.427 3.008 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153797460 371788891 /nfs/dbraw/zinc/78/88/91/371788891.db2.gz USTUJMKAEIIBEL-HOCLYGCPSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153797460 371788896 /nfs/dbraw/zinc/78/88/96/371788896.db2.gz USTUJMKAEIIBEL-HOCLYGCPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000422775091 371799244 /nfs/dbraw/zinc/79/92/44/371799244.db2.gz ZWRWTXHGZKLYLP-BZPMIXESSA-N 2 2 258.365 3.224 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153959046 371805020 /nfs/dbraw/zinc/80/50/20/371805020.db2.gz BDBOWSDMZKPIRY-HZPDHXFCSA-N 2 2 290.451 3.275 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422791185 371810519 /nfs/dbraw/zinc/81/05/19/371810519.db2.gz VPQHNDLHTFZOFY-GJZGRUSLSA-N 2 2 266.816 3.379 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])on1 ZINC000422794327 371813736 /nfs/dbraw/zinc/81/37/36/371813736.db2.gz YPPCOANGYYOVOX-LSDHHAIUSA-N 2 2 279.428 3.328 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422797148 371814811 /nfs/dbraw/zinc/81/48/11/371814811.db2.gz LEAUNHMKUVEAQI-FZKQIMNGSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813743 371827556 /nfs/dbraw/zinc/82/75/56/371827556.db2.gz ZSZLAADMYIYURC-COPLHBTASA-N 2 2 284.350 3.079 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344082546 217043037 /nfs/dbraw/zinc/04/30/37/217043037.db2.gz ZGESVEAJAUKWEO-SFHVURJKSA-N 2 2 290.451 3.086 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344082546 217043039 /nfs/dbraw/zinc/04/30/39/217043039.db2.gz ZGESVEAJAUKWEO-SFHVURJKSA-N 2 2 290.451 3.086 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422869926 371847205 /nfs/dbraw/zinc/84/72/05/371847205.db2.gz BCXJHAMZAKHEJV-BPUTZDHNSA-N 2 2 276.424 3.142 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422881244 371852034 /nfs/dbraw/zinc/85/20/34/371852034.db2.gz YKLUKXAZUBVQIA-OCCSQVGLSA-N 2 2 298.377 3.217 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154587077 371859030 /nfs/dbraw/zinc/85/90/30/371859030.db2.gz JOPYNBCYNVCIBI-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154587077 371859037 /nfs/dbraw/zinc/85/90/37/371859037.db2.gz JOPYNBCYNVCIBI-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cs1 ZINC000422912753 371864887 /nfs/dbraw/zinc/86/48/87/371864887.db2.gz NYILYDOARYCUJD-AVGNSLFASA-N 2 2 281.469 3.305 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919625 371870478 /nfs/dbraw/zinc/87/04/78/371870478.db2.gz KMQNLWOJKICTBR-NFAWXSAZSA-N 2 2 296.842 3.228 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000422844270 371837437 /nfs/dbraw/zinc/83/74/37/371837437.db2.gz LJFAHCGHNKCASM-KCPJHIHWSA-N 2 2 294.439 3.483 20 0 CGADLP CC[C@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH+]ccn1C ZINC000290068217 371893338 /nfs/dbraw/zinc/89/33/38/371893338.db2.gz FYDIROPTCMSPIN-ZDUSSCGKSA-N 2 2 256.353 3.256 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000422973419 371896461 /nfs/dbraw/zinc/89/64/61/371896461.db2.gz OMLXXGODJXFUNW-IAGOWNOFSA-N 2 2 297.402 3.103 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423029998 371925090 /nfs/dbraw/zinc/92/50/90/371925090.db2.gz AZWDUDSQJIVCPV-RKLWJJNISA-N 2 2 296.842 3.146 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423029992 371925288 /nfs/dbraw/zinc/92/52/88/371925288.db2.gz AZWDUDSQJIVCPV-APYUEPQZSA-N 2 2 296.842 3.146 20 0 CGADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290305429 371958616 /nfs/dbraw/zinc/95/86/16/371958616.db2.gz BQKBWWGJXGNOHV-INIZCTEOSA-N 2 2 280.375 3.312 20 0 CGADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290305429 371958624 /nfs/dbraw/zinc/95/86/24/371958624.db2.gz BQKBWWGJXGNOHV-INIZCTEOSA-N 2 2 280.375 3.312 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000290310196 371959753 /nfs/dbraw/zinc/95/97/53/371959753.db2.gz CCQVPBOWQHZWOF-HNNXBMFYSA-N 2 2 295.390 3.011 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000290310196 371959754 /nfs/dbraw/zinc/95/97/54/371959754.db2.gz CCQVPBOWQHZWOF-HNNXBMFYSA-N 2 2 295.390 3.011 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423171040 372001649 /nfs/dbraw/zinc/00/16/49/372001649.db2.gz NGCICZQMYBIPSL-XYHOJCAOSA-N 2 2 282.790 3.065 20 0 CGADLP c1cn(-c2csc(C[NH2+]CCc3ccccc3)c2)c[nH+]1 ZINC000344135688 217068895 /nfs/dbraw/zinc/06/88/95/217068895.db2.gz SRHCANSEKJVAHM-UHFFFAOYSA-N 2 2 283.400 3.266 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000290554276 372016609 /nfs/dbraw/zinc/01/66/09/372016609.db2.gz ZETLDVKVZYOQPX-IBGZPJMESA-N 2 2 298.430 3.426 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423396500 372060303 /nfs/dbraw/zinc/06/03/03/372060303.db2.gz RRILQYRNBPKTPZ-YJBOKZPZSA-N 2 2 268.404 3.282 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423208268 372030566 /nfs/dbraw/zinc/03/05/66/372030566.db2.gz SOMHPCBAYVYDEF-YJBOKZPZSA-N 2 2 296.414 3.278 20 0 CGADLP [NH3+][C@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)c2ccccc21 ZINC000423212315 372033567 /nfs/dbraw/zinc/03/35/67/372033567.db2.gz IBZVZRCKRWNFOP-DOTOQJQBSA-N 2 2 265.360 3.211 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423272339 372045574 /nfs/dbraw/zinc/04/55/74/372045574.db2.gz HVSYQELGDZGIHT-QWHCGFSZSA-N 2 2 282.840 3.204 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423267751 372045957 /nfs/dbraw/zinc/04/59/57/372045957.db2.gz FUENEAGFBULFRY-UONOGXRCSA-N 2 2 282.815 3.127 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423180591 372008778 /nfs/dbraw/zinc/00/87/78/372008778.db2.gz BEVVKVRSXAPLOS-VIFPVBQESA-N 2 2 261.196 3.254 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423181670 372010312 /nfs/dbraw/zinc/01/03/12/372010312.db2.gz GJDNUOQSKQXJHK-ZBFHGGJFSA-N 2 2 276.424 3.268 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000040671841 541868710 /nfs/dbraw/zinc/86/87/10/541868710.db2.gz QNXTZIATMXCGSM-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000040671841 541868712 /nfs/dbraw/zinc/86/87/12/541868712.db2.gz QNXTZIATMXCGSM-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccn1 ZINC000159325507 372130516 /nfs/dbraw/zinc/13/05/16/372130516.db2.gz DGWPJQIQENDFTN-OAHLLOKOSA-N 2 2 284.407 3.410 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000040672561 541869253 /nfs/dbraw/zinc/86/92/53/541869253.db2.gz GMQZNTRPUPKCMQ-YPMHNXCESA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000040672561 541869257 /nfs/dbraw/zinc/86/92/57/541869257.db2.gz GMQZNTRPUPKCMQ-YPMHNXCESA-N 2 2 252.427 3.110 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)[C@@H](C)[C@H]1OC ZINC000344301999 217141324 /nfs/dbraw/zinc/14/13/24/217141324.db2.gz VKHBEPXNTALOTR-DJIMGWMZSA-N 2 2 290.451 3.362 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428884240 372280072 /nfs/dbraw/zinc/28/00/72/372280072.db2.gz USXOCOISKDNFDL-UHFFFAOYSA-N 2 2 295.427 3.255 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428884240 372280078 /nfs/dbraw/zinc/28/00/78/372280078.db2.gz USXOCOISKDNFDL-UHFFFAOYSA-N 2 2 295.427 3.255 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000344357326 217165985 /nfs/dbraw/zinc/16/59/85/217165985.db2.gz NVZFLJLUPOYQKS-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@H+]1C ZINC000344357326 217165987 /nfs/dbraw/zinc/16/59/87/217165987.db2.gz NVZFLJLUPOYQKS-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)ccc1Cl ZINC000344341258 217159197 /nfs/dbraw/zinc/15/91/97/217159197.db2.gz BRYJGKWSEYVMCL-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)ccc1Cl ZINC000344341258 217159199 /nfs/dbraw/zinc/15/91/99/217159199.db2.gz BRYJGKWSEYVMCL-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP C[NH2+]C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000430938946 372408814 /nfs/dbraw/zinc/40/88/14/372408814.db2.gz DKXKYGLDEQGSQE-UHFFFAOYSA-N 2 2 290.451 3.047 20 0 CGADLP Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC000293578532 372416592 /nfs/dbraw/zinc/41/65/92/372416592.db2.gz NNGRSAZLGAVRRC-UHFFFAOYSA-N 2 2 294.826 3.010 20 0 CGADLP c1cn(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)c[nH+]1 ZINC000162877410 372431575 /nfs/dbraw/zinc/43/15/75/372431575.db2.gz XOWDKGIDWBALBV-UHFFFAOYSA-N 2 2 288.420 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@@H+]1C ZINC000293718485 372461581 /nfs/dbraw/zinc/46/15/81/372461581.db2.gz PJOSSEFDIZUKNV-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@H+]1C ZINC000293718485 372461585 /nfs/dbraw/zinc/46/15/85/372461585.db2.gz PJOSSEFDIZUKNV-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000163854975 372494805 /nfs/dbraw/zinc/49/48/05/372494805.db2.gz XONAAQNJJVMSMY-AWEZNQCLSA-N 2 2 287.411 3.012 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1cccnc1Cl)C[NH+]1CCCC1 ZINC000165290160 372547579 /nfs/dbraw/zinc/54/75/79/372547579.db2.gz NQAQNRKHFLHMCH-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+](Cc2ccccc2)C1 ZINC000344459842 217198292 /nfs/dbraw/zinc/19/82/92/217198292.db2.gz ICXCQZZYGUYTIC-FUHWJXTLSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+](Cc2ccccc2)C1 ZINC000344459842 217198295 /nfs/dbraw/zinc/19/82/95/217198295.db2.gz ICXCQZZYGUYTIC-FUHWJXTLSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288122 372570285 /nfs/dbraw/zinc/57/02/85/372570285.db2.gz SPEVDSDPPQGTSL-ZETOZRRWSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288122 372570291 /nfs/dbraw/zinc/57/02/91/372570291.db2.gz SPEVDSDPPQGTSL-ZETOZRRWSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000166303602 372570408 /nfs/dbraw/zinc/57/04/08/372570408.db2.gz ZRYCSDUMGJYKAR-SLBVQIDZSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@H+]1C1CC1 ZINC000166303602 372570411 /nfs/dbraw/zinc/57/04/11/372570411.db2.gz ZRYCSDUMGJYKAR-SLBVQIDZSA-N 2 2 262.441 3.170 20 0 CGADLP Fc1ccc(C[NH2+]CC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000167086931 372588137 /nfs/dbraw/zinc/58/81/37/372588137.db2.gz QQYSOXNACXTIAT-UHFFFAOYSA-N 2 2 290.304 3.030 20 0 CGADLP CCC[NH+](CCC)CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433782012 372629206 /nfs/dbraw/zinc/62/92/06/372629206.db2.gz HFRSYDRCQVLOGH-UHFFFAOYSA-N 2 2 289.427 3.142 20 0 CGADLP C([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCCCC1 ZINC000434793653 372711783 /nfs/dbraw/zinc/71/17/83/372711783.db2.gz LNZSCUNNNOYCDK-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCCCC1 ZINC000434793653 372711790 /nfs/dbraw/zinc/71/17/90/372711790.db2.gz LNZSCUNNNOYCDK-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434797606 372714506 /nfs/dbraw/zinc/71/45/06/372714506.db2.gz ZFJVRILSCMADQZ-JXCVUKRWSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434797606 372714511 /nfs/dbraw/zinc/71/45/11/372714511.db2.gz ZFJVRILSCMADQZ-JXCVUKRWSA-N 2 2 288.410 3.445 20 0 CGADLP CCCCc1nc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435623766 372786813 /nfs/dbraw/zinc/78/68/13/372786813.db2.gz DHKFKIZBNDPSRW-HNNXBMFYSA-N 2 2 295.496 3.450 20 0 CGADLP CCCCc1nc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435623766 372786818 /nfs/dbraw/zinc/78/68/18/372786818.db2.gz DHKFKIZBNDPSRW-HNNXBMFYSA-N 2 2 295.496 3.450 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)o2)cc1 ZINC000435624311 372787323 /nfs/dbraw/zinc/78/73/23/372787323.db2.gz IXJWBGRTPVRIRY-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)o2)cc1 ZINC000435624311 372787341 /nfs/dbraw/zinc/78/73/41/372787341.db2.gz IXJWBGRTPVRIRY-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP C[N@H+](Cc1csc(C2CCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435620642 372787511 /nfs/dbraw/zinc/78/75/11/372787511.db2.gz DVJULHQVYWPSPP-OAHLLOKOSA-N 2 2 293.480 3.375 20 0 CGADLP C[N@@H+](Cc1csc(C2CCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435620642 372787523 /nfs/dbraw/zinc/78/75/23/372787523.db2.gz DVJULHQVYWPSPP-OAHLLOKOSA-N 2 2 293.480 3.375 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)C2Cc3ccccc3C2)c[nH+]1 ZINC000353448099 220087664 /nfs/dbraw/zinc/08/76/64/220087664.db2.gz JKFKORWGXZKTCW-UHFFFAOYSA-N 2 2 280.415 3.422 20 0 CGADLP Cc1ccc(CCC[N@H+](C)C2Cc3ccccc3C2)c[nH+]1 ZINC000353448099 220087666 /nfs/dbraw/zinc/08/76/66/220087666.db2.gz JKFKORWGXZKTCW-UHFFFAOYSA-N 2 2 280.415 3.422 20 0 CGADLP CSCC1CCC([NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000295693197 372879400 /nfs/dbraw/zinc/87/94/00/372879400.db2.gz LWUMBAYVUPCHEC-UHFFFAOYSA-N 2 2 278.465 3.444 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)s1 ZINC000171942718 372862529 /nfs/dbraw/zinc/86/25/29/372862529.db2.gz MBRLARSWAKUOSN-UHFFFAOYSA-N 2 2 275.421 3.399 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C)c1 ZINC000353512460 220127291 /nfs/dbraw/zinc/12/72/91/220127291.db2.gz CTQZJMZXSGUSQA-DLBZAZTESA-N 2 2 292.492 3.473 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535128 220141932 /nfs/dbraw/zinc/14/19/32/220141932.db2.gz JZXDKIDGZNGTPA-ZWKOTPCHSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535128 220141935 /nfs/dbraw/zinc/14/19/35/220141935.db2.gz JZXDKIDGZNGTPA-ZWKOTPCHSA-N 2 2 288.410 3.445 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353528775 220139483 /nfs/dbraw/zinc/13/94/83/220139483.db2.gz HZUZROHTDKWAIK-WMZOPIPTSA-N 2 2 290.451 3.004 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000344824815 217322575 /nfs/dbraw/zinc/32/25/75/217322575.db2.gz KHYFPULZVHJBOU-ZDUSSCGKSA-N 2 2 284.831 3.391 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000344824815 217322578 /nfs/dbraw/zinc/32/25/78/217322578.db2.gz KHYFPULZVHJBOU-ZDUSSCGKSA-N 2 2 284.831 3.391 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344839524 217328537 /nfs/dbraw/zinc/32/85/37/217328537.db2.gz PTEJUWGTFPYZFB-MAUKXSAKSA-N 2 2 289.467 3.107 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344839524 217328540 /nfs/dbraw/zinc/32/85/40/217328540.db2.gz PTEJUWGTFPYZFB-MAUKXSAKSA-N 2 2 289.467 3.107 20 0 CGADLP CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391456 373305814 /nfs/dbraw/zinc/30/58/14/373305814.db2.gz APZOJXPJDWEILV-UHFFFAOYSA-N 2 2 261.413 3.030 20 0 CGADLP CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391456 373305822 /nfs/dbraw/zinc/30/58/22/373305822.db2.gz APZOJXPJDWEILV-UHFFFAOYSA-N 2 2 261.413 3.030 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624124 220200333 /nfs/dbraw/zinc/20/03/33/220200333.db2.gz MRQCBEMVXVFGIK-SJLPKXTDSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624124 220200338 /nfs/dbraw/zinc/20/03/38/220200338.db2.gz MRQCBEMVXVFGIK-SJLPKXTDSA-N 2 2 290.451 3.458 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1(C)C ZINC000447593334 373461143 /nfs/dbraw/zinc/46/11/43/373461143.db2.gz REOHFXQABKSXHA-IXDOHACOSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1(C)C ZINC000447593334 373461150 /nfs/dbraw/zinc/46/11/50/373461150.db2.gz REOHFXQABKSXHA-IXDOHACOSA-N 2 2 294.483 3.185 20 0 CGADLP COc1cccc2c(NCC3([NH+](C)C)CCC3)c(C)c[nH+]c12 ZINC000345044289 217395198 /nfs/dbraw/zinc/39/51/98/217395198.db2.gz NRHHEUSPLUZAQX-UHFFFAOYSA-N 2 2 299.418 3.448 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657757 220229782 /nfs/dbraw/zinc/22/97/82/220229782.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657757 220229786 /nfs/dbraw/zinc/22/97/86/220229786.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657757 220229790 /nfs/dbraw/zinc/22/97/90/220229790.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657757 220229794 /nfs/dbraw/zinc/22/97/94/220229794.db2.gz HICDXNPFMJNYBP-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301239877 373706673 /nfs/dbraw/zinc/70/66/73/373706673.db2.gz LYLSINSNIVQNDM-OKILXGFUSA-N 2 2 288.439 3.134 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301239877 373706683 /nfs/dbraw/zinc/70/66/83/373706683.db2.gz LYLSINSNIVQNDM-OKILXGFUSA-N 2 2 288.439 3.134 20 0 CGADLP Fc1ccc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)cc1Cl ZINC000449448116 373729768 /nfs/dbraw/zinc/72/97/68/373729768.db2.gz FCWRTPYNWJAIBO-AWEZNQCLSA-N 2 2 279.746 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@H](C)[C@H]2C)c[nH+]1 ZINC000353659309 220234557 /nfs/dbraw/zinc/23/45/57/220234557.db2.gz RDDOSFMCXGNNFV-ZIAGYGMSSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@H](C)[C@H]2C)c[nH+]1 ZINC000353659309 220234560 /nfs/dbraw/zinc/23/45/60/220234560.db2.gz RDDOSFMCXGNNFV-ZIAGYGMSSA-N 2 2 264.438 3.148 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000178258256 373757527 /nfs/dbraw/zinc/75/75/27/373757527.db2.gz SPBXLUTVSWHZEC-ZDUSSCGKSA-N 2 2 276.424 3.367 20 0 CGADLP C[N@H+](CCc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179797062 373919509 /nfs/dbraw/zinc/91/95/09/373919509.db2.gz QHEBXZQTUHHDGZ-UHFFFAOYSA-N 2 2 283.350 3.148 20 0 CGADLP C[N@@H+](CCc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179797062 373919517 /nfs/dbraw/zinc/91/95/17/373919517.db2.gz QHEBXZQTUHHDGZ-UHFFFAOYSA-N 2 2 283.350 3.148 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000289496587 197377986 /nfs/dbraw/zinc/37/79/86/197377986.db2.gz DBBBOQOPZNPIKR-AWEZNQCLSA-N 2 2 275.421 3.034 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000289496587 197377988 /nfs/dbraw/zinc/37/79/88/197377988.db2.gz DBBBOQOPZNPIKR-AWEZNQCLSA-N 2 2 275.421 3.034 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000311140651 374232850 /nfs/dbraw/zinc/23/28/50/374232850.db2.gz GBXQBOURFMEFAR-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000311140651 374232858 /nfs/dbraw/zinc/23/28/58/374232858.db2.gz GBXQBOURFMEFAR-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+](C)C ZINC000310859840 374226806 /nfs/dbraw/zinc/22/68/06/374226806.db2.gz NRCOKVQKIRCZMI-QWRGUYRKSA-N 2 2 272.795 3.327 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1Cl)C[NH+](C)C ZINC000310859838 374228027 /nfs/dbraw/zinc/22/80/27/374228027.db2.gz NRCOKVQKIRCZMI-MNOVXSKESA-N 2 2 272.795 3.327 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000314131931 374312997 /nfs/dbraw/zinc/31/29/97/374312997.db2.gz KKOMYGQWJTYIEB-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000314131931 374313003 /nfs/dbraw/zinc/31/30/03/374313003.db2.gz KKOMYGQWJTYIEB-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000315319917 374328332 /nfs/dbraw/zinc/32/83/32/374328332.db2.gz LXNDXIBAELVHFW-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000315395557 374328913 /nfs/dbraw/zinc/32/89/13/374328913.db2.gz FWTIIYKVEKSINH-CYBMUJFWSA-N 2 2 299.349 3.461 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2sccc21 ZINC000453066182 374362770 /nfs/dbraw/zinc/36/27/70/374362770.db2.gz IEQQAVIJVSHYDX-MBNYWOFBSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2sccc21 ZINC000453066182 374362781 /nfs/dbraw/zinc/36/27/81/374362781.db2.gz IEQQAVIJVSHYDX-MBNYWOFBSA-N 2 2 264.438 3.370 20 0 CGADLP [NH3+]C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000334140067 206050039 /nfs/dbraw/zinc/05/00/39/206050039.db2.gz COEKWUAFEXBFSZ-UHFFFAOYSA-N 2 2 264.756 3.009 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000321510035 374353046 /nfs/dbraw/zinc/35/30/46/374353046.db2.gz HSYVMVFNDLFGFW-UHFFFAOYSA-N 2 2 284.403 3.342 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000183278103 374396153 /nfs/dbraw/zinc/39/61/53/374396153.db2.gz UOSWZSBSNDJIJB-AVGNSLFASA-N 2 2 282.378 3.488 20 0 CGADLP CC1(C)C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000453574806 374476764 /nfs/dbraw/zinc/47/67/64/374476764.db2.gz COUPEBNQYRKXGO-MRXNPFEDSA-N 2 2 299.418 3.167 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cc(O)cc(F)c1)C1CCCCC1 ZINC000184140532 374496986 /nfs/dbraw/zinc/49/69/86/374496986.db2.gz VJVAZXHKZSXNAM-UHFFFAOYSA-N 2 2 294.414 3.276 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cc(O)cc(F)c1)C1CCCCC1 ZINC000184140532 374496990 /nfs/dbraw/zinc/49/69/90/374496990.db2.gz VJVAZXHKZSXNAM-UHFFFAOYSA-N 2 2 294.414 3.276 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1nccs1 ZINC000184513544 374534334 /nfs/dbraw/zinc/53/43/34/374534334.db2.gz IDWDFDDANSUNCR-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000184730415 374554121 /nfs/dbraw/zinc/55/41/21/374554121.db2.gz ZGOVLTNYDIDLCI-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000184730415 374554129 /nfs/dbraw/zinc/55/41/29/374554129.db2.gz ZGOVLTNYDIDLCI-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000184729305 374555402 /nfs/dbraw/zinc/55/54/02/374555402.db2.gz BINVOPHOTSKFRE-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000184729305 374555405 /nfs/dbraw/zinc/55/54/05/374555405.db2.gz BINVOPHOTSKFRE-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP CSCCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185164594 374599304 /nfs/dbraw/zinc/59/93/04/374599304.db2.gz XUCRSGZNLITREJ-UHFFFAOYSA-N 2 2 289.448 3.495 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000334380715 374699036 /nfs/dbraw/zinc/69/90/36/374699036.db2.gz ISWKQDHJKIALCU-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000334380715 374699042 /nfs/dbraw/zinc/69/90/42/374699042.db2.gz ISWKQDHJKIALCU-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000334235531 206234349 /nfs/dbraw/zinc/23/43/49/206234349.db2.gz KJWRKBRANFXYIF-MRXNPFEDSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000334235531 206234354 /nfs/dbraw/zinc/23/43/54/206234354.db2.gz KJWRKBRANFXYIF-MRXNPFEDSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000334235531 206234355 /nfs/dbraw/zinc/23/43/55/206234355.db2.gz KJWRKBRANFXYIF-MRXNPFEDSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000334235531 206234359 /nfs/dbraw/zinc/23/43/59/206234359.db2.gz KJWRKBRANFXYIF-MRXNPFEDSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@H]([NH2+]C1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186327630 374833368 /nfs/dbraw/zinc/83/33/68/374833368.db2.gz AAXPTDHWUGLQAK-XJKSGUPXSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186328409 374833669 /nfs/dbraw/zinc/83/36/69/374833669.db2.gz AYVGFOFFYCFUJI-OHFALNGGSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000334686423 374974741 /nfs/dbraw/zinc/97/47/41/374974741.db2.gz MLVUJRXWNDYXGR-ZFWWWQNUSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000334686423 374974748 /nfs/dbraw/zinc/97/47/48/374974748.db2.gz MLVUJRXWNDYXGR-ZFWWWQNUSA-N 2 2 269.392 3.235 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000484501468 375188429 /nfs/dbraw/zinc/18/84/29/375188429.db2.gz DTBBSJYYGYRPKM-XRGAULLZSA-N 2 2 252.446 3.274 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000484501468 375188434 /nfs/dbraw/zinc/18/84/34/375188434.db2.gz DTBBSJYYGYRPKM-XRGAULLZSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195875 291614962 /nfs/dbraw/zinc/61/49/62/291614962.db2.gz UDAYEKJJOZTWCQ-QWHCGFSZSA-N 2 2 258.365 3.144 20 0 CGADLP CC(C)[NH2+]C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335477561 375320531 /nfs/dbraw/zinc/32/05/31/375320531.db2.gz PRIJPIXOOLOILZ-UHFFFAOYSA-N 2 2 287.382 3.341 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1Cl ZINC000189296360 375359679 /nfs/dbraw/zinc/35/96/79/375359679.db2.gz RLSPKVFQXNTDQU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1Cl ZINC000189296360 375359682 /nfs/dbraw/zinc/35/96/82/375359682.db2.gz RLSPKVFQXNTDQU-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CCc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000189521177 375402047 /nfs/dbraw/zinc/40/20/47/375402047.db2.gz VXUOENLMFMZRMS-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)O1 ZINC000190957116 375555752 /nfs/dbraw/zinc/55/57/52/375555752.db2.gz YHDLNNTWCRYJSV-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC000190957116 375555759 /nfs/dbraw/zinc/55/57/59/375555759.db2.gz YHDLNNTWCRYJSV-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000336056275 375650588 /nfs/dbraw/zinc/65/05/88/375650588.db2.gz AWUNPSNAIDFYFI-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564218 296232307 /nfs/dbraw/zinc/23/23/07/296232307.db2.gz XPDJPKKIOOWUGI-SMDDNHRTSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261564218 296232308 /nfs/dbraw/zinc/23/23/08/296232308.db2.gz XPDJPKKIOOWUGI-SMDDNHRTSA-N 2 2 297.240 3.181 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000192056078 375693938 /nfs/dbraw/zinc/69/39/38/375693938.db2.gz HZMLGHIKJZEKGR-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000192056078 375693943 /nfs/dbraw/zinc/69/39/43/375693943.db2.gz HZMLGHIKJZEKGR-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000192056078 375693945 /nfs/dbraw/zinc/69/39/45/375693945.db2.gz HZMLGHIKJZEKGR-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000192056078 375693952 /nfs/dbraw/zinc/69/39/52/375693952.db2.gz HZMLGHIKJZEKGR-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCO1 ZINC000192179399 375708696 /nfs/dbraw/zinc/70/86/96/375708696.db2.gz QVJWIVKCIWUHNE-QZTJIDSGSA-N 2 2 299.418 3.228 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336540633 375818321 /nfs/dbraw/zinc/81/83/21/375818321.db2.gz DGGSSSLKHNOSIC-MRXNPFEDSA-N 2 2 289.398 3.223 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336540633 375818324 /nfs/dbraw/zinc/81/83/24/375818324.db2.gz DGGSSSLKHNOSIC-MRXNPFEDSA-N 2 2 289.398 3.223 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000193232686 375844354 /nfs/dbraw/zinc/84/43/54/375844354.db2.gz DPLTXQWABSBODO-QGZVFWFLSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000193232686 375844359 /nfs/dbraw/zinc/84/43/59/375844359.db2.gz DPLTXQWABSBODO-QGZVFWFLSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000519589398 375848202 /nfs/dbraw/zinc/84/82/02/375848202.db2.gz LFJLQGKTQUUWDH-INIZCTEOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000519589398 375848207 /nfs/dbraw/zinc/84/82/07/375848207.db2.gz LFJLQGKTQUUWDH-INIZCTEOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1cc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655376 375894870 /nfs/dbraw/zinc/89/48/70/375894870.db2.gz JLZBYRHNYQBJCO-WBVHZDCISA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655376 375894875 /nfs/dbraw/zinc/89/48/75/375894875.db2.gz JLZBYRHNYQBJCO-WBVHZDCISA-N 2 2 296.418 3.108 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000534309171 375970403 /nfs/dbraw/zinc/97/04/03/375970403.db2.gz ULGGDACVWPYCTJ-YOEHRIQHSA-N 2 2 299.393 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000534309171 375970406 /nfs/dbraw/zinc/97/04/06/375970406.db2.gz ULGGDACVWPYCTJ-YOEHRIQHSA-N 2 2 299.393 3.426 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336723804 375920361 /nfs/dbraw/zinc/92/03/61/375920361.db2.gz WOJMQEYICLGRMY-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336723804 375920366 /nfs/dbraw/zinc/92/03/66/375920366.db2.gz WOJMQEYICLGRMY-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC000336892609 376023162 /nfs/dbraw/zinc/02/31/62/376023162.db2.gz SAJCCOGWRTXQLM-MRXNPFEDSA-N 2 2 274.433 3.449 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CCCC2 ZINC000336904340 376027347 /nfs/dbraw/zinc/02/73/47/376027347.db2.gz WAAKICKWFGVQAT-HNNXBMFYSA-N 2 2 250.430 3.175 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000535688978 376047755 /nfs/dbraw/zinc/04/77/55/376047755.db2.gz CIZZHJJWWACYGN-QGZVFWFLSA-N 2 2 295.430 3.316 20 0 CGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cscn1 ZINC000535777781 376057096 /nfs/dbraw/zinc/05/70/96/376057096.db2.gz DMMIVXXKFAVSKO-WCQYABFASA-N 2 2 269.458 3.160 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989915 376154648 /nfs/dbraw/zinc/15/46/48/376154648.db2.gz CNOASWVSVHYHKP-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989915 376154655 /nfs/dbraw/zinc/15/46/55/376154655.db2.gz CNOASWVSVHYHKP-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989966 376154720 /nfs/dbraw/zinc/15/47/20/376154720.db2.gz CNOASWVSVHYHKP-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000215989966 376154724 /nfs/dbraw/zinc/15/47/24/376154724.db2.gz CNOASWVSVHYHKP-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000337401095 376218863 /nfs/dbraw/zinc/21/88/63/376218863.db2.gz PPPQPXAYGUUSPB-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000538062669 376218909 /nfs/dbraw/zinc/21/89/09/376218909.db2.gz UAHOJTDAAQBEFE-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000538062669 376218912 /nfs/dbraw/zinc/21/89/12/376218912.db2.gz UAHOJTDAAQBEFE-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)ccc1F ZINC000538101396 376221804 /nfs/dbraw/zinc/22/18/04/376221804.db2.gz XZVQDOCJSKDFRV-DOTOQJQBSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000538101396 376221811 /nfs/dbraw/zinc/22/18/11/376221811.db2.gz XZVQDOCJSKDFRV-DOTOQJQBSA-N 2 2 276.399 3.269 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000222032380 376227928 /nfs/dbraw/zinc/22/79/28/376227928.db2.gz WDAGEIBJHIMRNE-INIZCTEOSA-N 2 2 273.424 3.234 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000226316240 376352570 /nfs/dbraw/zinc/35/25/70/376352570.db2.gz SIHPAZMZVTYLEI-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000226316240 376352578 /nfs/dbraw/zinc/35/25/78/376352578.db2.gz SIHPAZMZVTYLEI-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000225302917 376301482 /nfs/dbraw/zinc/30/14/82/376301482.db2.gz FSEWKNOUYVEIRH-UHFFFAOYSA-N 2 2 287.860 3.008 20 0 CGADLP CC(C)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000227832177 376413001 /nfs/dbraw/zinc/41/30/01/376413001.db2.gz GGLVQFDYPJHISA-UHFFFAOYSA-N 2 2 269.392 3.398 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753222 376394455 /nfs/dbraw/zinc/39/44/55/376394455.db2.gz CJBIOIMKSYKBLM-WMLDXEAASA-N 2 2 270.420 3.354 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753222 376394458 /nfs/dbraw/zinc/39/44/58/376394458.db2.gz CJBIOIMKSYKBLM-WMLDXEAASA-N 2 2 270.420 3.354 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232608630 376585847 /nfs/dbraw/zinc/58/58/47/376585847.db2.gz LFNANLCACCTZJG-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232608630 376585857 /nfs/dbraw/zinc/58/58/57/376585857.db2.gz LFNANLCACCTZJG-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576516 376656605 /nfs/dbraw/zinc/65/66/05/376656605.db2.gz JQXRYNKWJIMYKW-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576516 376656619 /nfs/dbraw/zinc/65/66/19/376656619.db2.gz JQXRYNKWJIMYKW-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576516 376656624 /nfs/dbraw/zinc/65/66/24/376656624.db2.gz JQXRYNKWJIMYKW-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576516 376656634 /nfs/dbraw/zinc/65/66/34/376656634.db2.gz JQXRYNKWJIMYKW-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237516056 376747805 /nfs/dbraw/zinc/74/78/05/376747805.db2.gz YDRNDQISYBMUQD-MRXNPFEDSA-N 2 2 295.430 3.444 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000245747059 376897409 /nfs/dbraw/zinc/89/74/09/376897409.db2.gz GTSWLQFAXDVPJY-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000245747059 376897417 /nfs/dbraw/zinc/89/74/17/376897417.db2.gz GTSWLQFAXDVPJY-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000556602502 376864146 /nfs/dbraw/zinc/86/41/46/376864146.db2.gz PDPDPBJJIACMEX-PBHICJAKSA-N 2 2 278.440 3.322 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688674 376880839 /nfs/dbraw/zinc/88/08/39/376880839.db2.gz ANRVJVDQMYLZAL-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688674 376880848 /nfs/dbraw/zinc/88/08/48/376880848.db2.gz ANRVJVDQMYLZAL-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688674 376880858 /nfs/dbraw/zinc/88/08/58/376880858.db2.gz ANRVJVDQMYLZAL-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688674 376880862 /nfs/dbraw/zinc/88/08/62/376880862.db2.gz ANRVJVDQMYLZAL-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000556869495 376895168 /nfs/dbraw/zinc/89/51/68/376895168.db2.gz IYTRDJKLSAMFAJ-KBPBESRZSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000556869495 376895175 /nfs/dbraw/zinc/89/51/75/376895175.db2.gz IYTRDJKLSAMFAJ-KBPBESRZSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257743 376925930 /nfs/dbraw/zinc/92/59/30/376925930.db2.gz OOZPDARBBONNJY-XFBWCDHKSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257743 376925941 /nfs/dbraw/zinc/92/59/41/376925941.db2.gz OOZPDARBBONNJY-XFBWCDHKSA-N 2 2 278.827 3.331 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@H+](CC)C[C@@H]2C)c[nH+]1 ZINC000245935147 376938452 /nfs/dbraw/zinc/93/84/52/376938452.db2.gz WSJMSEMOVFVJLN-HOCLYGCPSA-N 2 2 290.455 3.070 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)c[nH+]1 ZINC000245935147 376938454 /nfs/dbraw/zinc/93/84/54/376938454.db2.gz WSJMSEMOVFVJLN-HOCLYGCPSA-N 2 2 290.455 3.070 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000340387945 377031293 /nfs/dbraw/zinc/03/12/93/377031293.db2.gz CMOAOEUAQGATLC-DTZQCDIJSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000340387945 377031302 /nfs/dbraw/zinc/03/13/02/377031302.db2.gz CMOAOEUAQGATLC-DTZQCDIJSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340391644 377032437 /nfs/dbraw/zinc/03/24/37/377032437.db2.gz IACYKYBJVVBXRI-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340391644 377032449 /nfs/dbraw/zinc/03/24/49/377032449.db2.gz IACYKYBJVVBXRI-FZCLSBEQSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+]1CCCC[C@H]1C ZINC000558696755 377033736 /nfs/dbraw/zinc/03/37/36/377033736.db2.gz BLXXJBDTTCGFSH-LJIZCISZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+]1CCCC[C@H]1C ZINC000558696755 377033742 /nfs/dbraw/zinc/03/37/42/377033742.db2.gz BLXXJBDTTCGFSH-LJIZCISZSA-N 2 2 250.430 3.028 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000558698961 377035446 /nfs/dbraw/zinc/03/54/46/377035446.db2.gz OEGHFIBFVOFJKX-HUUCEWRRSA-N 2 2 267.392 3.171 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000558472076 377011552 /nfs/dbraw/zinc/01/15/52/377011552.db2.gz SIYJTHLCZHPGGZ-QTUASDBPSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000558472076 377011555 /nfs/dbraw/zinc/01/15/55/377011555.db2.gz SIYJTHLCZHPGGZ-QTUASDBPSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1F ZINC000340473238 377083389 /nfs/dbraw/zinc/08/33/89/377083389.db2.gz NQOQCOJEIBFFSF-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1F ZINC000340480586 377090743 /nfs/dbraw/zinc/09/07/43/377090743.db2.gz SITKDVUPGHDDQA-WFASDCNBSA-N 2 2 281.419 3.238 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000559893909 377105663 /nfs/dbraw/zinc/10/56/63/377105663.db2.gz PZUHAFXPBUSARL-NVXWUHKLSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000559893909 377105674 /nfs/dbraw/zinc/10/56/74/377105674.db2.gz PZUHAFXPBUSARL-NVXWUHKLSA-N 2 2 272.436 3.285 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000561267631 377217072 /nfs/dbraw/zinc/21/70/72/377217072.db2.gz OOKSYFREMDXZEE-VXGBXAGGSA-N 2 2 295.390 3.041 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000562042156 377269144 /nfs/dbraw/zinc/26/91/44/377269144.db2.gz VELYROQWOGIMRY-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000562042156 377269147 /nfs/dbraw/zinc/26/91/47/377269147.db2.gz VELYROQWOGIMRY-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP c1[nH]c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341218107 377451261 /nfs/dbraw/zinc/45/12/61/377451261.db2.gz OLUFSZVQCHLDFT-GOSISDBHSA-N 2 2 293.370 3.320 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087758731 249024780 /nfs/dbraw/zinc/02/47/80/249024780.db2.gz FKPLSZCPNDJVTP-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087758731 249024782 /nfs/dbraw/zinc/02/47/82/249024782.db2.gz FKPLSZCPNDJVTP-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCC23CCCCC3)c[nH+]1 ZINC000313010589 249084087 /nfs/dbraw/zinc/08/40/87/249084087.db2.gz KXHOEBYOSWKMNS-OAHLLOKOSA-N 2 2 261.413 3.366 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2c(c1)CCCC2 ZINC000313265263 249089618 /nfs/dbraw/zinc/08/96/18/249089618.db2.gz HBRCZFLNRCTWLQ-AWEZNQCLSA-N 2 2 283.419 3.192 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000313261398 249089653 /nfs/dbraw/zinc/08/96/53/249089653.db2.gz AIABXATUKDYYHQ-ROUUACIJSA-N 2 2 283.419 3.279 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CC(C)(C)CC(C)(C)C2)c1 ZINC000313254564 249090362 /nfs/dbraw/zinc/09/03/62/249090362.db2.gz PKHRWJRFJUEEEM-UHFFFAOYSA-N 2 2 263.429 3.157 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccsc2Cl)CCCCC1 ZINC000312749651 249082498 /nfs/dbraw/zinc/08/24/98/249082498.db2.gz UGECWSNZNONULF-UHFFFAOYSA-N 2 2 258.818 3.153 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250369804 377558657 /nfs/dbraw/zinc/55/86/57/377558657.db2.gz SWWZSPGIDVTPPG-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250369804 377558663 /nfs/dbraw/zinc/55/86/63/377558663.db2.gz SWWZSPGIDVTPPG-STQMWFEESA-N 2 2 293.480 3.157 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCCC2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000573711600 377566972 /nfs/dbraw/zinc/56/69/72/377566972.db2.gz RMQNXACUXUACEB-QZTJIDSGSA-N 2 2 288.435 3.268 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000516117341 249226132 /nfs/dbraw/zinc/22/61/32/249226132.db2.gz BICLIMYUCKGWDP-DZGCQCFKSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000516117341 249226133 /nfs/dbraw/zinc/22/61/33/249226133.db2.gz BICLIMYUCKGWDP-DZGCQCFKSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000516117341 249226134 /nfs/dbraw/zinc/22/61/34/249226134.db2.gz BICLIMYUCKGWDP-DZGCQCFKSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000516117341 249226135 /nfs/dbraw/zinc/22/61/35/249226135.db2.gz BICLIMYUCKGWDP-DZGCQCFKSA-N 2 2 295.496 3.114 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251832899 377601349 /nfs/dbraw/zinc/60/13/49/377601349.db2.gz PSGSWUFLFTZNEU-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251832899 377601354 /nfs/dbraw/zinc/60/13/54/377601354.db2.gz PSGSWUFLFTZNEU-UHIISALHSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252708964 377652543 /nfs/dbraw/zinc/65/25/43/377652543.db2.gz BOQWNUIUWHKKME-VYDXJSESSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252708964 377652550 /nfs/dbraw/zinc/65/25/50/377652550.db2.gz BOQWNUIUWHKKME-VYDXJSESSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342668601 377721632 /nfs/dbraw/zinc/72/16/32/377721632.db2.gz OPTXKHNKDNAKGB-DJIMGWMZSA-N 2 2 299.418 3.107 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)cc2)CC[N@@H+]1C ZINC000255335057 377751651 /nfs/dbraw/zinc/75/16/51/377751651.db2.gz IQUABCUQOYRSTH-DSLFPGPSSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(F)cc2)CC[N@H+]1C ZINC000255335057 377751660 /nfs/dbraw/zinc/75/16/60/377751660.db2.gz IQUABCUQOYRSTH-DSLFPGPSSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(F)cc2)CC[NH+]1C ZINC000255335057 377751668 /nfs/dbraw/zinc/75/16/68/377751668.db2.gz IQUABCUQOYRSTH-DSLFPGPSSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(F)cc2)CC[NH+]1C ZINC000255335057 377751674 /nfs/dbraw/zinc/75/16/74/377751674.db2.gz IQUABCUQOYRSTH-DSLFPGPSSA-N 2 2 276.399 3.253 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000261578431 377820029 /nfs/dbraw/zinc/82/00/29/377820029.db2.gz OYTAQUAZWAHFHB-UHFFFAOYSA-N 2 2 266.454 3.229 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262066687 377885227 /nfs/dbraw/zinc/88/52/27/377885227.db2.gz FOHOWBGZTWARFT-CVEARBPZSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262066687 377885239 /nfs/dbraw/zinc/88/52/39/377885239.db2.gz FOHOWBGZTWARFT-CVEARBPZSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262098504 377886236 /nfs/dbraw/zinc/88/62/36/377886236.db2.gz VIRFIMPZWQHEGZ-KSSFIOAISA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262098504 377886240 /nfs/dbraw/zinc/88/62/40/377886240.db2.gz VIRFIMPZWQHEGZ-KSSFIOAISA-N 2 2 296.414 3.141 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)C[C@@H]1[NH3+] ZINC000262141174 377888334 /nfs/dbraw/zinc/88/83/34/377888334.db2.gz ZDFNMGFWOODYNJ-YJBOKZPZSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)C[C@@H]1[NH3+] ZINC000262141174 377888341 /nfs/dbraw/zinc/88/83/41/377888341.db2.gz ZDFNMGFWOODYNJ-YJBOKZPZSA-N 2 2 296.414 3.045 20 0 CGADLP CCc1nc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000262223763 377891854 /nfs/dbraw/zinc/89/18/54/377891854.db2.gz MZGKQISTLHAQGD-OLZOCXBDSA-N 2 2 281.469 3.106 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000261778121 377852786 /nfs/dbraw/zinc/85/27/86/377852786.db2.gz FHGLNZBSUCBTRK-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)c1cccc(Cl)c1 ZINC000261778121 377852790 /nfs/dbraw/zinc/85/27/90/377852790.db2.gz FHGLNZBSUCBTRK-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)n1C ZINC000578907803 378112449 /nfs/dbraw/zinc/11/24/49/378112449.db2.gz CIQVTJGSLXTNOX-CHWSQXEVSA-N 2 2 257.381 3.010 20 0 CGADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1c[nH+]ccc1N ZINC000579822665 378198481 /nfs/dbraw/zinc/19/84/81/378198481.db2.gz GEESFWYEIBGWCG-GMXVVIOVSA-N 2 2 271.364 3.061 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000579400813 378156824 /nfs/dbraw/zinc/15/68/24/378156824.db2.gz NDAHYJJUDFOSTJ-CPUCHLNUSA-N 2 2 258.409 3.166 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000579400813 378156831 /nfs/dbraw/zinc/15/68/31/378156831.db2.gz NDAHYJJUDFOSTJ-CPUCHLNUSA-N 2 2 258.409 3.166 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccnc1Cl ZINC000269047182 378180234 /nfs/dbraw/zinc/18/02/34/378180234.db2.gz VEOYQMVCNOHCCW-GFCCVEGCSA-N 2 2 293.842 3.403 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000581111140 378278014 /nfs/dbraw/zinc/27/80/14/378278014.db2.gz ANUVVZPXAPCXSL-UHFFFAOYSA-N 2 2 292.471 3.015 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000581111140 378278024 /nfs/dbraw/zinc/27/80/24/378278024.db2.gz ANUVVZPXAPCXSL-UHFFFAOYSA-N 2 2 292.471 3.015 20 0 CGADLP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000269985983 378291423 /nfs/dbraw/zinc/29/14/23/378291423.db2.gz SFIJBCQWKVWEMV-RDJZCZTQSA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000269985983 378291430 /nfs/dbraw/zinc/29/14/30/378291430.db2.gz SFIJBCQWKVWEMV-RDJZCZTQSA-N 2 2 297.402 3.058 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000580513859 378249021 /nfs/dbraw/zinc/24/90/21/378249021.db2.gz JMVRESNIDYZRBO-XUJLQICISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000580513859 378249025 /nfs/dbraw/zinc/24/90/25/378249025.db2.gz JMVRESNIDYZRBO-XUJLQICISA-N 2 2 250.430 3.028 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(-c2ccccc2)c(C)[nH+]1 ZINC000583470110 378325135 /nfs/dbraw/zinc/32/51/35/378325135.db2.gz VFVULMDJMOFOOL-UHFFFAOYSA-N 2 2 292.386 3.307 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(CO)c1 ZINC000270528362 378364069 /nfs/dbraw/zinc/36/40/69/378364069.db2.gz UCKSMBCDNDUXKP-HNNXBMFYSA-N 2 2 299.418 3.117 20 0 CGADLP Fc1ccccc1C=C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000270871804 378407691 /nfs/dbraw/zinc/40/76/91/378407691.db2.gz LWHWMWYOSCSTDH-UHFFFAOYSA-N 2 2 285.366 3.202 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000270884911 378410809 /nfs/dbraw/zinc/41/08/09/378410809.db2.gz OEBBKRXJYUIYET-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000270884911 378410816 /nfs/dbraw/zinc/41/08/16/378410816.db2.gz OEBBKRXJYUIYET-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP CC(C)C[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000584409998 378381932 /nfs/dbraw/zinc/38/19/32/378381932.db2.gz GEJUBOTZUZHHBN-KRWDZBQOSA-N 2 2 260.425 3.112 20 0 CGADLP CC(C)C[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000584409998 378381937 /nfs/dbraw/zinc/38/19/37/378381937.db2.gz GEJUBOTZUZHHBN-KRWDZBQOSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930075 378521251 /nfs/dbraw/zinc/52/12/51/378521251.db2.gz MIABNWASKLTNPD-DZGCQCFKSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930075 378521257 /nfs/dbraw/zinc/52/12/57/378521257.db2.gz MIABNWASKLTNPD-DZGCQCFKSA-N 2 2 273.380 3.122 20 0 CGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000271189262 378477682 /nfs/dbraw/zinc/47/76/82/378477682.db2.gz LPEITJSJJPGLBM-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000346175203 378492195 /nfs/dbraw/zinc/49/21/95/378492195.db2.gz NIYJZCZSCGUCGW-RBSFLKMASA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000346175203 378492198 /nfs/dbraw/zinc/49/21/98/378492198.db2.gz NIYJZCZSCGUCGW-RBSFLKMASA-N 2 2 261.413 3.415 20 0 CGADLP CC1=CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346199635 378500576 /nfs/dbraw/zinc/50/05/76/378500576.db2.gz GKGAGNCJIXTHGD-UHFFFAOYSA-N 2 2 259.378 3.086 20 0 CGADLP CC1=CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346199635 378500579 /nfs/dbraw/zinc/50/05/79/378500579.db2.gz GKGAGNCJIXTHGD-UHFFFAOYSA-N 2 2 259.378 3.086 20 0 CGADLP C[C@H]1SCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346199782 378502436 /nfs/dbraw/zinc/50/24/36/378502436.db2.gz GUYXUISDZNZBPN-NWDGAFQWSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@H]1SCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346199782 378502442 /nfs/dbraw/zinc/50/24/42/378502442.db2.gz GUYXUISDZNZBPN-NWDGAFQWSA-N 2 2 293.461 3.260 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000346308118 378539105 /nfs/dbraw/zinc/53/91/05/378539105.db2.gz HJCNHSHHZVLNLQ-UHFFFAOYSA-N 2 2 261.413 3.238 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000346308118 378539111 /nfs/dbraw/zinc/53/91/11/378539111.db2.gz HJCNHSHHZVLNLQ-UHFFFAOYSA-N 2 2 261.413 3.238 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000272009899 378545789 /nfs/dbraw/zinc/54/57/89/378545789.db2.gz TVROWGPPPHNHNM-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000272009899 378545795 /nfs/dbraw/zinc/54/57/95/378545795.db2.gz TVROWGPPPHNHNM-UHFFFAOYSA-N 2 2 275.371 3.323 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@H]2CCC2CCCC2)c[nH+]1 ZINC000346273769 378529521 /nfs/dbraw/zinc/52/95/21/378529521.db2.gz HZAJEYQLOLMSTB-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@H]2CCC2CCCC2)c[nH+]1 ZINC000346273769 378529526 /nfs/dbraw/zinc/52/95/26/378529526.db2.gz HZAJEYQLOLMSTB-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@H]([NH2+]CCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346503380 378597414 /nfs/dbraw/zinc/59/74/14/378597414.db2.gz QMZIFAGDEKTNRE-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638017345 378669605 /nfs/dbraw/zinc/66/96/05/378669605.db2.gz GCEVFPLYLUKPMI-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638017345 378669610 /nfs/dbraw/zinc/66/96/10/378669610.db2.gz GCEVFPLYLUKPMI-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)s2)cc1 ZINC000346674723 378671318 /nfs/dbraw/zinc/67/13/18/378671318.db2.gz XNLXSEAZDUFAAL-CQSZACIVSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)s2)cc1 ZINC000346674723 378671322 /nfs/dbraw/zinc/67/13/22/378671322.db2.gz XNLXSEAZDUFAAL-CQSZACIVSA-N 2 2 272.417 3.257 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@@H+]1C1CC1 ZINC000346697743 378680484 /nfs/dbraw/zinc/68/04/84/378680484.db2.gz GOKJYPHTXPSREA-HUUCEWRRSA-N 2 2 288.435 3.059 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)C[N@H+]1C1CC1 ZINC000346697743 378680491 /nfs/dbraw/zinc/68/04/91/378680491.db2.gz GOKJYPHTXPSREA-HUUCEWRRSA-N 2 2 288.435 3.059 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346804334 378689247 /nfs/dbraw/zinc/68/92/47/378689247.db2.gz XIQSCOJPNXPSQP-COXVUDFISA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346804334 378689252 /nfs/dbraw/zinc/68/92/52/378689252.db2.gz XIQSCOJPNXPSQP-COXVUDFISA-N 2 2 258.409 3.055 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000346616931 378647772 /nfs/dbraw/zinc/64/77/72/378647772.db2.gz XEHQTNQRLBYGEL-YQQAZPJKSA-N 2 2 290.451 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347923581 378729506 /nfs/dbraw/zinc/72/95/06/378729506.db2.gz OLIDAPHDOYAWDH-DLBZAZTESA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347923581 378729509 /nfs/dbraw/zinc/72/95/09/378729509.db2.gz OLIDAPHDOYAWDH-DLBZAZTESA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000347926693 378731339 /nfs/dbraw/zinc/73/13/39/378731339.db2.gz YQMVXBORBWTYBB-MRXNPFEDSA-N 2 2 278.465 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000347926693 378731342 /nfs/dbraw/zinc/73/13/42/378731342.db2.gz YQMVXBORBWTYBB-MRXNPFEDSA-N 2 2 278.465 3.396 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638349118 378774718 /nfs/dbraw/zinc/77/47/18/378774718.db2.gz XQCWLHMDGOERIN-UHFFFAOYSA-N 2 2 287.407 3.038 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)ccc1-n1cc[nH+]c1 ZINC000348107262 378795147 /nfs/dbraw/zinc/79/51/47/378795147.db2.gz VTBWNDOAMGHTKI-ZBFHGGJFSA-N 2 2 285.366 3.290 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638419002 378796971 /nfs/dbraw/zinc/79/69/71/378796971.db2.gz HOGYWFIMWUDPRE-WCQYABFASA-N 2 2 277.318 3.006 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638297314 378759943 /nfs/dbraw/zinc/75/99/43/378759943.db2.gz AVHCVMQEGZYHIR-DGCLKSJQSA-N 2 2 293.361 3.368 20 0 CGADLP CC[C@@H](C)[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)OC ZINC000638442361 378804618 /nfs/dbraw/zinc/80/46/18/378804618.db2.gz SNEMSIKDAFXLSB-CJNGLKHVSA-N 2 2 289.423 3.146 20 0 CGADLP Cc1ccc([C@H](C[NH2+]CCC2CCOCC2)[NH+](C)C)cc1 ZINC000638447191 378805483 /nfs/dbraw/zinc/80/54/83/378805483.db2.gz GMQMPZKPDOPCSR-SFHVURJKSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cc2c(s1)CCC2 ZINC000346807770 218021005 /nfs/dbraw/zinc/02/10/05/218021005.db2.gz MDZGIYDOAQSGKR-OBJOEFQTSA-N 2 2 278.465 3.370 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cc2c(s1)CCC2 ZINC000346807770 218021007 /nfs/dbraw/zinc/02/10/07/218021007.db2.gz MDZGIYDOAQSGKR-OBJOEFQTSA-N 2 2 278.465 3.370 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000348314802 378902216 /nfs/dbraw/zinc/90/22/16/378902216.db2.gz HIPVYGBFQQGTAT-UHFFFAOYSA-N 2 2 296.352 3.275 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)[C@@H]1C[NH3+] ZINC000347011224 218091852 /nfs/dbraw/zinc/09/18/52/218091852.db2.gz UGUVOGCUAFSNFY-IAQYHMDHSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@@H]1C[NH3+] ZINC000347011224 218091854 /nfs/dbraw/zinc/09/18/54/218091854.db2.gz UGUVOGCUAFSNFY-IAQYHMDHSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348321510 378907438 /nfs/dbraw/zinc/90/74/38/378907438.db2.gz ZYPXSVACHBIEEC-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274927912 378919633 /nfs/dbraw/zinc/91/96/33/378919633.db2.gz QIDXFPFSFOQARP-GFCCVEGCSA-N 2 2 269.820 3.118 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032852 218098040 /nfs/dbraw/zinc/09/80/40/218098040.db2.gz BJQARBWJXMWKIJ-DOMZBBRYSA-N 2 2 298.377 3.032 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032852 218098042 /nfs/dbraw/zinc/09/80/42/218098042.db2.gz BJQARBWJXMWKIJ-DOMZBBRYSA-N 2 2 298.377 3.032 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000347114138 218126387 /nfs/dbraw/zinc/12/63/87/218126387.db2.gz SHYXXLBKCVCOGB-GFCCVEGCSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000347114138 218126389 /nfs/dbraw/zinc/12/63/89/218126389.db2.gz SHYXXLBKCVCOGB-GFCCVEGCSA-N 2 2 290.407 3.477 20 0 CGADLP C[N@H+](CCC[C@H]1CCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000639071863 379003119 /nfs/dbraw/zinc/00/31/19/379003119.db2.gz PODYMZYHIKLGIL-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP C[N@@H+](CCC[C@H]1CCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000639071863 379003123 /nfs/dbraw/zinc/00/31/23/379003123.db2.gz PODYMZYHIKLGIL-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000639089777 379011053 /nfs/dbraw/zinc/01/10/53/379011053.db2.gz FFAWGIRNBSTNKS-QGTPRVQTSA-N 2 2 290.451 3.001 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@H]1CC=CCC1)Cc1ccco1 ZINC000348819616 379066027 /nfs/dbraw/zinc/06/60/27/379066027.db2.gz XNVUFJOMPLACSS-INIZCTEOSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@H]1CC=CCC1)Cc1ccco1 ZINC000348819616 379066030 /nfs/dbraw/zinc/06/60/30/379066030.db2.gz XNVUFJOMPLACSS-INIZCTEOSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CC=CCC1 ZINC000348819616 379066032 /nfs/dbraw/zinc/06/60/32/379066032.db2.gz XNVUFJOMPLACSS-INIZCTEOSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CC=CCC1 ZINC000348819616 379066034 /nfs/dbraw/zinc/06/60/34/379066034.db2.gz XNVUFJOMPLACSS-INIZCTEOSA-N 2 2 276.424 3.390 20 0 CGADLP c1cn(Cc2ccc(NC3CCCCC3)[nH+]c2)c[nH+]1 ZINC000348832271 379070025 /nfs/dbraw/zinc/07/00/25/379070025.db2.gz HTVQLZWGRBQJDQ-UHFFFAOYSA-N 2 2 256.353 3.071 20 0 CGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266371311 190252472 /nfs/dbraw/zinc/25/24/72/190252472.db2.gz LUQQRBIESFOMFE-UHFFFAOYSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135062 379167256 /nfs/dbraw/zinc/16/72/56/379167256.db2.gz YAYMZUISGRRTMV-NVXWUHKLSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135062 379167265 /nfs/dbraw/zinc/16/72/65/379167265.db2.gz YAYMZUISGRRTMV-NVXWUHKLSA-N 2 2 283.419 3.088 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124072 379163446 /nfs/dbraw/zinc/16/34/46/379163446.db2.gz ASZUZOLWYARADU-GOEBONIOSA-N 2 2 299.418 3.022 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124072 379163454 /nfs/dbraw/zinc/16/34/54/379163454.db2.gz ASZUZOLWYARADU-GOEBONIOSA-N 2 2 299.418 3.022 20 0 CGADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000349342566 379238089 /nfs/dbraw/zinc/23/80/89/379238089.db2.gz DSDHMLMTIHWIEH-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP C[C@H]1C[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349351544 379242495 /nfs/dbraw/zinc/24/24/95/379242495.db2.gz QLJCFBWJRMFROG-GOEBONIOSA-N 2 2 261.413 3.031 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(O)cc1 ZINC000349372144 379256310 /nfs/dbraw/zinc/25/63/10/379256310.db2.gz URZYITFQDMFAIO-UHFFFAOYSA-N 2 2 299.399 3.271 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(O)cc1 ZINC000349372144 379256315 /nfs/dbraw/zinc/25/63/15/379256315.db2.gz URZYITFQDMFAIO-UHFFFAOYSA-N 2 2 299.399 3.271 20 0 CGADLP COc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1F ZINC000192708934 542267797 /nfs/dbraw/zinc/26/77/97/542267797.db2.gz JCDOEVUHWYPHMH-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349380886 379260420 /nfs/dbraw/zinc/26/04/20/379260420.db2.gz FUZZTSMHQUNMEX-UHFFFAOYSA-N 2 2 258.793 3.097 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349380886 379260428 /nfs/dbraw/zinc/26/04/28/379260428.db2.gz FUZZTSMHQUNMEX-UHFFFAOYSA-N 2 2 258.793 3.097 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373524882 379293488 /nfs/dbraw/zinc/29/34/88/379293488.db2.gz VQNIGORNQMMQSX-ODIFPOPNSA-N 2 2 273.424 3.058 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(C)ns2)CC1 ZINC000639375905 379333374 /nfs/dbraw/zinc/33/33/74/379333374.db2.gz KJVNPINPLJIXKD-UHFFFAOYSA-N 2 2 293.480 3.292 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399296 379364894 /nfs/dbraw/zinc/36/48/94/379364894.db2.gz UIDOHQHGJKGERB-BAHPRDJBSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399296 379364898 /nfs/dbraw/zinc/36/48/98/379364898.db2.gz UIDOHQHGJKGERB-BAHPRDJBSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCOC1 ZINC000374241313 379398035 /nfs/dbraw/zinc/39/80/35/379398035.db2.gz LOHCGWLHBBNNAZ-IAGOWNOFSA-N 2 2 294.483 3.047 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000350093600 379504086 /nfs/dbraw/zinc/50/40/86/379504086.db2.gz GCODQDXONPKVEC-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP CCn1ccc(C[N@H+](C)Cc2c(C)cc(C)[nH+]c2C)c1 ZINC000639608921 379505505 /nfs/dbraw/zinc/50/55/05/379505505.db2.gz NFACNHLCWZBFMW-UHFFFAOYSA-N 2 2 271.408 3.460 20 0 CGADLP CCn1ccc(C[N@@H+](C)Cc2c(C)cc(C)[nH+]c2C)c1 ZINC000639608921 379505509 /nfs/dbraw/zinc/50/55/09/379505509.db2.gz NFACNHLCWZBFMW-UHFFFAOYSA-N 2 2 271.408 3.460 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376765873 379599970 /nfs/dbraw/zinc/59/99/70/379599970.db2.gz BSLWONMMWSBYCE-ZIAGYGMSSA-N 2 2 261.413 3.135 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376769444 379601457 /nfs/dbraw/zinc/60/14/57/379601457.db2.gz SLKPNKDPVNFGJN-CYBMUJFWSA-N 2 2 287.382 3.079 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266949878 190292886 /nfs/dbraw/zinc/29/28/86/190292886.db2.gz TYMMRBWFJIIHKT-OAHLLOKOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266949878 190292887 /nfs/dbraw/zinc/29/28/87/190292887.db2.gz TYMMRBWFJIIHKT-OAHLLOKOSA-N 2 2 269.392 3.406 20 0 CGADLP Clc1cccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000280240458 379652872 /nfs/dbraw/zinc/65/28/72/379652872.db2.gz NIFUXEYUDGIZOK-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP Clc1cccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000280240458 379652883 /nfs/dbraw/zinc/65/28/83/379652883.db2.gz NIFUXEYUDGIZOK-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000377748577 379731257 /nfs/dbraw/zinc/73/12/57/379731257.db2.gz SCVIREDMJSALSY-QWRGUYRKSA-N 2 2 290.436 3.198 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000377748577 379731273 /nfs/dbraw/zinc/73/12/73/379731273.db2.gz SCVIREDMJSALSY-QWRGUYRKSA-N 2 2 290.436 3.198 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377789675 379740537 /nfs/dbraw/zinc/74/05/37/379740537.db2.gz YRJAULPRKSEZNN-GFCCVEGCSA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377789675 379740542 /nfs/dbraw/zinc/74/05/42/379740542.db2.gz YRJAULPRKSEZNN-GFCCVEGCSA-N 2 2 295.308 3.076 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377803788 379743988 /nfs/dbraw/zinc/74/39/88/379743988.db2.gz ZVKPKVYZNCOJJP-HLPPOEQASA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377803788 379743994 /nfs/dbraw/zinc/74/39/94/379743994.db2.gz ZVKPKVYZNCOJJP-HLPPOEQASA-N 2 2 275.440 3.317 20 0 CGADLP C[C@@]1(C2CCCCC2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000640219698 379747804 /nfs/dbraw/zinc/74/78/04/379747804.db2.gz NOSGRXLCJZIIDF-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@@]1(C2CCCCC2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000640219698 379747806 /nfs/dbraw/zinc/74/78/06/379747806.db2.gz NOSGRXLCJZIIDF-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640220824 379749431 /nfs/dbraw/zinc/74/94/31/379749431.db2.gz YGAYOMRRDRMROD-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640220824 379749436 /nfs/dbraw/zinc/74/94/36/379749436.db2.gz YGAYOMRRDRMROD-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP COC[C@H]1CCCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377627063 379708553 /nfs/dbraw/zinc/70/85/53/379708553.db2.gz PCGOLXVNOFTLCF-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@H]1CCCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377627063 379708560 /nfs/dbraw/zinc/70/85/60/379708560.db2.gz PCGOLXVNOFTLCF-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267408611 190328146 /nfs/dbraw/zinc/32/81/46/190328146.db2.gz HSOJAVPNZUDPDQ-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267408611 190328147 /nfs/dbraw/zinc/32/81/47/190328147.db2.gz HSOJAVPNZUDPDQ-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452062 379820829 /nfs/dbraw/zinc/82/08/29/379820829.db2.gz AQEHNYJMSDPYDW-SWLSCSKDSA-N 2 2 274.433 3.331 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452062 379820830 /nfs/dbraw/zinc/82/08/30/379820830.db2.gz AQEHNYJMSDPYDW-SWLSCSKDSA-N 2 2 274.433 3.331 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000393646544 379915308 /nfs/dbraw/zinc/91/53/08/379915308.db2.gz QHPXBNLSLXRVIL-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000393646544 379915313 /nfs/dbraw/zinc/91/53/13/379915313.db2.gz QHPXBNLSLXRVIL-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000389498418 379900631 /nfs/dbraw/zinc/90/06/31/379900631.db2.gz BMEFIBXOHYVOEL-ROKHWSDSSA-N 2 2 278.827 3.270 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000389498418 379900635 /nfs/dbraw/zinc/90/06/35/379900635.db2.gz BMEFIBXOHYVOEL-ROKHWSDSSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC[C@H]2CCOC2)n1-c1ccccc1 ZINC000402391530 379966068 /nfs/dbraw/zinc/96/60/68/379966068.db2.gz USRADRXUAUWDGO-INIZCTEOSA-N 2 2 299.418 3.087 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352812147 379975804 /nfs/dbraw/zinc/97/58/04/379975804.db2.gz ZLCIHCXDPMJECT-YJBOKZPZSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352812147 379975806 /nfs/dbraw/zinc/97/58/06/379975806.db2.gz ZLCIHCXDPMJECT-YJBOKZPZSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2ccccc2o1 ZINC000398984771 379933491 /nfs/dbraw/zinc/93/34/91/379933491.db2.gz HJFDMWTXBDUBME-YRGRVCCFSA-N 2 2 258.365 3.224 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000400636786 379953910 /nfs/dbraw/zinc/95/39/10/379953910.db2.gz UAIICSKHUMNOOC-SJLPKXTDSA-N 2 2 290.451 3.086 20 0 CGADLP CC[NH+](CC)Cc1ccc(CNc2cc(CO)cc[nH+]2)cc1 ZINC000641266648 379982552 /nfs/dbraw/zinc/98/25/52/379982552.db2.gz JHDQNKGPELKRSE-UHFFFAOYSA-N 2 2 299.418 3.028 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000352897345 380024783 /nfs/dbraw/zinc/02/47/83/380024783.db2.gz BFNXFLBRPOQQKT-DEYYWGMASA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000352897345 380024785 /nfs/dbraw/zinc/02/47/85/380024785.db2.gz BFNXFLBRPOQQKT-DEYYWGMASA-N 2 2 288.435 3.219 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000641792547 380104681 /nfs/dbraw/zinc/10/46/81/380104681.db2.gz XBNXHMNURUKBLH-GHMZBOCLSA-N 2 2 279.334 3.485 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000643039060 380207110 /nfs/dbraw/zinc/20/71/10/380207110.db2.gz ZJJOAYIBPXBWSI-QWRGUYRKSA-N 2 2 293.773 3.024 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)c3cccnc3)n2c1 ZINC000414555973 380317314 /nfs/dbraw/zinc/31/73/14/380317314.db2.gz IWTVUJAISHDBEV-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500916 380321406 /nfs/dbraw/zinc/32/14/06/380321406.db2.gz HXLBEWFGVCTSKE-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501404 380321995 /nfs/dbraw/zinc/32/19/95/380321995.db2.gz FUFBKVWUEPHKJD-XHDPSFHLSA-N 2 2 264.800 3.059 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501442 380323437 /nfs/dbraw/zinc/32/34/37/380323437.db2.gz GTNSDCBIHNZTLJ-CQSZACIVSA-N 2 2 278.399 3.488 20 0 CGADLP c1ccc([C@H](CC2CC2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643501712 380324301 /nfs/dbraw/zinc/32/43/01/380324301.db2.gz OKRSRFAQURKWTJ-SJORKVTESA-N 2 2 258.409 3.260 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1SC ZINC000643502072 380324420 /nfs/dbraw/zinc/32/44/20/380324420.db2.gz XAUUCJIEVKADKX-JSGCOSHPSA-N 2 2 294.464 3.210 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507705 380329953 /nfs/dbraw/zinc/32/99/53/380329953.db2.gz NENDMQMBVNNWAJ-AWEZNQCLSA-N 2 2 276.424 3.268 20 0 CGADLP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507667 380330398 /nfs/dbraw/zinc/33/03/98/380330398.db2.gz MDOQWURJLYKJBQ-ZBFHGGJFSA-N 2 2 278.827 3.318 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000643344756 380285286 /nfs/dbraw/zinc/28/52/86/380285286.db2.gz LBUPISAJINOOFV-FZMZJTMJSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000643344756 380285289 /nfs/dbraw/zinc/28/52/89/380285289.db2.gz LBUPISAJINOOFV-FZMZJTMJSA-N 2 2 284.806 3.094 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000414679114 380368888 /nfs/dbraw/zinc/36/88/88/380368888.db2.gz LCZJSUNPRINOGO-CABCVRRESA-N 2 2 296.480 3.103 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000414679114 380368894 /nfs/dbraw/zinc/36/88/94/380368894.db2.gz LCZJSUNPRINOGO-CABCVRRESA-N 2 2 296.480 3.103 20 0 CGADLP COc1ccc(C2([NH2+]CC[NH2+]C(C)(C)C)CCCC2)cc1 ZINC000414697726 380378701 /nfs/dbraw/zinc/37/87/01/380378701.db2.gz CUKVDAVMSOKHBP-UHFFFAOYSA-N 2 2 290.451 3.442 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414708738 380383307 /nfs/dbraw/zinc/38/33/07/380383307.db2.gz PFNIPJRFDHXIDH-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414708738 380383311 /nfs/dbraw/zinc/38/33/11/380383311.db2.gz PFNIPJRFDHXIDH-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414718255 380387018 /nfs/dbraw/zinc/38/70/18/380387018.db2.gz ZBIJHJLEHMQMHG-KRWDZBQOSA-N 2 2 289.467 3.278 20 0 CGADLP CN(C)c1cccc([C@@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414718255 380387021 /nfs/dbraw/zinc/38/70/21/380387021.db2.gz ZBIJHJLEHMQMHG-KRWDZBQOSA-N 2 2 289.467 3.278 20 0 CGADLP Fc1ccccc1[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000354129020 380337760 /nfs/dbraw/zinc/33/77/60/380337760.db2.gz XLXSXSUVIUTHJW-AWEZNQCLSA-N 2 2 295.361 3.463 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414820632 380432099 /nfs/dbraw/zinc/43/20/99/380432099.db2.gz CKKJBAKJIJDVAQ-UHFFFAOYSA-N 2 2 260.406 3.114 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826035 380436563 /nfs/dbraw/zinc/43/65/63/380436563.db2.gz DSTVJBFPAADHAY-QGZVFWFLSA-N 2 2 272.367 3.178 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000414833722 380441816 /nfs/dbraw/zinc/44/18/16/380441816.db2.gz PYICWRAYFMGDPR-IBGZPJMESA-N 2 2 296.414 3.265 20 0 CGADLP Cc1cc(C)cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414836446 380444240 /nfs/dbraw/zinc/44/42/40/380444240.db2.gz SLUPNGDGHJNXCI-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000414839349 380446485 /nfs/dbraw/zinc/44/64/85/380446485.db2.gz WCABTMKGWJANBD-OAHLLOKOSA-N 2 2 292.329 3.078 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2sccc2Cl)CCCCC1 ZINC000414843446 380449638 /nfs/dbraw/zinc/44/96/38/380449638.db2.gz OCXJBWLTVFVUEO-UHFFFAOYSA-N 2 2 258.818 3.153 20 0 CGADLP C[C@H]1CCc2nc(C[NH2+]CC3([NH3+])CCCCC3)sc2C1 ZINC000414847386 380452342 /nfs/dbraw/zinc/45/23/42/380452342.db2.gz UWJHIWWJNUDYIX-LBPRGKRZSA-N 2 2 293.480 3.019 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414852037 380454080 /nfs/dbraw/zinc/45/40/80/380454080.db2.gz QBVVKCDBTLMMRN-ZDUSSCGKSA-N 2 2 292.320 3.308 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414801916 380414716 /nfs/dbraw/zinc/41/47/16/380414716.db2.gz JRNCKCVUXSVADD-UHFFFAOYSA-N 2 2 292.320 3.452 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268736497 190426683 /nfs/dbraw/zinc/42/66/83/190426683.db2.gz BZLRCTYLTVROQX-LSDHHAIUSA-N 2 2 271.408 3.456 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000354574738 380491796 /nfs/dbraw/zinc/49/17/96/380491796.db2.gz OSGVNDOKIPFBDA-KSZLIROESA-N 2 2 290.451 3.084 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414940735 380497896 /nfs/dbraw/zinc/49/78/96/380497896.db2.gz XWLVEORYASPHQG-TVQRCGJNSA-N 2 2 273.207 3.081 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414937563 380498659 /nfs/dbraw/zinc/49/86/59/380498659.db2.gz HUCLXXVHMNCLMR-LDYMZIIASA-N 2 2 291.197 3.220 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[NH2+]1 ZINC000414941957 380500086 /nfs/dbraw/zinc/50/00/86/380500086.db2.gz DCHCOKIZRQSVIH-JQWIXIFHSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH2+]1 ZINC000414945997 380501567 /nfs/dbraw/zinc/50/15/67/380501567.db2.gz JCQDBLRWYCYTOL-TZMCWYRMSA-N 2 2 287.432 3.040 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC3(CCOCC3)[C@H]2C)c[nH+]1 ZINC000354668203 380521535 /nfs/dbraw/zinc/52/15/35/380521535.db2.gz SIDUQEKYPPEBFS-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC3(CCOCC3)[C@H]2C)c[nH+]1 ZINC000354668203 380521540 /nfs/dbraw/zinc/52/15/40/380521540.db2.gz SIDUQEKYPPEBFS-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2COc3ccc(F)cc32)c[nH+]1 ZINC000354671141 380523559 /nfs/dbraw/zinc/52/35/59/380523559.db2.gz VNHOEVDVLFVCQY-MRXNPFEDSA-N 2 2 286.350 3.185 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@H]2CC2CCC2)c[nH+]1 ZINC000354726944 380541301 /nfs/dbraw/zinc/54/13/01/380541301.db2.gz KDIZPZVLDRTITH-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOC[C@H]2CC2CCC2)c[nH+]1 ZINC000354726944 380541306 /nfs/dbraw/zinc/54/13/06/380541306.db2.gz KDIZPZVLDRTITH-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)COC2 ZINC000268895066 190448148 /nfs/dbraw/zinc/44/81/48/190448148.db2.gz ARRHOTRVBLWDDN-CQSZACIVSA-N 2 2 297.402 3.265 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@H](C)Cn3cc[nH+]c3)c2c1 ZINC000645120236 380588677 /nfs/dbraw/zinc/58/86/77/380588677.db2.gz XRHUEYIHMJDZCX-CYBMUJFWSA-N 2 2 266.348 3.240 20 0 CGADLP CSC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000355172983 380609267 /nfs/dbraw/zinc/60/92/67/380609267.db2.gz XYZYUXRIYPVEBL-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393678 380667913 /nfs/dbraw/zinc/66/79/13/380667913.db2.gz NAXJHJIITGLLAE-WBVHZDCISA-N 2 2 292.854 3.345 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393678 380667917 /nfs/dbraw/zinc/66/79/17/380667917.db2.gz NAXJHJIITGLLAE-WBVHZDCISA-N 2 2 292.854 3.345 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000418034051 380694559 /nfs/dbraw/zinc/69/45/59/380694559.db2.gz DCFANJRNLUNDBB-UHFFFAOYSA-N 2 2 292.814 3.230 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418060465 380699148 /nfs/dbraw/zinc/69/91/48/380699148.db2.gz BZOKOGCRTGWQJE-ULQDDVLXSA-N 2 2 281.403 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418060465 380699151 /nfs/dbraw/zinc/69/91/51/380699151.db2.gz BZOKOGCRTGWQJE-ULQDDVLXSA-N 2 2 281.403 3.013 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418117441 380703811 /nfs/dbraw/zinc/70/38/11/380703811.db2.gz TYPUKYBIPAZKPA-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)CC1CCCCC1 ZINC000418127952 380707676 /nfs/dbraw/zinc/70/76/76/380707676.db2.gz PQDNZUKNGQYDIV-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2=CCCC2)CC1 ZINC000645893622 380763535 /nfs/dbraw/zinc/76/35/35/380763535.db2.gz QDTCSYGNPQDZRB-UHFFFAOYSA-N 2 2 272.392 3.344 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCC(C)CC1 ZINC000355744153 380767393 /nfs/dbraw/zinc/76/73/93/380767393.db2.gz YAMZETIGIHTKMO-HUUCEWRRSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000355597722 380722549 /nfs/dbraw/zinc/72/25/49/380722549.db2.gz KTVJQLYQGNWCLQ-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP CC(C)c1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000355613952 380728301 /nfs/dbraw/zinc/72/83/01/380728301.db2.gz WDVNFYGUFIDLHZ-UHFFFAOYSA-N 2 2 293.480 3.373 20 0 CGADLP CC1(C)C(C[NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000355659779 380740172 /nfs/dbraw/zinc/74/01/72/380740172.db2.gz NLXWHDTTZZFESX-UHFFFAOYSA-N 2 2 257.381 3.106 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000356900704 380927748 /nfs/dbraw/zinc/92/77/48/380927748.db2.gz OZVPLATVWFXDNA-CQSZACIVSA-N 2 2 284.407 3.192 20 0 CGADLP CC[C@H]1C[NH+](CCCc2ccc(C)[nH+]c2)C[C@H](CC)O1 ZINC000421385483 380929163 /nfs/dbraw/zinc/92/91/63/380929163.db2.gz GNEWEIACVKFYDM-IRXDYDNUSA-N 2 2 276.424 3.212 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000356837169 380893846 /nfs/dbraw/zinc/89/38/46/380893846.db2.gz DDNLTFJUZQYLFL-CQSZACIVSA-N 2 2 263.429 3.025 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000356837169 380893853 /nfs/dbraw/zinc/89/38/53/380893853.db2.gz DDNLTFJUZQYLFL-CQSZACIVSA-N 2 2 263.429 3.025 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000356883539 380917889 /nfs/dbraw/zinc/91/78/89/380917889.db2.gz VVLLIZUTIHGAEY-SZMVWBNQSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)s1 ZINC000334760408 207030233 /nfs/dbraw/zinc/03/02/33/207030233.db2.gz DLVNUWTXSPNJLE-DTWKUNHWSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)s1 ZINC000334760408 207030234 /nfs/dbraw/zinc/03/02/34/207030234.db2.gz DLVNUWTXSPNJLE-DTWKUNHWSA-N 2 2 281.812 3.333 20 0 CGADLP Cc1cc(NCc2ccn3cc[nH+]c3c2)c2ccccc2[nH+]1 ZINC000357421576 381153712 /nfs/dbraw/zinc/15/37/12/381153712.db2.gz NGRSZOBFZRYWTC-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP CSc1cc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)ccn1 ZINC000357363343 381127770 /nfs/dbraw/zinc/12/77/70/381127770.db2.gz IWEOGEYCBAISHC-UHFFFAOYSA-N 2 2 298.415 3.049 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000357663867 381242369 /nfs/dbraw/zinc/24/23/69/381242369.db2.gz SJESIBCTCRUJDN-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000358922171 381330751 /nfs/dbraw/zinc/33/07/51/381330751.db2.gz BOPOSAIRZCKRRX-CZUORRHYSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000358922171 381330767 /nfs/dbraw/zinc/33/07/67/381330767.db2.gz BOPOSAIRZCKRRX-CZUORRHYSA-N 2 2 282.378 3.346 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000359376850 381346608 /nfs/dbraw/zinc/34/66/08/381346608.db2.gz WRECTSWHYLBSQJ-SFHVURJKSA-N 2 2 290.451 3.086 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000359376850 381346614 /nfs/dbraw/zinc/34/66/14/381346614.db2.gz WRECTSWHYLBSQJ-SFHVURJKSA-N 2 2 290.451 3.086 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590377 381355569 /nfs/dbraw/zinc/35/55/69/381355569.db2.gz SUYIGPUJLUUIHO-CRAIPNDOSA-N 2 2 295.430 3.394 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590377 381355572 /nfs/dbraw/zinc/35/55/72/381355572.db2.gz SUYIGPUJLUUIHO-CRAIPNDOSA-N 2 2 295.430 3.394 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221160806 542288429 /nfs/dbraw/zinc/28/84/29/542288429.db2.gz TXDXNOOMBXVNFS-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221160806 542288432 /nfs/dbraw/zinc/28/84/32/542288432.db2.gz TXDXNOOMBXVNFS-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000289354387 197308454 /nfs/dbraw/zinc/30/84/54/197308454.db2.gz NJRDGOBPDSHTEZ-UHFFFAOYSA-N 2 2 283.828 3.200 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000289354387 197308456 /nfs/dbraw/zinc/30/84/56/197308456.db2.gz NJRDGOBPDSHTEZ-UHFFFAOYSA-N 2 2 283.828 3.200 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000227056679 542291821 /nfs/dbraw/zinc/29/18/21/542291821.db2.gz KWZNSTZVWGWMIY-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000227056679 542291823 /nfs/dbraw/zinc/29/18/23/542291823.db2.gz KWZNSTZVWGWMIY-HOTGVXAUSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CS1 ZINC000227499875 542293834 /nfs/dbraw/zinc/29/38/34/542293834.db2.gz GFJQBIZYOOCQQP-DJIMGWMZSA-N 2 2 290.476 3.307 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000362913699 382144525 /nfs/dbraw/zinc/14/45/25/382144525.db2.gz OLEGDBGWTUAJRI-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000362913699 382144531 /nfs/dbraw/zinc/14/45/31/382144531.db2.gz OLEGDBGWTUAJRI-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP COc1cccc([C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000363447226 382221792 /nfs/dbraw/zinc/22/17/92/382221792.db2.gz AIDILLQJIDOQFY-ZDUSSCGKSA-N 2 2 285.391 3.359 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000235074869 542310155 /nfs/dbraw/zinc/31/01/55/542310155.db2.gz WYECASNQHRQPGM-OCCSQVGLSA-N 2 2 264.438 3.201 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235523873 542312608 /nfs/dbraw/zinc/31/26/08/542312608.db2.gz KWSWHPLAKNQVMG-FZMZJTMJSA-N 2 2 286.341 3.498 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000367204557 382337545 /nfs/dbraw/zinc/33/75/45/382337545.db2.gz LJVAVSHWUFAEGU-IMJJTQAJSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370060771 382413285 /nfs/dbraw/zinc/41/32/85/382413285.db2.gz QJTPTYZLEJKXSP-KNXWPPODSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000370060771 382413287 /nfs/dbraw/zinc/41/32/87/382413287.db2.gz QJTPTYZLEJKXSP-KNXWPPODSA-N 2 2 294.483 3.188 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000253162180 542351602 /nfs/dbraw/zinc/35/16/02/542351602.db2.gz VPGFUDFJOZHUIT-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000253162180 542351606 /nfs/dbraw/zinc/35/16/06/542351606.db2.gz VPGFUDFJOZHUIT-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000268804410 542361892 /nfs/dbraw/zinc/36/18/92/542361892.db2.gz ZWPBVOWYZZVXCA-ZACQAIPSSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000268804410 542361896 /nfs/dbraw/zinc/36/18/96/542361896.db2.gz ZWPBVOWYZZVXCA-ZACQAIPSSA-N 2 2 274.383 3.029 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000280899001 195020674 /nfs/dbraw/zinc/02/06/74/195020674.db2.gz OFBQLIFLWDMMNU-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000280899001 195020676 /nfs/dbraw/zinc/02/06/76/195020676.db2.gz OFBQLIFLWDMMNU-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000335282446 208095749 /nfs/dbraw/zinc/09/57/49/208095749.db2.gz YUACQXCGUUNJKY-JQWIXIFHSA-N 2 2 293.773 3.341 20 0 CGADLP CC[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345187260 285092826 /nfs/dbraw/zinc/09/28/26/285092826.db2.gz IIICDMSSEHKJBC-GFCCVEGCSA-N 2 2 284.806 3.443 20 0 CGADLP CC[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345187260 285092829 /nfs/dbraw/zinc/09/28/29/285092829.db2.gz IIICDMSSEHKJBC-GFCCVEGCSA-N 2 2 284.806 3.443 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127498 533059820 /nfs/dbraw/zinc/05/98/20/533059820.db2.gz PYWDTQWDEYOTIY-LBPRGKRZSA-N 2 2 275.421 3.035 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747221 220300081 /nfs/dbraw/zinc/30/00/81/220300081.db2.gz FGAOWJWHVZQDEI-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747221 220300085 /nfs/dbraw/zinc/30/00/85/220300085.db2.gz FGAOWJWHVZQDEI-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747221 220300089 /nfs/dbraw/zinc/30/00/89/220300089.db2.gz FGAOWJWHVZQDEI-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747221 220300092 /nfs/dbraw/zinc/30/00/92/220300092.db2.gz FGAOWJWHVZQDEI-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH]cc[nH+]1 ZINC000285970837 542389428 /nfs/dbraw/zinc/38/94/28/542389428.db2.gz GAOAKMGQDLPYHE-SNVBAGLBSA-N 2 2 281.363 3.347 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000423266427 533116486 /nfs/dbraw/zinc/11/64/86/533116486.db2.gz SAHJBHPDHJKUTA-SJKOYZFVSA-N 2 2 294.414 3.393 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000436231762 285200383 /nfs/dbraw/zinc/20/03/83/285200383.db2.gz LQBSXLFBMOWEGS-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000436231762 285200384 /nfs/dbraw/zinc/20/03/84/285200384.db2.gz LQBSXLFBMOWEGS-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297659169 542409975 /nfs/dbraw/zinc/40/99/75/542409975.db2.gz NUJPZHRFJQJZKQ-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297659169 542409977 /nfs/dbraw/zinc/40/99/77/542409977.db2.gz NUJPZHRFJQJZKQ-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300248111 542411944 /nfs/dbraw/zinc/41/19/44/542411944.db2.gz JVFWXDCARNVMTG-GJZGRUSLSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300248111 542411947 /nfs/dbraw/zinc/41/19/47/542411947.db2.gz JVFWXDCARNVMTG-GJZGRUSLSA-N 2 2 278.827 3.365 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423243675 533197481 /nfs/dbraw/zinc/19/74/81/533197481.db2.gz WWAXLAULTVBGSY-PKOBYXMFSA-N 2 2 296.414 3.126 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000281307362 195190814 /nfs/dbraw/zinc/19/08/14/195190814.db2.gz RQQXRNGEJIOAGP-BRWVUGGUSA-N 2 2 298.434 3.291 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(C)cs1 ZINC000339067689 542485922 /nfs/dbraw/zinc/48/59/22/542485922.db2.gz KOLHROYVKSMWKG-RDBSUJKOSA-N 2 2 279.453 3.119 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(C)cs1 ZINC000339067689 542485926 /nfs/dbraw/zinc/48/59/26/542485926.db2.gz KOLHROYVKSMWKG-RDBSUJKOSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000343989863 542503589 /nfs/dbraw/zinc/50/35/89/542503589.db2.gz POYFKTYPSWFFAX-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000343989863 542503593 /nfs/dbraw/zinc/50/35/93/542503593.db2.gz POYFKTYPSWFFAX-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208387 542562487 /nfs/dbraw/zinc/56/24/87/542562487.db2.gz GPMOXISCCWUBDI-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208387 542562490 /nfs/dbraw/zinc/56/24/90/542562490.db2.gz GPMOXISCCWUBDI-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(C)[nH+]1 ZINC000301064990 291966639 /nfs/dbraw/zinc/96/66/39/291966639.db2.gz HVOOGIKTGWGOTA-KRWDZBQOSA-N 2 2 296.418 3.342 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000518264442 533390824 /nfs/dbraw/zinc/39/08/24/533390824.db2.gz CKQWJLHNUUKPER-VKAVYKQESA-N 2 2 272.436 3.411 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423235071 533431074 /nfs/dbraw/zinc/43/10/74/533431074.db2.gz GFISIVLUNTVLFB-ACJLOTCBSA-N 2 2 282.387 3.067 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427878191 533528895 /nfs/dbraw/zinc/52/88/95/533528895.db2.gz VFJRKZAMIKQOLC-TZMCWYRMSA-N 2 2 281.359 3.295 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423275949 533510528 /nfs/dbraw/zinc/51/05/28/533510528.db2.gz MJQJQWWYXSIDQU-RISCZKNCSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000156171898 533543731 /nfs/dbraw/zinc/54/37/31/533543731.db2.gz RBMLALXIDFDJKQ-UPJWGTAASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000156171898 533543733 /nfs/dbraw/zinc/54/37/33/533543733.db2.gz RBMLALXIDFDJKQ-UPJWGTAASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cnc2ccsc2c1 ZINC000427882983 533548073 /nfs/dbraw/zinc/54/80/73/533548073.db2.gz CNERXBFFNAJICI-YPMHNXCESA-N 2 2 298.415 3.158 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437076343 533667328 /nfs/dbraw/zinc/66/73/28/533667328.db2.gz OFFVQACQASXDGL-AWEZNQCLSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000381054747 542596079 /nfs/dbraw/zinc/59/60/79/542596079.db2.gz LBVCAPGMEGVUHN-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000381054747 542596082 /nfs/dbraw/zinc/59/60/82/542596082.db2.gz LBVCAPGMEGVUHN-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000385527789 542601944 /nfs/dbraw/zinc/60/19/44/542601944.db2.gz QRLRWNMJGJOCKX-OCCSQVGLSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000385527789 542601945 /nfs/dbraw/zinc/60/19/45/542601945.db2.gz QRLRWNMJGJOCKX-OCCSQVGLSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389187004 542606381 /nfs/dbraw/zinc/60/63/81/542606381.db2.gz SLWCCYICBGSEQM-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389187004 542606382 /nfs/dbraw/zinc/60/63/82/542606382.db2.gz SLWCCYICBGSEQM-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234249 542606782 /nfs/dbraw/zinc/60/67/82/542606782.db2.gz JHZOZGHZWGOAHV-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234249 542606785 /nfs/dbraw/zinc/60/67/85/542606785.db2.gz JHZOZGHZWGOAHV-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccccc2)C1 ZINC000389326277 542608714 /nfs/dbraw/zinc/60/87/14/542608714.db2.gz HBZQJLLPORSYLQ-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccccc2)C1 ZINC000389326277 542608715 /nfs/dbraw/zinc/60/87/15/542608715.db2.gz HBZQJLLPORSYLQ-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000414925216 542640284 /nfs/dbraw/zinc/64/02/84/542640284.db2.gz LOELRQOHRXLIJS-KFWWJZLASA-N 2 2 282.378 3.112 20 0 CGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC(C)=O)CC1 ZINC000093301967 392238151 /nfs/dbraw/zinc/23/81/51/392238151.db2.gz LKVMQHFWHCOAMT-UHFFFAOYSA-N 2 2 299.418 3.215 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C)cc1 ZINC000070143288 392177095 /nfs/dbraw/zinc/17/70/95/392177095.db2.gz KUJAVBSTISMTQO-INIZCTEOSA-N 2 2 286.423 3.035 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2n1 ZINC000361767077 392318387 /nfs/dbraw/zinc/31/83/87/392318387.db2.gz OYWHEYMOONIQEJ-YCPHGPKFSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2n1 ZINC000361767077 392318390 /nfs/dbraw/zinc/31/83/90/392318390.db2.gz OYWHEYMOONIQEJ-YCPHGPKFSA-N 2 2 283.419 3.368 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000108369343 392341758 /nfs/dbraw/zinc/34/17/58/392341758.db2.gz ZDXCAAMEDBUBGO-UHFFFAOYSA-N 2 2 290.451 3.436 20 0 CGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000237762654 131055761 /nfs/dbraw/zinc/05/57/61/131055761.db2.gz COXBUPXRCYPXES-UHFFFAOYSA-N 2 2 295.430 3.457 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000286060552 392371448 /nfs/dbraw/zinc/37/14/48/392371448.db2.gz LKWCIXDVMBIUSP-OAHLLOKOSA-N 2 2 284.407 3.328 20 0 CGADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000262669861 131249592 /nfs/dbraw/zinc/24/95/92/131249592.db2.gz NBDDUYHAVFMGOD-QGZVFWFLSA-N 2 2 299.374 3.330 20 0 CGADLP Cc1ccc([C@@]2(C)CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000364848444 392439585 /nfs/dbraw/zinc/43/95/85/392439585.db2.gz QLRSNYNDFXNJAP-SFHVURJKSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc([C@@]2(C)CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000364848444 392439589 /nfs/dbraw/zinc/43/95/89/392439589.db2.gz QLRSNYNDFXNJAP-SFHVURJKSA-N 2 2 283.419 3.245 20 0 CGADLP c1cn(CCC[NH+]2CCC(C3CCCC3)CC2)c[nH+]1 ZINC000371481251 392527677 /nfs/dbraw/zinc/52/76/77/392527677.db2.gz UTFQJXQKWUJNHV-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158728391 392574212 /nfs/dbraw/zinc/57/42/12/392574212.db2.gz UEQVBIODYATMGX-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158728391 392574220 /nfs/dbraw/zinc/57/42/20/392574220.db2.gz UEQVBIODYATMGX-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158728391 392574225 /nfs/dbraw/zinc/57/42/25/392574225.db2.gz UEQVBIODYATMGX-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158728391 392574233 /nfs/dbraw/zinc/57/42/33/392574233.db2.gz UEQVBIODYATMGX-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000300413288 392582845 /nfs/dbraw/zinc/58/28/45/392582845.db2.gz ZVKFZSNHTNMZEJ-CBBWQLFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000300413288 392582848 /nfs/dbraw/zinc/58/28/48/392582848.db2.gz ZVKFZSNHTNMZEJ-CBBWQLFWSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cn1 ZINC000161802595 392586577 /nfs/dbraw/zinc/58/65/77/392586577.db2.gz YNUAEVCFGJQUKZ-OAHLLOKOSA-N 2 2 279.403 3.134 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000162649102 392599422 /nfs/dbraw/zinc/59/94/22/392599422.db2.gz GTKKRLLYUYSSAR-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000162649102 392599427 /nfs/dbraw/zinc/59/94/27/392599427.db2.gz GTKKRLLYUYSSAR-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000313282792 392665135 /nfs/dbraw/zinc/66/51/35/392665135.db2.gz NKTMWIMRXPORBC-SNVBAGLBSA-N 2 2 281.762 3.106 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330152 392674866 /nfs/dbraw/zinc/67/48/66/392674866.db2.gz DKUNCIXBUCIHEQ-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330152 392674868 /nfs/dbraw/zinc/67/48/68/392674868.db2.gz DKUNCIXBUCIHEQ-DYVFJYSZSA-N 2 2 288.410 3.277 20 0 CGADLP C[N@H+](CC1CCCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372585982 392621062 /nfs/dbraw/zinc/62/10/62/392621062.db2.gz SGJGKCYZZQESBZ-UHFFFAOYSA-N 2 2 287.451 3.168 20 0 CGADLP C[N@@H+](CC1CCCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372585982 392621068 /nfs/dbraw/zinc/62/10/68/392621068.db2.gz SGJGKCYZZQESBZ-UHFFFAOYSA-N 2 2 287.451 3.168 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCC2 ZINC000647284212 392635881 /nfs/dbraw/zinc/63/58/81/392635881.db2.gz HPDPSFXTGVXCLQ-WMLDXEAASA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000647284212 392635883 /nfs/dbraw/zinc/63/58/83/392635883.db2.gz HPDPSFXTGVXCLQ-WMLDXEAASA-N 2 2 290.476 3.470 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000647288458 392638622 /nfs/dbraw/zinc/63/86/22/392638622.db2.gz DZZHYBAGKNQBNW-ROUUACIJSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000647288458 392638628 /nfs/dbraw/zinc/63/86/28/392638628.db2.gz DZZHYBAGKNQBNW-ROUUACIJSA-N 2 2 287.451 3.243 20 0 CGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000647288064 392639394 /nfs/dbraw/zinc/63/93/94/392639394.db2.gz HQTXOQUMDKEXIK-PBHICJAKSA-N 2 2 278.440 3.322 20 0 CGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000647288066 392639553 /nfs/dbraw/zinc/63/95/53/392639553.db2.gz HQTXOQUMDKEXIK-WMLDXEAASA-N 2 2 278.440 3.322 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000373010070 392655424 /nfs/dbraw/zinc/65/54/24/392655424.db2.gz AYSDYMHYOOGMIB-IIAWOOMASA-N 2 2 276.424 3.319 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000373010070 392655429 /nfs/dbraw/zinc/65/54/29/392655429.db2.gz AYSDYMHYOOGMIB-IIAWOOMASA-N 2 2 276.424 3.319 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000647316042 392659850 /nfs/dbraw/zinc/65/98/50/392659850.db2.gz MMAFNEFRIMOPFM-PBHICJAKSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000647316042 392659856 /nfs/dbraw/zinc/65/98/56/392659856.db2.gz MMAFNEFRIMOPFM-PBHICJAKSA-N 2 2 270.420 3.056 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000647315905 392660083 /nfs/dbraw/zinc/66/00/83/392660083.db2.gz FRGFNVGDWRADPD-CHWSQXEVSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000647315905 392660084 /nfs/dbraw/zinc/66/00/84/392660084.db2.gz FRGFNVGDWRADPD-CHWSQXEVSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000311425935 392661552 /nfs/dbraw/zinc/66/15/52/392661552.db2.gz LSUHEWOYSRXQRW-IGCXYCKISA-N 2 2 256.393 3.061 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000311425935 392661562 /nfs/dbraw/zinc/66/15/62/392661562.db2.gz LSUHEWOYSRXQRW-IGCXYCKISA-N 2 2 256.393 3.061 20 0 CGADLP FC(F)C1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000510154146 392786667 /nfs/dbraw/zinc/78/66/67/392786667.db2.gz GFKSGGXNUWNMOW-UHFFFAOYSA-N 2 2 274.399 3.420 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335307493 392787786 /nfs/dbraw/zinc/78/77/86/392787786.db2.gz RZEQJTKJKKBRIP-RUXDESIVSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335307493 392787789 /nfs/dbraw/zinc/78/77/89/392787789.db2.gz RZEQJTKJKKBRIP-RUXDESIVSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C)cc(C)c3)CC2)c1 ZINC000510500885 392801810 /nfs/dbraw/zinc/80/18/10/392801810.db2.gz HAZFFFGKNSPQTF-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP C[C@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)[C@H]1CCC[NH2+]1 ZINC000647803982 392805207 /nfs/dbraw/zinc/80/52/07/392805207.db2.gz GNJLSKKIKACCEJ-SWLSCSKDSA-N 2 2 278.827 3.449 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377802324 392889609 /nfs/dbraw/zinc/88/96/09/392889609.db2.gz INJKVKQNXAGGND-KKUMJFAQSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377802324 392889616 /nfs/dbraw/zinc/88/96/16/392889616.db2.gz INJKVKQNXAGGND-KKUMJFAQSA-N 2 2 275.440 3.462 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000519745458 392890572 /nfs/dbraw/zinc/89/05/72/392890572.db2.gz JWASHPNNJWGIPQ-CQSZACIVSA-N 2 2 251.418 3.468 20 0 CGADLP CC1(CC(F)F)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000648059036 392894453 /nfs/dbraw/zinc/89/44/53/392894453.db2.gz RRJILTBWDPVCCD-UHFFFAOYSA-N 2 2 297.374 3.411 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3c1cccc3F)CCC2 ZINC000338240278 392901985 /nfs/dbraw/zinc/90/19/85/392901985.db2.gz UFGSDOZFGBCCKM-CXAGYDPISA-N 2 2 299.393 3.485 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CC4(CCC4)C3)cn21 ZINC000648078838 392909159 /nfs/dbraw/zinc/90/91/59/392909159.db2.gz NYQFFGMIZOXZIF-UHFFFAOYSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000518969185 392871882 /nfs/dbraw/zinc/87/18/82/392871882.db2.gz CZECOBWHYWMFEM-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000518969185 392871890 /nfs/dbraw/zinc/87/18/90/392871890.db2.gz CZECOBWHYWMFEM-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000337287257 392879484 /nfs/dbraw/zinc/87/94/84/392879484.db2.gz KZKUQAYSSDPAGP-WCQYABFASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000337287257 392879495 /nfs/dbraw/zinc/87/94/95/392879495.db2.gz KZKUQAYSSDPAGP-WCQYABFASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H](C)[NH+]1C ZINC000338785749 392928157 /nfs/dbraw/zinc/92/81/57/392928157.db2.gz NVWUWWIWFZCLBY-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000401649873 392950475 /nfs/dbraw/zinc/95/04/75/392950475.db2.gz KAWZOROCVZPKKH-CVEARBPZSA-N 2 2 263.429 3.469 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000515343622 542735256 /nfs/dbraw/zinc/73/52/56/542735256.db2.gz SACMSQISZRJKDS-UGUYLWEFSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000515343622 542735259 /nfs/dbraw/zinc/73/52/59/542735259.db2.gz SACMSQISZRJKDS-UGUYLWEFSA-N 2 2 252.446 3.274 20 0 CGADLP CCC(CC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000517992365 542736920 /nfs/dbraw/zinc/73/69/20/542736920.db2.gz KZXKLOYIVSNDIP-UHFFFAOYSA-N 2 2 280.378 3.429 20 0 CGADLP CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000195199289 392960913 /nfs/dbraw/zinc/96/09/13/392960913.db2.gz APPKTAPRUSHVAO-KRWDZBQOSA-N 2 2 287.407 3.115 20 0 CGADLP CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000195199289 392960926 /nfs/dbraw/zinc/96/09/26/392960926.db2.gz APPKTAPRUSHVAO-KRWDZBQOSA-N 2 2 287.407 3.115 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000340162662 392965830 /nfs/dbraw/zinc/96/58/30/392965830.db2.gz DHAIVIKOSRQQRA-RDJZCZTQSA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000340162662 392965837 /nfs/dbraw/zinc/96/58/37/392965837.db2.gz DHAIVIKOSRQQRA-RDJZCZTQSA-N 2 2 270.376 3.205 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3cccc(O)c3)c[nH+]c12 ZINC000195454227 392968524 /nfs/dbraw/zinc/96/85/24/392968524.db2.gz IIFHQVWMVGSTIC-ZDUSSCGKSA-N 2 2 281.359 3.199 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccon1 ZINC000340355425 392970302 /nfs/dbraw/zinc/97/03/02/392970302.db2.gz RHWIPWDDLRJXII-YSVLISHTSA-N 2 2 285.391 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccon1 ZINC000340355425 392970307 /nfs/dbraw/zinc/97/03/07/392970307.db2.gz RHWIPWDDLRJXII-YSVLISHTSA-N 2 2 285.391 3.161 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463242021 392971551 /nfs/dbraw/zinc/97/15/51/392971551.db2.gz FLFAULPNPFEHSJ-QWHCGFSZSA-N 2 2 292.389 3.429 20 0 CGADLP c1ccc2cc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000219811646 393002912 /nfs/dbraw/zinc/00/29/12/393002912.db2.gz GOQGGHLGBASSEQ-ZWKOTPCHSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000219811646 393002919 /nfs/dbraw/zinc/00/29/19/393002919.db2.gz GOQGGHLGBASSEQ-ZWKOTPCHSA-N 2 2 266.388 3.024 20 0 CGADLP CC[C@H](C[NH2+]CC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545857316 393011026 /nfs/dbraw/zinc/01/10/26/393011026.db2.gz MWGXIIUDWGWVLR-QGZVFWFLSA-N 2 2 272.436 3.422 20 0 CGADLP CC[C@H](C[NH2+]CC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545857316 393011033 /nfs/dbraw/zinc/01/10/33/393011033.db2.gz MWGXIIUDWGWVLR-QGZVFWFLSA-N 2 2 272.436 3.422 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cnc2ccsc2c1 ZINC000346799941 393094097 /nfs/dbraw/zinc/09/40/97/393094097.db2.gz PBDBGZCTRMHWNA-SCRDCRAPSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cnc2ccsc2c1 ZINC000346799941 393094102 /nfs/dbraw/zinc/09/41/02/393094102.db2.gz PBDBGZCTRMHWNA-SCRDCRAPSA-N 2 2 289.448 3.430 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415024227 393100933 /nfs/dbraw/zinc/10/09/33/393100933.db2.gz YKTQMVTYOWFKEW-ZIAGYGMSSA-N 2 2 284.403 3.188 20 0 CGADLP CC(C)[C@@H](C[NH2+]C1CC(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000467735047 393109549 /nfs/dbraw/zinc/10/95/49/393109549.db2.gz WHNGAOYZCQJKOR-XUJQIHCRSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@@H](C[NH2+]C1CC(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000467735047 393109556 /nfs/dbraw/zinc/10/95/56/393109556.db2.gz WHNGAOYZCQJKOR-XUJQIHCRSA-N 2 2 286.463 3.457 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1OC ZINC000344166163 393039975 /nfs/dbraw/zinc/03/99/75/393039975.db2.gz JTXRDQKEWNRNJS-CABCVRRESA-N 2 2 291.439 3.067 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000414742743 393051934 /nfs/dbraw/zinc/05/19/34/393051934.db2.gz NVKDGGLDRJXBKZ-AQFXKWCLSA-N 2 2 296.499 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2nccn21 ZINC000345366072 393053226 /nfs/dbraw/zinc/05/32/26/393053226.db2.gz YTFVNZKJCHQFJC-GOEBONIOSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2nccn21 ZINC000345366072 393053230 /nfs/dbraw/zinc/05/32/30/393053230.db2.gz YTFVNZKJCHQFJC-GOEBONIOSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]1 ZINC000414951318 393060667 /nfs/dbraw/zinc/06/06/67/393060667.db2.gz PQUAFIJGIXZASW-OCCSQVGLSA-N 2 2 287.432 3.040 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000546691836 393067052 /nfs/dbraw/zinc/06/70/52/393067052.db2.gz QEWMAOVVJRLWLQ-FZKCQIBNSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000546691836 393067061 /nfs/dbraw/zinc/06/70/61/393067061.db2.gz QEWMAOVVJRLWLQ-FZKCQIBNSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964446 393070028 /nfs/dbraw/zinc/07/00/28/393070028.db2.gz YLMLDXYWGGVHHS-SUMWQHHRSA-N 2 2 254.377 3.070 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415055066 393118126 /nfs/dbraw/zinc/11/81/26/393118126.db2.gz QTMHSACDDKKXOK-DLBZAZTESA-N 2 2 286.806 3.185 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CCC1CC1 ZINC000415061504 393121577 /nfs/dbraw/zinc/12/15/77/393121577.db2.gz CUSMUCLWFSBWJY-SUMWQHHRSA-N 2 2 260.425 3.417 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060829 393122310 /nfs/dbraw/zinc/12/23/10/393122310.db2.gz YYEJFJMCJVHKBH-IUODEOHRSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060829 393122312 /nfs/dbraw/zinc/12/23/12/393122312.db2.gz YYEJFJMCJVHKBH-IUODEOHRSA-N 2 2 298.352 3.068 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC000415064740 393124494 /nfs/dbraw/zinc/12/44/94/393124494.db2.gz LJNUOVKJFZITJH-GOSISDBHSA-N 2 2 284.403 3.047 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000415070080 393128352 /nfs/dbraw/zinc/12/83/52/393128352.db2.gz UKMDTLCJWYFKLT-UWWQBHOKSA-N 2 2 290.451 3.044 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415074190 393130082 /nfs/dbraw/zinc/13/00/82/393130082.db2.gz ZQRQYCHWSIJDEI-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415089399 393140913 /nfs/dbraw/zinc/14/09/13/393140913.db2.gz WNOJXXNHWJPTCB-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000415116348 393148576 /nfs/dbraw/zinc/14/85/76/393148576.db2.gz FNVKXGMTNJYQDZ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000415116348 393148585 /nfs/dbraw/zinc/14/85/85/393148585.db2.gz FNVKXGMTNJYQDZ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000415123707 393151096 /nfs/dbraw/zinc/15/10/96/393151096.db2.gz BATYXKHJYKOCKI-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000415123707 393151101 /nfs/dbraw/zinc/15/11/01/393151101.db2.gz BATYXKHJYKOCKI-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000415139886 393155783 /nfs/dbraw/zinc/15/57/83/393155783.db2.gz XLJHGPDPXWMYAM-UHFFFAOYSA-N 2 2 289.448 3.160 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000415139886 393155787 /nfs/dbraw/zinc/15/57/87/393155787.db2.gz XLJHGPDPXWMYAM-UHFFFAOYSA-N 2 2 289.448 3.160 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355154436 393254050 /nfs/dbraw/zinc/25/40/50/393254050.db2.gz KSMLZZPWSSUKHQ-DZGCQCFKSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000355154436 393254058 /nfs/dbraw/zinc/25/40/58/393254058.db2.gz KSMLZZPWSSUKHQ-DZGCQCFKSA-N 2 2 294.389 3.284 20 0 CGADLP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2ccsc21 ZINC000268960100 393210699 /nfs/dbraw/zinc/21/06/99/393210699.db2.gz KVAPBTNDAXRKSW-UHFFFAOYSA-N 2 2 272.377 3.019 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237658 393216305 /nfs/dbraw/zinc/21/63/05/393216305.db2.gz TXFJQKZETLQFCA-AAEUAGOBSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237658 393216310 /nfs/dbraw/zinc/21/63/10/393216310.db2.gz TXFJQKZETLQFCA-AAEUAGOBSA-N 2 2 272.383 3.027 20 0 CGADLP Cc1cnc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000276419955 393299250 /nfs/dbraw/zinc/29/92/50/393299250.db2.gz IGUKDBPNDUPUAK-ZDUSSCGKSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CO[C@H](C)C2)c(C)c1 ZINC000647196378 393381427 /nfs/dbraw/zinc/38/14/27/393381427.db2.gz ZJIQMEHDENZBCA-RYRKJORJSA-N 2 2 299.418 3.008 20 0 CGADLP FC1(F)CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000647206236 393386480 /nfs/dbraw/zinc/38/64/80/393386480.db2.gz MAJACFRDWYZYSH-CQSZACIVSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000647206236 393386486 /nfs/dbraw/zinc/38/64/86/393386486.db2.gz MAJACFRDWYZYSH-CQSZACIVSA-N 2 2 272.383 3.171 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)F ZINC000647225022 393396115 /nfs/dbraw/zinc/39/61/15/393396115.db2.gz IDBJKQYHAKMGPG-GFCCVEGCSA-N 2 2 279.334 3.253 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H](C)CC(F)F)c[nH+]c12 ZINC000647225980 393397562 /nfs/dbraw/zinc/39/75/62/393397562.db2.gz LLLMADFPSWZIBX-JTQLQIEISA-N 2 2 267.323 3.024 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)[C@@H]3CC3(C)C)cn21 ZINC000647262587 393421369 /nfs/dbraw/zinc/42/13/69/393421369.db2.gz FUSCRLZYLDJQCQ-HIFRSBDPSA-N 2 2 271.408 3.209 20 0 CGADLP CC1CC[NH+](CCOc2cccc(-c3c[nH]c[nH+]3)c2)CC1 ZINC000649437504 393428875 /nfs/dbraw/zinc/42/88/75/393428875.db2.gz SZDGXXUTZBDEHD-UHFFFAOYSA-N 2 2 285.391 3.187 20 0 CGADLP CC(C)c1nc(N2CC[C@H]([NH3+])[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000420184033 393433657 /nfs/dbraw/zinc/43/36/57/393433657.db2.gz ISKKHUMQGFPVJX-OLZOCXBDSA-N 2 2 290.455 3.071 20 0 CGADLP CC(C)c1nc(N2CC[C@@](C)(C[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420233662 393441776 /nfs/dbraw/zinc/44/17/76/393441776.db2.gz AFQRCLRUARZMKO-KRWDZBQOSA-N 2 2 290.455 3.073 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[C@H]([NH3+])C3)cc[nH+]c12 ZINC000420273605 393447060 /nfs/dbraw/zinc/44/70/60/393447060.db2.gz DXWCQCUKPNXTRK-STQMWFEESA-N 2 2 285.391 3.173 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)[NH3+] ZINC000420302372 393455529 /nfs/dbraw/zinc/45/55/29/393455529.db2.gz JTUTXRNXHVIVCC-SECBINFHSA-N 2 2 261.196 3.163 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)[NH3+] ZINC000420302372 393455538 /nfs/dbraw/zinc/45/55/38/393455538.db2.gz JTUTXRNXHVIVCC-SECBINFHSA-N 2 2 261.196 3.163 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000427864493 393457199 /nfs/dbraw/zinc/45/71/99/393457199.db2.gz LXYWMYSJSJVXSX-XWIAVFTESA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000427864493 393457205 /nfs/dbraw/zinc/45/72/05/393457205.db2.gz LXYWMYSJSJVXSX-XWIAVFTESA-N 2 2 272.436 3.337 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359633 393473352 /nfs/dbraw/zinc/47/33/52/393473352.db2.gz GFRXHGGQYZMIJD-GYSYKLTISA-N 2 2 286.341 3.182 20 0 CGADLP CCC[C@@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907997 393540582 /nfs/dbraw/zinc/54/05/82/393540582.db2.gz WCCXMDMPROTSJP-MRXNPFEDSA-N 2 2 290.451 3.139 20 0 CGADLP CCC[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907997 393540585 /nfs/dbraw/zinc/54/05/85/393540585.db2.gz WCCXMDMPROTSJP-MRXNPFEDSA-N 2 2 290.451 3.139 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455569 393520872 /nfs/dbraw/zinc/52/08/72/393520872.db2.gz FJZXZEAAVXDZFD-JMSVASOKSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455569 393520875 /nfs/dbraw/zinc/52/08/75/393520875.db2.gz FJZXZEAAVXDZFD-JMSVASOKSA-N 2 2 266.816 3.331 20 0 CGADLP C[C@@H](CSc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000649665823 393533940 /nfs/dbraw/zinc/53/39/40/393533940.db2.gz YPEVOHAPPIECQN-HNNXBMFYSA-N 2 2 289.448 3.386 20 0 CGADLP C[C@@H](CSc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000649665823 393533943 /nfs/dbraw/zinc/53/39/43/393533943.db2.gz YPEVOHAPPIECQN-HNNXBMFYSA-N 2 2 289.448 3.386 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430546705 393573011 /nfs/dbraw/zinc/57/30/11/393573011.db2.gz SQOVMAATIOFHQT-XQQFMLRXSA-N 2 2 279.428 3.092 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430546705 393573019 /nfs/dbraw/zinc/57/30/19/393573019.db2.gz SQOVMAATIOFHQT-XQQFMLRXSA-N 2 2 279.428 3.092 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000430574195 393577995 /nfs/dbraw/zinc/57/79/95/393577995.db2.gz NKYZUKLGIDTFFC-ZDUSSCGKSA-N 2 2 273.207 3.210 20 0 CGADLP C[C@@H](CC[NH3+])[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000666831967 542818588 /nfs/dbraw/zinc/81/85/88/542818588.db2.gz RJZAXOGSBXWVCW-ZETCQYMHSA-N 2 2 281.614 3.474 20 0 CGADLP C[C@H](CC[NH3+])[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000666831965 542818747 /nfs/dbraw/zinc/81/87/47/542818747.db2.gz RJZAXOGSBXWVCW-SSDOTTSWSA-N 2 2 281.614 3.474 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000490115669 393633500 /nfs/dbraw/zinc/63/35/00/393633500.db2.gz YFNHWYXRHJKPQG-MRXNPFEDSA-N 2 2 280.481 3.345 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000490115669 393633506 /nfs/dbraw/zinc/63/35/06/393633506.db2.gz YFNHWYXRHJKPQG-MRXNPFEDSA-N 2 2 280.481 3.345 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421833517 393634347 /nfs/dbraw/zinc/63/43/47/393634347.db2.gz IVLFSQDARGYQFK-AWEZNQCLSA-N 2 2 253.349 3.145 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)[C@H]1CCC[NH2+]1 ZINC000422943229 393647031 /nfs/dbraw/zinc/64/70/31/393647031.db2.gz XSNBXHIWAZCOPB-VQISRLSMSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCOC1 ZINC000423246145 393656241 /nfs/dbraw/zinc/65/62/41/393656241.db2.gz PMAZKKXJMRJJQW-SQNIBIBYSA-N 2 2 290.451 3.215 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CCS2 ZINC000423369095 393663325 /nfs/dbraw/zinc/66/33/25/393663325.db2.gz SIAYCWPYTANIOF-IUIKQTSFSA-N 2 2 290.476 3.428 20 0 CGADLP Fc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543499 393673361 /nfs/dbraw/zinc/67/33/61/393673361.db2.gz BZNCWCHRXQHIQS-BXUZGUMPSA-N 2 2 280.412 3.094 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(C)(C)C1 ZINC000433214301 393700372 /nfs/dbraw/zinc/70/03/72/393700372.db2.gz SKUYUDVXANNXPC-UHFFFAOYSA-N 2 2 287.451 3.347 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)CC1CCOCC1 ZINC000444013233 393784256 /nfs/dbraw/zinc/78/42/56/393784256.db2.gz YACAYQLPJCLPMD-MRXNPFEDSA-N 2 2 296.499 3.151 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)CC1CCOCC1 ZINC000444013233 393784259 /nfs/dbraw/zinc/78/42/59/393784259.db2.gz YACAYQLPJCLPMD-MRXNPFEDSA-N 2 2 296.499 3.151 20 0 CGADLP C[N@H+]1CC=C(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000498724245 393784863 /nfs/dbraw/zinc/78/48/63/393784863.db2.gz ZVQSISGTCCORMA-INIZCTEOSA-N 2 2 294.389 3.104 20 0 CGADLP C[N@@H+]1CC=C(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000498724245 393784866 /nfs/dbraw/zinc/78/48/66/393784866.db2.gz ZVQSISGTCCORMA-INIZCTEOSA-N 2 2 294.389 3.104 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446976679 393864131 /nfs/dbraw/zinc/86/41/31/393864131.db2.gz IRRBFNXGHYXCOG-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446976679 393864135 /nfs/dbraw/zinc/86/41/35/393864135.db2.gz IRRBFNXGHYXCOG-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000449283843 393877906 /nfs/dbraw/zinc/87/79/06/393877906.db2.gz MUVFSRFRTWHINP-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000449283843 393877907 /nfs/dbraw/zinc/87/79/07/393877907.db2.gz MUVFSRFRTWHINP-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(C4(C)CC4)CC3)c[nH+]c12 ZINC000449670284 393937399 /nfs/dbraw/zinc/93/73/99/393937399.db2.gz IQPMZBXJYPTPPK-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474249 393998259 /nfs/dbraw/zinc/99/82/59/393998259.db2.gz PGVFNSRESBDMCX-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474249 393998265 /nfs/dbraw/zinc/99/82/65/393998265.db2.gz PGVFNSRESBDMCX-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474249 393998271 /nfs/dbraw/zinc/99/82/71/393998271.db2.gz PGVFNSRESBDMCX-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474249 393998275 /nfs/dbraw/zinc/99/82/75/393998275.db2.gz PGVFNSRESBDMCX-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@H]([NH+](C)C)CC1 ZINC000450489938 394004543 /nfs/dbraw/zinc/00/45/43/394004543.db2.gz RQLMHWCQZIYORG-AWEZNQCLSA-N 2 2 299.418 3.164 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)cc[nH+]1 ZINC000450497179 394006402 /nfs/dbraw/zinc/00/64/02/394006402.db2.gz CKYKLJMMAJPSMF-MRXNPFEDSA-N 2 2 258.365 3.035 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](CC3=CCCCC3)C2)cc[nH+]1 ZINC000450497179 394006408 /nfs/dbraw/zinc/00/64/08/394006408.db2.gz CKYKLJMMAJPSMF-MRXNPFEDSA-N 2 2 258.365 3.035 20 0 CGADLP c1[nH+]c2n(c1C[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000667472994 542873152 /nfs/dbraw/zinc/87/31/52/542873152.db2.gz ZDEASDDWFDJFMR-UHFFFAOYSA-N 2 2 295.430 3.284 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000453125684 394180558 /nfs/dbraw/zinc/18/05/58/394180558.db2.gz JSDKLLHERKJIJR-OSMZGAPFSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cs1 ZINC000453125684 394180559 /nfs/dbraw/zinc/18/05/59/394180559.db2.gz JSDKLLHERKJIJR-OSMZGAPFSA-N 2 2 264.438 3.332 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000453070129 394160492 /nfs/dbraw/zinc/16/04/92/394160492.db2.gz ZYUPCUGPEXRXOY-SJORKVTESA-N 2 2 289.467 3.257 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000453070129 394160495 /nfs/dbraw/zinc/16/04/95/394160495.db2.gz ZYUPCUGPEXRXOY-SJORKVTESA-N 2 2 289.467 3.257 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccncc1 ZINC000453203012 394203773 /nfs/dbraw/zinc/20/37/73/394203773.db2.gz DSHFGAKRHYWBOA-IAGOWNOFSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000453203012 394203776 /nfs/dbraw/zinc/20/37/76/394203776.db2.gz DSHFGAKRHYWBOA-IAGOWNOFSA-N 2 2 273.424 3.139 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC000453223393 394210783 /nfs/dbraw/zinc/21/07/83/394210783.db2.gz REHRZUFYCXBIMR-IMJJTQAJSA-N 2 2 293.455 3.445 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CCCNc1cccc[nH+]1 ZINC000453139123 394184282 /nfs/dbraw/zinc/18/42/82/394184282.db2.gz WTKFSVUPGGSNCF-MRXNPFEDSA-N 2 2 298.434 3.280 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C3CC3)C3CCC3)c[nH+]c12 ZINC000453627294 394263095 /nfs/dbraw/zinc/26/30/95/394263095.db2.gz VPQBCQZFBRJGOL-INIZCTEOSA-N 2 2 269.392 3.311 20 0 CGADLP COCc1ccccc1/C=C(/C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000453630011 394263923 /nfs/dbraw/zinc/26/39/23/394263923.db2.gz ZWTUHBJGDKILMC-PTNGSMBKSA-N 2 2 290.451 3.166 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C2CC2)C2CCC(C)CC2)n1C ZINC000667498568 542878852 /nfs/dbraw/zinc/87/88/52/542878852.db2.gz NGBXLTYEXHDZJG-UHFFFAOYSA-N 2 2 261.413 3.272 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C2CC2)C2CCC(C)CC2)n1C ZINC000667498568 542878856 /nfs/dbraw/zinc/87/88/56/542878856.db2.gz NGBXLTYEXHDZJG-UHFFFAOYSA-N 2 2 261.413 3.272 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000548653964 289014576 /nfs/dbraw/zinc/01/45/76/289014576.db2.gz NDHGEBXRGIOVAL-OKILXGFUSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000548653964 289014577 /nfs/dbraw/zinc/01/45/77/289014577.db2.gz NDHGEBXRGIOVAL-OKILXGFUSA-N 2 2 264.438 3.148 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCC[C@H]1Cc1ccccc1)CCC2 ZINC000667569083 542891084 /nfs/dbraw/zinc/89/10/84/542891084.db2.gz AGUZLTBNKUBZQV-KRWDZBQOSA-N 2 2 295.430 3.427 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCC[C@H]1Cc1ccccc1)CCC2 ZINC000667569083 542891088 /nfs/dbraw/zinc/89/10/88/542891088.db2.gz AGUZLTBNKUBZQV-KRWDZBQOSA-N 2 2 295.430 3.427 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CC2CC2)C2CCCCC2)n1C ZINC000667588431 542894147 /nfs/dbraw/zinc/89/41/47/542894147.db2.gz YUUHXPCOEWWXGC-UHFFFAOYSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CC2CC2)C2CCCCC2)n1C ZINC000667588431 542894150 /nfs/dbraw/zinc/89/41/50/542894150.db2.gz YUUHXPCOEWWXGC-UHFFFAOYSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC3(CCCCC3)CC2)n1C ZINC000667586109 542894261 /nfs/dbraw/zinc/89/42/61/542894261.db2.gz IZLZPHGTETUMPV-UHFFFAOYSA-N 2 2 261.413 3.275 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667639962 542901814 /nfs/dbraw/zinc/90/18/14/542901814.db2.gz HKVYIVVEMPHHTL-IBGZPJMESA-N 2 2 295.430 3.383 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667639962 542901816 /nfs/dbraw/zinc/90/18/16/542901816.db2.gz HKVYIVVEMPHHTL-IBGZPJMESA-N 2 2 295.430 3.383 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCSC3(CCCCC3)C1)CCC2 ZINC000667674158 542914749 /nfs/dbraw/zinc/91/47/49/542914749.db2.gz ZFGSJQWIDGHWLP-UHFFFAOYSA-N 2 2 291.464 3.081 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000667658463 542909343 /nfs/dbraw/zinc/90/93/43/542909343.db2.gz HOYZXPGXIRLJGN-WFASDCNBSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000667658463 542909346 /nfs/dbraw/zinc/90/93/46/542909346.db2.gz HOYZXPGXIRLJGN-WFASDCNBSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@@H+](Cc1c[nH+]c3n1CCC3)C2 ZINC000668208734 542989329 /nfs/dbraw/zinc/98/93/29/542989329.db2.gz IQFMUHCZQYAUBN-UHFFFAOYSA-N 2 2 295.430 3.475 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@H+](Cc1c[nH+]c3n1CCC3)C2 ZINC000668208734 542989326 /nfs/dbraw/zinc/98/93/26/542989326.db2.gz IQFMUHCZQYAUBN-UHFFFAOYSA-N 2 2 295.430 3.475 20 0 CGADLP CC(C)(C)C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668229082 542994215 /nfs/dbraw/zinc/99/42/15/542994215.db2.gz YJHUEBJIVBTVGZ-CYBMUJFWSA-N 2 2 261.413 3.087 20 0 CGADLP CC(C)(C)C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668229082 542994217 /nfs/dbraw/zinc/99/42/17/542994217.db2.gz YJHUEBJIVBTVGZ-CYBMUJFWSA-N 2 2 261.413 3.087 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)n1C ZINC000668228232 542994490 /nfs/dbraw/zinc/99/44/90/542994490.db2.gz DBGHXEAKGODDFJ-OAHLLOKOSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCCC3)[C@H]2C(C)C)n1C ZINC000668228232 542994492 /nfs/dbraw/zinc/99/44/92/542994492.db2.gz DBGHXEAKGODDFJ-OAHLLOKOSA-N 2 2 261.413 3.129 20 0 CGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000668241825 542997148 /nfs/dbraw/zinc/99/71/48/542997148.db2.gz PAVCUECKVQUONB-GJZGRUSLSA-N 2 2 275.440 3.476 20 0 CGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000668241825 542997150 /nfs/dbraw/zinc/99/71/50/542997150.db2.gz PAVCUECKVQUONB-GJZGRUSLSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458212 543014746 /nfs/dbraw/zinc/01/47/46/543014746.db2.gz CJOAFJLDYMSKSI-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458212 543014748 /nfs/dbraw/zinc/01/47/48/543014748.db2.gz CJOAFJLDYMSKSI-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2c(C3CCC3)cnn2C)c[nH+]1 ZINC000668637030 543040058 /nfs/dbraw/zinc/04/00/58/543040058.db2.gz JPHSPCCPJGBNPP-UHFFFAOYSA-N 2 2 298.434 3.113 20 0 CGADLP CC(C)c1[nH+]c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c2ccccn21 ZINC000668677844 543043383 /nfs/dbraw/zinc/04/33/83/543043383.db2.gz YPTTZROYAAZBMP-ZIAGYGMSSA-N 2 2 269.392 3.300 20 0 CGADLP CC(C)c1[nH+]c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c2ccccn21 ZINC000668677844 543043386 /nfs/dbraw/zinc/04/33/86/543043386.db2.gz YPTTZROYAAZBMP-ZIAGYGMSSA-N 2 2 269.392 3.300 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669847648 543127800 /nfs/dbraw/zinc/12/78/00/543127800.db2.gz KIQUIMHLKZCABB-XWTMOSNGSA-N 2 2 295.430 3.482 20 0 CGADLP C[C@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)CC(C)(C)C ZINC000419699646 397699848 /nfs/dbraw/zinc/69/98/48/397699848.db2.gz WURHREVTMAAYAQ-CYBMUJFWSA-N 2 2 280.460 3.038 20 0 CGADLP CC[C@@H](OCC[NH2+]CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000650710206 397898218 /nfs/dbraw/zinc/89/82/18/397898218.db2.gz HSCRUHWSDIOHGB-MRXNPFEDSA-N 2 2 278.440 3.132 20 0 CGADLP CC[C@H](OCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742179 397905158 /nfs/dbraw/zinc/90/51/58/397905158.db2.gz SINOBCWFLJOGTE-NXHRZFHOSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000675495451 543344435 /nfs/dbraw/zinc/34/44/35/543344435.db2.gz GUXXXDQJKUGJIV-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000675495451 543344437 /nfs/dbraw/zinc/34/44/37/543344437.db2.gz GUXXXDQJKUGJIV-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000675768482 543362883 /nfs/dbraw/zinc/36/28/83/543362883.db2.gz YPDSUHZSKVNSQO-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000675768482 543362884 /nfs/dbraw/zinc/36/28/84/543362884.db2.gz YPDSUHZSKVNSQO-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675833679 543368544 /nfs/dbraw/zinc/36/85/44/543368544.db2.gz MVZURHXCHJGRHA-DYVFJYSZSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675833679 543368545 /nfs/dbraw/zinc/36/85/45/543368545.db2.gz MVZURHXCHJGRHA-DYVFJYSZSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833786 543368590 /nfs/dbraw/zinc/36/85/90/543368590.db2.gz PAPAVEKTAXJJMU-MAUKXSAKSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833786 543368592 /nfs/dbraw/zinc/36/85/92/543368592.db2.gz PAPAVEKTAXJJMU-MAUKXSAKSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905919 543372689 /nfs/dbraw/zinc/37/26/89/543372689.db2.gz GOMGOEYLMYCLHL-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905919 543372691 /nfs/dbraw/zinc/37/26/91/543372691.db2.gz GOMGOEYLMYCLHL-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479410 543398747 /nfs/dbraw/zinc/39/87/47/543398747.db2.gz SUSDNSWITFXTKG-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479410 543398749 /nfs/dbraw/zinc/39/87/49/543398749.db2.gz SUSDNSWITFXTKG-KRWDZBQOSA-N 2 2 299.418 3.216 20 0 CGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305748 286003364 /nfs/dbraw/zinc/00/33/64/286003364.db2.gz GXWFQXGVMWAXKT-KBAYOESNSA-N 2 2 299.418 3.154 20 0 CGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305748 286003367 /nfs/dbraw/zinc/00/33/67/286003367.db2.gz GXWFQXGVMWAXKT-KBAYOESNSA-N 2 2 299.418 3.154 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)c[nH+]1 ZINC000678235892 543498265 /nfs/dbraw/zinc/49/82/65/543498265.db2.gz ZGGFZKNWADCJHO-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)c[nH+]1 ZINC000678235892 543498266 /nfs/dbraw/zinc/49/82/66/543498266.db2.gz ZGGFZKNWADCJHO-INIZCTEOSA-N 2 2 292.386 3.268 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188782 543491893 /nfs/dbraw/zinc/49/18/93/543491893.db2.gz LLPXZIXUTBGJJP-HUUCEWRRSA-N 2 2 297.402 3.155 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188782 543491896 /nfs/dbraw/zinc/49/18/96/543491896.db2.gz LLPXZIXUTBGJJP-HUUCEWRRSA-N 2 2 297.402 3.155 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685995 543549842 /nfs/dbraw/zinc/54/98/42/543549842.db2.gz MVKOJXWECPEZGY-ROUUACIJSA-N 2 2 288.410 3.351 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685995 543549843 /nfs/dbraw/zinc/54/98/43/543549843.db2.gz MVKOJXWECPEZGY-ROUUACIJSA-N 2 2 288.410 3.351 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312414 289268150 /nfs/dbraw/zinc/26/81/50/289268150.db2.gz UOOLGOPABRAMNH-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312414 289268153 /nfs/dbraw/zinc/26/81/53/289268153.db2.gz UOOLGOPABRAMNH-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP COc1cc(C)[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c1 ZINC000298062444 286213882 /nfs/dbraw/zinc/21/38/82/286213882.db2.gz GJSXEZFVIPSOMH-NWDGAFQWSA-N 2 2 285.391 3.014 20 0 CGADLP COCCC[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442881370 292377952 /nfs/dbraw/zinc/37/79/52/292377952.db2.gz ZGHOVMZUOJXXTL-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017603 543583153 /nfs/dbraw/zinc/58/31/53/543583153.db2.gz XETFPJXCGCXMCW-XJKSGUPXSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017603 543583155 /nfs/dbraw/zinc/58/31/55/543583155.db2.gz XETFPJXCGCXMCW-XJKSGUPXSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)COC2 ZINC000423377798 287039377 /nfs/dbraw/zinc/03/93/77/287039377.db2.gz FLVVVOUFSLMVQK-CXAGYDPISA-N 2 2 288.435 3.146 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000079204043 287054963 /nfs/dbraw/zinc/05/49/63/287054963.db2.gz YBIAKKADQSQDJQ-MRXNPFEDSA-N 2 2 254.377 3.103 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc2c(s1)CCCC2 ZINC000423503570 287064367 /nfs/dbraw/zinc/06/43/67/287064367.db2.gz MVYYCAZMMYRXEL-BXUZGUMPSA-N 2 2 293.480 3.190 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000069286831 165050285 /nfs/dbraw/zinc/05/02/85/165050285.db2.gz YGYDUTMOSSTTOS-QGZVFWFLSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000069286831 165050288 /nfs/dbraw/zinc/05/02/88/165050288.db2.gz YGYDUTMOSSTTOS-QGZVFWFLSA-N 2 2 296.414 3.175 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000079706251 165149248 /nfs/dbraw/zinc/14/92/48/165149248.db2.gz KWMQEGMKNLDZAI-SJORKVTESA-N 2 2 278.440 3.084 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573152 165166067 /nfs/dbraw/zinc/16/60/67/165166067.db2.gz YBZVEDJLPBHONF-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573152 165166068 /nfs/dbraw/zinc/16/60/68/165166068.db2.gz YBZVEDJLPBHONF-NVXWUHKLSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1F ZINC000084864024 165175761 /nfs/dbraw/zinc/17/57/61/165175761.db2.gz VEXRBQOHEKMLTE-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1F ZINC000084864024 165175769 /nfs/dbraw/zinc/17/57/69/165175769.db2.gz VEXRBQOHEKMLTE-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1F ZINC000084864024 165175772 /nfs/dbraw/zinc/17/57/72/165175772.db2.gz VEXRBQOHEKMLTE-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1F ZINC000084864024 165175780 /nfs/dbraw/zinc/17/57/80/165175780.db2.gz VEXRBQOHEKMLTE-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000092253410 165288087 /nfs/dbraw/zinc/28/80/87/165288087.db2.gz USKSFAVPRGSKAM-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000092253410 165288089 /nfs/dbraw/zinc/28/80/89/165288089.db2.gz USKSFAVPRGSKAM-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000092253410 165288092 /nfs/dbraw/zinc/28/80/92/165288092.db2.gz USKSFAVPRGSKAM-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000092253410 165288094 /nfs/dbraw/zinc/28/80/94/165288094.db2.gz USKSFAVPRGSKAM-ZDUSSCGKSA-N 2 2 281.469 3.040 20 0 CGADLP COc1ccccc1/C=C/C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648690 165307383 /nfs/dbraw/zinc/30/73/83/165307383.db2.gz FYSMQPHQCCDCJX-GQCTYLIASA-N 2 2 297.402 3.242 20 0 CGADLP c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016570 165321033 /nfs/dbraw/zinc/32/10/33/165321033.db2.gz LSVKBYCTBKJIIN-HNNXBMFYSA-N 2 2 293.480 3.231 20 0 CGADLP c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016570 165321035 /nfs/dbraw/zinc/32/10/35/165321035.db2.gz LSVKBYCTBKJIIN-HNNXBMFYSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000093683842 287118531 /nfs/dbraw/zinc/11/85/31/287118531.db2.gz LUFGVMBAPSBWMK-QGZVFWFLSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000093683842 287118533 /nfs/dbraw/zinc/11/85/33/287118533.db2.gz LUFGVMBAPSBWMK-QGZVFWFLSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCc4occc43)c[nH+]c12 ZINC000174265254 165572619 /nfs/dbraw/zinc/57/26/19/165572619.db2.gz FFHYLQXZQIXXQE-OAHLLOKOSA-N 2 2 281.359 3.403 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128742 171016179 /nfs/dbraw/zinc/01/61/79/171016179.db2.gz PYALZBIPQQHZGW-GDBMZVCRSA-N 2 2 276.424 3.369 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCCc3ccccc32)c[nH+]1 ZINC000020506316 171229032 /nfs/dbraw/zinc/22/90/32/171229032.db2.gz HPMBBJQMGXFBRC-QGZVFWFLSA-N 2 2 269.392 3.331 20 0 CGADLP C[C@@H](c1ccccn1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285628091 196349321 /nfs/dbraw/zinc/34/93/21/196349321.db2.gz LEMTUOVBHKHJOX-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1ccccn1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285628091 196349322 /nfs/dbraw/zinc/34/93/22/196349322.db2.gz LEMTUOVBHKHJOX-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1ccccn1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285628091 196349324 /nfs/dbraw/zinc/34/93/24/196349324.db2.gz LEMTUOVBHKHJOX-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1ccccn1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285628091 196349326 /nfs/dbraw/zinc/34/93/26/196349326.db2.gz LEMTUOVBHKHJOX-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000037996437 173957823 /nfs/dbraw/zinc/95/78/23/173957823.db2.gz GQUVEYRUDYHFBL-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038029053 174018864 /nfs/dbraw/zinc/01/88/64/174018864.db2.gz HVNMVLLVBNUMIT-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](CC1CC1)c1ccccc1 ZINC000127451957 287288293 /nfs/dbraw/zinc/28/82/93/287288293.db2.gz ALSYUXRISKPJJX-UHFFFAOYSA-N 2 2 269.392 3.498 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](CC1CC1)c1ccccc1 ZINC000127451957 287288295 /nfs/dbraw/zinc/28/82/95/287288295.db2.gz ALSYUXRISKPJJX-UHFFFAOYSA-N 2 2 269.392 3.498 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000040500743 174297201 /nfs/dbraw/zinc/29/72/01/174297201.db2.gz PIGVOWLNPNEAKC-CVEARBPZSA-N 2 2 271.408 3.191 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000128260506 287307195 /nfs/dbraw/zinc/30/71/95/287307195.db2.gz CRRUHTGFXSNRAK-HZPDHXFCSA-N 2 2 290.451 3.263 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128966214 287321830 /nfs/dbraw/zinc/32/18/30/287321830.db2.gz XQWNQQWVVJTVBJ-HOCLYGCPSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128966214 287321834 /nfs/dbraw/zinc/32/18/34/287321834.db2.gz XQWNQQWVVJTVBJ-HOCLYGCPSA-N 2 2 272.436 3.179 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310843709 416532576 /nfs/dbraw/zinc/53/25/76/416532576.db2.gz BPQIHLKOWZUPJQ-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310843709 416532578 /nfs/dbraw/zinc/53/25/78/416532578.db2.gz BPQIHLKOWZUPJQ-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000342734855 416541206 /nfs/dbraw/zinc/54/12/06/416541206.db2.gz OQNSFAZSXOVBBL-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000342734855 416541212 /nfs/dbraw/zinc/54/12/12/416541212.db2.gz OQNSFAZSXOVBBL-GDBMZVCRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000679040196 543585988 /nfs/dbraw/zinc/58/59/88/543585988.db2.gz ZXKOCPWCXXPDHM-CKEIUWERSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000679040196 543585991 /nfs/dbraw/zinc/58/59/91/543585991.db2.gz ZXKOCPWCXXPDHM-CKEIUWERSA-N 2 2 264.457 3.275 20 0 CGADLP C(=C\[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000679545406 543644969 /nfs/dbraw/zinc/64/49/69/543644969.db2.gz MYTMQCWXAREHSM-JJEJIETFSA-N 2 2 267.376 3.061 20 0 CGADLP C(=C\[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000679545406 543644970 /nfs/dbraw/zinc/64/49/70/543644970.db2.gz MYTMQCWXAREHSM-JJEJIETFSA-N 2 2 267.376 3.061 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC(C)(C)C3)[nH+]c12 ZINC000680341635 543700639 /nfs/dbraw/zinc/70/06/39/543700639.db2.gz AKZFNBBHNSGMCP-CQSZACIVSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1F ZINC000680335760 543699737 /nfs/dbraw/zinc/69/97/37/543699737.db2.gz ZXTLJAQAANPVKT-FZMZJTMJSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1F ZINC000680335760 543699739 /nfs/dbraw/zinc/69/97/39/543699739.db2.gz ZXTLJAQAANPVKT-FZMZJTMJSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679985657 543672363 /nfs/dbraw/zinc/67/23/63/543672363.db2.gz GRRLISFFXVTOGY-HIFRSBDPSA-N 2 2 275.421 3.213 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679985657 543672365 /nfs/dbraw/zinc/67/23/65/543672365.db2.gz GRRLISFFXVTOGY-HIFRSBDPSA-N 2 2 275.421 3.213 20 0 CGADLP CC(C)[C@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCC(C)CC1 ZINC000681089230 543764172 /nfs/dbraw/zinc/76/41/72/543764172.db2.gz LBOPMYLNTXTNRA-NRXISQOPSA-N 2 2 288.426 3.376 20 0 CGADLP Cc1cccc(N2CCC[N@H+](Cc3ccccc3C)CC2)[nH+]1 ZINC000681208075 543773027 /nfs/dbraw/zinc/77/30/27/543773027.db2.gz RVRYJSDSNAJYKL-UHFFFAOYSA-N 2 2 295.430 3.411 20 0 CGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccccc3C)CC2)[nH+]1 ZINC000681208075 543773030 /nfs/dbraw/zinc/77/30/30/543773030.db2.gz RVRYJSDSNAJYKL-UHFFFAOYSA-N 2 2 295.430 3.411 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681976150 543813145 /nfs/dbraw/zinc/81/31/45/543813145.db2.gz UFVOQOSHHQGIDA-GUDVDZBRSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681976150 543813147 /nfs/dbraw/zinc/81/31/47/543813147.db2.gz UFVOQOSHHQGIDA-GUDVDZBRSA-N 2 2 284.447 3.397 20 0 CGADLP c1[nH]cc(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)[nH+]1 ZINC000682072365 543820975 /nfs/dbraw/zinc/82/09/75/543820975.db2.gz MDTIXUXZYOXTEX-KRWDZBQOSA-N 2 2 267.376 3.277 20 0 CGADLP CCO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000683011176 543887710 /nfs/dbraw/zinc/88/77/10/543887710.db2.gz NMUMWVHWLSRHSD-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CCO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000683011176 543887712 /nfs/dbraw/zinc/88/77/12/543887712.db2.gz NMUMWVHWLSRHSD-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000683698346 543933142 /nfs/dbraw/zinc/93/31/42/543933142.db2.gz DEBLRDAKKFFMMA-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000683698346 543933144 /nfs/dbraw/zinc/93/31/44/543933144.db2.gz DEBLRDAKKFFMMA-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP Clc1cccc(Cl)c1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684613361 544019046 /nfs/dbraw/zinc/01/90/46/544019046.db2.gz PQNRZTVBQKEKSC-RYUDHWBXSA-N 2 2 299.245 3.077 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684677404 544025568 /nfs/dbraw/zinc/02/55/68/544025568.db2.gz XZMUFWMYZJOKHX-RKTXRCNFSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684677404 544025571 /nfs/dbraw/zinc/02/55/71/544025571.db2.gz XZMUFWMYZJOKHX-RKTXRCNFSA-N 2 2 264.457 3.275 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000684383168 543990341 /nfs/dbraw/zinc/99/03/41/543990341.db2.gz TTZPOJZUWFQSNX-YXJHDRRASA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](OC(F)F)C2)c[nH+]1 ZINC000684392988 543992053 /nfs/dbraw/zinc/99/20/53/543992053.db2.gz CRGGSDUMQKITQD-CQSZACIVSA-N 2 2 284.350 3.026 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](OC(F)F)C2)c[nH+]1 ZINC000684392988 543992056 /nfs/dbraw/zinc/99/20/56/543992056.db2.gz CRGGSDUMQKITQD-CQSZACIVSA-N 2 2 284.350 3.026 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000685419254 544067098 /nfs/dbraw/zinc/06/70/98/544067098.db2.gz GLXGRRAAHJRWLD-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000685419254 544067101 /nfs/dbraw/zinc/06/71/01/544067101.db2.gz GLXGRRAAHJRWLD-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1Cl ZINC000685470371 544077946 /nfs/dbraw/zinc/07/79/46/544077946.db2.gz JDDZHERVQLCRTG-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1Cl ZINC000685470371 544077948 /nfs/dbraw/zinc/07/79/48/544077948.db2.gz JDDZHERVQLCRTG-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cscc1Cl ZINC000685470371 544077950 /nfs/dbraw/zinc/07/79/50/544077950.db2.gz JDDZHERVQLCRTG-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cscc1Cl ZINC000685470371 544077951 /nfs/dbraw/zinc/07/79/51/544077951.db2.gz JDDZHERVQLCRTG-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000685470831 544078856 /nfs/dbraw/zinc/07/88/56/544078856.db2.gz VAJGRVJSADHCME-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000685470831 544078860 /nfs/dbraw/zinc/07/88/60/544078860.db2.gz VAJGRVJSADHCME-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000685470831 544078861 /nfs/dbraw/zinc/07/88/61/544078861.db2.gz VAJGRVJSADHCME-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000685470831 544078865 /nfs/dbraw/zinc/07/88/65/544078865.db2.gz VAJGRVJSADHCME-UKRRQHHQSA-N 2 2 293.480 3.012 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471123 544078930 /nfs/dbraw/zinc/07/89/30/544078930.db2.gz NITKUCKSWJFHLM-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471123 544078933 /nfs/dbraw/zinc/07/89/33/544078933.db2.gz NITKUCKSWJFHLM-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cscc2Cl)C1 ZINC000685471123 544078935 /nfs/dbraw/zinc/07/89/35/544078935.db2.gz NITKUCKSWJFHLM-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cscc2Cl)C1 ZINC000685471123 544078939 /nfs/dbraw/zinc/07/89/39/544078939.db2.gz NITKUCKSWJFHLM-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662270 544093305 /nfs/dbraw/zinc/09/33/05/544093305.db2.gz DKJJZOPEIQJGTL-RVZJWNSFSA-N 2 2 281.403 3.180 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662270 544093307 /nfs/dbraw/zinc/09/33/07/544093307.db2.gz DKJJZOPEIQJGTL-RVZJWNSFSA-N 2 2 281.403 3.180 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653299405 419025542 /nfs/dbraw/zinc/02/55/42/419025542.db2.gz SCWJWSMVOANAPU-MFKMUULPSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653299405 419025547 /nfs/dbraw/zinc/02/55/47/419025547.db2.gz SCWJWSMVOANAPU-MFKMUULPSA-N 2 2 291.420 3.023 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000659974975 419050411 /nfs/dbraw/zinc/05/04/11/419050411.db2.gz SLOYYGZFDVBDPT-YHUYYLMFSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000659974975 419050413 /nfs/dbraw/zinc/05/04/13/419050413.db2.gz SLOYYGZFDVBDPT-YHUYYLMFSA-N 2 2 252.446 3.085 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244221 419090523 /nfs/dbraw/zinc/09/05/23/419090523.db2.gz JCHFISSZZUOCFI-LSDHHAIUSA-N 2 2 292.398 3.117 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCC[C@H]1C ZINC000655772404 419093070 /nfs/dbraw/zinc/09/30/70/419093070.db2.gz GRDRMWCSUVOGAA-ATLSCFEFSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)s1 ZINC000665277537 419099906 /nfs/dbraw/zinc/09/99/06/419099906.db2.gz DTBDTAIRODANBP-RUETXSTFSA-N 2 2 270.829 3.194 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278883 419100672 /nfs/dbraw/zinc/10/06/72/419100672.db2.gz QOQHGUWNNKAPFY-WHENESEISA-N 2 2 284.403 3.398 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000665295371 419108321 /nfs/dbraw/zinc/10/83/21/419108321.db2.gz CKGQJSONLMMVSF-VXGBXAGGSA-N 2 2 289.448 3.377 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665295697 419108693 /nfs/dbraw/zinc/10/86/93/419108693.db2.gz HUBDTBNZVFBQMY-RYUDHWBXSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000665296558 419108833 /nfs/dbraw/zinc/10/88/33/419108833.db2.gz UPZVTPGUXJDSIG-NRUUGDAUSA-N 2 2 297.240 3.195 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000665296504 419109165 /nfs/dbraw/zinc/10/91/65/419109165.db2.gz TZPRZLHJSSKUSC-BEFAXECRSA-N 2 2 298.430 3.177 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665295698 419109201 /nfs/dbraw/zinc/10/92/01/419109201.db2.gz HUBDTBNZVFBQMY-VXGBXAGGSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000665295658 419109491 /nfs/dbraw/zinc/10/94/91/419109491.db2.gz HITOIIVZYXFPDF-HZMBPMFUSA-N 2 2 297.240 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000665297639 419110252 /nfs/dbraw/zinc/11/02/52/419110252.db2.gz JCLJKEYACCSMLL-NWDGAFQWSA-N 2 2 260.356 3.237 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000665298676 419110898 /nfs/dbraw/zinc/11/08/98/419110898.db2.gz ZUWAUJFCJFAINX-LRDDRELGSA-N 2 2 271.408 3.051 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000665296927 419111406 /nfs/dbraw/zinc/11/14/06/419111406.db2.gz ZTWANMAAZRJPPF-GXFFZTMASA-N 2 2 284.856 3.465 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848366 419118167 /nfs/dbraw/zinc/11/81/67/419118167.db2.gz IDIFACRSZAYOON-RCCFBDPRSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848366 419118170 /nfs/dbraw/zinc/11/81/70/419118170.db2.gz IDIFACRSZAYOON-RCCFBDPRSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847902 419119493 /nfs/dbraw/zinc/11/94/93/419119493.db2.gz FLLLRWIDJDPPLG-HYVNUMGLSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847902 419119495 /nfs/dbraw/zinc/11/94/95/419119495.db2.gz FLLLRWIDJDPPLG-HYVNUMGLSA-N 2 2 276.424 3.207 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655849873 419120039 /nfs/dbraw/zinc/12/00/39/419120039.db2.gz ZWPRKVDSDWIJMI-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655849873 419120040 /nfs/dbraw/zinc/12/00/40/419120040.db2.gz ZWPRKVDSDWIJMI-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848789 419120692 /nfs/dbraw/zinc/12/06/92/419120692.db2.gz KVMWDRURYSLJEH-FJBKBRRZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848789 419120694 /nfs/dbraw/zinc/12/06/94/419120694.db2.gz KVMWDRURYSLJEH-FJBKBRRZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000655684784 419064583 /nfs/dbraw/zinc/06/45/83/419064583.db2.gz XJZOLDIQKPWDEB-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CC2 ZINC000655688148 419064960 /nfs/dbraw/zinc/06/49/60/419064960.db2.gz NFWFVMOSDQBJSD-GDBMZVCRSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CC[C@@H](C)SC3)[nH+]c12 ZINC000655719911 419077354 /nfs/dbraw/zinc/07/73/54/419077354.db2.gz WXJJDQAQQCYUSP-UKRRQHHQSA-N 2 2 289.448 3.059 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000656224939 419154612 /nfs/dbraw/zinc/15/46/12/419154612.db2.gz AYESWTWMWLYEGC-CABCVRRESA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000656224939 419154614 /nfs/dbraw/zinc/15/46/14/419154614.db2.gz AYESWTWMWLYEGC-CABCVRRESA-N 2 2 286.423 3.091 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000656279044 419165311 /nfs/dbraw/zinc/16/53/11/419165311.db2.gz VIKGOXYSDXIFDI-FZKCQIBNSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CS1 ZINC000656279044 419165314 /nfs/dbraw/zinc/16/53/14/419165314.db2.gz VIKGOXYSDXIFDI-FZKCQIBNSA-N 2 2 282.497 3.123 20 0 CGADLP CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857357 419125705 /nfs/dbraw/zinc/12/57/05/419125705.db2.gz TXEKGCLTNNQDRB-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857357 419125707 /nfs/dbraw/zinc/12/57/07/419125707.db2.gz TXEKGCLTNNQDRB-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000655938398 419127631 /nfs/dbraw/zinc/12/76/31/419127631.db2.gz VCKUEJDSFWRACO-KRWDZBQOSA-N 2 2 278.440 3.282 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345145 419256058 /nfs/dbraw/zinc/25/60/58/419256058.db2.gz IFDSQKAFTPAKBQ-HIFRSBDPSA-N 2 2 261.413 3.278 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345897 419256063 /nfs/dbraw/zinc/25/60/63/419256063.db2.gz TZRROVJOWZCDLO-HIFRSBDPSA-N 2 2 261.413 3.278 20 0 CGADLP c1[nH]c2ccccc2c1CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353641 419257641 /nfs/dbraw/zinc/25/76/41/419257641.db2.gz KNEGHRXLPXTWLG-UHFFFAOYSA-N 2 2 294.402 3.033 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661436914 419260143 /nfs/dbraw/zinc/26/01/43/419260143.db2.gz WXEBVKHWTVIEHW-MRXNPFEDSA-N 2 2 285.391 3.173 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661436914 419260146 /nfs/dbraw/zinc/26/01/46/419260146.db2.gz WXEBVKHWTVIEHW-MRXNPFEDSA-N 2 2 285.391 3.173 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H](C)c1ccccc1 ZINC000657384163 419265832 /nfs/dbraw/zinc/26/58/32/419265832.db2.gz MNBPTZOYNRAUOY-UONOGXRCSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676576 419198239 /nfs/dbraw/zinc/19/82/39/419198239.db2.gz OIXBJSMTLJBDDQ-SWLSCSKDSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676576 419198242 /nfs/dbraw/zinc/19/82/42/419198242.db2.gz OIXBJSMTLJBDDQ-SWLSCSKDSA-N 2 2 264.388 3.349 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656784054 419218457 /nfs/dbraw/zinc/21/84/57/419218457.db2.gz YCQSVGCLOYIPQG-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656784054 419218459 /nfs/dbraw/zinc/21/84/59/419218459.db2.gz YCQSVGCLOYIPQG-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510479 419268385 /nfs/dbraw/zinc/26/83/85/419268385.db2.gz HDXKOGJBTOPNAL-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510479 419268387 /nfs/dbraw/zinc/26/83/87/419268387.db2.gz HDXKOGJBTOPNAL-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510479 419268390 /nfs/dbraw/zinc/26/83/90/419268390.db2.gz HDXKOGJBTOPNAL-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510479 419268391 /nfs/dbraw/zinc/26/83/91/419268391.db2.gz HDXKOGJBTOPNAL-IRXDYDNUSA-N 2 2 276.399 3.447 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000657285984 419242037 /nfs/dbraw/zinc/24/20/37/419242037.db2.gz KBVPJCCPOXAMDJ-ZNMIVQPWSA-N 2 2 294.464 3.042 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438338 419278987 /nfs/dbraw/zinc/27/89/87/419278987.db2.gz PBLQKIBTMBJWTL-ZDUSSCGKSA-N 2 2 273.405 3.058 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CO1 ZINC000657445676 419280945 /nfs/dbraw/zinc/28/09/45/419280945.db2.gz ICCXCZGXTSTTNW-KYHPRHEASA-N 2 2 290.451 3.143 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657476145 419287979 /nfs/dbraw/zinc/28/79/79/419287979.db2.gz BFACAVMTMPCXNT-MRXNPFEDSA-N 2 2 285.366 3.136 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525242 419297293 /nfs/dbraw/zinc/29/72/93/419297293.db2.gz VUQADCMKPOJKJN-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525242 419297294 /nfs/dbraw/zinc/29/72/94/419297294.db2.gz VUQADCMKPOJKJN-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525634 419298104 /nfs/dbraw/zinc/29/81/04/419298104.db2.gz UQVXPPGPLWFXSI-HNNXBMFYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525634 419298106 /nfs/dbraw/zinc/29/81/06/419298106.db2.gz UQVXPPGPLWFXSI-HNNXBMFYSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657526622 419298681 /nfs/dbraw/zinc/29/86/81/419298681.db2.gz JSOJJLDNOVUYCG-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657526622 419298682 /nfs/dbraw/zinc/29/86/82/419298682.db2.gz JSOJJLDNOVUYCG-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000657564669 419306108 /nfs/dbraw/zinc/30/61/08/419306108.db2.gz YLGOEXIDMTXISL-NXOAAHMSSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000657564669 419306110 /nfs/dbraw/zinc/30/61/10/419306110.db2.gz YLGOEXIDMTXISL-NXOAAHMSSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1CC[C@@](C)(C[NH2+]Cc2c[nH+]c3n2CCC3)C1(C)C ZINC000657590227 419311518 /nfs/dbraw/zinc/31/15/18/419311518.db2.gz YGXUPFSWQGCJFA-GUYCJALGSA-N 2 2 275.440 3.381 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667039 419324131 /nfs/dbraw/zinc/32/41/31/419324131.db2.gz XBIICQNBSXXKGB-VNQPRFMTSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657667039 419324132 /nfs/dbraw/zinc/32/41/32/419324132.db2.gz XBIICQNBSXXKGB-VNQPRFMTSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC3CCC3)n2c1 ZINC000657667933 419324419 /nfs/dbraw/zinc/32/44/19/419324419.db2.gz UWLQJEYKDVXNAZ-UHFFFAOYSA-N 2 2 257.381 3.313 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(F)F ZINC000657668466 419324922 /nfs/dbraw/zinc/32/49/22/419324922.db2.gz GIXMAOAJBNMUEQ-AWEZNQCLSA-N 2 2 277.318 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000657742530 419335261 /nfs/dbraw/zinc/33/52/61/419335261.db2.gz SICZOQPORYJZTE-ABCZVMIZSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000657742530 419335264 /nfs/dbraw/zinc/33/52/64/419335264.db2.gz SICZOQPORYJZTE-ABCZVMIZSA-N 2 2 280.362 3.052 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000657751791 419337239 /nfs/dbraw/zinc/33/72/39/419337239.db2.gz KIIVKHJSORTLPC-SOLBZPMBSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662159159 419348531 /nfs/dbraw/zinc/34/85/31/419348531.db2.gz ZNZWVPCCQHXGBL-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662159159 419348536 /nfs/dbraw/zinc/34/85/36/419348536.db2.gz ZNZWVPCCQHXGBL-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP CCOc1ccc(NCc2c[nH+]c3cccc(C)n23)[nH+]c1C ZINC000657795529 419357861 /nfs/dbraw/zinc/35/78/61/419357861.db2.gz KRAASQDJZZPLFY-UHFFFAOYSA-N 2 2 296.374 3.357 20 0 CGADLP COC1([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000657849150 419388466 /nfs/dbraw/zinc/38/84/66/419388466.db2.gz COPOCIZCZRJMDX-CYBMUJFWSA-N 2 2 287.407 3.043 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCCSCC2)[nH+]c1 ZINC000657867319 419393777 /nfs/dbraw/zinc/39/37/77/419393777.db2.gz FWBASTFLHRPNRX-CQSZACIVSA-N 2 2 279.453 3.149 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657821811 419372318 /nfs/dbraw/zinc/37/23/18/419372318.db2.gz TVFZMPOYZGGFPY-HNNXBMFYSA-N 2 2 299.418 3.036 20 0 CGADLP C[N@H+](CCSc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000662274975 419382421 /nfs/dbraw/zinc/38/24/21/419382421.db2.gz ZZFFYDBOGIIXOU-UHFFFAOYSA-N 2 2 284.856 3.245 20 0 CGADLP C[N@@H+](CCSc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000662274975 419382424 /nfs/dbraw/zinc/38/24/24/419382424.db2.gz ZZFFYDBOGIIXOU-UHFFFAOYSA-N 2 2 284.856 3.245 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2cnccc2o1 ZINC000657899138 419422121 /nfs/dbraw/zinc/42/21/21/419422121.db2.gz AIFLEKITEZUDKE-CYBMUJFWSA-N 2 2 296.374 3.376 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCSCC3)[nH+]c12 ZINC000657900938 419422497 /nfs/dbraw/zinc/42/24/97/419422497.db2.gz UZXRDZIYOSWHGE-CQSZACIVSA-N 2 2 289.448 3.061 20 0 CGADLP C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897384 419424491 /nfs/dbraw/zinc/42/44/91/419424491.db2.gz SZUBFGQEJMBTIN-ZBFHGGJFSA-N 2 2 297.402 3.235 20 0 CGADLP C[C@@H]([NH2+]C1CC(CF)(CF)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000657980098 419472966 /nfs/dbraw/zinc/47/29/66/419472966.db2.gz UTWCTRGLUKHYPC-CJNGLKHVSA-N 2 2 296.405 3.355 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)n1 ZINC000658054697 419523230 /nfs/dbraw/zinc/52/32/30/419523230.db2.gz GAQDBQZSQOPIGJ-ZFWWWQNUSA-N 2 2 275.440 3.222 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)n1 ZINC000658054697 419523240 /nfs/dbraw/zinc/52/32/40/419523240.db2.gz GAQDBQZSQOPIGJ-ZFWWWQNUSA-N 2 2 275.440 3.222 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054654 419524632 /nfs/dbraw/zinc/52/46/32/419524632.db2.gz FWJMOSHHJYZAHF-UONOGXRCSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054654 419524639 /nfs/dbraw/zinc/52/46/39/419524639.db2.gz FWJMOSHHJYZAHF-UONOGXRCSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054657 419525742 /nfs/dbraw/zinc/52/57/42/419525742.db2.gz FWJMOSHHJYZAHF-ZIAGYGMSSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054657 419525750 /nfs/dbraw/zinc/52/57/50/419525750.db2.gz FWJMOSHHJYZAHF-ZIAGYGMSSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000658058838 419532151 /nfs/dbraw/zinc/53/21/51/419532151.db2.gz VAHLNZNBIZPVQS-GDBMZVCRSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000658058838 419532157 /nfs/dbraw/zinc/53/21/57/419532157.db2.gz VAHLNZNBIZPVQS-GDBMZVCRSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658058990 419532954 /nfs/dbraw/zinc/53/29/54/419532954.db2.gz GXIZPXMHNKJEQT-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658058990 419532957 /nfs/dbraw/zinc/53/29/57/419532957.db2.gz GXIZPXMHNKJEQT-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000663326808 419557944 /nfs/dbraw/zinc/55/79/44/419557944.db2.gz VPLNSABJSHRUNU-OAHLLOKOSA-N 2 2 269.392 3.180 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000663326808 419557951 /nfs/dbraw/zinc/55/79/51/419557951.db2.gz VPLNSABJSHRUNU-OAHLLOKOSA-N 2 2 269.392 3.180 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091882 419563451 /nfs/dbraw/zinc/56/34/51/419563451.db2.gz NPAXWRNZUWMDET-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091882 419563459 /nfs/dbraw/zinc/56/34/59/419563459.db2.gz NPAXWRNZUWMDET-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccncc2s1 ZINC000658019964 419496953 /nfs/dbraw/zinc/49/69/53/419496953.db2.gz PSLPFEPDMZNVLL-ZYHUDNBSSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccncc2s1 ZINC000658019964 419496959 /nfs/dbraw/zinc/49/69/59/419496959.db2.gz PSLPFEPDMZNVLL-ZYHUDNBSSA-N 2 2 298.415 3.228 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000658097148 419573993 /nfs/dbraw/zinc/57/39/93/419573993.db2.gz VFODSZRUUAHFRR-CJNGLKHVSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000658097148 419574002 /nfs/dbraw/zinc/57/40/02/419574002.db2.gz VFODSZRUUAHFRR-CJNGLKHVSA-N 2 2 288.435 3.232 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2cccc(F)c2[nH+]1 ZINC000663428306 419601582 /nfs/dbraw/zinc/60/15/82/419601582.db2.gz FYOJIKCEECVINB-GFCCVEGCSA-N 2 2 285.366 3.331 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2[nH+]1 ZINC000663428306 419601587 /nfs/dbraw/zinc/60/15/87/419601587.db2.gz FYOJIKCEECVINB-GFCCVEGCSA-N 2 2 285.366 3.331 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000663659767 419665452 /nfs/dbraw/zinc/66/54/52/419665452.db2.gz FNWRIGPHMFJQQC-PWSUYJOCSA-N 2 2 287.329 3.303 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000663659767 419665460 /nfs/dbraw/zinc/66/54/60/419665460.db2.gz FNWRIGPHMFJQQC-PWSUYJOCSA-N 2 2 287.329 3.303 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]CCCC3CCC3)CC2)ccn1 ZINC000658221369 419677292 /nfs/dbraw/zinc/67/72/92/419677292.db2.gz LMZTWAGVZYWUAG-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000658286764 419732202 /nfs/dbraw/zinc/73/22/02/419732202.db2.gz USHVJKFRKOVEFV-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000658286764 419732210 /nfs/dbraw/zinc/73/22/10/419732210.db2.gz USHVJKFRKOVEFV-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286180 419735371 /nfs/dbraw/zinc/73/53/71/419735371.db2.gz PVTPSRVQTFYCFG-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286180 419735381 /nfs/dbraw/zinc/73/53/81/419735381.db2.gz PVTPSRVQTFYCFG-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288614 419739866 /nfs/dbraw/zinc/73/98/66/419739866.db2.gz WOVZXQRCSSMMOS-DZGCQCFKSA-N 2 2 293.430 3.027 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288614 419739870 /nfs/dbraw/zinc/73/98/70/419739870.db2.gz WOVZXQRCSSMMOS-DZGCQCFKSA-N 2 2 293.430 3.027 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000020128827 262230721 /nfs/dbraw/zinc/23/07/21/262230721.db2.gz OYICSOKFZWHVFH-ZDUSSCGKSA-N 2 2 282.378 3.491 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1ccccc1 ZINC000037154013 270028932 /nfs/dbraw/zinc/02/89/32/270028932.db2.gz RNWVGSURSKDOKM-DLBZAZTESA-N 2 2 274.452 3.472 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325804 270029265 /nfs/dbraw/zinc/02/92/65/270029265.db2.gz UOTLROZMRDSRML-QGZVFWFLSA-N 2 2 260.425 3.429 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325804 270029266 /nfs/dbraw/zinc/02/92/66/270029266.db2.gz UOTLROZMRDSRML-QGZVFWFLSA-N 2 2 260.425 3.429 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000177086992 270053405 /nfs/dbraw/zinc/05/34/05/270053405.db2.gz GZCWQPDAQVYORW-CQSZACIVSA-N 2 2 259.353 3.130 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000177086992 270053406 /nfs/dbraw/zinc/05/34/06/270053406.db2.gz GZCWQPDAQVYORW-CQSZACIVSA-N 2 2 259.353 3.130 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000183923555 270056714 /nfs/dbraw/zinc/05/67/14/270056714.db2.gz QFKOZSWCTSUXSN-UHFFFAOYSA-N 2 2 295.386 3.492 20 0 CGADLP Cc1cncc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189892889 270072489 /nfs/dbraw/zinc/07/24/89/270072489.db2.gz SAZZGFTZQMSGDO-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CCCOc1cccc2c(NCCn3cc[nH+]c3)cc[nH+]c12 ZINC000194697267 270082700 /nfs/dbraw/zinc/08/27/00/270082700.db2.gz NJUDTOMYZOVYIF-UHFFFAOYSA-N 2 2 296.374 3.332 20 0 CGADLP COCC(C)(C)CCC[NH2+]CCCc1c[nH+]ccc1C ZINC000290490838 270091591 /nfs/dbraw/zinc/09/15/91/270091591.db2.gz OOTBSSCAZRZDJI-UHFFFAOYSA-N 2 2 278.440 3.365 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cn1 ZINC000519449046 270097605 /nfs/dbraw/zinc/09/76/05/270097605.db2.gz YXJDRFOYRXCBRV-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)cn1 ZINC000519449046 270097606 /nfs/dbraw/zinc/09/76/06/270097606.db2.gz YXJDRFOYRXCBRV-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)cn1 ZINC000519449046 270097607 /nfs/dbraw/zinc/09/76/07/270097607.db2.gz YXJDRFOYRXCBRV-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cn1 ZINC000519449046 270097608 /nfs/dbraw/zinc/09/76/08/270097608.db2.gz YXJDRFOYRXCBRV-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527636658 270130339 /nfs/dbraw/zinc/13/03/39/270130339.db2.gz PNOBRRGQQQRAMO-JVPBZIDWSA-N 2 2 295.430 3.456 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000527673124 270131266 /nfs/dbraw/zinc/13/12/66/270131266.db2.gz MSHQDHBWIOZFEY-QWHCGFSZSA-N 2 2 276.415 3.376 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000527673124 270131267 /nfs/dbraw/zinc/13/12/67/270131267.db2.gz MSHQDHBWIOZFEY-QWHCGFSZSA-N 2 2 276.415 3.376 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)nc1 ZINC000527737913 270133333 /nfs/dbraw/zinc/13/33/33/270133333.db2.gz WBZCVJLTDNCYJH-IXDOHACOSA-N 2 2 299.462 3.072 20 0 CGADLP C([NH2+]CC1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805154 270137405 /nfs/dbraw/zinc/13/74/05/270137405.db2.gz DDDZOYNJZGYCLZ-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+]CC1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805154 270137406 /nfs/dbraw/zinc/13/74/06/270137406.db2.gz DDDZOYNJZGYCLZ-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527868812 270141004 /nfs/dbraw/zinc/14/10/04/270141004.db2.gz LQUXYCOYOWEPHI-CWLKWCNXSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527868812 270141005 /nfs/dbraw/zinc/14/10/05/270141005.db2.gz LQUXYCOYOWEPHI-CWLKWCNXSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527846342 270139586 /nfs/dbraw/zinc/13/95/86/270139586.db2.gz KYUUFUSIUHRMFQ-WMLDXEAASA-N 2 2 281.403 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000527846414 270139594 /nfs/dbraw/zinc/13/95/94/270139594.db2.gz DXVKADOPYSBSDA-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@H+]1CCCC[C@H]1C ZINC000527846414 270139595 /nfs/dbraw/zinc/13/95/95/270139595.db2.gz DXVKADOPYSBSDA-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC12CC2 ZINC000527903667 270143237 /nfs/dbraw/zinc/14/32/37/270143237.db2.gz ZIQRPYJOLVANFE-CIRFHOKZSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC12CC2 ZINC000527903667 270143238 /nfs/dbraw/zinc/14/32/38/270143238.db2.gz ZIQRPYJOLVANFE-CIRFHOKZSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527923945 270144454 /nfs/dbraw/zinc/14/44/54/270144454.db2.gz CYFHPSMHXFQUKE-HZPDHXFCSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCC1 ZINC000527948410 270146636 /nfs/dbraw/zinc/14/66/36/270146636.db2.gz LFBFXAMUWNEOFU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCC1 ZINC000527948410 270146637 /nfs/dbraw/zinc/14/66/37/270146637.db2.gz LFBFXAMUWNEOFU-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991559 270149096 /nfs/dbraw/zinc/14/90/96/270149096.db2.gz VPEBGHUEEDWIIV-GOPGUHFVSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991559 270149097 /nfs/dbraw/zinc/14/90/97/270149097.db2.gz VPEBGHUEEDWIIV-GOPGUHFVSA-N 2 2 290.838 3.400 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527998442 270149912 /nfs/dbraw/zinc/14/99/12/270149912.db2.gz DDNYSTZIEXVZBN-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527998442 270149913 /nfs/dbraw/zinc/14/99/13/270149913.db2.gz DDNYSTZIEXVZBN-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015768 270151663 /nfs/dbraw/zinc/15/16/63/270151663.db2.gz YPCPDVYYFPICBZ-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015768 270151664 /nfs/dbraw/zinc/15/16/64/270151664.db2.gz YPCPDVYYFPICBZ-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000528422953 270165301 /nfs/dbraw/zinc/16/53/01/270165301.db2.gz GTLROPQNNACPCY-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000528422953 270165302 /nfs/dbraw/zinc/16/53/02/270165302.db2.gz GTLROPQNNACPCY-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530223530 270196513 /nfs/dbraw/zinc/19/65/13/270196513.db2.gz SQWSJXSWNDBRFE-CABCVRRESA-N 2 2 276.811 3.202 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224939 270196539 /nfs/dbraw/zinc/19/65/39/270196539.db2.gz WEEKYSUPSCGPRI-VNQPRFMTSA-N 2 2 270.420 3.418 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)c(Cl)c1 ZINC000530217182 270195957 /nfs/dbraw/zinc/19/59/57/270195957.db2.gz FONKAYLASVWZAV-YGRLFVJLSA-N 2 2 282.790 3.414 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219782 270196092 /nfs/dbraw/zinc/19/60/92/270196092.db2.gz MWXZLZVHHCSSEG-CSMYWGQOSA-N 2 2 288.410 3.323 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530217668 270196366 /nfs/dbraw/zinc/19/63/66/270196366.db2.gz VDXWXKODPOQBPY-GJZGRUSLSA-N 2 2 262.372 3.151 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C(C)C)c1 ZINC000530221429 270196582 /nfs/dbraw/zinc/19/65/82/270196582.db2.gz FIONNENSHJJCEY-KBAYOESNSA-N 2 2 290.451 3.049 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530244771 270197201 /nfs/dbraw/zinc/19/72/01/270197201.db2.gz NQUULZPXJKOTPW-OAHLLOKOSA-N 2 2 278.827 3.277 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531684846 270208470 /nfs/dbraw/zinc/20/84/70/270208470.db2.gz URDCCVGKJNAZFH-CABCVRRESA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000531937939 270210818 /nfs/dbraw/zinc/21/08/18/270210818.db2.gz XGECAXCFJSPQLK-INIZCTEOSA-N 2 2 296.524 3.372 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531957524 270211556 /nfs/dbraw/zinc/21/15/56/270211556.db2.gz RZMLLBCZODRUPI-DYVFJYSZSA-N 2 2 287.382 3.326 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000531966811 270211577 /nfs/dbraw/zinc/21/15/77/270211577.db2.gz FDNFTUJRKNFJGR-HYVNUMGLSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000531966811 270211578 /nfs/dbraw/zinc/21/15/78/270211578.db2.gz FDNFTUJRKNFJGR-HYVNUMGLSA-N 2 2 260.425 3.232 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccoc1 ZINC000531967435 270211685 /nfs/dbraw/zinc/21/16/85/270211685.db2.gz LDQUIRFHFODXRT-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531969602 270211959 /nfs/dbraw/zinc/21/19/59/270211959.db2.gz HUAAMZFARFLTMH-GUTXKFCHSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531969602 270211960 /nfs/dbraw/zinc/21/19/60/270211960.db2.gz HUAAMZFARFLTMH-GUTXKFCHSA-N 2 2 252.446 3.274 20 0 CGADLP CCC(CC)(C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000531984668 270212213 /nfs/dbraw/zinc/21/22/13/270212213.db2.gz NFSWTPOTLWYIKX-DOTOQJQBSA-N 2 2 274.452 3.284 20 0 CGADLP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000531984668 270212214 /nfs/dbraw/zinc/21/22/14/270212214.db2.gz NFSWTPOTLWYIKX-DOTOQJQBSA-N 2 2 274.452 3.284 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423314252 273615558 /nfs/dbraw/zinc/61/55/58/273615558.db2.gz VTISEQYELBVIAF-CYBMUJFWSA-N 2 2 284.856 3.466 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536341 274366084 /nfs/dbraw/zinc/36/60/84/274366084.db2.gz IMLOYAIKYNFWDO-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536341 274366088 /nfs/dbraw/zinc/36/60/88/274366088.db2.gz IMLOYAIKYNFWDO-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c1 ZINC000313249816 274899001 /nfs/dbraw/zinc/89/90/01/274899001.db2.gz FJUSADHHULXPMX-QGZVFWFLSA-N 2 2 294.402 3.111 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000415046745 275879565 /nfs/dbraw/zinc/87/95/65/275879565.db2.gz VINLPCXTWHHTOS-GFCCVEGCSA-N 2 2 290.304 3.075 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100860 276042533 /nfs/dbraw/zinc/04/25/33/276042533.db2.gz IPPKNMOHYMKSLM-CVEARBPZSA-N 2 2 283.419 3.268 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100860 276042534 /nfs/dbraw/zinc/04/25/34/276042534.db2.gz IPPKNMOHYMKSLM-CVEARBPZSA-N 2 2 283.419 3.268 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135949 276074756 /nfs/dbraw/zinc/07/47/56/276074756.db2.gz OCXYJJKXXMOFFB-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135949 276074758 /nfs/dbraw/zinc/07/47/58/276074758.db2.gz OCXYJJKXXMOFFB-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135949 276074760 /nfs/dbraw/zinc/07/47/60/276074760.db2.gz OCXYJJKXXMOFFB-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135949 276074761 /nfs/dbraw/zinc/07/47/61/276074761.db2.gz OCXYJJKXXMOFFB-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000348391048 276105785 /nfs/dbraw/zinc/10/57/85/276105785.db2.gz QSFDSZHHNGNXOF-DZGCQCFKSA-N 2 2 281.469 3.133 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000127335665 276130670 /nfs/dbraw/zinc/13/06/70/276130670.db2.gz OEURSFPVHYAALP-UHFFFAOYSA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000127335665 276130671 /nfs/dbraw/zinc/13/06/71/276130671.db2.gz OEURSFPVHYAALP-UHFFFAOYSA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@H+](CC[NH2+]C/C(C)=C/c1ccccc1)C1CC1 ZINC000102426670 276130798 /nfs/dbraw/zinc/13/07/98/276130798.db2.gz XMWXBPISMSPUHL-FYWRMAATSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@@H+](CC[NH2+]C/C(C)=C/c1ccccc1)C1CC1 ZINC000102426670 276130799 /nfs/dbraw/zinc/13/07/99/276130799.db2.gz XMWXBPISMSPUHL-FYWRMAATSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158847 276243078 /nfs/dbraw/zinc/24/30/78/276243078.db2.gz JFRIHLBEIRZQII-WBVHZDCISA-N 2 2 272.436 3.038 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158847 276243080 /nfs/dbraw/zinc/24/30/80/276243080.db2.gz JFRIHLBEIRZQII-WBVHZDCISA-N 2 2 272.436 3.038 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000479859860 276436931 /nfs/dbraw/zinc/43/69/31/276436931.db2.gz DBEVBSPALHVJCZ-DLBZAZTESA-N 2 2 262.441 3.184 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@@H]1CC1(C)C ZINC000414092197 276585501 /nfs/dbraw/zinc/58/55/01/276585501.db2.gz FEBZUBUGBJNRKD-KKUMJFAQSA-N 2 2 275.440 3.483 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000334997165 277263277 /nfs/dbraw/zinc/26/32/77/277263277.db2.gz AHGRWWFBEVAROT-HNNXBMFYSA-N 2 2 264.800 3.011 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1nccs1 ZINC000397464745 288023738 /nfs/dbraw/zinc/02/37/38/288023738.db2.gz GGZRTMWSJJZSLC-CYBMUJFWSA-N 2 2 261.394 3.130 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)n1-c1ccccc1 ZINC000397680424 288026988 /nfs/dbraw/zinc/02/69/88/288026988.db2.gz SXHQSDMBTNPWPG-QDMKHBRRSA-N 2 2 267.376 3.069 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000397770991 288030101 /nfs/dbraw/zinc/03/01/01/288030101.db2.gz LTIITTNBMUXUDB-AWEZNQCLSA-N 2 2 266.816 3.475 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397788718 288030617 /nfs/dbraw/zinc/03/06/17/288030617.db2.gz REKUTTYFSHOMFL-LBPRGKRZSA-N 2 2 264.438 3.153 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000420364903 278308948 /nfs/dbraw/zinc/30/89/48/278308948.db2.gz RLXVECXCHXNXAM-LLVKDONJSA-N 2 2 286.341 3.232 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000397867996 288033105 /nfs/dbraw/zinc/03/31/05/288033105.db2.gz IFJGVNAAKBGKDI-SJORKVTESA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)OCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398014487 288037720 /nfs/dbraw/zinc/03/77/20/288037720.db2.gz FQBDDADHUUQPIK-SFHVURJKSA-N 2 2 292.467 3.158 20 0 CGADLP CC(C)OCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398014487 288037722 /nfs/dbraw/zinc/03/77/22/288037722.db2.gz FQBDDADHUUQPIK-SFHVURJKSA-N 2 2 292.467 3.158 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Cl ZINC000334184959 278387861 /nfs/dbraw/zinc/38/78/61/278387861.db2.gz DLDXYBZDYDDFAV-MNOVXSKESA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000334184959 278387862 /nfs/dbraw/zinc/38/78/62/278387862.db2.gz DLDXYBZDYDDFAV-MNOVXSKESA-N 2 2 275.783 3.271 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCCCC1 ZINC000367064074 278621115 /nfs/dbraw/zinc/62/11/15/278621115.db2.gz BFHHXBRVAVOXMY-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423054328 288062847 /nfs/dbraw/zinc/06/28/47/288062847.db2.gz UKVXBLFUSXXKOL-BLLLJJGKSA-N 2 2 272.392 3.361 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423233723 278691983 /nfs/dbraw/zinc/69/19/83/278691983.db2.gz KLFMOTNWBXAPGK-WFASDCNBSA-N 2 2 294.826 3.204 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423264635 288084756 /nfs/dbraw/zinc/08/47/56/288084756.db2.gz AMLTVZSJRYASSC-UONOGXRCSA-N 2 2 282.815 3.127 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000459406942 288090219 /nfs/dbraw/zinc/09/02/19/288090219.db2.gz KUKUFEGRXSZKCD-FVNWOWOISA-N 2 2 281.403 3.140 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000459406942 288090221 /nfs/dbraw/zinc/09/02/21/288090221.db2.gz KUKUFEGRXSZKCD-FVNWOWOISA-N 2 2 281.403 3.140 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1OC(F)F ZINC000358400026 288091554 /nfs/dbraw/zinc/09/15/54/288091554.db2.gz KKDUFDOHWHDCSY-UBHSHLNASA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1OC(F)F ZINC000358400026 288091556 /nfs/dbraw/zinc/09/15/56/288091556.db2.gz KKDUFDOHWHDCSY-UBHSHLNASA-N 2 2 298.377 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000156574055 279314327 /nfs/dbraw/zinc/31/43/27/279314327.db2.gz CJOLCSBHQSKKEO-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000156574055 279314330 /nfs/dbraw/zinc/31/43/30/279314330.db2.gz CJOLCSBHQSKKEO-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414061661 279314994 /nfs/dbraw/zinc/31/49/94/279314994.db2.gz KRKALTUDIHHWIS-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414061661 279314996 /nfs/dbraw/zinc/31/49/96/279314996.db2.gz KRKALTUDIHHWIS-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000521847387 288140429 /nfs/dbraw/zinc/14/04/29/288140429.db2.gz XZAGJJKXIXILCO-QZTJIDSGSA-N 2 2 272.436 3.248 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)CO2 ZINC000526982359 288155161 /nfs/dbraw/zinc/15/51/61/288155161.db2.gz WQNUYFPRQNLNGO-QGZVFWFLSA-N 2 2 282.387 3.354 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000151112662 279767852 /nfs/dbraw/zinc/76/78/52/279767852.db2.gz IMQCXFHTUOMDTG-GUYCJALGSA-N 2 2 287.382 3.326 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633200 288178753 /nfs/dbraw/zinc/17/87/53/288178753.db2.gz TXAFWTSJFWORDA-OAOYMFHYSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633200 288178755 /nfs/dbraw/zinc/17/87/55/288178755.db2.gz TXAFWTSJFWORDA-OAOYMFHYSA-N 2 2 284.447 3.285 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527723595 288192735 /nfs/dbraw/zinc/19/27/35/288192735.db2.gz ARYMEURRAATEFB-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527723595 288192736 /nfs/dbraw/zinc/19/27/36/288192736.db2.gz ARYMEURRAATEFB-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000445878115 280229307 /nfs/dbraw/zinc/22/93/07/280229307.db2.gz FCMHQROMCBBISW-ZDUSSCGKSA-N 2 2 280.378 3.285 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1cccnc1 ZINC000447590140 280326063 /nfs/dbraw/zinc/32/60/63/280326063.db2.gz AHHQFSVFIFCLAU-ROUUACIJSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1cccnc1 ZINC000447590140 280326066 /nfs/dbraw/zinc/32/60/66/280326066.db2.gz AHHQFSVFIFCLAU-ROUUACIJSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000451062272 281220448 /nfs/dbraw/zinc/22/04/48/281220448.db2.gz MVPLXKLKKVPGDH-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000451062272 281220452 /nfs/dbraw/zinc/22/04/52/281220452.db2.gz MVPLXKLKKVPGDH-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000451062272 281220454 /nfs/dbraw/zinc/22/04/54/281220454.db2.gz MVPLXKLKKVPGDH-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000451062272 281220455 /nfs/dbraw/zinc/22/04/55/281220455.db2.gz MVPLXKLKKVPGDH-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000127803365 281245954 /nfs/dbraw/zinc/24/59/54/281245954.db2.gz TZWGIBHHUXIQFT-OAHLLOKOSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@H+](CCCn1cc[nH+]c1)C2 ZINC000451257873 281268507 /nfs/dbraw/zinc/26/85/07/281268507.db2.gz DUPFCRNMIDQNLT-UHFFFAOYSA-N 2 2 283.419 3.419 20 0 CGADLP Cc1cccc2c1CC(C)(C)[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000451257873 281268511 /nfs/dbraw/zinc/26/85/11/281268511.db2.gz DUPFCRNMIDQNLT-UHFFFAOYSA-N 2 2 283.419 3.419 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349250662 281305648 /nfs/dbraw/zinc/30/56/48/281305648.db2.gz ZPSUNPMQBYFOOF-CKEIUWERSA-N 2 2 270.420 3.370 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000349250662 281305651 /nfs/dbraw/zinc/30/56/51/281305651.db2.gz ZPSUNPMQBYFOOF-CKEIUWERSA-N 2 2 270.420 3.370 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)cccc1C)CCC2 ZINC000358517126 281547738 /nfs/dbraw/zinc/54/77/38/281547738.db2.gz OYTVTZAKFVGNTD-MRXNPFEDSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[C@]31C)CCC2 ZINC000337386058 281552127 /nfs/dbraw/zinc/55/21/27/281552127.db2.gz LGMVXLZDGJWVPF-LJIGWXMPSA-N 2 2 273.424 3.237 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000532455285 288361884 /nfs/dbraw/zinc/36/18/84/288361884.db2.gz VOTONKCWSIDDAE-GVDBMIGSSA-N 2 2 282.472 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000532541048 288366242 /nfs/dbraw/zinc/36/62/42/288366242.db2.gz FEHCXLNLCZNNBF-IBLZFVKESA-N 2 2 288.410 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000532541048 288366245 /nfs/dbraw/zinc/36/62/45/288366245.db2.gz FEHCXLNLCZNNBF-IBLZFVKESA-N 2 2 288.410 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccncc1 ZINC000186329399 289991358 /nfs/dbraw/zinc/99/13/58/289991358.db2.gz FNNSULSJBRZRJG-MPGHIAIKSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884898 289027773 /nfs/dbraw/zinc/02/77/73/289027773.db2.gz CZVXPNJLESETOP-NPJQDHAYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884898 289027774 /nfs/dbraw/zinc/02/77/74/289027774.db2.gz CZVXPNJLESETOP-NPJQDHAYSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cscn1 ZINC000551914183 289139098 /nfs/dbraw/zinc/13/90/98/289139098.db2.gz DNOMWEMSNULTQU-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312414 289268148 /nfs/dbraw/zinc/26/81/48/289268148.db2.gz UOOLGOPABRAMNH-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312414 289268146 /nfs/dbraw/zinc/26/81/46/289268146.db2.gz UOOLGOPABRAMNH-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)C(C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000556406827 289389793 /nfs/dbraw/zinc/38/97/93/289389793.db2.gz UAHUGGMWYUFEME-HZPDHXFCSA-N 2 2 284.488 3.004 20 0 CGADLP CCC[C@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000560069813 289569595 /nfs/dbraw/zinc/56/95/95/289569595.db2.gz GNCLLLBOQQRBTB-YOEHRIQHSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414095284 289939994 /nfs/dbraw/zinc/93/99/94/289939994.db2.gz HHIOEIGTPONADM-LLDVTBCESA-N 2 2 287.451 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295860005 290019893 /nfs/dbraw/zinc/01/98/93/290019893.db2.gz BLMWVRMGOJGYGV-XJKSGUPXSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251792776 290212806 /nfs/dbraw/zinc/21/28/06/290212806.db2.gz WIFSAGJLAPTLGQ-QJPTWQEYSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251792776 290212810 /nfs/dbraw/zinc/21/28/10/290212810.db2.gz WIFSAGJLAPTLGQ-QJPTWQEYSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261572105 290228964 /nfs/dbraw/zinc/22/89/64/290228964.db2.gz ABTJGBWKUFOXIA-RTXFEEFZSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261572105 290228968 /nfs/dbraw/zinc/22/89/68/290228968.db2.gz ABTJGBWKUFOXIA-RTXFEEFZSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128101497 290265287 /nfs/dbraw/zinc/26/52/87/290265287.db2.gz HHDFNLGWNFZHNM-CYBMUJFWSA-N 2 2 276.399 3.351 20 0 CGADLP COc1ccc([C@H](C)[N@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000414681567 295235141 /nfs/dbraw/zinc/23/51/41/295235141.db2.gz PKJUNWDFLWHFLC-ZDUSSCGKSA-N 2 2 264.413 3.076 20 0 CGADLP COc1ccc([C@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000414681567 295235142 /nfs/dbraw/zinc/23/51/42/295235142.db2.gz PKJUNWDFLWHFLC-ZDUSSCGKSA-N 2 2 264.413 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+]C2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422736368 295244492 /nfs/dbraw/zinc/24/44/92/295244492.db2.gz XXCMRANOGBPPLQ-IRXDYDNUSA-N 2 2 274.408 3.021 20 0 CGADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000387771310 327811131 /nfs/dbraw/zinc/81/11/31/327811131.db2.gz ZGZXIFFJYJCZSN-GOSISDBHSA-N 2 2 299.418 3.413 20 0 CGADLP COc1cccc([C@@H](C[NH2+][C@H](C)C(C)C)[NH+]2CCCC2)c1 ZINC000154838261 321751718 /nfs/dbraw/zinc/75/17/18/321751718.db2.gz UNGZVQCZLRTDDZ-CRAIPNDOSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000158601372 321818740 /nfs/dbraw/zinc/81/87/40/321818740.db2.gz OELRUVNWVWISBH-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000563669836 322005898 /nfs/dbraw/zinc/00/58/98/322005898.db2.gz GXRDMJKMEHEODX-OWSLCNJRSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000563669836 322005900 /nfs/dbraw/zinc/00/59/00/322005900.db2.gz GXRDMJKMEHEODX-OWSLCNJRSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)n1C ZINC000566864645 322141152 /nfs/dbraw/zinc/14/11/52/322141152.db2.gz KXMOJKSYZRKVEC-LBPRGKRZSA-N 2 2 271.355 3.034 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccoc1 ZINC000567344214 322159928 /nfs/dbraw/zinc/15/99/28/322159928.db2.gz DWDMIPCIKRFQIF-LRDDRELGSA-N 2 2 258.365 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000567375297 322161077 /nfs/dbraw/zinc/16/10/77/322161077.db2.gz NYLHKZXQEOJCNP-BDJLRTHQSA-N 2 2 290.407 3.174 20 0 CGADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCCC[NH2+]1 ZINC000567641344 322171903 /nfs/dbraw/zinc/17/19/03/322171903.db2.gz YZRGLGRTWLERQH-DOMZBBRYSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+](C)C ZINC000568077914 322192785 /nfs/dbraw/zinc/19/27/85/322192785.db2.gz WTJNMKLIXVMNHW-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP c1ccc(OC2CCCC2)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000568236706 322199343 /nfs/dbraw/zinc/19/93/43/322199343.db2.gz SFBZFZBGAWQUMS-UHFFFAOYSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)n1C ZINC000568269303 322201999 /nfs/dbraw/zinc/20/19/99/322201999.db2.gz HEJUNKUDXVUQMS-JTQLQIEISA-N 2 2 292.452 3.333 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000568575436 322213880 /nfs/dbraw/zinc/21/38/80/322213880.db2.gz XTEOLDACJVANDQ-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000568575436 322213881 /nfs/dbraw/zinc/21/38/81/322213881.db2.gz XTEOLDACJVANDQ-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799887 322223130 /nfs/dbraw/zinc/22/31/30/322223130.db2.gz GJMONIKKPCCDPE-RHSMWYFYSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799887 322223131 /nfs/dbraw/zinc/22/31/31/322223131.db2.gz GJMONIKKPCCDPE-RHSMWYFYSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799887 322223134 /nfs/dbraw/zinc/22/31/34/322223134.db2.gz GJMONIKKPCCDPE-RHSMWYFYSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799887 322223136 /nfs/dbraw/zinc/22/31/36/322223136.db2.gz GJMONIKKPCCDPE-RHSMWYFYSA-N 2 2 299.418 3.114 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000569335984 322244061 /nfs/dbraw/zinc/24/40/61/322244061.db2.gz KVHDOTORABFTSJ-SPYBWZPUSA-N 2 2 296.414 3.475 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CO2 ZINC000569350033 322244467 /nfs/dbraw/zinc/24/44/67/322244467.db2.gz ONYZFPLJOUIVRU-IXDOHACOSA-N 2 2 280.371 3.163 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000570912760 322285236 /nfs/dbraw/zinc/28/52/36/322285236.db2.gz XBDNOCIORXSBPX-CABCVRRESA-N 2 2 286.419 3.295 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000570912760 322285237 /nfs/dbraw/zinc/28/52/37/322285237.db2.gz XBDNOCIORXSBPX-CABCVRRESA-N 2 2 286.419 3.295 20 0 CGADLP CO[C@]1(C)C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721271 322306186 /nfs/dbraw/zinc/30/61/86/322306186.db2.gz GMCYINBGKVPKMI-FUHWJXTLSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@]1(C)C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721271 322306188 /nfs/dbraw/zinc/30/61/88/322306188.db2.gz GMCYINBGKVPKMI-FUHWJXTLSA-N 2 2 290.451 3.458 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)n1C ZINC000573506452 322391545 /nfs/dbraw/zinc/39/15/45/322391545.db2.gz MLTSQHYIEIDOHA-UHFFFAOYSA-N 2 2 291.345 3.176 20 0 CGADLP Cc1cccc(CCn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)[nH+]1 ZINC000399709776 326809566 /nfs/dbraw/zinc/80/95/66/326809566.db2.gz CUHISYIPIASGOU-CHWSQXEVSA-N 2 2 269.392 3.200 20 0 CGADLP Cc1ccc(C)c([C@@H]([NH2+][C@@H](C)C[NH3+])c2ccccc2)c1 ZINC000423372043 533711341 /nfs/dbraw/zinc/71/13/41/533711341.db2.gz QWJKOFDZYKZTER-YJBOKZPZSA-N 2 2 268.404 3.330 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCc2cccc(Cl)c2)n1C ZINC000576173531 335165190 /nfs/dbraw/zinc/16/51/90/335165190.db2.gz TXQOFOUFTBUJQE-UHFFFAOYSA-N 2 2 277.799 3.104 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346240 335192435 /nfs/dbraw/zinc/19/24/35/335192435.db2.gz HTIFTMPICNJOIY-MPXGXIRNSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346240 335192436 /nfs/dbraw/zinc/19/24/36/335192436.db2.gz HTIFTMPICNJOIY-MPXGXIRNSA-N 2 2 292.373 3.054 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000576435340 335202922 /nfs/dbraw/zinc/20/29/22/335202922.db2.gz OTFSLMVHPKACLM-HNNXBMFYSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000576435340 335202924 /nfs/dbraw/zinc/20/29/24/335202924.db2.gz OTFSLMVHPKACLM-HNNXBMFYSA-N 2 2 264.457 3.421 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949523 335268522 /nfs/dbraw/zinc/26/85/22/335268522.db2.gz IDWUNZNMRINCIH-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949523 335268524 /nfs/dbraw/zinc/26/85/24/335268524.db2.gz IDWUNZNMRINCIH-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949523 335268525 /nfs/dbraw/zinc/26/85/25/335268525.db2.gz IDWUNZNMRINCIH-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949523 335268527 /nfs/dbraw/zinc/26/85/27/335268527.db2.gz IDWUNZNMRINCIH-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000177196691 335368201 /nfs/dbraw/zinc/36/82/01/335368201.db2.gz CZBPLVLBOOZUDN-CQSZACIVSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000177196691 335368202 /nfs/dbraw/zinc/36/82/02/335368202.db2.gz CZBPLVLBOOZUDN-CQSZACIVSA-N 2 2 272.436 3.211 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2OC2CCCC2)n1C ZINC000580785235 335967031 /nfs/dbraw/zinc/96/70/31/335967031.db2.gz SDIMUPMQIJFKRN-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000195685848 336058250 /nfs/dbraw/zinc/05/82/50/336058250.db2.gz ICVUNXGLGBFGRC-BPQIPLTHSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000581381076 336065846 /nfs/dbraw/zinc/06/58/46/336065846.db2.gz PCMNUSPRGFLRMH-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000581381076 336065848 /nfs/dbraw/zinc/06/58/48/336065848.db2.gz PCMNUSPRGFLRMH-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000581381078 336065853 /nfs/dbraw/zinc/06/58/53/336065853.db2.gz PCMNUSPRGFLRMH-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000581381078 336065855 /nfs/dbraw/zinc/06/58/55/336065855.db2.gz PCMNUSPRGFLRMH-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1C)C1CC1)C1CC1 ZINC000581444157 336079056 /nfs/dbraw/zinc/07/90/56/336079056.db2.gz IFURDNGDUROQMT-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1C)C1CC1)C1CC1 ZINC000581444157 336079058 /nfs/dbraw/zinc/07/90/58/336079058.db2.gz IFURDNGDUROQMT-LJQANCHMSA-N 2 2 286.463 3.390 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581659001 336119295 /nfs/dbraw/zinc/11/92/95/336119295.db2.gz WNBWWTAJWPNNMS-KZNAEPCWSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581659001 336119296 /nfs/dbraw/zinc/11/92/96/336119296.db2.gz WNBWWTAJWPNNMS-KZNAEPCWSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000385960543 336163254 /nfs/dbraw/zinc/16/32/54/336163254.db2.gz NWUKTEJHCHRTML-XHHISWJOSA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000385960543 336163255 /nfs/dbraw/zinc/16/32/55/336163255.db2.gz NWUKTEJHCHRTML-XHHISWJOSA-N 2 2 272.436 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385950767 336163297 /nfs/dbraw/zinc/16/32/97/336163297.db2.gz CRKHRPWKYZVRHO-QEJZJMRPSA-N 2 2 276.449 3.344 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000386100688 336166369 /nfs/dbraw/zinc/16/63/69/336166369.db2.gz JRBVVWIASITRMW-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000386182649 336167428 /nfs/dbraw/zinc/16/74/28/336167428.db2.gz YJBCJPDOQHWHKL-FZMZJTMJSA-N 2 2 286.341 3.326 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449139414 533783934 /nfs/dbraw/zinc/78/39/34/533783934.db2.gz KZBBAUDZVBRCGY-OFQRWUPVSA-N 2 2 292.492 3.457 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423359452 533992018 /nfs/dbraw/zinc/99/20/18/533992018.db2.gz KMSJTMJXLGALTQ-YZVOILCLSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423265969 533994827 /nfs/dbraw/zinc/99/48/27/533994827.db2.gz BMJRBLDCTCUDPB-SCLBCKFNSA-N 2 2 297.402 3.262 20 0 CGADLP Cc1cc2[nH]c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc2c(C)c1 ZINC000359077374 534057652 /nfs/dbraw/zinc/05/76/52/534057652.db2.gz CXAORFHPGIZBOA-CQSZACIVSA-N 2 2 296.418 3.407 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000193122358 534145221 /nfs/dbraw/zinc/14/52/21/534145221.db2.gz GSPDNTIYZWLAKZ-HIFRSBDPSA-N 2 2 271.408 3.291 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000356108005 534207272 /nfs/dbraw/zinc/20/72/72/534207272.db2.gz ICGHGBPJPZMJNV-ZDUSSCGKSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000356108005 534207274 /nfs/dbraw/zinc/20/72/74/534207274.db2.gz ICGHGBPJPZMJNV-ZDUSSCGKSA-N 2 2 296.505 3.388 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000449125212 534258609 /nfs/dbraw/zinc/25/86/09/534258609.db2.gz QZGXQTQKMAZHTL-AWEZNQCLSA-N 2 2 273.380 3.088 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000449252694 534259329 /nfs/dbraw/zinc/25/93/29/534259329.db2.gz RJSLCKZNRNXIND-WMLDXEAASA-N 2 2 272.392 3.103 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000449071177 534259846 /nfs/dbraw/zinc/25/98/46/534259846.db2.gz APMOCCLPMKHBOE-HNNXBMFYSA-N 2 2 295.386 3.245 20 0 CGADLP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000155498074 518653708 /nfs/dbraw/zinc/65/37/08/518653708.db2.gz HATVICBSVMQGMP-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]cc2Cl)C[C@@H](C)O1 ZINC000175020809 534437201 /nfs/dbraw/zinc/43/72/01/534437201.db2.gz MRZPGEHGSCSQNW-VXGBXAGGSA-N 2 2 297.830 3.035 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000184536734 519794050 /nfs/dbraw/zinc/79/40/50/519794050.db2.gz WOFGSJBQGXVGRY-LJQANCHMSA-N 2 2 297.446 3.328 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000184536734 519794051 /nfs/dbraw/zinc/79/40/51/519794051.db2.gz WOFGSJBQGXVGRY-LJQANCHMSA-N 2 2 297.446 3.328 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423239079 534532711 /nfs/dbraw/zinc/53/27/11/534532711.db2.gz RUBKGYHIKBDLPC-PBHICJAKSA-N 2 2 276.399 3.399 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155678487 521782257 /nfs/dbraw/zinc/78/22/57/521782257.db2.gz CYUCYJKBWPEODH-CYBMUJFWSA-N 2 2 275.421 3.346 20 0 CGADLP CCc1ccccc1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000277741864 521823097 /nfs/dbraw/zinc/82/30/97/521823097.db2.gz OWSPIEWZFPEKEN-UHFFFAOYSA-N 2 2 283.419 3.325 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000049568523 521952321 /nfs/dbraw/zinc/95/23/21/521952321.db2.gz SEIYYTTYHPIEEI-NSHDSACASA-N 2 2 297.240 3.194 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCCOc2ccccc21)[NH+]1CCCC1 ZINC000151697783 522201388 /nfs/dbraw/zinc/20/13/88/522201388.db2.gz NIFILXOGTHFMFK-WBVHZDCISA-N 2 2 288.435 3.364 20 0 CGADLP COC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000151707410 522377861 /nfs/dbraw/zinc/37/78/61/522377861.db2.gz BQKRVFICRRUVTR-RHSMWYFYSA-N 2 2 287.407 3.194 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000156556058 522853015 /nfs/dbraw/zinc/85/30/15/522853015.db2.gz REKWESCHEREUEK-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(OC)c1 ZINC000156556058 522853024 /nfs/dbraw/zinc/85/30/24/522853024.db2.gz REKWESCHEREUEK-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449063899 534690961 /nfs/dbraw/zinc/69/09/61/534690961.db2.gz RSVMAVHOGCEAJR-ZDUSSCGKSA-N 2 2 283.375 3.159 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000449018630 534691954 /nfs/dbraw/zinc/69/19/54/534691954.db2.gz OHUDIWPVLHDPSK-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1cccc(CC[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000449018630 534691958 /nfs/dbraw/zinc/69/19/58/534691958.db2.gz OHUDIWPVLHDPSK-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000155588232 524207667 /nfs/dbraw/zinc/20/76/67/524207667.db2.gz PNELYEIZWVAAQQ-YJBOKZPZSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129698761 524295781 /nfs/dbraw/zinc/29/57/81/524295781.db2.gz HKCZWVHRBAMDFV-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129698761 524295790 /nfs/dbraw/zinc/29/57/90/524295790.db2.gz HKCZWVHRBAMDFV-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1 ZINC000184294083 526212634 /nfs/dbraw/zinc/21/26/34/526212634.db2.gz JKFIWFQXGDITSZ-MRXNPFEDSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1 ZINC000184294083 526212642 /nfs/dbraw/zinc/21/26/42/526212642.db2.gz JKFIWFQXGDITSZ-MRXNPFEDSA-N 2 2 283.419 3.173 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCCCS3)cc2)c[nH+]1 ZINC000156371245 526524387 /nfs/dbraw/zinc/52/43/87/526524387.db2.gz KREMGLAXGXHJJW-INIZCTEOSA-N 2 2 287.432 3.248 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1C ZINC000086671796 527169939 /nfs/dbraw/zinc/16/99/39/527169939.db2.gz NPTRBWHHFRMUOH-TZMCWYRMSA-N 2 2 257.381 3.123 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000157450440 527376465 /nfs/dbraw/zinc/37/64/65/527376465.db2.gz YKLDGUHJHGPHCQ-HZPDHXFCSA-N 2 2 274.314 3.199 20 0 CGADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000436269865 527766784 /nfs/dbraw/zinc/76/67/84/527766784.db2.gz LBCSECFLIZGNTK-IAGOWNOFSA-N 2 2 293.455 3.237 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449336473 527827724 /nfs/dbraw/zinc/82/77/24/527827724.db2.gz NREJXZMZWYKPMJ-KFWWJZLASA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449336473 527827732 /nfs/dbraw/zinc/82/77/32/527827732.db2.gz NREJXZMZWYKPMJ-KFWWJZLASA-N 2 2 275.440 3.462 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028346 527836496 /nfs/dbraw/zinc/83/64/96/527836496.db2.gz LMAITTBQGDRAOP-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028346 527836499 /nfs/dbraw/zinc/83/64/99/527836499.db2.gz LMAITTBQGDRAOP-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028346 527836505 /nfs/dbraw/zinc/83/65/05/527836505.db2.gz LMAITTBQGDRAOP-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028346 527836511 /nfs/dbraw/zinc/83/65/11/527836511.db2.gz LMAITTBQGDRAOP-RDJZCZTQSA-N 2 2 290.451 3.308 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000427878240 527876744 /nfs/dbraw/zinc/87/67/44/527876744.db2.gz QFYPZLQNPAFETF-IXDOHACOSA-N 2 2 295.430 3.370 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000414340802 528162585 /nfs/dbraw/zinc/16/25/85/528162585.db2.gz KYAJSYDILLIYHU-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000414340802 528162588 /nfs/dbraw/zinc/16/25/88/528162588.db2.gz KYAJSYDILLIYHU-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449257862 528184912 /nfs/dbraw/zinc/18/49/12/528184912.db2.gz KRIKATJBEVOVJY-INIZCTEOSA-N 2 2 299.418 3.023 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000359709855 528204385 /nfs/dbraw/zinc/20/43/85/528204385.db2.gz BYKRFBYOUOVBAR-LBPRGKRZSA-N 2 2 281.831 3.260 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423555107 528205460 /nfs/dbraw/zinc/20/54/60/528205460.db2.gz LSTZVJZJYVJLDG-GDBMZVCRSA-N 2 2 276.424 3.267 20 0 CGADLP CCCCCOc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423223268 528238066 /nfs/dbraw/zinc/23/80/66/528238066.db2.gz FRHIQUJJNGPIMA-AWEZNQCLSA-N 2 2 264.413 3.126 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423271526 528311149 /nfs/dbraw/zinc/31/11/49/528311149.db2.gz XWYSQAQDACUHNZ-RYUDHWBXSA-N 2 2 286.366 3.312 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423374088 528422486 /nfs/dbraw/zinc/42/24/86/528422486.db2.gz HQMISEWIYYNHCX-RKDXNWHRSA-N 2 2 291.258 3.159 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423471569 528475362 /nfs/dbraw/zinc/47/53/62/528475362.db2.gz PSBOJTABPLVLIA-JQWIXIFHSA-N 2 2 270.804 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423306916 528514589 /nfs/dbraw/zinc/51/45/89/528514589.db2.gz FRDWBJBLMBORQN-CMPLNLGQSA-N 2 2 270.467 3.263 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[NH+](C)C ZINC000364648989 528530762 /nfs/dbraw/zinc/53/07/62/528530762.db2.gz FALMJLXFAQXWQF-ZJPYXAASSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000423236851 528571265 /nfs/dbraw/zinc/57/12/65/528571265.db2.gz OUJZYYDAGABHIH-STQMWFEESA-N 2 2 252.427 3.177 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(F)ccc1F ZINC000414120233 528586967 /nfs/dbraw/zinc/58/69/67/528586967.db2.gz BHKPXYCUBUTCOO-MRXNPFEDSA-N 2 2 293.361 3.228 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000424163657 528629561 /nfs/dbraw/zinc/62/95/61/528629561.db2.gz XUQMMEKKJBBCFF-UHFFFAOYSA-N 2 2 299.422 3.461 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000423385934 528720966 /nfs/dbraw/zinc/72/09/66/528720966.db2.gz RLINPMNDRDRJQQ-ZIAGYGMSSA-N 2 2 264.413 3.124 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423295553 528819771 /nfs/dbraw/zinc/81/97/71/528819771.db2.gz FDBOHIKOSPELDD-RYUDHWBXSA-N 2 2 268.376 3.002 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436250572 528823445 /nfs/dbraw/zinc/82/34/45/528823445.db2.gz HBTRRFONSGKKET-SJORKVTESA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436250572 528823453 /nfs/dbraw/zinc/82/34/53/528823453.db2.gz HBTRRFONSGKKET-SJORKVTESA-N 2 2 260.425 3.253 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000437008427 529203762 /nfs/dbraw/zinc/20/37/62/529203762.db2.gz RGZCXTDPIZYXKO-HUUCEWRRSA-N 2 2 273.355 3.078 20 0 CGADLP CCC[NH+]1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000514625547 534932066 /nfs/dbraw/zinc/93/20/66/534932066.db2.gz WQFCYXRCWDGXIF-UHFFFAOYSA-N 2 2 283.419 3.384 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093692851 535597239 /nfs/dbraw/zinc/59/72/39/535597239.db2.gz DUPITRICXZKTLF-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093692851 535597245 /nfs/dbraw/zinc/59/72/45/535597245.db2.gz DUPITRICXZKTLF-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc3cnccc3c2)c[nH+]1 ZINC000232453250 572426228 /nfs/dbraw/zinc/42/62/28/572426228.db2.gz LIBKJXMNRIWMDA-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392817 572576001 /nfs/dbraw/zinc/57/60/01/572576001.db2.gz SLVSHXDHGGQIFE-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000726607487 572588659 /nfs/dbraw/zinc/58/86/59/572588659.db2.gz XNQYLOXNWOHZBD-DAXSKMNVSA-N 2 2 290.370 3.070 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797974 573180155 /nfs/dbraw/zinc/18/01/55/573180155.db2.gz AYDPPUFTXCGYTP-MNOVXSKESA-N 2 2 287.860 3.101 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797974 573180161 /nfs/dbraw/zinc/18/01/61/573180161.db2.gz AYDPPUFTXCGYTP-MNOVXSKESA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797974 573180162 /nfs/dbraw/zinc/18/01/62/573180162.db2.gz AYDPPUFTXCGYTP-MNOVXSKESA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797974 573180167 /nfs/dbraw/zinc/18/01/67/573180167.db2.gz AYDPPUFTXCGYTP-MNOVXSKESA-N 2 2 287.860 3.101 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC000764766668 627222101 /nfs/dbraw/zinc/22/21/01/627222101.db2.gz DYWAYNAIWIWICL-AWEZNQCLSA-N 2 2 272.502 3.372 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892080306 618522228 /nfs/dbraw/zinc/52/22/28/618522228.db2.gz DSITYDTYJZLGIG-CQSZACIVSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892080306 618522237 /nfs/dbraw/zinc/52/22/37/618522237.db2.gz DSITYDTYJZLGIG-CQSZACIVSA-N 2 2 288.439 3.195 20 0 CGADLP C1C[C@H]2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@@H]1S2 ZINC000926677429 618817288 /nfs/dbraw/zinc/81/72/88/618817288.db2.gz YGEIOVYVVNIMMY-BMRXWSCTSA-N 2 2 280.481 3.020 20 0 CGADLP C1C[C@H]2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@@H]1S2 ZINC000926677429 618817290 /nfs/dbraw/zinc/81/72/90/618817290.db2.gz YGEIOVYVVNIMMY-BMRXWSCTSA-N 2 2 280.481 3.020 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000924573544 618856313 /nfs/dbraw/zinc/85/63/13/618856313.db2.gz QDQPEJRKHPCMFP-HUUCEWRRSA-N 2 2 291.439 3.005 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000924573544 618856314 /nfs/dbraw/zinc/85/63/14/618856314.db2.gz QDQPEJRKHPCMFP-HUUCEWRRSA-N 2 2 291.439 3.005 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892687679 618907248 /nfs/dbraw/zinc/90/72/48/618907248.db2.gz QJVSFCZZABMYMW-UHFFFAOYSA-N 2 2 296.842 3.400 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000925583179 619073928 /nfs/dbraw/zinc/07/39/28/619073928.db2.gz JSPDKSSXYZYQCN-JSGCOSHPSA-N 2 2 266.454 3.196 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925603879 619082143 /nfs/dbraw/zinc/08/21/43/619082143.db2.gz FNXALHFHONVILR-KCXAZCMYSA-N 2 2 291.439 3.001 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925603879 619082145 /nfs/dbraw/zinc/08/21/45/619082145.db2.gz FNXALHFHONVILR-KCXAZCMYSA-N 2 2 291.439 3.001 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000893323387 619094849 /nfs/dbraw/zinc/09/48/49/619094849.db2.gz CVMJHUNMLRRAFZ-UHFFFAOYSA-N 2 2 282.815 3.010 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000925751985 619214666 /nfs/dbraw/zinc/21/46/66/619214666.db2.gz SQORDTOOSMPTOH-OAHLLOKOSA-N 2 2 299.443 3.038 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000925751985 619214670 /nfs/dbraw/zinc/21/46/70/619214670.db2.gz SQORDTOOSMPTOH-OAHLLOKOSA-N 2 2 299.443 3.038 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893706492 619295975 /nfs/dbraw/zinc/29/59/75/619295975.db2.gz GZUJVVIBDSEIIK-CQSZACIVSA-N 2 2 287.407 3.187 20 0 CGADLP CCc1onc(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925889144 619308549 /nfs/dbraw/zinc/30/85/49/619308549.db2.gz HPODHILYVCPOCJ-NVXWUHKLSA-N 2 2 299.418 3.128 20 0 CGADLP c1nc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c[nH]1 ZINC000894207964 619419894 /nfs/dbraw/zinc/41/98/94/619419894.db2.gz BWHHZQXMFYPRBS-UHFFFAOYSA-N 2 2 298.434 3.076 20 0 CGADLP CC[C@@H](C1CC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895116803 619737429 /nfs/dbraw/zinc/73/74/29/619737429.db2.gz UEUDKGRUXSKKNK-JYJNAYRXSA-N 2 2 273.424 3.347 20 0 CGADLP Cc1sccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672045 619869297 /nfs/dbraw/zinc/86/92/97/619869297.db2.gz UTUDSETUIJQLKH-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000073007341 625405298 /nfs/dbraw/zinc/40/52/98/625405298.db2.gz RDNLOZLCPNPYDV-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2sccc21 ZINC000902468227 621339706 /nfs/dbraw/zinc/33/97/06/621339706.db2.gz RTNSQGQVVBFNRA-SJVBDLOYSA-N 2 2 262.422 3.169 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)cc1 ZINC000902468437 621340629 /nfs/dbraw/zinc/34/06/29/621340629.db2.gz TZHXBYAJXVYBGB-BYNSBNAKSA-N 2 2 264.800 3.274 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000902769123 621433276 /nfs/dbraw/zinc/43/32/76/621433276.db2.gz TVYUJIVZVVGROB-FUHWJXTLSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902827071 621458275 /nfs/dbraw/zinc/45/82/75/621458275.db2.gz VRKVIDHFXIFLBY-KBAYOESNSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902827071 621458278 /nfs/dbraw/zinc/45/82/78/621458278.db2.gz VRKVIDHFXIFLBY-KBAYOESNSA-N 2 2 294.483 3.046 20 0 CGADLP CS[C@H](C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902885469 621483937 /nfs/dbraw/zinc/48/39/37/621483937.db2.gz AUWWNANEFOTVIG-CHWSQXEVSA-N 2 2 275.421 3.274 20 0 CGADLP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902982325 621511377 /nfs/dbraw/zinc/51/13/77/621511377.db2.gz ZWPINTYZULNPJU-JLSDUUJJSA-N 2 2 299.418 3.481 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890054 621823039 /nfs/dbraw/zinc/82/30/39/621823039.db2.gz YNOBXVQUOOBAGO-CABCVRRESA-N 2 2 282.378 3.066 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890054 621823041 /nfs/dbraw/zinc/82/30/41/621823041.db2.gz YNOBXVQUOOBAGO-CABCVRRESA-N 2 2 282.378 3.066 20 0 CGADLP Cc1nc(C)c(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)s1 ZINC000904366678 621915795 /nfs/dbraw/zinc/91/57/95/621915795.db2.gz OSTPZEPVGVKCFQ-LBPRGKRZSA-N 2 2 269.458 3.003 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Cl)s1 ZINC000225326512 622905969 /nfs/dbraw/zinc/90/59/69/622905969.db2.gz JAPZNCDFRQCENP-SNVBAGLBSA-N 2 2 298.843 3.198 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc3c(c2)CCC[N@H+]3C)CC1 ZINC000153617839 623983059 /nfs/dbraw/zinc/98/30/59/623983059.db2.gz ZQXBCMRSUDPWEW-UHFFFAOYSA-N 2 2 287.451 3.355 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc3c(c2)CCC[N@@H+]3C)CC1 ZINC000153617839 623983084 /nfs/dbraw/zinc/98/30/84/623983084.db2.gz ZQXBCMRSUDPWEW-UHFFFAOYSA-N 2 2 287.451 3.355 20 0 CGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000179992134 624704453 /nfs/dbraw/zinc/70/44/53/624704453.db2.gz KRXJWVXBAJBZEH-AWEZNQCLSA-N 2 2 287.451 3.427 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000070149684 624960888 /nfs/dbraw/zinc/96/08/88/624960888.db2.gz FVDIZIVOFSFEQW-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000070149684 624960903 /nfs/dbraw/zinc/96/09/03/624960903.db2.gz FVDIZIVOFSFEQW-ZDUSSCGKSA-N 2 2 291.420 3.106 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000252426083 625903894 /nfs/dbraw/zinc/90/38/94/625903894.db2.gz RZTGZWGRXLWLAI-NVXWUHKLSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000252426083 625903911 /nfs/dbraw/zinc/90/39/11/625903911.db2.gz RZTGZWGRXLWLAI-NVXWUHKLSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1nc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)sc1C(C)(C)C ZINC000923368304 626149416 /nfs/dbraw/zinc/14/94/16/626149416.db2.gz AKHYQJNFCKRXDZ-LBPRGKRZSA-N 2 2 295.496 3.227 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519435 626160662 /nfs/dbraw/zinc/16/06/62/626160662.db2.gz QRBCPVHVPOWTJD-KGYLQXTDSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519435 626160663 /nfs/dbraw/zinc/16/06/63/626160663.db2.gz QRBCPVHVPOWTJD-KGYLQXTDSA-N 2 2 282.790 3.081 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000761431565 627041018 /nfs/dbraw/zinc/04/10/18/627041018.db2.gz GJNUGSUCCZZISM-BXUZGUMPSA-N 2 2 292.452 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000762382707 627107574 /nfs/dbraw/zinc/10/75/74/627107574.db2.gz WKTJROHSLNUETI-RVKKMQEKSA-N 2 2 299.418 3.042 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000762382707 627107577 /nfs/dbraw/zinc/10/75/77/627107577.db2.gz WKTJROHSLNUETI-RVKKMQEKSA-N 2 2 299.418 3.042 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763397046 627155981 /nfs/dbraw/zinc/15/59/81/627155981.db2.gz KRPFDXIGHVCDGS-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763397046 627155982 /nfs/dbraw/zinc/15/59/82/627155982.db2.gz KRPFDXIGHVCDGS-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000765256543 627243663 /nfs/dbraw/zinc/24/36/63/627243663.db2.gz DRZUCGHGKUQMBV-KRWDZBQOSA-N 2 2 269.392 3.249 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000769147837 627526267 /nfs/dbraw/zinc/52/62/67/627526267.db2.gz GODVGPYHNLUHNE-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000769147837 627526270 /nfs/dbraw/zinc/52/62/70/627526270.db2.gz GODVGPYHNLUHNE-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000769147837 627526273 /nfs/dbraw/zinc/52/62/73/627526273.db2.gz GODVGPYHNLUHNE-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000769147837 627526276 /nfs/dbraw/zinc/52/62/76/627526276.db2.gz GODVGPYHNLUHNE-HOTGVXAUSA-N 2 2 276.424 3.366 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777609879 628288530 /nfs/dbraw/zinc/28/85/30/628288530.db2.gz GRUYMYFGBCSFBI-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCc2ccccc21 ZINC000780297006 628479036 /nfs/dbraw/zinc/47/90/36/628479036.db2.gz ICDNONVIFVHFJQ-KURKYZTESA-N 2 2 284.447 3.275 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCc2ccccc21 ZINC000780297006 628479040 /nfs/dbraw/zinc/47/90/40/628479040.db2.gz ICDNONVIFVHFJQ-KURKYZTESA-N 2 2 284.447 3.275 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCc2ccccc21 ZINC000780297006 628479043 /nfs/dbraw/zinc/47/90/43/628479043.db2.gz ICDNONVIFVHFJQ-KURKYZTESA-N 2 2 284.447 3.275 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCc2ccccc21 ZINC000780297006 628479046 /nfs/dbraw/zinc/47/90/46/628479046.db2.gz ICDNONVIFVHFJQ-KURKYZTESA-N 2 2 284.447 3.275 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000783568892 628726991 /nfs/dbraw/zinc/72/69/91/628726991.db2.gz IFTRLQQHZNXVDX-LSDHHAIUSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000783568892 628726995 /nfs/dbraw/zinc/72/69/95/628726995.db2.gz IFTRLQQHZNXVDX-LSDHHAIUSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(C)CC1 ZINC000784514077 628818483 /nfs/dbraw/zinc/81/84/83/628818483.db2.gz PXMOTMJCUDHZAD-LLVKDONJSA-N 2 2 261.394 3.212 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)o1 ZINC000119177514 629449056 /nfs/dbraw/zinc/44/90/56/629449056.db2.gz USEJUBYEQFYDFL-UHFFFAOYSA-N 2 2 281.359 3.372 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806152773 629501496 /nfs/dbraw/zinc/50/14/96/629501496.db2.gz UVHMWTDSAXANDA-MOPGFXCFSA-N 2 2 299.462 3.429 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000863654568 629634470 /nfs/dbraw/zinc/63/44/70/629634470.db2.gz ZHWJUZRHEIDNMM-AWEZNQCLSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000863654568 629634474 /nfs/dbraw/zinc/63/44/74/629634474.db2.gz ZHWJUZRHEIDNMM-AWEZNQCLSA-N 2 2 264.413 3.035 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(C[NH+](C)C)cc2)n1C ZINC000863974232 629708234 /nfs/dbraw/zinc/70/82/34/629708234.db2.gz RJYNNLXILAPWSN-UHFFFAOYSA-N 2 2 257.381 3.272 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000815584702 631800701 /nfs/dbraw/zinc/80/07/01/631800701.db2.gz MPWDWSPCBSNEMJ-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000815584702 631800705 /nfs/dbraw/zinc/80/07/05/631800705.db2.gz MPWDWSPCBSNEMJ-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000817888400 632229575 /nfs/dbraw/zinc/22/95/75/632229575.db2.gz LDGFWGVGRLFYKB-WMLDXEAASA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccccc2s1 ZINC000817895069 632230822 /nfs/dbraw/zinc/23/08/22/632230822.db2.gz UMMVWBXFYYASBA-ACJTYDJDSA-N 2 2 287.432 3.230 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817897524 632231708 /nfs/dbraw/zinc/23/17/08/632231708.db2.gz RNGHFCHDUZMBCI-KSSFIOAISA-N 2 2 286.394 3.182 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817954074 632248844 /nfs/dbraw/zinc/24/88/44/632248844.db2.gz BFYPKPRBBWBDDZ-MSOLQXFVSA-N 2 2 296.414 3.362 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])ccc1SC(F)F ZINC000817970451 632264940 /nfs/dbraw/zinc/26/49/40/632264940.db2.gz VVHJWYDFNRSKNQ-DTWKUNHWSA-N 2 2 290.379 3.008 20 0 CGADLP Cc1cccc(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000866240023 633040070 /nfs/dbraw/zinc/04/00/70/633040070.db2.gz ZTYHECRJOXLMLI-INIZCTEOSA-N 2 2 271.408 3.193 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000824097834 633195045 /nfs/dbraw/zinc/19/50/45/633195045.db2.gz FEZHTQBPPYIFIG-HJOIGYKYSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000824097834 633195050 /nfs/dbraw/zinc/19/50/50/633195050.db2.gz FEZHTQBPPYIFIG-HJOIGYKYSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(O)ccc1F ZINC000872046830 633969308 /nfs/dbraw/zinc/96/93/08/633969308.db2.gz MPWJPBHGMYALLS-LBPRGKRZSA-N 2 2 294.414 3.445 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)CC ZINC000872087586 634013397 /nfs/dbraw/zinc/01/33/97/634013397.db2.gz FQFRUXMAQPRHDE-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000872090260 634015258 /nfs/dbraw/zinc/01/52/58/634015258.db2.gz OSHRWTQIEWYCEG-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000872090260 634015266 /nfs/dbraw/zinc/01/52/66/634015266.db2.gz OSHRWTQIEWYCEG-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102979 634024307 /nfs/dbraw/zinc/02/43/07/634024307.db2.gz VMIFZWWUPKTUCC-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872107753 634031041 /nfs/dbraw/zinc/03/10/41/634031041.db2.gz SEQPUNBDHCAFPN-PBHICJAKSA-N 2 2 299.418 3.338 20 0 CGADLP c1ccc2cc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)ccc2c1 ZINC000873230360 634293075 /nfs/dbraw/zinc/29/30/75/634293075.db2.gz QFQBEVPKIVSREO-MSOLQXFVSA-N 2 2 266.388 3.214 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873237575 634296869 /nfs/dbraw/zinc/29/68/69/634296869.db2.gz RCQJNDYWYUJLDS-CVEARBPZSA-N 2 2 275.440 3.291 20 0 CGADLP COc1c(C)c[nH+]c(CNc2ccc(C[NH+](C)C)cc2)c1C ZINC000876819418 634905972 /nfs/dbraw/zinc/90/59/72/634905972.db2.gz LFMZMFIMOZFPCV-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000877070855 634971252 /nfs/dbraw/zinc/97/12/52/634971252.db2.gz XGKZLLGPTYZYOU-QWRGUYRKSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070855 634971255 /nfs/dbraw/zinc/97/12/55/634971255.db2.gz XGKZLLGPTYZYOU-QWRGUYRKSA-N 2 2 293.798 3.054 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841031378 635109415 /nfs/dbraw/zinc/10/94/15/635109415.db2.gz ZXGBAWLVGHJEOO-ZDUSSCGKSA-N 2 2 276.380 3.049 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877739116 635173697 /nfs/dbraw/zinc/17/36/97/635173697.db2.gz FKYFPOBDUUQNRS-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877739116 635173699 /nfs/dbraw/zinc/17/36/99/635173699.db2.gz FKYFPOBDUUQNRS-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877739116 635173701 /nfs/dbraw/zinc/17/37/01/635173701.db2.gz FKYFPOBDUUQNRS-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877739116 635173703 /nfs/dbraw/zinc/17/37/03/635173703.db2.gz FKYFPOBDUUQNRS-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000877825446 635228618 /nfs/dbraw/zinc/22/86/18/635228618.db2.gz SMHLBFMQJSRMIW-LBPRGKRZSA-N 2 2 283.485 3.319 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000877825446 635228631 /nfs/dbraw/zinc/22/86/31/635228631.db2.gz SMHLBFMQJSRMIW-LBPRGKRZSA-N 2 2 283.485 3.319 20 0 CGADLP C[N@H+](Cc1ccc(SC(F)F)cc1)C1(C[NH3+])CCC1 ZINC000843125292 635561137 /nfs/dbraw/zinc/56/11/37/635561137.db2.gz RBOYCWKMYLMKRH-UHFFFAOYSA-N 2 2 286.391 3.315 20 0 CGADLP C[N@@H+](Cc1ccc(SC(F)F)cc1)C1(C[NH3+])CCC1 ZINC000843125292 635561142 /nfs/dbraw/zinc/56/11/42/635561142.db2.gz RBOYCWKMYLMKRH-UHFFFAOYSA-N 2 2 286.391 3.315 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142029 635922343 /nfs/dbraw/zinc/92/23/43/635922343.db2.gz WSIGYAJLSQESAD-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142029 635922346 /nfs/dbraw/zinc/92/23/46/635922346.db2.gz WSIGYAJLSQESAD-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCSC(C)(C)C ZINC000880142029 635922350 /nfs/dbraw/zinc/92/23/50/635922350.db2.gz WSIGYAJLSQESAD-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCSC(C)(C)C ZINC000880142029 635922353 /nfs/dbraw/zinc/92/23/53/635922353.db2.gz WSIGYAJLSQESAD-UONOGXRCSA-N 2 2 270.486 3.077 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472636 636007445 /nfs/dbraw/zinc/00/74/45/636007445.db2.gz WKVWHWBBCMUJRD-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP c1cn(C[C@H]([NH2+]CC2=CCCC2)c2ccccc2)c[nH+]1 ZINC000880568825 636022718 /nfs/dbraw/zinc/02/27/18/636022718.db2.gz DIYLEJBXJYNNSD-KRWDZBQOSA-N 2 2 267.376 3.324 20 0 CGADLP COCCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569178 636023234 /nfs/dbraw/zinc/02/32/34/636023234.db2.gz JFJGEKZUAXLMCR-KRWDZBQOSA-N 2 2 287.407 3.031 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883222890 636595982 /nfs/dbraw/zinc/59/59/82/636595982.db2.gz CSUWTCACJHOBHV-XUJVJEKNSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883236838 636606516 /nfs/dbraw/zinc/60/65/16/636606516.db2.gz LTMMUEKITPWDGB-DJIMGWMZSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568658 636611345 /nfs/dbraw/zinc/61/13/45/636611345.db2.gz NLYLNOOOTVEILR-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568658 636611350 /nfs/dbraw/zinc/61/13/50/636611350.db2.gz NLYLNOOOTVEILR-ZTFGCOKTSA-N 2 2 290.426 3.363 20 0 CGADLP c1cnc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2c1 ZINC000848574388 636613118 /nfs/dbraw/zinc/61/31/18/636613118.db2.gz DOGCIXGMMOUQBM-MJGOQNOKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000848574388 636613122 /nfs/dbraw/zinc/61/31/22/636613122.db2.gz DOGCIXGMMOUQBM-MJGOQNOKSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927777 636700344 /nfs/dbraw/zinc/70/03/44/636700344.db2.gz NKUBUAXSWDJRRC-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848927777 636700348 /nfs/dbraw/zinc/70/03/48/636700348.db2.gz NKUBUAXSWDJRRC-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCc2cn(C)c[nH+]2)cc1 ZINC000849040468 636728178 /nfs/dbraw/zinc/72/81/78/636728178.db2.gz WJQJBYIHZBSAFS-CYBMUJFWSA-N 2 2 299.422 3.113 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000135164209 637095292 /nfs/dbraw/zinc/09/52/92/637095292.db2.gz OIRWHXMUCPOPKZ-UKRRQHHQSA-N 2 2 255.365 3.151 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)C(C)(C)C ZINC000885990103 637344091 /nfs/dbraw/zinc/34/40/91/637344091.db2.gz BHFOYVFCRNKZOL-CQSZACIVSA-N 2 2 283.847 3.191 20 0 CGADLP Cc1cnc([C@@H](C)[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)o1 ZINC000886662586 637639258 /nfs/dbraw/zinc/63/92/58/637639258.db2.gz HDLDCNAVHOQPJF-CYBMUJFWSA-N 2 2 288.395 3.264 20 0 CGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000924584840 638368169 /nfs/dbraw/zinc/36/81/69/638368169.db2.gz NAXLTKZKQAYPKH-CQSZACIVSA-N 2 2 287.407 3.367 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924622683 638377879 /nfs/dbraw/zinc/37/78/79/638377879.db2.gz FBHRZWPVSHZCRG-FCEWJHQRSA-N 2 2 293.414 3.376 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924682674 638387009 /nfs/dbraw/zinc/38/70/09/638387009.db2.gz CZPSPEVHQRGZRG-HZSPNIEDSA-N 2 2 293.455 3.310 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924682674 638387016 /nfs/dbraw/zinc/38/70/16/638387016.db2.gz CZPSPEVHQRGZRG-HZSPNIEDSA-N 2 2 293.455 3.310 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccns1 ZINC000924927332 638425941 /nfs/dbraw/zinc/42/59/41/638425941.db2.gz PLEISRAZMNFRFP-GFCCVEGCSA-N 2 2 276.409 3.081 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[NH2+]C3(C)C)cc2c1C ZINC000925473711 638507222 /nfs/dbraw/zinc/50/72/22/638507222.db2.gz OPBHIDMSYFFWFS-INIZCTEOSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC000925483631 638508799 /nfs/dbraw/zinc/50/87/99/638508799.db2.gz WHXCGUWGLCANSV-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925553348 638527885 /nfs/dbraw/zinc/52/78/85/638527885.db2.gz PAPPJETZTGNRFC-YOEHRIQHSA-N 2 2 288.435 3.409 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925685889 638568207 /nfs/dbraw/zinc/56/82/07/638568207.db2.gz PPUYCZKNAACSSU-BMGDILEWSA-N 2 2 287.451 3.312 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925685889 638568213 /nfs/dbraw/zinc/56/82/13/638568213.db2.gz PPUYCZKNAACSSU-BMGDILEWSA-N 2 2 287.451 3.312 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925720235 638580162 /nfs/dbraw/zinc/58/01/62/638580162.db2.gz XBBRFPLABDTHAO-CYBMUJFWSA-N 2 2 286.341 3.022 20 0 CGADLP Cc1cc(N[C@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]c1C ZINC000925768834 638605056 /nfs/dbraw/zinc/60/50/56/638605056.db2.gz LHYJPEDYOSBOLV-HOTGVXAUSA-N 2 2 253.349 3.255 20 0 CGADLP C[C@@H]([NH2+]Cc1cscc1Cl)c1c[nH+]ccc1N ZINC000925773391 638607147 /nfs/dbraw/zinc/60/71/47/638607147.db2.gz YAIDXIWQVCKVIR-MRVPVSSYSA-N 2 2 267.785 3.060 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872504 638636836 /nfs/dbraw/zinc/63/68/36/638636836.db2.gz VJKDRJUQHQGIHL-IKGGRYGDSA-N 2 2 279.387 3.193 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858146307 638641994 /nfs/dbraw/zinc/64/19/94/638641994.db2.gz CFCBGLQBYVTTEU-CYBMUJFWSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858146307 638642000 /nfs/dbraw/zinc/64/20/00/638642000.db2.gz CFCBGLQBYVTTEU-CYBMUJFWSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000925973861 638668472 /nfs/dbraw/zinc/66/84/72/638668472.db2.gz URAZAICEPXXNLA-TVFCKZIOSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000925973861 638668481 /nfs/dbraw/zinc/66/84/81/638668481.db2.gz URAZAICEPXXNLA-TVFCKZIOSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(O)cc(F)c1 ZINC000926339751 638764175 /nfs/dbraw/zinc/76/41/75/638764175.db2.gz QHXOMJMHLOSKNB-JQRITLKVSA-N 2 2 292.398 3.199 20 0 CGADLP COCc1cc[nH+]c(N[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000926658624 638795542 /nfs/dbraw/zinc/79/55/42/638795542.db2.gz DOHMHGLRPXLDQB-AWEZNQCLSA-N 2 2 299.418 3.463 20 0 CGADLP C(C[C@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000927123832 638845603 /nfs/dbraw/zinc/84/56/03/638845603.db2.gz CBSLCLWKIMGZGD-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C(C[C@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000927123832 638845606 /nfs/dbraw/zinc/84/56/06/638845606.db2.gz CBSLCLWKIMGZGD-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000929783369 638950992 /nfs/dbraw/zinc/95/09/92/638950992.db2.gz PWMSMZIEMFFDIM-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000929783369 638950993 /nfs/dbraw/zinc/95/09/93/638950993.db2.gz PWMSMZIEMFFDIM-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783369 638950994 /nfs/dbraw/zinc/95/09/94/638950994.db2.gz PWMSMZIEMFFDIM-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783369 638950995 /nfs/dbraw/zinc/95/09/95/638950995.db2.gz PWMSMZIEMFFDIM-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791592 638952428 /nfs/dbraw/zinc/95/24/28/638952428.db2.gz UEHPCNVEOPPWCO-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791592 638952430 /nfs/dbraw/zinc/95/24/30/638952430.db2.gz UEHPCNVEOPPWCO-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791592 638952432 /nfs/dbraw/zinc/95/24/32/638952432.db2.gz UEHPCNVEOPPWCO-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929791592 638952433 /nfs/dbraw/zinc/95/24/33/638952433.db2.gz UEHPCNVEOPPWCO-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC(C)c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001156390556 805682509 /nfs/dbraw/zinc/68/25/09/805682509.db2.gz YLVSZVDNNBILCV-AWEZNQCLSA-N 2 2 261.413 3.349 20 0 CGADLP CC(C)c1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001156390556 805682511 /nfs/dbraw/zinc/68/25/11/805682511.db2.gz YLVSZVDNNBILCV-AWEZNQCLSA-N 2 2 261.413 3.349 20 0 CGADLP Cc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001157742129 805860938 /nfs/dbraw/zinc/86/09/38/805860938.db2.gz CVOLEUOFAFYZGG-IUODEOHRSA-N 2 2 288.439 3.149 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158265494 805932415 /nfs/dbraw/zinc/93/24/15/805932415.db2.gz OMKJDUAWVVGYTQ-BLLLJJGKSA-N 2 2 279.403 3.485 20 0 CGADLP Cc1c[nH+]c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1C ZINC001158628781 805979753 /nfs/dbraw/zinc/97/97/53/805979753.db2.gz OCTMBBYRMTZIHF-AWEZNQCLSA-N 2 2 295.377 3.008 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159042077 806035294 /nfs/dbraw/zinc/03/52/94/806035294.db2.gz NZUGQVBGIAZIQA-UHFFFAOYSA-N 2 2 287.794 3.078 20 0 CGADLP Cc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1C ZINC001159262222 806069154 /nfs/dbraw/zinc/06/91/54/806069154.db2.gz SZSAFYFWSQRZAK-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP FC1(F)CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001254217471 806369908 /nfs/dbraw/zinc/36/99/08/806369908.db2.gz ZDJAVGJCDASEMB-UHFFFAOYSA-N 2 2 265.307 3.002 20 0 CGADLP CC(C)(C)CCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161675935 806413972 /nfs/dbraw/zinc/41/39/72/806413972.db2.gz DXBPCUIZIDZPGA-OAHLLOKOSA-N 2 2 275.440 3.068 20 0 CGADLP CC(C)(C)CCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161675935 806413980 /nfs/dbraw/zinc/41/39/80/806413980.db2.gz DXBPCUIZIDZPGA-OAHLLOKOSA-N 2 2 275.440 3.068 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC1 ZINC001254510134 806429732 /nfs/dbraw/zinc/42/97/32/806429732.db2.gz RZDZKQUSRQCIJY-ZDUSSCGKSA-N 2 2 280.362 3.028 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC1 ZINC001254510134 806429739 /nfs/dbraw/zinc/42/97/39/806429739.db2.gz RZDZKQUSRQCIJY-ZDUSSCGKSA-N 2 2 280.362 3.028 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525861 806439696 /nfs/dbraw/zinc/43/96/96/806439696.db2.gz NODBFUVEPJUYAY-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525861 806439699 /nfs/dbraw/zinc/43/96/99/806439699.db2.gz NODBFUVEPJUYAY-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525861 806439702 /nfs/dbraw/zinc/43/97/02/806439702.db2.gz NODBFUVEPJUYAY-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525861 806439703 /nfs/dbraw/zinc/43/97/03/806439703.db2.gz NODBFUVEPJUYAY-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC(C)(C)C1 ZINC001254840754 806495873 /nfs/dbraw/zinc/49/58/73/806495873.db2.gz NLVWYMFUVQMYGO-BMFZPTHFSA-N 2 2 264.457 3.275 20 0 CGADLP Fc1c(Cl)cccc1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848444 806496950 /nfs/dbraw/zinc/49/69/50/806496950.db2.gz QESVPWTYPIGVBX-AWEZNQCLSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)ccc1F ZINC001254846238 806497317 /nfs/dbraw/zinc/49/73/17/806497317.db2.gz SNWQEMOTJFLKFV-CJNGLKHVSA-N 2 2 276.399 3.269 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862573 806501795 /nfs/dbraw/zinc/50/17/95/806501795.db2.gz NCQMJEZDOAOKRI-HUUCEWRRSA-N 2 2 276.449 3.369 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862573 806501799 /nfs/dbraw/zinc/50/17/99/806501799.db2.gz NCQMJEZDOAOKRI-HUUCEWRRSA-N 2 2 276.449 3.369 20 0 CGADLP CCCC[NH+](CCCC)CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254930842 806511467 /nfs/dbraw/zinc/51/14/67/806511467.db2.gz KIOKQVAZWDYZAS-FVQHAEBGSA-N 2 2 294.483 3.236 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001162258384 806542959 /nfs/dbraw/zinc/54/29/59/806542959.db2.gz KMWPFQNYWSVRQG-KBPBESRZSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001162258384 806542962 /nfs/dbraw/zinc/54/29/62/806542962.db2.gz KMWPFQNYWSVRQG-KBPBESRZSA-N 2 2 290.455 3.134 20 0 CGADLP CC[NH+](CC)C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001162308156 806550937 /nfs/dbraw/zinc/55/09/37/806550937.db2.gz PVGTXLUJZVNCTH-ZDUSSCGKSA-N 2 2 297.406 3.025 20 0 CGADLP COc1ccc([NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)c2[nH]ccc21 ZINC001162455560 806587587 /nfs/dbraw/zinc/58/75/87/806587587.db2.gz DUJFWPMFOPSJCF-CHWSQXEVSA-N 2 2 287.407 3.224 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[NH2+]C[C@H]3C)cc[nH+]c12 ZINC001162467375 806591035 /nfs/dbraw/zinc/59/10/35/806591035.db2.gz QCUBEWTWODAFJX-KGLIPLIRSA-N 2 2 299.418 3.291 20 0 CGADLP C[N@H+]([C@@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255282928 806594370 /nfs/dbraw/zinc/59/43/70/806594370.db2.gz WVIUMWBEKNXBEB-QGZVFWFLSA-N 2 2 290.476 3.088 20 0 CGADLP C[N@@H+]([C@@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255282928 806594377 /nfs/dbraw/zinc/59/43/77/806594377.db2.gz WVIUMWBEKNXBEB-QGZVFWFLSA-N 2 2 290.476 3.088 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000036842696 798851925 /nfs/dbraw/zinc/85/19/25/798851925.db2.gz XLQSDQNSAICZJC-JCYILVPMSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000036842696 798851931 /nfs/dbraw/zinc/85/19/31/798851931.db2.gz XLQSDQNSAICZJC-JCYILVPMSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156195 798859962 /nfs/dbraw/zinc/85/99/62/798859962.db2.gz PWSCXFZMWQEEBX-INIZCTEOSA-N 2 2 271.408 3.396 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC=CCC1 ZINC000037156054 798860723 /nfs/dbraw/zinc/86/07/23/798860723.db2.gz WOKDJHSZXOJFTB-CABCVRRESA-N 2 2 261.413 3.244 20 0 CGADLP Cc1ccsc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156317 798861181 /nfs/dbraw/zinc/86/11/81/798861181.db2.gz ATHLXWBSHVNBFZ-CQSZACIVSA-N 2 2 277.437 3.458 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1 ZINC000037156567 798862490 /nfs/dbraw/zinc/86/24/90/798862490.db2.gz FOLQCGJICFYUPE-ZFWWWQNUSA-N 2 2 272.396 3.044 20 0 CGADLP CCCC(C[NH3+])(CCC)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001163040841 806696230 /nfs/dbraw/zinc/69/62/30/806696230.db2.gz SZFGPZSNODRBPV-UHFFFAOYSA-N 2 2 293.459 3.032 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000075640842 798922951 /nfs/dbraw/zinc/92/29/51/798922951.db2.gz BDSMQQGHWXOUME-UHFFFAOYSA-N 2 2 289.467 3.059 20 0 CGADLP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000262922764 799177923 /nfs/dbraw/zinc/17/79/23/799177923.db2.gz HBWFRRJZSSNSIM-CQSZACIVSA-N 2 2 284.403 3.314 20 0 CGADLP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000262922764 799177928 /nfs/dbraw/zinc/17/79/28/799177928.db2.gz HBWFRRJZSSNSIM-CQSZACIVSA-N 2 2 284.403 3.314 20 0 CGADLP Cc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[NH+](C)C ZINC001163228790 806730141 /nfs/dbraw/zinc/73/01/41/806730141.db2.gz DAPSSTHQLHWBAH-CQSZACIVSA-N 2 2 287.432 3.379 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826797 799367552 /nfs/dbraw/zinc/36/75/52/799367552.db2.gz NXSDOGJAANQGLO-BDAKNGLRSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826797 799367549 /nfs/dbraw/zinc/36/75/49/799367549.db2.gz NXSDOGJAANQGLO-BDAKNGLRSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978480 799430258 /nfs/dbraw/zinc/43/02/58/799430258.db2.gz QWPKWZRSJQVHEN-NXEZZACHSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978480 799430262 /nfs/dbraw/zinc/43/02/62/799430262.db2.gz QWPKWZRSJQVHEN-NXEZZACHSA-N 2 2 260.303 3.045 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390835922 799475410 /nfs/dbraw/zinc/47/54/10/799475410.db2.gz AUZNGKZQOXJOIX-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000390835922 799475413 /nfs/dbraw/zinc/47/54/13/799475413.db2.gz AUZNGKZQOXJOIX-FUDCBSFHSA-N 2 2 292.398 3.110 20 0 CGADLP CSCC1CCC([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000395171542 799503161 /nfs/dbraw/zinc/50/31/61/799503161.db2.gz WYZNYTIBCBKCKW-QQFBHYJXSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397970109 799524733 /nfs/dbraw/zinc/52/47/33/799524733.db2.gz ZPFLFTLDQDQODD-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397970109 799524735 /nfs/dbraw/zinc/52/47/35/799524735.db2.gz ZPFLFTLDQDQODD-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000688774348 799754885 /nfs/dbraw/zinc/75/48/85/799754885.db2.gz BKDPCYCKLCMGSU-AEGPPILISA-N 2 2 282.378 3.095 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000688774348 799754890 /nfs/dbraw/zinc/75/48/90/799754890.db2.gz BKDPCYCKLCMGSU-AEGPPILISA-N 2 2 282.378 3.095 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC001255864785 806773907 /nfs/dbraw/zinc/77/39/07/806773907.db2.gz LDKHXMSSPPMQAL-PBHICJAKSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC001255864785 806773911 /nfs/dbraw/zinc/77/39/11/806773911.db2.gz LDKHXMSSPPMQAL-PBHICJAKSA-N 2 2 278.415 3.077 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CCSC3)cc2)c[nH+]1 ZINC000704845626 799942160 /nfs/dbraw/zinc/94/21/60/799942160.db2.gz OEBWMBUZDNVPGX-OAHLLOKOSA-N 2 2 287.432 3.105 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+]1CCCCC1 ZINC000705356209 799947840 /nfs/dbraw/zinc/94/78/40/799947840.db2.gz SRWOUNSJJBDASD-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC001255944742 806791561 /nfs/dbraw/zinc/79/15/61/806791561.db2.gz YQPPFUHQMOUCCM-NSHDSACASA-N 2 2 288.357 3.314 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001255952579 806794897 /nfs/dbraw/zinc/79/48/97/806794897.db2.gz VBQZFCVAMSHWIC-BBRMVZONSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001255967523 806801397 /nfs/dbraw/zinc/80/13/97/806801397.db2.gz QJLJVYIBJNUKCD-CYBMUJFWSA-N 2 2 283.847 3.287 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001255967523 806801403 /nfs/dbraw/zinc/80/14/03/806801403.db2.gz QJLJVYIBJNUKCD-CYBMUJFWSA-N 2 2 283.847 3.287 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716273353 800167241 /nfs/dbraw/zinc/16/72/41/800167241.db2.gz WSJSGUUEDZYLMB-MAUKXSAKSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256107532 806822218 /nfs/dbraw/zinc/82/22/18/806822218.db2.gz YCHXRUMUOIISLW-PVAVHDDUSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000723623237 800332345 /nfs/dbraw/zinc/33/23/45/800332345.db2.gz VOOSQZUFRAMRKH-WCXIOVBPSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000723623237 800332351 /nfs/dbraw/zinc/33/23/51/800332351.db2.gz VOOSQZUFRAMRKH-WCXIOVBPSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1cc[nH+]c(N)c1CNc1ccc([NH+]2CCCC2)cc1C ZINC000894097273 800575774 /nfs/dbraw/zinc/57/57/74/800575774.db2.gz IBIZEODSLBNMEA-UHFFFAOYSA-N 2 2 296.418 3.493 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001256203088 806849217 /nfs/dbraw/zinc/84/92/17/806849217.db2.gz RAGUEVQYIRUJLW-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001256203088 806849225 /nfs/dbraw/zinc/84/92/25/806849225.db2.gz RAGUEVQYIRUJLW-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NCCn2cc[nH+]c2C)c1 ZINC001163933101 806854459 /nfs/dbraw/zinc/85/44/59/806854459.db2.gz NQTZLUBUEWJAID-UHFFFAOYSA-N 2 2 286.423 3.458 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629441 806932370 /nfs/dbraw/zinc/93/23/70/806932370.db2.gz GBAWKHACYMSADB-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629441 806932377 /nfs/dbraw/zinc/93/23/77/806932377.db2.gz GBAWKHACYMSADB-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629441 806932381 /nfs/dbraw/zinc/93/23/81/806932381.db2.gz GBAWKHACYMSADB-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629441 806932384 /nfs/dbraw/zinc/93/23/84/806932384.db2.gz GBAWKHACYMSADB-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP CC[NH+]1CCC(N(C)c2[nH+]ccc3ccccc32)CC1 ZINC001165068469 806967938 /nfs/dbraw/zinc/96/79/38/806967938.db2.gz MKPDVHPPNOZNSJ-UHFFFAOYSA-N 2 2 269.392 3.155 20 0 CGADLP CNc1cc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)cc[nH+]1 ZINC001244978348 803601573 /nfs/dbraw/zinc/60/15/73/803601573.db2.gz SSXAMKDZGPNWLN-UHFFFAOYSA-N 2 2 294.402 3.376 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138721725 804018445 /nfs/dbraw/zinc/01/84/45/804018445.db2.gz HEXHUGFKTDGELO-GASCZTMLSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138721725 804018452 /nfs/dbraw/zinc/01/84/52/804018452.db2.gz HEXHUGFKTDGELO-GASCZTMLSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138721725 804018461 /nfs/dbraw/zinc/01/84/61/804018461.db2.gz HEXHUGFKTDGELO-GASCZTMLSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138721725 804018470 /nfs/dbraw/zinc/01/84/70/804018470.db2.gz HEXHUGFKTDGELO-GASCZTMLSA-N 2 2 292.854 3.422 20 0 CGADLP [NH3+]C[C@H]([NH2+]C1CCc2ccccc2CC1)c1ccccc1 ZINC001246074460 804112130 /nfs/dbraw/zinc/11/21/30/804112130.db2.gz DUDWQIXXZOGXPQ-IBGZPJMESA-N 2 2 280.415 3.224 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246078579 804115802 /nfs/dbraw/zinc/11/58/02/804115802.db2.gz VXVMDUWMXOLZSI-QAPCUYQASA-N 2 2 268.404 3.216 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246090360 804122615 /nfs/dbraw/zinc/12/26/15/804122615.db2.gz FJUYJZCMKNCMSF-NCOADZHNSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+](Cc1cccc2c1ccn2C)C1CC[NH+](C)CC1 ZINC001139161059 804145788 /nfs/dbraw/zinc/14/57/88/804145788.db2.gz QYBFNHTXASCJGO-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](Cc1cccc2c1ccn2C)C1CC[NH+](C)CC1 ZINC001139161059 804145792 /nfs/dbraw/zinc/14/57/92/804145792.db2.gz QYBFNHTXASCJGO-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139173022 804149777 /nfs/dbraw/zinc/14/97/77/804149777.db2.gz CQSTZWYFTXVMCH-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139173022 804149779 /nfs/dbraw/zinc/14/97/79/804149779.db2.gz CQSTZWYFTXVMCH-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC001246157453 804173742 /nfs/dbraw/zinc/17/37/42/804173742.db2.gz BEDGSGVLYZGROH-UKRRQHHQSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC001246162513 804179150 /nfs/dbraw/zinc/17/91/50/804179150.db2.gz ZOZCZXDQOJCJQM-FOSCPWQOSA-N 2 2 282.790 3.160 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210207 804208691 /nfs/dbraw/zinc/20/86/91/804208691.db2.gz IQOVHELUXRJMMJ-RYUDHWBXSA-N 2 2 264.800 3.059 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246224422 804219589 /nfs/dbraw/zinc/21/95/89/804219589.db2.gz GGTQBMHYMSGMAP-JSGCOSHPSA-N 2 2 282.378 3.221 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]1 ZINC001246230259 804223553 /nfs/dbraw/zinc/22/35/53/804223553.db2.gz FLHGESCHNYTOMC-UKRRQHHQSA-N 2 2 284.806 3.345 20 0 CGADLP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cs1 ZINC001246275125 804251796 /nfs/dbraw/zinc/25/17/96/804251796.db2.gz FCFDSBLFNQCDFZ-MRXNPFEDSA-N 2 2 272.417 3.257 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246278190 804253782 /nfs/dbraw/zinc/25/37/82/804253782.db2.gz FGCAMWBEUUUIFS-BMFZPTHFSA-N 2 2 260.425 3.491 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc32)C[C@H](CC)[NH2+]1 ZINC001246278594 804255515 /nfs/dbraw/zinc/25/55/15/804255515.db2.gz LKGIORHQWVCNOB-NHIYQJMISA-N 2 2 292.398 3.158 20 0 CGADLP Cc1c(F)ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC001246290503 804261839 /nfs/dbraw/zinc/26/18/39/804261839.db2.gz XUVYVGOVYKSVAL-DZGCQCFKSA-N 2 2 282.378 3.139 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324584 804282419 /nfs/dbraw/zinc/28/24/19/804282419.db2.gz FQYNTHFQVSKEKL-NHYWBVRUSA-N 2 2 298.833 3.388 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324607 804283056 /nfs/dbraw/zinc/28/30/56/804283056.db2.gz GBNJMARBDSWCFA-SWLSCSKDSA-N 2 2 296.455 3.284 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246347400 804298663 /nfs/dbraw/zinc/29/86/63/804298663.db2.gz GXYQCGCFZJAZFO-YRGRVCCFSA-N 2 2 266.816 3.440 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2F)CC[NH2+]1 ZINC001246355857 804300735 /nfs/dbraw/zinc/30/07/35/804300735.db2.gz FHRMGRZSMODPST-CABCVRRESA-N 2 2 294.414 3.235 20 0 CGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246355114 804301331 /nfs/dbraw/zinc/30/13/31/804301331.db2.gz IOSQZDJXBCFXIH-MNEFBYGVSA-N 2 2 293.414 3.236 20 0 CGADLP Fc1cccc([C@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246453060 804336548 /nfs/dbraw/zinc/33/65/48/804336548.db2.gz SMWJTFVKGOZEMQ-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC2(CC2)C1 ZINC001140021959 804351769 /nfs/dbraw/zinc/35/17/69/804351769.db2.gz VKTPERVQGIHDLN-UHFFFAOYSA-N 2 2 267.376 3.167 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC2(CC2)C1 ZINC001140021959 804351778 /nfs/dbraw/zinc/35/17/78/804351778.db2.gz VKTPERVQGIHDLN-UHFFFAOYSA-N 2 2 267.376 3.167 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246503704 804364145 /nfs/dbraw/zinc/36/41/45/804364145.db2.gz MCQZPQIVWDJTFJ-YIKOMLBNSA-N 2 2 296.867 3.018 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC001246508799 804368411 /nfs/dbraw/zinc/36/84/11/804368411.db2.gz DTNMLRCIOHPEIU-LXZKKBNFSA-N 2 2 290.451 3.499 20 0 CGADLP CCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246528459 804380138 /nfs/dbraw/zinc/38/01/38/804380138.db2.gz XKADYUCEAIYFMV-CVEARBPZSA-N 2 2 292.423 3.031 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548923 804399196 /nfs/dbraw/zinc/39/91/96/804399196.db2.gz IIUOULCOBFGSHA-STQMWFEESA-N 2 2 298.833 3.342 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548923 804399205 /nfs/dbraw/zinc/39/92/05/804399205.db2.gz IIUOULCOBFGSHA-STQMWFEESA-N 2 2 298.833 3.342 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)cc1O ZINC001140202017 804402024 /nfs/dbraw/zinc/40/20/24/804402024.db2.gz KCTGTQUKTDAFQK-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)cc1O ZINC001140202017 804402027 /nfs/dbraw/zinc/40/20/27/804402027.db2.gz KCTGTQUKTDAFQK-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562088 804412039 /nfs/dbraw/zinc/41/20/39/804412039.db2.gz HVBSYLHEZASXRA-JMSVASOKSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562088 804412042 /nfs/dbraw/zinc/41/20/42/804412042.db2.gz HVBSYLHEZASXRA-JMSVASOKSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246572399 804418891 /nfs/dbraw/zinc/41/88/91/804418891.db2.gz WUHJNGNXVQSDEX-LALPHHSUSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246572399 804418892 /nfs/dbraw/zinc/41/88/92/804418892.db2.gz WUHJNGNXVQSDEX-LALPHHSUSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579892 804423989 /nfs/dbraw/zinc/42/39/89/804423989.db2.gz LZENNMMUILMGTE-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579892 804423993 /nfs/dbraw/zinc/42/39/93/804423993.db2.gz LZENNMMUILMGTE-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246586108 804429287 /nfs/dbraw/zinc/42/92/87/804429287.db2.gz LIXDNGKOHRPIPX-KCPJHIHWSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246586108 804429290 /nfs/dbraw/zinc/42/92/90/804429290.db2.gz LIXDNGKOHRPIPX-KCPJHIHWSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246626837 804458885 /nfs/dbraw/zinc/45/88/85/804458885.db2.gz VHBLELCIMCBVDK-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246626837 804458888 /nfs/dbraw/zinc/45/88/88/804458888.db2.gz VHBLELCIMCBVDK-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246644586 804472320 /nfs/dbraw/zinc/47/23/20/804472320.db2.gz IHQUIBZJNUDPLC-BZUNDVKYSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644586 804472323 /nfs/dbraw/zinc/47/23/23/804472323.db2.gz IHQUIBZJNUDPLC-BZUNDVKYSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC001246688905 804497479 /nfs/dbraw/zinc/49/74/79/804497479.db2.gz IIIRNEUQLRFCNF-RHSMWYFYSA-N 2 2 258.409 3.007 20 0 CGADLP COc1ccc(C2CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC001246790355 804513521 /nfs/dbraw/zinc/51/35/21/804513521.db2.gz WEMAKRKUMJEZKQ-PBHICJAKSA-N 2 2 288.435 3.015 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799773 804518673 /nfs/dbraw/zinc/51/86/73/804518673.db2.gz LOUPEFNPPFVLDQ-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP FC1(F)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802174 804521203 /nfs/dbraw/zinc/52/12/03/804521203.db2.gz PSBPRTRFLRFKEP-UHFFFAOYSA-N 2 2 265.307 3.184 20 0 CGADLP FC1(F)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802174 804521205 /nfs/dbraw/zinc/52/12/05/804521205.db2.gz PSBPRTRFLRFKEP-UHFFFAOYSA-N 2 2 265.307 3.184 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246807692 804525386 /nfs/dbraw/zinc/52/53/86/804525386.db2.gz PJRVKQMQXRUYKB-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246807692 804525390 /nfs/dbraw/zinc/52/53/90/804525390.db2.gz PJRVKQMQXRUYKB-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP COc1ccccc1C1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246818946 804533212 /nfs/dbraw/zinc/53/32/12/804533212.db2.gz GJRAYGQPINBQGM-GOEBONIOSA-N 2 2 288.435 3.015 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001246820997 804535306 /nfs/dbraw/zinc/53/53/06/804535306.db2.gz LKCQUUFFHAMSDC-DYEKYZERSA-N 2 2 282.428 3.118 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246820064 804535187 /nfs/dbraw/zinc/53/51/87/804535187.db2.gz DYJUEIKZZGKIMZ-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246820064 804535193 /nfs/dbraw/zinc/53/51/93/804535193.db2.gz DYJUEIKZZGKIMZ-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001246820997 804535299 /nfs/dbraw/zinc/53/52/99/804535299.db2.gz LKCQUUFFHAMSDC-DYEKYZERSA-N 2 2 282.428 3.118 20 0 CGADLP CC(C)C1CCC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246827589 804539400 /nfs/dbraw/zinc/53/94/00/804539400.db2.gz ORGWTECFSWPLQQ-DKNRTOFZSA-N 2 2 292.389 3.413 20 0 CGADLP CC(C)C1CCC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246827589 804539405 /nfs/dbraw/zinc/53/94/05/804539405.db2.gz ORGWTECFSWPLQQ-DKNRTOFZSA-N 2 2 292.389 3.413 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H]1C ZINC001246826063 804539598 /nfs/dbraw/zinc/53/95/98/804539598.db2.gz AXWZFYUUYRDDHT-RXGFPQBGSA-N 2 2 278.362 3.023 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@@H]1C ZINC001246826063 804539607 /nfs/dbraw/zinc/53/96/07/804539607.db2.gz AXWZFYUUYRDDHT-RXGFPQBGSA-N 2 2 278.362 3.023 20 0 CGADLP C[C@@H]1CC([N@@H+]2CCc3cc(Cl)ccc3C2)C[C@@H](C)[NH2+]1 ZINC001246835646 804545012 /nfs/dbraw/zinc/54/50/12/804545012.db2.gz KWTFGPXPAJZNAZ-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1CC([N@H+]2CCc3cc(Cl)ccc3C2)C[C@@H](C)[NH2+]1 ZINC001246835646 804545016 /nfs/dbraw/zinc/54/50/16/804545016.db2.gz KWTFGPXPAJZNAZ-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844697 804553900 /nfs/dbraw/zinc/55/39/00/804553900.db2.gz BQNTWSXXAYLGPB-PBHICJAKSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844697 804553906 /nfs/dbraw/zinc/55/39/06/804553906.db2.gz BQNTWSXXAYLGPB-PBHICJAKSA-N 2 2 292.854 3.475 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246845178 804554373 /nfs/dbraw/zinc/55/43/73/804554373.db2.gz LIFWSPVHTRZSLU-VQHPVUNQSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246845178 804554379 /nfs/dbraw/zinc/55/43/79/804554379.db2.gz LIFWSPVHTRZSLU-VQHPVUNQSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246847961 804558433 /nfs/dbraw/zinc/55/84/33/804558433.db2.gz UECGFLZZWAQRKO-ZACQAIPSSA-N 2 2 282.472 3.392 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1CCC[NH2+]CC1 ZINC001246847961 804558437 /nfs/dbraw/zinc/55/84/37/804558437.db2.gz UECGFLZZWAQRKO-ZACQAIPSSA-N 2 2 282.472 3.392 20 0 CGADLP Clc1cccc2c1CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246849461 804560261 /nfs/dbraw/zinc/56/02/61/804560261.db2.gz RMHHIYBKRZMPDI-FICVDOATSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1cccc2c1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246849461 804560265 /nfs/dbraw/zinc/56/02/65/804560265.db2.gz RMHHIYBKRZMPDI-FICVDOATSA-N 2 2 290.838 3.371 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001246864278 804567243 /nfs/dbraw/zinc/56/72/43/804567243.db2.gz SSWSETVLOKPJPC-ILXRZTDVSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001246864278 804567249 /nfs/dbraw/zinc/56/72/49/804567249.db2.gz SSWSETVLOKPJPC-ILXRZTDVSA-N 2 2 278.465 3.145 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CCCC[NH2+]C1 ZINC001246892402 804583727 /nfs/dbraw/zinc/58/37/27/804583727.db2.gz CCZATIPJDABZSA-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CCCC[NH2+]C1 ZINC001246892402 804583729 /nfs/dbraw/zinc/58/37/29/804583729.db2.gz CCZATIPJDABZSA-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246906250 804591412 /nfs/dbraw/zinc/59/14/12/804591412.db2.gz DIURLXURNFOVNN-DOTOQJQBSA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246906250 804591416 /nfs/dbraw/zinc/59/14/16/804591416.db2.gz DIURLXURNFOVNN-DOTOQJQBSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246912877 804596681 /nfs/dbraw/zinc/59/66/81/804596681.db2.gz QEUJQVPXSFTMQK-CJNGLKHVSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246912877 804596684 /nfs/dbraw/zinc/59/66/84/804596684.db2.gz QEUJQVPXSFTMQK-CJNGLKHVSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246939831 804610680 /nfs/dbraw/zinc/61/06/80/804610680.db2.gz SKYXLEDKAASGIO-FFSVYQOJSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246939831 804610682 /nfs/dbraw/zinc/61/06/82/804610682.db2.gz SKYXLEDKAASGIO-FFSVYQOJSA-N 2 2 278.827 3.009 20 0 CGADLP CC1CCC([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246951925 804616717 /nfs/dbraw/zinc/61/67/17/804616717.db2.gz HYOUGELRRUGTNW-VJFUWPCTSA-N 2 2 287.451 3.214 20 0 CGADLP CC1CCC([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246951925 804616720 /nfs/dbraw/zinc/61/67/20/804616720.db2.gz HYOUGELRRUGTNW-VJFUWPCTSA-N 2 2 287.451 3.214 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141232715 804617179 /nfs/dbraw/zinc/61/71/79/804617179.db2.gz KRPSCWXWAPBVEA-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956953 804618131 /nfs/dbraw/zinc/61/81/31/804618131.db2.gz BIVPJOFNBYPINK-RYQLBKOJSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956953 804618133 /nfs/dbraw/zinc/61/81/33/804618133.db2.gz BIVPJOFNBYPINK-RYQLBKOJSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959125 804618447 /nfs/dbraw/zinc/61/84/47/804618447.db2.gz FCYIEASGBFFJBD-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959125 804618448 /nfs/dbraw/zinc/61/84/48/804618448.db2.gz FCYIEASGBFFJBD-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP CC1CCC([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246962196 804619336 /nfs/dbraw/zinc/61/93/36/804619336.db2.gz LLOOVEQOLVBGHP-VJFUWPCTSA-N 2 2 287.451 3.214 20 0 CGADLP CC1CCC([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246962196 804619339 /nfs/dbraw/zinc/61/93/39/804619339.db2.gz LLOOVEQOLVBGHP-VJFUWPCTSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965975 804619743 /nfs/dbraw/zinc/61/97/43/804619743.db2.gz RBQNBQNIQXRJOL-RHSMWYFYSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965975 804619746 /nfs/dbraw/zinc/61/97/46/804619746.db2.gz RBQNBQNIQXRJOL-RHSMWYFYSA-N 2 2 258.409 3.182 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CCCC[NH2+]C2)c1C ZINC001246967068 804621381 /nfs/dbraw/zinc/62/13/81/804621381.db2.gz LUJZRAYAENUFBR-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCCC[NH2+]C2)c1C ZINC001246967068 804621385 /nfs/dbraw/zinc/62/13/85/804621385.db2.gz LUJZRAYAENUFBR-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cc(OC)c2)CC1 ZINC001143157858 804813225 /nfs/dbraw/zinc/81/32/25/804813225.db2.gz QXFNPLCAUWADII-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144187379 804950461 /nfs/dbraw/zinc/95/04/61/804950461.db2.gz FTWMOTIQXWHSMR-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCc1cccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001144323146 804973549 /nfs/dbraw/zinc/97/35/49/804973549.db2.gz QVXVPOLKUUNAQE-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CCc1cccc(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001144323146 804973552 /nfs/dbraw/zinc/97/35/52/804973552.db2.gz QVXVPOLKUUNAQE-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CSc1c[nH+]c(NC[C@@H]2CCC[NH2+]C[C@H]2C)c(C)c1 ZINC001155029191 805526377 /nfs/dbraw/zinc/52/63/77/805526377.db2.gz FBDCKVWGJSLLFS-OLZOCXBDSA-N 2 2 279.453 3.160 20 0 CGADLP c1[nH+]cn2cc(Nc3ccc[nH+]c3N3CCCCC3)ccc12 ZINC001250323999 805568177 /nfs/dbraw/zinc/56/81/77/805568177.db2.gz MPANZRXKEYPCBT-UHFFFAOYSA-N 2 2 293.374 3.463 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257106411 807055610 /nfs/dbraw/zinc/05/56/10/807055610.db2.gz PVRCJFVQQAYJEP-JLVBRIDZSA-N 2 2 294.483 3.281 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257106411 807055617 /nfs/dbraw/zinc/05/56/17/807055617.db2.gz PVRCJFVQQAYJEP-JLVBRIDZSA-N 2 2 294.483 3.281 20 0 CGADLP Cc1cccc2c(C)cc(N3CC[C@H]([NH3+])C(F)(F)C3)[nH+]c12 ZINC001166959730 807116938 /nfs/dbraw/zinc/11/69/38/807116938.db2.gz IZROJAGLRROAJA-ZDUSSCGKSA-N 2 2 291.345 3.024 20 0 CGADLP CCCC[C@@H](CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001257423640 807148279 /nfs/dbraw/zinc/14/82/79/807148279.db2.gz SXJGQAWPJLNMEZ-MRXNPFEDSA-N 2 2 290.455 3.184 20 0 CGADLP CCc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC001212694847 815105132 /nfs/dbraw/zinc/10/51/32/815105132.db2.gz ACFVNEVOMVGLSO-UHFFFAOYSA-N 2 2 278.359 3.054 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258067266 807286689 /nfs/dbraw/zinc/28/66/89/807286689.db2.gz YZZUNQDBAOYSBD-UONOGXRCSA-N 2 2 251.418 3.013 20 0 CGADLP C[C@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167985131 807290298 /nfs/dbraw/zinc/29/02/98/807290298.db2.gz VYWKCUFJWXWGDV-OZSLIKBDSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1F ZINC001167985131 807290303 /nfs/dbraw/zinc/29/03/03/807290303.db2.gz VYWKCUFJWXWGDV-OZSLIKBDSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1F ZINC001167985131 807290308 /nfs/dbraw/zinc/29/03/08/807290308.db2.gz VYWKCUFJWXWGDV-OZSLIKBDSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1F ZINC001167985131 807290314 /nfs/dbraw/zinc/29/03/14/807290314.db2.gz VYWKCUFJWXWGDV-OZSLIKBDSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140964 807320699 /nfs/dbraw/zinc/32/06/99/807320699.db2.gz PVXRKWAGERNFTO-WBVHZDCISA-N 2 2 290.426 3.126 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140964 807320708 /nfs/dbraw/zinc/32/07/08/807320708.db2.gz PVXRKWAGERNFTO-WBVHZDCISA-N 2 2 290.426 3.126 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@@H](C)C1 ZINC001258157071 807326033 /nfs/dbraw/zinc/32/60/33/807326033.db2.gz YURZMHPHEJDUIM-HDEZJCGLSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@@H](C)C1 ZINC001258157071 807326042 /nfs/dbraw/zinc/32/60/42/807326042.db2.gz YURZMHPHEJDUIM-HDEZJCGLSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001168168230 807332105 /nfs/dbraw/zinc/33/21/05/807332105.db2.gz RQHBCOFPIUNWNO-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001168168230 807332113 /nfs/dbraw/zinc/33/21/13/807332113.db2.gz RQHBCOFPIUNWNO-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP CSCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258208739 807365559 /nfs/dbraw/zinc/36/55/59/807365559.db2.gz HSPANUDPYUEWQT-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CSCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258208739 807365562 /nfs/dbraw/zinc/36/55/62/807365562.db2.gz HSPANUDPYUEWQT-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258279582 807391091 /nfs/dbraw/zinc/39/10/91/807391091.db2.gz KIFBRIWVHSJWFX-CVEARBPZSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258279582 807391097 /nfs/dbraw/zinc/39/10/97/807391097.db2.gz KIFBRIWVHSJWFX-CVEARBPZSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H]1CCCC(C)(C)C1)CC[NH2+]CC2 ZINC001258285087 807395388 /nfs/dbraw/zinc/39/53/88/807395388.db2.gz JWHXNNDJYFBZJL-CYBMUJFWSA-N 2 2 261.413 3.021 20 0 CGADLP Fc1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389106 807400799 /nfs/dbraw/zinc/40/07/99/807400799.db2.gz KEYUBIFSAINPSN-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP Fc1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168389106 807400802 /nfs/dbraw/zinc/40/08/02/807400802.db2.gz KEYUBIFSAINPSN-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001168421921 807410331 /nfs/dbraw/zinc/41/03/31/807410331.db2.gz UETLMICOWPDJJG-QGZVFWFLSA-N 2 2 295.361 3.121 20 0 CGADLP C[C@H](CC1CC1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258460367 807464428 /nfs/dbraw/zinc/46/44/28/807464428.db2.gz CEWWNOMMJKPYBW-CYBMUJFWSA-N 2 2 260.381 3.113 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)CC2CC2)C1 ZINC001258469420 807468715 /nfs/dbraw/zinc/46/87/15/807468715.db2.gz BZIOALKAJSMEGA-HIFRSBDPSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 ZINC001258469420 807468717 /nfs/dbraw/zinc/46/87/17/807468717.db2.gz BZIOALKAJSMEGA-HIFRSBDPSA-N 2 2 260.381 3.032 20 0 CGADLP CCCC1CCC([N@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001258532992 807489055 /nfs/dbraw/zinc/48/90/55/807489055.db2.gz PDPQNAHRGUQDBP-UHFFFAOYSA-N 2 2 296.499 3.388 20 0 CGADLP CCCC1CCC([N@@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001258532992 807489060 /nfs/dbraw/zinc/48/90/60/807489060.db2.gz PDPQNAHRGUQDBP-UHFFFAOYSA-N 2 2 296.499 3.388 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+]([C@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705921 807559808 /nfs/dbraw/zinc/55/98/08/807559808.db2.gz ZRWQGPHDVSIJKL-IXDOHACOSA-N 2 2 296.499 3.244 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+]([C@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705921 807559814 /nfs/dbraw/zinc/55/98/14/807559814.db2.gz ZRWQGPHDVSIJKL-IXDOHACOSA-N 2 2 296.499 3.244 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001169079078 807567839 /nfs/dbraw/zinc/56/78/39/807567839.db2.gz IQUHQOIMXMFWBX-BTTYYORXSA-N 2 2 264.800 3.055 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC001169079078 807567842 /nfs/dbraw/zinc/56/78/42/807567842.db2.gz IQUHQOIMXMFWBX-BTTYYORXSA-N 2 2 264.800 3.055 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125255 807584853 /nfs/dbraw/zinc/58/48/53/807584853.db2.gz XJLYGLCHNGFQOG-SYQHCUMBSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125255 807584856 /nfs/dbraw/zinc/58/48/56/807584856.db2.gz XJLYGLCHNGFQOG-SYQHCUMBSA-N 2 2 292.398 3.110 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001258775374 807606389 /nfs/dbraw/zinc/60/63/89/807606389.db2.gz MOWAZLNORQNDAB-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP CCC[NH+]1CCC([N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001258775374 807606392 /nfs/dbraw/zinc/60/63/92/807606392.db2.gz MOWAZLNORQNDAB-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCC[C@H](C)C2)c1CSCC[NH3+] ZINC001258809677 807629102 /nfs/dbraw/zinc/62/91/02/807629102.db2.gz ZULGCHIYOXGQTF-WCQYABFASA-N 2 2 267.442 3.135 20 0 CGADLP C[C@H]1CCC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258831063 807646645 /nfs/dbraw/zinc/64/66/45/807646645.db2.gz YSPVZCSWXVSCPN-ZFWWWQNUSA-N 2 2 291.414 3.358 20 0 CGADLP CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001169496622 807653179 /nfs/dbraw/zinc/65/31/79/807653179.db2.gz UPYXSVNWBQLNMN-HOCLYGCPSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001169496622 807653183 /nfs/dbraw/zinc/65/31/83/807653183.db2.gz UPYXSVNWBQLNMN-HOCLYGCPSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258842935 807654052 /nfs/dbraw/zinc/65/40/52/807654052.db2.gz VHYLFTGBHXCCNX-SJORKVTESA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258842935 807654058 /nfs/dbraw/zinc/65/40/58/807654058.db2.gz VHYLFTGBHXCCNX-SJORKVTESA-N 2 2 272.436 3.224 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001258899526 807669208 /nfs/dbraw/zinc/66/92/08/807669208.db2.gz AXRUPCPJGYUKPE-QZTJIDSGSA-N 3 2 297.531 3.207 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137964 807772174 /nfs/dbraw/zinc/77/21/74/807772174.db2.gz QJVDUJQRZHFTQC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137964 807772179 /nfs/dbraw/zinc/77/21/79/807772179.db2.gz QJVDUJQRZHFTQC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137964 807772183 /nfs/dbraw/zinc/77/21/83/807772183.db2.gz QJVDUJQRZHFTQC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137964 807772186 /nfs/dbraw/zinc/77/21/86/807772186.db2.gz QJVDUJQRZHFTQC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001170265776 807809474 /nfs/dbraw/zinc/80/94/74/807809474.db2.gz JOBNMXSPLYGHGO-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001170265776 807809482 /nfs/dbraw/zinc/80/94/82/807809482.db2.gz JOBNMXSPLYGHGO-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H]([NH3+])CCNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001170891021 807927139 /nfs/dbraw/zinc/92/71/39/807927139.db2.gz SQLOEZFLHFOQSW-GFCCVEGCSA-N 2 2 280.375 3.379 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171091627 807981206 /nfs/dbraw/zinc/98/12/06/807981206.db2.gz RESIRWSYJZPRJF-MRXNPFEDSA-N 2 2 280.843 3.129 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171091145 807981867 /nfs/dbraw/zinc/98/18/67/807981867.db2.gz NCDSBTDNZOCKHN-INIZCTEOSA-N 2 2 289.810 3.074 20 0 CGADLP c1ccc(COc2cc(NC[C@H]3CCCC[NH2+]3)cc[nH+]2)cc1 ZINC001171329377 808027689 /nfs/dbraw/zinc/02/76/89/808027689.db2.gz JBIWKNQUBLWHEJ-QGZVFWFLSA-N 2 2 297.402 3.215 20 0 CGADLP C[C@@H]1CCCCN1c1cccc(NC[C@H]2CCCC[NH2+]2)[nH+]1 ZINC001171331143 808027848 /nfs/dbraw/zinc/02/78/48/808027848.db2.gz ZMZMEABXDPOWOT-HUUCEWRRSA-N 2 2 288.439 3.014 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001171559498 808095170 /nfs/dbraw/zinc/09/51/70/808095170.db2.gz HCBHFBQNQBVBQM-MSOLQXFVSA-N 2 2 286.463 3.172 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001171559498 808095176 /nfs/dbraw/zinc/09/51/76/808095176.db2.gz HCBHFBQNQBVBQM-MSOLQXFVSA-N 2 2 286.463 3.172 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642274 808111573 /nfs/dbraw/zinc/11/15/73/808111573.db2.gz IJDSCENGXSOCDM-HNNXBMFYSA-N 2 2 280.456 3.081 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642274 808111575 /nfs/dbraw/zinc/11/15/75/808111575.db2.gz IJDSCENGXSOCDM-HNNXBMFYSA-N 2 2 280.456 3.081 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172335478 808237831 /nfs/dbraw/zinc/23/78/31/808237831.db2.gz JYDOLUHYXPGSRY-JYJNAYRXSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172335478 808237832 /nfs/dbraw/zinc/23/78/32/808237832.db2.gz JYDOLUHYXPGSRY-JYJNAYRXSA-N 2 2 284.488 3.290 20 0 CGADLP CCOCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172411641 808298119 /nfs/dbraw/zinc/29/81/19/808298119.db2.gz QOSJUNMIMXUXJR-SJLPKXTDSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@H]1CC[C@H](C2CCC([NH2+]C3(C[NH3+])COC3)CC2)CC1 ZINC001172585692 808396270 /nfs/dbraw/zinc/39/62/70/808396270.db2.gz FOFDKQNFJBOPST-OJHJNGDYSA-N 2 2 294.483 3.079 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC001172838453 808453559 /nfs/dbraw/zinc/45/35/59/808453559.db2.gz LAOCWQUZVXGISN-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001172868853 808468939 /nfs/dbraw/zinc/46/89/39/808468939.db2.gz AEKOUPXJRWAPOX-LBPRGKRZSA-N 2 2 295.839 3.307 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001173242900 808550907 /nfs/dbraw/zinc/55/09/07/808550907.db2.gz YIHOSQZZXCXMNU-LPHOPBHVSA-N 2 2 288.479 3.500 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001173242900 808550915 /nfs/dbraw/zinc/55/09/15/808550915.db2.gz YIHOSQZZXCXMNU-LPHOPBHVSA-N 2 2 288.479 3.500 20 0 CGADLP CN(C)c1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc[nH+]1 ZINC001213087312 815230057 /nfs/dbraw/zinc/23/00/57/815230057.db2.gz OKDQJCUUJFHIGV-UHFFFAOYSA-N 2 2 279.347 3.281 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(C)(C)C)c[nH]1 ZINC001276881675 809039278 /nfs/dbraw/zinc/03/92/78/809039278.db2.gz BDXVCQQHTZKXBG-VHRNVKJDSA-N 2 2 275.440 3.027 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)c[nH]1 ZINC001276881675 809039287 /nfs/dbraw/zinc/03/92/87/809039287.db2.gz BDXVCQQHTZKXBG-VHRNVKJDSA-N 2 2 275.440 3.027 20 0 CGADLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001277799464 809096404 /nfs/dbraw/zinc/09/64/04/809096404.db2.gz SXUMSHJPIGVNHZ-MRXNPFEDSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001277799464 809096409 /nfs/dbraw/zinc/09/64/09/809096409.db2.gz SXUMSHJPIGVNHZ-MRXNPFEDSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001277799464 809096414 /nfs/dbraw/zinc/09/64/14/809096414.db2.gz SXUMSHJPIGVNHZ-MRXNPFEDSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001277799464 809096417 /nfs/dbraw/zinc/09/64/17/809096417.db2.gz SXUMSHJPIGVNHZ-MRXNPFEDSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(C)[nH+]1 ZINC001176052277 809608585 /nfs/dbraw/zinc/60/85/85/809608585.db2.gz PYFBYJFUKYMCAE-UHFFFAOYSA-N 2 2 282.391 3.249 20 0 CGADLP Cc1ccc2c(Nc3cnn(CC[NH+](C)C)c3)cccc2[nH+]1 ZINC001176449948 809700019 /nfs/dbraw/zinc/70/00/19/809700019.db2.gz XKRALTAMMGTTOB-UHFFFAOYSA-N 2 2 295.390 3.045 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001177784210 809821389 /nfs/dbraw/zinc/82/13/89/809821389.db2.gz LARPDJDUPCXJBH-GOSISDBHSA-N 2 2 274.452 3.256 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001177784210 809821395 /nfs/dbraw/zinc/82/13/95/809821395.db2.gz LARPDJDUPCXJBH-GOSISDBHSA-N 2 2 274.452 3.256 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001179139515 809906270 /nfs/dbraw/zinc/90/62/70/809906270.db2.gz JLKUIKVRALTYMT-XHSDSOJGSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001179139515 809906272 /nfs/dbraw/zinc/90/62/72/809906272.db2.gz JLKUIKVRALTYMT-XHSDSOJGSA-N 2 2 264.457 3.441 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC001182874633 810128448 /nfs/dbraw/zinc/12/84/48/810128448.db2.gz SWDHBICLDLBYRJ-FHERZECASA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001182864622 810128487 /nfs/dbraw/zinc/12/84/87/810128487.db2.gz JWNNCKJWSUTVGC-SOUVJXGZSA-N 2 2 296.499 3.431 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001182864622 810128491 /nfs/dbraw/zinc/12/84/91/810128491.db2.gz JWNNCKJWSUTVGC-SOUVJXGZSA-N 2 2 296.499 3.431 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC001184206980 810182751 /nfs/dbraw/zinc/18/27/51/810182751.db2.gz PJNWIUJVQAYDPE-RRFJBIMHSA-N 2 2 272.502 3.082 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@@H+]3CC[C@@H](C)C3)cccc12 ZINC001200751598 811739726 /nfs/dbraw/zinc/73/97/26/811739726.db2.gz OXOSRWAELCNSRY-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP COc1cccc2c(C[NH2+]CC[N@H+]3CC[C@@H](C)C3)cccc12 ZINC001200751598 811739733 /nfs/dbraw/zinc/73/97/33/811739733.db2.gz OXOSRWAELCNSRY-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001200751404 811739815 /nfs/dbraw/zinc/73/98/15/811739815.db2.gz OOESOIPPIDESPY-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001200751404 811739819 /nfs/dbraw/zinc/73/98/19/811739819.db2.gz OOESOIPPIDESPY-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP C[NH+]1CCC(c2ccc(Nc3ccc(N)[nH+]c3)cc2)CC1 ZINC001201284239 811806219 /nfs/dbraw/zinc/80/62/19/811806219.db2.gz ORMJCZMEQGNEPB-UHFFFAOYSA-N 2 2 282.391 3.217 20 0 CGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)nc1 ZINC001201388951 811823910 /nfs/dbraw/zinc/82/39/10/811823910.db2.gz GDTPWZRNSPBKLT-ROUUACIJSA-N 2 2 299.462 3.026 20 0 CGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC(C)(C)C)[C@H]2C ZINC001201436529 811845543 /nfs/dbraw/zinc/84/55/43/811845543.db2.gz ZLDVMCLCCWLFJH-AWEZNQCLSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC(C)(C)C)[C@H]2C ZINC001201436529 811845548 /nfs/dbraw/zinc/84/55/48/811845548.db2.gz ZLDVMCLCCWLFJH-AWEZNQCLSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC(C)(C)C)[C@H]2C ZINC001201436529 811845554 /nfs/dbraw/zinc/84/55/54/811845554.db2.gz ZLDVMCLCCWLFJH-AWEZNQCLSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC(C)(C)C)[C@H]2C ZINC001201436529 811845561 /nfs/dbraw/zinc/84/55/61/811845561.db2.gz ZLDVMCLCCWLFJH-AWEZNQCLSA-N 2 2 292.471 3.146 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001201486745 811860887 /nfs/dbraw/zinc/86/08/87/811860887.db2.gz PYUBRJXVPAKQRN-AWEZNQCLSA-N 2 2 261.413 3.390 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001201486745 811860889 /nfs/dbraw/zinc/86/08/89/811860889.db2.gz PYUBRJXVPAKQRN-AWEZNQCLSA-N 2 2 261.413 3.390 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201567964 811908475 /nfs/dbraw/zinc/90/84/75/811908475.db2.gz MIODVJVSAPBARJ-ARFHVFGLSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201567964 811908476 /nfs/dbraw/zinc/90/84/76/811908476.db2.gz MIODVJVSAPBARJ-ARFHVFGLSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201567964 811908477 /nfs/dbraw/zinc/90/84/77/811908477.db2.gz MIODVJVSAPBARJ-ARFHVFGLSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201567964 811908478 /nfs/dbraw/zinc/90/84/78/811908478.db2.gz MIODVJVSAPBARJ-ARFHVFGLSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)[N@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201610062 811919496 /nfs/dbraw/zinc/91/94/96/811919496.db2.gz NHTHKQFOXNLKLY-UHFFFAOYSA-N 2 2 260.425 3.034 20 0 CGADLP CC(C)[N@@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201610062 811919499 /nfs/dbraw/zinc/91/94/99/811919499.db2.gz NHTHKQFOXNLKLY-UHFFFAOYSA-N 2 2 260.425 3.034 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217409 819381607 /nfs/dbraw/zinc/38/16/07/819381607.db2.gz OYUYVVWDJPOQNA-VXGBXAGGSA-N 2 2 258.818 3.103 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217409 819381615 /nfs/dbraw/zinc/38/16/15/819381615.db2.gz OYUYVVWDJPOQNA-VXGBXAGGSA-N 2 2 258.818 3.103 20 0 CGADLP FC(F)(F)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001202368239 812077637 /nfs/dbraw/zinc/07/76/37/812077637.db2.gz JTPOWAJKIAZVDC-UHFFFAOYSA-N 2 2 278.362 3.279 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001202444916 812095045 /nfs/dbraw/zinc/09/50/45/812095045.db2.gz ORBYJBXPHBTQKY-GFCCVEGCSA-N 2 2 288.313 3.186 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCC(F)(F)F)C1 ZINC001202444916 812095052 /nfs/dbraw/zinc/09/50/52/812095052.db2.gz ORBYJBXPHBTQKY-GFCCVEGCSA-N 2 2 288.313 3.186 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203318894 812310393 /nfs/dbraw/zinc/31/03/93/812310393.db2.gz LEKMCTDLZDZLLW-MRXNPFEDSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203318894 812310403 /nfs/dbraw/zinc/31/04/03/812310403.db2.gz LEKMCTDLZDZLLW-MRXNPFEDSA-N 2 2 268.360 3.043 20 0 CGADLP [NH3+][C@H]1NC(C[NH+](C2CCCCC2)C2CCCCC2)=CS1 ZINC001204611148 812690421 /nfs/dbraw/zinc/69/04/21/812690421.db2.gz AUZPDQXGXGFKIU-INIZCTEOSA-N 2 2 295.496 3.374 20 0 CGADLP [NH3+][C@@H]1NC(C[NH+](C2CCCCC2)C2CCCCC2)=CS1 ZINC001204611149 812690477 /nfs/dbraw/zinc/69/04/77/812690477.db2.gz AUZPDQXGXGFKIU-MRXNPFEDSA-N 2 2 295.496 3.374 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+](C)CC[NH3+] ZINC001204698611 812711458 /nfs/dbraw/zinc/71/14/58/812711458.db2.gz AVNAYCBTMBZMAD-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+](C)CC[NH3+] ZINC001204698611 812711464 /nfs/dbraw/zinc/71/14/64/812711464.db2.gz AVNAYCBTMBZMAD-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001204925630 812777785 /nfs/dbraw/zinc/77/77/85/812777785.db2.gz YHUPKHSNCPGFCY-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001204925630 812777790 /nfs/dbraw/zinc/77/77/90/812777790.db2.gz YHUPKHSNCPGFCY-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2scc(C)c2Cl)C1 ZINC001205009376 812823887 /nfs/dbraw/zinc/82/38/87/812823887.db2.gz PSZGGHLPIOMMIV-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2scc(C)c2Cl)C1 ZINC001205009376 812823898 /nfs/dbraw/zinc/82/38/98/812823898.db2.gz PSZGGHLPIOMMIV-LLVKDONJSA-N 2 2 272.845 3.141 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205101456 812865819 /nfs/dbraw/zinc/86/58/19/812865819.db2.gz FSLDBWHRSQZFJQ-ZDUSSCGKSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205101456 812865828 /nfs/dbraw/zinc/86/58/28/812865828.db2.gz FSLDBWHRSQZFJQ-ZDUSSCGKSA-N 2 2 297.240 3.071 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Cl)n1 ZINC001205124273 812876890 /nfs/dbraw/zinc/87/68/90/812876890.db2.gz NACNMXAPULGALI-ZDUSSCGKSA-N 2 2 281.831 3.172 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Cl)n1 ZINC001205124273 812876893 /nfs/dbraw/zinc/87/68/93/812876893.db2.gz NACNMXAPULGALI-ZDUSSCGKSA-N 2 2 281.831 3.172 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205124716 812878033 /nfs/dbraw/zinc/87/80/33/812878033.db2.gz YOTKHFNTKVRVIQ-LLVKDONJSA-N 2 2 295.839 3.263 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205124716 812878036 /nfs/dbraw/zinc/87/80/36/812878036.db2.gz YOTKHFNTKVRVIQ-LLVKDONJSA-N 2 2 295.839 3.263 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(C)c1)C1CC[NH+](C)CC1 ZINC001205187207 812903310 /nfs/dbraw/zinc/90/33/10/812903310.db2.gz SMRMGVZXNYHTTI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(C)c1)C1CC[NH+](C)CC1 ZINC001205187207 812903314 /nfs/dbraw/zinc/90/33/14/812903314.db2.gz SMRMGVZXNYHTTI-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306631 812943198 /nfs/dbraw/zinc/94/31/98/812943198.db2.gz YNLZGIDLQHUWKT-CMPLNLGQSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205306631 812943202 /nfs/dbraw/zinc/94/32/02/812943202.db2.gz YNLZGIDLQHUWKT-CMPLNLGQSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315318 812948397 /nfs/dbraw/zinc/94/83/97/812948397.db2.gz DUOVYUVSZPYIEW-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)cc1Cl ZINC001205315318 812948401 /nfs/dbraw/zinc/94/84/01/812948401.db2.gz DUOVYUVSZPYIEW-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205324439 812954498 /nfs/dbraw/zinc/95/44/98/812954498.db2.gz BLTNEYQFABSMFH-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001205324439 812954500 /nfs/dbraw/zinc/95/45/00/812954500.db2.gz BLTNEYQFABSMFH-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205325627 812955893 /nfs/dbraw/zinc/95/58/93/812955893.db2.gz QAXNLCLBMMEIJY-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205325627 812955898 /nfs/dbraw/zinc/95/58/98/812955898.db2.gz QAXNLCLBMMEIJY-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CCC1 ZINC001205434914 812983185 /nfs/dbraw/zinc/98/31/85/812983185.db2.gz UALQDHKFMKFLRV-CABCVRRESA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650340 813039786 /nfs/dbraw/zinc/03/97/86/813039786.db2.gz KEKNSOXYYWGVLA-KGLIPLIRSA-N 2 2 254.462 3.379 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650340 813039794 /nfs/dbraw/zinc/03/97/94/813039794.db2.gz KEKNSOXYYWGVLA-KGLIPLIRSA-N 2 2 254.462 3.379 20 0 CGADLP CC[C@H]1CCCC[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001205695982 813053032 /nfs/dbraw/zinc/05/30/32/813053032.db2.gz CZJDCRRDHFLUPA-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001205695982 813053040 /nfs/dbraw/zinc/05/30/40/813053040.db2.gz CZJDCRRDHFLUPA-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806945 813089054 /nfs/dbraw/zinc/08/90/54/813089054.db2.gz WSTBSRBSSDQTPC-HOCLYGCPSA-N 2 2 298.430 3.408 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806945 813089063 /nfs/dbraw/zinc/08/90/63/813089063.db2.gz WSTBSRBSSDQTPC-HOCLYGCPSA-N 2 2 298.430 3.408 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205816226 813092204 /nfs/dbraw/zinc/09/22/04/813092204.db2.gz KQYUYZAFSSROLU-FZMZJTMJSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205816226 813092213 /nfs/dbraw/zinc/09/22/13/813092213.db2.gz KQYUYZAFSSROLU-FZMZJTMJSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205817006 813094001 /nfs/dbraw/zinc/09/40/01/813094001.db2.gz PNNXMPDENJUBNJ-BBRMVZONSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205817006 813094002 /nfs/dbraw/zinc/09/40/02/813094002.db2.gz PNNXMPDENJUBNJ-BBRMVZONSA-N 2 2 271.408 3.036 20 0 CGADLP CCc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(CC)c1O ZINC001205826570 813097995 /nfs/dbraw/zinc/09/79/95/813097995.db2.gz AIOVFCJDINFWIL-CXAGYDPISA-N 2 2 290.451 3.076 20 0 CGADLP CCc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(CC)c1O ZINC001205826570 813098002 /nfs/dbraw/zinc/09/80/02/813098002.db2.gz AIOVFCJDINFWIL-CXAGYDPISA-N 2 2 290.451 3.076 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856573 813109542 /nfs/dbraw/zinc/10/95/42/813109542.db2.gz WWWZHTPCHCYEOB-WMLDXEAASA-N 2 2 260.425 3.369 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205856573 813109546 /nfs/dbraw/zinc/10/95/46/813109546.db2.gz WWWZHTPCHCYEOB-WMLDXEAASA-N 2 2 260.425 3.369 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001205902705 813124078 /nfs/dbraw/zinc/12/40/78/813124078.db2.gz LAJVQESFZPVIIE-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001205902705 813124082 /nfs/dbraw/zinc/12/40/82/813124082.db2.gz LAJVQESFZPVIIE-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205902059 813125141 /nfs/dbraw/zinc/12/51/41/813125141.db2.gz HCNWNQHDAWHFOE-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205902059 813125144 /nfs/dbraw/zinc/12/51/44/813125144.db2.gz HCNWNQHDAWHFOE-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205939959 813141427 /nfs/dbraw/zinc/14/14/27/813141427.db2.gz XNYJQDKYONHHFU-AWEZNQCLSA-N 2 2 287.382 3.134 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205939959 813141431 /nfs/dbraw/zinc/14/14/31/813141431.db2.gz XNYJQDKYONHHFU-AWEZNQCLSA-N 2 2 287.382 3.134 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938710 813141839 /nfs/dbraw/zinc/14/18/39/813141839.db2.gz KAWUNIIYZHLRND-HNNXBMFYSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938710 813141842 /nfs/dbraw/zinc/14/18/42/813141842.db2.gz KAWUNIIYZHLRND-HNNXBMFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206070832 813190774 /nfs/dbraw/zinc/19/07/74/813190774.db2.gz URJQNFOZDJICHU-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206070832 813190778 /nfs/dbraw/zinc/19/07/78/813190778.db2.gz URJQNFOZDJICHU-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206335232 813292396 /nfs/dbraw/zinc/29/23/96/813292396.db2.gz CWLBHBWQRXEJQU-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206335232 813292397 /nfs/dbraw/zinc/29/23/97/813292397.db2.gz CWLBHBWQRXEJQU-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccnc2C)CC1 ZINC001207154103 813499705 /nfs/dbraw/zinc/49/97/05/813499705.db2.gz LYJJVOTXXRSORL-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccnc2C)CC1 ZINC001207154103 813499708 /nfs/dbraw/zinc/49/97/08/813499708.db2.gz LYJJVOTXXRSORL-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP COCC[N@H+](CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207608042 813611010 /nfs/dbraw/zinc/61/10/10/813611010.db2.gz MGSKNMSUPNLBSM-UHFFFAOYSA-N 2 2 296.499 3.390 20 0 CGADLP COCC[N@@H+](CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC001207608042 813611016 /nfs/dbraw/zinc/61/10/16/813611016.db2.gz MGSKNMSUPNLBSM-UHFFFAOYSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764134 813648234 /nfs/dbraw/zinc/64/82/34/813648234.db2.gz YZIFRAGTFRJWAO-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP CCC[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764134 813648240 /nfs/dbraw/zinc/64/82/40/813648240.db2.gz YZIFRAGTFRJWAO-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777545 /nfs/dbraw/zinc/77/75/45/813777545.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777548 /nfs/dbraw/zinc/77/75/48/813777548.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777553 /nfs/dbraw/zinc/77/75/53/813777553.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777558 /nfs/dbraw/zinc/77/75/58/813777558.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP F[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935455 813904900 /nfs/dbraw/zinc/90/49/00/813904900.db2.gz JLLCAGDIZYULDL-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935455 813904903 /nfs/dbraw/zinc/90/49/03/813904903.db2.gz JLLCAGDIZYULDL-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208935455 813904908 /nfs/dbraw/zinc/90/49/08/813904908.db2.gz JLLCAGDIZYULDL-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208935455 813904912 /nfs/dbraw/zinc/90/49/12/813904912.db2.gz JLLCAGDIZYULDL-ROUUACIJSA-N 2 2 290.426 3.333 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001209228891 813977012 /nfs/dbraw/zinc/97/70/12/813977012.db2.gz QPHJRLLZEGZQFD-AWEZNQCLSA-N 2 2 288.416 3.147 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001209228891 813977017 /nfs/dbraw/zinc/97/70/17/813977017.db2.gz QPHJRLLZEGZQFD-AWEZNQCLSA-N 2 2 288.416 3.147 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001209733684 814125526 /nfs/dbraw/zinc/12/55/26/814125526.db2.gz ROVSIPAAANDPCW-QGZVFWFLSA-N 2 2 295.430 3.339 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001209733684 814125532 /nfs/dbraw/zinc/12/55/32/814125532.db2.gz ROVSIPAAANDPCW-QGZVFWFLSA-N 2 2 295.430 3.339 20 0 CGADLP Cc1cc(N)[nH+]cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001209966576 814217920 /nfs/dbraw/zinc/21/79/20/814217920.db2.gz GLUBOIOOLKTGSY-UHFFFAOYSA-N 2 2 273.727 3.017 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3s2)CC[NH2+]1 ZINC001210476285 814479635 /nfs/dbraw/zinc/47/96/35/814479635.db2.gz UGGYUUCHAOMACB-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)CC[NH2+]1 ZINC001210476285 814479637 /nfs/dbraw/zinc/47/96/37/814479637.db2.gz UGGYUUCHAOMACB-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP CCOc1cc(Nc2cccc(C[NH2+]C)c2)cc(C)[nH+]1 ZINC001211138003 814837061 /nfs/dbraw/zinc/83/70/61/814837061.db2.gz XBGLZWAYBHTWHZ-UHFFFAOYSA-N 2 2 271.364 3.252 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2c[nH+]cn2C)c(C)c1 ZINC001211250715 814860781 /nfs/dbraw/zinc/86/07/81/814860781.db2.gz NRGYVTMPRFJKND-UHFFFAOYSA-N 2 2 258.369 3.318 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1Nc1c[nH+]c2ccccn12 ZINC001216549708 815854949 /nfs/dbraw/zinc/85/49/49/815854949.db2.gz QDRCMJIMOSYCBT-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP CSc1cncc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242949818 823185189 /nfs/dbraw/zinc/18/51/89/823185189.db2.gz WVZBKDQPDFCYGD-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242949818 823185194 /nfs/dbraw/zinc/18/51/94/823185194.db2.gz WVZBKDQPDFCYGD-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242949817 823185355 /nfs/dbraw/zinc/18/53/55/823185355.db2.gz WVZBKDQPDFCYGD-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242949817 823185356 /nfs/dbraw/zinc/18/53/56/823185356.db2.gz WVZBKDQPDFCYGD-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191015 816370239 /nfs/dbraw/zinc/37/02/39/816370239.db2.gz HUOBZUWNNLXLBC-INIZCTEOSA-N 2 2 250.430 3.175 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222191015 816370248 /nfs/dbraw/zinc/37/02/48/816370248.db2.gz HUOBZUWNNLXLBC-INIZCTEOSA-N 2 2 250.430 3.175 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259615 816389061 /nfs/dbraw/zinc/38/90/61/816389061.db2.gz UYHKVPONIQJPAR-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259615 816389069 /nfs/dbraw/zinc/38/90/69/816389069.db2.gz UYHKVPONIQJPAR-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222355973 816417979 /nfs/dbraw/zinc/41/79/79/816417979.db2.gz UXUKFYGIOYEMEJ-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222355973 816417986 /nfs/dbraw/zinc/41/79/86/816417986.db2.gz UXUKFYGIOYEMEJ-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2o1 ZINC001222361196 816419333 /nfs/dbraw/zinc/41/93/33/816419333.db2.gz WVCWWDRDZCWZAF-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2o1 ZINC001222361196 816419334 /nfs/dbraw/zinc/41/93/34/816419334.db2.gz WVCWWDRDZCWZAF-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222427095 816442116 /nfs/dbraw/zinc/44/21/16/816442116.db2.gz LSUIIYNMWCZQMQ-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222427095 816442121 /nfs/dbraw/zinc/44/21/21/816442121.db2.gz LSUIIYNMWCZQMQ-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)cc1C ZINC001231486404 818111015 /nfs/dbraw/zinc/11/10/15/818111015.db2.gz YCEGQMSMQXCXJJ-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)cc1C ZINC001231486404 818111019 /nfs/dbraw/zinc/11/10/19/818111019.db2.gz YCEGQMSMQXCXJJ-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC[N@H+](Cc1c(C)cccc1F)C1CC[NH+](C)CC1 ZINC001232484513 818368733 /nfs/dbraw/zinc/36/87/33/818368733.db2.gz HXAURHFKRUFGOT-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1c(C)cccc1F)C1CC[NH+](C)CC1 ZINC001232484513 818368735 /nfs/dbraw/zinc/36/87/35/818368735.db2.gz HXAURHFKRUFGOT-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC(C)[N@H+](Cc1nc2ccccc2o1)C1CC[NH+](C)CC1 ZINC001232559810 818385871 /nfs/dbraw/zinc/38/58/71/818385871.db2.gz GHCNFTKGQJNBJF-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)[N@@H+](Cc1nc2ccccc2o1)C1CC[NH+](C)CC1 ZINC001232559810 818385878 /nfs/dbraw/zinc/38/58/78/818385878.db2.gz GHCNFTKGQJNBJF-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(C)[nH+]1 ZINC001234600916 818890198 /nfs/dbraw/zinc/89/01/98/818890198.db2.gz IJWMNAOAQLKJMQ-UHFFFAOYSA-N 2 2 269.339 3.038 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997318 818971717 /nfs/dbraw/zinc/97/17/17/818971717.db2.gz AUUMGENLRBQMPN-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997318 818971721 /nfs/dbraw/zinc/97/17/21/818971721.db2.gz AUUMGENLRBQMPN-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1csc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC001234994711 818972973 /nfs/dbraw/zinc/97/29/73/818972973.db2.gz VVEHPGDKBZWXHV-AWEZNQCLSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1csc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC001234994711 818972976 /nfs/dbraw/zinc/97/29/76/818972976.db2.gz VVEHPGDKBZWXHV-AWEZNQCLSA-N 2 2 284.856 3.285 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004595 818977234 /nfs/dbraw/zinc/97/72/34/818977234.db2.gz SRBVTDJARNVBDE-SNRMKQJTSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004595 818977236 /nfs/dbraw/zinc/97/72/36/818977236.db2.gz SRBVTDJARNVBDE-SNRMKQJTSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)c2)cc1 ZINC001235150880 819016850 /nfs/dbraw/zinc/01/68/50/819016850.db2.gz AXBBKQSEWLSISY-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)c2)cc1 ZINC001235150880 819016855 /nfs/dbraw/zinc/01/68/55/819016855.db2.gz AXBBKQSEWLSISY-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235833 819042709 /nfs/dbraw/zinc/04/27/09/819042709.db2.gz SRBVTDJARNVBDE-LZQZEXGQSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235833 819042716 /nfs/dbraw/zinc/04/27/16/819042716.db2.gz SRBVTDJARNVBDE-LZQZEXGQSA-N 2 2 286.463 3.425 20 0 CGADLP c1ccc(C(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c2ccccc2)cc1 ZINC001235236206 819043278 /nfs/dbraw/zinc/04/32/78/819043278.db2.gz VGFDYADXBMUUDS-UXHICEINSA-N 2 2 292.426 3.255 20 0 CGADLP c1ccc(C(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c2ccccc2)cc1 ZINC001235236206 819043283 /nfs/dbraw/zinc/04/32/83/819043283.db2.gz VGFDYADXBMUUDS-UXHICEINSA-N 2 2 292.426 3.255 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001235246244 819045772 /nfs/dbraw/zinc/04/57/72/819045772.db2.gz WCLWVPMFWSRHBI-RTBURBONSA-N 2 2 293.414 3.062 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001235246244 819045775 /nfs/dbraw/zinc/04/57/75/819045775.db2.gz WCLWVPMFWSRHBI-RTBURBONSA-N 2 2 293.414 3.062 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235254441 819052361 /nfs/dbraw/zinc/05/23/61/819052361.db2.gz IYAKWVONRNIHBA-IUODEOHRSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235254441 819052364 /nfs/dbraw/zinc/05/23/64/819052364.db2.gz IYAKWVONRNIHBA-IUODEOHRSA-N 2 2 299.245 3.220 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235361366 819077703 /nfs/dbraw/zinc/07/77/03/819077703.db2.gz FOAMKTQZHFJBHG-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001235361366 819077706 /nfs/dbraw/zinc/07/77/06/819077706.db2.gz FOAMKTQZHFJBHG-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405119 819087256 /nfs/dbraw/zinc/08/72/56/819087256.db2.gz NUHPSUNOBWLVQH-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405119 819087263 /nfs/dbraw/zinc/08/72/63/819087263.db2.gz NUHPSUNOBWLVQH-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP CCCCC1CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001235432066 819096259 /nfs/dbraw/zinc/09/62/59/819096259.db2.gz GYUPHCKXJVZBGN-GOSISDBHSA-N 2 2 274.452 3.459 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(Cl)c1 ZINC001235538001 819119659 /nfs/dbraw/zinc/11/96/59/819119659.db2.gz OEDBIIIXEYRMHT-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(Cl)c1 ZINC001235538001 819119667 /nfs/dbraw/zinc/11/96/67/819119667.db2.gz OEDBIIIXEYRMHT-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001235788097 819167591 /nfs/dbraw/zinc/16/75/91/819167591.db2.gz CIWHASSHVCJNSQ-UHFFFAOYSA-N 2 2 277.799 3.005 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(C)c(Cl)c2C)CC1 ZINC001235796205 819170267 /nfs/dbraw/zinc/17/02/67/819170267.db2.gz QSGBZICONKCOTM-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235840547 819182439 /nfs/dbraw/zinc/18/24/39/819182439.db2.gz NORQUDSZRQXDJE-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235840547 819182442 /nfs/dbraw/zinc/18/24/42/819182442.db2.gz NORQUDSZRQXDJE-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP Clc1cccc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885236 819196914 /nfs/dbraw/zinc/19/69/14/819196914.db2.gz UDTQIDAWZYOCSS-NEPJUHHUSA-N 2 2 299.245 3.392 20 0 CGADLP Clc1cccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885236 819196917 /nfs/dbraw/zinc/19/69/17/819196917.db2.gz UDTQIDAWZYOCSS-NEPJUHHUSA-N 2 2 299.245 3.392 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900188 819210702 /nfs/dbraw/zinc/21/07/02/819210702.db2.gz OXGWPECRHDVWGO-DGAVXFQQSA-N 2 2 290.373 3.190 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900188 819210706 /nfs/dbraw/zinc/21/07/06/819210706.db2.gz OXGWPECRHDVWGO-DGAVXFQQSA-N 2 2 290.373 3.190 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907658 819217005 /nfs/dbraw/zinc/21/70/05/819217005.db2.gz RWHUNWBXVRAJDA-RDTXWAMCSA-N 2 2 297.446 3.217 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907658 819217009 /nfs/dbraw/zinc/21/70/09/819217009.db2.gz RWHUNWBXVRAJDA-RDTXWAMCSA-N 2 2 297.446 3.217 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001235918862 819220050 /nfs/dbraw/zinc/22/00/50/819220050.db2.gz MZPRONWMAWXRIY-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001235918862 819220053 /nfs/dbraw/zinc/22/00/53/819220053.db2.gz MZPRONWMAWXRIY-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP CC/C=C\CCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927917 819226788 /nfs/dbraw/zinc/22/67/88/819226788.db2.gz OURJUGZLPDKNBN-ARJAWSKDSA-N 2 2 294.483 3.356 20 0 CGADLP CC/C=C\CCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927917 819226791 /nfs/dbraw/zinc/22/67/91/819226791.db2.gz OURJUGZLPDKNBN-ARJAWSKDSA-N 2 2 294.483 3.356 20 0 CGADLP COc1ccc2sc(C[N@H+](CC[NH3+])C(C)C)cc2c1 ZINC001235947272 819236062 /nfs/dbraw/zinc/23/60/62/819236062.db2.gz HPWOAAFJJJPIHW-UHFFFAOYSA-N 2 2 278.421 3.079 20 0 CGADLP COc1ccc2sc(C[N@@H+](CC[NH3+])C(C)C)cc2c1 ZINC001235947272 819236066 /nfs/dbraw/zinc/23/60/66/819236066.db2.gz HPWOAAFJJJPIHW-UHFFFAOYSA-N 2 2 278.421 3.079 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1cccc(SC(F)(F)F)c1 ZINC001235946919 819236368 /nfs/dbraw/zinc/23/63/68/819236368.db2.gz CZGVJJOVEVTKPI-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(SC(F)(F)F)c1 ZINC001235946919 819236374 /nfs/dbraw/zinc/23/63/74/819236374.db2.gz CZGVJJOVEVTKPI-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C)c1OC(C)C ZINC001235948327 819238487 /nfs/dbraw/zinc/23/84/87/819238487.db2.gz PCWVGWABUMHEAF-UHFFFAOYSA-N 2 2 278.440 3.260 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C)c1OC(C)C ZINC001235948327 819238490 /nfs/dbraw/zinc/23/84/90/819238490.db2.gz PCWVGWABUMHEAF-UHFFFAOYSA-N 2 2 278.440 3.260 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985488 819260739 /nfs/dbraw/zinc/26/07/39/819260739.db2.gz CDYLJLPFIQTVTR-PBHICJAKSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985488 819260747 /nfs/dbraw/zinc/26/07/47/819260747.db2.gz CDYLJLPFIQTVTR-PBHICJAKSA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(C)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236005712 819271293 /nfs/dbraw/zinc/27/12/93/819271293.db2.gz NHMIYYSKNSZYKV-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(C)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236005712 819271301 /nfs/dbraw/zinc/27/13/01/819271301.db2.gz NHMIYYSKNSZYKV-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047548 819285330 /nfs/dbraw/zinc/28/53/30/819285330.db2.gz MFEMCWXSZLSAAW-RDTXWAMCSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047548 819285336 /nfs/dbraw/zinc/28/53/36/819285336.db2.gz MFEMCWXSZLSAAW-RDTXWAMCSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3sccc32)C1 ZINC001236051839 819289292 /nfs/dbraw/zinc/28/92/92/819289292.db2.gz NRUJBNHYKHJMPT-YPMHNXCESA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3sccc32)C1 ZINC001236051839 819289300 /nfs/dbraw/zinc/28/93/00/819289300.db2.gz NRUJBNHYKHJMPT-YPMHNXCESA-N 2 2 260.406 3.070 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)c1 ZINC001236094189 819311903 /nfs/dbraw/zinc/31/19/03/819311903.db2.gz SCHIGPTXUKXJID-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)c1 ZINC001236094189 819311911 /nfs/dbraw/zinc/31/19/11/819311911.db2.gz SCHIGPTXUKXJID-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094118 819313048 /nfs/dbraw/zinc/31/30/48/819313048.db2.gz OMLZKAHLKFTAED-DYVFJYSZSA-N 2 2 284.403 3.018 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236094118 819313055 /nfs/dbraw/zinc/31/30/55/819313055.db2.gz OMLZKAHLKFTAED-DYVFJYSZSA-N 2 2 284.403 3.018 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236094222 819313090 /nfs/dbraw/zinc/31/30/90/819313090.db2.gz URJQNFOZDJICHU-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236094222 819313099 /nfs/dbraw/zinc/31/30/99/819313099.db2.gz URJQNFOZDJICHU-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP C[N@H+](Cc1ccccc1C(F)F)[C@@]1(C)CCC[NH2+]C1 ZINC001236205774 819369145 /nfs/dbraw/zinc/36/91/45/819369145.db2.gz GWTXZLVBXKUKCC-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1ccccc1C(F)F)[C@@]1(C)CCC[NH2+]C1 ZINC001236205774 819369150 /nfs/dbraw/zinc/36/91/50/819369150.db2.gz GWTXZLVBXKUKCC-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@H+](Cc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214158 819376001 /nfs/dbraw/zinc/37/60/01/819376001.db2.gz CMXVCXBFWVHUEN-CABCVRRESA-N 2 2 258.365 3.135 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236214158 819376007 /nfs/dbraw/zinc/37/60/07/819376007.db2.gz CMXVCXBFWVHUEN-CABCVRRESA-N 2 2 258.365 3.135 20 0 CGADLP Cc1cccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236226707 819391315 /nfs/dbraw/zinc/39/13/15/819391315.db2.gz ROWQORORMWGVOM-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236226707 819391321 /nfs/dbraw/zinc/39/13/21/819391321.db2.gz ROWQORORMWGVOM-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236236998 819396285 /nfs/dbraw/zinc/39/62/85/819396285.db2.gz NYTJLAWCDGXYOF-KRWDZBQOSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236236998 819396294 /nfs/dbraw/zinc/39/62/94/819396294.db2.gz NYTJLAWCDGXYOF-KRWDZBQOSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1ccc2cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC001236240055 819399977 /nfs/dbraw/zinc/39/99/77/819399977.db2.gz OFYLJSWCXLAHOI-GOSISDBHSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC001236240055 819399982 /nfs/dbraw/zinc/39/99/82/819399982.db2.gz OFYLJSWCXLAHOI-GOSISDBHSA-N 2 2 295.430 3.260 20 0 CGADLP CCC[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CC[NH2+]C1 ZINC001236323315 819425395 /nfs/dbraw/zinc/42/53/95/819425395.db2.gz DJTNLESJBIOUDY-OAHLLOKOSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CC[NH2+]C1 ZINC001236323315 819425399 /nfs/dbraw/zinc/42/53/99/819425399.db2.gz DJTNLESJBIOUDY-OAHLLOKOSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236323346 819425929 /nfs/dbraw/zinc/42/59/29/819425929.db2.gz FBYSXJPVXDQFNC-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236323346 819425931 /nfs/dbraw/zinc/42/59/31/819425931.db2.gz FBYSXJPVXDQFNC-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236334442 819428164 /nfs/dbraw/zinc/42/81/64/819428164.db2.gz JVRCNSLVPXBLBE-IRXDYDNUSA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236334442 819428168 /nfs/dbraw/zinc/42/81/68/819428168.db2.gz JVRCNSLVPXBLBE-IRXDYDNUSA-N 2 2 288.435 3.017 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)s1 ZINC001236418867 819464448 /nfs/dbraw/zinc/46/44/48/819464448.db2.gz GUUPCGLCYNOCOK-DOMZBBRYSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)s1 ZINC001236418867 819464451 /nfs/dbraw/zinc/46/44/51/819464451.db2.gz GUUPCGLCYNOCOK-DOMZBBRYSA-N 2 2 266.454 3.402 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC001236422479 819469443 /nfs/dbraw/zinc/46/94/43/819469443.db2.gz WTWUSVCKEKAEDH-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001236422479 819469446 /nfs/dbraw/zinc/46/94/46/819469446.db2.gz WTWUSVCKEKAEDH-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468439 819489970 /nfs/dbraw/zinc/48/99/70/819489970.db2.gz NKGXZAIBIKBCRF-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236468439 819489975 /nfs/dbraw/zinc/48/99/75/819489975.db2.gz NKGXZAIBIKBCRF-MRXNPFEDSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)[N@H+](Cc1ccc2scnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468897 819490177 /nfs/dbraw/zinc/49/01/77/819490177.db2.gz REJOISGAYJKKKU-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2scnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236468897 819490178 /nfs/dbraw/zinc/49/01/78/819490178.db2.gz REJOISGAYJKKKU-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP C[C@H]1C[C@H]1C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472585 819490866 /nfs/dbraw/zinc/49/08/66/819490866.db2.gz UECJXJXYEJWLKR-JLJPHGGASA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472585 819490871 /nfs/dbraw/zinc/49/08/71/819490871.db2.gz UECJXJXYEJWLKR-JLJPHGGASA-N 2 2 276.399 3.036 20 0 CGADLP CC(C)c1cc(Br)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909458 819637163 /nfs/dbraw/zinc/63/71/63/819637163.db2.gz RLMCOZUTPHMOAW-NSHDSACASA-N 2 2 299.256 3.352 20 0 CGADLP CC(C)c1cc(Br)cc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236909458 819637165 /nfs/dbraw/zinc/63/71/65/819637165.db2.gz RLMCOZUTPHMOAW-NSHDSACASA-N 2 2 299.256 3.352 20 0 CGADLP CCOc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237144101 819676140 /nfs/dbraw/zinc/67/61/40/819676140.db2.gz JALRRSXDUNMEBB-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237144101 819676144 /nfs/dbraw/zinc/67/61/44/819676144.db2.gz JALRRSXDUNMEBB-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP c1cnc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001237155141 819681747 /nfs/dbraw/zinc/68/17/47/819681747.db2.gz OLWRUBBJYOGFBF-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC001237155141 819681752 /nfs/dbraw/zinc/68/17/52/819681752.db2.gz OLWRUBBJYOGFBF-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP Fc1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(Cl)c1 ZINC001237384003 819737989 /nfs/dbraw/zinc/73/79/89/819737989.db2.gz TYADQLRKEVSRIQ-BBRMVZONSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(Cl)c1 ZINC001237384003 819737994 /nfs/dbraw/zinc/73/79/94/819737994.db2.gz TYADQLRKEVSRIQ-BBRMVZONSA-N 2 2 296.817 3.096 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)c(F)c1 ZINC001237631661 819792559 /nfs/dbraw/zinc/79/25/59/819792559.db2.gz XCOZKPPROCTNNC-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c(F)c1 ZINC001237631661 819792562 /nfs/dbraw/zinc/79/25/62/819792562.db2.gz XCOZKPPROCTNNC-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(C)c3Cl)C[C@@H]2C1 ZINC001237703687 819812384 /nfs/dbraw/zinc/81/23/84/819812384.db2.gz AFMTZVQVJJBVCP-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(C)c3Cl)C[C@@H]2C1 ZINC001237703687 819812395 /nfs/dbraw/zinc/81/23/95/819812395.db2.gz AFMTZVQVJJBVCP-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3Cl)C[C@@H]2C1 ZINC001237703687 819812404 /nfs/dbraw/zinc/81/24/04/819812404.db2.gz AFMTZVQVJJBVCP-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3Cl)C[C@@H]2C1 ZINC001237703687 819812413 /nfs/dbraw/zinc/81/24/13/819812413.db2.gz AFMTZVQVJJBVCP-IYBDPMFKSA-N 2 2 292.854 3.340 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237903405 819874588 /nfs/dbraw/zinc/87/45/88/819874588.db2.gz JIONHDUVFABVDW-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237903405 819874595 /nfs/dbraw/zinc/87/45/95/819874595.db2.gz JIONHDUVFABVDW-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001238104752 819936027 /nfs/dbraw/zinc/93/60/27/819936027.db2.gz ZERPSFANCYKNSI-KRWDZBQOSA-N 2 2 278.359 3.066 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001238104752 819936031 /nfs/dbraw/zinc/93/60/31/819936031.db2.gz ZERPSFANCYKNSI-KRWDZBQOSA-N 2 2 278.359 3.066 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@@H]2C1 ZINC001238567439 820048380 /nfs/dbraw/zinc/04/83/80/820048380.db2.gz TXTQJADVEXHRNL-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP CSc1cc(C)cc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238676469 820081847 /nfs/dbraw/zinc/08/18/47/820081847.db2.gz XODCXWNKFMNQQC-UHFFFAOYSA-N 2 2 278.465 3.243 20 0 CGADLP CSc1cc(C)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001238676469 820081856 /nfs/dbraw/zinc/08/18/56/820081856.db2.gz XODCXWNKFMNQQC-UHFFFAOYSA-N 2 2 278.465 3.243 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(C4CC4)nc3)c2)C1 ZINC001238856214 820136297 /nfs/dbraw/zinc/13/62/97/820136297.db2.gz KLQZIWBECPDZLR-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C4CC4)nc3)c2)C1 ZINC001238856214 820136299 /nfs/dbraw/zinc/13/62/99/820136299.db2.gz KLQZIWBECPDZLR-SFHVURJKSA-N 2 2 293.414 3.159 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC001243655794 823475894 /nfs/dbraw/zinc/47/58/94/823475894.db2.gz AORGPDRZXSSUQY-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP CCOc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239566318 820417760 /nfs/dbraw/zinc/41/77/60/820417760.db2.gz WITRKOJNSPBQBC-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239566318 820417763 /nfs/dbraw/zinc/41/77/63/820417763.db2.gz WITRKOJNSPBQBC-KRWDZBQOSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001239565763 820417951 /nfs/dbraw/zinc/41/79/51/820417951.db2.gz NIUVOUOZBOZUJY-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001239565763 820417956 /nfs/dbraw/zinc/41/79/56/820417956.db2.gz NIUVOUOZBOZUJY-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239566200 820418041 /nfs/dbraw/zinc/41/80/41/820418041.db2.gz UORCRFKAHKZMDT-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239566200 820418046 /nfs/dbraw/zinc/41/80/46/820418046.db2.gz UORCRFKAHKZMDT-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001239681420 820518282 /nfs/dbraw/zinc/51/82/82/820518282.db2.gz GCAODMSVWKECSZ-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239742070 820564901 /nfs/dbraw/zinc/56/49/01/820564901.db2.gz SVDLLKLTVCKNQY-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239742070 820564906 /nfs/dbraw/zinc/56/49/06/820564906.db2.gz SVDLLKLTVCKNQY-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001239821488 820636268 /nfs/dbraw/zinc/63/62/68/820636268.db2.gz OHBJIUNAYWJCGD-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP COCc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239936872 820716994 /nfs/dbraw/zinc/71/69/94/820716994.db2.gz HCJHJMKUBLCGRU-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239936872 820716998 /nfs/dbraw/zinc/71/69/98/820716998.db2.gz HCJHJMKUBLCGRU-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP C[NH+](C)CCOc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240220273 820896601 /nfs/dbraw/zinc/89/66/01/820896601.db2.gz FKLUACZJUOUTIJ-UHFFFAOYSA-N 2 2 299.349 3.081 20 0 CGADLP c1cn2ccc(-c3ccc(C[NH+]4CCCCC4)cn3)cc2[nH+]1 ZINC001240517726 821114852 /nfs/dbraw/zinc/11/48/52/821114852.db2.gz CSBSMQHTFBQWJJ-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP COCc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001240953641 821440521 /nfs/dbraw/zinc/44/05/21/821440521.db2.gz SEFNKBSRXPIQLY-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001240953641 821440523 /nfs/dbraw/zinc/44/05/23/821440523.db2.gz SEFNKBSRXPIQLY-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC001241234980 821657685 /nfs/dbraw/zinc/65/76/85/821657685.db2.gz HYVIXNFIDJFPGH-UHFFFAOYSA-N 2 2 296.418 3.114 20 0 CGADLP CCc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241548972 821939713 /nfs/dbraw/zinc/93/97/13/821939713.db2.gz CEOJHFYTJDVXOI-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241548972 821939720 /nfs/dbraw/zinc/93/97/20/821939720.db2.gz CEOJHFYTJDVXOI-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP Cc1cscc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241732093 822110797 /nfs/dbraw/zinc/11/07/97/822110797.db2.gz HOHJWCKOKIRXHJ-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cscc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241732093 822110800 /nfs/dbraw/zinc/11/08/00/822110800.db2.gz HOHJWCKOKIRXHJ-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP CCc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]c1 ZINC001339630464 936380290 /nfs/dbraw/zinc/38/02/90/936380290.db2.gz YNTBFVTYIVLPQA-WBVHZDCISA-N 2 2 285.435 3.097 20 0 CGADLP CCc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]c1 ZINC001339630464 936380294 /nfs/dbraw/zinc/38/02/94/936380294.db2.gz YNTBFVTYIVLPQA-WBVHZDCISA-N 2 2 285.435 3.097 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001349636212 936955365 /nfs/dbraw/zinc/95/53/65/936955365.db2.gz HHPQOIPUWCDBMJ-HKUYNNGSSA-N 2 2 295.430 3.364 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001349636212 936955367 /nfs/dbraw/zinc/95/53/67/936955367.db2.gz HHPQOIPUWCDBMJ-HKUYNNGSSA-N 2 2 295.430 3.364 20 0 CGADLP CCc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000084017918 926698672 /nfs/dbraw/zinc/69/86/72/926698672.db2.gz HQBASKJVDNNAQF-UHFFFAOYSA-N 2 2 298.415 3.181 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001550130550 927788563 /nfs/dbraw/zinc/78/85/63/927788563.db2.gz ZDIHNTKPVMFMSE-HNNXBMFYSA-N 2 2 273.424 3.180 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001550130550 927788572 /nfs/dbraw/zinc/78/85/72/927788572.db2.gz ZDIHNTKPVMFMSE-HNNXBMFYSA-N 2 2 273.424 3.180 20 0 CGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cncs2)CC1 ZINC001460625296 937536947 /nfs/dbraw/zinc/53/69/47/937536947.db2.gz GAYRHBDXJMQSAK-OAHLLOKOSA-N 2 2 293.480 3.230 20 0 CGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cncs2)CC1 ZINC001460625296 937536949 /nfs/dbraw/zinc/53/69/49/937536949.db2.gz GAYRHBDXJMQSAK-OAHLLOKOSA-N 2 2 293.480 3.230 20 0 CGADLP C[N@H+](Cc1ccc[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190649403 932026364 /nfs/dbraw/zinc/02/63/64/932026364.db2.gz VHJFSJLHJVYLFP-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP C[N@@H+](Cc1ccc[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000190649403 932026369 /nfs/dbraw/zinc/02/63/69/932026369.db2.gz VHJFSJLHJVYLFP-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP CCCn1c[nH+]cc1CNc1ccc(C)cc1C[NH+](C)C ZINC001461319796 937575690 /nfs/dbraw/zinc/57/56/90/937575690.db2.gz MNHMZJLXABTKFG-UHFFFAOYSA-N 2 2 286.423 3.275 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(CC)CC2)C1 ZINC001462460066 937643273 /nfs/dbraw/zinc/64/32/73/937643273.db2.gz WEMBGBSCYKXAQY-PCKAHOCUSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(CC)CC2)C1 ZINC001462460066 937643274 /nfs/dbraw/zinc/64/32/74/937643274.db2.gz WEMBGBSCYKXAQY-PCKAHOCUSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166424 933063561 /nfs/dbraw/zinc/06/35/61/933063561.db2.gz XDKIAWWOVZZYOX-LSDHHAIUSA-N 2 2 293.455 3.243 20 0 CGADLP CC[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166424 933063565 /nfs/dbraw/zinc/06/35/65/933063565.db2.gz XDKIAWWOVZZYOX-LSDHHAIUSA-N 2 2 293.455 3.243 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001308233553 933076837 /nfs/dbraw/zinc/07/68/37/933076837.db2.gz DNPLJKAGJPUMOS-FUHWJXTLSA-N 2 2 299.418 3.166 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC001462650385 937656809 /nfs/dbraw/zinc/65/68/09/937656809.db2.gz XAGXKXYEDNHAOV-SFHVURJKSA-N 2 2 276.468 3.412 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)C[N@H+](Cc2ccccc2)C1 ZINC001308920166 933204364 /nfs/dbraw/zinc/20/43/64/933204364.db2.gz WNDXSKFLIDFYGT-LMMKCTJWSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308920166 933204371 /nfs/dbraw/zinc/20/43/71/933204371.db2.gz WNDXSKFLIDFYGT-LMMKCTJWSA-N 2 2 284.447 3.453 20 0 CGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC2(CO1)CCCCC2 ZINC001473557931 937810895 /nfs/dbraw/zinc/81/08/95/937810895.db2.gz KAMLEYSWMLQNNX-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689355 937817737 /nfs/dbraw/zinc/81/77/37/937817737.db2.gz GFLODCRTAMHZKB-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689355 937817739 /nfs/dbraw/zinc/81/77/39/937817739.db2.gz GFLODCRTAMHZKB-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001473689355 937817741 /nfs/dbraw/zinc/81/77/41/937817741.db2.gz GFLODCRTAMHZKB-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001473689355 937817743 /nfs/dbraw/zinc/81/77/43/937817743.db2.gz GFLODCRTAMHZKB-RRQGHBQHSA-N 2 2 276.399 3.160 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2(C)CCCC2)C1 ZINC001331065243 935346265 /nfs/dbraw/zinc/34/62/65/935346265.db2.gz BIBULGZZHLWNPK-HNNXBMFYSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2(C)CCCC2)C1 ZINC001331065243 935346275 /nfs/dbraw/zinc/34/62/75/935346275.db2.gz BIBULGZZHLWNPK-HNNXBMFYSA-N 2 2 275.440 3.255 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001333368307 935530547 /nfs/dbraw/zinc/53/05/47/935530547.db2.gz AXXJZSYUKNESMF-UHFFFAOYSA-N 2 2 275.440 3.129 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC001473917654 937829876 /nfs/dbraw/zinc/82/98/76/937829876.db2.gz KODRMUDYUVZDKX-UHFFFAOYSA-N 2 2 296.842 3.314 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001473996948 937834467 /nfs/dbraw/zinc/83/44/67/937834467.db2.gz GMVRWKNDVNDOFZ-VYDXJSESSA-N 2 2 290.451 3.273 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001474000186 937835007 /nfs/dbraw/zinc/83/50/07/937835007.db2.gz VNQBJJWLHOYJAX-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001474000186 937835008 /nfs/dbraw/zinc/83/50/08/937835008.db2.gz VNQBJJWLHOYJAX-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317521 937851563 /nfs/dbraw/zinc/85/15/63/937851563.db2.gz LWLIEYPZJLBYEO-STQMWFEESA-N 2 2 285.382 3.188 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317521 937851565 /nfs/dbraw/zinc/85/15/65/937851565.db2.gz LWLIEYPZJLBYEO-STQMWFEESA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317521 937851567 /nfs/dbraw/zinc/85/15/67/937851567.db2.gz LWLIEYPZJLBYEO-STQMWFEESA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C(F)F)C[C@@H]1C ZINC001474317521 937851569 /nfs/dbraw/zinc/85/15/69/937851569.db2.gz LWLIEYPZJLBYEO-STQMWFEESA-N 2 2 285.382 3.188 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001548830554 938152274 /nfs/dbraw/zinc/15/22/74/938152274.db2.gz OPBBZUISMPLCRC-GOSISDBHSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001548830554 938152275 /nfs/dbraw/zinc/15/22/75/938152275.db2.gz OPBBZUISMPLCRC-GOSISDBHSA-N 2 2 295.430 3.015 20 0 CGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550059832 938162405 /nfs/dbraw/zinc/16/24/05/938162405.db2.gz VDNVBFBYDNOPNT-GOSISDBHSA-N 2 2 297.446 3.459 20 0 CGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001550059832 938162406 /nfs/dbraw/zinc/16/24/06/938162406.db2.gz VDNVBFBYDNOPNT-GOSISDBHSA-N 2 2 297.446 3.459 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC001550298463 938165028 /nfs/dbraw/zinc/16/50/28/938165028.db2.gz RORCOBOFEFROSC-GIZXNFQBSA-N 2 2 299.393 3.452 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001550298463 938165029 /nfs/dbraw/zinc/16/50/29/938165029.db2.gz RORCOBOFEFROSC-GIZXNFQBSA-N 2 2 299.393 3.452 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cc1C ZINC001550623329 938168872 /nfs/dbraw/zinc/16/88/72/938168872.db2.gz QHFNRHJFOJBEJR-SFHVURJKSA-N 2 2 297.446 3.459 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cc1C ZINC001550623329 938168873 /nfs/dbraw/zinc/16/88/73/938168873.db2.gz QHFNRHJFOJBEJR-SFHVURJKSA-N 2 2 297.446 3.459 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC001551379248 938180855 /nfs/dbraw/zinc/18/08/55/938180855.db2.gz WCIMLQGTLFFNSE-VDNDLQMASA-N 2 2 276.399 3.119 20 0 CGADLP C=C/C=C\CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560099040 938244038 /nfs/dbraw/zinc/24/40/38/938244038.db2.gz ZQJZWZPQWMFYJV-CWIOURORSA-N 2 2 267.376 3.346 20 0 CGADLP c1cn(CC[N@@H+]2CCCCC23CCCCCC3)c[nH+]1 ZINC001560230774 938248043 /nfs/dbraw/zinc/24/80/43/938248043.db2.gz HDGVJDFYUABLEA-UHFFFAOYSA-N 2 2 261.413 3.462 20 0 CGADLP c1cn(CC[N@H+]2CCCCC23CCCCCC3)c[nH+]1 ZINC001560230774 938248044 /nfs/dbraw/zinc/24/80/44/938248044.db2.gz HDGVJDFYUABLEA-UHFFFAOYSA-N 2 2 261.413 3.462 20 0 CGADLP CC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001560452195 938259017 /nfs/dbraw/zinc/25/90/17/938259017.db2.gz QCHYQWHBMKOEPP-UHFFFAOYSA-N 2 2 264.457 3.422 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)C(C)(C)C ZINC001560790339 938275940 /nfs/dbraw/zinc/27/59/40/938275940.db2.gz ZRNWNSGTJXVIBP-CQSZACIVSA-N 2 2 254.462 3.380 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)C(C)(C)C ZINC001560790339 938275941 /nfs/dbraw/zinc/27/59/41/938275941.db2.gz ZRNWNSGTJXVIBP-CQSZACIVSA-N 2 2 254.462 3.380 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001560860932 938280423 /nfs/dbraw/zinc/28/04/23/938280423.db2.gz ZWJHXBBSLPCUIL-IRXDYDNUSA-N 2 2 272.436 3.180 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001560860932 938280424 /nfs/dbraw/zinc/28/04/24/938280424.db2.gz ZWJHXBBSLPCUIL-IRXDYDNUSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)C1 ZINC001560929082 938284313 /nfs/dbraw/zinc/28/43/13/938284313.db2.gz MMDWJOCCPLSPDL-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)C1 ZINC001560929082 938284314 /nfs/dbraw/zinc/28/43/14/938284314.db2.gz MMDWJOCCPLSPDL-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929142 938284529 /nfs/dbraw/zinc/28/45/29/938284529.db2.gz OBAAABREPIIUAD-SOUVJXGZSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929142 938284530 /nfs/dbraw/zinc/28/45/30/938284530.db2.gz OBAAABREPIIUAD-SOUVJXGZSA-N 2 2 252.446 3.274 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944386 938285588 /nfs/dbraw/zinc/28/55/88/938285588.db2.gz DRNIYSVVVIDDIF-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944386 938285590 /nfs/dbraw/zinc/28/55/90/938285590.db2.gz DRNIYSVVVIDDIF-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC001575615300 962400520 /nfs/dbraw/zinc/40/05/20/962400520.db2.gz RCGKJPKTKVMTNY-RVKKMQEKSA-N 2 2 290.451 3.198 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC001578193920 962578180 /nfs/dbraw/zinc/57/81/80/962578180.db2.gz BJXQRKKGXUOQLV-WFASDCNBSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC001578193920 962578198 /nfs/dbraw/zinc/57/81/98/962578198.db2.gz BJXQRKKGXUOQLV-WFASDCNBSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC001579571374 962638061 /nfs/dbraw/zinc/63/80/61/962638061.db2.gz CVRIOPPEFWUYRR-RPBGNJHWSA-N 2 2 270.420 3.108 20 0 CGADLP Cc1ccc2sc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])nc2c1 ZINC001579743323 962662263 /nfs/dbraw/zinc/66/22/63/962662263.db2.gz SEVYQOUKFVCMEJ-CYBMUJFWSA-N 2 2 289.448 3.308 20 0 CGADLP Cc1ccc2sc(C[N@H+]3CCCC[C@@H]3CC[NH3+])nc2c1 ZINC001579743323 962662275 /nfs/dbraw/zinc/66/22/75/962662275.db2.gz SEVYQOUKFVCMEJ-CYBMUJFWSA-N 2 2 289.448 3.308 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001580183703 962701700 /nfs/dbraw/zinc/70/17/00/962701700.db2.gz OPGNWWKBROMLRG-CYBMUJFWSA-N 2 2 282.378 3.101 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC001580183703 962701720 /nfs/dbraw/zinc/70/17/20/962701720.db2.gz OPGNWWKBROMLRG-CYBMUJFWSA-N 2 2 282.378 3.101 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000621268479 349486541 /nfs/dbraw/zinc/48/65/41/349486541.db2.gz LUXWJVFCHKSVCI-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000621268479 349486544 /nfs/dbraw/zinc/48/65/44/349486544.db2.gz LUXWJVFCHKSVCI-IUODEOHRSA-N 2 2 290.798 3.015 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337424264 214075155 /nfs/dbraw/zinc/07/51/55/214075155.db2.gz VXEMVPAFKOHLHH-UHFFFAOYSA-N 2 2 278.415 3.224 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337424264 214075157 /nfs/dbraw/zinc/07/51/57/214075157.db2.gz VXEMVPAFKOHLHH-UHFFFAOYSA-N 2 2 278.415 3.224 20 0 CGADLP C[C@@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337431427 214079206 /nfs/dbraw/zinc/07/92/06/214079206.db2.gz FUGLJCQWWKIUJE-CJNGLKHVSA-N 2 2 289.810 3.452 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C3CC3)C3CCC3)[nH+]c12 ZINC000651241178 398221434 /nfs/dbraw/zinc/22/14/34/398221434.db2.gz RXALNMLYJGWUHP-QGZVFWFLSA-N 2 2 283.419 3.354 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000621734528 349574093 /nfs/dbraw/zinc/57/40/93/349574093.db2.gz OYMDAZLYURDLDB-HOTGVXAUSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000621734528 349574099 /nfs/dbraw/zinc/57/40/99/349574099.db2.gz OYMDAZLYURDLDB-HOTGVXAUSA-N 2 2 294.389 3.286 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651736169 398278897 /nfs/dbraw/zinc/27/88/97/398278897.db2.gz PCTZIIWJMWMWII-QCEMKRCNSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651736169 398278900 /nfs/dbraw/zinc/27/89/00/398278900.db2.gz PCTZIIWJMWMWII-QCEMKRCNSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCCO1 ZINC000439475377 529397092 /nfs/dbraw/zinc/39/70/92/529397092.db2.gz FMLAYVXOVPQRTB-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCCO1 ZINC000439475377 529397095 /nfs/dbraw/zinc/39/70/95/529397095.db2.gz FMLAYVXOVPQRTB-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CCc1cc[nH+]cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000651979796 398315346 /nfs/dbraw/zinc/31/53/46/398315346.db2.gz KCPLGFQHLNMCEU-UHFFFAOYSA-N 2 2 282.391 3.120 20 0 CGADLP CC[C@@H](F)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000440786582 529550559 /nfs/dbraw/zinc/55/05/59/529550559.db2.gz SNAWNELUOGZGMP-MRXNPFEDSA-N 2 2 293.430 3.368 20 0 CGADLP CC[C@@H](F)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000440786582 529550561 /nfs/dbraw/zinc/55/05/61/529550561.db2.gz SNAWNELUOGZGMP-MRXNPFEDSA-N 2 2 293.430 3.368 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1OC ZINC000423287483 529589833 /nfs/dbraw/zinc/58/98/33/529589833.db2.gz MOZZGEWHVYIACK-LBPRGKRZSA-N 2 2 270.804 3.127 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423519084 529611705 /nfs/dbraw/zinc/61/17/05/529611705.db2.gz ZUSFZOHPHHQAQF-ACJLOTCBSA-N 2 2 284.403 3.305 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337595 349781708 /nfs/dbraw/zinc/78/17/08/349781708.db2.gz PYBDXQAOWJRMCG-YPMHNXCESA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337595 349781711 /nfs/dbraw/zinc/78/17/11/349781711.db2.gz PYBDXQAOWJRMCG-YPMHNXCESA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cc(Cl)ccc1OC ZINC000423435944 529651067 /nfs/dbraw/zinc/65/10/67/529651067.db2.gz FBACLQRBPDXLJW-NRUUGDAUSA-N 2 2 270.804 3.125 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000423402720 529670639 /nfs/dbraw/zinc/67/06/39/529670639.db2.gz RTQYSGLSFOKEBE-LKTVYLICSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C)c1 ZINC000368104390 529673141 /nfs/dbraw/zinc/67/31/41/529673141.db2.gz FSTWWXQIHZIOLK-GJZGRUSLSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C)c1 ZINC000368104390 529673142 /nfs/dbraw/zinc/67/31/42/529673142.db2.gz FSTWWXQIHZIOLK-GJZGRUSLSA-N 2 2 269.392 3.316 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000268851175 536874761 /nfs/dbraw/zinc/87/47/61/536874761.db2.gz CRWWYVZPAVXLSZ-RRFJBIMHSA-N 2 2 278.440 3.129 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445831 349811646 /nfs/dbraw/zinc/81/16/46/349811646.db2.gz GXBZHECUIINJKI-BXUZGUMPSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445831 349811647 /nfs/dbraw/zinc/81/16/47/349811647.db2.gz GXBZHECUIINJKI-BXUZGUMPSA-N 2 2 294.826 3.236 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)o1 ZINC000423252956 529721859 /nfs/dbraw/zinc/72/18/59/529721859.db2.gz YILPBAWUYXNUGR-WFASDCNBSA-N 2 2 258.365 3.193 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1F ZINC000351354878 219093216 /nfs/dbraw/zinc/09/32/16/219093216.db2.gz WZNHHDAZAWREKO-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)cc1F ZINC000351354878 219093219 /nfs/dbraw/zinc/09/32/19/219093219.db2.gz WZNHHDAZAWREKO-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP COCC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486801 349818499 /nfs/dbraw/zinc/81/84/99/349818499.db2.gz IWYTUWJCEIJQAK-LSDHHAIUSA-N 2 2 294.439 3.128 20 0 CGADLP COCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C)o1 ZINC000623486801 349818502 /nfs/dbraw/zinc/81/85/02/349818502.db2.gz IWYTUWJCEIJQAK-LSDHHAIUSA-N 2 2 294.439 3.128 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000623657523 349859660 /nfs/dbraw/zinc/85/96/60/349859660.db2.gz SUOQSDNJIXZODY-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000623657523 349859661 /nfs/dbraw/zinc/85/96/61/349859661.db2.gz SUOQSDNJIXZODY-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000623656082 349856908 /nfs/dbraw/zinc/85/69/08/349856908.db2.gz MMIWAFHMWDIDPT-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000623656082 349856909 /nfs/dbraw/zinc/85/69/09/349856909.db2.gz MMIWAFHMWDIDPT-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC000359597260 529899039 /nfs/dbraw/zinc/89/90/39/529899039.db2.gz NTOFUMINSADRRL-INIZCTEOSA-N 2 2 283.419 3.010 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC000359597260 529899040 /nfs/dbraw/zinc/89/90/40/529899040.db2.gz NTOFUMINSADRRL-INIZCTEOSA-N 2 2 283.419 3.010 20 0 CGADLP Clc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351544683 219121259 /nfs/dbraw/zinc/12/12/59/219121259.db2.gz JRTAAMXNLYCCLY-UHFFFAOYSA-N 2 2 298.777 3.014 20 0 CGADLP Cc1cc(F)ccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351546399 219122026 /nfs/dbraw/zinc/12/20/26/219122026.db2.gz RGCCRJYODFKQEY-UHFFFAOYSA-N 2 2 296.349 3.386 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000623922600 349916203 /nfs/dbraw/zinc/91/62/03/349916203.db2.gz DZQSZPYEEVLIKX-CABCVRRESA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000623922600 349916206 /nfs/dbraw/zinc/91/62/06/349916206.db2.gz DZQSZPYEEVLIKX-CABCVRRESA-N 2 2 295.496 3.470 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037213887 344948954 /nfs/dbraw/zinc/94/89/54/344948954.db2.gz YRDYXPIYWJISLT-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000037213887 344948955 /nfs/dbraw/zinc/94/89/55/344948955.db2.gz YRDYXPIYWJISLT-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CC(C)(C)C ZINC000066970121 345310397 /nfs/dbraw/zinc/31/03/97/345310397.db2.gz QETJUZUDTOXAJO-UHFFFAOYSA-N 2 2 259.397 3.371 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)n1 ZINC000623960437 349928822 /nfs/dbraw/zinc/92/88/22/349928822.db2.gz XFPQVRUYWHEHJE-CYBMUJFWSA-N 2 2 281.469 3.224 20 0 CGADLP Fc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000075758073 345521699 /nfs/dbraw/zinc/52/16/99/345521699.db2.gz VFQKIUSJCHZGQY-UHFFFAOYSA-N 2 2 295.361 3.360 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000295118106 199354245 /nfs/dbraw/zinc/35/42/45/199354245.db2.gz WHQIYVWSDIEAHO-GOSISDBHSA-N 2 2 297.402 3.059 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000295118106 199354247 /nfs/dbraw/zinc/35/42/47/199354247.db2.gz WHQIYVWSDIEAHO-GOSISDBHSA-N 2 2 297.402 3.059 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCCO1 ZINC000623977314 349934421 /nfs/dbraw/zinc/93/44/21/349934421.db2.gz MXXDAEJHZVGDRI-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCCO1 ZINC000623977314 349934424 /nfs/dbraw/zinc/93/44/24/349934424.db2.gz MXXDAEJHZVGDRI-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000155944542 232226234 /nfs/dbraw/zinc/22/62/34/232226234.db2.gz ZOLRCRGXBXWWCG-RDJZCZTQSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000155944542 232226237 /nfs/dbraw/zinc/22/62/37/232226237.db2.gz ZOLRCRGXBXWWCG-RDJZCZTQSA-N 2 2 284.403 3.075 20 0 CGADLP Cc1nc(NCc2ccccc2-n2cc[nH+]c2)c(C)c(C)[nH+]1 ZINC000091506245 345817355 /nfs/dbraw/zinc/81/73/55/345817355.db2.gz FDENIKRBJZUOHV-UHFFFAOYSA-N 2 2 293.374 3.200 20 0 CGADLP Cc1cc(NCc2cn3cccc(C)c3[nH+]2)nc(C(C)C)[nH+]1 ZINC000091628494 345819071 /nfs/dbraw/zinc/81/90/71/345819071.db2.gz AWHIKUADXMWCOF-UHFFFAOYSA-N 2 2 295.390 3.477 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000089553393 345770770 /nfs/dbraw/zinc/77/07/70/345770770.db2.gz MSCFOVOXGAKRCD-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000090046617 345778656 /nfs/dbraw/zinc/77/86/56/345778656.db2.gz JQSRPPXOHUIWPR-FUHWJXTLSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000090046619 345778662 /nfs/dbraw/zinc/77/86/62/345778662.db2.gz JQSRPPXOHUIWPR-SJLPKXTDSA-N 2 2 290.451 3.228 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047717 345779535 /nfs/dbraw/zinc/77/95/35/345779535.db2.gz UUXJCTRPTVWDKN-JKSUJKDBSA-N 2 2 290.451 3.010 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccccc1F ZINC000090847240 345796066 /nfs/dbraw/zinc/79/60/66/345796066.db2.gz LNQXIEHQXRWKOG-ZDUSSCGKSA-N 2 2 258.340 3.422 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH]1 ZINC000092073865 345830308 /nfs/dbraw/zinc/83/03/08/345830308.db2.gz METMXEYTXZTWDV-CQSZACIVSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH]1 ZINC000092073865 345830311 /nfs/dbraw/zinc/83/03/11/345830311.db2.gz METMXEYTXZTWDV-CQSZACIVSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CCC2)[NH+](C)C)cc1 ZINC000178137361 232382220 /nfs/dbraw/zinc/38/22/20/232382220.db2.gz ULFXSEJWMDUNCP-PBHICJAKSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000127575083 187317222 /nfs/dbraw/zinc/31/72/22/187317222.db2.gz UKMYRDMUMMTIFF-AWEZNQCLSA-N 2 2 297.377 3.409 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000216328475 346289900 /nfs/dbraw/zinc/28/99/00/346289900.db2.gz QGZRUOWTQLHHBM-GOSISDBHSA-N 2 2 280.415 3.460 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000216328475 346289905 /nfs/dbraw/zinc/28/99/05/346289905.db2.gz QGZRUOWTQLHHBM-GOSISDBHSA-N 2 2 280.415 3.460 20 0 CGADLP CC1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000236687110 346342916 /nfs/dbraw/zinc/34/29/16/346342916.db2.gz UAOQXECDIDDJFW-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP FCC1(CF)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624077919 349965108 /nfs/dbraw/zinc/96/51/08/349965108.db2.gz HVIICXREQYOYEO-OAHLLOKOSA-N 2 2 286.410 3.071 20 0 CGADLP FCC1(CF)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624077919 349965110 /nfs/dbraw/zinc/96/51/10/349965110.db2.gz HVIICXREQYOYEO-OAHLLOKOSA-N 2 2 286.410 3.071 20 0 CGADLP Cc1nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309873033 346470921 /nfs/dbraw/zinc/47/09/21/346470921.db2.gz HGOCNVKELNVTCN-QGZVFWFLSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1nc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309873033 346470924 /nfs/dbraw/zinc/47/09/24/346470924.db2.gz HGOCNVKELNVTCN-QGZVFWFLSA-N 2 2 296.418 3.109 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000594748435 347215818 /nfs/dbraw/zinc/21/58/18/347215818.db2.gz SHSSJWGWCDXBFL-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000594748435 347215820 /nfs/dbraw/zinc/21/58/20/347215820.db2.gz SHSSJWGWCDXBFL-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](CSCCF)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000595004510 347253420 /nfs/dbraw/zinc/25/34/20/347253420.db2.gz ANOWEKJWJNTWJW-LBPRGKRZSA-N 2 2 295.427 3.176 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cncs1 ZINC000128600171 187379488 /nfs/dbraw/zinc/37/94/88/187379488.db2.gz KIKCIMXXWAMOAU-LLVKDONJSA-N 2 2 286.404 3.152 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000128697592 187384818 /nfs/dbraw/zinc/38/48/18/187384818.db2.gz LZGOAXDYVPZTGZ-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP COc1ccc(F)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000339372498 215129404 /nfs/dbraw/zinc/12/94/04/215129404.db2.gz FDDWDZQYDYBYAJ-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383625 348117457 /nfs/dbraw/zinc/11/74/57/348117457.db2.gz KAYHTRPDFMNNOC-GOSISDBHSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000604383625 348117460 /nfs/dbraw/zinc/11/74/60/348117460.db2.gz KAYHTRPDFMNNOC-GOSISDBHSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000605574518 348163513 /nfs/dbraw/zinc/16/35/13/348163513.db2.gz WFQUCNWMQQCLKB-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000605574518 348163518 /nfs/dbraw/zinc/16/35/18/348163518.db2.gz WFQUCNWMQQCLKB-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418416 215157609 /nfs/dbraw/zinc/15/76/09/215157609.db2.gz BNWURMAGHWAAMU-SWLSCSKDSA-N 2 2 282.378 3.228 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418416 215157610 /nfs/dbraw/zinc/15/76/10/215157610.db2.gz BNWURMAGHWAAMU-SWLSCSKDSA-N 2 2 282.378 3.228 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)c[nH+]1 ZINC000607729392 348259058 /nfs/dbraw/zinc/25/90/58/348259058.db2.gz XRCFBUAMSZCYFM-QGZVFWFLSA-N 2 2 299.418 3.379 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCCOc3ccccc3)C2)c[nH+]1 ZINC000607729392 348259059 /nfs/dbraw/zinc/25/90/59/348259059.db2.gz XRCFBUAMSZCYFM-QGZVFWFLSA-N 2 2 299.418 3.379 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000608069188 348282486 /nfs/dbraw/zinc/28/24/86/348282486.db2.gz YQTHSHNAZKVHBP-KRWDZBQOSA-N 2 2 295.386 3.395 20 0 CGADLP c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000608079638 348283008 /nfs/dbraw/zinc/28/30/08/348283008.db2.gz YOUJJPHZJPTMIC-UHFFFAOYSA-N 2 2 273.424 3.174 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611034427 348418923 /nfs/dbraw/zinc/41/89/23/348418923.db2.gz VUYCBIZMOKYHGK-OAHLLOKOSA-N 2 2 272.502 3.228 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611034427 348418925 /nfs/dbraw/zinc/41/89/25/348418925.db2.gz VUYCBIZMOKYHGK-OAHLLOKOSA-N 2 2 272.502 3.228 20 0 CGADLP CSC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193001 348427649 /nfs/dbraw/zinc/42/76/49/348427649.db2.gz AMWYQBZKUKRQBA-GDBMZVCRSA-N 2 2 292.492 3.381 20 0 CGADLP CSC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193001 348427652 /nfs/dbraw/zinc/42/76/52/348427652.db2.gz AMWYQBZKUKRQBA-GDBMZVCRSA-N 2 2 292.492 3.381 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000358203323 233079710 /nfs/dbraw/zinc/07/97/10/233079710.db2.gz NVSXFORQGICKHX-GDBMZVCRSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000358203323 233079713 /nfs/dbraw/zinc/07/97/13/233079713.db2.gz NVSXFORQGICKHX-GDBMZVCRSA-N 2 2 258.409 3.212 20 0 CGADLP COCc1ccccc1/C=C(\C)C[NH2+]CCCn1cc[nH+]c1 ZINC000351996047 219282608 /nfs/dbraw/zinc/28/26/08/219282608.db2.gz SLLQXUQMZWFWQJ-FOWTUZBSSA-N 2 2 299.418 3.113 20 0 CGADLP Cc1ccc2[nH+]c(CNc3cc4c(c[nH+]3)CCC4)cn2c1 ZINC000339553309 215240646 /nfs/dbraw/zinc/24/06/46/215240646.db2.gz HQOGUTIHXJRYJN-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC23CC3)c[nH+]1 ZINC000628494651 350560896 /nfs/dbraw/zinc/56/08/96/350560896.db2.gz VIZNUCFXDIVNCK-MRXNPFEDSA-N 2 2 258.409 3.493 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000629527459 350702849 /nfs/dbraw/zinc/70/28/49/350702849.db2.gz WGICOMSKNRVPAL-ARLBYUKCSA-N 2 2 258.409 3.273 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc(F)c1 ZINC000629527517 350703008 /nfs/dbraw/zinc/70/30/08/350703008.db2.gz XTGFWGLDRCWCGJ-SOUVJXGZSA-N 2 2 250.361 3.007 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000629534534 350705013 /nfs/dbraw/zinc/70/50/13/350705013.db2.gz ALEHQJKDJNTRNR-SUNYJGFJSA-N 2 2 289.467 3.244 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629535886 350705237 /nfs/dbraw/zinc/70/52/37/350705237.db2.gz FIPCSQAFLHENDL-IJEWVQPXSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C[NH2+]1 ZINC000629535387 350705242 /nfs/dbraw/zinc/70/52/42/350705242.db2.gz CEEZRMUGMAUGLG-PBFPGSCMSA-N 2 2 283.419 3.275 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)cc2c1 ZINC000629538905 350706619 /nfs/dbraw/zinc/70/66/19/350706619.db2.gz WLROPAZUIJZJRU-SUNYJGFJSA-N 2 2 283.419 3.019 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CCC2 ZINC000629541376 350707366 /nfs/dbraw/zinc/70/73/66/350707366.db2.gz URQCGNUJSDDEJF-YSVLISHTSA-N 2 2 258.409 3.103 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000629542282 350707419 /nfs/dbraw/zinc/70/74/19/350707419.db2.gz DAIDKBICHUGNBM-PVXIVEMSSA-N 2 2 282.378 3.392 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629542553 350707558 /nfs/dbraw/zinc/70/75/58/350707558.db2.gz FSISBAGMPOXOMP-DCGLDWPTSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C[NH2+]1 ZINC000629541795 350707564 /nfs/dbraw/zinc/70/75/64/350707564.db2.gz WGSMDKFROASZRX-WWGRRREGSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C[NH2+]1 ZINC000629540672 350707627 /nfs/dbraw/zinc/70/76/27/350707627.db2.gz SERWEMKIEXRJMH-MPPDQPJWSA-N 2 2 282.478 3.404 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629543354 350708422 /nfs/dbraw/zinc/70/84/22/350708422.db2.gz YYVSBLPSWIQLLW-XYPHTWIQSA-N 2 2 258.409 3.176 20 0 CGADLP Cc1[nH+]c(C(C)C)ccc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000629542842 350708487 /nfs/dbraw/zinc/70/84/87/350708487.db2.gz NARGQFWVGCXJFJ-QGZVFWFLSA-N 2 2 295.430 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2s1 ZINC000629546595 350710524 /nfs/dbraw/zinc/71/05/24/350710524.db2.gz UAAXTTMLXSYOKJ-GMXVVIOVSA-N 2 2 260.406 3.302 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000629549969 350710755 /nfs/dbraw/zinc/71/07/55/350710755.db2.gz YKBFBQLTWWKYBQ-PBHICJAKSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000629549969 350710759 /nfs/dbraw/zinc/71/07/59/350710759.db2.gz YKBFBQLTWWKYBQ-PBHICJAKSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2c1 ZINC000629509872 350699082 /nfs/dbraw/zinc/69/90/82/350699082.db2.gz PSRJUBJPBRVDQW-KSSFIOAISA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2c1 ZINC000629509872 350699087 /nfs/dbraw/zinc/69/90/87/350699087.db2.gz PSRJUBJPBRVDQW-KSSFIOAISA-N 2 2 283.419 3.245 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629516846 350699449 /nfs/dbraw/zinc/69/94/49/350699449.db2.gz SJXQMZZHNXDQMZ-LRDDRELGSA-N 2 2 294.826 3.010 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000629515014 350700072 /nfs/dbraw/zinc/70/00/72/350700072.db2.gz OXFWCERODOYXCO-CXAGYDPISA-N 2 2 275.440 3.073 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000629515014 350700076 /nfs/dbraw/zinc/70/00/76/350700076.db2.gz OXFWCERODOYXCO-CXAGYDPISA-N 2 2 275.440 3.073 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000629520476 350700638 /nfs/dbraw/zinc/70/06/38/350700638.db2.gz MAQHSCPVEZYZQX-IAQYHMDHSA-N 2 2 294.439 3.483 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)s1 ZINC000629525969 350701966 /nfs/dbraw/zinc/70/19/66/350701966.db2.gz HNZKOEDPMSQQAY-WCFLWFBJSA-N 2 2 252.427 3.102 20 0 CGADLP Cc1scc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000630077548 350808301 /nfs/dbraw/zinc/80/83/01/350808301.db2.gz SFLQTPHJDNOCFR-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1scc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000630077548 350808304 /nfs/dbraw/zinc/80/83/04/350808304.db2.gz SFLQTPHJDNOCFR-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000631036228 350932968 /nfs/dbraw/zinc/93/29/68/350932968.db2.gz XILACOIOQTUMFK-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000631115378 350959879 /nfs/dbraw/zinc/95/98/79/350959879.db2.gz RKNWUQGRTSFWNV-BDUNBXCCSA-N 2 2 295.430 3.426 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)c[nH+]c12 ZINC000631254475 351007955 /nfs/dbraw/zinc/00/79/55/351007955.db2.gz LFYSCBRPEFTAAZ-IAGOWNOFSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCC34CC4)n2c1 ZINC000631190806 350985165 /nfs/dbraw/zinc/98/51/65/350985165.db2.gz CCKCNDWMQQYACP-AWEZNQCLSA-N 2 2 255.365 3.065 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]Cc2c[nH+]c3ccc(C)cn23)s1 ZINC000631224200 350997394 /nfs/dbraw/zinc/99/73/94/350997394.db2.gz PORDYLWQJDKWJP-LLVKDONJSA-N 2 2 286.404 3.258 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)n1C ZINC000361249186 233595038 /nfs/dbraw/zinc/59/50/38/233595038.db2.gz FMSPNQNWQWYWQJ-UHFFFAOYSA-N 2 2 295.390 3.143 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631657356 351108101 /nfs/dbraw/zinc/10/81/01/351108101.db2.gz CAWUBGLTGZZMQL-LBPRGKRZSA-N 2 2 261.344 3.271 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCCC[C@@H]([NH3+])C3)cc2c1 ZINC000631835578 351149883 /nfs/dbraw/zinc/14/98/83/351149883.db2.gz VIUOQNKEEIEYRO-QGZVFWFLSA-N 2 2 283.419 3.247 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCCC[C@@H]([NH3+])C3)cc2c1 ZINC000631835578 351149886 /nfs/dbraw/zinc/14/98/86/351149886.db2.gz VIUOQNKEEIEYRO-QGZVFWFLSA-N 2 2 283.419 3.247 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000631795907 351143641 /nfs/dbraw/zinc/14/36/41/351143641.db2.gz OYXUKGZWSTXDHR-INIZCTEOSA-N 2 2 282.378 3.300 20 0 CGADLP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)no1 ZINC000634961235 351610400 /nfs/dbraw/zinc/61/04/00/351610400.db2.gz OSMHBXLZIGZWAW-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP Clc1ccccc1[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991671 351619104 /nfs/dbraw/zinc/61/91/04/351619104.db2.gz NNDYIIUUQSNXLZ-DSSZZKGTSA-N 2 2 276.811 3.229 20 0 CGADLP Clc1ccccc1[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991671 351619107 /nfs/dbraw/zinc/61/91/07/351619107.db2.gz NNDYIIUUQSNXLZ-DSSZZKGTSA-N 2 2 276.811 3.229 20 0 CGADLP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+](C)C ZINC000291698644 198062716 /nfs/dbraw/zinc/06/27/16/198062716.db2.gz JZMGQCGYTKHKGA-CYBMUJFWSA-N 2 2 289.448 3.097 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cn[nH]c1 ZINC000271446888 191142023 /nfs/dbraw/zinc/14/20/23/191142023.db2.gz FTZWGINTCDPLQA-RLFYNMQTSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cn[nH]c1 ZINC000271446888 191142025 /nfs/dbraw/zinc/14/20/25/191142025.db2.gz FTZWGINTCDPLQA-RLFYNMQTSA-N 2 2 298.434 3.113 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123117267 187071919 /nfs/dbraw/zinc/07/19/19/187071919.db2.gz MUXGMQZDYJLQHM-NVXWUHKLSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123117267 187071920 /nfs/dbraw/zinc/07/19/20/187071920.db2.gz MUXGMQZDYJLQHM-NVXWUHKLSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123117267 187071921 /nfs/dbraw/zinc/07/19/21/187071921.db2.gz MUXGMQZDYJLQHM-NVXWUHKLSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123117267 187071922 /nfs/dbraw/zinc/07/19/22/187071922.db2.gz MUXGMQZDYJLQHM-NVXWUHKLSA-N 2 2 290.451 3.388 20 0 CGADLP COCCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122742967 187048868 /nfs/dbraw/zinc/04/88/68/187048868.db2.gz BKSITUNVGZSBHT-HNNXBMFYSA-N 2 2 287.407 3.340 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000352273752 219389351 /nfs/dbraw/zinc/38/93/51/219389351.db2.gz PZUOYOARFLFRHE-HZPDHXFCSA-N 2 2 290.451 3.033 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000352273750 219388179 /nfs/dbraw/zinc/38/81/79/219388179.db2.gz PZUOYOARFLFRHE-CVEARBPZSA-N 2 2 290.451 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000366770759 234190724 /nfs/dbraw/zinc/19/07/24/234190724.db2.gz FYCSHTIPRVXOHO-YJBOKZPZSA-N 2 2 296.414 3.477 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367435388 234215565 /nfs/dbraw/zinc/21/55/65/234215565.db2.gz BRWOIDFAPAAKNK-SNVBAGLBSA-N 2 2 290.436 3.144 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292227832 198209615 /nfs/dbraw/zinc/20/96/15/198209615.db2.gz VNWCPYRIBTYIBW-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292227832 198209617 /nfs/dbraw/zinc/20/96/17/198209617.db2.gz VNWCPYRIBTYIBW-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292227832 198209619 /nfs/dbraw/zinc/20/96/19/198209619.db2.gz VNWCPYRIBTYIBW-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292227832 198209620 /nfs/dbraw/zinc/20/96/20/198209620.db2.gz VNWCPYRIBTYIBW-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103577 234283457 /nfs/dbraw/zinc/28/34/57/234283457.db2.gz XALUPHHKOSUYRC-WCQYABFASA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103577 234283461 /nfs/dbraw/zinc/28/34/61/234283461.db2.gz XALUPHHKOSUYRC-WCQYABFASA-N 2 2 287.432 3.340 20 0 CGADLP COC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153432356 188082050 /nfs/dbraw/zinc/08/20/50/188082050.db2.gz QQIUQEUJRWHYTH-LSDHHAIUSA-N 2 2 296.480 3.146 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000368229342 234293294 /nfs/dbraw/zinc/29/32/94/234293294.db2.gz SKMWYADBKRANPL-HNNXBMFYSA-N 2 2 277.371 3.210 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc3ccccc31)CC2 ZINC000368229342 234293297 /nfs/dbraw/zinc/29/32/97/234293297.db2.gz SKMWYADBKRANPL-HNNXBMFYSA-N 2 2 277.371 3.210 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621301 188154670 /nfs/dbraw/zinc/15/46/70/188154670.db2.gz ZVBXCAYNHJNEBA-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621301 188154671 /nfs/dbraw/zinc/15/46/71/188154671.db2.gz ZVBXCAYNHJNEBA-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000154770136 188160819 /nfs/dbraw/zinc/16/08/19/188160819.db2.gz ICZNCEVWLGVXFS-PBHICJAKSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000154770136 188160820 /nfs/dbraw/zinc/16/08/20/188160820.db2.gz ICZNCEVWLGVXFS-PBHICJAKSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000156084833 188242739 /nfs/dbraw/zinc/24/27/39/188242739.db2.gz SJOZSRSLMODMEY-CQSZACIVSA-N 2 2 284.407 3.396 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000156084833 188242741 /nfs/dbraw/zinc/24/27/41/188242741.db2.gz SJOZSRSLMODMEY-CQSZACIVSA-N 2 2 284.407 3.396 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cncs1 ZINC000156163842 188246100 /nfs/dbraw/zinc/24/61/00/188246100.db2.gz GJUNZRGYXMPBLM-NSHDSACASA-N 2 2 286.404 3.303 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000157426948 188317217 /nfs/dbraw/zinc/31/72/17/188317217.db2.gz MAYMPMORSGPRHI-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000157426948 188317218 /nfs/dbraw/zinc/31/72/18/188317218.db2.gz MAYMPMORSGPRHI-ZWNOBZJWSA-N 2 2 270.779 3.051 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccccn1 ZINC000158478420 188378607 /nfs/dbraw/zinc/37/86/07/188378607.db2.gz DRBYZOBYXSRTBT-AWEZNQCLSA-N 2 2 294.402 3.481 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CC2 ZINC000267170586 283001061 /nfs/dbraw/zinc/00/10/61/283001061.db2.gz UQUHIUOIAGBNPE-INIZCTEOSA-N 2 2 285.366 3.416 20 0 CGADLP Clc1cccc([C@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414068109 235328861 /nfs/dbraw/zinc/32/88/61/235328861.db2.gz QPHRCQWRRRVPKM-HOCLYGCPSA-N 2 2 289.810 3.462 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000414112801 235338808 /nfs/dbraw/zinc/33/88/08/235338808.db2.gz NKKRJYBRXNXISD-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000414112801 235338809 /nfs/dbraw/zinc/33/88/09/235338809.db2.gz NKKRJYBRXNXISD-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415040476 235516764 /nfs/dbraw/zinc/51/67/64/235516764.db2.gz OLMLCDXJMWFJPN-ZDUSSCGKSA-N 2 2 286.341 3.244 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000107804878 138358965 /nfs/dbraw/zinc/35/89/65/138358965.db2.gz WPLQUGVKNPLQBY-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000107804878 138358966 /nfs/dbraw/zinc/35/89/66/138358966.db2.gz WPLQUGVKNPLQBY-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000110212607 138362888 /nfs/dbraw/zinc/36/28/88/138362888.db2.gz IDZAMOIEIXYXTL-CQSZACIVSA-N 2 2 288.439 3.278 20 0 CGADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000110212607 138362889 /nfs/dbraw/zinc/36/28/89/138362889.db2.gz IDZAMOIEIXYXTL-CQSZACIVSA-N 2 2 288.439 3.278 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123745022 138369943 /nfs/dbraw/zinc/36/99/43/138369943.db2.gz MGEGEIPHKXIWRS-JKSUJKDBSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123745022 138369944 /nfs/dbraw/zinc/36/99/44/138369944.db2.gz MGEGEIPHKXIWRS-JKSUJKDBSA-N 2 2 283.419 3.436 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423235630 236005229 /nfs/dbraw/zinc/00/52/29/236005229.db2.gz GTCXJVDYHGJINI-JSGCOSHPSA-N 2 2 260.406 3.407 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CSCCc2ccccc21)c1ccccc1 ZINC000423249395 236009029 /nfs/dbraw/zinc/00/90/29/236009029.db2.gz SXYADOCRMSBPEO-ROUUACIJSA-N 2 2 298.455 3.307 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252559 236009804 /nfs/dbraw/zinc/00/98/04/236009804.db2.gz XPQPVRMMDSOPQJ-YPMHNXCESA-N 2 2 276.405 3.107 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc21 ZINC000423282272 236022228 /nfs/dbraw/zinc/02/22/28/236022228.db2.gz VSFCGXKJAUGDKF-AAEUAGOBSA-N 2 2 276.380 3.075 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286110 236023346 /nfs/dbraw/zinc/02/33/46/236023346.db2.gz ZQAXYNWYYLMNBB-NOZJJQNGSA-N 2 2 278.783 3.474 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423271116 236016324 /nfs/dbraw/zinc/01/63/24/236016324.db2.gz XGDWQTLMHDAVHP-ZIAGYGMSSA-N 2 2 264.413 3.109 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423273038 236017060 /nfs/dbraw/zinc/01/70/60/236017060.db2.gz KFEYEWJJNBFMBF-AAEUAGOBSA-N 2 2 286.366 3.230 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423362541 236050912 /nfs/dbraw/zinc/05/09/12/236050912.db2.gz BEJLEXYPNUVMKB-KSSFIOAISA-N 2 2 286.419 3.244 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423382456 236057195 /nfs/dbraw/zinc/05/71/95/236057195.db2.gz IPLBTDGUAIIJKI-RDJZCZTQSA-N 2 2 288.435 3.050 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423418473 236067952 /nfs/dbraw/zinc/06/79/52/236067952.db2.gz HZXGQLKLTMNFOV-MOPGFXCFSA-N 2 2 296.389 3.290 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423423192 236068724 /nfs/dbraw/zinc/06/87/24/236068724.db2.gz KXMPNXGUFXHJRC-XUJLQICISA-N 2 2 294.389 3.287 20 0 CGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000423443819 236072214 /nfs/dbraw/zinc/07/22/14/236072214.db2.gz XLNMIONQVWRAGJ-QAPCUYQASA-N 2 2 290.451 3.229 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CC4)CC2)cc1 ZINC000424188684 236131583 /nfs/dbraw/zinc/13/15/83/236131583.db2.gz YPFGRLVSEVBKNU-INIZCTEOSA-N 2 2 290.838 3.447 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427837934 236347842 /nfs/dbraw/zinc/34/78/42/236347842.db2.gz AQGSISPEXXGUBJ-HIFRSBDPSA-N 2 2 261.413 3.146 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3c2cccc3O)c[nH+]1 ZINC000428273443 236386387 /nfs/dbraw/zinc/38/63/87/236386387.db2.gz CZXBNTDWMPVRHZ-QGZVFWFLSA-N 2 2 282.387 3.305 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000423306993 283390610 /nfs/dbraw/zinc/39/06/10/283390610.db2.gz GABIXULIRFQOIM-HNNXBMFYSA-N 2 2 294.464 3.211 20 0 CGADLP [NH3+]C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000339407972 283415281 /nfs/dbraw/zinc/41/52/81/283415281.db2.gz SVZXMVBUTVLFTN-UHFFFAOYSA-N 2 2 287.234 3.349 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437104324 237252446 /nfs/dbraw/zinc/25/24/46/237252446.db2.gz DWVNZQGSNLMQJZ-UAGQMJEPSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCCCCOc2ccccc2)CCC[N@@H+]1C ZINC000437773352 237345452 /nfs/dbraw/zinc/34/54/52/237345452.db2.gz JDQJERYHSLXMRM-SJLPKXTDSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCCCCOc2ccccc2)CCC[N@H+]1C ZINC000437773352 237345460 /nfs/dbraw/zinc/34/54/60/237345460.db2.gz JDQJERYHSLXMRM-SJLPKXTDSA-N 2 2 290.451 3.308 20 0 CGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341895203 216141457 /nfs/dbraw/zinc/14/14/57/216141457.db2.gz NQVYEWFODUHTMY-YXJHDRRASA-N 2 2 299.418 3.338 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2ccccc2n1 ZINC000177332506 189044461 /nfs/dbraw/zinc/04/44/61/189044461.db2.gz RJWIKJCIWAHLFH-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2ccccc2n1 ZINC000177332506 189044462 /nfs/dbraw/zinc/04/44/62/189044462.db2.gz RJWIKJCIWAHLFH-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2n1 ZINC000177332506 189044463 /nfs/dbraw/zinc/04/44/63/189044463.db2.gz RJWIKJCIWAHLFH-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2n1 ZINC000177332506 189044464 /nfs/dbraw/zinc/04/44/64/189044464.db2.gz RJWIKJCIWAHLFH-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000341980713 216178075 /nfs/dbraw/zinc/17/80/75/216178075.db2.gz QZKPXNHHCMEVPO-ZBFHGGJFSA-N 2 2 278.465 3.083 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2cc(C)cc[nH+]2)c1C ZINC000178047811 189088244 /nfs/dbraw/zinc/08/82/44/189088244.db2.gz VILLKEZNCHKKGE-UHFFFAOYSA-N 2 2 271.364 3.047 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000181006774 189286225 /nfs/dbraw/zinc/28/62/25/189286225.db2.gz GNPGGIVMNILDON-SJORKVTESA-N 2 2 283.419 3.445 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000443195522 238513626 /nfs/dbraw/zinc/51/36/26/238513626.db2.gz KYEOJPLRXNEKMD-FMKPAKJESA-N 2 2 278.465 3.081 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]C(c1cccs1)c1cccs1 ZINC000119432244 370675493 /nfs/dbraw/zinc/67/54/93/370675493.db2.gz JRCJOCCFQXKPTM-UHFFFAOYSA-N 2 2 289.429 3.422 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000181599878 189302207 /nfs/dbraw/zinc/30/22/07/189302207.db2.gz MXSBOWRHGUBNQN-WCQYABFASA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000181599878 189302208 /nfs/dbraw/zinc/30/22/08/189302208.db2.gz MXSBOWRHGUBNQN-WCQYABFASA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1Cl ZINC000301550330 201064244 /nfs/dbraw/zinc/06/42/44/201064244.db2.gz YBXYISNMPQIUIQ-LLVKDONJSA-N 2 2 253.777 3.021 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1Cl ZINC000301550330 201064247 /nfs/dbraw/zinc/06/42/47/201064247.db2.gz YBXYISNMPQIUIQ-LLVKDONJSA-N 2 2 253.777 3.021 20 0 CGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610716 201094850 /nfs/dbraw/zinc/09/48/50/201094850.db2.gz CURBJKDKNVIIEI-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610716 201094853 /nfs/dbraw/zinc/09/48/53/201094853.db2.gz CURBJKDKNVIIEI-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183165597 189348244 /nfs/dbraw/zinc/34/82/44/189348244.db2.gz DMSXVQHXHLJYFC-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183165597 189348245 /nfs/dbraw/zinc/34/82/45/189348245.db2.gz DMSXVQHXHLJYFC-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP C[N@H+](CCCCc1ccccc1)CCCn1cc[nH+]c1 ZINC000183162957 189348633 /nfs/dbraw/zinc/34/86/33/189348633.db2.gz ZBIQOVCAOCPVIA-UHFFFAOYSA-N 2 2 271.408 3.228 20 0 CGADLP C[N@@H+](CCCCc1ccccc1)CCCn1cc[nH+]c1 ZINC000183162957 189348634 /nfs/dbraw/zinc/34/86/34/189348634.db2.gz ZBIQOVCAOCPVIA-UHFFFAOYSA-N 2 2 271.408 3.228 20 0 CGADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000301889464 201249629 /nfs/dbraw/zinc/24/96/29/201249629.db2.gz QJSWGUSEAPKHPI-INIZCTEOSA-N 2 2 298.365 3.417 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449018206 239115142 /nfs/dbraw/zinc/11/51/42/239115142.db2.gz RTRZZTUNZNMIIC-CQSZACIVSA-N 2 2 299.422 3.101 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449018206 239115146 /nfs/dbraw/zinc/11/51/46/239115146.db2.gz RTRZZTUNZNMIIC-CQSZACIVSA-N 2 2 299.422 3.101 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302043277 201317464 /nfs/dbraw/zinc/31/74/64/201317464.db2.gz XBFWIJUZLHSOOJ-CQSZACIVSA-N 2 2 296.418 3.286 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302043277 201317466 /nfs/dbraw/zinc/31/74/66/201317466.db2.gz XBFWIJUZLHSOOJ-CQSZACIVSA-N 2 2 296.418 3.286 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449188841 239233994 /nfs/dbraw/zinc/23/39/94/239233994.db2.gz GIMJLMBPKSVOOR-PEBVRCNWSA-N 2 2 294.389 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449188841 239233996 /nfs/dbraw/zinc/23/39/96/239233996.db2.gz GIMJLMBPKSVOOR-PEBVRCNWSA-N 2 2 294.389 3.141 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000449373419 239359504 /nfs/dbraw/zinc/35/95/04/239359504.db2.gz RGZPGOOJUYZSAY-GUTXKFCHSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1F ZINC000449373419 239359507 /nfs/dbraw/zinc/35/95/07/239359507.db2.gz RGZPGOOJUYZSAY-GUTXKFCHSA-N 2 2 276.399 3.410 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450632776 240010866 /nfs/dbraw/zinc/01/08/66/240010866.db2.gz SLJSCYPCFANCJF-PQUAAJSLSA-N 2 2 287.451 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450632776 240010870 /nfs/dbraw/zinc/01/08/70/240010870.db2.gz SLJSCYPCFANCJF-PQUAAJSLSA-N 2 2 287.451 3.255 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@H](CC2CC2)C1 ZINC000451073146 240211471 /nfs/dbraw/zinc/21/14/71/240211471.db2.gz ILPCHTISCQODOA-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@H](CC2CC2)C1 ZINC000451073146 240211473 /nfs/dbraw/zinc/21/14/73/240211473.db2.gz ILPCHTISCQODOA-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000451073146 240211477 /nfs/dbraw/zinc/21/14/77/240211477.db2.gz ILPCHTISCQODOA-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000451073146 240211480 /nfs/dbraw/zinc/21/14/80/240211480.db2.gz ILPCHTISCQODOA-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CSC[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068575 240211508 /nfs/dbraw/zinc/21/15/08/240211508.db2.gz QKGCSNLHTOTKDR-HOTGVXAUSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068575 240211510 /nfs/dbraw/zinc/21/15/10/240211510.db2.gz QKGCSNLHTOTKDR-HOTGVXAUSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000451068575 240211515 /nfs/dbraw/zinc/21/15/15/240211515.db2.gz QKGCSNLHTOTKDR-HOTGVXAUSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000451068575 240211518 /nfs/dbraw/zinc/21/15/18/240211518.db2.gz QKGCSNLHTOTKDR-HOTGVXAUSA-N 2 2 284.513 3.324 20 0 CGADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000451509811 240315169 /nfs/dbraw/zinc/31/51/69/240315169.db2.gz ZKNSBMXRYXPDID-KBRIMQKVSA-N 2 2 299.418 3.021 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000120672784 370790197 /nfs/dbraw/zinc/79/01/97/370790197.db2.gz MGXAMOXEDIGONT-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP COC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000275857072 193148055 /nfs/dbraw/zinc/14/80/55/193148055.db2.gz MDRKOJUMZSMTQT-MRXNPFEDSA-N 2 2 291.439 3.069 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398193 242098711 /nfs/dbraw/zinc/09/87/11/242098711.db2.gz AHIUTUMCYFXVNJ-KDOFPFPSSA-N 2 2 299.418 3.054 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398193 242098716 /nfs/dbraw/zinc/09/87/16/242098716.db2.gz AHIUTUMCYFXVNJ-KDOFPFPSSA-N 2 2 299.418 3.054 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc2c(s1)CCC2 ZINC000459633771 242156077 /nfs/dbraw/zinc/15/60/77/242156077.db2.gz LSCJPUMYKWARDK-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc2c(s1)CCC2 ZINC000459633771 242156099 /nfs/dbraw/zinc/15/60/99/242156099.db2.gz LSCJPUMYKWARDK-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H](C)C1CCCCC1 ZINC000459660361 242166795 /nfs/dbraw/zinc/16/67/95/242166795.db2.gz LFWQENPPNLKLEK-ZIAGYGMSSA-N 2 2 263.429 3.157 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459732626 242197447 /nfs/dbraw/zinc/19/74/47/242197447.db2.gz JHOOPUNQBLPASM-UHFFFAOYSA-N 2 2 273.355 3.127 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459732626 242197449 /nfs/dbraw/zinc/19/74/49/242197449.db2.gz JHOOPUNQBLPASM-UHFFFAOYSA-N 2 2 273.355 3.127 20 0 CGADLP CC[N@@H+]1CCCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460937776 242287834 /nfs/dbraw/zinc/28/78/34/242287834.db2.gz IQWGNSZYTQZSAC-UHFFFAOYSA-N 2 2 283.419 3.384 20 0 CGADLP CC[N@H+]1CCCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460937776 242287835 /nfs/dbraw/zinc/28/78/35/242287835.db2.gz IQWGNSZYTQZSAC-UHFFFAOYSA-N 2 2 283.419 3.384 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408192 243101566 /nfs/dbraw/zinc/10/15/66/243101566.db2.gz HIABCUBNKLEGPE-DYVFJYSZSA-N 2 2 296.405 3.217 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000479408192 243101570 /nfs/dbraw/zinc/10/15/70/243101570.db2.gz HIABCUBNKLEGPE-DYVFJYSZSA-N 2 2 296.405 3.217 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2C)[NH+]1CCCC1 ZINC000480794925 243165316 /nfs/dbraw/zinc/16/53/16/243165316.db2.gz LEHFYOKJBDRWGJ-CRAIPNDOSA-N 2 2 272.436 3.446 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C(C)C)[NH+](C)C)cc1 ZINC000479851774 243128363 /nfs/dbraw/zinc/12/83/63/243128363.db2.gz NVNVWDKYBBNRKF-WMLDXEAASA-N 2 2 262.441 3.486 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000486932170 243380013 /nfs/dbraw/zinc/38/00/13/243380013.db2.gz GFFSNPZHTHHYBL-ZFWWWQNUSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C/C=C/c1ccncc1 ZINC000486968249 243389192 /nfs/dbraw/zinc/38/91/92/243389192.db2.gz NRDVUHRIFCRRQQ-SNAWJCMRSA-N 2 2 292.386 3.043 20 0 CGADLP Cc1ccc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124226957 370923060 /nfs/dbraw/zinc/92/30/60/370923060.db2.gz BKCDEDQSQLZJNS-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1ccc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124226957 370923065 /nfs/dbraw/zinc/92/30/65/370923065.db2.gz BKCDEDQSQLZJNS-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000123146588 370910013 /nfs/dbraw/zinc/91/00/13/370910013.db2.gz VKPATTVNUUBDGG-GUYCJALGSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000123146588 370910014 /nfs/dbraw/zinc/91/00/14/370910014.db2.gz VKPATTVNUUBDGG-GUYCJALGSA-N 2 2 254.377 3.195 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000022935956 368813587 /nfs/dbraw/zinc/81/35/87/368813587.db2.gz RFBHIDOQHRIETC-KRWDZBQOSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000022935956 368813592 /nfs/dbraw/zinc/81/35/92/368813592.db2.gz RFBHIDOQHRIETC-KRWDZBQOSA-N 2 2 268.404 3.414 20 0 CGADLP CC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000036406991 369022799 /nfs/dbraw/zinc/02/27/99/369022799.db2.gz YQLAOXUXLWDNGH-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000035043459 368992317 /nfs/dbraw/zinc/99/23/17/368992317.db2.gz RRKOKSPOOWWFEI-CQSZACIVSA-N 2 2 280.412 3.046 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157387 369072084 /nfs/dbraw/zinc/07/20/84/369072084.db2.gz QCTWBKFFXOQXFK-CABCVRRESA-N 2 2 287.407 3.411 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000037267121 369080413 /nfs/dbraw/zinc/08/04/13/369080413.db2.gz RICWAXDKZQNIRX-NSHDSACASA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649232 369098122 /nfs/dbraw/zinc/09/81/22/369098122.db2.gz XPTMQAQEACZGNA-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649232 369098126 /nfs/dbraw/zinc/09/81/26/369098126.db2.gz XPTMQAQEACZGNA-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000041063994 369170204 /nfs/dbraw/zinc/17/02/04/369170204.db2.gz APNUAQWKKNBKBN-SIGVMEELSA-N 2 2 273.424 3.078 20 0 CGADLP Clc1ccc2c(NCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000041063101 369170693 /nfs/dbraw/zinc/17/06/93/369170693.db2.gz MEQXXGUXQHVBRJ-UHFFFAOYSA-N 2 2 272.739 3.197 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119438 369174056 /nfs/dbraw/zinc/17/40/56/369174056.db2.gz PXCISHINDFJWFR-MRXNPFEDSA-N 2 2 257.381 3.186 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000040771895 369162704 /nfs/dbraw/zinc/16/27/04/369162704.db2.gz NYYIHCRRYXTWGC-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000042176928 369202696 /nfs/dbraw/zinc/20/26/96/369202696.db2.gz UXQGNBXVMPUZML-UHFFFAOYSA-N 2 2 255.365 3.295 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000493905363 244250606 /nfs/dbraw/zinc/25/06/06/244250606.db2.gz HOTKDGBFTVUHQJ-MRXNPFEDSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685373 369267198 /nfs/dbraw/zinc/26/71/98/369267198.db2.gz HNQMKXPORRSCQV-WCQYABFASA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685373 369267204 /nfs/dbraw/zinc/26/72/04/369267204.db2.gz HNQMKXPORRSCQV-WCQYABFASA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000045663089 369283978 /nfs/dbraw/zinc/28/39/78/369283978.db2.gz ZJQMEJWYFGXUTK-GFCCVEGCSA-N 2 2 254.805 3.332 20 0 CGADLP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000045663722 369283988 /nfs/dbraw/zinc/28/39/88/369283988.db2.gz NULLOFRBTAVDOL-OAHLLOKOSA-N 2 2 294.439 3.086 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495095813 244356933 /nfs/dbraw/zinc/35/69/33/244356933.db2.gz YQACBCQSEGIWKM-BSXFFOKHSA-N 2 2 287.451 3.241 20 0 CGADLP CCSCC[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000276157332 193229123 /nfs/dbraw/zinc/22/91/23/193229123.db2.gz FPGOLNMGECZDKR-ZFWWWQNUSA-N 2 2 266.454 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000422764436 296145019 /nfs/dbraw/zinc/14/50/19/296145019.db2.gz POLXSMNPUZFFDO-DTWKUNHWSA-N 2 2 273.207 3.252 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000063191417 369641917 /nfs/dbraw/zinc/64/19/17/369641917.db2.gz VVQRKFKULFTPBP-DOMZBBRYSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000063191417 369641922 /nfs/dbraw/zinc/64/19/22/369641922.db2.gz VVQRKFKULFTPBP-DOMZBBRYSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000070074618 369779742 /nfs/dbraw/zinc/77/97/42/369779742.db2.gz FGVHFQCVPBMIEU-AAEUAGOBSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070074618 369779745 /nfs/dbraw/zinc/77/97/45/369779745.db2.gz FGVHFQCVPBMIEU-AAEUAGOBSA-N 2 2 297.240 3.008 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000070149986 369782838 /nfs/dbraw/zinc/78/28/38/369782838.db2.gz CDPUBMJDZICUOC-HNNXBMFYSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000070149986 369782843 /nfs/dbraw/zinc/78/28/43/369782843.db2.gz CDPUBMJDZICUOC-HNNXBMFYSA-N 2 2 285.391 3.045 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081637636 369998516 /nfs/dbraw/zinc/99/85/16/369998516.db2.gz NFXAJHDYOLOWAO-CVEARBPZSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644462 370149682 /nfs/dbraw/zinc/14/96/82/370149682.db2.gz IMBRTRBMSINUEG-NHIYQJMISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644462 370149687 /nfs/dbraw/zinc/14/96/87/370149687.db2.gz IMBRTRBMSINUEG-NHIYQJMISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644462 370149693 /nfs/dbraw/zinc/14/96/93/370149693.db2.gz IMBRTRBMSINUEG-NHIYQJMISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644462 370149695 /nfs/dbraw/zinc/14/96/95/370149695.db2.gz IMBRTRBMSINUEG-NHIYQJMISA-N 2 2 276.424 3.318 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093645148 370153866 /nfs/dbraw/zinc/15/38/66/370153866.db2.gz NGLMPMKJZWEQLF-DLBZAZTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093645148 370153867 /nfs/dbraw/zinc/15/38/67/370153867.db2.gz NGLMPMKJZWEQLF-DLBZAZTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093645148 370153868 /nfs/dbraw/zinc/15/38/68/370153868.db2.gz NGLMPMKJZWEQLF-DLBZAZTESA-N 2 2 291.483 3.449 20 0 CGADLP CC(C)CCn1cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093645148 370153869 /nfs/dbraw/zinc/15/38/69/370153869.db2.gz NGLMPMKJZWEQLF-DLBZAZTESA-N 2 2 291.483 3.449 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)c1ccccc1N(C)C)[NH+]1CCCC1 ZINC000093942221 370164541 /nfs/dbraw/zinc/16/45/41/370164541.db2.gz MZUMJJXOKDXXGK-HZPDHXFCSA-N 2 2 289.467 3.278 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000276961555 193514737 /nfs/dbraw/zinc/51/47/37/193514737.db2.gz WPQKMSCRQJFVQC-CYBMUJFWSA-N 2 2 250.386 3.052 20 0 CGADLP c1[nH]c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000112338809 370420278 /nfs/dbraw/zinc/42/02/78/370420278.db2.gz PYUBISOKKIMHKG-GOSISDBHSA-N 2 2 277.371 3.483 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000113458337 370474461 /nfs/dbraw/zinc/47/44/61/370474461.db2.gz ZHVQNQIHYWPOHC-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000113458337 370474465 /nfs/dbraw/zinc/47/44/65/370474465.db2.gz ZHVQNQIHYWPOHC-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755187 370511134 /nfs/dbraw/zinc/51/11/34/370511134.db2.gz QUARRSZTCDLTEE-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755187 370511140 /nfs/dbraw/zinc/51/11/40/370511140.db2.gz QUARRSZTCDLTEE-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000119059620 370640484 /nfs/dbraw/zinc/64/04/84/370640484.db2.gz UXOHJZIFANJYEK-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000130322417 371024780 /nfs/dbraw/zinc/02/47/80/371024780.db2.gz NCHYUKIHLLBFLB-GJZGRUSLSA-N 2 2 257.381 3.239 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)c2ccccc21 ZINC000131956957 371141810 /nfs/dbraw/zinc/14/18/10/371141810.db2.gz LXSDVUVWOSWOJJ-JKSUJKDBSA-N 2 2 256.324 3.060 20 0 CGADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000131471402 371110625 /nfs/dbraw/zinc/11/06/25/371110625.db2.gz MELZWPNDJUFVOA-WBVHZDCISA-N 2 2 269.392 3.009 20 0 CGADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000131471402 371110634 /nfs/dbraw/zinc/11/06/34/371110634.db2.gz MELZWPNDJUFVOA-WBVHZDCISA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564479 371116466 /nfs/dbraw/zinc/11/64/66/371116466.db2.gz KQIPRJWFUGQKQZ-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564479 371116469 /nfs/dbraw/zinc/11/64/69/371116469.db2.gz KQIPRJWFUGQKQZ-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000020190174 541855319 /nfs/dbraw/zinc/85/53/19/541855319.db2.gz ONQIGYCATWWQAQ-NSHDSACASA-N 2 2 281.469 3.285 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421804201 371637058 /nfs/dbraw/zinc/63/70/58/371637058.db2.gz SXMGHRKVQXHPCP-LBPRGKRZSA-N 2 2 269.820 3.118 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000421818656 371640818 /nfs/dbraw/zinc/64/08/18/371640818.db2.gz BWRCPHNINAEIHH-BDJLRTHQSA-N 2 2 298.833 3.340 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000151911102 371651709 /nfs/dbraw/zinc/65/17/09/371651709.db2.gz UMVSPFFDUYADOR-GFCCVEGCSA-N 2 2 286.366 3.199 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000421838801 371661805 /nfs/dbraw/zinc/66/18/05/371661805.db2.gz VQAAZBMDPXNYDN-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000421838801 371661806 /nfs/dbraw/zinc/66/18/06/371661806.db2.gz VQAAZBMDPXNYDN-CVEARBPZSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000152808664 371725925 /nfs/dbraw/zinc/72/59/25/371725925.db2.gz QLXNTPYPONKYFV-ZDUSSCGKSA-N 2 2 287.382 3.252 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422698271 371756877 /nfs/dbraw/zinc/75/68/77/371756877.db2.gz YKZLQQNKUYGASN-YOEHRIQHSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422698270 371757760 /nfs/dbraw/zinc/75/77/60/371757760.db2.gz YKZLQQNKUYGASN-WMLDXEAASA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000344035496 217021764 /nfs/dbraw/zinc/02/17/64/217021764.db2.gz RNZNIKJBLSSUJT-UUAJXVIYSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000344035496 217021766 /nfs/dbraw/zinc/02/17/66/217021766.db2.gz RNZNIKJBLSSUJT-UUAJXVIYSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000422772231 371797095 /nfs/dbraw/zinc/79/70/95/371797095.db2.gz SCCOACGHTYOKJB-RHSMWYFYSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422783672 371806792 /nfs/dbraw/zinc/80/67/92/371806792.db2.gz OQJQGOVNPBLAOP-SNVBAGLBSA-N 2 2 295.308 3.364 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422788534 371808177 /nfs/dbraw/zinc/80/81/77/371808177.db2.gz VNHUHIULZJHJCY-DLBZAZTESA-N 2 2 282.387 3.448 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCC1 ZINC000422819504 371828997 /nfs/dbraw/zinc/82/89/97/371828997.db2.gz NBCUYTHMOBGQGQ-KURKYZTESA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(SC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422882762 371851768 /nfs/dbraw/zinc/85/17/68/371851768.db2.gz TWSKVKNRSBDROC-CABCVRRESA-N 2 2 264.438 3.029 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000154540022 371855296 /nfs/dbraw/zinc/85/52/96/371855296.db2.gz ZGJJHWNWTAYAJC-OLZOCXBDSA-N 2 2 298.377 3.341 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000154540022 371855304 /nfs/dbraw/zinc/85/53/04/371855304.db2.gz ZGJJHWNWTAYAJC-OLZOCXBDSA-N 2 2 298.377 3.341 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000422890964 371857996 /nfs/dbraw/zinc/85/79/96/371857996.db2.gz JTBRHPAVSXAHII-NWDGAFQWSA-N 2 2 267.442 3.016 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154606313 371861281 /nfs/dbraw/zinc/86/12/81/371861281.db2.gz XYRPOAYQYDVLEJ-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948747 371887183 /nfs/dbraw/zinc/88/71/83/371887183.db2.gz SUSOYUJGQRBJJQ-KDOFPFPSSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCSCC1 ZINC000289964703 371865091 /nfs/dbraw/zinc/86/50/91/371865091.db2.gz BKGZECLYUIPKJE-UHFFFAOYSA-N 2 2 264.438 3.055 20 0 CGADLP COC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000289971099 371866947 /nfs/dbraw/zinc/86/69/47/371866947.db2.gz BRUVZNJYQYCGCQ-SFHVURJKSA-N 2 2 284.403 3.300 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1c(F)cncc1F ZINC000289981593 371868228 /nfs/dbraw/zinc/86/82/28/371868228.db2.gz ZTHWPMVSUDKDNW-GFCCVEGCSA-N 2 2 291.345 3.347 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000289996649 371874819 /nfs/dbraw/zinc/87/48/19/371874819.db2.gz KTZUUYLXXGRQMD-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000289996649 371874824 /nfs/dbraw/zinc/87/48/24/371874824.db2.gz KTZUUYLXXGRQMD-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423069891 371945187 /nfs/dbraw/zinc/94/51/87/371945187.db2.gz FIMABMCYKYTBDJ-DYVFJYSZSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423000214 371907100 /nfs/dbraw/zinc/90/71/00/371907100.db2.gz UTDXYMBIFWWVBF-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423016857 371916012 /nfs/dbraw/zinc/91/60/12/371916012.db2.gz NLJNHUKLRGAZTK-IAGOWNOFSA-N 2 2 286.350 3.069 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423014414 371916531 /nfs/dbraw/zinc/91/65/31/371916531.db2.gz IMILAXSPFOJVFQ-RZAIGCCYSA-N 2 2 281.403 3.439 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1c(C)noc1C ZINC000423015976 371916799 /nfs/dbraw/zinc/91/67/99/371916799.db2.gz RYNCSXXMIRLZMU-OWCLPIDISA-N 2 2 285.391 3.477 20 0 CGADLP CC(C)(C)C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC000423047699 371933651 /nfs/dbraw/zinc/93/36/51/371933651.db2.gz VKNACWPBFVGGTM-HTAVTVPLSA-N 2 2 280.378 3.461 20 0 CGADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290305431 371958315 /nfs/dbraw/zinc/95/83/15/371958315.db2.gz BQKBWWGJXGNOHV-MRXNPFEDSA-N 2 2 280.375 3.312 20 0 CGADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000290305431 371958322 /nfs/dbraw/zinc/95/83/22/371958322.db2.gz BQKBWWGJXGNOHV-MRXNPFEDSA-N 2 2 280.375 3.312 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423093955 371958937 /nfs/dbraw/zinc/95/89/37/371958937.db2.gz AUWNHLMQMDVSPZ-XUJVJEKNSA-N 2 2 264.438 3.200 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000156196363 371968425 /nfs/dbraw/zinc/96/84/25/371968425.db2.gz JJFMVSYYMXHPOC-IAGOWNOFSA-N 2 2 278.440 3.084 20 0 CGADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccncc1 ZINC000290354400 371969595 /nfs/dbraw/zinc/96/95/95/371969595.db2.gz MDOKNHNCFLSHCY-KRWDZBQOSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@H]1CCCC[NH2+]1 ZINC000423122778 371976308 /nfs/dbraw/zinc/97/63/08/371976308.db2.gz CXJMKXPNXSAIHV-SJKOYZFVSA-N 2 2 276.399 3.323 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000423139402 371987055 /nfs/dbraw/zinc/98/70/55/371987055.db2.gz ZTBFFJKLWZRIKV-GJZGRUSLSA-N 2 2 285.391 3.170 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452448 371992150 /nfs/dbraw/zinc/99/21/50/371992150.db2.gz MLGJQULQKZUYAA-RISCZKNCSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452448 371992158 /nfs/dbraw/zinc/99/21/58/371992158.db2.gz MLGJQULQKZUYAA-RISCZKNCSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Cl)c1F ZINC000290452448 371992164 /nfs/dbraw/zinc/99/21/64/371992164.db2.gz MLGJQULQKZUYAA-RISCZKNCSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Cl)c1F ZINC000290452448 371992170 /nfs/dbraw/zinc/99/21/70/371992170.db2.gz MLGJQULQKZUYAA-RISCZKNCSA-N 2 2 284.806 3.251 20 0 CGADLP CCCc1ncc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423169585 371999475 /nfs/dbraw/zinc/99/94/75/371999475.db2.gz ZJNPXLOFNTZYRY-UONOGXRCSA-N 2 2 279.428 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423196226 372021619 /nfs/dbraw/zinc/02/16/19/372021619.db2.gz UXGSSVPRFNMDRW-IUODEOHRSA-N 2 2 268.351 3.004 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423197809 372022093 /nfs/dbraw/zinc/02/20/93/372022093.db2.gz BHWYJRSLAPALGM-GFCCVEGCSA-N 2 2 275.421 3.070 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423232554 372041936 /nfs/dbraw/zinc/04/19/36/372041936.db2.gz IMQIEOWNUXEPBJ-HOSYDEDBSA-N 2 2 268.451 3.015 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423304627 372049593 /nfs/dbraw/zinc/04/95/93/372049593.db2.gz ZHEVFKJBOKJRPT-DOMZBBRYSA-N 2 2 294.464 3.339 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423355426 372054064 /nfs/dbraw/zinc/05/40/64/372054064.db2.gz FKRDNNWVEVOFLR-YOENINGUSA-N 2 2 258.409 3.131 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423374935 372056233 /nfs/dbraw/zinc/05/62/33/372056233.db2.gz UCUCFHYWNFEXKT-XHDPSFHLSA-N 2 2 260.381 3.457 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423381526 372058655 /nfs/dbraw/zinc/05/86/55/372058655.db2.gz NOKXGORFRXJIKE-ZWNOBZJWSA-N 2 2 284.856 3.465 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178016 372007326 /nfs/dbraw/zinc/00/73/26/372007326.db2.gz BLFWWFITFHEHNA-IAQYHMDHSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423183780 372011491 /nfs/dbraw/zinc/01/14/91/372011491.db2.gz HPRXWGKBEMVFCG-RBUKOAKNSA-N 2 2 280.415 3.426 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423186025 372012409 /nfs/dbraw/zinc/01/24/09/372012409.db2.gz JUOQUSZOUDKHFA-DLBZAZTESA-N 2 2 258.409 3.178 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000158656810 372077367 /nfs/dbraw/zinc/07/73/67/372077367.db2.gz PNWNURRQAJKFFN-OAGGEKHMSA-N 2 2 275.440 3.100 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672417 541868699 /nfs/dbraw/zinc/86/86/99/541868699.db2.gz LVDNVCNIXGMNAA-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672417 541868702 /nfs/dbraw/zinc/86/87/02/541868702.db2.gz LVDNVCNIXGMNAA-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702465 372172854 /nfs/dbraw/zinc/17/28/54/372172854.db2.gz ZCOZEGNCTFLDCP-WMZOPIPTSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702465 372172858 /nfs/dbraw/zinc/17/28/58/372172858.db2.gz ZCOZEGNCTFLDCP-WMZOPIPTSA-N 2 2 281.403 3.209 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(Br)c1 ZINC000159299153 372128911 /nfs/dbraw/zinc/12/89/11/372128911.db2.gz ZEJRMGPOVDYPIT-GFCCVEGCSA-N 2 2 299.256 3.187 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCOC[C@@H]3C)cc2)c1C ZINC000291176884 372131444 /nfs/dbraw/zinc/13/14/44/372131444.db2.gz FEXZANJSYFUWPU-YVEFUNNKSA-N 2 2 285.391 3.326 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671870 541868798 /nfs/dbraw/zinc/86/87/98/541868798.db2.gz JKOVFBHEYKBWQO-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671870 541868800 /nfs/dbraw/zinc/86/88/00/541868800.db2.gz JKOVFBHEYKBWQO-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)n2c1 ZINC000292765148 372204237 /nfs/dbraw/zinc/20/42/37/372204237.db2.gz JUPVSOFGSAFACW-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)n2c1 ZINC000292765148 372204244 /nfs/dbraw/zinc/20/42/44/372204244.db2.gz JUPVSOFGSAFACW-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293542489 372406893 /nfs/dbraw/zinc/40/68/93/372406893.db2.gz KJHZXIPNJWJETL-CYBMUJFWSA-N 2 2 296.842 3.256 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293542489 372406895 /nfs/dbraw/zinc/40/68/95/372406895.db2.gz KJHZXIPNJWJETL-CYBMUJFWSA-N 2 2 296.842 3.256 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430953351 372409802 /nfs/dbraw/zinc/40/98/02/372409802.db2.gz GUWFYJCEXYTZLA-WKPIXPDZSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430953351 372409809 /nfs/dbraw/zinc/40/98/09/372409809.db2.gz GUWFYJCEXYTZLA-WKPIXPDZSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000163394403 372467265 /nfs/dbraw/zinc/46/72/65/372467265.db2.gz BLCRKLIHOFIETF-GFCCVEGCSA-N 2 2 266.351 3.183 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000163810967 372493162 /nfs/dbraw/zinc/49/31/62/372493162.db2.gz IGHNSGUBPHHBOM-RDTXWAMCSA-N 2 2 281.403 3.407 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000166509644 372576235 /nfs/dbraw/zinc/57/62/35/372576235.db2.gz RQOJTUQWXKIJNP-WFASDCNBSA-N 2 2 261.344 3.152 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000167871699 372603681 /nfs/dbraw/zinc/60/36/81/372603681.db2.gz ITFPIQCIKRSVLW-NVXWUHKLSA-N 2 2 292.467 3.376 20 0 CGADLP C[C@@H]([NH2+]CCOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170999471 372698900 /nfs/dbraw/zinc/69/89/00/372698900.db2.gz DIPRFYIBNNQOKQ-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241219 372714521 /nfs/dbraw/zinc/71/45/21/372714521.db2.gz DZAONRDABDASAJ-JSGCOSHPSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241219 372714526 /nfs/dbraw/zinc/71/45/26/372714526.db2.gz DZAONRDABDASAJ-JSGCOSHPSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241219 372714534 /nfs/dbraw/zinc/71/45/34/372714534.db2.gz DZAONRDABDASAJ-JSGCOSHPSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241219 372714536 /nfs/dbraw/zinc/71/45/36/372714536.db2.gz DZAONRDABDASAJ-JSGCOSHPSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435626849 372786402 /nfs/dbraw/zinc/78/64/02/372786402.db2.gz LRGPFENFLBXBLA-ZDUSSCGKSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435626849 372786410 /nfs/dbraw/zinc/78/64/10/372786410.db2.gz LRGPFENFLBXBLA-ZDUSSCGKSA-N 2 2 295.496 3.405 20 0 CGADLP CCCCc1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435623504 372787156 /nfs/dbraw/zinc/78/71/56/372787156.db2.gz VMDIXCYZYGOCPV-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP CCCCc1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435623504 372787161 /nfs/dbraw/zinc/78/71/61/372787161.db2.gz VMDIXCYZYGOCPV-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000353447578 220087388 /nfs/dbraw/zinc/08/73/88/220087388.db2.gz ISIUUKIUFMIBEL-AWEZNQCLSA-N 2 2 287.382 3.491 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000353447578 220087390 /nfs/dbraw/zinc/08/73/90/220087390.db2.gz ISIUUKIUFMIBEL-AWEZNQCLSA-N 2 2 287.382 3.491 20 0 CGADLP Cc1ncc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000353448642 220089232 /nfs/dbraw/zinc/08/92/32/220089232.db2.gz LEDJJBGLHMDREK-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1ncc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000353448642 220089236 /nfs/dbraw/zinc/08/92/36/220089236.db2.gz LEDJJBGLHMDREK-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP CC[NH+](CC)CCCCNc1cc[nH+]c(C(C)C)n1 ZINC000171878882 372845082 /nfs/dbraw/zinc/84/50/82/372845082.db2.gz VQYAXDCHINUNSR-UHFFFAOYSA-N 2 2 264.417 3.134 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCCCOc1ccccc1 ZINC000438082078 372872074 /nfs/dbraw/zinc/87/20/74/372872074.db2.gz AOCWZXPFYSLLBH-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000438193001 372910176 /nfs/dbraw/zinc/91/01/76/372910176.db2.gz RYUZOHFEWHZBSK-GDBMZVCRSA-N 2 2 278.415 3.221 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000438193001 372910183 /nfs/dbraw/zinc/91/01/83/372910183.db2.gz RYUZOHFEWHZBSK-GDBMZVCRSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@@H](COC)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295975739 372981582 /nfs/dbraw/zinc/98/15/82/372981582.db2.gz IZTMYWHHLSLUCQ-LBPRGKRZSA-N 2 2 293.798 3.040 20 0 CGADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000438461762 372957748 /nfs/dbraw/zinc/95/77/48/372957748.db2.gz GODPHIKKEZLWPU-GFCCVEGCSA-N 2 2 285.313 3.401 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000062077317 541885493 /nfs/dbraw/zinc/88/54/93/541885493.db2.gz YVJJNSREGVWCTG-NWDGAFQWSA-N 2 2 281.469 3.142 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442717135 373070392 /nfs/dbraw/zinc/07/03/92/373070392.db2.gz OUKIEGFSXSJCTP-UHFFFAOYSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000173311640 373122703 /nfs/dbraw/zinc/12/27/03/373122703.db2.gz FYCUNNBDWPEZGW-CQSZACIVSA-N 2 2 265.360 3.228 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000173893643 373212117 /nfs/dbraw/zinc/21/21/17/373212117.db2.gz UAACGCOUEYHSQI-AWEZNQCLSA-N 2 2 296.455 3.191 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000173893643 373212128 /nfs/dbraw/zinc/21/21/28/373212128.db2.gz UAACGCOUEYHSQI-AWEZNQCLSA-N 2 2 296.455 3.191 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000173893643 373212134 /nfs/dbraw/zinc/21/21/34/373212134.db2.gz UAACGCOUEYHSQI-AWEZNQCLSA-N 2 2 296.455 3.191 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000173893643 373212144 /nfs/dbraw/zinc/21/21/44/373212144.db2.gz UAACGCOUEYHSQI-AWEZNQCLSA-N 2 2 296.455 3.191 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)co2)cc1 ZINC000353574014 220166719 /nfs/dbraw/zinc/16/67/19/220166719.db2.gz ZCFNHHSODQVZAF-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)co2)cc1 ZINC000353574014 220166723 /nfs/dbraw/zinc/16/67/23/220166723.db2.gz ZCFNHHSODQVZAF-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1cc[nH+]cc1CCCN1CC[N@@H+](C)Cc2ccccc21 ZINC000353589126 220177283 /nfs/dbraw/zinc/17/72/83/220177283.db2.gz ONPQAGLXWCCSNP-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1cc[nH+]cc1CCCN1CC[N@H+](C)Cc2ccccc21 ZINC000353589126 220177287 /nfs/dbraw/zinc/17/72/87/220177287.db2.gz ONPQAGLXWCCSNP-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174557347 373337656 /nfs/dbraw/zinc/33/76/56/373337656.db2.gz CGQRGGIOWBYRRQ-AWEZNQCLSA-N 2 2 287.407 3.166 20 0 CGADLP Cc1nc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000174678719 373353373 /nfs/dbraw/zinc/35/33/73/373353373.db2.gz INCQRVQMUACFES-UHFFFAOYSA-N 2 2 296.418 3.034 20 0 CGADLP Cc1nc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000174678719 373353381 /nfs/dbraw/zinc/35/33/81/373353381.db2.gz INCQRVQMUACFES-UHFFFAOYSA-N 2 2 296.418 3.034 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCCC34CCC4)c2)c[nH+]1 ZINC000446855207 373371491 /nfs/dbraw/zinc/37/14/91/373371491.db2.gz HPJUWTQFATZCEZ-UHFFFAOYSA-N 2 2 273.405 3.452 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCCC34CCC4)c2)c[nH+]1 ZINC000446855207 373371496 /nfs/dbraw/zinc/37/14/96/373371496.db2.gz HPJUWTQFATZCEZ-UHFFFAOYSA-N 2 2 273.405 3.452 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCN(C)c3ccccc3C2)c[nH+]1 ZINC000353615494 220191778 /nfs/dbraw/zinc/19/17/78/220191778.db2.gz LVPSAQQEWGWYNI-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCN(C)c3ccccc3C2)c[nH+]1 ZINC000353615494 220191779 /nfs/dbraw/zinc/19/17/79/220191779.db2.gz LVPSAQQEWGWYNI-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447595890 373461722 /nfs/dbraw/zinc/46/17/22/373461722.db2.gz AZVQBCZDWOQLSY-RDTXWAMCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447595890 373461725 /nfs/dbraw/zinc/46/17/25/373461725.db2.gz AZVQBCZDWOQLSY-RDTXWAMCSA-N 2 2 288.410 3.420 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447946404 373526984 /nfs/dbraw/zinc/52/69/84/373526984.db2.gz VASVHIDESFQNFT-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447946404 373526994 /nfs/dbraw/zinc/52/69/94/373526994.db2.gz VASVHIDESFQNFT-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000176748044 373628446 /nfs/dbraw/zinc/62/84/46/373628446.db2.gz SXXBYJDKVFOBPZ-ZDUSSCGKSA-N 2 2 278.359 3.323 20 0 CGADLP Cc1ccc(CCC[N@H+](CCCO)Cc2ccccc2)c[nH+]1 ZINC000353645422 220220269 /nfs/dbraw/zinc/22/02/69/220220269.db2.gz AFAAKLLJGPHPPK-UHFFFAOYSA-N 2 2 298.430 3.207 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCCO)Cc2ccccc2)c[nH+]1 ZINC000353645422 220220274 /nfs/dbraw/zinc/22/02/74/220220274.db2.gz AFAAKLLJGPHPPK-UHFFFAOYSA-N 2 2 298.430 3.207 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCOCc2ccccc2)c[nH+]1 ZINC000353644582 220219105 /nfs/dbraw/zinc/21/91/05/220219105.db2.gz ABPXCJOFHZYCOF-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCOCc2ccccc2)c[nH+]1 ZINC000353644582 220219107 /nfs/dbraw/zinc/21/91/07/220219107.db2.gz ABPXCJOFHZYCOF-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCCC12CCC2)[NH+]1CCCC1 ZINC000449076344 373659091 /nfs/dbraw/zinc/65/90/91/373659091.db2.gz OXLDWVXEUIREAJ-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449434014 373711168 /nfs/dbraw/zinc/71/11/68/373711168.db2.gz OWEJSVLSMRMCDW-KBPBESRZSA-N 2 2 257.381 3.250 20 0 CGADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)c1cccc(F)c1 ZINC000301100557 373660141 /nfs/dbraw/zinc/66/01/41/373660141.db2.gz YBQLRTPPEZXKSO-MRXNPFEDSA-N 2 2 298.365 3.417 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)CCC2 ZINC000449166817 373666535 /nfs/dbraw/zinc/66/65/35/373666535.db2.gz GHOXKFRHHDLOAX-LQKXBSAESA-N 2 2 275.440 3.483 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000177506383 373688711 /nfs/dbraw/zinc/68/87/11/373688711.db2.gz LUYUIAKHYRUYTD-UHFFFAOYSA-N 2 2 287.432 3.200 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000177506383 373688719 /nfs/dbraw/zinc/68/87/19/373688719.db2.gz LUYUIAKHYRUYTD-UHFFFAOYSA-N 2 2 287.432 3.200 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449481827 373770464 /nfs/dbraw/zinc/77/04/64/373770464.db2.gz VZBNLEOKEOZBFK-MRXNPFEDSA-N 2 2 288.435 3.262 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000178957750 373820629 /nfs/dbraw/zinc/82/06/29/373820629.db2.gz QLICEJVKQJEVOY-MAUKXSAKSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000178957750 373820634 /nfs/dbraw/zinc/82/06/34/373820634.db2.gz QLICEJVKQJEVOY-MAUKXSAKSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000449499731 373796867 /nfs/dbraw/zinc/79/68/67/373796867.db2.gz UFCCQGICWRBIAX-WMZOPIPTSA-N 2 2 290.451 3.363 20 0 CGADLP Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(C(C)C)[nH+]1 ZINC000301673137 373797409 /nfs/dbraw/zinc/79/74/09/373797409.db2.gz ZTISTIATYWFLOA-ZDUSSCGKSA-N 2 2 285.395 3.016 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)c(C)o1 ZINC000179421514 373870457 /nfs/dbraw/zinc/87/04/57/373870457.db2.gz GFMMVXFQLIMZMV-LBPRGKRZSA-N 2 2 269.348 3.395 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681515 373905430 /nfs/dbraw/zinc/90/54/30/373905430.db2.gz IIHJJOVDLSHYOK-KBPBESRZSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681515 373905434 /nfs/dbraw/zinc/90/54/34/373905434.db2.gz IIHJJOVDLSHYOK-KBPBESRZSA-N 2 2 257.381 3.345 20 0 CGADLP CC[N@@H+](CCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179690182 373905825 /nfs/dbraw/zinc/90/58/25/373905825.db2.gz AOFFIWUODNAFKI-UHFFFAOYSA-N 2 2 279.387 3.399 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449779927 373908607 /nfs/dbraw/zinc/90/86/07/373908607.db2.gz FFBSGVWTCJFHBU-FMKPAKJESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449779927 373908609 /nfs/dbraw/zinc/90/86/09/373908609.db2.gz FFBSGVWTCJFHBU-FMKPAKJESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000181190497 374093596 /nfs/dbraw/zinc/09/35/96/374093596.db2.gz GCBJUSJEBJTROG-ZDUSSCGKSA-N 2 2 293.480 3.158 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000181704632 374158535 /nfs/dbraw/zinc/15/85/35/374158535.db2.gz AGXYWFNAKQYHJC-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000181704632 374158539 /nfs/dbraw/zinc/15/85/39/374158539.db2.gz AGXYWFNAKQYHJC-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000181704632 374158543 /nfs/dbraw/zinc/15/85/43/374158543.db2.gz AGXYWFNAKQYHJC-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000181704632 374158548 /nfs/dbraw/zinc/15/85/48/374158548.db2.gz AGXYWFNAKQYHJC-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309810659 374199553 /nfs/dbraw/zinc/19/95/53/374199553.db2.gz MSAKSCKBCQNCRH-OAHLLOKOSA-N 2 2 292.386 3.249 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309810659 374199561 /nfs/dbraw/zinc/19/95/61/374199561.db2.gz MSAKSCKBCQNCRH-OAHLLOKOSA-N 2 2 292.386 3.249 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309894005 374202384 /nfs/dbraw/zinc/20/23/84/374202384.db2.gz NKFVFNGYZFWOSG-RHSMWYFYSA-N 2 2 260.425 3.428 20 0 CGADLP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309894005 374202387 /nfs/dbraw/zinc/20/23/87/374202387.db2.gz NKFVFNGYZFWOSG-RHSMWYFYSA-N 2 2 260.425 3.428 20 0 CGADLP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000311665486 374251258 /nfs/dbraw/zinc/25/12/58/374251258.db2.gz GXLXOLZDYJEBIE-ZDUSSCGKSA-N 2 2 264.417 3.049 20 0 CGADLP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000311665486 374251266 /nfs/dbraw/zinc/25/12/66/374251266.db2.gz GXLXOLZDYJEBIE-ZDUSSCGKSA-N 2 2 264.417 3.049 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)c2sccc21 ZINC000453081948 374364231 /nfs/dbraw/zinc/36/42/31/374364231.db2.gz KLSATRKKRBXOQJ-OCCSQVGLSA-N 2 2 264.438 3.372 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000328532876 374366566 /nfs/dbraw/zinc/36/65/66/374366566.db2.gz YOIVLYQXHORLFN-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000328532876 374366575 /nfs/dbraw/zinc/36/65/75/374366575.db2.gz YOIVLYQXHORLFN-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP CCCC[C@@H](CC)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000183645800 374438682 /nfs/dbraw/zinc/43/86/82/374438682.db2.gz LQLKNMXAXIBFDI-OAHLLOKOSA-N 2 2 251.418 3.421 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183645800 374438691 /nfs/dbraw/zinc/43/86/91/374438691.db2.gz LQLKNMXAXIBFDI-OAHLLOKOSA-N 2 2 251.418 3.421 20 0 CGADLP CC(C)COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccco1 ZINC000184154120 374499144 /nfs/dbraw/zinc/49/91/44/374499144.db2.gz QHEJXQBBCOLYLE-CVEARBPZSA-N 2 2 294.439 3.067 20 0 CGADLP CC(C)COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154120 374499146 /nfs/dbraw/zinc/49/91/46/374499146.db2.gz QHEJXQBBCOLYLE-CVEARBPZSA-N 2 2 294.439 3.067 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000459282648 374801451 /nfs/dbraw/zinc/80/14/51/374801451.db2.gz PTRMVHDQYGUJML-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000459282648 374801459 /nfs/dbraw/zinc/80/14/59/374801459.db2.gz PTRMVHDQYGUJML-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000335144546 375172180 /nfs/dbraw/zinc/17/21/80/375172180.db2.gz OCRKDNNEFDIVPI-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000335144546 375172186 /nfs/dbraw/zinc/17/21/86/375172186.db2.gz OCRKDNNEFDIVPI-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2C)C2CC2)C1 ZINC000482944107 375173948 /nfs/dbraw/zinc/17/39/48/375173948.db2.gz GVHCVRUABMLZSN-QGTPRVQTSA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2C)C2CC2)C1 ZINC000482944107 375173955 /nfs/dbraw/zinc/17/39/55/375173955.db2.gz GVHCVRUABMLZSN-QGTPRVQTSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000474472339 375113567 /nfs/dbraw/zinc/11/35/67/375113567.db2.gz VYRCDMHAUDYHPN-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000188870737 375285108 /nfs/dbraw/zinc/28/51/08/375285108.db2.gz DXUWUBIGVOZCFL-KRWDZBQOSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336002750 375610078 /nfs/dbraw/zinc/61/00/78/375610078.db2.gz WUQSHGYPNCRHFR-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336002750 375610085 /nfs/dbraw/zinc/61/00/85/375610085.db2.gz WUQSHGYPNCRHFR-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192286602 375725055 /nfs/dbraw/zinc/72/50/55/375725055.db2.gz AHZWPHKAOVJEDW-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192286602 375725061 /nfs/dbraw/zinc/72/50/61/375725061.db2.gz AHZWPHKAOVJEDW-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+]1CCCCCC1 ZINC000507457215 375701573 /nfs/dbraw/zinc/70/15/73/375701573.db2.gz AVHIXVKSEUVMPQ-BZSNNMDCSA-N 2 2 296.499 3.292 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000336195995 375756165 /nfs/dbraw/zinc/75/61/65/375756165.db2.gz JTUOYHMPEFRKRG-CYBMUJFWSA-N 2 2 283.366 3.346 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000509122490 375772456 /nfs/dbraw/zinc/77/24/56/375772456.db2.gz DDAUVBXZRNTVNF-RDJZCZTQSA-N 2 2 280.431 3.481 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000509122490 375772461 /nfs/dbraw/zinc/77/24/61/375772461.db2.gz DDAUVBXZRNTVNF-RDJZCZTQSA-N 2 2 280.431 3.481 20 0 CGADLP C[NH+](C)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000336473955 375798849 /nfs/dbraw/zinc/79/88/49/375798849.db2.gz NPPUSUWJLKTCBV-UHFFFAOYSA-N 2 2 289.810 3.419 20 0 CGADLP c1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000192925406 375803181 /nfs/dbraw/zinc/80/31/81/375803181.db2.gz SANKSHIVYZRNOH-IBGZPJMESA-N 2 2 295.430 3.247 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000193123105 375830319 /nfs/dbraw/zinc/83/03/19/375830319.db2.gz VVWMOSDSBTWXGC-UKRRQHHQSA-N 2 2 284.407 3.182 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000193123095 375830939 /nfs/dbraw/zinc/83/09/39/375830939.db2.gz VVWMOSDSBTWXGC-ZFWWWQNUSA-N 2 2 284.407 3.182 20 0 CGADLP c1cn(C2CC[NH+]([C@@H]3/C=C/CCCCC3)CC2)c[nH+]1 ZINC000336575749 375844481 /nfs/dbraw/zinc/84/44/81/375844481.db2.gz OQSWZCQXOLTJQF-CSPWOOARSA-N 2 2 259.397 3.409 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193473806 375883393 /nfs/dbraw/zinc/88/33/93/375883393.db2.gz MJEXRPQUESLODW-CQSZACIVSA-N 2 2 264.388 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193473806 375883401 /nfs/dbraw/zinc/88/34/01/375883401.db2.gz MJEXRPQUESLODW-CQSZACIVSA-N 2 2 264.388 3.304 20 0 CGADLP Clc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000194409992 376001256 /nfs/dbraw/zinc/00/12/56/376001256.db2.gz ZZRYRBYBSMRKRK-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1csc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000194409992 376001264 /nfs/dbraw/zinc/00/12/64/376001264.db2.gz ZZRYRBYBSMRKRK-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000336890546 376020476 /nfs/dbraw/zinc/02/04/76/376020476.db2.gz HKWXITFHMNZGON-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000336890546 376020481 /nfs/dbraw/zinc/02/04/81/376020481.db2.gz HKWXITFHMNZGON-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891373 376020883 /nfs/dbraw/zinc/02/08/83/376020883.db2.gz IMQYQMCLZSSIPZ-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891373 376020887 /nfs/dbraw/zinc/02/08/87/376020887.db2.gz IMQYQMCLZSSIPZ-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)ccc2c1 ZINC000194336501 375985943 /nfs/dbraw/zinc/98/59/43/375985943.db2.gz KOUYXTVEPVIKQN-CQSZACIVSA-N 2 2 295.386 3.396 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615202 376181297 /nfs/dbraw/zinc/18/12/97/376181297.db2.gz NULWHCXSANCKBA-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615202 376181301 /nfs/dbraw/zinc/18/13/01/376181301.db2.gz NULWHCXSANCKBA-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615202 376181309 /nfs/dbraw/zinc/18/13/09/376181309.db2.gz NULWHCXSANCKBA-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000537615202 376181315 /nfs/dbraw/zinc/18/13/15/376181315.db2.gz NULWHCXSANCKBA-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C2CC2)ccc1F ZINC000538101398 376221767 /nfs/dbraw/zinc/22/17/67/376221767.db2.gz XZVQDOCJSKDFRV-RDJZCZTQSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000538101398 376221772 /nfs/dbraw/zinc/22/17/72/376221772.db2.gz XZVQDOCJSKDFRV-RDJZCZTQSA-N 2 2 276.399 3.269 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000538206426 376225322 /nfs/dbraw/zinc/22/53/22/376225322.db2.gz KWVNCTGPDMIIQO-QGZVFWFLSA-N 2 2 287.382 3.470 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000222214314 376231140 /nfs/dbraw/zinc/23/11/40/376231140.db2.gz KCHFDWZNADKFSW-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000222214314 376231145 /nfs/dbraw/zinc/23/11/45/376231145.db2.gz KCHFDWZNADKFSW-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)[nH+]1 ZINC000538308659 376233923 /nfs/dbraw/zinc/23/39/23/376233923.db2.gz ZOXKBIPXCMTTAY-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2ccccn2)[nH+]1 ZINC000538308659 376233933 /nfs/dbraw/zinc/23/39/33/376233933.db2.gz ZOXKBIPXCMTTAY-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554452 376247862 /nfs/dbraw/zinc/24/78/62/376247862.db2.gz TUZOKYAULDBNBI-MLGOLLRUSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554452 376247871 /nfs/dbraw/zinc/24/78/71/376247871.db2.gz TUZOKYAULDBNBI-MLGOLLRUSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539653903 376323859 /nfs/dbraw/zinc/32/38/59/376323859.db2.gz DEYFODFJEMKWCP-PBHICJAKSA-N 2 2 270.420 3.182 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539653903 376323863 /nfs/dbraw/zinc/32/38/63/376323863.db2.gz DEYFODFJEMKWCP-PBHICJAKSA-N 2 2 270.420 3.182 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000226014281 376337497 /nfs/dbraw/zinc/33/74/97/376337497.db2.gz MWFVDNFZJHXMDF-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000226014281 376337506 /nfs/dbraw/zinc/33/75/06/376337506.db2.gz MWFVDNFZJHXMDF-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H](C)C2 ZINC000540911845 376404407 /nfs/dbraw/zinc/40/44/07/376404407.db2.gz PLZNLVNFIXPKSH-RLFYNMQTSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H](C)C2 ZINC000540911845 376404413 /nfs/dbraw/zinc/40/44/13/376404413.db2.gz PLZNLVNFIXPKSH-RLFYNMQTSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCSC2)n1-c1ccccc1 ZINC000226383676 376356413 /nfs/dbraw/zinc/35/64/13/376356413.db2.gz MJRNMKAKFHKTLG-AWEZNQCLSA-N 2 2 287.432 3.023 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000540550669 376380957 /nfs/dbraw/zinc/38/09/57/376380957.db2.gz DABAQNJOENGFLP-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000540550669 376380964 /nfs/dbraw/zinc/38/09/64/376380964.db2.gz DABAQNJOENGFLP-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000540589004 376382753 /nfs/dbraw/zinc/38/27/53/376382753.db2.gz MAFKVHGXJQDJAV-OAHLLOKOSA-N 2 2 287.407 3.411 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338687554 376480157 /nfs/dbraw/zinc/48/01/57/376480157.db2.gz MIUZXMSIJPYOQF-NUEKZKHPSA-N 2 2 260.425 3.108 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(C)c1F ZINC000334326891 206375662 /nfs/dbraw/zinc/37/56/62/206375662.db2.gz BRIBSRSEPMOCSB-OCCSQVGLSA-N 2 2 287.382 3.374 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(C)c1F ZINC000334326891 206375665 /nfs/dbraw/zinc/37/56/65/206375665.db2.gz BRIBSRSEPMOCSB-OCCSQVGLSA-N 2 2 287.382 3.374 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232603425 376581906 /nfs/dbraw/zinc/58/19/06/376581906.db2.gz LFNANLCACCTZJG-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232603425 376581908 /nfs/dbraw/zinc/58/19/08/376581908.db2.gz LFNANLCACCTZJG-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000544381504 376726489 /nfs/dbraw/zinc/72/64/89/376726489.db2.gz WTPUVDJFBBJDHN-RBGFHDKUSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000544381504 376726497 /nfs/dbraw/zinc/72/64/97/376726497.db2.gz WTPUVDJFBBJDHN-RBGFHDKUSA-N 2 2 252.446 3.129 20 0 CGADLP CCCC[C@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000236861201 376704906 /nfs/dbraw/zinc/70/49/06/376704906.db2.gz XIJGBGQQLLQGQA-INIZCTEOSA-N 2 2 299.374 3.330 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000157694145 542137889 /nfs/dbraw/zinc/13/78/89/542137889.db2.gz OOTLHYJHEFIXAM-KBPBESRZSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000157694145 542137893 /nfs/dbraw/zinc/13/78/93/542137893.db2.gz OOTLHYJHEFIXAM-KBPBESRZSA-N 2 2 264.438 3.273 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000245556298 376854388 /nfs/dbraw/zinc/85/43/88/376854388.db2.gz IZYJMWFDMCZMJP-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000245556298 376854395 /nfs/dbraw/zinc/85/43/95/376854395.db2.gz IZYJMWFDMCZMJP-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000245556298 376854403 /nfs/dbraw/zinc/85/44/03/376854403.db2.gz IZYJMWFDMCZMJP-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000245556298 376854405 /nfs/dbraw/zinc/85/44/05/376854405.db2.gz IZYJMWFDMCZMJP-CVEARBPZSA-N 2 2 276.424 3.366 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245608134 376868381 /nfs/dbraw/zinc/86/83/81/376868381.db2.gz ACFHHBAPQBKDSV-HZPDHXFCSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245608134 376868388 /nfs/dbraw/zinc/86/83/88/376868388.db2.gz ACFHHBAPQBKDSV-HZPDHXFCSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245918739 376934059 /nfs/dbraw/zinc/93/40/59/376934059.db2.gz SBZHWLKFDZJLEX-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245918739 376934065 /nfs/dbraw/zinc/93/40/65/376934065.db2.gz SBZHWLKFDZJLEX-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245918739 376934070 /nfs/dbraw/zinc/93/40/70/376934070.db2.gz SBZHWLKFDZJLEX-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245918739 376934078 /nfs/dbraw/zinc/93/40/78/376934078.db2.gz SBZHWLKFDZJLEX-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1F ZINC000340184119 376940658 /nfs/dbraw/zinc/94/06/58/376940658.db2.gz POMQLOFZJNAVRO-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccncc1F ZINC000340184119 376940662 /nfs/dbraw/zinc/94/06/62/376940662.db2.gz POMQLOFZJNAVRO-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCC23CCCC3)CCSC1 ZINC000340252762 376967036 /nfs/dbraw/zinc/96/70/36/376967036.db2.gz BZLLWIAHLQUXSK-GDBMZVCRSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000558472075 377012480 /nfs/dbraw/zinc/01/24/80/377012480.db2.gz SIYJTHLCZHPGGZ-LZBKUMLDSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000558472075 377012487 /nfs/dbraw/zinc/01/24/87/377012487.db2.gz SIYJTHLCZHPGGZ-LZBKUMLDSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000559958679 377110520 /nfs/dbraw/zinc/11/05/20/377110520.db2.gz ZQFXPXULAOMVKN-CRAIPNDOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000559958679 377110531 /nfs/dbraw/zinc/11/05/31/377110531.db2.gz ZQFXPXULAOMVKN-CRAIPNDOSA-N 2 2 272.436 3.397 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]CC3(C)CC3)c(C)c2)CC1 ZINC000559111939 377068552 /nfs/dbraw/zinc/06/85/52/377068552.db2.gz WGMGUYDBCHMFFP-UHFFFAOYSA-N 2 2 287.451 3.349 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1F ZINC000340472084 377083023 /nfs/dbraw/zinc/08/30/23/377083023.db2.gz AMUNYFJYVFHTAK-ZDUSSCGKSA-N 2 2 288.370 3.159 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000246823380 377097702 /nfs/dbraw/zinc/09/77/02/377097702.db2.gz BHHYBGAPRWOXBK-DOMZBBRYSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000246823380 377097710 /nfs/dbraw/zinc/09/77/10/377097710.db2.gz BHHYBGAPRWOXBK-DOMZBBRYSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000340492947 377100043 /nfs/dbraw/zinc/10/00/43/377100043.db2.gz XILACDVQHZWQRQ-KNXALSJPSA-N 2 2 298.352 3.066 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000340492947 377100050 /nfs/dbraw/zinc/10/00/50/377100050.db2.gz XILACDVQHZWQRQ-KNXALSJPSA-N 2 2 298.352 3.066 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000559893924 377106092 /nfs/dbraw/zinc/10/60/92/377106092.db2.gz PZUHAFXPBUSARL-WBVHZDCISA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000559893924 377106098 /nfs/dbraw/zinc/10/60/98/377106098.db2.gz PZUHAFXPBUSARL-WBVHZDCISA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247338800 377195361 /nfs/dbraw/zinc/19/53/61/377195361.db2.gz JKDFCMQPMWRKGG-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247338800 377195371 /nfs/dbraw/zinc/19/53/71/377195371.db2.gz JKDFCMQPMWRKGG-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000560246770 377133340 /nfs/dbraw/zinc/13/33/40/377133340.db2.gz IDJXAQVKYOBYOG-JKSUJKDBSA-N 2 2 290.451 3.162 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000560343104 377141427 /nfs/dbraw/zinc/14/14/27/377141427.db2.gz GZODNNBIZBISEU-OCCSQVGLSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000560343104 377141435 /nfs/dbraw/zinc/14/14/35/377141435.db2.gz GZODNNBIZBISEU-OCCSQVGLSA-N 2 2 252.427 3.131 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000247069949 377153289 /nfs/dbraw/zinc/15/32/89/377153289.db2.gz QDDBPYICWRUGTM-JMSVASOKSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000247069949 377153295 /nfs/dbraw/zinc/15/32/95/377153295.db2.gz QDDBPYICWRUGTM-JMSVASOKSA-N 2 2 294.826 3.236 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247361582 377196964 /nfs/dbraw/zinc/19/69/64/377196964.db2.gz OOTFPNFVYLDOLB-JSGCOSHPSA-N 2 2 298.377 3.169 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247361582 377196975 /nfs/dbraw/zinc/19/69/75/377196975.db2.gz OOTFPNFVYLDOLB-JSGCOSHPSA-N 2 2 298.377 3.169 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247124756 377164265 /nfs/dbraw/zinc/16/42/65/377164265.db2.gz PXSLZPGXZUVRQP-LRDDRELGSA-N 2 2 282.378 3.299 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247124756 377164275 /nfs/dbraw/zinc/16/42/75/377164275.db2.gz PXSLZPGXZUVRQP-LRDDRELGSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000247156742 377170069 /nfs/dbraw/zinc/17/00/69/377170069.db2.gz TYQVRQGXONKJJS-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000247156742 377170079 /nfs/dbraw/zinc/17/00/79/377170079.db2.gz TYQVRQGXONKJJS-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247267509 377188195 /nfs/dbraw/zinc/18/81/95/377188195.db2.gz XYBDTKPNESABAC-BBRMVZONSA-N 2 2 273.380 3.122 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247267509 377188200 /nfs/dbraw/zinc/18/82/00/377188200.db2.gz XYBDTKPNESABAC-BBRMVZONSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991446 377252728 /nfs/dbraw/zinc/25/27/28/377252728.db2.gz JLWFOBCYEHOGFF-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247991446 377252737 /nfs/dbraw/zinc/25/27/37/377252737.db2.gz JLWFOBCYEHOGFF-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247991446 377252745 /nfs/dbraw/zinc/25/27/45/377252745.db2.gz JLWFOBCYEHOGFF-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247991446 377252748 /nfs/dbraw/zinc/25/27/48/377252748.db2.gz JLWFOBCYEHOGFF-IGCXYCKISA-N 2 2 294.389 3.442 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498783 377330729 /nfs/dbraw/zinc/33/07/29/377330729.db2.gz RUHQNZBTXSVKOY-KBPBESRZSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498783 377330745 /nfs/dbraw/zinc/33/07/45/377330745.db2.gz RUHQNZBTXSVKOY-KBPBESRZSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498783 377330754 /nfs/dbraw/zinc/33/07/54/377330754.db2.gz RUHQNZBTXSVKOY-KBPBESRZSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)s2)[C@@H](C)C1 ZINC000248498783 377330763 /nfs/dbraw/zinc/33/07/63/377330763.db2.gz RUHQNZBTXSVKOY-KBPBESRZSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000248533632 377339116 /nfs/dbraw/zinc/33/91/16/377339116.db2.gz UDGZHBQQSOHKRK-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000248533632 377339120 /nfs/dbraw/zinc/33/91/20/377339120.db2.gz UDGZHBQQSOHKRK-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)cc[nH+]1 ZINC000563461103 377470217 /nfs/dbraw/zinc/47/02/17/377470217.db2.gz MDLWEQRRLHQMFT-NVXWUHKLSA-N 2 2 272.392 3.424 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)cc[nH+]1 ZINC000563461103 377470223 /nfs/dbraw/zinc/47/02/23/377470223.db2.gz MDLWEQRRLHQMFT-NVXWUHKLSA-N 2 2 272.392 3.424 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249189108 377477184 /nfs/dbraw/zinc/47/71/84/377477184.db2.gz MPSNGOJRZJDRNO-SJORKVTESA-N 2 2 260.425 3.038 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249189108 377477191 /nfs/dbraw/zinc/47/71/91/377477191.db2.gz MPSNGOJRZJDRNO-SJORKVTESA-N 2 2 260.425 3.038 20 0 CGADLP C(=C/c1ccccc1)\C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000265103320 190158444 /nfs/dbraw/zinc/15/84/44/190158444.db2.gz FOJZNOWYLOCSIH-QPJJXVBHSA-N 2 2 267.376 3.233 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)CC ZINC000313123552 249086950 /nfs/dbraw/zinc/08/69/50/249086950.db2.gz WKTQBFXENJTHBN-XKQJLSEDSA-N 2 2 287.407 3.072 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000313265939 249090043 /nfs/dbraw/zinc/09/00/43/249090043.db2.gz HOSLPDXESQZNBR-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)CC(F)(F)F)c[nH+]c12 ZINC000361745370 249115020 /nfs/dbraw/zinc/11/50/20/249115020.db2.gz SVUJKFONQJAVCV-JTQLQIEISA-N 2 2 271.286 3.073 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000414926487 249124036 /nfs/dbraw/zinc/12/40/36/249124036.db2.gz JMBRSJOVYVFDQS-CQSZACIVSA-N 2 2 276.424 3.083 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039898 249131470 /nfs/dbraw/zinc/13/14/70/249131470.db2.gz GYAOCAWJYOSHDX-FVQBIDKESA-N 2 2 297.402 3.086 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039898 249131474 /nfs/dbraw/zinc/13/14/74/249131474.db2.gz GYAOCAWJYOSHDX-FVQBIDKESA-N 2 2 297.402 3.086 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccccc2)C(C)C)n1C ZINC000516585711 249238789 /nfs/dbraw/zinc/23/87/89/249238789.db2.gz ZVXXOMKELVELQV-KRWDZBQOSA-N 2 2 271.408 3.258 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000251604720 377591303 /nfs/dbraw/zinc/59/13/03/377591303.db2.gz CULSWCOLFDLBLO-INMHGKMJSA-N 2 2 287.451 3.465 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000178311034 542196461 /nfs/dbraw/zinc/19/64/61/542196461.db2.gz UTPZFHNTPDNFIV-OAHLLOKOSA-N 2 2 298.377 3.425 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000179960900 542204577 /nfs/dbraw/zinc/20/45/77/542204577.db2.gz DKFHXKQLGVKQHK-KDOFPFPSSA-N 2 2 298.434 3.206 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251938806 377606177 /nfs/dbraw/zinc/60/61/77/377606177.db2.gz ZKMZGRRUWSBQLZ-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251938806 377606179 /nfs/dbraw/zinc/60/61/79/377606179.db2.gz ZKMZGRRUWSBQLZ-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000341996534 377625500 /nfs/dbraw/zinc/62/55/00/377625500.db2.gz RQOHYYHHZFSMAM-KGLIPLIRSA-N 2 2 294.414 3.359 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000341996534 377625512 /nfs/dbraw/zinc/62/55/12/377625512.db2.gz RQOHYYHHZFSMAM-KGLIPLIRSA-N 2 2 294.414 3.359 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252700727 377652380 /nfs/dbraw/zinc/65/23/80/377652380.db2.gz AZZGFLNPFNHDTJ-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252700727 377652386 /nfs/dbraw/zinc/65/23/86/377652386.db2.gz AZZGFLNPFNHDTJ-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252715667 377653633 /nfs/dbraw/zinc/65/36/33/377653633.db2.gz WIQRVSAZYOHVOY-IHRRRGAJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252715667 377653642 /nfs/dbraw/zinc/65/36/42/377653642.db2.gz WIQRVSAZYOHVOY-IHRRRGAJSA-N 2 2 292.398 3.112 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000342616671 377691751 /nfs/dbraw/zinc/69/17/51/377691751.db2.gz PZBUNGNYONVXMS-INIZCTEOSA-N 2 2 269.392 3.210 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574691762 377694989 /nfs/dbraw/zinc/69/49/89/377694989.db2.gz PRVOIMSOTXPPGI-JTDRTSHGSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000574691762 377694995 /nfs/dbraw/zinc/69/49/95/377694995.db2.gz PRVOIMSOTXPPGI-JTDRTSHGSA-N 2 2 288.410 3.445 20 0 CGADLP Clc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)o2)cc1 ZINC000574544392 377679338 /nfs/dbraw/zinc/67/93/38/377679338.db2.gz OBLZVMUZUKURSX-AWEZNQCLSA-N 2 2 290.794 3.442 20 0 CGADLP CC[NH+](CC)CCCC1CC[NH+](CC(F)F)CC1 ZINC000182793557 542225603 /nfs/dbraw/zinc/22/56/03/542225603.db2.gz YFMCTEBWMNAPHQ-UHFFFAOYSA-N 2 2 262.388 3.086 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009216 377878508 /nfs/dbraw/zinc/87/85/08/377878508.db2.gz MCUQPJPZYUNNPH-IAGOWNOFSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009216 377878513 /nfs/dbraw/zinc/87/85/13/377878513.db2.gz MCUQPJPZYUNNPH-IAGOWNOFSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)s1 ZINC000262127040 377887580 /nfs/dbraw/zinc/88/75/80/377887580.db2.gz XVDKYSMKCNNIJR-UHFFFAOYSA-N 2 2 274.433 3.060 20 0 CGADLP Cc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)s1 ZINC000262127040 377887590 /nfs/dbraw/zinc/88/75/90/377887590.db2.gz XVDKYSMKCNNIJR-UHFFFAOYSA-N 2 2 274.433 3.060 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261839698 377859454 /nfs/dbraw/zinc/85/94/54/377859454.db2.gz PBKHQIBRRRPRCV-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261839698 377859457 /nfs/dbraw/zinc/85/94/57/377859457.db2.gz PBKHQIBRRRPRCV-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccccc1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343305598 377948559 /nfs/dbraw/zinc/94/85/59/377948559.db2.gz SWMBOXYKNYAVPD-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1ccccc1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343305598 377948564 /nfs/dbraw/zinc/94/85/64/377948564.db2.gz SWMBOXYKNYAVPD-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343558618 378018879 /nfs/dbraw/zinc/01/88/79/378018879.db2.gz BPPKFDJPMQOUKX-UONOGXRCSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343558618 378018882 /nfs/dbraw/zinc/01/88/82/378018882.db2.gz BPPKFDJPMQOUKX-UONOGXRCSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H](O)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232065 378049028 /nfs/dbraw/zinc/04/90/28/378049028.db2.gz GWBWTSPIXNMRTM-HRCADAONSA-N 2 2 290.451 3.009 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c(C)c1 ZINC000343671302 378061368 /nfs/dbraw/zinc/06/13/68/378061368.db2.gz MIVZAXDSCOHRNA-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)[nH]1 ZINC000268680272 378089942 /nfs/dbraw/zinc/08/99/42/378089942.db2.gz MGXBSEADFVBHEO-UHFFFAOYSA-N 2 2 299.422 3.101 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CCc3ccco3)n2c1 ZINC000269366633 378212190 /nfs/dbraw/zinc/21/21/90/378212190.db2.gz RGFAUZVQLOSQDG-AWEZNQCLSA-N 2 2 283.375 3.347 20 0 CGADLP CC[C@@H](CSc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000580844959 378263288 /nfs/dbraw/zinc/26/32/88/378263288.db2.gz SNVXFZKICUVBDF-AWEZNQCLSA-N 2 2 289.448 3.389 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1C(C)(C)C ZINC000345301580 378248818 /nfs/dbraw/zinc/24/88/18/378248818.db2.gz ZZXDKOMWBIOWSG-YDHLFZDLSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1C(C)(C)C ZINC000345301580 378248821 /nfs/dbraw/zinc/24/88/21/378248821.db2.gz ZZXDKOMWBIOWSG-YDHLFZDLSA-N 2 2 292.471 3.080 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346168185 378487552 /nfs/dbraw/zinc/48/75/52/378487552.db2.gz CEWXJYREQULZTB-NWDGAFQWSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346168185 378487557 /nfs/dbraw/zinc/48/75/57/378487557.db2.gz CEWXJYREQULZTB-NWDGAFQWSA-N 2 2 261.394 3.164 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000346249491 378519321 /nfs/dbraw/zinc/51/93/21/378519321.db2.gz XTVYVJDJTCLOSR-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000346249491 378519326 /nfs/dbraw/zinc/51/93/26/378519326.db2.gz XTVYVJDJTCLOSR-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000346477502 378590761 /nfs/dbraw/zinc/59/07/61/378590761.db2.gz HUOFIFJOJNMSBF-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272279071 378602793 /nfs/dbraw/zinc/60/27/93/378602793.db2.gz MMZUVFYDOFMPHB-HUUCEWRRSA-N 2 2 287.407 3.074 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000346647739 378661451 /nfs/dbraw/zinc/66/14/51/378661451.db2.gz BEKPHZWZVOZVSO-OAHLLOKOSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000346647739 378661457 /nfs/dbraw/zinc/66/14/57/378661457.db2.gz BEKPHZWZVOZVSO-OAHLLOKOSA-N 2 2 284.831 3.154 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653667 378662985 /nfs/dbraw/zinc/66/29/85/378662985.db2.gz FCMJNFALCQMULB-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653667 378662990 /nfs/dbraw/zinc/66/29/90/378662990.db2.gz FCMJNFALCQMULB-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000347951615 378737569 /nfs/dbraw/zinc/73/75/69/378737569.db2.gz XJSGMDOYYFDKGM-XOMBGVMMSA-N 2 2 291.345 3.086 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2cccc(F)c2C1 ZINC000347957924 378739036 /nfs/dbraw/zinc/73/90/36/378739036.db2.gz XPJWYHOJOAAGJQ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2cccc(F)c2C1 ZINC000347957924 378739039 /nfs/dbraw/zinc/73/90/39/378739039.db2.gz XPJWYHOJOAAGJQ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000347957924 378739044 /nfs/dbraw/zinc/73/90/44/378739044.db2.gz XPJWYHOJOAAGJQ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2cccc(F)c2C1 ZINC000347957924 378739049 /nfs/dbraw/zinc/73/90/49/378739049.db2.gz XPJWYHOJOAAGJQ-HNNXBMFYSA-N 2 2 276.399 3.058 20 0 CGADLP Clc1cc(Cl)c2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000346995531 378704135 /nfs/dbraw/zinc/70/41/35/378704135.db2.gz VZYAPQHHNNUQOA-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP Clc1cc(Cl)c2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000346995531 378704139 /nfs/dbraw/zinc/70/41/39/378704139.db2.gz VZYAPQHHNNUQOA-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928925 378733152 /nfs/dbraw/zinc/73/31/52/378733152.db2.gz RMIVIXPVKMYTLA-APWZRJJASA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928925 378733156 /nfs/dbraw/zinc/73/31/56/378733156.db2.gz RMIVIXPVKMYTLA-APWZRJJASA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000347928925 378733159 /nfs/dbraw/zinc/73/31/59/378733159.db2.gz RMIVIXPVKMYTLA-APWZRJJASA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000347928925 378733163 /nfs/dbraw/zinc/73/31/63/378733163.db2.gz RMIVIXPVKMYTLA-APWZRJJASA-N 2 2 299.462 3.093 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638297316 378760704 /nfs/dbraw/zinc/76/07/04/378760704.db2.gz AVHCVMQEGZYHIR-WCQYABFASA-N 2 2 293.361 3.368 20 0 CGADLP COC1CCC(C[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000348094981 378788705 /nfs/dbraw/zinc/78/87/05/378788705.db2.gz HEKDPNMJECOJHY-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP CO[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)CC(C)C ZINC000638442133 378804863 /nfs/dbraw/zinc/80/48/63/378804863.db2.gz OYLIBHHHPNLXLN-AWEZNQCLSA-N 2 2 289.423 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000346808112 218020825 /nfs/dbraw/zinc/02/08/25/218020825.db2.gz VFQVZEYKDGUQPQ-COXVUDFISA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000346808112 218020827 /nfs/dbraw/zinc/02/08/27/218020827.db2.gz VFQVZEYKDGUQPQ-COXVUDFISA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000346850631 218035959 /nfs/dbraw/zinc/03/59/59/218035959.db2.gz UUSZMIJRLNABLH-CYBMUJFWSA-N 2 2 266.816 3.084 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000346850631 218035961 /nfs/dbraw/zinc/03/59/61/218035961.db2.gz UUSZMIJRLNABLH-CYBMUJFWSA-N 2 2 266.816 3.084 20 0 CGADLP CC[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000348242180 378859235 /nfs/dbraw/zinc/85/92/35/378859235.db2.gz KNAAKKPJPNHFLQ-HOTGVXAUSA-N 2 2 271.408 3.303 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000638837117 378930161 /nfs/dbraw/zinc/93/01/61/378930161.db2.gz OMFDWDBQOCOLKH-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000638837117 378930164 /nfs/dbraw/zinc/93/01/64/378930164.db2.gz OMFDWDBQOCOLKH-OAHLLOKOSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405162 378943960 /nfs/dbraw/zinc/94/39/60/378943960.db2.gz GCXDKEBKIACCQL-UPJWGTAASA-N 2 2 281.469 3.071 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405162 378943962 /nfs/dbraw/zinc/94/39/62/378943962.db2.gz GCXDKEBKIACCQL-UPJWGTAASA-N 2 2 281.469 3.071 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347037955 218100613 /nfs/dbraw/zinc/10/06/13/218100613.db2.gz GESNYSFLMALENA-GFCCVEGCSA-N 2 2 274.339 3.009 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347037955 218100614 /nfs/dbraw/zinc/10/06/14/218100614.db2.gz GESNYSFLMALENA-GFCCVEGCSA-N 2 2 274.339 3.009 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000348426213 378952557 /nfs/dbraw/zinc/95/25/57/378952557.db2.gz WDJQBOBAHGKANJ-IIDMSEBBSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H]1C[NH3+] ZINC000347083599 218114829 /nfs/dbraw/zinc/11/48/29/218114829.db2.gz ZNFKDPFBIHTBRR-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@H]1C[NH3+] ZINC000347083599 218114832 /nfs/dbraw/zinc/11/48/32/218114832.db2.gz ZNFKDPFBIHTBRR-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP C[N@H+](Cc1cnc(-c2cccs2)s1)C1CC[NH2+]CC1 ZINC000347098552 218121474 /nfs/dbraw/zinc/12/14/74/218121474.db2.gz IZMDSVRUMNBYCX-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP C[N@@H+](Cc1cnc(-c2cccs2)s1)C1CC[NH2+]CC1 ZINC000347098552 218121475 /nfs/dbraw/zinc/12/14/75/218121475.db2.gz IZMDSVRUMNBYCX-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP CC(C)=CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278607377 194065245 /nfs/dbraw/zinc/06/52/45/194065245.db2.gz GCJLRDUGAYROJH-UHFFFAOYSA-N 2 2 260.381 3.199 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000639090905 379013420 /nfs/dbraw/zinc/01/34/20/379013420.db2.gz JAXPEOSCKXXMIL-JZXOWHBKSA-N 2 2 290.451 3.145 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(F)nc1C ZINC000289461934 197358659 /nfs/dbraw/zinc/35/86/59/197358659.db2.gz ONENGTCHPZDKIT-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(F)nc1C ZINC000289461934 197358661 /nfs/dbraw/zinc/35/86/61/197358661.db2.gz ONENGTCHPZDKIT-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP Cl/C=C/C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278759001 194142093 /nfs/dbraw/zinc/14/20/93/194142093.db2.gz BMBSHUGBTHPTRF-XVNBXDOJSA-N 2 2 279.815 3.151 20 0 CGADLP C[C@H](CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150769 379171519 /nfs/dbraw/zinc/17/15/19/379171519.db2.gz NGMXAKBDYJHXJJ-WBVHZDCISA-N 2 2 283.419 3.403 20 0 CGADLP C[C@H](CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150769 379171528 /nfs/dbraw/zinc/17/15/28/379171528.db2.gz NGMXAKBDYJHXJJ-WBVHZDCISA-N 2 2 283.419 3.403 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OC(C)C ZINC000349404620 379265972 /nfs/dbraw/zinc/26/59/72/379265972.db2.gz FUMDUJLTKCUHKU-UHFFFAOYSA-N 2 2 278.440 3.247 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OC(C)C ZINC000349404620 379265979 /nfs/dbraw/zinc/26/59/79/379265979.db2.gz FUMDUJLTKCUHKU-UHFFFAOYSA-N 2 2 278.440 3.247 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373525080 379293466 /nfs/dbraw/zinc/29/34/66/379293466.db2.gz XDBCZNVKRXCETG-LRVUVFPRSA-N 2 2 293.480 3.427 20 0 CGADLP Oc1cc(F)cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000349599779 379316042 /nfs/dbraw/zinc/31/60/42/379316042.db2.gz PCKBRQYIDVULQZ-UHFFFAOYSA-N 2 2 297.333 3.007 20 0 CGADLP CCc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)o1 ZINC000639378954 379337376 /nfs/dbraw/zinc/33/73/76/379337376.db2.gz JRKMWKKIWGHUGE-UHFFFAOYSA-N 2 2 264.413 3.148 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000639379905 379340183 /nfs/dbraw/zinc/34/01/83/379340183.db2.gz SQMMATWPSVLYND-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000266565706 190267446 /nfs/dbraw/zinc/26/74/46/190267446.db2.gz ZNEYMHRBUVBMQA-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC000266565706 190267447 /nfs/dbraw/zinc/26/74/47/190267447.db2.gz ZNEYMHRBUVBMQA-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP C([NH2+]CC1CCSCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000639344712 379300950 /nfs/dbraw/zinc/30/09/50/379300950.db2.gz BCXQOSJCPOGMAT-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP C([NH2+]CC1CCSCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000639344712 379300963 /nfs/dbraw/zinc/30/09/63/379300963.db2.gz BCXQOSJCPOGMAT-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP CC(C)C[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347592157 218283385 /nfs/dbraw/zinc/28/33/85/218283385.db2.gz QNAOAPNUPPSRLH-CYBMUJFWSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)C[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347592157 218283386 /nfs/dbraw/zinc/28/33/86/218283386.db2.gz QNAOAPNUPPSRLH-CYBMUJFWSA-N 2 2 281.469 3.215 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639476930 379422419 /nfs/dbraw/zinc/42/24/19/379422419.db2.gz MHQCYINDHAXPSK-INIZCTEOSA-N 2 2 284.407 3.040 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639476930 379422428 /nfs/dbraw/zinc/42/24/28/379422428.db2.gz MHQCYINDHAXPSK-INIZCTEOSA-N 2 2 284.407 3.040 20 0 CGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000279570169 379463490 /nfs/dbraw/zinc/46/34/90/379463490.db2.gz SUKCLAYPEJNNST-ZTFGCOKTSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC3(CCOC3)CC2)c(C)[nH+]1 ZINC000639552031 379466925 /nfs/dbraw/zinc/46/69/25/379466925.db2.gz RDIWUQBKJBOCNE-UHFFFAOYSA-N 2 2 274.408 3.009 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccnc1 ZINC000375846242 379513453 /nfs/dbraw/zinc/51/34/53/379513453.db2.gz IDTLREDGRKIEPJ-HOTGVXAUSA-N 2 2 284.407 3.287 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000279812504 379522607 /nfs/dbraw/zinc/52/26/07/379522607.db2.gz FNNMSCCKGQYYJT-VQIMIIECSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000279812504 379522614 /nfs/dbraw/zinc/52/26/14/379522614.db2.gz FNNMSCCKGQYYJT-VQIMIIECSA-N 2 2 295.430 3.000 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000376729074 379595786 /nfs/dbraw/zinc/59/57/86/379595786.db2.gz NMYQTGNYYLFYQZ-WFASDCNBSA-N 2 2 285.391 3.226 20 0 CGADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376726758 379595954 /nfs/dbraw/zinc/59/59/54/379595954.db2.gz VROOASWIOASBFC-UHFFFAOYSA-N 2 2 275.783 3.163 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnccc1C ZINC000279940251 379557190 /nfs/dbraw/zinc/55/71/90/379557190.db2.gz NSOMZSCPLYHGAG-UHFFFAOYSA-N 2 2 294.402 3.228 20 0 CGADLP COc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1F ZINC000192956419 542269810 /nfs/dbraw/zinc/26/98/10/542269810.db2.gz WSUOZFUKIGJBDB-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1F ZINC000192956419 542269812 /nfs/dbraw/zinc/26/98/12/542269812.db2.gz WSUOZFUKIGJBDB-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1F ZINC000192956419 542269816 /nfs/dbraw/zinc/26/98/16/542269816.db2.gz WSUOZFUKIGJBDB-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1F ZINC000192956419 542269818 /nfs/dbraw/zinc/26/98/18/542269818.db2.gz WSUOZFUKIGJBDB-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccncc12)c1cccs1 ZINC000267167837 190308415 /nfs/dbraw/zinc/30/84/15/190308415.db2.gz BKIAGSSKJYISQV-HNNXBMFYSA-N 2 2 298.415 3.406 20 0 CGADLP C[C@@H](c1ccccn1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982188 379671910 /nfs/dbraw/zinc/67/19/10/379671910.db2.gz IPIXXVQBPFXRJK-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801989 379744473 /nfs/dbraw/zinc/74/44/73/379744473.db2.gz DLCXYXUGODNMSX-NFFDBFGFSA-N 2 2 273.424 3.071 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000377801989 379744480 /nfs/dbraw/zinc/74/44/80/379744480.db2.gz DLCXYXUGODNMSX-NFFDBFGFSA-N 2 2 273.424 3.071 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834061 379748130 /nfs/dbraw/zinc/74/81/30/379748130.db2.gz IRFNFQOYQSLYQO-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834061 379748134 /nfs/dbraw/zinc/74/81/34/379748134.db2.gz IRFNFQOYQSLYQO-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834061 379748138 /nfs/dbraw/zinc/74/81/38/379748138.db2.gz IRFNFQOYQSLYQO-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834061 379748142 /nfs/dbraw/zinc/74/81/42/379748142.db2.gz IRFNFQOYQSLYQO-BZNIZROVSA-N 2 2 298.352 3.020 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000125286067 535456921 /nfs/dbraw/zinc/45/69/21/535456921.db2.gz YEFGAAFKCZISEW-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@@H+]1C1CC1 ZINC000280747113 379778824 /nfs/dbraw/zinc/77/88/24/379778824.db2.gz XNYUVFXOUSTWFO-TUVASFSCSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@H+]1C1CC1 ZINC000280747113 379778829 /nfs/dbraw/zinc/77/88/29/379778829.db2.gz XNYUVFXOUSTWFO-TUVASFSCSA-N 2 2 288.410 3.287 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000125286067 535456924 /nfs/dbraw/zinc/45/69/24/535456924.db2.gz YEFGAAFKCZISEW-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000378167950 379787659 /nfs/dbraw/zinc/78/76/59/379787659.db2.gz YOZPXRSIDWDPRF-PBHICJAKSA-N 2 2 276.424 3.412 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352544968 379851560 /nfs/dbraw/zinc/85/15/60/379851560.db2.gz FHHCWQPRKOKNHM-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352544968 379851563 /nfs/dbraw/zinc/85/15/63/379851563.db2.gz FHHCWQPRKOKNHM-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000389306884 379895886 /nfs/dbraw/zinc/89/58/86/379895886.db2.gz FLCLBVVFAJDZAZ-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000389306884 379895892 /nfs/dbraw/zinc/89/58/92/379895892.db2.gz FLCLBVVFAJDZAZ-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000389208245 379896730 /nfs/dbraw/zinc/89/67/30/379896730.db2.gz BCFIWLBNDMNUNI-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000389208245 379896733 /nfs/dbraw/zinc/89/67/33/379896733.db2.gz BCFIWLBNDMNUNI-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389792025 379903759 /nfs/dbraw/zinc/90/37/59/379903759.db2.gz QLDMABJLRSOIER-YQQAZPJKSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389792025 379903767 /nfs/dbraw/zinc/90/37/67/379903767.db2.gz QLDMABJLRSOIER-YQQAZPJKSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347855414 218380163 /nfs/dbraw/zinc/38/01/63/218380163.db2.gz NAVBVAFNZGMBJK-ZDUSSCGKSA-N 2 2 281.469 3.217 20 0 CGADLP CC[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347855414 218380165 /nfs/dbraw/zinc/38/01/65/218380165.db2.gz NAVBVAFNZGMBJK-ZDUSSCGKSA-N 2 2 281.469 3.217 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641464483 380011295 /nfs/dbraw/zinc/01/12/95/380011295.db2.gz STTCEOJRFGQHIS-CYBMUJFWSA-N 2 2 284.407 3.107 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000641799637 380110749 /nfs/dbraw/zinc/11/07/49/380110749.db2.gz OLRBWWAEGPNPET-HUUCEWRRSA-N 2 2 285.391 3.010 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000641802972 380113651 /nfs/dbraw/zinc/11/36/51/380113651.db2.gz QHDYKANHGLRGBT-NEPJUHHUSA-N 2 2 293.461 3.087 20 0 CGADLP Oc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000284086184 380124348 /nfs/dbraw/zinc/12/43/48/380124348.db2.gz MBPRBKNIOXLCMV-QGZVFWFLSA-N 2 2 297.402 3.256 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000353248786 380189195 /nfs/dbraw/zinc/18/91/95/380189195.db2.gz MIHYERDDYYEPSZ-OWCLPIDISA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000353248786 380189202 /nfs/dbraw/zinc/18/92/02/380189202.db2.gz MIHYERDDYYEPSZ-OWCLPIDISA-N 2 2 281.403 3.193 20 0 CGADLP CC(C)(C)c1nc(N[C@@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000643051689 380209122 /nfs/dbraw/zinc/20/91/22/380209122.db2.gz HJSLHLDUWYQSJX-HNNXBMFYSA-N 2 2 298.434 3.088 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643066364 380210398 /nfs/dbraw/zinc/21/03/98/380210398.db2.gz NGYBNYBBTPSWLN-WFASDCNBSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1ccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643066364 380210401 /nfs/dbraw/zinc/21/04/01/380210401.db2.gz NGYBNYBBTPSWLN-WFASDCNBSA-N 2 2 296.867 3.116 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000353930273 380241084 /nfs/dbraw/zinc/24/10/84/380241084.db2.gz GIVADTPPODUSIK-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501557 380321906 /nfs/dbraw/zinc/32/19/06/380321906.db2.gz KPMVGUSVPATEQD-DOMZBBRYSA-N 2 2 294.826 3.285 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501307 380322055 /nfs/dbraw/zinc/32/20/55/380322055.db2.gz CKNUVNWMCUQNGX-FMKPAKJESA-N 2 2 258.409 3.275 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1SC ZINC000643502074 380324340 /nfs/dbraw/zinc/32/43/40/380324340.db2.gz XAUUCJIEVKADKX-TZMCWYRMSA-N 2 2 294.464 3.210 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1F ZINC000643502144 380324475 /nfs/dbraw/zinc/32/44/75/380324475.db2.gz YCUCENJOSJDZIB-DGCLKSJQSA-N 2 2 282.428 3.340 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(C)ccc1OC ZINC000643502129 380325168 /nfs/dbraw/zinc/32/51/68/380325168.db2.gz XRTCEYQUUBHVMG-HOCLYGCPSA-N 2 2 276.424 3.186 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2sccc21 ZINC000643502861 380326158 /nfs/dbraw/zinc/32/61/58/380326158.db2.gz UBCARZLDDMCORL-YRGRVCCFSA-N 2 2 264.438 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000643502961 380326216 /nfs/dbraw/zinc/32/62/16/380326216.db2.gz VZAIMWAKGXMBEB-MWLCHTKSSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC(F)F)cc1 ZINC000643505936 380326881 /nfs/dbraw/zinc/32/68/81/380326881.db2.gz FCVUUSKRURYIQS-CQSZACIVSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]CC[NH2+]C3CC3)oc2c1 ZINC000643507805 380329857 /nfs/dbraw/zinc/32/98/57/380329857.db2.gz PTMUEQIPTRJVNG-GFCCVEGCSA-N 2 2 258.365 3.144 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507706 380330040 /nfs/dbraw/zinc/33/00/40/380330040.db2.gz NENDMQMBVNNWAJ-CQSZACIVSA-N 2 2 276.424 3.268 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000643509061 380332118 /nfs/dbraw/zinc/33/21/18/380332118.db2.gz HCOFXMYLRQURHS-OALUTQOASA-N 2 2 280.415 3.224 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000643374885 380299918 /nfs/dbraw/zinc/29/99/18/380299918.db2.gz XNDNOJSRBGLPGX-BZSNNMDCSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000643374885 380299924 /nfs/dbraw/zinc/29/99/24/380299924.db2.gz XNDNOJSRBGLPGX-BZSNNMDCSA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](OC)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000643467416 380314056 /nfs/dbraw/zinc/31/40/56/380314056.db2.gz BENQFSIODFNXOO-PMPSAXMXSA-N 2 2 296.842 3.148 20 0 CGADLP CC[C@](C)([NH2+]C[C@@H]([NH3+])CC(C)C)c1nc(C)cs1 ZINC000414711303 380383832 /nfs/dbraw/zinc/38/38/32/380383832.db2.gz QYKRCSRRYLUHGS-JSGCOSHPSA-N 2 2 269.458 3.040 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000354290119 380388423 /nfs/dbraw/zinc/38/84/23/380388423.db2.gz QPNUNUHTRHXRCP-CYBMUJFWSA-N 2 2 283.375 3.347 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H](C[NH3+])C1 ZINC000414771433 380397334 /nfs/dbraw/zinc/39/73/34/380397334.db2.gz QXEOHUIFJOZATR-FZMZJTMJSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@H](C[NH3+])C1 ZINC000414771433 380397337 /nfs/dbraw/zinc/39/73/37/380397337.db2.gz QXEOHUIFJOZATR-FZMZJTMJSA-N 2 2 276.355 3.131 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527075 380342399 /nfs/dbraw/zinc/34/23/99/380342399.db2.gz JTOAXVNKKQGNAK-NWDGAFQWSA-N 2 2 260.381 3.301 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000643529095 380346598 /nfs/dbraw/zinc/34/65/98/380346598.db2.gz VEISOPLOXKSUMM-SVRRBLITSA-N 2 2 279.236 3.369 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)cc1 ZINC000643535785 380352879 /nfs/dbraw/zinc/35/28/79/380352879.db2.gz JJCCJGIZWFZCDS-IHRRRGAJSA-N 2 2 270.779 3.081 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc2ccccc21 ZINC000643537743 380354315 /nfs/dbraw/zinc/35/43/15/380354315.db2.gz PMHINPAJTTXSBQ-SNPRPXQTSA-N 2 2 272.367 3.190 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc2ccccc21 ZINC000643537742 380354657 /nfs/dbraw/zinc/35/46/57/380354657.db2.gz PMHINPAJTTXSBQ-QEJZJMRPSA-N 2 2 272.367 3.190 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414657587 380357326 /nfs/dbraw/zinc/35/73/26/380357326.db2.gz HTCILQNLCROHDK-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414657587 380357331 /nfs/dbraw/zinc/35/73/31/380357331.db2.gz HTCILQNLCROHDK-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414669943 380362166 /nfs/dbraw/zinc/36/21/66/380362166.db2.gz KDCZZCDDACMTIM-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414669943 380362168 /nfs/dbraw/zinc/36/21/68/380362168.db2.gz KDCZZCDDACMTIM-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414809516 380422829 /nfs/dbraw/zinc/42/28/29/380422829.db2.gz GTSAITGGTRZUSS-LBPRGKRZSA-N 2 2 292.320 3.452 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414815001 380426286 /nfs/dbraw/zinc/42/62/86/380426286.db2.gz OVTVSAJOBLZTFL-NSHDSACASA-N 2 2 281.400 3.043 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825172 380434513 /nfs/dbraw/zinc/43/45/13/380434513.db2.gz BVVJCRQYCMHVMN-SFHVURJKSA-N 2 2 284.403 3.047 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414831039 380440087 /nfs/dbraw/zinc/44/00/87/380440087.db2.gz BTJUESHODZUPJF-SECBINFHSA-N 2 2 280.359 3.230 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000414833802 380441727 /nfs/dbraw/zinc/44/17/27/380441727.db2.gz QGPHWSGNPNVCCT-SUMWQHHRSA-N 2 2 272.367 3.219 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])CC(C)C)s2)o1 ZINC000414835796 380444330 /nfs/dbraw/zinc/44/43/30/380444330.db2.gz HVYKMJQJCIOTLP-LBPRGKRZSA-N 2 2 293.436 3.175 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414842409 380447194 /nfs/dbraw/zinc/44/71/94/380447194.db2.gz MPWUVBLYRKWDKE-UHFFFAOYSA-N 2 2 282.815 3.100 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@](C)(O)CCC(C)C)c[nH+]1 ZINC000354467271 380449952 /nfs/dbraw/zinc/44/99/52/380449952.db2.gz RYCOKGIVDVUULF-QGZVFWFLSA-N 2 2 278.440 3.099 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414786840 380405029 /nfs/dbraw/zinc/40/50/29/380405029.db2.gz BIXAFSSQGSZHBK-HNNXBMFYSA-N 2 2 276.355 3.159 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414788362 380405210 /nfs/dbraw/zinc/40/52/10/380405210.db2.gz NQUXLLYTJCTXAO-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414788362 380405213 /nfs/dbraw/zinc/40/52/13/380405213.db2.gz NQUXLLYTJCTXAO-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414806524 380418661 /nfs/dbraw/zinc/41/86/61/380418661.db2.gz ZMVIQYUIKCEDBE-LBPRGKRZSA-N 2 2 291.222 3.075 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354559462 380485713 /nfs/dbraw/zinc/48/57/13/380485713.db2.gz FKLRWMKYESJSFE-UHFFFAOYSA-N 2 2 273.355 3.270 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414909002 380486152 /nfs/dbraw/zinc/48/61/52/380486152.db2.gz BRHZVNBDFVBWDA-KSSFIOAISA-N 2 2 288.435 3.096 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414937142 380495025 /nfs/dbraw/zinc/49/50/25/380495025.db2.gz CIJBKHSYMUAWAX-SECBINFHSA-N 2 2 261.196 3.081 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414933226 380495192 /nfs/dbraw/zinc/49/51/92/380495192.db2.gz UDHAUQWBDOBJHW-UXHZXRBQSA-N 2 2 288.435 3.076 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc2ccccc2c1 ZINC000414945248 380499559 /nfs/dbraw/zinc/49/95/59/380499559.db2.gz RIHOLLDWMAGQOK-DLBZAZTESA-N 2 2 286.444 3.325 20 0 CGADLP CC1(C)Cc2cccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)c2O1 ZINC000415072333 380506827 /nfs/dbraw/zinc/50/68/27/380506827.db2.gz XUMZCWWOYFTYGW-INIZCTEOSA-N 2 2 288.435 3.007 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCCOC(C)C)c[nH+]1 ZINC000354646811 380513195 /nfs/dbraw/zinc/51/31/95/380513195.db2.gz IOXGHHQEWIAKLM-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C3)s2)c1 ZINC000414886706 380474106 /nfs/dbraw/zinc/47/41/06/380474106.db2.gz QJHWFOFDHDYTBP-ZDUSSCGKSA-N 2 2 276.380 3.006 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C(C)C)C2(CO)CCC2)c[nH+]1 ZINC000644835356 380522410 /nfs/dbraw/zinc/52/24/10/380522410.db2.gz ZWBBWFIWINXWGQ-QGZVFWFLSA-N 2 2 290.451 3.099 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417357555 380607976 /nfs/dbraw/zinc/60/79/76/380607976.db2.gz RSFFVCGVUMNZEK-HIFRSBDPSA-N 2 2 258.409 3.227 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393675 380667307 /nfs/dbraw/zinc/66/73/07/380667307.db2.gz NAXJHJIITGLLAE-DOTOQJQBSA-N 2 2 292.854 3.345 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393675 380667311 /nfs/dbraw/zinc/66/73/11/380667311.db2.gz NAXJHJIITGLLAE-DOTOQJQBSA-N 2 2 292.854 3.345 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000645406937 380673571 /nfs/dbraw/zinc/67/35/71/380673571.db2.gz HBXPTPHJIYUBSA-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000645406937 380673576 /nfs/dbraw/zinc/67/35/76/380673576.db2.gz HBXPTPHJIYUBSA-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000417808179 380678127 /nfs/dbraw/zinc/67/81/27/380678127.db2.gz JFNGIHZCRHBGNF-DZGCQCFKSA-N 2 2 273.380 3.469 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000417808179 380678132 /nfs/dbraw/zinc/67/81/32/380678132.db2.gz JFNGIHZCRHBGNF-DZGCQCFKSA-N 2 2 273.380 3.469 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000356172584 380792411 /nfs/dbraw/zinc/79/24/11/380792411.db2.gz WDLOEKCKBWJPOU-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000356172584 380792418 /nfs/dbraw/zinc/79/24/18/380792418.db2.gz WDLOEKCKBWJPOU-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C2CC2)cc1 ZINC000419326426 380803617 /nfs/dbraw/zinc/80/36/17/380803617.db2.gz CFCBBABSMZLYLQ-ZDUSSCGKSA-N 2 2 255.365 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419332004 380805338 /nfs/dbraw/zinc/80/53/38/380805338.db2.gz JSNGPENJUUWMPW-LSDHHAIUSA-N 2 2 263.429 3.109 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419332004 380805347 /nfs/dbraw/zinc/80/53/47/380805347.db2.gz JSNGPENJUUWMPW-LSDHHAIUSA-N 2 2 263.429 3.109 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000646050941 380812511 /nfs/dbraw/zinc/81/25/11/380812511.db2.gz URAXSXZDYZVRPV-HZPDHXFCSA-N 2 2 275.440 3.421 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000646050941 380812518 /nfs/dbraw/zinc/81/25/18/380812518.db2.gz URAXSXZDYZVRPV-HZPDHXFCSA-N 2 2 275.440 3.421 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000356893266 380925519 /nfs/dbraw/zinc/92/55/19/380925519.db2.gz ISGVEENIESSUPF-AWEZNQCLSA-N 2 2 298.434 3.070 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000356973593 380964554 /nfs/dbraw/zinc/96/45/54/380964554.db2.gz CQKYREYTFGOJTO-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000356973593 380964563 /nfs/dbraw/zinc/96/45/63/380964563.db2.gz CQKYREYTFGOJTO-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000359465919 381347589 /nfs/dbraw/zinc/34/75/89/381347589.db2.gz LDNPAJXAYBFCAL-OWCLPIDISA-N 2 2 273.424 3.232 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000359465919 381347594 /nfs/dbraw/zinc/34/75/94/381347594.db2.gz LDNPAJXAYBFCAL-OWCLPIDISA-N 2 2 273.424 3.232 20 0 CGADLP CN(C)c1ccc(CNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000360224233 381487695 /nfs/dbraw/zinc/48/76/95/381487695.db2.gz GWLNDTHHQPDANA-UHFFFAOYSA-N 2 2 284.388 3.369 20 0 CGADLP CSC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423360559 295612390 /nfs/dbraw/zinc/61/23/90/295612390.db2.gz FSVNDHMCZFBLGY-JOYOIKCWSA-N 2 2 292.370 3.046 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481544 381766927 /nfs/dbraw/zinc/76/69/27/381766927.db2.gz OEQNHVMENYHYFR-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481544 381766933 /nfs/dbraw/zinc/76/69/33/381766933.db2.gz OEQNHVMENYHYFR-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000362516981 382031092 /nfs/dbraw/zinc/03/10/92/382031092.db2.gz VILMDZMMFOKPPB-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000232690285 542306587 /nfs/dbraw/zinc/30/65/87/542306587.db2.gz HUVLOKCKPRESQM-GOEBONIOSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000235206418 542310951 /nfs/dbraw/zinc/31/09/51/542310951.db2.gz ZAQXJBCBPMFHDQ-VXGBXAGGSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000235204914 542311708 /nfs/dbraw/zinc/31/17/08/542311708.db2.gz GJWOYHRNZOBUDO-DGCLKSJQSA-N 2 2 252.427 3.158 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC000367997130 382363420 /nfs/dbraw/zinc/36/34/20/382363420.db2.gz PNTRJMMGLNRHSZ-ZBFHGGJFSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000367997130 382363427 /nfs/dbraw/zinc/36/34/27/382363427.db2.gz PNTRJMMGLNRHSZ-ZBFHGGJFSA-N 2 2 281.403 3.324 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250893768 542344765 /nfs/dbraw/zinc/34/47/65/542344765.db2.gz NRQOJXJIHBUYLW-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250893768 542344769 /nfs/dbraw/zinc/34/47/69/542344769.db2.gz NRQOJXJIHBUYLW-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423447023 532975070 /nfs/dbraw/zinc/97/50/70/532975070.db2.gz OODHLNQOGFSNPU-UPJWGTAASA-N 2 2 258.365 3.333 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000423563168 533000947 /nfs/dbraw/zinc/00/09/47/533000947.db2.gz QWGILMGXSMUQTM-YPMHNXCESA-N 2 2 282.428 3.340 20 0 CGADLP CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353743849 220295996 /nfs/dbraw/zinc/29/59/96/220295996.db2.gz DMTUBMIVUZLICR-NVXWUHKLSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000353743849 220295998 /nfs/dbraw/zinc/29/59/98/220295998.db2.gz DMTUBMIVUZLICR-NVXWUHKLSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353743849 220296000 /nfs/dbraw/zinc/29/60/00/220296000.db2.gz DMTUBMIVUZLICR-NVXWUHKLSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000353743849 220296006 /nfs/dbraw/zinc/29/60/06/220296006.db2.gz DMTUBMIVUZLICR-NVXWUHKLSA-N 2 2 290.451 3.390 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751012 220304628 /nfs/dbraw/zinc/30/46/28/220304628.db2.gz ZNLQLGDHXNGKSZ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751012 220304630 /nfs/dbraw/zinc/30/46/30/220304630.db2.gz ZNLQLGDHXNGKSZ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751012 220304633 /nfs/dbraw/zinc/30/46/33/220304633.db2.gz ZNLQLGDHXNGKSZ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751012 220304635 /nfs/dbraw/zinc/30/46/35/220304635.db2.gz ZNLQLGDHXNGKSZ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770445 220319362 /nfs/dbraw/zinc/31/93/62/220319362.db2.gz UWFPAGLUQVOQJX-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770445 220319365 /nfs/dbraw/zinc/31/93/65/220319365.db2.gz UWFPAGLUQVOQJX-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770445 220319368 /nfs/dbraw/zinc/31/93/68/220319368.db2.gz UWFPAGLUQVOQJX-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2F)C[C@@H]1C ZINC000353770445 220319371 /nfs/dbraw/zinc/31/93/71/220319371.db2.gz UWFPAGLUQVOQJX-GXTWGEPZSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC4CCC3CC4)n2c1 ZINC000353805972 220341462 /nfs/dbraw/zinc/34/14/62/220341462.db2.gz PBNXRNXOOKFPPQ-ZBCRRDGASA-N 2 2 269.392 3.311 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000289284408 197283927 /nfs/dbraw/zinc/28/39/27/197283927.db2.gz OZBAJYZTZROCEC-MRXNPFEDSA-N 3 2 289.467 3.034 20 0 CGADLP COc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289253565 197276388 /nfs/dbraw/zinc/27/63/88/197276388.db2.gz MAHXQUZKRRIVMM-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CC3CCC2CC3)c[nH+]1 ZINC000353832006 220354496 /nfs/dbraw/zinc/35/44/96/220354496.db2.gz WSOGSCOUQUUPPC-PREGVCBESA-N 2 2 258.409 3.491 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000289209865 197264022 /nfs/dbraw/zinc/26/40/22/197264022.db2.gz IMHGMGKFFKZHQQ-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000289209865 197264023 /nfs/dbraw/zinc/26/40/23/197264023.db2.gz IMHGMGKFFKZHQQ-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000353872440 220378781 /nfs/dbraw/zinc/37/87/81/220378781.db2.gz VUCLGRZPXJNXCQ-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000353872440 220378782 /nfs/dbraw/zinc/37/87/82/220378782.db2.gz VUCLGRZPXJNXCQ-AWEZNQCLSA-N 2 2 269.392 3.493 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000423247299 533109575 /nfs/dbraw/zinc/10/95/75/533109575.db2.gz LBSOOBYNEARSFL-KDOFPFPSSA-N 2 2 284.403 3.354 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708705 296390566 /nfs/dbraw/zinc/39/05/66/296390566.db2.gz KTCWLTCTPMRBND-IYXRBSQSSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708705 296390567 /nfs/dbraw/zinc/39/05/67/296390567.db2.gz KTCWLTCTPMRBND-IYXRBSQSSA-N 2 2 274.399 3.132 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449170678 533174019 /nfs/dbraw/zinc/17/40/19/533174019.db2.gz IZFDMWRCQTZUGC-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449170678 533174021 /nfs/dbraw/zinc/17/40/21/533174021.db2.gz IZFDMWRCQTZUGC-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328335267 542443850 /nfs/dbraw/zinc/44/38/50/542443850.db2.gz IZMGVWZHOJGYQT-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328335267 542443851 /nfs/dbraw/zinc/44/38/51/542443851.db2.gz IZMGVWZHOJGYQT-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000342741533 542497744 /nfs/dbraw/zinc/49/77/44/542497744.db2.gz SFTRYCMVSAUZGH-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439745 542500888 /nfs/dbraw/zinc/50/08/88/542500888.db2.gz FWYZNSCDUCMMNO-PMPSAXMXSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439745 542500890 /nfs/dbraw/zinc/50/08/90/542500890.db2.gz FWYZNSCDUCMMNO-PMPSAXMXSA-N 2 2 298.434 3.006 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348275128 542517246 /nfs/dbraw/zinc/51/72/46/542517246.db2.gz CAOJLIQUJCFJKN-SQNIBIBYSA-N 2 2 288.435 3.076 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000222099569 262292566 /nfs/dbraw/zinc/29/25/66/262292566.db2.gz FJSMFJZNSONJJJ-WLYUNCDWSA-N 2 2 252.446 3.418 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000222099569 262292568 /nfs/dbraw/zinc/29/25/68/262292568.db2.gz FJSMFJZNSONJJJ-WLYUNCDWSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353465421 542556969 /nfs/dbraw/zinc/55/69/69/542556969.db2.gz UHSPTQRDYVWCDW-ZWKOTPCHSA-N 2 2 287.451 3.070 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353465419 542557257 /nfs/dbraw/zinc/55/72/57/542557257.db2.gz UHSPTQRDYVWCDW-QZTJIDSGSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424333086 533516446 /nfs/dbraw/zinc/51/64/46/533516446.db2.gz XJKMJNGXZMIKRJ-IUODEOHRSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000414226608 533652530 /nfs/dbraw/zinc/65/25/30/533652530.db2.gz JZMAMYFIBMYMCG-UKRRQHHQSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@H+]1C1CC1 ZINC000414226608 533652543 /nfs/dbraw/zinc/65/25/43/533652543.db2.gz JZMAMYFIBMYMCG-UKRRQHHQSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380300963 542595224 /nfs/dbraw/zinc/59/52/24/542595224.db2.gz HUSAXUAESCTERL-XEZPLFJOSA-N 2 2 287.432 3.417 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292242 542608657 /nfs/dbraw/zinc/60/86/57/542608657.db2.gz XVJTYXLHVFDAGJ-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292242 542608660 /nfs/dbraw/zinc/60/86/60/542608660.db2.gz XVJTYXLHVFDAGJ-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869231 542609863 /nfs/dbraw/zinc/60/98/63/542609863.db2.gz OGHMPAYKYQIEBU-KXBFYZLASA-N 2 2 296.414 3.002 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869231 542609867 /nfs/dbraw/zinc/60/98/67/542609867.db2.gz OGHMPAYKYQIEBU-KXBFYZLASA-N 2 2 296.414 3.002 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000403531373 542624105 /nfs/dbraw/zinc/62/41/05/542624105.db2.gz OIHWATGVIHHMPN-OAGGEKHMSA-N 2 2 262.441 3.031 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000403531373 542624110 /nfs/dbraw/zinc/62/41/10/542624110.db2.gz OIHWATGVIHHMPN-OAGGEKHMSA-N 2 2 262.441 3.031 20 0 CGADLP c1ccc(-c2cccc(C[NH2+]C[C@H]3CCC[NH2+]3)c2)cc1 ZINC000414847036 542639572 /nfs/dbraw/zinc/63/95/72/542639572.db2.gz NXHQLDNYCPRWNJ-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP CC1(C)CC([NH2+]Cc2cccnc2Cl)CC(C)(C)[NH2+]1 ZINC000105415689 392287632 /nfs/dbraw/zinc/28/76/32/392287632.db2.gz DVZGDTAZWHRZGO-UHFFFAOYSA-N 2 2 281.831 3.134 20 0 CGADLP CCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361713186 392301689 /nfs/dbraw/zinc/30/16/89/392301689.db2.gz FSTZGGMMLMRIEX-UHFFFAOYSA-N 2 2 257.381 3.413 20 0 CGADLP CCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361713186 392301693 /nfs/dbraw/zinc/30/16/93/392301693.db2.gz FSTZGGMMLMRIEX-UHFFFAOYSA-N 2 2 257.381 3.413 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000286038949 392367598 /nfs/dbraw/zinc/36/75/98/392367598.db2.gz KKYLGCBFOLBZOU-OOHWJJMZSA-N 2 2 290.451 3.009 20 0 CGADLP Clc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109795551 392374682 /nfs/dbraw/zinc/37/46/82/392374682.db2.gz RDPJKGJJIMORPN-UHFFFAOYSA-N 2 2 275.783 3.374 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000132635609 392462074 /nfs/dbraw/zinc/46/20/74/392462074.db2.gz OKRBRWZYISQQEH-YWPYICTPSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000132635609 392462081 /nfs/dbraw/zinc/46/20/81/392462081.db2.gz OKRBRWZYISQQEH-YWPYICTPSA-N 2 2 276.449 3.340 20 0 CGADLP c1cn2c([nH+]1)[C@H](Nc1ccc([NH+]3CCCCC3)cc1)CC2 ZINC000293873965 392529077 /nfs/dbraw/zinc/52/90/77/392529077.db2.gz FBZRZEDQCGMPOB-MRXNPFEDSA-N 2 2 282.391 3.430 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000152112400 392496901 /nfs/dbraw/zinc/49/69/01/392496901.db2.gz SFZUNACDYOWQKA-KRWDZBQOSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccco1 ZINC000152250996 392500297 /nfs/dbraw/zinc/50/02/97/392500297.db2.gz IOGIXRRIQSJIKM-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(C)cc1 ZINC000163290478 392604095 /nfs/dbraw/zinc/60/40/95/392604095.db2.gz WTHIOKVHSBFKCB-MSOLQXFVSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(C)cc1 ZINC000163290478 392604099 /nfs/dbraw/zinc/60/40/99/392604099.db2.gz WTHIOKVHSBFKCB-MSOLQXFVSA-N 2 2 290.451 3.147 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333502 392681874 /nfs/dbraw/zinc/68/18/74/392681874.db2.gz SVJIHAITJJSAFQ-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333502 392681880 /nfs/dbraw/zinc/68/18/80/392681880.db2.gz SVJIHAITJJSAFQ-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479402 392735171 /nfs/dbraw/zinc/73/51/71/392735171.db2.gz FYQXGHDVHLKCLU-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647479402 392735174 /nfs/dbraw/zinc/73/51/74/392735174.db2.gz FYQXGHDVHLKCLU-ZIAGYGMSSA-N 2 2 293.480 3.231 20 0 CGADLP Fc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647482962 392736558 /nfs/dbraw/zinc/73/65/58/392736558.db2.gz NAXBUHPJMWTYMS-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647482962 392736566 /nfs/dbraw/zinc/73/65/66/392736566.db2.gz NAXBUHPJMWTYMS-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP Clc1cscc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482593 392737101 /nfs/dbraw/zinc/73/71/01/392737101.db2.gz RUZACSRXIZEILS-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1cscc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482593 392737105 /nfs/dbraw/zinc/73/71/05/392737105.db2.gz RUZACSRXIZEILS-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647497740 392740817 /nfs/dbraw/zinc/74/08/17/392740817.db2.gz SYIZRRAPZNYAQE-IUODEOHRSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647497740 392740818 /nfs/dbraw/zinc/74/08/18/392740818.db2.gz SYIZRRAPZNYAQE-IUODEOHRSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000484288544 542707677 /nfs/dbraw/zinc/70/76/77/542707677.db2.gz AWVPYVCGLRKTRS-KCXAZCMYSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000484288544 542707681 /nfs/dbraw/zinc/70/76/81/542707681.db2.gz AWVPYVCGLRKTRS-KCXAZCMYSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000647534957 392755486 /nfs/dbraw/zinc/75/54/86/392755486.db2.gz ZHRSMRYBFJVATC-DVOMOZLQSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000647534957 392755493 /nfs/dbraw/zinc/75/54/93/392755493.db2.gz ZHRSMRYBFJVATC-DVOMOZLQSA-N 2 2 278.827 3.127 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccccc2F)CCC1 ZINC000647552984 392765954 /nfs/dbraw/zinc/76/59/54/392765954.db2.gz IWCNWSKAEKEEKF-ZDUSSCGKSA-N 2 2 264.388 3.168 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[NH+](C)C ZINC000510733282 392811605 /nfs/dbraw/zinc/81/16/05/392811605.db2.gz KCYPZOSIARCLSS-XHSDSOJGSA-N 2 2 272.452 3.471 20 0 CGADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933177 392836046 /nfs/dbraw/zinc/83/60/46/392836046.db2.gz DQZIZUFSMWYHHV-ZDUSSCGKSA-N 2 2 287.432 3.339 20 0 CGADLP C[C@@H](CCSc1ccccc1)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933177 392836052 /nfs/dbraw/zinc/83/60/52/392836052.db2.gz DQZIZUFSMWYHHV-ZDUSSCGKSA-N 2 2 287.432 3.339 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337501625 392888053 /nfs/dbraw/zinc/88/80/53/392888053.db2.gz BQBWRXILILRCPO-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCC2 ZINC000337501625 392888063 /nfs/dbraw/zinc/88/80/63/392888063.db2.gz BQBWRXILILRCPO-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337999950 392895353 /nfs/dbraw/zinc/89/53/53/392895353.db2.gz PDXXLDVJOJQCGE-CHWSQXEVSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000337999950 392895355 /nfs/dbraw/zinc/89/53/55/392895355.db2.gz PDXXLDVJOJQCGE-CHWSQXEVSA-N 2 2 294.389 3.112 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336478550 392859419 /nfs/dbraw/zinc/85/94/19/392859419.db2.gz DMWSJOPRIKDMJC-NRXISQOPSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382078939 392916473 /nfs/dbraw/zinc/91/64/73/392916473.db2.gz HVXKVYLSKZHQND-SLTXQBBLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382078939 392916478 /nfs/dbraw/zinc/91/64/78/392916478.db2.gz HVXKVYLSKZHQND-SLTXQBBLSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000519615397 392874172 /nfs/dbraw/zinc/87/41/72/392874172.db2.gz ZWDINOXZXSOTIY-DZGCQCFKSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000519615397 392874177 /nfs/dbraw/zinc/87/41/77/392874177.db2.gz ZWDINOXZXSOTIY-DZGCQCFKSA-N 2 2 299.418 3.067 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494440052 542720616 /nfs/dbraw/zinc/72/06/16/542720616.db2.gz WMGBNGUGSNSLBQ-CABCVRRESA-N 2 2 263.429 3.394 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513759879 542732628 /nfs/dbraw/zinc/73/26/28/542732628.db2.gz HLMXYBJDSQHOEB-ROUUACIJSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514086980 542733777 /nfs/dbraw/zinc/73/37/77/542733777.db2.gz DXWWTCKNRVOYNB-ROUUACIJSA-N 2 2 297.446 3.498 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccns1)[N@H+](C)Cc1ccccc1 ZINC000404453198 392966323 /nfs/dbraw/zinc/96/63/23/392966323.db2.gz NRHPUQXAXJLAHO-AWEZNQCLSA-N 2 2 289.448 3.143 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccns1)[N@@H+](C)Cc1ccccc1 ZINC000404453198 392966331 /nfs/dbraw/zinc/96/63/31/392966331.db2.gz NRHPUQXAXJLAHO-AWEZNQCLSA-N 2 2 289.448 3.143 20 0 CGADLP Cc1ccc2c(C)cc(NCCCCn3cc[nH+]c3)[nH+]c2c1 ZINC000545891387 393012048 /nfs/dbraw/zinc/01/20/48/393012048.db2.gz REHJSYRZQYRCMI-UHFFFAOYSA-N 2 2 294.402 3.362 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCc3ccccc3C2)c[nH+]1 ZINC000648431623 393013861 /nfs/dbraw/zinc/01/38/61/393013861.db2.gz MLBHFRNGZWSSQH-SFHVURJKSA-N 2 2 283.419 3.201 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000415039962 393108333 /nfs/dbraw/zinc/10/83/33/393108333.db2.gz NSIRJSHBDRCKRM-INIZCTEOSA-N 2 2 254.377 3.070 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415007291 393090952 /nfs/dbraw/zinc/09/09/52/393090952.db2.gz CMGMVSPDUSQNCK-LSDHHAIUSA-N 2 2 298.430 3.496 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000547268919 393101624 /nfs/dbraw/zinc/10/16/24/393101624.db2.gz SXBUHFRUUMCHIJ-CVEARBPZSA-N 2 2 250.430 3.197 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000547268919 393101631 /nfs/dbraw/zinc/10/16/31/393101631.db2.gz SXBUHFRUUMCHIJ-CVEARBPZSA-N 2 2 250.430 3.197 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414215108 393043821 /nfs/dbraw/zinc/04/38/21/393043821.db2.gz ZRNUULSULCBIAL-JZXOWHBKSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414215108 393043825 /nfs/dbraw/zinc/04/38/25/393043825.db2.gz ZRNUULSULCBIAL-JZXOWHBKSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839968 393056784 /nfs/dbraw/zinc/05/67/84/393056784.db2.gz WVCXQWLJANBMAU-JQWIXIFHSA-N 2 2 260.303 3.007 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414961915 393067243 /nfs/dbraw/zinc/06/72/43/393067243.db2.gz WGWQVOCKFVRAPP-ZANVPECISA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056182 393117702 /nfs/dbraw/zinc/11/77/02/393117702.db2.gz RVPRUHAVUSLTTQ-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415056182 393117708 /nfs/dbraw/zinc/11/77/08/393117708.db2.gz RVPRUHAVUSLTTQ-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1C(F)(F)F ZINC000415077642 393131526 /nfs/dbraw/zinc/13/15/26/393131526.db2.gz UNYQRSVKFDARTC-CYBMUJFWSA-N 2 2 286.341 3.246 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415081668 393134467 /nfs/dbraw/zinc/13/44/67/393134467.db2.gz NCGCLYWZQCNXLK-NWDGAFQWSA-N 2 2 281.469 3.091 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415087271 393139350 /nfs/dbraw/zinc/13/93/50/393139350.db2.gz SQUASMWHSBBHOK-GDBMZVCRSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000261544930 393140438 /nfs/dbraw/zinc/14/04/38/393140438.db2.gz FGTJEUGJUFFFEH-NSHDSACASA-N 2 2 297.240 3.194 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1OC(F)F ZINC000415089400 393140935 /nfs/dbraw/zinc/14/09/35/393140935.db2.gz WNOJXXNHWJPTCB-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000415131673 393156500 /nfs/dbraw/zinc/15/65/00/393156500.db2.gz ZYPLCIXKWOSFAG-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000415131673 393156502 /nfs/dbraw/zinc/15/65/02/393156502.db2.gz ZYPLCIXKWOSFAG-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353615188 393227203 /nfs/dbraw/zinc/22/72/03/393227203.db2.gz YOJLBTIOBINHFJ-ZFWWWQNUSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353615188 393227207 /nfs/dbraw/zinc/22/72/07/393227207.db2.gz YOJLBTIOBINHFJ-ZFWWWQNUSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269696581 393230896 /nfs/dbraw/zinc/23/08/96/393230896.db2.gz XKDUOYLXFXBYPK-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269696581 393230905 /nfs/dbraw/zinc/23/09/05/393230905.db2.gz XKDUOYLXFXBYPK-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269696581 393230912 /nfs/dbraw/zinc/23/09/12/393230912.db2.gz XKDUOYLXFXBYPK-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269696581 393230919 /nfs/dbraw/zinc/23/09/19/393230919.db2.gz XKDUOYLXFXBYPK-HFTRVMKXSA-N 2 2 285.435 3.091 20 0 CGADLP Cc1cccc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)[nH+]1 ZINC000354880865 393250227 /nfs/dbraw/zinc/25/02/27/393250227.db2.gz OUMOHBXTHRGLSH-XHSDSOJGSA-N 2 2 273.424 3.232 20 0 CGADLP Cc1cccc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)[nH+]1 ZINC000354880865 393250233 /nfs/dbraw/zinc/25/02/33/393250233.db2.gz OUMOHBXTHRGLSH-XHSDSOJGSA-N 2 2 273.424 3.232 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]CCn3cc[nH+]c3)c(C)c2c1 ZINC000268750918 393202933 /nfs/dbraw/zinc/20/29/33/393202933.db2.gz XLQDTLPHZYYWNU-ZDUSSCGKSA-N 2 2 299.374 3.297 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CO[C@H](C)C3)ccc2n1C1CC1 ZINC000647209401 393388972 /nfs/dbraw/zinc/38/89/72/393388972.db2.gz HHHSOMJUENRVTP-OCCSQVGLSA-N 2 2 299.418 3.201 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CO[C@H](C)C3)ccc2n1C1CC1 ZINC000647209402 393389950 /nfs/dbraw/zinc/38/99/50/393389950.db2.gz HHHSOMJUENRVTP-TZMCWYRMSA-N 2 2 299.418 3.201 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)c[nH+]1 ZINC000649287137 393392398 /nfs/dbraw/zinc/39/23/98/393392398.db2.gz HRWKRTCRTQSEHT-INIZCTEOSA-N 2 2 297.402 3.261 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)c[nH+]1 ZINC000649287137 393392401 /nfs/dbraw/zinc/39/24/01/393392401.db2.gz HRWKRTCRTQSEHT-INIZCTEOSA-N 2 2 297.402 3.261 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647170709 393367307 /nfs/dbraw/zinc/36/73/07/393367307.db2.gz KRDQHLOHGORILB-ZDUSSCGKSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647171591 393367416 /nfs/dbraw/zinc/36/74/16/393367416.db2.gz OXWRPPGTHNWCSA-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000647171591 393367420 /nfs/dbraw/zinc/36/74/20/393367420.db2.gz OXWRPPGTHNWCSA-CHWSQXEVSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC(C)CC3)cn21 ZINC000647262862 393420953 /nfs/dbraw/zinc/42/09/53/393420953.db2.gz VEAGAMQQKWLKLX-UHFFFAOYSA-N 2 2 271.408 3.354 20 0 CGADLP CC(C)c1nc(N2CC[C@H]([NH3+])[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000420184037 393433704 /nfs/dbraw/zinc/43/37/04/393433704.db2.gz ISKKHUMQGFPVJX-STQMWFEESA-N 2 2 290.455 3.071 20 0 CGADLP CC[C@H](C[NH2+][C@H]1c2ccccc2C[C@@H]1C)[NH+]1CCCC1 ZINC000480817574 393436993 /nfs/dbraw/zinc/43/69/93/393436993.db2.gz MDPMXPPBPNDSLG-YXJHDRRASA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486855998 393449006 /nfs/dbraw/zinc/44/90/06/393449006.db2.gz NKMOZMAWTUZCJM-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486855998 393449007 /nfs/dbraw/zinc/44/90/07/393449007.db2.gz NKMOZMAWTUZCJM-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000420397977 393482893 /nfs/dbraw/zinc/48/28/93/393482893.db2.gz GQTDZHJSNLDQBG-VIFPVBQESA-N 2 2 261.196 3.254 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315293 393460517 /nfs/dbraw/zinc/46/05/17/393460517.db2.gz LNMWTWVLGHKOHJ-MNOVXSKESA-N 2 2 252.789 3.213 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315293 393460521 /nfs/dbraw/zinc/46/05/21/393460521.db2.gz LNMWTWVLGHKOHJ-MNOVXSKESA-N 2 2 252.789 3.213 20 0 CGADLP CCC[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907996 393540625 /nfs/dbraw/zinc/54/06/25/393540625.db2.gz WCCXMDMPROTSJP-INIZCTEOSA-N 2 2 290.451 3.139 20 0 CGADLP CCC[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907996 393540626 /nfs/dbraw/zinc/54/06/26/393540626.db2.gz WCCXMDMPROTSJP-INIZCTEOSA-N 2 2 290.451 3.139 20 0 CGADLP Cc1sc([C@@H](C)[NH2+]CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420414699 393485713 /nfs/dbraw/zinc/48/57/13/393485713.db2.gz USQPQESTLXQUAI-SECBINFHSA-N 2 2 295.839 3.381 20 0 CGADLP Fc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH]c2c1 ZINC000488349137 393492458 /nfs/dbraw/zinc/49/24/58/393492458.db2.gz NMKFRNKARGEPGC-ZDUSSCGKSA-N 2 2 298.365 3.410 20 0 CGADLP Fc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH]c2c1 ZINC000488349137 393492463 /nfs/dbraw/zinc/49/24/63/393492463.db2.gz NMKFRNKARGEPGC-ZDUSSCGKSA-N 2 2 298.365 3.410 20 0 CGADLP COc1cccc([C@H](C[NH2+]C[C@@H]2C[C@H]2C)[NH+]2CCCC2)c1 ZINC000488435634 393511700 /nfs/dbraw/zinc/51/17/00/393511700.db2.gz AQXWSCYMYSTFSM-HFTRVMKXSA-N 2 2 288.435 3.078 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000488442391 393514141 /nfs/dbraw/zinc/51/41/41/393514141.db2.gz MLFNPGNROZNXPP-HIEASXQVSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000488442391 393514145 /nfs/dbraw/zinc/51/41/45/393514145.db2.gz MLFNPGNROZNXPP-HIEASXQVSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CS1 ZINC000488452274 393519508 /nfs/dbraw/zinc/51/95/08/393519508.db2.gz UXMWAJTWMBZLGL-BBWFWOEESA-N 2 2 296.524 3.371 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CS1 ZINC000488452274 393519514 /nfs/dbraw/zinc/51/95/14/393519514.db2.gz UXMWAJTWMBZLGL-BBWFWOEESA-N 2 2 296.524 3.371 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358135466 393520249 /nfs/dbraw/zinc/52/02/49/393520249.db2.gz RQLSLYAJNUQEKU-COJSNBRMSA-N 2 2 270.420 3.450 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000358135466 393520254 /nfs/dbraw/zinc/52/02/54/393520254.db2.gz RQLSLYAJNUQEKU-COJSNBRMSA-N 2 2 270.420 3.450 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000430094680 393521183 /nfs/dbraw/zinc/52/11/83/393521183.db2.gz AOLAIHJVGDSOPU-HNNXBMFYSA-N 2 2 293.480 3.215 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000430094680 393521189 /nfs/dbraw/zinc/52/11/89/393521189.db2.gz AOLAIHJVGDSOPU-HNNXBMFYSA-N 2 2 293.480 3.215 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000427875940 285539910 /nfs/dbraw/zinc/53/99/10/285539910.db2.gz LLVZTYHQZPKKQC-WBVHZDCISA-N 2 2 281.403 3.255 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)o2)cc1 ZINC000430557994 393574080 /nfs/dbraw/zinc/57/40/80/393574080.db2.gz PDOOOZDLRNYEJV-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)o2)cc1 ZINC000430557994 393574084 /nfs/dbraw/zinc/57/40/84/393574084.db2.gz PDOOOZDLRNYEJV-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1cccc2ccccc21 ZINC000430562183 393575342 /nfs/dbraw/zinc/57/53/42/393575342.db2.gz PVWBGWJSXOASEU-KRWDZBQOSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1cccc2ccccc21 ZINC000430562183 393575346 /nfs/dbraw/zinc/57/53/46/393575346.db2.gz PVWBGWJSXOASEU-KRWDZBQOSA-N 2 2 298.430 3.293 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430568436 393576967 /nfs/dbraw/zinc/57/69/67/393576967.db2.gz CFONTRSEIQBHRL-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430568436 393576973 /nfs/dbraw/zinc/57/69/73/393576973.db2.gz CFONTRSEIQBHRL-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP c1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(OC2CCCC2)c1 ZINC000666768802 542814977 /nfs/dbraw/zinc/81/49/77/542814977.db2.gz NBQBEUWFZYNXIU-MRXNPFEDSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]CCSCc2ccccc2)C1 ZINC000430738117 393592270 /nfs/dbraw/zinc/59/22/70/393592270.db2.gz DDVWJQJUYQPCLU-INIZCTEOSA-N 2 2 292.492 3.241 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]CCSCc2ccccc2)C1 ZINC000430738117 393592273 /nfs/dbraw/zinc/59/22/73/393592273.db2.gz DDVWJQJUYQPCLU-INIZCTEOSA-N 2 2 292.492 3.241 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000666858081 542821924 /nfs/dbraw/zinc/82/19/24/542821924.db2.gz WFTBZSBAWKYDQK-NSHDSACASA-N 2 2 270.779 3.019 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000430592335 393579936 /nfs/dbraw/zinc/57/99/36/393579936.db2.gz QGZOGIHRDQNAOO-CVEARBPZSA-N 2 2 290.476 3.222 20 0 CGADLP Cc1ccc(SCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000430592335 393579941 /nfs/dbraw/zinc/57/99/41/393579941.db2.gz QGZOGIHRDQNAOO-CVEARBPZSA-N 2 2 290.476 3.222 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)on2)cc1 ZINC000430599105 393580247 /nfs/dbraw/zinc/58/02/47/393580247.db2.gz PYFPUPDTWTVCEO-KRWDZBQOSA-N 2 2 287.407 3.113 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319481 393679578 /nfs/dbraw/zinc/67/95/78/393679578.db2.gz DLOKTMWPZWHMHR-IFXJQAMLSA-N 2 2 284.447 3.138 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319481 393679581 /nfs/dbraw/zinc/67/95/81/393679581.db2.gz DLOKTMWPZWHMHR-IFXJQAMLSA-N 2 2 284.447 3.138 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964464 393626278 /nfs/dbraw/zinc/62/62/78/393626278.db2.gz RZUVRQRIRPDUSA-XJKSGUPXSA-N 2 2 282.391 3.032 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc[nH+]1 ZINC000360964464 393626280 /nfs/dbraw/zinc/62/62/80/393626280.db2.gz RZUVRQRIRPDUSA-XJKSGUPXSA-N 2 2 282.391 3.032 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327514 393681770 /nfs/dbraw/zinc/68/17/70/393681770.db2.gz MSOIKWCOODROBO-GRGSLBFTSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327514 393681778 /nfs/dbraw/zinc/68/17/78/393681778.db2.gz MSOIKWCOODROBO-GRGSLBFTSA-N 2 2 299.462 3.070 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000360985668 393629988 /nfs/dbraw/zinc/62/99/88/393629988.db2.gz IBOGMIHBGFDUTQ-BXUZGUMPSA-N 2 2 283.485 3.469 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC000360988417 393630967 /nfs/dbraw/zinc/63/09/67/393630967.db2.gz YUIQXVTVDFUPQU-JSGCOSHPSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000360988417 393630969 /nfs/dbraw/zinc/63/09/69/393630969.db2.gz YUIQXVTVDFUPQU-JSGCOSHPSA-N 2 2 281.469 3.223 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000421833262 393634295 /nfs/dbraw/zinc/63/42/95/393634295.db2.gz NMUVVVGZMLZYQA-XQQFMLRXSA-N 2 2 281.831 3.258 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423257952 393656329 /nfs/dbraw/zinc/65/63/29/393656329.db2.gz AVCLTTBVZVJHBC-JSGCOSHPSA-N 2 2 282.428 3.326 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423270503 393657205 /nfs/dbraw/zinc/65/72/05/393657205.db2.gz GLENLQZEPPXZKQ-QWHCGFSZSA-N 2 2 282.840 3.204 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000492419453 393732582 /nfs/dbraw/zinc/73/25/82/393732582.db2.gz VKNYINCURFTDCD-YUSALJHKSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000492419453 393732586 /nfs/dbraw/zinc/73/25/86/393732586.db2.gz VKNYINCURFTDCD-YUSALJHKSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000443214449 393749878 /nfs/dbraw/zinc/74/98/78/393749878.db2.gz KWUKXHDEOKDSOJ-NUJGCVRESA-N 2 2 290.451 3.145 20 0 CGADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]cn1C(C)C ZINC000425336804 393692663 /nfs/dbraw/zinc/69/26/63/393692663.db2.gz LWGKJTDEEPXOJN-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1[nH+]ccn1C ZINC000361187946 393698136 /nfs/dbraw/zinc/69/81/36/393698136.db2.gz JYIKDRLYTRNUHV-AWEZNQCLSA-N 2 2 270.380 3.257 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495021998 393777010 /nfs/dbraw/zinc/77/70/10/393777010.db2.gz BBDDJTYVOFMTAV-VNHYZAJKSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495021998 393777012 /nfs/dbraw/zinc/77/70/12/393777012.db2.gz BBDDJTYVOFMTAV-VNHYZAJKSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950654 393865306 /nfs/dbraw/zinc/86/53/06/393865306.db2.gz UHFYYKQRLMVOMJ-IUODEOHRSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950654 393865311 /nfs/dbraw/zinc/86/53/11/393865311.db2.gz UHFYYKQRLMVOMJ-IUODEOHRSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)CCC2 ZINC000449166816 393876050 /nfs/dbraw/zinc/87/60/50/393876050.db2.gz GHOXKFRHHDLOAX-DARAHFNDSA-N 2 2 275.440 3.483 20 0 CGADLP Clc1sccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993717 542832647 /nfs/dbraw/zinc/83/26/47/542832647.db2.gz GGDSTEWOOGKFJC-NSHDSACASA-N 2 2 270.829 3.166 20 0 CGADLP CC[C@@]1(C)CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483747 394001348 /nfs/dbraw/zinc/00/13/48/394001348.db2.gz KDQCLVKYMNMJIA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483747 394001353 /nfs/dbraw/zinc/00/13/53/394001353.db2.gz KDQCLVKYMNMJIA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450483747 394001357 /nfs/dbraw/zinc/00/13/57/394001357.db2.gz KDQCLVKYMNMJIA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450483747 394001362 /nfs/dbraw/zinc/00/13/62/394001362.db2.gz KDQCLVKYMNMJIA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453068898 394160404 /nfs/dbraw/zinc/16/04/04/394160404.db2.gz JYUOGALXVFUFPN-IJEWVQPXSA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453068898 394160408 /nfs/dbraw/zinc/16/04/08/394160408.db2.gz JYUOGALXVFUFPN-IJEWVQPXSA-N 2 2 296.480 3.288 20 0 CGADLP CCC(C)(C)OCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000453611363 394258529 /nfs/dbraw/zinc/25/85/29/394258529.db2.gz IAGGYPOSUMWYLA-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC2(C3CCC3)CCC2)[nH+]1 ZINC000453579906 394249718 /nfs/dbraw/zinc/24/97/18/394249718.db2.gz FFMTYQGYWSYYLC-UHFFFAOYSA-N 2 2 269.392 3.394 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)n1C ZINC000667502698 542880015 /nfs/dbraw/zinc/88/00/15/542880015.db2.gz MRQQDUSGSFAHIK-MRXNPFEDSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)n1C ZINC000667502698 542880018 /nfs/dbraw/zinc/88/00/18/542880018.db2.gz MRQQDUSGSFAHIK-MRXNPFEDSA-N 2 2 261.413 3.273 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)n1C ZINC000667503377 542880205 /nfs/dbraw/zinc/88/02/05/542880205.db2.gz KBEKPMZIRKWTOP-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccccc2C)n1C ZINC000667503377 542880208 /nfs/dbraw/zinc/88/02/08/542880208.db2.gz KBEKPMZIRKWTOP-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667590522 542894511 /nfs/dbraw/zinc/89/45/11/542894511.db2.gz XVPSYOIYQAYWMB-QGZVFWFLSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667590522 542894513 /nfs/dbraw/zinc/89/45/13/542894513.db2.gz XVPSYOIYQAYWMB-QGZVFWFLSA-N 2 2 295.430 3.345 20 0 CGADLP COCC[N@H+](Cc1c[nH+]c2n1CCC2)[C@H](C)c1ccccc1 ZINC000667520160 542884493 /nfs/dbraw/zinc/88/44/93/542884493.db2.gz SFEHNOGEGFWVQU-OAHLLOKOSA-N 2 2 299.418 3.039 20 0 CGADLP COCC[N@@H+](Cc1c[nH+]c2n1CCC2)[C@H](C)c1ccccc1 ZINC000667520160 542884496 /nfs/dbraw/zinc/88/44/96/542884496.db2.gz SFEHNOGEGFWVQU-OAHLLOKOSA-N 2 2 299.418 3.039 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCc2ccccc2C1 ZINC000667551567 542888377 /nfs/dbraw/zinc/88/83/77/542888377.db2.gz PKANQNODQFTIKS-GOSISDBHSA-N 2 2 297.446 3.498 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCc2ccccc2C1 ZINC000667551567 542888380 /nfs/dbraw/zinc/88/83/80/542888380.db2.gz PKANQNODQFTIKS-GOSISDBHSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)n1C ZINC000667654653 542907165 /nfs/dbraw/zinc/90/71/65/542907165.db2.gz HMEIHFSNQSFZRC-YVEFUNNKSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)n1C ZINC000667654653 542907166 /nfs/dbraw/zinc/90/71/66/542907166.db2.gz HMEIHFSNQSFZRC-YVEFUNNKSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)n1C ZINC000667671179 542914636 /nfs/dbraw/zinc/91/46/36/542914636.db2.gz KFVDFSUOQUXFKE-RHSMWYFYSA-N 2 2 283.419 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)n1C ZINC000667671179 542914639 /nfs/dbraw/zinc/91/46/39/542914639.db2.gz KFVDFSUOQUXFKE-RHSMWYFYSA-N 2 2 283.419 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1C ZINC000667683645 542915740 /nfs/dbraw/zinc/91/57/40/542915740.db2.gz WYQLMLUEATYSOF-SWLSCSKDSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n1C ZINC000667683645 542915744 /nfs/dbraw/zinc/91/57/44/542915744.db2.gz WYQLMLUEATYSOF-SWLSCSKDSA-N 2 2 273.380 3.295 20 0 CGADLP CC(C)(C)C1=CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667712071 542921337 /nfs/dbraw/zinc/92/13/37/542921337.db2.gz XPFJXOKRLZXGPR-UHFFFAOYSA-N 2 2 296.418 3.446 20 0 CGADLP CC(C)(C)C1=CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667712071 542921340 /nfs/dbraw/zinc/92/13/40/542921340.db2.gz XPFJXOKRLZXGPR-UHFFFAOYSA-N 2 2 296.418 3.446 20 0 CGADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1([NH+]2CCSCC2)CCCC1 ZINC000667783056 542928402 /nfs/dbraw/zinc/92/84/02/542928402.db2.gz DRNBMYWTYVHZPW-OWCLPIDISA-N 2 2 294.508 3.126 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000667798273 542930647 /nfs/dbraw/zinc/93/06/47/542930647.db2.gz LJVAVSHWUFAEGU-VNQPRFMTSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972097 542951992 /nfs/dbraw/zinc/95/19/92/542951992.db2.gz FSDLZXCZXTZYLB-MRXNPFEDSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972097 542951996 /nfs/dbraw/zinc/95/19/96/542951996.db2.gz FSDLZXCZXTZYLB-MRXNPFEDSA-N 2 2 295.430 3.436 20 0 CGADLP C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098806 542969139 /nfs/dbraw/zinc/96/91/39/542969139.db2.gz RWHWIRXUGYZZDV-SFHVURJKSA-N 2 2 299.393 3.132 20 0 CGADLP C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098806 542969143 /nfs/dbraw/zinc/96/91/43/542969143.db2.gz RWHWIRXUGYZZDV-SFHVURJKSA-N 2 2 299.393 3.132 20 0 CGADLP CCCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000668171910 542980460 /nfs/dbraw/zinc/98/04/60/542980460.db2.gz YGHXRPZVYCRJFC-OAHLLOKOSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(F)cc21 ZINC000668291698 543002589 /nfs/dbraw/zinc/00/25/89/543002589.db2.gz SQYTWSCRRMRWRV-ZDUSSCGKSA-N 2 2 299.393 3.130 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(F)cc21 ZINC000668291698 543002593 /nfs/dbraw/zinc/00/25/93/543002593.db2.gz SQYTWSCRRMRWRV-ZDUSSCGKSA-N 2 2 299.393 3.130 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CC2 ZINC000668616802 543036080 /nfs/dbraw/zinc/03/60/80/543036080.db2.gz QVEWHFIOYJMYMO-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cn1 ZINC000668616163 543035757 /nfs/dbraw/zinc/03/57/57/543035757.db2.gz HRJZCTQQUCJMJA-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000668616163 543035759 /nfs/dbraw/zinc/03/57/59/543035759.db2.gz HRJZCTQQUCJMJA-QGZVFWFLSA-N 3 2 289.467 3.033 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+](C)C)cc1 ZINC000671096968 543158742 /nfs/dbraw/zinc/15/87/42/543158742.db2.gz WVSFXNMZXFSRFR-RHSMWYFYSA-N 2 2 292.467 3.255 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427868165 292108782 /nfs/dbraw/zinc/10/87/82/292108782.db2.gz CWVSBSJYUNJBSV-ZWKOTPCHSA-N 2 2 297.446 3.363 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000020092014 397605080 /nfs/dbraw/zinc/60/50/80/397605080.db2.gz WODZAWSIUAHPIP-CHWSQXEVSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000020092014 397605082 /nfs/dbraw/zinc/60/50/82/397605082.db2.gz WODZAWSIUAHPIP-CHWSQXEVSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811090 397725658 /nfs/dbraw/zinc/72/56/58/397725658.db2.gz FCTDSDOOCBVPML-HNNXBMFYSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811090 397725659 /nfs/dbraw/zinc/72/56/59/397725659.db2.gz FCTDSDOOCBVPML-HNNXBMFYSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674677472 543293038 /nfs/dbraw/zinc/29/30/38/543293038.db2.gz YUYPYQSWTDUWTO-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674677472 543293040 /nfs/dbraw/zinc/29/30/40/543293040.db2.gz YUYPYQSWTDUWTO-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1F ZINC000675766259 543362573 /nfs/dbraw/zinc/36/25/73/543362573.db2.gz ITEHVUQNEYOIBH-WCQYABFASA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000675766259 543362575 /nfs/dbraw/zinc/36/25/75/543362575.db2.gz ITEHVUQNEYOIBH-WCQYABFASA-N 2 2 282.428 3.292 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675735727 543359132 /nfs/dbraw/zinc/35/91/32/543359132.db2.gz VSKMQRUOGRHEKT-DDUZABMNSA-N 2 2 270.420 3.309 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675735727 543359134 /nfs/dbraw/zinc/35/91/34/543359134.db2.gz VSKMQRUOGRHEKT-DDUZABMNSA-N 2 2 270.420 3.309 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675743054 543360118 /nfs/dbraw/zinc/36/01/18/543360118.db2.gz DEYOJEIAQOEMDE-IAGOWNOFSA-N 2 2 274.452 3.390 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917463 543373783 /nfs/dbraw/zinc/37/37/83/543373783.db2.gz BTCWHRUDZSAABK-HOCLYGCPSA-N 2 2 271.408 3.338 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000677127551 543434079 /nfs/dbraw/zinc/43/40/79/543434079.db2.gz MWNGPNIAFVQVET-ISBHARSQSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000677127551 543434081 /nfs/dbraw/zinc/43/40/81/543434081.db2.gz MWNGPNIAFVQVET-ISBHARSQSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[N@@H+]1C1CC1 ZINC000677129881 543434931 /nfs/dbraw/zinc/43/49/31/543434931.db2.gz GJWHXRRGNAXPBJ-MOCULFSLSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[N@H+]1C1CC1 ZINC000677129881 543434934 /nfs/dbraw/zinc/43/49/34/543434934.db2.gz GJWHXRRGNAXPBJ-MOCULFSLSA-N 2 2 292.373 3.167 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000677983541 543475248 /nfs/dbraw/zinc/47/52/48/543475248.db2.gz DGDBHUJXRRFLSQ-GOSISDBHSA-N 2 2 283.419 3.447 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000677983541 543475252 /nfs/dbraw/zinc/47/52/52/543475252.db2.gz DGDBHUJXRRFLSQ-GOSISDBHSA-N 2 2 283.419 3.447 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234797 543498330 /nfs/dbraw/zinc/49/83/30/543498330.db2.gz LEJUZINBAYJLAJ-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234797 543498332 /nfs/dbraw/zinc/49/83/32/543498332.db2.gz LEJUZINBAYJLAJ-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CC(C)(C)C ZINC000678343240 543516917 /nfs/dbraw/zinc/51/69/17/543516917.db2.gz NFIJWQRUCCVZTE-UHFFFAOYSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000678361499 543518136 /nfs/dbraw/zinc/51/81/36/543518136.db2.gz DLFKIYFLJVZBRH-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000678590038 543538453 /nfs/dbraw/zinc/53/84/53/543538453.db2.gz YSNZZMRTDFZZCW-VKJFTORMSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000678590038 543538455 /nfs/dbraw/zinc/53/84/55/543538455.db2.gz YSNZZMRTDFZZCW-VKJFTORMSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccn1C ZINC000678764998 543553984 /nfs/dbraw/zinc/55/39/84/543553984.db2.gz VPBRMNGRWLZCNJ-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000678795953 543559349 /nfs/dbraw/zinc/55/93/49/543559349.db2.gz LLNHRAVQACVBNN-MRXNPFEDSA-N 2 2 282.378 3.347 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922905 543571824 /nfs/dbraw/zinc/57/18/24/543571824.db2.gz VCSQYQJOAALZPG-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922905 543571827 /nfs/dbraw/zinc/57/18/27/543571827.db2.gz VCSQYQJOAALZPG-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1(CC)CC ZINC000678928760 543573273 /nfs/dbraw/zinc/57/32/73/543573273.db2.gz UPYVCJZYRCSMAK-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1(CC)CC ZINC000678928760 543573277 /nfs/dbraw/zinc/57/32/77/543573277.db2.gz UPYVCJZYRCSMAK-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000678993957 543580169 /nfs/dbraw/zinc/58/01/69/543580169.db2.gz ARBUYZJPIOFFAH-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000678993957 543580171 /nfs/dbraw/zinc/58/01/71/543580171.db2.gz ARBUYZJPIOFFAH-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000474705118 286151136 /nfs/dbraw/zinc/15/11/36/286151136.db2.gz CBHOQTGKLRHFMD-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000474705118 286151137 /nfs/dbraw/zinc/15/11/37/286151137.db2.gz CBHOQTGKLRHFMD-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP c1csc([C@H](C[NH2+]C[C@H]2CCC=CO2)[NH+]2CCCC2)c1 ZINC000194178431 296640708 /nfs/dbraw/zinc/64/07/08/296640708.db2.gz JBCRXXQHAFHXHS-CABCVRRESA-N 2 2 292.448 3.167 20 0 CGADLP CCC[C@@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000560069811 289568896 /nfs/dbraw/zinc/56/88/96/289568896.db2.gz GNCLLLBOQQRBTB-RHSMWYFYSA-N 2 2 278.440 3.324 20 0 CGADLP Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710596 165056120 /nfs/dbraw/zinc/05/61/20/165056120.db2.gz QXUOJKJGQJOWIK-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000078463155 165133460 /nfs/dbraw/zinc/13/34/60/165133460.db2.gz UOXNTEBZNFKQAL-KRWDZBQOSA-N 2 2 296.418 3.058 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC=CCC2)n1-c1ccccc1 ZINC000081292738 165165169 /nfs/dbraw/zinc/16/51/69/165165169.db2.gz RVCZUDSWNFBOKS-HNNXBMFYSA-N 2 2 267.376 3.379 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)c(Br)c1 ZINC000088750681 165194532 /nfs/dbraw/zinc/19/45/32/165194532.db2.gz KGBARAJUEHXUGI-QMMMGPOBSA-N 2 2 298.159 3.162 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000090858057 165247841 /nfs/dbraw/zinc/24/78/41/165247841.db2.gz BGBQZJIPPSYNKH-QGTPRVQTSA-N 2 2 299.418 3.481 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092196097 165288351 /nfs/dbraw/zinc/28/83/51/165288351.db2.gz FVBMCOMTBXZCDM-ZDUSSCGKSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)c[nH+]c12 ZINC000092485671 165297323 /nfs/dbraw/zinc/29/73/23/165297323.db2.gz JTSYEOZGMNQJBC-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccn2c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)c[nH+]c12 ZINC000092485671 165297325 /nfs/dbraw/zinc/29/73/25/165297325.db2.gz JTSYEOZGMNQJBC-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccsc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648790 165308500 /nfs/dbraw/zinc/30/85/00/165308500.db2.gz DCOUYQZPKGYRTP-UHFFFAOYSA-N 2 2 261.394 3.090 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644589 287117954 /nfs/dbraw/zinc/11/79/54/287117954.db2.gz IQUABCUQOYRSTH-XUOJHOASSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)cc2)CC[N@H+]1C ZINC000093644589 287117958 /nfs/dbraw/zinc/11/79/58/287117958.db2.gz IQUABCUQOYRSTH-XUOJHOASSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2)CC[NH+]1C ZINC000093644589 287117959 /nfs/dbraw/zinc/11/79/59/287117959.db2.gz IQUABCUQOYRSTH-XUOJHOASSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2)CC[NH+]1C ZINC000093644589 287117961 /nfs/dbraw/zinc/11/79/61/287117961.db2.gz IQUABCUQOYRSTH-XUOJHOASSA-N 2 2 276.399 3.253 20 0 CGADLP Cn1cccc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121811341 287203715 /nfs/dbraw/zinc/20/37/15/287203715.db2.gz XSSQQRPFDCTKKX-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP Cn1cccc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121811341 287203717 /nfs/dbraw/zinc/20/37/17/287203717.db2.gz XSSQQRPFDCTKKX-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000122973515 287214580 /nfs/dbraw/zinc/21/45/80/287214580.db2.gz BLJDGQDNLQAUBI-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP CO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305745 196025844 /nfs/dbraw/zinc/02/58/44/196025844.db2.gz GXWFQXGVMWAXKT-BPQIPLTHSA-N 2 2 299.418 3.154 20 0 CGADLP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000284305745 196025846 /nfs/dbraw/zinc/02/58/46/196025846.db2.gz GXWFQXGVMWAXKT-BPQIPLTHSA-N 2 2 299.418 3.154 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccccc1F ZINC000020186711 171051080 /nfs/dbraw/zinc/05/10/80/171051080.db2.gz GISDFBYNYSQART-UHFFFAOYSA-N 2 2 283.350 3.274 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000020189122 171053963 /nfs/dbraw/zinc/05/39/63/171053963.db2.gz SSOFLDSKKIJQGO-ZDUSSCGKSA-N 2 2 264.388 3.349 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000020189126 171054282 /nfs/dbraw/zinc/05/42/82/171054282.db2.gz SSOFLDSKKIJQGO-CYBMUJFWSA-N 2 2 264.388 3.349 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000020189162 171054555 /nfs/dbraw/zinc/05/45/55/171054555.db2.gz WCZULBWSPYKCCA-CYBMUJFWSA-N 2 2 250.386 3.111 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506188 171228107 /nfs/dbraw/zinc/22/81/07/171228107.db2.gz IXZZKZANUCYDLI-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000020506108 171228184 /nfs/dbraw/zinc/22/81/84/171228184.db2.gz JZMNWQALWAEVLK-GFCCVEGCSA-N 2 2 295.333 3.225 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000020506234 171228510 /nfs/dbraw/zinc/22/85/10/171228510.db2.gz GZUOZWUYTAHUJA-GFCCVEGCSA-N 2 2 295.333 3.225 20 0 CGADLP CCC1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000035259022 172092255 /nfs/dbraw/zinc/09/22/55/172092255.db2.gz SEKVOPQKVCTKBW-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000035286430 172104428 /nfs/dbraw/zinc/10/44/28/172104428.db2.gz OYFAIGXWVXKDPU-SECBINFHSA-N 2 2 258.818 3.146 20 0 CGADLP C[N@H+](Cc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285355373 196258785 /nfs/dbraw/zinc/25/87/85/196258785.db2.gz BDPLULHHGGRWDH-XYPWUTKMSA-N 2 2 280.362 3.022 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285355373 196258787 /nfs/dbraw/zinc/25/87/87/196258787.db2.gz BDPLULHHGGRWDH-XYPWUTKMSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285355373 196258789 /nfs/dbraw/zinc/25/87/89/196258789.db2.gz BDPLULHHGGRWDH-XYPWUTKMSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285355373 196258790 /nfs/dbraw/zinc/25/87/90/196258790.db2.gz BDPLULHHGGRWDH-XYPWUTKMSA-N 2 2 280.362 3.022 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000037236749 173053844 /nfs/dbraw/zinc/05/38/44/173053844.db2.gz NQHRVEMALSTXFQ-CYBMUJFWSA-N 2 2 294.414 3.358 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+]1CCCCC1 ZINC000038028592 174017494 /nfs/dbraw/zinc/01/74/94/174017494.db2.gz BJZMMFXKNKKFQZ-JKSUJKDBSA-N 2 2 290.451 3.177 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000038087345 174098704 /nfs/dbraw/zinc/09/87/04/174098704.db2.gz HHIWWBBYAUXSTR-UAGQMJEPSA-N 2 2 260.425 3.253 20 0 CGADLP COc1cccc([C@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)c1 ZINC000043561399 175066344 /nfs/dbraw/zinc/06/63/44/175066344.db2.gz OLMFKSOIDZVZDE-INIZCTEOSA-N 2 2 285.391 3.113 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000128141578 287304511 /nfs/dbraw/zinc/30/45/11/287304511.db2.gz JUZWOPNBABFEMB-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000128141578 287304514 /nfs/dbraw/zinc/30/45/14/287304514.db2.gz JUZWOPNBABFEMB-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000071142097 176039959 /nfs/dbraw/zinc/03/99/59/176039959.db2.gz KRIZSDVERPUBKF-LLVKDONJSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000071142097 176039960 /nfs/dbraw/zinc/03/99/60/176039960.db2.gz KRIZSDVERPUBKF-LLVKDONJSA-N 2 2 273.207 3.035 20 0 CGADLP CCC[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314637 176121175 /nfs/dbraw/zinc/12/11/75/176121175.db2.gz WVZGQDUFOQCJIS-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP CCC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314637 176121177 /nfs/dbraw/zinc/12/11/77/176121177.db2.gz WVZGQDUFOQCJIS-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000071315022 176121702 /nfs/dbraw/zinc/12/17/02/176121702.db2.gz VBMLYMWCBPDQPG-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000071315022 176121703 /nfs/dbraw/zinc/12/17/03/176121703.db2.gz VBMLYMWCBPDQPG-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP c1cn(Cc2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)c[nH+]1 ZINC000128928440 287320697 /nfs/dbraw/zinc/32/06/97/287320697.db2.gz NJTNGRKTDBUZBI-MRXNPFEDSA-N 2 2 281.403 3.377 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129467161 287332533 /nfs/dbraw/zinc/33/25/33/287332533.db2.gz UBIHWZVMAKMIGW-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129467161 287332535 /nfs/dbraw/zinc/33/25/35/287332535.db2.gz UBIHWZVMAKMIGW-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000312569887 416533180 /nfs/dbraw/zinc/53/31/80/416533180.db2.gz IDOHYCBVOFZWKA-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000312569887 416533184 /nfs/dbraw/zinc/53/31/84/416533184.db2.gz IDOHYCBVOFZWKA-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679577299 543649224 /nfs/dbraw/zinc/64/92/24/543649224.db2.gz PMTGENLSJKGVAO-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCCCC1 ZINC000679332485 543621066 /nfs/dbraw/zinc/62/10/66/543621066.db2.gz WBJAPHUTRXRDDI-IAGOWNOFSA-N 2 2 284.488 3.028 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000680066187 543683138 /nfs/dbraw/zinc/68/31/38/543683138.db2.gz MLFMGMXMTOGOER-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000680066187 543683141 /nfs/dbraw/zinc/68/31/41/543683141.db2.gz MLFMGMXMTOGOER-SFHVURJKSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680133843 543687394 /nfs/dbraw/zinc/68/73/94/543687394.db2.gz RYZPCPWFUWBRNI-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)CCC3CC3)[nH+]c12 ZINC000681108559 543766711 /nfs/dbraw/zinc/76/67/11/543766711.db2.gz QHIVIPTYGFTFPF-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000130835683 287364531 /nfs/dbraw/zinc/36/45/31/287364531.db2.gz JKGMMPWPNJLHNY-CABCVRRESA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000130835683 287364533 /nfs/dbraw/zinc/36/45/33/287364533.db2.gz JKGMMPWPNJLHNY-CABCVRRESA-N 2 2 290.451 3.089 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000683019412 543890761 /nfs/dbraw/zinc/89/07/61/543890761.db2.gz BHGXGMBLOQBVBJ-DYVFJYSZSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000683019412 543890763 /nfs/dbraw/zinc/89/07/63/543890763.db2.gz BHGXGMBLOQBVBJ-DYVFJYSZSA-N 2 2 287.382 3.361 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684114198 543968558 /nfs/dbraw/zinc/96/85/58/543968558.db2.gz VBBFUTSCGJORHH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684114198 543968561 /nfs/dbraw/zinc/96/85/61/543968561.db2.gz VBBFUTSCGJORHH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP Clc1ccsc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000683825854 543944719 /nfs/dbraw/zinc/94/47/19/543944719.db2.gz OTLLVEOYYNFJHO-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@H](F)C2)c[nH+]1 ZINC000684392472 543992197 /nfs/dbraw/zinc/99/21/97/543992197.db2.gz KEYYVACRKPIMFK-SWLSCSKDSA-N 2 2 250.361 3.003 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@H](F)C2)c[nH+]1 ZINC000684392472 543992198 /nfs/dbraw/zinc/99/21/98/543992198.db2.gz KEYYVACRKPIMFK-SWLSCSKDSA-N 2 2 250.361 3.003 20 0 CGADLP Cc1cccn2c(C[NH+]3CCC4(CCC4)CC3)c[nH+]c12 ZINC000685444373 544072789 /nfs/dbraw/zinc/07/27/89/544072789.db2.gz XBWNYJKGTUFBKD-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458588 544073332 /nfs/dbraw/zinc/07/33/32/544073332.db2.gz YEXVYKSTDWFAKM-RTBURBONSA-N 2 2 284.447 3.277 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458588 544073333 /nfs/dbraw/zinc/07/33/33/544073333.db2.gz YEXVYKSTDWFAKM-RTBURBONSA-N 2 2 284.447 3.277 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470422 544077377 /nfs/dbraw/zinc/07/73/77/544077377.db2.gz OYKLSQHHIVJEJE-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470422 544077379 /nfs/dbraw/zinc/07/73/79/544077379.db2.gz OYKLSQHHIVJEJE-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470422 544077382 /nfs/dbraw/zinc/07/73/82/544077382.db2.gz OYKLSQHHIVJEJE-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470422 544077383 /nfs/dbraw/zinc/07/73/83/544077383.db2.gz OYKLSQHHIVJEJE-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470734 544077508 /nfs/dbraw/zinc/07/75/08/544077508.db2.gz NHKXJVNYBKZXBU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470734 544077510 /nfs/dbraw/zinc/07/75/10/544077510.db2.gz NHKXJVNYBKZXBU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470734 544077513 /nfs/dbraw/zinc/07/75/13/544077513.db2.gz NHKXJVNYBKZXBU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470734 544077515 /nfs/dbraw/zinc/07/75/15/544077515.db2.gz NHKXJVNYBKZXBU-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471122 544079069 /nfs/dbraw/zinc/07/90/69/544079069.db2.gz NITKUCKSWJFHLM-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2Cl)C1 ZINC000685471122 544079071 /nfs/dbraw/zinc/07/90/71/544079071.db2.gz NITKUCKSWJFHLM-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cscc2Cl)C1 ZINC000685471122 544079072 /nfs/dbraw/zinc/07/90/72/544079072.db2.gz NITKUCKSWJFHLM-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cscc2Cl)C1 ZINC000685471122 544079074 /nfs/dbraw/zinc/07/90/74/544079074.db2.gz NITKUCKSWJFHLM-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000685002793 544050848 /nfs/dbraw/zinc/05/08/48/544050848.db2.gz MZGDKTROWYMKAZ-QGZVFWFLSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000685002793 544050852 /nfs/dbraw/zinc/05/08/52/544050852.db2.gz MZGDKTROWYMKAZ-QGZVFWFLSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000685582541 544087686 /nfs/dbraw/zinc/08/76/86/544087686.db2.gz VWINXFBEGJKLNH-DLBZAZTESA-N 2 2 290.451 3.227 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000685582541 544087689 /nfs/dbraw/zinc/08/76/89/544087689.db2.gz VWINXFBEGJKLNH-DLBZAZTESA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631845 544091043 /nfs/dbraw/zinc/09/10/43/544091043.db2.gz NAGXQPWMXNTGOX-IAGOWNOFSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631845 544091045 /nfs/dbraw/zinc/09/10/45/544091045.db2.gz NAGXQPWMXNTGOX-IAGOWNOFSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662271 544093359 /nfs/dbraw/zinc/09/33/59/544093359.db2.gz DKJJZOPEIQJGTL-UVBSCNOISA-N 2 2 281.403 3.180 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662271 544093362 /nfs/dbraw/zinc/09/33/62/544093362.db2.gz DKJJZOPEIQJGTL-UVBSCNOISA-N 2 2 281.403 3.180 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329198 418952673 /nfs/dbraw/zinc/95/26/73/418952673.db2.gz MUOHGPBIDRRKJA-SMDDNHRTSA-N 2 2 298.352 3.234 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329198 418952675 /nfs/dbraw/zinc/95/26/75/418952675.db2.gz MUOHGPBIDRRKJA-SMDDNHRTSA-N 2 2 298.352 3.234 20 0 CGADLP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)co1 ZINC000659839092 419006044 /nfs/dbraw/zinc/00/60/44/419006044.db2.gz RQYYZYXTJAHBHE-UHFFFAOYSA-N 2 2 291.439 3.071 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000665229468 419085806 /nfs/dbraw/zinc/08/58/06/419085806.db2.gz ZBGJEDPNMMNULC-RNCFNFMXSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000655756546 419088136 /nfs/dbraw/zinc/08/81/36/419088136.db2.gz VBPUPPYRGLZFSE-HOTGVXAUSA-N 2 2 281.403 3.092 20 0 CGADLP CSc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000660167102 419092509 /nfs/dbraw/zinc/09/25/09/419092509.db2.gz MHVMJNHCBHSJLG-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP CSc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000660167102 419092511 /nfs/dbraw/zinc/09/25/11/419092511.db2.gz MHVMJNHCBHSJLG-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253308 419093502 /nfs/dbraw/zinc/09/35/02/419093502.db2.gz NIFIJPRYUASPMV-OUENDJJVSA-N 2 2 294.389 3.189 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCC[C@H]1C ZINC000655772405 419093640 /nfs/dbraw/zinc/09/36/40/419093640.db2.gz GRDRMWCSUVOGAA-FZCLSBEQSA-N 2 2 294.483 3.044 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)(C)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665261626 419095232 /nfs/dbraw/zinc/09/52/32/419095232.db2.gz IFHILZMKZRXFQF-HZPDHXFCSA-N 2 2 294.414 3.216 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)(C)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665261627 419095628 /nfs/dbraw/zinc/09/56/28/419095628.db2.gz IFHILZMKZRXFQF-JKSUJKDBSA-N 2 2 294.414 3.216 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@@H](C)SC3)cn21 ZINC000655792869 419098378 /nfs/dbraw/zinc/09/83/78/419098378.db2.gz RRYRMDZYGYIWQA-UKRRQHHQSA-N 2 2 289.448 3.059 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276593 419099618 /nfs/dbraw/zinc/09/96/18/419099618.db2.gz HAWVHOIAHDWMNH-KTAKPFMOSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1OC(F)F ZINC000665276443 419099742 /nfs/dbraw/zinc/09/97/42/419099742.db2.gz CMEDTEAEKHPRJE-ULKWEWGCSA-N 2 2 296.361 3.081 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000655857387 419124729 /nfs/dbraw/zinc/12/47/29/419124729.db2.gz UDNDTSIRUZICDO-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000655857387 419124735 /nfs/dbraw/zinc/12/47/35/419124735.db2.gz UDNDTSIRUZICDO-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000660226207 419104870 /nfs/dbraw/zinc/10/48/70/419104870.db2.gz VKUHIUCKEMBCSF-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000660226207 419104874 /nfs/dbraw/zinc/10/48/74/419104874.db2.gz VKUHIUCKEMBCSF-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000660226207 419104878 /nfs/dbraw/zinc/10/48/78/419104878.db2.gz VKUHIUCKEMBCSF-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000660226207 419104884 /nfs/dbraw/zinc/10/48/84/419104884.db2.gz VKUHIUCKEMBCSF-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892815 419104996 /nfs/dbraw/zinc/10/49/96/419104996.db2.gz NMETXNWZWKQAQZ-OAHLLOKOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892815 419105000 /nfs/dbraw/zinc/10/50/00/419105000.db2.gz NMETXNWZWKQAQZ-OAHLLOKOSA-N 2 2 261.413 3.007 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(Br)c1 ZINC000665293796 419107950 /nfs/dbraw/zinc/10/79/50/419107950.db2.gz CYAOZIDXIOSBDB-MFKMUULPSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000665295830 419108754 /nfs/dbraw/zinc/10/87/54/419108754.db2.gz JXYBRZBKJBXCMB-SMDDNHRTSA-N 2 2 282.815 3.060 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000665295338 419108796 /nfs/dbraw/zinc/10/87/96/419108796.db2.gz CFCWLWBPIHGDKL-GUYCJALGSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000655848777 419119089 /nfs/dbraw/zinc/11/90/89/419119089.db2.gz KFONUTXVNIODBG-JQFCIGGWSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000655848777 419119092 /nfs/dbraw/zinc/11/90/92/419119092.db2.gz KFONUTXVNIODBG-JQFCIGGWSA-N 2 2 274.408 3.060 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000655849178 419119763 /nfs/dbraw/zinc/11/97/63/419119763.db2.gz PUYXUPXAYYLMAC-USXIJHARSA-N 2 2 290.455 3.132 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000655849178 419119766 /nfs/dbraw/zinc/11/97/66/419119766.db2.gz PUYXUPXAYYLMAC-USXIJHARSA-N 2 2 290.455 3.132 20 0 CGADLP CC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655850884 419120249 /nfs/dbraw/zinc/12/02/49/419120249.db2.gz ZMSKFDLIEDAAQV-FJBKBRRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850884 419120251 /nfs/dbraw/zinc/12/02/51/419120251.db2.gz ZMSKFDLIEDAAQV-FJBKBRRZSA-N 2 2 250.430 3.172 20 0 CGADLP c1cnc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000655856473 419122727 /nfs/dbraw/zinc/12/27/27/419122727.db2.gz OHOQNUIWOYRDCU-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000655856473 419122729 /nfs/dbraw/zinc/12/27/29/419122729.db2.gz OHOQNUIWOYRDCU-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1sccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854976 419122748 /nfs/dbraw/zinc/12/27/48/419122748.db2.gz BQXCFYKALSFLOY-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854976 419122749 /nfs/dbraw/zinc/12/27/49/419122749.db2.gz BQXCFYKALSFLOY-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680000 419063711 /nfs/dbraw/zinc/06/37/11/419063711.db2.gz GXRULHQQIKSRPL-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000655684786 419065555 /nfs/dbraw/zinc/06/55/55/419065555.db2.gz XJZOLDIQKPWDEB-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655854973 419123805 /nfs/dbraw/zinc/12/38/05/419123805.db2.gz BQXCFYKALSFLOY-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655854973 419123807 /nfs/dbraw/zinc/12/38/07/419123807.db2.gz BQXCFYKALSFLOY-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068491 419071076 /nfs/dbraw/zinc/07/10/76/419071076.db2.gz JGDCMZCEKQFWHP-SJORKVTESA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068491 419071079 /nfs/dbraw/zinc/07/10/79/419071079.db2.gz JGDCMZCEKQFWHP-SJORKVTESA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719055 419075373 /nfs/dbraw/zinc/07/53/73/419075373.db2.gz OOSDZWKJRZYYIU-OIISXLGYSA-N 2 2 294.483 3.044 20 0 CGADLP CSc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000655945634 419129639 /nfs/dbraw/zinc/12/96/39/419129639.db2.gz WRPHQPTVTPYAFP-UHFFFAOYSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000655945634 419129642 /nfs/dbraw/zinc/12/96/42/419129642.db2.gz WRPHQPTVTPYAFP-UHFFFAOYSA-N 2 2 276.449 3.112 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCCc3[nH+]cc(C)cc3C)c2c1C ZINC000656210650 419151157 /nfs/dbraw/zinc/15/11/57/419151157.db2.gz CLXCRNLNIZKMGL-UHFFFAOYSA-N 2 2 295.390 3.241 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656225683 419154832 /nfs/dbraw/zinc/15/48/32/419154832.db2.gz IWCUVJATDYERFX-GOEBONIOSA-N 2 2 284.407 3.002 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656225683 419154833 /nfs/dbraw/zinc/15/48/33/419154833.db2.gz IWCUVJATDYERFX-GOEBONIOSA-N 2 2 284.407 3.002 20 0 CGADLP CCC(C)(C)[NH+]1CCN(CCCc2ccc(C)[nH+]c2)CC1 ZINC000656271985 419162595 /nfs/dbraw/zinc/16/25/95/419162595.db2.gz UWENKVLRKAAFPT-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](OC3CCC3)C2)c[nH+]1 ZINC000656271281 419162723 /nfs/dbraw/zinc/16/27/23/419162723.db2.gz GCZUTRCBZZPOAF-GOSISDBHSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](OC3CCC3)C2)c[nH+]1 ZINC000656271281 419162724 /nfs/dbraw/zinc/16/27/24/419162724.db2.gz GCZUTRCBZZPOAF-GOSISDBHSA-N 2 2 288.435 3.356 20 0 CGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371796 419167931 /nfs/dbraw/zinc/16/79/31/419167931.db2.gz VHPVFMNJBUWCFR-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371796 419167934 /nfs/dbraw/zinc/16/79/34/419167934.db2.gz VHPVFMNJBUWCFR-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccsc1Cl)C2 ZINC000660665161 419178748 /nfs/dbraw/zinc/17/87/48/419178748.db2.gz UYVMZSCNELFAJT-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccsc1Cl)C2 ZINC000660665161 419178749 /nfs/dbraw/zinc/17/87/49/419178749.db2.gz UYVMZSCNELFAJT-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1Cl)C2 ZINC000660665161 419178752 /nfs/dbraw/zinc/17/87/52/419178752.db2.gz UYVMZSCNELFAJT-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1Cl)C2 ZINC000660665161 419178755 /nfs/dbraw/zinc/17/87/55/419178755.db2.gz UYVMZSCNELFAJT-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)[C@@H]1C[C@H]1C ZINC000666093746 419189779 /nfs/dbraw/zinc/18/97/79/419189779.db2.gz VCPDFLXWPQBXCA-BMFZPTHFSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)n2c1 ZINC000655863766 419126781 /nfs/dbraw/zinc/12/67/81/419126781.db2.gz PMAAAPWLRWMWCW-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000657287891 419243263 /nfs/dbraw/zinc/24/32/63/419243263.db2.gz ZMOHWKWJISJDAE-LLVKDONJSA-N 2 2 275.783 3.334 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657294627 419244906 /nfs/dbraw/zinc/24/49/06/419244906.db2.gz BTFFWTRSYXBZEI-CYBMUJFWSA-N 2 2 285.391 3.079 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657336696 419253358 /nfs/dbraw/zinc/25/33/58/419253358.db2.gz YFPAEQYTNDQHRM-ZDUSSCGKSA-N 2 2 285.391 3.079 20 0 CGADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360276 419259568 /nfs/dbraw/zinc/25/95/68/419259568.db2.gz AQVDQLCLWCLBCJ-KBMXLJTQSA-N 2 2 275.440 3.380 20 0 CGADLP CC[C@](C)([NH2+]Cc1c[nH+]c2n1CCC2)c1nc(C)cs1 ZINC000657375204 419263618 /nfs/dbraw/zinc/26/36/18/419263618.db2.gz FGYLJKFHFOYDTO-HNNXBMFYSA-N 2 2 290.436 3.009 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000656676089 419197888 /nfs/dbraw/zinc/19/78/88/419197888.db2.gz MDXXHAKBPJBBSQ-GOEBONIOSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000656676089 419197890 /nfs/dbraw/zinc/19/78/90/419197890.db2.gz MDXXHAKBPJBBSQ-GOEBONIOSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1[nH+]c2ccc(F)cc2n1C ZINC000656771793 419214763 /nfs/dbraw/zinc/21/47/63/419214763.db2.gz FLBBFXSSMPMDNH-UHFFFAOYSA-N 2 2 287.342 3.102 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC1(F)F ZINC000666444364 419217831 /nfs/dbraw/zinc/21/78/31/419217831.db2.gz DYYQYFJYFYGMTF-ZYHUDNBSSA-N 2 2 295.308 3.145 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCCC1 ZINC000656788473 419219973 /nfs/dbraw/zinc/21/99/73/419219973.db2.gz QPQZEAWBQKEPLM-UHFFFAOYSA-N 2 2 287.432 3.171 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2Cl)CCCC1 ZINC000656788587 419221211 /nfs/dbraw/zinc/22/12/11/419221211.db2.gz UORIRLGGCGBPKL-UHFFFAOYSA-N 2 2 273.207 3.355 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514162 419268427 /nfs/dbraw/zinc/26/84/27/419268427.db2.gz QWGWURSLBSVEIQ-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514162 419268429 /nfs/dbraw/zinc/26/84/29/419268429.db2.gz QWGWURSLBSVEIQ-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514162 419268432 /nfs/dbraw/zinc/26/84/32/419268432.db2.gz QWGWURSLBSVEIQ-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514162 419268434 /nfs/dbraw/zinc/26/84/34/419268434.db2.gz QWGWURSLBSVEIQ-CVEARBPZSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC2(CCCC2)CC1 ZINC000661232038 419242522 /nfs/dbraw/zinc/24/25/22/419242522.db2.gz XTRZQTCLHFZGRY-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCCC2(CCCC2)CC1 ZINC000661232038 419242525 /nfs/dbraw/zinc/24/25/25/419242525.db2.gz XTRZQTCLHFZGRY-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661232038 419242526 /nfs/dbraw/zinc/24/25/26/419242526.db2.gz XTRZQTCLHFZGRY-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661232038 419242529 /nfs/dbraw/zinc/24/25/29/419242529.db2.gz XTRZQTCLHFZGRY-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657522306 419296767 /nfs/dbraw/zinc/29/67/67/419296767.db2.gz ASGXOFFPWZTGRF-GJZGRUSLSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000657522306 419296770 /nfs/dbraw/zinc/29/67/70/419296770.db2.gz ASGXOFFPWZTGRF-GJZGRUSLSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000657522282 419298098 /nfs/dbraw/zinc/29/80/98/419298098.db2.gz CMVUBLWWWDIQNG-INIZCTEOSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000657522282 419298100 /nfs/dbraw/zinc/29/81/00/419298100.db2.gz CMVUBLWWWDIQNG-INIZCTEOSA-N 2 2 298.434 3.039 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000657627064 419316023 /nfs/dbraw/zinc/31/60/23/419316023.db2.gz UOCBQPSOPYJBQL-RDJZCZTQSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC000657627064 419316026 /nfs/dbraw/zinc/31/60/26/419316026.db2.gz UOCBQPSOPYJBQL-RDJZCZTQSA-N 2 2 272.436 3.061 20 0 CGADLP CC(C)C1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657403227 419271302 /nfs/dbraw/zinc/27/13/02/419271302.db2.gz VEBLGLYOCNUKRY-UHFFFAOYSA-N 2 2 275.440 3.381 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000193122372 228060178 /nfs/dbraw/zinc/06/01/78/228060178.db2.gz GSPDNTIYZWLAKZ-ZFWWWQNUSA-N 2 2 271.408 3.291 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC3=CCCC3)cc2)c[nH+]1 ZINC000657747909 419335509 /nfs/dbraw/zinc/33/55/09/419335509.db2.gz AOEBZDHMRJRECO-UHFFFAOYSA-N 2 2 253.349 3.072 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC[C@H]2CC2CCC2)c[nH+]1 ZINC000662155996 419345208 /nfs/dbraw/zinc/34/52/08/419345208.db2.gz JRONWXHFDUNVKS-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCCC[C@H]2CC2CCC2)c[nH+]1 ZINC000662155996 419345213 /nfs/dbraw/zinc/34/52/13/419345213.db2.gz JRONWXHFDUNVKS-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP CCOc1ccc(NCc2cccc3[nH+]ccn32)[nH+]c1C ZINC000657796887 419359586 /nfs/dbraw/zinc/35/95/86/419359586.db2.gz YEROJCSZTDCGSG-UHFFFAOYSA-N 2 2 282.347 3.049 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662202549 419360254 /nfs/dbraw/zinc/36/02/54/419360254.db2.gz VBRVTGNFAREWKX-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662202549 419360256 /nfs/dbraw/zinc/36/02/56/419360256.db2.gz VBRVTGNFAREWKX-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCSCC2)c[nH+]1 ZINC000657848425 419388378 /nfs/dbraw/zinc/38/83/78/419388378.db2.gz QHSLJEDXNRULNE-HNNXBMFYSA-N 2 2 287.432 3.248 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657820676 419371120 /nfs/dbraw/zinc/37/11/20/419371120.db2.gz JGUWIMQNKOLYMA-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCSCC3)C2)cc1 ZINC000657820676 419371127 /nfs/dbraw/zinc/37/11/27/419371127.db2.gz JGUWIMQNKOLYMA-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662245125 419374284 /nfs/dbraw/zinc/37/42/84/419374284.db2.gz KUTUOXFKJUACIH-KGLIPLIRSA-N 2 2 296.867 3.258 20 0 CGADLP Clc1cccc(SCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662245125 419374288 /nfs/dbraw/zinc/37/42/88/419374288.db2.gz KUTUOXFKJUACIH-KGLIPLIRSA-N 2 2 296.867 3.258 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1=CCSC1 ZINC000662263484 419376747 /nfs/dbraw/zinc/37/67/47/419376747.db2.gz KZIFECHZIRVEFE-UHFFFAOYSA-N 2 2 299.443 3.286 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1=CCSC1 ZINC000662263484 419376749 /nfs/dbraw/zinc/37/67/49/419376749.db2.gz KZIFECHZIRVEFE-UHFFFAOYSA-N 2 2 299.443 3.286 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000657832607 419377896 /nfs/dbraw/zinc/37/78/96/419377896.db2.gz GKPDGABNLCVSRC-HOTGVXAUSA-N 2 2 297.446 3.371 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000657837834 419381515 /nfs/dbraw/zinc/38/15/15/419381515.db2.gz KHQNKFCZECMDHK-WHOFXGATSA-N 2 2 295.377 3.297 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000657837834 419381521 /nfs/dbraw/zinc/38/15/21/419381521.db2.gz KHQNKFCZECMDHK-WHOFXGATSA-N 2 2 295.377 3.297 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054577 419524901 /nfs/dbraw/zinc/52/49/01/419524901.db2.gz FJFNRTFNRSMCAG-CXAGYDPISA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054577 419524904 /nfs/dbraw/zinc/52/49/04/419524904.db2.gz FJFNRTFNRSMCAG-CXAGYDPISA-N 2 2 288.435 3.240 20 0 CGADLP c1[nH+]c2n(c1CNc1[nH+]c3ccccc3n1C1CC1)CCC2 ZINC000663257625 419532947 /nfs/dbraw/zinc/53/29/47/419532947.db2.gz YFFXEXYRZSSUDB-UHFFFAOYSA-N 2 2 293.374 3.126 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658063008 419537265 /nfs/dbraw/zinc/53/72/65/419537265.db2.gz UUKOVUYIASGEBS-YOEHRIQHSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658063008 419537274 /nfs/dbraw/zinc/53/72/74/419537274.db2.gz UUKOVUYIASGEBS-YOEHRIQHSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1F ZINC000658166652 419632075 /nfs/dbraw/zinc/63/20/75/419632075.db2.gz KIYMSKBZGDWZCY-MAZHCROVSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1F ZINC000658166652 419632083 /nfs/dbraw/zinc/63/20/83/419632083.db2.gz KIYMSKBZGDWZCY-MAZHCROVSA-N 2 2 264.388 3.063 20 0 CGADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](CC2CC2)CC1 ZINC000663399091 419591927 /nfs/dbraw/zinc/59/19/27/419591927.db2.gz ZBGLMIUIMQEUFZ-UHFFFAOYSA-N 2 2 296.418 3.103 20 0 CGADLP C[C@@H]1C[C@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@@H+]1C ZINC000663663213 419670003 /nfs/dbraw/zinc/67/00/03/419670003.db2.gz ZZCDVRKZLMCBHN-UKRRQHHQSA-N 2 2 297.406 3.115 20 0 CGADLP C[C@@H]1C[C@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@H+]1C ZINC000663663213 419670014 /nfs/dbraw/zinc/67/00/14/419670014.db2.gz ZZCDVRKZLMCBHN-UKRRQHHQSA-N 2 2 297.406 3.115 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287287 419739428 /nfs/dbraw/zinc/73/94/28/419739428.db2.gz YSBVRSZYEPGNGC-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287287 419739440 /nfs/dbraw/zinc/73/94/40/419739440.db2.gz YSBVRSZYEPGNGC-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000273195907 263013905 /nfs/dbraw/zinc/01/39/05/263013905.db2.gz HWUGDFHGDQLIPZ-KBPBESRZSA-N 2 2 279.403 3.136 20 0 CGADLP CCC(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035009534 270027653 /nfs/dbraw/zinc/02/76/53/270027653.db2.gz MDXJYQFXYFVMCG-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035009534 270027654 /nfs/dbraw/zinc/02/76/54/270027654.db2.gz MDXJYQFXYFVMCG-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687623 270037080 /nfs/dbraw/zinc/03/70/80/270037080.db2.gz HMCOESARDZBERU-RDJZCZTQSA-N 2 2 272.436 3.142 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687623 270037081 /nfs/dbraw/zinc/03/70/81/270037081.db2.gz HMCOESARDZBERU-RDJZCZTQSA-N 2 2 272.436 3.142 20 0 CGADLP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000183701439 270056100 /nfs/dbraw/zinc/05/61/00/270056100.db2.gz DVGSKNJQBWEHDG-HIFPTAJRSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000183701439 270056102 /nfs/dbraw/zinc/05/61/02/270056102.db2.gz DVGSKNJQBWEHDG-HIFPTAJRSA-N 2 2 292.389 3.427 20 0 CGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000184593366 270059273 /nfs/dbraw/zinc/05/92/73/270059273.db2.gz KALJONGESARRCY-QDNWOOLPSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000184593366 270059274 /nfs/dbraw/zinc/05/92/74/270059274.db2.gz KALJONGESARRCY-QDNWOOLPSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000184593366 270059275 /nfs/dbraw/zinc/05/92/75/270059275.db2.gz KALJONGESARRCY-QDNWOOLPSA-N 2 2 250.430 3.290 20 0 CGADLP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000184593366 270059276 /nfs/dbraw/zinc/05/92/76/270059276.db2.gz KALJONGESARRCY-QDNWOOLPSA-N 2 2 250.430 3.290 20 0 CGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000186875963 270067316 /nfs/dbraw/zinc/06/73/16/270067316.db2.gz MIZRDPUETHYZDE-KSSFIOAISA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000186875963 270067317 /nfs/dbraw/zinc/06/73/17/270067317.db2.gz MIZRDPUETHYZDE-KSSFIOAISA-N 2 2 272.436 3.285 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1)C1CC1 ZINC000223063248 270086350 /nfs/dbraw/zinc/08/63/50/270086350.db2.gz AKINJPNFFOKDRW-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1)C1CC1 ZINC000223063248 270086351 /nfs/dbraw/zinc/08/63/51/270086351.db2.gz AKINJPNFFOKDRW-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)[C@@H]1C[C@H]1C ZINC000322037009 270093254 /nfs/dbraw/zinc/09/32/54/270093254.db2.gz NFIIPUCCKKYVSV-YUELXQCFSA-N 2 2 271.408 3.369 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CC=CC2)n1-c1ccccc1 ZINC000527749981 270134080 /nfs/dbraw/zinc/13/40/80/270134080.db2.gz AROPIPAWEPVAGZ-UHFFFAOYSA-N 2 2 267.376 3.237 20 0 CGADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2cn1 ZINC000527805495 270137343 /nfs/dbraw/zinc/13/73/43/270137343.db2.gz ATOLMINBEZVKHO-LJQANCHMSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2cn1 ZINC000527805495 270137344 /nfs/dbraw/zinc/13/73/44/270137344.db2.gz ATOLMINBEZVKHO-LJQANCHMSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC12CC2 ZINC000527846351 270139490 /nfs/dbraw/zinc/13/94/90/270139490.db2.gz FFEADIQIWZZVGT-RHSMWYFYSA-N 2 2 281.403 3.210 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527896042 270142767 /nfs/dbraw/zinc/14/27/67/270142767.db2.gz BOKMLMCRWHTTII-HZPDHXFCSA-N 2 2 283.419 3.268 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527896042 270142768 /nfs/dbraw/zinc/14/27/68/270142768.db2.gz BOKMLMCRWHTTII-HZPDHXFCSA-N 2 2 283.419 3.268 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000527896038 270142822 /nfs/dbraw/zinc/14/28/22/270142822.db2.gz BOKMLMCRWHTTII-CVEARBPZSA-N 2 2 283.419 3.268 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000527896038 270142823 /nfs/dbraw/zinc/14/28/23/270142823.db2.gz BOKMLMCRWHTTII-CVEARBPZSA-N 2 2 283.419 3.268 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528001620 270150128 /nfs/dbraw/zinc/15/01/28/270150128.db2.gz MKSDTFVULUJBSK-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528001620 270150129 /nfs/dbraw/zinc/15/01/29/270150129.db2.gz MKSDTFVULUJBSK-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010171 270151358 /nfs/dbraw/zinc/15/13/58/270151358.db2.gz JCUSWTXNLSECOK-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010171 270151359 /nfs/dbraw/zinc/15/13/59/270151359.db2.gz JCUSWTXNLSECOK-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000528421867 270165140 /nfs/dbraw/zinc/16/51/40/270165140.db2.gz BOIIQCWUEJTPFM-ZFWWWQNUSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000528421867 270165141 /nfs/dbraw/zinc/16/51/41/270165141.db2.gz BOIIQCWUEJTPFM-ZFWWWQNUSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000528422951 270165223 /nfs/dbraw/zinc/16/52/23/270165223.db2.gz GTLROPQNNACPCY-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000528422951 270165224 /nfs/dbraw/zinc/16/52/24/270165224.db2.gz GTLROPQNNACPCY-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530225214 270196449 /nfs/dbraw/zinc/19/64/49/270196449.db2.gz XFQIVJJRGMDAIY-JKSUJKDBSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1nccc2ccccc21 ZINC000530215496 270195676 /nfs/dbraw/zinc/19/56/76/270195676.db2.gz GQSPFIKBAUHXSO-CZUORRHYSA-N 2 2 281.403 3.170 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699312 270208953 /nfs/dbraw/zinc/20/89/53/270208953.db2.gz DVZJZQDQMGRHLC-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699312 270208954 /nfs/dbraw/zinc/20/89/54/270208954.db2.gz DVZJZQDQMGRHLC-HZMBPMFUSA-N 2 2 287.234 3.076 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983882 270212297 /nfs/dbraw/zinc/21/22/97/270212297.db2.gz HUZMDCWLORVGBU-DLBZAZTESA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983882 270212298 /nfs/dbraw/zinc/21/22/98/270212298.db2.gz HUZMDCWLORVGBU-DLBZAZTESA-N 2 2 274.452 3.248 20 0 CGADLP CCC(CC)(C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000531984670 270212321 /nfs/dbraw/zinc/21/23/21/270212321.db2.gz NFSWTPOTLWYIKX-RDJZCZTQSA-N 2 2 274.452 3.284 20 0 CGADLP CCC(CC)(C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000531984670 270212322 /nfs/dbraw/zinc/21/23/22/270212322.db2.gz NFSWTPOTLWYIKX-RDJZCZTQSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000531992275 270212525 /nfs/dbraw/zinc/21/25/25/270212525.db2.gz OAJSWCISLXBZGR-XWIAVFTESA-N 2 2 284.447 3.481 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000531992275 270212526 /nfs/dbraw/zinc/21/25/26/270212526.db2.gz OAJSWCISLXBZGR-XWIAVFTESA-N 2 2 284.447 3.481 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CCOCC1 ZINC000532231602 270214489 /nfs/dbraw/zinc/21/44/89/270214489.db2.gz WACGHIIHJYCQAT-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000532230918 270214579 /nfs/dbraw/zinc/21/45/79/270214579.db2.gz IJJBYUCUMWZYPQ-BETUJISGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000532230918 270214580 /nfs/dbraw/zinc/21/45/80/270214580.db2.gz IJJBYUCUMWZYPQ-BETUJISGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532531202 270217128 /nfs/dbraw/zinc/21/71/28/270217128.db2.gz ZYFPZLOXHROTNM-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532531202 270217129 /nfs/dbraw/zinc/21/71/29/270217129.db2.gz ZYFPZLOXHROTNM-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128162 282016439 /nfs/dbraw/zinc/01/64/39/282016439.db2.gz DHQCJEPCVNIRBP-WDEREUQCSA-N 2 2 266.351 3.037 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336228394 273649955 /nfs/dbraw/zinc/64/99/55/273649955.db2.gz JSPHCSWVQRRZRF-CYBMUJFWSA-N 2 2 298.352 3.165 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)[C@@H](C)C[N@@H+]1C ZINC000443498187 274366507 /nfs/dbraw/zinc/36/65/07/274366507.db2.gz HMZXNBLJIJGGMB-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)[C@@H](C)C[N@H+]1C ZINC000443498187 274366508 /nfs/dbraw/zinc/36/65/08/274366508.db2.gz HMZXNBLJIJGGMB-NEPJUHHUSA-N 2 2 289.810 3.417 20 0 CGADLP Cc1cc(NCC2([NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000419011732 274718642 /nfs/dbraw/zinc/71/86/42/274718642.db2.gz TVSVOZOQPHINDE-UHFFFAOYSA-N 2 2 273.355 3.188 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3cc(F)ccc31)CCC2 ZINC000374576344 274824263 /nfs/dbraw/zinc/82/42/63/274824263.db2.gz PCIDKTKDQPFACP-PBHICJAKSA-N 2 2 299.393 3.485 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccccc3C1)CCC2 ZINC000366207806 274824555 /nfs/dbraw/zinc/82/45/55/274824555.db2.gz DCRGNBQHWKNHIW-ROUUACIJSA-N 2 2 295.430 3.216 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000089108689 274951806 /nfs/dbraw/zinc/95/18/06/274951806.db2.gz OVRYQXAMCHJZLZ-UKRRQHHQSA-N 2 2 255.365 3.164 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000353248784 275076082 /nfs/dbraw/zinc/07/60/82/275076082.db2.gz MIHYERDDYYEPSZ-BZUAXINKSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000353248784 275076083 /nfs/dbraw/zinc/07/60/83/275076083.db2.gz MIHYERDDYYEPSZ-BZUAXINKSA-N 2 2 281.403 3.193 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc2cccnc21 ZINC000414924912 275816066 /nfs/dbraw/zinc/81/60/66/275816066.db2.gz IBUIZSHQLOENCV-MRXNPFEDSA-N 2 2 283.419 3.103 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000423400080 275817147 /nfs/dbraw/zinc/81/71/47/275817147.db2.gz WQRBVRKNADTRAC-HOTGVXAUSA-N 2 2 258.409 3.042 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[NH+]1CCCCC1 ZINC000479537743 275909893 /nfs/dbraw/zinc/90/98/93/275909893.db2.gz OLBTWNHXNAZVHA-CVEARBPZSA-N 2 2 250.430 3.054 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2OC ZINC000353987306 276009271 /nfs/dbraw/zinc/00/92/71/276009271.db2.gz OSJYSXBQDWRLQK-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2OC ZINC000353987306 276009272 /nfs/dbraw/zinc/00/92/72/276009272.db2.gz OSJYSXBQDWRLQK-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422696628 276018960 /nfs/dbraw/zinc/01/89/60/276018960.db2.gz SFAKRIOWYHUOEK-MAUKXSAKSA-N 2 2 290.451 3.233 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135928 276073367 /nfs/dbraw/zinc/07/33/67/276073367.db2.gz OCXYJJKXXMOFFB-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135928 276073368 /nfs/dbraw/zinc/07/33/68/276073368.db2.gz OCXYJJKXXMOFFB-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135928 276073369 /nfs/dbraw/zinc/07/33/69/276073369.db2.gz OCXYJJKXXMOFFB-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181135928 276073370 /nfs/dbraw/zinc/07/33/70/276073370.db2.gz OCXYJJKXXMOFFB-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000338294630 276096449 /nfs/dbraw/zinc/09/64/49/276096449.db2.gz KGWMGPSCAJNBJR-CQSZACIVSA-N 2 2 296.405 3.486 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000338294630 276096450 /nfs/dbraw/zinc/09/64/50/276096450.db2.gz KGWMGPSCAJNBJR-CQSZACIVSA-N 2 2 296.405 3.486 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227866270 276174731 /nfs/dbraw/zinc/17/47/31/276174731.db2.gz ZUNDELNAFARTEO-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227866270 276174732 /nfs/dbraw/zinc/17/47/32/276174732.db2.gz ZUNDELNAFARTEO-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000342719318 276221601 /nfs/dbraw/zinc/22/16/01/276221601.db2.gz ASVLNYUCDBUFJW-KMZOKZLKSA-N 2 2 258.409 3.210 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000342719318 276221604 /nfs/dbraw/zinc/22/16/04/276221604.db2.gz ASVLNYUCDBUFJW-KMZOKZLKSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H](COC)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442879424 287888190 /nfs/dbraw/zinc/88/81/90/287888190.db2.gz VXNLYXUYQJTYQD-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000427893191 276442020 /nfs/dbraw/zinc/44/20/20/276442020.db2.gz HRIXGTVMRSWIOO-LSDHHAIUSA-N 2 2 261.413 3.146 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423389419 277734290 /nfs/dbraw/zinc/73/42/90/277734290.db2.gz NKIIMYDDGQNUQA-XIRDDKMYSA-N 2 2 290.451 3.130 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000337509262 278000845 /nfs/dbraw/zinc/00/08/45/278000845.db2.gz KEUJYSRBPZVSSG-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000337509262 278000847 /nfs/dbraw/zinc/00/08/47/278000847.db2.gz KEUJYSRBPZVSSG-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1(C[NH3+])CCC1 ZINC000395502827 288009586 /nfs/dbraw/zinc/00/95/86/288009586.db2.gz LNZALGYRPVATGD-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1(C[NH3+])CCC1 ZINC000395502827 288009588 /nfs/dbraw/zinc/00/95/88/288009588.db2.gz LNZALGYRPVATGD-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000446851126 278215565 /nfs/dbraw/zinc/21/55/65/278215565.db2.gz AUSHXNVIODMPRH-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000446851126 278215568 /nfs/dbraw/zinc/21/55/68/278215568.db2.gz AUSHXNVIODMPRH-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000277240436 278333450 /nfs/dbraw/zinc/33/34/50/278333450.db2.gz ZRRWBCKNSYQHAA-LLVKDONJSA-N 2 2 277.318 3.321 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423091055 278383574 /nfs/dbraw/zinc/38/35/74/278383574.db2.gz ZBQSSBXIOWXQPV-DQYPLSBCSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000427864934 278388408 /nfs/dbraw/zinc/38/84/08/278388408.db2.gz GLSOSMPYOTUJTC-PEQKASONSA-N 2 2 299.462 3.392 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423054329 288062805 /nfs/dbraw/zinc/06/28/05/288062805.db2.gz UKVXBLFUSXXKOL-LRDDRELGSA-N 2 2 272.392 3.361 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423055125 288063052 /nfs/dbraw/zinc/06/30/52/288063052.db2.gz CSVVBOWLKWFHCC-BXUZGUMPSA-N 2 2 286.341 3.244 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000186980717 278989889 /nfs/dbraw/zinc/98/98/89/278989889.db2.gz OETRKFSZFISLLQ-HIFRSBDPSA-N 2 2 272.502 3.084 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000353316387 279207312 /nfs/dbraw/zinc/20/73/12/279207312.db2.gz STIKRKZUCJBQSZ-GFCCVEGCSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000353316387 279207316 /nfs/dbraw/zinc/20/73/16/279207316.db2.gz STIKRKZUCJBQSZ-GFCCVEGCSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833135 279232258 /nfs/dbraw/zinc/23/22/58/279232258.db2.gz DKBRYKVSBOAUAM-GOSISDBHSA-N 2 2 290.451 3.008 20 0 CGADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833135 279232261 /nfs/dbraw/zinc/23/22/61/279232261.db2.gz DKBRYKVSBOAUAM-GOSISDBHSA-N 2 2 290.451 3.008 20 0 CGADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833135 279232262 /nfs/dbraw/zinc/23/22/62/279232262.db2.gz DKBRYKVSBOAUAM-GOSISDBHSA-N 2 2 290.451 3.008 20 0 CGADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341833135 279232264 /nfs/dbraw/zinc/23/22/64/279232264.db2.gz DKBRYKVSBOAUAM-GOSISDBHSA-N 2 2 290.451 3.008 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000268800154 279388518 /nfs/dbraw/zinc/38/85/18/279388518.db2.gz HECMYIMLTLCWPT-TZMCWYRMSA-N 2 2 273.380 3.168 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000442774431 280008387 /nfs/dbraw/zinc/00/83/87/280008387.db2.gz ZCYDINYOMUAKQK-WTIISPKJSA-N 2 2 272.383 3.025 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000442774431 280008389 /nfs/dbraw/zinc/00/83/89/280008389.db2.gz ZCYDINYOMUAKQK-WTIISPKJSA-N 2 2 272.383 3.025 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000527852709 288198003 /nfs/dbraw/zinc/19/80/03/288198003.db2.gz OOEXFXMERIEQSE-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000527852709 288198008 /nfs/dbraw/zinc/19/80/08/288198008.db2.gz OOEXFXMERIEQSE-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCC[NH3+] ZINC000414752470 280121051 /nfs/dbraw/zinc/12/10/51/280121051.db2.gz KTAIDLOAOCCHAH-VIFPVBQESA-N 2 2 273.207 3.261 20 0 CGADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCC[NH3+] ZINC000414752470 280121052 /nfs/dbraw/zinc/12/10/52/280121052.db2.gz KTAIDLOAOCCHAH-VIFPVBQESA-N 2 2 273.207 3.261 20 0 CGADLP C/C(Cl)=C\C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000528460023 288201863 /nfs/dbraw/zinc/20/18/63/288201863.db2.gz QHEWCJWXWUSMCQ-XEVNVYFWSA-N 2 2 279.815 3.151 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000480243952 280145773 /nfs/dbraw/zinc/14/57/73/280145773.db2.gz GCEUMIQKTGJSFF-QAPCUYQASA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000480243952 280145779 /nfs/dbraw/zinc/14/57/79/280145779.db2.gz GCEUMIQKTGJSFF-QAPCUYQASA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423476891 280166637 /nfs/dbraw/zinc/16/66/37/280166637.db2.gz SVLAGQWNLPKIJZ-BXKDBHETSA-N 2 2 270.829 3.204 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1C ZINC000344326777 280386360 /nfs/dbraw/zinc/38/63/60/280386360.db2.gz OAZUSIGVUFIXKY-WBVHZDCISA-N 2 2 260.425 3.184 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1C ZINC000344326777 280386362 /nfs/dbraw/zinc/38/63/62/280386362.db2.gz OAZUSIGVUFIXKY-WBVHZDCISA-N 2 2 260.425 3.184 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)[nH]1 ZINC000529526011 288258376 /nfs/dbraw/zinc/25/83/76/288258376.db2.gz OZEHIRHRFNQNLS-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000494879580 280987938 /nfs/dbraw/zinc/98/79/38/280987938.db2.gz PYICAPORUYKTBC-WTTBNOFXSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[NH+](C4CC4)CC3)[nH+]c2c1 ZINC000460937109 281041618 /nfs/dbraw/zinc/04/16/18/281041618.db2.gz NGYPJEIEMYDKBY-UHFFFAOYSA-N 2 2 281.403 3.136 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530180019 288296837 /nfs/dbraw/zinc/29/68/37/288296837.db2.gz ZXHBAMZEWCGRNI-CYBMUJFWSA-N 2 2 278.465 3.420 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3COCc4ccccc43)n2c1 ZINC000418104709 281168716 /nfs/dbraw/zinc/16/87/16/281168716.db2.gz KLWFGJJHZFDXMS-KRWDZBQOSA-N 2 2 293.370 3.004 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531728876 288344304 /nfs/dbraw/zinc/34/43/04/288344304.db2.gz RIZVXSHADKMWEA-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531728876 288344306 /nfs/dbraw/zinc/34/43/06/288344306.db2.gz RIZVXSHADKMWEA-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000532194755 288354396 /nfs/dbraw/zinc/35/43/96/288354396.db2.gz QIPURBXDLDVKHX-WMLDXEAASA-N 2 2 269.392 3.186 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473192 288363571 /nfs/dbraw/zinc/36/35/71/288363571.db2.gz XBWWANHOSUSDOQ-RHSMWYFYSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473192 288363573 /nfs/dbraw/zinc/36/35/73/288363573.db2.gz XBWWANHOSUSDOQ-RHSMWYFYSA-N 2 2 288.435 3.048 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000097928413 282045875 /nfs/dbraw/zinc/04/58/75/282045875.db2.gz OGAYQVPLNCIHHN-NEPJUHHUSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549523426 289045479 /nfs/dbraw/zinc/04/54/79/289045479.db2.gz SEORFKIEJKRXTB-NJAFHUGGSA-N 2 2 283.419 3.445 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000550713005 289082696 /nfs/dbraw/zinc/08/26/96/289082696.db2.gz RJPNZOMFXXGCJJ-ROUUACIJSA-N 2 2 296.499 3.170 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000550713005 289082700 /nfs/dbraw/zinc/08/27/00/289082700.db2.gz RJPNZOMFXXGCJJ-ROUUACIJSA-N 2 2 296.499 3.170 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000551542898 289121217 /nfs/dbraw/zinc/12/12/17/289121217.db2.gz NUBXXHUSWKEPCO-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000551542898 289121218 /nfs/dbraw/zinc/12/12/18/289121218.db2.gz NUBXXHUSWKEPCO-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000552066074 289158194 /nfs/dbraw/zinc/15/81/94/289158194.db2.gz YMWUGZJBYUCCNU-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281884 289266436 /nfs/dbraw/zinc/26/64/36/289266436.db2.gz RDBIPHDJVHEREU-LTIDMASMSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000554281884 289266439 /nfs/dbraw/zinc/26/64/39/289266439.db2.gz RDBIPHDJVHEREU-LTIDMASMSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC000554316684 289268312 /nfs/dbraw/zinc/26/83/12/289268312.db2.gz UXUFCQCFKYLTFU-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC000554316684 289268315 /nfs/dbraw/zinc/26/83/15/289268315.db2.gz UXUFCQCFKYLTFU-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000555168525 289331565 /nfs/dbraw/zinc/33/15/65/289331565.db2.gz VGWRYEGQUUQXCB-MRXNPFEDSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556429340 289391764 /nfs/dbraw/zinc/39/17/64/289391764.db2.gz AFROUMLOESGBJA-HNNXBMFYSA-N 2 2 283.419 3.249 20 0 CGADLP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000557447031 289440704 /nfs/dbraw/zinc/44/07/04/289440704.db2.gz XBMVTBJECAYKMB-MSOLQXFVSA-N 2 2 290.451 3.261 20 0 CGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000562956397 289746088 /nfs/dbraw/zinc/74/60/88/289746088.db2.gz ZKSZGTZMFJHYAY-NSHDSACASA-N 2 2 285.229 3.099 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1F ZINC000090963226 290019632 /nfs/dbraw/zinc/01/96/32/290019632.db2.gz ACWUVDAASXPJPP-YNEHKIRRSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1F ZINC000090963226 290019634 /nfs/dbraw/zinc/01/96/34/290019634.db2.gz ACWUVDAASXPJPP-YNEHKIRRSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C2CC2)cc1 ZINC000417351274 290026449 /nfs/dbraw/zinc/02/64/49/290026449.db2.gz BXOUBSUTDLGLMK-GDZNZVCISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C2CC2)cc1 ZINC000417351274 290026454 /nfs/dbraw/zinc/02/64/54/290026454.db2.gz BXOUBSUTDLGLMK-GDZNZVCISA-N 2 2 258.409 3.165 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000516199891 295240820 /nfs/dbraw/zinc/24/08/20/295240820.db2.gz YEKIDBYDTDUMNH-JLSDUUJJSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H](CCCC[NH3+])[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423109811 298390566 /nfs/dbraw/zinc/39/05/66/298390566.db2.gz UZRSGINRWGXKMM-QGZVFWFLSA-N 3 2 295.515 3.140 20 0 CGADLP CC(C)(C[NH2+]C(C1CC1)C1CC1)[NH+]1CCCCC1 ZINC000152662357 321703891 /nfs/dbraw/zinc/70/38/91/321703891.db2.gz AJAHJCXLLZHUIU-UHFFFAOYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000163034490 321890065 /nfs/dbraw/zinc/89/00/65/321890065.db2.gz UZTXCDGHUJASQY-AWEZNQCLSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000563486186 322000413 /nfs/dbraw/zinc/00/04/13/322000413.db2.gz WNVFEULTQDMYIY-RDBSUJKOSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000563486186 322000416 /nfs/dbraw/zinc/00/04/16/322000416.db2.gz WNVFEULTQDMYIY-RDBSUJKOSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2oc3ccc(F)cc3c2C)n1C ZINC000565237538 322068550 /nfs/dbraw/zinc/06/85/50/322068550.db2.gz JSNJGLGXCADIRU-UHFFFAOYSA-N 2 2 287.338 3.212 20 0 CGADLP CC[NH+](CC)Cc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000565843732 322094045 /nfs/dbraw/zinc/09/40/45/322094045.db2.gz RNRNTQYNIIFWGP-UHFFFAOYSA-N 2 2 286.423 3.480 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)n1C ZINC000566020847 322100962 /nfs/dbraw/zinc/10/09/62/322100962.db2.gz GCVMHDDQUZNNIJ-CYBMUJFWSA-N 2 2 287.407 3.367 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566230263 322110704 /nfs/dbraw/zinc/11/07/04/322110704.db2.gz WTKAKHSUIXZJAU-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566230263 322110705 /nfs/dbraw/zinc/11/07/05/322110705.db2.gz WTKAKHSUIXZJAU-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1[nH]c(CNc2cccc(CC[N@@H+](C)C3CC3)c2)[nH+]c1C ZINC000566496263 322126625 /nfs/dbraw/zinc/12/66/25/322126625.db2.gz DXXPRQMQVYHDJZ-UHFFFAOYSA-N 2 2 298.434 3.275 20 0 CGADLP Cc1[nH]c(CNc2cccc(CC[N@H+](C)C3CC3)c2)[nH+]c1C ZINC000566496263 322126627 /nfs/dbraw/zinc/12/66/27/322126627.db2.gz DXXPRQMQVYHDJZ-UHFFFAOYSA-N 2 2 298.434 3.275 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]ccc3c(C)cccc32)CC1 ZINC000567751983 322176353 /nfs/dbraw/zinc/17/63/53/322176353.db2.gz UXWSQHBZZGEMAI-UHFFFAOYSA-N 2 2 269.392 3.439 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000568277550 322203332 /nfs/dbraw/zinc/20/33/32/322203332.db2.gz YZEQKHBQTIMKAM-AOCRQIFASA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000569009193 322231388 /nfs/dbraw/zinc/23/13/88/322231388.db2.gz YQPBFCOWYKSJQN-HNNXBMFYSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000569009193 322231391 /nfs/dbraw/zinc/23/13/91/322231391.db2.gz YQPBFCOWYKSJQN-HNNXBMFYSA-N 2 2 299.418 3.353 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000569088477 322234133 /nfs/dbraw/zinc/23/41/33/322234133.db2.gz NWRHCXHPLSIGHH-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000569088477 322234135 /nfs/dbraw/zinc/23/41/35/322234135.db2.gz NWRHCXHPLSIGHH-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](Oc3ccccc3)C2)c[nH+]1 ZINC000569724771 322255358 /nfs/dbraw/zinc/25/53/58/322255358.db2.gz ITZMPJXONWQXJA-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](Oc3ccccc3)C2)c[nH+]1 ZINC000569724771 322255361 /nfs/dbraw/zinc/25/53/61/322255361.db2.gz ITZMPJXONWQXJA-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000572941385 322362508 /nfs/dbraw/zinc/36/25/08/322362508.db2.gz BBVCEEJVSLYSNE-MRXNPFEDSA-N 2 2 290.357 3.317 20 0 CGADLP CC(C)C[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000582766085 329155277 /nfs/dbraw/zinc/15/52/77/329155277.db2.gz JAEHBCZOQDLBAE-AWEZNQCLSA-N 2 2 261.413 3.393 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397735370 329389757 /nfs/dbraw/zinc/38/97/57/329389757.db2.gz GPWXYDHSEXOUJC-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000436404007 533713622 /nfs/dbraw/zinc/71/36/22/533713622.db2.gz BZEBOOPSWAKWFF-NWDGAFQWSA-N 2 2 261.394 3.212 20 0 CGADLP CC[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000576410505 335200628 /nfs/dbraw/zinc/20/06/28/335200628.db2.gz LEQUBJIJWRPKCA-CQSZACIVSA-N 2 2 257.381 3.012 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000577125207 335304920 /nfs/dbraw/zinc/30/49/20/335304920.db2.gz OALLSULWXGVNAA-CHWSQXEVSA-N 2 2 261.413 3.216 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000577125207 335304921 /nfs/dbraw/zinc/30/49/21/335304921.db2.gz OALLSULWXGVNAA-CHWSQXEVSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCc1ccco1 ZINC000577748257 335396732 /nfs/dbraw/zinc/39/67/32/335396732.db2.gz RGSIFPIBRNYYEC-JKSUJKDBSA-N 2 2 278.440 3.311 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1[nH+]c2ccccc2n1C ZINC000179301265 335486249 /nfs/dbraw/zinc/48/62/49/335486249.db2.gz SVMQTJBSZSCOHH-UHFFFAOYSA-N 2 2 283.379 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H](c1ccccc1)[NH+](C)C ZINC000579378967 335743472 /nfs/dbraw/zinc/74/34/72/335743472.db2.gz JHIFEIJMHBIEFI-JFMONLCZSA-N 2 2 272.436 3.456 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000181568962 335771036 /nfs/dbraw/zinc/77/10/36/335771036.db2.gz XNKNNBRRKOHTGQ-SJORKVTESA-N 2 2 299.418 3.166 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1sccc1Br ZINC000579822363 335893640 /nfs/dbraw/zinc/89/36/40/335893640.db2.gz BLHDMBKGYZVEDG-PSASIEDQSA-N 2 2 291.258 3.145 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CCC2)C[N@@H+]1C1CC1 ZINC000385187976 336141534 /nfs/dbraw/zinc/14/15/34/336141534.db2.gz OCUIIFRMDVPOLP-TZMCWYRMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CCC2)C[N@H+]1C1CC1 ZINC000385187976 336141535 /nfs/dbraw/zinc/14/15/35/336141535.db2.gz OCUIIFRMDVPOLP-TZMCWYRMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000386120172 336166597 /nfs/dbraw/zinc/16/65/97/336166597.db2.gz MYVNCCRZFRJGJV-YGRLFVJLSA-N 2 2 270.779 3.099 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386156875 336167015 /nfs/dbraw/zinc/16/70/15/336167015.db2.gz TZFCIUGIOQYALF-RISCZKNCSA-N 2 2 286.341 3.326 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423278590 500622894 /nfs/dbraw/zinc/62/28/94/500622894.db2.gz QXZDWGZXFDLMHZ-UONOGXRCSA-N 2 2 282.815 3.127 20 0 CGADLP COc1cccc2c(N[C@H]3CCC[N@H+](C)[C@H]3C)cc[nH+]c12 ZINC000436444008 533847750 /nfs/dbraw/zinc/84/77/50/533847750.db2.gz YDSAIMJTKKHHNM-JSGCOSHPSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@H]3CCC[N@@H+](C)[C@H]3C)cc[nH+]c12 ZINC000436444008 533847754 /nfs/dbraw/zinc/84/77/54/533847754.db2.gz YDSAIMJTKKHHNM-JSGCOSHPSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@H]3CCC[N@H+](C)[C@@H]3C)cc[nH+]c12 ZINC000436444009 533847801 /nfs/dbraw/zinc/84/78/01/533847801.db2.gz YDSAIMJTKKHHNM-OCCSQVGLSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@H]3CCC[N@@H+](C)[C@@H]3C)cc[nH+]c12 ZINC000436444009 533847803 /nfs/dbraw/zinc/84/78/03/533847803.db2.gz YDSAIMJTKKHHNM-OCCSQVGLSA-N 2 2 285.391 3.138 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000365835551 533930361 /nfs/dbraw/zinc/93/03/61/533930361.db2.gz UKXVQASKZFWFRC-ZDUSSCGKSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000365835551 533930367 /nfs/dbraw/zinc/93/03/67/533930367.db2.gz UKXVQASKZFWFRC-ZDUSSCGKSA-N 2 2 275.421 3.170 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130192409 533968479 /nfs/dbraw/zinc/96/84/79/533968479.db2.gz PBKZGNOYKTYTLZ-AEGPPILISA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130192409 533968489 /nfs/dbraw/zinc/96/84/89/533968489.db2.gz PBKZGNOYKTYTLZ-AEGPPILISA-N 2 2 292.398 3.112 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Br)cc1 ZINC000423354561 533990909 /nfs/dbraw/zinc/99/09/09/533990909.db2.gz CYEZJQXFCJUETB-COPLHBTASA-N 2 2 297.240 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000358408106 533992499 /nfs/dbraw/zinc/99/24/99/533992499.db2.gz UZFWLVWDJFSQJG-COPLHBTASA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000358408106 533992510 /nfs/dbraw/zinc/99/25/10/533992510.db2.gz UZFWLVWDJFSQJG-COPLHBTASA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCC2 ZINC000368103667 533993183 /nfs/dbraw/zinc/99/31/83/533993183.db2.gz XUEXPHFQBVVKSL-BLLLJJGKSA-N 2 2 281.403 3.107 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000368103667 533993194 /nfs/dbraw/zinc/99/31/94/533993194.db2.gz XUEXPHFQBVVKSL-BLLLJJGKSA-N 2 2 281.403 3.107 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000425360749 534001039 /nfs/dbraw/zinc/00/10/39/534001039.db2.gz SUBJMIXKWGATOB-OWCLPIDISA-N 2 2 278.465 3.081 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1Br ZINC000423396490 534007453 /nfs/dbraw/zinc/00/74/53/534007453.db2.gz UFRJYRYXIGRYNH-WOPDTQHZSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC000437782811 534124131 /nfs/dbraw/zinc/12/41/31/534124131.db2.gz HDVYFIJRBSPOHT-DJIMGWMZSA-N 2 2 260.425 3.037 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000438846620 534203946 /nfs/dbraw/zinc/20/39/46/534203946.db2.gz BXAQQTWURIGKKX-RYUDHWBXSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000438846620 534203951 /nfs/dbraw/zinc/20/39/51/534203951.db2.gz BXAQQTWURIGKKX-RYUDHWBXSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000438846620 534203955 /nfs/dbraw/zinc/20/39/55/534203955.db2.gz BXAQQTWURIGKKX-RYUDHWBXSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000438846620 534203959 /nfs/dbraw/zinc/20/39/59/534203959.db2.gz BXAQQTWURIGKKX-RYUDHWBXSA-N 2 2 284.494 3.385 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000449252695 534259315 /nfs/dbraw/zinc/25/93/15/534259315.db2.gz RJSLCKZNRNXIND-YOEHRIQHSA-N 2 2 272.392 3.103 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc2c1 ZINC000423237891 534472223 /nfs/dbraw/zinc/47/22/23/534472223.db2.gz QIRQXXCRMKOUFC-TZMCWYRMSA-N 2 2 258.365 3.144 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@H+](C)[C@@H]3C)ccc2n1 ZINC000437773360 534470687 /nfs/dbraw/zinc/47/06/87/534470687.db2.gz JGXVJZQEHSAXTO-PBHICJAKSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+](C)[C@@H]3C)ccc2n1 ZINC000437773360 534470694 /nfs/dbraw/zinc/47/06/94/534470694.db2.gz JGXVJZQEHSAXTO-PBHICJAKSA-N 2 2 283.419 3.116 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000061626921 524788150 /nfs/dbraw/zinc/78/81/50/524788150.db2.gz BBDRKHNGCVBFGV-JQWIXIFHSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000061626921 524788161 /nfs/dbraw/zinc/78/81/61/524788161.db2.gz BBDRKHNGCVBFGV-JQWIXIFHSA-N 2 2 272.314 3.017 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000358483375 534819816 /nfs/dbraw/zinc/81/98/16/534819816.db2.gz KXXBLVAYWCHPLQ-KGLIPLIRSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000358483375 534819818 /nfs/dbraw/zinc/81/98/18/534819818.db2.gz KXXBLVAYWCHPLQ-KGLIPLIRSA-N 2 2 293.480 3.194 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1nccs1 ZINC000086507804 525435241 /nfs/dbraw/zinc/43/52/41/525435241.db2.gz WRGCZQNXFOZLLO-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1nccs1 ZINC000086507804 525435246 /nfs/dbraw/zinc/43/52/46/525435246.db2.gz WRGCZQNXFOZLLO-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000151532624 525540530 /nfs/dbraw/zinc/54/05/30/525540530.db2.gz ZEMXLEXBHLIWGL-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1(C)C ZINC000463021674 534903792 /nfs/dbraw/zinc/90/37/92/534903792.db2.gz HMWOCEIFURUJRM-DJIMGWMZSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1(C)C ZINC000463021674 534903798 /nfs/dbraw/zinc/90/37/98/534903798.db2.gz HMWOCEIFURUJRM-DJIMGWMZSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)c1nc(NC[C@@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000106462346 534911662 /nfs/dbraw/zinc/91/16/62/534911662.db2.gz WOJOWPVHABZLSY-LBPRGKRZSA-N 2 2 290.436 3.376 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365610092 526774687 /nfs/dbraw/zinc/77/46/87/526774687.db2.gz CEPWZLPNANTGJF-INIZCTEOSA-N 2 2 297.446 3.397 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365610092 526774693 /nfs/dbraw/zinc/77/46/93/526774693.db2.gz CEPWZLPNANTGJF-INIZCTEOSA-N 2 2 297.446 3.397 20 0 CGADLP CC(C)([NH3+])C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423288775 527254841 /nfs/dbraw/zinc/25/48/41/527254841.db2.gz UYFAYNFUQKMVGP-UHFFFAOYSA-N 2 2 290.357 3.381 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000449256667 527828557 /nfs/dbraw/zinc/82/85/57/527828557.db2.gz FFBNGBNNBNGQHT-OAGGEKHMSA-N 2 2 275.440 3.392 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000449071372 527828735 /nfs/dbraw/zinc/82/87/35/527828735.db2.gz BHYJLNKUTIKGPN-BZUAXINKSA-N 2 2 263.429 3.466 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000367602927 527846101 /nfs/dbraw/zinc/84/61/01/527846101.db2.gz WUCCAYZSLHOMQY-QGZVFWFLSA-N 2 2 298.434 3.029 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000367602927 527846107 /nfs/dbraw/zinc/84/61/07/527846107.db2.gz WUCCAYZSLHOMQY-QGZVFWFLSA-N 2 2 298.434 3.029 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000423332697 528205261 /nfs/dbraw/zinc/20/52/61/528205261.db2.gz RBEYALFLRORMLN-GHMZBOCLSA-N 2 2 270.804 3.125 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423252565 528225782 /nfs/dbraw/zinc/22/57/82/528225782.db2.gz XQMHGHPPLAMBEI-HOTGVXAUSA-N 2 2 269.392 3.212 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423235364 528331142 /nfs/dbraw/zinc/33/11/42/528331142.db2.gz AONZICFMJMBYMA-ZDUSSCGKSA-N 2 2 260.381 3.310 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423375862 528421840 /nfs/dbraw/zinc/42/18/40/528421840.db2.gz IYJSTJLXWGCOJY-RISCZKNCSA-N 2 2 286.366 3.327 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000423377111 528424017 /nfs/dbraw/zinc/42/40/17/528424017.db2.gz JSMDBHCYXJFRPS-DGCLKSJQSA-N 2 2 286.366 3.327 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423374091 528424084 /nfs/dbraw/zinc/42/40/84/528424084.db2.gz HRFYRGUOJVRXJN-GHMZBOCLSA-N 2 2 285.229 3.098 20 0 CGADLP CC(C)[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000367959006 528447112 /nfs/dbraw/zinc/44/71/12/528447112.db2.gz FNSZPKXVDHOBMB-QGZVFWFLSA-N 2 2 269.392 3.139 20 0 CGADLP CC(C)[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000367959006 528447118 /nfs/dbraw/zinc/44/71/18/528447118.db2.gz FNSZPKXVDHOBMB-QGZVFWFLSA-N 2 2 269.392 3.139 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276467 528475277 /nfs/dbraw/zinc/47/52/77/528475277.db2.gz MWXIONTZFKWRQZ-YGRLFVJLSA-N 2 2 282.815 3.127 20 0 CGADLP CCN(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000155866505 528517296 /nfs/dbraw/zinc/51/72/96/528517296.db2.gz NIBSRRVGJLZKPO-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cn1 ZINC000423233534 528588693 /nfs/dbraw/zinc/58/86/93/528588693.db2.gz DQCCVYSSIPDTEB-DOTOQJQBSA-N 2 2 287.382 3.207 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427856381 528598468 /nfs/dbraw/zinc/59/84/68/528598468.db2.gz VXKDRWSJZCFJOO-NVXWUHKLSA-N 2 2 269.392 3.185 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000428223644 528717202 /nfs/dbraw/zinc/71/72/02/528717202.db2.gz PUXKAAKVBAHZPJ-OAHLLOKOSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000428223644 528717206 /nfs/dbraw/zinc/71/72/06/528717206.db2.gz PUXKAAKVBAHZPJ-OAHLLOKOSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000428223644 528717209 /nfs/dbraw/zinc/71/72/09/528717209.db2.gz PUXKAAKVBAHZPJ-OAHLLOKOSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000428223644 528717212 /nfs/dbraw/zinc/71/72/12/528717212.db2.gz PUXKAAKVBAHZPJ-OAHLLOKOSA-N 2 2 293.455 3.242 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427889305 528726302 /nfs/dbraw/zinc/72/63/02/528726302.db2.gz GLFMOZYIEXQFBI-HOCLYGCPSA-N 2 2 299.418 3.338 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000423497384 528928220 /nfs/dbraw/zinc/92/82/20/528928220.db2.gz GVTVRYAMDYCXOI-CGTJXYLNSA-N 2 2 290.451 3.044 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423296958 528955695 /nfs/dbraw/zinc/95/56/95/528955695.db2.gz ICNLZOUJNFZORV-GXSJLCMTSA-N 2 2 274.330 3.272 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000423304304 528956940 /nfs/dbraw/zinc/95/69/40/528956940.db2.gz YIDUCRQGKHIKBL-VXGBXAGGSA-N 2 2 298.402 3.011 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423572110 529022053 /nfs/dbraw/zinc/02/20/53/529022053.db2.gz YGSLBOPMYSUPJN-DOTOQJQBSA-N 2 2 276.424 3.268 20 0 CGADLP CC(C)[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(F)ccc1F ZINC000414120232 529121197 /nfs/dbraw/zinc/12/11/97/529121197.db2.gz BHKPXYCUBUTCOO-INIZCTEOSA-N 2 2 293.361 3.228 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000423550389 529202739 /nfs/dbraw/zinc/20/27/39/529202739.db2.gz IICLXBVWFXRLOQ-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093692753 535584743 /nfs/dbraw/zinc/58/47/43/535584743.db2.gz JIJLIODKHMCJIG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093692753 535584746 /nfs/dbraw/zinc/58/47/46/535584746.db2.gz JIJLIODKHMCJIG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP Cl/C=C(\Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514009 573015655 /nfs/dbraw/zinc/01/56/55/573015655.db2.gz HMLLWQRHLMJZOT-MYUVLUJPSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749514009 573015661 /nfs/dbraw/zinc/01/56/61/573015661.db2.gz HMLLWQRHLMJZOT-MYUVLUJPSA-N 2 2 289.250 3.254 20 0 CGADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000258909662 572329637 /nfs/dbraw/zinc/32/96/37/572329637.db2.gz FDZXKDPMRPFSTK-CYBMUJFWSA-N 2 2 260.406 3.133 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000742371791 572569517 /nfs/dbraw/zinc/56/95/17/572569517.db2.gz DLEIZLNWTQVTDH-CBZIJGRNSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000742371791 572569522 /nfs/dbraw/zinc/56/95/22/572569522.db2.gz DLEIZLNWTQVTDH-CBZIJGRNSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000166297934 572811420 /nfs/dbraw/zinc/81/14/20/572811420.db2.gz ASESEECHPQEOJJ-JCKWVBRZSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CC2 ZINC000166297934 572811433 /nfs/dbraw/zinc/81/14/33/572811433.db2.gz ASESEECHPQEOJJ-JCKWVBRZSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000220356861 572877745 /nfs/dbraw/zinc/87/77/45/572877745.db2.gz MQXWZRKEJHUCMN-UHFFFAOYSA-N 2 2 272.367 3.095 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000220356861 572877749 /nfs/dbraw/zinc/87/77/49/572877749.db2.gz MQXWZRKEJHUCMN-UHFFFAOYSA-N 2 2 272.367 3.095 20 0 CGADLP Cl/C=C(\Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514009 573015642 /nfs/dbraw/zinc/01/56/42/573015642.db2.gz HMLLWQRHLMJZOT-MYUVLUJPSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514009 573015650 /nfs/dbraw/zinc/01/56/50/573015650.db2.gz HMLLWQRHLMJZOT-MYUVLUJPSA-N 2 2 289.250 3.254 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3(c4ccccc4)CC3)cn2)c[nH+]1 ZINC000750043714 573077159 /nfs/dbraw/zinc/07/71/59/573077159.db2.gz MPMJSDQZHHBEDH-UHFFFAOYSA-N 2 2 290.370 3.046 20 0 CGADLP CCC[C@H](C)CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000858346375 617617679 /nfs/dbraw/zinc/61/76/79/617617679.db2.gz LWLBNLAVZIOSNE-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3nccc4c3CCCC4)CC2)[nH]1 ZINC000891844148 618338362 /nfs/dbraw/zinc/33/83/62/618338362.db2.gz DTDDFUSQTJBZKV-UHFFFAOYSA-N 2 2 296.418 3.063 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892035023 618497627 /nfs/dbraw/zinc/49/76/27/618497627.db2.gz WVJCILCZMLNHBY-GFCCVEGCSA-N 2 2 286.341 3.147 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892035023 618497628 /nfs/dbraw/zinc/49/76/28/618497628.db2.gz WVJCILCZMLNHBY-GFCCVEGCSA-N 2 2 286.341 3.147 20 0 CGADLP CSCC1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926689754 618823395 /nfs/dbraw/zinc/82/33/95/618823395.db2.gz RGTYNLKSUKFPQG-CABCVRRESA-N 2 2 282.497 3.126 20 0 CGADLP CSCC1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926689754 618823397 /nfs/dbraw/zinc/82/33/97/618823397.db2.gz RGTYNLKSUKFPQG-CABCVRRESA-N 2 2 282.497 3.126 20 0 CGADLP CSCC1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926689756 618823444 /nfs/dbraw/zinc/82/34/44/618823444.db2.gz RGTYNLKSUKFPQG-HUUCEWRRSA-N 2 2 282.497 3.126 20 0 CGADLP CSCC1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926689756 618823445 /nfs/dbraw/zinc/82/34/45/618823445.db2.gz RGTYNLKSUKFPQG-HUUCEWRRSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000182634444 619038647 /nfs/dbraw/zinc/03/86/47/619038647.db2.gz AVUINQXBAAWBDA-AWEZNQCLSA-N 2 2 275.440 3.285 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccccc1 ZINC000925545207 619044772 /nfs/dbraw/zinc/04/47/72/619044772.db2.gz DWLSEILCMINVMG-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000925645390 619104326 /nfs/dbraw/zinc/10/43/26/619104326.db2.gz PUBIITNKFMLYJK-YUTCNCBUSA-N 2 2 286.341 3.063 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925645585 619104355 /nfs/dbraw/zinc/10/43/55/619104355.db2.gz QRMXDVIBYWCDRC-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1 ZINC000925736124 619210592 /nfs/dbraw/zinc/21/05/92/619210592.db2.gz ZIGFNZNSYZLOBI-AAEUAGOBSA-N 2 2 270.367 3.346 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H](COC)c2cccc(Cl)c2)CC1 ZINC000925757746 619221061 /nfs/dbraw/zinc/22/10/61/619221061.db2.gz JEQJJYYFHUSVML-OAHLLOKOSA-N 2 2 296.842 3.231 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2o1 ZINC000925780475 619242665 /nfs/dbraw/zinc/24/26/65/619242665.db2.gz SPUOIFZMOGRDAJ-WCQYABFASA-N 2 2 294.345 3.328 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1C ZINC000261758861 619402341 /nfs/dbraw/zinc/40/23/41/619402341.db2.gz CTHXMLHARXHJSX-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1C ZINC000261758861 619402342 /nfs/dbraw/zinc/40/23/42/619402342.db2.gz CTHXMLHARXHJSX-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000894176561 619406482 /nfs/dbraw/zinc/40/64/82/619406482.db2.gz UITQKUQYSGOXFQ-OAHLLOKOSA-N 2 2 298.434 3.074 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000894176561 619406487 /nfs/dbraw/zinc/40/64/87/619406487.db2.gz UITQKUQYSGOXFQ-OAHLLOKOSA-N 2 2 298.434 3.074 20 0 CGADLP CC[C@H]1CC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111775 619735206 /nfs/dbraw/zinc/73/52/06/619735206.db2.gz JGALTBVPDWYWOF-VGWMRTNUSA-N 2 2 273.424 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CC[C@H]2C2CC2)CC1 ZINC000895113219 619736173 /nfs/dbraw/zinc/73/61/73/619736173.db2.gz VJPCNVOPMJGAOB-LUKYLMHMSA-N 2 2 285.435 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cccc[nH+]2)CC1 ZINC000895113020 619736716 /nfs/dbraw/zinc/73/67/16/619736716.db2.gz ZMYPGYIOQVKNRR-WKILWMFISA-N 2 2 299.393 3.497 20 0 CGADLP CCC[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706365 619873045 /nfs/dbraw/zinc/87/30/45/619873045.db2.gz JGXQVIYFQUETQV-DLBZAZTESA-N 2 2 287.407 3.029 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]c1 ZINC000896196114 619964534 /nfs/dbraw/zinc/96/45/34/619964534.db2.gz XDANDVTXHYDUFS-HNNXBMFYSA-N 2 2 271.408 3.314 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035010277 620222738 /nfs/dbraw/zinc/22/27/38/620222738.db2.gz WDYDZTJSJHUYBI-RRFJBIMHSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2OC)[C@@H](C)C1 ZINC000897482412 620348871 /nfs/dbraw/zinc/34/88/71/620348871.db2.gz RSMJZVWOTWUWLH-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2OC)[C@@H](C)C1 ZINC000897482412 620348872 /nfs/dbraw/zinc/34/88/72/620348872.db2.gz RSMJZVWOTWUWLH-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP FC(F)Sc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000841033758 620412818 /nfs/dbraw/zinc/41/28/18/620412818.db2.gz ZGDVNJKDCOYIBQ-GFCCVEGCSA-N 2 2 286.391 3.233 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841059740 620548974 /nfs/dbraw/zinc/54/89/74/620548974.db2.gz WNGRHYAWGSMIJQ-GWCFXTLKSA-N 2 2 286.391 3.089 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](C)c1coc2ccccc21)C[NH+](C)C ZINC000926957425 620554791 /nfs/dbraw/zinc/55/47/91/620554791.db2.gz BMWYMEYYJCUYFH-UONOGXRCSA-N 2 2 290.407 3.050 20 0 CGADLP CCC[C@H](O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927021607 620562861 /nfs/dbraw/zinc/56/28/61/620562861.db2.gz NYTVGHSOZOEEHK-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cs1 ZINC000902430021 621315235 /nfs/dbraw/zinc/31/52/35/621315235.db2.gz CBDOQTYCPYLLFY-IUIKQTSFSA-N 2 2 272.417 3.332 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436665 621318020 /nfs/dbraw/zinc/31/80/20/621318020.db2.gz FMIRBYYEWLNDIM-IAOVAPTHSA-N 2 2 286.444 3.284 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435249 621318226 /nfs/dbraw/zinc/31/82/26/621318226.db2.gz ARMGXHSYJZRLKR-KCPJHIHWSA-N 2 2 278.465 3.121 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000902439632 621320417 /nfs/dbraw/zinc/32/04/17/621320417.db2.gz SMSGMAATKGPQHO-KZNAEPCWSA-N 2 2 282.362 3.027 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444845 621322956 /nfs/dbraw/zinc/32/29/56/621322956.db2.gz OUCRJYPUZNFXLV-MORSLUCNSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902473177 621324265 /nfs/dbraw/zinc/32/42/65/621324265.db2.gz TWPFLLDTJKKRNB-LQPBRMSDSA-N 2 2 256.393 3.108 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C2CC2)c1 ZINC000902464910 621337613 /nfs/dbraw/zinc/33/76/13/621337613.db2.gz FHWXXWQAIMPMJR-RGXXSHLXSA-N 2 2 256.393 3.108 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902468432 621340348 /nfs/dbraw/zinc/34/03/48/621340348.db2.gz TWPFLLDTJKKRNB-PWGAFSCYSA-N 2 2 256.393 3.108 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000902720061 621408620 /nfs/dbraw/zinc/40/86/20/621408620.db2.gz DCOOQFLEFGHFAR-KDOFPFPSSA-N 2 2 299.418 3.195 20 0 CGADLP CCc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000902803128 621443158 /nfs/dbraw/zinc/44/31/58/621443158.db2.gz FYAOEMYKIHTAJA-CYBMUJFWSA-N 2 2 295.390 3.009 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000902794017 621449559 /nfs/dbraw/zinc/44/95/59/621449559.db2.gz RBCDNEATRLWHEY-PVAVHDDUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000902794017 621449567 /nfs/dbraw/zinc/44/95/67/621449567.db2.gz RBCDNEATRLWHEY-PVAVHDDUSA-N 2 2 294.483 3.044 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902795773 621451066 /nfs/dbraw/zinc/45/10/66/621451066.db2.gz GRUPTZPQEZAZCB-MUJYYYPQSA-N 2 2 294.483 3.044 20 0 CGADLP COC1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000903001451 621526576 /nfs/dbraw/zinc/52/65/76/621526576.db2.gz VAZPXJUMLNYSDY-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903223202 621634242 /nfs/dbraw/zinc/63/42/42/621634242.db2.gz XHKORXAMCGFKBL-KGLIPLIRSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C(F)F ZINC000903377329 621721531 /nfs/dbraw/zinc/72/15/31/621721531.db2.gz KVTBDUMLKGVGRH-GXTWGEPZSA-N 2 2 299.409 3.344 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)c1 ZINC000903457255 621762390 /nfs/dbraw/zinc/76/23/90/621762390.db2.gz PBZHUUZTZHNAPS-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)c1 ZINC000903457255 621762393 /nfs/dbraw/zinc/76/23/93/621762393.db2.gz PBZHUUZTZHNAPS-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903725435 621796809 /nfs/dbraw/zinc/79/68/09/621796809.db2.gz ZOUDMCWFMNVMCP-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903725435 621796812 /nfs/dbraw/zinc/79/68/12/621796812.db2.gz ZOUDMCWFMNVMCP-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798809 621811400 /nfs/dbraw/zinc/81/14/00/621811400.db2.gz ARFGCUKHYMOMJP-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798809 621811403 /nfs/dbraw/zinc/81/14/03/621811403.db2.gz ARFGCUKHYMOMJP-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803203 621812045 /nfs/dbraw/zinc/81/20/45/621812045.db2.gz WVWZEMWLGNBIHM-GDBMZVCRSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803203 621812047 /nfs/dbraw/zinc/81/20/47/621812047.db2.gz WVWZEMWLGNBIHM-GDBMZVCRSA-N 2 2 280.362 3.328 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903878893 621825253 /nfs/dbraw/zinc/82/52/53/621825253.db2.gz MROQOJVLXJTJLK-UONOGXRCSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903878893 621825256 /nfs/dbraw/zinc/82/52/56/621825256.db2.gz MROQOJVLXJTJLK-UONOGXRCSA-N 2 2 268.351 3.114 20 0 CGADLP CCc1ccc(C[N@H+](C[C@H]([NH3+])CC(F)F)C2CC2)cc1 ZINC000903879701 621825346 /nfs/dbraw/zinc/82/53/46/621825346.db2.gz HPOJCWVXBWKKPU-CQSZACIVSA-N 2 2 282.378 3.196 20 0 CGADLP CCc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)C2CC2)cc1 ZINC000903879701 621825347 /nfs/dbraw/zinc/82/53/47/621825347.db2.gz HPOJCWVXBWKKPU-CQSZACIVSA-N 2 2 282.378 3.196 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000904340879 621909164 /nfs/dbraw/zinc/90/91/64/621909164.db2.gz MTULZNQDFDOCSU-CVEARBPZSA-N 2 2 282.472 3.031 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[NH+]1CCC(C)CC1 ZINC000924851656 622707803 /nfs/dbraw/zinc/70/78/03/622707803.db2.gz BHIGTWMQECIBBB-KZNAEPCWSA-N 2 2 296.499 3.028 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1C ZINC000062254741 623211094 /nfs/dbraw/zinc/21/10/94/623211094.db2.gz VSEAZTQMQMYVMR-ZDUSSCGKSA-N 2 2 271.408 3.234 20 0 CGADLP CCc1[nH+]ccn1Cc1c[nH+]c(N(C)C)c2ccccc12 ZINC000917362340 624265254 /nfs/dbraw/zinc/26/52/54/624265254.db2.gz HKQSQFRTOBQFIW-UHFFFAOYSA-N 2 2 280.375 3.108 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000252428935 624881584 /nfs/dbraw/zinc/88/15/84/624881584.db2.gz JBNHWYCJVSGWCN-QLFBSQMISA-N 2 2 263.429 3.466 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000922237284 625988483 /nfs/dbraw/zinc/98/84/83/625988483.db2.gz IJMRJHMITNQUSG-BFHYXJOUSA-N 2 2 270.486 3.123 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000922237284 625988485 /nfs/dbraw/zinc/98/84/85/625988485.db2.gz IJMRJHMITNQUSG-BFHYXJOUSA-N 2 2 270.486 3.123 20 0 CGADLP CCCC[C@@H](COC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765248572 627243493 /nfs/dbraw/zinc/24/34/93/627243493.db2.gz FRGYQIMLSHVOLS-GJZGRUSLSA-N 2 2 281.444 3.093 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000766270190 627309144 /nfs/dbraw/zinc/30/91/44/627309144.db2.gz PAZIJYNTDIWPHR-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000766270190 627309149 /nfs/dbraw/zinc/30/91/49/627309149.db2.gz PAZIJYNTDIWPHR-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H](C)C1 ZINC000771969466 627751081 /nfs/dbraw/zinc/75/10/81/627751081.db2.gz LTNXGCYTHAZLTK-GWCFXTLKSA-N 2 2 272.845 3.221 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cscc2Cl)[C@@H](C)C1 ZINC000771969466 627751083 /nfs/dbraw/zinc/75/10/83/627751083.db2.gz LTNXGCYTHAZLTK-GWCFXTLKSA-N 2 2 272.845 3.221 20 0 CGADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000773095260 627855831 /nfs/dbraw/zinc/85/58/31/627855831.db2.gz LZWJWPPHVHLBQT-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C(C)C)cc1 ZINC000774444538 627991331 /nfs/dbraw/zinc/99/13/31/627991331.db2.gz SBJHQXBQOHNBBH-MAUKXSAKSA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C(C)C)cc1 ZINC000774444538 627991336 /nfs/dbraw/zinc/99/13/36/627991336.db2.gz SBJHQXBQOHNBBH-MAUKXSAKSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000775537254 628104610 /nfs/dbraw/zinc/10/46/10/628104610.db2.gz HLJVZSYAJZXYJX-INIZCTEOSA-N 2 2 295.430 3.495 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776163187 628173191 /nfs/dbraw/zinc/17/31/91/628173191.db2.gz QAAINUZQNZWJKV-SUMWQHHRSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776163187 628173195 /nfs/dbraw/zinc/17/31/95/628173195.db2.gz QAAINUZQNZWJKV-SUMWQHHRSA-N 2 2 276.399 3.277 20 0 CGADLP CC(C)CCC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783582222 628728771 /nfs/dbraw/zinc/72/87/71/628728771.db2.gz KXLDQANVRBWYQG-UHFFFAOYSA-N 2 2 275.440 3.287 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000863543179 629602033 /nfs/dbraw/zinc/60/20/33/629602033.db2.gz LOUMEAJRDYAVMD-CWRNSKLLSA-N 2 2 276.424 3.103 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1F ZINC000863543484 629602991 /nfs/dbraw/zinc/60/29/91/629602991.db2.gz ZTKMECKTKGSQKF-DOMZBBRYSA-N 2 2 262.372 3.069 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000796701111 629816621 /nfs/dbraw/zinc/81/66/21/629816621.db2.gz GOLCLOYAZBKDKR-SOUVJXGZSA-N 2 2 263.429 3.322 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796907273 629857417 /nfs/dbraw/zinc/85/74/17/629857417.db2.gz NUIAVCJTYPIFJQ-LMMKCTJWSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796907273 629857419 /nfs/dbraw/zinc/85/74/19/629857419.db2.gz NUIAVCJTYPIFJQ-LMMKCTJWSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H]2CCC[C@@H]21 ZINC000796907273 629857421 /nfs/dbraw/zinc/85/74/21/629857421.db2.gz NUIAVCJTYPIFJQ-LMMKCTJWSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H]2CCC[C@@H]21 ZINC000796907273 629857423 /nfs/dbraw/zinc/85/74/23/629857423.db2.gz NUIAVCJTYPIFJQ-LMMKCTJWSA-N 2 2 299.462 3.354 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000797116491 629891113 /nfs/dbraw/zinc/89/11/13/629891113.db2.gz ZXOSWUOAPFGFBD-KBPBESRZSA-N 2 2 272.502 3.371 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000797116491 629891115 /nfs/dbraw/zinc/89/11/15/629891115.db2.gz ZXOSWUOAPFGFBD-KBPBESRZSA-N 2 2 272.502 3.371 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000800495968 630289687 /nfs/dbraw/zinc/28/96/87/630289687.db2.gz RURIWBPLVAFCEW-UHFFFAOYSA-N 2 2 295.858 3.396 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575561 630753360 /nfs/dbraw/zinc/75/33/60/630753360.db2.gz HNADVKQTGSBRSQ-UMVBOHGHSA-N 2 2 293.480 3.358 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575561 630753363 /nfs/dbraw/zinc/75/33/63/630753363.db2.gz HNADVKQTGSBRSQ-UMVBOHGHSA-N 2 2 293.480 3.358 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(C3CC3)n2)cc1 ZINC000809739108 630795346 /nfs/dbraw/zinc/79/53/46/630795346.db2.gz XPTALNPIULCZSI-UHFFFAOYSA-N 2 2 299.418 3.246 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(C3CC3)n2)cc1 ZINC000809739108 630795352 /nfs/dbraw/zinc/79/53/52/630795352.db2.gz XPTALNPIULCZSI-UHFFFAOYSA-N 2 2 299.418 3.246 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(Cl)c(C)c1 ZINC000809755299 630800324 /nfs/dbraw/zinc/80/03/24/630800324.db2.gz IFDFRGUETPKZGA-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(Cl)c(C)c1 ZINC000809755299 630800329 /nfs/dbraw/zinc/80/03/29/630800329.db2.gz IFDFRGUETPKZGA-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817948545 632245439 /nfs/dbraw/zinc/24/54/39/632245439.db2.gz BKJGFQRTBDVYHW-IRXDYDNUSA-N 2 2 288.435 3.194 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000817954014 632248978 /nfs/dbraw/zinc/24/89/78/632248978.db2.gz VABNWDFFTXMWJK-YPMHNXCESA-N 2 2 282.815 3.060 20 0 CGADLP Cc1cc(NC2CCC(C)([NH+](C)C)CC2)nc(C2CC2)[nH+]1 ZINC000866148866 633012780 /nfs/dbraw/zinc/01/27/80/633012780.db2.gz XVTVEOYJGLGJMJ-UHFFFAOYSA-N 2 2 288.439 3.337 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H](C)[NH+](C)C ZINC000866259834 633048779 /nfs/dbraw/zinc/04/87/79/633048779.db2.gz QIMMHPKJFQVHKT-HUUCEWRRSA-N 2 2 285.435 3.096 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H](C)C[NH+](C)C ZINC000866355778 633096886 /nfs/dbraw/zinc/09/68/86/633096886.db2.gz DJFURQNMTJVIOA-GJZGRUSLSA-N 2 2 285.435 3.096 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC=CC3)CC2)cc1 ZINC000122073479 633306210 /nfs/dbraw/zinc/30/62/10/633306210.db2.gz ZGTTXCBBGXVQOP-UHFFFAOYSA-N 2 2 285.435 3.030 20 0 CGADLP C[C@@]1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321935 633605473 /nfs/dbraw/zinc/60/54/73/633605473.db2.gz JMKGVNKJNDLCGT-PWSUYJOCSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@]1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321935 633605476 /nfs/dbraw/zinc/60/54/76/633605476.db2.gz JMKGVNKJNDLCGT-PWSUYJOCSA-N 2 2 288.222 3.173 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)CC ZINC000872023931 633945033 /nfs/dbraw/zinc/94/50/33/633945033.db2.gz LMJSEIAQQMCVAR-AWEZNQCLSA-N 2 2 251.418 3.468 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000872029094 633948411 /nfs/dbraw/zinc/94/84/11/633948411.db2.gz VRFXMCCJQHKFCW-IAGOWNOFSA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000872032768 633951867 /nfs/dbraw/zinc/95/18/67/633951867.db2.gz ZDUQLEINFFAGGX-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872107756 634032136 /nfs/dbraw/zinc/03/21/36/634032136.db2.gz SEQPUNBDHCAFPN-YOEHRIQHSA-N 2 2 299.418 3.338 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000872141712 634064759 /nfs/dbraw/zinc/06/47/59/634064759.db2.gz PHNNEZQYSQLMNZ-LBPRGKRZSA-N 2 2 278.318 3.104 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000872141712 634064760 /nfs/dbraw/zinc/06/47/60/634064760.db2.gz PHNNEZQYSQLMNZ-LBPRGKRZSA-N 2 2 278.318 3.104 20 0 CGADLP c1cn(-c2ccc(CNc3[nH+]ccn3C3CC3)cc2)c[nH+]1 ZINC000840887646 635075534 /nfs/dbraw/zinc/07/55/34/635075534.db2.gz RTLACLSZKOOFKH-UHFFFAOYSA-N 2 2 279.347 3.016 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000877619368 635115782 /nfs/dbraw/zinc/11/57/82/635115782.db2.gz XJRWUBQHTLSLFW-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000877619368 635115789 /nfs/dbraw/zinc/11/57/89/635115789.db2.gz XJRWUBQHTLSLFW-UONOGXRCSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738132 635170427 /nfs/dbraw/zinc/17/04/27/635170427.db2.gz ABCLAFLHELYEST-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738132 635170433 /nfs/dbraw/zinc/17/04/33/635170433.db2.gz ABCLAFLHELYEST-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738132 635170438 /nfs/dbraw/zinc/17/04/38/635170438.db2.gz ABCLAFLHELYEST-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1cc(F)cc(F)c1 ZINC000877738132 635170444 /nfs/dbraw/zinc/17/04/44/635170444.db2.gz ABCLAFLHELYEST-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256784 635436340 /nfs/dbraw/zinc/43/63/40/635436340.db2.gz CMJMYPJJYBSBRW-ZFWWWQNUSA-N 2 2 295.858 3.206 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256784 635436350 /nfs/dbraw/zinc/43/63/50/635436350.db2.gz CMJMYPJJYBSBRW-ZFWWWQNUSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256784 635436354 /nfs/dbraw/zinc/43/63/54/635436354.db2.gz CMJMYPJJYBSBRW-ZFWWWQNUSA-N 2 2 295.858 3.206 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)[C@@H](C)C1 ZINC000878256784 635436359 /nfs/dbraw/zinc/43/63/59/635436359.db2.gz CMJMYPJJYBSBRW-ZFWWWQNUSA-N 2 2 295.858 3.206 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1sccc1Cl ZINC000883165484 636562439 /nfs/dbraw/zinc/56/24/39/636562439.db2.gz FXEJTQWGNNBZQK-NSHDSACASA-N 2 2 269.801 3.339 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)n1 ZINC000883302031 636658448 /nfs/dbraw/zinc/65/84/48/636658448.db2.gz OOXWWNAOUUZZQF-UHFFFAOYSA-N 2 2 293.842 3.007 20 0 CGADLP CCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387564 636729312 /nfs/dbraw/zinc/72/93/12/636729312.db2.gz ZQJFNOMWTOFHDA-GOEBONIOSA-N 2 2 257.381 3.403 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439518 636757298 /nfs/dbraw/zinc/75/72/98/636757298.db2.gz TZSRZNZWSNVLCB-SQNIBIBYSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439518 636757305 /nfs/dbraw/zinc/75/73/05/636757305.db2.gz TZSRZNZWSNVLCB-SQNIBIBYSA-N 2 2 288.435 3.110 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000885946859 637325268 /nfs/dbraw/zinc/32/52/68/637325268.db2.gz SUVWDMLGRFKYBI-AEFFLSMTSA-N 2 2 299.418 3.310 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000221972164 637770992 /nfs/dbraw/zinc/77/09/92/637770992.db2.gz JUYKAKCKJTVRIK-RHSMWYFYSA-N 2 2 280.431 3.323 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000222554207 637802063 /nfs/dbraw/zinc/80/20/63/637802063.db2.gz MSSWGYMDZUJHQF-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924551801 638360395 /nfs/dbraw/zinc/36/03/95/638360395.db2.gz JYADDBMBYKSSKU-SECBINFHSA-N 2 2 289.326 3.314 20 0 CGADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ncccc1Cl ZINC000924553604 638360467 /nfs/dbraw/zinc/36/04/67/638360467.db2.gz SEQKVCKRMDIEGS-CYBMUJFWSA-N 2 2 278.787 3.063 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924572876 638366118 /nfs/dbraw/zinc/36/61/18/638366118.db2.gz MWGVKRDCROZVEQ-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924572876 638366122 /nfs/dbraw/zinc/36/61/22/638366122.db2.gz MWGVKRDCROZVEQ-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684600 638388572 /nfs/dbraw/zinc/38/85/72/638388572.db2.gz LKPHFQXVQPOUGW-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684600 638388581 /nfs/dbraw/zinc/38/85/81/638388581.db2.gz LKPHFQXVQPOUGW-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924730797 638395707 /nfs/dbraw/zinc/39/57/07/638395707.db2.gz QYFBKKVSVMKUBW-BFYDXBDKSA-N 2 2 295.471 3.217 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(Cl)CC1 ZINC000924807594 638407730 /nfs/dbraw/zinc/40/77/30/638407730.db2.gz MZXPSXCNKJNRMS-LBPRGKRZSA-N 2 2 275.783 3.122 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC[N@@H+]1C ZINC000925140055 638458948 /nfs/dbraw/zinc/45/89/48/638458948.db2.gz HUIQQUSPNNACKY-LALPHHSUSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC[N@H+]1C ZINC000925140055 638458949 /nfs/dbraw/zinc/45/89/49/638458949.db2.gz HUIQQUSPNNACKY-LALPHHSUSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cnn(C2CCC2)c1 ZINC000925167358 638466985 /nfs/dbraw/zinc/46/69/85/638466985.db2.gz BVBWCYVHYRTFHF-KGLIPLIRSA-N 2 2 299.422 3.033 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC000925483629 638509028 /nfs/dbraw/zinc/50/90/28/638509028.db2.gz WHXCGUWGLCANSV-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCNc1ccccc1)c1ccccc1 ZINC000925504175 638513436 /nfs/dbraw/zinc/51/34/36/638513436.db2.gz MQYMSIOKYKVBKZ-QAPCUYQASA-N 2 2 283.419 3.167 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C12CCC2 ZINC000925507861 638514339 /nfs/dbraw/zinc/51/43/39/638514339.db2.gz OCFVMNGSVVJEDP-GJZGRUSLSA-N 2 2 299.443 3.170 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCCO1 ZINC000925524991 638519138 /nfs/dbraw/zinc/51/91/38/638519138.db2.gz CVQPDRKXWNOIJP-IKGGRYGDSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCCO1 ZINC000925524991 638519142 /nfs/dbraw/zinc/51/91/42/638519142.db2.gz CVQPDRKXWNOIJP-IKGGRYGDSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925579678 638535891 /nfs/dbraw/zinc/53/58/91/638535891.db2.gz NVBBCHVVWKHTEA-HOCLYGCPSA-N 2 2 288.460 3.488 20 0 CGADLP C[C@H]([NH3+])[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599566 638541029 /nfs/dbraw/zinc/54/10/29/638541029.db2.gz ABWRXIMKNYLLMW-KSSFIOAISA-N 2 2 296.418 3.182 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925654414 638557875 /nfs/dbraw/zinc/55/78/75/638557875.db2.gz LTVPPDIQSDRBOE-VXOWAWLSSA-N 2 2 288.460 3.056 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925652166 638558018 /nfs/dbraw/zinc/55/80/18/638558018.db2.gz NREQIVZZMVMJSL-KRWDZBQOSA-N 2 2 287.451 3.273 20 0 CGADLP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925689250 638569890 /nfs/dbraw/zinc/56/98/90/638569890.db2.gz BXSMHETWGFZXHB-HONMWMINSA-N 2 2 294.801 3.209 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000925758922 638599753 /nfs/dbraw/zinc/59/97/53/638599753.db2.gz IGBAJOZEDOBVIY-OAHLLOKOSA-N 3 2 298.434 3.137 20 0 CGADLP Cc1cc(N[C@@H](c2ccccc2)[C@H](C)[NH3+])c[nH+]c1C ZINC000925770601 638604669 /nfs/dbraw/zinc/60/46/69/638604669.db2.gz WZTSGDARYBUWNA-BLLLJJGKSA-N 2 2 255.365 3.199 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000925781003 638611827 /nfs/dbraw/zinc/61/18/27/638611827.db2.gz CPTWIPANEBJDME-HBUWYVDXSA-N 2 2 281.403 3.007 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926231360 638748128 /nfs/dbraw/zinc/74/81/28/638748128.db2.gz ZXXGZNVDJAYKPS-FQLMCAECSA-N 2 2 273.424 3.002 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858531818 638756620 /nfs/dbraw/zinc/75/66/20/638756620.db2.gz BFHFXXLJQWSRBZ-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858531818 638756622 /nfs/dbraw/zinc/75/66/22/638756622.db2.gz BFHFXXLJQWSRBZ-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926323988 638763016 /nfs/dbraw/zinc/76/30/16/638763016.db2.gz QTUQEIVWFDQGEU-CSLYMUCUSA-N 2 2 294.483 3.044 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926323988 638763018 /nfs/dbraw/zinc/76/30/18/638763018.db2.gz QTUQEIVWFDQGEU-CSLYMUCUSA-N 2 2 294.483 3.044 20 0 CGADLP FC1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926639669 638793325 /nfs/dbraw/zinc/79/33/25/638793325.db2.gz SYNFKGQTMWFHGT-QDIHITRGSA-N 2 2 268.420 3.121 20 0 CGADLP FC1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926639669 638793327 /nfs/dbraw/zinc/79/33/27/638793327.db2.gz SYNFKGQTMWFHGT-QDIHITRGSA-N 2 2 268.420 3.121 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](C[NH+](C)C)OCC)c1ccsc1 ZINC000926963862 638829307 /nfs/dbraw/zinc/82/93/07/638829307.db2.gz VLPHPMXGIANLNK-LSDHHAIUSA-N 2 2 284.469 3.146 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109786 638843108 /nfs/dbraw/zinc/84/31/08/638843108.db2.gz NWMCIQKEEGAFKD-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927109786 638843110 /nfs/dbraw/zinc/84/31/10/638843110.db2.gz NWMCIQKEEGAFKD-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP CCSc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000929265273 638913706 /nfs/dbraw/zinc/91/37/06/638913706.db2.gz ZWGOIAVXUTWUCE-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779655 638950512 /nfs/dbraw/zinc/95/05/12/638950512.db2.gz GYIXLVOWKCZNHH-NVXWUHKLSA-N 2 2 275.440 3.003 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779655 638950513 /nfs/dbraw/zinc/95/05/13/638950513.db2.gz GYIXLVOWKCZNHH-NVXWUHKLSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779655 638950514 /nfs/dbraw/zinc/95/05/14/638950514.db2.gz GYIXLVOWKCZNHH-NVXWUHKLSA-N 2 2 275.440 3.003 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)n2)C[C@H]1C ZINC000929779655 638950515 /nfs/dbraw/zinc/95/05/15/638950515.db2.gz GYIXLVOWKCZNHH-NVXWUHKLSA-N 2 2 275.440 3.003 20 0 CGADLP COC/C(C)=C\C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000930089668 638973498 /nfs/dbraw/zinc/97/34/98/638973498.db2.gz FKLMNKDUILDSGU-WJDWOHSUSA-N 2 2 290.451 3.079 20 0 CGADLP COC/C(C)=C\C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000930089668 638973500 /nfs/dbraw/zinc/97/35/00/638973500.db2.gz FKLMNKDUILDSGU-WJDWOHSUSA-N 2 2 290.451 3.079 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)C(C)(C)c2ccccc2)c(C)[nH+]1 ZINC000930211115 638983246 /nfs/dbraw/zinc/98/32/46/638983246.db2.gz AVKFABVZUGRJFJ-CYBMUJFWSA-N 2 2 271.408 3.482 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccns1 ZINC000858579747 638998135 /nfs/dbraw/zinc/99/81/35/638998135.db2.gz YVKKOGUWPGZXIV-LBPRGKRZSA-N 2 2 279.453 3.201 20 0 CGADLP Cc1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000191981040 640342460 /nfs/dbraw/zinc/34/24/60/640342460.db2.gz IBBBPHMDMOFFMH-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415139345 640858953 /nfs/dbraw/zinc/85/89/53/640858953.db2.gz RJGBWFCBUNHTPQ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415139345 640858955 /nfs/dbraw/zinc/85/89/55/640858955.db2.gz RJGBWFCBUNHTPQ-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1[nH+]cn2cc(Nc3ccc(N4CCCC4)[nH+]c3)ccc12 ZINC001250328564 805573607 /nfs/dbraw/zinc/57/36/07/805573607.db2.gz UEASDNARBSMAIY-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]2C1 ZINC001157692057 805853480 /nfs/dbraw/zinc/85/34/80/805853480.db2.gz UBQNPLAPXSRVNT-HOTGVXAUSA-N 2 2 281.403 3.013 20 0 CGADLP c1[nH]c2c(cccc2Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)[nH+]1 ZINC001159922022 806200631 /nfs/dbraw/zinc/20/06/31/806200631.db2.gz GOZUGOGRZWIBSA-CQSZACIVSA-N 2 2 294.358 3.047 20 0 CGADLP CCCCC[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253540666 806244196 /nfs/dbraw/zinc/24/41/96/806244196.db2.gz GMAMLAMIJLBITB-SFHVURJKSA-N 2 2 296.499 3.266 20 0 CGADLP CCCCC[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253540666 806244197 /nfs/dbraw/zinc/24/41/97/806244197.db2.gz GMAMLAMIJLBITB-SFHVURJKSA-N 2 2 296.499 3.266 20 0 CGADLP Cc1cc2[nH]ccc2c(NCc2c[nH+]cn2C(C)C)[nH+]1 ZINC001161564675 806394046 /nfs/dbraw/zinc/39/40/46/806394046.db2.gz APPQPKVVQDIHDN-UHFFFAOYSA-N 2 2 269.352 3.261 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC(C)(C)C1 ZINC001254840757 806495961 /nfs/dbraw/zinc/49/59/61/806495961.db2.gz NLVWYMFUVQMYGO-VNQPRFMTSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254843710 806496057 /nfs/dbraw/zinc/49/60/57/806496057.db2.gz JILMDIMABBJCEZ-YOEHRIQHSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841414 806495512 /nfs/dbraw/zinc/49/55/12/806495512.db2.gz WHVLHDNJSVXRTD-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254845883 806497396 /nfs/dbraw/zinc/49/73/96/806497396.db2.gz RKSGTCRGOJWPLQ-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851853 806498750 /nfs/dbraw/zinc/49/87/50/806498750.db2.gz CGDTXNGYRLZZSZ-WMLDXEAASA-N 2 2 270.420 3.090 20 0 CGADLP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851853 806498753 /nfs/dbraw/zinc/49/87/53/806498753.db2.gz CGDTXNGYRLZZSZ-WMLDXEAASA-N 2 2 270.420 3.090 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2ccc3c([nH+]2)CCC3)c1 ZINC001162129453 806510296 /nfs/dbraw/zinc/51/02/96/806510296.db2.gz GESSVMHLAJRJHJ-UHFFFAOYSA-N 2 2 297.402 3.364 20 0 CGADLP CCc1cc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001162258386 806542760 /nfs/dbraw/zinc/54/27/60/806542760.db2.gz KMWPFQNYWSVRQG-UONOGXRCSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001162258386 806542769 /nfs/dbraw/zinc/54/27/69/806542769.db2.gz KMWPFQNYWSVRQG-UONOGXRCSA-N 2 2 290.455 3.134 20 0 CGADLP F[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135441 806552466 /nfs/dbraw/zinc/55/24/66/806552466.db2.gz BIXLNDMAHMUXDD-BDXSIMOUSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255135441 806552471 /nfs/dbraw/zinc/55/24/71/806552471.db2.gz BIXLNDMAHMUXDD-BDXSIMOUSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255135441 806552478 /nfs/dbraw/zinc/55/24/78/806552478.db2.gz BIXLNDMAHMUXDD-BDXSIMOUSA-N 2 2 288.410 3.226 20 0 CGADLP F[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255135441 806552479 /nfs/dbraw/zinc/55/24/79/806552479.db2.gz BIXLNDMAHMUXDD-BDXSIMOUSA-N 2 2 288.410 3.226 20 0 CGADLP CCCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255314643 806605803 /nfs/dbraw/zinc/60/58/03/806605803.db2.gz PEZAKETYHBGRQL-OAHLLOKOSA-N 2 2 275.440 3.466 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162793038 806667209 /nfs/dbraw/zinc/66/72/09/806667209.db2.gz JTUVXBDNPRTQDW-NILFDRSVSA-N 2 2 285.778 3.074 20 0 CGADLP Cc1cc(Cl)c(C)c(NC2CC3(C2)CCC[NH2+]C3)[nH+]1 ZINC001162982213 806688863 /nfs/dbraw/zinc/68/88/63/806688863.db2.gz SRWCRMKBUUUFHB-UHFFFAOYSA-N 2 2 279.815 3.296 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000036934691 798853102 /nfs/dbraw/zinc/85/31/02/798853102.db2.gz JKQHITQRLBVWLU-AWEZNQCLSA-N 2 2 275.440 3.203 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(c2ccccc2)C1 ZINC000037154265 798859837 /nfs/dbraw/zinc/85/98/37/798859837.db2.gz BLQGRVBUISNEEF-ZLPCBKJTSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1 ZINC000037156323 798860487 /nfs/dbraw/zinc/86/04/87/798860487.db2.gz FDEOUGMZBYBBDV-CYBMUJFWSA-N 2 2 263.410 3.149 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255704891 806712427 /nfs/dbraw/zinc/71/24/27/806712427.db2.gz HCIOYXFMSMPUNB-NEPJUHHUSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255704891 806712429 /nfs/dbraw/zinc/71/24/29/806712429.db2.gz HCIOYXFMSMPUNB-NEPJUHHUSA-N 2 2 287.329 3.128 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000309888640 799220479 /nfs/dbraw/zinc/22/04/79/799220479.db2.gz CSXGVUHVJDPGKQ-RCCFBDPRSA-N 2 2 293.414 3.404 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000309888640 799220486 /nfs/dbraw/zinc/22/04/86/799220486.db2.gz CSXGVUHVJDPGKQ-RCCFBDPRSA-N 2 2 293.414 3.404 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)C[C@H]1c1ccccc1 ZINC000319236469 799245581 /nfs/dbraw/zinc/24/55/81/799245581.db2.gz WAQRYJJUBZAYPC-UHOSZYNNSA-N 2 2 296.389 3.240 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)C[C@H]1c1ccccc1 ZINC000319236469 799245584 /nfs/dbraw/zinc/24/55/84/799245584.db2.gz WAQRYJJUBZAYPC-UHOSZYNNSA-N 2 2 296.389 3.240 20 0 CGADLP Cc1cc(N[C@H](C[NH3+])c2ccccc2)nc(C(C)(C)C)[nH+]1 ZINC001163298179 806738051 /nfs/dbraw/zinc/73/80/51/806738051.db2.gz WUGARGQWCQFXKY-CQSZACIVSA-N 2 2 284.407 3.194 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000381741082 799385348 /nfs/dbraw/zinc/38/53/48/799385348.db2.gz MAADLTOFCNBYSF-RHSMWYFYSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000381741082 799385355 /nfs/dbraw/zinc/38/53/55/799385355.db2.gz MAADLTOFCNBYSF-RHSMWYFYSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382219834 799394636 /nfs/dbraw/zinc/39/46/36/799394636.db2.gz FCDNIPPYXOXEJW-CKUJCDMFSA-N 2 2 275.440 3.466 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000397744166 799519445 /nfs/dbraw/zinc/51/94/45/799519445.db2.gz AXGVFJNUSKUMJI-XJKSGUPXSA-N 2 2 269.392 3.397 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951945 799669512 /nfs/dbraw/zinc/66/95/12/799669512.db2.gz RYNGPBLQSMDYKS-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951945 799669518 /nfs/dbraw/zinc/66/95/18/799669518.db2.gz RYNGPBLQSMDYKS-IXDOHACOSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2s1 ZINC000693931896 799817510 /nfs/dbraw/zinc/81/75/10/799817510.db2.gz QXJOGSRZLUDDRR-STQMWFEESA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc2ccccc2s1 ZINC000693931896 799817514 /nfs/dbraw/zinc/81/75/14/799817514.db2.gz QXJOGSRZLUDDRR-STQMWFEESA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Cl)CC1 ZINC000695635280 799829280 /nfs/dbraw/zinc/82/92/80/799829280.db2.gz BRGZCEKKARCBDQ-RYUDHWBXSA-N 2 2 269.820 3.047 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000701960999 799901366 /nfs/dbraw/zinc/90/13/66/799901366.db2.gz ONVRMLXPMYIHKX-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000701960999 799901372 /nfs/dbraw/zinc/90/13/72/799901372.db2.gz ONVRMLXPMYIHKX-CZUORRHYSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001255941239 806790192 /nfs/dbraw/zinc/79/01/92/806790192.db2.gz LWVUCKGJZQBSLW-SNVBAGLBSA-N 2 2 275.849 3.007 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@H](C[N@@H+]1CCC13CCCCC3)C2 ZINC000707190293 799975505 /nfs/dbraw/zinc/97/55/05/799975505.db2.gz KLFDDFGCLMFUKA-KRWDZBQOSA-N 2 2 270.420 3.110 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@H](C[N@H+]1CCC13CCCCC3)C2 ZINC000707190293 799975508 /nfs/dbraw/zinc/97/55/08/799975508.db2.gz KLFDDFGCLMFUKA-KRWDZBQOSA-N 2 2 270.420 3.110 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001255951338 806795830 /nfs/dbraw/zinc/79/58/30/806795830.db2.gz IZSNXUOTRXXBPN-BBRMVZONSA-N 2 2 293.430 3.382 20 0 CGADLP CC1(C)CCC(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000709749191 800017307 /nfs/dbraw/zinc/01/73/07/800017307.db2.gz CYZXQJFRSCIVSU-UHFFFAOYSA-N 2 2 293.480 3.176 20 0 CGADLP CC1(C)CCC(C[N@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000709749191 800017310 /nfs/dbraw/zinc/01/73/10/800017310.db2.gz CYZXQJFRSCIVSU-UHFFFAOYSA-N 2 2 293.480 3.176 20 0 CGADLP Cc1cccc2c1[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256066735 806809075 /nfs/dbraw/zinc/80/90/75/806809075.db2.gz OVHDONYMBRZLGY-MRXNPFEDSA-N 2 2 286.419 3.035 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CC2)CC1 ZINC001256081232 806816157 /nfs/dbraw/zinc/81/61/57/806816157.db2.gz UYRIBIDGXDUMAU-UHFFFAOYSA-N 2 2 276.399 3.274 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000723623236 800332490 /nfs/dbraw/zinc/33/24/90/800332490.db2.gz VOOSQZUFRAMRKH-QBPKDAKJSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000723623236 800332498 /nfs/dbraw/zinc/33/24/98/800332498.db2.gz VOOSQZUFRAMRKH-QBPKDAKJSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1nc2c(o1)CCC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000825307245 800474611 /nfs/dbraw/zinc/47/46/11/800474611.db2.gz NFWJMVUZVXLMHZ-CYBMUJFWSA-N 2 2 291.439 3.259 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001256163629 806840479 /nfs/dbraw/zinc/84/04/79/806840479.db2.gz FIWDFMIDVGJYMY-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001256163629 806840486 /nfs/dbraw/zinc/84/04/86/806840486.db2.gz FIWDFMIDVGJYMY-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001256203090 806848696 /nfs/dbraw/zinc/84/86/96/806848696.db2.gz RAGUEVQYIRUJLW-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001256203090 806848705 /nfs/dbraw/zinc/84/87/05/806848705.db2.gz RAGUEVQYIRUJLW-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544629 806913251 /nfs/dbraw/zinc/91/32/51/806913251.db2.gz ZTSDCBVZKLJSMU-CIRFHOKZSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544629 806913254 /nfs/dbraw/zinc/91/32/54/806913254.db2.gz ZTSDCBVZKLJSMU-CIRFHOKZSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544629 806913256 /nfs/dbraw/zinc/91/32/56/806913256.db2.gz ZTSDCBVZKLJSMU-CIRFHOKZSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544629 806913261 /nfs/dbraw/zinc/91/32/61/806913261.db2.gz ZTSDCBVZKLJSMU-CIRFHOKZSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256557996 806914268 /nfs/dbraw/zinc/91/42/68/806914268.db2.gz PSOLFGODBNKVML-BBRMVZONSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256557996 806914274 /nfs/dbraw/zinc/91/42/74/806914274.db2.gz PSOLFGODBNKVML-BBRMVZONSA-N 2 2 294.389 3.236 20 0 CGADLP CCSc1cc[nH+]c(N2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001164249348 806923010 /nfs/dbraw/zinc/92/30/10/806923010.db2.gz DEBHBYNBLDEKJS-HNNXBMFYSA-N 2 2 279.453 3.149 20 0 CGADLP Cc1cccc2c(C)cc(N3CC[C@@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001165236526 806978975 /nfs/dbraw/zinc/97/89/75/806978975.db2.gz JOEQHJPNQNKVBU-IBGZPJMESA-N 2 2 295.430 3.432 20 0 CGADLP CC(C)(C)[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC001118511447 802579377 /nfs/dbraw/zinc/57/93/77/802579377.db2.gz OYGLAMVBLDSTFT-UHFFFAOYSA-N 2 2 275.421 3.217 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)s1 ZINC001204937806 812784487 /nfs/dbraw/zinc/78/44/87/812784487.db2.gz GTHJIHLIAYZTIM-AWEZNQCLSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)s1 ZINC001204937806 812784490 /nfs/dbraw/zinc/78/44/90/812784490.db2.gz GTHJIHLIAYZTIM-AWEZNQCLSA-N 2 2 252.427 3.014 20 0 CGADLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1N ZINC001244308620 803290940 /nfs/dbraw/zinc/29/09/40/803290940.db2.gz KATSKGQTNATTGX-GOSISDBHSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1N ZINC001244308620 803290944 /nfs/dbraw/zinc/29/09/44/803290944.db2.gz KATSKGQTNATTGX-GOSISDBHSA-N 2 2 295.430 3.031 20 0 CGADLP CNc1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc[nH+]1 ZINC001244977351 803601380 /nfs/dbraw/zinc/60/13/80/803601380.db2.gz ZDKXVAVBIBPZSY-UHFFFAOYSA-N 2 2 297.402 3.265 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137177885 803694440 /nfs/dbraw/zinc/69/44/40/803694440.db2.gz DHGRLCZEJQLUMT-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137177885 803694441 /nfs/dbraw/zinc/69/44/41/803694441.db2.gz DHGRLCZEJQLUMT-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP Cc1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]c1N ZINC001245538440 803796972 /nfs/dbraw/zinc/79/69/72/803796972.db2.gz FQJPUOAOQZBEQB-UHFFFAOYSA-N 2 2 297.402 3.114 20 0 CGADLP CC[N@H+](Cc1cc(C)c(OC)c(C)c1)C1CC[NH+](C)CC1 ZINC001138431126 803934461 /nfs/dbraw/zinc/93/44/61/803934461.db2.gz RZIDNEQPXKFZNW-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C1CC[NH+](C)CC1 ZINC001138431126 803934469 /nfs/dbraw/zinc/93/44/69/803934469.db2.gz RZIDNEQPXKFZNW-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(C)s1 ZINC001138570916 803970022 /nfs/dbraw/zinc/97/00/22/803970022.db2.gz MROBPCZIWHVSSP-UHFFFAOYSA-N 2 2 278.465 3.424 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(C)s1 ZINC001138570916 803970029 /nfs/dbraw/zinc/97/00/29/803970029.db2.gz MROBPCZIWHVSSP-UHFFFAOYSA-N 2 2 278.465 3.424 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H](C[NH3+])c2ccccc2)CC1 ZINC001246073962 804112108 /nfs/dbraw/zinc/11/21/08/804112108.db2.gz BUPUGFLILGCZAJ-PREGVCBESA-N 2 2 260.425 3.491 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@@H](C[NH3+])c1ccccc1)C2 ZINC001246074491 804112120 /nfs/dbraw/zinc/11/21/20/804112120.db2.gz DWJFVADPFXASQH-HKUYNNGSSA-N 2 2 280.415 3.142 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246077853 804116591 /nfs/dbraw/zinc/11/65/91/804116591.db2.gz UIJKISABSZXVKY-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246084454 804118962 /nfs/dbraw/zinc/11/89/62/804118962.db2.gz FJUYJZCMKNCMSF-NXOAAHMSSA-N 2 2 276.399 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c21 ZINC001139198319 804159522 /nfs/dbraw/zinc/15/95/22/804159522.db2.gz CNWAGYNDFVZKPX-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c21 ZINC001139198319 804159525 /nfs/dbraw/zinc/15/95/25/804159525.db2.gz CNWAGYNDFVZKPX-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c21 ZINC001139198319 804159529 /nfs/dbraw/zinc/15/95/29/804159529.db2.gz CNWAGYNDFVZKPX-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c21 ZINC001139198319 804159536 /nfs/dbraw/zinc/15/95/36/804159536.db2.gz CNWAGYNDFVZKPX-WMLDXEAASA-N 2 2 283.419 3.002 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246135815 804160702 /nfs/dbraw/zinc/16/07/02/804160702.db2.gz VQTYBHMJEGVOLL-RISCZKNCSA-N 2 2 296.867 3.162 20 0 CGADLP CC(C)[N@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH+](C)CC1 ZINC001139207605 804164208 /nfs/dbraw/zinc/16/42/08/804164208.db2.gz IBBGGWKHCHDQAQ-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH+](C)CC1 ZINC001139207605 804164211 /nfs/dbraw/zinc/16/42/11/804164211.db2.gz IBBGGWKHCHDQAQ-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c1F ZINC001246162492 804179108 /nfs/dbraw/zinc/17/91/08/804179108.db2.gz ZDPNTUODCZKCOG-NSHDSACASA-N 2 2 284.806 3.408 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CC2)C1 ZINC001139361311 804182931 /nfs/dbraw/zinc/18/29/31/804182931.db2.gz PJQUMIRWJJHRCD-CQSZACIVSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CC2)C1 ZINC001139361311 804182935 /nfs/dbraw/zinc/18/29/35/804182935.db2.gz PJQUMIRWJJHRCD-CQSZACIVSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001246209473 804208883 /nfs/dbraw/zinc/20/88/83/804208883.db2.gz GBTPZENYQGYBCV-COPLHBTASA-N 2 2 286.341 3.497 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001139605462 804223672 /nfs/dbraw/zinc/22/36/72/804223672.db2.gz ZOYBGZXLTGEJDY-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001139605462 804223679 /nfs/dbraw/zinc/22/36/79/804223679.db2.gz ZOYBGZXLTGEJDY-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238668 804230988 /nfs/dbraw/zinc/23/09/88/804230988.db2.gz HDNSZOVLOOYJDQ-HOTGVXAUSA-N 2 2 270.461 3.092 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)C[NH2+]1 ZINC001246240548 804232127 /nfs/dbraw/zinc/23/21/27/804232127.db2.gz QHDRWXPMUIABBD-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246274394 804250909 /nfs/dbraw/zinc/25/09/09/804250909.db2.gz WYKAAKQSLSWTOW-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246275537 804251127 /nfs/dbraw/zinc/25/11/27/804251127.db2.gz WYZWFMXYDWOFST-LLVKDONJSA-N 2 2 272.845 3.020 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246274595 804251595 /nfs/dbraw/zinc/25/15/95/804251595.db2.gz XZLFZZABVGDTIZ-HOTGVXAUSA-N 2 2 264.388 3.399 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCC2)C[NH2+]1 ZINC001246274982 804251810 /nfs/dbraw/zinc/25/18/10/804251810.db2.gz OELNYJYONADMOG-OAUYIBNBSA-N 2 2 276.399 3.397 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282755 804258091 /nfs/dbraw/zinc/25/80/91/804258091.db2.gz FPVJWDHJZCXVQA-KRWDZBQOSA-N 3 2 285.520 3.386 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282755 804258097 /nfs/dbraw/zinc/25/80/97/804258097.db2.gz FPVJWDHJZCXVQA-KRWDZBQOSA-N 3 2 285.520 3.386 20 0 CGADLP Cc1cc(O)cc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001139714601 804262566 /nfs/dbraw/zinc/26/25/66/804262566.db2.gz GBLCSOUUCOXYLR-UHFFFAOYSA-N 2 2 285.391 3.043 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246295953 804263567 /nfs/dbraw/zinc/26/35/67/804263567.db2.gz ZWOCBHACNQWNEI-XYPHTWIQSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C[NH2+]1 ZINC001246312824 804273427 /nfs/dbraw/zinc/27/34/27/804273427.db2.gz BEFIWJHUGZDKHJ-WMLDXEAASA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246313168 804275320 /nfs/dbraw/zinc/27/53/20/804275320.db2.gz DREDYKAFTUXFIG-APHBMKBZSA-N 2 2 264.388 3.253 20 0 CGADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC001246329790 804284184 /nfs/dbraw/zinc/28/41/84/804284184.db2.gz XBNHDVHVORKIJG-CYBMUJFWSA-N 2 2 297.240 3.026 20 0 CGADLP CCCCCC[C@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337644 804291267 /nfs/dbraw/zinc/29/12/67/804291267.db2.gz URFFDAFLMXGRGL-UONOGXRCSA-N 2 2 258.475 3.030 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CC2)c1 ZINC001246397014 804321121 /nfs/dbraw/zinc/32/11/21/804321121.db2.gz ALMRJKCMRLVQIK-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](OC(C)C)C1 ZINC001140025991 804355140 /nfs/dbraw/zinc/35/51/40/804355140.db2.gz HWHVVRDTTUUBMI-KRWDZBQOSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001140025991 804355147 /nfs/dbraw/zinc/35/51/47/804355147.db2.gz HWHVVRDTTUUBMI-KRWDZBQOSA-N 2 2 299.418 3.180 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001246508711 804367442 /nfs/dbraw/zinc/36/74/42/804367442.db2.gz XUQDMZXPDFABTL-GUDVDZBRSA-N 2 2 296.414 3.196 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@@H+]1CCC[NH2+]CC1)C2 ZINC001246525976 804378900 /nfs/dbraw/zinc/37/89/00/804378900.db2.gz UTAHRQDJCKBCHO-CYBMUJFWSA-N 2 2 299.245 3.146 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([N@H+]1CCC[NH2+]CC1)C2 ZINC001246525976 804378908 /nfs/dbraw/zinc/37/89/08/804378908.db2.gz UTAHRQDJCKBCHO-CYBMUJFWSA-N 2 2 299.245 3.146 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536530 804386769 /nfs/dbraw/zinc/38/67/69/804386769.db2.gz QGJCPSPGZWUHNZ-SUMDDJOVSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246536530 804386775 /nfs/dbraw/zinc/38/67/75/804386775.db2.gz QGJCPSPGZWUHNZ-SUMDDJOVSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246550557 804399996 /nfs/dbraw/zinc/39/99/96/804399996.db2.gz JPIQZAYNQGHDCV-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246550557 804400007 /nfs/dbraw/zinc/40/00/07/804400007.db2.gz JPIQZAYNQGHDCV-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559342 804408355 /nfs/dbraw/zinc/40/83/55/804408355.db2.gz PBLKJHIBOLGBGI-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559342 804408358 /nfs/dbraw/zinc/40/83/58/804408358.db2.gz PBLKJHIBOLGBGI-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560852 804409902 /nfs/dbraw/zinc/40/99/02/804409902.db2.gz UJNARSQOQMRLEN-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560852 804409907 /nfs/dbraw/zinc/40/99/07/804409907.db2.gz UJNARSQOQMRLEN-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP CC[C@@H]1CC([N@@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246588835 804431830 /nfs/dbraw/zinc/43/18/30/804431830.db2.gz LEODFCZXHIORTC-GBOPCIDUSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1CC([N@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246588835 804431835 /nfs/dbraw/zinc/43/18/35/804431835.db2.gz LEODFCZXHIORTC-GBOPCIDUSA-N 2 2 274.399 3.068 20 0 CGADLP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140433611 804433947 /nfs/dbraw/zinc/43/39/47/804433947.db2.gz JEPNCBNIDVIJMG-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140433611 804433950 /nfs/dbraw/zinc/43/39/50/804433950.db2.gz JEPNCBNIDVIJMG-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP Clc1cccc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246596448 804437138 /nfs/dbraw/zinc/43/71/38/804437138.db2.gz QGVJVIVSBYZXBM-MRXNPFEDSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc(C2CCC([NH+]3CC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246611790 804447046 /nfs/dbraw/zinc/44/70/46/804447046.db2.gz CFYJTPOOEBDIBV-UHFFFAOYSA-N 2 2 290.838 3.271 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246628106 804459082 /nfs/dbraw/zinc/45/90/82/804459082.db2.gz AKFBPCPAABZLPT-SLTXQBBLSA-N 2 2 264.457 3.275 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246628106 804459084 /nfs/dbraw/zinc/45/90/84/804459084.db2.gz AKFBPCPAABZLPT-SLTXQBBLSA-N 2 2 264.457 3.275 20 0 CGADLP CCCCCC1CCC([N@@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246660631 804483371 /nfs/dbraw/zinc/48/33/71/804483371.db2.gz FBERJMHDPMRYLF-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP CCCCCC1CCC([N@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246660631 804483373 /nfs/dbraw/zinc/48/33/73/804483373.db2.gz FBERJMHDPMRYLF-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246669504 804487693 /nfs/dbraw/zinc/48/76/93/804487693.db2.gz AUQFZYGVCVEDIQ-TYNCELHUSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246669504 804487698 /nfs/dbraw/zinc/48/76/98/804487698.db2.gz AUQFZYGVCVEDIQ-TYNCELHUSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246669501 804488168 /nfs/dbraw/zinc/48/81/68/804488168.db2.gz AUQFZYGVCVEDIQ-JMSVASOKSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246669501 804488172 /nfs/dbraw/zinc/48/81/72/804488172.db2.gz AUQFZYGVCVEDIQ-JMSVASOKSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666428 804488316 /nfs/dbraw/zinc/48/83/16/804488316.db2.gz UYQNCWAWPVVVJO-LFVTVUPYSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666428 804488322 /nfs/dbraw/zinc/48/83/22/804488322.db2.gz UYQNCWAWPVVVJO-LFVTVUPYSA-N 2 2 270.420 3.136 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246770679 804503367 /nfs/dbraw/zinc/50/33/67/804503367.db2.gz QXLXORVRNLPLRL-FICVDOATSA-N 2 2 278.827 3.445 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246770679 804503373 /nfs/dbraw/zinc/50/33/73/804503373.db2.gz QXLXORVRNLPLRL-FICVDOATSA-N 2 2 278.827 3.445 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)n1 ZINC001140804936 804522859 /nfs/dbraw/zinc/52/28/59/804522859.db2.gz KZKMRJBBJCLIBH-AWEZNQCLSA-N 2 2 284.388 3.357 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)n1 ZINC001140804936 804522863 /nfs/dbraw/zinc/52/28/63/804522863.db2.gz KZKMRJBBJCLIBH-AWEZNQCLSA-N 2 2 284.388 3.357 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H]1C ZINC001246826058 804538694 /nfs/dbraw/zinc/53/86/94/804538694.db2.gz AXWZFYUUYRDDHT-KVSVUVNWSA-N 2 2 278.362 3.023 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H]1C ZINC001246826058 804538698 /nfs/dbraw/zinc/53/86/98/804538698.db2.gz AXWZFYUUYRDDHT-KVSVUVNWSA-N 2 2 278.362 3.023 20 0 CGADLP CCCCC[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246826428 804539467 /nfs/dbraw/zinc/53/94/67/804539467.db2.gz DATHPOOUXFVBHP-UTUOFQBUSA-N 2 2 266.351 3.167 20 0 CGADLP CCCCC[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246826428 804539472 /nfs/dbraw/zinc/53/94/72/804539472.db2.gz DATHPOOUXFVBHP-UTUOFQBUSA-N 2 2 266.351 3.167 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837482 804546280 /nfs/dbraw/zinc/54/62/80/804546280.db2.gz UNBMTMKDKPAKPZ-JKSUJKDBSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837482 804546286 /nfs/dbraw/zinc/54/62/86/804546286.db2.gz UNBMTMKDKPAKPZ-JKSUJKDBSA-N 2 2 278.827 3.229 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(Sc3ccccc3)CC2)C[NH2+]1 ZINC001246874075 804575236 /nfs/dbraw/zinc/57/52/36/804575236.db2.gz IAPLMHGUNXVPHN-LSDHHAIUSA-N 2 2 290.476 3.384 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCCC[NH2+]C1 ZINC001246906514 804591544 /nfs/dbraw/zinc/59/15/44/804591544.db2.gz FETZUSGUSVDJBN-KRWDZBQOSA-N 2 2 260.425 3.267 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCCC[NH2+]C1 ZINC001246906514 804591549 /nfs/dbraw/zinc/59/15/49/804591549.db2.gz FETZUSGUSVDJBN-KRWDZBQOSA-N 2 2 260.425 3.267 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246906785 804591583 /nfs/dbraw/zinc/59/15/83/804591583.db2.gz HLMFZRSAAQPDLC-RWMBFGLXSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246906785 804591587 /nfs/dbraw/zinc/59/15/87/804591587.db2.gz HLMFZRSAAQPDLC-RWMBFGLXSA-N 2 2 266.816 3.473 20 0 CGADLP CCSC[C@@H](C)[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924442 804603649 /nfs/dbraw/zinc/60/36/49/804603649.db2.gz MNCXILKUMATLQA-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP CCSC[C@@H](C)[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246924442 804603654 /nfs/dbraw/zinc/60/36/54/804603654.db2.gz MNCXILKUMATLQA-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001246940570 804610794 /nfs/dbraw/zinc/61/07/94/804610794.db2.gz WZGKFBVFBIQEQP-LZWOXQAQSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001246940570 804610798 /nfs/dbraw/zinc/61/07/98/804610798.db2.gz WZGKFBVFBIQEQP-LZWOXQAQSA-N 2 2 278.465 3.287 20 0 CGADLP C[C@@H](CC1CC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978025 804625312 /nfs/dbraw/zinc/62/53/12/804625312.db2.gz IPOQSHDOKOUTJD-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978025 804625317 /nfs/dbraw/zinc/62/53/17/804625317.db2.gz IPOQSHDOKOUTJD-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001246980866 804627280 /nfs/dbraw/zinc/62/72/80/804627280.db2.gz MBZAXGKGDLTUCK-YPMHNXCESA-N 2 2 286.872 3.490 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001246980866 804627284 /nfs/dbraw/zinc/62/72/84/804627284.db2.gz MBZAXGKGDLTUCK-YPMHNXCESA-N 2 2 286.872 3.490 20 0 CGADLP CCCc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001142367009 804718853 /nfs/dbraw/zinc/71/88/53/804718853.db2.gz BKRUXJGWZAHOCZ-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP CCCc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001142367009 804718858 /nfs/dbraw/zinc/71/88/58/804718858.db2.gz BKRUXJGWZAHOCZ-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)ccc2[nH+]1 ZINC001143028220 804797250 /nfs/dbraw/zinc/79/72/50/804797250.db2.gz XVHCIXIRMDCWCV-HUUCEWRRSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@H]4CCC[C@H]43)ccc2[nH+]1 ZINC001143028220 804797251 /nfs/dbraw/zinc/79/72/51/804797251.db2.gz XVHCIXIRMDCWCV-HUUCEWRRSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)ccc2[nH+]1 ZINC001143028213 804797349 /nfs/dbraw/zinc/79/73/49/804797349.db2.gz XVHCIXIRMDCWCV-CABCVRRESA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)ccc2[nH+]1 ZINC001143028213 804797350 /nfs/dbraw/zinc/79/73/50/804797350.db2.gz XVHCIXIRMDCWCV-CABCVRRESA-N 2 2 255.365 3.099 20 0 CGADLP Cc1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC001248875458 805027196 /nfs/dbraw/zinc/02/71/96/805027196.db2.gz DNVUTAZXTSDXSS-UHFFFAOYSA-N 2 2 290.798 3.077 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2ccccc2c[nH+]1 ZINC001155019917 805523750 /nfs/dbraw/zinc/52/37/50/805523750.db2.gz GPDKQIDBGMVBLN-ZFWWWQNUSA-N 2 2 269.392 3.282 20 0 CGADLP COc1ccc2ccc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2c1 ZINC001155024158 805524848 /nfs/dbraw/zinc/52/48/48/805524848.db2.gz GOEISWMWVWUIDG-ZFWWWQNUSA-N 2 2 299.418 3.291 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2COc3ccc(Cl)cc32)CC1 ZINC001257212142 807062547 /nfs/dbraw/zinc/06/25/47/807062547.db2.gz VMXCBXMJCKMZNQ-HNNXBMFYSA-N 2 2 294.826 3.236 20 0 CGADLP CCC[C@@H](CC)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257249609 807068054 /nfs/dbraw/zinc/06/80/54/807068054.db2.gz RUWCKUKXSDXGFL-GFCCVEGCSA-N 2 2 255.431 3.135 20 0 CGADLP Cc1cc([NH2+]CC2CC[NH+](C(C)C)CC2)ccc1N ZINC001166623583 807072127 /nfs/dbraw/zinc/07/21/27/807072127.db2.gz PXOURHWGRUJRBY-UHFFFAOYSA-N 2 2 261.413 3.110 20 0 CGADLP CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257314819 807101775 /nfs/dbraw/zinc/10/17/75/807101775.db2.gz ZVWUJLDDGGGEFL-RBSFLKMASA-N 2 2 261.413 3.347 20 0 CGADLP CCCCCC1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001257374426 807131169 /nfs/dbraw/zinc/13/11/69/807131169.db2.gz YYCHHCCDCWSRDO-UHFFFAOYSA-N 2 2 296.499 3.172 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257414729 807144394 /nfs/dbraw/zinc/14/43/94/807144394.db2.gz RYEPZYLIPMZVCA-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257414729 807144399 /nfs/dbraw/zinc/14/43/99/807144399.db2.gz RYEPZYLIPMZVCA-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257427854 807151250 /nfs/dbraw/zinc/15/12/50/807151250.db2.gz WNXVDFREAJFTIE-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257427855 807151274 /nfs/dbraw/zinc/15/12/74/807151274.db2.gz WNXVDFREAJFTIE-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(-n2cccc2C[NH3+])c1 ZINC001167596035 807211013 /nfs/dbraw/zinc/21/10/13/807211013.db2.gz RVKCNRZDCGRJOC-UHFFFAOYSA-N 2 2 257.381 3.091 20 0 CGADLP Cc1c[nH+]c(NCc2ccc(N)[nH+]c2C)c2ccccc12 ZINC001167784816 807249924 /nfs/dbraw/zinc/24/99/24/807249924.db2.gz DIQLXFLESYDVHU-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP C[C@H]1CC([NH2+]Cc2cnoc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012615 807300947 /nfs/dbraw/zinc/30/09/47/807300947.db2.gz DCGLIYAEVLIAOX-GJZGRUSLSA-N 2 2 299.418 3.206 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258157054 807325767 /nfs/dbraw/zinc/32/57/67/807325767.db2.gz YPOKKDTWINHZSU-KKUMJFAQSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258157054 807325776 /nfs/dbraw/zinc/32/57/76/807325776.db2.gz YPOKKDTWINHZSU-KKUMJFAQSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(Cl)cc2)c1CC[NH3+] ZINC001168152106 807327816 /nfs/dbraw/zinc/32/78/16/807327816.db2.gz HKLNTINILGLNED-NSHDSACASA-N 2 2 277.799 3.150 20 0 CGADLP C[C@@H]1CC([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171427 807337794 /nfs/dbraw/zinc/33/77/94/807337794.db2.gz YKRBUOUHTUKKTF-OTRWWLKZSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H](C)C1 ZINC001258171427 807337802 /nfs/dbraw/zinc/33/78/02/807337802.db2.gz YKRBUOUHTUKKTF-OTRWWLKZSA-N 2 2 282.447 3.319 20 0 CGADLP CSCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258228307 807376135 /nfs/dbraw/zinc/37/61/35/807376135.db2.gz JCLPIYIEUNCMPX-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP CSCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001258228307 807376144 /nfs/dbraw/zinc/37/61/44/807376144.db2.gz JCLPIYIEUNCMPX-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP CC(C)[NH+]1CC(Nc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)C1 ZINC001168313695 807380467 /nfs/dbraw/zinc/38/04/67/807380467.db2.gz CAIKEAIKQCAZFO-UHFFFAOYSA-N 2 2 299.340 3.180 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC001258241988 807384608 /nfs/dbraw/zinc/38/46/08/807384608.db2.gz PLNNFESEVPXZJM-QGZVFWFLSA-N 2 2 282.472 3.142 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+](C2CCCCCCC2)CCO1 ZINC001258241988 807384615 /nfs/dbraw/zinc/38/46/15/807384615.db2.gz PLNNFESEVPXZJM-QGZVFWFLSA-N 2 2 282.472 3.142 20 0 CGADLP COc1ccc(CC[C@@H](C)[N@@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001258401221 807441375 /nfs/dbraw/zinc/44/13/75/807441375.db2.gz MQBVLAXHIJROHQ-CQSZACIVSA-N 2 2 299.418 3.037 20 0 CGADLP COc1ccc(CC[C@@H](C)[N@H+]2CCn3c(C)[nH+]cc3C2)cc1 ZINC001258401221 807441380 /nfs/dbraw/zinc/44/13/80/807441380.db2.gz MQBVLAXHIJROHQ-CQSZACIVSA-N 2 2 299.418 3.037 20 0 CGADLP CC1(C)CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258608443 807506096 /nfs/dbraw/zinc/50/60/96/807506096.db2.gz KLYORTFIQAYNBB-CQSZACIVSA-N 2 2 291.414 3.358 20 0 CGADLP COc1ccc2cc(NCC(C)(C)C[NH+](C)C)[nH+]cc2c1 ZINC001168764080 807506788 /nfs/dbraw/zinc/50/67/88/807506788.db2.gz ONKHYLAHRWYCHA-UHFFFAOYSA-N 2 2 287.407 3.243 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258663758 807531969 /nfs/dbraw/zinc/53/19/69/807531969.db2.gz YGIFSJBGCZDHBT-GUDVDZBRSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258663758 807531973 /nfs/dbraw/zinc/53/19/73/807531973.db2.gz YGIFSJBGCZDHBT-GUDVDZBRSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258663758 807531977 /nfs/dbraw/zinc/53/19/77/807531977.db2.gz YGIFSJBGCZDHBT-GUDVDZBRSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258663758 807531983 /nfs/dbraw/zinc/53/19/83/807531983.db2.gz YGIFSJBGCZDHBT-GUDVDZBRSA-N 2 2 286.463 3.424 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001169108322 807579471 /nfs/dbraw/zinc/57/94/71/807579471.db2.gz RBSBVLMLOKNMEA-ZSOGYDGISA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001169108322 807579473 /nfs/dbraw/zinc/57/94/73/807579473.db2.gz RBSBVLMLOKNMEA-ZSOGYDGISA-N 2 2 294.826 3.063 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258764228 807600670 /nfs/dbraw/zinc/60/06/70/807600670.db2.gz MLCLXHHEYNXGCY-DLBZAZTESA-N 2 2 282.472 3.142 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258764228 807600673 /nfs/dbraw/zinc/60/06/73/807600673.db2.gz MLCLXHHEYNXGCY-DLBZAZTESA-N 2 2 282.472 3.142 20 0 CGADLP CC[NH+]1CCC([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001169248786 807614559 /nfs/dbraw/zinc/61/45/59/807614559.db2.gz BVJHDVGRZLIEOA-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCC[C@@H](C)C2)c1CSCC[NH3+] ZINC001258809676 807628903 /nfs/dbraw/zinc/62/89/03/807628903.db2.gz ZULGCHIYOXGQTF-DGCLKSJQSA-N 2 2 267.442 3.135 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001258848956 807657288 /nfs/dbraw/zinc/65/72/88/807657288.db2.gz LHKQIAZTEZBVSW-QGZVFWFLSA-N 2 2 274.452 3.424 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001258848956 807657291 /nfs/dbraw/zinc/65/72/91/807657291.db2.gz LHKQIAZTEZBVSW-QGZVFWFLSA-N 2 2 274.452 3.424 20 0 CGADLP CCC[NH+](CCC)CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975434 807733060 /nfs/dbraw/zinc/73/30/60/807733060.db2.gz UPIDLGZSMYPXSM-UHFFFAOYSA-N 2 2 299.503 3.109 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001170109151 807759385 /nfs/dbraw/zinc/75/93/85/807759385.db2.gz KVSWPNGXYILSEP-UHOSZYNNSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001170263615 807807737 /nfs/dbraw/zinc/80/77/37/807807737.db2.gz MTJUDQCRNGUJAT-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001170263615 807807745 /nfs/dbraw/zinc/80/77/45/807807745.db2.gz MTJUDQCRNGUJAT-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001170263614 807807952 /nfs/dbraw/zinc/80/79/52/807807952.db2.gz MTJUDQCRNGUJAT-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001170263614 807807962 /nfs/dbraw/zinc/80/79/62/807807962.db2.gz MTJUDQCRNGUJAT-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001170727976 807888664 /nfs/dbraw/zinc/88/86/64/807888664.db2.gz QAUVJABSYCRCMR-BJWYYQGGSA-N 2 2 299.462 3.322 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C[C@@H]21 ZINC001170747325 807898109 /nfs/dbraw/zinc/89/81/09/807898109.db2.gz RXSPASXGSNIBJT-AYGBPOKTSA-N 2 2 286.419 3.359 20 0 CGADLP Fc1cccc2c1C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171000455 807954717 /nfs/dbraw/zinc/95/47/17/807954717.db2.gz HIKJDZYVMOLCPQ-HUUCEWRRSA-N 2 2 299.393 3.219 20 0 CGADLP Fc1cccc2c1CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171439422 808056918 /nfs/dbraw/zinc/05/69/18/808056918.db2.gz YTMJQELNWRNELS-INIZCTEOSA-N 2 2 299.393 3.217 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171549709 808091784 /nfs/dbraw/zinc/09/17/84/808091784.db2.gz DRUXLTZCIPZEHL-GOSISDBHSA-N 2 2 286.463 3.318 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(C)cccc2C1 ZINC001171570379 808099340 /nfs/dbraw/zinc/09/93/40/808099340.db2.gz KKLCOCWDESNUAY-SFHVURJKSA-N 2 2 286.463 3.268 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(C)cccc2C1 ZINC001171570379 808099347 /nfs/dbraw/zinc/09/93/47/808099347.db2.gz KKLCOCWDESNUAY-SFHVURJKSA-N 2 2 286.463 3.268 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171573408 808100390 /nfs/dbraw/zinc/10/03/90/808100390.db2.gz HWDJHLPUONRZKS-GOSISDBHSA-N 2 2 295.430 3.386 20 0 CGADLP Cc1cccc2c1CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171575360 808102030 /nfs/dbraw/zinc/10/20/30/808102030.db2.gz VIJMYGWTMPKOGM-SJORKVTESA-N 2 2 295.430 3.389 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2COc3ccccc32)CC1(C)C ZINC001171623324 808106020 /nfs/dbraw/zinc/10/60/20/808106020.db2.gz UBLAUVVIFLDTMF-OAHLLOKOSA-N 2 2 288.435 3.361 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC001171658731 808114722 /nfs/dbraw/zinc/11/47/22/808114722.db2.gz VBPFZMHUZQDDIE-IAGOWNOFSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171780427 808138073 /nfs/dbraw/zinc/13/80/73/808138073.db2.gz JXZJPORKBZJRCA-GOEBONIOSA-N 2 2 290.426 3.003 20 0 CGADLP CC[NH+](CC)C1CC[NH+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171804738 808144457 /nfs/dbraw/zinc/14/44/57/808144457.db2.gz HWKJITNWLXGVRP-INIZCTEOSA-N 2 2 290.426 3.099 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+]CCOc3cc[nH+]cc3)C2)cc1 ZINC001172555684 808383263 /nfs/dbraw/zinc/38/32/63/808383263.db2.gz FIVPRBIKNVGJQN-SJORKVTESA-N 2 2 282.387 3.386 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172839017 808454806 /nfs/dbraw/zinc/45/48/06/808454806.db2.gz AJIZYYVJZGIQIR-CHWSQXEVSA-N 2 2 298.833 3.484 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC001173246030 808553285 /nfs/dbraw/zinc/55/32/85/808553285.db2.gz LYAYGMAACGJHNS-HNNXBMFYSA-N 2 2 251.418 3.468 20 0 CGADLP CCSC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001173307023 808603665 /nfs/dbraw/zinc/60/36/65/808603665.db2.gz BVFVISMIJXNHSU-CQSZACIVSA-N 2 2 293.480 3.090 20 0 CGADLP Cc1ccc2[nH+]c(N)n(-c3ccc(-c4[nH]cc[nH+]4)cc3)c2c1 ZINC001213085608 815229219 /nfs/dbraw/zinc/22/92/19/815229219.db2.gz NVIQAFIXDZSKNZ-UHFFFAOYSA-N 2 2 289.342 3.306 20 0 CGADLP CCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275115143 808910847 /nfs/dbraw/zinc/91/08/47/808910847.db2.gz HCDUBGXJQAIWPP-UHFFFAOYSA-N 2 2 278.362 3.137 20 0 CGADLP CCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275115143 808910853 /nfs/dbraw/zinc/91/08/53/808910853.db2.gz HCDUBGXJQAIWPP-UHFFFAOYSA-N 2 2 278.362 3.137 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001275731975 808961603 /nfs/dbraw/zinc/96/16/03/808961603.db2.gz NXUZOHAOWRRMEO-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001275731975 808961606 /nfs/dbraw/zinc/96/16/06/808961606.db2.gz NXUZOHAOWRRMEO-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC001275731975 808961609 /nfs/dbraw/zinc/96/16/09/808961609.db2.gz NXUZOHAOWRRMEO-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001275731975 808961613 /nfs/dbraw/zinc/96/16/13/808961613.db2.gz NXUZOHAOWRRMEO-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001276764316 809028535 /nfs/dbraw/zinc/02/85/35/809028535.db2.gz KVRGLVVMFJHWJF-HTBDUDNFSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001276764316 809028540 /nfs/dbraw/zinc/02/85/40/809028540.db2.gz KVRGLVVMFJHWJF-HTBDUDNFSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001276764316 809028546 /nfs/dbraw/zinc/02/85/46/809028546.db2.gz KVRGLVVMFJHWJF-HTBDUDNFSA-N 2 2 286.463 3.147 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001276764316 809028550 /nfs/dbraw/zinc/02/85/50/809028550.db2.gz KVRGLVVMFJHWJF-HTBDUDNFSA-N 2 2 286.463 3.147 20 0 CGADLP Cc1cc(C)c(Nc2ccc(N3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001174815554 809170332 /nfs/dbraw/zinc/17/03/32/809170332.db2.gz LXNUBTHSDMYQTF-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1cc(C)c(Nc2c[nH+]ccc2N2CCCC2)c[nH+]1 ZINC001213510646 815293761 /nfs/dbraw/zinc/29/37/61/815293761.db2.gz GRYVZJUPMKNICF-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP Cc1cc(C)c(Nc2ccccc2N2CC[NH+](C)CC2)c[nH+]1 ZINC001213513363 815294416 /nfs/dbraw/zinc/29/44/16/815294416.db2.gz FSBHSSWMGSQXLX-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175973169 809587868 /nfs/dbraw/zinc/58/78/68/809587868.db2.gz QRYYMFQCLHBJOY-UHFFFAOYSA-N 2 2 255.365 3.345 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2ccc(C[NH3+])cc2)cc1 ZINC001175973169 809587872 /nfs/dbraw/zinc/58/78/72/809587872.db2.gz QRYYMFQCLHBJOY-UHFFFAOYSA-N 2 2 255.365 3.345 20 0 CGADLP COc1cc[nH+]cc1Nc1cc[nH+]cc1Oc1ccccc1 ZINC001176119584 809628051 /nfs/dbraw/zinc/62/80/51/809628051.db2.gz VFOOPXXRBVLFRD-UHFFFAOYSA-N 2 2 293.326 3.443 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001179142878 809906166 /nfs/dbraw/zinc/90/61/66/809906166.db2.gz ONSVPFVWYNREMV-HRCADAONSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001179142878 809906173 /nfs/dbraw/zinc/90/61/73/809906173.db2.gz ONSVPFVWYNREMV-HRCADAONSA-N 2 2 264.457 3.441 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001179168806 809907766 /nfs/dbraw/zinc/90/77/66/809907766.db2.gz JYELZCUAVMABDN-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001179168806 809907770 /nfs/dbraw/zinc/90/77/70/809907770.db2.gz JYELZCUAVMABDN-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768723 809943051 /nfs/dbraw/zinc/94/30/51/809943051.db2.gz UKFAJONSMAGOEF-CABCVRRESA-N 2 2 252.446 3.134 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768723 809943057 /nfs/dbraw/zinc/94/30/57/809943057.db2.gz UKFAJONSMAGOEF-CABCVRRESA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768724 809943729 /nfs/dbraw/zinc/94/37/29/809943729.db2.gz UKFAJONSMAGOEF-GJZGRUSLSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768724 809943734 /nfs/dbraw/zinc/94/37/34/809943734.db2.gz UKFAJONSMAGOEF-GJZGRUSLSA-N 2 2 252.446 3.134 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182844172 810126740 /nfs/dbraw/zinc/12/67/40/810126740.db2.gz KUOAJNKPBYRUPH-HOTGVXAUSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182844172 810126742 /nfs/dbraw/zinc/12/67/42/810126742.db2.gz KUOAJNKPBYRUPH-HOTGVXAUSA-N 2 2 272.436 3.179 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919135 810130657 /nfs/dbraw/zinc/13/06/57/810130657.db2.gz VPPLCVWGWNWIJT-XLMAVXFVSA-N 2 2 276.468 3.419 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919135 810130661 /nfs/dbraw/zinc/13/06/61/810130661.db2.gz VPPLCVWGWNWIJT-XLMAVXFVSA-N 2 2 276.468 3.419 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001183066194 810135747 /nfs/dbraw/zinc/13/57/47/810135747.db2.gz VLUDFWLYRDNIRV-BBRMVZONSA-N 2 2 294.414 3.084 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001183066194 810135753 /nfs/dbraw/zinc/13/57/53/810135753.db2.gz VLUDFWLYRDNIRV-BBRMVZONSA-N 2 2 294.414 3.084 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C)co1 ZINC001198901728 811551745 /nfs/dbraw/zinc/55/17/45/811551745.db2.gz YPUFCGHKYPXQDV-UHFFFAOYSA-N 2 2 252.402 3.190 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001201390242 811824849 /nfs/dbraw/zinc/82/48/49/811824849.db2.gz RXBZVCMRGGQWEG-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP CCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201640787 811928672 /nfs/dbraw/zinc/92/86/72/811928672.db2.gz BHJKPYCNVCIIMK-UHFFFAOYSA-N 2 2 281.359 3.404 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(C)[nH+]1 ZINC001203242416 812277897 /nfs/dbraw/zinc/27/78/97/812277897.db2.gz AKAZYTNJQMFIJC-INIZCTEOSA-N 2 2 299.418 3.072 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c(C)[nH+]1 ZINC001203242416 812277907 /nfs/dbraw/zinc/27/79/07/812277907.db2.gz AKAZYTNJQMFIJC-INIZCTEOSA-N 2 2 299.418 3.072 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)o1 ZINC001203297451 812299424 /nfs/dbraw/zinc/29/94/24/812299424.db2.gz CSJORCPJCXVSDY-UHFFFAOYSA-N 2 2 285.391 3.004 20 0 CGADLP Cc1ccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)o1 ZINC001203297451 812299429 /nfs/dbraw/zinc/29/94/29/812299429.db2.gz CSJORCPJCXVSDY-UHFFFAOYSA-N 2 2 285.391 3.004 20 0 CGADLP CC(C)[N@H+](Cc1c[nH]c2ccccc12)C1CC[NH+](C)CC1 ZINC001204049770 812534020 /nfs/dbraw/zinc/53/40/20/812534020.db2.gz JSGSLARTWDRNKU-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1c[nH]c2ccccc12)C1CC[NH+](C)CC1 ZINC001204049770 812534025 /nfs/dbraw/zinc/53/40/25/812534025.db2.gz JSGSLARTWDRNKU-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3CCC[NH2+]CC3)cc12 ZINC001204667927 812704347 /nfs/dbraw/zinc/70/43/47/812704347.db2.gz PQGCYUVZIWRVCV-UHFFFAOYSA-N 2 2 280.371 3.381 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3CCC[NH2+]CC3)cc12 ZINC001204667927 812704352 /nfs/dbraw/zinc/70/43/52/812704352.db2.gz PQGCYUVZIWRVCV-UHFFFAOYSA-N 2 2 280.371 3.381 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1C(C)C ZINC001204792697 812738324 /nfs/dbraw/zinc/73/83/24/812738324.db2.gz YSRQECOZQJBGSY-KRWDZBQOSA-N 2 2 276.424 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)cc1C(C)C ZINC001204792697 812738331 /nfs/dbraw/zinc/73/83/31/812738331.db2.gz YSRQECOZQJBGSY-KRWDZBQOSA-N 2 2 276.424 3.050 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204808365 812743394 /nfs/dbraw/zinc/74/33/94/812743394.db2.gz AXZXTABAOCMVPO-KRWDZBQOSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204808365 812743400 /nfs/dbraw/zinc/74/34/00/812743400.db2.gz AXZXTABAOCMVPO-KRWDZBQOSA-N 2 2 276.424 3.014 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC001204925056 812777941 /nfs/dbraw/zinc/77/79/41/812777941.db2.gz KWZAKBWCWULTLT-CYBMUJFWSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC001204925056 812777945 /nfs/dbraw/zinc/77/79/45/812777945.db2.gz KWZAKBWCWULTLT-CYBMUJFWSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204932226 812782326 /nfs/dbraw/zinc/78/23/26/812782326.db2.gz IKFMRLHFDIXRCG-KRWDZBQOSA-N 2 2 260.425 3.342 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204932226 812782331 /nfs/dbraw/zinc/78/23/31/812782331.db2.gz IKFMRLHFDIXRCG-KRWDZBQOSA-N 2 2 260.425 3.342 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204938847 812787176 /nfs/dbraw/zinc/78/71/76/812787176.db2.gz NLXNXUZUKJDCJZ-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204938847 812787178 /nfs/dbraw/zinc/78/71/78/812787178.db2.gz NLXNXUZUKJDCJZ-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001205018800 812829333 /nfs/dbraw/zinc/82/93/33/812829333.db2.gz ZGIQCYQMZWGMBX-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001205018800 812829343 /nfs/dbraw/zinc/82/93/43/812829343.db2.gz ZGIQCYQMZWGMBX-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1F ZINC001205199189 812906616 /nfs/dbraw/zinc/90/66/16/812906616.db2.gz ZOGHETFPHZNREY-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1F ZINC001205199189 812906623 /nfs/dbraw/zinc/90/66/23/812906623.db2.gz ZOGHETFPHZNREY-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@H]1C[NH3+] ZINC001205306535 812943097 /nfs/dbraw/zinc/94/30/97/812943097.db2.gz WUJSPLTYRVQXRU-VXGBXAGGSA-N 2 2 291.826 3.238 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@H]1C[NH3+] ZINC001205306535 812943102 /nfs/dbraw/zinc/94/31/02/812943102.db2.gz WUJSPLTYRVQXRU-VXGBXAGGSA-N 2 2 291.826 3.238 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205913226 813129361 /nfs/dbraw/zinc/12/93/61/813129361.db2.gz HQWWCLMLCQMAGC-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205913226 813129364 /nfs/dbraw/zinc/12/93/64/813129364.db2.gz HQWWCLMLCQMAGC-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205931520 813138863 /nfs/dbraw/zinc/13/88/63/813138863.db2.gz KKSBQIYMZMSESE-ZDUSSCGKSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205931520 813138866 /nfs/dbraw/zinc/13/88/66/813138866.db2.gz KKSBQIYMZMSESE-ZDUSSCGKSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205932695 813139081 /nfs/dbraw/zinc/13/90/81/813139081.db2.gz SRKWOTZMEPZLLI-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205932695 813139084 /nfs/dbraw/zinc/13/90/84/813139084.db2.gz SRKWOTZMEPZLLI-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001205931896 813139252 /nfs/dbraw/zinc/13/92/52/813139252.db2.gz MAEDXHFGYVBIGA-OAHLLOKOSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001205931896 813139255 /nfs/dbraw/zinc/13/92/55/813139255.db2.gz MAEDXHFGYVBIGA-OAHLLOKOSA-N 2 2 270.376 3.260 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205932716 813139364 /nfs/dbraw/zinc/13/93/64/813139364.db2.gz TWZIFJFTTIEFHV-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205932716 813139366 /nfs/dbraw/zinc/13/93/66/813139366.db2.gz TWZIFJFTTIEFHV-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205939404 813141294 /nfs/dbraw/zinc/14/12/94/813141294.db2.gz QTLLCPRFZKESQC-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001205939404 813141297 /nfs/dbraw/zinc/14/12/97/813141297.db2.gz QTLLCPRFZKESQC-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938712 813141565 /nfs/dbraw/zinc/14/15/65/813141565.db2.gz KAWUNIIYZHLRND-OAHLLOKOSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205938712 813141571 /nfs/dbraw/zinc/14/15/71/813141571.db2.gz KAWUNIIYZHLRND-OAHLLOKOSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC001206037882 813177053 /nfs/dbraw/zinc/17/70/53/813177053.db2.gz YYZDVDCZPYHWLZ-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC001206037882 813177057 /nfs/dbraw/zinc/17/70/57/813177057.db2.gz YYZDVDCZPYHWLZ-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2c1 ZINC001206043882 813179701 /nfs/dbraw/zinc/17/97/01/813179701.db2.gz YAVFRUNFNPJOPB-IAQYHMDHSA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2c1 ZINC001206043882 813179707 /nfs/dbraw/zinc/17/97/07/813179707.db2.gz YAVFRUNFNPJOPB-IAQYHMDHSA-N 2 2 290.432 3.079 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206352251 813299706 /nfs/dbraw/zinc/29/97/06/813299706.db2.gz RYZUKBPHLJOOLB-QGZVFWFLSA-N 2 2 294.414 3.127 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206352251 813299709 /nfs/dbraw/zinc/29/97/09/813299709.db2.gz RYZUKBPHLJOOLB-QGZVFWFLSA-N 2 2 294.414 3.127 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363075 813304881 /nfs/dbraw/zinc/30/48/81/813304881.db2.gz SXTYOMXYHCFULZ-HNNXBMFYSA-N 2 2 282.428 3.061 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206363075 813304886 /nfs/dbraw/zinc/30/48/86/813304886.db2.gz SXTYOMXYHCFULZ-HNNXBMFYSA-N 2 2 282.428 3.061 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C[C@@H]1OC ZINC001206661380 813391065 /nfs/dbraw/zinc/39/10/65/813391065.db2.gz VXLWPIZNIIDCJL-BBWFWOEESA-N 2 2 296.499 3.290 20 0 CGADLP CCCCCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206711285 813403621 /nfs/dbraw/zinc/40/36/21/813403621.db2.gz HSRKTSUCIXHBHR-UHFFFAOYSA-N 2 2 276.424 3.036 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001206717944 813406922 /nfs/dbraw/zinc/40/69/22/813406922.db2.gz HVHMRFPMOKGUOK-UHFFFAOYSA-N 2 2 272.417 3.196 20 0 CGADLP Cc1ccc(-c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)o1 ZINC001206730773 813411670 /nfs/dbraw/zinc/41/16/70/813411670.db2.gz ZHFSZYFLSHBILC-UHFFFAOYSA-N 2 2 270.376 3.036 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001206736430 813413141 /nfs/dbraw/zinc/41/31/41/813413141.db2.gz FWJLICHJKQDMQX-UHFFFAOYSA-N 2 2 296.414 3.046 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cccc2[nH+]cn(C)c21 ZINC001206748372 813418321 /nfs/dbraw/zinc/41/83/21/813418321.db2.gz GCQNMQJPLGPBJW-UHFFFAOYSA-N 2 2 281.363 3.086 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001207093954 813483618 /nfs/dbraw/zinc/48/36/18/813483618.db2.gz ONHBZTPEFLMKRD-IRXDYDNUSA-N 2 2 296.499 3.194 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001207093954 813483624 /nfs/dbraw/zinc/48/36/24/813483624.db2.gz ONHBZTPEFLMKRD-IRXDYDNUSA-N 2 2 296.499 3.194 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001207132631 813494971 /nfs/dbraw/zinc/49/49/71/813494971.db2.gz LNLIYLUICBNUGC-HUUCEWRRSA-N 2 2 280.362 3.008 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2cccc(OC)c2)CC1 ZINC001207427817 813564303 /nfs/dbraw/zinc/56/43/03/813564303.db2.gz QZOUTTHIUQMMJH-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207583705 813600498 /nfs/dbraw/zinc/60/04/98/813600498.db2.gz KBVXBBNVJDVXTE-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1cccc(Cl)c1)C2 ZINC001207583705 813600502 /nfs/dbraw/zinc/60/05/02/813600502.db2.gz KBVXBBNVJDVXTE-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP F[C@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1[NH+]1CCCCC1 ZINC001207636272 813625079 /nfs/dbraw/zinc/62/50/79/813625079.db2.gz TZEGFMANJHIOPT-PNKHAZJDSA-N 2 2 292.442 3.097 20 0 CGADLP F[C@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1[NH+]1CCCCC1 ZINC001207636272 813625083 /nfs/dbraw/zinc/62/50/83/813625083.db2.gz TZEGFMANJHIOPT-PNKHAZJDSA-N 2 2 292.442 3.097 20 0 CGADLP F[C@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1[NH+]1CCCCC1 ZINC001207636269 813625923 /nfs/dbraw/zinc/62/59/23/813625923.db2.gz TZEGFMANJHIOPT-ADHGMGHFSA-N 2 2 292.442 3.097 20 0 CGADLP F[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@@H]1[NH+]1CCCCC1 ZINC001207636269 813625926 /nfs/dbraw/zinc/62/59/26/813625926.db2.gz TZEGFMANJHIOPT-ADHGMGHFSA-N 2 2 292.442 3.097 20 0 CGADLP C(CC1CCCC1)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208088679 813690989 /nfs/dbraw/zinc/69/09/89/813690989.db2.gz LNYTYFNQHIWNRQ-UHFFFAOYSA-N 2 2 276.468 3.375 20 0 CGADLP C(CC1CCCC1)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208088679 813690992 /nfs/dbraw/zinc/69/09/92/813690992.db2.gz LNYTYFNQHIWNRQ-UHFFFAOYSA-N 2 2 276.468 3.375 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670268 813791196 /nfs/dbraw/zinc/79/11/96/813791196.db2.gz WAEVPBVXGJVAJO-WMZOPIPTSA-N 2 2 286.463 3.380 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670268 813791205 /nfs/dbraw/zinc/79/12/05/813791205.db2.gz WAEVPBVXGJVAJO-WMZOPIPTSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670268 813791210 /nfs/dbraw/zinc/79/12/10/813791210.db2.gz WAEVPBVXGJVAJO-WMZOPIPTSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@@H]21 ZINC001208670268 813791218 /nfs/dbraw/zinc/79/12/18/813791218.db2.gz WAEVPBVXGJVAJO-WMZOPIPTSA-N 2 2 286.463 3.380 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ccc(C)cc12 ZINC001209498621 814064550 /nfs/dbraw/zinc/06/45/50/814064550.db2.gz GYJLPDXUUDJPTE-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ccc(C)cc12 ZINC001209498621 814064556 /nfs/dbraw/zinc/06/45/56/814064556.db2.gz GYJLPDXUUDJPTE-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1C(C)C ZINC001210496553 814489474 /nfs/dbraw/zinc/48/94/74/814489474.db2.gz IERBWNGVGNIKDE-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1C(C)C ZINC001210496553 814489477 /nfs/dbraw/zinc/48/94/77/814489477.db2.gz IERBWNGVGNIKDE-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC001210705407 814589783 /nfs/dbraw/zinc/58/97/83/814589783.db2.gz CQYMJDDHSZQMIR-MRXNPFEDSA-N 2 2 287.407 3.343 20 0 CGADLP c1cn2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001210707790 814590746 /nfs/dbraw/zinc/59/07/46/814590746.db2.gz FCWMUIIYQGEQFM-MRXNPFEDSA-N 2 2 282.391 3.278 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1F ZINC001216222499 815743005 /nfs/dbraw/zinc/74/30/05/815743005.db2.gz GQRNXZKXVHCTTG-UHFFFAOYSA-N 2 2 296.349 3.474 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c2occc21 ZINC001222252525 816387916 /nfs/dbraw/zinc/38/79/16/816387916.db2.gz GCYQXKZERPWUPY-KRWDZBQOSA-N 2 2 288.366 3.290 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c2occc21 ZINC001222252525 816387922 /nfs/dbraw/zinc/38/79/22/816387922.db2.gz GCYQXKZERPWUPY-KRWDZBQOSA-N 2 2 288.366 3.290 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2cccccc1-2 ZINC001222287367 816397435 /nfs/dbraw/zinc/39/74/35/816397435.db2.gz IBLZSXIVVHXHDX-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2cccccc1-2 ZINC001222287367 816397444 /nfs/dbraw/zinc/39/74/44/816397444.db2.gz IBLZSXIVVHXHDX-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385737 816427071 /nfs/dbraw/zinc/42/70/71/816427071.db2.gz VFNQDFNKOPZCDB-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385737 816427075 /nfs/dbraw/zinc/42/70/75/816427075.db2.gz VFNQDFNKOPZCDB-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390643 816428407 /nfs/dbraw/zinc/42/84/07/816428407.db2.gz SSRHYJBTZGGEQL-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)c1 ZINC001222390643 816428410 /nfs/dbraw/zinc/42/84/10/816428410.db2.gz SSRHYJBTZGGEQL-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]cc1 ZINC001225290714 816997584 /nfs/dbraw/zinc/99/75/84/816997584.db2.gz GQCRTVKIVBEGPH-YJBOKZPZSA-N 2 2 282.387 3.371 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]cc1 ZINC001225290714 816997589 /nfs/dbraw/zinc/99/75/89/816997589.db2.gz GQCRTVKIVBEGPH-YJBOKZPZSA-N 2 2 282.387 3.371 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]cc1 ZINC001225290712 816997843 /nfs/dbraw/zinc/99/78/43/816997843.db2.gz GQCRTVKIVBEGPH-MAUKXSAKSA-N 2 2 282.387 3.371 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]cc1 ZINC001225290712 816997846 /nfs/dbraw/zinc/99/78/46/816997846.db2.gz GQCRTVKIVBEGPH-MAUKXSAKSA-N 2 2 282.387 3.371 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1C ZINC001231485020 818109921 /nfs/dbraw/zinc/10/99/21/818109921.db2.gz GLOUBXTZYJRWLZ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1C ZINC001231485020 818109927 /nfs/dbraw/zinc/10/99/27/818109927.db2.gz GLOUBXTZYJRWLZ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1C ZINC001231485020 818109930 /nfs/dbraw/zinc/10/99/30/818109930.db2.gz GLOUBXTZYJRWLZ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1C ZINC001231485020 818109935 /nfs/dbraw/zinc/10/99/35/818109935.db2.gz GLOUBXTZYJRWLZ-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)n1 ZINC001232005552 818230769 /nfs/dbraw/zinc/23/07/69/818230769.db2.gz XJVWYVAGELVURR-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)n1 ZINC001232005552 818230775 /nfs/dbraw/zinc/23/07/75/818230775.db2.gz XJVWYVAGELVURR-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)n1 ZINC001232015390 818235146 /nfs/dbraw/zinc/23/51/46/818235146.db2.gz GEOCAXRPYBWGSE-AWEZNQCLSA-N 2 2 284.388 3.357 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)n1 ZINC001232015390 818235148 /nfs/dbraw/zinc/23/51/48/818235148.db2.gz GEOCAXRPYBWGSE-AWEZNQCLSA-N 2 2 284.388 3.357 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c[nH+]1 ZINC001232461152 818356951 /nfs/dbraw/zinc/35/69/51/818356951.db2.gz XOZJCZYHGAGAEN-UHFFFAOYSA-N 2 2 279.387 3.279 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001232616179 818400460 /nfs/dbraw/zinc/40/04/60/818400460.db2.gz MWCYRKWHJXBOQY-NVXWUHKLSA-N 2 2 286.444 3.285 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001232616179 818400462 /nfs/dbraw/zinc/40/04/62/818400462.db2.gz MWCYRKWHJXBOQY-NVXWUHKLSA-N 2 2 286.444 3.285 20 0 CGADLP F[C@@H]1CCC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233363413 818596944 /nfs/dbraw/zinc/59/69/44/818596944.db2.gz CLWJUMPCDJLHOY-CQSZACIVSA-N 2 2 287.382 3.439 20 0 CGADLP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1-n1cc[nH+]c1 ZINC001234076236 818772678 /nfs/dbraw/zinc/77/26/78/818772678.db2.gz TWOBTOPMBVBUBO-UHFFFAOYSA-N 2 2 297.402 3.399 20 0 CGADLP COc1cc(C[N@H+]2CCCCC23CC3)ccc1-n1cc[nH+]c1 ZINC001234076236 818772682 /nfs/dbraw/zinc/77/26/82/818772682.db2.gz TWOBTOPMBVBUBO-UHFFFAOYSA-N 2 2 297.402 3.399 20 0 CGADLP Oc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042387 818988783 /nfs/dbraw/zinc/98/87/83/818988783.db2.gz BDXDJGYXJXMHIR-INIZCTEOSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042387 818988785 /nfs/dbraw/zinc/98/87/85/818988785.db2.gz BDXDJGYXJXMHIR-INIZCTEOSA-N 2 2 294.826 3.154 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110166 819005124 /nfs/dbraw/zinc/00/51/24/819005124.db2.gz JBCSIWSNCHHUEK-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110166 819005126 /nfs/dbraw/zinc/00/51/26/819005126.db2.gz JBCSIWSNCHHUEK-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110903 819005344 /nfs/dbraw/zinc/00/53/44/819005344.db2.gz ODBPOHGGXBYUOC-SFHVURJKSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110903 819005351 /nfs/dbraw/zinc/00/53/51/819005351.db2.gz ODBPOHGGXBYUOC-SFHVURJKSA-N 2 2 272.436 3.213 20 0 CGADLP Fc1ccccc1CCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169502 819022215 /nfs/dbraw/zinc/02/22/15/819022215.db2.gz BDIQWSDZNMRZLP-GOSISDBHSA-N 2 2 290.426 3.366 20 0 CGADLP Fc1ccccc1CCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169502 819022219 /nfs/dbraw/zinc/02/22/19/819022219.db2.gz BDIQWSDZNMRZLP-GOSISDBHSA-N 2 2 290.426 3.366 20 0 CGADLP Cc1c(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cccc1-c1ccccc1 ZINC001235186069 819028493 /nfs/dbraw/zinc/02/84/93/819028493.db2.gz AEKDUAZOOJBBIG-AZUAARDMSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cccc1-c1ccccc1 ZINC001235186069 819028498 /nfs/dbraw/zinc/02/84/98/819028498.db2.gz AEKDUAZOOJBBIG-AZUAARDMSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(F)c1F ZINC001235191070 819029608 /nfs/dbraw/zinc/02/96/08/819029608.db2.gz PILKLKITCKFRNG-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(F)c1F ZINC001235191070 819029610 /nfs/dbraw/zinc/02/96/10/819029610.db2.gz PILKLKITCKFRNG-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235832 819043053 /nfs/dbraw/zinc/04/30/53/819043053.db2.gz SRBVTDJARNVBDE-IPELMVKDSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235235832 819043057 /nfs/dbraw/zinc/04/30/57/819043057.db2.gz SRBVTDJARNVBDE-IPELMVKDSA-N 2 2 286.463 3.425 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2cccc(F)c2[nH]1 ZINC001235253439 819050166 /nfs/dbraw/zinc/05/01/66/819050166.db2.gz RUZBGFSVPADXAJ-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2cccc(F)c2[nH]1 ZINC001235253439 819050170 /nfs/dbraw/zinc/05/01/70/819050170.db2.gz RUZBGFSVPADXAJ-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235260752 819054750 /nfs/dbraw/zinc/05/47/50/819054750.db2.gz HJCSBPUUJIKGGJ-RISCZKNCSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235260752 819054752 /nfs/dbraw/zinc/05/47/52/819054752.db2.gz HJCSBPUUJIKGGJ-RISCZKNCSA-N 2 2 296.867 3.246 20 0 CGADLP c1ccc(Cc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264327 819057271 /nfs/dbraw/zinc/05/72/71/819057271.db2.gz WYRKQISWZYWQLK-UXHICEINSA-N 2 2 292.426 3.071 20 0 CGADLP c1ccc(Cc2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264327 819057275 /nfs/dbraw/zinc/05/72/75/819057275.db2.gz WYRKQISWZYWQLK-UXHICEINSA-N 2 2 292.426 3.071 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001235360682 819077586 /nfs/dbraw/zinc/07/75/86/819077586.db2.gz ALLLBLXPIGWZFJ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1c(C[N@H+]2CC[C@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001235360682 819077591 /nfs/dbraw/zinc/07/75/91/819077591.db2.gz ALLLBLXPIGWZFJ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001235361394 819078686 /nfs/dbraw/zinc/07/86/86/819078686.db2.gz FUYSYJBWGPQCDY-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001235361394 819078690 /nfs/dbraw/zinc/07/86/90/819078690.db2.gz FUYSYJBWGPQCDY-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235405838 819087929 /nfs/dbraw/zinc/08/79/29/819087929.db2.gz PECNBGCMHPZHTR-GDBMZVCRSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235405838 819087933 /nfs/dbraw/zinc/08/79/33/819087933.db2.gz PECNBGCMHPZHTR-GDBMZVCRSA-N 2 2 296.817 3.172 20 0 CGADLP Oc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235440277 819100333 /nfs/dbraw/zinc/10/03/33/819100333.db2.gz DQOOOADEHSXXDL-UHFFFAOYSA-N 2 2 288.435 3.063 20 0 CGADLP Oc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235440277 819100334 /nfs/dbraw/zinc/10/03/34/819100334.db2.gz DQOOOADEHSXXDL-UHFFFAOYSA-N 2 2 288.435 3.063 20 0 CGADLP Clc1cccc2[nH]cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c21 ZINC001235710599 819147046 /nfs/dbraw/zinc/14/70/46/819147046.db2.gz CCKIVAVCNJGJRX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1cccc2[nH]cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c21 ZINC001235710599 819147049 /nfs/dbraw/zinc/14/70/49/819147049.db2.gz CCKIVAVCNJGJRX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC001235841293 819183821 /nfs/dbraw/zinc/18/38/21/819183821.db2.gz DCYMXZKTCXFUKN-NSHDSACASA-N 2 2 287.234 3.343 20 0 CGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c(Cl)cc1Cl ZINC001235841293 819183824 /nfs/dbraw/zinc/18/38/24/819183824.db2.gz DCYMXZKTCXFUKN-NSHDSACASA-N 2 2 287.234 3.343 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892057 819200036 /nfs/dbraw/zinc/20/00/36/819200036.db2.gz LBKTYFIHPQCYSQ-UKRRQHHQSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892057 819200040 /nfs/dbraw/zinc/20/00/40/819200040.db2.gz LBKTYFIHPQCYSQ-UKRRQHHQSA-N 2 2 284.403 3.160 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001235925290 819225158 /nfs/dbraw/zinc/22/51/58/819225158.db2.gz PYJJOQMDJFUYCS-ZDUSSCGKSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC001235925290 819225162 /nfs/dbraw/zinc/22/51/62/819225162.db2.gz PYJJOQMDJFUYCS-ZDUSSCGKSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC001235925595 819225410 /nfs/dbraw/zinc/22/54/10/819225410.db2.gz WQCUNHVCRAQNLB-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC001235925595 819225415 /nfs/dbraw/zinc/22/54/15/819225415.db2.gz WQCUNHVCRAQNLB-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235938005 819232351 /nfs/dbraw/zinc/23/23/51/819232351.db2.gz KJVNACINKGVVKP-RYUDHWBXSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235938005 819232356 /nfs/dbraw/zinc/23/23/56/819232356.db2.gz KJVNACINKGVVKP-RYUDHWBXSA-N 2 2 299.245 3.343 20 0 CGADLP CC[N@@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235961660 819248985 /nfs/dbraw/zinc/24/89/85/819248985.db2.gz DBYPERQCIWAKCG-GOSISDBHSA-N 2 2 286.394 3.218 20 0 CGADLP CC[N@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235961660 819248990 /nfs/dbraw/zinc/24/89/90/819248990.db2.gz DBYPERQCIWAKCG-GOSISDBHSA-N 2 2 286.394 3.218 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235961263 819249868 /nfs/dbraw/zinc/24/98/68/819249868.db2.gz CUUZQCILKKEHJZ-ZACQAIPSSA-N 2 2 282.472 3.249 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235961263 819249875 /nfs/dbraw/zinc/24/98/75/819249875.db2.gz CUUZQCILKKEHJZ-ZACQAIPSSA-N 2 2 282.472 3.249 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235961261 819250273 /nfs/dbraw/zinc/25/02/73/819250273.db2.gz CUUZQCILKKEHJZ-BRWVUGGUSA-N 2 2 282.472 3.249 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC001235961261 819250280 /nfs/dbraw/zinc/25/02/80/819250280.db2.gz CUUZQCILKKEHJZ-BRWVUGGUSA-N 2 2 282.472 3.249 20 0 CGADLP CC[N@H+](Cc1cccc2sccc21)[C@@H]1CC[NH2+]C1 ZINC001235975711 819256995 /nfs/dbraw/zinc/25/69/95/819256995.db2.gz NZMWRMYYBZPHCS-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP CC[N@@H+](Cc1cccc2sccc21)[C@@H]1CC[NH2+]C1 ZINC001235975711 819257000 /nfs/dbraw/zinc/25/70/00/819257000.db2.gz NZMWRMYYBZPHCS-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235994895 819264021 /nfs/dbraw/zinc/26/40/21/819264021.db2.gz VMQQWAMMXIVGOW-SJLPKXTDSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235994895 819264026 /nfs/dbraw/zinc/26/40/26/819264026.db2.gz VMQQWAMMXIVGOW-SJLPKXTDSA-N 2 2 272.436 3.297 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001236031833 819278274 /nfs/dbraw/zinc/27/82/74/819278274.db2.gz XTMOZNMPUMOUFZ-FZKQIMNGSA-N 2 2 278.355 3.119 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001236031833 819278281 /nfs/dbraw/zinc/27/82/81/819278281.db2.gz XTMOZNMPUMOUFZ-FZKQIMNGSA-N 2 2 278.355 3.119 20 0 CGADLP CCCCCOc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC001236141845 819342513 /nfs/dbraw/zinc/34/25/13/819342513.db2.gz MWJFOVPOCGRYKN-UHFFFAOYSA-N 2 2 264.413 3.036 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC001236141845 819342523 /nfs/dbraw/zinc/34/25/23/819342523.db2.gz MWJFOVPOCGRYKN-UHFFFAOYSA-N 2 2 264.413 3.036 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236203443 819365717 /nfs/dbraw/zinc/36/57/17/819365717.db2.gz ZECUJMGSBXWBLX-QGZVFWFLSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236203443 819365722 /nfs/dbraw/zinc/36/57/22/819365722.db2.gz ZECUJMGSBXWBLX-QGZVFWFLSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1nc2cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2s1 ZINC001236205565 819367640 /nfs/dbraw/zinc/36/76/40/819367640.db2.gz GWSJUMOZEXTJTI-MRXNPFEDSA-N 2 2 289.448 3.179 20 0 CGADLP Cc1nc2cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2s1 ZINC001236205565 819367644 /nfs/dbraw/zinc/36/76/44/819367644.db2.gz GWSJUMOZEXTJTI-MRXNPFEDSA-N 2 2 289.448 3.179 20 0 CGADLP C[N@H+](Cc1ccc(F)c(C2CC2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236210380 819372328 /nfs/dbraw/zinc/37/23/28/819372328.db2.gz UUNUSYNXGMJHAN-KRWDZBQOSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236210380 819372334 /nfs/dbraw/zinc/37/23/34/819372334.db2.gz UUNUSYNXGMJHAN-KRWDZBQOSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212962 819374158 /nfs/dbraw/zinc/37/41/58/819374158.db2.gz MWFUFOCXXCDFPW-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212962 819374165 /nfs/dbraw/zinc/37/41/65/819374165.db2.gz MWFUFOCXXCDFPW-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236217792 819384608 /nfs/dbraw/zinc/38/46/08/819384608.db2.gz QOEOZHLWOMOIBT-KBPBESRZSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236217792 819384614 /nfs/dbraw/zinc/38/46/14/819384614.db2.gz QOEOZHLWOMOIBT-KBPBESRZSA-N 2 2 282.815 3.050 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217775 819384921 /nfs/dbraw/zinc/38/49/21/819384921.db2.gz QFYCJTIFSRXXFD-YOEHRIQHSA-N 2 2 289.398 3.317 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217775 819384927 /nfs/dbraw/zinc/38/49/27/819384927.db2.gz QFYCJTIFSRXXFD-YOEHRIQHSA-N 2 2 289.398 3.317 20 0 CGADLP CCC[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236323084 819424615 /nfs/dbraw/zinc/42/46/15/819424615.db2.gz DCPCCJHQLWGUJK-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236323084 819424622 /nfs/dbraw/zinc/42/46/22/819424622.db2.gz DCPCCJHQLWGUJK-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236334444 819428269 /nfs/dbraw/zinc/42/82/69/819428269.db2.gz JVRCNSLVPXBLBE-SJORKVTESA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)c1 ZINC001236334444 819428274 /nfs/dbraw/zinc/42/82/74/819428274.db2.gz JVRCNSLVPXBLBE-SJORKVTESA-N 2 2 288.435 3.017 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)ccc1OC(C)C ZINC001236421552 819467805 /nfs/dbraw/zinc/46/78/05/819467805.db2.gz UNILIHIUYAYMOE-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)ccc1OC(C)C ZINC001236421552 819467809 /nfs/dbraw/zinc/46/78/09/819467809.db2.gz UNILIHIUYAYMOE-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP COc1cc2[nH+]c[nH]c2cc1-c1cccc(C[NH+](C)C)c1 ZINC001236422830 819470606 /nfs/dbraw/zinc/47/06/06/819470606.db2.gz IKXSWTNBLAAGJY-UHFFFAOYSA-N 2 2 281.359 3.300 20 0 CGADLP CC(C)[N@H+](Cc1ccc2cccnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467737 819488328 /nfs/dbraw/zinc/48/83/28/819488328.db2.gz IRISIFYHUAWLGH-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2cccnc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467737 819488332 /nfs/dbraw/zinc/48/83/32/819488332.db2.gz IRISIFYHUAWLGH-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)Oc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468414 819490181 /nfs/dbraw/zinc/49/01/81/819490181.db2.gz MVHDUWXNCHPOTQ-QGZVFWFLSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468414 819490184 /nfs/dbraw/zinc/49/01/84/819490184.db2.gz MVHDUWXNCHPOTQ-QGZVFWFLSA-N 2 2 290.451 3.436 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)sc1C ZINC001236470797 819490599 /nfs/dbraw/zinc/49/05/99/819490599.db2.gz PYMVAXNFDGOOJJ-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)sc1C ZINC001236470797 819490606 /nfs/dbraw/zinc/49/06/06/819490606.db2.gz PYMVAXNFDGOOJJ-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521548 819514889 /nfs/dbraw/zinc/51/48/89/819514889.db2.gz DYHMKACAIPCWAU-AEFFLSMTSA-N 2 2 272.436 3.440 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521548 819514892 /nfs/dbraw/zinc/51/48/92/819514892.db2.gz DYHMKACAIPCWAU-AEFFLSMTSA-N 2 2 272.436 3.440 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236526628 819517898 /nfs/dbraw/zinc/51/78/98/819517898.db2.gz CQWXHXLSAKFJAS-MRXNPFEDSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236526628 819517902 /nfs/dbraw/zinc/51/79/02/819517902.db2.gz CQWXHXLSAKFJAS-MRXNPFEDSA-N 2 2 276.424 3.046 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)cc21 ZINC001236530443 819522223 /nfs/dbraw/zinc/52/22/23/819522223.db2.gz QCQXSXGJVLIFDC-KRWDZBQOSA-N 2 2 285.435 3.234 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)cc21 ZINC001236530443 819522225 /nfs/dbraw/zinc/52/22/25/819522225.db2.gz QCQXSXGJVLIFDC-KRWDZBQOSA-N 2 2 285.435 3.234 20 0 CGADLP Fc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649731 819561407 /nfs/dbraw/zinc/56/14/07/819561407.db2.gz ZIXKGCHDZKKEDQ-HNNXBMFYSA-N 2 2 294.389 3.461 20 0 CGADLP Fc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649731 819561410 /nfs/dbraw/zinc/56/14/10/819561410.db2.gz ZIXKGCHDZKKEDQ-HNNXBMFYSA-N 2 2 294.389 3.461 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2ccc[nH+]c2N)cc1F ZINC001243478167 823416189 /nfs/dbraw/zinc/41/61/89/823416189.db2.gz UULXPHCBSLYEOJ-UHFFFAOYSA-N 2 2 273.355 3.312 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001236868498 819628062 /nfs/dbraw/zinc/62/80/62/819628062.db2.gz FJBIEGWNSPHPCQ-LBPRGKRZSA-N 2 2 290.329 3.063 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001236868498 819628067 /nfs/dbraw/zinc/62/80/67/819628067.db2.gz FJBIEGWNSPHPCQ-LBPRGKRZSA-N 2 2 290.329 3.063 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)c1 ZINC001236903436 819634947 /nfs/dbraw/zinc/63/49/47/819634947.db2.gz CODAFSQUGGZWAO-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)c1 ZINC001236903436 819634951 /nfs/dbraw/zinc/63/49/51/819634951.db2.gz CODAFSQUGGZWAO-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Clc1cc(C[NH+]2CC3CC(C3)C2)ccc1-n1cc[nH+]c1 ZINC001236913035 819636971 /nfs/dbraw/zinc/63/69/71/819636971.db2.gz YYYQYEDZEHGWON-UHFFFAOYSA-N 2 2 287.794 3.368 20 0 CGADLP CO[C@@H]1C[N@H+](C[C@@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101315 819667453 /nfs/dbraw/zinc/66/74/53/819667453.db2.gz BMXARLIXAFQKCX-FGTMMUONSA-N 2 2 292.467 3.117 20 0 CGADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101315 819667455 /nfs/dbraw/zinc/66/74/55/819667455.db2.gz BMXARLIXAFQKCX-FGTMMUONSA-N 2 2 292.467 3.117 20 0 CGADLP Cc1ccsc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237143289 819676412 /nfs/dbraw/zinc/67/64/12/819676412.db2.gz CVTNJGOXJWRDNB-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccsc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237143289 819676418 /nfs/dbraw/zinc/67/64/18/819676418.db2.gz CVTNJGOXJWRDNB-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc(C)c1O ZINC001237155604 819682635 /nfs/dbraw/zinc/68/26/35/819682635.db2.gz SOGBFYWAZMFBSX-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc(C)c1O ZINC001237155604 819682638 /nfs/dbraw/zinc/68/26/38/819682638.db2.gz SOGBFYWAZMFBSX-KRWDZBQOSA-N 2 2 288.435 3.116 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001237203612 819698252 /nfs/dbraw/zinc/69/82/52/819698252.db2.gz JDXNFJCOSFACMM-PBHICJAKSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC001237203612 819698253 /nfs/dbraw/zinc/69/82/53/819698253.db2.gz JDXNFJCOSFACMM-PBHICJAKSA-N 2 2 296.414 3.284 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001237466740 819757804 /nfs/dbraw/zinc/75/78/04/819757804.db2.gz XKAMQTLQXZLINY-GXFFZTMASA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001237466740 819757807 /nfs/dbraw/zinc/75/78/07/819757807.db2.gz XKAMQTLQXZLINY-GXFFZTMASA-N 2 2 285.229 3.179 20 0 CGADLP COc1ccc(C)c(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001237715998 819819046 /nfs/dbraw/zinc/81/90/46/819819046.db2.gz QJUOPGODHXFEOR-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP COc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001237715998 819819052 /nfs/dbraw/zinc/81/90/52/819819052.db2.gz QJUOPGODHXFEOR-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(CC)s2)CC1 ZINC001237829794 819856571 /nfs/dbraw/zinc/85/65/71/819856571.db2.gz KTOFYDLTBQNYCU-UHFFFAOYSA-N 2 2 295.496 3.402 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(CC)s2)CC1 ZINC001237829794 819856580 /nfs/dbraw/zinc/85/65/80/819856580.db2.gz KTOFYDLTBQNYCU-UHFFFAOYSA-N 2 2 295.496 3.402 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1)Cc1cccc2c[nH+]cn21 ZINC001238102461 819934570 /nfs/dbraw/zinc/93/45/70/819934570.db2.gz CWYQWQXMUHGGHM-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1)Cc1cccc2c[nH+]cn21 ZINC001238102461 819934578 /nfs/dbraw/zinc/93/45/78/819934578.db2.gz CWYQWQXMUHGGHM-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP CC[N@H+](Cc1cccc(OC)c1)Cc1cccc2c[nH+]cn21 ZINC001238120129 819937437 /nfs/dbraw/zinc/93/74/37/819937437.db2.gz URIFLQMFSORCOX-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP CC[N@@H+](Cc1cccc(OC)c1)Cc1cccc2c[nH+]cn21 ZINC001238120129 819937441 /nfs/dbraw/zinc/93/74/41/819937441.db2.gz URIFLQMFSORCOX-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP Cc1cnc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001238437176 819997314 /nfs/dbraw/zinc/99/73/14/819997314.db2.gz JKOKIQRDXHUSJM-INIZCTEOSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cnc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001238437176 819997318 /nfs/dbraw/zinc/99/73/18/819997318.db2.gz JKOKIQRDXHUSJM-INIZCTEOSA-N 2 2 297.402 3.055 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc(C4CC4)c(C)c3)C[C@@H]2C1 ZINC001238630798 820067675 /nfs/dbraw/zinc/06/76/75/820067675.db2.gz HPPIBNNBDUKQIW-ROUUACIJSA-N 2 2 299.462 3.041 20 0 CGADLP c1cn(Cc2ccc(-c3cccn4c[nH+]cc34)cc2)c[nH+]1 ZINC001243661979 823478582 /nfs/dbraw/zinc/47/85/82/823478582.db2.gz IKGWDQHVPSLLGP-UHFFFAOYSA-N 2 2 274.327 3.246 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC001239657789 820495083 /nfs/dbraw/zinc/49/50/83/820495083.db2.gz SCQVGSBKSIPIJG-KRWDZBQOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC001239657789 820495088 /nfs/dbraw/zinc/49/50/88/820495088.db2.gz SCQVGSBKSIPIJG-KRWDZBQOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)ccc3F)cc2)C1 ZINC001239713571 820540892 /nfs/dbraw/zinc/54/08/92/820540892.db2.gz YGXMNZALWIBOIT-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)ccc3F)cc2)C1 ZINC001239713571 820540897 /nfs/dbraw/zinc/54/08/97/820540897.db2.gz YGXMNZALWIBOIT-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001239823804 820639143 /nfs/dbraw/zinc/63/91/43/820639143.db2.gz WMHMYOCIPPZPDD-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001239823804 820639148 /nfs/dbraw/zinc/63/91/48/820639148.db2.gz WMHMYOCIPPZPDD-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP [NH3+]C1(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CCC1 ZINC001240219910 820895429 /nfs/dbraw/zinc/89/54/29/820895429.db2.gz ZUCQJTPAVAQJDR-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP C[N@@H+]1CC[C@H](c2ccc(-c3ccc4[nH+]ccn4c3)cc2)C1 ZINC001240220965 820898004 /nfs/dbraw/zinc/89/80/04/820898004.db2.gz OSIUNTJSLMICQL-KRWDZBQOSA-N 2 2 277.371 3.420 20 0 CGADLP C[N@H+]1CC[C@H](c2ccc(-c3ccc4[nH+]ccn4c3)cc2)C1 ZINC001240220965 820898015 /nfs/dbraw/zinc/89/80/15/820898015.db2.gz OSIUNTJSLMICQL-KRWDZBQOSA-N 2 2 277.371 3.420 20 0 CGADLP C/C(=C\C=C\[NH3+])C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388709 821012808 /nfs/dbraw/zinc/01/28/08/821012808.db2.gz SDATZHVJDGESCD-DOOUNCHDSA-N 2 2 254.377 3.237 20 0 CGADLP C/C(=C\C=C\[NH3+])C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388709 821012818 /nfs/dbraw/zinc/01/28/18/821012818.db2.gz SDATZHVJDGESCD-DOOUNCHDSA-N 2 2 254.377 3.237 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240732266 821286213 /nfs/dbraw/zinc/28/62/13/821286213.db2.gz GXXKACAGZUXGPS-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240732266 821286221 /nfs/dbraw/zinc/28/62/21/821286221.db2.gz GXXKACAGZUXGPS-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Nc1cc(-c2ccc(F)c(C[NH+]3CCCCC3)c2)cc[nH+]1 ZINC001241176063 821618269 /nfs/dbraw/zinc/61/82/69/821618269.db2.gz SUJXVCBGYHZZSV-UHFFFAOYSA-N 2 2 285.366 3.456 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1cnccc1/C=C/[NH+](C)C ZINC001241250919 821671929 /nfs/dbraw/zinc/67/19/29/821671929.db2.gz DHLBXXJCAUKIME-VQHVLOKHSA-N 2 2 282.391 3.050 20 0 CGADLP COc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241681856 822063382 /nfs/dbraw/zinc/06/33/82/822063382.db2.gz PFIVYDUUKMMDAH-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241681856 822063392 /nfs/dbraw/zinc/06/33/92/822063392.db2.gz PFIVYDUUKMMDAH-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)[nH+]1 ZINC001351292906 937014076 /nfs/dbraw/zinc/01/40/76/937014076.db2.gz AFJIRPKIEFBJSK-GSDQYQHOSA-N 2 2 285.391 3.069 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001351177706 937010325 /nfs/dbraw/zinc/01/03/25/937010325.db2.gz STYQMXSPFLYINK-RYUDHWBXSA-N 2 2 257.381 3.308 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CC)c2ccccc2)C1 ZINC001308475855 928528544 /nfs/dbraw/zinc/52/85/44/928528544.db2.gz WGBICBJWRGAGML-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC)c2ccccc2)C1 ZINC001308475855 928528556 /nfs/dbraw/zinc/52/85/56/928528556.db2.gz WGBICBJWRGAGML-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001117572403 931941342 /nfs/dbraw/zinc/94/13/42/931941342.db2.gz HWWUPFSUSMOLNV-QZTJIDSGSA-N 2 2 287.451 3.285 20 0 CGADLP Oc1ccc(C[C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001460939608 937554907 /nfs/dbraw/zinc/55/49/07/937554907.db2.gz VKALERFYARCXBS-KRWDZBQOSA-N 2 2 299.418 3.076 20 0 CGADLP Oc1ccc(C[C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001460939608 937554909 /nfs/dbraw/zinc/55/49/09/937554909.db2.gz VKALERFYARCXBS-KRWDZBQOSA-N 2 2 299.418 3.076 20 0 CGADLP C[C@H]1CCC[C@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)C1 ZINC001460960245 937556254 /nfs/dbraw/zinc/55/62/54/937556254.db2.gz RCWHLLNIHGRTNF-GJZGRUSLSA-N 2 2 275.440 3.426 20 0 CGADLP CCC[C@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC001461004286 937558895 /nfs/dbraw/zinc/55/88/95/937558895.db2.gz QMSBMQUBIUOWKF-QGZVFWFLSA-N 2 2 260.425 3.256 20 0 CGADLP CCCC1CCC([NH2+]C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001461260082 937573052 /nfs/dbraw/zinc/57/30/52/937573052.db2.gz BNBAIHJHDUZAMG-UYSNPLJNSA-N 2 2 284.513 3.372 20 0 CGADLP C[NH+](C)Cc1ccccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229698507 932470846 /nfs/dbraw/zinc/47/08/46/932470846.db2.gz BWTSWHMQKKJUJF-UHFFFAOYSA-N 2 2 296.414 3.011 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1NC ZINC001461877715 937602840 /nfs/dbraw/zinc/60/28/40/937602840.db2.gz UUVYJHJWQJCGEQ-SJORKVTESA-N 2 2 287.451 3.095 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1NC ZINC001461877715 937602842 /nfs/dbraw/zinc/60/28/42/937602842.db2.gz UUVYJHJWQJCGEQ-SJORKVTESA-N 2 2 287.451 3.095 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1NC ZINC001461877715 937602844 /nfs/dbraw/zinc/60/28/44/937602844.db2.gz UUVYJHJWQJCGEQ-SJORKVTESA-N 2 2 287.451 3.095 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1NC ZINC001461877715 937602846 /nfs/dbraw/zinc/60/28/46/937602846.db2.gz UUVYJHJWQJCGEQ-SJORKVTESA-N 2 2 287.451 3.095 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001462427148 937640617 /nfs/dbraw/zinc/64/06/17/937640617.db2.gz NTYDSPYZHWWHFP-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001462427148 937640620 /nfs/dbraw/zinc/64/06/20/937640620.db2.gz NTYDSPYZHWWHFP-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001307133695 932917866 /nfs/dbraw/zinc/91/78/66/932917866.db2.gz WFDVHXSQQAWPNT-CYBMUJFWSA-N 2 2 290.455 3.196 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001307133695 932917870 /nfs/dbraw/zinc/91/78/70/932917870.db2.gz WFDVHXSQQAWPNT-CYBMUJFWSA-N 2 2 290.455 3.196 20 0 CGADLP Cc1cccc2cc(C[NH2+]CCC[NH+](C)C)c(Cl)nc12 ZINC001308178960 933066079 /nfs/dbraw/zinc/06/60/79/933066079.db2.gz DOXDPGWAJUDFJM-UHFFFAOYSA-N 2 2 291.826 3.238 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001308176562 933066269 /nfs/dbraw/zinc/06/62/69/933066269.db2.gz MCBWLHRLTMVYIL-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C(C)C ZINC001308176562 933066275 /nfs/dbraw/zinc/06/62/75/933066275.db2.gz MCBWLHRLTMVYIL-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC001308298684 933091660 /nfs/dbraw/zinc/09/16/60/933091660.db2.gz VVCMENDMECNPSP-UHFFFAOYSA-N 2 2 273.355 3.121 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]C[C@H]2CCCC(C)(C)C2)CCSC1 ZINC001308298060 933091880 /nfs/dbraw/zinc/09/18/80/933091880.db2.gz NDIRFMVNWOUTBL-HOCLYGCPSA-N 2 2 284.513 3.230 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC001308449831 933112421 /nfs/dbraw/zinc/11/24/21/933112421.db2.gz BPKPGHPTDHOZBX-ZWKOTPCHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC001308449831 933112424 /nfs/dbraw/zinc/11/24/24/933112424.db2.gz BPKPGHPTDHOZBX-ZWKOTPCHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1F ZINC001308457758 933113620 /nfs/dbraw/zinc/11/36/20/933113620.db2.gz QPQVHHMBHTXLNL-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP Cc1cccc(C[NH2+]CCC[N@H+](C)CC(C)C)c1F ZINC001308457758 933113622 /nfs/dbraw/zinc/11/36/22/933113622.db2.gz QPQVHHMBHTXLNL-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC001308523174 933125052 /nfs/dbraw/zinc/12/50/52/933125052.db2.gz JJUXSWSLZYVKAO-LZLYRXPVSA-N 2 2 281.403 3.398 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@@H]1OC ZINC001308815786 933183492 /nfs/dbraw/zinc/18/34/92/933183492.db2.gz PXOPYMJJIAGWMC-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@@H]1OC ZINC001308815786 933183495 /nfs/dbraw/zinc/18/34/95/933183495.db2.gz PXOPYMJJIAGWMC-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001308908506 933202044 /nfs/dbraw/zinc/20/20/44/933202044.db2.gz WWZYOTRJBPHBKY-SJORKVTESA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001308908506 933202053 /nfs/dbraw/zinc/20/20/53/933202053.db2.gz WWZYOTRJBPHBKY-SJORKVTESA-N 2 2 282.472 3.188 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC001308982842 933220904 /nfs/dbraw/zinc/22/09/04/933220904.db2.gz HUAGAASSHAOAHS-UHFFFAOYSA-N 2 2 295.430 3.288 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001320532019 934061494 /nfs/dbraw/zinc/06/14/94/934061494.db2.gz LZIDOTIQIDQZJS-GUYCJALGSA-N 2 2 298.390 3.196 20 0 CGADLP CCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001321201326 934163113 /nfs/dbraw/zinc/16/31/13/934163113.db2.gz QQDGPXMKZJWVIV-GFCCVEGCSA-N 2 2 286.379 3.341 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366018 934493458 /nfs/dbraw/zinc/49/34/58/934493458.db2.gz UUIMIMOTEHAWJB-HOCLYGCPSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366018 934493462 /nfs/dbraw/zinc/49/34/62/934493462.db2.gz UUIMIMOTEHAWJB-HOCLYGCPSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366018 934493468 /nfs/dbraw/zinc/49/34/68/934493468.db2.gz UUIMIMOTEHAWJB-HOCLYGCPSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366018 934493470 /nfs/dbraw/zinc/49/34/70/934493470.db2.gz UUIMIMOTEHAWJB-HOCLYGCPSA-N 2 2 275.440 3.128 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001473770492 937820911 /nfs/dbraw/zinc/82/09/11/937820911.db2.gz ZITSBVCIXCGJAT-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC(C)C ZINC001330562917 935296904 /nfs/dbraw/zinc/29/69/04/935296904.db2.gz GAIQGAXISSPUKN-UHFFFAOYSA-N 2 2 286.379 3.341 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001473770492 937820906 /nfs/dbraw/zinc/82/09/06/937820906.db2.gz ZITSBVCIXCGJAT-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001473770492 937820907 /nfs/dbraw/zinc/82/09/07/937820907.db2.gz ZITSBVCIXCGJAT-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001473770492 937820909 /nfs/dbraw/zinc/82/09/09/937820909.db2.gz ZITSBVCIXCGJAT-ARFHVFGLSA-N 2 2 252.446 3.371 20 0 CGADLP COCC[C@H](C)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896524 937828295 /nfs/dbraw/zinc/82/82/95/937828295.db2.gz DHJGTYKYGWSVDS-LSDHHAIUSA-N 2 2 293.455 3.243 20 0 CGADLP COCC[C@H](C)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896524 937828297 /nfs/dbraw/zinc/82/82/97/937828297.db2.gz DHJGTYKYGWSVDS-LSDHHAIUSA-N 2 2 293.455 3.243 20 0 CGADLP CCC[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC001473913487 937829657 /nfs/dbraw/zinc/82/96/57/937829657.db2.gz GAQBLXXXQINYHQ-KRWDZBQOSA-N 2 2 271.408 3.447 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001474220974 937844743 /nfs/dbraw/zinc/84/47/43/937844743.db2.gz WEGJFYWNOFMVIS-AEFFLSMTSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CCc2ccccc2)C1 ZINC001474220974 937844745 /nfs/dbraw/zinc/84/47/45/937844745.db2.gz WEGJFYWNOFMVIS-AEFFLSMTSA-N 2 2 274.452 3.329 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001474291325 937848478 /nfs/dbraw/zinc/84/84/78/937848478.db2.gz NGADFHBJATXFDZ-MOPGFXCFSA-N 2 2 288.479 3.500 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641739 937872422 /nfs/dbraw/zinc/87/24/22/937872422.db2.gz HGSLLSRYCIOSQM-MSOLQXFVSA-N 2 2 274.452 3.390 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641739 937872424 /nfs/dbraw/zinc/87/24/24/937872424.db2.gz HGSLLSRYCIOSQM-MSOLQXFVSA-N 2 2 274.452 3.390 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001474739730 937877948 /nfs/dbraw/zinc/87/79/48/937877948.db2.gz BBUZNZMGWIEHHX-JYJNAYRXSA-N 2 2 284.488 3.144 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001474740097 937878144 /nfs/dbraw/zinc/87/81/44/937878144.db2.gz GXVYWAAXDBYLIZ-KBPBESRZSA-N 2 2 260.491 3.084 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549088008 938154946 /nfs/dbraw/zinc/15/49/46/938154946.db2.gz CIZNZMQQYQJNRR-BLLLJJGKSA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549088008 938154947 /nfs/dbraw/zinc/15/49/47/938154947.db2.gz CIZNZMQQYQJNRR-BLLLJJGKSA-N 2 2 293.480 3.001 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1C ZINC001550058017 938162515 /nfs/dbraw/zinc/16/25/15/938162515.db2.gz GIYMWVQPYCKANP-AWEZNQCLSA-N 2 2 289.448 3.478 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1C ZINC001550058017 938162516 /nfs/dbraw/zinc/16/25/16/938162516.db2.gz GIYMWVQPYCKANP-AWEZNQCLSA-N 2 2 289.448 3.478 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001550244039 938164839 /nfs/dbraw/zinc/16/48/39/938164839.db2.gz QPLGQGKHZIXXBP-NCXUSEDFSA-N 2 2 296.389 3.108 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001550244039 938164840 /nfs/dbraw/zinc/16/48/40/938164840.db2.gz QPLGQGKHZIXXBP-NCXUSEDFSA-N 2 2 296.389 3.108 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC001550514916 938166982 /nfs/dbraw/zinc/16/69/82/938166982.db2.gz ANVPCNYQWXSRHC-ZIAGYGMSSA-N 2 2 284.394 3.171 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1 ZINC001550514916 938166983 /nfs/dbraw/zinc/16/69/83/938166983.db2.gz ANVPCNYQWXSRHC-ZIAGYGMSSA-N 2 2 284.394 3.171 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001551403691 938181786 /nfs/dbraw/zinc/18/17/86/938181786.db2.gz UXCCIGYSEHTCBQ-OQIJWPOYSA-N 2 2 278.399 3.004 20 0 CGADLP CCc1cc(NC(C)(C)CCC[NH+](C)C)nc(CC)[nH+]1 ZINC001559194736 938222047 /nfs/dbraw/zinc/22/20/47/938222047.db2.gz DSBINBJMMGPUNQ-UHFFFAOYSA-N 2 2 278.444 3.134 20 0 CGADLP CC(C)C([NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001559685978 938232845 /nfs/dbraw/zinc/23/28/45/938232845.db2.gz OWYFRLCYSRTMOU-GJZGRUSLSA-N 2 2 254.462 3.235 20 0 CGADLP CC(C)(C[NH2+]CCCNc1cccc[nH+]1)c1ccccc1 ZINC001560365170 938255623 /nfs/dbraw/zinc/25/56/23/938255623.db2.gz OFUGSTWAANDSCW-UHFFFAOYSA-N 2 2 283.419 3.451 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929141 938284381 /nfs/dbraw/zinc/28/43/81/938284381.db2.gz OBAAABREPIIUAD-QLFBSQMISA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929141 938284383 /nfs/dbraw/zinc/28/43/83/938284383.db2.gz OBAAABREPIIUAD-QLFBSQMISA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001576157417 960475007 /nfs/dbraw/zinc/47/50/07/960475007.db2.gz QIUXVZGDFMSFFD-WCQYABFASA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001576157417 960475018 /nfs/dbraw/zinc/47/50/18/960475018.db2.gz QIUXVZGDFMSFFD-WCQYABFASA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001576590137 962474329 /nfs/dbraw/zinc/47/43/29/962474329.db2.gz YZUFVCGZSUTBES-DRRXZNNHSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)C1 ZINC001576590137 962474342 /nfs/dbraw/zinc/47/43/42/962474342.db2.gz YZUFVCGZSUTBES-DRRXZNNHSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C[NH2+]1 ZINC001576671001 962484928 /nfs/dbraw/zinc/48/49/28/962484928.db2.gz NQFZFWIXNZTKII-QWHCGFSZSA-N 2 2 294.389 3.117 20 0 CGADLP CCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC001577435346 962547902 /nfs/dbraw/zinc/54/79/02/962547902.db2.gz YGGFGDADNQQSDL-HZPDHXFCSA-N 2 2 264.388 3.051 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCC12CC2 ZINC001578275142 962581743 /nfs/dbraw/zinc/58/17/43/962581743.db2.gz AUIFFECGJXKGDF-JKSUJKDBSA-N 2 2 258.409 3.171 20 0 CGADLP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001578676615 962592851 /nfs/dbraw/zinc/59/28/51/962592851.db2.gz HMCDTQAEBXCFSQ-CQSZACIVSA-N 2 2 296.842 3.313 20 0 CGADLP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1Cl ZINC001578676615 962592865 /nfs/dbraw/zinc/59/28/65/962592865.db2.gz HMCDTQAEBXCFSQ-CQSZACIVSA-N 2 2 296.842 3.313 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294952575 199268069 /nfs/dbraw/zinc/26/80/69/199268069.db2.gz CEMAHDGWNSZLGL-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294952575 199268071 /nfs/dbraw/zinc/26/80/71/199268071.db2.gz CEMAHDGWNSZLGL-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124450092 187137919 /nfs/dbraw/zinc/13/79/19/187137919.db2.gz KJUWHXSZXBSENS-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124450092 187137920 /nfs/dbraw/zinc/13/79/20/187137920.db2.gz KJUWHXSZXBSENS-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cncc(Cl)c1 ZINC000621775399 349585452 /nfs/dbraw/zinc/58/54/52/349585452.db2.gz OCDTXLOWVHCJMA-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cncc(Cl)c1 ZINC000621775399 349585454 /nfs/dbraw/zinc/58/54/54/349585454.db2.gz OCDTXLOWVHCJMA-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP CC1(c2ccccc2)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000621734764 349574341 /nfs/dbraw/zinc/57/43/41/349574341.db2.gz VRRUFGKVBGKGFL-UHFFFAOYSA-N 2 2 277.371 3.108 20 0 CGADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750670 398282027 /nfs/dbraw/zinc/28/20/27/398282027.db2.gz SGURKJCHFUQWEF-RDJZCZTQSA-N 2 2 271.408 3.435 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986534 214344914 /nfs/dbraw/zinc/34/49/14/214344914.db2.gz NZRCKYCPQFCQHW-HZPDHXFCSA-N 2 2 270.436 3.226 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000337997162 214351095 /nfs/dbraw/zinc/35/10/95/214351095.db2.gz NLMPEPDSUUZIFU-IPMKNSEASA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2)cc1 ZINC000337997162 214351097 /nfs/dbraw/zinc/35/10/97/214351097.db2.gz NLMPEPDSUUZIFU-IPMKNSEASA-N 2 2 284.447 3.429 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423457089 529569063 /nfs/dbraw/zinc/56/90/63/529569063.db2.gz FIMOFFOJZIUDDR-ZIAGYGMSSA-N 2 2 285.391 3.262 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423458735 529569389 /nfs/dbraw/zinc/56/93/89/529569389.db2.gz HDOUJVBRBUWLIG-AEFFLSMTSA-N 2 2 284.403 3.112 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccncc1 ZINC000423507115 529611473 /nfs/dbraw/zinc/61/14/73/529611473.db2.gz PQLVAWHDLRCSRD-ZWKOTPCHSA-N 2 2 283.419 3.385 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000423513072 529611684 /nfs/dbraw/zinc/61/16/84/529611684.db2.gz UZZSVVDNFJSFPO-XIKOKIGWSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1ccc(CC[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000623015293 349751524 /nfs/dbraw/zinc/75/15/24/349751524.db2.gz WAUXZNPWZSGMBF-UHFFFAOYSA-N 2 2 254.377 3.073 20 0 CGADLP Cc1sccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089358 349759087 /nfs/dbraw/zinc/75/90/87/349759087.db2.gz DKWPTRGYBOHIPK-UHFFFAOYSA-N 2 2 288.407 3.123 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337593 349781833 /nfs/dbraw/zinc/78/18/33/349781833.db2.gz PYBDXQAOWJRMCG-DGCLKSJQSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000623337593 349781834 /nfs/dbraw/zinc/78/18/34/349781834.db2.gz PYBDXQAOWJRMCG-DGCLKSJQSA-N 2 2 282.378 3.488 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423513677 529616891 /nfs/dbraw/zinc/61/68/91/529616891.db2.gz VPAUBDXDKFFHHQ-RHSMWYFYSA-N 2 2 283.419 3.303 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423519085 529616948 /nfs/dbraw/zinc/61/69/48/529616948.db2.gz ZUSFZOHPHHQAQF-FZKQIMNGSA-N 2 2 284.403 3.305 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cc(Cl)ccc1OC ZINC000423435941 529665777 /nfs/dbraw/zinc/66/57/77/529665777.db2.gz FBACLQRBPDXLJW-BREBYQMCSA-N 2 2 270.804 3.125 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424377 349804632 /nfs/dbraw/zinc/80/46/32/349804632.db2.gz PAGWNGREHCBYBF-TZMCWYRMSA-N 2 2 276.449 3.296 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000335968072 136384586 /nfs/dbraw/zinc/38/45/86/136384586.db2.gz LCPXHISSRDTNGM-SMDDNHRTSA-N 2 2 290.798 3.327 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868024 346943524 /nfs/dbraw/zinc/94/35/24/346943524.db2.gz VTXVLAZRNDDCSM-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868024 346943528 /nfs/dbraw/zinc/94/35/28/346943528.db2.gz VTXVLAZRNDDCSM-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868847 346943938 /nfs/dbraw/zinc/94/39/38/346943938.db2.gz GPKZRONDSQPPOD-KGLIPLIRSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868847 346943942 /nfs/dbraw/zinc/94/39/42/346943942.db2.gz GPKZRONDSQPPOD-KGLIPLIRSA-N 2 2 273.355 3.420 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000423261295 529721999 /nfs/dbraw/zinc/72/19/99/529721999.db2.gz JLQCEOOTSUROAF-WFASDCNBSA-N 2 2 264.413 3.400 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000364453400 529722575 /nfs/dbraw/zinc/72/25/75/529722575.db2.gz ZYZDMKARVSWDFM-MELADBBJSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000364453400 529722577 /nfs/dbraw/zinc/72/25/77/529722577.db2.gz ZYZDMKARVSWDFM-MELADBBJSA-N 2 2 262.397 3.119 20 0 CGADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000295007602 199298048 /nfs/dbraw/zinc/29/80/48/199298048.db2.gz ZEKWDRDRKXHRNQ-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000295007602 199298049 /nfs/dbraw/zinc/29/80/49/199298049.db2.gz ZEKWDRDRKXHRNQ-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1F ZINC000295007602 199298051 /nfs/dbraw/zinc/29/80/51/199298051.db2.gz ZEKWDRDRKXHRNQ-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1F ZINC000295007602 199298052 /nfs/dbraw/zinc/29/80/52/199298052.db2.gz ZEKWDRDRKXHRNQ-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c[nH+]1 ZINC000351322965 219090906 /nfs/dbraw/zinc/09/09/06/219090906.db2.gz DKBOPWPQJWPBED-MSOLQXFVSA-N 2 2 298.434 3.293 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505937 349823102 /nfs/dbraw/zinc/82/31/02/349823102.db2.gz XFIUKQJBMZSIRI-LBPRGKRZSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505937 349823105 /nfs/dbraw/zinc/82/31/05/349823105.db2.gz XFIUKQJBMZSIRI-LBPRGKRZSA-N 2 2 296.842 3.311 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481962862 282960700 /nfs/dbraw/zinc/96/07/00/282960700.db2.gz QNSXARWAXQFJDF-MSOLQXFVSA-N 2 2 292.467 3.393 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000623786506 349883917 /nfs/dbraw/zinc/88/39/17/349883917.db2.gz VFDSDPKNKCGXDQ-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000623786506 349883918 /nfs/dbraw/zinc/88/39/18/349883918.db2.gz VFDSDPKNKCGXDQ-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP C[NH2+]CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423223946 529979090 /nfs/dbraw/zinc/97/90/90/529979090.db2.gz IAUYLDJKLIJHBZ-QGZVFWFLSA-N 2 2 290.357 3.058 20 0 CGADLP C[NH2+]CC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423249233 529979156 /nfs/dbraw/zinc/97/91/56/529979156.db2.gz SAEFDLXYWOKJLR-OAHLLOKOSA-N 2 2 294.851 3.494 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000623922603 349916238 /nfs/dbraw/zinc/91/62/38/349916238.db2.gz DZQSZPYEEVLIKX-LSDHHAIUSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000623922603 349916242 /nfs/dbraw/zinc/91/62/42/349916242.db2.gz DZQSZPYEEVLIKX-LSDHHAIUSA-N 2 2 295.496 3.470 20 0 CGADLP FC(F)Oc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353287 345009410 /nfs/dbraw/zinc/00/94/10/345009410.db2.gz OAWJUBDROCYLTE-UHFFFAOYSA-N 2 2 295.333 3.055 20 0 CGADLP c1cn(CCCC[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000045106409 345021257 /nfs/dbraw/zinc/02/12/57/345021257.db2.gz MYOFDFNDXCIDGQ-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000127370921 187300211 /nfs/dbraw/zinc/30/02/11/187300211.db2.gz DCIYDMXXQCFPCY-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000127370921 187300213 /nfs/dbraw/zinc/30/02/13/187300213.db2.gz DCIYDMXXQCFPCY-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP CC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067249474 345318072 /nfs/dbraw/zinc/31/80/72/345318072.db2.gz DNVNMXVAZFMVLE-UHFFFAOYSA-N 2 2 261.344 3.147 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623991281 349939042 /nfs/dbraw/zinc/93/90/42/349939042.db2.gz CLKDBKZAMZJVSA-ULQDDVLXSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073101 345829786 /nfs/dbraw/zinc/82/97/86/345829786.db2.gz HOBVLZRPOLIMBP-LBPRGKRZSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073101 345829788 /nfs/dbraw/zinc/82/97/88/345829788.db2.gz HOBVLZRPOLIMBP-LBPRGKRZSA-N 2 2 261.394 3.159 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071314 345830647 /nfs/dbraw/zinc/83/06/47/345830647.db2.gz YMNHPZWMDAKHSI-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071314 345830651 /nfs/dbraw/zinc/83/06/51/345830651.db2.gz YMNHPZWMDAKHSI-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596973 345884524 /nfs/dbraw/zinc/88/45/24/345884524.db2.gz AJQBZJBARYGHQE-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596973 345884527 /nfs/dbraw/zinc/88/45/27/345884527.db2.gz AJQBZJBARYGHQE-OAHLLOKOSA-N 2 2 276.399 3.052 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000112376026 345954667 /nfs/dbraw/zinc/95/46/67/345954667.db2.gz NMLIRMBNWAVTAH-CYBMUJFWSA-N 2 2 257.381 3.397 20 0 CGADLP c1c2ccccc2oc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000178528253 232392585 /nfs/dbraw/zinc/39/25/85/232392585.db2.gz ALMZEWIPBFHDBR-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000237476422 346346385 /nfs/dbraw/zinc/34/63/85/346346385.db2.gz SEUFEJWPKJWXDF-GOEBONIOSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000237476422 346346387 /nfs/dbraw/zinc/34/63/87/346346387.db2.gz SEUFEJWPKJWXDF-GOEBONIOSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCC1 ZINC000245849205 346356239 /nfs/dbraw/zinc/35/62/39/346356239.db2.gz GBOAOKVDGSIANI-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCC1 ZINC000245849205 346356242 /nfs/dbraw/zinc/35/62/42/346356242.db2.gz GBOAOKVDGSIANI-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000237086783 346343704 /nfs/dbraw/zinc/34/37/04/346343704.db2.gz IAYVPRRVKXEPIV-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000237086783 346343705 /nfs/dbraw/zinc/34/37/05/346343705.db2.gz IAYVPRRVKXEPIV-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351730439 219189606 /nfs/dbraw/zinc/18/96/06/219189606.db2.gz OMXVVAXTWHEESZ-HNNXBMFYSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351730439 219189609 /nfs/dbraw/zinc/18/96/09/219189609.db2.gz OMXVVAXTWHEESZ-HNNXBMFYSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000395179003 346578249 /nfs/dbraw/zinc/57/82/49/346578249.db2.gz OVMNBNGMCURHTP-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000395179003 346578253 /nfs/dbraw/zinc/57/82/53/346578253.db2.gz OVMNBNGMCURHTP-FZMZJTMJSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H](CSCCF)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000595004505 347253693 /nfs/dbraw/zinc/25/36/93/347253693.db2.gz ANOWEKJWJNTWJW-GFCCVEGCSA-N 2 2 295.427 3.176 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000595024620 347260437 /nfs/dbraw/zinc/26/04/37/347260437.db2.gz BUHQXRZURFDGMC-HUUCEWRRSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000595024620 347260441 /nfs/dbraw/zinc/26/04/41/347260441.db2.gz BUHQXRZURFDGMC-HUUCEWRRSA-N 2 2 298.471 3.188 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000624121745 349980571 /nfs/dbraw/zinc/98/05/71/349980571.db2.gz CEOSLLHTOXVPRO-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624121745 349980575 /nfs/dbraw/zinc/98/05/75/349980575.db2.gz CEOSLLHTOXVPRO-SMDDNHRTSA-N 2 2 281.469 3.142 20 0 CGADLP c1cn2c(cccc2C[NH2+]Cc2coc3ccccc23)[nH+]1 ZINC000339411940 215154998 /nfs/dbraw/zinc/15/49/98/215154998.db2.gz BRFRWYGXIJAQBD-UHFFFAOYSA-N 2 2 277.327 3.370 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428781 215161368 /nfs/dbraw/zinc/16/13/68/215161368.db2.gz OENSYPZJFLNVDK-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428781 215161369 /nfs/dbraw/zinc/16/13/69/215161369.db2.gz OENSYPZJFLNVDK-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428781 215161371 /nfs/dbraw/zinc/16/13/71/215161371.db2.gz OENSYPZJFLNVDK-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000339428781 215161373 /nfs/dbraw/zinc/16/13/73/215161373.db2.gz OENSYPZJFLNVDK-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431710 215164286 /nfs/dbraw/zinc/16/42/86/215164286.db2.gz ACSBDTLTDHWUEU-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431710 215164288 /nfs/dbraw/zinc/16/42/88/215164288.db2.gz ACSBDTLTDHWUEU-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431710 215164291 /nfs/dbraw/zinc/16/42/91/215164291.db2.gz ACSBDTLTDHWUEU-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431710 215164295 /nfs/dbraw/zinc/16/42/95/215164295.db2.gz ACSBDTLTDHWUEU-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378114 233119561 /nfs/dbraw/zinc/11/95/61/233119561.db2.gz JRDUKVWWYIRQKY-VCBZYWHSSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378114 233119563 /nfs/dbraw/zinc/11/95/63/233119563.db2.gz JRDUKVWWYIRQKY-VCBZYWHSSA-N 2 2 295.430 3.349 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625199624 350139997 /nfs/dbraw/zinc/13/99/97/350139997.db2.gz IDCICVKXXOYGBF-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625199624 350140000 /nfs/dbraw/zinc/14/00/00/350140000.db2.gz IDCICVKXXOYGBF-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000625435465 350171159 /nfs/dbraw/zinc/17/11/59/350171159.db2.gz RTICIPCNBRKEKT-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP Clc1cccc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000625435465 350171163 /nfs/dbraw/zinc/17/11/63/350171163.db2.gz RTICIPCNBRKEKT-UHFFFAOYSA-N 2 2 296.201 3.317 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590410 233340314 /nfs/dbraw/zinc/34/03/14/233340314.db2.gz SUYIGPUJLUUIHO-YJBOKZPZSA-N 2 2 295.430 3.394 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)[nH]1 ZINC000359590410 233340317 /nfs/dbraw/zinc/34/03/17/233340317.db2.gz SUYIGPUJLUUIHO-YJBOKZPZSA-N 2 2 295.430 3.394 20 0 CGADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166939 350419133 /nfs/dbraw/zinc/41/91/33/350419133.db2.gz YPCYYBJZIDOTAM-LSDHHAIUSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166939 350419136 /nfs/dbraw/zinc/41/91/36/350419136.db2.gz YPCYYBJZIDOTAM-LSDHHAIUSA-N 2 2 279.453 3.114 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628203566 350439235 /nfs/dbraw/zinc/43/92/35/350439235.db2.gz NHQZFVCSYDCHCN-OKILXGFUSA-N 2 2 291.439 3.010 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628203566 350439236 /nfs/dbraw/zinc/43/92/36/350439236.db2.gz NHQZFVCSYDCHCN-OKILXGFUSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280593 350476424 /nfs/dbraw/zinc/47/64/24/350476424.db2.gz WUUSOIQFYYVKLM-WBVHZDCISA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280593 350476427 /nfs/dbraw/zinc/47/64/27/350476427.db2.gz WUUSOIQFYYVKLM-WBVHZDCISA-N 2 2 283.419 3.322 20 0 CGADLP C/C=C\C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495345 350561436 /nfs/dbraw/zinc/56/14/36/350561436.db2.gz OORSAJCMTDNHJJ-PYLYLYNFSA-N 2 2 259.397 3.008 20 0 CGADLP C/C=C\C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495345 350561439 /nfs/dbraw/zinc/56/14/39/350561439.db2.gz OORSAJCMTDNHJJ-PYLYLYNFSA-N 2 2 259.397 3.008 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1OC(F)F ZINC000629526403 350702194 /nfs/dbraw/zinc/70/21/94/350702194.db2.gz STECJYFWYRWBHQ-HZSPNIEDSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000629537621 350705682 /nfs/dbraw/zinc/70/56/82/350705682.db2.gz LMSXBQVPLJQNEF-SCVCMEIPSA-N 2 2 270.779 3.270 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCCO2 ZINC000629546602 350710174 /nfs/dbraw/zinc/71/01/74/350710174.db2.gz UFUKEMNRNODTHP-GLQYFDAESA-N 2 2 294.826 3.202 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629548887 350711397 /nfs/dbraw/zinc/71/13/97/350711397.db2.gz RQRFCVLELYTXFN-GRDNDAEWSA-N 2 2 276.424 3.122 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C[NH2+]1 ZINC000629393515 350687713 /nfs/dbraw/zinc/68/77/13/350687713.db2.gz BIRSLNMYGXSQNK-DGCLKSJQSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[NH2+]1 ZINC000629395149 350688187 /nfs/dbraw/zinc/68/81/87/350688187.db2.gz AQPYSJPDAQUVGY-JOYOIKCWSA-N 2 2 290.304 3.075 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629394813 350688260 /nfs/dbraw/zinc/68/82/60/350688260.db2.gz MNRYBVCMBXEANX-GDBMZVCRSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C[NH2+]1 ZINC000629396573 350688563 /nfs/dbraw/zinc/68/85/63/350688563.db2.gz MWXRKXNYGHUURS-HOCLYGCPSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1Oc1cccnc1 ZINC000629408545 350689481 /nfs/dbraw/zinc/68/94/81/350689481.db2.gz WOEPVLAWWLOROA-WMLDXEAASA-N 2 2 297.402 3.022 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000629653500 350731279 /nfs/dbraw/zinc/73/12/79/350731279.db2.gz IJNOPSWRRXLQTQ-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000629653500 350731280 /nfs/dbraw/zinc/73/12/80/350731280.db2.gz IJNOPSWRRXLQTQ-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP Cc1[nH]cc(-c2cccc(OCC[NH+]3CCCCC3)c2)[nH+]1 ZINC000629697491 350741295 /nfs/dbraw/zinc/74/12/95/350741295.db2.gz KFMVTILPMRYWQF-UHFFFAOYSA-N 2 2 285.391 3.250 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(C[NH+](C)C)c(F)c2)n1C ZINC000630052917 350802215 /nfs/dbraw/zinc/80/22/15/350802215.db2.gz YBNJERGSHNZQNW-UHFFFAOYSA-N 2 2 275.371 3.411 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(F)c(C[NH+](C)C)c2)n1C ZINC000630053544 350802996 /nfs/dbraw/zinc/80/29/96/350802996.db2.gz QWRVPYLYTZRRNL-UHFFFAOYSA-N 2 2 275.371 3.411 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)ccn1 ZINC000631571794 351071650 /nfs/dbraw/zinc/07/16/50/351071650.db2.gz IOPBELQUXNMEAF-MRXNPFEDSA-N 2 2 286.423 3.498 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCCc3ncccc32)[nH+]c1 ZINC000631574981 351073050 /nfs/dbraw/zinc/07/30/50/351073050.db2.gz IYNLAAXFNCPILD-MRXNPFEDSA-N 2 2 296.418 3.336 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000631832241 351149676 /nfs/dbraw/zinc/14/96/76/351149676.db2.gz BYIQXZJIZMMDGJ-HNNXBMFYSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000631832241 351149679 /nfs/dbraw/zinc/14/96/79/351149679.db2.gz BYIQXZJIZMMDGJ-HNNXBMFYSA-N 2 2 285.391 3.045 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000631887274 351151764 /nfs/dbraw/zinc/15/17/64/351151764.db2.gz QAUYMQGFSFMYQP-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000631887274 351151766 /nfs/dbraw/zinc/15/17/66/351151766.db2.gz QAUYMQGFSFMYQP-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634734135 351580134 /nfs/dbraw/zinc/58/01/34/351580134.db2.gz XVIVKHPBPPHZJD-CJNGLKHVSA-N 2 2 291.464 3.032 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)s1 ZINC000635011444 351629223 /nfs/dbraw/zinc/62/92/23/351629223.db2.gz NXGMYNQDHCLTMZ-GXFFZTMASA-N 2 2 281.469 3.189 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000124048116 187120067 /nfs/dbraw/zinc/12/00/67/187120067.db2.gz WVOZQLGCTAYCME-GJZGRUSLSA-N 2 2 284.407 3.183 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123276 198172179 /nfs/dbraw/zinc/17/21/79/198172179.db2.gz KMDMULMECZVDGO-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123276 198172180 /nfs/dbraw/zinc/17/21/80/198172180.db2.gz KMDMULMECZVDGO-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123276 198172181 /nfs/dbraw/zinc/17/21/81/198172181.db2.gz KMDMULMECZVDGO-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)C1 ZINC000292123276 198172182 /nfs/dbraw/zinc/17/21/82/198172182.db2.gz KMDMULMECZVDGO-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000367699291 234243176 /nfs/dbraw/zinc/24/31/76/234243176.db2.gz HNXKKXRQJQXXFN-FAAWYNLUSA-N 2 2 285.366 3.062 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000368021311 234270400 /nfs/dbraw/zinc/27/04/00/234270400.db2.gz YOCHXVPDJMUKTJ-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000368021311 234270401 /nfs/dbraw/zinc/27/04/01/234270401.db2.gz YOCHXVPDJMUKTJ-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151520093 187966703 /nfs/dbraw/zinc/96/67/03/187966703.db2.gz UQMLDOAGFWZYJM-KBPBESRZSA-N 2 2 284.407 3.182 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154602732 188152232 /nfs/dbraw/zinc/15/22/32/188152232.db2.gz PJRWSPFGXBOCJT-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154602732 188152234 /nfs/dbraw/zinc/15/22/34/188152234.db2.gz PJRWSPFGXBOCJT-HOCLYGCPSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000154861573 188165947 /nfs/dbraw/zinc/16/59/47/188165947.db2.gz QLUFWWOUACZBKH-RHSMWYFYSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCc4c3cccc4O)n2c1 ZINC000156559200 188269607 /nfs/dbraw/zinc/26/96/07/188269607.db2.gz CWQKUEMUEJRRTO-INIZCTEOSA-N 2 2 293.370 3.125 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000157427396 188317071 /nfs/dbraw/zinc/31/70/71/188317071.db2.gz MAYMPMORSGPRHI-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000157427396 188317073 /nfs/dbraw/zinc/31/70/73/188317073.db2.gz MAYMPMORSGPRHI-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000353622181 283003720 /nfs/dbraw/zinc/00/37/20/283003720.db2.gz LYNDYPJRENTDGV-ZFWWWQNUSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000353622181 283003722 /nfs/dbraw/zinc/00/37/22/283003722.db2.gz LYNDYPJRENTDGV-ZFWWWQNUSA-N 2 2 285.366 3.073 20 0 CGADLP c1c[nH+]c(COCc2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000412996160 235237838 /nfs/dbraw/zinc/23/78/38/235237838.db2.gz DRUSZEJQBVJLJA-UHFFFAOYSA-N 2 2 285.391 3.112 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC4(CCC4)C3)cc2)c[nH+]1 ZINC000123588748 138368652 /nfs/dbraw/zinc/36/86/52/138368652.db2.gz LWFLYDHCNBYFPK-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC4(CCC4)C3)cc2)c[nH+]1 ZINC000123588748 138368653 /nfs/dbraw/zinc/36/86/53/138368653.db2.gz LWFLYDHCNBYFPK-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000110513435 138363312 /nfs/dbraw/zinc/36/33/12/138363312.db2.gz WXCKTQWEKQGWMO-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000110513435 138363313 /nfs/dbraw/zinc/36/33/13/138363313.db2.gz WXCKTQWEKQGWMO-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP COc1ccccc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000124671215 138376604 /nfs/dbraw/zinc/37/66/04/138376604.db2.gz QUUPBPXMPSRUTC-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP COc1ccccc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000124671215 138376606 /nfs/dbraw/zinc/37/66/06/138376606.db2.gz QUUPBPXMPSRUTC-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cscn3)CC2)C1 ZINC000127339533 138388987 /nfs/dbraw/zinc/38/89/87/138388987.db2.gz CTEANQPXKJZOSU-CJNGLKHVSA-N 2 2 293.480 3.276 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423237592 236005352 /nfs/dbraw/zinc/00/53/52/236005352.db2.gz PZALLSXEQXIMBP-ZWNOBZJWSA-N 2 2 278.783 3.489 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000423237716 236005489 /nfs/dbraw/zinc/00/54/89/236005489.db2.gz IMAYAIAXSMVQEF-AEFFLSMTSA-N 2 2 281.403 3.223 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000423236545 236005674 /nfs/dbraw/zinc/00/56/74/236005674.db2.gz HPNAVZOFZRQIAC-HOTGVXAUSA-N 2 2 288.341 3.242 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252562 236009820 /nfs/dbraw/zinc/00/98/20/236009820.db2.gz XPWFPWSHYGTRKW-WMLDXEAASA-N 2 2 284.403 3.436 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423273041 236017745 /nfs/dbraw/zinc/01/77/45/236017745.db2.gz KFEYEWJJNBFMBF-YPMHNXCESA-N 2 2 286.366 3.230 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423320167 236037186 /nfs/dbraw/zinc/03/71/86/236037186.db2.gz MBSVJBIAQWXQMC-SMDDNHRTSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]1 ZINC000423384796 236058506 /nfs/dbraw/zinc/05/85/06/236058506.db2.gz QNDYFDWWJIFWHR-RPVQJOFSSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423363424 236050541 /nfs/dbraw/zinc/05/05/41/236050541.db2.gz IWGWAMPHYHAUQK-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP Cc1cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423915814 236112104 /nfs/dbraw/zinc/11/21/04/236112104.db2.gz WNEZJISGXMWGHL-QWHCGFSZSA-N 2 2 299.374 3.104 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(F)c1 ZINC000425343965 236232917 /nfs/dbraw/zinc/23/29/17/236232917.db2.gz SSSCSCJBFHUSTN-CYBMUJFWSA-N 2 2 282.378 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(F)c1 ZINC000425343965 236232919 /nfs/dbraw/zinc/23/29/19/236232919.db2.gz SSSCSCJBFHUSTN-CYBMUJFWSA-N 2 2 282.378 3.189 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856716 236350050 /nfs/dbraw/zinc/35/00/50/236350050.db2.gz XEQQPJBDCFESAL-FHSNZYRGSA-N 2 2 299.393 3.250 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427856719 236350811 /nfs/dbraw/zinc/35/08/11/236350811.db2.gz XEQQPJBDCFESAL-VFVRVIDISA-N 2 2 299.393 3.250 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000428278637 236388046 /nfs/dbraw/zinc/38/80/46/236388046.db2.gz WFWLULRMNFUKMP-UHFFFAOYSA-N 2 2 292.386 3.112 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000296942672 200041744 /nfs/dbraw/zinc/04/17/44/200041744.db2.gz QMMGHUSVGCCRQE-CJNGLKHVSA-N 2 2 284.407 3.371 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174939 189034045 /nfs/dbraw/zinc/03/40/45/189034045.db2.gz KLORQVYAXOHJMV-WFASDCNBSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174939 189034046 /nfs/dbraw/zinc/03/40/46/189034046.db2.gz KLORQVYAXOHJMV-WFASDCNBSA-N 2 2 273.380 3.295 20 0 CGADLP CC(C)C[NH+](Cc1ccc(-n2cc[nH+]c2)nc1)CC(C)C ZINC000177252986 189039951 /nfs/dbraw/zinc/03/99/51/189039951.db2.gz XDQHVMZPSCJMGX-UHFFFAOYSA-N 2 2 286.423 3.381 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000177275821 189041161 /nfs/dbraw/zinc/04/11/61/189041161.db2.gz VBSQICWLNMFWLU-UHFFFAOYSA-N 2 2 284.407 3.420 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000177275821 189041162 /nfs/dbraw/zinc/04/11/62/189041162.db2.gz VBSQICWLNMFWLU-UHFFFAOYSA-N 2 2 284.407 3.420 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CCC1 ZINC000178405674 189113626 /nfs/dbraw/zinc/11/36/26/189113626.db2.gz FVSUJMFANISXCL-GFCCVEGCSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178641494 189133819 /nfs/dbraw/zinc/13/38/19/189133819.db2.gz LRHIOMXTSFCBEZ-RISCZKNCSA-N 2 2 290.382 3.453 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178641494 189133820 /nfs/dbraw/zinc/13/38/20/189133820.db2.gz LRHIOMXTSFCBEZ-RISCZKNCSA-N 2 2 290.382 3.453 20 0 CGADLP COc1ccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)cc1C ZINC000179960146 189229826 /nfs/dbraw/zinc/22/98/26/189229826.db2.gz TZWZLKJWAACQME-UHFFFAOYSA-N 2 2 295.386 3.283 20 0 CGADLP COc1ccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1C ZINC000179960146 189229827 /nfs/dbraw/zinc/22/98/27/189229827.db2.gz TZWZLKJWAACQME-UHFFFAOYSA-N 2 2 295.386 3.283 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180271596 189248059 /nfs/dbraw/zinc/24/80/59/189248059.db2.gz MKMARYLKOFAPTC-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000180271596 189248060 /nfs/dbraw/zinc/24/80/60/189248060.db2.gz MKMARYLKOFAPTC-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000181970031 189311268 /nfs/dbraw/zinc/31/12/68/189311268.db2.gz XIYBNIJYKLWFTE-UHFFFAOYSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc[nH+]1 ZINC000301512126 201039189 /nfs/dbraw/zinc/03/91/89/201039189.db2.gz FKNZEGQQCYNNHY-YOEHRIQHSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc[nH+]1 ZINC000301512126 201039192 /nfs/dbraw/zinc/03/91/92/201039192.db2.gz FKNZEGQQCYNNHY-YOEHRIQHSA-N 2 2 296.418 3.108 20 0 CGADLP CC1CC[NH+](CCCNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000301536924 201053809 /nfs/dbraw/zinc/05/38/09/201053809.db2.gz RAGCMFCRCPSPSD-UHFFFAOYSA-N 2 2 290.455 3.308 20 0 CGADLP Cc1ccc(CCNc2cc(C)[nH+]c(C(C)C)n2)c[nH+]1 ZINC000301541546 201059104 /nfs/dbraw/zinc/05/91/04/201059104.db2.gz CGQQOPXUAPKPAV-UHFFFAOYSA-N 2 2 270.380 3.266 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182615341 189329237 /nfs/dbraw/zinc/32/92/37/189329237.db2.gz MAZFGFBGGNDCQF-UHFFFAOYSA-N 2 2 257.381 3.185 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182615341 189329238 /nfs/dbraw/zinc/32/92/38/189329238.db2.gz MAZFGFBGGNDCQF-UHFFFAOYSA-N 2 2 257.381 3.185 20 0 CGADLP Cc1ccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1 ZINC000301630931 201106758 /nfs/dbraw/zinc/10/67/58/201106758.db2.gz BMUGXYPYGJRAOU-QGZVFWFLSA-N 2 2 298.434 3.425 20 0 CGADLP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000449061400 239149043 /nfs/dbraw/zinc/14/90/43/239149043.db2.gz ILVFHCOEMGFWMV-ZBFHGGJFSA-N 2 2 289.810 3.462 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000449331106 239319217 /nfs/dbraw/zinc/31/92/17/239319217.db2.gz XMEUJJWPSZUCRZ-GPMSIDNRSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000449331106 239319222 /nfs/dbraw/zinc/31/92/22/239319222.db2.gz XMEUJJWPSZUCRZ-GPMSIDNRSA-N 2 2 298.430 3.463 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119908769 370722482 /nfs/dbraw/zinc/72/24/82/370722482.db2.gz ZDOIQNDWDHVFHB-ZNMIVQPWSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119908769 370722489 /nfs/dbraw/zinc/72/24/89/370722489.db2.gz ZDOIQNDWDHVFHB-ZNMIVQPWSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450910021 240150793 /nfs/dbraw/zinc/15/07/93/240150793.db2.gz XFSXCLSQRODMQP-UHFFFAOYSA-N 2 2 271.408 3.012 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000451963787 240387616 /nfs/dbraw/zinc/38/76/16/240387616.db2.gz AAFJKYABSQOPSE-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000451963787 240387620 /nfs/dbraw/zinc/38/76/20/240387620.db2.gz AAFJKYABSQOPSE-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398195 242098539 /nfs/dbraw/zinc/09/85/39/242098539.db2.gz AHIUTUMCYFXVNJ-RDTXWAMCSA-N 2 2 299.418 3.054 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398195 242098544 /nfs/dbraw/zinc/09/85/44/242098544.db2.gz AHIUTUMCYFXVNJ-RDTXWAMCSA-N 2 2 299.418 3.054 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459662084 242166955 /nfs/dbraw/zinc/16/69/55/242166955.db2.gz NBEGNROUWVJXKD-QZTJIDSGSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000353247196 219987077 /nfs/dbraw/zinc/98/70/77/219987077.db2.gz GZDVTEHWAHNJTI-LBPRGKRZSA-N 2 2 271.355 3.077 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000474895892 242915065 /nfs/dbraw/zinc/91/50/65/242915065.db2.gz YEHVCDDGTTXYME-NVXWUHKLSA-N 2 2 262.441 3.356 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)c1 ZINC000479875577 243130520 /nfs/dbraw/zinc/13/05/20/243130520.db2.gz RIIZMMKLYMVRHU-KRWDZBQOSA-N 2 2 274.452 3.246 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000484520502 243316059 /nfs/dbraw/zinc/31/60/59/243316059.db2.gz TYRLFNJRCBCVBQ-XUJVJEKNSA-N 2 2 278.465 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000484520502 243316066 /nfs/dbraw/zinc/31/60/66/243316066.db2.gz TYRLFNJRCBCVBQ-XUJVJEKNSA-N 2 2 278.465 3.444 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000484508839 243316234 /nfs/dbraw/zinc/31/62/34/243316234.db2.gz YETUNBTWYOESQQ-SLEUVZQESA-N 2 2 290.476 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000484508839 243316235 /nfs/dbraw/zinc/31/62/35/243316235.db2.gz YETUNBTWYOESQQ-SLEUVZQESA-N 2 2 290.476 3.370 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(Cl)c1 ZINC000485221230 243326831 /nfs/dbraw/zinc/32/68/31/243326831.db2.gz ZLRHFDAGSIFFDS-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(Cl)c1 ZINC000485221230 243326835 /nfs/dbraw/zinc/32/68/35/243326835.db2.gz ZLRHFDAGSIFFDS-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(Cl)c1 ZINC000485221230 243326841 /nfs/dbraw/zinc/32/68/41/243326841.db2.gz ZLRHFDAGSIFFDS-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(Cl)c1 ZINC000485221230 243326844 /nfs/dbraw/zinc/32/68/44/243326844.db2.gz ZLRHFDAGSIFFDS-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP c1cn(CCC[NH2+]Cc2ccc(-c3ccccc3)o2)c[nH+]1 ZINC000010314099 368579607 /nfs/dbraw/zinc/57/96/07/368579607.db2.gz LIEFOVKXVMFJLP-UHFFFAOYSA-N 2 2 281.359 3.323 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000022935953 368814327 /nfs/dbraw/zinc/81/43/27/368814327.db2.gz RFBHIDOQHRIETC-QGZVFWFLSA-N 2 2 268.404 3.414 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000022935953 368814333 /nfs/dbraw/zinc/81/43/33/368814333.db2.gz RFBHIDOQHRIETC-QGZVFWFLSA-N 2 2 268.404 3.414 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031995063 368922668 /nfs/dbraw/zinc/92/26/68/368922668.db2.gz SSWDGIGWZKLFQY-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031995063 368922674 /nfs/dbraw/zinc/92/26/74/368922674.db2.gz SSWDGIGWZKLFQY-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP CC(C)([NH3+])C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036428926 369022497 /nfs/dbraw/zinc/02/24/97/369022497.db2.gz UZKATEAEAWUUBH-UHFFFAOYSA-N 2 2 268.404 3.426 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000037140942 369067490 /nfs/dbraw/zinc/06/74/90/369067490.db2.gz OMUCTHGXIFPEHX-LLVKDONJSA-N 2 2 280.362 3.242 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1OC ZINC000037213781 369077033 /nfs/dbraw/zinc/07/70/33/369077033.db2.gz JBHVFKULUDFTKY-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1OC ZINC000037213781 369077039 /nfs/dbraw/zinc/07/70/39/369077039.db2.gz JBHVFKULUDFTKY-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000042519686 369224177 /nfs/dbraw/zinc/22/41/77/369224177.db2.gz HPFSZGGKORSNJD-ZDUSSCGKSA-N 2 2 254.443 3.332 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000042519686 369224183 /nfs/dbraw/zinc/22/41/83/369224183.db2.gz HPFSZGGKORSNJD-ZDUSSCGKSA-N 2 2 254.443 3.332 20 0 CGADLP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000493917168 244253785 /nfs/dbraw/zinc/25/37/85/244253785.db2.gz PLEZNDOTHVPGLC-INIZCTEOSA-N 2 2 298.858 3.347 20 0 CGADLP COC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC000493917168 244253788 /nfs/dbraw/zinc/25/37/88/244253788.db2.gz PLEZNDOTHVPGLC-INIZCTEOSA-N 2 2 298.858 3.347 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685080 369265222 /nfs/dbraw/zinc/26/52/22/369265222.db2.gz XWKNWYIQHPXYLN-XJKSGUPXSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685080 369265224 /nfs/dbraw/zinc/26/52/24/369265224.db2.gz XWKNWYIQHPXYLN-XJKSGUPXSA-N 2 2 258.409 3.136 20 0 CGADLP CC1(C)C[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000045116828 369276941 /nfs/dbraw/zinc/27/69/41/369276941.db2.gz VGNRPUWFURZDQJ-JKSUJKDBSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000045116828 369276943 /nfs/dbraw/zinc/27/69/43/369276943.db2.gz VGNRPUWFURZDQJ-JKSUJKDBSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)s1 ZINC000045663875 369283950 /nfs/dbraw/zinc/28/39/50/369283950.db2.gz UBBBPPKNJZMJEQ-SNVBAGLBSA-N 2 2 260.834 3.394 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495066622 244351833 /nfs/dbraw/zinc/35/18/33/244351833.db2.gz MEZBYBYMVDEIFZ-QIIPPGSGSA-N 2 2 287.451 3.203 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495066620 244351936 /nfs/dbraw/zinc/35/19/36/244351936.db2.gz MEZBYBYMVDEIFZ-JCKWVBRZSA-N 2 2 287.451 3.203 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083853 244355317 /nfs/dbraw/zinc/35/53/17/244355317.db2.gz FAQOYEBCMQCYMC-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083853 244355323 /nfs/dbraw/zinc/35/53/23/244355323.db2.gz FAQOYEBCMQCYMC-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083853 244355326 /nfs/dbraw/zinc/35/53/26/244355326.db2.gz FAQOYEBCMQCYMC-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083853 244355331 /nfs/dbraw/zinc/35/53/31/244355331.db2.gz FAQOYEBCMQCYMC-PKOBYXMFSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+](CC[NH2+]CC1CCCCC1)Cc1ccccc1 ZINC000049592526 369412695 /nfs/dbraw/zinc/41/26/95/369412695.db2.gz MHBIIXYACWTMPG-UHFFFAOYSA-N 2 2 260.425 3.288 20 0 CGADLP C[N@@H+](CC[NH2+]CC1CCCCC1)Cc1ccccc1 ZINC000049592526 369412700 /nfs/dbraw/zinc/41/27/00/369412700.db2.gz MHBIIXYACWTMPG-UHFFFAOYSA-N 2 2 260.425 3.288 20 0 CGADLP c1sc2ccccc2c1C[NH2+]CC[NH+]1CCCC1 ZINC000049943295 369423812 /nfs/dbraw/zinc/42/38/12/369423812.db2.gz HNVDFJYQKMJURH-UHFFFAOYSA-N 2 2 260.406 3.087 20 0 CGADLP CCC[C@@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000050401750 369438625 /nfs/dbraw/zinc/43/86/25/369438625.db2.gz ZUYMHBXVLFWZCT-CQSZACIVSA-N 2 2 261.413 3.219 20 0 CGADLP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000053653033 369487712 /nfs/dbraw/zinc/48/77/12/369487712.db2.gz OPNAUEOFZBZUDT-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000053653033 369487716 /nfs/dbraw/zinc/48/77/16/369487716.db2.gz OPNAUEOFZBZUDT-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP Cn1c(CCC[NH2+]Cc2cccs2)[nH+]c2ccccc21 ZINC000076901226 369944168 /nfs/dbraw/zinc/94/41/68/369944168.db2.gz BCAUXXPPCSUIGE-UHFFFAOYSA-N 2 2 285.416 3.357 20 0 CGADLP C1=CC[C@H](C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092785554 370100023 /nfs/dbraw/zinc/10/00/23/370100023.db2.gz CEOBPAGFFSCGHH-IRXDYDNUSA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@H](C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092785554 370100027 /nfs/dbraw/zinc/10/00/27/370100027.db2.gz CEOBPAGFFSCGHH-IRXDYDNUSA-N 2 2 262.441 3.293 20 0 CGADLP COc1ccccc1/C=C/C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644434 370150727 /nfs/dbraw/zinc/15/07/27/370150727.db2.gz BOGDNQRNEAHPAA-OJJSLQOQSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644434 370150731 /nfs/dbraw/zinc/15/07/31/370150731.db2.gz BOGDNQRNEAHPAA-OJJSLQOQSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644434 370150734 /nfs/dbraw/zinc/15/07/34/370150734.db2.gz BOGDNQRNEAHPAA-OJJSLQOQSA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644434 370150738 /nfs/dbraw/zinc/15/07/38/370150738.db2.gz BOGDNQRNEAHPAA-OJJSLQOQSA-N 2 2 288.435 3.123 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@@H+]1C ZINC000093644933 370153937 /nfs/dbraw/zinc/15/39/37/370153937.db2.gz RQDSKPFZWWERDW-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@H+]1C ZINC000093644933 370153939 /nfs/dbraw/zinc/15/39/39/370153939.db2.gz RQDSKPFZWWERDW-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644933 370153943 /nfs/dbraw/zinc/15/39/43/370153943.db2.gz RQDSKPFZWWERDW-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644933 370153947 /nfs/dbraw/zinc/15/39/47/370153947.db2.gz RQDSKPFZWWERDW-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928821 370257262 /nfs/dbraw/zinc/25/72/62/370257262.db2.gz HXYKZBOJNJBOKN-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794639 370365645 /nfs/dbraw/zinc/36/56/45/370365645.db2.gz HVCLISSCDBBIKH-DOTOQJQBSA-N 2 2 291.439 3.115 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000511957603 245012376 /nfs/dbraw/zinc/01/23/76/245012376.db2.gz YBGKMPGTVHGRRJ-NSCUHMNNSA-N 2 2 292.373 3.220 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000511957603 245012381 /nfs/dbraw/zinc/01/23/81/245012381.db2.gz YBGKMPGTVHGRRJ-NSCUHMNNSA-N 2 2 292.373 3.220 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000513008837 245060075 /nfs/dbraw/zinc/06/00/75/245060075.db2.gz LDCXIQRVWNNXHN-DDKJEQMHSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000513008837 245060079 /nfs/dbraw/zinc/06/00/79/245060079.db2.gz LDCXIQRVWNNXHN-DDKJEQMHSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000130654349 371049879 /nfs/dbraw/zinc/04/98/79/371049879.db2.gz JGGCTCVDKAAPKC-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000130654349 371049887 /nfs/dbraw/zinc/04/98/87/371049887.db2.gz JGGCTCVDKAAPKC-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130654349 371049890 /nfs/dbraw/zinc/04/98/90/371049890.db2.gz JGGCTCVDKAAPKC-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130654349 371049894 /nfs/dbraw/zinc/04/98/94/371049894.db2.gz JGGCTCVDKAAPKC-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000130068335 371009951 /nfs/dbraw/zinc/00/99/51/371009951.db2.gz XCMBBPJGCWWUGF-SLEUVZQESA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000130068335 371009956 /nfs/dbraw/zinc/00/99/56/371009956.db2.gz XCMBBPJGCWWUGF-SLEUVZQESA-N 2 2 294.439 3.435 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000130205279 371018453 /nfs/dbraw/zinc/01/84/53/371018453.db2.gz FREWENPBSOIHNH-SJORKVTESA-N 2 2 269.392 3.199 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545566 371115158 /nfs/dbraw/zinc/11/51/58/371115158.db2.gz UDCOHMWWSUBPKI-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545566 371115164 /nfs/dbraw/zinc/11/51/64/371115164.db2.gz UDCOHMWWSUBPKI-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131651657 371120761 /nfs/dbraw/zinc/12/07/61/371120761.db2.gz UPXIRRJAUPQWFO-AWEZNQCLSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131651657 371120763 /nfs/dbraw/zinc/12/07/63/371120763.db2.gz UPXIRRJAUPQWFO-AWEZNQCLSA-N 2 2 290.313 3.013 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000131675951 371122088 /nfs/dbraw/zinc/12/20/88/371122088.db2.gz NUJWXJYKIRJXFQ-MBNYWOFBSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000131675951 371122092 /nfs/dbraw/zinc/12/20/92/371122092.db2.gz NUJWXJYKIRJXFQ-MBNYWOFBSA-N 2 2 278.465 3.202 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000132635432 371190008 /nfs/dbraw/zinc/19/00/08/371190008.db2.gz OKRBRWZYISQQEH-LALPHHSUSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000132635432 371190014 /nfs/dbraw/zinc/19/00/14/371190014.db2.gz OKRBRWZYISQQEH-LALPHHSUSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132462293 371176531 /nfs/dbraw/zinc/17/65/31/371176531.db2.gz OMKRJLMSBYDOJH-DZGCQCFKSA-N 2 2 287.432 3.419 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CC(C)C ZINC000132918978 371212219 /nfs/dbraw/zinc/21/22/19/371212219.db2.gz LSSWJVDOTSGKOR-XLAORIBOSA-N 3 2 297.531 3.061 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000132918978 371212224 /nfs/dbraw/zinc/21/22/24/371212224.db2.gz LSSWJVDOTSGKOR-XLAORIBOSA-N 3 2 297.531 3.061 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)C2)n1-c1ccccc1 ZINC000135286183 371410573 /nfs/dbraw/zinc/41/05/73/371410573.db2.gz DLHMSLMWKBTKMP-DZGCQCFKSA-N 2 2 269.392 3.459 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151141677 371576053 /nfs/dbraw/zinc/57/60/53/371576053.db2.gz IXAOFVTVAVYVCT-GJZGRUSLSA-N 2 2 287.407 3.064 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000287416932 371653186 /nfs/dbraw/zinc/65/31/86/371653186.db2.gz JWJAHJQZGCLJCD-STQMWFEESA-N 2 2 294.439 3.264 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287416932 371653188 /nfs/dbraw/zinc/65/31/88/371653188.db2.gz JWJAHJQZGCLJCD-STQMWFEESA-N 2 2 294.439 3.264 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421837860 371661757 /nfs/dbraw/zinc/66/17/57/371661757.db2.gz UDSXQKGRHXZAEV-MBNYWOFBSA-N 2 2 296.842 3.482 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000421837860 371661760 /nfs/dbraw/zinc/66/17/60/371661760.db2.gz UDSXQKGRHXZAEV-MBNYWOFBSA-N 2 2 296.842 3.482 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000289238090 371751923 /nfs/dbraw/zinc/75/19/23/371751923.db2.gz ZFZMHCQVQIBEEC-HNNXBMFYSA-N 2 2 269.392 3.201 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2cccc2[C@@H]1C ZINC000289238090 371751931 /nfs/dbraw/zinc/75/19/31/371751931.db2.gz ZFZMHCQVQIBEEC-HNNXBMFYSA-N 2 2 269.392 3.201 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422695547 371757202 /nfs/dbraw/zinc/75/72/02/371757202.db2.gz PYWMNXYVKJEPQJ-ROUUACIJSA-N 2 2 290.451 3.233 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)cc2c1C ZINC000422720256 371767873 /nfs/dbraw/zinc/76/78/73/371767873.db2.gz MKFHBNUWJJPBBT-PBHICJAKSA-N 2 2 285.435 3.405 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000422727565 371770968 /nfs/dbraw/zinc/77/09/68/371770968.db2.gz HKTPNHVEIPDMAE-ZIAGYGMSSA-N 2 2 252.789 3.090 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000422746914 371781587 /nfs/dbraw/zinc/78/15/87/371781587.db2.gz XNCZYHQVNUTLTM-PXAZEXFGSA-N 2 2 285.435 3.181 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337333206 214012882 /nfs/dbraw/zinc/01/28/82/214012882.db2.gz JGNNKCZOPGNEGB-FUHWJXTLSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337333206 214012886 /nfs/dbraw/zinc/01/28/86/214012886.db2.gz JGNNKCZOPGNEGB-FUHWJXTLSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)no1 ZINC000289671270 371788394 /nfs/dbraw/zinc/78/83/94/371788394.db2.gz JDPPSDLCKWHPNZ-GFCCVEGCSA-N 2 2 284.363 3.143 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000344035495 217021961 /nfs/dbraw/zinc/02/19/61/217021961.db2.gz RNZNIKJBLSSUJT-NQNKBUKLSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000344035495 217021963 /nfs/dbraw/zinc/02/19/63/217021963.db2.gz RNZNIKJBLSSUJT-NQNKBUKLSA-N 2 2 294.483 3.043 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827854 371831188 /nfs/dbraw/zinc/83/11/88/371831188.db2.gz NSNXTDKAWAOZMK-IRXDYDNUSA-N 2 2 276.424 3.094 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836747 371833115 /nfs/dbraw/zinc/83/31/15/371833115.db2.gz RYMPKWLNGGPHJA-IACUBPJLSA-N 2 2 298.377 3.469 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422798043 371815522 /nfs/dbraw/zinc/81/55/22/371815522.db2.gz PMIGSBJEIKIRQN-QWHCGFSZSA-N 2 2 284.350 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422805022 371821325 /nfs/dbraw/zinc/82/13/25/371821325.db2.gz LKJAEOGJFLMEJC-MDZLAQPJSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422865898 371845527 /nfs/dbraw/zinc/84/55/27/371845527.db2.gz PSOKPVHQWBKDSZ-RHSMWYFYSA-N 2 2 288.435 3.014 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(F)cc1CSC)[C@@H]1CCC[NH2+]1 ZINC000422871522 371847309 /nfs/dbraw/zinc/84/73/09/371847309.db2.gz ZBDKNKJHMHBQIH-HOTGVXAUSA-N 2 2 296.455 3.309 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cc1 ZINC000422876685 371849911 /nfs/dbraw/zinc/84/99/11/371849911.db2.gz GHQDGUYPDZISDQ-GDBMZVCRSA-N 2 2 282.387 3.491 20 0 CGADLP CSc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422880794 371851831 /nfs/dbraw/zinc/85/18/31/371851831.db2.gz ORBXKRWJKTVVOH-SWLSCSKDSA-N 2 2 264.438 3.029 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422882595 371852050 /nfs/dbraw/zinc/85/20/50/371852050.db2.gz AZNZBUZWXLDPKB-UONOGXRCSA-N 2 2 282.815 3.098 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000154546383 371854478 /nfs/dbraw/zinc/85/44/78/371854478.db2.gz SRFZRBFJVXNOFX-SWLSCSKDSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000154546383 371854489 /nfs/dbraw/zinc/85/44/89/371854489.db2.gz SRFZRBFJVXNOFX-SWLSCSKDSA-N 2 2 268.351 3.100 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000154548817 371854843 /nfs/dbraw/zinc/85/48/43/371854843.db2.gz VOJRJFGZRSCDQA-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000154548817 371854851 /nfs/dbraw/zinc/85/48/51/371854851.db2.gz VOJRJFGZRSCDQA-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000289971092 371866827 /nfs/dbraw/zinc/86/68/27/371866827.db2.gz BRUVZNJYQYCGCQ-GOSISDBHSA-N 2 2 284.403 3.300 20 0 CGADLP CC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155689759 371938764 /nfs/dbraw/zinc/93/87/64/371938764.db2.gz NJGSGYGIHMBLBT-AWEZNQCLSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155689759 371938770 /nfs/dbraw/zinc/93/87/70/371938770.db2.gz NJGSGYGIHMBLBT-AWEZNQCLSA-N 2 2 260.425 3.211 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306023 371960205 /nfs/dbraw/zinc/96/02/05/371960205.db2.gz IIJSZRPZFSYEKG-FEJRJVMZSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306023 371960207 /nfs/dbraw/zinc/96/02/07/371960207.db2.gz IIJSZRPZFSYEKG-FEJRJVMZSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306023 371960208 /nfs/dbraw/zinc/96/02/08/371960208.db2.gz IIJSZRPZFSYEKG-FEJRJVMZSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306023 371960211 /nfs/dbraw/zinc/96/02/11/371960211.db2.gz IIJSZRPZFSYEKG-FEJRJVMZSA-N 2 2 292.373 3.004 20 0 CGADLP CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423108263 371970034 /nfs/dbraw/zinc/97/00/34/371970034.db2.gz QSIHAYKONSVBFD-CABCVRRESA-N 2 2 296.842 3.359 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423109653 371971606 /nfs/dbraw/zinc/97/16/06/371971606.db2.gz SUYYXSJWBLSIJT-KBPBESRZSA-N 2 2 282.428 3.297 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2sccc2c1)[C@H]1CCC[NH2+]1 ZINC000423122909 371977486 /nfs/dbraw/zinc/97/74/86/371977486.db2.gz LNFDQEJQXNQNBS-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000423130589 371983096 /nfs/dbraw/zinc/98/30/96/371983096.db2.gz GVFZSQPRVXBQIC-IUIKQTSFSA-N 2 2 298.352 3.114 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000423135550 371984937 /nfs/dbraw/zinc/98/49/37/371984937.db2.gz UFOGNSUCQRWQHS-JLLWLGSASA-N 2 2 284.856 3.367 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423072145 371947709 /nfs/dbraw/zinc/94/77/09/371947709.db2.gz GUZCQEUQLLASJC-CRAIPNDOSA-N 2 2 296.414 3.278 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423089577 371956735 /nfs/dbraw/zinc/95/67/35/371956735.db2.gz VMWDDWRZRGYWTC-KBPBESRZSA-N 2 2 288.769 3.368 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H]1OC ZINC000344166164 217082157 /nfs/dbraw/zinc/08/21/57/217082157.db2.gz JTXRDQKEWNRNJS-GJZGRUSLSA-N 2 2 291.439 3.067 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423236332 372042398 /nfs/dbraw/zinc/04/23/98/372042398.db2.gz ODNHDIAXDWCKIQ-HZMBPMFUSA-N 2 2 285.218 3.322 20 0 CGADLP CCc1cc(N2CCn3c[nH+]cc3C2)c2ccccc2[nH+]1 ZINC000290726704 372044805 /nfs/dbraw/zinc/04/48/05/372044805.db2.gz QAYYPOPAIVAATO-UHFFFAOYSA-N 2 2 278.359 3.014 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423296864 372049699 /nfs/dbraw/zinc/04/96/99/372049699.db2.gz HUNGXGDJMKHXTB-UKRRQHHQSA-N 2 2 271.408 3.403 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423418475 372062055 /nfs/dbraw/zinc/06/20/55/372062055.db2.gz HZXGQLKLTMNFOV-RBUKOAKNSA-N 2 2 296.389 3.290 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423180590 372009264 /nfs/dbraw/zinc/00/92/64/372009264.db2.gz BEVVKVRSXAPLOS-SECBINFHSA-N 2 2 261.196 3.254 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2c(F)cccc2F)cc1 ZINC000423178865 372009393 /nfs/dbraw/zinc/00/93/93/372009393.db2.gz GUPGCEXMUXYXPW-LLVKDONJSA-N 2 2 276.330 3.241 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000158610361 372075563 /nfs/dbraw/zinc/07/55/63/372075563.db2.gz CIGFJDDKTSSRLZ-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326035 372133018 /nfs/dbraw/zinc/13/30/18/372133018.db2.gz QBLVMUDETDPWAC-NOZJJQNGSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326035 372133024 /nfs/dbraw/zinc/13/30/24/372133024.db2.gz QBLVMUDETDPWAC-NOZJJQNGSA-N 2 2 290.304 3.156 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000040671813 541868404 /nfs/dbraw/zinc/86/84/04/541868404.db2.gz UTCUONSLKCDFLO-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000040671813 541868407 /nfs/dbraw/zinc/86/84/07/541868407.db2.gz UTCUONSLKCDFLO-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672081 541868619 /nfs/dbraw/zinc/86/86/19/541868619.db2.gz NKICISNTPCASQB-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672081 541868622 /nfs/dbraw/zinc/86/86/22/541868622.db2.gz NKICISNTPCASQB-SJORKVTESA-N 2 2 260.425 3.458 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000159284722 372126555 /nfs/dbraw/zinc/12/65/55/372126555.db2.gz QCKWAVGEHJCKAK-HNNXBMFYSA-N 2 2 276.424 3.367 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293036735 372283788 /nfs/dbraw/zinc/28/37/88/372283788.db2.gz RYGAPFFDAOIQPW-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293036735 372283796 /nfs/dbraw/zinc/28/37/96/372283796.db2.gz RYGAPFFDAOIQPW-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293036735 372283801 /nfs/dbraw/zinc/28/38/01/372283801.db2.gz RYGAPFFDAOIQPW-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293036735 372283809 /nfs/dbraw/zinc/28/38/09/372283809.db2.gz RYGAPFFDAOIQPW-RDTXWAMCSA-N 2 2 299.418 3.307 20 0 CGADLP CN(C)c1ccc(NCc2cc(-n3cc[nH+]c3)cs2)[nH+]c1 ZINC000344330789 217153159 /nfs/dbraw/zinc/15/31/59/217153159.db2.gz VVZIYXMZFUSWLD-UHFFFAOYSA-N 2 2 299.403 3.007 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000163421665 372469183 /nfs/dbraw/zinc/46/91/83/372469183.db2.gz XILSZYFKFHGWIG-CJNGLKHVSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000163421665 372469187 /nfs/dbraw/zinc/46/91/87/372469187.db2.gz XILSZYFKFHGWIG-CJNGLKHVSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768916 372491378 /nfs/dbraw/zinc/49/13/78/372491378.db2.gz MAEKFHKWBBQFMG-KOLCDFICSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768916 372491380 /nfs/dbraw/zinc/49/13/80/372491380.db2.gz MAEKFHKWBBQFMG-KOLCDFICSA-N 2 2 290.304 3.156 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000164439195 372517478 /nfs/dbraw/zinc/51/74/78/372517478.db2.gz QGVXHFGNCCYGLZ-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000164439195 372517487 /nfs/dbraw/zinc/51/74/87/372517487.db2.gz QGVXHFGNCCYGLZ-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254565 372567642 /nfs/dbraw/zinc/56/76/42/372567642.db2.gz HNWRDOGECBKQJT-DHSIGJKJSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254565 372567648 /nfs/dbraw/zinc/56/76/48/372567648.db2.gz HNWRDOGECBKQJT-DHSIGJKJSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000166447051 372574927 /nfs/dbraw/zinc/57/49/27/372574927.db2.gz NEODPUVJYVNGQR-HNNXBMFYSA-N 2 2 261.344 3.153 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000168660759 372615914 /nfs/dbraw/zinc/61/59/14/372615914.db2.gz JJTWNTFTAUBDHY-AWEZNQCLSA-N 2 2 269.392 3.377 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000168660759 372615920 /nfs/dbraw/zinc/61/59/20/372615920.db2.gz JJTWNTFTAUBDHY-AWEZNQCLSA-N 2 2 269.392 3.377 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000344537230 217223566 /nfs/dbraw/zinc/22/35/66/217223566.db2.gz JYGFAPZHLYCWRU-HNNXBMFYSA-N 2 2 299.418 3.176 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474623351 284339624 /nfs/dbraw/zinc/33/96/24/284339624.db2.gz OZALHPZPYVKTSZ-OLZOCXBDSA-N 2 2 268.832 3.373 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474623351 284339625 /nfs/dbraw/zinc/33/96/25/284339625.db2.gz OZALHPZPYVKTSZ-OLZOCXBDSA-N 2 2 268.832 3.373 20 0 CGADLP CC[N@H+](Cc1csc(C(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435380979 372755433 /nfs/dbraw/zinc/75/54/33/372755433.db2.gz QYAPXZOXAAHLJU-CQSZACIVSA-N 2 2 281.469 3.231 20 0 CGADLP CC[N@@H+](Cc1csc(C(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435380979 372755442 /nfs/dbraw/zinc/75/54/42/372755442.db2.gz QYAPXZOXAAHLJU-CQSZACIVSA-N 2 2 281.469 3.231 20 0 CGADLP Cc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933614 372857440 /nfs/dbraw/zinc/85/74/40/372857440.db2.gz PKPLRMGMWMXVLZ-UHFFFAOYSA-N 2 2 255.365 3.029 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000353505785 220122956 /nfs/dbraw/zinc/12/29/56/220122956.db2.gz WCQWPCXODPRCBX-UHFFFAOYSA-N 2 2 270.420 3.234 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000353505785 220122957 /nfs/dbraw/zinc/12/29/57/220122957.db2.gz WCQWPCXODPRCBX-UHFFFAOYSA-N 2 2 270.420 3.234 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000353501250 220119018 /nfs/dbraw/zinc/11/90/18/220119018.db2.gz YRZSLSRNAHHSRJ-HZPDHXFCSA-N 2 2 264.413 3.441 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccoc1 ZINC000353501250 220119019 /nfs/dbraw/zinc/11/90/19/220119019.db2.gz YRZSLSRNAHHSRJ-HZPDHXFCSA-N 2 2 264.413 3.441 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000295897546 372950399 /nfs/dbraw/zinc/95/03/99/372950399.db2.gz YUQQUWKTIOOBMG-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000295897546 372950405 /nfs/dbraw/zinc/95/04/05/372950405.db2.gz YUQQUWKTIOOBMG-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000295979859 372983691 /nfs/dbraw/zinc/98/36/91/372983691.db2.gz JGRHODRMSFNGJM-ZDUSSCGKSA-N 2 2 293.361 3.287 20 0 CGADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000295979859 372983703 /nfs/dbraw/zinc/98/37/03/372983703.db2.gz JGRHODRMSFNGJM-ZDUSSCGKSA-N 2 2 293.361 3.287 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000353522897 220133819 /nfs/dbraw/zinc/13/38/19/220133819.db2.gz SOMRDIGKHGFJRI-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CCCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000344759160 217300872 /nfs/dbraw/zinc/30/08/72/217300872.db2.gz PMNKYSXKTUCGRU-CQSZACIVSA-N 2 2 270.461 3.044 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C(F)F)CC1 ZINC000442726370 373070278 /nfs/dbraw/zinc/07/02/78/373070278.db2.gz SMJUVISWSSQKCA-IYXRBSQSSA-N 2 2 274.399 3.274 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000344856852 217334635 /nfs/dbraw/zinc/33/46/35/217334635.db2.gz ZVAXDRUCRQCOJT-ZBFHGGJFSA-N 2 2 295.496 3.442 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000296660737 373214606 /nfs/dbraw/zinc/21/46/06/373214606.db2.gz FDPSZKHTNDYVIR-AWEZNQCLSA-N 2 2 286.423 3.446 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCc1ccccc1)Cc1ccco1 ZINC000353580846 220169507 /nfs/dbraw/zinc/16/95/07/220169507.db2.gz YZFXNYGJDABSSI-UHFFFAOYSA-N 2 2 286.419 3.276 20 0 CGADLP C[NH+](CCC[N@H+](C)CCc1ccccc1)Cc1ccco1 ZINC000353580846 220169511 /nfs/dbraw/zinc/16/95/11/220169511.db2.gz YZFXNYGJDABSSI-UHFFFAOYSA-N 2 2 286.419 3.276 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccccc1 ZINC000353580846 220169512 /nfs/dbraw/zinc/16/95/12/220169512.db2.gz YZFXNYGJDABSSI-UHFFFAOYSA-N 2 2 286.419 3.276 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccccc1 ZINC000353580846 220169518 /nfs/dbraw/zinc/16/95/18/220169518.db2.gz YZFXNYGJDABSSI-UHFFFAOYSA-N 2 2 286.419 3.276 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(F)c1 ZINC000446886382 373376078 /nfs/dbraw/zinc/37/60/78/373376078.db2.gz FYBWGXBNDSXHAA-RCBQFDQVSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(F)c1 ZINC000446886382 373376085 /nfs/dbraw/zinc/37/60/85/373376085.db2.gz FYBWGXBNDSXHAA-RCBQFDQVSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000446760001 373359206 /nfs/dbraw/zinc/35/92/06/373359206.db2.gz DRUZVTXYQCEQGH-HLLBOEOZSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000446760001 373359211 /nfs/dbraw/zinc/35/92/11/373359211.db2.gz DRUZVTXYQCEQGH-HLLBOEOZSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@@H+]1C ZINC000446762058 373360001 /nfs/dbraw/zinc/36/00/01/373360001.db2.gz NCUUWDRKNCDPME-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@H+]1C ZINC000446762058 373360010 /nfs/dbraw/zinc/36/00/10/373360010.db2.gz NCUUWDRKNCDPME-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448066419 373546231 /nfs/dbraw/zinc/54/62/31/373546231.db2.gz LFPUTQBEDMJPEG-INIZCTEOSA-N 2 2 270.420 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448066419 373546239 /nfs/dbraw/zinc/54/62/39/373546239.db2.gz LFPUTQBEDMJPEG-INIZCTEOSA-N 2 2 270.420 3.183 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000300308111 373623974 /nfs/dbraw/zinc/62/39/74/373623974.db2.gz HRMHDZOAWGUPNX-XHSDSOJGSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300308111 373623978 /nfs/dbraw/zinc/62/39/78/373623978.db2.gz HRMHDZOAWGUPNX-XHSDSOJGSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449074933 373658695 /nfs/dbraw/zinc/65/86/95/373658695.db2.gz DGCIAMVGBMUVRC-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449074933 373658707 /nfs/dbraw/zinc/65/87/07/373658707.db2.gz DGCIAMVGBMUVRC-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293279 373671798 /nfs/dbraw/zinc/67/17/98/373671798.db2.gz ZEOSWHOGSGMOBO-GJZGRUSLSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293279 373671805 /nfs/dbraw/zinc/67/18/05/373671805.db2.gz ZEOSWHOGSGMOBO-GJZGRUSLSA-N 2 2 284.407 3.278 20 0 CGADLP c1cn(-c2ccc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cc2)c[nH+]1 ZINC000177535202 373690634 /nfs/dbraw/zinc/69/06/34/373690634.db2.gz DDZAHMLUVIWSMG-IAGOWNOFSA-N 2 2 281.403 3.494 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442438 373719383 /nfs/dbraw/zinc/71/93/83/373719383.db2.gz YZETWQUSIOFTRW-CKEIUWERSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442438 373719391 /nfs/dbraw/zinc/71/93/91/373719391.db2.gz YZETWQUSIOFTRW-CKEIUWERSA-N 2 2 258.409 3.038 20 0 CGADLP Cc1cc(NC2CC[NH+](Cc3ccccc3C)CC2)nc[nH+]1 ZINC000301233704 373703682 /nfs/dbraw/zinc/70/36/82/373703682.db2.gz IYUFVXOSLQBCTC-UHFFFAOYSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(NC2CC[NH+](CC3CCCCC3)CC2)nc[nH+]1 ZINC000301241211 373705604 /nfs/dbraw/zinc/70/56/04/373705604.db2.gz MNWKJSKCBJVXLS-UHFFFAOYSA-N 2 2 288.439 3.242 20 0 CGADLP CCc1ccc([C@@H](CNc2cc(C)[nH+]cn2)[NH+](C)C)cc1 ZINC000301241130 373706192 /nfs/dbraw/zinc/70/61/92/373706192.db2.gz MJGXOOPCPCCKGD-MRXNPFEDSA-N 2 2 284.407 3.062 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000301653306 373794102 /nfs/dbraw/zinc/79/41/02/373794102.db2.gz UECVJPDXAGSTCP-VMPITWQZSA-N 2 2 293.414 3.225 20 0 CGADLP Cc1ccc(OCC[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179620042 373895144 /nfs/dbraw/zinc/89/51/44/373895144.db2.gz FOLJMVDBKIEZCW-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP Cc1ccc(OCC[N@H+](C)Cc2cccc3[nH+]ccn32)cc1 ZINC000179620042 373895151 /nfs/dbraw/zinc/89/51/51/373895151.db2.gz FOLJMVDBKIEZCW-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@@H+]1C ZINC000179754462 373913142 /nfs/dbraw/zinc/91/31/42/373913142.db2.gz LGJGNVZQNOKLTI-TZMCWYRMSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754462 373913149 /nfs/dbraw/zinc/91/31/49/373913149.db2.gz LGJGNVZQNOKLTI-TZMCWYRMSA-N 2 2 294.389 3.416 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000179804727 373919776 /nfs/dbraw/zinc/91/97/76/373919776.db2.gz ZDXITQXUYZENOH-BBRMVZONSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000179804727 373919780 /nfs/dbraw/zinc/91/97/80/373919780.db2.gz ZDXITQXUYZENOH-BBRMVZONSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000179916691 373938558 /nfs/dbraw/zinc/93/85/58/373938558.db2.gz CDXQLUHZRXOUFA-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353670024 220243285 /nfs/dbraw/zinc/24/32/85/220243285.db2.gz FTFQUVDMYWKCAF-NVXWUHKLSA-N 2 2 282.387 3.130 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353670024 220243287 /nfs/dbraw/zinc/24/32/87/220243287.db2.gz FTFQUVDMYWKCAF-NVXWUHKLSA-N 2 2 282.387 3.130 20 0 CGADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180178812 373974378 /nfs/dbraw/zinc/97/43/78/373974378.db2.gz FRYVAGDWKVZWCS-ZDUSSCGKSA-N 2 2 281.359 3.233 20 0 CGADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180178812 373974385 /nfs/dbraw/zinc/97/43/85/373974385.db2.gz FRYVAGDWKVZWCS-ZDUSSCGKSA-N 2 2 281.359 3.233 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)n1 ZINC000180277803 373986962 /nfs/dbraw/zinc/98/69/62/373986962.db2.gz QKMWNLALCBLHLH-QGZVFWFLSA-N 2 2 292.386 3.375 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)n1 ZINC000180277803 373986965 /nfs/dbraw/zinc/98/69/65/373986965.db2.gz QKMWNLALCBLHLH-QGZVFWFLSA-N 2 2 292.386 3.375 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000180348904 373993382 /nfs/dbraw/zinc/99/33/82/373993382.db2.gz SZCGJQMRTIWCHX-GOEBONIOSA-N 2 2 270.420 3.281 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000180348904 373993386 /nfs/dbraw/zinc/99/33/86/373993386.db2.gz SZCGJQMRTIWCHX-GOEBONIOSA-N 2 2 270.420 3.281 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)no1 ZINC000289510597 197383907 /nfs/dbraw/zinc/38/39/07/197383907.db2.gz AJDNEENIQDEVMU-AWEZNQCLSA-N 2 2 296.374 3.079 20 0 CGADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000450270252 374031695 /nfs/dbraw/zinc/03/16/95/374031695.db2.gz QVZBSOQGCHUEFZ-ZDUSSCGKSA-N 2 2 296.484 3.043 20 0 CGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000450270252 374031699 /nfs/dbraw/zinc/03/16/99/374031699.db2.gz QVZBSOQGCHUEFZ-ZDUSSCGKSA-N 2 2 296.484 3.043 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181681857 374153632 /nfs/dbraw/zinc/15/36/32/374153632.db2.gz BPAGNEZMVMCLID-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181681857 374153637 /nfs/dbraw/zinc/15/36/37/374153637.db2.gz BPAGNEZMVMCLID-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000181907313 374190391 /nfs/dbraw/zinc/19/03/91/374190391.db2.gz OFNGRJMTFLVNPK-IAGOWNOFSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181907313 374190401 /nfs/dbraw/zinc/19/04/01/374190401.db2.gz OFNGRJMTFLVNPK-IAGOWNOFSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602931 374284151 /nfs/dbraw/zinc/28/41/51/374284151.db2.gz NNDIEEJZIRYBDX-WCBMZHEXSA-N 2 2 293.263 3.485 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602931 374284163 /nfs/dbraw/zinc/28/41/63/374284163.db2.gz NNDIEEJZIRYBDX-WCBMZHEXSA-N 2 2 293.263 3.485 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000353680325 220254172 /nfs/dbraw/zinc/25/41/72/220254172.db2.gz SUFJONCXRWZROY-SOUVJXGZSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000353680325 220254175 /nfs/dbraw/zinc/25/41/75/220254175.db2.gz SUFJONCXRWZROY-SOUVJXGZSA-N 2 2 291.439 3.287 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328525409 374366497 /nfs/dbraw/zinc/36/64/97/374366497.db2.gz TXPOYMLIIUOPTK-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328525409 374366502 /nfs/dbraw/zinc/36/65/02/374366502.db2.gz TXPOYMLIIUOPTK-RISCZKNCSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cs1 ZINC000453194576 374369321 /nfs/dbraw/zinc/36/93/21/374369321.db2.gz NXIBQYCSWIUFJG-SGMGOOAPSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cs1 ZINC000453194576 374369325 /nfs/dbraw/zinc/36/93/25/374369325.db2.gz NXIBQYCSWIUFJG-SGMGOOAPSA-N 2 2 252.427 3.190 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183180166 374382698 /nfs/dbraw/zinc/38/26/98/374382698.db2.gz NPAKXZIVUZXXMG-GDBMZVCRSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183180166 374382702 /nfs/dbraw/zinc/38/27/02/374382702.db2.gz NPAKXZIVUZXXMG-GDBMZVCRSA-N 2 2 287.382 3.290 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000090167754 541958174 /nfs/dbraw/zinc/95/81/74/541958174.db2.gz XLCXPJGWOQYLSE-SFHVURJKSA-N 2 2 295.430 3.224 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000090167754 541958177 /nfs/dbraw/zinc/95/81/77/541958177.db2.gz XLCXPJGWOQYLSE-SFHVURJKSA-N 2 2 295.430 3.224 20 0 CGADLP CCc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000185291209 374629590 /nfs/dbraw/zinc/62/95/90/374629590.db2.gz KLRCYMWBLOXWGM-UHFFFAOYSA-N 2 2 264.413 3.054 20 0 CGADLP COc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000185675373 374709835 /nfs/dbraw/zinc/70/98/35/374709835.db2.gz XDSVZVKEBNJQEV-KXBFYZLASA-N 2 2 298.430 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000334402453 374720094 /nfs/dbraw/zinc/72/00/94/374720094.db2.gz GBAVUOJMYVAASC-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000334402453 374720098 /nfs/dbraw/zinc/72/00/98/374720098.db2.gz GBAVUOJMYVAASC-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413100 374729753 /nfs/dbraw/zinc/72/97/53/374729753.db2.gz MHZJUYTWWUDHBU-ONGXEEELSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413100 374729761 /nfs/dbraw/zinc/72/97/61/374729761.db2.gz MHZJUYTWWUDHBU-ONGXEEELSA-N 2 2 293.773 3.410 20 0 CGADLP Cc1ccc(C(=O)CC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000187237657 374990918 /nfs/dbraw/zinc/99/09/18/374990918.db2.gz YNSPYEASZDMIAX-UHFFFAOYSA-N 2 2 288.435 3.030 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000187742710 375086174 /nfs/dbraw/zinc/08/61/74/375086174.db2.gz DTACODQXDATTLL-AWEZNQCLSA-N 2 2 297.377 3.237 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC([NH3+])CC1 ZINC000034958688 296226506 /nfs/dbraw/zinc/22/65/06/296226506.db2.gz ZZEBQBMSMAHZQC-VIFPVBQESA-N 2 2 273.207 3.478 20 0 CGADLP Cc1cscc1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000487214366 375208772 /nfs/dbraw/zinc/20/87/72/375208772.db2.gz GERUEDZDNQRMQN-UHFFFAOYSA-N 2 2 271.389 3.302 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000488455573 375310015 /nfs/dbraw/zinc/31/00/15/375310015.db2.gz FJZXZEAAVXDZFD-ZOWXZIJZSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000488455573 375310023 /nfs/dbraw/zinc/31/00/23/375310023.db2.gz FJZXZEAAVXDZFD-ZOWXZIJZSA-N 2 2 266.816 3.331 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114949 375327810 /nfs/dbraw/zinc/32/78/10/375327810.db2.gz JOESSOYHGRGVOS-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114949 375327816 /nfs/dbraw/zinc/32/78/16/375327816.db2.gz JOESSOYHGRGVOS-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114949 375327820 /nfs/dbraw/zinc/32/78/20/375327820.db2.gz JOESSOYHGRGVOS-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114949 375327826 /nfs/dbraw/zinc/32/78/26/375327826.db2.gz JOESSOYHGRGVOS-WBMJQRKESA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000491582197 375333840 /nfs/dbraw/zinc/33/38/40/375333840.db2.gz VFWHGJDDQKCBFH-BFHYXJOUSA-N 2 2 274.399 3.132 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000491582197 375333843 /nfs/dbraw/zinc/33/38/43/375333843.db2.gz VFWHGJDDQKCBFH-BFHYXJOUSA-N 2 2 274.399 3.132 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910561 375533127 /nfs/dbraw/zinc/53/31/27/375533127.db2.gz HZMKHCCHRPCXDJ-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910561 375533132 /nfs/dbraw/zinc/53/31/32/375533132.db2.gz HZMKHCCHRPCXDJ-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP COCC(C)(C)C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000494039891 375484399 /nfs/dbraw/zinc/48/43/99/375484399.db2.gz VWWDYVALAMOCFQ-HNNXBMFYSA-N 2 2 292.467 3.378 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000192038023 375691612 /nfs/dbraw/zinc/69/16/12/375691612.db2.gz GDYUHRQOKBYWQM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000192038023 375691617 /nfs/dbraw/zinc/69/16/17/375691617.db2.gz GDYUHRQOKBYWQM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000192038023 375691618 /nfs/dbraw/zinc/69/16/18/375691618.db2.gz GDYUHRQOKBYWQM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000192038023 375691622 /nfs/dbraw/zinc/69/16/22/375691622.db2.gz GDYUHRQOKBYWQM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000192641491 375774974 /nfs/dbraw/zinc/77/49/74/375774974.db2.gz ZBDJOVOIXRSVMV-KRWDZBQOSA-N 2 2 273.424 3.009 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192767076 375787880 /nfs/dbraw/zinc/78/78/80/375787880.db2.gz MBFZLYOIDYNUCL-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192767076 375787888 /nfs/dbraw/zinc/78/78/88/375787888.db2.gz MBFZLYOIDYNUCL-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541259 375843258 /nfs/dbraw/zinc/84/32/58/375843258.db2.gz NONGOJZFGBOQQA-WBVHZDCISA-N 2 2 276.424 3.068 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541259 375843261 /nfs/dbraw/zinc/84/32/61/375843261.db2.gz NONGOJZFGBOQQA-WBVHZDCISA-N 2 2 276.424 3.068 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H]2C)n1-c1ccccc1 ZINC000336811477 375963428 /nfs/dbraw/zinc/96/34/28/375963428.db2.gz NEPBFAMKVUIHKB-LRDDRELGSA-N 2 2 255.365 3.069 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000336724948 375922684 /nfs/dbraw/zinc/92/26/84/375922684.db2.gz XGFVQYFYVVTKFD-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000336724948 375922694 /nfs/dbraw/zinc/92/26/94/375922694.db2.gz XGFVQYFYVVTKFD-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1[nH+]ccn1CCCCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000336849662 376011262 /nfs/dbraw/zinc/01/12/62/376011262.db2.gz SLRDQAWOLXRZGL-KBPBESRZSA-N 2 2 286.423 3.239 20 0 CGADLP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000336891056 376020868 /nfs/dbraw/zinc/02/08/68/376020868.db2.gz OWYNUWPUMCNHMD-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072376 376157469 /nfs/dbraw/zinc/15/74/69/376157469.db2.gz LBMSQNVLPUHMNN-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072376 376157475 /nfs/dbraw/zinc/15/74/75/376157475.db2.gz LBMSQNVLPUHMNN-NXEZZACHSA-N 2 2 290.304 3.014 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)COC(C)C)[NH+](C)C ZINC000337258829 376171628 /nfs/dbraw/zinc/17/16/28/376171628.db2.gz OSEVMFYWNKQBEF-NUJGCVRESA-N 2 2 292.467 3.389 20 0 CGADLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337267595 376179189 /nfs/dbraw/zinc/17/91/89/376179189.db2.gz JCTWPNIKTKUMKV-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337267595 376179200 /nfs/dbraw/zinc/17/92/00/376179200.db2.gz JCTWPNIKTKUMKV-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000226231504 376342993 /nfs/dbraw/zinc/34/29/93/376342993.db2.gz KSCRBOIENQILRW-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000226231504 376343002 /nfs/dbraw/zinc/34/30/02/376343002.db2.gz KSCRBOIENQILRW-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000538971840 376283372 /nfs/dbraw/zinc/28/33/72/376283372.db2.gz SHHWDGORVZIQQL-UXLLHSPISA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000538971840 376283375 /nfs/dbraw/zinc/28/33/75/376283375.db2.gz SHHWDGORVZIQQL-UXLLHSPISA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000539051949 376288866 /nfs/dbraw/zinc/28/88/66/376288866.db2.gz QYOYWJRDERGPKW-ZIAGYGMSSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000539051949 376288871 /nfs/dbraw/zinc/28/88/71/376288871.db2.gz QYOYWJRDERGPKW-ZIAGYGMSSA-N 2 2 281.469 3.162 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338686032 376480488 /nfs/dbraw/zinc/48/04/88/376480488.db2.gz BPOMIDSGRYYFBT-OIISXLGYSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000230660057 376525276 /nfs/dbraw/zinc/52/52/76/376525276.db2.gz WZURQFIWANRYRC-CABCVRRESA-N 2 2 273.424 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338774511 376525380 /nfs/dbraw/zinc/52/53/80/376525380.db2.gz KCOIPIKVDAXHNS-KYYHFZFISA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338774511 376525391 /nfs/dbraw/zinc/52/53/91/376525391.db2.gz KCOIPIKVDAXHNS-KYYHFZFISA-N 2 2 284.447 3.393 20 0 CGADLP c1[nH]nc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc12 ZINC000334344497 206399870 /nfs/dbraw/zinc/39/98/70/206399870.db2.gz SPWSENGZYIWOQD-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000235515604 376644114 /nfs/dbraw/zinc/64/41/14/376644114.db2.gz BRMAFKSXRZZYAW-GWCFXTLKSA-N 2 2 281.469 3.189 20 0 CGADLP COc1ccc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000339186089 376731788 /nfs/dbraw/zinc/73/17/88/376731788.db2.gz SBOXWLGYKYHHGX-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782966 542139520 /nfs/dbraw/zinc/13/95/20/542139520.db2.gz KKZKGMCAYNXJLJ-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782966 542139523 /nfs/dbraw/zinc/13/95/23/542139523.db2.gz KKZKGMCAYNXJLJ-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@@H]2C(C)C)cc1 ZINC000556879621 376898263 /nfs/dbraw/zinc/89/82/63/376898263.db2.gz FYEZWKIRLOPTEH-SQNIBIBYSA-N 2 2 290.451 3.322 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H](C)C1 ZINC000556608668 376865887 /nfs/dbraw/zinc/86/58/87/376865887.db2.gz QRRHJJFANMVXSW-VNHYZAJKSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000556872630 376895300 /nfs/dbraw/zinc/89/53/00/376895300.db2.gz QPJYEBPGLNSOBE-ZWKOTPCHSA-N 2 2 286.463 3.110 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246129321 376971160 /nfs/dbraw/zinc/97/11/60/376971160.db2.gz AWCBPCGCBLPPOA-YOEHRIQHSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246129321 376971171 /nfs/dbraw/zinc/97/11/71/376971171.db2.gz AWCBPCGCBLPPOA-YOEHRIQHSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000246373164 377018208 /nfs/dbraw/zinc/01/82/08/377018208.db2.gz ANQIXKVKEMTNSK-CTASWTNQSA-N 2 2 276.424 3.365 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000558241039 376987528 /nfs/dbraw/zinc/98/75/28/376987528.db2.gz MCHDECXATIJIQK-GUDVDZBRSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000558241039 376987537 /nfs/dbraw/zinc/98/75/37/376987537.db2.gz MCHDECXATIJIQK-GUDVDZBRSA-N 2 2 284.447 3.429 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000558260834 376993911 /nfs/dbraw/zinc/99/39/11/376993911.db2.gz XUWILDQKKRRULL-MJGOQNOKSA-N 2 2 299.462 3.347 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000246277843 377003965 /nfs/dbraw/zinc/00/39/65/377003965.db2.gz BGBQZJIPPSYNKH-JLSDUUJJSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(CC[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000340522302 377120245 /nfs/dbraw/zinc/12/02/45/377120245.db2.gz ZZDYKSOYAXTCDG-UHFFFAOYSA-N 2 2 295.430 3.063 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558975257 377057956 /nfs/dbraw/zinc/05/79/56/377057956.db2.gz MVNABPJOTGHANL-WDSOQIARSA-N 2 2 284.447 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558975257 377057962 /nfs/dbraw/zinc/05/79/62/377057962.db2.gz MVNABPJOTGHANL-WDSOQIARSA-N 2 2 284.447 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975855 377058818 /nfs/dbraw/zinc/05/88/18/377058818.db2.gz DZCUERKTSFUGBK-UUKVCBHOSA-N 2 2 284.447 3.251 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975855 377058826 /nfs/dbraw/zinc/05/88/26/377058826.db2.gz DZCUERKTSFUGBK-UUKVCBHOSA-N 2 2 284.447 3.251 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000559786006 377098700 /nfs/dbraw/zinc/09/87/00/377098700.db2.gz FMOYVDHCSDNPIH-CRAIPNDOSA-N 2 2 299.393 3.146 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000559786006 377098705 /nfs/dbraw/zinc/09/87/05/377098705.db2.gz FMOYVDHCSDNPIH-CRAIPNDOSA-N 2 2 299.393 3.146 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000247098155 377160118 /nfs/dbraw/zinc/16/01/18/377160118.db2.gz XVMSXRPYFDQMJE-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000247098155 377160122 /nfs/dbraw/zinc/16/01/22/377160122.db2.gz XVMSXRPYFDQMJE-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000247098155 377160131 /nfs/dbraw/zinc/16/01/31/377160131.db2.gz XVMSXRPYFDQMJE-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000247098155 377160138 /nfs/dbraw/zinc/16/01/38/377160138.db2.gz XVMSXRPYFDQMJE-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594130 377161481 /nfs/dbraw/zinc/16/14/81/377161481.db2.gz LVKKSZCSEZGDME-GDBMZVCRSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594130 377161495 /nfs/dbraw/zinc/16/14/95/377161495.db2.gz LVKKSZCSEZGDME-GDBMZVCRSA-N 2 2 276.424 3.321 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccc(F)cc1F)C1CC1 ZINC000560528432 377166670 /nfs/dbraw/zinc/16/66/70/377166670.db2.gz FTCJUPDHBYQRPT-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccc(F)cc1F)C1CC1 ZINC000560528432 377166674 /nfs/dbraw/zinc/16/66/74/377166674.db2.gz FTCJUPDHBYQRPT-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000247189073 377174605 /nfs/dbraw/zinc/17/46/05/377174605.db2.gz VQHSFAIFWGVYGZ-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000247189073 377174614 /nfs/dbraw/zinc/17/46/14/377174614.db2.gz VQHSFAIFWGVYGZ-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000247966867 377249968 /nfs/dbraw/zinc/24/99/68/377249968.db2.gz IBPOPAPYNSNIBF-BPQIPLTHSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982212 377251371 /nfs/dbraw/zinc/25/13/71/377251371.db2.gz ILXSTSUIUYLRNC-GHJWDPDVSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000247982212 377251378 /nfs/dbraw/zinc/25/13/78/377251378.db2.gz ILXSTSUIUYLRNC-GHJWDPDVSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000562022494 377266351 /nfs/dbraw/zinc/26/63/51/377266351.db2.gz OZIXCAQNBKKCEL-SQNIBIBYSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517640 377321896 /nfs/dbraw/zinc/32/18/96/377321896.db2.gz CJDRDEAJOQKORW-KLHKWILBSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517640 377321902 /nfs/dbraw/zinc/32/19/02/377321902.db2.gz CJDRDEAJOQKORW-KLHKWILBSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1CCC[C@@H](CC[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129390 377411232 /nfs/dbraw/zinc/41/12/32/377411232.db2.gz QACKHXPYYQAXHX-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129390 377411236 /nfs/dbraw/zinc/41/12/36/377411236.db2.gz QACKHXPYYQAXHX-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP Cc1c[nH+]c(CNc2ccc([NH+]3CCCC3)cc2C)n1C ZINC000341140025 377416195 /nfs/dbraw/zinc/41/61/95/377416195.db2.gz BCROHXZTXZHGGY-UHFFFAOYSA-N 2 2 284.407 3.249 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1C ZINC000563439296 377465729 /nfs/dbraw/zinc/46/57/29/377465729.db2.gz LBZNIRZYSRQJER-QGZVFWFLSA-N 2 2 269.392 3.360 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000163724168 542169515 /nfs/dbraw/zinc/16/95/15/542169515.db2.gz WHOLOSSTMBQFGU-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000265083521 190156914 /nfs/dbraw/zinc/15/69/14/190156914.db2.gz RZJCXLJLAXBIKJ-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000265083521 190156915 /nfs/dbraw/zinc/15/69/15/190156915.db2.gz RZJCXLJLAXBIKJ-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000265083521 190156916 /nfs/dbraw/zinc/15/69/16/190156916.db2.gz RZJCXLJLAXBIKJ-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000265083521 190156917 /nfs/dbraw/zinc/15/69/17/190156917.db2.gz RZJCXLJLAXBIKJ-WMZOPIPTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc2ccccc2o1 ZINC000313249804 249089642 /nfs/dbraw/zinc/08/96/42/249089642.db2.gz FFGMXDNPXFDSLF-LBPRGKRZSA-N 2 2 269.348 3.060 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CC(c3ccccc3Cl)C2)c1 ZINC000313248211 249089857 /nfs/dbraw/zinc/08/98/57/249089857.db2.gz FIKAPJOVOAFMOR-UHFFFAOYSA-N 2 2 289.810 3.152 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313252976 249090052 /nfs/dbraw/zinc/09/00/52/249090052.db2.gz MIJNNXBRCAIQCE-HNNXBMFYSA-N 2 2 285.435 3.309 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000168671828 542178124 /nfs/dbraw/zinc/17/81/24/542178124.db2.gz WYFSFVDNTSYNIA-USXIJHARSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947199 249195684 /nfs/dbraw/zinc/19/56/84/249195684.db2.gz QIMNWQUFKGOXPL-WCQYABFASA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947199 249195685 /nfs/dbraw/zinc/19/56/85/249195685.db2.gz QIMNWQUFKGOXPL-WCQYABFASA-N 2 2 291.345 3.249 20 0 CGADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)s1 ZINC000515032612 249198952 /nfs/dbraw/zinc/19/89/52/249198952.db2.gz DOIQNVHVCXNDJB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)s1 ZINC000515032612 249198954 /nfs/dbraw/zinc/19/89/54/249198954.db2.gz DOIQNVHVCXNDJB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)s1 ZINC000515032612 249198955 /nfs/dbraw/zinc/19/89/55/249198955.db2.gz DOIQNVHVCXNDJB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)s1 ZINC000515032612 249198957 /nfs/dbraw/zinc/19/89/57/249198957.db2.gz DOIQNVHVCXNDJB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP CC(C)(C)[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000178614975 542198169 /nfs/dbraw/zinc/19/81/69/542198169.db2.gz XGUBCVZBBANWLQ-CQSZACIVSA-N 2 2 261.344 3.426 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000574339107 377650484 /nfs/dbraw/zinc/65/04/84/377650484.db2.gz MJBJNMSZKIAQQD-UHFFFAOYSA-N 2 2 299.393 3.070 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342559445 377660160 /nfs/dbraw/zinc/66/01/60/377660160.db2.gz YQYAMCIHURKKKP-GOSISDBHSA-N 2 2 299.418 3.427 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342559445 377660162 /nfs/dbraw/zinc/66/01/62/377660162.db2.gz YQYAMCIHURKKKP-GOSISDBHSA-N 2 2 299.418 3.427 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342668604 377722094 /nfs/dbraw/zinc/72/20/94/377722094.db2.gz OPTXKHNKDNAKGB-OIISXLGYSA-N 2 2 299.418 3.107 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000070148728 295237299 /nfs/dbraw/zinc/23/72/99/295237299.db2.gz NVONBZUVZSTAOY-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000070148728 295237300 /nfs/dbraw/zinc/23/73/00/295237300.db2.gz NVONBZUVZSTAOY-LBPRGKRZSA-N 2 2 270.779 3.182 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261580025 377819959 /nfs/dbraw/zinc/81/99/59/377819959.db2.gz PXAAYMLHWHXRJV-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261580025 377819969 /nfs/dbraw/zinc/81/99/69/377819969.db2.gz PXAAYMLHWHXRJV-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261577758 377820157 /nfs/dbraw/zinc/82/01/57/377820157.db2.gz OOSGFDBYVQKUOU-ISTVAULSSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261577758 377820164 /nfs/dbraw/zinc/82/01/64/377820164.db2.gz OOSGFDBYVQKUOU-ISTVAULSSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000261584127 377823712 /nfs/dbraw/zinc/82/37/12/377823712.db2.gz SCSBVOKDQZDMPL-JTNHKYCSSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC000261584127 377823720 /nfs/dbraw/zinc/82/37/20/377823720.db2.gz SCSBVOKDQZDMPL-JTNHKYCSSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342939873 377865716 /nfs/dbraw/zinc/86/57/16/377865716.db2.gz FJROGQXOESMKSP-LJQANCHMSA-N 2 2 291.398 3.498 20 0 CGADLP C[N@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000261922971 377867626 /nfs/dbraw/zinc/86/76/26/377867626.db2.gz KSELCTDOKQOKGG-LBPRGKRZSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000261922971 377867629 /nfs/dbraw/zinc/86/76/29/377867629.db2.gz KSELCTDOKQOKGG-LBPRGKRZSA-N 2 2 281.469 3.015 20 0 CGADLP Cc1cc2cc(C[NH2+]C3CC[NH+](C)CC3)oc2cc1C ZINC000343087035 377898534 /nfs/dbraw/zinc/89/85/34/377898534.db2.gz UGSVBLOVXVJXFJ-UHFFFAOYSA-N 2 2 272.392 3.233 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107579 377887206 /nfs/dbraw/zinc/88/72/06/377887206.db2.gz WDBWVKHIBBFNDD-KDOFPFPSSA-N 2 2 288.435 3.177 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107579 377887210 /nfs/dbraw/zinc/88/72/10/377887210.db2.gz WDBWVKHIBBFNDD-KDOFPFPSSA-N 2 2 288.435 3.177 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000261794191 377855034 /nfs/dbraw/zinc/85/50/34/377855034.db2.gz VHGHHEHJCWANRQ-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000261794191 377855041 /nfs/dbraw/zinc/85/50/41/377855041.db2.gz VHGHHEHJCWANRQ-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262542401 377899984 /nfs/dbraw/zinc/89/99/84/377899984.db2.gz RGUSOMVCTJWTPO-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262542401 377899995 /nfs/dbraw/zinc/89/99/95/377899995.db2.gz RGUSOMVCTJWTPO-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000578518592 378077007 /nfs/dbraw/zinc/07/70/07/378077007.db2.gz YRDVMFJNXPFOEO-LBPRGKRZSA-N 2 2 286.341 3.069 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343558617 378019759 /nfs/dbraw/zinc/01/97/59/378019759.db2.gz BPPKFDJPMQOUKX-KGLIPLIRSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343558617 378019764 /nfs/dbraw/zinc/01/97/64/378019764.db2.gz BPPKFDJPMQOUKX-KGLIPLIRSA-N 2 2 287.382 3.420 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837208 378126939 /nfs/dbraw/zinc/12/69/39/378126939.db2.gz UWMRIKYLAQWFIN-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c2c1 ZINC000268837208 378126943 /nfs/dbraw/zinc/12/69/43/378126943.db2.gz UWMRIKYLAQWFIN-GOEBONIOSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3[nH]ccc3c1)CCC2 ZINC000579130497 378132325 /nfs/dbraw/zinc/13/23/25/378132325.db2.gz SKPLIOMXHUWLDA-INIZCTEOSA-N 2 2 294.402 3.340 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000268733031 378098757 /nfs/dbraw/zinc/09/87/57/378098757.db2.gz UQYJCWGBHACJDX-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C12CCC2 ZINC000344113817 378159313 /nfs/dbraw/zinc/15/93/13/378159313.db2.gz MTZRKHOIJGHKCU-YESZJQIVSA-N 2 2 294.483 3.044 20 0 CGADLP Fc1ccccc1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000579428826 378159768 /nfs/dbraw/zinc/15/97/68/378159768.db2.gz JKHCGUGADKDUOM-UHFFFAOYSA-N 2 2 299.393 3.340 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000269047678 378180321 /nfs/dbraw/zinc/18/03/21/378180321.db2.gz HULMYXPZSKCHNW-INIZCTEOSA-N 2 2 297.402 3.169 20 0 CGADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@H](c1ccccc1)[NH+](C)C ZINC000580924573 378268928 /nfs/dbraw/zinc/26/89/28/378268928.db2.gz BKSKNSKHLMQEMO-SUMWQHHRSA-N 2 2 294.402 3.088 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCC(C)CC1 ZINC000580097434 378225402 /nfs/dbraw/zinc/22/54/02/378225402.db2.gz MULUTMMOAIMXKS-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000580129218 378226170 /nfs/dbraw/zinc/22/61/70/378226170.db2.gz QQIOZFFHZIIEGS-XYVMCAHJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000580129218 378226175 /nfs/dbraw/zinc/22/61/75/378226175.db2.gz QQIOZFFHZIIEGS-XYVMCAHJSA-N 2 2 272.436 3.285 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000583333157 378323530 /nfs/dbraw/zinc/32/35/30/378323530.db2.gz HSRAVPXWFCHEGL-CVEARBPZSA-N 2 2 292.471 3.017 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000583333157 378323533 /nfs/dbraw/zinc/32/35/33/378323533.db2.gz HSRAVPXWFCHEGL-CVEARBPZSA-N 2 2 292.471 3.017 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000583333158 378323642 /nfs/dbraw/zinc/32/36/42/378323642.db2.gz HSRAVPXWFCHEGL-HOTGVXAUSA-N 2 2 292.471 3.017 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000583333158 378323646 /nfs/dbraw/zinc/32/36/46/378323646.db2.gz HSRAVPXWFCHEGL-HOTGVXAUSA-N 2 2 292.471 3.017 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000583455884 378324703 /nfs/dbraw/zinc/32/47/03/378324703.db2.gz AXCHSRYILUCWTQ-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000583455884 378324708 /nfs/dbraw/zinc/32/47/08/378324708.db2.gz AXCHSRYILUCWTQ-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000583522842 378327909 /nfs/dbraw/zinc/32/79/09/378327909.db2.gz ADDJUQJVEXVGEY-YXWQFLTLSA-N 2 2 252.446 3.274 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000583522842 378327917 /nfs/dbraw/zinc/32/79/17/378327917.db2.gz ADDJUQJVEXVGEY-YXWQFLTLSA-N 2 2 252.446 3.274 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000583687546 378340054 /nfs/dbraw/zinc/34/00/54/378340054.db2.gz PUWGPHSGDDUXET-ZBFHGGJFSA-N 2 2 288.439 3.001 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000270904561 378411837 /nfs/dbraw/zinc/41/18/37/378411837.db2.gz RTZVJEWWCSERKM-OAHLLOKOSA-N 2 2 275.783 3.292 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000270904561 378411844 /nfs/dbraw/zinc/41/18/44/378411844.db2.gz RTZVJEWWCSERKM-OAHLLOKOSA-N 2 2 275.783 3.292 20 0 CGADLP C[C@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270924390 378414128 /nfs/dbraw/zinc/41/41/28/378414128.db2.gz VTCMYYCCFPTLHI-CQSZACIVSA-N 2 2 255.365 3.109 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270924390 378414132 /nfs/dbraw/zinc/41/41/32/378414132.db2.gz VTCMYYCCFPTLHI-CQSZACIVSA-N 2 2 255.365 3.109 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCCc4occc4C3)c2)c[nH+]1 ZINC000584417458 378382222 /nfs/dbraw/zinc/38/22/22/378382222.db2.gz KLBTXWNPVSOKDW-UHFFFAOYSA-N 2 2 299.399 3.475 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCCc4occc4C3)c2)c[nH+]1 ZINC000584417458 378382231 /nfs/dbraw/zinc/38/22/31/378382231.db2.gz KLBTXWNPVSOKDW-UHFFFAOYSA-N 2 2 299.399 3.475 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000346059460 378451619 /nfs/dbraw/zinc/45/16/19/378451619.db2.gz CAZRGXSWKWELDE-KRWDZBQOSA-N 2 2 287.451 3.214 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346137375 378476185 /nfs/dbraw/zinc/47/61/85/378476185.db2.gz VBBFXFAORNHFFF-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346137375 378476192 /nfs/dbraw/zinc/47/61/92/378476192.db2.gz VBBFXFAORNHFFF-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162394 378486533 /nfs/dbraw/zinc/48/65/33/378486533.db2.gz GDLUDIFFXVVJAO-TXEJJXNPSA-N 2 2 261.394 3.307 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162394 378486535 /nfs/dbraw/zinc/48/65/35/378486535.db2.gz GDLUDIFFXVVJAO-TXEJJXNPSA-N 2 2 261.394 3.307 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162395 378486725 /nfs/dbraw/zinc/48/67/25/378486725.db2.gz GDLUDIFFXVVJAO-VXGBXAGGSA-N 2 2 261.394 3.307 20 0 CGADLP Fc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)cc1 ZINC000346276771 378530728 /nfs/dbraw/zinc/53/07/28/378530728.db2.gz MMQITCZRQXQTFH-UHFFFAOYSA-N 2 2 273.355 3.081 20 0 CGADLP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501480 378597763 /nfs/dbraw/zinc/59/77/63/378597763.db2.gz OYEUVXKKSWDQSV-XHSDSOJGSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501480 378597768 /nfs/dbraw/zinc/59/77/68/378597768.db2.gz OYEUVXKKSWDQSV-XHSDSOJGSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501480 378597773 /nfs/dbraw/zinc/59/77/73/378597773.db2.gz OYEUVXKKSWDQSV-XHSDSOJGSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501480 378597778 /nfs/dbraw/zinc/59/77/78/378597778.db2.gz OYEUVXKKSWDQSV-XHSDSOJGSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000346501477 378597963 /nfs/dbraw/zinc/59/79/63/378597963.db2.gz OYEUVXKKSWDQSV-JYJNAYRXSA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000346501477 378597965 /nfs/dbraw/zinc/59/79/65/378597965.db2.gz OYEUVXKKSWDQSV-JYJNAYRXSA-N 2 2 282.472 3.139 20 0 CGADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000638021956 378673287 /nfs/dbraw/zinc/67/32/87/378673287.db2.gz FPPRKWSGMAEFPS-OAHLLOKOSA-N 2 2 293.480 3.231 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000638021956 378673292 /nfs/dbraw/zinc/67/32/92/378673292.db2.gz FPPRKWSGMAEFPS-OAHLLOKOSA-N 2 2 293.480 3.231 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000346681274 378673528 /nfs/dbraw/zinc/67/35/28/378673528.db2.gz CTYSASBXIUHVQK-UHFFFAOYSA-N 2 2 276.424 3.051 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000346681274 378673535 /nfs/dbraw/zinc/67/35/35/378673535.db2.gz CTYSASBXIUHVQK-UHFFFAOYSA-N 2 2 276.424 3.051 20 0 CGADLP Cn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000637952830 378642674 /nfs/dbraw/zinc/64/26/74/378642674.db2.gz OAJJJYKTJJIGAT-HNNXBMFYSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000637952830 378642680 /nfs/dbraw/zinc/64/26/80/378642680.db2.gz OAJJJYKTJJIGAT-HNNXBMFYSA-N 2 2 294.402 3.281 20 0 CGADLP CO[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CC(C)C ZINC000638418865 378797343 /nfs/dbraw/zinc/79/73/43/378797343.db2.gz GMUDEAJUOQKIPT-INIZCTEOSA-N 2 2 287.407 3.023 20 0 CGADLP CC(C)C1(C)CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348194346 378834336 /nfs/dbraw/zinc/83/43/36/378834336.db2.gz RWBLAYGWYYOKSM-UHFFFAOYSA-N 2 2 295.496 3.463 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000266240278 190242549 /nfs/dbraw/zinc/24/25/49/190242549.db2.gz XEBHMMKSXJSKHX-UHFFFAOYSA-N 2 2 298.430 3.385 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc2ccccc2o1)C(C)(C)C ZINC000638602345 378848355 /nfs/dbraw/zinc/84/83/55/378848355.db2.gz BVTUWXFPJFKWHP-HNNXBMFYSA-N 2 2 289.423 3.284 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638689600 378871891 /nfs/dbraw/zinc/87/18/91/378871891.db2.gz MKAWMXBCEKZISE-WMLDXEAASA-N 2 2 287.407 3.338 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000348293450 378890789 /nfs/dbraw/zinc/89/07/89/378890789.db2.gz PDLLIVLGPUCXLS-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000346980197 218076904 /nfs/dbraw/zinc/07/69/04/218076904.db2.gz KANMPAIRUINDOM-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000348346368 378920358 /nfs/dbraw/zinc/92/03/58/378920358.db2.gz CKXDVMCGCGGBJF-HUUCEWRRSA-N 2 2 290.455 3.217 20 0 CGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000348346368 378920365 /nfs/dbraw/zinc/92/03/65/378920365.db2.gz CKXDVMCGCGGBJF-HUUCEWRRSA-N 2 2 290.455 3.217 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)c[nH+]1 ZINC000348523397 378976356 /nfs/dbraw/zinc/97/63/56/378976356.db2.gz DNBVMROOCWQKJY-MSOLQXFVSA-N 2 2 299.418 3.001 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347034027 218099181 /nfs/dbraw/zinc/09/91/81/218099181.db2.gz FLHOGMBFJFWBKW-GOSISDBHSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347034027 218099182 /nfs/dbraw/zinc/09/91/82/218099182.db2.gz FLHOGMBFJFWBKW-GOSISDBHSA-N 2 2 281.403 3.062 20 0 CGADLP c1c2ccccc2oc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347126340 218131927 /nfs/dbraw/zinc/13/19/27/218131927.db2.gz SXTSKXIEXPEXPB-MRXNPFEDSA-N 2 2 294.354 3.481 20 0 CGADLP c1c2ccccc2oc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347126340 218131930 /nfs/dbraw/zinc/13/19/30/218131930.db2.gz SXTSKXIEXPEXPB-MRXNPFEDSA-N 2 2 294.354 3.481 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@@H+]1C ZINC000278675305 194097614 /nfs/dbraw/zinc/09/76/14/194097614.db2.gz GCLUMGHCUYNBMG-MWLCHTKSSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@H+]1C ZINC000278675305 194097616 /nfs/dbraw/zinc/09/76/16/194097616.db2.gz GCLUMGHCUYNBMG-MWLCHTKSSA-N 2 2 288.769 3.191 20 0 CGADLP CCCC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348834852 379074014 /nfs/dbraw/zinc/07/40/14/379074014.db2.gz QXCZABZZCKYRJC-ZDUSSCGKSA-N 2 2 258.369 3.317 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000347419217 218228275 /nfs/dbraw/zinc/22/82/75/218228275.db2.gz CNDARYNDAWZDLD-AWEZNQCLSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000347419217 218228277 /nfs/dbraw/zinc/22/82/77/218228277.db2.gz CNDARYNDAWZDLD-AWEZNQCLSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000347419225 218228364 /nfs/dbraw/zinc/22/83/64/218228364.db2.gz CNDARYNDAWZDLD-CQSZACIVSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000347419225 218228366 /nfs/dbraw/zinc/22/83/66/218228366.db2.gz CNDARYNDAWZDLD-CQSZACIVSA-N 2 2 281.359 3.156 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411588 379158748 /nfs/dbraw/zinc/15/87/48/379158748.db2.gz ASSUDUBDHHEOIR-MAUKXSAKSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411588 379158758 /nfs/dbraw/zinc/15/87/58/379158758.db2.gz ASSUDUBDHHEOIR-MAUKXSAKSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411588 379158768 /nfs/dbraw/zinc/15/87/68/379158768.db2.gz ASSUDUBDHHEOIR-MAUKXSAKSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411588 379158775 /nfs/dbraw/zinc/15/87/75/379158775.db2.gz ASSUDUBDHHEOIR-MAUKXSAKSA-N 2 2 298.434 3.067 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000349128896 379164531 /nfs/dbraw/zinc/16/45/31/379164531.db2.gz LKTCUDGBUDYOQP-LBPRGKRZSA-N 2 2 299.349 3.295 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000349128896 379164540 /nfs/dbraw/zinc/16/45/40/379164540.db2.gz LKTCUDGBUDYOQP-LBPRGKRZSA-N 2 2 299.349 3.295 20 0 CGADLP COc1cccc2c1CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)C2 ZINC000277354018 379138009 /nfs/dbraw/zinc/13/80/09/379138009.db2.gz ZHEBHJXVESFISH-QGZVFWFLSA-N 2 2 296.414 3.088 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349196941 379186910 /nfs/dbraw/zinc/18/69/10/379186910.db2.gz VGYYLJUQVYCXCO-QLFBSQMISA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349196941 379186915 /nfs/dbraw/zinc/18/69/15/379186915.db2.gz VGYYLJUQVYCXCO-QLFBSQMISA-N 2 2 261.413 3.036 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000277617585 379200967 /nfs/dbraw/zinc/20/09/67/379200967.db2.gz JSCUJKDOQBGVEM-JSGCOSHPSA-N 2 2 280.362 3.037 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000277617585 379200970 /nfs/dbraw/zinc/20/09/70/379200970.db2.gz JSCUJKDOQBGVEM-JSGCOSHPSA-N 2 2 280.362 3.037 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000373488750 379286633 /nfs/dbraw/zinc/28/66/33/379286633.db2.gz HYIDNSFVAMDSBZ-HOTGVXAUSA-N 2 2 287.451 3.072 20 0 CGADLP c1ccc2oc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000639336560 379291392 /nfs/dbraw/zinc/29/13/92/379291392.db2.gz CXKWGXPINYKTRH-OAHLLOKOSA-N 2 2 299.418 3.039 20 0 CGADLP c1ccc2oc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000639336560 379291399 /nfs/dbraw/zinc/29/13/99/379291399.db2.gz CXKWGXPINYKTRH-OAHLLOKOSA-N 2 2 299.418 3.039 20 0 CGADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)CC2CC2)c1 ZINC000349370733 379253979 /nfs/dbraw/zinc/25/39/79/379253979.db2.gz RZXONJSSGMZNMH-UHFFFAOYSA-N 2 2 289.810 3.449 20 0 CGADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)CC2CC2)c1 ZINC000349370733 379253982 /nfs/dbraw/zinc/25/39/82/379253982.db2.gz RZXONJSSGMZNMH-UHFFFAOYSA-N 2 2 289.810 3.449 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337416400 284772847 /nfs/dbraw/zinc/77/28/47/284772847.db2.gz ZNORAZAZMYXROB-KYJSFNMBSA-N 2 2 294.483 3.044 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCC1CC1 ZINC000349387374 379264568 /nfs/dbraw/zinc/26/45/68/379264568.db2.gz VDRZEGUPEZQPFZ-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCC1CC1 ZINC000349387374 379264579 /nfs/dbraw/zinc/26/45/79/379264579.db2.gz VDRZEGUPEZQPFZ-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)ccc1F ZINC000349415197 379272797 /nfs/dbraw/zinc/27/27/97/379272797.db2.gz HWKOZZGWIVLHHJ-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)ccc1F ZINC000349415197 379272812 /nfs/dbraw/zinc/27/28/12/379272812.db2.gz HWKOZZGWIVLHHJ-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000349641995 379325768 /nfs/dbraw/zinc/32/57/68/379325768.db2.gz AKTGRPYVXIGQFO-SUMWQHHRSA-N 2 2 290.476 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000349641995 379325773 /nfs/dbraw/zinc/32/57/73/379325773.db2.gz AKTGRPYVXIGQFO-SUMWQHHRSA-N 2 2 290.476 3.371 20 0 CGADLP c1csc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278278101 379334642 /nfs/dbraw/zinc/33/46/42/379334642.db2.gz APTJWHLVPWPBIL-ZIAGYGMSSA-N 2 2 296.505 3.228 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC1CCOCC1 ZINC000374165678 379388004 /nfs/dbraw/zinc/38/80/04/379388004.db2.gz ZZMBTWKMUCKBFJ-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC1CCOCC1 ZINC000374165678 379388016 /nfs/dbraw/zinc/38/80/16/379388016.db2.gz ZZMBTWKMUCKBFJ-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC1CCOCC1 ZINC000374165678 379388025 /nfs/dbraw/zinc/38/80/25/379388025.db2.gz ZZMBTWKMUCKBFJ-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC1CCOCC1 ZINC000374165678 379388030 /nfs/dbraw/zinc/38/80/30/379388030.db2.gz ZZMBTWKMUCKBFJ-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCSC(C)(C)C ZINC000278967788 194234115 /nfs/dbraw/zinc/23/41/15/194234115.db2.gz OGZFHJKWZMABSB-UHFFFAOYSA-N 2 2 266.454 3.444 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000279773385 379512348 /nfs/dbraw/zinc/51/23/48/379512348.db2.gz SNOASYXTYKNOHY-LAQRGFTBSA-N 2 2 290.451 3.081 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000279773385 379512354 /nfs/dbraw/zinc/51/23/54/379512354.db2.gz SNOASYXTYKNOHY-LAQRGFTBSA-N 2 2 290.451 3.081 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)[nH]1 ZINC000266909715 190290259 /nfs/dbraw/zinc/29/02/59/190290259.db2.gz IPSZNHHAVNDDSR-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)[nH]1 ZINC000266909715 190290260 /nfs/dbraw/zinc/29/02/60/190290260.db2.gz IPSZNHHAVNDDSR-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1csc(C)n1)CCC2 ZINC000376527057 379573571 /nfs/dbraw/zinc/57/35/71/379573571.db2.gz DXPXSXYELLOBQG-WCQYABFASA-N 2 2 290.436 3.185 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000639776467 379575971 /nfs/dbraw/zinc/57/59/71/379575971.db2.gz MSLZAOAJPOHKDT-MRXNPFEDSA-N 2 2 270.380 3.067 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000639776467 379575979 /nfs/dbraw/zinc/57/59/79/379575979.db2.gz MSLZAOAJPOHKDT-MRXNPFEDSA-N 2 2 270.380 3.067 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000639988066 379680262 /nfs/dbraw/zinc/68/02/62/379680262.db2.gz NATKZIVELSOKGZ-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377774690 379738947 /nfs/dbraw/zinc/73/89/47/379738947.db2.gz HPEISEKEZAJOCW-HNNXBMFYSA-N 2 2 269.392 3.009 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377774690 379738956 /nfs/dbraw/zinc/73/89/56/379738956.db2.gz HPEISEKEZAJOCW-HNNXBMFYSA-N 2 2 269.392 3.009 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377783551 379740815 /nfs/dbraw/zinc/74/08/15/379740815.db2.gz ONJYKQDUTKFWJS-JXQTWKCFSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377783551 379740816 /nfs/dbraw/zinc/74/08/16/379740816.db2.gz ONJYKQDUTKFWJS-JXQTWKCFSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000377803783 379743876 /nfs/dbraw/zinc/74/38/76/379743876.db2.gz ZUQVLCRETUSGJA-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)c1 ZINC000377803783 379743879 /nfs/dbraw/zinc/74/38/79/379743879.db2.gz ZUQVLCRETUSGJA-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)c(C)c1)CCC2 ZINC000377836573 379749049 /nfs/dbraw/zinc/74/90/49/379749049.db2.gz CDUPZTGSJHDWML-KRWDZBQOSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)c1 ZINC000352347154 379774497 /nfs/dbraw/zinc/77/44/97/379774497.db2.gz VGXRQFPHFDQESE-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000347755830 218346948 /nfs/dbraw/zinc/34/69/48/218346948.db2.gz YQEJFJFTYKGVQE-HIFRSBDPSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000347755830 218346949 /nfs/dbraw/zinc/34/69/49/218346949.db2.gz YQEJFJFTYKGVQE-HIFRSBDPSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425547 190329218 /nfs/dbraw/zinc/32/92/18/190329218.db2.gz LKHKBIANVRXIMC-HOCLYGCPSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425547 190329219 /nfs/dbraw/zinc/32/92/19/190329219.db2.gz LKHKBIANVRXIMC-HOCLYGCPSA-N 2 2 269.392 3.393 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267447563 190331042 /nfs/dbraw/zinc/33/10/42/190331042.db2.gz QKXPBOFVZNGLRU-HNNXBMFYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267447563 190331043 /nfs/dbraw/zinc/33/10/43/190331043.db2.gz QKXPBOFVZNGLRU-HNNXBMFYSA-N 2 2 269.392 3.406 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000378167953 379787021 /nfs/dbraw/zinc/78/70/21/379787021.db2.gz YOZPXRSIDWDPRF-YOEHRIQHSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378487246 379831093 /nfs/dbraw/zinc/83/10/93/379831093.db2.gz ZCQNOMZTWGIDAV-LBPRGKRZSA-N 2 2 296.374 3.492 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378487246 379831098 /nfs/dbraw/zinc/83/10/98/379831098.db2.gz ZCQNOMZTWGIDAV-LBPRGKRZSA-N 2 2 296.374 3.492 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352546259 379852470 /nfs/dbraw/zinc/85/24/70/379852470.db2.gz SCSNRXLCPOSCHN-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352546259 379852475 /nfs/dbraw/zinc/85/24/75/379852475.db2.gz SCSNRXLCPOSCHN-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716838 379920927 /nfs/dbraw/zinc/92/09/27/379920927.db2.gz HQPZSYMWCYVOIX-CWQOZTLDSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716838 379920932 /nfs/dbraw/zinc/92/09/32/379920932.db2.gz HQPZSYMWCYVOIX-CWQOZTLDSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716838 379920939 /nfs/dbraw/zinc/92/09/39/379920939.db2.gz HQPZSYMWCYVOIX-CWQOZTLDSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716838 379920942 /nfs/dbraw/zinc/92/09/42/379920942.db2.gz HQPZSYMWCYVOIX-CWQOZTLDSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000402353767 379963951 /nfs/dbraw/zinc/96/39/51/379963951.db2.gz ATUTXRNVFVDIBR-HOTGVXAUSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000402353770 379963997 /nfs/dbraw/zinc/96/39/97/379963997.db2.gz ATUTXRNVFVDIBR-HZPDHXFCSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC34CCOCC4)n2c1 ZINC000282583488 379948353 /nfs/dbraw/zinc/94/83/53/379948353.db2.gz GEKDGYQDAYYJOB-MRXNPFEDSA-N 2 2 299.418 3.082 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000400493090 379951300 /nfs/dbraw/zinc/95/13/00/379951300.db2.gz ZWRWTXHGZKLYLP-DYEKYZERSA-N 2 2 258.365 3.224 20 0 CGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352772744 379952527 /nfs/dbraw/zinc/95/25/27/379952527.db2.gz RMAACBSNCQIMOG-HNNXBMFYSA-N 2 2 289.448 3.446 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000352825274 379985606 /nfs/dbraw/zinc/98/56/06/379985606.db2.gz PAECHLTWLYVMMX-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000352825274 379985610 /nfs/dbraw/zinc/98/56/10/379985610.db2.gz PAECHLTWLYVMMX-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000352906168 380030914 /nfs/dbraw/zinc/03/09/14/380030914.db2.gz VXPKFNQNSKPQPL-HXPMCKFVSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000352906168 380030919 /nfs/dbraw/zinc/03/09/19/380030919.db2.gz VXPKFNQNSKPQPL-HXPMCKFVSA-N 2 2 297.446 3.357 20 0 CGADLP CSc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000641715489 380057803 /nfs/dbraw/zinc/05/78/03/380057803.db2.gz VYFMRVCOSVLERR-UHFFFAOYSA-N 2 2 280.437 3.108 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352972281 380061986 /nfs/dbraw/zinc/06/19/86/380061986.db2.gz CJLFUKOBWVPZRQ-FUHWJXTLSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352972281 380061988 /nfs/dbraw/zinc/06/19/88/380061988.db2.gz CJLFUKOBWVPZRQ-FUHWJXTLSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352972281 380061992 /nfs/dbraw/zinc/06/19/92/380061992.db2.gz CJLFUKOBWVPZRQ-FUHWJXTLSA-N 2 2 289.467 3.060 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352972281 380061994 /nfs/dbraw/zinc/06/19/94/380061994.db2.gz CJLFUKOBWVPZRQ-FUHWJXTLSA-N 2 2 289.467 3.060 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000641802975 380113519 /nfs/dbraw/zinc/11/35/19/380113519.db2.gz QHDYKANHGLRGBT-VXGBXAGGSA-N 2 2 293.461 3.087 20 0 CGADLP Cc1ccc2c(C)cc(NCC(C)(C)[NH+](C)C)[nH+]c2c1 ZINC000641936053 380121608 /nfs/dbraw/zinc/12/16/08/380121608.db2.gz YJNMOWWIDGGSKF-UHFFFAOYSA-N 2 2 271.408 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000286357366 380202320 /nfs/dbraw/zinc/20/23/20/380202320.db2.gz FUXQRLBIRQQRNB-SDEBIZQBSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357366 380202325 /nfs/dbraw/zinc/20/23/25/380202325.db2.gz FUXQRLBIRQQRNB-SDEBIZQBSA-N 2 2 292.373 3.193 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353935199 380243799 /nfs/dbraw/zinc/24/37/99/380243799.db2.gz ZIBUAXHRFQDGLG-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353935199 380243801 /nfs/dbraw/zinc/24/38/01/380243801.db2.gz ZIBUAXHRFQDGLG-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2F)c[nH+]1 ZINC000353935126 380243976 /nfs/dbraw/zinc/24/39/76/380243976.db2.gz VJUZODUPJVJJQM-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000414486976 380262807 /nfs/dbraw/zinc/26/28/07/380262807.db2.gz RPSVIHRESCTBRN-GOEBONIOSA-N 2 2 269.392 3.250 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065674 380210449 /nfs/dbraw/zinc/21/04/49/380210449.db2.gz FEJNZDMXLWAUBC-IEBWSBKVSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065674 380210452 /nfs/dbraw/zinc/21/04/52/380210452.db2.gz FEJNZDMXLWAUBC-IEBWSBKVSA-N 2 2 280.415 3.066 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065398 380210681 /nfs/dbraw/zinc/21/06/81/380210681.db2.gz AUZZVKXZKSBZON-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065398 380210683 /nfs/dbraw/zinc/21/06/83/380210683.db2.gz AUZZVKXZKSBZON-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067271 380211239 /nfs/dbraw/zinc/21/12/39/380211239.db2.gz YQHKKBCTFPVRFR-MAUKXSAKSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067271 380211240 /nfs/dbraw/zinc/21/12/40/380211240.db2.gz YQHKKBCTFPVRFR-MAUKXSAKSA-N 2 2 266.388 3.024 20 0 CGADLP CO[C@](C)([C@H](C)[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000414495083 380270064 /nfs/dbraw/zinc/27/00/64/380270064.db2.gz BCRMQURPCCOGOL-WMLDXEAASA-N 2 2 276.424 3.116 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccc(F)cc2)c[nH+]1 ZINC000353911914 380230106 /nfs/dbraw/zinc/23/01/06/380230106.db2.gz HFGVFJXEGJQLNL-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP Cc1ccc(CCC[NH2+]C2CC[NH+](CC(C)C)CC2)c[nH+]1 ZINC000353931452 380242353 /nfs/dbraw/zinc/24/23/53/380242353.db2.gz QDIIFTVYROQLPZ-UHFFFAOYSA-N 3 2 289.467 3.033 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500952 380323167 /nfs/dbraw/zinc/32/31/67/380323167.db2.gz KGOHBGRRBAAGLX-DGCLKSJQSA-N 2 2 282.815 3.141 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]CC[NH2+]C3CC3)ccc2c1 ZINC000643506053 380326980 /nfs/dbraw/zinc/32/69/80/380326980.db2.gz JHZBPBRCZNJBFM-CYBMUJFWSA-N 2 2 284.403 3.251 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643507040 380328100 /nfs/dbraw/zinc/32/81/00/380328100.db2.gz QQMZLABMUICACW-HNNXBMFYSA-N 2 2 294.826 3.204 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507084 380330122 /nfs/dbraw/zinc/33/01/22/380330122.db2.gz RLOGNQDWFUYRPU-OAHLLOKOSA-N 2 2 298.352 3.498 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000414497811 380274517 /nfs/dbraw/zinc/27/45/17/380274517.db2.gz GTXSOCWTQHHTHD-PBHICJAKSA-N 2 2 276.424 3.116 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000643374886 380300708 /nfs/dbraw/zinc/30/07/08/380300708.db2.gz XNDNOJSRBGLPGX-KSZLIROESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000643374886 380300714 /nfs/dbraw/zinc/30/07/14/380300714.db2.gz XNDNOJSRBGLPGX-KSZLIROESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)on1 ZINC000643455019 380307893 /nfs/dbraw/zinc/30/78/93/380307893.db2.gz TXCBYYCZRJOOOM-ARFHVFGLSA-N 2 2 291.439 3.198 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000643548015 380363585 /nfs/dbraw/zinc/36/35/85/380363585.db2.gz LTXMZYGLOUZUGB-GWCFXTLKSA-N 2 2 279.453 3.085 20 0 CGADLP COc1ccc([C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414672644 380363732 /nfs/dbraw/zinc/36/37/32/380363732.db2.gz BBUWIQNJRQITKJ-HIFRSBDPSA-N 2 2 264.413 3.061 20 0 CGADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414672644 380363736 /nfs/dbraw/zinc/36/37/36/380363736.db2.gz BBUWIQNJRQITKJ-HIFRSBDPSA-N 2 2 264.413 3.061 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000414674281 380365955 /nfs/dbraw/zinc/36/59/55/380365955.db2.gz DLWFGJDWFLZTPZ-HOTGVXAUSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000414674281 380365957 /nfs/dbraw/zinc/36/59/57/380365957.db2.gz DLWFGJDWFLZTPZ-HOTGVXAUSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000414678348 380367902 /nfs/dbraw/zinc/36/79/02/380367902.db2.gz QIFWTLIABWJUMQ-CVEARBPZSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000414678348 380367908 /nfs/dbraw/zinc/36/79/08/380367908.db2.gz QIFWTLIABWJUMQ-CVEARBPZSA-N 2 2 278.465 3.150 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)C[C@H]([NH3+])CC(C)C ZINC000414683208 380371279 /nfs/dbraw/zinc/37/12/79/380371279.db2.gz SWGZPMSYFRAFGM-OAHLLOKOSA-N 2 2 252.377 3.021 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1)C[C@H]([NH3+])CC(C)C ZINC000414683208 380371283 /nfs/dbraw/zinc/37/12/83/380371283.db2.gz SWGZPMSYFRAFGM-OAHLLOKOSA-N 2 2 252.377 3.021 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000414688927 380374344 /nfs/dbraw/zinc/37/43/44/380374344.db2.gz KDULDYJVBLBPEE-ROUUACIJSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000414688927 380374350 /nfs/dbraw/zinc/37/43/50/380374350.db2.gz KDULDYJVBLBPEE-ROUUACIJSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000414696739 380378175 /nfs/dbraw/zinc/37/81/75/380378175.db2.gz VXODTDKAMOKNGN-UHFFFAOYSA-N 2 2 290.451 3.166 20 0 CGADLP Cc1csc(C2([NH2+]C[C@H]([NH3+])CC(C)C)CCCC2)n1 ZINC000414717546 380385009 /nfs/dbraw/zinc/38/50/09/380385009.db2.gz ZSCISWYAKDEIJQ-CYBMUJFWSA-N 2 2 281.469 3.184 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)[nH+]1 ZINC000354289906 380388607 /nfs/dbraw/zinc/38/86/07/380388607.db2.gz NUNQMCHTJDGGNJ-QLFBSQMISA-N 2 2 269.392 3.393 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000643526006 380340559 /nfs/dbraw/zinc/34/05/59/380340559.db2.gz MFGYMXOFMUIZSG-MNOVXSKESA-N 2 2 294.345 3.439 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H](C[NH3+])C1 ZINC000414765456 380394552 /nfs/dbraw/zinc/39/45/52/380394552.db2.gz GBKPLHAJTWLBFV-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@H](C[NH3+])C1 ZINC000414765456 380394558 /nfs/dbraw/zinc/39/45/58/380394558.db2.gz GBKPLHAJTWLBFV-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1cccc([C@H]([NH2+]C[C@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000643527493 380342822 /nfs/dbraw/zinc/34/28/22/380342822.db2.gz NOISTLHGSAHFEW-GUYCJALGSA-N 2 2 272.367 3.160 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2c1 ZINC000414657493 380355234 /nfs/dbraw/zinc/35/52/34/380355234.db2.gz KCLRPXHHLSOYLV-BLLLJJGKSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2c1 ZINC000414657493 380355240 /nfs/dbraw/zinc/35/52/40/380355240.db2.gz KCLRPXHHLSOYLV-BLLLJJGKSA-N 2 2 288.391 3.001 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000643538068 380355367 /nfs/dbraw/zinc/35/53/67/380355367.db2.gz XTPSFJYPZNGLPV-YDHLFZDLSA-N 2 2 282.428 3.269 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538844 380355712 /nfs/dbraw/zinc/35/57/12/380355712.db2.gz XOTUBLKBZXJIHU-DZKIICNBSA-N 2 2 296.455 3.093 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414659750 380356741 /nfs/dbraw/zinc/35/67/41/380356741.db2.gz LSYMYWWXCDICQT-OAHLLOKOSA-N 2 2 270.376 3.130 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414659750 380356746 /nfs/dbraw/zinc/35/67/46/380356746.db2.gz LSYMYWWXCDICQT-OAHLLOKOSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000643543490 380357846 /nfs/dbraw/zinc/35/78/46/380357846.db2.gz NSHZGLMROYSZOU-SUMWQHHRSA-N 2 2 290.455 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643545886 380357907 /nfs/dbraw/zinc/35/79/07/380357907.db2.gz DWSOIDHGZQTOKH-WCQYABFASA-N 2 2 280.362 3.290 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1F ZINC000414817730 380428104 /nfs/dbraw/zinc/42/81/04/380428104.db2.gz SWRCNNCXTVNZKQ-GFCCVEGCSA-N 2 2 258.768 3.086 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820748 380431858 /nfs/dbraw/zinc/43/18/58/380431858.db2.gz AZNFJLVZZLOWNE-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414828585 380438369 /nfs/dbraw/zinc/43/83/69/380438369.db2.gz IYLLAYRDFVWVJZ-GOSISDBHSA-N 2 2 284.403 3.263 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2c1 ZINC000414774635 380398931 /nfs/dbraw/zinc/39/89/31/380398931.db2.gz YQRRHLCCOPUUGG-TZMCWYRMSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])cc2c1 ZINC000414774635 380398934 /nfs/dbraw/zinc/39/89/34/380398934.db2.gz YQRRHLCCOPUUGG-TZMCWYRMSA-N 2 2 288.391 3.001 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000414779104 380400872 /nfs/dbraw/zinc/40/08/72/380400872.db2.gz ZOWJFWYHZQAOLU-YJBOKZPZSA-N 2 2 296.414 3.187 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000414779104 380400880 /nfs/dbraw/zinc/40/08/80/380400880.db2.gz ZOWJFWYHZQAOLU-YJBOKZPZSA-N 2 2 296.414 3.187 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000414804564 380415999 /nfs/dbraw/zinc/41/59/99/380415999.db2.gz KXNCRABXFKAANS-GFCCVEGCSA-N 2 2 292.732 3.186 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414804405 380416779 /nfs/dbraw/zinc/41/67/79/380416779.db2.gz XRGBAHWSURENSK-HNNXBMFYSA-N 2 2 258.365 3.020 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414811296 380422587 /nfs/dbraw/zinc/42/25/87/380422587.db2.gz YZKBPOUUMXTVAX-UHFFFAOYSA-N 2 2 295.477 3.479 20 0 CGADLP Cc1ccc(CCC[NH2+]CCSCC(C)C)c[nH+]1 ZINC000354560272 380485756 /nfs/dbraw/zinc/48/57/56/380485756.db2.gz AMOJKPSHJZKCHJ-UHFFFAOYSA-N 2 2 266.454 3.301 20 0 CGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414919841 380489573 /nfs/dbraw/zinc/48/95/73/380489573.db2.gz VRKFUFOUNQKGPS-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)oc2cc1C ZINC000414922939 380491789 /nfs/dbraw/zinc/49/17/89/380491789.db2.gz GOWXJYFCKXWITH-BDJLRTHQSA-N 2 2 272.392 3.137 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@H](C)[NH+]2CCCCC2)c[nH+]1 ZINC000354658551 380518163 /nfs/dbraw/zinc/51/81/63/380518163.db2.gz JHWFYFXGPSSFTE-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP Clc1scc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1Cl ZINC000414860809 380461974 /nfs/dbraw/zinc/46/19/74/380461974.db2.gz VUVUXSHOYSCUNX-QMMMGPOBSA-N 2 2 279.236 3.144 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414867612 380465352 /nfs/dbraw/zinc/46/53/52/380465352.db2.gz GPQJVWCYTKRVFF-UHFFFAOYSA-N 2 2 276.424 3.097 20 0 CGADLP c1ccc(Sc2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2)cc1 ZINC000414888726 380476456 /nfs/dbraw/zinc/47/64/56/380476456.db2.gz SKYFRZGAOXFRJM-HNNXBMFYSA-N 2 2 284.428 3.289 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645094591 380578003 /nfs/dbraw/zinc/57/80/03/380578003.db2.gz CWPPUNYQJAKXNI-JKSUJKDBSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000645094591 380578015 /nfs/dbraw/zinc/57/80/15/380578015.db2.gz CWPPUNYQJAKXNI-JKSUJKDBSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304307 380587602 /nfs/dbraw/zinc/58/76/02/380587602.db2.gz FENDCPUNPODVPZ-PLPKTUSISA-N 2 2 290.476 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304307 380587609 /nfs/dbraw/zinc/58/76/09/380587609.db2.gz FENDCPUNPODVPZ-PLPKTUSISA-N 2 2 290.476 3.455 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CC1)CCC2 ZINC000417357473 380605035 /nfs/dbraw/zinc/60/50/35/380605035.db2.gz RLPCPDJZHIVART-MRXNPFEDSA-N 2 2 258.409 3.056 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000417357237 380605257 /nfs/dbraw/zinc/60/52/57/380605257.db2.gz QWPMZWGBOWUVFT-KRWDZBQOSA-N 2 2 288.410 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSC[C@H](C)C2)c[nH+]1 ZINC000355177661 380611238 /nfs/dbraw/zinc/61/12/38/380611238.db2.gz OJCNUBNVRZJOOY-CYBMUJFWSA-N 2 2 264.438 3.008 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSC[C@H](C)C2)c[nH+]1 ZINC000355177661 380611244 /nfs/dbraw/zinc/61/12/44/380611244.db2.gz OJCNUBNVRZJOOY-CYBMUJFWSA-N 2 2 264.438 3.008 20 0 CGADLP CCC(CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000645388639 380666420 /nfs/dbraw/zinc/66/64/20/380666420.db2.gz ZFCPXIXNOPNTQP-GOEBONIOSA-N 2 2 284.488 3.290 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393677 380667335 /nfs/dbraw/zinc/66/73/35/380667335.db2.gz NAXJHJIITGLLAE-RDJZCZTQSA-N 2 2 292.854 3.345 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393677 380667341 /nfs/dbraw/zinc/66/73/41/380667341.db2.gz NAXJHJIITGLLAE-RDJZCZTQSA-N 2 2 292.854 3.345 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000417840662 380681983 /nfs/dbraw/zinc/68/19/83/380681983.db2.gz LKPKZSPWHZKAED-ZIAGYGMSSA-N 2 2 294.464 3.042 20 0 CGADLP FC(F)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000353715925 220276720 /nfs/dbraw/zinc/27/67/20/220276720.db2.gz XSNPYLHKPNJQEV-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC1(C)C ZINC000418112021 380701814 /nfs/dbraw/zinc/70/18/14/380701814.db2.gz YPRGRBJUZSUSJC-KBPBESRZSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645827252 380744105 /nfs/dbraw/zinc/74/41/05/380744105.db2.gz QJBCQMIEWHFFON-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645827252 380744108 /nfs/dbraw/zinc/74/41/08/380744108.db2.gz QJBCQMIEWHFFON-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645827252 380744112 /nfs/dbraw/zinc/74/41/12/380744112.db2.gz QJBCQMIEWHFFON-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645827252 380744116 /nfs/dbraw/zinc/74/41/16/380744116.db2.gz QJBCQMIEWHFFON-MHORFTMASA-N 2 2 294.483 3.140 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC23CCSCC3)c[nH+]1 ZINC000421368275 380905139 /nfs/dbraw/zinc/90/51/39/380905139.db2.gz BUAXXIMWHVPWLY-INIZCTEOSA-N 2 2 290.476 3.446 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000421377626 380919008 /nfs/dbraw/zinc/91/90/08/380919008.db2.gz UDZZYQQXGPYSAK-AWEZNQCLSA-N 2 2 268.351 3.067 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000357300894 381097259 /nfs/dbraw/zinc/09/72/59/381097259.db2.gz APOZZZASAUAXKR-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C)c1F ZINC000360054038 381426933 /nfs/dbraw/zinc/42/69/33/381426933.db2.gz MLIHEAVBPDDTSC-ZIAGYGMSSA-N 2 2 275.371 3.378 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587827 381584366 /nfs/dbraw/zinc/58/43/66/381584366.db2.gz DICSODFUBHBVGC-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587827 381584371 /nfs/dbraw/zinc/58/43/71/381584371.db2.gz DICSODFUBHBVGC-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCc3ccsc3)CC2)[nH]1 ZINC000360968933 381635136 /nfs/dbraw/zinc/63/51/36/381635136.db2.gz ACGGCZURZKIGBG-UHFFFAOYSA-N 2 2 275.421 3.283 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361349434 381710904 /nfs/dbraw/zinc/71/09/04/381710904.db2.gz VGCWPQCDXBTDMQ-RYQLBKOJSA-N 2 2 295.430 3.231 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361349434 381710907 /nfs/dbraw/zinc/71/09/07/381710907.db2.gz VGCWPQCDXBTDMQ-RYQLBKOJSA-N 2 2 295.430 3.231 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc3ncsc3c2)C1 ZINC000362700847 382100972 /nfs/dbraw/zinc/10/09/72/382100972.db2.gz WCCLRUFJNDAUBE-SLEUVZQESA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc3ncsc3c2)C1 ZINC000362700847 382100976 /nfs/dbraw/zinc/10/09/76/382100976.db2.gz WCCLRUFJNDAUBE-SLEUVZQESA-N 2 2 289.448 3.287 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000227675230 542296643 /nfs/dbraw/zinc/29/66/43/542296643.db2.gz UFKCAONWYZVFGB-ZFWWWQNUSA-N 2 2 269.392 3.473 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000235205796 542311483 /nfs/dbraw/zinc/31/14/83/542311483.db2.gz MQBMFVFCBQQCFL-BXUZGUMPSA-N 2 2 297.240 3.242 20 0 CGADLP CC1(C)CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437123 382348448 /nfs/dbraw/zinc/34/84/48/382348448.db2.gz IAMYRAVNAVLMEA-CQSZACIVSA-N 2 2 261.413 3.278 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000251728648 542347816 /nfs/dbraw/zinc/34/78/16/542347816.db2.gz KHJPHJOJGKRTJW-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000251728648 542347817 /nfs/dbraw/zinc/34/78/17/542347817.db2.gz KHJPHJOJGKRTJW-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250212432 542342049 /nfs/dbraw/zinc/34/20/49/542342049.db2.gz MMSKNQMCXFSZMI-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250212432 542342054 /nfs/dbraw/zinc/34/20/54/542342054.db2.gz MMSKNQMCXFSZMI-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000253162178 542351717 /nfs/dbraw/zinc/35/17/17/542351717.db2.gz VPGFUDFJOZHUIT-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000253162178 542351721 /nfs/dbraw/zinc/35/17/21/542351721.db2.gz VPGFUDFJOZHUIT-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2s1 ZINC000261973644 542355463 /nfs/dbraw/zinc/35/54/63/542355463.db2.gz QPDSLBGKGFJUII-XHDPSFHLSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2s1 ZINC000261973644 542355469 /nfs/dbraw/zinc/35/54/69/542355469.db2.gz QPDSLBGKGFJUII-XHDPSFHLSA-N 2 2 289.448 3.164 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423442256 532994038 /nfs/dbraw/zinc/99/40/38/532994038.db2.gz BLQLMUQLDJKTQT-RDBSUJKOSA-N 2 2 285.391 3.260 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423431757 532993267 /nfs/dbraw/zinc/99/32/67/532993267.db2.gz AVETUPZFLWQCBB-VGMNWLOBSA-N 2 2 292.757 3.328 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306580 208154117 /nfs/dbraw/zinc/15/41/17/208154117.db2.gz HMNFJZJRGIIOID-YMTOWFKASA-N 2 2 288.769 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306580 208154125 /nfs/dbraw/zinc/15/41/25/208154125.db2.gz HMNFJZJRGIIOID-YMTOWFKASA-N 2 2 288.769 3.048 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000442706770 533059035 /nfs/dbraw/zinc/05/90/35/533059035.db2.gz DZGXVPFPZMWGJY-CHWSQXEVSA-N 2 2 275.421 3.344 20 0 CGADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000353744610 220296241 /nfs/dbraw/zinc/29/62/41/220296241.db2.gz GEBMKPFPRUIDKW-ZIAGYGMSSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000353744610 220296245 /nfs/dbraw/zinc/29/62/45/220296245.db2.gz GEBMKPFPRUIDKW-ZIAGYGMSSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000353744610 220296248 /nfs/dbraw/zinc/29/62/48/220296248.db2.gz GEBMKPFPRUIDKW-ZIAGYGMSSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000353744610 220296253 /nfs/dbraw/zinc/29/62/53/220296253.db2.gz GEBMKPFPRUIDKW-ZIAGYGMSSA-N 2 2 264.413 3.147 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273822475 542370332 /nfs/dbraw/zinc/37/03/32/542370332.db2.gz GBEWYXVVBBIPGS-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000273822475 542370336 /nfs/dbraw/zinc/37/03/36/542370336.db2.gz GBEWYXVVBBIPGS-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC2(CCOCC2)CC1 ZINC000289332182 197299783 /nfs/dbraw/zinc/29/97/83/197299783.db2.gz GXDSOFNZIOWWFI-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000285663602 542387641 /nfs/dbraw/zinc/38/76/41/542387641.db2.gz MZVVOSIACMPYDJ-GDBMZVCRSA-N 2 2 286.423 3.143 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000289070438 197227631 /nfs/dbraw/zinc/22/76/31/197227631.db2.gz COGINQOUWGIQCR-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000328507847 542443762 /nfs/dbraw/zinc/44/37/62/542443762.db2.gz MBXYQZCSNVRYIT-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000328507847 542443764 /nfs/dbraw/zinc/44/37/64/542443764.db2.gz MBXYQZCSNVRYIT-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355725 542444220 /nfs/dbraw/zinc/44/42/20/542444220.db2.gz OVPCLHLYUYCDDS-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355725 542444222 /nfs/dbraw/zinc/44/42/22/542444222.db2.gz OVPCLHLYUYCDDS-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000322565944 542440547 /nfs/dbraw/zinc/44/05/47/542440547.db2.gz DTNRWIUHOKDWTJ-QGMOTEBLSA-N 2 2 274.408 3.118 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000322565944 542440550 /nfs/dbraw/zinc/44/05/50/542440550.db2.gz DTNRWIUHOKDWTJ-QGMOTEBLSA-N 2 2 274.408 3.118 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436272143 533207331 /nfs/dbraw/zinc/20/73/31/533207331.db2.gz GHJLGTXZHKCPME-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436272143 533207336 /nfs/dbraw/zinc/20/73/36/533207336.db2.gz GHJLGTXZHKCPME-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000348100228 542514176 /nfs/dbraw/zinc/51/41/76/542514176.db2.gz DBFYLDNTOPTULH-HUUCEWRRSA-N 2 2 259.397 3.052 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348103492 542515478 /nfs/dbraw/zinc/51/54/78/542515478.db2.gz CJJOGACUGORHCZ-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348103492 542515483 /nfs/dbraw/zinc/51/54/83/542515483.db2.gz CJJOGACUGORHCZ-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000349634429 542525856 /nfs/dbraw/zinc/52/58/56/542525856.db2.gz VQHOQCFSHXVUFW-MAUKXSAKSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489199 542579602 /nfs/dbraw/zinc/57/96/02/542579602.db2.gz RDOMLAPWWFGCTR-PBHICJAKSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489199 542579605 /nfs/dbraw/zinc/57/96/05/542579605.db2.gz RDOMLAPWWFGCTR-PBHICJAKSA-N 2 2 296.418 3.341 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414193773 533411942 /nfs/dbraw/zinc/41/19/42/533411942.db2.gz UVGQYVLRVXOSKM-CKEIUWERSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414193773 533411947 /nfs/dbraw/zinc/41/19/47/533411947.db2.gz UVGQYVLRVXOSKM-CKEIUWERSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423231279 533431451 /nfs/dbraw/zinc/43/14/51/533431451.db2.gz ASBCXKMDZBOKKO-BZNIZROVSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449079447 533468111 /nfs/dbraw/zinc/46/81/11/533468111.db2.gz YWSNXUZEGSFOTK-ZDUSSCGKSA-N 2 2 263.429 3.176 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423556758 533518921 /nfs/dbraw/zinc/51/89/21/533518921.db2.gz MPZOFIKKDCBOGC-BXUZGUMPSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424333085 533540190 /nfs/dbraw/zinc/54/01/90/533540190.db2.gz XJKMJNGXZMIKRJ-DOMZBBRYSA-N 2 2 253.349 3.075 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422721175 533621769 /nfs/dbraw/zinc/62/17/69/533621769.db2.gz NKXKLKIMIXVFCX-BBRMVZONSA-N 2 2 271.408 3.015 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000449046698 533653961 /nfs/dbraw/zinc/65/39/61/533653961.db2.gz LTROENOJOKLCRH-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000449046698 533653963 /nfs/dbraw/zinc/65/39/63/533653963.db2.gz LTROENOJOKLCRH-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000379435221 542594157 /nfs/dbraw/zinc/59/41/57/542594157.db2.gz JUVOSZMDQOGAGH-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000379435221 542594162 /nfs/dbraw/zinc/59/41/62/542594162.db2.gz JUVOSZMDQOGAGH-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP FC1(F)CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000380287255 542594759 /nfs/dbraw/zinc/59/47/59/542594759.db2.gz DMTIPMGKLJWSJB-ZDUSSCGKSA-N 2 2 277.318 3.150 20 0 CGADLP CC(C)OCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909749 130038256 /nfs/dbraw/zinc/03/82/56/130038256.db2.gz TYGBHQGMHWCDJI-OAHLLOKOSA-N 2 2 287.407 3.338 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389475360 542608583 /nfs/dbraw/zinc/60/85/83/542608583.db2.gz WAUKJVDVNJSJBM-AQFXKWCLSA-N 2 2 258.409 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389475360 542608585 /nfs/dbraw/zinc/60/85/85/542608585.db2.gz WAUKJVDVNJSJBM-AQFXKWCLSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078180 130180017 /nfs/dbraw/zinc/18/00/17/130180017.db2.gz KFOKMKDPRHJTIP-JKIFEVAISA-N 2 2 285.391 3.090 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000414925219 542640582 /nfs/dbraw/zinc/64/05/82/542640582.db2.gz LOELRQOHRXLIJS-RBSFLKMASA-N 2 2 282.378 3.112 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000054110361 392088321 /nfs/dbraw/zinc/08/83/21/392088321.db2.gz QFURUXSUYXJEED-HNNXBMFYSA-N 2 2 262.441 3.284 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000054110361 392088325 /nfs/dbraw/zinc/08/83/25/392088325.db2.gz QFURUXSUYXJEED-HNNXBMFYSA-N 2 2 262.441 3.284 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000049592544 392054546 /nfs/dbraw/zinc/05/45/46/392054546.db2.gz SINRXSQFSLRZDW-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000049592544 392054552 /nfs/dbraw/zinc/05/45/52/392054552.db2.gz SINRXSQFSLRZDW-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC23CCC3)c[nH+]1 ZINC000282089343 392281469 /nfs/dbraw/zinc/28/14/69/392281469.db2.gz IBWZVMVSXZPDAY-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP CCC[NH+](CCC)CCCC(=O)Nc1cc[nH+]cc1C ZINC000107357347 392321216 /nfs/dbraw/zinc/32/12/16/392321216.db2.gz QMVDAOXTGNAOIM-UHFFFAOYSA-N 2 2 277.412 3.231 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739898 392308501 /nfs/dbraw/zinc/30/85/01/392308501.db2.gz BBORZJZBLAIYAS-CXAGYDPISA-N 2 2 286.419 3.214 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739898 392308504 /nfs/dbraw/zinc/30/85/04/392308504.db2.gz BBORZJZBLAIYAS-CXAGYDPISA-N 2 2 286.419 3.214 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000361824283 392333451 /nfs/dbraw/zinc/33/34/51/392333451.db2.gz BPCAPPPWIXGOMQ-GASCZTMLSA-N 2 2 269.392 3.269 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000361824283 392333457 /nfs/dbraw/zinc/33/34/57/392333457.db2.gz BPCAPPPWIXGOMQ-GASCZTMLSA-N 2 2 269.392 3.269 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2Cl)CC1 ZINC000361834680 392337371 /nfs/dbraw/zinc/33/73/71/392337371.db2.gz WJWRQZWIHLFNGV-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2Cl)CC1 ZINC000361834680 392337377 /nfs/dbraw/zinc/33/73/77/392337377.db2.gz WJWRQZWIHLFNGV-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC12CCC2 ZINC000361836895 392338776 /nfs/dbraw/zinc/33/87/76/392338776.db2.gz IPDJTNNOWPQNSH-UHFFFAOYSA-N 2 2 267.376 3.309 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC12CCC2 ZINC000361836895 392338781 /nfs/dbraw/zinc/33/87/81/392338781.db2.gz IPDJTNNOWPQNSH-UHFFFAOYSA-N 2 2 267.376 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000251234753 131129618 /nfs/dbraw/zinc/12/96/18/131129618.db2.gz CDJVXZPVANQRIP-AVGNSLFASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000251234753 131129619 /nfs/dbraw/zinc/12/96/19/131129619.db2.gz CDJVXZPVANQRIP-AVGNSLFASA-N 2 2 280.362 3.242 20 0 CGADLP COCC1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000291104614 392456988 /nfs/dbraw/zinc/45/69/88/392456988.db2.gz JRTQADJDVSFZOI-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000366942544 392460693 /nfs/dbraw/zinc/46/06/93/392460693.db2.gz FADUMVPZBJFEST-OAHLLOKOSA-N 2 2 283.419 3.330 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cncc(F)c1 ZINC000152255824 392501312 /nfs/dbraw/zinc/50/13/12/392501312.db2.gz DLBWLYCGJXPJAV-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163840361 392605994 /nfs/dbraw/zinc/60/59/94/392605994.db2.gz ZGEDKZDFLILECG-QGZVFWFLSA-N 2 2 281.403 3.469 20 0 CGADLP CC[C@@H](COC)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167876945 392609714 /nfs/dbraw/zinc/60/97/14/392609714.db2.gz FVSDFDSULVPOJO-HOCLYGCPSA-N 2 2 278.440 3.130 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000373022917 392657153 /nfs/dbraw/zinc/65/71/53/392657153.db2.gz VKLBYWQKXSUOMV-MRXNPFEDSA-N 2 2 283.419 3.464 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)COC)c1ccc(Cl)cc1 ZINC000506633307 392728054 /nfs/dbraw/zinc/72/80/54/392728054.db2.gz OVMUOAAYPKDQHF-CZUORRHYSA-N 2 2 298.858 3.347 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)COC)c1ccc(Cl)cc1 ZINC000506633307 392728061 /nfs/dbraw/zinc/72/80/61/392728061.db2.gz OVMUOAAYPKDQHF-CZUORRHYSA-N 2 2 298.858 3.347 20 0 CGADLP c1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553567 392767800 /nfs/dbraw/zinc/76/78/00/392767800.db2.gz DAASPVBLMLJPFF-INIZCTEOSA-N 2 2 270.376 3.197 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479399 392734768 /nfs/dbraw/zinc/73/47/68/392734768.db2.gz FYQXGHDVHLKCLU-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479399 392734776 /nfs/dbraw/zinc/73/47/76/392734776.db2.gz FYQXGHDVHLKCLU-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCC1CC1)CCC2 ZINC000375094180 392736269 /nfs/dbraw/zinc/73/62/69/392736269.db2.gz KXUDRRQWMIJFEL-WFASDCNBSA-N 2 2 261.413 3.237 20 0 CGADLP c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488742 392738951 /nfs/dbraw/zinc/73/89/51/392738951.db2.gz PQGIHIXALSXRBW-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488742 392738953 /nfs/dbraw/zinc/73/89/53/392738953.db2.gz PQGIHIXALSXRBW-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000647531392 392753114 /nfs/dbraw/zinc/75/31/14/392753114.db2.gz SRVQVASHVCTFRY-UHFFFAOYSA-N 2 2 293.461 3.185 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000647531661 392754319 /nfs/dbraw/zinc/75/43/19/392754319.db2.gz PISBGEJPLTXYGD-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000647553547 392765898 /nfs/dbraw/zinc/76/58/98/392765898.db2.gz CPKXNGNVCJRVQG-CWDCEQMOSA-N 2 2 292.373 3.242 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)C1CCC1 ZINC000647363719 392708024 /nfs/dbraw/zinc/70/80/24/392708024.db2.gz IJOOHZJXVJYERS-MRXNPFEDSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365048 392708198 /nfs/dbraw/zinc/70/81/98/392708198.db2.gz XRJCDLYKOUFJLE-GXTWGEPZSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC3(C)C)cn21 ZINC000647364849 392708501 /nfs/dbraw/zinc/70/85/01/392708501.db2.gz OZBNWTQCJIOUSG-HNNXBMFYSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647363574 392709024 /nfs/dbraw/zinc/70/90/24/392709024.db2.gz DFPGBEWYYDYWRI-HOCLYGCPSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000335347840 392790065 /nfs/dbraw/zinc/79/00/65/392790065.db2.gz BMENDWRLYJNKKN-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000335347840 392790073 /nfs/dbraw/zinc/79/00/73/392790073.db2.gz BMENDWRLYJNKKN-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCc1ccc3ccccc3c1)C2 ZINC000647933307 392835871 /nfs/dbraw/zinc/83/58/71/392835871.db2.gz JSVZRWRZNASXCE-UHFFFAOYSA-N 2 2 277.371 3.164 20 0 CGADLP c1[nH]c2c([nH+]1)CC[N@H+](CCc1ccc3ccccc3c1)C2 ZINC000647933307 392835873 /nfs/dbraw/zinc/83/58/73/392835873.db2.gz JSVZRWRZNASXCE-UHFFFAOYSA-N 2 2 277.371 3.164 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449147 392886896 /nfs/dbraw/zinc/88/68/96/392886896.db2.gz RYWGTYXSEALCBV-KGLIPLIRSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449147 392886906 /nfs/dbraw/zinc/88/69/06/392886906.db2.gz RYWGTYXSEALCBV-KGLIPLIRSA-N 2 2 279.403 3.147 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029151 392896612 /nfs/dbraw/zinc/89/66/12/392896612.db2.gz FYDLHPWZAFTBTO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029151 392896618 /nfs/dbraw/zinc/89/66/18/392896618.db2.gz FYDLHPWZAFTBTO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029151 392896621 /nfs/dbraw/zinc/89/66/21/392896621.db2.gz FYDLHPWZAFTBTO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029151 392896626 /nfs/dbraw/zinc/89/66/26/392896626.db2.gz FYDLHPWZAFTBTO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000336497273 392859673 /nfs/dbraw/zinc/85/96/73/392859673.db2.gz HBSJEYRDIKKLJM-DGCLKSJQSA-N 2 2 275.421 3.227 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCCCCC1)CCC2 ZINC000336528618 392860748 /nfs/dbraw/zinc/86/07/48/392860748.db2.gz HUDKXDJYWJZNDA-AWEZNQCLSA-N 2 2 261.413 3.381 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000513761756 542732843 /nfs/dbraw/zinc/73/28/43/542732843.db2.gz OFWZDBAENWSNIK-ULQDDVLXSA-N 2 2 260.425 3.314 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000513673674 542733188 /nfs/dbraw/zinc/73/31/88/542733188.db2.gz VPQHNKSWCYOPRJ-LSDHHAIUSA-N 2 2 271.408 3.369 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000514082826 542733760 /nfs/dbraw/zinc/73/37/60/542733760.db2.gz ISSAUZZYMXEGIU-JKSUJKDBSA-N 2 2 296.524 3.372 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514086981 542734057 /nfs/dbraw/zinc/73/40/57/542734057.db2.gz DXWWTCKNRVOYNB-ZWKOTPCHSA-N 2 2 297.446 3.498 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000340198270 392967162 /nfs/dbraw/zinc/96/71/62/392967162.db2.gz JPEBPQAPNXFWQQ-DLBZAZTESA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000340198270 392967166 /nfs/dbraw/zinc/96/71/66/392967166.db2.gz JPEBPQAPNXFWQQ-DLBZAZTESA-N 2 2 270.376 3.205 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000648366965 392984583 /nfs/dbraw/zinc/98/45/83/392984583.db2.gz ZNHFMVSITBOBOS-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000648366965 392984587 /nfs/dbraw/zinc/98/45/87/392984587.db2.gz ZNHFMVSITBOBOS-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000648449099 393022168 /nfs/dbraw/zinc/02/21/68/393022168.db2.gz OAQVZTHGGCYPMX-RHSMWYFYSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000648449099 393022174 /nfs/dbraw/zinc/02/21/74/393022174.db2.gz OAQVZTHGGCYPMX-RHSMWYFYSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000346706581 393092702 /nfs/dbraw/zinc/09/27/02/393092702.db2.gz OBNPPKHQSWWDAQ-QCODTGAPSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000346706581 393092705 /nfs/dbraw/zinc/09/27/05/393092705.db2.gz OBNPPKHQSWWDAQ-QCODTGAPSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804897 393094894 /nfs/dbraw/zinc/09/48/94/393094894.db2.gz YQGYLGRDNQFOJP-HDMKZQKVSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804897 393094904 /nfs/dbraw/zinc/09/49/04/393094904.db2.gz YQGYLGRDNQFOJP-HDMKZQKVSA-N 2 2 298.434 3.006 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000415035420 393104971 /nfs/dbraw/zinc/10/49/71/393104971.db2.gz IWYVQADMOPUGFE-ZDUSSCGKSA-N 2 2 279.453 3.031 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000414179232 393041973 /nfs/dbraw/zinc/04/19/73/393041973.db2.gz ABYLKJWTZPILGE-UTXMOHQDSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000414179232 393041976 /nfs/dbraw/zinc/04/19/76/393041976.db2.gz ABYLKJWTZPILGE-UTXMOHQDSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[NH2+]1 ZINC000414949276 393057905 /nfs/dbraw/zinc/05/79/05/393057905.db2.gz NKKLOOVZTYIUSX-QWRGUYRKSA-N 2 2 293.461 3.102 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415056251 393116855 /nfs/dbraw/zinc/11/68/55/393116855.db2.gz SBWHSQRXUPDPND-SWLSCSKDSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415056251 393116860 /nfs/dbraw/zinc/11/68/60/393116860.db2.gz SBWHSQRXUPDPND-SWLSCSKDSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s2)o1 ZINC000415056439 393117099 /nfs/dbraw/zinc/11/70/99/393117099.db2.gz QDVBFDPIABMVSN-ZDUSSCGKSA-N 2 2 293.436 3.175 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CCCc1ccc(C)nc1 ZINC000415062180 393122234 /nfs/dbraw/zinc/12/22/34/393122234.db2.gz DSJCRLJJAFUETB-LJQANCHMSA-N 2 2 297.446 3.175 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccs1 ZINC000415065528 393123563 /nfs/dbraw/zinc/12/35/63/393123563.db2.gz MYVJPWXBTCQENM-OAHLLOKOSA-N 2 2 260.406 3.100 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCCC1 ZINC000415068924 393126834 /nfs/dbraw/zinc/12/68/34/393126834.db2.gz RSBBAJBIXLPNNA-CQSZACIVSA-N 2 2 270.779 3.086 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccsc1Cl)C1CCCC1 ZINC000415070784 393128705 /nfs/dbraw/zinc/12/87/05/393128705.db2.gz VNWBWOJRBPXFJL-LLVKDONJSA-N 2 2 258.818 3.009 20 0 CGADLP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415120484 393151457 /nfs/dbraw/zinc/15/14/57/393151457.db2.gz YGAQPQRDLJRFMH-AWEZNQCLSA-N 2 2 298.352 3.079 20 0 CGADLP Cc1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000415282488 393163870 /nfs/dbraw/zinc/16/38/70/393163870.db2.gz MKUAKPMDDFHEQL-GFCCVEGCSA-N 2 2 298.390 3.040 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353447480 393223895 /nfs/dbraw/zinc/22/38/95/393223895.db2.gz METFCKUZTQMBLJ-INIZCTEOSA-N 2 2 292.471 3.351 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353447480 393223903 /nfs/dbraw/zinc/22/39/03/393223903.db2.gz METFCKUZTQMBLJ-INIZCTEOSA-N 2 2 292.471 3.351 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560787 393200809 /nfs/dbraw/zinc/20/08/09/393200809.db2.gz RQKCGLDWHIRFGR-FZMZJTMJSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560787 393200816 /nfs/dbraw/zinc/20/08/16/393200816.db2.gz RQKCGLDWHIRFGR-FZMZJTMJSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)F ZINC000647225832 393397684 /nfs/dbraw/zinc/39/76/84/393397684.db2.gz DIAGBQZPCHKIPH-SQWLQELKSA-N 2 2 296.405 3.388 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)F ZINC000647225832 393397690 /nfs/dbraw/zinc/39/76/90/393397690.db2.gz DIAGBQZPCHKIPH-SQWLQELKSA-N 2 2 296.405 3.388 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)F ZINC000647226856 393398231 /nfs/dbraw/zinc/39/82/31/393398231.db2.gz ZKFXQKWNCDJJLD-JTQLQIEISA-N 2 2 285.363 3.315 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000474802813 393349808 /nfs/dbraw/zinc/34/98/08/393349808.db2.gz TXYPLKWNJUPVQO-OWCLPIDISA-N 2 2 284.513 3.228 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000647166273 393364788 /nfs/dbraw/zinc/36/47/88/393364788.db2.gz GTZXIRMCBSXFRG-MRXNPFEDSA-N 2 2 296.405 3.327 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647183194 393374585 /nfs/dbraw/zinc/37/45/85/393374585.db2.gz MSAWVXVWIYTWFN-CQSZACIVSA-N 2 2 274.399 3.418 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647183194 393374588 /nfs/dbraw/zinc/37/45/88/393374588.db2.gz MSAWVXVWIYTWFN-CQSZACIVSA-N 2 2 274.399 3.418 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)c2)c[nH+]1 ZINC000647257311 393417108 /nfs/dbraw/zinc/41/71/08/393417108.db2.gz ZBJANZIBRXMJIG-JHJVBQTASA-N 2 2 273.405 3.212 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cccs3)cn21 ZINC000647262368 393420793 /nfs/dbraw/zinc/42/07/93/393420793.db2.gz YTDWBCKZGVEFLD-UHFFFAOYSA-N 2 2 271.389 3.037 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000356330674 393421061 /nfs/dbraw/zinc/42/10/61/393421061.db2.gz CLPUWHGXVCBWFB-LLVKDONJSA-N 2 2 293.461 3.193 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000356330674 393421065 /nfs/dbraw/zinc/42/10/65/393421065.db2.gz CLPUWHGXVCBWFB-LLVKDONJSA-N 2 2 293.461 3.193 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000420283587 393450186 /nfs/dbraw/zinc/45/01/86/393450186.db2.gz CFAFJBHWTBPFLZ-SWLSCSKDSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000420283587 393450189 /nfs/dbraw/zinc/45/01/89/393450189.db2.gz CFAFJBHWTBPFLZ-SWLSCSKDSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427865290 393457371 /nfs/dbraw/zinc/45/73/71/393457371.db2.gz NCAGVULDSOAMRT-SOUVJXGZSA-N 2 2 263.429 3.248 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000420327835 393468914 /nfs/dbraw/zinc/46/89/14/393468914.db2.gz ZGVBLPWVNPKGCR-DGCLKSJQSA-N 2 2 289.448 3.459 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000420327835 393468917 /nfs/dbraw/zinc/46/89/17/393468917.db2.gz ZGVBLPWVNPKGCR-DGCLKSJQSA-N 2 2 289.448 3.459 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488198115 393470119 /nfs/dbraw/zinc/47/01/19/393470119.db2.gz JCIDNNCPQAGJJD-HNNXBMFYSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488198115 393470126 /nfs/dbraw/zinc/47/01/26/393470126.db2.gz JCIDNNCPQAGJJD-HNNXBMFYSA-N 2 2 299.418 3.180 20 0 CGADLP c1cn(C2CC[NH+](CCC3=CCCCC3)CC2)c[nH+]1 ZINC000450477885 285534891 /nfs/dbraw/zinc/53/48/91/285534891.db2.gz YNXCSOUBZYNVIG-UHFFFAOYSA-N 2 2 259.397 3.411 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000420362508 393474686 /nfs/dbraw/zinc/47/46/86/393474686.db2.gz AUBBFCNEPFDHBZ-RHSMWYFYSA-N 2 2 254.377 3.021 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000488349440 393492868 /nfs/dbraw/zinc/49/28/68/393492868.db2.gz OZPVKSSVUWADLD-DJIMGWMZSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488404534 393500473 /nfs/dbraw/zinc/50/04/73/393500473.db2.gz GHBLDYQPCBDFSD-QLFBSQMISA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488404534 393500483 /nfs/dbraw/zinc/50/04/83/393500483.db2.gz GHBLDYQPCBDFSD-QLFBSQMISA-N 2 2 284.513 3.228 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000488435485 393512351 /nfs/dbraw/zinc/51/23/51/393512351.db2.gz AAFBFDJSHHSHIY-JCGIZDLHSA-N 2 2 272.436 3.069 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000488435485 393512356 /nfs/dbraw/zinc/51/23/56/393512356.db2.gz AAFBFDJSHHSHIY-JCGIZDLHSA-N 2 2 272.436 3.069 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358160333 393520319 /nfs/dbraw/zinc/52/03/19/393520319.db2.gz DFEGSYACZPCAGJ-ZSHCYNCHSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000358160333 393520323 /nfs/dbraw/zinc/52/03/23/393520323.db2.gz DFEGSYACZPCAGJ-ZSHCYNCHSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)CCC2 ZINC000358573093 393526067 /nfs/dbraw/zinc/52/60/67/393526067.db2.gz QQQMWGABXBDHQL-SYAUCNOPSA-N 2 2 275.440 3.483 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000488557253 393538235 /nfs/dbraw/zinc/53/82/35/393538235.db2.gz JKRRFTNLPKKULU-KBPBESRZSA-N 2 2 293.480 3.393 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768519 542814404 /nfs/dbraw/zinc/81/44/04/542814404.db2.gz IIEGPMIZOFUELZ-CYBMUJFWSA-N 2 2 279.453 3.032 20 0 CGADLP Fc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000666768176 542814821 /nfs/dbraw/zinc/81/48/21/542814821.db2.gz AMVMNMRXUQUFMN-CYBMUJFWSA-N 2 2 290.304 3.076 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000360779616 393587135 /nfs/dbraw/zinc/58/71/35/393587135.db2.gz BDMOTPYIXJHQMY-LUXYFRNMSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000360779616 393587141 /nfs/dbraw/zinc/58/71/41/393587141.db2.gz BDMOTPYIXJHQMY-LUXYFRNMSA-N 2 2 290.426 3.392 20 0 CGADLP Cc1ccc(C2CCN(CC[NH+]3CCCCC3)CC2)c[nH+]1 ZINC000360996675 393633274 /nfs/dbraw/zinc/63/32/74/393633274.db2.gz DCPPNGAUDQSHKY-UHFFFAOYSA-N 2 2 287.451 3.055 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000422718901 393640716 /nfs/dbraw/zinc/64/07/16/393640716.db2.gz XZZRWVCUCDDRSS-OIISXLGYSA-N 2 2 282.472 3.092 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CCC[NH2+]1 ZINC000423050841 393648886 /nfs/dbraw/zinc/64/88/86/393648886.db2.gz MQXXSRRVPMIRGG-MJBXVCDLSA-N 2 2 264.438 3.246 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423196627 393655155 /nfs/dbraw/zinc/65/51/55/393655155.db2.gz VSZJKABUZLSTOH-RDJZCZTQSA-N 2 2 288.435 3.365 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000666909251 542825549 /nfs/dbraw/zinc/82/55/49/542825549.db2.gz AFZBYEOIPAYMJN-ZDUSSCGKSA-N 2 2 278.783 3.427 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423267514 393657129 /nfs/dbraw/zinc/65/71/29/393657129.db2.gz TVZPRSPCFMGDAX-SMDDNHRTSA-N 2 2 282.428 3.326 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423369938 393663894 /nfs/dbraw/zinc/66/38/94/393663894.db2.gz CTIQTXMKSKBQJO-BXUZGUMPSA-N 2 2 282.815 3.141 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000423370712 393664132 /nfs/dbraw/zinc/66/41/32/393664132.db2.gz DUGIBOPHVGQLHD-UKRRQHHQSA-N 2 2 264.413 3.042 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423476897 393669851 /nfs/dbraw/zinc/66/98/51/393669851.db2.gz SVLAGQWNLPKIJZ-JOYOIKCWSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@@H+]1C ZINC000491214742 393673109 /nfs/dbraw/zinc/67/31/09/393673109.db2.gz ZJPVSKYFEMIQCC-KDOFPFPSSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@H+]1C ZINC000491214742 393673115 /nfs/dbraw/zinc/67/31/15/393673115.db2.gz ZJPVSKYFEMIQCC-KDOFPFPSSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CCSCC1)[NH+](C)C ZINC000443198612 393748666 /nfs/dbraw/zinc/74/86/66/393748666.db2.gz RRYZBVOQBRELIG-RHSMWYFYSA-N 2 2 292.492 3.471 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218665 393749626 /nfs/dbraw/zinc/74/96/26/393749626.db2.gz YCBIBLOBCGWMGM-NYTXWWLZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218665 393749631 /nfs/dbraw/zinc/74/96/31/393749631.db2.gz YCBIBLOBCGWMGM-NYTXWWLZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443426328 393756374 /nfs/dbraw/zinc/75/63/74/393756374.db2.gz JUGNYJQWYXKQRM-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443426328 393756376 /nfs/dbraw/zinc/75/63/76/393756376.db2.gz JUGNYJQWYXKQRM-NSHDSACASA-N 2 2 275.783 3.029 20 0 CGADLP CC(C)C1CCC([N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000433155494 393692326 /nfs/dbraw/zinc/69/23/26/393692326.db2.gz FADDHYODICBBRC-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP CC(C)C1CCC([N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000433155494 393692329 /nfs/dbraw/zinc/69/23/29/393692329.db2.gz FADDHYODICBBRC-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000433165442 393693410 /nfs/dbraw/zinc/69/34/10/393693410.db2.gz CBHHFRVDLSMVGV-UHFFFAOYSA-N 2 2 273.355 3.290 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369024 393782049 /nfs/dbraw/zinc/78/20/49/393782049.db2.gz IBCYCGZFXAYMGO-NHYWBVRUSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369024 393782051 /nfs/dbraw/zinc/78/20/51/393782051.db2.gz IBCYCGZFXAYMGO-NHYWBVRUSA-N 2 2 296.817 3.050 20 0 CGADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445451028 393795516 /nfs/dbraw/zinc/79/55/16/393795516.db2.gz ZQUCOEGYOFZYNC-CABCVRRESA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445451028 393795520 /nfs/dbraw/zinc/79/55/20/393795520.db2.gz ZQUCOEGYOFZYNC-CABCVRRESA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000449375650 393879284 /nfs/dbraw/zinc/87/92/84/393879284.db2.gz JDXYUPLYWFVZJW-ALKREAHSSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000449375650 393879289 /nfs/dbraw/zinc/87/92/89/393879289.db2.gz JDXYUPLYWFVZJW-ALKREAHSSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)C[N@@H+]1C1CC1 ZINC000449359171 393879355 /nfs/dbraw/zinc/87/93/55/393879355.db2.gz GKDMOZWCFSFKCT-MCIONIFRSA-N 2 2 288.460 3.091 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)C[N@H+]1C1CC1 ZINC000449359171 393879359 /nfs/dbraw/zinc/87/93/59/393879359.db2.gz GKDMOZWCFSFKCT-MCIONIFRSA-N 2 2 288.460 3.091 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996886 542834198 /nfs/dbraw/zinc/83/41/98/542834198.db2.gz KJQYYZTZHNKSBC-ZDUSSCGKSA-N 2 2 282.790 3.243 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCCC[C@@H]1c1ccncc1)CCC2 ZINC000667470676 542872022 /nfs/dbraw/zinc/87/20/22/542872022.db2.gz GJYOAVOAKPBXGD-QGZVFWFLSA-N 2 2 296.418 3.342 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCCC[C@@H]1c1ccncc1)CCC2 ZINC000667470676 542872023 /nfs/dbraw/zinc/87/20/23/542872023.db2.gz GJYOAVOAKPBXGD-QGZVFWFLSA-N 2 2 296.418 3.342 20 0 CGADLP c1[nH]cc(C2CC[NH+](CC34CCC(CC3)C4)CC2)[nH+]1 ZINC000450577948 394022540 /nfs/dbraw/zinc/02/25/40/394022540.db2.gz GJPKWJNITXSRNG-UHFFFAOYSA-N 2 2 259.397 3.169 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCCC[C@@H](C)C1 ZINC000450768700 394035921 /nfs/dbraw/zinc/03/59/21/394035921.db2.gz DGVGMEXQZYYGRG-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCCC[C@@H](C)C1 ZINC000450768700 394035924 /nfs/dbraw/zinc/03/59/24/394035924.db2.gz DGVGMEXQZYYGRG-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000450768700 394035929 /nfs/dbraw/zinc/03/59/29/394035929.db2.gz DGVGMEXQZYYGRG-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H](C)C1 ZINC000450768700 394035932 /nfs/dbraw/zinc/03/59/32/394035932.db2.gz DGVGMEXQZYYGRG-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453115764 394176851 /nfs/dbraw/zinc/17/68/51/394176851.db2.gz SPVDYVJBTJKZTB-FUHWJXTLSA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453115764 394176855 /nfs/dbraw/zinc/17/68/55/394176855.db2.gz SPVDYVJBTJKZTB-FUHWJXTLSA-N 2 2 289.467 3.257 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C1CC1)C1CCC1)CCC2 ZINC000453127809 394181175 /nfs/dbraw/zinc/18/11/75/394181175.db2.gz WAOBWDNNUYENPG-HOTGVXAUSA-N 2 2 273.424 3.237 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC000453101485 394172099 /nfs/dbraw/zinc/17/20/99/394172099.db2.gz YHAJKEFIFMUUCP-HOCLYGCPSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccc(F)cc2)C(C)C)n1C ZINC000667503492 542880829 /nfs/dbraw/zinc/88/08/29/542880829.db2.gz MXWSYQIOAXKBIC-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(F)cc2)C(C)C)n1C ZINC000667503492 542880831 /nfs/dbraw/zinc/88/08/31/542880831.db2.gz MXWSYQIOAXKBIC-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)n1C ZINC000667555628 542888918 /nfs/dbraw/zinc/88/89/18/542888918.db2.gz IAJWBHJKNGJBOK-LLVKDONJSA-N 2 2 259.353 3.047 20 0 CGADLP Cc1[nH+]cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)n1C ZINC000667555628 542888921 /nfs/dbraw/zinc/88/89/21/542888921.db2.gz IAJWBHJKNGJBOK-LLVKDONJSA-N 2 2 259.353 3.047 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641995 542902145 /nfs/dbraw/zinc/90/21/45/542902145.db2.gz LJUOHYGRIJHFPX-CQSZACIVSA-N 2 2 261.413 3.087 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)n1C ZINC000667648081 542903907 /nfs/dbraw/zinc/90/39/07/542903907.db2.gz LFKOUXZWJGBBNV-XJKSGUPXSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)n1C ZINC000667648081 542903909 /nfs/dbraw/zinc/90/39/09/542903909.db2.gz LFKOUXZWJGBBNV-XJKSGUPXSA-N 2 2 269.392 3.107 20 0 CGADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676434 542914535 /nfs/dbraw/zinc/91/45/35/542914535.db2.gz PEGXDSWYAXETPZ-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667676434 542914536 /nfs/dbraw/zinc/91/45/36/542914536.db2.gz PEGXDSWYAXETPZ-DZGCQCFKSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000667765930 542927343 /nfs/dbraw/zinc/92/73/43/542927343.db2.gz LZTDKDDAMBLCKC-XCRHUMRWSA-N 2 2 297.402 3.090 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000667798272 542930716 /nfs/dbraw/zinc/93/07/16/542930716.db2.gz LJVAVSHWUFAEGU-KBMXLJTQSA-N 2 2 267.376 3.151 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860072 542938184 /nfs/dbraw/zinc/93/81/84/542938184.db2.gz GFWKNBJVNHOWIB-FXUDXRNXSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860072 542938186 /nfs/dbraw/zinc/93/81/86/542938186.db2.gz GFWKNBJVNHOWIB-FXUDXRNXSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)C(C)(C)c2ccccc2)n1C ZINC000668113838 542972511 /nfs/dbraw/zinc/97/25/11/542972511.db2.gz BCPFQLDFZUPCIW-UHFFFAOYSA-N 2 2 257.381 3.096 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)C(C)(C)c2ccccc2)n1C ZINC000668113838 542972515 /nfs/dbraw/zinc/97/25/15/542972515.db2.gz BCPFQLDFZUPCIW-UHFFFAOYSA-N 2 2 257.381 3.096 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)n1C ZINC000668226236 542993439 /nfs/dbraw/zinc/99/34/39/542993439.db2.gz HIOCZOLYTFBLNR-INIZCTEOSA-N 2 2 291.345 3.344 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)n1C ZINC000668226236 542993443 /nfs/dbraw/zinc/99/34/43/542993443.db2.gz HIOCZOLYTFBLNR-INIZCTEOSA-N 2 2 291.345 3.344 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000668458170 543014938 /nfs/dbraw/zinc/01/49/38/543014938.db2.gz BWYCYWDQKSSCCK-MCIONIFRSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000668458170 543014940 /nfs/dbraw/zinc/01/49/40/543014940.db2.gz BWYCYWDQKSSCCK-MCIONIFRSA-N 2 2 284.513 3.369 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000668478290 543018940 /nfs/dbraw/zinc/01/89/40/543018940.db2.gz MLXURGFYHWZWAF-UHFFFAOYSA-N 2 2 261.413 3.449 20 0 CGADLP C[C@H](CC1CCCCC1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539830 543024983 /nfs/dbraw/zinc/02/49/83/543024983.db2.gz NQZYMIFQIMHHPW-CQSZACIVSA-N 2 2 252.446 3.086 20 0 CGADLP C[C@H](CC1CCCCC1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539830 543024986 /nfs/dbraw/zinc/02/49/86/543024986.db2.gz NQZYMIFQIMHHPW-CQSZACIVSA-N 2 2 252.446 3.086 20 0 CGADLP CCC1(CC)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668589175 543031240 /nfs/dbraw/zinc/03/12/40/543031240.db2.gz AVWVOQCFWIUEDV-UHFFFAOYSA-N 2 2 261.413 3.232 20 0 CGADLP CCC1(CC)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668589175 543031243 /nfs/dbraw/zinc/03/12/43/543031243.db2.gz AVWVOQCFWIUEDV-UHFFFAOYSA-N 2 2 261.413 3.232 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000668753545 543056023 /nfs/dbraw/zinc/05/60/23/543056023.db2.gz JSAFHWOXFAAAFJ-QFBILLFUSA-N 2 2 298.430 3.077 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C ZINC000670270261 543150409 /nfs/dbraw/zinc/15/04/09/543150409.db2.gz MAUDQNWPHKPPKH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C(C)(C)C ZINC000670270261 543150411 /nfs/dbraw/zinc/15/04/11/543150411.db2.gz MAUDQNWPHKPPKH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC2CCC1CC2 ZINC000394317977 397695095 /nfs/dbraw/zinc/69/50/95/397695095.db2.gz DYYGWQAYSHGINF-XSCHDIRWSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709509 397898137 /nfs/dbraw/zinc/89/81/37/397898137.db2.gz CIZNZMQQYQJNRR-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709509 397898138 /nfs/dbraw/zinc/89/81/38/397898138.db2.gz CIZNZMQQYQJNRR-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650712120 397898894 /nfs/dbraw/zinc/89/88/94/397898894.db2.gz RBGINUHGECGZDG-STQMWFEESA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1CC[NH3+] ZINC000650712120 397898896 /nfs/dbraw/zinc/89/88/96/397898896.db2.gz RBGINUHGECGZDG-STQMWFEESA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912540 543306958 /nfs/dbraw/zinc/30/69/58/543306958.db2.gz GQUCWEPYEGARGC-ZANVPECISA-N 2 2 273.207 3.033 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912540 543306959 /nfs/dbraw/zinc/30/69/59/543306959.db2.gz GQUCWEPYEGARGC-ZANVPECISA-N 2 2 273.207 3.033 20 0 CGADLP COC1([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)CCCC1 ZINC000421822971 292145782 /nfs/dbraw/zinc/14/57/82/292145782.db2.gz BWTYTXNJIKGLKO-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP COC1([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000421822971 292145784 /nfs/dbraw/zinc/14/57/84/292145784.db2.gz BWTYTXNJIKGLKO-INIZCTEOSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000675765626 543361873 /nfs/dbraw/zinc/36/18/73/543361873.db2.gz CANAELXOLXPSKL-YESZJQIVSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000675765626 543361875 /nfs/dbraw/zinc/36/18/75/543361875.db2.gz CANAELXOLXPSKL-YESZJQIVSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000675768055 543362875 /nfs/dbraw/zinc/36/28/75/543362875.db2.gz WJNLVXWDPUGHQL-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000675768055 543362877 /nfs/dbraw/zinc/36/28/77/543362877.db2.gz WJNLVXWDPUGHQL-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675834476 543368890 /nfs/dbraw/zinc/36/88/90/543368890.db2.gz UUCBUHUBLHOZIO-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675834476 543368893 /nfs/dbraw/zinc/36/88/93/543368893.db2.gz UUCBUHUBLHOZIO-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000675883507 543370325 /nfs/dbraw/zinc/37/03/25/543370325.db2.gz DMMMGLAOBYQWNL-OAHLLOKOSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@H](C[NH2+]Cc1cscc1Cl)Cn1cc[nH+]c1 ZINC000676414469 543397005 /nfs/dbraw/zinc/39/70/05/543397005.db2.gz DDYAXUBGVHSOMX-SNVBAGLBSA-N 2 2 269.801 3.024 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000434775286 292169477 /nfs/dbraw/zinc/16/94/77/292169477.db2.gz JQTHLSVTCJGWNP-ZBFHGGJFSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000677754962 543463951 /nfs/dbraw/zinc/46/39/51/543463951.db2.gz NSAZSICFSFGANR-LLVKDONJSA-N 2 2 279.453 3.119 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000677806225 543466823 /nfs/dbraw/zinc/46/68/23/543466823.db2.gz YAVUVFRJSFOFGT-INIZCTEOSA-N 2 2 278.827 3.403 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000677846362 543469041 /nfs/dbraw/zinc/46/90/41/543469041.db2.gz QNWORUBOXZFLSS-WBVHZDCISA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000677846362 543469043 /nfs/dbraw/zinc/46/90/43/543469043.db2.gz QNWORUBOXZFLSS-WBVHZDCISA-N 2 2 290.838 3.401 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000677985170 543475088 /nfs/dbraw/zinc/47/50/88/543475088.db2.gz ZRAJUQFTVWIBNA-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000677985170 543475089 /nfs/dbraw/zinc/47/50/89/543475089.db2.gz ZRAJUQFTVWIBNA-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cnccc3C)[nH+]c12 ZINC000678543956 543534683 /nfs/dbraw/zinc/53/46/83/543534683.db2.gz ONMRQKPAGRGSSC-HNNXBMFYSA-N 2 2 294.402 3.239 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678911209 543571327 /nfs/dbraw/zinc/57/13/27/543571327.db2.gz UJPSBEVUYNKBOI-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678911209 543571330 /nfs/dbraw/zinc/57/13/30/543571330.db2.gz UJPSBEVUYNKBOI-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000354350604 286150119 /nfs/dbraw/zinc/15/01/19/286150119.db2.gz FPUJUBSWRGTOGK-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346588056 286162505 /nfs/dbraw/zinc/16/25/05/286162505.db2.gz FQRAMXMLYSXHHC-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346588056 286162508 /nfs/dbraw/zinc/16/25/08/286162508.db2.gz FQRAMXMLYSXHHC-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1(C)C ZINC000344031207 286278594 /nfs/dbraw/zinc/27/85/94/286278594.db2.gz GLXOCABYCCQWHE-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000555227096 289333885 /nfs/dbraw/zinc/33/38/85/289333885.db2.gz PLRUGXSNPMYUCY-CVEARBPZSA-N 2 2 284.513 3.228 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000377803583 286359995 /nfs/dbraw/zinc/35/99/95/286359995.db2.gz YBLHGBKJAGFUPL-KSSFIOAISA-N 2 2 299.418 3.263 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C(C)C)cc1 ZINC000377803583 286359996 /nfs/dbraw/zinc/35/99/96/286359996.db2.gz YBLHGBKJAGFUPL-KSSFIOAISA-N 2 2 299.418 3.263 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423109713 286376173 /nfs/dbraw/zinc/37/61/73/286376173.db2.gz OAJGPJPLZDWKOZ-ZACQAIPSSA-N 2 2 288.435 3.267 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1(C)C ZINC000344031205 286489829 /nfs/dbraw/zinc/48/98/29/286489829.db2.gz GLXOCABYCCQWHE-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1cscn1)C(C)C ZINC000535776988 288461466 /nfs/dbraw/zinc/46/14/66/288461466.db2.gz XUDMEPZVCTXJHE-CYBMUJFWSA-N 2 2 269.458 3.303 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCC(C)CC1 ZINC000448060013 286875517 /nfs/dbraw/zinc/87/55/17/286875517.db2.gz HNESEVOWXPMORH-AWEZNQCLSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+]1CCOCC1 ZINC000449163622 286878579 /nfs/dbraw/zinc/87/85/79/286878579.db2.gz MZVIYOAIRZIMQY-IRXDYDNUSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423271949 287064360 /nfs/dbraw/zinc/06/43/60/287064360.db2.gz HSFOUMPYHHFUSJ-AMIZOPFISA-N 2 2 273.207 3.381 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000085401436 287081961 /nfs/dbraw/zinc/08/19/61/287081961.db2.gz FMXZBKKZWHQUBI-JKSUJKDBSA-N 2 2 293.455 3.093 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000089693914 287093675 /nfs/dbraw/zinc/09/36/75/287093675.db2.gz CBVRXEGOLVOTRU-AWEZNQCLSA-N 2 2 296.201 3.467 20 0 CGADLP Cc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000080690681 165157255 /nfs/dbraw/zinc/15/72/55/165157255.db2.gz IASUYQIVSYXPGP-CQSZACIVSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1nc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000080690681 165157256 /nfs/dbraw/zinc/15/72/56/165157256.db2.gz IASUYQIVSYXPGP-CQSZACIVSA-N 2 2 284.407 3.108 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000082098075 165168891 /nfs/dbraw/zinc/16/88/91/165168891.db2.gz NDXLZIAQLGUOGG-HFTQHKIXSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000082098075 165168892 /nfs/dbraw/zinc/16/88/92/165168892.db2.gz NDXLZIAQLGUOGG-HFTQHKIXSA-N 2 2 281.403 3.313 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648711 165307259 /nfs/dbraw/zinc/30/72/59/165307259.db2.gz XDYGFGFVNRDDNQ-CZUORRHYSA-N 2 2 285.391 3.437 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000092740692 165312963 /nfs/dbraw/zinc/31/29/63/165312963.db2.gz WLVAAGDXVNKAKD-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000094896301 165394648 /nfs/dbraw/zinc/39/46/48/165394648.db2.gz YOGFMLBCCYFLCD-QGZVFWFLSA-N 2 2 272.436 3.211 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896301 165394650 /nfs/dbraw/zinc/39/46/50/165394650.db2.gz YOGFMLBCCYFLCD-QGZVFWFLSA-N 2 2 272.436 3.211 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000093692790 287118870 /nfs/dbraw/zinc/11/88/70/287118870.db2.gz DAVLZNVYAONTSH-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000093692790 287118872 /nfs/dbraw/zinc/11/88/72/287118872.db2.gz DAVLZNVYAONTSH-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccn2CCC(C)C)C1 ZINC000093770792 287119284 /nfs/dbraw/zinc/11/92/84/287119284.db2.gz WVPZKCPGOBLFNJ-QGZVFWFLSA-N 2 2 291.483 3.308 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccn2CCC(C)C)C1 ZINC000093770792 287119287 /nfs/dbraw/zinc/11/92/87/287119287.db2.gz WVPZKCPGOBLFNJ-QGZVFWFLSA-N 2 2 291.483 3.308 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000093770792 287119290 /nfs/dbraw/zinc/11/92/90/287119290.db2.gz WVPZKCPGOBLFNJ-QGZVFWFLSA-N 2 2 291.483 3.308 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn2CCC(C)C)C1 ZINC000093770792 287119293 /nfs/dbraw/zinc/11/92/93/287119293.db2.gz WVPZKCPGOBLFNJ-QGZVFWFLSA-N 2 2 291.483 3.308 20 0 CGADLP CC(C)(C)CC[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112698048 287144238 /nfs/dbraw/zinc/14/42/38/287144238.db2.gz SEOXZTRBFDVWFS-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CC[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000112698048 287144239 /nfs/dbraw/zinc/14/42/39/287144239.db2.gz SEOXZTRBFDVWFS-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC000118984930 287162930 /nfs/dbraw/zinc/16/29/30/287162930.db2.gz GMYOVJIZXVRMOU-BZSNNMDCSA-N 2 2 290.451 3.002 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000119045477 287164004 /nfs/dbraw/zinc/16/40/04/287164004.db2.gz WRDAVEHHIMEOLW-YOEHRIQHSA-N 2 2 278.440 3.466 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000123012202 287215025 /nfs/dbraw/zinc/21/50/25/287215025.db2.gz VWGDSVQJTYZLNH-YDHLFZDLSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000123012202 287215027 /nfs/dbraw/zinc/21/50/27/287215027.db2.gz VWGDSVQJTYZLNH-YDHLFZDLSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000020126833 171011256 /nfs/dbraw/zinc/01/12/56/171011256.db2.gz KNGPZTZSCYNHCD-LBPRGKRZSA-N 2 2 286.341 3.452 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128743 171016433 /nfs/dbraw/zinc/01/64/33/171016433.db2.gz PYALZBIPQQHZGW-GOEBONIOSA-N 2 2 276.424 3.369 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000020131562 171020014 /nfs/dbraw/zinc/02/00/14/171020014.db2.gz OZHGCQZGTHKYJA-UHFFFAOYSA-N 2 2 298.377 3.250 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000020131573 171020061 /nfs/dbraw/zinc/02/00/61/171020061.db2.gz DDKQWMZYHGOSHM-UHFFFAOYSA-N 2 2 298.377 3.252 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000020189679 171055895 /nfs/dbraw/zinc/05/58/95/171055895.db2.gz NZJVTKFFXMMNBU-GFCCVEGCSA-N 2 2 282.378 3.490 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000285001947 196175360 /nfs/dbraw/zinc/17/53/60/196175360.db2.gz YVHSZKKXKFOBQB-ZWKOTPCHSA-N 2 2 297.402 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)cc2)c[nH+]1 ZINC000285001947 196175362 /nfs/dbraw/zinc/17/53/62/196175362.db2.gz YVHSZKKXKFOBQB-ZWKOTPCHSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000285352411 196259419 /nfs/dbraw/zinc/25/94/19/196259419.db2.gz AAMRRCPDUXMGLZ-PCAWENJQSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000285352411 196259421 /nfs/dbraw/zinc/25/94/21/196259421.db2.gz AAMRRCPDUXMGLZ-PCAWENJQSA-N 2 2 280.362 3.050 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407813 196275367 /nfs/dbraw/zinc/27/53/67/196275367.db2.gz FPSVRSJVJVQXJU-CJNGLKHVSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407813 196275369 /nfs/dbraw/zinc/27/53/69/196275369.db2.gz FPSVRSJVJVQXJU-CJNGLKHVSA-N 2 2 283.419 3.191 20 0 CGADLP CCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285606161 196342312 /nfs/dbraw/zinc/34/23/12/196342312.db2.gz VNXKXCUXJVELGI-SJPCQFCGSA-N 2 2 288.435 3.142 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285606161 196342314 /nfs/dbraw/zinc/34/23/14/196342314.db2.gz VNXKXCUXJVELGI-SJPCQFCGSA-N 2 2 288.435 3.142 20 0 CGADLP CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285606161 196342316 /nfs/dbraw/zinc/34/23/16/196342316.db2.gz VNXKXCUXJVELGI-SJPCQFCGSA-N 2 2 288.435 3.142 20 0 CGADLP CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285606161 196342317 /nfs/dbraw/zinc/34/23/17/196342317.db2.gz VNXKXCUXJVELGI-SJPCQFCGSA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037167194 173001217 /nfs/dbraw/zinc/00/12/17/173001217.db2.gz JCUZKDMXNGHFKM-DOTOQJQBSA-N 2 2 292.467 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037213778 173033955 /nfs/dbraw/zinc/03/39/55/173033955.db2.gz RZTGZWGRXLWLAI-RDJZCZTQSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037213778 173033957 /nfs/dbraw/zinc/03/39/57/173033957.db2.gz RZTGZWGRXLWLAI-RDJZCZTQSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000037318612 173118945 /nfs/dbraw/zinc/11/89/45/173118945.db2.gz MCWMLMFILOBDNN-GFCCVEGCSA-N 2 2 292.398 3.112 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000040591967 174347477 /nfs/dbraw/zinc/34/74/77/174347477.db2.gz BDOWMYQCADBFBT-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000040591967 174347479 /nfs/dbraw/zinc/34/74/79/174347479.db2.gz BDOWMYQCADBFBT-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Cn1c(CCC[NH2+]Cc2cccc(F)c2)[nH+]c2ccccc21 ZINC000076900985 177129009 /nfs/dbraw/zinc/12/90/09/177129009.db2.gz SZKXOHHZMLQNOI-UHFFFAOYSA-N 2 2 297.377 3.435 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000062719125 416488277 /nfs/dbraw/zinc/48/82/77/416488277.db2.gz GTBFAVWFIQNJSP-WFASDCNBSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000062719125 416488282 /nfs/dbraw/zinc/48/82/82/416488282.db2.gz GTBFAVWFIQNJSP-WFASDCNBSA-N 2 2 298.352 3.068 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1F ZINC000679220809 543601331 /nfs/dbraw/zinc/60/13/31/543601331.db2.gz JQRKVPHOOWWSIR-XJKSGUPXSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1F ZINC000679220809 543601332 /nfs/dbraw/zinc/60/13/32/543601332.db2.gz JQRKVPHOOWWSIR-XJKSGUPXSA-N 2 2 273.355 3.052 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681007586 543755872 /nfs/dbraw/zinc/75/58/72/543755872.db2.gz QYYBDSPWUOMRFH-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681007586 543755874 /nfs/dbraw/zinc/75/58/74/543755874.db2.gz QYYBDSPWUOMRFH-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000682078221 543823742 /nfs/dbraw/zinc/82/37/42/543823742.db2.gz WCJDHLNQLABPJR-FHLIZLRMSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000682078221 543823744 /nfs/dbraw/zinc/82/37/44/543823744.db2.gz WCJDHLNQLABPJR-FHLIZLRMSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000682407104 543842001 /nfs/dbraw/zinc/84/20/01/543842001.db2.gz WZKYFSHXMICTHV-KSSFIOAISA-N 2 2 284.403 3.173 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132131634 287397853 /nfs/dbraw/zinc/39/78/53/287397853.db2.gz IXZRSRJUYPRGPB-HZPDHXFCSA-N 2 2 285.435 3.498 20 0 CGADLP c1cn(CC[NH2+]C2(c3ccccc3)CCCCC2)c[nH+]1 ZINC000132060795 287395902 /nfs/dbraw/zinc/39/59/02/287395902.db2.gz YYXBHXOHOXTQTE-UHFFFAOYSA-N 2 2 269.392 3.332 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c[nH+]1 ZINC000684360515 543984971 /nfs/dbraw/zinc/98/49/71/543984971.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c[nH+]1 ZINC000684360515 543984975 /nfs/dbraw/zinc/98/49/75/543984975.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c[nH+]1 ZINC000684360515 543984978 /nfs/dbraw/zinc/98/49/78/543984978.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c[nH+]1 ZINC000684360515 543984981 /nfs/dbraw/zinc/98/49/81/543984981.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC000684384699 543989990 /nfs/dbraw/zinc/98/99/90/543989990.db2.gz DLKHIMDKJWAACL-CYBMUJFWSA-N 2 2 254.324 3.100 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)c2ccncc2)c[nH+]1 ZINC000684384068 543990018 /nfs/dbraw/zinc/99/00/18/543990018.db2.gz TYUPVSZUBSEUNV-CQSZACIVSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@H]2CCCC[C@H]2O)c[nH+]1 ZINC000684385775 543990951 /nfs/dbraw/zinc/99/09/51/543990951.db2.gz LTQJTIAXGZLLPI-QZTJIDSGSA-N 2 2 290.451 3.244 20 0 CGADLP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000685463068 544075750 /nfs/dbraw/zinc/07/57/50/544075750.db2.gz OXLUPQOMIPTFBA-KSVUCXBSSA-N 2 2 281.403 3.313 20 0 CGADLP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000685463068 544075752 /nfs/dbraw/zinc/07/57/52/544075752.db2.gz OXLUPQOMIPTFBA-KSVUCXBSSA-N 2 2 281.403 3.313 20 0 CGADLP C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652309559 418949834 /nfs/dbraw/zinc/94/98/34/418949834.db2.gz CPGGXHMWZBYZKK-OAHLLOKOSA-N 2 2 299.418 3.076 20 0 CGADLP CCC[N@H+](C)CC(C)(C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000664609851 418986319 /nfs/dbraw/zinc/98/63/19/418986319.db2.gz PQBGXQUSQIOHAB-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP CCC[N@@H+](C)CC(C)(C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000664609851 418986323 /nfs/dbraw/zinc/98/63/23/418986323.db2.gz PQBGXQUSQIOHAB-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP c1cn2c([nH+]1)[C@H](Nc1cccc3cc[nH+]cc31)CCC2 ZINC000655751559 419087289 /nfs/dbraw/zinc/08/72/89/419087289.db2.gz HYQMAGXJGAPDML-OAHLLOKOSA-N 2 2 264.332 3.378 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000665251962 419093681 /nfs/dbraw/zinc/09/36/81/419093681.db2.gz CTUINTYLYIWSSH-OPQOLIRYSA-N 2 2 272.436 3.156 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCC[C@H]1C ZINC000655772403 419093744 /nfs/dbraw/zinc/09/37/44/419093744.db2.gz GRDRMWCSUVOGAA-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000665265306 419096373 /nfs/dbraw/zinc/09/63/73/419096373.db2.gz UUWRGMQKEMSBCP-NOZJJQNGSA-N 2 2 273.207 3.224 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2=CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274292 419098459 /nfs/dbraw/zinc/09/84/59/419098459.db2.gz NBFYFRJPEJIGOA-ROUUACIJSA-N 2 2 286.419 3.188 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665276429 419100344 /nfs/dbraw/zinc/10/03/44/419100344.db2.gz CFIBNSADBWVCDP-IFQILLTASA-N 2 2 284.325 3.108 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892571 419105349 /nfs/dbraw/zinc/10/53/49/419105349.db2.gz JYKFBBMWJFPGJS-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892571 419105351 /nfs/dbraw/zinc/10/53/51/419105351.db2.gz JYKFBBMWJFPGJS-MRXNPFEDSA-N 2 2 261.413 3.236 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665290079 419106400 /nfs/dbraw/zinc/10/64/00/419106400.db2.gz IMOZTMPTSUKMML-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665290079 419106403 /nfs/dbraw/zinc/10/64/03/419106403.db2.gz IMOZTMPTSUKMML-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290079 419106407 /nfs/dbraw/zinc/10/64/07/419106407.db2.gz IMOZTMPTSUKMML-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290079 419106409 /nfs/dbraw/zinc/10/64/09/419106409.db2.gz IMOZTMPTSUKMML-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000665294045 419107086 /nfs/dbraw/zinc/10/70/86/419107086.db2.gz HDOZFDSDISWTEH-OLZOCXBDSA-N 2 2 272.392 3.107 20 0 CGADLP CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC=CC1 ZINC000655815087 419107090 /nfs/dbraw/zinc/10/70/90/419107090.db2.gz UVEYJTHZFKRUST-UHFFFAOYSA-N 2 2 253.349 3.071 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Br)cc1 ZINC000665293967 419107701 /nfs/dbraw/zinc/10/77/01/419107701.db2.gz GEFSLCDXBFMMFB-ZWNOBZJWSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000665296575 419108531 /nfs/dbraw/zinc/10/85/31/419108531.db2.gz UVEPCYDISKIYNX-JOYOIKCWSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000665296250 419109051 /nfs/dbraw/zinc/10/90/51/419109051.db2.gz PJBOMXHVTKAKSW-BXUZGUMPSA-N 2 2 252.427 3.177 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000665296737 419110922 /nfs/dbraw/zinc/11/09/22/419110922.db2.gz XHADQFDXHKNNIT-PBHICJAKSA-N 2 2 278.440 3.370 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000665297290 419111072 /nfs/dbraw/zinc/11/10/72/419111072.db2.gz COHBHBLVQIGIIT-RKDXNWHRSA-N 2 2 291.258 3.078 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000655848779 419118141 /nfs/dbraw/zinc/11/81/41/419118141.db2.gz KFONUTXVNIODBG-XKQJLSEDSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000655848779 419118145 /nfs/dbraw/zinc/11/81/45/419118145.db2.gz KFONUTXVNIODBG-XKQJLSEDSA-N 2 2 274.408 3.060 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848412 419118456 /nfs/dbraw/zinc/11/84/56/419118456.db2.gz FCTHZAZGEFDOGA-MWDXBVQZSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848412 419118458 /nfs/dbraw/zinc/11/84/58/419118458.db2.gz FCTHZAZGEFDOGA-MWDXBVQZSA-N 2 2 262.441 3.172 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849294 419120442 /nfs/dbraw/zinc/12/04/42/419120442.db2.gz STYTXRGCAZWTSB-HRCADAONSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849294 419120444 /nfs/dbraw/zinc/12/04/44/419120444.db2.gz STYTXRGCAZWTSB-HRCADAONSA-N 2 2 274.408 3.264 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848790 419121033 /nfs/dbraw/zinc/12/10/33/419121033.db2.gz KVMWDRURYSLJEH-QDIHITRGSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848790 419121037 /nfs/dbraw/zinc/12/10/37/419121037.db2.gz KVMWDRURYSLJEH-QDIHITRGSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655712323 419073357 /nfs/dbraw/zinc/07/33/57/419073357.db2.gz QYMWNXIRMRLFII-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655712323 419073360 /nfs/dbraw/zinc/07/33/60/419073360.db2.gz QYMWNXIRMRLFII-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000655941005 419129196 /nfs/dbraw/zinc/12/91/96/419129196.db2.gz KGNQARCACYXNBS-HBUWYVDXSA-N 2 2 290.451 3.295 20 0 CGADLP Cc1c[nH+]c(CCNc2nc(C)[nH+]c(C)c2C)c(C)c1 ZINC000656210771 419150751 /nfs/dbraw/zinc/15/07/51/419150751.db2.gz GHIQQYXNONUKHP-UHFFFAOYSA-N 2 2 270.380 3.068 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000660489833 419151677 /nfs/dbraw/zinc/15/16/77/419151677.db2.gz MFFJGTQHRPHGBI-SJORKVTESA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000660489833 419151680 /nfs/dbraw/zinc/15/16/80/419151680.db2.gz MFFJGTQHRPHGBI-SJORKVTESA-N 2 2 258.409 3.378 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662399 419179001 /nfs/dbraw/zinc/17/90/01/419179001.db2.gz JRPRCVQWKDXBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662399 419179003 /nfs/dbraw/zinc/17/90/03/419179003.db2.gz JRPRCVQWKDXBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662399 419179005 /nfs/dbraw/zinc/17/90/05/419179005.db2.gz JRPRCVQWKDXBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662399 419179007 /nfs/dbraw/zinc/17/90/07/419179007.db2.gz JRPRCVQWKDXBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724034 419186509 /nfs/dbraw/zinc/18/65/09/419186509.db2.gz PTNGETWJIIYKDJ-VQHPVUNQSA-N 2 2 264.457 3.086 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724034 419186511 /nfs/dbraw/zinc/18/65/11/419186511.db2.gz PTNGETWJIIYKDJ-VQHPVUNQSA-N 2 2 264.457 3.086 20 0 CGADLP C[N@H+](CC1CC=CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000660763308 419191792 /nfs/dbraw/zinc/19/17/92/419191792.db2.gz TWHZXCRNFZRXJH-UHFFFAOYSA-N 2 2 290.373 3.301 20 0 CGADLP C[N@@H+](CC1CC=CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000660763308 419191796 /nfs/dbraw/zinc/19/17/96/419191796.db2.gz TWHZXCRNFZRXJH-UHFFFAOYSA-N 2 2 290.373 3.301 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000657326376 419250653 /nfs/dbraw/zinc/25/06/53/419250653.db2.gz MJLHDEHTCZYQLE-RDJZCZTQSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353419 419257222 /nfs/dbraw/zinc/25/72/22/419257222.db2.gz MXFJBIRLHUMVRB-GJZGRUSLSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)n1ccnc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000657382263 419265629 /nfs/dbraw/zinc/26/56/29/419265629.db2.gz JLGXMWYMFVTXDH-UHFFFAOYSA-N 2 2 280.460 3.063 20 0 CGADLP CC(C)n1cc[nH+]c1CNCCC[NH+](C(C)C)C(C)C ZINC000657382263 419265632 /nfs/dbraw/zinc/26/56/32/419265632.db2.gz JLGXMWYMFVTXDH-UHFFFAOYSA-N 2 2 280.460 3.063 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656676672 419197529 /nfs/dbraw/zinc/19/75/29/419197529.db2.gz PLXOBWRRHFUHAT-DOTOQJQBSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656676672 419197533 /nfs/dbraw/zinc/19/75/33/419197533.db2.gz PLXOBWRRHFUHAT-DOTOQJQBSA-N 2 2 274.452 3.470 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)ccc1F ZINC000657391716 419267706 /nfs/dbraw/zinc/26/77/06/419267706.db2.gz XTMXAGIUPPNYTD-GFCCVEGCSA-N 2 2 273.355 3.128 20 0 CGADLP c1cc(C[N@@H+]2CCC[NH2+]CC2)cc(C2CCCC2)c1 ZINC000656785332 419217760 /nfs/dbraw/zinc/21/77/60/419217760.db2.gz GTUWPSFNGXRUTC-UHFFFAOYSA-N 2 2 258.409 3.140 20 0 CGADLP c1cc(C[N@H+]2CCC[NH2+]CC2)cc(C2CCCC2)c1 ZINC000656785332 419217764 /nfs/dbraw/zinc/21/77/64/419217764.db2.gz GTUWPSFNGXRUTC-UHFFFAOYSA-N 2 2 258.409 3.140 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)oc3ccccc32)CCCC1 ZINC000656789486 419221468 /nfs/dbraw/zinc/22/14/68/419221468.db2.gz ORMLWTDWAVQWOI-UHFFFAOYSA-N 2 2 278.783 3.447 20 0 CGADLP CC[C@H](C)[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661109388 419231185 /nfs/dbraw/zinc/23/11/85/419231185.db2.gz ZTCPBIJKVLSFNP-AWEZNQCLSA-N 2 2 257.381 3.493 20 0 CGADLP CC[C@H](C)[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661109388 419231188 /nfs/dbraw/zinc/23/11/88/419231188.db2.gz ZTCPBIJKVLSFNP-AWEZNQCLSA-N 2 2 257.381 3.493 20 0 CGADLP Cc1[nH+]c2c(n1Cc1ccc(C)[nH+]c1C)CCCC2 ZINC000657261680 419238929 /nfs/dbraw/zinc/23/89/29/419238929.db2.gz XOFKENYQQKRQLA-UHFFFAOYSA-N 2 2 255.365 3.130 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CO1 ZINC000657445674 419280791 /nfs/dbraw/zinc/28/07/91/419280791.db2.gz ICCXCZGXTSTTNW-CUSZFKRNSA-N 2 2 290.451 3.143 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@@H](C)C1 ZINC000657486494 419291055 /nfs/dbraw/zinc/29/10/55/419291055.db2.gz CKCVAZKXBKJBPG-HZSPNIEDSA-N 2 2 261.413 3.134 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(C3CCCC3)c2)c1 ZINC000657489532 419292106 /nfs/dbraw/zinc/29/21/06/419292106.db2.gz XLEIDUCBTRUMMT-UHFFFAOYSA-N 2 2 283.419 3.410 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525523 419296831 /nfs/dbraw/zinc/29/68/31/419296831.db2.gz RVHWVVUFWZUIJM-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525523 419296833 /nfs/dbraw/zinc/29/68/33/419296833.db2.gz RVHWVVUFWZUIJM-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000657524437 419298055 /nfs/dbraw/zinc/29/80/55/419298055.db2.gz OSDBLIISINZCCC-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000657524437 419298057 /nfs/dbraw/zinc/29/80/57/419298057.db2.gz OSDBLIISINZCCC-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC13CCCCC3)CCC2 ZINC000657536821 419301270 /nfs/dbraw/zinc/30/12/70/419301270.db2.gz QCSDWXZYQROVIW-OAHLLOKOSA-N 2 2 273.424 3.422 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564382 419306867 /nfs/dbraw/zinc/30/68/67/419306867.db2.gz UPWQXJIEMLQADS-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564382 419306870 /nfs/dbraw/zinc/30/68/70/419306870.db2.gz UPWQXJIEMLQADS-XJKSGUPXSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC000657678462 419326615 /nfs/dbraw/zinc/32/66/15/419326615.db2.gz QTVXNWIUJIJKQO-RBSFLKMASA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC000657678462 419326617 /nfs/dbraw/zinc/32/66/17/419326617.db2.gz QTVXNWIUJIJKQO-RBSFLKMASA-N 2 2 282.497 3.267 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661999149 419322645 /nfs/dbraw/zinc/32/26/45/419322645.db2.gz RSPZHCNXDVTMHT-JEYLPNPQSA-N 2 2 264.388 3.439 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C(C)C)C3CC3)c[nH+]c12 ZINC000657756302 419338425 /nfs/dbraw/zinc/33/84/25/419338425.db2.gz QSZPPSMKNAEVBT-OAHLLOKOSA-N 2 2 257.381 3.167 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000657835973 419379219 /nfs/dbraw/zinc/37/92/19/419379219.db2.gz PRGFBERBJHWZEB-JUVOFCAFSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000657835973 419379224 /nfs/dbraw/zinc/37/92/24/419379224.db2.gz PRGFBERBJHWZEB-JUVOFCAFSA-N 2 2 282.472 3.187 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000657838101 419381778 /nfs/dbraw/zinc/38/17/78/419381778.db2.gz YUUXAIJJUGFILT-UPJWGTAASA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000657838101 419381781 /nfs/dbraw/zinc/38/17/81/419381781.db2.gz YUUXAIJJUGFILT-UPJWGTAASA-N 2 2 276.415 3.376 20 0 CGADLP [NH3+]CC[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC000662295941 419384576 /nfs/dbraw/zinc/38/45/76/419384576.db2.gz OKDMCVGAAAFCSN-UHFFFAOYSA-N 2 2 297.240 3.157 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662285230 419384598 /nfs/dbraw/zinc/38/45/98/419384598.db2.gz HWRAPEYAIBWHHY-SWLSCSKDSA-N 2 2 282.378 3.226 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662285230 419384602 /nfs/dbraw/zinc/38/46/02/419384602.db2.gz HWRAPEYAIBWHHY-SWLSCSKDSA-N 2 2 282.378 3.226 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056750 419525060 /nfs/dbraw/zinc/52/50/60/419525060.db2.gz LXLAZKCVOCODAO-BBRMVZONSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056750 419525068 /nfs/dbraw/zinc/52/50/68/419525068.db2.gz LXLAZKCVOCODAO-BBRMVZONSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000658058128 419527955 /nfs/dbraw/zinc/52/79/55/419527955.db2.gz CWAWWHWDIZEHHS-LSDHHAIUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000658058128 419527958 /nfs/dbraw/zinc/52/79/58/419527958.db2.gz CWAWWHWDIZEHHS-LSDHHAIUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000658062491 419536386 /nfs/dbraw/zinc/53/63/86/419536386.db2.gz RZEAMDMTNGVEMP-WXRRBKDZSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000658062491 419536394 /nfs/dbraw/zinc/53/63/94/419536394.db2.gz RZEAMDMTNGVEMP-WXRRBKDZSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063433 419536921 /nfs/dbraw/zinc/53/69/21/419536921.db2.gz VLXKGLHAFOHDDQ-UONOGXRCSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063433 419536926 /nfs/dbraw/zinc/53/69/26/419536926.db2.gz VLXKGLHAFOHDDQ-UONOGXRCSA-N 2 2 297.446 3.098 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658079413 419548969 /nfs/dbraw/zinc/54/89/69/419548969.db2.gz YWWCPBMBNBIMOP-FDQGKXFDSA-N 2 2 290.426 3.219 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658079413 419548975 /nfs/dbraw/zinc/54/89/75/419548975.db2.gz YWWCPBMBNBIMOP-FDQGKXFDSA-N 2 2 290.426 3.219 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090150 419559729 /nfs/dbraw/zinc/55/97/29/419559729.db2.gz DZBLQFQMAZJSKL-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090150 419559736 /nfs/dbraw/zinc/55/97/36/419559736.db2.gz DZBLQFQMAZJSKL-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP CC1(C)C[C@@]1([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663341252 419562931 /nfs/dbraw/zinc/56/29/31/419562931.db2.gz NRBXPWPCUMRNDO-GOSISDBHSA-N 2 2 281.403 3.244 20 0 CGADLP CC1CC[NH+](CCCNc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663353201 419571642 /nfs/dbraw/zinc/57/16/42/419571642.db2.gz IJBPFFDKVOCQBZ-UHFFFAOYSA-N 2 2 298.434 3.351 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000663508386 419639146 /nfs/dbraw/zinc/63/91/46/419639146.db2.gz OVSRFJCLTOLXMK-QMMMGPOBSA-N 2 2 280.721 3.056 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000663357629 419576529 /nfs/dbraw/zinc/57/65/29/419576529.db2.gz BYOMBIJXTSGACX-UHFFFAOYSA-N 2 2 285.313 3.403 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000663508739 419639885 /nfs/dbraw/zinc/63/98/85/419639885.db2.gz UEHFMSMOJIZQJT-NSHDSACASA-N 2 2 278.396 3.252 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658283895 419729077 /nfs/dbraw/zinc/72/90/77/419729077.db2.gz DOBWOCSWYDLIKO-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658283895 419729086 /nfs/dbraw/zinc/72/90/86/419729086.db2.gz DOBWOCSWYDLIKO-YOEHRIQHSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000658286713 419734808 /nfs/dbraw/zinc/73/48/08/419734808.db2.gz CBTVKXMSWGZCAB-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000658286713 419734815 /nfs/dbraw/zinc/73/48/15/419734815.db2.gz CBTVKXMSWGZCAB-YOEHRIQHSA-N 2 2 258.409 3.056 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663916421 419756638 /nfs/dbraw/zinc/75/66/38/419756638.db2.gz UCGCGDUBGDYPBI-ZDUSSCGKSA-N 2 2 286.423 3.349 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663916421 419756646 /nfs/dbraw/zinc/75/66/46/419756646.db2.gz UCGCGDUBGDYPBI-ZDUSSCGKSA-N 2 2 286.423 3.349 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000179476405 260050694 /nfs/dbraw/zinc/05/06/94/260050694.db2.gz RZUVNEVESSSUBI-BEFAXECRSA-N 2 2 295.430 3.455 20 0 CGADLP CCN(CC)c1ccc(NC2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000037003332 270028283 /nfs/dbraw/zinc/02/82/83/270028283.db2.gz XQPQMMWFZBZHPH-UHFFFAOYSA-N 2 2 290.455 3.213 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534242 270034486 /nfs/dbraw/zinc/03/44/86/270034486.db2.gz GBRXIIMEJOSFGZ-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534242 270034487 /nfs/dbraw/zinc/03/44/87/270034487.db2.gz GBRXIIMEJOSFGZ-WBVHZDCISA-N 2 2 260.425 3.254 20 0 CGADLP CC[NH+]1CCC(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000044526374 270035998 /nfs/dbraw/zinc/03/59/98/270035998.db2.gz NYYIRENRZIIBBC-UHFFFAOYSA-N 2 2 269.392 3.379 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687614 270037128 /nfs/dbraw/zinc/03/71/28/270037128.db2.gz HMCOESARDZBERU-NVXWUHKLSA-N 2 2 272.436 3.142 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687614 270037130 /nfs/dbraw/zinc/03/71/30/270037130.db2.gz HMCOESARDZBERU-NVXWUHKLSA-N 2 2 272.436 3.142 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000045094605 270038079 /nfs/dbraw/zinc/03/80/79/270038079.db2.gz KAYUPMVWQFGBAV-CYBMUJFWSA-N 2 2 261.344 3.153 20 0 CGADLP Clc1csc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000192997915 270078390 /nfs/dbraw/zinc/07/83/90/270078390.db2.gz WECYPDJDDJTSPF-UHFFFAOYSA-N 2 2 291.807 3.382 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2ccc(C)cc2)C1)C1CC1 ZINC000228819330 270087958 /nfs/dbraw/zinc/08/79/58/270087958.db2.gz UQWGNFXWNACPGA-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2ccc(C)cc2)C1)C1CC1 ZINC000228819330 270087959 /nfs/dbraw/zinc/08/79/59/270087959.db2.gz UQWGNFXWNACPGA-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+](CC[NH2+]C1CCC(C(C)C)CC1)C1CC1 ZINC000230652061 270089095 /nfs/dbraw/zinc/08/90/95/270089095.db2.gz CEQQAQCXQHPQGL-UHFFFAOYSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CCC(C(C)C)CC1)C1CC1 ZINC000230652061 270089096 /nfs/dbraw/zinc/08/90/96/270089096.db2.gz CEQQAQCXQHPQGL-UHFFFAOYSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)[C@H]1C[C@H]1C ZINC000322037007 270093267 /nfs/dbraw/zinc/09/32/67/270093267.db2.gz NFIIPUCCKKYVSV-SNPRPXQTSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000321766479 270093432 /nfs/dbraw/zinc/09/34/32/270093432.db2.gz DPHCKZRSZSFQFI-FZCLSBEQSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000525874155 270120518 /nfs/dbraw/zinc/12/05/18/270120518.db2.gz NVTSXTITGDTMSS-GJZGRUSLSA-N 2 2 278.415 3.251 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000525874155 270120519 /nfs/dbraw/zinc/12/05/19/270120519.db2.gz NVTSXTITGDTMSS-GJZGRUSLSA-N 2 2 278.415 3.251 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527639884 270130504 /nfs/dbraw/zinc/13/05/04/270130504.db2.gz FXXLIILFFMVJFV-JVPBZIDWSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527847958 270139606 /nfs/dbraw/zinc/13/96/06/270139606.db2.gz QRIUYVXGZJKBAA-USXIJHARSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527847958 270139607 /nfs/dbraw/zinc/13/96/07/270139607.db2.gz QRIUYVXGZJKBAA-USXIJHARSA-N 2 2 270.420 3.039 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000527915500 270143866 /nfs/dbraw/zinc/14/38/66/270143866.db2.gz NWQIZMRTRMFUAE-OAHLLOKOSA-N 2 2 293.773 3.032 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006981 270150778 /nfs/dbraw/zinc/15/07/78/270150778.db2.gz AMRFVWWHFASEKW-HOCLYGCPSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006974 270150706 /nfs/dbraw/zinc/15/07/06/270150706.db2.gz AMRFVWWHFASEKW-GDBMZVCRSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528010781 270151179 /nfs/dbraw/zinc/15/11/79/270151179.db2.gz JPLDKDGYMVMWBM-YOEHRIQHSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528010781 270151180 /nfs/dbraw/zinc/15/11/80/270151180.db2.gz JPLDKDGYMVMWBM-YOEHRIQHSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(C)n1 ZINC000528013710 270151469 /nfs/dbraw/zinc/15/14/69/270151469.db2.gz TVGDCGZSKMAWNK-RHSMWYFYSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(C)n1 ZINC000528013710 270151470 /nfs/dbraw/zinc/15/14/70/270151470.db2.gz TVGDCGZSKMAWNK-RHSMWYFYSA-N 2 2 287.451 3.366 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000529668182 270187552 /nfs/dbraw/zinc/18/75/52/270187552.db2.gz DSHFNZBLQZEHMT-YJBOKZPZSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000529668182 270187553 /nfs/dbraw/zinc/18/75/53/270187553.db2.gz DSHFNZBLQZEHMT-YJBOKZPZSA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530216064 270195653 /nfs/dbraw/zinc/19/56/53/270195653.db2.gz MFDFEGRUILDHGJ-OLZOCXBDSA-N 2 2 250.411 3.073 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530216895 270195697 /nfs/dbraw/zinc/19/56/97/270195697.db2.gz QTPKGLGPFGHLOR-KCXAZCMYSA-N 2 2 256.393 3.109 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218834 270195974 /nfs/dbraw/zinc/19/59/74/270195974.db2.gz JVQSHXALMMVAMC-CABCVRRESA-N 2 2 276.811 3.202 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530217708 270196263 /nfs/dbraw/zinc/19/62/63/270196263.db2.gz HBRARYGNAUZSQD-HOTGVXAUSA-N 2 2 274.383 3.151 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000530286983 270198583 /nfs/dbraw/zinc/19/85/83/270198583.db2.gz OAEARXCSDNLTJW-UHFFFAOYSA-N 2 2 292.814 3.230 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000531687667 270208555 /nfs/dbraw/zinc/20/85/55/270208555.db2.gz ZMCPTIQZUFGQTA-MRXNPFEDSA-N 2 2 274.452 3.428 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000531938647 270211114 /nfs/dbraw/zinc/21/11/14/270211114.db2.gz IQLURABIELLRTN-QGZVFWFLSA-N 2 2 299.418 3.475 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000531979367 270212008 /nfs/dbraw/zinc/21/20/08/270212008.db2.gz FJBCRRIYQLDRNR-PBHICJAKSA-N 2 2 274.452 3.066 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000531979367 270212009 /nfs/dbraw/zinc/21/20/09/270212009.db2.gz FJBCRRIYQLDRNR-PBHICJAKSA-N 2 2 274.452 3.066 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000531975721 270212024 /nfs/dbraw/zinc/21/20/24/270212024.db2.gz SKMTZVNXTWKUME-IJEWVQPXSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000531975721 270212025 /nfs/dbraw/zinc/21/20/25/270212025.db2.gz SKMTZVNXTWKUME-IJEWVQPXSA-N 2 2 252.446 3.274 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000532532368 270217105 /nfs/dbraw/zinc/21/71/05/270217105.db2.gz AZPWXQZMWIQAIS-NVXWUHKLSA-N 2 2 260.425 3.459 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000532532368 270217106 /nfs/dbraw/zinc/21/71/06/270217106.db2.gz AZPWXQZMWIQAIS-NVXWUHKLSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532531201 270217146 /nfs/dbraw/zinc/21/71/46/270217146.db2.gz ZYFPZLOXHROTNM-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532531201 270217147 /nfs/dbraw/zinc/21/71/47/270217147.db2.gz ZYFPZLOXHROTNM-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000236705000 287653276 /nfs/dbraw/zinc/65/32/76/287653276.db2.gz CKQWJLHNUUKPER-SAPNQHFASA-N 2 2 272.436 3.411 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423246592 273685497 /nfs/dbraw/zinc/68/54/97/273685497.db2.gz OASXZDGDRWJVGG-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CCS2 ZINC000423261789 274138661 /nfs/dbraw/zinc/13/86/61/274138661.db2.gz KWBFGTLPJZLNRE-SWLSCSKDSA-N 2 2 294.464 3.195 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242583 274338006 /nfs/dbraw/zinc/33/80/06/274338006.db2.gz FPXIKGOVOSQICL-BVGQSLNGSA-N 2 2 288.410 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242583 274338007 /nfs/dbraw/zinc/33/80/07/274338007.db2.gz FPXIKGOVOSQICL-BVGQSLNGSA-N 2 2 288.410 3.301 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3occc31)CCC2 ZINC000365735612 274824259 /nfs/dbraw/zinc/82/42/59/274824259.db2.gz LQSDDMWNOOVPKN-HIFRSBDPSA-N 2 2 285.391 3.329 20 0 CGADLP c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC[NH2+]2 ZINC000414856999 275064712 /nfs/dbraw/zinc/06/47/12/275064712.db2.gz ZKYXUKBYDXTUIP-RYQLBKOJSA-N 2 2 285.435 3.377 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000087816118 275070844 /nfs/dbraw/zinc/07/08/44/275070844.db2.gz BCLMBQNIKQNUGQ-KRWDZBQOSA-N 2 2 283.419 3.231 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCSC2)cc1 ZINC000414853236 275746704 /nfs/dbraw/zinc/74/67/04/275746704.db2.gz XGHILHGZLMDZOI-HOTGVXAUSA-N 2 2 278.465 3.295 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423246099 275749495 /nfs/dbraw/zinc/74/94/95/275749495.db2.gz PFVLPXLYZBSIIG-KBXCAEBGSA-N 2 2 290.451 3.215 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000353980184 276009298 /nfs/dbraw/zinc/00/92/98/276009298.db2.gz AEHKWKWORREMOO-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000353980184 276009299 /nfs/dbraw/zinc/00/92/99/276009299.db2.gz AEHKWKWORREMOO-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000360946504 276331653 /nfs/dbraw/zinc/33/16/53/276331653.db2.gz JXJIXLMAQDQMMQ-JKSUJKDBSA-N 2 2 293.455 3.282 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289357599 277064733 /nfs/dbraw/zinc/06/47/33/277064733.db2.gz YUCMYHBZBLKITL-DYVFJYSZSA-N 2 2 283.419 3.229 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289357599 277064734 /nfs/dbraw/zinc/06/47/34/277064734.db2.gz YUCMYHBZBLKITL-DYVFJYSZSA-N 2 2 283.419 3.229 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634427 277078388 /nfs/dbraw/zinc/07/83/88/277078388.db2.gz AWJWYIMLWITXNG-DLBZAZTESA-N 2 2 276.399 3.041 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634427 277078389 /nfs/dbraw/zinc/07/83/89/277078389.db2.gz AWJWYIMLWITXNG-DLBZAZTESA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634427 277078390 /nfs/dbraw/zinc/07/83/90/277078390.db2.gz AWJWYIMLWITXNG-DLBZAZTESA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634427 277078391 /nfs/dbraw/zinc/07/83/91/277078391.db2.gz AWJWYIMLWITXNG-DLBZAZTESA-N 2 2 276.399 3.041 20 0 CGADLP C[NH2+]CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423224867 277272569 /nfs/dbraw/zinc/27/25/69/277272569.db2.gz KETDEIKGGTWNLO-QGZVFWFLSA-N 2 2 288.822 3.433 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000417357283 277759357 /nfs/dbraw/zinc/75/93/57/277759357.db2.gz RBJQHQVXHYFRMR-OAHLLOKOSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000343798178 278028993 /nfs/dbraw/zinc/02/89/93/278028993.db2.gz PCRXOYQTJZJQAO-IOASZLSFSA-N 2 2 267.376 3.036 20 0 CGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397657412 288026363 /nfs/dbraw/zinc/02/63/63/288026363.db2.gz DTIPAJNTCJTDKE-HZPDHXFCSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1nc2c(s1)CCCC2 ZINC000332293980 278340528 /nfs/dbraw/zinc/34/05/28/278340528.db2.gz JZJMOUJAOOUELG-GFCCVEGCSA-N 2 2 293.480 3.334 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417360601 278387658 /nfs/dbraw/zinc/38/76/58/278387658.db2.gz XNMCQLPXDMSFSN-LRDDRELGSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)c1ccccc1 ZINC000368102210 278387772 /nfs/dbraw/zinc/38/77/72/278387772.db2.gz NEFQCXGYTWWIDD-HIFRSBDPSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000368102210 278387774 /nfs/dbraw/zinc/38/77/74/278387774.db2.gz NEFQCXGYTWWIDD-HIFRSBDPSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000283187895 278389298 /nfs/dbraw/zinc/38/92/98/278389298.db2.gz KJVVJWIKQCDPHK-DOMZBBRYSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000037214783 278501136 /nfs/dbraw/zinc/50/11/36/278501136.db2.gz ONFXZTXXOUVNQE-BFYDXBDKSA-N 2 2 287.451 3.465 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C(F)F)CC1 ZINC000442795407 278974679 /nfs/dbraw/zinc/97/46/79/278974679.db2.gz UELNSNCAHOLPGE-RUXDESIVSA-N 2 2 276.415 3.376 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1c(C)noc1C ZINC000423015977 288092068 /nfs/dbraw/zinc/09/20/68/288092068.db2.gz RYNCSXXMIRLZMU-PMPSAXMXSA-N 2 2 285.391 3.477 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336484681 279069026 /nfs/dbraw/zinc/06/90/26/279069026.db2.gz UHPAVGGIGLEMJI-SUMWQHHRSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336484680 279070347 /nfs/dbraw/zinc/07/03/47/279070347.db2.gz UHPAVGGIGLEMJI-GUYCJALGSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346798593 279093642 /nfs/dbraw/zinc/09/36/42/279093642.db2.gz PRVAUUHHNKRBIQ-DQYPLSBCSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CCC[N@H+]1C ZINC000346798593 279093643 /nfs/dbraw/zinc/09/36/43/279093643.db2.gz PRVAUUHHNKRBIQ-DQYPLSBCSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@]3(C)CC=CCC3)n2c1 ZINC000459745960 288101054 /nfs/dbraw/zinc/10/10/54/288101054.db2.gz FPHJYIJPQHLKQQ-INIZCTEOSA-N 2 2 255.365 3.231 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000156558912 279314438 /nfs/dbraw/zinc/31/44/38/279314438.db2.gz VDQMPGXMHMGHRT-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000156558912 279314440 /nfs/dbraw/zinc/31/44/40/279314440.db2.gz VDQMPGXMHMGHRT-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000250223972 279336671 /nfs/dbraw/zinc/33/66/71/279336671.db2.gz FEGKFYLQSDPOGV-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000250223972 279336675 /nfs/dbraw/zinc/33/66/75/279336675.db2.gz FEGKFYLQSDPOGV-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100727 279388338 /nfs/dbraw/zinc/38/83/38/279388338.db2.gz GEKOFEDRRXAASR-IAQYHMDHSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526970971 288154978 /nfs/dbraw/zinc/15/49/78/288154978.db2.gz CWTZOXFSCOVODZ-RDJZCZTQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526970971 288154981 /nfs/dbraw/zinc/15/49/81/288154981.db2.gz CWTZOXFSCOVODZ-RDJZCZTQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970971 288154982 /nfs/dbraw/zinc/15/49/82/288154982.db2.gz CWTZOXFSCOVODZ-RDJZCZTQSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970971 288154984 /nfs/dbraw/zinc/15/49/84/288154984.db2.gz CWTZOXFSCOVODZ-RDJZCZTQSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccncc2Cl)CC(C)(C)[NH2+]1 ZINC000527631538 288177675 /nfs/dbraw/zinc/17/76/75/288177675.db2.gz LKZKTMYGHYRLKH-UHFFFAOYSA-N 2 2 281.831 3.134 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)c2ccsc2S1 ZINC000423275920 280012600 /nfs/dbraw/zinc/01/26/00/280012600.db2.gz MIBVIYVRVDJNAV-UWJYBYFXSA-N 2 2 268.451 3.000 20 0 CGADLP COc1cccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528625105 288209973 /nfs/dbraw/zinc/20/99/73/288209973.db2.gz MSBJBBIOJROLBJ-KRWDZBQOSA-N 2 2 299.418 3.017 20 0 CGADLP COc1cccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC2(C)C)c1 ZINC000528625105 288209979 /nfs/dbraw/zinc/20/99/79/288209979.db2.gz MSBJBBIOJROLBJ-KRWDZBQOSA-N 2 2 299.418 3.017 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000530176819 288294514 /nfs/dbraw/zinc/29/45/14/288294514.db2.gz CNWHBLQBIJUWGF-AWEZNQCLSA-N 2 2 264.800 3.023 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000278787734 281248430 /nfs/dbraw/zinc/24/84/30/281248430.db2.gz PZRHPFRJSROOOI-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000278787734 281248433 /nfs/dbraw/zinc/24/84/33/281248433.db2.gz PZRHPFRJSROOOI-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000531701174 288340747 /nfs/dbraw/zinc/34/07/47/288340747.db2.gz DRMCQKWCMKCILJ-GOSISDBHSA-N 2 2 287.451 3.070 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000531728194 288343949 /nfs/dbraw/zinc/34/39/49/288343949.db2.gz DVOVCGSXASSIFZ-MAUKXSAKSA-N 2 2 290.451 3.468 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000531728194 288343951 /nfs/dbraw/zinc/34/39/51/288343951.db2.gz DVOVCGSXASSIFZ-MAUKXSAKSA-N 2 2 290.451 3.468 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCC2 ZINC000531728949 288344238 /nfs/dbraw/zinc/34/42/38/288344238.db2.gz QXEUBUOJHJZAPF-KBXCAEBGSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCC2 ZINC000531728949 288344239 /nfs/dbraw/zinc/34/42/39/288344239.db2.gz QXEUBUOJHJZAPF-KBXCAEBGSA-N 2 2 288.435 3.004 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000532202791 288355201 /nfs/dbraw/zinc/35/52/01/288355201.db2.gz GGEGXPXUJDIDGK-LJQANCHMSA-N 2 2 286.463 3.329 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532447567 288361315 /nfs/dbraw/zinc/36/13/15/288361315.db2.gz XWGWWQDLMKHKIA-OFQRWUPVSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532447567 288361317 /nfs/dbraw/zinc/36/13/17/288361317.db2.gz XWGWWQDLMKHKIA-OFQRWUPVSA-N 2 2 276.424 3.075 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341529440 289035969 /nfs/dbraw/zinc/03/59/69/289035969.db2.gz FVTKWRMMHOKSJO-UHFFFAOYSA-N 2 2 280.378 3.285 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000549228795 289038483 /nfs/dbraw/zinc/03/84/83/289038483.db2.gz NZJZQDNOOXJFTP-WBAXXEDZSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000549228795 289038485 /nfs/dbraw/zinc/03/84/85/289038485.db2.gz NZJZQDNOOXJFTP-WBAXXEDZSA-N 2 2 272.436 3.253 20 0 CGADLP CC1=CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000550885591 289088659 /nfs/dbraw/zinc/08/86/59/289088659.db2.gz HHSMSCPXXHBIIZ-INIZCTEOSA-N 2 2 267.376 3.461 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000550886665 289088726 /nfs/dbraw/zinc/08/87/26/289088726.db2.gz PPJMOFVSKWWXMY-JKSUJKDBSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570591 289122925 /nfs/dbraw/zinc/12/29/25/289122925.db2.gz XDWRYYUXAVVVHX-KBXCAEBGSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570591 289122926 /nfs/dbraw/zinc/12/29/26/289122926.db2.gz XDWRYYUXAVVVHX-KBXCAEBGSA-N 2 2 288.435 3.048 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000551581186 289123332 /nfs/dbraw/zinc/12/33/32/289123332.db2.gz BFDJMFNMYQUVFY-CRAIPNDOSA-N 2 2 288.435 3.244 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000551581188 289123918 /nfs/dbraw/zinc/12/39/18/289123918.db2.gz BFDJMFNMYQUVFY-QAPCUYQASA-N 2 2 288.435 3.244 20 0 CGADLP FC(F)C1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000551814396 289135365 /nfs/dbraw/zinc/13/53/65/289135365.db2.gz YRSADOVZTAPAFB-UHFFFAOYSA-N 2 2 283.366 3.133 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000552252783 289175976 /nfs/dbraw/zinc/17/59/76/289175976.db2.gz XPRZMOYGZPAONY-NVXWUHKLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(C)c1 ZINC000552252783 289175978 /nfs/dbraw/zinc/17/59/78/289175978.db2.gz XPRZMOYGZPAONY-NVXWUHKLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312413 289268055 /nfs/dbraw/zinc/26/80/55/289268055.db2.gz UOOLGOPABRAMNH-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312413 289268060 /nfs/dbraw/zinc/26/80/60/289268060.db2.gz UOOLGOPABRAMNH-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312413 289268062 /nfs/dbraw/zinc/26/80/62/289268062.db2.gz UOOLGOPABRAMNH-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cn2)C[C@H]1C ZINC000554312413 289268065 /nfs/dbraw/zinc/26/80/65/289268065.db2.gz UOOLGOPABRAMNH-DOMZBBRYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312415 289268209 /nfs/dbraw/zinc/26/82/09/289268209.db2.gz UOOLGOPABRAMNH-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312415 289268212 /nfs/dbraw/zinc/26/82/12/289268212.db2.gz UOOLGOPABRAMNH-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312415 289268214 /nfs/dbraw/zinc/26/82/14/289268214.db2.gz UOOLGOPABRAMNH-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312415 289268217 /nfs/dbraw/zinc/26/82/17/289268217.db2.gz UOOLGOPABRAMNH-SWLSCSKDSA-N 2 2 281.831 3.040 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554348400 289273057 /nfs/dbraw/zinc/27/30/57/289273057.db2.gz AVWMQTZLOUTMNO-FHWLQOOXSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554348400 289273060 /nfs/dbraw/zinc/27/30/60/289273060.db2.gz AVWMQTZLOUTMNO-FHWLQOOXSA-N 2 2 284.447 3.429 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1C=CCCCCC1)CC2 ZINC000555419605 289344463 /nfs/dbraw/zinc/34/44/63/289344463.db2.gz NTJDLQNZRSJCNB-INIZCTEOSA-N 2 2 262.441 3.436 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@H]1C=CCCCCC1)CC2 ZINC000555419605 289344464 /nfs/dbraw/zinc/34/44/64/289344464.db2.gz NTJDLQNZRSJCNB-INIZCTEOSA-N 2 2 262.441 3.436 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC000556586444 289399305 /nfs/dbraw/zinc/39/93/05/289399305.db2.gz UIYFUQBDIMMQNO-JKSUJKDBSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000558653254 289509740 /nfs/dbraw/zinc/50/97/40/289509740.db2.gz ZWIHEZQDSURMAF-SIWZUTFBSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000562522621 289711332 /nfs/dbraw/zinc/71/13/32/289711332.db2.gz YBGMICBUMJTZAO-IPYPFGDCSA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000091307934 295216157 /nfs/dbraw/zinc/21/61/57/295216157.db2.gz ZPTHNZCDYSWIPC-RDJZCZTQSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000091307934 295216158 /nfs/dbraw/zinc/21/61/58/295216158.db2.gz ZPTHNZCDYSWIPC-RDJZCZTQSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)cc1 ZINC000515470177 295240295 /nfs/dbraw/zinc/24/02/95/295240295.db2.gz LOFKQAQMEZZBRQ-JQFCIGGWSA-N 2 2 290.451 3.322 20 0 CGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000285467650 295391450 /nfs/dbraw/zinc/39/14/50/295391450.db2.gz NLZZNQDXMKZFHR-RDJZCZTQSA-N 2 2 299.418 3.365 20 0 CGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000285467650 295391451 /nfs/dbraw/zinc/39/14/51/295391451.db2.gz NLZZNQDXMKZFHR-RDJZCZTQSA-N 2 2 299.418 3.365 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367080839 298790952 /nfs/dbraw/zinc/79/09/52/298790952.db2.gz OKWNKFCNRRJGRZ-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155001122 321755018 /nfs/dbraw/zinc/75/50/18/321755018.db2.gz MLQNPTQDBGCDDA-UHFFFAOYSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000563804419 322010992 /nfs/dbraw/zinc/01/09/92/322010992.db2.gz FBHHFLVNQKHMJA-UNQGMJICSA-N 2 2 262.397 3.153 20 0 CGADLP CSCc1cc(F)ccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000564227856 322023932 /nfs/dbraw/zinc/02/39/32/322023932.db2.gz SUMYUUSWHZRVRZ-UHFFFAOYSA-N 2 2 293.411 3.020 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)n1C ZINC000565242599 322069916 /nfs/dbraw/zinc/06/99/16/322069916.db2.gz PWBIZHZITOBOGG-MRXNPFEDSA-N 2 2 273.355 3.035 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)n1C ZINC000565672555 322086423 /nfs/dbraw/zinc/08/64/23/322086423.db2.gz WVNSRXKOAHPMCB-MRXNPFEDSA-N 2 2 269.392 3.241 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccncc1C)[NH+](C)C ZINC000565756222 322089895 /nfs/dbraw/zinc/08/98/95/322089895.db2.gz NBHZXSPVFWCOPK-APWZRJJASA-N 2 2 297.446 3.479 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000566365953 322118971 /nfs/dbraw/zinc/11/89/71/322118971.db2.gz ZXKKLQRNGGVHHI-WQAKAFBOSA-N 2 2 296.867 3.461 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000566365953 322118974 /nfs/dbraw/zinc/11/89/74/322118974.db2.gz ZXKKLQRNGGVHHI-WQAKAFBOSA-N 2 2 296.867 3.461 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)n1C ZINC000566498419 322126827 /nfs/dbraw/zinc/12/68/27/322126827.db2.gz ARVMHNDWKYMGPX-QGZVFWFLSA-N 2 2 289.398 3.225 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000566614168 322131396 /nfs/dbraw/zinc/13/13/96/322131396.db2.gz SFUQDJSNXKQAMQ-BODMPHMZSA-N 2 2 298.430 3.451 20 0 CGADLP CCSCC[C@@H](C)[N@H+](C)CCc1cc[nH+]cc1C ZINC000567781575 322177811 /nfs/dbraw/zinc/17/78/11/322177811.db2.gz JOVICMQAKSVPML-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP CCSCC[C@@H](C)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000567781575 322177813 /nfs/dbraw/zinc/17/78/13/322177813.db2.gz JOVICMQAKSVPML-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799889 322223260 /nfs/dbraw/zinc/22/32/60/322223260.db2.gz GJMONIKKPCCDPE-YOEHRIQHSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799889 322223262 /nfs/dbraw/zinc/22/32/62/322223262.db2.gz GJMONIKKPCCDPE-YOEHRIQHSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799889 322223265 /nfs/dbraw/zinc/22/32/65/322223265.db2.gz GJMONIKKPCCDPE-YOEHRIQHSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799889 322223268 /nfs/dbraw/zinc/22/32/68/322223268.db2.gz GJMONIKKPCCDPE-YOEHRIQHSA-N 2 2 299.418 3.114 20 0 CGADLP Cc1[nH]c(CNc2ccc(C)cc2C[NH+](C)C)[nH+]c1C ZINC000569867668 322259265 /nfs/dbraw/zinc/25/92/65/322259265.db2.gz KRCKMANPGJGUHV-UHFFFAOYSA-N 2 2 272.396 3.009 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000570009209 322262791 /nfs/dbraw/zinc/26/27/91/322262791.db2.gz SGIDLTGYWZBESG-ZIFCJYIRSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000570009209 322262792 /nfs/dbraw/zinc/26/27/92/322262792.db2.gz SGIDLTGYWZBESG-ZIFCJYIRSA-N 2 2 286.463 3.424 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000570222446 322268074 /nfs/dbraw/zinc/26/80/74/322268074.db2.gz OATZLNZGNLIVTB-KKUMJFAQSA-N 2 2 288.435 3.279 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000570222446 322268075 /nfs/dbraw/zinc/26/80/75/322268075.db2.gz OATZLNZGNLIVTB-KKUMJFAQSA-N 2 2 288.435 3.279 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000570271973 322269273 /nfs/dbraw/zinc/26/92/73/322269273.db2.gz YKTSNQNVBLKSNV-CZUORRHYSA-N 2 2 260.425 3.288 20 0 CGADLP CCC[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000570529464 322275896 /nfs/dbraw/zinc/27/58/96/322275896.db2.gz UHKQAICMCNJREG-CABCVRRESA-N 2 2 263.429 3.425 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000571156560 322291555 /nfs/dbraw/zinc/29/15/55/322291555.db2.gz YRNUCGXXUHAZKI-FUHWJXTLSA-N 3 2 295.515 3.007 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000572326960 322331731 /nfs/dbraw/zinc/33/17/31/322331731.db2.gz OLVFXIWKRAIPIC-KBPBESRZSA-N 2 2 263.429 3.463 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000572326960 322331734 /nfs/dbraw/zinc/33/17/34/322331734.db2.gz OLVFXIWKRAIPIC-KBPBESRZSA-N 2 2 263.429 3.463 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]Cc2ccncc2C)[NH+](C)C)cc1 ZINC000572470638 322339067 /nfs/dbraw/zinc/33/90/67/322339067.db2.gz MNIJACQCSUTPIL-LJQANCHMSA-N 2 2 297.446 3.345 20 0 CGADLP CC(C)C1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000583661206 328729083 /nfs/dbraw/zinc/72/90/83/328729083.db2.gz FHGLCKTZQIXRHW-UHFFFAOYSA-N 2 2 283.419 3.456 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000583693604 329003771 /nfs/dbraw/zinc/00/37/71/329003771.db2.gz ZYRBTPOTQVDLAP-YOEHRIQHSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCC2 ZINC000583693604 329003772 /nfs/dbraw/zinc/00/37/72/329003772.db2.gz ZYRBTPOTQVDLAP-YOEHRIQHSA-N 2 2 290.476 3.470 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000395181830 329278617 /nfs/dbraw/zinc/27/86/17/329278617.db2.gz NTCBVNRWPLANEF-MRXNPFEDSA-N 2 2 272.436 3.082 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000395181830 329278618 /nfs/dbraw/zinc/27/86/18/329278618.db2.gz NTCBVNRWPLANEF-MRXNPFEDSA-N 2 2 272.436 3.082 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000580445154 330139480 /nfs/dbraw/zinc/13/94/80/330139480.db2.gz LABQINBRHDDALG-INIZCTEOSA-N 2 2 287.432 3.272 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000576160490 335162482 /nfs/dbraw/zinc/16/24/82/335162482.db2.gz KAVDOAMCZQVNSW-CABCVRRESA-N 2 2 250.361 3.193 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670041 335232956 /nfs/dbraw/zinc/23/29/56/335232956.db2.gz MOGBKLYOOLPRLX-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670041 335232958 /nfs/dbraw/zinc/23/29/58/335232958.db2.gz MOGBKLYOOLPRLX-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670041 335232959 /nfs/dbraw/zinc/23/29/59/335232959.db2.gz MOGBKLYOOLPRLX-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670041 335232961 /nfs/dbraw/zinc/23/29/61/335232961.db2.gz MOGBKLYOOLPRLX-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000576792490 335248225 /nfs/dbraw/zinc/24/82/25/335248225.db2.gz NTXVPPIHIDGDAQ-QCEMKRCNSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000576792490 335248226 /nfs/dbraw/zinc/24/82/26/335248226.db2.gz NTXVPPIHIDGDAQ-QCEMKRCNSA-N 2 2 262.441 3.194 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)n1C ZINC000577769645 335400047 /nfs/dbraw/zinc/40/00/47/335400047.db2.gz RWUMGCAZKULSFA-JTQLQIEISA-N 2 2 295.333 3.181 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2csc(-c3ccccc3)n2)n1C ZINC000581737725 336140849 /nfs/dbraw/zinc/14/08/49/336140849.db2.gz PVSXUXPBQUTCSI-UHFFFAOYSA-N 2 2 298.415 3.142 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388202 336193457 /nfs/dbraw/zinc/19/34/57/336193457.db2.gz HXPFQHIDIKGRAO-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388202 336193459 /nfs/dbraw/zinc/19/34/59/336193459.db2.gz HXPFQHIDIKGRAO-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000449400861 533726057 /nfs/dbraw/zinc/72/60/57/533726057.db2.gz DMKGHVHATULYBM-DNVCBOLYSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000449400861 533726063 /nfs/dbraw/zinc/72/60/63/533726063.db2.gz DMKGHVHATULYBM-DNVCBOLYSA-N 2 2 295.430 3.000 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000436404008 533765301 /nfs/dbraw/zinc/76/53/01/533765301.db2.gz BZEBOOPSWAKWFF-RYUDHWBXSA-N 2 2 261.394 3.212 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cccc12 ZINC000449078372 533837817 /nfs/dbraw/zinc/83/78/17/533837817.db2.gz UROILMNFDVWQJA-AWEZNQCLSA-N 2 2 295.386 3.223 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423231351 533897201 /nfs/dbraw/zinc/89/72/01/533897201.db2.gz ATNZQBMHMRTHBU-ZBEGNZNMSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)C[N@H+](Cc2ccccc2)C1 ZINC000425354564 533966790 /nfs/dbraw/zinc/96/67/90/533966790.db2.gz NCKLEOFNOMMYQR-PVAVHDDUSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)C[N@@H+](Cc2ccccc2)C1 ZINC000425354564 533966793 /nfs/dbraw/zinc/96/67/93/533966793.db2.gz NCKLEOFNOMMYQR-PVAVHDDUSA-N 2 2 270.420 3.039 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000425360747 533988818 /nfs/dbraw/zinc/98/88/18/533988818.db2.gz SUBJMIXKWGATOB-HRCADAONSA-N 2 2 278.465 3.081 20 0 CGADLP Cc1cc2[nH]c(C[NH2+]CCCn3cc[nH+]c3)cc2c(C)c1 ZINC000359078672 534056424 /nfs/dbraw/zinc/05/64/24/534056424.db2.gz KJPKODDXTRXVKM-UHFFFAOYSA-N 2 2 282.391 3.161 20 0 CGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)c1cc(F)cc(F)c1 ZINC000449265351 534057687 /nfs/dbraw/zinc/05/76/87/534057687.db2.gz PQMKXCHXHHKCNG-LBPRGKRZSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000359709795 534065201 /nfs/dbraw/zinc/06/52/01/534065201.db2.gz BIIXVWXXRZECAZ-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000356108003 534207308 /nfs/dbraw/zinc/20/73/08/534207308.db2.gz ICGHGBPJPZMJNV-CYBMUJFWSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000356108003 534207309 /nfs/dbraw/zinc/20/73/09/534207309.db2.gz ICGHGBPJPZMJNV-CYBMUJFWSA-N 2 2 296.505 3.388 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423234268 534427849 /nfs/dbraw/zinc/42/78/49/534427849.db2.gz FKMYGPGJNWIFET-QZTJIDSGSA-N 2 2 296.414 3.498 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804216 534452534 /nfs/dbraw/zinc/45/25/34/534452534.db2.gz XLJCZWCOKNGXHM-FZKQIMNGSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804216 534452544 /nfs/dbraw/zinc/45/25/44/534452544.db2.gz XLJCZWCOKNGXHM-FZKQIMNGSA-N 2 2 270.420 3.136 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423535504 534502739 /nfs/dbraw/zinc/50/27/39/534502739.db2.gz YAHSKNJOCTYRIL-GBESFXJTSA-N 2 2 296.389 3.158 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000414358123 534575103 /nfs/dbraw/zinc/57/51/03/534575103.db2.gz FQUHVTBTHQXAQA-AWEZNQCLSA-N 2 2 299.418 3.298 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037643683 521717282 /nfs/dbraw/zinc/71/72/82/521717282.db2.gz OZHYXBHWAUBQJT-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037643683 521717283 /nfs/dbraw/zinc/71/72/83/521717283.db2.gz OZHYXBHWAUBQJT-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000087472320 521993680 /nfs/dbraw/zinc/99/36/80/521993680.db2.gz NTXCOFCNDGPQID-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000087472320 521993689 /nfs/dbraw/zinc/99/36/89/521993689.db2.gz NTXCOFCNDGPQID-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1F ZINC000449038080 534711270 /nfs/dbraw/zinc/71/12/70/534711270.db2.gz RIFNRCSOVVOZKO-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1F ZINC000449038080 534711278 /nfs/dbraw/zinc/71/12/78/534711278.db2.gz RIFNRCSOVVOZKO-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1F ZINC000449038080 534711282 /nfs/dbraw/zinc/71/12/82/534711282.db2.gz RIFNRCSOVVOZKO-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1F ZINC000449038080 534711284 /nfs/dbraw/zinc/71/12/84/534711284.db2.gz RIFNRCSOVVOZKO-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157086128 524860238 /nfs/dbraw/zinc/86/02/38/524860238.db2.gz CENMRMLISBKZHP-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000157086128 524860249 /nfs/dbraw/zinc/86/02/49/524860249.db2.gz CENMRMLISBKZHP-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423376019 534879401 /nfs/dbraw/zinc/87/94/01/534879401.db2.gz YEJSBQSZQBMAHD-MDZLAQPJSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027513 526063297 /nfs/dbraw/zinc/06/32/97/526063297.db2.gz OBOWQDQHJUIGLS-PWSUYJOCSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027513 526063308 /nfs/dbraw/zinc/06/33/08/526063308.db2.gz OBOWQDQHJUIGLS-PWSUYJOCSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCn1cc[nH+]c1 ZINC000184285328 526180705 /nfs/dbraw/zinc/18/07/05/526180705.db2.gz DLQQXNRGESSUFQ-GFCCVEGCSA-N 2 2 286.404 3.186 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000184285328 526180711 /nfs/dbraw/zinc/18/07/11/526180711.db2.gz DLQQXNRGESSUFQ-GFCCVEGCSA-N 2 2 286.404 3.186 20 0 CGADLP Cc1nocc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000339355630 526690302 /nfs/dbraw/zinc/69/03/02/526690302.db2.gz FGZWJOKHNSYNOE-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428288648 527477088 /nfs/dbraw/zinc/47/70/88/527477088.db2.gz YGYWPUPUNYMMFJ-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000428288648 527477091 /nfs/dbraw/zinc/47/70/91/527477091.db2.gz YGYWPUPUNYMMFJ-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028348 527836346 /nfs/dbraw/zinc/83/63/46/527836346.db2.gz LMAITTBQGDRAOP-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028348 527836351 /nfs/dbraw/zinc/83/63/51/527836351.db2.gz LMAITTBQGDRAOP-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028348 527836353 /nfs/dbraw/zinc/83/63/53/527836353.db2.gz LMAITTBQGDRAOP-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028348 527836358 /nfs/dbraw/zinc/83/63/58/527836358.db2.gz LMAITTBQGDRAOP-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103165 527851007 /nfs/dbraw/zinc/85/10/07/527851007.db2.gz SUYHZGOIIDLZQF-KBPBESRZSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103165 527851015 /nfs/dbraw/zinc/85/10/15/527851015.db2.gz SUYHZGOIIDLZQF-KBPBESRZSA-N 2 2 261.413 3.071 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000437100513 527975776 /nfs/dbraw/zinc/97/57/76/527975776.db2.gz VIMFIJYITXWXMN-WZGPROSRSA-N 2 2 286.463 3.328 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000437100513 527975781 /nfs/dbraw/zinc/97/57/81/527975781.db2.gz VIMFIJYITXWXMN-WZGPROSRSA-N 2 2 286.463 3.328 20 0 CGADLP CC1=CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000437354287 528103728 /nfs/dbraw/zinc/10/37/28/528103728.db2.gz LIGVWSBGHYYVAU-UHFFFAOYSA-N 2 2 259.378 3.086 20 0 CGADLP CC1=CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000437354287 528103736 /nfs/dbraw/zinc/10/37/36/528103736.db2.gz LIGVWSBGHYYVAU-UHFFFAOYSA-N 2 2 259.378 3.086 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000427579581 528136831 /nfs/dbraw/zinc/13/68/31/528136831.db2.gz UYWDVVAHCOMWQQ-KRWDZBQOSA-N 2 2 262.441 3.185 20 0 CGADLP CC1CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000019233154 528202502 /nfs/dbraw/zinc/20/25/02/528202502.db2.gz LTQQBPLEGAZYIL-PREGVCBESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365643772 528211902 /nfs/dbraw/zinc/21/19/02/528211902.db2.gz XGQFDJZZXNAVOW-HNNXBMFYSA-N 2 2 295.496 3.379 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365643772 528211905 /nfs/dbraw/zinc/21/19/05/528211905.db2.gz XGQFDJZZXNAVOW-HNNXBMFYSA-N 2 2 295.496 3.379 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423229755 528333420 /nfs/dbraw/zinc/33/34/20/528333420.db2.gz BYJMPYTVVTWMJV-IBGZPJMESA-N 2 2 298.430 3.178 20 0 CGADLP CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072980267 528392182 /nfs/dbraw/zinc/39/21/82/528392182.db2.gz AJQHARQYGMPSLA-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072980267 528392194 /nfs/dbraw/zinc/39/21/94/528392194.db2.gz AJQHARQYGMPSLA-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000423392077 528422675 /nfs/dbraw/zinc/42/26/75/528422675.db2.gz XJCZYUIUNUWNHY-OLZOCXBDSA-N 2 2 254.443 3.423 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C(C)C ZINC000427722412 528493274 /nfs/dbraw/zinc/49/32/74/528493274.db2.gz LRZHKTHZEKDUBV-QGZVFWFLSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000427722412 528493280 /nfs/dbraw/zinc/49/32/80/528493280.db2.gz LRZHKTHZEKDUBV-QGZVFWFLSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437107219 528493292 /nfs/dbraw/zinc/49/32/92/528493292.db2.gz YNDVYJFQVRHWAJ-QGZVFWFLSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423311420 528512039 /nfs/dbraw/zinc/51/20/39/528512039.db2.gz QAQMQYJKRWDXHW-ZDUSSCGKSA-N 2 2 260.381 3.391 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423310137 528514796 /nfs/dbraw/zinc/51/47/96/528514796.db2.gz MVBSPXQNLFTDFN-MRXNPFEDSA-N 2 2 264.413 3.409 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423318009 528517464 /nfs/dbraw/zinc/51/74/64/528517464.db2.gz YYTNBLJAGCYMPA-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CC[N@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CC1 ZINC000367602706 528518465 /nfs/dbraw/zinc/51/84/65/528518465.db2.gz VRCJAQRNNIRTBM-INIZCTEOSA-N 2 2 290.455 3.105 20 0 CGADLP CC[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CC1 ZINC000367602706 528518473 /nfs/dbraw/zinc/51/84/73/528518473.db2.gz VRCJAQRNNIRTBM-INIZCTEOSA-N 2 2 290.455 3.105 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423243638 528591006 /nfs/dbraw/zinc/59/10/06/528591006.db2.gz WRJRPELZUMLLDG-RHSMWYFYSA-N 2 2 272.392 3.472 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368102169 528598617 /nfs/dbraw/zinc/59/86/17/528598617.db2.gz MSVMXIMTRQOCST-RHSMWYFYSA-N 2 2 269.392 3.254 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368102169 528598626 /nfs/dbraw/zinc/59/86/26/528598626.db2.gz MSVMXIMTRQOCST-RHSMWYFYSA-N 2 2 269.392 3.254 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000359627950 528818999 /nfs/dbraw/zinc/81/89/99/528818999.db2.gz DJAPHFKJKDOQNJ-LLVKDONJSA-N 2 2 288.357 3.485 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000359627950 528819002 /nfs/dbraw/zinc/81/90/02/528819002.db2.gz DJAPHFKJKDOQNJ-LLVKDONJSA-N 2 2 288.357 3.485 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423293568 528823412 /nfs/dbraw/zinc/82/34/12/528823412.db2.gz AFBRIIHKOASFPK-CABCVRRESA-N 2 2 286.423 3.040 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423391007 528948500 /nfs/dbraw/zinc/94/85/00/528948500.db2.gz OYGRNAZPBHIUME-CVEARBPZSA-N 2 2 291.414 3.040 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423287447 528953485 /nfs/dbraw/zinc/95/34/85/528953485.db2.gz MITRYPYHDMNXBK-SECBINFHSA-N 2 2 274.330 3.272 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423293350 528954388 /nfs/dbraw/zinc/95/43/88/528954388.db2.gz RAWCQBNIGOULOA-NSHDSACASA-N 2 2 286.341 3.198 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000368099918 529020089 /nfs/dbraw/zinc/02/00/89/529020089.db2.gz GRXSTEIWBOZSGS-CHWSQXEVSA-N 2 2 275.421 3.460 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000368099918 529020096 /nfs/dbraw/zinc/02/00/96/529020096.db2.gz GRXSTEIWBOZSGS-CHWSQXEVSA-N 2 2 275.421 3.460 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423277711 529070960 /nfs/dbraw/zinc/07/09/60/529070960.db2.gz PYAWAZQIXYPNQB-NOZJJQNGSA-N 2 2 258.768 3.113 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423239781 529175315 /nfs/dbraw/zinc/17/53/15/529175315.db2.gz SLTVTQKASDVALO-VHSXEESVSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1F ZINC000423515317 529206596 /nfs/dbraw/zinc/20/65/96/529206596.db2.gz XJPQFYUAOZMJQO-HZPDHXFCSA-N 2 2 264.388 3.384 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423193408 529207440 /nfs/dbraw/zinc/20/74/40/529207440.db2.gz QNXXXHLMJBNSPM-GXTWGEPZSA-N 2 2 284.350 3.081 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414128412 529257799 /nfs/dbraw/zinc/25/77/99/529257799.db2.gz RWOSAYFEASHEGM-ZDUSSCGKSA-N 2 2 289.448 3.425 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484615376 535245872 /nfs/dbraw/zinc/24/58/72/535245872.db2.gz HRZYPSKQCDXFSD-RDJZCZTQSA-N 2 2 290.451 3.356 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000484615376 535245875 /nfs/dbraw/zinc/24/58/75/535245875.db2.gz HRZYPSKQCDXFSD-RDJZCZTQSA-N 2 2 290.451 3.356 20 0 CGADLP CC(C)c1cnc(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000459663398 535377188 /nfs/dbraw/zinc/37/71/88/535377188.db2.gz XGQOXBVMCLQREQ-UHFFFAOYSA-N 2 2 286.404 3.204 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CCCCC1 ZINC000482538760 535804344 /nfs/dbraw/zinc/80/43/44/535804344.db2.gz ARSDZDOVEIENJZ-CZUORRHYSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CCCCC1 ZINC000482538760 535804345 /nfs/dbraw/zinc/80/43/45/535804345.db2.gz ARSDZDOVEIENJZ-CZUORRHYSA-N 2 2 252.446 3.418 20 0 CGADLP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000731450510 572413474 /nfs/dbraw/zinc/41/34/74/572413474.db2.gz DWKGJRCHASDPLT-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000731450510 572413476 /nfs/dbraw/zinc/41/34/76/572413476.db2.gz DWKGJRCHASDPLT-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@H]1CC[N@H+](CCOc2ccc([NH2+]CC3CC3)cc2)C1 ZINC000744447497 572753623 /nfs/dbraw/zinc/75/36/23/572753623.db2.gz QGOMUSSSKBLEPJ-AWEZNQCLSA-N 2 2 274.408 3.229 20 0 CGADLP C[C@H]1CC[N@@H+](CCOc2ccc([NH2+]CC3CC3)cc2)C1 ZINC000744447497 572753626 /nfs/dbraw/zinc/75/36/26/572753626.db2.gz QGOMUSSSKBLEPJ-AWEZNQCLSA-N 2 2 274.408 3.229 20 0 CGADLP CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045915 573077700 /nfs/dbraw/zinc/07/77/00/573077700.db2.gz XLPFBDJTYOJVIA-MRXNPFEDSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045915 573077705 /nfs/dbraw/zinc/07/77/05/573077705.db2.gz XLPFBDJTYOJVIA-MRXNPFEDSA-N 2 2 284.407 3.278 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101613 618530719 /nfs/dbraw/zinc/53/07/19/618530719.db2.gz AMAYLHZBDSGGPL-IUODEOHRSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101613 618530723 /nfs/dbraw/zinc/53/07/23/618530723.db2.gz AMAYLHZBDSGGPL-IUODEOHRSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101613 618530729 /nfs/dbraw/zinc/53/07/29/618530729.db2.gz AMAYLHZBDSGGPL-IUODEOHRSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101613 618530733 /nfs/dbraw/zinc/53/07/33/618530733.db2.gz AMAYLHZBDSGGPL-IUODEOHRSA-N 2 2 296.842 3.350 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1csnn1 ZINC000926590057 618755168 /nfs/dbraw/zinc/75/51/68/618755168.db2.gz KDUOPNIUPHZJOX-RYUDHWBXSA-N 2 2 290.436 3.012 20 0 CGADLP CCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000892631547 618880833 /nfs/dbraw/zinc/88/08/33/618880833.db2.gz IISOKYQLVPSBIX-UHFFFAOYSA-N 2 2 280.412 3.031 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2o1 ZINC000925780473 619242852 /nfs/dbraw/zinc/24/28/52/619242852.db2.gz SPUOIFZMOGRDAJ-DGCLKSJQSA-N 2 2 294.345 3.328 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094370384 619244712 /nfs/dbraw/zinc/24/47/12/619244712.db2.gz ZWCGBMZIWSNXAQ-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000317319200 619247713 /nfs/dbraw/zinc/24/77/13/619247713.db2.gz YYDRJHPVQFXYTG-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP Fc1cccc(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000893980136 619344052 /nfs/dbraw/zinc/34/40/52/619344052.db2.gz INCQIKQQGPZULW-RQOWECAXSA-N 2 2 285.366 3.442 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000893994133 619345185 /nfs/dbraw/zinc/34/51/85/619345185.db2.gz IOOLDAXKDFAOFD-GFCCVEGCSA-N 2 2 277.393 3.035 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000893994133 619345187 /nfs/dbraw/zinc/34/51/87/619345187.db2.gz IOOLDAXKDFAOFD-GFCCVEGCSA-N 2 2 277.393 3.035 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000894052197 619359648 /nfs/dbraw/zinc/35/96/48/619359648.db2.gz BGBOTSZSJWDYGU-CQSZACIVSA-N 2 2 294.464 3.309 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000894052197 619359651 /nfs/dbraw/zinc/35/96/51/619359651.db2.gz BGBOTSZSJWDYGU-CQSZACIVSA-N 2 2 294.464 3.309 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000894573953 619580125 /nfs/dbraw/zinc/58/01/25/619580125.db2.gz YHLLKIDOEORYCE-GFCCVEGCSA-N 2 2 291.420 3.115 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000894573953 619580127 /nfs/dbraw/zinc/58/01/27/619580127.db2.gz YHLLKIDOEORYCE-GFCCVEGCSA-N 2 2 291.420 3.115 20 0 CGADLP CC[C@@H](C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110142 619733356 /nfs/dbraw/zinc/73/33/56/619733356.db2.gz ATARATVEKUZPRE-RBSFLKMASA-N 2 2 261.413 3.204 20 0 CGADLP Cc1cnccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113452 619736787 /nfs/dbraw/zinc/73/67/87/619736787.db2.gz WQWJPWSTNNOUIE-QAQDUYKDSA-N 2 2 296.418 3.062 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000895190579 619774258 /nfs/dbraw/zinc/77/42/58/619774258.db2.gz VIEVPUMJGXMFMI-MSOLQXFVSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000895190579 619774263 /nfs/dbraw/zinc/77/42/63/619774263.db2.gz VIEVPUMJGXMFMI-MSOLQXFVSA-N 2 2 299.462 3.151 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccncc1Cl ZINC000895376532 619815675 /nfs/dbraw/zinc/81/56/75/619815675.db2.gz COJIDYJMEFKEPE-CJNGLKHVSA-N 2 2 295.858 3.287 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccncc1Cl ZINC000895376532 619815678 /nfs/dbraw/zinc/81/56/78/619815678.db2.gz COJIDYJMEFKEPE-CJNGLKHVSA-N 2 2 295.858 3.287 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000896714343 620050567 /nfs/dbraw/zinc/05/05/67/620050567.db2.gz BRNJXSXAXGWKKA-ZBFHGGJFSA-N 2 2 295.496 3.196 20 0 CGADLP C[NH+](C)Cc1cnc(CNc2ccc(C3CC3)c[nH+]2)s1 ZINC000897715899 620422825 /nfs/dbraw/zinc/42/28/25/620422825.db2.gz RZMKNMRKRUOWBE-UHFFFAOYSA-N 2 2 288.420 3.089 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000898017821 620467165 /nfs/dbraw/zinc/46/71/65/620467165.db2.gz UGXPJFLKZGAWAS-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000898017821 620467169 /nfs/dbraw/zinc/46/71/69/620467169.db2.gz UGXPJFLKZGAWAS-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCC(F)(F)F ZINC000898316043 620511708 /nfs/dbraw/zinc/51/17/08/620511708.db2.gz GMRFELPXXHJGRJ-NEPJUHHUSA-N 2 2 268.367 3.283 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccns1 ZINC000924623039 620542745 /nfs/dbraw/zinc/54/27/45/620542745.db2.gz FNJNKWLDEFIDCN-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927108565 620577689 /nfs/dbraw/zinc/57/76/89/620577689.db2.gz LLHDYDMCSOKPIU-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927108565 620577690 /nfs/dbraw/zinc/57/76/90/620577690.db2.gz LLHDYDMCSOKPIU-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)cc(Cl)c1 ZINC000902418023 621310701 /nfs/dbraw/zinc/31/07/01/621310701.db2.gz UKDBLHBYOINPDU-QMMMGPOBSA-N 2 2 259.180 3.135 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000902428749 621314411 /nfs/dbraw/zinc/31/44/11/621314411.db2.gz HORXXDKAIGBCPM-ZIAGYGMSSA-N 2 2 282.815 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC(F)(F)CC1 ZINC000902435391 621318377 /nfs/dbraw/zinc/31/83/77/621318377.db2.gz SRFBQZFQNYFDEP-IUIKQTSFSA-N 2 2 294.389 3.415 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(Cl)c1 ZINC000902473126 621324303 /nfs/dbraw/zinc/32/43/03/621324303.db2.gz RMIGDAHADSJGRZ-CBBWQLFWSA-N 2 2 264.800 3.274 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902474620 621324967 /nfs/dbraw/zinc/32/49/67/621324967.db2.gz GJLMBCMTAOPTGE-YYIAUSFCSA-N 2 2 258.409 3.256 20 0 CGADLP c1ccc(NCCCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)[nH+]c1 ZINC000902789415 621447113 /nfs/dbraw/zinc/44/71/13/621447113.db2.gz JVNVTMBPXONRQQ-HUUCEWRRSA-N 2 2 273.424 3.442 20 0 CGADLP CCO[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000902790808 621447963 /nfs/dbraw/zinc/44/79/63/621447963.db2.gz SAZSFFWPGQDCJE-CVEARBPZSA-N 2 2 291.439 3.211 20 0 CGADLP CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871875 621474970 /nfs/dbraw/zinc/47/49/70/621474970.db2.gz AMVVQLYAGAPVPJ-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903054702 621545625 /nfs/dbraw/zinc/54/56/25/621545625.db2.gz OONFOCSTHFWYBN-BZSNNMDCSA-N 2 2 294.483 3.046 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903054702 621545628 /nfs/dbraw/zinc/54/56/28/621545628.db2.gz OONFOCSTHFWYBN-BZSNNMDCSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H]1C ZINC000903222127 621634153 /nfs/dbraw/zinc/63/41/53/621634153.db2.gz WGKBPQNDKQXDLT-IATRGZMQSA-N 2 2 295.496 3.365 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381143 621722269 /nfs/dbraw/zinc/72/22/69/621722269.db2.gz RSTYMENWXILDGP-YESZJQIVSA-N 2 2 275.440 3.099 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422268 621750804 /nfs/dbraw/zinc/75/08/04/621750804.db2.gz VZJWQPOPHGVZCL-DRPJVOAASA-N 2 2 294.389 3.237 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422268 621750805 /nfs/dbraw/zinc/75/08/05/621750805.db2.gz VZJWQPOPHGVZCL-DRPJVOAASA-N 2 2 294.389 3.237 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC000903845263 621820458 /nfs/dbraw/zinc/82/04/58/621820458.db2.gz GLURTLQTSPXFNG-BIMULSAOSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC000903845263 621820460 /nfs/dbraw/zinc/82/04/60/621820460.db2.gz GLURTLQTSPXFNG-BIMULSAOSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856170 621821110 /nfs/dbraw/zinc/82/11/10/621821110.db2.gz QRLKQTLCDZODSH-TZMCWYRMSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856170 621821111 /nfs/dbraw/zinc/82/11/11/621821111.db2.gz QRLKQTLCDZODSH-TZMCWYRMSA-N 2 2 284.325 3.019 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888930 621823238 /nfs/dbraw/zinc/82/32/38/621823238.db2.gz NCIKHVFBUZNXIW-HZPDHXFCSA-N 2 2 296.405 3.232 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888930 621823239 /nfs/dbraw/zinc/82/32/39/621823239.db2.gz NCIKHVFBUZNXIW-HZPDHXFCSA-N 2 2 296.405 3.232 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(F)cc1F ZINC000903922845 621833525 /nfs/dbraw/zinc/83/35/25/621833525.db2.gz GFANSTARCDJNPW-GXFFZTMASA-N 2 2 292.320 3.378 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903932912 621834578 /nfs/dbraw/zinc/83/45/78/621834578.db2.gz IASBIHQVVCNTCF-LBPRGKRZSA-N 2 2 260.372 3.015 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000903932912 621834579 /nfs/dbraw/zinc/83/45/79/621834579.db2.gz IASBIHQVVCNTCF-LBPRGKRZSA-N 2 2 260.372 3.015 20 0 CGADLP CC1(C)CCC[C@H](C[N@@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000903942589 621839280 /nfs/dbraw/zinc/83/92/80/621839280.db2.gz RJRACPXAXQFSFD-LBPRGKRZSA-N 2 2 293.480 3.176 20 0 CGADLP CC1(C)CCC[C@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000903942589 621839283 /nfs/dbraw/zinc/83/92/83/621839283.db2.gz RJRACPXAXQFSFD-LBPRGKRZSA-N 2 2 293.480 3.176 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299924 621901228 /nfs/dbraw/zinc/90/12/28/621901228.db2.gz RPOVWECBHHMDEZ-LBPRGKRZSA-N 2 2 286.341 3.195 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299924 621901231 /nfs/dbraw/zinc/90/12/31/621901231.db2.gz RPOVWECBHHMDEZ-LBPRGKRZSA-N 2 2 286.341 3.195 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC2(CC2(F)F)CC1 ZINC000904376894 621916808 /nfs/dbraw/zinc/91/68/08/621916808.db2.gz YIOITIUFKMELIC-GFCCVEGCSA-N 2 2 274.399 3.261 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C(C)(C)C ZINC000904468713 621924449 /nfs/dbraw/zinc/92/44/49/621924449.db2.gz FPWAFBKUPAVIFH-BXUZGUMPSA-N 2 2 285.382 3.049 20 0 CGADLP CN(C)c1cc(-c2cccc(C3=CC[NH2+]CC3)c2)cc[nH+]1 ZINC000904849371 622007145 /nfs/dbraw/zinc/00/71/45/622007145.db2.gz KZEYVLGBYTYUNP-UHFFFAOYSA-N 2 2 279.387 3.191 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000906507788 622241577 /nfs/dbraw/zinc/24/15/77/622241577.db2.gz CDZSUZIUSVFKQY-HAQNSBGRSA-N 2 2 293.823 3.043 20 0 CGADLP CCCC[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000906529197 622244127 /nfs/dbraw/zinc/24/41/27/622244127.db2.gz GWXQWTLUNFJCFQ-UHFFFAOYSA-N 2 2 294.443 3.070 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906595940 622257146 /nfs/dbraw/zinc/25/71/46/622257146.db2.gz KHJXUBQBFIIMFY-IRXDYDNUSA-N 2 2 288.410 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccccc2s1 ZINC000156342469 622812606 /nfs/dbraw/zinc/81/26/06/622812606.db2.gz YBQFMMKPVLAUGI-FRRDWIJNSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccccc2s1 ZINC000156342469 622812611 /nfs/dbraw/zinc/81/26/11/622812611.db2.gz YBQFMMKPVLAUGI-FRRDWIJNSA-N 2 2 289.448 3.430 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921589842 625694126 /nfs/dbraw/zinc/69/41/26/625694126.db2.gz AHUFSUFNJDISDT-INIZCTEOSA-N 2 2 297.402 3.058 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921589842 625694135 /nfs/dbraw/zinc/69/41/35/625694135.db2.gz AHUFSUFNJDISDT-INIZCTEOSA-N 2 2 297.402 3.058 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925478248 624451775 /nfs/dbraw/zinc/45/17/75/624451775.db2.gz ICDIQZCVIHRTCC-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019942857 634400259 /nfs/dbraw/zinc/40/02/59/634400259.db2.gz FNEOIESVXYIDKW-DZGCQCFKSA-N 2 2 264.413 3.225 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCO1 ZINC000251350728 624868917 /nfs/dbraw/zinc/86/89/17/624868917.db2.gz SFFJXQIBRDQAEO-HRCADAONSA-N 2 2 293.455 3.091 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000761431577 627041168 /nfs/dbraw/zinc/04/11/68/627041168.db2.gz GJNUGSUCCZZISM-SMDDNHRTSA-N 2 2 292.452 3.414 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000764593443 627213722 /nfs/dbraw/zinc/21/37/22/627213722.db2.gz DHRHYPQOZKKRKF-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000764593443 627213723 /nfs/dbraw/zinc/21/37/23/627213723.db2.gz DHRHYPQOZKKRKF-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+](C)C ZINC000764842169 627228756 /nfs/dbraw/zinc/22/87/56/627228756.db2.gz XRIZXUMYFNVYQE-KBPBESRZSA-N 2 2 274.518 3.473 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871625 627231038 /nfs/dbraw/zinc/23/10/38/627231038.db2.gz XZBIJPXXTANXMK-SJLPKXTDSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1 ZINC000766267073 627307464 /nfs/dbraw/zinc/30/74/64/627307464.db2.gz DORAYDBQJWFMMO-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1 ZINC000766267073 627307471 /nfs/dbraw/zinc/30/74/71/627307471.db2.gz DORAYDBQJWFMMO-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000766267808 627308155 /nfs/dbraw/zinc/30/81/55/627308155.db2.gz IXIJSXRXUVDMJK-PBHICJAKSA-N 2 2 272.436 3.483 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000766267808 627308158 /nfs/dbraw/zinc/30/81/58/627308158.db2.gz IXIJSXRXUVDMJK-PBHICJAKSA-N 2 2 272.436 3.483 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000766273080 627310355 /nfs/dbraw/zinc/31/03/55/627310355.db2.gz NCIPQZMCEQPDFB-PBHICJAKSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000766273080 627310356 /nfs/dbraw/zinc/31/03/56/627310356.db2.gz NCIPQZMCEQPDFB-PBHICJAKSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1 ZINC000766274923 627310953 /nfs/dbraw/zinc/31/09/53/627310953.db2.gz XDPYLQAYUOYLGN-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1 ZINC000766274923 627310955 /nfs/dbraw/zinc/31/09/55/627310955.db2.gz XDPYLQAYUOYLGN-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381092 627325190 /nfs/dbraw/zinc/32/51/90/627325190.db2.gz GVNMPPXYXZWCNA-YOEHRIQHSA-N 2 2 288.435 3.004 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381092 627325194 /nfs/dbraw/zinc/32/51/94/627325194.db2.gz GVNMPPXYXZWCNA-YOEHRIQHSA-N 2 2 288.435 3.004 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000768227644 627469501 /nfs/dbraw/zinc/46/95/01/627469501.db2.gz DIJCRAFJPUSOQI-UHFFFAOYSA-N 2 2 264.413 3.201 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000768227644 627469505 /nfs/dbraw/zinc/46/95/05/627469505.db2.gz DIJCRAFJPUSOQI-UHFFFAOYSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768233019 627470117 /nfs/dbraw/zinc/47/01/17/627470117.db2.gz INLRYIRHUBBGBS-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cncc3ccccc32)CC1 ZINC000768233019 627470121 /nfs/dbraw/zinc/47/01/21/627470121.db2.gz INLRYIRHUBBGBS-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2c(CC)noc2C)CC1 ZINC000769866515 627584634 /nfs/dbraw/zinc/58/46/34/627584634.db2.gz GNWIAZRDNSLNCU-GFCCVEGCSA-N 2 2 279.428 3.070 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCCc1c(F)cccc1Cl ZINC000775049399 628056888 /nfs/dbraw/zinc/05/68/88/628056888.db2.gz YLACZBWHWCXBDI-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CCCc1c(F)cccc1Cl ZINC000775049399 628056892 /nfs/dbraw/zinc/05/68/92/628056892.db2.gz YLACZBWHWCXBDI-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP CC[C@](C)([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000776008505 628157712 /nfs/dbraw/zinc/15/77/12/628157712.db2.gz RKPAKWWEMUJXMO-INIZCTEOSA-N 2 2 257.381 3.188 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000780292461 628479643 /nfs/dbraw/zinc/47/96/43/628479643.db2.gz DFZXJSGWTVKOKV-MRXNPFEDSA-N 2 2 281.403 3.250 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000782530299 628652521 /nfs/dbraw/zinc/65/25/21/628652521.db2.gz WSUXIAJNWOYKNJ-RDBSUJKOSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000782530299 628652523 /nfs/dbraw/zinc/65/25/23/628652523.db2.gz WSUXIAJNWOYKNJ-RDBSUJKOSA-N 2 2 290.373 3.181 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000863542337 629601851 /nfs/dbraw/zinc/60/18/51/629601851.db2.gz PUNVQJXCBWFHFW-CJNGLKHVSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000863548528 629604023 /nfs/dbraw/zinc/60/40/23/629604023.db2.gz YVFUYBAWKDRYAF-FZMZJTMJSA-N 2 2 293.361 3.267 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[NH+]1CCCCC1 ZINC000800968589 630314185 /nfs/dbraw/zinc/31/41/85/630314185.db2.gz TXJSLUOGGYWWKC-OAGGEKHMSA-N 2 2 270.436 3.369 20 0 CGADLP COc1cccc2cc(C[N@H+](C)CCCn3cc[nH+]c3)oc21 ZINC000809753013 630800052 /nfs/dbraw/zinc/80/00/52/630800052.db2.gz LPACLMKBOAAZJG-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP COc1cccc2cc(C[N@@H+](C)CCCn3cc[nH+]c3)oc21 ZINC000809753013 630800053 /nfs/dbraw/zinc/80/00/53/630800053.db2.gz LPACLMKBOAAZJG-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627497 631808695 /nfs/dbraw/zinc/80/86/95/631808695.db2.gz BYZYGDQVNWKJIU-YPMHNXCESA-N 2 2 273.355 3.065 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1C ZINC000817984786 632274588 /nfs/dbraw/zinc/27/45/88/632274588.db2.gz ZZYFXBIWUBQRBB-CABCVRRESA-N 2 2 276.424 3.105 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866215404 633032013 /nfs/dbraw/zinc/03/20/13/633032013.db2.gz JZCXPHDUNORVBS-SNVBAGLBSA-N 2 2 290.754 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)[NH+]1CCC(C)CC1 ZINC000866248646 633044718 /nfs/dbraw/zinc/04/47/18/633044718.db2.gz FRJFNSAPRYQVHC-DLBZAZTESA-N 2 2 289.467 3.113 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1cncc2ccccc21)[NH+](C)C ZINC000866259835 633049054 /nfs/dbraw/zinc/04/90/54/633049054.db2.gz QIMMHPKJFQVHKT-LSDHHAIUSA-N 2 2 285.435 3.096 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866390330 633118544 /nfs/dbraw/zinc/11/85/44/633118544.db2.gz MWSOUSYQFSUDRW-DLBZAZTESA-N 2 2 289.467 3.113 20 0 CGADLP CC(F)(F)C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000866543361 633185347 /nfs/dbraw/zinc/18/53/47/633185347.db2.gz VEOGSHUFIXPYKL-UHFFFAOYSA-N 2 2 297.393 3.321 20 0 CGADLP C([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561976 633193746 /nfs/dbraw/zinc/19/37/46/633193746.db2.gz MVKAHPLNYZDODC-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561976 633193754 /nfs/dbraw/zinc/19/37/54/633193754.db2.gz MVKAHPLNYZDODC-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)no1 ZINC000866705764 633234378 /nfs/dbraw/zinc/23/43/78/633234378.db2.gz AQRFXIFCSXRRPF-KRWDZBQOSA-N 2 2 293.455 3.169 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)no1 ZINC000866705764 633234383 /nfs/dbraw/zinc/23/43/83/633234383.db2.gz AQRFXIFCSXRRPF-KRWDZBQOSA-N 2 2 293.455 3.169 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971665 633312643 /nfs/dbraw/zinc/31/26/43/633312643.db2.gz WLWMCNUELWRYIP-RAIGVLPGSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971665 633312648 /nfs/dbraw/zinc/31/26/48/633312648.db2.gz WLWMCNUELWRYIP-RAIGVLPGSA-N 2 2 291.266 3.033 20 0 CGADLP CCC(=O)CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255832 635958489 /nfs/dbraw/zinc/95/84/89/635958489.db2.gz ZQPRWHYNWXTEKR-UHFFFAOYSA-N 2 2 280.456 3.086 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872027085 633947199 /nfs/dbraw/zinc/94/71/99/633947199.db2.gz BVCJWWWJSUKNTH-CYBMUJFWSA-N 2 2 294.414 3.446 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230841 634293114 /nfs/dbraw/zinc/29/31/14/634293114.db2.gz YOGTWLIPDSNJPE-UONOGXRCSA-N 2 2 284.325 3.080 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876955729 634936553 /nfs/dbraw/zinc/93/65/53/634936553.db2.gz BRJGTXKASXJFRH-GHMZBOCLSA-N 2 2 290.238 3.081 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841031377 635108994 /nfs/dbraw/zinc/10/89/94/635108994.db2.gz ZXGBAWLVGHJEOO-CYBMUJFWSA-N 2 2 276.380 3.049 20 0 CGADLP Cc1ccoc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794290 635205353 /nfs/dbraw/zinc/20/53/53/635205353.db2.gz JVMPWJJFUMDPDQ-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)nc1Cl ZINC000878135445 635373650 /nfs/dbraw/zinc/37/36/50/635373650.db2.gz KVCPAYOQTBZLIZ-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)nc1Cl ZINC000878135445 635373660 /nfs/dbraw/zinc/37/36/60/635373660.db2.gz KVCPAYOQTBZLIZ-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)nc1Cl ZINC000878135445 635373666 /nfs/dbraw/zinc/37/36/66/635373666.db2.gz KVCPAYOQTBZLIZ-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)nc1Cl ZINC000878135445 635373670 /nfs/dbraw/zinc/37/36/70/635373670.db2.gz KVCPAYOQTBZLIZ-OAHLLOKOSA-N 2 2 295.858 3.350 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252536 635434604 /nfs/dbraw/zinc/43/46/04/635434604.db2.gz ODATVNLWSPHDBX-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252536 635434611 /nfs/dbraw/zinc/43/46/11/635434611.db2.gz ODATVNLWSPHDBX-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCCC1(F)F ZINC000878319579 635459963 /nfs/dbraw/zinc/45/99/63/635459963.db2.gz WTFLUWSYTIQUFP-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCCC1(F)F ZINC000878319579 635459966 /nfs/dbraw/zinc/45/99/66/635459966.db2.gz WTFLUWSYTIQUFP-ZDUSSCGKSA-N 2 2 271.355 3.031 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccncc1 ZINC000842846496 635495813 /nfs/dbraw/zinc/49/58/13/635495813.db2.gz NHKVBXJCJKIEDH-NVXWUHKLSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccncc1 ZINC000842846496 635495818 /nfs/dbraw/zinc/49/58/18/635495818.db2.gz NHKVBXJCJKIEDH-NVXWUHKLSA-N 2 2 275.440 3.243 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cscc1Cl ZINC000843054280 635551790 /nfs/dbraw/zinc/55/17/90/635551790.db2.gz UFVKZKNQHXBNGY-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cscc1Cl ZINC000843054280 635551792 /nfs/dbraw/zinc/55/17/92/635551792.db2.gz UFVKZKNQHXBNGY-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581794 635815313 /nfs/dbraw/zinc/81/53/13/635815313.db2.gz OHMIXHNQAQQGEK-GJZGRUSLSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581794 635815317 /nfs/dbraw/zinc/81/53/17/635815317.db2.gz OHMIXHNQAQQGEK-GJZGRUSLSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581794 635815324 /nfs/dbraw/zinc/81/53/24/635815324.db2.gz OHMIXHNQAQQGEK-GJZGRUSLSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581794 635815328 /nfs/dbraw/zinc/81/53/28/635815328.db2.gz OHMIXHNQAQQGEK-GJZGRUSLSA-N 2 2 280.362 3.150 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000880371648 635985271 /nfs/dbraw/zinc/98/52/71/635985271.db2.gz MPVJXHJKRQCBRG-QGZVFWFLSA-N 2 2 269.392 3.284 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000880371648 635985273 /nfs/dbraw/zinc/98/52/73/635985273.db2.gz MPVJXHJKRQCBRG-QGZVFWFLSA-N 2 2 269.392 3.284 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000880472834 636007515 /nfs/dbraw/zinc/00/75/15/636007515.db2.gz FEHDBDYKQHPQGW-KRWDZBQOSA-N 2 2 288.410 3.373 20 0 CGADLP FC1(F)CC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569642 636023019 /nfs/dbraw/zinc/02/30/19/636023019.db2.gz NFVLJWQCWDAREQ-HNNXBMFYSA-N 2 2 291.345 3.259 20 0 CGADLP Cc1ncsc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570484 636023881 /nfs/dbraw/zinc/02/38/81/636023881.db2.gz WOMKRQCHUAHORU-HNNXBMFYSA-N 2 2 298.415 3.179 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000883162065 636561377 /nfs/dbraw/zinc/56/13/77/636561377.db2.gz JDCZFPNEMXNYBI-CABCVRRESA-N 2 2 293.842 3.029 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000883162065 636561385 /nfs/dbraw/zinc/56/13/85/636561385.db2.gz JDCZFPNEMXNYBI-CABCVRRESA-N 2 2 293.842 3.029 20 0 CGADLP FC(F)Oc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458502 636761762 /nfs/dbraw/zinc/76/17/62/636761762.db2.gz MAIGRYTZIDQUKB-UHFFFAOYSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)Oc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458502 636761770 /nfs/dbraw/zinc/76/17/70/636761770.db2.gz MAIGRYTZIDQUKB-UHFFFAOYSA-N 2 2 296.361 3.006 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850491918 637089876 /nfs/dbraw/zinc/08/98/76/637089876.db2.gz BKADMMVBOVXROD-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850491918 637089881 /nfs/dbraw/zinc/08/98/81/637089881.db2.gz BKADMMVBOVXROD-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886522435 637550766 /nfs/dbraw/zinc/55/07/66/637550766.db2.gz JCUQSQOLNCSDAT-MRXNPFEDSA-N 2 2 275.440 3.171 20 0 CGADLP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC000924539110 638355412 /nfs/dbraw/zinc/35/54/12/638355412.db2.gz ATCMDGJUGSPJQU-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924572877 638365243 /nfs/dbraw/zinc/36/52/43/638365243.db2.gz MWGVKRDCROZVEQ-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924572877 638365247 /nfs/dbraw/zinc/36/52/47/638365247.db2.gz MWGVKRDCROZVEQ-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP Clc1ccnc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000924577112 638366047 /nfs/dbraw/zinc/36/60/47/638366047.db2.gz BNABKDAJLRUKKL-HNNXBMFYSA-N 2 2 293.842 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1coc2ccccc12 ZINC000924650335 638383823 /nfs/dbraw/zinc/38/38/23/638383823.db2.gz VEFOSDDGKQXCNC-QWHCGFSZSA-N 2 2 269.348 3.369 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C2CCCC2)cc1 ZINC000114772641 638427254 /nfs/dbraw/zinc/42/72/54/638427254.db2.gz ZJXGFYSWRNOVDJ-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C2CCCC2)cc1 ZINC000114772641 638427258 /nfs/dbraw/zinc/42/72/58/638427258.db2.gz ZJXGFYSWRNOVDJ-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668791 638563140 /nfs/dbraw/zinc/56/31/40/638563140.db2.gz KBTZOYNVKYUEFT-CQSZACIVSA-N 2 2 260.406 3.131 20 0 CGADLP CO[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000925491838 638569041 /nfs/dbraw/zinc/56/90/41/638569041.db2.gz FTWVLAKXUSVSBI-ZTFGCOKTSA-N 2 2 284.403 3.052 20 0 CGADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925737570 638590547 /nfs/dbraw/zinc/59/05/47/638590547.db2.gz RMRUFNNGOZEMCY-UONOGXRCSA-N 2 2 282.815 3.097 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000926158350 638724892 /nfs/dbraw/zinc/72/48/92/638724892.db2.gz JOZVJDMYSAGNMU-SNPRPXQTSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)s1 ZINC000926158350 638724895 /nfs/dbraw/zinc/72/48/95/638724895.db2.gz JOZVJDMYSAGNMU-SNPRPXQTSA-N 2 2 293.480 3.162 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230090 638748276 /nfs/dbraw/zinc/74/82/76/638748276.db2.gz QWODNWHGPMIREE-IJEWVQPXSA-N 2 2 273.424 3.313 20 0 CGADLP C[C@]1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(F)F ZINC000926704851 638801484 /nfs/dbraw/zinc/80/14/84/638801484.db2.gz LNAATXMHPGRXJT-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@]1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1(F)F ZINC000926704851 638801485 /nfs/dbraw/zinc/80/14/85/638801485.db2.gz LNAATXMHPGRXJT-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926714277 638802671 /nfs/dbraw/zinc/80/26/71/638802671.db2.gz LBFMWORUQCOGBD-HJOIGYKYSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926948008 638828170 /nfs/dbraw/zinc/82/81/70/638828170.db2.gz AMAMVCMCAINXHC-LPHOPBHVSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926948008 638828172 /nfs/dbraw/zinc/82/81/72/638828172.db2.gz AMAMVCMCAINXHC-LPHOPBHVSA-N 2 2 299.462 3.238 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](C[NH+](C)C)OCC)c1ccsc1 ZINC000926963859 638829398 /nfs/dbraw/zinc/82/93/98/638829398.db2.gz VLPHPMXGIANLNK-CABCVRRESA-N 2 2 284.469 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927010628 638830859 /nfs/dbraw/zinc/83/08/59/638830859.db2.gz AUNIEWLVXHJBTM-YJBOKZPZSA-N 2 2 299.418 3.482 20 0 CGADLP CCCC[N@H+](Cc1cc[nH]n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033339 639100702 /nfs/dbraw/zinc/10/07/02/639100702.db2.gz HHSSBVUQWWZCCB-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP CCCC[N@@H+](Cc1cc[nH]n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033339 639100707 /nfs/dbraw/zinc/10/07/07/639100707.db2.gz HHSSBVUQWWZCCB-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cncs1 ZINC000158411483 640004018 /nfs/dbraw/zinc/00/40/18/640004018.db2.gz LRRFLPJYADMXLU-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP Cc1cc(NCC2CC[NH+](C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001156502073 805705515 /nfs/dbraw/zinc/70/55/15/805705515.db2.gz GPQCJMLWNPQJDO-UHFFFAOYSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)[nH+]c1C ZINC001158624002 805979356 /nfs/dbraw/zinc/97/93/56/805979356.db2.gz KODFRXNJMZFFBM-AWEZNQCLSA-N 2 2 295.377 3.008 20 0 CGADLP CCSc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1 ZINC001158831091 806010649 /nfs/dbraw/zinc/01/06/49/806010649.db2.gz AMMOGFGGPFIDPM-UHFFFAOYSA-N 2 2 277.437 3.091 20 0 CGADLP Cc1cccc2c(C)cc(N3CC4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001159020234 806032036 /nfs/dbraw/zinc/03/20/36/806032036.db2.gz ZKLXQUMSPITQDV-UHFFFAOYSA-N 2 2 281.403 3.041 20 0 CGADLP c1c[nH+]c(N2CCCCC2)c(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001159166659 806054980 /nfs/dbraw/zinc/05/49/80/806054980.db2.gz DPYRILZKGSDGHM-UHFFFAOYSA-N 2 2 294.402 3.419 20 0 CGADLP CN(C)c1ccc[nH+]c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159366039 806086926 /nfs/dbraw/zinc/08/69/26/806086926.db2.gz RUISAOCBMJBXPA-HNNXBMFYSA-N 2 2 282.391 3.316 20 0 CGADLP CN(C)c1ccc[nH+]c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159365465 806086992 /nfs/dbraw/zinc/08/69/92/806086992.db2.gz HJXGSAOHPABUHJ-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP c1c[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2)c(C2CC2)c1 ZINC001159365888 806087595 /nfs/dbraw/zinc/08/75/95/806087595.db2.gz PEERUUVQBRWNGF-UHFFFAOYSA-N 2 2 294.402 3.112 20 0 CGADLP Cc1cc(C)[nH+]c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001159538057 806118525 /nfs/dbraw/zinc/11/85/25/806118525.db2.gz FPASBVSRINKQEK-UHFFFAOYSA-N 2 2 299.462 3.432 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)ccc1[NH+](C)C ZINC001159832397 806182961 /nfs/dbraw/zinc/18/29/61/806182961.db2.gz IIPFREHFGXNPGL-OAHLLOKOSA-N 2 2 281.403 3.231 20 0 CGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(C)c1 ZINC001253211201 806183094 /nfs/dbraw/zinc/18/30/94/806183094.db2.gz TXIMMMJJCXBXTJ-ZFWWWQNUSA-N 2 2 298.858 3.002 20 0 CGADLP CSc1cc[nH+]c(N2CCC([NH3+])(CC3CCC3)CC2)c1 ZINC001161576412 806395828 /nfs/dbraw/zinc/39/58/28/806395828.db2.gz PALVPIXVHGVRBX-UHFFFAOYSA-N 2 2 291.464 3.291 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+]2CCCC2)cn1 ZINC001161569833 806392986 /nfs/dbraw/zinc/39/29/86/806392986.db2.gz PYXPCCQWQGPKEL-UHFFFAOYSA-N 2 2 299.422 3.067 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001254482225 806413156 /nfs/dbraw/zinc/41/31/56/806413156.db2.gz HVXFGBWAPRMTEN-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001254482225 806413160 /nfs/dbraw/zinc/41/31/60/806413160.db2.gz HVXFGBWAPRMTEN-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP Cc1cc[nH+]c2cc(NCCCn3cc[nH+]c3)ccc12 ZINC001161688075 806418919 /nfs/dbraw/zinc/41/89/19/806418919.db2.gz IOWXDXNBHYYOAF-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001254500619 806421575 /nfs/dbraw/zinc/42/15/75/806421575.db2.gz WUXNTMGSAALPJC-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001254500619 806421579 /nfs/dbraw/zinc/42/15/79/806421579.db2.gz WUXNTMGSAALPJC-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517303 806436731 /nfs/dbraw/zinc/43/67/31/806436731.db2.gz UEPNCKKWXKJDQJ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517303 806436732 /nfs/dbraw/zinc/43/67/32/806436732.db2.gz UEPNCKKWXKJDQJ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517303 806436738 /nfs/dbraw/zinc/43/67/38/806436738.db2.gz UEPNCKKWXKJDQJ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001254517303 806436741 /nfs/dbraw/zinc/43/67/41/806436741.db2.gz UEPNCKKWXKJDQJ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP Clc1cccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840584 806494222 /nfs/dbraw/zinc/49/42/22/806494222.db2.gz JSGTVSXSTZYQDL-IKGGRYGDSA-N 2 2 290.838 3.270 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254837331 806494659 /nfs/dbraw/zinc/49/46/59/806494659.db2.gz STGQZCMKHTVWSD-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840242 806494845 /nfs/dbraw/zinc/49/48/45/806494845.db2.gz DNPMCRSZIAQPCD-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP C1CC2(C[N@@H+]1[C@H]1CC3CC[NH+](CC3)C1)CCCCC2 ZINC001254866225 806502691 /nfs/dbraw/zinc/50/26/91/806502691.db2.gz NPLRYZOTHCLUOQ-INIZCTEOSA-N 2 2 262.441 3.127 20 0 CGADLP C1CC2(C[N@H+]1[C@H]1CC3CC[NH+](CC3)C1)CCCCC2 ZINC001254866225 806502699 /nfs/dbraw/zinc/50/26/99/806502699.db2.gz NPLRYZOTHCLUOQ-INIZCTEOSA-N 2 2 262.441 3.127 20 0 CGADLP Cc1cc2ccccc2c(NC2C[NH+](C(C)(C)C)C2)[nH+]1 ZINC001162226714 806533756 /nfs/dbraw/zinc/53/37/56/806533756.db2.gz WAEXPZCRBXLGLJ-UHFFFAOYSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255381568 806631316 /nfs/dbraw/zinc/63/13/16/806631316.db2.gz QHYAOALJSGPMDO-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381568 806631318 /nfs/dbraw/zinc/63/13/18/806631318.db2.gz QHYAOALJSGPMDO-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395512 806631850 /nfs/dbraw/zinc/63/18/50/806631850.db2.gz BXJVJLGGNSHLGO-NVXWUHKLSA-N 2 2 299.418 3.380 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395512 806631854 /nfs/dbraw/zinc/63/18/54/806631854.db2.gz BXJVJLGGNSHLGO-NVXWUHKLSA-N 2 2 299.418 3.380 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1 ZINC000037156419 798861284 /nfs/dbraw/zinc/86/12/84/798861284.db2.gz GAOGQKFULXVITH-OAHLLOKOSA-N 2 2 257.381 3.088 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000037156754 798862887 /nfs/dbraw/zinc/86/28/87/798862887.db2.gz UJGIQAKOKDKIML-BXUZGUMPSA-N 2 2 292.452 3.414 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028746 798884403 /nfs/dbraw/zinc/88/44/03/798884403.db2.gz UORACLZWSFONFI-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000084987802 798941741 /nfs/dbraw/zinc/94/17/41/798941741.db2.gz SUXBHOVPQKYAOA-ARFHVFGLSA-N 2 2 252.446 3.133 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722592 806719982 /nfs/dbraw/zinc/71/99/82/806719982.db2.gz LCQKWUMIKNJASN-RQJABVFESA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722592 806719988 /nfs/dbraw/zinc/71/99/88/806719988.db2.gz LCQKWUMIKNJASN-RQJABVFESA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722592 806719989 /nfs/dbraw/zinc/71/99/89/806719989.db2.gz LCQKWUMIKNJASN-RQJABVFESA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722592 806719995 /nfs/dbraw/zinc/71/99/95/806719995.db2.gz LCQKWUMIKNJASN-RQJABVFESA-N 2 2 290.373 3.134 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300403599 799203842 /nfs/dbraw/zinc/20/38/42/799203842.db2.gz TZMWLXBXVDQVTH-QKPAOTATSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300403599 799203848 /nfs/dbraw/zinc/20/38/48/799203848.db2.gz TZMWLXBXVDQVTH-QKPAOTATSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)Cc2cc(C[NH2+]CCCCn3cc[nH+]c3)ccc2O1 ZINC000316439447 799241069 /nfs/dbraw/zinc/24/10/69/799241069.db2.gz RLSWWIAIVMUPLX-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000388430927 799453160 /nfs/dbraw/zinc/45/31/60/799453160.db2.gz TXNCMUGYRFNOQB-LBPRGKRZSA-N 2 2 252.361 3.035 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000388430927 799453164 /nfs/dbraw/zinc/45/31/64/799453164.db2.gz TXNCMUGYRFNOQB-LBPRGKRZSA-N 2 2 252.361 3.035 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390581753 799471667 /nfs/dbraw/zinc/47/16/67/799471667.db2.gz JEOLXOZWFZGGMX-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390581753 799471668 /nfs/dbraw/zinc/47/16/68/799471668.db2.gz JEOLXOZWFZGGMX-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001255874564 806777979 /nfs/dbraw/zinc/77/79/79/806777979.db2.gz BHSDSRUTXVMWCK-DZGCQCFKSA-N 2 2 287.382 3.293 20 0 CGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@H]3C2)c1 ZINC001255888360 806783751 /nfs/dbraw/zinc/78/37/51/806783751.db2.gz GVHNMLRKJGNFAT-QZTJIDSGSA-N 2 2 299.462 3.168 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC001255968299 806801453 /nfs/dbraw/zinc/80/14/53/806801453.db2.gz XGDWUTRGKPYWMY-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC001255968299 806801461 /nfs/dbraw/zinc/80/14/61/806801461.db2.gz XGDWUTRGKPYWMY-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC001255965133 806802884 /nfs/dbraw/zinc/80/28/84/806802884.db2.gz YESWXRNMFKFWDR-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC001255965133 806802889 /nfs/dbraw/zinc/80/28/89/806802889.db2.gz YESWXRNMFKFWDR-AWEZNQCLSA-N 2 2 278.415 3.304 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001256080382 806814916 /nfs/dbraw/zinc/81/49/16/806814916.db2.gz UNZCQJUOPABOJX-CABCVRRESA-N 2 2 262.441 3.125 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001256080382 806814922 /nfs/dbraw/zinc/81/49/22/806814922.db2.gz UNZCQJUOPABOJX-CABCVRRESA-N 2 2 262.441 3.125 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719596914 800244117 /nfs/dbraw/zinc/24/41/17/800244117.db2.gz XHXNPSCRCKLUCK-QWHCGFSZSA-N 2 2 293.480 3.032 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)C1 ZINC000722391842 800320538 /nfs/dbraw/zinc/32/05/38/800320538.db2.gz JJEBEQWBUGCLIA-DYEKYZERSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H](Cc1ccccn1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001256408033 806886005 /nfs/dbraw/zinc/88/60/05/806886005.db2.gz UXEYNXMPGVEKMG-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001116495429 802365712 /nfs/dbraw/zinc/36/57/12/802365712.db2.gz VCGZDXDAJFHDOI-LSDHHAIUSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001116495429 802365722 /nfs/dbraw/zinc/36/57/22/802365722.db2.gz VCGZDXDAJFHDOI-LSDHHAIUSA-N 2 2 288.435 3.147 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001119745935 802697834 /nfs/dbraw/zinc/69/78/34/802697834.db2.gz KEQUURWXBXKYCD-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205075002 812848825 /nfs/dbraw/zinc/84/88/25/812848825.db2.gz DPOMWDMYSPNCKZ-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205075002 812848834 /nfs/dbraw/zinc/84/88/34/812848834.db2.gz DPOMWDMYSPNCKZ-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP Fc1cccc(C2CC2)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244119632 803197022 /nfs/dbraw/zinc/19/70/22/803197022.db2.gz HPZHJLSZIKGWNL-UHFFFAOYSA-N 2 2 297.377 3.175 20 0 CGADLP CNc1cc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)cc[nH+]1 ZINC001244973623 803598462 /nfs/dbraw/zinc/59/84/62/803598462.db2.gz PYQMVVOQRSKZBL-UHFFFAOYSA-N 2 2 293.414 3.358 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001245197992 803661509 /nfs/dbraw/zinc/66/15/09/803661509.db2.gz KCHGJDQHCNNKQN-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP Cc1csc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001137161877 803692686 /nfs/dbraw/zinc/69/26/86/803692686.db2.gz ZZRQVHMEZYXOJY-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1csc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001137161877 803692689 /nfs/dbraw/zinc/69/26/89/803692689.db2.gz ZZRQVHMEZYXOJY-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cc(C)ccc2n1 ZINC001137219069 803700228 /nfs/dbraw/zinc/70/02/28/803700228.db2.gz XRSNAZVDNDJRRW-UHFFFAOYSA-N 2 2 285.435 3.317 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc(C)ccc2n1 ZINC001137219069 803700234 /nfs/dbraw/zinc/70/02/34/803700234.db2.gz XRSNAZVDNDJRRW-UHFFFAOYSA-N 2 2 285.435 3.317 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)c[nH+]c1N ZINC001245538928 803797284 /nfs/dbraw/zinc/79/72/84/803797284.db2.gz KLEYZKGFQWMLCA-OAHLLOKOSA-N 2 2 267.376 3.106 20 0 CGADLP CC[NH+](CC)Cc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245540334 803798936 /nfs/dbraw/zinc/79/89/36/803798936.db2.gz AUTBIOVNBVCMRG-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP C[NH+]1CCC2(C[NH+](Cc3cccc(Cl)c3F)C2)CC1 ZINC001137962452 803808240 /nfs/dbraw/zinc/80/82/40/803808240.db2.gz KDDPVLWPINMSAY-UHFFFAOYSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC001138543053 803965297 /nfs/dbraw/zinc/96/52/97/803965297.db2.gz IZSZXNSKPAKIPB-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC001138543053 803965302 /nfs/dbraw/zinc/96/53/02/803965302.db2.gz IZSZXNSKPAKIPB-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245909196 804037214 /nfs/dbraw/zinc/03/72/14/804037214.db2.gz HWWHRIDYMIKXMY-UHFFFAOYSA-N 2 2 281.359 3.432 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccncc1 ZINC001246075681 804114470 /nfs/dbraw/zinc/11/44/70/804114470.db2.gz KFXFNQVWYKRKAT-SZVBFZGTSA-N 2 2 295.430 3.210 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[NH2+]1 ZINC001246082099 804119012 /nfs/dbraw/zinc/11/90/12/804119012.db2.gz VXYUGNATKIBRDA-WMLDXEAASA-N 2 2 266.388 3.194 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246084461 804119466 /nfs/dbraw/zinc/11/94/66/804119466.db2.gz FJUYJZCMKNCMSF-TWMKSMIVSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139063899 804121425 /nfs/dbraw/zinc/12/14/25/804121425.db2.gz CRJSNTZHHFBBJC-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139063899 804121428 /nfs/dbraw/zinc/12/14/28/804121428.db2.gz CRJSNTZHHFBBJC-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246099958 804133332 /nfs/dbraw/zinc/13/33/32/804133332.db2.gz BONIUPRYAGRITH-JTNHKYCSSA-N 2 2 284.856 3.161 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139171090 804149508 /nfs/dbraw/zinc/14/95/08/804149508.db2.gz PONUSKGBZZHAPM-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139171090 804149511 /nfs/dbraw/zinc/14/95/11/804149511.db2.gz PONUSKGBZZHAPM-UHFFFAOYSA-N 2 2 295.430 3.293 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246131448 804157997 /nfs/dbraw/zinc/15/79/97/804157997.db2.gz KBTMBUYXGGRSOK-YGRLFVJLSA-N 2 2 299.245 3.266 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246149237 804169714 /nfs/dbraw/zinc/16/97/14/804169714.db2.gz UDNGROVVILMPKT-IRXDYDNUSA-N 3 2 295.515 3.055 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC001246162723 804179271 /nfs/dbraw/zinc/17/92/71/804179271.db2.gz RDCILNYDXHHUGH-QZTJIDSGSA-N 3 2 295.515 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001246177970 804192772 /nfs/dbraw/zinc/19/27/72/804192772.db2.gz WSLQEOIFRUHSRE-CJNGLKHVSA-N 2 2 260.425 3.214 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCCC)CC[NH2+]1 ZINC001246185313 804197390 /nfs/dbraw/zinc/19/73/90/804197390.db2.gz UBZXTCNBCSBXMI-SJORKVTESA-N 3 2 283.504 3.009 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185313 804197392 /nfs/dbraw/zinc/19/73/92/804197392.db2.gz UBZXTCNBCSBXMI-SJORKVTESA-N 3 2 283.504 3.009 20 0 CGADLP CCCC(CCC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195870 804203651 /nfs/dbraw/zinc/20/36/51/804203651.db2.gz UOJIBBLOHQDABX-ZDUSSCGKSA-N 2 2 280.378 3.475 20 0 CGADLP CC(C)[N@H+](Cc1cccc(Cl)n1)C1CC[NH+](C)CC1 ZINC001139552733 804205129 /nfs/dbraw/zinc/20/51/29/804205129.db2.gz SZQISTPUUSBERJ-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(Cl)n1)C1CC[NH+](C)CC1 ZINC001139552733 804205134 /nfs/dbraw/zinc/20/51/34/804205134.db2.gz SZQISTPUUSBERJ-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246226461 804220824 /nfs/dbraw/zinc/22/08/24/804220824.db2.gz QTPYZUXAZBUBBP-BTTYYORXSA-N 2 2 282.378 3.364 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001139605106 804224514 /nfs/dbraw/zinc/22/45/14/804224514.db2.gz RSOPIMHROXEJIR-UHFFFAOYSA-N 2 2 290.451 3.311 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001139605106 804224518 /nfs/dbraw/zinc/22/45/18/804224518.db2.gz RSOPIMHROXEJIR-UHFFFAOYSA-N 2 2 290.451 3.311 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@@H](C)[NH2+]1 ZINC001246238733 804231039 /nfs/dbraw/zinc/23/10/39/804231039.db2.gz ZHBQTLDETZIVIQ-RKDXNWHRSA-N 2 2 288.769 3.237 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246266311 804245428 /nfs/dbraw/zinc/24/54/28/804245428.db2.gz BGKGOQKDPVYSPH-GFCCVEGCSA-N 2 2 286.872 3.410 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC001246280046 804256796 /nfs/dbraw/zinc/25/67/96/804256796.db2.gz QDSPQDDIFROXNB-HNAYVOBHSA-N 2 2 282.431 3.470 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246292825 804262638 /nfs/dbraw/zinc/26/26/38/804262638.db2.gz TYODZEZBIFRNLT-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2F)CC[NH2+]1 ZINC001246317869 804277065 /nfs/dbraw/zinc/27/70/65/804277065.db2.gz QGJNUBAVZAGMDH-SLEUVZQESA-N 2 2 282.378 3.392 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246334896 804289814 /nfs/dbraw/zinc/28/98/14/804289814.db2.gz FUOJVFOVTIFHFW-GJZGRUSLSA-N 2 2 272.502 3.420 20 0 CGADLP Fc1ccc([C@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246411266 804325285 /nfs/dbraw/zinc/32/52/85/804325285.db2.gz TXHHLTJBDNBIKC-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)[PH+](CC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001246470665 804347901 /nfs/dbraw/zinc/34/79/01/804347901.db2.gz QQGOOLWSVPYDJP-UONOGXRCSA-N 3 2 258.390 3.015 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001140026979 804354367 /nfs/dbraw/zinc/35/43/67/804354367.db2.gz SDZYSQKWIZCJJU-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001140026979 804354374 /nfs/dbraw/zinc/35/43/74/804354374.db2.gz SDZYSQKWIZCJJU-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2occc2C1 ZINC001140026960 804356549 /nfs/dbraw/zinc/35/65/49/804356549.db2.gz RJQSKXXTZLSZMH-UHFFFAOYSA-N 2 2 293.370 3.332 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2occc2C1 ZINC001140026960 804356556 /nfs/dbraw/zinc/35/65/56/804356556.db2.gz RJQSKXXTZLSZMH-UHFFFAOYSA-N 2 2 293.370 3.332 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246503700 804363876 /nfs/dbraw/zinc/36/38/76/804363876.db2.gz MCQZPQIVWDJTFJ-FDRIWYBQSA-N 2 2 296.867 3.018 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)CCC(C)C)c1 ZINC001246508824 804367976 /nfs/dbraw/zinc/36/79/76/804367976.db2.gz FEKOSMXCLXGFFH-BBRMVZONSA-N 2 2 264.413 3.109 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246521805 804376873 /nfs/dbraw/zinc/37/68/73/804376873.db2.gz FKJHASZFTYBVOP-GFCCVEGCSA-N 2 2 287.234 3.002 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246521805 804376881 /nfs/dbraw/zinc/37/68/81/804376881.db2.gz FKJHASZFTYBVOP-GFCCVEGCSA-N 2 2 287.234 3.002 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246539947 804388935 /nfs/dbraw/zinc/38/89/35/804388935.db2.gz CGNXQLSPQLQTKH-JTNHKYCSSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246539947 804388942 /nfs/dbraw/zinc/38/89/42/804388942.db2.gz CGNXQLSPQLQTKH-JTNHKYCSSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562869 804411635 /nfs/dbraw/zinc/41/16/35/804411635.db2.gz HVBSYLHEZASXRA-XUJVJEKNSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001246562869 804411639 /nfs/dbraw/zinc/41/16/39/804411639.db2.gz HVBSYLHEZASXRA-XUJVJEKNSA-N 2 2 298.883 3.490 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246564021 804413479 /nfs/dbraw/zinc/41/34/79/804413479.db2.gz CUKXJBVLPZLQIK-FMKPAKJESA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001246564021 804413483 /nfs/dbraw/zinc/41/34/83/804413483.db2.gz CUKXJBVLPZLQIK-FMKPAKJESA-N 2 2 278.465 3.145 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246570451 804417251 /nfs/dbraw/zinc/41/72/51/804417251.db2.gz INXOKRBKCFUTSV-SJLPKXTDSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246570451 804417258 /nfs/dbraw/zinc/41/72/58/804417258.db2.gz INXOKRBKCFUTSV-SJLPKXTDSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575641 804422920 /nfs/dbraw/zinc/42/29/20/804422920.db2.gz IPFNAOOZIZGXCD-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246575641 804422923 /nfs/dbraw/zinc/42/29/23/804422923.db2.gz IPFNAOOZIZGXCD-XJKSGUPXSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579891 804424309 /nfs/dbraw/zinc/42/43/09/804424309.db2.gz LZENNMMUILMGTE-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246579891 804424311 /nfs/dbraw/zinc/42/43/11/804424311.db2.gz LZENNMMUILMGTE-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@](F)(C[NH3+])C1)C2 ZINC001246580961 804426015 /nfs/dbraw/zinc/42/60/15/804426015.db2.gz OPUJQBJIKPKRDE-AEFFLSMTSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@](F)(C[NH3+])C1)C2 ZINC001246580961 804426018 /nfs/dbraw/zinc/42/60/18/804426018.db2.gz OPUJQBJIKPKRDE-AEFFLSMTSA-N 2 2 290.426 3.005 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589471 804431790 /nfs/dbraw/zinc/43/17/90/804431790.db2.gz OEKQEMXEONWCPR-RDBSUJKOSA-N 2 2 292.389 3.366 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589471 804431794 /nfs/dbraw/zinc/43/17/94/804431794.db2.gz OEKQEMXEONWCPR-RDBSUJKOSA-N 2 2 292.389 3.366 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614549 804448033 /nfs/dbraw/zinc/44/80/33/804448033.db2.gz OELVMYKOZKRRMA-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246614549 804448038 /nfs/dbraw/zinc/44/80/38/804448038.db2.gz OELVMYKOZKRRMA-BBRMVZONSA-N 2 2 278.827 3.099 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1O ZINC001140574525 804463431 /nfs/dbraw/zinc/46/34/31/804463431.db2.gz IHGJRLBIFLTFQX-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246657644 804481699 /nfs/dbraw/zinc/48/16/99/804481699.db2.gz XDAMRJDKQCMOFP-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246657644 804481703 /nfs/dbraw/zinc/48/17/03/804481703.db2.gz XDAMRJDKQCMOFP-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@@H+](C3CCCCCC3)C[C@@H]21 ZINC001246661036 804484350 /nfs/dbraw/zinc/48/43/50/804484350.db2.gz GCVYREHCRGPDNQ-ZWKOTPCHSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@H+](C3CCCCCC3)C[C@@H]21 ZINC001246661036 804484352 /nfs/dbraw/zinc/48/43/52/804484352.db2.gz GCVYREHCRGPDNQ-ZWKOTPCHSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001246662471 804485484 /nfs/dbraw/zinc/48/54/84/804485484.db2.gz JOLNLPOJKNUARU-ZWKOTPCHSA-N 2 2 282.431 3.280 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001246662471 804485486 /nfs/dbraw/zinc/48/54/86/804485486.db2.gz JOLNLPOJKNUARU-ZWKOTPCHSA-N 2 2 282.431 3.280 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664617 804487182 /nfs/dbraw/zinc/48/71/82/804487182.db2.gz NBEWCRQZCKFIFQ-JGGQBBKZSA-N 2 2 278.827 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664617 804487186 /nfs/dbraw/zinc/48/71/86/804487186.db2.gz NBEWCRQZCKFIFQ-JGGQBBKZSA-N 2 2 278.827 3.084 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246770318 804502135 /nfs/dbraw/zinc/50/21/35/804502135.db2.gz QHXUVDBXXBJVHD-DABQJJPHSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246770318 804502137 /nfs/dbraw/zinc/50/21/37/804502137.db2.gz QHXUVDBXXBJVHD-DABQJJPHSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791967 804515542 /nfs/dbraw/zinc/51/55/42/804515542.db2.gz NMRNAHCATXLYKJ-LBPRGKRZSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246791967 804515547 /nfs/dbraw/zinc/51/55/47/804515547.db2.gz NMRNAHCATXLYKJ-LBPRGKRZSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C ZINC001140801044 804520597 /nfs/dbraw/zinc/52/05/97/804520597.db2.gz AICPUQAQPWHDLW-OLZOCXBDSA-N 2 2 257.381 3.431 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C ZINC001140801044 804520599 /nfs/dbraw/zinc/52/05/99/804520599.db2.gz AICPUQAQPWHDLW-OLZOCXBDSA-N 2 2 257.381 3.431 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835660 804544834 /nfs/dbraw/zinc/54/48/34/804544834.db2.gz LHGNUSWSJPFOTE-DLBZAZTESA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835660 804544837 /nfs/dbraw/zinc/54/48/37/804544837.db2.gz LHGNUSWSJPFOTE-DLBZAZTESA-N 2 2 292.854 3.475 20 0 CGADLP c1ccc(C[N@H+](C2CCCCC2)[C@@H]2CCCC[NH2+]C2)nc1 ZINC001246843248 804552233 /nfs/dbraw/zinc/55/22/33/804552233.db2.gz BWFPKAXKKWQSAF-GOSISDBHSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc(C[N@@H+](C2CCCCC2)[C@@H]2CCCC[NH2+]C2)nc1 ZINC001246843248 804552235 /nfs/dbraw/zinc/55/22/35/804552235.db2.gz BWFPKAXKKWQSAF-GOSISDBHSA-N 2 2 287.451 3.358 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(Sc3ccccc3)CC2)C[NH2+]1 ZINC001246874061 804573219 /nfs/dbraw/zinc/57/32/19/804573219.db2.gz IAPLMHGUNXVPHN-CABCVRRESA-N 2 2 290.476 3.384 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246902788 804587701 /nfs/dbraw/zinc/58/77/01/804587701.db2.gz VFJXKLBCYLEDLJ-OAHLLOKOSA-N 2 2 266.816 3.304 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246902788 804587703 /nfs/dbraw/zinc/58/77/03/804587703.db2.gz VFJXKLBCYLEDLJ-OAHLLOKOSA-N 2 2 266.816 3.304 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001141195204 804607652 /nfs/dbraw/zinc/60/76/52/804607652.db2.gz FKRZRWTYJILDRN-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001141195204 804607656 /nfs/dbraw/zinc/60/76/56/804607656.db2.gz FKRZRWTYJILDRN-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001246936574 804609307 /nfs/dbraw/zinc/60/93/07/804609307.db2.gz FHXZENHXHPWKDV-XUJVJEKNSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001246936574 804609312 /nfs/dbraw/zinc/60/93/12/804609312.db2.gz FHXZENHXHPWKDV-XUJVJEKNSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001246940543 804610063 /nfs/dbraw/zinc/61/00/63/804610063.db2.gz WITBSRZFCKCUDR-LALPHHSUSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001246940543 804610067 /nfs/dbraw/zinc/61/00/67/804610067.db2.gz WITBSRZFCKCUDR-LALPHHSUSA-N 2 2 266.816 3.083 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1coc2ccc(F)cc12 ZINC001141856801 804675548 /nfs/dbraw/zinc/67/55/48/804675548.db2.gz RVAVZHYZRYGYNI-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1coc2ccc(F)cc12 ZINC001141856801 804675552 /nfs/dbraw/zinc/67/55/52/804675552.db2.gz RVAVZHYZRYGYNI-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP COc1c(F)cccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001143534459 804862872 /nfs/dbraw/zinc/86/28/72/804862872.db2.gz RRRZNQBEZKJILS-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1c(F)cccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001143534459 804862877 /nfs/dbraw/zinc/86/28/77/804862877.db2.gz RRRZNQBEZKJILS-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2nc(C)ccc12 ZINC001248572919 804955499 /nfs/dbraw/zinc/95/54/99/804955499.db2.gz AYJJBWNPTOITRG-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2nc(C)ccc12 ZINC001248572919 804955504 /nfs/dbraw/zinc/95/55/04/804955504.db2.gz AYJJBWNPTOITRG-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1nc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Cl ZINC001248873119 805028017 /nfs/dbraw/zinc/02/80/17/805028017.db2.gz YNXKRHLATXWTIT-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1nc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Cl ZINC001248873119 805028027 /nfs/dbraw/zinc/02/80/27/805028027.db2.gz YNXKRHLATXWTIT-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2C3CCCC2CCC3)CC1 ZINC001257224199 807065319 /nfs/dbraw/zinc/06/53/19/807065319.db2.gz RSOLRKVKCQPVDU-UHFFFAOYSA-N 2 2 250.430 3.266 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299125 807091483 /nfs/dbraw/zinc/09/14/83/807091483.db2.gz UMDKUINHGOHFLW-DZGCQCFKSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299125 807091490 /nfs/dbraw/zinc/09/14/90/807091490.db2.gz UMDKUINHGOHFLW-DZGCQCFKSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257299125 807091496 /nfs/dbraw/zinc/09/14/96/807091496.db2.gz UMDKUINHGOHFLW-DZGCQCFKSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257299125 807091504 /nfs/dbraw/zinc/09/15/04/807091504.db2.gz UMDKUINHGOHFLW-DZGCQCFKSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257297573 807091872 /nfs/dbraw/zinc/09/18/72/807091872.db2.gz XNCXSWORQSGKQA-SJORKVTESA-N 2 2 287.451 3.024 20 0 CGADLP CCC(CC)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001257297573 807091881 /nfs/dbraw/zinc/09/18/81/807091881.db2.gz XNCXSWORQSGKQA-SJORKVTESA-N 2 2 287.451 3.024 20 0 CGADLP CCC(CC)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257297573 807091888 /nfs/dbraw/zinc/09/18/88/807091888.db2.gz XNCXSWORQSGKQA-SJORKVTESA-N 2 2 287.451 3.024 20 0 CGADLP CCC(CC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001257297573 807091894 /nfs/dbraw/zinc/09/18/94/807091894.db2.gz XNCXSWORQSGKQA-SJORKVTESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257316677 807103599 /nfs/dbraw/zinc/10/35/99/807103599.db2.gz HXNMTXGJHSVDIE-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257316677 807103601 /nfs/dbraw/zinc/10/36/01/807103601.db2.gz HXNMTXGJHSVDIE-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP [NH3+]C1(c2ccccc2F)CC[NH+](C2CCCC2)CC1 ZINC001257345989 807116834 /nfs/dbraw/zinc/11/68/34/807116834.db2.gz WFRNGVHIMQBARB-UHFFFAOYSA-N 2 2 262.372 3.018 20 0 CGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCCC1)[C@H]2C ZINC001257350378 807118368 /nfs/dbraw/zinc/11/83/68/807118368.db2.gz DOIVDKIFXNXSIV-AWEZNQCLSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCCC1)[C@H]2C ZINC001257350378 807118375 /nfs/dbraw/zinc/11/83/75/807118375.db2.gz DOIVDKIFXNXSIV-AWEZNQCLSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCCC1)[C@H]2C ZINC001257350378 807118382 /nfs/dbraw/zinc/11/83/82/807118382.db2.gz DOIVDKIFXNXSIV-AWEZNQCLSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCCC1)[C@H]2C ZINC001257350378 807118388 /nfs/dbraw/zinc/11/83/88/807118388.db2.gz DOIVDKIFXNXSIV-AWEZNQCLSA-N 2 2 290.455 3.043 20 0 CGADLP C[NH2+]Cc1cccc(Nc2[nH+]cnc3c2ccn3C(C)C)c1 ZINC001167033973 807133759 /nfs/dbraw/zinc/13/37/59/807133759.db2.gz YFLZEFNCCVAGJQ-UHFFFAOYSA-N 2 2 295.390 3.475 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471601 807172897 /nfs/dbraw/zinc/17/28/97/807172897.db2.gz NRMKMVAJPPOVGV-IRXDYDNUSA-N 3 2 285.520 3.194 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471601 807172898 /nfs/dbraw/zinc/17/28/98/807172898.db2.gz NRMKMVAJPPOVGV-IRXDYDNUSA-N 3 2 285.520 3.194 20 0 CGADLP CCc1ccc[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624753 807217990 /nfs/dbraw/zinc/21/79/90/807217990.db2.gz AOHIHXGADDRPFD-UHFFFAOYSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)nc1 ZINC001258003144 807263400 /nfs/dbraw/zinc/26/34/00/807263400.db2.gz CHUBYZYNIVPIEU-OAHLLOKOSA-N 2 2 275.440 3.161 20 0 CGADLP C[C@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1F ZINC001167985125 807290165 /nfs/dbraw/zinc/29/01/65/807290165.db2.gz VYWKCUFJWXWGDV-ALILYOIUSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1F ZINC001167985125 807290169 /nfs/dbraw/zinc/29/01/69/807290169.db2.gz VYWKCUFJWXWGDV-ALILYOIUSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1F ZINC001167985125 807290171 /nfs/dbraw/zinc/29/01/71/807290171.db2.gz VYWKCUFJWXWGDV-ALILYOIUSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1F ZINC001167985125 807290173 /nfs/dbraw/zinc/29/01/73/807290173.db2.gz VYWKCUFJWXWGDV-ALILYOIUSA-N 2 2 298.421 3.164 20 0 CGADLP CC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001168215030 807351776 /nfs/dbraw/zinc/35/17/76/807351776.db2.gz LLNQWWVIDPUERR-VIHIWDAPSA-N 2 2 299.462 3.024 20 0 CGADLP Fc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC001168358789 807391784 /nfs/dbraw/zinc/39/17/84/807391784.db2.gz VKEWEURLKJBYTO-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258280694 807392838 /nfs/dbraw/zinc/39/28/38/807392838.db2.gz ZZUIBOIULIBTMQ-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258280694 807392847 /nfs/dbraw/zinc/39/28/47/807392847.db2.gz ZZUIBOIULIBTMQ-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCC(C)(C)C1 ZINC001258292358 807400939 /nfs/dbraw/zinc/40/09/39/807400939.db2.gz SWDGQSHUXVLNMR-HNNXBMFYSA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCC(C)(C)C1 ZINC001258292358 807400941 /nfs/dbraw/zinc/40/09/41/807400941.db2.gz SWDGQSHUXVLNMR-HNNXBMFYSA-N 2 2 252.446 3.371 20 0 CGADLP CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299041 807403235 /nfs/dbraw/zinc/40/32/35/807403235.db2.gz XHZBRGYBJFCMRI-HRCADAONSA-N 2 2 282.447 3.463 20 0 CGADLP CC1(C)CCC[C@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299041 807403237 /nfs/dbraw/zinc/40/32/37/807403237.db2.gz XHZBRGYBJFCMRI-HRCADAONSA-N 2 2 282.447 3.463 20 0 CGADLP CCCCC[C@@H](CC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258448767 807456666 /nfs/dbraw/zinc/45/66/66/807456666.db2.gz YECGDQNWGGJDCM-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@@H](CC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258448767 807456670 /nfs/dbraw/zinc/45/66/70/807456670.db2.gz YECGDQNWGGJDCM-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258451082 807458438 /nfs/dbraw/zinc/45/84/38/807458438.db2.gz FZJVCEITNDJTMQ-QMTHXVAHSA-N 2 2 297.240 3.227 20 0 CGADLP CCCC1CCC([N@@H+]2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001258534473 807489962 /nfs/dbraw/zinc/48/99/62/807489962.db2.gz FTNXIFLCTVSJBO-ABHNRTSZSA-N 2 2 294.483 3.142 20 0 CGADLP CCCC1CCC([N@H+]2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001258534473 807489963 /nfs/dbraw/zinc/48/99/63/807489963.db2.gz FTNXIFLCTVSJBO-ABHNRTSZSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703761 807491133 /nfs/dbraw/zinc/49/11/33/807491133.db2.gz ASJLJTWCXXJBDS-LSDHHAIUSA-N 2 2 292.854 3.127 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703761 807491137 /nfs/dbraw/zinc/49/11/37/807491137.db2.gz ASJLJTWCXXJBDS-LSDHHAIUSA-N 2 2 292.854 3.127 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001258648906 807520381 /nfs/dbraw/zinc/52/03/81/807520381.db2.gz TYDJUBPPSTYNQR-KRWDZBQOSA-N 2 2 260.425 3.083 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C[NH+](C)C ZINC001258671734 807537747 /nfs/dbraw/zinc/53/77/47/807537747.db2.gz CPPKXLRNXJBXOK-GHMZBOCLSA-N 2 2 289.250 3.464 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125257 807585333 /nfs/dbraw/zinc/58/53/33/807585333.db2.gz XJLYGLCHNGFQOG-YIYPIFLZSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125257 807585336 /nfs/dbraw/zinc/58/53/36/807585336.db2.gz XJLYGLCHNGFQOG-YIYPIFLZSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001258813352 807630828 /nfs/dbraw/zinc/63/08/28/807630828.db2.gz JZHXEJZIIIUECG-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001258813352 807630833 /nfs/dbraw/zinc/63/08/33/807630833.db2.gz JZHXEJZIIIUECG-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(N)c(F)c[nH+]1 ZINC001169684997 807687328 /nfs/dbraw/zinc/68/73/28/807687328.db2.gz NDCDTSZAFRSJKB-ZDUSSCGKSA-N 2 2 286.354 3.043 20 0 CGADLP CN(c1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C(C)(C)C[NH3+] ZINC001170059216 807743796 /nfs/dbraw/zinc/74/37/96/807743796.db2.gz CMUVCZLPSMEXEQ-UHFFFAOYSA-N 2 2 294.402 3.403 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170914254 807932166 /nfs/dbraw/zinc/93/21/66/807932166.db2.gz ICQJGRCZBBGVJP-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170914254 807932169 /nfs/dbraw/zinc/93/21/69/807932169.db2.gz ICQJGRCZBBGVJP-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP Fc1cccc2c1C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171000453 807955393 /nfs/dbraw/zinc/95/53/93/807955393.db2.gz HIKJDZYVMOLCPQ-CABCVRRESA-N 2 2 299.393 3.219 20 0 CGADLP C[N@H+](CCF)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989608 808165345 /nfs/dbraw/zinc/16/53/45/808165345.db2.gz FFCPPZTVJMVYRZ-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP C[N@@H+](CCF)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171989608 808165351 /nfs/dbraw/zinc/16/53/51/808165351.db2.gz FFCPPZTVJMVYRZ-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP C[NH+](CCF)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989608 808165352 /nfs/dbraw/zinc/16/53/52/808165352.db2.gz FFCPPZTVJMVYRZ-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP C[NH+](CCF)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989608 808165357 /nfs/dbraw/zinc/16/53/57/808165357.db2.gz FFCPPZTVJMVYRZ-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383796 808277476 /nfs/dbraw/zinc/27/74/76/808277476.db2.gz RYPUSNGXUWNSSU-JSRQGNBESA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383796 808277482 /nfs/dbraw/zinc/27/74/82/808277482.db2.gz RYPUSNGXUWNSSU-JSRQGNBESA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546733 808375631 /nfs/dbraw/zinc/37/56/31/808375631.db2.gz PQIVYXFXIDRJMT-CGTJXYLNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172839018 808455496 /nfs/dbraw/zinc/45/54/96/808455496.db2.gz AJIZYYVJZGIQIR-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001173235899 808544627 /nfs/dbraw/zinc/54/46/27/808544627.db2.gz CHWVQTFYSCIXBF-MRXNPFEDSA-N 2 2 274.452 3.256 20 0 CGADLP CC[N@@H+]1CCCC2(C[NH+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275087569 808905822 /nfs/dbraw/zinc/90/58/22/808905822.db2.gz ZXVWAWNHJDVWOF-UHFFFAOYSA-N 2 2 297.446 3.128 20 0 CGADLP CC[N@H+]1CCCC2(C[NH+](CCc3c[nH]c4ccccc34)C2)C1 ZINC001275087569 808905827 /nfs/dbraw/zinc/90/58/27/808905827.db2.gz ZXVWAWNHJDVWOF-UHFFFAOYSA-N 2 2 297.446 3.128 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)cc[nH+]1 ZINC001174380351 808984475 /nfs/dbraw/zinc/98/44/75/808984475.db2.gz BPABONDJQNUFNR-UHFFFAOYSA-N 2 2 266.348 3.486 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccc(C)c3Cl)(C1)CCC2 ZINC001276260428 808996902 /nfs/dbraw/zinc/99/69/02/808996902.db2.gz DKLNJXDWDKFGTA-JKSUJKDBSA-N 2 2 293.842 3.198 20 0 CGADLP Cc1c2ccccc2sc1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276618924 809021632 /nfs/dbraw/zinc/02/16/32/809021632.db2.gz UUCZMARMXCMJLW-UHFFFAOYSA-N 2 2 286.444 3.347 20 0 CGADLP Cc1c2ccccc2sc1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276618924 809021639 /nfs/dbraw/zinc/02/16/39/809021639.db2.gz UUCZMARMXCMJLW-UHFFFAOYSA-N 2 2 286.444 3.347 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scc(C)c1Cl ZINC001276788820 809031657 /nfs/dbraw/zinc/03/16/57/809031657.db2.gz HVUQHEZSPHPTMY-YOGCLGLASA-N 2 2 284.856 3.425 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scc(C)c1Cl ZINC001276788820 809031663 /nfs/dbraw/zinc/03/16/63/809031663.db2.gz HVUQHEZSPHPTMY-YOGCLGLASA-N 2 2 284.856 3.425 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444431 809409364 /nfs/dbraw/zinc/40/93/64/809409364.db2.gz JASXNXIQFKCLRW-COXVUDFISA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444431 809409366 /nfs/dbraw/zinc/40/93/66/809409366.db2.gz JASXNXIQFKCLRW-COXVUDFISA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444431 809409370 /nfs/dbraw/zinc/40/93/70/809409370.db2.gz JASXNXIQFKCLRW-COXVUDFISA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444431 809409373 /nfs/dbraw/zinc/40/93/73/809409373.db2.gz JASXNXIQFKCLRW-COXVUDFISA-N 2 2 290.838 3.353 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001213528342 815298389 /nfs/dbraw/zinc/29/83/89/815298389.db2.gz BGIBPUASWZSVCX-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001177200237 809786866 /nfs/dbraw/zinc/78/68/66/809786866.db2.gz USQQYCDJSVAIFV-RRFJBIMHSA-N 2 2 272.502 3.227 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177764148 809819150 /nfs/dbraw/zinc/81/91/50/809819150.db2.gz CFWNQZUFPGSCME-BXUZGUMPSA-N 2 2 261.394 3.212 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179147528 809906545 /nfs/dbraw/zinc/90/65/45/809906545.db2.gz HVHARDNNRPWDDA-WCXIOVBPSA-N 2 2 264.457 3.275 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC001181586838 810060572 /nfs/dbraw/zinc/06/05/72/810060572.db2.gz DONCAHAFEFBPNL-HRCADAONSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC001181586838 810060575 /nfs/dbraw/zinc/06/05/75/810060575.db2.gz DONCAHAFEFBPNL-HRCADAONSA-N 2 2 252.446 3.419 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238304 810141913 /nfs/dbraw/zinc/14/19/13/810141913.db2.gz JSHJOEJCWKUKLL-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238304 810141915 /nfs/dbraw/zinc/14/19/15/810141915.db2.gz JSHJOEJCWKUKLL-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378817 810147597 /nfs/dbraw/zinc/14/75/97/810147597.db2.gz FMXPGABWUFONFM-BMFZPTHFSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378817 810147601 /nfs/dbraw/zinc/14/76/01/810147601.db2.gz FMXPGABWUFONFM-BMFZPTHFSA-N 2 2 282.497 3.125 20 0 CGADLP Cc1coc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC001199750547 811595146 /nfs/dbraw/zinc/59/51/46/811595146.db2.gz FODXFQAJJUZAEM-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2ccc3ncccc3c2)[nH+]c1 ZINC001200900845 811762040 /nfs/dbraw/zinc/76/20/40/811762040.db2.gz BZHFEGGSQWCJAD-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP Cn1c[nH+]c2cc(Nc3cccc(C[NH+](C)C)c3)ccc21 ZINC001201400421 811828871 /nfs/dbraw/zinc/82/88/71/811828871.db2.gz YLGSFBWPZMYVDY-UHFFFAOYSA-N 2 2 280.375 3.379 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001201402234 811831870 /nfs/dbraw/zinc/83/18/70/811831870.db2.gz ZLSYNCFGIWKBEH-MRXNPFEDSA-N 2 2 274.408 3.423 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001201402234 811831879 /nfs/dbraw/zinc/83/18/79/811831879.db2.gz ZLSYNCFGIWKBEH-MRXNPFEDSA-N 2 2 274.408 3.423 20 0 CGADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCS1 ZINC001201408049 811832385 /nfs/dbraw/zinc/83/23/85/811832385.db2.gz PXVDJSLKGKBQJK-CQSZACIVSA-N 2 2 293.461 3.309 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201564296 811905658 /nfs/dbraw/zinc/90/56/58/811905658.db2.gz XYBZEYHQPNTKAX-ZFWWWQNUSA-N 2 2 262.397 3.279 20 0 CGADLP CCC[C@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201564296 811905663 /nfs/dbraw/zinc/90/56/63/811905663.db2.gz XYBZEYHQPNTKAX-ZFWWWQNUSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1Br ZINC001202587414 812129136 /nfs/dbraw/zinc/12/91/36/812129136.db2.gz KDZMSGMMWNIZCF-NSHDSACASA-N 2 2 299.256 3.045 20 0 CGADLP CCc1[nH]c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(C)[nH+]1 ZINC001203248203 812281710 /nfs/dbraw/zinc/28/17/10/812281710.db2.gz QKCVROYKVLMEPN-OKILXGFUSA-N 2 2 281.403 3.367 20 0 CGADLP CCc1[nH]c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(C)[nH+]1 ZINC001203248203 812281713 /nfs/dbraw/zinc/28/17/13/812281713.db2.gz QKCVROYKVLMEPN-OKILXGFUSA-N 2 2 281.403 3.367 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001203416971 812351530 /nfs/dbraw/zinc/35/15/30/812351530.db2.gz KKQSHRWASBSVLJ-NEPJUHHUSA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001203416971 812351539 /nfs/dbraw/zinc/35/15/39/812351539.db2.gz KKQSHRWASBSVLJ-NEPJUHHUSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001203416971 812351549 /nfs/dbraw/zinc/35/15/49/812351549.db2.gz KKQSHRWASBSVLJ-NEPJUHHUSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC001203416971 812351558 /nfs/dbraw/zinc/35/15/58/812351558.db2.gz KKQSHRWASBSVLJ-NEPJUHHUSA-N 2 2 299.245 3.377 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(OC)cc1C ZINC001203759142 812456868 /nfs/dbraw/zinc/45/68/68/812456868.db2.gz XXLJQDQLBQRPMQ-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(OC)cc1C ZINC001203759142 812456872 /nfs/dbraw/zinc/45/68/72/812456872.db2.gz XXLJQDQLBQRPMQ-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP c1ccc(Cc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204675817 812705833 /nfs/dbraw/zinc/70/58/33/812705833.db2.gz ZEPQDEQRVPAFFP-UHFFFAOYSA-N 2 2 280.415 3.073 20 0 CGADLP c1ccc(Cc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204675817 812705839 /nfs/dbraw/zinc/70/58/39/812705839.db2.gz ZEPQDEQRVPAFFP-UHFFFAOYSA-N 2 2 280.415 3.073 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC001204699300 812711023 /nfs/dbraw/zinc/71/10/23/812711023.db2.gz KDNZBYPOAOKSQA-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP Cc1ccccc1N(C)c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC001204699300 812711030 /nfs/dbraw/zinc/71/10/30/812711030.db2.gz KDNZBYPOAOKSQA-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@](C)([NH3+])C3)c2)cc1 ZINC001204770523 812731050 /nfs/dbraw/zinc/73/10/50/812731050.db2.gz GDFBPPCPDRMWKQ-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@](C)([NH3+])C3)c2)cc1 ZINC001204770523 812731052 /nfs/dbraw/zinc/73/10/52/812731052.db2.gz GDFBPPCPDRMWKQ-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001204925631 812778565 /nfs/dbraw/zinc/77/85/65/812778565.db2.gz YHUPKHSNCPGFCY-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001204925631 812778571 /nfs/dbraw/zinc/77/85/71/812778571.db2.gz YHUPKHSNCPGFCY-CQSZACIVSA-N 2 2 272.367 3.292 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])s1 ZINC001204925057 812778604 /nfs/dbraw/zinc/77/86/04/812778604.db2.gz KWZAKBWCWULTLT-ZDUSSCGKSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])s1 ZINC001204925057 812778609 /nfs/dbraw/zinc/77/86/09/812778609.db2.gz KWZAKBWCWULTLT-ZDUSSCGKSA-N 2 2 266.454 3.404 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1OC(C)C ZINC001204933865 812783911 /nfs/dbraw/zinc/78/39/11/812783911.db2.gz XLHGRNPRPSAVIG-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1OC(C)C ZINC001204933865 812783916 /nfs/dbraw/zinc/78/39/16/812783916.db2.gz XLHGRNPRPSAVIG-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204940149 812788303 /nfs/dbraw/zinc/78/83/03/812788303.db2.gz VVGVPUAKLNEQDB-KRWDZBQOSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204940149 812788305 /nfs/dbraw/zinc/78/83/05/812788305.db2.gz VVGVPUAKLNEQDB-KRWDZBQOSA-N 2 2 276.424 3.179 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001205016223 812826525 /nfs/dbraw/zinc/82/65/25/812826525.db2.gz HAXACXMHTLFDTF-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001205016223 812826534 /nfs/dbraw/zinc/82/65/34/812826534.db2.gz HAXACXMHTLFDTF-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205082180 812851696 /nfs/dbraw/zinc/85/16/96/812851696.db2.gz BWHICVQBMAEVAB-FZMZJTMJSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001205082180 812851700 /nfs/dbraw/zinc/85/17/00/812851700.db2.gz BWHICVQBMAEVAB-FZMZJTMJSA-N 2 2 289.810 3.200 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205094667 812860218 /nfs/dbraw/zinc/86/02/18/812860218.db2.gz NWHXVXCYIJPMLC-JTQLQIEISA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC001205094667 812860222 /nfs/dbraw/zinc/86/02/22/812860222.db2.gz NWHXVXCYIJPMLC-JTQLQIEISA-N 2 2 273.207 3.307 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205303161 812940158 /nfs/dbraw/zinc/94/01/58/812940158.db2.gz ABZMMVMRCDLWDG-JQWIXIFHSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205303161 812940165 /nfs/dbraw/zinc/94/01/65/812940165.db2.gz ABZMMVMRCDLWDG-JQWIXIFHSA-N 2 2 284.806 3.204 20 0 CGADLP CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC001205594050 813014836 /nfs/dbraw/zinc/01/48/36/813014836.db2.gz OQOPZMIGRYSXRQ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC001205594050 813014846 /nfs/dbraw/zinc/01/48/46/813014846.db2.gz OQOPZMIGRYSXRQ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2)o1 ZINC001205880295 813118043 /nfs/dbraw/zinc/11/80/43/813118043.db2.gz BKNJESHKBGGJGT-DYVFJYSZSA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2)o1 ZINC001205880295 813118046 /nfs/dbraw/zinc/11/80/46/813118046.db2.gz BKNJESHKBGGJGT-DYVFJYSZSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1)c1cccc2ccccc21 ZINC001205895527 813121383 /nfs/dbraw/zinc/12/13/83/813121383.db2.gz HSXZZHRNXXUWJR-FSPWUOQZSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1)c1cccc2ccccc21 ZINC001205895527 813121384 /nfs/dbraw/zinc/12/13/84/813121384.db2.gz HSXZZHRNXXUWJR-FSPWUOQZSA-N 2 2 286.394 3.314 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931468 813139245 /nfs/dbraw/zinc/13/92/45/813139245.db2.gz JLBDJQXOFWLXLN-OAHLLOKOSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931468 813139248 /nfs/dbraw/zinc/13/92/48/813139248.db2.gz JLBDJQXOFWLXLN-OAHLLOKOSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205938892 813142012 /nfs/dbraw/zinc/14/20/12/813142012.db2.gz LUGDWQYZLOWNIR-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205938892 813142015 /nfs/dbraw/zinc/14/20/15/813142015.db2.gz LUGDWQYZLOWNIR-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP C[NH+]1CCC2(C[NH+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC001206027867 813170609 /nfs/dbraw/zinc/17/06/09/813170609.db2.gz GGJNYVUTGBQMFR-UHFFFAOYSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)o1 ZINC001206065062 813188077 /nfs/dbraw/zinc/18/80/77/813188077.db2.gz KCWFXJUPRCGXPV-MLGOLLRUSA-N 2 2 270.376 3.034 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)o1 ZINC001206065062 813188081 /nfs/dbraw/zinc/18/80/81/813188081.db2.gz KCWFXJUPRCGXPV-MLGOLLRUSA-N 2 2 270.376 3.034 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344269 813296435 /nfs/dbraw/zinc/29/64/35/813296435.db2.gz PYPQFHRPTHWTDC-KRWDZBQOSA-N 2 2 294.414 3.127 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344269 813296438 /nfs/dbraw/zinc/29/64/38/813296438.db2.gz PYPQFHRPTHWTDC-KRWDZBQOSA-N 2 2 294.414 3.127 20 0 CGADLP Cc1ccc2c(Nc3cc[nH+]c(N)c3)cccc2[nH+]1 ZINC001206569063 813356844 /nfs/dbraw/zinc/35/68/44/813356844.db2.gz VVBOYSRHGDHROG-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C[C@H]1OC ZINC001206646185 813386817 /nfs/dbraw/zinc/38/68/17/813386817.db2.gz PQYFZGKTLNXYAA-RBSFLKMASA-N 2 2 282.472 3.043 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C[C@H]1OC ZINC001206646185 813386820 /nfs/dbraw/zinc/38/68/20/813386820.db2.gz PQYFZGKTLNXYAA-RBSFLKMASA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CSC2)CC1 ZINC001206661296 813391196 /nfs/dbraw/zinc/39/11/96/813391196.db2.gz SOXWGWRPSNLGPA-HNNXBMFYSA-N 2 2 296.524 3.372 20 0 CGADLP Cc1ccc(Nc2c[nH+]c(N(C)C)cc2C)c(C)[nH+]1 ZINC001206714367 813404778 /nfs/dbraw/zinc/40/47/78/813404778.db2.gz JNPQJAYGLDRDQA-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCCC1 ZINC001207057807 813474523 /nfs/dbraw/zinc/47/45/23/813474523.db2.gz LKXWAYXXMCRYOW-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC001207057807 813474526 /nfs/dbraw/zinc/47/45/26/813474526.db2.gz LKXWAYXXMCRYOW-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)[N@H+](CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207237080 813519830 /nfs/dbraw/zinc/51/98/30/813519830.db2.gz FRXFPMUMKKMLAE-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP CC(C)[N@@H+](CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207237080 813519833 /nfs/dbraw/zinc/51/98/33/813519833.db2.gz FRXFPMUMKKMLAE-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)c1 ZINC001208694004 813798335 /nfs/dbraw/zinc/79/83/35/813798335.db2.gz UUNPVFKOYFJRFM-OALUTQOASA-N 2 2 299.462 3.026 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235372 813977915 /nfs/dbraw/zinc/97/79/15/813977915.db2.gz OVLWTJVXSKPVHO-OALUTQOASA-N 2 2 286.463 3.425 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235372 813977919 /nfs/dbraw/zinc/97/79/19/813977919.db2.gz OVLWTJVXSKPVHO-OALUTQOASA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235372 813977923 /nfs/dbraw/zinc/97/79/23/813977923.db2.gz OVLWTJVXSKPVHO-OALUTQOASA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]21 ZINC001209235372 813977926 /nfs/dbraw/zinc/97/79/26/813977926.db2.gz OVLWTJVXSKPVHO-OALUTQOASA-N 2 2 286.463 3.425 20 0 CGADLP c1cn(Cc2ccccc2-c2ccc3c(c2)C[NH2+]C3)c[nH+]1 ZINC001242674697 823094821 /nfs/dbraw/zinc/09/48/21/823094821.db2.gz SMCHBXFQZXEMOE-UHFFFAOYSA-N 2 2 275.355 3.202 20 0 CGADLP Oc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1Cl ZINC001242800026 823136826 /nfs/dbraw/zinc/13/68/26/823136826.db2.gz JGEXXFDMBLALSS-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237409 816382343 /nfs/dbraw/zinc/38/23/43/816382343.db2.gz IJUASHNIIZXHKH-MRXNPFEDSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237409 816382352 /nfs/dbraw/zinc/38/23/52/816382352.db2.gz IJUASHNIIZXHKH-MRXNPFEDSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249471 816386444 /nfs/dbraw/zinc/38/64/44/816386444.db2.gz SYMNRMQVBUFGGF-INIZCTEOSA-N 2 2 280.362 3.342 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222249471 816386449 /nfs/dbraw/zinc/38/64/49/816386449.db2.gz SYMNRMQVBUFGGF-INIZCTEOSA-N 2 2 280.362 3.342 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c21 ZINC001222344818 816413701 /nfs/dbraw/zinc/41/37/01/816413701.db2.gz DCLLGMQZAPWISS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c21 ZINC001222344818 816413706 /nfs/dbraw/zinc/41/37/06/816413706.db2.gz DCLLGMQZAPWISS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222346339 816415734 /nfs/dbraw/zinc/41/57/34/816415734.db2.gz QJRSINGZLLZMQT-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222346339 816415739 /nfs/dbraw/zinc/41/57/39/816415739.db2.gz QJRSINGZLLZMQT-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222477974 816455022 /nfs/dbraw/zinc/45/50/22/816455022.db2.gz WZQLHVRXDBUKFU-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222477974 816455025 /nfs/dbraw/zinc/45/50/25/816455025.db2.gz WZQLHVRXDBUKFU-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(C)c1F)C1CC[NH+](C)CC1 ZINC001231477960 818106876 /nfs/dbraw/zinc/10/68/76/818106876.db2.gz VMNDCCXWLXNFBO-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(C)c1F)C1CC[NH+](C)CC1 ZINC001231477960 818106879 /nfs/dbraw/zinc/10/68/79/818106879.db2.gz VMNDCCXWLXNFBO-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@H+](Cc1ccnc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001232216066 818280488 /nfs/dbraw/zinc/28/04/88/818280488.db2.gz OGNCVWWWUQCCHC-UHFFFAOYSA-N 2 2 289.467 3.295 20 0 CGADLP CC[N@@H+](Cc1ccnc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001232216066 818280491 /nfs/dbraw/zinc/28/04/91/818280491.db2.gz OGNCVWWWUQCCHC-UHFFFAOYSA-N 2 2 289.467 3.295 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4ncsc43)CC2)c[nH+]1 ZINC001232736036 818429342 /nfs/dbraw/zinc/42/93/42/818429342.db2.gz VOTQDNPMRNMXDJ-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@H]2C1 ZINC001233251062 818555940 /nfs/dbraw/zinc/55/59/40/818555940.db2.gz MICQPRYUVOPZCA-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)sn1 ZINC001233311798 818574074 /nfs/dbraw/zinc/57/40/74/818574074.db2.gz JXTHGEKIKLMFND-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)sn1 ZINC001233311798 818574080 /nfs/dbraw/zinc/57/40/80/818574080.db2.gz JXTHGEKIKLMFND-HNNXBMFYSA-N 2 2 293.480 3.292 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC001233364017 818597826 /nfs/dbraw/zinc/59/78/26/818597826.db2.gz LASXHLMVKFFPDC-HUUCEWRRSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC001233364017 818597829 /nfs/dbraw/zinc/59/78/29/818597829.db2.gz LASXHLMVKFFPDC-HUUCEWRRSA-N 2 2 269.392 3.346 20 0 CGADLP COc1cc(C[N@@H+]2CC3CCC2CC3)ccc1-n1cc[nH+]c1 ZINC001234066741 818772038 /nfs/dbraw/zinc/77/20/38/818772038.db2.gz NPSUZQPFLZYXGP-UHFFFAOYSA-N 2 2 297.402 3.255 20 0 CGADLP COc1cc(C[N@H+]2CC3CCC2CC3)ccc1-n1cc[nH+]c1 ZINC001234066741 818772041 /nfs/dbraw/zinc/77/20/41/818772041.db2.gz NPSUZQPFLZYXGP-UHFFFAOYSA-N 2 2 297.402 3.255 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC001235001003 818973733 /nfs/dbraw/zinc/97/37/33/818973733.db2.gz QWBLELPRSMALSE-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC001235001003 818973734 /nfs/dbraw/zinc/97/37/34/818973734.db2.gz QWBLELPRSMALSE-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cccc(-c2ccccc2)c1 ZINC001235005748 818977028 /nfs/dbraw/zinc/97/70/28/818977028.db2.gz GUAIRQOOEDIHBF-UHFFFAOYSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1cccc(-c2ccccc2)c1 ZINC001235005748 818977032 /nfs/dbraw/zinc/97/70/32/818977032.db2.gz GUAIRQOOEDIHBF-UHFFFAOYSA-N 2 2 278.399 3.277 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016224 818978520 /nfs/dbraw/zinc/97/85/20/818978520.db2.gz DHONFALRNJAXCX-XJNFMUPTSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016224 818978525 /nfs/dbraw/zinc/97/85/25/818978525.db2.gz DHONFALRNJAXCX-XJNFMUPTSA-N 2 2 290.838 3.127 20 0 CGADLP COc1c(C)cccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041457 818988991 /nfs/dbraw/zinc/98/89/91/818988991.db2.gz ZUNZDZVUJGYPPO-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1c(C)cccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041457 818988993 /nfs/dbraw/zinc/98/89/93/818988993.db2.gz ZUNZDZVUJGYPPO-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042963 818990409 /nfs/dbraw/zinc/99/04/09/818990409.db2.gz DJESSMJNRPEMRF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042963 818990410 /nfs/dbraw/zinc/99/04/10/818990410.db2.gz DJESSMJNRPEMRF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235117636 819010591 /nfs/dbraw/zinc/01/05/91/819010591.db2.gz QEUDOOFPYWEEBL-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c21 ZINC001235117636 819010593 /nfs/dbraw/zinc/01/05/93/819010593.db2.gz QEUDOOFPYWEEBL-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2o1 ZINC001235130627 819014044 /nfs/dbraw/zinc/01/40/44/819014044.db2.gz URJSZCMKCVYQBW-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2o1 ZINC001235130627 819014049 /nfs/dbraw/zinc/01/40/49/819014049.db2.gz URJSZCMKCVYQBW-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP CC(C)(C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235147910 819016616 /nfs/dbraw/zinc/01/66/16/819016616.db2.gz VMMJMSICHDKUTJ-NHYWBVRUSA-N 2 2 296.867 3.244 20 0 CGADLP CC(C)(C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1)Sc1ccc(Cl)cc1 ZINC001235147910 819016621 /nfs/dbraw/zinc/01/66/21/819016621.db2.gz VMMJMSICHDKUTJ-NHYWBVRUSA-N 2 2 296.867 3.244 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235158348 819019187 /nfs/dbraw/zinc/01/91/87/819019187.db2.gz FGHVNJKIGKDUIW-PKOBYXMFSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235158348 819019192 /nfs/dbraw/zinc/01/91/92/819019192.db2.gz FGHVNJKIGKDUIW-PKOBYXMFSA-N 2 2 296.389 3.416 20 0 CGADLP COc1cc(C)cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167432 819021475 /nfs/dbraw/zinc/02/14/75/819021475.db2.gz JDADHBAKCTUNGG-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C)cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235167432 819021476 /nfs/dbraw/zinc/02/14/76/819021476.db2.gz JDADHBAKCTUNGG-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235173176 819023808 /nfs/dbraw/zinc/02/38/08/819023808.db2.gz KQRXDGIEPTZOJW-MAUKXSAKSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235173176 819023810 /nfs/dbraw/zinc/02/38/10/819023810.db2.gz KQRXDGIEPTZOJW-MAUKXSAKSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cs1 ZINC001235174469 819024478 /nfs/dbraw/zinc/02/44/78/819024478.db2.gz IFUOBRKGTABUCG-OAHLLOKOSA-N 2 2 264.438 3.165 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cs1 ZINC001235174469 819024482 /nfs/dbraw/zinc/02/44/82/819024482.db2.gz IFUOBRKGTABUCG-OAHLLOKOSA-N 2 2 264.438 3.165 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235214007 819038941 /nfs/dbraw/zinc/03/89/41/819038941.db2.gz RIKYOLMKEWSSGR-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235214007 819038949 /nfs/dbraw/zinc/03/89/49/819038949.db2.gz RIKYOLMKEWSSGR-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246061 819046580 /nfs/dbraw/zinc/04/65/80/819046580.db2.gz SXDUBLRBIFYWAM-CRAIPNDOSA-N 2 2 288.435 3.177 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235246061 819046576 /nfs/dbraw/zinc/04/65/76/819046576.db2.gz SXDUBLRBIFYWAM-CRAIPNDOSA-N 2 2 288.435 3.177 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)ccc1-2 ZINC001235258959 819053623 /nfs/dbraw/zinc/05/36/23/819053623.db2.gz LMXMSBBYHGHHOH-YLJYHZDGSA-N 2 2 290.410 3.052 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)ccc1-2 ZINC001235258959 819053628 /nfs/dbraw/zinc/05/36/28/819053628.db2.gz LMXMSBBYHGHHOH-YLJYHZDGSA-N 2 2 290.410 3.052 20 0 CGADLP CN(c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1)c1ccccc1F ZINC001235362078 819080309 /nfs/dbraw/zinc/08/03/09/819080309.db2.gz KONVGSXJCDLRSR-HNNXBMFYSA-N 2 2 299.393 3.127 20 0 CGADLP CN(c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1)c1ccccc1F ZINC001235362078 819080318 /nfs/dbraw/zinc/08/03/18/819080318.db2.gz KONVGSXJCDLRSR-HNNXBMFYSA-N 2 2 299.393 3.127 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1ccc(OC(F)(F)F)cc1Cl ZINC001235435190 819097894 /nfs/dbraw/zinc/09/78/94/819097894.db2.gz CBJODZFROWJSTE-UHFFFAOYSA-N 2 2 296.720 3.019 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)(F)F)cc1Cl ZINC001235435190 819097901 /nfs/dbraw/zinc/09/79/01/819097901.db2.gz CBJODZFROWJSTE-UHFFFAOYSA-N 2 2 296.720 3.019 20 0 CGADLP CCCC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235663894 819132545 /nfs/dbraw/zinc/13/25/45/819132545.db2.gz MZARSOJJJXTOCV-INIZCTEOSA-N 2 2 276.424 3.013 20 0 CGADLP CCCC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235663894 819132548 /nfs/dbraw/zinc/13/25/48/819132548.db2.gz MZARSOJJJXTOCV-INIZCTEOSA-N 2 2 276.424 3.013 20 0 CGADLP CCCc1ccc(C[NH+]2CCC([NH2+]CC)CC2)s1 ZINC001235727479 819155441 /nfs/dbraw/zinc/15/54/41/819155441.db2.gz XWYCUIMBJDQJTD-UHFFFAOYSA-N 2 2 266.454 3.275 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235840541 819182375 /nfs/dbraw/zinc/18/23/75/819182375.db2.gz NORQUDSZRQXDJE-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]2)cc1 ZINC001235840541 819182379 /nfs/dbraw/zinc/18/23/79/819182379.db2.gz NORQUDSZRQXDJE-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842020 819183866 /nfs/dbraw/zinc/18/38/66/819183866.db2.gz LUOXNHWMTQDEEA-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001235842020 819183869 /nfs/dbraw/zinc/18/38/69/819183869.db2.gz LUOXNHWMTQDEEA-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891209 819199860 /nfs/dbraw/zinc/19/98/60/819199860.db2.gz HGTSUHZPIQLEON-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891209 819199862 /nfs/dbraw/zinc/19/98/62/819199862.db2.gz HGTSUHZPIQLEON-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948027 819237453 /nfs/dbraw/zinc/23/74/53/819237453.db2.gz NQUPZKGDZIJGKQ-HOCLYGCPSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948027 819237459 /nfs/dbraw/zinc/23/74/59/819237459.db2.gz NQUPZKGDZIJGKQ-HOCLYGCPSA-N 2 2 278.827 3.271 20 0 CGADLP CC[N@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CC[NH2+]C1 ZINC001235971604 819254601 /nfs/dbraw/zinc/25/46/01/819254601.db2.gz ZUDPOLDLIYHODW-QGZVFWFLSA-N 2 2 274.452 3.413 20 0 CGADLP CC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@@H]1CC[NH2+]C1 ZINC001235971604 819254609 /nfs/dbraw/zinc/25/46/09/819254609.db2.gz ZUDPOLDLIYHODW-QGZVFWFLSA-N 2 2 274.452 3.413 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235989910 819262348 /nfs/dbraw/zinc/26/23/48/819262348.db2.gz FARNCXDSJAIPMY-CRAIPNDOSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235989910 819262353 /nfs/dbraw/zinc/26/23/53/819262353.db2.gz FARNCXDSJAIPMY-CRAIPNDOSA-N 2 2 288.435 3.014 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235994893 819264677 /nfs/dbraw/zinc/26/46/77/819264677.db2.gz VMQQWAMMXIVGOW-AEFFLSMTSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235994893 819264685 /nfs/dbraw/zinc/26/46/85/819264685.db2.gz VMQQWAMMXIVGOW-AEFFLSMTSA-N 2 2 272.436 3.297 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001236003613 819268596 /nfs/dbraw/zinc/26/85/96/819268596.db2.gz AFKPBCNPDGTIPZ-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cc(C)ccc12)[C@@H]1CCC[NH2+]C1 ZINC001236003613 819268604 /nfs/dbraw/zinc/26/86/04/819268604.db2.gz AFKPBCNPDGTIPZ-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001236006739 819271179 /nfs/dbraw/zinc/27/11/79/819271179.db2.gz JPLZEZGEJHITIU-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(C)c12)[C@@H]1CCC[NH2+]C1 ZINC001236006739 819271182 /nfs/dbraw/zinc/27/11/82/819271182.db2.gz JPLZEZGEJHITIU-OAHLLOKOSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC001236011299 819273435 /nfs/dbraw/zinc/27/34/35/819273435.db2.gz WTUYZYJCSPANFB-KRWDZBQOSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCC[NH2+]C1 ZINC001236011299 819273440 /nfs/dbraw/zinc/27/34/40/819273440.db2.gz WTUYZYJCSPANFB-KRWDZBQOSA-N 2 2 272.436 3.139 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045248 819282362 /nfs/dbraw/zinc/28/23/62/819282362.db2.gz BLCCNRACPQMFOX-PBHICJAKSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045248 819282366 /nfs/dbraw/zinc/28/23/66/819282366.db2.gz BLCCNRACPQMFOX-PBHICJAKSA-N 2 2 260.425 3.198 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccccc1CCc1ccccc1 ZINC001236144750 819344900 /nfs/dbraw/zinc/34/49/00/819344900.db2.gz UUHYDYUIXCBATN-UHFFFAOYSA-N 2 2 282.431 3.252 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccccc1CCc1ccccc1 ZINC001236144750 819344906 /nfs/dbraw/zinc/34/49/06/819344906.db2.gz UUHYDYUIXCBATN-UHFFFAOYSA-N 2 2 282.431 3.252 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236171965 819354619 /nfs/dbraw/zinc/35/46/19/819354619.db2.gz ALLLBLXPIGWZFJ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C2)cccc1-c1ccccc1 ZINC001236171965 819354626 /nfs/dbraw/zinc/35/46/26/819354626.db2.gz ALLLBLXPIGWZFJ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP CCC[N@H+](Cc1c(F)cc(C)cc1OC)C1CC[NH2+]CC1 ZINC001236184101 819360777 /nfs/dbraw/zinc/36/07/77/819360777.db2.gz FFQIEGSBDXRCOY-UHFFFAOYSA-N 2 2 294.414 3.107 20 0 CGADLP CCC[N@@H+](Cc1c(F)cc(C)cc1OC)C1CC[NH2+]CC1 ZINC001236184101 819360784 /nfs/dbraw/zinc/36/07/84/819360784.db2.gz FFQIEGSBDXRCOY-UHFFFAOYSA-N 2 2 294.414 3.107 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236202766 819365483 /nfs/dbraw/zinc/36/54/83/819365483.db2.gz TVUVCJXFLYNYJH-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236202766 819365490 /nfs/dbraw/zinc/36/54/90/819365490.db2.gz TVUVCJXFLYNYJH-GOSISDBHSA-N 2 2 268.404 3.414 20 0 CGADLP COc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C(C)C ZINC001236205652 819367408 /nfs/dbraw/zinc/36/74/08/819367408.db2.gz FZJGRLBOMJIHDL-GOSISDBHSA-N 2 2 290.451 3.393 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C(C)C ZINC001236205652 819367412 /nfs/dbraw/zinc/36/74/12/819367412.db2.gz FZJGRLBOMJIHDL-GOSISDBHSA-N 2 2 290.451 3.393 20 0 CGADLP C[N@H+](Cc1ccc(C2CC2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207736 819370140 /nfs/dbraw/zinc/37/01/40/819370140.db2.gz RLXJHBQRBTYCFE-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207736 819370149 /nfs/dbraw/zinc/37/01/49/819370149.db2.gz RLXJHBQRBTYCFE-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213610 819375213 /nfs/dbraw/zinc/37/52/13/819375213.db2.gz CHMUVLUAHZYCGO-HZPDHXFCSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213610 819375218 /nfs/dbraw/zinc/37/52/18/819375218.db2.gz CHMUVLUAHZYCGO-HZPDHXFCSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236217794 819384452 /nfs/dbraw/zinc/38/44/52/819384452.db2.gz QOEOZHLWOMOIBT-UONOGXRCSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1Cl ZINC001236217794 819384460 /nfs/dbraw/zinc/38/44/60/819384460.db2.gz QOEOZHLWOMOIBT-UONOGXRCSA-N 2 2 282.815 3.050 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219448 819386329 /nfs/dbraw/zinc/38/63/29/819386329.db2.gz WJGHAYDXZZHXEA-YOEHRIQHSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219448 819386334 /nfs/dbraw/zinc/38/63/34/819386334.db2.gz WJGHAYDXZZHXEA-YOEHRIQHSA-N 2 2 271.408 3.178 20 0 CGADLP CCC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001236324008 819425992 /nfs/dbraw/zinc/42/59/92/819425992.db2.gz OLYOOWHBQIOPSV-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CCC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@H]1CC[NH2+]C1 ZINC001236324008 819425995 /nfs/dbraw/zinc/42/59/95/819425995.db2.gz OLYOOWHBQIOPSV-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CCC[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236323307 819426078 /nfs/dbraw/zinc/42/60/78/819426078.db2.gz DITGJMJXSNUQAZ-ZDUSSCGKSA-N 2 2 276.355 3.146 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CC[NH2+]C1 ZINC001236323307 819426081 /nfs/dbraw/zinc/42/60/81/819426081.db2.gz DITGJMJXSNUQAZ-ZDUSSCGKSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410713 819457307 /nfs/dbraw/zinc/45/73/07/819457307.db2.gz JSEPPPDRMRFNGR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1cc(F)cc(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410713 819457311 /nfs/dbraw/zinc/45/73/11/819457311.db2.gz JSEPPPDRMRFNGR-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236416307 819462573 /nfs/dbraw/zinc/46/25/73/819462573.db2.gz DBYNJZWETSEAHB-GOSISDBHSA-N 2 2 292.426 3.442 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236416307 819462577 /nfs/dbraw/zinc/46/25/77/819462577.db2.gz DBYNJZWETSEAHB-GOSISDBHSA-N 2 2 292.426 3.442 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236434651 819478552 /nfs/dbraw/zinc/47/85/52/819478552.db2.gz ODGBCOUJISGCND-INIZCTEOSA-N 2 2 290.407 3.288 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC001236434651 819478556 /nfs/dbraw/zinc/47/85/56/819478556.db2.gz ODGBCOUJISGCND-INIZCTEOSA-N 2 2 290.407 3.288 20 0 CGADLP CC(C)[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468783 819489742 /nfs/dbraw/zinc/48/97/42/819489742.db2.gz MOAZQCVCPDEEOI-CQSZACIVSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468783 819489744 /nfs/dbraw/zinc/48/97/44/819489744.db2.gz MOAZQCVCPDEEOI-CQSZACIVSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)[N@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529375 819520319 /nfs/dbraw/zinc/52/03/19/819520319.db2.gz LMECNZNIIHNBIY-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC001236529375 819520324 /nfs/dbraw/zinc/52/03/24/819520324.db2.gz LMECNZNIIHNBIY-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647786 819559531 /nfs/dbraw/zinc/55/95/31/819559531.db2.gz NDIQIVWJIRMUGT-LHHMISFZSA-N 2 2 274.452 3.195 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647786 819559536 /nfs/dbraw/zinc/55/95/36/819559536.db2.gz NDIQIVWJIRMUGT-LHHMISFZSA-N 2 2 274.452 3.195 20 0 CGADLP CCC[C@@H](C)C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646639 819560097 /nfs/dbraw/zinc/56/00/97/819560097.db2.gz HCTDZGDQTQAJFZ-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H](C)C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646639 819560100 /nfs/dbraw/zinc/56/01/00/819560100.db2.gz HCTDZGDQTQAJFZ-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236829898 819610532 /nfs/dbraw/zinc/61/05/32/819610532.db2.gz LKFCTZHJLPUGBH-PGUXBMHVSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236829898 819610536 /nfs/dbraw/zinc/61/05/36/819610536.db2.gz LKFCTZHJLPUGBH-PGUXBMHVSA-N 2 2 299.245 3.471 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082382 819662705 /nfs/dbraw/zinc/66/27/05/819662705.db2.gz PJZNWAXJIMOVNN-KRWDZBQOSA-N 2 2 294.414 3.174 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082382 819662707 /nfs/dbraw/zinc/66/27/07/819662707.db2.gz PJZNWAXJIMOVNN-KRWDZBQOSA-N 2 2 294.414 3.174 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082880 819664341 /nfs/dbraw/zinc/66/43/41/819664341.db2.gz UHIZDUQZYSXLLK-KRWDZBQOSA-N 2 2 294.414 3.175 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237082880 819664345 /nfs/dbraw/zinc/66/43/45/819664345.db2.gz UHIZDUQZYSXLLK-KRWDZBQOSA-N 2 2 294.414 3.175 20 0 CGADLP c1c2ccccc2[nH]c1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153779 819680967 /nfs/dbraw/zinc/68/09/67/819680967.db2.gz HPAIBIOIQBLZAG-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237153779 819680970 /nfs/dbraw/zinc/68/09/70/819680970.db2.gz HPAIBIOIQBLZAG-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001237406984 819745571 /nfs/dbraw/zinc/74/55/71/819745571.db2.gz WHCOEASRLDHDRD-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001237406984 819745577 /nfs/dbraw/zinc/74/55/77/819745577.db2.gz WHCOEASRLDHDRD-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237402618 819745586 /nfs/dbraw/zinc/74/55/86/819745586.db2.gz ISDGHLXMCLIECR-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237402618 819745593 /nfs/dbraw/zinc/74/55/93/819745593.db2.gz ISDGHLXMCLIECR-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414111 819747406 /nfs/dbraw/zinc/74/74/06/819747406.db2.gz KMPVJYWZCODUKE-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414111 819747410 /nfs/dbraw/zinc/74/74/10/819747410.db2.gz KMPVJYWZCODUKE-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(C)c3Cl)C[C@@H]2C1 ZINC001237703682 819811995 /nfs/dbraw/zinc/81/19/95/819811995.db2.gz AFMTZVQVJJBVCP-HOTGVXAUSA-N 2 2 292.854 3.340 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CO4)cc21 ZINC001237880575 819869395 /nfs/dbraw/zinc/86/93/95/819869395.db2.gz YOFMPPPZAUGXNE-IAGOWNOFSA-N 2 2 298.430 3.051 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CO4)cc21 ZINC001237880575 819869405 /nfs/dbraw/zinc/86/94/05/819869405.db2.gz YOFMPPPZAUGXNE-IAGOWNOFSA-N 2 2 298.430 3.051 20 0 CGADLP [NH3+]CCc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243659355 823477299 /nfs/dbraw/zinc/47/72/99/823477299.db2.gz UPOZLPKKIYIIQE-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3F)c2)C1 ZINC001239556205 820408767 /nfs/dbraw/zinc/40/87/67/820408767.db2.gz QVQYCYGFKWFKTJ-OAHLLOKOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3F)c2)C1 ZINC001239556205 820408770 /nfs/dbraw/zinc/40/87/70/820408770.db2.gz QVQYCYGFKWFKTJ-OAHLLOKOSA-N 2 2 270.351 3.026 20 0 CGADLP CN(C)c1cc[nH+]c(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243658472 823477856 /nfs/dbraw/zinc/47/78/56/823477856.db2.gz YVYFHCNRRJALFY-UHFFFAOYSA-N 2 2 278.359 3.059 20 0 CGADLP CN(C)c1cc(-c2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC001240059956 820806818 /nfs/dbraw/zinc/80/68/18/820806818.db2.gz QRKSCIWAJUAHTK-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP c1cn2cc(-c3ccc([C@H]4CC[NH2+]C4)cc3)ccc2[nH+]1 ZINC001240222055 820898834 /nfs/dbraw/zinc/89/88/34/820898834.db2.gz VYYLYIHQRIUUIL-HNNXBMFYSA-N 2 2 263.344 3.078 20 0 CGADLP C[N@@H+]1CC[C@@H](c2ccc(-c3ccn4cc[nH+]c4c3)cc2)C1 ZINC001240518953 821116657 /nfs/dbraw/zinc/11/66/57/821116657.db2.gz VVUCKBPPYLVNLJ-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP C[N@H+]1CC[C@@H](c2ccc(-c3ccn4cc[nH+]c4c3)cc2)C1 ZINC001240518953 821116661 /nfs/dbraw/zinc/11/66/61/821116661.db2.gz VVUCKBPPYLVNLJ-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP Cc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001240595915 821176889 /nfs/dbraw/zinc/17/68/89/821176889.db2.gz TWEIAJCCHDMNGB-SFHVURJKSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001240595915 821176895 /nfs/dbraw/zinc/17/68/95/821176895.db2.gz TWEIAJCCHDMNGB-SFHVURJKSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001240923468 821418341 /nfs/dbraw/zinc/41/83/41/821418341.db2.gz YHTRBFJPARVRNE-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001240923468 821418345 /nfs/dbraw/zinc/41/83/45/821418345.db2.gz YHTRBFJPARVRNE-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccc(OCC[NH+](C)C)c(F)c2)cc(C)[nH+]1 ZINC001241995427 822265044 /nfs/dbraw/zinc/26/50/44/822265044.db2.gz ITPJTBAYOBINIM-UHFFFAOYSA-N 2 2 288.366 3.445 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC001341392523 936436733 /nfs/dbraw/zinc/43/67/33/936436733.db2.gz JHDNISWLDJVYND-ZDUSSCGKSA-N 2 2 260.381 3.032 20 0 CGADLP Cc1cc([NH2+][C@H]2CCC23CCC3)ccc1N1CC[NH+](C)CC1 ZINC001349585764 936953285 /nfs/dbraw/zinc/95/32/85/936953285.db2.gz PRPHGYPTSFLSMI-SFHVURJKSA-N 2 2 299.462 3.491 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001350553295 936994676 /nfs/dbraw/zinc/99/46/76/936994676.db2.gz OPNQFFRAGJJWOI-SJORKVTESA-N 2 2 274.452 3.390 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC001560623497 937215537 /nfs/dbraw/zinc/21/55/37/937215537.db2.gz YYTSSELRCZUUOR-NVBFEUDRSA-N 2 2 299.245 3.423 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC001560623497 937215540 /nfs/dbraw/zinc/21/55/40/937215540.db2.gz YYTSSELRCZUUOR-NVBFEUDRSA-N 2 2 299.245 3.423 20 0 CGADLP C[NH+](C)CC[C@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC000149710925 937217252 /nfs/dbraw/zinc/21/72/52/937217252.db2.gz KMELVNHOBGQFJH-INIZCTEOSA-N 2 2 256.349 3.153 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(CC)n1 ZINC001458135116 937452697 /nfs/dbraw/zinc/45/26/97/937452697.db2.gz FLSJQBPGRBMDGC-OAHLLOKOSA-N 2 2 290.455 3.414 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(CC)n1 ZINC001458135116 937452699 /nfs/dbraw/zinc/45/26/99/937452699.db2.gz FLSJQBPGRBMDGC-OAHLLOKOSA-N 2 2 290.455 3.414 20 0 CGADLP Cc1cc(N[C@@H](CC(C)C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC001458407576 937461607 /nfs/dbraw/zinc/46/16/07/937461607.db2.gz OLFBWBGJAORCRW-HNNXBMFYSA-N 2 2 276.428 3.016 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163448597 932002837 /nfs/dbraw/zinc/00/28/37/932002837.db2.gz VSLLQIDAIXSWTB-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163448597 932002839 /nfs/dbraw/zinc/00/28/39/932002839.db2.gz VSLLQIDAIXSWTB-PWSUYJOCSA-N 2 2 287.234 3.410 20 0 CGADLP CCN(C)c1ccc(Nc2cccc(C[NH2+]C)c2)c[nH+]1 ZINC001211136893 932011736 /nfs/dbraw/zinc/01/17/36/932011736.db2.gz WNFJWAHLBDMJAC-UHFFFAOYSA-N 2 2 270.380 3.001 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001461037991 937561039 /nfs/dbraw/zinc/56/10/39/937561039.db2.gz DNPKLMSADDFYMM-JKSUJKDBSA-N 2 2 271.408 3.130 20 0 CGADLP Clc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC001461150176 937566352 /nfs/dbraw/zinc/56/63/52/937566352.db2.gz QEJUPVPVDSFZSE-UHFFFAOYSA-N 2 2 290.798 3.112 20 0 CGADLP CCCC1CCC([NH2+]C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001461260079 937573007 /nfs/dbraw/zinc/57/30/07/937573007.db2.gz BNBAIHJHDUZAMG-GPANFISMSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CCCC1 ZINC001462427589 937640048 /nfs/dbraw/zinc/64/00/48/937640048.db2.gz LDKJGXJJJXDQES-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001462444892 937642009 /nfs/dbraw/zinc/64/20/09/937642009.db2.gz QIODOCTUKODSGQ-OFQRWUPVSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001462444892 937642010 /nfs/dbraw/zinc/64/20/10/937642010.db2.gz QIODOCTUKODSGQ-OFQRWUPVSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1F ZINC001307524632 932965761 /nfs/dbraw/zinc/96/57/61/932965761.db2.gz XVUJXAXUJXKSSZ-CJNGLKHVSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC001307524632 932965763 /nfs/dbraw/zinc/96/57/63/932965763.db2.gz XVUJXAXUJXKSSZ-CJNGLKHVSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC001307524632 932965764 /nfs/dbraw/zinc/96/57/64/932965764.db2.gz XVUJXAXUJXKSSZ-CJNGLKHVSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1F ZINC001307524632 932965766 /nfs/dbraw/zinc/96/57/66/932965766.db2.gz XVUJXAXUJXKSSZ-CJNGLKHVSA-N 2 2 294.389 3.189 20 0 CGADLP CSc1ccccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001307978388 933028586 /nfs/dbraw/zinc/02/85/86/933028586.db2.gz OGLAUINOARYFMU-IAGOWNOFSA-N 2 2 290.476 3.182 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)c1 ZINC001308053191 933040946 /nfs/dbraw/zinc/04/09/46/933040946.db2.gz QKPLVGQPMSJQPP-ZWKOTPCHSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)c1 ZINC001308053191 933040951 /nfs/dbraw/zinc/04/09/51/933040951.db2.gz QKPLVGQPMSJQPP-ZWKOTPCHSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c(C)c1 ZINC001308053191 933040955 /nfs/dbraw/zinc/04/09/55/933040955.db2.gz QKPLVGQPMSJQPP-ZWKOTPCHSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c(C)c1 ZINC001308053191 933040959 /nfs/dbraw/zinc/04/09/59/933040959.db2.gz QKPLVGQPMSJQPP-ZWKOTPCHSA-N 2 2 272.436 3.280 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CCc2cc(Cl)ccc21 ZINC001308067828 933042359 /nfs/dbraw/zinc/04/23/59/933042359.db2.gz HKYXMPFHGVXBED-ZMSDIMECSA-N 2 2 290.838 3.496 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CCc2cc(Cl)ccc21 ZINC001308067828 933042367 /nfs/dbraw/zinc/04/23/67/933042367.db2.gz HKYXMPFHGVXBED-ZMSDIMECSA-N 2 2 290.838 3.496 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CCc2cc(Cl)ccc21 ZINC001308067828 933042373 /nfs/dbraw/zinc/04/23/73/933042373.db2.gz HKYXMPFHGVXBED-ZMSDIMECSA-N 2 2 290.838 3.496 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CCc2cc(Cl)ccc21 ZINC001308067828 933042379 /nfs/dbraw/zinc/04/23/79/933042379.db2.gz HKYXMPFHGVXBED-ZMSDIMECSA-N 2 2 290.838 3.496 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CCc2cc(Cl)ccc21 ZINC001308067827 933043485 /nfs/dbraw/zinc/04/34/85/933043485.db2.gz HKYXMPFHGVXBED-UXLLHSPISA-N 2 2 290.838 3.496 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1CCc2cc(Cl)ccc21 ZINC001308067827 933043489 /nfs/dbraw/zinc/04/34/89/933043489.db2.gz HKYXMPFHGVXBED-UXLLHSPISA-N 2 2 290.838 3.496 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CCc2cc(Cl)ccc21 ZINC001308067827 933043492 /nfs/dbraw/zinc/04/34/92/933043492.db2.gz HKYXMPFHGVXBED-UXLLHSPISA-N 2 2 290.838 3.496 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1CCc2cc(Cl)ccc21 ZINC001308067827 933043497 /nfs/dbraw/zinc/04/34/97/933043497.db2.gz HKYXMPFHGVXBED-UXLLHSPISA-N 2 2 290.838 3.496 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001308856912 933191448 /nfs/dbraw/zinc/19/14/48/933191448.db2.gz DDHCJSJNWLWLBN-CQSZACIVSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001308856912 933191455 /nfs/dbraw/zinc/19/14/55/933191455.db2.gz DDHCJSJNWLWLBN-CQSZACIVSA-N 2 2 298.833 3.484 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001322634358 934323626 /nfs/dbraw/zinc/32/36/26/934323626.db2.gz SVCQARJFGPEKEJ-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001322634358 934323637 /nfs/dbraw/zinc/32/36/37/934323637.db2.gz SVCQARJFGPEKEJ-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CC2(CO1)CCCCC2 ZINC001473557932 937811287 /nfs/dbraw/zinc/81/12/87/937811287.db2.gz KAMLEYSWMLQNNX-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC001325742069 934925576 /nfs/dbraw/zinc/92/55/76/934925576.db2.gz AOJQVQDGSIEFEZ-SMDDNHRTSA-N 2 2 268.351 3.244 20 0 CGADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001334797469 936115277 /nfs/dbraw/zinc/11/52/77/936115277.db2.gz DOHHLEIHRPTUOI-GXTWGEPZSA-N 2 2 267.442 3.180 20 0 CGADLP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@@H]21 ZINC001335283748 936136726 /nfs/dbraw/zinc/13/67/26/936136726.db2.gz RASBWRJMQISXGW-ZQNQSHIBSA-N 2 2 284.394 3.027 20 0 CGADLP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@@H]21 ZINC001335283748 936136727 /nfs/dbraw/zinc/13/67/27/936136727.db2.gz RASBWRJMQISXGW-ZQNQSHIBSA-N 2 2 284.394 3.027 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001473770495 937821455 /nfs/dbraw/zinc/82/14/55/937821455.db2.gz ZITSBVCIXCGJAT-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001473770495 937821456 /nfs/dbraw/zinc/82/14/56/937821456.db2.gz ZITSBVCIXCGJAT-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001473770495 937821458 /nfs/dbraw/zinc/82/14/58/937821458.db2.gz ZITSBVCIXCGJAT-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001473770495 937821460 /nfs/dbraw/zinc/82/14/60/937821460.db2.gz ZITSBVCIXCGJAT-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001473898429 937828651 /nfs/dbraw/zinc/82/86/51/937828651.db2.gz YAHOTXSKHRISSV-INIZCTEOSA-N 2 2 298.434 3.413 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001473898429 937828653 /nfs/dbraw/zinc/82/86/53/937828653.db2.gz YAHOTXSKHRISSV-INIZCTEOSA-N 2 2 298.434 3.413 20 0 CGADLP CC(C)CCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001474212120 937844517 /nfs/dbraw/zinc/84/45/17/937844517.db2.gz MNTBIGBMBQRERI-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001474212120 937844519 /nfs/dbraw/zinc/84/45/19/937844519.db2.gz MNTBIGBMBQRERI-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1Cl ZINC001474671647 937874123 /nfs/dbraw/zinc/87/41/23/937874123.db2.gz ZTDRETRKRDBMLP-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC001474671647 937874124 /nfs/dbraw/zinc/87/41/24/937874124.db2.gz ZTDRETRKRDBMLP-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1Cl ZINC001474671647 937874125 /nfs/dbraw/zinc/87/41/25/937874125.db2.gz ZTDRETRKRDBMLP-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1Cl ZINC001474671647 937874126 /nfs/dbraw/zinc/87/41/26/937874126.db2.gz ZTDRETRKRDBMLP-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001474739728 937877932 /nfs/dbraw/zinc/87/79/32/937877932.db2.gz BBUZNZMGWIEHHX-HRCADAONSA-N 2 2 284.488 3.144 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001474739732 937878132 /nfs/dbraw/zinc/87/81/32/937878132.db2.gz BBUZNZMGWIEHHX-XHSDSOJGSA-N 2 2 284.488 3.144 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001548830556 938152186 /nfs/dbraw/zinc/15/21/86/938152186.db2.gz OPBBZUISMPLCRC-SFHVURJKSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001548830556 938152187 /nfs/dbraw/zinc/15/21/87/938152187.db2.gz OPBBZUISMPLCRC-SFHVURJKSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001550621414 938168895 /nfs/dbraw/zinc/16/88/95/938168895.db2.gz JLSYPZYORPLZFW-DLBZAZTESA-N 2 2 295.430 3.330 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001550621414 938168896 /nfs/dbraw/zinc/16/88/96/938168896.db2.gz JLSYPZYORPLZFW-DLBZAZTESA-N 2 2 295.430 3.330 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551378250 938180588 /nfs/dbraw/zinc/18/05/88/938180588.db2.gz NSODDVRHVITMLS-FASAQXTFSA-N 2 2 296.414 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccc(OC)cc1 ZINC001551378609 938180634 /nfs/dbraw/zinc/18/06/34/938180634.db2.gz RFCQUEOWWPLIHS-FHWLQOOXSA-N 2 2 296.414 3.361 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001560248592 938249159 /nfs/dbraw/zinc/24/91/59/938249159.db2.gz YQZQOBWIARNZMU-UHFFFAOYSA-N 2 2 298.858 3.416 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC001560262805 938249791 /nfs/dbraw/zinc/24/97/91/938249791.db2.gz PFSRCXKHSJTISX-RTRPANQVSA-N 2 2 283.419 3.500 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccccc1F)[NH+]1CCCCC1 ZINC001560436526 938258360 /nfs/dbraw/zinc/25/83/60/938258360.db2.gz INEJGHITTCGZTF-AWEZNQCLSA-N 2 2 264.388 3.180 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC001560549788 938262714 /nfs/dbraw/zinc/26/27/14/938262714.db2.gz RKTQCMRWLJRJPQ-FZMUQLTDSA-N 2 2 272.436 3.309 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC001560549788 938262715 /nfs/dbraw/zinc/26/27/15/938262715.db2.gz RKTQCMRWLJRJPQ-FZMUQLTDSA-N 2 2 272.436 3.309 20 0 CGADLP c1coc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001560569313 938263466 /nfs/dbraw/zinc/26/34/66/938263466.db2.gz RIUBUZMKXDQMKZ-MRXNPFEDSA-N 2 2 267.332 3.007 20 0 CGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC(C)C ZINC001560934624 938284898 /nfs/dbraw/zinc/28/48/98/938284898.db2.gz VYDFMKYOUCPXBZ-SJORKVTESA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC(C)C ZINC001560934624 938284899 /nfs/dbraw/zinc/28/48/99/938284899.db2.gz VYDFMKYOUCPXBZ-SJORKVTESA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001576157418 960475471 /nfs/dbraw/zinc/47/54/71/960475471.db2.gz QIUXVZGDFMSFFD-YPMHNXCESA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccc2Cl)C1(C)C ZINC001576157418 960475478 /nfs/dbraw/zinc/47/54/78/960475478.db2.gz QIUXVZGDFMSFFD-YPMHNXCESA-N 2 2 266.816 3.255 20 0 CGADLP CC(C)([NH3+])C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC001575354507 962368128 /nfs/dbraw/zinc/36/81/28/962368128.db2.gz WBDCASIYNNYQNV-UHFFFAOYSA-N 2 2 262.372 3.042 20 0 CGADLP CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)CC(C)(C)C[NH3+] ZINC001577742551 962563902 /nfs/dbraw/zinc/56/39/02/962563902.db2.gz BJWJUAGXTMJVQK-GFCCVEGCSA-N 2 2 295.496 3.075 20 0 CGADLP CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)CC(C)(C)C[NH3+] ZINC001577742551 962563908 /nfs/dbraw/zinc/56/39/08/962563908.db2.gz BJWJUAGXTMJVQK-GFCCVEGCSA-N 2 2 295.496 3.075 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCC12CC2 ZINC001578275140 962580652 /nfs/dbraw/zinc/58/06/52/962580652.db2.gz AUIFFECGJXKGDF-HOTGVXAUSA-N 2 2 258.409 3.171 20 0 CGADLP Cc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1Br ZINC001579760992 962668140 /nfs/dbraw/zinc/66/81/40/962668140.db2.gz SBBQUCFNXRMROE-UHFFFAOYSA-N 2 2 297.240 3.119 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC23CCC3)[nH+]1 ZINC000337415946 214067365 /nfs/dbraw/zinc/06/73/65/214067365.db2.gz YZYBICCRMBKSOO-KRWDZBQOSA-N 2 2 295.430 3.396 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337418367 214069100 /nfs/dbraw/zinc/06/91/00/214069100.db2.gz DVDWMCHFNIXTSG-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337418367 214069102 /nfs/dbraw/zinc/06/91/02/214069102.db2.gz DVDWMCHFNIXTSG-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP Clc1cncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000621260297 349484820 /nfs/dbraw/zinc/48/48/20/349484820.db2.gz ZVPMTRCSADTIHK-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000621260297 349484824 /nfs/dbraw/zinc/48/48/24/349484824.db2.gz ZVPMTRCSADTIHK-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP CC(C)C(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000229533167 260131955 /nfs/dbraw/zinc/13/19/55/260131955.db2.gz HBIGBOBBHCVKLU-UONOGXRCSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)C(C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000229533167 260131957 /nfs/dbraw/zinc/13/19/57/260131957.db2.gz HBIGBOBBHCVKLU-UONOGXRCSA-N 2 2 252.446 3.129 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000124529604 187141940 /nfs/dbraw/zinc/14/19/40/187141940.db2.gz RSAHBIHZIYFUIC-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000124529604 187141941 /nfs/dbraw/zinc/14/19/41/187141941.db2.gz RSAHBIHZIYFUIC-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000337503864 214125378 /nfs/dbraw/zinc/12/53/78/214125378.db2.gz GGUPLEKJERLYDO-PKOBYXMFSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000337503864 214125380 /nfs/dbraw/zinc/12/53/80/214125380.db2.gz GGUPLEKJERLYDO-PKOBYXMFSA-N 2 2 296.414 3.032 20 0 CGADLP O=C(CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000294957903 199271127 /nfs/dbraw/zinc/27/11/27/199271127.db2.gz NBNSDTVWIKWVAK-INIZCTEOSA-N 2 2 297.402 3.252 20 0 CGADLP O=C(CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000294957903 199271129 /nfs/dbraw/zinc/27/11/29/199271129.db2.gz NBNSDTVWIKWVAK-INIZCTEOSA-N 2 2 297.402 3.252 20 0 CGADLP C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651675910 398267375 /nfs/dbraw/zinc/26/73/75/398267375.db2.gz IGHCWCHGZNOWEE-HOCLYGCPSA-N 2 2 275.440 3.320 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337986535 214343977 /nfs/dbraw/zinc/34/39/77/214343977.db2.gz NZRCKYCPQFCQHW-JKSUJKDBSA-N 2 2 270.436 3.226 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000651977709 398314878 /nfs/dbraw/zinc/31/48/78/398314878.db2.gz XXVKQELBGVYXHO-AWEZNQCLSA-N 2 2 269.392 3.065 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000651977709 398314880 /nfs/dbraw/zinc/31/48/80/398314880.db2.gz XXVKQELBGVYXHO-AWEZNQCLSA-N 2 2 269.392 3.065 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@]3(CC3(F)F)C2)c[nH+]1 ZINC000652063501 398321882 /nfs/dbraw/zinc/32/18/82/398321882.db2.gz NTYAEVDBJURVAV-AWEZNQCLSA-N 2 2 266.335 3.054 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@]3(CC3(F)F)C2)c[nH+]1 ZINC000652063501 398321883 /nfs/dbraw/zinc/32/18/83/398321883.db2.gz NTYAEVDBJURVAV-AWEZNQCLSA-N 2 2 266.335 3.054 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)C[NH+](C)C ZINC000652200846 398327378 /nfs/dbraw/zinc/32/73/78/398327378.db2.gz MDZUIXXNQNPBER-MFKMUULPSA-N 2 2 284.806 3.254 20 0 CGADLP Clc1ccccc1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081905 346899511 /nfs/dbraw/zinc/89/95/11/346899511.db2.gz BITMHIHXCZAELL-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccccc1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081905 346899515 /nfs/dbraw/zinc/89/95/15/346899515.db2.gz BITMHIHXCZAELL-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP Cc1nc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000186417218 282191042 /nfs/dbraw/zinc/19/10/42/282191042.db2.gz LLHKBXVYMKLVFJ-KRWDZBQOSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000186417218 282191045 /nfs/dbraw/zinc/19/10/45/282191045.db2.gz LLHKBXVYMKLVFJ-KRWDZBQOSA-N 2 2 296.418 3.108 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000423482063 529567714 /nfs/dbraw/zinc/56/77/14/529567714.db2.gz XDEQIUWEGBTENR-YPMHNXCESA-N 2 2 270.804 3.127 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000423461039 529567915 /nfs/dbraw/zinc/56/79/15/529567915.db2.gz JGANNCBICQEIGK-WCBMZHEXSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414065141 529596507 /nfs/dbraw/zinc/59/65/07/529596507.db2.gz FOMOBWRMHYNWOE-KFWWJZLASA-N 2 2 261.413 3.298 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000623088866 349758649 /nfs/dbraw/zinc/75/86/49/349758649.db2.gz IODLEGLFXIPCIB-UHFFFAOYSA-N 2 2 274.399 3.133 20 0 CGADLP Cc1ccsc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088853 349758861 /nfs/dbraw/zinc/75/88/61/349758861.db2.gz HWQWARGGKDCEAX-UHFFFAOYSA-N 2 2 288.407 3.123 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@H]1C ZINC000623089522 349758908 /nfs/dbraw/zinc/75/89/08/349758908.db2.gz LAAJKBZPUAFAAB-NFAWXSAZSA-N 2 2 288.426 3.378 20 0 CGADLP CCc1ccc[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000358374102 529621876 /nfs/dbraw/zinc/62/18/76/529621876.db2.gz DVHHTDDJCWDFLX-UHFFFAOYSA-N 2 2 284.407 3.496 20 0 CGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423439800 529622406 /nfs/dbraw/zinc/62/24/06/529622406.db2.gz VMMBQLOJZHGQAE-HOTGVXAUSA-N 2 2 296.842 3.149 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414124224 529630349 /nfs/dbraw/zinc/63/03/49/529630349.db2.gz PGQCYYJRKFAFTA-XYPHTWIQSA-N 2 2 269.392 3.397 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423519087 529612184 /nfs/dbraw/zinc/61/21/84/529612184.db2.gz ZUSFZOHPHHQAQF-UGSOOPFHSA-N 2 2 284.403 3.305 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423513067 529616872 /nfs/dbraw/zinc/61/68/72/529616872.db2.gz UZTMUCFHECXQDC-KBAYOESNSA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000414066171 529632113 /nfs/dbraw/zinc/63/21/13/529632113.db2.gz PILYAOOPLAGZHK-QGTPRVQTSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC12CCC2 ZINC000423502559 529617626 /nfs/dbraw/zinc/61/76/26/529617626.db2.gz MBQPXRHLEIBZAA-CVEARBPZSA-N 2 2 258.409 3.171 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000423355208 529661708 /nfs/dbraw/zinc/66/17/08/529661708.db2.gz FAHALWKIOCQJTN-TUKIKUTGSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccs2)cn1 ZINC000126337827 187233943 /nfs/dbraw/zinc/23/39/43/187233943.db2.gz ULSOSOREEJTLIC-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623410498 349801597 /nfs/dbraw/zinc/80/15/97/349801597.db2.gz QQEGJYSOHZHFLG-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623410498 349801599 /nfs/dbraw/zinc/80/15/99/349801599.db2.gz QQEGJYSOHZHFLG-CQSZACIVSA-N 2 2 296.842 3.311 20 0 CGADLP Cc1csc([C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431366 349808084 /nfs/dbraw/zinc/80/80/84/349808084.db2.gz BZWRMEOJJBMISE-KGLIPLIRSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1csc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431366 349808087 /nfs/dbraw/zinc/80/80/87/349808087.db2.gz BZWRMEOJJBMISE-KGLIPLIRSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1nc(C)c(C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000351230034 219084924 /nfs/dbraw/zinc/08/49/24/219084924.db2.gz RRQDSMOEWJHTAI-UHFFFAOYSA-N 2 2 275.421 3.186 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c[nH+]1 ZINC000591866890 346943056 /nfs/dbraw/zinc/94/30/56/346943056.db2.gz INXVUKLPRIQMMU-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c[nH+]1 ZINC000591866890 346943057 /nfs/dbraw/zinc/94/30/57/346943057.db2.gz INXVUKLPRIQMMU-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000423252574 529728817 /nfs/dbraw/zinc/72/88/17/529728817.db2.gz XRBMSEYWQSCIJZ-BXUZGUMPSA-N 2 2 289.448 3.365 20 0 CGADLP FC(F)(F)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000623787967 349884293 /nfs/dbraw/zinc/88/42/93/349884293.db2.gz JAVYAHPZQDYPDJ-UHFFFAOYSA-N 2 2 287.329 3.042 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000623885839 349905104 /nfs/dbraw/zinc/90/51/04/349905104.db2.gz KDGJBIRBCGIKPZ-ZDUSSCGKSA-N 2 2 290.436 3.389 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000623895515 349907730 /nfs/dbraw/zinc/90/77/30/349907730.db2.gz SQOMXLHWSGNCBE-QWHCGFSZSA-N 2 2 283.485 3.469 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000423226875 529978641 /nfs/dbraw/zinc/97/86/41/529978641.db2.gz SQFXDUIMPNGKRC-SFHVURJKSA-N 2 2 268.404 3.170 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423227515 529978956 /nfs/dbraw/zinc/97/89/56/529978956.db2.gz WCQWJUARKFJKOP-CYBMUJFWSA-N 2 2 273.207 3.254 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672449 344964998 /nfs/dbraw/zinc/96/49/98/344964998.db2.gz JQIHCEQRMGSEFC-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672449 344964999 /nfs/dbraw/zinc/96/49/99/344964999.db2.gz JQIHCEQRMGSEFC-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CSCCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000131492498 232192772 /nfs/dbraw/zinc/19/27/72/232192772.db2.gz OFOJWVDIXXHRHY-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CSCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000131492498 232192774 /nfs/dbraw/zinc/19/27/74/232192774.db2.gz OFOJWVDIXXHRHY-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC000077655338 345581356 /nfs/dbraw/zinc/58/13/56/345581356.db2.gz NOWIWUFMLYXLMV-CQSZACIVSA-N 2 2 292.389 3.383 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(F)(F)F)C2)CC1 ZINC000077655338 345581355 /nfs/dbraw/zinc/58/13/55/345581355.db2.gz NOWIWUFMLYXLMV-CQSZACIVSA-N 2 2 292.389 3.383 20 0 CGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2cn1 ZINC000085688754 345747633 /nfs/dbraw/zinc/74/76/33/345747633.db2.gz QDZQWPRMBPFHEG-HNNXBMFYSA-N 2 2 296.418 3.306 20 0 CGADLP c1cc2[nH+]ccc(N[C@H]3CC[N@H+](CC4CCCC4)C3)c2cn1 ZINC000085688754 345747637 /nfs/dbraw/zinc/74/76/37/345747637.db2.gz QDZQWPRMBPFHEG-HNNXBMFYSA-N 2 2 296.418 3.306 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091405591 345812642 /nfs/dbraw/zinc/81/26/42/345812642.db2.gz SGWNMCKWXIBHAP-CQSZACIVSA-N 2 2 294.402 3.170 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091405574 345812727 /nfs/dbraw/zinc/81/27/27/345812727.db2.gz YGBHCUSVQQNCFC-QGZVFWFLSA-N 2 2 269.392 3.314 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865927 345891062 /nfs/dbraw/zinc/89/10/62/345891062.db2.gz AQRLPHOJGADEJZ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865927 345891064 /nfs/dbraw/zinc/89/10/64/345891064.db2.gz AQRLPHOJGADEJZ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000110978827 345947912 /nfs/dbraw/zinc/94/79/12/345947912.db2.gz AQGKYQIJXIOWKP-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000110978827 345947914 /nfs/dbraw/zinc/94/79/14/345947914.db2.gz AQGKYQIJXIOWKP-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000624001771 349942441 /nfs/dbraw/zinc/94/24/41/349942441.db2.gz LJAWTKCGBPZYAL-INIZCTEOSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309873028 346470537 /nfs/dbraw/zinc/47/05/37/346470537.db2.gz HGOCNVKELNVTCN-KRWDZBQOSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000309873028 346470541 /nfs/dbraw/zinc/47/05/41/346470541.db2.gz HGOCNVKELNVTCN-KRWDZBQOSA-N 2 2 296.418 3.109 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000312865456 346478516 /nfs/dbraw/zinc/47/85/16/346478516.db2.gz ZDLBINLWZLOJLS-RRFJBIMHSA-N 2 2 269.392 3.123 20 0 CGADLP COc1cccc2c1cc[nH+]c2NCCCCn1cc[nH+]c1 ZINC000320009118 346487793 /nfs/dbraw/zinc/48/77/93/346487793.db2.gz FICDUERHFVVNDQ-UHFFFAOYSA-N 2 2 296.374 3.332 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000584588179 346685889 /nfs/dbraw/zinc/68/58/89/346685889.db2.gz UPASOAXGDUVWJO-PBHICJAKSA-N 2 2 282.387 3.087 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000588178217 346755499 /nfs/dbraw/zinc/75/54/99/346755499.db2.gz ZHJAFOOVYFXNEL-DTQAZKPQSA-N 2 2 269.392 3.356 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CSCCF ZINC000595002949 347253467 /nfs/dbraw/zinc/25/34/67/347253467.db2.gz CIFNHPGWGCRILB-GFCCVEGCSA-N 2 2 295.427 3.026 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000595019635 347259611 /nfs/dbraw/zinc/25/96/11/347259611.db2.gz SGGMJXOBZNHOHZ-HUUCEWRRSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000595019635 347259612 /nfs/dbraw/zinc/25/96/12/347259612.db2.gz SGGMJXOBZNHOHZ-HUUCEWRRSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188591 349996388 /nfs/dbraw/zinc/99/63/88/349996388.db2.gz XRYOSXSCAAKBLO-DGCLKSJQSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188591 349996391 /nfs/dbraw/zinc/99/63/91/349996391.db2.gz XRYOSXSCAAKBLO-DGCLKSJQSA-N 2 2 278.362 3.324 20 0 CGADLP c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000613421495 348599992 /nfs/dbraw/zinc/59/99/92/348599992.db2.gz TWGLULCRYPEMNJ-UHFFFAOYSA-N 2 2 293.480 3.231 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157408 137878877 /nfs/dbraw/zinc/87/88/77/137878877.db2.gz VFZRNZYKVLISBQ-OLZOCXBDSA-N 2 2 275.421 3.344 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)[nH]1 ZINC000271218651 191009162 /nfs/dbraw/zinc/00/91/62/191009162.db2.gz ZCBDDPZUAWPRTC-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CCC[C@H](C)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000625272665 350150718 /nfs/dbraw/zinc/15/07/18/350150718.db2.gz HGLPMRGIRRLQJC-HNNXBMFYSA-N 2 2 251.418 3.421 20 0 CGADLP CCC[C@H](C)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000625272665 350150722 /nfs/dbraw/zinc/15/07/22/350150722.db2.gz HGLPMRGIRRLQJC-HNNXBMFYSA-N 2 2 251.418 3.421 20 0 CGADLP Clc1cccc(CCCC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434461 350171182 /nfs/dbraw/zinc/17/11/82/350171182.db2.gz VSQVPHNJFWGNLZ-UHFFFAOYSA-N 2 2 289.810 3.444 20 0 CGADLP C[C@H](C[NH2+]Cc1ccsc1Cl)Cn1cc[nH+]c1 ZINC000359747902 233371751 /nfs/dbraw/zinc/37/17/51/233371751.db2.gz PFTSVTFFVFBJHB-SNVBAGLBSA-N 2 2 269.801 3.024 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359733 290263407 /nfs/dbraw/zinc/26/34/07/290263407.db2.gz KLCHCGPEDSEMON-OLZOCXBDSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246359733 290263403 /nfs/dbraw/zinc/26/34/03/290263403.db2.gz KLCHCGPEDSEMON-OLZOCXBDSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000628214430 350444680 /nfs/dbraw/zinc/44/46/80/350444680.db2.gz XHIRIJCDPIKZMQ-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@]2(CO)CCCC(C)(C)C2)c[nH+]1 ZINC000628429318 350537462 /nfs/dbraw/zinc/53/74/62/350537462.db2.gz LIJMIWSVUYQWQK-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000128112594 535149519 /nfs/dbraw/zinc/14/95/19/535149519.db2.gz SWWZSPGIDVTPPG-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000128112594 535149525 /nfs/dbraw/zinc/14/95/25/535149525.db2.gz SWWZSPGIDVTPPG-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000629526239 350702223 /nfs/dbraw/zinc/70/22/23/350702223.db2.gz NZIJXTXOHWBLEG-WCFLWFBJSA-N 2 2 281.469 3.366 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000629527287 350703063 /nfs/dbraw/zinc/70/30/63/350703063.db2.gz QNUIBAKXASAEEO-LZWOXQAQSA-N 2 2 262.397 3.159 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000629527661 350703065 /nfs/dbraw/zinc/70/30/65/350703065.db2.gz BNVXRDVNDBAATR-UAGQMJEPSA-N 2 2 283.419 3.275 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629540326 350706929 /nfs/dbraw/zinc/70/69/29/350706929.db2.gz WFELJZJFDMZLJT-CQDKDKBSSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C[NH2+]1 ZINC000629541796 350707706 /nfs/dbraw/zinc/70/77/06/350707706.db2.gz WGSMDKFROASZRX-XJKCOSOUSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C[NH2+]1 ZINC000629542163 350707920 /nfs/dbraw/zinc/70/79/20/350707920.db2.gz ZOSAHLJEPOKSPF-DGFSRKRXSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cc(C)ccc1OC ZINC000629543213 350708343 /nfs/dbraw/zinc/70/83/43/350708343.db2.gz VSVWEQDIEDVTHW-LZWOXQAQSA-N 2 2 276.424 3.185 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629543352 350708608 /nfs/dbraw/zinc/70/86/08/350708608.db2.gz YYVSBLPSWIQLLW-JQFCIGGWSA-N 2 2 258.409 3.176 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545246 350709295 /nfs/dbraw/zinc/70/92/95/350709295.db2.gz AUCUWTRDIILAHA-MROQNXINSA-N 2 2 289.448 3.128 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000629555547 350712707 /nfs/dbraw/zinc/71/27/07/350712707.db2.gz WWBKISJFYHUZAG-BXUZGUMPSA-N 2 2 286.341 3.022 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629397273 350688423 /nfs/dbraw/zinc/68/84/23/350688423.db2.gz YBQKXZZDBUVQIF-QWHCGFSZSA-N 2 2 272.392 3.225 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)C[NH2+]1 ZINC000629411074 350690198 /nfs/dbraw/zinc/69/01/98/350690198.db2.gz HOCHWOKZDVCJCY-AAEUAGOBSA-N 2 2 279.453 3.031 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000629523235 350701423 /nfs/dbraw/zinc/70/14/23/350701423.db2.gz CCEOUQXBZPJMFJ-DDTOSNHZSA-N 2 2 252.789 3.131 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000629526981 350701946 /nfs/dbraw/zinc/70/19/46/350701946.db2.gz GVKLCICBYVNUNY-RRFJBIMHSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH3+])c1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000629708891 350747691 /nfs/dbraw/zinc/74/76/91/350747691.db2.gz DLPFDSZCYBZZQU-CYBMUJFWSA-N 2 2 267.376 3.369 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1F ZINC000271406969 191120432 /nfs/dbraw/zinc/12/04/32/191120432.db2.gz ACWUVDAASXPJPP-AVGNSLFASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1F ZINC000271406969 191120434 /nfs/dbraw/zinc/12/04/34/191120434.db2.gz ACWUVDAASXPJPP-AVGNSLFASA-N 2 2 280.362 3.242 20 0 CGADLP COC1(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CCCC1 ZINC000629647609 350729748 /nfs/dbraw/zinc/72/97/48/350729748.db2.gz BJQYTLKIVSKJEQ-KRWDZBQOSA-N 2 2 290.451 3.359 20 0 CGADLP C[NH+](C)Cc1ccc(-c2c[nH+]c3n2CCCC3)cc1F ZINC000630050982 350800831 /nfs/dbraw/zinc/80/08/31/350800831.db2.gz LQXXTJROJWYBJI-UHFFFAOYSA-N 2 2 273.355 3.087 20 0 CGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)cc1 ZINC000631195083 350987389 /nfs/dbraw/zinc/98/73/89/350987389.db2.gz SNWBDPJNSLOOHT-MRXNPFEDSA-N 2 2 275.371 3.283 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631587523 351080506 /nfs/dbraw/zinc/08/05/06/351080506.db2.gz SJZRYTVQYBRNOT-INIZCTEOSA-N 2 2 275.440 3.305 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823186 351148913 /nfs/dbraw/zinc/14/89/13/351148913.db2.gz YATXIYCTKUIBDS-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823186 351148916 /nfs/dbraw/zinc/14/89/16/351148916.db2.gz YATXIYCTKUIBDS-RKDXNWHRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@@H+]1C ZINC000123120102 187071877 /nfs/dbraw/zinc/07/18/77/187071877.db2.gz ZWLSYPYVTPPFSU-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@H+]1C ZINC000123120102 187071878 /nfs/dbraw/zinc/07/18/78/187071878.db2.gz ZWLSYPYVTPPFSU-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120102 187071879 /nfs/dbraw/zinc/07/18/79/187071879.db2.gz ZWLSYPYVTPPFSU-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120102 187071880 /nfs/dbraw/zinc/07/18/80/187071880.db2.gz ZWLSYPYVTPPFSU-GXTWGEPZSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@@H+]1C ZINC000123120560 187072138 /nfs/dbraw/zinc/07/21/38/187072138.db2.gz ZWLSYPYVTPPFSU-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@H+]1C ZINC000123120560 187072139 /nfs/dbraw/zinc/07/21/39/187072139.db2.gz ZWLSYPYVTPPFSU-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120560 187072140 /nfs/dbraw/zinc/07/21/40/187072140.db2.gz ZWLSYPYVTPPFSU-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120560 187072141 /nfs/dbraw/zinc/07/21/41/187072141.db2.gz ZWLSYPYVTPPFSU-JSGCOSHPSA-N 2 2 298.377 3.203 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123244478 187080205 /nfs/dbraw/zinc/08/02/05/187080205.db2.gz UTASROUUZJPNIB-DLBZAZTESA-N 2 2 284.403 3.458 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123244478 187080206 /nfs/dbraw/zinc/08/02/06/187080206.db2.gz UTASROUUZJPNIB-DLBZAZTESA-N 2 2 284.403 3.458 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000123550309 187097835 /nfs/dbraw/zinc/09/78/35/187097835.db2.gz VYJGZKULDUPPBI-JSGCOSHPSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000123550309 187097836 /nfs/dbraw/zinc/09/78/36/187097836.db2.gz VYJGZKULDUPPBI-JSGCOSHPSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123550309 187097837 /nfs/dbraw/zinc/09/78/37/187097837.db2.gz VYJGZKULDUPPBI-JSGCOSHPSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123550309 187097838 /nfs/dbraw/zinc/09/78/38/187097838.db2.gz VYJGZKULDUPPBI-JSGCOSHPSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000352273751 219388207 /nfs/dbraw/zinc/38/82/07/219388207.db2.gz PZUOYOARFLFRHE-HOTGVXAUSA-N 2 2 290.451 3.033 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365649467 234120575 /nfs/dbraw/zinc/12/05/75/234120575.db2.gz NPOIPVFJRLGLTP-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365649467 234120577 /nfs/dbraw/zinc/12/05/77/234120577.db2.gz NPOIPVFJRLGLTP-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365649466 234120688 /nfs/dbraw/zinc/12/06/88/234120688.db2.gz NPOIPVFJRLGLTP-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365649466 234120690 /nfs/dbraw/zinc/12/06/90/234120690.db2.gz NPOIPVFJRLGLTP-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(F)(F)F ZINC000271597839 191233393 /nfs/dbraw/zinc/23/33/93/191233393.db2.gz SPYLMAKHVMLVKX-UHFFFAOYSA-N 2 2 288.357 3.439 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(F)(F)F ZINC000271597839 191233395 /nfs/dbraw/zinc/23/33/95/191233395.db2.gz SPYLMAKHVMLVKX-UHFFFAOYSA-N 2 2 288.357 3.439 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)o1 ZINC000367440081 234215167 /nfs/dbraw/zinc/21/51/67/234215167.db2.gz ZJQJMTGAMGCCJL-LBPRGKRZSA-N 2 2 273.380 3.280 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCCC23CCCC3)c[nH+]1 ZINC000367756718 234249400 /nfs/dbraw/zinc/24/94/00/234249400.db2.gz HQEAVGSPSPXLFH-HNNXBMFYSA-N 2 2 261.413 3.366 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098278 234280897 /nfs/dbraw/zinc/28/08/97/234280897.db2.gz BILSYPHNCGPYTC-FTLABTOESA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098278 234280902 /nfs/dbraw/zinc/28/09/02/234280902.db2.gz BILSYPHNCGPYTC-FTLABTOESA-N 2 2 299.393 3.319 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154561630 188150776 /nfs/dbraw/zinc/15/07/76/188150776.db2.gz ZGQVMIYZWMWKLM-RYUDHWBXSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000154561630 188150777 /nfs/dbraw/zinc/15/07/77/188150777.db2.gz ZGQVMIYZWMWKLM-RYUDHWBXSA-N 2 2 284.350 3.033 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154602625 188152738 /nfs/dbraw/zinc/15/27/38/188152738.db2.gz PJRWSPFGXBOCJT-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154602625 188152739 /nfs/dbraw/zinc/15/27/39/188152739.db2.gz PJRWSPFGXBOCJT-ZBFHGGJFSA-N 2 2 276.424 3.219 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000295165828 199383660 /nfs/dbraw/zinc/38/36/60/199383660.db2.gz SSHWUVWXLWPYNS-IAGOWNOFSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000295165828 199383662 /nfs/dbraw/zinc/38/36/62/199383662.db2.gz SSHWUVWXLWPYNS-IAGOWNOFSA-N 2 2 288.410 3.420 20 0 CGADLP CCCC[N@H+](C)CC1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000515097890 535217500 /nfs/dbraw/zinc/21/75/00/535217500.db2.gz VMQIRTAVUZEMCG-UHFFFAOYSA-N 2 2 290.455 3.042 20 0 CGADLP CCCC[N@@H+](C)CC1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000515097890 535217504 /nfs/dbraw/zinc/21/75/04/535217504.db2.gz VMQIRTAVUZEMCG-UHFFFAOYSA-N 2 2 290.455 3.042 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000369540523 234383601 /nfs/dbraw/zinc/38/36/01/234383601.db2.gz JLKDPXZJULTXCC-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CC[N@@H+]1C ZINC000157709582 188333141 /nfs/dbraw/zinc/33/31/41/188333141.db2.gz XCXHRCDHKAUMTF-OCCSQVGLSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CC[N@H+]1C ZINC000157709582 188333142 /nfs/dbraw/zinc/33/31/42/188333142.db2.gz XCXHRCDHKAUMTF-OCCSQVGLSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)[N@H+](Cc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000271790261 191328826 /nfs/dbraw/zinc/32/88/26/191328826.db2.gz IXPYRSSBHNERLO-UHFFFAOYSA-N 2 2 269.348 3.338 20 0 CGADLP CC(C)[N@@H+](Cc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000271790261 191328827 /nfs/dbraw/zinc/32/88/27/191328827.db2.gz IXPYRSSBHNERLO-UHFFFAOYSA-N 2 2 269.348 3.338 20 0 CGADLP c1c[nH+]c(COCc2cccc(C[NH+]3CCCCC3)c2)[nH]1 ZINC000412996533 235237696 /nfs/dbraw/zinc/23/76/96/235237696.db2.gz FJZNTYKQZBFUMQ-UHFFFAOYSA-N 2 2 285.391 3.112 20 0 CGADLP Cc1occc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000414358103 235395736 /nfs/dbraw/zinc/39/57/36/235395736.db2.gz LCNRVBVZPKOFHH-UHFFFAOYSA-N 2 2 283.375 3.197 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000459457977 283132432 /nfs/dbraw/zinc/13/24/32/283132432.db2.gz QQPKNZBBOHSFHZ-IRXDYDNUSA-N 2 2 270.420 3.354 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000459457977 283132436 /nfs/dbraw/zinc/13/24/36/283132436.db2.gz QQPKNZBBOHSFHZ-IRXDYDNUSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@@H+]1C1CC1 ZINC000310870250 291082697 /nfs/dbraw/zinc/08/26/97/291082697.db2.gz PQLLJRPKIKSNBL-QWHCGFSZSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@H+]1C1CC1 ZINC000310870250 291082699 /nfs/dbraw/zinc/08/26/99/291082699.db2.gz PQLLJRPKIKSNBL-QWHCGFSZSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@@H+]1C1CC1 ZINC000308768304 291082892 /nfs/dbraw/zinc/08/28/92/291082892.db2.gz IFLHKOLPYIVPGD-DZGCQCFKSA-N 2 2 262.441 3.338 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@H+]1C1CC1 ZINC000308768304 291082893 /nfs/dbraw/zinc/08/28/93/291082893.db2.gz IFLHKOLPYIVPGD-DZGCQCFKSA-N 2 2 262.441 3.338 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414842758 235479069 /nfs/dbraw/zinc/47/90/69/235479069.db2.gz ZCXVYDGKCXRIPV-CRAIPNDOSA-N 2 2 268.404 3.216 20 0 CGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000104827868 138350745 /nfs/dbraw/zinc/35/07/45/138350745.db2.gz OWQFINVCGCYNDT-KRWDZBQOSA-N 2 2 297.402 3.412 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123533491 138367908 /nfs/dbraw/zinc/36/79/08/138367908.db2.gz BUFVZHZLTZHGEQ-INIZCTEOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123533491 138367909 /nfs/dbraw/zinc/36/79/09/138367909.db2.gz BUFVZHZLTZHGEQ-INIZCTEOSA-N 2 2 283.419 3.183 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000123583482 138368648 /nfs/dbraw/zinc/36/86/48/138368648.db2.gz LJAYHOIEVXUFDP-GOSISDBHSA-N 2 2 297.446 3.307 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000123583482 138368649 /nfs/dbraw/zinc/36/86/49/138368649.db2.gz LJAYHOIEVXUFDP-GOSISDBHSA-N 2 2 297.446 3.307 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000336313810 213157739 /nfs/dbraw/zinc/15/77/39/213157739.db2.gz RQAIIFWUTRCHTR-ZDUSSCGKSA-N 2 2 296.201 3.295 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000422698794 235905553 /nfs/dbraw/zinc/90/55/53/235905553.db2.gz BALJWSYWENWWFX-GUYCJALGSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423063578 235966546 /nfs/dbraw/zinc/96/65/46/235966546.db2.gz PGAXWDQCSZLYIF-UBHSHLNASA-N 2 2 286.341 3.063 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239412 236006705 /nfs/dbraw/zinc/00/67/05/236006705.db2.gz JZOXYIWGYQXGKW-ROUUACIJSA-N 2 2 266.388 3.272 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000423244774 236006994 /nfs/dbraw/zinc/00/69/94/236006994.db2.gz NYZZARFRJUANKS-IRXDYDNUSA-N 2 2 270.351 3.103 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247651 236008068 /nfs/dbraw/zinc/00/80/68/236008068.db2.gz QQLPEESMTMOEDB-PBHICJAKSA-N 2 2 254.377 3.346 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)c1ccccc1 ZINC000423254185 236009424 /nfs/dbraw/zinc/00/94/24/236009424.db2.gz XLDHCWNOQUGMSP-ZWKOTPCHSA-N 2 2 281.403 3.212 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423269083 236015301 /nfs/dbraw/zinc/01/53/01/236015301.db2.gz GZYRXCLBZZENDU-JSGCOSHPSA-N 2 2 260.381 3.375 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423275948 236018338 /nfs/dbraw/zinc/01/83/38/236018338.db2.gz MJQJQWWYXSIDQU-FZMZJTMJSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423316228 236036044 /nfs/dbraw/zinc/03/60/44/236036044.db2.gz ATZWJCBPLQVZFR-RKDXNWHRSA-N 2 2 297.196 3.193 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H](C)C[NH3+])c2cccc(F)c2)c1 ZINC000423320874 236038480 /nfs/dbraw/zinc/03/84/80/236038480.db2.gz GXJHQZOCNNJPNC-DYVFJYSZSA-N 2 2 272.367 3.160 20 0 CGADLP Cc1cccc([C@H]([NH2+]CC2C[NH2+]C2)c2cccc(F)c2)c1 ZINC000423325063 236039347 /nfs/dbraw/zinc/03/93/47/236039347.db2.gz PXWSWFCJCUMOJW-SFHVURJKSA-N 2 2 284.378 3.033 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423326881 236039853 /nfs/dbraw/zinc/03/98/53/236039853.db2.gz NBHDXQCCXOLXDW-RQJHMYQMSA-N 2 2 265.159 3.130 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423397302 236063837 /nfs/dbraw/zinc/06/38/37/236063837.db2.gz UQVSCWJIYUBCKS-WCQYABFASA-N 2 2 282.453 3.186 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423439868 236071545 /nfs/dbraw/zinc/07/15/45/236071545.db2.gz VNABUZVNYKVPJK-OKZBNKHCSA-N 2 2 270.420 3.042 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000423448158 236073482 /nfs/dbraw/zinc/07/34/82/236073482.db2.gz PVVGSMHXCAEBGD-RLFYNMQTSA-N 2 2 268.404 3.410 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])oc2cc1C ZINC000423450424 236074318 /nfs/dbraw/zinc/07/43/18/236074318.db2.gz SWKOLHWLGOBZPJ-XQQFMLRXSA-N 2 2 260.381 3.436 20 0 CGADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543503 236096489 /nfs/dbraw/zinc/09/64/89/236096489.db2.gz BZNCWCHRXQHIQS-RISCZKNCSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000423553015 236098357 /nfs/dbraw/zinc/09/83/57/236098357.db2.gz JYEGQDDLPNAAGO-CMPLNLGQSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424381093 236158841 /nfs/dbraw/zinc/15/88/41/236158841.db2.gz YFESTQPYUCUSCA-WQANXHIZSA-N 2 2 298.405 3.172 20 0 CGADLP CC(C)=CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189899246 535371115 /nfs/dbraw/zinc/37/11/15/535371115.db2.gz SBDZHDCEELXXBE-AWEZNQCLSA-N 2 2 255.365 3.489 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000483654837 535371207 /nfs/dbraw/zinc/37/12/07/535371207.db2.gz PWRJRYJAECDJPZ-SJLPKXTDSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000483654837 535371208 /nfs/dbraw/zinc/37/12/08/535371208.db2.gz PWRJRYJAECDJPZ-SJLPKXTDSA-N 2 2 272.436 3.453 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000424283770 236142145 /nfs/dbraw/zinc/14/21/45/236142145.db2.gz BZUCGDSUNLNWNO-ZIAGYGMSSA-N 2 2 279.453 3.160 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000424350857 236155839 /nfs/dbraw/zinc/15/58/39/236155839.db2.gz OUNUYMSSGWHNBP-VXGBXAGGSA-N 2 2 284.831 3.197 20 0 CGADLP Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c(C)[nH+]1 ZINC000427143425 236323907 /nfs/dbraw/zinc/32/39/07/236323907.db2.gz NJSSBUKKDFNECS-UHFFFAOYSA-N 2 2 289.423 3.149 20 0 CGADLP C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692672 199136539 /nfs/dbraw/zinc/13/65/39/199136539.db2.gz ASRWGRGXAMEKGV-NWDGAFQWSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692672 199136541 /nfs/dbraw/zinc/13/65/41/199136541.db2.gz ASRWGRGXAMEKGV-NWDGAFQWSA-N 2 2 297.324 3.497 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000428252464 236385679 /nfs/dbraw/zinc/38/56/79/236385679.db2.gz IEMQLZDSNLGCEI-UHFFFAOYSA-N 2 2 293.455 3.411 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000428252464 236385681 /nfs/dbraw/zinc/38/56/81/236385681.db2.gz IEMQLZDSNLGCEI-UHFFFAOYSA-N 2 2 293.455 3.411 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000353970152 283342693 /nfs/dbraw/zinc/34/26/93/283342693.db2.gz CDFOENPVLCVJPD-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000353970152 283342695 /nfs/dbraw/zinc/34/26/95/283342695.db2.gz CDFOENPVLCVJPD-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000294823273 199199604 /nfs/dbraw/zinc/19/96/04/199199604.db2.gz MWPGFZIVTUGQJA-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000294823273 199199605 /nfs/dbraw/zinc/19/96/05/199199605.db2.gz MWPGFZIVTUGQJA-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436270578 237062273 /nfs/dbraw/zinc/06/22/73/237062273.db2.gz NQHWLZCHPDCRNN-IAGOWNOFSA-N 2 2 274.452 3.328 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436270577 237064558 /nfs/dbraw/zinc/06/45/58/237064558.db2.gz NQHWLZCHPDCRNN-DLBZAZTESA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000341595894 216025987 /nfs/dbraw/zinc/02/59/87/216025987.db2.gz QVQAENVYWVIJBU-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000297374715 200167526 /nfs/dbraw/zinc/16/75/26/200167526.db2.gz QRVFGAVDPFNZRC-LLVKDONJSA-N 2 2 256.353 3.349 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000297594701 200237584 /nfs/dbraw/zinc/23/75/84/200237584.db2.gz FKXYZGZJIJMYQZ-UHFFFAOYSA-N 2 2 273.380 3.000 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000297594701 200237586 /nfs/dbraw/zinc/23/75/86/200237586.db2.gz FKXYZGZJIJMYQZ-UHFFFAOYSA-N 2 2 273.380 3.000 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297593264 200235488 /nfs/dbraw/zinc/23/54/88/200235488.db2.gz SZGMOPWHKKOUQV-ROUUACIJSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297593264 200235489 /nfs/dbraw/zinc/23/54/89/200235489.db2.gz SZGMOPWHKKOUQV-ROUUACIJSA-N 2 2 283.419 3.231 20 0 CGADLP CC(C)CCC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000341799392 216110037 /nfs/dbraw/zinc/11/00/37/216110037.db2.gz NJQGYYPNFLTYOI-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OCC2CC2)c(F)c1 ZINC000177124906 189030440 /nfs/dbraw/zinc/03/04/40/189030440.db2.gz HKPAAQNGVKSIPP-NSHDSACASA-N 2 2 289.354 3.188 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000178700393 189138359 /nfs/dbraw/zinc/13/83/59/189138359.db2.gz QJLVGJBTHLCCGD-GFCCVEGCSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181207298 189291073 /nfs/dbraw/zinc/29/10/73/189291073.db2.gz KAROPIRAVDJIGV-CYBMUJFWSA-N 2 2 284.363 3.107 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181207298 189291074 /nfs/dbraw/zinc/29/10/74/189291074.db2.gz KAROPIRAVDJIGV-CYBMUJFWSA-N 2 2 284.363 3.107 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCCSC3)c2)c[nH+]1 ZINC000342298315 216299541 /nfs/dbraw/zinc/29/95/41/216299541.db2.gz RZSREGMSTYRRKV-GFCCVEGCSA-N 2 2 293.461 3.167 20 0 CGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301470804 201020797 /nfs/dbraw/zinc/02/07/97/201020797.db2.gz OXSQVQWFZKVOIB-OAHLLOKOSA-N 2 2 290.455 3.077 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301470804 201020801 /nfs/dbraw/zinc/02/08/01/201020801.db2.gz OXSQVQWFZKVOIB-OAHLLOKOSA-N 2 2 290.455 3.077 20 0 CGADLP CC(C)CC[NH+]1CCC(CNc2cccc[nH+]2)CC1 ZINC000301569622 201074443 /nfs/dbraw/zinc/07/44/43/201074443.db2.gz XKAATGAOQSGMFW-UHFFFAOYSA-N 2 2 261.413 3.252 20 0 CGADLP Cc1ccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1 ZINC000301652790 201115934 /nfs/dbraw/zinc/11/59/34/201115934.db2.gz QVANRHJCSWGLLY-MRXNPFEDSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000301672603 201129829 /nfs/dbraw/zinc/12/98/29/201129829.db2.gz GCPGVTZNBQEAAT-UHFFFAOYSA-N 2 2 276.428 3.077 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CCNc1nc(C)[nH+]c(C)c1C ZINC000301692376 201142716 /nfs/dbraw/zinc/14/27/16/201142716.db2.gz OCQWETHJRUNTDJ-OAHLLOKOSA-N 2 2 276.428 3.078 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CCNc1nc(C)[nH+]c(C)c1C ZINC000301692376 201142718 /nfs/dbraw/zinc/14/27/18/201142718.db2.gz OCQWETHJRUNTDJ-OAHLLOKOSA-N 2 2 276.428 3.078 20 0 CGADLP Cc1[nH+]c2cc(Nc3nc(C)[nH+]c(C)c3C)ccc2n1C ZINC000301709311 201154171 /nfs/dbraw/zinc/15/41/71/201154171.db2.gz WYUXIYOLAGTZCH-UHFFFAOYSA-N 2 2 281.363 3.341 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(F)cc1 ZINC000342413211 216344270 /nfs/dbraw/zinc/34/42/70/216344270.db2.gz AWYRNTGXYXBXDG-HNNXBMFYSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(F)cc1 ZINC000342413211 216344272 /nfs/dbraw/zinc/34/42/72/216344272.db2.gz AWYRNTGXYXBXDG-HNNXBMFYSA-N 2 2 286.394 3.436 20 0 CGADLP c1cn(Cc2cccc(C[NH2+]C3CC4(CCC4)C3)c2)c[nH+]1 ZINC000448061824 238944399 /nfs/dbraw/zinc/94/43/99/238944399.db2.gz YKCHCGCAYCBXSM-UHFFFAOYSA-N 2 2 281.403 3.354 20 0 CGADLP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302184130 201386434 /nfs/dbraw/zinc/38/64/34/201386434.db2.gz SJPKGPYFKXHQQB-CXAGYDPISA-N 2 2 296.418 3.026 20 0 CGADLP Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302184130 201386438 /nfs/dbraw/zinc/38/64/38/201386438.db2.gz SJPKGPYFKXHQQB-CXAGYDPISA-N 2 2 296.418 3.026 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000449235660 239260634 /nfs/dbraw/zinc/26/06/34/239260634.db2.gz VHXCWSPDICRXPA-CKEIUWERSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449235660 239260638 /nfs/dbraw/zinc/26/06/38/239260638.db2.gz VHXCWSPDICRXPA-CKEIUWERSA-N 2 2 286.419 3.436 20 0 CGADLP CCC1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000342675621 216466544 /nfs/dbraw/zinc/46/65/44/216466544.db2.gz UUAUHWONVDWRBW-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335660818 212378801 /nfs/dbraw/zinc/37/88/01/212378801.db2.gz LRTRXEJZJQVQGL-ZFWWWQNUSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335660818 212378804 /nfs/dbraw/zinc/37/88/04/212378804.db2.gz LRTRXEJZJQVQGL-ZFWWWQNUSA-N 2 2 269.392 3.235 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631972 240010301 /nfs/dbraw/zinc/01/03/01/240010301.db2.gz JKTCMXZXLQNWIR-KGLIPLIRSA-N 2 2 297.393 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631972 240010307 /nfs/dbraw/zinc/01/03/07/240010307.db2.gz JKTCMXZXLQNWIR-KGLIPLIRSA-N 2 2 297.393 3.110 20 0 CGADLP Cc1ccc2[nH+]c(Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)cn2c1 ZINC000451003500 240188401 /nfs/dbraw/zinc/18/84/01/240188401.db2.gz VADWVWZXVVNVCK-KBPBESRZSA-N 2 2 294.402 3.258 20 0 CGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000451139502 240227797 /nfs/dbraw/zinc/22/77/97/240227797.db2.gz AIFJYVFIAPWLLO-YNEHKIRRSA-N 2 2 289.345 3.325 20 0 CGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000451139502 240227801 /nfs/dbraw/zinc/22/78/01/240227801.db2.gz AIFJYVFIAPWLLO-YNEHKIRRSA-N 2 2 289.345 3.325 20 0 CGADLP C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000275626513 193090601 /nfs/dbraw/zinc/09/06/01/193090601.db2.gz AQZZSJUVOVPTFT-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1Br ZINC000424330479 299370755 /nfs/dbraw/zinc/37/07/55/299370755.db2.gz IDDMLLAAAKCHFU-ZLKJLUDKSA-N 2 2 297.240 3.370 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccc(F)cc1 ZINC000459309090 242062968 /nfs/dbraw/zinc/06/29/68/242062968.db2.gz SJBZWRVSCNEPQI-CYBMUJFWSA-N 2 2 275.371 3.185 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccc(F)cc1 ZINC000459309090 242062971 /nfs/dbraw/zinc/06/29/71/242062971.db2.gz SJBZWRVSCNEPQI-CYBMUJFWSA-N 2 2 275.371 3.185 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459434716 242107791 /nfs/dbraw/zinc/10/77/91/242107791.db2.gz NXCNTNKGSWSPFJ-RDJZCZTQSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459434716 242107795 /nfs/dbraw/zinc/10/77/95/242107795.db2.gz NXCNTNKGSWSPFJ-RDJZCZTQSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc2c(s1)CCC2 ZINC000459633773 242155990 /nfs/dbraw/zinc/15/59/90/242155990.db2.gz LSCJPUMYKWARDK-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc2c(s1)CCC2 ZINC000459633773 242155995 /nfs/dbraw/zinc/15/59/95/242155995.db2.gz LSCJPUMYKWARDK-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000275916516 193161163 /nfs/dbraw/zinc/16/11/63/193161163.db2.gz VGRAAMHGCPPLIA-AWEZNQCLSA-N 2 2 272.367 3.292 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000479449780 243105475 /nfs/dbraw/zinc/10/54/75/243105475.db2.gz HYAFWGXTYSVIDX-YOEHRIQHSA-N 2 2 260.425 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000479449780 243105481 /nfs/dbraw/zinc/10/54/81/243105481.db2.gz HYAFWGXTYSVIDX-YOEHRIQHSA-N 2 2 260.425 3.211 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631441 243158371 /nfs/dbraw/zinc/15/83/71/243158371.db2.gz QSRCJPHZLRSZSU-HDMKZQKVSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(OC(C)C)c2)C1 ZINC000480631441 243158375 /nfs/dbraw/zinc/15/83/75/243158375.db2.gz QSRCJPHZLRSZSU-HDMKZQKVSA-N 2 2 290.451 3.465 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000480081594 243137090 /nfs/dbraw/zinc/13/70/90/243137090.db2.gz CUABHSJBKRKZSK-BBRMVZONSA-N 2 2 280.843 3.201 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]CCc2cccc(Cl)c2)[C@@H](C)C1 ZINC000480081594 243137093 /nfs/dbraw/zinc/13/70/93/243137093.db2.gz CUABHSJBKRKZSK-BBRMVZONSA-N 2 2 280.843 3.201 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481948494 243210535 /nfs/dbraw/zinc/21/05/35/243210535.db2.gz AMRFMQQIOGVGPA-QZTJIDSGSA-N 2 2 292.467 3.248 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C2CC2)c1 ZINC000482097304 243216098 /nfs/dbraw/zinc/21/60/98/243216098.db2.gz RJMXQDOLXNJXKA-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@H+](C)C(C)C)C2CC2)c1 ZINC000482097304 243216102 /nfs/dbraw/zinc/21/61/02/243216102.db2.gz RJMXQDOLXNJXKA-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000481240081 243184332 /nfs/dbraw/zinc/18/43/32/243184332.db2.gz GSNQOBRHUIWFGA-KRWDZBQOSA-N 2 2 262.441 3.185 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000481240081 243184340 /nfs/dbraw/zinc/18/43/40/243184340.db2.gz GSNQOBRHUIWFGA-KRWDZBQOSA-N 2 2 262.441 3.185 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000484520500 243316431 /nfs/dbraw/zinc/31/64/31/243316431.db2.gz TYRLFNJRCBCVBQ-SLEUVZQESA-N 2 2 278.465 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000484520500 243316435 /nfs/dbraw/zinc/31/64/35/243316435.db2.gz TYRLFNJRCBCVBQ-SLEUVZQESA-N 2 2 278.465 3.444 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC1(C)C ZINC000486981026 243391622 /nfs/dbraw/zinc/39/16/22/243391622.db2.gz MAWYSEBGCYWMOC-NVXWUHKLSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000019929535 368786315 /nfs/dbraw/zinc/78/63/15/368786315.db2.gz HSXMYHMORBMKGB-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1cccc(C[N@H+]2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000019929535 368786323 /nfs/dbraw/zinc/78/63/23/368786323.db2.gz HSXMYHMORBMKGB-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)c[nH+]1 ZINC000035055387 368995388 /nfs/dbraw/zinc/99/53/88/368995388.db2.gz JNQHECIXLITCIB-UHFFFAOYSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000036996625 369046898 /nfs/dbraw/zinc/04/68/98/369046898.db2.gz XWSBBBUZGYGNSM-KNXALSJPSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000036996625 369046903 /nfs/dbraw/zinc/04/69/03/369046903.db2.gz XWSBBBUZGYGNSM-KNXALSJPSA-N 2 2 280.362 3.242 20 0 CGADLP c1ccc(N2CCC([NH2+]CC3CCCCC3)CC2)[nH+]c1 ZINC000036932181 369039925 /nfs/dbraw/zinc/03/99/25/369039925.db2.gz UQJRMICCZFPVMS-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000035010752 368988081 /nfs/dbraw/zinc/98/80/81/368988081.db2.gz CBYPEONPCGYINI-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000037156944 369072271 /nfs/dbraw/zinc/07/22/71/369072271.db2.gz KKSIRHLYWHZQLZ-PWSUYJOCSA-N 2 2 263.410 3.301 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000037157378 369072682 /nfs/dbraw/zinc/07/26/82/369072682.db2.gz IZHCNERLCJLYDM-CZUORRHYSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000037249377 369078259 /nfs/dbraw/zinc/07/82/59/369078259.db2.gz QAVFKBQTFUUAEW-LLVKDONJSA-N 2 2 281.762 3.417 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC ZINC000037249245 369078465 /nfs/dbraw/zinc/07/84/65/369078465.db2.gz QZPCCETUGWNUJI-OAHLLOKOSA-N 2 2 273.380 3.023 20 0 CGADLP CCCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037273171 369079826 /nfs/dbraw/zinc/07/98/26/369079826.db2.gz GJXMZDOAARSHBC-CQSZACIVSA-N 2 2 261.413 3.219 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(C2CC2)c1 ZINC000423375917 299397170 /nfs/dbraw/zinc/39/71/70/299397170.db2.gz YBQCRTNJKZHYND-IIYDPXPESA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000041064086 369170810 /nfs/dbraw/zinc/17/08/10/369170810.db2.gz WSEDGUOKHFOYRM-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041119324 369174565 /nfs/dbraw/zinc/17/45/65/369174565.db2.gz WIEHKNAMAUYPAJ-OAHLLOKOSA-N 2 2 257.381 3.159 20 0 CGADLP c1csc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000043326836 369249229 /nfs/dbraw/zinc/24/92/29/369249229.db2.gz JAQDQDMOUQJNCC-HIFRSBDPSA-N 2 2 264.438 3.321 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685370 369267556 /nfs/dbraw/zinc/26/75/56/369267556.db2.gz ITYHDQAAOOUHNJ-YPMHNXCESA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685370 369267563 /nfs/dbraw/zinc/26/75/63/369267563.db2.gz ITYHDQAAOOUHNJ-YPMHNXCESA-N 2 2 296.361 3.175 20 0 CGADLP Fc1cncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000494615457 244305486 /nfs/dbraw/zinc/30/54/86/244305486.db2.gz WIGGDIZZAMCIIT-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP C[NH+](C)CCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000045663907 369283745 /nfs/dbraw/zinc/28/37/45/369283745.db2.gz QDDDWMIZJQHLOD-UHFFFAOYSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCCC[NH+](C)C)C2CC2)cc1 ZINC000045664033 369284019 /nfs/dbraw/zinc/28/40/19/369284019.db2.gz PEPWMCWULABGKB-QGZVFWFLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000045663721 369284024 /nfs/dbraw/zinc/28/40/24/369284024.db2.gz NULLOFRBTAVDOL-HNNXBMFYSA-N 2 2 294.439 3.086 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125704 244358859 /nfs/dbraw/zinc/35/88/59/244358859.db2.gz BSJHUAZVOZHWNZ-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125704 244358863 /nfs/dbraw/zinc/35/88/63/244358863.db2.gz BSJHUAZVOZHWNZ-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125704 244358870 /nfs/dbraw/zinc/35/88/70/244358870.db2.gz BSJHUAZVOZHWNZ-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4ccccc4s3)[C@@H]2C1 ZINC000495125704 244358874 /nfs/dbraw/zinc/35/88/74/244358874.db2.gz BSJHUAZVOZHWNZ-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000050163974 369430892 /nfs/dbraw/zinc/43/08/92/369430892.db2.gz TXHBWWVTLLZEAU-TZMCWYRMSA-N 2 2 255.365 3.035 20 0 CGADLP COc1cccc2c(NCCCn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000276123601 193220459 /nfs/dbraw/zinc/22/04/59/193220459.db2.gz YUHNAJZIUJREGC-UHFFFAOYSA-N 2 2 296.374 3.251 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000054109967 369493763 /nfs/dbraw/zinc/49/37/63/369493763.db2.gz VLAMBWBGLJGYTO-AWEZNQCLSA-N 2 2 256.393 3.442 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000054109967 369493771 /nfs/dbraw/zinc/49/37/71/369493771.db2.gz VLAMBWBGLJGYTO-AWEZNQCLSA-N 2 2 256.393 3.442 20 0 CGADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000276277823 193269120 /nfs/dbraw/zinc/26/91/20/193269120.db2.gz YWSGDRHHHJENNR-GFCCVEGCSA-N 2 2 297.324 3.497 20 0 CGADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000276277823 193269122 /nfs/dbraw/zinc/26/91/22/193269122.db2.gz YWSGDRHHHJENNR-GFCCVEGCSA-N 2 2 297.324 3.497 20 0 CGADLP Cn1cc[nH+]c1CNc1ccc([NH+]2CCCCC2)cc1 ZINC000059016081 369577752 /nfs/dbraw/zinc/57/77/52/369577752.db2.gz BFFXVZUHQARIOY-UHFFFAOYSA-N 2 2 270.380 3.023 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074711 369779417 /nfs/dbraw/zinc/77/94/17/369779417.db2.gz ADQKLSVADHUSFK-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000070074711 369779420 /nfs/dbraw/zinc/77/94/20/369779420.db2.gz ADQKLSVADHUSFK-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074671 369779701 /nfs/dbraw/zinc/77/97/01/369779701.db2.gz CEKZYZBAHYZQCY-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074671 369779703 /nfs/dbraw/zinc/77/97/03/369779703.db2.gz CEKZYZBAHYZQCY-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000078674963 369952565 /nfs/dbraw/zinc/95/25/65/369952565.db2.gz OANIYPGYLKZYTF-KRWDZBQOSA-N 2 2 281.403 3.040 20 0 CGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000078674963 369952569 /nfs/dbraw/zinc/95/25/69/369952569.db2.gz OANIYPGYLKZYTF-KRWDZBQOSA-N 2 2 281.403 3.040 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043655 370089812 /nfs/dbraw/zinc/08/98/12/370089812.db2.gz PUCOMFSYMYRRSU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043655 370089816 /nfs/dbraw/zinc/08/98/16/370089816.db2.gz PUCOMFSYMYRRSU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043655 370089821 /nfs/dbraw/zinc/08/98/21/370089821.db2.gz PUCOMFSYMYRRSU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)CC[C@@H]21 ZINC000092043655 370089825 /nfs/dbraw/zinc/08/98/25/370089825.db2.gz PUCOMFSYMYRRSU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564149 370142889 /nfs/dbraw/zinc/14/28/89/370142889.db2.gz USTPPXWVPUOJDC-AWEZNQCLSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564149 370142893 /nfs/dbraw/zinc/14/28/93/370142893.db2.gz USTPPXWVPUOJDC-AWEZNQCLSA-N 2 2 294.389 3.415 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)on2)cc1 ZINC000113512833 370475796 /nfs/dbraw/zinc/47/57/96/370475796.db2.gz PQJIJHVUAMUMRI-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)on2)cc1 ZINC000113512833 370475802 /nfs/dbraw/zinc/47/58/02/370475802.db2.gz PQJIJHVUAMUMRI-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129569845 370993384 /nfs/dbraw/zinc/99/33/84/370993384.db2.gz UTZIEZKJNQSBTQ-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129569845 370993389 /nfs/dbraw/zinc/99/33/89/370993389.db2.gz UTZIEZKJNQSBTQ-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP CCc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)o1 ZINC000130438146 371033929 /nfs/dbraw/zinc/03/39/29/371033929.db2.gz YBYJKDDQXRPSSW-UHFFFAOYSA-N 2 2 264.413 3.052 20 0 CGADLP Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000131458731 371108738 /nfs/dbraw/zinc/10/87/38/371108738.db2.gz LDHOZSOGQSGFNW-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000131458731 371108745 /nfs/dbraw/zinc/10/87/45/371108745.db2.gz LDHOZSOGQSGFNW-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131701402 371123717 /nfs/dbraw/zinc/12/37/17/371123717.db2.gz IIXYVAOLEJOLQD-GUYCJALGSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236460 371161238 /nfs/dbraw/zinc/16/12/38/371161238.db2.gz LJMJFRWZUONTDN-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236460 371161241 /nfs/dbraw/zinc/16/12/41/371161241.db2.gz LJMJFRWZUONTDN-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133983029 371293781 /nfs/dbraw/zinc/29/37/81/371293781.db2.gz SLAXRWCDIHTSPF-WBVHZDCISA-N 2 2 296.418 3.349 20 0 CGADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000286718687 371542198 /nfs/dbraw/zinc/54/21/98/371542198.db2.gz GEUPFPUOHLQDTG-CYBMUJFWSA-N 2 2 261.394 3.028 20 0 CGADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000286718687 371542200 /nfs/dbraw/zinc/54/22/00/371542200.db2.gz GEUPFPUOHLQDTG-CYBMUJFWSA-N 2 2 261.394 3.028 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000151109071 371570673 /nfs/dbraw/zinc/57/06/73/371570673.db2.gz CUGMMYZWWJDHDV-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000151109071 371570682 /nfs/dbraw/zinc/57/06/82/371570682.db2.gz CUGMMYZWWJDHDV-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)C1CCCCC1 ZINC000151130920 371573792 /nfs/dbraw/zinc/57/37/92/371573792.db2.gz HZZJPSCDNKUBMU-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000151163331 371578738 /nfs/dbraw/zinc/57/87/38/371578738.db2.gz QGJKIXKAXLBTQF-SFHVURJKSA-N 2 2 283.419 3.193 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000152123152 371674773 /nfs/dbraw/zinc/67/47/73/371674773.db2.gz GEPMWDDHSGZVKW-GOSISDBHSA-N 2 2 283.419 3.456 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287600356 371681295 /nfs/dbraw/zinc/68/12/95/371681295.db2.gz RXYRCPXAZHMTLP-NWDGAFQWSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287600356 371681306 /nfs/dbraw/zinc/68/13/06/371681306.db2.gz RXYRCPXAZHMTLP-NWDGAFQWSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCCC[NH2+]1 ZINC000422743532 371780124 /nfs/dbraw/zinc/78/01/24/371780124.db2.gz RQPDTAVRDFDHIY-QWHCGFSZSA-N 2 2 295.496 3.103 20 0 CGADLP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422746717 371781531 /nfs/dbraw/zinc/78/15/31/371781531.db2.gz XAQLDFTWDMDEDM-CABCVRRESA-N 2 2 287.432 3.034 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCSC1CCCCC1 ZINC000337323818 214006557 /nfs/dbraw/zinc/00/65/57/214006557.db2.gz STWUCWLCXRQOKQ-UHFFFAOYSA-N 2 2 281.469 3.271 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCSC1CCCCC1 ZINC000337323818 214006559 /nfs/dbraw/zinc/00/65/59/214006559.db2.gz STWUCWLCXRQOKQ-UHFFFAOYSA-N 2 2 281.469 3.271 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000337331994 214009799 /nfs/dbraw/zinc/00/97/99/214009799.db2.gz HVXCBBLBGPFNFX-MRXNPFEDSA-N 2 2 299.418 3.121 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)Cc1ccccc1 ZINC000337366517 214032383 /nfs/dbraw/zinc/03/23/83/214032383.db2.gz PKNGDIMYFBSTHB-RCCFBDPRSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)Cc1ccccc1 ZINC000337366517 214032386 /nfs/dbraw/zinc/03/23/86/214032386.db2.gz PKNGDIMYFBSTHB-RCCFBDPRSA-N 2 2 272.436 3.287 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422796827 371815988 /nfs/dbraw/zinc/81/59/88/371815988.db2.gz KNZKXWIRIKZMDJ-KBPBESRZSA-N 2 2 286.341 3.326 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422871583 371846777 /nfs/dbraw/zinc/84/67/77/371846777.db2.gz DDUPUIMBDZVDBB-LBPRGKRZSA-N 2 2 287.432 3.375 20 0 CGADLP CCC[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000036939873 541859809 /nfs/dbraw/zinc/85/98/09/541859809.db2.gz QTCFHDPUAITVJI-UHFFFAOYSA-N 2 2 284.407 3.159 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC000154524296 371853419 /nfs/dbraw/zinc/85/34/19/371853419.db2.gz VRZYBUSISCNOKK-AAEUAGOBSA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC000154524296 371853425 /nfs/dbraw/zinc/85/34/25/371853425.db2.gz VRZYBUSISCNOKK-AAEUAGOBSA-N 2 2 252.427 3.110 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422883681 371853991 /nfs/dbraw/zinc/85/39/91/371853991.db2.gz VKAWUVHTNFUZBQ-CVEARBPZSA-N 2 2 285.391 3.091 20 0 CGADLP CC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000155689645 371938948 /nfs/dbraw/zinc/93/89/48/371938948.db2.gz NJGSGYGIHMBLBT-CQSZACIVSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000155689645 371938954 /nfs/dbraw/zinc/93/89/54/371938954.db2.gz NJGSGYGIHMBLBT-CQSZACIVSA-N 2 2 260.425 3.211 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422954276 371890718 /nfs/dbraw/zinc/89/07/18/371890718.db2.gz HTRKYNGZWKEQLH-XIRDDKMYSA-N 2 2 288.435 3.124 20 0 CGADLP CCCOc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422971886 371897616 /nfs/dbraw/zinc/89/76/16/371897616.db2.gz KAQABGTUJSKZAJ-IRXDYDNUSA-N 2 2 297.402 3.105 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423064710 371942717 /nfs/dbraw/zinc/94/27/17/371942717.db2.gz AFIFYWTZJGPDGG-KGLIPLIRSA-N 2 2 288.391 3.191 20 0 CGADLP CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423006151 371912296 /nfs/dbraw/zinc/91/22/96/371912296.db2.gz UGNPSKONMFTXCZ-LSDHHAIUSA-N 2 2 278.465 3.126 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423065292 371944314 /nfs/dbraw/zinc/94/43/14/371944314.db2.gz TWEGBDURBORCDA-KGLIPLIRSA-N 2 2 270.779 3.099 20 0 CGADLP CCCCCn1cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000423030284 371924140 /nfs/dbraw/zinc/92/41/40/371924140.db2.gz VYTZWVHCXXSOCA-IRXDYDNUSA-N 2 2 292.471 3.002 20 0 CGADLP COC1CCC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000290319555 371962344 /nfs/dbraw/zinc/96/23/44/371962344.db2.gz OEVOYFUHWFHTAV-FAEJEUNOSA-N 2 2 290.451 3.054 20 0 CGADLP COC1CCC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000290319555 371962350 /nfs/dbraw/zinc/96/23/50/371962350.db2.gz OEVOYFUHWFHTAV-FAEJEUNOSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc[nH+]cc1CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC000290341853 371966481 /nfs/dbraw/zinc/96/64/81/371966481.db2.gz LDYZKAWLLHHDRX-UHFFFAOYSA-N 2 2 296.418 3.430 20 0 CGADLP CC[C@H]([NH2+]Cc1c(F)cccc1SC)[C@@H]1CCC[NH2+]1 ZINC000423114174 371974785 /nfs/dbraw/zinc/97/47/85/371974785.db2.gz ZYARFFBZEVXMGV-KBPBESRZSA-N 2 2 282.428 3.168 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000423123785 371978272 /nfs/dbraw/zinc/97/82/72/371978272.db2.gz NIVDVTJPNMUIOT-FBIMIBRVSA-N 2 2 270.829 3.119 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423129856 371983470 /nfs/dbraw/zinc/98/34/70/371983470.db2.gz FVFBRONGAMITNP-DOMZBBRYSA-N 2 2 282.378 3.419 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)C1C[NH2+]C1 ZINC000423135820 371984328 /nfs/dbraw/zinc/98/43/28/371984328.db2.gz UMOUSCDZHBZZFF-CYBMUJFWSA-N 2 2 284.378 3.190 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)CCC2 ZINC000156572834 371986622 /nfs/dbraw/zinc/98/66/22/371986622.db2.gz NQKKKVMMMPUNDZ-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)CCC2 ZINC000156572834 371986627 /nfs/dbraw/zinc/98/66/27/371986627.db2.gz NQKKKVMMMPUNDZ-OLZOCXBDSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423189084 372015684 /nfs/dbraw/zinc/01/56/84/372015684.db2.gz MEVJYUOSSGDTNU-DYVFJYSZSA-N 2 2 254.377 3.242 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccoc1 ZINC000423194838 372019705 /nfs/dbraw/zinc/01/97/05/372019705.db2.gz RUCONBITJYHRRZ-GJZGRUSLSA-N 2 2 250.386 3.099 20 0 CGADLP [NH3+]C1(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCCC1 ZINC000423201404 372024990 /nfs/dbraw/zinc/02/49/90/372024990.db2.gz OMUVUHDCEFIMTJ-INIZCTEOSA-N 2 2 298.434 3.140 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(-c2ccccc2)c1 ZINC000423206262 372030756 /nfs/dbraw/zinc/03/07/56/372030756.db2.gz QFROCNGMDFAGSX-RDTXWAMCSA-N 2 2 266.388 3.366 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423210214 372032517 /nfs/dbraw/zinc/03/25/17/372032517.db2.gz WJLDKCKRQFYZFM-ZYHUDNBSSA-N 2 2 286.391 3.056 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423211143 372032836 /nfs/dbraw/zinc/03/28/36/372032836.db2.gz HZWLYGDDRSQTJR-CZUORRHYSA-N 2 2 258.365 3.081 20 0 CGADLP CCCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423212026 372034738 /nfs/dbraw/zinc/03/47/38/372034738.db2.gz ZKRDWFKVNIXXIP-HOCLYGCPSA-N 2 2 276.424 3.268 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423400245 372060891 /nfs/dbraw/zinc/06/08/91/372060891.db2.gz WXQBHQDBPZRJIE-WZRBSPASSA-N 2 2 252.427 3.274 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)c1ccccc1 ZINC000423249396 372041348 /nfs/dbraw/zinc/04/13/48/372041348.db2.gz SXYADOCRMSBPEO-ZWKOTPCHSA-N 2 2 298.455 3.307 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423263549 372043849 /nfs/dbraw/zinc/04/38/49/372043849.db2.gz OTQMOJFRWYBHQV-GXTWGEPZSA-N 2 2 264.413 3.256 20 0 CGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423326380 372051225 /nfs/dbraw/zinc/05/12/25/372051225.db2.gz MTWYYYSYCXAUEM-NXEZZACHSA-N 2 2 293.411 3.255 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423383557 372057819 /nfs/dbraw/zinc/05/78/19/372057819.db2.gz PKZXHHKMWQQBNI-HSMVNMDESA-N 2 2 264.388 3.037 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423176873 372006276 /nfs/dbraw/zinc/00/62/76/372006276.db2.gz IEUZAZWEAOJRAX-OAHLLOKOSA-N 3 2 298.434 3.185 20 0 CGADLP COC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000423179575 372009693 /nfs/dbraw/zinc/00/96/93/372009693.db2.gz MMRGQMHTLBFJAB-HNNXBMFYSA-N 2 2 296.842 3.279 20 0 CGADLP CCO[C@@H](CC[NH2+]CCCc1c[nH+]ccc1C)C(C)C ZINC000290522088 372009862 /nfs/dbraw/zinc/00/98/62/372009862.db2.gz XOYQDCQEGWCHQA-KRWDZBQOSA-N 2 2 278.440 3.363 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538004 372012854 /nfs/dbraw/zinc/01/28/54/372012854.db2.gz RBVUWNCVKJZIDS-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538004 372012862 /nfs/dbraw/zinc/01/28/62/372012862.db2.gz RBVUWNCVKJZIDS-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cs1 ZINC000290538004 372012866 /nfs/dbraw/zinc/01/28/66/372012866.db2.gz RBVUWNCVKJZIDS-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538004 372012873 /nfs/dbraw/zinc/01/28/73/372012873.db2.gz RBVUWNCVKJZIDS-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423185449 372013382 /nfs/dbraw/zinc/01/33/82/372013382.db2.gz JKYNXISJTXFKIL-GUYCJALGSA-N 2 2 284.403 3.251 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)Cc3cccc(O)c3)n2c1 ZINC000344210588 217099780 /nfs/dbraw/zinc/09/97/80/217099780.db2.gz KTVKOOZGHRUEKM-CQSZACIVSA-N 2 2 295.386 3.069 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672484 541868231 /nfs/dbraw/zinc/86/82/31/541868231.db2.gz FFMOGQDIGBVQJA-DOTOQJQBSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672484 541868236 /nfs/dbraw/zinc/86/82/36/541868236.db2.gz FFMOGQDIGBVQJA-DOTOQJQBSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671869 541868607 /nfs/dbraw/zinc/86/86/07/541868607.db2.gz JKOVFBHEYKBWQO-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671869 541868612 /nfs/dbraw/zinc/86/86/12/541868612.db2.gz JKOVFBHEYKBWQO-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672010 541867853 /nfs/dbraw/zinc/86/78/53/541867853.db2.gz FAZMAGZNJQNZRU-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672010 541867857 /nfs/dbraw/zinc/86/78/57/541867857.db2.gz FAZMAGZNJQNZRU-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048887 372289146 /nfs/dbraw/zinc/28/91/46/372289146.db2.gz SXOMFKACELQZLP-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048887 372289150 /nfs/dbraw/zinc/28/91/50/372289150.db2.gz SXOMFKACELQZLP-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048887 372289155 /nfs/dbraw/zinc/28/91/55/372289155.db2.gz SXOMFKACELQZLP-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)s3)C2)C1 ZINC000293048887 372289158 /nfs/dbraw/zinc/28/91/58/372289158.db2.gz SXOMFKACELQZLP-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[NH+]1CCCCC1 ZINC000344296644 217137575 /nfs/dbraw/zinc/13/75/75/217137575.db2.gz NMYPZMYJYCKDGW-LBPRGKRZSA-N 2 2 270.804 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000292917504 372248258 /nfs/dbraw/zinc/24/82/58/372248258.db2.gz FXSIMNBELARWSZ-MBGYTDRXSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000292917504 372248262 /nfs/dbraw/zinc/24/82/62/372248262.db2.gz FXSIMNBELARWSZ-MBGYTDRXSA-N 2 2 270.420 3.005 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428875557 372277618 /nfs/dbraw/zinc/27/76/18/372277618.db2.gz VMFVRIZRCPZGJJ-UHFFFAOYSA-N 2 2 295.427 3.257 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429005551 372303878 /nfs/dbraw/zinc/30/38/78/372303878.db2.gz MJCQOXBULJYWPX-GOSISDBHSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429005551 372303883 /nfs/dbraw/zinc/30/38/83/372303883.db2.gz MJCQOXBULJYWPX-GOSISDBHSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429005551 372303887 /nfs/dbraw/zinc/30/38/87/372303887.db2.gz MJCQOXBULJYWPX-GOSISDBHSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429005551 372303892 /nfs/dbraw/zinc/30/38/92/372303892.db2.gz MJCQOXBULJYWPX-GOSISDBHSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429129457 372316963 /nfs/dbraw/zinc/31/69/63/372316963.db2.gz RZRVKFDHADVQGF-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429129457 372316965 /nfs/dbraw/zinc/31/69/65/372316965.db2.gz RZRVKFDHADVQGF-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000162325665 372387315 /nfs/dbraw/zinc/38/73/15/372387315.db2.gz YTSMVOYTTRNBOF-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000162325665 372387320 /nfs/dbraw/zinc/38/73/20/372387320.db2.gz YTSMVOYTTRNBOF-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP CCC1CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000344483791 217207843 /nfs/dbraw/zinc/20/78/43/217207843.db2.gz NJSWYQAGNOPOLF-UHFFFAOYSA-N 2 2 296.499 3.434 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000167671643 372599268 /nfs/dbraw/zinc/59/92/68/372599268.db2.gz HRZYPSKQCDXFSD-NVXWUHKLSA-N 2 2 290.451 3.356 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000167671643 372599273 /nfs/dbraw/zinc/59/92/73/372599273.db2.gz HRZYPSKQCDXFSD-NVXWUHKLSA-N 2 2 290.451 3.356 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000170987081 372697159 /nfs/dbraw/zinc/69/71/59/372697159.db2.gz NVNLXFYUEQEVNX-UHFFFAOYSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000170986674 372695394 /nfs/dbraw/zinc/69/53/94/372695394.db2.gz KHDBDXWGVLAVRZ-UHFFFAOYSA-N 2 2 290.451 3.436 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)c(F)c1)CCC2 ZINC000344545638 217227532 /nfs/dbraw/zinc/22/75/32/217227532.db2.gz SDPYCWCCIBWGON-OAHLLOKOSA-N 2 2 287.382 3.306 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569257 372831386 /nfs/dbraw/zinc/83/13/86/372831386.db2.gz ZVALYVFBWNYVAR-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569257 372831392 /nfs/dbraw/zinc/83/13/92/372831392.db2.gz ZVALYVFBWNYVAR-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569257 372831403 /nfs/dbraw/zinc/83/14/03/372831403.db2.gz ZVALYVFBWNYVAR-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1cc(F)cc(F)c1 ZINC000295569257 372831413 /nfs/dbraw/zinc/83/14/13/372831413.db2.gz ZVALYVFBWNYVAR-XNJGSVPQSA-N 2 2 294.389 3.094 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000344707369 217283446 /nfs/dbraw/zinc/28/34/46/217283446.db2.gz DDTGGQMXKMJLLG-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000344707369 217283448 /nfs/dbraw/zinc/28/34/48/217283448.db2.gz DDTGGQMXKMJLLG-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000344707369 217283450 /nfs/dbraw/zinc/28/34/50/217283450.db2.gz DDTGGQMXKMJLLG-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000344707369 217283451 /nfs/dbraw/zinc/28/34/51/217283451.db2.gz DDTGGQMXKMJLLG-CJNGLKHVSA-N 2 2 278.827 3.174 20 0 CGADLP CCC(C)(C)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000441498379 373024696 /nfs/dbraw/zinc/02/46/96/373024696.db2.gz FKCHWEONOICTKF-UHFFFAOYSA-N 2 2 291.439 3.039 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344839526 217328506 /nfs/dbraw/zinc/32/85/06/217328506.db2.gz PTEJUWGTFPYZFB-YJBOKZPZSA-N 2 2 289.467 3.107 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344839526 217328507 /nfs/dbraw/zinc/32/85/07/217328507.db2.gz PTEJUWGTFPYZFB-YJBOKZPZSA-N 2 2 289.467 3.107 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000344856849 217334746 /nfs/dbraw/zinc/33/47/46/217334746.db2.gz ZVAXDRUCRQCOJT-GDBMZVCRSA-N 2 2 295.496 3.442 20 0 CGADLP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297799227 373281882 /nfs/dbraw/zinc/28/18/82/373281882.db2.gz XGMNPSAJIYDLNA-CRAIPNDOSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297799227 373281888 /nfs/dbraw/zinc/28/18/88/373281888.db2.gz XGMNPSAJIYDLNA-CRAIPNDOSA-N 2 2 283.419 3.436 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(F)c1 ZINC000446938807 373385095 /nfs/dbraw/zinc/38/50/95/373385095.db2.gz KBZQYOTYGAHPGW-JKSUJKDBSA-N 2 2 296.455 3.304 20 0 CGADLP CSCC1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449077495 373658162 /nfs/dbraw/zinc/65/81/62/373658162.db2.gz JOYKNABQEDVXEZ-QQFBHYJXSA-N 2 2 284.513 3.372 20 0 CGADLP CSCC1CCC([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000449077495 373658172 /nfs/dbraw/zinc/65/81/72/373658172.db2.gz JOYKNABQEDVXEZ-QQFBHYJXSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@@H]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000177046310 373651006 /nfs/dbraw/zinc/65/10/06/373651006.db2.gz IISJNUOPOWVIDC-RISCZKNCSA-N 2 2 276.771 3.019 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129344 373663794 /nfs/dbraw/zinc/66/37/94/373663794.db2.gz BRXABGALLTUZGA-KQTLUZQSSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129344 373663802 /nfs/dbraw/zinc/66/38/02/373663802.db2.gz BRXABGALLTUZGA-KQTLUZQSSA-N 2 2 250.430 3.028 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)co1 ZINC000177582984 373693060 /nfs/dbraw/zinc/69/30/60/373693060.db2.gz FDOBJVSGTFFCJY-UHFFFAOYSA-N 2 2 262.397 3.166 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000449482541 373772302 /nfs/dbraw/zinc/77/23/02/373772302.db2.gz YSWWPDDKGSKODH-QGZVFWFLSA-N 2 2 288.435 3.262 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329147 373767580 /nfs/dbraw/zinc/76/75/80/373767580.db2.gz KANQGWPCCZVBFI-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329147 373767586 /nfs/dbraw/zinc/76/75/86/373767586.db2.gz KANQGWPCCZVBFI-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301388652 373769348 /nfs/dbraw/zinc/76/93/48/373769348.db2.gz DZLRYBYMECRHRE-AWEZNQCLSA-N 2 2 288.439 3.337 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301388652 373769356 /nfs/dbraw/zinc/76/93/56/373769356.db2.gz DZLRYBYMECRHRE-AWEZNQCLSA-N 2 2 288.439 3.337 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301388653 373769846 /nfs/dbraw/zinc/76/98/46/373769846.db2.gz DZLRYBYMECRHRE-CQSZACIVSA-N 2 2 288.439 3.337 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301388653 373769848 /nfs/dbraw/zinc/76/98/48/373769848.db2.gz DZLRYBYMECRHRE-CQSZACIVSA-N 2 2 288.439 3.337 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000449504275 373802837 /nfs/dbraw/zinc/80/28/37/373802837.db2.gz VOJARNVPBSYMMS-CALCHBBNSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000449504275 373802847 /nfs/dbraw/zinc/80/28/47/373802847.db2.gz VOJARNVPBSYMMS-CALCHBBNSA-N 2 2 258.409 3.445 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccco1 ZINC000353666625 220238561 /nfs/dbraw/zinc/23/85/61/220238561.db2.gz RCKRSTVVWOAZOL-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c2c(OC)cccc12 ZINC000302453442 373871177 /nfs/dbraw/zinc/87/11/77/373871177.db2.gz PWTYEAXIMFFYLM-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP Fc1ccccc1C1([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000179426948 373872391 /nfs/dbraw/zinc/87/23/91/373872391.db2.gz PCTGNERBHQLETH-UHFFFAOYSA-N 2 2 281.334 3.252 20 0 CGADLP CC1CCC(C)([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000179424885 373872473 /nfs/dbraw/zinc/87/24/73/373872473.db2.gz PXZADHWRRRWBOO-UHFFFAOYSA-N 2 2 257.381 3.393 20 0 CGADLP COCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCC1 ZINC000449742651 373874049 /nfs/dbraw/zinc/87/40/49/373874049.db2.gz PXKWYCBQUPBKJY-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000179991668 373951118 /nfs/dbraw/zinc/95/11/18/373951118.db2.gz VKYTVJKFFVPQIB-MRXNPFEDSA-N 2 2 289.448 3.290 20 0 CGADLP c1cn(CCC[NH2+]C2(c3ccccc3)CCCC2)c[nH+]1 ZINC000179671999 373904316 /nfs/dbraw/zinc/90/43/16/373904316.db2.gz FKGHQRJCUVGOLZ-UHFFFAOYSA-N 2 2 269.392 3.332 20 0 CGADLP CC[C@@]1(C)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180288607 373988802 /nfs/dbraw/zinc/98/88/02/373988802.db2.gz YHAUKGZBMBELIP-INIZCTEOSA-N 2 2 257.381 3.346 20 0 CGADLP CC[C@@]1(C)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180288607 373988807 /nfs/dbraw/zinc/98/88/07/373988807.db2.gz YHAUKGZBMBELIP-INIZCTEOSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181093147 374079046 /nfs/dbraw/zinc/07/90/46/374079046.db2.gz GXTNNGILCUDBOI-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@@H+]1C ZINC000180973662 374064205 /nfs/dbraw/zinc/06/42/05/374064205.db2.gz RANDKUXELJBAEM-ZBFHGGJFSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)CC[N@H+]1C ZINC000180973662 374064211 /nfs/dbraw/zinc/06/42/11/374064211.db2.gz RANDKUXELJBAEM-ZBFHGGJFSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000309695539 374193344 /nfs/dbraw/zinc/19/33/44/374193344.db2.gz DWPVIPZERCJQHB-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000309695539 374193348 /nfs/dbraw/zinc/19/33/48/374193348.db2.gz DWPVIPZERCJQHB-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309734344 374194568 /nfs/dbraw/zinc/19/45/68/374194568.db2.gz QDIRNDDPCSGXTP-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309734344 374194574 /nfs/dbraw/zinc/19/45/74/374194574.db2.gz QDIRNDDPCSGXTP-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000309863709 374202206 /nfs/dbraw/zinc/20/22/06/374202206.db2.gz DXBDCLHYFMYCOI-VBQJREDUSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000309863709 374202210 /nfs/dbraw/zinc/20/22/10/374202210.db2.gz DXBDCLHYFMYCOI-VBQJREDUSA-N 2 2 258.409 3.038 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309894008 374202534 /nfs/dbraw/zinc/20/25/34/374202534.db2.gz NKFVFNGYZFWOSG-YOEHRIQHSA-N 2 2 260.425 3.428 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309894008 374202537 /nfs/dbraw/zinc/20/25/37/374202537.db2.gz NKFVFNGYZFWOSG-YOEHRIQHSA-N 2 2 260.425 3.428 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093907 374219528 /nfs/dbraw/zinc/21/95/28/374219528.db2.gz LZMKLKPEYBMSIP-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093907 374219532 /nfs/dbraw/zinc/21/95/32/374219532.db2.gz LZMKLKPEYBMSIP-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312552703 374281624 /nfs/dbraw/zinc/28/16/24/374281624.db2.gz ZEAKCXYBIVKGTP-LLVKDONJSA-N 2 2 272.845 3.221 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000312552703 374281629 /nfs/dbraw/zinc/28/16/29/374281629.db2.gz ZEAKCXYBIVKGTP-LLVKDONJSA-N 2 2 272.845 3.221 20 0 CGADLP Cc1cccn2cc(CC[NH2+]C3CCCCCC3)[nH+]c12 ZINC000080236455 541922176 /nfs/dbraw/zinc/92/21/76/541922176.db2.gz QGLJNILZOMYPCK-UHFFFAOYSA-N 2 2 271.408 3.498 20 0 CGADLP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000453092327 374364389 /nfs/dbraw/zinc/36/43/89/374364389.db2.gz DJOGUWCLMUORTG-RDJZCZTQSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000453092327 374364391 /nfs/dbraw/zinc/36/43/91/374364391.db2.gz DJOGUWCLMUORTG-RDJZCZTQSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319877746 374347578 /nfs/dbraw/zinc/34/75/78/374347578.db2.gz HZDOFCDDGINSDX-YQQAZPJKSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183198346 374384959 /nfs/dbraw/zinc/38/49/59/374384959.db2.gz GQUYPHNQXLAAMH-HZSPNIEDSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198346 374384964 /nfs/dbraw/zinc/38/49/64/374384964.db2.gz GQUYPHNQXLAAMH-HZSPNIEDSA-N 2 2 293.480 3.447 20 0 CGADLP CC1CC[NH+](CC[NH2+]CC2CCCCCC2)CC1 ZINC000089559991 541953356 /nfs/dbraw/zinc/95/33/56/541953356.db2.gz YPIFEXBNESHSCK-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000091308069 541966307 /nfs/dbraw/zinc/96/63/07/541966307.db2.gz FEMLULJRBZNVJH-RDJZCZTQSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000091308069 541966311 /nfs/dbraw/zinc/96/63/11/541966311.db2.gz FEMLULJRBZNVJH-RDJZCZTQSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1nc2c(s1)CCCC2 ZINC000332293983 374565656 /nfs/dbraw/zinc/56/56/56/374565656.db2.gz JZJMOUJAOOUELG-LBPRGKRZSA-N 2 2 293.480 3.334 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334430758 374744394 /nfs/dbraw/zinc/74/43/94/374744394.db2.gz JUZRTYWSGYPOJA-MRXNPFEDSA-N 2 2 259.397 3.014 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334430758 374744401 /nfs/dbraw/zinc/74/44/01/374744401.db2.gz JUZRTYWSGYPOJA-MRXNPFEDSA-N 2 2 259.397 3.014 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000459438156 374807708 /nfs/dbraw/zinc/80/77/08/374807708.db2.gz ZUONDAZIWRDQBA-MXWWQKGMSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000459438156 374807713 /nfs/dbraw/zinc/80/77/13/374807713.db2.gz ZUONDAZIWRDQBA-MXWWQKGMSA-N 2 2 272.436 3.179 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000186188161 374809873 /nfs/dbraw/zinc/80/98/73/374809873.db2.gz OAMNZSYCGTVMSI-GFCCVEGCSA-N 2 2 291.420 3.305 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000186188145 374810027 /nfs/dbraw/zinc/81/00/27/374810027.db2.gz OAMNZSYCGTVMSI-LBPRGKRZSA-N 2 2 291.420 3.305 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1cccnc1 ZINC000186329542 374833899 /nfs/dbraw/zinc/83/38/99/374833899.db2.gz GLKCEINOKHQPMZ-RKVPGOIHSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000462747909 374834000 /nfs/dbraw/zinc/83/40/00/374834000.db2.gz YDPOHYWOIDUSEY-LVQVYYBASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000462747909 374834002 /nfs/dbraw/zinc/83/40/02/374834002.db2.gz YDPOHYWOIDUSEY-LVQVYYBASA-N 2 2 252.446 3.418 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000334553575 374850297 /nfs/dbraw/zinc/85/02/97/374850297.db2.gz QOEJDEMDQYTXJG-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000334553575 374850300 /nfs/dbraw/zinc/85/03/00/374850300.db2.gz QOEJDEMDQYTXJG-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)nc2c1CCC2 ZINC000334558056 374856190 /nfs/dbraw/zinc/85/61/90/374856190.db2.gz GFMZISHHQHWCPN-UHFFFAOYSA-N 2 2 299.462 3.021 20 0 CGADLP CCC[N@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC000094528231 541987924 /nfs/dbraw/zinc/98/79/24/541987924.db2.gz ZNCMNNPEROMHOZ-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC000094528231 541987931 /nfs/dbraw/zinc/98/79/31/541987931.db2.gz ZNCMNNPEROMHOZ-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541431 374975558 /nfs/dbraw/zinc/97/55/58/374975558.db2.gz GTGFFKDMKIXGMS-WMLDXEAASA-N 2 2 262.441 3.339 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000467541431 374975561 /nfs/dbraw/zinc/97/55/61/374975561.db2.gz GTGFFKDMKIXGMS-WMLDXEAASA-N 2 2 262.441 3.339 20 0 CGADLP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000472588394 375026364 /nfs/dbraw/zinc/02/63/64/375026364.db2.gz JJFIJIZLOJWHSA-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000472588394 375026368 /nfs/dbraw/zinc/02/63/68/375026368.db2.gz JJFIJIZLOJWHSA-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000187610683 375055554 /nfs/dbraw/zinc/05/55/54/375055554.db2.gz UBIGRIHQWIHSIS-CYBMUJFWSA-N 2 2 277.799 3.320 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000187676968 375069334 /nfs/dbraw/zinc/06/93/34/375069334.db2.gz KMUBTRHGTQFHNN-QZTJIDSGSA-N 2 2 283.419 3.373 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccccc2C)C2CC2)[C@@H](C)C1 ZINC000482944108 375173890 /nfs/dbraw/zinc/17/38/90/375173890.db2.gz GVHCVRUABMLZSN-WBAXXEDZSA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccccc2C)C2CC2)[C@@H](C)C1 ZINC000482944108 375173893 /nfs/dbraw/zinc/17/38/93/375173893.db2.gz GVHCVRUABMLZSN-WBAXXEDZSA-N 2 2 272.436 3.376 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000474606128 375118942 /nfs/dbraw/zinc/11/89/42/375118942.db2.gz JZVAZRHVMIZZTM-OAGGEKHMSA-N 2 2 263.429 3.324 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCC(C)CC1 ZINC000474604060 375119394 /nfs/dbraw/zinc/11/93/94/375119394.db2.gz QOVWMIZRLNEOGW-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC([NH3+])CC1 ZINC000034958670 296227123 /nfs/dbraw/zinc/22/71/23/296227123.db2.gz KAFKLGZODWKBTD-VIFPVBQESA-N 2 2 273.207 3.478 20 0 CGADLP CC(C)OC1CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000189526885 375404027 /nfs/dbraw/zinc/40/40/27/375404027.db2.gz LQWNOSBKEICPFY-UHFFFAOYSA-N 2 2 287.407 3.041 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CCC2 ZINC000335757822 375404113 /nfs/dbraw/zinc/40/41/13/375404113.db2.gz GHWHBBHLXNPVMZ-ZIAGYGMSSA-N 2 2 291.439 3.005 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)n1 ZINC000335757496 375404807 /nfs/dbraw/zinc/40/48/07/375404807.db2.gz KGVZJFQZODNWCM-KBPBESRZSA-N 2 2 291.464 3.047 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)n1 ZINC000335757496 375404809 /nfs/dbraw/zinc/40/48/09/375404809.db2.gz KGVZJFQZODNWCM-KBPBESRZSA-N 2 2 291.464 3.047 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121423983 542019153 /nfs/dbraw/zinc/01/91/53/542019153.db2.gz JCPYKKGZRKQBPS-YQQAZPJKSA-N 2 2 299.418 3.074 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000191543768 375638594 /nfs/dbraw/zinc/63/85/94/375638594.db2.gz OFHGMMJCPHXKJC-GJZGRUSLSA-N 2 2 270.486 3.078 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000191543768 375638600 /nfs/dbraw/zinc/63/86/00/375638600.db2.gz OFHGMMJCPHXKJC-GJZGRUSLSA-N 2 2 270.486 3.078 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCSC1 ZINC000192131387 375700589 /nfs/dbraw/zinc/70/05/89/375700589.db2.gz VWKPAMIRMWZOFQ-INIZCTEOSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCSC1 ZINC000192131387 375700591 /nfs/dbraw/zinc/70/05/91/375700591.db2.gz VWKPAMIRMWZOFQ-INIZCTEOSA-N 2 2 287.432 3.118 20 0 CGADLP CC(C)C[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507508616 375709168 /nfs/dbraw/zinc/70/91/68/375709168.db2.gz JUYPSELQYYLFML-LBPRGKRZSA-N 2 2 280.378 3.427 20 0 CGADLP Fc1cccc(F)c1C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000192301042 375727688 /nfs/dbraw/zinc/72/76/88/375727688.db2.gz XJIZXHMECQFTDF-UHFFFAOYSA-N 2 2 291.345 3.216 20 0 CGADLP Fc1cccc(F)c1C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000192301042 375727692 /nfs/dbraw/zinc/72/76/92/375727692.db2.gz XJIZXHMECQFTDF-UHFFFAOYSA-N 2 2 291.345 3.216 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000192913777 375801481 /nfs/dbraw/zinc/80/14/81/375801481.db2.gz BSQVKICTDVGLQO-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000193123077 375830277 /nfs/dbraw/zinc/83/02/77/375830277.db2.gz VVWMOSDSBTWXGC-HIFRSBDPSA-N 2 2 284.407 3.182 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000193232671 375844724 /nfs/dbraw/zinc/84/47/24/375844724.db2.gz DPLTXQWABSBODO-KRWDZBQOSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000193232671 375844730 /nfs/dbraw/zinc/84/47/30/375844730.db2.gz DPLTXQWABSBODO-KRWDZBQOSA-N 2 2 296.499 3.148 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@@H+]1C ZINC000336600958 375864567 /nfs/dbraw/zinc/86/45/67/375864567.db2.gz UTDJGYKOKZRUKZ-FZMZJTMJSA-N 2 2 273.355 3.269 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@H+]1C ZINC000336600958 375864568 /nfs/dbraw/zinc/86/45/68/375864568.db2.gz UTDJGYKOKZRUKZ-FZMZJTMJSA-N 2 2 273.355 3.269 20 0 CGADLP CCSCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000336699378 375909713 /nfs/dbraw/zinc/90/97/13/375909713.db2.gz CUFVXZZQWRHDDK-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP CCSCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000336699378 375909717 /nfs/dbraw/zinc/90/97/17/375909717.db2.gz CUFVXZZQWRHDDK-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000194057381 375955625 /nfs/dbraw/zinc/95/56/25/375955625.db2.gz IIKYEULJBPPKAF-RCBQFDQVSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000194057381 375955633 /nfs/dbraw/zinc/95/56/33/375955633.db2.gz IIKYEULJBPPKAF-RCBQFDQVSA-N 2 2 296.842 3.100 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336723806 375921296 /nfs/dbraw/zinc/92/12/96/375921296.db2.gz WOJMQEYICLGRMY-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336723806 375921298 /nfs/dbraw/zinc/92/12/98/375921298.db2.gz WOJMQEYICLGRMY-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000534972172 376009150 /nfs/dbraw/zinc/00/91/50/376009150.db2.gz LFCMPTROLLZCMJ-OAHLLOKOSA-N 2 2 275.783 3.204 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337167743 376109295 /nfs/dbraw/zinc/10/92/95/376109295.db2.gz AZARBTDGGMNGEN-XHSDSOJGSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337167743 376109303 /nfs/dbraw/zinc/10/93/03/376109303.db2.gz AZARBTDGGMNGEN-XHSDSOJGSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337175006 376116107 /nfs/dbraw/zinc/11/61/07/376116107.db2.gz HPOMVFMUKJBTAG-JKSUJKDBSA-N 2 2 277.456 3.357 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337175006 376116111 /nfs/dbraw/zinc/11/61/11/376116111.db2.gz HPOMVFMUKJBTAG-JKSUJKDBSA-N 2 2 277.456 3.357 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337175005 376116215 /nfs/dbraw/zinc/11/62/15/376116215.db2.gz HPOMVFMUKJBTAG-HZPDHXFCSA-N 2 2 277.456 3.357 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337175005 376116218 /nfs/dbraw/zinc/11/62/18/376116218.db2.gz HPOMVFMUKJBTAG-HZPDHXFCSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000212728210 376139565 /nfs/dbraw/zinc/13/95/65/376139565.db2.gz LIGXLFYKPJMSTE-JTQLQIEISA-N 2 2 267.735 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000536875871 376139749 /nfs/dbraw/zinc/13/97/49/376139749.db2.gz JHCUNVRDLXZWJF-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000536875871 376139759 /nfs/dbraw/zinc/13/97/59/376139759.db2.gz JHCUNVRDLXZWJF-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000215993490 376154594 /nfs/dbraw/zinc/15/45/94/376154594.db2.gz XYZDUKGVMNBUEY-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1Cl ZINC000215993490 376154601 /nfs/dbraw/zinc/15/46/01/376154601.db2.gz XYZDUKGVMNBUEY-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1F ZINC000538188816 376223624 /nfs/dbraw/zinc/22/36/24/376223624.db2.gz YYGWXIMQXWNSCS-TZMCWYRMSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1F ZINC000538188816 376223626 /nfs/dbraw/zinc/22/36/26/376223626.db2.gz YYGWXIMQXWNSCS-TZMCWYRMSA-N 2 2 282.378 3.490 20 0 CGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000338197669 376280602 /nfs/dbraw/zinc/28/06/02/376280602.db2.gz QOLXETHSTAINKT-OAHLLOKOSA-N 2 2 280.362 3.028 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000226330920 376353474 /nfs/dbraw/zinc/35/34/74/376353474.db2.gz WIFSAGJLAPTLGQ-SRVKXCTJSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000226330920 376353479 /nfs/dbraw/zinc/35/34/79/376353479.db2.gz WIFSAGJLAPTLGQ-SRVKXCTJSA-N 2 2 268.351 3.085 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000539051947 376287648 /nfs/dbraw/zinc/28/76/48/376287648.db2.gz QYOYWJRDERGPKW-KGLIPLIRSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000539051947 376287654 /nfs/dbraw/zinc/28/76/54/376287654.db2.gz QYOYWJRDERGPKW-KGLIPLIRSA-N 2 2 281.469 3.162 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000226448049 376360015 /nfs/dbraw/zinc/36/00/15/376360015.db2.gz IVNJKJOYPIOITA-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000226448049 376360019 /nfs/dbraw/zinc/36/00/19/376360019.db2.gz IVNJKJOYPIOITA-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157139 376361052 /nfs/dbraw/zinc/36/10/52/376361052.db2.gz BCICKJNMJCKHSL-BARLLCKDSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157139 376361059 /nfs/dbraw/zinc/36/10/59/376361059.db2.gz BCICKJNMJCKHSL-BARLLCKDSA-N 2 2 286.463 3.427 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000229187089 376458279 /nfs/dbraw/zinc/45/82/79/376458279.db2.gz FQKXVFDHXFRRCK-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000229187089 376458292 /nfs/dbraw/zinc/45/82/92/376458292.db2.gz FQKXVFDHXFRRCK-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1csc(Cl)c1 ZINC000230407972 376513163 /nfs/dbraw/zinc/51/31/63/376513163.db2.gz HNAXEJQOHOLPKF-VHSXEESVSA-N 2 2 269.801 3.337 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230660178 376525046 /nfs/dbraw/zinc/52/50/46/376525046.db2.gz WEKDPMCEDLKGGM-ZBFHGGJFSA-N 2 2 269.392 3.398 20 0 CGADLP COCCC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230863293 376543252 /nfs/dbraw/zinc/54/32/52/376543252.db2.gz MYTNVWUNGVTLSE-UHFFFAOYSA-N 2 2 287.407 3.025 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000233488313 376598291 /nfs/dbraw/zinc/59/82/91/376598291.db2.gz XCYOJRLDCSNOQA-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000233488313 376598301 /nfs/dbraw/zinc/59/83/01/376598301.db2.gz XCYOJRLDCSNOQA-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP C1=CC[C@@H](C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000236571906 376667866 /nfs/dbraw/zinc/66/78/66/376667866.db2.gz JKLNYQCLTOGANC-MRXNPFEDSA-N 2 2 294.508 3.294 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000235707777 376649003 /nfs/dbraw/zinc/64/90/03/376649003.db2.gz QWRXZEAKCRJYDP-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000235707777 376649007 /nfs/dbraw/zinc/64/90/07/376649007.db2.gz QWRXZEAKCRJYDP-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000235700742 376649856 /nfs/dbraw/zinc/64/98/56/376649856.db2.gz UBCZTEMPTNBBLV-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CCC2 ZINC000339068184 376660088 /nfs/dbraw/zinc/66/00/88/376660088.db2.gz MCMXBRGVMKQZBC-KSSFIOAISA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CCC2 ZINC000339068184 376660093 /nfs/dbraw/zinc/66/00/93/376660093.db2.gz MCMXBRGVMKQZBC-KSSFIOAISA-N 2 2 272.436 3.445 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073333 376662814 /nfs/dbraw/zinc/66/28/14/376662814.db2.gz BTNZXNTYJBUALI-RDJZCZTQSA-N 2 2 297.402 3.058 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073333 376662820 /nfs/dbraw/zinc/66/28/20/376662820.db2.gz BTNZXNTYJBUALI-RDJZCZTQSA-N 2 2 297.402 3.058 20 0 CGADLP CCC(CC)(CC)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000544042240 376697903 /nfs/dbraw/zinc/69/79/03/376697903.db2.gz VSJBJSKWQLTNKH-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000544042240 376697910 /nfs/dbraw/zinc/69/79/10/376697910.db2.gz VSJBJSKWQLTNKH-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000544042240 376697913 /nfs/dbraw/zinc/69/79/13/376697913.db2.gz VSJBJSKWQLTNKH-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP CCC(CC)(CC)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000544042240 376697919 /nfs/dbraw/zinc/69/79/19/376697919.db2.gz VSJBJSKWQLTNKH-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000339451193 376758607 /nfs/dbraw/zinc/75/86/07/376758607.db2.gz UEUTVQIDHABQPP-HPBDAGMYSA-N 2 2 272.436 3.110 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000339451193 376758611 /nfs/dbraw/zinc/75/86/11/376758611.db2.gz UEUTVQIDHABQPP-HPBDAGMYSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000339576760 376763871 /nfs/dbraw/zinc/76/38/71/376763871.db2.gz MXIDXDRNIYTBRK-MCIONIFRSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000339576760 376763875 /nfs/dbraw/zinc/76/38/75/376763875.db2.gz MXIDXDRNIYTBRK-MCIONIFRSA-N 2 2 250.430 3.028 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000545164654 376792592 /nfs/dbraw/zinc/79/25/92/376792592.db2.gz STJKMAZFBJQGNJ-UHFFFAOYSA-N 2 2 270.420 3.174 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000545164654 376792598 /nfs/dbraw/zinc/79/25/98/376792598.db2.gz STJKMAZFBJQGNJ-UHFFFAOYSA-N 2 2 270.420 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000157654878 542135581 /nfs/dbraw/zinc/13/55/81/542135581.db2.gz WCKOEWZVPCTLRE-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000157654878 542135584 /nfs/dbraw/zinc/13/55/84/542135584.db2.gz WCKOEWZVPCTLRE-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000157814455 542139884 /nfs/dbraw/zinc/13/98/84/542139884.db2.gz PMYPNPSHYIXSGR-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000157814455 542139891 /nfs/dbraw/zinc/13/98/91/542139891.db2.gz PMYPNPSHYIXSGR-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467199 376825025 /nfs/dbraw/zinc/82/50/25/376825025.db2.gz ZKKLGBZLTQZLEQ-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467199 376825035 /nfs/dbraw/zinc/82/50/35/376825035.db2.gz ZKKLGBZLTQZLEQ-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467199 376825040 /nfs/dbraw/zinc/82/50/40/376825040.db2.gz ZKKLGBZLTQZLEQ-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467199 376825045 /nfs/dbraw/zinc/82/50/45/376825045.db2.gz ZKKLGBZLTQZLEQ-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000556879616 376897885 /nfs/dbraw/zinc/89/78/85/376897885.db2.gz FYEZWKIRLOPTEH-KSZLIROESA-N 2 2 290.451 3.322 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703531 376885058 /nfs/dbraw/zinc/88/50/58/376885058.db2.gz BRLLDVLWYHICGJ-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703531 376885066 /nfs/dbraw/zinc/88/50/66/376885066.db2.gz BRLLDVLWYHICGJ-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703531 376885074 /nfs/dbraw/zinc/88/50/74/376885074.db2.gz BRLLDVLWYHICGJ-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)CC[C@H]21 ZINC000245703531 376885084 /nfs/dbraw/zinc/88/50/84/376885084.db2.gz BRLLDVLWYHICGJ-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP CO[C@@H](CC(C)C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000557258207 376925979 /nfs/dbraw/zinc/92/59/79/376925979.db2.gz FDHVBKBTJNSBOQ-INIZCTEOSA-N 2 2 291.439 3.019 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000245902618 376930062 /nfs/dbraw/zinc/93/00/62/376930062.db2.gz DUTSVPRKNANJIO-IGCXYCKISA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000245902618 376930067 /nfs/dbraw/zinc/93/00/67/376930067.db2.gz DUTSVPRKNANJIO-IGCXYCKISA-N 2 2 276.399 3.492 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340175905 376934851 /nfs/dbraw/zinc/93/48/51/376934851.db2.gz JOCBEYRNNDWWQD-ZIAGYGMSSA-N 2 2 269.392 3.500 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340256690 376966623 /nfs/dbraw/zinc/96/66/23/376966623.db2.gz HNIYMOZOODZFPW-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340256690 376966634 /nfs/dbraw/zinc/96/66/34/376966634.db2.gz HNIYMOZOODZFPW-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)C[N@@H+]1C1CC1 ZINC000340259431 376968441 /nfs/dbraw/zinc/96/84/41/376968441.db2.gz NGYUOZSBNIYJJO-YCPHGPKFSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCC3)C[N@H+]1C1CC1 ZINC000340259431 376968448 /nfs/dbraw/zinc/96/84/48/376968448.db2.gz NGYUOZSBNIYJJO-YCPHGPKFSA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C[N@@H+]1C1CC1 ZINC000340259427 376968602 /nfs/dbraw/zinc/96/86/02/376968602.db2.gz NGYUOZSBNIYJJO-IIAWOOMASA-N 2 2 262.441 3.314 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C[N@H+]1C1CC1 ZINC000340259427 376968611 /nfs/dbraw/zinc/96/86/11/376968611.db2.gz NGYUOZSBNIYJJO-IIAWOOMASA-N 2 2 262.441 3.314 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000558254579 376987945 /nfs/dbraw/zinc/98/79/45/376987945.db2.gz JLSSVKLHAQOADZ-RKVPGOIHSA-N 2 2 290.451 3.117 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000558254579 376987954 /nfs/dbraw/zinc/98/79/54/376987954.db2.gz JLSSVKLHAQOADZ-RKVPGOIHSA-N 2 2 290.451 3.117 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340303108 376992974 /nfs/dbraw/zinc/99/29/74/376992974.db2.gz VZKJETVWQPGREO-GDZNZVCISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340303108 376992983 /nfs/dbraw/zinc/99/29/83/376992983.db2.gz VZKJETVWQPGREO-GDZNZVCISA-N 2 2 258.409 3.165 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000559267832 377075008 /nfs/dbraw/zinc/07/50/08/377075008.db2.gz VKNVVYFTFPPKKA-INIZCTEOSA-N 2 2 296.430 3.290 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000559893901 377106521 /nfs/dbraw/zinc/10/65/21/377106521.db2.gz PZUHAFXPBUSARL-DOTOQJQBSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000559893901 377106528 /nfs/dbraw/zinc/10/65/28/377106528.db2.gz PZUHAFXPBUSARL-DOTOQJQBSA-N 2 2 272.436 3.285 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000247966876 377250148 /nfs/dbraw/zinc/25/01/48/377250148.db2.gz IBPOPAPYNSNIBF-RYQLBKOJSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000562519469 377321204 /nfs/dbraw/zinc/32/12/04/377321204.db2.gz LHROXSSJKBWCJL-OWCLPIDISA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248589975 377359532 /nfs/dbraw/zinc/35/95/32/377359532.db2.gz ZCIGBINAUVCATH-RYUDHWBXSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248589975 377359537 /nfs/dbraw/zinc/35/95/37/377359537.db2.gz ZCIGBINAUVCATH-RYUDHWBXSA-N 2 2 284.806 3.424 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563136198 377408002 /nfs/dbraw/zinc/40/80/02/377408002.db2.gz IPIFQRHLZIJUSZ-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563136198 377408012 /nfs/dbraw/zinc/40/80/12/377408012.db2.gz IPIFQRHLZIJUSZ-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119960 249017234 /nfs/dbraw/zinc/01/72/34/249017234.db2.gz LRNZMAUHSVBIHD-ZWKOTPCHSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119960 249017236 /nfs/dbraw/zinc/01/72/36/249017236.db2.gz LRNZMAUHSVBIHD-ZWKOTPCHSA-N 2 2 272.436 3.429 20 0 CGADLP CCC(CC)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163517264 542167403 /nfs/dbraw/zinc/16/74/03/542167403.db2.gz IXENPPMOYOZLJG-UHFFFAOYSA-N 2 2 296.378 3.059 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313290838 249090906 /nfs/dbraw/zinc/09/09/06/249090906.db2.gz FPIBTKWKEFEWOX-AWEZNQCLSA-N 2 2 271.408 3.266 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]2CC2(C)C)cc1 ZINC000515470178 249212531 /nfs/dbraw/zinc/21/25/31/249212531.db2.gz LOFKQAQMEZZBRQ-XKQJLSEDSA-N 2 2 290.451 3.322 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578811 249215962 /nfs/dbraw/zinc/21/59/62/249215962.db2.gz VHDMSQBPGXDOMA-RBSFLKMASA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578811 249215963 /nfs/dbraw/zinc/21/59/63/249215963.db2.gz VHDMSQBPGXDOMA-RBSFLKMASA-N 2 2 250.430 3.124 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000515658463 249217843 /nfs/dbraw/zinc/21/78/43/249217843.db2.gz ZZYALECCJKNHPE-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000515658463 249217846 /nfs/dbraw/zinc/21/78/46/249217846.db2.gz ZZYALECCJKNHPE-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000515658463 249217847 /nfs/dbraw/zinc/21/78/47/249217847.db2.gz ZZYALECCJKNHPE-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC000515658463 249217850 /nfs/dbraw/zinc/21/78/50/249217850.db2.gz ZZYALECCJKNHPE-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP CC(C)(C)c1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000265465000 190184408 /nfs/dbraw/zinc/18/44/08/190184408.db2.gz GSPYRSSELVCCJB-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000516117347 249226307 /nfs/dbraw/zinc/22/63/07/249226307.db2.gz BICLIMYUCKGWDP-HIFRSBDPSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000516117347 249226309 /nfs/dbraw/zinc/22/63/09/249226309.db2.gz BICLIMYUCKGWDP-HIFRSBDPSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000516117347 249226312 /nfs/dbraw/zinc/22/63/12/249226312.db2.gz BICLIMYUCKGWDP-HIFRSBDPSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000516117347 249226315 /nfs/dbraw/zinc/22/63/15/249226315.db2.gz BICLIMYUCKGWDP-HIFRSBDPSA-N 2 2 295.496 3.114 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@H](C1CC1)[NH+](C)C ZINC000516177269 249227316 /nfs/dbraw/zinc/22/73/16/249227316.db2.gz ATXNBEYMUWKYRT-MRXNPFEDSA-N 2 2 269.392 3.295 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000251497015 377584466 /nfs/dbraw/zinc/58/44/66/377584466.db2.gz KFIDERKSGAXZPY-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000251497015 377584475 /nfs/dbraw/zinc/58/44/75/377584475.db2.gz KFIDERKSGAXZPY-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000251788102 377597982 /nfs/dbraw/zinc/59/79/82/377597982.db2.gz NHFZEEBBHDIIDE-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000251788102 377597990 /nfs/dbraw/zinc/59/79/90/377597990.db2.gz NHFZEEBBHDIIDE-NOZJJQNGSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C2=CCCCC2)n1C ZINC000574099641 377619223 /nfs/dbraw/zinc/61/92/23/377619223.db2.gz NFZMQAGMJFVMNE-UHFFFAOYSA-N 2 2 261.413 3.345 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000574146944 377626627 /nfs/dbraw/zinc/62/66/27/377626627.db2.gz UWHYPBLHRAPFKJ-OAHLLOKOSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000574146944 377626630 /nfs/dbraw/zinc/62/66/30/377626630.db2.gz UWHYPBLHRAPFKJ-OAHLLOKOSA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252711196 377654479 /nfs/dbraw/zinc/65/44/79/377654479.db2.gz IUTGSZRQHGIACI-FQLMCAECSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252711196 377654485 /nfs/dbraw/zinc/65/44/85/377654485.db2.gz IUTGSZRQHGIACI-FQLMCAECSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252714469 377655410 /nfs/dbraw/zinc/65/54/10/377655410.db2.gz SBIPIJAJNRDHSH-SEBNEYGDSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252714469 377655419 /nfs/dbraw/zinc/65/54/19/377655419.db2.gz SBIPIJAJNRDHSH-SEBNEYGDSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000575083414 377746988 /nfs/dbraw/zinc/74/69/88/377746988.db2.gz LCHAEBYBNQHQKA-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000575083414 377746995 /nfs/dbraw/zinc/74/69/95/377746995.db2.gz LCHAEBYBNQHQKA-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000342747789 377773773 /nfs/dbraw/zinc/77/37/73/377773773.db2.gz WKEIQPFFYGGBCU-KCXAZCMYSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000342747789 377773778 /nfs/dbraw/zinc/77/37/78/377773778.db2.gz WKEIQPFFYGGBCU-KCXAZCMYSA-N 2 2 264.388 3.349 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000261558232 377815942 /nfs/dbraw/zinc/81/59/42/377815942.db2.gz DATIWZAISLHVKJ-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000261558232 377815948 /nfs/dbraw/zinc/81/59/48/377815948.db2.gz DATIWZAISLHVKJ-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261572101 377819280 /nfs/dbraw/zinc/81/92/80/377819280.db2.gz ABTJGBWKUFOXIA-KGYLQXTDSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261572101 377819288 /nfs/dbraw/zinc/81/92/88/377819288.db2.gz ABTJGBWKUFOXIA-KGYLQXTDSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261579266 377820393 /nfs/dbraw/zinc/82/03/93/377820393.db2.gz PKBWPSQNAHDHDG-OSAQELSMSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261579266 377820402 /nfs/dbraw/zinc/82/04/02/377820402.db2.gz PKBWPSQNAHDHDG-OSAQELSMSA-N 2 2 264.800 3.085 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261580023 377820692 /nfs/dbraw/zinc/82/06/92/377820692.db2.gz PXAAYMLHWHXRJV-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261580023 377820701 /nfs/dbraw/zinc/82/07/01/377820701.db2.gz PXAAYMLHWHXRJV-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@H]1[NH3+] ZINC000262022356 377880154 /nfs/dbraw/zinc/88/01/54/377880154.db2.gz NHXPXJCYCYHPPF-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@H]1[NH3+] ZINC000262022356 377880155 /nfs/dbraw/zinc/88/01/55/377880155.db2.gz NHXPXJCYCYHPPF-IAQYHMDHSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@H]1[NH3+] ZINC000262142820 377889009 /nfs/dbraw/zinc/88/90/09/377889009.db2.gz ZFOHARMXZRQSQN-SWLSCSKDSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@H]1[NH3+] ZINC000262142820 377889014 /nfs/dbraw/zinc/88/90/14/377889014.db2.gz ZFOHARMXZRQSQN-SWLSCSKDSA-N 2 2 272.417 3.194 20 0 CGADLP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2c(Cl)cccc12 ZINC000342863635 377847287 /nfs/dbraw/zinc/84/72/87/377847287.db2.gz AYGGLOIBWYHQPI-UHFFFAOYSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1F ZINC000261730533 377847281 /nfs/dbraw/zinc/84/72/81/377847281.db2.gz OFMSBGUARAWGSQ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1F ZINC000261730533 377847290 /nfs/dbraw/zinc/84/72/90/377847290.db2.gz OFMSBGUARAWGSQ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100728 377902955 /nfs/dbraw/zinc/90/29/55/377902955.db2.gz GEKOFEDRRXAASR-NHYWBVRUSA-N 2 2 275.783 3.202 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000343461229 377987563 /nfs/dbraw/zinc/98/75/63/377987563.db2.gz WFJJHUPNKFDMAP-IRXDYDNUSA-N 2 2 289.467 3.346 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000343461229 377987571 /nfs/dbraw/zinc/98/75/71/377987571.db2.gz WFJJHUPNKFDMAP-IRXDYDNUSA-N 2 2 289.467 3.346 20 0 CGADLP Cc1cc[nH+]c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000268303339 378052490 /nfs/dbraw/zinc/05/24/90/378052490.db2.gz HRPGWAGYCULBHF-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC(C)C)CC1 ZINC000578282078 378053648 /nfs/dbraw/zinc/05/36/48/378053648.db2.gz RKWHEBYRQYXMRA-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)[C@@H]1CC[NH2+]C1 ZINC000577952718 378025276 /nfs/dbraw/zinc/02/52/76/378025276.db2.gz XLDASPDIRPSHQS-CYBMUJFWSA-N 2 2 290.407 3.348 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)[C@@H]1CC[NH2+]C1 ZINC000577952718 378025281 /nfs/dbraw/zinc/02/52/81/378025281.db2.gz XLDASPDIRPSHQS-CYBMUJFWSA-N 2 2 290.407 3.348 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C(C)C)CC2)n1C ZINC000578787048 378101199 /nfs/dbraw/zinc/10/11/99/378101199.db2.gz AJAORPCGFUUOIR-GJZGRUSLSA-N 2 2 263.429 3.423 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H](c1ccccc1)[NH+](C)C ZINC000579378972 378155731 /nfs/dbraw/zinc/15/57/31/378155731.db2.gz JHIFEIJMHBIEFI-PFPDTZPXSA-N 2 2 272.436 3.456 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000344113766 378158868 /nfs/dbraw/zinc/15/88/68/378158868.db2.gz MOZGQMMFXVSJHC-KZNAEPCWSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000344113766 378158871 /nfs/dbraw/zinc/15/88/71/378158871.db2.gz MOZGQMMFXVSJHC-KZNAEPCWSA-N 2 2 288.410 3.420 20 0 CGADLP F[C@]1(c2ccccc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000580098562 378225701 /nfs/dbraw/zinc/22/57/01/378225701.db2.gz MNIPLGJBZBYZTG-GOSISDBHSA-N 2 2 290.426 3.433 20 0 CGADLP F[C@]1(c2ccccc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000580098562 378225707 /nfs/dbraw/zinc/22/57/07/378225707.db2.gz MNIPLGJBZBYZTG-GOSISDBHSA-N 2 2 290.426 3.433 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000580129216 378226232 /nfs/dbraw/zinc/22/62/32/378226232.db2.gz QQIOZFFHZIIEGS-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000580129216 378226236 /nfs/dbraw/zinc/22/62/36/378226236.db2.gz QQIOZFFHZIIEGS-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000584002053 378365731 /nfs/dbraw/zinc/36/57/31/378365731.db2.gz KIDZTHXFNMMPBQ-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccccc2C1(C)C ZINC000584002053 378365736 /nfs/dbraw/zinc/36/57/36/378365736.db2.gz KIDZTHXFNMMPBQ-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP CC[C@@H](O)C[N@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000583690771 378340383 /nfs/dbraw/zinc/34/03/83/378340383.db2.gz GGIPGTVOEFZCJP-LJQANCHMSA-N 2 2 298.430 3.206 20 0 CGADLP CC[C@@H](O)C[N@@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000583690771 378340387 /nfs/dbraw/zinc/34/03/87/378340387.db2.gz GGIPGTVOEFZCJP-LJQANCHMSA-N 2 2 298.430 3.206 20 0 CGADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000270858812 378407211 /nfs/dbraw/zinc/40/72/11/378407211.db2.gz JOVDDSPDKFRQRS-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000270858812 378407216 /nfs/dbraw/zinc/40/72/16/378407216.db2.gz JOVDDSPDKFRQRS-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000271137323 378459507 /nfs/dbraw/zinc/45/95/07/378459507.db2.gz UOQWFEZZISNXSB-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000271137323 378459513 /nfs/dbraw/zinc/45/95/13/378459513.db2.gz UOQWFEZZISNXSB-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000346090329 378460155 /nfs/dbraw/zinc/46/01/55/378460155.db2.gz DSNSYSHMLFKCLR-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000346090329 378460159 /nfs/dbraw/zinc/46/01/59/378460159.db2.gz DSNSYSHMLFKCLR-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cscn1 ZINC000271183055 378474972 /nfs/dbraw/zinc/47/49/72/378474972.db2.gz WFSNGOXVBFGTJX-LBPRGKRZSA-N 2 2 276.409 3.081 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)CC12CC3CC(CC(C3)C1)C2 ZINC000346235559 378514800 /nfs/dbraw/zinc/51/48/00/378514800.db2.gz LNWPMEFRXVSTNL-UHFFFAOYSA-N 2 2 273.424 3.031 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)CC12CC3CC(CC(C3)C1)C2 ZINC000346235559 378514804 /nfs/dbraw/zinc/51/48/04/378514804.db2.gz LNWPMEFRXVSTNL-UHFFFAOYSA-N 2 2 273.424 3.031 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@@H+]1C ZINC000346329471 378546563 /nfs/dbraw/zinc/54/65/63/378546563.db2.gz MZDRSDIFJXKXKS-WNZJFKNXSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@H+]1C ZINC000346329471 378546566 /nfs/dbraw/zinc/54/65/66/378546566.db2.gz MZDRSDIFJXKXKS-WNZJFKNXSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000346469380 378586719 /nfs/dbraw/zinc/58/67/19/378586719.db2.gz BCULUUWQACXEJM-ZNMIVQPWSA-N 2 2 294.464 3.042 20 0 CGADLP COC(C)(C)CC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501479 378597631 /nfs/dbraw/zinc/59/76/31/378597631.db2.gz OYEUVXKKSWDQSV-OWCLPIDISA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501479 378597637 /nfs/dbraw/zinc/59/76/37/378597637.db2.gz OYEUVXKKSWDQSV-OWCLPIDISA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501479 378597644 /nfs/dbraw/zinc/59/76/44/378597644.db2.gz OYEUVXKKSWDQSV-OWCLPIDISA-N 2 2 282.472 3.139 20 0 CGADLP COC(C)(C)CC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000346501479 378597649 /nfs/dbraw/zinc/59/76/49/378597649.db2.gz OYEUVXKKSWDQSV-OWCLPIDISA-N 2 2 282.472 3.139 20 0 CGADLP CCC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272343417 378616741 /nfs/dbraw/zinc/61/67/41/378616741.db2.gz ZXYSQSMGBSYPRY-AWEZNQCLSA-N 2 2 290.455 3.213 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641398 378657683 /nfs/dbraw/zinc/65/76/83/378657683.db2.gz LYSQYYAFPRGFEZ-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641398 378657691 /nfs/dbraw/zinc/65/76/91/378657691.db2.gz LYSQYYAFPRGFEZ-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346660662 378666591 /nfs/dbraw/zinc/66/65/91/378666591.db2.gz SIAQSZCXAKNGEZ-KSSFIOAISA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346660662 378666595 /nfs/dbraw/zinc/66/65/95/378666595.db2.gz SIAQSZCXAKNGEZ-KSSFIOAISA-N 2 2 284.403 3.341 20 0 CGADLP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000346665819 378667695 /nfs/dbraw/zinc/66/76/95/378667695.db2.gz BQJPVPHCKIRRNC-GOEBONIOSA-N 2 2 287.407 3.018 20 0 CGADLP Cn1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000638017666 378668794 /nfs/dbraw/zinc/66/87/94/378668794.db2.gz IMGWPPMXVGUHAX-MRXNPFEDSA-N 2 2 294.402 3.212 20 0 CGADLP Cn1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000638017666 378668798 /nfs/dbraw/zinc/66/87/98/378668798.db2.gz IMGWPPMXVGUHAX-MRXNPFEDSA-N 2 2 294.402 3.212 20 0 CGADLP Cn1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000638017665 378668833 /nfs/dbraw/zinc/66/88/33/378668833.db2.gz IMGWPPMXVGUHAX-INIZCTEOSA-N 2 2 294.402 3.212 20 0 CGADLP Cn1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2ccccc21 ZINC000638017665 378668840 /nfs/dbraw/zinc/66/88/40/378668840.db2.gz IMGWPPMXVGUHAX-INIZCTEOSA-N 2 2 294.402 3.212 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272595696 378673750 /nfs/dbraw/zinc/67/37/50/378673750.db2.gz UINXDKVNMKRBKT-STQMWFEESA-N 2 2 296.374 3.492 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272595696 378673754 /nfs/dbraw/zinc/67/37/54/378673754.db2.gz UINXDKVNMKRBKT-STQMWFEESA-N 2 2 296.374 3.492 20 0 CGADLP CO[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000637950682 378642949 /nfs/dbraw/zinc/64/29/49/378642949.db2.gz FEAVFYBAJIEYCU-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000637950682 378642951 /nfs/dbraw/zinc/64/29/51/378642951.db2.gz FEAVFYBAJIEYCU-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347923583 378730270 /nfs/dbraw/zinc/73/02/70/378730270.db2.gz OLIDAPHDOYAWDH-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000347923583 378730274 /nfs/dbraw/zinc/73/02/74/378730274.db2.gz OLIDAPHDOYAWDH-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000638308093 378764581 /nfs/dbraw/zinc/76/45/81/378764581.db2.gz IJFJNDZZPNCAAH-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000638308093 378764587 /nfs/dbraw/zinc/76/45/87/378764587.db2.gz IJFJNDZZPNCAAH-UHFFFAOYSA-N 2 2 299.418 3.164 20 0 CGADLP CCC(CC)(CC(=O)OC)[NH2+]CCCc1c[nH+]ccc1C ZINC000348050893 378768678 /nfs/dbraw/zinc/76/86/78/378768678.db2.gz ZPXILEAAIJKNPL-UHFFFAOYSA-N 2 2 292.423 3.034 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000348099643 378792236 /nfs/dbraw/zinc/79/22/36/378792236.db2.gz CFYARGHTOZBFIG-SJORKVTESA-N 2 2 283.419 3.252 20 0 CGADLP CCc1ccc[nH+]c1NCCCc1c[nH+]ccc1C ZINC000348110976 378796597 /nfs/dbraw/zinc/79/65/97/378796597.db2.gz GTYNHVIQVIGGLH-UHFFFAOYSA-N 2 2 255.365 3.392 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1F ZINC000348186088 378829671 /nfs/dbraw/zinc/82/96/71/378829671.db2.gz LRCOOXBLOBZAFY-DOMZBBRYSA-N 2 2 273.355 3.078 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1nccs1 ZINC000348126299 378802136 /nfs/dbraw/zinc/80/21/36/378802136.db2.gz ZKZWKDHWTWKASX-UHFFFAOYSA-N 2 2 275.421 3.002 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)s1 ZINC000346798611 218016383 /nfs/dbraw/zinc/01/63/83/218016383.db2.gz PUGJMJJQJGGNAL-SGMGOOAPSA-N 2 2 266.454 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)s1 ZINC000346798611 218016386 /nfs/dbraw/zinc/01/63/86/218016386.db2.gz PUGJMJJQJGGNAL-SGMGOOAPSA-N 2 2 266.454 3.444 20 0 CGADLP CO[C@H](C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000638601123 378846515 /nfs/dbraw/zinc/84/65/15/378846515.db2.gz KFXLMVRRDDFESI-RHSMWYFYSA-N 2 2 290.451 3.130 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348242847 378861330 /nfs/dbraw/zinc/86/13/30/378861330.db2.gz LDCNAMBIRQPVJT-ROUUACIJSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348318521 378903584 /nfs/dbraw/zinc/90/35/84/378903584.db2.gz YLSGVSXLYIODSR-LEWSCRJBSA-N 2 2 277.318 3.177 20 0 CGADLP Cc1ccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000346950150 218066865 /nfs/dbraw/zinc/06/68/65/218066865.db2.gz BTINODOKJKBWKY-INIZCTEOSA-N 2 2 298.434 3.045 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1(c2ccccc2)CCCC1 ZINC000274998232 378924256 /nfs/dbraw/zinc/92/42/56/378924256.db2.gz PCHWKTGPIVAVRZ-MRXNPFEDSA-N 2 2 283.419 3.373 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348340751 378916888 /nfs/dbraw/zinc/91/68/88/378916888.db2.gz XMZWGJKYNWUTSS-RDJZCZTQSA-N 2 2 290.426 3.379 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348340751 378916893 /nfs/dbraw/zinc/91/68/93/378916893.db2.gz XMZWGJKYNWUTSS-RDJZCZTQSA-N 2 2 290.426 3.379 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1SC ZINC000346998398 218085685 /nfs/dbraw/zinc/08/56/85/218085685.db2.gz CUWWQJMKMISFPN-GXTWGEPZSA-N 2 2 294.464 3.119 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1SC ZINC000346998398 218085687 /nfs/dbraw/zinc/08/56/87/218085687.db2.gz CUWWQJMKMISFPN-GXTWGEPZSA-N 2 2 294.464 3.119 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000638903069 378948994 /nfs/dbraw/zinc/94/89/94/378948994.db2.gz SUYVMULIWSPYFZ-IRXDYDNUSA-N 2 2 294.483 3.212 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308475 378954679 /nfs/dbraw/zinc/95/46/79/378954679.db2.gz RDRVPFOFXFXNLK-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308475 378954685 /nfs/dbraw/zinc/95/46/85/378954685.db2.gz RDRVPFOFXFXNLK-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)s1 ZINC000275308475 378954691 /nfs/dbraw/zinc/95/46/91/378954691.db2.gz RDRVPFOFXFXNLK-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)s1 ZINC000275308475 378954696 /nfs/dbraw/zinc/95/46/96/378954696.db2.gz RDRVPFOFXFXNLK-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000347057467 218108565 /nfs/dbraw/zinc/10/85/65/218108565.db2.gz WBEMEHIVDWXPHH-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000347057467 218108568 /nfs/dbraw/zinc/10/85/68/218108568.db2.gz WBEMEHIVDWXPHH-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347152794 218138656 /nfs/dbraw/zinc/13/86/56/218138656.db2.gz BFXDUHBIUMWRKQ-KRWDZBQOSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347152794 218138658 /nfs/dbraw/zinc/13/86/58/218138658.db2.gz BFXDUHBIUMWRKQ-KRWDZBQOSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000370246632 378998462 /nfs/dbraw/zinc/99/84/62/378998462.db2.gz HHUICHXOVDTFLH-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP C(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C[C@@H]1CCO1 ZINC000639137255 379063015 /nfs/dbraw/zinc/06/30/15/379063015.db2.gz VNVCGLJZRZQSRO-QGZVFWFLSA-N 2 2 294.483 3.191 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000277196618 379094262 /nfs/dbraw/zinc/09/42/62/379094262.db2.gz JCJDEXFQISAABT-KGLIPLIRSA-N 2 2 279.453 3.003 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349135801 379167057 /nfs/dbraw/zinc/16/70/57/379167057.db2.gz YUDQAAPEBQNXQE-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349135801 379167066 /nfs/dbraw/zinc/16/70/66/379167066.db2.gz YUDQAAPEBQNXQE-OWCLPIDISA-N 2 2 275.440 3.426 20 0 CGADLP C/C(=C/c1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349370731 379254305 /nfs/dbraw/zinc/25/43/05/379254305.db2.gz RYWOLGOZPWPZLI-SSZFMOIBSA-N 2 2 269.392 3.309 20 0 CGADLP C/C(=C/c1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349370731 379254310 /nfs/dbraw/zinc/25/43/10/379254310.db2.gz RYWOLGOZPWPZLI-SSZFMOIBSA-N 2 2 269.392 3.309 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc(F)c2F)c[nH+]1 ZINC000639371954 379328096 /nfs/dbraw/zinc/32/80/96/379328096.db2.gz OJHOMCDAPGWSHY-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2sccc2OC)CC1 ZINC000639380351 379339507 /nfs/dbraw/zinc/33/95/07/379339507.db2.gz XSHPPNPFMLATPN-UHFFFAOYSA-N 2 2 282.453 3.063 20 0 CGADLP FCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000639382509 379342162 /nfs/dbraw/zinc/34/21/62/379342162.db2.gz ZCGWSTAACMLIIK-UHFFFAOYSA-N 2 2 287.382 3.444 20 0 CGADLP CC(C)C[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347592159 218282467 /nfs/dbraw/zinc/28/24/67/218282467.db2.gz QNAOAPNUPPSRLH-ZDUSSCGKSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)C[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347592159 218282468 /nfs/dbraw/zinc/28/24/68/218282468.db2.gz QNAOAPNUPPSRLH-ZDUSSCGKSA-N 2 2 281.469 3.215 20 0 CGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]C[C@@H]2CCSC2)cc1 ZINC000278334592 379352641 /nfs/dbraw/zinc/35/26/41/379352641.db2.gz GQXUKZXXSBXKKZ-RDJZCZTQSA-N 2 2 290.476 3.166 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000639450211 379397537 /nfs/dbraw/zinc/39/75/37/379397537.db2.gz JSQXXZMSBHBORK-UHFFFAOYSA-N 2 2 299.418 3.176 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000639600150 379499535 /nfs/dbraw/zinc/49/95/35/379499535.db2.gz QLDBDRGHLOQRGY-RHSMWYFYSA-N 2 2 299.418 3.338 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000279824156 379528217 /nfs/dbraw/zinc/52/82/17/379528217.db2.gz BSFAQXJCCNOVGW-UHFFFAOYSA-N 2 2 288.366 3.270 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657610 218310187 /nfs/dbraw/zinc/31/01/87/218310187.db2.gz VNHMSLKNZXUTNQ-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347657610 218310189 /nfs/dbraw/zinc/31/01/89/218310189.db2.gz VNHMSLKNZXUTNQ-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000570536131 322276162 /nfs/dbraw/zinc/27/61/62/322276162.db2.gz GSYNXODNYVLWCR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000570536131 322276163 /nfs/dbraw/zinc/27/61/63/322276163.db2.gz GSYNXODNYVLWCR-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834062 379748533 /nfs/dbraw/zinc/74/85/33/379748533.db2.gz IRFNFQOYQSLYQO-MEDUHNTESA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834062 379748542 /nfs/dbraw/zinc/74/85/42/379748542.db2.gz IRFNFQOYQSLYQO-MEDUHNTESA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834062 379748548 /nfs/dbraw/zinc/74/85/48/379748548.db2.gz IRFNFQOYQSLYQO-MEDUHNTESA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834062 379748557 /nfs/dbraw/zinc/74/85/57/379748557.db2.gz IRFNFQOYQSLYQO-MEDUHNTESA-N 2 2 298.352 3.020 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CC34CCC(CC3)C4)CC2)[nH]1 ZINC000347737080 218340779 /nfs/dbraw/zinc/34/07/79/218340779.db2.gz OYIYEDMCLMRDCO-UHFFFAOYSA-N 2 2 259.397 3.169 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2OC)CC1 ZINC000352311631 379762681 /nfs/dbraw/zinc/76/26/81/379762681.db2.gz XLLQUPKEPLBEIZ-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2OC)CC1 ZINC000352311631 379762685 /nfs/dbraw/zinc/76/26/85/379762685.db2.gz XLLQUPKEPLBEIZ-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000347733289 218339660 /nfs/dbraw/zinc/33/96/60/218339660.db2.gz OYLLJXROVYLPGI-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347733289 218339662 /nfs/dbraw/zinc/33/96/62/218339662.db2.gz OYLLJXROVYLPGI-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP C(=C/[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000378603319 379844994 /nfs/dbraw/zinc/84/49/94/379844994.db2.gz ZIGKQRSUXFCPJP-QZEKMECESA-N 2 2 281.403 3.451 20 0 CGADLP C(=C/[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000378603319 379844999 /nfs/dbraw/zinc/84/49/99/379844999.db2.gz ZIGKQRSUXFCPJP-QZEKMECESA-N 2 2 281.403 3.451 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1csc(C2CC2)n1)CC1CCCC1 ZINC000352534582 379846102 /nfs/dbraw/zinc/84/61/02/379846102.db2.gz IDNPVSJWUVCSOF-UHFFFAOYSA-N 2 2 293.480 3.362 20 0 CGADLP [NH3+]CCC[N@H+](Cc1csc(C2CC2)n1)CC1CCCC1 ZINC000352534582 379846107 /nfs/dbraw/zinc/84/61/07/379846107.db2.gz IDNPVSJWUVCSOF-UHFFFAOYSA-N 2 2 293.480 3.362 20 0 CGADLP CCC(F)(F)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640535083 379819712 /nfs/dbraw/zinc/81/97/12/379819712.db2.gz ZWQLNNGYEQPZDK-UHFFFAOYSA-N 2 2 262.388 3.230 20 0 CGADLP CCC(F)(F)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640535083 379819720 /nfs/dbraw/zinc/81/97/20/379819720.db2.gz ZWQLNNGYEQPZDK-UHFFFAOYSA-N 2 2 262.388 3.230 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)oc1C ZINC000282322508 379899062 /nfs/dbraw/zinc/89/90/62/379899062.db2.gz UKEYDNJYYFDQHF-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000352793078 379963645 /nfs/dbraw/zinc/96/36/45/379963645.db2.gz DCKHELSAVGILOL-HOCLYGCPSA-N 2 2 273.424 3.466 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398975516 379933319 /nfs/dbraw/zinc/93/33/19/379933319.db2.gz YQNXKAJMCYXULU-SGMGOOAPSA-N 2 2 264.438 3.200 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000352868279 380013106 /nfs/dbraw/zinc/01/31/06/380013106.db2.gz CSFFZDMCQVYDSP-UKRRQHHQSA-N 2 2 250.430 3.053 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000641717272 380059231 /nfs/dbraw/zinc/05/92/31/380059231.db2.gz CSFNNBFIWBMSEY-ZDUSSCGKSA-N 2 2 282.453 3.212 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)o1 ZINC000641717272 380059234 /nfs/dbraw/zinc/05/92/34/380059234.db2.gz CSFNNBFIWBMSEY-ZDUSSCGKSA-N 2 2 282.453 3.212 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000410345051 380088903 /nfs/dbraw/zinc/08/89/03/380088903.db2.gz NLCVKFCVAKRDSR-CVEARBPZSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000410345051 380088910 /nfs/dbraw/zinc/08/89/10/380088910.db2.gz NLCVKFCVAKRDSR-CVEARBPZSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1ccc(C(C)(C)[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000353158543 380145548 /nfs/dbraw/zinc/14/55/48/380145548.db2.gz WJODJXAEWJIKSL-UHFFFAOYSA-N 2 2 280.375 3.063 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066494 380100634 /nfs/dbraw/zinc/10/06/34/380100634.db2.gz MRFRWGOQOVBLQG-SQNIBIBYSA-N 2 2 280.371 3.091 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066494 380100640 /nfs/dbraw/zinc/10/06/40/380100640.db2.gz MRFRWGOQOVBLQG-SQNIBIBYSA-N 2 2 280.371 3.091 20 0 CGADLP CC(C)C(C[NH2+]Cc1cccnc1-n1cc[nH+]c1)C(C)C ZINC000283962479 380109269 /nfs/dbraw/zinc/10/92/69/380109269.db2.gz NCXRXAARGKINHN-UHFFFAOYSA-N 2 2 286.423 3.285 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000641799881 380111565 /nfs/dbraw/zinc/11/15/65/380111565.db2.gz RXHBHHOGRGXSSJ-OAHLLOKOSA-N 2 2 287.407 3.113 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000353250262 380189484 /nfs/dbraw/zinc/18/94/84/380189484.db2.gz BYRWINRZMCJKDX-PBHICJAKSA-N 2 2 290.451 3.033 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000353250262 380189488 /nfs/dbraw/zinc/18/94/88/380189488.db2.gz BYRWINRZMCJKDX-PBHICJAKSA-N 2 2 290.451 3.033 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000353253773 380191135 /nfs/dbraw/zinc/19/11/35/380191135.db2.gz VUYKTHHVUQYPQK-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000353253773 380191138 /nfs/dbraw/zinc/19/11/38/380191138.db2.gz VUYKTHHVUQYPQK-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000353970979 380257482 /nfs/dbraw/zinc/25/74/82/380257482.db2.gz HLVMRGOZUDUHIN-CVEARBPZSA-N 2 2 289.467 3.278 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000353970979 380257490 /nfs/dbraw/zinc/25/74/90/380257490.db2.gz HLVMRGOZUDUHIN-CVEARBPZSA-N 2 2 289.467 3.278 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1c(F)cncc1F ZINC000353923426 380237727 /nfs/dbraw/zinc/23/77/27/380237727.db2.gz QEQHKZIXBMPZQG-NSHDSACASA-N 2 2 297.393 3.273 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)[NH+]2CCCCC2)c[nH+]1 ZINC000353932574 380242076 /nfs/dbraw/zinc/24/20/76/380242076.db2.gz MYTGGVNXKZIBJA-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1F ZINC000353932464 380242211 /nfs/dbraw/zinc/24/22/11/380242211.db2.gz SPTZFTCKAXTCAS-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP COc1ccccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353931303 380242966 /nfs/dbraw/zinc/24/29/66/380242966.db2.gz IVDCDLKKJPMWDG-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000643501299 380322974 /nfs/dbraw/zinc/32/29/74/380322974.db2.gz CHXYUFWBVWAKHR-GXTWGEPZSA-N 2 2 298.377 3.471 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000643500980 380323174 /nfs/dbraw/zinc/32/31/74/380323174.db2.gz MLFKOLQKJATHQJ-VXGBXAGGSA-N 2 2 252.427 3.103 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2n1 ZINC000643501685 380325180 /nfs/dbraw/zinc/32/51/80/380325180.db2.gz NZRHSRVTDNSIKY-ZFWWWQNUSA-N 2 2 269.392 3.028 20 0 CGADLP c1ccc([C@@H](CC2CCC2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506778 380328045 /nfs/dbraw/zinc/32/80/45/380328045.db2.gz IHVAQEFNLWNADG-QGZVFWFLSA-N 2 2 258.409 3.260 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c2ccccc21 ZINC000643507784 380330734 /nfs/dbraw/zinc/33/07/34/380330734.db2.gz PJWADIGHTRJDSG-LBPRGKRZSA-N 2 2 272.367 3.382 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000643508610 380331838 /nfs/dbraw/zinc/33/18/38/380331838.db2.gz MDJARUICPLUUSG-SJKOYZFVSA-N 2 2 286.423 3.192 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508822 380332418 /nfs/dbraw/zinc/33/24/18/380332418.db2.gz AJYDTGHTSFGGBP-PBHICJAKSA-N 2 2 284.403 3.354 20 0 CGADLP CO[C@](C)([C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000414497812 380273917 /nfs/dbraw/zinc/27/39/17/380273917.db2.gz GTXSOCWTQHHTHD-RHSMWYFYSA-N 2 2 276.424 3.116 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccnc2)cc1 ZINC000643461768 380311982 /nfs/dbraw/zinc/31/19/82/380311982.db2.gz OLIZDEUZARPLJD-ROUUACIJSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)s1 ZINC000643548017 380363716 /nfs/dbraw/zinc/36/37/16/380363716.db2.gz LTXMZYGLOUZUGB-MFKMUULPSA-N 2 2 279.453 3.085 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000414741374 380391652 /nfs/dbraw/zinc/39/16/52/380391652.db2.gz KSTFIHOUOXKOCB-KRWDZBQOSA-N 2 2 260.425 3.038 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000414741374 380391661 /nfs/dbraw/zinc/39/16/61/380391661.db2.gz KSTFIHOUOXKOCB-KRWDZBQOSA-N 2 2 260.425 3.038 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2s1 ZINC000414769436 380397274 /nfs/dbraw/zinc/39/72/74/380397274.db2.gz NLKXVAJNVKLAOG-FZMZJTMJSA-N 2 2 289.448 3.164 20 0 CGADLP CCCC[NH+]1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354158311 380348041 /nfs/dbraw/zinc/34/80/41/380348041.db2.gz OLHIBHXQSKRQJC-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167412 380351920 /nfs/dbraw/zinc/35/19/20/380351920.db2.gz QIEZAMSYCKMOIL-QGPMSJSTSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167412 380351930 /nfs/dbraw/zinc/35/19/30/380351930.db2.gz QIEZAMSYCKMOIL-QGPMSJSTSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354167412 380351931 /nfs/dbraw/zinc/35/19/31/380351931.db2.gz QIEZAMSYCKMOIL-QGPMSJSTSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000354167412 380351937 /nfs/dbraw/zinc/35/19/37/380351937.db2.gz QIEZAMSYCKMOIL-QGPMSJSTSA-N 2 2 288.435 3.321 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2ccccc2o1 ZINC000643537803 380354737 /nfs/dbraw/zinc/35/47/37/380354737.db2.gz RBTTZHAMAKKTRN-GRDNDAEWSA-N 2 2 290.382 3.420 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000643543489 380357810 /nfs/dbraw/zinc/35/78/10/380357810.db2.gz NSHZGLMROYSZOU-GUYCJALGSA-N 2 2 290.455 3.166 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2s1 ZINC000414769436 380397278 /nfs/dbraw/zinc/39/72/78/380397278.db2.gz NLKXVAJNVKLAOG-FZMZJTMJSA-N 2 2 289.448 3.164 20 0 CGADLP CCCCCOc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OC ZINC000414668072 380360364 /nfs/dbraw/zinc/36/03/64/380360364.db2.gz YOHUABRVSGZXQY-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCCOc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OC ZINC000414668072 380360367 /nfs/dbraw/zinc/36/03/67/380360367.db2.gz YOHUABRVSGZXQY-AWEZNQCLSA-N 2 2 294.439 3.043 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414824108 380433428 /nfs/dbraw/zinc/43/34/28/380433428.db2.gz AELBMBYUNPWNDQ-KSSFIOAISA-N 2 2 286.394 3.436 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000414826430 380435452 /nfs/dbraw/zinc/43/54/52/380435452.db2.gz FNEIYQOEOLLNQF-INIZCTEOSA-N 2 2 288.366 3.014 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414838276 380446295 /nfs/dbraw/zinc/44/62/95/380446295.db2.gz VHKOEVZLJPHKFQ-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2Cl)CCCCC1 ZINC000414848928 380451227 /nfs/dbraw/zinc/45/12/27/380451227.db2.gz WTKMKWSLFXEVGP-UHFFFAOYSA-N 2 2 270.779 3.230 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)Cc2cccc(O)c2)c[nH+]1 ZINC000354330055 380401460 /nfs/dbraw/zinc/40/14/60/380401460.db2.gz NKLRPTSKUWUVKT-OAHLLOKOSA-N 2 2 284.403 3.249 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414796636 380410331 /nfs/dbraw/zinc/41/03/31/380410331.db2.gz OIGBUBDJVYXRFA-SNVBAGLBSA-N 2 2 279.186 3.205 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414803219 380416819 /nfs/dbraw/zinc/41/68/19/380416819.db2.gz WGNGKGXCARJRSE-GOSISDBHSA-N 2 2 298.430 3.339 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414934252 380496191 /nfs/dbraw/zinc/49/61/91/380496191.db2.gz BGMNKPVQEOZKKG-YPMHNXCESA-N 2 2 266.454 3.276 20 0 CGADLP CC(C)c1ncc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000414939603 380498173 /nfs/dbraw/zinc/49/81/73/380498173.db2.gz ZUOVYRUMXLLYHX-CYBMUJFWSA-N 2 2 281.469 3.134 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[NH2+]1 ZINC000414941958 380499634 /nfs/dbraw/zinc/49/96/34/380499634.db2.gz DCHCOKIZRQSVIH-PWSUYJOCSA-N 2 2 293.461 3.102 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@H]2CCCCO2)c[nH+]1 ZINC000354622675 380505053 /nfs/dbraw/zinc/50/50/53/380505053.db2.gz BEUBKYJYOKJKEH-QGZVFWFLSA-N 2 2 276.424 3.262 20 0 CGADLP C[NH2+]Cc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000414859245 380459968 /nfs/dbraw/zinc/45/99/68/380459968.db2.gz AUNMFMKUAAAIOV-UHFFFAOYSA-N 2 2 296.418 3.013 20 0 CGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354498416 380460586 /nfs/dbraw/zinc/46/05/86/380460586.db2.gz JOHJYCMFNVYJMU-LBPRGKRZSA-N 2 2 287.407 3.321 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414862227 380463323 /nfs/dbraw/zinc/46/33/23/380463323.db2.gz GZCQNXGBHFNGPI-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2N(C)C)c[nH+]1 ZINC000354536786 380476325 /nfs/dbraw/zinc/47/63/25/380476325.db2.gz CNAQLLSNWBFZMJ-UHFFFAOYSA-N 2 2 283.419 3.178 20 0 CGADLP c1csc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414899940 380479523 /nfs/dbraw/zinc/47/95/23/380479523.db2.gz CNHNIRCYDIJACZ-LLVKDONJSA-N 2 2 293.461 3.103 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000354547619 380481261 /nfs/dbraw/zinc/48/12/61/380481261.db2.gz TWMKOHGPKNNRIC-IRXDYDNUSA-N 2 2 276.424 3.116 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902250 380482599 /nfs/dbraw/zinc/48/25/99/380482599.db2.gz HBPBMNFZDAIRLU-SNVBAGLBSA-N 2 2 273.207 3.225 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000645161407 380599959 /nfs/dbraw/zinc/59/99/59/380599959.db2.gz VVTAYKBNABPOET-WFASDCNBSA-N 2 2 266.816 3.078 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)[C@@H](C)C1 ZINC000645161407 380599966 /nfs/dbraw/zinc/59/99/66/380599966.db2.gz VVTAYKBNABPOET-WFASDCNBSA-N 2 2 266.816 3.078 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000417358975 380607152 /nfs/dbraw/zinc/60/71/52/380607152.db2.gz VDXGDPWSVPAHLC-HOTGVXAUSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393676 380667582 /nfs/dbraw/zinc/66/75/82/380667582.db2.gz NAXJHJIITGLLAE-NVXWUHKLSA-N 2 2 292.854 3.345 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000645393676 380667584 /nfs/dbraw/zinc/66/75/84/380667584.db2.gz NAXJHJIITGLLAE-NVXWUHKLSA-N 2 2 292.854 3.345 20 0 CGADLP CSC1(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000356172516 380792302 /nfs/dbraw/zinc/79/23/02/380792302.db2.gz VOBYSBALJSBSHO-MRXNPFEDSA-N 2 2 292.492 3.473 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354169 380851716 /nfs/dbraw/zinc/85/17/16/380851716.db2.gz BOGLNUMSRWRLNA-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354169 380851722 /nfs/dbraw/zinc/85/17/22/380851722.db2.gz BOGLNUMSRWRLNA-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000357010531 380985674 /nfs/dbraw/zinc/98/56/74/380985674.db2.gz SRYHKQXPLMVVRE-RBSFLKMASA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000357010531 380985679 /nfs/dbraw/zinc/98/56/79/380985679.db2.gz SRYHKQXPLMVVRE-RBSFLKMASA-N 2 2 261.413 3.415 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)[C@@H](C)C1 ZINC000358016588 381288064 /nfs/dbraw/zinc/28/80/64/381288064.db2.gz GKASUNMQJDYGDO-GLQYFDAESA-N 2 2 294.826 3.093 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2c(s1)CCC2 ZINC000360038721 381419353 /nfs/dbraw/zinc/41/93/53/381419353.db2.gz OFZHIIKQAGYNJT-NWDGAFQWSA-N 2 2 275.421 3.173 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000360249711 381498394 /nfs/dbraw/zinc/49/83/94/381498394.db2.gz MYWWZOYXPMKUPH-YLQAJVPDSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000360249711 381498398 /nfs/dbraw/zinc/49/83/98/381498398.db2.gz MYWWZOYXPMKUPH-YLQAJVPDSA-N 2 2 276.399 3.133 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221165191 542288004 /nfs/dbraw/zinc/28/80/04/542288004.db2.gz NOJCNWKZBYKMBS-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221165191 542288008 /nfs/dbraw/zinc/28/80/08/542288008.db2.gz NOJCNWKZBYKMBS-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557212 381802015 /nfs/dbraw/zinc/80/20/15/381802015.db2.gz OTJZHJCWYBTJEX-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557212 381802019 /nfs/dbraw/zinc/80/20/19/381802019.db2.gz OTJZHJCWYBTJEX-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557212 381802025 /nfs/dbraw/zinc/80/20/25/381802025.db2.gz OTJZHJCWYBTJEX-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557212 381802030 /nfs/dbraw/zinc/80/20/30/381802030.db2.gz OTJZHJCWYBTJEX-WCQYABFASA-N 2 2 284.856 3.318 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542053 542294407 /nfs/dbraw/zinc/29/44/07/542294407.db2.gz NLJGNKHSOAUMQC-TZTCFGBESA-N 2 2 271.364 3.087 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ncsc2c1 ZINC000362574590 382062809 /nfs/dbraw/zinc/06/28/09/382062809.db2.gz GMKMGFOSNORQJP-GFCCVEGCSA-N 2 2 286.404 3.234 20 0 CGADLP FC(F)(F)C1CCC(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000365610170 382290534 /nfs/dbraw/zinc/29/05/34/382290534.db2.gz CMTSRNONIULVAG-UHFFFAOYSA-N 2 2 287.329 3.067 20 0 CGADLP FC(F)(F)C1CCC(C[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000365610170 382290542 /nfs/dbraw/zinc/29/05/42/382290542.db2.gz CMTSRNONIULVAG-UHFFFAOYSA-N 2 2 287.329 3.067 20 0 CGADLP [NH3+]C1(CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC1 ZINC000237729322 542319080 /nfs/dbraw/zinc/31/90/80/542319080.db2.gz XINXTAVDAJGAEM-UHFFFAOYSA-N 2 2 297.358 3.084 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C)cc1 ZINC000368001679 382363180 /nfs/dbraw/zinc/36/31/80/382363180.db2.gz ZJAGQQOAQQDPSU-GJZGRUSLSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C)cc1 ZINC000368001679 382363187 /nfs/dbraw/zinc/36/31/87/382363187.db2.gz ZJAGQQOAQQDPSU-GJZGRUSLSA-N 2 2 269.392 3.316 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418019 542350207 /nfs/dbraw/zinc/35/02/07/542350207.db2.gz UMLMIGKQWLWXIU-DVOMOZLQSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418019 542350210 /nfs/dbraw/zinc/35/02/10/542350210.db2.gz UMLMIGKQWLWXIU-DVOMOZLQSA-N 2 2 294.389 3.490 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253365620 542352582 /nfs/dbraw/zinc/35/25/82/542352582.db2.gz PEAQMPNUSCHEMM-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253365620 542352585 /nfs/dbraw/zinc/35/25/85/542352585.db2.gz PEAQMPNUSCHEMM-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2s1 ZINC000261973632 542355779 /nfs/dbraw/zinc/35/57/79/542355779.db2.gz QPDSLBGKGFJUII-ABAIWWIYSA-N 2 2 289.448 3.164 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2s1 ZINC000261973632 542355781 /nfs/dbraw/zinc/35/57/81/542355781.db2.gz QPDSLBGKGFJUII-ABAIWWIYSA-N 2 2 289.448 3.164 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423563260 533001335 /nfs/dbraw/zinc/00/13/35/533001335.db2.gz RHFINRDOBDWPGM-TZMCWYRMSA-N 2 2 264.438 3.201 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747225 220300746 /nfs/dbraw/zinc/30/07/46/220300746.db2.gz FGAOWJWHVZQDEI-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747225 220300747 /nfs/dbraw/zinc/30/07/47/220300747.db2.gz FGAOWJWHVZQDEI-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747225 220300748 /nfs/dbraw/zinc/30/07/48/220300748.db2.gz FGAOWJWHVZQDEI-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353747225 220300751 /nfs/dbraw/zinc/30/07/51/220300751.db2.gz FGAOWJWHVZQDEI-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747390 220303074 /nfs/dbraw/zinc/30/30/74/220303074.db2.gz MCQMRTYDOFPVMJ-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747390 220303077 /nfs/dbraw/zinc/30/30/77/220303077.db2.gz MCQMRTYDOFPVMJ-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747390 220303082 /nfs/dbraw/zinc/30/30/82/220303082.db2.gz MCQMRTYDOFPVMJ-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353747390 220303085 /nfs/dbraw/zinc/30/30/85/220303085.db2.gz MCQMRTYDOFPVMJ-SWLSCSKDSA-N 2 2 282.378 3.269 20 0 CGADLP CCC1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000353753330 220304343 /nfs/dbraw/zinc/30/43/43/220304343.db2.gz OPKVTBCKFSTJPV-UHFFFAOYSA-N 2 2 257.381 3.393 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755952 220309863 /nfs/dbraw/zinc/30/98/63/220309863.db2.gz UDIMAUCWBWGXLT-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755952 220309865 /nfs/dbraw/zinc/30/98/65/220309865.db2.gz UDIMAUCWBWGXLT-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755952 220309867 /nfs/dbraw/zinc/30/98/67/220309867.db2.gz UDIMAUCWBWGXLT-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755952 220309871 /nfs/dbraw/zinc/30/98/71/220309871.db2.gz UDIMAUCWBWGXLT-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000286219914 542391839 /nfs/dbraw/zinc/39/18/39/542391839.db2.gz SIJGGEMEXICXLT-KGLIPLIRSA-N 2 2 286.423 3.190 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC3CCC2CC3)[nH+]1 ZINC000353813701 220345212 /nfs/dbraw/zinc/34/52/12/220345212.db2.gz YYYNDDDBYMRVKS-SSDMNJCBSA-N 2 2 255.365 3.003 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1nccn1C(F)F ZINC000289110340 197237563 /nfs/dbraw/zinc/23/75/63/197237563.db2.gz MWSIMTRMWVZWBQ-UHFFFAOYSA-N 2 2 294.349 3.046 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1nccn1C(F)F ZINC000289110340 197237565 /nfs/dbraw/zinc/23/75/65/197237565.db2.gz MWSIMTRMWVZWBQ-UHFFFAOYSA-N 2 2 294.349 3.046 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000289058712 197223344 /nfs/dbraw/zinc/22/33/44/197223344.db2.gz IXFJXAWAQCHKLD-KRWDZBQOSA-N 2 2 269.392 3.488 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000289058712 197223346 /nfs/dbraw/zinc/22/33/46/197223346.db2.gz IXFJXAWAQCHKLD-KRWDZBQOSA-N 2 2 269.392 3.488 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc(F)cc1 ZINC000289051423 197222475 /nfs/dbraw/zinc/22/24/75/197222475.db2.gz BJNHJYNSIURNMB-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP COCCC1(C[NH2+]CC[NH+]2CCCCC2)CCCCC1 ZINC000436295385 533206571 /nfs/dbraw/zinc/20/65/71/533206571.db2.gz YXIVGXPLCNPGLT-UHFFFAOYSA-N 2 2 282.472 3.049 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000281378234 195216563 /nfs/dbraw/zinc/21/65/63/195216563.db2.gz XBJGOSBKQYMWFL-CVEARBPZSA-N 2 2 289.467 3.346 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336723339 542478989 /nfs/dbraw/zinc/47/89/89/542478989.db2.gz WBOWBQSHZPISRC-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336723339 542478991 /nfs/dbraw/zinc/47/89/91/542478991.db2.gz WBOWBQSHZPISRC-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@@H]2C2CC2)[nH+]1 ZINC000348104575 542514779 /nfs/dbraw/zinc/51/47/79/542514779.db2.gz QQTXKPSDAKOKJJ-MSOLQXFVSA-N 2 2 295.430 3.252 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353439782 542557208 /nfs/dbraw/zinc/55/72/08/542557208.db2.gz ISWHQMYDSKSPDP-ZWKOTPCHSA-N 2 2 287.451 3.070 20 0 CGADLP CC[NH+](CC)C[C@@H](C)N[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353512519 542558520 /nfs/dbraw/zinc/55/85/20/542558520.db2.gz DKPNWWWLJJIWIO-GDBMZVCRSA-N 2 2 292.471 3.351 20 0 CGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000576716280 335239439 /nfs/dbraw/zinc/23/94/39/335239439.db2.gz QJLZHKKFLWHKPR-UHFFFAOYSA-N 2 2 290.304 3.030 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccc(F)cc31)CCC2 ZINC000358990315 542578746 /nfs/dbraw/zinc/57/87/46/542578746.db2.gz OQMCWBLQGGEFBA-PBHICJAKSA-N 2 2 299.393 3.485 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1 ZINC000437100034 533361198 /nfs/dbraw/zinc/36/11/98/533361198.db2.gz UHHAXJJJQBTKNV-HUUCEWRRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)cn1 ZINC000423401979 533424824 /nfs/dbraw/zinc/42/48/24/533424824.db2.gz XZPWXJFFMUZYEZ-RISCZKNCSA-N 2 2 281.831 3.164 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423542836 533541444 /nfs/dbraw/zinc/54/14/44/533541444.db2.gz BDORNWBYWMIOHG-RISCZKNCSA-N 2 2 252.789 3.133 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000380844549 542595703 /nfs/dbraw/zinc/59/57/03/542595703.db2.gz ZDLBINLWZLOJLS-ILXRZTDVSA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000049084946 392033019 /nfs/dbraw/zinc/03/30/19/392033019.db2.gz RJBYAZVZKVPBAI-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000049084946 392033024 /nfs/dbraw/zinc/03/30/24/392033024.db2.gz RJBYAZVZKVPBAI-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713882 392057041 /nfs/dbraw/zinc/05/70/41/392057041.db2.gz PSGSWUFLFTZNEU-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713882 392057044 /nfs/dbraw/zinc/05/70/44/392057044.db2.gz PSGSWUFLFTZNEU-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000091959930 392231299 /nfs/dbraw/zinc/23/12/99/392231299.db2.gz AVAFGUCUAZSNQK-JYJNAYRXSA-N 2 2 259.397 3.122 20 0 CGADLP C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000091959930 392231303 /nfs/dbraw/zinc/23/13/03/392231303.db2.gz AVAFGUCUAZSNQK-JYJNAYRXSA-N 2 2 259.397 3.122 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000361860114 392347124 /nfs/dbraw/zinc/34/71/24/392347124.db2.gz JQCVLPKSTRUAMC-QGZVFWFLSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000361860114 392347128 /nfs/dbraw/zinc/34/71/28/392347128.db2.gz JQCVLPKSTRUAMC-QGZVFWFLSA-N 2 2 281.403 3.413 20 0 CGADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000134735686 392468013 /nfs/dbraw/zinc/46/80/13/392468013.db2.gz BCTJFOBSVZIMLK-HNNXBMFYSA-N 2 2 258.409 3.135 20 0 CGADLP C[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000134735686 392468015 /nfs/dbraw/zinc/46/80/15/392468015.db2.gz BCTJFOBSVZIMLK-HNNXBMFYSA-N 2 2 258.409 3.135 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000295140088 392543946 /nfs/dbraw/zinc/54/39/46/392543946.db2.gz ZMIHSSOVDGSOCM-ZOMKSWQUSA-N 2 2 286.419 3.114 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000295140088 392543949 /nfs/dbraw/zinc/54/39/49/392543949.db2.gz ZMIHSSOVDGSOCM-ZOMKSWQUSA-N 2 2 286.419 3.114 20 0 CGADLP CCc1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000291816312 392488584 /nfs/dbraw/zinc/48/85/84/392488584.db2.gz RSBPBFBKAMADFO-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000152048696 392495205 /nfs/dbraw/zinc/49/52/05/392495205.db2.gz RGIYOAXCCFTOSG-WMLDXEAASA-N 2 2 276.424 3.412 20 0 CGADLP Cc1cccc(C)c1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169238 392589948 /nfs/dbraw/zinc/58/99/48/392589948.db2.gz MENWOMQWOOKQMK-UHFFFAOYSA-N 2 2 299.418 3.285 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000301895173 392600900 /nfs/dbraw/zinc/60/09/00/392600900.db2.gz TYVANCQKEMHKCV-CQSZACIVSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000301895173 392600906 /nfs/dbraw/zinc/60/09/06/392600906.db2.gz TYVANCQKEMHKCV-CQSZACIVSA-N 2 2 294.402 3.495 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C)c1)CCC2 ZINC000372580348 392620858 /nfs/dbraw/zinc/62/08/58/392620858.db2.gz BQONFZVKSSNMOC-MRXNPFEDSA-N 2 2 269.392 3.167 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000647304520 392653196 /nfs/dbraw/zinc/65/31/96/392653196.db2.gz RAAJBKORGCLVPN-HOCLYGCPSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000647304520 392653199 /nfs/dbraw/zinc/65/31/99/392653199.db2.gz RAAJBKORGCLVPN-HOCLYGCPSA-N 2 2 284.407 3.039 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000310035445 392658400 /nfs/dbraw/zinc/65/84/00/392658400.db2.gz TYWWPNANXNGNNJ-VIFPVBQESA-N 2 2 255.774 3.366 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC000647316028 392660285 /nfs/dbraw/zinc/66/02/85/392660285.db2.gz LSNYHADANMHDJM-UHFFFAOYSA-N 2 2 264.800 3.013 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479400 392735406 /nfs/dbraw/zinc/73/54/06/392735406.db2.gz FYQXGHDVHLKCLU-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647479400 392735410 /nfs/dbraw/zinc/73/54/10/392735410.db2.gz FYQXGHDVHLKCLU-KGLIPLIRSA-N 2 2 293.480 3.231 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000334589063 392740826 /nfs/dbraw/zinc/74/08/26/392740826.db2.gz FEDCTPWBMXEPFT-INIZCTEOSA-N 2 2 278.827 3.353 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533878 392753224 /nfs/dbraw/zinc/75/32/24/392753224.db2.gz ZSDSUSCETQZPLC-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533878 392753228 /nfs/dbraw/zinc/75/32/28/392753228.db2.gz ZSDSUSCETQZPLC-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534443 392755530 /nfs/dbraw/zinc/75/55/30/392755530.db2.gz NMEOUPVWMFEROO-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647534443 392755542 /nfs/dbraw/zinc/75/55/42/392755542.db2.gz NMEOUPVWMFEROO-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](c1ccccc1)C(C)C ZINC000647540500 392758884 /nfs/dbraw/zinc/75/88/84/392758884.db2.gz WAXTZVBSTNMRJY-ULQDDVLXSA-N 2 2 278.415 3.058 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](c1ccccc1)C(C)C ZINC000647540500 392758889 /nfs/dbraw/zinc/75/88/89/392758889.db2.gz WAXTZVBSTNMRJY-ULQDDVLXSA-N 2 2 278.415 3.058 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349331 392700021 /nfs/dbraw/zinc/70/00/21/392700021.db2.gz KBUGCFWYBFTMPC-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000647349331 392700027 /nfs/dbraw/zinc/70/00/27/392700027.db2.gz KBUGCFWYBFTMPC-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccncc1 ZINC000647363821 392707720 /nfs/dbraw/zinc/70/77/20/392707720.db2.gz KVJAWAOACFZVLH-KRWDZBQOSA-N 2 2 294.402 3.321 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)Cc3cccs3)cn21 ZINC000647364823 392707831 /nfs/dbraw/zinc/70/78/31/392707831.db2.gz NTHBYQHYSIAMEK-ZDUSSCGKSA-N 2 2 299.443 3.468 20 0 CGADLP CCCCC[N@H+](CCCOC)Cc1cccc2[nH+]ccn21 ZINC000180877497 392713947 /nfs/dbraw/zinc/71/39/47/392713947.db2.gz BEVKXXKUIIRIGW-UHFFFAOYSA-N 2 2 289.423 3.363 20 0 CGADLP CCCCC[N@@H+](CCCOC)Cc1cccc2[nH+]ccn21 ZINC000180877497 392713956 /nfs/dbraw/zinc/71/39/56/392713956.db2.gz BEVKXXKUIIRIGW-UHFFFAOYSA-N 2 2 289.423 3.363 20 0 CGADLP C[C@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000647803983 392804811 /nfs/dbraw/zinc/80/48/11/392804811.db2.gz GNJLSKKIKACCEJ-WFASDCNBSA-N 2 2 278.827 3.449 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000191221999 392827031 /nfs/dbraw/zinc/82/70/31/392827031.db2.gz BSRMUCTUACHZFP-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000191221999 392827039 /nfs/dbraw/zinc/82/70/39/392827039.db2.gz BSRMUCTUACHZFP-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC(F)(F)CC1 ZINC000336002956 392827818 /nfs/dbraw/zinc/82/78/18/392827818.db2.gz KIRBQRNVUTXXEP-CMPLNLGQSA-N 2 2 283.366 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336002956 392827825 /nfs/dbraw/zinc/82/78/25/392827825.db2.gz KIRBQRNVUTXXEP-CMPLNLGQSA-N 2 2 283.366 3.071 20 0 CGADLP c1[nH]c(C[NH2+]CCC[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000194225312 392909642 /nfs/dbraw/zinc/90/96/42/392909642.db2.gz SBJFFDGKOAMBQA-UHFFFAOYSA-N 2 2 298.434 3.042 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000381556756 392909795 /nfs/dbraw/zinc/90/97/95/392909795.db2.gz VRUUXLSDKLPDIZ-CYSCTCCASA-N 2 2 264.457 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000381556756 392909798 /nfs/dbraw/zinc/90/97/98/392909798.db2.gz VRUUXLSDKLPDIZ-CYSCTCCASA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000520216738 392912395 /nfs/dbraw/zinc/91/23/95/392912395.db2.gz ZZPPMFLJKAFSAL-LLVKDONJSA-N 2 2 256.340 3.004 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382079352 392917290 /nfs/dbraw/zinc/91/72/90/392917290.db2.gz HWTVDUCKCMBAHA-HGBCSTKUSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382079352 392917295 /nfs/dbraw/zinc/91/72/95/392917295.db2.gz HWTVDUCKCMBAHA-HGBCSTKUSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000519615407 392874072 /nfs/dbraw/zinc/87/40/72/392874072.db2.gz ZWDINOXZXSOTIY-ZFWWWQNUSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000519615407 392874077 /nfs/dbraw/zinc/87/40/77/392874077.db2.gz ZWDINOXZXSOTIY-ZFWWWQNUSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000195445581 392967239 /nfs/dbraw/zinc/96/72/39/392967239.db2.gz KXRNTCHPDHSLOQ-GXTWGEPZSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445581 392967244 /nfs/dbraw/zinc/96/72/44/392967244.db2.gz KXRNTCHPDHSLOQ-GXTWGEPZSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340210756 392967802 /nfs/dbraw/zinc/96/78/02/392967802.db2.gz ZFBNHLNXXYUBED-WMZOPIPTSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340210756 392967809 /nfs/dbraw/zinc/96/78/09/392967809.db2.gz ZFBNHLNXXYUBED-WMZOPIPTSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000195445593 392968595 /nfs/dbraw/zinc/96/85/95/392968595.db2.gz KXRNTCHPDHSLOQ-TZMCWYRMSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445593 392968602 /nfs/dbraw/zinc/96/86/02/392968602.db2.gz KXRNTCHPDHSLOQ-TZMCWYRMSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536332 393001529 /nfs/dbraw/zinc/00/15/29/393001529.db2.gz IMLOYAIKYNFWDO-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342536332 393001534 /nfs/dbraw/zinc/00/15/34/393001534.db2.gz IMLOYAIKYNFWDO-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000648432382 393014352 /nfs/dbraw/zinc/01/43/52/393014352.db2.gz ASCWPYXOPCSLNK-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000648432382 393014358 /nfs/dbraw/zinc/01/43/58/393014358.db2.gz ASCWPYXOPCSLNK-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c(C)s1 ZINC000346789957 393095187 /nfs/dbraw/zinc/09/51/87/393095187.db2.gz FHWZCKRMXDSLOX-ZOWXZIJZSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000346789957 393095190 /nfs/dbraw/zinc/09/51/90/393095190.db2.gz FHWZCKRMXDSLOX-ZOWXZIJZSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000467420601 393098876 /nfs/dbraw/zinc/09/88/76/393098876.db2.gz UTWAWZHBXNKNRM-IUVQAAGXSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000467420601 393098879 /nfs/dbraw/zinc/09/88/79/393098879.db2.gz UTWAWZHBXNKNRM-IUVQAAGXSA-N 2 2 284.447 3.313 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000414109695 393039216 /nfs/dbraw/zinc/03/92/16/393039216.db2.gz LCQRZMHPSYZUJH-NEBZKDRISA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000414109695 393039225 /nfs/dbraw/zinc/03/92/25/393039225.db2.gz LCQRZMHPSYZUJH-NEBZKDRISA-N 2 2 250.430 3.026 20 0 CGADLP CCCc1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415038176 393106115 /nfs/dbraw/zinc/10/61/15/393106115.db2.gz HQHNZBOXVZZTSU-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1csc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415038176 393106118 /nfs/dbraw/zinc/10/61/18/393106118.db2.gz HQHNZBOXVZZTSU-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648482233 393056599 /nfs/dbraw/zinc/05/65/99/393056599.db2.gz GHDWKFIWUKFQCY-LJHODMEESA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648482233 393056604 /nfs/dbraw/zinc/05/66/04/393056604.db2.gz GHDWKFIWUKFQCY-LJHODMEESA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648482234 393056695 /nfs/dbraw/zinc/05/66/95/393056695.db2.gz GHDWKFIWUKFQCY-LSBZLQRGSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648482234 393056703 /nfs/dbraw/zinc/05/67/03/393056703.db2.gz GHDWKFIWUKFQCY-LSBZLQRGSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964444 393068623 /nfs/dbraw/zinc/06/86/23/393068623.db2.gz YLMLDXYWGGVHHS-GUYCJALGSA-N 2 2 254.377 3.070 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414980653 393077758 /nfs/dbraw/zinc/07/77/58/393077758.db2.gz ARDDCXSRKZKFEQ-QGZVFWFLSA-N 2 2 284.403 3.189 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000415052429 393114783 /nfs/dbraw/zinc/11/47/83/393114783.db2.gz LEWNGMVWSHUTKE-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP Clc1sccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053496 393115548 /nfs/dbraw/zinc/11/55/48/393115548.db2.gz OSFKLDGCHCJBFI-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053496 393115554 /nfs/dbraw/zinc/11/55/54/393115554.db2.gz OSFKLDGCHCJBFI-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000415058621 393119120 /nfs/dbraw/zinc/11/91/20/393119120.db2.gz WBXDKRPGPJYXLA-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP C[C@H](CCC(F)(F)F)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839249 393132277 /nfs/dbraw/zinc/13/22/77/393132277.db2.gz VPNFJVKNZSFAEH-LLVKDONJSA-N 2 2 298.312 3.469 20 0 CGADLP c1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415087190 393139155 /nfs/dbraw/zinc/13/91/55/393139155.db2.gz KRMQHXIRFKKNBP-OALUTQOASA-N 2 2 280.415 3.312 20 0 CGADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415090581 393141120 /nfs/dbraw/zinc/14/11/20/393141120.db2.gz YBSCYUWNMWHDGZ-NWDGAFQWSA-N 2 2 291.420 3.023 20 0 CGADLP COc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)cc1Cl ZINC000415112220 393148810 /nfs/dbraw/zinc/14/88/10/393148810.db2.gz AVGNRJILOGLFQQ-ZDUSSCGKSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)cc1Cl ZINC000415112220 393148815 /nfs/dbraw/zinc/14/88/15/393148815.db2.gz AVGNRJILOGLFQQ-ZDUSSCGKSA-N 2 2 284.831 3.154 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025604 393237165 /nfs/dbraw/zinc/23/71/65/393237165.db2.gz GPGZTLHWKFKZLO-WEBJUUICSA-N 2 2 280.371 3.248 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354025604 393237168 /nfs/dbraw/zinc/23/71/68/393237168.db2.gz GPGZTLHWKFKZLO-WEBJUUICSA-N 2 2 280.371 3.248 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543927 285524323 /nfs/dbraw/zinc/52/43/23/285524323.db2.gz CMAZLAQJYJHOLY-GUYCJALGSA-N 2 2 283.419 3.277 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)F ZINC000647225023 393396009 /nfs/dbraw/zinc/39/60/09/393396009.db2.gz IDBJKQYHAKMGPG-LBPRGKRZSA-N 2 2 279.334 3.253 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356256489 393396917 /nfs/dbraw/zinc/39/69/17/393396917.db2.gz JQJQFEILWOAWJK-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356256489 393396918 /nfs/dbraw/zinc/39/69/18/393396918.db2.gz JQJQFEILWOAWJK-IRXDYDNUSA-N 2 2 288.435 3.212 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356268278 393401577 /nfs/dbraw/zinc/40/15/77/393401577.db2.gz YHMUPPUEJBERIF-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356268278 393401582 /nfs/dbraw/zinc/40/15/82/393401582.db2.gz YHMUPPUEJBERIF-INIZCTEOSA-N 3 2 277.456 3.033 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356276368 393403595 /nfs/dbraw/zinc/40/35/95/393403595.db2.gz GIVREHXELXINSF-HNNXBMFYSA-N 2 2 261.413 3.471 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000356276368 393403598 /nfs/dbraw/zinc/40/35/98/393403598.db2.gz GIVREHXELXINSF-HNNXBMFYSA-N 2 2 261.413 3.471 20 0 CGADLP CSC1(C[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000356110023 393357096 /nfs/dbraw/zinc/35/70/96/393357096.db2.gz LKZMDRFRQBKCRA-INIZCTEOSA-N 2 2 292.492 3.035 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000281851076 393358523 /nfs/dbraw/zinc/35/85/23/393358523.db2.gz BERLZAATLKKUGJ-LBPRGKRZSA-N 2 2 279.334 3.249 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000649426259 393422148 /nfs/dbraw/zinc/42/21/48/393422148.db2.gz ZLUWXSLLDSLCCM-UHFFFAOYSA-N 2 2 299.418 3.342 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC1(C)C ZINC000487198267 393449827 /nfs/dbraw/zinc/44/98/27/393449827.db2.gz VORGKYCYZWHIFU-QEJZJMRPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CC1(C)C ZINC000487198267 393449836 /nfs/dbraw/zinc/44/98/36/393449836.db2.gz VORGKYCYZWHIFU-QEJZJMRPSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000420362513 393474612 /nfs/dbraw/zinc/47/46/12/393474612.db2.gz AUBBFCNEPFDHBZ-YOEHRIQHSA-N 2 2 254.377 3.021 20 0 CGADLP C[N@H+](CC[NH+]1CCC[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700272 393496026 /nfs/dbraw/zinc/49/60/26/393496026.db2.gz ZJDSZGROBCZIQI-QZTJIDSGSA-N 2 2 272.436 3.383 20 0 CGADLP C[N@@H+](CC[NH+]1CCC[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700272 393496027 /nfs/dbraw/zinc/49/60/27/393496027.db2.gz ZJDSZGROBCZIQI-QZTJIDSGSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@@H+]1CCC[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700272 393496029 /nfs/dbraw/zinc/49/60/29/393496029.db2.gz ZJDSZGROBCZIQI-QZTJIDSGSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@H+]1CCC[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700272 393496031 /nfs/dbraw/zinc/49/60/31/393496031.db2.gz ZJDSZGROBCZIQI-QZTJIDSGSA-N 2 2 272.436 3.383 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000488407119 393501835 /nfs/dbraw/zinc/50/18/35/393501835.db2.gz DSHQUDAPUJQCPA-WMLDXEAASA-N 2 2 272.436 3.069 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000488407119 393501845 /nfs/dbraw/zinc/50/18/45/393501845.db2.gz DSHQUDAPUJQCPA-WMLDXEAASA-N 2 2 272.436 3.069 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000356970402 393503793 /nfs/dbraw/zinc/50/37/93/393503793.db2.gz DHKXPNSXGZGVTQ-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000356970402 393503800 /nfs/dbraw/zinc/50/38/00/393503800.db2.gz DHKXPNSXGZGVTQ-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000488424257 393507528 /nfs/dbraw/zinc/50/75/28/393507528.db2.gz CHUCYLVTZKURLM-VNCLNFNDSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000488424257 393507531 /nfs/dbraw/zinc/50/75/31/393507531.db2.gz CHUCYLVTZKURLM-VNCLNFNDSA-N 2 2 286.463 3.457 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(C(C)C)C1)CCC2 ZINC000488433191 393510807 /nfs/dbraw/zinc/51/08/07/393510807.db2.gz NBTZDMBCAHQBEZ-NFOMZHRRSA-N 2 2 261.413 3.093 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488435330 393512022 /nfs/dbraw/zinc/51/20/22/393512022.db2.gz VIWAEXNBKPLOFM-APIJFGDWSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488435330 393512024 /nfs/dbraw/zinc/51/20/24/393512024.db2.gz VIWAEXNBKPLOFM-APIJFGDWSA-N 2 2 284.513 3.225 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000358014151 393519120 /nfs/dbraw/zinc/51/91/20/393519120.db2.gz JXLHWZRVJHVRAN-CKFHNAJUSA-N 2 2 284.447 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000358014151 393519125 /nfs/dbraw/zinc/51/91/25/393519125.db2.gz JXLHWZRVJHVRAN-CKFHNAJUSA-N 2 2 284.447 3.309 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000430141755 393528111 /nfs/dbraw/zinc/52/81/11/393528111.db2.gz YNGXDJRFEGSSFX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000430141755 393528112 /nfs/dbraw/zinc/52/81/12/393528112.db2.gz YNGXDJRFEGSSFX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430141755 393528113 /nfs/dbraw/zinc/52/81/13/393528113.db2.gz YNGXDJRFEGSSFX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430141755 393528115 /nfs/dbraw/zinc/52/81/15/393528115.db2.gz YNGXDJRFEGSSFX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)CO1 ZINC000649734781 393564673 /nfs/dbraw/zinc/56/46/73/393564673.db2.gz ALYRVSKGTGAYOX-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H](C)CO1 ZINC000649734781 393564676 /nfs/dbraw/zinc/56/46/76/393564676.db2.gz ALYRVSKGTGAYOX-QAPCUYQASA-N 2 2 299.418 3.180 20 0 CGADLP FC(F)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000420995050 393568187 /nfs/dbraw/zinc/56/81/87/393568187.db2.gz OEMPRUYANCLWHO-AWEZNQCLSA-N 2 2 279.334 3.259 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000430582623 393578068 /nfs/dbraw/zinc/57/80/68/393578068.db2.gz KQSPSYVAWFPYHW-AWEZNQCLSA-N 2 2 295.477 3.335 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c[nH]2)CCc2ccc(Cl)cc21 ZINC000649746987 393571194 /nfs/dbraw/zinc/57/11/94/393571194.db2.gz NZEWZDQTASFAIJ-NSHDSACASA-N 2 2 275.783 3.225 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c[nH]2)CCc2ccc(Cl)cc21 ZINC000649746987 393571199 /nfs/dbraw/zinc/57/11/99/393571199.db2.gz NZEWZDQTASFAIJ-NSHDSACASA-N 2 2 275.783 3.225 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000489518615 393602225 /nfs/dbraw/zinc/60/22/25/393602225.db2.gz SQINCWQZDCXKNK-INIZCTEOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489518615 393602228 /nfs/dbraw/zinc/60/22/28/393602228.db2.gz SQINCWQZDCXKNK-INIZCTEOSA-N 2 2 269.392 3.411 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000430728041 393590837 /nfs/dbraw/zinc/59/08/37/393590837.db2.gz ZFCSUPMVYHZDBE-XUWVNRHRSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CCSCc1ccccc1 ZINC000430737746 393591597 /nfs/dbraw/zinc/59/15/97/393591597.db2.gz CDPALTTVSPSPBX-INIZCTEOSA-N 2 2 292.492 3.384 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CCSCc1ccccc1 ZINC000430737746 393591601 /nfs/dbraw/zinc/59/16/01/393591601.db2.gz CDPALTTVSPSPBX-INIZCTEOSA-N 2 2 292.492 3.384 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489798711 393615261 /nfs/dbraw/zinc/61/52/61/393615261.db2.gz YJAVXZDGKGNDQA-HPBDAGMYSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489798711 393615263 /nfs/dbraw/zinc/61/52/63/393615263.db2.gz YJAVXZDGKGNDQA-HPBDAGMYSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489798706 393615277 /nfs/dbraw/zinc/61/52/77/393615277.db2.gz YJAVXZDGKGNDQA-BGTYHANMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489798706 393615280 /nfs/dbraw/zinc/61/52/80/393615280.db2.gz YJAVXZDGKGNDQA-BGTYHANMSA-N 2 2 272.436 3.428 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423191156 393653974 /nfs/dbraw/zinc/65/39/74/393653974.db2.gz OMGHGLIQXZBSIG-MFKMUULPSA-N 2 2 282.840 3.219 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423257752 393656116 /nfs/dbraw/zinc/65/61/16/393656116.db2.gz AEACVEGLERIFID-PWSUYJOCSA-N 2 2 286.341 3.054 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423296959 393660284 /nfs/dbraw/zinc/66/02/84/393660284.db2.gz ICNLZOUJNFZORV-KOLCDFICSA-N 2 2 274.330 3.272 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000491016361 393662312 /nfs/dbraw/zinc/66/23/12/393662312.db2.gz BZYRDTGDXHYXGO-MKBNYLNASA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000491016361 393662315 /nfs/dbraw/zinc/66/23/15/393662315.db2.gz BZYRDTGDXHYXGO-MKBNYLNASA-N 2 2 278.827 3.473 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423359532 393663946 /nfs/dbraw/zinc/66/39/46/393663946.db2.gz KUSAULZCWZMYLD-FPMFFAJLSA-N 2 2 252.427 3.177 20 0 CGADLP c1cn(CCCC2CC[NH+](CCC3CC3)CC2)c[nH+]1 ZINC000361072139 393664259 /nfs/dbraw/zinc/66/42/59/393664259.db2.gz CILFKJTWEABIGI-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP c1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361074042 393665771 /nfs/dbraw/zinc/66/57/71/393665771.db2.gz OXBRENFWSIORHI-UHFFFAOYSA-N 2 2 290.436 3.032 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000423461040 393668456 /nfs/dbraw/zinc/66/84/56/393668456.db2.gz JGANNCBICQEIGK-WPRPVWTQSA-N 2 2 261.196 3.381 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@@H+]1C ZINC000491214744 393673394 /nfs/dbraw/zinc/67/33/94/393673394.db2.gz ZJPVSKYFEMIQCC-RDTXWAMCSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@H+]1C ZINC000491214744 393673401 /nfs/dbraw/zinc/67/34/01/393673401.db2.gz ZJPVSKYFEMIQCC-RDTXWAMCSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423573132 393673472 /nfs/dbraw/zinc/67/34/72/393673472.db2.gz YXAJQTRUSOSOHQ-CKEIUWERSA-N 2 2 258.409 3.357 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000442774433 393739358 /nfs/dbraw/zinc/73/93/58/393739358.db2.gz ZCYDINYOMUAKQK-XVSSEFHLSA-N 2 2 272.383 3.025 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000442774433 393739362 /nfs/dbraw/zinc/73/93/62/393739362.db2.gz ZCYDINYOMUAKQK-XVSSEFHLSA-N 2 2 272.383 3.025 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccsc1 ZINC000443106085 393744633 /nfs/dbraw/zinc/74/46/33/393744633.db2.gz VPAGEPHRFCYMMF-GDBMZVCRSA-N 2 2 296.480 3.290 20 0 CGADLP Cc1ccc([C@H](C[NH2+]C2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000433152116 393690805 /nfs/dbraw/zinc/69/08/05/393690805.db2.gz KOZSQWOQJVNKJC-INIZCTEOSA-N 2 2 260.425 3.376 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000433306867 393710331 /nfs/dbraw/zinc/71/03/31/393710331.db2.gz TUJRIRCFXYDPCG-HOTGVXAUSA-N 2 2 258.409 3.210 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000433306867 393710333 /nfs/dbraw/zinc/71/03/33/393710333.db2.gz TUJRIRCFXYDPCG-HOTGVXAUSA-N 2 2 258.409 3.210 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000437094181 393718411 /nfs/dbraw/zinc/71/84/11/393718411.db2.gz HTUJLVCCIGSUJO-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000443848986 393774543 /nfs/dbraw/zinc/77/45/43/393774543.db2.gz CECVASMJBFADDC-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000494696532 393776395 /nfs/dbraw/zinc/77/63/95/393776395.db2.gz JABOWXDQVPCGIN-JQFCIGGWSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000494696532 393776397 /nfs/dbraw/zinc/77/63/97/393776397.db2.gz JABOWXDQVPCGIN-JQFCIGGWSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000449079699 393874994 /nfs/dbraw/zinc/87/49/94/393874994.db2.gz ZXBNXQABRCARRG-YCPHGPKFSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC000449555487 393900271 /nfs/dbraw/zinc/90/02/71/393900271.db2.gz HDVYFIJRBSPOHT-BHYGNILZSA-N 2 2 260.425 3.037 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3C[C@H]3C(C)C)n2c1 ZINC000449559591 393902936 /nfs/dbraw/zinc/90/29/36/393902936.db2.gz ZYBRHWBHHMIYQS-ZFWWWQNUSA-N 2 2 257.381 3.024 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000378417889 134421237 /nfs/dbraw/zinc/42/12/37/134421237.db2.gz WPUBJRYGLUWVDV-HNNXBMFYSA-N 2 2 296.418 3.105 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)cc[nH+]1 ZINC000450498685 394005970 /nfs/dbraw/zinc/00/59/70/394005970.db2.gz HSWDDMZVKUYCET-KRWDZBQOSA-N 2 2 272.392 3.425 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](CCC3=CCCCC3)C2)cc[nH+]1 ZINC000450498685 394005973 /nfs/dbraw/zinc/00/59/73/394005973.db2.gz HSWDDMZVKUYCET-KRWDZBQOSA-N 2 2 272.392 3.425 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)n1C ZINC000667470935 542871874 /nfs/dbraw/zinc/87/18/74/542871874.db2.gz QVKSVUQRSAPBAN-QGZVFWFLSA-N 2 2 284.407 3.241 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)n1C ZINC000667470935 542871878 /nfs/dbraw/zinc/87/18/78/542871878.db2.gz QVKSVUQRSAPBAN-QGZVFWFLSA-N 2 2 284.407 3.241 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000453064795 394157922 /nfs/dbraw/zinc/15/79/22/394157922.db2.gz UJJJEMHKRIEGDN-KRWDZBQOSA-N 2 2 289.467 3.114 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000453071088 394160370 /nfs/dbraw/zinc/16/03/70/394160370.db2.gz WSBXNXUMXPCHFY-GDBMZVCRSA-N 2 2 292.471 3.064 20 0 CGADLP CCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000453389675 394227974 /nfs/dbraw/zinc/22/79/74/394227974.db2.gz XLSYWQPFVNDXMM-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453615539 394259828 /nfs/dbraw/zinc/25/98/28/394259828.db2.gz FUTSOQFAGFXBTP-BBRMVZONSA-N 2 2 257.381 3.393 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)c[nH+]1 ZINC000667587511 542893718 /nfs/dbraw/zinc/89/37/18/542893718.db2.gz VGOMOYNWGLMBOD-CQSZACIVSA-N 2 2 298.415 3.330 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667672531 542914517 /nfs/dbraw/zinc/91/45/17/542914517.db2.gz VURFMCRTCKBUMM-WMLDXEAASA-N 2 2 281.403 3.207 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)n1C ZINC000667672089 542914587 /nfs/dbraw/zinc/91/45/87/542914587.db2.gz JXFYTLXYJMXGLI-GUYCJALGSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+]1CCCC[C@H]1C ZINC000667783927 542928821 /nfs/dbraw/zinc/92/88/21/542928821.db2.gz BLXXJBDTTCGFSH-DGADGQDISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+]1CCCC[C@H]1C ZINC000667783927 542928824 /nfs/dbraw/zinc/92/88/24/542928824.db2.gz BLXXJBDTTCGFSH-DGADGQDISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000668163261 542978415 /nfs/dbraw/zinc/97/84/15/542978415.db2.gz YMRFSZSTQCCRRO-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000668163261 542978416 /nfs/dbraw/zinc/97/84/16/542978416.db2.gz YMRFSZSTQCCRRO-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)CCCn3cc[nH+]c3)[nH]c2c1 ZINC000668167688 542979284 /nfs/dbraw/zinc/97/92/84/542979284.db2.gz DEPYDQCAEHTJBW-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)CCCn3cc[nH+]c3)[nH]c2c1 ZINC000668167688 542979288 /nfs/dbraw/zinc/97/92/88/542979288.db2.gz DEPYDQCAEHTJBW-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262998 543145751 /nfs/dbraw/zinc/14/57/51/543145751.db2.gz RDCFSHDBXIILFK-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262998 543145753 /nfs/dbraw/zinc/14/57/53/543145753.db2.gz RDCFSHDBXIILFK-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H](c1ccncc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739680 543183813 /nfs/dbraw/zinc/18/38/13/543183813.db2.gz SAMINHUYZLWRJF-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1ccncc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739680 543183817 /nfs/dbraw/zinc/18/38/17/543183817.db2.gz SAMINHUYZLWRJF-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1ccncc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739680 543183824 /nfs/dbraw/zinc/18/38/24/543183824.db2.gz SAMINHUYZLWRJF-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP CC[C@@H](OCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742174 397905176 /nfs/dbraw/zinc/90/51/76/397905176.db2.gz SINOBCWFLJOGTE-BPQIPLTHSA-N 2 2 290.451 3.275 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)s1 ZINC000650753720 397909315 /nfs/dbraw/zinc/90/93/15/397909315.db2.gz UBYJVIKLGNLPME-SECBINFHSA-N 2 2 293.411 3.209 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000675765676 543361791 /nfs/dbraw/zinc/36/17/91/543361791.db2.gz FEMLAGNDVGUQKP-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000675765676 543361793 /nfs/dbraw/zinc/36/17/93/543361793.db2.gz FEMLAGNDVGUQKP-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766711 543362150 /nfs/dbraw/zinc/36/21/50/543362150.db2.gz OITSFJFLOGKOOY-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766711 543362151 /nfs/dbraw/zinc/36/21/51/543362151.db2.gz OITSFJFLOGKOOY-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675766579 543362346 /nfs/dbraw/zinc/36/23/46/543362346.db2.gz LVJMGHNLICSTPP-DZKIICNBSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675766579 543362350 /nfs/dbraw/zinc/36/23/50/543362350.db2.gz LVJMGHNLICSTPP-DZKIICNBSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767262 543362381 /nfs/dbraw/zinc/36/23/81/543362381.db2.gz RZVIPVCYINIPAI-SJORKVTESA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767262 543362383 /nfs/dbraw/zinc/36/23/83/543362383.db2.gz RZVIPVCYINIPAI-SJORKVTESA-N 2 2 278.415 3.077 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1SC ZINC000675765637 543361324 /nfs/dbraw/zinc/36/13/24/543361324.db2.gz CLKOONPAFBHEMJ-OCCSQVGLSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000675765637 543361326 /nfs/dbraw/zinc/36/13/26/543361326.db2.gz CLKOONPAFBHEMJ-OCCSQVGLSA-N 2 2 294.464 3.162 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000675921162 543373627 /nfs/dbraw/zinc/37/36/27/543373627.db2.gz VYKSRJYSZSBWCR-IRXDYDNUSA-N 2 2 283.419 3.482 20 0 CGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924813 543374076 /nfs/dbraw/zinc/37/40/76/543374076.db2.gz VFUHGFVKQQFZMW-OAGGEKHMSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924813 543374078 /nfs/dbraw/zinc/37/40/78/543374078.db2.gz VFUHGFVKQQFZMW-OAGGEKHMSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923881 543374403 /nfs/dbraw/zinc/37/44/03/543374403.db2.gz UZZFEAGIYHLBTK-PVAVHDDUSA-N 2 2 283.419 3.482 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[N@@H+]1C1CC1 ZINC000677129880 543434790 /nfs/dbraw/zinc/43/47/90/543434790.db2.gz GJWHXRRGNAXPBJ-HSOHIQCKSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C[N@H+]1C1CC1 ZINC000677129880 543434791 /nfs/dbraw/zinc/43/47/91/543434791.db2.gz GJWHXRRGNAXPBJ-HSOHIQCKSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129897 543435090 /nfs/dbraw/zinc/43/50/90/543435090.db2.gz GTTMCXCISRPVGH-GPNNCHTKSA-N 2 2 292.373 3.024 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129897 543435092 /nfs/dbraw/zinc/43/50/92/543435092.db2.gz GTTMCXCISRPVGH-GPNNCHTKSA-N 2 2 292.373 3.024 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449152458 292169076 /nfs/dbraw/zinc/16/90/76/292169076.db2.gz FSZOPUWEDKNRBN-ZMSDIMECSA-N 2 2 296.499 3.290 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000677846359 543468688 /nfs/dbraw/zinc/46/86/88/543468688.db2.gz QNWORUBOXZFLSS-NVXWUHKLSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000677846359 543468691 /nfs/dbraw/zinc/46/86/91/543468691.db2.gz QNWORUBOXZFLSS-NVXWUHKLSA-N 2 2 290.838 3.401 20 0 CGADLP COCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748660 543463416 /nfs/dbraw/zinc/46/34/16/543463416.db2.gz CEPDACFHOISWKO-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP COCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748660 543463418 /nfs/dbraw/zinc/46/34/18/543463418.db2.gz CEPDACFHOISWKO-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(N(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000678080763 543482094 /nfs/dbraw/zinc/48/20/94/543482094.db2.gz MFHMDIJZZDHDMN-YJBOKZPZSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000678080763 543482096 /nfs/dbraw/zinc/48/20/96/543482096.db2.gz MFHMDIJZZDHDMN-YJBOKZPZSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235710 543498722 /nfs/dbraw/zinc/49/87/22/543498722.db2.gz YOWBUIOIYSKWOS-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235710 543498724 /nfs/dbraw/zinc/49/87/24/543498724.db2.gz YOWBUIOIYSKWOS-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)c[nH+]1 ZINC000678234488 543498818 /nfs/dbraw/zinc/49/88/18/543498818.db2.gz GJRXZLHFZOMQSJ-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)c[nH+]1 ZINC000678234488 543498819 /nfs/dbraw/zinc/49/88/19/543498819.db2.gz GJRXZLHFZOMQSJ-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235222 543498886 /nfs/dbraw/zinc/49/88/86/543498886.db2.gz PNPFMDYYTXGRSF-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235222 543498887 /nfs/dbraw/zinc/49/88/87/543498887.db2.gz PNPFMDYYTXGRSF-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c(C)n1 ZINC000678412944 543521703 /nfs/dbraw/zinc/52/17/03/543521703.db2.gz CAFOGOUNGPHKHY-INIZCTEOSA-N 2 2 297.446 3.481 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c(C)n1 ZINC000678412944 543521704 /nfs/dbraw/zinc/52/17/04/543521704.db2.gz CAFOGOUNGPHKHY-INIZCTEOSA-N 2 2 297.446 3.481 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000678763073 543554394 /nfs/dbraw/zinc/55/43/94/543554394.db2.gz DANNDQHOAVCTRC-PBHICJAKSA-N 2 2 269.392 3.186 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678768203 543554829 /nfs/dbraw/zinc/55/48/29/543554829.db2.gz HGLDUQFYSRZFIO-RVKKMQEKSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678768203 543554832 /nfs/dbraw/zinc/55/48/32/543554832.db2.gz HGLDUQFYSRZFIO-RVKKMQEKSA-N 2 2 272.436 3.241 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c2ccccc12 ZINC000423376801 286370426 /nfs/dbraw/zinc/37/04/26/286370426.db2.gz YPPCFVDOFYLPEK-SUNYJGFJSA-N 2 2 298.430 3.497 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017601 543583159 /nfs/dbraw/zinc/58/31/59/543583159.db2.gz XETFPJXCGCXMCW-CZUORRHYSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017601 543583161 /nfs/dbraw/zinc/58/31/61/543583161.db2.gz XETFPJXCGCXMCW-CZUORRHYSA-N 2 2 276.399 3.135 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cc(Cl)ccc1OC ZINC000423283664 286911817 /nfs/dbraw/zinc/91/18/17/286911817.db2.gz XEGYTQYQRBBDEG-UONOGXRCSA-N 2 2 284.831 3.373 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2c(s1)CCCC2 ZINC000423236331 287032921 /nfs/dbraw/zinc/03/29/21/287032921.db2.gz ODGVRCAODYSTOK-YPMHNXCESA-N 2 2 264.438 3.030 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000261566131 287051121 /nfs/dbraw/zinc/05/11/21/287051121.db2.gz DILSTUSTZMJCOC-YIZRAAEISA-N 2 2 261.196 3.380 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000080427738 287065301 /nfs/dbraw/zinc/06/53/01/287065301.db2.gz BDYBWBHYKPCCPG-OIISXLGYSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCOC(C)C)n1-c1ccccc1 ZINC000081292548 165165487 /nfs/dbraw/zinc/16/54/87/165165487.db2.gz PEZYLWLZQGFRKV-UHFFFAOYSA-N 2 2 287.407 3.085 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081556674 165165565 /nfs/dbraw/zinc/16/55/65/165165565.db2.gz HRGVUXUPRYBOIX-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081556674 165165567 /nfs/dbraw/zinc/16/55/67/165165567.db2.gz HRGVUXUPRYBOIX-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[N@@H+]1C ZINC000090721302 287104882 /nfs/dbraw/zinc/10/48/82/287104882.db2.gz DBPQPFHGTJKOPT-YPMHNXCESA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[N@H+]1C ZINC000090721302 287104884 /nfs/dbraw/zinc/10/48/84/287104884.db2.gz DBPQPFHGTJKOPT-YPMHNXCESA-N 2 2 297.240 3.021 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cccnc1 ZINC000092720235 165306518 /nfs/dbraw/zinc/30/65/18/165306518.db2.gz RIOLCITXBZESPH-CQSZACIVSA-N 2 2 294.402 3.481 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000093683843 287118601 /nfs/dbraw/zinc/11/86/01/287118601.db2.gz LUFGVMBAPSBWMK-KRWDZBQOSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000093683843 287118603 /nfs/dbraw/zinc/11/86/03/287118603.db2.gz LUFGVMBAPSBWMK-KRWDZBQOSA-N 2 2 290.426 3.442 20 0 CGADLP CC(C)(C)CC[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112698047 287144193 /nfs/dbraw/zinc/14/41/93/287144193.db2.gz SEOXZTRBFDVWFS-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CC[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000112698047 287144194 /nfs/dbraw/zinc/14/41/94/287144194.db2.gz SEOXZTRBFDVWFS-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000116385332 287157303 /nfs/dbraw/zinc/15/73/03/287157303.db2.gz MHRLEVXTUJDTQX-WMZOPIPTSA-N 2 2 274.452 3.472 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCS2)n1-c1ccccc1 ZINC000123947197 287227589 /nfs/dbraw/zinc/22/75/89/287227589.db2.gz OASDOAPFMGMTDX-INIZCTEOSA-N 2 2 287.432 3.166 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCS2)n1-c1ccccc1 ZINC000123947393 287227736 /nfs/dbraw/zinc/22/77/36/287227736.db2.gz OASDOAPFMGMTDX-MRXNPFEDSA-N 2 2 287.432 3.166 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1Cl ZINC000020129000 171016596 /nfs/dbraw/zinc/01/65/96/171016596.db2.gz FSEDNTJSGONIPU-ZDUSSCGKSA-N 2 2 266.816 3.477 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000020189285 171054469 /nfs/dbraw/zinc/05/44/69/171054469.db2.gz ATQMLMRNEVBUCF-GFCCVEGCSA-N 2 2 282.378 3.488 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000020826546 171273550 /nfs/dbraw/zinc/27/35/50/171273550.db2.gz YREJZZNZGPGISO-GOSISDBHSA-N 2 2 297.446 3.348 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)cc1 ZINC000037220367 173038327 /nfs/dbraw/zinc/03/83/27/173038327.db2.gz SMNVZOGKZACKKY-INIZCTEOSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2Cl)C1)[NH+](C)C ZINC000038087784 174100604 /nfs/dbraw/zinc/10/06/04/174100604.db2.gz OLIDWQFKYOKLEB-PNESKVBLSA-N 2 2 266.816 3.126 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127885735 287298107 /nfs/dbraw/zinc/29/81/07/287298107.db2.gz IDBBJKIWJZZDNM-QWHCGFSZSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127885735 287298108 /nfs/dbraw/zinc/29/81/08/287298108.db2.gz IDBBJKIWJZZDNM-QWHCGFSZSA-N 2 2 264.388 3.002 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000044529972 175195399 /nfs/dbraw/zinc/19/53/99/175195399.db2.gz QGCQCLMLOWGGKG-NSHDSACASA-N 2 2 293.461 3.042 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000044529972 175195401 /nfs/dbraw/zinc/19/54/01/175195401.db2.gz QGCQCLMLOWGGKG-NSHDSACASA-N 2 2 293.461 3.042 20 0 CGADLP c1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000077412222 177264873 /nfs/dbraw/zinc/26/48/73/177264873.db2.gz CMAADLFYHIFHIH-DOTOQJQBSA-N 2 2 269.392 3.301 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129858539 287340291 /nfs/dbraw/zinc/34/02/91/287340291.db2.gz QQOKTLQLMXPMSZ-QWHCGFSZSA-N 2 2 280.378 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129858539 287340293 /nfs/dbraw/zinc/34/02/93/287340293.db2.gz QQOKTLQLMXPMSZ-QWHCGFSZSA-N 2 2 280.378 3.429 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000130017116 287343402 /nfs/dbraw/zinc/34/34/02/287343402.db2.gz VDVIVACDYFUEMY-LBPRGKRZSA-N 2 2 267.442 3.058 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364815 543629636 /nfs/dbraw/zinc/62/96/36/543629636.db2.gz OOCTXJWFMDSZIA-MAUKXSAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364815 543629639 /nfs/dbraw/zinc/62/96/39/543629639.db2.gz OOCTXJWFMDSZIA-MAUKXSAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364815 543629642 /nfs/dbraw/zinc/62/96/42/543629642.db2.gz OOCTXJWFMDSZIA-MAUKXSAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364815 543629643 /nfs/dbraw/zinc/62/96/43/543629643.db2.gz OOCTXJWFMDSZIA-MAUKXSAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@@H](CCCCO)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000679328768 543620136 /nfs/dbraw/zinc/62/01/36/543620136.db2.gz SNRKSJXOMSODMH-GJZGRUSLSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680326743 543697225 /nfs/dbraw/zinc/69/72/25/543697225.db2.gz ICYSZGFRPXWXQG-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680326743 543697228 /nfs/dbraw/zinc/69/72/28/543697228.db2.gz ICYSZGFRPXWXQG-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680329840 543697861 /nfs/dbraw/zinc/69/78/61/543697861.db2.gz RMEIFMOKHRBOSJ-OAGGEKHMSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680329840 543697864 /nfs/dbraw/zinc/69/78/64/543697864.db2.gz RMEIFMOKHRBOSJ-OAGGEKHMSA-N 2 2 261.413 3.346 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000679715569 543657758 /nfs/dbraw/zinc/65/77/58/543657758.db2.gz AUZPHJJOTSXBMN-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130402658 287354359 /nfs/dbraw/zinc/35/43/59/287354359.db2.gz UVSYHUVMGGRCLY-INIZCTEOSA-N 2 2 275.371 3.495 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130402658 287354363 /nfs/dbraw/zinc/35/43/63/287354363.db2.gz UVSYHUVMGGRCLY-INIZCTEOSA-N 2 2 275.371 3.495 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)c1ccccc1 ZINC000681779777 543808570 /nfs/dbraw/zinc/80/85/70/543808570.db2.gz HTVNTOPLZRDJSC-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)c1ccccc1 ZINC000681779777 543808573 /nfs/dbraw/zinc/80/85/73/543808573.db2.gz HTVNTOPLZRDJSC-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP COc1cccc2c(N3CCC[C@@H]([NH2+]C(C)C)C3)cc[nH+]c12 ZINC000681976007 543812965 /nfs/dbraw/zinc/81/29/65/543812965.db2.gz BDNVRIISIPBEPQ-CQSZACIVSA-N 2 2 299.418 3.210 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000682672565 543858264 /nfs/dbraw/zinc/85/82/64/543858264.db2.gz DUJJFIVNBKXIIB-KRWDZBQOSA-N 2 2 298.434 3.066 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000682672565 543858267 /nfs/dbraw/zinc/85/82/67/543858267.db2.gz DUJJFIVNBKXIIB-KRWDZBQOSA-N 2 2 298.434 3.066 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734153 543863479 /nfs/dbraw/zinc/86/34/79/543863479.db2.gz YSEUIBNMJBFQKA-STQMWFEESA-N 2 2 274.399 3.132 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734153 543863482 /nfs/dbraw/zinc/86/34/82/543863482.db2.gz YSEUIBNMJBFQKA-STQMWFEESA-N 2 2 274.399 3.132 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000682731770 543862969 /nfs/dbraw/zinc/86/29/69/543862969.db2.gz HYAMDKIBGHTBHC-CXAGYDPISA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000682731770 543862971 /nfs/dbraw/zinc/86/29/71/543862971.db2.gz HYAMDKIBGHTBHC-CXAGYDPISA-N 2 2 288.435 3.101 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000683207307 543904079 /nfs/dbraw/zinc/90/40/79/543904079.db2.gz YLKSVVKZCZVKLB-HNNXBMFYSA-N 2 2 294.389 3.427 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000683207307 543904082 /nfs/dbraw/zinc/90/40/82/543904082.db2.gz YLKSVVKZCZVKLB-HNNXBMFYSA-N 2 2 294.389 3.427 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693902 543932704 /nfs/dbraw/zinc/93/27/04/543932704.db2.gz HLRJBZICQBEBSS-HOCLYGCPSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693902 543932705 /nfs/dbraw/zinc/93/27/05/543932705.db2.gz HLRJBZICQBEBSS-HOCLYGCPSA-N 2 2 276.424 3.207 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000683698344 543933554 /nfs/dbraw/zinc/93/35/54/543933554.db2.gz DEBLRDAKKFFMMA-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000683698344 543933555 /nfs/dbraw/zinc/93/35/55/543933555.db2.gz DEBLRDAKKFFMMA-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022435 543961878 /nfs/dbraw/zinc/96/18/78/543961878.db2.gz LAKLGNXMGJDLCZ-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022435 543961880 /nfs/dbraw/zinc/96/18/80/543961880.db2.gz LAKLGNXMGJDLCZ-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022435 543961882 /nfs/dbraw/zinc/96/18/82/543961882.db2.gz LAKLGNXMGJDLCZ-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022435 543961886 /nfs/dbraw/zinc/96/18/86/543961886.db2.gz LAKLGNXMGJDLCZ-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000684955943 544044077 /nfs/dbraw/zinc/04/40/77/544044077.db2.gz SUSLTNCDURJNDL-KRWDZBQOSA-N 2 2 285.435 3.066 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000685572489 544085475 /nfs/dbraw/zinc/08/54/75/544085475.db2.gz FZJSGAOCMMPMSY-IUODEOHRSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000685572489 544085480 /nfs/dbraw/zinc/08/54/80/544085480.db2.gz FZJSGAOCMMPMSY-IUODEOHRSA-N 2 2 291.439 3.034 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000685840201 544100123 /nfs/dbraw/zinc/10/01/23/544100123.db2.gz OOMWZDUDPYVGGA-QGZVFWFLSA-N 2 2 274.452 3.210 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000685840201 544100125 /nfs/dbraw/zinc/10/01/25/544100125.db2.gz OOMWZDUDPYVGGA-QGZVFWFLSA-N 2 2 274.452 3.210 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@](C)(O)C2CCCCC2)c[nH+]1 ZINC000355166677 227467603 /nfs/dbraw/zinc/46/76/03/227467603.db2.gz RFTYRGUUDSLUNQ-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000664403486 418953404 /nfs/dbraw/zinc/95/34/04/418953404.db2.gz ODTRHHYMLULSIH-CQSZACIVSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664403486 418953409 /nfs/dbraw/zinc/95/34/09/418953409.db2.gz ODTRHHYMLULSIH-CQSZACIVSA-N 2 2 259.397 3.209 20 0 CGADLP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1Cl ZINC000659948112 419041891 /nfs/dbraw/zinc/04/18/91/419041891.db2.gz OAPOOJISAZIYPI-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1Cl ZINC000659948112 419041893 /nfs/dbraw/zinc/04/18/93/419041893.db2.gz OAPOOJISAZIYPI-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000659948112 419041895 /nfs/dbraw/zinc/04/18/95/419041895.db2.gz OAPOOJISAZIYPI-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000659948112 419041897 /nfs/dbraw/zinc/04/18/97/419041897.db2.gz OAPOOJISAZIYPI-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823839 419010171 /nfs/dbraw/zinc/01/01/71/419010171.db2.gz PSLCRUZOZVTXHC-INIZCTEOSA-N 2 2 275.440 3.196 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664823839 419010173 /nfs/dbraw/zinc/01/01/73/419010173.db2.gz PSLCRUZOZVTXHC-INIZCTEOSA-N 2 2 275.440 3.196 20 0 CGADLP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccncc1 ZINC000664834688 419012974 /nfs/dbraw/zinc/01/29/74/419012974.db2.gz ZJPHZAVECYNDTK-KRWDZBQOSA-N 2 2 287.451 3.341 20 0 CGADLP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@H]1c1ccncc1 ZINC000664834688 419012978 /nfs/dbraw/zinc/01/29/78/419012978.db2.gz ZJPHZAVECYNDTK-KRWDZBQOSA-N 2 2 287.451 3.341 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccoc1 ZINC000665257197 419095358 /nfs/dbraw/zinc/09/53/58/419095358.db2.gz CAUPHSJZQNEQDQ-CSMYWGQOSA-N 2 2 288.366 3.215 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@H](C)SC3)cn21 ZINC000655792870 419098811 /nfs/dbraw/zinc/09/88/11/419098811.db2.gz RRYRMDZYGYIWQA-ZFWWWQNUSA-N 2 2 289.448 3.059 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276591 419099547 /nfs/dbraw/zinc/09/95/47/419099547.db2.gz GYKFMRDFAOFTEI-TUBUQKNSSA-N 2 2 258.409 3.213 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1OC(F)F ZINC000665276442 419100144 /nfs/dbraw/zinc/10/01/44/419100144.db2.gz CMEDTEAEKHPRJE-RYCVTPFZSA-N 2 2 296.361 3.081 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)c[nH+]c12 ZINC000655810529 419102923 /nfs/dbraw/zinc/10/29/23/419102923.db2.gz FLWIXOVBNHAJRM-IAGOWNOFSA-N 2 2 299.418 3.080 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665295343 419108657 /nfs/dbraw/zinc/10/86/57/419108657.db2.gz CGCCYTOIAYYJFP-VXGBXAGGSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000665295689 419108985 /nfs/dbraw/zinc/10/89/85/419108985.db2.gz HTHDTZJPBXEENO-UONOGXRCSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000665295719 419109299 /nfs/dbraw/zinc/10/92/99/419109299.db2.gz IDURZSDKTPVHBT-ZJUUUORDSA-N 2 2 269.458 3.008 20 0 CGADLP C1=CCC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660244530 419110199 /nfs/dbraw/zinc/11/01/99/419110199.db2.gz IOGUBFUAPADCJW-UHFFFAOYSA-N 2 2 273.424 3.342 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848250 419117975 /nfs/dbraw/zinc/11/79/75/419117975.db2.gz CGFBBDIFODSNSS-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848250 419117979 /nfs/dbraw/zinc/11/79/79/419117979.db2.gz CGFBBDIFODSNSS-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000655848914 419119844 /nfs/dbraw/zinc/11/98/44/419119844.db2.gz LJKBKSJJYNTMIV-USXIJHARSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000655848914 419119848 /nfs/dbraw/zinc/11/98/48/419119848.db2.gz LJKBKSJJYNTMIV-USXIJHARSA-N 2 2 258.409 3.354 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848956 419119889 /nfs/dbraw/zinc/11/98/89/419119889.db2.gz MKEXCJZVDKYWLZ-UMQBVGHOSA-N 2 2 292.467 3.085 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848956 419119892 /nfs/dbraw/zinc/11/98/92/419119892.db2.gz MKEXCJZVDKYWLZ-UMQBVGHOSA-N 2 2 292.467 3.085 20 0 CGADLP CO[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000659998658 419059048 /nfs/dbraw/zinc/05/90/48/419059048.db2.gz JQKPQZSYHGWNHF-QGZVFWFLSA-N 2 2 291.439 3.115 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@H]1CCCn2cc[nH+]c21)CC(C)C ZINC000655687001 419064931 /nfs/dbraw/zinc/06/49/31/419064931.db2.gz HLJQFTJWKQNYBE-CVEARBPZSA-N 2 2 292.471 3.064 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)C1CCCCC1 ZINC000151131021 287507071 /nfs/dbraw/zinc/50/70/71/287507071.db2.gz HZZJPSCDNKUBMU-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708116 419072990 /nfs/dbraw/zinc/07/29/90/419072990.db2.gz DPOSIJVXTIGGQN-SQNIBIBYSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708113 419073517 /nfs/dbraw/zinc/07/35/17/419073517.db2.gz DPOSIJVXTIGGQN-BZSNNMDCSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655717041 419075247 /nfs/dbraw/zinc/07/52/47/419075247.db2.gz SYMDAOGRSPRLRZ-WBVHZDCISA-N 2 2 270.420 3.117 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655717041 419075249 /nfs/dbraw/zinc/07/52/49/419075249.db2.gz SYMDAOGRSPRLRZ-WBVHZDCISA-N 2 2 270.420 3.117 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1Cl)C2 ZINC000660662425 419179429 /nfs/dbraw/zinc/17/94/29/419179429.db2.gz KCYJKPYPWBBTHZ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(F)c1Cl)C2 ZINC000660662425 419179432 /nfs/dbraw/zinc/17/94/32/419179432.db2.gz KCYJKPYPWBBTHZ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1Cl)C2 ZINC000660662425 419179434 /nfs/dbraw/zinc/17/94/34/419179434.db2.gz KCYJKPYPWBBTHZ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1Cl)C2 ZINC000660662425 419179437 /nfs/dbraw/zinc/17/94/37/419179437.db2.gz KCYJKPYPWBBTHZ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ncccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675793 419181324 /nfs/dbraw/zinc/18/13/24/419181324.db2.gz MKKCLUCVOYKOBB-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CN(CC(C)(C)[NH3+])c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000656608873 419186419 /nfs/dbraw/zinc/18/64/19/419186419.db2.gz NRTKRUXXAIBALN-UHFFFAOYSA-N 2 2 281.762 3.201 20 0 CGADLP C[C@@H]1CCC(C)(C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660755849 419191216 /nfs/dbraw/zinc/19/12/16/419191216.db2.gz UIIBNWDSRLYPHW-RBSFLKMASA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC(C)(C)[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660755849 419191218 /nfs/dbraw/zinc/19/12/18/419191218.db2.gz UIIBNWDSRLYPHW-RBSFLKMASA-N 2 2 252.446 3.227 20 0 CGADLP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657326907 419251399 /nfs/dbraw/zinc/25/13/99/419251399.db2.gz HKHAHKDAWIMSAD-OAHLLOKOSA-N 2 2 299.418 3.003 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789445 419220560 /nfs/dbraw/zinc/22/05/60/419220560.db2.gz ZNBWRNDNZUJQNB-MCFDBRLESA-N 2 2 292.426 3.435 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657285033 419242154 /nfs/dbraw/zinc/24/21/54/419242154.db2.gz UZFBGBXFZDUMFF-UHFFFAOYSA-N 2 2 294.414 3.188 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC000657287331 419242939 /nfs/dbraw/zinc/24/29/39/419242939.db2.gz YFCCFMVSRDFGAQ-BZSNNMDCSA-N 2 2 290.451 3.009 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000661624800 419278848 /nfs/dbraw/zinc/27/88/48/419278848.db2.gz BXFLJWSXUIDGRL-UHFFFAOYSA-N 2 2 263.429 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000661624800 419278850 /nfs/dbraw/zinc/27/88/50/419278850.db2.gz BXFLJWSXUIDGRL-UHFFFAOYSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc2ncsc2c1 ZINC000657439460 419279658 /nfs/dbraw/zinc/27/96/58/419279658.db2.gz GZESVBSGJSGKCJ-LLVKDONJSA-N 2 2 298.415 3.290 20 0 CGADLP CCc1cccc2cc(C[NH2+]CCc3cn(C)c[nH+]3)oc21 ZINC000657487975 419291892 /nfs/dbraw/zinc/29/18/92/419291892.db2.gz DBNTZXLFVZMQNY-UHFFFAOYSA-N 2 2 283.375 3.061 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000657527042 419298405 /nfs/dbraw/zinc/29/84/05/419298405.db2.gz PJJFUVSBJQDJOX-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC000657527042 419298408 /nfs/dbraw/zinc/29/84/08/419298408.db2.gz PJJFUVSBJQDJOX-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4ccccc43)c[nH+]c12 ZINC000657643158 419318147 /nfs/dbraw/zinc/31/81/47/419318147.db2.gz RSESSBZAVWEFDJ-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000657406058 419271632 /nfs/dbraw/zinc/27/16/32/419271632.db2.gz QWQGAYAAFAFDOP-UHFFFAOYSA-N 2 2 270.380 3.022 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000657406058 419271635 /nfs/dbraw/zinc/27/16/35/419271635.db2.gz QWQGAYAAFAFDOP-UHFFFAOYSA-N 2 2 270.380 3.022 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000657742533 419336074 /nfs/dbraw/zinc/33/60/74/419336074.db2.gz SICZOQPORYJZTE-JZIMQPMSSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000657742533 419336077 /nfs/dbraw/zinc/33/60/77/419336077.db2.gz SICZOQPORYJZTE-JZIMQPMSSA-N 2 2 280.362 3.052 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000657757797 419338373 /nfs/dbraw/zinc/33/83/73/419338373.db2.gz WGGVDGTTYZWCJH-CQSZACIVSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3c(C)cccc32)n1C ZINC000657799874 419362028 /nfs/dbraw/zinc/36/20/28/419362028.db2.gz ZVTMNCRFZZNYSD-KRWDZBQOSA-N 2 2 269.392 3.204 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000657883173 419404399 /nfs/dbraw/zinc/40/43/99/419404399.db2.gz YOZPPWOBBYIDST-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000657883173 419404406 /nfs/dbraw/zinc/40/44/06/419404406.db2.gz YOZPPWOBBYIDST-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055110 419523545 /nfs/dbraw/zinc/52/35/45/419523545.db2.gz LYQUFASOISIRRC-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055110 419523551 /nfs/dbraw/zinc/52/35/51/419523551.db2.gz LYQUFASOISIRRC-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658055405 419525191 /nfs/dbraw/zinc/52/51/91/419525191.db2.gz IPXSXZCWJNPPRB-HIFRSBDPSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658055405 419525201 /nfs/dbraw/zinc/52/52/01/419525201.db2.gz IPXSXZCWJNPPRB-HIFRSBDPSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059204 419532353 /nfs/dbraw/zinc/53/23/53/419532353.db2.gz VYIPRTLPPAMIIR-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059204 419532364 /nfs/dbraw/zinc/53/23/64/419532364.db2.gz VYIPRTLPPAMIIR-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000658092834 419567720 /nfs/dbraw/zinc/56/77/20/419567720.db2.gz RPPQDESTLPYQEO-HOCLYGCPSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000658092834 419567729 /nfs/dbraw/zinc/56/77/29/419567729.db2.gz RPPQDESTLPYQEO-HOCLYGCPSA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000658119168 419596136 /nfs/dbraw/zinc/59/61/36/419596136.db2.gz CIKLHSKBMHXVKU-JZXOWHBKSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000658119168 419596148 /nfs/dbraw/zinc/59/61/48/419596148.db2.gz CIKLHSKBMHXVKU-JZXOWHBKSA-N 2 2 289.467 3.318 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCC[N@@H+](C)C(C)C)[nH+]1 ZINC000663521511 419643775 /nfs/dbraw/zinc/64/37/75/419643775.db2.gz JXMSAZKDLLQKMY-UHFFFAOYSA-N 2 2 275.318 3.161 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCC[N@H+](C)C(C)C)[nH+]1 ZINC000663521511 419643784 /nfs/dbraw/zinc/64/37/84/419643784.db2.gz JXMSAZKDLLQKMY-UHFFFAOYSA-N 2 2 275.318 3.161 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000663578643 419653946 /nfs/dbraw/zinc/65/39/46/419653946.db2.gz ITLIHWJMEQQAQR-LLVKDONJSA-N 2 2 287.329 3.163 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000663578643 419653957 /nfs/dbraw/zinc/65/39/57/419653957.db2.gz ITLIHWJMEQQAQR-LLVKDONJSA-N 2 2 287.329 3.163 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283940 419729114 /nfs/dbraw/zinc/72/91/14/419729114.db2.gz FBHIRKTYTIZSGR-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283940 419729125 /nfs/dbraw/zinc/72/91/25/419729125.db2.gz FBHIRKTYTIZSGR-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287293 419739652 /nfs/dbraw/zinc/73/96/52/419739652.db2.gz YSBVRSZYEPGNGC-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287293 419739657 /nfs/dbraw/zinc/73/96/57/419739657.db2.gz YSBVRSZYEPGNGC-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293268 419742817 /nfs/dbraw/zinc/74/28/17/419742817.db2.gz LDJIFEBPUDAULP-APSKQVOWSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC(F)CC1 ZINC000658293268 419742822 /nfs/dbraw/zinc/74/28/22/419742822.db2.gz LDJIFEBPUDAULP-APSKQVOWSA-N 2 2 268.420 3.118 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263741 419720310 /nfs/dbraw/zinc/72/03/10/419720310.db2.gz LVMCXOVPYORODH-LIRZEXBASA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263741 419720320 /nfs/dbraw/zinc/72/03/20/419720320.db2.gz LVMCXOVPYORODH-LIRZEXBASA-N 2 2 270.420 3.005 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1Br ZINC000228338043 261937218 /nfs/dbraw/zinc/93/72/18/261937218.db2.gz GEUTTYMHBSEXBI-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1Br ZINC000228338043 261937220 /nfs/dbraw/zinc/93/72/20/261937220.db2.gz GEUTTYMHBSEXBI-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000037240827 270029411 /nfs/dbraw/zinc/02/94/11/270029411.db2.gz AAPZGBVNZWGANN-WBVHZDCISA-N 2 2 292.467 3.192 20 0 CGADLP CCC(CC)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325805 270029466 /nfs/dbraw/zinc/02/94/66/270029466.db2.gz UOTLROZMRDSRML-KRWDZBQOSA-N 2 2 260.425 3.429 20 0 CGADLP CCC(CC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325805 270029467 /nfs/dbraw/zinc/02/94/67/270029467.db2.gz UOTLROZMRDSRML-KRWDZBQOSA-N 2 2 260.425 3.429 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819006 270087779 /nfs/dbraw/zinc/08/77/79/270087779.db2.gz NEQWYWRKBQGUNT-AVVWSFFYSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000228819006 270087780 /nfs/dbraw/zinc/08/77/80/270087780.db2.gz NEQWYWRKBQGUNT-AVVWSFFYSA-N 2 2 278.827 3.270 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000250395314 270091463 /nfs/dbraw/zinc/09/14/63/270091463.db2.gz YMOBZXLPPVDXAC-WBVHZDCISA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000250395314 270091464 /nfs/dbraw/zinc/09/14/64/270091464.db2.gz YMOBZXLPPVDXAC-WBVHZDCISA-N 2 2 260.425 3.438 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915583 270094609 /nfs/dbraw/zinc/09/46/09/270094609.db2.gz SYMJVYQEQDHVFP-QGTPRVQTSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915583 270094610 /nfs/dbraw/zinc/09/46/10/270094610.db2.gz SYMJVYQEQDHVFP-QGTPRVQTSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977517 270121611 /nfs/dbraw/zinc/12/16/11/270121611.db2.gz PFQROWIMLGVNBB-HUUCEWRRSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977517 270121612 /nfs/dbraw/zinc/12/16/12/270121612.db2.gz PFQROWIMLGVNBB-HUUCEWRRSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000525977517 270121613 /nfs/dbraw/zinc/12/16/13/270121613.db2.gz PFQROWIMLGVNBB-HUUCEWRRSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000525977517 270121614 /nfs/dbraw/zinc/12/16/14/270121614.db2.gz PFQROWIMLGVNBB-HUUCEWRRSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751679 270134301 /nfs/dbraw/zinc/13/43/01/270134301.db2.gz KIADWSHHOKXZAR-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527751679 270134302 /nfs/dbraw/zinc/13/43/02/270134302.db2.gz KIADWSHHOKXZAR-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C([NH2+]C1CCCCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753004 270134400 /nfs/dbraw/zinc/13/44/00/270134400.db2.gz RELVSSOYPCVXIH-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527753004 270134401 /nfs/dbraw/zinc/13/44/01/270134401.db2.gz RELVSSOYPCVXIH-MRXNPFEDSA-N 2 2 250.430 3.316 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527811635 270137935 /nfs/dbraw/zinc/13/79/35/270137935.db2.gz YKGNDKOSMVBLHU-AHKGRUIUSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527811635 270137936 /nfs/dbraw/zinc/13/79/36/270137936.db2.gz YKGNDKOSMVBLHU-AHKGRUIUSA-N 2 2 270.420 3.306 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527865844 270140559 /nfs/dbraw/zinc/14/05/59/270140559.db2.gz VLCVUHGZBKJWIR-XGUBFFRZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527865844 270140560 /nfs/dbraw/zinc/14/05/60/270140560.db2.gz VLCVUHGZBKJWIR-XGUBFFRZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527948873 270146397 /nfs/dbraw/zinc/14/63/97/270146397.db2.gz MPAUZHIMTFJWSM-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527948873 270146398 /nfs/dbraw/zinc/14/63/98/270146398.db2.gz MPAUZHIMTFJWSM-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993466 270149047 /nfs/dbraw/zinc/14/90/47/270149047.db2.gz VPEBGHUEEDWIIV-JECHBYEQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993466 270149048 /nfs/dbraw/zinc/14/90/48/270149048.db2.gz VPEBGHUEEDWIIV-JECHBYEQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000528015820 270151363 /nfs/dbraw/zinc/15/13/63/270151363.db2.gz ZCNLSYFDTGZHBS-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000528015820 270151364 /nfs/dbraw/zinc/15/13/64/270151364.db2.gz ZCNLSYFDTGZHBS-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014262 270151430 /nfs/dbraw/zinc/15/14/30/270151430.db2.gz UIQQFGZBNIJDRD-HOCLYGCPSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014262 270151431 /nfs/dbraw/zinc/15/14/31/270151431.db2.gz UIQQFGZBNIJDRD-HOCLYGCPSA-N 2 2 273.424 3.058 20 0 CGADLP C/C(Cl)=C/C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387744 270163627 /nfs/dbraw/zinc/16/36/27/270163627.db2.gz MXDVLULBXYEFEI-XMRSSTEGSA-N 2 2 256.821 3.079 20 0 CGADLP C/C(Cl)=C/C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387744 270163628 /nfs/dbraw/zinc/16/36/28/270163628.db2.gz MXDVLULBXYEFEI-XMRSSTEGSA-N 2 2 256.821 3.079 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H](C)C2CCCCC2)n1C ZINC000529669437 270187400 /nfs/dbraw/zinc/18/74/00/270187400.db2.gz DJMFIZKKWTZQQS-ZDUSSCGKSA-N 2 2 263.429 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)C[C@H](C)C2CCCCC2)n1C ZINC000529669437 270187401 /nfs/dbraw/zinc/18/74/01/270187401.db2.gz DJMFIZKKWTZQQS-ZDUSSCGKSA-N 2 2 263.429 3.377 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1csc(Cl)c1 ZINC000530215691 270195955 /nfs/dbraw/zinc/19/59/55/270195955.db2.gz HZKNXXXBLSZGOH-KOLCDFICSA-N 2 2 270.829 3.337 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530217711 270196290 /nfs/dbraw/zinc/19/62/90/270196290.db2.gz HBRARYGNAUZSQD-JKSUJKDBSA-N 2 2 274.383 3.151 20 0 CGADLP C[C@]1(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]C1 ZINC000530249752 270197477 /nfs/dbraw/zinc/19/74/77/270197477.db2.gz YSYCAWCZNCUIOL-HNNXBMFYSA-N 2 2 298.352 3.063 20 0 CGADLP C[C@]1(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]C1 ZINC000530249752 270197478 /nfs/dbraw/zinc/19/74/78/270197478.db2.gz YSYCAWCZNCUIOL-HNNXBMFYSA-N 2 2 298.352 3.063 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000531939960 270211052 /nfs/dbraw/zinc/21/10/52/270211052.db2.gz BWYIVZLQYIYUMZ-VXGBXAGGSA-N 2 2 293.798 3.284 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531969605 270211900 /nfs/dbraw/zinc/21/19/00/270211900.db2.gz HUAAMZFARFLTMH-UMVBOHGHSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531969605 270211901 /nfs/dbraw/zinc/21/19/01/270211901.db2.gz HUAAMZFARFLTMH-UMVBOHGHSA-N 2 2 252.446 3.274 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531983629 270212540 /nfs/dbraw/zinc/21/25/40/270212540.db2.gz HJCNYADAPUEFDB-KSSFIOAISA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531983629 270212541 /nfs/dbraw/zinc/21/25/41/270212541.db2.gz HJCNYADAPUEFDB-KSSFIOAISA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2n1 ZINC000427856957 274263623 /nfs/dbraw/zinc/26/36/23/274263623.db2.gz HLUZVFXPCIHWNH-HIFRSBDPSA-N 2 2 292.386 3.097 20 0 CGADLP C[C@@H]1CC(CC[NH2+]Cc2cccc3[nH+]ccn32)C[C@@H](C)O1 ZINC000338478381 274282927 /nfs/dbraw/zinc/28/29/27/274282927.db2.gz WGFNZUSGBDIARC-ZIAGYGMSSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094339009 274353009 /nfs/dbraw/zinc/35/30/09/274353009.db2.gz TXNXJMJYPBMOGN-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094339009 274353010 /nfs/dbraw/zinc/35/30/10/274353010.db2.gz TXNXJMJYPBMOGN-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000359586028 275076899 /nfs/dbraw/zinc/07/68/99/275076899.db2.gz CIWWGWXETFCWOQ-HNNXBMFYSA-N 2 2 295.430 3.394 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000424183783 275791248 /nfs/dbraw/zinc/79/12/48/275791248.db2.gz WRNUYUNUCMYXCP-MLGOLLRUSA-N 2 2 271.364 3.076 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000494426766 275994754 /nfs/dbraw/zinc/99/47/54/275994754.db2.gz CMWFJNRARSGARE-UGUYLWEFSA-N 2 2 275.440 3.248 20 0 CGADLP CCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337406115 276040089 /nfs/dbraw/zinc/04/00/89/276040089.db2.gz JKLPARSYRJYBLT-USXIJHARSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337406115 276040090 /nfs/dbraw/zinc/04/00/90/276040090.db2.gz JKLPARSYRJYBLT-USXIJHARSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337406115 276040091 /nfs/dbraw/zinc/04/00/91/276040091.db2.gz JKLPARSYRJYBLT-USXIJHARSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337406115 276040092 /nfs/dbraw/zinc/04/00/92/276040092.db2.gz JKLPARSYRJYBLT-USXIJHARSA-N 2 2 275.440 3.195 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436248349 276132490 /nfs/dbraw/zinc/13/24/90/276132490.db2.gz BAISEQJBTSSPEK-SJORKVTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436248349 276132491 /nfs/dbraw/zinc/13/24/91/276132491.db2.gz BAISEQJBTSSPEK-SJORKVTESA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000019960349 276174790 /nfs/dbraw/zinc/17/47/90/276174790.db2.gz SQXPAALMJCORDM-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000019960349 276174791 /nfs/dbraw/zinc/17/47/91/276174791.db2.gz SQXPAALMJCORDM-UKRRQHHQSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000492414961 276243384 /nfs/dbraw/zinc/24/33/84/276243384.db2.gz DAEOKAHOIJERPP-OLMNPRSZSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000492414961 276243385 /nfs/dbraw/zinc/24/33/85/276243385.db2.gz DAEOKAHOIJERPP-OLMNPRSZSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449060779 276373028 /nfs/dbraw/zinc/37/30/28/276373028.db2.gz UAIAQYSHVMQFNI-MLGOLLRUSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449060779 276373029 /nfs/dbraw/zinc/37/30/29/276373029.db2.gz UAIAQYSHVMQFNI-MLGOLLRUSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000359076140 276373241 /nfs/dbraw/zinc/37/32/41/276373241.db2.gz AKGMSTFBSRTUEC-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000359076140 276373243 /nfs/dbraw/zinc/37/32/43/276373243.db2.gz AKGMSTFBSRTUEC-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427890980 276588370 /nfs/dbraw/zinc/58/83/70/276588370.db2.gz KSOOFAXHOGYNIT-TUVASFSCSA-N 2 2 261.413 3.002 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339199856 277064419 /nfs/dbraw/zinc/06/44/19/277064419.db2.gz DCOKZHAZYKAFLH-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339199856 277064420 /nfs/dbraw/zinc/06/44/20/277064420.db2.gz DCOKZHAZYKAFLH-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000318338839 287944213 /nfs/dbraw/zinc/94/42/13/287944213.db2.gz ASPMCTQHCPVJAB-RRQGHBQHSA-N 2 2 299.418 3.336 20 0 CGADLP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000415076412 277281806 /nfs/dbraw/zinc/28/18/06/277281806.db2.gz BCCCKZWDQNZRIA-SWLSCSKDSA-N 2 2 298.858 3.394 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000123267158 277301128 /nfs/dbraw/zinc/30/11/28/277301128.db2.gz YJEJMCGVHZIAON-MFKMUULPSA-N 2 2 272.314 3.060 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000123267158 277301130 /nfs/dbraw/zinc/30/11/30/277301130.db2.gz YJEJMCGVHZIAON-MFKMUULPSA-N 2 2 272.314 3.060 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423024218 277629260 /nfs/dbraw/zinc/62/92/60/277629260.db2.gz IRSQVPKXXWXEDA-BYCMXARLSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1cnc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000394744484 288003475 /nfs/dbraw/zinc/00/34/75/288003475.db2.gz KKHDQXKZABFSNK-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP Cc1cnc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000394744484 288003478 /nfs/dbraw/zinc/00/34/78/288003478.db2.gz KKHDQXKZABFSNK-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000338794293 278024733 /nfs/dbraw/zinc/02/47/33/278024733.db2.gz LKIAUCLVXPYESB-OKILXGFUSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cc(C)[nH+]c12 ZINC000338794293 278024734 /nfs/dbraw/zinc/02/47/34/278024734.db2.gz LKIAUCLVXPYESB-OKILXGFUSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137913 278277996 /nfs/dbraw/zinc/27/79/96/278277996.db2.gz SJWHTBRJFHFFLV-NTZNESFSSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137913 278277998 /nfs/dbraw/zinc/27/79/98/278277998.db2.gz SJWHTBRJFHFFLV-NTZNESFSSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1Cl ZINC000421820636 278283385 /nfs/dbraw/zinc/28/33/85/278283385.db2.gz NEGLUXILLPKTPN-AVGNSLFASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1Cl ZINC000421820636 278283386 /nfs/dbraw/zinc/28/33/86/278283386.db2.gz NEGLUXILLPKTPN-AVGNSLFASA-N 2 2 279.815 3.012 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CS[C@@H](C)C2)n1-c1ccccc1 ZINC000397840976 288032024 /nfs/dbraw/zinc/03/20/24/288032024.db2.gz QMCISTABRIRMIG-JSGCOSHPSA-N 2 2 287.432 3.164 20 0 CGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCCC1 ZINC000474478064 278353593 /nfs/dbraw/zinc/35/35/93/278353593.db2.gz JPBIYCTWRWYWEI-QAPCUYQASA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422863724 278357493 /nfs/dbraw/zinc/35/74/93/278357493.db2.gz PMSSFGLUAXATBD-RNCFNFMXSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)[C@@H]1CCC[NH2+]1 ZINC000422943231 278374716 /nfs/dbraw/zinc/37/47/16/278374716.db2.gz XSNBXHIWAZCOPB-WKPIXPDZSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328160 278384765 /nfs/dbraw/zinc/38/47/65/278384765.db2.gz ISZHYDVPCHRTIP-HIFRSBDPSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328160 278384767 /nfs/dbraw/zinc/38/47/67/278384767.db2.gz ISZHYDVPCHRTIP-HIFRSBDPSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000346219145 278467632 /nfs/dbraw/zinc/46/76/32/278467632.db2.gz RCSDWGIGERZKSS-HIFRSBDPSA-N 2 2 261.413 3.415 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)[C@@H]1C[C@@H]1C ZINC000414159930 288084703 /nfs/dbraw/zinc/08/47/03/288084703.db2.gz YWVPFSSCHKBCQP-HNONPPJISA-N 2 2 290.451 3.322 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000459400163 288089026 /nfs/dbraw/zinc/08/90/26/288089026.db2.gz ZORKDERKHCMXFA-HNNXBMFYSA-N 2 2 283.419 3.455 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000459400163 288089027 /nfs/dbraw/zinc/08/90/27/288089027.db2.gz ZORKDERKHCMXFA-HNNXBMFYSA-N 2 2 283.419 3.455 20 0 CGADLP C[C@@H]1Cc2c([nH+]cn2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000451343661 279010766 /nfs/dbraw/zinc/01/07/66/279010766.db2.gz PQGCCANUFOTUBT-LSDHHAIUSA-N 2 2 275.440 3.130 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300515448 279027084 /nfs/dbraw/zinc/02/70/84/279027084.db2.gz LFNANLCACCTZJG-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300515448 279027085 /nfs/dbraw/zinc/02/70/85/279027085.db2.gz LFNANLCACCTZJG-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000111361229 279079493 /nfs/dbraw/zinc/07/94/93/279079493.db2.gz LPXJTQXHMOADBN-NSHDSACASA-N 2 2 279.453 3.037 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCCC(C)(C)C ZINC000347278915 279115972 /nfs/dbraw/zinc/11/59/72/279115972.db2.gz FIXKYUJAURTYBL-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCCC(C)(C)C ZINC000347278915 279115973 /nfs/dbraw/zinc/11/59/73/279115973.db2.gz FIXKYUJAURTYBL-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000414682820 279179417 /nfs/dbraw/zinc/17/94/17/279179417.db2.gz YZKYHUWORNDPOR-HOTGVXAUSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000414682820 279179419 /nfs/dbraw/zinc/17/94/19/279179419.db2.gz YZKYHUWORNDPOR-HOTGVXAUSA-N 2 2 264.388 3.336 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000427864932 279550363 /nfs/dbraw/zinc/55/03/63/279550363.db2.gz GLSOSMPYOTUJTC-MCMJNGCASA-N 2 2 299.462 3.392 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000357009749 279678906 /nfs/dbraw/zinc/67/89/06/279678906.db2.gz RIARBXDMVXLVAK-UONOGXRCSA-N 2 2 261.413 3.415 20 0 CGADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1C(C)C ZINC000527043062 288155930 /nfs/dbraw/zinc/15/59/30/288155930.db2.gz ITVIDPPWESGSMW-CQSZACIVSA-N 2 2 289.427 3.100 20 0 CGADLP CCc1cnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000527049541 288156578 /nfs/dbraw/zinc/15/65/78/288156578.db2.gz DFGSRYDLMVAHTC-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000261646166 280377002 /nfs/dbraw/zinc/37/70/02/280377002.db2.gz AOUWBRUXUJPXMV-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000261646166 280377004 /nfs/dbraw/zinc/37/70/04/280377004.db2.gz AOUWBRUXUJPXMV-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422977661 280688764 /nfs/dbraw/zinc/68/87/64/280688764.db2.gz XDQGAPPNNIJWRK-NWANDNLSSA-N 2 2 276.424 3.332 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]1 ZINC000529524443 288258027 /nfs/dbraw/zinc/25/80/27/288258027.db2.gz AWKXFIQEWFNOGF-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH]1 ZINC000529524443 288258030 /nfs/dbraw/zinc/25/80/30/288258030.db2.gz AWKXFIQEWFNOGF-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000373022913 280699388 /nfs/dbraw/zinc/69/93/88/280699388.db2.gz VKLBYWQKXSUOMV-INIZCTEOSA-N 2 2 283.419 3.464 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000480914431 280758389 /nfs/dbraw/zinc/75/83/89/280758389.db2.gz QEUQKUVTHLKIEG-ZMSDIMECSA-N 2 2 262.441 3.184 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)CCC2 ZINC000346798526 281122597 /nfs/dbraw/zinc/12/25/97/281122597.db2.gz UXGILOBOJOTWND-ZTFGCOKTSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)CCC2 ZINC000346798526 281122600 /nfs/dbraw/zinc/12/26/00/281122600.db2.gz UXGILOBOJOTWND-ZTFGCOKTSA-N 2 2 272.436 3.445 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179088 288295947 /nfs/dbraw/zinc/29/59/47/288295947.db2.gz STQVSQSCZAMPSA-SFHVURJKSA-N 2 2 296.414 3.223 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000531725617 288343551 /nfs/dbraw/zinc/34/35/51/288343551.db2.gz CVQSYFLVTNSFFH-KBAYOESNSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000531725617 288343554 /nfs/dbraw/zinc/34/35/54/288343554.db2.gz CVQSYFLVTNSFFH-KBAYOESNSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000532238657 288357223 /nfs/dbraw/zinc/35/72/23/288357223.db2.gz BALUEZUQRGXQTE-BZUAXINKSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000532238657 288357226 /nfs/dbraw/zinc/35/72/26/288357226.db2.gz BALUEZUQRGXQTE-BZUAXINKSA-N 2 2 260.425 3.110 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532479237 288364253 /nfs/dbraw/zinc/36/42/53/288364253.db2.gz CYHZGQUDGSCEKO-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532479237 288364257 /nfs/dbraw/zinc/36/42/57/288364257.db2.gz CYHZGQUDGSCEKO-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532479238 288364384 /nfs/dbraw/zinc/36/43/84/288364384.db2.gz CYHZGQUDGSCEKO-CWRNSKLLSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532479238 288364387 /nfs/dbraw/zinc/36/43/87/288364387.db2.gz CYHZGQUDGSCEKO-CWRNSKLLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](c1ccccn1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573756 288451487 /nfs/dbraw/zinc/45/14/87/288451487.db2.gz GRRKJHBPOQBLRE-CQSZACIVSA-N 2 2 282.391 3.114 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000548885153 289028078 /nfs/dbraw/zinc/02/80/78/289028078.db2.gz OGPQZGZOCRQLJZ-KSZLIROESA-N 2 2 281.403 3.210 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549196658 289037470 /nfs/dbraw/zinc/03/74/70/289037470.db2.gz RFELWTPMKKJQHJ-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549196658 289037471 /nfs/dbraw/zinc/03/74/71/289037471.db2.gz RFELWTPMKKJQHJ-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550648255 289080147 /nfs/dbraw/zinc/08/01/47/289080147.db2.gz ZVGSCYDRFNBGDU-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000550648255 289080149 /nfs/dbraw/zinc/08/01/49/289080149.db2.gz ZVGSCYDRFNBGDU-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP CC(C)[NH+](CCN[C@@H](C)c1cn2ccccc2[nH+]1)C(C)C ZINC000551267194 289106491 /nfs/dbraw/zinc/10/64/91/289106491.db2.gz OEQUDTPIIBPLHH-HNNXBMFYSA-N 2 2 288.439 3.104 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000551542897 289121207 /nfs/dbraw/zinc/12/12/07/289121207.db2.gz NUBXXHUSWKEPCO-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000551542897 289121209 /nfs/dbraw/zinc/12/12/09/289121209.db2.gz NUBXXHUSWKEPCO-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000552146596 289168451 /nfs/dbraw/zinc/16/84/51/289168451.db2.gz PQRGSKDBQAEYMW-LEUOFYLZSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000552146596 289168453 /nfs/dbraw/zinc/16/84/53/289168453.db2.gz PQRGSKDBQAEYMW-LEUOFYLZSA-N 2 2 290.426 3.377 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000554074397 289255723 /nfs/dbraw/zinc/25/57/23/289255723.db2.gz WRPFOVISBQWMDL-IMJJTQAJSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000554074397 289255724 /nfs/dbraw/zinc/25/57/24/289255724.db2.gz WRPFOVISBQWMDL-IMJJTQAJSA-N 2 2 264.457 3.418 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000554089803 289257263 /nfs/dbraw/zinc/25/72/63/289257263.db2.gz WXDVOHOMMRSCMI-UONOGXRCSA-N 2 2 286.419 3.449 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000554725092 289304491 /nfs/dbraw/zinc/30/44/91/289304491.db2.gz KIPMJWLKOHZXKR-OWLYRPNTSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000554725092 289304492 /nfs/dbraw/zinc/30/44/92/289304492.db2.gz KIPMJWLKOHZXKR-OWLYRPNTSA-N 2 2 272.436 3.285 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000554880281 289316452 /nfs/dbraw/zinc/31/64/52/289316452.db2.gz DVUOBFSAAMMSPX-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000554880281 289316453 /nfs/dbraw/zinc/31/64/53/289316453.db2.gz DVUOBFSAAMMSPX-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000554889765 289317490 /nfs/dbraw/zinc/31/74/90/289317490.db2.gz IDHMHKQWMCWZSE-WCZJQEMASA-N 2 2 281.403 3.357 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643826 289355724 /nfs/dbraw/zinc/35/57/24/289355724.db2.gz HRTZAUPNLKQPRI-QCQGSNGOSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643826 289355727 /nfs/dbraw/zinc/35/57/27/289355727.db2.gz HRTZAUPNLKQPRI-QCQGSNGOSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213540 289377626 /nfs/dbraw/zinc/37/76/26/289377626.db2.gz RATBDGAUHFLWDZ-TZMCWYRMSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213540 289377627 /nfs/dbraw/zinc/37/76/27/289377627.db2.gz RATBDGAUHFLWDZ-TZMCWYRMSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH+](C)C ZINC000558257444 289483943 /nfs/dbraw/zinc/48/39/43/289483943.db2.gz MSVDEAQGVDXVKG-SNVBAGLBSA-N 2 2 275.223 3.076 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000560249970 289579370 /nfs/dbraw/zinc/57/93/70/289579370.db2.gz KJKYZAPGTRVBNH-PMPSAXMXSA-N 2 2 284.488 3.290 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000562564388 289715489 /nfs/dbraw/zinc/71/54/89/289715489.db2.gz GCRRTPXZNRQISQ-ZIAGYGMSSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000177195351 290036077 /nfs/dbraw/zinc/03/60/77/290036077.db2.gz CQPTZOBJYVACQS-WMLDXEAASA-N 2 2 258.409 3.212 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442871780 294334108 /nfs/dbraw/zinc/33/41/08/294334108.db2.gz GSEMWXOQMNUWKP-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000085129616 294679108 /nfs/dbraw/zinc/67/91/08/294679108.db2.gz YZCFJYJMMDQNOA-STQMWFEESA-N 2 2 278.362 3.183 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1CCCC1 ZINC000423496673 295244016 /nfs/dbraw/zinc/24/40/16/295244016.db2.gz FGRHZOYOOCGYLD-QWHCGFSZSA-N 2 2 298.352 3.198 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CC2)c2ccccc21 ZINC000335600940 295325041 /nfs/dbraw/zinc/32/50/41/295325041.db2.gz DMMRXDMUXIGIHG-SJORKVTESA-N 2 2 264.372 3.410 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423233722 301285051 /nfs/dbraw/zinc/28/50/51/301285051.db2.gz KLFMOTNWBXAPGK-SWLSCSKDSA-N 2 2 294.826 3.204 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc2ccccc2c1 ZINC000414945249 303393656 /nfs/dbraw/zinc/39/36/56/303393656.db2.gz RIHOLLDWMAGQOK-IAGOWNOFSA-N 2 2 286.444 3.325 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000580142979 327708185 /nfs/dbraw/zinc/70/81/85/327708185.db2.gz GIOBRAJZPUZUPN-UHFFFAOYSA-N 2 2 274.408 3.014 20 0 CGADLP COc1cc(C)[nH+]c(CNc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414813259 533702513 /nfs/dbraw/zinc/70/25/13/533702513.db2.gz QMYSYVAGDBGBGV-LBPRGKRZSA-N 2 2 271.364 3.030 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162235482 321880277 /nfs/dbraw/zinc/88/02/77/321880277.db2.gz UJCZZKXEQGMQMV-OAHLLOKOSA-N 2 2 275.440 3.070 20 0 CGADLP c1ccc(NCCCC[NH2+]C(C2CC2)C2CC2)[nH+]c1 ZINC000162847053 321887666 /nfs/dbraw/zinc/88/76/66/321887666.db2.gz CURURBYQZMPZBA-UHFFFAOYSA-N 2 2 259.397 3.052 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000563796016 322010468 /nfs/dbraw/zinc/01/04/68/322010468.db2.gz QUZQRKOPUWLIMK-QGZVFWFLSA-N 2 2 290.357 3.317 20 0 CGADLP CCc1cccc(C[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000565080353 322058649 /nfs/dbraw/zinc/05/86/49/322058649.db2.gz YZQCDNQQWFAGRC-UHFFFAOYSA-N 2 2 254.377 3.285 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2ccccc21 ZINC000566062400 322101998 /nfs/dbraw/zinc/10/19/98/322101998.db2.gz CVXQWBBXBWACPJ-MJGOQNOKSA-N 2 2 293.414 3.195 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ncc(-c2ccccc2)n1C ZINC000566556184 322129447 /nfs/dbraw/zinc/12/94/47/322129447.db2.gz HLSZIADLIOABBD-FVQBIDKESA-N 2 2 298.434 3.008 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000567478186 322164839 /nfs/dbraw/zinc/16/48/39/322164839.db2.gz IHRFFQNLLXSHLS-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000567734508 322175109 /nfs/dbraw/zinc/17/51/09/322175109.db2.gz MRRNRLUXCBXIIM-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000567734508 322175111 /nfs/dbraw/zinc/17/51/11/322175111.db2.gz MRRNRLUXCBXIIM-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000567781324 322177790 /nfs/dbraw/zinc/17/77/90/322177790.db2.gz BQRHBCPHDOKQFF-SJORKVTESA-N 2 2 276.424 3.116 20 0 CGADLP Cn1c[nH+]cc1CCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000568169564 322196059 /nfs/dbraw/zinc/19/60/59/322196059.db2.gz NRPWCLWYGCCTCF-UHFFFAOYSA-N 2 2 299.374 3.241 20 0 CGADLP c1ccc2c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)noc2c1 ZINC000568238659 322199842 /nfs/dbraw/zinc/19/98/42/322199842.db2.gz ZJBMXNBDYGEKAA-UHFFFAOYSA-N 2 2 299.418 3.324 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568269606 322201859 /nfs/dbraw/zinc/20/18/59/322201859.db2.gz QSNPGQPLLGIJPU-KGLIPLIRSA-N 2 2 261.413 3.146 20 0 CGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1[nH+]ccc2ccc(F)cc21 ZINC000569205124 322238864 /nfs/dbraw/zinc/23/88/64/322238864.db2.gz GWGBACWDZSXKRO-FFMGESDNSA-N 2 2 285.366 3.302 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570201350 322267490 /nfs/dbraw/zinc/26/74/90/322267490.db2.gz VCTVPBHQHQVSHQ-AWEZNQCLSA-N 2 2 259.397 3.149 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000572326963 322331942 /nfs/dbraw/zinc/33/19/42/322331942.db2.gz OLVFXIWKRAIPIC-ZIAGYGMSSA-N 2 2 263.429 3.463 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000572326963 322331944 /nfs/dbraw/zinc/33/19/44/322331944.db2.gz OLVFXIWKRAIPIC-ZIAGYGMSSA-N 2 2 263.429 3.463 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000572782538 322354941 /nfs/dbraw/zinc/35/49/41/322354941.db2.gz VXMQMJNYDQELRV-MRXNPFEDSA-N 2 2 257.381 3.360 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccncn1)[N@H+](C)Cc1ccccc1 ZINC000379641208 330146101 /nfs/dbraw/zinc/14/61/01/330146101.db2.gz CXQRSIYLYLSYOP-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccncn1)[N@@H+](C)Cc1ccccc1 ZINC000379641208 330146102 /nfs/dbraw/zinc/14/61/02/330146102.db2.gz CXQRSIYLYLSYOP-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncn1 ZINC000379641211 330146131 /nfs/dbraw/zinc/14/61/31/330146131.db2.gz CXQRSIYLYLSYOP-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccncn1 ZINC000379641211 330146132 /nfs/dbraw/zinc/14/61/32/330146132.db2.gz CXQRSIYLYLSYOP-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000576088528 335151481 /nfs/dbraw/zinc/15/14/81/335151481.db2.gz YICUFBVXFZYKSP-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000576088528 335151482 /nfs/dbraw/zinc/15/14/82/335151482.db2.gz YICUFBVXFZYKSP-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1C ZINC000580572406 335286024 /nfs/dbraw/zinc/28/60/24/335286024.db2.gz UYRDGNIDWQFLPK-VXGBXAGGSA-N 2 2 289.345 3.187 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000580636262 335307684 /nfs/dbraw/zinc/30/76/84/335307684.db2.gz JHEHHYUMEKKPJH-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000580636262 335307685 /nfs/dbraw/zinc/30/76/85/335307685.db2.gz JHEHHYUMEKKPJH-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP CC1=C(C)C[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)CC1 ZINC000577515287 335363635 /nfs/dbraw/zinc/36/36/35/335363635.db2.gz RMLRWTMHULUBEO-CQSZACIVSA-N 2 2 296.374 3.342 20 0 CGADLP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000179595979 335502959 /nfs/dbraw/zinc/50/29/59/335502959.db2.gz JQTAIJDIEOCWTA-CQSZACIVSA-N 2 2 263.429 3.325 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C(C)C)CC2)n1C ZINC000578787047 335675467 /nfs/dbraw/zinc/67/54/67/335675467.db2.gz AJAORPCGFUUOIR-CABCVRRESA-N 2 2 263.429 3.423 20 0 CGADLP CC[C@@H](NC[C@@H](CC(C)C)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182328232 335810874 /nfs/dbraw/zinc/81/08/74/335810874.db2.gz MTCSJZVFNRJINR-HZPDHXFCSA-N 2 2 294.487 3.217 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000581326302 336049921 /nfs/dbraw/zinc/04/99/21/336049921.db2.gz QFYVMFVSYRMGQF-BZSNNMDCSA-N 2 2 274.452 3.184 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382134485 336082611 /nfs/dbraw/zinc/08/26/11/336082611.db2.gz MZMYVZFDZLRWED-XJNDJFPOSA-N 2 2 276.468 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382134485 336082613 /nfs/dbraw/zinc/08/26/13/336082613.db2.gz MZMYVZFDZLRWED-XJNDJFPOSA-N 2 2 276.468 3.416 20 0 CGADLP FC1(F)CC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000383207177 336106029 /nfs/dbraw/zinc/10/60/29/336106029.db2.gz BFVLSXVIOFALAA-INIZCTEOSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)CC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000383207177 336106030 /nfs/dbraw/zinc/10/60/30/336106030.db2.gz BFVLSXVIOFALAA-INIZCTEOSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386086880 336165958 /nfs/dbraw/zinc/16/59/58/336165958.db2.gz HNCYKYHFJJPEBK-RISCZKNCSA-N 2 2 286.341 3.326 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000386120159 336166625 /nfs/dbraw/zinc/16/66/25/336166625.db2.gz MYVNCCRZFRJGJV-HZMBPMFUSA-N 2 2 270.779 3.099 20 0 CGADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000386157466 336167178 /nfs/dbraw/zinc/16/71/78/336167178.db2.gz UCCZJNMXVPSLBD-GOEBONIOSA-N 2 2 288.439 3.014 20 0 CGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2cc[nH]c2)CCC1 ZINC000386915183 336182257 /nfs/dbraw/zinc/18/22/57/336182257.db2.gz QOOKICGGBCFDKM-UHFFFAOYSA-N 2 2 283.419 3.159 20 0 CGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2cc[nH]c2)CCC1 ZINC000386915183 336182258 /nfs/dbraw/zinc/18/22/58/336182258.db2.gz QOOKICGGBCFDKM-UHFFFAOYSA-N 2 2 283.419 3.159 20 0 CGADLP [NH3+]C[C@H]1CC[C@H](COc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000581997836 336187636 /nfs/dbraw/zinc/18/76/36/336187636.db2.gz CSDRSGWQFXOHLY-SHTZXODSSA-N 2 2 285.391 3.016 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000365832022 533806913 /nfs/dbraw/zinc/80/69/13/533806913.db2.gz NLBXJKKMUGAUGW-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C ZINC000365832022 533806926 /nfs/dbraw/zinc/80/69/26/533806926.db2.gz NLBXJKKMUGAUGW-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1Cl ZINC000423324599 533835784 /nfs/dbraw/zinc/83/57/84/533835784.db2.gz KPOWDOFRLMRFOL-VIFPVBQESA-N 2 2 256.752 3.011 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1csc(-c2ccccc2)n1 ZINC000423317016 533836557 /nfs/dbraw/zinc/83/65/57/533836557.db2.gz BCSQAIKPDVIQCQ-LBPRGKRZSA-N 2 2 287.432 3.342 20 0 CGADLP COc1cccc2c(N[C@@H]3CCC[N@H+](C)[C@H]3C)cc[nH+]c12 ZINC000436444007 533848203 /nfs/dbraw/zinc/84/82/03/533848203.db2.gz YDSAIMJTKKHHNM-GXTWGEPZSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@@H]3CCC[N@@H+](C)[C@H]3C)cc[nH+]c12 ZINC000436444007 533848213 /nfs/dbraw/zinc/84/82/13/533848213.db2.gz YDSAIMJTKKHHNM-GXTWGEPZSA-N 2 2 285.391 3.138 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423231691 533896489 /nfs/dbraw/zinc/89/64/89/533896489.db2.gz AZZLCGULHPMQPV-YOEHRIQHSA-N 2 2 283.419 3.103 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423241324 533898148 /nfs/dbraw/zinc/89/81/48/533898148.db2.gz LIMSRNOTJJKUDQ-BONVTDFDSA-N 2 2 294.320 3.455 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956111 533901250 /nfs/dbraw/zinc/90/12/50/533901250.db2.gz BUAAMVQLSRUSAI-YVEFUNNKSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956111 533901253 /nfs/dbraw/zinc/90/12/53/533901253.db2.gz BUAAMVQLSRUSAI-YVEFUNNKSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000368105985 533993121 /nfs/dbraw/zinc/99/31/21/533993121.db2.gz ZIDLTGXXXYQXOT-WCQYABFASA-N 2 2 281.359 3.364 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccccc2o1 ZINC000368105985 533993129 /nfs/dbraw/zinc/99/31/29/533993129.db2.gz ZIDLTGXXXYQXOT-WCQYABFASA-N 2 2 281.359 3.364 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2c(C)c1 ZINC000359077084 534057760 /nfs/dbraw/zinc/05/77/60/534057760.db2.gz XQFKVLLXTPGCGS-AWEZNQCLSA-N 2 2 282.391 3.160 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000449331105 534156783 /nfs/dbraw/zinc/15/67/83/534156783.db2.gz XMEUJJWPSZUCRZ-GJYPPUQNSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000449331105 534156788 /nfs/dbraw/zinc/15/67/88/534156788.db2.gz XMEUJJWPSZUCRZ-GJYPPUQNSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449088919 534267339 /nfs/dbraw/zinc/26/73/39/534267339.db2.gz JCJCYCQYLOLFCD-SUMWQHHRSA-N 2 2 286.419 3.294 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764186 519781525 /nfs/dbraw/zinc/78/15/25/519781525.db2.gz HVEBUFQZDANGBA-GFCCVEGCSA-N 2 2 259.353 3.048 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000149831562 520408432 /nfs/dbraw/zinc/40/84/32/520408432.db2.gz AWLQDXIIIZEDQP-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000149831562 520408438 /nfs/dbraw/zinc/40/84/38/520408438.db2.gz AWLQDXIIIZEDQP-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC000358336052 534544545 /nfs/dbraw/zinc/54/45/45/534544545.db2.gz BRNBFGSAGXLSBI-HIFRSBDPSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000358336052 534544552 /nfs/dbraw/zinc/54/45/52/534544552.db2.gz BRNBFGSAGXLSBI-HIFRSBDPSA-N 2 2 295.496 3.470 20 0 CGADLP CCC[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000150288392 521682551 /nfs/dbraw/zinc/68/25/51/521682551.db2.gz LHGOOPUZZLAUSU-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000150288392 521682553 /nfs/dbraw/zinc/68/25/53/521682553.db2.gz LHGOOPUZZLAUSU-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP COC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000151707253 522374379 /nfs/dbraw/zinc/37/43/79/522374379.db2.gz BQKRVFICRRUVTR-WMLDXEAASA-N 2 2 287.407 3.194 20 0 CGADLP [NH3+]CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000423191500 534637302 /nfs/dbraw/zinc/63/73/02/534637302.db2.gz UHLLEJYVAGYZSA-INIZCTEOSA-N 2 2 292.785 3.311 20 0 CGADLP Clc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366867573 534649023 /nfs/dbraw/zinc/64/90/23/534649023.db2.gz CLXJOHPCANTZCL-UHFFFAOYSA-N 2 2 278.827 3.447 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000162251378 534691059 /nfs/dbraw/zinc/69/10/59/534691059.db2.gz HNORHLMLRMGDIS-LBPRGKRZSA-N 2 2 298.365 3.230 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156328198 524101790 /nfs/dbraw/zinc/10/17/90/524101790.db2.gz GCKBPKGFSZUKRN-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156328198 524101794 /nfs/dbraw/zinc/10/17/94/524101794.db2.gz GCKBPKGFSZUKRN-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP C[C@H]([NH2+]CCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000088455075 525330178 /nfs/dbraw/zinc/33/01/78/525330178.db2.gz JLTLQRNSVNMYGB-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP Cc1nocc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000339295268 526695278 /nfs/dbraw/zinc/69/52/78/526695278.db2.gz KONVHHMLOMBYJP-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP Clc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156340053 526988704 /nfs/dbraw/zinc/98/87/04/526988704.db2.gz XHKLJNMYICCIAG-OAHLLOKOSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156340053 526988708 /nfs/dbraw/zinc/98/87/08/526988708.db2.gz XHKLJNMYICCIAG-OAHLLOKOSA-N 2 2 288.778 3.388 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449217672 527480921 /nfs/dbraw/zinc/48/09/21/527480921.db2.gz AVPJYWRRFZOBDA-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H](C)C1 ZINC000364493153 527884156 /nfs/dbraw/zinc/88/41/56/527884156.db2.gz MPWPILOAMZNGBO-ZBFHGGJFSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H](C)C1 ZINC000364493153 527884161 /nfs/dbraw/zinc/88/41/61/527884161.db2.gz MPWPILOAMZNGBO-ZBFHGGJFSA-N 2 2 299.418 3.162 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437766452 528137685 /nfs/dbraw/zinc/13/76/85/528137685.db2.gz SRRCOLGNAFTWHW-MSOLQXFVSA-N 2 2 274.452 3.428 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368103047 528237596 /nfs/dbraw/zinc/23/75/96/528237596.db2.gz RRTOHBBWXLCXJW-CABCVRRESA-N 2 2 269.392 3.398 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368103047 528237608 /nfs/dbraw/zinc/23/76/08/528237608.db2.gz RRTOHBBWXLCXJW-CABCVRRESA-N 2 2 269.392 3.398 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000368099919 528238304 /nfs/dbraw/zinc/23/83/04/528238304.db2.gz GRXSTEIWBOZSGS-OLZOCXBDSA-N 2 2 275.421 3.460 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000368099919 528238312 /nfs/dbraw/zinc/23/83/12/528238312.db2.gz GRXSTEIWBOZSGS-OLZOCXBDSA-N 2 2 275.421 3.460 20 0 CGADLP CCN(CCC[NH+](C)C)c1[nH+]ccc2ccc(F)cc21 ZINC000425256588 528443294 /nfs/dbraw/zinc/44/32/94/528443294.db2.gz OZQFZINUGJORPW-UHFFFAOYSA-N 2 2 275.371 3.152 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000368662255 528457374 /nfs/dbraw/zinc/45/73/74/528457374.db2.gz HNOXGVDIIXIUQB-MRXNPFEDSA-N 2 2 299.418 3.257 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423284135 528475564 /nfs/dbraw/zinc/47/55/64/528475564.db2.gz XWMDYXLTEPNJLW-FZMZJTMJSA-N 2 2 284.831 3.373 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1SC ZINC000423308008 528513102 /nfs/dbraw/zinc/51/31/02/528513102.db2.gz IMXXOKBQQZBZGL-LBPRGKRZSA-N 2 2 252.427 3.059 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000423308967 528515698 /nfs/dbraw/zinc/51/56/98/528515698.db2.gz KKJQQQLUXRVJKP-CQSZACIVSA-N 2 2 264.413 3.126 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423309702 528515837 /nfs/dbraw/zinc/51/58/37/528515837.db2.gz LUGMWWRFAQNUOM-LLVKDONJSA-N 2 2 285.229 3.099 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423305143 528516323 /nfs/dbraw/zinc/51/63/23/528516323.db2.gz BDNBHQYYDWIHIS-GFCCVEGCSA-N 2 2 266.454 3.277 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423285430 528534572 /nfs/dbraw/zinc/53/45/72/528534572.db2.gz ZHPCYMLXJVWWAX-JQWIXIFHSA-N 2 2 290.329 3.219 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423403619 528589739 /nfs/dbraw/zinc/58/97/39/528589739.db2.gz ZEQBLWWIJIGVPZ-HZPDHXFCSA-N 2 2 293.430 3.286 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000365471736 528669089 /nfs/dbraw/zinc/66/90/89/528669089.db2.gz ZAJPJLWVVGGZGP-CQSZACIVSA-N 2 2 295.496 3.258 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000365471736 528669092 /nfs/dbraw/zinc/66/90/92/528669092.db2.gz ZAJPJLWVVGGZGP-CQSZACIVSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000428368443 528719720 /nfs/dbraw/zinc/71/97/20/528719720.db2.gz DGRQHWFRRQTWRB-CYBMUJFWSA-N 2 2 288.395 3.038 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000428368443 528719722 /nfs/dbraw/zinc/71/97/22/528719722.db2.gz DGRQHWFRRQTWRB-CYBMUJFWSA-N 2 2 288.395 3.038 20 0 CGADLP CC(C)n1cncc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000424137239 528886371 /nfs/dbraw/zinc/88/63/71/528886371.db2.gz BUPNSLVVMBMOOK-UHFFFAOYSA-N 2 2 280.460 3.063 20 0 CGADLP CC(C)n1c[nH+]cc1CNCCC[NH+](C(C)C)C(C)C ZINC000424137239 528886372 /nfs/dbraw/zinc/88/63/72/528886372.db2.gz BUPNSLVVMBMOOK-UHFFFAOYSA-N 2 2 280.460 3.063 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423297688 528955218 /nfs/dbraw/zinc/95/52/18/528955218.db2.gz LKBKDFSDSOJZQQ-NWDGAFQWSA-N 2 2 286.366 3.456 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000358305193 529027324 /nfs/dbraw/zinc/02/73/24/529027324.db2.gz YSZHASZQHFRAKR-QGZVFWFLSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423237156 529122741 /nfs/dbraw/zinc/12/27/41/529122741.db2.gz PJRAJWKKFLZMEJ-DOMZBBRYSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000449218229 529170842 /nfs/dbraw/zinc/17/08/42/529170842.db2.gz GLWMOERXHJTPGN-MRXNPFEDSA-N 2 2 271.408 3.435 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000423568560 529202361 /nfs/dbraw/zinc/20/23/61/529202361.db2.gz VORVMCQXWMIVSR-IUODEOHRSA-N 2 2 250.361 3.009 20 0 CGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000104827870 535637965 /nfs/dbraw/zinc/63/79/65/535637965.db2.gz OWQFINVCGCYNDT-QGZVFWFLSA-N 2 2 297.402 3.412 20 0 CGADLP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452012244 535754427 /nfs/dbraw/zinc/75/44/27/535754427.db2.gz IARVQXUMYGBOGB-QZTJIDSGSA-N 2 2 299.418 3.228 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000107804873 536375140 /nfs/dbraw/zinc/37/51/40/536375140.db2.gz WPLQUGVKNPLQBY-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000107804873 536375144 /nfs/dbraw/zinc/37/51/44/536375144.db2.gz WPLQUGVKNPLQBY-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749924264 571729196 /nfs/dbraw/zinc/72/91/96/571729196.db2.gz OWMBQNWMASKINF-KBPBESRZSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000744395351 572749182 /nfs/dbraw/zinc/74/91/82/572749182.db2.gz WBVXUNHMRGUIGF-KURKYZTESA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000744395351 572749185 /nfs/dbraw/zinc/74/91/85/572749185.db2.gz WBVXUNHMRGUIGF-KURKYZTESA-N 2 2 296.499 3.266 20 0 CGADLP CC[N@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045417 573077922 /nfs/dbraw/zinc/07/79/22/573077922.db2.gz UHUMMDMXBHSYKZ-UHFFFAOYSA-N 2 2 298.312 3.042 20 0 CGADLP CC[N@@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750045417 573077925 /nfs/dbraw/zinc/07/79/25/573077925.db2.gz UHUMMDMXBHSYKZ-UHFFFAOYSA-N 2 2 298.312 3.042 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000806136087 617957516 /nfs/dbraw/zinc/95/75/16/617957516.db2.gz ZTPKHXFOUSNUEA-GOEBONIOSA-N 2 2 255.365 3.151 20 0 CGADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000092345957 618179436 /nfs/dbraw/zinc/17/94/36/618179436.db2.gz RFGVNMUOSBEAOD-INIZCTEOSA-N 2 2 283.419 3.117 20 0 CGADLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1cc(C)nc2ccccc12 ZINC000092345957 618179438 /nfs/dbraw/zinc/17/94/38/618179438.db2.gz RFGVNMUOSBEAOD-INIZCTEOSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724921 618264408 /nfs/dbraw/zinc/26/44/08/618264408.db2.gz LGIHMTYFKMRCAP-HIFRSBDPSA-N 2 2 297.402 3.113 20 0 CGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724921 618264420 /nfs/dbraw/zinc/26/44/20/618264420.db2.gz LGIHMTYFKMRCAP-HIFRSBDPSA-N 2 2 297.402 3.113 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000121758833 618562598 /nfs/dbraw/zinc/56/25/98/618562598.db2.gz YSOVYHFGDBBWQU-ILXRZTDVSA-N 2 2 261.413 3.078 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449421 618686795 /nfs/dbraw/zinc/68/67/95/618686795.db2.gz GUPMCMDTTZSSDQ-STQMWFEESA-N 2 2 263.429 3.173 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716512 618836632 /nfs/dbraw/zinc/83/66/32/618836632.db2.gz TURDWMBBHKLMJG-RHSMWYFYSA-N 2 2 290.451 3.049 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716512 618836634 /nfs/dbraw/zinc/83/66/34/618836634.db2.gz TURDWMBBHKLMJG-RHSMWYFYSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000178343322 619023044 /nfs/dbraw/zinc/02/30/44/619023044.db2.gz QCRJBQJBVUVEBG-CQSZACIVSA-N 2 2 297.402 3.169 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCCc3ccccc3CC2)c(C)[nH+]1 ZINC000930648402 619045237 /nfs/dbraw/zinc/04/52/37/619045237.db2.gz UPGXJASRYUKRDJ-UHFFFAOYSA-N 2 2 269.392 3.017 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCCc3ccccc3CC2)c(C)[nH+]1 ZINC000930648402 619045240 /nfs/dbraw/zinc/04/52/40/619045240.db2.gz UPGXJASRYUKRDJ-UHFFFAOYSA-N 2 2 269.392 3.017 20 0 CGADLP C[C@@H]1CCC[C@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110195 619732953 /nfs/dbraw/zinc/73/29/53/619732953.db2.gz COILAKXNXYWRHG-KLHDSHLOSA-N 2 2 273.424 3.347 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895377223 619815843 /nfs/dbraw/zinc/81/58/43/619815843.db2.gz LHTDVOZZHVTWIL-GXTWGEPZSA-N 2 2 281.469 3.004 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895377223 619815846 /nfs/dbraw/zinc/81/58/46/619815846.db2.gz LHTDVOZZHVTWIL-GXTWGEPZSA-N 2 2 281.469 3.004 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895377226 619815933 /nfs/dbraw/zinc/81/59/33/619815933.db2.gz LHTDVOZZHVTWIL-TZMCWYRMSA-N 2 2 281.469 3.004 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895377226 619815935 /nfs/dbraw/zinc/81/59/35/619815935.db2.gz LHTDVOZZHVTWIL-TZMCWYRMSA-N 2 2 281.469 3.004 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccnnc1)[N@H+](C)Cc1ccccc1 ZINC000925200040 620227973 /nfs/dbraw/zinc/22/79/73/620227973.db2.gz JCIYLEZIEPKJOA-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccnnc1)[N@@H+](C)Cc1ccccc1 ZINC000925200040 620227975 /nfs/dbraw/zinc/22/79/75/620227975.db2.gz JCIYLEZIEPKJOA-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000925270588 620330117 /nfs/dbraw/zinc/33/01/17/620330117.db2.gz ABNVGMLWDALYOU-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000925270588 620330121 /nfs/dbraw/zinc/33/01/21/620330121.db2.gz ABNVGMLWDALYOU-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000897969615 620450394 /nfs/dbraw/zinc/45/03/94/620450394.db2.gz LHNAUYPFZBRVGI-ZDUSSCGKSA-N 2 2 298.415 3.050 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032063 620470179 /nfs/dbraw/zinc/47/01/79/620470179.db2.gz URPYONABTIHUSV-WFASDCNBSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032063 620470180 /nfs/dbraw/zinc/47/01/80/620470180.db2.gz URPYONABTIHUSV-WFASDCNBSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659244 620557082 /nfs/dbraw/zinc/55/70/82/620557082.db2.gz DQTSJSHAHPQLRQ-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659244 620557087 /nfs/dbraw/zinc/55/70/87/620557087.db2.gz DQTSJSHAHPQLRQ-LMSBXDPUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccns1 ZINC000924728479 620580127 /nfs/dbraw/zinc/58/01/27/620580127.db2.gz GIGFVDIXZPPNDW-YPMHNXCESA-N 2 2 278.425 3.105 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902445942 621322881 /nfs/dbraw/zinc/32/28/81/621322881.db2.gz RBXOOSFTULALSA-MORSLUCNSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2c(s1)CCCC2 ZINC000902474456 621325460 /nfs/dbraw/zinc/32/54/60/621325460.db2.gz FLQQFPPXAQTUKH-RUZUBIRVSA-N 2 2 276.449 3.170 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000902532527 621365652 /nfs/dbraw/zinc/36/56/52/621365652.db2.gz JNQOPNROQASDSG-UHFFFAOYSA-N 2 2 287.451 3.143 20 0 CGADLP CCNc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000902625961 621388317 /nfs/dbraw/zinc/38/83/17/621388317.db2.gz LINXHNBAWSQDGH-QGZVFWFLSA-N 2 2 287.451 3.225 20 0 CGADLP CCNc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000902625961 621388321 /nfs/dbraw/zinc/38/83/21/621388321.db2.gz LINXHNBAWSQDGH-QGZVFWFLSA-N 2 2 287.451 3.225 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000902785489 621431418 /nfs/dbraw/zinc/43/14/18/621431418.db2.gz FYGQLPGJLRABRZ-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000902785489 621431422 /nfs/dbraw/zinc/43/14/22/621431422.db2.gz FYGQLPGJLRABRZ-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CSC[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902809237 621440676 /nfs/dbraw/zinc/44/06/76/621440676.db2.gz QPYNMSIAGJFYCV-QWHCGFSZSA-N 2 2 275.421 3.274 20 0 CGADLP C[C@H]([NH2+]CC1(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902874152 621477050 /nfs/dbraw/zinc/47/70/50/621477050.db2.gz CSTRPMOEYXLERR-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025735 621542661 /nfs/dbraw/zinc/54/26/61/621542661.db2.gz HYNKGKRNESTMDK-SWLSCSKDSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048935 621555202 /nfs/dbraw/zinc/55/52/02/621555202.db2.gz YXKVKPXRGHFBAR-UKRRQHHQSA-N 2 2 253.349 3.242 20 0 CGADLP CCC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073183 621570066 /nfs/dbraw/zinc/57/00/66/621570066.db2.gz OIPZMYGIKIKALL-ZBFHGGJFSA-N 2 2 287.407 3.074 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(F)ccc1OC ZINC000903370984 621717097 /nfs/dbraw/zinc/71/70/97/621717097.db2.gz MRKBPYFNVIPIRQ-MRXNPFEDSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441262 621749874 /nfs/dbraw/zinc/74/98/74/621749874.db2.gz JZVACRYWPAFYBB-UPJWGTAASA-N 2 2 289.448 3.145 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441262 621749880 /nfs/dbraw/zinc/74/98/80/621749880.db2.gz JZVACRYWPAFYBB-UPJWGTAASA-N 2 2 289.448 3.145 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453891 621761798 /nfs/dbraw/zinc/76/17/98/621761798.db2.gz OLNBOARVRPNKJO-WMZOPIPTSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453891 621761803 /nfs/dbraw/zinc/76/18/03/621761803.db2.gz OLNBOARVRPNKJO-WMZOPIPTSA-N 2 2 283.419 3.274 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000903843844 621820535 /nfs/dbraw/zinc/82/05/35/621820535.db2.gz UWGSJRWSYJFYAY-LNSITVRQSA-N 2 2 291.464 3.112 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000903843844 621820537 /nfs/dbraw/zinc/82/05/37/621820537.db2.gz UWGSJRWSYJFYAY-LNSITVRQSA-N 2 2 291.464 3.112 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903872555 621824844 /nfs/dbraw/zinc/82/48/44/621824844.db2.gz GXKFYXXZDBEWGT-AWEZNQCLSA-N 2 2 270.367 3.224 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903872555 621824845 /nfs/dbraw/zinc/82/48/45/621824845.db2.gz GXKFYXXZDBEWGT-AWEZNQCLSA-N 2 2 270.367 3.224 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000904385618 621917215 /nfs/dbraw/zinc/91/72/15/621917215.db2.gz ADMTWNXDXSWUTH-OLZOCXBDSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000904385618 621917218 /nfs/dbraw/zinc/91/72/18/621917218.db2.gz ADMTWNXDXSWUTH-OLZOCXBDSA-N 2 2 281.469 3.086 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431097 621921234 /nfs/dbraw/zinc/92/12/34/621921234.db2.gz OIRDEKOZHBTRMA-YOEHRIQHSA-N 2 2 276.399 3.147 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431097 621921236 /nfs/dbraw/zinc/92/12/36/621921236.db2.gz OIRDEKOZHBTRMA-YOEHRIQHSA-N 2 2 276.399 3.147 20 0 CGADLP CCC1([NH+](C)C)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906588908 622250431 /nfs/dbraw/zinc/25/04/31/622250431.db2.gz IKGWBZTYMHKRTE-IRXDYDNUSA-N 2 2 290.426 3.488 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000924852593 622721960 /nfs/dbraw/zinc/72/19/60/622721960.db2.gz KFLZTCZSDZYZMD-UONOGXRCSA-N 2 2 287.407 3.332 20 0 CGADLP CN(C)c1[nH+]cc(CSCC[NH+](C)C)c2ccccc21 ZINC000917193166 624251718 /nfs/dbraw/zinc/25/17/18/624251718.db2.gz BNFMPQVWWOLDFA-UHFFFAOYSA-N 2 2 289.448 3.096 20 0 CGADLP Cc1c(Cl)ccc(C[NH2+]CCn2cc[nH+]c2)c1Cl ZINC000921484698 624601859 /nfs/dbraw/zinc/60/18/59/624601859.db2.gz TXURIGNXUVGIAU-UHFFFAOYSA-N 2 2 284.190 3.288 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000922217691 625985001 /nfs/dbraw/zinc/98/50/01/625985001.db2.gz VMPUJMPAZRKKRP-UHFFFAOYSA-N 2 2 283.847 3.111 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000922217691 625985003 /nfs/dbraw/zinc/98/50/03/625985003.db2.gz VMPUJMPAZRKKRP-UHFFFAOYSA-N 2 2 283.847 3.111 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)c2)c[nH+]1 ZINC000922435528 626006370 /nfs/dbraw/zinc/00/63/70/626006370.db2.gz XRTZYCOCWXMPQW-WOSRLPQWSA-N 2 2 287.432 3.460 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923315572 626145075 /nfs/dbraw/zinc/14/50/75/626145075.db2.gz IPGCXCXUEARXOZ-INIZCTEOSA-N 2 2 280.362 3.244 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923315572 626145078 /nfs/dbraw/zinc/14/50/78/626145078.db2.gz IPGCXCXUEARXOZ-INIZCTEOSA-N 2 2 280.362 3.244 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838988647 626292030 /nfs/dbraw/zinc/29/20/30/626292030.db2.gz JNSHLXQZEVFSLH-ZLPCBKJTSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838988647 626292031 /nfs/dbraw/zinc/29/20/31/626292031.db2.gz JNSHLXQZEVFSLH-ZLPCBKJTSA-N 2 2 272.436 3.181 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+](C)C ZINC000764842172 627228978 /nfs/dbraw/zinc/22/89/78/627228978.db2.gz XRIZXUMYFNVYQE-KGLIPLIRSA-N 2 2 274.518 3.473 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000765357613 627246617 /nfs/dbraw/zinc/24/66/17/627246617.db2.gz HKRKOJCWMXJYFT-INIZCTEOSA-N 2 2 287.407 3.023 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000766271823 627310095 /nfs/dbraw/zinc/31/00/95/627310095.db2.gz VMPYVZDWGFBGLV-WMLDXEAASA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000766271823 627310097 /nfs/dbraw/zinc/31/00/97/627310097.db2.gz VMPYVZDWGFBGLV-WMLDXEAASA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000766273089 627310219 /nfs/dbraw/zinc/31/02/19/627310219.db2.gz NCIPQZMCEQPDFB-WMLDXEAASA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000766273089 627310220 /nfs/dbraw/zinc/31/02/20/627310220.db2.gz NCIPQZMCEQPDFB-WMLDXEAASA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000766271917 627310294 /nfs/dbraw/zinc/31/02/94/627310294.db2.gz WHZSJXPAMJYOAJ-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000766271917 627310297 /nfs/dbraw/zinc/31/02/97/627310297.db2.gz WHZSJXPAMJYOAJ-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1 ZINC000766274924 627310827 /nfs/dbraw/zinc/31/08/27/627310827.db2.gz XDPYLQAYUOYLGN-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1 ZINC000766274924 627310829 /nfs/dbraw/zinc/31/08/29/627310829.db2.gz XDPYLQAYUOYLGN-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000766275948 627311664 /nfs/dbraw/zinc/31/16/64/627311664.db2.gz ZMRVDWPVMZRJCH-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000766275948 627311665 /nfs/dbraw/zinc/31/16/65/627311665.db2.gz ZMRVDWPVMZRJCH-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000768200550 627468257 /nfs/dbraw/zinc/46/82/57/627468257.db2.gz OKKOZWDELPETFG-HOCLYGCPSA-N 2 2 286.423 3.352 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471951 627556981 /nfs/dbraw/zinc/55/69/81/627556981.db2.gz ZNAYWDXICONMDG-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471951 627556982 /nfs/dbraw/zinc/55/69/82/627556982.db2.gz ZNAYWDXICONMDG-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471951 627556983 /nfs/dbraw/zinc/55/69/83/627556983.db2.gz ZNAYWDXICONMDG-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C[C@H]1C ZINC000769471951 627556984 /nfs/dbraw/zinc/55/69/84/627556984.db2.gz ZNAYWDXICONMDG-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP FC(F)C1CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000769497398 627559800 /nfs/dbraw/zinc/55/98/00/627559800.db2.gz XPOZUAVROFUNAN-UHFFFAOYSA-N 2 2 291.345 3.065 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000769869544 627585166 /nfs/dbraw/zinc/58/51/66/627585166.db2.gz UOQUVEFBJMCDJP-AWEZNQCLSA-N 2 2 293.455 3.318 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000769874244 627585386 /nfs/dbraw/zinc/58/53/86/627585386.db2.gz JLPJFDKVTAJPRA-FPMFFAJLSA-N 2 2 279.428 3.069 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000776805531 628233802 /nfs/dbraw/zinc/23/38/02/628233802.db2.gz NKFOGKFCWSEVJV-UHFFFAOYSA-N 2 2 299.462 3.429 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000779059698 628385462 /nfs/dbraw/zinc/38/54/62/628385462.db2.gz BXIXJSJTUCGABX-LSDHHAIUSA-N 2 2 299.418 3.174 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780531763 628495778 /nfs/dbraw/zinc/49/57/78/628495778.db2.gz YNCAIOFYLOELLV-BHIYHBOVSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000780531763 628495781 /nfs/dbraw/zinc/49/57/81/628495781.db2.gz YNCAIOFYLOELLV-BHIYHBOVSA-N 2 2 286.463 3.472 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]CCC(C)(C)C)cc2)CC1 ZINC000783583377 628729164 /nfs/dbraw/zinc/72/91/64/628729164.db2.gz STBSBZQCNKFFBQ-UHFFFAOYSA-N 2 2 275.440 3.287 20 0 CGADLP Cc1nc(F)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000785438803 628862031 /nfs/dbraw/zinc/86/20/31/628862031.db2.gz KAGPEVUXYJBENE-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP CC(C[NH+]1CCC(F)(F)CC1)C[NH+]1CCC(F)(F)CC1 ZINC000796541804 629797491 /nfs/dbraw/zinc/79/74/91/629797491.db2.gz OFCNUJJQLRTGSY-UHFFFAOYSA-N 2 2 296.352 3.085 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1[NH+](C)C ZINC000796910054 629858159 /nfs/dbraw/zinc/85/81/59/629858159.db2.gz AAKPDPIZCUYQGF-LZLYRXPVSA-N 2 2 287.451 3.346 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1[NH+](C)C ZINC000796910054 629858162 /nfs/dbraw/zinc/85/81/62/629858162.db2.gz AAKPDPIZCUYQGF-LZLYRXPVSA-N 2 2 287.451 3.346 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592499 629965952 /nfs/dbraw/zinc/96/59/52/629965952.db2.gz ZUYADYKIUBITGJ-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592499 629965956 /nfs/dbraw/zinc/96/59/56/629965956.db2.gz ZUYADYKIUBITGJ-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592499 629965957 /nfs/dbraw/zinc/96/59/57/629965957.db2.gz ZUYADYKIUBITGJ-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592499 629965962 /nfs/dbraw/zinc/96/59/62/629965962.db2.gz ZUYADYKIUBITGJ-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865405602 630107572 /nfs/dbraw/zinc/10/75/72/630107572.db2.gz NWHIUMKVGMSOQS-UHFFFAOYSA-N 2 2 299.821 3.086 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cnc12 ZINC000865416096 630111107 /nfs/dbraw/zinc/11/11/07/630111107.db2.gz TVVSLIRYVRKYSJ-IAGOWNOFSA-N 2 2 299.393 3.090 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cnc12 ZINC000865416096 630111112 /nfs/dbraw/zinc/11/11/12/630111112.db2.gz TVVSLIRYVRKYSJ-IAGOWNOFSA-N 2 2 299.393 3.090 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]4C[C@]43C)cc2)CC1 ZINC000800487740 630286339 /nfs/dbraw/zinc/28/63/39/630286339.db2.gz KEYFCABJLWQMDH-KFKAGJAMSA-N 2 2 299.462 3.429 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000800979833 630317030 /nfs/dbraw/zinc/31/70/30/630317030.db2.gz AOXCLZFQXYJROE-MOPGFXCFSA-N 2 2 299.462 3.429 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000810253778 630860087 /nfs/dbraw/zinc/86/00/87/630860087.db2.gz DDLFBTPNIXNTIF-LXTVHRRPSA-N 2 2 273.424 3.216 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000811480339 631072035 /nfs/dbraw/zinc/07/20/35/631072035.db2.gz UMJPEMCWVXMRJL-OAHLLOKOSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000811480339 631072041 /nfs/dbraw/zinc/07/20/41/631072041.db2.gz UMJPEMCWVXMRJL-OAHLLOKOSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817897126 632231717 /nfs/dbraw/zinc/23/17/17/632231717.db2.gz FYFSPANLRMTPJA-DLBZAZTESA-N 2 2 270.351 3.369 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H](C)C[NH3+])ccc1SC(F)F ZINC000817970452 632264607 /nfs/dbraw/zinc/26/46/07/632264607.db2.gz VVHJWYDFNRSKNQ-IUCAKERBSA-N 2 2 290.379 3.008 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823596544 633125489 /nfs/dbraw/zinc/12/54/89/633125489.db2.gz QEBDIZRIIKWMIT-GFCCVEGCSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823596544 633125492 /nfs/dbraw/zinc/12/54/92/633125492.db2.gz QEBDIZRIIKWMIT-GFCCVEGCSA-N 2 2 299.821 3.228 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CCCCCCCC2)s1 ZINC000824983589 633314374 /nfs/dbraw/zinc/31/43/74/633314374.db2.gz ZCOALNFVWWDRQN-UHFFFAOYSA-N 2 2 281.469 3.361 20 0 CGADLP C[C@@]1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1(Cl)Cl ZINC000828006047 633548341 /nfs/dbraw/zinc/54/83/41/633548341.db2.gz GLGRKBGOCHFAEP-LBPRGKRZSA-N 2 2 288.222 3.104 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000872029975 633949855 /nfs/dbraw/zinc/94/98/55/633949855.db2.gz WTXNJPATPVKMCI-IRXDYDNUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000872088487 634014456 /nfs/dbraw/zinc/01/44/56/634014456.db2.gz PBYNGYTXQZRQDY-UAGQMJEPSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1CCN(c2cc[nH+]cc2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000872481040 634153999 /nfs/dbraw/zinc/15/39/99/634153999.db2.gz ALUKZLPGYCBEPG-DYVFJYSZSA-N 2 2 282.391 3.243 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000834526777 634176541 /nfs/dbraw/zinc/17/65/41/634176541.db2.gz PABRVLZWGWJDGH-JKSUJKDBSA-N 2 2 286.423 3.434 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc(C)c1OC(F)F ZINC000841085367 635119582 /nfs/dbraw/zinc/11/95/82/635119582.db2.gz AOCUNOIHJPOEGE-ZDUSSCGKSA-N 2 2 298.377 3.135 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252538 635434026 /nfs/dbraw/zinc/43/40/26/635434026.db2.gz ODATVNLWSPHDBX-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252538 635434035 /nfs/dbraw/zinc/43/40/35/635434035.db2.gz ODATVNLWSPHDBX-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000843354766 635652572 /nfs/dbraw/zinc/65/25/72/635652572.db2.gz MTWGYZJFJYFJGE-LLVKDONJSA-N 2 2 290.238 3.194 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000843354766 635652573 /nfs/dbraw/zinc/65/25/73/635652573.db2.gz MTWGYZJFJYFJGE-LLVKDONJSA-N 2 2 290.238 3.194 20 0 CGADLP F[C@@]1(c2ccccc2)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000879479817 635797091 /nfs/dbraw/zinc/79/70/91/635797091.db2.gz PMJFCZHMQOLMBD-KRWDZBQOSA-N 2 2 287.382 3.234 20 0 CGADLP F[C@@]1(c2ccccc2)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000879479817 635797096 /nfs/dbraw/zinc/79/70/96/635797096.db2.gz PMJFCZHMQOLMBD-KRWDZBQOSA-N 2 2 287.382 3.234 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)nc1 ZINC000880099445 635914115 /nfs/dbraw/zinc/91/41/15/635914115.db2.gz OXRSEUPVFHFHSX-LLVKDONJSA-N 2 2 298.312 3.038 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470779 636007458 /nfs/dbraw/zinc/00/74/58/636007458.db2.gz MUBGRIFQYNFVKW-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP Cc1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000880568553 636022614 /nfs/dbraw/zinc/02/26/14/636022614.db2.gz CAFRECNFJDYRAN-MRXNPFEDSA-N 2 2 298.415 3.179 20 0 CGADLP c1cn(C[C@H]([NH2+]CCC2CCC2)c2ccccc2)c[nH+]1 ZINC000880569945 636022828 /nfs/dbraw/zinc/02/28/28/636022828.db2.gz MLUPDJIKSCPODH-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000880570637 636023961 /nfs/dbraw/zinc/02/39/61/636023961.db2.gz XJSMTDDTIXILOB-ROUUACIJSA-N 2 2 299.418 3.029 20 0 CGADLP CC(C)OCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570964 636023986 /nfs/dbraw/zinc/02/39/86/636023986.db2.gz LKSNOGPMZVVJEC-KRWDZBQOSA-N 2 2 287.407 3.029 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882989281 636493516 /nfs/dbraw/zinc/49/35/16/636493516.db2.gz JLPGCURYHLETOM-MUJYYYPQSA-N 2 2 294.483 3.044 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]CC(C)(C)C)cc2)CC1 ZINC000107788804 636635602 /nfs/dbraw/zinc/63/56/02/636635602.db2.gz DETJLBKIEQMSEI-UHFFFAOYSA-N 2 2 275.440 3.287 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CCCC[C@H]34)CC2)[nH+]c1 ZINC000883322322 636673388 /nfs/dbraw/zinc/67/33/88/636673388.db2.gz AYYCINCFTKBUTR-BHYGNILZSA-N 2 2 285.435 3.219 20 0 CGADLP CCc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1 ZINC000848991938 636707383 /nfs/dbraw/zinc/70/73/83/636707383.db2.gz QVYGQLJGWGQHKN-UHFFFAOYSA-N 2 2 297.406 3.082 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2F)[C@@H](C)C1 ZINC000883376767 636718405 /nfs/dbraw/zinc/71/84/05/636718405.db2.gz SOQQIHQYCPUECC-HNONPPJISA-N 2 2 290.426 3.332 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2F)[C@@H](C)C1 ZINC000883376767 636718413 /nfs/dbraw/zinc/71/84/13/636718413.db2.gz SOQQIHQYCPUECC-HNONPPJISA-N 2 2 290.426 3.332 20 0 CGADLP COC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388427 636730280 /nfs/dbraw/zinc/73/02/80/636730280.db2.gz VEJHYSKTWJBZFN-ABHNRTSZSA-N 2 2 299.418 3.172 20 0 CGADLP c1c(C[N@@H+]2CC[NH2+]CCC23CCC3)onc1-c1ccccc1 ZINC000883458208 636760661 /nfs/dbraw/zinc/76/06/61/636760661.db2.gz ZZXSCQIGPMJCBZ-UHFFFAOYSA-N 2 2 297.402 3.060 20 0 CGADLP c1c(C[N@H+]2CC[NH2+]CCC23CCC3)onc1-c1ccccc1 ZINC000883458208 636760669 /nfs/dbraw/zinc/76/06/69/636760669.db2.gz ZZXSCQIGPMJCBZ-UHFFFAOYSA-N 2 2 297.402 3.060 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]CC[NH+]1CCCCCC1 ZINC000221884802 637764121 /nfs/dbraw/zinc/76/41/21/637764121.db2.gz GUHYAUAZWDGERL-OAHLLOKOSA-N 2 2 278.415 3.222 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924551802 638360733 /nfs/dbraw/zinc/36/07/33/638360733.db2.gz JYADDBMBYKSSKU-VIFPVBQESA-N 2 2 289.326 3.314 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659701 638385085 /nfs/dbraw/zinc/38/50/85/638385085.db2.gz FOQDLMPCCCMLEE-XYVMCAHJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659701 638385091 /nfs/dbraw/zinc/38/50/91/638385091.db2.gz FOQDLMPCCCMLEE-XYVMCAHJSA-N 2 2 294.483 3.044 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000924930793 638425174 /nfs/dbraw/zinc/42/51/74/638425174.db2.gz OCNGJZAKFKYRTE-ZDUSSCGKSA-N 2 2 281.444 3.454 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC[N@@H+]1C ZINC000925140057 638459005 /nfs/dbraw/zinc/45/90/05/638459005.db2.gz HUIQQUSPNNACKY-TYNCELHUSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC[N@H+]1C ZINC000925140057 638459011 /nfs/dbraw/zinc/45/90/11/638459011.db2.gz HUIQQUSPNNACKY-TYNCELHUSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169302 638467189 /nfs/dbraw/zinc/46/71/89/638467189.db2.gz GWIKSZDNCPDUDZ-LSDHHAIUSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169302 638467195 /nfs/dbraw/zinc/46/71/95/638467195.db2.gz GWIKSZDNCPDUDZ-LSDHHAIUSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ccnn1C1CCC1 ZINC000925172524 638468321 /nfs/dbraw/zinc/46/83/21/638468321.db2.gz SXJSYTXKFYXRMP-ZIAGYGMSSA-N 2 2 299.422 3.033 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(O)cc(F)c1 ZINC000925306045 638493464 /nfs/dbraw/zinc/49/34/64/638493464.db2.gz FLFAIOISKJGNML-GFCCVEGCSA-N 2 2 294.414 3.445 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)on1 ZINC000925498247 638511649 /nfs/dbraw/zinc/51/16/49/638511649.db2.gz DHGFTXWOVBYEEY-HZPDHXFCSA-N 2 2 291.439 3.056 20 0 CGADLP C[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cc2ccccc2o1 ZINC000925645521 638555331 /nfs/dbraw/zinc/55/53/31/638555331.db2.gz QHLKFHPJTOMOLX-QQVKTXHJSA-N 2 2 282.387 3.080 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccccc1 ZINC000925699740 638572610 /nfs/dbraw/zinc/57/26/10/638572610.db2.gz QFIQHTNRJWSXKV-MJXNMMHHSA-N 2 2 295.430 3.324 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000926295970 638760501 /nfs/dbraw/zinc/76/05/01/638760501.db2.gz SDRPJBILJGSMFX-GOOCMWNKSA-N 2 2 282.497 3.125 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000926295970 638760503 /nfs/dbraw/zinc/76/05/03/638760503.db2.gz SDRPJBILJGSMFX-GOOCMWNKSA-N 2 2 282.497 3.125 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926425810 638770290 /nfs/dbraw/zinc/77/02/90/638770290.db2.gz LYUMGUWPTNHFKP-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926425810 638770291 /nfs/dbraw/zinc/77/02/91/638770291.db2.gz LYUMGUWPTNHFKP-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(Cl)Cl ZINC000926520994 638780885 /nfs/dbraw/zinc/78/08/85/638780885.db2.gz SMCIWLARPSHBAY-RWMBFGLXSA-N 2 2 291.266 3.177 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(Cl)Cl ZINC000926520994 638780887 /nfs/dbraw/zinc/78/08/87/638780887.db2.gz SMCIWLARPSHBAY-RWMBFGLXSA-N 2 2 291.266 3.177 20 0 CGADLP Cc1cc(C)nc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000929721602 638944537 /nfs/dbraw/zinc/94/45/37/638944537.db2.gz WTGODCCMSDHJOK-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000929721602 638944539 /nfs/dbraw/zinc/94/45/39/638944539.db2.gz WTGODCCMSDHJOK-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000929721602 638944540 /nfs/dbraw/zinc/94/45/40/638944540.db2.gz WTGODCCMSDHJOK-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1cc(C)nc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000929721602 638944543 /nfs/dbraw/zinc/94/45/43/638944543.db2.gz WTGODCCMSDHJOK-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP CCCCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860028779 639270935 /nfs/dbraw/zinc/27/09/35/639270935.db2.gz UVNJSZZNBGSEMF-UHFFFAOYSA-N 2 2 282.472 3.144 20 0 CGADLP Fc1cccc(C[N@H+](CCn2cc[nH+]c2)C2CCC2)c1 ZINC000932403116 639327140 /nfs/dbraw/zinc/32/71/40/639327140.db2.gz MDAASLANKDXWEV-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP Fc1cccc(C[N@@H+](CCn2cc[nH+]c2)C2CCC2)c1 ZINC000932403116 639327148 /nfs/dbraw/zinc/32/71/48/639327148.db2.gz MDAASLANKDXWEV-UHFFFAOYSA-N 2 2 273.355 3.077 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000092741334 640744675 /nfs/dbraw/zinc/74/46/75/640744675.db2.gz DTEIJOFQCIBXBB-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 ZINC000252935596 640866292 /nfs/dbraw/zinc/86/62/92/640866292.db2.gz XEXHNEXZYZDARW-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP CCc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc(C)[nH+]1 ZINC001155348237 805575559 /nfs/dbraw/zinc/57/55/59/805575559.db2.gz LTPTZEMOROCQHJ-LBPRGKRZSA-N 2 2 280.375 3.311 20 0 CGADLP CCC(CC)c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250422877 805605683 /nfs/dbraw/zinc/60/56/83/805605683.db2.gz ZXZLNEIIVGUKKE-UHFFFAOYSA-N 2 2 286.423 3.218 20 0 CGADLP Cc1c[nH+]c(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc1N ZINC001155996056 805639059 /nfs/dbraw/zinc/63/90/59/805639059.db2.gz PRQZAVAAZYVHQT-UHFFFAOYSA-N 2 2 286.766 3.028 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001156385897 805681439 /nfs/dbraw/zinc/68/14/39/805681439.db2.gz LUDVLSGOZSCLAR-CYBMUJFWSA-N 2 2 279.453 3.337 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156385897 805681444 /nfs/dbraw/zinc/68/14/44/805681444.db2.gz LUDVLSGOZSCLAR-CYBMUJFWSA-N 2 2 279.453 3.337 20 0 CGADLP COc1ccc(C)[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156928882 805756058 /nfs/dbraw/zinc/75/60/58/805756058.db2.gz PWZGEACSWXZDSY-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP COc1ccc(C)[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001156928882 805756065 /nfs/dbraw/zinc/75/60/65/805756065.db2.gz PWZGEACSWXZDSY-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158622151 805979693 /nfs/dbraw/zinc/97/96/93/805979693.db2.gz BCEGWUCXRYRDLN-CQSZACIVSA-N 2 2 295.377 3.008 20 0 CGADLP Cc1ccc(O)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001159171144 806055747 /nfs/dbraw/zinc/05/57/47/806055747.db2.gz VNAZQRXAOKAYBJ-CQSZACIVSA-N 2 2 269.348 3.264 20 0 CGADLP Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c(C)[nH+]1 ZINC001159924021 806200569 /nfs/dbraw/zinc/20/05/69/806200569.db2.gz UJBMZNXHPOQTRI-MRXNPFEDSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1nc(NC[C@H]2CCCC[NH2+]2)cc(C2CCCCC2)[nH+]1 ZINC001160151455 806228282 /nfs/dbraw/zinc/22/82/82/806228282.db2.gz UAUICYZSENDGKE-OAHLLOKOSA-N 2 2 288.439 3.387 20 0 CGADLP COc1cc(C)c[nH+]c1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160666152 806294052 /nfs/dbraw/zinc/29/40/52/806294052.db2.gz VBCSHBAPFKGIAX-HNNXBMFYSA-N 2 2 299.418 3.000 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001254502516 806423208 /nfs/dbraw/zinc/42/32/08/806423208.db2.gz FDCHLSVYYNJKKC-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001254502516 806423212 /nfs/dbraw/zinc/42/32/12/806423212.db2.gz FDCHLSVYYNJKKC-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001254504847 806425603 /nfs/dbraw/zinc/42/56/03/806425603.db2.gz XTHFDBRIJPDYAZ-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001254504847 806425605 /nfs/dbraw/zinc/42/56/05/806425605.db2.gz XTHFDBRIJPDYAZ-NSHDSACASA-N 2 2 288.769 3.192 20 0 CGADLP C([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCCCC1 ZINC001254841862 806495310 /nfs/dbraw/zinc/49/53/10/806495310.db2.gz BIVPGVMVFNNRKX-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254849016 806498431 /nfs/dbraw/zinc/49/84/31/806498431.db2.gz QOUJDIUOXQBHMR-PBHICJAKSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851852 806498695 /nfs/dbraw/zinc/49/86/95/806498695.db2.gz CGDTXNGYRLZZSZ-RHSMWYFYSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851852 806498700 /nfs/dbraw/zinc/49/87/00/806498700.db2.gz CGDTXNGYRLZZSZ-RHSMWYFYSA-N 2 2 270.420 3.090 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254853525 806500154 /nfs/dbraw/zinc/50/01/54/806500154.db2.gz XKXBWGCZPBAOOE-ROUUACIJSA-N 2 2 284.447 3.180 20 0 CGADLP FCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255123161 806548137 /nfs/dbraw/zinc/54/81/37/806548137.db2.gz ZGROMPHTMXJWDT-BJWYYQGGSA-N 2 2 288.410 3.274 20 0 CGADLP FCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255123161 806548141 /nfs/dbraw/zinc/54/81/41/806548141.db2.gz ZGROMPHTMXJWDT-BJWYYQGGSA-N 2 2 288.410 3.274 20 0 CGADLP FCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255123162 806548286 /nfs/dbraw/zinc/54/82/86/806548286.db2.gz ZGROMPHTMXJWDT-OSYLJGHBSA-N 2 2 288.410 3.274 20 0 CGADLP FCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255123162 806548291 /nfs/dbraw/zinc/54/82/91/806548291.db2.gz ZGROMPHTMXJWDT-OSYLJGHBSA-N 2 2 288.410 3.274 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C1 ZINC001162397890 806576484 /nfs/dbraw/zinc/57/64/84/806576484.db2.gz ZXKOASBCJSHICL-RYUDHWBXSA-N 2 2 299.340 3.357 20 0 CGADLP CCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001255326047 806613537 /nfs/dbraw/zinc/61/35/37/806613537.db2.gz NXHKALWXFAQCCF-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001255326047 806613542 /nfs/dbraw/zinc/61/35/42/806613542.db2.gz NXHKALWXFAQCCF-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001255326047 806613547 /nfs/dbraw/zinc/61/35/47/806613547.db2.gz NXHKALWXFAQCCF-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001255326047 806613552 /nfs/dbraw/zinc/61/35/52/806613552.db2.gz NXHKALWXFAQCCF-NXHRZFHOSA-N 2 2 287.451 3.024 20 0 CGADLP CC(C)Oc1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001162807710 806668373 /nfs/dbraw/zinc/66/83/73/806668373.db2.gz PMKPGCSNMQESJV-UHFFFAOYSA-N 2 2 297.402 3.127 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255551507 806672274 /nfs/dbraw/zinc/67/22/74/806672274.db2.gz MKSAXHSFGXLPSG-QGZVFWFLSA-N 2 2 294.483 3.283 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255551507 806672276 /nfs/dbraw/zinc/67/22/76/806672276.db2.gz MKSAXHSFGXLPSG-QGZVFWFLSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000037102250 798858498 /nfs/dbraw/zinc/85/84/98/798858498.db2.gz VNIJKVQCJBDNRA-OAHLLOKOSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCC1 ZINC000037156333 798861022 /nfs/dbraw/zinc/86/10/22/798861022.db2.gz RUPLCRZAJXEVJK-HNNXBMFYSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[N@H+]([C@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC001255663580 806698215 /nfs/dbraw/zinc/69/82/15/806698215.db2.gz JJHQHCQYPMJKRC-LLVKDONJSA-N 2 2 266.351 3.132 20 0 CGADLP CC(C)[N@@H+]([C@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC001255663580 806698218 /nfs/dbraw/zinc/69/82/18/806698218.db2.gz JJHQHCQYPMJKRC-LLVKDONJSA-N 2 2 266.351 3.132 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000316853291 799243534 /nfs/dbraw/zinc/24/35/34/799243534.db2.gz SESPBNZPVFLPIC-CVEARBPZSA-N 2 2 298.434 3.360 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001255750410 806733710 /nfs/dbraw/zinc/73/37/10/806733710.db2.gz OWGUORNOOJNELD-KGLIPLIRSA-N 2 2 266.454 3.015 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825892 799388959 /nfs/dbraw/zinc/38/89/59/799388959.db2.gz WWCZYUPKOJAGNU-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825892 799388967 /nfs/dbraw/zinc/38/89/67/799388967.db2.gz WWCZYUPKOJAGNU-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594476 799472295 /nfs/dbraw/zinc/47/22/95/799472295.db2.gz UVBOAXYUCKNWDD-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594476 799472297 /nfs/dbraw/zinc/47/22/97/799472297.db2.gz UVBOAXYUCKNWDD-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1ccc2c(cc[nH+]c2N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163386103 806755953 /nfs/dbraw/zinc/75/59/53/806755953.db2.gz MMONFOBUHGWFCS-INIZCTEOSA-N 2 2 267.376 3.049 20 0 CGADLP Cc1ccc(C[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001255797927 806756665 /nfs/dbraw/zinc/75/66/65/806756665.db2.gz WEWSYTXIMHTUIE-INIZCTEOSA-N 2 2 283.419 3.460 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001255878061 806779622 /nfs/dbraw/zinc/77/96/22/806779622.db2.gz LNMIBKKJDUFCLI-AWEZNQCLSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCCCC1 ZINC000694329765 799821617 /nfs/dbraw/zinc/82/16/17/799821617.db2.gz LKTSUUQUYSTPFE-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP F[C@H]1C[N@@H+](C2CCCCCC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255894473 806787112 /nfs/dbraw/zinc/78/71/12/806787112.db2.gz VCTOHTOTHQKFMX-HOTGVXAUSA-N 2 2 268.420 3.217 20 0 CGADLP F[C@H]1C[N@H+](C2CCCCCC2)CC[C@@H]1[NH+]1CCCC1 ZINC001255894473 806787115 /nfs/dbraw/zinc/78/71/15/806787115.db2.gz VCTOHTOTHQKFMX-HOTGVXAUSA-N 2 2 268.420 3.217 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000705967021 799956525 /nfs/dbraw/zinc/95/65/25/799956525.db2.gz KXSFPLPKEPZTBR-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000705967021 799956533 /nfs/dbraw/zinc/95/65/33/799956533.db2.gz KXSFPLPKEPZTBR-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708798462 799994124 /nfs/dbraw/zinc/99/41/24/799994124.db2.gz CCINKYQAEHYNBC-KKUMJFAQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708798462 799994127 /nfs/dbraw/zinc/99/41/27/799994127.db2.gz CCINKYQAEHYNBC-KKUMJFAQSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000708836269 799996605 /nfs/dbraw/zinc/99/66/05/799996605.db2.gz IIWZRWHRXBSIPO-VHSXEESVSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C[NH3+] ZINC000708836269 799996608 /nfs/dbraw/zinc/99/66/08/799996608.db2.gz IIWZRWHRXBSIPO-VHSXEESVSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000708861628 799998166 /nfs/dbraw/zinc/99/81/66/799998166.db2.gz INVSDEBPNUJZPL-MELADBBJSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000708861628 799998170 /nfs/dbraw/zinc/99/81/70/799998170.db2.gz INVSDEBPNUJZPL-MELADBBJSA-N 2 2 252.446 3.274 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](c1cccnc1F)C1CC1 ZINC001255953905 806796332 /nfs/dbraw/zinc/79/63/32/806796332.db2.gz WOERUEVKZWZDQS-BBRMVZONSA-N 2 2 293.430 3.382 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC001255957613 806797876 /nfs/dbraw/zinc/79/78/76/806797876.db2.gz STTATLYCJAQFKY-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC001255957613 806797881 /nfs/dbraw/zinc/79/78/81/806797881.db2.gz STTATLYCJAQFKY-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000715560770 800138801 /nfs/dbraw/zinc/13/88/01/800138801.db2.gz DWSCMZNIBHDRRD-RYUDHWBXSA-N 2 2 286.341 3.066 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccns1 ZINC000715990997 800156837 /nfs/dbraw/zinc/15/68/37/800156837.db2.gz NILYQBQNFMZOCA-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCC4(CC4)CC3)C2)cc1 ZINC000716276907 800167975 /nfs/dbraw/zinc/16/79/75/800167975.db2.gz JXBPDLHHDMUODK-UHFFFAOYSA-N 2 2 284.447 3.431 20 0 CGADLP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC001256069157 806808973 /nfs/dbraw/zinc/80/89/73/806808973.db2.gz SKRKBNQWQDYVQC-UHFFFAOYSA-N 2 2 294.389 3.416 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256069659 806811505 /nfs/dbraw/zinc/81/15/05/806811505.db2.gz LFRIWFXSKFYFGL-QGZVFWFLSA-N 2 2 286.419 3.035 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256081251 806816073 /nfs/dbraw/zinc/81/60/73/806816073.db2.gz VQIIAYPHFPBIRZ-CQSZACIVSA-N 2 2 270.420 3.060 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256081251 806816081 /nfs/dbraw/zinc/81/60/81/806816081.db2.gz VQIIAYPHFPBIRZ-CQSZACIVSA-N 2 2 270.420 3.060 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000721594067 800295379 /nfs/dbraw/zinc/29/53/79/800295379.db2.gz NLGIWMWITNKDTR-ZNMIVQPWSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000721594067 800295380 /nfs/dbraw/zinc/29/53/80/800295380.db2.gz NLGIWMWITNKDTR-ZNMIVQPWSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000721628429 800298510 /nfs/dbraw/zinc/29/85/10/800298510.db2.gz ASOYPKZLAYNCSC-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722397615 800321594 /nfs/dbraw/zinc/32/15/94/800321594.db2.gz XIPZLZGTHCTICO-QWHCGFSZSA-N 2 2 281.469 3.121 20 0 CGADLP CCC[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)C1CCC1 ZINC000722396531 800322529 /nfs/dbraw/zinc/32/25/29/800322529.db2.gz QUKJNIYZMHLHCS-AWEZNQCLSA-N 2 2 281.469 3.263 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCCC3(CC3)C2)n1 ZINC000723604245 800329499 /nfs/dbraw/zinc/32/94/99/800329499.db2.gz UZLDJRUGZHZNHF-GFCCVEGCSA-N 2 2 279.453 3.017 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001256214051 806852232 /nfs/dbraw/zinc/85/22/32/806852232.db2.gz FAJOEPRWWLMQSM-MRXNPFEDSA-N 2 2 280.362 3.196 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)CC1 ZINC001256214051 806852239 /nfs/dbraw/zinc/85/22/39/806852239.db2.gz FAJOEPRWWLMQSM-MRXNPFEDSA-N 2 2 280.362 3.196 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536304 806910970 /nfs/dbraw/zinc/91/09/70/806910970.db2.gz CSGNZZYFLQSMTC-HYVNUMGLSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536304 806910975 /nfs/dbraw/zinc/91/09/75/806910975.db2.gz CSGNZZYFLQSMTC-HYVNUMGLSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536304 806910979 /nfs/dbraw/zinc/91/09/79/806910979.db2.gz CSGNZZYFLQSMTC-HYVNUMGLSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536304 806910980 /nfs/dbraw/zinc/91/09/80/806910980.db2.gz CSGNZZYFLQSMTC-HYVNUMGLSA-N 2 2 276.399 3.083 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001256570054 806918703 /nfs/dbraw/zinc/91/87/03/806918703.db2.gz WKSUFNLAQIVZSK-UHFFFAOYSA-N 2 2 282.447 3.463 20 0 CGADLP CC(C)c1ccc(N2CCC[C@](C)(C[NH3+])CC2)[nH+]c1 ZINC001164246985 806922874 /nfs/dbraw/zinc/92/28/74/806922874.db2.gz FTOSIDLEQHGHOR-INIZCTEOSA-N 2 2 261.413 3.160 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC001116288103 802323704 /nfs/dbraw/zinc/32/37/04/802323704.db2.gz CHWAFWNZQMWVIH-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC001116288103 802323711 /nfs/dbraw/zinc/32/37/11/802323711.db2.gz CHWAFWNZQMWVIH-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]c2ccccc12 ZINC001118336648 802550545 /nfs/dbraw/zinc/55/05/45/802550545.db2.gz PTACBKYGYODMFY-OKILXGFUSA-N 2 2 269.392 3.295 20 0 CGADLP CC[C@H](C)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201520592 811882361 /nfs/dbraw/zinc/88/23/61/811882361.db2.gz FYTGANZWRIGFLP-AWEZNQCLSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H](C)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201520592 811882363 /nfs/dbraw/zinc/88/23/63/811882363.db2.gz FYTGANZWRIGFLP-AWEZNQCLSA-N 2 2 252.446 3.371 20 0 CGADLP Nc1ccc(Nc2ccccc2C[NH+]2CCCC2)c[nH+]1 ZINC001201287071 811809603 /nfs/dbraw/zinc/80/96/03/811809603.db2.gz RNOXAYITUWDAKI-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP Oc1ccc(Cl)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245050702 803623230 /nfs/dbraw/zinc/62/32/30/803623230.db2.gz KYMDNNPLDGRISZ-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP Cc1csc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001137153013 803689796 /nfs/dbraw/zinc/68/97/96/803689796.db2.gz LRNKBWXTSVAKJL-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC001137219350 803699785 /nfs/dbraw/zinc/69/97/85/803699785.db2.gz FXNNPTLCDOAGIN-UHFFFAOYSA-N 2 2 291.826 3.272 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc2cccc(Cl)c2n1 ZINC001137219350 803699788 /nfs/dbraw/zinc/69/97/88/803699788.db2.gz FXNNPTLCDOAGIN-UHFFFAOYSA-N 2 2 291.826 3.272 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)c[nH+]c1N ZINC001245540754 803799446 /nfs/dbraw/zinc/79/94/46/803799446.db2.gz ZWXWZFMJPBOZCZ-HNNXBMFYSA-N 2 2 271.339 3.203 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)c[nH+]c1N ZINC001245540757 803800159 /nfs/dbraw/zinc/80/01/59/803800159.db2.gz ZWXWZFMJPBOZCZ-OAHLLOKOSA-N 2 2 271.339 3.203 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246064119 804106890 /nfs/dbraw/zinc/10/68/90/804106890.db2.gz FYIIWECJFOTMTE-MRXNPFEDSA-N 2 2 254.377 3.072 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246099235 804131795 /nfs/dbraw/zinc/13/17/95/804131795.db2.gz RNCHDYWVTKRJSK-CABCVRRESA-N 2 2 282.378 3.365 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246100381 804133257 /nfs/dbraw/zinc/13/32/57/804133257.db2.gz SVDCHTLYGCAAHY-FOIPXRHGSA-N 2 2 290.426 3.078 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246129938 804156489 /nfs/dbraw/zinc/15/64/89/804156489.db2.gz UVTYVPPTCSKAIA-JKSUJKDBSA-N 2 2 282.472 3.236 20 0 CGADLP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246142718 804164759 /nfs/dbraw/zinc/16/47/59/804164759.db2.gz ONTUJBBVHVICMU-JQHSSLGASA-N 2 2 290.451 3.130 20 0 CGADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC001246141441 804165025 /nfs/dbraw/zinc/16/50/25/804165025.db2.gz KZIUDLFUVOBSAI-SJORKVTESA-N 2 2 258.409 3.402 20 0 CGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246152140 804170670 /nfs/dbraw/zinc/17/06/70/804170670.db2.gz WTBNTXXKZSTDJZ-WBIUFABUSA-N 2 2 299.245 3.266 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1F ZINC001246224827 804218795 /nfs/dbraw/zinc/21/87/95/804218795.db2.gz JGVWGBNOSXQUII-KGLIPLIRSA-N 2 2 282.378 3.139 20 0 CGADLP C[N@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139640331 804238758 /nfs/dbraw/zinc/23/87/58/804238758.db2.gz RYVVRUBNOGMVNH-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139640331 804238765 /nfs/dbraw/zinc/23/87/65/804238765.db2.gz RYVVRUBNOGMVNH-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246275538 804251945 /nfs/dbraw/zinc/25/19/45/804251945.db2.gz WYZWFMXYDWOFST-NSHDSACASA-N 2 2 272.845 3.020 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246294543 804265185 /nfs/dbraw/zinc/26/51/85/804265185.db2.gz XFFJOMXPFNTZSE-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC001246310067 804274164 /nfs/dbraw/zinc/27/41/64/804274164.db2.gz MDSOROZCHXGOMP-CQSZACIVSA-N 2 2 266.816 3.307 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(OCC2CCC2)c1 ZINC001246317616 804277605 /nfs/dbraw/zinc/27/76/05/804277605.db2.gz WNDLDNUSCFEAOZ-QGZVFWFLSA-N 2 2 288.435 3.097 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccnc(F)c2)C2CCCC2)CC1 ZINC001139835404 804295389 /nfs/dbraw/zinc/29/53/89/804295389.db2.gz WXCWHCBCRDVLDQ-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccnc(F)c2)C2CCCC2)CC1 ZINC001139835404 804295393 /nfs/dbraw/zinc/29/53/93/804295393.db2.gz WXCWHCBCRDVLDQ-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(F)c1F ZINC001246349319 804297727 /nfs/dbraw/zinc/29/77/27/804297727.db2.gz KHWRKTVIPHBTSP-SRVKXCTJSA-N 2 2 268.351 3.064 20 0 CGADLP CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246349923 804299965 /nfs/dbraw/zinc/29/99/65/804299965.db2.gz WZARAXYHFNYCLG-HNNXBMFYSA-N 2 2 276.424 3.096 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)CC[NH2+]1 ZINC001246399424 804322059 /nfs/dbraw/zinc/32/20/59/804322059.db2.gz ZCXCJJKFHJWCMX-GHJWDPDVSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1cccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246411544 804325950 /nfs/dbraw/zinc/32/59/50/804325950.db2.gz FJDAMGPXDSYLJE-INIZCTEOSA-N 2 2 258.409 3.106 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2cccc(F)c2)C[NH2+]1 ZINC001246446973 804336052 /nfs/dbraw/zinc/33/60/52/804336052.db2.gz FKFRDUQWITWNDR-CSMYWGQOSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1ccc(C2([NH2+][C@@H]3CC[NH2+]C3)CCC(F)(F)CC2)cc1 ZINC001246454696 804336135 /nfs/dbraw/zinc/33/61/35/804336135.db2.gz FKPZOESLNKROFJ-OAHLLOKOSA-N 2 2 294.389 3.351 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc2ccccc2cn1 ZINC001139999773 804349150 /nfs/dbraw/zinc/34/91/50/804349150.db2.gz CEIOAPXMGDJGJC-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc2ccccc2cn1 ZINC001139999773 804349157 /nfs/dbraw/zinc/34/91/57/804349157.db2.gz CEIOAPXMGDJGJC-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001246489326 804357640 /nfs/dbraw/zinc/35/76/40/804357640.db2.gz NCVBWTDQNPFRSO-VHSXEESVSA-N 2 2 258.768 3.128 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246496308 804359916 /nfs/dbraw/zinc/35/99/16/804359916.db2.gz LOUTZVVKZBTYJV-DYEKYZERSA-N 2 2 298.883 3.408 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246508157 804367250 /nfs/dbraw/zinc/36/72/50/804367250.db2.gz DLOBXQYFXXYQHO-HOCLYGCPSA-N 2 2 264.413 3.253 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246580465 804426087 /nfs/dbraw/zinc/42/60/87/804426087.db2.gz MXTNUYBIDRDFQA-YJBOKZPZSA-N 2 2 292.442 3.333 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246580465 804426089 /nfs/dbraw/zinc/42/60/89/804426089.db2.gz MXTNUYBIDRDFQA-YJBOKZPZSA-N 2 2 292.442 3.333 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246580463 804426260 /nfs/dbraw/zinc/42/62/60/804426260.db2.gz MXTNUYBIDRDFQA-MAUKXSAKSA-N 2 2 292.442 3.333 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246580463 804426263 /nfs/dbraw/zinc/42/62/63/804426263.db2.gz MXTNUYBIDRDFQA-MAUKXSAKSA-N 2 2 292.442 3.333 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589468 804431602 /nfs/dbraw/zinc/43/16/02/804431602.db2.gz OEKQEMXEONWCPR-HZSPNIEDSA-N 2 2 292.389 3.366 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589468 804431607 /nfs/dbraw/zinc/43/16/07/804431607.db2.gz OEKQEMXEONWCPR-HZSPNIEDSA-N 2 2 292.389 3.366 20 0 CGADLP Clc1ccc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246603634 804440106 /nfs/dbraw/zinc/44/01/06/804440106.db2.gz QJLBSELDOIAASI-MRXNPFEDSA-N 2 2 278.827 3.271 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610903 804445730 /nfs/dbraw/zinc/44/57/30/804445730.db2.gz CYMIQOHHDLOAAZ-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610903 804445733 /nfs/dbraw/zinc/44/57/33/804445733.db2.gz CYMIQOHHDLOAAZ-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP c1ccc2c(c1)C[N@@H+](C1CCC3(CC3)CC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616415 804450835 /nfs/dbraw/zinc/45/08/35/804450835.db2.gz BZLMKNUHCAJETQ-ROUUACIJSA-N 2 2 282.431 3.280 20 0 CGADLP c1ccc2c(c1)C[N@H+](C1CCC3(CC3)CC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616415 804450839 /nfs/dbraw/zinc/45/08/39/804450839.db2.gz BZLMKNUHCAJETQ-ROUUACIJSA-N 2 2 282.431 3.280 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663905 804486335 /nfs/dbraw/zinc/48/63/35/804486335.db2.gz NMNAJTPROJAIKV-KZNAEPCWSA-N 2 2 272.436 3.082 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663905 804486338 /nfs/dbraw/zinc/48/63/38/804486338.db2.gz NMNAJTPROJAIKV-KZNAEPCWSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC001246688913 804497211 /nfs/dbraw/zinc/49/72/11/804497211.db2.gz IIIRNEUQLRFCNF-YOEHRIQHSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246790108 804513190 /nfs/dbraw/zinc/51/31/90/804513190.db2.gz UWHQBUWYTHPGNC-DYVFJYSZSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792221 804516220 /nfs/dbraw/zinc/51/62/20/804516220.db2.gz ONAHVPRCFBETRX-KFNAQCHYSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792221 804516224 /nfs/dbraw/zinc/51/62/24/804516224.db2.gz ONAHVPRCFBETRX-KFNAQCHYSA-N 2 2 280.362 3.242 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246807689 804525410 /nfs/dbraw/zinc/52/54/10/804525410.db2.gz PJRVKQMQXRUYKB-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246807689 804525417 /nfs/dbraw/zinc/52/54/17/804525417.db2.gz PJRVKQMQXRUYKB-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246820224 804534952 /nfs/dbraw/zinc/53/49/52/804534952.db2.gz HYYMYFQHEAWEBH-BNOWGMLFSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246820224 804534956 /nfs/dbraw/zinc/53/49/56/804534956.db2.gz HYYMYFQHEAWEBH-BNOWGMLFSA-N 2 2 278.827 3.009 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821029 804535616 /nfs/dbraw/zinc/53/56/16/804535616.db2.gz HPXKPRQYWQIMLW-GJZGRUSLSA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821029 804535619 /nfs/dbraw/zinc/53/56/19/804535619.db2.gz HPXKPRQYWQIMLW-GJZGRUSLSA-N 2 2 276.399 3.452 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001246820995 804535891 /nfs/dbraw/zinc/53/58/91/804535891.db2.gz LKCQUUFFHAMSDC-BZPMIXESSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001246820995 804535893 /nfs/dbraw/zinc/53/58/93/804535893.db2.gz LKCQUUFFHAMSDC-BZPMIXESSA-N 2 2 282.428 3.118 20 0 CGADLP Cc1c[nH]c(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1C ZINC001140862331 804536972 /nfs/dbraw/zinc/53/69/72/804536972.db2.gz APILSYNABMQANW-UHFFFAOYSA-N 2 2 293.430 3.030 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874012 804572691 /nfs/dbraw/zinc/57/26/91/804572691.db2.gz HYUVEBVENKWBAL-WCQYABFASA-N 2 2 298.352 3.204 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874012 804572697 /nfs/dbraw/zinc/57/26/97/804572697.db2.gz HYUVEBVENKWBAL-WCQYABFASA-N 2 2 298.352 3.204 20 0 CGADLP Fc1cccc(F)c1[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246902826 804588178 /nfs/dbraw/zinc/58/81/78/804588178.db2.gz WEFISLDYMHLNSF-TUURBPCVSA-N 2 2 292.373 3.385 20 0 CGADLP Fc1cccc(F)c1[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246902826 804588184 /nfs/dbraw/zinc/58/81/84/804588184.db2.gz WEFISLDYMHLNSF-TUURBPCVSA-N 2 2 292.373 3.385 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930782 804604860 /nfs/dbraw/zinc/60/48/60/804604860.db2.gz VZTFPZUYBOCHHI-SJORKVTESA-N 2 2 288.435 3.017 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CCCC[NH2+]C3)C2)c1 ZINC001246930782 804604862 /nfs/dbraw/zinc/60/48/62/804604862.db2.gz VZTFPZUYBOCHHI-SJORKVTESA-N 2 2 288.435 3.017 20 0 CGADLP Fc1cccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933595 804606756 /nfs/dbraw/zinc/60/67/56/804606756.db2.gz HFWCJPDASVMOQO-CYGHRXIMSA-N 2 2 288.410 3.178 20 0 CGADLP Fc1cccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933595 804606759 /nfs/dbraw/zinc/60/67/59/804606759.db2.gz HFWCJPDASVMOQO-CYGHRXIMSA-N 2 2 288.410 3.178 20 0 CGADLP c1ccc(C[N@H+](C2CCC3(CC3)CC2)[C@H]2CCC[NH2+]C2)nc1 ZINC001246951400 804616294 /nfs/dbraw/zinc/61/62/94/804616294.db2.gz JDDKIJCBTPJZDE-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP c1ccc(C[N@@H+](C2CCC3(CC3)CC2)[C@H]2CCC[NH2+]C2)nc1 ZINC001246951400 804616298 /nfs/dbraw/zinc/61/62/98/804616298.db2.gz JDDKIJCBTPJZDE-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP c1cncc(C[N@H+](C2CCC3(CC3)CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246953056 804617411 /nfs/dbraw/zinc/61/74/11/804617411.db2.gz PEQKFZMXRLRIRQ-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP c1cncc(C[N@@H+](C2CCC3(CC3)CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246953056 804617416 /nfs/dbraw/zinc/61/74/16/804617416.db2.gz PEQKFZMXRLRIRQ-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP c1cn(-c2cccc(C[N@@H+](CC3CC3)C3CC3)c2)c[nH+]1 ZINC001141243688 804622301 /nfs/dbraw/zinc/62/23/01/804622301.db2.gz RZUUJTOEJNEVPH-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2cccc(C[N@H+](CC3CC3)C3CC3)c2)c[nH+]1 ZINC001141243688 804622308 /nfs/dbraw/zinc/62/23/08/804622308.db2.gz RZUUJTOEJNEVPH-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541964 804946881 /nfs/dbraw/zinc/94/68/81/804946881.db2.gz RBGBIYUEHYFYHC-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541964 804946884 /nfs/dbraw/zinc/94/68/84/804946884.db2.gz RBGBIYUEHYFYHC-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541964 804946888 /nfs/dbraw/zinc/94/68/88/804946888.db2.gz RBGBIYUEHYFYHC-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541964 804946892 /nfs/dbraw/zinc/94/68/92/804946892.db2.gz RBGBIYUEHYFYHC-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001248817380 805003633 /nfs/dbraw/zinc/00/36/33/805003633.db2.gz SJQQYFFKXIONJH-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001248817380 805003645 /nfs/dbraw/zinc/00/36/45/805003645.db2.gz SJQQYFFKXIONJH-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1[C@H](C)CC ZINC001249410149 805142305 /nfs/dbraw/zinc/14/23/05/805142305.db2.gz PACNNKXNCHBXKL-OAHLLOKOSA-N 2 2 294.487 3.097 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1[C@H](C)CC ZINC001249410149 805142308 /nfs/dbraw/zinc/14/23/08/805142308.db2.gz PACNNKXNCHBXKL-OAHLLOKOSA-N 2 2 294.487 3.097 20 0 CGADLP Cc1ccc2[nH+]c(N)n(-c3cc[nH+]cc3C(F)(F)F)c2c1 ZINC001249583338 805180231 /nfs/dbraw/zinc/18/02/31/805180231.db2.gz GVUULLRSJUWLII-UHFFFAOYSA-N 2 2 292.264 3.330 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(F)cc1OC ZINC001250118198 805426612 /nfs/dbraw/zinc/42/66/12/805426612.db2.gz XDRNBKBDTYKGGJ-UHFFFAOYSA-N 2 2 296.430 3.306 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(F)cc1OC ZINC001250118198 805426616 /nfs/dbraw/zinc/42/66/16/805426616.db2.gz XDRNBKBDTYKGGJ-UHFFFAOYSA-N 2 2 296.430 3.306 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001154975025 805516274 /nfs/dbraw/zinc/51/62/74/805516274.db2.gz GPWJVHCPUMJGAP-JKSUJKDBSA-N 2 2 267.376 3.430 20 0 CGADLP COc1ccc2[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c(C)cc2c1 ZINC001154978600 805516955 /nfs/dbraw/zinc/51/69/55/805516955.db2.gz ROIGZUARQREJDQ-KBPBESRZSA-N 2 2 285.391 3.234 20 0 CGADLP Clc1ccc(Cl)c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057602 805530279 /nfs/dbraw/zinc/53/02/79/805530279.db2.gz LGTQLNLTYLIBMH-UHFFFAOYSA-N 2 2 297.189 3.041 20 0 CGADLP Cc1ccc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155057673 805530537 /nfs/dbraw/zinc/53/05/37/805530537.db2.gz MIKJBEIYNYAMLB-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001257211541 807062146 /nfs/dbraw/zinc/06/21/46/807062146.db2.gz HPPBBZHGJWDVBI-KRWDZBQOSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(C)(C)O3)CC2)CC1 ZINC001257223964 807065069 /nfs/dbraw/zinc/06/50/69/807065069.db2.gz KKVUTRGPBNHWBY-UHFFFAOYSA-N 2 2 294.483 3.283 20 0 CGADLP Cc1[nH+]c2ccc(N[C@H]3CC[N@H+](C)C3)cc2n1C(C)C ZINC001167278431 807175273 /nfs/dbraw/zinc/17/52/73/807175273.db2.gz KMXBAWDVOJQRDD-AWEZNQCLSA-N 2 2 272.396 3.042 20 0 CGADLP Cc1[nH+]c2ccc(N[C@H]3CC[N@@H+](C)C3)cc2n1C(C)C ZINC001167278431 807175275 /nfs/dbraw/zinc/17/52/75/807175275.db2.gz KMXBAWDVOJQRDD-AWEZNQCLSA-N 2 2 272.396 3.042 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+](Cc2ccco2)C2CC2)CC1 ZINC001258017800 807267091 /nfs/dbraw/zinc/26/70/91/807267091.db2.gz QANJFDCGOPUTLK-UHFFFAOYSA-N 2 2 276.424 3.364 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001258017800 807267093 /nfs/dbraw/zinc/26/70/93/807267093.db2.gz QANJFDCGOPUTLK-UHFFFAOYSA-N 2 2 276.424 3.364 20 0 CGADLP F[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145142 807320595 /nfs/dbraw/zinc/32/05/95/807320595.db2.gz FJMCIAZQHDICSL-QGZVFWFLSA-N 2 2 290.426 3.127 20 0 CGADLP F[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145142 807320605 /nfs/dbraw/zinc/32/06/05/807320605.db2.gz FJMCIAZQHDICSL-QGZVFWFLSA-N 2 2 290.426 3.127 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C)CC1 ZINC001168199280 807344338 /nfs/dbraw/zinc/34/43/38/807344338.db2.gz LZQSEJGRUDONKC-SIWZUTFBSA-N 2 2 252.446 3.275 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258328611 807411911 /nfs/dbraw/zinc/41/19/11/807411911.db2.gz XXMSCMNIZVUIMD-OLZOCXBDSA-N 2 2 270.486 3.123 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258328611 807411915 /nfs/dbraw/zinc/41/19/15/807411915.db2.gz XXMSCMNIZVUIMD-OLZOCXBDSA-N 2 2 270.486 3.123 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258347139 807423183 /nfs/dbraw/zinc/42/31/83/807423183.db2.gz VPTAIKZPDZZPDS-ZDUSSCGKSA-N 2 2 281.469 3.440 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001168496992 807436321 /nfs/dbraw/zinc/43/63/21/807436321.db2.gz LZTFBPBRCFWKNL-CQSZACIVSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001168496992 807436322 /nfs/dbraw/zinc/43/63/22/807436322.db2.gz LZTFBPBRCFWKNL-CQSZACIVSA-N 2 2 290.426 3.315 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603892 807502482 /nfs/dbraw/zinc/50/24/82/807502482.db2.gz RIBPEOUCWOTUCS-JZXOWHBKSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603892 807502485 /nfs/dbraw/zinc/50/24/85/807502485.db2.gz RIBPEOUCWOTUCS-JZXOWHBKSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603892 807502486 /nfs/dbraw/zinc/50/24/86/807502486.db2.gz RIBPEOUCWOTUCS-JZXOWHBKSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603892 807502491 /nfs/dbraw/zinc/50/24/91/807502491.db2.gz RIBPEOUCWOTUCS-JZXOWHBKSA-N 2 2 299.462 3.024 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCC(C)(C)C2)C1 ZINC001258608620 807506141 /nfs/dbraw/zinc/50/61/41/807506141.db2.gz MDWQLVIDYUYJAK-LSDHHAIUSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCC(C)(C)C2)C1 ZINC001258608620 807506143 /nfs/dbraw/zinc/50/61/43/807506143.db2.gz MDWQLVIDYUYJAK-LSDHHAIUSA-N 2 2 274.408 3.422 20 0 CGADLP C[C@H](Cc1cccnc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258617437 807511867 /nfs/dbraw/zinc/51/18/67/807511867.db2.gz FPZYHZUQWYGNES-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691195 807547406 /nfs/dbraw/zinc/54/74/06/807547406.db2.gz ZGFFXIWGMGRXMD-OWCLPIDISA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691195 807547408 /nfs/dbraw/zinc/54/74/08/807547408.db2.gz ZGFFXIWGMGRXMD-OWCLPIDISA-N 2 2 294.483 3.044 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698084 807552391 /nfs/dbraw/zinc/55/23/91/807552391.db2.gz VBRPWLRISIBRIN-JSGCOSHPSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698084 807552393 /nfs/dbraw/zinc/55/23/93/807552393.db2.gz VBRPWLRISIBRIN-JSGCOSHPSA-N 2 2 261.413 3.222 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001169092655 807570812 /nfs/dbraw/zinc/57/08/12/807570812.db2.gz BZOBZFDCNXNRRX-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001169092655 807570817 /nfs/dbraw/zinc/57/08/17/807570817.db2.gz BZOBZFDCNXNRRX-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090735 807571418 /nfs/dbraw/zinc/57/14/18/807571418.db2.gz MBFZLYOIDYNUCL-QKDCVEJESA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090735 807571421 /nfs/dbraw/zinc/57/14/21/807571421.db2.gz MBFZLYOIDYNUCL-QKDCVEJESA-N 2 2 294.826 3.063 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC001258745908 807589310 /nfs/dbraw/zinc/58/93/10/807589310.db2.gz YGORICCWSIILSX-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC001258745909 807590695 /nfs/dbraw/zinc/59/06/95/807590695.db2.gz YGORICCWSIILSX-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001169153247 807594630 /nfs/dbraw/zinc/59/46/30/807594630.db2.gz IDLFUAUTCVOIKA-ZSHCYNCHSA-N 2 2 292.467 3.035 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001169153247 807594634 /nfs/dbraw/zinc/59/46/34/807594634.db2.gz IDLFUAUTCVOIKA-ZSHCYNCHSA-N 2 2 292.467 3.035 20 0 CGADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258755960 807596307 /nfs/dbraw/zinc/59/63/07/807596307.db2.gz DTFXFZWOENZDEC-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258755960 807596310 /nfs/dbraw/zinc/59/63/10/807596310.db2.gz DTFXFZWOENZDEC-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@@H](CCC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258764504 807601320 /nfs/dbraw/zinc/60/13/20/807601320.db2.gz SWBMKSIQRZLWCM-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258764504 807601322 /nfs/dbraw/zinc/60/13/22/807601322.db2.gz SWBMKSIQRZLWCM-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](c2cccnc2F)C2CC2)CC1 ZINC001258770883 807603605 /nfs/dbraw/zinc/60/36/05/807603605.db2.gz TXMBQZKUQKIJCC-MRXNPFEDSA-N 2 2 291.414 3.136 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794311 807616781 /nfs/dbraw/zinc/61/67/81/807616781.db2.gz KJNHAJUZQOLDJA-HZPDHXFCSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794311 807616785 /nfs/dbraw/zinc/61/67/85/807616785.db2.gz KJNHAJUZQOLDJA-HZPDHXFCSA-N 2 2 284.488 3.244 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001258813349 807631276 /nfs/dbraw/zinc/63/12/76/807631276.db2.gz JZHXEJZIIIUECG-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001258813349 807631282 /nfs/dbraw/zinc/63/12/82/807631282.db2.gz JZHXEJZIIIUECG-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001258893094 807665875 /nfs/dbraw/zinc/66/58/75/807665875.db2.gz YMMPNQOKJVPRDN-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1ccccc1OC)C1CC[NH+](C)CC1 ZINC001258893094 807665884 /nfs/dbraw/zinc/66/58/84/807665884.db2.gz YMMPNQOKJVPRDN-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001170109345 807761019 /nfs/dbraw/zinc/76/10/19/807761019.db2.gz NXXSPQBMVXBKMJ-HOCLYGCPSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@H]1CC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001170120679 807766268 /nfs/dbraw/zinc/76/62/68/807766268.db2.gz JGHWDDGXUAFMCJ-SWLSCSKDSA-N 2 2 255.365 3.370 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](Cc2ccccc2)C2CC2)c(C)[nH+]1 ZINC001262240179 807840932 /nfs/dbraw/zinc/84/09/32/807840932.db2.gz WBNILZKXXVUVKD-MRXNPFEDSA-N 2 2 269.392 3.137 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@H](Nc3[nH+]ccc4cc(F)ccc43)[C@@H]2C1 ZINC001262725280 807901606 /nfs/dbraw/zinc/90/16/06/807901606.db2.gz SXTNJXPLVJQRFL-MAZHCROVSA-N 2 2 285.366 3.126 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@H](Nc3[nH+]ccc4cc(F)ccc43)[C@@H]2C1 ZINC001262725280 807901610 /nfs/dbraw/zinc/90/16/10/807901610.db2.gz SXTNJXPLVJQRFL-MAZHCROVSA-N 2 2 285.366 3.126 20 0 CGADLP Clc1cccc2c1CC[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171008151 807958892 /nfs/dbraw/zinc/95/88/92/807958892.db2.gz GPRASSMSFRHFQI-AWEZNQCLSA-N 2 2 289.810 3.074 20 0 CGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(C)[nH+]c(C)n3)c2c1 ZINC001171167470 807999601 /nfs/dbraw/zinc/99/96/01/807999601.db2.gz ZMBSJDDIVHIIPL-GFCCVEGCSA-N 2 2 294.402 3.235 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001172098608 808170366 /nfs/dbraw/zinc/17/03/66/808170366.db2.gz AZHLMZBNRGNYSG-XYYAHUGASA-N 2 2 280.362 3.070 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001172098608 808170370 /nfs/dbraw/zinc/17/03/70/808170370.db2.gz AZHLMZBNRGNYSG-XYYAHUGASA-N 2 2 280.362 3.070 20 0 CGADLP Cc1[nH+]cn([C@@H]2CC[C@@H](C)[C@H](C)C2)c1CSCC[NH3+] ZINC001172363726 808258302 /nfs/dbraw/zinc/25/83/02/808258302.db2.gz OSVDMPXONKNOBE-YRGRVCCFSA-N 2 2 281.469 3.381 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172368792 808264690 /nfs/dbraw/zinc/26/46/90/808264690.db2.gz JFLDWRBWKGMFJM-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172368792 808264701 /nfs/dbraw/zinc/26/47/01/808264701.db2.gz JFLDWRBWKGMFJM-QXSJWSMHSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001172384779 808277777 /nfs/dbraw/zinc/27/77/77/808277777.db2.gz WRBJQWMISBHDHA-HLLBOEOZSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1[nH+]cn([C@H](C)CCOCC(C)C)c1CSCC[NH3+] ZINC001172458544 808329894 /nfs/dbraw/zinc/32/98/94/808329894.db2.gz FERVGQKKHVNICQ-CYBMUJFWSA-N 2 2 299.484 3.007 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)CCOC(C)C)C1 ZINC001172462076 808332605 /nfs/dbraw/zinc/33/26/05/808332605.db2.gz YRMMLYKEOOACEH-HZPDHXFCSA-N 2 2 292.423 3.047 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)CCOC(C)C)C1 ZINC001172462076 808332615 /nfs/dbraw/zinc/33/26/15/808332615.db2.gz YRMMLYKEOOACEH-HZPDHXFCSA-N 2 2 292.423 3.047 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531804 808369302 /nfs/dbraw/zinc/36/93/02/808369302.db2.gz ARIRYENFDWLRES-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531804 808369312 /nfs/dbraw/zinc/36/93/12/808369312.db2.gz ARIRYENFDWLRES-FGTMMUONSA-N 2 2 272.436 3.397 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001172716707 808416053 /nfs/dbraw/zinc/41/60/53/808416053.db2.gz NWUUKZQNIBSSHH-JKSUJKDBSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001172716707 808416061 /nfs/dbraw/zinc/41/60/61/808416061.db2.gz NWUUKZQNIBSSHH-JKSUJKDBSA-N 2 2 290.838 3.024 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH+](C)C ZINC001172873117 808472167 /nfs/dbraw/zinc/47/21/67/808472167.db2.gz GDDWUQFUTIXCFS-VXGBXAGGSA-N 2 2 286.872 3.360 20 0 CGADLP CCc1ccc(C[C@@H](C)n2c[nH+]c(C)c2CC[NH3+])cc1 ZINC001173235704 808544713 /nfs/dbraw/zinc/54/47/13/808544713.db2.gz OGZNIUPUDAEEBT-CYBMUJFWSA-N 2 2 271.408 3.059 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]CCOc2cc[nH+]cc2)cc1 ZINC001173251889 808559908 /nfs/dbraw/zinc/55/99/08/808559908.db2.gz FKPCSBMWKLSPCP-OAHLLOKOSA-N 2 2 284.403 3.244 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282850 808584543 /nfs/dbraw/zinc/58/45/43/808584543.db2.gz RHXVPYWZAMMGTC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282850 808584548 /nfs/dbraw/zinc/58/45/48/808584548.db2.gz RHXVPYWZAMMGTC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282850 808584552 /nfs/dbraw/zinc/58/45/52/808584552.db2.gz RHXVPYWZAMMGTC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282850 808584555 /nfs/dbraw/zinc/58/45/55/808584555.db2.gz RHXVPYWZAMMGTC-OQIJWPOYSA-N 2 2 299.462 3.024 20 0 CGADLP Cc1[nH]c2ccc(Nc3cccn4cc[nH+]c34)cc2[nH+]1 ZINC001213071205 815220183 /nfs/dbraw/zinc/22/01/83/815220183.db2.gz FIQVQAIGIXYQEC-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173345386 808622909 /nfs/dbraw/zinc/62/29/09/808622909.db2.gz FLTVOBIVKKNARV-OAHLLOKOSA-N 2 2 275.440 3.445 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCCC2(CCCCC2)C1 ZINC001173348122 808625547 /nfs/dbraw/zinc/62/55/47/808625547.db2.gz IVFDVUMVDZJKHU-AWEZNQCLSA-N 2 2 261.413 3.450 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1cccn2cc[nH+]c12 ZINC001173929251 808767778 /nfs/dbraw/zinc/76/77/78/808767778.db2.gz MZGRJYYWKQYIPF-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP CCN(C)c1ccc(Nc2ccccc2C[NH+](C)C)c[nH+]1 ZINC001173929117 808768536 /nfs/dbraw/zinc/76/85/36/808768536.db2.gz WETDGVOXLYYAKY-UHFFFAOYSA-N 2 2 284.407 3.343 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066066 808903032 /nfs/dbraw/zinc/90/30/32/808903032.db2.gz QGKRTDQSKIJRIU-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066066 808903039 /nfs/dbraw/zinc/90/30/39/808903039.db2.gz QGKRTDQSKIJRIU-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275066066 808903048 /nfs/dbraw/zinc/90/30/48/808903048.db2.gz QGKRTDQSKIJRIU-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275066066 808903056 /nfs/dbraw/zinc/90/30/56/808903056.db2.gz QGKRTDQSKIJRIU-FUHWJXTLSA-N 2 2 294.483 3.142 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCO[C@@]2(CCC[NH+](CC)C2)C1 ZINC001275084785 808905547 /nfs/dbraw/zinc/90/55/47/808905547.db2.gz FWPUCBHTPOUIOQ-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCO[C@@]2(CCC[NH+](CC)C2)C1 ZINC001275084785 808905549 /nfs/dbraw/zinc/90/55/49/808905549.db2.gz FWPUCBHTPOUIOQ-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCO[C@@]2(CCC[N@H+](CC)C2)C1 ZINC001275084785 808905552 /nfs/dbraw/zinc/90/55/52/808905552.db2.gz FWPUCBHTPOUIOQ-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCO[C@@]2(CCC[N@@H+](CC)C2)C1 ZINC001275084785 808905554 /nfs/dbraw/zinc/90/55/54/808905554.db2.gz FWPUCBHTPOUIOQ-ZWKOTPCHSA-N 2 2 296.499 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275265603 808923889 /nfs/dbraw/zinc/92/38/89/808923889.db2.gz ONKZOXKOLWELPS-SFHVURJKSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001275265603 808923894 /nfs/dbraw/zinc/92/38/94/808923894.db2.gz ONKZOXKOLWELPS-SFHVURJKSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275265603 808923898 /nfs/dbraw/zinc/92/38/98/808923898.db2.gz ONKZOXKOLWELPS-SFHVURJKSA-N 2 2 288.435 3.003 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275265603 808923903 /nfs/dbraw/zinc/92/39/03/808923903.db2.gz ONKZOXKOLWELPS-SFHVURJKSA-N 2 2 288.435 3.003 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3ccc4[nH+]ccn4c3)n21 ZINC001174279249 808928679 /nfs/dbraw/zinc/92/86/79/808928679.db2.gz ZIHHOOBUUQVWIH-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624821 809085317 /nfs/dbraw/zinc/08/53/17/809085317.db2.gz IRDJFWFJAZRVLN-LJQANCHMSA-N 2 2 299.462 3.267 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624821 809085324 /nfs/dbraw/zinc/08/53/24/809085324.db2.gz IRDJFWFJAZRVLN-LJQANCHMSA-N 2 2 299.462 3.267 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624821 809085329 /nfs/dbraw/zinc/08/53/29/809085329.db2.gz IRDJFWFJAZRVLN-LJQANCHMSA-N 2 2 299.462 3.267 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624821 809085337 /nfs/dbraw/zinc/08/53/37/809085337.db2.gz IRDJFWFJAZRVLN-LJQANCHMSA-N 2 2 299.462 3.267 20 0 CGADLP Cc1cc(C)c(Nc2c[nH+]c3cccc(C)n23)c[nH+]1 ZINC001213511158 815295141 /nfs/dbraw/zinc/29/51/41/815295141.db2.gz ZQSYTEFGYAJYOO-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP [NH3+]Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001175966612 809585345 /nfs/dbraw/zinc/58/53/45/809585345.db2.gz AYWFWCSJIOQAJY-UHFFFAOYSA-N 2 2 283.253 3.183 20 0 CGADLP [NH3+]Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001175969215 809586181 /nfs/dbraw/zinc/58/61/81/809586181.db2.gz QJNIAWVDGSGMHC-UHFFFAOYSA-N 2 2 264.332 3.075 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176289824 809662658 /nfs/dbraw/zinc/66/26/58/809662658.db2.gz RLOLTPYKKVGVKF-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC001177416850 809797320 /nfs/dbraw/zinc/79/73/20/809797320.db2.gz XVNKIERHUIXBSU-CQSZACIVSA-N 2 2 295.496 3.478 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001179142879 809906619 /nfs/dbraw/zinc/90/66/19/809906619.db2.gz ONSVPFVWYNREMV-JYJNAYRXSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001179142879 809906622 /nfs/dbraw/zinc/90/66/22/809906622.db2.gz ONSVPFVWYNREMV-JYJNAYRXSA-N 2 2 264.457 3.441 20 0 CGADLP CC(C)COc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001179266279 809911768 /nfs/dbraw/zinc/91/17/68/809911768.db2.gz KZVZWMKXLQFXGZ-HNNXBMFYSA-N 2 2 278.440 3.151 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC001179747963 809941595 /nfs/dbraw/zinc/94/15/95/809941595.db2.gz SREZRTUCNHETTQ-RTRPANQVSA-N 2 2 278.415 3.405 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC001192004444 810766705 /nfs/dbraw/zinc/76/67/05/810766705.db2.gz JUHHJKPZDKVYPO-SFHVURJKSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC001192004444 810766712 /nfs/dbraw/zinc/76/67/12/810766712.db2.gz JUHHJKPZDKVYPO-SFHVURJKSA-N 2 2 274.452 3.254 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001199268383 811569119 /nfs/dbraw/zinc/56/91/19/811569119.db2.gz WSAMWJSOBQJXBD-LVQVYYBASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001199268383 811569123 /nfs/dbraw/zinc/56/91/23/811569123.db2.gz WSAMWJSOBQJXBD-LVQVYYBASA-N 2 2 252.446 3.133 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001202190348 812035690 /nfs/dbraw/zinc/03/56/90/812035690.db2.gz OTHFGRVMBLIXBY-OAHLLOKOSA-N 2 2 260.381 3.033 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001202190348 812035700 /nfs/dbraw/zinc/03/57/00/812035700.db2.gz OTHFGRVMBLIXBY-OAHLLOKOSA-N 2 2 260.381 3.033 20 0 CGADLP CC[N@H+](Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001203382282 812337043 /nfs/dbraw/zinc/33/70/43/812337043.db2.gz VMNIXSASVWFEIB-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC[N@@H+](Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001203382282 812337052 /nfs/dbraw/zinc/33/70/52/812337052.db2.gz VMNIXSASVWFEIB-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP Cc1ccoc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001203470825 812371388 /nfs/dbraw/zinc/37/13/88/812371388.db2.gz JCMVWYDTEJWRRY-MRXNPFEDSA-N 2 2 281.359 3.316 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC001203658150 812418940 /nfs/dbraw/zinc/41/89/40/812418940.db2.gz XZFUMEFHCVVVDY-UHFFFAOYSA-N 2 2 265.320 3.023 20 0 CGADLP COc1cc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC001203758201 812456778 /nfs/dbraw/zinc/45/67/78/812456778.db2.gz LHSXTURGAXSSTO-UHFFFAOYSA-N 2 2 299.418 3.346 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC001204933645 812783926 /nfs/dbraw/zinc/78/39/26/812783926.db2.gz WKXBNCGKGDCFBQ-CYBMUJFWSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC001204933645 812783931 /nfs/dbraw/zinc/78/39/31/812783931.db2.gz WKXBNCGKGDCFBQ-CYBMUJFWSA-N 2 2 290.432 3.223 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204945090 812790756 /nfs/dbraw/zinc/79/07/56/812790756.db2.gz FRNMSHDJXILDNP-QGZVFWFLSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204945090 812790760 /nfs/dbraw/zinc/79/07/60/812790760.db2.gz FRNMSHDJXILDNP-QGZVFWFLSA-N 2 2 276.424 3.095 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1C(C)C ZINC001204946127 812791669 /nfs/dbraw/zinc/79/16/69/812791669.db2.gz LAJUJUWVIGLQTP-GOSISDBHSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1C(C)C ZINC001204946127 812791672 /nfs/dbraw/zinc/79/16/72/812791672.db2.gz LAJUJUWVIGLQTP-GOSISDBHSA-N 2 2 290.451 3.440 20 0 CGADLP c1cn2ccc(Nc3c[nH+]ccc3N3CCCC3)cc2[nH+]1 ZINC001204972035 812804150 /nfs/dbraw/zinc/80/41/50/812804150.db2.gz VDCPTRNTKCHIEM-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205083043 812854079 /nfs/dbraw/zinc/85/40/79/812854079.db2.gz NNUARFLAURNIBN-KXBFYZLASA-N 2 2 295.430 3.369 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])c2)cc1 ZINC001205083043 812854087 /nfs/dbraw/zinc/85/40/87/812854087.db2.gz NNUARFLAURNIBN-KXBFYZLASA-N 2 2 295.430 3.369 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001205094947 812860826 /nfs/dbraw/zinc/86/08/26/812860826.db2.gz RNHFIANOXYXMBW-GFCCVEGCSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC001205094947 812860833 /nfs/dbraw/zinc/86/08/33/812860833.db2.gz RNHFIANOXYXMBW-GFCCVEGCSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2nc3ccccc3cc2Cl)CC1 ZINC001205124413 812878304 /nfs/dbraw/zinc/87/83/04/812878304.db2.gz QNNAJSUSLQIQGV-ZDUSSCGKSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2nc3ccccc3cc2Cl)CC1 ZINC001205124413 812878308 /nfs/dbraw/zinc/87/83/08/812878308.db2.gz QNNAJSUSLQIQGV-ZDUSSCGKSA-N 2 2 289.810 3.201 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001205190508 812903386 /nfs/dbraw/zinc/90/33/86/812903386.db2.gz QYYWTBLUBGMKRQ-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001205190508 812903390 /nfs/dbraw/zinc/90/33/90/812903390.db2.gz QYYWTBLUBGMKRQ-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1F ZINC001205281919 812929866 /nfs/dbraw/zinc/92/98/66/812929866.db2.gz ZJTJGZUVOJDMPJ-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1F ZINC001205281919 812929873 /nfs/dbraw/zinc/92/98/73/812929873.db2.gz ZJTJGZUVOJDMPJ-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205318299 812950600 /nfs/dbraw/zinc/95/06/00/812950600.db2.gz TYTVOJWDGCJBCS-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205318299 812950603 /nfs/dbraw/zinc/95/06/03/812950603.db2.gz TYTVOJWDGCJBCS-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cnc1-c1ccccc1 ZINC001205339958 812963084 /nfs/dbraw/zinc/96/30/84/812963084.db2.gz OQJSUUILRKLCHK-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cnc1-c1ccccc1 ZINC001205339958 812963087 /nfs/dbraw/zinc/96/30/87/812963087.db2.gz OQJSUUILRKLCHK-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP CCc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(CC)c1O ZINC001205826573 813098772 /nfs/dbraw/zinc/09/87/72/813098772.db2.gz AIOVFCJDINFWIL-SUMWQHHRSA-N 2 2 290.451 3.076 20 0 CGADLP CCc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(CC)c1O ZINC001205826573 813098780 /nfs/dbraw/zinc/09/87/80/813098780.db2.gz AIOVFCJDINFWIL-SUMWQHHRSA-N 2 2 290.451 3.076 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001205904275 813126118 /nfs/dbraw/zinc/12/61/18/813126118.db2.gz UCZIJVRSPHPREM-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001205904275 813126121 /nfs/dbraw/zinc/12/61/21/813126121.db2.gz UCZIJVRSPHPREM-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001206337891 813294249 /nfs/dbraw/zinc/29/42/49/813294249.db2.gz WPNXFVJOYCFVDE-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206337891 813294254 /nfs/dbraw/zinc/29/42/54/813294254.db2.gz WPNXFVJOYCFVDE-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP CCCOc1ccccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206351359 813300391 /nfs/dbraw/zinc/30/03/91/813300391.db2.gz BUFAQHMVMARZCR-KRWDZBQOSA-N 2 2 294.414 3.128 20 0 CGADLP CCCOc1ccccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206351359 813300399 /nfs/dbraw/zinc/30/03/99/813300399.db2.gz BUFAQHMVMARZCR-KRWDZBQOSA-N 2 2 294.414 3.128 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C[C@@H]1OC ZINC001206646187 813385252 /nfs/dbraw/zinc/38/52/52/813385252.db2.gz PQYFZGKTLNXYAA-ZNMIVQPWSA-N 2 2 282.472 3.043 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C[C@@H]1OC ZINC001206646187 813385261 /nfs/dbraw/zinc/38/52/61/813385261.db2.gz PQYFZGKTLNXYAA-ZNMIVQPWSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1[nH+]c2ccccc2n1C ZINC001206714077 813404967 /nfs/dbraw/zinc/40/49/67/813404967.db2.gz ASWQQWJSMQCGEX-UHFFFAOYSA-N 2 2 281.363 3.086 20 0 CGADLP Cc1cncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001207162425 813501889 /nfs/dbraw/zinc/50/18/89/813501889.db2.gz KFLNMUWOGXIEKH-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001207162425 813501895 /nfs/dbraw/zinc/50/18/95/813501895.db2.gz KFLNMUWOGXIEKH-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP CC[N@@H+](CCc1cccc(Cl)c1)CCn1cc[nH+]c1 ZINC001207424917 813562741 /nfs/dbraw/zinc/56/27/41/813562741.db2.gz ALPYJESSMPTJOB-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP CC[N@H+](CCc1cccc(Cl)c1)CCn1cc[nH+]c1 ZINC001207424917 813562745 /nfs/dbraw/zinc/56/27/45/813562745.db2.gz ALPYJESSMPTJOB-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP CC[N@H+](CCCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001207579685 813598893 /nfs/dbraw/zinc/59/88/93/813598893.db2.gz KLDGDRYXCJNPTQ-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP CC[N@@H+](CCCc1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001207579685 813598899 /nfs/dbraw/zinc/59/88/99/813598899.db2.gz KLDGDRYXCJNPTQ-UHFFFAOYSA-N 2 2 290.451 3.044 20 0 CGADLP F[C@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1[NH+]1CCCCC1 ZINC001207636271 813625584 /nfs/dbraw/zinc/62/55/84/813625584.db2.gz TZEGFMANJHIOPT-OBVSXPTNSA-N 2 2 292.442 3.097 20 0 CGADLP F[C@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1[NH+]1CCCCC1 ZINC001207636271 813625588 /nfs/dbraw/zinc/62/55/88/813625588.db2.gz TZEGFMANJHIOPT-OBVSXPTNSA-N 2 2 292.442 3.097 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+](C[C@H]2CCC(C)=C[C@@H]2C)CCO1 ZINC001208167430 813721635 /nfs/dbraw/zinc/72/16/35/813721635.db2.gz GCCWQJFATDROKI-RCCFBDPRSA-N 2 2 294.483 3.021 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+](C[C@H]2CCC(C)=C[C@@H]2C)CCO1 ZINC001208167430 813721642 /nfs/dbraw/zinc/72/16/42/813721642.db2.gz GCCWQJFATDROKI-RCCFBDPRSA-N 2 2 294.483 3.021 20 0 CGADLP C[NH+](C)Cc1c(F)cc(-c2ccc3c(c2)C[NH2+]C3)cc1F ZINC001242676609 823096407 /nfs/dbraw/zinc/09/64/07/823096407.db2.gz RRFXJEMYOVYEPI-UHFFFAOYSA-N 2 2 288.341 3.297 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c[nH]c21 ZINC001209494256 814063092 /nfs/dbraw/zinc/06/30/92/814063092.db2.gz OLLNWWOBDROLLG-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c[nH]c21 ZINC001209494256 814063101 /nfs/dbraw/zinc/06/31/01/814063101.db2.gz OLLNWWOBDROLLG-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001209494256 814063107 /nfs/dbraw/zinc/06/31/07/814063107.db2.gz OLLNWWOBDROLLG-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c[nH]c21 ZINC001209494256 814063112 /nfs/dbraw/zinc/06/31/12/814063112.db2.gz OLLNWWOBDROLLG-RHSMWYFYSA-N 2 2 283.419 3.002 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209695197 814114715 /nfs/dbraw/zinc/11/47/15/814114715.db2.gz FEGHTNXRVKEVPA-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209695197 814114719 /nfs/dbraw/zinc/11/47/19/814114719.db2.gz FEGHTNXRVKEVPA-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474949 814478718 /nfs/dbraw/zinc/47/87/18/814478718.db2.gz IWLMQMXKKGYHGN-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210474949 814478724 /nfs/dbraw/zinc/47/87/24/814478724.db2.gz IWLMQMXKKGYHGN-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)c2)CC[NH2+]1 ZINC001210518618 814503519 /nfs/dbraw/zinc/50/35/19/814503519.db2.gz GRVQMQFYWCLKCU-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)CC[NH2+]1 ZINC001210518618 814503524 /nfs/dbraw/zinc/50/35/24/814503524.db2.gz GRVQMQFYWCLKCU-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[NH2+]Cc1cccc(Nc2[nH+]c3ccccc3n2C)c1F ZINC001216221336 815741566 /nfs/dbraw/zinc/74/15/66/815741566.db2.gz YNHFCSGFUDJMIN-UHFFFAOYSA-N 2 2 284.338 3.175 20 0 CGADLP CSc1cncc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242948970 823184638 /nfs/dbraw/zinc/18/46/38/823184638.db2.gz HHNWFUCABVUIAU-HNNXBMFYSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242948970 823184640 /nfs/dbraw/zinc/18/46/40/823184640.db2.gz HHNWFUCABVUIAU-HNNXBMFYSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc(C)c1F ZINC001222248290 816386010 /nfs/dbraw/zinc/38/60/10/816386010.db2.gz KNCVOFDRGPTGSX-KRWDZBQOSA-N 2 2 276.399 3.161 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc(C)c1F ZINC001222248290 816386018 /nfs/dbraw/zinc/38/60/18/816386018.db2.gz KNCVOFDRGPTGSX-KRWDZBQOSA-N 2 2 276.399 3.161 20 0 CGADLP c1nc2cccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2s1 ZINC001222252577 816387058 /nfs/dbraw/zinc/38/70/58/816387058.db2.gz GUPPPZCFPIEBPP-INIZCTEOSA-N 2 2 287.432 3.014 20 0 CGADLP c1nc2cccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2s1 ZINC001222252577 816387064 /nfs/dbraw/zinc/38/70/64/816387064.db2.gz GUPPPZCFPIEBPP-INIZCTEOSA-N 2 2 287.432 3.014 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222278235 816393493 /nfs/dbraw/zinc/39/34/93/816393493.db2.gz YNYFKDASUOITQH-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC001222278235 816393497 /nfs/dbraw/zinc/39/34/97/816393497.db2.gz YNYFKDASUOITQH-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222360968 816419283 /nfs/dbraw/zinc/41/92/83/816419283.db2.gz VNYDPVVGBUCJSE-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222360968 816419286 /nfs/dbraw/zinc/41/92/86/816419286.db2.gz VNYDPVVGBUCJSE-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)ccc2c1 ZINC001222427252 816442659 /nfs/dbraw/zinc/44/26/59/816442659.db2.gz PETFXIDPDLBROK-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)ccc2c1 ZINC001222427252 816442664 /nfs/dbraw/zinc/44/26/64/816442664.db2.gz PETFXIDPDLBROK-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c12 ZINC001222434194 816443890 /nfs/dbraw/zinc/44/38/90/816443890.db2.gz FVBDRGOJTOYXLO-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c12 ZINC001222434194 816443898 /nfs/dbraw/zinc/44/38/98/816443898.db2.gz FVBDRGOJTOYXLO-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436135 816445005 /nfs/dbraw/zinc/44/50/05/816445005.db2.gz VPPWGCRARMLMLH-SFHVURJKSA-N 2 2 272.436 3.275 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436135 816445013 /nfs/dbraw/zinc/44/50/13/816445013.db2.gz VPPWGCRARMLMLH-SFHVURJKSA-N 2 2 272.436 3.275 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222470248 816452881 /nfs/dbraw/zinc/45/28/81/816452881.db2.gz CCVNZWAXJOUCSW-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC001222470248 816452886 /nfs/dbraw/zinc/45/28/86/816452886.db2.gz CCVNZWAXJOUCSW-IBGZPJMESA-N 2 2 280.415 3.476 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001242992583 823201493 /nfs/dbraw/zinc/20/14/93/823201493.db2.gz QJJUQSWJBAJFSK-UHFFFAOYSA-N 2 2 263.344 3.463 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001231502657 818114577 /nfs/dbraw/zinc/11/45/77/818114577.db2.gz RXVMCDDXYQGXCA-AWEZNQCLSA-N 2 2 288.416 3.359 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001231502657 818114581 /nfs/dbraw/zinc/11/45/81/818114581.db2.gz RXVMCDDXYQGXCA-AWEZNQCLSA-N 2 2 288.416 3.359 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)nc1 ZINC001231646370 818145522 /nfs/dbraw/zinc/14/55/22/818145522.db2.gz FUKYGJDJVWICTD-KRWDZBQOSA-N 2 2 297.402 3.001 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)nc1 ZINC001231646370 818145524 /nfs/dbraw/zinc/14/55/24/818145524.db2.gz FUKYGJDJVWICTD-KRWDZBQOSA-N 2 2 297.402 3.001 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001231788033 818177147 /nfs/dbraw/zinc/17/71/47/818177147.db2.gz UHPUXHMVZRMQJD-UHFFFAOYSA-N 2 2 276.449 3.079 20 0 CGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCc3occc3C2)c1 ZINC001232149322 818263668 /nfs/dbraw/zinc/26/36/68/818263668.db2.gz MOPMOOLGQMRRCY-UHFFFAOYSA-N 2 2 288.366 3.039 20 0 CGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3occc3C2)c1 ZINC001232149322 818263674 /nfs/dbraw/zinc/26/36/74/818263674.db2.gz MOPMOOLGQMRRCY-UHFFFAOYSA-N 2 2 288.366 3.039 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc(C(C)(C)C)c1 ZINC001232216591 818280043 /nfs/dbraw/zinc/28/00/43/818280043.db2.gz TXUAWWQRVZNDBS-UHFFFAOYSA-N 2 2 289.467 3.297 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc(C(C)(C)C)c1 ZINC001232216591 818280050 /nfs/dbraw/zinc/28/00/50/818280050.db2.gz TXUAWWQRVZNDBS-UHFFFAOYSA-N 2 2 289.467 3.297 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001232621939 818401819 /nfs/dbraw/zinc/40/18/19/818401819.db2.gz NGOGEYRGYDWZBO-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640222 818408216 /nfs/dbraw/zinc/40/82/16/818408216.db2.gz JYRCERJCNRQGHP-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640222 818408220 /nfs/dbraw/zinc/40/82/20/818408220.db2.gz JYRCERJCNRQGHP-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640222 818408223 /nfs/dbraw/zinc/40/82/23/818408223.db2.gz JYRCERJCNRQGHP-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640222 818408227 /nfs/dbraw/zinc/40/82/27/818408227.db2.gz JYRCERJCNRQGHP-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001233250383 818553791 /nfs/dbraw/zinc/55/37/91/818553791.db2.gz ILZOFHONEHEDAQ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001233250383 818553796 /nfs/dbraw/zinc/55/37/96/818553796.db2.gz ILZOFHONEHEDAQ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001233250383 818553799 /nfs/dbraw/zinc/55/37/99/818553799.db2.gz ILZOFHONEHEDAQ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001233250383 818553804 /nfs/dbraw/zinc/55/38/04/818553804.db2.gz ILZOFHONEHEDAQ-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234033701 818761676 /nfs/dbraw/zinc/76/16/76/818761676.db2.gz VDLZZUFOMRRBAD-UHFFFAOYSA-N 2 2 285.391 3.255 20 0 CGADLP COc1cc(C[N@H+]2CCCC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234033701 818761678 /nfs/dbraw/zinc/76/16/78/818761678.db2.gz VDLZZUFOMRRBAD-UHFFFAOYSA-N 2 2 285.391 3.255 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997321 818972822 /nfs/dbraw/zinc/97/28/22/818972822.db2.gz AUUMGENLRBQMPN-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997321 818972828 /nfs/dbraw/zinc/97/28/28/818972828.db2.gz AUUMGENLRBQMPN-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc(F)c1F ZINC001235043880 818990481 /nfs/dbraw/zinc/99/04/81/818990481.db2.gz ILALEFAGGHQEFU-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc(F)c1F ZINC001235043880 818990484 /nfs/dbraw/zinc/99/04/84/818990484.db2.gz ILALEFAGGHQEFU-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235045745 818990914 /nfs/dbraw/zinc/99/09/14/818990914.db2.gz VENRRQOQLOQLBD-RBUKOAKNSA-N 2 2 278.399 3.290 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235045745 818990920 /nfs/dbraw/zinc/99/09/20/818990920.db2.gz VENRRQOQLOQLBD-RBUKOAKNSA-N 2 2 278.399 3.290 20 0 CGADLP CCCCOc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC001235106888 819004204 /nfs/dbraw/zinc/00/42/04/819004204.db2.gz STKXWFDADZJWCM-UHFFFAOYSA-N 2 2 288.435 3.193 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125028 819012178 /nfs/dbraw/zinc/01/21/78/819012178.db2.gz NAKQRRZUQRBVDP-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235125028 819012183 /nfs/dbraw/zinc/01/21/83/819012183.db2.gz NAKQRRZUQRBVDP-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Cc1sccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175452 819024006 /nfs/dbraw/zinc/02/40/06/819024006.db2.gz IWWXRWLLFXHLHQ-HNNXBMFYSA-N 2 2 264.438 3.165 20 0 CGADLP Cc1sccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235175452 819024010 /nfs/dbraw/zinc/02/40/10/819024010.db2.gz IWWXRWLLFXHLHQ-HNNXBMFYSA-N 2 2 264.438 3.165 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181146 819025782 /nfs/dbraw/zinc/02/57/82/819025782.db2.gz ZAUHTPCBHGKLEY-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235181146 819025790 /nfs/dbraw/zinc/02/57/90/819025790.db2.gz ZAUHTPCBHGKLEY-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235198322 819034204 /nfs/dbraw/zinc/03/42/04/819034204.db2.gz SGVYPICXXQWRKA-GUYCJALGSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1c2cccc1C[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235198322 819034207 /nfs/dbraw/zinc/03/42/07/819034207.db2.gz SGVYPICXXQWRKA-GUYCJALGSA-N 2 2 292.382 3.380 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Cl ZINC001235262943 819055508 /nfs/dbraw/zinc/05/55/08/819055508.db2.gz LXTLBHAQEFWNFX-HUUCEWRRSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Cl ZINC001235262943 819055512 /nfs/dbraw/zinc/05/55/12/819055512.db2.gz LXTLBHAQEFWNFX-HUUCEWRRSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400673 819085372 /nfs/dbraw/zinc/08/53/72/819085372.db2.gz FFEYEPQQWOSCOI-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400673 819085376 /nfs/dbraw/zinc/08/53/76/819085376.db2.gz FFEYEPQQWOSCOI-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1Cl ZINC001235409252 819087960 /nfs/dbraw/zinc/08/79/60/819087960.db2.gz VUBSFPRBEKYCTD-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1Cl ZINC001235409252 819087965 /nfs/dbraw/zinc/08/79/65/819087965.db2.gz VUBSFPRBEKYCTD-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235408582 819088668 /nfs/dbraw/zinc/08/86/68/819088668.db2.gz URFTVPDTGVIEDN-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235408582 819088670 /nfs/dbraw/zinc/08/86/70/819088670.db2.gz URFTVPDTGVIEDN-JKSUJKDBSA-N 2 2 296.817 3.172 20 0 CGADLP CCCCOc1cccc(C[NH+]2CCC([NH2+]CC)CC2)c1 ZINC001235725606 819153388 /nfs/dbraw/zinc/15/33/88/819153388.db2.gz KBEHDEHFGWWGHE-UHFFFAOYSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890655 819198913 /nfs/dbraw/zinc/19/89/13/819198913.db2.gz FRTXENKBXXMSKJ-SUMWQHHRSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890655 819198916 /nfs/dbraw/zinc/19/89/16/819198916.db2.gz FRTXENKBXXMSKJ-SUMWQHHRSA-N 2 2 258.409 3.266 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235901842 819212298 /nfs/dbraw/zinc/21/22/98/819212298.db2.gz FAILUZUZZRYJRU-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235901842 819212304 /nfs/dbraw/zinc/21/23/04/819212304.db2.gz FAILUZUZZRYJRU-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001235925244 819224937 /nfs/dbraw/zinc/22/49/37/819224937.db2.gz MMKSEECNBGGNSK-JTQLQIEISA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1C(F)(F)F ZINC001235925244 819224942 /nfs/dbraw/zinc/22/49/42/819224942.db2.gz MMKSEECNBGGNSK-JTQLQIEISA-N 2 2 290.304 3.158 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235935693 819232570 /nfs/dbraw/zinc/23/25/70/819232570.db2.gz DYTSHVHUPBEETO-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235935693 819232578 /nfs/dbraw/zinc/23/25/78/819232578.db2.gz DYTSHVHUPBEETO-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP COc1ccc2cc(C[N@H+](CC[NH3+])C(C)C)ccc2c1 ZINC001235947891 819236868 /nfs/dbraw/zinc/23/68/68/819236868.db2.gz HFGLTTHWCYJQLG-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP COc1ccc2cc(C[N@@H+](CC[NH3+])C(C)C)ccc2c1 ZINC001235947891 819236874 /nfs/dbraw/zinc/23/68/74/819236874.db2.gz HFGLTTHWCYJQLG-UHFFFAOYSA-N 2 2 272.392 3.018 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235998437 819267156 /nfs/dbraw/zinc/26/71/56/819267156.db2.gz YUYLFBQAMJFPLP-YOEHRIQHSA-N 2 2 299.443 3.042 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235998437 819267161 /nfs/dbraw/zinc/26/71/61/819267161.db2.gz YUYLFBQAMJFPLP-YOEHRIQHSA-N 2 2 299.443 3.042 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007528 819272453 /nfs/dbraw/zinc/27/24/53/819272453.db2.gz NXXOZPSUZWRAAS-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007528 819272447 /nfs/dbraw/zinc/27/24/47/819272447.db2.gz NXXOZPSUZWRAAS-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236007435 819272723 /nfs/dbraw/zinc/27/27/23/819272723.db2.gz MMDMCMBTBIZCCH-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@@H]1CCC[NH2+]C1 ZINC001236007435 819272727 /nfs/dbraw/zinc/27/27/27/819272727.db2.gz MMDMCMBTBIZCCH-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@H+](Cc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009575 819273519 /nfs/dbraw/zinc/27/35/19/819273519.db2.gz NKTKVPPZXRLDQD-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009575 819273524 /nfs/dbraw/zinc/27/35/24/819273524.db2.gz NKTKVPPZXRLDQD-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+](Cc1ccccc1-n1cccc1)[C@H]1CCC[NH2+]C1 ZINC001236010418 819274144 /nfs/dbraw/zinc/27/41/44/819274144.db2.gz RILXHHSBUGHSBO-KRWDZBQOSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@@H+](Cc1ccccc1-n1cccc1)[C@H]1CCC[NH2+]C1 ZINC001236010418 819274150 /nfs/dbraw/zinc/27/41/50/819274150.db2.gz RILXHHSBUGHSBO-KRWDZBQOSA-N 2 2 283.419 3.051 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1C(C)C ZINC001236094312 819312436 /nfs/dbraw/zinc/31/24/36/819312436.db2.gz AYMNHTYPGMVMRT-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1C(C)C ZINC001236094312 819312442 /nfs/dbraw/zinc/31/24/42/819312442.db2.gz AYMNHTYPGMVMRT-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236120773 819329225 /nfs/dbraw/zinc/32/92/25/819329225.db2.gz WYNSDOGCKAWJLP-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236120773 819329241 /nfs/dbraw/zinc/32/92/41/819329241.db2.gz WYNSDOGCKAWJLP-INIZCTEOSA-N 2 2 268.404 3.332 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236174956 819355586 /nfs/dbraw/zinc/35/55/86/819355586.db2.gz VHJGNJUQODZCMI-LJQANCHMSA-N 2 2 280.415 3.005 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001236174956 819355592 /nfs/dbraw/zinc/35/55/92/819355592.db2.gz VHJGNJUQODZCMI-LJQANCHMSA-N 2 2 280.415 3.005 20 0 CGADLP CCc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(CC)c1O ZINC001236207163 819370105 /nfs/dbraw/zinc/37/01/05/819370105.db2.gz OZVMEQKEWPJCRD-SFHVURJKSA-N 2 2 290.451 3.091 20 0 CGADLP CCc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc(CC)c1O ZINC001236207163 819370112 /nfs/dbraw/zinc/37/01/12/819370112.db2.gz OZVMEQKEWPJCRD-SFHVURJKSA-N 2 2 290.451 3.091 20 0 CGADLP C[N@H+](Cc1cccc(C(F)F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207352 819370483 /nfs/dbraw/zinc/37/04/83/819370483.db2.gz NFLSALLMZYEMFY-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236207352 819370485 /nfs/dbraw/zinc/37/04/85/819370485.db2.gz NFLSALLMZYEMFY-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP CSc1cc(C)cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209748 819371924 /nfs/dbraw/zinc/37/19/24/819371924.db2.gz NRJSJTGEJREPCC-MRXNPFEDSA-N 2 2 278.465 3.291 20 0 CGADLP CSc1cc(C)cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209748 819371929 /nfs/dbraw/zinc/37/19/29/819371929.db2.gz NRJSJTGEJREPCC-MRXNPFEDSA-N 2 2 278.465 3.291 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213603 819376925 /nfs/dbraw/zinc/37/69/25/819376925.db2.gz CHMUVLUAHZYCGO-CVEARBPZSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213603 819376932 /nfs/dbraw/zinc/37/69/32/819376932.db2.gz CHMUVLUAHZYCGO-CVEARBPZSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1OC(C)C ZINC001236218854 819385931 /nfs/dbraw/zinc/38/59/31/819385931.db2.gz UIFPADOQXFLPCU-SJORKVTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1OC(C)C ZINC001236218854 819385936 /nfs/dbraw/zinc/38/59/36/819385936.db2.gz UIFPADOQXFLPCU-SJORKVTESA-N 2 2 290.451 3.484 20 0 CGADLP CC[C@H](C)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236391938 819447655 /nfs/dbraw/zinc/44/76/55/819447655.db2.gz IQJZHRNWAHMJJQ-WMLDXEAASA-N 2 2 278.415 3.426 20 0 CGADLP CC[C@H](C)C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236391938 819447657 /nfs/dbraw/zinc/44/76/57/819447657.db2.gz IQJZHRNWAHMJJQ-WMLDXEAASA-N 2 2 278.415 3.426 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236416968 819462409 /nfs/dbraw/zinc/46/24/09/819462409.db2.gz BITRTJOIQYOKQB-RISCZKNCSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236416968 819462413 /nfs/dbraw/zinc/46/24/13/819462413.db2.gz BITRTJOIQYOKQB-RISCZKNCSA-N 2 2 286.341 3.325 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236422524 819469332 /nfs/dbraw/zinc/46/93/32/819469332.db2.gz XRISTCOTZGQGRK-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236422524 819469335 /nfs/dbraw/zinc/46/93/35/819469335.db2.gz XRISTCOTZGQGRK-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236422528 819469728 /nfs/dbraw/zinc/46/97/28/819469728.db2.gz XRISTCOTZGQGRK-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236422528 819469731 /nfs/dbraw/zinc/46/97/31/819469731.db2.gz XRISTCOTZGQGRK-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP [NH3+]CC[N@H+](CCCc1ccccc1F)Cc1ccccc1 ZINC001236522921 819515129 /nfs/dbraw/zinc/51/51/29/819515129.db2.gz YIEAJGVKLGSKFC-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP [NH3+]CC[N@@H+](CCCc1ccccc1F)Cc1ccccc1 ZINC001236522921 819515134 /nfs/dbraw/zinc/51/51/34/819515134.db2.gz YIEAJGVKLGSKFC-UHFFFAOYSA-N 2 2 286.394 3.219 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236525396 819517389 /nfs/dbraw/zinc/51/73/89/819517389.db2.gz CCYOHQYAFMLUQU-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236525396 819517393 /nfs/dbraw/zinc/51/73/93/819517393.db2.gz CCYOHQYAFMLUQU-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1nc2cc(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)ccc2s1 ZINC001236528876 819520305 /nfs/dbraw/zinc/52/03/05/819520305.db2.gz LDAIUYLROGVUJU-AWEZNQCLSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2cc(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)ccc2s1 ZINC001236528876 819520310 /nfs/dbraw/zinc/52/03/10/819520310.db2.gz LDAIUYLROGVUJU-AWEZNQCLSA-N 2 2 289.448 3.177 20 0 CGADLP c1cc2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c2o1 ZINC001236744033 819589814 /nfs/dbraw/zinc/58/98/14/819589814.db2.gz WQOXRSQLQYXDHY-UHFFFAOYSA-N 2 2 270.376 3.103 20 0 CGADLP CCOc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237155566 819682767 /nfs/dbraw/zinc/68/27/67/819682767.db2.gz SGNPEZDGRWZHNG-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237155566 819682772 /nfs/dbraw/zinc/68/27/72/819682772.db2.gz SGNPEZDGRWZHNG-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1C ZINC001237165257 819686323 /nfs/dbraw/zinc/68/63/23/819686323.db2.gz GFDSNMQHWDIGCI-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1C ZINC001237165257 819686325 /nfs/dbraw/zinc/68/63/25/819686325.db2.gz GFDSNMQHWDIGCI-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001237203931 819697925 /nfs/dbraw/zinc/69/79/25/819697925.db2.gz ODUKFGBKDMPWSG-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccccc2)c1 ZINC001237203931 819697928 /nfs/dbraw/zinc/69/79/28/819697928.db2.gz ODUKFGBKDMPWSG-KDOFPFPSSA-N 2 2 266.388 3.275 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383946 819737829 /nfs/dbraw/zinc/73/78/29/819737829.db2.gz TUOCWJVCKKWELJ-CABCVRRESA-N 2 2 280.362 3.198 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383946 819737834 /nfs/dbraw/zinc/73/78/34/819737834.db2.gz TUOCWJVCKKWELJ-CABCVRRESA-N 2 2 280.362 3.198 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@H]2C1 ZINC001237732485 819824936 /nfs/dbraw/zinc/82/49/36/819824936.db2.gz MCQPGGUTFBXJEZ-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243657803 823476561 /nfs/dbraw/zinc/47/65/61/823476561.db2.gz XHEDDKNAGKQXDQ-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3c(F)cccc3F)cc2)C1 ZINC001239575952 820425693 /nfs/dbraw/zinc/42/56/93/820425693.db2.gz TUJCFDDKAVWBDB-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)cc2)C1 ZINC001239575952 820425696 /nfs/dbraw/zinc/42/56/96/820425696.db2.gz TUJCFDDKAVWBDB-CQSZACIVSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1 ZINC001239585703 820434541 /nfs/dbraw/zinc/43/45/41/820434541.db2.gz ISYLILHNKZYQDM-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)c(F)c3)cc2)C1 ZINC001239585703 820434544 /nfs/dbraw/zinc/43/45/44/820434544.db2.gz ISYLILHNKZYQDM-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(F)ccc3F)cc2)C1 ZINC001239713572 820541203 /nfs/dbraw/zinc/54/12/03/820541203.db2.gz YGXMNZALWIBOIT-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(F)ccc3F)cc2)C1 ZINC001239713572 820541210 /nfs/dbraw/zinc/54/12/10/820541210.db2.gz YGXMNZALWIBOIT-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP CCc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001239743890 820565827 /nfs/dbraw/zinc/56/58/27/820565827.db2.gz IALHUDVPBKPUNO-UHFFFAOYSA-N 2 2 277.371 3.251 20 0 CGADLP c1cn2ccc(-c3ccc(C[NH+]4CCC4)cc3)cc2[nH+]1 ZINC001240512761 821107836 /nfs/dbraw/zinc/10/78/36/821107836.db2.gz ZJSHPQSJBAXUSI-UHFFFAOYSA-N 2 2 263.344 3.207 20 0 CGADLP COc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001240864529 821379614 /nfs/dbraw/zinc/37/96/14/821379614.db2.gz YVILQRMZSYFCSE-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1C ZINC001240865310 821380521 /nfs/dbraw/zinc/38/05/21/821380521.db2.gz MNMHZPKNRQUURA-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1C ZINC001240865310 821380529 /nfs/dbraw/zinc/38/05/29/821380529.db2.gz MNMHZPKNRQUURA-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001240865048 821380651 /nfs/dbraw/zinc/38/06/51/821380651.db2.gz KGKRLKCLVKXCAT-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC001240865048 821380657 /nfs/dbraw/zinc/38/06/57/821380657.db2.gz KGKRLKCLVKXCAT-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2cc[nH+]c(N)c2)cc1C[NH+]1CCCCC1 ZINC001241175991 821618765 /nfs/dbraw/zinc/61/87/65/821618765.db2.gz QGEQXGRIFXXTRQ-UHFFFAOYSA-N 2 2 297.402 3.325 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241281781 821701369 /nfs/dbraw/zinc/70/13/69/821701369.db2.gz ICMJWGJAZAMUJI-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001241281781 821701370 /nfs/dbraw/zinc/70/13/70/821701370.db2.gz ICMJWGJAZAMUJI-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP CCOC(=[NH2+])c1ccc(-c2c[nH+]c(N)cc2C)cc1 ZINC001242096232 822350721 /nfs/dbraw/zinc/35/07/21/822350721.db2.gz ZVEHFASDSLQXQS-UHFFFAOYSA-N 2 2 255.321 3.001 20 0 CGADLP Cc1c(-c2ccc(OCC[NH+](C)C)cc2)ccc2[nH+]ccn21 ZINC001242153385 822896723 /nfs/dbraw/zinc/89/67/23/822896723.db2.gz VCPSOSBFUDMEBY-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cncc(C3CC3)c2)C1 ZINC001242198064 822908203 /nfs/dbraw/zinc/90/82/03/822908203.db2.gz PWDONYBJEKABHQ-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cncc(C3CC3)c2)C1 ZINC001242198064 822908205 /nfs/dbraw/zinc/90/82/05/822908205.db2.gz PWDONYBJEKABHQ-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP C[C@@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC001345469554 936811616 /nfs/dbraw/zinc/81/16/16/936811616.db2.gz HWXSSOAVDTVORB-PBHICJAKSA-N 2 2 299.418 3.004 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001351380893 937016196 /nfs/dbraw/zinc/01/61/96/937016196.db2.gz AVZSBCNOGUTRRA-AWEZNQCLSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001351380893 937016199 /nfs/dbraw/zinc/01/61/99/937016199.db2.gz AVZSBCNOGUTRRA-AWEZNQCLSA-N 2 2 275.440 3.111 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC001353583385 937070595 /nfs/dbraw/zinc/07/05/95/937070595.db2.gz FYDVKXWVITYGGF-ZBFHGGJFSA-N 2 2 290.451 3.130 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399019625 926754582 /nfs/dbraw/zinc/75/45/82/926754582.db2.gz DPUGDHFNQPRIFW-UPJWGTAASA-N 2 2 252.427 3.319 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1Cl ZINC001560972069 937239010 /nfs/dbraw/zinc/23/90/10/937239010.db2.gz BXMJCDVXAWIXOG-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972069 937239012 /nfs/dbraw/zinc/23/90/12/937239012.db2.gz BXMJCDVXAWIXOG-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972069 937239014 /nfs/dbraw/zinc/23/90/14/937239014.db2.gz BXMJCDVXAWIXOG-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972069 937239016 /nfs/dbraw/zinc/23/90/16/937239016.db2.gz BXMJCDVXAWIXOG-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H](C)C1 ZINC001319382032 928463975 /nfs/dbraw/zinc/46/39/75/928463975.db2.gz CQXZTVXZUWBAHP-FZMZJTMJSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)[C@@H](C)C1 ZINC001319382032 928463982 /nfs/dbraw/zinc/46/39/82/928463982.db2.gz CQXZTVXZUWBAHP-FZMZJTMJSA-N 2 2 284.806 3.299 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647770 937538435 /nfs/dbraw/zinc/53/84/35/937538435.db2.gz AYSAZFOEUFDKAC-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647770 937538438 /nfs/dbraw/zinc/53/84/38/937538438.db2.gz AYSAZFOEUFDKAC-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647770 937538440 /nfs/dbraw/zinc/53/84/40/937538440.db2.gz AYSAZFOEUFDKAC-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001460647770 937538442 /nfs/dbraw/zinc/53/84/42/937538442.db2.gz AYSAZFOEUFDKAC-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001461708233 937593345 /nfs/dbraw/zinc/59/33/45/937593345.db2.gz PSATZZGAXVWFRI-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001461708233 937593347 /nfs/dbraw/zinc/59/33/47/937593347.db2.gz PSATZZGAXVWFRI-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001231084133 932676301 /nfs/dbraw/zinc/67/63/01/932676301.db2.gz XMWMKTDBLFJUMC-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001231084133 932676305 /nfs/dbraw/zinc/67/63/05/932676305.db2.gz XMWMKTDBLFJUMC-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC001462224145 937626307 /nfs/dbraw/zinc/62/63/07/937626307.db2.gz RALIUWXHRJWLJR-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC001462224145 937626309 /nfs/dbraw/zinc/62/63/09/937626309.db2.gz RALIUWXHRJWLJR-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)C1CC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001462430160 937640846 /nfs/dbraw/zinc/64/08/46/937640846.db2.gz SCXCTCNWWNZGEG-QQFBHYJXSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1cc(F)cc2c1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC001307715971 932990938 /nfs/dbraw/zinc/99/09/38/932990938.db2.gz PQSIOQHBSSZRAC-UHFFFAOYSA-N 2 2 290.426 3.368 20 0 CGADLP Cc1cc(F)cc2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC001307715971 932990941 /nfs/dbraw/zinc/99/09/41/932990941.db2.gz PQSIOQHBSSZRAC-UHFFFAOYSA-N 2 2 290.426 3.368 20 0 CGADLP Cc1cccnc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033647 933037349 /nfs/dbraw/zinc/03/73/49/933037349.db2.gz NPXGYYSFYXAUHS-SFHVURJKSA-N 2 2 292.386 3.118 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCC[NH+]1CCC1 ZINC001308358435 933100599 /nfs/dbraw/zinc/10/05/99/933100599.db2.gz CRWOUAYFERJFGC-UHFFFAOYSA-N 2 2 264.413 3.071 20 0 CGADLP CCNc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001308559047 933132842 /nfs/dbraw/zinc/13/28/42/933132842.db2.gz AOLJRXVXRPYNMA-HNNXBMFYSA-N 2 2 284.407 3.221 20 0 CGADLP CCNc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001308559047 933132843 /nfs/dbraw/zinc/13/28/43/933132843.db2.gz AOLJRXVXRPYNMA-HNNXBMFYSA-N 2 2 284.407 3.221 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001308773421 933173772 /nfs/dbraw/zinc/17/37/72/933173772.db2.gz JSZAYOKKLMLAIL-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001308773421 933173778 /nfs/dbraw/zinc/17/37/78/933173778.db2.gz JSZAYOKKLMLAIL-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308974557 933217593 /nfs/dbraw/zinc/21/75/93/933217593.db2.gz IXNIJMURCLCVLT-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308974557 933217599 /nfs/dbraw/zinc/21/75/99/933217599.db2.gz IXNIJMURCLCVLT-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC001325320999 934903203 /nfs/dbraw/zinc/90/32/03/934903203.db2.gz RYPMNNRNXMGCSZ-SECBINFHSA-N 2 2 292.757 3.029 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689353 937817626 /nfs/dbraw/zinc/81/76/26/937817626.db2.gz GFLODCRTAMHZKB-COXVUDFISA-N 2 2 276.399 3.160 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C)c1 ZINC001328321973 935129792 /nfs/dbraw/zinc/12/97/92/935129792.db2.gz HEBISMWEAAPZPW-UHFFFAOYSA-N 2 2 292.342 3.136 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CC2(CCC2)C1 ZINC001328563914 935147914 /nfs/dbraw/zinc/14/79/14/935147914.db2.gz VRKKBNBFTIOTDQ-UHFFFAOYSA-N 2 2 296.374 3.095 20 0 CGADLP CSC(C)(C)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001330626190 935305430 /nfs/dbraw/zinc/30/54/30/935305430.db2.gz ZCEXLSDBGAAUIJ-CQSZACIVSA-N 2 2 295.496 3.206 20 0 CGADLP CSC(C)(C)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001330626190 935305436 /nfs/dbraw/zinc/30/54/36/935305436.db2.gz ZCEXLSDBGAAUIJ-CQSZACIVSA-N 2 2 295.496 3.206 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001334054673 936082561 /nfs/dbraw/zinc/08/25/61/936082561.db2.gz ISBNXVXVBBGPFX-ZMSDIMECSA-N 2 2 294.389 3.370 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001334054673 936082565 /nfs/dbraw/zinc/08/25/65/936082565.db2.gz ISBNXVXVBBGPFX-ZMSDIMECSA-N 2 2 294.389 3.370 20 0 CGADLP [NH3+]Cc1nccnc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001336443126 936194267 /nfs/dbraw/zinc/19/42/67/936194267.db2.gz AOFXOYSDKWDIOY-UHFFFAOYSA-N 2 2 297.406 3.059 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317519 937850780 /nfs/dbraw/zinc/85/07/80/937850780.db2.gz LWLIEYPZJLBYEO-OLZOCXBDSA-N 2 2 285.382 3.188 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317519 937850782 /nfs/dbraw/zinc/85/07/82/937850782.db2.gz LWLIEYPZJLBYEO-OLZOCXBDSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317519 937850784 /nfs/dbraw/zinc/85/07/84/937850784.db2.gz LWLIEYPZJLBYEO-OLZOCXBDSA-N 2 2 285.382 3.188 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C(F)F)C[C@H]1C ZINC001474317519 937850786 /nfs/dbraw/zinc/85/07/86/937850786.db2.gz LWLIEYPZJLBYEO-OLZOCXBDSA-N 2 2 285.382 3.188 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCC1 ZINC001474450016 937860509 /nfs/dbraw/zinc/86/05/09/937860509.db2.gz DXLUXVIWNCGDAB-ZIAGYGMSSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001474495517 937863237 /nfs/dbraw/zinc/86/32/37/937863237.db2.gz IJPDHXRSBXCONE-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001474495517 937863238 /nfs/dbraw/zinc/86/32/38/937863238.db2.gz IJPDHXRSBXCONE-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP CCSc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001474729538 937877684 /nfs/dbraw/zinc/87/76/84/937877684.db2.gz HHJVLRBZYYIGBZ-WBVHZDCISA-N 2 2 290.476 3.182 20 0 CGADLP CCSc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001474729538 937877685 /nfs/dbraw/zinc/87/76/85/937877685.db2.gz HHJVLRBZYYIGBZ-WBVHZDCISA-N 2 2 290.476 3.182 20 0 CGADLP CCSc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001474729538 937877686 /nfs/dbraw/zinc/87/76/86/937877686.db2.gz HHJVLRBZYYIGBZ-WBVHZDCISA-N 2 2 290.476 3.182 20 0 CGADLP CCSc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001474729538 937877687 /nfs/dbraw/zinc/87/76/87/937877687.db2.gz HHJVLRBZYYIGBZ-WBVHZDCISA-N 2 2 290.476 3.182 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037168 938154522 /nfs/dbraw/zinc/15/45/22/938154522.db2.gz POJIUYKXXFZAAT-CVEARBPZSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037168 938154523 /nfs/dbraw/zinc/15/45/23/938154523.db2.gz POJIUYKXXFZAAT-CVEARBPZSA-N 2 2 290.407 3.122 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001550621428 938168913 /nfs/dbraw/zinc/16/89/13/938168913.db2.gz JLSYPZYORPLZFW-IRXDYDNUSA-N 2 2 295.430 3.330 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001550621428 938168914 /nfs/dbraw/zinc/16/89/14/938168914.db2.gz JLSYPZYORPLZFW-IRXDYDNUSA-N 2 2 295.430 3.330 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(CC)CCOCC1 ZINC001560326728 938253042 /nfs/dbraw/zinc/25/30/42/938253042.db2.gz JCDNUFKVOWXXCV-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(CC)CCOCC1 ZINC001560326728 938253044 /nfs/dbraw/zinc/25/30/44/938253044.db2.gz JCDNUFKVOWXXCV-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CSc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC001560330011 938253522 /nfs/dbraw/zinc/25/35/22/938253522.db2.gz AJPTWIKOULVRMS-ZDUSSCGKSA-N 2 2 284.469 3.458 20 0 CGADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CCC1 ZINC001560442954 938258287 /nfs/dbraw/zinc/25/82/87/938258287.db2.gz HCRIOEAUBPCMFQ-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)C(C[NH2+]c1ccc(OCC[NH3+])cc1)C(C)C ZINC001575436338 962381348 /nfs/dbraw/zinc/38/13/48/962381348.db2.gz ZONMUTXFFKPPNS-UHFFFAOYSA-N 2 2 264.413 3.364 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C[C@@H](C)C1 ZINC001576590138 962476771 /nfs/dbraw/zinc/47/67/71/962476771.db2.gz YZUFVCGZSUTBES-HMDCTGQHSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C[C@@H](C)C1 ZINC001576590138 962476778 /nfs/dbraw/zinc/47/67/78/962476778.db2.gz YZUFVCGZSUTBES-HMDCTGQHSA-N 2 2 264.457 3.275 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC ZINC001577396826 962536387 /nfs/dbraw/zinc/53/63/87/962536387.db2.gz FZLRVCYCRWABIX-CQSZACIVSA-N 2 2 284.831 3.346 20 0 CGADLP CC[NH2+]C1CC[NH+](CCO[C@H](CC)c2ccccc2)CC1 ZINC001577821373 962563611 /nfs/dbraw/zinc/56/36/11/962563611.db2.gz LMNKIGDALYKVKA-GOSISDBHSA-N 2 2 290.451 3.228 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC001578220423 962571260 /nfs/dbraw/zinc/57/12/60/962571260.db2.gz HFZBHPBFLTUUPX-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC001578220423 962571269 /nfs/dbraw/zinc/57/12/69/962571269.db2.gz HFZBHPBFLTUUPX-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC001578193919 962571475 /nfs/dbraw/zinc/57/14/75/962571475.db2.gz BJXQRKKGXUOQLV-SWLSCSKDSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC001578193919 962571490 /nfs/dbraw/zinc/57/14/90/962571490.db2.gz BJXQRKKGXUOQLV-SWLSCSKDSA-N 2 2 296.842 3.298 20 0 CGADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]([NH3+])CCOC)o1 ZINC001578255563 962588977 /nfs/dbraw/zinc/58/89/77/962588977.db2.gz UGHSTOBXHMVRDL-HOCLYGCPSA-N 2 2 294.439 3.123 20 0 CGADLP CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H]([NH3+])CCOC)o1 ZINC001578255563 962588986 /nfs/dbraw/zinc/58/89/86/962588986.db2.gz UGHSTOBXHMVRDL-HOCLYGCPSA-N 2 2 294.439 3.123 20 0 CGADLP CO[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC001578912393 962603449 /nfs/dbraw/zinc/60/34/49/962603449.db2.gz FNMPXYBBSQGEFV-UAXWRAGISA-N 2 2 296.842 3.004 20 0 CGADLP Clc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC001579938213 962677715 /nfs/dbraw/zinc/67/77/15/962677715.db2.gz CPDCKZXWAXFXPF-OAHLLOKOSA-N 2 2 278.827 3.103 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001580019376 962689128 /nfs/dbraw/zinc/68/91/28/962689128.db2.gz WUHUFAYNUYYZBO-ZDUSSCGKSA-N 2 2 278.362 3.327 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001580019376 962689134 /nfs/dbraw/zinc/68/91/34/962689134.db2.gz WUHUFAYNUYYZBO-ZDUSSCGKSA-N 2 2 278.362 3.327 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)nn1C ZINC000337388174 214046465 /nfs/dbraw/zinc/04/64/65/214046465.db2.gz JFMATARHLAOTCA-HNNXBMFYSA-N 2 2 292.471 3.034 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)nn1C ZINC000337388174 214046466 /nfs/dbraw/zinc/04/64/66/214046466.db2.gz JFMATARHLAOTCA-HNNXBMFYSA-N 2 2 292.471 3.034 20 0 CGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000337406717 214061480 /nfs/dbraw/zinc/06/14/80/214061480.db2.gz LYHODWGUVSAATD-INIZCTEOSA-N 2 2 275.371 3.399 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000352724681 282090706 /nfs/dbraw/zinc/09/07/06/282090706.db2.gz NIMCDCMYHBFSNI-LSDHHAIUSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000352724681 282090707 /nfs/dbraw/zinc/09/07/07/282090707.db2.gz NIMCDCMYHBFSNI-LSDHHAIUSA-N 2 2 269.392 3.407 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337446246 214087728 /nfs/dbraw/zinc/08/77/28/214087728.db2.gz GRSNERWALIWVPG-DGCLKSJQSA-N 2 2 278.362 3.181 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000621340135 349501397 /nfs/dbraw/zinc/50/13/97/349501397.db2.gz XUCPXURNPBCZEW-QWHCGFSZSA-N 2 2 278.465 3.415 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000621340135 349501399 /nfs/dbraw/zinc/50/13/99/349501399.db2.gz XUCPXURNPBCZEW-QWHCGFSZSA-N 2 2 278.465 3.415 20 0 CGADLP CC1CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000621384533 349515484 /nfs/dbraw/zinc/51/54/84/349515484.db2.gz KHAVERBLHVJGRQ-UHFFFAOYSA-N 2 2 261.394 3.070 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337458877 214095354 /nfs/dbraw/zinc/09/53/54/214095354.db2.gz JVLVEGJQOFTEIN-KBPBESRZSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337458877 214095357 /nfs/dbraw/zinc/09/53/57/214095357.db2.gz JVLVEGJQOFTEIN-KBPBESRZSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651693946 398270226 /nfs/dbraw/zinc/27/02/26/398270226.db2.gz JXKCPZIBGHWWGH-ZWNOBZJWSA-N 2 2 284.806 3.396 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000338026101 214367763 /nfs/dbraw/zinc/36/77/63/214367763.db2.gz ZTTKLUABEOIEIC-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000338026101 214367764 /nfs/dbraw/zinc/36/77/64/214367764.db2.gz ZTTKLUABEOIEIC-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423486591 529500973 /nfs/dbraw/zinc/50/09/73/529500973.db2.gz ZPKDNYAQZUNRNC-NEPJUHHUSA-N 2 2 260.381 3.383 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c[nH+]1 ZINC000591082553 346899983 /nfs/dbraw/zinc/89/99/83/346899983.db2.gz OXZZEXPJNSWETB-KRWDZBQOSA-N 2 2 269.392 3.153 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCc3ccccc3)C2)c[nH+]1 ZINC000591082553 346899986 /nfs/dbraw/zinc/89/99/86/346899986.db2.gz OXZZEXPJNSWETB-KRWDZBQOSA-N 2 2 269.392 3.153 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)CC1(C)C ZINC000623344955 349783749 /nfs/dbraw/zinc/78/37/49/349783749.db2.gz KIIAIJCBECAQPM-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)CC1(C)C ZINC000623344955 349783751 /nfs/dbraw/zinc/78/37/51/349783751.db2.gz KIIAIJCBECAQPM-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260725 529622641 /nfs/dbraw/zinc/62/26/41/529622641.db2.gz IGEBCGRCAHHCFK-CJNGLKHVSA-N 2 2 275.440 3.202 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423395418 295686165 /nfs/dbraw/zinc/68/61/65/295686165.db2.gz SUPHJRWZQRKHIS-SGMGOOAPSA-N 2 2 264.438 3.200 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000423497601 529617220 /nfs/dbraw/zinc/61/72/20/529617220.db2.gz HAHRQFQKTAVJFN-DDBAPUKQSA-N 2 2 272.436 3.417 20 0 CGADLP CCc1cnc(CC[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000428279064 529640345 /nfs/dbraw/zinc/64/03/45/529640345.db2.gz GWDCVGVMJNIPKC-UHFFFAOYSA-N 2 2 289.448 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1F ZINC000423363362 529673587 /nfs/dbraw/zinc/67/35/87/529673587.db2.gz NYXYCNMACIUVNN-ONERCXAPSA-N 2 2 268.351 3.004 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)CC1(C)C ZINC000623378834 349793859 /nfs/dbraw/zinc/79/38/59/349793859.db2.gz TYSYVRMTRPQEQJ-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)CC1(C)C ZINC000623378834 349793866 /nfs/dbraw/zinc/79/38/66/349793866.db2.gz TYSYVRMTRPQEQJ-HNNXBMFYSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338774506 214765055 /nfs/dbraw/zinc/76/50/55/214765055.db2.gz KCOIPIKVDAXHNS-DFXHGPDCSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338774506 214765056 /nfs/dbraw/zinc/76/50/56/214765056.db2.gz KCOIPIKVDAXHNS-DFXHGPDCSA-N 2 2 284.447 3.393 20 0 CGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405699 349800509 /nfs/dbraw/zinc/80/05/09/349800509.db2.gz VPUXHHFXYUWRCT-GOEBONIOSA-N 2 2 288.435 3.199 20 0 CGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405699 349800511 /nfs/dbraw/zinc/80/05/11/349800511.db2.gz VPUXHHFXYUWRCT-GOEBONIOSA-N 2 2 288.435 3.199 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC1(C)C ZINC000623425079 349804534 /nfs/dbraw/zinc/80/45/34/349804534.db2.gz QCNFDKCSAXOQBR-CYBMUJFWSA-N 2 2 276.399 3.277 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC1(C)C ZINC000623425079 349804541 /nfs/dbraw/zinc/80/45/41/349804541.db2.gz QCNFDKCSAXOQBR-CYBMUJFWSA-N 2 2 276.399 3.277 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426575 349805350 /nfs/dbraw/zinc/80/53/50/349805350.db2.gz RHKFREACPRELFT-NWDGAFQWSA-N 2 2 267.442 3.057 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426575 349805355 /nfs/dbraw/zinc/80/53/55/349805355.db2.gz RHKFREACPRELFT-NWDGAFQWSA-N 2 2 267.442 3.057 20 0 CGADLP CC(C)Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623587217 349841675 /nfs/dbraw/zinc/84/16/75/349841675.db2.gz HUUITNKWZDZYKL-UHFFFAOYSA-N 2 2 283.419 3.318 20 0 CGADLP CCC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000623597848 349844074 /nfs/dbraw/zinc/84/40/74/349844074.db2.gz GBTZCVBQNMSSQI-KRWDZBQOSA-N 2 2 287.407 3.167 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623853161 349896061 /nfs/dbraw/zinc/89/60/61/349896061.db2.gz OOSOJCDFTMGVJU-KBPBESRZSA-N 2 2 293.480 3.375 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623853161 349896066 /nfs/dbraw/zinc/89/60/66/349896066.db2.gz OOSOJCDFTMGVJU-KBPBESRZSA-N 2 2 293.480 3.375 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423225865 529978611 /nfs/dbraw/zinc/97/86/11/529978611.db2.gz ONVDKRGMWZMQIC-JTQLQIEISA-N 2 2 292.370 3.211 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423226262 529978995 /nfs/dbraw/zinc/97/89/95/529978995.db2.gz QBQIGIURBAQMMW-CYBMUJFWSA-N 2 2 274.330 3.212 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]ccc21)Cc1cccc2[nH+]ccn21 ZINC000426377290 529996322 /nfs/dbraw/zinc/99/63/22/529996322.db2.gz IBEWDFNKSKBMGS-UHFFFAOYSA-N 2 2 290.370 3.448 20 0 CGADLP C[N@H+](Cc1cccc2[nH]ccc21)Cc1cccc2[nH+]ccn21 ZINC000426377290 529996323 /nfs/dbraw/zinc/99/63/23/529996323.db2.gz IBEWDFNKSKBMGS-UHFFFAOYSA-N 2 2 290.370 3.448 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623928052 349919244 /nfs/dbraw/zinc/91/92/44/349919244.db2.gz BYCAPBQBSOIXAE-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623928052 349919247 /nfs/dbraw/zinc/91/92/47/349919247.db2.gz BYCAPBQBSOIXAE-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c[nH+]1 ZINC000016978452 344887023 /nfs/dbraw/zinc/88/70/23/344887023.db2.gz BKTSOYOHXRIFEB-UHFFFAOYSA-N 2 2 289.382 3.431 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c[nH+]1 ZINC000016978452 344887026 /nfs/dbraw/zinc/88/70/26/344887026.db2.gz BKTSOYOHXRIFEB-UHFFFAOYSA-N 2 2 289.382 3.431 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040671654 344964770 /nfs/dbraw/zinc/96/47/70/344964770.db2.gz GADHMDWDIBDQGJ-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040671654 344964774 /nfs/dbraw/zinc/96/47/74/344964774.db2.gz GADHMDWDIBDQGJ-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353300 345009508 /nfs/dbraw/zinc/00/95/08/345009508.db2.gz YSHNVUJTRHZRCY-UHFFFAOYSA-N 2 2 297.324 3.472 20 0 CGADLP C[C@H](C[NH2+]Cc1ccccc1OCC1CC1)Cn1cc[nH+]c1 ZINC000067500340 345322541 /nfs/dbraw/zinc/32/25/41/345322541.db2.gz GDPZUMJKNSDMIS-OAHLLOKOSA-N 2 2 299.418 3.098 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645005 219159308 /nfs/dbraw/zinc/15/93/08/219159308.db2.gz UJRBJWZDKGLZIP-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645005 219159310 /nfs/dbraw/zinc/15/93/10/219159310.db2.gz UJRBJWZDKGLZIP-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645005 219159311 /nfs/dbraw/zinc/15/93/11/219159311.db2.gz UJRBJWZDKGLZIP-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645005 219159313 /nfs/dbraw/zinc/15/93/13/219159313.db2.gz UJRBJWZDKGLZIP-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000155944635 232226620 /nfs/dbraw/zinc/22/66/20/232226620.db2.gz ZOLRCRGXBXWWCG-NVXWUHKLSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000155944635 232226622 /nfs/dbraw/zinc/22/66/22/232226622.db2.gz ZOLRCRGXBXWWCG-NVXWUHKLSA-N 2 2 284.403 3.075 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)[nH]1 ZINC000080959345 345691868 /nfs/dbraw/zinc/69/18/68/345691868.db2.gz WUULRYXHBDVCOB-GFCCVEGCSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)[nH]1 ZINC000080959345 345691871 /nfs/dbraw/zinc/69/18/71/345691871.db2.gz WUULRYXHBDVCOB-GFCCVEGCSA-N 2 2 298.415 3.399 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961584 345692827 /nfs/dbraw/zinc/69/28/27/345692827.db2.gz XNWPAEQZKXKDNA-OAHLLOKOSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961584 345692828 /nfs/dbraw/zinc/69/28/28/345692828.db2.gz XNWPAEQZKXKDNA-OAHLLOKOSA-N 2 2 255.365 3.098 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334424 345811083 /nfs/dbraw/zinc/81/10/83/345811083.db2.gz DWMSOSOKUSPIRR-SJLPKXTDSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334424 345811086 /nfs/dbraw/zinc/81/10/86/345811086.db2.gz DWMSOSOKUSPIRR-SJLPKXTDSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)c1cc(N2CCC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000090089500 345781986 /nfs/dbraw/zinc/78/19/86/345781986.db2.gz ROTIRVVQHGMHDQ-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP COc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)ccc1F ZINC000090846827 345796122 /nfs/dbraw/zinc/79/61/22/345796122.db2.gz IZUYWLPGLBFAMC-CYBMUJFWSA-N 2 2 288.366 3.431 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)[nH]1 ZINC000092073716 345830598 /nfs/dbraw/zinc/83/05/98/345830598.db2.gz VMDUWQAYFHTFKG-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)[nH]1 ZINC000092073716 345830601 /nfs/dbraw/zinc/83/06/01/345830601.db2.gz VMDUWQAYFHTFKG-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092195487 345831466 /nfs/dbraw/zinc/83/14/66/345831466.db2.gz KXJOYUXCDUKRMJ-LBPRGKRZSA-N 2 2 298.365 3.230 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190844 345872359 /nfs/dbraw/zinc/87/23/59/345872359.db2.gz YHELDQDFFDVDLY-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190844 345872360 /nfs/dbraw/zinc/87/23/60/345872360.db2.gz YHELDQDFFDVDLY-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190844 345872363 /nfs/dbraw/zinc/87/23/63/345872363.db2.gz YHELDQDFFDVDLY-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3Cl)CC[C@@H]21 ZINC000093190844 345872365 /nfs/dbraw/zinc/87/23/65/345872365.db2.gz YHELDQDFFDVDLY-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000093741881 345885279 /nfs/dbraw/zinc/88/52/79/345885279.db2.gz LZZKVLTZFJABAC-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000093741881 345885283 /nfs/dbraw/zinc/88/52/83/345885283.db2.gz LZZKVLTZFJABAC-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000093741881 345885287 /nfs/dbraw/zinc/88/52/87/345885287.db2.gz LZZKVLTZFJABAC-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000093741881 345885290 /nfs/dbraw/zinc/88/52/90/345885290.db2.gz LZZKVLTZFJABAC-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000093741882 345885644 /nfs/dbraw/zinc/88/56/44/345885644.db2.gz LZZKVLTZFJABAC-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)o2)C1 ZINC000093741882 345885648 /nfs/dbraw/zinc/88/56/48/345885648.db2.gz LZZKVLTZFJABAC-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000093741882 345885651 /nfs/dbraw/zinc/88/56/51/345885651.db2.gz LZZKVLTZFJABAC-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000093741882 345885655 /nfs/dbraw/zinc/88/56/55/345885655.db2.gz LZZKVLTZFJABAC-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP Cc1cccc(NC[C@H](c2cccc(F)c2)[NH+](C)C)[nH+]1 ZINC000127522969 187312970 /nfs/dbraw/zinc/31/29/70/187312970.db2.gz ODPLJPULFZNKQZ-OAHLLOKOSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)n1 ZINC000624007520 349943573 /nfs/dbraw/zinc/94/35/73/349943573.db2.gz XXNPKUGHRCEHNH-ZDUSSCGKSA-N 2 2 269.458 3.080 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n1 ZINC000624007520 349943576 /nfs/dbraw/zinc/94/35/76/349943576.db2.gz XXNPKUGHRCEHNH-ZDUSSCGKSA-N 2 2 269.458 3.080 20 0 CGADLP COC[C@H](C)C[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000187766283 346260712 /nfs/dbraw/zinc/26/07/12/346260712.db2.gz GTKNEMYCVPQWJK-SJLPKXTDSA-N 2 2 290.451 3.004 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCOCc3ccccc3)CC2)[nH]1 ZINC000273283175 192099422 /nfs/dbraw/zinc/09/94/22/192099422.db2.gz JIFAEVHTFMRVFB-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP c1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000316479757 346485087 /nfs/dbraw/zinc/48/50/87/346485087.db2.gz WRNMPMNKXFVIGJ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000316479757 346485088 /nfs/dbraw/zinc/48/50/88/346485088.db2.gz WRNMPMNKXFVIGJ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000320162974 346488574 /nfs/dbraw/zinc/48/85/74/346488574.db2.gz XLXMFLWOOSXFBF-CYBMUJFWSA-N 2 2 297.402 3.140 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000320162974 346488577 /nfs/dbraw/zinc/48/85/77/346488577.db2.gz XLXMFLWOOSXFBF-CYBMUJFWSA-N 2 2 297.402 3.140 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000383665879 346562782 /nfs/dbraw/zinc/56/27/82/346562782.db2.gz KRTUANWLLMHKPV-JTQLQIEISA-N 2 2 275.223 3.281 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)[nH+]c1 ZINC000400099909 346588957 /nfs/dbraw/zinc/58/89/57/346588957.db2.gz GYMNXDOGHQNJCC-OFLPRAFFSA-N 2 2 299.462 3.466 20 0 CGADLP Cc1ncccc1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405955172 346604058 /nfs/dbraw/zinc/60/40/58/346604058.db2.gz JTKFZJNZLWQXBA-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ncccc1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405955172 346604064 /nfs/dbraw/zinc/60/40/64/346604064.db2.gz JTKFZJNZLWQXBA-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000584584257 346685250 /nfs/dbraw/zinc/68/52/50/346685250.db2.gz JIYXUCZPMJOKBC-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000584584257 346685251 /nfs/dbraw/zinc/68/52/51/346685251.db2.gz JIYXUCZPMJOKBC-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000339402289 215147568 /nfs/dbraw/zinc/14/75/68/215147568.db2.gz IHOXXMMWKIMYGD-INIZCTEOSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(C3CCC3)cc1)CC2 ZINC000339402289 215147570 /nfs/dbraw/zinc/14/75/70/215147570.db2.gz IHOXXMMWKIMYGD-INIZCTEOSA-N 2 2 281.403 3.324 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C\c1ccccc1)CCC2 ZINC000607956995 348275794 /nfs/dbraw/zinc/27/57/94/348275794.db2.gz IUSFXVBPHAWFIH-VWTAQGJOSA-N 2 2 281.403 3.372 20 0 CGADLP c1cn([C@H]2CCCN(c3cc[nH+]c4ccsc43)C2)c[nH+]1 ZINC000608082871 348283037 /nfs/dbraw/zinc/28/30/37/348283037.db2.gz NYXOVMLOUDDDHQ-LBPRGKRZSA-N 2 2 284.388 3.334 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000608259724 348296454 /nfs/dbraw/zinc/29/64/54/348296454.db2.gz RVQGVQJHKQCMLC-FQEVSTJZSA-N 2 2 294.442 3.402 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000608259724 348296458 /nfs/dbraw/zinc/29/64/58/348296458.db2.gz RVQGVQJHKQCMLC-FQEVSTJZSA-N 2 2 294.442 3.402 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358014881 233038226 /nfs/dbraw/zinc/03/82/26/233038226.db2.gz DTGNNJFAKCWIKJ-SUNYJGFJSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358014881 233038229 /nfs/dbraw/zinc/03/82/29/233038229.db2.gz DTGNNJFAKCWIKJ-SUNYJGFJSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2F)n1-c1ccccc1 ZINC000339588493 215260211 /nfs/dbraw/zinc/26/02/11/215260211.db2.gz ZLOZZZATHOEYMV-HOTGVXAUSA-N 2 2 273.355 3.161 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213623 350141639 /nfs/dbraw/zinc/14/16/39/350141639.db2.gz MRKPPAHQVXMDNY-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625213623 350141643 /nfs/dbraw/zinc/14/16/43/350141643.db2.gz MRKPPAHQVXMDNY-GXTWGEPZSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881433 571891296 /nfs/dbraw/zinc/89/12/96/571891296.db2.gz BEMOJLMXYFAVBO-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881433 571891299 /nfs/dbraw/zinc/89/12/99/571891299.db2.gz BEMOJLMXYFAVBO-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1F ZINC000629527255 350703136 /nfs/dbraw/zinc/70/31/36/350703136.db2.gz PRQQSXORQOFGTR-QLFBSQMISA-N 2 2 250.361 3.007 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000629527770 350703149 /nfs/dbraw/zinc/70/31/49/350703149.db2.gz FKMVHGANXGQYEN-XHSDSOJGSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccsc32)C[NH2+]1 ZINC000629536480 350705885 /nfs/dbraw/zinc/70/58/85/350705885.db2.gz FCRAYIWBDBWQTR-OPDFLTKYSA-N 2 2 264.438 3.417 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000629539270 350706610 /nfs/dbraw/zinc/70/66/10/350706610.db2.gz NPWHSDTZVYUIRB-CKYFFXLPSA-N 2 2 270.779 3.270 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1F ZINC000629539732 350706762 /nfs/dbraw/zinc/70/67/62/350706762.db2.gz NOHYDXBARAJQQF-PVXIVEMSSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000629542280 350707382 /nfs/dbraw/zinc/70/73/82/350707382.db2.gz DAIDKBICHUGNBM-FFSVYQOJSA-N 2 2 282.378 3.392 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000629540640 350707476 /nfs/dbraw/zinc/70/74/76/350707476.db2.gz RPTVCQJSTGEJCF-MDZLAQPJSA-N 2 2 282.428 3.339 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000629545624 350709639 /nfs/dbraw/zinc/70/96/39/350709639.db2.gz NHOYHGOBDBZUPV-MWODSPESSA-N 2 2 273.207 3.394 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629548587 350710305 /nfs/dbraw/zinc/71/03/05/350710305.db2.gz QMYKEBBYKCAQFJ-OUJBWJOFSA-N 2 2 272.314 3.106 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546670 350710343 /nfs/dbraw/zinc/71/03/43/350710343.db2.gz WICBOGCUGFSHEU-IAOVAPTHSA-N 2 2 288.435 3.364 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(OC(F)F)cc1C ZINC000629411157 350690075 /nfs/dbraw/zinc/69/00/75/350690075.db2.gz IHJQEDPASAWUCI-TZMCWYRMSA-N 2 2 298.377 3.135 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C[NH2+]1 ZINC000629414424 350691001 /nfs/dbraw/zinc/69/10/01/350691001.db2.gz ONDQHHSVOGEEGK-YPMHNXCESA-N 2 2 289.810 3.118 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629516845 350699873 /nfs/dbraw/zinc/69/98/73/350699873.db2.gz SJXQMZZHNXDQMZ-BLLLJJGKSA-N 2 2 294.826 3.010 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000629518998 350700456 /nfs/dbraw/zinc/70/04/56/350700456.db2.gz AEEMPAXNGHXMKK-DOMZBBRYSA-N 2 2 276.449 3.344 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1C ZINC000629708856 350747868 /nfs/dbraw/zinc/74/78/68/350747868.db2.gz CKJRAGSAEWKZRW-UHFFFAOYSA-N 2 2 281.403 3.377 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629659810 350732279 /nfs/dbraw/zinc/73/22/79/350732279.db2.gz HVFZSSQVZYREKR-FZMZJTMJSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)c[nH+]c12 ZINC000631254473 351008064 /nfs/dbraw/zinc/00/80/64/351008064.db2.gz LFYSCBRPEFTAAZ-DLBZAZTESA-N 2 2 299.418 3.080 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@]34C[C@H]3CCCC4)c2)c[nH+]1 ZINC000631227524 350998583 /nfs/dbraw/zinc/99/85/83/350998583.db2.gz QYMCWHXRKYLZRU-IUODEOHRSA-N 2 2 273.405 3.356 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518979 213399186 /nfs/dbraw/zinc/39/91/86/213399186.db2.gz IZZGPDJVWDHTSP-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518979 213399189 /nfs/dbraw/zinc/39/91/89/213399189.db2.gz IZZGPDJVWDHTSP-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518979 213399191 /nfs/dbraw/zinc/39/91/91/213399191.db2.gz IZZGPDJVWDHTSP-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518979 213399193 /nfs/dbraw/zinc/39/91/93/213399193.db2.gz IZZGPDJVWDHTSP-YATRRXNKSA-N 2 2 292.373 3.006 20 0 CGADLP FC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000631284697 351015079 /nfs/dbraw/zinc/01/50/79/351015079.db2.gz RWWLFKWVRVLHML-PMPSAXMXSA-N 2 2 280.362 3.053 20 0 CGADLP FC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000631284697 351015083 /nfs/dbraw/zinc/01/50/83/351015083.db2.gz RWWLFKWVRVLHML-PMPSAXMXSA-N 2 2 280.362 3.053 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000631643098 351103039 /nfs/dbraw/zinc/10/30/39/351103039.db2.gz BZDYUNBCEYNJNO-SQNIBIBYSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000631643098 351103041 /nfs/dbraw/zinc/10/30/41/351103041.db2.gz BZDYUNBCEYNJNO-SQNIBIBYSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000631624885 351094340 /nfs/dbraw/zinc/09/43/40/351094340.db2.gz SFJDGCUJTSWHQU-JMLCCBQJSA-N 2 2 285.435 3.066 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834932 351149945 /nfs/dbraw/zinc/14/99/45/351149945.db2.gz IOKBTQKNUGAELS-MRXNPFEDSA-N 2 2 275.440 3.217 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834932 351149949 /nfs/dbraw/zinc/14/99/49/351149949.db2.gz IOKBTQKNUGAELS-MRXNPFEDSA-N 2 2 275.440 3.217 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887720 351152117 /nfs/dbraw/zinc/15/21/17/351152117.db2.gz QCRVBGLMIGEIDJ-NVXWUHKLSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887720 351152122 /nfs/dbraw/zinc/15/21/22/351152122.db2.gz QCRVBGLMIGEIDJ-NVXWUHKLSA-N 2 2 288.435 3.048 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000634678822 351564881 /nfs/dbraw/zinc/56/48/81/351564881.db2.gz DOZOVKHDIBQPFD-CYBMUJFWSA-N 2 2 287.407 3.043 20 0 CGADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992307 351619349 /nfs/dbraw/zinc/61/93/49/351619349.db2.gz LAAFLWFYNGHSOP-BEVRRMAYSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992307 351619354 /nfs/dbraw/zinc/61/93/54/351619354.db2.gz LAAFLWFYNGHSOP-BEVRRMAYSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cn[nH]c1 ZINC000271446894 191142166 /nfs/dbraw/zinc/14/21/66/191142166.db2.gz FTZWGINTCDPLQA-VKJFTORMSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cn[nH]c1 ZINC000271446894 191142168 /nfs/dbraw/zinc/14/21/68/191142168.db2.gz FTZWGINTCDPLQA-VKJFTORMSA-N 2 2 298.434 3.113 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000271557562 191210691 /nfs/dbraw/zinc/21/06/91/191210691.db2.gz WDTITCVPNICVLL-LBPRGKRZSA-N 2 2 275.783 3.332 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000365663072 234119850 /nfs/dbraw/zinc/11/98/50/234119850.db2.gz MBFHXWJWUIHBTC-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000365663072 234119853 /nfs/dbraw/zinc/11/98/53/234119853.db2.gz MBFHXWJWUIHBTC-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000368021310 234270596 /nfs/dbraw/zinc/27/05/96/234270596.db2.gz YOCHXVPDJMUKTJ-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000368021310 234270598 /nfs/dbraw/zinc/27/05/98/234270598.db2.gz YOCHXVPDJMUKTJ-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103751 234282735 /nfs/dbraw/zinc/28/27/35/234282735.db2.gz YJZVTBUQCZUGKE-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103751 234282738 /nfs/dbraw/zinc/28/27/38/234282738.db2.gz YJZVTBUQCZUGKE-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCC2 ZINC000368103668 234284258 /nfs/dbraw/zinc/28/42/58/234284258.db2.gz XUEXPHFQBVVKSL-LRDDRELGSA-N 2 2 281.403 3.107 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000368103668 234284262 /nfs/dbraw/zinc/28/42/62/234284262.db2.gz XUEXPHFQBVVKSL-LRDDRELGSA-N 2 2 281.403 3.107 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783822 188161279 /nfs/dbraw/zinc/16/12/79/188161279.db2.gz KOIWISCZRRZOSZ-CKEIUWERSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783822 188161280 /nfs/dbraw/zinc/16/12/80/188161280.db2.gz KOIWISCZRRZOSZ-CKEIUWERSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000156130702 188244230 /nfs/dbraw/zinc/24/42/30/188244230.db2.gz AXYHAVHBMNMKGH-CORIIIEPSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000156130702 188244231 /nfs/dbraw/zinc/24/42/31/188244231.db2.gz AXYHAVHBMNMKGH-CORIIIEPSA-N 2 2 294.439 3.435 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000155740395 188224587 /nfs/dbraw/zinc/22/45/87/188224587.db2.gz GVHCNTAEEKCALG-SNVBAGLBSA-N 2 2 269.801 3.339 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156415988 188261123 /nfs/dbraw/zinc/26/11/23/188261123.db2.gz OYPNMZYQFRLYOJ-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156415988 188261124 /nfs/dbraw/zinc/26/11/24/188261124.db2.gz OYPNMZYQFRLYOJ-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292702812 198381481 /nfs/dbraw/zinc/38/14/81/198381481.db2.gz CMJVOLJUPXCQND-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292702812 198381483 /nfs/dbraw/zinc/38/14/83/198381483.db2.gz CMJVOLJUPXCQND-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1[nH+]c2ccccc2c(N(C)Cc2[nH+]ccn2C)c1C ZINC000273013781 192018303 /nfs/dbraw/zinc/01/83/03/192018303.db2.gz JTBYBXSIABXYRY-UHFFFAOYSA-N 2 2 280.375 3.222 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964224 235504095 /nfs/dbraw/zinc/50/40/95/235504095.db2.gz YLMLDXYWGGVHHS-CXAGYDPISA-N 2 2 254.377 3.070 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2ccccc21)[N@H+](C)C1CC1 ZINC000105489309 138352651 /nfs/dbraw/zinc/35/26/51/138352651.db2.gz UWUPNVRQBLJBIJ-CQSZACIVSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2ccccc21)[N@@H+](C)C1CC1 ZINC000105489309 138352652 /nfs/dbraw/zinc/35/26/52/138352652.db2.gz UWUPNVRQBLJBIJ-CQSZACIVSA-N 2 2 268.404 3.412 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123526353 138367920 /nfs/dbraw/zinc/36/79/20/138367920.db2.gz HHAZPIDFRHYBJO-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123526353 138367921 /nfs/dbraw/zinc/36/79/21/138367921.db2.gz HHAZPIDFRHYBJO-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110117460 138362837 /nfs/dbraw/zinc/36/28/37/138362837.db2.gz IMIXIYYLEWJEMC-ZDUSSCGKSA-N 2 2 274.412 3.030 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110117460 138362838 /nfs/dbraw/zinc/36/28/38/138362838.db2.gz IMIXIYYLEWJEMC-ZDUSSCGKSA-N 2 2 274.412 3.030 20 0 CGADLP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000110212610 138362979 /nfs/dbraw/zinc/36/29/79/138362979.db2.gz IDZAMOIEIXYXTL-AWEZNQCLSA-N 2 2 288.439 3.278 20 0 CGADLP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000110212610 138362980 /nfs/dbraw/zinc/36/29/80/138362980.db2.gz IDZAMOIEIXYXTL-AWEZNQCLSA-N 2 2 288.439 3.278 20 0 CGADLP Clc1ccsc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000124324177 138374604 /nfs/dbraw/zinc/37/46/04/138374604.db2.gz VLXRGJNMODASOM-UHFFFAOYSA-N 2 2 272.845 3.367 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000124215860 138373504 /nfs/dbraw/zinc/37/35/04/138373504.db2.gz ZKXMHKDOJIWWBY-INIZCTEOSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000129920756 138398697 /nfs/dbraw/zinc/39/86/97/138398697.db2.gz QXQWZPXZODDJMO-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000129920756 138398698 /nfs/dbraw/zinc/39/86/98/138398698.db2.gz QXQWZPXZODDJMO-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc2cc1C ZINC000423229292 236003384 /nfs/dbraw/zinc/00/33/84/236003384.db2.gz AQHZLEQWBKRPDQ-DZGCQCFKSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000423234141 236004665 /nfs/dbraw/zinc/00/46/65/236004665.db2.gz LBEPLSFXQDBNPT-CXAGYDPISA-N 2 2 254.377 3.242 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cnn1C(C)C ZINC000423238772 236005099 /nfs/dbraw/zinc/00/50/99/236005099.db2.gz JHOOIIHNVJXETE-GUYCJALGSA-N 2 2 286.423 3.123 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423244086 236007597 /nfs/dbraw/zinc/00/75/97/236007597.db2.gz XJDFWUWOSHVKGO-HOCLYGCPSA-N 2 2 262.397 3.161 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000423252587 236010052 /nfs/dbraw/zinc/01/00/52/236010052.db2.gz XRTXUZFOHXNTNO-RTBURBONSA-N 2 2 280.415 3.297 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)c(C)c2c1 ZINC000423276183 236018463 /nfs/dbraw/zinc/01/84/63/236018463.db2.gz MOUBXRXVLUCUBX-NHYWBVRUSA-N 2 2 288.391 3.138 20 0 CGADLP [NH3+][C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)C1CC1 ZINC000423314088 236034557 /nfs/dbraw/zinc/03/45/57/236034557.db2.gz GMOWXDSYKKLAGI-KRWDZBQOSA-N 2 2 266.388 3.103 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423322581 236037730 /nfs/dbraw/zinc/03/77/30/236037730.db2.gz IWGWAMPHYHAUQK-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423322767 236038128 /nfs/dbraw/zinc/03/81/28/236038128.db2.gz GWWHUDCFZUFVCJ-MRXNPFEDSA-N 2 2 296.842 3.007 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@H]3C)oc2c1 ZINC000423358717 236049443 /nfs/dbraw/zinc/04/94/43/236049443.db2.gz JUVJVPWLLURRKE-VNHYZAJKSA-N 2 2 272.392 3.390 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc2ccccc21 ZINC000423363836 236050647 /nfs/dbraw/zinc/05/06/47/236050647.db2.gz NYZFBGXXGIHHHH-GLJUWKHASA-N 2 2 268.404 3.488 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423436714 236071599 /nfs/dbraw/zinc/07/15/99/236071599.db2.gz FRVMHVJREUEDLP-GUBZILKMSA-N 2 2 266.772 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000423554150 236098451 /nfs/dbraw/zinc/09/84/51/236098451.db2.gz LCRLNFCEXVKSHW-SMDDNHRTSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)c[nH+]c12 ZINC000424175075 236128307 /nfs/dbraw/zinc/12/83/07/236128307.db2.gz PVZFWEWPKDNUHF-HOCLYGCPSA-N 2 2 269.392 3.169 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000424330805 236151140 /nfs/dbraw/zinc/15/11/40/236151140.db2.gz ILWAIWGTPXYMAP-CHWSQXEVSA-N 2 2 273.207 3.353 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427850817 236349063 /nfs/dbraw/zinc/34/90/63/236349063.db2.gz BMSLDTOHEYYHFC-BZSNNMDCSA-N 2 2 295.430 3.432 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCC2)o1 ZINC000427872794 236351894 /nfs/dbraw/zinc/35/18/94/236351894.db2.gz DFJONGWISPSCHC-YOEHRIQHSA-N 2 2 285.391 3.230 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3CC34CCCC4)c2)c[nH+]1 ZINC000428552557 236421310 /nfs/dbraw/zinc/42/13/10/236421310.db2.gz VOXOSFKFMHEMSJ-CQSZACIVSA-N 2 2 273.405 3.356 20 0 CGADLP Cc1noc(C)c1C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000429846426 236522292 /nfs/dbraw/zinc/52/22/92/236522292.db2.gz OGFYFDUULHOBJL-ZDUSSCGKSA-N 2 2 287.407 3.148 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CC(C)(C)C1 ZINC000433281180 236796043 /nfs/dbraw/zinc/79/60/43/236796043.db2.gz HQQHPWGRIGOEDF-UHFFFAOYSA-N 2 2 271.408 3.284 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC1 ZINC000437073961 237243551 /nfs/dbraw/zinc/24/35/51/237243551.db2.gz FZGLXPKXEOAPNQ-IRXDYDNUSA-N 2 2 272.436 3.397 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000341758742 216091839 /nfs/dbraw/zinc/09/18/39/216091839.db2.gz CELMJQUHMIEYQY-QGZVFWFLSA-N 2 2 276.399 3.279 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000341798745 216110923 /nfs/dbraw/zinc/11/09/23/216110923.db2.gz JRHNDKZUODXLPS-HNNXBMFYSA-N 2 2 271.408 3.227 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824883 200288161 /nfs/dbraw/zinc/28/81/61/200288161.db2.gz ZDZKUWYDUQBMPP-DOTOQJQBSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824883 200288162 /nfs/dbraw/zinc/28/81/62/200288162.db2.gz ZDZKUWYDUQBMPP-DOTOQJQBSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839025 200290341 /nfs/dbraw/zinc/29/03/41/200290341.db2.gz NWDRZRCPRAGLLZ-CXAGYDPISA-N 2 2 299.418 3.344 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839025 200290343 /nfs/dbraw/zinc/29/03/43/200290343.db2.gz NWDRZRCPRAGLLZ-CXAGYDPISA-N 2 2 299.418 3.344 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CCCCC1 ZINC000177013679 189020469 /nfs/dbraw/zinc/02/04/69/189020469.db2.gz UASAXKWWVJECDC-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CCCCC1 ZINC000177013679 189020470 /nfs/dbraw/zinc/02/04/70/189020470.db2.gz UASAXKWWVJECDC-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000341902143 216146592 /nfs/dbraw/zinc/14/65/92/216146592.db2.gz UUKUUNHYWXHCLI-SJLPKXTDSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000341902143 216146594 /nfs/dbraw/zinc/14/65/94/216146594.db2.gz UUKUUNHYWXHCLI-SJLPKXTDSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000177911018 189079026 /nfs/dbraw/zinc/07/90/26/189079026.db2.gz HYYZBHGXWODOMT-SMDDNHRTSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000177911018 189079027 /nfs/dbraw/zinc/07/90/27/189079027.db2.gz HYYZBHGXWODOMT-SMDDNHRTSA-N 2 2 290.436 3.040 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177956140 189081821 /nfs/dbraw/zinc/08/18/21/189081821.db2.gz WEOJDFMUDJNDOY-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177956140 189081822 /nfs/dbraw/zinc/08/18/22/189081822.db2.gz WEOJDFMUDJNDOY-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342088005 216215899 /nfs/dbraw/zinc/21/58/99/216215899.db2.gz QKXNQJMWRLKFRJ-AEGPPILISA-N 2 2 293.480 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000342088005 216215901 /nfs/dbraw/zinc/21/59/01/216215901.db2.gz QKXNQJMWRLKFRJ-AEGPPILISA-N 2 2 293.480 3.045 20 0 CGADLP Clc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)cc1 ZINC000179469800 189195923 /nfs/dbraw/zinc/19/59/23/189195923.db2.gz MSTKJSSXMFGGOX-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP CCSCC[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180670765 189268910 /nfs/dbraw/zinc/26/89/10/189268910.db2.gz IEVPNQBGEYIWAE-CYBMUJFWSA-N 2 2 277.437 3.298 20 0 CGADLP CCSCC[C@@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180670765 189268911 /nfs/dbraw/zinc/26/89/11/189268911.db2.gz IEVPNQBGEYIWAE-CYBMUJFWSA-N 2 2 277.437 3.298 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(C(C)(C)C)n1 ZINC000181097735 189288638 /nfs/dbraw/zinc/28/86/38/189288638.db2.gz ADSOIWRQKVYTCL-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(C(C)(C)C)n1 ZINC000181097735 189288639 /nfs/dbraw/zinc/28/86/39/189288639.db2.gz ADSOIWRQKVYTCL-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000119648811 370694274 /nfs/dbraw/zinc/69/42/74/370694274.db2.gz JGWTXUWCFZQDNQ-SFHVURJKSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@H]1CC[N@H+](CCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713331 189332446 /nfs/dbraw/zinc/33/24/46/189332446.db2.gz LAYIMOHHKRCOAG-RDJZCZTQSA-N 2 2 297.402 3.039 20 0 CGADLP C[C@H]1CC[N@@H+](CCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713331 189332447 /nfs/dbraw/zinc/33/24/47/189332447.db2.gz LAYIMOHHKRCOAG-RDJZCZTQSA-N 2 2 297.402 3.039 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000182595154 189328921 /nfs/dbraw/zinc/32/89/21/189328921.db2.gz VVPRDRVDTNKPKN-VNQPRFMTSA-N 2 2 261.413 3.101 20 0 CGADLP Cc1ccccc1[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000182798195 189335100 /nfs/dbraw/zinc/33/51/00/189335100.db2.gz OHEAMDGRQHOXLW-SJLPKXTDSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1ccccc1[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000182798195 189335101 /nfs/dbraw/zinc/33/51/01/189335101.db2.gz OHEAMDGRQHOXLW-SJLPKXTDSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000301666284 201123349 /nfs/dbraw/zinc/12/33/49/201123349.db2.gz WTLBJAHWRRPIPJ-OAHLLOKOSA-N 2 2 259.397 3.066 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000301666284 201123352 /nfs/dbraw/zinc/12/33/52/201123352.db2.gz WTLBJAHWRRPIPJ-OAHLLOKOSA-N 2 2 259.397 3.066 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183165575 189348613 /nfs/dbraw/zinc/34/86/13/189348613.db2.gz DMSXVQHXHLJYFC-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183165575 189348614 /nfs/dbraw/zinc/34/86/14/189348614.db2.gz DMSXVQHXHLJYFC-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(OC)c1 ZINC000183165943 189348643 /nfs/dbraw/zinc/34/86/43/189348643.db2.gz VTKNEACNLPMKAS-HNNXBMFYSA-N 2 2 287.407 3.365 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(OC)c1 ZINC000183165943 189348644 /nfs/dbraw/zinc/34/86/44/189348644.db2.gz VTKNEACNLPMKAS-HNNXBMFYSA-N 2 2 287.407 3.365 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1 ZINC000342413826 216343171 /nfs/dbraw/zinc/34/31/71/216343171.db2.gz BSRNAOWMJWOUNK-HNNXBMFYSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1 ZINC000342413826 216343174 /nfs/dbraw/zinc/34/31/74/216343174.db2.gz BSRNAOWMJWOUNK-HNNXBMFYSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000361896554 291288254 /nfs/dbraw/zinc/28/82/54/291288254.db2.gz JYHIINVLFHEGIC-WTIISPKJSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000361896554 291288258 /nfs/dbraw/zinc/28/82/58/291288258.db2.gz JYHIINVLFHEGIC-WTIISPKJSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000449094910 239175912 /nfs/dbraw/zinc/17/59/12/239175912.db2.gz UXOFAOXKMMNLJN-MRXNPFEDSA-N 2 2 298.430 3.465 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000450631814 240009726 /nfs/dbraw/zinc/00/97/26/240009726.db2.gz HQZYKDSWWUPMPV-MRXNPFEDSA-N 2 2 273.424 3.175 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000450631814 240009730 /nfs/dbraw/zinc/00/97/30/240009730.db2.gz HQZYKDSWWUPMPV-MRXNPFEDSA-N 2 2 273.424 3.175 20 0 CGADLP Cc1[nH+]c2ccccn2c1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000451002202 240187967 /nfs/dbraw/zinc/18/79/67/240187967.db2.gz SEGMMUCLFLNUAI-QWHCGFSZSA-N 2 2 294.402 3.258 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1 ZINC000195632337 189682394 /nfs/dbraw/zinc/68/23/94/189682394.db2.gz ZOFRTKACLXZLDK-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(F)c(F)c1 ZINC000195632337 189682395 /nfs/dbraw/zinc/68/23/95/189682395.db2.gz ZOFRTKACLXZLDK-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000120887917 370809909 /nfs/dbraw/zinc/80/99/09/370809909.db2.gz VJSBCUSPLVYWRH-QRTARXTBSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000120887917 370809916 /nfs/dbraw/zinc/80/99/16/370809916.db2.gz VJSBCUSPLVYWRH-QRTARXTBSA-N 2 2 258.409 3.353 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516070 193063578 /nfs/dbraw/zinc/06/35/78/193063578.db2.gz DLGCJXJAZSZJKP-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516070 193063580 /nfs/dbraw/zinc/06/35/80/193063580.db2.gz DLGCJXJAZSZJKP-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1Cl ZINC000275516070 193063581 /nfs/dbraw/zinc/06/35/81/193063581.db2.gz DLGCJXJAZSZJKP-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000275516070 193063583 /nfs/dbraw/zinc/06/35/83/193063583.db2.gz DLGCJXJAZSZJKP-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595142 193083453 /nfs/dbraw/zinc/08/34/53/193083453.db2.gz KEXGJPDYYBMXQH-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595142 193083454 /nfs/dbraw/zinc/08/34/54/193083454.db2.gz KEXGJPDYYBMXQH-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1F ZINC000275595142 193083455 /nfs/dbraw/zinc/08/34/55/193083455.db2.gz KEXGJPDYYBMXQH-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000275595142 193083456 /nfs/dbraw/zinc/08/34/56/193083456.db2.gz KEXGJPDYYBMXQH-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595145 193082774 /nfs/dbraw/zinc/08/27/74/193082774.db2.gz KEXGJPDYYBMXQH-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595145 193082775 /nfs/dbraw/zinc/08/27/75/193082775.db2.gz KEXGJPDYYBMXQH-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1F ZINC000275595145 193082778 /nfs/dbraw/zinc/08/27/78/193082778.db2.gz KEXGJPDYYBMXQH-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000275595145 193082780 /nfs/dbraw/zinc/08/27/80/193082780.db2.gz KEXGJPDYYBMXQH-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP CCSCC[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000275825065 193139138 /nfs/dbraw/zinc/13/91/38/193139138.db2.gz RROIYWVMEPMWBH-UHFFFAOYSA-N 2 2 277.437 3.078 20 0 CGADLP C[C@@H]([NH2+]CCc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121003594 370822594 /nfs/dbraw/zinc/82/25/94/370822594.db2.gz ZYBXHNVPTQNVSU-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP Clc1cccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000459321197 242070015 /nfs/dbraw/zinc/07/00/15/242070015.db2.gz ZFUQJGWSLUZLDQ-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1 ZINC000459671311 242171494 /nfs/dbraw/zinc/17/14/94/242171494.db2.gz WKFIQVDHUFNIDI-LBPRGKRZSA-N 2 2 277.799 3.009 20 0 CGADLP CCCc1csc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000494343452 535447893 /nfs/dbraw/zinc/44/78/93/535447893.db2.gz ALFANQNZVDNEKM-UHFFFAOYSA-N 2 2 295.496 3.494 20 0 CGADLP C[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1[nH]cc[nH+]1 ZINC000375854017 296118656 /nfs/dbraw/zinc/11/86/56/296118656.db2.gz RNIRZQXVTSCHIL-OAHLLOKOSA-N 2 2 290.455 3.249 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)cc1 ZINC000479876745 243130758 /nfs/dbraw/zinc/13/07/58/243130758.db2.gz USKGLYXKSQABSG-KRWDZBQOSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000019929549 368786198 /nfs/dbraw/zinc/78/61/98/368786198.db2.gz RCQLRWOJCVULPM-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000019929549 368786202 /nfs/dbraw/zinc/78/62/02/368786202.db2.gz RCQLRWOJCVULPM-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000019943141 368787913 /nfs/dbraw/zinc/78/79/13/368787913.db2.gz DISYFMRECICEFT-GFCCVEGCSA-N 2 2 270.367 3.347 20 0 CGADLP Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000035230253 369000728 /nfs/dbraw/zinc/00/07/28/369000728.db2.gz VUOIFHCOKBMXLS-UHFFFAOYSA-N 2 2 277.371 3.471 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000036932226 369040302 /nfs/dbraw/zinc/04/03/02/369040302.db2.gz HQIQICNUOFOPIP-CQSZACIVSA-N 2 2 285.391 3.303 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000037117289 369063151 /nfs/dbraw/zinc/06/31/51/369063151.db2.gz QPMBOHKMYRQKAK-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000037117289 369063158 /nfs/dbraw/zinc/06/31/58/369063158.db2.gz QPMBOHKMYRQKAK-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000037157431 369072499 /nfs/dbraw/zinc/07/24/99/369072499.db2.gz JFTFEIRRCXBRGW-RYUDHWBXSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000037267122 369080562 /nfs/dbraw/zinc/08/05/62/369080562.db2.gz RICWAXDKZQNIRX-LLVKDONJSA-N 2 2 284.350 3.033 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC ZINC000037320175 369082114 /nfs/dbraw/zinc/08/21/14/369082114.db2.gz IRJVFIFDPYNJGX-DZGCQCFKSA-N 2 2 273.380 3.021 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037786547 369113038 /nfs/dbraw/zinc/11/30/38/369113038.db2.gz WPQJKRRJFJOFOB-UHFFFAOYSA-N 2 2 270.804 3.286 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786497 369113437 /nfs/dbraw/zinc/11/34/37/369113437.db2.gz XBRHLGVCMOLUGX-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP CCCOc1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1 ZINC000037996777 369136463 /nfs/dbraw/zinc/13/64/63/369136463.db2.gz SKXIIVADSVFXSO-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP c1cn(CCC[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000041075407 369171790 /nfs/dbraw/zinc/17/17/90/369171790.db2.gz FJKWNQXMNRZMHM-INIZCTEOSA-N 2 2 255.365 3.014 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685216 369265301 /nfs/dbraw/zinc/26/53/01/369265301.db2.gz HEVHDXNYOZULMU-GXTWGEPZSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685216 369265302 /nfs/dbraw/zinc/26/53/02/369265302.db2.gz HEVHDXNYOZULMU-GXTWGEPZSA-N 2 2 276.449 3.296 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494431999 244288420 /nfs/dbraw/zinc/28/84/20/244288420.db2.gz ABMLFRFTSBNWMK-MRXNPFEDSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045116747 369276891 /nfs/dbraw/zinc/27/68/91/369276891.db2.gz REMKYYVDBDUDJD-IUODEOHRSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666489 244308641 /nfs/dbraw/zinc/30/86/41/244308641.db2.gz PVKRMSLIIVJWPV-ZBEGNZNMSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666489 244308647 /nfs/dbraw/zinc/30/86/47/244308647.db2.gz PVKRMSLIIVJWPV-ZBEGNZNMSA-N 2 2 296.817 3.094 20 0 CGADLP C[NH+](C)CCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000045663897 369283969 /nfs/dbraw/zinc/28/39/69/369283969.db2.gz XBBBFWOZQIGXJK-UHFFFAOYSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000494880596 244326580 /nfs/dbraw/zinc/32/65/80/244326580.db2.gz STSWCAIVVNHANJ-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000053201403 369480800 /nfs/dbraw/zinc/48/08/00/369480800.db2.gz JGYRLENIMJRRJS-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000053201403 369480803 /nfs/dbraw/zinc/48/08/03/369480803.db2.gz JGYRLENIMJRRJS-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000054935668 369507863 /nfs/dbraw/zinc/50/78/63/369507863.db2.gz DFUDZEMJVIHDBM-MRXNPFEDSA-N 2 2 284.407 3.280 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000129379181 370984227 /nfs/dbraw/zinc/98/42/27/370984227.db2.gz POOFRAFXLBFCOG-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000129379181 370984232 /nfs/dbraw/zinc/98/42/32/370984232.db2.gz POOFRAFXLBFCOG-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP c1cn(CCC[NH2+]Cc2nc(-c3ccccc3)cs2)c[nH+]1 ZINC000061680813 369605897 /nfs/dbraw/zinc/60/58/97/369605897.db2.gz HVWATBLKIOSCRY-UHFFFAOYSA-N 2 2 298.415 3.187 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192068 369643680 /nfs/dbraw/zinc/64/36/80/369643680.db2.gz NYXGWFLCYDDQBR-PBHICJAKSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063192068 369643684 /nfs/dbraw/zinc/64/36/84/369643684.db2.gz NYXGWFLCYDDQBR-PBHICJAKSA-N 2 2 276.424 3.176 20 0 CGADLP CC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063313035 369645882 /nfs/dbraw/zinc/64/58/82/369645882.db2.gz DXNSMUPRIKRYAG-UHFFFAOYSA-N 2 2 295.386 3.331 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097927608 370257248 /nfs/dbraw/zinc/25/72/48/370257248.db2.gz KMKNPTBUSOURGL-OAHLLOKOSA-N 2 2 260.425 3.082 20 0 CGADLP C[N@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545456 370289771 /nfs/dbraw/zinc/28/97/71/370289771.db2.gz OBNCTNJZSRIBLJ-UHFFFAOYSA-N 2 2 283.297 3.257 20 0 CGADLP C[N@@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545456 370289773 /nfs/dbraw/zinc/28/97/73/370289773.db2.gz OBNCTNJZSRIBLJ-UHFFFAOYSA-N 2 2 283.297 3.257 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[NH+]1CCCCC1 ZINC000102420990 370304416 /nfs/dbraw/zinc/30/44/16/370304416.db2.gz DNINIZPLNWMJEX-PEZBUJJGSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794637 370366604 /nfs/dbraw/zinc/36/66/04/370366604.db2.gz HVCLISSCDBBIKH-NVXWUHKLSA-N 2 2 291.439 3.115 20 0 CGADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112198737 370413952 /nfs/dbraw/zinc/41/39/52/370413952.db2.gz SUYDCWZETDJWGN-UHFFFAOYSA-N 2 2 299.374 3.153 20 0 CGADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112198737 370413956 /nfs/dbraw/zinc/41/39/56/370413956.db2.gz SUYDCWZETDJWGN-UHFFFAOYSA-N 2 2 299.374 3.153 20 0 CGADLP c1[nH]c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000112338807 370420137 /nfs/dbraw/zinc/42/01/37/370420137.db2.gz PYUBISOKKIMHKG-SFHVURJKSA-N 2 2 277.371 3.483 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755193 370511198 /nfs/dbraw/zinc/51/11/98/370511198.db2.gz QUARRSZTCDLTEE-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755193 370511203 /nfs/dbraw/zinc/51/12/03/370511203.db2.gz QUARRSZTCDLTEE-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000118998400 370635423 /nfs/dbraw/zinc/63/54/23/370635423.db2.gz BWMYDEHJEWILTG-YJBOKZPZSA-N 2 2 290.451 3.002 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000129596709 370995215 /nfs/dbraw/zinc/99/52/15/370995215.db2.gz SKKGXWLVCQXZDS-GFCCVEGCSA-N 2 2 284.856 3.463 20 0 CGADLP CCSCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132263833 371162248 /nfs/dbraw/zinc/16/22/48/371162248.db2.gz WBYYOCCFSQOAAB-CQSZACIVSA-N 2 2 293.480 3.172 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000133135086 371230489 /nfs/dbraw/zinc/23/04/89/371230489.db2.gz VWWPUFVANXQTQT-UHFFFAOYSA-N 2 2 266.772 3.128 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133973330 371292583 /nfs/dbraw/zinc/29/25/83/371292583.db2.gz JUZPHMZHRTYEEI-RDJZCZTQSA-N 2 2 283.419 3.459 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C[N@@H+]1C1CC1 ZINC000286536741 371515274 /nfs/dbraw/zinc/51/52/74/371515274.db2.gz OALYMPAKXWTHJS-IUODEOHRSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C[N@H+]1C1CC1 ZINC000286536741 371515279 /nfs/dbraw/zinc/51/52/79/371515279.db2.gz OALYMPAKXWTHJS-IUODEOHRSA-N 2 2 270.376 3.148 20 0 CGADLP COc1ccc(C)[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000150990196 371555382 /nfs/dbraw/zinc/55/53/82/371555382.db2.gz YEYKCLKPRVBRPT-UHFFFAOYSA-N 2 2 294.358 3.196 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000151108031 371569508 /nfs/dbraw/zinc/56/95/08/371569508.db2.gz YAUKRKBVOJJVEY-CQSZACIVSA-N 2 2 291.395 3.239 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151134192 371573711 /nfs/dbraw/zinc/57/37/11/371573711.db2.gz WPUNUELGQBGFIB-QGZVFWFLSA-N 2 2 289.398 3.269 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1cccnc1 ZINC000287293891 371637459 /nfs/dbraw/zinc/63/74/59/371637459.db2.gz KGLDSNFNSNPYBO-FRQCXROJSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1cccnc1 ZINC000287293891 371637462 /nfs/dbraw/zinc/63/74/62/371637462.db2.gz KGLDSNFNSNPYBO-FRQCXROJSA-N 2 2 295.430 3.395 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)c(F)c1 ZINC000421826442 371649344 /nfs/dbraw/zinc/64/93/44/371649344.db2.gz SJVPCOHFIITXRM-GUYCJALGSA-N 2 2 294.414 3.215 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)c(F)c1 ZINC000421826442 371649347 /nfs/dbraw/zinc/64/93/47/371649347.db2.gz SJVPCOHFIITXRM-GUYCJALGSA-N 2 2 294.414 3.215 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000287391857 371649515 /nfs/dbraw/zinc/64/95/15/371649515.db2.gz QFGGFMJHHJASNY-RHSMWYFYSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000287391857 371649524 /nfs/dbraw/zinc/64/95/24/371649524.db2.gz QFGGFMJHHJASNY-RHSMWYFYSA-N 2 2 290.476 3.135 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000151911202 371651456 /nfs/dbraw/zinc/65/14/56/371651456.db2.gz UMVSPFFDUYADOR-LBPRGKRZSA-N 2 2 286.366 3.199 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000152767804 371722488 /nfs/dbraw/zinc/72/24/88/371722488.db2.gz UDHKFEQMRADXIX-LBPRGKRZSA-N 2 2 275.421 3.174 20 0 CGADLP CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152235073 371684138 /nfs/dbraw/zinc/68/41/38/371684138.db2.gz LOARYFOUTLFACS-DOTOQJQBSA-N 2 2 275.440 3.072 20 0 CGADLP CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152235073 371684142 /nfs/dbraw/zinc/68/41/42/371684142.db2.gz LOARYFOUTLFACS-DOTOQJQBSA-N 2 2 275.440 3.072 20 0 CGADLP CCOc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422738663 371778189 /nfs/dbraw/zinc/77/81/89/371778189.db2.gz JSGLNSWGGWBDEV-MAUKXSAKSA-N 2 2 298.430 3.133 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC000289653370 371784671 /nfs/dbraw/zinc/78/46/71/371784671.db2.gz DXLIYOUQFJDAHA-ZDUSSCGKSA-N 2 2 291.345 3.349 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337330618 214011082 /nfs/dbraw/zinc/01/10/82/214011082.db2.gz GVFQTMBSXHHCIB-KBAYOESNSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337330618 214011084 /nfs/dbraw/zinc/01/10/84/214011084.db2.gz GVFQTMBSXHHCIB-KBAYOESNSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337330616 214011502 /nfs/dbraw/zinc/01/15/02/214011502.db2.gz GVFQTMBSXHHCIB-BPQIPLTHSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337330616 214011504 /nfs/dbraw/zinc/01/15/04/214011504.db2.gz GVFQTMBSXHHCIB-BPQIPLTHSA-N 2 2 287.451 3.182 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000289724078 371802451 /nfs/dbraw/zinc/80/24/51/371802451.db2.gz OOUSYWNLNVSWOH-GOSISDBHSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000289740088 371805814 /nfs/dbraw/zinc/80/58/14/371805814.db2.gz MAXPUPDQNWOMJD-HNNXBMFYSA-N 2 2 299.418 3.430 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422798044 371815705 /nfs/dbraw/zinc/81/57/05/371815705.db2.gz PMIGSBJEIKIRQN-STQMWFEESA-N 2 2 284.350 3.038 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000289777444 371818935 /nfs/dbraw/zinc/81/89/35/371818935.db2.gz RDZAKQILILYWLG-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])co2)cc1 ZINC000422812135 371824927 /nfs/dbraw/zinc/82/49/27/371824927.db2.gz PZLYYFGATQLQGD-DLBZAZTESA-N 2 2 299.418 3.400 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869881 371846920 /nfs/dbraw/zinc/84/69/20/371846920.db2.gz AWYYRLYVEGXVDF-RKVPGOIHSA-N 2 2 287.451 3.078 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422914624 371865463 /nfs/dbraw/zinc/86/54/63/371865463.db2.gz VFBCCZUFUNGWRE-PBHICJAKSA-N 2 2 288.435 3.238 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](OC)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422920739 371870091 /nfs/dbraw/zinc/87/00/91/371870091.db2.gz NOFRLGUUDJMIDA-HRCADAONSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)[C@H]1CCC[NH2+]1 ZINC000422943227 371882726 /nfs/dbraw/zinc/88/27/26/371882726.db2.gz XSNBXHIWAZCOPB-VCTAVGKDSA-N 2 2 264.800 3.057 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423058643 371939474 /nfs/dbraw/zinc/93/94/74/371939474.db2.gz JWZXCWWKTMMANT-WBVHZDCISA-N 2 2 289.467 3.151 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423058641 371939721 /nfs/dbraw/zinc/93/97/21/371939721.db2.gz JWZXCWWKTMMANT-NVXWUHKLSA-N 2 2 289.467 3.151 20 0 CGADLP CC[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000422959533 371893673 /nfs/dbraw/zinc/89/36/73/371893673.db2.gz SNKXIWSWOYOEDQ-CVEARBPZSA-N 2 2 288.439 3.014 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cncc(F)c1 ZINC000423034702 371927003 /nfs/dbraw/zinc/92/70/03/371927003.db2.gz QIOJWAYFCBZLGV-AMKSKSKJSA-N 2 2 271.339 3.016 20 0 CGADLP COCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccco1 ZINC000423050207 371933115 /nfs/dbraw/zinc/93/31/15/371933115.db2.gz YJKXMPYNCODZAR-JYJNAYRXSA-N 2 2 286.375 3.092 20 0 CGADLP CCC[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000156087894 371959859 /nfs/dbraw/zinc/95/98/59/371959859.db2.gz FWIVEYRKNIUBPF-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000156087894 371959862 /nfs/dbraw/zinc/95/98/62/371959862.db2.gz FWIVEYRKNIUBPF-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423110801 371973242 /nfs/dbraw/zinc/97/32/42/371973242.db2.gz VFKDCYHAVROUFV-SNVBAGLBSA-N 2 2 291.395 3.206 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2sccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423122907 371977310 /nfs/dbraw/zinc/97/73/10/371977310.db2.gz LNFDQEJQXNQNBS-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C ZINC000423169055 372000063 /nfs/dbraw/zinc/00/00/63/372000063.db2.gz ISGXHGOVHFIIOG-HKUYNNGSSA-N 2 2 295.430 3.281 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423090525 371956155 /nfs/dbraw/zinc/95/61/55/371956155.db2.gz XWDJZRVFOQIGDG-MLGOLLRUSA-N 2 2 288.366 3.173 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423190364 372016767 /nfs/dbraw/zinc/01/67/67/372016767.db2.gz NTRALFSXFYSLIO-GXTWGEPZSA-N 2 2 282.815 3.141 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423190366 372016944 /nfs/dbraw/zinc/01/69/44/372016944.db2.gz NTRALFSXFYSLIO-OCCSQVGLSA-N 2 2 282.815 3.141 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423196047 372020573 /nfs/dbraw/zinc/02/05/73/372020573.db2.gz UOCHMEQJFFPRPP-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(-c2ccccc2)c1 ZINC000423206255 372030552 /nfs/dbraw/zinc/03/05/52/372030552.db2.gz QFROCNGMDFAGSX-KBXCAEBGSA-N 2 2 266.388 3.366 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423211189 372031614 /nfs/dbraw/zinc/03/16/14/372031614.db2.gz IFUQHNVCDJKPFM-TZMCWYRMSA-N 2 2 272.417 3.428 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260727 372044025 /nfs/dbraw/zinc/04/40/25/372044025.db2.gz IGEBCGRCAHHCFK-XJKSGUPXSA-N 2 2 275.440 3.202 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423326742 372051361 /nfs/dbraw/zinc/05/13/61/372051361.db2.gz QYPREXJFHLRAFS-QWHCGFSZSA-N 2 2 285.218 3.308 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@@H]1C ZINC000423361034 372056112 /nfs/dbraw/zinc/05/61/12/372056112.db2.gz GLHBLGVOWMRULC-PRJDTLLGSA-N 2 2 294.389 3.044 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423362158 372056665 /nfs/dbraw/zinc/05/66/65/372056665.db2.gz MUSIBFQDRWUUES-DQYPLSBCSA-N 2 2 288.435 3.005 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000157099527 372006913 /nfs/dbraw/zinc/00/69/13/372006913.db2.gz VJJAFVPYJLOYPU-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000157099527 372006918 /nfs/dbraw/zinc/00/69/18/372006918.db2.gz VJJAFVPYJLOYPU-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672487 541867657 /nfs/dbraw/zinc/86/76/57/541867657.db2.gz JQAHFTZECPZOMZ-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672487 541867661 /nfs/dbraw/zinc/86/76/61/541867661.db2.gz JQAHFTZECPZOMZ-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291143235 372125820 /nfs/dbraw/zinc/12/58/20/372125820.db2.gz HVGDGOPXQAXDHP-GOSISDBHSA-N 2 2 282.387 3.305 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551197 372230218 /nfs/dbraw/zinc/23/02/18/372230218.db2.gz JZRQOWBVUSSPFL-WWGRRREGSA-N 2 2 296.842 3.037 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551197 372230224 /nfs/dbraw/zinc/23/02/24/372230224.db2.gz JZRQOWBVUSSPFL-WWGRRREGSA-N 2 2 296.842 3.037 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)c2)c[nH+]1 ZINC000428452533 372204398 /nfs/dbraw/zinc/20/43/98/372204398.db2.gz LUDARZDQZGVYAS-SWLSCSKDSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@@H]4CCC[C@H]43)c2)c[nH+]1 ZINC000428452533 372204406 /nfs/dbraw/zinc/20/44/06/372204406.db2.gz LUDARZDQZGVYAS-SWLSCSKDSA-N 2 2 273.405 3.308 20 0 CGADLP CCOC1(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCC1 ZINC000293097465 372298214 /nfs/dbraw/zinc/29/82/14/372298214.db2.gz XOJUCXFFTKVKKY-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP CCc1ccc([C@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000292954095 372259899 /nfs/dbraw/zinc/25/98/99/372259899.db2.gz ATPWRPDWACJNDB-SFHVURJKSA-N 2 2 283.419 3.243 20 0 CGADLP CCc1ccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000292954095 372259912 /nfs/dbraw/zinc/25/99/12/372259912.db2.gz ATPWRPDWACJNDB-SFHVURJKSA-N 2 2 283.419 3.243 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293036725 372284420 /nfs/dbraw/zinc/28/44/20/372284420.db2.gz RYGAPFFDAOIQPW-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293036725 372284425 /nfs/dbraw/zinc/28/44/25/372284425.db2.gz RYGAPFFDAOIQPW-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293036725 372284428 /nfs/dbraw/zinc/28/44/28/372284428.db2.gz RYGAPFFDAOIQPW-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293036725 372284434 /nfs/dbraw/zinc/28/44/34/372284434.db2.gz RYGAPFFDAOIQPW-KDOFPFPSSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@@H+]1C ZINC000344327162 217151868 /nfs/dbraw/zinc/15/18/68/217151868.db2.gz JQXHXNXTUMZVOK-CRAIPNDOSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@H+]1C ZINC000344327162 217151870 /nfs/dbraw/zinc/15/18/70/217151870.db2.gz JQXHXNXTUMZVOK-CRAIPNDOSA-N 2 2 295.430 3.321 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293562502 372411779 /nfs/dbraw/zinc/41/17/79/372411779.db2.gz MGGFVXMWTBEPNL-QWHCGFSZSA-N 2 2 282.815 3.008 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1sccc1Cl ZINC000163619090 372483402 /nfs/dbraw/zinc/48/34/02/372483402.db2.gz CJKVLLYLBDAKSD-UHFFFAOYSA-N 2 2 260.834 3.223 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000293710589 372457561 /nfs/dbraw/zinc/45/75/61/372457561.db2.gz LYLWHABKNGOZCB-CYBMUJFWSA-N 2 2 255.365 3.111 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000163344859 372461779 /nfs/dbraw/zinc/46/17/79/372461779.db2.gz HVOADZHGFBOMAJ-AEFFLSMTSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000163344859 372461782 /nfs/dbraw/zinc/46/17/82/372461782.db2.gz HVOADZHGFBOMAJ-AEFFLSMTSA-N 2 2 290.451 3.065 20 0 CGADLP CC1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000163389313 372465574 /nfs/dbraw/zinc/46/55/74/372465574.db2.gz VIOVAVWGLQIHGO-ARWYELJZSA-N 2 2 258.409 3.039 20 0 CGADLP CC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000163389313 372465580 /nfs/dbraw/zinc/46/55/80/372465580.db2.gz VIOVAVWGLQIHGO-ARWYELJZSA-N 2 2 258.409 3.039 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000163421769 372469548 /nfs/dbraw/zinc/46/95/48/372469548.db2.gz XILSZYFKFHGWIG-XJKSGUPXSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000163421769 372469553 /nfs/dbraw/zinc/46/95/53/372469553.db2.gz XILSZYFKFHGWIG-XJKSGUPXSA-N 2 2 296.842 3.101 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163804337 372493173 /nfs/dbraw/zinc/49/31/73/372493173.db2.gz WYYFPJIUMUNFTI-QGZVFWFLSA-N 2 2 297.402 3.169 20 0 CGADLP CC[NH+]1CCC(Nc2ccc(C3CCC3)c[nH+]2)CC1 ZINC000294044156 372563818 /nfs/dbraw/zinc/56/38/18/372563818.db2.gz PCJPLRAQKKGOLO-UHFFFAOYSA-N 2 2 259.397 3.245 20 0 CGADLP CCSCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000167298184 372594157 /nfs/dbraw/zinc/59/41/57/372594157.db2.gz YMJIBQSGRRJFSV-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CCSCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000167298184 372594162 /nfs/dbraw/zinc/59/41/62/372594162.db2.gz YMJIBQSGRRJFSV-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP COCCCCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592122 217242232 /nfs/dbraw/zinc/24/22/32/217242232.db2.gz LGUTUKLEYSZLGL-IXDOHACOSA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592122 217242236 /nfs/dbraw/zinc/24/22/36/217242236.db2.gz LGUTUKLEYSZLGL-IXDOHACOSA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592122 217242238 /nfs/dbraw/zinc/24/22/38/217242238.db2.gz LGUTUKLEYSZLGL-IXDOHACOSA-N 2 2 282.472 3.140 20 0 CGADLP COCCCCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344592122 217242240 /nfs/dbraw/zinc/24/22/40/217242240.db2.gz LGUTUKLEYSZLGL-IXDOHACOSA-N 2 2 282.472 3.140 20 0 CGADLP CC[C@H](C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171950272 372866505 /nfs/dbraw/zinc/86/65/05/372866505.db2.gz HOBHEGAWSDDNBO-AWEZNQCLSA-N 2 2 257.381 3.350 20 0 CGADLP CC[C@H](C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171950272 372866515 /nfs/dbraw/zinc/86/65/15/372866515.db2.gz HOBHEGAWSDDNBO-AWEZNQCLSA-N 2 2 257.381 3.350 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344727034 217289791 /nfs/dbraw/zinc/28/97/91/217289791.db2.gz CRDVCTSRKYOBRA-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344727034 217289792 /nfs/dbraw/zinc/28/97/92/217289792.db2.gz CRDVCTSRKYOBRA-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353508696 220126348 /nfs/dbraw/zinc/12/63/48/220126348.db2.gz WBNJGKKSHIMUGF-KRWDZBQOSA-N 2 2 293.430 3.382 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC000296056918 373008936 /nfs/dbraw/zinc/00/89/36/373008936.db2.gz VPMIQXGNVPAWQN-ODWCKFRGSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC000296056918 373008943 /nfs/dbraw/zinc/00/89/43/373008943.db2.gz VPMIQXGNVPAWQN-ODWCKFRGSA-N 2 2 280.362 3.241 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000539039760 288599393 /nfs/dbraw/zinc/59/93/93/288599393.db2.gz OXNHBMCVFRCSFO-ZFWWWQNUSA-N 2 2 257.381 3.045 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(F)cc1 ZINC000353542835 220148158 /nfs/dbraw/zinc/14/81/58/220148158.db2.gz MICWZAOSYIEPLD-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(F)cc1 ZINC000353542835 220148160 /nfs/dbraw/zinc/14/81/60/220148160.db2.gz MICWZAOSYIEPLD-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccc(F)cc1)Cc1ccco1 ZINC000353542835 220148165 /nfs/dbraw/zinc/14/81/65/220148165.db2.gz MICWZAOSYIEPLD-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccc(F)cc1)Cc1ccco1 ZINC000353542835 220148169 /nfs/dbraw/zinc/14/81/69/220148169.db2.gz MICWZAOSYIEPLD-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000442775915 373078180 /nfs/dbraw/zinc/07/81/80/373078180.db2.gz GTQGIUNFAIYURN-CQSZACIVSA-N 2 2 293.370 3.429 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000173352042 373131491 /nfs/dbraw/zinc/13/14/91/373131491.db2.gz LJNUKTODHYMUSA-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000173352042 373131494 /nfs/dbraw/zinc/13/14/94/373131494.db2.gz LJNUKTODHYMUSA-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000296584193 373185182 /nfs/dbraw/zinc/18/51/82/373185182.db2.gz XAJCILAZFQHRSA-ZDUSSCGKSA-N 2 2 272.396 3.182 20 0 CGADLP COc1cc(C)[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c1 ZINC000298062446 373290266 /nfs/dbraw/zinc/29/02/66/373290266.db2.gz GJSXEZFVIPSOMH-RYUDHWBXSA-N 2 2 285.391 3.014 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000446851129 373371297 /nfs/dbraw/zinc/37/12/97/373371297.db2.gz AUSHXNVIODMPRH-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000446851129 373371304 /nfs/dbraw/zinc/37/13/04/373371304.db2.gz AUSHXNVIODMPRH-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447590483 373459407 /nfs/dbraw/zinc/45/94/07/373459407.db2.gz CVDBKFNVNWCJFB-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447590483 373459413 /nfs/dbraw/zinc/45/94/13/373459413.db2.gz CVDBKFNVNWCJFB-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447595883 373461406 /nfs/dbraw/zinc/46/14/06/373461406.db2.gz AZVQBCZDWOQLSY-KBXCAEBGSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447595883 373461412 /nfs/dbraw/zinc/46/14/12/373461412.db2.gz AZVQBCZDWOQLSY-KBXCAEBGSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640385 220211885 /nfs/dbraw/zinc/21/18/85/220211885.db2.gz GKHKLRFKHZSQPP-UPJWGTAASA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640385 220211888 /nfs/dbraw/zinc/21/18/88/220211888.db2.gz GKHKLRFKHZSQPP-UPJWGTAASA-N 2 2 261.413 3.071 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000448024951 373538707 /nfs/dbraw/zinc/53/87/07/373538707.db2.gz BGBZGIXRVYGKFQ-NRXISQOPSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000448024951 373538711 /nfs/dbraw/zinc/53/87/11/373538711.db2.gz BGBZGIXRVYGKFQ-NRXISQOPSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000177948798 373729743 /nfs/dbraw/zinc/72/97/43/373729743.db2.gz QDDBPYICWRUGTM-LALPHHSUSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000177948798 373729756 /nfs/dbraw/zinc/72/97/56/373729756.db2.gz QDDBPYICWRUGTM-LALPHHSUSA-N 2 2 294.826 3.236 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000178258243 373757224 /nfs/dbraw/zinc/75/72/24/373757224.db2.gz SPBXLUTVSWHZEC-CYBMUJFWSA-N 2 2 276.424 3.367 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178327976 373766553 /nfs/dbraw/zinc/76/65/53/373766553.db2.gz VKSMPGGWVBWOBN-LSDHHAIUSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178327976 373766557 /nfs/dbraw/zinc/76/65/57/373766557.db2.gz VKSMPGGWVBWOBN-LSDHHAIUSA-N 2 2 296.480 3.064 20 0 CGADLP CC(C)c1cc(N2CC[NH+](C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000301821618 373807435 /nfs/dbraw/zinc/80/74/35/373807435.db2.gz MHOWTWINTBUGQD-UHFFFAOYSA-N 2 2 288.439 3.008 20 0 CGADLP Cc1cc(C)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000449736578 373863223 /nfs/dbraw/zinc/86/32/23/373863223.db2.gz WAILKRMIHQIAJD-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP Clc1ccc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000302764424 373956084 /nfs/dbraw/zinc/95/60/84/373956084.db2.gz LBHIPRUMMOHGEZ-UHFFFAOYSA-N 2 2 287.794 3.173 20 0 CGADLP CC(C)c1nc(NC[C@@H]2CCC[N@@H+]2C)cc(C(C)(C)C)[nH+]1 ZINC000302871648 373990410 /nfs/dbraw/zinc/99/04/10/373990410.db2.gz BSKZMFKRLAAXEY-ZDUSSCGKSA-N 2 2 290.455 3.404 20 0 CGADLP CC(C)c1nc(NC[C@@H]2CCC[N@H+]2C)cc(C(C)(C)C)[nH+]1 ZINC000302871648 373990416 /nfs/dbraw/zinc/99/04/16/373990416.db2.gz BSKZMFKRLAAXEY-ZDUSSCGKSA-N 2 2 290.455 3.404 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087420 374217485 /nfs/dbraw/zinc/21/74/85/374217485.db2.gz CJRBLAOZVGFMDT-LSDHHAIUSA-N 2 2 263.429 3.111 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182087420 374217494 /nfs/dbraw/zinc/21/74/94/374217494.db2.gz CJRBLAOZVGFMDT-LSDHHAIUSA-N 2 2 263.429 3.111 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310752977 374223501 /nfs/dbraw/zinc/22/35/01/374223501.db2.gz KORZEWXHAVCLLN-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310752977 374223508 /nfs/dbraw/zinc/22/35/08/374223508.db2.gz KORZEWXHAVCLLN-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+](C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C=CCCC1 ZINC000452107758 374237976 /nfs/dbraw/zinc/23/79/76/374237976.db2.gz CCEXIMJTLIJKFY-CYBMUJFWSA-N 2 2 290.373 3.444 20 0 CGADLP C[N@@H+](C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C=CCCC1 ZINC000452107758 374237981 /nfs/dbraw/zinc/23/79/81/374237981.db2.gz CCEXIMJTLIJKFY-CYBMUJFWSA-N 2 2 290.373 3.444 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC[C@H](C)C3)[nH+]c12 ZINC000080236212 541922856 /nfs/dbraw/zinc/92/28/56/541922856.db2.gz MSXUAELTVCHGMB-ZFWWWQNUSA-N 2 2 271.408 3.354 20 0 CGADLP C1CC1[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000453092320 374364338 /nfs/dbraw/zinc/36/43/38/374364338.db2.gz DJOGUWCLMUORTG-DOTOQJQBSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000453092320 374364342 /nfs/dbraw/zinc/36/43/42/374364342.db2.gz DJOGUWCLMUORTG-DOTOQJQBSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262517 374379318 /nfs/dbraw/zinc/37/93/18/374379318.db2.gz STJBMPRFBLFZRR-YVEFUNNKSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262517 374379321 /nfs/dbraw/zinc/37/93/21/374379321.db2.gz STJBMPRFBLFZRR-YVEFUNNKSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433704 541936186 /nfs/dbraw/zinc/93/61/86/541936186.db2.gz ZEWIBQHHEIKYDP-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433704 541936189 /nfs/dbraw/zinc/93/61/89/541936189.db2.gz ZEWIBQHHEIKYDP-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C1(C)C ZINC000185235615 374617170 /nfs/dbraw/zinc/61/71/70/374617170.db2.gz YEOJKKGDQKPOJV-LSDHHAIUSA-N 2 2 291.439 3.065 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185674443 374710438 /nfs/dbraw/zinc/71/04/38/374710438.db2.gz FUHPBHDFFZEAFN-MAUKXSAKSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000334402454 374720272 /nfs/dbraw/zinc/72/02/72/374720272.db2.gz GBAVUOJMYVAASC-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000334402454 374720277 /nfs/dbraw/zinc/72/02/77/374720277.db2.gz GBAVUOJMYVAASC-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000474030148 375073044 /nfs/dbraw/zinc/07/30/44/375073044.db2.gz FHENJSFAGKMELG-ZWKOTPCHSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)cc1 ZINC000482540163 375171454 /nfs/dbraw/zinc/17/14/54/375171454.db2.gz CODXLZLAOVLCHV-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000482540163 375171456 /nfs/dbraw/zinc/17/14/56/375171456.db2.gz CODXLZLAOVLCHV-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330019 296226532 /nfs/dbraw/zinc/22/65/32/296226532.db2.gz VACQDUAFMLXVNV-NRUUGDAUSA-N 2 2 272.314 3.045 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330019 296226534 /nfs/dbraw/zinc/22/65/34/296226534.db2.gz VACQDUAFMLXVNV-NRUUGDAUSA-N 2 2 272.314 3.045 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474623159 375121802 /nfs/dbraw/zinc/12/18/02/375121802.db2.gz ZSYFMDUQTSRXOC-GRYCIOLGSA-N 2 2 286.872 3.435 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474623159 375121809 /nfs/dbraw/zinc/12/18/09/375121809.db2.gz ZSYFMDUQTSRXOC-GRYCIOLGSA-N 2 2 286.872 3.435 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000335184277 375208193 /nfs/dbraw/zinc/20/81/93/375208193.db2.gz VDSWDLQRYSVUAL-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1Cl ZINC000335184277 375208196 /nfs/dbraw/zinc/20/81/96/375208196.db2.gz VDSWDLQRYSVUAL-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000491582198 375334126 /nfs/dbraw/zinc/33/41/26/375334126.db2.gz VFWHGJDDQKCBFH-IHRRRGAJSA-N 2 2 274.399 3.132 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000491582198 375334129 /nfs/dbraw/zinc/33/41/29/375334129.db2.gz VFWHGJDDQKCBFH-IHRRRGAJSA-N 2 2 274.399 3.132 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336002753 375609841 /nfs/dbraw/zinc/60/98/41/375609841.db2.gz WUQSHGYPNCRHFR-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336002753 375609842 /nfs/dbraw/zinc/60/98/42/375609842.db2.gz WUQSHGYPNCRHFR-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000191839321 375668359 /nfs/dbraw/zinc/66/83/59/375668359.db2.gz MDADJJJZKWMUAJ-INIZCTEOSA-N 2 2 294.439 3.295 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000191839321 375668368 /nfs/dbraw/zinc/66/83/68/375668368.db2.gz MDADJJJZKWMUAJ-INIZCTEOSA-N 2 2 294.439 3.295 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000336101501 375686886 /nfs/dbraw/zinc/68/68/86/375686886.db2.gz VASBPAUSPUIQSQ-AQFXKWCLSA-N 2 2 281.403 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000336101207 375687068 /nfs/dbraw/zinc/68/70/68/375687068.db2.gz WOMJVLOEBMOTPQ-BXUZGUMPSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192286083 375724153 /nfs/dbraw/zinc/72/41/53/375724153.db2.gz NATKZXLOTZDOIT-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192286083 375724157 /nfs/dbraw/zinc/72/41/57/375724157.db2.gz NATKZXLOTZDOIT-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857807 375763589 /nfs/dbraw/zinc/76/35/89/375763589.db2.gz GEONKQDADUWDQC-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857807 375763595 /nfs/dbraw/zinc/76/35/95/375763595.db2.gz GEONKQDADUWDQC-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857807 375763599 /nfs/dbraw/zinc/76/35/99/375763599.db2.gz GEONKQDADUWDQC-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857807 375763605 /nfs/dbraw/zinc/76/36/05/375763605.db2.gz GEONKQDADUWDQC-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000193473841 375883900 /nfs/dbraw/zinc/88/39/00/375883900.db2.gz RMKFYGXSIGCYPQ-CYBMUJFWSA-N 2 2 282.378 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193473841 375883905 /nfs/dbraw/zinc/88/39/05/375883905.db2.gz RMKFYGXSIGCYPQ-CYBMUJFWSA-N 2 2 282.378 3.444 20 0 CGADLP C[N@H+](Cc1cc2ccccc2o1)Cc1cc[nH+]c(N)c1 ZINC000193367837 375870459 /nfs/dbraw/zinc/87/04/59/375870459.db2.gz LEMHHMLVPKUILR-UHFFFAOYSA-N 2 2 267.332 3.042 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1cc[nH+]c(N)c1 ZINC000193367837 375870468 /nfs/dbraw/zinc/87/04/68/375870468.db2.gz LEMHHMLVPKUILR-UHFFFAOYSA-N 2 2 267.332 3.042 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(O)c1Cl ZINC000336907787 376029514 /nfs/dbraw/zinc/02/95/14/376029514.db2.gz ZGBTYZWRRVLSOR-CYBMUJFWSA-N 2 2 296.842 3.400 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(O)c1Cl ZINC000336907787 376029522 /nfs/dbraw/zinc/02/95/22/376029522.db2.gz ZGBTYZWRRVLSOR-CYBMUJFWSA-N 2 2 296.842 3.400 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337145742 376100809 /nfs/dbraw/zinc/10/08/09/376100809.db2.gz FBVRCRGPCPAWIG-OAHLLOKOSA-N 2 2 262.397 3.361 20 0 CGADLP CC(C)(C)CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337145742 376100814 /nfs/dbraw/zinc/10/08/14/376100814.db2.gz FBVRCRGPCPAWIG-OAHLLOKOSA-N 2 2 262.397 3.361 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cscn1 ZINC000536624551 376103362 /nfs/dbraw/zinc/10/33/62/376103362.db2.gz OEMJZAYHMVMLAX-CYBMUJFWSA-N 2 2 269.458 3.306 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908066 376143950 /nfs/dbraw/zinc/14/39/50/376143950.db2.gz DEHRUVJYZCJOQO-XNRPHZJLSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Oc1cccc(Cl)c1 ZINC000536908066 376143957 /nfs/dbraw/zinc/14/39/57/376143957.db2.gz DEHRUVJYZCJOQO-XNRPHZJLSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536690921 376123425 /nfs/dbraw/zinc/12/34/25/376123425.db2.gz GWPLVZIGACNIBL-VJDWVQAOSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536690921 376123428 /nfs/dbraw/zinc/12/34/28/376123428.db2.gz GWPLVZIGACNIBL-VJDWVQAOSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000337348629 376214017 /nfs/dbraw/zinc/21/40/17/376214017.db2.gz ZFTVRSXUYGDWDP-RYRKJORJSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000337348629 376214032 /nfs/dbraw/zinc/21/40/32/376214032.db2.gz ZFTVRSXUYGDWDP-RYRKJORJSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337469495 376222106 /nfs/dbraw/zinc/22/21/06/376222106.db2.gz NBFORFPLAPBUNN-IRXDYDNUSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337469495 376222110 /nfs/dbraw/zinc/22/21/10/376222110.db2.gz NBFORFPLAPBUNN-IRXDYDNUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C[N@@H+]1C1CC1 ZINC000221861558 376223552 /nfs/dbraw/zinc/22/35/52/376223552.db2.gz PVMJCXXSYPUBQU-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C[N@H+]1C1CC1 ZINC000221861558 376223556 /nfs/dbraw/zinc/22/35/56/376223556.db2.gz PVMJCXXSYPUBQU-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199869 376280087 /nfs/dbraw/zinc/28/00/87/376280087.db2.gz ZSRPJGVDRKEOSE-MRXNPFEDSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000222566157 376238701 /nfs/dbraw/zinc/23/87/01/376238701.db2.gz MUGWBSLOJSZZNI-CQSZACIVSA-N 2 2 275.371 3.023 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338203161 376282113 /nfs/dbraw/zinc/28/21/13/376282113.db2.gz CFLDDOYWGVKAFG-MKBNYLNASA-N 2 2 292.373 3.169 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338203161 376282117 /nfs/dbraw/zinc/28/21/17/376282117.db2.gz CFLDDOYWGVKAFG-MKBNYLNASA-N 2 2 292.373 3.169 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093797 376293382 /nfs/dbraw/zinc/29/33/82/376293382.db2.gz PTVUMUFEEJEMPX-GWCFXTLKSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093797 376293386 /nfs/dbraw/zinc/29/33/86/376293386.db2.gz PTVUMUFEEJEMPX-GWCFXTLKSA-N 2 2 287.234 3.076 20 0 CGADLP c1cn(-c2csc(C[NH+]3C4CCC3CC4)c2)c[nH+]1 ZINC000542468853 376545588 /nfs/dbraw/zinc/54/55/88/376545588.db2.gz FKJSSQMXLOYVKX-UHFFFAOYSA-N 2 2 259.378 3.061 20 0 CGADLP COCC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(C)(C)C ZINC000338957182 376600197 /nfs/dbraw/zinc/60/01/97/376600197.db2.gz FNECEZCIUZKAMH-INIZCTEOSA-N 2 2 278.440 3.363 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000232754301 376588152 /nfs/dbraw/zinc/58/81/52/376588152.db2.gz SSUOPFLLEXQHGY-YJBOKZPZSA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000232754301 376588157 /nfs/dbraw/zinc/58/81/57/376588157.db2.gz SSUOPFLLEXQHGY-YJBOKZPZSA-N 2 2 274.452 3.499 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000542914274 376590857 /nfs/dbraw/zinc/59/08/57/376590857.db2.gz DPXAUZJVLFGCHF-FXAWDEMLSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000542914274 376590862 /nfs/dbraw/zinc/59/08/62/376590862.db2.gz DPXAUZJVLFGCHF-FXAWDEMLSA-N 2 2 298.474 3.352 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CCSc1[nH+]cc2ccccn21 ZINC000339038209 376640961 /nfs/dbraw/zinc/64/09/61/376640961.db2.gz WWWMMDLDEWWQAY-ZDUSSCGKSA-N 2 2 275.421 3.301 20 0 CGADLP C[N@H+]1CCCC[C@H]1CCSc1[nH+]cc2ccccn21 ZINC000339038209 376640964 /nfs/dbraw/zinc/64/09/64/376640964.db2.gz WWWMMDLDEWWQAY-ZDUSSCGKSA-N 2 2 275.421 3.301 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545151505 376788709 /nfs/dbraw/zinc/78/87/09/376788709.db2.gz XKBCELDPNLCXOH-UHFFFAOYSA-N 2 2 298.352 3.447 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000545151505 376788721 /nfs/dbraw/zinc/78/87/21/376788721.db2.gz XKBCELDPNLCXOH-UHFFFAOYSA-N 2 2 298.352 3.447 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157792488 542139310 /nfs/dbraw/zinc/13/93/10/542139310.db2.gz JTGUUFFJMGPQTH-WBVHZDCISA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157792488 542139315 /nfs/dbraw/zinc/13/93/15/542139315.db2.gz JTGUUFFJMGPQTH-WBVHZDCISA-N 2 2 290.838 3.401 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000556867553 376891813 /nfs/dbraw/zinc/89/18/13/376891813.db2.gz FVGHVIIKHKVVRW-PMPSAXMXSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000556867553 376891821 /nfs/dbraw/zinc/89/18/21/376891821.db2.gz FVGHVIIKHKVVRW-PMPSAXMXSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccncc1F ZINC000340184120 376939377 /nfs/dbraw/zinc/93/93/77/376939377.db2.gz POMQLOFZJNAVRO-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccncc1F ZINC000340184120 376939385 /nfs/dbraw/zinc/93/93/85/376939385.db2.gz POMQLOFZJNAVRO-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@]1(C)CCCO1 ZINC000340206986 376948922 /nfs/dbraw/zinc/94/89/22/376948922.db2.gz QZFXCVJXDYRMLS-SUMWQHHRSA-N 2 2 287.407 3.043 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccncc1F ZINC000340204918 376949948 /nfs/dbraw/zinc/94/99/48/376949948.db2.gz IPTCFIKSQYXNFD-LBPRGKRZSA-N 2 2 298.365 3.380 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369149 377022871 /nfs/dbraw/zinc/02/28/71/377022871.db2.gz NREDUESFLCLCOG-HNNXBMFYSA-N 2 2 294.389 3.414 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369149 377022877 /nfs/dbraw/zinc/02/28/77/377022877.db2.gz NREDUESFLCLCOG-HNNXBMFYSA-N 2 2 294.389 3.414 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369149 377022884 /nfs/dbraw/zinc/02/28/84/377022884.db2.gz NREDUESFLCLCOG-HNNXBMFYSA-N 2 2 294.389 3.414 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369149 377022888 /nfs/dbraw/zinc/02/28/88/377022888.db2.gz NREDUESFLCLCOG-HNNXBMFYSA-N 2 2 294.389 3.414 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000558228163 376986117 /nfs/dbraw/zinc/98/61/17/376986117.db2.gz PMJXLYXHMLRDFC-OIISXLGYSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCc1ccccc1 ZINC000558401927 377001212 /nfs/dbraw/zinc/00/12/12/377001212.db2.gz WOHGXWBLESWRBY-UHFFFAOYSA-N 2 2 268.404 3.497 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCc1ccccc1 ZINC000558401927 377001214 /nfs/dbraw/zinc/00/12/14/377001214.db2.gz WOHGXWBLESWRBY-UHFFFAOYSA-N 2 2 268.404 3.497 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449630 377065751 /nfs/dbraw/zinc/06/57/51/377065751.db2.gz MBXQRATXVQGSLT-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449630 377065756 /nfs/dbraw/zinc/06/57/56/377065756.db2.gz MBXQRATXVQGSLT-LRDDRELGSA-N 2 2 270.376 3.005 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000340475519 377088965 /nfs/dbraw/zinc/08/89/65/377088965.db2.gz SEMGZHCITFJXNW-NFAWXSAZSA-N 2 2 279.428 3.002 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)[NH+](C)C ZINC000560522994 377164458 /nfs/dbraw/zinc/16/44/58/377164458.db2.gz QPAUKJWAOJSBNM-RBSFLKMASA-N 2 2 258.425 3.081 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560899984 377198037 /nfs/dbraw/zinc/19/80/37/377198037.db2.gz IVOLYUQYGCPDMU-QGZVFWFLSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560899984 377198044 /nfs/dbraw/zinc/19/80/44/377198044.db2.gz IVOLYUQYGCPDMU-QGZVFWFLSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000248036636 377259752 /nfs/dbraw/zinc/25/97/52/377259752.db2.gz RRXGNWJBOLFASS-JTDSTZFVSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000248036636 377259762 /nfs/dbraw/zinc/25/97/62/377259762.db2.gz RRXGNWJBOLFASS-JTDSTZFVSA-N 2 2 295.430 3.253 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)C2 ZINC000562104035 377278602 /nfs/dbraw/zinc/27/86/02/377278602.db2.gz YHTDANSCDLXKIM-WBVHZDCISA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)CC2 ZINC000562104035 377278606 /nfs/dbraw/zinc/27/86/06/377278606.db2.gz YHTDANSCDLXKIM-WBVHZDCISA-N 2 2 281.403 3.398 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000248979544 377438968 /nfs/dbraw/zinc/43/89/68/377438968.db2.gz INUXQQHCMUDZJV-IRXDYDNUSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000248979544 377438977 /nfs/dbraw/zinc/43/89/77/377438977.db2.gz INUXQQHCMUDZJV-IRXDYDNUSA-N 2 2 292.492 3.238 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000249065894 377455511 /nfs/dbraw/zinc/45/55/11/377455511.db2.gz KFOKMKDPRHJTIP-CPUCHLNUSA-N 2 2 285.391 3.090 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCCC1 ZINC000563422152 377461688 /nfs/dbraw/zinc/46/16/88/377461688.db2.gz YAIHUZUZTYPUDB-HNNXBMFYSA-N 2 2 293.480 3.408 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249105620 377462582 /nfs/dbraw/zinc/46/25/82/377462582.db2.gz QHBAQSKIKOMCIO-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249105620 377462593 /nfs/dbraw/zinc/46/25/93/377462593.db2.gz QHBAQSKIKOMCIO-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341255071 377468485 /nfs/dbraw/zinc/46/84/85/377468485.db2.gz PRMWGZVQXZOMSD-INIZCTEOSA-N 2 2 281.403 3.273 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CCCCC1 ZINC000163698220 542169508 /nfs/dbraw/zinc/16/95/08/542169508.db2.gz VLFJHFPWJWWKRP-SFHVURJKSA-N 2 2 296.499 3.436 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091669352 249031935 /nfs/dbraw/zinc/03/19/35/249031935.db2.gz UPGZXFRIHTYPPK-UHFFFAOYSA-N 2 2 280.843 3.483 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C)cc1 ZINC000313256294 249089460 /nfs/dbraw/zinc/08/94/60/249089460.db2.gz SYYXQXUGDKCGSS-INIZCTEOSA-N 2 2 257.381 3.012 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000313246890 249090031 /nfs/dbraw/zinc/09/00/31/249090031.db2.gz AWHHAPYUIHKKLH-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC000313254877 249090290 /nfs/dbraw/zinc/09/02/90/249090290.db2.gz VDPVDUWBNNMLMG-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000374609922 249119804 /nfs/dbraw/zinc/11/98/04/249119804.db2.gz FZPYVTIQNAEZNI-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000374609922 249119807 /nfs/dbraw/zinc/11/98/07/249119807.db2.gz FZPYVTIQNAEZNI-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccccc2)C(C)C)n1C ZINC000516585712 249238395 /nfs/dbraw/zinc/23/83/95/249238395.db2.gz ZVXXOMKELVELQV-QGZVFWFLSA-N 2 2 271.408 3.258 20 0 CGADLP C[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265540525 190189332 /nfs/dbraw/zinc/18/93/32/190189332.db2.gz WPFZCCQTSLTCKI-ZDUSSCGKSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000251735656 377596161 /nfs/dbraw/zinc/59/61/61/377596161.db2.gz COMLQARVYZRYMY-FOGDFJRCSA-N 2 2 284.856 3.461 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3sc(Cl)cc32)CC[N@H+]1C ZINC000251735656 377596164 /nfs/dbraw/zinc/59/61/64/377596164.db2.gz COMLQARVYZRYMY-FOGDFJRCSA-N 2 2 284.856 3.461 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573967198 377600030 /nfs/dbraw/zinc/60/00/30/377600030.db2.gz SZFTYXRDHIDQAI-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573967198 377600038 /nfs/dbraw/zinc/60/00/38/377600038.db2.gz SZFTYXRDHIDQAI-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000181059351 542216825 /nfs/dbraw/zinc/21/68/25/542216825.db2.gz CODFFYQCZCHXLU-HNNXBMFYSA-N 2 2 275.371 3.399 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000252713931 377654261 /nfs/dbraw/zinc/65/42/61/377654261.db2.gz QNYXDJCHIIOOSY-HZSPNIEDSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000252713931 377654268 /nfs/dbraw/zinc/65/42/68/377654268.db2.gz QNYXDJCHIIOOSY-HZSPNIEDSA-N 2 2 250.430 3.170 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644503 377689589 /nfs/dbraw/zinc/68/95/89/377689589.db2.gz BKLNFBWHJMJZOO-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644503 377689595 /nfs/dbraw/zinc/68/95/95/377689595.db2.gz BKLNFBWHJMJZOO-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644503 377689602 /nfs/dbraw/zinc/68/96/02/377689602.db2.gz BKLNFBWHJMJZOO-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644503 377689611 /nfs/dbraw/zinc/68/96/11/377689611.db2.gz BKLNFBWHJMJZOO-XJKSGUPXSA-N 2 2 296.817 3.048 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725679 377758413 /nfs/dbraw/zinc/75/84/13/377758413.db2.gz KKADYYBUTXHROX-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725679 377758417 /nfs/dbraw/zinc/75/84/17/377758417.db2.gz KKADYYBUTXHROX-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725679 377758421 /nfs/dbraw/zinc/75/84/21/377758421.db2.gz KKADYYBUTXHROX-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725679 377758428 /nfs/dbraw/zinc/75/84/28/377758428.db2.gz KKADYYBUTXHROX-SWLSCSKDSA-N 2 2 293.480 3.183 20 0 CGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1F ZINC000342819369 377817794 /nfs/dbraw/zinc/81/77/94/377817794.db2.gz ASKGJRIACHRKST-UHFFFAOYSA-N 2 2 296.773 3.424 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000261566125 377818999 /nfs/dbraw/zinc/81/89/99/377818999.db2.gz DILSTUSTZMJCOC-CIUDSAMLSA-N 2 2 261.196 3.380 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581862 377820056 /nfs/dbraw/zinc/82/00/56/377820056.db2.gz QUVBVLMYCNHVKM-ZJUUUORDSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261581862 377820059 /nfs/dbraw/zinc/82/00/59/377820059.db2.gz QUVBVLMYCNHVKM-ZJUUUORDSA-N 2 2 260.303 3.045 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000258779217 377799255 /nfs/dbraw/zinc/79/92/55/377799255.db2.gz BIRWQMUXVCSABD-UHFFFAOYSA-N 2 2 254.377 3.053 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(Cl)c1Cl ZINC000261947675 377871174 /nfs/dbraw/zinc/87/11/74/377871174.db2.gz NMBYEVIWGMZYGU-SFYZADRCSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(Cl)c1Cl ZINC000261947675 377871175 /nfs/dbraw/zinc/87/11/75/377871175.db2.gz NMBYEVIWGMZYGU-SFYZADRCSA-N 2 2 279.236 3.224 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262125356 377888475 /nfs/dbraw/zinc/88/84/75/377888475.db2.gz XQVUZWRTCPZRCA-KDOFPFPSSA-N 2 2 296.414 3.141 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262125356 377888481 /nfs/dbraw/zinc/88/84/81/377888481.db2.gz XQVUZWRTCPZRCA-KDOFPFPSSA-N 2 2 296.414 3.141 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000261778049 377853177 /nfs/dbraw/zinc/85/31/77/377853177.db2.gz FEQIPDBNBVBUGA-KRWDZBQOSA-N 2 2 288.435 3.049 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000261778049 377853183 /nfs/dbraw/zinc/85/31/83/377853183.db2.gz FEQIPDBNBVBUGA-KRWDZBQOSA-N 2 2 288.435 3.049 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000261780239 377853985 /nfs/dbraw/zinc/85/39/85/377853985.db2.gz FHGLNZBSUCBTRK-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000261780239 377853991 /nfs/dbraw/zinc/85/39/91/377853991.db2.gz FHGLNZBSUCBTRK-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP CCCN(CC[NH+]1CCCC1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000343268323 377943431 /nfs/dbraw/zinc/94/34/31/377943431.db2.gz VTPQUXATWBTBBY-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317373 377952220 /nfs/dbraw/zinc/95/22/20/377952220.db2.gz ZJBTWSHXQZTXGJ-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317373 377952221 /nfs/dbraw/zinc/95/22/21/377952221.db2.gz ZJBTWSHXQZTXGJ-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759963 377989157 /nfs/dbraw/zinc/98/91/57/377989157.db2.gz YIDGHFNYNLRLRR-AAEUAGOBSA-N 2 2 279.453 3.112 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(C2CCCC2)s1 ZINC000575759963 377989163 /nfs/dbraw/zinc/98/91/63/377989163.db2.gz YIDGHFNYNLRLRR-AAEUAGOBSA-N 2 2 279.453 3.112 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000575816428 377993463 /nfs/dbraw/zinc/99/34/63/377993463.db2.gz QSEYMMRCJMIFME-ZDUSSCGKSA-N 2 2 299.422 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000578056038 378032797 /nfs/dbraw/zinc/03/27/97/378032797.db2.gz NSIYAMQPTDZSJH-CCKFTAQKSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000578056038 378032803 /nfs/dbraw/zinc/03/28/03/378032803.db2.gz NSIYAMQPTDZSJH-CCKFTAQKSA-N 2 2 284.447 3.253 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000578200559 378047624 /nfs/dbraw/zinc/04/76/24/378047624.db2.gz XSHGDQQVAAPUBW-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268736496 378098808 /nfs/dbraw/zinc/09/88/08/378098808.db2.gz BZLRCTYLTVROQX-HUUCEWRRSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771403 378106454 /nfs/dbraw/zinc/10/64/54/378106454.db2.gz QAKBQAOTYLVMJY-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccc1Br ZINC000578878320 378108910 /nfs/dbraw/zinc/10/89/10/378108910.db2.gz OXFZSJIDRIKMAA-GFCCVEGCSA-N 2 2 299.256 3.488 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268782635 378109174 /nfs/dbraw/zinc/10/91/74/378109174.db2.gz USPQLQSMRZDKMH-KRWDZBQOSA-N 2 2 295.361 3.293 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000580093667 378223462 /nfs/dbraw/zinc/22/34/62/378223462.db2.gz GYFKBFPZYQEMAA-LSDHHAIUSA-N 2 2 288.439 3.105 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000580093667 378223468 /nfs/dbraw/zinc/22/34/68/378223468.db2.gz GYFKBFPZYQEMAA-LSDHHAIUSA-N 2 2 288.439 3.105 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000579938598 378208399 /nfs/dbraw/zinc/20/83/99/378208399.db2.gz SSEACSZZGPYGOJ-KRWDZBQOSA-N 2 2 299.418 3.475 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)n1C ZINC000582073342 378284157 /nfs/dbraw/zinc/28/41/57/378284157.db2.gz AZLHITNSUREFEH-QLFBSQMISA-N 2 2 261.413 3.177 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345689529 378344848 /nfs/dbraw/zinc/34/48/48/378344848.db2.gz AGDIALNAFLWYIA-HOCLYGCPSA-N 2 2 291.439 3.184 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000271557563 378496957 /nfs/dbraw/zinc/49/69/57/378496957.db2.gz WDVDKMRBJIZWEO-INIZCTEOSA-N 2 2 288.341 3.488 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000346197840 378500875 /nfs/dbraw/zinc/50/08/75/378500875.db2.gz JTOWOACBXZJDFI-UKRRQHHQSA-N 2 2 261.413 3.415 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000346313363 378540546 /nfs/dbraw/zinc/54/05/46/378540546.db2.gz PTXDHMDPVGDIEI-MRXNPFEDSA-N 2 2 263.429 3.482 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000346313363 378540550 /nfs/dbraw/zinc/54/05/50/378540550.db2.gz PTXDHMDPVGDIEI-MRXNPFEDSA-N 2 2 263.429 3.482 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346331743 378547237 /nfs/dbraw/zinc/54/72/37/378547237.db2.gz OHMNGBBYDQKMKW-DZKIICNBSA-N 2 2 292.492 3.412 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346331743 378547244 /nfs/dbraw/zinc/54/72/44/378547244.db2.gz OHMNGBBYDQKMKW-DZKIICNBSA-N 2 2 292.492 3.412 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)CCC2 ZINC000346429071 378576663 /nfs/dbraw/zinc/57/66/63/378576663.db2.gz FUGMFTANGMXBHN-ZYHUDNBSSA-N 2 2 289.345 3.390 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)CCC2 ZINC000346429067 378576725 /nfs/dbraw/zinc/57/67/25/378576725.db2.gz FUGMFTANGMXBHN-JQWIXIFHSA-N 2 2 289.345 3.390 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000346281344 378530458 /nfs/dbraw/zinc/53/04/58/378530458.db2.gz UCCMQVJJXXZMSV-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000346281344 378530462 /nfs/dbraw/zinc/53/04/62/378530462.db2.gz UCCMQVJJXXZMSV-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP COC1CCC([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000346571468 378628024 /nfs/dbraw/zinc/62/80/24/378628024.db2.gz ZBZHDUUNQAYITB-UHFFFAOYSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346491742 378593608 /nfs/dbraw/zinc/59/36/08/378593608.db2.gz HTBOPECNEDLPHQ-DZGCQCFKSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346491742 378593613 /nfs/dbraw/zinc/59/36/13/378593613.db2.gz HTBOPECNEDLPHQ-DZGCQCFKSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346538848 378611104 /nfs/dbraw/zinc/61/11/04/378611104.db2.gz XZFQXKVDGDXREA-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP CCC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272343420 378617062 /nfs/dbraw/zinc/61/70/62/378617062.db2.gz ZXYSQSMGBSYPRY-CQSZACIVSA-N 2 2 290.455 3.213 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653662 378663382 /nfs/dbraw/zinc/66/33/82/378663382.db2.gz FCMJNFALCQMULB-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653662 378663388 /nfs/dbraw/zinc/66/33/88/378663388.db2.gz FCMJNFALCQMULB-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[N@H+](Cc1ncc(-c2ccccc2)s1)CC(C)(C)C[NH3+] ZINC000346656563 378664597 /nfs/dbraw/zinc/66/45/97/378664597.db2.gz GLEZPXIHNIHYEY-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP C[N@@H+](Cc1ncc(-c2ccccc2)s1)CC(C)(C)C[NH3+] ZINC000346656563 378664601 /nfs/dbraw/zinc/66/46/01/378664601.db2.gz GLEZPXIHNIHYEY-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272595686 378673841 /nfs/dbraw/zinc/67/38/41/378673841.db2.gz UINXDKVNMKRBKT-CHWSQXEVSA-N 2 2 296.374 3.492 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272595686 378673845 /nfs/dbraw/zinc/67/38/45/378673845.db2.gz UINXDKVNMKRBKT-CHWSQXEVSA-N 2 2 296.374 3.492 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c(C)s1 ZINC000346789953 378689546 /nfs/dbraw/zinc/68/95/46/378689546.db2.gz FHWZCKRMXDSLOX-SLEUVZQESA-N 2 2 266.454 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)s1 ZINC000346789953 378689552 /nfs/dbraw/zinc/68/95/52/378689552.db2.gz FHWZCKRMXDSLOX-SLEUVZQESA-N 2 2 266.454 3.498 20 0 CGADLP COc1ccccc1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000347958582 378740734 /nfs/dbraw/zinc/74/07/34/378740734.db2.gz ODCXHOWCJSTKFT-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1 ZINC000638116945 378705445 /nfs/dbraw/zinc/70/54/45/378705445.db2.gz MVMJLWWHZGORIY-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)c1 ZINC000638116945 378705451 /nfs/dbraw/zinc/70/54/51/378705451.db2.gz MVMJLWWHZGORIY-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(F)c1 ZINC000638116945 378705456 /nfs/dbraw/zinc/70/54/56/378705456.db2.gz MVMJLWWHZGORIY-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(F)c1 ZINC000638116945 378705457 /nfs/dbraw/zinc/70/54/57/378705457.db2.gz MVMJLWWHZGORIY-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114291 378705891 /nfs/dbraw/zinc/70/58/91/378705891.db2.gz VHRSSHCWFYRZCR-WFASDCNBSA-N 2 2 297.393 3.181 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114291 378705893 /nfs/dbraw/zinc/70/58/93/378705893.db2.gz VHRSSHCWFYRZCR-WFASDCNBSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114291 378705895 /nfs/dbraw/zinc/70/58/95/378705895.db2.gz VHRSSHCWFYRZCR-WFASDCNBSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114291 378705898 /nfs/dbraw/zinc/70/58/98/378705898.db2.gz VHRSSHCWFYRZCR-WFASDCNBSA-N 2 2 297.393 3.181 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CCC[C@H]2CCO2)[NH+](C)C)cc1 ZINC000638287473 378755418 /nfs/dbraw/zinc/75/54/18/378755418.db2.gz FDJYITYAWWSJOX-ZWKOTPCHSA-N 2 2 290.451 3.010 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2ncccc12 ZINC000638170827 378722429 /nfs/dbraw/zinc/72/24/29/378722429.db2.gz UXKKEXUIUWUHIB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2ncccc12 ZINC000638170827 378722438 /nfs/dbraw/zinc/72/24/38/378722438.db2.gz UXKKEXUIUWUHIB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2ncccc12 ZINC000638170827 378722442 /nfs/dbraw/zinc/72/24/42/378722442.db2.gz UXKKEXUIUWUHIB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2ncccc12 ZINC000638170827 378722448 /nfs/dbraw/zinc/72/24/48/378722448.db2.gz UXKKEXUIUWUHIB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP C[C@H](C[NH2+]Cc1nc2ccccc2o1)C[NH+]1CCCCC1 ZINC000638391434 378787368 /nfs/dbraw/zinc/78/73/68/378787368.db2.gz QLMPGYVNSXQBBN-CQSZACIVSA-N 2 2 287.407 3.039 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc2c(c1)COC2 ZINC000348093522 378787490 /nfs/dbraw/zinc/78/74/90/378787490.db2.gz ATRIDJXXVJAPMW-UHFFFAOYSA-N 2 2 282.387 3.143 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348101326 378791797 /nfs/dbraw/zinc/79/17/97/378791797.db2.gz JWFHHKJJYANZRG-HIFRSBDPSA-N 2 2 273.355 3.290 20 0 CGADLP c1cn(CCCC[NH2+]C[C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000638404812 378792025 /nfs/dbraw/zinc/79/20/25/378792025.db2.gz MVJLGGNBBODUBB-MRXNPFEDSA-N 2 2 283.419 3.058 20 0 CGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)OC ZINC000638421335 378797024 /nfs/dbraw/zinc/79/70/24/378797024.db2.gz RPSRGRAMMZVHHR-RHSMWYFYSA-N 2 2 287.407 3.023 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000566693030 322134944 /nfs/dbraw/zinc/13/49/44/322134944.db2.gz OWLPYVLMVPHNKX-PMPSAXMXSA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000566693030 322134946 /nfs/dbraw/zinc/13/49/46/322134946.db2.gz OWLPYVLMVPHNKX-PMPSAXMXSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)SCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348302143 378896236 /nfs/dbraw/zinc/89/62/36/378896236.db2.gz LYSMQHPOSQCPLD-DOTOQJQBSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)SCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348302143 378896237 /nfs/dbraw/zinc/89/62/37/378896237.db2.gz LYSMQHPOSQCPLD-DOTOQJQBSA-N 2 2 292.492 3.238 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C)C[NH+](C)C ZINC000348308406 378899573 /nfs/dbraw/zinc/89/95/73/378899573.db2.gz ROHHWPIFLAZVSJ-ZBFHGGJFSA-N 2 2 260.425 3.221 20 0 CGADLP CSc1ccccc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348330532 378913202 /nfs/dbraw/zinc/91/32/02/378913202.db2.gz XSOJFDPKJNXIOX-OAHLLOKOSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348330532 378913206 /nfs/dbraw/zinc/91/32/06/378913206.db2.gz XSOJFDPKJNXIOX-OAHLLOKOSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348330532 378913211 /nfs/dbraw/zinc/91/32/11/378913211.db2.gz XSOJFDPKJNXIOX-OAHLLOKOSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348330532 378913214 /nfs/dbraw/zinc/91/32/14/378913214.db2.gz XSOJFDPKJNXIOX-OAHLLOKOSA-N 2 2 278.465 3.325 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)CCC(C)(C)C ZINC000348347933 378921190 /nfs/dbraw/zinc/92/11/90/378921190.db2.gz TWOAHODLCRUJHG-INIZCTEOSA-N 2 2 278.440 3.099 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917073 378951660 /nfs/dbraw/zinc/95/16/60/378951660.db2.gz ACLSDFYZJYDKGG-AKHDSKFASA-N 2 2 284.447 3.206 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917073 378951669 /nfs/dbraw/zinc/95/16/69/378951669.db2.gz ACLSDFYZJYDKGG-AKHDSKFASA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917073 378951676 /nfs/dbraw/zinc/95/16/76/378951676.db2.gz ACLSDFYZJYDKGG-AKHDSKFASA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917073 378951682 /nfs/dbraw/zinc/95/16/82/378951682.db2.gz ACLSDFYZJYDKGG-AKHDSKFASA-N 2 2 284.447 3.206 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094270 218118941 /nfs/dbraw/zinc/11/89/41/218118941.db2.gz QTXJPRCBOUMPMQ-MRXNPFEDSA-N 2 2 292.423 3.130 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094270 218118942 /nfs/dbraw/zinc/11/89/42/218118942.db2.gz QTXJPRCBOUMPMQ-MRXNPFEDSA-N 2 2 292.423 3.130 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000347093046 218119207 /nfs/dbraw/zinc/11/92/07/218119207.db2.gz GPEUCUQTKQBPMA-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000347093046 218119208 /nfs/dbraw/zinc/11/92/08/218119208.db2.gz GPEUCUQTKQBPMA-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347097907 218121917 /nfs/dbraw/zinc/12/19/17/218121917.db2.gz TZKXPHONRLUAFZ-MRXNPFEDSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347097907 218121920 /nfs/dbraw/zinc/12/19/20/218121920.db2.gz TZKXPHONRLUAFZ-MRXNPFEDSA-N 2 2 288.778 3.388 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)OC ZINC000639051959 378985709 /nfs/dbraw/zinc/98/57/09/378985709.db2.gz AUQAINRHKTXGMF-USXIJHARSA-N 2 2 278.440 3.083 20 0 CGADLP c1sc2ccccc2c1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347129890 218130496 /nfs/dbraw/zinc/13/04/96/218130496.db2.gz QCBMEVKDYBPWHJ-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP c1sc2ccccc2c1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347129890 218130499 /nfs/dbraw/zinc/13/04/99/218130499.db2.gz QCBMEVKDYBPWHJ-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277083176 379062839 /nfs/dbraw/zinc/06/28/39/379062839.db2.gz FLJSVNNDSHAHJI-KGLIPLIRSA-N 2 2 287.407 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277083176 379062843 /nfs/dbraw/zinc/06/28/43/379062843.db2.gz FLJSVNNDSHAHJI-KGLIPLIRSA-N 2 2 287.407 3.305 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@H](C)C1 ZINC000347353451 218200465 /nfs/dbraw/zinc/20/04/65/218200465.db2.gz FMGKCWZOYMFKMX-OCCSQVGLSA-N 2 2 295.496 3.395 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@H](C)C1 ZINC000347353451 218200467 /nfs/dbraw/zinc/20/04/67/218200467.db2.gz FMGKCWZOYMFKMX-OCCSQVGLSA-N 2 2 295.496 3.395 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC=C(c3ccncc3)C2)[nH+]1 ZINC000348832996 379070321 /nfs/dbraw/zinc/07/03/21/379070321.db2.gz LDCDEQQNAKJIRN-UHFFFAOYSA-N 2 2 290.370 3.019 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC=C(c3ccncc3)C2)[nH+]1 ZINC000348832996 379070329 /nfs/dbraw/zinc/07/03/29/379070329.db2.gz LDCDEQQNAKJIRN-UHFFFAOYSA-N 2 2 290.370 3.019 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCCC2)Oc1ccccc1 ZINC000639148055 379070659 /nfs/dbraw/zinc/07/06/59/379070659.db2.gz BFNLTMWTOVYPNV-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CCC[C@H]3C3CC3)[nH+]c2)c[nH+]1 ZINC000348848038 379083485 /nfs/dbraw/zinc/08/34/85/379083485.db2.gz MBNGDGZLYFFEPU-HOTGVXAUSA-N 2 2 282.391 3.317 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1cccc(C)[nH+]1 ZINC000277198205 379094860 /nfs/dbraw/zinc/09/48/60/379094860.db2.gz PHTILWFWUZUCOP-UHFFFAOYSA-N 2 2 272.396 3.066 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000277324413 379131184 /nfs/dbraw/zinc/13/11/84/379131184.db2.gz CHGZUPJNWVIMCC-ZFWWWQNUSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000277324413 379131186 /nfs/dbraw/zinc/13/11/86/379131186.db2.gz CHGZUPJNWVIMCC-ZFWWWQNUSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639204882 379136210 /nfs/dbraw/zinc/13/62/10/379136210.db2.gz DRQSCGXLXXZNSG-LXZKKBNFSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639204882 379136212 /nfs/dbraw/zinc/13/62/12/379136212.db2.gz DRQSCGXLXXZNSG-LXZKKBNFSA-N 2 2 276.399 3.302 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000278787729 194155594 /nfs/dbraw/zinc/15/55/94/194155594.db2.gz PZRHPFRJSROOOI-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000278787729 194155597 /nfs/dbraw/zinc/15/55/97/194155597.db2.gz PZRHPFRJSROOOI-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000349178969 379178974 /nfs/dbraw/zinc/17/89/74/379178974.db2.gz BZOKOGCRTGWQJE-BRWVUGGUSA-N 2 2 281.403 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000349178969 379178982 /nfs/dbraw/zinc/17/89/82/379178982.db2.gz BZOKOGCRTGWQJE-BRWVUGGUSA-N 2 2 281.403 3.013 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373061387 379215433 /nfs/dbraw/zinc/21/54/33/379215433.db2.gz WRALOMGUDNUFGJ-DZGCQCFKSA-N 2 2 284.407 3.182 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000350895841 284773050 /nfs/dbraw/zinc/77/30/50/284773050.db2.gz LDTQVIICQQXPME-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP CC[C@H](c1ccccc1OC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000347554726 218272636 /nfs/dbraw/zinc/27/26/36/218272636.db2.gz JKZIBJLSIFSSBT-MRXNPFEDSA-N 2 2 287.407 3.365 20 0 CGADLP CC[C@H](c1ccccc1OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000347554726 218272639 /nfs/dbraw/zinc/27/26/39/218272639.db2.gz JKZIBJLSIFSSBT-MRXNPFEDSA-N 2 2 287.407 3.365 20 0 CGADLP Clc1cnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000349596769 379315953 /nfs/dbraw/zinc/31/59/53/379315953.db2.gz HKFPTXOGJXAOAQ-UHFFFAOYSA-N 2 2 296.827 3.173 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)cccc2OC)CC1 ZINC000639377740 379337866 /nfs/dbraw/zinc/33/78/66/379337866.db2.gz HRNPIIWFSOMFBD-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639346300 379301185 /nfs/dbraw/zinc/30/11/85/379301185.db2.gz RQXRVOVYNYVFGF-FPMFFAJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC1(F)F ZINC000639346300 379301193 /nfs/dbraw/zinc/30/11/93/379301193.db2.gz RQXRVOVYNYVFGF-FPMFFAJLSA-N 2 2 272.383 3.027 20 0 CGADLP CCc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374206063 379392769 /nfs/dbraw/zinc/39/27/69/379392769.db2.gz CBHDVPFRKMWMOX-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000639390579 379358044 /nfs/dbraw/zinc/35/80/44/379358044.db2.gz GFPXFVRINBJLRP-CWRNSKLLSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000639390579 379358054 /nfs/dbraw/zinc/35/80/54/379358054.db2.gz GFPXFVRINBJLRP-CWRNSKLLSA-N 2 2 294.389 3.203 20 0 CGADLP c1coc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000374004687 379360228 /nfs/dbraw/zinc/36/02/28/379360228.db2.gz YTODFZVBCSPJGB-MRXNPFEDSA-N 2 2 293.370 3.455 20 0 CGADLP c1coc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000374004687 379360231 /nfs/dbraw/zinc/36/02/31/379360231.db2.gz YTODFZVBCSPJGB-MRXNPFEDSA-N 2 2 293.370 3.455 20 0 CGADLP CCO[C@H]1CCC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639499835 379435364 /nfs/dbraw/zinc/43/53/64/379435364.db2.gz IQRAOQCICSRQKB-HNNXBMFYSA-N 2 2 262.397 3.008 20 0 CGADLP CCO[C@H]1CCC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639499835 379435370 /nfs/dbraw/zinc/43/53/70/379435370.db2.gz IQRAOQCICSRQKB-HNNXBMFYSA-N 2 2 262.397 3.008 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCOC1 ZINC000374241312 379397993 /nfs/dbraw/zinc/39/79/93/379397993.db2.gz LOHCGWLHBBNNAZ-DLBZAZTESA-N 2 2 294.483 3.047 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](OCC(C)C)C2)c(C)[nH+]1 ZINC000639516703 379448844 /nfs/dbraw/zinc/44/88/44/379448844.db2.gz LTISRZLDWPUHHD-INIZCTEOSA-N 2 2 276.424 3.254 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)c(C)[nH+]1 ZINC000639516703 379448855 /nfs/dbraw/zinc/44/88/55/379448855.db2.gz LTISRZLDWPUHHD-INIZCTEOSA-N 2 2 276.424 3.254 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542473 379462841 /nfs/dbraw/zinc/46/28/41/379462841.db2.gz HSECKNWAQWWPHR-UGSOOPFHSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542473 379462852 /nfs/dbraw/zinc/46/28/52/379462852.db2.gz HSECKNWAQWWPHR-UGSOOPFHSA-N 2 2 298.434 3.286 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000639553212 379467299 /nfs/dbraw/zinc/46/72/99/379467299.db2.gz AHUXJWQUAAMVNC-UHFFFAOYSA-N 2 2 262.388 3.086 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266694417 190275662 /nfs/dbraw/zinc/27/56/62/190275662.db2.gz BFXHUIOCVYBNTC-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP CC(C)[C@H](C)[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347644453 218303776 /nfs/dbraw/zinc/30/37/76/218303776.db2.gz VHRLSHACPKHRQM-LBPRGKRZSA-N 2 2 281.469 3.214 20 0 CGADLP CC(C)[C@H](C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347644453 218303777 /nfs/dbraw/zinc/30/37/77/218303777.db2.gz VHRLSHACPKHRQM-LBPRGKRZSA-N 2 2 281.469 3.214 20 0 CGADLP CCC1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000376729571 379595896 /nfs/dbraw/zinc/59/58/96/379595896.db2.gz RBGZUFQCDUAHBY-UHFFFAOYSA-N 2 2 261.413 3.278 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000280204209 379639866 /nfs/dbraw/zinc/63/98/66/379639866.db2.gz AMIXSHQYVJVWNG-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000280204209 379639877 /nfs/dbraw/zinc/63/98/77/379639877.db2.gz AMIXSHQYVJVWNG-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000280204209 379639883 /nfs/dbraw/zinc/63/98/83/379639883.db2.gz AMIXSHQYVJVWNG-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000280204209 379639894 /nfs/dbraw/zinc/63/98/94/379639894.db2.gz AMIXSHQYVJVWNG-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP CO[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000280406252 379700286 /nfs/dbraw/zinc/70/02/86/379700286.db2.gz YEOZUVCOAJXONG-GOSISDBHSA-N 2 2 299.418 3.263 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000280406252 379700317 /nfs/dbraw/zinc/70/03/17/379700317.db2.gz YEOZUVCOAJXONG-GOSISDBHSA-N 2 2 299.418 3.263 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377801988 379744014 /nfs/dbraw/zinc/74/40/14/379744014.db2.gz DLCXYXUGODNMSX-FOCJUVANSA-N 2 2 273.424 3.071 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377801988 379744019 /nfs/dbraw/zinc/74/40/19/379744019.db2.gz DLCXYXUGODNMSX-FOCJUVANSA-N 2 2 273.424 3.071 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000377803582 379744231 /nfs/dbraw/zinc/74/42/31/379744231.db2.gz YBLHGBKJAGFUPL-KDOFPFPSSA-N 2 2 299.418 3.263 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C(C)C)cc1 ZINC000377803582 379744236 /nfs/dbraw/zinc/74/42/36/379744236.db2.gz YBLHGBKJAGFUPL-KDOFPFPSSA-N 2 2 299.418 3.263 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000377826027 379745754 /nfs/dbraw/zinc/74/57/54/379745754.db2.gz IDZSITWRIDZFED-AWEZNQCLSA-N 2 2 263.429 3.138 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000377826027 379745760 /nfs/dbraw/zinc/74/57/60/379745760.db2.gz IDZSITWRIDZFED-AWEZNQCLSA-N 2 2 263.429 3.138 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)CCc1cccc2ccccc21 ZINC000347747731 218343753 /nfs/dbraw/zinc/34/37/53/218343753.db2.gz DLBCAUSWXRNCFN-UHFFFAOYSA-N 2 2 293.414 3.290 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1cccc2ccccc21 ZINC000347747731 218343755 /nfs/dbraw/zinc/34/37/55/218343755.db2.gz DLBCAUSWXRNCFN-UHFFFAOYSA-N 2 2 293.414 3.290 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267408615 190327954 /nfs/dbraw/zinc/32/79/54/190327954.db2.gz HSOJAVPNZUDPDQ-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267408615 190327955 /nfs/dbraw/zinc/32/79/55/190327955.db2.gz HSOJAVPNZUDPDQ-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267442216 190330442 /nfs/dbraw/zinc/33/04/42/190330442.db2.gz PFJDRYKYSWDYDJ-MRXNPFEDSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267442216 190330443 /nfs/dbraw/zinc/33/04/43/190330443.db2.gz PFJDRYKYSWDYDJ-MRXNPFEDSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)oc1C ZINC000282443713 379922065 /nfs/dbraw/zinc/92/20/65/379922065.db2.gz ZNAQUFZONZYEAV-CYBMUJFWSA-N 2 2 283.375 3.437 20 0 CGADLP COC[C@H](C)C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398078148 379927042 /nfs/dbraw/zinc/92/70/42/379927042.db2.gz ANLVFOMDPMLTLW-AEFFLSMTSA-N 2 2 292.467 3.015 20 0 CGADLP COC[C@H](C)C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398078148 379927051 /nfs/dbraw/zinc/92/70/51/379927051.db2.gz ANLVFOMDPMLTLW-AEFFLSMTSA-N 2 2 292.467 3.015 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000352617544 379880399 /nfs/dbraw/zinc/88/03/99/379880399.db2.gz FBCBZDBMSJSEPQ-QGZVFWFLSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000352617544 379880405 /nfs/dbraw/zinc/88/04/05/379880405.db2.gz FBCBZDBMSJSEPQ-QGZVFWFLSA-N 2 2 286.350 3.182 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000389263103 379895367 /nfs/dbraw/zinc/89/53/67/379895367.db2.gz PBWZBUWANKQAGH-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000389263103 379895372 /nfs/dbraw/zinc/89/53/72/379895372.db2.gz PBWZBUWANKQAGH-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000389431681 379898973 /nfs/dbraw/zinc/89/89/73/379898973.db2.gz YMQFMYUYVYMFET-ZDUSSCGKSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000389431681 379898977 /nfs/dbraw/zinc/89/89/77/379898977.db2.gz YMQFMYUYVYMFET-ZDUSSCGKSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000389556003 379900857 /nfs/dbraw/zinc/90/08/57/379900857.db2.gz RLJHNGNRXKOGOG-LLVKDONJSA-N 2 2 273.207 3.177 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000389556003 379900861 /nfs/dbraw/zinc/90/08/61/379900861.db2.gz RLJHNGNRXKOGOG-LLVKDONJSA-N 2 2 273.207 3.177 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000389658062 379903082 /nfs/dbraw/zinc/90/30/82/379903082.db2.gz SNOQUVKMRPILHG-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C[N@H+]1C1CC1 ZINC000389658062 379903093 /nfs/dbraw/zinc/90/30/93/379903093.db2.gz SNOQUVKMRPILHG-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CCc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000352759558 379943965 /nfs/dbraw/zinc/94/39/65/379943965.db2.gz JXUNOMDBORATEI-UHFFFAOYSA-N 2 2 292.386 3.120 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000400493094 379951622 /nfs/dbraw/zinc/95/16/22/379951622.db2.gz ZWRWTXHGZKLYLP-SGMGOOAPSA-N 2 2 258.365 3.224 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000347854516 218378504 /nfs/dbraw/zinc/37/85/04/218378504.db2.gz CNGOGBXOEDRGBD-ZFWWWQNUSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000347854516 218378506 /nfs/dbraw/zinc/37/85/06/218378506.db2.gz CNGOGBXOEDRGBD-ZFWWWQNUSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)s1 ZINC000347854506 218378536 /nfs/dbraw/zinc/37/85/36/218378536.db2.gz CNGOGBXOEDRGBD-HIFRSBDPSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)s1 ZINC000347854506 218378538 /nfs/dbraw/zinc/37/85/38/218378538.db2.gz CNGOGBXOEDRGBD-HIFRSBDPSA-N 2 2 293.480 3.359 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000352839091 379994961 /nfs/dbraw/zinc/99/49/61/379994961.db2.gz OAJMRTOACBJFDO-QRVBRYPASA-N 2 2 284.447 3.350 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000352839091 379994966 /nfs/dbraw/zinc/99/49/66/379994966.db2.gz OAJMRTOACBJFDO-QRVBRYPASA-N 2 2 284.447 3.350 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376739 379995932 /nfs/dbraw/zinc/99/59/32/379995932.db2.gz INAARKVZRCDJPL-GJZGRUSLSA-N 2 2 291.414 3.312 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376739 379995938 /nfs/dbraw/zinc/99/59/38/379995938.db2.gz INAARKVZRCDJPL-GJZGRUSLSA-N 2 2 291.414 3.312 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347873746 218385307 /nfs/dbraw/zinc/38/53/07/218385307.db2.gz VCYXYRVWSYFXJB-CQSZACIVSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347873746 218385309 /nfs/dbraw/zinc/38/53/09/218385309.db2.gz VCYXYRVWSYFXJB-CQSZACIVSA-N 2 2 295.496 3.463 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000352903493 380029214 /nfs/dbraw/zinc/02/92/14/380029214.db2.gz VDJUUDHVPVINNB-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000352903493 380029215 /nfs/dbraw/zinc/02/92/15/380029215.db2.gz VDJUUDHVPVINNB-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000641753532 380078997 /nfs/dbraw/zinc/07/89/97/380078997.db2.gz JEYDXXGAPTUPEX-ZIAGYGMSSA-N 2 2 261.413 3.278 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000641792367 380105569 /nfs/dbraw/zinc/10/55/69/380105569.db2.gz SFHBJSPNKZDIEV-JSGCOSHPSA-N 2 2 289.448 3.116 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000641792367 380105574 /nfs/dbraw/zinc/10/55/74/380105574.db2.gz SFHBJSPNKZDIEV-JSGCOSHPSA-N 2 2 289.448 3.116 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000641795878 380109273 /nfs/dbraw/zinc/10/92/73/380109273.db2.gz ARSZDPMBCSREHY-XJKSGUPXSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000641795878 380109280 /nfs/dbraw/zinc/10/92/80/380109280.db2.gz ARSZDPMBCSREHY-XJKSGUPXSA-N 2 2 299.418 3.352 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000353092162 380110827 /nfs/dbraw/zinc/11/08/27/380110827.db2.gz ROUCABZBQXUSIS-CJNGLKHVSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000353092162 380110830 /nfs/dbraw/zinc/11/08/30/380110830.db2.gz ROUCABZBQXUSIS-CJNGLKHVSA-N 2 2 290.476 3.264 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000643030458 380205122 /nfs/dbraw/zinc/20/51/22/380205122.db2.gz UUFTTYSHJQIUTH-STQMWFEESA-N 2 2 259.328 3.056 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000353247195 380186559 /nfs/dbraw/zinc/18/65/59/380186559.db2.gz GZDVTEHWAHNJTI-GFCCVEGCSA-N 2 2 271.355 3.077 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000414118192 380192284 /nfs/dbraw/zinc/19/22/84/380192284.db2.gz UQQJHQDXNKFYAL-QWQRMKEZSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000414118192 380192291 /nfs/dbraw/zinc/19/22/91/380192291.db2.gz UQQJHQDXNKFYAL-QWQRMKEZSA-N 2 2 288.435 3.137 20 0 CGADLP Cc1cncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000289439290 197348336 /nfs/dbraw/zinc/34/83/36/197348336.db2.gz SXXDVUCMWNPXSI-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000353975443 380259217 /nfs/dbraw/zinc/25/92/17/380259217.db2.gz UWQKTUNOEWLWJO-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000353975443 380259225 /nfs/dbraw/zinc/25/92/25/380259225.db2.gz UWQKTUNOEWLWJO-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCC)c1cccnc1 ZINC000353987752 380266913 /nfs/dbraw/zinc/26/69/13/380266913.db2.gz RPCYUUHWVHXDBM-IRXDYDNUSA-N 2 2 275.440 3.387 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCC)c1cccnc1 ZINC000353987752 380266918 /nfs/dbraw/zinc/26/69/18/380266918.db2.gz RPCYUUHWVHXDBM-IRXDYDNUSA-N 2 2 275.440 3.387 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065676 380210158 /nfs/dbraw/zinc/21/01/58/380210158.db2.gz FEJNZDMXLWAUBC-PKOBYXMFSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643065676 380210163 /nfs/dbraw/zinc/21/01/63/380210163.db2.gz FEJNZDMXLWAUBC-PKOBYXMFSA-N 2 2 280.415 3.066 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066789 380211250 /nfs/dbraw/zinc/21/12/50/380211250.db2.gz TYRLWUKAJQIPDN-KYOSRNDESA-N 2 2 296.361 3.033 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066789 380211255 /nfs/dbraw/zinc/21/12/55/380211255.db2.gz TYRLWUKAJQIPDN-KYOSRNDESA-N 2 2 296.361 3.033 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1C=CCCC1 ZINC000353553440 380213285 /nfs/dbraw/zinc/21/32/85/380213285.db2.gz CZVBRVNEUHZXJU-HNNXBMFYSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1C=CCCC1 ZINC000353553440 380213291 /nfs/dbraw/zinc/21/32/91/380213291.db2.gz CZVBRVNEUHZXJU-HNNXBMFYSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)[C@H]1C=CCCC1)Cc1ccco1 ZINC000353553440 380213294 /nfs/dbraw/zinc/21/32/94/380213294.db2.gz CZVBRVNEUHZXJU-HNNXBMFYSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@@H+](C)[C@H]1C=CCCC1)Cc1ccco1 ZINC000353553440 380213303 /nfs/dbraw/zinc/21/33/03/380213303.db2.gz CZVBRVNEUHZXJU-HNNXBMFYSA-N 2 2 262.397 3.142 20 0 CGADLP Cc1cccc(OCC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353913634 380231502 /nfs/dbraw/zinc/23/15/02/380231502.db2.gz JYIJHBVVFQXCNW-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP COCc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353928009 380239358 /nfs/dbraw/zinc/23/93/58/380239358.db2.gz KTRAVIMKIMUIES-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(Cl)c1 ZINC000643500841 380320833 /nfs/dbraw/zinc/32/08/33/380320833.db2.gz BEDSYNIUINTNOO-JQWIXIFHSA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000643501953 380324122 /nfs/dbraw/zinc/32/41/22/380324122.db2.gz USSJHUFDLNRKSN-SWLSCSKDSA-N 2 2 250.361 3.009 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501671 380324141 /nfs/dbraw/zinc/32/41/41/380324141.db2.gz NNOCYNRZWOOPFQ-NVXWUHKLSA-N 2 2 288.435 3.249 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000354101013 380325029 /nfs/dbraw/zinc/32/50/29/380325029.db2.gz QFWCLJWLQGNPCU-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000354101013 380325038 /nfs/dbraw/zinc/32/50/38/380325038.db2.gz QFWCLJWLQGNPCU-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000354101013 380325049 /nfs/dbraw/zinc/32/50/49/380325049.db2.gz QFWCLJWLQGNPCU-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000354101013 380325056 /nfs/dbraw/zinc/32/50/56/380325056.db2.gz QFWCLJWLQGNPCU-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501924 380325140 /nfs/dbraw/zinc/32/51/40/380325140.db2.gz STDGPQHNOATVFN-HIFRSBDPSA-N 2 2 294.826 3.285 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507029 380327981 /nfs/dbraw/zinc/32/79/81/380327981.db2.gz QFAGAQFHAPPPGS-QGZVFWFLSA-N 2 2 288.435 3.365 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643508010 380330103 /nfs/dbraw/zinc/33/01/03/380330103.db2.gz ZMPXJLZDQSPDBG-IBGZPJMESA-N 2 2 298.405 3.451 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000643511437 380334090 /nfs/dbraw/zinc/33/40/90/380334090.db2.gz NIOXRQZIVFWRBZ-ZWNOBZJWSA-N 2 2 267.442 3.010 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000643344774 380285195 /nfs/dbraw/zinc/28/51/95/380285195.db2.gz MYPXJLXGEIXYDN-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000643344774 380285198 /nfs/dbraw/zinc/28/51/98/380285198.db2.gz MYPXJLXGEIXYDN-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467554 380315941 /nfs/dbraw/zinc/31/59/41/380315941.db2.gz UHWATQSEDWKNQS-DAXOMENPSA-N 2 2 296.842 3.148 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414673396 380366219 /nfs/dbraw/zinc/36/62/19/380366219.db2.gz CEBUGDKCIGSONB-MRXNPFEDSA-N 2 2 276.424 3.220 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414673396 380366224 /nfs/dbraw/zinc/36/62/24/380366224.db2.gz CEBUGDKCIGSONB-MRXNPFEDSA-N 2 2 276.424 3.220 20 0 CGADLP COc1cccc(C2CC[NH+](CC[NH2+]C(C)(C)C)CC2)c1 ZINC000414695699 380378532 /nfs/dbraw/zinc/37/85/32/380378532.db2.gz PODAVAKFHNODJD-UHFFFAOYSA-N 2 2 290.451 3.263 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000414695919 380378829 /nfs/dbraw/zinc/37/88/29/380378829.db2.gz ADXAVSUBEGGGDG-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)C[NH+]2CCCCC2)c[nH+]1 ZINC000354145306 380344608 /nfs/dbraw/zinc/34/46/08/380344608.db2.gz AQPZLCKOUQPIEB-INIZCTEOSA-N 3 2 289.467 3.034 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000643530028 380346473 /nfs/dbraw/zinc/34/64/73/380346473.db2.gz YCMAUGOTYJREDL-NXEZZACHSA-N 2 2 258.768 3.128 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000643538914 380355474 /nfs/dbraw/zinc/35/54/74/380355474.db2.gz ZYLNUWLHBZIBRE-ZIBATOQPSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1ccc(CCC[NH2+]CCN(C)Cc2ccccc2)c[nH+]1 ZINC000354183320 380356713 /nfs/dbraw/zinc/35/67/13/380356713.db2.gz ZJSALIMEYIKUNS-UHFFFAOYSA-N 2 2 297.446 3.044 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414662666 380358485 /nfs/dbraw/zinc/35/84/85/380358485.db2.gz ZOQKMCYACNGLSM-OAHLLOKOSA-N 2 2 270.376 3.260 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000414662666 380358489 /nfs/dbraw/zinc/35/84/89/380358489.db2.gz ZOQKMCYACNGLSM-OAHLLOKOSA-N 2 2 270.376 3.260 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000414811714 380423564 /nfs/dbraw/zinc/42/35/64/380423564.db2.gz ZVUDKTGVBBXVKJ-UHFFFAOYSA-N 2 2 290.329 3.192 20 0 CGADLP c1sc(-c2ccccc2)nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414815321 380425480 /nfs/dbraw/zinc/42/54/80/380425480.db2.gz PCMWWMUELMCMLA-YIONKMFJSA-N 2 2 299.443 3.183 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414856361 380457046 /nfs/dbraw/zinc/45/70/46/380457046.db2.gz YQLHIJIVBCSHRF-CQSZACIVSA-N 2 2 295.496 3.438 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1 ZINC000414826903 380435669 /nfs/dbraw/zinc/43/56/69/380435669.db2.gz GKNKQPOPPWIKGW-GOSISDBHSA-N 2 2 266.388 3.354 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829811 380438331 /nfs/dbraw/zinc/43/83/31/380438331.db2.gz LGHDPRINQHCTQS-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414834793 380442576 /nfs/dbraw/zinc/44/25/76/380442576.db2.gz HANQGNUOBBBCBW-NSHDSACASA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000414833739 380442737 /nfs/dbraw/zinc/44/27/37/380442737.db2.gz PZFBJADCOATPGR-OAHLLOKOSA-N 2 2 289.448 3.131 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000354449615 380443265 /nfs/dbraw/zinc/44/32/65/380443265.db2.gz AMLMEHGCPIVFAY-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)C1(C[NH3+])CCC1 ZINC000414790636 380407343 /nfs/dbraw/zinc/40/73/43/380407343.db2.gz PXHKCMKWOAPYEJ-UHFFFAOYSA-N 2 2 289.810 3.201 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)C1(C[NH3+])CCC1 ZINC000414790636 380407351 /nfs/dbraw/zinc/40/73/51/380407351.db2.gz PXHKCMKWOAPYEJ-UHFFFAOYSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000414796748 380410510 /nfs/dbraw/zinc/41/05/10/380410510.db2.gz HZWHONRBDQMQKE-HRCADAONSA-N 2 2 296.405 3.360 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1Br ZINC000414809547 380421960 /nfs/dbraw/zinc/42/19/60/380421960.db2.gz GVVGRYIHTXRWKB-GFCCVEGCSA-N 2 2 285.229 3.056 20 0 CGADLP [NH3+]C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc2ccccc2c1 ZINC000414940829 380497464 /nfs/dbraw/zinc/49/74/64/380497464.db2.gz KOSDFFRCFKJXJQ-GUYCJALGSA-N 2 2 286.444 3.182 20 0 CGADLP CC1([NH2+]Cc2csc(-c3ccsc3)n2)CC[NH2+]CC1 ZINC000414948706 380501509 /nfs/dbraw/zinc/50/15/09/380501509.db2.gz YTDJTPXPNSBZTI-UHFFFAOYSA-N 2 2 293.461 3.103 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CC2(O)CCCCCC2)c[nH+]1 ZINC000354652541 380515245 /nfs/dbraw/zinc/51/52/45/380515245.db2.gz RFPIKYADIHWMPH-UHFFFAOYSA-N 2 2 290.451 3.340 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CC2(O)CCCCCC2)c[nH+]1 ZINC000354652541 380515255 /nfs/dbraw/zinc/51/52/55/380515255.db2.gz RFPIKYADIHWMPH-UHFFFAOYSA-N 2 2 290.451 3.340 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000354496341 380460710 /nfs/dbraw/zinc/46/07/10/380460710.db2.gz HMYIOHBGHXNWQE-IAGOWNOFSA-N 2 2 288.435 3.260 20 0 CGADLP Cc1nc(C[NH2+]CCCc2ccc(C)[nH+]c2)sc1C ZINC000354516128 380465647 /nfs/dbraw/zinc/46/56/47/380465647.db2.gz UHILALDNKDPIAH-UHFFFAOYSA-N 2 2 275.421 3.186 20 0 CGADLP C[NH2+]Cc1cccc(NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000414868637 380466534 /nfs/dbraw/zinc/46/65/34/380466534.db2.gz PDCJPKDAMOMZPT-UHFFFAOYSA-N 2 2 298.434 3.258 20 0 CGADLP Cc1ccc2[nH+]ccc(NCc3cn4ccccc4[nH+]3)c2c1 ZINC000354523266 380469110 /nfs/dbraw/zinc/46/91/10/380469110.db2.gz QEJVVGQZSSCQGP-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP CCn1c2ccccc2c2cc(C[NH2+][C@@H]3CC[NH2+]C3)ccc21 ZINC000414890823 380476411 /nfs/dbraw/zinc/47/64/11/380476411.db2.gz VQESPEFBPHGWHU-OAHLLOKOSA-N 2 2 293.414 3.266 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000354539375 380478810 /nfs/dbraw/zinc/47/88/10/380478810.db2.gz IRXFQVKHCDCWGQ-ZDUSSCGKSA-N 2 2 264.438 3.054 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000355301295 380632415 /nfs/dbraw/zinc/63/24/15/380632415.db2.gz BJAJUUDDNLDPEW-KEYYUXOJSA-N 2 2 285.391 3.090 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588556 /nfs/dbraw/zinc/58/85/56/380588556.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 2 284.447 3.234 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588562 /nfs/dbraw/zinc/58/85/62/380588562.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 2 284.447 3.234 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588568 /nfs/dbraw/zinc/58/85/68/380588568.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 2 284.447 3.234 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000355128607 380588575 /nfs/dbraw/zinc/58/85/75/380588575.db2.gz CXDOFJSVAMETIO-MOPGFXCFSA-N 2 2 284.447 3.234 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355154438 380601241 /nfs/dbraw/zinc/60/12/41/380601241.db2.gz KSMLZZPWSSUKHQ-HIFRSBDPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000355154438 380601242 /nfs/dbraw/zinc/60/12/42/380601242.db2.gz KSMLZZPWSSUKHQ-HIFRSBDPSA-N 2 2 294.389 3.284 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353413 380603892 /nfs/dbraw/zinc/60/38/92/380603892.db2.gz IXZCOMHAHLFHHH-INIZCTEOSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000348250557 218529363 /nfs/dbraw/zinc/52/93/63/218529363.db2.gz XAVGQYJFVBLTGQ-BZSNNMDCSA-N 2 2 295.430 3.462 20 0 CGADLP Cc1cnc(CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837174 380747684 /nfs/dbraw/zinc/74/76/84/380747684.db2.gz JCLHFJXFKOYZJK-YJBOKZPZSA-N 2 2 298.434 3.021 20 0 CGADLP Cc1cnc(CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837174 380747688 /nfs/dbraw/zinc/74/76/88/380747688.db2.gz JCLHFJXFKOYZJK-YJBOKZPZSA-N 2 2 298.434 3.021 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646050556 380812466 /nfs/dbraw/zinc/81/24/66/380812466.db2.gz HVVBRUCZVWNDJA-HUUCEWRRSA-N 2 2 261.413 3.031 20 0 CGADLP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646050556 380812472 /nfs/dbraw/zinc/81/24/72/380812472.db2.gz HVVBRUCZVWNDJA-HUUCEWRRSA-N 2 2 261.413 3.031 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@@H+]1C1CC1 ZINC000421338231 380879507 /nfs/dbraw/zinc/87/95/07/380879507.db2.gz BWNJNIDWKNZPAR-GUYCJALGSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@H+]1C1CC1 ZINC000421338231 380879519 /nfs/dbraw/zinc/87/95/19/380879519.db2.gz BWNJNIDWKNZPAR-GUYCJALGSA-N 2 2 270.420 3.279 20 0 CGADLP CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000356900815 380926613 /nfs/dbraw/zinc/92/66/13/380926613.db2.gz PFZLNRDDVTUBCH-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000356912125 380933763 /nfs/dbraw/zinc/93/37/63/380933763.db2.gz ZMWCGAJBQBMCMR-ZMSDIMECSA-N 2 2 299.418 3.338 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357144983 381043227 /nfs/dbraw/zinc/04/32/27/381043227.db2.gz KHJZTBSBBSLOKX-NWDGAFQWSA-N 2 2 290.794 3.128 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357144983 381043234 /nfs/dbraw/zinc/04/32/34/381043234.db2.gz KHJZTBSBBSLOKX-NWDGAFQWSA-N 2 2 290.794 3.128 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761599 542284651 /nfs/dbraw/zinc/28/46/51/542284651.db2.gz YMHRZYRHJWTXOR-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761599 542284653 /nfs/dbraw/zinc/28/46/53/542284653.db2.gz YMHRZYRHJWTXOR-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP COC1(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557554 381801598 /nfs/dbraw/zinc/80/15/98/381801598.db2.gz RKPUONWGCSHGTG-CVEARBPZSA-N 2 2 291.439 3.115 20 0 CGADLP COC1(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557554 381801607 /nfs/dbraw/zinc/80/16/07/381801607.db2.gz RKPUONWGCSHGTG-CVEARBPZSA-N 2 2 291.439 3.115 20 0 CGADLP COC1(C[N@@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561437 381806302 /nfs/dbraw/zinc/80/63/02/381806302.db2.gz FGXRBZXWEYNIMD-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[N@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561437 381806304 /nfs/dbraw/zinc/80/63/04/381806304.db2.gz FGXRBZXWEYNIMD-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[NH+]2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561437 381806311 /nfs/dbraw/zinc/80/63/11/381806311.db2.gz FGXRBZXWEYNIMD-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[NH+]2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561437 381806318 /nfs/dbraw/zinc/80/63/18/381806318.db2.gz FGXRBZXWEYNIMD-IXDOHACOSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@@H+]1C1CC1 ZINC000362913674 382145354 /nfs/dbraw/zinc/14/53/54/382145354.db2.gz OCBAKMGPSFKEAS-NHYWBVRUSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@H+]1C1CC1 ZINC000362913674 382145364 /nfs/dbraw/zinc/14/53/64/382145364.db2.gz OCBAKMGPSFKEAS-NHYWBVRUSA-N 2 2 287.382 3.022 20 0 CGADLP C[N@H+](CC[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000362916034 382146798 /nfs/dbraw/zinc/14/67/98/382146798.db2.gz DNPWKLJERMUOTC-UHFFFAOYSA-N 2 2 272.436 3.431 20 0 CGADLP C[N@@H+](CC[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000362916034 382146806 /nfs/dbraw/zinc/14/68/06/382146806.db2.gz DNPWKLJERMUOTC-UHFFFAOYSA-N 2 2 272.436 3.431 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCC(C)CC1 ZINC000362932590 382154248 /nfs/dbraw/zinc/15/42/48/382154248.db2.gz XFMSZWGLDKWDNF-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CS1 ZINC000365178963 382282045 /nfs/dbraw/zinc/28/20/45/382282045.db2.gz VGHOZISJTWECCP-DZKIICNBSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CS1 ZINC000365178963 382282051 /nfs/dbraw/zinc/28/20/51/382282051.db2.gz VGHOZISJTWECCP-DZKIICNBSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000235206864 542311519 /nfs/dbraw/zinc/31/15/19/542311519.db2.gz YONFNHPUZBUNOH-TZMCWYRMSA-N 2 2 258.365 3.226 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000251940496 542348250 /nfs/dbraw/zinc/34/82/50/542348250.db2.gz WACHEPLWQAISLM-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000251940496 542348253 /nfs/dbraw/zinc/34/82/53/542348253.db2.gz WACHEPLWQAISLM-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000352834934 532957666 /nfs/dbraw/zinc/95/76/66/532957666.db2.gz MKCTVVOVBIYPGV-LLVKDONJSA-N 2 2 281.450 3.092 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423321184 533027316 /nfs/dbraw/zinc/02/73/16/533027316.db2.gz MZBNZJRACWAJCH-INIZCTEOSA-N 2 2 298.430 3.240 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000289352881 197308911 /nfs/dbraw/zinc/30/89/11/197308911.db2.gz XQZRBIMZIYMSMY-AWEZNQCLSA-N 2 2 272.396 3.039 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000289300832 197289611 /nfs/dbraw/zinc/28/96/11/197289611.db2.gz QWHUSYDCBBSVOR-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285708797 542389165 /nfs/dbraw/zinc/38/91/65/542389165.db2.gz OSCZNKSHMMJPRN-PBHICJAKSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285708797 542389168 /nfs/dbraw/zinc/38/91/68/542389168.db2.gz OSCZNKSHMMJPRN-PBHICJAKSA-N 2 2 269.392 3.275 20 0 CGADLP COC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446743659 533090722 /nfs/dbraw/zinc/09/07/22/533090722.db2.gz GGKZXJFCHUGVRZ-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446743659 533090728 /nfs/dbraw/zinc/09/07/28/533090728.db2.gz GGKZXJFCHUGVRZ-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000289269184 197281286 /nfs/dbraw/zinc/28/12/86/197281286.db2.gz NHZANAPNSGZKMS-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000289201906 197262059 /nfs/dbraw/zinc/26/20/59/197262059.db2.gz HTLDHANCHGRNSP-MRXNPFEDSA-N 2 2 297.402 3.090 20 0 CGADLP CC(C)c1ncc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000353898712 220396174 /nfs/dbraw/zinc/39/61/74/220396174.db2.gz KQVLASZIKZEPOB-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000353898712 220396177 /nfs/dbraw/zinc/39/61/77/220396177.db2.gz KQVLASZIKZEPOB-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000423266425 533111364 /nfs/dbraw/zinc/11/13/64/533111364.db2.gz SAHJBHPDHJKUTA-PXAZEXFGSA-N 2 2 294.414 3.393 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000289056045 197223687 /nfs/dbraw/zinc/22/36/87/197223687.db2.gz BPNZIANAMKENFD-SFHVURJKSA-N 2 2 284.403 3.300 20 0 CGADLP COCC[C@H]1CCCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750166 285176852 /nfs/dbraw/zinc/17/68/52/285176852.db2.gz BGYINYIJQYWSLQ-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750166 285176854 /nfs/dbraw/zinc/17/68/54/285176854.db2.gz BGYINYIJQYWSLQ-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450750166 285176856 /nfs/dbraw/zinc/17/68/56/285176856.db2.gz BGYINYIJQYWSLQ-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@H]1CCCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450750166 285176858 /nfs/dbraw/zinc/17/68/58/285176858.db2.gz BGYINYIJQYWSLQ-MSOLQXFVSA-N 2 2 296.499 3.388 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288440263 197078730 /nfs/dbraw/zinc/07/87/30/197078730.db2.gz LUXOQUHAGPEJDR-BEFAXECRSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000288440263 197078731 /nfs/dbraw/zinc/07/87/31/197078731.db2.gz LUXOQUHAGPEJDR-BEFAXECRSA-N 2 2 296.414 3.145 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(F)(F)C2)n1-c1ccccc1 ZINC000314667098 542436473 /nfs/dbraw/zinc/43/64/73/542436473.db2.gz BGFYYRLXUYSZOD-ZDUSSCGKSA-N 2 2 291.345 3.458 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334178074 542454367 /nfs/dbraw/zinc/45/43/67/542454367.db2.gz DGOPJSICYXKYGR-DYVFJYSZSA-N 2 2 291.439 3.109 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334178074 542454369 /nfs/dbraw/zinc/45/43/69/542454369.db2.gz DGOPJSICYXKYGR-DYVFJYSZSA-N 2 2 291.439 3.109 20 0 CGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000335319732 542466792 /nfs/dbraw/zinc/46/67/92/542466792.db2.gz ZQVYTSLPQNYGNT-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000335319732 542466795 /nfs/dbraw/zinc/46/67/95/542466795.db2.gz ZQVYTSLPQNYGNT-MRXNPFEDSA-N 2 2 293.480 3.016 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000226900216 285289359 /nfs/dbraw/zinc/28/93/59/285289359.db2.gz YFLBCXQRIFAJAG-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000226900216 285289362 /nfs/dbraw/zinc/28/93/62/285289362.db2.gz YFLBCXQRIFAJAG-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)n1 ZINC000339076989 542486293 /nfs/dbraw/zinc/48/62/93/542486293.db2.gz XBXHNRIOTNTWLE-QLFBSQMISA-N 2 2 291.464 3.119 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)n1 ZINC000339076989 542486296 /nfs/dbraw/zinc/48/62/96/542486296.db2.gz XBXHNRIOTNTWLE-QLFBSQMISA-N 2 2 291.464 3.119 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348421150 542519845 /nfs/dbraw/zinc/51/98/45/542519845.db2.gz UOQGQGUPULODNE-CCKFTAQKSA-N 2 2 299.462 3.385 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000354583738 542563660 /nfs/dbraw/zinc/56/36/60/542563660.db2.gz KFBVRUAHKPOWDW-ZSVAQUKISA-N 2 2 280.378 3.283 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423287038 533352193 /nfs/dbraw/zinc/35/21/93/533352193.db2.gz JXUIXKXEJQFHOJ-LLVKDONJSA-N 2 2 275.421 3.198 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1(c2ccccc2)CCCC1 ZINC000414129614 533405617 /nfs/dbraw/zinc/40/56/17/533405617.db2.gz VMQVJDNUIOTFSN-MRXNPFEDSA-N 2 2 297.446 3.453 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423341624 533426700 /nfs/dbraw/zinc/42/67/00/533426700.db2.gz MOHQCFYKXCUVFW-WBMJQRKESA-N 2 2 293.480 3.062 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423320164 533431733 /nfs/dbraw/zinc/43/17/33/533431733.db2.gz MBSVJBIAQWXQMC-RISCZKNCSA-N 2 2 287.432 3.198 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000449017700 533651623 /nfs/dbraw/zinc/65/16/23/533651623.db2.gz QEOKRFSMOJVDBN-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000449017700 533651632 /nfs/dbraw/zinc/65/16/32/533651632.db2.gz QEOKRFSMOJVDBN-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897649 130036582 /nfs/dbraw/zinc/03/65/82/130036582.db2.gz ZBXZINMXCRIGRX-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229791 542607570 /nfs/dbraw/zinc/60/75/70/542607570.db2.gz IGTMHMXVZWJCEV-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000389229791 542607574 /nfs/dbraw/zinc/60/75/74/542607574.db2.gz IGTMHMXVZWJCEV-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000389419903 542608463 /nfs/dbraw/zinc/60/84/63/542608463.db2.gz AOZHVOCBOBDOPV-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000389419903 542608467 /nfs/dbraw/zinc/60/84/67/542608467.db2.gz AOZHVOCBOBDOPV-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932161 391979013 /nfs/dbraw/zinc/97/90/13/391979013.db2.gz PXHOYUDIPKMELK-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000361747309 392310811 /nfs/dbraw/zinc/31/08/11/392310811.db2.gz ZISSDQVHOHSBOB-HIFRSBDPSA-N 2 2 298.430 3.499 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000361747309 392310813 /nfs/dbraw/zinc/31/08/13/392310813.db2.gz ZISSDQVHOHSBOB-HIFRSBDPSA-N 2 2 298.430 3.499 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361768292 392318206 /nfs/dbraw/zinc/31/82/06/392318206.db2.gz RCSYPHYYLDIOKT-SGMGOOAPSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361768292 392318208 /nfs/dbraw/zinc/31/82/08/392318208.db2.gz RCSYPHYYLDIOKT-SGMGOOAPSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361768287 392318994 /nfs/dbraw/zinc/31/89/94/392318994.db2.gz RCSYPHYYLDIOKT-DYEKYZERSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361768287 392318998 /nfs/dbraw/zinc/31/89/98/392318998.db2.gz RCSYPHYYLDIOKT-DYEKYZERSA-N 2 2 296.842 3.482 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000286060548 392370918 /nfs/dbraw/zinc/37/09/18/392370918.db2.gz LKWCIXDVMBIUSP-HNNXBMFYSA-N 2 2 284.407 3.328 20 0 CGADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000262669860 131249681 /nfs/dbraw/zinc/24/96/81/131249681.db2.gz NBDDUYHAVFMGOD-KRWDZBQOSA-N 2 2 299.374 3.330 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1cccs1 ZINC000110113629 392378371 /nfs/dbraw/zinc/37/83/71/392378371.db2.gz GIAAVXDIYPJTHH-LBPRGKRZSA-N 2 2 288.420 3.130 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287327045 392395778 /nfs/dbraw/zinc/39/57/78/392395778.db2.gz MCHCUWUDGTWWED-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287327045 392395784 /nfs/dbraw/zinc/39/57/84/392395784.db2.gz MCHCUWUDGTWWED-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1OC ZINC000128957194 392450162 /nfs/dbraw/zinc/45/01/62/392450162.db2.gz ZBUNEDOKBVKTSC-ZQIUZPCESA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1OC ZINC000128957194 392450168 /nfs/dbraw/zinc/45/01/68/392450168.db2.gz ZBUNEDOKBVKTSC-ZQIUZPCESA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367080838 392468566 /nfs/dbraw/zinc/46/85/66/392468566.db2.gz OKWNKFCNRRJGRZ-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000132637025 392461829 /nfs/dbraw/zinc/46/18/29/392461829.db2.gz XHBJVAZZYHPOSP-NTZNESFSSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000132637025 392461833 /nfs/dbraw/zinc/46/18/33/392461833.db2.gz XHBJVAZZYHPOSP-NTZNESFSSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782655 392480670 /nfs/dbraw/zinc/48/06/70/392480670.db2.gz VASAOTBGTLUGMC-XJKSGUPXSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782655 392480672 /nfs/dbraw/zinc/48/06/72/392480672.db2.gz VASAOTBGTLUGMC-XJKSGUPXSA-N 2 2 294.389 3.142 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103239 392486609 /nfs/dbraw/zinc/48/66/09/392486609.db2.gz UGWICGXYTAKOBC-HOTGVXAUSA-N 2 2 283.419 3.186 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103239 392486616 /nfs/dbraw/zinc/48/66/16/392486616.db2.gz UGWICGXYTAKOBC-HOTGVXAUSA-N 2 2 283.419 3.186 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152220850 392500525 /nfs/dbraw/zinc/50/05/25/392500525.db2.gz KYRZWMADWWIGHD-KBPBESRZSA-N 2 2 257.381 3.397 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000178582091 392682635 /nfs/dbraw/zinc/68/26/35/392682635.db2.gz HWEXZKRTYQKIPX-NUJGCVRESA-N 2 2 289.467 3.174 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000178582091 392682641 /nfs/dbraw/zinc/68/26/41/392682641.db2.gz HWEXZKRTYQKIPX-NUJGCVRESA-N 2 2 289.467 3.174 20 0 CGADLP Cc1cncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC000372622555 392624942 /nfs/dbraw/zinc/62/49/42/392624942.db2.gz VXYNBXAQRPVIAY-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC000372622555 392624946 /nfs/dbraw/zinc/62/49/46/392624946.db2.gz VXYNBXAQRPVIAY-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP CN(Cc1cn2c([nH+]1)CCCC2)c1cc[nH+]c2ccsc21 ZINC000372991885 392654168 /nfs/dbraw/zinc/65/41/68/392654168.db2.gz UMWDJSAXQIPEJA-UHFFFAOYSA-N 2 2 298.415 3.466 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706689 392661930 /nfs/dbraw/zinc/66/19/30/392661930.db2.gz RGCQDPAKNATSLT-WBVHZDCISA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706689 392661938 /nfs/dbraw/zinc/66/19/38/392661938.db2.gz RGCQDPAKNATSLT-WBVHZDCISA-N 2 2 258.409 3.272 20 0 CGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553938 392767164 /nfs/dbraw/zinc/76/71/64/392767164.db2.gz NODNUNZIWCUOKN-AWEZNQCLSA-N 2 2 296.361 3.052 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553995 392767317 /nfs/dbraw/zinc/76/73/17/392767317.db2.gz OQABGFXDARLELQ-AWEZNQCLSA-N 2 2 264.800 3.104 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647554135 392767043 /nfs/dbraw/zinc/76/70/43/392767043.db2.gz RTHSQMSBMGBTFM-CQSZACIVSA-N 2 2 282.790 3.243 20 0 CGADLP Cc1cccc(C2([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CCC2)c1 ZINC000647802415 392803305 /nfs/dbraw/zinc/80/33/05/392803305.db2.gz KMVNADKFSJKXJZ-ZBFHGGJFSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188953244 392803526 /nfs/dbraw/zinc/80/35/26/392803526.db2.gz HRSRGJHRRFSNBU-ZQIUZPCESA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188953244 392803533 /nfs/dbraw/zinc/80/35/33/392803533.db2.gz HRSRGJHRRFSNBU-ZQIUZPCESA-N 2 2 286.419 3.033 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000647802647 392804631 /nfs/dbraw/zinc/80/46/31/392804631.db2.gz RSTINRTUIIGMKZ-SJORKVTESA-N 2 2 294.398 3.419 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000510697811 392810208 /nfs/dbraw/zinc/81/02/08/392810208.db2.gz VWQUXZOQZITUQT-CQSZACIVSA-N 2 2 296.405 3.361 20 0 CGADLP Oc1ccc([N@H+](CCc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886807 392826386 /nfs/dbraw/zinc/82/63/86/392826386.db2.gz XIZOMINJOVHHOB-KRWDZBQOSA-N 2 2 296.414 3.051 20 0 CGADLP Oc1ccc([N@@H+](CCc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886807 392826392 /nfs/dbraw/zinc/82/63/92/392826392.db2.gz XIZOMINJOVHHOB-KRWDZBQOSA-N 2 2 296.414 3.051 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377787147 392888756 /nfs/dbraw/zinc/88/87/56/392888756.db2.gz SHVQFQHRWLBUIX-HNNXBMFYSA-N 2 2 269.392 3.180 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377787147 392888759 /nfs/dbraw/zinc/88/87/59/392888759.db2.gz SHVQFQHRWLBUIX-HNNXBMFYSA-N 2 2 269.392 3.180 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337995748 392895311 /nfs/dbraw/zinc/89/53/11/392895311.db2.gz PIALKFPSGVOMDU-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337999952 392895553 /nfs/dbraw/zinc/89/55/53/392895553.db2.gz PDXXLDVJOJQCGE-QWHCGFSZSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000337999952 392895558 /nfs/dbraw/zinc/89/55/58/392895558.db2.gz PDXXLDVJOJQCGE-QWHCGFSZSA-N 2 2 294.389 3.112 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000338197671 392902567 /nfs/dbraw/zinc/90/25/67/392902567.db2.gz QQOILJHHKQEFFF-OAHLLOKOSA-N 2 2 282.378 3.272 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000338197671 392902574 /nfs/dbraw/zinc/90/25/74/392902574.db2.gz QQOILJHHKQEFFF-OAHLLOKOSA-N 2 2 282.378 3.272 20 0 CGADLP C[C@H](CC[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429104 392919566 /nfs/dbraw/zinc/91/95/66/392919566.db2.gz INTVZVZNPCRTAP-CABCVRRESA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429104 392919572 /nfs/dbraw/zinc/91/95/72/392919572.db2.gz INTVZVZNPCRTAP-CABCVRRESA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC000380605768 392904408 /nfs/dbraw/zinc/90/44/08/392904408.db2.gz FWRAPTKCADNGCI-UONOGXRCSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC000380605768 392904417 /nfs/dbraw/zinc/90/44/17/392904417.db2.gz FWRAPTKCADNGCI-UONOGXRCSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000380605768 392904425 /nfs/dbraw/zinc/90/44/25/392904425.db2.gz FWRAPTKCADNGCI-UONOGXRCSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000380605768 392904430 /nfs/dbraw/zinc/90/44/30/392904430.db2.gz FWRAPTKCADNGCI-UONOGXRCSA-N 2 2 298.858 3.034 20 0 CGADLP C[C@H](CC[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429066 392919694 /nfs/dbraw/zinc/91/96/94/392919694.db2.gz INTVZVZNPCRTAP-HUUCEWRRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429066 392919704 /nfs/dbraw/zinc/91/97/04/392919704.db2.gz INTVZVZNPCRTAP-HUUCEWRRSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)c3cccc(O)c3)c[nH+]c12 ZINC000192366131 392849019 /nfs/dbraw/zinc/84/90/19/392849019.db2.gz IIFHQVWMVGSTIC-CYBMUJFWSA-N 2 2 281.359 3.199 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000393412056 392934628 /nfs/dbraw/zinc/93/46/28/392934628.db2.gz FKUBJDRCAWVTNK-FQEVSTJZSA-N 2 2 294.442 3.402 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000393412056 392934634 /nfs/dbraw/zinc/93/46/34/392934634.db2.gz FKUBJDRCAWVTNK-FQEVSTJZSA-N 2 2 294.442 3.402 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514083109 542734098 /nfs/dbraw/zinc/73/40/98/542734098.db2.gz JSLXPKCDNHFCGT-ROUUACIJSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339452475 392955961 /nfs/dbraw/zinc/95/59/61/392955961.db2.gz ZLHUAYUFTPRYRS-IWKCEXAMSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339452475 392955965 /nfs/dbraw/zinc/95/59/65/392955965.db2.gz ZLHUAYUFTPRYRS-IWKCEXAMSA-N 2 2 284.447 3.395 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000340162663 392965661 /nfs/dbraw/zinc/96/56/61/392965661.db2.gz DHAIVIKOSRQQRA-WBVHZDCISA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccco2)C[C@H]1c1ccccc1 ZINC000340162663 392965667 /nfs/dbraw/zinc/96/56/67/392965667.db2.gz DHAIVIKOSRQQRA-WBVHZDCISA-N 2 2 270.376 3.205 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399973 393027189 /nfs/dbraw/zinc/02/71/89/393027189.db2.gz ANQYCKVZUGSUFY-KONPQCLYSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000466399973 393027194 /nfs/dbraw/zinc/02/71/94/393027194.db2.gz ANQYCKVZUGSUFY-KONPQCLYSA-N 2 2 272.436 3.171 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCc3ccccc3C2)CCC1 ZINC000648536268 393092158 /nfs/dbraw/zinc/09/21/58/393092158.db2.gz HAZJOPPLDKDXKL-KRWDZBQOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000467414587 393096650 /nfs/dbraw/zinc/09/66/50/393096650.db2.gz VVFADWGBFWPITD-IIDMSEBBSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000467414587 393096658 /nfs/dbraw/zinc/09/66/58/393096658.db2.gz VVFADWGBFWPITD-IIDMSEBBSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C[NH3+] ZINC000347011226 393098599 /nfs/dbraw/zinc/09/85/99/393098599.db2.gz UGUVOGCUAFSNFY-NHYWBVRUSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C[NH3+] ZINC000347011226 393098603 /nfs/dbraw/zinc/09/86/03/393098603.db2.gz UGUVOGCUAFSNFY-NHYWBVRUSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000415024759 393101444 /nfs/dbraw/zinc/10/14/44/393101444.db2.gz YZXZUBWAKMKJOE-STQMWFEESA-N 2 2 272.367 3.318 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000415035418 393105032 /nfs/dbraw/zinc/10/50/32/393105032.db2.gz IWYVQADMOPUGFE-CYBMUJFWSA-N 2 2 279.453 3.031 20 0 CGADLP C1=CC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000245558799 393043680 /nfs/dbraw/zinc/04/36/80/393043680.db2.gz LDUMKQPUNVZPDX-IAGOWNOFSA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000245558799 393043687 /nfs/dbraw/zinc/04/36/87/393043687.db2.gz LDUMKQPUNVZPDX-IAGOWNOFSA-N 2 2 262.441 3.293 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000414735830 393051894 /nfs/dbraw/zinc/05/18/94/393051894.db2.gz HFGIBZCXEBHENX-AWEZNQCLSA-N 2 2 295.858 3.288 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414953459 393061376 /nfs/dbraw/zinc/06/13/76/393061376.db2.gz RSQMBCCSGNDRIY-GXTWGEPZSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414953464 393061628 /nfs/dbraw/zinc/06/16/28/393061628.db2.gz RSQMBCCSGNDRIY-OCCSQVGLSA-N 2 2 287.432 3.040 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000648500336 393068308 /nfs/dbraw/zinc/06/83/08/393068308.db2.gz XVRBKTYOULIATQ-DLBZAZTESA-N 2 2 296.499 3.292 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)co2)cc1 ZINC000414981493 393077542 /nfs/dbraw/zinc/07/75/42/393077542.db2.gz XSMIWEOWZOJKDS-MRXNPFEDSA-N 2 2 299.418 3.128 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415064668 393123854 /nfs/dbraw/zinc/12/38/54/393123854.db2.gz DJPZORQGTCNEIJ-INIZCTEOSA-N 2 2 276.424 3.097 20 0 CGADLP c1ccc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)ccc2c1 ZINC000415073174 393130463 /nfs/dbraw/zinc/13/04/63/393130463.db2.gz YANCAKKBPANMOY-KRWDZBQOSA-N 2 2 254.377 3.072 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415088396 393140160 /nfs/dbraw/zinc/14/01/60/393140160.db2.gz XJJLDIICOBLUGL-SDDRHHMPSA-N 2 2 281.469 3.089 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415090589 393141191 /nfs/dbraw/zinc/14/11/91/393141191.db2.gz YCQZGKXPECACTJ-HFBAOOFYSA-N 2 2 296.817 3.489 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2C(C)C)CC1 ZINC000468551520 393151577 /nfs/dbraw/zinc/15/15/77/393151577.db2.gz DCWZGCRMHYQGGG-IRXDYDNUSA-N 2 2 296.499 3.290 20 0 CGADLP CCn1ccnc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000547828234 393153294 /nfs/dbraw/zinc/15/32/94/393153294.db2.gz AZTLJERPCVWBAL-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP CC[C@H](C)[N@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500168 393222918 /nfs/dbraw/zinc/22/29/18/393222918.db2.gz WSYJUNYBNCPIQH-GOEBONIOSA-N 2 2 292.471 3.351 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500168 393222924 /nfs/dbraw/zinc/22/29/24/393222924.db2.gz WSYJUNYBNCPIQH-GOEBONIOSA-N 2 2 292.471 3.351 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000268925043 393209203 /nfs/dbraw/zinc/20/92/03/393209203.db2.gz KXCCYZBQZQAWLI-PBHICJAKSA-N 2 2 287.407 3.194 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352811411 393209799 /nfs/dbraw/zinc/20/97/99/393209799.db2.gz ULADAGZVHVJISM-NVGVWMPQSA-N 2 2 294.389 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352811411 393209803 /nfs/dbraw/zinc/20/98/03/393209803.db2.gz ULADAGZVHVJISM-NVGVWMPQSA-N 2 2 294.389 3.488 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000269006863 393215175 /nfs/dbraw/zinc/21/51/75/393215175.db2.gz LGPVODYGLMRBSI-XMZIXOGTSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000269006863 393215179 /nfs/dbraw/zinc/21/51/79/393215179.db2.gz LGPVODYGLMRBSI-XMZIXOGTSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471597336 393285322 /nfs/dbraw/zinc/28/53/22/393285322.db2.gz DKHNGYOPQJNNQW-OHFALNGGSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516071 393294362 /nfs/dbraw/zinc/29/43/62/393294362.db2.gz DLGCJXJAZSZJKP-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516071 393294370 /nfs/dbraw/zinc/29/43/70/393294370.db2.gz DLGCJXJAZSZJKP-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1Cl ZINC000275516071 393294375 /nfs/dbraw/zinc/29/43/75/393294375.db2.gz DLGCJXJAZSZJKP-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000275516071 393294381 /nfs/dbraw/zinc/29/43/81/393294381.db2.gz DLGCJXJAZSZJKP-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000277043791 393304319 /nfs/dbraw/zinc/30/43/19/393304319.db2.gz BYCSJFHJBXJQFL-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CO[C@@H](C)C3)ccc2n1C1CC1 ZINC000647209399 393388951 /nfs/dbraw/zinc/38/89/51/393388951.db2.gz HHHSOMJUENRVTP-GXTWGEPZSA-N 2 2 299.418 3.201 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475334878 393393421 /nfs/dbraw/zinc/39/34/21/393393421.db2.gz WCJXQRVKTNSAMG-IENTYSSBSA-N 2 2 290.373 3.037 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC1(C)C ZINC000417351571 393349486 /nfs/dbraw/zinc/34/94/86/393349486.db2.gz SDTIJJJIRCWFJI-XQQFMLRXSA-N 2 2 261.413 3.071 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC1(C)C ZINC000417351571 393349497 /nfs/dbraw/zinc/34/94/97/393349497.db2.gz SDTIJJJIRCWFJI-XQQFMLRXSA-N 2 2 261.413 3.071 20 0 CGADLP CSC1(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134002 393360655 /nfs/dbraw/zinc/36/06/55/393360655.db2.gz YADNOFUUIUSZFO-UONOGXRCSA-N 2 2 279.453 3.052 20 0 CGADLP CSC1(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134002 393360657 /nfs/dbraw/zinc/36/06/57/393360657.db2.gz YADNOFUUIUSZFO-UONOGXRCSA-N 2 2 279.453 3.052 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@H]1[NH3+] ZINC000649416714 393417140 /nfs/dbraw/zinc/41/71/40/393417140.db2.gz JKWGMJLDTJEFOA-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3C)o2)CC[C@H]1[NH3+] ZINC000649416714 393417143 /nfs/dbraw/zinc/41/71/43/393417143.db2.gz JKWGMJLDTJEFOA-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647262151 393420754 /nfs/dbraw/zinc/42/07/54/393420754.db2.gz FTQZLUWLUFFGQT-UHFFFAOYSA-N 2 2 279.387 3.283 20 0 CGADLP Cc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)s1 ZINC000647262230 393421223 /nfs/dbraw/zinc/42/12/23/393421223.db2.gz MBLVCMZGBYBAEB-UHFFFAOYSA-N 2 2 285.416 3.345 20 0 CGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C ZINC000479864206 393434503 /nfs/dbraw/zinc/43/45/03/393434503.db2.gz IHTAWDSGJYNYGO-GOEBONIOSA-N 2 2 262.441 3.184 20 0 CGADLP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420409548 393484232 /nfs/dbraw/zinc/48/42/32/393484232.db2.gz XHPXEQIWJLFOGU-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420409548 393484237 /nfs/dbraw/zinc/48/42/37/393484237.db2.gz XHPXEQIWJLFOGU-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@@H+]1C ZINC000356445536 393446884 /nfs/dbraw/zinc/44/68/84/393446884.db2.gz ZTUDUFHCFNRFHZ-IAQYHMDHSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@H+]1C ZINC000356445536 393446887 /nfs/dbraw/zinc/44/68/87/393446887.db2.gz ZTUDUFHCFNRFHZ-IAQYHMDHSA-N 2 2 284.806 3.094 20 0 CGADLP FC(F)(F)CCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420288518 393450419 /nfs/dbraw/zinc/45/04/19/393450419.db2.gz IYJICVFRAFXMSC-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP CC[N@H+](C[C@@H](C)[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000420303336 393457096 /nfs/dbraw/zinc/45/70/96/393457096.db2.gz NAQCNAVDLMFIFK-CZUORRHYSA-N 2 2 266.404 3.062 20 0 CGADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000420303336 393457100 /nfs/dbraw/zinc/45/71/00/393457100.db2.gz NAQCNAVDLMFIFK-CZUORRHYSA-N 2 2 266.404 3.062 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CCCCC2)CC1 ZINC000649505937 393462270 /nfs/dbraw/zinc/46/22/70/393462270.db2.gz XHCJYEMABJRSGQ-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CCCCC2)CC1 ZINC000649505937 393462274 /nfs/dbraw/zinc/46/22/74/393462274.db2.gz XHCJYEMABJRSGQ-OAHLLOKOSA-N 2 2 250.430 3.127 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000420327838 393468255 /nfs/dbraw/zinc/46/82/55/393468255.db2.gz ZGVBLPWVNPKGCR-WCQYABFASA-N 2 2 289.448 3.459 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000420327838 393468264 /nfs/dbraw/zinc/46/82/64/393468264.db2.gz ZGVBLPWVNPKGCR-WCQYABFASA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378785 393478344 /nfs/dbraw/zinc/47/83/44/393478344.db2.gz XFZYGBLMHPMXQY-SUNKGSAMSA-N 2 2 268.351 3.100 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000649620052 393515608 /nfs/dbraw/zinc/51/56/08/393515608.db2.gz KDOWDSMKAACPNO-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000649620052 393515611 /nfs/dbraw/zinc/51/56/11/393515611.db2.gz KDOWDSMKAACPNO-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000488447409 393517296 /nfs/dbraw/zinc/51/72/96/393517296.db2.gz JBKYGVLPMKRMGX-IJEWVQPXSA-N 2 2 260.425 3.361 20 0 CGADLP C[C@H]1C[C@@H](C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966733 393567798 /nfs/dbraw/zinc/56/77/98/393567798.db2.gz ANOPLUWUHWDPRK-IRXDYDNUSA-N 2 2 296.499 3.388 20 0 CGADLP C[C@H]1C[C@@H](C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966733 393567803 /nfs/dbraw/zinc/56/78/03/393567803.db2.gz ANOPLUWUHWDPRK-IRXDYDNUSA-N 2 2 296.499 3.388 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cscc2Cl)CCCCC1 ZINC000666802210 542817087 /nfs/dbraw/zinc/81/70/87/542817087.db2.gz DWZJIVMGTVJJLV-UHFFFAOYSA-N 2 2 258.818 3.153 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360858720 393600071 /nfs/dbraw/zinc/60/00/71/393600071.db2.gz LYUMXALHRTYIBB-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360858720 393600073 /nfs/dbraw/zinc/60/00/73/393600073.db2.gz LYUMXALHRTYIBB-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000360897621 393610830 /nfs/dbraw/zinc/61/08/30/393610830.db2.gz MSOLSZFZOPYORS-KBMXLJTQSA-N 2 2 276.424 3.076 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000360897621 393610833 /nfs/dbraw/zinc/61/08/33/393610833.db2.gz MSOLSZFZOPYORS-KBMXLJTQSA-N 2 2 276.424 3.076 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC000360988416 393631098 /nfs/dbraw/zinc/63/10/98/393631098.db2.gz YUIQXVTVDFUPQU-GXTWGEPZSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000360988416 393631103 /nfs/dbraw/zinc/63/11/03/393631103.db2.gz YUIQXVTVDFUPQU-GXTWGEPZSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000361011773 393640293 /nfs/dbraw/zinc/64/02/93/393640293.db2.gz VEYNWERSHYWZGD-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCC[NH2+]C1 ZINC000423195129 393653479 /nfs/dbraw/zinc/65/34/79/393653479.db2.gz SFHGGJFLHQQOHT-GUYCJALGSA-N 2 2 283.419 3.195 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423302013 393660080 /nfs/dbraw/zinc/66/00/80/393660080.db2.gz UZWIOAXONBNWBX-ZBFHGGJFSA-N 2 2 276.424 3.316 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1OC ZINC000423296340 393660329 /nfs/dbraw/zinc/66/03/29/393660329.db2.gz GRHQAVHYAKVTFK-UKRRQHHQSA-N 2 2 264.413 3.253 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000491033728 393663693 /nfs/dbraw/zinc/66/36/93/393663693.db2.gz FVHMSCLVPWATLI-QWQRMKEZSA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000491033728 393663697 /nfs/dbraw/zinc/66/36/97/393663697.db2.gz FVHMSCLVPWATLI-QWQRMKEZSA-N 2 2 272.436 3.382 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc(C)c1F ZINC000423571596 393673128 /nfs/dbraw/zinc/67/31/28/393673128.db2.gz XUQLUPJXXAAMCD-HIFRSBDPSA-N 2 2 264.388 3.235 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000666948189 542828373 /nfs/dbraw/zinc/82/83/73/542828373.db2.gz UREOXHCMZMMMSZ-JONQDZQNSA-N 2 2 296.817 3.266 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504978 393759655 /nfs/dbraw/zinc/75/96/55/393759655.db2.gz ZNRKERYHSGQGII-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443504978 393759659 /nfs/dbraw/zinc/75/96/59/393759659.db2.gz ZNRKERYHSGQGII-NWDGAFQWSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335631 393878475 /nfs/dbraw/zinc/87/84/75/393878475.db2.gz LUBOKZMDBVONIK-RFGFWPKPSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335631 393878482 /nfs/dbraw/zinc/87/84/82/393878482.db2.gz LUBOKZMDBVONIK-RFGFWPKPSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370136 393879383 /nfs/dbraw/zinc/87/93/83/393879383.db2.gz IQPCBCNVYDQFJU-XNGJBWTFSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370136 393879389 /nfs/dbraw/zinc/87/93/89/393879389.db2.gz IQPCBCNVYDQFJU-XNGJBWTFSA-N 2 2 276.399 3.302 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000446851124 393862654 /nfs/dbraw/zinc/86/26/54/393862654.db2.gz AUSHXNVIODMPRH-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000446851124 393862657 /nfs/dbraw/zinc/86/26/57/393862657.db2.gz AUSHXNVIODMPRH-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995707 542833865 /nfs/dbraw/zinc/83/38/65/542833865.db2.gz XAZFVVOQQQNJOY-ZDUSSCGKSA-N 2 2 282.790 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C[N@@H+]1C1CC1 ZINC000449595761 393916840 /nfs/dbraw/zinc/91/68/40/393916840.db2.gz VJGKGZYCGWAYHD-RDTXWAMCSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C[N@H+]1C1CC1 ZINC000449595761 393916844 /nfs/dbraw/zinc/91/68/44/393916844.db2.gz VJGKGZYCGWAYHD-RDTXWAMCSA-N 2 2 284.447 3.149 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476807 393999475 /nfs/dbraw/zinc/99/94/75/393999475.db2.gz RUGUHBBUXQHODU-IXDOHACOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476807 393999478 /nfs/dbraw/zinc/99/94/78/393999478.db2.gz RUGUHBBUXQHODU-IXDOHACOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476807 393999484 /nfs/dbraw/zinc/99/94/84/393999484.db2.gz RUGUHBBUXQHODU-IXDOHACOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000450476807 393999486 /nfs/dbraw/zinc/99/94/86/393999486.db2.gz RUGUHBBUXQHODU-IXDOHACOSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[C@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488684 394004495 /nfs/dbraw/zinc/00/44/95/394004495.db2.gz WDSZPKWWBXVUKT-JKSUJKDBSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488684 394004497 /nfs/dbraw/zinc/00/44/97/394004497.db2.gz WDSZPKWWBXVUKT-JKSUJKDBSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450488684 394004499 /nfs/dbraw/zinc/00/44/99/394004499.db2.gz WDSZPKWWBXVUKT-JKSUJKDBSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450488684 394004501 /nfs/dbraw/zinc/00/45/01/394004501.db2.gz WDSZPKWWBXVUKT-JKSUJKDBSA-N 2 2 252.446 3.227 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450503440 394007204 /nfs/dbraw/zinc/00/72/04/394007204.db2.gz XNVRQXDKDQOIDV-ZFWWWQNUSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450503440 394007206 /nfs/dbraw/zinc/00/72/06/394007206.db2.gz XNVRQXDKDQOIDV-ZFWWWQNUSA-N 2 2 296.361 3.360 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000451036558 394040956 /nfs/dbraw/zinc/04/09/56/394040956.db2.gz GCNQLOYLOVFHDW-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000451036558 394040960 /nfs/dbraw/zinc/04/09/60/394040960.db2.gz GCNQLOYLOVFHDW-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000451036558 394040963 /nfs/dbraw/zinc/04/09/63/394040963.db2.gz GCNQLOYLOVFHDW-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000451036558 394040966 /nfs/dbraw/zinc/04/09/66/394040966.db2.gz GCNQLOYLOVFHDW-SJORKVTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640432 394032997 /nfs/dbraw/zinc/03/29/97/394032997.db2.gz MDEZFZPISCLRMM-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640432 394032999 /nfs/dbraw/zinc/03/29/99/394032999.db2.gz MDEZFZPISCLRMM-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640432 394033002 /nfs/dbraw/zinc/03/30/02/394033002.db2.gz MDEZFZPISCLRMM-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000450640432 394033005 /nfs/dbraw/zinc/03/30/05/394033005.db2.gz MDEZFZPISCLRMM-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCCC[C@H](C)C1 ZINC000450768701 394035662 /nfs/dbraw/zinc/03/56/62/394035662.db2.gz DGVGMEXQZYYGRG-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCCC[C@H](C)C1 ZINC000450768701 394035665 /nfs/dbraw/zinc/03/56/65/394035665.db2.gz DGVGMEXQZYYGRG-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCCC[C@H](C)C1 ZINC000450768701 394035666 /nfs/dbraw/zinc/03/56/66/394035666.db2.gz DGVGMEXQZYYGRG-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCCC[C@H](C)C1 ZINC000450768701 394035669 /nfs/dbraw/zinc/03/56/69/394035669.db2.gz DGVGMEXQZYYGRG-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453115759 394176839 /nfs/dbraw/zinc/17/68/39/394176839.db2.gz SPVDYVJBTJKZTB-AEFFLSMTSA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453115759 394176841 /nfs/dbraw/zinc/17/68/41/394176841.db2.gz SPVDYVJBTJKZTB-AEFFLSMTSA-N 2 2 289.467 3.257 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000453070126 394160666 /nfs/dbraw/zinc/16/06/66/394160666.db2.gz ZYUPCUGPEXRXOY-DLBZAZTESA-N 2 2 289.467 3.257 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000453070126 394160670 /nfs/dbraw/zinc/16/06/70/394160670.db2.gz ZYUPCUGPEXRXOY-DLBZAZTESA-N 2 2 289.467 3.257 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503732 542879955 /nfs/dbraw/zinc/87/99/55/542879955.db2.gz VXGAXRPDCCBXGJ-QGZVFWFLSA-N 2 2 281.403 3.475 20 0 CGADLP c1coc(C[N@H+](Cc2c[nH+]c3n2CCC3)C2CCCC2)c1 ZINC000667500167 542879985 /nfs/dbraw/zinc/87/99/85/542879985.db2.gz GPEIZQWFBLCBDF-UHFFFAOYSA-N 2 2 285.391 3.367 20 0 CGADLP c1coc(C[N@@H+](Cc2c[nH+]c3n2CCC3)C2CCCC2)c1 ZINC000667500167 542879987 /nfs/dbraw/zinc/87/99/87/542879987.db2.gz GPEIZQWFBLCBDF-UHFFFAOYSA-N 2 2 285.391 3.367 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)c[nH+]1 ZINC000667587510 542894276 /nfs/dbraw/zinc/89/42/76/542894276.db2.gz VGOMOYNWGLMBOD-AWEZNQCLSA-N 2 2 298.415 3.330 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)n1C ZINC000667590223 542895096 /nfs/dbraw/zinc/89/50/96/542895096.db2.gz PAGYIEQAWFNIIF-KRWDZBQOSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2ccccc2C)n1C ZINC000667590223 542895097 /nfs/dbraw/zinc/89/50/97/542895097.db2.gz PAGYIEQAWFNIIF-KRWDZBQOSA-N 2 2 283.419 3.244 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533352 542885320 /nfs/dbraw/zinc/88/53/20/542885320.db2.gz OOQWHMUIYIEMSU-INIZCTEOSA-N 2 2 299.418 3.496 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533352 542885325 /nfs/dbraw/zinc/88/53/25/542885325.db2.gz OOQWHMUIYIEMSU-INIZCTEOSA-N 2 2 299.418 3.496 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860075 542938542 /nfs/dbraw/zinc/93/85/42/542938542.db2.gz GFWKNBJVNHOWIB-WCVJEAGWSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860075 542938545 /nfs/dbraw/zinc/93/85/45/542938545.db2.gz GFWKNBJVNHOWIB-WCVJEAGWSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000668154814 542977424 /nfs/dbraw/zinc/97/74/24/542977424.db2.gz WYFSFVDNTSYNIA-XIRDDKMYSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CC2 ZINC000668616798 543035968 /nfs/dbraw/zinc/03/59/68/543035968.db2.gz QVEWHFIOYJMYMO-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668747588 543054914 /nfs/dbraw/zinc/05/49/14/543054914.db2.gz ICIAISRRFFEUDR-UHFFFAOYSA-N 3 2 277.456 3.033 20 0 CGADLP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668747588 543054917 /nfs/dbraw/zinc/05/49/17/543054917.db2.gz ICIAISRRFFEUDR-UHFFFAOYSA-N 3 2 277.456 3.033 20 0 CGADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000669681823 543116784 /nfs/dbraw/zinc/11/67/84/543116784.db2.gz LBHGJBAFIWLTFN-BHIYHBOVSA-N 2 2 299.462 3.182 20 0 CGADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000669681823 543116785 /nfs/dbraw/zinc/11/67/85/543116785.db2.gz LBHGJBAFIWLTFN-BHIYHBOVSA-N 2 2 299.462 3.182 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C ZINC000670270263 543150068 /nfs/dbraw/zinc/15/00/68/543150068.db2.gz MAUDQNWPHKPPKH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C(C)(C)C ZINC000670270263 543150070 /nfs/dbraw/zinc/15/00/70/543150070.db2.gz MAUDQNWPHKPPKH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000671708570 543179430 /nfs/dbraw/zinc/17/94/30/543179430.db2.gz CJYMTRJXUZTUOM-BGTMTDRBSA-N 2 2 292.373 3.052 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000671708570 543179431 /nfs/dbraw/zinc/17/94/31/543179431.db2.gz CJYMTRJXUZTUOM-BGTMTDRBSA-N 2 2 292.373 3.052 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000674049547 543265474 /nfs/dbraw/zinc/26/54/74/543265474.db2.gz QHCYTPCDZVMEHA-CJNGLKHVSA-N 2 2 269.392 3.092 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000043391256 397616255 /nfs/dbraw/zinc/61/62/55/397616255.db2.gz WYVAGSKKHZEYPD-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000043391256 397616258 /nfs/dbraw/zinc/61/62/58/397616258.db2.gz WYVAGSKKHZEYPD-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000390763037 397692507 /nfs/dbraw/zinc/69/25/07/397692507.db2.gz CBYCSFHEXWYYMN-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390763037 397692508 /nfs/dbraw/zinc/69/25/08/397692508.db2.gz CBYCSFHEXWYYMN-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP [NH3+]CC1(CCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000650302560 397813698 /nfs/dbraw/zinc/81/36/98/397813698.db2.gz QRZSXOPZRRFMFR-UHFFFAOYSA-N 2 2 275.783 3.429 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2ccsc21)[C@@H]1CCC[NH2+]1 ZINC000650740423 397904443 /nfs/dbraw/zinc/90/44/43/397904443.db2.gz MCZLYYMLFOCDLJ-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP CC[C@@H](OCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742177 397905084 /nfs/dbraw/zinc/90/50/84/397905084.db2.gz SINOBCWFLJOGTE-KBAYOESNSA-N 2 2 290.451 3.275 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000674758941 543295792 /nfs/dbraw/zinc/29/57/92/543295792.db2.gz VUFTUXDVAMDNPY-CYBMUJFWSA-N 2 2 295.390 3.063 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000735491278 572726167 /nfs/dbraw/zinc/72/61/67/572726167.db2.gz DWXFZKHLFWQXSD-QLFBSQMISA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000735491278 572726169 /nfs/dbraw/zinc/72/61/69/572726169.db2.gz DWXFZKHLFWQXSD-QLFBSQMISA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000735491278 572726173 /nfs/dbraw/zinc/72/61/73/572726173.db2.gz DWXFZKHLFWQXSD-QLFBSQMISA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000735491278 572726176 /nfs/dbraw/zinc/72/61/76/572726176.db2.gz DWXFZKHLFWQXSD-QLFBSQMISA-N 2 2 268.521 3.201 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000675765553 543361606 /nfs/dbraw/zinc/36/16/06/543361606.db2.gz KLUAPNMDEMMQQI-MSOLQXFVSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000675765553 543361608 /nfs/dbraw/zinc/36/16/08/543361608.db2.gz KLUAPNMDEMMQQI-MSOLQXFVSA-N 2 2 274.452 3.246 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766841 543362394 /nfs/dbraw/zinc/36/23/94/543362394.db2.gz PTUOQAYDLSPUNX-UKRRQHHQSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766841 543362397 /nfs/dbraw/zinc/36/23/97/543362397.db2.gz PTUOQAYDLSPUNX-UKRRQHHQSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768397 543363058 /nfs/dbraw/zinc/36/30/58/543363058.db2.gz XGYXARSFUQWKCT-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768397 543363060 /nfs/dbraw/zinc/36/30/60/543363060.db2.gz XGYXARSFUQWKCT-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768369 543363123 /nfs/dbraw/zinc/36/31/23/543363123.db2.gz WSNFVMZOGOVIBH-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768369 543363124 /nfs/dbraw/zinc/36/31/24/543363124.db2.gz WSNFVMZOGOVIBH-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768366 543363306 /nfs/dbraw/zinc/36/33/06/543363306.db2.gz WSNFVMZOGOVIBH-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768366 543363307 /nfs/dbraw/zinc/36/33/07/543363307.db2.gz WSNFVMZOGOVIBH-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744417 543359864 /nfs/dbraw/zinc/35/98/64/543359864.db2.gz VWZSTDGRUPYPBN-RHSMWYFYSA-N 2 2 272.436 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744417 543359867 /nfs/dbraw/zinc/35/98/67/543359867.db2.gz VWZSTDGRUPYPBN-RHSMWYFYSA-N 2 2 272.436 3.037 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675834478 543368641 /nfs/dbraw/zinc/36/86/41/543368641.db2.gz UUCBUHUBLHOZIO-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675834478 543368642 /nfs/dbraw/zinc/36/86/42/543368642.db2.gz UUCBUHUBLHOZIO-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP CCC(CC)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919230 543373428 /nfs/dbraw/zinc/37/34/28/543373428.db2.gz LMMAPBGYQIDVFM-MRXNPFEDSA-N 2 2 271.408 3.482 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749637 543464142 /nfs/dbraw/zinc/46/41/42/543464142.db2.gz PEVBQPNOXDDVDW-DJIMGWMZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749637 543464143 /nfs/dbraw/zinc/46/41/43/543464143.db2.gz PEVBQPNOXDDVDW-DJIMGWMZSA-N 2 2 272.436 3.285 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000678001193 543475583 /nfs/dbraw/zinc/47/55/83/543475583.db2.gz GVFMRUVRWGGGCH-MRXNPFEDSA-N 2 2 294.402 3.244 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000678001193 543475585 /nfs/dbraw/zinc/47/55/85/543475585.db2.gz GVFMRUVRWGGGCH-MRXNPFEDSA-N 2 2 294.402 3.244 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235489 543497925 /nfs/dbraw/zinc/49/79/25/543497925.db2.gz UUGNCTFOVFEDDY-QGZVFWFLSA-N 2 2 299.418 3.346 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000678235489 543497927 /nfs/dbraw/zinc/49/79/27/543497927.db2.gz UUGNCTFOVFEDDY-QGZVFWFLSA-N 2 2 299.418 3.346 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)s1 ZINC000678607660 543544963 /nfs/dbraw/zinc/54/49/63/543544963.db2.gz OHTKBFYGQCAWIJ-NSHDSACASA-N 2 2 275.421 3.357 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000678763074 543554166 /nfs/dbraw/zinc/55/41/66/543554166.db2.gz DANNDQHOAVCTRC-RHSMWYFYSA-N 2 2 269.392 3.186 20 0 CGADLP CO[C@@H](C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922903 543571641 /nfs/dbraw/zinc/57/16/41/543571641.db2.gz VCSQYQJOAALZPG-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H](C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922903 543571645 /nfs/dbraw/zinc/57/16/45/543571645.db2.gz VCSQYQJOAALZPG-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1(CC)CC ZINC000678928759 543572970 /nfs/dbraw/zinc/57/29/70/543572970.db2.gz UPYVCJZYRCSMAK-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1(CC)CC ZINC000678928759 543572973 /nfs/dbraw/zinc/57/29/73/543572973.db2.gz UPYVCJZYRCSMAK-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423186028 292205604 /nfs/dbraw/zinc/20/56/04/292205604.db2.gz JUOQUSZOUDKHFA-SJORKVTESA-N 2 2 258.409 3.178 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417352987 292215180 /nfs/dbraw/zinc/21/51/80/292215180.db2.gz HOKYBALHNYAQGY-DLBZAZTESA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000247979856 292246646 /nfs/dbraw/zinc/24/66/46/292246646.db2.gz MHJBXDWAGPXVRE-YDHLFZDLSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352683852 292247868 /nfs/dbraw/zinc/24/78/68/292247868.db2.gz LSLOSSJFFNJVBI-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000352683852 292247869 /nfs/dbraw/zinc/24/78/69/292247869.db2.gz LSLOSSJFFNJVBI-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000556873569 289416196 /nfs/dbraw/zinc/41/61/96/289416196.db2.gz WWTYHIVWVJQOPX-CABCVRRESA-N 2 2 261.413 3.298 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000067186546 165038452 /nfs/dbraw/zinc/03/84/52/165038452.db2.gz FTIOSEPUCKFAFK-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000067186546 165038455 /nfs/dbraw/zinc/03/84/55/165038455.db2.gz FTIOSEPUCKFAFK-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC000086510096 165183999 /nfs/dbraw/zinc/18/39/99/165183999.db2.gz YBDTXWIRCIKVNA-NSHDSACASA-N 2 2 267.442 3.057 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000092253985 165286407 /nfs/dbraw/zinc/28/64/07/165286407.db2.gz MPBSXQHVWXSIKY-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000092253985 165286409 /nfs/dbraw/zinc/28/64/09/165286409.db2.gz MPBSXQHVWXSIKY-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000092253985 165286410 /nfs/dbraw/zinc/28/64/10/165286410.db2.gz MPBSXQHVWXSIKY-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000092253985 165286412 /nfs/dbraw/zinc/28/64/12/165286412.db2.gz MPBSXQHVWXSIKY-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)c[nH+]c2c1 ZINC000092485584 165297465 /nfs/dbraw/zinc/29/74/65/165297465.db2.gz HWXJXXYXHRVERI-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccn2c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)c[nH+]c2c1 ZINC000092485584 165297471 /nfs/dbraw/zinc/29/74/71/165297471.db2.gz HWXJXXYXHRVERI-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000094879626 165397005 /nfs/dbraw/zinc/39/70/05/165397005.db2.gz LYWITLXKFRPDKD-OAHLLOKOSA-N 2 2 272.417 3.033 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(C)cs1 ZINC000119080201 287164760 /nfs/dbraw/zinc/16/47/60/287164760.db2.gz DIMZOOOEMOBUGD-AWEZNQCLSA-N 2 2 281.469 3.368 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020361815 171160198 /nfs/dbraw/zinc/16/01/98/171160198.db2.gz UZPIFPWIECVPSY-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020361815 171160199 /nfs/dbraw/zinc/16/01/99/171160199.db2.gz UZPIFPWIECVPSY-QGZVFWFLSA-N 2 2 260.425 3.431 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000020439323 171203450 /nfs/dbraw/zinc/20/34/50/171203450.db2.gz XOWZBZMZYHZBPC-ZDUSSCGKSA-N 2 2 264.413 3.420 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506082 171228303 /nfs/dbraw/zinc/22/83/03/171228303.db2.gz OVCPOCFJGJYFBX-UHFFFAOYSA-N 2 2 251.418 3.324 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000020556368 171250053 /nfs/dbraw/zinc/25/00/53/171250053.db2.gz LEWKJGAXKRRNRR-HNNXBMFYSA-N 2 2 266.816 3.477 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000021806997 171327898 /nfs/dbraw/zinc/32/78/98/171327898.db2.gz LCBIBPNWNMKEIY-KRWDZBQOSA-N 2 2 260.425 3.459 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000285001932 196175351 /nfs/dbraw/zinc/17/53/51/196175351.db2.gz YVHSZKKXKFOBQB-MSOLQXFVSA-N 2 2 297.402 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000285001932 196175353 /nfs/dbraw/zinc/17/53/53/196175353.db2.gz YVHSZKKXKFOBQB-MSOLQXFVSA-N 2 2 297.402 3.016 20 0 CGADLP CCC1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000035259021 172092215 /nfs/dbraw/zinc/09/22/15/172092215.db2.gz SEKVOPQKVCTKBW-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)[NH+](C)C ZINC000126521912 287266947 /nfs/dbraw/zinc/26/69/47/287266947.db2.gz GJRQXJLLXJVOPD-IRXDYDNUSA-N 2 2 294.870 3.373 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256047 173066882 /nfs/dbraw/zinc/06/68/82/173066882.db2.gz BPJPFFUCUQGSAA-ZDUSSCGKSA-N 2 2 272.392 3.486 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000037256156 173067116 /nfs/dbraw/zinc/06/71/16/173067116.db2.gz JDHFKCSITBHYND-SNVBAGLBSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037424662 173199270 /nfs/dbraw/zinc/19/92/70/173199270.db2.gz LYHAXTCPYIBDBN-SNVBAGLBSA-N 2 2 284.190 3.368 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(C)CC1 ZINC000126968810 287277541 /nfs/dbraw/zinc/27/75/41/287277541.db2.gz HNQBJXZHIGRTCS-LBPRGKRZSA-N 2 2 273.355 3.290 20 0 CGADLP CCCC1CCC([N@H+](CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000071314456 176121067 /nfs/dbraw/zinc/12/10/67/176121067.db2.gz DTKMPYARRLQCHX-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([N@@H+](CCC)[C@@H]2CC[NH2+]C2)CC1 ZINC000071314456 176121068 /nfs/dbraw/zinc/12/10/68/176121068.db2.gz DTKMPYARRLQCHX-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C[N@@H+]1C1CC1 ZINC000286536738 196634942 /nfs/dbraw/zinc/63/49/42/196634942.db2.gz OALYMPAKXWTHJS-DOMZBBRYSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C[N@H+]1C1CC1 ZINC000286536738 196634944 /nfs/dbraw/zinc/63/49/44/196634944.db2.gz OALYMPAKXWTHJS-DOMZBBRYSA-N 2 2 270.376 3.148 20 0 CGADLP Cc1ccc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(C)[nH+]1 ZINC000679125814 543593915 /nfs/dbraw/zinc/59/39/15/543593915.db2.gz BCRVRMNKRUBVLS-CQSZACIVSA-N 2 2 293.374 3.452 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000679216441 543600268 /nfs/dbraw/zinc/60/02/68/543600268.db2.gz VJCIZOSTZNIPNH-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000679216441 543600272 /nfs/dbraw/zinc/60/02/72/543600272.db2.gz VJCIZOSTZNIPNH-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000679339390 543622420 /nfs/dbraw/zinc/62/24/20/543622420.db2.gz JFRBSQOIDKABJD-JLJPHGGASA-N 2 2 298.434 3.204 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000679339390 543622421 /nfs/dbraw/zinc/62/24/21/543622421.db2.gz JFRBSQOIDKABJD-JLJPHGGASA-N 2 2 298.434 3.204 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000679318632 543616830 /nfs/dbraw/zinc/61/68/30/543616830.db2.gz ORVOHMDUFKUBOL-QGZVFWFLSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000679318632 543616832 /nfs/dbraw/zinc/61/68/32/543616832.db2.gz ORVOHMDUFKUBOL-QGZVFWFLSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130448768 287355969 /nfs/dbraw/zinc/35/59/69/287355969.db2.gz FXWPUDHEJJAVHR-PWSUYJOCSA-N 2 2 282.790 3.194 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000131039192 287369256 /nfs/dbraw/zinc/36/92/56/287369256.db2.gz WQNSFJVVHRGQMG-ZBFHGGJFSA-N 2 2 260.425 3.080 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000131039192 287369260 /nfs/dbraw/zinc/36/92/60/287369260.db2.gz WQNSFJVVHRGQMG-ZBFHGGJFSA-N 2 2 260.425 3.080 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000131237157 287374165 /nfs/dbraw/zinc/37/41/65/287374165.db2.gz GMLPBJOGWGBXOT-CYBMUJFWSA-N 2 2 250.386 3.051 20 0 CGADLP c1cn(CC[N@@H+]2CCCC3(C2)CCCCCC3)c[nH+]1 ZINC000131507472 287382175 /nfs/dbraw/zinc/38/21/75/287382175.db2.gz AFZACEGSOAHPHY-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP c1cn(CC[N@H+]2CCCC3(C2)CCCCCC3)c[nH+]1 ZINC000131507472 287382178 /nfs/dbraw/zinc/38/21/78/287382178.db2.gz AFZACEGSOAHPHY-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684114206 543968209 /nfs/dbraw/zinc/96/82/09/543968209.db2.gz VBBFUTSCGJORHH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684114206 543968211 /nfs/dbraw/zinc/96/82/11/543968211.db2.gz VBBFUTSCGJORHH-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000684022236 543960944 /nfs/dbraw/zinc/96/09/44/543960944.db2.gz ICWGVFTUWDXVKU-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000684022236 543960947 /nfs/dbraw/zinc/96/09/47/543960947.db2.gz ICWGVFTUWDXVKU-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]c2ccccc12 ZINC000684026747 543961957 /nfs/dbraw/zinc/96/19/57/543961957.db2.gz JMELRYFORBKJDJ-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]c2ccccc12 ZINC000684026747 543961959 /nfs/dbraw/zinc/96/19/59/543961959.db2.gz JMELRYFORBKJDJ-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP Cc1ccc(CCCNc2c[nH+]ccc2-n2cccn2)c[nH+]1 ZINC000684389191 543991453 /nfs/dbraw/zinc/99/14/53/543991453.db2.gz KWVMXMIQWSLLEQ-UHFFFAOYSA-N 2 2 293.374 3.015 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000684394846 543992963 /nfs/dbraw/zinc/99/29/63/543992963.db2.gz LYGHLYTVIHBYJB-SPUZQDLCSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458587 544073240 /nfs/dbraw/zinc/07/32/40/544073240.db2.gz YEXVYKSTDWFAKM-RBUKOAKNSA-N 2 2 284.447 3.277 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458587 544073242 /nfs/dbraw/zinc/07/32/42/544073242.db2.gz YEXVYKSTDWFAKM-RBUKOAKNSA-N 2 2 284.447 3.277 20 0 CGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684963782 544047204 /nfs/dbraw/zinc/04/72/04/544047204.db2.gz MROVUPIHVBNKMM-JCYILVPMSA-N 2 2 285.435 3.066 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631847 544091353 /nfs/dbraw/zinc/09/13/53/544091353.db2.gz NAGXQPWMXNTGOX-SJORKVTESA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631847 544091357 /nfs/dbraw/zinc/09/13/57/544091357.db2.gz NAGXQPWMXNTGOX-SJORKVTESA-N 2 2 290.451 3.054 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000685572491 544085640 /nfs/dbraw/zinc/08/56/40/544085640.db2.gz FZJSGAOCMMPMSY-WFASDCNBSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000685572491 544085642 /nfs/dbraw/zinc/08/56/42/544085642.db2.gz FZJSGAOCMMPMSY-WFASDCNBSA-N 2 2 291.439 3.034 20 0 CGADLP FCCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367136551 227245110 /nfs/dbraw/zinc/24/51/10/227245110.db2.gz ATSKPLJVCAUQDD-CQSZACIVSA-N 2 2 279.403 3.149 20 0 CGADLP FCCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367136551 227245114 /nfs/dbraw/zinc/24/51/14/227245114.db2.gz ATSKPLJVCAUQDD-CQSZACIVSA-N 2 2 279.403 3.149 20 0 CGADLP CCn1c[nH+]cc1CNc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000417971796 227299323 /nfs/dbraw/zinc/29/93/23/227299323.db2.gz STUDHFVFFDHGKB-UHFFFAOYSA-N 2 2 298.434 3.152 20 0 CGADLP CCn1c[nH+]cc1CNc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000417971796 227299327 /nfs/dbraw/zinc/29/93/27/227299327.db2.gz STUDHFVFFDHGKB-UHFFFAOYSA-N 2 2 298.434 3.152 20 0 CGADLP Cc1cccc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000664362952 418943077 /nfs/dbraw/zinc/94/30/77/418943077.db2.gz FDCQEBQSPDEAKT-GOSISDBHSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cccc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000664362952 418943081 /nfs/dbraw/zinc/94/30/81/418943081.db2.gz FDCQEBQSPDEAKT-GOSISDBHSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000664402126 418952559 /nfs/dbraw/zinc/95/25/59/418952559.db2.gz ANKDTHBHIYIOAK-CQSZACIVSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000664402126 418952563 /nfs/dbraw/zinc/95/25/63/418952563.db2.gz ANKDTHBHIYIOAK-CQSZACIVSA-N 2 2 259.397 3.209 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881988 419028440 /nfs/dbraw/zinc/02/84/40/419028440.db2.gz CPNVVFOQASTZGI-QWHCGFSZSA-N 2 2 271.355 3.201 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881988 419028441 /nfs/dbraw/zinc/02/84/41/419028441.db2.gz CPNVVFOQASTZGI-QWHCGFSZSA-N 2 2 271.355 3.201 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000660130182 419084452 /nfs/dbraw/zinc/08/44/52/419084452.db2.gz WRYZZEBRFXVZIR-SJORKVTESA-N 2 2 295.430 3.330 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000660130182 419084455 /nfs/dbraw/zinc/08/44/55/419084455.db2.gz WRYZZEBRFXVZIR-SJORKVTESA-N 2 2 295.430 3.330 20 0 CGADLP c1ccc(NC2CC[NH+](CCC3CCC3)CC2)[nH+]c1 ZINC000660147051 419089383 /nfs/dbraw/zinc/08/93/83/419089383.db2.gz CWIPYGVQWHBQQS-UHFFFAOYSA-N 2 2 259.397 3.148 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856917 419124508 /nfs/dbraw/zinc/12/45/08/419124508.db2.gz QVVCMVMJBXVACV-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856917 419124513 /nfs/dbraw/zinc/12/45/13/419124513.db2.gz QVVCMVMJBXVACV-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC23CCC3)c1 ZINC000665254417 419094348 /nfs/dbraw/zinc/09/43/48/419094348.db2.gz PUKBVSNUHKRBRK-YESZJQIVSA-N 2 2 288.410 3.194 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655857249 419124598 /nfs/dbraw/zinc/12/45/98/419124598.db2.gz UISQCDWVXMHSRP-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655857249 419124603 /nfs/dbraw/zinc/12/46/03/419124603.db2.gz UISQCDWVXMHSRP-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665277371 419099285 /nfs/dbraw/zinc/09/92/85/419099285.db2.gz ZSLPQZAZBQZSSB-VROQLPPWSA-N 2 2 294.851 3.219 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277858 419099834 /nfs/dbraw/zinc/09/98/34/419099834.db2.gz NQIRQKNYTZDHHF-FZWSLVFFSA-N 2 2 294.826 3.141 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc2ccccc2c1 ZINC000665277207 419100042 /nfs/dbraw/zinc/10/00/42/419100042.db2.gz WPJGAQUSKBAZKI-WRSVWVKZSA-N 2 2 266.388 3.242 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655859683 419124835 /nfs/dbraw/zinc/12/48/35/419124835.db2.gz NWKMJIZKWLGMFQ-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655859683 419124838 /nfs/dbraw/zinc/12/48/38/419124838.db2.gz NWKMJIZKWLGMFQ-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000665296580 419109542 /nfs/dbraw/zinc/10/95/42/419109542.db2.gz UXRMIXNIKZNUGQ-CJNGLKHVSA-N 2 2 276.424 3.221 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)oc21 ZINC000665296706 419110119 /nfs/dbraw/zinc/11/01/19/419110119.db2.gz WUQMGTKXVPTORJ-VXGBXAGGSA-N 2 2 276.380 3.090 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665298589 419110320 /nfs/dbraw/zinc/11/03/20/419110320.db2.gz YNVFRRLIFYUFSW-KGLIPLIRSA-N 2 2 264.413 3.124 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000665298700 419110389 /nfs/dbraw/zinc/11/03/89/419110389.db2.gz ZXOFNWGBKZFBGS-GWCFXTLKSA-N 2 2 290.329 3.234 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000655848912 419120313 /nfs/dbraw/zinc/12/03/13/419120313.db2.gz LJKBKSJJYNTMIV-BHYGNILZSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000655848912 419120316 /nfs/dbraw/zinc/12/03/16/419120316.db2.gz LJKBKSJJYNTMIV-BHYGNILZSA-N 2 2 258.409 3.354 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655850840 419120541 /nfs/dbraw/zinc/12/05/41/419120541.db2.gz ZGVAPNSHSNUCQC-BMGDILEWSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655850840 419120548 /nfs/dbraw/zinc/12/05/48/419120548.db2.gz ZGVAPNSHSNUCQC-BMGDILEWSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655849752 419120604 /nfs/dbraw/zinc/12/06/04/419120604.db2.gz YJHDTZXXMYXEGS-XIRDDKMYSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655849752 419120605 /nfs/dbraw/zinc/12/06/05/419120605.db2.gz YJHDTZXXMYXEGS-XIRDDKMYSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849507 419121022 /nfs/dbraw/zinc/12/10/22/419121022.db2.gz WEQGXJMIQYJEDB-XIRDDKMYSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849507 419121026 /nfs/dbraw/zinc/12/10/26/419121026.db2.gz WEQGXJMIQYJEDB-XIRDDKMYSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+]1CCCC[C@@H]1C ZINC000655689660 419065934 /nfs/dbraw/zinc/06/59/34/419065934.db2.gz IYIYAUWLWJPBEI-YJNKXOJESA-N 2 2 270.486 3.123 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+]1CCCC[C@@H]1C ZINC000655689660 419065936 /nfs/dbraw/zinc/06/59/36/419065936.db2.gz IYIYAUWLWJPBEI-YJNKXOJESA-N 2 2 270.486 3.123 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CS1 ZINC000655690379 419066612 /nfs/dbraw/zinc/06/66/12/419066612.db2.gz NCQNDKIRISWWTC-FVQBIDKESA-N 2 2 278.465 3.163 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CS1 ZINC000655700732 419068837 /nfs/dbraw/zinc/06/88/37/419068837.db2.gz OFQPWPQCWMHBKD-QWHCGFSZSA-N 2 2 289.448 3.369 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078686 419073583 /nfs/dbraw/zinc/07/35/83/419073583.db2.gz YLKFKPOMWHVYAH-HOTGVXAUSA-N 2 2 291.439 3.184 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078686 419073584 /nfs/dbraw/zinc/07/35/84/419073584.db2.gz YLKFKPOMWHVYAH-HOTGVXAUSA-N 2 2 291.439 3.184 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201355 419149889 /nfs/dbraw/zinc/14/98/89/419149889.db2.gz WHEKYHNKEOTOJA-IRXDYDNUSA-N 2 2 282.387 3.238 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1C ZINC000656226512 419154266 /nfs/dbraw/zinc/15/42/66/419154266.db2.gz NBSIREVHZYXECK-ZIAGYGMSSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1C ZINC000656226512 419154268 /nfs/dbraw/zinc/15/42/68/419154268.db2.gz NBSIREVHZYXECK-ZIAGYGMSSA-N 2 2 299.422 3.004 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000656276552 419163554 /nfs/dbraw/zinc/16/35/54/419163554.db2.gz HAXGQLZPMDKKFT-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000656276552 419163556 /nfs/dbraw/zinc/16/35/56/419163556.db2.gz HAXGQLZPMDKKFT-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCn3c[nH+]cc3C2)c1Cl ZINC000660581645 419165731 /nfs/dbraw/zinc/16/57/31/419165731.db2.gz HVABQLAWYMDHRL-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP Clc1cccc(CC[N@H+]2CCn3c[nH+]cc3C2)c1Cl ZINC000660581645 419165733 /nfs/dbraw/zinc/16/57/33/419165733.db2.gz HVABQLAWYMDHRL-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655858502 419125622 /nfs/dbraw/zinc/12/56/22/419125622.db2.gz YVMKALVDTPQVRV-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655858502 419125624 /nfs/dbraw/zinc/12/56/24/419125624.db2.gz YVMKALVDTPQVRV-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655936308 419127387 /nfs/dbraw/zinc/12/73/87/419127387.db2.gz DCUIMTIKRKGVFT-MLGOLLRUSA-N 2 2 282.378 3.099 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655936308 419127389 /nfs/dbraw/zinc/12/73/89/419127389.db2.gz DCUIMTIKRKGVFT-MLGOLLRUSA-N 2 2 282.378 3.099 20 0 CGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)cc1 ZINC000657295191 419245102 /nfs/dbraw/zinc/24/51/02/419245102.db2.gz KIIOMJMLWQBTBI-GOSISDBHSA-N 2 2 297.402 3.079 20 0 CGADLP CC(C)n1ccnc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657299671 419245850 /nfs/dbraw/zinc/24/58/50/419245850.db2.gz ZKRNKKVURHYDCC-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP CC(C)n1ccnc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000657299671 419245853 /nfs/dbraw/zinc/24/58/53/419245853.db2.gz ZKRNKKVURHYDCC-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP CC(C)n1cc[nH+]c1CNCCC[N@H+](C)C1CCCCC1 ZINC000657299671 419245855 /nfs/dbraw/zinc/24/58/55/419245855.db2.gz ZKRNKKVURHYDCC-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP CC(C)n1cc[nH+]c1CNCCC[N@@H+](C)C1CCCCC1 ZINC000657299671 419245858 /nfs/dbraw/zinc/24/58/58/419245858.db2.gz ZKRNKKVURHYDCC-UHFFFAOYSA-N 2 2 292.471 3.208 20 0 CGADLP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345896 419256095 /nfs/dbraw/zinc/25/60/95/419256095.db2.gz TZRROVJOWZCDLO-DZGCQCFKSA-N 2 2 261.413 3.278 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CO1 ZINC000657368619 419261313 /nfs/dbraw/zinc/26/13/13/419261313.db2.gz VFQZCVFFUXGTBH-BHYGNILZSA-N 2 2 290.451 3.273 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000661483214 419264708 /nfs/dbraw/zinc/26/47/08/419264708.db2.gz GUYCEQSGCQQPSZ-CZUORRHYSA-N 2 2 264.388 3.207 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000661483214 419264709 /nfs/dbraw/zinc/26/47/09/419264709.db2.gz GUYCEQSGCQQPSZ-CZUORRHYSA-N 2 2 264.388 3.207 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H](C)c1ccccc1 ZINC000657384166 419266520 /nfs/dbraw/zinc/26/65/20/419266520.db2.gz MNBPTZOYNRAUOY-ZIAGYGMSSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228665 419199943 /nfs/dbraw/zinc/19/99/43/419199943.db2.gz VIVPQFMBDFLWGE-CLWVCHIJSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228665 419199946 /nfs/dbraw/zinc/19/99/46/419199946.db2.gz VIVPQFMBDFLWGE-CLWVCHIJSA-N 2 2 294.389 3.140 20 0 CGADLP Cc1ccc(-c2ncc(C[N@@H+](C)CC(C)(C)[NH3+])s2)cc1 ZINC000656783329 419217753 /nfs/dbraw/zinc/21/77/53/419217753.db2.gz PIQNLHFKUYVVQS-UHFFFAOYSA-N 2 2 289.448 3.288 20 0 CGADLP Cc1ccc(-c2ncc(C[N@H+](C)CC(C)(C)[NH3+])s2)cc1 ZINC000656783329 419217755 /nfs/dbraw/zinc/21/77/55/419217755.db2.gz PIQNLHFKUYVVQS-UHFFFAOYSA-N 2 2 289.448 3.288 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)s1)CC(C)(C)[NH3+] ZINC000656783013 419218054 /nfs/dbraw/zinc/21/80/54/419218054.db2.gz LSLCFLQZVKPNQR-UHFFFAOYSA-N 2 2 254.443 3.215 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)s1)CC(C)(C)[NH3+] ZINC000656783013 419218056 /nfs/dbraw/zinc/21/80/56/419218056.db2.gz LSLCFLQZVKPNQR-UHFFFAOYSA-N 2 2 254.443 3.215 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)o1)CC(C)(C)[NH3+] ZINC000656784699 419218684 /nfs/dbraw/zinc/21/86/84/419218684.db2.gz HWDOGZQLUDAWPS-UHFFFAOYSA-N 2 2 258.365 3.116 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)o1)CC(C)(C)[NH3+] ZINC000656784699 419218686 /nfs/dbraw/zinc/21/86/86/419218686.db2.gz HWDOGZQLUDAWPS-UHFFFAOYSA-N 2 2 258.365 3.116 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)CCc2ccccc21 ZINC000661214134 419241096 /nfs/dbraw/zinc/24/10/96/419241096.db2.gz XCYMUBJBSLBLBL-UHFFFAOYSA-N 2 2 283.419 3.109 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)CCc2ccccc21 ZINC000661214134 419241098 /nfs/dbraw/zinc/24/10/98/419241098.db2.gz XCYMUBJBSLBLBL-UHFFFAOYSA-N 2 2 283.419 3.109 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1NCc1[nH+]ccn1C(C)C ZINC000657412002 419272808 /nfs/dbraw/zinc/27/28/08/419272808.db2.gz XKMWREDJLJMCFZ-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc21 ZINC000657459946 419284552 /nfs/dbraw/zinc/28/45/52/419284552.db2.gz MJJPORQOEWSQHX-UHFFFAOYSA-N 2 2 294.402 3.299 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690385 419286957 /nfs/dbraw/zinc/28/69/57/419286957.db2.gz QBMUVBBZAWVGAU-JKSUJKDBSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](CCF)C1 ZINC000661690385 419286958 /nfs/dbraw/zinc/28/69/58/419286958.db2.gz QBMUVBBZAWVGAU-JKSUJKDBSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690385 419286960 /nfs/dbraw/zinc/28/69/60/419286960.db2.gz QBMUVBBZAWVGAU-JKSUJKDBSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690385 419286961 /nfs/dbraw/zinc/28/69/61/419286961.db2.gz QBMUVBBZAWVGAU-JKSUJKDBSA-N 2 2 270.436 3.321 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC[C@H]1CCc3ccccc31)CCC2 ZINC000657476713 419288287 /nfs/dbraw/zinc/28/82/87/419288287.db2.gz DBVZBPUBAHZKPC-OAHLLOKOSA-N 2 2 281.403 3.039 20 0 CGADLP C[C@](Cc1ccccc1)([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657487126 419291084 /nfs/dbraw/zinc/29/10/84/419291084.db2.gz QAHNPWDLPNNNCL-LJQANCHMSA-N 2 2 295.430 3.330 20 0 CGADLP Cc1ccc2oc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2c1 ZINC000657652424 419319538 /nfs/dbraw/zinc/31/95/38/419319538.db2.gz LWSZHQYKTBWVKW-UHFFFAOYSA-N 2 2 281.359 3.174 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522273 419296937 /nfs/dbraw/zinc/29/69/37/419296937.db2.gz AIBIVMBXJJHBLT-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522273 419296940 /nfs/dbraw/zinc/29/69/40/419296940.db2.gz AIBIVMBXJJHBLT-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524925 419297988 /nfs/dbraw/zinc/29/79/88/419297988.db2.gz TTWINXFWSCHKCY-GFCCVEGCSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524925 419297991 /nfs/dbraw/zinc/29/79/91/419297991.db2.gz TTWINXFWSCHKCY-GFCCVEGCSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC23CCCCC3)n1C ZINC000657537004 419300954 /nfs/dbraw/zinc/30/09/54/419300954.db2.gz YAFPVYMHGXVKFT-HNNXBMFYSA-N 2 2 261.413 3.321 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC000657678460 419327209 /nfs/dbraw/zinc/32/72/09/419327209.db2.gz QTVXNWIUJIJKQO-KFWWJZLASA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC000657678460 419327210 /nfs/dbraw/zinc/32/72/10/419327210.db2.gz QTVXNWIUJIJKQO-KFWWJZLASA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@@H+]1C1CC1 ZINC000657717344 419332521 /nfs/dbraw/zinc/33/25/21/419332521.db2.gz PKSPLIYEPLDAJG-UQJCBBSYSA-N 2 2 284.394 3.169 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@H+]1C1CC1 ZINC000657717344 419332524 /nfs/dbraw/zinc/33/25/24/419332524.db2.gz PKSPLIYEPLDAJG-UQJCBBSYSA-N 2 2 284.394 3.169 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000657742049 419335456 /nfs/dbraw/zinc/33/54/56/419335456.db2.gz KNZCQGKREQYBIE-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000657742049 419335457 /nfs/dbraw/zinc/33/54/57/419335457.db2.gz KNZCQGKREQYBIE-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000657879166 419400870 /nfs/dbraw/zinc/40/08/70/419400870.db2.gz KUKUHMKPFBYZHR-HZPDHXFCSA-N 2 2 290.451 3.054 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000657879166 419400875 /nfs/dbraw/zinc/40/08/75/419400875.db2.gz KUKUHMKPFBYZHR-HZPDHXFCSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C(C)(C)C(F)F ZINC000657827890 419374882 /nfs/dbraw/zinc/37/48/82/419374882.db2.gz ORHHBHQLYNFXOR-GFCCVEGCSA-N 2 2 262.388 3.132 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000657997133 419485454 /nfs/dbraw/zinc/48/54/54/419485454.db2.gz UENHXTOQMHBBPA-GPANFISMSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000657997133 419485465 /nfs/dbraw/zinc/48/54/65/419485465.db2.gz UENHXTOQMHBBPA-GPANFISMSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657900171 419422662 /nfs/dbraw/zinc/42/26/62/419422662.db2.gz NHFXAKOMBJEMBT-OLZOCXBDSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657900171 419422671 /nfs/dbraw/zinc/42/26/71/419422671.db2.gz NHFXAKOMBJEMBT-OLZOCXBDSA-N 2 2 289.448 3.289 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058147 419529191 /nfs/dbraw/zinc/52/91/91/419529191.db2.gz DCIMLBSQAQUMRV-CVEARBPZSA-N 2 2 275.440 3.385 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058147 419529200 /nfs/dbraw/zinc/52/92/00/419529200.db2.gz DCIMLBSQAQUMRV-CVEARBPZSA-N 2 2 275.440 3.385 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000658092749 419568272 /nfs/dbraw/zinc/56/82/72/419568272.db2.gz RPPQDESTLPYQEO-GDBMZVCRSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000658092749 419568278 /nfs/dbraw/zinc/56/82/78/419568278.db2.gz RPPQDESTLPYQEO-GDBMZVCRSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000663500406 419637665 /nfs/dbraw/zinc/63/76/65/419637665.db2.gz RKMUTYFUEHBERM-HUUCEWRRSA-N 2 2 284.394 3.216 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663450423 419605156 /nfs/dbraw/zinc/60/51/56/419605156.db2.gz YWMIGPLJFBFYIK-CQSZACIVSA-N 2 2 267.376 3.192 20 0 CGADLP Cc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000663450423 419605169 /nfs/dbraw/zinc/60/51/69/419605169.db2.gz YWMIGPLJFBFYIK-CQSZACIVSA-N 2 2 267.376 3.192 20 0 CGADLP C[C@@H]1C[C@@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@@H+]1C ZINC000663663211 419669125 /nfs/dbraw/zinc/66/91/25/419669125.db2.gz ZZCDVRKZLMCBHN-HIFRSBDPSA-N 2 2 297.406 3.115 20 0 CGADLP C[C@@H]1C[C@@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@H+]1C ZINC000663663211 419669132 /nfs/dbraw/zinc/66/91/32/419669132.db2.gz ZZCDVRKZLMCBHN-HIFRSBDPSA-N 2 2 297.406 3.115 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221612 419678955 /nfs/dbraw/zinc/67/89/55/419678955.db2.gz SRTPMDSLOBMNSS-CVEARBPZSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221612 419678960 /nfs/dbraw/zinc/67/89/60/419678960.db2.gz SRTPMDSLOBMNSS-CVEARBPZSA-N 2 2 294.389 3.286 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000663819561 419730017 /nfs/dbraw/zinc/73/00/17/419730017.db2.gz DJJKZZHNGXOMRH-LLVKDONJSA-N 2 2 296.296 3.032 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000658288381 419736930 /nfs/dbraw/zinc/73/69/30/419736930.db2.gz VCMUUQFHZMIFJI-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000658288381 419736937 /nfs/dbraw/zinc/73/69/37/419736937.db2.gz VCMUUQFHZMIFJI-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000658287525 419736955 /nfs/dbraw/zinc/73/69/55/419736955.db2.gz ZOCVOFZXFQDKPR-QZTJIDSGSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000658287525 419736962 /nfs/dbraw/zinc/73/69/62/419736962.db2.gz ZOCVOFZXFQDKPR-QZTJIDSGSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000658294785 419740494 /nfs/dbraw/zinc/74/04/94/419740494.db2.gz JSEQOKCBCVQSRS-IKGGRYGDSA-N 2 2 294.483 3.044 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294246 419742658 /nfs/dbraw/zinc/74/26/58/419742658.db2.gz GSQCDRWZGVJSQJ-ZMSDIMECSA-N 2 2 282.472 3.044 20 0 CGADLP COc1c(C)c[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c1C ZINC000319801161 262367557 /nfs/dbraw/zinc/36/75/57/262367557.db2.gz QUCDBFUBMONECI-RYUDHWBXSA-N 2 2 299.418 3.323 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391197471 262388958 /nfs/dbraw/zinc/38/89/58/262388958.db2.gz NAQBNOGSJZSHDP-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391197471 262388960 /nfs/dbraw/zinc/38/89/60/262388960.db2.gz NAQBNOGSJZSHDP-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000340288766 263105030 /nfs/dbraw/zinc/10/50/30/263105030.db2.gz MKMIOZZUNBKREH-MGPQQGTHSA-N 2 2 283.366 3.201 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1n1cc[nH+]c1 ZINC000340288766 263105031 /nfs/dbraw/zinc/10/50/31/263105031.db2.gz MKMIOZZUNBKREH-MGPQQGTHSA-N 2 2 283.366 3.201 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000290483059 263117100 /nfs/dbraw/zinc/11/71/00/263117100.db2.gz VLXLOJVZEIPEOP-VQIMIIECSA-N 2 2 298.430 3.424 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037321627 270029236 /nfs/dbraw/zinc/02/92/36/270029236.db2.gz XPYQOMHHGILWTH-ROUUACIJSA-N 2 2 274.452 3.110 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685342 270037491 /nfs/dbraw/zinc/03/74/91/270037491.db2.gz QCOCTAQRALNEBV-YMAMQOFZSA-N 2 2 250.430 3.172 20 0 CGADLP CCCC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685342 270037492 /nfs/dbraw/zinc/03/74/92/270037492.db2.gz QCOCTAQRALNEBV-YMAMQOFZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)C(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000229533146 270088406 /nfs/dbraw/zinc/08/84/06/270088406.db2.gz HBIGBOBBHCVKLU-ZIAGYGMSSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)C(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000229533146 270088407 /nfs/dbraw/zinc/08/84/07/270088407.db2.gz HBIGBOBBHCVKLU-ZIAGYGMSSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000219265332 270085898 /nfs/dbraw/zinc/08/58/98/270085898.db2.gz HLTJBCZFSHXNJW-ZDUSSCGKSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000224542694 270086606 /nfs/dbraw/zinc/08/66/06/270086606.db2.gz QQVSZOLEFXFRRN-IPYPFGDCSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000224542694 270086607 /nfs/dbraw/zinc/08/66/07/270086607.db2.gz QQVSZOLEFXFRRN-IPYPFGDCSA-N 2 2 276.399 3.410 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000250359562 270091427 /nfs/dbraw/zinc/09/14/27/270091427.db2.gz SVYLKMCSCRCSAV-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000250359562 270091428 /nfs/dbraw/zinc/09/14/28/270091428.db2.gz SVYLKMCSCRCSAV-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321534413 270093195 /nfs/dbraw/zinc/09/31/95/270093195.db2.gz PRDVSXZRORAQHF-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321534413 270093196 /nfs/dbraw/zinc/09/31/96/270093196.db2.gz PRDVSXZRORAQHF-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP Cc1[nH]c(CNc2ccc(CC[NH+]3CCCC3)cc2)[nH+]c1C ZINC000520253869 270098769 /nfs/dbraw/zinc/09/87/69/270098769.db2.gz BUCXHFWLDNBDBP-UHFFFAOYSA-N 2 2 298.434 3.277 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C(C)C)n1)CC(C)C ZINC000521594260 270102432 /nfs/dbraw/zinc/10/24/32/270102432.db2.gz VTEZRKDIIFNODV-OAHLLOKOSA-N 2 2 292.471 3.190 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000524771137 270115042 /nfs/dbraw/zinc/11/50/42/270115042.db2.gz CZGCTARIYGKZOK-ZDUSSCGKSA-N 2 2 260.425 3.043 20 0 CGADLP Cc1cc(C)c(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000524771137 270115043 /nfs/dbraw/zinc/11/50/43/270115043.db2.gz CZGCTARIYGKZOK-ZDUSSCGKSA-N 2 2 260.425 3.043 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527640529 270130607 /nfs/dbraw/zinc/13/06/07/270130607.db2.gz MIPKFNAGLZQDKN-JQFCIGGWSA-N 2 2 285.435 3.075 20 0 CGADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2[nH]1 ZINC000527805457 270137084 /nfs/dbraw/zinc/13/70/84/270137084.db2.gz AKIHKTCFDDXSPI-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2[nH]1 ZINC000527805457 270137085 /nfs/dbraw/zinc/13/70/85/270137085.db2.gz AKIHKTCFDDXSPI-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805744 270137138 /nfs/dbraw/zinc/13/71/38/270137138.db2.gz HODXWLPOPUMSRE-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805744 270137139 /nfs/dbraw/zinc/13/71/39/270137139.db2.gz HODXWLPOPUMSRE-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527807675 270137669 /nfs/dbraw/zinc/13/76/69/270137669.db2.gz HRBVMSIIKBLUEA-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527807675 270137670 /nfs/dbraw/zinc/13/76/70/270137670.db2.gz HRBVMSIIKBLUEA-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527812311 270137907 /nfs/dbraw/zinc/13/79/07/270137907.db2.gz ZPQMVNZBVKVHFF-CQSZACIVSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000527812311 270137908 /nfs/dbraw/zinc/13/79/08/270137908.db2.gz ZPQMVNZBVKVHFF-CQSZACIVSA-N 2 2 278.465 3.417 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC12CC2 ZINC000527862012 270140308 /nfs/dbraw/zinc/14/03/08/270140308.db2.gz DYAFGASDPDCWLL-XJKSGUPXSA-N 2 2 267.376 3.151 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@H]21 ZINC000527938270 270145898 /nfs/dbraw/zinc/14/58/98/270145898.db2.gz XAWMMRPEIGSIFY-NVXWUHKLSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@H]21 ZINC000527938270 270145899 /nfs/dbraw/zinc/14/58/99/270145899.db2.gz XAWMMRPEIGSIFY-NVXWUHKLSA-N 2 2 281.403 3.155 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944385 270146004 /nfs/dbraw/zinc/14/60/04/270146004.db2.gz CZUKJARDECAAFK-RHSMWYFYSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944385 270146005 /nfs/dbraw/zinc/14/60/05/270146005.db2.gz CZUKJARDECAAFK-RHSMWYFYSA-N 2 2 276.424 3.207 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000528002761 270150171 /nfs/dbraw/zinc/15/01/71/270150171.db2.gz QTWJHUNHQHCGHC-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C ZINC000528002761 270150172 /nfs/dbraw/zinc/15/01/72/270150172.db2.gz QTWJHUNHQHCGHC-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002391 270150212 /nfs/dbraw/zinc/15/02/12/270150212.db2.gz QBOHZDDNDLTBHL-YOEHRIQHSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002391 270150213 /nfs/dbraw/zinc/15/02/13/270150213.db2.gz QBOHZDDNDLTBHL-YOEHRIQHSA-N 2 2 290.426 3.363 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000528141013 270155443 /nfs/dbraw/zinc/15/54/43/270155443.db2.gz SNLNPDYPBLPUNC-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000528141013 270155444 /nfs/dbraw/zinc/15/54/44/270155444.db2.gz SNLNPDYPBLPUNC-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000335569562 274880300 /nfs/dbraw/zinc/88/03/00/274880300.db2.gz QYGUKSLIGIRPCP-ZDUSSCGKSA-N 2 2 285.218 3.322 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555455 270184671 /nfs/dbraw/zinc/18/46/71/270184671.db2.gz QPSIVMYGXDHRDI-FZMZJTMJSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555455 270184672 /nfs/dbraw/zinc/18/46/72/270184672.db2.gz QPSIVMYGXDHRDI-FZMZJTMJSA-N 2 2 272.383 3.027 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530220982 270196472 /nfs/dbraw/zinc/19/64/72/270196472.db2.gz VITCFBUOBKBERX-CVEARBPZSA-N 2 2 258.409 3.402 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)s1 ZINC000530216584 270195948 /nfs/dbraw/zinc/19/59/48/270195948.db2.gz BRYCVUHHILCBAH-MWLCHTKSSA-N 2 2 270.829 3.337 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530220983 270196614 /nfs/dbraw/zinc/19/66/14/270196614.db2.gz VITCFBUOBKBERX-HOTGVXAUSA-N 2 2 258.409 3.402 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000531682496 270208518 /nfs/dbraw/zinc/20/85/18/270208518.db2.gz JEKKNEKVCQSGEH-APWZRJJASA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000531682496 270208519 /nfs/dbraw/zinc/20/85/19/270208519.db2.gz JEKKNEKVCQSGEH-APWZRJJASA-N 2 2 286.463 3.329 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000531939957 270210847 /nfs/dbraw/zinc/21/08/47/270210847.db2.gz BWYIVZLQYIYUMZ-NEPJUHHUSA-N 2 2 293.798 3.284 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000531938556 270210959 /nfs/dbraw/zinc/21/09/59/270210959.db2.gz PUNKYOXIYLERMD-AZUAARDMSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531597 270217101 /nfs/dbraw/zinc/21/71/01/270217101.db2.gz RWSPNOLRWZTONM-HUUCEWRRSA-N 2 2 272.436 3.168 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531597 270217102 /nfs/dbraw/zinc/21/71/02/270217102.db2.gz RWSPNOLRWZTONM-HUUCEWRRSA-N 2 2 272.436 3.168 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423395514 273580003 /nfs/dbraw/zinc/58/00/03/273580003.db2.gz SUXSRUUAVUEMBQ-IRXDYDNUSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427845882 287708410 /nfs/dbraw/zinc/70/84/10/287708410.db2.gz GFIILRDCPMQLGS-CKEIUWERSA-N 2 2 281.403 3.426 20 0 CGADLP C[C@@H]([NH2+]CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037179402 274246229 /nfs/dbraw/zinc/24/62/29/274246229.db2.gz LWWXSXYGBFMUPZ-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000377400094 274635672 /nfs/dbraw/zinc/63/56/72/274635672.db2.gz PBCBEHLXALGZSN-PIGZYNQJSA-N 2 2 297.333 3.085 20 0 CGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191656963 275061509 /nfs/dbraw/zinc/06/15/09/275061509.db2.gz URHMWIMPGJGIIV-INIZCTEOSA-N 2 2 293.370 3.207 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000414959563 275069902 /nfs/dbraw/zinc/06/99/02/275069902.db2.gz SNQCNXXRPLKFAX-UYAOXDASSA-N 2 2 292.426 3.021 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423416416 275070060 /nfs/dbraw/zinc/07/00/60/275070060.db2.gz FVJTZMMSTJOOSX-RTBURBONSA-N 2 2 278.399 3.151 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189052077 275391235 /nfs/dbraw/zinc/39/12/35/275391235.db2.gz LJMKKULQPBMDTC-OAHLLOKOSA-N 2 2 250.430 3.175 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427865291 275593267 /nfs/dbraw/zinc/59/32/67/275593267.db2.gz NCAGVULDSOAMRT-ZNMIVQPWSA-N 2 2 263.429 3.248 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000344351292 276157660 /nfs/dbraw/zinc/15/76/60/276157660.db2.gz OXNASDGRCOVVCG-RCCFBDPRSA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000344351292 276157661 /nfs/dbraw/zinc/15/76/61/276157661.db2.gz OXNASDGRCOVVCG-RCCFBDPRSA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000019959594 276174163 /nfs/dbraw/zinc/17/41/63/276174163.db2.gz JZHJSOBFXRIDAF-MRXNPFEDSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000019959594 276174164 /nfs/dbraw/zinc/17/41/64/276174164.db2.gz JZHJSOBFXRIDAF-MRXNPFEDSA-N 2 2 260.425 3.186 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423236340 276266812 /nfs/dbraw/zinc/26/68/12/276266812.db2.gz ODQAFHQCMJGIPK-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423393588 276270512 /nfs/dbraw/zinc/27/05/12/276270512.db2.gz YVQMUCUWQRQLSA-MLGOLLRUSA-N 2 2 276.424 3.005 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510704150 276866034 /nfs/dbraw/zinc/86/60/34/276866034.db2.gz PGCDXBQTBRMMOL-RCCFBDPRSA-N 2 2 272.436 3.458 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729282 277177541 /nfs/dbraw/zinc/17/75/41/277177541.db2.gz FOMPXKKMFAREBY-WFASDCNBSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729282 277177542 /nfs/dbraw/zinc/17/75/42/277177542.db2.gz FOMPXKKMFAREBY-WFASDCNBSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729282 277177543 /nfs/dbraw/zinc/17/75/43/277177543.db2.gz FOMPXKKMFAREBY-WFASDCNBSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000351729282 277177544 /nfs/dbraw/zinc/17/75/44/277177544.db2.gz FOMPXKKMFAREBY-WFASDCNBSA-N 2 2 298.352 3.231 20 0 CGADLP CC(C)=CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785673 277324276 /nfs/dbraw/zinc/32/42/76/277324276.db2.gz IFMSQZZWKMCPQB-UHFFFAOYSA-N 2 2 278.362 3.301 20 0 CGADLP CC(C)=CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785673 277324277 /nfs/dbraw/zinc/32/42/77/277324277.db2.gz IFMSQZZWKMCPQB-UHFFFAOYSA-N 2 2 278.362 3.301 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427885201 277927303 /nfs/dbraw/zinc/92/73/03/277927303.db2.gz ILXKTUKEIIYYFJ-QAPCUYQASA-N 2 2 299.418 3.193 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[N@@H+]1C ZINC000361763000 278027970 /nfs/dbraw/zinc/02/79/70/278027970.db2.gz GBBSSRQLIXLPAM-UMVBOHGHSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[N@H+]1C ZINC000361763000 278027972 /nfs/dbraw/zinc/02/79/72/278027972.db2.gz GBBSSRQLIXLPAM-UMVBOHGHSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000346706579 278029067 /nfs/dbraw/zinc/02/90/67/278029067.db2.gz OBNPPKHQSWWDAQ-JKJDWNRSSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000346706579 278029070 /nfs/dbraw/zinc/02/90/70/278029070.db2.gz OBNPPKHQSWWDAQ-JKJDWNRSSA-N 2 2 262.441 3.170 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCCC1(C)C)Cc1ccccc1 ZINC000395741785 288010680 /nfs/dbraw/zinc/01/06/80/288010680.db2.gz KLZOSVXJRGOZDZ-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCCC1(C)C)Cc1ccccc1 ZINC000395741785 288010682 /nfs/dbraw/zinc/01/06/82/288010682.db2.gz KLZOSVXJRGOZDZ-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000503930898 278177273 /nfs/dbraw/zinc/17/72/73/278177273.db2.gz UEPLAKVIHGRXJK-BZPMIXESSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000503930898 278177274 /nfs/dbraw/zinc/17/72/74/278177274.db2.gz UEPLAKVIHGRXJK-BZPMIXESSA-N 2 2 264.438 3.009 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453380407 278219914 /nfs/dbraw/zinc/21/99/14/278219914.db2.gz AUHJTZDUFKYMHB-CABCVRRESA-N 2 2 270.436 3.369 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453380407 278219916 /nfs/dbraw/zinc/21/99/16/278219916.db2.gz AUHJTZDUFKYMHB-CABCVRRESA-N 2 2 270.436 3.369 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000397752215 288029208 /nfs/dbraw/zinc/02/92/08/288029208.db2.gz DXZCEAUSZFZTMI-CQSZACIVSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1Cl ZINC000421820639 278274741 /nfs/dbraw/zinc/27/47/41/278274741.db2.gz NEGLUXILLPKTPN-YNEHKIRRSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1Cl ZINC000421820639 278274743 /nfs/dbraw/zinc/27/47/43/278274743.db2.gz NEGLUXILLPKTPN-YNEHKIRRSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[NH+]1CCC(C)CC1 ZINC000474604061 278284019 /nfs/dbraw/zinc/28/40/19/278284019.db2.gz QOVWMIZRLNEOGW-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000397783776 288030425 /nfs/dbraw/zinc/03/04/25/288030425.db2.gz ABRZKLPYIZRCMP-HNNXBMFYSA-N 2 2 278.827 3.475 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000397878479 288033626 /nfs/dbraw/zinc/03/36/26/288033626.db2.gz JBULCDPGFHKOFY-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732804 278368820 /nfs/dbraw/zinc/36/88/20/278368820.db2.gz MYBLQXXODIOIFQ-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732804 278368821 /nfs/dbraw/zinc/36/88/21/278368821.db2.gz MYBLQXXODIOIFQ-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000422909220 278386314 /nfs/dbraw/zinc/38/63/14/278386314.db2.gz FIVAKQOOXTUFSE-SWHYSGLUSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000429143102 288065341 /nfs/dbraw/zinc/06/53/41/288065341.db2.gz QDBYGZHYNGIBOY-MRXNPFEDSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc2O1 ZINC000429143102 288065344 /nfs/dbraw/zinc/06/53/44/288065344.db2.gz QDBYGZHYNGIBOY-MRXNPFEDSA-N 2 2 288.435 3.146 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453106604 288075743 /nfs/dbraw/zinc/07/57/43/288075743.db2.gz HIZWTXLKYSLBAL-KRWDZBQOSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000471595584 288079335 /nfs/dbraw/zinc/07/93/35/288079335.db2.gz UQRGZZQWHNFUNC-COXVUDFISA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000358388157 279014604 /nfs/dbraw/zinc/01/46/04/279014604.db2.gz BUWGOTSQMJSTNK-SJECXTJVSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000358388157 279014605 /nfs/dbraw/zinc/01/46/05/279014605.db2.gz BUWGOTSQMJSTNK-SJECXTJVSA-N 2 2 288.410 3.274 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423267513 279142352 /nfs/dbraw/zinc/14/23/52/279142352.db2.gz TVZPRSPCFMGDAX-RISCZKNCSA-N 2 2 282.428 3.326 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1C)[NH+]1CCCC1 ZINC000480817572 288109695 /nfs/dbraw/zinc/10/96/95/288109695.db2.gz MDPMXPPBPNDSLG-LESCRADOSA-N 2 2 272.436 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358081376 279196241 /nfs/dbraw/zinc/19/62/41/279196241.db2.gz HYRUFALFNRLBMH-PVAVHDDUSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358081376 279196243 /nfs/dbraw/zinc/19/62/43/279196243.db2.gz HYRUFALFNRLBMH-PVAVHDDUSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC2(C1)CCCCC2)C1CC1 ZINC000421320933 279205178 /nfs/dbraw/zinc/20/51/78/279205178.db2.gz DAZWPZBARHSGPT-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC2(C1)CCCCC2)C1CC1 ZINC000421320933 279205180 /nfs/dbraw/zinc/20/51/80/279205180.db2.gz DAZWPZBARHSGPT-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361896538 279275089 /nfs/dbraw/zinc/27/50/89/279275089.db2.gz JRZUHYXGPBJRMR-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361896538 279275092 /nfs/dbraw/zinc/27/50/92/279275092.db2.gz JRZUHYXGPBJRMR-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361896541 279275116 /nfs/dbraw/zinc/27/51/16/279275116.db2.gz JRZUHYXGPBJRMR-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361896541 279275120 /nfs/dbraw/zinc/27/51/20/279275120.db2.gz JRZUHYXGPBJRMR-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC1CCOCC1 ZINC000434794993 279347304 /nfs/dbraw/zinc/34/73/04/279347304.db2.gz PIBZRFICKDAPDY-MAUKXSAKSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC1CCOCC1 ZINC000434794993 279347307 /nfs/dbraw/zinc/34/73/07/279347307.db2.gz PIBZRFICKDAPDY-MAUKXSAKSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000486961618 279456072 /nfs/dbraw/zinc/45/60/72/279456072.db2.gz CKRWBQSEYZYSRW-YOEHRIQHSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300413654 279516286 /nfs/dbraw/zinc/51/62/86/279516286.db2.gz FDMJIZMSQZMQCK-IJEWVQPXSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(C)CC1 ZINC000360947870 279549428 /nfs/dbraw/zinc/54/94/28/279549428.db2.gz ODJQUMFCLRQBOB-STQMWFEESA-N 2 2 275.440 3.274 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000527668227 288186598 /nfs/dbraw/zinc/18/65/98/288186598.db2.gz UWHWDLWJCFXJFB-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000527668227 288186601 /nfs/dbraw/zinc/18/66/01/288186601.db2.gz UWHWDLWJCFXJFB-GXSJLCMTSA-N 2 2 292.370 3.339 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000527669399 288186918 /nfs/dbraw/zinc/18/69/18/288186918.db2.gz GKIMERPEXUNXLH-NEPJUHHUSA-N 2 2 274.399 3.273 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000527669399 288186920 /nfs/dbraw/zinc/18/69/20/288186920.db2.gz GKIMERPEXUNXLH-NEPJUHHUSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344328199 280106415 /nfs/dbraw/zinc/10/64/15/280106415.db2.gz QTWVQSDDPKBKLF-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@H+]1C ZINC000344328199 280106417 /nfs/dbraw/zinc/10/64/17/280106417.db2.gz QTWVQSDDPKBKLF-FZMZJTMJSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1c2ccccc2C[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000361089737 280128722 /nfs/dbraw/zinc/12/87/22/280128722.db2.gz XTSYYKSFVVZVJI-HOCLYGCPSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000361089737 280128724 /nfs/dbraw/zinc/12/87/24/280128724.db2.gz XTSYYKSFVVZVJI-HOCLYGCPSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000361089737 280128725 /nfs/dbraw/zinc/12/87/25/280128725.db2.gz XTSYYKSFVVZVJI-HOCLYGCPSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000361089737 280128728 /nfs/dbraw/zinc/12/87/28/280128728.db2.gz XTSYYKSFVVZVJI-HOCLYGCPSA-N 2 2 258.409 3.438 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423196228 280334852 /nfs/dbraw/zinc/33/48/52/280334852.db2.gz UXGSSVPRFNMDRW-WFASDCNBSA-N 2 2 268.351 3.004 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423332361 280505519 /nfs/dbraw/zinc/50/55/19/280505519.db2.gz VAIXJSWTPJQFRD-CABCVRRESA-N 2 2 294.826 3.189 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427897472 281096443 /nfs/dbraw/zinc/09/64/43/281096443.db2.gz YBUOOZOCDPOPPC-WBVHZDCISA-N 2 2 281.403 3.174 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CCC2 ZINC000423556904 281125822 /nfs/dbraw/zinc/12/58/22/281125822.db2.gz NAFCEVDLHUTVNL-DOTOQJQBSA-N 2 2 258.409 3.104 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000531707991 288341842 /nfs/dbraw/zinc/34/18/42/288341842.db2.gz UWACDWJLCHNEHN-JLSDUUJJSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000531707991 288341843 /nfs/dbraw/zinc/34/18/43/288341843.db2.gz UWACDWJLCHNEHN-JLSDUUJJSA-N 2 2 272.436 3.458 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724572 288343519 /nfs/dbraw/zinc/34/35/19/288343519.db2.gz AJBJHODYQRMVOJ-LSDHHAIUSA-N 2 2 274.452 3.110 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000531728353 288343929 /nfs/dbraw/zinc/34/39/29/288343929.db2.gz SZXLSCYNTFTCSY-BBRMVZONSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000531728353 288343931 /nfs/dbraw/zinc/34/39/31/288343931.db2.gz SZXLSCYNTFTCSY-BBRMVZONSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531728874 288344312 /nfs/dbraw/zinc/34/43/12/288344312.db2.gz RIZVXSHADKMWEA-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531728874 288344314 /nfs/dbraw/zinc/34/43/14/288344314.db2.gz RIZVXSHADKMWEA-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000531564129 288339325 /nfs/dbraw/zinc/33/93/25/288339325.db2.gz VSAAZZOZJPTGPS-ZDUSSCGKSA-N 2 2 274.433 3.333 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000531564129 288339326 /nfs/dbraw/zinc/33/93/26/288339326.db2.gz VSAAZZOZJPTGPS-ZDUSSCGKSA-N 2 2 274.433 3.333 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194564 288354485 /nfs/dbraw/zinc/35/44/85/288354485.db2.gz GETDWRQOWVNRHW-WMLDXEAASA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194564 288354489 /nfs/dbraw/zinc/35/44/89/288354489.db2.gz GETDWRQOWVNRHW-WMLDXEAASA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000532239697 288357661 /nfs/dbraw/zinc/35/76/61/288357661.db2.gz KRDSXPQVYUIMDK-DZGCQCFKSA-N 2 2 276.449 3.155 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000532239697 288357662 /nfs/dbraw/zinc/35/76/62/288357662.db2.gz KRDSXPQVYUIMDK-DZGCQCFKSA-N 2 2 276.449 3.155 20 0 CGADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000532246652 288358614 /nfs/dbraw/zinc/35/86/14/288358614.db2.gz ASGONKWMLOBIRD-GJZGRUSLSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000532246652 288358615 /nfs/dbraw/zinc/35/86/15/288358615.db2.gz ASGONKWMLOBIRD-GJZGRUSLSA-N 2 2 252.446 3.133 20 0 CGADLP C[NH+](C)C1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CCC1 ZINC000438338226 282043190 /nfs/dbraw/zinc/04/31/90/282043190.db2.gz CPXXCJAVVYBFDS-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000422776745 289991548 /nfs/dbraw/zinc/99/15/48/289991548.db2.gz DJNPGKNLKBETJL-IUCAKERBSA-N 2 2 273.207 3.252 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000536756588 288501900 /nfs/dbraw/zinc/50/19/00/288501900.db2.gz KLPWEEWMPOCPGO-AWEZNQCLSA-N 2 2 275.440 3.205 20 0 CGADLP C[C@@H](C[NH2+][C@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000541588121 288710029 /nfs/dbraw/zinc/71/00/29/288710029.db2.gz QUGYWDNSCRHYFL-IAGOWNOFSA-N 2 2 274.452 3.329 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)CC2 ZINC000548635664 289014045 /nfs/dbraw/zinc/01/40/45/289014045.db2.gz IUNOZQTUHMMDRM-DLBZAZTESA-N 2 2 281.403 3.329 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085128166 289036039 /nfs/dbraw/zinc/03/60/39/289036039.db2.gz DHQCJEPCVNIRBP-GHMZBOCLSA-N 2 2 266.351 3.037 20 0 CGADLP CCCC[N@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000552047323 289154464 /nfs/dbraw/zinc/15/44/64/289154464.db2.gz IAVQBNHPOXCPQY-MRXNPFEDSA-N 2 2 292.471 3.353 20 0 CGADLP CCCC[N@@H+](C)CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000552047323 289154467 /nfs/dbraw/zinc/15/44/67/289154467.db2.gz IAVQBNHPOXCPQY-MRXNPFEDSA-N 2 2 292.471 3.353 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488471944 289206667 /nfs/dbraw/zinc/20/66/67/289206667.db2.gz WQQNROKOIIUUOY-SFHVURJKSA-N 2 2 286.463 3.472 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCCC2 ZINC000474057877 289207696 /nfs/dbraw/zinc/20/76/96/289207696.db2.gz NKCMUMQXARCPLB-ROUUACIJSA-N 2 2 286.463 3.472 20 0 CGADLP CC1(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000555525854 289348005 /nfs/dbraw/zinc/34/80/05/289348005.db2.gz ZEHDIARBYOWGNU-ZDUSSCGKSA-N 2 2 264.438 3.275 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422556 289365385 /nfs/dbraw/zinc/36/53/85/289365385.db2.gz NSGTZAVFWXLHJH-CVEARBPZSA-N 2 2 290.451 3.225 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cccc3ccoc32)c[nH+]1 ZINC000556155161 289373966 /nfs/dbraw/zinc/37/39/66/289373966.db2.gz WDWBDUMLAMBXBW-UHFFFAOYSA-N 2 2 269.348 3.199 20 0 CGADLP CCc1cccc(F)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556413264 289390815 /nfs/dbraw/zinc/39/08/15/289390815.db2.gz XYPYJLVAXCPTHC-UHFFFAOYSA-N 2 2 287.382 3.211 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000556583429 289398304 /nfs/dbraw/zinc/39/83/04/289398304.db2.gz ISJWYFWPAXKBLQ-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000556583429 289398305 /nfs/dbraw/zinc/39/83/05/289398305.db2.gz ISJWYFWPAXKBLQ-SFHVURJKSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H](C)C1 ZINC000556608667 289400776 /nfs/dbraw/zinc/40/07/76/289400776.db2.gz QRRHJJFANMVXSW-UMVBOHGHSA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000560263064 289580858 /nfs/dbraw/zinc/58/08/58/289580858.db2.gz VUZSPELTJBOFTM-XOYOTBSWSA-N 2 2 288.435 3.076 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)[NH+](C)C ZINC000560522995 289599465 /nfs/dbraw/zinc/59/94/65/289599465.db2.gz QPAUKJWAOJSBNM-RRFJBIMHSA-N 2 2 258.425 3.081 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000562330970 289692872 /nfs/dbraw/zinc/69/28/72/289692872.db2.gz FSXMOFQHFJAZLP-KBPBESRZSA-N 2 2 281.469 3.173 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338774514 290030736 /nfs/dbraw/zinc/03/07/36/290030736.db2.gz KCOIPIKVDAXHNS-LBCSOOOPSA-N 2 2 284.447 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338774514 290030740 /nfs/dbraw/zinc/03/07/40/290030740.db2.gz KCOIPIKVDAXHNS-LBCSOOOPSA-N 2 2 284.447 3.393 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442871778 293473202 /nfs/dbraw/zinc/47/32/02/293473202.db2.gz GSEMWXOQMNUWKP-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP COc1ccc([C@@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)cc1 ZINC000414666669 295223809 /nfs/dbraw/zinc/22/38/09/295223809.db2.gz GOQVPPVGMAJIBU-INIZCTEOSA-N 2 2 276.424 3.220 20 0 CGADLP COc1ccc([C@@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)cc1 ZINC000414666669 295223811 /nfs/dbraw/zinc/22/38/11/295223811.db2.gz GOQVPPVGMAJIBU-INIZCTEOSA-N 2 2 276.424 3.220 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000425335100 295642103 /nfs/dbraw/zinc/64/21/03/295642103.db2.gz HMBIOJFRMVLEAT-HNKHHVNMSA-N 2 2 278.465 3.161 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC(C)(C)[NH3+])CCCO2 ZINC000423287687 301284380 /nfs/dbraw/zinc/28/43/80/301284380.db2.gz NVYCVKWWRPCHIO-CYBMUJFWSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851839 301365167 /nfs/dbraw/zinc/36/51/67/301365167.db2.gz XNTYZHICEHIYHH-SQWLQELKSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851839 301365171 /nfs/dbraw/zinc/36/51/71/301365171.db2.gz XNTYZHICEHIYHH-SQWLQELKSA-N 2 2 275.440 3.202 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCCS2 ZINC000423207711 302887488 /nfs/dbraw/zinc/88/74/88/302887488.db2.gz SCDCNIBMVBGFAS-DGCLKSJQSA-N 2 2 282.840 3.219 20 0 CGADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423197420 303136732 /nfs/dbraw/zinc/13/67/32/303136732.db2.gz ZHTWILYCKFZIOO-RHSMWYFYSA-N 2 2 276.399 3.399 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423197422 303136757 /nfs/dbraw/zinc/13/67/57/303136757.db2.gz ZHTWILYCKFZIOO-YOEHRIQHSA-N 2 2 276.399 3.399 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCC1 ZINC000423319940 303359672 /nfs/dbraw/zinc/35/96/72/303359672.db2.gz FTIFTVFJANVSFG-ZDUSSCGKSA-N 2 2 280.799 3.025 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000230005328 303378220 /nfs/dbraw/zinc/37/82/20/303378220.db2.gz DHQMBDJWXMTDEG-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000230005328 303378221 /nfs/dbraw/zinc/37/82/21/303378221.db2.gz DHQMBDJWXMTDEG-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000564420014 322030345 /nfs/dbraw/zinc/03/03/45/322030345.db2.gz NDKYEHIIGSPFKU-QPSCCSFWSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000564420014 322030348 /nfs/dbraw/zinc/03/03/48/322030348.db2.gz NDKYEHIIGSPFKU-QPSCCSFWSA-N 2 2 275.440 3.317 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000565673836 322086619 /nfs/dbraw/zinc/08/66/19/322086619.db2.gz GTGYBOVJCQLVDM-FZKCQIBNSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000565673836 322086621 /nfs/dbraw/zinc/08/66/21/322086621.db2.gz GTGYBOVJCQLVDM-FZKCQIBNSA-N 2 2 270.436 3.367 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000566614172 322131449 /nfs/dbraw/zinc/13/14/49/322131449.db2.gz SFUQDJSNXKQAMQ-USJZOSNVSA-N 2 2 298.430 3.451 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000566693028 322134938 /nfs/dbraw/zinc/13/49/38/322134938.db2.gz OWLPYVLMVPHNKX-JYJNAYRXSA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566693028 322134939 /nfs/dbraw/zinc/13/49/39/322134939.db2.gz OWLPYVLMVPHNKX-JYJNAYRXSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC000566996478 322146033 /nfs/dbraw/zinc/14/60/33/322146033.db2.gz BQXRNFXYCKOERI-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC000566996478 322146035 /nfs/dbraw/zinc/14/60/35/322146035.db2.gz BQXRNFXYCKOERI-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC1(F)CCC1 ZINC000567399811 322161780 /nfs/dbraw/zinc/16/17/80/322161780.db2.gz VZOJYFNJXIZNCH-UHFFFAOYSA-N 2 2 250.361 3.195 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568356949 322205788 /nfs/dbraw/zinc/20/57/88/322205788.db2.gz LBBVBLDSQOIUAZ-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568356949 322205790 /nfs/dbraw/zinc/20/57/90/322205790.db2.gz LBBVBLDSQOIUAZ-KBPBESRZSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000569532448 322249511 /nfs/dbraw/zinc/24/95/11/322249511.db2.gz VKZAOSUQHGTIMC-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000569532448 322249512 /nfs/dbraw/zinc/24/95/12/322249512.db2.gz VKZAOSUQHGTIMC-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000569583060 322250874 /nfs/dbraw/zinc/25/08/74/322250874.db2.gz HTDFYCJOJRJMQF-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000569914321 322260240 /nfs/dbraw/zinc/26/02/40/322260240.db2.gz BSMLXNXTPDORBH-KSSFIOAISA-N 2 2 287.451 3.081 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000569914321 322260242 /nfs/dbraw/zinc/26/02/42/322260242.db2.gz BSMLXNXTPDORBH-KSSFIOAISA-N 2 2 287.451 3.081 20 0 CGADLP CN(CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000570039515 322263615 /nfs/dbraw/zinc/26/36/15/322263615.db2.gz YVPKYVLVOTXSFJ-MRXNPFEDSA-N 2 2 298.434 3.116 20 0 CGADLP CN(CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000570039515 322263617 /nfs/dbraw/zinc/26/36/17/322263617.db2.gz YVPKYVLVOTXSFJ-MRXNPFEDSA-N 2 2 298.434 3.116 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000570201032 322267519 /nfs/dbraw/zinc/26/75/19/322267519.db2.gz GXGAYBPWMKYEPG-HNNXBMFYSA-N 2 2 286.423 3.451 20 0 CGADLP CCC[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000570529467 322275836 /nfs/dbraw/zinc/27/58/36/322275836.db2.gz UHKQAICMCNJREG-LSDHHAIUSA-N 2 2 263.429 3.425 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572731999 322352399 /nfs/dbraw/zinc/35/23/99/322352399.db2.gz MDCDJKUIHSDRGY-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572731999 322352400 /nfs/dbraw/zinc/35/24/00/322352400.db2.gz MDCDJKUIHSDRGY-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573505655 322391553 /nfs/dbraw/zinc/39/15/53/322391553.db2.gz KVIJRZGSYKUZSU-PWZRNIHTSA-N 2 2 276.399 3.480 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000573505655 322391555 /nfs/dbraw/zinc/39/15/55/322391555.db2.gz KVIJRZGSYKUZSU-PWZRNIHTSA-N 2 2 276.399 3.480 20 0 CGADLP CC1(C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000573540220 322393357 /nfs/dbraw/zinc/39/33/57/322393357.db2.gz NZUHUIFHFPFOHN-UHFFFAOYSA-N 2 2 282.497 3.128 20 0 CGADLP CCCC[C@@H](CCC)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573936305 322414824 /nfs/dbraw/zinc/41/48/24/322414824.db2.gz ZDIWMHBJDWMOMR-CQSZACIVSA-N 2 2 251.418 3.425 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000574465243 322442273 /nfs/dbraw/zinc/44/22/73/322442273.db2.gz HKMQIAFYWZUVSE-HUUCEWRRSA-N 2 2 280.481 3.389 20 0 CGADLP c1ccc(NC2CC[NH+](CC3=CCCCC3)CC2)[nH+]c1 ZINC000574758555 322455894 /nfs/dbraw/zinc/45/58/94/322455894.db2.gz DXGPMWXINMZHRW-UHFFFAOYSA-N 2 2 271.408 3.458 20 0 CGADLP COc1cccc2c(N[C@H](C)C[N@H+](C)C(C)C)cc[nH+]c12 ZINC000582458946 329060292 /nfs/dbraw/zinc/06/02/92/329060292.db2.gz NRLJEXPQWXWLTG-CYBMUJFWSA-N 2 2 287.407 3.384 20 0 CGADLP COc1cccc2c(N[C@H](C)C[N@@H+](C)C(C)C)cc[nH+]c12 ZINC000582458946 329060294 /nfs/dbraw/zinc/06/02/94/329060294.db2.gz NRLJEXPQWXWLTG-CYBMUJFWSA-N 2 2 287.407 3.384 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423386516 533710908 /nfs/dbraw/zinc/71/09/08/533710908.db2.gz LJCKEQKRKZRQBT-CJNGLKHVSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@H](F)C1 ZINC000576160491 335162527 /nfs/dbraw/zinc/16/25/27/335162527.db2.gz KAVDOAMCZQVNSW-GJZGRUSLSA-N 2 2 250.361 3.193 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000576411027 335200896 /nfs/dbraw/zinc/20/08/96/335200896.db2.gz DGNPXWMYAJWGRK-WMLDXEAASA-N 2 2 296.418 3.026 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000576411027 335200897 /nfs/dbraw/zinc/20/08/97/335200897.db2.gz DGNPXWMYAJWGRK-WMLDXEAASA-N 2 2 296.418 3.026 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000576792492 335248302 /nfs/dbraw/zinc/24/83/02/335248302.db2.gz NTXVPPIHIDGDAQ-TUUVXOQKSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000576792492 335248304 /nfs/dbraw/zinc/24/83/04/335248304.db2.gz NTXVPPIHIDGDAQ-TUUVXOQKSA-N 2 2 262.441 3.194 20 0 CGADLP C[C@H](C[NH2+]CCCc1c(F)cccc1Cl)[N@H+](C)C1CC1 ZINC000581766022 336144275 /nfs/dbraw/zinc/14/42/75/336144275.db2.gz OCFYJOMRUGXNFM-GFCCVEGCSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](C[NH2+]CCCc1c(F)cccc1Cl)[N@@H+](C)C1CC1 ZINC000581766022 336144277 /nfs/dbraw/zinc/14/42/77/336144277.db2.gz OCFYJOMRUGXNFM-GFCCVEGCSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cncs1)C(C)C ZINC000155822067 519643587 /nfs/dbraw/zinc/64/35/87/519643587.db2.gz PETOTBJHFMDTBJ-ZDUSSCGKSA-N 2 2 269.458 3.303 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423233296 533898180 /nfs/dbraw/zinc/89/81/80/533898180.db2.gz DKMKJSMYLPXTJT-FZMZJTMJSA-N 2 2 275.783 3.086 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)oc21 ZINC000423269200 533911303 /nfs/dbraw/zinc/91/13/03/533911303.db2.gz VOUMDEBPJWBNGP-JSGCOSHPSA-N 2 2 290.407 3.465 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354894 534109971 /nfs/dbraw/zinc/10/99/71/534109971.db2.gz SJUADOKUFFLKHS-ZFWWWQNUSA-N 2 2 282.378 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354894 534109981 /nfs/dbraw/zinc/10/99/81/534109981.db2.gz SJUADOKUFFLKHS-ZFWWWQNUSA-N 2 2 282.378 3.457 20 0 CGADLP CC(C)C1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000054556498 519567387 /nfs/dbraw/zinc/56/73/87/519567387.db2.gz NAHGNGTUYULGLZ-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000163414740 519625532 /nfs/dbraw/zinc/62/55/32/519625532.db2.gz SXEOEUYOHOKMLP-LLVKDONJSA-N 2 2 254.340 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000163414740 519625534 /nfs/dbraw/zinc/62/55/34/519625534.db2.gz SXEOEUYOHOKMLP-LLVKDONJSA-N 2 2 254.340 3.037 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]CCC3CCCC3)CC2)c1 ZINC000358077704 534508239 /nfs/dbraw/zinc/50/82/39/534508239.db2.gz BKLBRIFIZBNEFX-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP CCC(O)(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000087015354 521657202 /nfs/dbraw/zinc/65/72/02/521657202.db2.gz COFCEGLTWOCKQW-CQSZACIVSA-N 2 2 287.407 3.074 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000437170404 534643149 /nfs/dbraw/zinc/64/31/49/534643149.db2.gz HRRMXUSXXZUKOT-SNVBAGLBSA-N 2 2 273.207 3.083 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC000075859887 522934746 /nfs/dbraw/zinc/93/47/46/522934746.db2.gz LWWLSEPSZVHJRE-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC000075859887 522934754 /nfs/dbraw/zinc/93/47/54/522934754.db2.gz LWWLSEPSZVHJRE-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnc(Cl)c1 ZINC000075859887 522934767 /nfs/dbraw/zinc/93/47/67/522934767.db2.gz LWWLSEPSZVHJRE-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(Cl)c1 ZINC000075859887 522934776 /nfs/dbraw/zinc/93/47/76/522934776.db2.gz LWWLSEPSZVHJRE-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1cccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000449022048 534693177 /nfs/dbraw/zinc/69/31/77/534693177.db2.gz WQJAAYGXFYBDEG-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000184496349 524195900 /nfs/dbraw/zinc/19/59/00/524195900.db2.gz VLGNGFZAXKFHFG-KGLIPLIRSA-N 2 2 250.386 3.195 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[nH+]1 ZINC000157028141 524680888 /nfs/dbraw/zinc/68/08/88/524680888.db2.gz WYPGSLNPXOCSTJ-CYBMUJFWSA-N 2 2 287.432 3.310 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)[nH+]1 ZINC000157028141 524680899 /nfs/dbraw/zinc/68/08/99/524680899.db2.gz WYPGSLNPXOCSTJ-CYBMUJFWSA-N 2 2 287.432 3.310 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000156439123 525532860 /nfs/dbraw/zinc/53/28/60/525532860.db2.gz BLMQWZBOOBISMJ-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCc2occc2C1 ZINC000290151084 525731102 /nfs/dbraw/zinc/73/11/02/525731102.db2.gz LDGLLXVKDYEGBV-UHFFFAOYSA-N 2 2 270.376 3.364 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCc2occc2C1 ZINC000290151084 525731115 /nfs/dbraw/zinc/73/11/15/525731115.db2.gz LDGLLXVKDYEGBV-UHFFFAOYSA-N 2 2 270.376 3.364 20 0 CGADLP CC(C)c1nc(N2CCC(C[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000518375579 534908469 /nfs/dbraw/zinc/90/84/69/534908469.db2.gz KLLAMZYCZHKEPW-UHFFFAOYSA-N 2 2 290.455 3.157 20 0 CGADLP CC(C)c1nc(N2CCC(C[N@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000518375579 534908477 /nfs/dbraw/zinc/90/84/77/534908477.db2.gz KLLAMZYCZHKEPW-UHFFFAOYSA-N 2 2 290.455 3.157 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1(C)C ZINC000463021675 534914085 /nfs/dbraw/zinc/91/40/85/534914085.db2.gz HMWOCEIFURUJRM-HYVNUMGLSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1(C)C ZINC000463021675 534914086 /nfs/dbraw/zinc/91/40/86/534914086.db2.gz HMWOCEIFURUJRM-HYVNUMGLSA-N 2 2 294.483 3.185 20 0 CGADLP c1ccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156313032 526463775 /nfs/dbraw/zinc/46/37/75/526463775.db2.gz NFBBPPPJESDPCT-SFHVURJKSA-N 2 2 282.387 3.168 20 0 CGADLP c1ccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156313032 526463781 /nfs/dbraw/zinc/46/37/81/526463781.db2.gz NFBBPPPJESDPCT-SFHVURJKSA-N 2 2 282.387 3.168 20 0 CGADLP Cc1nocc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000339295267 526696416 /nfs/dbraw/zinc/69/64/16/526696416.db2.gz KONVHHMLOMBYJP-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000168866609 526701997 /nfs/dbraw/zinc/70/19/97/526701997.db2.gz QLBONMAGYIEFRY-OAHLLOKOSA-N 2 2 299.374 3.186 20 0 CGADLP Clc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156339930 526989575 /nfs/dbraw/zinc/98/95/75/526989575.db2.gz XHKLJNMYICCIAG-HNNXBMFYSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156339930 526989580 /nfs/dbraw/zinc/98/95/80/526989580.db2.gz XHKLJNMYICCIAG-HNNXBMFYSA-N 2 2 288.778 3.388 20 0 CGADLP CC(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000359100999 527741398 /nfs/dbraw/zinc/74/13/98/527741398.db2.gz CAWCBQFFUAFOAT-UHFFFAOYSA-N 2 2 266.351 3.039 20 0 CGADLP CC1(C)C[C@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000425534394 527752906 /nfs/dbraw/zinc/75/29/06/527752906.db2.gz BHHFYTQGENUVAU-MRXNPFEDSA-N 2 2 269.392 3.356 20 0 CGADLP CC1(C)C[C@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000425534394 527752909 /nfs/dbraw/zinc/75/29/09/527752909.db2.gz BHHFYTQGENUVAU-MRXNPFEDSA-N 2 2 269.392 3.356 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000358165767 528117189 /nfs/dbraw/zinc/11/71/89/528117189.db2.gz ORJILNONSDKUDK-ZWKOTPCHSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000358165767 528117196 /nfs/dbraw/zinc/11/71/96/528117196.db2.gz ORJILNONSDKUDK-ZWKOTPCHSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000358236660 528120121 /nfs/dbraw/zinc/12/01/21/528120121.db2.gz ZKOKZRIRYMLIIQ-AWEZNQCLSA-N 2 2 262.372 3.128 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000358236660 528120126 /nfs/dbraw/zinc/12/01/26/528120126.db2.gz ZKOKZRIRYMLIIQ-AWEZNQCLSA-N 2 2 262.372 3.128 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436267380 528138847 /nfs/dbraw/zinc/13/88/47/528138847.db2.gz QSWXFIHZJVEQRW-MSOLQXFVSA-N 2 2 274.452 3.329 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436267383 528139326 /nfs/dbraw/zinc/13/93/26/528139326.db2.gz QSWXFIHZJVEQRW-ROUUACIJSA-N 2 2 274.452 3.329 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423392516 528300758 /nfs/dbraw/zinc/30/07/58/528300758.db2.gz XPIKGRNPUQILQS-UTUOFQBUSA-N 2 2 267.442 3.058 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000423504608 528313026 /nfs/dbraw/zinc/31/30/26/528313026.db2.gz NOCBETNYNHHFKK-AAEUAGOBSA-N 2 2 281.469 3.435 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414958482 528421268 /nfs/dbraw/zinc/42/12/68/528421268.db2.gz OWYJNOHWTIWUIP-SECBINFHSA-N 2 2 292.757 3.029 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423393980 528423455 /nfs/dbraw/zinc/42/34/55/528423455.db2.gz ZCVJIMGIOJWZCV-GHMZBOCLSA-N 2 2 290.329 3.234 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423318606 528512809 /nfs/dbraw/zinc/51/28/09/528512809.db2.gz ZCZLROPQRRTCSS-AWEZNQCLSA-N 2 2 286.366 3.328 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000423313837 528516127 /nfs/dbraw/zinc/51/61/27/528516127.db2.gz VCLAVFLGXKMAPA-CYBMUJFWSA-N 2 2 260.381 3.391 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423306910 528516279 /nfs/dbraw/zinc/51/62/79/528516279.db2.gz FPVXMRZXANDEAA-LLVKDONJSA-N 2 2 270.417 3.198 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000423269485 528535826 /nfs/dbraw/zinc/53/58/26/528535826.db2.gz HJJDCZRSFKVQJH-GJZGRUSLSA-N 2 2 270.367 3.235 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423211144 528600417 /nfs/dbraw/zinc/60/04/17/528600417.db2.gz HZWLYGDDRSQTJR-XJKSGUPXSA-N 2 2 258.365 3.081 20 0 CGADLP CCCCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1(C)C ZINC000437090682 528652232 /nfs/dbraw/zinc/65/22/32/528652232.db2.gz BLGSSSFHMUYVBC-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000428368444 528720832 /nfs/dbraw/zinc/72/08/32/528720832.db2.gz DGRQHWFRRQTWRB-ZDUSSCGKSA-N 2 2 288.395 3.038 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000428368444 528720837 /nfs/dbraw/zinc/72/08/37/528720837.db2.gz DGRQHWFRRQTWRB-ZDUSSCGKSA-N 2 2 288.395 3.038 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000423385933 528724978 /nfs/dbraw/zinc/72/49/78/528724978.db2.gz RLINPMNDRDRJQQ-KGLIPLIRSA-N 2 2 264.413 3.124 20 0 CGADLP CCCc1nc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cs1 ZINC000369343240 528744657 /nfs/dbraw/zinc/74/46/57/528744657.db2.gz LFXHNVNDEDNRHK-UHFFFAOYSA-N 2 2 290.436 3.198 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423294817 528957882 /nfs/dbraw/zinc/95/78/82/528957882.db2.gz CUFPICLOHHUCNT-SJLPKXTDSA-N 2 2 283.419 3.278 20 0 CGADLP CCCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437101267 529005540 /nfs/dbraw/zinc/00/55/40/529005540.db2.gz YTRCDYBVKDBPML-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC)cc1 ZINC000427878226 529019798 /nfs/dbraw/zinc/01/97/98/529019798.db2.gz QEQYCVHETCZKAB-NVXWUHKLSA-N 2 2 299.418 3.338 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423403618 529122732 /nfs/dbraw/zinc/12/27/32/529122732.db2.gz ZEQBLWWIJIGVPZ-HOTGVXAUSA-N 2 2 293.430 3.286 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423237253 529174969 /nfs/dbraw/zinc/17/49/69/529174969.db2.gz HYVLBRUWULNLLF-IAGOWNOFSA-N 2 2 254.377 3.427 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423439797 529180580 /nfs/dbraw/zinc/18/05/80/529180580.db2.gz VMMBQLOJZHGQAE-CVEARBPZSA-N 2 2 296.842 3.149 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423368543 529337983 /nfs/dbraw/zinc/33/79/83/529337983.db2.gz NIFIJPRYUASPMV-DTJGQCLQSA-N 2 2 294.389 3.189 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459669961 534929046 /nfs/dbraw/zinc/92/90/46/534929046.db2.gz VECDDTLMTANYNP-GOEBONIOSA-N 2 2 263.429 3.157 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000128112446 535148465 /nfs/dbraw/zinc/14/84/65/535148465.db2.gz SWWZSPGIDVTPPG-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000128112446 535148472 /nfs/dbraw/zinc/14/84/72/535148472.db2.gz SWWZSPGIDVTPPG-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000749924259 571729055 /nfs/dbraw/zinc/72/90/55/571729055.db2.gz OWMBQNWMASKINF-HALDLXJZSA-N 2 2 269.392 3.397 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881433 571891293 /nfs/dbraw/zinc/89/12/93/571891293.db2.gz BEMOJLMXYFAVBO-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@H]1C ZINC000740881433 571891291 /nfs/dbraw/zinc/89/12/91/571891291.db2.gz BEMOJLMXYFAVBO-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000045094435 572356563 /nfs/dbraw/zinc/35/65/63/572356563.db2.gz ZUTFSXMRROBPEO-CYBMUJFWSA-N 2 2 263.410 3.384 20 0 CGADLP Cc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000748046820 572958559 /nfs/dbraw/zinc/95/85/59/572958559.db2.gz QGTLVZVMKFGVQV-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000748046820 572958561 /nfs/dbraw/zinc/95/85/61/572958561.db2.gz QGTLVZVMKFGVQV-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP COCCCC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000891725586 618263405 /nfs/dbraw/zinc/26/34/05/618263405.db2.gz RWEAFHCGTZKCCG-HNNXBMFYSA-N 2 2 291.439 3.186 20 0 CGADLP COCCCC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000891725586 618263413 /nfs/dbraw/zinc/26/34/13/618263413.db2.gz RWEAFHCGTZKCCG-HNNXBMFYSA-N 2 2 291.439 3.186 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926743371 618856748 /nfs/dbraw/zinc/85/67/48/618856748.db2.gz BVSARERNQKZGNV-ZCJOQKPTSA-N 2 2 294.508 3.410 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926743371 618856749 /nfs/dbraw/zinc/85/67/49/618856749.db2.gz BVSARERNQKZGNV-ZCJOQKPTSA-N 2 2 294.508 3.410 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(F)F ZINC000926843355 618932379 /nfs/dbraw/zinc/93/23/79/618932379.db2.gz WAXAGWPFMYCHCK-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)CC(F)F ZINC000926843355 618932380 /nfs/dbraw/zinc/93/23/80/618932380.db2.gz WAXAGWPFMYCHCK-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926863587 618953576 /nfs/dbraw/zinc/95/35/76/618953576.db2.gz DLEOJNVAGUDERG-MNOVXSKESA-N 2 2 256.340 3.052 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])s1 ZINC000925647579 619106283 /nfs/dbraw/zinc/10/62/83/619106283.db2.gz DMZPGSWDSCNBHK-UXIGCNINSA-N 2 2 289.448 3.233 20 0 CGADLP Oc1cc(Cl)cc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000893360011 619134704 /nfs/dbraw/zinc/13/47/04/619134704.db2.gz CAGFEIZHEBZSKI-UHFFFAOYSA-N 2 2 291.782 3.032 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000094371124 619244950 /nfs/dbraw/zinc/24/49/50/619244950.db2.gz FTPFKSNBASHCOR-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893706491 619296146 /nfs/dbraw/zinc/29/61/46/619296146.db2.gz GZUJVVIBDSEIIK-AWEZNQCLSA-N 2 2 287.407 3.187 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262012278 619521810 /nfs/dbraw/zinc/52/18/10/619521810.db2.gz MIDDUEJLOWDLTR-KSSFIOAISA-N 2 2 298.430 3.406 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262012278 619521815 /nfs/dbraw/zinc/52/18/15/619521815.db2.gz MIDDUEJLOWDLTR-KSSFIOAISA-N 2 2 298.430 3.406 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000895379576 619817328 /nfs/dbraw/zinc/81/73/28/619817328.db2.gz MJPZUOJNOXCTLG-XJKSGUPXSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000895379576 619817330 /nfs/dbraw/zinc/81/73/30/619817330.db2.gz MJPZUOJNOXCTLG-XJKSGUPXSA-N 2 2 291.439 3.104 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000262319818 620074864 /nfs/dbraw/zinc/07/48/64/620074864.db2.gz QWZGEYAQAYLPHP-SJORKVTESA-N 2 2 296.418 3.485 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000925168966 620212737 /nfs/dbraw/zinc/21/27/37/620212737.db2.gz IZCWTKKBYYIGKV-KGLIPLIRSA-N 2 2 261.413 3.175 20 0 CGADLP CNc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000902087719 621141457 /nfs/dbraw/zinc/14/14/57/621141457.db2.gz WNKXDXLLUHBQRP-INIZCTEOSA-N 2 2 286.423 3.129 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902412829 621304011 /nfs/dbraw/zinc/30/40/11/621304011.db2.gz GFMZOPHGZKMHKI-OAHLLOKOSA-N 2 2 274.408 3.105 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438387 621318668 /nfs/dbraw/zinc/31/86/68/621318668.db2.gz NJZYOIGESGRDMZ-ZLKJLUDKSA-N 2 2 286.341 3.322 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000902437834 621318848 /nfs/dbraw/zinc/31/88/48/621318848.db2.gz KRUBKCGUKXYKGD-KZNAEPCWSA-N 2 2 282.362 3.027 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000902437910 621319449 /nfs/dbraw/zinc/31/94/49/621319449.db2.gz KXMIWZQUOYHHIM-IPMKNSEASA-N 2 2 293.414 3.148 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc12 ZINC000902473147 621324755 /nfs/dbraw/zinc/32/47/55/621324755.db2.gz SHVBDAUIGJPAJV-RUZGCFLTSA-N 2 2 296.414 3.392 20 0 CGADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902775782 621434711 /nfs/dbraw/zinc/43/47/11/621434711.db2.gz BPVLCMCNQSHBGZ-KBRIMQKVSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)N(C)C1CC1 ZINC000902794736 621451172 /nfs/dbraw/zinc/45/11/72/621451172.db2.gz YQGNRKJDQPNTOT-HUUCEWRRSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902849186 621472358 /nfs/dbraw/zinc/47/23/58/621472358.db2.gz HYUDGXJNESRFTD-PMPSAXMXSA-N 2 2 299.418 3.338 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902999306 621524114 /nfs/dbraw/zinc/52/41/14/621524114.db2.gz APAQASFLOUZOSH-CJNGLKHVSA-N 2 2 287.407 3.072 20 0 CGADLP COCC1(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903038360 621539098 /nfs/dbraw/zinc/53/90/98/621539098.db2.gz WZTLUMHNPGKZJA-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903055824 621545047 /nfs/dbraw/zinc/54/50/47/621545047.db2.gz CMLHGZBYWPTTAE-GOEBONIOSA-N 2 2 299.418 3.338 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903221855 621633758 /nfs/dbraw/zinc/63/37/58/621633758.db2.gz UYZXBXIOXAVMKS-OWSLCNJRSA-N 2 2 281.403 3.403 20 0 CGADLP C[C@@H](Nc1cccc(C2CC2)[nH+]1)C1CC[NH+](C)CC1 ZINC000903270527 621656458 /nfs/dbraw/zinc/65/64/58/621656458.db2.gz ZYESPWWASCDLPN-GFCCVEGCSA-N 2 2 259.397 3.101 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903331299 621705330 /nfs/dbraw/zinc/70/53/30/621705330.db2.gz MDTSRZRNEXMIQM-KBPBESRZSA-N 2 2 287.407 3.336 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1 ZINC000903452870 621761144 /nfs/dbraw/zinc/76/11/44/621761144.db2.gz TWYHMSCGVWXWIE-ZWKOTPCHSA-N 2 2 291.398 3.095 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1 ZINC000903452870 621761148 /nfs/dbraw/zinc/76/11/48/621761148.db2.gz TWYHMSCGVWXWIE-ZWKOTPCHSA-N 2 2 291.398 3.095 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903794627 621805561 /nfs/dbraw/zinc/80/55/61/621805561.db2.gz AYZJLCBSCAUOCT-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903794627 621805563 /nfs/dbraw/zinc/80/55/63/621805563.db2.gz AYZJLCBSCAUOCT-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000903821399 621815516 /nfs/dbraw/zinc/81/55/16/621815516.db2.gz JSGCJDXBPSARNY-HZPDHXFCSA-N 2 2 272.779 3.054 20 0 CGADLP CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887298 621822416 /nfs/dbraw/zinc/82/24/16/621822416.db2.gz YKNJARRTHBOECZ-MFKMUULPSA-N 2 2 274.330 3.191 20 0 CGADLP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887298 621822417 /nfs/dbraw/zinc/82/24/17/621822417.db2.gz YKNJARRTHBOECZ-MFKMUULPSA-N 2 2 274.330 3.191 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000903881407 621826221 /nfs/dbraw/zinc/82/62/21/621826221.db2.gz ZYMAQUVNLTUHHH-LBPRGKRZSA-N 2 2 288.769 3.287 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000903881407 621826224 /nfs/dbraw/zinc/82/62/24/621826224.db2.gz ZYMAQUVNLTUHHH-LBPRGKRZSA-N 2 2 288.769 3.287 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917098 621835952 /nfs/dbraw/zinc/83/59/52/621835952.db2.gz KTRKFLXVGOEIMC-UONOGXRCSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917098 621835954 /nfs/dbraw/zinc/83/59/54/621835954.db2.gz KTRKFLXVGOEIMC-UONOGXRCSA-N 2 2 282.378 3.075 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)F ZINC000904333600 621908196 /nfs/dbraw/zinc/90/81/96/621908196.db2.gz CNPPECBEJVVDDG-INIZCTEOSA-N 2 2 298.352 3.339 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1C(F)F ZINC000904333600 621908203 /nfs/dbraw/zinc/90/82/03/621908203.db2.gz CNPPECBEJVVDDG-INIZCTEOSA-N 2 2 298.352 3.339 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC000904459241 621923857 /nfs/dbraw/zinc/92/38/57/621923857.db2.gz PNEIDGPCUAZFDM-MORSLUCNSA-N 2 2 266.388 3.004 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000156342599 622812543 /nfs/dbraw/zinc/81/25/43/622812543.db2.gz YBQFMMKPVLAUGI-RWMBFGLXSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2ccccc2s1 ZINC000156342599 622812549 /nfs/dbraw/zinc/81/25/49/622812549.db2.gz YBQFMMKPVLAUGI-RWMBFGLXSA-N 2 2 289.448 3.430 20 0 CGADLP CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230699656 623263574 /nfs/dbraw/zinc/26/35/74/623263574.db2.gz GULTVIYDRAUQFH-GDBMZVCRSA-N 2 2 287.432 3.246 20 0 CGADLP FCc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803821 623696746 /nfs/dbraw/zinc/69/67/46/623696746.db2.gz OFSYEXBGNSMKQI-UHFFFAOYSA-N 2 2 273.355 3.259 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc([NH+](C)C)c(C)c2)CC1 ZINC000153441168 623888308 /nfs/dbraw/zinc/88/83/08/623888308.db2.gz VREXYYFZKUJDIA-UHFFFAOYSA-N 2 2 275.440 3.347 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000929963514 624236616 /nfs/dbraw/zinc/23/66/16/624236616.db2.gz XXAZFXWSWIYAPK-UHFFFAOYSA-N 2 2 264.388 3.119 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000922293094 625993640 /nfs/dbraw/zinc/99/36/40/625993640.db2.gz LKOJEHHGMHFFPX-NUEKZKHPSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000922293094 625993643 /nfs/dbraw/zinc/99/36/43/625993643.db2.gz LKOJEHHGMHFFPX-NUEKZKHPSA-N 2 2 282.497 3.267 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286976 626142656 /nfs/dbraw/zinc/14/26/56/626142656.db2.gz BZHNYBYPZPRZKX-DGCLKSJQSA-N 2 2 295.496 3.308 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286976 626142657 /nfs/dbraw/zinc/14/26/57/626142657.db2.gz BZHNYBYPZPRZKX-DGCLKSJQSA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000923346494 626148890 /nfs/dbraw/zinc/14/88/90/626148890.db2.gz ZGCSZVNSYLZBJU-CHWSQXEVSA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000923346494 626148893 /nfs/dbraw/zinc/14/88/93/626148893.db2.gz ZGCSZVNSYLZBJU-CHWSQXEVSA-N 2 2 295.496 3.308 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532495 626161375 /nfs/dbraw/zinc/16/13/75/626161375.db2.gz CXKMSOVGJANJBW-ZIAGYGMSSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532495 626161377 /nfs/dbraw/zinc/16/13/77/626161377.db2.gz CXKMSOVGJANJBW-ZIAGYGMSSA-N 2 2 272.383 3.030 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc2ccccc2s1 ZINC000020307940 634525711 /nfs/dbraw/zinc/52/57/11/634525711.db2.gz ZNIGVHKEHHFPIH-LBPRGKRZSA-N 2 2 286.404 3.234 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764964217 627234333 /nfs/dbraw/zinc/23/43/33/627234333.db2.gz HADYDNAXDIGLHJ-RCCFBDPRSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764964217 627234335 /nfs/dbraw/zinc/23/43/35/627234335.db2.gz HADYDNAXDIGLHJ-RCCFBDPRSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764964215 627234604 /nfs/dbraw/zinc/23/46/04/627234604.db2.gz HADYDNAXDIGLHJ-OKZBNKHCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000764964215 627234606 /nfs/dbraw/zinc/23/46/06/627234606.db2.gz HADYDNAXDIGLHJ-OKZBNKHCSA-N 2 2 270.420 3.199 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000766192366 627301436 /nfs/dbraw/zinc/30/14/36/627301436.db2.gz UCFZJHJBTFNLTK-CQSZACIVSA-N 2 2 287.451 3.110 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000766329752 627321329 /nfs/dbraw/zinc/32/13/29/627321329.db2.gz PCSNZKVFVYRMGU-PNESKVBLSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000766329752 627321331 /nfs/dbraw/zinc/32/13/31/627321331.db2.gz PCSNZKVFVYRMGU-PNESKVBLSA-N 2 2 278.362 3.039 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000776802400 628232917 /nfs/dbraw/zinc/23/29/17/628232917.db2.gz HUXGFXPHGCPYQT-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000776802400 628232920 /nfs/dbraw/zinc/23/29/20/628232920.db2.gz HUXGFXPHGCPYQT-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC(F)(F)C1 ZINC000862273300 629335597 /nfs/dbraw/zinc/33/55/97/629335597.db2.gz WUYZGWHGYJDNLG-YPMHNXCESA-N 2 2 285.382 3.321 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000863544978 629603345 /nfs/dbraw/zinc/60/33/45/629603345.db2.gz GGCZEXIDUIPISK-ILXRZTDVSA-N 2 2 276.424 3.103 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000865573744 630195091 /nfs/dbraw/zinc/19/50/91/630195091.db2.gz LUFFKRXOSCVGTN-GFCCVEGCSA-N 2 2 275.783 3.019 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@H]3CCCS3)c2)c[nH+]1 ZINC000865724679 630476498 /nfs/dbraw/zinc/47/64/98/630476498.db2.gz CEHSMYPHCLTZLT-CYBMUJFWSA-N 2 2 293.461 3.309 20 0 CGADLP c1cn(CCCC2CC[NH+](Cc3ccoc3)CC2)c[nH+]1 ZINC000809749684 630799591 /nfs/dbraw/zinc/79/95/91/630799591.db2.gz QLQSAMXDPVXZLV-UHFFFAOYSA-N 2 2 273.380 3.169 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817954690 632249228 /nfs/dbraw/zinc/24/92/28/632249228.db2.gz HDHFREXSFZSYOC-TZMCWYRMSA-N 2 2 266.454 3.196 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000817962779 632257276 /nfs/dbraw/zinc/25/72/76/632257276.db2.gz PICRLSSCELYUGO-MRXNPFEDSA-N 2 2 276.424 3.052 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817971282 632264761 /nfs/dbraw/zinc/26/47/61/632264761.db2.gz BUQLTZGWXMQADI-RKDXNWHRSA-N 2 2 290.238 3.224 20 0 CGADLP CCC(CC)(C[NH2+]Cc1c[nH+]c(C)n1C)C(F)(F)F ZINC000865756393 632880145 /nfs/dbraw/zinc/88/01/45/632880145.db2.gz LXXBOKKFANWCCW-UHFFFAOYSA-N 2 2 277.334 3.187 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866342988 633089397 /nfs/dbraw/zinc/08/93/97/633089397.db2.gz JBHVHRRHZBCZQI-BLLLJJGKSA-N 2 2 285.366 3.004 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866342994 633090245 /nfs/dbraw/zinc/09/02/45/633090245.db2.gz JBHVHRRHZBCZQI-WBMJQRKESA-N 2 2 285.366 3.004 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000824098733 633194932 /nfs/dbraw/zinc/19/49/32/633194932.db2.gz MYMWOOBCSPUJNE-CHWSQXEVSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000824098733 633194934 /nfs/dbraw/zinc/19/49/34/633194934.db2.gz MYMWOOBCSPUJNE-CHWSQXEVSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@@H+]1C ZINC000866574178 633201076 /nfs/dbraw/zinc/20/10/76/633201076.db2.gz QGOWJOVRGNTBII-CHWSQXEVSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574178 633201078 /nfs/dbraw/zinc/20/10/78/633201078.db2.gz QGOWJOVRGNTBII-CHWSQXEVSA-N 2 2 264.413 3.149 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866705611 633234604 /nfs/dbraw/zinc/23/46/04/633234604.db2.gz DUOXGTNWMNYHSG-MRXNPFEDSA-N 2 2 295.496 3.293 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866705611 633234608 /nfs/dbraw/zinc/23/46/08/633234608.db2.gz DUOXGTNWMNYHSG-MRXNPFEDSA-N 2 2 295.496 3.293 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872021703 633942549 /nfs/dbraw/zinc/94/25/49/633942549.db2.gz SPZJJGFSEKDKLB-CYBMUJFWSA-N 2 2 294.414 3.302 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@H]1CCCOC1 ZINC000872024320 633944316 /nfs/dbraw/zinc/94/43/16/633944316.db2.gz QCQCJAHUPUHKNL-JYJNAYRXSA-N 2 2 293.455 3.093 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000872029275 633948260 /nfs/dbraw/zinc/94/82/60/633948260.db2.gz VRFXMCCJQHKFCW-SJORKVTESA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000872040059 633960748 /nfs/dbraw/zinc/96/07/48/633960748.db2.gz WSGXAJAXSLPYLN-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000872040059 633960753 /nfs/dbraw/zinc/96/07/53/633960753.db2.gz WSGXAJAXSLPYLN-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)C1CCCCC1 ZINC000872144227 634064354 /nfs/dbraw/zinc/06/43/54/634064354.db2.gz CTWJTLNHEXFXHM-ZDUSSCGKSA-N 2 2 290.329 3.296 20 0 CGADLP CSC(C)(C)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000877157882 635003300 /nfs/dbraw/zinc/00/33/00/635003300.db2.gz XJNKFQFNVDIICO-UHFFFAOYSA-N 2 2 267.442 3.005 20 0 CGADLP Cc1cc([NH+](C)C)cc(C)c1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841012058 635106186 /nfs/dbraw/zinc/10/61/86/635106186.db2.gz XSBULZZEEIMICE-LSDHHAIUSA-N 2 2 275.440 3.169 20 0 CGADLP Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841012058 635106190 /nfs/dbraw/zinc/10/61/90/635106190.db2.gz XSBULZZEEIMICE-LSDHHAIUSA-N 2 2 275.440 3.169 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163359 635388072 /nfs/dbraw/zinc/38/80/72/635388072.db2.gz QQSIRUIBKCXGFA-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163359 635388076 /nfs/dbraw/zinc/38/80/76/635388076.db2.gz QQSIRUIBKCXGFA-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163359 635388080 /nfs/dbraw/zinc/38/80/80/635388080.db2.gz QQSIRUIBKCXGFA-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163359 635388081 /nfs/dbraw/zinc/38/80/81/635388081.db2.gz QQSIRUIBKCXGFA-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000843360296 635654067 /nfs/dbraw/zinc/65/40/67/635654067.db2.gz MPKOPQMDQXQAMA-ZXFUBFMLSA-N 2 2 297.402 3.186 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000843360296 635654069 /nfs/dbraw/zinc/65/40/69/635654069.db2.gz MPKOPQMDQXQAMA-ZXFUBFMLSA-N 2 2 297.402 3.186 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581796 635816734 /nfs/dbraw/zinc/81/67/34/635816734.db2.gz OHMIXHNQAQQGEK-LSDHHAIUSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581796 635816737 /nfs/dbraw/zinc/81/67/37/635816737.db2.gz OHMIXHNQAQQGEK-LSDHHAIUSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581796 635816739 /nfs/dbraw/zinc/81/67/39/635816739.db2.gz OHMIXHNQAQQGEK-LSDHHAIUSA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@H]21 ZINC000879581796 635816743 /nfs/dbraw/zinc/81/67/43/635816743.db2.gz OHMIXHNQAQQGEK-LSDHHAIUSA-N 2 2 280.362 3.150 20 0 CGADLP FC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000880234971 635946694 /nfs/dbraw/zinc/94/66/94/635946694.db2.gz XAFKSOYTMQLKCU-OAHLLOKOSA-N 2 2 273.355 3.054 20 0 CGADLP FC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000880234971 635946696 /nfs/dbraw/zinc/94/66/96/635946696.db2.gz XAFKSOYTMQLKCU-OAHLLOKOSA-N 2 2 273.355 3.054 20 0 CGADLP CC1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880568977 636022780 /nfs/dbraw/zinc/02/27/80/636022780.db2.gz FSXPSZDOBCSVNK-INIZCTEOSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000848568780 636611594 /nfs/dbraw/zinc/61/15/94/636611594.db2.gz QWFOHIHTZNIMGD-AEGPPILISA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccnc(Cl)c1 ZINC000848568780 636611599 /nfs/dbraw/zinc/61/15/99/636611599.db2.gz QWFOHIHTZNIMGD-AEGPPILISA-N 2 2 293.842 3.403 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292948 636654876 /nfs/dbraw/zinc/65/48/76/636654876.db2.gz DWGXQMUODRVXAN-ZDUSSCGKSA-N 2 2 281.831 3.006 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292948 636654882 /nfs/dbraw/zinc/65/48/82/636654882.db2.gz DWGXQMUODRVXAN-ZDUSSCGKSA-N 2 2 281.831 3.006 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCOC1 ZINC000883387166 636729226 /nfs/dbraw/zinc/72/92/26/636729226.db2.gz SLDZRQAWBNNGJO-OKZBNKHCSA-N 2 2 299.418 3.029 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2C=CCC2)C[N@@H+]1Cc1ccccc1 ZINC000850359109 637028382 /nfs/dbraw/zinc/02/83/82/637028382.db2.gz WQMJWPGFGSFRPO-DLBZAZTESA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2C=CCC2)C[N@H+]1Cc1ccccc1 ZINC000850359109 637028384 /nfs/dbraw/zinc/02/83/84/637028384.db2.gz WQMJWPGFGSFRPO-DLBZAZTESA-N 2 2 270.420 3.348 20 0 CGADLP C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850421388 637054893 /nfs/dbraw/zinc/05/48/93/637054893.db2.gz TUWRZUHVOSHJRQ-GDBMZVCRSA-N 2 2 297.402 3.235 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000135164176 637096017 /nfs/dbraw/zinc/09/60/17/637096017.db2.gz OIRWHXMUCPOPKZ-HIFRSBDPSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1[nH]c(C2CCN(c3cc[nH+]cc3Cl)CC2)[nH+]c1C ZINC000884706807 637132132 /nfs/dbraw/zinc/13/21/32/637132132.db2.gz OSNZOQNFIXTDTE-UHFFFAOYSA-N 2 2 290.798 3.459 20 0 CGADLP Cc1[nH]c(C2CCN(c3cc(C)cc[nH+]3)CC2)[nH+]c1C ZINC000884707435 637132597 /nfs/dbraw/zinc/13/25/97/637132597.db2.gz LGJOCDZVYSSLKD-UHFFFAOYSA-N 2 2 270.380 3.114 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000221972108 637771198 /nfs/dbraw/zinc/77/11/98/637771198.db2.gz JUYKAKCKJTVRIK-PBHICJAKSA-N 2 2 280.431 3.323 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000300411691 637837284 /nfs/dbraw/zinc/83/72/84/637837284.db2.gz PEBJIZPNDWTARF-KLHDSHLOSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000300411691 637837286 /nfs/dbraw/zinc/83/72/86/637837286.db2.gz PEBJIZPNDWTARF-KLHDSHLOSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC000924539111 638355864 /nfs/dbraw/zinc/35/58/64/638355864.db2.gz ATCMDGJUGSPJQU-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924576939 638366337 /nfs/dbraw/zinc/36/63/37/638366337.db2.gz FIWSZHWMXZAIQE-LBPRGKRZSA-N 2 2 280.387 3.056 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924580749 638366879 /nfs/dbraw/zinc/36/68/79/638366879.db2.gz YPSSZYYDGPGUJQ-HNNXBMFYSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1coc2ccccc12 ZINC000924650336 638384088 /nfs/dbraw/zinc/38/40/88/638384088.db2.gz VEFOSDDGKQXCNC-STQMWFEESA-N 2 2 269.348 3.369 20 0 CGADLP c1cn(CCCC[NH2+][C@H](c2ccccn2)C2CCC2)c[nH+]1 ZINC000924729800 638395719 /nfs/dbraw/zinc/39/57/19/638395719.db2.gz BMFOPTCOSJLVRD-KRWDZBQOSA-N 2 2 284.407 3.189 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000924928578 638425202 /nfs/dbraw/zinc/42/52/02/638425202.db2.gz YJFFPPSKUNCSIF-GFCCVEGCSA-N 2 2 288.395 3.229 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCC[NH2+][C@H]3C)cc2c1C ZINC000925472880 638507301 /nfs/dbraw/zinc/50/73/01/638507301.db2.gz JOPPHSWLULKQLI-XJKSGUPXSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000925602048 638542756 /nfs/dbraw/zinc/54/27/56/638542756.db2.gz QYCOIRKLFCMAEF-RHSMWYFYSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ncsc2c1 ZINC000925641623 638553682 /nfs/dbraw/zinc/55/36/82/638553682.db2.gz CARKELGDTMVMLO-XHDPSFHLSA-N 2 2 287.432 3.232 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925672564 638564973 /nfs/dbraw/zinc/56/49/73/638564973.db2.gz WDTAKUKMKVGKEN-YJBOKZPZSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925719471 638578948 /nfs/dbraw/zinc/57/89/48/638578948.db2.gz SQFZDKQITAOPJQ-BXUZGUMPSA-N 2 2 286.341 3.022 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000925776003 638609132 /nfs/dbraw/zinc/60/91/32/638609132.db2.gz TXWCLEDTZAJFLP-BHYGNILZSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cnc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(C)c1 ZINC000925830823 638625366 /nfs/dbraw/zinc/62/53/66/638625366.db2.gz FUWWBNNWBCSTQT-QZTJIDSGSA-N 2 2 295.430 3.281 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CC(Sc3ccccc3)C1)CC2 ZINC000926229257 638746941 /nfs/dbraw/zinc/74/69/41/638746941.db2.gz LITJREPMPIYSGO-HLIUYOAVSA-N 2 2 299.443 3.111 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926343978 638764554 /nfs/dbraw/zinc/76/45/54/638764554.db2.gz IJGXODODDKXMKO-BFHYXJOUSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926343978 638764556 /nfs/dbraw/zinc/76/45/56/638764556.db2.gz IJGXODODDKXMKO-BFHYXJOUSA-N 2 2 272.383 3.028 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000926762189 638808528 /nfs/dbraw/zinc/80/85/28/638808528.db2.gz LVXNRXPTHUBHPD-SJFVDLKVSA-N 2 2 280.481 3.020 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000926762189 638808529 /nfs/dbraw/zinc/80/85/29/638808529.db2.gz LVXNRXPTHUBHPD-SJFVDLKVSA-N 2 2 280.481 3.020 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926948007 638828416 /nfs/dbraw/zinc/82/84/16/638828416.db2.gz AMAMVCMCAINXHC-APWZRJJASA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926948007 638828418 /nfs/dbraw/zinc/82/84/18/638828418.db2.gz AMAMVCMCAINXHC-APWZRJJASA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC=CC1 ZINC000926948014 638828435 /nfs/dbraw/zinc/82/84/35/638828435.db2.gz AMAMVCMCAINXHC-VQIMIIECSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC=CC1 ZINC000926948014 638828437 /nfs/dbraw/zinc/82/84/37/638828437.db2.gz AMAMVCMCAINXHC-VQIMIIECSA-N 2 2 299.462 3.238 20 0 CGADLP CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927023222 638832873 /nfs/dbraw/zinc/83/28/73/638832873.db2.gz CQYASOLCPGKDLY-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927022301 638833079 /nfs/dbraw/zinc/83/30/79/638833079.db2.gz QDYZHMFXZHZTTE-CRAIPNDOSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104203 638842759 /nfs/dbraw/zinc/84/27/59/638842759.db2.gz JVMGJFKYBGHQMD-BQFCYCMXSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927104203 638842760 /nfs/dbraw/zinc/84/27/60/638842760.db2.gz JVMGJFKYBGHQMD-BQFCYCMXSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930128525 638976915 /nfs/dbraw/zinc/97/69/15/638976915.db2.gz FGAHNMKKURILJK-KGLIPLIRSA-N 2 2 259.397 3.004 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931022822 639099643 /nfs/dbraw/zinc/09/96/43/639099643.db2.gz TUWKZFWHVKMZLI-CABCVRRESA-N 2 2 291.439 3.242 20 0 CGADLP Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859213514 639110750 /nfs/dbraw/zinc/11/07/50/639110750.db2.gz WIGVXUZYVGNOJX-CQSZACIVSA-N 2 2 287.407 3.238 20 0 CGADLP Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859213514 639110752 /nfs/dbraw/zinc/11/07/52/639110752.db2.gz WIGVXUZYVGNOJX-CQSZACIVSA-N 2 2 287.407 3.238 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](CCc2ccns2)CC1 ZINC000931612453 639178985 /nfs/dbraw/zinc/17/89/85/639178985.db2.gz PVKOWIAWMLYXJK-UHFFFAOYSA-N 2 2 293.480 3.026 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)c[nH+]1 ZINC000934391896 639602012 /nfs/dbraw/zinc/60/20/12/639602012.db2.gz XNWHETWOIWHPTA-KRWDZBQOSA-N 2 2 297.402 3.064 20 0 CGADLP Cc1cccc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)c1C ZINC000934846190 639690068 /nfs/dbraw/zinc/69/00/68/639690068.db2.gz QVHVOYRCHFHBFB-UHFFFAOYSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cccc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)c1C ZINC000934846190 639690072 /nfs/dbraw/zinc/69/00/72/639690072.db2.gz QVHVOYRCHFHBFB-UHFFFAOYSA-N 2 2 295.430 3.369 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C12CCCC2 ZINC000250489567 640813639 /nfs/dbraw/zinc/81/36/39/640813639.db2.gz HYMDZSABODYNPK-YESZJQIVSA-N 2 2 294.483 3.188 20 0 CGADLP [NH2+]=C(Nc1cc(Cl)nc2c(F)cccc12)SCC[NH3+] ZINC001157137200 805781406 /nfs/dbraw/zinc/78/14/06/805781406.db2.gz VLARKRYXVDWIDJ-UHFFFAOYSA-N 2 2 298.774 3.066 20 0 CGADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159167538 806054852 /nfs/dbraw/zinc/05/48/52/806054852.db2.gz OBKVNGMGFYSGPS-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP Clc1cc(Nc2cccc3c2CC[NH2+]C3)cn2cc[nH+]c12 ZINC001159266967 806070666 /nfs/dbraw/zinc/07/06/66/806070666.db2.gz VFHFKQKOLNJSHD-UHFFFAOYSA-N 2 2 298.777 3.377 20 0 CGADLP CNc1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)c[nH+]1 ZINC001159757239 806166603 /nfs/dbraw/zinc/16/66/03/806166603.db2.gz NIGUIJJPSGYATO-UHFFFAOYSA-N 2 2 282.391 3.334 20 0 CGADLP Cc1cc(Nc2ccccc2CC[NH3+])ccc1[NH+](C)C ZINC001159997711 806210701 /nfs/dbraw/zinc/21/07/01/806210701.db2.gz LSQCCXIKBWTYTO-UHFFFAOYSA-N 2 2 269.392 3.306 20 0 CGADLP [NH3+]CCc1cccc(Nc2[nH+]ccc3c4c([nH]c32)CCC4)c1 ZINC001161081516 806347560 /nfs/dbraw/zinc/34/75/60/806347560.db2.gz DIDPFXRNPZRNJT-UHFFFAOYSA-N 2 2 292.386 3.296 20 0 CGADLP c1cn2cc(C[NH2+]C3CCc4ccccc4CC3)ccc2[nH+]1 ZINC001254456033 806408347 /nfs/dbraw/zinc/40/83/47/806408347.db2.gz UFXDMALKZILFLU-UHFFFAOYSA-N 2 2 291.398 3.372 20 0 CGADLP c1[nH+]c(CNc2[nH+]ccc3ccccc32)c2ccccn12 ZINC001161680913 806416686 /nfs/dbraw/zinc/41/66/86/806416686.db2.gz SGSXJZXEHJPSNV-UHFFFAOYSA-N 2 2 274.327 3.495 20 0 CGADLP c1ccc(CCCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845847 806496907 /nfs/dbraw/zinc/49/69/07/806496907.db2.gz QYWNWILRPIIOMY-SFHVURJKSA-N 2 2 272.436 3.083 20 0 CGADLP CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254847912 806497122 /nfs/dbraw/zinc/49/71/22/806497122.db2.gz KRVMBJWJWPVGQT-ZDUSSCGKSA-N 2 2 272.383 3.028 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254850087 806499276 /nfs/dbraw/zinc/49/92/76/806499276.db2.gz DDQLPYUXZPMVES-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP CC(C)(Cc1cccc(F)c1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848893 806499403 /nfs/dbraw/zinc/49/94/03/806499403.db2.gz YJWLWBCHZRNWEX-QGZVFWFLSA-N 2 2 290.426 3.221 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC001255300805 806600218 /nfs/dbraw/zinc/60/02/18/806600218.db2.gz AXYWOYYZIUMONN-HNNXBMFYSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC001255300805 806600224 /nfs/dbraw/zinc/60/02/24/806600224.db2.gz AXYWOYYZIUMONN-HNNXBMFYSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001255326048 806613046 /nfs/dbraw/zinc/61/30/46/806613046.db2.gz NXHKALWXFAQCCF-RYQLBKOJSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001255326048 806613051 /nfs/dbraw/zinc/61/30/51/806613051.db2.gz NXHKALWXFAQCCF-RYQLBKOJSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001255326048 806613054 /nfs/dbraw/zinc/61/30/54/806613054.db2.gz NXHKALWXFAQCCF-RYQLBKOJSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001255326048 806613061 /nfs/dbraw/zinc/61/30/61/806613061.db2.gz NXHKALWXFAQCCF-RYQLBKOJSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001255325897 806613156 /nfs/dbraw/zinc/61/31/56/806613156.db2.gz KXAZVVOXAQOFEZ-GVDBMIGSSA-N 2 2 287.451 3.024 20 0 CGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccn3cc[nH+]c3c2)c1 ZINC001162910448 806684248 /nfs/dbraw/zinc/68/42/48/806684248.db2.gz UDDTUGZACPBZIY-GFCCVEGCSA-N 2 2 276.343 3.298 20 0 CGADLP C[C@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001255646654 806693139 /nfs/dbraw/zinc/69/31/39/806693139.db2.gz RAMPFQFUWRJYRR-GFCCVEGCSA-N 2 2 278.362 3.278 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccco1 ZINC000037156621 798861518 /nfs/dbraw/zinc/86/15/18/798861518.db2.gz XRSRLUUDYNCSKT-OCCSQVGLSA-N 2 2 261.369 3.242 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000037904722 798878891 /nfs/dbraw/zinc/87/88/91/798878891.db2.gz MQOOYVZFPRCNGJ-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000037904722 798878897 /nfs/dbraw/zinc/87/88/97/798878897.db2.gz MQOOYVZFPRCNGJ-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151109184 799054561 /nfs/dbraw/zinc/05/45/61/799054561.db2.gz VVFSYZSXYYDNLA-MRXNPFEDSA-N 2 2 271.408 3.193 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255725189 806720135 /nfs/dbraw/zinc/72/01/35/806720135.db2.gz VTLLHXBIXMHNET-CHWSQXEVSA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255725189 806720140 /nfs/dbraw/zinc/72/01/40/806720140.db2.gz VTLLHXBIXMHNET-CHWSQXEVSA-N 2 2 289.345 3.326 20 0 CGADLP [NH3+]CC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000312592692 799228556 /nfs/dbraw/zinc/22/85/56/799228556.db2.gz ACTBENJSQLHELC-UHFFFAOYSA-N 2 2 279.236 3.226 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000381056705 799370698 /nfs/dbraw/zinc/37/06/98/799370698.db2.gz LTVPPDIQSDRBOE-BFULIRAUSA-N 2 2 288.460 3.056 20 0 CGADLP Cc1cc(N2C[C@H](C[NH3+])CC[C@@H]2C)[nH+]c2ccccc12 ZINC000383699251 799407270 /nfs/dbraw/zinc/40/72/70/799407270.db2.gz APWJOFCXFVRDPE-KBPBESRZSA-N 2 2 269.392 3.107 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000399209609 799537161 /nfs/dbraw/zinc/53/71/61/799537161.db2.gz QEVMHUTXVGPSQM-LBPRGKRZSA-N 2 2 291.266 3.034 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001255854657 806770207 /nfs/dbraw/zinc/77/02/07/806770207.db2.gz QNBSATVCSKPCOM-AWEZNQCLSA-N 2 2 287.382 3.290 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888611 806784376 /nfs/dbraw/zinc/78/43/76/806784376.db2.gz PFRMCMARJJPDET-IRXDYDNUSA-N 2 2 299.462 3.168 20 0 CGADLP CC1(C)C[C@@]1(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000702031695 799902060 /nfs/dbraw/zinc/90/20/60/799902060.db2.gz ZVSCXSUKCVHUJE-KRWDZBQOSA-N 2 2 273.424 3.076 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001255942811 806791097 /nfs/dbraw/zinc/79/10/97/806791097.db2.gz IIVAENVJCVNNSK-LBPRGKRZSA-N 2 2 270.367 3.175 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(OC)c1F ZINC001255950239 806794239 /nfs/dbraw/zinc/79/42/39/806794239.db2.gz FZUKCXUGSNMIOB-ZDUSSCGKSA-N 2 2 282.403 3.044 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC(C)C)ccn1 ZINC001255953464 806797346 /nfs/dbraw/zinc/79/73/46/806797346.db2.gz KLMHWUGLFZAZPA-HNNXBMFYSA-N 2 2 293.455 3.079 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC001255954581 806797973 /nfs/dbraw/zinc/79/79/73/806797973.db2.gz YBXIUUDDMSBXSP-DOMZBBRYSA-N 2 2 296.842 3.484 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccc(F)cc2C1 ZINC001255965134 806801277 /nfs/dbraw/zinc/80/12/77/806801277.db2.gz YESWXRNMFKFWDR-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccc(F)cc2C1 ZINC001255965134 806801283 /nfs/dbraw/zinc/80/12/83/806801283.db2.gz YESWXRNMFKFWDR-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC(C)c1cc(NCC[C@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001163701702 806801749 /nfs/dbraw/zinc/80/17/49/806801749.db2.gz UNOZGIBJCSFHGE-ZDUSSCGKSA-N 2 2 278.444 3.476 20 0 CGADLP COc1ccccc1[C@@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081006 806817365 /nfs/dbraw/zinc/81/73/65/806817365.db2.gz KXCUAOPWINQKQI-CQSZACIVSA-N 2 2 288.435 3.315 20 0 CGADLP COc1ccccc1[C@@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081006 806817373 /nfs/dbraw/zinc/81/73/73/806817373.db2.gz KXCUAOPWINQKQI-CQSZACIVSA-N 2 2 288.435 3.315 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000721630406 800298378 /nfs/dbraw/zinc/29/83/78/800298378.db2.gz FOSFRMJZFVMYDL-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](C[NH+](C)C)Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001163778559 806823786 /nfs/dbraw/zinc/82/37/86/806823786.db2.gz JHWSCDLPNKWVBK-CQSZACIVSA-N 2 2 285.391 3.023 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001256207545 806849566 /nfs/dbraw/zinc/84/95/66/806849566.db2.gz MGBPIGMPBZEDLQ-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001256207545 806849574 /nfs/dbraw/zinc/84/95/74/806849574.db2.gz MGBPIGMPBZEDLQ-MRXNPFEDSA-N 2 2 262.372 3.057 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001256574914 806920705 /nfs/dbraw/zinc/92/07/05/806920705.db2.gz GTMJEAUCVBDRPG-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC1(F)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256603990 806923417 /nfs/dbraw/zinc/92/34/17/806923417.db2.gz LJUHNBKOQPDZNG-UHFFFAOYSA-N 2 2 290.426 3.475 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120921873 802794375 /nfs/dbraw/zinc/79/43/75/802794375.db2.gz VYALNNCOGNELGC-KBPBESRZSA-N 2 2 259.397 3.147 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120921873 802794380 /nfs/dbraw/zinc/79/43/80/802794380.db2.gz VYALNNCOGNELGC-KBPBESRZSA-N 2 2 259.397 3.147 20 0 CGADLP [NH3+]CCOc1cccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001244326414 803305320 /nfs/dbraw/zinc/30/53/20/803305320.db2.gz LWHZPTDLUSLUEL-UHFFFAOYSA-N 2 2 297.333 3.016 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc3[nH+]ccn3c2C)c1F ZINC001244862482 803553533 /nfs/dbraw/zinc/55/35/33/803553533.db2.gz FBWHPHHCVCLNOP-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc(C)c3[nH+]ccn3c2)c1F ZINC001244863596 803554577 /nfs/dbraw/zinc/55/45/77/803554577.db2.gz XGAMJRURRVKHRQ-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc2c(c1)C[NH2+]C2 ZINC001245196911 803660983 /nfs/dbraw/zinc/66/09/83/803660983.db2.gz MYYYHNNVMFSACE-UHFFFAOYSA-N 2 2 275.355 3.202 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1cccc2c1C[NH2+]C2 ZINC001245197297 803661055 /nfs/dbraw/zinc/66/10/55/803661055.db2.gz PQPSMEHRSYOLID-UHFFFAOYSA-N 2 2 275.355 3.202 20 0 CGADLP COc1c(C)cccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001245362591 803713468 /nfs/dbraw/zinc/71/34/68/803713468.db2.gz WIJKEKCWAULRJB-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001245362591 803713470 /nfs/dbraw/zinc/71/34/70/803713470.db2.gz WIJKEKCWAULRJB-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccc(C3CC[NH2+]CC3)cc2)c[nH+]c1N ZINC001245527567 803790789 /nfs/dbraw/zinc/79/07/89/803790789.db2.gz XABPHBPJXXGWKI-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP Cc1cc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c[nH+]c1N ZINC001245535796 803794031 /nfs/dbraw/zinc/79/40/31/803794031.db2.gz ABYLJCIDSIGQHU-UHFFFAOYSA-N 2 2 293.414 3.207 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138410957 803921519 /nfs/dbraw/zinc/92/15/19/803921519.db2.gz JUJCZLMEIXKRKX-UHFFFAOYSA-N 2 2 289.398 3.141 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138410957 803921524 /nfs/dbraw/zinc/92/15/24/803921524.db2.gz JUJCZLMEIXKRKX-UHFFFAOYSA-N 2 2 289.398 3.141 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246078077 804116632 /nfs/dbraw/zinc/11/66/32/804116632.db2.gz GAOXCBPVIXJGKB-KXBFYZLASA-N 2 2 282.431 3.470 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246091335 804124415 /nfs/dbraw/zinc/12/44/15/804124415.db2.gz PJACUWVMCABLOU-LSDHHAIUSA-N 2 2 278.465 3.207 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246106164 804138424 /nfs/dbraw/zinc/13/84/24/804138424.db2.gz DYZPXHMIGNCGNK-NCOADZHNSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1F ZINC001246109567 804141248 /nfs/dbraw/zinc/14/12/48/804141248.db2.gz YDHXWGINDKEARG-MXWKQRLJSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246115113 804146973 /nfs/dbraw/zinc/14/69/73/804146973.db2.gz GIGNXBAGIAJSLT-WDMOLILDSA-N 2 2 284.856 3.018 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+][C@H]3c3ccccc3)C[C@@H]21 ZINC001246140601 804163908 /nfs/dbraw/zinc/16/39/08/804163908.db2.gz GYDUQFFIRULSSZ-JJTUDDRGSA-N 2 2 270.420 3.114 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246142320 804164792 /nfs/dbraw/zinc/16/47/92/804164792.db2.gz NGEZFBXTDZOLOU-LLLHUVSDSA-N 2 2 258.409 3.258 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246160956 804176965 /nfs/dbraw/zinc/17/69/65/804176965.db2.gz WGGROQNRMXJWQU-DZGCQCFKSA-N 2 2 282.378 3.221 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246164592 804181321 /nfs/dbraw/zinc/18/13/21/804181321.db2.gz XMDFPNMITWFPRN-GXTWGEPZSA-N 2 2 284.806 3.345 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246164594 804181355 /nfs/dbraw/zinc/18/13/55/804181355.db2.gz XMDFPNMITWFPRN-OCCSQVGLSA-N 2 2 284.806 3.345 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)c[nH+]1 ZINC001139356156 804181906 /nfs/dbraw/zinc/18/19/06/804181906.db2.gz FZXOVSCUJCWCIZ-IRXDYDNUSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]4C3)cc2)c[nH+]1 ZINC001139356156 804181907 /nfs/dbraw/zinc/18/19/07/804181907.db2.gz FZXOVSCUJCWCIZ-IRXDYDNUSA-N 2 2 281.403 3.494 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C2 ZINC001246278455 804254748 /nfs/dbraw/zinc/25/47/48/804254748.db2.gz HIJWDQAPJQNITQ-MJGOQNOKSA-N 2 2 280.415 3.142 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC001246295906 804264086 /nfs/dbraw/zinc/26/40/86/804264086.db2.gz YXNXZVKLFUZWHM-YJBOKZPZSA-N 2 2 268.404 3.216 20 0 CGADLP CCCCCC1CCC([NH2+][C@H](C)[C@H]2C[NH2+]CCO2)CC1 ZINC001246295970 804264847 /nfs/dbraw/zinc/26/48/47/804264847.db2.gz QGWSSNVICIJVMN-RDHHWEPZSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C[NH2+]1 ZINC001246312822 804273141 /nfs/dbraw/zinc/27/31/41/804273141.db2.gz BEFIWJHUGZDKHJ-PBHICJAKSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2cccc(Cl)c2)C[NH2+]1 ZINC001246312525 804273367 /nfs/dbraw/zinc/27/33/67/804273367.db2.gz SKLSGEGKVWCYBD-BXUZGUMPSA-N 2 2 266.816 3.305 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)C[NH2+]1 ZINC001246348593 804298167 /nfs/dbraw/zinc/29/81/67/804298167.db2.gz SFNZOKBRSSDUNL-HIFRSBDPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(F)c1F ZINC001246349316 804298558 /nfs/dbraw/zinc/29/85/58/804298558.db2.gz KHWRKTVIPHBTSP-SDDRHHMPSA-N 2 2 268.351 3.064 20 0 CGADLP Clc1cccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246366199 804305426 /nfs/dbraw/zinc/30/54/26/804305426.db2.gz NACYGTAAJSBALT-HNNXBMFYSA-N 2 2 278.827 3.451 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246403378 804321799 /nfs/dbraw/zinc/32/17/99/804321799.db2.gz MACUINWUSYQNMF-SZMVWBNQSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246403378 804321809 /nfs/dbraw/zinc/32/18/09/804321809.db2.gz MACUINWUSYQNMF-SZMVWBNQSA-N 3 2 293.499 3.033 20 0 CGADLP Cc1cccc(C2([NH2+][C@H]3CC[NH2+]C3)CCC(F)(F)CC2)c1 ZINC001246407389 804322941 /nfs/dbraw/zinc/32/29/41/804322941.db2.gz QGVYTZFYXNKBJQ-HNNXBMFYSA-N 2 2 294.389 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C)c1C ZINC001246476796 804352873 /nfs/dbraw/zinc/35/28/73/804352873.db2.gz VOEIUPFIICPRSC-UKPHBRMFSA-N 2 2 260.425 3.485 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC001246508802 804368021 /nfs/dbraw/zinc/36/80/21/804368021.db2.gz DTNMLRCIOHPEIU-UNEWFSDZSA-N 2 2 290.451 3.499 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246537095 804385184 /nfs/dbraw/zinc/38/51/84/804385184.db2.gz JLRSUPPNNBLATN-WCXIOVBPSA-N 2 2 292.467 3.131 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC001246537095 804385192 /nfs/dbraw/zinc/38/51/92/804385192.db2.gz JLRSUPPNNBLATN-WCXIOVBPSA-N 2 2 292.467 3.131 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2cccc(F)n2)C2CCCC2)CC1 ZINC001140135022 804385764 /nfs/dbraw/zinc/38/57/64/804385764.db2.gz NUUOPLUREDIWTE-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2cccc(F)n2)C2CCCC2)CC1 ZINC001140135022 804385771 /nfs/dbraw/zinc/38/57/71/804385771.db2.gz NUUOPLUREDIWTE-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546077 804394889 /nfs/dbraw/zinc/39/48/89/804394889.db2.gz FFAALLAJYBHISV-CVEARBPZSA-N 2 2 270.461 3.046 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546077 804394897 /nfs/dbraw/zinc/39/48/97/804394897.db2.gz FFAALLAJYBHISV-CVEARBPZSA-N 2 2 270.461 3.046 20 0 CGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1F ZINC001246592385 804434273 /nfs/dbraw/zinc/43/42/73/804434273.db2.gz ZOXZBTMDBAJFGT-ILXRZTDVSA-N 2 2 286.410 3.213 20 0 CGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1F ZINC001246592385 804434275 /nfs/dbraw/zinc/43/42/75/804434275.db2.gz ZOXZBTMDBAJFGT-ILXRZTDVSA-N 2 2 286.410 3.213 20 0 CGADLP CCCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246622236 804456093 /nfs/dbraw/zinc/45/60/93/804456093.db2.gz YLEIZDPQYBRVPY-COXVUDFISA-N 2 2 258.409 3.136 20 0 CGADLP CCCC[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246622236 804456097 /nfs/dbraw/zinc/45/60/97/804456097.db2.gz YLEIZDPQYBRVPY-COXVUDFISA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C[NH2+]1 ZINC001246646653 804473419 /nfs/dbraw/zinc/47/34/19/804473419.db2.gz GNAXFSVHCMRMOP-WBVHZDCISA-N 2 2 282.431 3.188 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649939 804477096 /nfs/dbraw/zinc/47/70/96/804477096.db2.gz RZODZQRIAQCXKV-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649939 804477100 /nfs/dbraw/zinc/47/71/00/804477100.db2.gz RZODZQRIAQCXKV-GVDBMIGSSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649501 804477139 /nfs/dbraw/zinc/47/71/39/804477139.db2.gz CBRSRIYUSFQQFV-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649501 804477140 /nfs/dbraw/zinc/47/71/40/804477140.db2.gz CBRSRIYUSFQQFV-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP CC1(C)CCC[C@@H]([N@@H+]2CC(F)(F)CC23CC[NH2+]CC3)C1 ZINC001246654885 804480267 /nfs/dbraw/zinc/48/02/67/804480267.db2.gz NXFJENLKOSVBFC-CYBMUJFWSA-N 2 2 286.410 3.418 20 0 CGADLP CC1(C)CCC[C@@H]([N@H+]2CC(F)(F)CC23CC[NH2+]CC3)C1 ZINC001246654885 804480272 /nfs/dbraw/zinc/48/02/72/804480272.db2.gz NXFJENLKOSVBFC-CYBMUJFWSA-N 2 2 286.410 3.418 20 0 CGADLP c1csc(C2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246791637 804514885 /nfs/dbraw/zinc/51/48/85/804514885.db2.gz RBIFULVARDEURJ-CQSZACIVSA-N 2 2 264.438 3.070 20 0 CGADLP C[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246791359 804515404 /nfs/dbraw/zinc/51/54/04/804515404.db2.gz OKLRINYINJFBOL-ZBFHGGJFSA-N 2 2 278.415 3.424 20 0 CGADLP C[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246791359 804515407 /nfs/dbraw/zinc/51/54/07/804515407.db2.gz OKLRINYINJFBOL-ZBFHGGJFSA-N 2 2 278.415 3.424 20 0 CGADLP CCCCC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246826420 804538270 /nfs/dbraw/zinc/53/82/70/804538270.db2.gz DATHPOOUXFVBHP-TUAOUCFPSA-N 2 2 266.351 3.167 20 0 CGADLP CCCCC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246826420 804538272 /nfs/dbraw/zinc/53/82/72/804538272.db2.gz DATHPOOUXFVBHP-TUAOUCFPSA-N 2 2 266.351 3.167 20 0 CGADLP C1CCC2(CC1)C[C@H]([N@@H+]1CC3CCC1CC3)CC[NH2+]2 ZINC001246826286 804538638 /nfs/dbraw/zinc/53/86/38/804538638.db2.gz XTDOPXQUJDCHHM-UYSNPLJNSA-N 2 2 262.441 3.316 20 0 CGADLP C1CCC2(CC1)C[C@H]([N@H+]1CC3CCC1CC3)CC[NH2+]2 ZINC001246826286 804538642 /nfs/dbraw/zinc/53/86/42/804538642.db2.gz XTDOPXQUJDCHHM-UYSNPLJNSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246853486 804562130 /nfs/dbraw/zinc/56/21/30/804562130.db2.gz MHOTWPJKDSZHOL-XUJVJEKNSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246853486 804562136 /nfs/dbraw/zinc/56/21/36/804562136.db2.gz MHOTWPJKDSZHOL-XUJVJEKNSA-N 2 2 296.867 3.244 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246906252 804592008 /nfs/dbraw/zinc/59/20/08/804592008.db2.gz DIURLXURNFOVNN-RDJZCZTQSA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246906252 804592012 /nfs/dbraw/zinc/59/20/12/804592012.db2.gz DIURLXURNFOVNN-RDJZCZTQSA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246906251 804592033 /nfs/dbraw/zinc/59/20/33/804592033.db2.gz DIURLXURNFOVNN-NVXWUHKLSA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246906251 804592037 /nfs/dbraw/zinc/59/20/37/804592037.db2.gz DIURLXURNFOVNN-NVXWUHKLSA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246906253 804592062 /nfs/dbraw/zinc/59/20/62/804592062.db2.gz DIURLXURNFOVNN-WBVHZDCISA-N 2 2 260.425 3.266 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246906253 804592065 /nfs/dbraw/zinc/59/20/65/804592065.db2.gz DIURLXURNFOVNN-WBVHZDCISA-N 2 2 260.425 3.266 20 0 CGADLP c1ccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)cc1 ZINC001246924466 804603527 /nfs/dbraw/zinc/60/35/27/804603527.db2.gz MQJOCEJWVILHAI-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCCSC2)cc1 ZINC001246924466 804603532 /nfs/dbraw/zinc/60/35/32/804603532.db2.gz MQJOCEJWVILHAI-IAGOWNOFSA-N 2 2 290.476 3.136 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946567 804614582 /nfs/dbraw/zinc/61/45/82/804614582.db2.gz QXQBMGGUABEWEF-IAGOWNOFSA-N 2 2 278.415 3.161 20 0 CGADLP CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946567 804614586 /nfs/dbraw/zinc/61/45/86/804614586.db2.gz QXQBMGGUABEWEF-IAGOWNOFSA-N 2 2 278.415 3.161 20 0 CGADLP CCCCn1c(CCC[NH3+])[nH+]c2ccc(F)c(F)c21 ZINC001247041073 804649196 /nfs/dbraw/zinc/64/91/96/804649196.db2.gz FRBPCJHQNLJLSH-UHFFFAOYSA-N 2 2 267.323 3.006 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cs1 ZINC001248804500 804998657 /nfs/dbraw/zinc/99/86/57/804998657.db2.gz HHHITOLRHXIWAA-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cs1 ZINC001248804500 804998661 /nfs/dbraw/zinc/99/86/61/804998661.db2.gz HHHITOLRHXIWAA-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C(C)(C)C)c[nH]3)C[C@H]2C1 ZINC001249480028 805159056 /nfs/dbraw/zinc/15/90/56/805159056.db2.gz CMYZEJPVRFKSAN-HUUCEWRRSA-N 2 2 289.467 3.086 20 0 CGADLP COc1ccc2[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c(C)cc2c1 ZINC001154978601 805516999 /nfs/dbraw/zinc/51/69/99/805516999.db2.gz ROIGZUARQREJDQ-KGLIPLIRSA-N 2 2 285.391 3.234 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115081 805541650 /nfs/dbraw/zinc/54/16/50/805541650.db2.gz JNIZPSUQLMQLAA-QGZVFWFLSA-N 2 2 287.382 3.437 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001257222141 807065161 /nfs/dbraw/zinc/06/51/61/807065161.db2.gz UARPKIICCLAEAY-HNNXBMFYSA-N 2 2 282.447 3.463 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257260343 807075656 /nfs/dbraw/zinc/07/56/56/807075656.db2.gz RNVVDAZFUBKIMG-BZSNNMDCSA-N 2 2 287.451 3.024 20 0 CGADLP CCc1ccc[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752095 807241587 /nfs/dbraw/zinc/24/15/87/807241587.db2.gz RUYYDSHOJCIUAZ-AWEZNQCLSA-N 2 2 261.413 3.320 20 0 CGADLP CCc1ccc[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167752095 807241590 /nfs/dbraw/zinc/24/15/90/807241590.db2.gz RUYYDSHOJCIUAZ-AWEZNQCLSA-N 2 2 261.413 3.320 20 0 CGADLP COCC[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069265 807288016 /nfs/dbraw/zinc/28/80/16/807288016.db2.gz HFWDLPBNXQVFFF-IRXDYDNUSA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069265 807288021 /nfs/dbraw/zinc/28/80/21/807288021.db2.gz HFWDLPBNXQVFFF-IRXDYDNUSA-N 2 2 298.515 3.490 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039489 807302508 /nfs/dbraw/zinc/30/25/08/807302508.db2.gz FYEPAEXEKYSQIP-CYGHRXIMSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039489 807302517 /nfs/dbraw/zinc/30/25/17/807302517.db2.gz FYEPAEXEKYSQIP-CYGHRXIMSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039489 807302526 /nfs/dbraw/zinc/30/25/26/807302526.db2.gz FYEPAEXEKYSQIP-CYGHRXIMSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039489 807302535 /nfs/dbraw/zinc/30/25/35/807302535.db2.gz FYEPAEXEKYSQIP-CYGHRXIMSA-N 2 2 290.426 3.472 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC001168225159 807356660 /nfs/dbraw/zinc/35/66/60/807356660.db2.gz TUTJRKJBNPGATA-BCLQGDPASA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC001168225159 807356669 /nfs/dbraw/zinc/35/66/69/807356669.db2.gz TUTJRKJBNPGATA-BCLQGDPASA-N 2 2 274.408 3.422 20 0 CGADLP CSCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258211175 807367080 /nfs/dbraw/zinc/36/70/80/807367080.db2.gz GQEIKXSMSFMVTH-GFCCVEGCSA-N 2 2 275.421 3.323 20 0 CGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CC2)CC1 ZINC001168391070 807401525 /nfs/dbraw/zinc/40/15/25/807401525.db2.gz LKWJZQSWQMPSDR-UHFFFAOYSA-N 2 2 276.399 3.132 20 0 CGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CC2)CC1 ZINC001168391070 807401527 /nfs/dbraw/zinc/40/15/27/807401527.db2.gz LKWJZQSWQMPSDR-UHFFFAOYSA-N 2 2 276.399 3.132 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168501680 807437790 /nfs/dbraw/zinc/43/77/90/807437790.db2.gz UNQKLTQDYCEDLE-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168501680 807437796 /nfs/dbraw/zinc/43/77/96/807437796.db2.gz UNQKLTQDYCEDLE-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP Cc1c[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c2[nH]ccc21 ZINC001168544278 807441531 /nfs/dbraw/zinc/44/15/31/807441531.db2.gz HSVHSBUJJMOOGA-CYBMUJFWSA-N 2 2 292.386 3.455 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258443906 807454311 /nfs/dbraw/zinc/45/43/11/807454311.db2.gz PMLIWCIAJLPLJS-DLBZAZTESA-N 2 2 282.472 3.142 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258443906 807454317 /nfs/dbraw/zinc/45/43/17/807454317.db2.gz PMLIWCIAJLPLJS-DLBZAZTESA-N 2 2 282.472 3.142 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCn1cc[nH+]c1 ZINC001258672919 807537108 /nfs/dbraw/zinc/53/71/08/807537108.db2.gz LFDXVUYGARGUIX-LLVKDONJSA-N 2 2 298.217 3.411 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[NH+](C)C ZINC001258671735 807537499 /nfs/dbraw/zinc/53/74/99/807537499.db2.gz CPPKXLRNXJBXOK-MNOVXSKESA-N 2 2 289.250 3.464 20 0 CGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258696224 807552051 /nfs/dbraw/zinc/55/20/51/807552051.db2.gz CIBCXSFTOZJXPD-RDJZCZTQSA-N 2 2 296.499 3.244 20 0 CGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001258696224 807552056 /nfs/dbraw/zinc/55/20/56/807552056.db2.gz CIBCXSFTOZJXPD-RDJZCZTQSA-N 2 2 296.499 3.244 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258703596 807559131 /nfs/dbraw/zinc/55/91/31/807559131.db2.gz JLEGNTBPXVCJLQ-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258703596 807559135 /nfs/dbraw/zinc/55/91/35/807559135.db2.gz JLEGNTBPXVCJLQ-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090734 807570686 /nfs/dbraw/zinc/57/06/86/807570686.db2.gz MBFZLYOIDYNUCL-QDMKHBRRSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090734 807570688 /nfs/dbraw/zinc/57/06/88/807570688.db2.gz MBFZLYOIDYNUCL-QDMKHBRRSA-N 2 2 294.826 3.063 20 0 CGADLP CCCC[C@@H](CCC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258764506 807601400 /nfs/dbraw/zinc/60/14/00/807601400.db2.gz SWBMKSIQRZLWCM-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258764506 807601404 /nfs/dbraw/zinc/60/14/04/807601404.db2.gz SWBMKSIQRZLWCM-SJORKVTESA-N 2 2 284.488 3.388 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)c(F)c2F)CC1 ZINC001258766576 807602869 /nfs/dbraw/zinc/60/28/69/807602869.db2.gz ZHMDFDHHJPVMNH-UHFFFAOYSA-N 2 2 282.378 3.237 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258783672 807611060 /nfs/dbraw/zinc/61/10/60/807611060.db2.gz HGHZXYZWXPYKSW-KKUMJFAQSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258783672 807611066 /nfs/dbraw/zinc/61/10/66/807611066.db2.gz HGHZXYZWXPYKSW-KKUMJFAQSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258785737 807611995 /nfs/dbraw/zinc/61/19/95/807611995.db2.gz WUAGNXKBZCRVDA-BMFZPTHFSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258785737 807611999 /nfs/dbraw/zinc/61/19/99/807611999.db2.gz WUAGNXKBZCRVDA-BMFZPTHFSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258797196 807618787 /nfs/dbraw/zinc/61/87/87/807618787.db2.gz KUUORUQSVQWARL-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258797196 807618788 /nfs/dbraw/zinc/61/87/88/807618788.db2.gz KUUORUQSVQWARL-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258797196 807618792 /nfs/dbraw/zinc/61/87/92/807618792.db2.gz KUUORUQSVQWARL-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258797196 807618795 /nfs/dbraw/zinc/61/87/95/807618795.db2.gz KUUORUQSVQWARL-XUWVNRHRSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258800801 807621773 /nfs/dbraw/zinc/62/17/73/807621773.db2.gz XEDOALUCQRITLC-GVDBMIGSSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258800801 807621777 /nfs/dbraw/zinc/62/17/77/807621777.db2.gz XEDOALUCQRITLC-GVDBMIGSSA-N 2 2 284.488 3.244 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(N)[nH+]ccc1F ZINC001169695115 807688959 /nfs/dbraw/zinc/68/89/59/807688959.db2.gz GDSWJWJLOYCTFB-ZDUSSCGKSA-N 2 2 286.354 3.043 20 0 CGADLP CC(C)COc1cc(NC(C)(C)CC[NH+](C)C)cc[nH+]1 ZINC001169718189 807697897 /nfs/dbraw/zinc/69/78/97/807697897.db2.gz SXCDSDRSIGZSPX-UHFFFAOYSA-N 2 2 279.428 3.259 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC001261423820 807742706 /nfs/dbraw/zinc/74/27/06/807742706.db2.gz FTSYRRCXVZTCIP-STQMWFEESA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001170109150 807759380 /nfs/dbraw/zinc/75/93/80/807759380.db2.gz KVSWPNGXYILSEP-QRQLOZEOSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@H]1C[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239412 807799966 /nfs/dbraw/zinc/79/99/66/807799966.db2.gz ADRHDJLOMFUVKG-MSOLQXFVSA-N 2 2 294.483 3.283 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239412 807799970 /nfs/dbraw/zinc/79/99/70/807799970.db2.gz ADRHDJLOMFUVKG-MSOLQXFVSA-N 2 2 294.483 3.283 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCCCC2 ZINC001262275557 807846264 /nfs/dbraw/zinc/84/62/64/807846264.db2.gz FSDLMQYBGZVWMB-CVEARBPZSA-N 2 2 291.439 3.244 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170919307 807932999 /nfs/dbraw/zinc/93/29/99/807932999.db2.gz YCMPAEVXDCHXAN-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171010136 807958526 /nfs/dbraw/zinc/95/85/26/807958526.db2.gz LXDLIBAWBIFOKL-CQSZACIVSA-N 2 2 280.843 3.129 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116369 807988924 /nfs/dbraw/zinc/98/89/24/807988924.db2.gz OJRYAAJKYAFEGN-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171116369 807988928 /nfs/dbraw/zinc/98/89/28/807988928.db2.gz OJRYAAJKYAFEGN-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP Cc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171575358 808102911 /nfs/dbraw/zinc/10/29/11/808102911.db2.gz VIJMYGWTMPKOGM-IAGOWNOFSA-N 2 2 295.430 3.389 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]C2(c3ccccn3)CC2)CC1(C)C ZINC001171621777 808106610 /nfs/dbraw/zinc/10/66/10/808106610.db2.gz PXSWFPGXYZYGBG-UHFFFAOYSA-N 2 2 287.451 3.312 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(Cl)cn2)CC1(C)C ZINC001171621759 808106794 /nfs/dbraw/zinc/10/67/94/808106794.db2.gz POWQSYGKAPCOLW-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171654337 808112945 /nfs/dbraw/zinc/11/29/45/808112945.db2.gz RPUPNVCHXASFMW-INIZCTEOSA-N 2 2 262.441 3.248 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785642 808139200 /nfs/dbraw/zinc/13/92/00/808139200.db2.gz QXTMBNUTOQFFRU-GJZGRUSLSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171785642 808139205 /nfs/dbraw/zinc/13/92/05/808139205.db2.gz QXTMBNUTOQFFRU-GJZGRUSLSA-N 2 2 290.426 3.003 20 0 CGADLP C[N@H+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088862 808170205 /nfs/dbraw/zinc/17/02/05/808170205.db2.gz OYIIBLFKOGEMOC-BCDXTJNWSA-N 2 2 290.426 3.473 20 0 CGADLP C[N@@H+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088862 808170210 /nfs/dbraw/zinc/17/02/10/808170210.db2.gz OYIIBLFKOGEMOC-BCDXTJNWSA-N 2 2 290.426 3.473 20 0 CGADLP C[NH+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088862 808170212 /nfs/dbraw/zinc/17/02/12/808170212.db2.gz OYIIBLFKOGEMOC-BCDXTJNWSA-N 2 2 290.426 3.473 20 0 CGADLP C[NH+](CCF)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088862 808170217 /nfs/dbraw/zinc/17/02/17/808170217.db2.gz OYIIBLFKOGEMOC-BCDXTJNWSA-N 2 2 290.426 3.473 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001172118512 808179988 /nfs/dbraw/zinc/17/99/88/808179988.db2.gz RDULXYQHLCQDRY-OSYLJGHBSA-N 2 2 288.410 3.420 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001172118512 808179994 /nfs/dbraw/zinc/17/99/94/808179994.db2.gz RDULXYQHLCQDRY-OSYLJGHBSA-N 2 2 288.410 3.420 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172356476 808252716 /nfs/dbraw/zinc/25/27/16/808252716.db2.gz YUIFMWDJGGSTJP-QLFBSQMISA-N 2 2 279.428 3.116 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551350 808379481 /nfs/dbraw/zinc/37/94/81/808379481.db2.gz OGZFVUOZRMSWRG-SQNIBIBYSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551350 808379490 /nfs/dbraw/zinc/37/94/90/808379490.db2.gz OGZFVUOZRMSWRG-SQNIBIBYSA-N 2 2 272.436 3.395 20 0 CGADLP c1cn(CC[NH2+]C2CCC(Cc3ccccc3)CC2)c[nH+]1 ZINC001172817111 808443803 /nfs/dbraw/zinc/44/38/03/808443803.db2.gz QTXGCTRTXCNXLU-UHFFFAOYSA-N 2 2 283.419 3.274 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+]CCc1[nH+]ccn1C ZINC001173255437 808562211 /nfs/dbraw/zinc/56/22/11/808562211.db2.gz IOFUNQHNNUAERQ-AWEZNQCLSA-N 2 2 251.418 3.157 20 0 CGADLP CC[C@@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001173285239 808585891 /nfs/dbraw/zinc/58/58/91/808585891.db2.gz VHNCRIDUNDUKCM-UKRRQHHQSA-N 2 2 291.414 3.358 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687868 808664976 /nfs/dbraw/zinc/66/49/76/808664976.db2.gz UVHRMVKMXJHNMN-FDYSRKEFSA-N 2 2 298.474 3.497 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687868 808664981 /nfs/dbraw/zinc/66/49/81/808664981.db2.gz UVHRMVKMXJHNMN-FDYSRKEFSA-N 2 2 298.474 3.497 20 0 CGADLP Cc1cn2c(cccc2Nc2ccccc2C[NH+](C)C)[nH+]1 ZINC001173927618 808767119 /nfs/dbraw/zinc/76/71/19/808767119.db2.gz KKCGVEZPTLAXSE-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001274880758 808891061 /nfs/dbraw/zinc/89/10/61/808891061.db2.gz XQVWKWHJHWAUFR-UHFFFAOYSA-N 2 2 284.447 3.136 20 0 CGADLP C[N@H+]1CCC2(C[NH+](CC3(c4ccccc4)CCCC3)C2)C1 ZINC001274880758 808891063 /nfs/dbraw/zinc/89/10/63/808891063.db2.gz XQVWKWHJHWAUFR-UHFFFAOYSA-N 2 2 284.447 3.136 20 0 CGADLP CCCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275120322 808911935 /nfs/dbraw/zinc/91/19/35/808911935.db2.gz HYRGUJTYAVUUSH-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP CCCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275120322 808911938 /nfs/dbraw/zinc/91/19/38/808911938.db2.gz HYRGUJTYAVUUSH-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001276367834 809003515 /nfs/dbraw/zinc/00/35/15/809003515.db2.gz GHSBHYGDHZSQIS-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001276367834 809003520 /nfs/dbraw/zinc/00/35/20/809003520.db2.gz GHSBHYGDHZSQIS-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP COC(C)(C)CCC[C@H](C)CC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276485576 809013052 /nfs/dbraw/zinc/01/30/52/809013052.db2.gz ISTYJMZNUIBWPR-INIZCTEOSA-N 2 2 296.499 3.245 20 0 CGADLP COC(C)(C)CCC[C@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276485576 809013059 /nfs/dbraw/zinc/01/30/59/809013059.db2.gz ISTYJMZNUIBWPR-INIZCTEOSA-N 2 2 296.499 3.245 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630773 809022724 /nfs/dbraw/zinc/02/27/24/809022724.db2.gz MTHYUXKCEXGGNO-GDBMZVCRSA-N 2 2 290.838 3.081 20 0 CGADLP C[N@H+]1CCC2(C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630773 809022732 /nfs/dbraw/zinc/02/27/32/809022732.db2.gz MTHYUXKCEXGGNO-GDBMZVCRSA-N 2 2 290.838 3.081 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789464 809031755 /nfs/dbraw/zinc/03/17/55/809031755.db2.gz IUFDCZHUNMNWAJ-GOSISDBHSA-N 2 2 283.419 3.086 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789464 809031768 /nfs/dbraw/zinc/03/17/68/809031768.db2.gz IUFDCZHUNMNWAJ-GOSISDBHSA-N 2 2 283.419 3.086 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789464 809031771 /nfs/dbraw/zinc/03/17/71/809031771.db2.gz IUFDCZHUNMNWAJ-GOSISDBHSA-N 2 2 283.419 3.086 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC001276789464 809031778 /nfs/dbraw/zinc/03/17/78/809031778.db2.gz IUFDCZHUNMNWAJ-GOSISDBHSA-N 2 2 283.419 3.086 20 0 CGADLP [NH3+]Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001175966108 809584435 /nfs/dbraw/zinc/58/44/35/809584435.db2.gz LDHAHBMVMYCGNH-UHFFFAOYSA-N 2 2 272.739 3.190 20 0 CGADLP CC(C)CSCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001178412196 809864844 /nfs/dbraw/zinc/86/48/44/809864844.db2.gz GPIKOCMXYHROON-UHFFFAOYSA-N 2 2 295.477 3.413 20 0 CGADLP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)[NH+]1CCCCC1 ZINC001178463998 809869094 /nfs/dbraw/zinc/86/90/94/809869094.db2.gz UNZCSDWDGIKMIC-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001179044312 809901640 /nfs/dbraw/zinc/90/16/40/809901640.db2.gz AMRUYKJEDNSYCO-ZWKOTPCHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001179044312 809901641 /nfs/dbraw/zinc/90/16/41/809901641.db2.gz AMRUYKJEDNSYCO-ZWKOTPCHSA-N 2 2 272.436 3.410 20 0 CGADLP COC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001179169344 809908823 /nfs/dbraw/zinc/90/88/23/809908823.db2.gz YDJAOYRITMXUHO-KRWDZBQOSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCCCC1 ZINC001179169344 809908827 /nfs/dbraw/zinc/90/88/27/809908827.db2.gz YDJAOYRITMXUHO-KRWDZBQOSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC001182874540 810128431 /nfs/dbraw/zinc/12/84/31/810128431.db2.gz SMHZVTYBBSBUQF-FSDCSDTHSA-N 2 2 264.457 3.131 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001183146650 810137999 /nfs/dbraw/zinc/13/79/99/810137999.db2.gz ZIWWPNSXANYYKC-KSZLIROESA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001183146650 810138001 /nfs/dbraw/zinc/13/80/01/810138001.db2.gz ZIWWPNSXANYYKC-KSZLIROESA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001184253510 810185011 /nfs/dbraw/zinc/18/50/11/810185011.db2.gz WLVJZVCGLZMBSK-AWEZNQCLSA-N 2 2 274.399 3.276 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001184253510 810185014 /nfs/dbraw/zinc/18/50/14/810185014.db2.gz WLVJZVCGLZMBSK-AWEZNQCLSA-N 2 2 274.399 3.276 20 0 CGADLP CCCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140710 811479942 /nfs/dbraw/zinc/47/99/42/811479942.db2.gz LQOKGDDULJAENH-UHFFFAOYSA-N 2 2 290.451 3.011 20 0 CGADLP CCCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140710 811479948 /nfs/dbraw/zinc/47/99/48/811479948.db2.gz LQOKGDDULJAENH-UHFFFAOYSA-N 2 2 290.451 3.011 20 0 CGADLP CCCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140710 811479951 /nfs/dbraw/zinc/47/99/51/811479951.db2.gz LQOKGDDULJAENH-UHFFFAOYSA-N 2 2 290.451 3.011 20 0 CGADLP CCCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140710 811479957 /nfs/dbraw/zinc/47/99/57/811479957.db2.gz LQOKGDDULJAENH-UHFFFAOYSA-N 2 2 290.451 3.011 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC001198992120 811554738 /nfs/dbraw/zinc/55/47/38/811554738.db2.gz WVYVXGRMSYKLDZ-HNNXBMFYSA-N 2 2 299.443 3.474 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCS1 ZINC001201408048 811833440 /nfs/dbraw/zinc/83/34/40/811833440.db2.gz PXVDJSLKGKBQJK-AWEZNQCLSA-N 2 2 293.461 3.309 20 0 CGADLP c1ccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001201661844 811933345 /nfs/dbraw/zinc/93/33/45/811933345.db2.gz USAFHVDSUMGXBK-UHFFFAOYSA-N 2 2 284.447 3.037 20 0 CGADLP c1ccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001201661844 811933349 /nfs/dbraw/zinc/93/33/49/811933349.db2.gz USAFHVDSUMGXBK-UHFFFAOYSA-N 2 2 284.447 3.037 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CCCC(F)(F)F)CC1 ZINC001202443226 812095903 /nfs/dbraw/zinc/09/59/03/812095903.db2.gz PCSUFTIUHRVNOC-UHFFFAOYSA-N 2 2 278.362 3.279 20 0 CGADLP CCOc1ccccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001203541084 812387724 /nfs/dbraw/zinc/38/77/24/812387724.db2.gz LNVMTUFGZOJRHQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001203541084 812387732 /nfs/dbraw/zinc/38/77/32/812387732.db2.gz LNVMTUFGZOJRHQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204009444 812517573 /nfs/dbraw/zinc/51/75/73/812517573.db2.gz YGTMHYGGSIZDTJ-LJQANCHMSA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001204009444 812517575 /nfs/dbraw/zinc/51/75/75/812517575.db2.gz YGTMHYGGSIZDTJ-LJQANCHMSA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001204009444 812517578 /nfs/dbraw/zinc/51/75/78/812517578.db2.gz YGTMHYGGSIZDTJ-LJQANCHMSA-N 2 2 295.430 3.113 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001204009444 812517580 /nfs/dbraw/zinc/51/75/80/812517580.db2.gz YGTMHYGGSIZDTJ-LJQANCHMSA-N 2 2 295.430 3.113 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)s1 ZINC001204033694 812526756 /nfs/dbraw/zinc/52/67/56/812526756.db2.gz PPFAVWDYFORZGZ-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)s1 ZINC001204033694 812526760 /nfs/dbraw/zinc/52/67/60/812526760.db2.gz PPFAVWDYFORZGZ-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1C)C1CC[NH+](C)CC1 ZINC001204512794 812662926 /nfs/dbraw/zinc/66/29/26/812662926.db2.gz MZVNPRBLAXVOKO-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1C)C1CC[NH+](C)CC1 ZINC001204512794 812662934 /nfs/dbraw/zinc/66/29/34/812662934.db2.gz MZVNPRBLAXVOKO-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)oc1C ZINC001204533167 812670300 /nfs/dbraw/zinc/67/03/00/812670300.db2.gz MLGKBZYDCDUAAU-UHFFFAOYSA-N 2 2 299.418 3.312 20 0 CGADLP Cc1cc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)oc1C ZINC001204533167 812670306 /nfs/dbraw/zinc/67/03/06/812670306.db2.gz MLGKBZYDCDUAAU-UHFFFAOYSA-N 2 2 299.418 3.312 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204770468 812731166 /nfs/dbraw/zinc/73/11/66/812731166.db2.gz FIIOHXPCPWQEMS-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204770468 812731171 /nfs/dbraw/zinc/73/11/71/812731171.db2.gz FIIOHXPCPWQEMS-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869742 812758788 /nfs/dbraw/zinc/75/87/88/812758788.db2.gz HYVJJXGPCBHEKP-OAHLLOKOSA-N 2 2 264.800 3.166 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204869742 812758795 /nfs/dbraw/zinc/75/87/95/812758795.db2.gz HYVJJXGPCBHEKP-OAHLLOKOSA-N 2 2 264.800 3.166 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204933022 812782578 /nfs/dbraw/zinc/78/25/78/812782578.db2.gz PSJUBRQUGVOJJA-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC001204933022 812782582 /nfs/dbraw/zinc/78/25/82/812782582.db2.gz PSJUBRQUGVOJJA-GOSISDBHSA-N 2 2 295.430 3.370 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205064588 812842908 /nfs/dbraw/zinc/84/29/08/812842908.db2.gz RWYCORHSVLVFSI-JQWIXIFHSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001205064588 812842915 /nfs/dbraw/zinc/84/29/15/812842915.db2.gz RWYCORHSVLVFSI-JQWIXIFHSA-N 2 2 277.799 3.133 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205093663 812858477 /nfs/dbraw/zinc/85/84/77/812858477.db2.gz DJMJMHRMDAKQTB-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205093663 812858486 /nfs/dbraw/zinc/85/84/86/812858486.db2.gz DJMJMHRMDAKQTB-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001205094444 812859259 /nfs/dbraw/zinc/85/92/59/812859259.db2.gz MIGCSSRWZCZBEF-GFCCVEGCSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001205094444 812859266 /nfs/dbraw/zinc/85/92/66/812859266.db2.gz MIGCSSRWZCZBEF-GFCCVEGCSA-N 2 2 273.207 3.307 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205264019 812922549 /nfs/dbraw/zinc/92/25/49/812922549.db2.gz GUSNJYMVSJHKHT-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205264019 812922551 /nfs/dbraw/zinc/92/25/51/812922551.db2.gz GUSNJYMVSJHKHT-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296349 812938195 /nfs/dbraw/zinc/93/81/95/812938195.db2.gz NEKRRXWOGLUXCR-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205296349 812938203 /nfs/dbraw/zinc/93/82/03/812938203.db2.gz NEKRRXWOGLUXCR-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@H]1C[NH3+] ZINC001205306532 812943482 /nfs/dbraw/zinc/94/34/82/812943482.db2.gz WUJSPLTYRVQXRU-NWDGAFQWSA-N 2 2 291.826 3.238 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C[C@H]1C[NH3+] ZINC001205306532 812943486 /nfs/dbraw/zinc/94/34/86/812943486.db2.gz WUJSPLTYRVQXRU-NWDGAFQWSA-N 2 2 291.826 3.238 20 0 CGADLP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1C(C)C ZINC001205326259 812955814 /nfs/dbraw/zinc/95/58/14/812955814.db2.gz XBOPSKIISUDOAI-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1C(C)C ZINC001205326259 812955819 /nfs/dbraw/zinc/95/58/19/812955819.db2.gz XBOPSKIISUDOAI-AWEZNQCLSA-N 2 2 276.424 3.002 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205325628 812956208 /nfs/dbraw/zinc/95/62/08/812956208.db2.gz QAXNLCLBMMEIJY-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CC[NH2+]CC[C@H]2C)c1 ZINC001205325628 812956212 /nfs/dbraw/zinc/95/62/12/812956212.db2.gz QAXNLCLBMMEIJY-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901358 813123439 /nfs/dbraw/zinc/12/34/39/813123439.db2.gz COOUBPOFXTYIII-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901358 813123443 /nfs/dbraw/zinc/12/34/43/813123443.db2.gz COOUBPOFXTYIII-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)cc2c1 ZINC001205938700 813142023 /nfs/dbraw/zinc/14/20/23/813142023.db2.gz JTMCMLAECMYVRR-CYBMUJFWSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCCC[C@@H]([NH3+])C3)cc2c1 ZINC001205938700 813142024 /nfs/dbraw/zinc/14/20/24/813142024.db2.gz JTMCMLAECMYVRR-CYBMUJFWSA-N 2 2 290.432 3.223 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccs3)cc2)C[C@H]1[NH3+] ZINC001206065073 813188584 /nfs/dbraw/zinc/18/85/84/813188584.db2.gz LANGSNQAAGQTKQ-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccs3)cc2)C[C@H]1[NH3+] ZINC001206065073 813188587 /nfs/dbraw/zinc/18/85/87/813188587.db2.gz LANGSNQAAGQTKQ-IUODEOHRSA-N 2 2 272.417 3.194 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075771 813191429 /nfs/dbraw/zinc/19/14/29/813191429.db2.gz YBVCYKVHMGIOAV-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075771 813191435 /nfs/dbraw/zinc/19/14/35/813191435.db2.gz YBVCYKVHMGIOAV-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cnc1-c1ccccc1 ZINC001206284875 813270988 /nfs/dbraw/zinc/27/09/88/813270988.db2.gz ILOOXOMOAUOFKH-OAHLLOKOSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cnc1-c1ccccc1 ZINC001206284875 813270994 /nfs/dbraw/zinc/27/09/94/813270994.db2.gz ILOOXOMOAUOFKH-OAHLLOKOSA-N 2 2 295.430 3.098 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4ocnc4c3)cc2)C1 ZINC001242597579 823054236 /nfs/dbraw/zinc/05/42/36/823054236.db2.gz CQLCTZJWJYURQG-INIZCTEOSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4ocnc4c3)cc2)C1 ZINC001242597579 823054243 /nfs/dbraw/zinc/05/42/43/823054243.db2.gz CQLCTZJWJYURQG-INIZCTEOSA-N 2 2 293.370 3.028 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001206564160 813354825 /nfs/dbraw/zinc/35/48/25/813354825.db2.gz LUPIKGRKBCFANY-CYBMUJFWSA-N 2 2 290.329 3.249 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001206564160 813354831 /nfs/dbraw/zinc/35/48/31/813354831.db2.gz LUPIKGRKBCFANY-CYBMUJFWSA-N 2 2 290.329 3.249 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC001206776947 813434596 /nfs/dbraw/zinc/43/45/96/813434596.db2.gz KNFBERPMXCJWSO-KRWDZBQOSA-N 2 2 262.441 3.483 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC001206776947 813434603 /nfs/dbraw/zinc/43/46/03/813434603.db2.gz KNFBERPMXCJWSO-KRWDZBQOSA-N 2 2 262.441 3.483 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@H]2C1 ZINC001207131333 813492686 /nfs/dbraw/zinc/49/26/86/813492686.db2.gz GHSWKGHBCZDWFQ-HZPDHXFCSA-N 2 2 294.389 3.398 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594499 813605002 /nfs/dbraw/zinc/60/50/02/813605002.db2.gz XZRDUIAAEIRUAD-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594499 813605006 /nfs/dbraw/zinc/60/50/06/813605006.db2.gz XZRDUIAAEIRUAD-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594499 813605013 /nfs/dbraw/zinc/60/50/13/813605013.db2.gz XZRDUIAAEIRUAD-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594499 813605022 /nfs/dbraw/zinc/60/50/22/813605022.db2.gz XZRDUIAAEIRUAD-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP CCc1cccc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636369 /nfs/dbraw/zinc/63/63/69/813636369.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 2 298.430 3.379 20 0 CGADLP CCc1cccc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636372 /nfs/dbraw/zinc/63/63/72/813636372.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 2 298.430 3.379 20 0 CGADLP CCc1cccc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636375 /nfs/dbraw/zinc/63/63/75/813636375.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 2 298.430 3.379 20 0 CGADLP CCc1cccc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)oc21 ZINC001207691610 813636378 /nfs/dbraw/zinc/63/63/78/813636378.db2.gz ORICFDRAVSZOPO-APWZRJJASA-N 2 2 298.430 3.379 20 0 CGADLP C[NH+]1CCC(CNc2[nH+]c3ccccc3n2CC2CC2)CC1 ZINC001207872504 813664344 /nfs/dbraw/zinc/66/43/44/813664344.db2.gz DJGYGYWBMPWAIM-UHFFFAOYSA-N 2 2 298.434 3.200 20 0 CGADLP CS[C@H](C)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208146902 813707258 /nfs/dbraw/zinc/70/72/58/813707258.db2.gz CWUXDWHXMDEHCG-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP CS[C@H](C)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208146902 813707263 /nfs/dbraw/zinc/70/72/63/813707263.db2.gz CWUXDWHXMDEHCG-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP C[C@@H]1C[C@H]1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209431380 814031131 /nfs/dbraw/zinc/03/11/31/814031131.db2.gz OKGMEAZXKLHBMW-ZBFHGGJFSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209431380 814031136 /nfs/dbraw/zinc/03/11/36/814031136.db2.gz OKGMEAZXKLHBMW-ZBFHGGJFSA-N 2 2 290.426 3.378 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)CCC(=O)c1ccccc1 ZINC001209449826 814048518 /nfs/dbraw/zinc/04/85/18/814048518.db2.gz AIPHSLWTLAGUGQ-UHFFFAOYSA-N 2 2 288.435 3.067 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)CCC(=O)c1ccccc1 ZINC001209449826 814048520 /nfs/dbraw/zinc/04/85/20/814048520.db2.gz AIPHSLWTLAGUGQ-UHFFFAOYSA-N 2 2 288.435 3.067 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001209732974 814125871 /nfs/dbraw/zinc/12/58/71/814125871.db2.gz ONOXOXRZVQPMGQ-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001209732974 814125875 /nfs/dbraw/zinc/12/58/75/814125875.db2.gz ONOXOXRZVQPMGQ-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP CN(C)c1cc[nH+]cc1Nc1cccc2cc[nH+]cc21 ZINC001210224165 814350122 /nfs/dbraw/zinc/35/01/22/814350122.db2.gz RMUWDOSGUWMGEW-UHFFFAOYSA-N 2 2 264.332 3.439 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[NH2+]1 ZINC001210495748 814489832 /nfs/dbraw/zinc/48/98/32/814489832.db2.gz BKUYCRZIERXPLB-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)CC[NH2+]1 ZINC001210495748 814489836 /nfs/dbraw/zinc/48/98/36/814489836.db2.gz BKUYCRZIERXPLB-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP COc1cc(Nc2cccc(C[NH+](C)C)c2F)[nH+]cc1C ZINC001216228672 815747005 /nfs/dbraw/zinc/74/70/05/815747005.db2.gz OEUDOVPIWFLPLA-UHFFFAOYSA-N 2 2 289.354 3.343 20 0 CGADLP CSc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242946780 823183750 /nfs/dbraw/zinc/18/37/50/823183750.db2.gz XMARPLVXETZLIV-UHFFFAOYSA-N 2 2 295.411 3.410 20 0 CGADLP CSc1cncc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242949052 823184935 /nfs/dbraw/zinc/18/49/35/823184935.db2.gz KPBNSIFTKZUREJ-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242949052 823184939 /nfs/dbraw/zinc/18/49/39/823184939.db2.gz KPBNSIFTKZUREJ-MRXNPFEDSA-N 2 2 299.443 3.004 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)NCCC2 ZINC001222396622 816432476 /nfs/dbraw/zinc/43/24/76/816432476.db2.gz ULJKGWQFMZMSGB-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCC[NH2+]3)C1)NCCC2 ZINC001222396622 816432482 /nfs/dbraw/zinc/43/24/82/816432482.db2.gz ULJKGWQFMZMSGB-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222422080 816440361 /nfs/dbraw/zinc/44/03/61/816440361.db2.gz RKRQGLFCCCOVSO-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222422080 816440366 /nfs/dbraw/zinc/44/03/66/816440366.db2.gz RKRQGLFCCCOVSO-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222427678 816442418 /nfs/dbraw/zinc/44/24/18/816442418.db2.gz WQHZTJUMGROFBD-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222427678 816442423 /nfs/dbraw/zinc/44/24/23/816442423.db2.gz WQHZTJUMGROFBD-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP C[N@H+](Cc1ccc(OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231803789 818178398 /nfs/dbraw/zinc/17/83/98/818178398.db2.gz HEXOWAZHKPXKQN-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[N@@H+](Cc1ccc(OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001231803789 818178402 /nfs/dbraw/zinc/17/84/02/818178402.db2.gz HEXOWAZHKPXKQN-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001232393725 818335861 /nfs/dbraw/zinc/33/58/61/818335861.db2.gz BCHMDWXXQBMUNK-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001232393725 818335868 /nfs/dbraw/zinc/33/58/68/818335868.db2.gz BCHMDWXXQBMUNK-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001232622854 818401247 /nfs/dbraw/zinc/40/12/47/818401247.db2.gz DACCUUBAPNEYOU-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001232622854 818401252 /nfs/dbraw/zinc/40/12/52/818401252.db2.gz DACCUUBAPNEYOU-UHFFFAOYSA-N 2 2 288.435 3.062 20 0 CGADLP c1ccc(C(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c2ccccc2)cc1 ZINC001235004948 818977058 /nfs/dbraw/zinc/97/70/58/818977058.db2.gz VGFDYADXBMUUDS-PMACEKPBSA-N 2 2 292.426 3.255 20 0 CGADLP c1ccc(C(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c2ccccc2)cc1 ZINC001235004948 818977063 /nfs/dbraw/zinc/97/70/63/818977063.db2.gz VGFDYADXBMUUDS-PMACEKPBSA-N 2 2 292.426 3.255 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235039125 818985904 /nfs/dbraw/zinc/98/59/04/818985904.db2.gz UCDGGLWJJVXQED-LSDHHAIUSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235039125 818985911 /nfs/dbraw/zinc/98/59/11/818985911.db2.gz UCDGGLWJJVXQED-LSDHHAIUSA-N 2 2 298.352 3.074 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235048638 818992527 /nfs/dbraw/zinc/99/25/27/818992527.db2.gz ZHVYFMRDQWXYDL-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1F ZINC001235048638 818992532 /nfs/dbraw/zinc/99/25/32/818992532.db2.gz ZHVYFMRDQWXYDL-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2c1 ZINC001235114146 819008711 /nfs/dbraw/zinc/00/87/11/819008711.db2.gz ACPBOBPRHGZZMO-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2c1 ZINC001235114146 819008714 /nfs/dbraw/zinc/00/87/14/819008714.db2.gz ACPBOBPRHGZZMO-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165598 819021515 /nfs/dbraw/zinc/02/15/15/819021515.db2.gz KNSTWUSJSAFASB-YQQAZPJKSA-N 2 2 282.472 3.031 20 0 CGADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165598 819021519 /nfs/dbraw/zinc/02/15/19/819021519.db2.gz KNSTWUSJSAFASB-YQQAZPJKSA-N 2 2 282.472 3.031 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235169541 819023157 /nfs/dbraw/zinc/02/31/57/819023157.db2.gz JLSNMLQRPDPHPE-RBUKOAKNSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc(-c3ccccc3)c1)C2 ZINC001235169541 819023162 /nfs/dbraw/zinc/02/31/62/819023162.db2.gz JLSNMLQRPDPHPE-RBUKOAKNSA-N 2 2 278.399 3.277 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192587 819032914 /nfs/dbraw/zinc/03/29/14/819032914.db2.gz FASQYHPIEQUBTK-VXGBXAGGSA-N 2 2 299.245 3.077 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192587 819032917 /nfs/dbraw/zinc/03/29/17/819032917.db2.gz FASQYHPIEQUBTK-VXGBXAGGSA-N 2 2 299.245 3.077 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC001235235878 819043341 /nfs/dbraw/zinc/04/33/41/819043341.db2.gz UCDGGLWJJVXQED-CABCVRRESA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC001235235878 819043344 /nfs/dbraw/zinc/04/33/44/819043344.db2.gz UCDGGLWJJVXQED-CABCVRRESA-N 2 2 298.352 3.074 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001235244825 819047097 /nfs/dbraw/zinc/04/70/97/819047097.db2.gz LUGCTNDAYRYVSA-GDBMZVCRSA-N 2 2 272.417 3.215 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3ccsc3c1)C2 ZINC001235244825 819047100 /nfs/dbraw/zinc/04/71/00/819047100.db2.gz LUGCTNDAYRYVSA-GDBMZVCRSA-N 2 2 272.417 3.215 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc12 ZINC001235256201 819050855 /nfs/dbraw/zinc/05/08/55/819050855.db2.gz GEHOTFICJGTPMQ-YOEHRIQHSA-N 2 2 292.382 3.380 20 0 CGADLP c1ccc2c(c1)oc1ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc12 ZINC001235256201 819050862 /nfs/dbraw/zinc/05/08/62/819050862.db2.gz GEHOTFICJGTPMQ-YOEHRIQHSA-N 2 2 292.382 3.380 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256922 819054056 /nfs/dbraw/zinc/05/40/56/819054056.db2.gz HIHCFGDSUNNYOL-UXHICEINSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256922 819054059 /nfs/dbraw/zinc/05/40/59/819054059.db2.gz HIHCFGDSUNNYOL-UXHICEINSA-N 2 2 292.426 3.456 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235260746 819056190 /nfs/dbraw/zinc/05/61/90/819056190.db2.gz HJCSBPUUJIKGGJ-FZMZJTMJSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235260746 819056196 /nfs/dbraw/zinc/05/61/96/819056196.db2.gz HJCSBPUUJIKGGJ-FZMZJTMJSA-N 2 2 296.867 3.246 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235264863 819057694 /nfs/dbraw/zinc/05/76/94/819057694.db2.gz QVRWVAXBPNLHEX-DZGCQCFKSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235264863 819057701 /nfs/dbraw/zinc/05/77/01/819057701.db2.gz QVRWVAXBPNLHEX-DZGCQCFKSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235405840 819088524 /nfs/dbraw/zinc/08/85/24/819088524.db2.gz PECNBGCMHPZHTR-GOEBONIOSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235405840 819088530 /nfs/dbraw/zinc/08/85/30/819088530.db2.gz PECNBGCMHPZHTR-GOEBONIOSA-N 2 2 296.817 3.172 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1cccc(C(F)(F)F)c1Cl ZINC001235435215 819098159 /nfs/dbraw/zinc/09/81/59/819098159.db2.gz CPOVHMSDKRFJTM-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1cccc(C(F)(F)F)c1Cl ZINC001235435215 819098167 /nfs/dbraw/zinc/09/81/67/819098167.db2.gz CPOVHMSDKRFJTM-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001235672316 819133791 /nfs/dbraw/zinc/13/37/91/819133791.db2.gz AXQCFLCDYWPJPW-NSHDSACASA-N 2 2 287.234 3.207 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001235672316 819133795 /nfs/dbraw/zinc/13/37/95/819133795.db2.gz AXQCFLCDYWPJPW-NSHDSACASA-N 2 2 287.234 3.207 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891990 819200330 /nfs/dbraw/zinc/20/03/30/819200330.db2.gz JFOLBSXVCRLQMD-UKRRQHHQSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891990 819200337 /nfs/dbraw/zinc/20/03/37/819200337.db2.gz JFOLBSXVCRLQMD-UKRRQHHQSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235899915 819209577 /nfs/dbraw/zinc/20/95/77/819209577.db2.gz BLPADCJDOHXRHR-BXUZGUMPSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235899915 819209584 /nfs/dbraw/zinc/20/95/84/819209584.db2.gz BLPADCJDOHXRHR-BXUZGUMPSA-N 2 2 286.341 3.325 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2c1 ZINC001235901762 819212049 /nfs/dbraw/zinc/21/20/49/819212049.db2.gz DWNQGGUANCCBPK-YPMHNXCESA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)cc2c1 ZINC001235901762 819212057 /nfs/dbraw/zinc/21/20/57/819212057.db2.gz DWNQGGUANCCBPK-YPMHNXCESA-N 2 2 290.432 3.222 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905567 819215603 /nfs/dbraw/zinc/21/56/03/819215603.db2.gz MOLMUHUPTCHYLJ-TZMCWYRMSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905567 819215608 /nfs/dbraw/zinc/21/56/08/819215608.db2.gz MOLMUHUPTCHYLJ-TZMCWYRMSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905562 819216019 /nfs/dbraw/zinc/21/60/19/819216019.db2.gz MOLMUHUPTCHYLJ-GXTWGEPZSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001235905562 819216024 /nfs/dbraw/zinc/21/60/24/819216024.db2.gz MOLMUHUPTCHYLJ-GXTWGEPZSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)c1cccc2ccccc21 ZINC001235909576 819218880 /nfs/dbraw/zinc/21/88/80/819218880.db2.gz HSXZZHRNXXUWJR-JEBQAFNWSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)c1cccc2ccccc21 ZINC001235909576 819218885 /nfs/dbraw/zinc/21/88/85/819218885.db2.gz HSXZZHRNXXUWJR-JEBQAFNWSA-N 2 2 286.394 3.314 20 0 CGADLP [NH3+]CCC1C[NH+](Cc2c(Cl)cc(Cl)cc2Cl)C1 ZINC001235919498 819220815 /nfs/dbraw/zinc/22/08/15/819220815.db2.gz WYSFAVSZGKGVDE-UHFFFAOYSA-N 2 2 293.625 3.427 20 0 CGADLP Clc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235930288 819228329 /nfs/dbraw/zinc/22/83/29/819228329.db2.gz VPWBQMXNCDITFB-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1Cl ZINC001235930288 819228337 /nfs/dbraw/zinc/22/83/37/819228337.db2.gz VPWBQMXNCDITFB-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935373 819230345 /nfs/dbraw/zinc/23/03/45/819230345.db2.gz DKGVUQMEGPJGPR-RYUDHWBXSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235935373 819230349 /nfs/dbraw/zinc/23/03/49/819230349.db2.gz DKGVUQMEGPJGPR-RYUDHWBXSA-N 2 2 299.245 3.343 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1Cl ZINC001235947696 819237471 /nfs/dbraw/zinc/23/74/71/819237471.db2.gz OIPKIKUQKQDVJI-UHFFFAOYSA-N 2 2 284.831 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1Cl ZINC001235947696 819237476 /nfs/dbraw/zinc/23/74/76/819237476.db2.gz OIPKIKUQKQDVJI-UHFFFAOYSA-N 2 2 284.831 3.296 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)s1 ZINC001235998305 819267096 /nfs/dbraw/zinc/26/70/96/819267096.db2.gz YGYZKBFWQPDMMY-DOMZBBRYSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)s1 ZINC001235998305 819267100 /nfs/dbraw/zinc/26/71/00/819267100.db2.gz YGYZKBFWQPDMMY-DOMZBBRYSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCOc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236005167 819270532 /nfs/dbraw/zinc/27/05/32/819270532.db2.gz BONCTNJRECMESL-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236005167 819270536 /nfs/dbraw/zinc/27/05/36/819270536.db2.gz BONCTNJRECMESL-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCC[NH2+]C1 ZINC001236007438 819271900 /nfs/dbraw/zinc/27/19/00/819271900.db2.gz MMDMCMBTBIZCCH-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@H]1CCC[NH2+]C1 ZINC001236007438 819271902 /nfs/dbraw/zinc/27/19/02/819271902.db2.gz MMDMCMBTBIZCCH-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP CCn1ccc2ccc(C[N@H+](CC)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236008928 819273103 /nfs/dbraw/zinc/27/31/03/819273103.db2.gz WFCCMEOMNFPWPN-QGZVFWFLSA-N 2 2 285.435 3.235 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](CC)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236008928 819273108 /nfs/dbraw/zinc/27/31/08/819273108.db2.gz WFCCMEOMNFPWPN-QGZVFWFLSA-N 2 2 285.435 3.235 20 0 CGADLP CC[N@H+](Cc1cc(OC(C)C)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001236009505 819273381 /nfs/dbraw/zinc/27/33/81/819273381.db2.gz NATFXNXMEOHHLG-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1cc(OC(C)C)ccc1C)[C@H]1CCC[NH2+]C1 ZINC001236009505 819273387 /nfs/dbraw/zinc/27/33/87/819273387.db2.gz NATFXNXMEOHHLG-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@H+](Cc1ccc2sc(C)nc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236011351 819274404 /nfs/dbraw/zinc/27/44/04/819274404.db2.gz XPPQEOXJIHBPGH-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CC[N@@H+](Cc1ccc2sc(C)nc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236011351 819274409 /nfs/dbraw/zinc/27/44/09/819274409.db2.gz XPPQEOXJIHBPGH-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236045250 819282532 /nfs/dbraw/zinc/28/25/32/819282532.db2.gz BLCCNRACPQMFOX-RHSMWYFYSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236045250 819282541 /nfs/dbraw/zinc/28/25/41/819282541.db2.gz BLCCNRACPQMFOX-RHSMWYFYSA-N 2 2 260.425 3.198 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1ccccc1-c1ccccc1 ZINC001236143665 819343895 /nfs/dbraw/zinc/34/38/95/819343895.db2.gz NWDDCFRABIKDCH-UHFFFAOYSA-N 2 2 268.404 3.395 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1ccccc1-c1ccccc1 ZINC001236143665 819343902 /nfs/dbraw/zinc/34/39/02/819343902.db2.gz NWDDCFRABIKDCH-UHFFFAOYSA-N 2 2 268.404 3.395 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236203123 819366336 /nfs/dbraw/zinc/36/63/36/819366336.db2.gz VJGJHEQJIFFKPO-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236203123 819366342 /nfs/dbraw/zinc/36/63/42/819366342.db2.gz VJGJHEQJIFFKPO-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205361 819367007 /nfs/dbraw/zinc/36/70/07/819367007.db2.gz DRBOZCZQQFVWRE-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205361 819367013 /nfs/dbraw/zinc/36/70/13/819367013.db2.gz DRBOZCZQQFVWRE-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCCc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236206336 819368889 /nfs/dbraw/zinc/36/88/89/819368889.db2.gz JORUWXNVXPTDIK-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236206336 819368894 /nfs/dbraw/zinc/36/88/94/819368894.db2.gz JORUWXNVXPTDIK-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP C[N@H+](Cc1ccccc1C(F)F)[C@]1(C)CCC[NH2+]C1 ZINC001236205777 819369346 /nfs/dbraw/zinc/36/93/46/819369346.db2.gz GWTXZLVBXKUKCC-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1ccccc1C(F)F)[C@]1(C)CCC[NH2+]C1 ZINC001236205777 819369352 /nfs/dbraw/zinc/36/93/52/819369352.db2.gz GWTXZLVBXKUKCC-OAHLLOKOSA-N 2 2 268.351 3.198 20 0 CGADLP COc1ccc2oc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236215750 819379741 /nfs/dbraw/zinc/37/97/41/819379741.db2.gz XRVCACDTENYMER-HZPDHXFCSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236215750 819379747 /nfs/dbraw/zinc/37/97/47/819379747.db2.gz XRVCACDTENYMER-HZPDHXFCSA-N 2 2 288.391 3.143 20 0 CGADLP C[N@H+](Cc1ccnc(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218721 819384656 /nfs/dbraw/zinc/38/46/56/819384656.db2.gz SWRBNRGCDBDZTN-LSDHHAIUSA-N 2 2 275.440 3.081 20 0 CGADLP C[N@@H+](Cc1ccnc(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218721 819384661 /nfs/dbraw/zinc/38/46/61/819384661.db2.gz SWRBNRGCDBDZTN-LSDHHAIUSA-N 2 2 275.440 3.081 20 0 CGADLP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220474 819387790 /nfs/dbraw/zinc/38/77/90/819387790.db2.gz ZIUUODACMOSSKA-HUUCEWRRSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220474 819387797 /nfs/dbraw/zinc/38/77/97/819387797.db2.gz ZIUUODACMOSSKA-HUUCEWRRSA-N 2 2 263.429 3.014 20 0 CGADLP c1cc2c(cccc2C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)o1 ZINC001236238726 819398073 /nfs/dbraw/zinc/39/80/73/819398073.db2.gz CGKAHQMYTNHBFS-OAHLLOKOSA-N 2 2 270.376 3.149 20 0 CGADLP c1cc2c(cccc2C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)o1 ZINC001236238726 819398082 /nfs/dbraw/zinc/39/80/82/819398082.db2.gz CGKAHQMYTNHBFS-OAHLLOKOSA-N 2 2 270.376 3.149 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241721 819400842 /nfs/dbraw/zinc/40/08/42/819400842.db2.gz ULMWHGGQDKRRDV-KRWDZBQOSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236241721 819400845 /nfs/dbraw/zinc/40/08/45/819400845.db2.gz ULMWHGGQDKRRDV-KRWDZBQOSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236243080 819401141 /nfs/dbraw/zinc/40/11/41/819401141.db2.gz BMFFIJIAMZNRJR-STQMWFEESA-N 2 2 296.842 3.447 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236243080 819401147 /nfs/dbraw/zinc/40/11/47/819401147.db2.gz BMFFIJIAMZNRJR-STQMWFEESA-N 2 2 296.842 3.447 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]c(N)[nH]2)cc1C ZINC001236243845 819402987 /nfs/dbraw/zinc/40/29/87/819402987.db2.gz HAQWUTWFCXZVCH-INIZCTEOSA-N 2 2 284.407 3.336 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]c(N)[nH]2)cc1C ZINC001236243845 819402991 /nfs/dbraw/zinc/40/29/91/819402991.db2.gz HAQWUTWFCXZVCH-INIZCTEOSA-N 2 2 284.407 3.336 20 0 CGADLP CS[C@@H](C)CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269320 819411995 /nfs/dbraw/zinc/41/19/95/819411995.db2.gz KECAYMZVYNYCSN-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CS[C@@H](C)CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269320 819411998 /nfs/dbraw/zinc/41/19/98/819411998.db2.gz KECAYMZVYNYCSN-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP CCC[N@H+](Cc1ccc2ccn(CC)c2c1)[C@H]1CC[NH2+]C1 ZINC001236324491 819426030 /nfs/dbraw/zinc/42/60/30/819426030.db2.gz WCOGXFCNWMTXPJ-KRWDZBQOSA-N 2 2 285.435 3.235 20 0 CGADLP CCC[N@@H+](Cc1ccc2ccn(CC)c2c1)[C@H]1CC[NH2+]C1 ZINC001236324491 819426033 /nfs/dbraw/zinc/42/60/33/819426033.db2.gz WCOGXFCNWMTXPJ-KRWDZBQOSA-N 2 2 285.435 3.235 20 0 CGADLP CCC[N@H+](Cc1cc(C)cc(SC)c1)[C@H]1CC[NH2+]C1 ZINC001236325674 819427287 /nfs/dbraw/zinc/42/72/87/819427287.db2.gz BKRYBAMDGKEZHE-HNNXBMFYSA-N 2 2 278.465 3.291 20 0 CGADLP CCC[N@@H+](Cc1cc(C)cc(SC)c1)[C@H]1CC[NH2+]C1 ZINC001236325674 819427291 /nfs/dbraw/zinc/42/72/91/819427291.db2.gz BKRYBAMDGKEZHE-HNNXBMFYSA-N 2 2 278.465 3.291 20 0 CGADLP Fc1ccc(C[N@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388195 819445953 /nfs/dbraw/zinc/44/59/53/819445953.db2.gz KPFLGXBMNNRVDZ-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccc(C[N@@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388195 819445957 /nfs/dbraw/zinc/44/59/57/819445957.db2.gz KPFLGXBMNNRVDZ-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)s1 ZINC001236423121 819470843 /nfs/dbraw/zinc/47/08/43/819470843.db2.gz ZSKKHDSNLNIINF-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)s1 ZINC001236423121 819470845 /nfs/dbraw/zinc/47/08/45/819470845.db2.gz ZSKKHDSNLNIINF-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1C(C)C ZINC001236526831 819518365 /nfs/dbraw/zinc/51/83/65/819518365.db2.gz DOOGUZPLWFARGH-MRXNPFEDSA-N 2 2 290.451 3.391 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1C(C)C ZINC001236526831 819518371 /nfs/dbraw/zinc/51/83/71/819518371.db2.gz DOOGUZPLWFARGH-MRXNPFEDSA-N 2 2 290.451 3.391 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236531039 819522445 /nfs/dbraw/zinc/52/24/45/819522445.db2.gz VILUJFNRXUPSMJ-IBGZPJMESA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC001236531039 819522449 /nfs/dbraw/zinc/52/24/49/819522449.db2.gz VILUJFNRXUPSMJ-IBGZPJMESA-N 2 2 295.430 3.321 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1CC ZINC001236531334 819523442 /nfs/dbraw/zinc/52/34/42/819523442.db2.gz XFIJDMOFFHBMEO-KRWDZBQOSA-N 2 2 290.451 3.220 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1CC ZINC001236531334 819523448 /nfs/dbraw/zinc/52/34/48/819523448.db2.gz XFIJDMOFFHBMEO-KRWDZBQOSA-N 2 2 290.451 3.220 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236531363 819523983 /nfs/dbraw/zinc/52/39/83/819523983.db2.gz XSYVQOGIUMKXDK-QGZVFWFLSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236531363 819523989 /nfs/dbraw/zinc/52/39/89/819523989.db2.gz XSYVQOGIUMKXDK-QGZVFWFLSA-N 2 2 290.451 3.294 20 0 CGADLP Nc1[nH+]cccc1-c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001243477183 823415658 /nfs/dbraw/zinc/41/56/58/823415658.db2.gz LIQBTJOHUPQERT-UHFFFAOYSA-N 2 2 260.300 3.360 20 0 CGADLP c1cc2cccc(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)c2o1 ZINC001236730790 819583802 /nfs/dbraw/zinc/58/38/02/819583802.db2.gz IICFBOASGZTHPT-UHFFFAOYSA-N 2 2 296.414 3.351 20 0 CGADLP c1cc2cccc(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)c2o1 ZINC001236730790 819583806 /nfs/dbraw/zinc/58/38/06/819583806.db2.gz IICFBOASGZTHPT-UHFFFAOYSA-N 2 2 296.414 3.351 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC001236830351 819612082 /nfs/dbraw/zinc/61/20/82/819612082.db2.gz NHPWOFSHJDOREP-WCFLWFBJSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1Cl ZINC001236830351 819612087 /nfs/dbraw/zinc/61/20/87/819612087.db2.gz NHPWOFSHJDOREP-WCFLWFBJSA-N 2 2 299.245 3.471 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(OC(C)C)cc1C ZINC001236885165 819630245 /nfs/dbraw/zinc/63/02/45/819630245.db2.gz ZORUOFKRTCPVSY-HNNXBMFYSA-N 2 2 278.440 3.260 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(OC(C)C)cc1C ZINC001236885165 819630251 /nfs/dbraw/zinc/63/02/51/819630251.db2.gz ZORUOFKRTCPVSY-HNNXBMFYSA-N 2 2 278.440 3.260 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001236883649 819630259 /nfs/dbraw/zinc/63/02/59/819630259.db2.gz IEJVSYAPQQREKZ-HNNXBMFYSA-N 2 2 287.382 3.057 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001236883649 819630262 /nfs/dbraw/zinc/63/02/62/819630262.db2.gz IEJVSYAPQQREKZ-HNNXBMFYSA-N 2 2 287.382 3.057 20 0 CGADLP CCc1cc(Br)ccc1C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236883664 819630751 /nfs/dbraw/zinc/63/07/51/819630751.db2.gz INRVOJBXODGOLM-AWEZNQCLSA-N 2 2 299.256 3.181 20 0 CGADLP CCc1cc(Br)ccc1C[N@H+](C)C[C@@H]([NH3+])CC ZINC001236883664 819630753 /nfs/dbraw/zinc/63/07/53/819630753.db2.gz INRVOJBXODGOLM-AWEZNQCLSA-N 2 2 299.256 3.181 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(Cl)cc1C ZINC001236884758 819630893 /nfs/dbraw/zinc/63/08/93/819630893.db2.gz RZHCSSWLGWZXFJ-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(Cl)cc1C ZINC001236884758 819630897 /nfs/dbraw/zinc/63/08/97/819630897.db2.gz RZHCSSWLGWZXFJ-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP FC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236904777 819635350 /nfs/dbraw/zinc/63/53/50/819635350.db2.gz VNFSRDMUWSXFCD-UHFFFAOYSA-N 2 2 293.773 3.460 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CCCC1CCCC1 ZINC001237019736 819644937 /nfs/dbraw/zinc/64/49/37/819644937.db2.gz LSXQFWLUSUUGAL-SFHVURJKSA-N 2 2 272.436 3.342 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CCCC1CCCC1 ZINC001237019736 819644939 /nfs/dbraw/zinc/64/49/39/819644939.db2.gz LSXQFWLUSUUGAL-SFHVURJKSA-N 2 2 272.436 3.342 20 0 CGADLP Cn1ccc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001237155546 819683243 /nfs/dbraw/zinc/68/32/43/819683243.db2.gz RQOKJIGLYMMPGN-SFHVURJKSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1ccc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001237155546 819683245 /nfs/dbraw/zinc/68/32/45/819683245.db2.gz RQOKJIGLYMMPGN-SFHVURJKSA-N 2 2 297.446 3.285 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382182 819738639 /nfs/dbraw/zinc/73/86/39/819738639.db2.gz MCMANFCSKSJJAO-YOEHRIQHSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382182 819738642 /nfs/dbraw/zinc/73/86/42/819738642.db2.gz MCMANFCSKSJJAO-YOEHRIQHSA-N 2 2 283.419 3.050 20 0 CGADLP C[N@H+](CCC(=O)c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238112098 819936514 /nfs/dbraw/zinc/93/65/14/819936514.db2.gz APBUHRHFQRAFRC-UHFFFAOYSA-N 2 2 293.370 3.039 20 0 CGADLP C[N@@H+](CCC(=O)c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238112098 819936524 /nfs/dbraw/zinc/93/65/24/819936524.db2.gz APBUHRHFQRAFRC-UHFFFAOYSA-N 2 2 293.370 3.039 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001238116195 819937323 /nfs/dbraw/zinc/93/73/23/819937323.db2.gz PTSBKRKTMNTEOV-GOSISDBHSA-N 2 2 299.418 3.115 20 0 CGADLP Oc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1Cl ZINC001243578298 823452287 /nfs/dbraw/zinc/45/22/87/823452287.db2.gz MWFMXFDRAPVLEW-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP [NH3+]CCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243658752 823477461 /nfs/dbraw/zinc/47/74/61/823477461.db2.gz GLTNOKFSAAUAOW-UHFFFAOYSA-N 2 2 277.371 3.100 20 0 CGADLP CCOc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239566199 820417543 /nfs/dbraw/zinc/41/75/43/820417543.db2.gz UORCRFKAHKZMDT-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239566199 820417548 /nfs/dbraw/zinc/41/75/48/820417548.db2.gz UORCRFKAHKZMDT-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(F)c(F)c3)c2)C1 ZINC001239585689 820435042 /nfs/dbraw/zinc/43/50/42/820435042.db2.gz IHSQXTHUSPZPBF-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(F)c(F)c3)c2)C1 ZINC001239585689 820435046 /nfs/dbraw/zinc/43/50/46/820435046.db2.gz IHSQXTHUSPZPBF-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP COc1ccc(C)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239769091 820590346 /nfs/dbraw/zinc/59/03/46/820590346.db2.gz ZDENNOCFINKZFU-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239769091 820590353 /nfs/dbraw/zinc/59/03/53/820590353.db2.gz ZDENNOCFINKZFU-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001240370748 821000110 /nfs/dbraw/zinc/00/01/10/821000110.db2.gz WECAQZAVLSDNQC-UHFFFAOYSA-N 2 2 255.365 3.219 20 0 CGADLP c1cc(-c2ccc3c(c2)CC[NH2+]C3)cc(N2CCCCC2)[nH+]1 ZINC001240455179 821066471 /nfs/dbraw/zinc/06/64/71/821066471.db2.gz BRPCYTZTJISEJK-UHFFFAOYSA-N 2 2 293.414 3.385 20 0 CGADLP Cc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240596115 821177525 /nfs/dbraw/zinc/17/75/25/821177525.db2.gz XTDIBUPSHQXUFN-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240596115 821177529 /nfs/dbraw/zinc/17/75/29/821177529.db2.gz XTDIBUPSHQXUFN-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP c1cc2c(cccc2-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)[nH]1 ZINC001240711680 821267154 /nfs/dbraw/zinc/26/71/54/821267154.db2.gz WDSTUNWJDMNZEI-UHFFFAOYSA-N 2 2 288.354 3.169 20 0 CGADLP Cc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)c(C)c[nH+]1 ZINC001240855813 821372856 /nfs/dbraw/zinc/37/28/56/821372856.db2.gz UVDIZDHLVKSBON-UHFFFAOYSA-N 2 2 281.403 3.117 20 0 CGADLP Nc1cc(-c2ccc(C[NH+]3CCCC3)c(F)c2)cc[nH+]1 ZINC001241176234 821618510 /nfs/dbraw/zinc/61/85/10/821618510.db2.gz WMJIXJQXMXOZQN-UHFFFAOYSA-N 2 2 271.339 3.066 20 0 CGADLP CC(C)(C)/C=C/c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001241565485 821951343 /nfs/dbraw/zinc/95/13/43/821951343.db2.gz AFOOLWDKLSGREY-DZZUKKPASA-N 2 2 258.409 3.279 20 0 CGADLP CC(C)(C)/C=C/c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001241565485 821951350 /nfs/dbraw/zinc/95/13/50/821951350.db2.gz AFOOLWDKLSGREY-DZZUKKPASA-N 2 2 258.409 3.279 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]CCCC(F)(F)F)C1 ZINC001352053120 926836838 /nfs/dbraw/zinc/83/68/38/926836838.db2.gz WXYLVUKKCWKAJU-UHFFFAOYSA-N 2 2 266.351 3.041 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]CCCC(F)(F)F)C1 ZINC001352053120 926836850 /nfs/dbraw/zinc/83/68/50/926836850.db2.gz WXYLVUKKCWKAJU-UHFFFAOYSA-N 2 2 266.351 3.041 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC001341120341 936428717 /nfs/dbraw/zinc/42/87/17/936428717.db2.gz MAQRLMRFAGLUIW-LBPRGKRZSA-N 2 2 291.345 3.294 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c(C)[nH+]1 ZINC001341120341 936428718 /nfs/dbraw/zinc/42/87/18/936428718.db2.gz MAQRLMRFAGLUIW-LBPRGKRZSA-N 2 2 291.345 3.294 20 0 CGADLP CCc1ccc(NC2CC[NH+](C3CCC3)CC2)[nH+]c1 ZINC001354213417 937094284 /nfs/dbraw/zinc/09/42/84/937094284.db2.gz IKSRJFFTBRCISV-UHFFFAOYSA-N 2 2 259.397 3.073 20 0 CGADLP Cc1nc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001458118156 937451890 /nfs/dbraw/zinc/45/18/90/937451890.db2.gz JTYPJTDAHUAWTO-RWMBFGLXSA-N 2 2 290.455 3.180 20 0 CGADLP C[C@H]1Cc2[nH+]cn(CC[N@H+](C)Cc3ccccc3)c2C[C@@H]1C ZINC001460152462 937518069 /nfs/dbraw/zinc/51/80/69/937518069.db2.gz UHFRVGLPRSLWRY-HOTGVXAUSA-N 2 2 297.446 3.386 20 0 CGADLP C[C@H]1Cc2[nH+]cn(CC[N@@H+](C)Cc3ccccc3)c2C[C@@H]1C ZINC001460152462 937518073 /nfs/dbraw/zinc/51/80/73/937518073.db2.gz UHFRVGLPRSLWRY-HOTGVXAUSA-N 2 2 297.446 3.386 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC001460199968 937520244 /nfs/dbraw/zinc/52/02/44/937520244.db2.gz VTJLJOHPBGGXSJ-UHFFFAOYSA-N 2 2 293.842 3.225 20 0 CGADLP COc1cccc2[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)ccc21 ZINC001162452167 931989444 /nfs/dbraw/zinc/98/94/44/931989444.db2.gz BUJQZIDUXDOFIH-KBPBESRZSA-N 2 2 299.418 3.291 20 0 CGADLP COc1ccsc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001461085740 937563352 /nfs/dbraw/zinc/56/33/52/937563352.db2.gz KGVJOMHXKZYFIY-CQSZACIVSA-N 2 2 293.436 3.158 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001461122398 937565569 /nfs/dbraw/zinc/56/55/69/937565569.db2.gz ZBUOCDNKBIKXCV-FUHWJXTLSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1cc(C)cc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001461264792 937573377 /nfs/dbraw/zinc/57/33/77/937573377.db2.gz QFMZRVXHTCNLDT-UHFFFAOYSA-N 2 2 269.392 3.290 20 0 CGADLP C[NH+](C)C1CCC(Oc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001229954354 932509855 /nfs/dbraw/zinc/50/98/55/932509855.db2.gz OFFAZCBLJDZRDM-UHFFFAOYSA-N 2 2 285.391 3.124 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001308053211 933040203 /nfs/dbraw/zinc/04/02/03/933040203.db2.gz QYVKPSUEOOZPDZ-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC001308053211 933040205 /nfs/dbraw/zinc/04/02/05/933040205.db2.gz QYVKPSUEOOZPDZ-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC001308053211 933040210 /nfs/dbraw/zinc/04/02/10/933040210.db2.gz QYVKPSUEOOZPDZ-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001308053211 933040215 /nfs/dbraw/zinc/04/02/15/933040215.db2.gz QYVKPSUEOOZPDZ-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)c1 ZINC001308053190 933041643 /nfs/dbraw/zinc/04/16/43/933041643.db2.gz QKPLVGQPMSJQPP-ROUUACIJSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1 ZINC001308053190 933041646 /nfs/dbraw/zinc/04/16/46/933041646.db2.gz QKPLVGQPMSJQPP-ROUUACIJSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c(C)c1 ZINC001308053190 933041650 /nfs/dbraw/zinc/04/16/50/933041650.db2.gz QKPLVGQPMSJQPP-ROUUACIJSA-N 2 2 272.436 3.280 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c(C)c1 ZINC001308053190 933041653 /nfs/dbraw/zinc/04/16/53/933041653.db2.gz QKPLVGQPMSJQPP-ROUUACIJSA-N 2 2 272.436 3.280 20 0 CGADLP CC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)C(F)F)CC1 ZINC001462679658 937659162 /nfs/dbraw/zinc/65/91/62/937659162.db2.gz CRYSNVOHLZRXBC-HNNXBMFYSA-N 2 2 282.378 3.314 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001308741023 933168897 /nfs/dbraw/zinc/16/88/97/933168897.db2.gz FSMAZSXEPPAWTO-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCCC[N@H+]1C1CC1 ZINC001308741023 933168901 /nfs/dbraw/zinc/16/89/01/933168901.db2.gz FSMAZSXEPPAWTO-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC12CCC2 ZINC001308777843 933175369 /nfs/dbraw/zinc/17/53/69/933175369.db2.gz FUHBSRMTWVLPIJ-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864203 933192498 /nfs/dbraw/zinc/19/24/98/933192498.db2.gz LZODYRRTQBBDJP-ZSGPHXLJSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864203 933192499 /nfs/dbraw/zinc/19/24/99/933192499.db2.gz LZODYRRTQBBDJP-ZSGPHXLJSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001308974493 933217121 /nfs/dbraw/zinc/21/71/21/933217121.db2.gz IMWAXUUVNKKJII-INIZCTEOSA-N 2 2 286.463 3.113 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001308974493 933217127 /nfs/dbraw/zinc/21/71/27/933217127.db2.gz IMWAXUUVNKKJII-INIZCTEOSA-N 2 2 286.463 3.113 20 0 CGADLP CSC1(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CCC1 ZINC001308983635 933221545 /nfs/dbraw/zinc/22/15/45/933221545.db2.gz GNIRIFPFGNXDLH-UHFFFAOYSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CCC1 ZINC001308983635 933221548 /nfs/dbraw/zinc/22/15/48/933221548.db2.gz GNIRIFPFGNXDLH-UHFFFAOYSA-N 2 2 270.486 3.125 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC001324904439 934871077 /nfs/dbraw/zinc/87/10/77/934871077.db2.gz LASXHLMVKFFPDC-LSDHHAIUSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC001324904439 934871086 /nfs/dbraw/zinc/87/10/86/934871086.db2.gz LASXHLMVKFFPDC-LSDHHAIUSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1c[nH+]ccc1N ZINC001325743047 934926495 /nfs/dbraw/zinc/92/64/95/934926495.db2.gz IQIOVUWTCWUGOY-SNVBAGLBSA-N 2 2 277.318 3.283 20 0 CGADLP C[C@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC001327838456 935088527 /nfs/dbraw/zinc/08/85/27/935088527.db2.gz HWXSSOAVDTVORB-WMLDXEAASA-N 2 2 299.418 3.004 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001329575034 935229715 /nfs/dbraw/zinc/22/97/15/935229715.db2.gz WPIBDXIIGNCGDD-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001329575034 935229718 /nfs/dbraw/zinc/22/97/18/935229718.db2.gz WPIBDXIIGNCGDD-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC001332691594 935481889 /nfs/dbraw/zinc/48/18/89/935481889.db2.gz NTJUYDAXSUCCQE-CTOCQWKHSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2cccc(F)c2)CC[N@H+]1C ZINC001332691594 935481892 /nfs/dbraw/zinc/48/18/92/935481892.db2.gz NTJUYDAXSUCCQE-CTOCQWKHSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2cccc(F)c2)CC[NH+]1C ZINC001332691594 935481894 /nfs/dbraw/zinc/48/18/94/935481894.db2.gz NTJUYDAXSUCCQE-CTOCQWKHSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2cccc(F)c2)CC[NH+]1C ZINC001332691594 935481898 /nfs/dbraw/zinc/48/18/98/935481898.db2.gz NTJUYDAXSUCCQE-CTOCQWKHSA-N 2 2 276.399 3.253 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001333679272 935560546 /nfs/dbraw/zinc/56/05/46/935560546.db2.gz DUOPYYCWVHJRAI-UHFFFAOYSA-N 2 2 299.422 3.084 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001473893770 937828514 /nfs/dbraw/zinc/82/85/14/937828514.db2.gz AHAHBYBRAVHNLD-UHFFFAOYSA-N 2 2 289.345 3.332 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@H]2C[C@H]2C2CC2)C1 ZINC001550241668 938164695 /nfs/dbraw/zinc/16/46/95/938164695.db2.gz AALVFONPQHPABN-XHSDSOJGSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@H]2C[C@H]2C2CC2)C1 ZINC001550241668 938164696 /nfs/dbraw/zinc/16/46/96/938164696.db2.gz AALVFONPQHPABN-XHSDSOJGSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001550711043 938170507 /nfs/dbraw/zinc/17/05/07/938170507.db2.gz SJDUVFNMNSXMER-OIISXLGYSA-N 2 2 299.393 3.295 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001550711043 938170508 /nfs/dbraw/zinc/17/05/08/938170508.db2.gz SJDUVFNMNSXMER-OIISXLGYSA-N 2 2 299.393 3.295 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC001551378895 938180569 /nfs/dbraw/zinc/18/05/69/938180569.db2.gz VAJOJBNBMCYIEK-FGTMMUONSA-N 2 2 282.362 3.027 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCCCC1(C)C ZINC001560136794 938244831 /nfs/dbraw/zinc/24/48/31/938244831.db2.gz DXBYMDMFVJECOX-OWCLPIDISA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCCCC1(C)C ZINC001560136794 938244832 /nfs/dbraw/zinc/24/48/32/938244832.db2.gz DXBYMDMFVJECOX-OWCLPIDISA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCCCC1(C)C ZINC001560136794 938244833 /nfs/dbraw/zinc/24/48/33/938244833.db2.gz DXBYMDMFVJECOX-OWCLPIDISA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCCCC1(C)C ZINC001560136794 938244834 /nfs/dbraw/zinc/24/48/34/938244834.db2.gz DXBYMDMFVJECOX-OWCLPIDISA-N 2 2 264.457 3.371 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001560234245 938248607 /nfs/dbraw/zinc/24/86/07/938248607.db2.gz YHQJKGJBXMSIPE-UHFFFAOYSA-N 2 2 291.345 3.078 20 0 CGADLP C[C@H](C[NH2+]Cc1cscc1Cl)C[NH+]1CCCC1 ZINC001560275126 938250773 /nfs/dbraw/zinc/25/07/73/938250773.db2.gz YZSLOKRCJXRHBF-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC001560524137 938261462 /nfs/dbraw/zinc/26/14/62/938261462.db2.gz ZSBWRNICEPCMST-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC001560524137 938261463 /nfs/dbraw/zinc/26/14/63/938261463.db2.gz ZSBWRNICEPCMST-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP C1C[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC001560909511 938283347 /nfs/dbraw/zinc/28/33/47/938283347.db2.gz XBQXHTQLHZFTIB-KSWRQPAISA-N 2 2 262.441 3.172 20 0 CGADLP C1C[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC001560909511 938283348 /nfs/dbraw/zinc/28/33/48/938283348.db2.gz XBQXHTQLHZFTIB-KSWRQPAISA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC001575543753 962392498 /nfs/dbraw/zinc/39/24/98/962392498.db2.gz CIJIUCJRSYMVKF-LBPRGKRZSA-N 2 2 290.329 3.048 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC001578912391 962606739 /nfs/dbraw/zinc/60/67/39/962606739.db2.gz FNMPXYBBSQGEFV-CZPYZCIJSA-N 2 2 296.842 3.004 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2conc2Cc2ccccc2)CCCCC1 ZINC001580152885 962697905 /nfs/dbraw/zinc/69/79/05/962697905.db2.gz WRXOAHQPEFZMPC-UHFFFAOYSA-N 2 2 299.418 3.017 20 0 CGADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc2c1CCC2 ZINC001580309346 962714132 /nfs/dbraw/zinc/71/41/32/962714132.db2.gz FFDWKPLPRWFTSU-UHFFFAOYSA-N 2 2 294.442 3.179 20 0 CGADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc2c1CCC2 ZINC001580309346 962714145 /nfs/dbraw/zinc/71/41/45/962714145.db2.gz FFDWKPLPRWFTSU-UHFFFAOYSA-N 2 2 294.442 3.179 20 0 CGADLP c1ccc(-c2ccccc2C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001580891724 962738646 /nfs/dbraw/zinc/73/86/46/962738646.db2.gz FQXKMVGTNLKQEW-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Oc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001580888019 962741105 /nfs/dbraw/zinc/74/11/05/962741105.db2.gz DWINWRSPEVYOBB-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1cc(Cl)cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001580888019 962741120 /nfs/dbraw/zinc/74/11/20/962741120.db2.gz DWINWRSPEVYOBB-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP c1ccc(OCc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC001580895430 962742416 /nfs/dbraw/zinc/74/24/16/962742416.db2.gz KNCICUJUPNPFQK-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)nn1C ZINC000337388176 214045609 /nfs/dbraw/zinc/04/56/09/214045609.db2.gz JFMATARHLAOTCA-OAHLLOKOSA-N 2 2 292.471 3.034 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)nn1C ZINC000337388176 214045613 /nfs/dbraw/zinc/04/56/13/214045613.db2.gz JFMATARHLAOTCA-OAHLLOKOSA-N 2 2 292.471 3.034 20 0 CGADLP CC[C@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+]1CCCC1 ZINC000338689976 214722216 /nfs/dbraw/zinc/72/22/16/214722216.db2.gz DFGDTVQVLSMFRC-MRXNPFEDSA-N 2 2 264.457 3.419 20 0 CGADLP c1[nH+]cn2c1C[N@H+](CCCSCc1ccccc1)CC2 ZINC000590599733 346853797 /nfs/dbraw/zinc/85/37/97/346853797.db2.gz LWRPYQAXIVRPQU-UHFFFAOYSA-N 2 2 287.432 3.022 20 0 CGADLP c1[nH+]cn2c1C[N@@H+](CCCSCc1ccccc1)CC2 ZINC000590599733 346853801 /nfs/dbraw/zinc/85/38/01/346853801.db2.gz LWRPYQAXIVRPQU-UHFFFAOYSA-N 2 2 287.432 3.022 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750669 398281729 /nfs/dbraw/zinc/28/17/29/398281729.db2.gz SGURKJCHFUQWEF-NVXWUHKLSA-N 2 2 271.408 3.435 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000622043598 349623326 /nfs/dbraw/zinc/62/33/26/349623326.db2.gz DZSOVKFIAJXBPA-IRXDYDNUSA-N 2 2 286.350 3.069 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423298838 282954667 /nfs/dbraw/zinc/95/46/67/282954667.db2.gz OXTRXBOKWRSHFB-UKRRQHHQSA-N 2 2 280.387 3.147 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000652207058 398327334 /nfs/dbraw/zinc/32/73/34/398327334.db2.gz BLHFBHWQTOKKJG-GOSISDBHSA-N 2 2 298.434 3.269 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423484140 529453123 /nfs/dbraw/zinc/45/31/23/529453123.db2.gz YIQMRYQXTWPLNN-WPRPVWTQSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC)cc1 ZINC000423253197 529611489 /nfs/dbraw/zinc/61/14/89/529611489.db2.gz YOTQDWJLOVGRLU-MSOLQXFVSA-N 2 2 284.403 3.436 20 0 CGADLP COc1cccc(C)c1C[NH2+]CCc1cc[nH+]cc1C ZINC000623015176 349751568 /nfs/dbraw/zinc/75/15/68/349751568.db2.gz KSPCVWPUNARSMR-UHFFFAOYSA-N 2 2 270.376 3.039 20 0 CGADLP Cc1ccc(C)c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088255 349757732 /nfs/dbraw/zinc/75/77/32/349757732.db2.gz BZYRXTYVYPAKRD-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000173352320 529620358 /nfs/dbraw/zinc/62/03/58/529620358.db2.gz GDKVDIXAYBXBRM-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000173352320 529620359 /nfs/dbraw/zinc/62/03/59/529620359.db2.gz GDKVDIXAYBXBRM-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423233440 529620402 /nfs/dbraw/zinc/62/04/02/529620402.db2.gz JVYPLSARKJIIJV-YPMHNXCESA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414066169 529632091 /nfs/dbraw/zinc/63/20/91/529632091.db2.gz PILYAOOPLAGZHK-OLMNPRSZSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423513678 529616954 /nfs/dbraw/zinc/61/69/54/529616954.db2.gz VPAUBDXDKFFHHQ-WMLDXEAASA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000367368963 529635079 /nfs/dbraw/zinc/63/50/79/529635079.db2.gz YQNBFICHMHKVOR-INIZCTEOSA-N 2 2 269.392 3.460 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623372798 349792723 /nfs/dbraw/zinc/79/27/23/349792723.db2.gz GKICBQBBGVODTI-JLSDUUJJSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623372798 349792725 /nfs/dbraw/zinc/79/27/25/349792725.db2.gz GKICBQBBGVODTI-JLSDUUJJSA-N 2 2 272.436 3.143 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427873835 529672727 /nfs/dbraw/zinc/67/27/27/529672727.db2.gz LPHZKUZEXDWQSN-GJZGRUSLSA-N 2 2 273.355 3.078 20 0 CGADLP Fc1ccc(F)c(C[NH2+]CCCCn2cc[nH+]c2)c1Cl ZINC000623371638 349792492 /nfs/dbraw/zinc/79/24/92/349792492.db2.gz LWUBQGLZWOKQDA-UHFFFAOYSA-N 2 2 299.752 3.385 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccco2)cn1 ZINC000126430700 187239150 /nfs/dbraw/zinc/23/91/50/187239150.db2.gz RWVNLRDGKUZZPT-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866763 346942506 /nfs/dbraw/zinc/94/25/06/346942506.db2.gz FDMVGFDFKZUTOU-XJKSGUPXSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866763 346942510 /nfs/dbraw/zinc/94/25/10/346942510.db2.gz FDMVGFDFKZUTOU-XJKSGUPXSA-N 2 2 273.355 3.420 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445834 349811601 /nfs/dbraw/zinc/81/16/01/349811601.db2.gz GXBZHECUIINJKI-SMDDNHRTSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445834 349811602 /nfs/dbraw/zinc/81/16/02/349811602.db2.gz GXBZHECUIINJKI-SMDDNHRTSA-N 2 2 294.826 3.236 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427863827 529722468 /nfs/dbraw/zinc/72/24/68/529722468.db2.gz ZPNKGZUYISKHPW-BBRMVZONSA-N 2 2 269.392 3.111 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000423381142 529729850 /nfs/dbraw/zinc/72/98/50/529729850.db2.gz HSODDQIWXPQCFS-WCQYABFASA-N 2 2 295.496 3.443 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@@H+]1C1CC1 ZINC000623787340 349884079 /nfs/dbraw/zinc/88/40/79/349884079.db2.gz IVVNZDCIEJFFDY-RYUDHWBXSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@H+]1C1CC1 ZINC000623787340 349884081 /nfs/dbraw/zinc/88/40/81/349884081.db2.gz IVVNZDCIEJFFDY-RYUDHWBXSA-N 2 2 290.373 3.324 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040671740 344965005 /nfs/dbraw/zinc/96/50/05/344965005.db2.gz DRJPSQNPUKHCIL-YMAMQOFZSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040671740 344965007 /nfs/dbraw/zinc/96/50/07/344965007.db2.gz DRJPSQNPUKHCIL-YMAMQOFZSA-N 2 2 252.446 3.275 20 0 CGADLP Clc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051924860 345094159 /nfs/dbraw/zinc/09/41/59/345094159.db2.gz AZEVKVMGESNLFT-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CC1CCCCC1 ZINC000069311487 345376950 /nfs/dbraw/zinc/37/69/50/345376950.db2.gz SIHDSRWOUBOPFK-QGZVFWFLSA-N 2 2 258.409 3.125 20 0 CGADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CC1CCCCC1 ZINC000069311487 345376953 /nfs/dbraw/zinc/37/69/53/345376953.db2.gz SIHDSRWOUBOPFK-QGZVFWFLSA-N 2 2 258.409 3.125 20 0 CGADLP C[C@H]([NH2+]Cc1cccn1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072889504 345420516 /nfs/dbraw/zinc/42/05/16/345420516.db2.gz UDLKRFDYWPWMMW-AWEZNQCLSA-N 2 2 280.375 3.062 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000077248727 345564783 /nfs/dbraw/zinc/56/47/83/345564783.db2.gz LEMGZUHGVHLMFO-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000077248727 345564785 /nfs/dbraw/zinc/56/47/85/345564785.db2.gz LEMGZUHGVHLMFO-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP Cc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000079936208 345659217 /nfs/dbraw/zinc/65/92/17/345659217.db2.gz RKKHPRYFANAAND-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000156171662 232226857 /nfs/dbraw/zinc/22/68/57/232226857.db2.gz RBMLALXIDFDJKQ-JHJVBQTASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000156171662 232226858 /nfs/dbraw/zinc/22/68/58/232226858.db2.gz RBMLALXIDFDJKQ-JHJVBQTASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961762 345692617 /nfs/dbraw/zinc/69/26/17/345692617.db2.gz SIPUHFFCBVLSKG-JSGCOSHPSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961762 345692621 /nfs/dbraw/zinc/69/26/21/345692621.db2.gz SIPUHFFCBVLSKG-JSGCOSHPSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974124 345693517 /nfs/dbraw/zinc/69/35/17/345693517.db2.gz KUZRDKYHEKGDSF-OLZOCXBDSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974124 345693520 /nfs/dbraw/zinc/69/35/20/345693520.db2.gz KUZRDKYHEKGDSF-OLZOCXBDSA-N 2 2 273.355 3.489 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000091479670 345815636 /nfs/dbraw/zinc/81/56/36/345815636.db2.gz YSXZSLALFBXZPP-JTQLQIEISA-N 2 2 296.296 3.208 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000091479672 345815942 /nfs/dbraw/zinc/81/59/42/345815942.db2.gz YSXZSLALFBXZPP-SNVBAGLBSA-N 2 2 296.296 3.208 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1C ZINC000090048267 345779165 /nfs/dbraw/zinc/77/91/65/345779165.db2.gz FEBRVYBHQIRGTK-DOTOQJQBSA-N 2 2 290.451 3.065 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092745498 345855910 /nfs/dbraw/zinc/85/59/10/345855910.db2.gz HSTFITFSTHNQGJ-AWEZNQCLSA-N 2 2 281.419 3.383 20 0 CGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cn1 ZINC000092750108 345856173 /nfs/dbraw/zinc/85/61/73/345856173.db2.gz CNZLOVIJGZSWOV-IUODEOHRSA-N 2 2 281.419 3.238 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC000093178598 345872292 /nfs/dbraw/zinc/87/22/92/345872292.db2.gz KJAKKXAOPOHGOJ-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@H+]1C ZINC000093178598 345872293 /nfs/dbraw/zinc/87/22/93/345872293.db2.gz KJAKKXAOPOHGOJ-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178598 345872296 /nfs/dbraw/zinc/87/22/96/345872296.db2.gz KJAKKXAOPOHGOJ-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178598 345872298 /nfs/dbraw/zinc/87/22/98/345872298.db2.gz KJAKKXAOPOHGOJ-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000116998831 345980813 /nfs/dbraw/zinc/98/08/13/345980813.db2.gz RXRHHGKKCQDLSC-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP CC(C)CCn1cccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000172628264 346228094 /nfs/dbraw/zinc/22/80/94/346228094.db2.gz SSZOWEIJKKKXFZ-MRXNPFEDSA-N 2 2 288.439 3.157 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000228220461 346313812 /nfs/dbraw/zinc/31/38/12/346313812.db2.gz BOPWPVWBLGHNGB-GJZGRUSLSA-N 2 2 267.376 3.274 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000228220461 346313815 /nfs/dbraw/zinc/31/38/15/346313815.db2.gz BOPWPVWBLGHNGB-GJZGRUSLSA-N 2 2 267.376 3.274 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101278 349970714 /nfs/dbraw/zinc/97/07/14/349970714.db2.gz WSPNXJGUGVTBRL-SQWLQELKSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101278 349970716 /nfs/dbraw/zinc/97/07/16/349970716.db2.gz WSPNXJGUGVTBRL-SQWLQELKSA-N 2 2 258.409 3.227 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000584682253 346707230 /nfs/dbraw/zinc/70/72/30/346707230.db2.gz MCGIADIYZCGKSU-VRKREXBASA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000584682253 346707231 /nfs/dbraw/zinc/70/72/31/346707231.db2.gz MCGIADIYZCGKSU-VRKREXBASA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000584682253 346707233 /nfs/dbraw/zinc/70/72/33/346707233.db2.gz MCGIADIYZCGKSU-VRKREXBASA-N 2 2 276.424 3.175 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000584682253 346707235 /nfs/dbraw/zinc/70/72/35/346707235.db2.gz MCGIADIYZCGKSU-VRKREXBASA-N 2 2 276.424 3.175 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000594748437 347216400 /nfs/dbraw/zinc/21/64/00/347216400.db2.gz SHSSJWGWCDXBFL-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000594748437 347216402 /nfs/dbraw/zinc/21/64/02/347216402.db2.gz SHSSJWGWCDXBFL-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CC(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881031 219237199 /nfs/dbraw/zinc/23/71/99/219237199.db2.gz YBSNYZHIVGUERT-MTCSXPRVSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881031 219237200 /nfs/dbraw/zinc/23/72/00/219237200.db2.gz YBSNYZHIVGUERT-MTCSXPRVSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[NH+]2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881031 219237202 /nfs/dbraw/zinc/23/72/02/219237202.db2.gz YBSNYZHIVGUERT-MTCSXPRVSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[NH+]2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000351881031 219237204 /nfs/dbraw/zinc/23/72/04/219237204.db2.gz YBSNYZHIVGUERT-MTCSXPRVSA-N 2 2 294.483 3.139 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(C3CCC3)cc1)CC2 ZINC000339364674 215124216 /nfs/dbraw/zinc/12/42/16/215124216.db2.gz WCJRMIQYYUAGBD-KRWDZBQOSA-N 2 2 281.403 3.255 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604386359 348118017 /nfs/dbraw/zinc/11/80/17/348118017.db2.gz PJBPUIFJZQZPEX-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604386359 348118019 /nfs/dbraw/zinc/11/80/19/348118019.db2.gz PJBPUIFJZQZPEX-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(OC(F)F)cc1C ZINC000608054708 348278692 /nfs/dbraw/zinc/27/86/92/348278692.db2.gz YGVXDUPIMLEYLE-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(OC(F)F)cc1C ZINC000608054708 348278695 /nfs/dbraw/zinc/27/86/95/348278695.db2.gz YGVXDUPIMLEYLE-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000339471281 215193708 /nfs/dbraw/zinc/19/37/08/215193708.db2.gz XJVIYPRCOIURTI-BLYZHGLHSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000339471281 215193713 /nfs/dbraw/zinc/19/37/13/215193713.db2.gz XJVIYPRCOIURTI-BLYZHGLHSA-N 2 2 250.430 3.026 20 0 CGADLP COCc1ccccc1/C=C(/C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000351992761 219279695 /nfs/dbraw/zinc/27/96/95/219279695.db2.gz FMLLDQFNSGPCMA-PTNGSMBKSA-N 2 2 290.451 3.166 20 0 CGADLP CC1(C)CCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000339574314 215249127 /nfs/dbraw/zinc/24/91/27/215249127.db2.gz HOAJZKONFSFTNS-ZDUSSCGKSA-N 2 2 257.381 3.250 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625199622 350139774 /nfs/dbraw/zinc/13/97/74/350139774.db2.gz IDCICVKXXOYGBF-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625199622 350139782 /nfs/dbraw/zinc/13/97/82/350139782.db2.gz IDCICVKXXOYGBF-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000625435174 350170828 /nfs/dbraw/zinc/17/08/28/350170828.db2.gz BREPWUBYVNREGD-UHFFFAOYSA-N 2 2 287.432 3.177 20 0 CGADLP Cc1ccc(SCC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000625435174 350170832 /nfs/dbraw/zinc/17/08/32/350170832.db2.gz BREPWUBYVNREGD-UHFFFAOYSA-N 2 2 287.432 3.177 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000628163043 350418002 /nfs/dbraw/zinc/41/80/02/350418002.db2.gz NRMHWZCEAREPAC-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000628163043 350418004 /nfs/dbraw/zinc/41/80/04/350418004.db2.gz NRMHWZCEAREPAC-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2c[nH+]cc3c2CCCC3)CC1(C)C ZINC000628336951 350503707 /nfs/dbraw/zinc/50/37/07/350503707.db2.gz TZSPVHCJQYGXAU-CQSZACIVSA-N 2 2 273.424 3.245 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2c[nH+]cc3c2CCCC3)CC1(C)C ZINC000628336951 350503711 /nfs/dbraw/zinc/50/37/11/350503711.db2.gz TZSPVHCJQYGXAU-CQSZACIVSA-N 2 2 273.424 3.245 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c[nH+]1 ZINC000628422826 350535105 /nfs/dbraw/zinc/53/51/05/350535105.db2.gz NGBSYAHFSPZXNW-CVEARBPZSA-N 2 2 276.449 3.293 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c[nH+]1 ZINC000628422826 350535109 /nfs/dbraw/zinc/53/51/09/350535109.db2.gz NGBSYAHFSPZXNW-CVEARBPZSA-N 2 2 276.449 3.293 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000629525915 350702180 /nfs/dbraw/zinc/70/21/80/350702180.db2.gz GHVYNAAYWVQTLD-BFHYXJOUSA-N 2 2 262.397 3.023 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000629527311 350703197 /nfs/dbraw/zinc/70/31/97/350703197.db2.gz RMCHMEMEYJDHFC-BBWFWOEESA-N 2 2 276.424 3.122 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(C)c1F ZINC000629534462 350704831 /nfs/dbraw/zinc/70/48/31/350704831.db2.gz AAMYQEPQWIZDKI-KCQAQPDRSA-N 2 2 264.388 3.234 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000629534528 350705166 /nfs/dbraw/zinc/70/51/66/350705166.db2.gz ALEHQJKDJNTRNR-PMUMKWKESA-N 2 2 289.467 3.244 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1nccc2ccccc21 ZINC000629536515 350705966 /nfs/dbraw/zinc/70/59/66/350705966.db2.gz FNAMWFFXPIOAEU-UMVBOHGHSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCC2 ZINC000629539390 350706621 /nfs/dbraw/zinc/70/66/21/350706621.db2.gz OVHHDEHWDWHNBP-NTZNESFSSA-N 2 2 264.438 3.028 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629540243 350706960 /nfs/dbraw/zinc/70/69/60/350706960.db2.gz VFEFZBXSWRMGIC-AGIUHOORSA-N 2 2 298.377 3.388 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000629543975 350708551 /nfs/dbraw/zinc/70/85/51/350708551.db2.gz HOVGXVIQQUTKNH-OUJBWJOFSA-N 2 2 278.783 3.487 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000629543492 350708689 /nfs/dbraw/zinc/70/86/89/350708689.db2.gz AFSVYDVMXNGKHD-VUCTXSBTSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548445 350709953 /nfs/dbraw/zinc/70/99/53/350709953.db2.gz OVUJQBVNCQKZJD-HOSYDEDBSA-N 2 2 281.469 3.150 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000629547089 350710409 /nfs/dbraw/zinc/71/04/09/350710409.db2.gz GCKYGERQVUSSDZ-LEWSCRJBSA-N 2 2 297.240 3.240 20 0 CGADLP CC[N@H+](CC[NH3+])CCOC(c1ccccc1)c1ccccc1 ZINC000629557601 350712812 /nfs/dbraw/zinc/71/28/12/350712812.db2.gz SUUJCGUAOOWUCS-UHFFFAOYSA-N 2 2 298.430 3.073 20 0 CGADLP CC[N@@H+](CC[NH3+])CCOC(c1ccccc1)c1ccccc1 ZINC000629557601 350712817 /nfs/dbraw/zinc/71/28/17/350712817.db2.gz SUUJCGUAOOWUCS-UHFFFAOYSA-N 2 2 298.430 3.073 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)oc2cc1C ZINC000629410086 350690158 /nfs/dbraw/zinc/69/01/58/350690158.db2.gz FBVRHMVKCADFFK-DZGCQCFKSA-N 2 2 272.392 3.280 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CC[C@H](C)[NH2+]C3)oc2cc1C ZINC000629410090 350690435 /nfs/dbraw/zinc/69/04/35/350690435.db2.gz FBVRHMVKCADFFK-ZFWWWQNUSA-N 2 2 272.392 3.280 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000629515443 350699954 /nfs/dbraw/zinc/69/99/54/350699954.db2.gz TVGPFLQAMJTOBJ-KDOFPFPSSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000629515443 350699956 /nfs/dbraw/zinc/69/99/56/350699956.db2.gz TVGPFLQAMJTOBJ-KDOFPFPSSA-N 2 2 283.419 3.102 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631246929 351005209 /nfs/dbraw/zinc/00/52/09/351005209.db2.gz MEDDRRGBIWIUIP-MRXNPFEDSA-N 2 2 269.392 3.155 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCC2 ZINC000631643069 351102571 /nfs/dbraw/zinc/10/25/71/351102571.db2.gz BZDYUNBCEYNJNO-FGTMMUONSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000631643069 351102574 /nfs/dbraw/zinc/10/25/74/351102574.db2.gz BZDYUNBCEYNJNO-FGTMMUONSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000631622192 351093715 /nfs/dbraw/zinc/09/37/15/351093715.db2.gz NLMJVKMWQULRSE-YJBOKZPZSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000631622192 351093717 /nfs/dbraw/zinc/09/37/17/351093717.db2.gz NLMJVKMWQULRSE-YJBOKZPZSA-N 2 2 285.435 3.066 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634993993 351619288 /nfs/dbraw/zinc/61/92/88/351619288.db2.gz MZECUTHSFQLTRZ-PWZRNIHTSA-N 2 2 274.383 3.105 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634993993 351619290 /nfs/dbraw/zinc/61/92/90/351619290.db2.gz MZECUTHSFQLTRZ-PWZRNIHTSA-N 2 2 274.383 3.105 20 0 CGADLP c1ccc(CCC[C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992853 351619717 /nfs/dbraw/zinc/61/97/17/351619717.db2.gz DCMPLWGMBSWMEL-JLAWEPINSA-N 2 2 284.447 3.226 20 0 CGADLP c1ccc(CCC[C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634992853 351619722 /nfs/dbraw/zinc/61/97/22/351619722.db2.gz DCMPLWGMBSWMEL-JLAWEPINSA-N 2 2 284.447 3.226 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000635005550 351624022 /nfs/dbraw/zinc/62/40/22/351624022.db2.gz UWNURYYDVUYBBV-MNOVXSKESA-N 2 2 292.370 3.387 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@@H+]1C ZINC000123119879 187072214 /nfs/dbraw/zinc/07/22/14/187072214.db2.gz ZWLSYPYVTPPFSU-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@H+]1C ZINC000123119879 187072215 /nfs/dbraw/zinc/07/22/15/187072215.db2.gz ZWLSYPYVTPPFSU-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123119879 187072216 /nfs/dbraw/zinc/07/22/16/187072216.db2.gz ZWLSYPYVTPPFSU-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123119879 187072217 /nfs/dbraw/zinc/07/22/17/187072217.db2.gz ZWLSYPYVTPPFSU-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2F)c2ccccc21 ZINC000131901997 187595190 /nfs/dbraw/zinc/59/51/90/187595190.db2.gz PSKUTSRDQWLSRM-CVEARBPZSA-N 2 2 256.324 3.060 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc[nH+]cc1C)CC2 ZINC000271518557 191187035 /nfs/dbraw/zinc/18/70/35/191187035.db2.gz PAHXQWJHHBTAMU-SFHVURJKSA-N 2 2 282.387 3.218 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439490 234215369 /nfs/dbraw/zinc/21/53/69/234215369.db2.gz UYLFHSCCIATDPB-CYBMUJFWSA-N 2 2 285.391 3.079 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCCC23CCCC3)c[nH+]1 ZINC000367756719 234249381 /nfs/dbraw/zinc/24/93/81/234249381.db2.gz HQEAVGSPSPXLFH-OAHLLOKOSA-N 2 2 261.413 3.366 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnccc2C)[nH+]1 ZINC000368568763 234323703 /nfs/dbraw/zinc/32/37/03/234323703.db2.gz HQSWLPKEHPPBDV-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnccc2C)[nH+]1 ZINC000368568763 234323705 /nfs/dbraw/zinc/32/37/05/234323705.db2.gz HQSWLPKEHPPBDV-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000156209364 188249584 /nfs/dbraw/zinc/24/95/84/188249584.db2.gz VBCLYXVELNZTAJ-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000156209364 188249585 /nfs/dbraw/zinc/24/95/85/188249585.db2.gz VBCLYXVELNZTAJ-CVEARBPZSA-N 2 2 298.434 3.038 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293246300 198574271 /nfs/dbraw/zinc/57/42/71/198574271.db2.gz RFHZPWHOEUURGF-LBPRGKRZSA-N 2 2 292.814 3.113 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293246300 198574273 /nfs/dbraw/zinc/57/42/73/198574273.db2.gz RFHZPWHOEUURGF-LBPRGKRZSA-N 2 2 292.814 3.113 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000340178381 215475268 /nfs/dbraw/zinc/47/52/68/215475268.db2.gz HZQODMDQIPQVPW-ZDUSSCGKSA-N 2 2 289.423 3.138 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411339732 235049560 /nfs/dbraw/zinc/04/95/60/235049560.db2.gz ZBDUZUJWCZPOAM-BZSNNMDCSA-N 2 2 299.393 3.351 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCSC1 ZINC000271777929 191320742 /nfs/dbraw/zinc/32/07/42/191320742.db2.gz VINSTJIIZVZWTK-IRXDYDNUSA-N 2 2 290.476 3.165 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)C2CCC2)cc1 ZINC000414131313 235344351 /nfs/dbraw/zinc/34/43/51/235344351.db2.gz ZCCHTKWTCIUSPH-GOSISDBHSA-N 2 2 283.419 3.402 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)c1 ZINC000414122963 235340811 /nfs/dbraw/zinc/34/08/11/235340811.db2.gz IZWFNFDYHNLKOI-IAGOWNOFSA-N 2 2 283.419 3.135 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414829509 235475980 /nfs/dbraw/zinc/47/59/80/235475980.db2.gz KQYBSPZBWMXQJK-RHSMWYFYSA-N 2 2 254.377 3.080 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000336344017 213192345 /nfs/dbraw/zinc/19/23/45/213192345.db2.gz RDJKPOUEAMWDFZ-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000336344017 213192347 /nfs/dbraw/zinc/19/23/47/213192347.db2.gz RDJKPOUEAMWDFZ-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP C[N@@H+](Cc1ccco1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336729 138345830 /nfs/dbraw/zinc/34/58/30/138345830.db2.gz KTKUMMYMSFVQEW-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[N@H+](Cc1ccco1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336729 138345831 /nfs/dbraw/zinc/34/58/31/138345831.db2.gz KTKUMMYMSFVQEW-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccco1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336729 138345833 /nfs/dbraw/zinc/34/58/33/138345833.db2.gz KTKUMMYMSFVQEW-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccco1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336729 138345834 /nfs/dbraw/zinc/34/58/34/138345834.db2.gz KTKUMMYMSFVQEW-QGZVFWFLSA-N 2 2 284.403 3.234 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123533235 138368092 /nfs/dbraw/zinc/36/80/92/138368092.db2.gz BUFVZHZLTZHGEQ-MRXNPFEDSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123533235 138368093 /nfs/dbraw/zinc/36/80/93/138368093.db2.gz BUFVZHZLTZHGEQ-MRXNPFEDSA-N 2 2 283.419 3.183 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000124553533 138376500 /nfs/dbraw/zinc/37/65/00/138376500.db2.gz XCWXJMZUQUWGJE-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000124553533 138376501 /nfs/dbraw/zinc/37/65/01/138376501.db2.gz XCWXJMZUQUWGJE-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000125219006 138380889 /nfs/dbraw/zinc/38/08/89/138380889.db2.gz FDMPRUZJBLWFDF-AWEZNQCLSA-N 2 2 255.365 3.104 20 0 CGADLP CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000125219006 138380890 /nfs/dbraw/zinc/38/08/90/138380890.db2.gz FDMPRUZJBLWFDF-AWEZNQCLSA-N 2 2 255.365 3.104 20 0 CGADLP Cc1oncc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000129938450 138398759 /nfs/dbraw/zinc/39/87/59/138398759.db2.gz XAKKHQAZALPPIV-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422707591 235906250 /nfs/dbraw/zinc/90/62/50/235906250.db2.gz ANEVNGLFCZXQFL-AFAVFJNCSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423233969 236004845 /nfs/dbraw/zinc/00/48/45/236004845.db2.gz FDYJOLBQKHASRN-WMLDXEAASA-N 2 2 254.377 3.346 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000423251089 236008681 /nfs/dbraw/zinc/00/86/81/236008681.db2.gz VYXQDCQHUYYCRN-SJORKVTESA-N 2 2 270.351 3.103 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc21 ZINC000423282279 236022856 /nfs/dbraw/zinc/02/28/56/236022856.db2.gz VSFCGXKJAUGDKF-DGCLKSJQSA-N 2 2 276.380 3.075 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423321126 236038227 /nfs/dbraw/zinc/03/82/27/236038227.db2.gz MTZPXCYZBNXSGV-SMDDNHRTSA-N 2 2 258.365 3.129 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1F ZINC000423392383 236061485 /nfs/dbraw/zinc/06/14/85/236061485.db2.gz QJEIPQQXPYIZAQ-BLLLJJGKSA-N 2 2 294.414 3.263 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423379848 236056518 /nfs/dbraw/zinc/05/65/18/236056518.db2.gz XXNWIUXLUIWBPQ-YOEHRIQHSA-N 2 2 254.377 3.021 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cs1 ZINC000423497604 236087564 /nfs/dbraw/zinc/08/75/64/236087564.db2.gz AHIIFZGJUWTUNI-RRQGHBQHSA-N 2 2 286.444 3.463 20 0 CGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@H+]3[C@H](C)CCC[C@@H]3C)C[C@H]2C1 ZINC000424312435 236145888 /nfs/dbraw/zinc/14/58/88/236145888.db2.gz MLCLHNBNVWXHHF-HKCPWHJYSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@@H+]3[C@H](C)CCC[C@@H]3C)C[C@H]2C1 ZINC000424312435 236145889 /nfs/dbraw/zinc/14/58/89/236145889.db2.gz MLCLHNBNVWXHHF-HKCPWHJYSA-N 2 2 294.483 3.043 20 0 CGADLP COC1(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000294539493 199078627 /nfs/dbraw/zinc/07/86/27/199078627.db2.gz KFIIVDRBHCBWJK-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCC2)o1 ZINC000427872788 236351617 /nfs/dbraw/zinc/35/16/17/236351617.db2.gz DFJONGWISPSCHC-PBHICJAKSA-N 2 2 285.391 3.230 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000428383428 236399092 /nfs/dbraw/zinc/39/90/92/236399092.db2.gz LUDYYBJFRLOWAV-CYBMUJFWSA-N 2 2 288.395 3.209 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000428383428 236399095 /nfs/dbraw/zinc/39/90/95/236399095.db2.gz LUDYYBJFRLOWAV-CYBMUJFWSA-N 2 2 288.395 3.209 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000482164632 535432123 /nfs/dbraw/zinc/43/21/23/535432123.db2.gz PDSDSGNVKXRTTA-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000482164632 535432124 /nfs/dbraw/zinc/43/21/24/535432124.db2.gz PDSDSGNVKXRTTA-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000482164632 535432127 /nfs/dbraw/zinc/43/21/27/535432127.db2.gz PDSDSGNVKXRTTA-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000482164632 535432130 /nfs/dbraw/zinc/43/21/30/535432130.db2.gz PDSDSGNVKXRTTA-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP COCC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000294944112 199263479 /nfs/dbraw/zinc/26/34/79/199263479.db2.gz DYWODTVGGQATMV-UHFFFAOYSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000298089987 200331925 /nfs/dbraw/zinc/33/19/25/200331925.db2.gz MOGMREPLNRTZEW-RKVPGOIHSA-N 2 2 283.419 3.229 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000298089987 200331927 /nfs/dbraw/zinc/33/19/27/200331927.db2.gz MOGMREPLNRTZEW-RKVPGOIHSA-N 2 2 283.419 3.229 20 0 CGADLP CC1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000176988539 189019674 /nfs/dbraw/zinc/01/96/74/189019674.db2.gz DGLTWYPNJCXQRF-UHFFFAOYSA-N 2 2 284.407 3.278 20 0 CGADLP CC1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000176988539 189019675 /nfs/dbraw/zinc/01/96/75/189019675.db2.gz DGLTWYPNJCXQRF-UHFFFAOYSA-N 2 2 284.407 3.278 20 0 CGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341895200 216142577 /nfs/dbraw/zinc/14/25/77/216142577.db2.gz NQVYEWFODUHTMY-QGPMSJSTSA-N 2 2 299.418 3.338 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cccnc21 ZINC000177331922 189044420 /nfs/dbraw/zinc/04/44/20/189044420.db2.gz LUNRWIPUBTXWFL-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cccnc21 ZINC000177331922 189044421 /nfs/dbraw/zinc/04/44/21/189044421.db2.gz LUNRWIPUBTXWFL-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cccnc21 ZINC000177331922 189044422 /nfs/dbraw/zinc/04/44/22/189044422.db2.gz LUNRWIPUBTXWFL-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cccnc21 ZINC000177331922 189044423 /nfs/dbraw/zinc/04/44/23/189044423.db2.gz LUNRWIPUBTXWFL-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCCCCCC3)cn2)c[nH+]1 ZINC000177228469 189038295 /nfs/dbraw/zinc/03/82/95/189038295.db2.gz NFURZCZDWJFGTJ-UHFFFAOYSA-N 2 2 270.380 3.033 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000177606470 189059561 /nfs/dbraw/zinc/05/95/61/189059561.db2.gz FWTGKOXQNCOHLC-CQSZACIVSA-N 2 2 285.391 3.243 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000178221212 189099141 /nfs/dbraw/zinc/09/91/41/189099141.db2.gz JJHDYOLHZFIEHA-ZDUSSCGKSA-N 2 2 298.415 3.357 20 0 CGADLP c1cn(-c2cccc(OCCC[NH+]3CCCCC3)c2)c[nH+]1 ZINC000439198121 238239747 /nfs/dbraw/zinc/23/97/47/238239747.db2.gz JLDIEHMWVXGBJX-UHFFFAOYSA-N 2 2 285.391 3.127 20 0 CGADLP Cc1[nH+]cn(Cc2ccccc2Cn2c[nH+]c(C)c2C)c1C ZINC000179322243 189186208 /nfs/dbraw/zinc/18/62/08/189186208.db2.gz NFOUPGXJPLBEEY-UHFFFAOYSA-N 2 2 294.402 3.410 20 0 CGADLP Cc1cccc(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181113203 189289210 /nfs/dbraw/zinc/28/92/10/189289210.db2.gz BWPYJCQJHQEJFT-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1cccc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181113203 189289211 /nfs/dbraw/zinc/28/92/11/189289211.db2.gz BWPYJCQJHQEJFT-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181739465 189305285 /nfs/dbraw/zinc/30/52/85/189305285.db2.gz SESMQXJSMFLUFP-ZBFHGGJFSA-N 2 2 284.407 3.326 20 0 CGADLP CCCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000182143290 189315263 /nfs/dbraw/zinc/31/52/63/189315263.db2.gz YGEVYVLRHJBMEV-QGZVFWFLSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479710 189325786 /nfs/dbraw/zinc/32/57/86/189325786.db2.gz RHLWCCAHNBZBNF-OIISXLGYSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479710 189325787 /nfs/dbraw/zinc/32/57/87/189325787.db2.gz RHLWCCAHNBZBNF-OIISXLGYSA-N 2 2 296.418 3.278 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000182614773 189329426 /nfs/dbraw/zinc/32/94/26/189329426.db2.gz SCXAHSUOOYDENG-INIZCTEOSA-N 2 2 255.365 3.110 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000182614773 189329427 /nfs/dbraw/zinc/32/94/27/189329427.db2.gz SCXAHSUOOYDENG-INIZCTEOSA-N 2 2 255.365 3.110 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(O)c1 ZINC000183184538 189348826 /nfs/dbraw/zinc/34/88/26/189348826.db2.gz VZLQTEIRLKSWFV-AWEZNQCLSA-N 2 2 273.380 3.062 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1cccc(O)c1 ZINC000183184538 189348827 /nfs/dbraw/zinc/34/88/27/189348827.db2.gz VZLQTEIRLKSWFV-AWEZNQCLSA-N 2 2 273.380 3.062 20 0 CGADLP CCc1cc(NCc2ccc(N(CC)CC)[nH+]c2)nc(C)[nH+]1 ZINC000302047901 201319170 /nfs/dbraw/zinc/31/91/70/201319170.db2.gz LWMWARRRWPDUBF-UHFFFAOYSA-N 2 2 299.422 3.201 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1N(C)Cc1[nH+]ccn1C ZINC000302058637 201324623 /nfs/dbraw/zinc/32/46/23/201324623.db2.gz RGPUMQXHYITLPX-UHFFFAOYSA-N 2 2 294.402 3.476 20 0 CGADLP COCC1CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000449075675 239161192 /nfs/dbraw/zinc/16/11/92/239161192.db2.gz FXIMISWHVCYWFU-JUVOFCAFSA-N 2 2 282.472 3.044 20 0 CGADLP COCC1CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000449075675 239161195 /nfs/dbraw/zinc/16/11/95/239161195.db2.gz FXIMISWHVCYWFU-JUVOFCAFSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2ccoc21)Cn1cc[nH+]c1 ZINC000449101896 239178907 /nfs/dbraw/zinc/17/89/07/239178907.db2.gz HTYNHWFCFAGOIT-CYBMUJFWSA-N 2 2 269.348 3.055 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183191 239230364 /nfs/dbraw/zinc/23/03/64/239230364.db2.gz DZYJWYGMQIRVLY-BFQNTYOBSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183191 239230372 /nfs/dbraw/zinc/23/03/72/239230372.db2.gz DZYJWYGMQIRVLY-BFQNTYOBSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000449369306 239353476 /nfs/dbraw/zinc/35/34/76/239353476.db2.gz BTIPYHGTQWZWIW-XNGJBWTFSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000449369306 239353482 /nfs/dbraw/zinc/35/34/82/239353482.db2.gz BTIPYHGTQWZWIW-XNGJBWTFSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354893 239340974 /nfs/dbraw/zinc/34/09/74/239340974.db2.gz SJUADOKUFFLKHS-UKRRQHHQSA-N 2 2 282.378 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354893 239340978 /nfs/dbraw/zinc/34/09/78/239340978.db2.gz SJUADOKUFFLKHS-UKRRQHHQSA-N 2 2 282.378 3.457 20 0 CGADLP c1coc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120032197 370733273 /nfs/dbraw/zinc/73/32/73/370733273.db2.gz SJGMIDUPIHTXIF-CQSZACIVSA-N 2 2 290.432 3.343 20 0 CGADLP c1coc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120032197 370733277 /nfs/dbraw/zinc/73/32/77/370733277.db2.gz SJGMIDUPIHTXIF-CQSZACIVSA-N 2 2 290.432 3.343 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120237078 370751216 /nfs/dbraw/zinc/75/12/16/370751216.db2.gz PDYZPSGZQDUNJY-VXLLPVPCSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000120237078 370751223 /nfs/dbraw/zinc/75/12/23/370751223.db2.gz PDYZPSGZQDUNJY-VXLLPVPCSA-N 2 2 284.447 3.456 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@@H+]1C ZINC000453193928 291309598 /nfs/dbraw/zinc/30/95/98/291309598.db2.gz NKRBDOPMOLERNQ-KBXCAEBGSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@H+]1C ZINC000453193928 291309603 /nfs/dbraw/zinc/30/96/03/291309603.db2.gz NKRBDOPMOLERNQ-KBXCAEBGSA-N 2 2 272.436 3.006 20 0 CGADLP CCc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275477884 193054465 /nfs/dbraw/zinc/05/44/65/193054465.db2.gz MXAYYGMHXHXTDT-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000353226906 219974127 /nfs/dbraw/zinc/97/41/27/219974127.db2.gz HFBWSLULJQAEQL-HNNXBMFYSA-N 2 2 290.451 3.035 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000353226906 219974129 /nfs/dbraw/zinc/97/41/29/219974129.db2.gz HFBWSLULJQAEQL-HNNXBMFYSA-N 2 2 290.451 3.035 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1C ZINC000459308087 242063460 /nfs/dbraw/zinc/06/34/60/242063460.db2.gz RWQRRWONTWJKQW-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1C ZINC000459308087 242063464 /nfs/dbraw/zinc/06/34/64/242063464.db2.gz RWQRRWONTWJKQW-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000459321610 242071599 /nfs/dbraw/zinc/07/15/99/242071599.db2.gz GAVUREFWDJPVJV-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1cccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000459321610 242071603 /nfs/dbraw/zinc/07/16/03/242071603.db2.gz GAVUREFWDJPVJV-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000459366432 242090688 /nfs/dbraw/zinc/09/06/88/242090688.db2.gz NCHYZOQXJGURGG-LBPRGKRZSA-N 2 2 296.817 3.361 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000459366432 242090691 /nfs/dbraw/zinc/09/06/91/242090691.db2.gz NCHYZOQXJGURGG-LBPRGKRZSA-N 2 2 296.817 3.361 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459657434 242164258 /nfs/dbraw/zinc/16/42/58/242164258.db2.gz HYAHJOKNSAHHTQ-CQSZACIVSA-N 2 2 263.429 3.301 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000459672731 242172897 /nfs/dbraw/zinc/17/28/97/242172897.db2.gz YCJIPLDFCIDNAJ-IRXDYDNUSA-N 2 2 287.382 3.028 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000459672729 242174267 /nfs/dbraw/zinc/17/42/67/242174267.db2.gz YCJIPLDFCIDNAJ-DLBZAZTESA-N 2 2 287.382 3.028 20 0 CGADLP FC(F)C1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000459716505 242189180 /nfs/dbraw/zinc/18/91/80/242189180.db2.gz SGUUDIQLNURSOS-UHFFFAOYSA-N 2 2 279.334 3.248 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@]3(C)CC=CCC3)c[nH+]c12 ZINC000459742206 242205324 /nfs/dbraw/zinc/20/53/24/242205324.db2.gz BNSKTNLMFCWMCF-INIZCTEOSA-N 2 2 255.365 3.231 20 0 CGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+](C)C ZINC000462824830 242366517 /nfs/dbraw/zinc/36/65/17/242366517.db2.gz ZHQAIFUZYBKYGB-CQSZACIVSA-N 2 2 287.451 3.375 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC[C@H]1C ZINC000462834808 242368633 /nfs/dbraw/zinc/36/86/33/242368633.db2.gz AOXVYXSBCISERT-KNCCTNLNSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2CCC[C@H]1C ZINC000462834808 242368637 /nfs/dbraw/zinc/36/86/37/242368637.db2.gz AOXVYXSBCISERT-KNCCTNLNSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480621538 243158565 /nfs/dbraw/zinc/15/85/65/243158565.db2.gz FJWCLUBLTNNJDD-VQIMIIECSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480621538 243158571 /nfs/dbraw/zinc/15/85/71/243158571.db2.gz FJWCLUBLTNNJDD-VQIMIIECSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2c1cccc2C)[NH+]1CCCC1 ZINC000480794930 243165194 /nfs/dbraw/zinc/16/51/94/243165194.db2.gz LEHFYOKJBDRWGJ-QAPCUYQASA-N 2 2 272.436 3.446 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](COC)C(C)C)[NH+](C)C)cc1 ZINC000479850640 243127934 /nfs/dbraw/zinc/12/79/34/243127934.db2.gz INNOJKWECDSJDH-ZWKOTPCHSA-N 2 2 292.467 3.112 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C2CC2)cc1 ZINC000479876746 243129515 /nfs/dbraw/zinc/12/95/15/243129515.db2.gz USKGLYXKSQABSG-QGZVFWFLSA-N 2 2 274.452 3.246 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000481582269 243197710 /nfs/dbraw/zinc/19/77/10/243197710.db2.gz NUIZKGBZOZPPNN-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000481582269 243197713 /nfs/dbraw/zinc/19/77/13/243197713.db2.gz NUIZKGBZOZPPNN-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482951004 243253209 /nfs/dbraw/zinc/25/32/09/243253209.db2.gz AKZZGOVZZHSZGY-SFHVURJKSA-N 2 2 274.452 3.329 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000482951004 243253214 /nfs/dbraw/zinc/25/32/14/243253214.db2.gz AKZZGOVZZHSZGY-SFHVURJKSA-N 2 2 274.452 3.329 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)c2ccccc12 ZINC000482510774 243229159 /nfs/dbraw/zinc/22/91/59/243229159.db2.gz MRSKFXUHSKSCQF-UONOGXRCSA-N 2 2 286.419 3.449 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1CC1(C)C ZINC000486959310 243386947 /nfs/dbraw/zinc/38/69/47/243386947.db2.gz VNIWNWDGSXGJFU-KGLIPLIRSA-N 2 2 261.413 3.298 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000019913080 368781360 /nfs/dbraw/zinc/78/13/60/368781360.db2.gz WYKPIDGQYBTVBI-KBPBESRZSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000019913080 368781364 /nfs/dbraw/zinc/78/13/64/368781364.db2.gz WYKPIDGQYBTVBI-KBPBESRZSA-N 2 2 250.386 3.195 20 0 CGADLP Clc1cccc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000036845750 369033161 /nfs/dbraw/zinc/03/31/61/369033161.db2.gz RMZNUGCYPXLQPW-UHFFFAOYSA-N 2 2 289.810 3.462 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036843311 369033732 /nfs/dbraw/zinc/03/37/32/369033732.db2.gz GVQQXFWKCFHVBE-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932127 369040407 /nfs/dbraw/zinc/04/04/07/369040407.db2.gz WLMUPYWSSHPSNH-UONOGXRCSA-N 2 2 261.413 3.075 20 0 CGADLP c1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000034991926 368986917 /nfs/dbraw/zinc/98/69/17/368986917.db2.gz JBPJALYYUKLNKY-UHFFFAOYSA-N 2 2 269.373 3.224 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]CC[NH+]1CCCC1 ZINC000035017926 368990823 /nfs/dbraw/zinc/99/08/23/368990823.db2.gz ANQNFWMPSLIUEL-UHFFFAOYSA-N 2 2 272.392 3.181 20 0 CGADLP Clc1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000035046311 368993137 /nfs/dbraw/zinc/99/31/37/368993137.db2.gz BBNPDROZDBQHOE-INIZCTEOSA-N 2 2 278.827 3.477 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccccc21 ZINC000037157322 369072101 /nfs/dbraw/zinc/07/21/01/369072101.db2.gz NMPGQHWLGCQEQE-OCCSQVGLSA-N 2 2 273.405 3.098 20 0 CGADLP c1ccc([C@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037228696 369076587 /nfs/dbraw/zinc/07/65/87/369076587.db2.gz DSCVGUHDFTUEHC-QZTJIDSGSA-N 2 2 272.436 3.398 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(F)c1 ZINC000037229306 369078833 /nfs/dbraw/zinc/07/88/33/369078833.db2.gz RIBNGNZHKHWWTK-CQSZACIVSA-N 2 2 294.414 3.361 20 0 CGADLP Clc1cccc(C2CC([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000041119530 369173982 /nfs/dbraw/zinc/17/39/82/369173982.db2.gz MSTAJAKXBFJISO-UHFFFAOYSA-N 2 2 275.783 3.072 20 0 CGADLP CCCCOCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040506714 369159706 /nfs/dbraw/zinc/15/97/06/369159706.db2.gz UXDIKWIJAUAREE-GOSISDBHSA-N 2 2 290.451 3.057 20 0 CGADLP CCCCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040506714 369159708 /nfs/dbraw/zinc/15/97/08/369159708.db2.gz UXDIKWIJAUAREE-GOSISDBHSA-N 2 2 290.451 3.057 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000042254529 369208644 /nfs/dbraw/zinc/20/86/44/369208644.db2.gz KOWYYSFVKCOWJM-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000042858636 369235920 /nfs/dbraw/zinc/23/59/20/369235920.db2.gz UFYZIWAQULLRAN-CVEARBPZSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494402657 244286351 /nfs/dbraw/zinc/28/63/51/244286351.db2.gz FSOUNXXSLCHNNV-RDJZCZTQSA-N 2 2 283.419 3.056 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000494411416 244286518 /nfs/dbraw/zinc/28/65/18/244286518.db2.gz IXLWFXIMDPCKEW-OAHLLOKOSA-N 2 2 295.386 3.351 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494439648 244290586 /nfs/dbraw/zinc/29/05/86/244290586.db2.gz VCYBBNZOSHDOOP-ZDUSSCGKSA-N 2 2 295.308 3.007 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632005 244307326 /nfs/dbraw/zinc/30/73/26/244307326.db2.gz KWPJONMIFNOHEG-AUUYWEPGSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632005 244307334 /nfs/dbraw/zinc/30/73/34/244307334.db2.gz KWPJONMIFNOHEG-AUUYWEPGSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC(F)F ZINC000045663530 369283959 /nfs/dbraw/zinc/28/39/59/369283959.db2.gz PQLCIZPXPSTSET-GFCCVEGCSA-N 2 2 286.366 3.280 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@H]1C ZINC000494890420 244328624 /nfs/dbraw/zinc/32/86/24/244328624.db2.gz FIKBSVYWPAQWDE-VNHYZAJKSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1cc(Br)ccc1C[NH2+]CC[NH2+]C(C)(C)C ZINC000228728181 189794715 /nfs/dbraw/zinc/79/47/15/189794715.db2.gz MQTDHSWDCWMMBQ-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000054465535 369503207 /nfs/dbraw/zinc/50/32/07/369503207.db2.gz SYAXAQZHYQZVKD-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000054465535 369503212 /nfs/dbraw/zinc/50/32/12/369503212.db2.gz SYAXAQZHYQZVKD-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP c1cn(-c2ccc(C[NH2+]Cc3ccsc3)cc2)c[nH+]1 ZINC000059490694 369580324 /nfs/dbraw/zinc/58/03/24/369580324.db2.gz ONINGUBAMPIRDN-UHFFFAOYSA-N 2 2 269.373 3.224 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCCCn1cc[nH+]c1 ZINC000063105672 369640746 /nfs/dbraw/zinc/64/07/46/369640746.db2.gz OPNQEJFKVIKVMI-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918058 296148961 /nfs/dbraw/zinc/14/89/61/296148961.db2.gz HGRNQGPQAMBRRW-SUNKGSAMSA-N 2 2 286.341 3.497 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000537747083 376198858 /nfs/dbraw/zinc/19/88/58/376198858.db2.gz AFWAJWSQGZRJKK-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000537747083 376198861 /nfs/dbraw/zinc/19/88/61/376198861.db2.gz AFWAJWSQGZRJKK-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP CC[N@H+](CC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108760 369930499 /nfs/dbraw/zinc/93/04/99/369930499.db2.gz BKMBDLBKAAFECU-UHFFFAOYSA-N 2 2 275.440 3.276 20 0 CGADLP CC[N@@H+](CC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108760 369930504 /nfs/dbraw/zinc/93/05/04/369930504.db2.gz BKMBDLBKAAFECU-UHFFFAOYSA-N 2 2 275.440 3.276 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000086869448 370023402 /nfs/dbraw/zinc/02/34/02/370023402.db2.gz QZUQXSOSWYJZCX-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1nccs1 ZINC000093396978 370121444 /nfs/dbraw/zinc/12/14/44/370121444.db2.gz CHMLYJBXOPIEFU-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP CC(C)c1nc(NCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000110266136 370374810 /nfs/dbraw/zinc/37/48/10/370374810.db2.gz MOAMMCOMTDMOTO-UHFFFAOYSA-N 2 2 284.407 3.144 20 0 CGADLP CC(C)c1nc(NCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000110266136 370374817 /nfs/dbraw/zinc/37/48/17/370374817.db2.gz MOAMMCOMTDMOTO-UHFFFAOYSA-N 2 2 284.407 3.144 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000511957599 245010869 /nfs/dbraw/zinc/01/08/69/245010869.db2.gz YBGKMPGTVHGRRJ-IHWYPQMZSA-N 2 2 292.373 3.220 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000511957599 245010871 /nfs/dbraw/zinc/01/08/71/245010871.db2.gz YBGKMPGTVHGRRJ-IHWYPQMZSA-N 2 2 292.373 3.220 20 0 CGADLP CC(C)OCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480973 370502901 /nfs/dbraw/zinc/50/29/01/370502901.db2.gz XEIOHROJLXSTMX-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP CC(C)OCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480973 370502904 /nfs/dbraw/zinc/50/29/04/370502904.db2.gz XEIOHROJLXSTMX-UHFFFAOYSA-N 2 2 290.451 3.008 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000277327776 193622116 /nfs/dbraw/zinc/62/21/16/193622116.db2.gz UCMUWLFXECPICR-HUUCEWRRSA-N 2 2 278.465 3.442 20 0 CGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000130743215 371055373 /nfs/dbraw/zinc/05/53/73/371055373.db2.gz YSNZCLZMWBEHAA-RDTXWAMCSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000130743215 371055377 /nfs/dbraw/zinc/05/53/77/371055377.db2.gz YSNZCLZMWBEHAA-RDTXWAMCSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236280 371160580 /nfs/dbraw/zinc/16/05/80/371160580.db2.gz LJMJFRWZUONTDN-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236280 371160586 /nfs/dbraw/zinc/16/05/86/371160586.db2.gz LJMJFRWZUONTDN-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP CC[C@@H](C)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000133571391 371263594 /nfs/dbraw/zinc/26/35/94/371263594.db2.gz ZDMFCZKAUBIZLG-CYBMUJFWSA-N 2 2 259.397 3.142 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@@H]21 ZINC000133570204 371263661 /nfs/dbraw/zinc/26/36/61/371263661.db2.gz PZPXCGAYLHDSDG-AAEUAGOBSA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@@H]21 ZINC000133570204 371263670 /nfs/dbraw/zinc/26/36/70/371263670.db2.gz PZPXCGAYLHDSDG-AAEUAGOBSA-N 2 2 299.340 3.021 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000135828405 371450159 /nfs/dbraw/zinc/45/01/59/371450159.db2.gz WVKIZRNLZYONOO-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCCC1)CC2 ZINC000149516855 371529443 /nfs/dbraw/zinc/52/94/43/371529443.db2.gz PBUHZZVBHSLWSI-KRWDZBQOSA-N 2 2 258.409 3.058 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000150893261 371545565 /nfs/dbraw/zinc/54/55/65/371545565.db2.gz WEJAZTAQLZSVNM-OLZOCXBDSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000151669180 371624276 /nfs/dbraw/zinc/62/42/76/371624276.db2.gz CQQAIZDSIUNVPT-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421822889 371645127 /nfs/dbraw/zinc/64/51/27/371645127.db2.gz YGQSDLSJUWPIMT-GFCCVEGCSA-N 2 2 281.831 3.260 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421825028 371647711 /nfs/dbraw/zinc/64/77/11/371647711.db2.gz LIYBRUJCGAMGIP-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421825028 371647716 /nfs/dbraw/zinc/64/77/16/371647716.db2.gz LIYBRUJCGAMGIP-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422707679 371761937 /nfs/dbraw/zinc/76/19/37/371761937.db2.gz ANEVNGLFCZXQFL-JCURWCKSSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)cc2c1C ZINC000422720269 371767531 /nfs/dbraw/zinc/76/75/31/371767531.db2.gz MKFHBNUWJJPBBT-WMLDXEAASA-N 2 2 285.435 3.405 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1F ZINC000422736519 371774344 /nfs/dbraw/zinc/77/43/44/371774344.db2.gz GKXLKZTZXXKUSR-SJCJKPOMSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000422742107 371779516 /nfs/dbraw/zinc/77/95/16/371779516.db2.gz PKKSYGCVXLLDDO-PBHICJAKSA-N 2 2 285.435 3.323 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422752639 371783712 /nfs/dbraw/zinc/78/37/12/371783712.db2.gz CUCVJCKSZAQCLI-ZACQAIPSSA-N 3 2 289.467 3.087 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1c[nH+]ccc1N ZINC000422761405 371788967 /nfs/dbraw/zinc/78/89/67/371788967.db2.gz HQFNDVJANZBIIC-CYBMUJFWSA-N 2 2 297.402 3.134 20 0 CGADLP C[C@H]([NH2+]CCSc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422774200 371797237 /nfs/dbraw/zinc/79/72/37/371797237.db2.gz WBQCBEZXUNKWKZ-SMDDNHRTSA-N 2 2 284.856 3.162 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc2cccnc12 ZINC000344079185 217043221 /nfs/dbraw/zinc/04/32/21/217043221.db2.gz ZGJZRXVCCMVYRB-AWEZNQCLSA-N 2 2 294.402 3.166 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000289900986 371848261 /nfs/dbraw/zinc/84/82/61/371848261.db2.gz XMPKQPQEZHHFSI-KRWDZBQOSA-N 2 2 288.435 3.262 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000422945365 371885309 /nfs/dbraw/zinc/88/53/09/371885309.db2.gz UGYNPZMLEYVWHS-SNVBAGLBSA-N 2 2 291.782 3.007 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422883684 371853302 /nfs/dbraw/zinc/85/33/02/371853302.db2.gz VKAWUVHTNFUZBQ-HZPDHXFCSA-N 2 2 285.391 3.091 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCO2 ZINC000154581171 371857767 /nfs/dbraw/zinc/85/77/67/371857767.db2.gz WPHUNZCRVKDJLC-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCO2 ZINC000154581171 371857773 /nfs/dbraw/zinc/85/77/73/371857773.db2.gz WPHUNZCRVKDJLC-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1Br ZINC000422894165 371859880 /nfs/dbraw/zinc/85/98/80/371859880.db2.gz SLKLBEWGAFUNIK-AWEZNQCLSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000289967965 371865062 /nfs/dbraw/zinc/86/50/62/371865062.db2.gz BPLFOGJJMMPMFT-UHFFFAOYSA-N 3 2 291.483 3.421 20 0 CGADLP C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1c[nH+]ccc1N ZINC000422922096 371871495 /nfs/dbraw/zinc/87/14/95/371871495.db2.gz RYLVCLHLXANHIB-ZDUSSCGKSA-N 2 2 297.406 3.053 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422933518 371878122 /nfs/dbraw/zinc/87/81/22/371878122.db2.gz DQXQTABVFSUOIV-IUODEOHRSA-N 2 2 278.827 3.449 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078086 217039216 /nfs/dbraw/zinc/03/92/16/217039216.db2.gz XBXYHBAQJCKEDY-KSSFIOAISA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078086 217039220 /nfs/dbraw/zinc/03/92/20/217039220.db2.gz XBXYHBAQJCKEDY-KSSFIOAISA-N 2 2 299.418 3.283 20 0 CGADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422958649 371891314 /nfs/dbraw/zinc/89/13/14/371891314.db2.gz YMSSNJLDZHSAPR-KSZLIROESA-N 2 2 282.387 3.109 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000422960013 371893794 /nfs/dbraw/zinc/89/37/94/371893794.db2.gz VEBCQPFUFBNANT-RYUDHWBXSA-N 2 2 287.432 3.069 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCC[NH2+]1 ZINC000422977502 371898933 /nfs/dbraw/zinc/89/89/33/371898933.db2.gz WYFWCELXQYVHGR-CJNGLKHVSA-N 2 2 270.376 3.177 20 0 CGADLP CCCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423017483 371918552 /nfs/dbraw/zinc/91/85/52/371918552.db2.gz OXZIZKUKPCCQGS-ROUUACIJSA-N 2 2 298.434 3.226 20 0 CGADLP C[C@@H](CCC[NH3+])[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000423041554 371930022 /nfs/dbraw/zinc/93/00/22/371930022.db2.gz JLONOKUJFPBWDS-VHSXEESVSA-N 2 2 254.340 3.071 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423156511 371994247 /nfs/dbraw/zinc/99/42/47/371994247.db2.gz SQXFYGUALHOCAN-USXIJHARSA-N 2 2 298.434 3.047 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344147406 217072552 /nfs/dbraw/zinc/07/25/52/217072552.db2.gz WXSXFFGCCGVQMK-LRDDRELGSA-N 2 2 273.355 3.078 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192112 372017853 /nfs/dbraw/zinc/01/78/53/372017853.db2.gz PJJGBDYLOLRCDF-QWHCGFSZSA-N 2 2 272.392 3.398 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000423200886 372024757 /nfs/dbraw/zinc/02/47/57/372024757.db2.gz GUGVYYQCCGRPPX-RISCZKNCSA-N 2 2 285.218 3.396 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423201325 372024935 /nfs/dbraw/zinc/02/49/35/372024935.db2.gz IEDJYQUFRLQISX-QPUJVOFHSA-N 2 2 259.180 3.006 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000423200885 372025032 /nfs/dbraw/zinc/02/50/32/372025032.db2.gz GUGVYYQCCGRPPX-FZMZJTMJSA-N 2 2 285.218 3.396 20 0 CGADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423204998 372028950 /nfs/dbraw/zinc/02/89/50/372028950.db2.gz BGEIRQWHUCYBLD-GJZGRUSLSA-N 2 2 264.800 3.133 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423209001 372032170 /nfs/dbraw/zinc/03/21/70/372032170.db2.gz ZKSYQVQDOLSJNB-LLVKDONJSA-N 2 2 293.411 3.209 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423400242 372060901 /nfs/dbraw/zinc/06/09/01/372060901.db2.gz WXQBHQDBPZRJIE-DMDPSCGWSA-N 2 2 252.427 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242487 372041871 /nfs/dbraw/zinc/04/18/71/372041871.db2.gz MAUPMVUMRLYNDW-OCBCSQNSSA-N 2 2 284.378 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000423420321 372061546 /nfs/dbraw/zinc/06/15/46/372061546.db2.gz JICPRRYPYOTTQS-KBXCAEBGSA-N 2 2 266.388 3.224 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423378732 372058715 /nfs/dbraw/zinc/05/87/15/372058715.db2.gz ZRBMTXZFRXTUGM-LYIQGSDWSA-N 2 2 282.478 3.261 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423177965 372006539 /nfs/dbraw/zinc/00/65/39/372006539.db2.gz BJQRXAAMWSNWFF-ZFWWWQNUSA-N 2 2 270.376 3.349 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccsc2S1 ZINC000423184887 372013115 /nfs/dbraw/zinc/01/31/15/372013115.db2.gz IYKLIXOUKMMOAG-JBLDHEPKSA-N 2 2 268.451 3.015 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290873424 372067263 /nfs/dbraw/zinc/06/72/63/372067263.db2.gz LMCWDGMSLZDUSE-UHFFFAOYSA-N 2 2 290.238 3.210 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423505674 372070833 /nfs/dbraw/zinc/07/08/33/372070833.db2.gz ORTWUKBLSQUZSI-OIISXLGYSA-N 2 2 278.415 3.367 20 0 CGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000344222974 217106614 /nfs/dbraw/zinc/10/66/14/217106614.db2.gz MSVQLNHAJMSLHZ-MRXNPFEDSA-N 2 2 296.842 3.103 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000040671831 541867718 /nfs/dbraw/zinc/86/77/18/541867718.db2.gz UKSBGEQSNYUBRE-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000040671831 541867722 /nfs/dbraw/zinc/86/77/22/541867722.db2.gz UKSBGEQSNYUBRE-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672199 541868687 /nfs/dbraw/zinc/86/86/87/541868687.db2.gz XAKKDOQFWXIGGH-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427873315 372177481 /nfs/dbraw/zinc/17/74/81/372177481.db2.gz FGQRATAHHOQFTF-IRXDYDNUSA-N 2 2 283.419 3.055 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672415 541867961 /nfs/dbraw/zinc/86/79/61/541867961.db2.gz LVDNVCNIXGMNAA-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672415 541867963 /nfs/dbraw/zinc/86/79/63/541867963.db2.gz LVDNVCNIXGMNAA-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672199 541868690 /nfs/dbraw/zinc/86/86/90/541868690.db2.gz XAKKDOQFWXIGGH-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159313992 372130614 /nfs/dbraw/zinc/13/06/14/372130614.db2.gz LHBKUPAXFSUBPX-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159313992 372130619 /nfs/dbraw/zinc/13/06/19/372130619.db2.gz LHBKUPAXFSUBPX-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672416 541868830 /nfs/dbraw/zinc/86/88/30/541868830.db2.gz LVDNVCNIXGMNAA-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC000040672416 541868832 /nfs/dbraw/zinc/86/88/32/541868832.db2.gz LVDNVCNIXGMNAA-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672228 541868893 /nfs/dbraw/zinc/86/88/93/541868893.db2.gz RKTPKVVYPYVYQR-WMLDXEAASA-N 2 2 260.425 3.384 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672228 541868895 /nfs/dbraw/zinc/86/88/95/541868895.db2.gz RKTPKVVYPYVYQR-WMLDXEAASA-N 2 2 260.425 3.384 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)[C@H](C)[C@H]1OC ZINC000344302004 217140478 /nfs/dbraw/zinc/14/04/78/217140478.db2.gz VKHBEPXNTALOTR-USXIJHARSA-N 2 2 290.451 3.362 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344323610 217150357 /nfs/dbraw/zinc/15/03/57/217150357.db2.gz IRXNUPQDDOQOEE-YOEHRIQHSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344323610 217150358 /nfs/dbraw/zinc/15/03/58/217150358.db2.gz IRXNUPQDDOQOEE-YOEHRIQHSA-N 2 2 276.424 3.048 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCCCS3)c2)c[nH+]1 ZINC000344329050 217153438 /nfs/dbraw/zinc/15/34/38/217153438.db2.gz SCHMGEPLAFIENI-CYBMUJFWSA-N 2 2 293.461 3.309 20 0 CGADLP C[C@H](C1CC1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162320296 372387239 /nfs/dbraw/zinc/38/72/39/372387239.db2.gz PJUHEECPVZYZFO-OAHLLOKOSA-N 2 2 269.392 3.184 20 0 CGADLP C[C@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162320296 372387247 /nfs/dbraw/zinc/38/72/47/372387247.db2.gz PJUHEECPVZYZFO-OAHLLOKOSA-N 2 2 269.392 3.184 20 0 CGADLP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(O)c1Cl ZINC000293483912 372393765 /nfs/dbraw/zinc/39/37/65/372393765.db2.gz GBRUVCUXESDHTK-UHFFFAOYSA-N 2 2 293.798 3.121 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)ccc1Cl ZINC000344341231 217158479 /nfs/dbraw/zinc/15/84/79/217158479.db2.gz BRYJGKWSEYVMCL-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1Cl ZINC000344341231 217158481 /nfs/dbraw/zinc/15/84/81/217158481.db2.gz BRYJGKWSEYVMCL-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939886 372408886 /nfs/dbraw/zinc/40/88/86/372408886.db2.gz MSYYDLSEEYMWFQ-IPYPFGDCSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939886 372408889 /nfs/dbraw/zinc/40/88/89/372408889.db2.gz MSYYDLSEEYMWFQ-IPYPFGDCSA-N 2 2 285.391 3.072 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](CO)C1CCCCC1 ZINC000293554055 372409337 /nfs/dbraw/zinc/40/93/37/372409337.db2.gz FHMKMWDMIDIGEB-GOSISDBHSA-N 2 2 290.451 3.101 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429425378 372363953 /nfs/dbraw/zinc/36/39/53/372363953.db2.gz DTUBAMQZFRZWRE-BPQIPLTHSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429425378 372363963 /nfs/dbraw/zinc/36/39/63/372363963.db2.gz DTUBAMQZFRZWRE-BPQIPLTHSA-N 2 2 299.462 3.214 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163793339 372493211 /nfs/dbraw/zinc/49/32/11/372493211.db2.gz CDLGHGWWMQEYFW-QGZVFWFLSA-N 2 2 281.403 3.469 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000168750774 372619384 /nfs/dbraw/zinc/61/93/84/372619384.db2.gz ICVKECKWJUMXRW-QGZVFWFLSA-N 2 2 276.399 3.493 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2cccn2C)c[nH+]1 ZINC000353380663 220054070 /nfs/dbraw/zinc/05/40/70/220054070.db2.gz KMUTYCBHIIBYQL-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2c2cccn2C)c[nH+]1 ZINC000353380663 220054073 /nfs/dbraw/zinc/05/40/73/220054073.db2.gz KMUTYCBHIIBYQL-GOSISDBHSA-N 2 2 283.419 3.498 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCCCOc3ccccc3)CC2)[nH+]1 ZINC000434979768 372719866 /nfs/dbraw/zinc/71/98/66/372719866.db2.gz WVQNANPVZGNVHT-UHFFFAOYSA-N 2 2 299.418 3.448 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccccc1Cl ZINC000435002189 372723706 /nfs/dbraw/zinc/72/37/06/372723706.db2.gz ANRKHIHCUKDPCN-CVEARBPZSA-N 2 2 292.854 3.441 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccccc1Cl ZINC000435002189 372723711 /nfs/dbraw/zinc/72/37/11/372723711.db2.gz ANRKHIHCUKDPCN-CVEARBPZSA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1Cl ZINC000435002189 372723714 /nfs/dbraw/zinc/72/37/14/372723714.db2.gz ANRKHIHCUKDPCN-CVEARBPZSA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1Cl ZINC000435002189 372723718 /nfs/dbraw/zinc/72/37/18/372723718.db2.gz ANRKHIHCUKDPCN-CVEARBPZSA-N 2 2 292.854 3.441 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435053995 372732140 /nfs/dbraw/zinc/73/21/40/372732140.db2.gz ZDCJNXCQGIKGCW-ZMSDIMECSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435053995 372732146 /nfs/dbraw/zinc/73/21/46/372732146.db2.gz ZDCJNXCQGIKGCW-ZMSDIMECSA-N 2 2 274.408 3.361 20 0 CGADLP CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435626848 372787703 /nfs/dbraw/zinc/78/77/03/372787703.db2.gz LRGPFENFLBXBLA-CYBMUJFWSA-N 2 2 295.496 3.405 20 0 CGADLP CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435626848 372787713 /nfs/dbraw/zinc/78/77/13/372787713.db2.gz LRGPFENFLBXBLA-CYBMUJFWSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2F)CC1 ZINC000295458436 372789496 /nfs/dbraw/zinc/78/94/96/372789496.db2.gz VTNQDJKWPQMIGS-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2F)CC1 ZINC000295458436 372789504 /nfs/dbraw/zinc/78/95/04/372789504.db2.gz VTNQDJKWPQMIGS-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000435790835 372808779 /nfs/dbraw/zinc/80/87/79/372808779.db2.gz NYQHPLXBHZYPBW-WSMBLCCSSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)[C@@H](C)C1 ZINC000435790835 372808790 /nfs/dbraw/zinc/80/87/90/372808790.db2.gz NYQHPLXBHZYPBW-WSMBLCCSSA-N 2 2 276.399 3.002 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436295515 372832361 /nfs/dbraw/zinc/83/23/61/372832361.db2.gz HJMGECDLSLVKIV-SJLPKXTDSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436295515 372832365 /nfs/dbraw/zinc/83/23/65/372832365.db2.gz HJMGECDLSLVKIV-SJLPKXTDSA-N 2 2 296.499 3.434 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171940194 372860558 /nfs/dbraw/zinc/86/05/58/372860558.db2.gz NHGJTCLGWJIRSC-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171940194 372860565 /nfs/dbraw/zinc/86/05/65/372860565.db2.gz NHGJTCLGWJIRSC-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000344707368 217284247 /nfs/dbraw/zinc/28/42/47/217284247.db2.gz DDTGGQMXKMJLLG-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000344707368 217284249 /nfs/dbraw/zinc/28/42/49/217284249.db2.gz DDTGGQMXKMJLLG-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000344707368 217284251 /nfs/dbraw/zinc/28/42/51/217284251.db2.gz DDTGGQMXKMJLLG-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000344707368 217284254 /nfs/dbraw/zinc/28/42/54/217284254.db2.gz DDTGGQMXKMJLLG-BBRMVZONSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1Cl ZINC000295976049 372981217 /nfs/dbraw/zinc/98/12/17/372981217.db2.gz OIEPICFAEBFSNT-ODWCKFRGSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1Cl ZINC000295976049 372981218 /nfs/dbraw/zinc/98/12/18/372981218.db2.gz OIEPICFAEBFSNT-ODWCKFRGSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344727021 217290737 /nfs/dbraw/zinc/29/07/37/217290737.db2.gz CRDVCTSRKYOBRA-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344727021 217290739 /nfs/dbraw/zinc/29/07/39/217290739.db2.gz CRDVCTSRKYOBRA-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000440693934 372990351 /nfs/dbraw/zinc/99/03/51/372990351.db2.gz NQAXXEHPMQEKJT-XHSDSOJGSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000440693934 372990359 /nfs/dbraw/zinc/99/03/59/372990359.db2.gz NQAXXEHPMQEKJT-XHSDSOJGSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000440693934 372990372 /nfs/dbraw/zinc/99/03/72/372990372.db2.gz NQAXXEHPMQEKJT-XHSDSOJGSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000440693934 372990382 /nfs/dbraw/zinc/99/03/82/372990382.db2.gz NQAXXEHPMQEKJT-XHSDSOJGSA-N 2 2 270.436 3.321 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535122 220141689 /nfs/dbraw/zinc/14/16/89/220141689.db2.gz JZXDKIDGZNGTPA-QZTJIDSGSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535122 220141690 /nfs/dbraw/zinc/14/16/90/220141690.db2.gz JZXDKIDGZNGTPA-QZTJIDSGSA-N 2 2 288.410 3.445 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000344806897 217317145 /nfs/dbraw/zinc/31/71/45/217317145.db2.gz FUTPXTAWCOEEMB-CABCVRRESA-N 2 2 295.496 3.442 20 0 CGADLP CC/C=C/CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540549 220146753 /nfs/dbraw/zinc/14/67/53/220146753.db2.gz DFPYQOQCCUGVIW-AATRIKPKSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C/CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540549 220146755 /nfs/dbraw/zinc/14/67/55/220146755.db2.gz DFPYQOQCCUGVIW-AATRIKPKSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C/CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353540549 220146759 /nfs/dbraw/zinc/14/67/59/220146759.db2.gz DFPYQOQCCUGVIW-AATRIKPKSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C/CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353540549 220146760 /nfs/dbraw/zinc/14/67/60/220146760.db2.gz DFPYQOQCCUGVIW-AATRIKPKSA-N 2 2 264.413 3.390 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000444741996 373256293 /nfs/dbraw/zinc/25/62/93/373256293.db2.gz VQZYKRRLWSCEQS-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CCC[NH+]2CCCCC2)c1 ZINC000444741996 373256299 /nfs/dbraw/zinc/25/62/99/373256299.db2.gz VQZYKRRLWSCEQS-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000445878114 373317410 /nfs/dbraw/zinc/31/74/10/373317410.db2.gz FCMHQROMCBBISW-CYBMUJFWSA-N 2 2 280.378 3.285 20 0 CGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1 ZINC000344937067 217361350 /nfs/dbraw/zinc/36/13/50/217361350.db2.gz YUSSRQRZDSOGQD-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000174629229 373346307 /nfs/dbraw/zinc/34/63/07/373346307.db2.gz LJRYCFIOTCZHDY-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000174629229 373346310 /nfs/dbraw/zinc/34/63/10/373346310.db2.gz LJRYCFIOTCZHDY-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(F)c1 ZINC000446941162 373384484 /nfs/dbraw/zinc/38/44/84/373384484.db2.gz YLRUFJCBZDQBPJ-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(F)c1 ZINC000446941162 373384492 /nfs/dbraw/zinc/38/44/92/373384492.db2.gz YLRUFJCBZDQBPJ-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(F)c1 ZINC000446938806 373385220 /nfs/dbraw/zinc/38/52/20/373385220.db2.gz KBZQYOTYGAHPGW-HZPDHXFCSA-N 2 2 296.455 3.304 20 0 CGADLP CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000447824890 373500711 /nfs/dbraw/zinc/50/07/11/373500711.db2.gz AZRCGEQDQOYTIS-KRWDZBQOSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000447824890 373500717 /nfs/dbraw/zinc/50/07/17/373500717.db2.gz AZRCGEQDQOYTIS-KRWDZBQOSA-N 2 2 299.418 3.119 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448029636 373538869 /nfs/dbraw/zinc/53/88/69/373538869.db2.gz QTKLHRUGXPBDJH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448029636 373538882 /nfs/dbraw/zinc/53/88/82/373538882.db2.gz QTKLHRUGXPBDJH-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2cc(Cl)cn2C)c[nH+]1 ZINC000353647563 220220857 /nfs/dbraw/zinc/22/08/57/220220857.db2.gz HCTDNQRPCTZUKL-UHFFFAOYSA-N 2 2 291.826 3.447 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2cc(Cl)cn2C)c[nH+]1 ZINC000353647563 220220859 /nfs/dbraw/zinc/22/08/59/220220859.db2.gz HCTDNQRPCTZUKL-UHFFFAOYSA-N 2 2 291.826 3.447 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CCNc1[nH]c2ccccc2[nH+]1 ZINC000301083892 373652093 /nfs/dbraw/zinc/65/20/93/373652093.db2.gz VMYMPCBGVIVTPK-ZDUSSCGKSA-N 2 2 272.396 3.239 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CCNc1[nH]c2ccccc2[nH+]1 ZINC000301083892 373652096 /nfs/dbraw/zinc/65/20/96/373652096.db2.gz VMYMPCBGVIVTPK-ZDUSSCGKSA-N 2 2 272.396 3.239 20 0 CGADLP CC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449432013 373709655 /nfs/dbraw/zinc/70/96/55/373709655.db2.gz FIWIZXDFACDDEY-JKSUJKDBSA-N 2 2 287.451 3.466 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(Cl)cc1 ZINC000177326791 373676360 /nfs/dbraw/zinc/67/63/60/373676360.db2.gz UEDHRHMMPZCOGY-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(Cl)cc1 ZINC000177326791 373676366 /nfs/dbraw/zinc/67/63/66/373676366.db2.gz UEDHRHMMPZCOGY-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC000177326791 373676372 /nfs/dbraw/zinc/67/63/72/373676372.db2.gz UEDHRHMMPZCOGY-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000177326791 373676378 /nfs/dbraw/zinc/67/63/78/373676378.db2.gz UEDHRHMMPZCOGY-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000449514283 373813661 /nfs/dbraw/zinc/81/36/61/373813661.db2.gz VQESUVITXCHQAB-MSOLQXFVSA-N 2 2 292.467 3.201 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449495961 373791654 /nfs/dbraw/zinc/79/16/54/373791654.db2.gz PCZPZIFOYNKMTK-LLVKDONJSA-N 2 2 297.374 3.459 20 0 CGADLP COC[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000449773116 373901040 /nfs/dbraw/zinc/90/10/40/373901040.db2.gz HYNLLMWLAHLEPE-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000449773116 373901048 /nfs/dbraw/zinc/90/10/48/373901048.db2.gz HYNLLMWLAHLEPE-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000179963985 373948610 /nfs/dbraw/zinc/94/86/10/373948610.db2.gz OKBZECMPONGNTO-WMLDXEAASA-N 2 2 269.392 3.105 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179994755 373952617 /nfs/dbraw/zinc/95/26/17/373952617.db2.gz CEQBEIGOYUXNRZ-AWEZNQCLSA-N 2 2 294.389 3.418 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179994755 373952625 /nfs/dbraw/zinc/95/26/25/373952625.db2.gz CEQBEIGOYUXNRZ-AWEZNQCLSA-N 2 2 294.389 3.418 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCC3=CCCCC3)CC2)CCO1 ZINC000450285755 374039555 /nfs/dbraw/zinc/03/95/55/374039555.db2.gz MJLFOWHOAHTSHJ-INIZCTEOSA-N 2 2 292.467 3.062 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](CCC3=CCCCC3)CC2)CCO1 ZINC000450285755 374039560 /nfs/dbraw/zinc/03/95/60/374039560.db2.gz MJLFOWHOAHTSHJ-INIZCTEOSA-N 2 2 292.467 3.062 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000450436371 374127676 /nfs/dbraw/zinc/12/76/76/374127676.db2.gz QWFJLULVOBPGCX-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000450436371 374127679 /nfs/dbraw/zinc/12/76/79/374127679.db2.gz QWFJLULVOBPGCX-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000450436371 374127683 /nfs/dbraw/zinc/12/76/83/374127683.db2.gz QWFJLULVOBPGCX-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000450436371 374127687 /nfs/dbraw/zinc/12/76/87/374127687.db2.gz QWFJLULVOBPGCX-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309882092 374201256 /nfs/dbraw/zinc/20/12/56/374201256.db2.gz JVRMTMWZVCKNPD-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309882092 374201260 /nfs/dbraw/zinc/20/12/60/374201260.db2.gz JVRMTMWZVCKNPD-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP CC(C)(C)c1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000182255190 374248080 /nfs/dbraw/zinc/24/80/80/374248080.db2.gz INANWQVGZGPXHW-UHFFFAOYSA-N 2 2 283.419 3.239 20 0 CGADLP CC(C)(C)c1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000182255190 374248086 /nfs/dbraw/zinc/24/80/86/374248086.db2.gz INANWQVGZGPXHW-UHFFFAOYSA-N 2 2 283.419 3.239 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccsc1Cl ZINC000312571963 374285043 /nfs/dbraw/zinc/28/50/43/374285043.db2.gz LHRLIWXYBYNBMZ-LLVKDONJSA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccsc1Cl ZINC000312571963 374285050 /nfs/dbraw/zinc/28/50/50/374285050.db2.gz LHRLIWXYBYNBMZ-LLVKDONJSA-N 2 2 258.818 3.105 20 0 CGADLP COc1cccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182742930 374321627 /nfs/dbraw/zinc/32/16/27/374321627.db2.gz DFKRHGIDSZVCPL-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343467 374363903 /nfs/dbraw/zinc/36/39/03/374363903.db2.gz LOBLDHKNOBPXAF-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343467 374363907 /nfs/dbraw/zinc/36/39/07/374363907.db2.gz LOBLDHKNOBPXAF-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000080339052 541923480 /nfs/dbraw/zinc/92/34/80/541923480.db2.gz HPXIJVNDXUSODI-WMZOPIPTSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000080339052 541923485 /nfs/dbraw/zinc/92/34/85/541923485.db2.gz HPXIJVNDXUSODI-WMZOPIPTSA-N 2 2 295.430 3.224 20 0 CGADLP c1cn(CCC[N@H+](CC2CCCCC2)C2CC2)c[nH+]1 ZINC000183164169 374379933 /nfs/dbraw/zinc/37/99/33/374379933.db2.gz GWBYWRVATZDOLO-UHFFFAOYSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@@H+](CC2CCCCC2)C2CC2)c[nH+]1 ZINC000183164169 374379940 /nfs/dbraw/zinc/37/99/40/374379940.db2.gz GWBYWRVATZDOLO-UHFFFAOYSA-N 2 2 261.413 3.318 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000334244868 206249786 /nfs/dbraw/zinc/24/97/86/206249786.db2.gz SFKMVCORJQSTMI-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1sccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334397670 374715505 /nfs/dbraw/zinc/71/55/05/374715505.db2.gz CVDLSYHLQQQVBI-UHFFFAOYSA-N 2 2 261.394 3.090 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000459438158 374806976 /nfs/dbraw/zinc/80/69/76/374806976.db2.gz ZUONDAZIWRDQBA-NXVRBGIVSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000459438158 374806980 /nfs/dbraw/zinc/80/69/80/374806980.db2.gz ZUONDAZIWRDQBA-NXVRBGIVSA-N 2 2 272.436 3.179 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522746 374818319 /nfs/dbraw/zinc/81/83/19/374818319.db2.gz XZLIANPPNJXNOQ-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522746 374818329 /nfs/dbraw/zinc/81/83/29/374818329.db2.gz XZLIANPPNJXNOQ-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000334540792 374836234 /nfs/dbraw/zinc/83/62/34/374836234.db2.gz LSDQTRUYAPUUKU-JKSUJKDBSA-N 2 2 285.366 3.284 20 0 CGADLP COC1(C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000483286334 375177323 /nfs/dbraw/zinc/17/73/23/375177323.db2.gz QXYNMXDSTUPNDW-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP COC1(C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000483286334 375177332 /nfs/dbraw/zinc/17/73/32/375177332.db2.gz QXYNMXDSTUPNDW-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC1(C)C ZINC000487198265 375207156 /nfs/dbraw/zinc/20/71/56/375207156.db2.gz VORGKYCYZWHIFU-CFVMTHIKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CC1(C)C ZINC000487198265 375207160 /nfs/dbraw/zinc/20/71/60/375207160.db2.gz VORGKYCYZWHIFU-CFVMTHIKSA-N 2 2 250.430 3.028 20 0 CGADLP CCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488029691 375296117 /nfs/dbraw/zinc/29/61/17/375296117.db2.gz XIQIUNZGBGNVDQ-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP CCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488029691 375296120 /nfs/dbraw/zinc/29/61/20/375296120.db2.gz XIQIUNZGBGNVDQ-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000188983177 375304586 /nfs/dbraw/zinc/30/45/86/375304586.db2.gz PAKYESOJRWIZDK-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)[nH+]c1 ZINC000189065981 375318722 /nfs/dbraw/zinc/31/87/22/375318722.db2.gz SHUQFKQJQHGPQB-MRXNPFEDSA-N 2 2 285.435 3.363 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC000335325819 375262652 /nfs/dbraw/zinc/26/26/52/375262652.db2.gz AFXPYPNXVPNKBL-CQSZACIVSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCC3(CCCC3)CC1)CC2 ZINC000335325819 375262658 /nfs/dbraw/zinc/26/26/58/375262658.db2.gz AFXPYPNXVPNKBL-CQSZACIVSA-N 2 2 273.424 3.360 20 0 CGADLP C[C@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)C[NH+](C)C ZINC000491588890 375333670 /nfs/dbraw/zinc/33/36/70/375333670.db2.gz MLDPSNSFJGZQGS-CYBMUJFWSA-N 2 2 289.448 3.097 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])c2ccsc2S1 ZINC000335599203 375334962 /nfs/dbraw/zinc/33/49/62/375334962.db2.gz PCEOODJQBNHPJN-WPRPVWTQSA-N 2 2 256.440 3.000 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002966 375609641 /nfs/dbraw/zinc/60/96/41/375609641.db2.gz LMGNFCDCDMIIID-ONGXEEELSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336002966 375609643 /nfs/dbraw/zinc/60/96/43/375609643.db2.gz LMGNFCDCDMIIID-ONGXEEELSA-N 2 2 293.773 3.410 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@@H]1C ZINC000192035155 375692589 /nfs/dbraw/zinc/69/25/89/375692589.db2.gz XDDKGJGHCFPPAC-AWEZNQCLSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@@H]1C ZINC000192035155 375692594 /nfs/dbraw/zinc/69/25/94/375692594.db2.gz XDDKGJGHCFPPAC-AWEZNQCLSA-N 2 2 287.432 3.118 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000191932810 375680403 /nfs/dbraw/zinc/68/04/03/375680403.db2.gz RLHBIOBOPIMVSC-UHFFFAOYSA-N 2 2 255.365 3.165 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000191932810 375680410 /nfs/dbraw/zinc/68/04/10/375680410.db2.gz RLHBIOBOPIMVSC-UHFFFAOYSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000192131382 375700103 /nfs/dbraw/zinc/70/01/03/375700103.db2.gz VWKPAMIRMWZOFQ-MRXNPFEDSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000192131382 375700110 /nfs/dbraw/zinc/70/01/10/375700110.db2.gz VWKPAMIRMWZOFQ-MRXNPFEDSA-N 2 2 287.432 3.118 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000192566389 375765858 /nfs/dbraw/zinc/76/58/58/375765858.db2.gz IGZMGKUDHMYBDN-YQQAZPJKSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128243758 542051552 /nfs/dbraw/zinc/05/15/52/542051552.db2.gz KWFVQSDTYJNQOV-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000128243758 542051555 /nfs/dbraw/zinc/05/15/55/542051555.db2.gz KWFVQSDTYJNQOV-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000128741216 542053868 /nfs/dbraw/zinc/05/38/68/542053868.db2.gz KPGQCBDITHUGAJ-OFQRWUPVSA-N 2 2 288.435 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000128741216 542053870 /nfs/dbraw/zinc/05/38/70/542053870.db2.gz KPGQCBDITHUGAJ-OFQRWUPVSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+](C)C ZINC000336738890 375927368 /nfs/dbraw/zinc/92/73/68/375927368.db2.gz KQUHTWPXSHENOF-MRVPVSSYSA-N 2 2 281.252 3.342 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800924 375949586 /nfs/dbraw/zinc/94/95/86/375949586.db2.gz OFCWQSDMNWNQIC-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800924 375949590 /nfs/dbraw/zinc/94/95/90/375949590.db2.gz OFCWQSDMNWNQIC-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800924 375949595 /nfs/dbraw/zinc/94/95/95/375949595.db2.gz OFCWQSDMNWNQIC-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800924 375949599 /nfs/dbraw/zinc/94/95/99/375949599.db2.gz OFCWQSDMNWNQIC-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP Clc1ccsc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000194409974 376001207 /nfs/dbraw/zinc/00/12/07/376001207.db2.gz HEXOYTANHDQLKY-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1ccsc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000194409974 376001209 /nfs/dbraw/zinc/00/12/09/376001209.db2.gz HEXOYTANHDQLKY-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000534529644 375991223 /nfs/dbraw/zinc/99/12/23/375991223.db2.gz PGEQJUCWFBSUHE-KZNAEPCWSA-N 2 2 274.452 3.328 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000214363783 376143455 /nfs/dbraw/zinc/14/34/55/376143455.db2.gz NIDVAOXPMKAWNG-IHNWGIHHSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000214363783 376143461 /nfs/dbraw/zinc/14/34/61/376143461.db2.gz NIDVAOXPMKAWNG-IHNWGIHHSA-N 2 2 270.420 3.306 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994395 376153767 /nfs/dbraw/zinc/15/37/67/376153767.db2.gz UAZIAHCOOIQLJT-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994395 376153772 /nfs/dbraw/zinc/15/37/72/376153772.db2.gz UAZIAHCOOIQLJT-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000221149504 376212575 /nfs/dbraw/zinc/21/25/75/376212575.db2.gz CINDDCHQRVDYFS-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000221149504 376212585 /nfs/dbraw/zinc/21/25/85/376212585.db2.gz CINDDCHQRVDYFS-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP c1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000221421754 376215784 /nfs/dbraw/zinc/21/57/84/376215784.db2.gz GOQGGHLGBASSEQ-QZTJIDSGSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000221421754 376215790 /nfs/dbraw/zinc/21/57/90/376215790.db2.gz GOQGGHLGBASSEQ-QZTJIDSGSA-N 2 2 266.388 3.024 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+]1CCCC[C@H]1C ZINC000337388641 376217627 /nfs/dbraw/zinc/21/76/27/376217627.db2.gz JKZDANZZUOGCQZ-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@H+]1CCCC[C@H]1C ZINC000337388641 376217633 /nfs/dbraw/zinc/21/76/33/376217633.db2.gz JKZDANZZUOGCQZ-ILXRZTDVSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000221911044 376224168 /nfs/dbraw/zinc/22/41/68/376224168.db2.gz CBDHOPYOQNIRQJ-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000221911044 376224172 /nfs/dbraw/zinc/22/41/72/376224172.db2.gz CBDHOPYOQNIRQJ-LBPRGKRZSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000337503188 376225919 /nfs/dbraw/zinc/22/59/19/376225919.db2.gz CMCWCSLJPOGMFG-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000223753919 376262386 /nfs/dbraw/zinc/26/23/86/376262386.db2.gz NUJWXJYKIRJXFQ-SCRDCRAPSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000223753919 376262393 /nfs/dbraw/zinc/26/23/93/376262393.db2.gz NUJWXJYKIRJXFQ-SCRDCRAPSA-N 2 2 278.465 3.202 20 0 CGADLP CC[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000539703847 376326230 /nfs/dbraw/zinc/32/62/30/376326230.db2.gz RVSZXYONLAYJOO-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP CC[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000539703847 376326241 /nfs/dbraw/zinc/32/62/41/376326241.db2.gz RVSZXYONLAYJOO-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccncc1F ZINC000338370357 376353155 /nfs/dbraw/zinc/35/31/55/376353155.db2.gz NRVNQBUVJKTLLL-GFCCVEGCSA-N 2 2 298.365 3.230 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000228760046 376446858 /nfs/dbraw/zinc/44/68/58/376446858.db2.gz RGRWDRQGZITFGG-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000228760046 376446861 /nfs/dbraw/zinc/44/68/61/376446861.db2.gz RGRWDRQGZITFGG-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+]C(C2CCC2)C2CCC2)C[C@@H](C)O1 ZINC000338689911 376482212 /nfs/dbraw/zinc/48/22/12/376482212.db2.gz CAVIMBUUHQBNNB-HUUCEWRRSA-N 2 2 294.483 3.044 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)Cc1ccsc1 ZINC000543094942 376605838 /nfs/dbraw/zinc/60/58/38/376605838.db2.gz HJAXTUTYBXWZNV-IMJJTQAJSA-N 2 2 278.465 3.238 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)Cc1ccsc1 ZINC000543094942 376605842 /nfs/dbraw/zinc/60/58/42/376605842.db2.gz HJAXTUTYBXWZNV-IMJJTQAJSA-N 2 2 278.465 3.238 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1ccsc1 ZINC000543094942 376605847 /nfs/dbraw/zinc/60/58/47/376605847.db2.gz HJAXTUTYBXWZNV-IMJJTQAJSA-N 2 2 278.465 3.238 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cc1ccsc1 ZINC000543094942 376605851 /nfs/dbraw/zinc/60/58/51/376605851.db2.gz HJAXTUTYBXWZNV-IMJJTQAJSA-N 2 2 278.465 3.238 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000542776969 376577107 /nfs/dbraw/zinc/57/71/07/376577107.db2.gz AFCJMOPIMVROPF-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000542776969 376577109 /nfs/dbraw/zinc/57/71/09/376577109.db2.gz AFCJMOPIMVROPF-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000542776969 376577110 /nfs/dbraw/zinc/57/71/10/376577110.db2.gz AFCJMOPIMVROPF-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000542776969 376577113 /nfs/dbraw/zinc/57/71/13/376577113.db2.gz AFCJMOPIMVROPF-FUHWJXTLSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000236749921 376690401 /nfs/dbraw/zinc/69/04/01/376690401.db2.gz KMTUHALEWGRLBZ-INIZCTEOSA-N 2 2 299.374 3.186 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccc(F)c2F)C1 ZINC000544145527 376709379 /nfs/dbraw/zinc/70/93/79/376709379.db2.gz MBTRBHNRMXGAFO-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000544145527 376709385 /nfs/dbraw/zinc/70/93/85/376709385.db2.gz MBTRBHNRMXGAFO-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1 ZINC000237721111 376760591 /nfs/dbraw/zinc/76/05/91/376760591.db2.gz HYDSIXVJBJMSBM-UHFFFAOYSA-N 2 2 281.359 3.241 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(C)C ZINC000339657526 376790645 /nfs/dbraw/zinc/79/06/45/376790645.db2.gz FQGBJTGELVTEQW-HNNXBMFYSA-N 2 2 271.408 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(C)C ZINC000339657526 376790642 /nfs/dbraw/zinc/79/06/42/376790642.db2.gz FQGBJTGELVTEQW-HNNXBMFYSA-N 2 2 271.408 3.465 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272353 376805422 /nfs/dbraw/zinc/80/54/22/376805422.db2.gz WRSWTMWAIQWZJB-YXXBGZSLSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272353 376805426 /nfs/dbraw/zinc/80/54/26/376805426.db2.gz WRSWTMWAIQWZJB-YXXBGZSLSA-N 2 2 284.447 3.179 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157752628 542138665 /nfs/dbraw/zinc/13/86/65/542138665.db2.gz CPGJZHUKDYBVSM-ZBFHGGJFSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157752628 542138669 /nfs/dbraw/zinc/13/86/69/542138669.db2.gz CPGJZHUKDYBVSM-ZBFHGGJFSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000245908968 376932130 /nfs/dbraw/zinc/93/21/30/376932130.db2.gz UUJOFGCITHBHKJ-JFIYKMOQSA-N 2 2 299.418 3.124 20 0 CGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000245908968 376932139 /nfs/dbraw/zinc/93/21/39/376932139.db2.gz UUJOFGCITHBHKJ-JFIYKMOQSA-N 2 2 299.418 3.124 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000340238168 376958658 /nfs/dbraw/zinc/95/86/58/376958658.db2.gz YJNRDAHRNQNANL-YQQAZPJKSA-N 2 2 290.451 3.225 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000340238168 376958665 /nfs/dbraw/zinc/95/86/65/376958665.db2.gz YJNRDAHRNQNANL-YQQAZPJKSA-N 2 2 290.451 3.225 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000558919867 377054352 /nfs/dbraw/zinc/05/43/52/377054352.db2.gz XSMGZBOEMHQTSC-MSOLQXFVSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000558919867 377054356 /nfs/dbraw/zinc/05/43/56/377054356.db2.gz XSMGZBOEMHQTSC-MSOLQXFVSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000558973299 377058951 /nfs/dbraw/zinc/05/89/51/377058951.db2.gz HPSDNDJUVUJTKZ-GOEBONIOSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000558973299 377058962 /nfs/dbraw/zinc/05/89/62/377058962.db2.gz HPSDNDJUVUJTKZ-GOEBONIOSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@H+](C)Cc1ccccc1 ZINC000340477185 377090799 /nfs/dbraw/zinc/09/07/99/377090799.db2.gz XBZCCXLCKMDXFN-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340477185 377090802 /nfs/dbraw/zinc/09/08/02/377090802.db2.gz XBZCCXLCKMDXFN-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1F ZINC000340480585 377091041 /nfs/dbraw/zinc/09/10/41/377091041.db2.gz SITKDVUPGHDDQA-SWLSCSKDSA-N 2 2 281.419 3.238 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000559741977 377096555 /nfs/dbraw/zinc/09/65/55/377096555.db2.gz QELLYFJSNYNJMT-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000559741977 377096565 /nfs/dbraw/zinc/09/65/65/377096565.db2.gz QELLYFJSNYNJMT-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2F)C1 ZINC000340540531 377136756 /nfs/dbraw/zinc/13/67/56/377136756.db2.gz GMRNCZKBTADXFM-HUUCEWRRSA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2F)C1 ZINC000340540531 377136766 /nfs/dbraw/zinc/13/67/66/377136766.db2.gz GMRNCZKBTADXFM-HUUCEWRRSA-N 2 2 293.430 3.239 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052419 377150352 /nfs/dbraw/zinc/15/03/52/377150352.db2.gz NHQTZMDNIAYTDC-BZSNNMDCSA-N 3 2 297.531 3.063 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052419 377150361 /nfs/dbraw/zinc/15/03/61/377150361.db2.gz NHQTZMDNIAYTDC-BZSNNMDCSA-N 3 2 297.531 3.063 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000247132185 377165168 /nfs/dbraw/zinc/16/51/68/377165168.db2.gz VNQBUCIFGPWDCW-ZHALLVOQSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000247132185 377165180 /nfs/dbraw/zinc/16/51/80/377165180.db2.gz VNQBUCIFGPWDCW-ZHALLVOQSA-N 2 2 299.462 3.238 20 0 CGADLP Cc1ccc2[nH+]c(CNc3cc[nH+]c(C)c3Cl)cn2c1 ZINC000340702924 377227725 /nfs/dbraw/zinc/22/77/25/377227725.db2.gz NGCBKKWTILFETA-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP C[C@H]1CCN(c2cc[nH+]cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247431231 377203227 /nfs/dbraw/zinc/20/32/27/377203227.db2.gz IISJNUOPOWVIDC-SMDDNHRTSA-N 2 2 276.771 3.019 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449316 377204805 /nfs/dbraw/zinc/20/48/05/377204805.db2.gz YWVRTDKAKXVOBP-ZIAGYGMSSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449316 377204813 /nfs/dbraw/zinc/20/48/13/377204813.db2.gz YWVRTDKAKXVOBP-ZIAGYGMSSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247449316 377204819 /nfs/dbraw/zinc/20/48/19/377204819.db2.gz YWVRTDKAKXVOBP-ZIAGYGMSSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247449316 377204827 /nfs/dbraw/zinc/20/48/27/377204827.db2.gz YWVRTDKAKXVOBP-ZIAGYGMSSA-N 2 2 264.388 3.303 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368243 249037771 /nfs/dbraw/zinc/03/77/71/249037771.db2.gz HBOQHOFXKVMBBH-ZDUSSCGKSA-N 2 2 295.496 3.404 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000163639114 542167681 /nfs/dbraw/zinc/16/76/81/542167681.db2.gz RPFDQVBQRQKMTG-ZDUSSCGKSA-N 2 2 296.480 3.126 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000265250393 190169442 /nfs/dbraw/zinc/16/94/42/190169442.db2.gz AONNMJDZAXNYLU-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP CC(C)([NH3+])C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000469876899 249161442 /nfs/dbraw/zinc/16/14/42/249161442.db2.gz AYOXIZFCPXELGR-UHFFFAOYSA-N 2 2 260.425 3.211 20 0 CGADLP CC(C)([NH3+])C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000469876899 249161445 /nfs/dbraw/zinc/16/14/45/249161445.db2.gz AYOXIZFCPXELGR-UHFFFAOYSA-N 2 2 260.425 3.211 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039900 249131653 /nfs/dbraw/zinc/13/16/53/249131653.db2.gz GYAOCAWJYOSHDX-VNQPRFMTSA-N 2 2 297.402 3.086 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039900 249131657 /nfs/dbraw/zinc/13/16/57/249131657.db2.gz GYAOCAWJYOSHDX-VNQPRFMTSA-N 2 2 297.402 3.086 20 0 CGADLP Cc1[nH]c2ccc(CSCC3CC[NH2+]CC3)cc2[nH+]1 ZINC000515057610 249199399 /nfs/dbraw/zinc/19/93/99/249199399.db2.gz JNTZQRWQVAPQBJ-UHFFFAOYSA-N 2 2 275.421 3.104 20 0 CGADLP Cc1[nH]c2cc(CSCC3CC[NH2+]CC3)ccc2[nH+]1 ZINC000515057610 249199402 /nfs/dbraw/zinc/19/94/02/249199402.db2.gz JNTZQRWQVAPQBJ-UHFFFAOYSA-N 2 2 275.421 3.104 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccccc2C)n1C ZINC000515170937 249203279 /nfs/dbraw/zinc/20/32/79/249203279.db2.gz AFMXUIFXLUMQHV-UHFFFAOYSA-N 2 2 257.381 3.062 20 0 CGADLP CCC[NH+](CCC)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341480084 377583668 /nfs/dbraw/zinc/58/36/68/377583668.db2.gz LBXDVLVNLZTKNV-UHFFFAOYSA-N 2 2 290.455 3.008 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCC23CC3)c[nH+]1 ZINC000517246807 249262030 /nfs/dbraw/zinc/26/20/30/249262030.db2.gz JHZQORXIYQQOOP-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP Clc1cccc2c(N3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000341932454 377625061 /nfs/dbraw/zinc/62/50/61/377625061.db2.gz MXPDEZVJVWTEOT-UHFFFAOYSA-N 2 2 287.794 3.173 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252714471 377654020 /nfs/dbraw/zinc/65/40/20/377654020.db2.gz SBIPIJAJNRDHSH-ZQNQSHIBSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252714471 377654030 /nfs/dbraw/zinc/65/40/30/377654030.db2.gz SBIPIJAJNRDHSH-ZQNQSHIBSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000252714468 377654371 /nfs/dbraw/zinc/65/43/71/377654371.db2.gz SBIPIJAJNRDHSH-QKGCVVFFSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C[N@H+]1C1CC1 ZINC000252714468 377654380 /nfs/dbraw/zinc/65/43/80/377654380.db2.gz SBIPIJAJNRDHSH-QKGCVVFFSA-N 2 2 250.430 3.026 20 0 CGADLP CCCc1csc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000494843636 535450140 /nfs/dbraw/zinc/45/01/40/535450140.db2.gz CEKONYFXECLJFK-CQSZACIVSA-N 2 2 295.496 3.450 20 0 CGADLP FC1(F)CCC[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000574957660 377730462 /nfs/dbraw/zinc/73/04/62/377730462.db2.gz YWMBXUBDERAWDS-ZDUSSCGKSA-N 2 2 295.377 3.393 20 0 CGADLP CC(C)OCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000265847321 190212213 /nfs/dbraw/zinc/21/22/13/190212213.db2.gz HNEHQQNMZKKPGY-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP CC(C)OCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000265847321 190212214 /nfs/dbraw/zinc/21/22/14/190212214.db2.gz HNEHQQNMZKKPGY-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342753407 377775471 /nfs/dbraw/zinc/77/54/71/377775471.db2.gz NARFOATWXWYIIP-AWEZNQCLSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342753407 377775481 /nfs/dbraw/zinc/77/54/81/377775481.db2.gz NARFOATWXWYIIP-AWEZNQCLSA-N 2 2 257.381 3.345 20 0 CGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000261545751 377815252 /nfs/dbraw/zinc/81/52/52/377815252.db2.gz KIGIMUXOGMAGPR-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP c1ccc(COc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000261560397 377819245 /nfs/dbraw/zinc/81/92/45/377819245.db2.gz ZWAQPPKRLJWSCF-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000261589305 377822591 /nfs/dbraw/zinc/82/25/91/377822591.db2.gz WGSPQEXIVSNLBR-LERXQTSPSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000261589305 377822603 /nfs/dbraw/zinc/82/26/03/377822603.db2.gz WGSPQEXIVSNLBR-LERXQTSPSA-N 2 2 285.218 3.163 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261586175 377823335 /nfs/dbraw/zinc/82/33/35/377823335.db2.gz UFBKKSBBSDWPLO-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261586175 377823339 /nfs/dbraw/zinc/82/33/39/377823339.db2.gz UFBKKSBBSDWPLO-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923069 377867927 /nfs/dbraw/zinc/86/79/27/377867927.db2.gz KTMDAIJLHLZZEI-YUMQZZPRSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923069 377867931 /nfs/dbraw/zinc/86/79/31/377867931.db2.gz KTMDAIJLHLZZEI-YUMQZZPRSA-N 2 2 279.236 3.224 20 0 CGADLP CCC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342941222 377868250 /nfs/dbraw/zinc/86/82/50/377868250.db2.gz IOMKRCPCJFOOJS-AWEZNQCLSA-N 2 2 257.381 3.346 20 0 CGADLP CCC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342941222 377868256 /nfs/dbraw/zinc/86/82/56/377868256.db2.gz IOMKRCPCJFOOJS-AWEZNQCLSA-N 2 2 257.381 3.346 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)co2)cc1 ZINC000261934757 377869362 /nfs/dbraw/zinc/86/93/62/377869362.db2.gz KDXZSKNXZFERTK-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)co2)cc1 ZINC000261934757 377869368 /nfs/dbraw/zinc/86/93/68/377869368.db2.gz KDXZSKNXZFERTK-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)n1C ZINC000575332091 377878846 /nfs/dbraw/zinc/87/88/46/377878846.db2.gz NUNLVRBMHIVHKR-CYBMUJFWSA-N 2 2 287.407 3.367 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(C[NH+](C)C)c(Cl)c2)n1C ZINC000342864305 377846408 /nfs/dbraw/zinc/84/64/08/377846408.db2.gz VWSUISPTOXPHGP-UHFFFAOYSA-N 2 2 292.814 3.056 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785980 377853329 /nfs/dbraw/zinc/85/33/29/377853329.db2.gz FVRORRHSBAKAOR-VHSXEESVSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785980 377853337 /nfs/dbraw/zinc/85/33/37/377853337.db2.gz FVRORRHSBAKAOR-VHSXEESVSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261838706 377858946 /nfs/dbraw/zinc/85/89/46/377858946.db2.gz UFYKXQSWGUNGPM-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261838706 377858951 /nfs/dbraw/zinc/85/89/51/377858951.db2.gz UFYKXQSWGUNGPM-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000343206707 377929762 /nfs/dbraw/zinc/92/97/62/377929762.db2.gz NUWJVTBHAQQTEW-GXTWGEPZSA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000343206707 377929767 /nfs/dbraw/zinc/92/97/67/377929767.db2.gz NUWJVTBHAQQTEW-GXTWGEPZSA-N 2 2 288.391 3.014 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000575812065 377992495 /nfs/dbraw/zinc/99/24/95/377992495.db2.gz HSXMZJITWQCEQM-IAGOWNOFSA-N 2 2 292.467 3.060 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000575812065 377992502 /nfs/dbraw/zinc/99/25/02/377992502.db2.gz HSXMZJITWQCEQM-IAGOWNOFSA-N 2 2 292.467 3.060 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)n1C ZINC000578907805 378112026 /nfs/dbraw/zinc/11/20/26/378112026.db2.gz CIQVTJGSLXTNOX-QWHCGFSZSA-N 2 2 257.381 3.010 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3Cc4ccccc4C3)C2)[nH]1 ZINC000579186977 378137473 /nfs/dbraw/zinc/13/74/73/378137473.db2.gz ZPRDROUOWGMRJR-KRWDZBQOSA-N 2 2 281.403 3.004 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3Cc4ccccc4C3)C2)[nH]1 ZINC000579186977 378137478 /nfs/dbraw/zinc/13/74/78/378137478.db2.gz ZPRDROUOWGMRJR-KRWDZBQOSA-N 2 2 281.403 3.004 20 0 CGADLP CC1=CC[C@H]([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000578680224 378091597 /nfs/dbraw/zinc/09/15/97/378091597.db2.gz FOPHJFCNEKBIDV-ZWKOTPCHSA-N 2 2 272.436 3.248 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750965 378102785 /nfs/dbraw/zinc/10/27/85/378102785.db2.gz XNOSSWOZAVDYBQ-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750965 378102791 /nfs/dbraw/zinc/10/27/91/378102791.db2.gz XNOSSWOZAVDYBQ-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP Cc1[nH+]ccn1CCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000269129820 378190967 /nfs/dbraw/zinc/19/09/67/378190967.db2.gz JIKRESHFBBONHB-UHFFFAOYSA-N 2 2 299.374 3.470 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777586 378192555 /nfs/dbraw/zinc/19/25/55/378192555.db2.gz SIAKRYYZZKVJME-QWHCGFSZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777586 378192562 /nfs/dbraw/zinc/19/25/62/378192562.db2.gz SIAKRYYZZKVJME-QWHCGFSZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777586 378192566 /nfs/dbraw/zinc/19/25/66/378192566.db2.gz SIAKRYYZZKVJME-QWHCGFSZSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777586 378192573 /nfs/dbraw/zinc/19/25/73/378192573.db2.gz SIAKRYYZZKVJME-QWHCGFSZSA-N 2 2 295.496 3.213 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC(F)(F)F)n2c1 ZINC000269330597 378208580 /nfs/dbraw/zinc/20/85/80/378208580.db2.gz BRKREVIFPUSFOB-UHFFFAOYSA-N 2 2 271.286 3.075 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000270103409 378307467 /nfs/dbraw/zinc/30/74/67/378307467.db2.gz CAONGNMTVHHYOM-HNNXBMFYSA-N 2 2 269.392 3.219 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1CC1 ZINC000270103409 378307471 /nfs/dbraw/zinc/30/74/71/378307471.db2.gz CAONGNMTVHHYOM-HNNXBMFYSA-N 2 2 269.392 3.219 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)[nH]1 ZINC000270335888 378337534 /nfs/dbraw/zinc/33/75/34/378337534.db2.gz NABHESOECBQZEU-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)[nH]1 ZINC000270335888 378337538 /nfs/dbraw/zinc/33/75/38/378337538.db2.gz NABHESOECBQZEU-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000270944652 378416905 /nfs/dbraw/zinc/41/69/05/378416905.db2.gz ZFEGKQQPOIMPPT-OAHLLOKOSA-N 2 2 289.810 3.334 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000270944652 378416912 /nfs/dbraw/zinc/41/69/12/378416912.db2.gz ZFEGKQQPOIMPPT-OAHLLOKOSA-N 2 2 289.810 3.334 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930076 378521305 /nfs/dbraw/zinc/52/13/05/378521305.db2.gz MIABNWASKLTNPD-HIFRSBDPSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930076 378521312 /nfs/dbraw/zinc/52/13/12/378521312.db2.gz MIABNWASKLTNPD-HIFRSBDPSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000346197838 378500759 /nfs/dbraw/zinc/50/07/59/378500759.db2.gz JTOWOACBXZJDFI-DZGCQCFKSA-N 2 2 261.413 3.415 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000346345672 378552703 /nfs/dbraw/zinc/55/27/03/378552703.db2.gz WZGSBCCRGSUNOS-YHOLWWCESA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000346345672 378552709 /nfs/dbraw/zinc/55/27/09/378552709.db2.gz WZGSBCCRGSUNOS-YHOLWWCESA-N 2 2 272.436 3.313 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC000346631787 378653628 /nfs/dbraw/zinc/65/36/28/378653628.db2.gz DOBRHUGUYOHLJL-HNNXBMFYSA-N 2 2 293.414 3.347 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@H]([NH3+])C3)ccc21 ZINC000346631787 378653632 /nfs/dbraw/zinc/65/36/32/378653632.db2.gz DOBRHUGUYOHLJL-HNNXBMFYSA-N 2 2 293.414 3.347 20 0 CGADLP CC(C)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Oc1ccccc1 ZINC000637988568 378657590 /nfs/dbraw/zinc/65/75/90/378657590.db2.gz YDRABWIEWSWJKW-UHFFFAOYSA-N 2 2 299.418 3.447 20 0 CGADLP CC(C)(C[NH+]1CCC(n2cc[nH+]c2)CC1)Oc1ccccc1 ZINC000637984034 378658244 /nfs/dbraw/zinc/65/82/44/378658244.db2.gz XQNFAVHBSJUUEF-UHFFFAOYSA-N 2 2 299.418 3.378 20 0 CGADLP c1sc(C[N@@H+]2CCC[NH2+]CC2)cc1-c1ccccc1 ZINC000346658646 378666297 /nfs/dbraw/zinc/66/62/97/378666297.db2.gz RVJDFBJFLWFIRT-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP c1sc(C[N@H+]2CCC[NH2+]CC2)cc1-c1ccccc1 ZINC000346658646 378666302 /nfs/dbraw/zinc/66/63/02/378666302.db2.gz RVJDFBJFLWFIRT-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346660658 378666617 /nfs/dbraw/zinc/66/66/17/378666617.db2.gz SIAQSZCXAKNGEZ-KBXCAEBGSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346660658 378666622 /nfs/dbraw/zinc/66/66/22/378666622.db2.gz SIAQSZCXAKNGEZ-KBXCAEBGSA-N 2 2 284.403 3.341 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)c[nH+]1 ZINC000638017104 378668441 /nfs/dbraw/zinc/66/84/41/378668441.db2.gz CCYANMNKDZDGCR-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)c[nH+]1 ZINC000638017104 378668451 /nfs/dbraw/zinc/66/84/51/378668451.db2.gz CCYANMNKDZDGCR-MRXNPFEDSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638017355 378669401 /nfs/dbraw/zinc/66/94/01/378669401.db2.gz GCEVFPLYLUKPMI-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638017355 378669405 /nfs/dbraw/zinc/66/94/05/378669405.db2.gz GCEVFPLYLUKPMI-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000638018851 378671104 /nfs/dbraw/zinc/67/11/04/378671104.db2.gz VFFNSEQQFQGMHM-OAHLLOKOSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000638018851 378671105 /nfs/dbraw/zinc/67/11/05/378671105.db2.gz VFFNSEQQFQGMHM-OAHLLOKOSA-N 2 2 275.421 3.399 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697353 378679758 /nfs/dbraw/zinc/67/97/58/378679758.db2.gz CHZPPIKAZIRVNG-MDZRGWNJSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697353 378679765 /nfs/dbraw/zinc/67/97/65/378679765.db2.gz CHZPPIKAZIRVNG-MDZRGWNJSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2CCSCC2)C1 ZINC000637951372 378642327 /nfs/dbraw/zinc/64/23/27/378642327.db2.gz JPENCEHIINYVBP-HLLBOEOZSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2CCSCC2)C1 ZINC000637951372 378642334 /nfs/dbraw/zinc/64/23/34/378642334.db2.gz JPENCEHIINYVBP-HLLBOEOZSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000637951372 378642339 /nfs/dbraw/zinc/64/23/39/378642339.db2.gz JPENCEHIINYVBP-HLLBOEOZSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000637951372 378642345 /nfs/dbraw/zinc/64/23/45/378642345.db2.gz JPENCEHIINYVBP-HLLBOEOZSA-N 2 2 296.524 3.467 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000637954374 378644467 /nfs/dbraw/zinc/64/44/67/378644467.db2.gz WEHLVIQGOZVAGT-GFCCVEGCSA-N 2 2 292.333 3.122 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000637954374 378644470 /nfs/dbraw/zinc/64/44/70/378644470.db2.gz WEHLVIQGOZVAGT-GFCCVEGCSA-N 2 2 292.333 3.122 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2cccc(F)c2C1 ZINC000347957929 378738857 /nfs/dbraw/zinc/73/88/57/378738857.db2.gz XPJWYHOJOAAGJQ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2cccc(F)c2C1 ZINC000347957929 378738863 /nfs/dbraw/zinc/73/88/63/378738863.db2.gz XPJWYHOJOAAGJQ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000347957929 378738866 /nfs/dbraw/zinc/73/88/66/378738866.db2.gz XPJWYHOJOAAGJQ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2cccc(F)c2C1 ZINC000347957929 378738873 /nfs/dbraw/zinc/73/88/73/378738873.db2.gz XPJWYHOJOAAGJQ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[NH2+]CC1 ZINC000346689217 217990090 /nfs/dbraw/zinc/99/00/90/217990090.db2.gz PSUDCCMAAACXKP-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1CCC[NH2+]CC1 ZINC000346689217 217990092 /nfs/dbraw/zinc/99/00/92/217990092.db2.gz PSUDCCMAAACXKP-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173658 378722213 /nfs/dbraw/zinc/72/22/13/378722213.db2.gz ZWGJOSURVGUZGQ-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173658 378722221 /nfs/dbraw/zinc/72/22/21/378722221.db2.gz ZWGJOSURVGUZGQ-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638287717 378756158 /nfs/dbraw/zinc/75/61/58/378756158.db2.gz VYDPVVLVPLLJBZ-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000348039377 378761411 /nfs/dbraw/zinc/76/14/11/378761411.db2.gz LSNFFGLAVUPHLI-OAHLLOKOSA-N 2 2 284.403 3.249 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638340971 378773471 /nfs/dbraw/zinc/77/34/71/378773471.db2.gz HEIHDRKNIVFVQL-SWLSCSKDSA-N 2 2 291.345 3.065 20 0 CGADLP CC(C)O[C@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000638359838 378777586 /nfs/dbraw/zinc/77/75/86/378777586.db2.gz SQRVVUOGIWVRIP-NVXWUHKLSA-N 2 2 287.407 3.028 20 0 CGADLP Cc1ccc([C@H](C[NH2+]CC2CCSCC2)[NH+](C)C)cc1 ZINC000638447990 378805450 /nfs/dbraw/zinc/80/54/50/378805450.db2.gz QCJKKQCQPIJKTO-KRWDZBQOSA-N 2 2 292.492 3.331 20 0 CGADLP c1c(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[nH+]c2ccccn12 ZINC000348247760 378862817 /nfs/dbraw/zinc/86/28/17/378862817.db2.gz RJBRWTZRYFLQNR-WMZOPIPTSA-N 2 2 291.398 3.270 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CC(C)(C)CC(C)(C)C2)s1 ZINC000348261453 378870251 /nfs/dbraw/zinc/87/02/51/378870251.db2.gz MNHKNEZXIBPCMK-UHFFFAOYSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)(C)c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)no1 ZINC000278516646 194024072 /nfs/dbraw/zinc/02/40/72/194024072.db2.gz BYXZWFQOESEWLX-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H](C)C[NH+](C)C ZINC000348308393 378899850 /nfs/dbraw/zinc/89/98/50/378899850.db2.gz ROHHWPIFLAZVSJ-GDBMZVCRSA-N 2 2 260.425 3.221 20 0 CGADLP Cc1ccn2cc(CNc3cc[nH+]c4ccccc34)[nH+]c2c1 ZINC000346931527 218062825 /nfs/dbraw/zinc/06/28/25/218062825.db2.gz GHTCAKOTZXPUBP-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638691152 378873354 /nfs/dbraw/zinc/87/33/54/378873354.db2.gz VVLNVFYBJGPQCY-YOEHRIQHSA-N 2 2 287.407 3.338 20 0 CGADLP Cc1ccncc1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000348359553 378927920 /nfs/dbraw/zinc/92/79/20/378927920.db2.gz OFQCZOJMSYUMNL-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP Cc1ccncc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000348359553 378927921 /nfs/dbraw/zinc/92/79/21/378927921.db2.gz OFQCZOJMSYUMNL-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348418720 378948756 /nfs/dbraw/zinc/94/87/56/378948756.db2.gz JJLFTDYOGJZXJR-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348418720 378948762 /nfs/dbraw/zinc/94/87/62/378948762.db2.gz JJLFTDYOGJZXJR-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348418711 378948873 /nfs/dbraw/zinc/94/88/73/378948873.db2.gz JJLFTDYOGJZXJR-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348418711 378948877 /nfs/dbraw/zinc/94/88/77/378948877.db2.gz JJLFTDYOGJZXJR-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000347047912 218103564 /nfs/dbraw/zinc/10/35/64/218103564.db2.gz PAWPEXVYJYRGLC-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000347047912 218103566 /nfs/dbraw/zinc/10/35/66/218103566.db2.gz PAWPEXVYJYRGLC-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347123969 218129215 /nfs/dbraw/zinc/12/92/15/218129215.db2.gz IILWGNCNZUTVAV-OAHLLOKOSA-N 2 2 262.397 3.361 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347123969 218129216 /nfs/dbraw/zinc/12/92/16/218129216.db2.gz IILWGNCNZUTVAV-OAHLLOKOSA-N 2 2 262.397 3.361 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2COc3c2cccc3Cl)CC1 ZINC000370573339 379034645 /nfs/dbraw/zinc/03/46/45/379034645.db2.gz CTVBKZVOYIOHEC-HNNXBMFYSA-N 2 2 294.826 3.238 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000278640869 194081748 /nfs/dbraw/zinc/08/17/48/194081748.db2.gz JACSTAGSTBIDES-UHFFFAOYSA-N 2 2 282.387 3.433 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@@H+]1C ZINC000278675307 194097703 /nfs/dbraw/zinc/09/77/03/194097703.db2.gz GCLUMGHCUYNBMG-ONGXEEELSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@H+]1C ZINC000278675307 194097706 /nfs/dbraw/zinc/09/77/06/194097706.db2.gz GCLUMGHCUYNBMG-ONGXEEELSA-N 2 2 288.769 3.191 20 0 CGADLP c1cn(Cc2ccc(NC3CCC4(CC4)CC3)[nH+]c2)c[nH+]1 ZINC000348836437 379076539 /nfs/dbraw/zinc/07/65/39/379076539.db2.gz WFZFCRUUJYINHE-UHFFFAOYSA-N 2 2 282.391 3.461 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000639177796 379094546 /nfs/dbraw/zinc/09/45/46/379094546.db2.gz WWOMASSSBMSEEA-HNNXBMFYSA-N 2 2 299.418 3.067 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000639177796 379094560 /nfs/dbraw/zinc/09/45/60/379094560.db2.gz WWOMASSSBMSEEA-HNNXBMFYSA-N 2 2 299.418 3.067 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)[nH]1 ZINC000277462189 379164720 /nfs/dbraw/zinc/16/47/20/379164720.db2.gz INHJIWHPVQRXMT-MRXNPFEDSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)[nH]1 ZINC000277462189 379164728 /nfs/dbraw/zinc/16/47/28/379164728.db2.gz INHJIWHPVQRXMT-MRXNPFEDSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2[nH+]ccc(NC[C@H]3CCCC[N@@H+]3C3CC3)c2cn1 ZINC000277490039 379174085 /nfs/dbraw/zinc/17/40/85/379174085.db2.gz RTOCTMMHDMPALB-CQSZACIVSA-N 2 2 282.391 3.059 20 0 CGADLP c1cc2[nH+]ccc(NC[C@H]3CCCC[N@H+]3C3CC3)c2cn1 ZINC000277490039 379174093 /nfs/dbraw/zinc/17/40/93/379174093.db2.gz RTOCTMMHDMPALB-CQSZACIVSA-N 2 2 282.391 3.059 20 0 CGADLP CCc1ccc(C)[nH+]c1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000639306855 379256353 /nfs/dbraw/zinc/25/63/53/379256353.db2.gz IOMJQSKDNLCUSI-AWEZNQCLSA-N 2 2 270.380 3.249 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000278887856 194196655 /nfs/dbraw/zinc/19/66/55/194196655.db2.gz HOQXAXKEDKIILM-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000278887856 194196658 /nfs/dbraw/zinc/19/66/58/194196658.db2.gz HOQXAXKEDKIILM-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(c3ccccc3)C2)c[nH+]1 ZINC000639361821 379319244 /nfs/dbraw/zinc/31/92/44/379319244.db2.gz TUQLFFLZXIMRNJ-UHFFFAOYSA-N 2 2 266.388 3.422 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000639374534 379329415 /nfs/dbraw/zinc/32/94/15/379329415.db2.gz GVRSBEFACRKHNF-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2occc2C)CC1 ZINC000639376640 379335926 /nfs/dbraw/zinc/33/59/26/379335926.db2.gz SDAYQKXIAILHME-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000639379592 379340740 /nfs/dbraw/zinc/34/07/40/379340740.db2.gz ZAMXFGXLOMEWRU-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP c1coc(-c2cc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)no2)c1 ZINC000374199385 379393128 /nfs/dbraw/zinc/39/31/28/379393128.db2.gz HOGLIWCRSGXEOE-UHFFFAOYSA-N 2 2 298.346 3.037 20 0 CGADLP c1coc(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)no2)c1 ZINC000374199385 379393135 /nfs/dbraw/zinc/39/31/35/379393135.db2.gz HOGLIWCRSGXEOE-UHFFFAOYSA-N 2 2 298.346 3.037 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](C)[NH+](C)C ZINC000349814334 379397474 /nfs/dbraw/zinc/39/74/74/379397474.db2.gz TWBKFFFHLDZQOE-ZBFHGGJFSA-N 2 2 260.425 3.221 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccon1 ZINC000349833396 379411955 /nfs/dbraw/zinc/41/19/55/379411955.db2.gz LAWBKCBARVDPEO-VYDXJSESSA-N 2 2 299.418 3.378 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccon1 ZINC000349833396 379411963 /nfs/dbraw/zinc/41/19/63/379411963.db2.gz LAWBKCBARVDPEO-VYDXJSESSA-N 2 2 299.418 3.378 20 0 CGADLP COc1cccc(CCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266741484 190278197 /nfs/dbraw/zinc/27/81/97/190278197.db2.gz LXMICZQBKKAOIK-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP CC(C)[C@@H](C)[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347644451 218305211 /nfs/dbraw/zinc/30/52/11/218305211.db2.gz VHRLSHACPKHRQM-GFCCVEGCSA-N 2 2 281.469 3.214 20 0 CGADLP CC(C)[C@@H](C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347644451 218305212 /nfs/dbraw/zinc/30/52/12/218305212.db2.gz VHRLSHACPKHRQM-GFCCVEGCSA-N 2 2 281.469 3.214 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377771150 379735908 /nfs/dbraw/zinc/73/59/08/379735908.db2.gz DJPNLCYXCZKUHP-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377771150 379735915 /nfs/dbraw/zinc/73/59/15/379735915.db2.gz DJPNLCYXCZKUHP-HNNXBMFYSA-N 2 2 299.418 3.092 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834063 379747814 /nfs/dbraw/zinc/74/78/14/379747814.db2.gz IRFNFQOYQSLYQO-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834063 379747819 /nfs/dbraw/zinc/74/78/19/379747819.db2.gz IRFNFQOYQSLYQO-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834063 379747823 /nfs/dbraw/zinc/74/78/23/379747823.db2.gz IRFNFQOYQSLYQO-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834063 379747827 /nfs/dbraw/zinc/74/78/27/379747827.db2.gz IRFNFQOYQSLYQO-ZBEGNZNMSA-N 2 2 298.352 3.020 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000347739774 218340476 /nfs/dbraw/zinc/34/04/76/218340476.db2.gz TWUASMDWKZMWDP-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000347739774 218340478 /nfs/dbraw/zinc/34/04/78/218340478.db2.gz TWUASMDWKZMWDP-AWEZNQCLSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000280720945 379772580 /nfs/dbraw/zinc/77/25/80/379772580.db2.gz UYHQMUZTWMWGIW-DZUCGIPZSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000280720945 379772585 /nfs/dbraw/zinc/77/25/85/379772585.db2.gz UYHQMUZTWMWGIW-DZUCGIPZSA-N 2 2 270.420 3.147 20 0 CGADLP CCCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267407254 190327998 /nfs/dbraw/zinc/32/79/98/190327998.db2.gz QURJXQONCVVYDY-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP CCCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267407254 190327999 /nfs/dbraw/zinc/32/79/99/190327999.db2.gz QURJXQONCVVYDY-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nc1 ZINC000352356487 379776920 /nfs/dbraw/zinc/77/69/20/379776920.db2.gz HWMBEMPOUFDAEL-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000347787087 218357928 /nfs/dbraw/zinc/35/79/28/218357928.db2.gz GTZKZFCOMGSHDT-LBPRGKRZSA-N 2 2 275.421 3.438 20 0 CGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000282427538 379917648 /nfs/dbraw/zinc/91/76/48/379917648.db2.gz YWJHSBJZSCLWNU-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000389498417 379900945 /nfs/dbraw/zinc/90/09/45/379900945.db2.gz BMEFIBXOHYVOEL-MOKVOYLWSA-N 2 2 278.827 3.270 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000389498417 379900948 /nfs/dbraw/zinc/90/09/48/379900948.db2.gz BMEFIBXOHYVOEL-MOKVOYLWSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CSC[C@H]1C ZINC000352802130 379969962 /nfs/dbraw/zinc/96/99/62/379969962.db2.gz LPDZQBDOZXLFEZ-CJNGLKHVSA-N 2 2 287.432 3.022 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000399021363 379932451 /nfs/dbraw/zinc/93/24/51/379932451.db2.gz HJNVRMQRDCIGNY-GYSYKLTISA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399145903 379936433 /nfs/dbraw/zinc/93/64/33/379936433.db2.gz WWBVZXQGOIUOPB-YCPHGPKFSA-N 2 2 276.424 3.265 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000282537348 379940930 /nfs/dbraw/zinc/94/09/30/379940930.db2.gz BLAZKWMVUWVADV-QWHCGFSZSA-N 2 2 277.799 3.146 20 0 CGADLP Cc1scc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000399920809 379947056 /nfs/dbraw/zinc/94/70/56/379947056.db2.gz ZJLRBZDJTNCKGL-QMTHXVAHSA-N 2 2 264.438 3.080 20 0 CGADLP Cc1scc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000399920809 379947060 /nfs/dbraw/zinc/94/70/60/379947060.db2.gz ZJLRBZDJTNCKGL-QMTHXVAHSA-N 2 2 264.438 3.080 20 0 CGADLP CCC[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCOC1 ZINC000352838247 379992585 /nfs/dbraw/zinc/99/25/85/379992585.db2.gz JUVAHGUKBFMLOP-GOSISDBHSA-N 2 2 299.418 3.230 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837926 379993340 /nfs/dbraw/zinc/99/33/40/379993340.db2.gz IIVJTPMTTYLZLS-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352837926 379993342 /nfs/dbraw/zinc/99/33/42/379993342.db2.gz IIVJTPMTTYLZLS-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352837926 379993345 /nfs/dbraw/zinc/99/33/45/379993345.db2.gz IIVJTPMTTYLZLS-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP CC[C@@H](F)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352837926 379993346 /nfs/dbraw/zinc/99/33/46/379993346.db2.gz IIVJTPMTTYLZLS-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000352839089 379995518 /nfs/dbraw/zinc/99/55/18/379995518.db2.gz OAJMRTOACBJFDO-FHWLQOOXSA-N 2 2 284.447 3.350 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000352839089 379995522 /nfs/dbraw/zinc/99/55/22/379995522.db2.gz OAJMRTOACBJFDO-FHWLQOOXSA-N 2 2 284.447 3.350 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000352850496 380004156 /nfs/dbraw/zinc/00/41/56/380004156.db2.gz XTVCCJFOPVFAIA-BPUTZDHNSA-N 2 2 282.497 3.006 20 0 CGADLP CC[C@@]1(C)CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347877031 218387679 /nfs/dbraw/zinc/38/76/79/218387679.db2.gz YETDRAANUYOVFB-HNNXBMFYSA-N 2 2 281.469 3.217 20 0 CGADLP CC[C@@]1(C)CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347877031 218387680 /nfs/dbraw/zinc/38/76/80/218387680.db2.gz YETDRAANUYOVFB-HNNXBMFYSA-N 2 2 281.469 3.217 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000352897347 380024318 /nfs/dbraw/zinc/02/43/18/380024318.db2.gz BFNXFLBRPOQQKT-QWQRMKEZSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000352897347 380024326 /nfs/dbraw/zinc/02/43/26/380024326.db2.gz BFNXFLBRPOQQKT-QWQRMKEZSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000352903494 380029378 /nfs/dbraw/zinc/02/93/78/380029378.db2.gz VDJUUDHVPVINNB-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1 ZINC000352903494 380029379 /nfs/dbraw/zinc/02/93/79/380029379.db2.gz VDJUUDHVPVINNB-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CC1CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000352948413 380053405 /nfs/dbraw/zinc/05/34/05/380053405.db2.gz SOPBNJFOTDHGIB-UHFFFAOYSA-N 2 2 261.413 3.415 20 0 CGADLP CSc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)o1 ZINC000641765820 380085679 /nfs/dbraw/zinc/08/56/79/380085679.db2.gz ZRELZWUHMDIUOQ-UHFFFAOYSA-N 2 2 282.453 3.213 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352934989 380047079 /nfs/dbraw/zinc/04/70/79/380047079.db2.gz XKDYYIAQNJMPRU-RHSMWYFYSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352934989 380047087 /nfs/dbraw/zinc/04/70/87/380047087.db2.gz XKDYYIAQNJMPRU-RHSMWYFYSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352934989 380047093 /nfs/dbraw/zinc/04/70/93/380047093.db2.gz XKDYYIAQNJMPRU-RHSMWYFYSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352934989 380047099 /nfs/dbraw/zinc/04/70/99/380047099.db2.gz XKDYYIAQNJMPRU-RHSMWYFYSA-N 2 2 284.403 3.267 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2nsc3ccccc32)CC1 ZINC000641791786 380103092 /nfs/dbraw/zinc/10/30/92/380103092.db2.gz KEODKCXHUUHMQN-UHFFFAOYSA-N 2 2 289.448 3.259 20 0 CGADLP Cc1ccc2[nH+]c(CNc3ccc4c(c3)C[N@H+](C)C4)cn2c1 ZINC000283918700 380105746 /nfs/dbraw/zinc/10/57/46/380105746.db2.gz LAIMADQNSBNGBE-UHFFFAOYSA-N 2 2 292.386 3.200 20 0 CGADLP Cc1ccc2[nH+]c(CNc3ccc4c(c3)C[N@@H+](C)C4)cn2c1 ZINC000283918700 380105750 /nfs/dbraw/zinc/10/57/50/380105750.db2.gz LAIMADQNSBNGBE-UHFFFAOYSA-N 2 2 292.386 3.200 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000284098696 380125641 /nfs/dbraw/zinc/12/56/41/380125641.db2.gz MRMPEVUTDZMVDL-AWEZNQCLSA-N 2 2 287.407 3.286 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000284098696 380125648 /nfs/dbraw/zinc/12/56/48/380125648.db2.gz MRMPEVUTDZMVDL-AWEZNQCLSA-N 2 2 287.407 3.286 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000411171997 380131641 /nfs/dbraw/zinc/13/16/41/380131641.db2.gz GTZNUFDCAAJRSI-ROUUACIJSA-N 2 2 288.410 3.242 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2[nH+]1 ZINC000643030340 380205017 /nfs/dbraw/zinc/20/50/17/380205017.db2.gz NXQUEIZUAZIQDR-NWDGAFQWSA-N 2 2 273.355 3.364 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000353226907 380176584 /nfs/dbraw/zinc/17/65/84/380176584.db2.gz HFBWSLULJQAEQL-OAHLLOKOSA-N 2 2 290.451 3.035 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000353226907 380176592 /nfs/dbraw/zinc/17/65/92/380176592.db2.gz HFBWSLULJQAEQL-OAHLLOKOSA-N 2 2 290.451 3.035 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000286237795 380181553 /nfs/dbraw/zinc/18/15/53/380181553.db2.gz FCSGFCIDWPCPAU-LJQANCHMSA-N 2 2 293.414 3.184 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000286237795 380181556 /nfs/dbraw/zinc/18/15/56/380181556.db2.gz FCSGFCIDWPCPAU-LJQANCHMSA-N 2 2 293.414 3.184 20 0 CGADLP Cc1cc(NC2CCC([NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000642998793 380204262 /nfs/dbraw/zinc/20/42/62/380204262.db2.gz HSIUMKJGELLUHB-UHFFFAOYSA-N 2 2 273.355 3.364 20 0 CGADLP Cc1cc(C[NH2+]CCc2cn(C)c[nH+]2)ccc1C(F)(F)F ZINC000414465273 380247095 /nfs/dbraw/zinc/24/70/95/380247095.db2.gz RFNOIQZYDABTHV-UHFFFAOYSA-N 2 2 297.324 3.080 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065399 380210574 /nfs/dbraw/zinc/21/05/74/380210574.db2.gz AUZZVKXZKSBZON-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065399 380210579 /nfs/dbraw/zinc/21/05/79/380210579.db2.gz AUZZVKXZKSBZON-WFASDCNBSA-N 2 2 272.417 3.085 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353627109 380215508 /nfs/dbraw/zinc/21/55/08/380215508.db2.gz KALBOXKBSOJIAV-IOASZLSFSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353627109 380215511 /nfs/dbraw/zinc/21/55/11/380215511.db2.gz KALBOXKBSOJIAV-IOASZLSFSA-N 2 2 281.403 3.495 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)N(C)c2ccccc2)c[nH+]1 ZINC000353913481 380231438 /nfs/dbraw/zinc/23/14/38/380231438.db2.gz IWDOATKXUILRTE-QGZVFWFLSA-N 2 2 297.446 3.437 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH+]3CCC2CC3)ccc1C(F)(F)F ZINC000414441639 380237979 /nfs/dbraw/zinc/23/79/79/380237979.db2.gz OIABXZAWMMJUAP-UHFFFAOYSA-N 2 2 298.352 3.294 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH+]3CCC2CC3)ccc1C(F)(F)F ZINC000414441639 380237983 /nfs/dbraw/zinc/23/79/83/380237983.db2.gz OIABXZAWMMJUAP-UHFFFAOYSA-N 2 2 298.352 3.294 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502103 380324376 /nfs/dbraw/zinc/32/43/76/380324376.db2.gz XNGCLZVVRBJUFH-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1F ZINC000643502146 380325246 /nfs/dbraw/zinc/32/52/46/380325246.db2.gz YCUCENJOSJDZIB-YPMHNXCESA-N 2 2 282.428 3.340 20 0 CGADLP COCCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643502805 380326148 /nfs/dbraw/zinc/32/61/48/380326148.db2.gz RNAPNNLSVOQSJN-IAGOWNOFSA-N 2 2 294.414 3.025 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502839 380326211 /nfs/dbraw/zinc/32/62/11/380326211.db2.gz SRXQNQSBOYWXES-DYVFJYSZSA-N 2 2 288.435 3.149 20 0 CGADLP COCCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643502804 380326336 /nfs/dbraw/zinc/32/63/36/380326336.db2.gz RNAPNNLSVOQSJN-DLBZAZTESA-N 2 2 294.414 3.025 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506436 380328143 /nfs/dbraw/zinc/32/81/43/380328143.db2.gz WWDITOUBQIBISY-CQSZACIVSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)s1 ZINC000643513038 380334065 /nfs/dbraw/zinc/33/40/65/380334065.db2.gz ADSXYPXHGCGJIH-LBPRGKRZSA-N 2 2 281.469 3.415 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)on1 ZINC000643455021 380308388 /nfs/dbraw/zinc/30/83/88/380308388.db2.gz TXCBYYCZRJOOOM-HRCADAONSA-N 2 2 291.439 3.198 20 0 CGADLP CC(C)c1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)on1 ZINC000643455261 380308411 /nfs/dbraw/zinc/30/84/11/380308411.db2.gz RALLMJQXBDDWEJ-KGLIPLIRSA-N 2 2 279.428 3.198 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000643469008 380314909 /nfs/dbraw/zinc/31/49/09/380314909.db2.gz AGAKSUBZFLGBPL-JKSUJKDBSA-N 2 2 288.439 3.144 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467559 380315000 /nfs/dbraw/zinc/31/50/00/380315000.db2.gz UHWATQSEDWKNQS-VBNZEHGJSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000414697733 380377839 /nfs/dbraw/zinc/37/78/39/380377839.db2.gz CVWIYACKSZCJSU-GFCCVEGCSA-N 2 2 266.351 3.024 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000414697733 380377842 /nfs/dbraw/zinc/37/78/42/380377842.db2.gz CVWIYACKSZCJSU-GFCCVEGCSA-N 2 2 266.351 3.024 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414694576 380377971 /nfs/dbraw/zinc/37/79/71/380377971.db2.gz OEUHBTGPHLGZLL-OAHLLOKOSA-N 2 2 276.424 3.220 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414694576 380377975 /nfs/dbraw/zinc/37/79/75/380377975.db2.gz OEUHBTGPHLGZLL-OAHLLOKOSA-N 2 2 276.424 3.220 20 0 CGADLP CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000354290004 380388642 /nfs/dbraw/zinc/38/86/42/380388642.db2.gz ONSAJACXHUNEDQ-UHFFFAOYSA-N 2 2 257.381 3.394 20 0 CGADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414741503 380391438 /nfs/dbraw/zinc/39/14/38/380391438.db2.gz MMXZLNIUTYDVOE-IUODEOHRSA-N 2 2 298.858 3.394 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414771805 380397226 /nfs/dbraw/zinc/39/72/26/380397226.db2.gz RRGCBHMRXTYHPD-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414771805 380397231 /nfs/dbraw/zinc/39/72/31/380397231.db2.gz RRGCBHMRXTYHPD-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771975 380397245 /nfs/dbraw/zinc/39/72/45/380397245.db2.gz QIWTYLULTJCVPC-DOMZBBRYSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771975 380397247 /nfs/dbraw/zinc/39/72/47/380397247.db2.gz QIWTYLULTJCVPC-DOMZBBRYSA-N 2 2 272.417 3.337 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)cn1 ZINC000354147580 380344469 /nfs/dbraw/zinc/34/44/69/380344469.db2.gz ULRDQAZXXMOTEH-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)c[nH+]1 ZINC000354147580 380344477 /nfs/dbraw/zinc/34/44/77/380344477.db2.gz ULRDQAZXXMOTEH-KRWDZBQOSA-N 3 2 289.467 3.033 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000643537356 380353604 /nfs/dbraw/zinc/35/36/04/380353604.db2.gz GAZQRCXIABZBGU-QAETUUGQSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)[C@H](C[NH3+])C1 ZINC000414764354 380395180 /nfs/dbraw/zinc/39/51/80/380395180.db2.gz DEMYSMGVLDDCKS-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)[C@H](C[NH3+])C1 ZINC000414764354 380395185 /nfs/dbraw/zinc/39/51/85/380395185.db2.gz DEMYSMGVLDDCKS-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000643538907 380355639 /nfs/dbraw/zinc/35/56/39/380355639.db2.gz ZTHIBCWZWXLWJV-OEAJRASXSA-N 2 2 296.817 3.266 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825169 380434261 /nfs/dbraw/zinc/43/42/61/380434261.db2.gz BVVJCRQYCMHVMN-GOSISDBHSA-N 2 2 284.403 3.047 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827799 380438588 /nfs/dbraw/zinc/43/85/88/380438588.db2.gz HUWVPSZLRBSYCW-KDOFPFPSSA-N 2 2 286.394 3.436 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000414834389 380442358 /nfs/dbraw/zinc/44/23/58/380442358.db2.gz QQURUVBQSIGRDZ-DLBZAZTESA-N 2 2 286.806 3.097 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414838274 380446200 /nfs/dbraw/zinc/44/62/00/380446200.db2.gz VHKOEVZLJPHKFQ-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000414848021 380451851 /nfs/dbraw/zinc/45/18/51/380451851.db2.gz PITBTDNOBPTFAY-BBRMVZONSA-N 2 2 278.465 3.153 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414847449 380452240 /nfs/dbraw/zinc/45/22/40/380452240.db2.gz OSEXJFYQBAMOBR-GOSISDBHSA-N 2 2 283.419 3.303 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cncs2)cc1 ZINC000414850483 380454624 /nfs/dbraw/zinc/45/46/24/380454624.db2.gz SISSOGGXPMIIOV-OAHLLOKOSA-N 2 2 275.421 3.056 20 0 CGADLP C[N@H+](Cc1c(Cl)oc2ccccc21)C1CC([NH3+])C1 ZINC000414781008 380400975 /nfs/dbraw/zinc/40/09/75/380400975.db2.gz VBUZXEYUJMGVGP-UHFFFAOYSA-N 2 2 264.756 3.008 20 0 CGADLP C[N@@H+](Cc1c(Cl)oc2ccccc21)C1CC([NH3+])C1 ZINC000414781008 380400986 /nfs/dbraw/zinc/40/09/86/380400986.db2.gz VBUZXEYUJMGVGP-UHFFFAOYSA-N 2 2 264.756 3.008 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000414787924 380404423 /nfs/dbraw/zinc/40/44/23/380404423.db2.gz CXNHCUOUDVPLEM-LLVKDONJSA-N 2 2 261.196 3.066 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414786984 380405311 /nfs/dbraw/zinc/40/53/11/380405311.db2.gz KUAQIXRXRAYSDQ-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000414786984 380405313 /nfs/dbraw/zinc/40/53/13/380405313.db2.gz KUAQIXRXRAYSDQ-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414919859 380488936 /nfs/dbraw/zinc/48/89/36/380488936.db2.gz XXWKDUGRSAERGG-HNNXBMFYSA-N 2 2 284.806 3.267 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)C[NH3+] ZINC000414938010 380497263 /nfs/dbraw/zinc/49/72/63/380497263.db2.gz XYSNJZGCMSMMCS-CQSZACIVSA-N 2 2 284.403 3.107 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1CCCC1 ZINC000415070811 380506779 /nfs/dbraw/zinc/50/67/79/380506779.db2.gz VPNJBDZRXSPWFL-CYBMUJFWSA-N 2 2 270.779 3.086 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000354496354 380460038 /nfs/dbraw/zinc/46/00/38/380460038.db2.gz HMYIOHBGHXNWQE-SJORKVTESA-N 2 2 288.435 3.260 20 0 CGADLP COC(C)(C)C[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354499039 380460166 /nfs/dbraw/zinc/46/01/66/380460166.db2.gz KIOUQVZTEKBLOD-AWEZNQCLSA-N 2 2 264.413 3.116 20 0 CGADLP COC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(C)o1 ZINC000354504883 380461885 /nfs/dbraw/zinc/46/18/85/380461885.db2.gz PNGPBABTGDZTLN-INIZCTEOSA-N 2 2 288.391 3.201 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1-c1cccs1 ZINC000414867620 380467282 /nfs/dbraw/zinc/46/72/82/380467282.db2.gz GTMAVNSPBKVAPI-LBPRGKRZSA-N 2 2 276.380 3.006 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000414874587 380468835 /nfs/dbraw/zinc/46/88/35/380468835.db2.gz YRZNGIDEXGPUMF-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414891460 380475762 /nfs/dbraw/zinc/47/57/62/380475762.db2.gz OAXAFTFGBGDUJF-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP C[C@@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000279118013 194291414 /nfs/dbraw/zinc/29/14/14/194291414.db2.gz LGYZTHDSFRMSLL-LBPRGKRZSA-N 2 2 292.452 3.063 20 0 CGADLP COCC[C@H]1CCCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354668926 380521749 /nfs/dbraw/zinc/52/17/49/380521749.db2.gz SRYHNGGTBLVWJQ-GOSISDBHSA-N 2 2 290.451 3.461 20 0 CGADLP COCC[C@H]1CCCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354668926 380521753 /nfs/dbraw/zinc/52/17/53/380521753.db2.gz SRYHNGGTBLVWJQ-GOSISDBHSA-N 2 2 290.451 3.461 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC000355113124 380580564 /nfs/dbraw/zinc/58/05/64/380580564.db2.gz JDXRIIJPTZAWTO-CRAIPNDOSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC000355113124 380580569 /nfs/dbraw/zinc/58/05/69/380580569.db2.gz JDXRIIJPTZAWTO-CRAIPNDOSA-N 2 2 290.451 3.460 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417360602 380607829 /nfs/dbraw/zinc/60/78/29/380607829.db2.gz XNMCQLPXDMSFSN-MLGOLLRUSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197374 380612848 /nfs/dbraw/zinc/61/28/48/380612848.db2.gz QEFHURBQZGCBLW-GOEBONIOSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197374 380612852 /nfs/dbraw/zinc/61/28/52/380612852.db2.gz QEFHURBQZGCBLW-GOEBONIOSA-N 2 2 278.415 3.377 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418110774 380701803 /nfs/dbraw/zinc/70/18/03/380701803.db2.gz CSNYJXVTTIYBLN-RAXLEYEMSA-N 2 2 278.827 3.427 20 0 CGADLP CCSCC[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000355741285 380765861 /nfs/dbraw/zinc/76/58/61/380765861.db2.gz VAPQQTPADHCNHW-QGZVFWFLSA-N 2 2 292.492 3.475 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC000645811000 380737528 /nfs/dbraw/zinc/73/75/28/380737528.db2.gz PNBQCILTCJZEBT-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000645811000 380737533 /nfs/dbraw/zinc/73/75/33/380737533.db2.gz PNBQCILTCJZEBT-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCO[C@@H]1C[C@H]([N@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815854 380741106 /nfs/dbraw/zinc/74/11/06/380741106.db2.gz XRQNYXSOTWOVBT-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815854 380741108 /nfs/dbraw/zinc/74/11/08/380741108.db2.gz XRQNYXSOTWOVBT-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000645828859 380744336 /nfs/dbraw/zinc/74/43/36/380744336.db2.gz CJDLHSQBXGBFLM-GFCCVEGCSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000645828859 380744342 /nfs/dbraw/zinc/74/43/42/380744342.db2.gz CJDLHSQBXGBFLM-GFCCVEGCSA-N 2 2 291.345 3.110 20 0 CGADLP c1cn2c(cccc2C[N@@H+](CC2CC2)C2CCC2)[nH+]1 ZINC000355673245 380746179 /nfs/dbraw/zinc/74/61/79/380746179.db2.gz AMLNABWPDWRLBX-UHFFFAOYSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+](CC2CC2)C2CCC2)[nH+]1 ZINC000355673245 380746183 /nfs/dbraw/zinc/74/61/83/380746183.db2.gz AMLNABWPDWRLBX-UHFFFAOYSA-N 2 2 255.365 3.099 20 0 CGADLP C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000645852091 380752215 /nfs/dbraw/zinc/75/22/15/380752215.db2.gz JAINDRGFXJDNOS-JKSUJKDBSA-N 2 2 299.418 3.340 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000356865896 380908173 /nfs/dbraw/zinc/90/81/73/380908173.db2.gz DOMISUHTGZZZTQ-CQSZACIVSA-N 2 2 275.440 3.167 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000356886692 380921187 /nfs/dbraw/zinc/92/11/87/380921187.db2.gz YEPSKHMPVBJNNO-HOCLYGCPSA-N 2 2 298.434 3.377 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000357410009 381148261 /nfs/dbraw/zinc/14/82/61/381148261.db2.gz FPDOZPYQUPUXDP-YJBOKZPZSA-N 2 2 290.451 3.468 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)C1 ZINC000358016589 381288176 /nfs/dbraw/zinc/28/81/76/381288176.db2.gz GKASUNMQJDYGDO-NILFDRSVSA-N 2 2 294.826 3.093 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@H]2C ZINC000359633184 381357334 /nfs/dbraw/zinc/35/73/34/381357334.db2.gz JFLZZRUXEIMTJY-KBPBESRZSA-N 2 2 299.418 3.208 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCn1cc[nH+]c1C)[C@H]2C ZINC000359633184 381357341 /nfs/dbraw/zinc/35/73/41/381357341.db2.gz JFLZZRUXEIMTJY-KBPBESRZSA-N 2 2 299.418 3.208 20 0 CGADLP CSC1(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000289077299 197229755 /nfs/dbraw/zinc/22/97/55/197229755.db2.gz CWZWWVUYGCWXQS-HNNXBMFYSA-N 2 2 278.465 3.083 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360833925 381630682 /nfs/dbraw/zinc/63/06/82/381630682.db2.gz HWOOGOIQROBYIB-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000360833925 381630692 /nfs/dbraw/zinc/63/06/92/381630692.db2.gz HWOOGOIQROBYIB-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP CCCC[C@@H](COC)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361494842 381775144 /nfs/dbraw/zinc/77/51/44/381775144.db2.gz AHMTUHPTGAPHGU-INIZCTEOSA-N 2 2 287.407 3.167 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524824 382036430 /nfs/dbraw/zinc/03/64/30/382036430.db2.gz JOYIDGDQZOUQQY-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524824 382036432 /nfs/dbraw/zinc/03/64/32/382036432.db2.gz JOYIDGDQZOUQQY-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524824 382036437 /nfs/dbraw/zinc/03/64/37/382036437.db2.gz JOYIDGDQZOUQQY-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)CC[C@@H]21 ZINC000362524824 382036441 /nfs/dbraw/zinc/03/64/41/382036441.db2.gz JOYIDGDQZOUQQY-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccccc3C1)CCC2 ZINC000366207805 382304623 /nfs/dbraw/zinc/30/46/23/382304623.db2.gz DCRGNBQHWKNHIW-QZTJIDSGSA-N 2 2 295.430 3.216 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103167 382365212 /nfs/dbraw/zinc/36/52/12/382365212.db2.gz SUYHZGOIIDLZQF-UONOGXRCSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103167 382365215 /nfs/dbraw/zinc/36/52/15/382365215.db2.gz SUYHZGOIIDLZQF-UONOGXRCSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000370112080 382418310 /nfs/dbraw/zinc/41/83/10/382418310.db2.gz NUGTXCSTRQSVFF-CQSZACIVSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251819170 542348689 /nfs/dbraw/zinc/34/86/89/542348689.db2.gz PDBJEVKRBFBCAQ-TZMCWYRMSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251819170 542348691 /nfs/dbraw/zinc/34/86/91/542348691.db2.gz PDBJEVKRBFBCAQ-TZMCWYRMSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251780716 542347786 /nfs/dbraw/zinc/34/77/86/542347786.db2.gz SPAJAGPVCKTSJH-JJRVBVJISA-N 2 2 290.451 3.093 20 0 CGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251780716 542347787 /nfs/dbraw/zinc/34/77/87/542347787.db2.gz SPAJAGPVCKTSJH-JJRVBVJISA-N 2 2 290.451 3.093 20 0 CGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251780719 542348286 /nfs/dbraw/zinc/34/82/86/542348286.db2.gz SPAJAGPVCKTSJH-VBQJREDUSA-N 2 2 290.451 3.093 20 0 CGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251780719 542348290 /nfs/dbraw/zinc/34/82/90/542348290.db2.gz SPAJAGPVCKTSJH-VBQJREDUSA-N 2 2 290.451 3.093 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252714671 542351171 /nfs/dbraw/zinc/35/11/71/542351171.db2.gz SODXUOGXISCIKS-NYTXWWLZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252714671 542351173 /nfs/dbraw/zinc/35/11/73/542351173.db2.gz SODXUOGXISCIKS-NYTXWWLZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423439796 532993247 /nfs/dbraw/zinc/99/32/47/532993247.db2.gz IDNHHJZGCYLRLS-VGMNWLOBSA-N 2 2 261.196 3.380 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000289373355 197317460 /nfs/dbraw/zinc/31/74/60/197317460.db2.gz AOOMIHPWONSBHE-HOTGVXAUSA-N 2 2 276.424 3.117 20 0 CGADLP CC[N@H+](Cc1ccsc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261803709 285122887 /nfs/dbraw/zinc/12/28/87/285122887.db2.gz HEQKDZPIBXTEBX-GFCCVEGCSA-N 2 2 272.845 3.366 20 0 CGADLP CC[N@@H+](Cc1ccsc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261803709 285122888 /nfs/dbraw/zinc/12/28/88/285122888.db2.gz HEQKDZPIBXTEBX-GFCCVEGCSA-N 2 2 272.845 3.366 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242584 219002380 /nfs/dbraw/zinc/00/23/80/219002380.db2.gz FPXIKGOVOSQICL-FSPWUOQZSA-N 2 2 288.410 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242584 219002382 /nfs/dbraw/zinc/00/23/82/219002382.db2.gz FPXIKGOVOSQICL-FSPWUOQZSA-N 2 2 288.410 3.301 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103008 533175997 /nfs/dbraw/zinc/17/59/97/533175997.db2.gz RJLFOTUXFGRFII-IPYPFGDCSA-N 2 2 299.418 3.057 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103008 533176003 /nfs/dbraw/zinc/17/60/03/533176003.db2.gz RJLFOTUXFGRFII-IPYPFGDCSA-N 2 2 299.418 3.057 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328335269 542444230 /nfs/dbraw/zinc/44/42/30/542444230.db2.gz IZMGVWZHOJGYQT-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328335269 542444234 /nfs/dbraw/zinc/44/42/34/542444234.db2.gz IZMGVWZHOJGYQT-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000156588105 285261562 /nfs/dbraw/zinc/26/15/62/285261562.db2.gz ZEAGUJJSDGGRFL-DZGCQCFKSA-N 2 2 293.430 3.027 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000156588105 285261563 /nfs/dbraw/zinc/26/15/63/285261563.db2.gz ZEAGUJJSDGGRFL-DZGCQCFKSA-N 2 2 293.430 3.027 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sccc1C ZINC000246672435 285261861 /nfs/dbraw/zinc/26/18/61/285261861.db2.gz UJGRFIKECRPFLS-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1sccc1C ZINC000246672435 285261865 /nfs/dbraw/zinc/26/18/65/285261865.db2.gz UJGRFIKECRPFLS-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000156588244 285288161 /nfs/dbraw/zinc/28/81/61/285288161.db2.gz ZEAGUJJSDGGRFL-ZFWWWQNUSA-N 2 2 293.430 3.027 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000156588244 285288163 /nfs/dbraw/zinc/28/81/63/285288163.db2.gz ZEAGUJJSDGGRFL-ZFWWWQNUSA-N 2 2 293.430 3.027 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000348100227 542514150 /nfs/dbraw/zinc/51/41/50/542514150.db2.gz DBFYLDNTOPTULH-GJZGRUSLSA-N 2 2 259.397 3.052 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3c[nH+]cn3C)oc2c1 ZINC000353573197 542559562 /nfs/dbraw/zinc/55/95/62/542559562.db2.gz USGCHTCPHRKWHM-LBPRGKRZSA-N 2 2 269.348 3.326 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414069512 533458887 /nfs/dbraw/zinc/45/88/87/533458887.db2.gz KNAGCASOKITQAJ-NFAWXSAZSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423231688 533431333 /nfs/dbraw/zinc/43/13/33/533431333.db2.gz AZZLCGULHPMQPV-PBHICJAKSA-N 2 2 283.419 3.103 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCC12CCCCC2 ZINC000449224586 533586914 /nfs/dbraw/zinc/58/69/14/533586914.db2.gz MHZYQXVZGKQSND-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000449036794 533651690 /nfs/dbraw/zinc/65/16/90/533651690.db2.gz VSLCVCPHLRUJBK-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)C[N@@H+]1C1CC1 ZINC000449187645 533651846 /nfs/dbraw/zinc/65/18/46/533651846.db2.gz MQTLIMACYZJUHR-IUODEOHRSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccoc32)C[N@H+]1C1CC1 ZINC000449187645 533651855 /nfs/dbraw/zinc/65/18/55/533651855.db2.gz MQTLIMACYZJUHR-IUODEOHRSA-N 2 2 270.376 3.148 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000449167747 533667057 /nfs/dbraw/zinc/66/70/57/533667057.db2.gz KXLOPTVBZHTSKT-INIZCTEOSA-N 2 2 299.418 3.176 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000381873475 542599301 /nfs/dbraw/zinc/59/93/01/542599301.db2.gz MEYZCOXUCNOGRV-KBMXLJTQSA-N 2 2 294.389 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000381873475 542599305 /nfs/dbraw/zinc/59/93/05/542599305.db2.gz MEYZCOXUCNOGRV-KBMXLJTQSA-N 2 2 294.389 3.427 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccsc2)C1 ZINC000389130379 542607407 /nfs/dbraw/zinc/60/74/07/542607407.db2.gz DZRMUOYUHHDENB-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccsc2)C1 ZINC000389130379 542607411 /nfs/dbraw/zinc/60/74/11/542607411.db2.gz DZRMUOYUHHDENB-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)Cn1cc[nH+]c1 ZINC000190894427 130159752 /nfs/dbraw/zinc/15/97/52/130159752.db2.gz NLBDLEPGADNKQI-HNNXBMFYSA-N 2 2 299.418 3.098 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000390131455 542610441 /nfs/dbraw/zinc/61/04/41/542610441.db2.gz WHEMWANBPNDJJA-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000390131455 542610443 /nfs/dbraw/zinc/61/04/43/542610443.db2.gz WHEMWANBPNDJJA-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(O)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655247 542611381 /nfs/dbraw/zinc/61/13/81/542611381.db2.gz OPMJOMVMHDYXDU-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655247 542611383 /nfs/dbraw/zinc/61/13/83/542611383.db2.gz OPMJOMVMHDYXDU-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccs2)C1 ZINC000393951083 542613293 /nfs/dbraw/zinc/61/32/93/542613293.db2.gz PPAJMFRSTAKMAA-QWHCGFSZSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccs2)C1 ZINC000393951083 542613296 /nfs/dbraw/zinc/61/32/96/542613296.db2.gz PPAJMFRSTAKMAA-QWHCGFSZSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1csc(Cl)c1 ZINC000191212128 130203139 /nfs/dbraw/zinc/20/31/39/130203139.db2.gz MWLSNYMHPOQXEN-ONGXEEELSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1csc(Cl)c1 ZINC000191212128 130203141 /nfs/dbraw/zinc/20/31/41/130203141.db2.gz MWLSNYMHPOQXEN-ONGXEEELSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000093978090 392241356 /nfs/dbraw/zinc/24/13/56/392241356.db2.gz RBMLALXIDFDJKQ-AGIUHOORSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000093978090 392241362 /nfs/dbraw/zinc/24/13/62/392241362.db2.gz RBMLALXIDFDJKQ-AGIUHOORSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361737069 392309152 /nfs/dbraw/zinc/30/91/52/392309152.db2.gz WBQZKPBUXHQPQU-VIFPVBQESA-N 2 2 289.326 3.364 20 0 CGADLP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361743998 392310220 /nfs/dbraw/zinc/31/02/20/392310220.db2.gz DWEQERDAHKVACP-QZTJIDSGSA-N 2 2 299.418 3.228 20 0 CGADLP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361744000 392310280 /nfs/dbraw/zinc/31/02/80/392310280.db2.gz DWEQERDAHKVACP-ROUUACIJSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@@H](c1cccnc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285645025 392328999 /nfs/dbraw/zinc/32/89/99/392328999.db2.gz LYTRVPAMAQRVIM-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1cccnc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285645025 392329005 /nfs/dbraw/zinc/32/90/05/392329005.db2.gz LYTRVPAMAQRVIM-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1cccnc1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285645025 392329011 /nfs/dbraw/zinc/32/90/11/392329011.db2.gz LYTRVPAMAQRVIM-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H](c1cccnc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285645025 392329017 /nfs/dbraw/zinc/32/90/17/392329017.db2.gz LYTRVPAMAQRVIM-HNNXBMFYSA-N 2 2 287.407 3.190 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000361851154 392345821 /nfs/dbraw/zinc/34/58/21/392345821.db2.gz URHMUVZVPROQLG-XHSDSOJGSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000361851154 392345824 /nfs/dbraw/zinc/34/58/24/392345824.db2.gz URHMUVZVPROQLG-XHSDSOJGSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000361862997 392348941 /nfs/dbraw/zinc/34/89/41/392348941.db2.gz SIQGXKWZKGPDEO-UHFFFAOYSA-N 2 2 271.339 3.240 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC=C(F)C1 ZINC000361862997 392348944 /nfs/dbraw/zinc/34/89/44/392348944.db2.gz SIQGXKWZKGPDEO-UHFFFAOYSA-N 2 2 271.339 3.240 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000252731413 131138315 /nfs/dbraw/zinc/13/83/15/131138315.db2.gz PUTRFGNROXUOMB-SHTZXODSSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1ccc([C@@H](CNc2cccc[nH+]2)[NH+]2CCCC2)o1 ZINC000263691394 131310174 /nfs/dbraw/zinc/31/01/74/131310174.db2.gz JWUQATFGZFGVQX-CQSZACIVSA-N 2 2 271.364 3.232 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000132636807 392461666 /nfs/dbraw/zinc/46/16/66/392461666.db2.gz XHBJVAZZYHPOSP-GVXVVHGQSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000132636807 392461673 /nfs/dbraw/zinc/46/16/73/392461673.db2.gz XHBJVAZZYHPOSP-GVXVVHGQSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000154603984 392536727 /nfs/dbraw/zinc/53/67/27/392536727.db2.gz TYQVRQGXONKJJS-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000154603984 392536734 /nfs/dbraw/zinc/53/67/34/392536734.db2.gz TYQVRQGXONKJJS-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP c1cn([C@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000368262597 392488478 /nfs/dbraw/zinc/48/84/78/392488478.db2.gz ZEVLILNTNTUCRR-ULQDDVLXSA-N 2 2 267.376 3.076 20 0 CGADLP c1cn([C@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000368262597 392488485 /nfs/dbraw/zinc/48/84/85/392488485.db2.gz ZEVLILNTNTUCRR-ULQDDVLXSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000152098944 392494980 /nfs/dbraw/zinc/49/49/80/392494980.db2.gz HAYCMJDJLYARMZ-SJLPKXTDSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000152098944 392494982 /nfs/dbraw/zinc/49/49/82/392494982.db2.gz HAYCMJDJLYARMZ-SJLPKXTDSA-N 2 2 295.430 3.464 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccco1 ZINC000152251095 392500350 /nfs/dbraw/zinc/50/03/50/392500350.db2.gz IOGIXRRIQSJIKM-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(C)CC1 ZINC000152257687 392502081 /nfs/dbraw/zinc/50/20/81/392502081.db2.gz RYMBZAQDQAIURK-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000158911603 392579723 /nfs/dbraw/zinc/57/97/23/392579723.db2.gz QLXMVDVZOXWQMV-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000158911603 392579727 /nfs/dbraw/zinc/57/97/27/392579727.db2.gz QLXMVDVZOXWQMV-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cn2)CC1 ZINC000161802744 392585779 /nfs/dbraw/zinc/58/57/79/392585779.db2.gz MRVZAPAJPFVEIL-HNNXBMFYSA-N 2 2 279.403 3.136 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000156555929 392548369 /nfs/dbraw/zinc/54/83/69/392548369.db2.gz REKWESCHEREUEK-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(OC)c1 ZINC000156555929 392548373 /nfs/dbraw/zinc/54/83/73/392548373.db2.gz REKWESCHEREUEK-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000647304519 392653768 /nfs/dbraw/zinc/65/37/68/392653768.db2.gz RAAJBKORGCLVPN-GOEBONIOSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000647304519 392653772 /nfs/dbraw/zinc/65/37/72/392653772.db2.gz RAAJBKORGCLVPN-GOEBONIOSA-N 2 2 284.407 3.039 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000647315908 392659771 /nfs/dbraw/zinc/65/97/71/392659771.db2.gz FRGFNVGDWRADPD-STQMWFEESA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[N@H+]1C ZINC000647315908 392659776 /nfs/dbraw/zinc/65/97/76/392659776.db2.gz FRGFNVGDWRADPD-STQMWFEESA-N 2 2 278.827 3.401 20 0 CGADLP FC(F)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553661 392767413 /nfs/dbraw/zinc/76/74/13/392767413.db2.gz GPSFMHPRPVQSFU-AWEZNQCLSA-N 2 2 296.361 3.052 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000647538038 392756448 /nfs/dbraw/zinc/75/64/48/392756448.db2.gz CUHGSGDCXVQRKO-ZDUSSCGKSA-N 2 2 297.240 3.323 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000647538038 392756450 /nfs/dbraw/zinc/75/64/50/392756450.db2.gz CUHGSGDCXVQRKO-ZDUSSCGKSA-N 2 2 297.240 3.323 20 0 CGADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000647549274 392762347 /nfs/dbraw/zinc/76/23/47/392762347.db2.gz QFTIKAZFPLRTIX-GDBMZVCRSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000647549276 392762713 /nfs/dbraw/zinc/76/27/13/392762713.db2.gz QFTIKAZFPLRTIX-HOCLYGCPSA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647552834 392765535 /nfs/dbraw/zinc/76/55/35/392765535.db2.gz ZQVBZLKKIMLCJF-LBPRGKRZSA-N 2 2 266.816 3.292 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CCc3ccco3)cn21 ZINC000647364602 392707749 /nfs/dbraw/zinc/70/77/49/392707749.db2.gz FYNYUVBANVIMEQ-CQSZACIVSA-N 2 2 297.402 3.389 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647363573 392708237 /nfs/dbraw/zinc/70/82/37/392708237.db2.gz DFPGBEWYYDYWRI-GOEBONIOSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191558 392708863 /nfs/dbraw/zinc/70/88/63/392708863.db2.gz IQPZQWMMPRECSC-WCBMZHEXSA-N 2 2 295.308 3.035 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191558 392708870 /nfs/dbraw/zinc/70/88/70/392708870.db2.gz IQPZQWMMPRECSC-WCBMZHEXSA-N 2 2 295.308 3.035 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554084 392767031 /nfs/dbraw/zinc/76/70/31/392767031.db2.gz QOOPAMCOTGMZEM-AWEZNQCLSA-N 2 2 264.438 3.075 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H]2CCSC2)[nH+]1 ZINC000375737068 392812777 /nfs/dbraw/zinc/81/27/77/392812777.db2.gz WCNZLKHTWJCVPO-GJZGRUSLSA-N 2 2 291.464 3.019 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H]2CCSC2)[nH+]1 ZINC000375737068 392812784 /nfs/dbraw/zinc/81/27/84/392812784.db2.gz WCNZLKHTWJCVPO-GJZGRUSLSA-N 2 2 291.464 3.019 20 0 CGADLP Clc1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886009 392826325 /nfs/dbraw/zinc/82/63/25/392826325.db2.gz CLDLGDIIXZIOGK-IUODEOHRSA-N 2 2 296.867 3.039 20 0 CGADLP Clc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886009 392826333 /nfs/dbraw/zinc/82/63/33/392826333.db2.gz CLDLGDIIXZIOGK-IUODEOHRSA-N 2 2 296.867 3.039 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924837 392834273 /nfs/dbraw/zinc/83/42/73/392834273.db2.gz OLUJGGFTBOLVQV-AWEZNQCLSA-N 2 2 268.351 3.229 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1sccc1Cl)CC2 ZINC000375871031 392835555 /nfs/dbraw/zinc/83/55/55/392835555.db2.gz BKLBMOAOMYIVBB-UHFFFAOYSA-N 2 2 284.856 3.462 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1sccc1Cl)CC2 ZINC000375871031 392835560 /nfs/dbraw/zinc/83/55/60/392835560.db2.gz BKLBMOAOMYIVBB-UHFFFAOYSA-N 2 2 284.856 3.462 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377787148 392888743 /nfs/dbraw/zinc/88/87/43/392888743.db2.gz SHVQFQHRWLBUIX-OAHLLOKOSA-N 2 2 269.392 3.180 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377787148 392888747 /nfs/dbraw/zinc/88/87/47/392888747.db2.gz SHVQFQHRWLBUIX-OAHLLOKOSA-N 2 2 269.392 3.180 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381519013 392908735 /nfs/dbraw/zinc/90/87/35/392908735.db2.gz MGZYIHOYRAARPM-HPDBWDTBSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381519013 392908742 /nfs/dbraw/zinc/90/87/42/392908742.db2.gz MGZYIHOYRAARPM-HPDBWDTBSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c[nH+]1 ZINC000648048316 392883570 /nfs/dbraw/zinc/88/35/70/392883570.db2.gz YDVNJRFRWLJWSY-QZTJIDSGSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c[nH+]1 ZINC000648048316 392883574 /nfs/dbraw/zinc/88/35/74/392883574.db2.gz YDVNJRFRWLJWSY-QZTJIDSGSA-N 2 2 288.435 3.214 20 0 CGADLP Fc1ccc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)[nH]c2c1 ZINC000488531162 542714829 /nfs/dbraw/zinc/71/48/29/542714829.db2.gz YEFLBYJRLNSYMV-MRXNPFEDSA-N 2 2 298.365 3.168 20 0 CGADLP Fc1ccc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)[nH]c2c1 ZINC000488531162 542714834 /nfs/dbraw/zinc/71/48/34/542714834.db2.gz YEFLBYJRLNSYMV-MRXNPFEDSA-N 2 2 298.365 3.168 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000460952565 392961845 /nfs/dbraw/zinc/96/18/45/392961845.db2.gz PTYAJSDZLAQPLC-CRAIPNDOSA-N 2 2 295.430 3.382 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)[nH+]c2c1 ZINC000460952565 392961853 /nfs/dbraw/zinc/96/18/53/392961853.db2.gz PTYAJSDZLAQPLC-CRAIPNDOSA-N 2 2 295.430 3.382 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000648437500 393015416 /nfs/dbraw/zinc/01/54/16/393015416.db2.gz YCNMXDZNWHBGSR-KGLIPLIRSA-N 2 2 287.407 3.043 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000466383839 393025517 /nfs/dbraw/zinc/02/55/17/393025517.db2.gz PDYZPSGZQDUNJY-QBPKDAKJSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000466383839 393025519 /nfs/dbraw/zinc/02/55/19/393025519.db2.gz PDYZPSGZQDUNJY-QBPKDAKJSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000546934486 393084006 /nfs/dbraw/zinc/08/40/06/393084006.db2.gz YDBDTKQWWJTIFH-HLLBOEOZSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000546934486 393084010 /nfs/dbraw/zinc/08/40/10/393084010.db2.gz YDBDTKQWWJTIFH-HLLBOEOZSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346802617 393095078 /nfs/dbraw/zinc/09/50/78/393095078.db2.gz DIKCFFWCNWNMGU-XQQFMLRXSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346802617 393095084 /nfs/dbraw/zinc/09/50/84/393095084.db2.gz DIKCFFWCNWNMGU-XQQFMLRXSA-N 2 2 252.427 3.190 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@H]1C[C@H]1C ZINC000414118805 393039079 /nfs/dbraw/zinc/03/90/79/393039079.db2.gz VUJVULNOUVGOBM-UNQGMJICSA-N 2 2 261.413 3.093 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546574168 393056883 /nfs/dbraw/zinc/05/68/83/393056883.db2.gz ZWKWLENTYWDWKI-MRXNPFEDSA-N 2 2 250.430 3.363 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546574168 393056889 /nfs/dbraw/zinc/05/68/89/393056889.db2.gz ZWKWLENTYWDWKI-MRXNPFEDSA-N 2 2 250.430 3.363 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952595 393061490 /nfs/dbraw/zinc/06/14/90/393061490.db2.gz KQQDFNCIXHFCTF-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000414957572 393064736 /nfs/dbraw/zinc/06/47/36/393064736.db2.gz QDCYCOKLZYTISK-KXBFYZLASA-N 2 2 280.415 3.267 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000414986448 393081250 /nfs/dbraw/zinc/08/12/50/393081250.db2.gz HHLZYOKVARDJNM-YCPHGPKFSA-N 2 2 282.378 3.069 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000415043976 393110697 /nfs/dbraw/zinc/11/06/97/393110697.db2.gz RUAVDGIJLIYYFD-GFCCVEGCSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415050883 393113296 /nfs/dbraw/zinc/11/32/96/393113296.db2.gz DPGVUPOAFJYRCK-INIZCTEOSA-N 2 2 272.392 3.410 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415050884 393113391 /nfs/dbraw/zinc/11/33/91/393113391.db2.gz DPGVUPOAFJYRCK-MRXNPFEDSA-N 2 2 272.392 3.410 20 0 CGADLP Clc1scc(C[NH2+]CCC[NH2+]C2CC2)c1Cl ZINC000415068362 393126184 /nfs/dbraw/zinc/12/61/84/393126184.db2.gz MTJSZAINCBALOQ-UHFFFAOYSA-N 2 2 279.236 3.287 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415086091 393139323 /nfs/dbraw/zinc/13/93/23/393139323.db2.gz UENIDTRENJLRKP-RYUDHWBXSA-N 2 2 281.469 3.233 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415088861 393140305 /nfs/dbraw/zinc/14/03/05/393140305.db2.gz YBPGCYKFKLYUGU-TZMCWYRMSA-N 2 2 264.438 3.201 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC000415129552 393153200 /nfs/dbraw/zinc/15/32/00/393153200.db2.gz UYIOXSXQGIMFBC-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC000415129552 393153208 /nfs/dbraw/zinc/15/32/08/393153208.db2.gz UYIOXSXQGIMFBC-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353498612 393223231 /nfs/dbraw/zinc/22/32/31/393223231.db2.gz AMNZIBBSQGRODC-SQWLQELKSA-N 2 2 268.420 3.121 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353498612 393223236 /nfs/dbraw/zinc/22/32/36/393223236.db2.gz AMNZIBBSQGRODC-SQWLQELKSA-N 2 2 268.420 3.121 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269796401 393233269 /nfs/dbraw/zinc/23/32/69/393233269.db2.gz BVBHPRMYEUXADS-INIZCTEOSA-N 2 2 294.389 3.415 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000087816117 285524172 /nfs/dbraw/zinc/52/41/72/285524172.db2.gz BCLMBQNIKQNUGQ-QGZVFWFLSA-N 2 2 283.419 3.231 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471588660 393285349 /nfs/dbraw/zinc/28/53/49/393285349.db2.gz YKKSRRMPQJWKQC-RYQLBKOJSA-N 2 2 292.467 3.329 20 0 CGADLP COCCCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000355287063 393293418 /nfs/dbraw/zinc/29/34/18/393293418.db2.gz HYYPPCZEKJZZHW-MRXNPFEDSA-N 2 2 273.380 3.057 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647207287 393388495 /nfs/dbraw/zinc/38/84/95/393388495.db2.gz ICRILLZZWKRLTL-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647207287 393388497 /nfs/dbraw/zinc/38/84/97/393388497.db2.gz ICRILLZZWKRLTL-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC(F)(F)[C@H](C)C2)c[nH+]1 ZINC000356255726 393397242 /nfs/dbraw/zinc/39/72/42/393397242.db2.gz IYFSUVKHHVIETG-GFCCVEGCSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@H](C)C2)c[nH+]1 ZINC000356255726 393397245 /nfs/dbraw/zinc/39/72/45/393397245.db2.gz IYFSUVKHHVIETG-GFCCVEGCSA-N 2 2 268.351 3.300 20 0 CGADLP CCSCC[NH2+]C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000355735470 393338297 /nfs/dbraw/zinc/33/82/97/393338297.db2.gz NRNBWPQCJLQZRU-INIZCTEOSA-N 2 2 280.481 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000417351276 393348744 /nfs/dbraw/zinc/34/87/44/393348744.db2.gz BXOUBSUTDLGLMK-IIYDPXPESA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000417351276 393348751 /nfs/dbraw/zinc/34/87/51/393348751.db2.gz BXOUBSUTDLGLMK-IIYDPXPESA-N 2 2 258.409 3.165 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[NH+](CC)CC ZINC000474875993 393354368 /nfs/dbraw/zinc/35/43/68/393354368.db2.gz IRTUIPFGZPLOPO-UHFFFAOYSA-N 2 2 266.404 3.210 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000474922784 393356712 /nfs/dbraw/zinc/35/67/12/393356712.db2.gz DKRFCAAFRBBXAI-ILXRZTDVSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419361131 393369013 /nfs/dbraw/zinc/36/90/13/393369013.db2.gz SQVUPKMZQAPYTG-WCVJEAGWSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419361131 393369021 /nfs/dbraw/zinc/36/90/21/393369021.db2.gz SQVUPKMZQAPYTG-WCVJEAGWSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419361131 393369022 /nfs/dbraw/zinc/36/90/22/393369022.db2.gz SQVUPKMZQAPYTG-WCVJEAGWSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419361131 393369027 /nfs/dbraw/zinc/36/90/27/393369027.db2.gz SQVUPKMZQAPYTG-WCVJEAGWSA-N 2 2 252.446 3.226 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000475101478 393372109 /nfs/dbraw/zinc/37/21/09/393372109.db2.gz DBJZQWPWPJEARB-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000475101478 393372115 /nfs/dbraw/zinc/37/21/15/393372115.db2.gz DBJZQWPWPJEARB-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000475101478 393372118 /nfs/dbraw/zinc/37/21/18/393372118.db2.gz DBJZQWPWPJEARB-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000475101478 393372126 /nfs/dbraw/zinc/37/21/26/393372126.db2.gz DBJZQWPWPJEARB-YOEHRIQHSA-N 2 2 292.854 3.428 20 0 CGADLP C[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)[N@H+](C)C1CC1 ZINC000356191199 393375459 /nfs/dbraw/zinc/37/54/59/393375459.db2.gz JKZIACZHOZHNFR-NSHDSACASA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)[N@@H+](C)C1CC1 ZINC000356191199 393375472 /nfs/dbraw/zinc/37/54/72/393375472.db2.gz JKZIACZHOZHNFR-NSHDSACASA-N 2 2 284.806 3.094 20 0 CGADLP FC1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000647253031 393415750 /nfs/dbraw/zinc/41/57/50/393415750.db2.gz JSGDTOHCWBXZPH-UHFFFAOYSA-N 2 2 287.382 3.490 20 0 CGADLP CCCCc1nc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cs1 ZINC000649417143 393416941 /nfs/dbraw/zinc/41/69/41/393416941.db2.gz YXXPWKGDSFIGDS-GXTWGEPZSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cs1 ZINC000649417143 393416947 /nfs/dbraw/zinc/41/69/47/393416947.db2.gz YXXPWKGDSFIGDS-GXTWGEPZSA-N 2 2 281.469 3.045 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC4(CC4)CC3)cn21 ZINC000647262660 393420785 /nfs/dbraw/zinc/42/07/85/393420785.db2.gz JAOJRQZYEUWADA-UHFFFAOYSA-N 2 2 283.419 3.498 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385844 393480759 /nfs/dbraw/zinc/48/07/59/393480759.db2.gz FJOLEQKGIOLLCH-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385844 393480762 /nfs/dbraw/zinc/48/07/62/393480762.db2.gz FJOLEQKGIOLLCH-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)n1cc[nH+]c1CN(C)CC[NH+](C(C)C)C(C)C ZINC000356391351 393434128 /nfs/dbraw/zinc/43/41/28/393434128.db2.gz PTEZRZSBOBAYFT-UHFFFAOYSA-N 2 2 280.460 3.015 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)C[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000420185789 393434662 /nfs/dbraw/zinc/43/46/62/393434662.db2.gz LQTKNVJHBWTHQD-UHFFFAOYSA-N 2 2 282.391 3.298 20 0 CGADLP C[NH2+]C[C@H](C)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000420207608 393437354 /nfs/dbraw/zinc/43/73/54/393437354.db2.gz QIHXAFHSXFLVIV-JTQLQIEISA-N 2 2 263.772 3.156 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000484302675 393445524 /nfs/dbraw/zinc/44/55/24/393445524.db2.gz QNVUMFQYOZFFDY-NHIYQJMISA-N 2 2 252.446 3.416 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000484302675 393445529 /nfs/dbraw/zinc/44/55/29/393445529.db2.gz QNVUMFQYOZFFDY-NHIYQJMISA-N 2 2 252.446 3.416 20 0 CGADLP Nc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000420370849 393476435 /nfs/dbraw/zinc/47/64/35/393476435.db2.gz ZGXYZSYWBLFUMC-UHFFFAOYSA-N 2 2 298.434 3.158 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)C1CCCCC1 ZINC000420375159 393478485 /nfs/dbraw/zinc/47/84/85/393478485.db2.gz SRZZCSDXQKKUBS-GOSISDBHSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578021 393485517 /nfs/dbraw/zinc/48/55/17/393485517.db2.gz RJFXPIPFWJVUKD-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578021 393485520 /nfs/dbraw/zinc/48/55/20/393485520.db2.gz RJFXPIPFWJVUKD-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488428231 393509780 /nfs/dbraw/zinc/50/97/80/393509780.db2.gz YVNDIAUIYVVFNY-XHSDSOJGSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488428231 393509781 /nfs/dbraw/zinc/50/97/81/393509781.db2.gz YVNDIAUIYVVFNY-XHSDSOJGSA-N 2 2 284.513 3.371 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC(F)(F)C3)c[nH+]c12 ZINC000430036810 393514014 /nfs/dbraw/zinc/51/40/14/393514014.db2.gz GBPXIBAGVCLVKW-GFCCVEGCSA-N 2 2 279.334 3.168 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c[nH+]c2c1 ZINC000430081614 393519147 /nfs/dbraw/zinc/51/91/47/393519147.db2.gz BXVFGTXVLUJAPV-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1ccn2c(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)c[nH+]c2c1 ZINC000430081614 393519149 /nfs/dbraw/zinc/51/91/49/393519149.db2.gz BXVFGTXVLUJAPV-HIFRSBDPSA-N 2 2 291.345 3.120 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488451776 393519878 /nfs/dbraw/zinc/51/98/78/393519878.db2.gz FNMZLUVYHSVBBF-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488451776 393519882 /nfs/dbraw/zinc/51/98/82/393519882.db2.gz FNMZLUVYHSVBBF-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)CCC2 ZINC000358573092 393526174 /nfs/dbraw/zinc/52/61/74/393526174.db2.gz QQQMWGABXBDHQL-QCEMKRCNSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1ccoc1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000430195125 393535812 /nfs/dbraw/zinc/53/58/12/393535812.db2.gz NBAWSYKLESQYKO-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1ccoc1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000430195125 393535816 /nfs/dbraw/zinc/53/58/16/393535816.db2.gz NBAWSYKLESQYKO-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430556243 393575327 /nfs/dbraw/zinc/57/53/27/393575327.db2.gz KLOVDDRDRAVJOV-ZDUSSCGKSA-N 2 2 287.407 3.319 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430556243 393575332 /nfs/dbraw/zinc/57/53/32/393575332.db2.gz KLOVDDRDRAVJOV-ZDUSSCGKSA-N 2 2 287.407 3.319 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666753802 542812921 /nfs/dbraw/zinc/81/29/21/542812921.db2.gz NGMMDRHFSAKIHC-UHFFFAOYSA-N 2 2 291.826 3.495 20 0 CGADLP Clc1ccc2cccnc2c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770171 542814992 /nfs/dbraw/zinc/81/49/92/542814992.db2.gz OAHOZWUNAMFVAI-ZDUSSCGKSA-N 2 2 289.810 3.120 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360858722 393599881 /nfs/dbraw/zinc/59/98/81/393599881.db2.gz LYUMXALHRTYIBB-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360858722 393599886 /nfs/dbraw/zinc/59/98/86/393599886.db2.gz LYUMXALHRTYIBB-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+](CC[NH+]1CCC2(CC2(F)F)CC1)Cc1ccccc1 ZINC000649773207 393580869 /nfs/dbraw/zinc/58/08/69/393580869.db2.gz KKAFGZJMWAAZMF-UHFFFAOYSA-N 2 2 294.389 3.240 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000430628581 393581907 /nfs/dbraw/zinc/58/19/07/393581907.db2.gz OPYGTVLLEPGRCP-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000430628581 393581916 /nfs/dbraw/zinc/58/19/16/393581916.db2.gz OPYGTVLLEPGRCP-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000360769866 393585784 /nfs/dbraw/zinc/58/57/84/393585784.db2.gz CUEBKTXEZFLNLA-ILXRZTDVSA-N 2 2 271.408 3.496 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@@H+]1C1CC1 ZINC000491388505 393685027 /nfs/dbraw/zinc/68/50/27/393685027.db2.gz KKFULWYGLPCCKI-KDOFPFPSSA-N 2 2 284.447 3.280 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@H+]1C1CC1 ZINC000491388505 393685030 /nfs/dbraw/zinc/68/50/30/393685030.db2.gz KKFULWYGLPCCKI-KDOFPFPSSA-N 2 2 284.447 3.280 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000361006065 393637549 /nfs/dbraw/zinc/63/75/49/393637549.db2.gz ZTIUIUCGCYCOLS-PMPSAXMXSA-N 2 2 282.472 3.043 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC3 ZINC000491366803 393682934 /nfs/dbraw/zinc/68/29/34/393682934.db2.gz JLOXODFIMHWONB-CQSZACIVSA-N 2 2 299.462 3.263 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000361034455 393651207 /nfs/dbraw/zinc/65/12/07/393651207.db2.gz WYLXMFYLCZUFFE-VNHYZAJKSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000361034455 393651211 /nfs/dbraw/zinc/65/12/11/393651211.db2.gz WYLXMFYLCZUFFE-VNHYZAJKSA-N 2 2 266.454 3.142 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000423185441 393653462 /nfs/dbraw/zinc/65/34/62/393653462.db2.gz JKWAQGPQUCCQGS-UKRRQHHQSA-N 2 2 276.449 3.182 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000423261577 393656394 /nfs/dbraw/zinc/65/63/94/393656394.db2.gz KESNKSSWDOIDII-RYUDHWBXSA-N 2 2 254.805 3.364 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423270504 393657000 /nfs/dbraw/zinc/65/70/00/393657000.db2.gz GLENLQZEPPXZKQ-STQMWFEESA-N 2 2 282.840 3.204 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1Br ZINC000423282408 393659098 /nfs/dbraw/zinc/65/90/98/393659098.db2.gz VZCYUCBYPDBCRJ-UONOGXRCSA-N 2 2 299.256 3.473 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423300358 393660231 /nfs/dbraw/zinc/66/02/31/393660231.db2.gz RJRXQIXKIKDFQK-PWSUYJOCSA-N 2 2 256.340 3.133 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1Br ZINC000423314462 393661500 /nfs/dbraw/zinc/66/15/00/393661500.db2.gz HHMPZRQLCWZZIV-ZIAGYGMSSA-N 2 2 297.240 3.227 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000492419450 393732296 /nfs/dbraw/zinc/73/22/96/393732296.db2.gz VKNYINCURFTDCD-ADEWGFFLSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000492419450 393732300 /nfs/dbraw/zinc/73/23/00/393732300.db2.gz VKNYINCURFTDCD-ADEWGFFLSA-N 2 2 284.856 3.319 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000500116020 393817934 /nfs/dbraw/zinc/81/79/34/393817934.db2.gz BAYZEWMQPTVBEK-IXDOHACOSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000500116020 393817937 /nfs/dbraw/zinc/81/79/37/393817937.db2.gz BAYZEWMQPTVBEK-IXDOHACOSA-N 2 2 296.499 3.148 20 0 CGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501877227 393863610 /nfs/dbraw/zinc/86/36/10/393863610.db2.gz RFMIIHUZLRMBAZ-RBUKOAKNSA-N 2 2 286.463 3.473 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1cccnc1 ZINC000447590139 393865785 /nfs/dbraw/zinc/86/57/85/393865785.db2.gz AHHQFSVFIFCLAU-QZTJIDSGSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1cccnc1 ZINC000447590139 393865788 /nfs/dbraw/zinc/86/57/88/393865788.db2.gz AHHQFSVFIFCLAU-QZTJIDSGSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[NH+](C(C)C)CC3)[nH+]c2c1 ZINC000502093072 393868982 /nfs/dbraw/zinc/86/89/82/393868982.db2.gz ZZVAISIZULQREE-UHFFFAOYSA-N 2 2 283.419 3.382 20 0 CGADLP Clc1cscc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968916 542830629 /nfs/dbraw/zinc/83/06/29/542830629.db2.gz IOYYJCIBTSJEJL-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968916 542830633 /nfs/dbraw/zinc/83/06/33/542830633.db2.gz IOYYJCIBTSJEJL-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997154 542834591 /nfs/dbraw/zinc/83/45/91/542834591.db2.gz ZHSSHDCEKAEXFU-GFCCVEGCSA-N 2 2 282.790 3.243 20 0 CGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667462818 542870657 /nfs/dbraw/zinc/87/06/57/542870657.db2.gz VTFVJHFWLGVYCM-KRWDZBQOSA-N 2 2 297.402 3.175 20 0 CGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667462818 542870660 /nfs/dbraw/zinc/87/06/60/542870660.db2.gz VTFVJHFWLGVYCM-KRWDZBQOSA-N 2 2 297.402 3.175 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000453119204 394177975 /nfs/dbraw/zinc/17/79/75/394177975.db2.gz LYGQVCRLYPCDMR-HNNXBMFYSA-N 2 2 280.460 3.063 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000453253554 394221998 /nfs/dbraw/zinc/22/19/98/394221998.db2.gz IQJLQLNMOQXOII-PBFPGSCMSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000453253554 394222004 /nfs/dbraw/zinc/22/20/04/394222004.db2.gz IQJLQLNMOQXOII-PBFPGSCMSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000667490768 542876176 /nfs/dbraw/zinc/87/61/76/542876176.db2.gz PBFDUCFVLNNROM-UHFFFAOYSA-N 2 2 285.366 3.157 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000667490768 542876178 /nfs/dbraw/zinc/87/61/78/542876178.db2.gz PBFDUCFVLNNROM-UHFFFAOYSA-N 2 2 285.366 3.157 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1C1CCCCC1)CCC2 ZINC000667503074 542880913 /nfs/dbraw/zinc/88/09/13/542880913.db2.gz YYPKAIFQHXBKGW-INIZCTEOSA-N 2 2 273.424 3.374 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1C1CCCCC1)CCC2 ZINC000667503074 542880915 /nfs/dbraw/zinc/88/09/15/542880915.db2.gz YYPKAIFQHXBKGW-INIZCTEOSA-N 2 2 273.424 3.374 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1F ZINC000667533531 542886340 /nfs/dbraw/zinc/88/63/40/542886340.db2.gz VOKSSUPAUSOUON-NSHDSACASA-N 2 2 295.308 3.207 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1F ZINC000667533531 542886345 /nfs/dbraw/zinc/88/63/45/542886345.db2.gz VOKSSUPAUSOUON-NSHDSACASA-N 2 2 295.308 3.207 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccccc3F)CC2)n1C ZINC000667657676 542908431 /nfs/dbraw/zinc/90/84/31/542908431.db2.gz MVVAEMGSKKTMNI-UHFFFAOYSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)n1C ZINC000667601930 542897339 /nfs/dbraw/zinc/89/73/39/542897339.db2.gz NLPRDQIXUQGJJS-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)n1C ZINC000667601930 542897343 /nfs/dbraw/zinc/89/73/43/542897343.db2.gz NLPRDQIXUQGJJS-KRWDZBQOSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)n1C ZINC000667648080 542904201 /nfs/dbraw/zinc/90/42/01/542904201.db2.gz LFKOUXZWJGBBNV-CZUORRHYSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)n1C ZINC000667648080 542904204 /nfs/dbraw/zinc/90/42/04/542904204.db2.gz LFKOUXZWJGBBNV-CZUORRHYSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H](c2ccco2)C1 ZINC000667683051 542915490 /nfs/dbraw/zinc/91/54/90/542915490.db2.gz CZXCUGLKXMUHPW-ZFWWWQNUSA-N 2 2 285.391 3.396 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H](c2ccco2)C1 ZINC000667683051 542915494 /nfs/dbraw/zinc/91/54/94/542915494.db2.gz CZXCUGLKXMUHPW-ZFWWWQNUSA-N 2 2 285.391 3.396 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc21 ZINC000667705314 542919979 /nfs/dbraw/zinc/91/99/79/542919979.db2.gz AZSVEQKPAOZOIL-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705314 542919984 /nfs/dbraw/zinc/91/99/84/542919984.db2.gz AZSVEQKPAOZOIL-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc21 ZINC000667705314 542919986 /nfs/dbraw/zinc/91/99/86/542919986.db2.gz AZSVEQKPAOZOIL-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc21 ZINC000667705314 542919990 /nfs/dbraw/zinc/91/99/90/542919990.db2.gz AZSVEQKPAOZOIL-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000667658462 542909526 /nfs/dbraw/zinc/90/95/26/542909526.db2.gz HOYZXPGXIRLJGN-SWLSCSKDSA-N 2 2 287.382 3.246 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1C ZINC000667658462 542909529 /nfs/dbraw/zinc/90/95/29/542909529.db2.gz HOYZXPGXIRLJGN-SWLSCSKDSA-N 2 2 287.382 3.246 20 0 CGADLP CCC1(CC)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668006762 542957117 /nfs/dbraw/zinc/95/71/17/542957117.db2.gz CEHKPOLTDLCHFE-UHFFFAOYSA-N 2 2 261.413 3.232 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1C ZINC000668239843 542996240 /nfs/dbraw/zinc/99/62/40/542996240.db2.gz SKUGIOQGYSKBSG-GOSISDBHSA-N 2 2 295.430 3.498 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1C ZINC000668239843 542996244 /nfs/dbraw/zinc/99/62/44/542996244.db2.gz SKUGIOQGYSKBSG-GOSISDBHSA-N 2 2 295.430 3.498 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000668458532 543014922 /nfs/dbraw/zinc/01/49/22/543014922.db2.gz FFGBFXPNSAEEQA-YESZJQIVSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000668458532 543014925 /nfs/dbraw/zinc/01/49/25/543014925.db2.gz FFGBFXPNSAEEQA-YESZJQIVSA-N 2 2 272.436 3.253 20 0 CGADLP COCC1([NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000668810974 543065275 /nfs/dbraw/zinc/06/52/75/543065275.db2.gz KVIILQKHSKEPKW-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC34CCC4)[nH+]c12 ZINC000669700452 543119963 /nfs/dbraw/zinc/11/99/63/543119963.db2.gz IFGPITGTBPAHMP-OAHLLOKOSA-N 2 2 269.392 3.108 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262997 543145851 /nfs/dbraw/zinc/14/58/51/543145851.db2.gz RDCFSHDBXIILFK-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262997 543145853 /nfs/dbraw/zinc/14/58/53/543145853.db2.gz RDCFSHDBXIILFK-GJZGRUSLSA-N 2 2 252.446 3.229 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811279 397725908 /nfs/dbraw/zinc/72/59/08/397725908.db2.gz LOPMQBAFVYDNLA-QGZVFWFLSA-N 2 2 270.420 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811279 397725911 /nfs/dbraw/zinc/72/59/11/397725911.db2.gz LOPMQBAFVYDNLA-QGZVFWFLSA-N 2 2 270.420 3.183 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000390911231 397692863 /nfs/dbraw/zinc/69/28/63/397692863.db2.gz YBSNDNNLLXUSKB-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000390911231 397692865 /nfs/dbraw/zinc/69/28/65/397692865.db2.gz YBSNDNNLLXUSKB-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674304092 543280540 /nfs/dbraw/zinc/28/05/40/543280540.db2.gz QATYYDGBEOLXPB-ZBFHGGJFSA-N 2 2 285.391 3.290 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674304092 543280543 /nfs/dbraw/zinc/28/05/43/543280543.db2.gz QATYYDGBEOLXPB-ZBFHGGJFSA-N 2 2 285.391 3.290 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710105 397898109 /nfs/dbraw/zinc/89/81/09/397898109.db2.gz DUQHWAGZGQWGEP-INIZCTEOSA-N 2 2 299.418 3.337 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000675495453 543343798 /nfs/dbraw/zinc/34/37/98/543343798.db2.gz GUXXXDQJKUGJIV-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000675495453 543343802 /nfs/dbraw/zinc/34/38/02/543343802.db2.gz GUXXXDQJKUGJIV-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000675548274 543346384 /nfs/dbraw/zinc/34/63/84/543346384.db2.gz KFMSWCVNNGZIBE-NWDGAFQWSA-N 2 2 276.428 3.077 20 0 CGADLP Cc1nc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000675548274 543346385 /nfs/dbraw/zinc/34/63/85/543346385.db2.gz KFMSWCVNNGZIBE-NWDGAFQWSA-N 2 2 276.428 3.077 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765451 543361879 /nfs/dbraw/zinc/36/18/79/543361879.db2.gz GXPMCJJVCYXFBG-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765451 543361882 /nfs/dbraw/zinc/36/18/82/543361882.db2.gz GXPMCJJVCYXFBG-BEFAXECRSA-N 2 2 295.430 3.493 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000675768057 543363087 /nfs/dbraw/zinc/36/30/87/543363087.db2.gz WJNLVXWDPUGHQL-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000675768057 543363088 /nfs/dbraw/zinc/36/30/88/543363088.db2.gz WJNLVXWDPUGHQL-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675752645 543360560 /nfs/dbraw/zinc/36/05/60/543360560.db2.gz JIOHYLKHIUPPAI-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675833371 543368280 /nfs/dbraw/zinc/36/82/80/543368280.db2.gz MSYSCUKLTOHDEG-MAUKXSAKSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675833371 543368283 /nfs/dbraw/zinc/36/82/83/543368283.db2.gz MSYSCUKLTOHDEG-MAUKXSAKSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833802 543368585 /nfs/dbraw/zinc/36/85/85/543368585.db2.gz PDZBFKVBWKQBBD-IFXJQAMLSA-N 2 2 284.447 3.310 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833802 543368586 /nfs/dbraw/zinc/36/85/86/543368586.db2.gz PDZBFKVBWKQBBD-IFXJQAMLSA-N 2 2 284.447 3.310 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000675833235 543368610 /nfs/dbraw/zinc/36/86/10/543368610.db2.gz HZTXUMKEYNHIFB-MAUKXSAKSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000675833235 543368611 /nfs/dbraw/zinc/36/86/11/543368611.db2.gz HZTXUMKEYNHIFB-MAUKXSAKSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834670 543368954 /nfs/dbraw/zinc/36/89/54/543368954.db2.gz XVBLYNUGSKGCNA-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834670 543368956 /nfs/dbraw/zinc/36/89/56/543368956.db2.gz XVBLYNUGSKGCNA-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP CC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920899 543373480 /nfs/dbraw/zinc/37/34/80/543373480.db2.gz LCCGPLFOFHVHCW-UKRRQHHQSA-N 2 2 257.381 3.092 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000675929845 543374911 /nfs/dbraw/zinc/37/49/11/543374911.db2.gz ASESEECHPQEOJJ-QIIPPGSGSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CC2 ZINC000675929845 543374913 /nfs/dbraw/zinc/37/49/13/543374913.db2.gz ASESEECHPQEOJJ-QIIPPGSGSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479382 543398809 /nfs/dbraw/zinc/39/88/09/543398809.db2.gz SNBOWRQNAOLIEO-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479382 543398813 /nfs/dbraw/zinc/39/88/13/543398813.db2.gz SNBOWRQNAOLIEO-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000677130310 543434706 /nfs/dbraw/zinc/43/47/06/543434706.db2.gz UJLUZIDHGPRMPN-MRXNPFEDSA-N 2 2 291.345 3.219 20 0 CGADLP CCOC1CC(C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC000509139813 286011183 /nfs/dbraw/zinc/01/11/83/286011183.db2.gz PQIUJNUFGVEFFC-UHFFFAOYSA-N 2 2 296.499 3.388 20 0 CGADLP CCOC1CC(C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)C1 ZINC000509139813 286011184 /nfs/dbraw/zinc/01/11/84/286011184.db2.gz PQIUJNUFGVEFFC-UHFFFAOYSA-N 2 2 296.499 3.388 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188781 543492344 /nfs/dbraw/zinc/49/23/44/543492344.db2.gz LLPXZIXUTBGJJP-GJZGRUSLSA-N 2 2 297.402 3.155 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188781 543492346 /nfs/dbraw/zinc/49/23/46/543492346.db2.gz LLPXZIXUTBGJJP-GJZGRUSLSA-N 2 2 297.402 3.155 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340876 543516159 /nfs/dbraw/zinc/51/61/59/543516159.db2.gz SAWMGHODWNVSMN-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340876 543516160 /nfs/dbraw/zinc/51/61/60/543516160.db2.gz SAWMGHODWNVSMN-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340876 543516161 /nfs/dbraw/zinc/51/61/61/543516161.db2.gz SAWMGHODWNVSMN-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCCOc3ccccc32)[nH+]c1 ZINC000163836793 296615497 /nfs/dbraw/zinc/61/54/97/296615497.db2.gz OFEVDJWVUAHORP-MRXNPFEDSA-N 2 2 297.402 3.387 20 0 CGADLP Cc1cc([C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)ccc1F ZINC000678683447 543549050 /nfs/dbraw/zinc/54/90/50/543549050.db2.gz HJDCIEBHOWADIL-QGZVFWFLSA-N 2 2 276.399 3.271 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678822881 543563602 /nfs/dbraw/zinc/56/36/02/543563602.db2.gz KBSGPXLMQILCHE-RDJZCZTQSA-N 2 2 299.418 3.332 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678822881 543563604 /nfs/dbraw/zinc/56/36/04/543563604.db2.gz KBSGPXLMQILCHE-RDJZCZTQSA-N 2 2 299.418 3.332 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C2CCCC2)o1 ZINC000423450138 292260643 /nfs/dbraw/zinc/26/06/43/292260643.db2.gz SKYVBMUDUPSMEV-TYNCELHUSA-N 2 2 250.386 3.145 20 0 CGADLP COCC1CCC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000449136303 292263614 /nfs/dbraw/zinc/26/36/14/292263614.db2.gz UVFSHDOHKPAQHX-JUVOFCAFSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1nc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000075860659 287029806 /nfs/dbraw/zinc/02/98/06/287029806.db2.gz JXUPHHDHOVJSSM-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)s1 ZINC000075860659 287029810 /nfs/dbraw/zinc/02/98/10/287029810.db2.gz JXUPHHDHOVJSSM-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000075860659 287029812 /nfs/dbraw/zinc/02/98/12/287029812.db2.gz JXUPHHDHOVJSSM-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000075860659 287029816 /nfs/dbraw/zinc/02/98/16/287029816.db2.gz JXUPHHDHOVJSSM-CQSZACIVSA-N 2 2 281.469 3.066 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000066182794 165033825 /nfs/dbraw/zinc/03/38/25/165033825.db2.gz PQJQZKIBLLPNOI-INIZCTEOSA-N 2 2 268.404 3.469 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000066182794 165033826 /nfs/dbraw/zinc/03/38/26/165033826.db2.gz PQJQZKIBLLPNOI-INIZCTEOSA-N 2 2 268.404 3.469 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000070100518 165055667 /nfs/dbraw/zinc/05/56/67/165055667.db2.gz FSDSHRTYQMYECR-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000070100518 165055671 /nfs/dbraw/zinc/05/56/71/165055671.db2.gz FSDSHRTYQMYECR-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000090050929 165225775 /nfs/dbraw/zinc/22/57/75/165225775.db2.gz PTGQSPIAFJRRNP-LZWOXQAQSA-N 2 2 283.419 3.284 20 0 CGADLP CSCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075309 165253790 /nfs/dbraw/zinc/25/37/90/165253790.db2.gz WJVJCLKEYPFNGF-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP CSCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075309 165253793 /nfs/dbraw/zinc/25/37/93/165253793.db2.gz WJVJCLKEYPFNGF-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000091669310 165265815 /nfs/dbraw/zinc/26/58/15/165265815.db2.gz XTWYUZAFVXEGQA-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960562 165278121 /nfs/dbraw/zinc/27/81/21/165278121.db2.gz YYAWSFJISFZNHV-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960562 165278123 /nfs/dbraw/zinc/27/81/23/165278123.db2.gz YYAWSFJISFZNHV-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C(C)C)cc1 ZINC000091333680 287107661 /nfs/dbraw/zinc/10/76/61/287107661.db2.gz JGGCPWYYKGWJJA-KBXCAEBGSA-N 2 2 290.451 3.465 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000091333680 287107662 /nfs/dbraw/zinc/10/76/62/287107662.db2.gz JGGCPWYYKGWJJA-KBXCAEBGSA-N 2 2 290.451 3.465 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000092587775 165301428 /nfs/dbraw/zinc/30/14/28/165301428.db2.gz QNBTXGBDUORAQF-INIZCTEOSA-N 2 2 276.424 3.224 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000092587775 165301431 /nfs/dbraw/zinc/30/14/31/165301431.db2.gz QNBTXGBDUORAQF-INIZCTEOSA-N 2 2 276.424 3.224 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cccnc2)[NH+](C)C)cc1 ZINC000092742591 165311940 /nfs/dbraw/zinc/31/19/40/165311940.db2.gz JYKBTYWUSDDFQV-QAPCUYQASA-N 2 2 283.419 3.344 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094517875 165352600 /nfs/dbraw/zinc/35/26/00/165352600.db2.gz ZKLVCAAYTCMXKK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094517875 165352603 /nfs/dbraw/zinc/35/26/03/165352603.db2.gz ZKLVCAAYTCMXKK-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(C)cs1 ZINC000119080296 287164664 /nfs/dbraw/zinc/16/46/64/287164664.db2.gz DIMZOOOEMOBUGD-CQSZACIVSA-N 2 2 281.469 3.368 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128794 171016738 /nfs/dbraw/zinc/01/67/38/171016738.db2.gz LUYLLCNHRAWCSW-AWEZNQCLSA-N 2 2 250.386 3.115 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020189077 171054753 /nfs/dbraw/zinc/05/47/53/171054753.db2.gz FSWMGICVSBONPH-CQSZACIVSA-N 2 2 276.424 3.219 20 0 CGADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000020506120 171228399 /nfs/dbraw/zinc/22/83/99/171228399.db2.gz FYJVBYRSEQVCIT-MRXNPFEDSA-N 2 2 257.381 3.404 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000020561318 171252018 /nfs/dbraw/zinc/25/20/18/171252018.db2.gz FTUNIKSAAGBKJS-OIISXLGYSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407816 196274881 /nfs/dbraw/zinc/27/48/81/196274881.db2.gz FPSVRSJVJVQXJU-CZUORRHYSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407816 196274883 /nfs/dbraw/zinc/27/48/83/196274883.db2.gz FPSVRSJVJVQXJU-CZUORRHYSA-N 2 2 283.419 3.191 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037320319 173121104 /nfs/dbraw/zinc/12/11/04/173121104.db2.gz ILLCSINXNUEIGB-GHMZBOCLSA-N 2 2 281.762 3.415 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038029055 174018857 /nfs/dbraw/zinc/01/88/57/174018857.db2.gz HVNMVLLVBNUMIT-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000041119675 174486037 /nfs/dbraw/zinc/48/60/37/174486037.db2.gz HJKWUULPMZHMHQ-CYBMUJFWSA-N 2 2 293.823 3.363 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127886188 287298153 /nfs/dbraw/zinc/29/81/53/287298153.db2.gz IDBBJKIWJZZDNM-STQMWFEESA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127886188 287298155 /nfs/dbraw/zinc/29/81/55/287298155.db2.gz IDBBJKIWJZZDNM-STQMWFEESA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071206558 176080618 /nfs/dbraw/zinc/08/06/18/176080618.db2.gz MNIYKMUDRDNRBA-CJNGLKHVSA-N 2 2 255.365 3.151 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000679444112 543636898 /nfs/dbraw/zinc/63/68/98/543636898.db2.gz QQAPCSXIDPJILB-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000679444112 543636900 /nfs/dbraw/zinc/63/69/00/543636900.db2.gz QQAPCSXIDPJILB-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584653 543649790 /nfs/dbraw/zinc/64/97/90/543649790.db2.gz XNBRRXSRCVNYDU-VXGBXAGGSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584653 543649792 /nfs/dbraw/zinc/64/97/92/543649792.db2.gz XNBRRXSRCVNYDU-VXGBXAGGSA-N 2 2 297.324 3.497 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC(C)(C)C3)[nH+]c12 ZINC000680341633 543700440 /nfs/dbraw/zinc/70/04/40/543700440.db2.gz AKZFNBBHNSGMCP-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000681402844 543786580 /nfs/dbraw/zinc/78/65/80/543786580.db2.gz UXNYGSMHIMEEIY-KRWDZBQOSA-N 2 2 297.402 3.101 20 0 CGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000681402844 543786582 /nfs/dbraw/zinc/78/65/82/543786582.db2.gz UXNYGSMHIMEEIY-KRWDZBQOSA-N 2 2 297.402 3.101 20 0 CGADLP C[C@H]([NH2+]CC[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000681474149 543789221 /nfs/dbraw/zinc/78/92/21/543789221.db2.gz JPEUFXGXXHQBIJ-HNNXBMFYSA-N 2 2 260.425 3.038 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC34CCCC4)[nH+]c12 ZINC000682734030 543863729 /nfs/dbraw/zinc/86/37/29/543863729.db2.gz WMKOGOOVVCHQNS-MRXNPFEDSA-N 2 2 283.419 3.498 20 0 CGADLP COC(C)(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000683010501 543887658 /nfs/dbraw/zinc/88/76/58/543887658.db2.gz CWWSIFURSIPRFZ-UHFFFAOYSA-N 2 2 287.407 3.038 20 0 CGADLP COC(C)(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000683010501 543887661 /nfs/dbraw/zinc/88/76/61/543887661.db2.gz CWWSIFURSIPRFZ-UHFFFAOYSA-N 2 2 287.407 3.038 20 0 CGADLP CCO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000683011172 543888724 /nfs/dbraw/zinc/88/87/24/543888724.db2.gz NMUMWVHWLSRHSD-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CCO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000683011172 543888728 /nfs/dbraw/zinc/88/87/28/543888728.db2.gz NMUMWVHWLSRHSD-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000683705017 543934316 /nfs/dbraw/zinc/93/43/16/543934316.db2.gz IKRMRTDNXVRBSI-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000683705017 543934317 /nfs/dbraw/zinc/93/43/17/543934317.db2.gz IKRMRTDNXVRBSI-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(Cl)o2)c[nH+]1 ZINC000684368093 543986618 /nfs/dbraw/zinc/98/66/18/543986618.db2.gz CPBFKCJDODDBTC-UHFFFAOYSA-N 2 2 264.756 3.359 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000684374723 543988570 /nfs/dbraw/zinc/98/85/70/543988570.db2.gz UKLRWABRNPCFNK-RCCFBDPRSA-N 2 2 290.451 3.145 20 0 CGADLP CCn1c[nH+]cc1C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000417931647 227218509 /nfs/dbraw/zinc/21/85/09/227218509.db2.gz PXDUYMSUUYMHDJ-CQSZACIVSA-N 2 2 278.425 3.083 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(C)(C)OC(C)(C)C2)c[nH+]1 ZINC000354925162 227241347 /nfs/dbraw/zinc/24/13/47/227241347.db2.gz PMFHSXIYUKGKGD-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664677527 418993101 /nfs/dbraw/zinc/99/31/01/418993101.db2.gz AMWGJCDGCULMHZ-HNNXBMFYSA-N 2 2 298.434 3.107 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664677527 418993105 /nfs/dbraw/zinc/99/31/05/418993105.db2.gz AMWGJCDGCULMHZ-HNNXBMFYSA-N 2 2 298.434 3.107 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000665251470 419093641 /nfs/dbraw/zinc/09/36/41/419093641.db2.gz PRLPHANECNVBPQ-FSPWUOQZSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000665254139 419094447 /nfs/dbraw/zinc/09/44/47/419094447.db2.gz IPLMWVPCBNBVHU-FSPWUOQZSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccsc2S1 ZINC000665277807 419099271 /nfs/dbraw/zinc/09/92/71/419099271.db2.gz MGJNIUHWFALASY-LWACRWBVSA-N 2 2 280.462 3.015 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278792 419100610 /nfs/dbraw/zinc/10/06/10/419100610.db2.gz OWGZEVXHQIIHAU-YWCUFVOSSA-N 2 2 276.811 3.059 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc2c1 ZINC000665280056 419100747 /nfs/dbraw/zinc/10/07/47/419100747.db2.gz RZYCSTHPQJMSED-POZPTJLLSA-N 2 2 270.376 3.144 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000653876240 419102160 /nfs/dbraw/zinc/10/21/60/419102160.db2.gz GGDPPUKVHVLWAX-ROUUACIJSA-N 2 2 299.418 3.310 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000665294028 419106856 /nfs/dbraw/zinc/10/68/56/419106856.db2.gz HAILCGRNTHRFNO-STQMWFEESA-N 2 2 272.392 3.107 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000665294027 419107571 /nfs/dbraw/zinc/10/75/71/419107571.db2.gz HAILCGRNTHRFNO-QWHCGFSZSA-N 2 2 272.392 3.107 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000665295661 419108392 /nfs/dbraw/zinc/10/83/92/419108392.db2.gz HITOIIVZYXFPDF-YGRLFVJLSA-N 2 2 297.240 3.098 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665296488 419108965 /nfs/dbraw/zinc/10/89/65/419108965.db2.gz TWXROTVPFXYHIQ-NWDGAFQWSA-N 2 2 260.381 3.254 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000665297151 419110220 /nfs/dbraw/zinc/11/02/20/419110220.db2.gz ACMKBGJICOJGDA-CQSZACIVSA-N 2 2 280.415 3.072 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000655847911 419118782 /nfs/dbraw/zinc/11/87/82/419118782.db2.gz FTQCYWVXDQYOBP-IPMKNSEASA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000655847911 419118786 /nfs/dbraw/zinc/11/87/86/419118786.db2.gz FTQCYWVXDQYOBP-IPMKNSEASA-N 2 2 284.447 3.150 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848667 419119312 /nfs/dbraw/zinc/11/93/12/419119312.db2.gz JUSPRRCCGHJKPP-AGIUHOORSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848667 419119315 /nfs/dbraw/zinc/11/93/15/419119315.db2.gz JUSPRRCCGHJKPP-AGIUHOORSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000655849043 419120479 /nfs/dbraw/zinc/12/04/79/419120479.db2.gz LZDCQZUHASIKMU-NWANDNLSSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000655849043 419120482 /nfs/dbraw/zinc/12/04/82/419120482.db2.gz LZDCQZUHASIKMU-NWANDNLSSA-N 2 2 264.438 3.416 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000655855830 419122440 /nfs/dbraw/zinc/12/24/40/419122440.db2.gz JDAFEPLAUDXRIK-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000655855830 419122443 /nfs/dbraw/zinc/12/24/43/419122443.db2.gz JDAFEPLAUDXRIK-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655855929 419123177 /nfs/dbraw/zinc/12/31/77/419123177.db2.gz JCBHUNLAGGDTPM-HOTGVXAUSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655855929 419123180 /nfs/dbraw/zinc/12/31/80/419123180.db2.gz JCBHUNLAGGDTPM-HOTGVXAUSA-N 2 2 278.827 3.447 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653578331 419053419 /nfs/dbraw/zinc/05/34/19/419053419.db2.gz FGBFTTWXOXVOBV-UHFFFAOYSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000653591560 419056668 /nfs/dbraw/zinc/05/66/68/419056668.db2.gz OBFAOSMETQMDDI-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000653591560 419056672 /nfs/dbraw/zinc/05/66/72/419056672.db2.gz OBFAOSMETQMDDI-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCCn2cc[nH+]c21)CC(C)C ZINC000655687004 419064387 /nfs/dbraw/zinc/06/43/87/419064387.db2.gz HLJQFTJWKQNYBE-JKSUJKDBSA-N 2 2 292.471 3.064 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+]1CCCC[C@@H]1C ZINC000655689659 419065993 /nfs/dbraw/zinc/06/59/93/419065993.db2.gz IYIYAUWLWJPBEI-XQLPTFJDSA-N 2 2 270.486 3.123 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+]1CCCC[C@@H]1C ZINC000655689659 419065996 /nfs/dbraw/zinc/06/59/96/419065996.db2.gz IYIYAUWLWJPBEI-XQLPTFJDSA-N 2 2 270.486 3.123 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655856084 419123659 /nfs/dbraw/zinc/12/36/59/419123659.db2.gz JXMRSYKXINYQGU-CVEARBPZSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655856084 419123662 /nfs/dbraw/zinc/12/36/62/419123662.db2.gz JXMRSYKXINYQGU-CVEARBPZSA-N 2 2 278.827 3.447 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655699980 419068990 /nfs/dbraw/zinc/06/89/90/419068990.db2.gz IRZPKWZVQPNAEW-HUUCEWRRSA-N 2 2 294.464 3.042 20 0 CGADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655855439 419124158 /nfs/dbraw/zinc/12/41/58/419124158.db2.gz DOSSFJMHNAMENH-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655855439 419124163 /nfs/dbraw/zinc/12/41/63/419124163.db2.gz DOSSFJMHNAMENH-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000656211792 419152363 /nfs/dbraw/zinc/15/23/63/419152363.db2.gz KOYMTMARXMTBJD-BETUJISGSA-N 2 2 287.382 3.434 20 0 CGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@H]1CCCCO1 ZINC000656276886 419163432 /nfs/dbraw/zinc/16/34/32/419163432.db2.gz JLLMJPGGTLNYNQ-IAGOWNOFSA-N 2 2 276.424 3.260 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666082534 419188399 /nfs/dbraw/zinc/18/83/99/419188399.db2.gz IYLPOWVVJXXEDH-GXTWGEPZSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)c[nH+]c12 ZINC000655863816 419126364 /nfs/dbraw/zinc/12/63/64/419126364.db2.gz QCZNXUJZCLTNDX-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1(c3ccccc3)CCCC1)CCC2 ZINC000657302324 419246290 /nfs/dbraw/zinc/24/62/90/419246290.db2.gz WZKZLZBFPMBBLS-UHFFFAOYSA-N 2 2 295.430 3.431 20 0 CGADLP CCCCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657312384 419248524 /nfs/dbraw/zinc/24/85/24/419248524.db2.gz HZHWMBOKDWYUKH-UHFFFAOYSA-N 2 2 299.418 3.298 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1cccc(C[NH+](C)C)c1 ZINC000657322689 419250241 /nfs/dbraw/zinc/25/02/41/419250241.db2.gz ZMAZAEZZPMWIAW-UHFFFAOYSA-N 2 2 272.396 3.138 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1F ZINC000657385194 419266265 /nfs/dbraw/zinc/26/62/65/419266265.db2.gz SDHBZWPODNCRDL-LLVKDONJSA-N 2 2 291.345 3.001 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000656675371 419197609 /nfs/dbraw/zinc/19/76/09/419197609.db2.gz DFCBLZRREUTNFB-GOEBONIOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000656675371 419197612 /nfs/dbraw/zinc/19/76/12/419197612.db2.gz DFCBLZRREUTNFB-GOEBONIOSA-N 2 2 258.409 3.136 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1C(F)(F)F ZINC000666232788 419201001 /nfs/dbraw/zinc/20/10/01/419201001.db2.gz YNDUAIMDLDVMBW-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1C(F)(F)F ZINC000666232788 419201002 /nfs/dbraw/zinc/20/10/02/419201002.db2.gz YNDUAIMDLDVMBW-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP c1ccc2[nH+]c(CC3CC[NH+](CC4CC4)CC3)[nH]c2c1 ZINC000660854894 419203536 /nfs/dbraw/zinc/20/35/36/419203536.db2.gz GLCHWXCAGQQQJZ-UHFFFAOYSA-N 2 2 269.392 3.227 20 0 CGADLP c1cc2c(cc1CNc1ccc3c(c1)CCC[NH2+]3)C[NH2+]CC2 ZINC000656786604 419219862 /nfs/dbraw/zinc/21/98/62/419219862.db2.gz OBABSGAKWUIDDD-UHFFFAOYSA-N 2 2 293.414 3.303 20 0 CGADLP Cc1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000657102938 419227470 /nfs/dbraw/zinc/22/74/70/419227470.db2.gz UJESLGQPNQWIBE-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1-n1cc[nH+]c1 ZINC000657233467 419234748 /nfs/dbraw/zinc/23/47/48/419234748.db2.gz QPZQYKCLSVSQQN-IJEWVQPXSA-N 2 2 285.366 3.290 20 0 CGADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657457505 419283225 /nfs/dbraw/zinc/28/32/25/419283225.db2.gz XBSHZWTVLUVOJZ-GDBMZVCRSA-N 2 2 299.393 3.394 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc3ccsc32)n1C ZINC000657500536 419295382 /nfs/dbraw/zinc/29/53/82/419295382.db2.gz LXVWQTLZGZATJX-UHFFFAOYSA-N 2 2 271.389 3.233 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC(F)(F)CC1 ZINC000657506186 419296346 /nfs/dbraw/zinc/29/63/46/419296346.db2.gz BHNWTOWZCDCJPL-LLVKDONJSA-N 2 2 283.366 3.133 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525519 419297259 /nfs/dbraw/zinc/29/72/59/419297259.db2.gz RUXWFUIOSJBJME-GQSKFBFOSA-N 2 2 288.435 3.171 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525519 419297261 /nfs/dbraw/zinc/29/72/61/419297261.db2.gz RUXWFUIOSJBJME-GQSKFBFOSA-N 2 2 288.435 3.171 20 0 CGADLP CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657547885 419301944 /nfs/dbraw/zinc/30/19/44/419301944.db2.gz OFUUKIGBJBOZFW-HNNXBMFYSA-N 2 2 287.382 3.079 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966823 419316785 /nfs/dbraw/zinc/31/67/85/419316785.db2.gz MFWXOIWESDRGCD-HOCLYGCPSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661966823 419316787 /nfs/dbraw/zinc/31/67/87/419316787.db2.gz MFWXOIWESDRGCD-HOCLYGCPSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)n2c1 ZINC000657657100 419320081 /nfs/dbraw/zinc/32/00/81/419320081.db2.gz NXCKFGDKYVORMC-YCPHGPKFSA-N 2 2 269.392 3.169 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000657741938 419334644 /nfs/dbraw/zinc/33/46/44/419334644.db2.gz JZTCVZBAOYUUCG-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000657741938 419334645 /nfs/dbraw/zinc/33/46/45/419334645.db2.gz JZTCVZBAOYUUCG-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP CCOC1CCC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000657881668 419404853 /nfs/dbraw/zinc/40/48/53/419404853.db2.gz PPJYRZFXNXEVBI-NUWOQIAWSA-N 2 2 282.472 3.187 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCSCC1)Cc1ccccc1 ZINC000657818103 419368776 /nfs/dbraw/zinc/36/87/76/419368776.db2.gz SAWRQHUDKROGPX-IRXDYDNUSA-N 2 2 292.492 3.035 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000657837297 419380634 /nfs/dbraw/zinc/38/06/34/419380634.db2.gz SCARJIWZQKTTLT-NUWOQIAWSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000657837297 419380639 /nfs/dbraw/zinc/38/06/39/419380639.db2.gz SCARJIWZQKTTLT-NUWOQIAWSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C(F)F ZINC000657836911 419381106 /nfs/dbraw/zinc/38/11/06/419381106.db2.gz XRMCYVWYNAPKEW-NSHDSACASA-N 2 2 285.382 3.031 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCSc1ccc(F)cc1 ZINC000662284929 419385059 /nfs/dbraw/zinc/38/50/59/419385059.db2.gz RIUJLHZPVJZSDK-UHFFFAOYSA-N 2 2 294.439 3.121 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCSc1ccc(F)cc1 ZINC000662284929 419385067 /nfs/dbraw/zinc/38/50/67/419385067.db2.gz RIUJLHZPVJZSDK-UHFFFAOYSA-N 2 2 294.439 3.121 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657930365 419450087 /nfs/dbraw/zinc/45/00/87/419450087.db2.gz NBLAZOQIEISEKA-OWCLPIDISA-N 2 2 258.409 3.347 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054578 419522565 /nfs/dbraw/zinc/52/25/65/419522565.db2.gz FJFNRTFNRSMCAG-DYVFJYSZSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054578 419522569 /nfs/dbraw/zinc/52/25/69/419522569.db2.gz FJFNRTFNRSMCAG-DYVFJYSZSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccs1 ZINC000658054000 419524183 /nfs/dbraw/zinc/52/41/83/419524183.db2.gz CNRKTGRXHPCLRO-NEPJUHHUSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccs1 ZINC000658054000 419524190 /nfs/dbraw/zinc/52/41/90/419524190.db2.gz CNRKTGRXHPCLRO-NEPJUHHUSA-N 2 2 252.427 3.272 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658055404 419525299 /nfs/dbraw/zinc/52/52/99/419525299.db2.gz IPXSXZCWJNPPRB-DZGCQCFKSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658055404 419525306 /nfs/dbraw/zinc/52/53/06/419525306.db2.gz IPXSXZCWJNPPRB-DZGCQCFKSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063434 419537551 /nfs/dbraw/zinc/53/75/51/419537551.db2.gz VLXKGLHAFOHDDQ-ZIAGYGMSSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063434 419537557 /nfs/dbraw/zinc/53/75/57/419537557.db2.gz VLXKGLHAFOHDDQ-ZIAGYGMSSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000658094745 419568148 /nfs/dbraw/zinc/56/81/48/419568148.db2.gz AMFYSQSHWYIRGB-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000658094745 419568153 /nfs/dbraw/zinc/56/81/53/419568153.db2.gz AMFYSQSHWYIRGB-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186327367 287557271 /nfs/dbraw/zinc/55/72/71/287557271.db2.gz NZRBQIFKCQHLDT-CPUCHLNUSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094946 419569187 /nfs/dbraw/zinc/56/91/87/419569187.db2.gz CCONQNLVWGOUSN-MCIONIFRSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094946 419569193 /nfs/dbraw/zinc/56/91/93/419569193.db2.gz CCONQNLVWGOUSN-MCIONIFRSA-N 2 2 252.446 3.274 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000663508146 419641873 /nfs/dbraw/zinc/64/18/73/419641873.db2.gz KKINFZFITHDTPR-OAHLLOKOSA-N 2 2 268.404 3.360 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2cccs2)C1 ZINC000658288252 419738777 /nfs/dbraw/zinc/73/87/77/419738777.db2.gz SCFSHJKYPSQIBN-UONOGXRCSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2cccs2)C1 ZINC000658288252 419738785 /nfs/dbraw/zinc/73/87/85/419738785.db2.gz SCFSHJKYPSQIBN-UONOGXRCSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccccc2)C1 ZINC000658288245 419739617 /nfs/dbraw/zinc/73/96/17/419739617.db2.gz ROQVZJKJAMIHIC-INMHGKMJSA-N 2 2 260.425 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccccc2)C1 ZINC000658288245 419739626 /nfs/dbraw/zinc/73/96/26/419739626.db2.gz ROQVZJKJAMIHIC-INMHGKMJSA-N 2 2 260.425 3.253 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292163 419740720 /nfs/dbraw/zinc/74/07/20/419740720.db2.gz PBLGOGNXFPSFEK-ZMSDIMECSA-N 2 2 282.472 3.044 20 0 CGADLP CCn1cc[nH+]c1CNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663958245 419773482 /nfs/dbraw/zinc/77/34/82/419773482.db2.gz UKOJLCNPRDJCKQ-UHFFFAOYSA-N 2 2 284.285 3.237 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+]3C[C@@H](C)OC[C@@H]3C)c2c1 ZINC000664241947 419864299 /nfs/dbraw/zinc/86/42/99/419864299.db2.gz KJQNDLYRCFWFKA-LSDHHAIUSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+]3C[C@@H](C)OC[C@@H]3C)c2c1 ZINC000664241947 419864303 /nfs/dbraw/zinc/86/43/03/419864303.db2.gz KJQNDLYRCFWFKA-LSDHHAIUSA-N 2 2 299.418 3.064 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000337401097 292647394 /nfs/dbraw/zinc/64/73/94/292647394.db2.gz PPPQPXAYGUUSPB-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000186246597 262313036 /nfs/dbraw/zinc/31/30/36/262313036.db2.gz TWJCHGGIURPQHK-CQSZACIVSA-N 2 2 273.424 3.219 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186538253 262316863 /nfs/dbraw/zinc/31/68/63/262316863.db2.gz YLIXGWGGQUMXTJ-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186538253 262316864 /nfs/dbraw/zinc/31/68/64/262316864.db2.gz YLIXGWGGQUMXTJ-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904525 270028447 /nfs/dbraw/zinc/02/84/47/270028447.db2.gz TUXCWOJJNKBTCT-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904525 270028448 /nfs/dbraw/zinc/02/84/48/270028448.db2.gz TUXCWOJJNKBTCT-NVXWUHKLSA-N 2 2 260.425 3.429 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685423 270037400 /nfs/dbraw/zinc/03/74/00/270037400.db2.gz MAMFTBMFWUZEEL-HZPDHXFCSA-N 2 2 272.436 3.499 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685423 270037401 /nfs/dbraw/zinc/03/74/01/270037401.db2.gz MAMFTBMFWUZEEL-HZPDHXFCSA-N 2 2 272.436 3.499 20 0 CGADLP Clc1cccc(C2CC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)c1 ZINC000044685993 270037455 /nfs/dbraw/zinc/03/74/55/270037455.db2.gz VRZBXPZNTINQAH-SIWZUTFBSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1cccc(C2CC([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000044685993 270037456 /nfs/dbraw/zinc/03/74/56/270037456.db2.gz VRZBXPZNTINQAH-SIWZUTFBSA-N 2 2 290.838 3.412 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000186239897 270065396 /nfs/dbraw/zinc/06/53/96/270065396.db2.gz WPGLTHZAGOOKBD-CHWSQXEVSA-N 2 2 293.480 3.401 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000186239897 270065397 /nfs/dbraw/zinc/06/53/97/270065397.db2.gz WPGLTHZAGOOKBD-CHWSQXEVSA-N 2 2 293.480 3.401 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000218956944 270085580 /nfs/dbraw/zinc/08/55/80/270085580.db2.gz RDJGZJYYZFOMOH-IJLUTSLNSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000218956944 270085581 /nfs/dbraw/zinc/08/55/81/270085581.db2.gz RDJGZJYYZFOMOH-IJLUTSLNSA-N 2 2 278.362 3.180 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000250361657 270091460 /nfs/dbraw/zinc/09/14/60/270091460.db2.gz UCZZQJWRPBYRJA-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000250361657 270091461 /nfs/dbraw/zinc/09/14/61/270091461.db2.gz UCZZQJWRPBYRJA-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@](C)(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)OC ZINC000322526277 270093831 /nfs/dbraw/zinc/09/38/31/270093831.db2.gz NYQJIHWXZJFCRP-KRWDZBQOSA-N 2 2 287.407 3.085 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527361203 270127721 /nfs/dbraw/zinc/12/77/21/270127721.db2.gz WJONOQLQWVLXMZ-YOEHRIQHSA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527361203 270127722 /nfs/dbraw/zinc/12/77/22/270127722.db2.gz WJONOQLQWVLXMZ-YOEHRIQHSA-N 2 2 278.415 3.393 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527813951 270138119 /nfs/dbraw/zinc/13/81/19/270138119.db2.gz ZVRZWXXUTTZHGE-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527813951 270138120 /nfs/dbraw/zinc/13/81/20/270138120.db2.gz ZVRZWXXUTTZHGE-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000527854616 270139965 /nfs/dbraw/zinc/13/99/65/270139965.db2.gz UCUJNLFPNYLCEQ-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000527854616 270139966 /nfs/dbraw/zinc/13/99/66/270139966.db2.gz UCUJNLFPNYLCEQ-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000527857964 270140293 /nfs/dbraw/zinc/14/02/93/270140293.db2.gz FYDJSMMJLYPBPU-DLBZAZTESA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000527857964 270140294 /nfs/dbraw/zinc/14/02/94/270140294.db2.gz FYDJSMMJLYPBPU-DLBZAZTESA-N 2 2 272.436 3.224 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944382 270145976 /nfs/dbraw/zinc/14/59/76/270145976.db2.gz CZUKJARDECAAFK-PBHICJAKSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944382 270145977 /nfs/dbraw/zinc/14/59/77/270145977.db2.gz CZUKJARDECAAFK-PBHICJAKSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1C ZINC000527952472 270146357 /nfs/dbraw/zinc/14/63/57/270146357.db2.gz TWQVJFOPDONZQC-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H]1C ZINC000527952472 270146358 /nfs/dbraw/zinc/14/63/58/270146358.db2.gz TWQVJFOPDONZQC-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527950781 270146575 /nfs/dbraw/zinc/14/65/75/270146575.db2.gz PDJIEYRTPQJARC-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527950781 270146576 /nfs/dbraw/zinc/14/65/76/270146576.db2.gz PDJIEYRTPQJARC-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993469 270149084 /nfs/dbraw/zinc/14/90/84/270149084.db2.gz VPEBGHUEEDWIIV-YMRXKLBXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527993469 270149085 /nfs/dbraw/zinc/14/90/85/270149085.db2.gz VPEBGHUEEDWIIV-YMRXKLBXSA-N 2 2 290.838 3.400 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccncc1 ZINC000527997915 270149271 /nfs/dbraw/zinc/14/92/71/270149271.db2.gz BZCYNDHUTYZERE-DLBZAZTESA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccncc1 ZINC000527997915 270149272 /nfs/dbraw/zinc/14/92/72/270149272.db2.gz BZCYNDHUTYZERE-DLBZAZTESA-N 2 2 273.424 3.139 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001623 270150143 /nfs/dbraw/zinc/15/01/43/270150143.db2.gz MKSDTFVULUJBSK-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001623 270150144 /nfs/dbraw/zinc/15/01/44/270150144.db2.gz MKSDTFVULUJBSK-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528004722 270150448 /nfs/dbraw/zinc/15/04/48/270150448.db2.gz WRTJGNILQJWRGI-WMLDXEAASA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528004722 270150449 /nfs/dbraw/zinc/15/04/49/270150449.db2.gz WRTJGNILQJWRGI-WMLDXEAASA-N 2 2 273.424 3.058 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010168 270151248 /nfs/dbraw/zinc/15/12/48/270151248.db2.gz JCUSWTXNLSECOK-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010168 270151249 /nfs/dbraw/zinc/15/12/49/270151249.db2.gz JCUSWTXNLSECOK-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387192 270163148 /nfs/dbraw/zinc/16/31/48/270163148.db2.gz LGSLEKWCSTYDMD-AWEZNQCLSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528387192 270163149 /nfs/dbraw/zinc/16/31/49/270163149.db2.gz LGSLEKWCSTYDMD-AWEZNQCLSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@H](C[N@H+](C)CCc1c[nH+]cn1C)C1CCCCC1 ZINC000528773135 270172481 /nfs/dbraw/zinc/17/24/81/270172481.db2.gz LGKFNEVPONOPDM-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@H](C[N@@H+](C)CCc1c[nH+]cn1C)C1CCCCC1 ZINC000528773135 270172482 /nfs/dbraw/zinc/17/24/82/270172482.db2.gz LGKFNEVPONOPDM-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217850 270196288 /nfs/dbraw/zinc/19/62/88/270196288.db2.gz HRQQAIFSRAUVDS-PBHICJAKSA-N 2 2 288.435 3.411 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)CCC2 ZINC000530221222 270196398 /nfs/dbraw/zinc/19/63/98/270196398.db2.gz OXHHTDJVLWRWPH-DYVFJYSZSA-N 2 2 270.420 3.111 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530244770 270197260 /nfs/dbraw/zinc/19/72/60/270197260.db2.gz NQUULZPXJKOTPW-HNNXBMFYSA-N 2 2 278.827 3.277 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)Cn1cc[nH+]c1 ZINC000530319029 270198749 /nfs/dbraw/zinc/19/87/49/270198749.db2.gz JDKUWEIRULPHCT-GFCCVEGCSA-N 2 2 279.334 3.247 20 0 CGADLP Cc1ccc(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000531451679 270206908 /nfs/dbraw/zinc/20/69/08/270206908.db2.gz AKMPZKGHWSHPFM-UHFFFAOYSA-N 2 2 295.386 3.414 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000531682588 270208568 /nfs/dbraw/zinc/20/85/68/270208568.db2.gz WJPBOYAWFVNDFQ-HNAYVOBHSA-N 2 2 298.430 3.241 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000531682588 270208569 /nfs/dbraw/zinc/20/85/69/270208569.db2.gz WJPBOYAWFVNDFQ-HNAYVOBHSA-N 2 2 298.430 3.241 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699314 270208926 /nfs/dbraw/zinc/20/89/26/270208926.db2.gz DVZJZQDQMGRHLC-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000531699314 270208927 /nfs/dbraw/zinc/20/89/27/270208927.db2.gz DVZJZQDQMGRHLC-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000531944611 270210921 /nfs/dbraw/zinc/21/09/21/270210921.db2.gz JMZKBHOKGMLYCA-WBAXXEDZSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000531944611 270210922 /nfs/dbraw/zinc/21/09/22/270210922.db2.gz JMZKBHOKGMLYCA-WBAXXEDZSA-N 2 2 272.436 3.456 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000531932666 270211006 /nfs/dbraw/zinc/21/10/06/270211006.db2.gz RDJMBODKRPAESJ-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531951334 270211208 /nfs/dbraw/zinc/21/12/08/270211208.db2.gz FINYYCFYROZKHG-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531951334 270211209 /nfs/dbraw/zinc/21/12/09/270211209.db2.gz FINYYCFYROZKHG-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CCOCC1 ZINC000532231604 270214495 /nfs/dbraw/zinc/21/44/95/270214495.db2.gz WACGHIIHJYCQAT-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000532231024 270214573 /nfs/dbraw/zinc/21/45/73/270214573.db2.gz DUOMNABBGQYYAN-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCC2 ZINC000533166820 270221978 /nfs/dbraw/zinc/22/19/78/270221978.db2.gz DVBAICQOZRNVSA-MAUKXSAKSA-N 2 2 272.436 3.304 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCC2 ZINC000533166820 270221979 /nfs/dbraw/zinc/22/19/79/270221979.db2.gz DVBAICQOZRNVSA-MAUKXSAKSA-N 2 2 272.436 3.304 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)CC1 ZINC000368585403 273529537 /nfs/dbraw/zinc/52/95/37/273529537.db2.gz QRIGTSCDTVMCFF-PXAZEXFGSA-N 2 2 292.398 3.110 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423243847 273685532 /nfs/dbraw/zinc/68/55/32/273685532.db2.gz KNOAVURNLPUKEP-GXFFZTMASA-N 2 2 297.240 3.197 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194753 274238837 /nfs/dbraw/zinc/23/88/37/274238837.db2.gz YMOMMZSDZZQNLK-WBMJQRKESA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194753 274238839 /nfs/dbraw/zinc/23/88/39/274238839.db2.gz YMOMMZSDZZQNLK-WBMJQRKESA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)c2sccc21 ZINC000423557723 274313178 /nfs/dbraw/zinc/31/31/78/274313178.db2.gz NOZGFCUQNLMLRG-MBNYWOFBSA-N 2 2 264.438 3.418 20 0 CGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443434916 274333719 /nfs/dbraw/zinc/33/37/19/274333719.db2.gz YSCHQPXCENDEFV-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000443434916 274333720 /nfs/dbraw/zinc/33/37/20/274333720.db2.gz YSCHQPXCENDEFV-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3cc(F)ccc31)CCC2 ZINC000374576349 274824498 /nfs/dbraw/zinc/82/44/98/274824498.db2.gz PCIDKTKDQPFACP-YOEHRIQHSA-N 2 2 299.393 3.485 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c[nH+]1 ZINC000151141874 275072546 /nfs/dbraw/zinc/07/25/46/275072546.db2.gz XATUEGPEEVQLQR-MRXNPFEDSA-N 2 2 297.402 3.309 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247042057 276174995 /nfs/dbraw/zinc/17/49/95/276174995.db2.gz WGSVVGLTKNBNCA-FRRDWIJNSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247042057 276174998 /nfs/dbraw/zinc/17/49/98/276174998.db2.gz WGSVVGLTKNBNCA-FRRDWIJNSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000226900209 276175243 /nfs/dbraw/zinc/17/52/43/276175243.db2.gz YFLBCXQRIFAJAG-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000226900209 276175244 /nfs/dbraw/zinc/17/52/44/276175244.db2.gz YFLBCXQRIFAJAG-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311828371 276175525 /nfs/dbraw/zinc/17/55/25/276175525.db2.gz DTNLCBOPRPWLOR-VBQJREDUSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000311828371 276175526 /nfs/dbraw/zinc/17/55/26/276175526.db2.gz DTNLCBOPRPWLOR-VBQJREDUSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000156559045 276187603 /nfs/dbraw/zinc/18/76/03/276187603.db2.gz VDQMPGXMHMGHRT-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000156559045 276187604 /nfs/dbraw/zinc/18/76/04/276187604.db2.gz VDQMPGXMHMGHRT-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@@H]1CCCC[C@@H]1C ZINC000434984522 276234278 /nfs/dbraw/zinc/23/42/78/276234278.db2.gz ASOMMKHKMSOVEF-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO[C@@H]1CCCC[C@@H]1C ZINC000434984522 276234279 /nfs/dbraw/zinc/23/42/79/276234279.db2.gz ASOMMKHKMSOVEF-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@@H]1CCCC[C@@H]1C ZINC000434984522 276234280 /nfs/dbraw/zinc/23/42/80/276234280.db2.gz ASOMMKHKMSOVEF-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@@H]1CCCC[C@@H]1C ZINC000434984522 276234282 /nfs/dbraw/zinc/23/42/82/276234282.db2.gz ASOMMKHKMSOVEF-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414963585 276270506 /nfs/dbraw/zinc/27/05/06/276270506.db2.gz UGOKTWZVTZHBBR-GFCCVEGCSA-N 2 2 254.805 3.044 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000155872290 276349193 /nfs/dbraw/zinc/34/91/93/276349193.db2.gz KVWZCHKFILDFCF-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC1 ZINC000155872290 276349194 /nfs/dbraw/zinc/34/91/94/276349194.db2.gz KVWZCHKFILDFCF-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269051931 278059166 /nfs/dbraw/zinc/05/91/66/278059166.db2.gz WBLGXZHSOBIXCK-CQSZACIVSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[NH+]1CCC(C)CC1 ZINC000486938659 278209007 /nfs/dbraw/zinc/20/90/07/278209007.db2.gz MYFDPVNPOOSBBV-QLFBSQMISA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccncc1Cl ZINC000421827620 278254109 /nfs/dbraw/zinc/25/41/09/278254109.db2.gz YNIASKYXURRYRX-LBPRGKRZSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228962 278284909 /nfs/dbraw/zinc/28/49/09/278284909.db2.gz DMTQHGYVLZPBRB-DYEKYZERSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228962 278284910 /nfs/dbraw/zinc/28/49/10/278284910.db2.gz DMTQHGYVLZPBRB-DYEKYZERSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2sccc21 ZINC000061327990 278301543 /nfs/dbraw/zinc/30/15/43/278301543.db2.gz GJULPZCWPDEHOF-AAEUAGOBSA-N 2 2 261.394 3.000 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866020 288033076 /nfs/dbraw/zinc/03/30/76/288033076.db2.gz GKQZEADTAHZMRD-MAUKXSAKSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866020 288033078 /nfs/dbraw/zinc/03/30/78/288033078.db2.gz GKQZEADTAHZMRD-MAUKXSAKSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000177229993 278335893 /nfs/dbraw/zinc/33/58/93/278335893.db2.gz GTKOEFMXFFOJLN-CYBMUJFWSA-N 2 2 276.399 3.178 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423063573 278353720 /nfs/dbraw/zinc/35/37/20/278353720.db2.gz PGAXWDQCSZLYIF-BNOWGMLFSA-N 2 2 286.341 3.063 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336415156 278376626 /nfs/dbraw/zinc/37/66/26/278376626.db2.gz ZSURHGDNFIVDPO-DGCLKSJQSA-N 2 2 283.366 3.002 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(C)CC1 ZINC000360947863 278388020 /nfs/dbraw/zinc/38/80/20/278388020.db2.gz ODJQUMFCLRQBOB-OLZOCXBDSA-N 2 2 275.440 3.274 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000345169466 288058702 /nfs/dbraw/zinc/05/87/02/288058702.db2.gz AHRSDDWGLUOHKE-NHYWBVRUSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)(C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCCCC1 ZINC000364382430 278620395 /nfs/dbraw/zinc/62/03/95/278620395.db2.gz HLDHQRIAGUFKPL-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000447309819 288071631 /nfs/dbraw/zinc/07/16/31/288071631.db2.gz RKTPIKQWCIUNPP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000447309819 288071634 /nfs/dbraw/zinc/07/16/34/288071634.db2.gz RKTPIKQWCIUNPP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000447309819 288071636 /nfs/dbraw/zinc/07/16/36/288071636.db2.gz RKTPIKQWCIUNPP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000447309819 288071639 /nfs/dbraw/zinc/07/16/39/288071639.db2.gz RKTPIKQWCIUNPP-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000354918525 278964745 /nfs/dbraw/zinc/96/47/45/278964745.db2.gz IOZMJOIQTJDVDZ-CUSZFKRNSA-N 2 2 290.451 3.001 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1C(C)C)CCC2 ZINC000468553803 279004289 /nfs/dbraw/zinc/00/42/89/279004289.db2.gz LWPOOEDTZDNAQD-XHSDSOJGSA-N 2 2 275.440 3.483 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000195120428 279147805 /nfs/dbraw/zinc/14/78/05/279147805.db2.gz IXTOUPWZAALVKC-SZMVWBNQSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c(C)n1 ZINC000423278954 279156915 /nfs/dbraw/zinc/15/69/15/279156915.db2.gz QOFYKJCMVNDJFO-CYBMUJFWSA-N 2 2 290.455 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222420116 279314499 /nfs/dbraw/zinc/31/44/99/279314499.db2.gz WGSVVGLTKNBNCA-JHJVBQTASA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222420116 279314500 /nfs/dbraw/zinc/31/45/00/279314500.db2.gz WGSVVGLTKNBNCA-JHJVBQTASA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000247980466 279315129 /nfs/dbraw/zinc/31/51/29/279315129.db2.gz MHVRYPLFEQUWSZ-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000247980466 279315130 /nfs/dbraw/zinc/31/51/30/279315130.db2.gz MHVRYPLFEQUWSZ-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000422959906 279681428 /nfs/dbraw/zinc/68/14/28/279681428.db2.gz AIJGILXUDBEUIG-ZACQAIPSSA-N 2 2 298.361 3.384 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000527232936 288158918 /nfs/dbraw/zinc/15/89/18/288158918.db2.gz JYQVHQTZRTVAEF-AEFFLSMTSA-N 2 2 274.452 3.358 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000527232936 288158922 /nfs/dbraw/zinc/15/89/22/288158922.db2.gz JYQVHQTZRTVAEF-AEFFLSMTSA-N 2 2 274.452 3.358 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122232 279767889 /nfs/dbraw/zinc/76/78/89/279767889.db2.gz IFKMBUAQELOWIA-SJCJKPOMSA-N 2 2 287.382 3.015 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@@H+]1C ZINC000527665838 288185984 /nfs/dbraw/zinc/18/59/84/288185984.db2.gz MDGUYEYKRVROGF-UWVGGRQHSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@H+]1C ZINC000527665838 288185988 /nfs/dbraw/zinc/18/59/88/288185988.db2.gz MDGUYEYKRVROGF-UWVGGRQHSA-N 2 2 288.769 3.191 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337505938 288198358 /nfs/dbraw/zinc/19/83/58/288198358.db2.gz FJPCCWIJVCAPJG-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337505938 288198359 /nfs/dbraw/zinc/19/83/59/288198359.db2.gz FJPCCWIJVCAPJG-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348260960 280123416 /nfs/dbraw/zinc/12/34/16/280123416.db2.gz FQHJIHJLJMKACJ-JSGCOSHPSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348260960 280123418 /nfs/dbraw/zinc/12/34/18/280123418.db2.gz FQHJIHJLJMKACJ-JSGCOSHPSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000348260960 280123419 /nfs/dbraw/zinc/12/34/19/280123419.db2.gz FQHJIHJLJMKACJ-JSGCOSHPSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000348260960 280123421 /nfs/dbraw/zinc/12/34/21/280123421.db2.gz FQHJIHJLJMKACJ-JSGCOSHPSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000345048587 280177305 /nfs/dbraw/zinc/17/73/05/280177305.db2.gz DNGKTHZJJYNZDO-KYJSFNMBSA-N 2 2 285.435 3.219 20 0 CGADLP C/C(Cl)=C/C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000528522307 288206971 /nfs/dbraw/zinc/20/69/71/288206971.db2.gz UEHGJRJMWUABLZ-AUWJEWJLSA-N 2 2 278.827 3.383 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423159676 280195374 /nfs/dbraw/zinc/19/53/74/280195374.db2.gz PRJYDYLYGFMKIZ-DMRZNYOFSA-N 2 2 274.408 3.019 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000430748787 280329796 /nfs/dbraw/zinc/32/97/96/280329796.db2.gz GFQGNVLGZXXRBQ-GBJTYRQASA-N 2 2 261.413 3.002 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C)c1F ZINC000335785181 280652037 /nfs/dbraw/zinc/65/20/37/280652037.db2.gz ZBROMBMMJUAWMA-DZGCQCFKSA-N 2 2 287.382 3.305 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177566 288294820 /nfs/dbraw/zinc/29/48/20/288294820.db2.gz KIOSTBOVTFGAJG-KRWDZBQOSA-N 2 2 284.403 3.369 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)cc1C)CCC2 ZINC000372949400 281547829 /nfs/dbraw/zinc/54/78/29/281547829.db2.gz OROHHVDGHZAJLM-OAHLLOKOSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531729160 288344978 /nfs/dbraw/zinc/34/49/78/288344978.db2.gz JELZHGKCHNCEJG-NVXWUHKLSA-N 2 2 288.435 3.140 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531704322 288341392 /nfs/dbraw/zinc/34/13/92/288341392.db2.gz XEGOOBSEVUCBFT-HDEZJCGLSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531704322 288341393 /nfs/dbraw/zinc/34/13/93/288341393.db2.gz XEGOOBSEVUCBFT-HDEZJCGLSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000531729160 288344981 /nfs/dbraw/zinc/34/49/81/288344981.db2.gz JELZHGKCHNCEJG-NVXWUHKLSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000271558931 281663587 /nfs/dbraw/zinc/66/35/87/281663587.db2.gz WMJXVGCFHXLSAU-KRWDZBQOSA-N 2 2 270.351 3.349 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC000532239578 288357366 /nfs/dbraw/zinc/35/73/66/288357366.db2.gz PPGAETQITOTYKF-LPHOPBHVSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC000532239578 288357369 /nfs/dbraw/zinc/35/73/69/288357369.db2.gz PPGAETQITOTYKF-LPHOPBHVSA-N 2 2 286.463 3.248 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000532244248 288358160 /nfs/dbraw/zinc/35/81/60/288358160.db2.gz KWIWOSPSCATGJW-KFWWJZLASA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865541 288396287 /nfs/dbraw/zinc/39/62/87/288396287.db2.gz PZPHNSLBMBPFIX-GOEBONIOSA-N 2 2 287.382 3.500 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865541 288396291 /nfs/dbraw/zinc/39/62/91/288396291.db2.gz PZPHNSLBMBPFIX-GOEBONIOSA-N 2 2 287.382 3.500 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000343798177 288569154 /nfs/dbraw/zinc/56/91/54/288569154.db2.gz PCRXOYQTJZJQAO-DVOMOZLQSA-N 2 2 267.376 3.036 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCCSC1)[NH+](C)C ZINC000494844281 292688963 /nfs/dbraw/zinc/68/89/63/292688963.db2.gz AFOGVKUZWXQGHV-UXLLHSPISA-N 2 2 292.492 3.471 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3C=CCCCCC3)CC2)c1 ZINC000549471393 289044704 /nfs/dbraw/zinc/04/47/04/289044704.db2.gz LFUIJPHCBBSFBK-KRWDZBQOSA-N 2 2 285.435 3.401 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000550713003 289082715 /nfs/dbraw/zinc/08/27/15/289082715.db2.gz RJPNZOMFXXGCJJ-MSOLQXFVSA-N 2 2 296.499 3.170 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000550713003 289082720 /nfs/dbraw/zinc/08/27/20/289082720.db2.gz RJPNZOMFXXGCJJ-MSOLQXFVSA-N 2 2 296.499 3.170 20 0 CGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)s1 ZINC000551238261 289104272 /nfs/dbraw/zinc/10/42/72/289104272.db2.gz WWGRPUXBWIAGSW-UHFFFAOYSA-N 2 2 275.421 3.188 20 0 CGADLP CCC1CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000551533896 289120541 /nfs/dbraw/zinc/12/05/41/289120541.db2.gz KFFVBYNXSGZGDZ-UHFFFAOYSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554049626 289253606 /nfs/dbraw/zinc/25/36/06/289253606.db2.gz URAAGTZCKNPTSY-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554049626 289253609 /nfs/dbraw/zinc/25/36/09/289253609.db2.gz URAAGTZCKNPTSY-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554376557 289278689 /nfs/dbraw/zinc/27/86/89/289278689.db2.gz BFGFNXHYGKQCLQ-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554376557 289278690 /nfs/dbraw/zinc/27/86/90/289278690.db2.gz BFGFNXHYGKQCLQ-GJZGRUSLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000555525733 289347810 /nfs/dbraw/zinc/34/78/10/289347810.db2.gz LKEDBOGUECSJOV-INIZCTEOSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000555564346 289349915 /nfs/dbraw/zinc/34/99/15/289349915.db2.gz MNALMPCMAWAZTA-LRDDRELGSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000555564346 289349916 /nfs/dbraw/zinc/34/99/16/289349916.db2.gz MNALMPCMAWAZTA-LRDDRELGSA-N 2 2 278.827 3.221 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000558698606 289513894 /nfs/dbraw/zinc/51/38/94/289513894.db2.gz PXBQDENRKNSRRQ-RCCFBDPRSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+]1CCOCC1 ZINC000559766455 289554849 /nfs/dbraw/zinc/55/48/49/289554849.db2.gz HVYMTMQDMKTJGV-IRXDYDNUSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)C(C[NH2+]CCCNc1cccc[nH+]1)C(C)C ZINC000560079737 289569953 /nfs/dbraw/zinc/56/99/53/289569953.db2.gz DIEJQINUONYPAC-UHFFFAOYSA-N 2 2 263.429 3.401 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000560263061 289580800 /nfs/dbraw/zinc/58/08/00/289580800.db2.gz VUZSPELTJBOFTM-HPBDAGMYSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCC(C)CC1 ZINC000353246376 298780735 /nfs/dbraw/zinc/78/07/35/298780735.db2.gz FHXCFNQCDGEULE-HZPDHXFCSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178310969 301209892 /nfs/dbraw/zinc/20/98/92/301209892.db2.gz KEHWODRCTARVCR-KRWDZBQOSA-N 2 2 288.435 3.203 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCO2 ZINC000154617290 301212695 /nfs/dbraw/zinc/21/26/95/301212695.db2.gz UCUCDGIINMVHKM-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCO2 ZINC000154617290 301212696 /nfs/dbraw/zinc/21/26/96/301212696.db2.gz UCUCDGIINMVHKM-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178309806 301443878 /nfs/dbraw/zinc/44/38/78/301443878.db2.gz XBLDDHFIEUERDW-KRWDZBQOSA-N 2 2 288.435 3.203 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCCS2 ZINC000423207713 302887024 /nfs/dbraw/zinc/88/70/24/302887024.db2.gz SCDCNIBMVBGFAS-YPMHNXCESA-N 2 2 282.840 3.219 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC1(C)C ZINC000563360748 321992815 /nfs/dbraw/zinc/99/28/15/321992815.db2.gz FGCAKHVPKUTHIS-UONOGXRCSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000564105611 322021034 /nfs/dbraw/zinc/02/10/34/322021034.db2.gz CFOWIYYJTYINKX-RDJZCZTQSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564105611 322021035 /nfs/dbraw/zinc/02/10/35/322021035.db2.gz CFOWIYYJTYINKX-RDJZCZTQSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1cc(NC(=O)C[NH2+]C(C)C)ccc1Oc1cc[nH+]cc1 ZINC000565251127 322070393 /nfs/dbraw/zinc/07/03/93/322070393.db2.gz XKGGKYSMQIKUFQ-UHFFFAOYSA-N 2 2 299.374 3.119 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000565744596 322089350 /nfs/dbraw/zinc/08/93/50/322089350.db2.gz XHHWQGHUCSHQCP-UHFFFAOYSA-N 2 2 298.430 3.477 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000566092404 322103971 /nfs/dbraw/zinc/10/39/71/322103971.db2.gz KHIXDDBRHSSPMV-ISTVAULSSA-N 2 2 270.779 3.128 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000566092343 322104004 /nfs/dbraw/zinc/10/40/04/322104004.db2.gz BVNYDAJEHMYBQY-KBRIMQKVSA-N 2 2 258.409 3.042 20 0 CGADLP CCC1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000566611878 322131325 /nfs/dbraw/zinc/13/13/25/322131325.db2.gz WECADRGLSDJEAC-NXYGQSRBSA-N 2 2 272.436 3.429 20 0 CGADLP CCC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000566611878 322131327 /nfs/dbraw/zinc/13/13/27/322131327.db2.gz WECADRGLSDJEAC-NXYGQSRBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+](C)C ZINC000568077915 322192762 /nfs/dbraw/zinc/19/27/62/322192762.db2.gz WTJNMKLIXVMNHW-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000568165330 322195419 /nfs/dbraw/zinc/19/54/19/322195419.db2.gz LBRNNQUNZNVKME-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H]1c1ccccc1 ZINC000568165330 322195422 /nfs/dbraw/zinc/19/54/22/322195422.db2.gz LBRNNQUNZNVKME-RHSMWYFYSA-N 2 2 269.392 3.046 20 0 CGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000569447670 322247685 /nfs/dbraw/zinc/24/76/85/322247685.db2.gz LSTXLSCZFDLYTP-ZDUSSCGKSA-N 2 2 289.448 3.460 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[NH+]1CCCC1 ZINC000570030903 322263281 /nfs/dbraw/zinc/26/32/81/322263281.db2.gz NGXKRVMKJOBOQP-NJAFHUGGSA-N 2 2 296.499 3.434 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000570640552 322278722 /nfs/dbraw/zinc/27/87/22/322278722.db2.gz ITFMDTMDBIJURJ-MLHJIOFPSA-N 2 2 296.499 3.433 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000570707052 322280319 /nfs/dbraw/zinc/28/03/19/322280319.db2.gz HXZSNVPVGPSFNS-XIRDDKMYSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000570707052 322280321 /nfs/dbraw/zinc/28/03/21/322280321.db2.gz HXZSNVPVGPSFNS-XIRDDKMYSA-N 2 2 260.425 3.456 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nc2c1CCC2 ZINC000571288573 322294917 /nfs/dbraw/zinc/29/49/17/322294917.db2.gz RYPWLSWDMONNKS-UHFFFAOYSA-N 2 2 299.462 3.067 20 0 CGADLP Cc1csc([C@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)n1 ZINC000572479375 322339748 /nfs/dbraw/zinc/33/97/48/322339748.db2.gz VKJOOFLDLODCQJ-OAHLLOKOSA-N 2 2 287.432 3.438 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000575968347 322498791 /nfs/dbraw/zinc/49/87/91/322498791.db2.gz CETUELFVWDTDEC-UHFFFAOYSA-N 2 2 299.418 3.242 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000582783497 329191181 /nfs/dbraw/zinc/19/11/81/329191181.db2.gz NITUERNRRNIONB-MRXNPFEDSA-N 2 2 286.423 3.043 20 0 CGADLP Cc1c[nH+]ccc1CCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000397528315 329367274 /nfs/dbraw/zinc/36/72/74/329367274.db2.gz UKCVJKBFHCHMHC-QWHCGFSZSA-N 2 2 269.392 3.200 20 0 CGADLP Cc1c[nH+]ccc1CCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000397528306 329367359 /nfs/dbraw/zinc/36/73/59/329367359.db2.gz UKCVJKBFHCHMHC-CHWSQXEVSA-N 2 2 269.392 3.200 20 0 CGADLP Cc1c[nH+]ccc1CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000397528320 329367394 /nfs/dbraw/zinc/36/73/94/329367394.db2.gz UKCVJKBFHCHMHC-STQMWFEESA-N 2 2 269.392 3.200 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423386517 533710523 /nfs/dbraw/zinc/71/05/23/533710523.db2.gz LJCKEQKRKZRQBT-CZUORRHYSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000191903390 331306304 /nfs/dbraw/zinc/30/63/04/331306304.db2.gz GPFYHJPECFJMQZ-AWEZNQCLSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000191903390 331306305 /nfs/dbraw/zinc/30/63/05/331306305.db2.gz GPFYHJPECFJMQZ-AWEZNQCLSA-N 2 2 269.392 3.411 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000576263041 335179179 /nfs/dbraw/zinc/17/91/79/335179179.db2.gz PHFFFYMVCAFBIE-UHFFFAOYSA-N 2 2 288.391 3.455 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000576263041 335179181 /nfs/dbraw/zinc/17/91/81/335179181.db2.gz PHFFFYMVCAFBIE-UHFFFAOYSA-N 2 2 288.391 3.455 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000577765045 335399062 /nfs/dbraw/zinc/39/90/62/335399062.db2.gz ANKSBBOPMICSIT-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000577765045 335399063 /nfs/dbraw/zinc/39/90/63/335399063.db2.gz ANKSBBOPMICSIT-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP CCc1[nH+]c2ccccc2c(N2CCn3c[nH+]cc3C2)c1C ZINC000578059113 335473443 /nfs/dbraw/zinc/47/34/43/335473443.db2.gz ZDYKZBFOGGWZHR-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CC1 ZINC000578500454 335641436 /nfs/dbraw/zinc/64/14/36/335641436.db2.gz LYDSDKKOWPYXIN-AWEZNQCLSA-N 2 2 279.453 3.018 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1ccc(Cl)cc1 ZINC000578855626 335680746 /nfs/dbraw/zinc/68/07/46/335680746.db2.gz QRNWOXUFYHLRGA-UHFFFAOYSA-N 2 2 284.831 3.039 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCC(C)(C)C1 ZINC000581337426 336052153 /nfs/dbraw/zinc/05/21/53/336052153.db2.gz KHBPFHUWRIIVLF-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCC(C)(C)C1 ZINC000581337426 336052154 /nfs/dbraw/zinc/05/21/54/336052154.db2.gz KHBPFHUWRIIVLF-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C2CCCCC2)n1C ZINC000581381109 336065750 /nfs/dbraw/zinc/06/57/50/336065750.db2.gz QGIXBJRFGKJDCP-UHFFFAOYSA-N 2 2 263.429 3.425 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000581381077 336065801 /nfs/dbraw/zinc/06/58/01/336065801.db2.gz PCMNUSPRGFLRMH-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@H+]1CCC[C@@H](C)C1 ZINC000581381077 336065802 /nfs/dbraw/zinc/06/58/02/336065802.db2.gz PCMNUSPRGFLRMH-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP CSCC1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000385892139 336160105 /nfs/dbraw/zinc/16/01/05/336160105.db2.gz ZKOLCBLVWDYSBM-URGYJCLVSA-N 2 2 282.497 3.123 20 0 CGADLP CSCC1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000385892139 336160106 /nfs/dbraw/zinc/16/01/06/336160106.db2.gz ZKOLCBLVWDYSBM-URGYJCLVSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423453535 533882659 /nfs/dbraw/zinc/88/26/59/533882659.db2.gz AMPRXDBLPBKSJO-ZMSDIMECSA-N 3 2 298.434 3.040 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378125 533992722 /nfs/dbraw/zinc/99/27/22/533992722.db2.gz JRDUKVWWYIRQKY-ZRGWGRIASA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378125 533992732 /nfs/dbraw/zinc/99/27/32/533992732.db2.gz JRDUKVWWYIRQKY-ZRGWGRIASA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(Br)c1 ZINC000423362595 533993004 /nfs/dbraw/zinc/99/30/04/533993004.db2.gz NCLZXSRDPQVNIU-COPLHBTASA-N 2 2 297.240 3.098 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365636573 534158245 /nfs/dbraw/zinc/15/82/45/534158245.db2.gz JPAMWEIDMQZEEU-AWEZNQCLSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365636573 534158258 /nfs/dbraw/zinc/15/82/58/534158258.db2.gz JPAMWEIDMQZEEU-AWEZNQCLSA-N 2 2 287.382 3.247 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427860954 534231479 /nfs/dbraw/zinc/23/14/79/534231479.db2.gz BDWYCNAZVXDADA-WFASDCNBSA-N 2 2 289.810 3.072 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000111172294 519719300 /nfs/dbraw/zinc/71/93/00/519719300.db2.gz OGIZWDXQKROAPL-ZDUSSCGKSA-N 2 2 264.388 3.349 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)[nH+]c1 ZINC000414193419 534494085 /nfs/dbraw/zinc/49/40/85/534494085.db2.gz MUIIDLKVIMLAPL-WMZOPIPTSA-N 2 2 299.462 3.466 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccco1 ZINC000163877151 521646838 /nfs/dbraw/zinc/64/68/38/521646838.db2.gz ZPDITBFTKANFHB-AWEZNQCLSA-N 2 2 252.402 3.442 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000054627481 521955532 /nfs/dbraw/zinc/95/55/32/521955532.db2.gz YXHZBWVAPSCYCM-AGUYFDCRSA-N 2 2 264.800 3.055 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000054627481 521955539 /nfs/dbraw/zinc/95/55/39/521955539.db2.gz YXHZBWVAPSCYCM-AGUYFDCRSA-N 2 2 264.800 3.055 20 0 CGADLP COC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000151707481 522767262 /nfs/dbraw/zinc/76/72/62/522767262.db2.gz BQKRVFICRRUVTR-PBHICJAKSA-N 2 2 287.407 3.194 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccoc1C ZINC000414256168 534684679 /nfs/dbraw/zinc/68/46/79/534684679.db2.gz LCJURMYKTCDRJA-UHFFFAOYSA-N 2 2 283.375 3.426 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)c1 ZINC000437101174 534722678 /nfs/dbraw/zinc/72/26/78/534722678.db2.gz COPDSJLPIFLGCV-GOSISDBHSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000157792098 524565725 /nfs/dbraw/zinc/56/57/25/524565725.db2.gz BPEANJZGHUGXNH-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000157792098 524565730 /nfs/dbraw/zinc/56/57/30/524565730.db2.gz BPEANJZGHUGXNH-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1csc(C2([NH2+]CCC[NH+]3CCCCC3)CCC2)n1 ZINC000444644344 534795807 /nfs/dbraw/zinc/79/58/07/534795807.db2.gz XJFSWSWNZNISDJ-UHFFFAOYSA-N 2 2 293.480 3.296 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1Br ZINC000049553137 525596431 /nfs/dbraw/zinc/59/64/31/525596431.db2.gz DFELLSHMJDZFRO-NWDGAFQWSA-N 2 2 299.256 3.440 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571758 525618376 /nfs/dbraw/zinc/61/83/76/525618376.db2.gz KTPALQQKZSVNMP-ZETOZRRWSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571758 525618386 /nfs/dbraw/zinc/61/83/86/525618386.db2.gz KTPALQQKZSVNMP-ZETOZRRWSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946848 525636610 /nfs/dbraw/zinc/63/66/10/525636610.db2.gz JZPKAMSTYUYVRM-ILXRZTDVSA-N 2 2 287.451 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946848 525636618 /nfs/dbraw/zinc/63/66/18/525636618.db2.gz JZPKAMSTYUYVRM-ILXRZTDVSA-N 2 2 287.451 3.028 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423376011 534879246 /nfs/dbraw/zinc/87/92/46/534879246.db2.gz YEJSBQSZQBMAHD-GMXVVIOVSA-N 2 2 281.469 3.224 20 0 CGADLP c1ccc(OCCCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000339414334 526485184 /nfs/dbraw/zinc/48/51/84/526485184.db2.gz UWGRQWDZDRSZCU-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP c1ccc(OCCCCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000339414334 526485189 /nfs/dbraw/zinc/48/51/89/526485189.db2.gz UWGRQWDZDRSZCU-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC(C)=CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000359671816 527407021 /nfs/dbraw/zinc/40/70/21/527407021.db2.gz AIICBDYFCSOSJE-UHFFFAOYSA-N 2 2 255.365 3.318 20 0 CGADLP CCC[N@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000358606994 527826346 /nfs/dbraw/zinc/82/63/46/527826346.db2.gz DPHKVPHYYLXYBY-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000358606994 527826350 /nfs/dbraw/zinc/82/63/50/527826350.db2.gz DPHKVPHYYLXYBY-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC)cc1 ZINC000427878228 528237323 /nfs/dbraw/zinc/23/73/23/528237323.db2.gz QEQYCVHETCZKAB-WBVHZDCISA-N 2 2 299.418 3.338 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423392511 528315124 /nfs/dbraw/zinc/31/51/24/528315124.db2.gz XPIKGRNPUQILQS-GRYCIOLGSA-N 2 2 267.442 3.058 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423252206 528334584 /nfs/dbraw/zinc/33/45/84/528334584.db2.gz XLUJZSZITGRVCG-HNNXBMFYSA-N 2 2 250.386 3.018 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423393981 528422045 /nfs/dbraw/zinc/42/20/45/528422045.db2.gz ZCVJIMGIOJWZCV-MNOVXSKESA-N 2 2 290.329 3.234 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423367768 528422397 /nfs/dbraw/zinc/42/23/97/528422397.db2.gz AOXSTDMZKHYVIG-RHSMWYFYSA-N 2 2 260.425 3.424 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423247546 528570756 /nfs/dbraw/zinc/57/07/56/528570756.db2.gz QKBYHGWJRSNSCU-WMZOPIPTSA-N 2 2 283.419 3.458 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423414085 528628648 /nfs/dbraw/zinc/62/86/48/528628648.db2.gz BKTVNSWKWSKWAR-CRAIPNDOSA-N 2 2 290.451 3.058 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1cccc(C2CC2)[nH+]1 ZINC000424172668 528629374 /nfs/dbraw/zinc/62/93/74/528629374.db2.gz KHEIOONSSFJFQA-UHFFFAOYSA-N 2 2 256.353 3.349 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000423282159 528952434 /nfs/dbraw/zinc/95/24/34/528952434.db2.gz CCFQXCFGOMELQX-LLVKDONJSA-N 2 2 298.402 3.011 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423293275 528954060 /nfs/dbraw/zinc/95/40/60/528954060.db2.gz QQNZYAXFOAEMGF-AWEZNQCLSA-N 2 2 278.444 3.138 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423296960 528957553 /nfs/dbraw/zinc/95/75/53/528957553.db2.gz ICNLZOUJNFZORV-MWLCHTKSSA-N 2 2 274.330 3.272 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423238811 529122809 /nfs/dbraw/zinc/12/28/09/529122809.db2.gz JNTVNWFUBZRTTM-IRXDYDNUSA-N 2 2 269.392 3.068 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cc(Cl)ccc1OC ZINC000423482062 529173088 /nfs/dbraw/zinc/17/30/88/529173088.db2.gz XDEQIUWEGBTENR-WCQYABFASA-N 2 2 270.804 3.127 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425944396 529177672 /nfs/dbraw/zinc/17/76/72/529177672.db2.gz WZEDNXVFIYUTSD-XHDPSFHLSA-N 2 2 270.367 3.203 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368104253 529207859 /nfs/dbraw/zinc/20/78/59/529207859.db2.gz DESHQRVOBWZXOB-UONOGXRCSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368104253 529207861 /nfs/dbraw/zinc/20/78/61/529207861.db2.gz DESHQRVOBWZXOB-UONOGXRCSA-N 2 2 255.365 3.008 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414121729 529246810 /nfs/dbraw/zinc/24/68/10/529246810.db2.gz HRSRKFJOVZNNIX-CYBMUJFWSA-N 2 2 289.448 3.425 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423354964 529257683 /nfs/dbraw/zinc/25/76/83/529257683.db2.gz DITWNQMBLPFPOX-YDHLFZDLSA-N 2 2 278.465 3.447 20 0 CGADLP CCOc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1F ZINC000487548681 535724105 /nfs/dbraw/zinc/72/41/05/535724105.db2.gz CZTIZUYRCSZYJU-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c2cccnc12 ZINC000124421776 536362467 /nfs/dbraw/zinc/36/24/67/536362467.db2.gz GFXSAAFTPLMHBA-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c2cccnc12 ZINC000124421776 536362471 /nfs/dbraw/zinc/36/24/71/536362471.db2.gz GFXSAAFTPLMHBA-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1F ZINC000191005343 536363010 /nfs/dbraw/zinc/36/30/10/536363010.db2.gz HORWTJLBRJCEKJ-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1F ZINC000191005343 536363012 /nfs/dbraw/zinc/36/30/12/536363012.db2.gz HORWTJLBRJCEKJ-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP Cl/C=C(/Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514012 573015450 /nfs/dbraw/zinc/01/54/50/573015450.db2.gz HMLLWQRHLMJZOT-NDBUSZBKSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(/Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514012 573015454 /nfs/dbraw/zinc/01/54/54/573015454.db2.gz HMLLWQRHLMJZOT-NDBUSZBKSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(/Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514012 573015460 /nfs/dbraw/zinc/01/54/60/573015460.db2.gz HMLLWQRHLMJZOT-NDBUSZBKSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(/Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749514012 573015469 /nfs/dbraw/zinc/01/54/69/573015469.db2.gz HMLLWQRHLMJZOT-NDBUSZBKSA-N 2 2 289.250 3.254 20 0 CGADLP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1F ZINC000342272469 571892175 /nfs/dbraw/zinc/89/21/75/571892175.db2.gz AHMLSKBRPCLYDY-OAHLLOKOSA-N 2 2 270.367 3.203 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000729681645 571928925 /nfs/dbraw/zinc/92/89/25/571928925.db2.gz GRWGHKQHUQSINP-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000729681645 571928928 /nfs/dbraw/zinc/92/89/28/571928928.db2.gz GRWGHKQHUQSINP-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000729685629 571929482 /nfs/dbraw/zinc/92/94/82/571929482.db2.gz DJZNUSNLACNSBM-SZGZABIGSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000729685629 571929487 /nfs/dbraw/zinc/92/94/87/571929487.db2.gz DJZNUSNLACNSBM-SZGZABIGSA-N 2 2 258.409 3.162 20 0 CGADLP Cc1cc(CNc2cc(C)[nH+]c(C)n2)cc(N2CCCC2)[nH+]1 ZINC000291143069 572335492 /nfs/dbraw/zinc/33/54/92/572335492.db2.gz OCIULTSCFQLTNT-UHFFFAOYSA-N 2 2 297.406 3.009 20 0 CGADLP C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CC[NH+](C)CC1 ZINC000396458346 572485389 /nfs/dbraw/zinc/48/53/89/572485389.db2.gz LCHATHAYVUELEF-SNVBAGLBSA-N 2 2 287.329 3.243 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742392819 572576429 /nfs/dbraw/zinc/57/64/29/572576429.db2.gz SLVSHXDHGGQIFE-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000806136091 617957198 /nfs/dbraw/zinc/95/71/98/617957198.db2.gz ZTPKHXFOUSNUEA-HOCLYGCPSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccns1)[NH+]1CCCCC1 ZINC000926140044 618165997 /nfs/dbraw/zinc/16/59/97/618165997.db2.gz AACSBYKTNJKNSO-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccns1)[NH+]1CCCCC1 ZINC000926140045 618166304 /nfs/dbraw/zinc/16/63/04/618166304.db2.gz AACSBYKTNJKNSO-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP CSCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000891666387 618244544 /nfs/dbraw/zinc/24/45/44/618244544.db2.gz PYBQRKCXELSGCY-UHFFFAOYSA-N 2 2 278.465 3.076 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1)C[NH+](C)C ZINC000926476117 618703768 /nfs/dbraw/zinc/70/37/68/618703768.db2.gz YGWQJZCYNVSOQE-KGLIPLIRSA-N 2 2 287.407 3.190 20 0 CGADLP Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(C2CCC2)[nH+]1 ZINC000893120489 619000263 /nfs/dbraw/zinc/00/02/63/619000263.db2.gz ZPHQMKVIQUJPOJ-CYBMUJFWSA-N 2 2 286.423 3.115 20 0 CGADLP Cc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(C2CCC2)[nH+]1 ZINC000893120489 619000264 /nfs/dbraw/zinc/00/02/64/619000264.db2.gz ZPHQMKVIQUJPOJ-CYBMUJFWSA-N 2 2 286.423 3.115 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925663483 619117774 /nfs/dbraw/zinc/11/77/74/619117774.db2.gz TXBXJMVQBUYUOF-WEDSCMKFSA-N 2 2 288.460 3.056 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccccc1 ZINC000925683303 619131776 /nfs/dbraw/zinc/13/17/76/619131776.db2.gz NXBNMEUVGQXXSJ-IACUBPJLSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1nc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)sc1C ZINC000893534794 619208662 /nfs/dbraw/zinc/20/86/62/619208662.db2.gz PDDYJNOIRSUHOJ-LBPRGKRZSA-N 2 2 281.469 3.114 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1csc(Cl)c1 ZINC000925775211 619237495 /nfs/dbraw/zinc/23/74/95/619237495.db2.gz DRUVKEYZLHVSHU-SCZZXKLOSA-N 2 2 294.798 3.297 20 0 CGADLP c1ccc2c(c1)cncc2C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000317760753 619255893 /nfs/dbraw/zinc/25/58/93/619255893.db2.gz RGMPERSHOQFFOL-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261613720 619292749 /nfs/dbraw/zinc/29/27/49/619292749.db2.gz SXRTVYWHDLRWSQ-KBPBESRZSA-N 2 2 254.377 3.101 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCCC2)CC1 ZINC000895110501 619733840 /nfs/dbraw/zinc/73/38/40/619733840.db2.gz NKNFFYSYPWMQCE-CTYIDZIISA-N 2 2 259.397 3.101 20 0 CGADLP Cc1ncccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112169 619735648 /nfs/dbraw/zinc/73/56/48/619735648.db2.gz VUVJBFDCXILIBN-QAQDUYKDSA-N 2 2 296.418 3.062 20 0 CGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccn2C)CC1 ZINC000895554332 619849183 /nfs/dbraw/zinc/84/91/83/619849183.db2.gz NVAMRGOGUJKKMS-UHFFFAOYSA-N 2 2 289.467 3.256 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OC(C)C ZINC000034991375 620214212 /nfs/dbraw/zinc/21/42/12/620214212.db2.gz OOHCNKKZNKDOPK-UHFFFAOYSA-N 2 2 278.440 3.295 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccnnc1 ZINC000925200041 620227900 /nfs/dbraw/zinc/22/79/00/620227900.db2.gz JCIYLEZIEPKJOA-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccnnc1 ZINC000925200041 620227903 /nfs/dbraw/zinc/22/79/03/620227903.db2.gz JCIYLEZIEPKJOA-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@@H]1C ZINC000321162826 620286327 /nfs/dbraw/zinc/28/63/27/620286327.db2.gz XNBPWCPILGRZGU-LJISPDSOSA-N 2 2 263.429 3.322 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000237409802 620374662 /nfs/dbraw/zinc/37/46/62/620374662.db2.gz PQYNRQCUUANTHD-CQSZACIVSA-N 2 2 273.424 3.139 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982925 620462222 /nfs/dbraw/zinc/46/22/22/620462222.db2.gz RNWBZBOCIDCKOU-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CCNc1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000902183700 621177983 /nfs/dbraw/zinc/17/79/83/621177983.db2.gz ZRZRSBVHEXVJRD-UHFFFAOYSA-N 2 2 298.434 3.495 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000902412809 621302210 /nfs/dbraw/zinc/30/22/10/621302210.db2.gz FLGVODXUVWODFX-QMMMGPOBSA-N 2 2 290.741 3.083 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482104 621351484 /nfs/dbraw/zinc/35/14/84/621351484.db2.gz JFJZZFZMYFDZOX-QWHCGFSZSA-N 2 2 252.427 3.239 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cscn1 ZINC000162376967 621395406 /nfs/dbraw/zinc/39/54/06/621395406.db2.gz VBFASMTWFDCEGN-YPMHNXCESA-N 2 2 278.425 3.105 20 0 CGADLP C[C@@H]([NH2+]CCOC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902777245 621435836 /nfs/dbraw/zinc/43/58/36/621435836.db2.gz UMZCJNGBHBKMPY-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP CSC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902809235 621441259 /nfs/dbraw/zinc/44/12/59/621441259.db2.gz QPYNMSIAGJFYCV-CHWSQXEVSA-N 2 2 275.421 3.274 20 0 CGADLP COCC[C@@H](C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903019110 621520905 /nfs/dbraw/zinc/52/09/05/621520905.db2.gz KIQMWFRYQJRWRX-HUUCEWRRSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903009502 621532145 /nfs/dbraw/zinc/53/21/45/621532145.db2.gz ABHCCCYSJOSXQW-KYJSFNMBSA-N 2 2 299.418 3.074 20 0 CGADLP CS[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903077520 621559414 /nfs/dbraw/zinc/55/94/14/621559414.db2.gz KTPMFEWOCRAECR-XNRPHZJLSA-N 2 2 287.432 3.417 20 0 CGADLP c1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)nc1 ZINC000903105344 621578453 /nfs/dbraw/zinc/57/84/53/621578453.db2.gz BFZOSPHCWPRPQY-KRWDZBQOSA-N 2 2 282.391 3.020 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@]34C[C@H]3CCCC4)CC2)[nH+]c1 ZINC000903162917 621608723 /nfs/dbraw/zinc/60/87/23/621608723.db2.gz STFSCBTZLDWMSA-QAPCUYQASA-N 2 2 285.435 3.220 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1OC ZINC000903370919 621717133 /nfs/dbraw/zinc/71/71/33/621717133.db2.gz LHUOSCQESYZWMA-NOLJZWGESA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1OC ZINC000903370919 621717135 /nfs/dbraw/zinc/71/71/35/621717135.db2.gz LHUOSCQESYZWMA-NOLJZWGESA-N 2 2 294.414 3.358 20 0 CGADLP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484053 621765570 /nfs/dbraw/zinc/76/55/70/621765570.db2.gz OONIJQUHPOBJRZ-MRXNPFEDSA-N 2 2 299.393 3.138 20 0 CGADLP c1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)c2ccccn2)cc1 ZINC000903740691 621801112 /nfs/dbraw/zinc/80/11/12/621801112.db2.gz JVJMSVXYAVXABW-LPHOPBHVSA-N 2 2 295.430 3.150 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)nc2)CCC1 ZINC000903815118 621809544 /nfs/dbraw/zinc/80/95/44/621809544.db2.gz QGHHZFTZUQIJFW-AWEZNQCLSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)nc2)CCC1 ZINC000903815118 621809545 /nfs/dbraw/zinc/80/95/45/621809545.db2.gz QGHHZFTZUQIJFW-AWEZNQCLSA-N 2 2 293.842 3.219 20 0 CGADLP Cc1ccccc1C1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903890227 621823034 /nfs/dbraw/zinc/82/30/34/621823034.db2.gz AAIGCHKJBLYLFH-AWEZNQCLSA-N 2 2 282.378 3.157 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884182 621826735 /nfs/dbraw/zinc/82/67/35/621826735.db2.gz UASNXYNPPSNDHQ-LBPRGKRZSA-N 2 2 276.758 3.144 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884182 621826739 /nfs/dbraw/zinc/82/67/39/621826739.db2.gz UASNXYNPPSNDHQ-LBPRGKRZSA-N 2 2 276.758 3.144 20 0 CGADLP Cc1ccc(C[N@H+](C[C@H]([NH3+])CC(F)F)C2CC2)cc1C ZINC000903895382 621828235 /nfs/dbraw/zinc/82/82/35/621828235.db2.gz MWBHWTLPAUMRSZ-CQSZACIVSA-N 2 2 282.378 3.250 20 0 CGADLP Cc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)C2CC2)cc1C ZINC000903895382 621828238 /nfs/dbraw/zinc/82/82/38/621828238.db2.gz MWBHWTLPAUMRSZ-CQSZACIVSA-N 2 2 282.378 3.250 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000903910384 621832199 /nfs/dbraw/zinc/83/21/99/621832199.db2.gz MCTZPZDWLWFYAK-ZDUSSCGKSA-N 2 2 274.399 3.405 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903910384 621832200 /nfs/dbraw/zinc/83/22/00/621832200.db2.gz MCTZPZDWLWFYAK-ZDUSSCGKSA-N 2 2 274.399 3.405 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccc(F)cc1F ZINC000903922844 621833175 /nfs/dbraw/zinc/83/31/75/621833175.db2.gz GFANSTARCDJNPW-GWCFXTLKSA-N 2 2 292.320 3.378 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353649 621911110 /nfs/dbraw/zinc/91/11/10/621911110.db2.gz PXSGWIUAOZLMOT-IBGZPJMESA-N 3 2 297.446 3.058 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(C)c1OC(F)F ZINC000841089794 622420322 /nfs/dbraw/zinc/42/03/22/622420322.db2.gz KIRUFJPPLXVNPH-CQSZACIVSA-N 2 2 298.377 3.137 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000174564371 623405940 /nfs/dbraw/zinc/40/59/40/623405940.db2.gz AHIADZYMOVCGAF-UHFFFAOYSA-N 2 2 299.418 3.104 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000921529032 625650392 /nfs/dbraw/zinc/65/03/92/625650392.db2.gz XKVFLFHKHDKJIY-UKRRQHHQSA-N 2 2 293.480 3.026 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1OCC2 ZINC000921577564 625686040 /nfs/dbraw/zinc/68/60/40/625686040.db2.gz LKTVQKCXGZENES-MRXNPFEDSA-N 2 2 299.418 3.023 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000917062673 624231480 /nfs/dbraw/zinc/23/14/80/624231480.db2.gz MIGDUCPQAXEXTA-GFCCVEGCSA-N 2 2 291.266 3.131 20 0 CGADLP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923521906 626160692 /nfs/dbraw/zinc/16/06/92/626160692.db2.gz YPFMZXXPAXQVMI-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923521906 626160693 /nfs/dbraw/zinc/16/06/93/626160693.db2.gz YPFMZXXPAXQVMI-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc2n1 ZINC000923535916 626162288 /nfs/dbraw/zinc/16/22/88/626162288.db2.gz KDZUTFXYAQQVJP-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc2n1 ZINC000923535916 626162293 /nfs/dbraw/zinc/16/22/93/626162293.db2.gz KDZUTFXYAQQVJP-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000838792079 626256155 /nfs/dbraw/zinc/25/61/55/626256155.db2.gz ACLZZAQYOVOWGU-UHFFFAOYSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806141650 626795807 /nfs/dbraw/zinc/79/58/07/626795807.db2.gz KSIIMEIHFMDHSL-KSZLIROESA-N 2 2 295.430 3.482 20 0 CGADLP COC1(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000759996585 626935312 /nfs/dbraw/zinc/93/53/12/626935312.db2.gz WWNFOFGLIUNFSZ-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000762382720 627107764 /nfs/dbraw/zinc/10/77/64/627107764.db2.gz WKTJROHSLNUETI-VKJFTORMSA-N 2 2 299.418 3.042 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000762382720 627107766 /nfs/dbraw/zinc/10/77/66/627107766.db2.gz WKTJROHSLNUETI-VKJFTORMSA-N 2 2 299.418 3.042 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766273064 627310342 /nfs/dbraw/zinc/31/03/42/627310342.db2.gz MVROCLJCVAYYOZ-GJZGRUSLSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766273064 627310343 /nfs/dbraw/zinc/31/03/43/627310343.db2.gz MVROCLJCVAYYOZ-GJZGRUSLSA-N 2 2 260.425 3.384 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329852 627321227 /nfs/dbraw/zinc/32/12/27/627321227.db2.gz GCYLPBBPHUIMMH-CVEARBPZSA-N 2 2 274.452 3.499 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000771825020 627734619 /nfs/dbraw/zinc/73/46/19/627734619.db2.gz VAFZDFUWMWPLCG-HNNXBMFYSA-N 2 2 275.440 3.287 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000773091301 627854155 /nfs/dbraw/zinc/85/41/55/627854155.db2.gz VWDPFEXTCVIBFH-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C ZINC000774121539 627948022 /nfs/dbraw/zinc/94/80/22/627948022.db2.gz XTBMGPVJIXNUDE-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000863653301 629632556 /nfs/dbraw/zinc/63/25/56/629632556.db2.gz HOMSWOJJOGKUCB-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000863653301 629632563 /nfs/dbraw/zinc/63/25/63/629632563.db2.gz HOMSWOJJOGKUCB-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP Cc1scc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1C ZINC000865679877 630348900 /nfs/dbraw/zinc/34/89/00/630348900.db2.gz IVDKSQSAKBMYHN-UHFFFAOYSA-N 2 2 295.477 3.173 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303909 630395374 /nfs/dbraw/zinc/39/53/74/630395374.db2.gz VYVYDKFRJDVQDN-LMSBXDPUSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303909 630395377 /nfs/dbraw/zinc/39/53/77/630395377.db2.gz VYVYDKFRJDVQDN-LMSBXDPUSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](F)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000815149774 631731218 /nfs/dbraw/zinc/73/12/18/631731218.db2.gz ZGTARAITVWCXDJ-AWEZNQCLSA-N 2 2 293.430 3.059 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817971300 632264258 /nfs/dbraw/zinc/26/42/58/632264258.db2.gz CBLXHLTVJISVJR-VXGBXAGGSA-N 2 2 284.831 3.306 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817971299 632264580 /nfs/dbraw/zinc/26/45/80/632264580.db2.gz CBLXHLTVJISVJR-NEPJUHHUSA-N 2 2 284.831 3.306 20 0 CGADLP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822750081 633014968 /nfs/dbraw/zinc/01/49/68/633014968.db2.gz HKHGJWCIWZQUHM-WDEREUQCSA-N 2 2 288.222 3.173 20 0 CGADLP Cc1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000866193198 633023941 /nfs/dbraw/zinc/02/39/41/633023941.db2.gz BGFSVUZRCIIHCF-MRXNPFEDSA-N 2 2 294.402 3.261 20 0 CGADLP Cc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000866193198 633023942 /nfs/dbraw/zinc/02/39/42/633023942.db2.gz BGFSVUZRCIIHCF-MRXNPFEDSA-N 2 2 294.402 3.261 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)[NH+](C)C ZINC000866214286 633032144 /nfs/dbraw/zinc/03/21/44/633032144.db2.gz MLSYEBQOXQDPQE-HNNXBMFYSA-N 2 2 299.462 3.486 20 0 CGADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000866697830 633232541 /nfs/dbraw/zinc/23/25/41/633232541.db2.gz ZLYQLDGAQQIEPX-UHFFFAOYSA-N 2 2 268.351 3.198 20 0 CGADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000866697830 633232545 /nfs/dbraw/zinc/23/25/45/633232545.db2.gz ZLYQLDGAQQIEPX-UHFFFAOYSA-N 2 2 268.351 3.198 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866705610 633234131 /nfs/dbraw/zinc/23/41/31/633234131.db2.gz DUOXGTNWMNYHSG-INIZCTEOSA-N 2 2 295.496 3.293 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866705610 633234136 /nfs/dbraw/zinc/23/41/36/633234136.db2.gz DUOXGTNWMNYHSG-INIZCTEOSA-N 2 2 295.496 3.293 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCC1 ZINC000830048611 633821757 /nfs/dbraw/zinc/82/17/57/633821757.db2.gz QVUSVYDYLAJZOQ-IRXDYDNUSA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1(CO)CCC1 ZINC000830048611 633821760 /nfs/dbraw/zinc/82/17/60/633821760.db2.gz QVUSVYDYLAJZOQ-IRXDYDNUSA-N 2 2 296.499 3.026 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023840 633944265 /nfs/dbraw/zinc/94/42/65/633944265.db2.gz WCZJNXOBBQDFCJ-IXDOHACOSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000872023840 633944271 /nfs/dbraw/zinc/94/42/71/633944271.db2.gz WCZJNXOBBQDFCJ-IXDOHACOSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(O)c1F ZINC000872024715 633945116 /nfs/dbraw/zinc/94/51/16/633945116.db2.gz DIEOLLAHLITWLW-GFCCVEGCSA-N 2 2 292.398 3.056 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(O)c1F ZINC000872042425 633965566 /nfs/dbraw/zinc/96/55/66/633965566.db2.gz OTTQYXHTUMRTLE-GFCCVEGCSA-N 2 2 289.354 3.079 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000872065844 633988591 /nfs/dbraw/zinc/98/85/91/633988591.db2.gz HHXZVQHWXUGOBW-PVAVHDDUSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000872065844 633988595 /nfs/dbraw/zinc/98/85/95/633988595.db2.gz HHXZVQHWXUGOBW-PVAVHDDUSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834607027 634196825 /nfs/dbraw/zinc/19/68/25/634196825.db2.gz NWOAHILXPKEJTB-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834607027 634196829 /nfs/dbraw/zinc/19/68/29/634196829.db2.gz NWOAHILXPKEJTB-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834607028 634197046 /nfs/dbraw/zinc/19/70/46/634197046.db2.gz NWOAHILXPKEJTB-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834607028 634197050 /nfs/dbraw/zinc/19/70/50/634197050.db2.gz NWOAHILXPKEJTB-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP c1cnc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000873134120 634254046 /nfs/dbraw/zinc/25/40/46/634254046.db2.gz XPIKQVAGUOJXLQ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000873134120 634254052 /nfs/dbraw/zinc/25/40/52/634254052.db2.gz XPIKQVAGUOJXLQ-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230850 634292613 /nfs/dbraw/zinc/29/26/13/634292613.db2.gz YQLLYVNYCLGDDV-JKSUJKDBSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)ccc1Cl ZINC000873230487 634292802 /nfs/dbraw/zinc/29/28/02/634292802.db2.gz SDIKNBQJGGHOAX-HUUCEWRRSA-N 2 2 264.800 3.023 20 0 CGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(Cl)cs1)CC2 ZINC000877684832 635145042 /nfs/dbraw/zinc/14/50/42/635145042.db2.gz ZZXBECSSNPINKN-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744399 635179701 /nfs/dbraw/zinc/17/97/01/635179701.db2.gz SJYDLKRJCQHXIV-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744399 635179705 /nfs/dbraw/zinc/17/97/05/635179705.db2.gz SJYDLKRJCQHXIV-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744399 635179709 /nfs/dbraw/zinc/17/97/09/635179709.db2.gz SJYDLKRJCQHXIV-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4cc(F)ccc4o3)CC[C@@H]21 ZINC000877744399 635179716 /nfs/dbraw/zinc/17/97/16/635179716.db2.gz SJYDLKRJCQHXIV-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878318952 635459221 /nfs/dbraw/zinc/45/92/21/635459221.db2.gz FUZUHPQHDGYFJT-MSOLQXFVSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878318952 635459226 /nfs/dbraw/zinc/45/92/26/635459226.db2.gz FUZUHPQHDGYFJT-MSOLQXFVSA-N 2 2 299.418 3.125 20 0 CGADLP C=C/C=C\CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878322137 635460789 /nfs/dbraw/zinc/46/07/89/635460789.db2.gz XRUDXSFGTSSDJM-ARJAWSKDSA-N 2 2 257.381 3.090 20 0 CGADLP FCCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570239 636022735 /nfs/dbraw/zinc/02/27/35/636022735.db2.gz VBCKWCBIJVDGGN-INIZCTEOSA-N 2 2 275.371 3.354 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000848601521 636617777 /nfs/dbraw/zinc/61/77/77/636617777.db2.gz ZZBQLJOMRXGUQY-UHFFFAOYSA-N 2 2 288.435 3.177 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000848601521 636617778 /nfs/dbraw/zinc/61/77/78/636617778.db2.gz ZZBQLJOMRXGUQY-UHFFFAOYSA-N 2 2 288.435 3.177 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nsc2ccccc21 ZINC000883424124 636752368 /nfs/dbraw/zinc/75/23/68/636752368.db2.gz HGZDSYZALFDCAF-YHWZYXNKSA-N 2 2 287.432 3.141 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nsc2ccccc21 ZINC000883424124 636752371 /nfs/dbraw/zinc/75/23/71/636752371.db2.gz HGZDSYZALFDCAF-YHWZYXNKSA-N 2 2 287.432 3.141 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066129 637120383 /nfs/dbraw/zinc/12/03/83/637120383.db2.gz WXFHOCDGSVSYTD-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066129 637120387 /nfs/dbraw/zinc/12/03/87/637120387.db2.gz WXFHOCDGSVSYTD-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP FC(F)(F)SCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886017210 637366397 /nfs/dbraw/zinc/36/63/97/637366397.db2.gz UPGIOPKIQQURGY-LBPRGKRZSA-N 2 2 296.402 3.190 20 0 CGADLP FC(F)(F)SCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886017210 637366401 /nfs/dbraw/zinc/36/64/01/637366401.db2.gz UPGIOPKIQQURGY-LBPRGKRZSA-N 2 2 296.402 3.190 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000886098019 637407819 /nfs/dbraw/zinc/40/78/19/637407819.db2.gz IINLVRFBIDGJRX-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000886098019 637407825 /nfs/dbraw/zinc/40/78/25/637407825.db2.gz IINLVRFBIDGJRX-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000886543839 637571805 /nfs/dbraw/zinc/57/18/05/637571805.db2.gz WGBWAHWSOINVEG-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000886543839 637571809 /nfs/dbraw/zinc/57/18/09/637571809.db2.gz WGBWAHWSOINVEG-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924550867 638360312 /nfs/dbraw/zinc/36/03/12/638360312.db2.gz GCHNJFUQGQITBR-LBPRGKRZSA-N 2 2 269.348 3.289 20 0 CGADLP Cc1cccc2c1[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000924645383 638382551 /nfs/dbraw/zinc/38/25/51/638382551.db2.gz JHDBPSQYXLGWBZ-KRWDZBQOSA-N 2 2 295.430 3.347 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659699 638385669 /nfs/dbraw/zinc/38/56/69/638385669.db2.gz FOQDLMPCCCMLEE-JOCBIADPSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659699 638385676 /nfs/dbraw/zinc/38/56/76/638385676.db2.gz FOQDLMPCCCMLEE-JOCBIADPSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C(C)(C)CO)c1ccccc1 ZINC000925060120 638444852 /nfs/dbraw/zinc/44/48/52/638444852.db2.gz MCTJIGDUHHANJQ-HUUCEWRRSA-N 2 2 292.467 3.112 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnn1C1CCC1 ZINC000925230432 638481598 /nfs/dbraw/zinc/48/15/98/638481598.db2.gz BBYIJDLUVHLNGA-CQSZACIVSA-N 2 2 299.422 3.156 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000925517412 638516864 /nfs/dbraw/zinc/51/68/64/638516864.db2.gz GTMADTXQBIGVHN-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP CCOCCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000925544393 638523731 /nfs/dbraw/zinc/52/37/31/638523731.db2.gz QRFKOLCIGSVVTC-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CCOCCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000925544393 638523737 /nfs/dbraw/zinc/52/37/37/638523737.db2.gz QRFKOLCIGSVVTC-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925685891 638568810 /nfs/dbraw/zinc/56/88/10/638568810.db2.gz PPUYCZKNAACSSU-QGTPRVQTSA-N 2 2 287.451 3.312 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925685891 638568814 /nfs/dbraw/zinc/56/88/14/638568814.db2.gz PPUYCZKNAACSSU-QGTPRVQTSA-N 2 2 287.451 3.312 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858161969 638646891 /nfs/dbraw/zinc/64/68/91/638646891.db2.gz JKBWHOXSAUBIBK-LBPRGKRZSA-N 2 2 281.831 3.006 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858161969 638646900 /nfs/dbraw/zinc/64/69/00/638646900.db2.gz JKBWHOXSAUBIBK-LBPRGKRZSA-N 2 2 281.831 3.006 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858307572 638675558 /nfs/dbraw/zinc/67/55/58/638675558.db2.gz NDAKINKJFZFTMV-LBPRGKRZSA-N 2 2 286.391 3.185 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858307572 638675562 /nfs/dbraw/zinc/67/55/62/638675562.db2.gz NDAKINKJFZFTMV-LBPRGKRZSA-N 2 2 286.391 3.185 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858385131 638699794 /nfs/dbraw/zinc/69/97/94/638699794.db2.gz JWZBAJQMWMTMFA-CQSZACIVSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858385131 638699798 /nfs/dbraw/zinc/69/97/98/638699798.db2.gz JWZBAJQMWMTMFA-CQSZACIVSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000926141172 638721042 /nfs/dbraw/zinc/72/10/42/638721042.db2.gz GYZGGDOPXKVRRF-QWHCGFSZSA-N 2 2 279.428 3.207 20 0 CGADLP C[C@H]([NH2+]CC(C)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926487244 638776481 /nfs/dbraw/zinc/77/64/81/638776481.db2.gz UIMZOARBXFRJBE-NSHDSACASA-N 2 2 256.340 3.054 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926523605 638780878 /nfs/dbraw/zinc/78/08/78/638780878.db2.gz GEJPUMMKGDZLDB-MGPQQGTHSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926523605 638780879 /nfs/dbraw/zinc/78/08/79/638780879.db2.gz GEJPUMMKGDZLDB-MGPQQGTHSA-N 2 2 272.383 3.028 20 0 CGADLP CCC(F)(F)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926757128 638807241 /nfs/dbraw/zinc/80/72/41/638807241.db2.gz POMQRAVRARTEOV-GFCCVEGCSA-N 2 2 270.367 3.444 20 0 CGADLP Cc1cnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000926953350 638828868 /nfs/dbraw/zinc/82/88/68/638828868.db2.gz AZRITCMKARHOAJ-UHFFFAOYSA-N 2 2 275.440 3.051 20 0 CGADLP Cc1cc(C)nc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000929469892 638927028 /nfs/dbraw/zinc/92/70/28/638927028.db2.gz FUKXTJXRNCAVAO-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cc(C)nc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000929469892 638927030 /nfs/dbraw/zinc/92/70/30/638927030.db2.gz FUKXTJXRNCAVAO-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC000930865302 639079700 /nfs/dbraw/zinc/07/97/00/639079700.db2.gz LXPTYWWMFBQGEM-NSHDSACASA-N 2 2 287.382 3.327 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC000930865302 639079706 /nfs/dbraw/zinc/07/97/06/639079706.db2.gz LXPTYWWMFBQGEM-NSHDSACASA-N 2 2 287.382 3.327 20 0 CGADLP C[C@H]([NH2+]C/C=C/Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887610 640210897 /nfs/dbraw/zinc/21/08/97/640210897.db2.gz LGXNEMNBRCYXQP-UXONFWTHSA-N 2 2 261.756 3.275 20 0 CGADLP Clc1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000093096124 640755248 /nfs/dbraw/zinc/75/52/48/640755248.db2.gz DMJJPOMUUDTTHH-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000093096124 640755250 /nfs/dbraw/zinc/75/52/50/640755250.db2.gz DMJJPOMUUDTTHH-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP Cc1c(F)cc[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001156929396 805756238 /nfs/dbraw/zinc/75/62/38/805756238.db2.gz VLMTVLFXONMBPB-GFCCVEGCSA-N 2 2 265.376 3.206 20 0 CGADLP Cc1c(F)cc[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156929396 805756244 /nfs/dbraw/zinc/75/62/44/805756244.db2.gz VLMTVLFXONMBPB-GFCCVEGCSA-N 2 2 265.376 3.206 20 0 CGADLP CCC[NH+]1C[C@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@@H]2C1 ZINC001157700129 805855123 /nfs/dbraw/zinc/85/51/23/805855123.db2.gz OCKXIIVQNZGQGN-GJZGRUSLSA-N 2 2 287.451 3.157 20 0 CGADLP CCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257328919 807110541 /nfs/dbraw/zinc/11/05/41/807110541.db2.gz URYFHEXUYHUCDS-CQSZACIVSA-N 2 2 261.413 3.137 20 0 CGADLP CNc1ccc(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159253901 806065925 /nfs/dbraw/zinc/06/59/25/806065925.db2.gz KHRKXBWKISLROF-OAHLLOKOSA-N 2 2 268.364 3.291 20 0 CGADLP COc1cc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001159775609 806170157 /nfs/dbraw/zinc/17/01/57/806170157.db2.gz KCHVQJLTKGCQHW-CQSZACIVSA-N 2 2 283.375 3.219 20 0 CGADLP Cc1c[nH+]c(Nc2ccc(C[NH3+])cc2C(F)(F)F)c(N)c1 ZINC001160420049 806270491 /nfs/dbraw/zinc/27/04/91/806270491.db2.gz XFXVWULEDZPKKS-UHFFFAOYSA-N 2 2 296.296 3.193 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH+](C)CC1 ZINC001254532472 806444215 /nfs/dbraw/zinc/44/42/15/806444215.db2.gz SWIREHQPKUDGAQ-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[NH+](C)CC1 ZINC001254532472 806444218 /nfs/dbraw/zinc/44/42/18/806444218.db2.gz SWIREHQPKUDGAQ-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532472 806444220 /nfs/dbraw/zinc/44/42/20/806444220.db2.gz SWIREHQPKUDGAQ-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532472 806444224 /nfs/dbraw/zinc/44/42/24/806444224.db2.gz SWIREHQPKUDGAQ-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C1C[NH+]2CCC1C[C@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001254836135 806493422 /nfs/dbraw/zinc/49/34/22/806493422.db2.gz JUWJAAPKBCSENJ-LESVLKBLSA-N 2 2 274.452 3.029 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254843708 806495729 /nfs/dbraw/zinc/49/57/29/806495729.db2.gz JILMDIMABBJCEZ-WMLDXEAASA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846344 806497550 /nfs/dbraw/zinc/49/75/50/806497550.db2.gz UFKMTRRJUCUVIS-JCYILVPMSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CCC2 ZINC001254849479 806498900 /nfs/dbraw/zinc/49/89/00/806498900.db2.gz BPDRVFNMRGAVJQ-HKUYNNGSSA-N 2 2 284.447 3.446 20 0 CGADLP CCc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(CC)[nH+]1 ZINC001162074120 806502477 /nfs/dbraw/zinc/50/24/77/806502477.db2.gz SCLRQTMNTCVHQO-UHFFFAOYSA-N 2 2 290.455 3.323 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2Cc3ccccc3C2)cc1 ZINC001255020219 806528813 /nfs/dbraw/zinc/52/88/13/806528813.db2.gz UJYUQTMDNBJFGO-UHFFFAOYSA-N 2 2 289.382 3.349 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2Cc3ccccc3C2)CC1 ZINC001255029330 806529828 /nfs/dbraw/zinc/52/98/28/806529828.db2.gz NUEYGGROWHJTNW-UHFFFAOYSA-N 2 2 298.474 3.493 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2Cc3ccccc3C2)CC1 ZINC001255029330 806529836 /nfs/dbraw/zinc/52/98/36/806529836.db2.gz NUEYGGROWHJTNW-UHFFFAOYSA-N 2 2 298.474 3.493 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001162258385 806543106 /nfs/dbraw/zinc/54/31/06/806543106.db2.gz KMWPFQNYWSVRQG-KGLIPLIRSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001162258385 806543111 /nfs/dbraw/zinc/54/31/11/806543111.db2.gz KMWPFQNYWSVRQG-KGLIPLIRSA-N 2 2 290.455 3.134 20 0 CGADLP CCCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(CCC)[nH+]1 ZINC001162391224 806573439 /nfs/dbraw/zinc/57/34/39/806573439.db2.gz AOLHFVFXRBNOOQ-OCCSQVGLSA-N 2 2 276.428 3.063 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001162392671 806575454 /nfs/dbraw/zinc/57/54/54/806575454.db2.gz RGRCIIGLAWTROR-KBPBESRZSA-N 2 2 259.328 3.056 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001255325898 806613578 /nfs/dbraw/zinc/61/35/78/806613578.db2.gz KXAZVVOXAQOFEZ-ULQDDVLXSA-N 2 2 287.451 3.024 20 0 CGADLP Cc1[nH+]cn(C2CCC(C(C)(C)C)CC2)c1CC[NH3+] ZINC001255496564 806652597 /nfs/dbraw/zinc/65/25/97/806652597.db2.gz WOVWSXWKFBLOMD-UHFFFAOYSA-N 2 2 263.429 3.470 20 0 CGADLP c1ccc2cc(NC3CC4(C3)CCC[NH2+]C4)[nH+]cc2c1 ZINC001162981869 806689373 /nfs/dbraw/zinc/68/93/73/806689373.db2.gz TVSNJAWJNWBECO-UHFFFAOYSA-N 2 2 267.376 3.179 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255697982 806709806 /nfs/dbraw/zinc/70/98/06/806709806.db2.gz VHOPYAPNWMRXNJ-MCIONIFRSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255697982 806709810 /nfs/dbraw/zinc/70/98/10/806709810.db2.gz VHOPYAPNWMRXNJ-MCIONIFRSA-N 2 2 292.389 3.427 20 0 CGADLP Nc1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc[nH+]1 ZINC000159320391 799072985 /nfs/dbraw/zinc/07/29/85/799072985.db2.gz KHBLLYLLOBRBEZ-UHFFFAOYSA-N 2 2 268.364 3.398 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000342937280 799292008 /nfs/dbraw/zinc/29/20/08/799292008.db2.gz GTUOQTOGHZTRCO-GOEBONIOSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000342937280 799292014 /nfs/dbraw/zinc/29/20/14/799292014.db2.gz GTUOQTOGHZTRCO-GOEBONIOSA-N 2 2 269.392 3.489 20 0 CGADLP Cc1[nH+]cn([C@H](C)CSc2ccc(C)cc2)c1CC[NH3+] ZINC001255753012 806736903 /nfs/dbraw/zinc/73/69/03/806736903.db2.gz NHNRXAXPGPVFED-CYBMUJFWSA-N 2 2 289.448 3.354 20 0 CGADLP Cc1[nH+]ccc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1Cl ZINC000355687538 799332931 /nfs/dbraw/zinc/33/29/31/799332931.db2.gz XNEALRQIVHOXKP-LBPRGKRZSA-N 2 2 290.798 3.161 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2s1 ZINC000693931890 799818428 /nfs/dbraw/zinc/81/84/28/799818428.db2.gz QXJOGSRZLUDDRR-OLZOCXBDSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc2ccccc2s1 ZINC000693931890 799818432 /nfs/dbraw/zinc/81/84/32/799818432.db2.gz QXJOGSRZLUDDRR-OLZOCXBDSA-N 2 2 289.448 3.431 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001255959357 806800439 /nfs/dbraw/zinc/80/04/39/806800439.db2.gz KZWAGNHTIMUUKC-MELADBBJSA-N 2 2 274.399 3.084 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001255959357 806800447 /nfs/dbraw/zinc/80/04/47/806800447.db2.gz KZWAGNHTIMUUKC-MELADBBJSA-N 2 2 274.399 3.084 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)[C@H](C)CC[NH+](CC)CC)CC1 ZINC001255968777 806802974 /nfs/dbraw/zinc/80/29/74/806802974.db2.gz IGEAGQAKUKETEK-QGZVFWFLSA-N 3 2 297.531 3.303 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CC[NH+](CC)CC)CC1 ZINC001255968777 806802981 /nfs/dbraw/zinc/80/29/81/806802981.db2.gz IGEAGQAKUKETEK-QGZVFWFLSA-N 3 2 297.531 3.303 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000715560765 800138901 /nfs/dbraw/zinc/13/89/01/800138901.db2.gz DWSCMZNIBHDRRD-NEPJUHHUSA-N 2 2 286.341 3.066 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ncccc1C ZINC001256067639 806809826 /nfs/dbraw/zinc/80/98/26/806809826.db2.gz WSMAEMFHRRFIOY-MRXNPFEDSA-N 2 2 273.424 3.058 20 0 CGADLP FC1(F)CC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075078 806813051 /nfs/dbraw/zinc/81/30/51/806813051.db2.gz CBWNDTQGKWNNLB-UHFFFAOYSA-N 2 2 284.394 3.125 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074032 806813084 /nfs/dbraw/zinc/81/30/84/806813084.db2.gz IWYMDJZPBDSJBT-LBPRGKRZSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1c(C)n(-c2cc(C)[nH+]c(C)n2)c2ccc(C[NH3+])cc12 ZINC001163755905 806818743 /nfs/dbraw/zinc/81/87/43/806818743.db2.gz OPDLVQOFBYWEKS-UHFFFAOYSA-N 2 2 280.375 3.113 20 0 CGADLP CCC1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC000721532693 800292595 /nfs/dbraw/zinc/29/25/95/800292595.db2.gz DATXBTXVTOFDAQ-IUPXNIOVSA-N 2 2 272.436 3.341 20 0 CGADLP CCC1CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC000721532693 800292604 /nfs/dbraw/zinc/29/26/04/800292604.db2.gz DATXBTXVTOFDAQ-IUPXNIOVSA-N 2 2 272.436 3.341 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722104044 800308869 /nfs/dbraw/zinc/30/88/69/800308869.db2.gz PKWUXPMLWRDLAW-NSHDSACASA-N 2 2 298.217 3.411 20 0 CGADLP Cc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)nc(C)[nH+]1 ZINC001163896784 806847780 /nfs/dbraw/zinc/84/77/80/806847780.db2.gz IOAGPFMNVOBYAC-UHFFFAOYSA-N 2 2 286.766 3.149 20 0 CGADLP Cc1cc(N2CC[NH+]([C@H](C)CCC(C)C)CC2)nc(C)[nH+]1 ZINC001256368727 806871784 /nfs/dbraw/zinc/87/17/84/806871784.db2.gz PBLWNKYSGJXTAX-OAHLLOKOSA-N 2 2 290.455 3.040 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536851 806912429 /nfs/dbraw/zinc/91/24/29/806912429.db2.gz GTGLRYQVZORNBG-DOTOQJQBSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536851 806912432 /nfs/dbraw/zinc/91/24/32/806912432.db2.gz GTGLRYQVZORNBG-DOTOQJQBSA-N 2 2 290.476 3.088 20 0 CGADLP c1cc(C[NH+]2CCC([N@@H+]3CC[C@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256589417 806922206 /nfs/dbraw/zinc/92/22/06/806922206.db2.gz YHQGUWLASRHBGC-QZTJIDSGSA-N 2 2 299.462 3.168 20 0 CGADLP c1cc(C[NH+]2CCC([N@H+]3CC[C@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC001256589417 806922210 /nfs/dbraw/zinc/92/22/10/806922210.db2.gz YHQGUWLASRHBGC-QZTJIDSGSA-N 2 2 299.462 3.168 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@@H](C[NH3+])CC[C@H]3C)[nH+]c12 ZINC001164460481 806950782 /nfs/dbraw/zinc/95/07/82/806950782.db2.gz DLIUKYOGCOGFCM-HUUCEWRRSA-N 2 2 283.419 3.415 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])CN1c1cc(-c2ccccc2)cc[nH+]1 ZINC001164462374 806951904 /nfs/dbraw/zinc/95/19/04/806951904.db2.gz OADOQQZBUMPIOD-LSDHHAIUSA-N 2 2 281.403 3.312 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(Cl)cccc1Cl ZINC001118019090 802519276 /nfs/dbraw/zinc/51/92/76/802519276.db2.gz MZPRXGWVSJUWAQ-SECBINFHSA-N 2 2 261.196 3.081 20 0 CGADLP c1ccc(N2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)[nH+]c1 ZINC001277755076 809093596 /nfs/dbraw/zinc/09/35/96/809093596.db2.gz XHQVEUXHDIQTAB-IYBDPMFKSA-N 2 2 285.435 3.172 20 0 CGADLP c1ccc(N2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)[nH+]c1 ZINC001277755076 809093603 /nfs/dbraw/zinc/09/36/03/809093603.db2.gz XHQVEUXHDIQTAB-IYBDPMFKSA-N 2 2 285.435 3.172 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1F ZINC001205281071 812929172 /nfs/dbraw/zinc/92/91/72/812929172.db2.gz PGGYPVGXUXSYSF-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1F ZINC001205281071 812929177 /nfs/dbraw/zinc/92/91/77/812929177.db2.gz PGGYPVGXUXSYSF-INIZCTEOSA-N 2 2 298.377 3.067 20 0 CGADLP CNc1cc(-c2ccc([C@@H]3CC[N@H+](C)C3)cc2)cc[nH+]1 ZINC001244978587 803601467 /nfs/dbraw/zinc/60/14/67/803601467.db2.gz VFCWGEBJJQMTPE-MRXNPFEDSA-N 2 2 267.376 3.209 20 0 CGADLP CNc1cc(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)cc[nH+]1 ZINC001244978587 803601470 /nfs/dbraw/zinc/60/14/70/803601470.db2.gz VFCWGEBJJQMTPE-MRXNPFEDSA-N 2 2 267.376 3.209 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138113731 803859386 /nfs/dbraw/zinc/85/93/86/803859386.db2.gz QDHKKWXVESLWOH-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138113731 803859394 /nfs/dbraw/zinc/85/93/94/803859394.db2.gz QDHKKWXVESLWOH-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@H+](Cc1cc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001138416010 803922814 /nfs/dbraw/zinc/92/28/14/803922814.db2.gz QBJKHVJCKXSXDJ-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1cc2cc(C)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001138416010 803922821 /nfs/dbraw/zinc/92/28/21/803922821.db2.gz QBJKHVJCKXSXDJ-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP c1cn(Cc2ccccc2-c2ccc3c[nH+]cn3c2)c[nH+]1 ZINC001245895994 804022299 /nfs/dbraw/zinc/02/22/99/804022299.db2.gz JAKNOYFVXIROGE-UHFFFAOYSA-N 2 2 274.327 3.246 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246078129 804116202 /nfs/dbraw/zinc/11/62/02/804116202.db2.gz VECOKLZPVMBQKD-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[NH2+]1 ZINC001246082104 804119422 /nfs/dbraw/zinc/11/94/22/804119422.db2.gz VXYUGNATKIBRDA-YOEHRIQHSA-N 2 2 266.388 3.194 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246089030 804121894 /nfs/dbraw/zinc/12/18/94/804121894.db2.gz BAYGESYZIANMBN-JSGCOSHPSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246112713 804145234 /nfs/dbraw/zinc/14/52/34/804145234.db2.gz MGIUHWZQRONKAM-NFAWXSAZSA-N 2 2 296.455 3.284 20 0 CGADLP CCCCCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148261 804168526 /nfs/dbraw/zinc/16/85/26/804168526.db2.gz RDKGCONRDIMKIR-IAGOWNOFSA-N 3 2 295.515 3.199 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1cccc2ccccc21 ZINC001246155617 804172453 /nfs/dbraw/zinc/17/24/53/804172453.db2.gz WNMDBKAGEVRJDB-GUTXKFCHSA-N 2 2 254.377 3.241 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191097 804200722 /nfs/dbraw/zinc/20/07/22/804200722.db2.gz UBBIDVVELPEFBL-SWLSCSKDSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197042 804203997 /nfs/dbraw/zinc/20/39/97/804203997.db2.gz XVHXDHUYCITXCH-IXDOHACOSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197042 804204005 /nfs/dbraw/zinc/20/40/05/804204005.db2.gz XVHXDHUYCITXCH-IXDOHACOSA-N 3 2 295.515 3.007 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+]C2CC[NH2+]CC2)c1Cl ZINC001246224636 804218836 /nfs/dbraw/zinc/21/88/36/804218836.db2.gz IEYXDTZIPRGQSL-UHFFFAOYSA-N 2 2 292.732 3.200 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282756 804258073 /nfs/dbraw/zinc/25/80/73/804258073.db2.gz FPVJWDHJZCXVQA-QGZVFWFLSA-N 3 2 285.520 3.386 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282756 804258080 /nfs/dbraw/zinc/25/80/80/804258080.db2.gz FPVJWDHJZCXVQA-QGZVFWFLSA-N 3 2 285.520 3.386 20 0 CGADLP Fc1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246411267 804326308 /nfs/dbraw/zinc/32/63/08/804326308.db2.gz TXHHLTJBDNBIKC-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]CC[NH2+]C(C)C)cc1 ZINC001246453430 804335062 /nfs/dbraw/zinc/33/50/62/804335062.db2.gz OAPPSAHCEBWVNE-CQSZACIVSA-N 2 2 266.454 3.063 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246468904 804347381 /nfs/dbraw/zinc/34/73/81/804347381.db2.gz LVSCKGLJHYRYBO-RRQGHBQHSA-N 2 2 260.425 3.430 20 0 CGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC001246468919 804347620 /nfs/dbraw/zinc/34/76/20/804347620.db2.gz MMCZLZHWRAKAOA-BTQFLJHSSA-N 2 2 280.362 3.289 20 0 CGADLP CO[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140025853 804355925 /nfs/dbraw/zinc/35/59/25/804355925.db2.gz DLGUADWZKKKSPM-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140025853 804355934 /nfs/dbraw/zinc/35/59/34/804355934.db2.gz DLGUADWZKKKSPM-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC(C)(C)C1 ZINC001140023782 804356202 /nfs/dbraw/zinc/35/62/02/804356202.db2.gz XLNLMOIIJFBJQL-UHFFFAOYSA-N 2 2 255.365 3.023 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246502359 804364743 /nfs/dbraw/zinc/36/47/43/804364743.db2.gz VLMNWEICUVSMEK-LRDDRELGSA-N 2 2 278.827 3.449 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC001246508797 804366748 /nfs/dbraw/zinc/36/67/48/804366748.db2.gz DTNMLRCIOHPEIU-KMFMINBZSA-N 2 2 290.451 3.499 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC001246512476 804367545 /nfs/dbraw/zinc/36/75/45/804367545.db2.gz UHWNWAWZNQODML-HOCLYGCPSA-N 2 2 276.424 3.253 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)Cc2ccc(C)cc2)c1 ZINC001246513013 804368144 /nfs/dbraw/zinc/36/81/44/804368144.db2.gz UPILVAJANZZQBM-KXBFYZLASA-N 2 2 298.430 3.224 20 0 CGADLP CCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246523266 804378828 /nfs/dbraw/zinc/37/88/28/804378828.db2.gz FXJVNIPASFQVKW-XJKSGUPXSA-N 2 2 292.423 3.031 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001246540974 804390248 /nfs/dbraw/zinc/39/02/48/804390248.db2.gz NDVKKOIMDPBRCK-CABCVRRESA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001246540974 804390257 /nfs/dbraw/zinc/39/02/57/804390257.db2.gz NDVKKOIMDPBRCK-CABCVRRESA-N 2 2 278.465 3.289 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246545952 804392944 /nfs/dbraw/zinc/39/29/44/804392944.db2.gz LUQSBYWUJGUINE-UBHSHLNASA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246545952 804392951 /nfs/dbraw/zinc/39/29/51/804392951.db2.gz LUQSBYWUJGUINE-UBHSHLNASA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546199 804395413 /nfs/dbraw/zinc/39/54/13/804395413.db2.gz ZTNVCOHFRAAFAO-WFASDCNBSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546199 804395421 /nfs/dbraw/zinc/39/54/21/804395421.db2.gz ZTNVCOHFRAAFAO-WFASDCNBSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559354 804408495 /nfs/dbraw/zinc/40/84/95/804408495.db2.gz PGGHBRTXEXJLNW-GXTWGEPZSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559354 804408500 /nfs/dbraw/zinc/40/85/00/804408500.db2.gz PGGHBRTXEXJLNW-GXTWGEPZSA-N 2 2 282.428 3.120 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]13CCC[NH2+]C3)C2 ZINC001246605621 804441713 /nfs/dbraw/zinc/44/17/13/804441713.db2.gz PWAJDACLHFQZCC-IRXDYDNUSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]13CCC[NH2+]C3)C2 ZINC001246605621 804441716 /nfs/dbraw/zinc/44/17/16/804441716.db2.gz PWAJDACLHFQZCC-IRXDYDNUSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610045 804444439 /nfs/dbraw/zinc/44/44/39/804444439.db2.gz NRPBRQMETUWJAS-WMLDXEAASA-N 2 2 290.838 3.025 20 0 CGADLP Clc1cccc2c1C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610045 804444442 /nfs/dbraw/zinc/44/44/42/804444442.db2.gz NRPBRQMETUWJAS-WMLDXEAASA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246641086 804469184 /nfs/dbraw/zinc/46/91/84/804469184.db2.gz GUGKCESCCFHEQL-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246641086 804469188 /nfs/dbraw/zinc/46/91/88/804469188.db2.gz GUGKCESCCFHEQL-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@H]1CC([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@H](C)C1 ZINC001246648660 804475357 /nfs/dbraw/zinc/47/53/57/804475357.db2.gz RKDISCFDMFVWIU-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1CC([N@H+]2CCCCC23CC[NH2+]CC3)C[C@H](C)C1 ZINC001246648660 804475360 /nfs/dbraw/zinc/47/53/60/804475360.db2.gz RKDISCFDMFVWIU-HUUCEWRRSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246663876 804487261 /nfs/dbraw/zinc/48/72/61/804487261.db2.gz NJKCBJOPCDMBNE-BHYGNILZSA-N 2 2 270.420 3.136 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246663876 804487266 /nfs/dbraw/zinc/48/72/66/804487266.db2.gz NJKCBJOPCDMBNE-BHYGNILZSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777927 804506318 /nfs/dbraw/zinc/50/63/18/804506318.db2.gz LHOYGYNSJQENAR-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2cccnc2)CC[NH2+]1 ZINC001246777927 804506327 /nfs/dbraw/zinc/50/63/27/804506327.db2.gz LHOYGYNSJQENAR-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246798254 804519490 /nfs/dbraw/zinc/51/94/90/804519490.db2.gz NLJCFUHLFCURLM-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001246798254 804519493 /nfs/dbraw/zinc/51/94/93/804519493.db2.gz NLJCFUHLFCURLM-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801327 804521089 /nfs/dbraw/zinc/52/10/89/804521089.db2.gz UCPQNWFLLBISRJ-UXIGCNINSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801327 804521094 /nfs/dbraw/zinc/52/10/94/804521094.db2.gz UCPQNWFLLBISRJ-UXIGCNINSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801324 804521340 /nfs/dbraw/zinc/52/13/40/804521340.db2.gz UCPQNWFLLBISRJ-KYOSRNDESA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801324 804521343 /nfs/dbraw/zinc/52/13/43/804521343.db2.gz UCPQNWFLLBISRJ-KYOSRNDESA-N 2 2 298.352 3.245 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001246804534 804523363 /nfs/dbraw/zinc/52/33/63/804523363.db2.gz QIZWATMMUFSZCR-LBPRGKRZSA-N 2 2 298.833 3.484 20 0 CGADLP O=C1CCC2(CC1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805582 804523689 /nfs/dbraw/zinc/52/36/89/804523689.db2.gz JOWBPUBLOFYHDE-UHFFFAOYSA-N 2 2 297.402 3.288 20 0 CGADLP CC[N@H+](Cc1ccc(OC)cc1Cl)C1CC[NH+](C)CC1 ZINC001140821073 804528901 /nfs/dbraw/zinc/52/89/01/804528901.db2.gz GNJFAIMFENFKFN-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)cc1Cl)C1CC[NH+](C)CC1 ZINC001140821073 804528906 /nfs/dbraw/zinc/52/89/06/804528906.db2.gz GNJFAIMFENFKFN-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848559 804557422 /nfs/dbraw/zinc/55/74/22/804557422.db2.gz WLKYPJKDTJVIMR-QZTJIDSGSA-N 2 2 284.447 3.368 20 0 CGADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCCCC34CC4)CC[NH2+]2)cc1 ZINC001246848559 804557428 /nfs/dbraw/zinc/55/74/28/804557428.db2.gz WLKYPJKDTJVIMR-QZTJIDSGSA-N 2 2 284.447 3.368 20 0 CGADLP CCCCc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001141067916 804582268 /nfs/dbraw/zinc/58/22/68/804582268.db2.gz RJZSAYWSZNVIOT-ZIAGYGMSSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001141067916 804582271 /nfs/dbraw/zinc/58/22/71/804582271.db2.gz RJZSAYWSZNVIOT-ZIAGYGMSSA-N 2 2 261.413 3.374 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952298 804615559 /nfs/dbraw/zinc/61/55/59/804615559.db2.gz JAWSJADGPHBRNH-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952298 804615565 /nfs/dbraw/zinc/61/55/65/804615565.db2.gz JAWSJADGPHBRNH-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP c1cncc(C[N@H+]([C@H]2CCC[NH2+]C2)C2CCCCCC2)c1 ZINC001246954379 804618036 /nfs/dbraw/zinc/61/80/36/804618036.db2.gz YUPRCOZSRBXOMQ-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP c1cncc(C[N@@H+]([C@H]2CCC[NH2+]C2)C2CCCCCC2)c1 ZINC001246954379 804618039 /nfs/dbraw/zinc/61/80/39/804618039.db2.gz YUPRCOZSRBXOMQ-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963482 804619464 /nfs/dbraw/zinc/61/94/64/804619464.db2.gz KSQZBWONPAGHTC-KBAYOESNSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963482 804619467 /nfs/dbraw/zinc/61/94/67/804619467.db2.gz KSQZBWONPAGHTC-KBAYOESNSA-N 2 2 287.451 3.214 20 0 CGADLP CCCC[N@H+](CC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236391 804621238 /nfs/dbraw/zinc/62/12/38/804621238.db2.gz BMYGLSTZHCLKOD-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCC[N@@H+](CC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236391 804621239 /nfs/dbraw/zinc/62/12/39/804621239.db2.gz BMYGLSTZHCLKOD-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979274 804625742 /nfs/dbraw/zinc/62/57/42/804625742.db2.gz OHBIWJOSWIHYTN-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246979274 804625746 /nfs/dbraw/zinc/62/57/46/804625746.db2.gz OHBIWJOSWIHYTN-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP c1cc2cccc(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)c2[nH]1 ZINC001144712022 805036306 /nfs/dbraw/zinc/03/63/06/805036306.db2.gz HPCZNLUIJLGUAE-UHFFFAOYSA-N 2 2 295.430 3.086 20 0 CGADLP c1cc2cccc(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)c2[nH]1 ZINC001144712022 805036315 /nfs/dbraw/zinc/03/63/15/805036315.db2.gz HPCZNLUIJLGUAE-UHFFFAOYSA-N 2 2 295.430 3.086 20 0 CGADLP CCSc1ccccc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001249441111 805151616 /nfs/dbraw/zinc/15/16/16/805151616.db2.gz OAOKYLIIWMEIQU-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP Fc1cccc2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc12 ZINC001155064832 805532532 /nfs/dbraw/zinc/53/25/32/805532532.db2.gz UIXQMWNEVVISEE-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CCOC3(C)C)CC2)CC1 ZINC001257223926 807064820 /nfs/dbraw/zinc/06/48/20/807064820.db2.gz IOFRMJWQYFUFTL-UHFFFAOYSA-N 2 2 294.483 3.140 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257258207 807073736 /nfs/dbraw/zinc/07/37/36/807073736.db2.gz DGJIYNUXLJHREI-BQFCYCMXSA-N 2 2 287.451 3.024 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257357663 807121724 /nfs/dbraw/zinc/12/17/24/807121724.db2.gz RSMXAKIMCUEXLE-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257357663 807121728 /nfs/dbraw/zinc/12/17/28/807121728.db2.gz RSMXAKIMCUEXLE-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](C)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257369882 807128017 /nfs/dbraw/zinc/12/80/17/807128017.db2.gz WRBKWUFZBFBOTI-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@@H](C)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257369882 807128020 /nfs/dbraw/zinc/12/80/20/807128020.db2.gz WRBKWUFZBFBOTI-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257414728 807144630 /nfs/dbraw/zinc/14/46/30/807144630.db2.gz RYEPZYLIPMZVCA-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257414728 807144633 /nfs/dbraw/zinc/14/46/33/807144633.db2.gz RYEPZYLIPMZVCA-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167910555 807272499 /nfs/dbraw/zinc/27/24/99/807272499.db2.gz UHNLJTHSGOTFHD-MANSERQUSA-N 2 2 284.447 3.082 20 0 CGADLP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@H](C)C1 ZINC001258156119 807324586 /nfs/dbraw/zinc/32/45/86/807324586.db2.gz MUFLHULUQQVLLA-MCIONIFRSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1CC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@H](C)C1 ZINC001258156119 807324594 /nfs/dbraw/zinc/32/45/94/807324594.db2.gz MUFLHULUQQVLLA-MCIONIFRSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001168171887 807333401 /nfs/dbraw/zinc/33/34/01/807333401.db2.gz YHJSGBVTNZKSQH-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001168171887 807333410 /nfs/dbraw/zinc/33/34/10/807333410.db2.gz YHJSGBVTNZKSQH-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@@H](C)C1 ZINC001258167482 807333783 /nfs/dbraw/zinc/33/37/83/807333783.db2.gz KBBLIYWJFHXFFM-FOLVSLTJSA-N 2 2 261.413 3.345 20 0 CGADLP CSCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258214625 807370097 /nfs/dbraw/zinc/37/00/97/807370097.db2.gz KBXVRXBRMPAVEU-CYBMUJFWSA-N 2 2 280.437 3.066 20 0 CGADLP CC1(C)CCC[C@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299042 807403661 /nfs/dbraw/zinc/40/36/61/807403661.db2.gz XHZBRGYBJFCMRI-JYJNAYRXSA-N 2 2 282.447 3.463 20 0 CGADLP CC1(C)CCC[C@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299042 807403664 /nfs/dbraw/zinc/40/36/64/807403664.db2.gz XHZBRGYBJFCMRI-JYJNAYRXSA-N 2 2 282.447 3.463 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168399884 807404837 /nfs/dbraw/zinc/40/48/37/807404837.db2.gz FALOUXOZXZDCRB-KRWDZBQOSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168399884 807404842 /nfs/dbraw/zinc/40/48/42/807404842.db2.gz FALOUXOZXZDCRB-KRWDZBQOSA-N 2 2 278.415 3.005 20 0 CGADLP CC[N@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168736233 807499731 /nfs/dbraw/zinc/49/97/31/807499731.db2.gz WPUYJWBAAQFNBO-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168736233 807499737 /nfs/dbraw/zinc/49/97/37/807499737.db2.gz WPUYJWBAAQFNBO-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258703593 807558561 /nfs/dbraw/zinc/55/85/61/807558561.db2.gz JLEGNTBPXVCJLQ-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258703593 807558565 /nfs/dbraw/zinc/55/85/65/807558565.db2.gz JLEGNTBPXVCJLQ-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258755880 807595645 /nfs/dbraw/zinc/59/56/45/807595645.db2.gz CBXQHPNPAKNXCB-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258755880 807595647 /nfs/dbraw/zinc/59/56/47/807595647.db2.gz CBXQHPNPAKNXCB-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155581 807596103 /nfs/dbraw/zinc/59/61/03/807596103.db2.gz RRTKGEVKZXNICB-ZSHCYNCHSA-N 2 2 276.811 3.281 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155581 807596109 /nfs/dbraw/zinc/59/61/09/807596109.db2.gz RRTKGEVKZXNICB-ZSHCYNCHSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155581 807596116 /nfs/dbraw/zinc/59/61/16/807596116.db2.gz RRTKGEVKZXNICB-ZSHCYNCHSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155581 807596122 /nfs/dbraw/zinc/59/61/22/807596122.db2.gz RRTKGEVKZXNICB-ZSHCYNCHSA-N 2 2 276.811 3.281 20 0 CGADLP CCCC[C@@H](CCC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258759518 807598630 /nfs/dbraw/zinc/59/86/30/807598630.db2.gz BIDVNIHXAIFHPI-CQSZACIVSA-N 2 2 263.429 3.411 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258789358 807614377 /nfs/dbraw/zinc/61/43/77/807614377.db2.gz ZSTYNKRLRMOYFM-KBPBESRZSA-N 2 2 250.386 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001169258753 807616393 /nfs/dbraw/zinc/61/63/93/807616393.db2.gz QFVXCSOOUFWNDA-KRWDZBQOSA-N 2 2 290.476 3.261 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001169258753 807616395 /nfs/dbraw/zinc/61/63/95/807616395.db2.gz QFVXCSOOUFWNDA-KRWDZBQOSA-N 2 2 290.476 3.261 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C(C)C)CC1 ZINC001258805911 807625776 /nfs/dbraw/zinc/62/57/76/807625776.db2.gz BXAIMBMQAIDGDS-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C(C)C)CC1 ZINC001258805911 807625779 /nfs/dbraw/zinc/62/57/79/807625779.db2.gz BXAIMBMQAIDGDS-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819103 807636325 /nfs/dbraw/zinc/63/63/25/807636325.db2.gz CDHHSFCHWWVXLN-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819103 807636329 /nfs/dbraw/zinc/63/63/29/807636329.db2.gz CDHHSFCHWWVXLN-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819103 807636331 /nfs/dbraw/zinc/63/63/31/807636331.db2.gz CDHHSFCHWWVXLN-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258819103 807636335 /nfs/dbraw/zinc/63/63/35/807636335.db2.gz CDHHSFCHWWVXLN-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CCC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258828197 807643225 /nfs/dbraw/zinc/64/32/25/807643225.db2.gz JKAAVZPOBBUIMW-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1ccc2cc(NCC34CC[NH+](CC3)CC4)[nH+]cc2c1 ZINC001169792991 807708801 /nfs/dbraw/zinc/70/88/01/807708801.db2.gz IPCLLMHIXMOZOV-UHFFFAOYSA-N 2 2 281.403 3.441 20 0 CGADLP Cc1occc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001261367176 807739374 /nfs/dbraw/zinc/73/93/74/807739374.db2.gz VIRFUWSQUFMIFB-MRXNPFEDSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1occc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001261367176 807739379 /nfs/dbraw/zinc/73/93/79/807739379.db2.gz VIRFUWSQUFMIFB-MRXNPFEDSA-N 2 2 285.391 3.368 20 0 CGADLP C[C@H]1CC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001170120523 807766121 /nfs/dbraw/zinc/76/61/21/807766121.db2.gz IIBVSGDSDHJEDA-SWLSCSKDSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001170131694 807770037 /nfs/dbraw/zinc/77/00/37/807770037.db2.gz KEPDVCNIQJWYSF-KBPBESRZSA-N 2 2 260.381 3.113 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)C2)C1 ZINC001170160288 807781390 /nfs/dbraw/zinc/78/13/90/807781390.db2.gz HVCYCDJHIUEQRW-AEGPPILISA-N 2 2 260.381 3.032 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)C2)C1 ZINC001170160288 807781395 /nfs/dbraw/zinc/78/13/95/807781395.db2.gz HVCYCDJHIUEQRW-AEGPPILISA-N 2 2 260.381 3.032 20 0 CGADLP FC(F)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001262193116 807835340 /nfs/dbraw/zinc/83/53/40/807835340.db2.gz ATZOJTZPQSQSHU-UHFFFAOYSA-N 2 2 271.336 3.069 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170892445 807927325 /nfs/dbraw/zinc/92/73/25/807927325.db2.gz GUXAAHDKXCFDSO-CABCVRRESA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170892445 807927331 /nfs/dbraw/zinc/92/73/31/807927331.db2.gz GUXAAHDKXCFDSO-CABCVRRESA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016843 807961820 /nfs/dbraw/zinc/96/18/20/807961820.db2.gz BPYSOSIQOUXHJY-HUUCEWRRSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016843 807961821 /nfs/dbraw/zinc/96/18/21/807961821.db2.gz BPYSOSIQOUXHJY-HUUCEWRRSA-N 2 2 292.854 3.270 20 0 CGADLP Fc1cccc2c1CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171439423 808056441 /nfs/dbraw/zinc/05/64/41/808056441.db2.gz YTMJQELNWRNELS-MRXNPFEDSA-N 2 2 299.393 3.217 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC001171654259 808112374 /nfs/dbraw/zinc/11/23/74/808112374.db2.gz PRGZPBCERPGFKI-INIZCTEOSA-N 2 2 260.425 3.002 20 0 CGADLP Cc1[nH+]cn([C@@H](C)CCc2ccc(C)cc2)c1CC[NH3+] ZINC001171657136 808112838 /nfs/dbraw/zinc/11/28/38/808112838.db2.gz CICBNFLQMHRFEF-AWEZNQCLSA-N 2 2 271.408 3.195 20 0 CGADLP c1cn2cc(C[NH2+][C@@H]3CSc4ccccc4C3)ccc2[nH+]1 ZINC001172194871 808195251 /nfs/dbraw/zinc/19/52/51/808195251.db2.gz XBFNZPLNBDPCIF-HNNXBMFYSA-N 2 2 295.411 3.141 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC001172366971 808261881 /nfs/dbraw/zinc/26/18/81/808261881.db2.gz IQQYNFWDCMWLIV-NFAWXSAZSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@H]1C ZINC001172372988 808266959 /nfs/dbraw/zinc/26/69/59/808266959.db2.gz IMRHVXRXWCGZCX-KZNAEPCWSA-N 3 2 297.531 3.017 20 0 CGADLP Cc1ccc2c(c1)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172840948 808456674 /nfs/dbraw/zinc/45/66/74/808456674.db2.gz DFYYNYCYSYLEHO-SJLPKXTDSA-N 2 2 295.430 3.389 20 0 CGADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173212067 808537801 /nfs/dbraw/zinc/53/78/01/808537801.db2.gz VAHGOWHUZVUJLV-NIKGAXFTSA-N 2 2 280.415 3.286 20 0 CGADLP CCSC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173298734 808597984 /nfs/dbraw/zinc/59/79/84/808597984.db2.gz QPNSTKRRLISESE-KKUMJFAQSA-N 2 2 293.480 3.300 20 0 CGADLP CC(C)CC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275096760 808907565 /nfs/dbraw/zinc/90/75/65/808907565.db2.gz RIUHJIXMWZTGEI-UHFFFAOYSA-N 2 2 292.389 3.383 20 0 CGADLP CC(C)CC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275096760 808907571 /nfs/dbraw/zinc/90/75/71/808907571.db2.gz RIUHJIXMWZTGEI-UHFFFAOYSA-N 2 2 292.389 3.383 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630774 809022525 /nfs/dbraw/zinc/02/25/25/809022525.db2.gz MTHYUXKCEXGGNO-GOEBONIOSA-N 2 2 290.838 3.081 20 0 CGADLP C[N@H+]1CCC2(C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630774 809022531 /nfs/dbraw/zinc/02/25/31/809022531.db2.gz MTHYUXKCEXGGNO-GOEBONIOSA-N 2 2 290.838 3.081 20 0 CGADLP COc1cc[nH+]cc1Nc1cc(C)[nH+]c2ccccc12 ZINC001176119731 809627742 /nfs/dbraw/zinc/62/77/42/809627742.db2.gz XFOFUJKFESOJLO-UHFFFAOYSA-N 2 2 265.316 3.112 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCC(C)(C)CC2)C[C@H](C)O1 ZINC001177166405 809784481 /nfs/dbraw/zinc/78/44/81/809784481.db2.gz PDFCNGYMDYBKOW-IYBDPMFKSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+]CC2CCC(C)(C)CC2)C[C@H](C)O1 ZINC001177166405 809784487 /nfs/dbraw/zinc/78/44/87/809784487.db2.gz PDFCNGYMDYBKOW-IYBDPMFKSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179147518 809906305 /nfs/dbraw/zinc/90/63/05/809906305.db2.gz HVHARDNNRPWDDA-MWDXBVQZSA-N 2 2 264.457 3.275 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C(C)(C)C ZINC001179178463 809908232 /nfs/dbraw/zinc/90/82/32/809908232.db2.gz XRDNUUJHNHXROD-OAHLLOKOSA-N 2 2 290.451 3.177 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1C(C)(C)C ZINC001179178463 809908236 /nfs/dbraw/zinc/90/82/36/809908236.db2.gz XRDNUUJHNHXROD-OAHLLOKOSA-N 2 2 290.451 3.177 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001179169153 809908466 /nfs/dbraw/zinc/90/84/66/809908466.db2.gz RGFYHUMMMQUCRI-SFHVURJKSA-N 2 2 272.436 3.492 20 0 CGADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001179169153 809908470 /nfs/dbraw/zinc/90/84/70/809908470.db2.gz RGFYHUMMMQUCRI-SFHVURJKSA-N 2 2 272.436 3.492 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905941 809956722 /nfs/dbraw/zinc/95/67/22/809956722.db2.gz QJCMTBUILWWPIT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905941 809956727 /nfs/dbraw/zinc/95/67/27/809956727.db2.gz QJCMTBUILWWPIT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905941 809956732 /nfs/dbraw/zinc/95/67/32/809956732.db2.gz QJCMTBUILWWPIT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2F)[C@H](C)C1 ZINC001179905941 809956736 /nfs/dbraw/zinc/95/67/36/809956736.db2.gz QJCMTBUILWWPIT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001182634968 810118624 /nfs/dbraw/zinc/11/86/24/810118624.db2.gz UQOSOLAUJJSPGN-MOPGFXCFSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001182634968 810118628 /nfs/dbraw/zinc/11/86/28/810118628.db2.gz UQOSOLAUJJSPGN-MOPGFXCFSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001187045916 810380939 /nfs/dbraw/zinc/38/09/39/810380939.db2.gz YNASEHJXBLGEAV-AWEZNQCLSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001187045916 810380941 /nfs/dbraw/zinc/38/09/41/810380941.db2.gz YNASEHJXBLGEAV-AWEZNQCLSA-N 2 2 288.439 3.196 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281052 811045734 /nfs/dbraw/zinc/04/57/34/811045734.db2.gz YSDMLELTKSAVLC-IRXDYDNUSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC001194281052 811045740 /nfs/dbraw/zinc/04/57/40/811045740.db2.gz YSDMLELTKSAVLC-IRXDYDNUSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001199268380 811569134 /nfs/dbraw/zinc/56/91/34/811569134.db2.gz WSAMWJSOBQJXBD-FXUDXRNXSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001199268380 811569139 /nfs/dbraw/zinc/56/91/39/811569139.db2.gz WSAMWJSOBQJXBD-FXUDXRNXSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199295223 811571219 /nfs/dbraw/zinc/57/12/19/811571219.db2.gz GPXZDFIOGWQIMA-MTSZKFMLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[N@H+]1CCCC[C@H]1C ZINC001199295223 811571228 /nfs/dbraw/zinc/57/12/28/811571228.db2.gz GPXZDFIOGWQIMA-MTSZKFMLSA-N 2 2 264.457 3.418 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001199844380 811602656 /nfs/dbraw/zinc/60/26/56/811602656.db2.gz XZISBUANFHNYBW-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC001199844380 811602662 /nfs/dbraw/zinc/60/26/62/811602662.db2.gz XZISBUANFHNYBW-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC001200291534 811669994 /nfs/dbraw/zinc/66/99/94/811669994.db2.gz DHKCTIZZOCNNRA-HZPDHXFCSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC001200291534 811669997 /nfs/dbraw/zinc/66/99/97/811669997.db2.gz DHKCTIZZOCNNRA-HZPDHXFCSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001203388087 812337483 /nfs/dbraw/zinc/33/74/83/812337483.db2.gz GJANZJSIGOATDP-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001203388087 812337491 /nfs/dbraw/zinc/33/74/91/812337491.db2.gz GJANZJSIGOATDP-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001203388087 812337501 /nfs/dbraw/zinc/33/75/01/812337501.db2.gz GJANZJSIGOATDP-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001203388087 812337509 /nfs/dbraw/zinc/33/75/09/812337509.db2.gz GJANZJSIGOATDP-GASCZTMLSA-N 2 2 278.827 3.114 20 0 CGADLP C[NH+]1CCC2(C[NH+](Cc3c(F)cccc3Cl)C2)CC1 ZINC001203409587 812346904 /nfs/dbraw/zinc/34/69/04/812346904.db2.gz XHQIJKAZJRNHSC-UHFFFAOYSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001203747816 812451751 /nfs/dbraw/zinc/45/17/51/812451751.db2.gz JENVLMJYWNBHFZ-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001203747816 812451755 /nfs/dbraw/zinc/45/17/55/812451755.db2.gz JENVLMJYWNBHFZ-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001203789373 812461993 /nfs/dbraw/zinc/46/19/93/812461993.db2.gz WHCMSJBRFAYMDW-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203789373 812461996 /nfs/dbraw/zinc/46/19/96/812461996.db2.gz WHCMSJBRFAYMDW-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001204204671 812573177 /nfs/dbraw/zinc/57/31/77/812573177.db2.gz JGIBPSKMHXCIKT-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC001204204671 812573180 /nfs/dbraw/zinc/57/31/80/812573180.db2.gz JGIBPSKMHXCIKT-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP CCc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)o1 ZINC001204393654 812628140 /nfs/dbraw/zinc/62/81/40/812628140.db2.gz ADQZCRFFDKWEJZ-UHFFFAOYSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)o1 ZINC001204393654 812628145 /nfs/dbraw/zinc/62/81/45/812628145.db2.gz ADQZCRFFDKWEJZ-UHFFFAOYSA-N 2 2 264.413 3.147 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1 ZINC001204424447 812635936 /nfs/dbraw/zinc/63/59/36/812635936.db2.gz RSCFBTYUWOVPJQ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1 ZINC001204424447 812635939 /nfs/dbraw/zinc/63/59/39/812635939.db2.gz RSCFBTYUWOVPJQ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(C)C)cc1 ZINC001204457932 812646594 /nfs/dbraw/zinc/64/65/94/812646594.db2.gz OSQZXUDCRQDZJA-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(C)C)cc1 ZINC001204457932 812646600 /nfs/dbraw/zinc/64/66/00/812646600.db2.gz OSQZXUDCRQDZJA-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204527895 812668357 /nfs/dbraw/zinc/66/83/57/812668357.db2.gz JBPSSBBMCHJACL-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204527895 812668359 /nfs/dbraw/zinc/66/83/59/812668359.db2.gz JBPSSBBMCHJACL-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP COc1cc(C)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001204615315 812691541 /nfs/dbraw/zinc/69/15/41/812691541.db2.gz HPGOSTNUJNMHOK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001204615315 812691546 /nfs/dbraw/zinc/69/15/46/812691546.db2.gz HPGOSTNUJNMHOK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001204615315 812691552 /nfs/dbraw/zinc/69/15/52/812691552.db2.gz HPGOSTNUJNMHOK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(C)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001204615315 812691553 /nfs/dbraw/zinc/69/15/53/812691553.db2.gz HPGOSTNUJNMHOK-KRWDZBQOSA-N 2 2 290.451 3.310 20 0 CGADLP C[N@H+](CC[NH3+])Cc1cccc2c3ccccc3sc21 ZINC001204699239 812710610 /nfs/dbraw/zinc/71/06/10/812710610.db2.gz JLLMFZZGUGWKSH-UHFFFAOYSA-N 2 2 270.401 3.445 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1cccc2c3ccccc3sc21 ZINC001204699239 812710614 /nfs/dbraw/zinc/71/06/14/812710614.db2.gz JLLMFZZGUGWKSH-UHFFFAOYSA-N 2 2 270.401 3.445 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@H+](C)CC[NH3+])cc2)cc1 ZINC001204699321 812711261 /nfs/dbraw/zinc/71/12/61/812711261.db2.gz KVDICSBNAOXPHQ-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@@H+](C)CC[NH3+])cc2)cc1 ZINC001204699321 812711268 /nfs/dbraw/zinc/71/12/68/812711268.db2.gz KVDICSBNAOXPHQ-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204885146 812763261 /nfs/dbraw/zinc/76/32/61/812763261.db2.gz KWCDFLUHFWSAON-LBPRGKRZSA-N 2 2 260.406 3.133 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204885146 812763263 /nfs/dbraw/zinc/76/32/63/812763263.db2.gz KWCDFLUHFWSAON-LBPRGKRZSA-N 2 2 260.406 3.133 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904569 812770491 /nfs/dbraw/zinc/77/04/91/812770491.db2.gz SUMMWIIYPCVICA-OAHLLOKOSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904569 812770495 /nfs/dbraw/zinc/77/04/95/812770495.db2.gz SUMMWIIYPCVICA-OAHLLOKOSA-N 2 2 272.417 3.133 20 0 CGADLP C[C@@H](C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1)c1cccc2ccccc21 ZINC001204904214 812770959 /nfs/dbraw/zinc/77/09/59/812770959.db2.gz KJQXQXSJRGCSDN-KBXCAEBGSA-N 2 2 280.415 3.366 20 0 CGADLP C[C@@H](C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1)c1cccc2ccccc21 ZINC001204904214 812770964 /nfs/dbraw/zinc/77/09/64/812770964.db2.gz KJQXQXSJRGCSDN-KBXCAEBGSA-N 2 2 280.415 3.366 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204939744 812788211 /nfs/dbraw/zinc/78/82/11/812788211.db2.gz SUECADFOJGCTQI-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001204939744 812788212 /nfs/dbraw/zinc/78/82/12/812788212.db2.gz SUECADFOJGCTQI-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001204939831 812788235 /nfs/dbraw/zinc/78/82/35/812788235.db2.gz UTPQHWAOFIOZNI-HNNXBMFYSA-N 2 2 277.799 3.135 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001204939831 812788237 /nfs/dbraw/zinc/78/82/37/812788237.db2.gz UTPQHWAOFIOZNI-HNNXBMFYSA-N 2 2 277.799 3.135 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001205250781 812917452 /nfs/dbraw/zinc/91/74/52/812917452.db2.gz DINLXSNHACEHHZ-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001205250781 812917456 /nfs/dbraw/zinc/91/74/56/812917456.db2.gz DINLXSNHACEHHZ-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)n1 ZINC001205319066 812952318 /nfs/dbraw/zinc/95/23/18/812952318.db2.gz YDMROYAEVVHZDQ-TZMCWYRMSA-N 2 2 295.858 3.275 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)n1 ZINC001205319066 812952320 /nfs/dbraw/zinc/95/23/20/812952320.db2.gz YDMROYAEVVHZDQ-TZMCWYRMSA-N 2 2 295.858 3.275 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CCC1 ZINC001205434916 812982164 /nfs/dbraw/zinc/98/21/64/812982164.db2.gz UALQDHKFMKFLRV-HUUCEWRRSA-N 2 2 294.483 3.187 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806947 813088502 /nfs/dbraw/zinc/08/85/02/813088502.db2.gz WSTBSRBSSDQTPC-ZBFHGGJFSA-N 2 2 298.430 3.408 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806947 813088510 /nfs/dbraw/zinc/08/85/10/813088510.db2.gz WSTBSRBSSDQTPC-ZBFHGGJFSA-N 2 2 298.430 3.408 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205853691 813108619 /nfs/dbraw/zinc/10/86/19/813108619.db2.gz IWWARDFUIHBSCG-UKRRQHHQSA-N 2 2 278.465 3.358 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205853691 813108623 /nfs/dbraw/zinc/10/86/23/813108623.db2.gz IWWARDFUIHBSCG-UKRRQHHQSA-N 2 2 278.465 3.358 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856861 813109572 /nfs/dbraw/zinc/10/95/72/813109572.db2.gz YTDYRTJKODUNGJ-HOCLYGCPSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856861 813109577 /nfs/dbraw/zinc/10/95/77/813109577.db2.gz YTDYRTJKODUNGJ-HOCLYGCPSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3c(F)cccc23)C[C@@H]1[NH3+] ZINC001205888354 813120235 /nfs/dbraw/zinc/12/02/35/813120235.db2.gz AXEVJZURUCHOAY-PXAZEXFGSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C[C@@H]1[NH3+] ZINC001205888354 813120239 /nfs/dbraw/zinc/12/02/39/813120239.db2.gz AXEVJZURUCHOAY-PXAZEXFGSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001205903239 813124521 /nfs/dbraw/zinc/12/45/21/813124521.db2.gz NSNCSVPCVNJZEU-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001205903239 813124525 /nfs/dbraw/zinc/12/45/25/813124525.db2.gz NSNCSVPCVNJZEU-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001205902709 813124834 /nfs/dbraw/zinc/12/48/34/813124834.db2.gz LAJVQESFZPVIIE-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001205902709 813124839 /nfs/dbraw/zinc/12/48/39/813124839.db2.gz LAJVQESFZPVIIE-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916244 813132875 /nfs/dbraw/zinc/13/28/75/813132875.db2.gz UAYAOLSZIQKIGZ-KOLCDFICSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916244 813132882 /nfs/dbraw/zinc/13/28/82/813132882.db2.gz UAYAOLSZIQKIGZ-KOLCDFICSA-N 2 2 292.370 3.326 20 0 CGADLP Cc1nc(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001206192085 813233605 /nfs/dbraw/zinc/23/36/05/813233605.db2.gz GOWVUHFNBOOILB-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1nc(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001206192085 813233608 /nfs/dbraw/zinc/23/36/08/813233608.db2.gz GOWVUHFNBOOILB-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344904 813297454 /nfs/dbraw/zinc/29/74/54/813297454.db2.gz XUNPQBWNSDTZML-KRWDZBQOSA-N 2 2 294.414 3.128 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206344904 813297460 /nfs/dbraw/zinc/29/74/60/813297460.db2.gz XUNPQBWNSDTZML-KRWDZBQOSA-N 2 2 294.414 3.128 20 0 CGADLP C1SCC12CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC001206477363 813331543 /nfs/dbraw/zinc/33/15/43/813331543.db2.gz NNEMUEQEDAUIMA-HOTGVXAUSA-N 2 2 294.508 3.269 20 0 CGADLP C1SCC12CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC001206477363 813331550 /nfs/dbraw/zinc/33/15/50/813331550.db2.gz NNEMUEQEDAUIMA-HOTGVXAUSA-N 2 2 294.508 3.269 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001206541840 813344415 /nfs/dbraw/zinc/34/44/15/813344415.db2.gz LJNQFLJULJMIBL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001206541840 813344422 /nfs/dbraw/zinc/34/44/22/813344422.db2.gz LJNQFLJULJMIBL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CS1 ZINC001206661048 813391808 /nfs/dbraw/zinc/39/18/08/813391808.db2.gz NPCKUAUCCDRUSQ-HRCADAONSA-N 2 2 284.513 3.227 20 0 CGADLP CC[N@H+](CC1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC001207347253 813545232 /nfs/dbraw/zinc/54/52/32/813545232.db2.gz PWSIXUGCHUCVBK-UHFFFAOYSA-N 2 2 274.399 3.228 20 0 CGADLP CC[N@@H+](CC1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC001207347253 813545238 /nfs/dbraw/zinc/54/52/38/813545238.db2.gz PWSIXUGCHUCVBK-UHFFFAOYSA-N 2 2 274.399 3.228 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001207522240 813585738 /nfs/dbraw/zinc/58/57/38/813585738.db2.gz CBPJYPCCQMYWEN-MOPGFXCFSA-N 2 2 286.463 3.379 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001207522240 813585740 /nfs/dbraw/zinc/58/57/40/813585740.db2.gz CBPJYPCCQMYWEN-MOPGFXCFSA-N 2 2 286.463 3.379 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208169397 813722138 /nfs/dbraw/zinc/72/21/38/813722138.db2.gz OWXGKYFBNVZAIT-HOTGVXAUSA-N 2 2 261.413 3.197 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001208169397 813722143 /nfs/dbraw/zinc/72/21/43/813722143.db2.gz OWXGKYFBNVZAIT-HOTGVXAUSA-N 2 2 261.413 3.197 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCOc3ccccc3C2)CCCC1 ZINC001208188733 813736983 /nfs/dbraw/zinc/73/69/83/813736983.db2.gz ANZCBTDTWGKKCX-UHFFFAOYSA-N 2 2 288.435 3.003 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCOc3ccccc3C2)CCCC1 ZINC001208188733 813736990 /nfs/dbraw/zinc/73/69/90/813736990.db2.gz ANZCBTDTWGKKCX-UHFFFAOYSA-N 2 2 288.435 3.003 20 0 CGADLP COCC[N@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208661297 813783795 /nfs/dbraw/zinc/78/37/95/813783795.db2.gz ULYZMZFFBJKQCU-INIZCTEOSA-N 2 2 298.515 3.491 20 0 CGADLP COCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208661297 813783798 /nfs/dbraw/zinc/78/37/98/813783798.db2.gz ULYZMZFFBJKQCU-INIZCTEOSA-N 2 2 298.515 3.491 20 0 CGADLP Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c[nH+]c1N ZINC001242695210 823103068 /nfs/dbraw/zinc/10/30/68/823103068.db2.gz SWYWSBUIOSWPNU-OAHLLOKOSA-N 2 2 257.381 3.004 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[NH2+]1 ZINC001210496827 814489404 /nfs/dbraw/zinc/48/94/04/814489404.db2.gz JXLQHKLQSYYAMX-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[NH2+]1 ZINC001210496827 814489408 /nfs/dbraw/zinc/48/94/08/814489408.db2.gz JXLQHKLQSYYAMX-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cccc(C3CC3)[nH+]2)cc1 ZINC001211129399 814755108 /nfs/dbraw/zinc/75/51/08/814755108.db2.gz BVZYEQDIVLMHQO-UHFFFAOYSA-N 2 2 253.349 3.422 20 0 CGADLP CCOc1cc(Nc2cccc(C[NH2+]C)c2F)cc(C)[nH+]1 ZINC001216221428 815741343 /nfs/dbraw/zinc/74/13/43/815741343.db2.gz DDFAVFBUWKXXJG-UHFFFAOYSA-N 2 2 289.354 3.391 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001222242612 816384987 /nfs/dbraw/zinc/38/49/87/816384987.db2.gz FWDUFUDQWPKUQP-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2c1 ZINC001222242612 816384996 /nfs/dbraw/zinc/38/49/96/816384996.db2.gz FWDUFUDQWPKUQP-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222242546 816385392 /nfs/dbraw/zinc/38/53/92/816385392.db2.gz DYOICFVJUBVGBV-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1C ZINC001222242546 816385399 /nfs/dbraw/zinc/38/53/99/816385399.db2.gz DYOICFVJUBVGBV-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222282928 816394599 /nfs/dbraw/zinc/39/45/99/816394599.db2.gz QYVDZBIGDMVMCB-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222282928 816394604 /nfs/dbraw/zinc/39/46/04/816394604.db2.gz QYVDZBIGDMVMCB-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)cc1O ZINC001222389814 816428496 /nfs/dbraw/zinc/42/84/96/816428496.db2.gz GSAMOISALFNBNF-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)cc1O ZINC001222389814 816428501 /nfs/dbraw/zinc/42/85/01/816428501.db2.gz GSAMOISALFNBNF-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222471229 816452663 /nfs/dbraw/zinc/45/26/63/816452663.db2.gz NBVYGKFDOBLWDG-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222471229 816452671 /nfs/dbraw/zinc/45/26/71/816452671.db2.gz NBVYGKFDOBLWDG-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1[nH]c2ccc(O[C@H]3CCC[N@@H+](C(C)C)C3)cc2[nH+]1 ZINC001228330504 817880096 /nfs/dbraw/zinc/88/00/96/817880096.db2.gz YSHMYYOECFYMRX-AWEZNQCLSA-N 2 2 273.380 3.123 20 0 CGADLP Cc1[nH]c2ccc(O[C@H]3CCC[N@H+](C(C)C)C3)cc2[nH+]1 ZINC001228330504 817880099 /nfs/dbraw/zinc/88/00/99/817880099.db2.gz YSHMYYOECFYMRX-AWEZNQCLSA-N 2 2 273.380 3.123 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912869 818473792 /nfs/dbraw/zinc/47/37/92/818473792.db2.gz YFMSLCZPJLNQSL-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912869 818473797 /nfs/dbraw/zinc/47/37/97/818473797.db2.gz YFMSLCZPJLNQSL-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912869 818473800 /nfs/dbraw/zinc/47/38/00/818473800.db2.gz YFMSLCZPJLNQSL-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@H]21 ZINC001232912869 818473804 /nfs/dbraw/zinc/47/38/04/818473804.db2.gz YFMSLCZPJLNQSL-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001234034230 818762929 /nfs/dbraw/zinc/76/29/29/818762929.db2.gz ZVBQZFJRUJELHH-IYBDPMFKSA-N 2 2 297.402 3.113 20 0 CGADLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1-n1cc[nH+]c1 ZINC001234034230 818762937 /nfs/dbraw/zinc/76/29/37/818762937.db2.gz ZVBQZFJRUJELHH-IYBDPMFKSA-N 2 2 297.402 3.113 20 0 CGADLP COc1cc(C[NH+]2CC3(C2)CCCC3)ccc1-n1cc[nH+]c1 ZINC001234044679 818767027 /nfs/dbraw/zinc/76/70/27/818767027.db2.gz ZGWIMNAMGNLEAU-UHFFFAOYSA-N 2 2 297.402 3.257 20 0 CGADLP COc1cc(C[N@H+](C)C[C@H]2CC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234075631 818772251 /nfs/dbraw/zinc/77/22/51/818772251.db2.gz MNRADNLXFYNFES-OAHLLOKOSA-N 2 2 299.418 3.359 20 0 CGADLP COc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234075631 818772258 /nfs/dbraw/zinc/77/22/58/818772258.db2.gz MNRADNLXFYNFES-OAHLLOKOSA-N 2 2 299.418 3.359 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997901 818972416 /nfs/dbraw/zinc/97/24/16/818972416.db2.gz LRPNKGFANXOTJJ-QGZVFWFLSA-N 2 2 288.366 3.147 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997901 818972422 /nfs/dbraw/zinc/97/24/22/818972422.db2.gz LRPNKGFANXOTJJ-QGZVFWFLSA-N 2 2 288.366 3.147 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235006750 818975754 /nfs/dbraw/zinc/97/57/54/818975754.db2.gz ICQROILXHNXGGJ-UHFFFAOYSA-N 2 2 297.446 3.389 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003268 818975956 /nfs/dbraw/zinc/97/59/56/818975956.db2.gz LMTASGFYVLOZIP-HFZJXRFXSA-N 2 2 250.430 3.339 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003268 818975963 /nfs/dbraw/zinc/97/59/63/818975963.db2.gz LMTASGFYVLOZIP-HFZJXRFXSA-N 2 2 250.430 3.339 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004591 818976657 /nfs/dbraw/zinc/97/66/57/818976657.db2.gz SRBVTDJARNVBDE-MNEFBYGVSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004591 818976663 /nfs/dbraw/zinc/97/66/63/818976663.db2.gz SRBVTDJARNVBDE-MNEFBYGVSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064320 818993686 /nfs/dbraw/zinc/99/36/86/818993686.db2.gz IKVDMPYAIMICRR-IBGZPJMESA-N 2 2 297.446 3.403 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064320 818993692 /nfs/dbraw/zinc/99/36/92/818993692.db2.gz IKVDMPYAIMICRR-IBGZPJMESA-N 2 2 297.446 3.403 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(C)c1Cl ZINC001235111063 819005224 /nfs/dbraw/zinc/00/52/24/819005224.db2.gz OAEXGEHGDRTEME-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235111261 819006987 /nfs/dbraw/zinc/00/69/87/819006987.db2.gz QRYYNBKZSWJOOM-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235111261 819006991 /nfs/dbraw/zinc/00/69/91/819006991.db2.gz QRYYNBKZSWJOOM-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235164742 819019853 /nfs/dbraw/zinc/01/98/53/819019853.db2.gz CZWQQNSPMXIHPO-SWLSCSKDSA-N 2 2 299.245 3.349 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001235164742 819019858 /nfs/dbraw/zinc/01/98/58/819019858.db2.gz CZWQQNSPMXIHPO-SWLSCSKDSA-N 2 2 299.245 3.349 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)o1 ZINC001235219512 819038396 /nfs/dbraw/zinc/03/83/96/819038396.db2.gz RNGSAYACIBDASS-MSOLQXFVSA-N 2 2 296.414 3.439 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)o1 ZINC001235219512 819038401 /nfs/dbraw/zinc/03/84/01/819038401.db2.gz RNGSAYACIBDASS-MSOLQXFVSA-N 2 2 296.414 3.439 20 0 CGADLP Fc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235254364 819051790 /nfs/dbraw/zinc/05/17/90/819051790.db2.gz BKUZKEWDEHCSRR-MJGOQNOKSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235254364 819051800 /nfs/dbraw/zinc/05/18/00/819051800.db2.gz BKUZKEWDEHCSRR-MJGOQNOKSA-N 2 2 296.389 3.286 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@H]2C1 ZINC001235537728 819119083 /nfs/dbraw/zinc/11/90/83/819119083.db2.gz LCIVOMFIEJCLLD-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001235536049 819119315 /nfs/dbraw/zinc/11/93/15/819119315.db2.gz XNOBCULMNIKURQ-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001235536049 819119320 /nfs/dbraw/zinc/11/93/20/819119320.db2.gz XNOBCULMNIKURQ-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2sccc21 ZINC001235909153 819217220 /nfs/dbraw/zinc/21/72/20/819217220.db2.gz ZURWJMBAGUVJFJ-DGCLKSJQSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001235909153 819217225 /nfs/dbraw/zinc/21/72/25/819217225.db2.gz ZURWJMBAGUVJFJ-DGCLKSJQSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2ccsc2c1 ZINC001235907685 819217328 /nfs/dbraw/zinc/21/73/28/819217328.db2.gz SGDXUFJDJPUWRA-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001235907685 819217333 /nfs/dbraw/zinc/21/73/33/819217333.db2.gz SGDXUFJDJPUWRA-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C(F)(F)F)c1 ZINC001235947202 819235491 /nfs/dbraw/zinc/23/54/91/819235491.db2.gz GFCVSWGIWZGGPN-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C(F)(F)F)c1 ZINC001235947202 819235498 /nfs/dbraw/zinc/23/54/98/819235498.db2.gz GFCVSWGIWZGGPN-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP c1ccc(CC[N@@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]2)cc1 ZINC001235948638 819236947 /nfs/dbraw/zinc/23/69/47/819236947.db2.gz RLPQVRQZNOQBSE-FQEVSTJZSA-N 2 2 294.442 3.483 20 0 CGADLP c1ccc(CC[N@H+](Cc2ccccc2)C[C@@H]2CCC[NH2+]2)cc1 ZINC001235948638 819236953 /nfs/dbraw/zinc/23/69/53/819236953.db2.gz RLPQVRQZNOQBSE-FQEVSTJZSA-N 2 2 294.442 3.483 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CC[NH2+]C1 ZINC001235971334 819254577 /nfs/dbraw/zinc/25/45/77/819254577.db2.gz UYRXNSXJHLOWPP-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CC[NH2+]C1 ZINC001235971334 819254583 /nfs/dbraw/zinc/25/45/83/819254583.db2.gz UYRXNSXJHLOWPP-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994328 819263394 /nfs/dbraw/zinc/26/33/94/819263394.db2.gz OBHPARPTQOPBHS-WMZOPIPTSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994328 819263400 /nfs/dbraw/zinc/26/34/00/819263400.db2.gz OBHPARPTQOPBHS-WMZOPIPTSA-N 2 2 288.435 3.014 20 0 CGADLP CC[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007961 819272190 /nfs/dbraw/zinc/27/21/90/819272190.db2.gz ONXKDAMRADMBHO-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007961 819272192 /nfs/dbraw/zinc/27/21/92/819272192.db2.gz ONXKDAMRADMBHO-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1c(C)ccc2ccccc21 ZINC001236143123 819343961 /nfs/dbraw/zinc/34/39/61/819343961.db2.gz JBBWDMQPTUEVGG-UHFFFAOYSA-N 2 2 256.393 3.190 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1c(C)ccc2ccccc21 ZINC001236143123 819343966 /nfs/dbraw/zinc/34/39/66/819343966.db2.gz JBBWDMQPTUEVGG-UHFFFAOYSA-N 2 2 256.393 3.190 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201063 819365968 /nfs/dbraw/zinc/36/59/68/819365968.db2.gz JVDHOAZELOKVPL-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201063 819365975 /nfs/dbraw/zinc/36/59/75/819365975.db2.gz JVDHOAZELOKVPL-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@H+](Cc1cc(O)cc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236208282 819370587 /nfs/dbraw/zinc/37/05/87/819370587.db2.gz UUQKYTDWKBZVCE-GOSISDBHSA-N 2 2 284.403 3.119 20 0 CGADLP C[N@@H+](Cc1cc(O)cc2ccccc21)[C@]1(C)CCC[NH2+]C1 ZINC001236208282 819370593 /nfs/dbraw/zinc/37/05/93/819370593.db2.gz UUQKYTDWKBZVCE-GOSISDBHSA-N 2 2 284.403 3.119 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1OC(C)C ZINC001236218852 819386448 /nfs/dbraw/zinc/38/64/48/819386448.db2.gz UIFPADOQXFLPCU-IAGOWNOFSA-N 2 2 290.451 3.484 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1OC(C)C ZINC001236218852 819386455 /nfs/dbraw/zinc/38/64/55/819386455.db2.gz UIFPADOQXFLPCU-IAGOWNOFSA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1CCC[NH2+]CCC1 ZINC001236240186 819400063 /nfs/dbraw/zinc/40/00/63/819400063.db2.gz MCOZTYMTTYKEOM-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1C(C)C ZINC001236416921 819462667 /nfs/dbraw/zinc/46/26/67/819462667.db2.gz AJCBSLINCASWGC-YOEHRIQHSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1C(C)C ZINC001236416921 819462672 /nfs/dbraw/zinc/46/26/72/819462672.db2.gz AJCBSLINCASWGC-YOEHRIQHSA-N 2 2 290.451 3.439 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2c1 ZINC001236417667 819463309 /nfs/dbraw/zinc/46/33/09/819463309.db2.gz FHSBNRFCCNSPKA-ABAIWWIYSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)cc2c1 ZINC001236417667 819463312 /nfs/dbraw/zinc/46/33/12/819463312.db2.gz FHSBNRFCCNSPKA-ABAIWWIYSA-N 2 2 290.432 3.222 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419185 819465634 /nfs/dbraw/zinc/46/56/34/819465634.db2.gz HIYNZZRZHWGLAA-PXAZEXFGSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419185 819465637 /nfs/dbraw/zinc/46/56/37/819465637.db2.gz HIYNZZRZHWGLAA-PXAZEXFGSA-N 2 2 272.367 3.291 20 0 CGADLP C[NH+](C)Cc1cccc(-c2cc[nH+]c(N3CCCC3)c2)c1 ZINC001236419598 819465675 /nfs/dbraw/zinc/46/56/75/819465675.db2.gz DFEKIGXSAYEFIW-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001236419515 819466097 /nfs/dbraw/zinc/46/60/97/819466097.db2.gz AFYZNNKCETYBJZ-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001236422358 819468883 /nfs/dbraw/zinc/46/88/83/819468883.db2.gz RGAOEPRYUCNGQB-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001236422358 819468890 /nfs/dbraw/zinc/46/88/90/819468890.db2.gz RGAOEPRYUCNGQB-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421888 819469255 /nfs/dbraw/zinc/46/92/55/819469255.db2.gz WVAIPYDAXKOBGP-MLGOLLRUSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421888 819469259 /nfs/dbraw/zinc/46/92/59/819469259.db2.gz WVAIPYDAXKOBGP-MLGOLLRUSA-N 2 2 287.382 3.132 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]CC(C)C)cc2)[nH+]c1N ZINC001236427507 819473768 /nfs/dbraw/zinc/47/37/68/819473768.db2.gz CDSXSSHDRXOVMZ-UHFFFAOYSA-N 2 2 269.392 3.385 20 0 CGADLP CCC[C@H](C)C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236437872 819479854 /nfs/dbraw/zinc/47/98/54/819479854.db2.gz RSUBRLGHFUXLBC-DOTOQJQBSA-N 2 2 275.440 3.072 20 0 CGADLP CCC[C@H](C)C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236437872 819479857 /nfs/dbraw/zinc/47/98/57/819479857.db2.gz RSUBRLGHFUXLBC-DOTOQJQBSA-N 2 2 275.440 3.072 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1cccc2ccoc21 ZINC001236524146 819516394 /nfs/dbraw/zinc/51/63/94/819516394.db2.gz QKQILLISZWBALV-UHFFFAOYSA-N 2 2 280.371 3.394 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1cccc2ccoc21 ZINC001236524146 819516399 /nfs/dbraw/zinc/51/63/99/819516399.db2.gz QKQILLISZWBALV-UHFFFAOYSA-N 2 2 280.371 3.394 20 0 CGADLP Oc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599515 819548976 /nfs/dbraw/zinc/54/89/76/819548976.db2.gz RUEYKOIDIIXDBT-LBPRGKRZSA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(Cl)c1 ZINC001236599515 819548980 /nfs/dbraw/zinc/54/89/80/819548980.db2.gz RUEYKOIDIIXDBT-LBPRGKRZSA-N 2 2 294.826 3.010 20 0 CGADLP Cc1cc(C)c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cn1 ZINC001236653103 819562661 /nfs/dbraw/zinc/56/26/61/819562661.db2.gz IWTWNTHYBCERIF-SFHVURJKSA-N 2 2 287.451 3.195 20 0 CGADLP Cc1cc(C)c(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cn1 ZINC001236653103 819562668 /nfs/dbraw/zinc/56/26/68/819562668.db2.gz IWTWNTHYBCERIF-SFHVURJKSA-N 2 2 287.451 3.195 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236883808 819629935 /nfs/dbraw/zinc/62/99/35/819629935.db2.gz LYYQQOKQKDUZFZ-KRWDZBQOSA-N 2 2 284.403 3.228 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236883808 819629937 /nfs/dbraw/zinc/62/99/37/819629937.db2.gz LYYQQOKQKDUZFZ-KRWDZBQOSA-N 2 2 284.403 3.228 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(Br)cc1C ZINC001236885116 819630048 /nfs/dbraw/zinc/63/00/48/819630048.db2.gz VTDJBAHWBQZOPY-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(Br)cc1C ZINC001236885116 819630051 /nfs/dbraw/zinc/63/00/51/819630051.db2.gz VTDJBAHWBQZOPY-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001236895196 819633839 /nfs/dbraw/zinc/63/38/39/819633839.db2.gz NKTPJDOPVOGKDI-ZDUSSCGKSA-N 2 2 281.403 3.111 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001236895196 819633844 /nfs/dbraw/zinc/63/38/44/819633844.db2.gz NKTPJDOPVOGKDI-ZDUSSCGKSA-N 2 2 281.403 3.111 20 0 CGADLP Clc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237143902 819676879 /nfs/dbraw/zinc/67/68/79/819676879.db2.gz HOVCIEGPMFRHQI-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237143902 819676882 /nfs/dbraw/zinc/67/68/82/819676882.db2.gz HOVCIEGPMFRHQI-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(F)c1C)C1CC[NH+](C)CC1 ZINC001237160998 819684304 /nfs/dbraw/zinc/68/43/04/819684304.db2.gz MXVBEJRYZKQHCD-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(F)c1C)C1CC[NH+](C)CC1 ZINC001237160998 819684308 /nfs/dbraw/zinc/68/43/08/819684308.db2.gz MXVBEJRYZKQHCD-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001237203485 819698180 /nfs/dbraw/zinc/69/81/80/819698180.db2.gz HINFCVNWLYUXLB-OLZOCXBDSA-N 2 2 285.435 3.387 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001237203485 819698182 /nfs/dbraw/zinc/69/81/82/819698182.db2.gz HINFCVNWLYUXLB-OLZOCXBDSA-N 2 2 285.435 3.387 20 0 CGADLP c1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237360390 819735223 /nfs/dbraw/zinc/73/52/23/819735223.db2.gz XWLDUDUQNQAFJX-UHFFFAOYSA-N 2 2 278.399 3.281 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC)cc1F ZINC001237630348 819792359 /nfs/dbraw/zinc/79/23/59/819792359.db2.gz VFOMZZATOIVKQR-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC)cc1F ZINC001237630348 819792363 /nfs/dbraw/zinc/79/23/63/819792363.db2.gz VFOMZZATOIVKQR-UHFFFAOYSA-N 2 2 296.430 3.388 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(C)c1Cl ZINC001238094207 819931175 /nfs/dbraw/zinc/93/11/75/819931175.db2.gz XNUQYECJIZVVGY-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(C)c1Cl ZINC001238094207 819931179 /nfs/dbraw/zinc/93/11/79/819931179.db2.gz XNUQYECJIZVVGY-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001238678062 820081334 /nfs/dbraw/zinc/08/13/34/820081334.db2.gz UBURSNXRCGYZPS-BETUJISGSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001238678062 820081345 /nfs/dbraw/zinc/08/13/45/820081345.db2.gz UBURSNXRCGYZPS-BETUJISGSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001238678062 820081358 /nfs/dbraw/zinc/08/13/58/820081358.db2.gz UBURSNXRCGYZPS-BETUJISGSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001238678062 820081369 /nfs/dbraw/zinc/08/13/69/820081369.db2.gz UBURSNXRCGYZPS-BETUJISGSA-N 2 2 296.867 3.055 20 0 CGADLP COc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1C ZINC001238996878 820188735 /nfs/dbraw/zinc/18/87/35/820188735.db2.gz XWGNQGVXKQQROY-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1C ZINC001238996878 820188737 /nfs/dbraw/zinc/18/87/37/820188737.db2.gz XWGNQGVXKQQROY-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 ZINC001239696282 820528193 /nfs/dbraw/zinc/52/81/93/820528193.db2.gz NDOVWFDAGQOZCT-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 ZINC001239696282 820528200 /nfs/dbraw/zinc/52/82/00/820528200.db2.gz NDOVWFDAGQOZCT-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1 ZINC001239827516 820643573 /nfs/dbraw/zinc/64/35/73/820643573.db2.gz OUZDBBLHNCAFSN-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1 ZINC001239827516 820643578 /nfs/dbraw/zinc/64/35/78/820643578.db2.gz OUZDBBLHNCAFSN-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COCc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239953966 820735463 /nfs/dbraw/zinc/73/54/63/820735463.db2.gz KOIRYBBRENNGDW-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239953966 820735469 /nfs/dbraw/zinc/73/54/69/820735469.db2.gz KOIRYBBRENNGDW-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240457390 821070662 /nfs/dbraw/zinc/07/06/62/821070662.db2.gz SYTRZOYZZJFPIY-UHFFFAOYSA-N 2 2 289.382 3.400 20 0 CGADLP c1cn2ccc(-c3ccc(OC4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001240510559 821105380 /nfs/dbraw/zinc/10/53/80/821105380.db2.gz NWWRNJWYJVUYMK-UHFFFAOYSA-N 2 2 293.370 3.132 20 0 CGADLP CSc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001241636338 822014327 /nfs/dbraw/zinc/01/43/27/822014327.db2.gz DXIMTQBRPSSYJI-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cn1 ZINC001241636338 822014332 /nfs/dbraw/zinc/01/43/32/822014332.db2.gz DXIMTQBRPSSYJI-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP C=Cc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241957305 822245702 /nfs/dbraw/zinc/24/57/02/822245702.db2.gz VTDNLEQRUSEWFS-UHFFFAOYSA-N 2 2 275.355 3.331 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc4cc[nH]c43)c2)C1 ZINC001242361384 822966402 /nfs/dbraw/zinc/96/64/02/822966402.db2.gz KIQJEZICHKIPRX-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc4cc[nH]c43)c2)C1 ZINC001242361384 822966405 /nfs/dbraw/zinc/96/64/05/822966405.db2.gz KIQJEZICHKIPRX-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP c1cc(-c2ccccc2)sc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001350453775 936991774 /nfs/dbraw/zinc/99/17/74/936991774.db2.gz CLLDUIAUPYDCRS-UHFFFAOYSA-N 2 2 284.428 3.257 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001351559745 937019287 /nfs/dbraw/zinc/01/92/87/937019287.db2.gz VJJCBQXQNAXSFA-INIZCTEOSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CC1CCCCC1 ZINC001461518550 928756269 /nfs/dbraw/zinc/75/62/69/928756269.db2.gz BBBWZQMQQKWIOM-WMZOPIPTSA-N 2 2 296.499 3.029 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)CC1CCCCC1 ZINC001461518550 928756272 /nfs/dbraw/zinc/75/62/72/928756272.db2.gz BBBWZQMQQKWIOM-WMZOPIPTSA-N 2 2 296.499 3.029 20 0 CGADLP CCc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001461636158 937589725 /nfs/dbraw/zinc/58/97/25/937589725.db2.gz YLEXBFPIJHYCBC-MRXNPFEDSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001461636158 937589728 /nfs/dbraw/zinc/58/97/28/937589728.db2.gz YLEXBFPIJHYCBC-MRXNPFEDSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1cc(NCC[NH+]2Cc3ccccc3C2)nc(CC)[nH+]1 ZINC001306948947 932900608 /nfs/dbraw/zinc/90/06/08/932900608.db2.gz SXTMXDIVRGTPBZ-UHFFFAOYSA-N 2 2 296.418 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC001462457009 937642840 /nfs/dbraw/zinc/64/28/40/937642840.db2.gz DGDYEYJJUSMCQA-GOEBONIOSA-N 2 2 286.419 3.438 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC001462457009 937642844 /nfs/dbraw/zinc/64/28/44/937642844.db2.gz DGDYEYJJUSMCQA-GOEBONIOSA-N 2 2 286.419 3.438 20 0 CGADLP Clc1cc2cccnc2c(C[NH2+]CC[NH+]2CCCC2)c1 ZINC001308183916 933068035 /nfs/dbraw/zinc/06/80/35/933068035.db2.gz RPALNPOFXOWTLH-UHFFFAOYSA-N 2 2 289.810 3.074 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001308856911 933191597 /nfs/dbraw/zinc/19/15/97/933191597.db2.gz DDHCJSJNWLWLBN-AWEZNQCLSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001308856911 933191600 /nfs/dbraw/zinc/19/16/00/933191600.db2.gz DDHCJSJNWLWLBN-AWEZNQCLSA-N 2 2 298.833 3.484 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001308864820 933192921 /nfs/dbraw/zinc/19/29/21/933192921.db2.gz LYERYUDNRGAHHU-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001308974438 933217416 /nfs/dbraw/zinc/21/74/16/933217416.db2.gz IENKPYQNSHGGCR-INIZCTEOSA-N 2 2 292.854 3.129 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001308974438 933217419 /nfs/dbraw/zinc/21/74/19/933217419.db2.gz IENKPYQNSHGGCR-INIZCTEOSA-N 2 2 292.854 3.129 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001320574090 934067917 /nfs/dbraw/zinc/06/79/17/934067917.db2.gz ISMAECRSFYBKMW-CQSZACIVSA-N 2 2 275.440 3.205 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001321410378 934183507 /nfs/dbraw/zinc/18/35/07/934183507.db2.gz JYGAHVLRHZFNOZ-UHFFFAOYSA-N 2 2 273.424 3.332 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001321410378 934183513 /nfs/dbraw/zinc/18/35/13/934183513.db2.gz JYGAHVLRHZFNOZ-UHFFFAOYSA-N 2 2 273.424 3.332 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001323967923 934444787 /nfs/dbraw/zinc/44/47/87/934444787.db2.gz NFRURPHRGROLKP-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001323967923 934444791 /nfs/dbraw/zinc/44/47/91/934444791.db2.gz NFRURPHRGROLKP-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001327581288 935071556 /nfs/dbraw/zinc/07/15/56/935071556.db2.gz FCNYYRGYIDRTPI-XMQYKBBCSA-N 2 2 289.329 3.006 20 0 CGADLP COCC[C@@H](C)[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896482 937828566 /nfs/dbraw/zinc/82/85/66/937828566.db2.gz DHJGTYKYGWSVDS-CABCVRRESA-N 2 2 293.455 3.243 20 0 CGADLP COCC[C@@H](C)[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896482 937828568 /nfs/dbraw/zinc/82/85/68/937828568.db2.gz DHJGTYKYGWSVDS-CABCVRRESA-N 2 2 293.455 3.243 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2s1 ZINC001473927780 937830898 /nfs/dbraw/zinc/83/08/98/937830898.db2.gz CSEVBHXBTCNEPP-LBPRGKRZSA-N 2 2 271.389 3.276 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC001473935761 937831270 /nfs/dbraw/zinc/83/12/70/937831270.db2.gz OHTLZGYXKJZLHD-HUUCEWRRSA-N 2 2 294.439 3.136 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641740 937872391 /nfs/dbraw/zinc/87/23/91/937872391.db2.gz HGSLLSRYCIOSQM-QZTJIDSGSA-N 2 2 274.452 3.390 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641740 937872392 /nfs/dbraw/zinc/87/23/92/937872392.db2.gz HGSLLSRYCIOSQM-QZTJIDSGSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c(C)[nH+]1 ZINC001550539433 938167727 /nfs/dbraw/zinc/16/77/27/938167727.db2.gz UVVVYSMMSRMRJX-JKSUJKDBSA-N 2 2 269.392 3.452 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC001551378898 938180668 /nfs/dbraw/zinc/18/06/68/938180668.db2.gz VAJOJBNBMCYIEK-OKZBNKHCSA-N 2 2 282.362 3.027 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551400498 938181632 /nfs/dbraw/zinc/18/16/32/938181632.db2.gz AZBHENRVWFMMIT-OALUTQOASA-N 2 2 296.414 3.188 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)C1(C)C ZINC001559844951 938237028 /nfs/dbraw/zinc/23/70/28/938237028.db2.gz BRGLMDAIIJLFAB-YQQAZPJKSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)C1(C)C ZINC001559844951 938237029 /nfs/dbraw/zinc/23/70/29/938237029.db2.gz BRGLMDAIIJLFAB-YQQAZPJKSA-N 2 2 282.472 3.043 20 0 CGADLP c1cc2ccc(C[NH2+]CCCNc3cccc[nH+]3)cc2[nH]1 ZINC001560365149 938255473 /nfs/dbraw/zinc/25/54/73/938255473.db2.gz NLWXSYVOYXTNGA-UHFFFAOYSA-N 2 2 280.375 3.155 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001560807986 938277065 /nfs/dbraw/zinc/27/70/65/938277065.db2.gz QRKPLDOFIGPYDP-VYDXJSESSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001560807986 938277066 /nfs/dbraw/zinc/27/70/66/938277066.db2.gz QRKPLDOFIGPYDP-VYDXJSESSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001560929972 938284652 /nfs/dbraw/zinc/28/46/52/938284652.db2.gz NMRIYMACUNNFMF-HZPDHXFCSA-N 2 2 254.462 3.379 20 0 CGADLP CCC(CC)(C[NH3+])[NH2+]Cc1csc(C(F)(F)F)c1 ZINC001577058760 962510677 /nfs/dbraw/zinc/51/06/77/962510677.db2.gz GNXSIMBYJIZUQU-UHFFFAOYSA-N 2 2 280.359 3.374 20 0 CGADLP CC[C@@H](OCC[N@@H+]1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC001577184371 962519751 /nfs/dbraw/zinc/51/97/51/962519751.db2.gz INIWYZGTEAHWSN-ZWKOTPCHSA-N 2 2 290.451 3.358 20 0 CGADLP CC[C@@H](OCC[N@H+]1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC001577184371 962519771 /nfs/dbraw/zinc/51/97/71/962519771.db2.gz INIWYZGTEAHWSN-ZWKOTPCHSA-N 2 2 290.451 3.358 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001577397128 962538332 /nfs/dbraw/zinc/53/83/32/962538332.db2.gz NUQWUAIKOPFWSF-GFCCVEGCSA-N 2 2 281.787 3.088 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+]C(CC)(CC)C[NH3+] ZINC001578179342 962579404 /nfs/dbraw/zinc/57/94/04/962579404.db2.gz DACMXHBIJLTKAC-UHFFFAOYSA-N 2 2 284.831 3.346 20 0 CGADLP [NH3+]Cc1cccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001580342813 962713287 /nfs/dbraw/zinc/71/32/87/962713287.db2.gz JMSKEFJRQCMENI-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP [NH3+]Cc1cccc(C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC001580342813 962713298 /nfs/dbraw/zinc/71/32/98/962713298.db2.gz JMSKEFJRQCMENI-UHFFFAOYSA-N 2 2 272.779 3.315 20 0 CGADLP CC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000294951797 199267446 /nfs/dbraw/zinc/26/74/46/199267446.db2.gz MDCZYZQWFAPRRL-KSSFIOAISA-N 2 2 297.402 3.169 20 0 CGADLP CC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000294951797 199267448 /nfs/dbraw/zinc/26/74/48/199267448.db2.gz MDCZYZQWFAPRRL-KSSFIOAISA-N 2 2 297.402 3.169 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261531 349484468 /nfs/dbraw/zinc/48/44/68/349484468.db2.gz TYZSGHOECQLINT-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261531 349484469 /nfs/dbraw/zinc/48/44/69/349484469.db2.gz TYZSGHOECQLINT-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261531 349484471 /nfs/dbraw/zinc/48/44/71/349484471.db2.gz TYZSGHOECQLINT-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Cl)c2)C[C@@H]1C ZINC000621261531 349484473 /nfs/dbraw/zinc/48/44/73/349484473.db2.gz TYZSGHOECQLINT-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000621377269 349512076 /nfs/dbraw/zinc/51/20/76/349512076.db2.gz UJNWDDQJHIVALS-JTQLQIEISA-N 2 2 283.347 3.069 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401706 349520514 /nfs/dbraw/zinc/52/05/14/349520514.db2.gz HOQNIPCGVUBECS-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401706 349520515 /nfs/dbraw/zinc/52/05/15/349520515.db2.gz HOQNIPCGVUBECS-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c[nH+]1 ZINC000337559103 214155303 /nfs/dbraw/zinc/15/53/03/214155303.db2.gz ZDHGZIZULZLQQH-CABCVRRESA-N 2 2 298.377 3.463 20 0 CGADLP CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337634699 214190966 /nfs/dbraw/zinc/19/09/66/214190966.db2.gz ROJCMEAPWUUBER-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000337634699 214190970 /nfs/dbraw/zinc/19/09/70/214190970.db2.gz ROJCMEAPWUUBER-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000621734530 349574116 /nfs/dbraw/zinc/57/41/16/349574116.db2.gz OYMDAZLYURDLDB-JKSUJKDBSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000621734530 349574121 /nfs/dbraw/zinc/57/41/21/349574121.db2.gz OYMDAZLYURDLDB-JKSUJKDBSA-N 2 2 294.389 3.286 20 0 CGADLP Cc1cccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000273105967 192044172 /nfs/dbraw/zinc/04/41/72/192044172.db2.gz PKMNVXZLRWDUQQ-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1cccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000273105967 192044174 /nfs/dbraw/zinc/04/41/74/192044174.db2.gz PKMNVXZLRWDUQQ-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1cccn2c(C[NH2+]C3CC4(CCC4)C3)c[nH+]c12 ZINC000652041897 398319927 /nfs/dbraw/zinc/31/99/27/398319927.db2.gz WFLMNHQIOFEOFO-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423459106 529453235 /nfs/dbraw/zinc/45/32/35/529453235.db2.gz HPTLPDVVGONGHC-ONGXEEELSA-N 2 2 269.458 3.137 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082443 346899583 /nfs/dbraw/zinc/89/95/83/346899583.db2.gz GMRXKNZBHVQFBZ-CZUORRHYSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082443 346899585 /nfs/dbraw/zinc/89/95/85/346899585.db2.gz GMRXKNZBHVQFBZ-CZUORRHYSA-N 2 2 273.355 3.420 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423499915 529611393 /nfs/dbraw/zinc/61/13/93/529611393.db2.gz JXMHQHQURTYIEM-LRDDRELGSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000449288592 529620461 /nfs/dbraw/zinc/62/04/61/529620461.db2.gz ZMEQTWMQPJFRDH-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000449288592 529620463 /nfs/dbraw/zinc/62/04/63/529620463.db2.gz ZMEQTWMQPJFRDH-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422811389 529625354 /nfs/dbraw/zinc/62/53/54/529625354.db2.gz UQDCBNZNYGJRDP-OALUTQOASA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414077880 529630603 /nfs/dbraw/zinc/63/06/03/529630603.db2.gz ZQDWQBWOVPOXHD-JLSDUUJJSA-N 2 2 283.419 3.456 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1Br ZINC000423282406 529619022 /nfs/dbraw/zinc/61/90/22/529619022.db2.gz VZCYUCBYPDBCRJ-KBPBESRZSA-N 2 2 299.256 3.473 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354823376 282208213 /nfs/dbraw/zinc/20/82/13/282208213.db2.gz AOGVEPBTEMQAHL-QWHCGFSZSA-N 2 2 287.382 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354823376 282208218 /nfs/dbraw/zinc/20/82/18/282208218.db2.gz AOGVEPBTEMQAHL-QWHCGFSZSA-N 2 2 287.382 3.338 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc(Cl)c1F ZINC000423441035 529666395 /nfs/dbraw/zinc/66/63/95/529666395.db2.gz IYXFFFHGWUXECW-SBMIAAHKSA-N 2 2 258.768 3.256 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1F ZINC000423546534 529669962 /nfs/dbraw/zinc/66/99/62/529669962.db2.gz FLGSRMYRIVIIEX-WFASDCNBSA-N 2 2 268.351 3.148 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000358515672 529681291 /nfs/dbraw/zinc/68/12/91/529681291.db2.gz NCTFZDTVLWWVRD-AWEZNQCLSA-N 2 2 294.402 3.451 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000290373786 197688629 /nfs/dbraw/zinc/68/86/29/197688629.db2.gz NODJSBKSPZNBLW-HNNXBMFYSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000623398853 349798534 /nfs/dbraw/zinc/79/85/34/349798534.db2.gz QOVYIEOOWIBNFL-KBMXLJTQSA-N 2 2 273.424 3.298 20 0 CGADLP CSC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000591581345 346929826 /nfs/dbraw/zinc/92/98/26/346929826.db2.gz QFOKPEOOIYIODT-CABZTGNLSA-N 2 2 292.370 3.046 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000510703729 282249840 /nfs/dbraw/zinc/24/98/40/282249840.db2.gz PGCDXBQTBRMMOL-FGTMMUONSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1ccc(C2CCN(c3cc[nH+]cc3C)CC2)c[nH+]1 ZINC000335725578 136377179 /nfs/dbraw/zinc/37/71/79/136377179.db2.gz FVRGUAOHEXKOHK-UHFFFAOYSA-N 2 2 267.376 3.477 20 0 CGADLP CCCOc1cccc2c(N3CC[NH+](CC)CC3)cc[nH+]c12 ZINC000350241460 136378525 /nfs/dbraw/zinc/37/85/25/136378525.db2.gz DBKACQCESNZFMZ-UHFFFAOYSA-N 2 2 299.418 3.166 20 0 CGADLP CO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)CC1(C)C ZINC000294998646 199292227 /nfs/dbraw/zinc/29/22/27/199292227.db2.gz LCTCOKIHKOYXHP-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP CO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)CC1(C)C ZINC000294998646 199292228 /nfs/dbraw/zinc/29/22/28/199292228.db2.gz LCTCOKIHKOYXHP-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868846 346944159 /nfs/dbraw/zinc/94/41/59/346944159.db2.gz GPKZRONDSQPPOD-KBPBESRZSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868846 346944161 /nfs/dbraw/zinc/94/41/61/346944161.db2.gz GPKZRONDSQPPOD-KBPBESRZSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561730 349835074 /nfs/dbraw/zinc/83/50/74/349835074.db2.gz XIWVWYBILZQOIT-JVNPIMRCSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561730 349835077 /nfs/dbraw/zinc/83/50/77/349835077.db2.gz XIWVWYBILZQOIT-JVNPIMRCSA-N 2 2 262.441 3.028 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H]2CC23CCCCC3)[nH+]1 ZINC000623568139 349836751 /nfs/dbraw/zinc/83/67/51/349836751.db2.gz QOXKAXXBJMYYRX-AWEZNQCLSA-N 2 2 255.365 3.147 20 0 CGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000623656081 349857033 /nfs/dbraw/zinc/85/70/33/349857033.db2.gz MMIWAFHMWDIDPT-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000623656081 349857035 /nfs/dbraw/zinc/85/70/35/349857035.db2.gz MMIWAFHMWDIDPT-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CS[C@@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000128081998 187350445 /nfs/dbraw/zinc/35/04/45/187350445.db2.gz LMGUVTQDTLWMJI-LBPRGKRZSA-N 2 2 275.421 3.022 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728276 349872319 /nfs/dbraw/zinc/87/23/19/349872319.db2.gz GDUJHHCNMAMUJZ-OAJJDEHYSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728276 349872322 /nfs/dbraw/zinc/87/23/22/349872322.db2.gz GDUJHHCNMAMUJZ-OAJJDEHYSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@@H+]1C1CC1 ZINC000623787339 349884074 /nfs/dbraw/zinc/88/40/74/349884074.db2.gz IVVNZDCIEJFFDY-NWDGAFQWSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@H+]1C1CC1 ZINC000623787339 349884077 /nfs/dbraw/zinc/88/40/77/349884077.db2.gz IVVNZDCIEJFFDY-NWDGAFQWSA-N 2 2 290.373 3.324 20 0 CGADLP c1cn2c(cccc2CNc2[nH+]ccn2-c2ccccc2)[nH+]1 ZINC000351567326 219127944 /nfs/dbraw/zinc/12/79/44/219127944.db2.gz IKULCJLGEVEIOA-UHFFFAOYSA-N 2 2 289.342 3.132 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863926 349899683 /nfs/dbraw/zinc/89/96/83/349899683.db2.gz BVJYDMRLXGQZQK-VNHYZAJKSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863926 349899686 /nfs/dbraw/zinc/89/96/86/349899686.db2.gz BVJYDMRLXGQZQK-VNHYZAJKSA-N 2 2 295.496 3.470 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC1(C)C ZINC000426553694 529975267 /nfs/dbraw/zinc/97/52/67/529975267.db2.gz DVPPTSUTKCMEJE-ZDUSSCGKSA-N 2 2 261.394 3.164 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC1(C)C ZINC000426553694 529975269 /nfs/dbraw/zinc/97/52/69/529975269.db2.gz DVPPTSUTKCMEJE-ZDUSSCGKSA-N 2 2 261.394 3.164 20 0 CGADLP c1nc2c(s1)CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000623903636 349911930 /nfs/dbraw/zinc/91/19/30/349911930.db2.gz MDUMPZPCLLNCAR-GFCCVEGCSA-N 2 2 288.420 3.007 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000037997492 344954132 /nfs/dbraw/zinc/95/41/32/344954132.db2.gz OGKABGLMFZNBFU-CYBMUJFWSA-N 2 2 282.378 3.176 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037292719 344949439 /nfs/dbraw/zinc/94/94/39/344949439.db2.gz JUXKBJODIHYYCZ-USXIJHARSA-N 2 2 288.435 3.281 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037292719 344949441 /nfs/dbraw/zinc/94/94/41/344949441.db2.gz JUXKBJODIHYYCZ-USXIJHARSA-N 2 2 288.435 3.281 20 0 CGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1C ZINC000044353313 345009577 /nfs/dbraw/zinc/00/95/77/345009577.db2.gz AFCWNNNNVKESBW-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000045107272 345021311 /nfs/dbraw/zinc/02/13/11/345021311.db2.gz CARDYNNKGLDYNY-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707468 345075384 /nfs/dbraw/zinc/07/53/84/345075384.db2.gz RGWVDOVIDBDMQO-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707468 345075385 /nfs/dbraw/zinc/07/53/85/345075385.db2.gz RGWVDOVIDBDMQO-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952085 345094226 /nfs/dbraw/zinc/09/42/26/345094226.db2.gz CLVJZEBWTHIPMV-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@H](C)Cn1cc[nH+]c1 ZINC000063105982 345243469 /nfs/dbraw/zinc/24/34/69/345243469.db2.gz TZVQEPYEKLMJEF-CYBMUJFWSA-N 2 2 266.348 3.240 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000063188571 345244201 /nfs/dbraw/zinc/24/42/01/345244201.db2.gz UMLQJTDUQCSRAV-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000063188571 345244205 /nfs/dbraw/zinc/24/42/05/345244205.db2.gz UMLQJTDUQCSRAV-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CC1CCCCC1 ZINC000069311491 345377001 /nfs/dbraw/zinc/37/70/01/345377001.db2.gz SIHDSRWOUBOPFK-KRWDZBQOSA-N 2 2 258.409 3.125 20 0 CGADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CC1CCCCC1 ZINC000069311491 345377004 /nfs/dbraw/zinc/37/70/04/345377004.db2.gz SIHDSRWOUBOPFK-KRWDZBQOSA-N 2 2 258.409 3.125 20 0 CGADLP CCCOc1ccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000071314906 345402310 /nfs/dbraw/zinc/40/23/10/345402310.db2.gz LPTJIJAELIQBMP-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000071314906 345402312 /nfs/dbraw/zinc/40/23/12/345402312.db2.gz LPTJIJAELIQBMP-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131486192 232192706 /nfs/dbraw/zinc/19/27/06/232192706.db2.gz QPCPSIMENPIUGY-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131486192 232192708 /nfs/dbraw/zinc/19/27/08/232192708.db2.gz QPCPSIMENPIUGY-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP CC[C@H](C[NH2+][C@@H](c1cccnc1)C(C)C)[NH+]1CCCC1 ZINC000091284169 345809824 /nfs/dbraw/zinc/80/98/24/345809824.db2.gz ZMOJRMBDVYDTDI-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000089553078 345770827 /nfs/dbraw/zinc/77/08/27/345770827.db2.gz MSCFOVOXGAKRCD-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccccc1F ZINC000090847241 345796137 /nfs/dbraw/zinc/79/61/37/345796137.db2.gz LNQXIEHQXRWKOG-CYBMUJFWSA-N 2 2 258.340 3.422 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cn1 ZINC000092766589 345858112 /nfs/dbraw/zinc/85/81/12/345858112.db2.gz PLTHDKYJBJMACX-ZDUSSCGKSA-N 2 2 291.414 3.278 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092072364 345830703 /nfs/dbraw/zinc/83/07/03/345830703.db2.gz KGYZKNBQEIHQCQ-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000092072364 345830707 /nfs/dbraw/zinc/83/07/07/345830707.db2.gz KGYZKNBQEIHQCQ-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(CC)s2)CC1 ZINC000092165311 345831850 /nfs/dbraw/zinc/83/18/50/345831850.db2.gz UUMROHGKNDBKBH-UHFFFAOYSA-N 2 2 281.469 3.012 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(CC)s2)CC1 ZINC000092165311 345831854 /nfs/dbraw/zinc/83/18/54/345831854.db2.gz UUMROHGKNDBKBH-UHFFFAOYSA-N 2 2 281.469 3.012 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865712 345890281 /nfs/dbraw/zinc/89/02/81/345890281.db2.gz OLAVBHFAPUUTCS-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865712 345890285 /nfs/dbraw/zinc/89/02/85/345890285.db2.gz OLAVBHFAPUUTCS-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000093178891 345871597 /nfs/dbraw/zinc/87/15/97/345871597.db2.gz JOKMZAHXYAGEER-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000093178891 345871598 /nfs/dbraw/zinc/87/15/98/345871598.db2.gz JOKMZAHXYAGEER-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000093178891 345871600 /nfs/dbraw/zinc/87/16/00/345871600.db2.gz JOKMZAHXYAGEER-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093178891 345871602 /nfs/dbraw/zinc/87/16/02/345871602.db2.gz JOKMZAHXYAGEER-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000225376740 346303797 /nfs/dbraw/zinc/30/37/97/346303797.db2.gz KWQIUTXSAUHLCJ-QGZVFWFLSA-N 2 2 286.444 3.287 20 0 CGADLP C[NH+](C)[C@@]1(CNc2[nH+]ccc3ccccc32)CCSC1 ZINC000624020749 349949434 /nfs/dbraw/zinc/94/94/34/349949434.db2.gz VSRBCHUMLZFDDI-MRXNPFEDSA-N 2 2 287.432 3.084 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453485 346391171 /nfs/dbraw/zinc/39/11/71/346391171.db2.gz LNPWXNQZYMTHMV-VWYCJHECSA-N 2 2 285.218 3.206 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)s1 ZINC000594746573 347215712 /nfs/dbraw/zinc/21/57/12/347215712.db2.gz OETNHYPQRSEQSD-OAHLLOKOSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c(C)s1 ZINC000594746573 347215715 /nfs/dbraw/zinc/21/57/15/347215715.db2.gz OETNHYPQRSEQSD-OAHLLOKOSA-N 2 2 266.454 3.327 20 0 CGADLP CCSCc1cc[nH+]c(NCc2c[nH+]c3n2CCC3)c1 ZINC000594934004 347234113 /nfs/dbraw/zinc/23/41/13/347234113.db2.gz CCZCBKCYSYCCDS-UHFFFAOYSA-N 2 2 288.420 3.090 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336103675 282528869 /nfs/dbraw/zinc/52/88/69/282528869.db2.gz SEWQWNGJELVZRG-SNVBAGLBSA-N 2 2 296.201 3.295 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000595019634 347259616 /nfs/dbraw/zinc/25/96/16/347259616.db2.gz SGGMJXOBZNHOHZ-GJZGRUSLSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000595019634 347259618 /nfs/dbraw/zinc/25/96/18/347259618.db2.gz SGGMJXOBZNHOHZ-GJZGRUSLSA-N 2 2 298.471 3.188 20 0 CGADLP CSCC1CCC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000595047701 347268637 /nfs/dbraw/zinc/26/86/37/347268637.db2.gz FKRWGISTYABMPJ-YMAMQOFZSA-N 2 2 284.513 3.371 20 0 CGADLP CSCC1CCC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000595047701 347268639 /nfs/dbraw/zinc/26/86/39/347268639.db2.gz FKRWGISTYABMPJ-YMAMQOFZSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862853 219230338 /nfs/dbraw/zinc/23/03/38/219230338.db2.gz RHHQIDTYHAZCPV-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862853 219230341 /nfs/dbraw/zinc/23/03/41/219230341.db2.gz RHHQIDTYHAZCPV-GHMZBOCLSA-N 2 2 293.461 3.041 20 0 CGADLP COc1ccc(F)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000339347523 215111512 /nfs/dbraw/zinc/11/15/12/215111512.db2.gz QGSFVEYVTQHHLG-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP COc1cccc(C=C2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000270874494 190850958 /nfs/dbraw/zinc/85/09/58/190850958.db2.gz MKNFWNUTCFZOSB-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000358014879 233037544 /nfs/dbraw/zinc/03/75/44/233037544.db2.gz DTGNNJFAKCWIKJ-GLJUWKHASA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000358014879 233037545 /nfs/dbraw/zinc/03/75/45/233037545.db2.gz DTGNNJFAKCWIKJ-GLJUWKHASA-N 2 2 288.435 3.219 20 0 CGADLP CC[NH+](CC)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121309 137872939 /nfs/dbraw/zinc/87/29/39/137872939.db2.gz DNISKUORNGZYGP-UHFFFAOYSA-N 2 2 264.417 3.052 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359039673 233247480 /nfs/dbraw/zinc/24/74/80/233247480.db2.gz XATAKUXKPPUTSX-QQFBHYJXSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@@H+]1C ZINC000624344933 350030531 /nfs/dbraw/zinc/03/05/31/350030531.db2.gz URIADLZJOWMSMP-CHWSQXEVSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3c(F)cccc3F)CCC2)CC[N@H+]1C ZINC000624344933 350030535 /nfs/dbraw/zinc/03/05/35/350030535.db2.gz URIADLZJOWMSMP-CHWSQXEVSA-N 2 2 294.389 3.416 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2CCCCC2)CC1 ZINC000626086886 350258530 /nfs/dbraw/zinc/25/85/30/350258530.db2.gz UKALODYXJDWHKI-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000359749565 233371200 /nfs/dbraw/zinc/37/12/00/233371200.db2.gz QOXWTAXKVJLNSZ-VXGBXAGGSA-N 2 2 272.845 3.364 20 0 CGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000352113627 219325050 /nfs/dbraw/zinc/32/50/50/219325050.db2.gz LIYGZNQEBRQXTO-KMPOOHAWSA-N 2 2 299.418 3.111 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000628190935 350433510 /nfs/dbraw/zinc/43/35/10/350433510.db2.gz VCDKRMNXQKQLTK-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000628190935 350433512 /nfs/dbraw/zinc/43/35/12/350433512.db2.gz VCDKRMNXQKQLTK-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@]1(C)CCCS1 ZINC000628275748 350474154 /nfs/dbraw/zinc/47/41/54/350474154.db2.gz BFSFFWAEGMKNJP-INIZCTEOSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@]1(C)CCCS1 ZINC000628275748 350474158 /nfs/dbraw/zinc/47/41/58/350474158.db2.gz BFSFFWAEGMKNJP-INIZCTEOSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@]1(C)CCCS1)Cc1ccco1 ZINC000628275748 350474163 /nfs/dbraw/zinc/47/41/63/350474163.db2.gz BFSFFWAEGMKNJP-INIZCTEOSA-N 2 2 296.480 3.319 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@]1(C)CCCS1)Cc1ccco1 ZINC000628275748 350474166 /nfs/dbraw/zinc/47/41/66/350474166.db2.gz BFSFFWAEGMKNJP-INIZCTEOSA-N 2 2 296.480 3.319 20 0 CGADLP Cc1ccc([C@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000628280276 350474857 /nfs/dbraw/zinc/47/48/57/350474857.db2.gz YQBZFZSKQOMNKN-MRXNPFEDSA-N 2 2 271.408 3.317 20 0 CGADLP Cc1ccc([C@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000628280276 350474861 /nfs/dbraw/zinc/47/48/61/350474861.db2.gz YQBZFZSKQOMNKN-MRXNPFEDSA-N 2 2 271.408 3.317 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CS1 ZINC000628453934 350541657 /nfs/dbraw/zinc/54/16/57/350541657.db2.gz ALNSGHSGOJGQLS-BMFZPTHFSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CS1 ZINC000628453934 350541660 /nfs/dbraw/zinc/54/16/60/350541660.db2.gz ALNSGHSGOJGQLS-BMFZPTHFSA-N 2 2 282.497 3.123 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000629525890 350702425 /nfs/dbraw/zinc/70/24/25/350702425.db2.gz FQGBTTWHOFTVKT-RRQGHBQHSA-N 2 2 276.424 3.265 20 0 CGADLP COCCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629542308 350707654 /nfs/dbraw/zinc/70/76/54/350707654.db2.gz DNKLUWDZYYBAGD-JQFCIGGWSA-N 2 2 294.414 3.024 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543924 350708300 /nfs/dbraw/zinc/70/83/00/350708300.db2.gz FWOBYWAGHZMGIP-MJEQTWJJSA-N 2 2 283.419 3.194 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000629545086 350709494 /nfs/dbraw/zinc/70/94/94/350709494.db2.gz BBUAYFPDHZKTOF-UVBJJODRSA-N 2 2 278.827 3.448 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544350 350709615 /nfs/dbraw/zinc/70/96/15/350709615.db2.gz KLPZDBINHYPDNS-GLQYFDAESA-N 2 2 294.826 3.202 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2c(s1)CCCC2 ZINC000629546709 350710191 /nfs/dbraw/zinc/71/01/91/350710191.db2.gz XDTLCFHURCGDRA-GMXVVIOVSA-N 2 2 264.438 3.028 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000629389276 350686792 /nfs/dbraw/zinc/68/67/92/350686792.db2.gz UFUPSNSCAVZDMC-QWHCGFSZSA-N 2 2 266.454 3.276 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[NH2+]1 ZINC000629396523 350688477 /nfs/dbraw/zinc/68/84/77/350688477.db2.gz MGQCKSCDTIJZHU-RNCFNFMXSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000629408770 350689453 /nfs/dbraw/zinc/68/94/53/350689453.db2.gz ZOZUIZZNVSBEOO-SUMWQHHRSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000629405202 350689543 /nfs/dbraw/zinc/68/95/43/350689543.db2.gz HZMOKHBUHKBKLS-HNAYVOBHSA-N 2 2 296.414 3.106 20 0 CGADLP Cc1cc(-c2ccc(N3CCCC3)[nH+]c2)cc2c1C[NH2+]CC2 ZINC000629709782 350748684 /nfs/dbraw/zinc/74/86/84/350748684.db2.gz KVTNTUGRJKTAFX-UHFFFAOYSA-N 2 2 293.414 3.303 20 0 CGADLP C[NH2+]c1ccc(N[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000629652475 350730419 /nfs/dbraw/zinc/73/04/19/350730419.db2.gz AUDBDXRFMWTFPG-CZUORRHYSA-N 2 2 261.413 3.451 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629673678 350734576 /nfs/dbraw/zinc/73/45/76/350734576.db2.gz BQBLWLUSTVUPJH-LBPRGKRZSA-N 2 2 282.378 3.307 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@]34C[C@@H]3CCCC4)c2)c[nH+]1 ZINC000631227526 350998591 /nfs/dbraw/zinc/99/85/91/350998591.db2.gz QYMCWHXRKYLZRU-WFASDCNBSA-N 2 2 273.405 3.356 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@]34C[C@H]3CCCC4)cc2)c[nH+]1 ZINC000631226894 350998670 /nfs/dbraw/zinc/99/86/70/350998670.db2.gz ONKYGYIEKZUJTN-NVXWUHKLSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260341 351009842 /nfs/dbraw/zinc/00/98/42/351009842.db2.gz NCEXTEFXDMUORH-ZGKBOVNRSA-N 2 2 298.352 3.047 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260341 351009844 /nfs/dbraw/zinc/00/98/44/351009844.db2.gz NCEXTEFXDMUORH-ZGKBOVNRSA-N 2 2 298.352 3.047 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCCn1cc[nH+]c1 ZINC000631561297 351067160 /nfs/dbraw/zinc/06/71/60/351067160.db2.gz MHLAEZFOJDRCSL-OAHLLOKOSA-N 2 2 296.418 3.365 20 0 CGADLP Cc1cc(C)c(CN2CC[NH2+]C[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000631828311 351148575 /nfs/dbraw/zinc/14/85/75/351148575.db2.gz LLLIPKPMWSIHRZ-LJQANCHMSA-N 2 2 295.430 3.153 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890690 351153140 /nfs/dbraw/zinc/15/31/40/351153140.db2.gz SDHAIRQEZINKRH-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890690 351153144 /nfs/dbraw/zinc/15/31/44/351153144.db2.gz SDHAIRQEZINKRH-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631757400 351138408 /nfs/dbraw/zinc/13/84/08/351138408.db2.gz XJWSRKQONFACDK-ZLKJLUDKSA-N 2 2 295.308 3.474 20 0 CGADLP C[C@@H]1C[N@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000634998937 351620973 /nfs/dbraw/zinc/62/09/73/351620973.db2.gz NIBIQWFQIFAJDT-HTQZYQBOSA-N 2 2 279.236 3.082 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000634998937 351620975 /nfs/dbraw/zinc/62/09/75/351620975.db2.gz NIBIQWFQIFAJDT-HTQZYQBOSA-N 2 2 279.236 3.082 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000336497280 213370260 /nfs/dbraw/zinc/37/02/60/213370260.db2.gz HOQLKXPMKRCCBO-HUUCEWRRSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@@H](C[NH2+]Cc1csc(-c2ccsc2)n1)C[NH+](C)C ZINC000291742460 198077418 /nfs/dbraw/zinc/07/74/18/198077418.db2.gz PBGCVZPPLQHDRO-NSHDSACASA-N 2 2 295.477 3.159 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000124048534 187120127 /nfs/dbraw/zinc/12/01/27/187120127.db2.gz WVOZQLGCTAYCME-LSDHHAIUSA-N 2 2 284.407 3.183 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)c2ccccc21 ZINC000131956535 187598727 /nfs/dbraw/zinc/59/87/27/187598727.db2.gz LXSDVUVWOSWOJJ-HOTGVXAUSA-N 2 2 256.324 3.060 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccs1)CCC2 ZINC000366208755 234154851 /nfs/dbraw/zinc/15/48/51/234154851.db2.gz IYEXRYMUOOVZRT-OLZOCXBDSA-N 2 2 275.421 3.481 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000154555056 188149848 /nfs/dbraw/zinc/14/98/48/188149848.db2.gz MVGHVRUWPPODSW-YPMHNXCESA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000154555056 188149850 /nfs/dbraw/zinc/14/98/50/188149850.db2.gz MVGHVRUWPPODSW-YPMHNXCESA-N 2 2 282.428 3.292 20 0 CGADLP Fc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000157352028 188312044 /nfs/dbraw/zinc/31/20/44/188312044.db2.gz AAZBIQHHOIMHNT-OAHLLOKOSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000157352028 188312046 /nfs/dbraw/zinc/31/20/46/188312046.db2.gz AAZBIQHHOIMHNT-OAHLLOKOSA-N 2 2 294.389 3.415 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(C)c2C)n1C ZINC000521069860 260389088 /nfs/dbraw/zinc/38/90/88/260389088.db2.gz VYOZRNKVSFNZHB-CYBMUJFWSA-N 2 2 257.381 3.196 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1F ZINC000127727985 138391008 /nfs/dbraw/zinc/39/10/08/138391008.db2.gz NXYBJCJHTKQNDL-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128098079 138391888 /nfs/dbraw/zinc/39/18/88/138391888.db2.gz SKJMWRJIUIDQDK-ZMSDIMECSA-N 2 2 278.440 3.083 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423156509 235984444 /nfs/dbraw/zinc/98/44/44/235984444.db2.gz SQXFYGUALHOCAN-UAGQMJEPSA-N 2 2 298.434 3.047 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cnn1C(C)C ZINC000423238773 236005200 /nfs/dbraw/zinc/00/52/00/236005200.db2.gz JHOOIIHNVJXETE-SUMWQHHRSA-N 2 2 286.423 3.123 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000423236544 236005303 /nfs/dbraw/zinc/00/53/03/236005303.db2.gz HPNAVZOFZRQIAC-CVEARBPZSA-N 2 2 288.341 3.242 20 0 CGADLP CSCC1CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423239620 236006573 /nfs/dbraw/zinc/00/65/73/236006573.db2.gz BMJDFKUYCZNFBQ-AVVWSFFYSA-N 2 2 278.465 3.198 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc2cc1C ZINC000423312100 236034458 /nfs/dbraw/zinc/03/44/58/236034458.db2.gz CSULTYDATTZVGQ-DOMZBBRYSA-N 2 2 272.392 3.438 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c(C)c1 ZINC000423428011 236069428 /nfs/dbraw/zinc/06/94/28/236069428.db2.gz IUVDKIKDDBGRRK-WCIQWLHISA-N 2 2 292.426 3.200 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423448950 236073335 /nfs/dbraw/zinc/07/33/35/236073335.db2.gz QXZADXBBUSIYLD-CIUDSAMLSA-N 2 2 261.196 3.380 20 0 CGADLP Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1C[NH+](C)C ZINC000424166705 236127746 /nfs/dbraw/zinc/12/77/46/236127746.db2.gz GKAXUYNCPXLMTA-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424333088 236151800 /nfs/dbraw/zinc/15/18/00/236151800.db2.gz XJKMJNGXZMIKRJ-WFASDCNBSA-N 2 2 253.349 3.075 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000425339697 236232492 /nfs/dbraw/zinc/23/24/92/236232492.db2.gz TYDHXZAGMWOCOD-AWEZNQCLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000425339697 236232493 /nfs/dbraw/zinc/23/24/93/236232493.db2.gz TYDHXZAGMWOCOD-AWEZNQCLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000428363308 236398337 /nfs/dbraw/zinc/39/83/37/236398337.db2.gz LMKNYQJLXHIJSQ-UHFFFAOYSA-N 2 2 279.428 3.069 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cc(F)ncc1F)C1CCCCC1 ZINC000294716153 199149066 /nfs/dbraw/zinc/14/90/66/199149066.db2.gz HSHDASQSHVKVHY-UHFFFAOYSA-N 2 2 297.393 3.104 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cc(F)ncc1F)C1CCCCC1 ZINC000294716153 199149068 /nfs/dbraw/zinc/14/90/68/199149068.db2.gz HSHDASQSHVKVHY-UHFFFAOYSA-N 2 2 297.393 3.104 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)n1 ZINC000336202565 213023532 /nfs/dbraw/zinc/02/35/32/213023532.db2.gz CPDJZROOHAWGTA-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000436412214 237098656 /nfs/dbraw/zinc/09/86/56/237098656.db2.gz PBPONHLZKIQYSN-IKGGRYGDSA-N 2 2 281.403 3.124 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000436408607 237098836 /nfs/dbraw/zinc/09/88/36/237098836.db2.gz JCBBCWNUIPWYNY-RCCFBDPRSA-N 2 2 295.430 3.199 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1cccc(F)c1 ZINC000297310296 200143493 /nfs/dbraw/zinc/14/34/93/200143493.db2.gz BUHLLTVIEKGXGC-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1cccc(F)c1 ZINC000297310296 200143495 /nfs/dbraw/zinc/14/34/95/200143495.db2.gz BUHLLTVIEKGXGC-GUYCJALGSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000437776577 237342861 /nfs/dbraw/zinc/34/28/61/237342861.db2.gz PONWSHKKAOOKLD-IOASZLSFSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(F)cc1 ZINC000437776577 237342866 /nfs/dbraw/zinc/34/28/66/237342866.db2.gz PONWSHKKAOOKLD-IOASZLSFSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000298089988 200331521 /nfs/dbraw/zinc/33/15/21/200331521.db2.gz MOGMREPLNRTZEW-RVKKMQEKSA-N 2 2 283.419 3.229 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000298089988 200331523 /nfs/dbraw/zinc/33/15/23/200331523.db2.gz MOGMREPLNRTZEW-RVKKMQEKSA-N 2 2 283.419 3.229 20 0 CGADLP CC(C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177309480 189043310 /nfs/dbraw/zinc/04/33/10/189043310.db2.gz YEWFXKGLWGLKCL-UHFFFAOYSA-N 2 2 284.407 3.135 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC4(C3)CCCCC4)cn2)c[nH+]1 ZINC000177297446 189042942 /nfs/dbraw/zinc/04/29/42/189042942.db2.gz XKNBMNDHMUWJPA-UHFFFAOYSA-N 2 2 296.418 3.424 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CCCCC4)cn2)c[nH+]1 ZINC000177297446 189042943 /nfs/dbraw/zinc/04/29/43/189042943.db2.gz XKNBMNDHMUWJPA-UHFFFAOYSA-N 2 2 296.418 3.424 20 0 CGADLP COCCC[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000178228620 189099683 /nfs/dbraw/zinc/09/96/83/189099683.db2.gz CYBHOGKTXBHVTQ-CQSZACIVSA-N 2 2 289.423 3.140 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)Cn1cc[nH+]c1 ZINC000178620031 189131672 /nfs/dbraw/zinc/13/16/72/189131672.db2.gz BFKBRYBAUHOROZ-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP CC1(C)[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000181006751 189285936 /nfs/dbraw/zinc/28/59/36/189285936.db2.gz GNPGGIVMNILDON-IRXDYDNUSA-N 2 2 283.419 3.445 20 0 CGADLP c1cc(NC2CC[NH+](C3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301490163 201027072 /nfs/dbraw/zinc/02/70/72/201027072.db2.gz ALIIXPSCHLDIGI-UHFFFAOYSA-N 2 2 286.423 3.173 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479729 189325774 /nfs/dbraw/zinc/32/57/74/189325774.db2.gz RHLWCCAHNBZBNF-UAGQMJEPSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCCC[C@H]12 ZINC000182479729 189325775 /nfs/dbraw/zinc/32/57/75/189325775.db2.gz RHLWCCAHNBZBNF-UAGQMJEPSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182836755 189336790 /nfs/dbraw/zinc/33/67/90/189336790.db2.gz HEYVLINWJGADLR-WBVHZDCISA-N 2 2 269.392 3.151 20 0 CGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182836755 189336791 /nfs/dbraw/zinc/33/67/91/189336791.db2.gz HEYVLINWJGADLR-WBVHZDCISA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@@H+]1C ZINC000449233869 239257969 /nfs/dbraw/zinc/25/79/69/239257969.db2.gz NPOYDKQPUXVELU-OBHHBEAMSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@H+]1C ZINC000449233869 239257972 /nfs/dbraw/zinc/25/79/72/239257972.db2.gz NPOYDKQPUXVELU-OBHHBEAMSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000120394319 370763728 /nfs/dbraw/zinc/76/37/28/370763728.db2.gz GVDXQOZQPZXRIY-SKDZVZGDSA-N 2 2 270.420 3.353 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000120394319 370763731 /nfs/dbraw/zinc/76/37/31/370763731.db2.gz GVDXQOZQPZXRIY-SKDZVZGDSA-N 2 2 270.420 3.353 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000451073145 240211906 /nfs/dbraw/zinc/21/19/06/240211906.db2.gz ILPCHTISCQODOA-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000451073145 240211910 /nfs/dbraw/zinc/21/19/10/240211910.db2.gz ILPCHTISCQODOA-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000451073145 240211914 /nfs/dbraw/zinc/21/19/14/240211914.db2.gz ILPCHTISCQODOA-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000451073145 240211919 /nfs/dbraw/zinc/21/19/19/240211919.db2.gz ILPCHTISCQODOA-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CCC[NH+]3CCCCC3)c2C[C@H]1C ZINC000451343657 240278614 /nfs/dbraw/zinc/27/86/14/240278614.db2.gz PQGCCANUFOTUBT-HUUCEWRRSA-N 2 2 275.440 3.130 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453122914 240714036 /nfs/dbraw/zinc/71/40/36/240714036.db2.gz GSHHWSUWHVGJMA-VYDXJSESSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000453122914 240714039 /nfs/dbraw/zinc/71/40/39/240714039.db2.gz GSHHWSUWHVGJMA-VYDXJSESSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000335566265 212275089 /nfs/dbraw/zinc/27/50/89/212275089.db2.gz FISVBNLIVXJVOQ-SSDOTTSWSA-N 2 2 279.236 3.458 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000121367869 370855774 /nfs/dbraw/zinc/85/57/74/370855774.db2.gz ZNAGXAFPLYKQIA-GOSISDBHSA-N 2 2 293.414 3.328 20 0 CGADLP c1cn2c(cccc2C[NH+]2CC3(C2)CCCCC3)[nH+]1 ZINC000459593567 242140888 /nfs/dbraw/zinc/14/08/88/242140888.db2.gz JGFXQNRFKMGUSC-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC000459658004 242165112 /nfs/dbraw/zinc/16/51/12/242165112.db2.gz IOFXTHXTFZWQMY-AEFFLSMTSA-N 2 2 283.419 3.063 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000459658945 242167704 /nfs/dbraw/zinc/16/77/04/242167704.db2.gz JOOOFKNZSJLLEL-IEBWSBKVSA-N 2 2 297.446 3.354 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000459677753 242177620 /nfs/dbraw/zinc/17/76/20/242177620.db2.gz QBOPQGCQKZSXLQ-GUYCJALGSA-N 2 2 291.439 3.116 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459762168 242217618 /nfs/dbraw/zinc/21/76/18/242217618.db2.gz BEBZVUNKUUTQQT-FHLIZLRMSA-N 2 2 281.403 3.459 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000421833263 299377537 /nfs/dbraw/zinc/37/75/37/299377537.db2.gz NMUVVVGZMLZYQA-YNEHKIRRSA-N 2 2 281.831 3.258 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C[N@@H+]1C1CC1 ZINC000121702081 370887643 /nfs/dbraw/zinc/88/76/43/370887643.db2.gz BWIYSIXRSHTRAD-GXTWGEPZSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C[N@H+]1C1CC1 ZINC000121702081 370887650 /nfs/dbraw/zinc/88/76/50/370887650.db2.gz BWIYSIXRSHTRAD-GXTWGEPZSA-N 2 2 270.376 3.148 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095180 243137175 /nfs/dbraw/zinc/13/71/75/243137175.db2.gz QVHZTCGVTZNAEJ-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095180 243137177 /nfs/dbraw/zinc/13/71/77/243137177.db2.gz QVHZTCGVTZNAEJ-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP COC1(C[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC000480340371 243146130 /nfs/dbraw/zinc/14/61/30/243146130.db2.gz WXMWEHNJAKZFOV-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP COC1(C[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000480340371 243146137 /nfs/dbraw/zinc/14/61/37/243146137.db2.gz WXMWEHNJAKZFOV-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000482164635 243217108 /nfs/dbraw/zinc/21/71/08/243217108.db2.gz PDSDSGNVKXRTTA-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000482164635 243217115 /nfs/dbraw/zinc/21/71/15/243217115.db2.gz PDSDSGNVKXRTTA-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000482164635 243217118 /nfs/dbraw/zinc/21/71/18/243217118.db2.gz PDSDSGNVKXRTTA-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000482164635 243217124 /nfs/dbraw/zinc/21/71/24/243217124.db2.gz PDSDSGNVKXRTTA-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000481240083 243184793 /nfs/dbraw/zinc/18/47/93/243184793.db2.gz GSNQOBRHUIWFGA-QGZVFWFLSA-N 2 2 262.441 3.185 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000481240083 243184797 /nfs/dbraw/zinc/18/47/97/243184797.db2.gz GSNQOBRHUIWFGA-QGZVFWFLSA-N 2 2 262.441 3.185 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000482539553 243232681 /nfs/dbraw/zinc/23/26/81/243232681.db2.gz WVUQLIQMIUZNII-LULLPPNCSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000482539553 243232686 /nfs/dbraw/zinc/23/26/86/243232686.db2.gz WVUQLIQMIUZNII-LULLPPNCSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482641295 243235923 /nfs/dbraw/zinc/23/59/23/243235923.db2.gz KMTJRKKICWJGDS-QSJFSLAZSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482641295 243235931 /nfs/dbraw/zinc/23/59/31/243235931.db2.gz KMTJRKKICWJGDS-QSJFSLAZSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000484470551 243312970 /nfs/dbraw/zinc/31/29/70/243312970.db2.gz GLTICRNKKWFQQB-WBVHZDCISA-N 2 2 292.492 3.391 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC1(C)C ZINC000486981027 243390496 /nfs/dbraw/zinc/39/04/96/243390496.db2.gz MAWYSEBGCYWMOC-RDJZCZTQSA-N 2 2 297.446 3.498 20 0 CGADLP CC[NH+](CC)CCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000019778041 368766043 /nfs/dbraw/zinc/76/60/43/368766043.db2.gz RULVEIVFKUQWJQ-UHFFFAOYSA-N 2 2 299.418 3.414 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019843419 368771911 /nfs/dbraw/zinc/77/19/11/368771911.db2.gz CRTRABVLSOMQBD-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019843419 368771914 /nfs/dbraw/zinc/77/19/14/368771914.db2.gz CRTRABVLSOMQBD-SNVBAGLBSA-N 2 2 273.207 3.164 20 0 CGADLP COc1cccc2c(NC3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000276019237 193190694 /nfs/dbraw/zinc/19/06/94/193190694.db2.gz AZQBHZBXOXZDHI-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1F ZINC000019912860 368782521 /nfs/dbraw/zinc/78/25/21/368782521.db2.gz QEUXFEAYBDYDTM-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1F ZINC000019912860 368782528 /nfs/dbraw/zinc/78/25/28/368782528.db2.gz QEUXFEAYBDYDTM-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020019167 368793584 /nfs/dbraw/zinc/79/35/84/368793584.db2.gz QFHBEODFVGCBCB-KSSFIOAISA-N 2 2 272.436 3.310 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000020019167 368793589 /nfs/dbraw/zinc/79/35/89/368793589.db2.gz QFHBEODFVGCBCB-KSSFIOAISA-N 2 2 272.436 3.310 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000032107755 368925015 /nfs/dbraw/zinc/92/50/15/368925015.db2.gz NEHXPHSXXPRXOO-UHFFFAOYSA-N 2 2 252.789 3.043 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000032107755 368925020 /nfs/dbraw/zinc/92/50/20/368925020.db2.gz NEHXPHSXXPRXOO-UHFFFAOYSA-N 2 2 252.789 3.043 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000037157245 369072511 /nfs/dbraw/zinc/07/25/11/369072511.db2.gz PROXLQBORMMRRY-NEPJUHHUSA-N 2 2 263.772 3.276 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157385 369072937 /nfs/dbraw/zinc/07/29/37/369072937.db2.gz QCTWBKFFXOQXFK-HUUCEWRRSA-N 2 2 287.407 3.411 20 0 CGADLP c1cn(CCC[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000041075408 369172349 /nfs/dbraw/zinc/17/23/49/369172349.db2.gz FJKWNQXMNRZMHM-MRXNPFEDSA-N 2 2 255.365 3.014 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685077 369265115 /nfs/dbraw/zinc/26/51/15/369265115.db2.gz XWKNWYIQHPXYLN-CZUORRHYSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685077 369265117 /nfs/dbraw/zinc/26/51/17/369265117.db2.gz XWKNWYIQHPXYLN-CZUORRHYSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685086 369265883 /nfs/dbraw/zinc/26/58/83/369265883.db2.gz XWKNWYIQHPXYLN-BBRMVZONSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685086 369265889 /nfs/dbraw/zinc/26/58/89/369265889.db2.gz XWKNWYIQHPXYLN-BBRMVZONSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685501 369267407 /nfs/dbraw/zinc/26/74/07/369267407.db2.gz NIABOPCPBZEBBK-SUMWQHHRSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685501 369267411 /nfs/dbraw/zinc/26/74/11/369267411.db2.gz NIABOPCPBZEBBK-SUMWQHHRSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269258 244278346 /nfs/dbraw/zinc/27/83/46/244278346.db2.gz WNJOOLSKEQRWOX-PBHICJAKSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269258 244278348 /nfs/dbraw/zinc/27/83/48/244278348.db2.gz WNJOOLSKEQRWOX-PBHICJAKSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494395573 244285321 /nfs/dbraw/zinc/28/53/21/244285321.db2.gz XWNVBLYFMOKSRU-MRXNPFEDSA-N 2 2 283.419 3.285 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494423711 244287927 /nfs/dbraw/zinc/28/79/27/244287927.db2.gz GIXLADSJDOPIMD-ZDUSSCGKSA-N 2 2 295.308 3.007 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000494697909 244311918 /nfs/dbraw/zinc/31/19/18/244311918.db2.gz SEDRQIRTJCVLJU-GJYPPUQNSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000494697909 244311921 /nfs/dbraw/zinc/31/19/21/244311921.db2.gz SEDRQIRTJCVLJU-GJYPPUQNSA-N 2 2 286.463 3.307 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000494931991 244333115 /nfs/dbraw/zinc/33/31/15/244333115.db2.gz RPDCNMXAFNKKDU-TYNCELHUSA-N 2 2 273.355 3.146 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCCC(C)C ZINC000053524103 369485168 /nfs/dbraw/zinc/48/51/68/369485168.db2.gz GBRVOJIRGUHVSE-UHFFFAOYSA-N 2 2 259.397 3.371 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286606 193271850 /nfs/dbraw/zinc/27/18/50/193271850.db2.gz SLPQSRFHAHAMQJ-CPUCHLNUSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286606 193271852 /nfs/dbraw/zinc/27/18/52/193271852.db2.gz SLPQSRFHAHAMQJ-CPUCHLNUSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286606 193271854 /nfs/dbraw/zinc/27/18/54/193271854.db2.gz SLPQSRFHAHAMQJ-CPUCHLNUSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1cccc(Cl)c1 ZINC000276286606 193271855 /nfs/dbraw/zinc/27/18/55/193271855.db2.gz SLPQSRFHAHAMQJ-CPUCHLNUSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680975 369605932 /nfs/dbraw/zinc/60/59/32/369605932.db2.gz WXCQOJPHPURCQI-CYBMUJFWSA-N 2 2 289.448 3.240 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000090721869 370066428 /nfs/dbraw/zinc/06/64/28/370066428.db2.gz VXXUTXZUCSZDFK-QWRGUYRKSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000090721869 370066432 /nfs/dbraw/zinc/06/64/32/370066432.db2.gz VXXUTXZUCSZDFK-QWRGUYRKSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000093644910 370153062 /nfs/dbraw/zinc/15/30/62/370153062.db2.gz RNMTXMMAVHNDQA-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000093644910 370153069 /nfs/dbraw/zinc/15/30/69/370153069.db2.gz RNMTXMMAVHNDQA-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644910 370153072 /nfs/dbraw/zinc/15/30/72/370153072.db2.gz RNMTXMMAVHNDQA-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644910 370153077 /nfs/dbraw/zinc/15/30/77/370153077.db2.gz RNMTXMMAVHNDQA-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243342 370395042 /nfs/dbraw/zinc/39/50/42/370395042.db2.gz LGNWDFLVRYKJTG-AWEZNQCLSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513202 370476372 /nfs/dbraw/zinc/47/63/72/370476372.db2.gz MTNIZKOOGXFDRZ-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513202 370476377 /nfs/dbraw/zinc/47/63/77/370476377.db2.gz MTNIZKOOGXFDRZ-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494810 245083158 /nfs/dbraw/zinc/08/31/58/245083158.db2.gz JWULHNZRFYVZPR-UKRRQHHQSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494810 245083165 /nfs/dbraw/zinc/08/31/65/245083165.db2.gz JWULHNZRFYVZPR-UKRRQHHQSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514083956 245105489 /nfs/dbraw/zinc/10/54/89/245105489.db2.gz NNLZMKQYDNBSOQ-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000514083956 245105494 /nfs/dbraw/zinc/10/54/94/245105494.db2.gz NNLZMKQYDNBSOQ-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2(C)CC2)[NH+](C)C)cc1 ZINC000118985677 370634271 /nfs/dbraw/zinc/63/42/71/370634271.db2.gz PSFHVKCZJWNCCB-GOEBONIOSA-N 2 2 260.425 3.376 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131651867 371120648 /nfs/dbraw/zinc/12/06/48/371120648.db2.gz UPXIRRJAUPQWFO-CQSZACIVSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000131651867 371120651 /nfs/dbraw/zinc/12/06/51/371120651.db2.gz UPXIRRJAUPQWFO-CQSZACIVSA-N 2 2 290.313 3.013 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000133020221 371220191 /nfs/dbraw/zinc/22/01/91/371220191.db2.gz OSEFMZFSFMWUEC-LBPRGKRZSA-N 2 2 266.454 3.229 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000133020221 371220194 /nfs/dbraw/zinc/22/01/94/371220194.db2.gz OSEFMZFSFMWUEC-LBPRGKRZSA-N 2 2 266.454 3.229 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@@H]21 ZINC000133570404 371263960 /nfs/dbraw/zinc/26/39/60/371263960.db2.gz PZPXCGAYLHDSDG-YPMHNXCESA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@@H]21 ZINC000133570404 371263964 /nfs/dbraw/zinc/26/39/64/371263964.db2.gz PZPXCGAYLHDSDG-YPMHNXCESA-N 2 2 299.340 3.021 20 0 CGADLP Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc(C(C)C)[nH+]1 ZINC000134055712 371299607 /nfs/dbraw/zinc/29/96/07/371299607.db2.gz CRMYMGYJTNWYPY-DZGCQCFKSA-N 2 2 299.422 3.192 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)co1 ZINC000134284176 371319100 /nfs/dbraw/zinc/31/91/00/371319100.db2.gz URAMMOAQDQBGHT-UHFFFAOYSA-N 2 2 284.403 3.076 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000149792022 371531280 /nfs/dbraw/zinc/53/12/80/371531280.db2.gz HRGMYGPSIGXYOK-HNNXBMFYSA-N 2 2 273.424 3.219 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150770254 371538117 /nfs/dbraw/zinc/53/81/17/371538117.db2.gz MUFNDUABSIDAOS-HNNXBMFYSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150770254 371538124 /nfs/dbraw/zinc/53/81/24/371538124.db2.gz MUFNDUABSIDAOS-HNNXBMFYSA-N 2 2 278.827 3.258 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151068538 371564344 /nfs/dbraw/zinc/56/43/44/371564344.db2.gz AWRHPAIETWGDQK-SDIQTFFVSA-N 2 2 270.420 3.305 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151068538 371564348 /nfs/dbraw/zinc/56/43/48/371564348.db2.gz AWRHPAIETWGDQK-SDIQTFFVSA-N 2 2 270.420 3.305 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000287263843 371629817 /nfs/dbraw/zinc/62/98/17/371629817.db2.gz KXCFNGAERUHBOY-GFCCVEGCSA-N 2 2 299.340 3.023 20 0 CGADLP COC1([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCC1 ZINC000421825086 371647483 /nfs/dbraw/zinc/64/74/83/371647483.db2.gz LPTGFNCTSIHFTD-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345705 214021128 /nfs/dbraw/zinc/02/11/28/214021128.db2.gz VJKPNZNEAKTXCO-NVXWUHKLSA-N 2 2 275.440 3.038 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345705 214021130 /nfs/dbraw/zinc/02/11/30/214021130.db2.gz VJKPNZNEAKTXCO-NVXWUHKLSA-N 2 2 275.440 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000422731889 371771584 /nfs/dbraw/zinc/77/15/84/371771584.db2.gz OFPLZMSLSYOSMY-CXAGYDPISA-N 2 2 288.822 3.388 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422745111 371779346 /nfs/dbraw/zinc/77/93/46/371779346.db2.gz LPOUQNMWQPROSO-JYJNAYRXSA-N 2 2 284.488 3.194 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153797217 371789130 /nfs/dbraw/zinc/78/91/30/371789130.db2.gz USTUJMKAEIIBEL-ZBFHGGJFSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153797217 371789140 /nfs/dbraw/zinc/78/91/40/371789140.db2.gz USTUJMKAEIIBEL-ZBFHGGJFSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1C[C@]1([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000337381318 214041798 /nfs/dbraw/zinc/04/17/98/214041798.db2.gz DEBLORWJTXQVDB-DOTOQJQBSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422839846 371834541 /nfs/dbraw/zinc/83/45/41/371834541.db2.gz ROOLCHDUXPUFFB-FCLUMBPUSA-N 2 2 276.399 3.179 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422812943 371824148 /nfs/dbraw/zinc/82/41/48/371824148.db2.gz YNFPTYJNHQETFS-CXAGYDPISA-N 2 2 284.403 3.079 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422865899 371845366 /nfs/dbraw/zinc/84/53/66/371845366.db2.gz PSOKPVHQWBKDSZ-WMLDXEAASA-N 2 2 288.435 3.014 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422885959 371853460 /nfs/dbraw/zinc/85/34/60/371853460.db2.gz ZSBFHAZEEWFMBV-KGLIPLIRSA-N 2 2 270.779 3.099 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000154549169 371855560 /nfs/dbraw/zinc/85/55/60/371855560.db2.gz VOJRJFGZRSCDQA-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000154549169 371855570 /nfs/dbraw/zinc/85/55/70/371855570.db2.gz VOJRJFGZRSCDQA-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CCc1nccs1 ZINC000289982582 371869042 /nfs/dbraw/zinc/86/90/42/371869042.db2.gz JVCDGUHBIWHPED-UHFFFAOYSA-N 2 2 289.448 3.344 20 0 CGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CCc1nccs1 ZINC000289982582 371869048 /nfs/dbraw/zinc/86/90/48/371869048.db2.gz JVCDGUHBIWHPED-UHFFFAOYSA-N 2 2 289.448 3.344 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1cccs1 ZINC000422935202 371880010 /nfs/dbraw/zinc/88/00/10/371880010.db2.gz DJBPTRSQZQFFHA-ILXRZTDVSA-N 2 2 296.480 3.192 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000423061768 371941036 /nfs/dbraw/zinc/94/10/36/371941036.db2.gz LMICKUOCDUWKND-ZIAGYGMSSA-N 2 2 270.779 3.229 20 0 CGADLP c1coc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)c1 ZINC000422963083 371892994 /nfs/dbraw/zinc/89/29/94/371892994.db2.gz HKDVWRJELYQPMM-ONYGOOLBSA-N 2 2 282.387 3.242 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422999652 371908780 /nfs/dbraw/zinc/90/87/80/371908780.db2.gz FOJVGWGNDPXZRD-IRXDYDNUSA-N 2 2 276.424 3.014 20 0 CGADLP CCOCCC1(C[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000290191893 371929003 /nfs/dbraw/zinc/92/90/03/371929003.db2.gz CGFUIXJSBYHNKM-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nc(C2CC2)cs1 ZINC000290304168 371957374 /nfs/dbraw/zinc/95/73/74/371957374.db2.gz IEFGBVQAWSWWIY-UHFFFAOYSA-N 2 2 287.432 3.446 20 0 CGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000423100539 371963805 /nfs/dbraw/zinc/96/38/05/371963805.db2.gz MXUMIYVVAJIRSY-NSHDSACASA-N 2 2 280.824 3.315 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423109706 371971758 /nfs/dbraw/zinc/97/17/58/371971758.db2.gz OAJGPJPLZDWKOZ-BBWFWOEESA-N 2 2 288.435 3.267 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000290373790 371974722 /nfs/dbraw/zinc/97/47/22/371974722.db2.gz NODJSBKSPZNBLW-OAHLLOKOSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423143898 371988529 /nfs/dbraw/zinc/98/85/29/371988529.db2.gz FKQVVBFAXZYRGC-PXAZEXFGSA-N 2 2 276.399 3.323 20 0 CGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423156507 371994472 /nfs/dbraw/zinc/99/44/72/371994472.db2.gz SQXFYGUALHOCAN-BHYGNILZSA-N 2 2 298.434 3.047 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C ZINC000423169258 372000116 /nfs/dbraw/zinc/00/01/16/372000116.db2.gz ISGXHGOVHFIIOG-PKOBYXMFSA-N 2 2 295.430 3.281 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423072149 371947649 /nfs/dbraw/zinc/94/76/49/371947649.db2.gz GUZCQEUQLLASJC-QAPCUYQASA-N 2 2 296.414 3.278 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000155864895 371950487 /nfs/dbraw/zinc/95/04/87/371950487.db2.gz MHHOFLMZLRKGTM-HUUCEWRRSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000155864895 371950491 /nfs/dbraw/zinc/95/04/91/371950491.db2.gz MHHOFLMZLRKGTM-HUUCEWRRSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Cl ZINC000290568550 372018900 /nfs/dbraw/zinc/01/89/00/372018900.db2.gz SYGAGHFTVBQKSH-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Cl ZINC000290568550 372018904 /nfs/dbraw/zinc/01/89/04/372018904.db2.gz SYGAGHFTVBQKSH-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1sccc1Cl ZINC000290568550 372018906 /nfs/dbraw/zinc/01/89/06/372018906.db2.gz SYGAGHFTVBQKSH-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1sccc1Cl ZINC000290568550 372018908 /nfs/dbraw/zinc/01/89/08/372018908.db2.gz SYGAGHFTVBQKSH-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423293835 372048757 /nfs/dbraw/zinc/04/87/57/372048757.db2.gz AVNSNEFVSWQFBJ-YGRLFVJLSA-N 2 2 268.351 3.059 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423363652 372055497 /nfs/dbraw/zinc/05/54/97/372055497.db2.gz ARZAHUKHZRDTHG-CLWVCHIJSA-N 2 2 258.409 3.273 20 0 CGADLP COc1ccc(OC)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423184476 372012505 /nfs/dbraw/zinc/01/25/05/372012505.db2.gz TZPVPNXWICRFRZ-ZDUSSCGKSA-N 2 2 292.423 3.016 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(F)ccc1F ZINC000423184457 372012706 /nfs/dbraw/zinc/01/27/06/372012706.db2.gz TWWMKJSWGJLVDS-LLVKDONJSA-N 2 2 268.351 3.277 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423185950 372013436 /nfs/dbraw/zinc/01/34/36/372013436.db2.gz JQPSBMPYNMXQEA-LSDHHAIUSA-N 2 2 264.800 3.133 20 0 CGADLP COc1ccc2oc(C[N@H+](C)CCCn3cc[nH+]c3)cc2c1 ZINC000290551680 372014327 /nfs/dbraw/zinc/01/43/27/372014327.db2.gz RVPWTBBJLZDAQP-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP COc1ccc2oc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2c1 ZINC000290551680 372014333 /nfs/dbraw/zinc/01/43/33/372014333.db2.gz RVPWTBBJLZDAQP-UHFFFAOYSA-N 2 2 299.374 3.160 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccsc2S1 ZINC000423561060 372071822 /nfs/dbraw/zinc/07/18/22/372071822.db2.gz POWXQFGWOJEFCW-DMDPSCGWSA-N 2 2 282.478 3.405 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672485 541867633 /nfs/dbraw/zinc/86/76/33/541867633.db2.gz FFMOGQDIGBVQJA-WBVHZDCISA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672485 541867636 /nfs/dbraw/zinc/86/76/36/541867636.db2.gz FFMOGQDIGBVQJA-WBVHZDCISA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671913 541867971 /nfs/dbraw/zinc/86/79/71/541867971.db2.gz NWYPHNMAYHBCIV-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671913 541867974 /nfs/dbraw/zinc/86/79/74/541867974.db2.gz NWYPHNMAYHBCIV-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159323918 372131366 /nfs/dbraw/zinc/13/13/66/372131366.db2.gz PHHYKFIMKVNLRB-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159323918 372131371 /nfs/dbraw/zinc/13/13/71/372131371.db2.gz PHHYKFIMKVNLRB-RNCFNFMXSA-N 2 2 290.304 3.014 20 0 CGADLP CC(C)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCCO1 ZINC000292991239 372270984 /nfs/dbraw/zinc/27/09/84/372270984.db2.gz CDJFVXZUVJWIPW-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCCO1 ZINC000292991239 372270990 /nfs/dbraw/zinc/27/09/90/372270990.db2.gz CDJFVXZUVJWIPW-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000161653603 372343466 /nfs/dbraw/zinc/34/34/66/372343466.db2.gz DSPJJCNFFZADSC-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1Cl ZINC000344341246 217158973 /nfs/dbraw/zinc/15/89/73/217158973.db2.gz BRYJGKWSEYVMCL-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1Cl ZINC000344341246 217158974 /nfs/dbraw/zinc/15/89/74/217158974.db2.gz BRYJGKWSEYVMCL-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)n1 ZINC000162861339 372429520 /nfs/dbraw/zinc/42/95/20/372429520.db2.gz TWMPSQFCGMDVNJ-ZDUSSCGKSA-N 2 2 299.422 3.031 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293812884 372490441 /nfs/dbraw/zinc/49/04/41/372490441.db2.gz VRHJCAZXPFKSJO-AWEZNQCLSA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000432237922 372550459 /nfs/dbraw/zinc/55/04/59/372550459.db2.gz AHIOZKMEJDXTET-GJEMEMOUSA-N 2 2 294.483 3.185 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2CC(OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000432237922 372550462 /nfs/dbraw/zinc/55/04/62/372550462.db2.gz AHIOZKMEJDXTET-GJEMEMOUSA-N 2 2 294.483 3.185 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+](C)CCCOC)c1ccc(C)cc1 ZINC000166723738 372580981 /nfs/dbraw/zinc/58/09/81/372580981.db2.gz DXWUXRNWABKAFU-QGZVFWFLSA-N 2 2 278.440 3.004 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCCOC)c1ccc(C)cc1 ZINC000166723738 372580989 /nfs/dbraw/zinc/58/09/89/372580989.db2.gz DXWUXRNWABKAFU-QGZVFWFLSA-N 2 2 278.440 3.004 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000168575832 372613615 /nfs/dbraw/zinc/61/36/15/372613615.db2.gz UYBJOGDRNFCHFK-XJKSGUPXSA-N 2 2 260.425 3.339 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)C ZINC000167871550 372605141 /nfs/dbraw/zinc/60/51/41/372605141.db2.gz ITFPIQCIKRSVLW-DOTOQJQBSA-N 2 2 292.467 3.376 20 0 CGADLP c1ccc(N2CCC([NH2+]CC3=CCCCC3)CC2)[nH+]c1 ZINC000294671234 372666412 /nfs/dbraw/zinc/66/64/12/372666412.db2.gz AOVDFUNUTQCPGP-UHFFFAOYSA-N 2 2 271.408 3.140 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344527097 217221306 /nfs/dbraw/zinc/22/13/06/217221306.db2.gz PIBYDIFJXDMPMP-CVEARBPZSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434786700 372710955 /nfs/dbraw/zinc/71/09/55/372710955.db2.gz PIQDFYRFQKPTQN-KRWDZBQOSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434786700 372710959 /nfs/dbraw/zinc/71/09/59/372710959.db2.gz PIQDFYRFQKPTQN-KRWDZBQOSA-N 2 2 272.436 3.410 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000344694109 217277605 /nfs/dbraw/zinc/27/76/05/217277605.db2.gz ATEMRSISOPUCQG-JBXOJTMHSA-N 2 2 290.476 3.117 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000438184212 372906254 /nfs/dbraw/zinc/90/62/54/372906254.db2.gz ARZQXXKPCHHBEJ-HZPDHXFCSA-N 2 2 290.451 3.132 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)C(C)C)n2c1 ZINC000438369963 372944473 /nfs/dbraw/zinc/94/44/73/372944473.db2.gz AODUSUWKFYJYHK-UHFFFAOYSA-N 2 2 259.397 3.415 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000344746346 217297207 /nfs/dbraw/zinc/29/72/07/217297207.db2.gz MLDSWNSDZKFSSH-HNNXBMFYSA-N 2 2 296.499 3.434 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789779 373081699 /nfs/dbraw/zinc/08/16/99/373081699.db2.gz KSSGDMXRLXKIEQ-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789779 373081704 /nfs/dbraw/zinc/08/17/04/373081704.db2.gz KSSGDMXRLXKIEQ-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1F ZINC000173958822 373222996 /nfs/dbraw/zinc/22/29/96/373222996.db2.gz TWZOTWZYHGDNBC-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(F)c1F ZINC000173958822 373223004 /nfs/dbraw/zinc/22/30/04/373223004.db2.gz TWZOTWZYHGDNBC-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1F ZINC000173958822 373223007 /nfs/dbraw/zinc/22/30/07/373223007.db2.gz TWZOTWZYHGDNBC-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(F)c1F ZINC000173958822 373223012 /nfs/dbraw/zinc/22/30/12/373223012.db2.gz TWZOTWZYHGDNBC-CQSZACIVSA-N 2 2 282.378 3.271 20 0 CGADLP CCC1([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000296612018 373194756 /nfs/dbraw/zinc/19/47/56/373194756.db2.gz WKHOZVCZQYPDKO-CYBMUJFWSA-N 2 2 255.365 3.466 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc2C1 ZINC000297564038 373273614 /nfs/dbraw/zinc/27/36/14/373273614.db2.gz CLDIUHYQDWFGBU-GOSISDBHSA-N 2 2 297.446 3.232 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc2C1 ZINC000297564038 373273621 /nfs/dbraw/zinc/27/36/21/373273621.db2.gz CLDIUHYQDWFGBU-GOSISDBHSA-N 2 2 297.446 3.232 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000298541986 373351509 /nfs/dbraw/zinc/35/15/09/373351509.db2.gz SZPGDPMYWQGEJC-UHFFFAOYSA-N 2 2 297.446 3.318 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000298541986 373351517 /nfs/dbraw/zinc/35/15/17/373351517.db2.gz SZPGDPMYWQGEJC-UHFFFAOYSA-N 2 2 297.446 3.318 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000448031385 373541529 /nfs/dbraw/zinc/54/15/29/373541529.db2.gz UPJAFGMQOIPXHS-KGLIPLIRSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000448031385 373541536 /nfs/dbraw/zinc/54/15/36/373541536.db2.gz UPJAFGMQOIPXHS-KGLIPLIRSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000448057939 373543041 /nfs/dbraw/zinc/54/30/41/373543041.db2.gz GYEQNIRYXONNKG-HNNXBMFYSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000448057939 373543048 /nfs/dbraw/zinc/54/30/48/373543048.db2.gz GYEQNIRYXONNKG-HNNXBMFYSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000176277581 373576586 /nfs/dbraw/zinc/57/65/86/373576586.db2.gz ICJAACZJYBADRO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000176277581 373576591 /nfs/dbraw/zinc/57/65/91/373576591.db2.gz ICJAACZJYBADRO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000176277581 373576596 /nfs/dbraw/zinc/57/65/96/373576596.db2.gz ICJAACZJYBADRO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000176277581 373576600 /nfs/dbraw/zinc/57/66/00/373576600.db2.gz ICJAACZJYBADRO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc[nH+]1 ZINC000301246499 373710338 /nfs/dbraw/zinc/71/03/38/373710338.db2.gz OILRMPANQCMOHE-CQSZACIVSA-N 2 2 286.379 3.017 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657760 220230587 /nfs/dbraw/zinc/23/05/87/220230587.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657760 220230590 /nfs/dbraw/zinc/23/05/90/220230590.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657760 220230592 /nfs/dbraw/zinc/23/05/92/220230592.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000353657760 220230595 /nfs/dbraw/zinc/23/05/95/220230595.db2.gz HICDXNPFMJNYBP-SJLPKXTDSA-N 3 2 289.467 3.127 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cn2)c[nH+]1 ZINC000177353939 373677177 /nfs/dbraw/zinc/67/71/77/373677177.db2.gz MHMPYJIFDZNTHY-UHFFFAOYSA-N 2 2 282.391 3.033 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC4(CCCC4)C3)cn2)c[nH+]1 ZINC000177353939 373677189 /nfs/dbraw/zinc/67/71/89/373677189.db2.gz MHMPYJIFDZNTHY-UHFFFAOYSA-N 2 2 282.391 3.033 20 0 CGADLP CC/C=C\C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449456632 373740218 /nfs/dbraw/zinc/74/02/18/373740218.db2.gz MQDCBNBAWOHZHQ-JOTWQWQBSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C\C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449456632 373740224 /nfs/dbraw/zinc/74/02/24/373740224.db2.gz MQDCBNBAWOHZHQ-JOTWQWQBSA-N 2 2 258.409 3.378 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[N@@H+]1C ZINC000178701968 373805937 /nfs/dbraw/zinc/80/59/37/373805937.db2.gz MNSSOGDGHRWTCO-MNEFBYGVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[N@H+]1C ZINC000178701968 373805941 /nfs/dbraw/zinc/80/59/41/373805941.db2.gz MNSSOGDGHRWTCO-MNEFBYGVSA-N 2 2 295.430 3.243 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000449491095 373780990 /nfs/dbraw/zinc/78/09/90/373780990.db2.gz FGGFKIAUCXSAMW-QZTJIDSGSA-N 2 2 290.451 3.363 20 0 CGADLP Cc1cccc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)[nH+]1 ZINC000301701266 373799175 /nfs/dbraw/zinc/79/91/75/373799175.db2.gz QBESZLXZHCQEGI-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000302665685 373920492 /nfs/dbraw/zinc/92/04/92/373920492.db2.gz KCVHLJKXOWIUHR-WDEREUQCSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000302665685 373920500 /nfs/dbraw/zinc/92/05/00/373920500.db2.gz KCVHLJKXOWIUHR-WDEREUQCSA-N 2 2 266.351 3.023 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000180180852 373973898 /nfs/dbraw/zinc/97/38/98/373973898.db2.gz GJEHTUCDRWDLIF-UHFFFAOYSA-N 2 2 290.373 3.493 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467189 374151406 /nfs/dbraw/zinc/15/14/06/374151406.db2.gz KQYPAYKBCSAOHP-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467189 374151414 /nfs/dbraw/zinc/15/14/14/374151414.db2.gz KQYPAYKBCSAOHP-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467189 374151420 /nfs/dbraw/zinc/15/14/20/374151420.db2.gz KQYPAYKBCSAOHP-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000450467189 374151424 /nfs/dbraw/zinc/15/14/24/374151424.db2.gz KQYPAYKBCSAOHP-KSSFIOAISA-N 2 2 288.435 3.194 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309726629 374192241 /nfs/dbraw/zinc/19/22/41/374192241.db2.gz NTQHUZCGSRVHCP-OHFALNGGSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309726629 374192250 /nfs/dbraw/zinc/19/22/50/374192250.db2.gz NTQHUZCGSRVHCP-OHFALNGGSA-N 2 2 258.409 3.038 20 0 CGADLP CCc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309809466 374199291 /nfs/dbraw/zinc/19/92/91/374199291.db2.gz MFAIBOHLBWIXJC-MRXNPFEDSA-N 2 2 296.418 3.034 20 0 CGADLP CCc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309809466 374199295 /nfs/dbraw/zinc/19/92/95/374199295.db2.gz MFAIBOHLBWIXJC-MRXNPFEDSA-N 2 2 296.418 3.034 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961260 374204343 /nfs/dbraw/zinc/20/43/43/374204343.db2.gz YZETWQUSIOFTRW-JKIFEVAISA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961260 374204349 /nfs/dbraw/zinc/20/43/49/374204349.db2.gz YZETWQUSIOFTRW-JKIFEVAISA-N 2 2 258.409 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1 ZINC000182078006 374214930 /nfs/dbraw/zinc/21/49/30/374214930.db2.gz HHHVVEPXFGFTIT-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000311495680 374245437 /nfs/dbraw/zinc/24/54/37/374245437.db2.gz OEUAYJQPHSXYHP-UYSNPLJNSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000311495680 374245447 /nfs/dbraw/zinc/24/54/47/374245447.db2.gz OEUAYJQPHSXYHP-UYSNPLJNSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000182797853 374328026 /nfs/dbraw/zinc/32/80/26/374328026.db2.gz SUUXHVIZKFWZQA-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000182797853 374328029 /nfs/dbraw/zinc/32/80/29/374328029.db2.gz SUUXHVIZKFWZQA-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP c1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000317292136 374337643 /nfs/dbraw/zinc/33/76/43/374337643.db2.gz QORXYPNLUFTWIL-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000317292136 374337648 /nfs/dbraw/zinc/33/76/48/374337648.db2.gz QORXYPNLUFTWIL-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320354 541957345 /nfs/dbraw/zinc/95/73/45/541957345.db2.gz OTKPOQLHMUBZQH-GMTAPVOTSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1nccs1)[NH+]1CCCCC1 ZINC000184513527 374534531 /nfs/dbraw/zinc/53/45/31/374534531.db2.gz IDWDFDDANSUNCR-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H]1c1ccccc1 ZINC000464073670 374862470 /nfs/dbraw/zinc/86/24/70/374862470.db2.gz LIWQHUKIKQGUTE-KVDVXYDOSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H]1c1ccccc1 ZINC000464073670 374862474 /nfs/dbraw/zinc/86/24/74/374862474.db2.gz LIWQHUKIKQGUTE-KVDVXYDOSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186925218 374939929 /nfs/dbraw/zinc/93/99/29/374939929.db2.gz NACVBHUPVZWDNT-OKDNKWQNSA-N 2 2 297.402 3.090 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000335059753 375098885 /nfs/dbraw/zinc/09/88/85/375098885.db2.gz OLTIRNWQECKMGL-YUMQZZPRSA-N 2 2 265.209 3.024 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187860972 375107902 /nfs/dbraw/zinc/10/79/02/375107902.db2.gz BDGNTGJCZQEWEC-PBHICJAKSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583396 375047789 /nfs/dbraw/zinc/04/77/89/375047789.db2.gz QKAWMYSUXDSDFK-ZETOZRRWSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000187583396 375047802 /nfs/dbraw/zinc/04/78/02/375047802.db2.gz QKAWMYSUXDSDFK-ZETOZRRWSA-N 2 2 284.806 3.297 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000474924126 375128829 /nfs/dbraw/zinc/12/88/29/375128829.db2.gz HTUOZBLINCLSQT-HRCADAONSA-N 2 2 275.440 3.392 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000188450169 375216275 /nfs/dbraw/zinc/21/62/75/375216275.db2.gz QQHHGLRNIAMZLH-NVXWUHKLSA-N 2 2 258.409 3.205 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000188450169 375216280 /nfs/dbraw/zinc/21/62/80/375216280.db2.gz QQHHGLRNIAMZLH-NVXWUHKLSA-N 2 2 258.409 3.205 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278680 296227257 /nfs/dbraw/zinc/22/72/57/296227257.db2.gz LNPWXNQZYMTHMV-GARJFASQSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278680 296227260 /nfs/dbraw/zinc/22/72/60/296227260.db2.gz LNPWXNQZYMTHMV-GARJFASQSA-N 2 2 285.218 3.206 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000188983197 375304407 /nfs/dbraw/zinc/30/44/07/375304407.db2.gz PAKYESOJRWIZDK-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336004856 375611910 /nfs/dbraw/zinc/61/19/10/375611910.db2.gz JSVOPTVUIFJDOQ-GFCCVEGCSA-N 2 2 296.201 3.364 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336004856 375611912 /nfs/dbraw/zinc/61/19/12/375611912.db2.gz JSVOPTVUIFJDOQ-GFCCVEGCSA-N 2 2 296.201 3.364 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000500116019 375634792 /nfs/dbraw/zinc/63/47/92/375634792.db2.gz BAYZEWMQPTVBEK-GVDBMIGSSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000500116019 375634799 /nfs/dbraw/zinc/63/47/99/375634799.db2.gz BAYZEWMQPTVBEK-GVDBMIGSSA-N 2 2 296.499 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[N@@H+]1C1CC1 ZINC000121530699 542019216 /nfs/dbraw/zinc/01/92/16/542019216.db2.gz GJWHXRRGNAXPBJ-ILMHXZGMSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[N@H+]1C1CC1 ZINC000121530699 542019220 /nfs/dbraw/zinc/01/92/20/542019220.db2.gz GJWHXRRGNAXPBJ-ILMHXZGMSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502292018 375644459 /nfs/dbraw/zinc/64/44/59/375644459.db2.gz WGRVGYZMZYTNRP-DMRKSPOLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502292018 375644464 /nfs/dbraw/zinc/64/44/64/375644464.db2.gz WGRVGYZMZYTNRP-DMRKSPOLSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1c[nH+]ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000192505052 375759953 /nfs/dbraw/zinc/75/99/53/375759953.db2.gz VJUGPSSEJGXQKK-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000336706444 375911255 /nfs/dbraw/zinc/91/12/55/375911255.db2.gz IODREOFKGKOEEJ-WMLDXEAASA-N 2 2 258.409 3.182 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000336706444 375911262 /nfs/dbraw/zinc/91/12/62/375911262.db2.gz IODREOFKGKOEEJ-WMLDXEAASA-N 2 2 258.409 3.182 20 0 CGADLP Cc1cc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655375 375895816 /nfs/dbraw/zinc/89/58/16/375895816.db2.gz JLZBYRHNYQBJCO-RDJZCZTQSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655375 375895826 /nfs/dbraw/zinc/89/58/26/375895826.db2.gz JLZBYRHNYQBJCO-RDJZCZTQSA-N 2 2 296.418 3.108 20 0 CGADLP Clc1ccsc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000194409955 376000930 /nfs/dbraw/zinc/00/09/30/376000930.db2.gz HEXOYTANHDQLKY-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1ccsc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000194409955 376000935 /nfs/dbraw/zinc/00/09/35/376000935.db2.gz HEXOYTANHDQLKY-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534972435 376009553 /nfs/dbraw/zinc/00/95/53/376009553.db2.gz PHONNHDRSOUDTO-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534972435 376009559 /nfs/dbraw/zinc/00/95/59/376009559.db2.gz PHONNHDRSOUDTO-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1[nH+]ccn1CCCCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000336849665 376011033 /nfs/dbraw/zinc/01/10/33/376011033.db2.gz SLRDQAWOLXRZGL-ZIAGYGMSSA-N 2 2 286.423 3.239 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C2CC2)ccc1F ZINC000536837715 376134983 /nfs/dbraw/zinc/13/49/83/376134983.db2.gz HISPFFFRLVVPRE-OAUYIBNBSA-N 2 2 276.399 3.125 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C2CC2)ccc1F ZINC000536837715 376134993 /nfs/dbraw/zinc/13/49/93/376134993.db2.gz HISPFFFRLVVPRE-OAUYIBNBSA-N 2 2 276.399 3.125 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000536948862 376142997 /nfs/dbraw/zinc/14/29/97/376142997.db2.gz DGSRLIPTBBXVKH-MRXNPFEDSA-N 2 2 272.396 3.045 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221686701 376219015 /nfs/dbraw/zinc/21/90/15/376219015.db2.gz BOQWNUIUWHKKME-INMHGKMJSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221686701 376219020 /nfs/dbraw/zinc/21/90/20/376219020.db2.gz BOQWNUIUWHKKME-INMHGKMJSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[N@@H+]1C ZINC000221837346 376221809 /nfs/dbraw/zinc/22/18/09/376221809.db2.gz LFHJOBUJWXDEGZ-QGPMSJSTSA-N 2 2 284.403 3.441 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[N@H+]1C ZINC000221837346 376221812 /nfs/dbraw/zinc/22/18/12/376221812.db2.gz LFHJOBUJWXDEGZ-QGPMSJSTSA-N 2 2 284.403 3.441 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)[nH+]c1 ZINC000337987409 376250309 /nfs/dbraw/zinc/25/03/09/376250309.db2.gz KJFOKJOGFNIMJC-SJORKVTESA-N 2 2 285.435 3.219 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000338368357 376352462 /nfs/dbraw/zinc/35/24/62/376352462.db2.gz ZWUKDXBAOFQIOU-ZDUSSCGKSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000338368357 376352474 /nfs/dbraw/zinc/35/24/74/376352474.db2.gz ZWUKDXBAOFQIOU-ZDUSSCGKSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000338368354 376352496 /nfs/dbraw/zinc/35/24/96/376352496.db2.gz ZWUKDXBAOFQIOU-CYBMUJFWSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000338368354 376352505 /nfs/dbraw/zinc/35/25/05/376352505.db2.gz ZWUKDXBAOFQIOU-CYBMUJFWSA-N 2 2 296.842 3.265 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226504855 376361899 /nfs/dbraw/zinc/36/18/99/376361899.db2.gz HLAVRBHMTHEQFX-MSOLQXFVSA-N 2 2 270.420 3.349 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226504855 376361905 /nfs/dbraw/zinc/36/19/05/376361905.db2.gz HLAVRBHMTHEQFX-MSOLQXFVSA-N 2 2 270.420 3.349 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C1 ZINC000540184283 376364862 /nfs/dbraw/zinc/36/48/62/376364862.db2.gz YPFOLTGFAMFJCQ-OIISXLGYSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)C1 ZINC000540184283 376364867 /nfs/dbraw/zinc/36/48/67/376364867.db2.gz YPFOLTGFAMFJCQ-OIISXLGYSA-N 2 2 272.436 3.458 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000540317323 376370045 /nfs/dbraw/zinc/37/00/45/376370045.db2.gz MILHHXJQDSWFGY-KDOFPFPSSA-N 2 2 288.435 3.078 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000540317323 376370050 /nfs/dbraw/zinc/37/00/50/376370050.db2.gz MILHHXJQDSWFGY-KDOFPFPSSA-N 2 2 288.435 3.078 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000227284297 376386424 /nfs/dbraw/zinc/38/64/24/376386424.db2.gz MVEOIQGVYMMDBG-UHFFFAOYSA-N 2 2 278.415 3.487 20 0 CGADLP Clc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(Cl)c1 ZINC000228411084 376436453 /nfs/dbraw/zinc/43/64/53/376436453.db2.gz HIHLGQTVJBSCLU-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000542162901 376512206 /nfs/dbraw/zinc/51/22/06/376512206.db2.gz ORRCUHJLMXWNOD-KKUMJFAQSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000542162901 376512217 /nfs/dbraw/zinc/51/22/17/376512217.db2.gz ORRCUHJLMXWNOD-KKUMJFAQSA-N 2 2 250.430 3.336 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000542166120 376515159 /nfs/dbraw/zinc/51/51/59/376515159.db2.gz DYQNWHQZSPGFPJ-IJEWVQPXSA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000542166120 376515170 /nfs/dbraw/zinc/51/51/70/376515170.db2.gz DYQNWHQZSPGFPJ-IJEWVQPXSA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235189466 376633650 /nfs/dbraw/zinc/63/36/50/376633650.db2.gz UYKZAUQRXNCKSG-MFKMUULPSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)S1 ZINC000543393680 376635711 /nfs/dbraw/zinc/63/57/11/376635711.db2.gz IVMDSITXZVCZBX-TXEJJXNPSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)S1 ZINC000543393680 376635714 /nfs/dbraw/zinc/63/57/14/376635714.db2.gz IVMDSITXZVCZBX-TXEJJXNPSA-N 2 2 293.461 3.260 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[NH+]2CCCCC2)C1 ZINC000235376648 376639131 /nfs/dbraw/zinc/63/91/31/376639131.db2.gz BYKUUMVTAJFVBY-HOCLYGCPSA-N 2 2 250.430 3.054 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]cn3C)oc21 ZINC000236992612 376722606 /nfs/dbraw/zinc/72/26/06/376722606.db2.gz KEOOSIPLNBAWND-LBPRGKRZSA-N 2 2 299.374 3.416 20 0 CGADLP C[C@H]([NH2+]C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151693454 542103046 /nfs/dbraw/zinc/10/30/46/542103046.db2.gz NTPYVHAYXGBMON-ZDUSSCGKSA-N 2 2 255.365 3.466 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000157755795 542139211 /nfs/dbraw/zinc/13/92/11/542139211.db2.gz LQVZSKNPQFMPPE-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000157755795 542139214 /nfs/dbraw/zinc/13/92/14/542139214.db2.gz LQVZSKNPQFMPPE-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245605511 376866626 /nfs/dbraw/zinc/86/66/26/376866626.db2.gz JZJLRDKLZZZLGO-ZIAGYGMSSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000245605511 376866636 /nfs/dbraw/zinc/86/66/36/376866636.db2.gz JZJLRDKLZZZLGO-ZIAGYGMSSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@@H+]2C)s1 ZINC000245605511 376866643 /nfs/dbraw/zinc/86/66/43/376866643.db2.gz JZJLRDKLZZZLGO-ZIAGYGMSSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH+](C)CC[C@H]2CCC[N@H+]2C)s1 ZINC000245605511 376866651 /nfs/dbraw/zinc/86/66/51/376866651.db2.gz JZJLRDKLZZZLGO-ZIAGYGMSSA-N 2 2 295.496 3.491 20 0 CGADLP Cc1cccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000340109145 376921649 /nfs/dbraw/zinc/92/16/49/376921649.db2.gz QEJIGPAYCMXYQS-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246447518 377033018 /nfs/dbraw/zinc/03/30/18/377033018.db2.gz PBEBMOIJDXRFKH-KGLIPLIRSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246447518 377033026 /nfs/dbraw/zinc/03/30/26/377033026.db2.gz PBEBMOIJDXRFKH-KGLIPLIRSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000246277828 377003779 /nfs/dbraw/zinc/00/37/79/377003779.db2.gz BGBQZJIPPSYNKH-FHLIZLRMSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000558973303 377057881 /nfs/dbraw/zinc/05/78/81/377057881.db2.gz HPSDNDJUVUJTKZ-ZBFHGGJFSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000558973303 377057886 /nfs/dbraw/zinc/05/78/86/377057886.db2.gz HPSDNDJUVUJTKZ-ZBFHGGJFSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340527445 377124587 /nfs/dbraw/zinc/12/45/87/377124587.db2.gz SZEFLMMMZSHZNU-APHBMKBZSA-N 2 2 273.355 3.414 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000340475522 377088629 /nfs/dbraw/zinc/08/86/29/377088629.db2.gz SEMGZHCITFJXNW-YDHLFZDLSA-N 2 2 279.428 3.002 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000560246837 377132708 /nfs/dbraw/zinc/13/27/08/377132708.db2.gz VFVLFUOJRBWWCK-HRSCSKTISA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000560246837 377132712 /nfs/dbraw/zinc/13/27/12/377132712.db2.gz VFVLFUOJRBWWCK-HRSCSKTISA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594136 377162403 /nfs/dbraw/zinc/16/24/03/377162403.db2.gz LVKKSZCSEZGDME-HOCLYGCPSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594136 377162412 /nfs/dbraw/zinc/16/24/12/377162412.db2.gz LVKKSZCSEZGDME-HOCLYGCPSA-N 2 2 276.424 3.321 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000247981463 377252073 /nfs/dbraw/zinc/25/20/73/377252073.db2.gz MTFMGSAEVHOOFY-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000247981463 377252084 /nfs/dbraw/zinc/25/20/84/377252084.db2.gz MTFMGSAEVHOOFY-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)[NH+](C)C)cc1 ZINC000562022489 377266577 /nfs/dbraw/zinc/26/65/77/377266577.db2.gz OZIXCAQNBKKCEL-BZSNNMDCSA-N 2 2 272.436 3.376 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000248534804 377337758 /nfs/dbraw/zinc/33/77/58/377337758.db2.gz WNQKTZAPXNKFAD-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000248534804 377337768 /nfs/dbraw/zinc/33/77/68/377337768.db2.gz WNQKTZAPXNKFAD-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP C[C@@H]1CC[N@H+](CCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248225945 377281395 /nfs/dbraw/zinc/28/13/95/377281395.db2.gz PLOQJOGJZPEPQQ-SJLPKXTDSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248225945 377281403 /nfs/dbraw/zinc/28/14/03/377281403.db2.gz PLOQJOGJZPEPQQ-SJLPKXTDSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCSC1)[C@H](c1ccccc1)[NH+](C)C ZINC000248651688 377375190 /nfs/dbraw/zinc/37/51/90/377375190.db2.gz XRGGNFNCRGNDBD-CWRNSKLLSA-N 2 2 278.465 3.163 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1C ZINC000341081104 377388605 /nfs/dbraw/zinc/38/86/05/377388605.db2.gz ISPKAZIHIQWRRP-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000562756904 377357449 /nfs/dbraw/zinc/35/74/49/377357449.db2.gz KXVAMGXMBODLML-JQFCIGGWSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000562756904 377357454 /nfs/dbraw/zinc/35/74/54/377357454.db2.gz KXVAMGXMBODLML-JQFCIGGWSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@@H+]1C1CC1 ZINC000249060174 377452597 /nfs/dbraw/zinc/45/25/97/377452597.db2.gz HOLWARICXBOIDU-QPSCCSFWSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@H+]1C1CC1 ZINC000249060174 377452604 /nfs/dbraw/zinc/45/26/04/377452604.db2.gz HOLWARICXBOIDU-QPSCCSFWSA-N 2 2 250.430 3.170 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248861172 377414996 /nfs/dbraw/zinc/41/49/96/377414996.db2.gz AJZBKXJEDDTTGS-DOTOQJQBSA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000248861172 377415006 /nfs/dbraw/zinc/41/50/06/377415006.db2.gz AJZBKXJEDDTTGS-DOTOQJQBSA-N 2 2 258.409 3.378 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCCCCC2)CC1 ZINC000341259579 377471623 /nfs/dbraw/zinc/47/16/23/377471623.db2.gz CFKBCFBIFMAGKO-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249182018 377475043 /nfs/dbraw/zinc/47/50/43/377475043.db2.gz IRZMHFAJMRLMAZ-KZNAEPCWSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249182018 377475048 /nfs/dbraw/zinc/47/50/48/377475048.db2.gz IRZMHFAJMRLMAZ-KZNAEPCWSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000249307747 377490926 /nfs/dbraw/zinc/49/09/26/377490926.db2.gz UKTKBJIUXXLDLV-DZGCQCFKSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000249307747 377490934 /nfs/dbraw/zinc/49/09/34/377490934.db2.gz UKTKBJIUXXLDLV-DZGCQCFKSA-N 2 2 298.377 3.041 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000189149448 249058942 /nfs/dbraw/zinc/05/89/42/249058942.db2.gz NQTHLENDQXBKAY-RCCFBDPRSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000189149448 249058945 /nfs/dbraw/zinc/05/89/45/249058945.db2.gz NQTHLENDQXBKAY-RCCFBDPRSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc2ccccc21 ZINC000313257708 249089507 /nfs/dbraw/zinc/08/95/07/249089507.db2.gz VNQSZIFCTNQDPZ-AWEZNQCLSA-N 2 2 279.387 3.467 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000313250557 249089962 /nfs/dbraw/zinc/08/99/62/249089962.db2.gz JPKWBGCPVTZZTG-HNNXBMFYSA-N 2 2 277.799 3.357 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422908405 249127539 /nfs/dbraw/zinc/12/75/39/249127539.db2.gz YLELHQKIOVGURA-BXUZGUMPSA-N 2 2 276.355 3.110 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549606 249156107 /nfs/dbraw/zinc/15/61/07/249156107.db2.gz FDUHIVUSXLPLDN-QGZVFWFLSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549606 249156108 /nfs/dbraw/zinc/15/61/08/249156108.db2.gz FDUHIVUSXLPLDN-QGZVFWFLSA-N 2 2 281.403 3.287 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CCSCC1 ZINC000563444517 321998965 /nfs/dbraw/zinc/99/89/65/321998965.db2.gz NSELTQYFTDWYHG-LSDHHAIUSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858311 249246163 /nfs/dbraw/zinc/24/61/63/249246163.db2.gz BWUVQKGKOAWUFG-FZDIXFNVSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858311 249246165 /nfs/dbraw/zinc/24/61/65/249246165.db2.gz BWUVQKGKOAWUFG-FZDIXFNVSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251636278 377590222 /nfs/dbraw/zinc/59/02/22/377590222.db2.gz FRMQDMKKOYXUFR-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251636278 377590235 /nfs/dbraw/zinc/59/02/35/377590235.db2.gz FRMQDMKKOYXUFR-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000518185503 249276595 /nfs/dbraw/zinc/27/65/95/249276595.db2.gz OTBGPAJFQQCMJI-MRXNPFEDSA-N 2 2 296.817 3.363 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000518185503 249276597 /nfs/dbraw/zinc/27/65/97/249276597.db2.gz OTBGPAJFQQCMJI-MRXNPFEDSA-N 2 2 296.817 3.363 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000178310577 542196154 /nfs/dbraw/zinc/19/61/54/542196154.db2.gz IIVJLNFKIFWYPB-CQSZACIVSA-N 2 2 298.377 3.425 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)c1 ZINC000178311740 542196264 /nfs/dbraw/zinc/19/62/64/542196264.db2.gz HWBDRGJGJDKEIP-GOSISDBHSA-N 2 2 272.436 3.002 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1nccn1-c1ccccc1 ZINC000517356028 249264175 /nfs/dbraw/zinc/26/41/75/249264175.db2.gz AHHFLNBPSTYEPR-XIRDDKMYSA-N 2 2 298.434 3.183 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000518996314 249290591 /nfs/dbraw/zinc/29/05/91/249290591.db2.gz YJERHNKIELMBIT-GXTWGEPZSA-N 2 2 296.842 3.439 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000518996314 249290593 /nfs/dbraw/zinc/29/05/93/249290593.db2.gz YJERHNKIELMBIT-GXTWGEPZSA-N 2 2 296.842 3.439 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000252674360 377649086 /nfs/dbraw/zinc/64/90/86/377649086.db2.gz QNQCIIKGRFNPDT-CTASWTNQSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000252674360 377649092 /nfs/dbraw/zinc/64/90/92/377649092.db2.gz QNQCIIKGRFNPDT-CTASWTNQSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000574516303 377673124 /nfs/dbraw/zinc/67/31/24/377673124.db2.gz DIYQDLGPZFZCCH-GOEBONIOSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000574516303 377673129 /nfs/dbraw/zinc/67/31/29/377673129.db2.gz DIYQDLGPZFZCCH-GOEBONIOSA-N 2 2 278.440 3.311 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000575028082 377739344 /nfs/dbraw/zinc/73/93/44/377739344.db2.gz RERVSMQEZNSASP-SFHVURJKSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000575028082 377739355 /nfs/dbraw/zinc/73/93/55/377739355.db2.gz RERVSMQEZNSASP-SFHVURJKSA-N 2 2 298.434 3.283 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000342656398 377716603 /nfs/dbraw/zinc/71/66/03/377716603.db2.gz BSOYZRYVMJKCFS-FHLIZLRMSA-N 2 2 290.451 3.119 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735874 377763562 /nfs/dbraw/zinc/76/35/62/377763562.db2.gz NIOBRGBVYPKNGT-HUBLWGQQSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735874 377763577 /nfs/dbraw/zinc/76/35/77/377763577.db2.gz NIOBRGBVYPKNGT-HUBLWGQQSA-N 2 2 298.377 3.421 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000342747790 377772864 /nfs/dbraw/zinc/77/28/64/377772864.db2.gz WKEIQPFFYGGBCU-RCBQFDQVSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000342747790 377772869 /nfs/dbraw/zinc/77/28/69/377772869.db2.gz WKEIQPFFYGGBCU-RCBQFDQVSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000261555804 377815835 /nfs/dbraw/zinc/81/58/35/377815835.db2.gz QAOXHOIQABUQOD-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000261555804 377815838 /nfs/dbraw/zinc/81/58/38/377815838.db2.gz QAOXHOIQABUQOD-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261580022 377820748 /nfs/dbraw/zinc/82/07/48/377820748.db2.gz PXAAYMLHWHXRJV-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261580022 377820752 /nfs/dbraw/zinc/82/07/52/377820752.db2.gz PXAAYMLHWHXRJV-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])co2)cc1 ZINC000261929064 377868736 /nfs/dbraw/zinc/86/87/36/377868736.db2.gz JGJFBIIVQUXTJU-KRWDZBQOSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])co2)cc1 ZINC000261929064 377868747 /nfs/dbraw/zinc/86/87/47/377868747.db2.gz JGJFBIIVQUXTJU-KRWDZBQOSA-N 2 2 299.418 3.353 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000261944979 377870849 /nfs/dbraw/zinc/87/08/49/377870849.db2.gz NHALKVUIIGFLII-UHFFFAOYSA-N 2 2 266.816 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261944979 377870855 /nfs/dbraw/zinc/87/08/55/377870855.db2.gz NHALKVUIIGFLII-UHFFFAOYSA-N 2 2 266.816 3.086 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@H]1[NH3+] ZINC000261985345 377876544 /nfs/dbraw/zinc/87/65/44/377876544.db2.gz JSEORVGQAIPCMP-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@H]1[NH3+] ZINC000261985345 377876549 /nfs/dbraw/zinc/87/65/49/377876549.db2.gz JSEORVGQAIPCMP-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000261809007 377856927 /nfs/dbraw/zinc/85/69/27/377856927.db2.gz WQKIIUQUQHVXNJ-MRXNPFEDSA-N 2 2 293.480 3.362 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000261809007 377856932 /nfs/dbraw/zinc/85/69/32/377856932.db2.gz WQKIIUQUQHVXNJ-MRXNPFEDSA-N 2 2 293.480 3.362 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000261809006 377857219 /nfs/dbraw/zinc/85/72/19/377857219.db2.gz WQKIIUQUQHVXNJ-INIZCTEOSA-N 2 2 293.480 3.362 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000261809006 377857224 /nfs/dbraw/zinc/85/72/24/377857224.db2.gz WQKIIUQUQHVXNJ-INIZCTEOSA-N 2 2 293.480 3.362 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C2 ZINC000576037536 378008850 /nfs/dbraw/zinc/00/88/50/378008850.db2.gz KVEKLVGMAOUNIW-HXUWFJFHSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C2 ZINC000576037536 378008854 /nfs/dbraw/zinc/00/88/54/378008854.db2.gz KVEKLVGMAOUNIW-HXUWFJFHSA-N 2 2 298.474 3.352 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000343583294 378028364 /nfs/dbraw/zinc/02/83/64/378028364.db2.gz YIBMVWYVACXMEI-KBPBESRZSA-N 2 2 264.413 3.046 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000343574755 378025126 /nfs/dbraw/zinc/02/51/26/378025126.db2.gz OZVJHUDBQYLIPO-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000268791131 378112235 /nfs/dbraw/zinc/11/22/35/378112235.db2.gz DGNNUFWOCSNRGE-SMDDNHRTSA-N 2 2 291.395 3.237 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866336 378117636 /nfs/dbraw/zinc/11/76/36/378117636.db2.gz MUGFJFDNVBMEGP-XIKOKIGWSA-N 2 2 285.435 3.215 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866336 378117646 /nfs/dbraw/zinc/11/76/46/378117646.db2.gz MUGFJFDNVBMEGP-XIKOKIGWSA-N 2 2 285.435 3.215 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H](C)C2CCCC2)cc1 ZINC000578679198 378091564 /nfs/dbraw/zinc/09/15/64/378091564.db2.gz DXMYGYBFFCXXHO-RDTXWAMCSA-N 2 2 290.451 3.466 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000578680220 378091787 /nfs/dbraw/zinc/09/17/87/378091787.db2.gz FOPHJFCNEKBIDV-MSOLQXFVSA-N 2 2 272.436 3.248 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CCc3ccco3)n2c1 ZINC000269366634 378212152 /nfs/dbraw/zinc/21/21/52/378212152.db2.gz RGFAUZVQLOSQDG-CQSZACIVSA-N 2 2 283.375 3.347 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579496970 378167460 /nfs/dbraw/zinc/16/74/60/378167460.db2.gz XKKWABDWEBUQLK-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579496970 378167462 /nfs/dbraw/zinc/16/74/62/378167462.db2.gz XKKWABDWEBUQLK-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000581199270 378277787 /nfs/dbraw/zinc/27/77/87/378277787.db2.gz CQFKWPWZFQGWOQ-UHFFFAOYSA-N 2 2 290.304 3.027 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCC(C)CC1 ZINC000580097433 378225485 /nfs/dbraw/zinc/22/54/85/378225485.db2.gz MULUTMMOAIMXKS-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1C(C)(C)C ZINC000345301577 378248862 /nfs/dbraw/zinc/24/88/62/378248862.db2.gz ZZXDKOMWBIOWSG-KCQAQPDRSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1C(C)(C)C ZINC000345301577 378248863 /nfs/dbraw/zinc/24/88/63/378248863.db2.gz ZZXDKOMWBIOWSG-KCQAQPDRSA-N 2 2 292.471 3.080 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1C)Cc1c(F)cccc1F ZINC000269704252 378257160 /nfs/dbraw/zinc/25/71/60/378257160.db2.gz MXOSXELENJZMKF-UHFFFAOYSA-N 2 2 293.361 3.382 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1c(F)cccc1F ZINC000269704252 378257163 /nfs/dbraw/zinc/25/71/63/378257163.db2.gz MXOSXELENJZMKF-UHFFFAOYSA-N 2 2 293.361 3.382 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000270103410 378307309 /nfs/dbraw/zinc/30/73/09/378307309.db2.gz CAONGNMTVHHYOM-OAHLLOKOSA-N 2 2 269.392 3.219 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1CC1 ZINC000270103410 378307312 /nfs/dbraw/zinc/30/73/12/378307312.db2.gz CAONGNMTVHHYOM-OAHLLOKOSA-N 2 2 269.392 3.219 20 0 CGADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000582367886 378307531 /nfs/dbraw/zinc/30/75/31/378307531.db2.gz JTMCKGSLBONDTJ-ZBFHGGJFSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000582367886 378307535 /nfs/dbraw/zinc/30/75/35/378307535.db2.gz JTMCKGSLBONDTJ-ZBFHGGJFSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)(C)C1=CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000270374332 378341310 /nfs/dbraw/zinc/34/13/10/378341310.db2.gz NOQRBSZUOUBEPR-UHFFFAOYSA-N 2 2 296.418 3.446 20 0 CGADLP CC(C)(C)C1=CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000270374332 378341316 /nfs/dbraw/zinc/34/13/16/378341316.db2.gz NOQRBSZUOUBEPR-UHFFFAOYSA-N 2 2 296.418 3.446 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000584509049 378389714 /nfs/dbraw/zinc/38/97/14/378389714.db2.gz FFIHJENUZRSSLH-ZDUSSCGKSA-N 2 2 298.833 3.343 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000584509049 378389722 /nfs/dbraw/zinc/38/97/22/378389722.db2.gz FFIHJENUZRSSLH-ZDUSSCGKSA-N 2 2 298.833 3.343 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346096104 378462423 /nfs/dbraw/zinc/46/24/23/378462423.db2.gz OXKLXWIYJQYUKD-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346096104 378462428 /nfs/dbraw/zinc/46/24/28/378462428.db2.gz OXKLXWIYJQYUKD-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271928688 378521333 /nfs/dbraw/zinc/52/13/33/378521333.db2.gz GYEAEPRREYKWTC-MPGHIAIKSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000346140119 378477724 /nfs/dbraw/zinc/47/77/24/378477724.db2.gz WDNKIAINKYOIAN-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000346140119 378477732 /nfs/dbraw/zinc/47/77/32/378477732.db2.gz WDNKIAINKYOIAN-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346149316 378481224 /nfs/dbraw/zinc/48/12/24/378481224.db2.gz WSFDEFYPMHUVPK-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346149316 378481227 /nfs/dbraw/zinc/48/12/27/378481227.db2.gz WSFDEFYPMHUVPK-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H]2c2ccsc2)c[nH+]1 ZINC000272024322 378547822 /nfs/dbraw/zinc/54/78/22/378547822.db2.gz VPGXPGUUGKNKIO-AWEZNQCLSA-N 2 2 261.394 3.172 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H]2c2ccsc2)c[nH+]1 ZINC000272024322 378547826 /nfs/dbraw/zinc/54/78/26/378547826.db2.gz VPGXPGUUGKNKIO-AWEZNQCLSA-N 2 2 261.394 3.172 20 0 CGADLP CC[C@@H](COC)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346594950 378638948 /nfs/dbraw/zinc/63/89/48/378638948.db2.gz MRJIHMVSENRICT-ROUUACIJSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@@H](COC)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346594950 378638952 /nfs/dbraw/zinc/63/89/52/378638952.db2.gz MRJIHMVSENRICT-ROUUACIJSA-N 2 2 292.467 3.158 20 0 CGADLP COc1cccc(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000637889708 378617674 /nfs/dbraw/zinc/61/76/74/378617674.db2.gz QXPDZKXGDMCZER-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cccc(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000637889708 378617683 /nfs/dbraw/zinc/61/76/83/378617683.db2.gz QXPDZKXGDMCZER-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP C(C1CCSCC1)[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000637995993 378662152 /nfs/dbraw/zinc/66/21/52/378662152.db2.gz KVFDXSYAIVCZON-MRXNPFEDSA-N 2 2 282.497 3.080 20 0 CGADLP C(C1CCSCC1)[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000637995993 378662156 /nfs/dbraw/zinc/66/21/56/378662156.db2.gz KVFDXSYAIVCZON-MRXNPFEDSA-N 2 2 282.497 3.080 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3sccc32)CCC[N@@H+]1C ZINC000346807102 378690444 /nfs/dbraw/zinc/69/04/44/378690444.db2.gz LRCMTBBLMZSGQC-XBFCOCLRSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3sccc32)CCC[N@H+]1C ZINC000346807102 378690452 /nfs/dbraw/zinc/69/04/52/378690452.db2.gz LRCMTBBLMZSGQC-XBFCOCLRSA-N 2 2 264.438 3.198 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000638086968 378691566 /nfs/dbraw/zinc/69/15/66/378691566.db2.gz YEPYZDIVSOAZAF-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638288565 378757489 /nfs/dbraw/zinc/75/74/89/378757489.db2.gz UFXGKKSSMMJDTH-KCXAZCMYSA-N 2 2 296.405 3.485 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011011 378753804 /nfs/dbraw/zinc/75/38/04/378753804.db2.gz KLBLNSFYWMBZRJ-GOSISDBHSA-N 3 2 289.467 3.177 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011011 378753811 /nfs/dbraw/zinc/75/38/11/378753811.db2.gz KLBLNSFYWMBZRJ-GOSISDBHSA-N 3 2 289.467 3.177 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000638284722 378753955 /nfs/dbraw/zinc/75/39/55/378753955.db2.gz CRDFCETZAFVCFS-HZPDHXFCSA-N 2 2 261.413 3.388 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638288568 378758144 /nfs/dbraw/zinc/75/81/44/378758144.db2.gz UFXGKKSSMMJDTH-WQVCFCJDSA-N 2 2 296.405 3.485 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110749 378702804 /nfs/dbraw/zinc/70/28/04/378702804.db2.gz PJBVIKIIFNFQQF-JSGCOSHPSA-N 2 2 297.393 3.324 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110749 378702806 /nfs/dbraw/zinc/70/28/06/378702806.db2.gz PJBVIKIIFNFQQF-JSGCOSHPSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110749 378702810 /nfs/dbraw/zinc/70/28/10/378702810.db2.gz PJBVIKIIFNFQQF-JSGCOSHPSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110749 378702815 /nfs/dbraw/zinc/70/28/15/378702815.db2.gz PJBVIKIIFNFQQF-JSGCOSHPSA-N 2 2 297.393 3.324 20 0 CGADLP c1csc([C@H](C[NH2+]CCC[C@@H]2CCO2)[NH+]2CCCC2)c1 ZINC000638286471 378755283 /nfs/dbraw/zinc/75/52/83/378755283.db2.gz NFBHOQDGVJRAJF-CABCVRRESA-N 2 2 294.464 3.044 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173657 378722555 /nfs/dbraw/zinc/72/25/55/378722555.db2.gz ZWGJOSURVGUZGQ-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173657 378722561 /nfs/dbraw/zinc/72/25/61/378722561.db2.gz ZWGJOSURVGUZGQ-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2occc2c1 ZINC000347926996 378731616 /nfs/dbraw/zinc/73/16/16/378731616.db2.gz ZOPYHIHIZPYQQD-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2occc2c1 ZINC000347926996 378731620 /nfs/dbraw/zinc/73/16/20/378731620.db2.gz ZOPYHIHIZPYQQD-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2occc2c1 ZINC000347926996 378731623 /nfs/dbraw/zinc/73/16/23/378731623.db2.gz ZOPYHIHIZPYQQD-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2occc2c1 ZINC000347926996 378731627 /nfs/dbraw/zinc/73/16/27/378731627.db2.gz ZOPYHIHIZPYQQD-SJORKVTESA-N 2 2 284.403 3.491 20 0 CGADLP CC(C)[C@@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349555 378774681 /nfs/dbraw/zinc/77/46/81/378774681.db2.gz QBARLMOJBKBUKM-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1ccc(NCCCc2c[nH+]ccc2C)c(C)[nH+]1 ZINC000348095758 378789151 /nfs/dbraw/zinc/78/91/51/378789151.db2.gz KCQJHTRMNBJFAO-UHFFFAOYSA-N 2 2 255.365 3.447 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000346841881 218032872 /nfs/dbraw/zinc/03/28/72/218032872.db2.gz HOEFFKDARVOBFX-UHFFFAOYSA-N 2 2 260.381 3.164 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000346841881 218032874 /nfs/dbraw/zinc/03/28/74/218032874.db2.gz HOEFFKDARVOBFX-UHFFFAOYSA-N 2 2 260.381 3.164 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346799716 218017470 /nfs/dbraw/zinc/01/74/70/218017470.db2.gz ACIHAIHEEDIWOA-DFBGVHRSSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCC[N@H+]1C ZINC000346799716 218017472 /nfs/dbraw/zinc/01/74/72/218017472.db2.gz ACIHAIHEEDIWOA-DFBGVHRSSA-N 2 2 294.439 3.435 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346803112 218019705 /nfs/dbraw/zinc/01/97/05/218019705.db2.gz UYPMUBLGJMVXRJ-LZWOXQAQSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346803112 218019706 /nfs/dbraw/zinc/01/97/06/218019706.db2.gz UYPMUBLGJMVXRJ-LZWOXQAQSA-N 2 2 276.424 3.137 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@H]21 ZINC000348234963 378852851 /nfs/dbraw/zinc/85/28/51/378852851.db2.gz YOCHXXDBVNZCAR-VHDGCEQUSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@H]21 ZINC000348234963 378852857 /nfs/dbraw/zinc/85/28/57/378852857.db2.gz YOCHXXDBVNZCAR-VHDGCEQUSA-N 2 2 293.480 3.215 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348247279 378862137 /nfs/dbraw/zinc/86/21/37/378862137.db2.gz QSJSJGQPMHQXKX-IRXDYDNUSA-N 2 2 260.425 3.112 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348247279 378862146 /nfs/dbraw/zinc/86/21/46/378862146.db2.gz QSJSJGQPMHQXKX-IRXDYDNUSA-N 2 2 260.425 3.112 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000348285537 378886573 /nfs/dbraw/zinc/88/65/73/378886573.db2.gz RCKCQBHISQSMGL-IAGOWNOFSA-N 2 2 288.435 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000348285537 378886576 /nfs/dbraw/zinc/88/65/76/378886576.db2.gz RCKCQBHISQSMGL-IAGOWNOFSA-N 2 2 288.435 3.355 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000348304709 378896354 /nfs/dbraw/zinc/89/63/54/378896354.db2.gz OGRZLWWDDIEHMM-NWDGAFQWSA-N 2 2 288.357 3.176 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348318517 378903725 /nfs/dbraw/zinc/90/37/25/378903725.db2.gz YLSGVSXLYIODSR-GDLCADMTSA-N 2 2 277.318 3.177 20 0 CGADLP c1cncc(-c2cccc(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)c2)c1 ZINC000347003980 218088850 /nfs/dbraw/zinc/08/88/50/218088850.db2.gz AMMLWYLUZNVGKA-LJQANCHMSA-N 2 2 293.414 3.075 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)c2)c1 ZINC000347003980 218088852 /nfs/dbraw/zinc/08/88/52/218088852.db2.gz AMMLWYLUZNVGKA-LJQANCHMSA-N 2 2 293.414 3.075 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)[C@@H]1C[NH3+] ZINC000347011228 218091394 /nfs/dbraw/zinc/09/13/94/218091394.db2.gz UGUVOGCUAFSNFY-XHDPSFHLSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@@H]1C[NH3+] ZINC000347011228 218091396 /nfs/dbraw/zinc/09/13/96/218091396.db2.gz UGUVOGCUAFSNFY-XHDPSFHLSA-N 2 2 276.355 3.131 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000348327702 378911433 /nfs/dbraw/zinc/91/14/33/378911433.db2.gz OSJGJSIXVBLOHU-MRXNPFEDSA-N 2 2 260.425 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC000348335554 378915323 /nfs/dbraw/zinc/91/53/23/378915323.db2.gz RFROHPVOFZRNHU-DZUCGIPZSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC000348335554 378915328 /nfs/dbraw/zinc/91/53/28/378915328.db2.gz RFROHPVOFZRNHU-DZUCGIPZSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC000348335951 378915930 /nfs/dbraw/zinc/91/59/30/378915930.db2.gz RFROHPVOFZRNHU-XBVQOTNRSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC000348335951 378915935 /nfs/dbraw/zinc/91/59/35/378915935.db2.gz RFROHPVOFZRNHU-XBVQOTNRSA-N 2 2 276.399 3.130 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1SC ZINC000346998402 218085083 /nfs/dbraw/zinc/08/50/83/218085083.db2.gz CUWWQJMKMISFPN-OCCSQVGLSA-N 2 2 294.464 3.119 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1SC ZINC000346998402 218085086 /nfs/dbraw/zinc/08/50/86/218085086.db2.gz CUWWQJMKMISFPN-OCCSQVGLSA-N 2 2 294.464 3.119 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274927913 378919905 /nfs/dbraw/zinc/91/99/05/378919905.db2.gz QIDXFPFSFOQARP-LBPRGKRZSA-N 2 2 269.820 3.118 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2F)s1 ZINC000347108277 218124224 /nfs/dbraw/zinc/12/42/24/218124224.db2.gz MQDYRONKEJFAMD-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2F)s1 ZINC000347108277 218124226 /nfs/dbraw/zinc/12/42/26/218124226.db2.gz MQDYRONKEJFAMD-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118284 218127335 /nfs/dbraw/zinc/12/73/35/218127335.db2.gz CMVWEQFDHCRJQN-WMLDXEAASA-N 2 2 268.360 3.296 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118284 218127337 /nfs/dbraw/zinc/12/73/37/218127337.db2.gz CMVWEQFDHCRJQN-WMLDXEAASA-N 2 2 268.360 3.296 20 0 CGADLP CCC[N@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000347121028 218129972 /nfs/dbraw/zinc/12/99/72/218129972.db2.gz ZOAASFBQWOZQKD-CQSZACIVSA-N 2 2 276.355 3.146 20 0 CGADLP CCC[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000347121028 218129974 /nfs/dbraw/zinc/12/99/74/218129974.db2.gz ZOAASFBQWOZQKD-CQSZACIVSA-N 2 2 276.355 3.146 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2c1CCC2 ZINC000334542126 206686675 /nfs/dbraw/zinc/68/66/75/206686675.db2.gz BWPGKUZKLMDKCY-GOSISDBHSA-N 2 2 299.462 3.021 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2c1CCC2 ZINC000334542126 206686677 /nfs/dbraw/zinc/68/66/77/206686677.db2.gz BWPGKUZKLMDKCY-GOSISDBHSA-N 2 2 299.462 3.021 20 0 CGADLP c1cc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000347126312 218131488 /nfs/dbraw/zinc/13/14/88/218131488.db2.gz SHBPJUUGYWFYCX-MRXNPFEDSA-N 2 2 288.416 3.229 20 0 CGADLP c1cc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000347126312 218131491 /nfs/dbraw/zinc/13/14/91/218131491.db2.gz SHBPJUUGYWFYCX-MRXNPFEDSA-N 2 2 288.416 3.229 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370683761 379054943 /nfs/dbraw/zinc/05/49/43/379054943.db2.gz ZPIIZZUWUJOGGP-CABCVRRESA-N 2 2 299.418 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@@H+]1C ZINC000278675301 194098278 /nfs/dbraw/zinc/09/82/78/194098278.db2.gz GCLUMGHCUYNBMG-KOLCDFICSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@H+]1C ZINC000278675301 194098280 /nfs/dbraw/zinc/09/82/80/194098280.db2.gz GCLUMGHCUYNBMG-KOLCDFICSA-N 2 2 288.769 3.191 20 0 CGADLP CCCC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348834851 379074053 /nfs/dbraw/zinc/07/40/53/379074053.db2.gz QXCZABZZCKYRJC-CYBMUJFWSA-N 2 2 258.369 3.317 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277140413 379080227 /nfs/dbraw/zinc/08/02/27/379080227.db2.gz IZQCCXIEAWYPMU-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277140413 379080233 /nfs/dbraw/zinc/08/02/33/379080233.db2.gz IZQCCXIEAWYPMU-CQSZACIVSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277140411 379080634 /nfs/dbraw/zinc/08/06/34/379080634.db2.gz IZQCCXIEAWYPMU-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277140411 379080639 /nfs/dbraw/zinc/08/06/39/379080639.db2.gz IZQCCXIEAWYPMU-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000277327769 379131143 /nfs/dbraw/zinc/13/11/43/379131143.db2.gz UCMUWLFXECPICR-CABCVRRESA-N 2 2 278.465 3.442 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149949 379171743 /nfs/dbraw/zinc/17/17/43/379171743.db2.gz MHNVFBDYWOYTKD-GOEBONIOSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149949 379171749 /nfs/dbraw/zinc/17/17/49/379171749.db2.gz MHNVFBDYWOYTKD-GOEBONIOSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000349181858 379180710 /nfs/dbraw/zinc/18/07/10/379180710.db2.gz FTFQKGMZKFWBHB-VNHYZAJKSA-N 2 2 285.391 3.126 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000349181858 379180721 /nfs/dbraw/zinc/18/07/21/379180721.db2.gz FTFQKGMZKFWBHB-VNHYZAJKSA-N 2 2 285.391 3.126 20 0 CGADLP c1coc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349411704 379273078 /nfs/dbraw/zinc/27/30/78/379273078.db2.gz AAHHAGGACDDHET-UHFFFAOYSA-N 2 2 273.380 3.169 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000278911211 194209639 /nfs/dbraw/zinc/20/96/39/194209639.db2.gz JOFNIOUUEBPNOD-QGZVFWFLSA-N 2 2 282.387 3.305 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC000347600721 218286307 /nfs/dbraw/zinc/28/63/07/218286307.db2.gz VYGWXVCDSDDYIO-GJZGRUSLSA-N 2 2 269.392 3.350 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC000347600721 218286309 /nfs/dbraw/zinc/28/63/09/218286309.db2.gz VYGWXVCDSDDYIO-GJZGRUSLSA-N 2 2 269.392 3.350 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)F)C2)c(C)[nH+]1 ZINC000639556398 379470318 /nfs/dbraw/zinc/47/03/18/379470318.db2.gz VLEDZJDTLUQMGE-LBPRGKRZSA-N 2 2 254.324 3.094 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](C(F)F)C2)c(C)[nH+]1 ZINC000639556398 379470323 /nfs/dbraw/zinc/47/03/23/379470323.db2.gz VLEDZJDTLUQMGE-LBPRGKRZSA-N 2 2 254.324 3.094 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000347622144 218295266 /nfs/dbraw/zinc/29/52/66/218295266.db2.gz VSIDCTGLWMYHOO-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000347622144 218295267 /nfs/dbraw/zinc/29/52/67/218295267.db2.gz VSIDCTGLWMYHOO-CABCVRRESA-N 2 2 263.429 3.420 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000376402548 379550111 /nfs/dbraw/zinc/55/01/11/379550111.db2.gz USWQWELJDTVKQA-WWDZGPRUSA-N 2 2 294.483 3.188 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2C2CCCC2)s1 ZINC000347645397 218304584 /nfs/dbraw/zinc/30/45/84/218304584.db2.gz BDXGOAVSWXGIMV-HNNXBMFYSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2C2CCCC2)s1 ZINC000347645397 218304587 /nfs/dbraw/zinc/30/45/87/218304587.db2.gz BDXGOAVSWXGIMV-HNNXBMFYSA-N 2 2 293.480 3.359 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768921 379601192 /nfs/dbraw/zinc/60/11/92/379601192.db2.gz OWJHSXVJCIZMDW-UONOGXRCSA-N 2 2 261.413 3.135 20 0 CGADLP C(C[N@@H+]1CC[NH+]2CCC1CC2)C1CCCCCC1 ZINC000570204785 322267655 /nfs/dbraw/zinc/26/76/55/322267655.db2.gz VULRPJOCJRXYHQ-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CC[NH+]2CCC1CC2)C1CCCCCC1 ZINC000570204785 322267657 /nfs/dbraw/zinc/26/76/57/322267657.db2.gz VULRPJOCJRXYHQ-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)[NH+]1CCCC1 ZINC000280413323 379699901 /nfs/dbraw/zinc/69/99/01/379699901.db2.gz YTNMOCNELXFIGE-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000267214748 190312806 /nfs/dbraw/zinc/31/28/06/190312806.db2.gz MLFZLFZUQXPDQD-RHSMWYFYSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000267214748 190312807 /nfs/dbraw/zinc/31/28/07/190312807.db2.gz MLFZLFZUQXPDQD-RHSMWYFYSA-N 2 2 296.418 3.108 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000377763381 379735813 /nfs/dbraw/zinc/73/58/13/379735813.db2.gz FMMUIFGMRIGLPZ-ZFWWWQNUSA-N 2 2 273.424 3.301 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000347755833 218346969 /nfs/dbraw/zinc/34/69/69/218346969.db2.gz YQEJFJFTYKGVQE-ZFWWWQNUSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](c2ccco2)C1 ZINC000347755833 218346970 /nfs/dbraw/zinc/34/69/70/218346970.db2.gz YQEJFJFTYKGVQE-ZFWWWQNUSA-N 2 2 273.380 3.029 20 0 CGADLP C[C@@H](F)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359701 379779231 /nfs/dbraw/zinc/77/92/31/379779231.db2.gz BQNILXVRZSXQQU-KGLIPLIRSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@@H](F)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352359701 379779241 /nfs/dbraw/zinc/77/92/41/379779241.db2.gz BQNILXVRZSXQQU-KGLIPLIRSA-N 2 2 279.403 3.147 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)oc1C ZINC000282119408 379856136 /nfs/dbraw/zinc/85/61/36/379856136.db2.gz JJYVBFFCOYQSTR-ZDUSSCGKSA-N 2 2 273.380 3.444 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780503 218355231 /nfs/dbraw/zinc/35/52/31/218355231.db2.gz OPWXZINZZNNNFY-UHFFFAOYSA-N 2 2 295.477 3.207 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780503 218355233 /nfs/dbraw/zinc/35/52/33/218355233.db2.gz OPWXZINZZNNNFY-UHFFFAOYSA-N 2 2 295.477 3.207 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282441597 379919192 /nfs/dbraw/zinc/91/91/92/379919192.db2.gz ZLNYZEPRAZNNMP-UNEWFSDZSA-N 2 2 269.392 3.045 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000389208419 379896395 /nfs/dbraw/zinc/89/63/95/379896395.db2.gz BIVMGTILBFUBHB-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000389208419 379896398 /nfs/dbraw/zinc/89/63/98/379896398.db2.gz BIVMGTILBFUBHB-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000352793077 379964110 /nfs/dbraw/zinc/96/41/10/379964110.db2.gz DCKHELSAVGILOL-GOEBONIOSA-N 2 2 273.424 3.466 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000352810607 379975593 /nfs/dbraw/zinc/97/55/93/379975593.db2.gz OCGMTOCVVUKGGV-KDOFPFPSSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000352810607 379975597 /nfs/dbraw/zinc/97/55/97/379975597.db2.gz OCGMTOCVVUKGGV-KDOFPFPSSA-N 2 2 297.446 3.091 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000400636790 379953785 /nfs/dbraw/zinc/95/37/85/379953785.db2.gz UAIICSKHUMNOOC-WMZOPIPTSA-N 2 2 290.451 3.086 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000404641595 379982429 /nfs/dbraw/zinc/98/24/29/379982429.db2.gz CXZCHTLAJAIQDL-UHFFFAOYSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376740 379995549 /nfs/dbraw/zinc/99/55/49/379995549.db2.gz INAARKVZRCDJPL-HUUCEWRRSA-N 2 2 291.414 3.312 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641376740 379995558 /nfs/dbraw/zinc/99/55/58/379995558.db2.gz INAARKVZRCDJPL-HUUCEWRRSA-N 2 2 291.414 3.312 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282826701 379998154 /nfs/dbraw/zinc/99/81/54/379998154.db2.gz UYSVGBJZUXZSIK-GOEBONIOSA-N 2 2 289.398 3.385 20 0 CGADLP Cc1[nH+]ccc(NCc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000352846572 380000369 /nfs/dbraw/zinc/00/03/69/380000369.db2.gz AVJDOEQABMQIAR-UHFFFAOYSA-N 2 2 298.777 3.263 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000352850497 380004448 /nfs/dbraw/zinc/00/44/48/380004448.db2.gz XTVCCJFOPVFAIA-CWRNSKLLSA-N 2 2 282.497 3.006 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641720702 380062221 /nfs/dbraw/zinc/06/22/21/380062221.db2.gz OKHMBGAVDWOACZ-CVEARBPZSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000283644567 380079666 /nfs/dbraw/zinc/07/96/66/380079666.db2.gz AVZZQJQOCWNPQK-OAHLLOKOSA-N 2 2 297.402 3.389 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC000641779524 380094946 /nfs/dbraw/zinc/09/49/46/380094946.db2.gz NBBKZYRXQQPBPO-MAUKXSAKSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)CC2 ZINC000641779524 380094954 /nfs/dbraw/zinc/09/49/54/380094954.db2.gz NBBKZYRXQQPBPO-MAUKXSAKSA-N 2 2 281.403 3.398 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000641792179 380103301 /nfs/dbraw/zinc/10/33/01/380103301.db2.gz PTSXHITYNMTWCE-QWHCGFSZSA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000641792179 380103310 /nfs/dbraw/zinc/10/33/10/380103310.db2.gz PTSXHITYNMTWCE-QWHCGFSZSA-N 2 2 287.432 3.013 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000641792550 380105821 /nfs/dbraw/zinc/10/58/21/380105821.db2.gz XBNXHMNURUKBLH-WDEREUQCSA-N 2 2 279.334 3.485 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000641799341 380111402 /nfs/dbraw/zinc/11/14/02/380111402.db2.gz VCPQCGVFAGFJFR-MRXNPFEDSA-N 2 2 287.432 3.027 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2n[nH]cc2c1 ZINC000353114352 380121803 /nfs/dbraw/zinc/12/18/03/380121803.db2.gz VTIMOVBONVOHHB-GFCCVEGCSA-N 2 2 291.358 3.061 20 0 CGADLP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000353386327 380205074 /nfs/dbraw/zinc/20/50/74/380205074.db2.gz NMPJADPNEPFKGE-INIZCTEOSA-N 2 2 298.858 3.347 20 0 CGADLP COC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000353386327 380205080 /nfs/dbraw/zinc/20/50/80/380205080.db2.gz NMPJADPNEPFKGE-INIZCTEOSA-N 2 2 298.858 3.347 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000268324232 190395283 /nfs/dbraw/zinc/39/52/83/190395283.db2.gz NVORUCMFFZIHGQ-UHFFFAOYSA-N 2 2 281.403 3.102 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000268324232 190395284 /nfs/dbraw/zinc/39/52/84/190395284.db2.gz NVORUCMFFZIHGQ-UHFFFAOYSA-N 2 2 281.403 3.102 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000414340175 380214716 /nfs/dbraw/zinc/21/47/16/380214716.db2.gz KKMZDLFAOHQNQK-OLZOCXBDSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000414340175 380214720 /nfs/dbraw/zinc/21/47/20/380214720.db2.gz KKMZDLFAOHQNQK-OLZOCXBDSA-N 2 2 264.438 3.153 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccsc2S1 ZINC000643501326 380322181 /nfs/dbraw/zinc/32/21/81/380322181.db2.gz CVXLVFIBARAXIP-LOWVWBTDSA-N 2 2 282.478 3.405 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643501745 380324653 /nfs/dbraw/zinc/32/46/53/380324653.db2.gz PCWSDVMNTUWJHH-JSGCOSHPSA-N 2 2 262.397 3.025 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643507578 380330136 /nfs/dbraw/zinc/33/01/36/380330136.db2.gz JDOSBKYFSMEOOU-HNNXBMFYSA-N 2 2 276.449 3.182 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000643509060 380332025 /nfs/dbraw/zinc/33/20/25/380332025.db2.gz HCOFXMYLRQURHS-MOPGFXCFSA-N 2 2 280.415 3.224 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354017053 380280845 /nfs/dbraw/zinc/28/08/45/380280845.db2.gz GMKNKNICQYAROQ-WWGRRREGSA-N 2 2 287.432 3.274 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771982 380396184 /nfs/dbraw/zinc/39/61/84/380396184.db2.gz QIWTYLULTJCVPC-WFASDCNBSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771982 380396193 /nfs/dbraw/zinc/39/61/93/380396193.db2.gz QIWTYLULTJCVPC-WFASDCNBSA-N 2 2 272.417 3.337 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414707986 380382147 /nfs/dbraw/zinc/38/21/47/380382147.db2.gz PRUZZHQUWXMMBH-HNNXBMFYSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414707986 380382150 /nfs/dbraw/zinc/38/21/50/380382150.db2.gz PRUZZHQUWXMMBH-HNNXBMFYSA-N 2 2 278.415 3.078 20 0 CGADLP COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1ccccc1 ZINC000414710083 380382796 /nfs/dbraw/zinc/38/27/96/380382796.db2.gz RVCNJUFAYLIBPA-WBVHZDCISA-N 2 2 278.440 3.069 20 0 CGADLP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)c1ccccc1 ZINC000414710083 380382805 /nfs/dbraw/zinc/38/28/05/380382805.db2.gz RVCNJUFAYLIBPA-WBVHZDCISA-N 2 2 278.440 3.069 20 0 CGADLP CC[C@](C)([NH2+]C[C@H]([NH3+])CC(C)C)c1nc(C)cs1 ZINC000414711306 380383478 /nfs/dbraw/zinc/38/34/78/380383478.db2.gz QYKRCSRRYLUHGS-OCCSQVGLSA-N 2 2 269.458 3.040 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)Cc1ccsc1 ZINC000414760058 380394503 /nfs/dbraw/zinc/39/45/03/380394503.db2.gz PVHYHRBYSFTXRU-CYBMUJFWSA-N 2 2 268.470 3.389 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)Cc1ccsc1 ZINC000414760058 380394511 /nfs/dbraw/zinc/39/45/11/380394511.db2.gz PVHYHRBYSFTXRU-CYBMUJFWSA-N 2 2 268.470 3.389 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000354134910 380340513 /nfs/dbraw/zinc/34/05/13/380340513.db2.gz VLULDLBQTIUIMJ-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000354134910 380340518 /nfs/dbraw/zinc/34/05/18/380340518.db2.gz VLULDLBQTIUIMJ-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1cccc([C@H]([NH2+]C[C@@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000643527492 380343373 /nfs/dbraw/zinc/34/33/73/380343373.db2.gz NOISTLHGSAHFEW-DYVFJYSZSA-N 2 2 272.367 3.160 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC000643538915 380355979 /nfs/dbraw/zinc/35/59/79/380355979.db2.gz ZYPREIDTZSOGCM-STQMWFEESA-N 2 2 282.362 3.046 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643537898 380356070 /nfs/dbraw/zinc/35/60/70/380356070.db2.gz UHAASTZBIJGHOH-KCXAZCMYSA-N 2 2 264.388 3.161 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538526 380356404 /nfs/dbraw/zinc/35/64/04/380356404.db2.gz MICYGYJBDOMWSP-PYTWLRIVSA-N 2 2 276.399 3.161 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000414669848 380362528 /nfs/dbraw/zinc/36/25/28/380362528.db2.gz BZXNBZCVHQUVQJ-UONOGXRCSA-N 2 2 252.427 3.258 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000414669848 380362533 /nfs/dbraw/zinc/36/25/33/380362533.db2.gz BZXNBZCVHQUVQJ-UONOGXRCSA-N 2 2 252.427 3.258 20 0 CGADLP Cc1ccsc1[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354486780 380456740 /nfs/dbraw/zinc/45/67/40/380456740.db2.gz BMIIAPLBBRQOFU-HNNXBMFYSA-N 2 2 290.432 3.016 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414817767 380428626 /nfs/dbraw/zinc/42/86/26/380428626.db2.gz SZUNHVIUCAXZAM-LBPRGKRZSA-N 2 2 292.320 3.452 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414821483 380432070 /nfs/dbraw/zinc/43/20/70/380432070.db2.gz CGOFWOPWDXQBHZ-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]1C1CC1)c1ccccc1 ZINC000414827102 380435973 /nfs/dbraw/zinc/43/59/73/380435973.db2.gz GNCWATWZCPJAKB-GVDBMIGSSA-N 2 2 258.409 3.245 20 0 CGADLP C[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414829508 380438090 /nfs/dbraw/zinc/43/80/90/380438090.db2.gz KQYBSPZBWMXQJK-PBHICJAKSA-N 2 2 254.377 3.080 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000414832025 380440794 /nfs/dbraw/zinc/44/07/94/380440794.db2.gz CXGGRBYGOKANOU-SFHVURJKSA-N 2 2 298.434 3.074 20 0 CGADLP [NH3+][C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000414833709 380441764 /nfs/dbraw/zinc/44/17/64/380441764.db2.gz PVZMAIBNVKVPNM-OKZBNKHCSA-N 2 2 266.388 3.080 20 0 CGADLP CCO[C@H](CC[NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000354491114 380457993 /nfs/dbraw/zinc/45/79/93/380457993.db2.gz CVEXVRSYYITVCE-QGZVFWFLSA-N 2 2 278.440 3.363 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000414838139 380445963 /nfs/dbraw/zinc/44/59/63/380445963.db2.gz VBRYLQOQSJJADW-KRWDZBQOSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCSCC2)cc1 ZINC000414850047 380451907 /nfs/dbraw/zinc/45/19/07/380451907.db2.gz RYQWXDYAGCBLCM-INIZCTEOSA-N 2 2 278.465 3.295 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC([NH3+])C1 ZINC000414780902 380401503 /nfs/dbraw/zinc/40/15/03/380401503.db2.gz USWUWDSYNRKZRK-UHFFFAOYSA-N 2 2 277.170 3.054 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC([NH3+])C1 ZINC000414780902 380401507 /nfs/dbraw/zinc/40/15/07/380401507.db2.gz USWUWDSYNRKZRK-UHFFFAOYSA-N 2 2 277.170 3.054 20 0 CGADLP COc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1F ZINC000414800324 380413453 /nfs/dbraw/zinc/41/34/53/380413453.db2.gz FNSHGZGLZHIJKY-UHFFFAOYSA-N 2 2 294.414 3.236 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414810319 380422568 /nfs/dbraw/zinc/42/25/68/380422568.db2.gz HVOFETKXWIAEJT-AWEZNQCLSA-N 2 2 289.448 3.417 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000414926010 380491876 /nfs/dbraw/zinc/49/18/76/380491876.db2.gz JOHHWRRYLPZOQO-AWEZNQCLSA-N 2 2 295.496 3.209 20 0 CGADLP Cc1cc(NCC2=CC[N@H+](C)CC2)c2cccc(F)c2[nH+]1 ZINC000354586023 380495827 /nfs/dbraw/zinc/49/58/27/380495827.db2.gz ZZOGJRADNXRUJJ-UHFFFAOYSA-N 2 2 285.366 3.356 20 0 CGADLP Cc1cc(NCC2=CC[N@@H+](C)CC2)c2cccc(F)c2[nH+]1 ZINC000354586023 380495834 /nfs/dbraw/zinc/49/58/34/380495834.db2.gz ZZOGJRADNXRUJJ-UHFFFAOYSA-N 2 2 285.366 3.356 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)C(F)(F)F)c[nH+]1 ZINC000354625398 380505354 /nfs/dbraw/zinc/50/53/54/380505354.db2.gz FQGNJARQXXYBLJ-SNVBAGLBSA-N 2 2 260.303 3.111 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354633115 380508235 /nfs/dbraw/zinc/50/82/35/380508235.db2.gz NQZOQJRQAGGBFQ-DLBZAZTESA-N 2 2 283.419 3.227 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1Oc1cccnc1 ZINC000414861084 380462244 /nfs/dbraw/zinc/46/22/44/380462244.db2.gz DWXHCLVIEHBGSQ-MRXNPFEDSA-N 2 2 297.402 3.024 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1Oc1cccnc1 ZINC000414861082 380462285 /nfs/dbraw/zinc/46/22/85/380462285.db2.gz DWXHCLVIEHBGSQ-INIZCTEOSA-N 2 2 297.402 3.024 20 0 CGADLP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863340 380463083 /nfs/dbraw/zinc/46/30/83/380463083.db2.gz IKUGTNQJHCGIRF-CQSZACIVSA-N 2 2 272.417 3.257 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414862757 380463420 /nfs/dbraw/zinc/46/34/20/380463420.db2.gz HTWKNVHMVPACAI-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1nc(CC[NH2+]CCCc2ccc(C)[nH+]c2)sc1C ZINC000354509372 380464246 /nfs/dbraw/zinc/46/42/46/380464246.db2.gz UGTHQHSMKDGAQO-UHFFFAOYSA-N 2 2 289.448 3.228 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414885210 380474388 /nfs/dbraw/zinc/47/43/88/380474388.db2.gz WPTORIKOPPAWBQ-UHFFFAOYSA-N 2 2 296.414 3.333 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414889788 380475542 /nfs/dbraw/zinc/47/55/42/380475542.db2.gz UIEKXJAYXDSHDL-KRWDZBQOSA-N 2 2 266.388 3.114 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CCSCC1 ZINC000354539369 380478718 /nfs/dbraw/zinc/47/87/18/380478718.db2.gz IRXFQVKHCDCWGQ-CYBMUJFWSA-N 2 2 264.438 3.054 20 0 CGADLP c1cc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cs1 ZINC000414898424 380480634 /nfs/dbraw/zinc/48/06/34/380480634.db2.gz ADARXZBEVUATNM-GFCCVEGCSA-N 2 2 293.461 3.103 20 0 CGADLP CC(C)(C)OCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000354740552 380546858 /nfs/dbraw/zinc/54/68/58/380546858.db2.gz WHHAJVAYIBFWPP-UHFFFAOYSA-N 2 2 279.428 3.184 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCSCC1 ZINC000355113095 380579635 /nfs/dbraw/zinc/57/96/35/380579635.db2.gz JCSDTAYQCLSHGB-AWEZNQCLSA-N 2 2 284.513 3.230 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCSCC1 ZINC000355113095 380579643 /nfs/dbraw/zinc/57/96/43/380579643.db2.gz JCSDTAYQCLSHGB-AWEZNQCLSA-N 2 2 284.513 3.230 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000645176185 380604631 /nfs/dbraw/zinc/60/46/31/380604631.db2.gz OZOPZRNEVWCBGR-INIZCTEOSA-N 2 2 295.430 3.465 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171389 380609907 /nfs/dbraw/zinc/60/99/07/380609907.db2.gz WWROLDDNERRLTG-HIFRSBDPSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171389 380609916 /nfs/dbraw/zinc/60/99/16/380609916.db2.gz WWROLDDNERRLTG-HIFRSBDPSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3c3[nH]cc[nH+]3)c2c1C ZINC000645185313 380609991 /nfs/dbraw/zinc/60/99/91/380609991.db2.gz NZBOOHXDFUPEQZ-GFCCVEGCSA-N 2 2 296.378 3.029 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC3CC([NH+]4CCCCC4)C3)c2c1C ZINC000645229461 380625308 /nfs/dbraw/zinc/62/53/08/380625308.db2.gz FNXQRIVFXYHBMH-UHFFFAOYSA-N 2 2 299.422 3.004 20 0 CGADLP CCn1c[nH+]cc1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000417775336 380676634 /nfs/dbraw/zinc/67/66/34/380676634.db2.gz MWMHEXRFLIOSIT-AWEZNQCLSA-N 2 2 290.436 3.177 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000417775336 380676639 /nfs/dbraw/zinc/67/66/39/380676639.db2.gz MWMHEXRFLIOSIT-AWEZNQCLSA-N 2 2 290.436 3.177 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000417846350 380682378 /nfs/dbraw/zinc/68/23/78/380682378.db2.gz JEYXJMNQPPBNNC-UHFFFAOYSA-N 2 2 298.434 3.153 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CC[C@@H](C)C3)c[nH+]c12 ZINC000355608413 380726972 /nfs/dbraw/zinc/72/69/72/380726972.db2.gz OURZVMJSRGJMTN-OCCSQVGLSA-N 2 2 257.381 3.169 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(CC(C)C)s2)CC1 ZINC000125293243 535459754 /nfs/dbraw/zinc/45/97/54/535459754.db2.gz ZFQWGBRAGUTNPC-UHFFFAOYSA-N 2 2 295.496 3.258 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000420362510 380852490 /nfs/dbraw/zinc/85/24/90/380852490.db2.gz AUBBFCNEPFDHBZ-WMLDXEAASA-N 2 2 254.377 3.021 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359522 380852807 /nfs/dbraw/zinc/85/28/07/380852807.db2.gz FTOXQRVKIIXUHU-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359522 380852810 /nfs/dbraw/zinc/85/28/10/380852810.db2.gz FTOXQRVKIIXUHU-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@@H+]1C ZINC000421340231 380883223 /nfs/dbraw/zinc/88/32/23/380883223.db2.gz HVDLQTFAYMPEFX-SUMWQHHRSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@H+]1C ZINC000421340231 380883232 /nfs/dbraw/zinc/88/32/32/380883232.db2.gz HVDLQTFAYMPEFX-SUMWQHHRSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000357009752 380985541 /nfs/dbraw/zinc/98/55/41/380985541.db2.gz RIARBXDMVXLVAK-ZIAGYGMSSA-N 2 2 261.413 3.415 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000358165764 381293888 /nfs/dbraw/zinc/29/38/88/381293888.db2.gz ORJILNONSDKUDK-MSOLQXFVSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000358165764 381293894 /nfs/dbraw/zinc/29/38/94/381293894.db2.gz ORJILNONSDKUDK-MSOLQXFVSA-N 2 2 270.420 3.032 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000360574706 381582584 /nfs/dbraw/zinc/58/25/84/381582584.db2.gz PKTIPYDHCZSVCH-XNJGSVPQSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000360574706 381582591 /nfs/dbraw/zinc/58/25/91/381582591.db2.gz PKTIPYDHCZSVCH-XNJGSVPQSA-N 2 2 276.399 3.133 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000221852499 542287899 /nfs/dbraw/zinc/28/78/99/542287899.db2.gz KPGQCBDITHUGAJ-IJEWVQPXSA-N 2 2 288.435 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000221852499 542287902 /nfs/dbraw/zinc/28/79/02/542287902.db2.gz KPGQCBDITHUGAJ-IJEWVQPXSA-N 2 2 288.435 3.361 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000361010665 381643893 /nfs/dbraw/zinc/64/38/93/381643893.db2.gz ADOZJVZZHVQEAZ-GOSISDBHSA-N 2 2 292.467 3.250 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000361010665 381643901 /nfs/dbraw/zinc/64/39/01/381643901.db2.gz ADOZJVZZHVQEAZ-GOSISDBHSA-N 2 2 292.467 3.250 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1C(C)C ZINC000361340365 381705354 /nfs/dbraw/zinc/70/53/54/381705354.db2.gz CZNVJJJAIGJIIN-WCQYABFASA-N 2 2 281.469 3.147 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1C(C)C ZINC000361340365 381705360 /nfs/dbraw/zinc/70/53/60/381705360.db2.gz CZNVJJJAIGJIIN-WCQYABFASA-N 2 2 281.469 3.147 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557210 381801037 /nfs/dbraw/zinc/80/10/37/381801037.db2.gz OTJZHJCWYBTJEX-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557210 381801040 /nfs/dbraw/zinc/80/10/40/381801040.db2.gz OTJZHJCWYBTJEX-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557210 381801047 /nfs/dbraw/zinc/80/10/47/381801047.db2.gz OTJZHJCWYBTJEX-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3Cl)CC[C@@H]21 ZINC000361557210 381801030 /nfs/dbraw/zinc/80/10/30/381801030.db2.gz OTJZHJCWYBTJEX-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524826 382035746 /nfs/dbraw/zinc/03/57/46/382035746.db2.gz JOYIDGDQZOUQQY-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524826 382035751 /nfs/dbraw/zinc/03/57/51/382035751.db2.gz JOYIDGDQZOUQQY-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524826 382035757 /nfs/dbraw/zinc/03/57/57/382035757.db2.gz JOYIDGDQZOUQQY-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3)CC[C@H]21 ZINC000362524826 382035761 /nfs/dbraw/zinc/03/57/61/382035761.db2.gz JOYIDGDQZOUQQY-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@@H+]1C1CC1 ZINC000362913673 382144265 /nfs/dbraw/zinc/14/42/65/382144265.db2.gz OCBAKMGPSFKEAS-IAQYHMDHSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@H+]1C1CC1 ZINC000362913673 382144270 /nfs/dbraw/zinc/14/42/70/382144270.db2.gz OCBAKMGPSFKEAS-IAQYHMDHSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235223774 542311123 /nfs/dbraw/zinc/31/11/23/542311123.db2.gz NAQAOCLRWMLALC-RISCZKNCSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000367755695 382356985 /nfs/dbraw/zinc/35/69/85/382356985.db2.gz QKWBQDGTNULZKM-OAHLLOKOSA-N 2 2 296.418 3.105 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000251915143 542348409 /nfs/dbraw/zinc/34/84/09/542348409.db2.gz YAHDCUGWGQNDPG-GYSYKLTISA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000251915143 542348414 /nfs/dbraw/zinc/34/84/14/542348414.db2.gz YAHDCUGWGQNDPG-GYSYKLTISA-N 2 2 268.351 3.085 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252135128 542348921 /nfs/dbraw/zinc/34/89/21/542348921.db2.gz LKILQJAONVWRPQ-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252135128 542348925 /nfs/dbraw/zinc/34/89/25/542348925.db2.gz LKILQJAONVWRPQ-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253162946 542351747 /nfs/dbraw/zinc/35/17/47/542351747.db2.gz WISRBDLCMBQCNZ-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253162946 542351752 /nfs/dbraw/zinc/35/17/52/542351752.db2.gz WISRBDLCMBQCNZ-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000280197087 194743961 /nfs/dbraw/zinc/74/39/61/194743961.db2.gz DOOUCWMWWFWPND-LBPRGKRZSA-N 2 2 297.324 3.123 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc(F)c1F)C[NH+]1CCCC1 ZINC000575041921 322470140 /nfs/dbraw/zinc/47/01/40/322470140.db2.gz OLLHZDQFSGZCMK-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000335346269 208241025 /nfs/dbraw/zinc/24/10/25/208241025.db2.gz AHSKCTMAHVDTRP-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccon1 ZINC000349827153 218931537 /nfs/dbraw/zinc/93/15/37/218931537.db2.gz BEHXFQFYFQNCNG-OAHLLOKOSA-N 2 2 299.418 3.032 20 0 CGADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC000353750433 220300662 /nfs/dbraw/zinc/30/06/62/220300662.db2.gz OEWUXRCRRKINBZ-QWHCGFSZSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC000353750433 220300663 /nfs/dbraw/zinc/30/06/63/220300663.db2.gz OEWUXRCRRKINBZ-QWHCGFSZSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353750433 220300664 /nfs/dbraw/zinc/30/06/64/220300664.db2.gz OEWUXRCRRKINBZ-QWHCGFSZSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)s1 ZINC000353750433 220300665 /nfs/dbraw/zinc/30/06/65/220300665.db2.gz OEWUXRCRRKINBZ-QWHCGFSZSA-N 2 2 281.469 3.010 20 0 CGADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(C)c1O ZINC000289309889 197292495 /nfs/dbraw/zinc/29/24/95/197292495.db2.gz RXKTZTZSHDTRJX-UHFFFAOYSA-N 2 2 299.418 3.386 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000289325443 197297846 /nfs/dbraw/zinc/29/78/46/197297846.db2.gz KKZUDHYUKCEMCD-UHFFFAOYSA-N 2 2 297.324 3.113 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000289325443 197297848 /nfs/dbraw/zinc/29/78/48/197297848.db2.gz KKZUDHYUKCEMCD-UHFFFAOYSA-N 2 2 297.324 3.113 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000285731320 542389537 /nfs/dbraw/zinc/38/95/37/542389537.db2.gz PVXXTLXAXJSJBN-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000285731320 542389539 /nfs/dbraw/zinc/38/95/39/542389539.db2.gz PVXXTLXAXJSJBN-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP CCc1nc(CC[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000289257078 197277775 /nfs/dbraw/zinc/27/77/75/197277775.db2.gz MHPVNSYCMNUVDJ-UHFFFAOYSA-N 2 2 289.448 3.174 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccccn1 ZINC000289177535 197255351 /nfs/dbraw/zinc/25/53/51/197255351.db2.gz FSLMSVCLXNPZDH-CQSZACIVSA-N 2 2 255.365 3.068 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288329648 197052472 /nfs/dbraw/zinc/05/24/72/197052472.db2.gz AORJJZNWLHBGHS-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288329648 197052474 /nfs/dbraw/zinc/05/24/74/197052474.db2.gz AORJJZNWLHBGHS-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328288003 542443632 /nfs/dbraw/zinc/44/36/32/542443632.db2.gz UBYWVIJTMZNSDM-INIZCTEOSA-N 2 2 260.425 3.038 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328288003 542443633 /nfs/dbraw/zinc/44/36/33/542443633.db2.gz UBYWVIJTMZNSDM-INIZCTEOSA-N 2 2 260.425 3.038 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336723341 542479097 /nfs/dbraw/zinc/47/90/97/542479097.db2.gz WBOWBQSHZPISRC-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336723341 542479100 /nfs/dbraw/zinc/47/91/00/542479100.db2.gz WBOWBQSHZPISRC-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000348070531 542513323 /nfs/dbraw/zinc/51/33/23/542513323.db2.gz IENLPYIETKZPME-ROUUACIJSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000348098799 542514253 /nfs/dbraw/zinc/51/42/53/542514253.db2.gz BQQYXHJLEYACBM-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000348098799 542514258 /nfs/dbraw/zinc/51/42/58/542514258.db2.gz BQQYXHJLEYACBM-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000348078880 542514435 /nfs/dbraw/zinc/51/44/35/542514435.db2.gz FOHANGCBXVUIAF-MSOLQXFVSA-N 2 2 281.403 3.210 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000348115775 542515718 /nfs/dbraw/zinc/51/57/18/542515718.db2.gz ZXDBBCMATNYGBT-GVDBMIGSSA-N 2 2 258.409 3.068 20 0 CGADLP C[N@H+](Cc1scnc1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348870884 542523163 /nfs/dbraw/zinc/52/31/63/542523163.db2.gz VHFWXDZLEAYNQE-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[N@@H+](Cc1scnc1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348870884 542523166 /nfs/dbraw/zinc/52/31/66/542523166.db2.gz VHFWXDZLEAYNQE-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[NH+](Cc1scnc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348870884 542523169 /nfs/dbraw/zinc/52/31/69/542523169.db2.gz VHFWXDZLEAYNQE-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP C[NH+](Cc1scnc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348870884 542523173 /nfs/dbraw/zinc/52/31/73/542523173.db2.gz VHFWXDZLEAYNQE-PBWFPOADSA-N 2 2 291.464 3.078 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@@H]2C ZINC000359633186 533272705 /nfs/dbraw/zinc/27/27/05/533272705.db2.gz JFLZZRUXEIMTJY-UONOGXRCSA-N 2 2 299.418 3.208 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCn1cc[nH+]c1C)[C@@H]2C ZINC000359633186 533272708 /nfs/dbraw/zinc/27/27/08/533272708.db2.gz JFLZZRUXEIMTJY-UONOGXRCSA-N 2 2 299.418 3.208 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000367709575 533396501 /nfs/dbraw/zinc/39/65/01/533396501.db2.gz WTNPBHZZDHVWHG-MRXNPFEDSA-N 2 2 299.418 3.035 20 0 CGADLP COc1c(C)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000367709575 533396504 /nfs/dbraw/zinc/39/65/04/533396504.db2.gz WTNPBHZZDHVWHG-MRXNPFEDSA-N 2 2 299.418 3.035 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414193775 533412138 /nfs/dbraw/zinc/41/21/38/533412138.db2.gz UVGQYVLRVXOSKM-JJRVBVJISA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414193775 533412144 /nfs/dbraw/zinc/41/21/44/533412144.db2.gz UVGQYVLRVXOSKM-JJRVBVJISA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232019 533415525 /nfs/dbraw/zinc/41/55/25/533415525.db2.gz BSVWWUFMTAPKAD-WMLDXEAASA-N 2 2 284.403 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423232194 533419742 /nfs/dbraw/zinc/41/97/42/533419742.db2.gz HTHUDSCQDQPVTQ-KDOFPFPSSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423245798 533420003 /nfs/dbraw/zinc/42/00/03/533420003.db2.gz YRZOHIOOVFPOTO-KDOFPFPSSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423247840 533430877 /nfs/dbraw/zinc/43/08/77/533430877.db2.gz LRZMITWEQZAZQY-KDOFPFPSSA-N 2 2 298.434 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423251468 533431025 /nfs/dbraw/zinc/43/10/25/533431025.db2.gz WHKYTTBDDQXOHI-BZNIZROVSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423558472 533518996 /nfs/dbraw/zinc/51/89/96/533518996.db2.gz NRSSMBBTXXONQD-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000423442205 533538727 /nfs/dbraw/zinc/53/87/27/533538727.db2.gz JPMGCQNLPRJBEQ-OGHNNQOOSA-N 2 2 272.367 3.240 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000379435226 542594047 /nfs/dbraw/zinc/59/40/47/542594047.db2.gz JUVOSZMDQOGAGH-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000379435226 542594052 /nfs/dbraw/zinc/59/40/52/542594052.db2.gz JUVOSZMDQOGAGH-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389174636 542606706 /nfs/dbraw/zinc/60/67/06/542606706.db2.gz OQTOILUYPRAVMD-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389174636 542606709 /nfs/dbraw/zinc/60/67/09/542606709.db2.gz OQTOILUYPRAVMD-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1F)C2 ZINC000389118777 542606813 /nfs/dbraw/zinc/60/68/13/542606813.db2.gz QZPQUQWZIQBABI-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1F)C2 ZINC000389118777 542606818 /nfs/dbraw/zinc/60/68/18/542606818.db2.gz QZPQUQWZIQBABI-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C)s1 ZINC000191499917 130245429 /nfs/dbraw/zinc/24/54/29/130245429.db2.gz RRBUWCDPVRCMJC-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C)s1 ZINC000191499917 130245433 /nfs/dbraw/zinc/24/54/33/130245433.db2.gz RRBUWCDPVRCMJC-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414852158 542639763 /nfs/dbraw/zinc/63/97/63/542639763.db2.gz VPLKLFPLKOXJAA-SFHVURJKSA-N 2 2 283.419 3.303 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069382562 392172425 /nfs/dbraw/zinc/17/24/25/392172425.db2.gz YUJQDBMXXFZMMG-QWHCGFSZSA-N 2 2 289.345 3.374 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069382318 392173033 /nfs/dbraw/zinc/17/30/33/392173033.db2.gz PPXVNGKRYIPXLS-UONOGXRCSA-N 2 2 292.389 3.429 20 0 CGADLP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070281745 392179918 /nfs/dbraw/zinc/17/99/18/392179918.db2.gz UZAXIGAMZJJRFG-SWLSCSKDSA-N 2 2 284.806 3.470 20 0 CGADLP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070281745 392179921 /nfs/dbraw/zinc/17/99/21/392179921.db2.gz UZAXIGAMZJJRFG-SWLSCSKDSA-N 2 2 284.806 3.470 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081637628 392222860 /nfs/dbraw/zinc/22/28/60/392222860.db2.gz NFXAJHDYOLOWAO-HOTGVXAUSA-N 2 2 250.430 3.031 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000361742791 392310209 /nfs/dbraw/zinc/31/02/09/392310209.db2.gz CRBHFTUDMGVPPH-HRCADAONSA-N 2 2 296.499 3.290 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000361762025 392317312 /nfs/dbraw/zinc/31/73/12/392317312.db2.gz BEWXEPNITPRQQZ-DOMZBBRYSA-N 2 2 279.428 3.008 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000361762025 392317315 /nfs/dbraw/zinc/31/73/15/392317315.db2.gz BEWXEPNITPRQQZ-DOMZBBRYSA-N 2 2 279.428 3.008 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000104949735 392282129 /nfs/dbraw/zinc/28/21/29/392282129.db2.gz GRRBCLFXBMLUOD-QGZVFWFLSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000104949735 392282132 /nfs/dbraw/zinc/28/21/32/392282132.db2.gz GRRBCLFXBMLUOD-QGZVFWFLSA-N 2 2 287.451 3.026 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)Cn1cc[nH+]c1 ZINC000105424533 392289609 /nfs/dbraw/zinc/28/96/09/392289609.db2.gz MCEVPLYALFRUFE-AWEZNQCLSA-N 2 2 299.418 3.023 20 0 CGADLP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000438112220 542662155 /nfs/dbraw/zinc/66/21/55/542662155.db2.gz YZDGLMRGKDWTKH-ZWKOTPCHSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@H](CC)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000438112220 542662160 /nfs/dbraw/zinc/66/21/60/542662160.db2.gz YZDGLMRGKDWTKH-ZWKOTPCHSA-N 2 2 296.499 3.247 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000361970568 392378725 /nfs/dbraw/zinc/37/87/25/392378725.db2.gz HYFWJMDHVBFOMG-GOEBONIOSA-N 2 2 278.465 3.083 20 0 CGADLP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000362030238 392391419 /nfs/dbraw/zinc/39/14/19/392391419.db2.gz WRYDCAQKRMAZGA-ROUUACIJSA-N 2 2 299.418 3.171 20 0 CGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000130743015 392456087 /nfs/dbraw/zinc/45/60/87/392456087.db2.gz YSNZCLZMWBEHAA-KBXCAEBGSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000130743015 392456090 /nfs/dbraw/zinc/45/60/90/392456090.db2.gz YSNZCLZMWBEHAA-KBXCAEBGSA-N 2 2 272.436 3.080 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000366942751 392460780 /nfs/dbraw/zinc/46/07/80/392460780.db2.gz HDWQMTUAGJEBQV-INIZCTEOSA-N 2 2 285.366 3.136 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000154603753 392536883 /nfs/dbraw/zinc/53/68/83/392536883.db2.gz TYQVRQGXONKJJS-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000154603753 392536891 /nfs/dbraw/zinc/53/68/91/392536891.db2.gz TYQVRQGXONKJJS-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151672013 392486217 /nfs/dbraw/zinc/48/62/17/392486217.db2.gz BKGGOUQDPOPSRY-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1cccc(N[C@H](C)C[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000158375283 392565153 /nfs/dbraw/zinc/56/51/53/392565153.db2.gz CMWWQJJFRHXWJX-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000374595125 392680981 /nfs/dbraw/zinc/68/09/81/392680981.db2.gz ORRLUOGTCBBLFN-QGZVFWFLSA-N 2 2 288.410 3.373 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3ccc(F)cc31)CC2 ZINC000374595125 392680988 /nfs/dbraw/zinc/68/09/88/392680988.db2.gz ORRLUOGTCBBLFN-QGZVFWFLSA-N 2 2 288.410 3.373 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647291415 392642379 /nfs/dbraw/zinc/64/23/79/392642379.db2.gz OIBAUFQELNKHIZ-KYJSFNMBSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000647291415 392642384 /nfs/dbraw/zinc/64/23/84/392642384.db2.gz OIBAUFQELNKHIZ-KYJSFNMBSA-N 2 2 287.451 3.384 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)cc1C)CCC2 ZINC000372949394 392649202 /nfs/dbraw/zinc/64/92/02/392649202.db2.gz OROHHVDGHZAJLM-HNNXBMFYSA-N 2 2 287.382 3.306 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000311425936 392661167 /nfs/dbraw/zinc/66/11/67/392661167.db2.gz LSUHEWOYSRXQRW-IIYDPXPESA-N 2 2 256.393 3.061 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000311425936 392661180 /nfs/dbraw/zinc/66/11/80/392661180.db2.gz LSUHEWOYSRXQRW-IIYDPXPESA-N 2 2 256.393 3.061 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554117 392767343 /nfs/dbraw/zinc/76/73/43/392767343.db2.gz RHKHGDVEWVTYAZ-OAHLLOKOSA-N 2 2 278.827 3.413 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000647497263 392740781 /nfs/dbraw/zinc/74/07/81/392740781.db2.gz BCAWWGRSIMBKSF-MWLCHTKSSA-N 2 2 292.370 3.326 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@H]1[NH3+] ZINC000647497263 392740782 /nfs/dbraw/zinc/74/07/82/392740782.db2.gz BCAWWGRSIMBKSF-MWLCHTKSSA-N 2 2 292.370 3.326 20 0 CGADLP FC1(F)CCCC[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334794418 392751724 /nfs/dbraw/zinc/75/17/24/392751724.db2.gz XZKUAIQYVJJLDG-ZDUSSCGKSA-N 2 2 283.366 3.415 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1Br ZINC000647531353 392753940 /nfs/dbraw/zinc/75/39/40/392753940.db2.gz QHHHVOZIDQKPLM-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc(Cl)c1 ZINC000647534959 392756109 /nfs/dbraw/zinc/75/61/09/392756109.db2.gz ZHRSMRYBFJVATC-WWGRRREGSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc(Cl)c1 ZINC000647534959 392756118 /nfs/dbraw/zinc/75/61/18/392756118.db2.gz ZHRSMRYBFJVATC-WWGRRREGSA-N 2 2 278.827 3.127 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CC3CCC3)cn21 ZINC000647363516 392707859 /nfs/dbraw/zinc/70/78/59/392707859.db2.gz CCRNIOAEDAYLBX-ZDUSSCGKSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC34CCC4)cn21 ZINC000647364413 392708983 /nfs/dbraw/zinc/70/89/83/392708983.db2.gz ZVSOFENUIBQSEV-INIZCTEOSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCC13CCC3)CCC2 ZINC000336212715 392840540 /nfs/dbraw/zinc/84/05/40/392840540.db2.gz HTPNENHPIBKBKU-HUUCEWRRSA-N 2 2 273.424 3.381 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000510738912 392813472 /nfs/dbraw/zinc/81/34/72/392813472.db2.gz VTSQDYGKFUWNQS-OAGGEKHMSA-N 2 2 252.446 3.131 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC000647870829 392818384 /nfs/dbraw/zinc/81/83/84/392818384.db2.gz CFQGPAWAXWCFIO-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC000647870829 392818389 /nfs/dbraw/zinc/81/83/89/392818389.db2.gz CFQGPAWAXWCFIO-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924079 392834216 /nfs/dbraw/zinc/83/42/16/392834216.db2.gz DAMBVTREIYRQLC-LLVKDONJSA-N 2 2 297.240 3.323 20 0 CGADLP CC1(CC(F)F)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000648058577 392891775 /nfs/dbraw/zinc/89/17/75/392891775.db2.gz RIMTYRDZPGMDPW-UHFFFAOYSA-N 2 2 291.345 3.349 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[N@@H+]1C ZINC000338169351 392900232 /nfs/dbraw/zinc/90/02/32/392900232.db2.gz LXWOOLMDSXWRBG-ZETOZRRWSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[N@H+]1C ZINC000338169351 392900236 /nfs/dbraw/zinc/90/02/36/392900236.db2.gz LXWOOLMDSXWRBG-ZETOZRRWSA-N 2 2 280.362 3.024 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000376021755 392854954 /nfs/dbraw/zinc/85/49/54/392854954.db2.gz PHSVUGWKHKADTA-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151034 392869137 /nfs/dbraw/zinc/86/91/37/392869137.db2.gz PSRLTJMYVLIBOH-RHSMWYFYSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151034 392869142 /nfs/dbraw/zinc/86/91/42/392869142.db2.gz PSRLTJMYVLIBOH-RHSMWYFYSA-N 2 2 298.434 3.113 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000337241088 392876538 /nfs/dbraw/zinc/87/65/38/392876538.db2.gz FMVJPWYZKDFDFB-VYDXJSESSA-N 2 2 278.440 3.081 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2scnc2C2CC2)CC1 ZINC000495072786 542723189 /nfs/dbraw/zinc/72/31/89/542723189.db2.gz UHXAOKNEWZWXPD-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2scnc2C2CC2)CC1 ZINC000495072786 542723192 /nfs/dbraw/zinc/72/31/92/542723192.db2.gz UHXAOKNEWZWXPD-UHFFFAOYSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936050 393084078 /nfs/dbraw/zinc/08/40/78/393084078.db2.gz OHYYMLWBBJZQHD-SUNYJGFJSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546936050 393084085 /nfs/dbraw/zinc/08/40/85/393084085.db2.gz OHYYMLWBBJZQHD-SUNYJGFJSA-N 2 2 272.436 3.166 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1C ZINC000415041398 393108894 /nfs/dbraw/zinc/10/88/94/393108894.db2.gz LJWYUBANKUEDPW-RBUKOAKNSA-N 2 2 280.415 3.149 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000415033892 393104558 /nfs/dbraw/zinc/10/45/58/393104558.db2.gz HODVQULWURIVOC-GFCCVEGCSA-N 2 2 293.461 3.102 20 0 CGADLP C[NH+](C)CC1([NH2+]CCCCCOc2ccccc2)CCC1 ZINC000467541898 393105523 /nfs/dbraw/zinc/10/55/23/393105523.db2.gz HICSMNPNOWBRKA-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000414755383 393054434 /nfs/dbraw/zinc/05/44/34/393054434.db2.gz HKQUQFZAXVOYLY-VXGBXAGGSA-N 2 2 280.378 3.270 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000414755383 393054442 /nfs/dbraw/zinc/05/44/42/393054442.db2.gz HKQUQFZAXVOYLY-VXGBXAGGSA-N 2 2 280.378 3.270 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546574731 393059249 /nfs/dbraw/zinc/05/92/49/393059249.db2.gz QDMDVZWVDUIETE-KRWDZBQOSA-N 2 2 272.436 3.168 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546574731 393059255 /nfs/dbraw/zinc/05/92/55/393059255.db2.gz QDMDVZWVDUIETE-KRWDZBQOSA-N 2 2 272.436 3.168 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000414953693 393060883 /nfs/dbraw/zinc/06/08/83/393060883.db2.gz KANSEKLLRUAKQI-CYBMUJFWSA-N 2 2 260.381 3.137 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414957065 393064776 /nfs/dbraw/zinc/06/47/76/393064776.db2.gz PLQAHIZUESGUQV-IBGZPJMESA-N 2 2 296.414 3.062 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414965181 393068831 /nfs/dbraw/zinc/06/88/31/393068831.db2.gz ZHIUAIQLYJIAAG-UGSOOPFHSA-N 2 2 299.393 3.118 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414963667 393070043 /nfs/dbraw/zinc/07/00/43/393070043.db2.gz XWTSPSNEJVZEGV-BLLLJJGKSA-N 2 2 288.366 3.316 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000415047738 393110500 /nfs/dbraw/zinc/11/05/00/393110500.db2.gz WHVIIXHXXQSYFO-AWEZNQCLSA-N 2 2 260.406 3.131 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCc3ccccc3C1)CCCC2 ZINC000648577590 393111547 /nfs/dbraw/zinc/11/15/47/393111547.db2.gz OTAPJPGPQMUXNE-QGZVFWFLSA-N 2 2 295.430 3.257 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000415060710 393121915 /nfs/dbraw/zinc/12/19/15/393121915.db2.gz XJBMCNFEZWJADJ-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP CC1(C)Cc2cccc(C[NH2+][C@H](C[NH3+])C3CCCC3)c2O1 ZINC000415072334 393129517 /nfs/dbraw/zinc/12/95/17/393129517.db2.gz XUMZCWWOYFTYGW-MRXNPFEDSA-N 2 2 288.435 3.007 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072507 393130338 /nfs/dbraw/zinc/13/03/38/393130338.db2.gz WHVFYFFIKRNNCI-ZDUSSCGKSA-N 2 2 260.406 3.133 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C3CCC3)cc2)n1C ZINC000580346839 542765985 /nfs/dbraw/zinc/76/59/85/542765985.db2.gz BACXSLDJGMNAIJ-UHFFFAOYSA-N 2 2 269.392 3.286 20 0 CGADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1c(F)cccc1Cl ZINC000415083711 393136265 /nfs/dbraw/zinc/13/62/65/393136265.db2.gz NMHQBLVUIBKCSX-WDEREUQCSA-N 2 2 270.779 3.099 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)sc1C ZINC000415082842 393136331 /nfs/dbraw/zinc/13/63/31/393136331.db2.gz OYQQISYAMFISOC-SMDDNHRTSA-N 2 2 281.469 3.160 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415086705 393138868 /nfs/dbraw/zinc/13/88/68/393138868.db2.gz SNLRNFCMQKDUIA-VHSXEESVSA-N 2 2 273.207 3.048 20 0 CGADLP Cc1csc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090665 393142191 /nfs/dbraw/zinc/14/21/91/393142191.db2.gz ZEKXQVMSHFFCPU-HUUCEWRRSA-N 2 2 287.432 3.034 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(Sc2ccccc2)cc1 ZINC000415105125 393147712 /nfs/dbraw/zinc/14/77/12/393147712.db2.gz HXLZUPJJTPNBLG-UHFFFAOYSA-N 2 2 272.417 3.228 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(Sc2ccccc2)cc1 ZINC000415105125 393147721 /nfs/dbraw/zinc/14/77/21/393147721.db2.gz HXLZUPJJTPNBLG-UHFFFAOYSA-N 2 2 272.417 3.228 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000468511912 393149946 /nfs/dbraw/zinc/14/99/46/393149946.db2.gz PMWUESNTNHIYOA-LEUOFYLZSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000468511912 393149951 /nfs/dbraw/zinc/14/99/51/393149951.db2.gz PMWUESNTNHIYOA-LEUOFYLZSA-N 2 2 272.436 3.253 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000416430017 393311471 /nfs/dbraw/zinc/31/14/71/393311471.db2.gz YWWBQFOGRUFZOM-UHFFFAOYSA-N 2 2 256.353 3.178 20 0 CGADLP Cc1ccccc1C1([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000647224347 393395814 /nfs/dbraw/zinc/39/58/14/393395814.db2.gz CKAQUUJDYNFJHD-UHFFFAOYSA-N 2 2 277.371 3.422 20 0 CGADLP C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417949341 393357348 /nfs/dbraw/zinc/35/73/48/393357348.db2.gz WIMDCGCUBSCLJV-DZGCQCFKSA-N 2 2 285.391 3.090 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000475094268 393370254 /nfs/dbraw/zinc/37/02/54/393370254.db2.gz USCVEBTWUVQUJO-LSDHHAIUSA-N 2 2 290.451 3.261 20 0 CGADLP CCCCc1nc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cs1 ZINC000649417144 393416987 /nfs/dbraw/zinc/41/69/87/393416987.db2.gz YXXPWKGDSFIGDS-JSGCOSHPSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cs1 ZINC000649417144 393416991 /nfs/dbraw/zinc/41/69/91/393416991.db2.gz YXXPWKGDSFIGDS-JSGCOSHPSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C2CC2)cc1 ZINC000419827329 393418656 /nfs/dbraw/zinc/41/86/56/393418656.db2.gz FEZJKJSGFZJZSH-CYBMUJFWSA-N 2 2 298.434 3.214 20 0 CGADLP CC(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000647280056 393422476 /nfs/dbraw/zinc/42/24/76/393422476.db2.gz PSGNZYVPTBRFCZ-INIZCTEOSA-N 2 2 272.396 3.045 20 0 CGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2c[nH+]cn2C)c1 ZINC000649432285 393426147 /nfs/dbraw/zinc/42/61/47/393426147.db2.gz FZEWPIZAQYUZTN-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2c[nH+]cn2C)c1 ZINC000649432285 393426151 /nfs/dbraw/zinc/42/61/51/393426151.db2.gz FZEWPIZAQYUZTN-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP Cc1cc(NC[C@@H]([NH3+])C(C)C)c2cccc(F)c2[nH+]1 ZINC000420180852 393433544 /nfs/dbraw/zinc/43/35/44/393433544.db2.gz DJIVOYPJDGXNAP-CYBMUJFWSA-N 2 2 261.344 3.078 20 0 CGADLP CC[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000479859862 393434334 /nfs/dbraw/zinc/43/43/34/393434334.db2.gz DBEVBSPALHVJCZ-IRXDYDNUSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)c1nc(N2CC[C@@H]([C@H](C)[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420235175 393441440 /nfs/dbraw/zinc/44/14/40/393441440.db2.gz OJYBNTIUZWGION-QWHCGFSZSA-N 2 2 290.455 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC1(C)C ZINC000487265797 393450595 /nfs/dbraw/zinc/45/05/95/393450595.db2.gz OJSFHHGLJITUDT-GUTXKFCHSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC1(C)C ZINC000487265797 393450597 /nfs/dbraw/zinc/45/05/97/393450597.db2.gz OJSFHHGLJITUDT-GUTXKFCHSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000427700233 393457449 /nfs/dbraw/zinc/45/74/49/393457449.db2.gz ZAJYMCXKIKYIGW-IEZWGBDMSA-N 2 2 286.463 3.469 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000427700233 393457451 /nfs/dbraw/zinc/45/74/51/393457451.db2.gz ZAJYMCXKIKYIGW-IEZWGBDMSA-N 2 2 286.463 3.469 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2COc3c(C)cccc3C2)c[nH+]1 ZINC000356507828 393465497 /nfs/dbraw/zinc/46/54/97/393465497.db2.gz RJIOKJUYHCFSFD-SFHVURJKSA-N 2 2 296.414 3.224 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000420323555 393465596 /nfs/dbraw/zinc/46/55/96/393465596.db2.gz YPYOVAIHRXBFJI-UONOGXRCSA-N 2 2 286.341 3.146 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000420323555 393465602 /nfs/dbraw/zinc/46/56/02/393465602.db2.gz YPYOVAIHRXBFJI-UONOGXRCSA-N 2 2 286.341 3.146 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420322211 393465786 /nfs/dbraw/zinc/46/57/86/393465786.db2.gz SJBGBJYBTGSXGT-YIONKMFJSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420322211 393465799 /nfs/dbraw/zinc/46/57/99/393465799.db2.gz SJBGBJYBTGSXGT-YIONKMFJSA-N 2 2 294.826 3.063 20 0 CGADLP C[C@H]1C[NH+](C2CCC2)CC[N@@H+](CCC(C)(C)C)C1 ZINC000429387630 393469826 /nfs/dbraw/zinc/46/98/26/393469826.db2.gz ZVKSFYZKJFBXDB-CQSZACIVSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H]1C[NH+](C2CCC2)CC[N@H+](CCC(C)(C)C)C1 ZINC000429387630 393469832 /nfs/dbraw/zinc/46/98/32/393469832.db2.gz ZVKSFYZKJFBXDB-CQSZACIVSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H]1C[NH+](CCC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC000429387630 393469838 /nfs/dbraw/zinc/46/98/38/393469838.db2.gz ZVKSFYZKJFBXDB-CQSZACIVSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H]1C[NH+](CCC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC000429387630 393469843 /nfs/dbraw/zinc/46/98/43/393469843.db2.gz ZVKSFYZKJFBXDB-CQSZACIVSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420359704 393472373 /nfs/dbraw/zinc/47/23/73/393472373.db2.gz KDJJWWZXGKVBNK-ZDUSSCGKSA-N 2 2 293.436 3.175 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(F)c(F)c1 ZINC000420365758 393475613 /nfs/dbraw/zinc/47/56/13/393475613.db2.gz LMNVXQMTEBHSRB-JNIYBQFBSA-N 2 2 268.351 3.002 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488405881 393500078 /nfs/dbraw/zinc/50/00/78/393500078.db2.gz JOYAQHBLHDTRCC-LSDHHAIUSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000356970406 393504104 /nfs/dbraw/zinc/50/41/04/393504104.db2.gz DHKXPNSXGZGVTQ-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000356970406 393504108 /nfs/dbraw/zinc/50/41/08/393504108.db2.gz DHKXPNSXGZGVTQ-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP COCCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000649595786 393508224 /nfs/dbraw/zinc/50/82/24/393508224.db2.gz ZWWDMXGRYRUFTJ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP COCCCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000649595786 393508226 /nfs/dbraw/zinc/50/82/26/393508226.db2.gz ZWWDMXGRYRUFTJ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649632620 393518281 /nfs/dbraw/zinc/51/82/81/393518281.db2.gz QQWYWGKVNPUVMO-CYBMUJFWSA-N 2 2 296.842 3.268 20 0 CGADLP COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649632620 393518285 /nfs/dbraw/zinc/51/82/85/393518285.db2.gz QQWYWGKVNPUVMO-CYBMUJFWSA-N 2 2 296.842 3.268 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000358111012 393519921 /nfs/dbraw/zinc/51/99/21/393519921.db2.gz NPNDDMUZEZLVDL-COCCGSRQSA-N 2 2 270.420 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000358111012 393519930 /nfs/dbraw/zinc/51/99/30/393519930.db2.gz NPNDDMUZEZLVDL-COCCGSRQSA-N 2 2 270.420 3.307 20 0 CGADLP Cc1ccoc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430125615 393526504 /nfs/dbraw/zinc/52/65/04/393526504.db2.gz CEDYVWRQTIAAAP-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP Cc1ccoc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430125615 393526506 /nfs/dbraw/zinc/52/65/06/393526506.db2.gz CEDYVWRQTIAAAP-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1Cl ZINC000666734231 542811260 /nfs/dbraw/zinc/81/12/60/542811260.db2.gz KYTCMNVWRDEQGV-UHFFFAOYSA-N 2 2 293.625 3.488 20 0 CGADLP c1csc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)c1 ZINC000666855225 542820803 /nfs/dbraw/zinc/82/08/03/542820803.db2.gz GLKHDGGAGLXSRN-NSHDSACASA-N 2 2 293.461 3.103 20 0 CGADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000430721745 393590695 /nfs/dbraw/zinc/59/06/95/393590695.db2.gz CTCSOGREHLZBSK-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(OC)cc1 ZINC000361125496 393680227 /nfs/dbraw/zinc/68/02/27/393680227.db2.gz JPZMZLPTJWYART-JLSDUUJJSA-N 2 2 290.451 3.466 20 0 CGADLP CCCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OC)cc1 ZINC000361125496 393680230 /nfs/dbraw/zinc/68/02/30/393680230.db2.gz JPZMZLPTJWYART-JLSDUUJJSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)[C@@H]1CCC[NH2+]1 ZINC000422943221 393647339 /nfs/dbraw/zinc/64/73/39/393647339.db2.gz XSNBXHIWAZCOPB-LKTVYLICSA-N 2 2 264.800 3.057 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423102562 393650268 /nfs/dbraw/zinc/65/02/68/393650268.db2.gz XBECHPDLMGHZTL-KURKYZTESA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423102562 393650270 /nfs/dbraw/zinc/65/02/70/393650270.db2.gz XBECHPDLMGHZTL-KURKYZTESA-N 3 2 293.499 3.033 20 0 CGADLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1Cl ZINC000423175459 393653097 /nfs/dbraw/zinc/65/30/97/393653097.db2.gz ANVNCLYJSQPSJE-LLVKDONJSA-N 2 2 291.620 3.102 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423263172 393658020 /nfs/dbraw/zinc/65/80/20/393658020.db2.gz NZZJPMSUKRYGKA-NEPJUHHUSA-N 2 2 281.469 3.046 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccc(F)cc1F ZINC000423271548 393658103 /nfs/dbraw/zinc/65/81/03/393658103.db2.gz XYIXIHBYNBUTDR-IUODEOHRSA-N 2 2 270.367 3.379 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423301971 393660492 /nfs/dbraw/zinc/66/04/92/393660492.db2.gz UVCJPRXSLFPMFQ-NWDGAFQWSA-N 2 2 281.469 3.190 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423359535 393664167 /nfs/dbraw/zinc/66/41/67/393664167.db2.gz KUSAULZCWZMYLD-XBFCOCLRSA-N 2 2 252.427 3.177 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CC(C)C1)[NH+](C)C ZINC000443222175 393749788 /nfs/dbraw/zinc/74/97/88/393749788.db2.gz ZIYMQNFFKBHIPX-MAIKSMBNSA-N 2 2 260.425 3.374 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000491484420 393692730 /nfs/dbraw/zinc/69/27/30/393692730.db2.gz JXSQEOGKYWMTDM-RDJZCZTQSA-N 2 2 274.452 3.121 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000491484420 393692731 /nfs/dbraw/zinc/69/27/31/393692731.db2.gz JXSQEOGKYWMTDM-RDJZCZTQSA-N 2 2 274.452 3.121 20 0 CGADLP CCSCC[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443787981 393772410 /nfs/dbraw/zinc/77/24/10/393772410.db2.gz JYBUQAYURYVFPK-ZBFHGGJFSA-N 2 2 280.481 3.329 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494619097 393776365 /nfs/dbraw/zinc/77/63/65/393776365.db2.gz UAHKREWPKNYMFL-BSWAZPDLSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494619097 393776366 /nfs/dbraw/zinc/77/63/66/393776366.db2.gz UAHKREWPKNYMFL-BSWAZPDLSA-N 2 2 264.457 3.274 20 0 CGADLP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501877228 393863501 /nfs/dbraw/zinc/86/35/01/393863501.db2.gz RFMIIHUZLRMBAZ-RTBURBONSA-N 2 2 286.463 3.473 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134435 393875713 /nfs/dbraw/zinc/87/57/13/393875713.db2.gz JEJMZAZSDZBILA-RYUDHWBXSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134435 393875718 /nfs/dbraw/zinc/87/57/18/393875718.db2.gz JEJMZAZSDZBILA-RYUDHWBXSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449555088 393899161 /nfs/dbraw/zinc/89/91/61/393899161.db2.gz FJJBUHWZSHWAHO-WHOHXGKFSA-N 2 2 286.872 3.433 20 0 CGADLP Fc1ccc(CC2([NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000449564036 393905800 /nfs/dbraw/zinc/90/58/00/393905800.db2.gz AMYODXFSIOHPSD-UHFFFAOYSA-N 2 2 295.361 3.338 20 0 CGADLP CC(C)[C@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488682 394004121 /nfs/dbraw/zinc/00/41/21/394004121.db2.gz WDSZPKWWBXVUKT-HOTGVXAUSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488682 394004128 /nfs/dbraw/zinc/00/41/28/394004128.db2.gz WDSZPKWWBXVUKT-HOTGVXAUSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450488682 394004133 /nfs/dbraw/zinc/00/41/33/394004133.db2.gz WDSZPKWWBXVUKT-HOTGVXAUSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450488682 394004136 /nfs/dbraw/zinc/00/41/36/394004136.db2.gz WDSZPKWWBXVUKT-HOTGVXAUSA-N 2 2 252.446 3.227 20 0 CGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)C[C@@H]21 ZINC000450779049 394035844 /nfs/dbraw/zinc/03/58/44/394035844.db2.gz MQDYBCPCPRBJJE-ABAIWWIYSA-N 2 2 287.794 3.029 20 0 CGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)C[C@@H]21 ZINC000450779049 394035846 /nfs/dbraw/zinc/03/58/46/394035846.db2.gz MQDYBCPCPRBJJE-ABAIWWIYSA-N 2 2 287.794 3.029 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000450780694 394035868 /nfs/dbraw/zinc/03/58/68/394035868.db2.gz QZFYYEXMHPAREN-ARFHVFGLSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000450780694 394035874 /nfs/dbraw/zinc/03/58/74/394035874.db2.gz QZFYYEXMHPAREN-ARFHVFGLSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000450780694 394035880 /nfs/dbraw/zinc/03/58/80/394035880.db2.gz QZFYYEXMHPAREN-ARFHVFGLSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000450780694 394035883 /nfs/dbraw/zinc/03/58/83/394035883.db2.gz QZFYYEXMHPAREN-ARFHVFGLSA-N 2 2 250.430 3.124 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)CCC2 ZINC000453127810 394181321 /nfs/dbraw/zinc/18/13/21/394181321.db2.gz WAOBWDNNUYENPG-HZPDHXFCSA-N 2 2 273.424 3.237 20 0 CGADLP CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC1 ZINC000453142968 394186353 /nfs/dbraw/zinc/18/63/53/394186353.db2.gz ZJEJJWCHALHRKG-HNNXBMFYSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)n1C ZINC000667503378 542880962 /nfs/dbraw/zinc/88/09/62/542880962.db2.gz KBEKPMZIRKWTOP-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccccc2C)n1C ZINC000667503378 542880964 /nfs/dbraw/zinc/88/09/64/542880964.db2.gz KBEKPMZIRKWTOP-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000667516740 542882596 /nfs/dbraw/zinc/88/25/96/542882596.db2.gz GRCBEGIHISRBJV-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCC3(CCCCC3)C2)n1C ZINC000667630389 542900832 /nfs/dbraw/zinc/90/08/32/542900832.db2.gz BXILNGAFUAEFCY-UHFFFAOYSA-N 2 2 261.413 3.275 20 0 CGADLP CCCCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691980 542918026 /nfs/dbraw/zinc/91/80/26/542918026.db2.gz UVFRMIJPGJXHDY-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691980 542918030 /nfs/dbraw/zinc/91/80/30/542918030.db2.gz UVFRMIJPGJXHDY-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000667818823 542932821 /nfs/dbraw/zinc/93/28/21/542932821.db2.gz FNABXGNLOZUAHB-OWSLCNJRSA-N 2 2 272.436 3.376 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)n1C ZINC000667996002 542954640 /nfs/dbraw/zinc/95/46/40/542954640.db2.gz ATOZFHAPFFLXTC-SFHVURJKSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)n1C ZINC000667996002 542954644 /nfs/dbraw/zinc/95/46/44/542954644.db2.gz ATOZFHAPFFLXTC-SFHVURJKSA-N 2 2 283.419 3.326 20 0 CGADLP CC1(C)C[NH+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000667996266 542954862 /nfs/dbraw/zinc/95/48/62/542954862.db2.gz JJSCSSJZRSDISQ-UHFFFAOYSA-N 2 2 261.413 3.087 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)n1C ZINC000667972366 542952821 /nfs/dbraw/zinc/95/28/21/542952821.db2.gz NTUHUNDCFYRXAD-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)n1C ZINC000667972366 542952824 /nfs/dbraw/zinc/95/28/24/542952824.db2.gz NTUHUNDCFYRXAD-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP CCc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000668189729 542984910 /nfs/dbraw/zinc/98/49/10/542984910.db2.gz NDAQNYMRDLBFMW-QGZVFWFLSA-N 2 2 283.419 3.280 20 0 CGADLP CCc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000668189729 542984913 /nfs/dbraw/zinc/98/49/13/542984913.db2.gz NDAQNYMRDLBFMW-QGZVFWFLSA-N 2 2 283.419 3.280 20 0 CGADLP c1coc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000668463149 543015780 /nfs/dbraw/zinc/01/57/80/543015780.db2.gz WBDZIZDZCJPEBE-UHFFFAOYSA-N 2 2 281.359 3.307 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668616453 543035940 /nfs/dbraw/zinc/03/59/40/543035940.db2.gz NAFWHNKJOMIEIO-JKSUJKDBSA-N 2 2 250.430 3.195 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H](C3CCC3)C2)[nH+]1 ZINC000668717558 543050622 /nfs/dbraw/zinc/05/06/22/543050622.db2.gz DIMGDUUMHDDOIY-HNNXBMFYSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H](C3CCC3)C2)[nH+]1 ZINC000668717558 543050623 /nfs/dbraw/zinc/05/06/23/543050623.db2.gz DIMGDUUMHDDOIY-HNNXBMFYSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+](CCC2CC2)CC2CC2)[nH+]1 ZINC000668748170 543055518 /nfs/dbraw/zinc/05/55/18/543055518.db2.gz ROSCKZFITJQXIR-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@@H+](CCC2CC2)CC2CC2)[nH+]1 ZINC000668748170 543055519 /nfs/dbraw/zinc/05/55/19/543055519.db2.gz ROSCKZFITJQXIR-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)[C@H](C)O)c[nH+]1 ZINC000668787933 543061535 /nfs/dbraw/zinc/06/15/35/543061535.db2.gz FLYXEKAEJNXCHN-YJBOKZPZSA-N 2 2 284.403 3.034 20 0 CGADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000669681826 543116918 /nfs/dbraw/zinc/11/69/18/543116918.db2.gz LBHGJBAFIWLTFN-QRQLOZEOSA-N 2 2 299.462 3.182 20 0 CGADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000669681826 543116919 /nfs/dbraw/zinc/11/69/19/543116919.db2.gz LBHGJBAFIWLTFN-QRQLOZEOSA-N 2 2 299.462 3.182 20 0 CGADLP COc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1F ZINC000669684639 543117475 /nfs/dbraw/zinc/11/74/75/543117475.db2.gz KZJUCQCCQUFCMN-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928716 543134701 /nfs/dbraw/zinc/13/47/01/543134701.db2.gz LWHKMIUNQRGWET-CVEARBPZSA-N 2 2 289.423 3.012 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)c[nH+]1 ZINC000669928716 543134705 /nfs/dbraw/zinc/13/47/05/543134705.db2.gz LWHKMIUNQRGWET-CVEARBPZSA-N 2 2 289.423 3.012 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+](C)C)cc1 ZINC000671096969 543158594 /nfs/dbraw/zinc/15/85/94/543158594.db2.gz WVSFXNMZXFSRFR-WMLDXEAASA-N 2 2 292.467 3.255 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177168 292088706 /nfs/dbraw/zinc/08/87/06/292088706.db2.gz ANLMTNIUENQDTN-GDBMZVCRSA-N 2 2 258.409 3.022 20 0 CGADLP COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C)[nH+]c2C)c1 ZINC000671767042 543187630 /nfs/dbraw/zinc/18/76/30/543187630.db2.gz VTEGITNORFDRGN-AWEZNQCLSA-N 2 2 285.391 3.455 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048614 543265110 /nfs/dbraw/zinc/26/51/10/543265110.db2.gz YJYYUULXONVAGS-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048614 543265113 /nfs/dbraw/zinc/26/51/13/543265113.db2.gz YJYYUULXONVAGS-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916451 397609512 /nfs/dbraw/zinc/60/95/12/397609512.db2.gz AZFGIQPJHHQRIZ-IFIJOSMWSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916451 397609517 /nfs/dbraw/zinc/60/95/17/397609517.db2.gz AZFGIQPJHHQRIZ-IFIJOSMWSA-N 2 2 294.389 3.490 20 0 CGADLP Clc1ccccc1C1([NH2+]CCn2cc[nH+]c2)CCC1 ZINC000649643896 397718153 /nfs/dbraw/zinc/71/81/53/397718153.db2.gz JHYWUGFAOMMIQU-UHFFFAOYSA-N 2 2 275.783 3.206 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000386644642 397689878 /nfs/dbraw/zinc/68/98/78/397689878.db2.gz OZUXFZGPNXKLAX-MRXNPFEDSA-N 2 2 260.425 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000386644642 397689879 /nfs/dbraw/zinc/68/98/79/397689879.db2.gz OZUXFZGPNXKLAX-MRXNPFEDSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000390654156 397692200 /nfs/dbraw/zinc/69/22/00/397692200.db2.gz OIHXPNPJIGXDJI-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390654156 397692204 /nfs/dbraw/zinc/69/22/04/397692204.db2.gz OIHXPNPJIGXDJI-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000390654160 397692423 /nfs/dbraw/zinc/69/24/23/397692423.db2.gz OIHXPNPJIGXDJI-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390654160 397692426 /nfs/dbraw/zinc/69/24/26/397692426.db2.gz OIHXPNPJIGXDJI-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000650763815 397913071 /nfs/dbraw/zinc/91/30/71/397913071.db2.gz KCRNQHWSZAUZRK-RISCZKNCSA-N 2 2 298.352 3.425 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766828 543362568 /nfs/dbraw/zinc/36/25/68/543362568.db2.gz PTNQCFFVQKJWLC-BBRMVZONSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766828 543362570 /nfs/dbraw/zinc/36/25/70/543362570.db2.gz PTNQCFFVQKJWLC-BBRMVZONSA-N 2 2 258.409 3.093 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675743634 543359943 /nfs/dbraw/zinc/35/99/43/543359943.db2.gz LOQAOILXVJMUAR-ZIAGYGMSSA-N 2 2 266.454 3.143 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675832949 543367948 /nfs/dbraw/zinc/36/79/48/543367948.db2.gz FEVKPJQHFDJWDX-IXDOHACOSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832949 543367949 /nfs/dbraw/zinc/36/79/49/543367949.db2.gz FEVKPJQHFDJWDX-IXDOHACOSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000675921159 543373474 /nfs/dbraw/zinc/37/34/74/543373474.db2.gz VYKSRJYSZSBWCR-IAGOWNOFSA-N 2 2 283.419 3.482 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccs1 ZINC000675924118 543374119 /nfs/dbraw/zinc/37/41/19/543374119.db2.gz CTPMMALDNPTHRK-CHWSQXEVSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccs1 ZINC000675924118 543374121 /nfs/dbraw/zinc/37/41/21/543374121.db2.gz CTPMMALDNPTHRK-CHWSQXEVSA-N 2 2 252.427 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675923932 543374152 /nfs/dbraw/zinc/37/41/52/543374152.db2.gz VOUFGUJYNOJTNA-OIISXLGYSA-N 2 2 283.419 3.482 20 0 CGADLP COC1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186319546 292160151 /nfs/dbraw/zinc/16/01/51/292160151.db2.gz WYDAWIFFOIEGQB-KUQKPQIMSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000677236868 543440925 /nfs/dbraw/zinc/44/09/25/543440925.db2.gz KOENNQMUGYLAQI-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000677236868 543440926 /nfs/dbraw/zinc/44/09/26/543440926.db2.gz KOENNQMUGYLAQI-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000677152720 543437627 /nfs/dbraw/zinc/43/76/27/543437627.db2.gz JUGJNGBWPUHGPY-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000677152720 543437630 /nfs/dbraw/zinc/43/76/30/543437630.db2.gz JUGJNGBWPUHGPY-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749641 543463841 /nfs/dbraw/zinc/46/38/41/543463841.db2.gz PEVBQPNOXDDVDW-OIISXLGYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749641 543463843 /nfs/dbraw/zinc/46/38/43/543463843.db2.gz PEVBQPNOXDDVDW-OIISXLGYSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)(C)OCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677737410 543463431 /nfs/dbraw/zinc/46/34/31/543463431.db2.gz VZHDDUGGSQFKDW-UHFFFAOYSA-N 2 2 291.439 3.163 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235709 543498421 /nfs/dbraw/zinc/49/84/21/543498421.db2.gz YOWBUIOIYSKWOS-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235709 543498422 /nfs/dbraw/zinc/49/84/22/543498422.db2.gz YOWBUIOIYSKWOS-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)c[nH+]1 ZINC000678235726 543498700 /nfs/dbraw/zinc/49/87/00/543498700.db2.gz NVVDRMIUTRIBFN-ZDUSSCGKSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)c[nH+]1 ZINC000678235726 543498702 /nfs/dbraw/zinc/49/87/02/543498702.db2.gz NVVDRMIUTRIBFN-ZDUSSCGKSA-N 2 2 288.420 3.054 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423389409 286023436 /nfs/dbraw/zinc/02/34/36/286023436.db2.gz NKIIMYDDGQNUQA-OIISXLGYSA-N 2 2 290.451 3.130 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000556236019 289379404 /nfs/dbraw/zinc/37/94/04/289379404.db2.gz DXNSGWBGSURSRE-XHSDSOJGSA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000556236019 289379406 /nfs/dbraw/zinc/37/94/06/289379406.db2.gz DXNSGWBGSURSRE-XHSDSOJGSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000400502985 287051151 /nfs/dbraw/zinc/05/11/51/287051151.db2.gz JAIHSAWDLRKTOA-WDMOLILDSA-N 2 2 286.341 3.497 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000080231021 165154616 /nfs/dbraw/zinc/15/46/16/165154616.db2.gz MZRZGCBYEWHVIX-RHSMWYFYSA-N 2 2 296.418 3.250 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000080231021 165154619 /nfs/dbraw/zinc/15/46/19/165154619.db2.gz MZRZGCBYEWHVIX-RHSMWYFYSA-N 2 2 296.418 3.250 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000086509763 165184109 /nfs/dbraw/zinc/18/41/09/165184109.db2.gz KCJHLIYDPZFIGP-LBPRGKRZSA-N 2 2 267.442 3.058 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747147 165196218 /nfs/dbraw/zinc/19/62/18/165196218.db2.gz HLAVRBHMTHEQFX-ZWKOTPCHSA-N 2 2 270.420 3.349 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747147 165196223 /nfs/dbraw/zinc/19/62/23/165196223.db2.gz HLAVRBHMTHEQFX-ZWKOTPCHSA-N 2 2 270.420 3.349 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000091671259 165266311 /nfs/dbraw/zinc/26/63/11/165266311.db2.gz WVBTXRBOKVHDGM-UHFFFAOYSA-N 2 2 288.435 3.001 20 0 CGADLP c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016569 165320190 /nfs/dbraw/zinc/32/01/90/165320190.db2.gz LSVKBYCTBKJIIN-OAHLLOKOSA-N 2 2 293.480 3.231 20 0 CGADLP c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016569 165320193 /nfs/dbraw/zinc/32/01/93/165320193.db2.gz LSVKBYCTBKJIIN-OAHLLOKOSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000163742174 165479770 /nfs/dbraw/zinc/47/97/70/165479770.db2.gz KACWPKCQCUHKHR-OAHLLOKOSA-N 2 2 290.451 3.043 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349212 287133327 /nfs/dbraw/zinc/13/33/27/287133327.db2.gz CCOZISHAPNJJBK-KWBADKCTSA-N 2 2 272.314 3.188 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349212 287133328 /nfs/dbraw/zinc/13/33/28/287133328.db2.gz CCOZISHAPNJJBK-KWBADKCTSA-N 2 2 272.314 3.188 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000019815170 287134308 /nfs/dbraw/zinc/13/43/08/287134308.db2.gz RIGOXUVHHBYMKG-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000019815170 287134312 /nfs/dbraw/zinc/13/43/12/287134312.db2.gz RIGOXUVHHBYMKG-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC000118991869 287163254 /nfs/dbraw/zinc/16/32/54/287163254.db2.gz UFLRECKCACAYBJ-IRXDYDNUSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000123008053 287215036 /nfs/dbraw/zinc/21/50/36/287215036.db2.gz IHXHEHDECQIOFG-QLFBSQMISA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000123008053 287215038 /nfs/dbraw/zinc/21/50/38/287215038.db2.gz IHXHEHDECQIOFG-QLFBSQMISA-N 2 2 258.409 3.271 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(Cl)c1 ZINC000020127020 171012488 /nfs/dbraw/zinc/01/24/88/171012488.db2.gz JZRZNCSOLVYXBT-LLVKDONJSA-N 2 2 270.779 3.226 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccnc1 ZINC000020186671 171050697 /nfs/dbraw/zinc/05/06/97/171050697.db2.gz CPWDUNXUBDQWAH-CYBMUJFWSA-N 2 2 280.375 3.091 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1C ZINC000020506144 171228282 /nfs/dbraw/zinc/22/82/82/171228282.db2.gz DKSJIYATTLRHJV-OAHLLOKOSA-N 2 2 257.381 3.241 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000035275024 172095446 /nfs/dbraw/zinc/09/54/46/172095446.db2.gz FFGAABZFDVOIGO-LLVKDONJSA-N 2 2 283.297 3.080 20 0 CGADLP c1coc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000035661440 172339552 /nfs/dbraw/zinc/33/95/52/172339552.db2.gz LVLJIDYBGZPCOF-KRWDZBQOSA-N 2 2 284.403 3.076 20 0 CGADLP c1coc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000035661440 172339554 /nfs/dbraw/zinc/33/95/54/172339554.db2.gz LVLJIDYBGZPCOF-KRWDZBQOSA-N 2 2 284.403 3.076 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000037157133 172990998 /nfs/dbraw/zinc/99/09/98/172990998.db2.gz BGTGGMYDGXKWAP-GDBMZVCRSA-N 2 2 257.381 3.403 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037167195 173001530 /nfs/dbraw/zinc/00/15/30/173001530.db2.gz JCUZKDMXNGHFKM-WBVHZDCISA-N 2 2 292.467 3.279 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037319616 173120102 /nfs/dbraw/zinc/12/01/02/173120102.db2.gz UINYXOKZKUHWAI-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000128108589 287303935 /nfs/dbraw/zinc/30/39/35/287303935.db2.gz SRRHPYBITXZLEM-MSOLQXFVSA-N 2 2 292.467 3.330 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414952112 287317541 /nfs/dbraw/zinc/31/75/41/287317541.db2.gz HUFLNGZYLAMSAN-KBRIMQKVSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000122346416 416503225 /nfs/dbraw/zinc/50/32/25/416503225.db2.gz DXTCQZHEJXMASH-RWSFTLGLSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000122346416 416503230 /nfs/dbraw/zinc/50/32/30/416503230.db2.gz DXTCQZHEJXMASH-RWSFTLGLSA-N 2 2 268.351 3.085 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000124517014 416507774 /nfs/dbraw/zinc/50/77/74/416507774.db2.gz FBFOMHSLJBKCOV-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000124517014 416507777 /nfs/dbraw/zinc/50/77/77/416507777.db2.gz FBFOMHSLJBKCOV-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000130239972 287348509 /nfs/dbraw/zinc/34/85/09/287348509.db2.gz RHFCFIYXIDHRJT-INMHGKMJSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000130239972 287348511 /nfs/dbraw/zinc/34/85/11/287348511.db2.gz RHFCFIYXIDHRJT-INMHGKMJSA-N 2 2 272.436 3.395 20 0 CGADLP Cc1occc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680111577 543685705 /nfs/dbraw/zinc/68/57/05/543685705.db2.gz UPVMLMFLZCJFKC-UHFFFAOYSA-N 2 2 273.361 3.125 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000679815753 543661560 /nfs/dbraw/zinc/66/15/60/543661560.db2.gz CXIQBDXNYJCZTM-PXNSSMCTSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[N@H+]1CCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000679815753 543661562 /nfs/dbraw/zinc/66/15/62/543661562.db2.gz CXIQBDXNYJCZTM-PXNSSMCTSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc([C@H]2CC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000130410298 287354409 /nfs/dbraw/zinc/35/44/09/287354409.db2.gz TYGPHNDRIDRHHX-ZWKOTPCHSA-N 2 2 272.436 3.398 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681388837 543785621 /nfs/dbraw/zinc/78/56/21/543785621.db2.gz BYZFQRSKOBYRKJ-YPMHNXCESA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681388837 543785623 /nfs/dbraw/zinc/78/56/23/543785623.db2.gz BYZFQRSKOBYRKJ-YPMHNXCESA-N 2 2 278.362 3.181 20 0 CGADLP Cc1cccn2c(C[NH2+]C(C)(C)CC(F)(F)F)c[nH+]c12 ZINC000681988950 543813897 /nfs/dbraw/zinc/81/38/97/543813897.db2.gz LXWCDIDDGNJGRZ-UHFFFAOYSA-N 2 2 285.313 3.463 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133760 543827574 /nfs/dbraw/zinc/82/75/74/543827574.db2.gz QAOKYDGWWVTHRF-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133760 543827575 /nfs/dbraw/zinc/82/75/75/543827575.db2.gz QAOKYDGWWVTHRF-SJORKVTESA-N 2 2 276.399 3.351 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000130780456 287363004 /nfs/dbraw/zinc/36/30/04/287363004.db2.gz RTWSEYCODMXNKL-OAHLLOKOSA-N 2 2 257.381 3.193 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000130780456 287363005 /nfs/dbraw/zinc/36/30/05/287363005.db2.gz RTWSEYCODMXNKL-OAHLLOKOSA-N 2 2 257.381 3.193 20 0 CGADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000682143766 543829457 /nfs/dbraw/zinc/82/94/57/543829457.db2.gz VJYNGYURZFQREG-YOEHRIQHSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H](C[NH2+]Cc1cnc(C2CCC2)s1)Cn1cc[nH+]c1 ZINC000131388134 287377946 /nfs/dbraw/zinc/37/79/46/287377946.db2.gz CJPPTAFIQCQLPY-GFCCVEGCSA-N 2 2 290.436 3.033 20 0 CGADLP Cc1ccnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000683023113 543890186 /nfs/dbraw/zinc/89/01/86/543890186.db2.gz ZDLXLRQOEAWSBP-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2cnccc2C)c[nH+]1 ZINC000684389865 543992221 /nfs/dbraw/zinc/99/22/21/543992221.db2.gz XOLPVRRWRAPKRJ-OAHLLOKOSA-N 2 2 269.392 3.377 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CCC4)CC3)n2c1 ZINC000685443961 544070912 /nfs/dbraw/zinc/07/09/12/544070912.db2.gz ISAHUAXWJCGJEX-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470733 544077603 /nfs/dbraw/zinc/07/76/03/544077603.db2.gz NHKXJVNYBKZXBU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470733 544077607 /nfs/dbraw/zinc/07/76/07/544077607.db2.gz NHKXJVNYBKZXBU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470733 544077610 /nfs/dbraw/zinc/07/76/10/544077610.db2.gz NHKXJVNYBKZXBU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470733 544077613 /nfs/dbraw/zinc/07/76/13/544077613.db2.gz NHKXJVNYBKZXBU-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP CO[C@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909013 419031892 /nfs/dbraw/zinc/03/18/92/419031892.db2.gz LISCRGCXANSVBH-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP CO[C@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909013 419031896 /nfs/dbraw/zinc/03/18/96/419031896.db2.gz LISCRGCXANSVBH-QZTJIDSGSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)=CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000659975038 419050295 /nfs/dbraw/zinc/05/02/95/419050295.db2.gz UDOPIMODXAWUMR-CVEARBPZSA-N 2 2 250.430 3.290 20 0 CGADLP CC(C)=CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000659975038 419050299 /nfs/dbraw/zinc/05/02/99/419050299.db2.gz UDOPIMODXAWUMR-CVEARBPZSA-N 2 2 250.430 3.290 20 0 CGADLP CC(C)=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000659975038 419050302 /nfs/dbraw/zinc/05/03/02/419050302.db2.gz UDOPIMODXAWUMR-CVEARBPZSA-N 2 2 250.430 3.290 20 0 CGADLP CC(C)=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000659975038 419050304 /nfs/dbraw/zinc/05/03/04/419050304.db2.gz UDOPIMODXAWUMR-CVEARBPZSA-N 2 2 250.430 3.290 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]1 ZINC000665238236 419089171 /nfs/dbraw/zinc/08/91/71/419089171.db2.gz UQODEEGWYQESHI-CABCVRRESA-N 2 2 258.365 3.053 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000665251192 419094425 /nfs/dbraw/zinc/09/44/25/419094425.db2.gz JTLBFGPGRVZECT-IAOVAPTHSA-N 2 2 270.376 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)(C)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665261625 419094861 /nfs/dbraw/zinc/09/48/61/419094861.db2.gz IFHILZMKZRXFQF-HOTGVXAUSA-N 2 2 294.414 3.216 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)co1 ZINC000660204777 419100142 /nfs/dbraw/zinc/10/01/42/419100142.db2.gz PSOKXSDUDULQEJ-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)o1 ZINC000665278865 419100991 /nfs/dbraw/zinc/10/09/91/419100991.db2.gz QBSHUFACXKXJCH-PWZRNIHTSA-N 2 2 274.408 3.161 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1F ZINC000665280147 419101007 /nfs/dbraw/zinc/10/10/07/419101007.db2.gz UOJDQAWPHMQAJQ-VROQLPPWSA-N 2 2 282.790 3.272 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000660239758 419107455 /nfs/dbraw/zinc/10/74/55/419107455.db2.gz SRUJYMSVSBPQJN-KBXCAEBGSA-N 2 2 299.418 3.338 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000665295730 419108714 /nfs/dbraw/zinc/10/87/14/419108714.db2.gz IIYKMDBEGHFEPI-BDAKNGLRSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000665296481 419109110 /nfs/dbraw/zinc/10/91/10/419109110.db2.gz SZYFBPYRMPJJNI-UFBFGSQYSA-N 2 2 273.207 3.178 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000665296344 419109457 /nfs/dbraw/zinc/10/94/57/419109457.db2.gz RHGMXSSCQPDRNO-LRDDRELGSA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000665295731 419109514 /nfs/dbraw/zinc/10/95/14/419109514.db2.gz IIYKMDBEGHFEPI-DTWKUNHWSA-N 2 2 261.196 3.252 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000655848221 419118423 /nfs/dbraw/zinc/11/84/23/419118423.db2.gz HMPHBAMXUPPVAK-RRQGHBQHSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000655848221 419118425 /nfs/dbraw/zinc/11/84/25/419118425.db2.gz HMPHBAMXUPPVAK-RRQGHBQHSA-N 2 2 276.399 3.493 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590615 419056812 /nfs/dbraw/zinc/05/68/12/419056812.db2.gz OHJOARODCFJIOL-LSDHHAIUSA-N 2 2 263.429 3.426 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590615 419056819 /nfs/dbraw/zinc/05/68/19/419056819.db2.gz OHJOARODCFJIOL-LSDHHAIUSA-N 2 2 263.429 3.426 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000655856352 419123528 /nfs/dbraw/zinc/12/35/28/419123528.db2.gz MXXYNUKWELOZEO-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccnc2c1 ZINC000655856352 419123531 /nfs/dbraw/zinc/12/35/31/419123531.db2.gz MXXYNUKWELOZEO-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000655688150 419065032 /nfs/dbraw/zinc/06/50/32/419065032.db2.gz NFWFVMOSDQBJSD-HOCLYGCPSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000660065231 419069380 /nfs/dbraw/zinc/06/93/80/419069380.db2.gz RKTIQZGYCZCIFV-HLLBOEOZSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2CC=CC2)C1 ZINC000660065231 419069382 /nfs/dbraw/zinc/06/93/82/419069382.db2.gz RKTIQZGYCZCIFV-HLLBOEOZSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660065231 419069385 /nfs/dbraw/zinc/06/93/85/419069385.db2.gz RKTIQZGYCZCIFV-HLLBOEOZSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660065231 419069387 /nfs/dbraw/zinc/06/93/87/419069387.db2.gz RKTIQZGYCZCIFV-HLLBOEOZSA-N 2 2 262.441 3.290 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000656276181 419164282 /nfs/dbraw/zinc/16/42/82/419164282.db2.gz BOBYSTHNRKVAIK-HCXYKTFWSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000656276181 419164284 /nfs/dbraw/zinc/16/42/84/419164284.db2.gz BOBYSTHNRKVAIK-HCXYKTFWSA-N 2 2 284.447 3.397 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000656279052 419165725 /nfs/dbraw/zinc/16/57/25/419165725.db2.gz VIKGOXYSDXIFDI-VGWMRTNUSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CS1 ZINC000656279052 419165730 /nfs/dbraw/zinc/16/57/30/419165730.db2.gz VIKGOXYSDXIFDI-VGWMRTNUSA-N 2 2 282.497 3.123 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cc(C(C)C)ccc2OC)CC1 ZINC000655937826 419128351 /nfs/dbraw/zinc/12/83/51/419128351.db2.gz GGOMUTIXDJNBJM-UHFFFAOYSA-N 2 2 276.424 3.002 20 0 CGADLP CC(C)c1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657323091 419250672 /nfs/dbraw/zinc/25/06/72/419250672.db2.gz RFEWSKGYTJLNFF-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C2CCC2)CC1)Cn1cc[nH+]c1 ZINC000657334192 419252797 /nfs/dbraw/zinc/25/27/97/419252797.db2.gz PANYZILSGWTKSP-ODIFPOPNSA-N 2 2 275.440 3.468 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000656675370 419197488 /nfs/dbraw/zinc/19/74/88/419197488.db2.gz DFCBLZRREUTNFB-GDBMZVCRSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000656675370 419197491 /nfs/dbraw/zinc/19/74/91/419197491.db2.gz DFCBLZRREUTNFB-GDBMZVCRSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675204 419198263 /nfs/dbraw/zinc/19/82/63/419198263.db2.gz AOMSXQQMCZQZNP-AAEUAGOBSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675204 419198265 /nfs/dbraw/zinc/19/82/65/419198265.db2.gz AOMSXQQMCZQZNP-AAEUAGOBSA-N 2 2 282.378 3.488 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(C2CCCC2)c1 ZINC000656784570 419218013 /nfs/dbraw/zinc/21/80/13/419218013.db2.gz BZOOHFVOFXDFKG-KRWDZBQOSA-N 2 2 258.409 3.186 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2Cl)CCCC1 ZINC000656788388 419219365 /nfs/dbraw/zinc/21/93/65/419219365.db2.gz MNEMLTMDBYNYDT-UHFFFAOYSA-N 2 2 273.207 3.355 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512630 419268904 /nfs/dbraw/zinc/26/89/04/419268904.db2.gz LLFBHDPMZUYLFD-INIZCTEOSA-N 2 2 264.388 3.304 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661512630 419268906 /nfs/dbraw/zinc/26/89/06/419268906.db2.gz LLFBHDPMZUYLFD-INIZCTEOSA-N 2 2 264.388 3.304 20 0 CGADLP Fc1ccc([C@H]2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657457506 419283676 /nfs/dbraw/zinc/28/36/76/419283676.db2.gz XBSHZWTVLUVOJZ-GOEBONIOSA-N 2 2 299.393 3.394 20 0 CGADLP COCCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000657526231 419298704 /nfs/dbraw/zinc/29/87/04/419298704.db2.gz DMQYVULUSYORQI-INIZCTEOSA-N 2 2 296.499 3.436 20 0 CGADLP COCCC1(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000657526231 419298706 /nfs/dbraw/zinc/29/87/06/419298706.db2.gz DMQYVULUSYORQI-INIZCTEOSA-N 2 2 296.499 3.436 20 0 CGADLP CC(C)(F)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657645184 419317981 /nfs/dbraw/zinc/31/79/81/419317981.db2.gz MWOHNCWKSSRWOB-UHFFFAOYSA-N 2 2 267.373 3.162 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(C(F)F)CC2)c[nH+]1 ZINC000353653146 228140318 /nfs/dbraw/zinc/14/03/18/228140318.db2.gz SSUKDYVJPOWPCW-UHFFFAOYSA-N 2 2 268.351 3.300 20 0 CGADLP CC1(C)[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(F)F ZINC000657736913 419334151 /nfs/dbraw/zinc/33/41/51/419334151.db2.gz GWWKYPCIVYVQLT-LBPRGKRZSA-N 2 2 297.374 3.315 20 0 CGADLP COc1cccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1C ZINC000657805327 419361338 /nfs/dbraw/zinc/36/13/38/419361338.db2.gz VQIHFHGZBDXWBH-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304338 419387647 /nfs/dbraw/zinc/38/76/47/419387647.db2.gz OBZJRZZUXBZONS-XGTXGMFGSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304338 419387650 /nfs/dbraw/zinc/38/76/50/419387650.db2.gz OBZJRZZUXBZONS-XGTXGMFGSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000657901587 419425913 /nfs/dbraw/zinc/42/59/13/419425913.db2.gz FCFDFLRAUBDIEX-LKAFINOVSA-N 2 2 262.441 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@H+]1C1CC1 ZINC000657901587 419425922 /nfs/dbraw/zinc/42/59/22/419425922.db2.gz FCFDFLRAUBDIEX-LKAFINOVSA-N 2 2 262.441 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902489 419426627 /nfs/dbraw/zinc/42/66/27/419426627.db2.gz MSMNFWWOVDFZHJ-GMXVVIOVSA-N 2 2 295.377 3.295 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902489 419426633 /nfs/dbraw/zinc/42/66/33/419426633.db2.gz MSMNFWWOVDFZHJ-GMXVVIOVSA-N 2 2 295.377 3.295 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(CF)(CF)C1 ZINC000657940742 419453653 /nfs/dbraw/zinc/45/36/53/419453653.db2.gz MIWJHARKQPBWTK-CQSZACIVSA-N 2 2 296.405 3.184 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(CF)(CF)C1 ZINC000657940742 419453662 /nfs/dbraw/zinc/45/36/62/419453662.db2.gz MIWJHARKQPBWTK-CQSZACIVSA-N 2 2 296.405 3.184 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058149 419528663 /nfs/dbraw/zinc/52/86/63/419528663.db2.gz DCIMLBSQAQUMRV-HZPDHXFCSA-N 2 2 275.440 3.385 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058149 419528672 /nfs/dbraw/zinc/52/86/72/419528672.db2.gz DCIMLBSQAQUMRV-HZPDHXFCSA-N 2 2 275.440 3.385 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057961 419528960 /nfs/dbraw/zinc/52/89/60/419528960.db2.gz QKUZFJAVIIEVEY-ZIAGYGMSSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057961 419528970 /nfs/dbraw/zinc/52/89/70/419528970.db2.gz QKUZFJAVIIEVEY-ZIAGYGMSSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658061954 419534859 /nfs/dbraw/zinc/53/48/59/419534859.db2.gz PYYRUXNALQJUKX-UKRRQHHQSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658061954 419534870 /nfs/dbraw/zinc/53/48/70/419534870.db2.gz PYYRUXNALQJUKX-UKRRQHHQSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000658062488 419535802 /nfs/dbraw/zinc/53/58/02/419535802.db2.gz RZEAMDMTNGVEMP-BPCQOVAHSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000658062488 419535806 /nfs/dbraw/zinc/53/58/06/419535806.db2.gz RZEAMDMTNGVEMP-BPCQOVAHSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658062007 419536610 /nfs/dbraw/zinc/53/66/10/419536610.db2.gz QSTFXEPHSAAOCO-SJORKVTESA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658062007 419536618 /nfs/dbraw/zinc/53/66/18/419536618.db2.gz QSTFXEPHSAAOCO-SJORKVTESA-N 2 2 287.451 3.385 20 0 CGADLP C[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CCc2ccccc21 ZINC000663502162 419636968 /nfs/dbraw/zinc/63/69/68/419636968.db2.gz CVUQFHXHUOZKRJ-HNNXBMFYSA-N 2 2 260.425 3.036 20 0 CGADLP C[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CCc2ccccc21 ZINC000663502162 419636970 /nfs/dbraw/zinc/63/69/70/419636970.db2.gz CVUQFHXHUOZKRJ-HNNXBMFYSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000658095321 419574631 /nfs/dbraw/zinc/57/46/31/419574631.db2.gz GOIPJEPMWRUCTB-RRFJBIMHSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000658095321 419574636 /nfs/dbraw/zinc/57/46/36/419574636.db2.gz GOIPJEPMWRUCTB-RRFJBIMHSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000658095315 419575314 /nfs/dbraw/zinc/57/53/14/419575314.db2.gz GKJBHNCHYGMJAR-LSDHHAIUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000658095315 419575316 /nfs/dbraw/zinc/57/53/16/419575316.db2.gz GKJBHNCHYGMJAR-LSDHHAIUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000658119169 419595906 /nfs/dbraw/zinc/59/59/06/419595906.db2.gz CIKLHSKBMHXVKU-LZLYRXPVSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000658119169 419595914 /nfs/dbraw/zinc/59/59/14/419595914.db2.gz CIKLHSKBMHXVKU-LZLYRXPVSA-N 2 2 289.467 3.318 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663466519 419622754 /nfs/dbraw/zinc/62/27/54/419622754.db2.gz UYZDFPFYECXCQC-IUODEOHRSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000663466519 419622762 /nfs/dbraw/zinc/62/27/62/419622762.db2.gz UYZDFPFYECXCQC-IUODEOHRSA-N 2 2 293.480 3.224 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221615 419679316 /nfs/dbraw/zinc/67/93/16/419679316.db2.gz SRTPMDSLOBMNSS-JKSUJKDBSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221615 419679321 /nfs/dbraw/zinc/67/93/21/419679321.db2.gz SRTPMDSLOBMNSS-JKSUJKDBSA-N 2 2 294.389 3.286 20 0 CGADLP CCN(CCC[NH+]1CCCC1)c1[nH+]ccc2c(N)cccc21 ZINC000663842043 419737439 /nfs/dbraw/zinc/73/74/39/419737439.db2.gz NBDSDUWQKSOQHC-UHFFFAOYSA-N 2 2 298.434 3.129 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287955 419739710 /nfs/dbraw/zinc/73/97/10/419739710.db2.gz PILQHZMGEPEVRK-DOTOQJQBSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287955 419739720 /nfs/dbraw/zinc/73/97/20/419739720.db2.gz PILQHZMGEPEVRK-DOTOQJQBSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)Cc2cccs2)C1 ZINC000658288251 419739767 /nfs/dbraw/zinc/73/97/67/419739767.db2.gz SCFSHJKYPSQIBN-KGLIPLIRSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)Cc2cccs2)C1 ZINC000658288251 419739771 /nfs/dbraw/zinc/73/97/71/419739771.db2.gz SCFSHJKYPSQIBN-KGLIPLIRSA-N 2 2 266.454 3.143 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000663975872 419781950 /nfs/dbraw/zinc/78/19/50/419781950.db2.gz VVWOCKSFHYKLGQ-YHWZYXNKSA-N 2 2 299.340 3.446 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000663975872 419781956 /nfs/dbraw/zinc/78/19/56/419781956.db2.gz VVWOCKSFHYKLGQ-YHWZYXNKSA-N 2 2 299.340 3.446 20 0 CGADLP Cc1[nH+]c2cc(OCCC[NH+]3CCCCC3)ccc2n1C ZINC000664046790 419811615 /nfs/dbraw/zinc/81/16/15/419811615.db2.gz QIIIJZDFAKUQKN-UHFFFAOYSA-N 2 2 287.407 3.137 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc2C1 ZINC000179453533 260048450 /nfs/dbraw/zinc/04/84/50/260048450.db2.gz HVCNNUYBFUMIKT-SFHVURJKSA-N 2 2 283.419 3.153 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc2C1 ZINC000179453533 260048452 /nfs/dbraw/zinc/04/84/52/260048452.db2.gz HVCNNUYBFUMIKT-SFHVURJKSA-N 2 2 283.419 3.153 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000179476413 260050875 /nfs/dbraw/zinc/05/08/75/260050875.db2.gz RZUVNEVESSSUBI-KXBFYZLASA-N 2 2 295.430 3.455 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000223232859 260285837 /nfs/dbraw/zinc/28/58/37/260285837.db2.gz QCVRNDFPHPDXAI-KBMXLJTQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000223232859 260285839 /nfs/dbraw/zinc/28/58/39/260285839.db2.gz QCVRNDFPHPDXAI-KBMXLJTQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000035258560 270027610 /nfs/dbraw/zinc/02/76/10/270027610.db2.gz HKXUMGSBALGYSL-ZWKOTPCHSA-N 2 2 274.452 3.110 20 0 CGADLP CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904527 270028415 /nfs/dbraw/zinc/02/84/15/270028415.db2.gz TUXCWOJJNKBTCT-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904527 270028416 /nfs/dbraw/zinc/02/84/16/270028416.db2.gz TUXCWOJJNKBTCT-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685426 270037359 /nfs/dbraw/zinc/03/73/59/270037359.db2.gz MAMFTBMFWUZEEL-JKSUJKDBSA-N 2 2 272.436 3.499 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685426 270037360 /nfs/dbraw/zinc/03/73/60/270037360.db2.gz MAMFTBMFWUZEEL-JKSUJKDBSA-N 2 2 272.436 3.499 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045106307 270038091 /nfs/dbraw/zinc/03/80/91/270038091.db2.gz JUUYNRBMEPKVCA-HNNXBMFYSA-N 2 2 287.407 3.331 20 0 CGADLP Clc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868650 270049046 /nfs/dbraw/zinc/04/90/46/270049046.db2.gz VPVQCVJJWMEQKL-ZIAGYGMSSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868650 270049048 /nfs/dbraw/zinc/04/90/48/270049048.db2.gz VPVQCVJJWMEQKL-ZIAGYGMSSA-N 2 2 264.800 3.056 20 0 CGADLP CCc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000188769925 270069943 /nfs/dbraw/zinc/06/99/43/270069943.db2.gz SZJKTLCXZIZXGF-UHFFFAOYSA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000223026844 270086173 /nfs/dbraw/zinc/08/61/73/270086173.db2.gz LCVQONYPYYXMFJ-CQSZACIVSA-N 2 2 280.843 3.347 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222698998 270086206 /nfs/dbraw/zinc/08/62/06/270086206.db2.gz JMFNMZAUCOYETF-NVXWUHKLSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222698998 270086207 /nfs/dbraw/zinc/08/62/07/270086207.db2.gz JMFNMZAUCOYETF-NVXWUHKLSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000321957085 270093436 /nfs/dbraw/zinc/09/34/36/270093436.db2.gz XZIBUAZAWPVGDT-AESZEHBQSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000321957085 270093437 /nfs/dbraw/zinc/09/34/37/270093437.db2.gz XZIBUAZAWPVGDT-AESZEHBQSA-N 2 2 260.425 3.141 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000312312232 270092467 /nfs/dbraw/zinc/09/24/67/270092467.db2.gz ZZECTWBWRWPORU-BHYGNILZSA-N 2 2 292.492 3.411 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322739292 270094223 /nfs/dbraw/zinc/09/42/23/270094223.db2.gz XVMAMHRUNFEATM-AGUYFDCRSA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322739292 270094224 /nfs/dbraw/zinc/09/42/24/270094224.db2.gz XVMAMHRUNFEATM-AGUYFDCRSA-N 2 2 297.402 3.281 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H](C)C2 ZINC000526108441 270123063 /nfs/dbraw/zinc/12/30/63/270123063.db2.gz WOBZIGHGKCOMPK-PBHICJAKSA-N 2 2 272.436 3.302 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000527108418 270125386 /nfs/dbraw/zinc/12/53/86/270125386.db2.gz OPURLLRPXLVJJY-HNNXBMFYSA-N 2 2 276.399 3.171 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000527108418 270125387 /nfs/dbraw/zinc/12/53/87/270125387.db2.gz OPURLLRPXLVJJY-HNNXBMFYSA-N 2 2 276.399 3.171 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527752033 270134534 /nfs/dbraw/zinc/13/45/34/270134534.db2.gz LGTSCRJFOZFAEQ-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527752033 270134535 /nfs/dbraw/zinc/13/45/35/270134535.db2.gz LGTSCRJFOZFAEQ-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP COCC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751445 270134589 /nfs/dbraw/zinc/13/45/89/270134589.db2.gz HQAAFYIRYYSURJ-LEOMRAHMSA-N 2 2 294.483 3.188 20 0 CGADLP COCC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751445 270134590 /nfs/dbraw/zinc/13/45/90/270134590.db2.gz HQAAFYIRYYSURJ-LEOMRAHMSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC1(C)C ZINC000527809732 270137502 /nfs/dbraw/zinc/13/75/02/270137502.db2.gz MYZBJIVIJHRHCL-AEGPPILISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC1(C)C ZINC000527809732 270137503 /nfs/dbraw/zinc/13/75/03/270137503.db2.gz MYZBJIVIJHRHCL-AEGPPILISA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808938 270137787 /nfs/dbraw/zinc/13/77/87/270137787.db2.gz RHESSAIOUAEXQL-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808938 270137788 /nfs/dbraw/zinc/13/77/88/270137788.db2.gz RHESSAIOUAEXQL-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849968 270139701 /nfs/dbraw/zinc/13/97/01/270139701.db2.gz JOJJMNRZTVIHJB-XHDPSFHLSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849968 270139702 /nfs/dbraw/zinc/13/97/02/270139702.db2.gz JOJJMNRZTVIHJB-XHDPSFHLSA-N 2 2 282.790 3.150 20 0 CGADLP c1c[nH+]c([C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)[nH]1 ZINC000527879750 270141655 /nfs/dbraw/zinc/14/16/55/270141655.db2.gz JYSUNNAIWTXXMW-CQSZACIVSA-N 2 2 278.359 3.342 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002166 270150185 /nfs/dbraw/zinc/15/01/85/270150185.db2.gz PHJVFTZNKWLIMM-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002166 270150186 /nfs/dbraw/zinc/15/01/86/270150186.db2.gz PHJVFTZNKWLIMM-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528004805 270150615 /nfs/dbraw/zinc/15/06/15/270150615.db2.gz XNABYLAPQGJEJS-NXYGQSRBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528004805 270150616 /nfs/dbraw/zinc/15/06/16/270150616.db2.gz XNABYLAPQGJEJS-NXYGQSRBSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000528015822 270151433 /nfs/dbraw/zinc/15/14/33/270151433.db2.gz ZCNLSYFDTGZHBS-RHSMWYFYSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000528015822 270151434 /nfs/dbraw/zinc/15/14/34/270151434.db2.gz ZCNLSYFDTGZHBS-RHSMWYFYSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC(F)(F)C1 ZINC000529534816 270183260 /nfs/dbraw/zinc/18/32/60/270183260.db2.gz QJMCZVBYEICTNF-GFCCVEGCSA-N 2 2 295.377 3.074 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000529668180 270187695 /nfs/dbraw/zinc/18/76/95/270187695.db2.gz DSHFNZBLQZEHMT-MAUKXSAKSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000529668180 270187696 /nfs/dbraw/zinc/18/76/96/270187696.db2.gz DSHFNZBLQZEHMT-MAUKXSAKSA-N 2 2 272.436 3.397 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214233 270195682 /nfs/dbraw/zinc/19/56/82/270195682.db2.gz CNCNJGNGTCBAGS-CVEARBPZSA-N 2 2 274.383 3.077 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000530218939 270196105 /nfs/dbraw/zinc/19/61/05/270196105.db2.gz KGDSQQHURKFAQV-HOCLYGCPSA-N 2 2 258.409 3.239 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncccc1F ZINC000530220768 270196379 /nfs/dbraw/zinc/19/63/79/270196379.db2.gz CQMUPSCZOZEJSM-RDBSUJKOSA-N 2 2 279.403 3.182 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000530223596 270196650 /nfs/dbraw/zinc/19/66/50/270196650.db2.gz NYQLYVXPSWEHKH-UKRRQHHQSA-N 2 2 293.842 3.089 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000530223596 270196651 /nfs/dbraw/zinc/19/66/51/270196651.db2.gz NYQLYVXPSWEHKH-UKRRQHHQSA-N 2 2 293.842 3.089 20 0 CGADLP CC1(C)CC(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000530225668 270196729 /nfs/dbraw/zinc/19/67/29/270196729.db2.gz VIUUVHWUVBQWOV-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000530225668 270196730 /nfs/dbraw/zinc/19/67/30/270196730.db2.gz VIUUVHWUVBQWOV-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226335 270196817 /nfs/dbraw/zinc/19/68/17/270196817.db2.gz ZXXBPJDSPGGQBV-GJZGRUSLSA-N 2 2 276.811 3.202 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000531684658 270208490 /nfs/dbraw/zinc/20/84/90/270208490.db2.gz BBHASWXDOKFFDW-GFCCVEGCSA-N 2 2 292.452 3.341 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531685836 270208546 /nfs/dbraw/zinc/20/85/46/270208546.db2.gz PYAOARMMCQTGKN-XHDPSFHLSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000531682499 270208587 /nfs/dbraw/zinc/20/85/87/270208587.db2.gz JEKKNEKVCQSGEH-VQIMIIECSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000531682499 270208588 /nfs/dbraw/zinc/20/85/88/270208588.db2.gz JEKKNEKVCQSGEH-VQIMIIECSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531685831 270208621 /nfs/dbraw/zinc/20/86/21/270208621.db2.gz PYAOARMMCQTGKN-ABAIWWIYSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941240 270210831 /nfs/dbraw/zinc/21/08/31/270210831.db2.gz VJXGXPRDNZUTRB-YOEHRIQHSA-N 2 2 274.452 3.066 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941240 270210832 /nfs/dbraw/zinc/21/08/32/270210832.db2.gz VJXGXPRDNZUTRB-YOEHRIQHSA-N 2 2 274.452 3.066 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000531948115 270211246 /nfs/dbraw/zinc/21/12/46/270211246.db2.gz BBAYLGVOWCAYMD-DLBZAZTESA-N 2 2 282.472 3.068 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531948115 270211247 /nfs/dbraw/zinc/21/12/47/270211247.db2.gz BBAYLGVOWCAYMD-DLBZAZTESA-N 2 2 282.472 3.068 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000531955034 270211310 /nfs/dbraw/zinc/21/13/10/270211310.db2.gz RBKSXIONOCVIHP-XOUADPBQSA-N 2 2 276.424 3.223 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)[C@H](C)C1 ZINC000531955034 270211311 /nfs/dbraw/zinc/21/13/11/270211311.db2.gz RBKSXIONOCVIHP-XOUADPBQSA-N 2 2 276.424 3.223 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000531950307 270211343 /nfs/dbraw/zinc/21/13/43/270211343.db2.gz HQHIJICCRXGLAN-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000531950307 270211344 /nfs/dbraw/zinc/21/13/44/270211344.db2.gz HQHIJICCRXGLAN-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000531983852 270212157 /nfs/dbraw/zinc/21/21/57/270212157.db2.gz CBAAGRVYTMVBGT-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000531983852 270212158 /nfs/dbraw/zinc/21/21/58/270212158.db2.gz CBAAGRVYTMVBGT-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984639 270212408 /nfs/dbraw/zinc/21/24/08/270212408.db2.gz JASGCMMTSXTBLK-QAPCUYQASA-N 2 2 292.442 3.324 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984639 270212409 /nfs/dbraw/zinc/21/24/09/270212409.db2.gz JASGCMMTSXTBLK-QAPCUYQASA-N 2 2 292.442 3.324 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984062 270212543 /nfs/dbraw/zinc/21/25/43/270212543.db2.gz KJPHGRNDJSNIPZ-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984062 270212544 /nfs/dbraw/zinc/21/25/44/270212544.db2.gz KJPHGRNDJSNIPZ-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531983630 270212551 /nfs/dbraw/zinc/21/25/51/270212551.db2.gz HJCNYADAPUEFDB-RDTXWAMCSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531983630 270212552 /nfs/dbraw/zinc/21/25/52/270212552.db2.gz HJCNYADAPUEFDB-RDTXWAMCSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000532530501 270216990 /nfs/dbraw/zinc/21/69/90/270216990.db2.gz TZNJMHIPKHZVNQ-CRAIPNDOSA-N 2 2 272.436 3.386 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000532530501 270216991 /nfs/dbraw/zinc/21/69/91/270216991.db2.gz TZNJMHIPKHZVNQ-CRAIPNDOSA-N 2 2 272.436 3.386 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422729197 274262198 /nfs/dbraw/zinc/26/21/98/274262198.db2.gz HMXCUWASSYPCPG-COXVUDFISA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000248457242 287766820 /nfs/dbraw/zinc/76/68/20/287766820.db2.gz MFKXEEYVVFWLSP-ARFHVFGLSA-N 2 2 263.429 3.325 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000087816344 275072544 /nfs/dbraw/zinc/07/25/44/275072544.db2.gz OQYPETPKIFTGPB-INIZCTEOSA-N 2 2 280.375 3.032 20 0 CGADLP c1coc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCC2)c1 ZINC000301077372 275074888 /nfs/dbraw/zinc/07/48/88/275074888.db2.gz LSMQSGVOBDCNSP-HNNXBMFYSA-N 2 2 296.374 3.405 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557713 275399588 /nfs/dbraw/zinc/39/95/88/275399588.db2.gz SKHUQQIATKTCSI-SRXBQZRASA-N 2 2 266.816 3.283 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CS1 ZINC000488445645 276002033 /nfs/dbraw/zinc/00/20/33/276002033.db2.gz RULNVZYWQDTPIK-UGUYLWEFSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CS1 ZINC000488445645 276002035 /nfs/dbraw/zinc/00/20/35/276002035.db2.gz RULNVZYWQDTPIK-UGUYLWEFSA-N 2 2 284.513 3.369 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000375344294 276004987 /nfs/dbraw/zinc/00/49/87/276004987.db2.gz CUIDCWNYYCCOOE-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685203 276025854 /nfs/dbraw/zinc/02/58/54/276025854.db2.gz ONOVYLJIHDTIQM-NVXWUHKLSA-N 2 2 258.409 3.354 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685203 276025855 /nfs/dbraw/zinc/02/58/55/276025855.db2.gz ONOVYLJIHDTIQM-NVXWUHKLSA-N 2 2 258.409 3.354 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000368098910 276143354 /nfs/dbraw/zinc/14/33/54/276143354.db2.gz CWVQNCUEZOFKPN-SJKOYZFVSA-N 2 2 281.403 3.279 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000368098910 276143358 /nfs/dbraw/zinc/14/33/58/276143358.db2.gz CWVQNCUEZOFKPN-SJKOYZFVSA-N 2 2 281.403 3.279 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423551729 276152059 /nfs/dbraw/zinc/15/20/59/276152059.db2.gz JKFZBPUQWDPHEC-JSGCOSHPSA-N 2 2 262.397 3.025 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000359076142 276174155 /nfs/dbraw/zinc/17/41/55/276174155.db2.gz AKGMSTFBSRTUEC-OAGGEKHMSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000359076142 276174156 /nfs/dbraw/zinc/17/41/56/276174156.db2.gz AKGMSTFBSRTUEC-OAGGEKHMSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467545829 276178980 /nfs/dbraw/zinc/17/89/80/276178980.db2.gz HOWHUMYMDGAQEP-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000511702981 276226075 /nfs/dbraw/zinc/22/60/75/276226075.db2.gz XUTYEWOTCSVXTG-DAWZGUTISA-N 2 2 296.499 3.292 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000511702981 276226078 /nfs/dbraw/zinc/22/60/78/276226078.db2.gz XUTYEWOTCSVXTG-DAWZGUTISA-N 2 2 296.499 3.292 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCc1c(F)cccc1F)C1CC1 ZINC000510665764 276349058 /nfs/dbraw/zinc/34/90/58/276349058.db2.gz CUHOPGNRIRDIGL-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCc1c(F)cccc1F)C1CC1 ZINC000510665764 276349061 /nfs/dbraw/zinc/34/90/61/276349061.db2.gz CUHOPGNRIRDIGL-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422875794 276369014 /nfs/dbraw/zinc/36/90/14/276369014.db2.gz PIIKWKCEXMCVNJ-ZDUSSCGKSA-N 2 2 285.391 3.052 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155858871 276369333 /nfs/dbraw/zinc/36/93/33/276369333.db2.gz OIICBQWJWXQGNI-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155858871 276369334 /nfs/dbraw/zinc/36/93/34/276369334.db2.gz OIICBQWJWXQGNI-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289509 276369348 /nfs/dbraw/zinc/36/93/48/276369348.db2.gz JDFRRQUJCOGZFY-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289509 276369350 /nfs/dbraw/zinc/36/93/50/276369350.db2.gz JDFRRQUJCOGZFY-GXTWGEPZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278591809 287899597 /nfs/dbraw/zinc/89/95/97/287899597.db2.gz ZPTHSAWEPJQMPX-CABCVRRESA-N 2 2 292.492 3.459 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1nccs1 ZINC000251279845 276591547 /nfs/dbraw/zinc/59/15/47/276591547.db2.gz PZFNOSJPUOBHRZ-MCIONIFRSA-N 2 2 281.469 3.495 20 0 CGADLP C[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000035043462 277031622 /nfs/dbraw/zinc/03/16/22/277031622.db2.gz RRKOKSPOOWWFEI-AWEZNQCLSA-N 2 2 280.412 3.046 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000359382306 277194521 /nfs/dbraw/zinc/19/45/21/277194521.db2.gz GZARIMFGBYZEHJ-IRXDYDNUSA-N 2 2 294.483 3.044 20 0 CGADLP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000318338842 287944164 /nfs/dbraw/zinc/94/41/64/287944164.db2.gz ASPMCTQHCPVJAB-XOKHGSTOSA-N 2 2 299.418 3.336 20 0 CGADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000420392863 277267519 /nfs/dbraw/zinc/26/75/19/277267519.db2.gz WJZGOONLJWJCMS-LLVKDONJSA-N 2 2 296.365 3.034 20 0 CGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000420392863 277267520 /nfs/dbraw/zinc/26/75/20/277267520.db2.gz WJZGOONLJWJCMS-LLVKDONJSA-N 2 2 296.365 3.034 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000338779748 277360282 /nfs/dbraw/zinc/36/02/82/277360282.db2.gz LJNSVABMBXWHTD-LSDHHAIUSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000474802812 277786917 /nfs/dbraw/zinc/78/69/17/277786917.db2.gz TXYPLKWNJUPVQO-OAGGEKHMSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(C)(C)C1 ZINC000395187127 288007155 /nfs/dbraw/zinc/00/71/55/288007155.db2.gz TZYHIJOZYRFJPA-UHFFFAOYSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H](CC1CCCCC1)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356302025 278166336 /nfs/dbraw/zinc/16/63/36/278166336.db2.gz UYXZNAYOGUAMBG-CQSZACIVSA-N 2 2 261.413 3.305 20 0 CGADLP C[C@H](CC1CCCCC1)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000356302025 278166337 /nfs/dbraw/zinc/16/63/37/278166337.db2.gz UYXZNAYOGUAMBG-CQSZACIVSA-N 2 2 261.413 3.305 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359635680 278168420 /nfs/dbraw/zinc/16/84/20/278168420.db2.gz PJXHFTGOHBNDOS-WZRBSPASSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359635680 278168423 /nfs/dbraw/zinc/16/84/23/278168423.db2.gz PJXHFTGOHBNDOS-WZRBSPASSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CCSCC1 ZINC000354354214 278259176 /nfs/dbraw/zinc/25/91/76/278259176.db2.gz XQUVHLGRAZFTJG-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CCSCC1 ZINC000354354214 278259178 /nfs/dbraw/zinc/25/91/78/278259178.db2.gz XQUVHLGRAZFTJG-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccsc1 ZINC000050341635 278282979 /nfs/dbraw/zinc/28/29/79/278282979.db2.gz SGKGFTXCKYHRFO-FPMFFAJLSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000050341635 278282982 /nfs/dbraw/zinc/28/29/82/278282982.db2.gz SGKGFTXCKYHRFO-FPMFFAJLSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000286038947 278332401 /nfs/dbraw/zinc/33/24/01/278332401.db2.gz KKYLGCBFOLBZOU-ODIFPOPNSA-N 2 2 290.451 3.009 20 0 CGADLP COc1ccc(C[NH2+]CC2([NH+](C)C)CC2)c2ccccc12 ZINC000397894274 288034408 /nfs/dbraw/zinc/03/44/08/288034408.db2.gz RDMSEPGDUMKLDH-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481545 278350868 /nfs/dbraw/zinc/35/08/68/278350868.db2.gz OEQNHVMENYHYFR-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481545 278350870 /nfs/dbraw/zinc/35/08/70/278350870.db2.gz OEQNHVMENYHYFR-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321125 278614229 /nfs/dbraw/zinc/61/42/29/278614229.db2.gz MTZPXCYZBNXSGV-RISCZKNCSA-N 2 2 258.365 3.129 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1Cl ZINC000423261573 278978442 /nfs/dbraw/zinc/97/84/42/278978442.db2.gz KESNKSSWDOIDII-NEPJUHHUSA-N 2 2 254.805 3.364 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459541466 288095993 /nfs/dbraw/zinc/09/59/93/288095993.db2.gz WQRVPIFDNAVZAU-QGZVFWFLSA-N 2 2 287.407 3.054 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459541466 288095996 /nfs/dbraw/zinc/09/59/96/288095996.db2.gz WQRVPIFDNAVZAU-QGZVFWFLSA-N 2 2 287.407 3.054 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232701 279021848 /nfs/dbraw/zinc/02/18/48/279021848.db2.gz COVPLPULLIIEBP-JEBQAFNWSA-N 2 2 266.388 3.210 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCOC)c1ccccc1 ZINC000045017487 279165135 /nfs/dbraw/zinc/16/51/35/279165135.db2.gz AEJRVMCJNRLXFG-DOTOQJQBSA-N 2 2 278.440 3.084 20 0 CGADLP CC(C)C[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)[NH+](C)C ZINC000301562521 279165833 /nfs/dbraw/zinc/16/58/33/279165833.db2.gz YFOQAYJEBYCSEM-CYBMUJFWSA-N 2 2 278.444 3.162 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000482103003 288111625 /nfs/dbraw/zinc/11/16/25/288111625.db2.gz BXBKFDQIPVUIPA-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000482103003 288111626 /nfs/dbraw/zinc/11/16/26/288111626.db2.gz BXBKFDQIPVUIPA-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423050872 279372199 /nfs/dbraw/zinc/37/21/99/279372199.db2.gz MXZHAEXJRFEMEN-XPKDYRNWSA-N 2 2 292.398 3.160 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000400714419 279517975 /nfs/dbraw/zinc/51/79/75/279517975.db2.gz FIVAKQOOXTUFSE-ZLKJLUDKSA-N 2 2 280.412 3.093 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000527235538 288159561 /nfs/dbraw/zinc/15/95/61/288159561.db2.gz HSNFMJUKDTXYSP-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000527235538 288159564 /nfs/dbraw/zinc/15/95/64/288159564.db2.gz HSNFMJUKDTXYSP-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527629709 288177212 /nfs/dbraw/zinc/17/72/12/288177212.db2.gz OOCABQHPIWPFQX-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527669400 288186867 /nfs/dbraw/zinc/18/68/67/288186867.db2.gz GKIMERPEXUNXLH-NWDGAFQWSA-N 2 2 274.399 3.273 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527669400 288186869 /nfs/dbraw/zinc/18/68/69/288186869.db2.gz GKIMERPEXUNXLH-NWDGAFQWSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@@H+]1C1CC1 ZINC000308768315 280008966 /nfs/dbraw/zinc/00/89/66/280008966.db2.gz IFLHKOLPYIVPGD-ZFWWWQNUSA-N 2 2 262.441 3.338 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)C[N@H+]1C1CC1 ZINC000308768315 280008972 /nfs/dbraw/zinc/00/89/72/280008972.db2.gz IFLHKOLPYIVPGD-ZFWWWQNUSA-N 2 2 262.441 3.338 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343558616 280022483 /nfs/dbraw/zinc/02/24/83/280022483.db2.gz BPPKFDJPMQOUKX-KBPBESRZSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343558616 280022484 /nfs/dbraw/zinc/02/24/84/280022484.db2.gz BPPKFDJPMQOUKX-KBPBESRZSA-N 2 2 287.382 3.420 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CC(F)(F)C1 ZINC000529532924 288259053 /nfs/dbraw/zinc/25/90/53/288259053.db2.gz QJHHJKQJWJXVFI-CJNGLKHVSA-N 2 2 296.405 3.183 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423389115 281001661 /nfs/dbraw/zinc/00/16/61/281001661.db2.gz NHUSDCXSMAKMMD-SJORKVTESA-N 2 2 287.451 3.301 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232209 281027373 /nfs/dbraw/zinc/02/73/73/281027373.db2.gz HUYSAOJKXLDDJC-SUMWQHHRSA-N 2 2 283.419 3.195 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@@H](C)C2 ZINC000491061292 281118095 /nfs/dbraw/zinc/11/80/95/281118095.db2.gz QSFLZJBEJZSDOW-PMUMKWKESA-N 2 2 272.436 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@@H](C)C2 ZINC000491061292 281118097 /nfs/dbraw/zinc/11/80/97/281118097.db2.gz QSFLZJBEJZSDOW-PMUMKWKESA-N 2 2 272.436 3.301 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453575299 281483140 /nfs/dbraw/zinc/48/31/40/281483140.db2.gz DGUBDBKBYXZSEY-OAHLLOKOSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCC1(C)C)CCC2 ZINC000336580179 281549421 /nfs/dbraw/zinc/54/94/21/281549421.db2.gz JIEYEXGDBPRGAC-KGLIPLIRSA-N 2 2 261.413 3.237 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532193087 288354386 /nfs/dbraw/zinc/35/43/86/288354386.db2.gz OGIZAIXZCDKRNK-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532193087 288354390 /nfs/dbraw/zinc/35/43/90/288354390.db2.gz OGIZAIXZCDKRNK-HOTGVXAUSA-N 2 2 252.446 3.443 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228926 288356474 /nfs/dbraw/zinc/35/64/74/288356474.db2.gz RATRXWQHKJOZGA-NHYWBVRUSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228926 288356476 /nfs/dbraw/zinc/35/64/76/288356476.db2.gz RATRXWQHKJOZGA-NHYWBVRUSA-N 2 2 298.833 3.296 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000532239076 288357390 /nfs/dbraw/zinc/35/73/90/288357390.db2.gz LTQYHTHYMAVRPE-PBHICJAKSA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000532239076 288357392 /nfs/dbraw/zinc/35/73/92/288357392.db2.gz LTQYHTHYMAVRPE-PBHICJAKSA-N 2 2 276.424 3.078 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000532240380 288357671 /nfs/dbraw/zinc/35/76/71/288357671.db2.gz OCQIMSBXSKGNMB-QFBILLFUSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000532240380 288357672 /nfs/dbraw/zinc/35/76/72/288357672.db2.gz OCQIMSBXSKGNMB-QFBILLFUSA-N 2 2 286.463 3.248 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446960 288361363 /nfs/dbraw/zinc/36/13/63/288361363.db2.gz GONQVAKBDUQLTD-IJEWVQPXSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446960 288361365 /nfs/dbraw/zinc/36/13/65/288361365.db2.gz GONQVAKBDUQLTD-IJEWVQPXSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000538759467 288588266 /nfs/dbraw/zinc/58/82/66/288588266.db2.gz BIBAWQOKVWNLPF-SWLSCSKDSA-N 2 2 281.359 3.341 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000487543179 292688393 /nfs/dbraw/zinc/68/83/93/292688393.db2.gz SXXDPLNRNRBPIQ-ZOBUZTSGSA-N 2 2 292.492 3.329 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000548150804 288993509 /nfs/dbraw/zinc/99/35/09/288993509.db2.gz ZVEPXBCKCQGIDF-JKSUJKDBSA-N 2 2 261.413 3.245 20 0 CGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)on1 ZINC000551052210 289096763 /nfs/dbraw/zinc/09/67/63/289096763.db2.gz WZZFKBKUAYGHHB-FUHWJXTLSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)on1 ZINC000551052210 289096767 /nfs/dbraw/zinc/09/67/67/289096767.db2.gz WZZFKBKUAYGHHB-FUHWJXTLSA-N 2 2 299.418 3.162 20 0 CGADLP CC[NH+](CC)CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551405812 289115217 /nfs/dbraw/zinc/11/52/17/289115217.db2.gz BKQMSNJLQPOBNY-UHFFFAOYSA-N 2 2 280.378 3.383 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000552044511 289153885 /nfs/dbraw/zinc/15/38/85/289153885.db2.gz DUFIDNYUIMXGPV-CYBMUJFWSA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000552044511 289153887 /nfs/dbraw/zinc/15/38/87/289153887.db2.gz DUFIDNYUIMXGPV-CYBMUJFWSA-N 2 2 284.394 3.216 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000552162098 289169757 /nfs/dbraw/zinc/16/97/57/289169757.db2.gz AHLKCAZAKKGBQW-ONEGZZNKSA-N 2 2 291.345 3.245 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000552956525 289203638 /nfs/dbraw/zinc/20/36/38/289203638.db2.gz CQXSIODNXFWOFZ-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000552956525 289203639 /nfs/dbraw/zinc/20/36/39/289203639.db2.gz CQXSIODNXFWOFZ-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582379 289295409 /nfs/dbraw/zinc/29/54/09/289295409.db2.gz AJAWUOQQHMASFJ-QGZVFWFLSA-N 2 2 278.415 3.289 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000554582379 289295410 /nfs/dbraw/zinc/29/54/10/289295410.db2.gz AJAWUOQQHMASFJ-QGZVFWFLSA-N 2 2 278.415 3.289 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000555033944 289325237 /nfs/dbraw/zinc/32/52/37/289325237.db2.gz INUURFMHOJCZNX-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000555033944 289325241 /nfs/dbraw/zinc/32/52/41/289325241.db2.gz INUURFMHOJCZNX-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(OCCC[C@@H](C)[NH2+]CC[NH+](C)C)ccc1Cl ZINC000555341820 289340130 /nfs/dbraw/zinc/34/01/30/289340130.db2.gz QCSVPOZYJYQDFZ-CQSZACIVSA-N 2 2 298.858 3.347 20 0 CGADLP c1ccc(C2=CCC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000555877721 289363039 /nfs/dbraw/zinc/36/30/39/289363039.db2.gz DYNIEMMIQGVIDQ-UHFFFAOYSA-N 2 2 285.435 3.047 20 0 CGADLP c1ccc(C2=CCC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000555877721 289363045 /nfs/dbraw/zinc/36/30/45/289363045.db2.gz DYNIEMMIQGVIDQ-UHFFFAOYSA-N 2 2 285.435 3.047 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000560530526 289601967 /nfs/dbraw/zinc/60/19/67/289601967.db2.gz PXDGVXKNXJTBNU-DLBZAZTESA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000036996623 290019653 /nfs/dbraw/zinc/01/96/53/290019653.db2.gz XWSBBBUZGYGNSM-IUIKQTSFSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)c(F)c1 ZINC000036996623 290019655 /nfs/dbraw/zinc/01/96/55/290019655.db2.gz XWSBBBUZGYGNSM-IUIKQTSFSA-N 2 2 280.362 3.242 20 0 CGADLP COC[C@H](C)[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000348706744 293033750 /nfs/dbraw/zinc/03/37/50/293033750.db2.gz USISYSLQRZIINJ-YJBOKZPZSA-N 2 2 292.467 3.112 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346803113 295109658 /nfs/dbraw/zinc/10/96/58/295109658.db2.gz UYPMUBLGJMVXRJ-OFQRWUPVSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346803113 295109661 /nfs/dbraw/zinc/10/96/61/295109661.db2.gz UYPMUBLGJMVXRJ-OFQRWUPVSA-N 2 2 276.424 3.137 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)C1CCCC1 ZINC000423502418 295244203 /nfs/dbraw/zinc/24/42/03/295244203.db2.gz LWNWZBYNQQOWKM-LSDHHAIUSA-N 2 2 280.362 3.059 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423332365 301289036 /nfs/dbraw/zinc/28/90/36/301289036.db2.gz VAIXJSWTPJQFRD-HUUCEWRRSA-N 2 2 294.826 3.189 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352724420 302180353 /nfs/dbraw/zinc/18/03/53/302180353.db2.gz QOAJYTVAKVPOMN-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352724420 302180357 /nfs/dbraw/zinc/18/03/57/302180357.db2.gz QOAJYTVAKVPOMN-ZQIUZPCESA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CCSCC1)[NH+](C)C ZINC000443198616 302208344 /nfs/dbraw/zinc/20/83/44/302208344.db2.gz RRYZBVOQBRELIG-YOEHRIQHSA-N 2 2 292.492 3.471 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1C ZINC000582073344 327831679 /nfs/dbraw/zinc/83/16/79/327831679.db2.gz AZLHITNSUREFEH-RRFJBIMHSA-N 2 2 261.413 3.177 20 0 CGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000563662925 322005922 /nfs/dbraw/zinc/00/59/22/322005922.db2.gz ASUWFYDCESTGRP-DGQGSHBHSA-N 2 2 285.313 3.028 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000564315775 322026885 /nfs/dbraw/zinc/02/68/85/322026885.db2.gz ZBUMHGSRGAQQCV-UHFFFAOYSA-N 2 2 290.382 3.469 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000564315775 322026888 /nfs/dbraw/zinc/02/68/88/322026888.db2.gz ZBUMHGSRGAQQCV-UHFFFAOYSA-N 2 2 290.382 3.469 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000564317883 322026956 /nfs/dbraw/zinc/02/69/56/322026956.db2.gz LJMXLNOKDPEBNA-GJZGRUSLSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000564317883 322026959 /nfs/dbraw/zinc/02/69/59/322026959.db2.gz LJMXLNOKDPEBNA-GJZGRUSLSA-N 2 2 275.440 3.426 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000564410147 322029939 /nfs/dbraw/zinc/02/99/39/322029939.db2.gz ISOQZILCTCAJDD-PWXKEOIMSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000564410147 322029941 /nfs/dbraw/zinc/02/99/41/322029941.db2.gz ISOQZILCTCAJDD-PWXKEOIMSA-N 2 2 262.441 3.051 20 0 CGADLP Cc1cc(C[NH2+]CCC[NH+]2CCC2)c(OC(F)F)cc1C ZINC000565217992 322066845 /nfs/dbraw/zinc/06/68/45/322066845.db2.gz VCZPNUOSIXUHFF-UHFFFAOYSA-N 2 2 298.377 3.090 20 0 CGADLP Cc1[nH]c(CNc2cc(C)cc(C[NH+](C)C)c2)[nH+]c1C ZINC000565239626 322069421 /nfs/dbraw/zinc/06/94/21/322069421.db2.gz XOLOCNFQQLHVHJ-UHFFFAOYSA-N 2 2 272.396 3.009 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566230316 322110721 /nfs/dbraw/zinc/11/07/21/322110721.db2.gz BOIXIRJOTYJFGM-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566230316 322110723 /nfs/dbraw/zinc/11/07/23/322110723.db2.gz BOIXIRJOTYJFGM-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP C[C@H]1[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000566392423 322120005 /nfs/dbraw/zinc/12/00/05/322120005.db2.gz CMOAOEUAQGATLC-HNKHHVNMSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]1[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000566392423 322120008 /nfs/dbraw/zinc/12/00/08/322120008.db2.gz CMOAOEUAQGATLC-HNKHHVNMSA-N 2 2 294.389 3.283 20 0 CGADLP Cc1cccn2cc(Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)[nH+]c12 ZINC000567323684 322158897 /nfs/dbraw/zinc/15/88/97/322158897.db2.gz FZTXEZDOWRVUGD-KGLIPLIRSA-N 2 2 294.402 3.258 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)cn1 ZINC000567414858 322162489 /nfs/dbraw/zinc/16/24/89/322162489.db2.gz RFSYJJWOTRFSBX-NSHDSACASA-N 2 2 290.798 3.119 20 0 CGADLP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCCC[NH2+]1 ZINC000567641345 322171884 /nfs/dbraw/zinc/17/18/84/322171884.db2.gz YZRGLGRTWLERQH-WFASDCNBSA-N 2 2 258.365 3.053 20 0 CGADLP CC(C)c1[nH+]c(CNc2cccc[nH+]2)c2ccccn21 ZINC000567904046 322182445 /nfs/dbraw/zinc/18/24/45/322182445.db2.gz LCOUMZPMVOSOLG-UHFFFAOYSA-N 2 2 266.348 3.465 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCC34CC4)[nH]c2c1 ZINC000568275207 322202867 /nfs/dbraw/zinc/20/28/67/322202867.db2.gz MVLWNFCYOVNWCF-OAHLLOKOSA-N 2 2 269.392 3.418 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799888 322223097 /nfs/dbraw/zinc/22/30/97/322223097.db2.gz GJMONIKKPCCDPE-WMLDXEAASA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799888 322223100 /nfs/dbraw/zinc/22/31/00/322223100.db2.gz GJMONIKKPCCDPE-WMLDXEAASA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799888 322223102 /nfs/dbraw/zinc/22/31/02/322223102.db2.gz GJMONIKKPCCDPE-WMLDXEAASA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000568799888 322223105 /nfs/dbraw/zinc/22/31/05/322223105.db2.gz GJMONIKKPCCDPE-WMLDXEAASA-N 2 2 299.418 3.114 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000570271974 322269420 /nfs/dbraw/zinc/26/94/20/322269420.db2.gz YKTSNQNVBLKSNV-XJKSGUPXSA-N 2 2 260.425 3.288 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000571156562 322291391 /nfs/dbraw/zinc/29/13/91/322291391.db2.gz YRNUCGXXUHAZKI-WMZOPIPTSA-N 3 2 295.515 3.007 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000571166298 322291897 /nfs/dbraw/zinc/29/18/97/322291897.db2.gz XLBSDPFAHGXSHV-GOSISDBHSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000571166298 322291899 /nfs/dbraw/zinc/29/18/99/322291899.db2.gz XLBSDPFAHGXSHV-GOSISDBHSA-N 2 2 298.430 3.293 20 0 CGADLP Fc1ccc2cc(C[NH2+]CCCCn3cc[nH+]c3)[nH]c2c1 ZINC000571854569 322309404 /nfs/dbraw/zinc/30/94/04/322309404.db2.gz HKCSQUKXRARNJV-UHFFFAOYSA-N 2 2 286.354 3.074 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000571862514 322309664 /nfs/dbraw/zinc/30/96/64/322309664.db2.gz GHEGHKVEQZWACN-OAHLLOKOSA-N 2 2 290.794 3.427 20 0 CGADLP C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572539216 322342616 /nfs/dbraw/zinc/34/26/16/322342616.db2.gz YZHXOQZUJTUTRY-WBVHZDCISA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572539216 322342619 /nfs/dbraw/zinc/34/26/19/322342619.db2.gz YZHXOQZUJTUTRY-WBVHZDCISA-N 2 2 283.419 3.231 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000582719807 329130166 /nfs/dbraw/zinc/13/01/66/329130166.db2.gz QTSGADYHUWKEBX-QXAKKESOSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncn1)[N@H+](C)Cc1ccccc1 ZINC000379641209 330146105 /nfs/dbraw/zinc/14/61/05/330146105.db2.gz CXQRSIYLYLSYOP-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncn1)[N@@H+](C)Cc1ccccc1 ZINC000379641209 330146106 /nfs/dbraw/zinc/14/61/06/330146106.db2.gz CXQRSIYLYLSYOP-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000576148749 335160681 /nfs/dbraw/zinc/16/06/81/335160681.db2.gz UEZSVTROYMDUMO-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000576148749 335160682 /nfs/dbraw/zinc/16/06/82/335160682.db2.gz UEZSVTROYMDUMO-WBVHZDCISA-N 2 2 266.473 3.473 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccco1)C(C)C ZINC000576579516 335221245 /nfs/dbraw/zinc/22/12/45/335221245.db2.gz GFLVJNNCPKXRHB-UHFFFAOYSA-N 2 2 258.365 3.436 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccco1)C(C)C ZINC000576579516 335221247 /nfs/dbraw/zinc/22/12/47/335221247.db2.gz GFLVJNNCPKXRHB-UHFFFAOYSA-N 2 2 258.365 3.436 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]cc2C)c1C ZINC000192543799 335276154 /nfs/dbraw/zinc/27/61/54/335276154.db2.gz HPBIYLNIZMKBRJ-UHFFFAOYSA-N 2 2 271.364 3.047 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000577057415 335292385 /nfs/dbraw/zinc/29/23/85/335292385.db2.gz BSSBBLAQSZMIBX-OAHLLOKOSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccoc1 ZINC000178294800 335425018 /nfs/dbraw/zinc/42/50/18/335425018.db2.gz JYQUCGJAZRVZKS-ZDUSSCGKSA-N 2 2 262.397 3.337 20 0 CGADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1c[nH+]ccc1N ZINC000579822666 335894171 /nfs/dbraw/zinc/89/41/71/335894171.db2.gz GEESFWYEIBGWCG-GVXVVHGQSA-N 2 2 271.364 3.061 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000581254614 336032823 /nfs/dbraw/zinc/03/28/23/336032823.db2.gz OFYUNKRAUISVFM-HUUCEWRRSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000581254614 336032825 /nfs/dbraw/zinc/03/28/25/336032825.db2.gz OFYUNKRAUISVFM-HUUCEWRRSA-N 2 2 299.418 3.209 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386925820 336182553 /nfs/dbraw/zinc/18/25/53/336182553.db2.gz SGAUIXBGQAVAQR-JKSUJKDBSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386925820 336182554 /nfs/dbraw/zinc/18/25/54/336182554.db2.gz SGAUIXBGQAVAQR-JKSUJKDBSA-N 2 2 290.451 3.054 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC34CCCC4)cc2)c[nH+]1 ZINC000387105072 336185216 /nfs/dbraw/zinc/18/52/16/336185216.db2.gz GFDYAUAIRLRIGS-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424380 500903293 /nfs/dbraw/zinc/90/32/93/500903293.db2.gz ONVOKLIIINVWNO-LYSZQXJVSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432424380 500903296 /nfs/dbraw/zinc/90/32/96/500903296.db2.gz ONVOKLIIINVWNO-LYSZQXJVSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2ccccc2)o1 ZINC000423333492 533835763 /nfs/dbraw/zinc/83/57/63/533835763.db2.gz RUOVVNZUYXYBTG-ZDUSSCGKSA-N 2 2 270.376 3.479 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423319007 533878877 /nfs/dbraw/zinc/87/88/77/533878877.db2.gz LIXKUDZQDWEXBV-IMTBSYHQSA-N 2 2 279.236 3.443 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423313818 533897164 /nfs/dbraw/zinc/89/71/64/533897164.db2.gz GCGJCQZRWBSRPD-UFBFGSQYSA-N 2 2 273.207 3.381 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@@H]3C)oc21 ZINC000423371863 533912290 /nfs/dbraw/zinc/91/22/90/533912290.db2.gz VICSOZSYYIJQFT-OBJOEFQTSA-N 2 2 288.391 3.090 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242489 534064786 /nfs/dbraw/zinc/06/47/86/534064786.db2.gz MAUPMVUMRLYNDW-UUWFMWQGSA-N 2 2 284.378 3.349 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368686633 534093086 /nfs/dbraw/zinc/09/30/86/534093086.db2.gz GRTYYSQYLFVPRA-CQSZACIVSA-N 2 2 295.386 3.420 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)oc2cc1C ZINC000368686633 534093093 /nfs/dbraw/zinc/09/30/93/534093093.db2.gz GRTYYSQYLFVPRA-CQSZACIVSA-N 2 2 295.386 3.420 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C1 ZINC000462747757 535822071 /nfs/dbraw/zinc/82/20/71/535822071.db2.gz FMYVHKMLPGXIFE-OWCLPIDISA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C1 ZINC000462747757 535822072 /nfs/dbraw/zinc/82/20/72/535822072.db2.gz FMYVHKMLPGXIFE-OWCLPIDISA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000364808499 521161592 /nfs/dbraw/zinc/16/15/92/521161592.db2.gz LYGYXUHNNUFVDT-OAGGEKHMSA-N 2 2 294.464 3.042 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000364808499 521161597 /nfs/dbraw/zinc/16/15/97/521161597.db2.gz LYGYXUHNNUFVDT-OAGGEKHMSA-N 2 2 294.464 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286351 525008874 /nfs/dbraw/zinc/00/88/74/525008874.db2.gz SMXZQPOCZKZIAQ-RISCZKNCSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150286351 525008883 /nfs/dbraw/zinc/00/88/83/525008883.db2.gz SMXZQPOCZKZIAQ-RISCZKNCSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccs1 ZINC000151501213 525465711 /nfs/dbraw/zinc/46/57/11/525465711.db2.gz AUHDSPFNNUCCOW-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155696587 525603280 /nfs/dbraw/zinc/60/32/80/525603280.db2.gz XBZKCEJKNMZMAJ-MRXNPFEDSA-N 2 2 285.391 3.003 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751139 527755688 /nfs/dbraw/zinc/75/56/88/527755688.db2.gz IWBIJOHNZZKPCN-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751139 527755691 /nfs/dbraw/zinc/75/56/91/527755691.db2.gz IWBIJOHNZZKPCN-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751139 527755695 /nfs/dbraw/zinc/75/56/95/527755695.db2.gz IWBIJOHNZZKPCN-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751139 527755698 /nfs/dbraw/zinc/75/56/98/527755698.db2.gz IWBIJOHNZZKPCN-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CCC1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423376301 527824181 /nfs/dbraw/zinc/82/41/81/527824181.db2.gz UVQCBIMXBKXAKU-FLHNKZHLSA-N 2 2 294.389 3.189 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423555108 528209291 /nfs/dbraw/zinc/20/92/91/528209291.db2.gz LSTZVJZJYVJLDG-GOEBONIOSA-N 2 2 276.424 3.267 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000414127542 528221362 /nfs/dbraw/zinc/22/13/62/528221362.db2.gz QGZXFOLRUVTYGN-AWEZNQCLSA-N 2 2 263.410 3.155 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423233703 528334738 /nfs/dbraw/zinc/33/47/38/528334738.db2.gz KKEUBHFUDBMOMK-CYBMUJFWSA-N 2 2 290.329 3.235 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423251807 528335077 /nfs/dbraw/zinc/33/50/77/528335077.db2.gz WYFOTNLRBAMUJW-INIZCTEOSA-N 2 2 264.388 3.256 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423372381 528421635 /nfs/dbraw/zinc/42/16/35/528421635.db2.gz GDTDAROVUZTYFQ-BDAKNGLRSA-N 2 2 291.258 3.159 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000423390996 528423516 /nfs/dbraw/zinc/42/35/16/528423516.db2.gz WUCFIYLUIDQIFM-ZIAGYGMSSA-N 2 2 294.439 3.133 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000423371929 528424138 /nfs/dbraw/zinc/42/41/38/528424138.db2.gz GBVIDZZETOYNIK-ZIAGYGMSSA-N 2 2 286.419 3.497 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000423307619 528512353 /nfs/dbraw/zinc/51/23/53/528512353.db2.gz HMGOUABTBFAHFK-ZDUSSCGKSA-N 2 2 290.407 3.482 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423309887 528517945 /nfs/dbraw/zinc/51/79/45/528517945.db2.gz MIYPDZFBVGORKT-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423414088 528629642 /nfs/dbraw/zinc/62/96/42/528629642.db2.gz BKTVNSWKWSKWAR-YJBOKZPZSA-N 2 2 290.451 3.058 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423296865 528821487 /nfs/dbraw/zinc/82/14/87/528821487.db2.gz HUNGXGDJMKHXTB-ZFWWWQNUSA-N 2 2 271.408 3.403 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423302012 528823978 /nfs/dbraw/zinc/82/39/78/528823978.db2.gz UZWIOAXONBNWBX-HOCLYGCPSA-N 2 2 276.424 3.316 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000423497387 528928262 /nfs/dbraw/zinc/92/82/62/528928262.db2.gz GVTVRYAMDYCXOI-RYQLBKOJSA-N 2 2 290.451 3.044 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000414340801 528963597 /nfs/dbraw/zinc/96/35/97/528963597.db2.gz KYAJSYDILLIYHU-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000414340801 528963602 /nfs/dbraw/zinc/96/36/02/528963602.db2.gz KYAJSYDILLIYHU-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccc(Cl)cc1 ZINC000423323151 529008551 /nfs/dbraw/zinc/00/85/51/529008551.db2.gz OKHAQVOJCKGFFH-OAHLLOKOSA-N 2 2 284.831 3.007 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423252566 529009038 /nfs/dbraw/zinc/00/90/38/529009038.db2.gz XQMHGHPPLAMBEI-HZPDHXFCSA-N 2 2 269.392 3.212 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423233438 529175243 /nfs/dbraw/zinc/17/52/43/529175243.db2.gz JVYPLSARKJIIJV-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1F ZINC000163458760 529179247 /nfs/dbraw/zinc/17/92/47/529179247.db2.gz BPFXFNLSZNWTDQ-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1F ZINC000163458760 529179249 /nfs/dbraw/zinc/17/92/49/529179249.db2.gz BPFXFNLSZNWTDQ-CZUORRHYSA-N 2 2 264.388 3.351 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244790 529257836 /nfs/dbraw/zinc/25/78/36/529257836.db2.gz XTDGFRPHFMXTII-QWHCGFSZSA-N 2 2 264.438 3.201 20 0 CGADLP CC[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)CCS1 ZINC000353654225 529292307 /nfs/dbraw/zinc/29/23/07/529292307.db2.gz JGVGQQQVGNKWLS-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)CCS1 ZINC000353654225 529292310 /nfs/dbraw/zinc/29/23/10/529292310.db2.gz JGVGQQQVGNKWLS-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(CC(C)C)s2)CC1 ZINC000125293243 535459749 /nfs/dbraw/zinc/45/97/49/535459749.db2.gz ZFQWGBRAGUTNPC-UHFFFAOYSA-N 2 2 295.496 3.258 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083849 536464353 /nfs/dbraw/zinc/46/43/53/536464353.db2.gz FAQOYEBCMQCYMC-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083849 536464356 /nfs/dbraw/zinc/46/43/56/536464356.db2.gz FAQOYEBCMQCYMC-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083849 536464359 /nfs/dbraw/zinc/46/43/59/536464359.db2.gz FAQOYEBCMQCYMC-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4ccccc4c3)[C@@H]2C1 ZINC000495083849 536464362 /nfs/dbraw/zinc/46/43/62/536464362.db2.gz FAQOYEBCMQCYMC-IEBWSBKVSA-N 2 2 280.415 3.366 20 0 CGADLP c1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299739345 567149123 /nfs/dbraw/zinc/14/91/23/567149123.db2.gz NMNUXARXIHTYBZ-AWEZNQCLSA-N 2 2 287.432 3.270 20 0 CGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000226433447 572349861 /nfs/dbraw/zinc/34/98/61/572349861.db2.gz SPAJAGPVCKTSJH-ZQIUZPCESA-N 2 2 290.451 3.093 20 0 CGADLP C[C@H]([NH3+])[C@@H]1C[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000226433447 572349866 /nfs/dbraw/zinc/34/98/66/572349866.db2.gz SPAJAGPVCKTSJH-ZQIUZPCESA-N 2 2 290.451 3.093 20 0 CGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000730818376 572377082 /nfs/dbraw/zinc/37/70/82/572377082.db2.gz RGGZGVMVTCOWDX-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000742392881 572575898 /nfs/dbraw/zinc/57/58/98/572575898.db2.gz UOMDOHOQTJNDNY-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000166298174 572811616 /nfs/dbraw/zinc/81/16/16/572811616.db2.gz ASESEECHPQEOJJ-DHSIGJKJSA-N 2 2 270.420 3.197 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CC2 ZINC000166298174 572811622 /nfs/dbraw/zinc/81/16/22/572811622.db2.gz ASESEECHPQEOJJ-DHSIGJKJSA-N 2 2 270.420 3.197 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1C(C)(C)C1(C)C ZINC000746599742 572884416 /nfs/dbraw/zinc/88/44/16/572884416.db2.gz ARMGKZFDEWZLSL-CYBMUJFWSA-N 2 2 298.434 3.428 20 0 CGADLP CC1(C)CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000079652188 618228065 /nfs/dbraw/zinc/22/80/65/618228065.db2.gz JNDYATIHPAFDRK-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000891725716 618262942 /nfs/dbraw/zinc/26/29/42/618262942.db2.gz UETQGCKURSRKJB-INIZCTEOSA-N 2 2 298.434 3.383 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000891725716 618262952 /nfs/dbraw/zinc/26/29/52/618262952.db2.gz UETQGCKURSRKJB-INIZCTEOSA-N 2 2 298.434 3.383 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)[nH]1 ZINC000891846691 618337995 /nfs/dbraw/zinc/33/79/95/618337995.db2.gz RRPXWDKCJNCOLT-UHFFFAOYSA-N 2 2 297.402 3.114 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1csc(C(F)(F)F)c1 ZINC000924538246 618806664 /nfs/dbraw/zinc/80/66/64/618806664.db2.gz HOCXZFCWWRUJNG-SECBINFHSA-N 2 2 280.359 3.369 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000926773657 618879507 /nfs/dbraw/zinc/87/95/07/618879507.db2.gz DXRXRUBKMNTKFK-ZDUSSCGKSA-N 2 2 281.469 3.304 20 0 CGADLP Cc1ccc(CC[NH2+]CCCCn2cc[nH+]c2)cc1C ZINC000892657865 618889146 /nfs/dbraw/zinc/88/91/46/618889146.db2.gz FDWNPTGITILFHC-UHFFFAOYSA-N 2 2 271.408 3.112 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000314174908 618961007 /nfs/dbraw/zinc/96/10/07/618961007.db2.gz PGJGNBDQVVFXJF-UHFFFAOYSA-N 2 2 285.435 3.326 20 0 CGADLP c1csc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000925517633 619010385 /nfs/dbraw/zinc/01/03/85/619010385.db2.gz WGNMIOLBLSWVJM-UONOGXRCSA-N 2 2 262.422 3.073 20 0 CGADLP CC(C)c1ccccc1OCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925597868 619079984 /nfs/dbraw/zinc/07/99/84/619079984.db2.gz OTLOXFBKRMTBME-KRWDZBQOSA-N 2 2 288.435 3.063 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cnc3ccccc3c2)c[nH+]1 ZINC000313418641 619171908 /nfs/dbraw/zinc/17/19/08/619171908.db2.gz BDBWEQTZJNTHTM-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509781 619190897 /nfs/dbraw/zinc/19/08/97/619190897.db2.gz AKULQMPETJCPAD-KRWDZBQOSA-N 2 2 267.376 3.173 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509781 619190899 /nfs/dbraw/zinc/19/08/99/619190899.db2.gz AKULQMPETJCPAD-KRWDZBQOSA-N 2 2 267.376 3.173 20 0 CGADLP CC1CC(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000931706978 619241733 /nfs/dbraw/zinc/24/17/33/619241733.db2.gz LBHNOFOLNUMORQ-VMBOVVBDSA-N 2 2 269.392 3.260 20 0 CGADLP CSc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000893980810 619344004 /nfs/dbraw/zinc/34/40/04/619344004.db2.gz OOLYDMXRXXMMNK-UHFFFAOYSA-N 2 2 277.393 3.035 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000893987150 619347536 /nfs/dbraw/zinc/34/75/36/619347536.db2.gz IMDGKWWBRYEFKU-UHFFFAOYSA-N 2 2 287.451 3.007 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000894000226 619349722 /nfs/dbraw/zinc/34/97/22/619349722.db2.gz XYUDVXKUAZUADC-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000894000226 619349723 /nfs/dbraw/zinc/34/97/23/619349723.db2.gz XYUDVXKUAZUADC-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP CC[C@H](C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110141 619733411 /nfs/dbraw/zinc/73/34/11/619733411.db2.gz ATARATVEKUZPRE-KKUMJFAQSA-N 2 2 261.413 3.204 20 0 CGADLP CC(C)[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110657 619733581 /nfs/dbraw/zinc/73/35/81/619733581.db2.gz SJIYIZPZLHKVBL-KKUMJFAQSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]([C@H]1CC1(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112219 619735215 /nfs/dbraw/zinc/73/52/15/619735215.db2.gz OOSOABYRSSLHHG-XDQVBPFNSA-N 2 2 295.377 3.202 20 0 CGADLP Cc1cc(NC2CCN(c3cc[nH+]cc3)CC2)c[nH+]c1C ZINC000895645320 619863853 /nfs/dbraw/zinc/86/38/53/619863853.db2.gz OYCUUHKSAFIVBQ-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706461 619873440 /nfs/dbraw/zinc/87/34/40/619873440.db2.gz LBTZQHXOIIRAFF-ARFHVFGLSA-N 2 2 287.432 3.108 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841811 619891872 /nfs/dbraw/zinc/89/18/72/619891872.db2.gz IMDNXTKJYWHHBX-SWLSCSKDSA-N 2 2 298.352 3.289 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841811 619891876 /nfs/dbraw/zinc/89/18/76/619891876.db2.gz IMDNXTKJYWHHBX-SWLSCSKDSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841811 619891878 /nfs/dbraw/zinc/89/18/78/619891878.db2.gz IMDNXTKJYWHHBX-SWLSCSKDSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@H]21 ZINC000895841811 619891881 /nfs/dbraw/zinc/89/18/81/619891881.db2.gz IMDNXTKJYWHHBX-SWLSCSKDSA-N 2 2 298.352 3.289 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2OC)[C@H](C)C1 ZINC000897482409 620349364 /nfs/dbraw/zinc/34/93/64/620349364.db2.gz RSMJZVWOTWUWLH-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2OC)[C@H](C)C1 ZINC000897482409 620349366 /nfs/dbraw/zinc/34/93/66/620349366.db2.gz RSMJZVWOTWUWLH-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000898308168 620509844 /nfs/dbraw/zinc/50/98/44/620509844.db2.gz QRLDGWQHXXPBAD-UHFFFAOYSA-N 2 2 283.847 3.063 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc(Cl)n1 ZINC000898308168 620509848 /nfs/dbraw/zinc/50/98/48/620509848.db2.gz QRLDGWQHXXPBAD-UHFFFAOYSA-N 2 2 283.847 3.063 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000898316044 620511636 /nfs/dbraw/zinc/51/16/36/620511636.db2.gz GMRFELPXXHJGRJ-RYUDHWBXSA-N 2 2 268.367 3.283 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436666 621317799 /nfs/dbraw/zinc/31/77/99/621317799.db2.gz FMIRBYYEWLNDIM-KBRIMQKVSA-N 2 2 286.444 3.284 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)cc1 ZINC000902473181 621324648 /nfs/dbraw/zinc/32/46/48/621324648.db2.gz TZHXBYAJXVYBGB-APIJFGDWSA-N 2 2 264.800 3.274 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902473815 621325288 /nfs/dbraw/zinc/32/52/88/621325288.db2.gz ACQAVIUBKCFKCM-QXSJWSMHSA-N 2 2 276.811 3.274 20 0 CGADLP c1csc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CCCC2)c1 ZINC000902475981 621326135 /nfs/dbraw/zinc/32/61/35/621326135.db2.gz KVIRUBCTUZMYRG-HLPPOEQASA-N 2 2 276.449 3.462 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc12 ZINC000902468340 621339550 /nfs/dbraw/zinc/33/95/50/621339550.db2.gz SHVBDAUIGJPAJV-RPLLJCPNSA-N 2 2 296.414 3.392 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902827070 621459276 /nfs/dbraw/zinc/45/92/76/621459276.db2.gz VRKVIDHFXIFLBY-BPQIPLTHSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902827070 621459285 /nfs/dbraw/zinc/45/92/85/621459285.db2.gz VRKVIDHFXIFLBY-BPQIPLTHSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C1CC=CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902842511 621470526 /nfs/dbraw/zinc/47/05/26/621470526.db2.gz WLNMMJTXJPYWKO-ZDUSSCGKSA-N 2 2 253.349 3.242 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902849183 621471939 /nfs/dbraw/zinc/47/19/39/621471939.db2.gz HYUDGXJNESRFTD-BZUAXINKSA-N 2 2 299.418 3.338 20 0 CGADLP CSC1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902975359 621518364 /nfs/dbraw/zinc/51/83/64/621518364.db2.gz GEHKQIIWHRKAHJ-CYBMUJFWSA-N 2 2 287.432 3.419 20 0 CGADLP COCC1(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903038361 621539646 /nfs/dbraw/zinc/53/96/46/621539646.db2.gz WZTLUMHNPGKZJA-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903040657 621540596 /nfs/dbraw/zinc/54/05/96/621540596.db2.gz DBPMAMAXBCNXQY-LSDHHAIUSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051420 621557183 /nfs/dbraw/zinc/55/71/83/621557183.db2.gz MAGPDQPRFIFPAX-VKJFTORMSA-N 2 2 299.418 3.481 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903090790 621566906 /nfs/dbraw/zinc/56/69/06/621566906.db2.gz HKAWIRRHYIRKCW-VHRNVKJDSA-N 2 2 292.373 3.212 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903090790 621566910 /nfs/dbraw/zinc/56/69/10/621566910.db2.gz HKAWIRRHYIRKCW-VHRNVKJDSA-N 2 2 292.373 3.212 20 0 CGADLP C([NH2+][C@@H]1CCOC12CCCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000903206255 621629519 /nfs/dbraw/zinc/62/95/19/621629519.db2.gz QDTBHXOMAXUBBZ-DLBZAZTESA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC12CCCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000903206255 621629524 /nfs/dbraw/zinc/62/95/24/621629524.db2.gz QDTBHXOMAXUBBZ-DLBZAZTESA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903223201 621634539 /nfs/dbraw/zinc/63/45/39/621634539.db2.gz XHKORXAMCGFKBL-KBPBESRZSA-N 2 2 281.469 3.119 20 0 CGADLP CC(C)C1CC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903379433 621721896 /nfs/dbraw/zinc/72/18/96/621721896.db2.gz GTYGCPZOZICTPF-OFLPRAFFSA-N 2 2 275.440 3.099 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856614 621821584 /nfs/dbraw/zinc/82/15/84/621821584.db2.gz AJMOAGZNESSCKA-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856614 621821588 /nfs/dbraw/zinc/82/15/88/621821588.db2.gz AJMOAGZNESSCKA-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903899411 621829664 /nfs/dbraw/zinc/82/96/64/621829664.db2.gz UOGPVMAOWLGRNJ-SNPRPXQTSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@@H]1c1ccccc1 ZINC000903899411 621829666 /nfs/dbraw/zinc/82/96/66/621829666.db2.gz UOGPVMAOWLGRNJ-SNPRPXQTSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917097 621836408 /nfs/dbraw/zinc/83/64/08/621836408.db2.gz KTRKFLXVGOEIMC-KGLIPLIRSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917097 621836410 /nfs/dbraw/zinc/83/64/10/621836410.db2.gz KTRKFLXVGOEIMC-KGLIPLIRSA-N 2 2 282.378 3.075 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000904340882 621909601 /nfs/dbraw/zinc/90/96/01/621909601.db2.gz MTULZNQDFDOCSU-JKSUJKDBSA-N 2 2 282.472 3.031 20 0 CGADLP COc1cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc2ccccc21 ZINC000904473964 621925640 /nfs/dbraw/zinc/92/56/40/621925640.db2.gz RKRMPNCQSVFWIL-CDJWAVJASA-N 2 2 296.414 3.251 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769407714 625568406 /nfs/dbraw/zinc/56/84/06/625568406.db2.gz QFLMYDUBWRHQRQ-HIFRSBDPSA-N 2 2 263.429 3.466 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000753674784 623478208 /nfs/dbraw/zinc/47/82/08/623478208.db2.gz PXGPRLKVQDBYIT-CJNGLKHVSA-N 2 2 290.451 3.304 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000753674784 623478222 /nfs/dbraw/zinc/47/82/22/623478222.db2.gz PXGPRLKVQDBYIT-CJNGLKHVSA-N 2 2 290.451 3.304 20 0 CGADLP C[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649728 624762141 /nfs/dbraw/zinc/76/21/41/624762141.db2.gz WVIHZVIBSRQQOH-OAHLLOKOSA-N 2 2 299.418 3.218 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000069221785 624812260 /nfs/dbraw/zinc/81/22/60/624812260.db2.gz RBYXCTBYKPXGTL-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000069221785 624812261 /nfs/dbraw/zinc/81/22/61/624812261.db2.gz RBYXCTBYKPXGTL-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000019959895 634411457 /nfs/dbraw/zinc/41/14/57/634411457.db2.gz FJOSMLHWZNCUKR-DOTOQJQBSA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000019959895 634411460 /nfs/dbraw/zinc/41/14/60/634411460.db2.gz FJOSMLHWZNCUKR-DOTOQJQBSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922511897 626010465 /nfs/dbraw/zinc/01/04/65/626010465.db2.gz YIULIVGORHVQKQ-QPKOPYBWSA-N 2 2 273.405 3.068 20 0 CGADLP CC(C)CCC[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922628831 626022058 /nfs/dbraw/zinc/02/20/58/626022058.db2.gz UNECEXSASQOGTG-INIZCTEOSA-N 2 2 263.429 3.100 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CC3)cc2)c[nH+]1 ZINC000923028147 626119565 /nfs/dbraw/zinc/11/95/65/626119565.db2.gz UMZDLJYIPAUVMH-KRWDZBQOSA-N 2 2 297.402 3.064 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753611924 626458774 /nfs/dbraw/zinc/45/87/74/626458774.db2.gz PVRAPMLYFMNVFQ-HOTGVXAUSA-N 2 2 290.451 3.447 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753611924 626458775 /nfs/dbraw/zinc/45/87/75/626458775.db2.gz PVRAPMLYFMNVFQ-HOTGVXAUSA-N 2 2 290.451 3.447 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000765255921 627243615 /nfs/dbraw/zinc/24/36/15/627243615.db2.gz AOTVAXODQCRCLH-LBPRGKRZSA-N 2 2 278.787 3.063 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000766267652 627308014 /nfs/dbraw/zinc/30/80/14/627308014.db2.gz HAHMYPDBCXZWLZ-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000766267652 627308018 /nfs/dbraw/zinc/30/80/18/627308018.db2.gz HAHMYPDBCXZWLZ-XJKSGUPXSA-N 2 2 264.388 3.351 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766273066 627309691 /nfs/dbraw/zinc/30/96/91/627309691.db2.gz MVROCLJCVAYYOZ-LSDHHAIUSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766273066 627309693 /nfs/dbraw/zinc/30/96/93/627309693.db2.gz MVROCLJCVAYYOZ-LSDHHAIUSA-N 2 2 260.425 3.384 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000766271332 627310266 /nfs/dbraw/zinc/31/02/66/627310266.db2.gz DCPCWCPNABHCDB-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000766271332 627310268 /nfs/dbraw/zinc/31/02/68/627310268.db2.gz DCPCWCPNABHCDB-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)o1 ZINC000767350638 627400163 /nfs/dbraw/zinc/40/01/63/627400163.db2.gz MWKQGSVLDGLHJJ-HNNXBMFYSA-N 2 2 275.396 3.297 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772443865 627791767 /nfs/dbraw/zinc/79/17/67/627791767.db2.gz JTKXKQNJWJTPDK-HOCLYGCPSA-N 2 2 286.423 3.352 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000774211431 627963485 /nfs/dbraw/zinc/96/34/85/627963485.db2.gz TYSCVJROBBFVHJ-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000774211431 627963486 /nfs/dbraw/zinc/96/34/86/627963486.db2.gz TYSCVJROBBFVHJ-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccoc2)CC1 ZINC000775203099 628071604 /nfs/dbraw/zinc/07/16/04/628071604.db2.gz JSCGOVRYNABDIS-UHFFFAOYSA-N 2 2 272.348 3.026 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302172 628480158 /nfs/dbraw/zinc/48/01/58/628480158.db2.gz FCENGBMPKQSQJE-CVEARBPZSA-N 2 2 281.403 3.319 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302172 628480160 /nfs/dbraw/zinc/48/01/60/628480160.db2.gz FCENGBMPKQSQJE-CVEARBPZSA-N 2 2 281.403 3.319 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780531764 628495822 /nfs/dbraw/zinc/49/58/22/628495822.db2.gz YNCAIOFYLOELLV-NEWSRXKRSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000780531764 628495826 /nfs/dbraw/zinc/49/58/26/628495826.db2.gz YNCAIOFYLOELLV-NEWSRXKRSA-N 2 2 286.463 3.472 20 0 CGADLP Clc1ccc2c(n1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000788508762 629060760 /nfs/dbraw/zinc/06/07/60/629060760.db2.gz VAXIIGHTYAVHFW-AWEZNQCLSA-N 2 2 293.842 3.188 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(F)(F)C1 ZINC000862274955 629335651 /nfs/dbraw/zinc/33/56/51/629335651.db2.gz YBHJFCFWUXAEGM-LBPRGKRZSA-N 2 2 291.345 3.396 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccnc(F)c1C ZINC000862367872 629354459 /nfs/dbraw/zinc/35/44/59/629354459.db2.gz XWBLPCIYWVORNH-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccnc(F)c1C ZINC000862367872 629354461 /nfs/dbraw/zinc/35/44/61/629354461.db2.gz XWBLPCIYWVORNH-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(SC(F)F)cc2)C[NH2+]1 ZINC000863484833 629588183 /nfs/dbraw/zinc/58/81/83/629588183.db2.gz NPVFDPBQNPFTPK-JQWIXIFHSA-N 2 2 286.391 3.231 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000863548684 629605310 /nfs/dbraw/zinc/60/53/10/629605310.db2.gz RLQWAHIVSKEHFV-NZVBXONLSA-N 2 2 264.800 3.057 20 0 CGADLP Cl/C=C/C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438302 629781071 /nfs/dbraw/zinc/78/10/71/629781071.db2.gz UVEYLKCHYNUYSS-QVNOTHCHSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438302 629781074 /nfs/dbraw/zinc/78/10/74/629781074.db2.gz UVEYLKCHYNUYSS-QVNOTHCHSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796438302 629781080 /nfs/dbraw/zinc/78/10/80/629781080.db2.gz UVEYLKCHYNUYSS-QVNOTHCHSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C/C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438302 629781087 /nfs/dbraw/zinc/78/10/87/629781087.db2.gz UVEYLKCHYNUYSS-QVNOTHCHSA-N 2 2 290.838 3.337 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)n1 ZINC000797590283 629964631 /nfs/dbraw/zinc/96/46/31/629964631.db2.gz SGDPGAFZQWBADT-UHFFFAOYSA-N 2 2 290.798 3.146 20 0 CGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc(Cl)n1 ZINC000797601097 629968679 /nfs/dbraw/zinc/96/86/79/629968679.db2.gz LVQXDFMCTLGHFV-UHFFFAOYSA-N 2 2 290.798 3.030 20 0 CGADLP FC(F)(F)c1c[nH+]ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865508637 630159981 /nfs/dbraw/zinc/15/99/81/630159981.db2.gz LSOJRUMBQBOTEI-LLVKDONJSA-N 2 2 296.296 3.138 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000800475467 630283740 /nfs/dbraw/zinc/28/37/40/630283740.db2.gz CWFVZDGEJBHICH-XHSDSOJGSA-N 2 2 293.455 3.093 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800968308 630314212 /nfs/dbraw/zinc/31/42/12/630314212.db2.gz JNNDSPSRSIVPOM-OAGGEKHMSA-N 2 2 275.440 3.466 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C)oc1C ZINC000809749270 630798831 /nfs/dbraw/zinc/79/88/31/630798831.db2.gz LWLOYQYDGHLYEF-UHFFFAOYSA-N 2 2 266.429 3.450 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C)oc1C ZINC000809749270 630798835 /nfs/dbraw/zinc/79/88/35/630798835.db2.gz LWLOYQYDGHLYEF-UHFFFAOYSA-N 2 2 266.429 3.450 20 0 CGADLP c1c(CC[NH2+]C2CC3(C2)CCCCC3)[nH+]c2n1CCCC2 ZINC000817407219 632139984 /nfs/dbraw/zinc/13/99/84/632139984.db2.gz FWOLRRRPZPPKQR-UHFFFAOYSA-N 2 2 287.451 3.464 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@H](C)C[NH3+])ccc1SC(F)F ZINC000817966803 632261072 /nfs/dbraw/zinc/26/10/72/632261072.db2.gz VVHJWYDFNRSKNQ-RKDXNWHRSA-N 2 2 290.379 3.008 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000817968880 632262012 /nfs/dbraw/zinc/26/20/12/632262012.db2.gz OMYUDRWDHCCPMB-GMXABZIVSA-N 2 2 296.842 3.306 20 0 CGADLP [NH3+]CCCCCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000818620328 632343661 /nfs/dbraw/zinc/34/36/61/632343661.db2.gz XFZYYDZFHLRDGE-UHFFFAOYSA-N 2 2 273.380 3.160 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866218516 633034100 /nfs/dbraw/zinc/03/41/00/633034100.db2.gz QTTGZYMFHDZZDS-SNVBAGLBSA-N 2 2 293.798 3.226 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000866390331 633117978 /nfs/dbraw/zinc/11/79/78/633117978.db2.gz MWSOUSYQFSUDRW-IAGOWNOFSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@]1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1(Cl)Cl ZINC000824764485 633284565 /nfs/dbraw/zinc/28/45/65/633284565.db2.gz BCXOECXBFLPKGA-GFCCVEGCSA-N 2 2 284.190 3.008 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971664 633313139 /nfs/dbraw/zinc/31/31/39/633313139.db2.gz WLWMCNUELWRYIP-KGYLQXTDSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824971664 633313140 /nfs/dbraw/zinc/31/31/40/633313140.db2.gz WLWMCNUELWRYIP-KGYLQXTDSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971667 633313274 /nfs/dbraw/zinc/31/32/74/633313274.db2.gz WLWMCNUELWRYIP-WXHSDQCUSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824971667 633313278 /nfs/dbraw/zinc/31/32/78/633313278.db2.gz WLWMCNUELWRYIP-WXHSDQCUSA-N 2 2 291.266 3.033 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000827519943 633496194 /nfs/dbraw/zinc/49/61/94/633496194.db2.gz XFZSGDOLYHXYMU-AWEZNQCLSA-N 2 2 284.806 3.096 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000827519943 633496195 /nfs/dbraw/zinc/49/61/95/633496195.db2.gz XFZSGDOLYHXYMU-AWEZNQCLSA-N 2 2 284.806 3.096 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872021182 633942642 /nfs/dbraw/zinc/94/26/42/633942642.db2.gz OCIKEHZXGGGRJE-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023838 633945083 /nfs/dbraw/zinc/94/50/83/633945083.db2.gz WCZJNXOBBQDFCJ-BRWVUGGUSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000872023838 633945088 /nfs/dbraw/zinc/94/50/88/633945088.db2.gz WCZJNXOBBQDFCJ-BRWVUGGUSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1CCCOC1 ZINC000872024322 633945135 /nfs/dbraw/zinc/94/51/35/633945135.db2.gz QCQCJAHUPUHKNL-PMPSAXMXSA-N 2 2 293.455 3.093 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872068774 633990850 /nfs/dbraw/zinc/99/08/50/633990850.db2.gz ZJICZAXSCZSTNY-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872068774 633990855 /nfs/dbraw/zinc/99/08/55/633990855.db2.gz ZJICZAXSCZSTNY-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872086067 634012029 /nfs/dbraw/zinc/01/20/29/634012029.db2.gz RHCSTNUQZVSRSQ-YESZJQIVSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000872089611 634015873 /nfs/dbraw/zinc/01/58/73/634015873.db2.gz AUIHEFWDWKCEDW-XIRDDKMYSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000872089611 634015879 /nfs/dbraw/zinc/01/58/79/634015879.db2.gz AUIHEFWDWKCEDW-XIRDDKMYSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872100097 634019898 /nfs/dbraw/zinc/01/98/98/634019898.db2.gz HBDPUYGOPATRAI-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000873029598 634234639 /nfs/dbraw/zinc/23/46/39/634234639.db2.gz LSRAREUICSKTDH-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000873029598 634234650 /nfs/dbraw/zinc/23/46/50/634234650.db2.gz LSRAREUICSKTDH-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CC1(C)CC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)[NH2+]C1 ZINC000873236747 634297096 /nfs/dbraw/zinc/29/70/96/634297096.db2.gz JKCNRIKLAUFIRZ-IRXDYDNUSA-N 2 2 287.451 3.291 20 0 CGADLP Cc1cc([NH+](C)C)cc(C)c1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000841012052 635106196 /nfs/dbraw/zinc/10/61/96/635106196.db2.gz XSBULZZEEIMICE-CABCVRRESA-N 2 2 275.440 3.169 20 0 CGADLP Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841012052 635106197 /nfs/dbraw/zinc/10/61/97/635106197.db2.gz XSBULZZEEIMICE-CABCVRRESA-N 2 2 275.440 3.169 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841085620 635119689 /nfs/dbraw/zinc/11/96/89/635119689.db2.gz JADWWBWARVOBDO-GFCCVEGCSA-N 2 2 286.391 3.231 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000877650847 635131535 /nfs/dbraw/zinc/13/15/35/635131535.db2.gz OLAFXOZWXZZRLA-WCQYABFASA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000877650847 635131539 /nfs/dbraw/zinc/13/15/39/635131539.db2.gz OLAFXOZWXZZRLA-WCQYABFASA-N 2 2 291.266 3.177 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738400 635171802 /nfs/dbraw/zinc/17/18/02/635171802.db2.gz BNOAVZLXKSXNFR-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738400 635171806 /nfs/dbraw/zinc/17/18/06/635171806.db2.gz BNOAVZLXKSXNFR-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738400 635171811 /nfs/dbraw/zinc/17/18/11/635171811.db2.gz BNOAVZLXKSXNFR-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738400 635171818 /nfs/dbraw/zinc/17/18/18/635171818.db2.gz BNOAVZLXKSXNFR-BBRMVZONSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744497 635180135 /nfs/dbraw/zinc/18/01/35/635180135.db2.gz UVWTVNSVMGCEDJ-LUHHUPOISA-N 2 2 290.838 3.379 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744497 635180139 /nfs/dbraw/zinc/18/01/39/635180139.db2.gz UVWTVNSVMGCEDJ-LUHHUPOISA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744497 635180147 /nfs/dbraw/zinc/18/01/47/635180147.db2.gz UVWTVNSVMGCEDJ-LUHHUPOISA-N 2 2 290.838 3.379 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)CC[C@H]21 ZINC000877744497 635180151 /nfs/dbraw/zinc/18/01/51/635180151.db2.gz UVWTVNSVMGCEDJ-LUHHUPOISA-N 2 2 290.838 3.379 20 0 CGADLP CC1(C)C[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252902 635434762 /nfs/dbraw/zinc/43/47/62/635434762.db2.gz YNWQNYKADYTAID-KBPBESRZSA-N 2 2 291.439 3.183 20 0 CGADLP CC1(C)C[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252902 635434771 /nfs/dbraw/zinc/43/47/71/635434771.db2.gz YNWQNYKADYTAID-KBPBESRZSA-N 2 2 291.439 3.183 20 0 CGADLP COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1C ZINC000843127269 635562402 /nfs/dbraw/zinc/56/24/02/635562402.db2.gz DMTYSXNJROKXKR-MRXNPFEDSA-N 2 2 288.435 3.076 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c2ccccc2n1 ZINC000880129718 635919612 /nfs/dbraw/zinc/91/96/12/635919612.db2.gz AAXIHYQPEWXMEC-MOPGFXCFSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c2ccccc2n1 ZINC000880129718 635919616 /nfs/dbraw/zinc/91/96/16/635919616.db2.gz AAXIHYQPEWXMEC-MOPGFXCFSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129718 635919620 /nfs/dbraw/zinc/91/96/20/635919620.db2.gz AAXIHYQPEWXMEC-MOPGFXCFSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129718 635919622 /nfs/dbraw/zinc/91/96/22/635919622.db2.gz AAXIHYQPEWXMEC-MOPGFXCFSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371336 635983943 /nfs/dbraw/zinc/98/39/43/635983943.db2.gz FQRULVOYDOSQDW-QGZVFWFLSA-N 2 2 269.392 3.203 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371336 635983947 /nfs/dbraw/zinc/98/39/47/635983947.db2.gz FQRULVOYDOSQDW-QGZVFWFLSA-N 2 2 269.392 3.203 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536453 636015823 /nfs/dbraw/zinc/01/58/23/636015823.db2.gz LHFZVVWJXDVDOB-KSSFIOAISA-N 2 2 281.403 3.287 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536453 636015826 /nfs/dbraw/zinc/01/58/26/636015826.db2.gz LHFZVVWJXDVDOB-KSSFIOAISA-N 2 2 281.403 3.287 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCOCC2CCC2)c2ccccc2)c[nH+]1 ZINC000880569015 636023110 /nfs/dbraw/zinc/02/31/10/636023110.db2.gz GLUQCYHMPAEDDA-GOSISDBHSA-N 2 2 299.418 3.031 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129448863 636261517 /nfs/dbraw/zinc/26/15/17/636261517.db2.gz YRFOPRBWSAVYJO-KGLIPLIRSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131032729 636545983 /nfs/dbraw/zinc/54/59/83/636545983.db2.gz YLHWNXRDJOCQLZ-IUODEOHRSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131032729 636545996 /nfs/dbraw/zinc/54/59/96/636545996.db2.gz YLHWNXRDJOCQLZ-IUODEOHRSA-N 2 2 258.365 3.135 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848514954 636582819 /nfs/dbraw/zinc/58/28/19/636582819.db2.gz UTUWNEAKNUQKAL-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000848553472 636602797 /nfs/dbraw/zinc/60/27/97/636602797.db2.gz TYRFOBINRMCSBJ-AWEZNQCLSA-N 2 2 269.392 3.180 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000848575199 636613666 /nfs/dbraw/zinc/61/36/66/636613666.db2.gz LUZYGIZKOYZAJJ-OWSLCNJRSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000848575199 636613689 /nfs/dbraw/zinc/61/36/89/636613689.db2.gz LUZYGIZKOYZAJJ-OWSLCNJRSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000883265576 636635968 /nfs/dbraw/zinc/63/59/68/636635968.db2.gz FQFUEHKNZLRTHT-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000883265576 636635969 /nfs/dbraw/zinc/63/59/69/636635969.db2.gz FQFUEHKNZLRTHT-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131631968 636703068 /nfs/dbraw/zinc/70/30/68/636703068.db2.gz PAXAESUZZTZXNO-ZFWWWQNUSA-N 2 2 287.432 3.419 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387326 636728225 /nfs/dbraw/zinc/72/82/25/636728225.db2.gz VVNXHVUELZVCOB-GUYCJALGSA-N 2 2 295.390 3.007 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000883387784 636729248 /nfs/dbraw/zinc/72/92/48/636729248.db2.gz FCVGRGHGISEORF-MVJTYMMSSA-N 2 2 299.418 3.170 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000085384896 636773322 /nfs/dbraw/zinc/77/33/22/636773322.db2.gz ZWMCIFJIVCEKMM-QLFBSQMISA-N 2 2 293.455 3.091 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850491915 637090045 /nfs/dbraw/zinc/09/00/45/637090045.db2.gz BKADMMVBOVXROD-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850491915 637090048 /nfs/dbraw/zinc/09/00/48/637090048.db2.gz BKADMMVBOVXROD-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924553401 638360126 /nfs/dbraw/zinc/36/01/26/638360126.db2.gz QRHVQRPMYVOTQQ-AWEZNQCLSA-N 2 2 289.448 3.216 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000924573538 638366166 /nfs/dbraw/zinc/36/61/66/638366166.db2.gz QDQPEJRKHPCMFP-CABCVRRESA-N 2 2 291.439 3.005 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000924573538 638366169 /nfs/dbraw/zinc/36/61/69/638366169.db2.gz QDQPEJRKHPCMFP-CABCVRRESA-N 2 2 291.439 3.005 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924627507 638379214 /nfs/dbraw/zinc/37/92/14/638379214.db2.gz BRNBPYWNIJVZTQ-CYBMUJFWSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(Cl)CC1 ZINC000924885550 638420254 /nfs/dbraw/zinc/42/02/54/638420254.db2.gz GJFWNIROVCEZCC-RYUDHWBXSA-N 2 2 295.858 3.245 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925640301 638553949 /nfs/dbraw/zinc/55/39/49/638553949.db2.gz RMTLJCOKQOECOV-ZFWWWQNUSA-N 2 2 276.449 3.390 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000925665430 638562445 /nfs/dbraw/zinc/56/24/45/638562445.db2.gz KJCYUBVRNLJFDY-PWSUYJOCSA-N 2 2 274.330 3.253 20 0 CGADLP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925689254 638569593 /nfs/dbraw/zinc/56/95/93/638569593.db2.gz BXSMHETWGFZXHB-LERXQTSPSA-N 2 2 294.801 3.209 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)noc2c1 ZINC000925709837 638575388 /nfs/dbraw/zinc/57/53/88/638575388.db2.gz ADPDTMHNMFIJJJ-HZPDHXFCSA-N 2 2 299.418 3.086 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925731052 638585718 /nfs/dbraw/zinc/58/57/18/638585718.db2.gz JDWJLFZCWXHCEU-JLSDUUJJSA-N 2 2 286.419 3.044 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925838498 638628733 /nfs/dbraw/zinc/62/87/33/638628733.db2.gz MTHMREHHXZHFPA-DRPJVOAASA-N 2 2 294.389 3.156 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858111849 638632569 /nfs/dbraw/zinc/63/25/69/638632569.db2.gz VXKMVVUYBHBDFB-KKXDTOCCSA-N 2 2 281.403 3.397 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223726 638746478 /nfs/dbraw/zinc/74/64/78/638746478.db2.gz CXYMRFQXAUZDBX-MGPQQGTHSA-N 2 2 261.413 3.002 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926343982 638764535 /nfs/dbraw/zinc/76/45/35/638764535.db2.gz IJGXODODDKXMKO-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926343982 638764536 /nfs/dbraw/zinc/76/45/36/638764536.db2.gz IJGXODODDKXMKO-MJBXVCDLSA-N 2 2 272.383 3.028 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926472497 638774859 /nfs/dbraw/zinc/77/48/59/638774859.db2.gz JWWCWIRWSRFRIB-VQIMIIECSA-N 2 2 297.446 3.267 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746231 638806685 /nfs/dbraw/zinc/80/66/85/638806685.db2.gz QTTHGHGOQXQVBB-OKZBNKHCSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746231 638806686 /nfs/dbraw/zinc/80/66/86/638806686.db2.gz QTTHGHGOQXQVBB-OKZBNKHCSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805448 638814170 /nfs/dbraw/zinc/81/41/70/638814170.db2.gz UKPLTQRXKAIFFC-CIRFHOKZSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805448 638814171 /nfs/dbraw/zinc/81/41/71/638814171.db2.gz UKPLTQRXKAIFFC-CIRFHOKZSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959748 638829390 /nfs/dbraw/zinc/82/93/90/638829390.db2.gz SUNZAPCXIOPSFN-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000926959748 638829392 /nfs/dbraw/zinc/82/93/92/638829392.db2.gz SUNZAPCXIOPSFN-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CCc2cccc(F)c2)CC1 ZINC000931463463 639154119 /nfs/dbraw/zinc/15/41/19/639154119.db2.gz DLMBNBFBMXPHPL-UHFFFAOYSA-N 2 2 290.426 3.319 20 0 CGADLP C[C@@H]([NH2+]CCOC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000193492426 640465160 /nfs/dbraw/zinc/46/51/60/640465160.db2.gz NGLJASOTZJITSO-LLVKDONJSA-N 2 2 299.296 3.059 20 0 CGADLP Cc1ccc2cc[nH+]c(N(C)CC3CC[NH+](C)CC3)c2c1 ZINC000564893324 721933739 /nfs/dbraw/zinc/93/37/39/721933739.db2.gz LHSKPISMSJKQEQ-UHFFFAOYSA-N 2 2 283.419 3.321 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc(-c3ccccc3)cc[nH+]1)C2 ZINC001156376898 805678841 /nfs/dbraw/zinc/67/88/41/805678841.db2.gz VWAFLDOOSKMRQW-IEBWSBKVSA-N 2 2 293.414 3.137 20 0 CGADLP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4ccc(C)cc43)C[C@@H]2C1 ZINC001157688670 805852856 /nfs/dbraw/zinc/85/28/56/805852856.db2.gz FMCZLIDFGWEGJO-IRXDYDNUSA-N 2 2 295.430 3.321 20 0 CGADLP CN(C)c1ccc(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001159113425 806044024 /nfs/dbraw/zinc/04/40/24/806044024.db2.gz QPIYDRHNHLBMMC-INIZCTEOSA-N 2 2 282.391 3.316 20 0 CGADLP c1c[nH+]c(-c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2)[nH]1 ZINC001159603212 806128982 /nfs/dbraw/zinc/12/89/82/806128982.db2.gz CSFQWOYHBCJIKG-UHFFFAOYSA-N 2 2 290.370 3.466 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001159731068 806163145 /nfs/dbraw/zinc/16/31/45/806163145.db2.gz WWCPEEDOJKABHY-UHFFFAOYSA-N 2 2 269.348 3.172 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC001159831940 806182288 /nfs/dbraw/zinc/18/22/88/806182288.db2.gz BUMNGNCEJGEQQM-MRXNPFEDSA-N 2 2 279.387 3.437 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(N2CC([NH3+])C2)c1 ZINC001159989083 806209649 /nfs/dbraw/zinc/20/96/49/806209649.db2.gz UJGLDKHWAWFRMO-UHFFFAOYSA-N 2 2 294.402 3.158 20 0 CGADLP FC1(F)CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001254225054 806372168 /nfs/dbraw/zinc/37/21/68/806372168.db2.gz FMMJFJMGADCCRR-UHFFFAOYSA-N 2 2 269.339 3.098 20 0 CGADLP CC(C)(Cc1ccc(F)cc1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254834129 806493164 /nfs/dbraw/zinc/49/31/64/806493164.db2.gz BLFLCSQOOUOLNR-QGZVFWFLSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853327 806498862 /nfs/dbraw/zinc/49/88/62/806498862.db2.gz MZBVASARIFSHRQ-YOEHRIQHSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853327 806498869 /nfs/dbraw/zinc/49/88/69/806498869.db2.gz MZBVASARIFSHRQ-YOEHRIQHSA-N 2 2 270.420 3.090 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001255326046 806612859 /nfs/dbraw/zinc/61/28/59/806612859.db2.gz NXHKALWXFAQCCF-CGTJXYLNSA-N 2 2 287.451 3.024 20 0 CGADLP C[N@H+](C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001255513337 806658084 /nfs/dbraw/zinc/65/80/84/806658084.db2.gz CEPFOJYKVDVEAM-UHFFFAOYSA-N 2 2 278.362 3.134 20 0 CGADLP C[N@@H+](C1CCC(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC001255513337 806658087 /nfs/dbraw/zinc/65/80/87/806658087.db2.gz CEPFOJYKVDVEAM-UHFFFAOYSA-N 2 2 278.362 3.134 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001255514868 806659012 /nfs/dbraw/zinc/65/90/12/806659012.db2.gz VWWBKAFHOMCUNN-UHFFFAOYSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001255514868 806659014 /nfs/dbraw/zinc/65/90/14/806659014.db2.gz VWWBKAFHOMCUNN-UHFFFAOYSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)nc(C)[nH+]1 ZINC001162898845 806680753 /nfs/dbraw/zinc/68/07/53/806680753.db2.gz IRVSSKVTPXLFTG-NSHDSACASA-N 2 2 266.348 3.057 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1 ZINC000037156421 798861274 /nfs/dbraw/zinc/86/12/74/798861274.db2.gz GAOGQKFULXVITH-HNNXBMFYSA-N 2 2 257.381 3.088 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1 ZINC000037156569 798861793 /nfs/dbraw/zinc/86/17/93/798861793.db2.gz FOLQCGJICFYUPE-HIFRSBDPSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1 ZINC000037156670 798862091 /nfs/dbraw/zinc/86/20/91/798862091.db2.gz ZXZORYUXGVPASA-BBRMVZONSA-N 2 2 287.407 3.354 20 0 CGADLP CC(C)[N@H+]([C@@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC001255663583 806698391 /nfs/dbraw/zinc/69/83/91/806698391.db2.gz JJHQHCQYPMJKRC-NSHDSACASA-N 2 2 266.351 3.132 20 0 CGADLP CC(C)[N@@H+]([C@@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC001255663583 806698395 /nfs/dbraw/zinc/69/83/95/806698395.db2.gz JJHQHCQYPMJKRC-NSHDSACASA-N 2 2 266.351 3.132 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)CC(F)(F)F)C1 ZINC001255665361 806700501 /nfs/dbraw/zinc/70/05/01/806700501.db2.gz XJVYGIQPADDPOW-NEPJUHHUSA-N 2 2 288.313 3.184 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)CC(F)(F)F)C1 ZINC001255665361 806700506 /nfs/dbraw/zinc/70/05/06/806700506.db2.gz XJVYGIQPADDPOW-NEPJUHHUSA-N 2 2 288.313 3.184 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382219838 799393789 /nfs/dbraw/zinc/39/37/89/799393789.db2.gz FCDNIPPYXOXEJW-SSHXOBKSSA-N 2 2 275.440 3.466 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+](C)C ZINC000382276808 799394859 /nfs/dbraw/zinc/39/48/59/799394859.db2.gz NWIAPDVOJXSDEN-FJBKBRRZSA-N 2 2 252.446 3.131 20 0 CGADLP CSC(C)(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000385199783 799423812 /nfs/dbraw/zinc/42/38/12/799423812.db2.gz FKTUAJLEMAFDLY-UHFFFAOYSA-N 2 2 293.480 3.172 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001255783825 806749688 /nfs/dbraw/zinc/74/96/88/806749688.db2.gz JBSQXIAJBODTNY-OXQOHEQNSA-N 2 2 294.442 3.312 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001255783825 806749691 /nfs/dbraw/zinc/74/96/91/806749691.db2.gz JBSQXIAJBODTNY-OXQOHEQNSA-N 2 2 294.442 3.312 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000390773312 799474655 /nfs/dbraw/zinc/47/46/55/799474655.db2.gz KZUZSNFLZUAPAQ-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000390773312 799474659 /nfs/dbraw/zinc/47/46/59/799474659.db2.gz KZUZSNFLZUAPAQ-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP Cc1ccc(C[C@@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC001255791949 806754239 /nfs/dbraw/zinc/75/42/39/806754239.db2.gz HKCDFAPBIDPJBH-NVXWUHKLSA-N 2 2 283.419 3.462 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000405402066 799584007 /nfs/dbraw/zinc/58/40/07/799584007.db2.gz KJZXVAXAWYUVHB-IKGGRYGDSA-N 2 2 282.387 3.229 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527999113 799669405 /nfs/dbraw/zinc/66/94/05/799669405.db2.gz FFKMOWQNTMMUOR-OWCLPIDISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527999113 799669409 /nfs/dbraw/zinc/66/94/09/799669409.db2.gz FFKMOWQNTMMUOR-OWCLPIDISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000689405685 799764878 /nfs/dbraw/zinc/76/48/78/799764878.db2.gz IUFGWSMUWCTVHR-RDBSUJKOSA-N 2 2 281.469 3.172 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001255866205 806775057 /nfs/dbraw/zinc/77/50/57/806775057.db2.gz NBUOYWHGCMFVEB-LIRRHRJNSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001255866205 806775064 /nfs/dbraw/zinc/77/50/64/806775064.db2.gz NBUOYWHGCMFVEB-LIRRHRJNSA-N 2 2 298.405 3.142 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC001255945616 806792682 /nfs/dbraw/zinc/79/26/82/806792682.db2.gz LRDWQNIULUJPKT-CJNGLKHVSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000708836178 799997000 /nfs/dbraw/zinc/99/70/00/799997000.db2.gz GUOKMQCCFSQYBU-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000708836178 799997008 /nfs/dbraw/zinc/99/70/08/799997008.db2.gz GUOKMQCCFSQYBU-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP Cc1cccc(N2CCN(c3ccc(C(C)C)c[nH+]3)CC2)[nH+]1 ZINC001163666871 806797957 /nfs/dbraw/zinc/79/79/57/806797957.db2.gz XJGKRWNHJIAEAK-UHFFFAOYSA-N 2 2 296.418 3.235 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)C1 ZINC000722391844 800320920 /nfs/dbraw/zinc/32/09/20/800320920.db2.gz JJEBEQWBUGCLIA-YRGRVCCFSA-N 2 2 281.469 3.119 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256113604 806824865 /nfs/dbraw/zinc/82/48/65/806824865.db2.gz NLQUKFIQKRHRHK-DLBZAZTESA-N 2 2 283.419 3.279 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc2ccc(C)cc2c[nH+]1 ZINC001163916618 806850832 /nfs/dbraw/zinc/85/08/32/806850832.db2.gz DHWHEWIJDDMWBI-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536305 806912045 /nfs/dbraw/zinc/91/20/45/806912045.db2.gz CSGNZZYFLQSMTC-OIISXLGYSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536305 806912049 /nfs/dbraw/zinc/91/20/49/806912049.db2.gz CSGNZZYFLQSMTC-OIISXLGYSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536305 806912051 /nfs/dbraw/zinc/91/20/51/806912051.db2.gz CSGNZZYFLQSMTC-OIISXLGYSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536305 806912057 /nfs/dbraw/zinc/91/20/57/806912057.db2.gz CSGNZZYFLQSMTC-OIISXLGYSA-N 2 2 276.399 3.083 20 0 CGADLP Cc1cn2c(cccc2Nc2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC001176288935 809661621 /nfs/dbraw/zinc/66/16/21/809661621.db2.gz BNVJNEFJIJYUKI-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP [NH3+]CCc1cccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001243977878 803116677 /nfs/dbraw/zinc/11/66/77/803116677.db2.gz ADMYEZXBDHXIRH-UHFFFAOYSA-N 2 2 263.344 3.245 20 0 CGADLP C[NH+](C)CC1(C[N@H+](Cc2ccco2)C2CC2)CCCC1 ZINC001208186950 813735354 /nfs/dbraw/zinc/73/53/54/813735354.db2.gz BXSXLIQZEGCGLJ-UHFFFAOYSA-N 2 2 276.424 3.366 20 0 CGADLP C[NH+](C)CC1(C[N@@H+](Cc2ccco2)C2CC2)CCCC1 ZINC001208186950 813735356 /nfs/dbraw/zinc/73/53/56/813735356.db2.gz BXSXLIQZEGCGLJ-UHFFFAOYSA-N 2 2 276.424 3.366 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082586 813929083 /nfs/dbraw/zinc/92/90/83/813929083.db2.gz XEQBSMYSJKWJIX-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082586 813929089 /nfs/dbraw/zinc/92/90/89/813929089.db2.gz XEQBSMYSJKWJIX-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082586 813929097 /nfs/dbraw/zinc/92/90/97/813929097.db2.gz XEQBSMYSJKWJIX-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@@H]2C1 ZINC001209082586 813929103 /nfs/dbraw/zinc/92/91/03/813929103.db2.gz XEQBSMYSJKWJIX-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP Oc1cc(Cl)ccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244469132 803386185 /nfs/dbraw/zinc/38/61/85/803386185.db2.gz BUNLDNXTQTYJJW-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP CNc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244828810 803539900 /nfs/dbraw/zinc/53/99/00/803539900.db2.gz NWBUGFOWBAJVEW-KRWDZBQOSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244828810 803539903 /nfs/dbraw/zinc/53/99/03/803539903.db2.gz NWBUGFOWBAJVEW-KRWDZBQOSA-N 2 2 299.393 3.067 20 0 CGADLP Cn1ccc2c1cc[nH+]c2-c1cccc(C[NH+](C)C)c1F ZINC001244862214 803553586 /nfs/dbraw/zinc/55/35/86/803553586.db2.gz FSDHGWBVFWBWPS-UHFFFAOYSA-N 2 2 283.350 3.441 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001137027106 803673490 /nfs/dbraw/zinc/67/34/90/803673490.db2.gz BYCBOESHTNTWOR-UHFFFAOYSA-N 2 2 288.435 3.023 20 0 CGADLP Cc1cc(F)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001245544535 803803414 /nfs/dbraw/zinc/80/34/14/803803414.db2.gz KBSBALKVTVPSHM-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP CC(C)[N@H+](Cc1ccc(N(C)C)s1)C1CC[NH+](C)CC1 ZINC001138493393 803952258 /nfs/dbraw/zinc/95/22/58/803952258.db2.gz ZUVMRBVPZFBPAF-UHFFFAOYSA-N 2 2 295.496 3.119 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(N(C)C)s1)C1CC[NH+](C)CC1 ZINC001138493393 803952265 /nfs/dbraw/zinc/95/22/65/803952265.db2.gz ZUVMRBVPZFBPAF-UHFFFAOYSA-N 2 2 295.496 3.119 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138723537 804019871 /nfs/dbraw/zinc/01/98/71/804019871.db2.gz SHHIIZSOLKJDSB-OKILXGFUSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138723537 804019879 /nfs/dbraw/zinc/01/98/79/804019879.db2.gz SHHIIZSOLKJDSB-OKILXGFUSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138723537 804019887 /nfs/dbraw/zinc/01/98/87/804019887.db2.gz SHHIIZSOLKJDSB-OKILXGFUSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138723537 804019896 /nfs/dbraw/zinc/01/98/96/804019896.db2.gz SHHIIZSOLKJDSB-OKILXGFUSA-N 2 2 278.827 3.032 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246077807 804116393 /nfs/dbraw/zinc/11/63/93/804116393.db2.gz UGACQMWBYOMKSG-PBHICJAKSA-N 2 2 286.806 3.097 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115227 804146908 /nfs/dbraw/zinc/14/69/08/804146908.db2.gz YBNHFLMZZBRZKU-ZACQAIPSSA-N 2 2 278.415 3.078 20 0 CGADLP CCCCCC1CCC([NH2+][C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC1 ZINC001246148080 804168284 /nfs/dbraw/zinc/16/82/84/804168284.db2.gz DMFXISGQUVGPQD-NUUXYWTLSA-N 2 2 294.483 3.235 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c1F ZINC001246162491 804178697 /nfs/dbraw/zinc/17/86/97/804178697.db2.gz ZDPNTUODCZKCOG-LLVKDONJSA-N 2 2 284.806 3.408 20 0 CGADLP Cc1ncccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361547 804184328 /nfs/dbraw/zinc/18/43/28/804184328.db2.gz TYMHDHAHYGOQIW-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ncccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361547 804184334 /nfs/dbraw/zinc/18/43/34/804184334.db2.gz TYMHDHAHYGOQIW-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191098 804199577 /nfs/dbraw/zinc/19/95/77/804199577.db2.gz UBBIDVVELPEFBL-WFASDCNBSA-N 2 2 282.428 3.038 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224450 804219079 /nfs/dbraw/zinc/21/90/79/804219079.db2.gz GTGXNUWYPIJYLA-SNVBAGLBSA-N 2 2 288.769 3.238 20 0 CGADLP c1ccc(-c2ccc(OCC[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246252404 804237977 /nfs/dbraw/zinc/23/79/77/804237977.db2.gz RKIDIHIJHWIWPN-GOSISDBHSA-N 2 2 296.414 3.074 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c(Cl)c1 ZINC001246282070 804256125 /nfs/dbraw/zinc/25/61/25/804256125.db2.gz AJSBTXSXFFRIPA-XJKSGUPXSA-N 2 2 296.842 3.215 20 0 CGADLP C[N@H+](CCC[NH3+])CCC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246284447 804258663 /nfs/dbraw/zinc/25/86/63/804258663.db2.gz NKIBVBGREZKLEL-QGZVFWFLSA-N 3 2 295.515 3.140 20 0 CGADLP C[N@@H+](CCC[NH3+])CCC[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246284447 804258671 /nfs/dbraw/zinc/25/86/71/804258671.db2.gz NKIBVBGREZKLEL-QGZVFWFLSA-N 3 2 295.515 3.140 20 0 CGADLP CCC1CCC(C2CCC([NH2+][C@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299193 804266859 /nfs/dbraw/zinc/26/68/59/804266859.db2.gz GMFJXEKZHSTLAY-AFKOEOOISA-N 3 2 295.515 3.375 20 0 CGADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001139841233 804296663 /nfs/dbraw/zinc/29/66/63/804296663.db2.gz ILSGMCBQIXGSDS-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001139841233 804296672 /nfs/dbraw/zinc/29/66/72/804296672.db2.gz ILSGMCBQIXGSDS-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246347393 804298000 /nfs/dbraw/zinc/29/80/00/804298000.db2.gz GXYQCGCFZJAZFO-OUCADQQQSA-N 2 2 266.816 3.440 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC001139870704 804303393 /nfs/dbraw/zinc/30/33/93/804303393.db2.gz OUEXOVWBVHOOMG-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2n1C)C1CC[NH+](C)CC1 ZINC001139870704 804303402 /nfs/dbraw/zinc/30/34/02/804303402.db2.gz OUEXOVWBVHOOMG-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001246364025 804306735 /nfs/dbraw/zinc/30/67/35/804306735.db2.gz RVGAWHSUAOTHSM-HONMWMINSA-N 2 2 297.240 3.240 20 0 CGADLP c1ccc(C2CC2)c(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001139879983 804308965 /nfs/dbraw/zinc/30/89/65/804308965.db2.gz GLYGUMQRJGFISI-UHFFFAOYSA-N 2 2 296.458 3.482 20 0 CGADLP c1ccc(C2CC2)c(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001139879983 804308975 /nfs/dbraw/zinc/30/89/75/804308975.db2.gz GLYGUMQRJGFISI-UHFFFAOYSA-N 2 2 296.458 3.482 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246392202 804318721 /nfs/dbraw/zinc/31/87/21/804318721.db2.gz VQDKFFXLXOUCBP-NXOAAHMSSA-N 2 2 282.472 3.235 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246403296 804321594 /nfs/dbraw/zinc/32/15/94/804321594.db2.gz MACUINWUSYQNMF-KBAYOESNSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246403296 804321602 /nfs/dbraw/zinc/32/16/02/804321602.db2.gz MACUINWUSYQNMF-KBAYOESNSA-N 3 2 293.499 3.033 20 0 CGADLP Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001139933858 804329932 /nfs/dbraw/zinc/32/99/32/804329932.db2.gz VRFSJBACUISCGS-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001139933858 804329945 /nfs/dbraw/zinc/32/99/45/804329945.db2.gz VRFSJBACUISCGS-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP CC[C@@]1([NH2+][C@@H](C)CSc2ccc(C)cc2)CC[NH2+]C1 ZINC001246462231 804344622 /nfs/dbraw/zinc/34/46/22/804344622.db2.gz RTGNEKJGLSMFLE-GOEBONIOSA-N 2 2 278.465 3.207 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246468903 804347944 /nfs/dbraw/zinc/34/79/44/804347944.db2.gz LVSCKGLJHYRYBO-KBRIMQKVSA-N 2 2 260.425 3.430 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@](C)(CF)C1 ZINC001140021119 804353061 /nfs/dbraw/zinc/35/30/61/804353061.db2.gz HNWIUKLRWNWJGN-QGZVFWFLSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@](C)(CF)C1 ZINC001140021119 804353067 /nfs/dbraw/zinc/35/30/67/804353067.db2.gz HNWIUKLRWNWJGN-QGZVFWFLSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001140023809 804354579 /nfs/dbraw/zinc/35/45/79/804354579.db2.gz YLEFIXGKDZVJDM-AWEZNQCLSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001140023809 804354586 /nfs/dbraw/zinc/35/45/86/804354586.db2.gz YLEFIXGKDZVJDM-AWEZNQCLSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001246497756 804360449 /nfs/dbraw/zinc/36/04/49/804360449.db2.gz QOVZJXYGRDBWLD-KFWWJZLASA-N 2 2 278.465 3.063 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC001246508271 804367473 /nfs/dbraw/zinc/36/74/73/804367473.db2.gz TYUSGUYZFZBXGD-JXQTWKCFSA-N 2 2 286.341 3.397 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246508156 804368383 /nfs/dbraw/zinc/36/83/83/804368383.db2.gz DLOBXQYFXXYQHO-GOEBONIOSA-N 2 2 264.413 3.253 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H](C)CCCC(C)C)c1 ZINC001246513547 804369786 /nfs/dbraw/zinc/36/97/86/804369786.db2.gz XZEFRAYTRXOFBE-YOEHRIQHSA-N 2 2 278.440 3.499 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246543199 804390726 /nfs/dbraw/zinc/39/07/26/804390726.db2.gz SJYDJLJFHLDWQL-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246543199 804390735 /nfs/dbraw/zinc/39/07/35/804390735.db2.gz SJYDJLJFHLDWQL-WFASDCNBSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246543759 804392135 /nfs/dbraw/zinc/39/21/35/804392135.db2.gz TXICTKWNFAJCFY-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246543759 804392140 /nfs/dbraw/zinc/39/21/40/804392140.db2.gz TXICTKWNFAJCFY-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546083 804397149 /nfs/dbraw/zinc/39/71/49/804397149.db2.gz FFAALLAJYBHISV-JKSUJKDBSA-N 2 2 270.461 3.046 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546083 804397154 /nfs/dbraw/zinc/39/71/54/804397154.db2.gz FFAALLAJYBHISV-JKSUJKDBSA-N 2 2 270.461 3.046 20 0 CGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570406 804416844 /nfs/dbraw/zinc/41/68/44/804416844.db2.gz HQSQGHFVJBOHEV-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570406 804416846 /nfs/dbraw/zinc/41/68/46/804416846.db2.gz HQSQGHFVJBOHEV-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587205 804429655 /nfs/dbraw/zinc/42/96/55/804429655.db2.gz GBQGBDLZOUHDOO-DGAVXFQQSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587205 804429660 /nfs/dbraw/zinc/42/96/60/804429660.db2.gz GBQGBDLZOUHDOO-DGAVXFQQSA-N 2 2 292.389 3.365 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789818 804513943 /nfs/dbraw/zinc/51/39/43/804513943.db2.gz JYOYBMAESJPAHF-ZBFHGGJFSA-N 2 2 264.388 3.034 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789818 804513948 /nfs/dbraw/zinc/51/39/48/804513948.db2.gz JYOYBMAESJPAHF-ZBFHGGJFSA-N 2 2 264.388 3.034 20 0 CGADLP c1oc2ccccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001140786802 804514843 /nfs/dbraw/zinc/51/48/43/804514843.db2.gz VOFUKYVCXVHHRP-UHFFFAOYSA-N 2 2 270.376 3.103 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817328 804534089 /nfs/dbraw/zinc/53/40/89/804534089.db2.gz RLCRCXNSMKQIKP-IRXDYDNUSA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246817328 804534093 /nfs/dbraw/zinc/53/40/93/804534093.db2.gz RLCRCXNSMKQIKP-IRXDYDNUSA-N 2 2 276.399 3.452 20 0 CGADLP CCC1CCC([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246827405 804538530 /nfs/dbraw/zinc/53/85/30/804538530.db2.gz LHRJPJRVKHEXOB-QBHFIFKDSA-N 2 2 278.362 3.167 20 0 CGADLP CCC1CCC([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001246827405 804538535 /nfs/dbraw/zinc/53/85/35/804538535.db2.gz LHRJPJRVKHEXOB-QBHFIFKDSA-N 2 2 278.362 3.167 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847113 804556136 /nfs/dbraw/zinc/55/61/36/804556136.db2.gz JHIDKDQICONRAX-KBPBESRZSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847113 804556143 /nfs/dbraw/zinc/55/61/43/804556143.db2.gz JHIDKDQICONRAX-KBPBESRZSA-N 2 2 278.827 3.229 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883577 804580120 /nfs/dbraw/zinc/58/01/20/804580120.db2.gz WYIISJQATYHZRW-ZWKOTPCHSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883577 804580122 /nfs/dbraw/zinc/58/01/22/804580122.db2.gz WYIISJQATYHZRW-ZWKOTPCHSA-N 2 2 290.426 3.495 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905785 804590002 /nfs/dbraw/zinc/59/00/02/804590002.db2.gz BNURKFRMSIDHOV-KGLIPLIRSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905785 804590008 /nfs/dbraw/zinc/59/00/08/804590008.db2.gz BNURKFRMSIDHOV-KGLIPLIRSA-N 2 2 282.378 3.317 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001141195205 804607943 /nfs/dbraw/zinc/60/79/43/804607943.db2.gz FKRZRWTYJILDRN-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC001141195205 804607948 /nfs/dbraw/zinc/60/79/48/804607948.db2.gz FKRZRWTYJILDRN-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246944916 804612655 /nfs/dbraw/zinc/61/26/55/804612655.db2.gz UGNGRPOIBZBUGX-UAGQMJEPSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246944916 804612659 /nfs/dbraw/zinc/61/26/59/804612659.db2.gz UGNGRPOIBZBUGX-UAGQMJEPSA-N 2 2 258.409 3.191 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141234769 804619375 /nfs/dbraw/zinc/61/93/75/804619375.db2.gz WEBRXFYPBQRGPY-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141234769 804619379 /nfs/dbraw/zinc/61/93/79/804619379.db2.gz WEBRXFYPBQRGPY-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141234769 804619383 /nfs/dbraw/zinc/61/93/83/804619383.db2.gz WEBRXFYPBQRGPY-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141234769 804619387 /nfs/dbraw/zinc/61/93/87/804619387.db2.gz WEBRXFYPBQRGPY-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246963536 804619869 /nfs/dbraw/zinc/61/98/69/804619869.db2.gz BLTPQOLZMQHRFJ-KSSFIOAISA-N 2 2 272.436 3.408 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC001246963536 804619872 /nfs/dbraw/zinc/61/98/72/804619872.db2.gz BLTPQOLZMQHRFJ-KSSFIOAISA-N 2 2 272.436 3.408 20 0 CGADLP CC[N@H+](Cc1cccnc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242695 804623035 /nfs/dbraw/zinc/62/30/35/804623035.db2.gz DQIHBUKCXBQEID-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@@H+](Cc1cccnc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242695 804623038 /nfs/dbraw/zinc/62/30/38/804623038.db2.gz DQIHBUKCXBQEID-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cc(OC)cc1C ZINC001142949200 804789925 /nfs/dbraw/zinc/78/99/25/804789925.db2.gz IRHGUDDFBFFEGY-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cc(OC)cc1C ZINC001142949200 804789929 /nfs/dbraw/zinc/78/99/29/804789929.db2.gz IRHGUDDFBFFEGY-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)cccc2n1 ZINC001248573896 804956625 /nfs/dbraw/zinc/95/66/25/804956625.db2.gz PGCYDYAHDGORKW-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)cccc2n1 ZINC001248573896 804956628 /nfs/dbraw/zinc/95/66/28/804956628.db2.gz PGCYDYAHDGORKW-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)cccc2n1 ZINC001248573896 804956632 /nfs/dbraw/zinc/95/66/32/804956632.db2.gz PGCYDYAHDGORKW-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)cccc2n1 ZINC001248573896 804956635 /nfs/dbraw/zinc/95/66/35/804956635.db2.gz PGCYDYAHDGORKW-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144488587 804994757 /nfs/dbraw/zinc/99/47/57/804994757.db2.gz PAHIMWZZQIZUKK-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(OC)c2)CC1 ZINC001144488587 804994759 /nfs/dbraw/zinc/99/47/59/804994759.db2.gz PAHIMWZZQIZUKK-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1cn2cc(Nc3cc[nH+]cc3C(F)(F)F)ccc2[nH+]1 ZINC001249585883 805181926 /nfs/dbraw/zinc/18/19/26/805181926.db2.gz FYQLSPRDFWABLK-UHFFFAOYSA-N 2 2 292.264 3.222 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3C)C[C@H]2C1 ZINC001250207742 805490530 /nfs/dbraw/zinc/49/05/30/805490530.db2.gz ZMTPLRZYFAQKLL-HZPDHXFCSA-N 2 2 292.854 3.340 20 0 CGADLP CSc1cc[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155272381 805566531 /nfs/dbraw/zinc/56/65/31/805566531.db2.gz KSWZEXPVIVBOKU-UHFFFAOYSA-N 2 2 285.416 3.061 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001257217382 807065807 /nfs/dbraw/zinc/06/58/07/807065807.db2.gz MRHHCYMNYGWWPH-GDBMZVCRSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001257217382 807065810 /nfs/dbraw/zinc/06/58/10/807065810.db2.gz MRHHCYMNYGWWPH-GDBMZVCRSA-N 2 2 250.430 3.124 20 0 CGADLP CCC[C@@H](CC)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257251884 807071368 /nfs/dbraw/zinc/07/13/68/807071368.db2.gz WENMRGTYKFBCTL-MRXNPFEDSA-N 2 2 275.440 3.466 20 0 CGADLP CCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257260346 807076048 /nfs/dbraw/zinc/07/60/48/807076048.db2.gz RNVVDAZFUBKIMG-KSZLIROESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001257260346 807076055 /nfs/dbraw/zinc/07/60/55/807076055.db2.gz RNVVDAZFUBKIMG-KSZLIROESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257260346 807076062 /nfs/dbraw/zinc/07/60/62/807076062.db2.gz RNVVDAZFUBKIMG-KSZLIROESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001257260346 807076071 /nfs/dbraw/zinc/07/60/71/807076071.db2.gz RNVVDAZFUBKIMG-KSZLIROESA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257307984 807098609 /nfs/dbraw/zinc/09/86/09/807098609.db2.gz YGUXWEZIIYCFDV-HNNXBMFYSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001257359444 807122706 /nfs/dbraw/zinc/12/27/06/807122706.db2.gz RNMYUDWLZJBPKO-AWEZNQCLSA-N 2 2 250.386 3.409 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001257478927 807176184 /nfs/dbraw/zinc/17/61/84/807176184.db2.gz UXDTYFPCTBDJML-KBPBESRZSA-N 2 2 251.418 3.157 20 0 CGADLP COc1ccccc1C[N@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258014986 807266860 /nfs/dbraw/zinc/26/68/60/807266860.db2.gz VTTUKDRXGNYDJZ-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP COc1ccccc1C[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258014986 807266868 /nfs/dbraw/zinc/26/68/68/807266868.db2.gz VTTUKDRXGNYDJZ-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP Fc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958175 807285501 /nfs/dbraw/zinc/28/55/01/807285501.db2.gz DAZQSOXAVNNSLM-ALOPSCKCSA-N 2 2 288.410 3.321 20 0 CGADLP Fc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958175 807285504 /nfs/dbraw/zinc/28/55/04/807285504.db2.gz DAZQSOXAVNNSLM-ALOPSCKCSA-N 2 2 288.410 3.321 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258086844 807300984 /nfs/dbraw/zinc/30/09/84/807300984.db2.gz YSRXMENYALWMBX-GJZGRUSLSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258086844 807300985 /nfs/dbraw/zinc/30/09/85/807300985.db2.gz YSRXMENYALWMBX-GJZGRUSLSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@@H](Cc1ccco1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258183695 807347516 /nfs/dbraw/zinc/34/75/16/807347516.db2.gz QRVZCUQWYQPDDO-ZDUSSCGKSA-N 2 2 281.359 3.406 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258328449 807411724 /nfs/dbraw/zinc/41/17/24/807411724.db2.gz BRKZGHQKQZJIRH-CZUORRHYSA-N 2 2 292.492 3.292 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001258328449 807411731 /nfs/dbraw/zinc/41/17/31/807411731.db2.gz BRKZGHQKQZJIRH-CZUORRHYSA-N 2 2 292.492 3.292 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258328612 807411874 /nfs/dbraw/zinc/41/18/74/807411874.db2.gz XXMSCMNIZVUIMD-STQMWFEESA-N 2 2 270.486 3.123 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258328612 807411881 /nfs/dbraw/zinc/41/18/81/807411881.db2.gz XXMSCMNIZVUIMD-STQMWFEESA-N 2 2 270.486 3.123 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258332114 807414562 /nfs/dbraw/zinc/41/45/62/807414562.db2.gz TZKNFALUONLRHL-GFCCVEGCSA-N 2 2 277.437 3.344 20 0 CGADLP [NH3+]CC[C@@H]1CN(c2cc3[nH+]c[nH]c3cc2F)c2ccccc21 ZINC001168547711 807442676 /nfs/dbraw/zinc/44/26/76/807442676.db2.gz GQZSXRBFKHKHTD-LLVKDONJSA-N 2 2 296.349 3.286 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601716 807500377 /nfs/dbraw/zinc/50/03/77/807500377.db2.gz ZOBLPCBADVMIJH-KSZLIROESA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601716 807500383 /nfs/dbraw/zinc/50/03/83/807500383.db2.gz ZOBLPCBADVMIJH-KSZLIROESA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601716 807500388 /nfs/dbraw/zinc/50/03/88/807500388.db2.gz ZOBLPCBADVMIJH-KSZLIROESA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258601716 807500394 /nfs/dbraw/zinc/50/03/94/807500394.db2.gz ZOBLPCBADVMIJH-KSZLIROESA-N 2 2 299.462 3.024 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258657881 807526929 /nfs/dbraw/zinc/52/69/29/807526929.db2.gz VNUDMPPTRBDVQQ-QGZVFWFLSA-N 2 2 283.419 3.419 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258657881 807526930 /nfs/dbraw/zinc/52/69/30/807526930.db2.gz VNUDMPPTRBDVQQ-QGZVFWFLSA-N 2 2 283.419 3.419 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001169081724 807569032 /nfs/dbraw/zinc/56/90/32/807569032.db2.gz VJHNZFATNHSAAG-XYYAHUGASA-N 2 2 287.432 3.011 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001169081724 807569033 /nfs/dbraw/zinc/56/90/33/807569033.db2.gz VJHNZFATNHSAAG-XYYAHUGASA-N 2 2 287.432 3.011 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258751176 807592217 /nfs/dbraw/zinc/59/22/17/807592217.db2.gz IYQYSEOYVXAWNJ-YSVLISHTSA-N 2 2 292.854 3.155 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258751176 807592221 /nfs/dbraw/zinc/59/22/21/807592221.db2.gz IYQYSEOYVXAWNJ-YSVLISHTSA-N 2 2 292.854 3.155 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169146663 807593552 /nfs/dbraw/zinc/59/35/52/807593552.db2.gz QXDJRLDRXSMMLT-NRKLIOEPSA-N 2 2 262.441 3.266 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169146663 807593555 /nfs/dbraw/zinc/59/35/55/807593555.db2.gz QXDJRLDRXSMMLT-NRKLIOEPSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169146663 807593559 /nfs/dbraw/zinc/59/35/59/807593559.db2.gz QXDJRLDRXSMMLT-NRKLIOEPSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169146663 807593564 /nfs/dbraw/zinc/59/35/64/807593564.db2.gz QXDJRLDRXSMMLT-NRKLIOEPSA-N 2 2 262.441 3.266 20 0 CGADLP CN(C)c1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169150853 807594889 /nfs/dbraw/zinc/59/48/89/807594889.db2.gz DWFHNINDABTHEX-DYVFJYSZSA-N 2 2 290.455 3.103 20 0 CGADLP CCCC[C@@H](CCC)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258764231 807599956 /nfs/dbraw/zinc/59/99/56/807599956.db2.gz MLCLXHHEYNXGCY-SJORKVTESA-N 2 2 282.472 3.142 20 0 CGADLP CCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258764231 807599959 /nfs/dbraw/zinc/59/99/59/807599959.db2.gz MLCLXHHEYNXGCY-SJORKVTESA-N 2 2 282.472 3.142 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001258770063 807604001 /nfs/dbraw/zinc/60/40/01/807604001.db2.gz DBECAKUYBVBHGO-QGZVFWFLSA-N 2 2 291.414 3.136 20 0 CGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](C(CC)CC)CC2)CC1 ZINC001258769683 807604173 /nfs/dbraw/zinc/60/41/73/807604173.db2.gz BFQMHTIXSDXJGD-UHFFFAOYSA-N 3 2 295.515 3.103 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3cc(F)ccc32)CC1 ZINC001258769351 807604262 /nfs/dbraw/zinc/60/42/62/807604262.db2.gz NYZFROSITUBJGE-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001169244708 807612397 /nfs/dbraw/zinc/61/23/97/807612397.db2.gz RWCBSWYFPIMFII-OAHLLOKOSA-N 2 2 294.826 3.238 20 0 CGADLP CC(C)C1CCC([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258806274 807626174 /nfs/dbraw/zinc/62/61/74/807626174.db2.gz OTCQYVRJIAGYDV-ODZFXCKXSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258806274 807626176 /nfs/dbraw/zinc/62/61/76/807626176.db2.gz OTCQYVRJIAGYDV-ODZFXCKXSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001258806274 807626181 /nfs/dbraw/zinc/62/61/81/807626181.db2.gz OTCQYVRJIAGYDV-ODZFXCKXSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001258806274 807626185 /nfs/dbraw/zinc/62/61/85/807626185.db2.gz OTCQYVRJIAGYDV-ODZFXCKXSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1CCC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258828198 807643177 /nfs/dbraw/zinc/64/31/77/807643177.db2.gz JKAAVZPOBBUIMW-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001258831102 807646715 /nfs/dbraw/zinc/64/67/15/807646715.db2.gz ZGFUWBMOOFQLJI-ZBFHGGJFSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001258831102 807646720 /nfs/dbraw/zinc/64/67/20/807646720.db2.gz ZGFUWBMOOFQLJI-ZBFHGGJFSA-N 2 2 252.446 3.370 20 0 CGADLP COc1cccc2[nH+]c(NCC34CC[NH+](CC3)CC4)ccc21 ZINC001169794252 807710165 /nfs/dbraw/zinc/71/01/65/807710165.db2.gz JQDJWXYNQPKNCV-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001170072218 807747951 /nfs/dbraw/zinc/74/79/51/807747951.db2.gz ZBKWRRNAZKCOHI-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001170072218 807747954 /nfs/dbraw/zinc/74/79/54/807747954.db2.gz ZBKWRRNAZKCOHI-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001170077724 807749356 /nfs/dbraw/zinc/74/93/56/807749356.db2.gz MWTSLZFNZRFCNQ-ZDUSSCGKSA-N 2 2 263.429 3.267 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239454 807799568 /nfs/dbraw/zinc/79/95/68/807799568.db2.gz NCJVZOXWKRBUAZ-ROUUACIJSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239454 807799569 /nfs/dbraw/zinc/79/95/69/807799569.db2.gz NCJVZOXWKRBUAZ-ROUUACIJSA-N 2 2 299.418 3.262 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001171683095 808123581 /nfs/dbraw/zinc/12/35/81/808123581.db2.gz ZGKZVLXYCUQXCK-YTQUADARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001171683095 808123584 /nfs/dbraw/zinc/12/35/84/808123584.db2.gz ZGKZVLXYCUQXCK-YTQUADARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001171683095 808123587 /nfs/dbraw/zinc/12/35/87/808123587.db2.gz ZGKZVLXYCUQXCK-YTQUADARSA-N 2 2 286.463 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001171683095 808123589 /nfs/dbraw/zinc/12/35/89/808123589.db2.gz ZGKZVLXYCUQXCK-YTQUADARSA-N 2 2 286.463 3.342 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171780428 808137779 /nfs/dbraw/zinc/13/77/79/808137779.db2.gz JXZJPORKBZJRCA-HOCLYGCPSA-N 2 2 290.426 3.003 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C ZINC001172368825 808264737 /nfs/dbraw/zinc/26/47/37/808264737.db2.gz JTMLDJAFAPYJJN-KLHDSHLOSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C ZINC001172368825 808264745 /nfs/dbraw/zinc/26/47/45/808264745.db2.gz JTMLDJAFAPYJJN-KLHDSHLOSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)OCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172443310 808317938 /nfs/dbraw/zinc/31/79/38/808317938.db2.gz MXZRWFBDQNYGCH-HNNXBMFYSA-N 2 2 292.423 3.128 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC001172530924 808369033 /nfs/dbraw/zinc/36/90/33/808369033.db2.gz FDOHWNUENREABX-IAGOWNOFSA-N 2 2 269.392 3.199 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531805 808369542 /nfs/dbraw/zinc/36/95/42/808369542.db2.gz ARIRYENFDWLRES-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172531805 808369549 /nfs/dbraw/zinc/36/95/49/808369549.db2.gz ARIRYENFDWLRES-KURKYZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC001172838452 808453568 /nfs/dbraw/zinc/45/35/68/808453568.db2.gz LAOCWQUZVXGISN-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP CCCOC1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173089553 808505700 /nfs/dbraw/zinc/50/57/00/808505700.db2.gz MZITUPUMTFWQHC-WWDZGPRUSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@@H]1CC[C@@H](n2c[nH+]c(C)c2CSCC[NH3+])C1 ZINC001173263803 808569051 /nfs/dbraw/zinc/56/90/51/808569051.db2.gz NFGZNOLFJUJZAA-CHWSQXEVSA-N 2 2 267.442 3.135 20 0 CGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001173296373 808597068 /nfs/dbraw/zinc/59/70/68/808597068.db2.gz RWVSHBHFAVRILJ-HOCLYGCPSA-N 2 2 284.513 3.372 20 0 CGADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001173296373 808597072 /nfs/dbraw/zinc/59/70/72/808597072.db2.gz RWVSHBHFAVRILJ-HOCLYGCPSA-N 2 2 284.513 3.372 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001173928560 808767300 /nfs/dbraw/zinc/76/73/00/808767300.db2.gz DGZBLJJTKKFDQT-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP Cn1c[nH+]c2cc(Nc3cc[nH+]c4ccccc34)ccc21 ZINC001174039721 808838710 /nfs/dbraw/zinc/83/87/10/808838710.db2.gz AMILCVWGZMYMQV-UHFFFAOYSA-N 2 2 274.327 3.287 20 0 CGADLP Clc1cc(Nc2ccc3[nH+]ccn3c2)cn2cc[nH+]c12 ZINC001174278698 808926039 /nfs/dbraw/zinc/92/60/39/808926039.db2.gz QNHOLSHEZHSNIP-UHFFFAOYSA-N 2 2 283.722 3.379 20 0 CGADLP c1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)o1 ZINC001276161195 808991299 /nfs/dbraw/zinc/99/12/99/808991299.db2.gz FMUFRISBTXJEKH-DLBZAZTESA-N 2 2 289.423 3.142 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807033 809098453 /nfs/dbraw/zinc/09/84/53/809098453.db2.gz KHYNDZNFVCDWSD-SJLPKXTDSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807033 809098457 /nfs/dbraw/zinc/09/84/57/809098457.db2.gz KHYNDZNFVCDWSD-SJLPKXTDSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807033 809098461 /nfs/dbraw/zinc/09/84/61/809098461.db2.gz KHYNDZNFVCDWSD-SJLPKXTDSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807033 809098468 /nfs/dbraw/zinc/09/84/68/809098468.db2.gz KHYNDZNFVCDWSD-SJLPKXTDSA-N 2 2 289.467 3.491 20 0 CGADLP Cc1cc(Nc2c[nH+]cc(C)c2C)n(-c2cc[nH+]cc2)n1 ZINC001213527583 815298401 /nfs/dbraw/zinc/29/84/01/815298401.db2.gz UKQQQIOMWVSLNJ-UHFFFAOYSA-N 2 2 279.347 3.331 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001175968714 809586255 /nfs/dbraw/zinc/58/62/55/809586255.db2.gz HYILGMBJVKWCLL-UHFFFAOYSA-N 2 2 264.332 3.075 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccc(Cl)cc1 ZINC001176071699 809614144 /nfs/dbraw/zinc/61/41/44/809614144.db2.gz YTKRNTLDERJGCO-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccc(Cl)cc1 ZINC001176071699 809614146 /nfs/dbraw/zinc/61/41/46/809614146.db2.gz YTKRNTLDERJGCO-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC001176071699 809614148 /nfs/dbraw/zinc/61/41/48/809614148.db2.gz YTKRNTLDERJGCO-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccc(Cl)cc1 ZINC001176071699 809614151 /nfs/dbraw/zinc/61/41/51/809614151.db2.gz YTKRNTLDERJGCO-JKSUJKDBSA-N 2 2 278.827 3.051 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC001176977678 809772198 /nfs/dbraw/zinc/77/21/98/809772198.db2.gz MZDGSLZRWKRYCC-CQSZACIVSA-N 2 2 297.393 3.425 20 0 CGADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC001179437146 809920781 /nfs/dbraw/zinc/92/07/81/809920781.db2.gz ANQPMBLJENFMFD-QGZVFWFLSA-N 2 2 281.359 3.316 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(F)cc1F ZINC001181436302 810053282 /nfs/dbraw/zinc/05/32/82/810053282.db2.gz OXMDLRPPFGCWET-INIZCTEOSA-N 2 2 296.405 3.217 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(F)cc1F ZINC001181436302 810053289 /nfs/dbraw/zinc/05/32/89/810053289.db2.gz OXMDLRPPFGCWET-INIZCTEOSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001183066195 810136138 /nfs/dbraw/zinc/13/61/38/810136138.db2.gz VLUDFWLYRDNIRV-CJNGLKHVSA-N 2 2 294.414 3.084 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001183066195 810136142 /nfs/dbraw/zinc/13/61/42/810136142.db2.gz VLUDFWLYRDNIRV-CJNGLKHVSA-N 2 2 294.414 3.084 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001183379632 810147705 /nfs/dbraw/zinc/14/77/05/810147705.db2.gz PVQPLBSPSOLZRY-CGTJXYLNSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001183379632 810147706 /nfs/dbraw/zinc/14/77/06/810147706.db2.gz PVQPLBSPSOLZRY-CGTJXYLNSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCC2)CC1)[N@H+](C)C1CC1 ZINC001200293321 811670788 /nfs/dbraw/zinc/67/07/88/811670788.db2.gz LBUSXLGKHKTAJV-CYBMUJFWSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCC2)CC1)[N@@H+](C)C1CC1 ZINC001200293321 811670792 /nfs/dbraw/zinc/67/07/92/811670792.db2.gz LBUSXLGKHKTAJV-CYBMUJFWSA-N 2 2 250.430 3.172 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@@H]3C2)nc1 ZINC001201388949 811824039 /nfs/dbraw/zinc/82/40/39/811824039.db2.gz GDTPWZRNSPBKLT-QZTJIDSGSA-N 2 2 299.462 3.026 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201497035 811867527 /nfs/dbraw/zinc/86/75/27/811867527.db2.gz TZPSHTRTTOCOFH-YESZJQIVSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201497035 811867534 /nfs/dbraw/zinc/86/75/34/811867534.db2.gz TZPSHTRTTOCOFH-YESZJQIVSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201497035 811867539 /nfs/dbraw/zinc/86/75/39/811867539.db2.gz TZPSHTRTTOCOFH-YESZJQIVSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201497035 811867546 /nfs/dbraw/zinc/86/75/46/811867546.db2.gz TZPSHTRTTOCOFH-YESZJQIVSA-N 2 2 264.457 3.395 20 0 CGADLP CCCCC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201727907 811948428 /nfs/dbraw/zinc/94/84/28/811948428.db2.gz ZIUOSCUEOKHQBP-UHFFFAOYSA-N 2 2 292.471 3.074 20 0 CGADLP CCCCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001201727907 811948431 /nfs/dbraw/zinc/94/84/31/811948431.db2.gz ZIUOSCUEOKHQBP-UHFFFAOYSA-N 2 2 292.471 3.074 20 0 CGADLP CCc1cc(Br)ccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947297 819235617 /nfs/dbraw/zinc/23/56/17/819235617.db2.gz IYLNUOUSLOPPPY-UHFFFAOYSA-N 2 2 299.256 3.181 20 0 CGADLP CCc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001202986247 812214382 /nfs/dbraw/zinc/21/43/82/812214382.db2.gz ONDQDIMEAKNJKM-ZWKOTPCHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001202986247 812214385 /nfs/dbraw/zinc/21/43/85/812214385.db2.gz ONDQDIMEAKNJKM-ZWKOTPCHSA-N 2 2 272.436 3.356 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2c[nH+]c3cccc(C)n23)c1 ZINC001203657595 812418673 /nfs/dbraw/zinc/41/86/73/812418673.db2.gz QUPCQDLJTPHQSF-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001203663092 812421455 /nfs/dbraw/zinc/42/14/55/812421455.db2.gz IQUBPTYSDGTGIC-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc3c(c2)C[N@H+](C)CC3)c1 ZINC001203666693 812422163 /nfs/dbraw/zinc/42/21/63/812422163.db2.gz BJVABYKGWQMKPD-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc3c(c2)C[N@@H+](C)CC3)c1 ZINC001203666693 812422165 /nfs/dbraw/zinc/42/21/65/812422165.db2.gz BJVABYKGWQMKPD-UHFFFAOYSA-N 2 2 267.376 3.430 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)(F)F)C[C@H]2C1 ZINC001203698177 812431669 /nfs/dbraw/zinc/43/16/69/812431669.db2.gz QRXSCSYTRQNOCI-ZIAGYGMSSA-N 2 2 298.352 3.089 20 0 CGADLP CC[N@H+](Cc1cc(C)ccc1C)C1CC[NH+](C)CC1 ZINC001203747620 812451044 /nfs/dbraw/zinc/45/10/44/812451044.db2.gz XMQOZLRQYWMFTP-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1cc(C)ccc1C)C1CC[NH+](C)CC1 ZINC001203747620 812451049 /nfs/dbraw/zinc/45/10/49/812451049.db2.gz XMQOZLRQYWMFTP-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001203969324 812504219 /nfs/dbraw/zinc/50/42/19/812504219.db2.gz FKHKEMCGLDBRCM-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001203969324 812504223 /nfs/dbraw/zinc/50/42/23/812504223.db2.gz FKHKEMCGLDBRCM-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(C)c1F ZINC001204111523 812551891 /nfs/dbraw/zinc/55/18/91/812551891.db2.gz WISNFURBNAALSQ-CQSZACIVSA-N 2 2 266.404 3.344 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001204174825 812565999 /nfs/dbraw/zinc/56/59/99/812565999.db2.gz DGGCRKYOMOQXMF-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001204174825 812566002 /nfs/dbraw/zinc/56/60/02/812566002.db2.gz DGGCRKYOMOQXMF-UHFFFAOYSA-N 2 2 260.425 3.300 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)cc1 ZINC001204241794 812583079 /nfs/dbraw/zinc/58/30/79/812583079.db2.gz OHSYWUQPHXQLLJ-KDURUIRLSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)cc1 ZINC001204241794 812583080 /nfs/dbraw/zinc/58/30/80/812583080.db2.gz OHSYWUQPHXQLLJ-KDURUIRLSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccoc4)C[C@@H]3C2)cc1 ZINC001204241794 812583084 /nfs/dbraw/zinc/58/30/84/812583084.db2.gz OHSYWUQPHXQLLJ-KDURUIRLSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccoc4)C[C@@H]3C2)cc1 ZINC001204241794 812583087 /nfs/dbraw/zinc/58/30/87/812583087.db2.gz OHSYWUQPHXQLLJ-KDURUIRLSA-N 2 2 296.414 3.152 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205082163 812852737 /nfs/dbraw/zinc/85/27/37/812852737.db2.gz AUZHRLIEBXFMGZ-HOCLYGCPSA-N 2 2 297.402 3.186 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001205082163 812852746 /nfs/dbraw/zinc/85/27/46/812852746.db2.gz AUZHRLIEBXFMGZ-HOCLYGCPSA-N 2 2 297.402 3.186 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205182752 812900785 /nfs/dbraw/zinc/90/07/85/812900785.db2.gz JTOGEPJLAAYWNF-FZKQIMNGSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001205182752 812900790 /nfs/dbraw/zinc/90/07/90/812900790.db2.gz JTOGEPJLAAYWNF-FZKQIMNGSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205265209 812921513 /nfs/dbraw/zinc/92/15/13/812921513.db2.gz ONGKMGPAKCJBKJ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205265209 812921521 /nfs/dbraw/zinc/92/15/21/812921521.db2.gz ONGKMGPAKCJBKJ-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205318298 812950344 /nfs/dbraw/zinc/95/03/44/812950344.db2.gz TYTVOJWDGCJBCS-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205318298 812950350 /nfs/dbraw/zinc/95/03/50/812950350.db2.gz TYTVOJWDGCJBCS-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205318296 812950371 /nfs/dbraw/zinc/95/03/71/812950371.db2.gz TYTVOJWDGCJBCS-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205318296 812950375 /nfs/dbraw/zinc/95/03/75/812950375.db2.gz TYTVOJWDGCJBCS-GWCFXTLKSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205331572 812958550 /nfs/dbraw/zinc/95/85/50/812958550.db2.gz ISFPACCCSNOCHB-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205331572 812958555 /nfs/dbraw/zinc/95/85/55/812958555.db2.gz ISFPACCCSNOCHB-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1sccc1Cl ZINC001205354026 812968220 /nfs/dbraw/zinc/96/82/20/812968220.db2.gz PHXZYTVECMGGKA-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1sccc1Cl ZINC001205354026 812968227 /nfs/dbraw/zinc/96/82/27/812968227.db2.gz PHXZYTVECMGGKA-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCC[C@H]1C ZINC001205435053 812982896 /nfs/dbraw/zinc/98/28/96/812982896.db2.gz UUMNAVJZKPWKCA-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667518 813047594 /nfs/dbraw/zinc/04/75/94/813047594.db2.gz MEDPDZZQPAGCDZ-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667518 813047602 /nfs/dbraw/zinc/04/76/02/813047602.db2.gz MEDPDZZQPAGCDZ-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(C3CC3)c2)CCC1(F)F ZINC001205796516 813080911 /nfs/dbraw/zinc/08/09/11/813080911.db2.gz SDPSNZUVROHASV-CYBMUJFWSA-N 2 2 298.352 3.119 20 0 CGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC1(F)F ZINC001205796516 813080920 /nfs/dbraw/zinc/08/09/20/813080920.db2.gz SDPSNZUVROHASV-CYBMUJFWSA-N 2 2 298.352 3.119 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205807220 813088217 /nfs/dbraw/zinc/08/82/17/813088217.db2.gz YOXOUNKVGRXDFJ-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205807220 813088229 /nfs/dbraw/zinc/08/82/29/813088229.db2.gz YOXOUNKVGRXDFJ-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CCCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205806856 813089233 /nfs/dbraw/zinc/08/92/33/813089233.db2.gz WGOGKPHRFSFZMP-ZBFHGGJFSA-N 2 2 276.424 3.035 20 0 CGADLP CCCOc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205806856 813089238 /nfs/dbraw/zinc/08/92/38/813089238.db2.gz WGOGKPHRFSFZMP-ZBFHGGJFSA-N 2 2 276.424 3.035 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1C(C)C ZINC001205814514 813091926 /nfs/dbraw/zinc/09/19/26/813091926.db2.gz CIYTXEMXVLCBRM-GOEBONIOSA-N 2 2 290.451 3.378 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1C(C)C ZINC001205814514 813091933 /nfs/dbraw/zinc/09/19/33/813091933.db2.gz CIYTXEMXVLCBRM-GOEBONIOSA-N 2 2 290.451 3.378 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205817007 813093088 /nfs/dbraw/zinc/09/30/88/813093088.db2.gz PNNXMPDENJUBNJ-CJNGLKHVSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205817007 813093093 /nfs/dbraw/zinc/09/30/93/813093093.db2.gz PNNXMPDENJUBNJ-CJNGLKHVSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856211 813109687 /nfs/dbraw/zinc/10/96/87/813109687.db2.gz TUYQZVNLSIGYEB-WMLDXEAASA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856211 813109691 /nfs/dbraw/zinc/10/96/91/813109691.db2.gz TUYQZVNLSIGYEB-WMLDXEAASA-N 2 2 290.451 3.341 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916246 813132552 /nfs/dbraw/zinc/13/25/52/813132552.db2.gz UAYAOLSZIQKIGZ-ONGXEEELSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916246 813132556 /nfs/dbraw/zinc/13/25/56/813132556.db2.gz UAYAOLSZIQKIGZ-ONGXEEELSA-N 2 2 292.370 3.326 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205922868 813134550 /nfs/dbraw/zinc/13/45/50/813134550.db2.gz CNUPIHQVPLSUOJ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205922868 813134553 /nfs/dbraw/zinc/13/45/53/813134553.db2.gz CNUPIHQVPLSUOJ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001206548794 813349540 /nfs/dbraw/zinc/34/95/40/813349540.db2.gz JDRKFLVXPYFOJL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001206548794 813349546 /nfs/dbraw/zinc/34/95/46/813349546.db2.gz JDRKFLVXPYFOJL-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP Cc1ccc(C)c(Nc2c[nH+]c(N(C)C)cc2C)[nH+]1 ZINC001206722699 813406528 /nfs/dbraw/zinc/40/65/28/813406528.db2.gz GMQWGDRVAOFOCA-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206769437 813432211 /nfs/dbraw/zinc/43/22/11/813432211.db2.gz PDJBNQSDFRYGTI-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206769437 813432216 /nfs/dbraw/zinc/43/22/16/813432216.db2.gz PDJBNQSDFRYGTI-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001207184056 813510460 /nfs/dbraw/zinc/51/04/60/813510460.db2.gz HHUZQALUQTXLQX-HNNXBMFYSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001207184056 813510463 /nfs/dbraw/zinc/51/04/63/813510463.db2.gz HHUZQALUQTXLQX-HNNXBMFYSA-N 2 2 282.497 3.269 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209519050 814073173 /nfs/dbraw/zinc/07/31/73/814073173.db2.gz QVIAIIHNDCXVTQ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209519050 814073178 /nfs/dbraw/zinc/07/31/78/814073178.db2.gz QVIAIIHNDCXVTQ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001209736734 814124654 /nfs/dbraw/zinc/12/46/54/814124654.db2.gz IABVYKNQBHAHCX-MRXNPFEDSA-N 2 2 281.403 3.264 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001209736734 814124657 /nfs/dbraw/zinc/12/46/57/814124657.db2.gz IABVYKNQBHAHCX-MRXNPFEDSA-N 2 2 281.403 3.264 20 0 CGADLP CC[NH+](CC)Cc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001209821508 814154239 /nfs/dbraw/zinc/15/42/39/814154239.db2.gz FPNDRUHXJGYZIJ-UHFFFAOYSA-N 2 2 299.418 3.202 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)CC[NH2+]1 ZINC001210499778 814491221 /nfs/dbraw/zinc/49/12/21/814491221.db2.gz WWRSPJIDZRJFEM-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)CC[NH2+]1 ZINC001210499778 814491224 /nfs/dbraw/zinc/49/12/24/814491224.db2.gz WWRSPJIDZRJFEM-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191022 816371671 /nfs/dbraw/zinc/37/16/71/816371671.db2.gz HXXVKFUWUVZLKQ-GOEBONIOSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191022 816371678 /nfs/dbraw/zinc/37/16/78/816371678.db2.gz HXXVKFUWUVZLKQ-GOEBONIOSA-N 2 2 252.446 3.277 20 0 CGADLP CC/C=C\CCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192032 816372726 /nfs/dbraw/zinc/37/27/26/816372726.db2.gz RZGUHOMTYZXZGG-QGZUEGPWSA-N 2 2 250.430 3.341 20 0 CGADLP CC/C=C\CCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192032 816372736 /nfs/dbraw/zinc/37/27/36/816372736.db2.gz RZGUHOMTYZXZGG-QGZUEGPWSA-N 2 2 250.430 3.341 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222198912 816373600 /nfs/dbraw/zinc/37/36/00/816373600.db2.gz YFEVHCMVGQKLBN-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CC[C@@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222198912 816373608 /nfs/dbraw/zinc/37/36/08/816373608.db2.gz YFEVHCMVGQKLBN-GOSISDBHSA-N 2 2 266.388 3.119 20 0 CGADLP Fc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222236819 816381941 /nfs/dbraw/zinc/38/19/41/816381941.db2.gz BJCNLQWDFPUHFD-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001222236819 816381949 /nfs/dbraw/zinc/38/19/49/816381949.db2.gz BJCNLQWDFPUHFD-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222259269 816389974 /nfs/dbraw/zinc/38/99/74/816389974.db2.gz MNQMFOHONBNYGJ-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222259269 816389982 /nfs/dbraw/zinc/38/99/82/816389982.db2.gz MNQMFOHONBNYGJ-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282209 816394110 /nfs/dbraw/zinc/39/41/10/816394110.db2.gz GQLZXMYTQYXWRS-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282209 816394119 /nfs/dbraw/zinc/39/41/19/816394119.db2.gz GQLZXMYTQYXWRS-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390847 816430183 /nfs/dbraw/zinc/43/01/83/816430183.db2.gz VLKLPIROPUMSMO-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390847 816430186 /nfs/dbraw/zinc/43/01/86/816430186.db2.gz VLKLPIROPUMSMO-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CCCN2 ZINC001222396278 816432409 /nfs/dbraw/zinc/43/24/09/816432409.db2.gz QGRDCKWZIDDCCM-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCC[NH2+]3)C1)CCCN2 ZINC001222396278 816432414 /nfs/dbraw/zinc/43/24/14/816432414.db2.gz QGRDCKWZIDDCCM-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CC2(C[NH2+]C2)C1 ZINC001222460876 816450354 /nfs/dbraw/zinc/45/03/54/816450354.db2.gz HGRPAZNSRWESCU-HNNXBMFYSA-N 2 2 286.463 3.068 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001231813957 818185058 /nfs/dbraw/zinc/18/50/58/818185058.db2.gz UUOVRBCLTOVHOP-VQIMIIECSA-N 2 2 296.414 3.330 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001231813957 818185061 /nfs/dbraw/zinc/18/50/61/818185061.db2.gz UUOVRBCLTOVHOP-VQIMIIECSA-N 2 2 296.414 3.330 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)no1 ZINC001232011194 818233267 /nfs/dbraw/zinc/23/32/67/818233267.db2.gz IYYOWXLVJNAKFF-MRXNPFEDSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)no1 ZINC001232011194 818233274 /nfs/dbraw/zinc/23/32/74/818233274.db2.gz IYYOWXLVJNAKFF-MRXNPFEDSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC001233013715 818503072 /nfs/dbraw/zinc/50/30/72/818503072.db2.gz VRMXFMRVMRCNSB-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032854 818983980 /nfs/dbraw/zinc/98/39/80/818983980.db2.gz LYTMSVUKQPIWNF-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032854 818983983 /nfs/dbraw/zinc/98/39/83/818983983.db2.gz LYTMSVUKQPIWNF-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235031112 818984328 /nfs/dbraw/zinc/98/43/28/818984328.db2.gz CLLLUMQVKPPYEB-INIZCTEOSA-N 2 2 278.827 3.088 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235031112 818984324 /nfs/dbraw/zinc/98/43/24/818984324.db2.gz CLLLUMQVKPPYEB-INIZCTEOSA-N 2 2 278.827 3.088 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235036201 818986714 /nfs/dbraw/zinc/98/67/14/818986714.db2.gz JLNXDUYSJYWEHD-OAHLLOKOSA-N 2 2 296.867 3.247 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235036201 818986718 /nfs/dbraw/zinc/98/67/18/818986718.db2.gz JLNXDUYSJYWEHD-OAHLLOKOSA-N 2 2 296.867 3.247 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235048639 818992140 /nfs/dbraw/zinc/99/21/40/818992140.db2.gz ZHVYFMRDQWXYDL-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235048639 818992143 /nfs/dbraw/zinc/99/21/43/818992143.db2.gz ZHVYFMRDQWXYDL-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2c1 ZINC001235114139 819008250 /nfs/dbraw/zinc/00/82/50/819008250.db2.gz ACPBOBPRHGZZMO-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2c1 ZINC001235114139 819008253 /nfs/dbraw/zinc/00/82/53/819008253.db2.gz ACPBOBPRHGZZMO-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125031 819011479 /nfs/dbraw/zinc/01/14/79/819011479.db2.gz NAKQRRZUQRBVDP-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235125031 819011482 /nfs/dbraw/zinc/01/14/82/819011482.db2.gz NAKQRRZUQRBVDP-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121631 819011790 /nfs/dbraw/zinc/01/17/90/819011790.db2.gz YOBVVMTZFIHWJO-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121631 819011795 /nfs/dbraw/zinc/01/17/95/819011795.db2.gz YOBVVMTZFIHWJO-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)o1 ZINC001235121391 819012236 /nfs/dbraw/zinc/01/22/36/819012236.db2.gz DCZODVLSPHQTGF-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@]23CC[NH2+]C3)o1 ZINC001235121391 819012240 /nfs/dbraw/zinc/01/22/40/819012240.db2.gz DCZODVLSPHQTGF-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235126054 819012408 /nfs/dbraw/zinc/01/24/08/819012408.db2.gz RKDNJNZVARVAGQ-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1cccc(CCC[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235126054 819012414 /nfs/dbraw/zinc/01/24/14/819012414.db2.gz RKDNJNZVARVAGQ-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235167924 819020521 /nfs/dbraw/zinc/02/05/21/819020521.db2.gz OOJCYJVRSFWHNN-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001235167924 819020528 /nfs/dbraw/zinc/02/05/28/819020528.db2.gz OOJCYJVRSFWHNN-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208980 819036544 /nfs/dbraw/zinc/03/65/44/819036544.db2.gz DSDPTRZBNYUROL-HIFRSBDPSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208980 819036549 /nfs/dbraw/zinc/03/65/49/819036549.db2.gz DSDPTRZBNYUROL-HIFRSBDPSA-N 2 2 286.444 3.394 20 0 CGADLP CC[N@H+](Cc1cc2cccc(F)c2[nH]1)C1CC[NH+](C)CC1 ZINC001235246984 819045693 /nfs/dbraw/zinc/04/56/93/819045693.db2.gz OTMDOMATKPIMTC-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1cc2cccc(F)c2[nH]1)C1CC[NH+](C)CC1 ZINC001235246984 819045699 /nfs/dbraw/zinc/04/56/99/819045699.db2.gz OTMDOMATKPIMTC-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP c1csc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235254360 819051491 /nfs/dbraw/zinc/05/14/91/819051491.db2.gz BGGGYJRPWICPSS-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235254360 819051493 /nfs/dbraw/zinc/05/14/93/819051493.db2.gz BGGGYJRPWICPSS-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC001235262928 819055835 /nfs/dbraw/zinc/05/58/35/819055835.db2.gz GSWQYJYZAXFUFV-GOSISDBHSA-N 2 2 297.402 3.082 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC001235262928 819055842 /nfs/dbraw/zinc/05/58/42/819055842.db2.gz GSWQYJYZAXFUFV-GOSISDBHSA-N 2 2 297.402 3.082 20 0 CGADLP c1ccc(Cc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264330 819057174 /nfs/dbraw/zinc/05/71/74/819057174.db2.gz WYRKQISWZYWQLK-VQTJNVASSA-N 2 2 292.426 3.071 20 0 CGADLP c1ccc(Cc2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264330 819057180 /nfs/dbraw/zinc/05/71/80/819057180.db2.gz WYRKQISWZYWQLK-VQTJNVASSA-N 2 2 292.426 3.071 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235276390 819060837 /nfs/dbraw/zinc/06/08/37/819060837.db2.gz YTTPBPXJWKZSRD-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235276390 819060839 /nfs/dbraw/zinc/06/08/39/819060839.db2.gz YTTPBPXJWKZSRD-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400542 819084575 /nfs/dbraw/zinc/08/45/75/819084575.db2.gz KFXCVBCWFSPLHD-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400542 819084579 /nfs/dbraw/zinc/08/45/79/819084579.db2.gz KFXCVBCWFSPLHD-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001235727677 819154777 /nfs/dbraw/zinc/15/47/77/819154777.db2.gz VVEBMMXNATZJJI-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]2)c1 ZINC001235727677 819154782 /nfs/dbraw/zinc/15/47/82/819154782.db2.gz VVEBMMXNATZJJI-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])s1 ZINC001235726436 819155632 /nfs/dbraw/zinc/15/56/32/819155632.db2.gz YXAZQSDLALKXBB-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])s1 ZINC001235726436 819155635 /nfs/dbraw/zinc/15/56/35/819155635.db2.gz YXAZQSDLALKXBB-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001235831515 819179100 /nfs/dbraw/zinc/17/91/00/819179100.db2.gz HODFLEXRMUINQI-CQSZACIVSA-N 2 2 280.371 3.380 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC001235831515 819179101 /nfs/dbraw/zinc/17/91/01/819179101.db2.gz HODFLEXRMUINQI-CQSZACIVSA-N 2 2 280.371 3.380 20 0 CGADLP C[NH2+]CCC[N@@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001235883905 819196148 /nfs/dbraw/zinc/19/61/48/819196148.db2.gz BMSYRJMBMBCKHN-NSHDSACASA-N 2 2 287.234 3.392 20 0 CGADLP C[NH2+]CCC[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001235883905 819196152 /nfs/dbraw/zinc/19/61/52/819196152.db2.gz BMSYRJMBMBCKHN-NSHDSACASA-N 2 2 287.234 3.392 20 0 CGADLP CCc1cc(Br)ccc1C[N@H+](CC[NH3+])C(C)C ZINC001235947297 819235613 /nfs/dbraw/zinc/23/56/13/819235613.db2.gz IYLNUOUSLOPPPY-UHFFFAOYSA-N 2 2 299.256 3.181 20 0 CGADLP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)c(C)c1Cl ZINC001235946981 819236564 /nfs/dbraw/zinc/23/65/64/819236564.db2.gz FJRLZHFTGADENL-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)c(C)c1Cl ZINC001235946981 819236566 /nfs/dbraw/zinc/23/65/66/819236566.db2.gz FJRLZHFTGADENL-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCC[NH2+]C1 ZINC001236004537 819268401 /nfs/dbraw/zinc/26/84/01/819268401.db2.gz DVIAZJHMYGJNFO-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCC[NH2+]C1 ZINC001236004537 819268405 /nfs/dbraw/zinc/26/84/05/819268405.db2.gz DVIAZJHMYGJNFO-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236006382 819270718 /nfs/dbraw/zinc/27/07/18/819270718.db2.gz RZRVIOFMWVGUFB-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236006382 819270726 /nfs/dbraw/zinc/27/07/26/819270726.db2.gz RZRVIOFMWVGUFB-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001236029289 819277239 /nfs/dbraw/zinc/27/72/39/819277239.db2.gz NKCFPVZXBGGBNX-CRAIPNDOSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001236029289 819277244 /nfs/dbraw/zinc/27/72/44/819277244.db2.gz NKCFPVZXBGGBNX-CRAIPNDOSA-N 2 2 282.362 3.026 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)o1 ZINC001236093304 819312605 /nfs/dbraw/zinc/31/26/05/819312605.db2.gz KCWFXJUPRCGXPV-WBMJQRKESA-N 2 2 270.376 3.034 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)o1 ZINC001236093304 819312609 /nfs/dbraw/zinc/31/26/09/819312609.db2.gz KCWFXJUPRCGXPV-WBMJQRKESA-N 2 2 270.376 3.034 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236100939 819317707 /nfs/dbraw/zinc/31/77/07/819317707.db2.gz KZQRAVBBFBRVBS-GOSISDBHSA-N 2 2 298.430 3.087 20 0 CGADLP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001236100939 819317712 /nfs/dbraw/zinc/31/77/12/819317712.db2.gz KZQRAVBBFBRVBS-GOSISDBHSA-N 2 2 298.430 3.087 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236101838 819319382 /nfs/dbraw/zinc/31/93/82/819319382.db2.gz ZOAAMIWXDQFCCQ-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236101838 819319388 /nfs/dbraw/zinc/31/93/88/819319388.db2.gz ZOAAMIWXDQFCCQ-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@H+](CCCc1ccccc1C(F)(F)F)CC[NH2+]C ZINC001236143747 819344013 /nfs/dbraw/zinc/34/40/13/819344013.db2.gz MWBIBIASHHRGCK-UHFFFAOYSA-N 2 2 288.357 3.179 20 0 CGADLP CC[N@@H+](CCCc1ccccc1C(F)(F)F)CC[NH2+]C ZINC001236143747 819344020 /nfs/dbraw/zinc/34/40/20/819344020.db2.gz MWBIBIASHHRGCK-UHFFFAOYSA-N 2 2 288.357 3.179 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236143994 819345381 /nfs/dbraw/zinc/34/53/81/819345381.db2.gz OJRRTFBRDCBINP-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236143994 819345386 /nfs/dbraw/zinc/34/53/86/819345386.db2.gz OJRRTFBRDCBINP-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)O1 ZINC001236153078 819348790 /nfs/dbraw/zinc/34/87/90/819348790.db2.gz ZHVGFBAFBRJSLI-LSDHHAIUSA-N 2 2 294.826 3.201 20 0 CGADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)O1 ZINC001236153078 819348794 /nfs/dbraw/zinc/34/87/94/819348794.db2.gz ZHVGFBAFBRJSLI-LSDHHAIUSA-N 2 2 294.826 3.201 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208738 819370962 /nfs/dbraw/zinc/37/09/62/819370962.db2.gz WSOURVVVRHLVDW-INIZCTEOSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208738 819370966 /nfs/dbraw/zinc/37/09/66/819370966.db2.gz WSOURVVVRHLVDW-INIZCTEOSA-N 2 2 264.388 3.016 20 0 CGADLP CCCCOc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209676 819372646 /nfs/dbraw/zinc/37/26/46/819372646.db2.gz YKWAVUPFSMJKAH-GOSISDBHSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209676 819372649 /nfs/dbraw/zinc/37/26/49/819372649.db2.gz YKWAVUPFSMJKAH-GOSISDBHSA-N 2 2 290.451 3.439 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216108 819380921 /nfs/dbraw/zinc/38/09/21/819380921.db2.gz ZONSDNZSMBGTGX-ZIAGYGMSSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216108 819380927 /nfs/dbraw/zinc/38/09/27/819380927.db2.gz ZONSDNZSMBGTGX-ZIAGYGMSSA-N 2 2 263.429 3.014 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217295 819382968 /nfs/dbraw/zinc/38/29/68/819382968.db2.gz OZCOEGQFGPBPOO-HOTGVXAUSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217295 819382971 /nfs/dbraw/zinc/38/29/71/819382971.db2.gz OZCOEGQFGPBPOO-HOTGVXAUSA-N 2 2 276.424 3.095 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1F)C1(C)CC[NH2+]CC1 ZINC001236226136 819390808 /nfs/dbraw/zinc/39/08/08/819390808.db2.gz JWUZDUITPSUZQW-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1F)C1(C)CC[NH2+]CC1 ZINC001236226136 819390813 /nfs/dbraw/zinc/39/08/13/819390813.db2.gz JWUZDUITPSUZQW-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001236238545 819399004 /nfs/dbraw/zinc/39/90/04/819399004.db2.gz FVURTPKSESLERL-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c21 ZINC001236238545 819399010 /nfs/dbraw/zinc/39/90/10/819399010.db2.gz FVURTPKSESLERL-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc(C)c1OC(C)C ZINC001236252128 819405365 /nfs/dbraw/zinc/40/53/65/819405365.db2.gz DVDSPLWQKWEQSD-MRXNPFEDSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])cc(C)c1OC(C)C ZINC001236252128 819405370 /nfs/dbraw/zinc/40/53/70/819405370.db2.gz DVDSPLWQKWEQSD-MRXNPFEDSA-N 2 2 276.424 3.014 20 0 CGADLP Fc1cccc(C[N@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236395944 819450301 /nfs/dbraw/zinc/45/03/01/819450301.db2.gz UZFCHHSBNNJOGU-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1cccc(C[N@@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236395944 819450304 /nfs/dbraw/zinc/45/03/04/819450304.db2.gz UZFCHHSBNNJOGU-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(C)o2)cc1 ZINC001236421513 819467916 /nfs/dbraw/zinc/46/79/16/819467916.db2.gz JJNQHAQXRAWACL-QGZVFWFLSA-N 2 2 284.403 3.439 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(C)o2)cc1 ZINC001236421513 819467920 /nfs/dbraw/zinc/46/79/20/819467920.db2.gz JJNQHAQXRAWACL-QGZVFWFLSA-N 2 2 284.403 3.439 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468462 819489507 /nfs/dbraw/zinc/48/95/07/819489507.db2.gz GQYLWBALNDGMIS-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236468462 819489512 /nfs/dbraw/zinc/48/95/12/819489512.db2.gz GQYLWBALNDGMIS-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1c(F)cccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236469720 819490844 /nfs/dbraw/zinc/49/08/44/819490844.db2.gz VZNIGLVSBYRRIO-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1c(F)cccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236469720 819490847 /nfs/dbraw/zinc/49/08/47/819490847.db2.gz VZNIGLVSBYRRIO-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC001236531501 819523950 /nfs/dbraw/zinc/52/39/50/819523950.db2.gz ZHCOVMMNHAJQAE-CQSZACIVSA-N 2 2 297.240 3.021 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC001236531501 819523959 /nfs/dbraw/zinc/52/39/59/819523959.db2.gz ZHCOVMMNHAJQAE-CQSZACIVSA-N 2 2 297.240 3.021 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001236871157 819628110 /nfs/dbraw/zinc/62/81/10/819628110.db2.gz YFMAXCMGXSIUEM-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001236871157 819628114 /nfs/dbraw/zinc/62/81/14/819628114.db2.gz YFMAXCMGXSIUEM-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP FC(F)(F)c1ccccc1[C@H]1CCCC[N@@H+]1CC1C[NH2+]C1 ZINC001236974661 819640097 /nfs/dbraw/zinc/64/00/97/819640097.db2.gz DMFLFVYNAYPSME-OAHLLOKOSA-N 2 2 298.352 3.452 20 0 CGADLP FC(F)(F)c1ccccc1[C@H]1CCCC[N@H+]1CC1C[NH2+]C1 ZINC001236974661 819640099 /nfs/dbraw/zinc/64/00/99/819640099.db2.gz DMFLFVYNAYPSME-OAHLLOKOSA-N 2 2 298.352 3.452 20 0 CGADLP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)s1 ZINC001237142605 819676979 /nfs/dbraw/zinc/67/69/79/819676979.db2.gz ANJDCUCPUSVXJN-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)s1 ZINC001237142605 819676983 /nfs/dbraw/zinc/67/69/83/819676983.db2.gz ANJDCUCPUSVXJN-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001237204657 819698031 /nfs/dbraw/zinc/69/80/31/819698031.db2.gz RHONMPHWKTVFTF-ACJLOTCBSA-N 2 2 284.378 3.414 20 0 CGADLP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1C(F)F ZINC001237276683 819716045 /nfs/dbraw/zinc/71/60/45/819716045.db2.gz LPBHMUZYOZKMON-UHFFFAOYSA-N 2 2 298.377 3.159 20 0 CGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1C(F)F ZINC001237276683 819716048 /nfs/dbraw/zinc/71/60/48/819716048.db2.gz LPBHMUZYOZKMON-UHFFFAOYSA-N 2 2 298.377 3.159 20 0 CGADLP COc1c(C)cccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001237505927 819768079 /nfs/dbraw/zinc/76/80/79/819768079.db2.gz OFEBGRBEYDGMNF-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cnc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001238437182 819997524 /nfs/dbraw/zinc/99/75/24/819997524.db2.gz JKOKIQRDXHUSJM-MRXNPFEDSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cnc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)c1 ZINC001238437182 819997528 /nfs/dbraw/zinc/99/75/28/819997528.db2.gz JKOKIQRDXHUSJM-MRXNPFEDSA-N 2 2 297.402 3.055 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc(C4CC4)c(C)c3)C[C@H]2C1 ZINC001238630797 820067836 /nfs/dbraw/zinc/06/78/36/820067836.db2.gz HPPIBNNBDUKQIW-QZTJIDSGSA-N 2 2 299.462 3.041 20 0 CGADLP COc1ccc(C)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001239768691 820589029 /nfs/dbraw/zinc/58/90/29/820589029.db2.gz WBZFORNAFTWHCS-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP c1cc2cc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)ccc2o1 ZINC001240422897 821044464 /nfs/dbraw/zinc/04/44/64/821044464.db2.gz HRGHGEVWIKRYKM-UHFFFAOYSA-N 2 2 289.338 3.434 20 0 CGADLP Cc1sccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240502578 821100301 /nfs/dbraw/zinc/10/03/01/821100301.db2.gz XZUJTSSTOABRAR-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1sccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240502578 821100303 /nfs/dbraw/zinc/10/03/03/821100303.db2.gz XZUJTSSTOABRAR-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP CC[N@@H+]1CCc2cc(-c3ccn4cc[nH+]c4c3)ccc2C1 ZINC001240504090 821101035 /nfs/dbraw/zinc/10/10/35/821101035.db2.gz XYYGYQLKBMUACO-UHFFFAOYSA-N 2 2 277.371 3.379 20 0 CGADLP CC[N@H+]1CCc2cc(-c3ccn4cc[nH+]c4c3)ccc2C1 ZINC001240504090 821101038 /nfs/dbraw/zinc/10/10/38/821101038.db2.gz XYYGYQLKBMUACO-UHFFFAOYSA-N 2 2 277.371 3.379 20 0 CGADLP [NH3+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001241913771 822213533 /nfs/dbraw/zinc/21/35/33/822213533.db2.gz MTOAOLADKLBLPV-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP C[C@@H](C[NH2+]CCCC(F)(F)F)[NH+]1CCC(C)CC1 ZINC001335442591 936145866 /nfs/dbraw/zinc/14/58/66/936145866.db2.gz AMHDXICVHORIMT-LBPRGKRZSA-N 2 2 266.351 3.039 20 0 CGADLP CCc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]c1 ZINC001339630462 936380721 /nfs/dbraw/zinc/38/07/21/936380721.db2.gz YNTBFVTYIVLPQA-RDJZCZTQSA-N 2 2 285.435 3.097 20 0 CGADLP CCc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]c1 ZINC001339630462 936380726 /nfs/dbraw/zinc/38/07/26/936380726.db2.gz YNTBFVTYIVLPQA-RDJZCZTQSA-N 2 2 285.435 3.097 20 0 CGADLP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001343665857 936509781 /nfs/dbraw/zinc/50/97/81/936509781.db2.gz RPQSHVVESGQZFX-HNNXBMFYSA-N 2 2 283.419 3.464 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=CC[C@@H](C)CC1 ZINC001344484579 936536048 /nfs/dbraw/zinc/53/60/48/936536048.db2.gz CDBNGEUARCVNTL-GFCCVEGCSA-N 2 2 296.374 3.261 20 0 CGADLP Cc1cc([NH2+][C@@H]2CCC23CCC3)ccc1N1CC[NH+](C)CC1 ZINC001349585763 936953367 /nfs/dbraw/zinc/95/33/67/936953367.db2.gz PRPHGYPTSFLSMI-GOSISDBHSA-N 2 2 299.462 3.491 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)o1 ZINC001352005705 937031278 /nfs/dbraw/zinc/03/12/78/937031278.db2.gz JCNFALFHNJPECS-UHFFFAOYSA-N 2 2 282.428 3.277 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001352106772 937036756 /nfs/dbraw/zinc/03/67/56/937036756.db2.gz MMLCSXFGSKEKSY-INIZCTEOSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001352106772 937036759 /nfs/dbraw/zinc/03/67/59/937036759.db2.gz MMLCSXFGSKEKSY-INIZCTEOSA-N 2 2 295.496 3.463 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000821502025 927279704 /nfs/dbraw/zinc/27/97/04/927279704.db2.gz FXZQLGFTPKZVPZ-DDITZMBXSA-N 2 2 269.392 3.212 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001473725656 937819413 /nfs/dbraw/zinc/81/94/13/937819413.db2.gz SZQQTLPRJPQJCH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001473725656 937819415 /nfs/dbraw/zinc/81/94/15/937819415.db2.gz SZQQTLPRJPQJCH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)CC1CCCCC1 ZINC001461518530 928756224 /nfs/dbraw/zinc/75/62/24/928756224.db2.gz BBBWZQMQQKWIOM-SJLPKXTDSA-N 2 2 296.499 3.029 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)CC1CCCCC1 ZINC001461518530 928756227 /nfs/dbraw/zinc/75/62/27/928756227.db2.gz BBBWZQMQQKWIOM-SJLPKXTDSA-N 2 2 296.499 3.029 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001473725656 937819416 /nfs/dbraw/zinc/81/94/16/937819416.db2.gz SZQQTLPRJPQJCH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001461100452 937563944 /nfs/dbraw/zinc/56/39/44/937563944.db2.gz IWDBTMUOJROMQD-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001461100452 937563946 /nfs/dbraw/zinc/56/39/46/937563946.db2.gz IWDBTMUOJROMQD-CYBMUJFWSA-N 2 2 281.469 3.088 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC001461128653 937565407 /nfs/dbraw/zinc/56/54/07/937565407.db2.gz LRCZLSNJOZJFAK-MRXNPFEDSA-N 2 2 262.441 3.185 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC001461128653 937565409 /nfs/dbraw/zinc/56/54/09/937565409.db2.gz LRCZLSNJOZJFAK-MRXNPFEDSA-N 2 2 262.441 3.185 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001461708223 937593050 /nfs/dbraw/zinc/59/30/50/937593050.db2.gz PSATZZGAXVWFRI-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001461708223 937593052 /nfs/dbraw/zinc/59/30/52/937593052.db2.gz PSATZZGAXVWFRI-CRAIPNDOSA-N 2 2 287.451 3.429 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC001461809828 937598238 /nfs/dbraw/zinc/59/82/38/937598238.db2.gz ZEHGGKODGXYHKU-FOSCPCJNSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC001461809828 937598239 /nfs/dbraw/zinc/59/82/39/937598239.db2.gz ZEHGGKODGXYHKU-FOSCPCJNSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC001461809853 937598282 /nfs/dbraw/zinc/59/82/82/937598282.db2.gz ZEHGGKODGXYHKU-XVWMLYKFSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1F ZINC001461809853 937598284 /nfs/dbraw/zinc/59/82/84/937598284.db2.gz ZEHGGKODGXYHKU-XVWMLYKFSA-N 2 2 280.362 3.052 20 0 CGADLP Cc1cc(CN(CCC[NH3+])c2cccc(F)c2)cc(C)[nH+]1 ZINC001461994118 937611815 /nfs/dbraw/zinc/61/18/15/937611815.db2.gz YEXMEBYTRITGFL-UHFFFAOYSA-N 2 2 287.382 3.193 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1Cl ZINC001238088494 932693761 /nfs/dbraw/zinc/69/37/61/932693761.db2.gz FRTLUDNNBDQFHC-UHFFFAOYSA-N 2 2 280.843 3.483 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1Cl ZINC001238088494 932693763 /nfs/dbraw/zinc/69/37/63/932693763.db2.gz FRTLUDNNBDQFHC-UHFFFAOYSA-N 2 2 280.843 3.483 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001462152712 937621716 /nfs/dbraw/zinc/62/17/16/937621716.db2.gz AVABPKDDUQXLDE-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCCC1 ZINC001462152712 937621718 /nfs/dbraw/zinc/62/17/18/937621718.db2.gz AVABPKDDUQXLDE-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001308053212 933041584 /nfs/dbraw/zinc/04/15/84/933041584.db2.gz QYVKPSUEOOZPDZ-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001308053212 933041594 /nfs/dbraw/zinc/04/15/94/933041594.db2.gz QYVKPSUEOOZPDZ-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001308053212 933041597 /nfs/dbraw/zinc/04/15/97/933041597.db2.gz QYVKPSUEOOZPDZ-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001308053212 933041604 /nfs/dbraw/zinc/04/16/04/933041604.db2.gz QYVKPSUEOOZPDZ-ROUUACIJSA-N 2 2 272.436 3.479 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC001462592560 937652280 /nfs/dbraw/zinc/65/22/80/937652280.db2.gz MWCLCFXJRPGIIE-PBHICJAKSA-N 2 2 274.452 3.209 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC001462592560 937652283 /nfs/dbraw/zinc/65/22/83/937652283.db2.gz MWCLCFXJRPGIIE-PBHICJAKSA-N 2 2 274.452 3.209 20 0 CGADLP CC[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166423 933063712 /nfs/dbraw/zinc/06/37/12/933063712.db2.gz XDKIAWWOVZZYOX-HUUCEWRRSA-N 2 2 293.455 3.243 20 0 CGADLP CC[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001308166423 933063713 /nfs/dbraw/zinc/06/37/13/933063713.db2.gz XDKIAWWOVZZYOX-HUUCEWRRSA-N 2 2 293.455 3.243 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001462620132 937654736 /nfs/dbraw/zinc/65/47/36/937654736.db2.gz VYJGUXBCWBEFLW-PBHICJAKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001462620132 937654737 /nfs/dbraw/zinc/65/47/37/937654737.db2.gz VYJGUXBCWBEFLW-PBHICJAKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001462620132 937654740 /nfs/dbraw/zinc/65/47/40/937654740.db2.gz VYJGUXBCWBEFLW-PBHICJAKSA-N 2 2 292.854 3.286 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001462620132 937654743 /nfs/dbraw/zinc/65/47/43/937654743.db2.gz VYJGUXBCWBEFLW-PBHICJAKSA-N 2 2 292.854 3.286 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001308233552 933076856 /nfs/dbraw/zinc/07/68/56/933076856.db2.gz DNPLJKAGJPUMOS-AEFFLSMTSA-N 2 2 299.418 3.166 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CCSC1 ZINC001308298044 933091010 /nfs/dbraw/zinc/09/10/10/933091010.db2.gz NDIRFMVNWOUTBL-GDBMZVCRSA-N 2 2 284.513 3.230 20 0 CGADLP CC1(C)CC[N@H+](CC2CCCCC2)CC(C)(C)[NH2+]1 ZINC001462669782 937658368 /nfs/dbraw/zinc/65/83/68/937658368.db2.gz TZBLHMGKKNKYOM-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC1(C)CC[N@@H+](CC2CCCCC2)CC(C)(C)[NH2+]1 ZINC001462669782 937658369 /nfs/dbraw/zinc/65/83/69/937658369.db2.gz TZBLHMGKKNKYOM-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CCC1(CC)CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC001308482823 933116926 /nfs/dbraw/zinc/11/69/26/933116926.db2.gz WFHFFIIRCCFDRT-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CCC1(CC)CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC001308482823 933116928 /nfs/dbraw/zinc/11/69/28/933116928.db2.gz WFHFFIIRCCFDRT-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001308773424 933174058 /nfs/dbraw/zinc/17/40/58/933174058.db2.gz JSZAYOKKLMLAIL-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001308773424 933174060 /nfs/dbraw/zinc/17/40/60/933174060.db2.gz JSZAYOKKLMLAIL-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CSC3)CC2)C1 ZINC001308856714 933191778 /nfs/dbraw/zinc/19/17/78/933191778.db2.gz APOYDBWXQSPJFV-CQSZACIVSA-N 2 2 282.497 3.125 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CSC3)CC2)C1 ZINC001308856714 933191781 /nfs/dbraw/zinc/19/17/81/933191781.db2.gz APOYDBWXQSPJFV-CQSZACIVSA-N 2 2 282.497 3.125 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)cc1 ZINC001318487858 933735127 /nfs/dbraw/zinc/73/51/27/933735127.db2.gz NNCMVJNCMXTECK-UHFFFAOYSA-N 2 2 292.342 3.136 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001319471144 933881501 /nfs/dbraw/zinc/88/15/01/933881501.db2.gz LDJDQVLPWXEPCW-QGZVFWFLSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1cc([NH2+]CC2(C)CCC2)ccc1N1CC[NH+](C)CC1 ZINC001321295553 934173937 /nfs/dbraw/zinc/17/39/37/934173937.db2.gz BIXSMAOYJOWWHM-UHFFFAOYSA-N 2 2 287.451 3.349 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC1CCCC1 ZINC001321818357 934214907 /nfs/dbraw/zinc/21/49/07/934214907.db2.gz HOCMYLYCESXCPD-UHFFFAOYSA-N 2 2 298.390 3.485 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C)c(F)c1 ZINC001473343225 937802403 /nfs/dbraw/zinc/80/24/03/937802403.db2.gz XYLSACIDVAMQLX-MRXNPFEDSA-N 2 2 275.371 3.462 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC001324929563 934874608 /nfs/dbraw/zinc/87/46/08/934874608.db2.gz VTGHRWOVEYKSLQ-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC001324929563 934874616 /nfs/dbraw/zinc/87/46/16/934874616.db2.gz VTGHRWOVEYKSLQ-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001325269652 934900321 /nfs/dbraw/zinc/90/03/21/934900321.db2.gz ZEBPQNPFTJCDIH-SECBINFHSA-N 2 2 294.748 3.446 20 0 CGADLP CC(C)C1(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001330619832 935304161 /nfs/dbraw/zinc/30/41/61/935304161.db2.gz XNOXRRLKWYCWDY-HNNXBMFYSA-N 2 2 275.440 3.111 20 0 CGADLP CC(C)C1(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001330619832 935304164 /nfs/dbraw/zinc/30/41/64/935304164.db2.gz XNOXRRLKWYCWDY-HNNXBMFYSA-N 2 2 275.440 3.111 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(Cl)c1Cl ZINC001331420311 935377942 /nfs/dbraw/zinc/37/79/42/935377942.db2.gz VMEYBKWETFJJPO-VIFPVBQESA-N 2 2 261.196 3.081 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001473725656 937819418 /nfs/dbraw/zinc/81/94/18/937819418.db2.gz SZQQTLPRJPQJCH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2cccc(F)c2F)CCCC1 ZINC001474106562 937840493 /nfs/dbraw/zinc/84/04/93/937840493.db2.gz KRGWFTBRWHCHCD-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP FC(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001549546332 938158094 /nfs/dbraw/zinc/15/80/94/938158094.db2.gz NKOMGZJKUAQKGL-NFAWXSAZSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001549546332 938158095 /nfs/dbraw/zinc/15/80/95/938158095.db2.gz NKOMGZJKUAQKGL-NFAWXSAZSA-N 2 2 286.410 3.417 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC001550621517 938168830 /nfs/dbraw/zinc/16/88/30/938168830.db2.gz JPKPTURTEUGICQ-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC001550621517 938168831 /nfs/dbraw/zinc/16/88/31/938168831.db2.gz JPKPTURTEUGICQ-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001551378719 938180628 /nfs/dbraw/zinc/18/06/28/938180628.db2.gz SMSGMAATKGPQHO-OKZBNKHCSA-N 2 2 282.362 3.027 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccs1 ZINC001551378364 938180658 /nfs/dbraw/zinc/18/06/58/938180658.db2.gz OZLHHGZKQCBNEY-DZKIICNBSA-N 2 2 272.417 3.414 20 0 CGADLP Cc1ccc([C@@H](CF)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC001553291557 938197974 /nfs/dbraw/zinc/19/79/74/938197974.db2.gz OQKQUVZALFHKOT-JKSUJKDBSA-N 2 2 278.415 3.373 20 0 CGADLP CCc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC001559466416 938226931 /nfs/dbraw/zinc/22/69/31/938226931.db2.gz SPYQKNXNSTYTOU-UHFFFAOYSA-N 2 2 283.419 3.480 20 0 CGADLP C=C/C=C/CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001560099041 938244022 /nfs/dbraw/zinc/24/40/22/938244022.db2.gz ZQJZWZPQWMFYJV-IDOMTICXSA-N 2 2 267.376 3.346 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC001560530947 938262054 /nfs/dbraw/zinc/26/20/54/938262054.db2.gz RIYQEPUFBKQFTB-INIZCTEOSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC001560530947 938262056 /nfs/dbraw/zinc/26/20/56/938262056.db2.gz RIYQEPUFBKQFTB-INIZCTEOSA-N 2 2 272.436 3.138 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001560805996 938276688 /nfs/dbraw/zinc/27/66/88/938276688.db2.gz PDJSXAPJZBBMEO-ZWKOTPCHSA-N 2 2 286.463 3.254 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC001560805996 938276689 /nfs/dbraw/zinc/27/66/89/938276689.db2.gz PDJSXAPJZBBMEO-ZWKOTPCHSA-N 2 2 286.463 3.254 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001575354129 962369346 /nfs/dbraw/zinc/36/93/46/962369346.db2.gz GHRLSPJNNUFCCC-UHFFFAOYSA-N 2 2 287.382 3.133 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001575354129 962369361 /nfs/dbraw/zinc/36/93/61/962369361.db2.gz GHRLSPJNNUFCCC-UHFFFAOYSA-N 2 2 287.382 3.133 20 0 CGADLP CC(C)C[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC001575530887 962388222 /nfs/dbraw/zinc/38/82/22/962388222.db2.gz IXJJPTKBKHAZHI-CQSZACIVSA-N 2 2 272.795 3.332 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576302163 962447258 /nfs/dbraw/zinc/44/72/58/962447258.db2.gz SFELRGRCGGPGKO-HZMBPMFUSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576302163 962447273 /nfs/dbraw/zinc/44/72/73/962447273.db2.gz SFELRGRCGGPGKO-HZMBPMFUSA-N 2 2 270.779 3.211 20 0 CGADLP CC1(C)CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)[NH2+]C1 ZINC001576421090 962458113 /nfs/dbraw/zinc/45/81/13/962458113.db2.gz FPUUBPUDKAZPRI-ZDUSSCGKSA-N 2 2 289.448 3.164 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC001577821330 962569980 /nfs/dbraw/zinc/56/99/80/962569980.db2.gz JETKLWVKXYVUKB-UHFFFAOYSA-N 2 2 271.408 3.050 20 0 CGADLP CCc1cccc2cc(C[NH2+]C[C@H]([NH3+])C(C)C)oc21 ZINC001578268466 962588353 /nfs/dbraw/zinc/58/83/53/962588353.db2.gz IGAAAJZVAVFQNE-HNNXBMFYSA-N 2 2 260.381 3.068 20 0 CGADLP [NH3+]CC1(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC001580244403 962706371 /nfs/dbraw/zinc/70/63/71/962706371.db2.gz WFOQFXIWGNLQFE-CQSZACIVSA-N 2 2 264.800 3.216 20 0 CGADLP [NH3+]CC1(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC001580244403 962706389 /nfs/dbraw/zinc/70/63/89/962706389.db2.gz WFOQFXIWGNLQFE-CQSZACIVSA-N 2 2 264.800 3.216 20 0 CGADLP c1cn(-c2cccc(N[C@@H]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2)c[nH+]1 ZINC001580890158 962743579 /nfs/dbraw/zinc/74/35/79/962743579.db2.gz INKHQHZTLPPJLH-LESCRADOSA-N 2 2 296.418 3.205 20 0 CGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337390053 214048321 /nfs/dbraw/zinc/04/83/21/214048321.db2.gz KIVNHYWZZGIDKP-AWEZNQCLSA-N 2 2 294.439 3.048 20 0 CGADLP FC1(F)C[C@@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000621379413 349513651 /nfs/dbraw/zinc/51/36/51/349513651.db2.gz UQBBOQWOPJUTLZ-ZDUSSCGKSA-N 2 2 277.318 3.007 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)c[nH+]1 ZINC000337521864 214137010 /nfs/dbraw/zinc/13/70/10/214137010.db2.gz PQJIHUXGKXSRAU-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000096094176 185095899 /nfs/dbraw/zinc/09/58/99/185095899.db2.gz OIZYCQMYLGUJBV-QZTJIDSGSA-N 2 2 296.414 3.152 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000651866793 398299027 /nfs/dbraw/zinc/29/90/27/398299027.db2.gz RHVPGXXQXLUFOJ-UHFFFAOYSA-N 2 2 258.793 3.001 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000651866793 398299030 /nfs/dbraw/zinc/29/90/30/398299030.db2.gz RHVPGXXQXLUFOJ-UHFFFAOYSA-N 2 2 258.793 3.001 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337985879 214344393 /nfs/dbraw/zinc/34/43/93/214344393.db2.gz FITDHKCMHKLPNO-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337985879 214344396 /nfs/dbraw/zinc/34/43/96/214344396.db2.gz FITDHKCMHKLPNO-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP c1cn(-c2csc(C[NH2+]C3(C4CCC4)CC3)c2)c[nH+]1 ZINC000651958500 398312524 /nfs/dbraw/zinc/31/25/24/398312524.db2.gz CGJHVZPNCMAOQU-UHFFFAOYSA-N 2 2 273.405 3.356 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000440706824 529437125 /nfs/dbraw/zinc/43/71/25/529437125.db2.gz VLXXBNCOZNNRHU-HOTGVXAUSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000440706824 529437128 /nfs/dbraw/zinc/43/71/28/529437128.db2.gz VLXXBNCOZNNRHU-HOTGVXAUSA-N 2 2 270.436 3.323 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423369367 529498537 /nfs/dbraw/zinc/49/85/37/529498537.db2.gz ONULSKMTJCBUSF-NWDGAFQWSA-N 2 2 260.381 3.301 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082444 346900054 /nfs/dbraw/zinc/90/00/54/346900054.db2.gz GMRXKNZBHVQFBZ-XJKSGUPXSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082444 346900056 /nfs/dbraw/zinc/90/00/56/346900056.db2.gz GMRXKNZBHVQFBZ-XJKSGUPXSA-N 2 2 273.355 3.420 20 0 CGADLP CC[C@@H](F)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440774394 529550871 /nfs/dbraw/zinc/55/08/71/529550871.db2.gz JHHCHYOMSPEEKC-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440774394 529550875 /nfs/dbraw/zinc/55/08/75/529550875.db2.gz JHHCHYOMSPEEKC-MRXNPFEDSA-N 2 2 278.415 3.331 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000440706827 529551678 /nfs/dbraw/zinc/55/16/78/529551678.db2.gz VLXXBNCOZNNRHU-JKSUJKDBSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000440706827 529551680 /nfs/dbraw/zinc/55/16/80/529551680.db2.gz VLXXBNCOZNNRHU-JKSUJKDBSA-N 2 2 270.436 3.323 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000423461036 529569476 /nfs/dbraw/zinc/56/94/76/529569476.db2.gz JGANNCBICQEIGK-PSASIEDQSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423322185 529611899 /nfs/dbraw/zinc/61/18/99/529611899.db2.gz NSPGOPUIYRXEMU-OLZOCXBDSA-N 2 2 284.350 3.066 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CC(C(C)C)C1 ZINC000423513096 529611013 /nfs/dbraw/zinc/61/10/13/529611013.db2.gz VCNZYEOIWGDIRH-DQPZFDDXSA-N 2 2 260.425 3.273 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423330859 529611642 /nfs/dbraw/zinc/61/16/42/529611642.db2.gz UICOWUPRJCTVNC-OLZOCXBDSA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000423446283 529622521 /nfs/dbraw/zinc/62/25/21/529622521.db2.gz YYYBVCLVFVSOHO-DLBZAZTESA-N 2 2 258.409 3.042 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423390632 529623174 /nfs/dbraw/zinc/62/31/74/529623174.db2.gz OSPVLOOPCNLCKH-ZFWWWQNUSA-N 2 2 275.440 3.073 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623340917 349782601 /nfs/dbraw/zinc/78/26/01/349782601.db2.gz FVYKCMKZPDFHOI-UHFFFAOYSA-N 2 2 292.370 3.341 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000346332563 282207641 /nfs/dbraw/zinc/20/76/41/282207641.db2.gz UWWGRYFKRNOCDO-LLVKDONJSA-N 2 2 291.345 3.089 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000346332563 282207642 /nfs/dbraw/zinc/20/76/42/282207642.db2.gz UWWGRYFKRNOCDO-LLVKDONJSA-N 2 2 291.345 3.089 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cnccc1C ZINC000423515355 529617073 /nfs/dbraw/zinc/61/70/73/529617073.db2.gz XKZGITPDADQTSQ-KBXCAEBGSA-N 2 2 283.419 3.303 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423497421 529617651 /nfs/dbraw/zinc/61/76/51/529617651.db2.gz GYFGSHBVCIXEAP-KSZLIROESA-N 2 2 272.436 3.417 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623363064 349789819 /nfs/dbraw/zinc/78/98/19/349789819.db2.gz WHOCFEBEJCPIQA-NFAWXSAZSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623363064 349789823 /nfs/dbraw/zinc/78/98/23/349789823.db2.gz WHOCFEBEJCPIQA-NFAWXSAZSA-N 2 2 276.424 3.365 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000423380311 529656786 /nfs/dbraw/zinc/65/67/86/529656786.db2.gz NTKIHEGAYUKMHE-KWCYVHTRSA-N 2 2 298.377 3.469 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427873833 529661438 /nfs/dbraw/zinc/66/14/38/529661438.db2.gz LPHZKUZEXDWQSN-CABCVRRESA-N 2 2 273.355 3.078 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccc1OC(F)F ZINC000423448875 529666188 /nfs/dbraw/zinc/66/61/88/529666188.db2.gz QQFYPYNXBTVMTD-UMNHJUIQSA-N 2 2 272.339 3.064 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000126488201 187242735 /nfs/dbraw/zinc/24/27/35/187242735.db2.gz WLSMPXNYGVXHRG-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP CC(C)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000132959021 136389931 /nfs/dbraw/zinc/38/99/31/136389931.db2.gz MWYJAEBFEWGSST-UHFFFAOYSA-N 2 2 261.413 3.037 20 0 CGADLP c1cc(NCc2ccc(N3CCCC3)[nH+]c2)[nH+]c2c1CCC2 ZINC000295001032 199293873 /nfs/dbraw/zinc/29/38/73/199293873.db2.gz ZZMVUZJPMOUINJ-UHFFFAOYSA-N 2 2 294.402 3.178 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000423559798 529722364 /nfs/dbraw/zinc/72/23/64/529722364.db2.gz PDWCWWZNMDLWSZ-RYUDHWBXSA-N 2 2 252.427 3.103 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591915350 346946507 /nfs/dbraw/zinc/94/65/07/346946507.db2.gz DGXRDPOATPMDEP-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591915350 346946510 /nfs/dbraw/zinc/94/65/10/346946510.db2.gz DGXRDPOATPMDEP-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915783 346946592 /nfs/dbraw/zinc/94/65/92/346946592.db2.gz OSOHUTXGTOTAOV-RLXIPRIJSA-N 2 2 267.376 3.233 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915783 346946594 /nfs/dbraw/zinc/94/65/94/346946594.db2.gz OSOHUTXGTOTAOV-RLXIPRIJSA-N 2 2 267.376 3.233 20 0 CGADLP CCn1cc[nH+]c1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000295025370 199306470 /nfs/dbraw/zinc/30/64/70/199306470.db2.gz QZUZPHSCFNOOLC-UHFFFAOYSA-N 2 2 296.374 3.380 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1(C)C ZINC000623554537 349832283 /nfs/dbraw/zinc/83/22/83/349832283.db2.gz CVYLBTRUQJGMCP-YQQAZPJKSA-N 2 2 276.399 3.086 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1(C)C ZINC000623554537 349832287 /nfs/dbraw/zinc/83/22/87/349832287.db2.gz CVYLBTRUQJGMCP-YQQAZPJKSA-N 2 2 276.399 3.086 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561732 349835133 /nfs/dbraw/zinc/83/51/33/349835133.db2.gz XIWVWYBILZQOIT-ZZTPXLKCSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561732 349835136 /nfs/dbraw/zinc/83/51/36/349835136.db2.gz XIWVWYBILZQOIT-ZZTPXLKCSA-N 2 2 262.441 3.028 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)n1C ZINC000414321825 529810496 /nfs/dbraw/zinc/81/04/96/529810496.db2.gz FRJDXKMMVYYOQN-KRWDZBQOSA-N 2 2 298.434 3.117 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623708426 349870187 /nfs/dbraw/zinc/87/01/87/349870187.db2.gz JDZKEDZEZUZBBN-OAHLLOKOSA-N 2 2 287.794 3.260 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@]3(C)C[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000623741910 349876515 /nfs/dbraw/zinc/87/65/15/349876515.db2.gz ZIBINZZBTLTJKU-XOIINTDNSA-N 2 2 269.392 3.169 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000423226263 529979230 /nfs/dbraw/zinc/97/92/30/529979230.db2.gz QBQIGIURBAQMMW-ZDUSSCGKSA-N 2 2 274.330 3.212 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000414835827 529998924 /nfs/dbraw/zinc/99/89/24/529998924.db2.gz IPVNUKBZGZXNJU-ZDUSSCGKSA-N 2 2 289.448 3.064 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351604193 219142236 /nfs/dbraw/zinc/14/22/36/219142236.db2.gz VVONQQXVPOVERR-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351604193 219142238 /nfs/dbraw/zinc/14/22/38/219142238.db2.gz VVONQQXVPOVERR-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000351604193 219142239 /nfs/dbraw/zinc/14/22/39/219142239.db2.gz VVONQQXVPOVERR-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351604193 219142241 /nfs/dbraw/zinc/14/22/41/219142241.db2.gz VVONQQXVPOVERR-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](CCc1ccccc1Cl)CC2 ZINC000369383163 530051663 /nfs/dbraw/zinc/05/16/63/530051663.db2.gz IOKLTHXACXWPGI-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](CCc1ccccc1Cl)CC2 ZINC000369383163 530051664 /nfs/dbraw/zinc/05/16/64/530051664.db2.gz IOKLTHXACXWPGI-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000034442234 344939480 /nfs/dbraw/zinc/93/94/80/344939480.db2.gz QAAZDEKPTHBGHT-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000034442234 344939484 /nfs/dbraw/zinc/93/94/84/344939484.db2.gz QAAZDEKPTHBGHT-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353176 345009401 /nfs/dbraw/zinc/00/94/01/345009401.db2.gz MELZKCNUYPFWND-HIFRSBDPSA-N 2 2 273.380 3.170 20 0 CGADLP CSc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353232 345009567 /nfs/dbraw/zinc/00/95/67/345009567.db2.gz XEVDCBRRYVMDOF-UHFFFAOYSA-N 2 2 275.421 3.175 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094563 345021296 /nfs/dbraw/zinc/02/12/96/345021296.db2.gz VEPAJZOPWAMTNY-HNNXBMFYSA-N 2 2 257.381 3.323 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)n1 ZINC000623959178 349927689 /nfs/dbraw/zinc/92/76/89/349927689.db2.gz JBOFWRWHJGFVJL-KBPBESRZSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C/C=C/Cl)C1 ZINC000073166265 345433058 /nfs/dbraw/zinc/43/30/58/345433058.db2.gz MTGOAECSMMPASE-VZLFFANISA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C/C=C/Cl)C1 ZINC000073166265 345433060 /nfs/dbraw/zinc/43/30/60/345433060.db2.gz MTGOAECSMMPASE-VZLFFANISA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000073166265 345433061 /nfs/dbraw/zinc/43/30/61/345433061.db2.gz MTGOAECSMMPASE-VZLFFANISA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000073166265 345433062 /nfs/dbraw/zinc/43/30/62/345433062.db2.gz MTGOAECSMMPASE-VZLFFANISA-N 2 2 270.848 3.325 20 0 CGADLP Clc1ccccc1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959794 345691943 /nfs/dbraw/zinc/69/19/43/345691943.db2.gz RCEPZVRXXXVXPB-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1ccccc1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959794 345691945 /nfs/dbraw/zinc/69/19/45/345691945.db2.gz RCEPZVRXXXVXPB-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP c1cc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000091453409 345814118 /nfs/dbraw/zinc/81/41/18/345814118.db2.gz OXJCIVACYBBQDD-ZDUSSCGKSA-N 2 2 287.432 3.361 20 0 CGADLP CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000089555483 345770858 /nfs/dbraw/zinc/77/08/58/345770858.db2.gz JXXUJLFQQUCZHT-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000090046809 345778400 /nfs/dbraw/zinc/77/84/00/345778400.db2.gz ODCDFHNGKABSNR-KGLIPLIRSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CSC(C)(C)C ZINC000090846666 345795223 /nfs/dbraw/zinc/79/52/23/345795223.db2.gz LRZFHQRQWCFROK-CYBMUJFWSA-N 2 2 266.454 3.442 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000090847505 345796180 /nfs/dbraw/zinc/79/61/80/345796180.db2.gz QRYMMYGXPMYYTE-AWEZNQCLSA-N 2 2 272.396 3.061 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1c(C)nn(C)c1C ZINC000090846907 345796219 /nfs/dbraw/zinc/79/62/19/345796219.db2.gz MYTLFGFTCUSIAL-INIZCTEOSA-N 2 2 286.423 3.024 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000090847027 345796251 /nfs/dbraw/zinc/79/62/51/345796251.db2.gz SYPWPISXUPMLFG-LBPRGKRZSA-N 2 2 275.783 3.332 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000092804676 345859155 /nfs/dbraw/zinc/85/91/55/345859155.db2.gz SRYHKQXPLMVVRE-ILXRZTDVSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000092804676 345859157 /nfs/dbraw/zinc/85/91/57/345859157.db2.gz SRYHKQXPLMVVRE-ILXRZTDVSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nc2c(s1)CCCC2 ZINC000093403197 345877927 /nfs/dbraw/zinc/87/79/27/345877927.db2.gz JYNZFVOECQXMDZ-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108278713 345937079 /nfs/dbraw/zinc/93/70/79/345937079.db2.gz ANONTFYPWLVVIG-YUSALJHKSA-N 2 2 285.218 3.206 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000110978824 345947428 /nfs/dbraw/zinc/94/74/28/345947428.db2.gz AQGKYQIJXIOWKP-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000110978824 345947431 /nfs/dbraw/zinc/94/74/31/345947431.db2.gz AQGKYQIJXIOWKP-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000128869052 346044879 /nfs/dbraw/zinc/04/48/79/346044879.db2.gz IRLILEOEVFOYOW-UVLXDEKHSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000128869052 346044880 /nfs/dbraw/zinc/04/48/80/346044880.db2.gz IRLILEOEVFOYOW-UVLXDEKHSA-N 2 2 290.373 3.322 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000168708862 346190917 /nfs/dbraw/zinc/19/09/17/346190917.db2.gz BOPWPVWBLGHNGB-LSDHHAIUSA-N 2 2 267.376 3.274 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000168708862 346190919 /nfs/dbraw/zinc/19/09/19/346190919.db2.gz BOPWPVWBLGHNGB-LSDHHAIUSA-N 2 2 267.376 3.274 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000227956126 346312460 /nfs/dbraw/zinc/31/24/60/346312460.db2.gz MCKPYUJWCBDBSF-NEPJUHHUSA-N 2 2 264.438 3.025 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000227956126 346312463 /nfs/dbraw/zinc/31/24/63/346312463.db2.gz MCKPYUJWCBDBSF-NEPJUHHUSA-N 2 2 264.438 3.025 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(Br)c1 ZINC000228283199 346313758 /nfs/dbraw/zinc/31/37/58/346313758.db2.gz XTQSHFUXVJCRHS-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(Br)c1 ZINC000228283199 346313762 /nfs/dbraw/zinc/31/37/62/346313762.db2.gz XTQSHFUXVJCRHS-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000235866145 346337909 /nfs/dbraw/zinc/33/79/09/346337909.db2.gz COVJLBQTCJRGJT-UHFFFAOYSA-N 2 2 277.799 3.415 20 0 CGADLP CC(C)(C)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000236616429 346341650 /nfs/dbraw/zinc/34/16/50/346341650.db2.gz DXEZVXDZYZRARD-UHFFFAOYSA-N 2 2 274.452 3.459 20 0 CGADLP CC(C)(C)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000236616429 346341653 /nfs/dbraw/zinc/34/16/53/346341653.db2.gz DXEZVXDZYZRARD-UHFFFAOYSA-N 2 2 274.452 3.459 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624100991 349970803 /nfs/dbraw/zinc/97/08/03/349970803.db2.gz CRIQSVMZJGGJJR-IXDOHACOSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624100991 349970806 /nfs/dbraw/zinc/97/08/06/349970806.db2.gz CRIQSVMZJGGJJR-IXDOHACOSA-N 2 2 276.399 3.146 20 0 CGADLP CS[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000593653679 347100361 /nfs/dbraw/zinc/10/03/61/347100361.db2.gz GVHKHBJHYFPYNR-HUUCEWRRSA-N 2 2 289.448 3.407 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000339345383 215109036 /nfs/dbraw/zinc/10/90/36/215109036.db2.gz VCAPAGBWZMFFIM-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000339345383 215109040 /nfs/dbraw/zinc/10/90/40/215109040.db2.gz VCAPAGBWZMFFIM-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187883 349996179 /nfs/dbraw/zinc/99/61/79/349996179.db2.gz NUFXGAIPYOQFHF-AAEUAGOBSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187883 349996180 /nfs/dbraw/zinc/99/61/80/349996180.db2.gz NUFXGAIPYOQFHF-AAEUAGOBSA-N 2 2 274.399 3.273 20 0 CGADLP COCc1ccccc1/C=C(\C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000351992762 219279514 /nfs/dbraw/zinc/27/95/14/219279514.db2.gz FMLLDQFNSGPCMA-RVDMUPIBSA-N 2 2 290.451 3.166 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000036915371 137874668 /nfs/dbraw/zinc/87/46/68/137874668.db2.gz WBAATMPPVGOGJJ-SNVBAGLBSA-N 2 2 281.469 3.411 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000271282882 191048414 /nfs/dbraw/zinc/04/84/14/191048414.db2.gz PQFSPSDIMWNOHI-YOEHRIQHSA-N 2 2 294.402 3.448 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000359382284 233309085 /nfs/dbraw/zinc/30/90/85/233309085.db2.gz GZARIMFGBYZEHJ-DLBZAZTESA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000271282882 191048416 /nfs/dbraw/zinc/04/84/16/191048416.db2.gz PQFSPSDIMWNOHI-YOEHRIQHSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464685 233321845 /nfs/dbraw/zinc/32/18/45/233321845.db2.gz FQTWBGRRPMYRET-RBSFLKMASA-N 2 2 298.434 3.405 20 0 CGADLP C[N@H+](Cc1cc(O)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000625422091 350169190 /nfs/dbraw/zinc/16/91/90/350169190.db2.gz DNWXFJOHPXFGAJ-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP C[N@@H+](Cc1cc(O)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000625422091 350169193 /nfs/dbraw/zinc/16/91/93/350169193.db2.gz DNWXFJOHPXFGAJ-PBWFPOADSA-N 2 2 294.826 3.103 20 0 CGADLP COc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)ccc1SC ZINC000359510591 233326622 /nfs/dbraw/zinc/32/66/22/233326622.db2.gz JIYXHGQZYBMJOD-ZDUSSCGKSA-N 2 2 294.464 3.164 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000359749559 233371472 /nfs/dbraw/zinc/37/14/72/233371472.db2.gz QOXWTAXKVJLNSZ-NEPJUHHUSA-N 2 2 272.845 3.364 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178978 350277908 /nfs/dbraw/zinc/27/79/08/350277908.db2.gz QOHJBYYEWWEJDA-ZDUSSCGKSA-N 2 2 294.389 3.418 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178978 350277913 /nfs/dbraw/zinc/27/79/13/350277913.db2.gz QOHJBYYEWWEJDA-ZDUSSCGKSA-N 2 2 294.389 3.418 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000628214019 350443647 /nfs/dbraw/zinc/44/36/47/350443647.db2.gz HXFMPQAGQUODCG-MAUKXSAKSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000628214019 350443652 /nfs/dbraw/zinc/44/36/52/350443652.db2.gz HXFMPQAGQUODCG-MAUKXSAKSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000628244230 350464331 /nfs/dbraw/zinc/46/43/31/350464331.db2.gz XSQSJOZLEZIQAF-OAHLLOKOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000628204829 350439852 /nfs/dbraw/zinc/43/98/52/350439852.db2.gz OMZCFYMNFRNGDN-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(OC)cc1 ZINC000629526059 350702172 /nfs/dbraw/zinc/70/21/72/350702172.db2.gz JTLBXWIKQWDQJW-GVDBMIGSSA-N 2 2 276.424 3.267 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000629525931 350702427 /nfs/dbraw/zinc/70/24/27/350702427.db2.gz GWUJNMQIZJAJKP-FPMFFAJLSA-N 2 2 278.465 3.418 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000629526374 350702444 /nfs/dbraw/zinc/70/24/44/350702444.db2.gz RVVPIUIBTVERQI-FPMFFAJLSA-N 2 2 294.464 3.208 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000629528113 350702880 /nfs/dbraw/zinc/70/28/80/350702880.db2.gz PMAGIOLLZGANJZ-VBNZEHGJSA-N 2 2 269.392 3.026 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000629527460 350703110 /nfs/dbraw/zinc/70/31/10/350703110.db2.gz WGICOMSKNRVPAL-BVUBDWEXSA-N 2 2 258.409 3.273 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537677 350705962 /nfs/dbraw/zinc/70/59/62/350705962.db2.gz LSPQSMQCQLUCQF-WZRBSPASSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)ccc1F ZINC000629540687 350707686 /nfs/dbraw/zinc/70/76/86/350707686.db2.gz SGHCIWQQJLOHPT-SRCQZFHVSA-N 2 2 276.399 3.315 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)ccc1OC ZINC000629543212 350708185 /nfs/dbraw/zinc/70/81/85/350708185.db2.gz VSVWEQDIEDVTHW-FMKPAKJESA-N 2 2 276.424 3.185 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccoc1 ZINC000629543524 350708479 /nfs/dbraw/zinc/70/84/79/350708479.db2.gz BBWXJKKEZGOZQA-NWANDNLSSA-N 2 2 250.386 3.097 20 0 CGADLP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000629544159 350709204 /nfs/dbraw/zinc/70/92/04/350709204.db2.gz HNCDNZIWPCKWCA-KOLCDFICSA-N 2 2 292.370 3.387 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545875 350709622 /nfs/dbraw/zinc/70/96/22/350709622.db2.gz SCJJWGQZZGQFBD-SLEUVZQESA-N 2 2 272.392 3.396 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)C[NH2+]1 ZINC000629396393 350688119 /nfs/dbraw/zinc/68/81/19/350688119.db2.gz LMVXKESDHWRCJB-ZBFHGGJFSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC2CCCC2)C[NH2+]1 ZINC000629396392 350688543 /nfs/dbraw/zinc/68/85/43/350688543.db2.gz LMVXKESDHWRCJB-HOCLYGCPSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000629510142 350698838 /nfs/dbraw/zinc/69/88/38/350698838.db2.gz RHWFVPFTUYYONR-SUMWQHHRSA-N 2 2 275.440 3.215 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000629510142 350698843 /nfs/dbraw/zinc/69/88/43/350698843.db2.gz RHWFVPFTUYYONR-SUMWQHHRSA-N 2 2 275.440 3.215 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000271405103 191120212 /nfs/dbraw/zinc/12/02/12/191120212.db2.gz MFNOOEXOSRTCDU-HOCLYGCPSA-N 2 2 287.407 3.330 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000629655658 350731562 /nfs/dbraw/zinc/73/15/62/350731562.db2.gz XEHRXGKUMSHQED-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000629655658 350731563 /nfs/dbraw/zinc/73/15/63/350731563.db2.gz XEHRXGKUMSHQED-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC2([C@@H]3CCCCO3)CCC2)[nH+]1 ZINC000631246534 351004343 /nfs/dbraw/zinc/00/43/43/351004343.db2.gz WUAKQMJWRFLRKD-INIZCTEOSA-N 2 2 299.418 3.163 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000631565309 351068522 /nfs/dbraw/zinc/06/85/22/351068522.db2.gz DXHYVFJTVQCSKC-CABCVRRESA-N 2 2 296.418 3.364 20 0 CGADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631835950 351150581 /nfs/dbraw/zinc/15/05/81/351150581.db2.gz JIVUNKXBPCIIJI-ZDUSSCGKSA-N 2 2 290.304 3.330 20 0 CGADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631835950 351150583 /nfs/dbraw/zinc/15/05/83/351150583.db2.gz JIVUNKXBPCIIJI-ZDUSSCGKSA-N 2 2 290.304 3.330 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634952631 351608899 /nfs/dbraw/zinc/60/88/99/351608899.db2.gz FDAIRYMZYFHLIG-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccon1 ZINC000634952631 351608901 /nfs/dbraw/zinc/60/89/01/351608901.db2.gz FDAIRYMZYFHLIG-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991822 351619254 /nfs/dbraw/zinc/61/92/54/351619254.db2.gz SGPWUYVAKHLZRH-BZUNDVKYSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991822 351619259 /nfs/dbraw/zinc/61/92/59/351619259.db2.gz SGPWUYVAKHLZRH-BZUNDVKYSA-N 2 2 264.800 3.085 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000634997490 351620749 /nfs/dbraw/zinc/62/07/49/351620749.db2.gz MGYZIVFFPHQXAF-ZDUSSCGKSA-N 2 2 279.453 3.114 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000634997490 351620753 /nfs/dbraw/zinc/62/07/53/351620753.db2.gz MGYZIVFFPHQXAF-ZDUSSCGKSA-N 2 2 279.453 3.114 20 0 CGADLP C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000635004180 351622817 /nfs/dbraw/zinc/62/28/17/351622817.db2.gz NJCJCJQDQCASIA-GXSJLCMTSA-N 2 2 292.370 3.387 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000635009703 351627350 /nfs/dbraw/zinc/62/73/50/351627350.db2.gz ZBAOXOLLUOYGHQ-HERUPUMHSA-N 2 2 273.405 3.247 20 0 CGADLP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+](C)C ZINC000291698648 198062928 /nfs/dbraw/zinc/06/29/28/198062928.db2.gz JZMGQCGYTKHKGA-ZDUSSCGKSA-N 2 2 289.448 3.097 20 0 CGADLP C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271447603 191143004 /nfs/dbraw/zinc/14/30/04/191143004.db2.gz FGODEGWGFTVQPP-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP c1cn(C2CC[NH+](CC3CCCCCC3)CC2)c[nH+]1 ZINC000122581353 187039398 /nfs/dbraw/zinc/03/93/98/187039398.db2.gz ODQCEDMVVJWTEM-UHFFFAOYSA-N 2 2 261.413 3.490 20 0 CGADLP Cc1cnc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000122849276 187055403 /nfs/dbraw/zinc/05/54/03/187055403.db2.gz SIEBOVQMDCBRNJ-UHFFFAOYSA-N 2 2 293.480 3.338 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2)o1 ZINC000124262215 187129113 /nfs/dbraw/zinc/12/91/13/187129113.db2.gz SUXDQKDSQYCUNT-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2)o1 ZINC000124262215 187129114 /nfs/dbraw/zinc/12/91/14/187129114.db2.gz SUXDQKDSQYCUNT-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367600298 234230424 /nfs/dbraw/zinc/23/04/24/234230424.db2.gz JHGWYJACKKMCAZ-OAHLLOKOSA-N 2 2 292.471 3.209 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000367698437 234244062 /nfs/dbraw/zinc/24/40/62/234244062.db2.gz FHXAFRRODLGCSL-HNNXBMFYSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367698437 234244066 /nfs/dbraw/zinc/24/40/66/234244066.db2.gz FHXAFRRODLGCSL-HNNXBMFYSA-N 2 2 281.359 3.156 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000367632533 234236972 /nfs/dbraw/zinc/23/69/72/234236972.db2.gz GMKSKXUNDVYUDW-FHERZECASA-N 2 2 273.424 3.058 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088847 234279029 /nfs/dbraw/zinc/27/90/29/234279029.db2.gz IIDBOTSTTLIIDY-BBWFWOEESA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000368088847 234279033 /nfs/dbraw/zinc/27/90/33/234279033.db2.gz IIDBOTSTTLIIDY-BBWFWOEESA-N 2 2 295.430 3.268 20 0 CGADLP Cc1cccn2c(C[NH2+]C34CCC(CC3)C4)c[nH+]c12 ZINC000368248637 234295021 /nfs/dbraw/zinc/29/50/21/234295021.db2.gz FISIAKPLNUTHCD-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000368579052 234323429 /nfs/dbraw/zinc/32/34/29/234323429.db2.gz SFWVBHJPQWZHNL-BRWVUGGUSA-N 2 2 288.435 3.116 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000154583125 188151763 /nfs/dbraw/zinc/15/17/63/188151763.db2.gz XNFJRUWHVSWRHZ-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000154583125 188151764 /nfs/dbraw/zinc/15/17/64/188151764.db2.gz XNFJRUWHVSWRHZ-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000154538968 188148662 /nfs/dbraw/zinc/14/86/62/188148662.db2.gz WNULIYRLNBRMLF-UWVGGRQHSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000154538968 188148663 /nfs/dbraw/zinc/14/86/63/188148663.db2.gz WNULIYRLNBRMLF-UWVGGRQHSA-N 2 2 258.818 3.146 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000369204981 234362006 /nfs/dbraw/zinc/36/20/06/234362006.db2.gz HMUJHQUDSJOKDX-AWEZNQCLSA-N 2 2 295.496 3.206 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCSC(C)(C)C)C1 ZINC000369204981 234362008 /nfs/dbraw/zinc/36/20/08/234362008.db2.gz HMUJHQUDSJOKDX-AWEZNQCLSA-N 2 2 295.496 3.206 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000156130445 188244544 /nfs/dbraw/zinc/24/45/44/188244544.db2.gz AXYHAVHBMNMKGH-NJZAAPMLSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000156130445 188244545 /nfs/dbraw/zinc/24/45/45/188244545.db2.gz AXYHAVHBMNMKGH-NJZAAPMLSA-N 2 2 294.439 3.435 20 0 CGADLP FC1(F)CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336438265 213301847 /nfs/dbraw/zinc/30/18/47/213301847.db2.gz LUFQDBDSDVLVRH-NSHDSACASA-N 2 2 265.307 3.002 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000156655030 188274634 /nfs/dbraw/zinc/27/46/34/188274634.db2.gz BCMQVMYSCRKZIE-YOEHRIQHSA-N 2 2 276.424 3.220 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000373202477 234613512 /nfs/dbraw/zinc/61/35/12/234613512.db2.gz LUBDMFOGBXGLLR-AWEZNQCLSA-N 2 2 291.782 3.040 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336377348 213230484 /nfs/dbraw/zinc/23/04/84/213230484.db2.gz HSMRFGAHYJATQA-CYBMUJFWSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336377348 213230487 /nfs/dbraw/zinc/23/04/87/213230487.db2.gz HSMRFGAHYJATQA-CYBMUJFWSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c2ccccc12 ZINC000414215016 235365851 /nfs/dbraw/zinc/36/58/51/235365851.db2.gz WSAJGQJIMCHYTO-KDOFPFPSSA-N 2 2 268.404 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c2ccccc12 ZINC000414215016 235365852 /nfs/dbraw/zinc/36/58/52/235365852.db2.gz WSAJGQJIMCHYTO-KDOFPFPSSA-N 2 2 268.404 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000414942440 235499239 /nfs/dbraw/zinc/49/92/39/235499239.db2.gz DLEIFFXSLJNRJD-CABZTGNLSA-N 2 2 290.304 3.075 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2OC)CC1 ZINC000125245881 138380710 /nfs/dbraw/zinc/38/07/10/138380710.db2.gz IZZQNQJZKIKWER-VQHVLOKHSA-N 2 2 288.435 3.125 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2OC)CC1 ZINC000125245881 138380712 /nfs/dbraw/zinc/38/07/12/138380712.db2.gz IZZQNQJZKIKWER-VQHVLOKHSA-N 2 2 288.435 3.125 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1OC ZINC000128956783 138395839 /nfs/dbraw/zinc/39/58/39/138395839.db2.gz ZBUNEDOKBVKTSC-VBQJREDUSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[N@@H+]1C ZINC000129834477 138398208 /nfs/dbraw/zinc/39/82/08/138398208.db2.gz LFHJOBUJWXDEGZ-HFTRVMKXSA-N 2 2 284.403 3.441 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[N@H+]1C ZINC000129834477 138398209 /nfs/dbraw/zinc/39/82/09/138398209.db2.gz LFHJOBUJWXDEGZ-HFTRVMKXSA-N 2 2 284.403 3.441 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422865900 235933757 /nfs/dbraw/zinc/93/37/57/235933757.db2.gz PSOKPVHQWBKDSZ-YOEHRIQHSA-N 2 2 288.435 3.014 20 0 CGADLP CC(C)=CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463283493 535357381 /nfs/dbraw/zinc/35/73/81/535357381.db2.gz UAVFKYIMKHAMBY-UHFFFAOYSA-N 2 2 278.362 3.349 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423233967 236004553 /nfs/dbraw/zinc/00/45/53/236004553.db2.gz FDYJOLBQKHASRN-PBHICJAKSA-N 2 2 254.377 3.346 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cccc2F)c1ccccc1 ZINC000423244776 236007060 /nfs/dbraw/zinc/00/70/60/236007060.db2.gz NYZZARFRJUANKS-SJORKVTESA-N 2 2 270.351 3.103 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)c1ccccc1 ZINC000423249283 236008827 /nfs/dbraw/zinc/00/88/27/236008827.db2.gz OLPNIPHCNYVXKV-BZUAXINKSA-N 2 2 264.388 3.194 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252558 236009584 /nfs/dbraw/zinc/00/95/84/236009584.db2.gz XPQPVRMMDSOPQJ-WCQYABFASA-N 2 2 276.405 3.107 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000423407300 236066453 /nfs/dbraw/zinc/06/64/53/236066453.db2.gz ZSYZJOQZFOIIGJ-YIZRAAEISA-N 2 2 293.358 3.082 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])oc2cc1C ZINC000423450420 236073890 /nfs/dbraw/zinc/07/38/90/236073890.db2.gz SWKOLHWLGOBZPJ-AGIUHOORSA-N 2 2 260.381 3.436 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@]2(F)c2ccccc2)c2ccccc21 ZINC000424377760 236159173 /nfs/dbraw/zinc/15/91/73/236159173.db2.gz RUFDRAYGHNZRSP-OWSLCNJRSA-N 2 2 282.362 3.358 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000294946673 199265174 /nfs/dbraw/zinc/26/51/74/199265174.db2.gz FCCBSOGRMIIBMH-INIZCTEOSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000294946673 199265175 /nfs/dbraw/zinc/26/51/75/199265175.db2.gz FCCBSOGRMIIBMH-INIZCTEOSA-N 2 2 283.419 3.000 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000437071831 237241053 /nfs/dbraw/zinc/24/10/53/237241053.db2.gz AUFVCHPSHDISQT-ZWKOTPCHSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017719 189021120 /nfs/dbraw/zinc/02/11/20/189021120.db2.gz QPLUBTAXGZKZOA-GOEBONIOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177017719 189021121 /nfs/dbraw/zinc/02/11/21/189021121.db2.gz QPLUBTAXGZKZOA-GOEBONIOSA-N 2 2 284.407 3.278 20 0 CGADLP COc1cccc([C@H](C[NH2+][C@H](C)C2CC2)[NH+]2CCCC2)c1 ZINC000177181706 189034695 /nfs/dbraw/zinc/03/46/95/189034695.db2.gz AHYVGLAQZHMMKP-KDOFPFPSSA-N 2 2 288.435 3.220 20 0 CGADLP CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177194081 189035776 /nfs/dbraw/zinc/03/57/76/189035776.db2.gz JCRSLWACHQYTJP-INIZCTEOSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177194081 189035777 /nfs/dbraw/zinc/03/57/77/189035777.db2.gz JCRSLWACHQYTJP-INIZCTEOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000178539354 189125285 /nfs/dbraw/zinc/12/52/85/189125285.db2.gz FBUQLGDRFMTQIY-ZFWWWQNUSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000178539354 189125286 /nfs/dbraw/zinc/12/52/86/189125286.db2.gz FBUQLGDRFMTQIY-ZFWWWQNUSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539354 189125287 /nfs/dbraw/zinc/12/52/87/189125287.db2.gz FBUQLGDRFMTQIY-ZFWWWQNUSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539354 189125288 /nfs/dbraw/zinc/12/52/88/189125288.db2.gz FBUQLGDRFMTQIY-ZFWWWQNUSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137905 189172349 /nfs/dbraw/zinc/17/23/49/189172349.db2.gz SJWHTBRJFHFFLV-GVXVVHGQSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137905 189172350 /nfs/dbraw/zinc/17/23/50/189172350.db2.gz SJWHTBRJFHFFLV-GVXVVHGQSA-N 2 2 279.815 3.011 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000179638299 189209028 /nfs/dbraw/zinc/20/90/28/189209028.db2.gz MYWHZGNWJORWIN-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000179638299 189209029 /nfs/dbraw/zinc/20/90/29/189209029.db2.gz MYWHZGNWJORWIN-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2[nH+]ccn21 ZINC000179698183 189214656 /nfs/dbraw/zinc/21/46/56/189214656.db2.gz NMCFJFLHWJIXMX-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2[nH+]ccn21 ZINC000179698183 189214657 /nfs/dbraw/zinc/21/46/57/189214657.db2.gz NMCFJFLHWJIXMX-UHFFFAOYSA-N 2 2 295.386 3.365 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180036121 189233830 /nfs/dbraw/zinc/23/38/30/189233830.db2.gz WCWFGFUHFSUKCK-UHFFFAOYSA-N 2 2 271.389 3.336 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180036121 189233831 /nfs/dbraw/zinc/23/38/31/189233831.db2.gz WCWFGFUHFSUKCK-UHFFFAOYSA-N 2 2 271.389 3.336 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1c(F)cccc1Cl ZINC000181060427 189287401 /nfs/dbraw/zinc/28/74/01/189287401.db2.gz XMEJSQATOLYOLV-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1c(F)cccc1Cl ZINC000181060427 189287402 /nfs/dbraw/zinc/28/74/02/189287402.db2.gz XMEJSQATOLYOLV-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000182259548 189318384 /nfs/dbraw/zinc/31/83/84/189318384.db2.gz JFGWJCNTMLEGCY-DOMZBBRYSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000182259548 189318385 /nfs/dbraw/zinc/31/83/85/189318385.db2.gz JFGWJCNTMLEGCY-DOMZBBRYSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301665842 201125126 /nfs/dbraw/zinc/12/51/26/201125126.db2.gz WOYIRXMQOHGXKV-HNNXBMFYSA-N 2 2 290.455 3.441 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301665842 201125129 /nfs/dbraw/zinc/12/51/29/201125129.db2.gz WOYIRXMQOHGXKV-HNNXBMFYSA-N 2 2 290.455 3.441 20 0 CGADLP CSCC1CCC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449078989 239163890 /nfs/dbraw/zinc/16/38/90/239163890.db2.gz NFEYRVYJQCFFIR-QQFBHYJXSA-N 2 2 284.513 3.230 20 0 CGADLP CSCC1CCC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000449078989 239163897 /nfs/dbraw/zinc/16/38/97/239163897.db2.gz NFEYRVYJQCFFIR-QQFBHYJXSA-N 2 2 284.513 3.230 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)o1 ZINC000342542093 216389154 /nfs/dbraw/zinc/38/91/54/216389154.db2.gz NVAQOAPUZVIMMY-MRXNPFEDSA-N 2 2 273.380 3.306 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(F)F ZINC000449417435 239399758 /nfs/dbraw/zinc/39/97/58/239399758.db2.gz XZAQNLUGVSCANB-SECBINFHSA-N 2 2 271.336 3.067 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451849390 240369215 /nfs/dbraw/zinc/36/92/15/240369215.db2.gz HKUPZDYRPZCBEE-HNNXBMFYSA-N 2 2 271.364 3.012 20 0 CGADLP Cc1noc(C)c1C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000275346525 193005139 /nfs/dbraw/zinc/00/51/39/193005139.db2.gz YSYYOBNWAOZNNJ-CYBMUJFWSA-N 2 2 287.407 3.148 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000275493635 193057792 /nfs/dbraw/zinc/05/77/92/193057792.db2.gz LIGOYVYAOPVXIG-SJORKVTESA-N 2 2 258.409 3.008 20 0 CGADLP CCC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000120905715 370811767 /nfs/dbraw/zinc/81/17/67/370811767.db2.gz KEUWMSZATIMTKJ-HNNXBMFYSA-N 2 2 284.407 3.279 20 0 CGADLP CCC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000120905715 370811771 /nfs/dbraw/zinc/81/17/71/370811771.db2.gz KEUWMSZATIMTKJ-HNNXBMFYSA-N 2 2 284.407 3.279 20 0 CGADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000275712677 193111027 /nfs/dbraw/zinc/11/10/27/193111027.db2.gz MJJXTQLYSRYBTE-AWEZNQCLSA-N 2 2 287.382 3.463 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)sc1Cl ZINC000335566266 212274413 /nfs/dbraw/zinc/27/44/13/212274413.db2.gz FISVBNLIVXJVOQ-ZETCQYMHSA-N 2 2 279.236 3.458 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCc2c[nH+]cn2C)c1 ZINC000459323674 242071289 /nfs/dbraw/zinc/07/12/89/242071289.db2.gz JCPNMPGOKGUZGA-OAHLLOKOSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCc2c[nH+]cn2C)c1 ZINC000459323674 242071295 /nfs/dbraw/zinc/07/12/95/242071295.db2.gz JCPNMPGOKGUZGA-OAHLLOKOSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C2CCCC2)C1 ZINC000459605598 242143789 /nfs/dbraw/zinc/14/37/89/242143789.db2.gz DEALHPRPSLYHQN-UHFFFAOYSA-N 2 2 258.409 3.445 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000459379691 242094800 /nfs/dbraw/zinc/09/48/00/242094800.db2.gz ALQNQSUFZYRAGC-SFHVURJKSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000459379691 242094806 /nfs/dbraw/zinc/09/48/06/242094806.db2.gz ALQNQSUFZYRAGC-SFHVURJKSA-N 2 2 297.446 3.450 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000459641852 242159653 /nfs/dbraw/zinc/15/96/53/242159653.db2.gz BCFGUDGEDLMSOL-HNNXBMFYSA-N 2 2 294.402 3.230 20 0 CGADLP CCOC[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000459667336 242169611 /nfs/dbraw/zinc/16/96/11/242169611.db2.gz AHOUKPQQCHXEMZ-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CCOC[C@@H]1CCCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000459667336 242169614 /nfs/dbraw/zinc/16/96/14/242169614.db2.gz AHOUKPQQCHXEMZ-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C4CCC4)CCC3)n2c1 ZINC000459740170 242201592 /nfs/dbraw/zinc/20/15/92/242201592.db2.gz JJFIVAHEZKVCPR-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423024223 299376065 /nfs/dbraw/zinc/37/60/65/299376065.db2.gz IRSQVPKXXWXEDA-NILFDRSVSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433919 243104016 /nfs/dbraw/zinc/10/40/16/243104016.db2.gz CJTQLBVRLTWMRU-ZBFHGGJFSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433919 243104019 /nfs/dbraw/zinc/10/40/19/243104019.db2.gz CJTQLBVRLTWMRU-ZBFHGGJFSA-N 2 2 297.446 3.500 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000480263299 243143725 /nfs/dbraw/zinc/14/37/25/243143725.db2.gz LRASDSVXPRKTIZ-STQMWFEESA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000480263299 243143731 /nfs/dbraw/zinc/14/37/31/243143731.db2.gz LRASDSVXPRKTIZ-STQMWFEESA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739889 243205244 /nfs/dbraw/zinc/20/52/44/243205244.db2.gz UDUBWNUPOWHAGE-UHOFOFEASA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739889 243205248 /nfs/dbraw/zinc/20/52/48/243205248.db2.gz UDUBWNUPOWHAGE-UHOFOFEASA-N 2 2 278.415 3.453 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000482890292 243249914 /nfs/dbraw/zinc/24/99/14/243249914.db2.gz RFTMVOFDCLLRAV-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000482890292 243249917 /nfs/dbraw/zinc/24/99/17/243249917.db2.gz RFTMVOFDCLLRAV-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000482461496 243226662 /nfs/dbraw/zinc/22/66/62/243226662.db2.gz SOQLMNGOFRSLNG-CSMYWGQOSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000482461496 243226668 /nfs/dbraw/zinc/22/66/68/243226668.db2.gz SOQLMNGOFRSLNG-CSMYWGQOSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423179198 296124874 /nfs/dbraw/zinc/12/48/74/296124874.db2.gz JEALOTBBABGXGX-SNVBAGLBSA-N 2 2 280.318 3.051 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124958952 370928751 /nfs/dbraw/zinc/92/87/51/370928751.db2.gz YWVRTDKAKXVOBP-KBPBESRZSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124958952 370928759 /nfs/dbraw/zinc/92/87/59/370928759.db2.gz YWVRTDKAKXVOBP-KBPBESRZSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124958952 370928763 /nfs/dbraw/zinc/92/87/63/370928763.db2.gz YWVRTDKAKXVOBP-KBPBESRZSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124958952 370928770 /nfs/dbraw/zinc/92/87/70/370928770.db2.gz YWVRTDKAKXVOBP-KBPBESRZSA-N 2 2 264.388 3.303 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000019960473 368790354 /nfs/dbraw/zinc/79/03/54/368790354.db2.gz GKOISIKLSADACR-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC)cc1 ZINC000019960473 368790360 /nfs/dbraw/zinc/79/03/60/368790360.db2.gz GKOISIKLSADACR-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996619 369047429 /nfs/dbraw/zinc/04/74/29/369047429.db2.gz YBYAZBCXKNWGRI-ARFHVFGLSA-N 2 2 288.460 3.440 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996619 369047433 /nfs/dbraw/zinc/04/74/33/369047433.db2.gz YBYAZBCXKNWGRI-ARFHVFGLSA-N 2 2 288.460 3.440 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904565 369036569 /nfs/dbraw/zinc/03/65/69/369036569.db2.gz YCSHWORRARNUAP-RDJZCZTQSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904565 369036570 /nfs/dbraw/zinc/03/65/70/369036570.db2.gz YCSHWORRARNUAP-RDJZCZTQSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932162 369040110 /nfs/dbraw/zinc/04/01/10/369040110.db2.gz PXHOYUDIPKMELK-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157595 369073373 /nfs/dbraw/zinc/07/33/73/369073373.db2.gz SJLXAZFIXKFVDH-UONOGXRCSA-N 2 2 257.381 3.185 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1cccc(Br)c1 ZINC000037184092 369074844 /nfs/dbraw/zinc/07/48/44/369074844.db2.gz NTYDPCKJMXRFIQ-CYBMUJFWSA-N 2 2 285.229 3.051 20 0 CGADLP Clc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1 ZINC000041064087 369171548 /nfs/dbraw/zinc/17/15/48/369171548.db2.gz AJASVQLKRBHMSJ-OAHLLOKOSA-N 2 2 275.783 3.277 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683864 369265434 /nfs/dbraw/zinc/26/54/34/369265434.db2.gz DXGQQRWAROPHLK-CYBMUJFWSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683864 369265437 /nfs/dbraw/zinc/26/54/37/369265437.db2.gz DXGQQRWAROPHLK-CYBMUJFWSA-N 2 2 284.325 3.032 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000494371065 244282891 /nfs/dbraw/zinc/28/28/91/244282891.db2.gz SXUVPWOZAQQQQR-CQSZACIVSA-N 2 2 296.480 3.147 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411875 244287251 /nfs/dbraw/zinc/28/72/51/244287251.db2.gz PAMNBPJEZOWVNH-INIZCTEOSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000045663824 369283801 /nfs/dbraw/zinc/28/38/01/369283801.db2.gz UUFIDAMPMVHOOL-CQSZACIVSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367193 /nfs/dbraw/zinc/36/71/93/244367193.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 2 296.414 3.473 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367196 /nfs/dbraw/zinc/36/71/96/244367196.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367199 /nfs/dbraw/zinc/36/71/99/244367199.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@@H]2C1 ZINC000495201132 244367202 /nfs/dbraw/zinc/36/72/02/244367202.db2.gz MDQLIHPHDFDTLI-MAUKXSAKSA-N 2 2 296.414 3.473 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000495050272 244348989 /nfs/dbraw/zinc/34/89/89/244348989.db2.gz MDYBOYFBZBAREQ-RKYPPNDESA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000495050272 244348994 /nfs/dbraw/zinc/34/89/94/244348994.db2.gz MDYBOYFBZBAREQ-RKYPPNDESA-N 2 2 272.436 3.456 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000051721339 369453003 /nfs/dbraw/zinc/45/30/03/369453003.db2.gz BKWBISIDUKPVPO-AWEZNQCLSA-N 2 2 264.413 3.196 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000051721339 369453006 /nfs/dbraw/zinc/45/30/06/369453006.db2.gz BKWBISIDUKPVPO-AWEZNQCLSA-N 2 2 264.413 3.196 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448170 369483162 /nfs/dbraw/zinc/48/31/62/369483162.db2.gz BSVWMYOSKCHNHU-LSDHHAIUSA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448170 369483167 /nfs/dbraw/zinc/48/31/67/369483167.db2.gz BSVWMYOSKCHNHU-LSDHHAIUSA-N 2 2 260.425 3.211 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000054077501 369492085 /nfs/dbraw/zinc/49/20/85/369492085.db2.gz HJEBOZRUWYURTI-RHSMWYFYSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000054077499 369492907 /nfs/dbraw/zinc/49/29/07/369492907.db2.gz HJEBOZRUWYURTI-PBHICJAKSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+](C)CC1 ZINC000063105692 369640954 /nfs/dbraw/zinc/64/09/54/369640954.db2.gz XCNHLODDDPIQSG-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)Cn1cc[nH+]c1 ZINC000062254624 369623216 /nfs/dbraw/zinc/62/32/16/369623216.db2.gz CBSVBVMPGWZHCU-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP C[C@H](C[NH2+]Cc1c(F)cccc1Cl)Cn1cc[nH+]c1 ZINC000067500729 369719382 /nfs/dbraw/zinc/71/93/82/369719382.db2.gz CBSVBVMPGWZHCU-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859653 369841272 /nfs/dbraw/zinc/84/12/72/369841272.db2.gz SQHXWCHPTLHUFG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859653 369841276 /nfs/dbraw/zinc/84/12/76/369841276.db2.gz SQHXWCHPTLHUFG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859653 369841280 /nfs/dbraw/zinc/84/12/80/369841280.db2.gz SQHXWCHPTLHUFG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859653 369841284 /nfs/dbraw/zinc/84/12/84/369841284.db2.gz SQHXWCHPTLHUFG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000070149985 369782277 /nfs/dbraw/zinc/78/22/77/369782277.db2.gz CDPUBMJDZICUOC-OAHLLOKOSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000070149985 369782283 /nfs/dbraw/zinc/78/22/83/369782283.db2.gz CDPUBMJDZICUOC-OAHLLOKOSA-N 2 2 285.391 3.045 20 0 CGADLP Cc1csc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)n1 ZINC000083704667 370009630 /nfs/dbraw/zinc/00/96/30/370009630.db2.gz GLLXUFNEKYQGRE-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP Cc1csc(C[NH2+]CCC[N@H+](C)C2CCCCC2)n1 ZINC000083704667 370009633 /nfs/dbraw/zinc/00/96/33/370009633.db2.gz GLLXUFNEKYQGRE-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCCOc3ccccc3)C2)[nH]1 ZINC000080985010 369993208 /nfs/dbraw/zinc/99/32/08/369993208.db2.gz DUBRWALVUCVJQW-INIZCTEOSA-N 2 2 299.418 3.448 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)[nH]1 ZINC000080985010 369993214 /nfs/dbraw/zinc/99/32/14/369993214.db2.gz DUBRWALVUCVJQW-INIZCTEOSA-N 2 2 299.418 3.448 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000090208737 370059346 /nfs/dbraw/zinc/05/93/46/370059346.db2.gz SUTUYXFGKPCGAO-WBVHZDCISA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000090208738 370059360 /nfs/dbraw/zinc/05/93/60/370059360.db2.gz SUTUYXFGKPCGAO-RDJZCZTQSA-N 2 2 292.471 3.064 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)c(C)c1 ZINC000091892565 370076632 /nfs/dbraw/zinc/07/66/32/370076632.db2.gz QEXRERPSNICCTB-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)c(C)c1 ZINC000091892565 370076636 /nfs/dbraw/zinc/07/66/36/370076636.db2.gz QEXRERPSNICCTB-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C)c1 ZINC000091892565 370076642 /nfs/dbraw/zinc/07/66/42/370076642.db2.gz QEXRERPSNICCTB-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C)c1 ZINC000091892565 370076643 /nfs/dbraw/zinc/07/66/43/370076643.db2.gz QEXRERPSNICCTB-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770536 370158449 /nfs/dbraw/zinc/15/84/49/370158449.db2.gz FCRLBRKDXGLRSC-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770536 370158452 /nfs/dbraw/zinc/15/84/52/370158452.db2.gz FCRLBRKDXGLRSC-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770536 370158454 /nfs/dbraw/zinc/15/84/54/370158454.db2.gz FCRLBRKDXGLRSC-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770536 370158456 /nfs/dbraw/zinc/15/84/56/370158456.db2.gz FCRLBRKDXGLRSC-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000514103427 245108778 /nfs/dbraw/zinc/10/87/78/245108778.db2.gz BOQQCGSAIIJTMQ-AWEZNQCLSA-N 2 2 296.405 3.361 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1F)Cn1cc[nH+]c1 ZINC000118960843 370631725 /nfs/dbraw/zinc/63/17/25/370631725.db2.gz VVSRICHJUCHZAJ-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129767615 370999515 /nfs/dbraw/zinc/99/95/15/370999515.db2.gz UYYZNJFEPUWDCP-CRAIPNDOSA-N 2 2 299.418 3.365 20 0 CGADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131316553 371098402 /nfs/dbraw/zinc/09/84/02/371098402.db2.gz ZBAUIEIIHCXRJU-INIZCTEOSA-N 2 2 257.381 3.212 20 0 CGADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131316553 371098409 /nfs/dbraw/zinc/09/84/09/371098409.db2.gz ZBAUIEIIHCXRJU-INIZCTEOSA-N 2 2 257.381 3.212 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000131190012 371089994 /nfs/dbraw/zinc/08/99/94/371089994.db2.gz TZSIXYRBQINGQC-GFCCVEGCSA-N 2 2 263.772 3.230 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000131190012 371089996 /nfs/dbraw/zinc/08/99/96/371089996.db2.gz TZSIXYRBQINGQC-GFCCVEGCSA-N 2 2 263.772 3.230 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000131898341 371137655 /nfs/dbraw/zinc/13/76/55/371137655.db2.gz WKVIYEPIRMOQRG-HOTGVXAUSA-N 2 2 256.324 3.060 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131943324 371142088 /nfs/dbraw/zinc/14/20/88/371142088.db2.gz TUHJCQABUCODSY-KRWDZBQOSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131943324 371142093 /nfs/dbraw/zinc/14/20/93/371142093.db2.gz TUHJCQABUCODSY-KRWDZBQOSA-N 2 2 298.386 3.134 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000132895554 371209961 /nfs/dbraw/zinc/20/99/61/371209961.db2.gz BVZVUIQSQNSOCH-SFHVURJKSA-N 2 2 295.361 3.401 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)CC(C)C ZINC000132914495 371212738 /nfs/dbraw/zinc/21/27/38/371212738.db2.gz NHQTZMDNIAYTDC-KURKYZTESA-N 3 2 297.531 3.063 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000132914495 371212742 /nfs/dbraw/zinc/21/27/42/371212742.db2.gz NHQTZMDNIAYTDC-KURKYZTESA-N 3 2 297.531 3.063 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1c(F)cccc1F ZINC000133787475 371278670 /nfs/dbraw/zinc/27/86/70/371278670.db2.gz RXMQHKLDDBQROO-WOPDTQHZSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cccc1F ZINC000133787475 371278671 /nfs/dbraw/zinc/27/86/71/371278671.db2.gz RXMQHKLDDBQROO-WOPDTQHZSA-N 2 2 268.351 3.098 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000135090588 371389998 /nfs/dbraw/zinc/38/99/98/371389998.db2.gz YYWXTCVOOKQSCL-CYBMUJFWSA-N 2 2 282.403 3.217 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000149714052 371529257 /nfs/dbraw/zinc/52/92/57/371529257.db2.gz XAWDUKWJSYXJJT-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000149714052 371529261 /nfs/dbraw/zinc/52/92/61/371529261.db2.gz XAWDUKWJSYXJJT-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP Clc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150770311 371537234 /nfs/dbraw/zinc/53/72/34/371537234.db2.gz LDMSXPFMCIOBRY-AWEZNQCLSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150770311 371537251 /nfs/dbraw/zinc/53/72/51/371537251.db2.gz LDMSXPFMCIOBRY-AWEZNQCLSA-N 2 2 278.827 3.258 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000151035651 371560627 /nfs/dbraw/zinc/56/06/27/371560627.db2.gz QVHLJDOBEZXTKY-INIZCTEOSA-N 2 2 298.430 3.478 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000151035651 371560631 /nfs/dbraw/zinc/56/06/31/371560631.db2.gz QVHLJDOBEZXTKY-INIZCTEOSA-N 2 2 298.430 3.478 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421866226 371688795 /nfs/dbraw/zinc/68/87/95/371688795.db2.gz AIXRDIPILPYPLO-KCXAZCMYSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421866226 371688798 /nfs/dbraw/zinc/68/87/98/371688798.db2.gz AIXRDIPILPYPLO-KCXAZCMYSA-N 2 2 294.389 3.455 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000422553082 371748111 /nfs/dbraw/zinc/74/81/11/371748111.db2.gz JANVMDBMDOUKGE-SFHVURJKSA-N 2 2 266.388 3.354 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000288972296 371748889 /nfs/dbraw/zinc/74/88/89/371748889.db2.gz BUVNYGKXADVTRU-IBGZPJMESA-N 2 2 296.414 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000288972296 371748890 /nfs/dbraw/zinc/74/88/90/371748890.db2.gz BUVNYGKXADVTRU-IBGZPJMESA-N 2 2 296.414 3.396 20 0 CGADLP CCOc1c(Cl)cccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422559629 371749784 /nfs/dbraw/zinc/74/97/84/371749784.db2.gz DMRVBJNXJSTGQR-UHFFFAOYSA-N 2 2 294.826 3.067 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000422772232 371797610 /nfs/dbraw/zinc/79/76/10/371797610.db2.gz SCCOACGHTYOKJB-WMLDXEAASA-N 2 2 288.435 3.096 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422783671 371806772 /nfs/dbraw/zinc/80/67/72/371806772.db2.gz OQJQGOVNPBLAOP-JTQLQIEISA-N 2 2 295.308 3.364 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422785943 371806903 /nfs/dbraw/zinc/80/69/03/371806903.db2.gz PUBLYCSLAXDGRV-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422789994 371811492 /nfs/dbraw/zinc/81/14/92/371811492.db2.gz XGYGDMZFFOPGCM-RHSMWYFYSA-N 2 2 296.414 3.375 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])co2)cc1 ZINC000422812138 371824334 /nfs/dbraw/zinc/82/43/34/371824334.db2.gz PZLYYFGATQLQGD-SJORKVTESA-N 2 2 299.418 3.400 20 0 CGADLP C[C@@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422839847 371835272 /nfs/dbraw/zinc/83/52/72/371835272.db2.gz ROOLCHDUXPUFFB-SKNMWMDOSA-N 2 2 276.399 3.179 20 0 CGADLP c1cn2c(cccc2CNc2cc(C3CC3)cc[nH+]2)[nH+]1 ZINC000289974400 371867093 /nfs/dbraw/zinc/86/70/93/371867093.db2.gz ZEHLSNQKWVMWET-UHFFFAOYSA-N 2 2 264.332 3.219 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1c[nH+]ccc1N ZINC000423052708 371935464 /nfs/dbraw/zinc/93/54/64/371935464.db2.gz RBIYROPMQFMBIF-SNVBAGLBSA-N 2 2 277.318 3.283 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000155773117 371942447 /nfs/dbraw/zinc/94/24/47/371942447.db2.gz YXNCHLHRLYCHRA-CABCVRRESA-N 2 2 278.440 3.117 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000155773117 371942454 /nfs/dbraw/zinc/94/24/54/371942454.db2.gz YXNCHLHRLYCHRA-CABCVRRESA-N 2 2 278.440 3.117 20 0 CGADLP CC1(C)C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344104268 217052064 /nfs/dbraw/zinc/05/20/64/217052064.db2.gz HHAWXTQEBQFGRA-LLVKDONJSA-N 2 2 261.394 3.070 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000422979493 371898818 /nfs/dbraw/zinc/89/88/18/371898818.db2.gz MXDIDEBPFYGREO-IRXDYDNUSA-N 2 2 297.402 3.105 20 0 CGADLP CSc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccn1 ZINC000422990824 371906371 /nfs/dbraw/zinc/90/63/71/371906371.db2.gz OFNBYZLGMALYCQ-LSDHHAIUSA-N 2 2 285.416 3.038 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000290186666 371927038 /nfs/dbraw/zinc/92/70/38/371927038.db2.gz ZRGBCVWPJUQMQA-HNNXBMFYSA-N 2 2 273.380 3.173 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000290186666 371927048 /nfs/dbraw/zinc/92/70/48/371927048.db2.gz ZRGBCVWPJUQMQA-HNNXBMFYSA-N 2 2 273.380 3.173 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000290200606 371931887 /nfs/dbraw/zinc/93/18/87/371931887.db2.gz CWMAWZOHPXZAJY-KRWDZBQOSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000290200606 371931894 /nfs/dbraw/zinc/93/18/94/371931894.db2.gz CWMAWZOHPXZAJY-KRWDZBQOSA-N 3 2 289.467 3.033 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000156130348 371963764 /nfs/dbraw/zinc/96/37/64/371963764.db2.gz AXYHAVHBMNMKGH-UXIGCNINSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000156130348 371963772 /nfs/dbraw/zinc/96/37/72/371963772.db2.gz AXYHAVHBMNMKGH-UXIGCNINSA-N 2 2 294.439 3.435 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423128162 371980940 /nfs/dbraw/zinc/98/09/40/371980940.db2.gz KKVYSCPCZAKTTN-ROUUACIJSA-N 2 2 284.378 3.462 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000156560650 371985027 /nfs/dbraw/zinc/98/50/27/371985027.db2.gz NXQPNQSLEDVWJF-JSGCOSHPSA-N 2 2 296.842 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000156560650 371985036 /nfs/dbraw/zinc/98/50/36/371985036.db2.gz NXQPNQSLEDVWJF-JSGCOSHPSA-N 2 2 296.842 3.484 20 0 CGADLP Cc1cc[nH+]cc1CCCNc1ccc2c(c1)[nH+]cn2C ZINC000290422735 371986445 /nfs/dbraw/zinc/98/64/45/371986445.db2.gz RBNRGWIDYDPGHC-UHFFFAOYSA-N 2 2 280.375 3.321 20 0 CGADLP CCCc1ncc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423169583 372000131 /nfs/dbraw/zinc/00/01/31/372000131.db2.gz ZJNPXLOFNTZYRY-KBPBESRZSA-N 2 2 279.428 3.028 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)o1 ZINC000423190283 372017746 /nfs/dbraw/zinc/01/77/46/372017746.db2.gz QWVJCFYDJKSTDZ-AWEZNQCLSA-N 2 2 287.407 3.122 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423195434 372019194 /nfs/dbraw/zinc/01/91/94/372019194.db2.gz SMMZSHYYLMJPPQ-MFKMUULPSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2cc(Cl)ccc2o1 ZINC000423196210 372021548 /nfs/dbraw/zinc/02/15/48/372021548.db2.gz UVVSTSZHWVCZFD-GXFFZTMASA-N 2 2 278.783 3.489 20 0 CGADLP [NH3+][C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)c2ccccc21 ZINC000423212316 372034129 /nfs/dbraw/zinc/03/41/29/372034129.db2.gz IBZVZRCKRWNFOP-NVXWUHKLSA-N 2 2 265.360 3.211 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423251604 372044729 /nfs/dbraw/zinc/04/47/29/372044729.db2.gz WHGQRQVWZDJTIE-LBPRGKRZSA-N 2 2 270.829 3.076 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000423361033 372055340 /nfs/dbraw/zinc/05/53/40/372055340.db2.gz GLHBLGVOWMRULC-NAOVROQESA-N 2 2 294.389 3.044 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423390623 372058044 /nfs/dbraw/zinc/05/80/44/372058044.db2.gz OSPVLOOPCNLCKH-DZGCQCFKSA-N 2 2 275.440 3.073 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C2CCCC2)o1 ZINC000423450137 372065044 /nfs/dbraw/zinc/06/50/44/372065044.db2.gz SKYVBMUDUPSMEV-SLEUVZQESA-N 2 2 250.386 3.145 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000158538949 372072159 /nfs/dbraw/zinc/07/21/59/372072159.db2.gz DFQBCDBEMUGZPK-QGZVFWFLSA-N 2 2 273.424 3.139 20 0 CGADLP COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344218068 217101983 /nfs/dbraw/zinc/10/19/83/217101983.db2.gz JESNKJFDQAZKIE-GFCCVEGCSA-N 2 2 293.436 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000040671832 541868153 /nfs/dbraw/zinc/86/81/53/541868153.db2.gz UKSBGEQSNYUBRE-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000040671832 541868155 /nfs/dbraw/zinc/86/81/55/541868155.db2.gz UKSBGEQSNYUBRE-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000040671814 541868274 /nfs/dbraw/zinc/86/82/74/541868274.db2.gz UTCUONSLKCDFLO-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000040671814 541868278 /nfs/dbraw/zinc/86/82/78/541868278.db2.gz UTCUONSLKCDFLO-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672200 541868350 /nfs/dbraw/zinc/86/83/50/541868350.db2.gz XAKKDOQFWXIGGH-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672200 541868353 /nfs/dbraw/zinc/86/83/53/541868353.db2.gz XAKKDOQFWXIGGH-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672486 541868529 /nfs/dbraw/zinc/86/85/29/541868529.db2.gz FFMOGQDIGBVQJA-RDJZCZTQSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672486 541868534 /nfs/dbraw/zinc/86/85/34/541868534.db2.gz FFMOGQDIGBVQJA-RDJZCZTQSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672082 541868574 /nfs/dbraw/zinc/86/85/74/541868574.db2.gz NKICISNTPCASQB-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672082 541868578 /nfs/dbraw/zinc/86/85/78/541868578.db2.gz NKICISNTPCASQB-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000428543222 372228047 /nfs/dbraw/zinc/22/80/47/372228047.db2.gz HJHQTLZQKDVXNB-KBAYOESNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000428543222 372228058 /nfs/dbraw/zinc/22/80/58/372228058.db2.gz HJHQTLZQKDVXNB-KBAYOESNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000040671842 541868844 /nfs/dbraw/zinc/86/88/44/541868844.db2.gz QNXTZIATMXCGSM-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000040671842 541868848 /nfs/dbraw/zinc/86/88/48/541868848.db2.gz QNXTZIATMXCGSM-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000344295518 217137690 /nfs/dbraw/zinc/13/76/90/217137690.db2.gz TYTPOSLVESUROJ-SJORKVTESA-N 2 2 290.451 3.362 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000344318798 217148413 /nfs/dbraw/zinc/14/84/13/217148413.db2.gz BDGMHTAFKBFFDH-RISCZKNCSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(Br)c2)CCC[N@H+]1C ZINC000344318798 217148415 /nfs/dbraw/zinc/14/84/15/217148415.db2.gz BDGMHTAFKBFFDH-RISCZKNCSA-N 2 2 297.240 3.021 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000162456140 372396812 /nfs/dbraw/zinc/39/68/12/372396812.db2.gz INCOCISUYALUKP-MRXNPFEDSA-N 2 2 282.378 3.491 20 0 CGADLP CC1=C[C@H](C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430873619 372397360 /nfs/dbraw/zinc/39/73/60/372397360.db2.gz VIZPFPXFNLYCPO-LBPRGKRZSA-N 2 2 273.405 3.332 20 0 CGADLP CC1=C[C@H](C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430873619 372397364 /nfs/dbraw/zinc/39/73/64/372397364.db2.gz VIZPFPXFNLYCPO-LBPRGKRZSA-N 2 2 273.405 3.332 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429425381 372364267 /nfs/dbraw/zinc/36/42/67/372364267.db2.gz DTUBAMQZFRZWRE-NXHRZFHOSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429425381 372364273 /nfs/dbraw/zinc/36/42/73/372364273.db2.gz DTUBAMQZFRZWRE-NXHRZFHOSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000293626329 372428889 /nfs/dbraw/zinc/42/88/89/372428889.db2.gz HHXZUFAQKYWGGT-HOCLYGCPSA-N 2 2 290.451 3.273 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293641244 372432877 /nfs/dbraw/zinc/43/28/77/372432877.db2.gz RSTPLSAAQDPLPG-UHFFFAOYSA-N 2 2 296.842 3.398 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431172423 372441549 /nfs/dbraw/zinc/44/15/49/372441549.db2.gz WVMCKMPFHFHGNV-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431172423 372441556 /nfs/dbraw/zinc/44/15/56/372441556.db2.gz WVMCKMPFHFHGNV-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293665335 372442530 /nfs/dbraw/zinc/44/25/30/372442530.db2.gz UHITZAHXGVAWNI-KBXCAEBGSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293665335 372442537 /nfs/dbraw/zinc/44/25/37/372442537.db2.gz UHITZAHXGVAWNI-KBXCAEBGSA-N 2 2 299.418 3.126 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000163289660 372460265 /nfs/dbraw/zinc/46/02/65/372460265.db2.gz AXGOORISAFHMDC-CRAIPNDOSA-N 2 2 290.451 3.010 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)cc1 ZINC000163289660 372460266 /nfs/dbraw/zinc/46/02/66/372460266.db2.gz AXGOORISAFHMDC-CRAIPNDOSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccs1 ZINC000163800284 372493185 /nfs/dbraw/zinc/49/31/85/372493185.db2.gz FVGFBXFOUPVWPR-GFCCVEGCSA-N 2 2 261.394 3.296 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1 ZINC000163799023 372493324 /nfs/dbraw/zinc/49/33/24/372493324.db2.gz MNKLAOMNPRUYKG-AWEZNQCLSA-N 2 2 255.365 3.234 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000167886246 372605337 /nfs/dbraw/zinc/60/53/37/372605337.db2.gz INCBNOQCTYJDMP-PBHICJAKSA-N 2 2 290.451 3.130 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000434775285 372709704 /nfs/dbraw/zinc/70/97/04/372709704.db2.gz JQTHLSVTCJGWNP-HOCLYGCPSA-N 2 2 296.499 3.290 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241230 372714410 /nfs/dbraw/zinc/71/44/10/372714410.db2.gz DZAONRDABDASAJ-TZMCWYRMSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241230 372714417 /nfs/dbraw/zinc/71/44/17/372714417.db2.gz DZAONRDABDASAJ-TZMCWYRMSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241230 372714422 /nfs/dbraw/zinc/71/44/22/372714422.db2.gz DZAONRDABDASAJ-TZMCWYRMSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241230 372714424 /nfs/dbraw/zinc/71/44/24/372714424.db2.gz DZAONRDABDASAJ-TZMCWYRMSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353445767 220087495 /nfs/dbraw/zinc/08/74/95/220087495.db2.gz IDQIBADYTUOFPP-MRXNPFEDSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000438087232 372873729 /nfs/dbraw/zinc/87/37/29/372873729.db2.gz WQFZNLLUSQCSLB-CABCVRRESA-N 2 2 278.415 3.393 20 0 CGADLP Cc1cccc2[nH+]c(Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)cn21 ZINC000295713003 372884527 /nfs/dbraw/zinc/88/45/27/372884527.db2.gz GGRKLOYMJRNTBA-OLZOCXBDSA-N 2 2 294.402 3.258 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000438185857 372907656 /nfs/dbraw/zinc/90/76/56/372907656.db2.gz FKNCDXCYHJIMKQ-LNLFQRSKSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000438185857 372907661 /nfs/dbraw/zinc/90/76/61/372907661.db2.gz FKNCDXCYHJIMKQ-LNLFQRSKSA-N 2 2 284.447 3.323 20 0 CGADLP COCCC1(C[NH2+]CC2([NH+](C)C)CCC2)CCCCC1 ZINC000438340192 372929695 /nfs/dbraw/zinc/92/96/95/372929695.db2.gz KGXUSGWVLSOHQE-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000172648515 373001851 /nfs/dbraw/zinc/00/18/51/373001851.db2.gz BQINGNRNVDCORI-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000172648515 373001859 /nfs/dbraw/zinc/00/18/59/373001859.db2.gz BQINGNRNVDCORI-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP c1ccc(C2([NH2+]CC[NH+]3CCCCC3)CCC2)cc1 ZINC000172648861 373004370 /nfs/dbraw/zinc/00/43/70/373004370.db2.gz HFEJPTDOFAGIEL-UHFFFAOYSA-N 2 2 258.409 3.141 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc(F)c1 ZINC000353544150 220148974 /nfs/dbraw/zinc/14/89/74/220148974.db2.gz ATZRYQAXQSLVJI-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc(F)c1 ZINC000353544150 220148975 /nfs/dbraw/zinc/14/89/75/220148975.db2.gz ATZRYQAXQSLVJI-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1cccc(F)c1)Cc1ccco1 ZINC000353544150 220148977 /nfs/dbraw/zinc/14/89/77/220148977.db2.gz ATZRYQAXQSLVJI-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1cccc(F)c1)Cc1ccco1 ZINC000353544150 220148978 /nfs/dbraw/zinc/14/89/78/220148978.db2.gz ATZRYQAXQSLVJI-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000296393551 373117448 /nfs/dbraw/zinc/11/74/48/373117448.db2.gz JZCHCOQWVWBHNT-XJKSGUPXSA-N 2 2 284.407 3.371 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc(F)cc(F)c1 ZINC000444710624 373248043 /nfs/dbraw/zinc/24/80/43/373248043.db2.gz VJNAUKNHKICNBJ-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc(F)cc(F)c1 ZINC000444710624 373248051 /nfs/dbraw/zinc/24/80/51/373248051.db2.gz VJNAUKNHKICNBJ-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000444778292 373270971 /nfs/dbraw/zinc/27/09/71/373270971.db2.gz VWUGORHOEMLRAP-CQSZACIVSA-N 2 2 297.324 3.475 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000174945435 373385039 /nfs/dbraw/zinc/38/50/39/373385039.db2.gz JVHVMGVCJXCVLG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000174945435 373385048 /nfs/dbraw/zinc/38/50/48/373385048.db2.gz JVHVMGVCJXCVLG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000174945435 373385052 /nfs/dbraw/zinc/38/50/52/373385052.db2.gz JVHVMGVCJXCVLG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000174945435 373385057 /nfs/dbraw/zinc/38/50/57/373385057.db2.gz JVHVMGVCJXCVLG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1cccnc1 ZINC000447590141 373458621 /nfs/dbraw/zinc/45/86/21/373458621.db2.gz AHHQFSVFIFCLAU-ZWKOTPCHSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1cccnc1 ZINC000447590141 373458630 /nfs/dbraw/zinc/45/86/30/373458630.db2.gz AHHQFSVFIFCLAU-ZWKOTPCHSA-N 2 2 287.451 3.385 20 0 CGADLP C[NH+](C)C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447735329 373479705 /nfs/dbraw/zinc/47/97/05/373479705.db2.gz CYVLFFUSPZXFRZ-UHFFFAOYSA-N 2 2 298.833 3.438 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CS1 ZINC000448371581 373575644 /nfs/dbraw/zinc/57/56/44/373575644.db2.gz NMWMZGYOHGZFNS-ILXRZTDVSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CS1 ZINC000448371581 373575649 /nfs/dbraw/zinc/57/56/49/373575649.db2.gz NMWMZGYOHGZFNS-ILXRZTDVSA-N 2 2 284.513 3.227 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CCNc1[nH]c2ccccc2[nH+]1 ZINC000301083889 373652400 /nfs/dbraw/zinc/65/24/00/373652400.db2.gz VMYMPCBGVIVTPK-CYBMUJFWSA-N 2 2 272.396 3.239 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CCNc1[nH]c2ccccc2[nH+]1 ZINC000301083889 373652406 /nfs/dbraw/zinc/65/24/06/373652406.db2.gz VMYMPCBGVIVTPK-CYBMUJFWSA-N 2 2 272.396 3.239 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)C1CC1 ZINC000177182856 373660293 /nfs/dbraw/zinc/66/02/93/373660293.db2.gz UCZWOPWFIKMUCZ-GFCCVEGCSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081756 373661672 /nfs/dbraw/zinc/66/16/72/373661672.db2.gz HQWCSBKJKUFWCA-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081756 373661678 /nfs/dbraw/zinc/66/16/78/373661678.db2.gz HQWCSBKJKUFWCA-LSDHHAIUSA-N 2 2 250.430 3.031 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(SC)cc1 ZINC000177320699 373675063 /nfs/dbraw/zinc/67/50/63/373675063.db2.gz JLNDUHNCLNJXPN-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(SC)cc1 ZINC000177320699 373675069 /nfs/dbraw/zinc/67/50/69/373675069.db2.gz JLNDUHNCLNJXPN-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC)cc1 ZINC000177320699 373675073 /nfs/dbraw/zinc/67/50/73/373675073.db2.gz JLNDUHNCLNJXPN-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC)cc1 ZINC000177320699 373675079 /nfs/dbraw/zinc/67/50/79/373675079.db2.gz JLNDUHNCLNJXPN-CVEARBPZSA-N 2 2 290.476 3.467 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000178413357 373777026 /nfs/dbraw/zinc/77/70/26/373777026.db2.gz SENIDYZCQBVPBW-MRXNPFEDSA-N 2 2 282.378 3.491 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000178079286 373741304 /nfs/dbraw/zinc/74/13/04/373741304.db2.gz KWMGLSYORPUUAD-CQSZACIVSA-N 2 2 280.375 3.172 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449486251 373775650 /nfs/dbraw/zinc/77/56/50/373775650.db2.gz STUUUEPAIOPFIZ-NEPJUHHUSA-N 2 2 261.394 3.070 20 0 CGADLP Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc(C(C)C)[nH+]1 ZINC000301620710 373792155 /nfs/dbraw/zinc/79/21/55/373792155.db2.gz CRMYMGYJTNWYPY-HIFRSBDPSA-N 2 2 299.422 3.192 20 0 CGADLP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000302549382 373893120 /nfs/dbraw/zinc/89/31/20/373893120.db2.gz PUGKQMFTHWKFSL-AWEZNQCLSA-N 2 2 299.418 3.164 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(N2CCCC2)c1 ZINC000179677674 373903728 /nfs/dbraw/zinc/90/37/28/373903728.db2.gz YGFBDUYTFAJNTN-MRXNPFEDSA-N 2 2 298.434 3.224 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc2C1 ZINC000180263727 373984723 /nfs/dbraw/zinc/98/47/23/373984723.db2.gz IEMDJIKGAATGHP-QGZVFWFLSA-N 2 2 291.398 3.324 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc2C1 ZINC000180263727 373984728 /nfs/dbraw/zinc/98/47/28/373984728.db2.gz IEMDJIKGAATGHP-QGZVFWFLSA-N 2 2 291.398 3.324 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C12CCC2 ZINC000180749061 374040975 /nfs/dbraw/zinc/04/09/75/374040975.db2.gz CGWJSDXOJFALSU-HOTGVXAUSA-N 2 2 299.418 3.114 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000309862494 374201660 /nfs/dbraw/zinc/20/16/60/374201660.db2.gz DPIKSXOCZSDKMX-INIZCTEOSA-N 2 2 298.430 3.305 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000309862494 374201667 /nfs/dbraw/zinc/20/16/67/374201667.db2.gz DPIKSXOCZSDKMX-INIZCTEOSA-N 2 2 298.430 3.305 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069190 374213458 /nfs/dbraw/zinc/21/34/58/374213458.db2.gz MTNSNHPDHMYQLC-ZOBUZTSGSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069190 374213463 /nfs/dbraw/zinc/21/34/63/374213463.db2.gz MTNSNHPDHMYQLC-ZOBUZTSGSA-N 2 2 272.436 3.080 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nccn1C ZINC000182264337 374248835 /nfs/dbraw/zinc/24/88/35/374248835.db2.gz VFDGVYGGCPEDKK-INIZCTEOSA-N 2 2 292.471 3.115 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nccn1C ZINC000182264337 374248842 /nfs/dbraw/zinc/24/88/42/374248842.db2.gz VFDGVYGGCPEDKK-INIZCTEOSA-N 2 2 292.471 3.115 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000318314310 374342113 /nfs/dbraw/zinc/34/21/13/374342113.db2.gz QZGOLTIQSXKSMT-MORSLUCNSA-N 2 2 297.402 3.090 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319803032 374347643 /nfs/dbraw/zinc/34/76/43/374347643.db2.gz IJVRWYKTDRZXJW-KBPBESRZSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319803032 374347645 /nfs/dbraw/zinc/34/76/45/374347645.db2.gz IJVRWYKTDRZXJW-KBPBESRZSA-N 2 2 297.402 3.282 20 0 CGADLP c1cn(CCC[N@@H+]2CCSC3(CCCCC3)C2)c[nH+]1 ZINC000183185074 374381969 /nfs/dbraw/zinc/38/19/69/374381969.db2.gz OPTUQAYGCHGAPG-UHFFFAOYSA-N 2 2 279.453 3.025 20 0 CGADLP c1cn(CCC[N@H+]2CCSC3(CCCCC3)C2)c[nH+]1 ZINC000183185074 374381974 /nfs/dbraw/zinc/38/19/74/374381974.db2.gz OPTUQAYGCHGAPG-UHFFFAOYSA-N 2 2 279.453 3.025 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334899 374428007 /nfs/dbraw/zinc/42/80/07/374428007.db2.gz XLBCTTHMQWNDME-GTTSAUCSSA-N 2 2 296.817 3.470 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334899 374428014 /nfs/dbraw/zinc/42/80/14/374428014.db2.gz XLBCTTHMQWNDME-GTTSAUCSSA-N 2 2 296.817 3.470 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732866 374555348 /nfs/dbraw/zinc/55/53/48/374555348.db2.gz XGMXYINTKDARRC-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732866 374555352 /nfs/dbraw/zinc/55/53/52/374555352.db2.gz XGMXYINTKDARRC-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1cccc2c(NCCn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000185251853 374622291 /nfs/dbraw/zinc/62/22/91/374622291.db2.gz BKWMAYCVLHFCQO-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCSCC1 ZINC000187150235 374979181 /nfs/dbraw/zinc/97/91/81/374979181.db2.gz CREDXVOELIPTLR-AWEZNQCLSA-N 2 2 293.480 3.395 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000475501069 375134879 /nfs/dbraw/zinc/13/48/79/375134879.db2.gz ILCYVJILSBUGCD-JLZZUVOBSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000475501069 375134885 /nfs/dbraw/zinc/13/48/85/375134885.db2.gz ILCYVJILSBUGCD-JLZZUVOBSA-N 2 2 276.399 3.133 20 0 CGADLP c1ccc(C[C@H]([NH2+]CC[NH+]2CCCCCC2)C2CC2)cc1 ZINC000480262481 375157611 /nfs/dbraw/zinc/15/76/11/375157611.db2.gz KJLCYERPMOCFBB-IBGZPJMESA-N 2 2 286.463 3.473 20 0 CGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000486950585 375199842 /nfs/dbraw/zinc/19/98/42/375199842.db2.gz MAKUBYWRNDZFCN-UAGQMJEPSA-N 2 2 274.452 3.184 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000494631947 375490390 /nfs/dbraw/zinc/49/03/90/375490390.db2.gz KFGNPQRKWCJWGW-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000494631947 375490394 /nfs/dbraw/zinc/49/03/94/375490394.db2.gz KFGNPQRKWCJWGW-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497386078 375595997 /nfs/dbraw/zinc/59/59/97/375595997.db2.gz MQCPWNNFPQANMZ-IAGOWNOFSA-N 2 2 287.451 3.465 20 0 CGADLP CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191871000 375670712 /nfs/dbraw/zinc/67/07/12/375670712.db2.gz CJSAMWBGLSCQFO-UHFFFAOYSA-N 2 2 257.381 3.413 20 0 CGADLP CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191871000 375670718 /nfs/dbraw/zinc/67/07/18/375670718.db2.gz CJSAMWBGLSCQFO-UHFFFAOYSA-N 2 2 257.381 3.413 20 0 CGADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cocn3)c2)CC1 ZINC000192308063 375729983 /nfs/dbraw/zinc/72/99/83/375729983.db2.gz GYRHVLBREHOGAT-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H](CC[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000520498195 375859539 /nfs/dbraw/zinc/85/95/39/375859539.db2.gz LXTABFDROCTMGP-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](CC[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000520498195 375859542 /nfs/dbraw/zinc/85/95/42/375859542.db2.gz LXTABFDROCTMGP-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP Cc1cc[nH+]c(NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000193471027 375883932 /nfs/dbraw/zinc/88/39/32/375883932.db2.gz BCGQTLZERIHRDK-UHFFFAOYSA-N 2 2 292.386 3.441 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000194830982 376046678 /nfs/dbraw/zinc/04/66/78/376046678.db2.gz DCHMZCBIRJBWRO-ZDUSSCGKSA-N 2 2 275.421 3.346 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000194338197 375985836 /nfs/dbraw/zinc/98/58/36/375985836.db2.gz WQDYSUPIFZQPNG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000194338197 375985841 /nfs/dbraw/zinc/98/58/41/375985841.db2.gz WQDYSUPIFZQPNG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000194338197 375985847 /nfs/dbraw/zinc/98/58/47/375985847.db2.gz WQDYSUPIFZQPNG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000194338197 375985853 /nfs/dbraw/zinc/98/58/53/375985853.db2.gz WQDYSUPIFZQPNG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000536561016 376096616 /nfs/dbraw/zinc/09/66/16/376096616.db2.gz ZHVGRRAZFKLZNN-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000536561016 376096623 /nfs/dbraw/zinc/09/66/23/376096623.db2.gz ZHVGRRAZFKLZNN-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536680590 376121621 /nfs/dbraw/zinc/12/16/21/376121621.db2.gz VWWAYCSGNVDGPU-FUHWJXTLSA-N 2 2 288.435 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536680590 376121628 /nfs/dbraw/zinc/12/16/28/376121628.db2.gz VWWAYCSGNVDGPU-FUHWJXTLSA-N 2 2 288.435 3.049 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535912986 376071842 /nfs/dbraw/zinc/07/18/42/376071842.db2.gz FULKEPGQDVLKRL-HNNXBMFYSA-N 2 2 292.386 3.271 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000536881060 376142134 /nfs/dbraw/zinc/14/21/34/376142134.db2.gz FKUMUNUBLVOOAM-QAPCUYQASA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000536881060 376142141 /nfs/dbraw/zinc/14/21/41/376142141.db2.gz FKUMUNUBLVOOAM-QAPCUYQASA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000536995620 376143851 /nfs/dbraw/zinc/14/38/51/376143851.db2.gz XDGCXCKZOVRTGJ-UHFFFAOYSA-N 2 2 298.434 3.186 20 0 CGADLP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000536995620 376143859 /nfs/dbraw/zinc/14/38/59/376143859.db2.gz XDGCXCKZOVRTGJ-UHFFFAOYSA-N 2 2 298.434 3.186 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449312 296239638 /nfs/dbraw/zinc/23/96/38/296239638.db2.gz YWVRTDKAKXVOBP-UONOGXRCSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000247449312 296239639 /nfs/dbraw/zinc/23/96/39/296239639.db2.gz YWVRTDKAKXVOBP-UONOGXRCSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000247449312 296239640 /nfs/dbraw/zinc/23/96/40/296239640.db2.gz YWVRTDKAKXVOBP-UONOGXRCSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000247449312 296239641 /nfs/dbraw/zinc/23/96/41/296239641.db2.gz YWVRTDKAKXVOBP-UONOGXRCSA-N 2 2 264.388 3.303 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000337267904 376178646 /nfs/dbraw/zinc/17/86/46/376178646.db2.gz WXOJHAZGIGFZAG-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000337267904 376178655 /nfs/dbraw/zinc/17/86/55/376178655.db2.gz WXOJHAZGIGFZAG-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000538117092 376220670 /nfs/dbraw/zinc/22/06/70/376220670.db2.gz PXDGOBXXWFYSKQ-YJBOKZPZSA-N 2 2 272.436 3.378 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000538117092 376220675 /nfs/dbraw/zinc/22/06/75/376220675.db2.gz PXDGOBXXWFYSKQ-YJBOKZPZSA-N 2 2 272.436 3.378 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445354 376235445 /nfs/dbraw/zinc/23/54/45/376235445.db2.gz AGDCTYMWFMOSSI-VXGBXAGGSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445354 376235454 /nfs/dbraw/zinc/23/54/54/376235454.db2.gz AGDCTYMWFMOSSI-VXGBXAGGSA-N 2 2 266.351 3.037 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000337991516 376252296 /nfs/dbraw/zinc/25/22/96/376252296.db2.gz IFZMRYQDLNYKGB-XIRDDKMYSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000337991516 376252303 /nfs/dbraw/zinc/25/23/03/376252303.db2.gz IFZMRYQDLNYKGB-XIRDDKMYSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H](C)C2 ZINC000538709083 376257981 /nfs/dbraw/zinc/25/79/81/376257981.db2.gz LQUBLZDCLNDYTQ-QAPCUYQASA-N 2 2 283.419 3.495 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000225384493 376306393 /nfs/dbraw/zinc/30/63/93/376306393.db2.gz WOVFMGYKZDZFSP-HNNXBMFYSA-N 2 2 288.439 3.276 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000334281060 206303520 /nfs/dbraw/zinc/30/35/20/206303520.db2.gz RYOFRVCCLSCXGH-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000334281060 206303523 /nfs/dbraw/zinc/30/35/23/206303523.db2.gz RYOFRVCCLSCXGH-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000542162904 376510877 /nfs/dbraw/zinc/51/08/77/376510877.db2.gz ORRCUHJLMXWNOD-RRFJBIMHSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000542162904 376510881 /nfs/dbraw/zinc/51/08/81/376510881.db2.gz ORRCUHJLMXWNOD-RRFJBIMHSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000230770902 376541070 /nfs/dbraw/zinc/54/10/70/376541070.db2.gz HRMHDZOAWGUPNX-HRCADAONSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000230770902 376541079 /nfs/dbraw/zinc/54/10/79/376541079.db2.gz HRMHDZOAWGUPNX-HRCADAONSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000232726362 376588235 /nfs/dbraw/zinc/58/82/35/376588235.db2.gz KDIZGGKFVXMGHF-KFWWJZLASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000232726362 376588238 /nfs/dbraw/zinc/58/82/38/376588238.db2.gz KDIZGGKFVXMGHF-KFWWJZLASA-N 2 2 252.446 3.274 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CCSc1[nH+]cc2ccccn21 ZINC000339038208 376640361 /nfs/dbraw/zinc/64/03/61/376640361.db2.gz WWWMMDLDEWWQAY-CYBMUJFWSA-N 2 2 275.421 3.301 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CCSc1[nH+]cc2ccccn21 ZINC000339038208 376640367 /nfs/dbraw/zinc/64/03/67/376640367.db2.gz WWWMMDLDEWWQAY-CYBMUJFWSA-N 2 2 275.421 3.301 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000235943845 376655361 /nfs/dbraw/zinc/65/53/61/376655361.db2.gz CSTMSBXAAGHWNO-GHMZBOCLSA-N 2 2 298.228 3.082 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2nc(C)cs2)CC1 ZINC000150944446 542099667 /nfs/dbraw/zinc/09/96/67/542099667.db2.gz RXTBBJTZAHBZBO-CQSZACIVSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000157694286 542137525 /nfs/dbraw/zinc/13/75/25/542137525.db2.gz OOTLHYJHEFIXAM-UONOGXRCSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000157694286 542137529 /nfs/dbraw/zinc/13/75/29/542137529.db2.gz OOTLHYJHEFIXAM-UONOGXRCSA-N 2 2 264.438 3.273 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)c[nH+]c2c1 ZINC000245555049 376850799 /nfs/dbraw/zinc/85/07/99/376850799.db2.gz HWXJXXYXHRVERI-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccn2c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)c[nH+]c2c1 ZINC000245555049 376850805 /nfs/dbraw/zinc/85/08/05/376850805.db2.gz HWXJXXYXHRVERI-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]3CCC[C@H]32)[nH+]1 ZINC000245847854 376918509 /nfs/dbraw/zinc/91/85/09/376918509.db2.gz LRBDYTYMRKSGKA-UKRRQHHQSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]3CCC[C@H]32)[nH+]1 ZINC000245847846 376919011 /nfs/dbraw/zinc/91/90/11/376919011.db2.gz LRBDYTYMRKSGKA-DZGCQCFKSA-N 2 2 255.365 3.099 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000245939498 376938958 /nfs/dbraw/zinc/93/89/58/376938958.db2.gz UOSWZSBSNDJIJB-YNEHKIRRSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000340258518 376968975 /nfs/dbraw/zinc/96/89/75/376968975.db2.gz HTEMPDDXWZVYGV-KBMXLJTQSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000340258518 376968986 /nfs/dbraw/zinc/96/89/86/376968986.db2.gz HTEMPDDXWZVYGV-KBMXLJTQSA-N 2 2 262.441 3.172 20 0 CGADLP CCc1[nH+]c2ccccc2c(N(C)Cc2[nH]cc[nH+]2)c1C ZINC000558494953 377013714 /nfs/dbraw/zinc/01/37/14/377013714.db2.gz GFXJDSMXBYONGL-UHFFFAOYSA-N 2 2 280.375 3.465 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000558260838 376993223 /nfs/dbraw/zinc/99/32/23/376993223.db2.gz XUWILDQKKRRULL-PKOBYXMFSA-N 2 2 299.462 3.347 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259248 376999350 /nfs/dbraw/zinc/99/93/50/376999350.db2.gz YBGGVVBDBGIYLR-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259248 376999356 /nfs/dbraw/zinc/99/93/56/376999356.db2.gz YBGGVVBDBGIYLR-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000559932446 377110287 /nfs/dbraw/zinc/11/02/87/377110287.db2.gz OEKIPMQOKPEVDI-UHFFFAOYSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340477850 377090731 /nfs/dbraw/zinc/09/07/31/377090731.db2.gz YGEXVSYODQQYKQ-ZNMIVQPWSA-N 2 2 293.430 3.239 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340477850 377090733 /nfs/dbraw/zinc/09/07/33/377090733.db2.gz YGEXVSYODQQYKQ-ZNMIVQPWSA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000560856058 377195688 /nfs/dbraw/zinc/19/56/88/377195688.db2.gz WVCLTLGWGISZOK-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000560856058 377195697 /nfs/dbraw/zinc/19/56/97/377195697.db2.gz WVCLTLGWGISZOK-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C)c1O ZINC000340571170 377151405 /nfs/dbraw/zinc/15/14/05/377151405.db2.gz CKNPLVRRSBQDGI-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C)c1O ZINC000340571170 377151408 /nfs/dbraw/zinc/15/14/08/377151408.db2.gz CKNPLVRRSBQDGI-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000247132195 377165308 /nfs/dbraw/zinc/16/53/08/377165308.db2.gz VNQBUCIFGPWDCW-ZIFCJYIRSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000247132195 377165317 /nfs/dbraw/zinc/16/53/17/377165317.db2.gz VNQBUCIFGPWDCW-ZIFCJYIRSA-N 2 2 299.462 3.238 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000247378918 377198506 /nfs/dbraw/zinc/19/85/06/377198506.db2.gz HYYZBHGXWODOMT-FZMZJTMJSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000247378918 377198518 /nfs/dbraw/zinc/19/85/18/377198518.db2.gz HYYZBHGXWODOMT-FZMZJTMJSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000561298283 377218082 /nfs/dbraw/zinc/21/80/82/377218082.db2.gz MSXBBXAJKJMNFJ-SFHVURJKSA-N 2 2 286.463 3.390 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248406907 377311093 /nfs/dbraw/zinc/31/10/93/377311093.db2.gz CJRBLAOZVGFMDT-CABCVRRESA-N 2 2 263.429 3.111 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248406907 377311099 /nfs/dbraw/zinc/31/10/99/377311099.db2.gz CJRBLAOZVGFMDT-CABCVRRESA-N 2 2 263.429 3.111 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000248522623 377334302 /nfs/dbraw/zinc/33/43/02/377334302.db2.gz SAVGOYVCQSIWFM-UNEWFSDZSA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000248522623 377334311 /nfs/dbraw/zinc/33/43/11/377334311.db2.gz SAVGOYVCQSIWFM-UNEWFSDZSA-N 2 2 273.424 3.138 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000562055869 377271048 /nfs/dbraw/zinc/27/10/48/377271048.db2.gz AHLKSAXPQSMAKY-CRAIPNDOSA-N 2 2 287.451 3.347 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265005390 190151287 /nfs/dbraw/zinc/15/12/87/190151287.db2.gz GCQBUCAFGCKSQC-STQMWFEESA-N 2 2 266.816 3.285 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265005390 190151288 /nfs/dbraw/zinc/15/12/88/190151288.db2.gz GCQBUCAFGCKSQC-STQMWFEESA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1 ZINC000310843952 321957798 /nfs/dbraw/zinc/95/77/98/321957798.db2.gz JZHJGVWVTKTBDP-CQSZACIVSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129392 377411696 /nfs/dbraw/zinc/41/16/96/377411696.db2.gz QACKHXPYYQAXHX-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129392 377411699 /nfs/dbraw/zinc/41/16/99/377411699.db2.gz QACKHXPYYQAXHX-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268096 377482607 /nfs/dbraw/zinc/48/26/07/377482607.db2.gz JOESSOYHGRGVOS-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268096 377482612 /nfs/dbraw/zinc/48/26/12/377482612.db2.gz JOESSOYHGRGVOS-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268096 377482620 /nfs/dbraw/zinc/48/26/20/377482620.db2.gz JOESSOYHGRGVOS-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268096 377482625 /nfs/dbraw/zinc/48/26/25/377482625.db2.gz JOESSOYHGRGVOS-MLGOLLRUSA-N 2 2 296.817 3.395 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000163709746 542169468 /nfs/dbraw/zinc/16/94/68/542169468.db2.gz MEHQOOMRBMRGGI-MRXNPFEDSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(Cl)c(C[NH+](C)C)c2)n1C ZINC000341346995 377520559 /nfs/dbraw/zinc/52/05/59/377520559.db2.gz PUQCOVAVRGKLIR-UHFFFAOYSA-N 2 2 292.814 3.056 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000163686639 542167760 /nfs/dbraw/zinc/16/77/60/542167760.db2.gz PRTZQYNDXPIBGA-JKSUJKDBSA-N 2 2 296.499 3.292 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000163619515 542168242 /nfs/dbraw/zinc/16/82/42/542168242.db2.gz CMXXKTYIONZURW-GOSISDBHSA-N 2 2 290.451 3.228 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000313278527 249089891 /nfs/dbraw/zinc/08/98/91/249089891.db2.gz BTIXYGHZZZDSHG-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000250109590 377551951 /nfs/dbraw/zinc/55/19/51/377551951.db2.gz JVOLRKQSWVQAFH-VQIMIIECSA-N 2 2 295.430 3.102 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000250109590 377551960 /nfs/dbraw/zinc/55/19/60/377551960.db2.gz JVOLRKQSWVQAFH-VQIMIIECSA-N 2 2 295.430 3.102 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459500340 249152344 /nfs/dbraw/zinc/15/23/44/249152344.db2.gz GTXAZPONOCSYAQ-AWEZNQCLSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459500340 249152347 /nfs/dbraw/zinc/15/23/47/249152347.db2.gz GTXAZPONOCSYAQ-AWEZNQCLSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(NCCCCNc2cccc[nH+]2)nc(C2CC2)[nH+]1 ZINC000265290089 190172790 /nfs/dbraw/zinc/17/27/90/190172790.db2.gz BDMIBJSPWQKTGL-UHFFFAOYSA-N 2 2 297.406 3.362 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000514782236 249188912 /nfs/dbraw/zinc/18/89/12/249188912.db2.gz BQMNARBESWPRSD-GFCCVEGCSA-N 2 2 295.839 3.290 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2[C@H]1CCc2ccc(F)cc21 ZINC000516193394 249227932 /nfs/dbraw/zinc/22/79/32/249227932.db2.gz LINLLSNATNQBMU-PDOTXMHQSA-N 2 2 274.383 3.016 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2[C@H]1CCc2ccc(F)cc21 ZINC000516193394 249227935 /nfs/dbraw/zinc/22/79/35/249227935.db2.gz LINLLSNATNQBMU-PDOTXMHQSA-N 2 2 274.383 3.016 20 0 CGADLP Fc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000265533812 190188525 /nfs/dbraw/zinc/18/85/25/190188525.db2.gz VSDSHIPCRKDCTD-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000573860696 377585651 /nfs/dbraw/zinc/58/56/51/377585651.db2.gz ZQGOXVWSVSAUDF-LBPRGKRZSA-N 2 2 293.361 3.324 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252715668 377655252 /nfs/dbraw/zinc/65/52/52/377655252.db2.gz WIQRVSAZYOHVOY-MJBXVCDLSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252715668 377655259 /nfs/dbraw/zinc/65/52/59/377655259.db2.gz WIQRVSAZYOHVOY-MJBXVCDLSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252721978 377656967 /nfs/dbraw/zinc/65/69/67/377656967.db2.gz PHHYKFIMKVNLRB-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000252721978 377656976 /nfs/dbraw/zinc/65/69/76/377656976.db2.gz PHHYKFIMKVNLRB-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP COCc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000252802740 377664487 /nfs/dbraw/zinc/66/44/87/377664487.db2.gz USCOFRMBZCSPMU-MAUKXSAKSA-N 2 2 299.418 3.113 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000252894312 377669007 /nfs/dbraw/zinc/66/90/07/377669007.db2.gz UPPQHMWWXMQKCQ-IINYFYTJSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000252894312 377669014 /nfs/dbraw/zinc/66/90/14/377669014.db2.gz UPPQHMWWXMQKCQ-IINYFYTJSA-N 2 2 287.234 3.423 20 0 CGADLP CCc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342608337 377687263 /nfs/dbraw/zinc/68/72/63/377687263.db2.gz SILJXYBIDAIAMQ-UHFFFAOYSA-N 2 2 283.419 3.394 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000342693375 377739442 /nfs/dbraw/zinc/73/94/42/377739442.db2.gz ACFQJDKHLZJRSK-OIISXLGYSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000342693375 377739450 /nfs/dbraw/zinc/73/94/50/377739450.db2.gz ACFQJDKHLZJRSK-OIISXLGYSA-N 2 2 287.451 3.070 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]2c2ccccc2)[nH+]1 ZINC000342678187 377728638 /nfs/dbraw/zinc/72/86/38/377728638.db2.gz SYNJXRBJZFYFKM-MRXNPFEDSA-N 2 2 263.344 3.281 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]2c2ccccc2)[nH+]1 ZINC000342678187 377728641 /nfs/dbraw/zinc/72/86/41/377728641.db2.gz SYNJXRBJZFYFKM-MRXNPFEDSA-N 2 2 263.344 3.281 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000342718526 377754437 /nfs/dbraw/zinc/75/44/37/377754437.db2.gz GLJGAUMGHMGPBH-HLLBOEOZSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000342718526 377754442 /nfs/dbraw/zinc/75/44/42/377754442.db2.gz GLJGAUMGHMGPBH-HLLBOEOZSA-N 2 2 260.425 3.080 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725683 377758907 /nfs/dbraw/zinc/75/89/07/377758907.db2.gz KKADYYBUTXHROX-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725683 377758913 /nfs/dbraw/zinc/75/89/13/377758913.db2.gz KKADYYBUTXHROX-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725683 377758919 /nfs/dbraw/zinc/75/89/19/377758919.db2.gz KKADYYBUTXHROX-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000342725683 377758924 /nfs/dbraw/zinc/75/89/24/377758924.db2.gz KKADYYBUTXHROX-WFASDCNBSA-N 2 2 293.480 3.183 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000261570260 377817470 /nfs/dbraw/zinc/81/74/70/377817470.db2.gz KFYIIRSOGKJBCY-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000261570260 377817476 /nfs/dbraw/zinc/81/74/76/377817476.db2.gz KFYIIRSOGKJBCY-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261584065 377824127 /nfs/dbraw/zinc/82/41/27/377824127.db2.gz SBBWBAPRFMKTJP-UXIGCNINSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261584065 377824136 /nfs/dbraw/zinc/82/41/36/377824136.db2.gz SBBWBAPRFMKTJP-UXIGCNINSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261905638 377864916 /nfs/dbraw/zinc/86/49/16/377864916.db2.gz WZEDFDDGSXWGML-CXAGYDPISA-N 2 2 285.391 3.073 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261905638 377864922 /nfs/dbraw/zinc/86/49/22/377864922.db2.gz WZEDFDDGSXWGML-CXAGYDPISA-N 2 2 285.391 3.073 20 0 CGADLP C[C@]1(c2ccccc2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342939872 377866865 /nfs/dbraw/zinc/86/68/65/377866865.db2.gz FJROGQXOESMKSP-IBGZPJMESA-N 2 2 291.398 3.498 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])co2)cc1 ZINC000261929072 377868804 /nfs/dbraw/zinc/86/88/04/377868804.db2.gz JGJFBIIVQUXTJU-QGZVFWFLSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])co2)cc1 ZINC000261929072 377868812 /nfs/dbraw/zinc/86/88/12/377868812.db2.gz JGJFBIIVQUXTJU-QGZVFWFLSA-N 2 2 299.418 3.353 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000261948729 377870922 /nfs/dbraw/zinc/87/09/22/377870922.db2.gz NQPPZLOWRPDLKP-CYBMUJFWSA-N 2 2 264.388 3.133 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000261948729 377870927 /nfs/dbraw/zinc/87/09/27/377870927.db2.gz NQPPZLOWRPDLKP-CYBMUJFWSA-N 2 2 264.388 3.133 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262111776 377885907 /nfs/dbraw/zinc/88/59/07/377885907.db2.gz KKNCJASOGATTDP-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262111776 377885914 /nfs/dbraw/zinc/88/59/14/377885914.db2.gz KKNCJASOGATTDP-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000261796134 377854997 /nfs/dbraw/zinc/85/49/97/377854997.db2.gz GPQSPOIMIVUSSJ-LLVKDONJSA-N 2 2 284.806 3.223 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000261796134 377855000 /nfs/dbraw/zinc/85/50/00/377855000.db2.gz GPQSPOIMIVUSSJ-LLVKDONJSA-N 2 2 284.806 3.223 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CCC([NH2+]C)CC1 ZINC000261803601 377855443 /nfs/dbraw/zinc/85/54/43/377855443.db2.gz HDHFDMWSLADPQJ-UHFFFAOYSA-N 2 2 266.816 3.086 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)c1cccc(C)c1C ZINC000343318770 377952168 /nfs/dbraw/zinc/95/21/68/377952168.db2.gz GYKMIHBWIHMXIP-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)c1cccc(C)c1C ZINC000343318770 377952169 /nfs/dbraw/zinc/95/21/69/377952169.db2.gz GYKMIHBWIHMXIP-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP c1cn2c(cccc2C[NH2+]Cc2cc3ccccc3[nH]2)[nH+]1 ZINC000343858087 378115884 /nfs/dbraw/zinc/11/58/84/378115884.db2.gz XCQFKRLSTBWKME-UHFFFAOYSA-N 2 2 276.343 3.105 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000268830036 378125441 /nfs/dbraw/zinc/12/54/41/378125441.db2.gz KCLPGOZOVMTNLK-SCDSUCTJSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000268830036 378125448 /nfs/dbraw/zinc/12/54/48/378125448.db2.gz KCLPGOZOVMTNLK-SCDSUCTJSA-N 2 2 264.438 3.190 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000268831027 378126171 /nfs/dbraw/zinc/12/61/71/378126171.db2.gz QYELESVBQXPCGQ-YOEHRIQHSA-N 2 2 287.407 3.411 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000579082697 378128963 /nfs/dbraw/zinc/12/89/63/378128963.db2.gz BYKNUZJCLQDUOC-OAHLLOKOSA-N 2 2 289.467 3.460 20 0 CGADLP CC[N@H+](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345187262 378217277 /nfs/dbraw/zinc/21/72/77/378217277.db2.gz IIICDMSSEHKJBC-LBPRGKRZSA-N 2 2 284.806 3.443 20 0 CGADLP CC[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345187262 378217284 /nfs/dbraw/zinc/21/72/84/378217284.db2.gz IIICDMSSEHKJBC-LBPRGKRZSA-N 2 2 284.806 3.443 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H]1CC=CCC1)CCC2 ZINC000344506982 378173926 /nfs/dbraw/zinc/17/39/26/378173926.db2.gz BQZSDLTZKSWJFR-LSDHHAIUSA-N 2 2 259.397 3.015 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000579687050 378183253 /nfs/dbraw/zinc/18/32/53/378183253.db2.gz BHRNFVFAIALIQT-QGZVFWFLSA-N 2 2 283.419 3.103 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000269970723 378288849 /nfs/dbraw/zinc/28/88/49/378288849.db2.gz ODFQFUMLHKJWGH-RHSMWYFYSA-N 2 2 269.392 3.247 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000580259462 378235915 /nfs/dbraw/zinc/23/59/15/378235915.db2.gz IWPAQVJWWCLGGI-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000580259462 378235917 /nfs/dbraw/zinc/23/59/17/378235917.db2.gz IWPAQVJWWCLGGI-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000582367884 378307890 /nfs/dbraw/zinc/30/78/90/378307890.db2.gz JTMCKGSLBONDTJ-GOEBONIOSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@H](C)[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000582367884 378307900 /nfs/dbraw/zinc/30/79/00/378307900.db2.gz JTMCKGSLBONDTJ-GOEBONIOSA-N 2 2 263.429 3.253 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000583570609 378332352 /nfs/dbraw/zinc/33/23/52/378332352.db2.gz AJYTVOVJYFKUFT-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000583570609 378332354 /nfs/dbraw/zinc/33/23/54/378332354.db2.gz AJYTVOVJYFKUFT-HUUCEWRRSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000270688372 378389140 /nfs/dbraw/zinc/38/91/40/378389140.db2.gz WYQCKUBRJYBSPG-LBPRGKRZSA-N 2 2 261.344 3.024 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000270688372 378389145 /nfs/dbraw/zinc/38/91/45/378389145.db2.gz WYQCKUBRJYBSPG-LBPRGKRZSA-N 2 2 261.344 3.024 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346063382 378453848 /nfs/dbraw/zinc/45/38/48/378453848.db2.gz GJDGBHQKMLWJCV-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346063382 378453851 /nfs/dbraw/zinc/45/38/51/378453851.db2.gz GJDGBHQKMLWJCV-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCc1cc(N(C)Cc2[nH+]ccn2C)c2ccccc2[nH+]1 ZINC000270966134 378418732 /nfs/dbraw/zinc/41/87/32/378418732.db2.gz RXRGGDMSNORPHW-UHFFFAOYSA-N 2 2 280.375 3.167 20 0 CGADLP C[NH+](C)CCCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000271010437 378427231 /nfs/dbraw/zinc/42/72/31/378427231.db2.gz XPFIASKBEWHQQB-UHFFFAOYSA-N 2 2 298.434 3.188 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H]2CCOC3(CCCCC3)C2)[nH+]1 ZINC000271265471 378486498 /nfs/dbraw/zinc/48/64/98/378486498.db2.gz NIOHTZUXASMSPE-HNNXBMFYSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccn1 ZINC000346204246 378503968 /nfs/dbraw/zinc/50/39/68/378503968.db2.gz PRGKUAYWDUUJTP-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccn1 ZINC000346204246 378503972 /nfs/dbraw/zinc/50/39/72/378503972.db2.gz PRGKUAYWDUUJTP-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC000266129688 190232879 /nfs/dbraw/zinc/23/28/79/190232879.db2.gz CNQKBPUEUUZIDS-MRXNPFEDSA-N 2 2 282.391 3.034 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000637988128 378657625 /nfs/dbraw/zinc/65/76/25/378657625.db2.gz UUUMFFNDUQTARV-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272545161 378663445 /nfs/dbraw/zinc/66/34/45/378663445.db2.gz GFCBQKBMFFPJOH-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272545161 378663453 /nfs/dbraw/zinc/66/34/53/378663453.db2.gz GFCBQKBMFFPJOH-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP CC[NH+](CC)CC1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000346741122 378686381 /nfs/dbraw/zinc/68/63/81/378686381.db2.gz PTIYHMYGUNCCIM-UHFFFAOYSA-N 2 2 290.455 3.158 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000348101642 378791585 /nfs/dbraw/zinc/79/15/85/378791585.db2.gz IQCYBHBOJKIGIW-IAGOWNOFSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@@H](C)[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)OC ZINC000638442362 378803977 /nfs/dbraw/zinc/80/39/77/378803977.db2.gz SNEMSIKDAFXLSB-CZUORRHYSA-N 2 2 289.423 3.146 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346807849 218020189 /nfs/dbraw/zinc/02/01/89/218020189.db2.gz MTVTYYULBKKYOC-VHSSKADRSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346807849 218020191 /nfs/dbraw/zinc/02/01/91/218020191.db2.gz MTVTYYULBKKYOC-VHSSKADRSA-N 2 2 288.435 3.145 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000348176325 378823792 /nfs/dbraw/zinc/82/37/92/378823792.db2.gz UFNVDZWVWFRAHT-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000274537786 378847463 /nfs/dbraw/zinc/84/74/63/378847463.db2.gz ZQTWGOVACVBTFT-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000274537786 378847469 /nfs/dbraw/zinc/84/74/69/378847469.db2.gz ZQTWGOVACVBTFT-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000348233661 378852766 /nfs/dbraw/zinc/85/27/66/378852766.db2.gz KHSYZQYOOGYDQX-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000348233661 378852771 /nfs/dbraw/zinc/85/27/71/378852771.db2.gz KHSYZQYOOGYDQX-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000274663829 378872418 /nfs/dbraw/zinc/87/24/18/378872418.db2.gz NQKMEDSCPYOEDA-RHSMWYFYSA-N 2 2 287.382 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000274663829 378872422 /nfs/dbraw/zinc/87/24/22/378872422.db2.gz NQKMEDSCPYOEDA-RHSMWYFYSA-N 2 2 287.382 3.148 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000347004687 218089793 /nfs/dbraw/zinc/08/97/93/218089793.db2.gz ANXZMZFWEFJLNR-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000347004687 218089794 /nfs/dbraw/zinc/08/97/94/218089794.db2.gz ANXZMZFWEFJLNR-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000347009000 218091845 /nfs/dbraw/zinc/09/18/45/218091845.db2.gz FFWHQDOWQKVRNO-VIFPVBQESA-N 2 2 292.732 3.139 20 0 CGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000347009000 218091848 /nfs/dbraw/zinc/09/18/48/218091848.db2.gz FFWHQDOWQKVRNO-VIFPVBQESA-N 2 2 292.732 3.139 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)c[nH+]1 ZINC000348523399 378976396 /nfs/dbraw/zinc/97/63/96/378976396.db2.gz DNBVMROOCWQKJY-ROUUACIJSA-N 2 2 299.418 3.001 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CC[C@H](C)C1 ZINC000348414111 378947424 /nfs/dbraw/zinc/94/74/24/378947424.db2.gz UWNMQILEXVOGRZ-MAUKXSAKSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CC[C@H](C)C1 ZINC000348414111 378947427 /nfs/dbraw/zinc/94/74/27/378947427.db2.gz UWNMQILEXVOGRZ-MAUKXSAKSA-N 2 2 290.451 3.460 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCSCC1 ZINC000348449648 378957127 /nfs/dbraw/zinc/95/71/27/378957127.db2.gz XOSKWGUORDVSDP-UHFFFAOYSA-N 2 2 287.432 3.120 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCSCC1 ZINC000348449648 378957131 /nfs/dbraw/zinc/95/71/31/378957131.db2.gz XOSKWGUORDVSDP-UHFFFAOYSA-N 2 2 287.432 3.120 20 0 CGADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000347142632 218135589 /nfs/dbraw/zinc/13/55/89/218135589.db2.gz WVZVMZXPVIBAAU-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000347145632 218138218 /nfs/dbraw/zinc/13/82/18/218138218.db2.gz XZWHQGWUWFTJFN-MRVPVSSYSA-N 2 2 280.721 3.138 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000347145632 218138220 /nfs/dbraw/zinc/13/82/20/218138220.db2.gz XZWHQGWUWFTJFN-MRVPVSSYSA-N 2 2 280.721 3.138 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639072179 379003279 /nfs/dbraw/zinc/00/32/79/379003279.db2.gz SMQLAXIJVXPDSG-XHSDSOJGSA-N 2 2 273.424 3.313 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC(C4CCC4)C3)cc2)c[nH+]1 ZINC000348744089 379038338 /nfs/dbraw/zinc/03/83/38/379038338.db2.gz YBZPSCJELOATJU-UHFFFAOYSA-N 2 2 267.376 3.104 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347317185 218189352 /nfs/dbraw/zinc/18/93/52/218189352.db2.gz ITCOTZPTIGDVEP-KRWDZBQOSA-N 2 2 274.452 3.187 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccco2)CC1 ZINC000278712230 194116438 /nfs/dbraw/zinc/11/64/38/194116438.db2.gz OTFVVZLMCQRACB-UHFFFAOYSA-N 2 2 272.348 3.026 20 0 CGADLP C[C@H]1C[C@@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@@H+]1C ZINC000639211155 379145882 /nfs/dbraw/zinc/14/58/82/379145882.db2.gz RNLFDMXQXWOKRV-WFASDCNBSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@H]1C[C@@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@H+]1C ZINC000639211155 379145889 /nfs/dbraw/zinc/14/58/89/379145889.db2.gz RNLFDMXQXWOKRV-WFASDCNBSA-N 2 2 259.397 3.244 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000349150754 379171126 /nfs/dbraw/zinc/17/11/26/379171126.db2.gz NCVKWZNDZDTADA-ZDUSSCGKSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000349150754 379171132 /nfs/dbraw/zinc/17/11/32/379171132.db2.gz NCVKWZNDZDTADA-ZDUSSCGKSA-N 2 2 281.359 3.156 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000349152670 379171993 /nfs/dbraw/zinc/17/19/93/379171993.db2.gz QOBLECRBBVMRGP-OAHLLOKOSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000349152670 379172002 /nfs/dbraw/zinc/17/20/02/379172002.db2.gz QOBLECRBBVMRGP-OAHLLOKOSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000347492734 218253722 /nfs/dbraw/zinc/25/37/22/218253722.db2.gz KJDDCLLHDXFURY-DOMZBBRYSA-N 2 2 289.810 3.245 20 0 CGADLP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000266437322 190257544 /nfs/dbraw/zinc/25/75/44/190257544.db2.gz VHKPDRXJUZKNTI-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Cl)o1 ZINC000349373184 379255146 /nfs/dbraw/zinc/25/51/46/379255146.db2.gz WOAXUQSIXGSCTF-UHFFFAOYSA-N 2 2 272.820 3.487 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Cl)o1 ZINC000349373184 379255156 /nfs/dbraw/zinc/25/51/56/379255156.db2.gz WOAXUQSIXGSCTF-UHFFFAOYSA-N 2 2 272.820 3.487 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000349377110 379257547 /nfs/dbraw/zinc/25/75/47/379257547.db2.gz IDLORWYPQDQZEI-BGTYHANMSA-N 2 2 290.451 3.083 20 0 CGADLP Cc1cc(C)c(/C=C\C[N@@H+](C)CC2C[NH+](C)C2)cc1C ZINC000639309373 379258649 /nfs/dbraw/zinc/25/86/49/379258649.db2.gz NNOMTWZAJJMXKZ-SREVYHEPSA-N 2 2 272.436 3.118 20 0 CGADLP Cc1cc(C)c(/C=C\C[N@H+](C)CC2C[NH+](C)C2)cc1C ZINC000639309373 379258659 /nfs/dbraw/zinc/25/86/59/379258659.db2.gz NNOMTWZAJJMXKZ-SREVYHEPSA-N 2 2 272.436 3.118 20 0 CGADLP CCc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)o1 ZINC000349424138 379280480 /nfs/dbraw/zinc/28/04/80/379280480.db2.gz ZGRVILYFYXFSCB-UHFFFAOYSA-N 2 2 264.413 3.150 20 0 CGADLP CCc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)o1 ZINC000349424138 379280490 /nfs/dbraw/zinc/28/04/90/379280490.db2.gz ZGRVILYFYXFSCB-UHFFFAOYSA-N 2 2 264.413 3.150 20 0 CGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349615949 379320476 /nfs/dbraw/zinc/32/04/76/379320476.db2.gz VVKIVZCFZLCQPM-UHFFFAOYSA-N 2 2 295.839 3.148 20 0 CGADLP C([NH2+]CC1CCSCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000639344711 379301068 /nfs/dbraw/zinc/30/10/68/379301068.db2.gz BCXQOSJCPOGMAT-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP C([NH2+]CC1CCSCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000639344711 379301077 /nfs/dbraw/zinc/30/10/77/379301077.db2.gz BCXQOSJCPOGMAT-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1ccccc1OCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199007 379392242 /nfs/dbraw/zinc/39/22/42/379392242.db2.gz VRKNUFLVYVCCAK-UHFFFAOYSA-N 2 2 299.418 3.367 20 0 CGADLP C(=C/c1ccccc1)\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207058 379392673 /nfs/dbraw/zinc/39/26/73/379392673.db2.gz HNQAEAKHFJVIGS-QPJJXVBHSA-N 2 2 267.376 3.303 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+](C)[C@@H]3C[NH+]4CCC3CC4)cc21 ZINC000639392821 379356778 /nfs/dbraw/zinc/35/67/78/379356778.db2.gz LXKKJNYEQFTKTQ-GOSISDBHSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+](C)[C@@H]3C[NH+]4CCC3CC4)cc21 ZINC000639392821 379356786 /nfs/dbraw/zinc/35/67/86/379356786.db2.gz LXKKJNYEQFTKTQ-GOSISDBHSA-N 2 2 283.419 3.002 20 0 CGADLP C[N@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395525 379361016 /nfs/dbraw/zinc/36/10/16/379361016.db2.gz BHTVWDVPHDKXOM-MRXNPFEDSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395525 379361023 /nfs/dbraw/zinc/36/10/23/379361023.db2.gz BHTVWDVPHDKXOM-MRXNPFEDSA-N 2 2 288.366 3.098 20 0 CGADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569706733 322254754 /nfs/dbraw/zinc/25/47/54/322254754.db2.gz SBEYBQNDYGIOIG-GOEBONIOSA-N 2 2 263.429 3.253 20 0 CGADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000569706733 322254755 /nfs/dbraw/zinc/25/47/55/322254755.db2.gz SBEYBQNDYGIOIG-GOEBONIOSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(C)[nH+]1 ZINC000639538840 379461951 /nfs/dbraw/zinc/46/19/51/379461951.db2.gz WENXGHBBWPZYGH-IBGZPJMESA-N 2 2 296.414 3.099 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(C)[nH+]1 ZINC000639538840 379461961 /nfs/dbraw/zinc/46/19/61/379461961.db2.gz WENXGHBBWPZYGH-IBGZPJMESA-N 2 2 296.414 3.099 20 0 CGADLP CC[N@H+](Cc1ccncc1)Cc1c(C)cc(C)[nH+]c1C ZINC000639555530 379471044 /nfs/dbraw/zinc/47/10/44/379471044.db2.gz QRBAIGRLICMBOI-UHFFFAOYSA-N 2 2 269.392 3.424 20 0 CGADLP CC[N@@H+](Cc1ccncc1)Cc1c(C)cc(C)[nH+]c1C ZINC000639555530 379471054 /nfs/dbraw/zinc/47/10/54/379471054.db2.gz QRBAIGRLICMBOI-UHFFFAOYSA-N 2 2 269.392 3.424 20 0 CGADLP CCOc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266714239 190276505 /nfs/dbraw/zinc/27/65/05/190276505.db2.gz FZWOXUZAMUHFPK-UHFFFAOYSA-N 2 2 285.391 3.188 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1CCCCCC1)CCCC2 ZINC000376756806 379600844 /nfs/dbraw/zinc/60/08/44/379600844.db2.gz FCPJSGIUGQKWBL-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000639987117 379677728 /nfs/dbraw/zinc/67/77/28/379677728.db2.gz WSUHWDNYRUOYOO-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377759519 379733386 /nfs/dbraw/zinc/73/33/86/379733386.db2.gz ZHGSTLDZTQRIEN-ZIAGYGMSSA-N 2 2 299.418 3.243 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377759519 379733391 /nfs/dbraw/zinc/73/33/91/379733391.db2.gz ZHGSTLDZTQRIEN-ZIAGYGMSSA-N 2 2 299.418 3.243 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377784722 379741124 /nfs/dbraw/zinc/74/11/24/379741124.db2.gz PSVCEPJJYFFNBV-HNNXBMFYSA-N 2 2 299.418 3.236 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377784722 379741131 /nfs/dbraw/zinc/74/11/31/379741131.db2.gz PSVCEPJJYFFNBV-HNNXBMFYSA-N 2 2 299.418 3.236 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352527234 379845031 /nfs/dbraw/zinc/84/50/31/379845031.db2.gz YAQQJZGAMIZFRV-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352527234 379845035 /nfs/dbraw/zinc/84/50/35/379845035.db2.gz YAQQJZGAMIZFRV-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352544969 379851424 /nfs/dbraw/zinc/85/14/24/379851424.db2.gz FHHCWQPRKOKNHM-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352544969 379851430 /nfs/dbraw/zinc/85/14/30/379851430.db2.gz FHHCWQPRKOKNHM-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352685488 379909053 /nfs/dbraw/zinc/90/90/53/379909053.db2.gz UVGQYVLRVXOSKM-ZQIUZPCESA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352685488 379909060 /nfs/dbraw/zinc/90/90/60/379909060.db2.gz UVGQYVLRVXOSKM-ZQIUZPCESA-N 2 2 288.435 3.137 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(F)cn1 ZINC000352720719 379923156 /nfs/dbraw/zinc/92/31/56/379923156.db2.gz MVQJJIAUHOMPKA-MRXNPFEDSA-N 2 2 293.430 3.382 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352604865 379872841 /nfs/dbraw/zinc/87/28/41/379872841.db2.gz DAEOKAHOIJERPP-QGTPRVQTSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)[C@@H](C)C1 ZINC000352604865 379872867 /nfs/dbraw/zinc/87/28/67/379872867.db2.gz DAEOKAHOIJERPP-QGTPRVQTSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295872 379895602 /nfs/dbraw/zinc/89/56/02/379895602.db2.gz YPFVGMNPCWPHFP-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295872 379895606 /nfs/dbraw/zinc/89/56/06/379895606.db2.gz YPFVGMNPCWPHFP-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000389306883 379895720 /nfs/dbraw/zinc/89/57/20/379895720.db2.gz FLCLBVVFAJDZAZ-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000389306883 379895725 /nfs/dbraw/zinc/89/57/25/379895725.db2.gz FLCLBVVFAJDZAZ-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000389208417 379896697 /nfs/dbraw/zinc/89/66/97/379896697.db2.gz BIVMGTILBFUBHB-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000389208417 379896701 /nfs/dbraw/zinc/89/67/01/379896701.db2.gz BIVMGTILBFUBHB-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641268993 379982879 /nfs/dbraw/zinc/98/28/79/379982879.db2.gz ZVFIDQLKSSUJIP-UHFFFAOYSA-N 2 2 299.418 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352811409 379975320 /nfs/dbraw/zinc/97/53/20/379975320.db2.gz ULADAGZVHVJISM-GOPGUHFVSA-N 2 2 294.389 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352811409 379975328 /nfs/dbraw/zinc/97/53/28/379975328.db2.gz ULADAGZVHVJISM-GOPGUHFVSA-N 2 2 294.389 3.488 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCC(F)(F)F ZINC000347844211 218374576 /nfs/dbraw/zinc/37/45/76/218374576.db2.gz HALCFVQKTXQQHE-UHFFFAOYSA-N 2 2 260.303 3.207 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCC(F)(F)F ZINC000347844211 218374578 /nfs/dbraw/zinc/37/45/78/218374578.db2.gz HALCFVQKTXQQHE-UHFFFAOYSA-N 2 2 260.303 3.207 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324921 379948022 /nfs/dbraw/zinc/94/80/22/379948022.db2.gz CZCFBQGNHGSBAL-GYSYKLTISA-N 2 2 252.789 3.131 20 0 CGADLP CCO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854830 218377898 /nfs/dbraw/zinc/37/78/98/218377898.db2.gz DGKLJFSSXJRNLU-IRXDYDNUSA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000347854830 218377900 /nfs/dbraw/zinc/37/79/00/218377900.db2.gz DGKLJFSSXJRNLU-IRXDYDNUSA-N 2 2 290.451 3.458 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000352832800 379990518 /nfs/dbraw/zinc/99/05/18/379990518.db2.gz PYUBUCPYSPMVFO-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352832800 379990521 /nfs/dbraw/zinc/99/05/21/379990521.db2.gz PYUBUCPYSPMVFO-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352832800 379990528 /nfs/dbraw/zinc/99/05/28/379990528.db2.gz PYUBUCPYSPMVFO-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352832800 379990532 /nfs/dbraw/zinc/99/05/32/379990532.db2.gz PYUBUCPYSPMVFO-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP CSc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000641746670 380075247 /nfs/dbraw/zinc/07/52/47/380075247.db2.gz BZUADFVKLFHFNT-CYBMUJFWSA-N 2 2 282.453 3.356 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000641798288 380111771 /nfs/dbraw/zinc/11/17/71/380111771.db2.gz DYGHQBZXWZIWRT-HACGYAERSA-N 2 2 299.418 3.126 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805272 380113135 /nfs/dbraw/zinc/11/31/35/380113135.db2.gz FIGZLTHQYPQICT-IJLUTSLNSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805272 380113140 /nfs/dbraw/zinc/11/31/40/380113140.db2.gz FIGZLTHQYPQICT-IJLUTSLNSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC000353245993 380187401 /nfs/dbraw/zinc/18/74/01/380187401.db2.gz DDMOKVSDIKLTSG-VXGBXAGGSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC000353245993 380187406 /nfs/dbraw/zinc/18/74/06/380187406.db2.gz DDMOKVSDIKLTSG-VXGBXAGGSA-N 2 2 274.399 3.273 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000353317649 380202992 /nfs/dbraw/zinc/20/29/92/380202992.db2.gz XJYSDVBJWXNNHA-QGZVFWFLSA-N 2 2 288.435 3.103 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000268295677 190393473 /nfs/dbraw/zinc/39/34/73/190393473.db2.gz FUOVWFYZRZCKFL-CQSZACIVSA-N 2 2 271.364 3.232 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353935197 380243954 /nfs/dbraw/zinc/24/39/54/380243954.db2.gz ZIBUAXHRFQDGLG-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000353935197 380243957 /nfs/dbraw/zinc/24/39/57/380243957.db2.gz ZIBUAXHRFQDGLG-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccccn2)c[nH+]1 ZINC000353935150 380244275 /nfs/dbraw/zinc/24/42/75/380244275.db2.gz YUNFPDPCSZEDMN-AWEZNQCLSA-N 2 2 255.365 3.068 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945130 380248084 /nfs/dbraw/zinc/24/80/84/380248084.db2.gz NLUJFIKZVNQVLR-SJORKVTESA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000353945130 380248090 /nfs/dbraw/zinc/24/80/90/380248090.db2.gz NLUJFIKZVNQVLR-SJORKVTESA-N 3 2 289.467 3.175 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067272 380210509 /nfs/dbraw/zinc/21/05/09/380210509.db2.gz YQHKKBCTFPVRFR-QAPCUYQASA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067272 380210512 /nfs/dbraw/zinc/21/05/12/380210512.db2.gz YQHKKBCTFPVRFR-QAPCUYQASA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067114 380210876 /nfs/dbraw/zinc/21/08/76/380210876.db2.gz YCBYNKXLLVZVQG-AUUYWEPGSA-N 2 2 290.410 3.440 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067114 380210883 /nfs/dbraw/zinc/21/08/83/380210883.db2.gz YCBYNKXLLVZVQG-AUUYWEPGSA-N 2 2 290.410 3.440 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000353748933 380221669 /nfs/dbraw/zinc/22/16/69/380221669.db2.gz UBMCVONHNGEWLZ-AWEZNQCLSA-N 2 2 281.469 3.071 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000353748933 380221675 /nfs/dbraw/zinc/22/16/75/380221675.db2.gz UBMCVONHNGEWLZ-AWEZNQCLSA-N 2 2 281.469 3.071 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)[nH+]1 ZINC000353921451 380235828 /nfs/dbraw/zinc/23/58/28/380235828.db2.gz HEEDQWLVDSSMMF-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353929533 380240938 /nfs/dbraw/zinc/24/09/38/380240938.db2.gz MZVQGVDTNGRTLL-WMZOPIPTSA-N 2 2 299.418 3.167 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643500992 380322070 /nfs/dbraw/zinc/32/20/70/380322070.db2.gz NHTKIPONEYGVTE-ZBFHGGJFSA-N 2 2 276.424 3.268 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643501717 380324950 /nfs/dbraw/zinc/32/49/50/380324950.db2.gz OOTMJCCBGLJZBO-DLBZAZTESA-N 2 2 258.409 3.178 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccsc2S1 ZINC000643506543 380327868 /nfs/dbraw/zinc/32/78/68/380327868.db2.gz AMSCPYXDRFCBPZ-CABZTGNLSA-N 2 2 268.451 3.015 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]CC[NH2+]C3CC3)oc2cc1C ZINC000643506998 380328209 /nfs/dbraw/zinc/32/82/09/380328209.db2.gz OWUJOKLSFSMWSR-CYBMUJFWSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000643506572 380328228 /nfs/dbraw/zinc/32/82/28/380328228.db2.gz BNQLMGNKBYAOKV-SNVBAGLBSA-N 2 2 278.783 3.489 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)s1 ZINC000643511417 380334171 /nfs/dbraw/zinc/33/41/71/380334171.db2.gz IVYNDOFUCPDOAG-IINYFYTJSA-N 2 2 281.469 3.318 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000643464979 380313391 /nfs/dbraw/zinc/31/33/91/380313391.db2.gz URIDSYPGEKEUPL-RYUDHWBXSA-N 2 2 267.442 3.059 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467560 380315409 /nfs/dbraw/zinc/31/54/09/380315409.db2.gz UHWATQSEDWKNQS-WQVCFCJDSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414688746 380374305 /nfs/dbraw/zinc/37/43/05/380374305.db2.gz DTEBCALGNZAXGQ-GXTWGEPZSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414688746 380374309 /nfs/dbraw/zinc/37/43/09/380374309.db2.gz DTEBCALGNZAXGQ-GXTWGEPZSA-N 2 2 281.469 3.134 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@@H](C[NH3+])C1 ZINC000414771437 380396292 /nfs/dbraw/zinc/39/62/92/380396292.db2.gz QXEOHUIFJOZATR-SMDDNHRTSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@@H](C[NH3+])C1 ZINC000414771437 380396298 /nfs/dbraw/zinc/39/62/98/380396298.db2.gz QXEOHUIFJOZATR-SMDDNHRTSA-N 2 2 276.355 3.131 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414707987 380382003 /nfs/dbraw/zinc/38/20/03/380382003.db2.gz PRUZZHQUWXMMBH-OAHLLOKOSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414707987 380382004 /nfs/dbraw/zinc/38/20/04/380382004.db2.gz PRUZZHQUWXMMBH-OAHLLOKOSA-N 2 2 278.415 3.078 20 0 CGADLP CC[C@@](C)([NH2+]C[C@@H]([NH3+])CC(C)C)c1nc(C)cs1 ZINC000414711301 380383098 /nfs/dbraw/zinc/38/30/98/380383098.db2.gz QYKRCSRRYLUHGS-GXTWGEPZSA-N 2 2 269.458 3.040 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1OCc1ccccc1 ZINC000643526072 380341097 /nfs/dbraw/zinc/34/10/97/380341097.db2.gz OTGRPCIXUJRUAP-LSDHHAIUSA-N 2 2 284.403 3.263 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000643528261 380345362 /nfs/dbraw/zinc/34/53/62/380345362.db2.gz GFXHVSNYVVFFPK-BXKDBHETSA-N 2 2 270.829 3.204 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000643538319 380355632 /nfs/dbraw/zinc/35/56/32/380355632.db2.gz GVKONPWYUZYNPG-HNKHHVNMSA-N 2 2 296.817 3.266 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCC2)cc1 ZINC000643538283 380356216 /nfs/dbraw/zinc/35/62/16/380356216.db2.gz DRVRBTAZNFHARA-YESZJQIVSA-N 2 2 276.399 3.126 20 0 CGADLP Cc1cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000414667491 380360476 /nfs/dbraw/zinc/36/04/76/380360476.db2.gz XXBMVTGPJSBCAN-CQSZACIVSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000414667491 380360481 /nfs/dbraw/zinc/36/04/81/380360481.db2.gz XXBMVTGPJSBCAN-CQSZACIVSA-N 2 2 298.352 3.340 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000354398196 380423774 /nfs/dbraw/zinc/42/37/74/380423774.db2.gz FVFGVFFZLQYQNG-OAHLLOKOSA-N 2 2 296.499 3.434 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414855558 380456901 /nfs/dbraw/zinc/45/69/01/380456901.db2.gz WZYHAVBINOYFFF-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP CCCC[C@@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354491116 380457757 /nfs/dbraw/zinc/45/77/57/380457757.db2.gz CVHFWANQEUMBOQ-INIZCTEOSA-N 2 2 264.413 3.117 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000354449614 380442624 /nfs/dbraw/zinc/44/26/24/380442624.db2.gz AMLMEHGCPIVFAY-RDJZCZTQSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414840993 380447299 /nfs/dbraw/zinc/44/72/99/380447299.db2.gz XMSNNCNJUIINTA-WCQYABFASA-N 2 2 274.330 3.397 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414844231 380450424 /nfs/dbraw/zinc/45/04/24/380450424.db2.gz KPIXIYXGLDOPLP-MRXNPFEDSA-N 2 2 278.440 3.072 20 0 CGADLP C[N@H+](Cc1cnc(-c2ccccc2)s1)C1(C[NH3+])CCC1 ZINC000414775313 380399275 /nfs/dbraw/zinc/39/92/75/380399275.db2.gz BVCMDGBEYHZRTF-UHFFFAOYSA-N 2 2 287.432 3.123 20 0 CGADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)C1(C[NH3+])CCC1 ZINC000414775313 380399281 /nfs/dbraw/zinc/39/92/81/380399281.db2.gz BVCMDGBEYHZRTF-UHFFFAOYSA-N 2 2 287.432 3.123 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)Cc2cccc(O)c2)c[nH+]1 ZINC000354330054 380400446 /nfs/dbraw/zinc/40/04/46/380400446.db2.gz NKLRPTSKUWUVKT-HNNXBMFYSA-N 2 2 284.403 3.249 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414795479 380410418 /nfs/dbraw/zinc/41/04/18/380410418.db2.gz AFKAAOFALNLQBT-UHFFFAOYSA-N 2 2 293.430 3.033 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CC([NH3+])(CC)CC ZINC000414804488 380416881 /nfs/dbraw/zinc/41/68/81/380416881.db2.gz FIHURDBZLDIWJD-UHFFFAOYSA-N 2 2 284.831 3.346 20 0 CGADLP COC[C@H]1CCCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354663984 380519613 /nfs/dbraw/zinc/51/96/13/380519613.db2.gz OGTXBKQDIWPRBH-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@H]1CCCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354663984 380519617 /nfs/dbraw/zinc/51/96/17/380519617.db2.gz OGTXBKQDIWPRBH-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP [NH3+]C[C@H]([NH2+]C1CCSCC1)c1ccc2ccccc2c1 ZINC000414940816 380498748 /nfs/dbraw/zinc/49/87/48/380498748.db2.gz KOBHODSNDCFCGA-KRWDZBQOSA-N 2 2 286.444 3.325 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414942646 380499825 /nfs/dbraw/zinc/49/98/25/380499825.db2.gz BWZDSLLSSRKYTC-GOSISDBHSA-N 2 2 284.378 3.111 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414942850 380500953 /nfs/dbraw/zinc/50/09/53/380500953.db2.gz CGWZFHDMPOXHQJ-FZMZJTMJSA-N 2 2 286.341 3.194 20 0 CGADLP Cc1cnc([C@@H](C)C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000354643368 380511111 /nfs/dbraw/zinc/51/11/11/380511111.db2.gz FZFTXBPIGKVYRC-LBPRGKRZSA-N 2 2 289.448 3.481 20 0 CGADLP COCC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccco1 ZINC000354648452 380512990 /nfs/dbraw/zinc/51/29/90/380512990.db2.gz MAFSWTKEGYFGSA-INIZCTEOSA-N 2 2 288.391 3.283 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414864955 380465713 /nfs/dbraw/zinc/46/57/13/380465713.db2.gz DPMSMIIRRYKWBI-UHFFFAOYSA-N 2 2 294.748 3.448 20 0 CGADLP C[NH2+]Cc1cccc(NCCCc2ccc(C)[nH+]c2)c1 ZINC000414873127 380468621 /nfs/dbraw/zinc/46/86/21/380468621.db2.gz XAMFPKKDUBNRCM-UHFFFAOYSA-N 2 2 269.392 3.154 20 0 CGADLP CC1(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355125113 380587425 /nfs/dbraw/zinc/58/74/25/380587425.db2.gz PUSCOCPRVCWKBH-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355125113 380587428 /nfs/dbraw/zinc/58/74/28/380587428.db2.gz PUSCOCPRVCWKBH-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302133 380587497 /nfs/dbraw/zinc/58/74/97/380587497.db2.gz CAZLCELAFAXCFT-DEDQRHPVSA-N 2 2 290.476 3.312 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302133 380587503 /nfs/dbraw/zinc/58/75/03/380587503.db2.gz CAZLCELAFAXCFT-DEDQRHPVSA-N 2 2 290.476 3.312 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355128622 380589608 /nfs/dbraw/zinc/58/96/08/380589608.db2.gz CXXIAALFOQESEV-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355128622 380589611 /nfs/dbraw/zinc/58/96/11/380589611.db2.gz CXXIAALFOQESEV-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355128622 380589619 /nfs/dbraw/zinc/58/96/19/380589619.db2.gz CXXIAALFOQESEV-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355128622 380589621 /nfs/dbraw/zinc/58/96/21/380589621.db2.gz CXXIAALFOQESEV-AKHDSKFASA-N 2 2 284.447 3.349 20 0 CGADLP COC1CCC(C)(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000355137484 380595030 /nfs/dbraw/zinc/59/50/30/380595030.db2.gz QXVJPDSNWZZZNN-UHFFFAOYSA-N 2 2 287.407 3.019 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000417350937 380603065 /nfs/dbraw/zinc/60/30/65/380603065.db2.gz BICUFMMOQQHGLO-HNNXBMFYSA-N 2 2 295.430 3.493 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000417351128 380603397 /nfs/dbraw/zinc/60/33/97/380603397.db2.gz BWLOIUHLBHSONE-IAGOWNOFSA-N 2 2 272.436 3.181 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417352988 380603867 /nfs/dbraw/zinc/60/38/67/380603867.db2.gz HOKYBALHNYAQGY-IAGOWNOFSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337989831 296312387 /nfs/dbraw/zinc/31/23/87/296312387.db2.gz QYXWCTDWGSCJJY-PMPSAXMXSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337989831 296312390 /nfs/dbraw/zinc/31/23/90/296312390.db2.gz QYXWCTDWGSCJJY-PMPSAXMXSA-N 2 2 270.436 3.369 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000645406939 380673643 /nfs/dbraw/zinc/67/36/43/380673643.db2.gz HBXPTPHJIYUBSA-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000645406939 380673646 /nfs/dbraw/zinc/67/36/46/380673646.db2.gz HBXPTPHJIYUBSA-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355704040 380755972 /nfs/dbraw/zinc/75/59/72/380755972.db2.gz UXHFBNYXUMDRAP-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP COc1cccc2c(NCC3([NH+](C)C)CC3)c(C)c[nH+]c12 ZINC000419009985 380762846 /nfs/dbraw/zinc/76/28/46/380762846.db2.gz OPIQQVLJMIKNEF-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP CN(CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000645793660 380734670 /nfs/dbraw/zinc/73/46/70/380734670.db2.gz DVKLRMCLYTYZCW-SFHVURJKSA-N 2 2 298.434 3.047 20 0 CGADLP CN(CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000645793660 380734674 /nfs/dbraw/zinc/73/46/74/380734674.db2.gz DVKLRMCLYTYZCW-SFHVURJKSA-N 2 2 298.434 3.047 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645827254 380744185 /nfs/dbraw/zinc/74/41/85/380744185.db2.gz QJBCQMIEWHFFON-XMTFNYHQSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645827254 380744188 /nfs/dbraw/zinc/74/41/88/380744188.db2.gz QJBCQMIEWHFFON-XMTFNYHQSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645827254 380744190 /nfs/dbraw/zinc/74/41/90/380744190.db2.gz QJBCQMIEWHFFON-XMTFNYHQSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645827254 380744196 /nfs/dbraw/zinc/74/41/96/380744196.db2.gz QJBCQMIEWHFFON-XMTFNYHQSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000355683534 380750103 /nfs/dbraw/zinc/75/01/03/380750103.db2.gz ODTRIPLVIDUEOF-CQSZACIVSA-N 2 2 297.358 3.447 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052322 380812536 /nfs/dbraw/zinc/81/25/36/380812536.db2.gz LHFCVSKPYMSUQD-HOCLYGCPSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000646052322 380812542 /nfs/dbraw/zinc/81/25/42/380812542.db2.gz LHFCVSKPYMSUQD-HOCLYGCPSA-N 2 2 275.440 3.111 20 0 CGADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000357348193 381118439 /nfs/dbraw/zinc/11/84/39/381118439.db2.gz XHAISYMUSHVFRH-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CSc1cc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)ccn1 ZINC000357371738 381130837 /nfs/dbraw/zinc/13/08/37/381130837.db2.gz RFRMYSFABZXGDX-UHFFFAOYSA-N 2 2 298.415 3.049 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359086033 381337425 /nfs/dbraw/zinc/33/74/25/381337425.db2.gz UIAOTBRJOLWFJV-OOHWJJMZSA-N 2 2 287.451 3.312 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000360986028 381641764 /nfs/dbraw/zinc/64/17/64/381641764.db2.gz JBBDYVFFHZGUAD-YJBOKZPZSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000360986028 381641771 /nfs/dbraw/zinc/64/17/71/381641771.db2.gz JBBDYVFFHZGUAD-YJBOKZPZSA-N 2 2 288.435 3.234 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361456636 381753997 /nfs/dbraw/zinc/75/39/97/381753997.db2.gz MCTDHLXDWXDHRJ-WCQYABFASA-N 2 2 278.362 3.181 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000361699208 381864472 /nfs/dbraw/zinc/86/44/72/381864472.db2.gz ABDYZQPDIDNEBL-UHFFFAOYSA-N 2 2 273.424 3.092 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000362523393 382036028 /nfs/dbraw/zinc/03/60/28/382036028.db2.gz DRPNRLZCXVJVSX-IINYFYTJSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000362523393 382036032 /nfs/dbraw/zinc/03/60/32/382036032.db2.gz DRPNRLZCXVJVSX-IINYFYTJSA-N 2 2 282.790 3.194 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000232728479 542306615 /nfs/dbraw/zinc/30/66/15/542306615.db2.gz JANXOYVYILCSGX-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232728479 542306618 /nfs/dbraw/zinc/30/66/18/542306618.db2.gz JANXOYVYILCSGX-IRXDYDNUSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000335257507 208040651 /nfs/dbraw/zinc/04/06/51/208040651.db2.gz RKZXGYUWVLUUDU-MNOVXSKESA-N 2 2 296.827 3.076 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1n1cc[nH+]c1 ZINC000335257507 208040658 /nfs/dbraw/zinc/04/06/58/208040658.db2.gz RKZXGYUWVLUUDU-MNOVXSKESA-N 2 2 296.827 3.076 20 0 CGADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000353750430 220302132 /nfs/dbraw/zinc/30/21/32/220302132.db2.gz OEWUXRCRRKINBZ-CHWSQXEVSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000353750430 220302136 /nfs/dbraw/zinc/30/21/36/220302136.db2.gz OEWUXRCRRKINBZ-CHWSQXEVSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353750430 220302139 /nfs/dbraw/zinc/30/21/39/220302139.db2.gz OEWUXRCRRKINBZ-CHWSQXEVSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353750430 220302143 /nfs/dbraw/zinc/30/21/43/220302143.db2.gz OEWUXRCRRKINBZ-CHWSQXEVSA-N 2 2 281.469 3.010 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000289322163 197297019 /nfs/dbraw/zinc/29/70/19/197297019.db2.gz TXTLXGZZOWHNFX-UHFFFAOYSA-N 3 2 289.467 3.033 20 0 CGADLP COCc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289299772 197289533 /nfs/dbraw/zinc/28/95/33/197289533.db2.gz QSYIPDRERGALKV-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000353852805 220367646 /nfs/dbraw/zinc/36/76/46/220367646.db2.gz DIUAHMFNEFVZRU-LBPRGKRZSA-N 2 2 298.377 3.375 20 0 CGADLP C[N@H+](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289195644 197260166 /nfs/dbraw/zinc/26/01/66/197260166.db2.gz BBIPCPGGVILMEH-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[N@@H+](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289195644 197260167 /nfs/dbraw/zinc/26/01/67/197260167.db2.gz BBIPCPGGVILMEH-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289195644 197260169 /nfs/dbraw/zinc/26/01/69/197260169.db2.gz BBIPCPGGVILMEH-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP C[NH+](Cc1cc(F)c(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289195644 197260170 /nfs/dbraw/zinc/26/01/70/197260170.db2.gz BBIPCPGGVILMEH-FUNVUKJBSA-N 2 2 298.352 3.161 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248462556 285289111 /nfs/dbraw/zinc/28/91/11/285289111.db2.gz YKPYWFRBSCOARN-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248462556 285289119 /nfs/dbraw/zinc/28/91/19/285289119.db2.gz YKPYWFRBSCOARN-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000348275470 542517546 /nfs/dbraw/zinc/51/75/46/542517546.db2.gz CEWXNTHCYIKBMQ-ZSVAQUKISA-N 2 2 280.378 3.283 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000188459809 262297756 /nfs/dbraw/zinc/29/77/56/262297756.db2.gz XTMDNQYFYQBPJM-WBVHZDCISA-N 2 2 258.409 3.063 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000188459809 262297758 /nfs/dbraw/zinc/29/77/58/262297758.db2.gz XTMDNQYFYQBPJM-WBVHZDCISA-N 2 2 258.409 3.063 20 0 CGADLP COC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(Cl)c1 ZINC000423176167 285398468 /nfs/dbraw/zinc/39/84/68/285398468.db2.gz GJOSDNOXRUCSRZ-HNNXBMFYSA-N 2 2 296.842 3.279 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@@H]2C ZINC000359543389 533272828 /nfs/dbraw/zinc/27/28/28/533272828.db2.gz UQJCNHXJKIURCT-LSDHHAIUSA-N 2 2 299.418 3.290 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCn1cc[nH+]c1)[C@@H]2C ZINC000359543389 533272833 /nfs/dbraw/zinc/27/28/33/533272833.db2.gz UQJCNHXJKIURCT-LSDHHAIUSA-N 2 2 299.418 3.290 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000423288060 533352044 /nfs/dbraw/zinc/35/20/44/533352044.db2.gz QHJULRLBDNKKLK-SECBINFHSA-N 2 2 266.772 3.474 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)ccc1F ZINC000368500003 533466951 /nfs/dbraw/zinc/46/69/51/533466951.db2.gz VAEUEUINWSIREG-LLVKDONJSA-N 2 2 291.345 3.348 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(C)c1O ZINC000367309108 533602989 /nfs/dbraw/zinc/60/29/89/533602989.db2.gz UFKOLXQPNGTVNH-MRXNPFEDSA-N 2 2 285.391 3.043 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(C)c1O ZINC000367309108 533602995 /nfs/dbraw/zinc/60/29/95/533602995.db2.gz UFKOLXQPNGTVNH-MRXNPFEDSA-N 2 2 285.391 3.043 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423303648 533542450 /nfs/dbraw/zinc/54/24/50/533542450.db2.gz MFSARDJXZZVOOK-XQQFMLRXSA-N 2 2 289.448 3.130 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000449046697 533655432 /nfs/dbraw/zinc/65/54/32/533655432.db2.gz LTROENOJOKLCRH-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000449046697 533655439 /nfs/dbraw/zinc/65/54/39/533655439.db2.gz LTROENOJOKLCRH-NVXWUHKLSA-N 2 2 299.418 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389314617 542608530 /nfs/dbraw/zinc/60/85/30/542608530.db2.gz GKYFWWMCRHGDNK-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389314617 542608535 /nfs/dbraw/zinc/60/85/35/542608535.db2.gz GKYFWWMCRHGDNK-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389583600 542608813 /nfs/dbraw/zinc/60/88/13/542608813.db2.gz YNPSCYUCFZAIPU-CGZBRXJRSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389583600 542608818 /nfs/dbraw/zinc/60/88/18/542608818.db2.gz YNPSCYUCFZAIPU-CGZBRXJRSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389290465 542609142 /nfs/dbraw/zinc/60/91/42/542609142.db2.gz XISGELVMDKWKQW-SLTAFYQDSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389290465 542609145 /nfs/dbraw/zinc/60/91/45/542609145.db2.gz XISGELVMDKWKQW-SLTAFYQDSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000390706420 542611130 /nfs/dbraw/zinc/61/11/30/542611130.db2.gz QPCGLQHOVCGIFO-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000390706420 542611136 /nfs/dbraw/zinc/61/11/36/542611136.db2.gz QPCGLQHOVCGIFO-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccs2)C1 ZINC000393951081 542613700 /nfs/dbraw/zinc/61/37/00/542613700.db2.gz PPAJMFRSTAKMAA-CHWSQXEVSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccs2)C1 ZINC000393951081 542613705 /nfs/dbraw/zinc/61/37/05/542613705.db2.gz PPAJMFRSTAKMAA-CHWSQXEVSA-N 2 2 252.427 3.273 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000403527704 542624020 /nfs/dbraw/zinc/62/40/20/542624020.db2.gz NDGYSHFJVDYXEN-NRKLIOEPSA-N 2 2 262.441 3.029 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000403527704 542624025 /nfs/dbraw/zinc/62/40/25/542624025.db2.gz NDGYSHFJVDYXEN-NRKLIOEPSA-N 2 2 262.441 3.029 20 0 CGADLP Cc1ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)[nH+]c1 ZINC000191517851 130248443 /nfs/dbraw/zinc/24/84/43/130248443.db2.gz CLUDEDGAADYTIX-UHFFFAOYSA-N 2 2 270.380 3.242 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000049592547 392054852 /nfs/dbraw/zinc/05/48/52/392054852.db2.gz SINRXSQFSLRZDW-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000049592547 392054856 /nfs/dbraw/zinc/05/48/56/392054856.db2.gz SINRXSQFSLRZDW-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000223512361 130795361 /nfs/dbraw/zinc/79/53/61/130795361.db2.gz SUPBWHTWTUXUPY-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000093978089 392240534 /nfs/dbraw/zinc/24/05/34/392240534.db2.gz RBMLALXIDFDJKQ-RWMBFGLXSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000093978089 392240541 /nfs/dbraw/zinc/24/05/41/392240541.db2.gz RBMLALXIDFDJKQ-RWMBFGLXSA-N 2 2 266.816 3.473 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)C1 ZINC000361706570 392300735 /nfs/dbraw/zinc/30/07/35/392300735.db2.gz RFZCHZRNLKDUFS-ZDUSSCGKSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)C1 ZINC000361706570 392300740 /nfs/dbraw/zinc/30/07/40/392300740.db2.gz RFZCHZRNLKDUFS-ZDUSSCGKSA-N 2 2 255.365 3.023 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361812988 392331626 /nfs/dbraw/zinc/33/16/26/392331626.db2.gz NTVPVLLYQSZNEA-FZMZJTMJSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361812988 392331629 /nfs/dbraw/zinc/33/16/29/392331629.db2.gz NTVPVLLYQSZNEA-FZMZJTMJSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000251438211 131129371 /nfs/dbraw/zinc/12/93/71/131129371.db2.gz AFRSEUPLKNTLIB-YUTCNCBUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000251438211 131129373 /nfs/dbraw/zinc/12/93/73/131129373.db2.gz AFRSEUPLKNTLIB-YUTCNCBUSA-N 2 2 280.362 3.242 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000459665650 542695655 /nfs/dbraw/zinc/69/56/55/542695655.db2.gz QWECYWRJKCFSTI-CQSZACIVSA-N 2 2 251.418 3.159 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000289546135 392425290 /nfs/dbraw/zinc/42/52/90/392425290.db2.gz FYGLIDRHRNAXEO-UHFFFAOYSA-N 2 2 298.430 3.340 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085891 392486395 /nfs/dbraw/zinc/48/63/95/392486395.db2.gz NMVDDLUWYFHLON-QAPCUYQASA-N 2 2 296.418 3.279 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085891 392486404 /nfs/dbraw/zinc/48/64/04/392486404.db2.gz NMVDDLUWYFHLON-QAPCUYQASA-N 2 2 296.418 3.279 20 0 CGADLP C(=C/[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000371637941 392541809 /nfs/dbraw/zinc/54/18/09/392541809.db2.gz MYTMQCWXAREHSM-IJDCCNJMSA-N 2 2 267.376 3.061 20 0 CGADLP C(=C/[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000371637941 392541811 /nfs/dbraw/zinc/54/18/11/392541811.db2.gz MYTMQCWXAREHSM-IJDCCNJMSA-N 2 2 267.376 3.061 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042321 392498150 /nfs/dbraw/zinc/49/81/50/392498150.db2.gz APFGGPGXYZHEQF-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042321 392498156 /nfs/dbraw/zinc/49/81/56/392498156.db2.gz APFGGPGXYZHEQF-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042321 392498160 /nfs/dbraw/zinc/49/81/60/392498160.db2.gz APFGGPGXYZHEQF-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292042321 392498165 /nfs/dbraw/zinc/49/81/65/392498165.db2.gz APFGGPGXYZHEQF-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301065404 392584535 /nfs/dbraw/zinc/58/45/35/392584535.db2.gz BVOAXYJEVABQRR-CYBMUJFWSA-N 2 2 264.417 3.051 20 0 CGADLP CC(C)CSCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372132854 392586112 /nfs/dbraw/zinc/58/61/12/392586112.db2.gz YTCSIBYWYLQKQO-UHFFFAOYSA-N 2 2 281.469 3.368 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CCC([NH+](C)C)CC1 ZINC000301539357 392595561 /nfs/dbraw/zinc/59/55/61/392595561.db2.gz BRKUNQLVHUPOKM-UHFFFAOYSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000164847917 392607260 /nfs/dbraw/zinc/60/72/60/392607260.db2.gz BXDLNXPAMILWNR-HRCADAONSA-N 2 2 259.397 3.113 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCC2 ZINC000647284213 392635069 /nfs/dbraw/zinc/63/50/69/392635069.db2.gz HPDPSFXTGVXCLQ-YOEHRIQHSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000647284213 392635081 /nfs/dbraw/zinc/63/50/81/392635081.db2.gz HPDPSFXTGVXCLQ-YOEHRIQHSA-N 2 2 290.476 3.470 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554036 392767246 /nfs/dbraw/zinc/76/72/46/392767246.db2.gz PKYRFVHQGQKFQZ-ZDUSSCGKSA-N 2 2 293.480 3.205 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000506662651 392730612 /nfs/dbraw/zinc/73/06/12/392730612.db2.gz SUABHONGOMWXEE-PLNGDYQASA-N 2 2 276.399 3.255 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000506662651 392730619 /nfs/dbraw/zinc/73/06/19/392730619.db2.gz SUABHONGOMWXEE-PLNGDYQASA-N 2 2 276.399 3.255 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000647513182 392746489 /nfs/dbraw/zinc/74/64/89/392746489.db2.gz IJUCRHZYVBJYQY-CQSZACIVSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000647513182 392746492 /nfs/dbraw/zinc/74/64/92/392746492.db2.gz IJUCRHZYVBJYQY-CQSZACIVSA-N 2 2 287.234 3.425 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC000647533225 392754393 /nfs/dbraw/zinc/75/43/93/392754393.db2.gz NJZCBKBRWKOUHX-KSSFIOAISA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC000647533225 392754399 /nfs/dbraw/zinc/75/43/99/392754399.db2.gz NJZCBKBRWKOUHX-KSSFIOAISA-N 2 2 296.414 3.032 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375265800 392755582 /nfs/dbraw/zinc/75/55/82/392755582.db2.gz CMJPEDXTSASODD-HIFRSBDPSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534446 392755618 /nfs/dbraw/zinc/75/56/18/392755618.db2.gz NMEOUPVWMFEROO-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647534446 392755623 /nfs/dbraw/zinc/75/56/23/392755623.db2.gz NMEOUPVWMFEROO-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000647540334 392758252 /nfs/dbraw/zinc/75/82/52/392758252.db2.gz KTBCLVPCFJFZAH-XLAORIBOSA-N 2 2 290.426 3.129 20 0 CGADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000647540334 392758258 /nfs/dbraw/zinc/75/82/58/392758258.db2.gz KTBCLVPCFJFZAH-XLAORIBOSA-N 2 2 290.426 3.129 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647364240 392707698 /nfs/dbraw/zinc/70/76/98/392707698.db2.gz WEGGOUCBWVHJPP-OAHLLOKOSA-N 2 2 294.402 3.239 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553632 392767022 /nfs/dbraw/zinc/76/70/22/392767022.db2.gz FQHHTMWWYSTGJE-CQSZACIVSA-N 2 2 298.352 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588894 392841318 /nfs/dbraw/zinc/84/13/18/392841318.db2.gz SVBAQFPOAZSHEJ-UZLBHIALSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588894 392841322 /nfs/dbraw/zinc/84/13/22/392841322.db2.gz SVBAQFPOAZSHEJ-UZLBHIALSA-N 2 2 294.442 3.358 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000335764595 392816213 /nfs/dbraw/zinc/81/62/13/392816213.db2.gz RNVNGDCMNZFCMW-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000335764595 392816215 /nfs/dbraw/zinc/81/62/15/392816215.db2.gz RNVNGDCMNZFCMW-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000515642698 392861232 /nfs/dbraw/zinc/86/12/32/392861232.db2.gz NGGSRYCLJATORR-UHFFFAOYSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000515642698 392861242 /nfs/dbraw/zinc/86/12/42/392861242.db2.gz NGGSRYCLJATORR-UHFFFAOYSA-N 2 2 298.430 3.206 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382048842 392916719 /nfs/dbraw/zinc/91/67/19/392916719.db2.gz FKECTENMUOONAV-HRMROMONSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000519615400 392874263 /nfs/dbraw/zinc/87/42/63/392874263.db2.gz ZWDINOXZXSOTIY-HIFRSBDPSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000519615400 392874266 /nfs/dbraw/zinc/87/42/66/392874266.db2.gz ZWDINOXZXSOTIY-HIFRSBDPSA-N 2 2 299.418 3.067 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000376402547 392877838 /nfs/dbraw/zinc/87/78/38/392877838.db2.gz USWQWELJDTVKQA-AOCRQIFASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337256736 392878616 /nfs/dbraw/zinc/87/86/16/392878616.db2.gz NMDHGXJAEOZOMZ-GFIVTLFCSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337256736 392878621 /nfs/dbraw/zinc/87/86/21/392878621.db2.gz NMDHGXJAEOZOMZ-GFIVTLFCSA-N 2 2 299.462 3.180 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513756374 542732641 /nfs/dbraw/zinc/73/26/41/542732641.db2.gz XHTYNGPCWGORPQ-OKZBNKHCSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513756374 542732644 /nfs/dbraw/zinc/73/26/44/542732644.db2.gz XHTYNGPCWGORPQ-OKZBNKHCSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000514082824 542734200 /nfs/dbraw/zinc/73/42/00/542734200.db2.gz ISSAUZZYMXEGIU-HOTGVXAUSA-N 2 2 296.524 3.372 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000400710773 392947257 /nfs/dbraw/zinc/94/72/57/392947257.db2.gz MCPZKJBWEDIHPZ-MJVIPROJSA-N 2 2 252.427 3.156 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000551306223 542755153 /nfs/dbraw/zinc/75/51/53/542755153.db2.gz HOUJLNVMLDHHHT-YYIAUSFCSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@@H]1c1ccccc1 ZINC000551306223 542755156 /nfs/dbraw/zinc/75/51/56/542755156.db2.gz HOUJLNVMLDHHHT-YYIAUSFCSA-N 2 2 276.399 3.302 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000648461058 393031972 /nfs/dbraw/zinc/03/19/72/393031972.db2.gz CQCFKGMRVNOPRL-QILLFSRXSA-N 2 2 299.418 3.481 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000648432512 393014154 /nfs/dbraw/zinc/01/41/54/393014154.db2.gz REPOBBZFWOANLD-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000648432512 393014160 /nfs/dbraw/zinc/01/41/60/393014160.db2.gz REPOBBZFWOANLD-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000546077852 393029833 /nfs/dbraw/zinc/02/98/33/393029833.db2.gz SIBWFMDNIXZMQJ-IUODEOHRSA-N 2 2 285.391 3.154 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)CCC2 ZINC000346429065 393087444 /nfs/dbraw/zinc/08/74/44/393087444.db2.gz FUGMFTANGMXBHN-CMPLNLGQSA-N 2 2 289.345 3.390 20 0 CGADLP CC1CC([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000467746055 393108783 /nfs/dbraw/zinc/10/87/83/393108783.db2.gz ZXKPZQRIGOTINT-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP CC1CC([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000467746055 393108794 /nfs/dbraw/zinc/10/87/94/393108794.db2.gz ZXKPZQRIGOTINT-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000547268921 393101400 /nfs/dbraw/zinc/10/14/00/393101400.db2.gz SXBUHFRUUMCHIJ-HZPDHXFCSA-N 2 2 250.430 3.197 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000547268921 393101405 /nfs/dbraw/zinc/10/14/05/393101405.db2.gz SXBUHFRUUMCHIJ-HZPDHXFCSA-N 2 2 250.430 3.197 20 0 CGADLP Fc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000414098336 393039193 /nfs/dbraw/zinc/03/91/93/393039193.db2.gz OPRKZCHBQSPIOI-UHFFFAOYSA-N 2 2 274.383 3.031 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000415035651 393106194 /nfs/dbraw/zinc/10/61/94/393106194.db2.gz DZENVCMTMYWYTR-UONOGXRCSA-N 2 2 292.835 3.247 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414954852 393063144 /nfs/dbraw/zinc/06/31/44/393063144.db2.gz NMOCTFMBIVAYTG-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414982169 393079275 /nfs/dbraw/zinc/07/92/75/393079275.db2.gz YOJNHCDCMDRCAW-CYBMUJFWSA-N 2 2 287.234 3.471 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000415046746 393111147 /nfs/dbraw/zinc/11/11/47/393111147.db2.gz VINLPCXTWHHTOS-LBPRGKRZSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)s1 ZINC000415051156 393114188 /nfs/dbraw/zinc/11/41/88/393114188.db2.gz ZPPGNQHNIRYLJA-GFCCVEGCSA-N 2 2 266.454 3.276 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000415071147 393128460 /nfs/dbraw/zinc/12/84/60/393128460.db2.gz VZMYBYIAFUYGQU-CYBMUJFWSA-N 2 2 281.469 3.048 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000415071589 393128518 /nfs/dbraw/zinc/12/85/18/393128518.db2.gz WQODDEUYFZJMBA-QGZVFWFLSA-N 2 2 290.357 3.317 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1C1CC1 ZINC000415085873 393138227 /nfs/dbraw/zinc/13/82/27/393138227.db2.gz TYTHREHRGCHXRJ-MELADBBJSA-N 2 2 291.464 3.031 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415086094 393138536 /nfs/dbraw/zinc/13/85/36/393138536.db2.gz UENIDTRENJLRKP-VXGBXAGGSA-N 2 2 281.469 3.233 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261541458 393141636 /nfs/dbraw/zinc/14/16/36/393141636.db2.gz FYSCMWVMRFTFNC-KXBFYZLASA-N 2 2 296.414 3.187 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261541458 393141640 /nfs/dbraw/zinc/14/16/40/393141640.db2.gz FYSCMWVMRFTFNC-KXBFYZLASA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000415128892 393152724 /nfs/dbraw/zinc/15/27/24/393152724.db2.gz OOWWZIWXPFBNSP-RKDXNWHRSA-N 2 2 293.263 3.472 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000415128892 393152728 /nfs/dbraw/zinc/15/27/28/393152728.db2.gz OOWWZIWXPFBNSP-RKDXNWHRSA-N 2 2 293.263 3.472 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000415135201 393156374 /nfs/dbraw/zinc/15/63/74/393156374.db2.gz PWPORJIMXCDTAP-UHFFFAOYSA-N 2 2 298.430 3.307 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000415135201 393156378 /nfs/dbraw/zinc/15/63/78/393156378.db2.gz PWPORJIMXCDTAP-UHFFFAOYSA-N 2 2 298.430 3.307 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CCC2 ZINC000350082095 393156800 /nfs/dbraw/zinc/15/68/00/393156800.db2.gz ULCWTFPRIAFTAJ-VHDGCEQUSA-N 2 2 261.413 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352612 393349193 /nfs/dbraw/zinc/34/91/93/393349193.db2.gz VMOYBUGFLGEZTK-ZDEQEGDKSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352612 393349200 /nfs/dbraw/zinc/34/92/00/393349200.db2.gz VMOYBUGFLGEZTK-ZDEQEGDKSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[NH+](C)C ZINC000474866713 393352856 /nfs/dbraw/zinc/35/28/56/393352856.db2.gz FJJBUHWZSHWAHO-WISYIIOYSA-N 2 2 286.872 3.433 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000647171594 393366464 /nfs/dbraw/zinc/36/64/64/393366464.db2.gz OXWRPPGTHNWCSA-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000647171594 393366468 /nfs/dbraw/zinc/36/64/68/393366468.db2.gz OXWRPPGTHNWCSA-STQMWFEESA-N 2 2 274.399 3.274 20 0 CGADLP Cc1cccn2cc(CC[NH2+]C3CCC(F)(F)CC3)[nH+]c12 ZINC000647188874 393375950 /nfs/dbraw/zinc/37/59/50/393375950.db2.gz PLGMQCVLYOLWJH-UHFFFAOYSA-N 2 2 293.361 3.353 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000356330675 393421215 /nfs/dbraw/zinc/42/12/15/393421215.db2.gz CLPUWHGXVCBWFB-NSHDSACASA-N 2 2 293.461 3.193 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000356330675 393421220 /nfs/dbraw/zinc/42/12/20/393421220.db2.gz CLPUWHGXVCBWFB-NSHDSACASA-N 2 2 293.461 3.193 20 0 CGADLP CC(C)c1nc(N(C)C2CC[NH2+]CC2)cc(C(C)(C)C)[nH+]1 ZINC000420138095 393431694 /nfs/dbraw/zinc/43/16/94/393431694.db2.gz MJMCCTAHERKMRW-UHFFFAOYSA-N 2 2 290.455 3.086 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421614 393432834 /nfs/dbraw/zinc/43/28/34/393432834.db2.gz NMLCVMOYPFVEOK-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421614 393432835 /nfs/dbraw/zinc/43/28/35/393432835.db2.gz NMLCVMOYPFVEOK-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](C)[NH3+] ZINC000420293725 393451774 /nfs/dbraw/zinc/45/17/74/393451774.db2.gz AEWXWUKILBXSPT-FZMZJTMJSA-N 2 2 254.805 3.316 20 0 CGADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](C)[NH3+] ZINC000420293725 393451777 /nfs/dbraw/zinc/45/17/77/393451777.db2.gz AEWXWUKILBXSPT-FZMZJTMJSA-N 2 2 254.805 3.316 20 0 CGADLP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000420303065 393457428 /nfs/dbraw/zinc/45/74/28/393457428.db2.gz NAQCNAVDLMFIFK-CJNGLKHVSA-N 2 2 266.404 3.062 20 0 CGADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000420303065 393457433 /nfs/dbraw/zinc/45/74/33/393457433.db2.gz NAQCNAVDLMFIFK-CJNGLKHVSA-N 2 2 266.404 3.062 20 0 CGADLP CSc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420319188 393463970 /nfs/dbraw/zinc/46/39/70/393463970.db2.gz RHKPYTCMVJXGOT-DLBZAZTESA-N 2 2 298.455 3.335 20 0 CGADLP CSc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420319188 393463974 /nfs/dbraw/zinc/46/39/74/393463974.db2.gz RHKPYTCMVJXGOT-DLBZAZTESA-N 2 2 298.455 3.335 20 0 CGADLP C[N@H+](CCOc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000420336576 393469969 /nfs/dbraw/zinc/46/99/69/393469969.db2.gz VWZZJSVSJGJVGV-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[N@@H+](CCOc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000420336576 393469977 /nfs/dbraw/zinc/46/99/77/393469977.db2.gz VWZZJSVSJGJVGV-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP COC1(C[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000429525155 393473916 /nfs/dbraw/zinc/47/39/16/393473916.db2.gz AHXRJVFEBJWKPO-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3)c[nH+]c12 ZINC000647248153 393411337 /nfs/dbraw/zinc/41/13/37/393411337.db2.gz AZOZSEALKAJAPX-OTVXOJSOSA-N 2 2 287.407 3.078 20 0 CGADLP CC[N@H+](C[C@H]1C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357617 393496253 /nfs/dbraw/zinc/49/62/53/393496253.db2.gz VWGRBLUXUYUXIM-DOTOQJQBSA-N 2 2 287.451 3.276 20 0 CGADLP CC[N@@H+](C[C@H]1C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357617 393496262 /nfs/dbraw/zinc/49/62/62/393496262.db2.gz VWGRBLUXUYUXIM-DOTOQJQBSA-N 2 2 287.451 3.276 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000649576503 393496971 /nfs/dbraw/zinc/49/69/71/393496971.db2.gz BCRPHRYGTCAUQM-MAUKXSAKSA-N 2 2 287.451 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000649576503 393496975 /nfs/dbraw/zinc/49/69/75/393496975.db2.gz BCRPHRYGTCAUQM-MAUKXSAKSA-N 2 2 287.451 3.032 20 0 CGADLP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971154 393503878 /nfs/dbraw/zinc/50/38/78/393503878.db2.gz SZMBGQSBUHWNHW-FGTMMUONSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971154 393503881 /nfs/dbraw/zinc/50/38/81/393503881.db2.gz SZMBGQSBUHWNHW-FGTMMUONSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)C1CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000488424445 393507539 /nfs/dbraw/zinc/50/75/39/393507539.db2.gz OKBADSOMTWBIHI-UHFFFAOYSA-N 2 2 296.524 3.372 20 0 CGADLP CC(C)Oc1cc[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c1 ZINC000649620247 393516390 /nfs/dbraw/zinc/51/63/90/393516390.db2.gz SZOHOWJNUXFHEN-KGLIPLIRSA-N 2 2 299.418 3.484 20 0 CGADLP CC(C)C1CC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000488449667 393518558 /nfs/dbraw/zinc/51/85/58/393518558.db2.gz PZXOSJZFWRDBNX-UHFFFAOYSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000420924039 393545789 /nfs/dbraw/zinc/54/57/89/393545789.db2.gz JENWLHUAASLXNO-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000420924039 393545793 /nfs/dbraw/zinc/54/57/93/393545793.db2.gz JENWLHUAASLXNO-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000488495249 393528432 /nfs/dbraw/zinc/52/84/32/393528432.db2.gz BZYRDTGDXHYXGO-XHBSWPGZSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000488495249 393528433 /nfs/dbraw/zinc/52/84/33/393528433.db2.gz BZYRDTGDXHYXGO-XHBSWPGZSA-N 2 2 278.827 3.473 20 0 CGADLP Cc1cn2c([nH+]1)CN(c1cc(C)[nH+]c3ccc(F)cc31)CC2 ZINC000359991990 393558205 /nfs/dbraw/zinc/55/82/05/393558205.db2.gz GGCSBMBCPCXQOC-UHFFFAOYSA-N 2 2 296.349 3.207 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000666768547 542814846 /nfs/dbraw/zinc/81/48/46/542814846.db2.gz JVFNPMQBDYRDPG-HNNXBMFYSA-N 2 2 284.403 3.080 20 0 CGADLP Clc1cc2cccnc2c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666769178 542814913 /nfs/dbraw/zinc/81/49/13/542814913.db2.gz URIAXGAXHZJOAH-OAHLLOKOSA-N 2 2 289.810 3.120 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000360779618 393587449 /nfs/dbraw/zinc/58/74/49/393587449.db2.gz BDMOTPYIXJHQMY-YRBFXIGRSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000360779618 393587451 /nfs/dbraw/zinc/58/74/51/393587451.db2.gz BDMOTPYIXJHQMY-YRBFXIGRSA-N 2 2 290.426 3.392 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000432789446 393639367 /nfs/dbraw/zinc/63/93/67/393639367.db2.gz SACDDPBWMITXDW-WMHVBEDNSA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000432789446 393639368 /nfs/dbraw/zinc/63/93/68/393639368.db2.gz SACDDPBWMITXDW-WMHVBEDNSA-N 2 2 294.389 3.394 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@H]1CCC[NH2+]1 ZINC000422846566 393644024 /nfs/dbraw/zinc/64/40/24/393644024.db2.gz QCYYUCXGHZOXEI-GDLCADMTSA-N 2 2 280.412 3.093 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917208 393645802 /nfs/dbraw/zinc/64/58/02/393645802.db2.gz FNZDPOBWNLXIRW-COLVAYQJSA-N 2 2 268.351 3.146 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423024841 393648855 /nfs/dbraw/zinc/64/88/55/393648855.db2.gz MUMPPUYGPONXEG-WBVHZDCISA-N 2 2 258.409 3.139 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000423147736 393651808 /nfs/dbraw/zinc/65/18/08/393651808.db2.gz SRFOFPVHAKTWDB-ZLIFDBKOSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423194319 393653083 /nfs/dbraw/zinc/65/30/83/393653083.db2.gz RFFKDUACEJGKEG-NQBHXWOUSA-N 2 2 250.411 3.028 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423395416 393665079 /nfs/dbraw/zinc/66/50/79/393665079.db2.gz SUPHJRWZQRKHIS-SCRDCRAPSA-N 2 2 264.438 3.200 20 0 CGADLP c1cn(CCCC2CC[NH+]([C@H]3C=CCCC3)CC2)c[nH+]1 ZINC000361074447 393666346 /nfs/dbraw/zinc/66/63/46/393666346.db2.gz QLBAMBGNHUASGQ-KRWDZBQOSA-N 2 2 273.424 3.484 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423463513 393669380 /nfs/dbraw/zinc/66/93/80/393669380.db2.gz LHCCMJXRHSZFFA-BXUZGUMPSA-N 2 2 282.815 3.189 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccsc1 ZINC000443106088 393745157 /nfs/dbraw/zinc/74/51/57/393745157.db2.gz VPAGEPHRFCYMMF-ZBFHGGJFSA-N 2 2 296.480 3.290 20 0 CGADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000433149409 393690492 /nfs/dbraw/zinc/69/04/92/393690492.db2.gz DDOXYTNJOVWCHE-MRXNPFEDSA-N 2 2 299.374 3.043 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386168 393694712 /nfs/dbraw/zinc/69/47/12/393694712.db2.gz STIUGIUKNYBVCO-YOEHRIQHSA-N 2 2 298.434 3.069 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386168 393694719 /nfs/dbraw/zinc/69/47/19/393694719.db2.gz STIUGIUKNYBVCO-YOEHRIQHSA-N 2 2 298.434 3.069 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668160 393772780 /nfs/dbraw/zinc/77/27/80/393772780.db2.gz BQMLBYRHPTZYQC-WWGRRREGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668160 393772783 /nfs/dbraw/zinc/77/27/83/393772783.db2.gz BQMLBYRHPTZYQC-WWGRRREGSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000494696534 393776379 /nfs/dbraw/zinc/77/63/79/393776379.db2.gz JABOWXDQVPCGIN-XOKHGSTOSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000494696534 393776381 /nfs/dbraw/zinc/77/63/81/393776381.db2.gz JABOWXDQVPCGIN-XOKHGSTOSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(O)c1 ZINC000444009135 393782883 /nfs/dbraw/zinc/78/28/83/393782883.db2.gz KZKSRGZRTVJSIX-LBPRGKRZSA-N 2 2 299.399 3.490 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSC[C@H]2C2CC2)c[nH+]1 ZINC000449528372 393884481 /nfs/dbraw/zinc/88/44/81/393884481.db2.gz OZCGRVSOSDUEOJ-INIZCTEOSA-N 2 2 276.449 3.150 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSC[C@H]2C2CC2)c[nH+]1 ZINC000449528372 393884482 /nfs/dbraw/zinc/88/44/82/393884482.db2.gz OZCGRVSOSDUEOJ-INIZCTEOSA-N 2 2 276.449 3.150 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000449669381 393937317 /nfs/dbraw/zinc/93/73/17/393937317.db2.gz MKAHOZDYVUDZTD-HNNXBMFYSA-N 2 2 257.381 3.393 20 0 CGADLP Clc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000450586757 394025014 /nfs/dbraw/zinc/02/50/14/394025014.db2.gz YQJRKKHQEDYQCU-UHFFFAOYSA-N 2 2 289.810 3.485 20 0 CGADLP C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C[C@H]1n1cc[nH+]c1 ZINC000450596302 394027083 /nfs/dbraw/zinc/02/70/83/394027083.db2.gz SRSIGOJDYPKMSU-ORBLRFAASA-N 2 2 273.424 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C[C@H]1n1cc[nH+]c1 ZINC000450596302 394027087 /nfs/dbraw/zinc/02/70/87/394027087.db2.gz SRSIGOJDYPKMSU-ORBLRFAASA-N 2 2 273.424 3.346 20 0 CGADLP CC(C)[N@H+](Cc1ccco1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667497163 542877555 /nfs/dbraw/zinc/87/75/55/542877555.db2.gz VXTNGWVEQRCSJY-UHFFFAOYSA-N 2 2 296.374 3.271 20 0 CGADLP CC(C)[N@@H+](Cc1ccco1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667497163 542877560 /nfs/dbraw/zinc/87/75/60/542877560.db2.gz VXTNGWVEQRCSJY-UHFFFAOYSA-N 2 2 296.374 3.271 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1F ZINC000453255896 394222937 /nfs/dbraw/zinc/22/29/37/394222937.db2.gz LKUFHZDPURHQIG-AHIWAGSCSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1F ZINC000453255896 394222940 /nfs/dbraw/zinc/22/29/40/394222940.db2.gz LKUFHZDPURHQIG-AHIWAGSCSA-N 2 2 276.399 3.267 20 0 CGADLP CCC(C)(C)OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000453610784 394257591 /nfs/dbraw/zinc/25/75/91/394257591.db2.gz GFEYAWAWPSZPGH-UHFFFAOYSA-N 2 2 293.436 3.229 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)n1C ZINC000667494610 542877535 /nfs/dbraw/zinc/87/75/35/542877535.db2.gz FCDWIYJFWFNPED-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453615542 394259995 /nfs/dbraw/zinc/25/99/95/394259995.db2.gz FUTSOQFAGFXBTP-XJKSGUPXSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccccc2F)n1C ZINC000667497510 542877715 /nfs/dbraw/zinc/87/77/15/542877715.db2.gz DXLIIQWUASGWKI-LLVKDONJSA-N 2 2 261.344 3.061 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccccc2F)n1C ZINC000667497510 542877719 /nfs/dbraw/zinc/87/77/19/542877719.db2.gz DXLIIQWUASGWKI-LLVKDONJSA-N 2 2 261.344 3.061 20 0 CGADLP FC1(F)CC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000453423387 394242806 /nfs/dbraw/zinc/24/28/06/394242806.db2.gz NAYCFRQQWGDTIK-UHFFFAOYSA-N 2 2 295.377 3.075 20 0 CGADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453615541 394259730 /nfs/dbraw/zinc/25/97/30/394259730.db2.gz FUTSOQFAGFXBTP-CZUORRHYSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)n1C ZINC000667494610 542877538 /nfs/dbraw/zinc/87/75/38/542877538.db2.gz FCDWIYJFWFNPED-QGZVFWFLSA-N 2 2 269.392 3.374 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000453623555 394260716 /nfs/dbraw/zinc/26/07/16/394260716.db2.gz OWMNNOKGPNHNOI-MRXNPFEDSA-N 2 2 255.365 3.003 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000667516108 542883540 /nfs/dbraw/zinc/88/35/40/542883540.db2.gz VQDGEQNVNNIINB-ZDUSSCGKSA-N 2 2 287.407 3.320 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1cccc(OC)c1 ZINC000667516108 542883541 /nfs/dbraw/zinc/88/35/41/542883541.db2.gz VQDGEQNVNNIINB-ZDUSSCGKSA-N 2 2 287.407 3.320 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(C)(c3ccccc3)CC2)n1C ZINC000667602271 542897034 /nfs/dbraw/zinc/89/70/34/542897034.db2.gz YANSSVBLICBJHZ-UHFFFAOYSA-N 2 2 283.419 3.282 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)n1C ZINC000667643705 542903950 /nfs/dbraw/zinc/90/39/50/542903950.db2.gz NHAVQKXUISGLOD-UHFFFAOYSA-N 2 2 269.392 3.022 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)n1C ZINC000667643705 542903951 /nfs/dbraw/zinc/90/39/51/542903951.db2.gz NHAVQKXUISGLOD-UHFFFAOYSA-N 2 2 269.392 3.022 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)n1C ZINC000667672090 542913522 /nfs/dbraw/zinc/91/35/22/542913522.db2.gz JXFYTLXYJMXGLI-SUMWQHHRSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913137 542944417 /nfs/dbraw/zinc/94/44/17/542944417.db2.gz ZETZREHKHSZFQT-QNDJGXFYSA-N 2 2 299.462 3.385 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1C ZINC000668079650 542966566 /nfs/dbraw/zinc/96/65/66/542966566.db2.gz NDHMTIQHBMLZJV-RHSMWYFYSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)n1C ZINC000668079650 542966568 /nfs/dbraw/zinc/96/65/68/542966568.db2.gz NDHMTIQHBMLZJV-RHSMWYFYSA-N 2 2 283.419 3.415 20 0 CGADLP C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098805 542969375 /nfs/dbraw/zinc/96/93/75/542969375.db2.gz RWHWIRXUGYZZDV-GOSISDBHSA-N 2 2 299.393 3.132 20 0 CGADLP C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098805 542969378 /nfs/dbraw/zinc/96/93/78/542969378.db2.gz RWHWIRXUGYZZDV-GOSISDBHSA-N 2 2 299.393 3.132 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCCC2 ZINC000668228957 542994315 /nfs/dbraw/zinc/99/43/15/542994315.db2.gz VJVVBASTAXWPDE-INIZCTEOSA-N 2 2 273.424 3.230 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCCC2 ZINC000668228957 542994318 /nfs/dbraw/zinc/99/43/18/542994318.db2.gz VJVVBASTAXWPDE-INIZCTEOSA-N 2 2 273.424 3.230 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000668479298 543018519 /nfs/dbraw/zinc/01/85/19/543018519.db2.gz NYCUUXNXYSVIAW-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000668479298 543018523 /nfs/dbraw/zinc/01/85/23/543018523.db2.gz NYCUUXNXYSVIAW-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP CC(C)C[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539379 543024937 /nfs/dbraw/zinc/02/49/37/543024937.db2.gz UJUNTEFNTLIRJB-GOSISDBHSA-N 2 2 274.452 3.310 20 0 CGADLP CC(C)C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539379 543024940 /nfs/dbraw/zinc/02/49/40/543024940.db2.gz UJUNTEFNTLIRJB-GOSISDBHSA-N 2 2 274.452 3.310 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000668579988 543029753 /nfs/dbraw/zinc/02/97/53/543029753.db2.gz ILWQUSKMMAPEEU-IKGGRYGDSA-N 2 2 258.409 3.348 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672604108 543219236 /nfs/dbraw/zinc/21/92/36/543219236.db2.gz QUCJOFZTFVWODU-HYVNUMGLSA-N 2 2 283.419 3.482 20 0 CGADLP FC1(F)CCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000673618014 543247533 /nfs/dbraw/zinc/24/75/33/543247533.db2.gz OUOSEUWIYKYPJP-LBPRGKRZSA-N 2 2 283.347 3.211 20 0 CGADLP Cc1cc(C)cc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000674372887 543283654 /nfs/dbraw/zinc/28/36/54/543283654.db2.gz DVYFDGIHQUBPQO-UHFFFAOYSA-N 2 2 299.418 3.285 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000650743093 397905148 /nfs/dbraw/zinc/90/51/48/397905148.db2.gz LWVBGFKZKKIQLB-CQDKDKBSSA-N 2 2 250.361 3.007 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766613 543362087 /nfs/dbraw/zinc/36/20/87/543362087.db2.gz MJMHZUSOLIIFGS-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766613 543362089 /nfs/dbraw/zinc/36/20/89/543362089.db2.gz MJMHZUSOLIIFGS-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000675766848 543362267 /nfs/dbraw/zinc/36/22/67/543362267.db2.gz PUQDNEJDQBFPAW-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000675766848 543362269 /nfs/dbraw/zinc/36/22/69/543362269.db2.gz PUQDNEJDQBFPAW-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000675768485 543362957 /nfs/dbraw/zinc/36/29/57/543362957.db2.gz YPDSUHZSKVNSQO-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000675768485 543362958 /nfs/dbraw/zinc/36/29/58/543362958.db2.gz YPDSUHZSKVNSQO-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724392 543357917 /nfs/dbraw/zinc/35/79/17/543357917.db2.gz PPLGKIXXBNHWSV-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724392 543357919 /nfs/dbraw/zinc/35/79/19/543357919.db2.gz PPLGKIXXBNHWSV-UHIISALHSA-N 2 2 286.341 3.306 20 0 CGADLP CC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920901 543373812 /nfs/dbraw/zinc/37/38/12/543373812.db2.gz LCCGPLFOFHVHCW-ZFWWWQNUSA-N 2 2 257.381 3.092 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000677240247 543441314 /nfs/dbraw/zinc/44/13/14/543441314.db2.gz DTFKOGYJFDLQKY-PKOBYXMFSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000677240247 543441316 /nfs/dbraw/zinc/44/13/16/543441316.db2.gz DTFKOGYJFDLQKY-PKOBYXMFSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1cccn2cc(CCNc3[nH]c4ccccc4[nH+]3)[nH+]c12 ZINC000677807697 543466861 /nfs/dbraw/zinc/46/68/61/543466861.db2.gz ZZUXPSLDAJYEMB-UHFFFAOYSA-N 2 2 291.358 3.174 20 0 CGADLP CC1(C)C[C@H]([NH2+]CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749157 543463109 /nfs/dbraw/zinc/46/31/09/543463109.db2.gz IKCXXCSTHZZPOF-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)C[C@H]([NH2+]CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000677749157 543463111 /nfs/dbraw/zinc/46/31/11/543463111.db2.gz IKCXXCSTHZZPOF-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000678235402 543497968 /nfs/dbraw/zinc/49/79/68/543497968.db2.gz SENJJSQJAXCCNZ-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000678235402 543497971 /nfs/dbraw/zinc/49/79/71/543497971.db2.gz SENJJSQJAXCCNZ-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234240 543498256 /nfs/dbraw/zinc/49/82/56/543498256.db2.gz BDCQPEWKJQFNLW-CVEARBPZSA-N 2 2 297.402 3.086 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234240 543498257 /nfs/dbraw/zinc/49/82/57/543498257.db2.gz BDCQPEWKJQFNLW-CVEARBPZSA-N 2 2 297.402 3.086 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)c[nH+]1 ZINC000678235082 543498278 /nfs/dbraw/zinc/49/82/78/543498278.db2.gz COOJNYQVOANNQE-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)c[nH+]1 ZINC000678235082 543498279 /nfs/dbraw/zinc/49/82/79/543498279.db2.gz COOJNYQVOANNQE-KRWDZBQOSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)c[nH+]1 ZINC000678235084 543498509 /nfs/dbraw/zinc/49/85/09/543498509.db2.gz COOJNYQVOANNQE-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)c[nH+]1 ZINC000678235084 543498511 /nfs/dbraw/zinc/49/85/11/543498511.db2.gz COOJNYQVOANNQE-QGZVFWFLSA-N 2 2 292.386 3.268 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)[nH]1 ZINC000678236276 543499496 /nfs/dbraw/zinc/49/94/96/543499496.db2.gz XLOKWMJUTWYBCV-HNNXBMFYSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)[nH]1 ZINC000678236276 543499497 /nfs/dbraw/zinc/49/94/97/543499497.db2.gz XLOKWMJUTWYBCV-HNNXBMFYSA-N 2 2 280.375 3.202 20 0 CGADLP Fc1ccc(/C=C\C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000678267600 543505970 /nfs/dbraw/zinc/50/59/70/543505970.db2.gz RCEFQAKMFHPKGE-UPHRSURJSA-N 2 2 285.366 3.442 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678302963 543512744 /nfs/dbraw/zinc/51/27/44/543512744.db2.gz PGGUUGWBFXGFFG-MWQQHZPXSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678302963 543512747 /nfs/dbraw/zinc/51/27/47/543512747.db2.gz PGGUUGWBFXGFFG-MWQQHZPXSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678498097 543531607 /nfs/dbraw/zinc/53/16/07/543531607.db2.gz ZVYUBXVQYJFLCA-GOEBONIOSA-N 2 2 271.408 3.340 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000678542028 543533977 /nfs/dbraw/zinc/53/39/77/543533977.db2.gz BLVJRHFEPINLRN-GOEBONIOSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000678542028 543533979 /nfs/dbraw/zinc/53/39/79/543533979.db2.gz BLVJRHFEPINLRN-GOEBONIOSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000678590036 543538524 /nfs/dbraw/zinc/53/85/24/543538524.db2.gz YSNZZMRTDFZZCW-RVKKMQEKSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000678590036 543538526 /nfs/dbraw/zinc/53/85/26/543538526.db2.gz YSNZZMRTDFZZCW-RVKKMQEKSA-N 2 2 284.447 3.006 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000678592432 543539040 /nfs/dbraw/zinc/53/90/40/543539040.db2.gz DFGMCQQAKYFMOF-HOTGVXAUSA-N 2 2 290.476 3.135 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000678592432 543539042 /nfs/dbraw/zinc/53/90/42/543539042.db2.gz DFGMCQQAKYFMOF-HOTGVXAUSA-N 2 2 290.476 3.135 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000678590876 543539437 /nfs/dbraw/zinc/53/94/37/543539437.db2.gz LJUYXPBYMZUAEI-HOTGVXAUSA-N 2 2 292.854 3.487 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000678590876 543539438 /nfs/dbraw/zinc/53/94/38/543539438.db2.gz LJUYXPBYMZUAEI-HOTGVXAUSA-N 2 2 292.854 3.487 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000678597765 543541184 /nfs/dbraw/zinc/54/11/84/543541184.db2.gz LOENXVMRYZNTEE-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000678597765 543541187 /nfs/dbraw/zinc/54/11/87/543541187.db2.gz LOENXVMRYZNTEE-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C2CC2)ccc1F ZINC000678682687 543549036 /nfs/dbraw/zinc/54/90/36/543549036.db2.gz FXSWSPUOGGJXGQ-DOTOQJQBSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C2CC2)ccc1F ZINC000678682687 543549037 /nfs/dbraw/zinc/54/90/37/543549037.db2.gz FXSWSPUOGGJXGQ-DOTOQJQBSA-N 2 2 276.399 3.269 20 0 CGADLP COc1ccc(C)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353647140 286292813 /nfs/dbraw/zinc/29/28/13/286292813.db2.gz GGOMGLQIMDTSOC-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353647140 286292815 /nfs/dbraw/zinc/29/28/15/286292815.db2.gz GGOMGLQIMDTSOC-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000353647140 286292816 /nfs/dbraw/zinc/29/28/16/286292816.db2.gz GGOMGLQIMDTSOC-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc(C)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000353647140 286292818 /nfs/dbraw/zinc/29/28/18/286292818.db2.gz GGOMGLQIMDTSOC-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423362159 286386669 /nfs/dbraw/zinc/38/66/69/286386669.db2.gz MUSIBFQDRWUUES-OAUYIBNBSA-N 2 2 288.435 3.005 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344086283 286388057 /nfs/dbraw/zinc/38/80/57/286388057.db2.gz BOUXGYXWIOSRAX-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344086283 286388059 /nfs/dbraw/zinc/38/80/59/286388059.db2.gz BOUXGYXWIOSRAX-VVLHAWIVSA-N 2 2 294.483 3.044 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340244580 292338984 /nfs/dbraw/zinc/33/89/84/292338984.db2.gz BQFRKNCGYOAYLQ-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340244580 292338985 /nfs/dbraw/zinc/33/89/85/292338985.db2.gz BQFRKNCGYOAYLQ-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329069 292378429 /nfs/dbraw/zinc/37/84/29/292378429.db2.gz YCWHZPXCCLMLCL-VYDXJSESSA-N 2 2 278.440 3.083 20 0 CGADLP CSC1(C[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CCC1 ZINC000356110025 286656934 /nfs/dbraw/zinc/65/69/34/286656934.db2.gz LKZMDRFRQBKCRA-MRXNPFEDSA-N 2 2 292.492 3.035 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C)cc1 ZINC000070143289 165053228 /nfs/dbraw/zinc/05/32/28/165053228.db2.gz KUJAVBSTISMTQO-MRXNPFEDSA-N 2 2 286.423 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761813 165190643 /nfs/dbraw/zinc/19/06/43/165190643.db2.gz RPWIHZBASFGDKA-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761813 165190647 /nfs/dbraw/zinc/19/06/47/165190647.db2.gz RPWIHZBASFGDKA-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747146 165195109 /nfs/dbraw/zinc/19/51/09/165195109.db2.gz HLAVRBHMTHEQFX-ROUUACIJSA-N 2 2 270.420 3.349 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088747146 165195115 /nfs/dbraw/zinc/19/51/15/165195115.db2.gz HLAVRBHMTHEQFX-ROUUACIJSA-N 2 2 270.420 3.349 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncc(F)c1 ZINC000089512828 165206598 /nfs/dbraw/zinc/20/65/98/165206598.db2.gz LZNDBQVDAJHJAC-GFCCVEGCSA-N 2 2 279.403 3.134 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cncc(F)c1 ZINC000089512827 165207576 /nfs/dbraw/zinc/20/75/76/165207576.db2.gz LZNDBQVDAJHJAC-LBPRGKRZSA-N 2 2 279.403 3.134 20 0 CGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nccs1 ZINC000091725836 165269659 /nfs/dbraw/zinc/26/96/59/165269659.db2.gz WYDLRXOKAIQSJR-RYUDHWBXSA-N 2 2 269.458 3.160 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000091333722 287107637 /nfs/dbraw/zinc/10/76/37/287107637.db2.gz SRFPAYWDLIZDSM-CHWSQXEVSA-N 2 2 280.843 3.343 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000091333722 287107638 /nfs/dbraw/zinc/10/76/38/287107638.db2.gz SRFPAYWDLIZDSM-CHWSQXEVSA-N 2 2 280.843 3.343 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C(C)C)cc1 ZINC000091333678 287107651 /nfs/dbraw/zinc/10/76/51/287107651.db2.gz JGGCPWYYKGWJJA-RDTXWAMCSA-N 2 2 290.451 3.465 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000091333678 287107652 /nfs/dbraw/zinc/10/76/52/287107652.db2.gz JGGCPWYYKGWJJA-RDTXWAMCSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@H](C)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000093055597 165321236 /nfs/dbraw/zinc/32/12/36/165321236.db2.gz QYZRZEYKLQSLAC-HNNXBMFYSA-N 2 2 271.408 3.110 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccc(F)cc1 ZINC000091892753 287109988 /nfs/dbraw/zinc/10/99/88/287109988.db2.gz XXJTXFXVLLLYLG-ZGQVYYGYSA-N 2 2 288.410 3.398 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccc(F)cc1 ZINC000091892753 287109990 /nfs/dbraw/zinc/10/99/90/287109990.db2.gz XXJTXFXVLLLYLG-ZGQVYYGYSA-N 2 2 288.410 3.398 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccc(F)cc1 ZINC000091892753 287109994 /nfs/dbraw/zinc/10/99/94/287109994.db2.gz XXJTXFXVLLLYLG-ZGQVYYGYSA-N 2 2 288.410 3.398 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccc(F)cc1 ZINC000091892753 287109998 /nfs/dbraw/zinc/10/99/98/287109998.db2.gz XXJTXFXVLLLYLG-ZGQVYYGYSA-N 2 2 288.410 3.398 20 0 CGADLP C[C@@H](c1cccnc1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334343865 287154381 /nfs/dbraw/zinc/15/43/81/287154381.db2.gz RRMWLFPFTRDNBM-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(Cl)c1 ZINC000020127021 171012239 /nfs/dbraw/zinc/01/22/39/171012239.db2.gz JZRZNCSOLVYXBT-NSHDSACASA-N 2 2 270.779 3.226 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020305144 171141920 /nfs/dbraw/zinc/14/19/20/171141920.db2.gz BTUKEALHPFBBAU-UHFFFAOYSA-N 2 2 283.297 3.082 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000020439327 171202775 /nfs/dbraw/zinc/20/27/75/171202775.db2.gz XOWZBZMZYHZBPC-CYBMUJFWSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1ccc2[nH+]c(CNc3[nH+]ccn3CC(C)C)cn2c1 ZINC000285338966 196254115 /nfs/dbraw/zinc/25/41/15/196254115.db2.gz YGCISIMZBFVRIG-UHFFFAOYSA-N 2 2 283.379 3.107 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000285788921 196398651 /nfs/dbraw/zinc/39/86/51/196398651.db2.gz UNNVQMUEFPHUTC-INIZCTEOSA-N 2 2 257.381 3.323 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000038087343 174098448 /nfs/dbraw/zinc/09/84/48/174098448.db2.gz HHIWWBBYAUXSTR-USXIJHARSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+]C1CCC(c2ccccc2)CC1)[NH+](C)C ZINC000038088997 174102650 /nfs/dbraw/zinc/10/26/50/174102650.db2.gz ZINYATICYYVXPS-ODIFPOPNSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000040500571 174296991 /nfs/dbraw/zinc/29/69/91/174296991.db2.gz ZRMXFZJILFUQCQ-MRXNPFEDSA-N 2 2 271.408 3.193 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040591767 174347128 /nfs/dbraw/zinc/34/71/28/174347128.db2.gz GFYRUSVTKUTQAW-LBPRGKRZSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000040591767 174347129 /nfs/dbraw/zinc/34/71/29/174347129.db2.gz GFYRUSVTKUTQAW-LBPRGKRZSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746954 174392069 /nfs/dbraw/zinc/39/20/69/174392069.db2.gz UIWXTTIFHSENMK-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746954 174392071 /nfs/dbraw/zinc/39/20/71/174392071.db2.gz UIWXTTIFHSENMK-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H](C)c1ccccc1 ZINC000128224647 287306051 /nfs/dbraw/zinc/30/60/51/287306051.db2.gz HZVBONANMKQWCY-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941019 176014898 /nfs/dbraw/zinc/01/48/98/176014898.db2.gz ATOJWTXWSDVCLJ-OAHLLOKOSA-N 2 2 273.424 3.234 20 0 CGADLP CCC[N@H+](Cc1cccc(OC(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000071314964 176121431 /nfs/dbraw/zinc/12/14/31/176121431.db2.gz KSTOYGBQLHQVFQ-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CCC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000071314964 176121433 /nfs/dbraw/zinc/12/14/33/176121433.db2.gz KSTOYGBQLHQVFQ-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922164 416522806 /nfs/dbraw/zinc/52/28/06/416522806.db2.gz HGQNCUWDWMWDSA-ULQDDVLXSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922164 416522810 /nfs/dbraw/zinc/52/28/10/416522810.db2.gz HGQNCUWDWMWDSA-ULQDDVLXSA-N 2 2 276.399 3.493 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800009 416534962 /nfs/dbraw/zinc/53/49/62/416534962.db2.gz RGTFNLWCXWWSMY-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800009 416534966 /nfs/dbraw/zinc/53/49/66/416534966.db2.gz RGTFNLWCXWWSMY-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800009 416534971 /nfs/dbraw/zinc/53/49/71/416534971.db2.gz RGTFNLWCXWWSMY-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800009 416534975 /nfs/dbraw/zinc/53/49/75/416534975.db2.gz RGTFNLWCXWWSMY-CZUORRHYSA-N 2 2 298.858 3.034 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000312569883 416535024 /nfs/dbraw/zinc/53/50/24/416535024.db2.gz IDOHYCBVOFZWKA-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000312569883 416535028 /nfs/dbraw/zinc/53/50/28/416535028.db2.gz IDOHYCBVOFZWKA-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)[C@H]1CC[NH3+] ZINC000404307907 416551452 /nfs/dbraw/zinc/55/14/52/416551452.db2.gz GLYJJPZZXYTSIE-OCCSQVGLSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H]1CC[NH3+] ZINC000404307907 416551458 /nfs/dbraw/zinc/55/14/58/416551458.db2.gz GLYJJPZZXYTSIE-OCCSQVGLSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000679040199 543585953 /nfs/dbraw/zinc/58/59/53/543585953.db2.gz ZXKOCPWCXXPDHM-KEYYUXOJSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000679040199 543585954 /nfs/dbraw/zinc/58/59/54/543585954.db2.gz ZXKOCPWCXXPDHM-KEYYUXOJSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(s1)CCCC2 ZINC000129663932 287336974 /nfs/dbraw/zinc/33/69/74/287336974.db2.gz QBCRAINHJRZKKO-LBPRGKRZSA-N 2 2 275.421 3.174 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)[C@H](C)C2 ZINC000679342010 543622683 /nfs/dbraw/zinc/62/26/83/543622683.db2.gz RDSXDLBYEBQKSF-DKSSEZFCSA-N 2 2 284.447 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)[C@H](C)C2 ZINC000679342010 543622686 /nfs/dbraw/zinc/62/26/86/543622686.db2.gz RDSXDLBYEBQKSF-DKSSEZFCSA-N 2 2 284.447 3.302 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCCCC1 ZINC000679332487 543621021 /nfs/dbraw/zinc/62/10/21/543621021.db2.gz WBJAPHUTRXRDDI-SJORKVTESA-N 2 2 284.488 3.028 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000680050055 543680770 /nfs/dbraw/zinc/68/07/70/543680770.db2.gz LHFGKBDXEZIIRW-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000680050055 543680774 /nfs/dbraw/zinc/68/07/74/543680774.db2.gz LHFGKBDXEZIIRW-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114381 543768711 /nfs/dbraw/zinc/76/87/11/543768711.db2.gz RUHIWLUCQLNAHV-LKGAJIBZSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114381 543768715 /nfs/dbraw/zinc/76/87/15/543768715.db2.gz RUHIWLUCQLNAHV-LKGAJIBZSA-N 2 2 294.389 3.455 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000131121528 287371355 /nfs/dbraw/zinc/37/13/55/287371355.db2.gz GLKWZXJFJOROCB-SJLPKXTDSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000131059528 287369612 /nfs/dbraw/zinc/36/96/12/287369612.db2.gz BAISEQJBTSSPEK-IRXDYDNUSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000131059528 287369613 /nfs/dbraw/zinc/36/96/13/287369613.db2.gz BAISEQJBTSSPEK-IRXDYDNUSA-N 2 2 272.436 3.397 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000131422448 287379661 /nfs/dbraw/zinc/37/96/61/287379661.db2.gz YHSVZIJLGKSXSZ-LLVKDONJSA-N 2 2 288.357 3.486 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000683141223 543898911 /nfs/dbraw/zinc/89/89/11/543898911.db2.gz QSMGCFBNSOPDRQ-GOSISDBHSA-N 2 2 290.451 3.182 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000683141223 543898915 /nfs/dbraw/zinc/89/89/15/543898915.db2.gz QSMGCFBNSOPDRQ-GOSISDBHSA-N 2 2 290.451 3.182 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684020719 543960621 /nfs/dbraw/zinc/96/06/21/543960621.db2.gz HVTBIHZGNJAAMB-OAHLLOKOSA-N 2 2 285.435 3.332 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684020719 543960624 /nfs/dbraw/zinc/96/06/24/543960624.db2.gz HVTBIHZGNJAAMB-OAHLLOKOSA-N 2 2 285.435 3.332 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367186226 227214761 /nfs/dbraw/zinc/21/47/61/227214761.db2.gz MKDIKJOORIOHKA-GDBMZVCRSA-N 2 2 293.430 3.270 20 0 CGADLP C([C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCCCC1 ZINC000659872618 419023780 /nfs/dbraw/zinc/02/37/80/419023780.db2.gz GAEMUFQDBVQNBY-BDXSIMOUSA-N 2 2 276.468 3.373 20 0 CGADLP C([C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCCCC1 ZINC000659872618 419023782 /nfs/dbraw/zinc/02/37/82/419023782.db2.gz GAEMUFQDBVQNBY-BDXSIMOUSA-N 2 2 276.468 3.373 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)c[nH+]1 ZINC000659881971 419028003 /nfs/dbraw/zinc/02/80/03/419028003.db2.gz CFTPFADXQCRLKO-ZDUSSCGKSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)c[nH+]1 ZINC000659881971 419028007 /nfs/dbraw/zinc/02/80/07/419028007.db2.gz CFTPFADXQCRLKO-ZDUSSCGKSA-N 2 2 298.415 3.330 20 0 CGADLP C[N@@H+](Cc1nsc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000659947826 419041835 /nfs/dbraw/zinc/04/18/35/419041835.db2.gz NNFUZBJZQFOVJQ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[N@H+](Cc1nsc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000659947826 419041838 /nfs/dbraw/zinc/04/18/38/419041838.db2.gz NNFUZBJZQFOVJQ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nsc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000659947826 419041840 /nfs/dbraw/zinc/04/18/40/419041840.db2.gz NNFUZBJZQFOVJQ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nsc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659947826 419041843 /nfs/dbraw/zinc/04/18/43/419041843.db2.gz NNFUZBJZQFOVJQ-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728902 419080835 /nfs/dbraw/zinc/08/08/35/419080835.db2.gz ZZZYTRVZSMAGRT-GDBMZVCRSA-N 2 2 282.472 3.044 20 0 CGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000665250465 419091798 /nfs/dbraw/zinc/09/17/98/419091798.db2.gz RWDKLFOJOILFAR-HSALFYBXSA-N 2 2 292.426 3.409 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665276963 419099952 /nfs/dbraw/zinc/09/99/52/419099952.db2.gz QFPPTRYFJFTRMU-XGTXGMFGSA-N 2 2 264.800 3.133 20 0 CGADLP CC(C)Cc1cccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665280294 419101456 /nfs/dbraw/zinc/10/14/56/419101456.db2.gz XZVHCWFINMMRDN-NXVRBGIVSA-N 2 2 272.436 3.288 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(Br)c1 ZINC000665293794 419107668 /nfs/dbraw/zinc/10/76/68/419107668.db2.gz CYAOZIDXIOSBDB-GWCFXTLKSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000665296315 419109083 /nfs/dbraw/zinc/10/90/83/419109083.db2.gz QIBCFYPFSSQIEG-PWSUYJOCSA-N 2 2 276.380 3.008 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000665296345 419109709 /nfs/dbraw/zinc/10/97/09/419109709.db2.gz RHGMXSSCQPDRNO-MLGOLLRUSA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000665297536 419111043 /nfs/dbraw/zinc/11/10/43/419111043.db2.gz HUNPMDMAPJQEQL-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655848248 419118089 /nfs/dbraw/zinc/11/80/89/419118089.db2.gz CDQICLVGSUEPLT-WUCCLRPBSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655848248 419118093 /nfs/dbraw/zinc/11/80/93/419118093.db2.gz CDQICLVGSUEPLT-WUCCLRPBSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848496 419118309 /nfs/dbraw/zinc/11/83/09/419118309.db2.gz GEVVHUIYDVWHHH-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848496 419118311 /nfs/dbraw/zinc/11/83/11/419118311.db2.gz GEVVHUIYDVWHHH-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)n1 ZINC000655849170 419119736 /nfs/dbraw/zinc/11/97/36/419119736.db2.gz PTPSPWDBCLOKAP-RYQLBKOJSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)n1 ZINC000655849170 419119739 /nfs/dbraw/zinc/11/97/39/419119739.db2.gz PTPSPWDBCLOKAP-RYQLBKOJSA-N 2 2 287.451 3.366 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849757 419120004 /nfs/dbraw/zinc/12/00/04/419120004.db2.gz PXABSRLAPLACFI-QKPAOTATSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849757 419120005 /nfs/dbraw/zinc/12/00/05/419120005.db2.gz PXABSRLAPLACFI-QKPAOTATSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849756 419120420 /nfs/dbraw/zinc/12/04/20/419120420.db2.gz PXABSRLAPLACFI-FXUDXRNXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849756 419120423 /nfs/dbraw/zinc/12/04/23/419120423.db2.gz PXABSRLAPLACFI-FXUDXRNXSA-N 2 2 250.430 3.172 20 0 CGADLP c1cc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2[nH]1 ZINC000655856571 419122560 /nfs/dbraw/zinc/12/25/60/419122560.db2.gz NVCSCWAEBCTICJ-IAGOWNOFSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2[nH]1 ZINC000655856571 419122564 /nfs/dbraw/zinc/12/25/64/419122564.db2.gz NVCSCWAEBCTICJ-IAGOWNOFSA-N 2 2 283.419 3.274 20 0 CGADLP CO[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000659997243 419058442 /nfs/dbraw/zinc/05/84/42/419058442.db2.gz ASPKGKHUCWWJRF-INIZCTEOSA-N 2 2 291.439 3.184 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078688 419072456 /nfs/dbraw/zinc/07/24/56/419072456.db2.gz YLKFKPOMWHVYAH-HZPDHXFCSA-N 2 2 291.439 3.184 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000660078688 419072462 /nfs/dbraw/zinc/07/24/62/419072462.db2.gz YLKFKPOMWHVYAH-HZPDHXFCSA-N 2 2 291.439 3.184 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719056 419075198 /nfs/dbraw/zinc/07/51/98/419075198.db2.gz OOSDZWKJRZYYIU-PVAVHDDUSA-N 2 2 294.483 3.044 20 0 CGADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719407 419075794 /nfs/dbraw/zinc/07/57/94/419075794.db2.gz SPRSHQYEWZNDSN-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854985 419124008 /nfs/dbraw/zinc/12/40/08/419124008.db2.gz BSRJNWXMTLINJL-AQAKYHTHSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854985 419124012 /nfs/dbraw/zinc/12/40/12/419124012.db2.gz BSRJNWXMTLINJL-AQAKYHTHSA-N 2 2 270.420 3.306 20 0 CGADLP CCC1(C)CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655720705 419077309 /nfs/dbraw/zinc/07/73/09/419077309.db2.gz DHDHSHUROJFRIL-NXYGQSRBSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Cl)c1 ZINC000655939220 419130014 /nfs/dbraw/zinc/13/00/14/419130014.db2.gz CQYWJXHPVXUPPB-ZIAGYGMSSA-N 2 2 252.789 3.008 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000656438593 419170292 /nfs/dbraw/zinc/17/02/92/419170292.db2.gz SVONRUMCEIMSMO-KRWDZBQOSA-N 2 2 299.418 3.198 20 0 CGADLP COc1ccccc1[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000656438593 419170294 /nfs/dbraw/zinc/17/02/94/419170294.db2.gz SVONRUMCEIMSMO-KRWDZBQOSA-N 2 2 299.418 3.198 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654452 419178039 /nfs/dbraw/zinc/17/80/39/419178039.db2.gz GJSRDCMUKJOLOT-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654452 419178042 /nfs/dbraw/zinc/17/80/42/419178042.db2.gz GJSRDCMUKJOLOT-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654452 419178044 /nfs/dbraw/zinc/17/80/44/419178044.db2.gz GJSRDCMUKJOLOT-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654452 419178046 /nfs/dbraw/zinc/17/80/46/419178046.db2.gz GJSRDCMUKJOLOT-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCSc3ccccc31)CCC2 ZINC000657292446 419243986 /nfs/dbraw/zinc/24/39/86/419243986.db2.gz OEFJVOCMZHUDQE-AWEZNQCLSA-N 2 2 285.416 3.156 20 0 CGADLP Cc1ccc2cc(C[NH2+]CCCCn3cc[nH+]c3)[nH]c2c1 ZINC000657323765 419250865 /nfs/dbraw/zinc/25/08/65/419250865.db2.gz MCRGGQWHKDNCHA-UHFFFAOYSA-N 2 2 282.391 3.243 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657334115 419252968 /nfs/dbraw/zinc/25/29/68/419252968.db2.gz MSARGFUZLPRMLK-HNNXBMFYSA-N 2 2 287.794 3.260 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)(C)c1ccccc1 ZINC000657344774 419255915 /nfs/dbraw/zinc/25/59/15/419255915.db2.gz COAOLILCFBVHIN-CQSZACIVSA-N 2 2 283.419 3.285 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676577 419197540 /nfs/dbraw/zinc/19/75/40/419197540.db2.gz OIXBJSMTLJBDDQ-WFASDCNBSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676577 419197546 /nfs/dbraw/zinc/19/75/46/419197546.db2.gz OIXBJSMTLJBDDQ-WFASDCNBSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1F ZINC000656677682 419198914 /nfs/dbraw/zinc/19/89/14/419198914.db2.gz VQEGUUIEDINKNN-CHWSQXEVSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1F ZINC000656677682 419198916 /nfs/dbraw/zinc/19/89/16/419198916.db2.gz VQEGUUIEDINKNN-CHWSQXEVSA-N 2 2 264.388 3.349 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000666487880 419221986 /nfs/dbraw/zinc/22/19/86/419221986.db2.gz RLJZULGPUABVFT-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000666487880 419221989 /nfs/dbraw/zinc/22/19/89/419221989.db2.gz RLJZULGPUABVFT-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394306 419268905 /nfs/dbraw/zinc/26/89/05/419268905.db2.gz HRVQZQLMBPJXJF-IUODEOHRSA-N 2 2 289.448 3.115 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000657394306 419268908 /nfs/dbraw/zinc/26/89/08/419268908.db2.gz HRVQZQLMBPJXJF-IUODEOHRSA-N 2 2 289.448 3.115 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc2ncsc2c1 ZINC000657439461 419279463 /nfs/dbraw/zinc/27/94/63/419279463.db2.gz GZESVBSGJSGKCJ-NSHDSACASA-N 2 2 298.415 3.290 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657454648 419282156 /nfs/dbraw/zinc/28/21/56/419282156.db2.gz CQXNEOQIUTWBKB-LBPRGKRZSA-N 2 2 287.432 3.402 20 0 CGADLP Fc1cccc([C@H]2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657456951 419283714 /nfs/dbraw/zinc/28/37/14/419283714.db2.gz CKOZNKAMNGXUFI-GOEBONIOSA-N 2 2 299.393 3.394 20 0 CGADLP CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657479064 419288785 /nfs/dbraw/zinc/28/87/85/419288785.db2.gz QDLYKNRUNNHXPY-UONOGXRCSA-N 2 2 261.413 3.135 20 0 CGADLP Clc1ccccc1C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657497826 419294273 /nfs/dbraw/zinc/29/42/73/419294273.db2.gz CUVVSVBJGDNYJH-UHFFFAOYSA-N 2 2 287.794 3.262 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3F)CCC2)n1C ZINC000657500950 419295292 /nfs/dbraw/zinc/29/52/92/419295292.db2.gz QULZDNPFLKRLDI-UHFFFAOYSA-N 2 2 287.382 3.079 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000657523156 419297519 /nfs/dbraw/zinc/29/75/19/419297519.db2.gz DVYIMOAZAOJSIL-CQSZACIVSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000657523156 419297520 /nfs/dbraw/zinc/29/75/20/419297520.db2.gz DVYIMOAZAOJSIL-CQSZACIVSA-N 2 2 272.392 3.395 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667036 419323857 /nfs/dbraw/zinc/32/38/57/419323857.db2.gz XBIICQNBSXXKGB-BMFZPTHFSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667036 419323859 /nfs/dbraw/zinc/32/38/59/419323859.db2.gz XBIICQNBSXXKGB-BMFZPTHFSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657664474 419322369 /nfs/dbraw/zinc/32/23/69/419322369.db2.gz KRCLXIATWWOURF-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657664474 419322371 /nfs/dbraw/zinc/32/23/71/419322371.db2.gz KRCLXIATWWOURF-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657742742 419335672 /nfs/dbraw/zinc/33/56/72/419335672.db2.gz WGQUYWPADSDRPQ-NXHRZFHOSA-N 2 2 287.451 3.182 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657742742 419335675 /nfs/dbraw/zinc/33/56/75/419335675.db2.gz WGQUYWPADSDRPQ-NXHRZFHOSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000657837832 419381617 /nfs/dbraw/zinc/38/16/17/419381617.db2.gz KHQNKFCZECMDHK-LNSITVRQSA-N 2 2 295.377 3.297 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000657837832 419381623 /nfs/dbraw/zinc/38/16/23/419381623.db2.gz KHQNKFCZECMDHK-LNSITVRQSA-N 2 2 295.377 3.297 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662274243 419381688 /nfs/dbraw/zinc/38/16/88/419381688.db2.gz GRLCBPYYZSYNCR-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662274243 419381690 /nfs/dbraw/zinc/38/16/90/419381690.db2.gz GRLCBPYYZSYNCR-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662274237 419381895 /nfs/dbraw/zinc/38/18/95/419381895.db2.gz GRLCBPYYZSYNCR-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662274237 419381898 /nfs/dbraw/zinc/38/18/98/419381898.db2.gz GRLCBPYYZSYNCR-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658006125 419490313 /nfs/dbraw/zinc/49/03/13/419490313.db2.gz FORZCEHMRBQDOH-YCPHGPKFSA-N 2 2 273.424 3.134 20 0 CGADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+](C)C ZINC000658014801 419492926 /nfs/dbraw/zinc/49/29/26/419492926.db2.gz OPECPLUXVAOVRU-AWEZNQCLSA-N 2 2 288.357 3.178 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000658012715 419493671 /nfs/dbraw/zinc/49/36/71/419493671.db2.gz DFTCPMGRDHMHKU-WFASDCNBSA-N 2 2 268.832 3.201 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000658054309 419522765 /nfs/dbraw/zinc/52/27/65/419522765.db2.gz DECLGLUSMRTDPL-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000658054309 419522772 /nfs/dbraw/zinc/52/27/72/419522772.db2.gz DECLGLUSMRTDPL-OCCSQVGLSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000658059471 419530946 /nfs/dbraw/zinc/53/09/46/419530946.db2.gz JPEAFJOODNALSN-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000658059471 419530954 /nfs/dbraw/zinc/53/09/54/419530954.db2.gz JPEAFJOODNALSN-QBPKDAKJSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000658059365 419532976 /nfs/dbraw/zinc/53/29/76/419532976.db2.gz HZERIMGRXXQTLG-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000658059365 419532981 /nfs/dbraw/zinc/53/29/81/419532981.db2.gz HZERIMGRXXQTLG-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000658077958 419547819 /nfs/dbraw/zinc/54/78/19/419547819.db2.gz SJAYBPDTTWSEJL-KBRIMQKVSA-N 2 2 290.426 3.362 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000658077958 419547828 /nfs/dbraw/zinc/54/78/28/419547828.db2.gz SJAYBPDTTWSEJL-KBRIMQKVSA-N 2 2 290.426 3.362 20 0 CGADLP c1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)cc1 ZINC000663502632 419637732 /nfs/dbraw/zinc/63/77/32/419637732.db2.gz XGPZZHCZKWGJJI-UHFFFAOYSA-N 2 2 278.399 3.195 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000658095313 419572621 /nfs/dbraw/zinc/57/26/21/419572621.db2.gz GKJBHNCHYGMJAR-GJZGRUSLSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000658095313 419572627 /nfs/dbraw/zinc/57/26/27/419572627.db2.gz GKJBHNCHYGMJAR-GJZGRUSLSA-N 2 2 250.430 3.028 20 0 CGADLP c1cc2c(cc[nH+]c2NC2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000663389964 419586520 /nfs/dbraw/zinc/58/65/20/419586520.db2.gz ADOMYLJWGPPQJR-UHFFFAOYSA-N 2 2 293.374 3.039 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000663428915 419600875 /nfs/dbraw/zinc/60/08/75/419600875.db2.gz VRXQCYRBXNUAGF-CYBMUJFWSA-N 2 2 297.402 3.200 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000663428915 419600885 /nfs/dbraw/zinc/60/08/85/419600885.db2.gz VRXQCYRBXNUAGF-CYBMUJFWSA-N 2 2 297.402 3.200 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663659764 419666751 /nfs/dbraw/zinc/66/67/51/419666751.db2.gz FNWRIGPHMFJQQC-CMPLNLGQSA-N 2 2 287.329 3.303 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663659764 419666755 /nfs/dbraw/zinc/66/67/55/419666755.db2.gz FNWRIGPHMFJQQC-CMPLNLGQSA-N 2 2 287.329 3.303 20 0 CGADLP CCCC1CCC([NH2+]CC[N@H+](CC)C2CC2)CC1 ZINC000227551301 262392168 /nfs/dbraw/zinc/39/21/68/262392168.db2.gz NUAONGFWTCRPLC-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([NH2+]CC[N@@H+](CC)C2CC2)CC1 ZINC000227551301 262392169 /nfs/dbraw/zinc/39/21/69/262392169.db2.gz NUAONGFWTCRPLC-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684046 270037110 /nfs/dbraw/zinc/03/71/10/270037110.db2.gz KIOJMXGJCLABQY-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684046 270037111 /nfs/dbraw/zinc/03/71/11/270037111.db2.gz KIOJMXGJCLABQY-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000045094507 270038157 /nfs/dbraw/zinc/03/81/57/270038157.db2.gz YHXKTVLZWHZTMG-GFCCVEGCSA-N 2 2 279.334 3.292 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000045105567 270038181 /nfs/dbraw/zinc/03/81/81/270038181.db2.gz XIMAXNAHASEPLX-CYBMUJFWSA-N 2 2 261.344 3.153 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccccc1 ZINC000232700680 287646550 /nfs/dbraw/zinc/64/65/50/287646550.db2.gz HURYWOLVVCNQAF-MRXNPFEDSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@H]([NH2+]CCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189902578 270072340 /nfs/dbraw/zinc/07/23/40/270072340.db2.gz CPBCOWOYVKJGKD-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000237430761 270090348 /nfs/dbraw/zinc/09/03/48/270090348.db2.gz IMTRIVYOGNYGHO-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000237430761 270090349 /nfs/dbraw/zinc/09/03/49/270090349.db2.gz IMTRIVYOGNYGHO-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000237433923 270090445 /nfs/dbraw/zinc/09/04/45/270090445.db2.gz IMTRIVYOGNYGHO-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000237433923 270090446 /nfs/dbraw/zinc/09/04/46/270090446.db2.gz IMTRIVYOGNYGHO-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@@H]1C ZINC000321960136 270093209 /nfs/dbraw/zinc/09/32/09/270093209.db2.gz YMMMDZYBFJGSEX-BPUTZDHNSA-N 2 2 273.424 3.075 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000322524133 270093851 /nfs/dbraw/zinc/09/38/51/270093851.db2.gz NBJQCKMMCCQBCN-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000322524133 270093852 /nfs/dbraw/zinc/09/38/52/270093852.db2.gz NBJQCKMMCCQBCN-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C)CC1 ZINC000516231424 270097368 /nfs/dbraw/zinc/09/73/68/270097368.db2.gz WRDZGXIDMZJEKH-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C)CC1 ZINC000516231424 270097369 /nfs/dbraw/zinc/09/73/69/270097369.db2.gz WRDZGXIDMZJEKH-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000521204829 270100908 /nfs/dbraw/zinc/10/09/08/270100908.db2.gz XSEAXNFBBMXIOS-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000521204829 270100909 /nfs/dbraw/zinc/10/09/09/270100909.db2.gz XSEAXNFBBMXIOS-GOSISDBHSA-N 2 2 297.446 3.226 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000527673123 270131181 /nfs/dbraw/zinc/13/11/81/270131181.db2.gz MSHQDHBWIOZFEY-OLZOCXBDSA-N 2 2 276.415 3.376 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000527673123 270131182 /nfs/dbraw/zinc/13/11/82/270131182.db2.gz MSHQDHBWIOZFEY-OLZOCXBDSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701704 270132716 /nfs/dbraw/zinc/13/27/16/270132716.db2.gz WQPOLBUKYCCSPY-IEAZIUSSSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701704 270132717 /nfs/dbraw/zinc/13/27/17/270132717.db2.gz WQPOLBUKYCCSPY-IEAZIUSSSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1sccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527813536 270138076 /nfs/dbraw/zinc/13/80/76/270138076.db2.gz XQRWPGQADCFMJF-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527813536 270138077 /nfs/dbraw/zinc/13/80/77/270138077.db2.gz XQRWPGQADCFMJF-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527808943 270137527 /nfs/dbraw/zinc/13/75/27/270137527.db2.gz RKRBAAQFQQAZEE-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527808943 270137528 /nfs/dbraw/zinc/13/75/28/270137528.db2.gz RKRBAAQFQQAZEE-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527846344 270139432 /nfs/dbraw/zinc/13/94/32/270139432.db2.gz KYUUFUSIUHRMFQ-YOEHRIQHSA-N 2 2 281.403 3.210 20 0 CGADLP CC(C)c1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000527850673 270139786 /nfs/dbraw/zinc/13/97/86/270139786.db2.gz XZPUHXXWNFNMNZ-CQSZACIVSA-N 2 2 257.381 3.357 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000527893925 270142432 /nfs/dbraw/zinc/14/24/32/270142432.db2.gz RKXFLVJMBXNEOQ-IAGOWNOFSA-N 2 2 283.419 3.199 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527923942 270144478 /nfs/dbraw/zinc/14/44/78/270144478.db2.gz CYFHPSMHXFQUKE-CVEARBPZSA-N 2 2 299.418 3.340 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951106 270146480 /nfs/dbraw/zinc/14/64/80/270146480.db2.gz QGPVCOPAYJMGID-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCOCC1 ZINC000527951106 270146481 /nfs/dbraw/zinc/14/64/81/270146481.db2.gz QGPVCOPAYJMGID-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000528000001 270149862 /nfs/dbraw/zinc/14/98/62/270149862.db2.gz IJPOHFFQEITRAO-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000528000001 270149863 /nfs/dbraw/zinc/14/98/63/270149863.db2.gz IJPOHFFQEITRAO-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002173 270150219 /nfs/dbraw/zinc/15/02/19/270150219.db2.gz PHJVFTZNKWLIMM-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002173 270150220 /nfs/dbraw/zinc/15/02/20/270150220.db2.gz PHJVFTZNKWLIMM-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002838 270150306 /nfs/dbraw/zinc/15/03/06/270150306.db2.gz QYGOXESJVDNJQE-YESZJQIVSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002838 270150307 /nfs/dbraw/zinc/15/03/07/270150307.db2.gz QYGOXESJVDNJQE-YESZJQIVSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528001209 270150311 /nfs/dbraw/zinc/15/03/11/270150311.db2.gz LXLPBYMQINKTIA-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528001209 270150312 /nfs/dbraw/zinc/15/03/12/270150312.db2.gz LXLPBYMQINKTIA-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015915 270151652 /nfs/dbraw/zinc/15/16/52/270151652.db2.gz ZZNKWFXCZLQUBE-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015915 270151653 /nfs/dbraw/zinc/15/16/53/270151653.db2.gz ZZNKWFXCZLQUBE-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(F)cn1 ZINC000529535481 270183184 /nfs/dbraw/zinc/18/31/84/270183184.db2.gz HQOLXSCDPQBPOL-UHFFFAOYSA-N 2 2 298.365 3.059 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cc[nH]c2c1 ZINC000529536856 270183307 /nfs/dbraw/zinc/18/33/07/270183307.db2.gz OBKDQWSLDZVFQY-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cc[nH]c2c1 ZINC000529536856 270183308 /nfs/dbraw/zinc/18/33/08/270183308.db2.gz OBKDQWSLDZVFQY-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529536856 270183309 /nfs/dbraw/zinc/18/33/09/270183309.db2.gz OBKDQWSLDZVFQY-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529536856 270183310 /nfs/dbraw/zinc/18/33/10/270183310.db2.gz OBKDQWSLDZVFQY-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc2c(s1)CCC2 ZINC000530216607 270195659 /nfs/dbraw/zinc/19/56/59/270195659.db2.gz CICJCMILYBVANL-IAQYHMDHSA-N 2 2 276.449 3.172 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220370 270196086 /nfs/dbraw/zinc/19/60/86/270196086.db2.gz NRWHXFARLGOMST-XJKSGUPXSA-N 2 2 274.408 3.021 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(C)ccc1OC ZINC000530219821 270196345 /nfs/dbraw/zinc/19/63/45/270196345.db2.gz NBZYNJXUZYUBHW-RDJZCZTQSA-N 2 2 288.435 3.329 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncccc1F ZINC000530220767 270196676 /nfs/dbraw/zinc/19/66/76/270196676.db2.gz CQMUPSCZOZEJSM-MELADBBJSA-N 2 2 279.403 3.182 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000531682589 270208500 /nfs/dbraw/zinc/20/85/00/270208500.db2.gz WJPBOYAWFVNDFQ-KXBFYZLASA-N 2 2 298.430 3.241 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000531682589 270208501 /nfs/dbraw/zinc/20/85/01/270208501.db2.gz WJPBOYAWFVNDFQ-KXBFYZLASA-N 2 2 298.430 3.241 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000531692819 270208853 /nfs/dbraw/zinc/20/88/53/270208853.db2.gz ILVNHNXSVOGNIT-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531951759 270211391 /nfs/dbraw/zinc/21/13/91/270211391.db2.gz UJBCTZNAHQUABV-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531951759 270211392 /nfs/dbraw/zinc/21/13/92/270211392.db2.gz UJBCTZNAHQUABV-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983916 270212309 /nfs/dbraw/zinc/21/23/09/270212309.db2.gz MICGMNOPXNMIGG-GJZGRUSLSA-N 2 2 276.424 3.078 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983916 270212310 /nfs/dbraw/zinc/21/23/10/270212310.db2.gz MICGMNOPXNMIGG-GJZGRUSLSA-N 2 2 276.424 3.078 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531984702 270212428 /nfs/dbraw/zinc/21/24/28/270212428.db2.gz RERUBFLLNFRDGJ-UONOGXRCSA-N 2 2 278.465 3.401 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531984702 270212429 /nfs/dbraw/zinc/21/24/29/270212429.db2.gz RERUBFLLNFRDGJ-UONOGXRCSA-N 2 2 278.465 3.401 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000415089375 273499278 /nfs/dbraw/zinc/49/92/78/273499278.db2.gz WMDAQSBBHOMHLI-AWEZNQCLSA-N 2 2 266.816 3.305 20 0 CGADLP COCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280316308 274020446 /nfs/dbraw/zinc/02/04/46/274020446.db2.gz XRSJDTWQGKLDST-UHFFFAOYSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423194317 274318674 /nfs/dbraw/zinc/31/86/74/274318674.db2.gz RFFKDUACEJGKEG-MDZLAQPJSA-N 2 2 250.411 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450329518 274333684 /nfs/dbraw/zinc/33/36/84/274333684.db2.gz QSEAUGRIBNHGDY-SNVBAGLBSA-N 2 2 293.773 3.168 20 0 CGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450329518 274333685 /nfs/dbraw/zinc/33/36/85/274333685.db2.gz QSEAUGRIBNHGDY-SNVBAGLBSA-N 2 2 293.773 3.168 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000423142877 274520392 /nfs/dbraw/zinc/52/03/92/274520392.db2.gz BNSQNEOIUMRINU-AMKSKSKJSA-N 2 2 280.362 3.072 20 0 CGADLP C[C@H]1C[C@H](Nc2cc3c(c[nH+]2)CCCC3)c2[nH+]ccn21 ZINC000453234986 274624928 /nfs/dbraw/zinc/62/49/28/274624928.db2.gz JBIPCFLVWSKUMZ-FZMZJTMJSA-N 2 2 268.364 3.275 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)CCC2 ZINC000453127808 274824302 /nfs/dbraw/zinc/82/43/02/274824302.db2.gz WAOBWDNNUYENPG-CVEARBPZSA-N 2 2 273.424 3.237 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccccc3C1)CCC2 ZINC000366207807 274824605 /nfs/dbraw/zinc/82/46/05/274824605.db2.gz DCRGNBQHWKNHIW-ZWKOTPCHSA-N 2 2 295.430 3.216 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872009 274882035 /nfs/dbraw/zinc/88/20/35/274882035.db2.gz LOYPDEFIAMYOFT-UKRRQHHQSA-N 2 2 287.794 3.128 20 0 CGADLP c1ccc2[nH+]c(N3CCCC[C@@H]([NH+]4CCCC4)C3)[nH]c2c1 ZINC000270577471 275068850 /nfs/dbraw/zinc/06/88/50/275068850.db2.gz OZOXASGVFIDEME-CQSZACIVSA-N 2 2 284.407 3.018 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423231624 275069270 /nfs/dbraw/zinc/06/92/70/275069270.db2.gz HBNJAVPNZJJCGY-CYBMUJFWSA-N 2 2 264.372 3.098 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488465034 275687059 /nfs/dbraw/zinc/68/70/59/275687059.db2.gz UCCMOTLHAYHKEL-IKGGRYGDSA-N 2 2 292.492 3.409 20 0 CGADLP CCC(CC)[C@H](CC[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000354288460 275958425 /nfs/dbraw/zinc/95/84/25/275958425.db2.gz DREDVJGFFIYIBL-INIZCTEOSA-N 2 2 289.423 3.265 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000480094751 276174516 /nfs/dbraw/zinc/17/45/16/276174516.db2.gz QVHZTCGVTZNAEJ-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000480094751 276174517 /nfs/dbraw/zinc/17/45/17/276174517.db2.gz QVHZTCGVTZNAEJ-MOPGFXCFSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000149342548 276174785 /nfs/dbraw/zinc/17/47/85/276174785.db2.gz MTFMGSAEVHOOFY-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000149342548 276174787 /nfs/dbraw/zinc/17/47/87/276174787.db2.gz MTFMGSAEVHOOFY-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000359590430 276175451 /nfs/dbraw/zinc/17/54/51/276175451.db2.gz KNTLXCQLCKTSET-XGWLTEMNSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000359590430 276175452 /nfs/dbraw/zinc/17/54/52/276175452.db2.gz KNTLXCQLCKTSET-XGWLTEMNSA-N 2 2 276.399 3.133 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423244316 276266648 /nfs/dbraw/zinc/26/66/48/276266648.db2.gz KXZDUYLGMXDBEK-GFCCVEGCSA-N 2 2 273.207 3.180 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344034862 276379597 /nfs/dbraw/zinc/37/95/97/276379597.db2.gz PGOHMEBVKGSNQF-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344034862 276379600 /nfs/dbraw/zinc/37/96/00/276379600.db2.gz PGOHMEBVKGSNQF-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCOC1 ZINC000423396350 276588522 /nfs/dbraw/zinc/58/85/22/276588522.db2.gz NRZSARQRNQFHDK-QYZOEREBSA-N 2 2 298.430 3.244 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)[C@@H]1CC1(C)C ZINC000414092193 276637484 /nfs/dbraw/zinc/63/74/84/276637484.db2.gz FEBZUBUGBJNRKD-ILXRZTDVSA-N 2 2 275.440 3.483 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)Cc2ccccc2C1 ZINC000502279880 276770670 /nfs/dbraw/zinc/77/06/70/276770670.db2.gz VVTRDVVPHWIDHK-IPMKNSEASA-N 2 2 298.474 3.254 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000435868795 277022359 /nfs/dbraw/zinc/02/23/59/277022359.db2.gz HGYAUGVWEBDXED-OAHLLOKOSA-N 2 2 292.473 3.367 20 0 CGADLP C[NH2+]CCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000435868795 277022360 /nfs/dbraw/zinc/02/23/60/277022360.db2.gz HGYAUGVWEBDXED-OAHLLOKOSA-N 2 2 292.473 3.367 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)C1 ZINC000292784671 277087047 /nfs/dbraw/zinc/08/70/47/277087047.db2.gz MCDNRZUPZBTNGF-AWEZNQCLSA-N 2 2 299.340 3.023 20 0 CGADLP C[N@H+]1CCC[C@]2(CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)C1 ZINC000292784671 277087048 /nfs/dbraw/zinc/08/70/48/277087048.db2.gz MCDNRZUPZBTNGF-AWEZNQCLSA-N 2 2 299.340 3.023 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000247096738 278029652 /nfs/dbraw/zinc/02/96/52/278029652.db2.gz OKRBRWZYISQQEH-XUJVJEKNSA-N 2 2 276.449 3.340 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000247096738 278029655 /nfs/dbraw/zinc/02/96/55/278029655.db2.gz OKRBRWZYISQQEH-XUJVJEKNSA-N 2 2 276.449 3.340 20 0 CGADLP CC(C)c1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000470024065 278035344 /nfs/dbraw/zinc/03/53/44/278035344.db2.gz IBOGFNSMZSPWNU-KRWDZBQOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000470024065 278035346 /nfs/dbraw/zinc/03/53/46/278035346.db2.gz IBOGFNSMZSPWNU-KRWDZBQOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424371376 278072937 /nfs/dbraw/zinc/07/29/37/278072937.db2.gz GAACBKUVPLSHEO-QJPTWQEYSA-N 2 2 267.442 3.187 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)[N@H+](C)C1CC1 ZINC000453096812 278210486 /nfs/dbraw/zinc/21/04/86/278210486.db2.gz IGXFUFKYKGZGJH-WBMJQRKESA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)[N@@H+](C)C1CC1 ZINC000453096812 278210487 /nfs/dbraw/zinc/21/04/87/278210487.db2.gz IGXFUFKYKGZGJH-WBMJQRKESA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](CC1CCCCC1)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356302021 278225033 /nfs/dbraw/zinc/22/50/33/278225033.db2.gz UYXZNAYOGUAMBG-AWEZNQCLSA-N 2 2 261.413 3.305 20 0 CGADLP C[C@@H](CC1CCCCC1)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000356302021 278225034 /nfs/dbraw/zinc/22/50/34/278225034.db2.gz UYXZNAYOGUAMBG-AWEZNQCLSA-N 2 2 261.413 3.305 20 0 CGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397657413 288026271 /nfs/dbraw/zinc/02/62/71/288026271.db2.gz DTIPAJNTCJTDKE-JKSUJKDBSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC(F)(F)CC1 ZINC000423246114 278263283 /nfs/dbraw/zinc/26/32/83/278263283.db2.gz PGFYHXDBBIWOCF-WFASDCNBSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423285211 278279171 /nfs/dbraw/zinc/27/91/71/278279171.db2.gz YAPANCYZUNXUME-ISVAXAHUSA-N 2 2 273.207 3.381 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129342 278282602 /nfs/dbraw/zinc/28/26/02/278282602.db2.gz BRXABGALLTUZGA-HOSILWTGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129342 278282603 /nfs/dbraw/zinc/28/26/03/278282603.db2.gz BRXABGALLTUZGA-HOSILWTGSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000397770993 288030153 /nfs/dbraw/zinc/03/01/53/288030153.db2.gz LTIITTNBMUXUDB-CQSZACIVSA-N 2 2 266.816 3.475 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000397796513 288030989 /nfs/dbraw/zinc/03/09/89/288030989.db2.gz UEYJZQOOISKQIL-UHFFFAOYSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527735 278307275 /nfs/dbraw/zinc/30/72/75/278307275.db2.gz VKALWECQNNVSSM-GHMZBOCLSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527735 278307277 /nfs/dbraw/zinc/30/72/77/278307277.db2.gz VKALWECQNNVSSM-GHMZBOCLSA-N 2 2 270.779 3.211 20 0 CGADLP CCSCC[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397917362 288034915 /nfs/dbraw/zinc/03/49/15/288034915.db2.gz LECMHWCYAHFLQG-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CCSCC[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397917362 288034916 /nfs/dbraw/zinc/03/49/16/288034916.db2.gz LECMHWCYAHFLQG-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397926755 288035015 /nfs/dbraw/zinc/03/50/15/288035015.db2.gz OJUZKRCMIMABPQ-CZUORRHYSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2c(Cl)cccc21)[C@H](C)[NH3+] ZINC000423444777 278386274 /nfs/dbraw/zinc/38/62/74/278386274.db2.gz MCCCYLCTDFWLHO-SBMIAAHKSA-N 2 2 270.829 3.202 20 0 CGADLP CCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422923510 278640637 /nfs/dbraw/zinc/64/06/37/278640637.db2.gz WKJHQBLNAAAPIM-IRXDYDNUSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000343798181 278924285 /nfs/dbraw/zinc/92/42/85/278924285.db2.gz PCRXOYQTJZJQAO-XJKCOSOUSA-N 2 2 267.376 3.036 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300515447 279026776 /nfs/dbraw/zinc/02/67/76/279026776.db2.gz LFNANLCACCTZJG-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300515447 279026777 /nfs/dbraw/zinc/02/67/77/279026777.db2.gz LFNANLCACCTZJG-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414957431 279035886 /nfs/dbraw/zinc/03/58/86/279035886.db2.gz QYXBWZVXJPCFKL-TVQRCGJNSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccccc32)CCC[N@@H+]1C ZINC000342718790 279093662 /nfs/dbraw/zinc/09/36/62/279093662.db2.gz RDZXZVIHSFAEAJ-COXVUDFISA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccccc32)CCC[N@H+]1C ZINC000342718790 279093663 /nfs/dbraw/zinc/09/36/63/279093663.db2.gz RDZXZVIHSFAEAJ-COXVUDFISA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000414678351 279180184 /nfs/dbraw/zinc/18/01/84/279180184.db2.gz QIFWTLIABWJUMQ-JKSUJKDBSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000414678351 279180186 /nfs/dbraw/zinc/18/01/86/279180186.db2.gz QIFWTLIABWJUMQ-JKSUJKDBSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000377412516 279195151 /nfs/dbraw/zinc/19/51/51/279195151.db2.gz OCGPRPLFJMLOTH-DYVFJYSZSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000377412516 279195154 /nfs/dbraw/zinc/19/51/54/279195154.db2.gz OCGPRPLFJMLOTH-DYVFJYSZSA-N 2 2 284.407 3.039 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526970969 288154963 /nfs/dbraw/zinc/15/49/63/288154963.db2.gz CWTZOXFSCOVODZ-DOTOQJQBSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526970969 288154965 /nfs/dbraw/zinc/15/49/65/288154965.db2.gz CWTZOXFSCOVODZ-DOTOQJQBSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970969 288154967 /nfs/dbraw/zinc/15/49/67/288154967.db2.gz CWTZOXFSCOVODZ-DOTOQJQBSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970969 288154969 /nfs/dbraw/zinc/15/49/69/288154969.db2.gz CWTZOXFSCOVODZ-DOTOQJQBSA-N 2 2 290.426 3.473 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527633274 288178795 /nfs/dbraw/zinc/17/87/95/288178795.db2.gz XKRAMKOVPIIWMJ-UHFFFAOYSA-N 2 2 292.370 3.341 20 0 CGADLP c1cc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2[nH]1 ZINC000527723924 288192788 /nfs/dbraw/zinc/19/27/88/288192788.db2.gz CTDYNSSYIMJBQJ-AEFFLSMTSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2[nH]1 ZINC000527723924 288192790 /nfs/dbraw/zinc/19/27/90/288192790.db2.gz CTDYNSSYIMJBQJ-AEFFLSMTSA-N 2 2 283.419 3.274 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368102168 280333975 /nfs/dbraw/zinc/33/39/75/280333975.db2.gz MSVMXIMTRQOCST-PBHICJAKSA-N 2 2 269.392 3.254 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368102168 280333976 /nfs/dbraw/zinc/33/39/76/280333976.db2.gz MSVMXIMTRQOCST-PBHICJAKSA-N 2 2 269.392 3.254 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)cn1 ZINC000528848352 288223680 /nfs/dbraw/zinc/22/36/80/288223680.db2.gz BBANDZGRAIGJLN-SFHVURJKSA-N 2 2 297.402 3.077 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000336102744 280427664 /nfs/dbraw/zinc/42/76/64/280427664.db2.gz MZRXUDJIEWNZMF-GOEBONIOSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537675 288260231 /nfs/dbraw/zinc/26/02/31/288260231.db2.gz HIOZWBMKNDUKCF-AVGNSLFASA-N 2 2 274.399 3.273 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000423396349 280970254 /nfs/dbraw/zinc/97/02/54/280970254.db2.gz NRZSARQRNQFHDK-GBESFXJTSA-N 2 2 298.430 3.244 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC1CC([NH+]2CCCCC2)C1 ZINC000530377252 288302247 /nfs/dbraw/zinc/30/22/47/288302247.db2.gz PAEXHWXVTSQWBM-UHFFFAOYSA-N 2 2 295.430 3.394 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346804339 281271586 /nfs/dbraw/zinc/27/15/86/281271586.db2.gz XIQSCOJPNXPSQP-XYPHTWIQSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346804339 281271587 /nfs/dbraw/zinc/27/15/87/281271587.db2.gz XIQSCOJPNXPSQP-XYPHTWIQSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453575297 281483217 /nfs/dbraw/zinc/48/32/17/281483217.db2.gz DGUBDBKBYXZSEY-HNNXBMFYSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)cc1)CCC2 ZINC000377833289 281547476 /nfs/dbraw/zinc/54/74/76/281547476.db2.gz YCZJMBWUVNHVQA-MRXNPFEDSA-N 2 2 269.392 3.167 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531722731 288343094 /nfs/dbraw/zinc/34/30/94/288343094.db2.gz FBVKMGMVPKLLPW-HOCLYGCPSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(OC(C)(C)C)c1 ZINC000531722731 288343097 /nfs/dbraw/zinc/34/30/97/288343097.db2.gz FBVKMGMVPKLLPW-HOCLYGCPSA-N 2 2 290.451 3.212 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194805 288354593 /nfs/dbraw/zinc/35/45/93/288354593.db2.gz KZGDYAISUADISW-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194805 288354595 /nfs/dbraw/zinc/35/45/95/288354595.db2.gz KZGDYAISUADISW-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540636 288366080 /nfs/dbraw/zinc/36/60/80/288366080.db2.gz AJGCBJVNARCUCD-OXJNMPFZSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(-c2ccccc2)c1 ZINC000532540636 288366083 /nfs/dbraw/zinc/36/60/83/288366083.db2.gz AJGCBJVNARCUCD-OXJNMPFZSA-N 2 2 294.442 3.436 20 0 CGADLP CC(C)OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000533338796 288376481 /nfs/dbraw/zinc/37/64/81/288376481.db2.gz SLWYIPJODPTNAK-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP COc1ccc2oc(C[NH2+]CCCCn3cc[nH+]c3)cc2c1 ZINC000536527634 288483490 /nfs/dbraw/zinc/48/34/90/288483490.db2.gz NXRIGSVMBZDARW-UHFFFAOYSA-N 2 2 299.374 3.208 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)o1 ZINC000423503741 288547644 /nfs/dbraw/zinc/54/76/44/288547644.db2.gz NDFOWHTWDSIEJL-BXUZGUMPSA-N 2 2 250.386 3.010 20 0 CGADLP CCC1CC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000551516010 289118779 /nfs/dbraw/zinc/11/87/79/289118779.db2.gz KNYIUNIFNMUTPG-LYSZQXJVSA-N 2 2 260.425 3.456 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000551533031 289120624 /nfs/dbraw/zinc/12/06/24/289120624.db2.gz IYPMTVJAMZEUOF-ZTFGCOKTSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000551533031 289120627 /nfs/dbraw/zinc/12/06/27/289120627.db2.gz IYPMTVJAMZEUOF-ZTFGCOKTSA-N 2 2 290.451 3.117 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000552072538 289159868 /nfs/dbraw/zinc/15/98/68/289159868.db2.gz OPKVTBCKFSTJPV-HDJSIYSDSA-N 2 2 257.381 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@@H+]1C1CC1 ZINC000552568523 289193244 /nfs/dbraw/zinc/19/32/44/289193244.db2.gz OYMOISSNSUJIET-BXUZGUMPSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@H+]1C1CC1 ZINC000552568523 289193246 /nfs/dbraw/zinc/19/32/46/289193246.db2.gz OYMOISSNSUJIET-BXUZGUMPSA-N 2 2 296.817 3.236 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000553648911 289232974 /nfs/dbraw/zinc/23/29/74/289232974.db2.gz NTTXRTPBQUBXIO-AWEZNQCLSA-N 2 2 266.404 3.251 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000553648911 289232977 /nfs/dbraw/zinc/23/29/77/289232977.db2.gz NTTXRTPBQUBXIO-AWEZNQCLSA-N 2 2 266.404 3.251 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554829284 289312022 /nfs/dbraw/zinc/31/20/22/289312022.db2.gz KWYONTXMTSPCOX-ZWKOTPCHSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554829284 289312023 /nfs/dbraw/zinc/31/20/23/289312023.db2.gz KWYONTXMTSPCOX-ZWKOTPCHSA-N 2 2 296.499 3.247 20 0 CGADLP COC[C@H](C)C[NH2+]c1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000555246723 289335689 /nfs/dbraw/zinc/33/56/89/289335689.db2.gz HCLFACCJYQKRMZ-GFCCVEGCSA-N 2 2 273.380 3.184 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H]1c1ccccc1 ZINC000556126806 289372373 /nfs/dbraw/zinc/37/23/73/289372373.db2.gz VZCLSTSGSICMKB-RTBURBONSA-N 2 2 280.415 3.264 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H]1c1ccccc1 ZINC000556126806 289372374 /nfs/dbraw/zinc/37/23/74/289372374.db2.gz VZCLSTSGSICMKB-RTBURBONSA-N 2 2 280.415 3.264 20 0 CGADLP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000557447032 289440540 /nfs/dbraw/zinc/44/05/40/289440540.db2.gz XBMVTBJECAYKMB-QZTJIDSGSA-N 2 2 290.451 3.261 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000561778724 289654819 /nfs/dbraw/zinc/65/48/19/289654819.db2.gz VWICPIRFBHNOAC-ZNMIVQPWSA-N 2 2 272.502 3.228 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562065486 289674034 /nfs/dbraw/zinc/67/40/34/289674034.db2.gz SIUJCFXQDUUTFD-FSDCSDTHSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422846569 290023837 /nfs/dbraw/zinc/02/38/37/290023837.db2.gz QCYYUCXGHZOXEI-LEWSCRJBSA-N 2 2 280.412 3.093 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000228828920 294660359 /nfs/dbraw/zinc/66/03/59/294660359.db2.gz SFMWDBVLTQZCOS-UHFFFAOYSA-N 2 2 292.389 3.431 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+]1CCC(C)CC1 ZINC000337990894 298793893 /nfs/dbraw/zinc/79/38/93/298793893.db2.gz FUMYQIBBICGERJ-PVAVHDDUSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000359005299 302209118 /nfs/dbraw/zinc/20/91/18/302209118.db2.gz QSWVJPJDEADNDB-FZCLSBEQSA-N 2 2 290.451 3.001 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC13CCC3)CCC2 ZINC000336212714 302325077 /nfs/dbraw/zinc/32/50/77/302325077.db2.gz HTPNENHPIBKBKU-GJZGRUSLSA-N 2 2 273.424 3.381 20 0 CGADLP COc1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000563672981 322006606 /nfs/dbraw/zinc/00/66/06/322006606.db2.gz HKLKLHFIPXCBSY-CYBMUJFWSA-N 2 2 297.402 3.140 20 0 CGADLP COc1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000563672981 322006608 /nfs/dbraw/zinc/00/66/08/322006608.db2.gz HKLKLHFIPXCBSY-CYBMUJFWSA-N 2 2 297.402 3.140 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)n1C ZINC000566864643 322141453 /nfs/dbraw/zinc/14/14/53/322141453.db2.gz KXMOJKSYZRKVEC-GFCCVEGCSA-N 2 2 271.355 3.034 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000567574843 322168348 /nfs/dbraw/zinc/16/83/48/322168348.db2.gz PQRGSKDBQAEYMW-HPBDAGMYSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000567574843 322168350 /nfs/dbraw/zinc/16/83/50/322168350.db2.gz PQRGSKDBQAEYMW-HPBDAGMYSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCC2)O1 ZINC000567811004 322178716 /nfs/dbraw/zinc/17/87/16/322178716.db2.gz OPVORFKNLHRYQJ-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC2(CCC2)O1 ZINC000567811004 322178717 /nfs/dbraw/zinc/17/87/17/322178717.db2.gz OPVORFKNLHRYQJ-OAHLLOKOSA-N 2 2 297.402 3.016 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)n1C ZINC000568414712 322208700 /nfs/dbraw/zinc/20/87/00/322208700.db2.gz SSQHIBAYUZEHAE-MRXNPFEDSA-N 2 2 297.406 3.092 20 0 CGADLP C[C@H]([NH2+]CCOCC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000568695579 322218850 /nfs/dbraw/zinc/21/88/50/322218850.db2.gz QUHGCBPFCBRAQH-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)[C@H](C)O)c1ccc(Cl)cc1 ZINC000571316190 322295629 /nfs/dbraw/zinc/29/56/29/322295629.db2.gz XFGJMFDXTMOPRJ-HEHGZKQESA-N 2 2 298.858 3.082 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)[C@H](C)O)c1ccc(Cl)cc1 ZINC000571316190 322295630 /nfs/dbraw/zinc/29/56/30/322295630.db2.gz XFGJMFDXTMOPRJ-HEHGZKQESA-N 2 2 298.858 3.082 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572732001 322352322 /nfs/dbraw/zinc/35/23/22/322352322.db2.gz MDCDJKUIHSDRGY-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000572732001 322352325 /nfs/dbraw/zinc/35/23/25/322352325.db2.gz MDCDJKUIHSDRGY-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000572941384 322362462 /nfs/dbraw/zinc/36/24/62/322362462.db2.gz BBVCEEJVSLYSNE-INIZCTEOSA-N 2 2 290.357 3.317 20 0 CGADLP Cc1[nH]c(CNc2ccc(N3CCCCC3)c[nH+]2)[nH+]c1C ZINC000572986500 322365267 /nfs/dbraw/zinc/36/52/67/322365267.db2.gz KAXUEEGYCDFKDB-UHFFFAOYSA-N 2 2 285.395 3.024 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000573115729 322370886 /nfs/dbraw/zinc/37/08/86/322370886.db2.gz KNNXAWDUXILKRR-UHFFFAOYSA-N 2 2 270.351 3.351 20 0 CGADLP Cc1ccccc1C[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000573650645 322399160 /nfs/dbraw/zinc/39/91/60/322399160.db2.gz NIOPDAYFJTYVNP-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000573650645 322399162 /nfs/dbraw/zinc/39/91/62/322399162.db2.gz NIOPDAYFJTYVNP-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000575795212 322490404 /nfs/dbraw/zinc/49/04/04/322490404.db2.gz YSDGBNUSHXSWJW-SJLPKXTDSA-N 3 2 295.515 3.007 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000582719805 329129884 /nfs/dbraw/zinc/12/98/84/329129884.db2.gz QTSGADYHUWKEBX-BHIYHBOVSA-N 2 2 295.430 3.397 20 0 CGADLP C[NH2+]CC[N@H+](C)CCCc1c(Cl)cccc1Cl ZINC000576943897 335267577 /nfs/dbraw/zinc/26/75/77/335267577.db2.gz LUPOXIYOGMAASG-UHFFFAOYSA-N 2 2 275.223 3.077 20 0 CGADLP C[NH2+]CC[N@@H+](C)CCCc1c(Cl)cccc1Cl ZINC000576943897 335267578 /nfs/dbraw/zinc/26/75/78/335267578.db2.gz LUPOXIYOGMAASG-UHFFFAOYSA-N 2 2 275.223 3.077 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@H]21 ZINC000577746618 335396240 /nfs/dbraw/zinc/39/62/40/335396240.db2.gz ZVHLJXDPYNCBJG-WMLDXEAASA-N 2 2 299.393 3.294 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@H]21 ZINC000577746618 335396242 /nfs/dbraw/zinc/39/62/42/335396242.db2.gz ZVHLJXDPYNCBJG-WMLDXEAASA-N 2 2 299.393 3.294 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H](c1ccccc1)[NH+](C)C ZINC000579378974 335743479 /nfs/dbraw/zinc/74/34/79/335743479.db2.gz JHIFEIJMHBIEFI-XEIOYGOASA-N 2 2 272.436 3.456 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000181568907 335771094 /nfs/dbraw/zinc/77/10/94/335771094.db2.gz XNKNNBRRKOHTGQ-DLBZAZTESA-N 2 2 299.418 3.166 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)n1C ZINC000581201314 336024023 /nfs/dbraw/zinc/02/40/23/336024023.db2.gz CDQXFAITNRMFPL-SNVBAGLBSA-N 2 2 263.772 3.233 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194834665 336039195 /nfs/dbraw/zinc/03/91/95/336039195.db2.gz UZTSHQKCSNWXLH-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194834665 336039196 /nfs/dbraw/zinc/03/91/96/336039196.db2.gz UZTSHQKCSNWXLH-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1F ZINC000384687989 336129210 /nfs/dbraw/zinc/12/92/10/336129210.db2.gz WESNHOIBOPBECO-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)s1)C1(C[NH3+])CCC1 ZINC000385188774 336141649 /nfs/dbraw/zinc/14/16/49/336141649.db2.gz DZHXGDCOTZLROQ-UHFFFAOYSA-N 2 2 266.454 3.359 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)s1)C1(C[NH3+])CCC1 ZINC000385188774 336141650 /nfs/dbraw/zinc/14/16/50/336141650.db2.gz DZHXGDCOTZLROQ-UHFFFAOYSA-N 2 2 266.454 3.359 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000436444342 533847190 /nfs/dbraw/zinc/84/71/90/533847190.db2.gz MZQOTOGBHILOFA-QWHCGFSZSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000436444342 533847198 /nfs/dbraw/zinc/84/71/98/533847198.db2.gz MZQOTOGBHILOFA-QWHCGFSZSA-N 2 2 285.391 3.138 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423263504 533884073 /nfs/dbraw/zinc/88/40/73/533884073.db2.gz OOQYBQRBPUGLLK-YPMHNXCESA-N 2 2 284.831 3.373 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449109669 533892066 /nfs/dbraw/zinc/89/20/66/533892066.db2.gz XHLNTIAEDAFIPB-BXKDBHETSA-N 2 2 286.341 3.021 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423232962 533898272 /nfs/dbraw/zinc/89/82/72/533898272.db2.gz CXDWSFVIKAPQGS-LRDDRELGSA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@@H+]1C1CC1 ZINC000421338229 533957698 /nfs/dbraw/zinc/95/76/98/533957698.db2.gz BWNJNIDWKNZPAR-DYVFJYSZSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[N@H+]1C1CC1 ZINC000421338229 533957706 /nfs/dbraw/zinc/95/77/06/533957706.db2.gz BWNJNIDWKNZPAR-DYVFJYSZSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccn(C)n1 ZINC000414120359 533976718 /nfs/dbraw/zinc/97/67/18/533976718.db2.gz XNEFUGIZXSFDMM-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cccnc3o2)C[C@H]1n1cc[nH+]c1 ZINC000449049802 534036742 /nfs/dbraw/zinc/03/67/42/534036742.db2.gz SDNFDPSPLSBQDP-CZUORRHYSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3o2)C[C@H]1n1cc[nH+]c1 ZINC000449049802 534036755 /nfs/dbraw/zinc/03/67/55/534036755.db2.gz SDNFDPSPLSBQDP-CZUORRHYSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423358242 534086339 /nfs/dbraw/zinc/08/63/39/534086339.db2.gz JAWJKRMJZOHTCA-HONMWMINSA-N 2 2 296.867 3.465 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354891 534107402 /nfs/dbraw/zinc/10/74/02/534107402.db2.gz SJUADOKUFFLKHS-DZGCQCFKSA-N 2 2 282.378 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354891 534107413 /nfs/dbraw/zinc/10/74/13/534107413.db2.gz SJUADOKUFFLKHS-DZGCQCFKSA-N 2 2 282.378 3.457 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000358824184 534464712 /nfs/dbraw/zinc/46/47/12/534464712.db2.gz KJANQSBNLNCIEY-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)oc2c1 ZINC000425937563 534471403 /nfs/dbraw/zinc/47/14/03/534471403.db2.gz SDFHLSMHXHUKRT-CYBMUJFWSA-N 2 2 269.348 3.289 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310097 520885502 /nfs/dbraw/zinc/88/55/02/520885502.db2.gz XITBUNKBFCMLOT-HOCLYGCPSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310097 520885510 /nfs/dbraw/zinc/88/55/10/520885510.db2.gz XITBUNKBFCMLOT-HOCLYGCPSA-N 2 2 261.413 3.197 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OC(F)F)CCCCC1 ZINC000414848377 534549409 /nfs/dbraw/zinc/54/94/09/534549409.db2.gz VUEYKYOFQIVDCO-UHFFFAOYSA-N 2 2 284.350 3.039 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(OC)c1 ZINC000156556193 522632199 /nfs/dbraw/zinc/63/21/99/522632199.db2.gz REKWESCHEREUEK-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(OC)c1 ZINC000156556193 522632203 /nfs/dbraw/zinc/63/22/03/522632203.db2.gz REKWESCHEREUEK-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000049554221 524168932 /nfs/dbraw/zinc/16/89/32/524168932.db2.gz ICPYIJQOCHFXRE-MNOVXSKESA-N 2 2 272.795 3.470 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000049551905 524474786 /nfs/dbraw/zinc/47/47/86/524474786.db2.gz MNBFBCRFEUFAAO-JTQLQIEISA-N 2 2 275.223 3.423 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000151155567 524666036 /nfs/dbraw/zinc/66/60/36/524666036.db2.gz GGVZOPSXCMEYMN-GOSISDBHSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156379984 525146896 /nfs/dbraw/zinc/14/68/96/525146896.db2.gz GPBWANWYLABTJU-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156379984 525146904 /nfs/dbraw/zinc/14/69/04/525146904.db2.gz GPBWANWYLABTJU-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP c1cc(NCCCCC[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000110599649 526433130 /nfs/dbraw/zinc/43/31/30/526433130.db2.gz UTEOECWJZOHTRQ-UHFFFAOYSA-N 2 2 288.439 3.422 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473832 526470050 /nfs/dbraw/zinc/47/00/50/526470050.db2.gz XHDKNYKDBUSURF-MRXNPFEDSA-N 2 2 267.376 3.016 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000103473832 526470054 /nfs/dbraw/zinc/47/00/54/526470054.db2.gz XHDKNYKDBUSURF-MRXNPFEDSA-N 2 2 267.376 3.016 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428288646 527477386 /nfs/dbraw/zinc/47/73/86/527477386.db2.gz YGYWPUPUNYMMFJ-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000428288646 527477390 /nfs/dbraw/zinc/47/73/90/527477390.db2.gz YGYWPUPUNYMMFJ-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100869 527683000 /nfs/dbraw/zinc/68/30/00/527683000.db2.gz IPVCXQYJTOREEI-ZDUSSCGKSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100869 527683003 /nfs/dbraw/zinc/68/30/03/527683003.db2.gz IPVCXQYJTOREEI-ZDUSSCGKSA-N 2 2 263.429 3.317 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885680 527822757 /nfs/dbraw/zinc/82/27/57/527822757.db2.gz HKCXYFZRUDGIPA-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885680 527822763 /nfs/dbraw/zinc/82/27/63/527822763.db2.gz HKCXYFZRUDGIPA-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885680 527822768 /nfs/dbraw/zinc/82/27/68/527822768.db2.gz HKCXYFZRUDGIPA-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885680 527822773 /nfs/dbraw/zinc/82/27/73/527822773.db2.gz HKCXYFZRUDGIPA-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423356775 527883523 /nfs/dbraw/zinc/88/35/23/527883523.db2.gz KNTUNLQJBHFSEP-XYPHTWIQSA-N 2 2 258.409 3.213 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185974 527974430 /nfs/dbraw/zinc/97/44/30/527974430.db2.gz PBGKQRWDJLNLPI-SLEUVZQESA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000414185974 527974432 /nfs/dbraw/zinc/97/44/32/527974432.db2.gz PBGKQRWDJLNLPI-SLEUVZQESA-N 2 2 266.816 3.331 20 0 CGADLP CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000119719384 528131100 /nfs/dbraw/zinc/13/11/00/528131100.db2.gz BVLPLTNFXWTJIP-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000119719384 528131107 /nfs/dbraw/zinc/13/11/07/528131107.db2.gz BVLPLTNFXWTJIP-GOSISDBHSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000423271524 528310266 /nfs/dbraw/zinc/31/02/66/528310266.db2.gz XWYSQAQDACUHNZ-NEPJUHHUSA-N 2 2 286.366 3.312 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423272934 528312883 /nfs/dbraw/zinc/31/28/83/528312883.db2.gz ZRNOAGPHMQGBCB-KOLCDFICSA-N 2 2 260.834 3.426 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cs1 ZINC000425934937 528313572 /nfs/dbraw/zinc/31/35/72/528313572.db2.gz BEGZQDGCEBWXKG-RYUDHWBXSA-N 2 2 269.458 3.115 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423242428 528331739 /nfs/dbraw/zinc/33/17/39/528331739.db2.gz VQCQNPTYWJHFBW-LBPRGKRZSA-N 2 2 260.356 3.239 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423251799 528334693 /nfs/dbraw/zinc/33/46/93/528334693.db2.gz WYCAXJVGVXXPCY-LJQANCHMSA-N 2 2 298.430 3.178 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423240491 528335701 /nfs/dbraw/zinc/33/57/01/528335701.db2.gz HEFSWFAQOBLDSM-AWEZNQCLSA-N 2 2 286.341 3.356 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423393950 528420981 /nfs/dbraw/zinc/42/09/81/528420981.db2.gz MNCVZNDAFREZGO-DYVFJYSZSA-N 2 2 256.393 3.474 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423393020 528422085 /nfs/dbraw/zinc/42/20/85/528422085.db2.gz YAPPATLISXDMPX-CHWSQXEVSA-N 2 2 252.377 3.091 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)cc1)C1CC1 ZINC000155838097 528513026 /nfs/dbraw/zinc/51/30/26/528513026.db2.gz WMENOYJOBSSHPM-HNNXBMFYSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccc(OC)cc1)C1CC1 ZINC000155838097 528513032 /nfs/dbraw/zinc/51/30/32/528513032.db2.gz WMENOYJOBSSHPM-HNNXBMFYSA-N 2 2 290.451 3.090 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423314552 528513291 /nfs/dbraw/zinc/51/32/91/528513291.db2.gz WFGBXIOJRHEJEJ-LBPRGKRZSA-N 2 2 282.453 3.067 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423318004 528517168 /nfs/dbraw/zinc/51/71/68/528517168.db2.gz YYRAKTFWJYAUKG-HNNXBMFYSA-N 2 2 266.816 3.380 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423264713 528518822 /nfs/dbraw/zinc/51/88/22/528518822.db2.gz QERXPKOOSGMGBB-UKRRQHHQSA-N 2 2 271.408 3.259 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423258834 528518948 /nfs/dbraw/zinc/51/89/48/528518948.db2.gz CPAHVLJSHKJCJJ-TZMCWYRMSA-N 2 2 260.381 3.457 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423077466 528569500 /nfs/dbraw/zinc/56/95/00/528569500.db2.gz TXYVYNBINYETOL-PBHICJAKSA-N 2 2 275.440 3.129 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc21 ZINC000423244436 528700727 /nfs/dbraw/zinc/70/07/27/528700727.db2.gz XMGIBKLBKMPVEV-GXTWGEPZSA-N 2 2 288.391 3.234 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423543451 528720816 /nfs/dbraw/zinc/72/08/16/528720816.db2.gz BWHBESOLSRAVTF-GDBMZVCRSA-N 2 2 276.424 3.268 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423543455 528722075 /nfs/dbraw/zinc/72/20/75/528722075.db2.gz BWHBESOLSRAVTF-ZBFHGGJFSA-N 2 2 276.424 3.268 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CS1 ZINC000365178964 528767595 /nfs/dbraw/zinc/76/75/95/528767595.db2.gz VGHOZISJTWECCP-FMKPAKJESA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CS1 ZINC000365178964 528767603 /nfs/dbraw/zinc/76/76/03/528767603.db2.gz VGHOZISJTWECCP-FMKPAKJESA-N 2 2 282.497 3.123 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423300356 528820127 /nfs/dbraw/zinc/82/01/27/528820127.db2.gz RJRXQIXKIKDFQK-JQWIXIFHSA-N 2 2 256.340 3.133 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423286811 528949346 /nfs/dbraw/zinc/94/93/46/528949346.db2.gz IXGKWQNKWYZDSN-JTQLQIEISA-N 2 2 256.340 3.133 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423301161 528958771 /nfs/dbraw/zinc/95/87/71/528958771.db2.gz SQBLCGYIKNMKCD-HUUCEWRRSA-N 2 2 284.831 3.135 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423238298 529175014 /nfs/dbraw/zinc/17/50/14/529175014.db2.gz JASAMSDLMVUKNU-QZTJIDSGSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423275339 529201954 /nfs/dbraw/zinc/20/19/54/529201954.db2.gz LRTXRMVMBPHAOI-OLZOCXBDSA-N 2 2 284.350 3.066 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368104254 529204025 /nfs/dbraw/zinc/20/40/25/529204025.db2.gz DESHQRVOBWZXOB-ZIAGYGMSSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368104254 529204026 /nfs/dbraw/zinc/20/40/26/529204026.db2.gz DESHQRVOBWZXOB-ZIAGYGMSSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000423544339 529206913 /nfs/dbraw/zinc/20/69/13/529206913.db2.gz CNVAPWVQFHDIIA-SWLSCSKDSA-N 2 2 268.351 3.148 20 0 CGADLP CCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932141 534997143 /nfs/dbraw/zinc/99/71/43/534997143.db2.gz UTUWFLHPFYUHOF-UHFFFAOYSA-N 2 2 261.413 3.220 20 0 CGADLP CC(C)CC1(C)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459540124 535384329 /nfs/dbraw/zinc/38/43/29/535384329.db2.gz UKVULJBSOWSFLF-UHFFFAOYSA-N 2 2 263.429 3.111 20 0 CGADLP CCCc1ccc2[nH+]ccc(NCc3[nH+]ccn3CC)c2c1 ZINC000450677152 535427054 /nfs/dbraw/zinc/42/70/54/535427054.db2.gz GBQJPDCFVXSAHV-UHFFFAOYSA-N 2 2 294.402 3.438 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495013267 535904403 /nfs/dbraw/zinc/90/44/03/535904403.db2.gz ALQPOZCJNTYBFN-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495013267 535904406 /nfs/dbraw/zinc/90/44/06/535904406.db2.gz ALQPOZCJNTYBFN-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP CCc1cc(NCc2c[nH+]cn2C)c2ccccc2[nH+]1 ZINC000291088627 572335364 /nfs/dbraw/zinc/33/53/64/572335364.db2.gz JAOSWVZNOPJUPG-UHFFFAOYSA-N 2 2 266.348 3.143 20 0 CGADLP Cc1ccc(NCCNc2ccc3ccccc3[nH+]2)[nH+]c1 ZINC000742254385 572562212 /nfs/dbraw/zinc/56/22/12/572562212.db2.gz BSTSMDPZQFJZTB-UHFFFAOYSA-N 2 2 278.359 3.462 20 0 CGADLP C[C@@H]([NH2+]Cc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391512 572574794 /nfs/dbraw/zinc/57/47/94/572574794.db2.gz KRGVAGRTKNOSPC-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CCCC[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000726697922 572592967 /nfs/dbraw/zinc/59/29/67/572592967.db2.gz HTGHATMJHWFKMI-QGZVFWFLSA-N 2 2 276.424 3.222 20 0 CGADLP C[N@H+](C[Si](C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733996648 572622238 /nfs/dbraw/zinc/62/22/38/572622238.db2.gz NOAZXJHSPUWNKR-UHFFFAOYSA-N 2 2 290.527 3.460 20 0 CGADLP C[N@@H+](C[Si](C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733996648 572622243 /nfs/dbraw/zinc/62/22/43/572622243.db2.gz NOAZXJHSPUWNKR-UHFFFAOYSA-N 2 2 290.527 3.460 20 0 CGADLP Cc1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)sc1C ZINC000743499220 572666846 /nfs/dbraw/zinc/66/68/46/572666846.db2.gz VNGMNGNXFPNBIL-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP c1csc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000744170829 572717268 /nfs/dbraw/zinc/71/72/68/572717268.db2.gz ORTCHJWOPKQGEG-UHFFFAOYSA-N 2 2 273.405 3.220 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC000811486776 617626562 /nfs/dbraw/zinc/62/65/62/617626562.db2.gz NOJNGGISIGVNMA-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1Cl ZINC000811486776 617626563 /nfs/dbraw/zinc/62/65/63/617626563.db2.gz NOJNGGISIGVNMA-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@]2(C)C1 ZINC000933732392 618309958 /nfs/dbraw/zinc/30/99/58/618309958.db2.gz PVSDZLNEYDMUIP-ZBFHGGJFSA-N 2 2 280.362 3.008 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@]2(C)C1 ZINC000933732392 618309969 /nfs/dbraw/zinc/30/99/69/618309969.db2.gz PVSDZLNEYDMUIP-ZBFHGGJFSA-N 2 2 280.362 3.008 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@]2(C)C1 ZINC000933732392 618309981 /nfs/dbraw/zinc/30/99/81/618309981.db2.gz PVSDZLNEYDMUIP-ZBFHGGJFSA-N 2 2 280.362 3.008 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@]2(C)C1 ZINC000933732392 618309984 /nfs/dbraw/zinc/30/99/84/618309984.db2.gz PVSDZLNEYDMUIP-ZBFHGGJFSA-N 2 2 280.362 3.008 20 0 CGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000926372705 618581148 /nfs/dbraw/zinc/58/11/48/618581148.db2.gz QJOHOYKQQZOGCB-AHCXZYCDSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000926372705 618581155 /nfs/dbraw/zinc/58/11/55/618581155.db2.gz QJOHOYKQQZOGCB-AHCXZYCDSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000926372708 618581490 /nfs/dbraw/zinc/58/14/90/618581490.db2.gz QJOHOYKQQZOGCB-ILOCAZANSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000926372708 618581503 /nfs/dbraw/zinc/58/15/03/618581503.db2.gz QJOHOYKQQZOGCB-ILOCAZANSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449420 618686635 /nfs/dbraw/zinc/68/66/35/618686635.db2.gz GUPMCMDTTZSSDQ-QWHCGFSZSA-N 2 2 263.429 3.173 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000892451138 618789018 /nfs/dbraw/zinc/78/90/18/618789018.db2.gz OSVOZMXBHSOBPT-UHFFFAOYSA-N 2 2 293.455 3.290 20 0 CGADLP CCc1onc(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000892451138 618789019 /nfs/dbraw/zinc/78/90/19/618789019.db2.gz OSVOZMXBHSOBPT-UHFFFAOYSA-N 2 2 293.455 3.290 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(C(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000892713717 618919158 /nfs/dbraw/zinc/91/91/58/618919158.db2.gz SCFFEFWAHYUDQM-LLVKDONJSA-N 2 2 297.324 3.386 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000182625257 619038426 /nfs/dbraw/zinc/03/84/26/619038426.db2.gz XDDNQFJEXHLXHX-KRWDZBQOSA-N 2 2 275.440 3.285 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)ccc2[nH]1 ZINC000925670583 619122427 /nfs/dbraw/zinc/12/24/27/619122427.db2.gz LTAXXWUTLDMVAZ-KRWDZBQOSA-N 2 2 283.419 3.241 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000094341955 619131272 /nfs/dbraw/zinc/13/12/72/619131272.db2.gz DTSGBHYLMABGGT-FZMZJTMJSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000094341955 619131275 /nfs/dbraw/zinc/13/12/75/619131275.db2.gz DTSGBHYLMABGGT-FZMZJTMJSA-N 2 2 289.810 3.057 20 0 CGADLP CCc1cc(NC2CC([NH+]3CCCCC3)C2)nc(CC)[nH+]1 ZINC000893623298 619245891 /nfs/dbraw/zinc/24/58/91/619245891.db2.gz JGVOIZBYOUOTKN-UHFFFAOYSA-N 2 2 288.439 3.030 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000054080302 619253735 /nfs/dbraw/zinc/25/37/35/619253735.db2.gz LIXALOFBXLHLNO-DZGCQCFKSA-N 2 2 263.429 3.466 20 0 CGADLP CC[N@H+](Cc1ccccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261697408 619357211 /nfs/dbraw/zinc/35/72/11/619357211.db2.gz CAAKETNZNRVMKA-HNNXBMFYSA-N 2 2 266.816 3.162 20 0 CGADLP CC[N@@H+](Cc1ccccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261697408 619357213 /nfs/dbraw/zinc/35/72/13/619357213.db2.gz CAAKETNZNRVMKA-HNNXBMFYSA-N 2 2 266.816 3.162 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050664 619359131 /nfs/dbraw/zinc/35/91/31/619359131.db2.gz SNYKQUPJGXQMDN-TZMCWYRMSA-N 2 2 282.453 3.164 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050664 619359134 /nfs/dbraw/zinc/35/91/34/619359134.db2.gz SNYKQUPJGXQMDN-TZMCWYRMSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050664 619359137 /nfs/dbraw/zinc/35/91/37/619359137.db2.gz SNYKQUPJGXQMDN-TZMCWYRMSA-N 2 2 282.453 3.164 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(SC)o2)[C@H](C)C1 ZINC000894050664 619359140 /nfs/dbraw/zinc/35/91/40/619359140.db2.gz SNYKQUPJGXQMDN-TZMCWYRMSA-N 2 2 282.453 3.164 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000924925540 619442985 /nfs/dbraw/zinc/44/29/85/619442985.db2.gz HBVZLIKDIFHEAO-FOLVSLTJSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377004 619815993 /nfs/dbraw/zinc/81/59/93/619815993.db2.gz DQTRRHKMNGBNIE-CZUORRHYSA-N 2 2 293.430 3.081 20 0 CGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377004 619815996 /nfs/dbraw/zinc/81/59/96/619815996.db2.gz DQTRRHKMNGBNIE-CZUORRHYSA-N 2 2 293.430 3.081 20 0 CGADLP CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000262228485 619818375 /nfs/dbraw/zinc/81/83/75/619818375.db2.gz NOMKWNPOEGYVDE-RBSFLKMASA-N 2 2 293.480 3.106 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cn1 ZINC000147755349 619897637 /nfs/dbraw/zinc/89/76/37/619897637.db2.gz AAKWJJCHZHITSV-IUODEOHRSA-N 2 2 290.386 3.183 20 0 CGADLP COc1cccc2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)oc21 ZINC000067500611 620143901 /nfs/dbraw/zinc/14/39/01/620143901.db2.gz OBVAMGUQGBSQNO-ZDUSSCGKSA-N 2 2 299.374 3.064 20 0 CGADLP Cc1sccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982717 620462096 /nfs/dbraw/zinc/46/20/96/620462096.db2.gz PMPKEZNYFWICAM-UHFFFAOYSA-N 2 2 264.438 3.163 20 0 CGADLP Fc1ccc(/C=C\C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982025 620462319 /nfs/dbraw/zinc/46/23/19/620462319.db2.gz VBBXQGWTDVQQHQ-IHWYPQMZSA-N 2 2 288.410 3.445 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902319124 621241825 /nfs/dbraw/zinc/24/18/25/621241825.db2.gz SDOOKHUNXWEFQB-GFCCVEGCSA-N 2 2 295.496 3.308 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccnc1 ZINC000902432499 621315965 /nfs/dbraw/zinc/31/59/65/621315965.db2.gz IGCMPMHCLNHWGG-KZNAEPCWSA-N 2 2 281.403 3.137 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000902437908 621319063 /nfs/dbraw/zinc/31/90/63/621319063.db2.gz KXMIWZQUOYHHIM-GUDVDZBRSA-N 2 2 293.414 3.148 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C ZINC000902464601 621337587 /nfs/dbraw/zinc/33/75/87/621337587.db2.gz APJRVADCMKHVMN-YALNPMBYSA-N 2 2 258.409 3.155 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2sccc21 ZINC000902468226 621339351 /nfs/dbraw/zinc/33/93/51/621339351.db2.gz RTNSQGQVVBFNRA-ONCHEJIZSA-N 2 2 262.422 3.169 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CCC2)cc1 ZINC000902468179 621339367 /nfs/dbraw/zinc/33/93/67/621339367.db2.gz MGOIRDCZTNXSDB-MLHJIOFPSA-N 2 2 270.420 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468318 621339647 /nfs/dbraw/zinc/33/96/47/621339647.db2.gz UYMIOXLVHQRSHM-QRVDHSFSSA-N 2 2 295.430 3.336 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902741549 621422586 /nfs/dbraw/zinc/42/25/86/621422586.db2.gz DCPIUKJJHUWVSP-GHMZBOCLSA-N 2 2 298.312 3.036 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CCOCC1 ZINC000902758017 621427402 /nfs/dbraw/zinc/42/74/02/621427402.db2.gz BFUKKPJMLDMRSN-WMZOPIPTSA-N 2 2 296.499 3.292 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000902785491 621431012 /nfs/dbraw/zinc/43/10/12/621431012.db2.gz FYGQLPGJLRABRZ-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1CC1 ZINC000902785491 621431014 /nfs/dbraw/zinc/43/10/14/621431014.db2.gz FYGQLPGJLRABRZ-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000902764499 621431618 /nfs/dbraw/zinc/43/16/18/621431618.db2.gz FYUZLRRMHDQQCY-SJORKVTESA-N 2 2 299.418 3.310 20 0 CGADLP c1ccc(NCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)[nH+]c1 ZINC000902835286 621468352 /nfs/dbraw/zinc/46/83/52/621468352.db2.gz CYRPYHPRRDXWRJ-KBPBESRZSA-N 2 2 259.397 3.052 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841763 621470896 /nfs/dbraw/zinc/47/08/96/621470896.db2.gz RWTKTPXCKOOFDB-BFYDXBDKSA-N 2 2 299.418 3.074 20 0 CGADLP CS[C@@H](C)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902885471 621483649 /nfs/dbraw/zinc/48/36/49/621483649.db2.gz AUWWNANEFOTVIG-QWHCGFSZSA-N 2 2 275.421 3.274 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CCC1 ZINC000902962841 621507061 /nfs/dbraw/zinc/50/70/61/621507061.db2.gz AKOWJWIPEGDXQG-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP COCC[C@@H](C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903019108 621520546 /nfs/dbraw/zinc/52/05/46/621520546.db2.gz KIQMWFRYQJRWRX-CABCVRRESA-N 2 2 287.407 3.196 20 0 CGADLP CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000903012979 621534078 /nfs/dbraw/zinc/53/40/78/621534078.db2.gz WIWKEFLYHPHAAP-GLJUWKHASA-N 2 2 299.418 3.336 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903024957 621543095 /nfs/dbraw/zinc/54/30/95/621543095.db2.gz QIHOCSGZSGEICS-YQQAZPJKSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903029503 621543701 /nfs/dbraw/zinc/54/37/01/621543701.db2.gz LNXIBJMNVVULKB-DMRZNYOFSA-N 2 2 267.376 3.321 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]1C ZINC000903075373 621557943 /nfs/dbraw/zinc/55/79/43/621557943.db2.gz UUCODGGPHRABKC-QXSJWSMHSA-N 2 2 263.429 3.324 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903069986 621567913 /nfs/dbraw/zinc/56/79/13/621567913.db2.gz NOJAJMDNFZGGLZ-JSEZXORMSA-N 2 2 299.418 3.335 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903261213 621647311 /nfs/dbraw/zinc/64/73/11/621647311.db2.gz UHFCHXDMCQYITR-XWIAVFTESA-N 2 2 297.402 3.090 20 0 CGADLP C[C@H](Nc1cccc(C2CC2)[nH+]1)C1CC[NH+](C)CC1 ZINC000903270528 621656656 /nfs/dbraw/zinc/65/66/56/621656656.db2.gz ZYESPWWASCDLPN-LBPRGKRZSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@H+](CCc1ccccn1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904313194 621904171 /nfs/dbraw/zinc/90/41/71/621904171.db2.gz SPJBVFRKZZCGOU-OAHLLOKOSA-N 2 2 277.456 3.100 20 0 CGADLP CC[N@@H+](CCc1ccccn1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904313194 621904175 /nfs/dbraw/zinc/90/41/75/621904175.db2.gz SPJBVFRKZZCGOU-OAHLLOKOSA-N 2 2 277.456 3.100 20 0 CGADLP CC(C)OC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904336489 621908517 /nfs/dbraw/zinc/90/85/17/621908517.db2.gz QYIOPVTZJFOCOK-CQSZACIVSA-N 2 2 270.461 3.029 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1c(C)noc1C ZINC000904360855 621912204 /nfs/dbraw/zinc/91/22/04/621912204.db2.gz QLKDXPYGFXCZOV-UONOGXRCSA-N 2 2 281.444 3.486 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904357936 621912948 /nfs/dbraw/zinc/91/29/48/621912948.db2.gz FCPMLBOTKPZDNN-LBPRGKRZSA-N 2 2 274.330 3.226 20 0 CGADLP c1ccc(CSCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904430668 621921258 /nfs/dbraw/zinc/92/12/58/621921258.db2.gz SJKRBAFQVBHOSZ-KRWDZBQOSA-N 2 2 290.476 3.138 20 0 CGADLP c1ccc(CSCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904430668 621921260 /nfs/dbraw/zinc/92/12/60/621921260.db2.gz SJKRBAFQVBHOSZ-KRWDZBQOSA-N 2 2 290.476 3.138 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924852599 622722005 /nfs/dbraw/zinc/72/20/05/622722005.db2.gz KFLZTCZSDZYZMD-ZIAGYGMSSA-N 2 2 287.407 3.332 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163825117 622802553 /nfs/dbraw/zinc/80/25/53/622802553.db2.gz OUXWGOYPEAVFRW-CYBMUJFWSA-N 2 2 281.469 3.393 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000766272991 624044409 /nfs/dbraw/zinc/04/44/09/624044409.db2.gz MMCJDKFGXQNWIT-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1C ZINC000766272991 624044415 /nfs/dbraw/zinc/04/44/15/624044415.db2.gz MMCJDKFGXQNWIT-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CSCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000921608532 625696811 /nfs/dbraw/zinc/69/68/11/625696811.db2.gz IBORIGURXBKPHA-CQSZACIVSA-N 2 2 289.448 3.172 20 0 CGADLP CC(C)(C)c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)co1 ZINC000923353587 626148840 /nfs/dbraw/zinc/14/88/40/626148840.db2.gz KDXTVUKNDLVXDW-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)co1 ZINC000923353587 626148845 /nfs/dbraw/zinc/14/88/45/626148845.db2.gz KDXTVUKNDLVXDW-UHFFFAOYSA-N 2 2 293.455 3.313 20 0 CGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1c(F)cccc1Cl ZINC000923378792 626149051 /nfs/dbraw/zinc/14/90/51/626149051.db2.gz MJLMNZVDIJRUEE-SNVBAGLBSA-N 2 2 270.779 3.272 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)cc1 ZINC000766267079 627307446 /nfs/dbraw/zinc/30/74/46/627307446.db2.gz DPXOUTDLBBPNJK-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)cc1 ZINC000766267079 627307449 /nfs/dbraw/zinc/30/74/49/627307449.db2.gz DPXOUTDLBBPNJK-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766272007 627310423 /nfs/dbraw/zinc/31/04/23/627310423.db2.gz IWNNXFRIZVCWJQ-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766272007 627310424 /nfs/dbraw/zinc/31/04/24/627310424.db2.gz IWNNXFRIZVCWJQ-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000774135013 627949387 /nfs/dbraw/zinc/94/93/87/627949387.db2.gz RKFMPBZJBSDQFE-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000774135015 627949681 /nfs/dbraw/zinc/94/96/81/627949681.db2.gz RKFMPBZJBSDQFE-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000774443197 627991156 /nfs/dbraw/zinc/99/11/56/627991156.db2.gz ODOOXAZAVWXEST-DYVFJYSZSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000774443197 627991161 /nfs/dbraw/zinc/99/11/61/627991161.db2.gz ODOOXAZAVWXEST-DYVFJYSZSA-N 2 2 276.399 3.351 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000775310143 628080534 /nfs/dbraw/zinc/08/05/34/628080534.db2.gz FVLBPCCFNRWECQ-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000775310143 628080537 /nfs/dbraw/zinc/08/05/37/628080537.db2.gz FVLBPCCFNRWECQ-HRCADAONSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775392058 628089386 /nfs/dbraw/zinc/08/93/86/628089386.db2.gz HBWKBXMYURVNFX-SUMWQHHRSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775392058 628089388 /nfs/dbraw/zinc/08/93/88/628089388.db2.gz HBWKBXMYURVNFX-SUMWQHHRSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000776333738 628194659 /nfs/dbraw/zinc/19/46/59/628194659.db2.gz CSHMYVSBNUDUKI-CABCVRRESA-N 2 2 278.415 3.393 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000790049267 629179896 /nfs/dbraw/zinc/17/98/96/629179896.db2.gz NSAUFYKEVHRUGN-AEFFLSMTSA-N 2 2 286.463 3.426 20 0 CGADLP C[C@@H](CC[NH+]1CCC(F)(F)CC1)[NH+]1CCC(F)(F)CC1 ZINC000796541031 629798757 /nfs/dbraw/zinc/79/87/57/629798757.db2.gz NJZHHZDLIMBIRE-LBPRGKRZSA-N 2 2 296.352 3.227 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1[NH+](C)C ZINC000796910055 629858073 /nfs/dbraw/zinc/85/80/73/629858073.db2.gz AAKPDPIZCUYQGF-NUJGCVRESA-N 2 2 287.451 3.346 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1[NH+](C)C ZINC000796910055 629858076 /nfs/dbraw/zinc/85/80/76/629858076.db2.gz AAKPDPIZCUYQGF-NUJGCVRESA-N 2 2 287.451 3.346 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592496 629966206 /nfs/dbraw/zinc/96/62/06/629966206.db2.gz ZUYADYKIUBITGJ-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592496 629966209 /nfs/dbraw/zinc/96/62/09/629966209.db2.gz ZUYADYKIUBITGJ-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592496 629966216 /nfs/dbraw/zinc/96/62/16/629966216.db2.gz ZUYADYKIUBITGJ-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)C[C@@H]1C ZINC000797592496 629966222 /nfs/dbraw/zinc/96/62/22/629966222.db2.gz ZUYADYKIUBITGJ-DZGCQCFKSA-N 2 2 295.858 3.348 20 0 CGADLP C[C@@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)Cn1cc[nH+]c1 ZINC000865434081 630122053 /nfs/dbraw/zinc/12/20/53/630122053.db2.gz VZMVVZUVYRGMRM-LBPRGKRZSA-N 2 2 292.452 3.063 20 0 CGADLP c1cn(CCCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)c[nH+]1 ZINC000809750031 630799564 /nfs/dbraw/zinc/79/95/64/630799564.db2.gz VBMNJXLWXFUOCD-KRWDZBQOSA-N 2 2 289.423 3.068 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3C[C@H](C)[C@@H]3C)cc2)CC1 ZINC000813863459 631472768 /nfs/dbraw/zinc/47/27/68/631472768.db2.gz LGFLNAJBKNHLHA-RLFYNMQTSA-N 2 2 287.451 3.285 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815554143 631794497 /nfs/dbraw/zinc/79/44/97/631794497.db2.gz SPICUONQPRKYAT-HIFRSBDPSA-N 2 2 264.388 3.269 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815554143 631794500 /nfs/dbraw/zinc/79/45/00/631794500.db2.gz SPICUONQPRKYAT-HIFRSBDPSA-N 2 2 264.388 3.269 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC000817948544 632245919 /nfs/dbraw/zinc/24/59/19/632245919.db2.gz BKJGFQRTBDVYHW-IAGOWNOFSA-N 2 2 288.435 3.194 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866230303 633035723 /nfs/dbraw/zinc/03/57/23/633035723.db2.gz ZAAHFZGLLQRWRW-MLGOLLRUSA-N 2 2 273.355 3.078 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000866256448 633048271 /nfs/dbraw/zinc/04/82/71/633048271.db2.gz KPDQVIUUHSPOHG-MRXNPFEDSA-N 2 2 298.434 3.280 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccn1 ZINC000866350482 633093628 /nfs/dbraw/zinc/09/36/28/633093628.db2.gz CELDXONHNDVMDT-LEOMRAHMSA-N 2 2 287.451 3.385 20 0 CGADLP C([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561975 633193453 /nfs/dbraw/zinc/19/34/53/633193453.db2.gz MVKAHPLNYZDODC-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561975 633193460 /nfs/dbraw/zinc/19/34/60/633193460.db2.gz MVKAHPLNYZDODC-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000824098735 633194611 /nfs/dbraw/zinc/19/46/11/633194611.db2.gz MYMWOOBCSPUJNE-QWHCGFSZSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(F)cc(F)c1 ZINC000824098735 633194612 /nfs/dbraw/zinc/19/46/12/633194612.db2.gz MYMWOOBCSPUJNE-QWHCGFSZSA-N 2 2 282.378 3.142 20 0 CGADLP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866636485 633224553 /nfs/dbraw/zinc/22/45/53/633224553.db2.gz LCMHPVUSGPPOAU-OFQRWUPVSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000872027860 633947322 /nfs/dbraw/zinc/94/73/22/633947322.db2.gz GNXMRTCFSGHMSM-ZACQAIPSSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000872032766 633951834 /nfs/dbraw/zinc/95/18/34/633951834.db2.gz ZDUQLEINFFAGGX-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(O)c1F ZINC000872042426 633965358 /nfs/dbraw/zinc/96/53/58/633965358.db2.gz OTTQYXHTUMRTLE-LBPRGKRZSA-N 2 2 289.354 3.079 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCCc3ccccc3C1)CC2 ZINC000872062695 633985372 /nfs/dbraw/zinc/98/53/72/633985372.db2.gz JHKPWYXCAQGAGB-ZWKOTPCHSA-N 2 2 295.430 3.125 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872068028 633989738 /nfs/dbraw/zinc/98/97/38/633989738.db2.gz USOQDSQSIQGFDB-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872068028 633989741 /nfs/dbraw/zinc/98/97/41/633989741.db2.gz USOQDSQSIQGFDB-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834607025 634197150 /nfs/dbraw/zinc/19/71/50/634197150.db2.gz NWOAHILXPKEJTB-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834607025 634197153 /nfs/dbraw/zinc/19/71/53/634197153.db2.gz NWOAHILXPKEJTB-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC000873148117 634258811 /nfs/dbraw/zinc/25/88/11/634258811.db2.gz HXANBBNVJGEGAO-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c2c1 ZINC000873148117 634258815 /nfs/dbraw/zinc/25/88/15/634258815.db2.gz HXANBBNVJGEGAO-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226956 634291268 /nfs/dbraw/zinc/29/12/68/634291268.db2.gz FHMJKHCKTUVDCO-CABCVRRESA-N 2 2 292.471 3.086 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226956 634291273 /nfs/dbraw/zinc/29/12/73/634291273.db2.gz FHMJKHCKTUVDCO-CABCVRRESA-N 2 2 292.471 3.086 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230198 634292468 /nfs/dbraw/zinc/29/24/68/634292468.db2.gz NHSCEZFBPVNUET-UKRRQHHQSA-N 2 2 298.402 3.376 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230849 634292732 /nfs/dbraw/zinc/29/27/32/634292732.db2.gz YQLLYVNYCLGDDV-HZPDHXFCSA-N 2 2 272.417 3.276 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)c2)c1 ZINC000873229629 634292952 /nfs/dbraw/zinc/29/29/52/634292952.db2.gz CVFJCIAVHCQZMG-OALUTQOASA-N 2 2 293.414 3.123 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230279 634293212 /nfs/dbraw/zinc/29/32/12/634293212.db2.gz OOBWUXAHUXACIW-LSDHHAIUSA-N 2 2 264.800 3.023 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@]34CCC[C@@H]3[NH2+]CC4)ccc2c1 ZINC000873230443 634293232 /nfs/dbraw/zinc/29/32/32/634293232.db2.gz ROYAQUHROFBVAC-RBUKOAKNSA-N 2 2 296.414 3.223 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876889974 634922634 /nfs/dbraw/zinc/92/26/34/634922634.db2.gz STGPGOAIWOFRTA-UHFFFAOYSA-N 2 2 293.798 3.055 20 0 CGADLP CSC(C)(C)CC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000876967399 634939575 /nfs/dbraw/zinc/93/95/75/634939575.db2.gz GAONPKNEURYFGK-UHFFFAOYSA-N 2 2 289.448 3.494 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000841039168 635112398 /nfs/dbraw/zinc/11/23/98/635112398.db2.gz DJNVDXDHCGASPF-UHFFFAOYSA-N 2 2 282.815 3.100 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000877619366 635115729 /nfs/dbraw/zinc/11/57/29/635115729.db2.gz XJRWUBQHTLSLFW-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000877619366 635115732 /nfs/dbraw/zinc/11/57/32/635115732.db2.gz XJRWUBQHTLSLFW-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478420 635795885 /nfs/dbraw/zinc/79/58/85/635795885.db2.gz TWSGPCXRHHDLJK-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879478420 635795892 /nfs/dbraw/zinc/79/58/92/635795892.db2.gz TWSGPCXRHHDLJK-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)nc1 ZINC000880103410 635914877 /nfs/dbraw/zinc/91/48/77/635914877.db2.gz OXRSEUPVFHFHSX-NSHDSACASA-N 2 2 298.312 3.038 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880134648 635921382 /nfs/dbraw/zinc/92/13/82/635921382.db2.gz OFFWGTNCEKRZKG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134648 635921385 /nfs/dbraw/zinc/92/13/85/635921385.db2.gz OFFWGTNCEKRZKG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134648 635921388 /nfs/dbraw/zinc/92/13/88/635921388.db2.gz OFFWGTNCEKRZKG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134648 635921394 /nfs/dbraw/zinc/92/13/94/635921394.db2.gz OFFWGTNCEKRZKG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142027 635922462 /nfs/dbraw/zinc/92/24/62/635922462.db2.gz WSIGYAJLSQESAD-KBPBESRZSA-N 2 2 270.486 3.077 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142027 635922464 /nfs/dbraw/zinc/92/24/64/635922464.db2.gz WSIGYAJLSQESAD-KBPBESRZSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCSC(C)(C)C ZINC000880142027 635922467 /nfs/dbraw/zinc/92/24/67/635922467.db2.gz WSIGYAJLSQESAD-KBPBESRZSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCSC(C)(C)C ZINC000880142027 635922470 /nfs/dbraw/zinc/92/24/70/635922470.db2.gz WSIGYAJLSQESAD-KBPBESRZSA-N 2 2 270.486 3.077 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCC1 ZINC000880206913 635937639 /nfs/dbraw/zinc/93/76/39/635937639.db2.gz MOBGIESDHNFLFD-GOSISDBHSA-N 2 2 292.467 3.110 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCC1 ZINC000880206913 635937643 /nfs/dbraw/zinc/93/76/43/635937643.db2.gz MOBGIESDHNFLFD-GOSISDBHSA-N 2 2 292.467 3.110 20 0 CGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)C(C)C)CC1 ZINC000880254588 635958050 /nfs/dbraw/zinc/95/80/50/635958050.db2.gz HXFTYYWANYJNNV-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP CC1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880568978 636023067 /nfs/dbraw/zinc/02/30/67/636023067.db2.gz FSXPSZDOBCSVNK-MRXNPFEDSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000848568781 636611979 /nfs/dbraw/zinc/61/19/79/636611979.db2.gz QWFOHIHTZNIMGD-CFVMTHIKSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000848568781 636611999 /nfs/dbraw/zinc/61/19/99/636611999.db2.gz QWFOHIHTZNIMGD-CFVMTHIKSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+]CCc1ccns1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883248966 636620110 /nfs/dbraw/zinc/62/01/10/636620110.db2.gz NHXTYXKWTYFOFK-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000131630134 636703155 /nfs/dbraw/zinc/70/31/55/636703155.db2.gz OBDCKRXUCPNODV-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000131630134 636703163 /nfs/dbraw/zinc/70/31/63/636703163.db2.gz OBDCKRXUCPNODV-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCOC1 ZINC000883387164 636728530 /nfs/dbraw/zinc/72/85/30/636728530.db2.gz SLDZRQAWBNNGJO-BZSNNMDCSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883387530 636728657 /nfs/dbraw/zinc/72/86/57/636728657.db2.gz ZDQDNXNPSLVMID-BBRMVZONSA-N 2 2 255.365 3.013 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)c2ccccc2)c[nH+]1 ZINC000883388482 636729875 /nfs/dbraw/zinc/72/98/75/636729875.db2.gz WBUFUSBYJLRBOQ-KURKYZTESA-N 2 2 281.403 3.403 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388108 636730804 /nfs/dbraw/zinc/73/08/04/636730804.db2.gz MGJHWNIGAJGKCN-KZNAEPCWSA-N 2 2 299.418 3.172 20 0 CGADLP Cc1[nH+]cc(CNc2ccc([NH+]3CCCCC3)cc2)n1C ZINC000850044610 636934355 /nfs/dbraw/zinc/93/43/55/636934355.db2.gz QMMZUGNIPHKSGZ-UHFFFAOYSA-N 2 2 284.407 3.331 20 0 CGADLP Cc1coc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000885953605 637327650 /nfs/dbraw/zinc/32/76/50/637327650.db2.gz AWMOWBNVIROXLS-UHFFFAOYSA-N 2 2 276.424 3.332 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000886162081 637443318 /nfs/dbraw/zinc/44/33/18/637443318.db2.gz FGWQQHHHUCGTPS-YESZJQIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(C2CCC2)c1 ZINC000925231755 638481567 /nfs/dbraw/zinc/48/15/67/638481567.db2.gz IKJHWKQINSNAOC-CQSZACIVSA-N 2 2 299.422 3.156 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCCCO1 ZINC000925524990 638518658 /nfs/dbraw/zinc/51/86/58/638518658.db2.gz CVQPDRKXWNOIJP-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCCCO1 ZINC000925524990 638518663 /nfs/dbraw/zinc/51/86/63/638518663.db2.gz CVQPDRKXWNOIJP-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925528581 638520354 /nfs/dbraw/zinc/52/03/54/638520354.db2.gz FUSDXVFXOHPLBV-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925599387 638541460 /nfs/dbraw/zinc/54/14/60/638541460.db2.gz YIKUPUBFUFYAPG-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925599382 638541591 /nfs/dbraw/zinc/54/15/91/638541591.db2.gz YIKUPUBFUFYAPG-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000925648480 638556283 /nfs/dbraw/zinc/55/62/83/638556283.db2.gz UZYJOVCWLRQUAJ-KYOSRNDESA-N 2 2 289.448 3.233 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000925681826 638567405 /nfs/dbraw/zinc/56/74/05/638567405.db2.gz XYDYFRYOUIBXSE-NWANDNLSSA-N 2 2 282.378 3.490 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925712824 638576621 /nfs/dbraw/zinc/57/66/21/638576621.db2.gz PWLGUXZDIANBTP-CYBMUJFWSA-N 2 2 260.406 3.131 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000926145811 638721069 /nfs/dbraw/zinc/72/10/69/638721069.db2.gz TWHOIVUCWPEAFG-HUUCEWRRSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccnc1Cl ZINC000858490236 638741150 /nfs/dbraw/zinc/74/11/50/638741150.db2.gz DCLPPOUKEJIXKE-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccnc1Cl ZINC000858490236 638741151 /nfs/dbraw/zinc/74/11/51/638741151.db2.gz DCLPPOUKEJIXKE-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926231337 638748506 /nfs/dbraw/zinc/74/85/06/638748506.db2.gz ZQSWXOAFRWKOCP-KGLIPLIRSA-N 2 2 263.429 3.104 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2[nH]1 ZINC000926450367 638772424 /nfs/dbraw/zinc/77/24/24/638772424.db2.gz LPNLVSVPBCSNBU-DGCLKSJQSA-N 2 2 280.375 3.099 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000926582543 638787695 /nfs/dbraw/zinc/78/76/95/638787695.db2.gz AFDQRHSYHZVGHU-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000926582543 638787696 /nfs/dbraw/zinc/78/76/96/638787696.db2.gz AFDQRHSYHZVGHU-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876619 638820412 /nfs/dbraw/zinc/82/04/12/638820412.db2.gz APEYOROXKSZDNZ-SLUKUZTOSA-N 2 2 294.508 3.267 20 0 CGADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876619 638820413 /nfs/dbraw/zinc/82/04/13/638820413.db2.gz APEYOROXKSZDNZ-SLUKUZTOSA-N 2 2 294.508 3.267 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](C[NH+](C)C)OCC)c1ccsc1 ZINC000926963860 638829293 /nfs/dbraw/zinc/82/92/93/638829293.db2.gz VLPHPMXGIANLNK-GJZGRUSLSA-N 2 2 284.469 3.146 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000931354579 639139686 /nfs/dbraw/zinc/13/96/86/639139686.db2.gz KYMHFRRTLOLLSB-UHFFFAOYSA-N 2 2 296.405 3.314 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+](CC/C=C\c1ccccc1)CC2 ZINC000931515274 639163370 /nfs/dbraw/zinc/16/33/70/639163370.db2.gz CUTDCZOGSKMHHJ-YWEYNIOJSA-N 2 2 279.387 3.125 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+](CC/C=C\c1ccccc1)CC2 ZINC000931515274 639163373 /nfs/dbraw/zinc/16/33/73/639163373.db2.gz CUTDCZOGSKMHHJ-YWEYNIOJSA-N 2 2 279.387 3.125 20 0 CGADLP Cc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c(C)c(C)[nH+]1 ZINC001155346908 805575716 /nfs/dbraw/zinc/57/57/16/805575716.db2.gz PSKYNMKXXBBMQD-NSHDSACASA-N 2 2 280.375 3.365 20 0 CGADLP Cc1cc2ccccc2c(N[C@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC001155667872 805602446 /nfs/dbraw/zinc/60/24/46/805602446.db2.gz QAZCXRQUHRGEBM-INIZCTEOSA-N 2 2 267.376 3.049 20 0 CGADLP Cc1nc(N[C@@H](C)C[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001155920521 805625483 /nfs/dbraw/zinc/62/54/83/805625483.db2.gz CXJOXERXVNHTDE-LBPRGKRZSA-N 2 2 276.428 3.195 20 0 CGADLP CC(C)Oc1cc[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001157748892 805861646 /nfs/dbraw/zinc/86/16/46/805861646.db2.gz YXSUOYUNKODWPH-AWEZNQCLSA-N 2 2 297.402 3.453 20 0 CGADLP CCOc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158271548 805934134 /nfs/dbraw/zinc/93/41/34/805934134.db2.gz IYVJNORFZIEKRV-GUYCJALGSA-N 2 2 291.439 3.436 20 0 CGADLP Clc1cccc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001158628002 805979867 /nfs/dbraw/zinc/97/98/67/805979867.db2.gz VGUYIYKELWRHQC-GFCCVEGCSA-N 2 2 275.783 3.442 20 0 CGADLP C[C@@]1(C[NH3+])CCCN(c2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001158676277 805983637 /nfs/dbraw/zinc/98/36/37/805983637.db2.gz ZWIGRQOFTWIYNC-SFHVURJKSA-N 2 2 281.403 3.314 20 0 CGADLP c1ccc2cc(NCC34CC[NH+](CC3)CC4)[nH+]cc2c1 ZINC001158824790 806008441 /nfs/dbraw/zinc/00/84/41/806008441.db2.gz WQESYFUXYXKABF-UHFFFAOYSA-N 2 2 267.376 3.133 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC23CC[NH+](CC2)CC3)[nH+]1 ZINC001158826496 806009857 /nfs/dbraw/zinc/00/98/57/806009857.db2.gz CMMNAHPMSOYMKS-UHFFFAOYSA-N 2 2 279.815 3.250 20 0 CGADLP CCN(C)c1ccc(Nc2ccc(C(C)(C)[NH3+])cc2)c[nH+]1 ZINC001159364298 806087019 /nfs/dbraw/zinc/08/70/19/806087019.db2.gz MVXANALMGBIOKW-UHFFFAOYSA-N 2 2 284.407 3.475 20 0 CGADLP c1cc(Nc2ccc3c(c2)C[NH2+]C3)[nH+]c(C2CC2)c1 ZINC001159366080 806087120 /nfs/dbraw/zinc/08/71/20/806087120.db2.gz UANFXUJYODWGKK-UHFFFAOYSA-N 2 2 251.333 3.306 20 0 CGADLP C[NH+]1C(C)(C)CC(Nc2cc(N)cc(Cl)[nH+]2)CC1(C)C ZINC001159397493 806094708 /nfs/dbraw/zinc/09/47/08/806094708.db2.gz PHAARYPLFPFJMC-UHFFFAOYSA-N 2 2 296.846 3.381 20 0 CGADLP c1cc2c(c(Nc3ccc(N4CCCCC4)[nH+]c3)c1)C[NH2+]C2 ZINC001159765294 806166729 /nfs/dbraw/zinc/16/67/29/806166729.db2.gz VQEZTCLRXRCYLH-UHFFFAOYSA-N 2 2 294.402 3.419 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1C[NH3+] ZINC001159735097 806163893 /nfs/dbraw/zinc/16/38/93/806163893.db2.gz MXLXLTQHIXREIV-UHFFFAOYSA-N 2 2 253.349 3.470 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC001159831938 806182388 /nfs/dbraw/zinc/18/23/88/806182388.db2.gz BUMNGNCEJGEQQM-INIZCTEOSA-N 2 2 279.387 3.437 20 0 CGADLP CC[NH2+]Cc1cccc(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001159955959 806204328 /nfs/dbraw/zinc/20/43/28/806204328.db2.gz AZSYIBRKXXHGOO-UHFFFAOYSA-N 2 2 271.364 3.252 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c1 ZINC001159982305 806208233 /nfs/dbraw/zinc/20/82/33/806208233.db2.gz RNIZPKPPGZGNRQ-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1c(F)cc[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161208871 806357661 /nfs/dbraw/zinc/35/76/61/806357661.db2.gz ORKNPCPZGAEBRL-UHFFFAOYSA-N 2 2 279.403 3.452 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cc1 ZINC001254834285 806493123 /nfs/dbraw/zinc/49/31/23/806493123.db2.gz WTTROKYPTAVQLX-MLGOLLRUSA-N 2 2 278.827 3.475 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254836158 806493314 /nfs/dbraw/zinc/49/33/14/806493314.db2.gz KSJSSUXDLHAJBX-KRWDZBQOSA-N 2 2 272.436 3.038 20 0 CGADLP Fc1c(Cl)cccc1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848445 806497073 /nfs/dbraw/zinc/49/70/73/806497073.db2.gz QESVPWTYPIGVBX-CQSZACIVSA-N 2 2 296.817 3.096 20 0 CGADLP CC1(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254848712 806497128 /nfs/dbraw/zinc/49/71/28/806497128.db2.gz VDSWOYJNPGNFMR-AWEZNQCLSA-N 2 2 286.410 3.276 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848699 806497296 /nfs/dbraw/zinc/49/72/96/806497296.db2.gz UWMBYKSVIOYRIC-RHSMWYFYSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254865518 806502272 /nfs/dbraw/zinc/50/22/72/806502272.db2.gz ZZOIHCXOAPIMNB-PKOBYXMFSA-N 2 2 284.447 3.480 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254865518 806502275 /nfs/dbraw/zinc/50/22/75/806502275.db2.gz ZZOIHCXOAPIMNB-PKOBYXMFSA-N 2 2 284.447 3.480 20 0 CGADLP CCCC[C@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001255333234 806619585 /nfs/dbraw/zinc/61/95/85/806619585.db2.gz IMDGUGJLFWGYOO-AWEZNQCLSA-N 2 2 291.439 3.227 20 0 CGADLP CC1(C)C[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001255536490 806668236 /nfs/dbraw/zinc/66/82/36/806668236.db2.gz KOJGQEXGWYIHGO-OAHLLOKOSA-N 2 2 285.391 3.139 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(O)c1 ZINC000037156674 798861820 /nfs/dbraw/zinc/86/18/20/798861820.db2.gz ZXZORYUXGVPASA-XJKSGUPXSA-N 2 2 287.407 3.354 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccco1 ZINC000037156625 798863032 /nfs/dbraw/zinc/86/30/32/798863032.db2.gz XRSRLUUDYNCSKT-TZMCWYRMSA-N 2 2 261.369 3.242 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255736771 806726922 /nfs/dbraw/zinc/72/69/22/806726922.db2.gz CJVBQPXPJYKVHE-ZDUSSCGKSA-N 2 2 296.455 3.332 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255736771 806726928 /nfs/dbraw/zinc/72/69/28/806726928.db2.gz CJVBQPXPJYKVHE-ZDUSSCGKSA-N 2 2 296.455 3.332 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1)C1CC1 ZINC000300665371 799205536 /nfs/dbraw/zinc/20/55/36/799205536.db2.gz BMFOPAOJUZTBEK-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1)C1CC1 ZINC000300665371 799205542 /nfs/dbraw/zinc/20/55/42/799205542.db2.gz BMFOPAOJUZTBEK-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP [NH3+]C1(CNc2[nH+]c(N3CCCC3)cc3ccccc32)CCC1 ZINC001163328310 806739982 /nfs/dbraw/zinc/73/99/82/806739982.db2.gz MLLQTDTUZFVSTC-UHFFFAOYSA-N 2 2 296.418 3.128 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)cc1 ZINC001255782544 806749274 /nfs/dbraw/zinc/74/92/74/806749274.db2.gz BEMRRBQWMMCIGR-HNNXBMFYSA-N 2 2 279.387 3.364 20 0 CGADLP CCCc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC001163366087 806751325 /nfs/dbraw/zinc/75/13/25/806751325.db2.gz RCKLAHZOZQYDEJ-CJNGLKHVSA-N 2 2 290.455 3.268 20 0 CGADLP CCCc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC001163366087 806751331 /nfs/dbraw/zinc/75/13/31/806751331.db2.gz RCKLAHZOZQYDEJ-CJNGLKHVSA-N 2 2 290.455 3.268 20 0 CGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1csc(Cl)n1)CC2 ZINC000691938235 799789724 /nfs/dbraw/zinc/78/97/24/799789724.db2.gz PBDYRTWATZRXOC-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@H]3C2)nc1 ZINC001255888610 806784695 /nfs/dbraw/zinc/78/46/95/806784695.db2.gz PFRMCMARJJPDET-IAGOWNOFSA-N 2 2 299.462 3.168 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888609 806784970 /nfs/dbraw/zinc/78/49/70/806784970.db2.gz PFRMCMARJJPDET-CALCHBBNSA-N 2 2 299.462 3.168 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888609 806784978 /nfs/dbraw/zinc/78/49/78/806784978.db2.gz PFRMCMARJJPDET-CALCHBBNSA-N 2 2 299.462 3.168 20 0 CGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888609 806784979 /nfs/dbraw/zinc/78/49/79/806784979.db2.gz PFRMCMARJJPDET-CALCHBBNSA-N 2 2 299.462 3.168 20 0 CGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCCCC4)C[C@@H]3C2)nc1 ZINC001255888609 806784985 /nfs/dbraw/zinc/78/49/85/806784985.db2.gz PFRMCMARJJPDET-CALCHBBNSA-N 2 2 299.462 3.168 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000708888200 799999025 /nfs/dbraw/zinc/99/90/25/799999025.db2.gz FMKUDRQWOXROGD-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH3+] ZINC000708888200 799999034 /nfs/dbraw/zinc/99/90/34/799999034.db2.gz FMKUDRQWOXROGD-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000715544929 800139074 /nfs/dbraw/zinc/13/90/74/800139074.db2.gz VKLALYAEQDYRCM-STQMWFEESA-N 2 2 295.496 3.403 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccns1 ZINC000715990995 800157025 /nfs/dbraw/zinc/15/70/25/800157025.db2.gz NILYQBQNFMZOCA-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP Clc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000719439012 800239495 /nfs/dbraw/zinc/23/94/95/800239495.db2.gz CSGPKTYNXHURQB-IJLUTSLNSA-N 2 2 299.871 3.197 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000723623235 800332224 /nfs/dbraw/zinc/33/22/24/800332224.db2.gz VOOSQZUFRAMRKH-LTIDMASMSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000723623235 800332230 /nfs/dbraw/zinc/33/22/30/800332230.db2.gz VOOSQZUFRAMRKH-LTIDMASMSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000723623238 800332179 /nfs/dbraw/zinc/33/21/79/800332179.db2.gz VOOSQZUFRAMRKH-YYIAUSFCSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000723623238 800332184 /nfs/dbraw/zinc/33/21/84/800332184.db2.gz VOOSQZUFRAMRKH-YYIAUSFCSA-N 2 2 264.457 3.277 20 0 CGADLP CCC(CC)[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000809545538 800442523 /nfs/dbraw/zinc/44/25/23/800442523.db2.gz FKNXZPJRYGNPGL-UHFFFAOYSA-N 2 2 281.469 3.358 20 0 CGADLP CCC(CC)[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000809545538 800442526 /nfs/dbraw/zinc/44/25/26/800442526.db2.gz FKNXZPJRYGNPGL-UHFFFAOYSA-N 2 2 281.469 3.358 20 0 CGADLP Cc1cc(Cl)cc(Cl)c1C[NH2+]C1CC[NH+](C)CC1 ZINC001256195450 806848061 /nfs/dbraw/zinc/84/80/61/806848061.db2.gz WKVKQILOGLDEMU-UHFFFAOYSA-N 2 2 287.234 3.486 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001256569444 806918014 /nfs/dbraw/zinc/91/80/14/806918014.db2.gz GAHRMIXJHZUPHF-CYBMUJFWSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001256569444 806918021 /nfs/dbraw/zinc/91/80/21/806918021.db2.gz GAHRMIXJHZUPHF-CYBMUJFWSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC001256576318 806921464 /nfs/dbraw/zinc/92/14/64/806921464.db2.gz FVSNWOPYBPPWJO-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP Cc1cc([NH2+][C@H](C)C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001116764138 802407400 /nfs/dbraw/zinc/40/74/00/802407400.db2.gz AJBZFZXPFWZSNH-OAHLLOKOSA-N 2 2 275.440 3.203 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001244860640 803551952 /nfs/dbraw/zinc/55/19/52/803551952.db2.gz SSQWAGUJSUXUMH-UHFFFAOYSA-N 2 2 281.334 3.398 20 0 CGADLP CNc1cc(-c2ccccc2C2CC[NH2+]CC2)cc[nH+]1 ZINC001244976540 803600605 /nfs/dbraw/zinc/60/06/05/803600605.db2.gz LNPIABZPSNVWPU-UHFFFAOYSA-N 2 2 267.376 3.257 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1cccc2c1C[NH2+]CC2 ZINC001245196409 803661024 /nfs/dbraw/zinc/66/10/24/803661024.db2.gz AUWYNPXVPLTCQZ-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001137170825 803693229 /nfs/dbraw/zinc/69/32/29/803693229.db2.gz IKUWPZVENSJVCP-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001137170825 803693230 /nfs/dbraw/zinc/69/32/30/803693230.db2.gz IKUWPZVENSJVCP-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP c1cn2c(cccc2-c2ccc([C@@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001245349111 803707584 /nfs/dbraw/zinc/70/75/84/803707584.db2.gz BVKOANJYYLSCLI-HNNXBMFYSA-N 2 2 263.344 3.426 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245355809 803711052 /nfs/dbraw/zinc/71/10/52/803711052.db2.gz LPTBONRQXUEXIM-INIZCTEOSA-N 2 2 293.370 3.434 20 0 CGADLP COc1c(C)cccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245361312 803712973 /nfs/dbraw/zinc/71/29/73/803712973.db2.gz DFSXYPWECCYOEP-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245361312 803712976 /nfs/dbraw/zinc/71/29/76/803712976.db2.gz DFSXYPWECCYOEP-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccc(C[NH+]3CCCCC3)cn2)c[nH+]c1N ZINC001245541252 803799433 /nfs/dbraw/zinc/79/94/33/803799433.db2.gz ORAJZSYSPVMOIA-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP Cc1cc(-c2ccccc2C2CC[NH2+]CC2)c[nH+]c1N ZINC001245540905 803799604 /nfs/dbraw/zinc/79/96/04/803799604.db2.gz ZNKABJLBAANBSV-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138430220 803931503 /nfs/dbraw/zinc/93/15/03/803931503.db2.gz SICHICVANCWNPZ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138430220 803931504 /nfs/dbraw/zinc/93/15/04/803931504.db2.gz SICHICVANCWNPZ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)sc1C ZINC001138569688 803970847 /nfs/dbraw/zinc/97/08/47/803970847.db2.gz KPHDYSMZGCODMX-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)sc1C ZINC001138569688 803970850 /nfs/dbraw/zinc/97/08/50/803970850.db2.gz KPHDYSMZGCODMX-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246078075 804116005 /nfs/dbraw/zinc/11/60/05/804116005.db2.gz GAOXCBPVIXJGKB-DNVCBOLYSA-N 2 2 282.431 3.470 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246088711 804120663 /nfs/dbraw/zinc/12/06/63/804120663.db2.gz XDAZCLYZTYZGJF-BACDZXNISA-N 2 2 276.399 3.002 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246090368 804122136 /nfs/dbraw/zinc/12/21/36/804122136.db2.gz FJUYJZCMKNCMSF-YVSFHVDLSA-N 2 2 276.399 3.002 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246099236 804131247 /nfs/dbraw/zinc/13/12/47/804131247.db2.gz RNCHDYWVTKRJSK-GJZGRUSLSA-N 2 2 282.378 3.365 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246099238 804131860 /nfs/dbraw/zinc/13/18/60/804131860.db2.gz RNCHDYWVTKRJSK-LSDHHAIUSA-N 2 2 282.378 3.365 20 0 CGADLP CCCCCC1CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246104504 804137398 /nfs/dbraw/zinc/13/73/98/804137398.db2.gz BCUJUYLBZNFLIA-KNIAUWFNSA-N 2 2 270.436 3.415 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246111874 804143274 /nfs/dbraw/zinc/14/32/74/804143274.db2.gz OSCMXIIKGSDSBX-JYVUQVBGSA-N 2 2 270.436 3.271 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246112712 804144742 /nfs/dbraw/zinc/14/47/42/804144742.db2.gz MGIUHWZQRONKAM-IPYPFGDCSA-N 2 2 296.455 3.284 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246114575 804146986 /nfs/dbraw/zinc/14/69/86/804146986.db2.gz QADMHOIOYLIWER-WMZOPIPTSA-N 2 2 292.442 3.388 20 0 CGADLP Cn1ccc2cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)ccc21 ZINC001139193069 804155599 /nfs/dbraw/zinc/15/55/99/804155599.db2.gz VYMYRTOYOWSFBW-UHFFFAOYSA-N 2 2 297.446 3.237 20 0 CGADLP Cn1ccc2cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)ccc21 ZINC001139193069 804155601 /nfs/dbraw/zinc/15/56/01/804155601.db2.gz VYMYRTOYOWSFBW-UHFFFAOYSA-N 2 2 297.446 3.237 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c1F ZINC001246159191 804176247 /nfs/dbraw/zinc/17/62/47/804176247.db2.gz JJGUBHIFBHEYPF-GHMZBOCLSA-N 2 2 284.806 3.406 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c1F ZINC001246164173 804181339 /nfs/dbraw/zinc/18/13/39/804181339.db2.gz TZWFRHNHXZNMNN-SWLSCSKDSA-N 2 2 282.378 3.139 20 0 CGADLP CC1(C)CCC([NH2+]CC[NH2+]Cc2ccccc2)CC1 ZINC001246168133 804182506 /nfs/dbraw/zinc/18/25/06/804182506.db2.gz WJZUFCSPGJNOLV-UHFFFAOYSA-N 2 2 260.425 3.335 20 0 CGADLP FC(F)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360609 804184159 /nfs/dbraw/zinc/18/41/59/804184159.db2.gz YLUGVMXWBZWDCZ-AWEZNQCLSA-N 2 2 291.345 3.349 20 0 CGADLP FC(F)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360609 804184165 /nfs/dbraw/zinc/18/41/65/804184165.db2.gz YLUGVMXWBZWDCZ-AWEZNQCLSA-N 2 2 291.345 3.349 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC001246170777 804185416 /nfs/dbraw/zinc/18/54/16/804185416.db2.gz SVPMRIFOELIKRP-LSDHHAIUSA-N 2 2 278.465 3.207 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCSc2ccc(Cl)cc2)C[NH2+]1 ZINC001246186389 804197314 /nfs/dbraw/zinc/19/73/14/804197314.db2.gz ZVRFEYYMWLJDPU-AAEUAGOBSA-N 2 2 284.856 3.162 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246228560 804222570 /nfs/dbraw/zinc/22/25/70/804222570.db2.gz XZTCMAULVXCKHX-JOYOIKCWSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC([NH2+]Cc2cc(F)c(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC001246238732 804230094 /nfs/dbraw/zinc/23/00/94/804230094.db2.gz ZHBQTLDETZIVIQ-IUCAKERBSA-N 2 2 288.769 3.237 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246266315 804245490 /nfs/dbraw/zinc/24/54/90/804245490.db2.gz BGKGOQKDPVYSPH-LBPRGKRZSA-N 2 2 286.872 3.410 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246274393 804251498 /nfs/dbraw/zinc/25/14/98/804251498.db2.gz WYKAAKQSLSWTOW-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246276545 804253713 /nfs/dbraw/zinc/25/37/13/804253713.db2.gz BYDJSTUVLPOISL-FMKPAKJESA-N 2 2 292.398 3.160 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246296070 804264950 /nfs/dbraw/zinc/26/49/50/804264950.db2.gz XPFZPLKPTOOGEZ-GUTXKFCHSA-N 2 2 294.414 3.262 20 0 CGADLP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246294426 804265061 /nfs/dbraw/zinc/26/50/61/804265061.db2.gz VCUYUYBSZIFBBO-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299195 804266825 /nfs/dbraw/zinc/26/68/25/804266825.db2.gz GMFJXEKZHSTLAY-BNEJOAPWSA-N 3 2 295.515 3.375 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309795 804270856 /nfs/dbraw/zinc/27/08/56/804270856.db2.gz XUMMTOWFEKCMKN-BHYGNILZSA-N 2 2 260.425 3.485 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC001246315248 804275155 /nfs/dbraw/zinc/27/51/55/804275155.db2.gz ROXAGIOMERDTIR-IUIKQTSFSA-N 2 2 262.372 3.007 20 0 CGADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC001246329791 804284588 /nfs/dbraw/zinc/28/45/88/804284588.db2.gz XBNHDVHVORKIJG-ZDUSSCGKSA-N 2 2 297.240 3.026 20 0 CGADLP Cc1cnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001139814067 804289194 /nfs/dbraw/zinc/28/91/94/804289194.db2.gz VXHRRBMXLQSCGA-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001139814067 804289201 /nfs/dbraw/zinc/28/92/01/804289201.db2.gz VXHRRBMXLQSCGA-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001139814067 804289209 /nfs/dbraw/zinc/28/92/09/804289209.db2.gz VXHRRBMXLQSCGA-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1cnc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001139814067 804289216 /nfs/dbraw/zinc/28/92/16/804289216.db2.gz VXHRRBMXLQSCGA-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Clc1cccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246370961 804307127 /nfs/dbraw/zinc/30/71/27/804307127.db2.gz YMSXPZCSNKNQKI-CQSZACIVSA-N 2 2 264.800 3.061 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(Cl)ccc32)CC[NH2+]1 ZINC001246418950 804328055 /nfs/dbraw/zinc/32/80/55/804328055.db2.gz TXTQZADWLMNEMC-QEJZJMRPSA-N 2 2 294.826 3.140 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2cccc(F)c2)C[NH2+]1 ZINC001246446974 804335391 /nfs/dbraw/zinc/33/53/91/804335391.db2.gz FKFRDUQWITWNDR-DQYPLSBCSA-N 2 2 276.399 3.397 20 0 CGADLP Fc1cccc([C@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246453059 804336819 /nfs/dbraw/zinc/33/68/19/804336819.db2.gz SMWJTFVKGOZEMQ-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@]1([NH2+][C@@H](C)CSc2ccc(F)cc2)CC[NH2+]C1 ZINC001246459406 804340546 /nfs/dbraw/zinc/34/05/46/804340546.db2.gz JYLJGMXQSKLGSU-WFASDCNBSA-N 2 2 282.428 3.038 20 0 CGADLP CC[N@H+](Cc1cc2ccccc2cn1)C1CC[NH+](C)CC1 ZINC001139997517 804347180 /nfs/dbraw/zinc/34/71/80/804347180.db2.gz HVCRWWCEKIFBJR-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cc2ccccc2cn1)C1CC[NH+](C)CC1 ZINC001139997517 804347188 /nfs/dbraw/zinc/34/71/88/804347188.db2.gz HVCRWWCEKIFBJR-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246507387 804365005 /nfs/dbraw/zinc/36/50/05/804365005.db2.gz BIIFPDIJLJZQRJ-ZBFHGGJFSA-N 2 2 264.413 3.109 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246505460 804365087 /nfs/dbraw/zinc/36/50/87/804365087.db2.gz AZPAZQQWAPYPHY-CWRNSKLLSA-N 2 2 260.425 3.491 20 0 CGADLP CCCC(CCC)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246513536 804368958 /nfs/dbraw/zinc/36/89/58/804368958.db2.gz XVQWYODGNLUIPS-MRXNPFEDSA-N 2 2 264.413 3.253 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H](C)CCCC(C)C)c1 ZINC001246513543 804370392 /nfs/dbraw/zinc/37/03/92/804370392.db2.gz XZEFRAYTRXOFBE-RHSMWYFYSA-N 2 2 278.440 3.499 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246525350 804377941 /nfs/dbraw/zinc/37/79/41/804377941.db2.gz WNCDKQYLBLHEJJ-SNVBAGLBSA-N 2 2 290.785 3.091 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246525350 804377948 /nfs/dbraw/zinc/37/79/48/804377948.db2.gz WNCDKQYLBLHEJJ-SNVBAGLBSA-N 2 2 290.785 3.091 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526961 804381568 /nfs/dbraw/zinc/38/15/68/804381568.db2.gz CSSYHIGJFZTOOW-BXUZGUMPSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526961 804381578 /nfs/dbraw/zinc/38/15/78/804381578.db2.gz CSSYHIGJFZTOOW-BXUZGUMPSA-N 2 2 284.856 3.244 20 0 CGADLP Clc1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246535907 804386536 /nfs/dbraw/zinc/38/65/36/804386536.db2.gz BACCGIHXPSAIJL-BJWYYQGGSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246535907 804386545 /nfs/dbraw/zinc/38/65/45/804386545.db2.gz BACCGIHXPSAIJL-BJWYYQGGSA-N 2 2 290.838 3.371 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001246544389 804394278 /nfs/dbraw/zinc/39/42/78/804394278.db2.gz VJTLXFWWVURODV-TZMCWYRMSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001246544389 804394284 /nfs/dbraw/zinc/39/42/84/804394284.db2.gz VJTLXFWWVURODV-TZMCWYRMSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001246550553 804401355 /nfs/dbraw/zinc/40/13/55/804401355.db2.gz JPIQZAYNQGHDCV-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[NH2+]CC[C@H]1C ZINC001246550553 804401360 /nfs/dbraw/zinc/40/13/60/804401360.db2.gz JPIQZAYNQGHDCV-NEPJUHHUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246564631 804413048 /nfs/dbraw/zinc/41/30/48/804413048.db2.gz FNIBDMRPFDBWDG-IPYPFGDCSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246564631 804413051 /nfs/dbraw/zinc/41/30/51/804413051.db2.gz FNIBDMRPFDBWDG-IPYPFGDCSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246566887 804415248 /nfs/dbraw/zinc/41/52/48/804415248.db2.gz JVHISIYETYJEFM-DVOMOZLQSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246566887 804415251 /nfs/dbraw/zinc/41/52/51/804415251.db2.gz JVHISIYETYJEFM-DVOMOZLQSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575634 804422644 /nfs/dbraw/zinc/42/26/44/804422644.db2.gz IPFNAOOZIZGXCD-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575634 804422648 /nfs/dbraw/zinc/42/26/48/804422648.db2.gz IPFNAOOZIZGXCD-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588836 804431523 /nfs/dbraw/zinc/43/15/23/804431523.db2.gz LEODFCZXHIORTC-KHMAMNHCSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588836 804431529 /nfs/dbraw/zinc/43/15/29/804431529.db2.gz LEODFCZXHIORTC-KHMAMNHCSA-N 2 2 274.399 3.068 20 0 CGADLP CC1(C[NH3+])C[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246591719 804434094 /nfs/dbraw/zinc/43/40/94/804434094.db2.gz XBWKSPDKELSPET-GFCCVEGCSA-N 2 2 299.245 3.131 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637182 804465927 /nfs/dbraw/zinc/46/59/27/804465927.db2.gz PCSRXENNLCAIDE-DOMZBBRYSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246637182 804465931 /nfs/dbraw/zinc/46/59/31/804465931.db2.gz PCSRXENNLCAIDE-DOMZBBRYSA-N 2 2 298.352 3.074 20 0 CGADLP CCCCCC[C@@H](CC)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648942 804477449 /nfs/dbraw/zinc/47/74/49/804477449.db2.gz NHMZJFJKYPATHI-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@@H](CC)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648942 804477451 /nfs/dbraw/zinc/47/74/51/804477451.db2.gz NHMZJFJKYPATHI-SJORKVTESA-N 2 2 282.472 3.190 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001246680975 804494743 /nfs/dbraw/zinc/49/47/43/804494743.db2.gz YMIOZGHMUVNZNO-GJZGRUSLSA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC001246680975 804494746 /nfs/dbraw/zinc/49/47/46/804494746.db2.gz YMIOZGHMUVNZNO-GJZGRUSLSA-N 2 2 278.465 3.159 20 0 CGADLP Fc1cccc2c1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805249 804522738 /nfs/dbraw/zinc/52/27/38/804522738.db2.gz XWANTSHDHAGEKK-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1cccc2c1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805249 804522743 /nfs/dbraw/zinc/52/27/43/804522743.db2.gz XWANTSHDHAGEKK-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001140805993 804524827 /nfs/dbraw/zinc/52/48/27/804524827.db2.gz SXIMPVWOGZSBKR-GOSISDBHSA-N 2 2 293.370 3.136 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001140805993 804524831 /nfs/dbraw/zinc/52/48/31/804524831.db2.gz SXIMPVWOGZSBKR-GOSISDBHSA-N 2 2 293.370 3.136 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827671 804538656 /nfs/dbraw/zinc/53/86/56/804538656.db2.gz QDPYQECVNZZGEX-ZWKOTPCHSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827671 804538662 /nfs/dbraw/zinc/53/86/62/804538662.db2.gz QDPYQECVNZZGEX-ZWKOTPCHSA-N 2 2 290.426 3.495 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835594 804545173 /nfs/dbraw/zinc/54/51/73/804545173.db2.gz JQXQAMIBSXXVAH-OAHLLOKOSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835594 804545180 /nfs/dbraw/zinc/54/51/80/804545180.db2.gz JQXQAMIBSXXVAH-OAHLLOKOSA-N 2 2 278.827 3.229 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876674 804574460 /nfs/dbraw/zinc/57/44/60/804574460.db2.gz LRHMGPFRCLEFSE-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876674 804574463 /nfs/dbraw/zinc/57/44/63/804574463.db2.gz LRHMGPFRCLEFSE-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893230 804584728 /nfs/dbraw/zinc/58/47/28/804584728.db2.gz IUEFIFLINAXLLU-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893230 804584730 /nfs/dbraw/zinc/58/47/30/804584730.db2.gz IUEFIFLINAXLLU-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)c1 ZINC001246927053 804604487 /nfs/dbraw/zinc/60/44/87/804604487.db2.gz FTBCSDVFUIGXCI-OIISXLGYSA-N 2 2 288.435 3.015 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C2)c1 ZINC001246927053 804604492 /nfs/dbraw/zinc/60/44/92/804604492.db2.gz FTBCSDVFUIGXCI-OIISXLGYSA-N 2 2 288.435 3.015 20 0 CGADLP Fc1cccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933593 804607683 /nfs/dbraw/zinc/60/76/83/804607683.db2.gz HFWCJPDASVMOQO-ATLSCFEFSA-N 2 2 288.410 3.178 20 0 CGADLP Fc1cccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246933593 804607688 /nfs/dbraw/zinc/60/76/88/804607688.db2.gz HFWCJPDASVMOQO-ATLSCFEFSA-N 2 2 288.410 3.178 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246944861 804611802 /nfs/dbraw/zinc/61/18/02/804611802.db2.gz UGNGRPOIBZBUGX-OIISXLGYSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246944861 804611804 /nfs/dbraw/zinc/61/18/04/804611804.db2.gz UGNGRPOIBZBUGX-OIISXLGYSA-N 2 2 258.409 3.191 20 0 CGADLP CCCC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952304 804615956 /nfs/dbraw/zinc/61/59/56/804615956.db2.gz JCVNJCIVTWOVEC-WBVHZDCISA-N 2 2 275.440 3.214 20 0 CGADLP CCCC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952304 804615961 /nfs/dbraw/zinc/61/59/61/804615961.db2.gz JCVNJCIVTWOVEC-WBVHZDCISA-N 2 2 275.440 3.214 20 0 CGADLP CC(C)[NH+](Cc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC001141236424 804620382 /nfs/dbraw/zinc/62/03/82/804620382.db2.gz DEIBWBYIBAMWDW-UHFFFAOYSA-N 2 2 257.381 3.491 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237554 804621293 /nfs/dbraw/zinc/62/12/93/804621293.db2.gz UDCBRRBFJXCPSP-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246997310 804632506 /nfs/dbraw/zinc/63/25/06/804632506.db2.gz MAKVVTHUSBXOTH-WZRBSPASSA-N 2 2 284.856 3.242 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246997310 804632501 /nfs/dbraw/zinc/63/25/01/804632501.db2.gz MAKVVTHUSBXOTH-WZRBSPASSA-N 2 2 284.856 3.242 20 0 CGADLP c1cn2cc(C[NH+]3CCC4(CCCC4)CC3)ccc2[nH+]1 ZINC001143022048 804796324 /nfs/dbraw/zinc/79/63/24/804796324.db2.gz KXALLKNHWJJESO-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP Cc1[nH+]ccn1Cc1ccc(Nc2c[nH+]c(N)c(C)c2)cc1 ZINC001249787796 805245868 /nfs/dbraw/zinc/24/58/68/805245868.db2.gz SHKMUMQQHDSVFU-UHFFFAOYSA-N 2 2 293.374 3.269 20 0 CGADLP C[C@@H]1C[C@@H](CNc2[nH+]cccc2OCc2ccccc2)C[NH2+]1 ZINC001155101605 805538648 /nfs/dbraw/zinc/53/86/48/805538648.db2.gz FLTUHBZQQPGZMX-GDBMZVCRSA-N 2 2 297.402 3.071 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001257223878 807064603 /nfs/dbraw/zinc/06/46/03/807064603.db2.gz GXELUZFZWXTZLG-SFHVURJKSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001257223878 807064611 /nfs/dbraw/zinc/06/46/11/807064611.db2.gz GXELUZFZWXTZLG-SFHVURJKSA-N 2 2 294.483 3.140 20 0 CGADLP CCCC(CCC)[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001257339565 807115242 /nfs/dbraw/zinc/11/52/42/807115242.db2.gz XMOPHXWZENAHHV-JKSUJKDBSA-N 2 2 270.436 3.463 20 0 CGADLP CCCC(CCC)[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001257339565 807115244 /nfs/dbraw/zinc/11/52/44/807115244.db2.gz XMOPHXWZENAHHV-JKSUJKDBSA-N 2 2 270.436 3.463 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471602 807172419 /nfs/dbraw/zinc/17/24/19/807172419.db2.gz NRMKMVAJPPOVGV-SJORKVTESA-N 3 2 285.520 3.194 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471602 807172423 /nfs/dbraw/zinc/17/24/23/807172423.db2.gz NRMKMVAJPPOVGV-SJORKVTESA-N 3 2 285.520 3.194 20 0 CGADLP CCCCC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001257515619 807189087 /nfs/dbraw/zinc/18/90/87/807189087.db2.gz SKRVEOFDSIHWDJ-HNNXBMFYSA-N 2 2 290.455 3.184 20 0 CGADLP [NH3+]CCc1[nH+]ccn1C1CCC(OCc2ccccc2)CC1 ZINC001257821585 807222873 /nfs/dbraw/zinc/22/28/73/807222873.db2.gz KIVUGLHHLKVIPU-UHFFFAOYSA-N 2 2 299.418 3.085 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1F ZINC001258003119 807262817 /nfs/dbraw/zinc/26/28/17/807262817.db2.gz BCBVZGWTFCPFLI-UHFFFAOYSA-N 2 2 296.405 3.483 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001168186644 807339289 /nfs/dbraw/zinc/33/92/89/807339289.db2.gz CDHFKARTDYHFIK-ZDUSSCGKSA-N 2 2 278.827 3.051 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001168186644 807339298 /nfs/dbraw/zinc/33/92/98/807339298.db2.gz CDHFKARTDYHFIK-ZDUSSCGKSA-N 2 2 278.827 3.051 20 0 CGADLP Cc1[nH+]cn(C2CCC(C)CC2)c1CSCC[NH3+] ZINC001168199633 807346131 /nfs/dbraw/zinc/34/61/31/807346131.db2.gz UJTIFBYAJARLSF-UHFFFAOYSA-N 2 2 267.442 3.135 20 0 CGADLP CSC(C)(C)C[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258341884 807419132 /nfs/dbraw/zinc/41/91/32/807419132.db2.gz OZYLTTNQOAWPSW-OLZOCXBDSA-N 2 2 281.469 3.443 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001168473408 807428987 /nfs/dbraw/zinc/42/89/87/807428987.db2.gz FKCGDPFWTIPQHD-ZDUSSCGKSA-N 2 2 283.350 3.194 20 0 CGADLP COc1ccc(CC[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001258397520 807438955 /nfs/dbraw/zinc/43/89/55/807438955.db2.gz IBMGHKJYJYAAAN-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP COc1ccc(CC[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001258397520 807438959 /nfs/dbraw/zinc/43/89/59/807438959.db2.gz IBMGHKJYJYAAAN-HNNXBMFYSA-N 2 2 290.451 3.042 20 0 CGADLP CCCC1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001258533639 807488944 /nfs/dbraw/zinc/48/89/44/807488944.db2.gz DHSLYJAMOHGJQH-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001258533639 807488947 /nfs/dbraw/zinc/48/89/47/807488947.db2.gz DHSLYJAMOHGJQH-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001258533639 807488950 /nfs/dbraw/zinc/48/89/50/807488950.db2.gz DHSLYJAMOHGJQH-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001258533639 807488954 /nfs/dbraw/zinc/48/89/54/807488954.db2.gz DHSLYJAMOHGJQH-MYBQVCMBSA-N 2 2 264.457 3.371 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(NCC(C)(C)C[NH+](C)C)c1 ZINC001168768762 807508949 /nfs/dbraw/zinc/50/89/49/807508949.db2.gz HQVHURPKPQAWNO-UHFFFAOYSA-N 2 2 286.423 3.087 20 0 CGADLP C[C@@H](Cc1cccnc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001258620223 807514611 /nfs/dbraw/zinc/51/46/11/807514611.db2.gz FZGZVGOCXGCSRV-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1[nH+]cn([C@@H](C)Cc2cccc(Cl)c2)c1CC[NH3+] ZINC001258738227 807583759 /nfs/dbraw/zinc/58/37/59/807583759.db2.gz MYCVFXVZERUZOV-NSHDSACASA-N 2 2 277.799 3.150 20 0 CGADLP CCCC[C@H](CCC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258759516 807599328 /nfs/dbraw/zinc/59/93/28/807599328.db2.gz BIDVNIHXAIFHPI-AWEZNQCLSA-N 2 2 263.429 3.411 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258764503 807601821 /nfs/dbraw/zinc/60/18/21/807601821.db2.gz SWBMKSIQRZLWCM-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258764503 807601822 /nfs/dbraw/zinc/60/18/22/807601822.db2.gz SWBMKSIQRZLWCM-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258766897 807602841 /nfs/dbraw/zinc/60/28/41/807602841.db2.gz NNRYJBFFTKPQJM-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258766897 807602843 /nfs/dbraw/zinc/60/28/43/807602843.db2.gz NNRYJBFFTKPQJM-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258766897 807602847 /nfs/dbraw/zinc/60/28/47/807602847.db2.gz NNRYJBFFTKPQJM-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258766897 807602850 /nfs/dbraw/zinc/60/28/50/807602850.db2.gz NNRYJBFFTKPQJM-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258789361 807614246 /nfs/dbraw/zinc/61/42/46/807614246.db2.gz ZSTYNKRLRMOYFM-ZIAGYGMSSA-N 2 2 250.386 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC001169282528 807621920 /nfs/dbraw/zinc/62/19/20/807621920.db2.gz DPUYZQTUFIZQKN-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC001169282528 807621922 /nfs/dbraw/zinc/62/19/22/807621922.db2.gz DPUYZQTUFIZQKN-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258842267 807653824 /nfs/dbraw/zinc/65/38/24/807653824.db2.gz FEDMWCQZEBFPNT-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258842267 807653829 /nfs/dbraw/zinc/65/38/29/807653829.db2.gz FEDMWCQZEBFPNT-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP Fc1ccc2c[nH+]c(NCC34CC[NH+](CC3)CC4)cc2c1 ZINC001169793999 807709043 /nfs/dbraw/zinc/70/90/43/807709043.db2.gz BETFGXRXYAUREO-UHFFFAOYSA-N 2 2 285.366 3.272 20 0 CGADLP Cc1cccc(Nc2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC001212802978 815142732 /nfs/dbraw/zinc/14/27/32/815142732.db2.gz MQPRXZIXTCFKPN-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001170262437 807807930 /nfs/dbraw/zinc/80/79/30/807807930.db2.gz YYRRJKKVXMWWQQ-BBRMVZONSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001170262437 807807934 /nfs/dbraw/zinc/80/79/34/807807934.db2.gz YYRRJKKVXMWWQQ-BBRMVZONSA-N 2 2 292.854 3.345 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC001262359280 807854848 /nfs/dbraw/zinc/85/48/48/807854848.db2.gz SUICFMWNGLSJPA-UHFFFAOYSA-N 2 2 275.396 3.262 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171016971 807961655 /nfs/dbraw/zinc/96/16/55/807961655.db2.gz CYSQACMMBBPPLP-ZFWWWQNUSA-N 2 2 292.854 3.271 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033126 807966418 /nfs/dbraw/zinc/96/64/18/807966418.db2.gz JVZULROSZHVEEV-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171550183 808091046 /nfs/dbraw/zinc/09/10/46/808091046.db2.gz JXEKKQCSHKSIGQ-KRWDZBQOSA-N 2 2 274.452 3.174 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171550183 808091051 /nfs/dbraw/zinc/09/10/51/808091051.db2.gz JXEKKQCSHKSIGQ-KRWDZBQOSA-N 2 2 274.452 3.174 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001171658026 808114344 /nfs/dbraw/zinc/11/43/44/808114344.db2.gz NGTUWHQVIBDNPQ-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC001171658026 808114350 /nfs/dbraw/zinc/11/43/50/808114350.db2.gz NGTUWHQVIBDNPQ-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171780426 808138195 /nfs/dbraw/zinc/13/81/95/808138195.db2.gz JXZJPORKBZJRCA-GDBMZVCRSA-N 2 2 290.426 3.003 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001171959458 808160138 /nfs/dbraw/zinc/16/01/38/808160138.db2.gz ZFOMAGJXDONRGR-LLVKDONJSA-N 2 2 297.324 3.207 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC001172101643 808172257 /nfs/dbraw/zinc/17/22/57/808172257.db2.gz GSVNAWARXCOETC-DEQVHRJGSA-N 2 2 279.453 3.117 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC001172101643 808172261 /nfs/dbraw/zinc/17/22/61/808172261.db2.gz GSVNAWARXCOETC-DEQVHRJGSA-N 2 2 279.453 3.117 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001172105986 808176259 /nfs/dbraw/zinc/17/62/59/808176259.db2.gz LXCSGYVBGZHZRL-XYYAHUGASA-N 2 2 298.352 3.209 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)C2 ZINC001172105986 808176262 /nfs/dbraw/zinc/17/62/62/808176262.db2.gz LXCSGYVBGZHZRL-XYYAHUGASA-N 2 2 298.352 3.209 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172190064 808193154 /nfs/dbraw/zinc/19/31/54/808193154.db2.gz IVNPHUDFTMVRGS-QGZVFWFLSA-N 2 2 298.455 3.164 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172190064 808193157 /nfs/dbraw/zinc/19/31/57/808193157.db2.gz IVNPHUDFTMVRGS-QGZVFWFLSA-N 2 2 298.455 3.164 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CSc2ccccc2C1 ZINC001172203583 808198142 /nfs/dbraw/zinc/19/81/42/808198142.db2.gz TUOGYDRIFCWBFS-INIZCTEOSA-N 2 2 290.476 3.120 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CSc2ccccc2C1 ZINC001172203583 808198146 /nfs/dbraw/zinc/19/81/46/808198146.db2.gz TUOGYDRIFCWBFS-INIZCTEOSA-N 2 2 290.476 3.120 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172322952 808232134 /nfs/dbraw/zinc/23/21/34/808232134.db2.gz ZJTCSSTXQASOLV-JKSUJKDBSA-N 2 2 270.461 3.046 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172388651 808280663 /nfs/dbraw/zinc/28/06/63/808280663.db2.gz NGLXENPUTVJIJY-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172388651 808280665 /nfs/dbraw/zinc/28/06/65/808280665.db2.gz NGLXENPUTVJIJY-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC001172536572 808370624 /nfs/dbraw/zinc/37/06/24/808370624.db2.gz ZJQYEHSHGNRHIO-MSOLQXFVSA-N 2 2 272.436 3.398 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001172552525 808381321 /nfs/dbraw/zinc/38/13/21/808381321.db2.gz MHBQHBGLKAPPME-MJGOQNOKSA-N 2 2 284.447 3.493 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001172552525 808381330 /nfs/dbraw/zinc/38/13/30/808381330.db2.gz MHBQHBGLKAPPME-MJGOQNOKSA-N 2 2 284.447 3.493 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570322 808395504 /nfs/dbraw/zinc/39/55/04/808395504.db2.gz VVYMNCCSHILJCW-MKXGPGLRSA-N 2 2 284.447 3.349 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570322 808395510 /nfs/dbraw/zinc/39/55/10/808395510.db2.gz VVYMNCCSHILJCW-MKXGPGLRSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570322 808395518 /nfs/dbraw/zinc/39/55/18/808395518.db2.gz VVYMNCCSHILJCW-MKXGPGLRSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]21 ZINC001172570322 808395526 /nfs/dbraw/zinc/39/55/26/808395526.db2.gz VVYMNCCSHILJCW-MKXGPGLRSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+](C)CCOc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213032203 815205803 /nfs/dbraw/zinc/20/58/03/815205803.db2.gz XTHLAIOVLDHMTO-UHFFFAOYSA-N 2 2 296.374 3.247 20 0 CGADLP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001172928885 808485729 /nfs/dbraw/zinc/48/57/29/808485729.db2.gz MEXUQTJXCSBTQG-HZPDHXFCSA-N 2 2 285.391 3.139 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCC3)C2)cc1 ZINC001173237290 808545821 /nfs/dbraw/zinc/54/58/21/808545821.db2.gz ARIDVNQRQQLVCN-QAPCUYQASA-N 2 2 286.463 3.396 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCC3)C2)cc1 ZINC001173237290 808545824 /nfs/dbraw/zinc/54/58/24/808545824.db2.gz ARIDVNQRQQLVCN-QAPCUYQASA-N 2 2 286.463 3.396 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001173256315 808562137 /nfs/dbraw/zinc/56/21/37/808562137.db2.gz JSUXSCUTNZZYQX-IRXDYDNUSA-N 2 2 296.499 3.434 20 0 CGADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001173256315 808562142 /nfs/dbraw/zinc/56/21/42/808562142.db2.gz JSUXSCUTNZZYQX-IRXDYDNUSA-N 2 2 296.499 3.434 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173260946 808566088 /nfs/dbraw/zinc/56/60/88/808566088.db2.gz VGLFSSAUYIALOL-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001173260946 808566096 /nfs/dbraw/zinc/56/60/96/808566096.db2.gz VGLFSSAUYIALOL-ZWKOTPCHSA-N 2 2 296.499 3.388 20 0 CGADLP FC(F)(F)CCC[N@@H+]1CCC2(C[NH+](CC3CCC3)C2)C1 ZINC001275181113 808920046 /nfs/dbraw/zinc/92/00/46/808920046.db2.gz SFPWHQGMMSNWMA-UHFFFAOYSA-N 2 2 290.373 3.137 20 0 CGADLP FC(F)(F)CCC[N@H+]1CCC2(C[NH+](CC3CCC3)C2)C1 ZINC001275181113 808920053 /nfs/dbraw/zinc/92/00/53/808920053.db2.gz SFPWHQGMMSNWMA-UHFFFAOYSA-N 2 2 290.373 3.137 20 0 CGADLP Cc1cn2c(cccc2Nc2ccc3[nH+]ccn3c2)[nH+]1 ZINC001174276412 808922452 /nfs/dbraw/zinc/92/24/52/808922452.db2.gz YJLJCKYVGYUGKH-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cc(C)cc3F)(C1)CCC2 ZINC001276175224 808992090 /nfs/dbraw/zinc/99/20/90/808992090.db2.gz YEFIXNGPWKJNCZ-DLBZAZTESA-N 2 2 294.389 3.428 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796527 809032339 /nfs/dbraw/zinc/03/23/39/809032339.db2.gz LOGIVLGVHPJJCA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796527 809032345 /nfs/dbraw/zinc/03/23/45/809032345.db2.gz LOGIVLGVHPJJCA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796527 809032351 /nfs/dbraw/zinc/03/23/51/809032351.db2.gz LOGIVLGVHPJJCA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796527 809032354 /nfs/dbraw/zinc/03/23/54/809032354.db2.gz LOGIVLGVHPJJCA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796525 809032412 /nfs/dbraw/zinc/03/24/12/809032412.db2.gz LOGIVLGVHPJJCA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796525 809032419 /nfs/dbraw/zinc/03/24/19/809032419.db2.gz LOGIVLGVHPJJCA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796525 809032425 /nfs/dbraw/zinc/03/24/25/809032425.db2.gz LOGIVLGVHPJJCA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)C2 ZINC001276796525 809032431 /nfs/dbraw/zinc/03/24/31/809032431.db2.gz LOGIVLGVHPJJCA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](C3CC3)C2)C1 ZINC001277921446 809105021 /nfs/dbraw/zinc/10/50/21/809105021.db2.gz DDONSVHUQHIFAG-HNNXBMFYSA-N 2 2 264.457 3.373 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](C3CC3)C2)C1 ZINC001277921446 809105025 /nfs/dbraw/zinc/10/50/25/809105025.db2.gz DDONSVHUQHIFAG-HNNXBMFYSA-N 2 2 264.457 3.373 20 0 CGADLP Cc1cc(Nc2ccc(N(C)C)[nH+]c2)c2ccccc2[nH+]1 ZINC001175338470 809363524 /nfs/dbraw/zinc/36/35/24/809363524.db2.gz WFZLUSNEKUWERU-UHFFFAOYSA-N 2 2 278.359 3.170 20 0 CGADLP CN(C)c1ccc(Nc2c[nH+]ccc2N2CCCCC2)c[nH+]1 ZINC001175340769 809366118 /nfs/dbraw/zinc/36/61/18/809366118.db2.gz FCDACTTWFXYRMD-UHFFFAOYSA-N 2 2 297.406 3.277 20 0 CGADLP Nc1ccc[nH+]c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361743 809379077 /nfs/dbraw/zinc/37/90/77/809379077.db2.gz WMAQHCDPZDYXDY-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP Cc1ccc(C)c(Nc2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC001175857395 809559688 /nfs/dbraw/zinc/55/96/88/809559688.db2.gz XYJKQUKPLFGUPZ-UHFFFAOYSA-N 2 2 297.402 3.274 20 0 CGADLP COc1cc[nH+]cc1Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC001176124657 809630428 /nfs/dbraw/zinc/63/04/28/809630428.db2.gz UBQMIUQDVCSZBE-HNNXBMFYSA-N 2 2 299.374 3.219 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H](C3CCCC3)C2)c[nH+]1 ZINC001176939202 809771309 /nfs/dbraw/zinc/77/13/09/809771309.db2.gz DSEDFQAGKPTVHX-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H](C3CCCC3)C2)c[nH+]1 ZINC001176939202 809771312 /nfs/dbraw/zinc/77/13/12/809771312.db2.gz DSEDFQAGKPTVHX-INIZCTEOSA-N 2 2 261.413 3.175 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC001181436226 810053201 /nfs/dbraw/zinc/05/32/01/810053201.db2.gz NKMWQBPDEQZZLC-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC001181436226 810053207 /nfs/dbraw/zinc/05/32/07/810053207.db2.gz NKMWQBPDEQZZLC-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378819 810147210 /nfs/dbraw/zinc/14/72/10/810147210.db2.gz FMXPGABWUFONFM-KBMXLJTQSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378819 810147212 /nfs/dbraw/zinc/14/72/12/810147212.db2.gz FMXPGABWUFONFM-KBMXLJTQSA-N 2 2 282.497 3.125 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(Sc2ccccc2)C1 ZINC001184155244 810179271 /nfs/dbraw/zinc/17/92/71/810179271.db2.gz ZVBIXRZUXLZFBW-ISXOHVOVSA-N 2 2 290.476 3.384 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(Sc2ccccc2)C1 ZINC001184155244 810179273 /nfs/dbraw/zinc/17/92/73/810179273.db2.gz ZVBIXRZUXLZFBW-ISXOHVOVSA-N 2 2 290.476 3.384 20 0 CGADLP CCc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001184839469 810221414 /nfs/dbraw/zinc/22/14/14/810221414.db2.gz JQHJNTPBCKUXEF-UONOGXRCSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001184839469 810221418 /nfs/dbraw/zinc/22/14/18/810221418.db2.gz JQHJNTPBCKUXEF-UONOGXRCSA-N 2 2 290.455 3.134 20 0 CGADLP CC[N@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201664124 811933103 /nfs/dbraw/zinc/93/31/03/811933103.db2.gz VXJLRXJGUCIJMY-UHFFFAOYSA-N 2 2 260.425 3.035 20 0 CGADLP CC[N@@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201664124 811933106 /nfs/dbraw/zinc/93/31/06/811933106.db2.gz VXJLRXJGUCIJMY-UHFFFAOYSA-N 2 2 260.425 3.035 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001203712914 812437880 /nfs/dbraw/zinc/43/78/80/812437880.db2.gz NJMVIXUYOKBOCL-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001203712914 812437884 /nfs/dbraw/zinc/43/78/84/812437884.db2.gz NJMVIXUYOKBOCL-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204089773 812546459 /nfs/dbraw/zinc/54/64/59/812546459.db2.gz IKHDMESZXQOOTJ-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204089773 812546462 /nfs/dbraw/zinc/54/64/62/812546462.db2.gz IKHDMESZXQOOTJ-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243791 812583953 /nfs/dbraw/zinc/58/39/53/812583953.db2.gz KBNSEWFUNQTIJY-RTBURBONSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243791 812583955 /nfs/dbraw/zinc/58/39/55/812583955.db2.gz KBNSEWFUNQTIJY-RTBURBONSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243791 812583959 /nfs/dbraw/zinc/58/39/59/812583959.db2.gz KBNSEWFUNQTIJY-RTBURBONSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243791 812583965 /nfs/dbraw/zinc/58/39/65/812583965.db2.gz KBNSEWFUNQTIJY-RTBURBONSA-N 2 2 296.414 3.234 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001204645969 812700020 /nfs/dbraw/zinc/70/00/20/812700020.db2.gz DBMCBOLUYOJMCQ-QGZVFWFLSA-N 2 2 268.404 3.445 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC001204645969 812700023 /nfs/dbraw/zinc/70/00/23/812700023.db2.gz DBMCBOLUYOJMCQ-QGZVFWFLSA-N 2 2 268.404 3.445 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001204932290 812782098 /nfs/dbraw/zinc/78/20/98/812782098.db2.gz IZAGUDPVICWUFK-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2nc(Cl)ccc2c1 ZINC001204932290 812782104 /nfs/dbraw/zinc/78/21/04/812782104.db2.gz IZAGUDPVICWUFK-CQSZACIVSA-N 2 2 289.810 3.201 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001204933866 812783723 /nfs/dbraw/zinc/78/37/23/812783723.db2.gz XLHGRNPRPSAVIG-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001204933866 812783725 /nfs/dbraw/zinc/78/37/25/812783725.db2.gz XLHGRNPRPSAVIG-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001204938067 812786479 /nfs/dbraw/zinc/78/64/79/812786479.db2.gz HYCQROWCSSJWEZ-KRWDZBQOSA-N 2 2 272.367 3.292 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001204938067 812786484 /nfs/dbraw/zinc/78/64/84/812786484.db2.gz HYCQROWCSSJWEZ-KRWDZBQOSA-N 2 2 272.367 3.292 20 0 CGADLP Cc1cn2cc(Nc3ccn4cc[nH+]c4c3)ccc2[nH+]1 ZINC001204966494 812800392 /nfs/dbraw/zinc/80/03/92/812800392.db2.gz VLRNWZULFZMWAN-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205095015 812861800 /nfs/dbraw/zinc/86/18/00/812861800.db2.gz SSCLLLOXZRZBHZ-NSHDSACASA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205095015 812861810 /nfs/dbraw/zinc/86/18/10/812861810.db2.gz SSCLLLOXZRZBHZ-NSHDSACASA-N 2 2 277.799 3.135 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102147 812867351 /nfs/dbraw/zinc/86/73/51/812867351.db2.gz PDFWQDOFIRUIES-AWEZNQCLSA-N 2 2 282.815 3.052 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102147 812867359 /nfs/dbraw/zinc/86/73/59/812867359.db2.gz PDFWQDOFIRUIES-AWEZNQCLSA-N 2 2 282.815 3.052 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205303162 812940739 /nfs/dbraw/zinc/94/07/39/812940739.db2.gz ABZMMVMRCDLWDG-PWSUYJOCSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205303162 812940743 /nfs/dbraw/zinc/94/07/43/812940743.db2.gz ABZMMVMRCDLWDG-PWSUYJOCSA-N 2 2 284.806 3.204 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1C(C)C ZINC001205330901 812957565 /nfs/dbraw/zinc/95/75/65/812957565.db2.gz AFIWPUJLNTXUPQ-OAHLLOKOSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1C(C)C ZINC001205330901 812957569 /nfs/dbraw/zinc/95/75/69/812957569.db2.gz AFIWPUJLNTXUPQ-OAHLLOKOSA-N 2 2 290.451 3.311 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001205650567 813042682 /nfs/dbraw/zinc/04/26/82/813042682.db2.gz OTJUNJGDIMCUHY-QXSJWSMHSA-N 2 2 264.457 3.133 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001205650567 813042687 /nfs/dbraw/zinc/04/26/87/813042687.db2.gz OTJUNJGDIMCUHY-QXSJWSMHSA-N 2 2 264.457 3.133 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205933087 813140329 /nfs/dbraw/zinc/14/03/29/813140329.db2.gz XSBYNEWZUYLIJU-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205933087 813140332 /nfs/dbraw/zinc/14/03/32/813140332.db2.gz XSBYNEWZUYLIJU-INIZCTEOSA-N 2 2 276.424 3.179 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3oc4ccccc4c3c2)C[C@H]1[NH3+] ZINC001206058667 813185420 /nfs/dbraw/zinc/18/54/20/813185420.db2.gz MSLCBCVWBSASFI-MLGOLLRUSA-N 2 2 280.371 3.365 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)C[C@H]1[NH3+] ZINC001206058667 813185427 /nfs/dbraw/zinc/18/54/27/813185427.db2.gz MSLCBCVWBSASFI-MLGOLLRUSA-N 2 2 280.371 3.365 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc2c1 ZINC001206342763 813296128 /nfs/dbraw/zinc/29/61/28/813296128.db2.gz BOLCSUYEVUYAAS-KRWDZBQOSA-N 2 2 289.398 3.129 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc2c1 ZINC001206342763 813296132 /nfs/dbraw/zinc/29/61/32/813296132.db2.gz BOLCSUYEVUYAAS-KRWDZBQOSA-N 2 2 289.398 3.129 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363076 813304516 /nfs/dbraw/zinc/30/45/16/813304516.db2.gz SXTYOMXYHCFULZ-OAHLLOKOSA-N 2 2 282.428 3.061 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206363076 813304522 /nfs/dbraw/zinc/30/45/22/813304522.db2.gz SXTYOMXYHCFULZ-OAHLLOKOSA-N 2 2 282.428 3.061 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206369397 813306063 /nfs/dbraw/zinc/30/60/63/813306063.db2.gz DDXLRLDYXICILI-MRXNPFEDSA-N 2 2 294.345 3.225 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001206369397 813306066 /nfs/dbraw/zinc/30/60/66/813306066.db2.gz DDXLRLDYXICILI-MRXNPFEDSA-N 2 2 294.345 3.225 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206380675 813309782 /nfs/dbraw/zinc/30/97/82/813309782.db2.gz RQUWLQRUBVSYFD-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206380675 813309790 /nfs/dbraw/zinc/30/97/90/813309790.db2.gz RQUWLQRUBVSYFD-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206549817 813349729 /nfs/dbraw/zinc/34/97/29/813349729.db2.gz QCRHAKDZWFUMSN-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206549817 813349734 /nfs/dbraw/zinc/34/97/34/813349734.db2.gz QCRHAKDZWFUMSN-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCCc1ccc(F)c(F)c1 ZINC001206628544 813379613 /nfs/dbraw/zinc/37/96/13/813379613.db2.gz HQSKROVFPUKCOC-CQSZACIVSA-N 2 2 296.405 3.360 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCCc1ccc(F)c(F)c1 ZINC001206628544 813379619 /nfs/dbraw/zinc/37/96/19/813379619.db2.gz HQSKROVFPUKCOC-CQSZACIVSA-N 2 2 296.405 3.360 20 0 CGADLP Fc1ccccc1CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001207489990 813574372 /nfs/dbraw/zinc/57/43/72/813574372.db2.gz JLHIZVNTIWEIIF-UHFFFAOYSA-N 2 2 290.426 3.319 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCc2ccccc2F)CC1 ZINC001207502290 813580248 /nfs/dbraw/zinc/58/02/48/813580248.db2.gz TWKBLWVOXQCDDK-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC001207603379 813607482 /nfs/dbraw/zinc/60/74/82/813607482.db2.gz IKRJKWGEWIWOGK-WMLDXEAASA-N 2 2 260.425 3.035 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC001207603379 813607489 /nfs/dbraw/zinc/60/74/89/813607489.db2.gz IKRJKWGEWIWOGK-WMLDXEAASA-N 2 2 260.425 3.035 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612250 813772565 /nfs/dbraw/zinc/77/25/65/813772565.db2.gz LMFFAAYGWLYNAM-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612250 813772570 /nfs/dbraw/zinc/77/25/70/813772570.db2.gz LMFFAAYGWLYNAM-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612250 813772575 /nfs/dbraw/zinc/77/25/75/813772575.db2.gz LMFFAAYGWLYNAM-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612250 813772580 /nfs/dbraw/zinc/77/25/80/813772580.db2.gz LMFFAAYGWLYNAM-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CCC4CCCC4)C[C@H]3C2)c1 ZINC001208694003 813798696 /nfs/dbraw/zinc/79/86/96/813798696.db2.gz UUNPVFKOYFJRFM-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@H]3C2)c1 ZINC001208694003 813798703 /nfs/dbraw/zinc/79/87/03/813798703.db2.gz UUNPVFKOYFJRFM-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)c1 ZINC001208694003 813798711 /nfs/dbraw/zinc/79/87/11/813798711.db2.gz UUNPVFKOYFJRFM-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)c1 ZINC001208694003 813798718 /nfs/dbraw/zinc/79/87/18/813798718.db2.gz UUNPVFKOYFJRFM-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209109517 813936373 /nfs/dbraw/zinc/93/63/73/813936373.db2.gz FJQGJVOATAWRBO-UHFFFAOYSA-N 2 2 293.773 3.042 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209109517 813936380 /nfs/dbraw/zinc/93/63/80/813936380.db2.gz FJQGJVOATAWRBO-UHFFFAOYSA-N 2 2 293.773 3.042 20 0 CGADLP CC[N@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209113815 813938496 /nfs/dbraw/zinc/93/84/96/813938496.db2.gz ZEUNDUJYBVXLDJ-UHFFFAOYSA-N 2 2 298.833 3.438 20 0 CGADLP CC[N@@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209113815 813938497 /nfs/dbraw/zinc/93/84/97/813938497.db2.gz ZEUNDUJYBVXLDJ-UHFFFAOYSA-N 2 2 298.833 3.438 20 0 CGADLP COC(C)(C)CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209409783 814018033 /nfs/dbraw/zinc/01/80/33/814018033.db2.gz YDTMILNCUWLHQH-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP COC(C)(C)CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209409783 814018037 /nfs/dbraw/zinc/01/80/37/814018037.db2.gz YDTMILNCUWLHQH-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cc(F)ccc12)C1CC[NH+](C)CC1 ZINC001209693250 814113629 /nfs/dbraw/zinc/11/36/29/814113629.db2.gz SKSFFLKPRZDOJQ-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cc(F)ccc12)C1CC[NH+](C)CC1 ZINC001209693250 814113633 /nfs/dbraw/zinc/11/36/33/814113633.db2.gz SKSFFLKPRZDOJQ-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)CC[NH2+]1 ZINC001210496730 814489614 /nfs/dbraw/zinc/48/96/14/814489614.db2.gz JCSBTUCRGKIHSY-CQSZACIVSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[NH2+]1 ZINC001210496730 814489617 /nfs/dbraw/zinc/48/96/17/814489617.db2.gz JCSBTUCRGKIHSY-CQSZACIVSA-N 2 2 260.425 3.168 20 0 CGADLP Cc1cc(C[NH+]2CC(C[NH3+])C2)ccc1Oc1ccccc1 ZINC001210542878 814517166 /nfs/dbraw/zinc/51/71/66/814517166.db2.gz CFYAHIUJVVCNJE-UHFFFAOYSA-N 2 2 282.387 3.178 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001210561848 814528195 /nfs/dbraw/zinc/52/81/95/814528195.db2.gz WSASSSWCQVUVQQ-UHFFFAOYSA-N 2 2 296.414 3.013 20 0 CGADLP COc1cc(Nc2cc(C)nn2-c2cc[nH+]cc2)cc(C)[nH+]1 ZINC001210779035 814624613 /nfs/dbraw/zinc/62/46/13/814624613.db2.gz CSGOIISLYXHHTP-UHFFFAOYSA-N 2 2 295.346 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191016 816370097 /nfs/dbraw/zinc/37/00/97/816370097.db2.gz HUOBZUWNNLXLBC-MRXNPFEDSA-N 2 2 250.430 3.175 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222191016 816370109 /nfs/dbraw/zinc/37/01/09/816370109.db2.gz HUOBZUWNNLXLBC-MRXNPFEDSA-N 2 2 250.430 3.175 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222244396 816385239 /nfs/dbraw/zinc/38/52/39/816385239.db2.gz XPTBAOBJKOGYPE-INIZCTEOSA-N 2 2 278.465 3.419 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222244396 816385245 /nfs/dbraw/zinc/38/52/45/816385245.db2.gz XPTBAOBJKOGYPE-INIZCTEOSA-N 2 2 278.465 3.419 20 0 CGADLP Fc1cc2cc[nH]c2c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259279 816389840 /nfs/dbraw/zinc/38/98/40/816389840.db2.gz MRLHMRSVSUNFOD-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cc2cc[nH]c2c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222259279 816389846 /nfs/dbraw/zinc/38/98/46/816389846.db2.gz MRLHMRSVSUNFOD-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222278271 816393903 /nfs/dbraw/zinc/39/39/03/816393903.db2.gz ZMVOQLITNHFBGI-SFHVURJKSA-N 2 2 289.467 3.278 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222278271 816393911 /nfs/dbraw/zinc/39/39/11/816393911.db2.gz ZMVOQLITNHFBGI-SFHVURJKSA-N 2 2 289.467 3.278 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222354867 816417937 /nfs/dbraw/zinc/41/79/37/816417937.db2.gz ONKBLGXXHYIREA-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222354867 816417942 /nfs/dbraw/zinc/41/79/42/816417942.db2.gz ONKBLGXXHYIREA-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228557208 817937836 /nfs/dbraw/zinc/93/78/36/817937836.db2.gz WFENVYKFUGCMLU-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cccnc23)CC1 ZINC001231494103 818112978 /nfs/dbraw/zinc/11/29/78/818112978.db2.gz LQTFAFUOOBTSEU-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2ncsc21 ZINC001232736740 818428699 /nfs/dbraw/zinc/42/86/99/818428699.db2.gz OUXYNFUMEPYFMA-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2ncsc21 ZINC001232736740 818428702 /nfs/dbraw/zinc/42/87/02/818428702.db2.gz OUXYNFUMEPYFMA-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP Cc1cc(O)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001232883475 818464077 /nfs/dbraw/zinc/46/40/77/818464077.db2.gz NAWWSHAAYBIQHR-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1cc(O)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001232883475 818464079 /nfs/dbraw/zinc/46/40/79/818464079.db2.gz NAWWSHAAYBIQHR-QGZVFWFLSA-N 2 2 298.386 3.057 20 0 CGADLP COc1cc(C[NH+](C(C)C)C(C)C)ccc1-n1cc[nH+]c1 ZINC001234031843 818761482 /nfs/dbraw/zinc/76/14/82/818761482.db2.gz AVGNAOZIQNDIRY-UHFFFAOYSA-N 2 2 287.407 3.500 20 0 CGADLP COc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC001234065934 818771403 /nfs/dbraw/zinc/77/14/03/818771403.db2.gz HWSNEVHLYYHJRJ-UHFFFAOYSA-N 2 2 297.402 3.257 20 0 CGADLP COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1-n1cc[nH+]c1 ZINC001234065934 818771411 /nfs/dbraw/zinc/77/14/11/818771411.db2.gz HWSNEVHLYYHJRJ-UHFFFAOYSA-N 2 2 297.402 3.257 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997900 818971920 /nfs/dbraw/zinc/97/19/20/818971920.db2.gz LRPNKGFANXOTJJ-KRWDZBQOSA-N 2 2 288.366 3.147 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997900 818971924 /nfs/dbraw/zinc/97/19/24/818971924.db2.gz LRPNKGFANXOTJJ-KRWDZBQOSA-N 2 2 288.366 3.147 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235006859 818976547 /nfs/dbraw/zinc/97/65/47/818976547.db2.gz KOABNTJKYYBURD-UHFFFAOYSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235006859 818976555 /nfs/dbraw/zinc/97/65/55/818976555.db2.gz KOABNTJKYYBURD-UHFFFAOYSA-N 2 2 290.410 3.181 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c2ccccc12 ZINC001235076679 818996813 /nfs/dbraw/zinc/99/68/13/818996813.db2.gz GHEGPUZTTRPUBY-QZTJIDSGSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c2ccccc12 ZINC001235076679 818996820 /nfs/dbraw/zinc/99/68/20/818996820.db2.gz GHEGPUZTTRPUBY-QZTJIDSGSA-N 2 2 266.388 3.084 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189075 819029856 /nfs/dbraw/zinc/02/98/56/819029856.db2.gz VXBAQZVHLGHEPF-SUMWQHHRSA-N 2 2 297.446 3.259 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189075 819029861 /nfs/dbraw/zinc/02/98/61/819029861.db2.gz VXBAQZVHLGHEPF-SUMWQHHRSA-N 2 2 297.446 3.259 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197849 819033850 /nfs/dbraw/zinc/03/38/50/819033850.db2.gz KGPLZKQUGPFUPE-DGCLKSJQSA-N 2 2 296.867 3.103 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197849 819033853 /nfs/dbraw/zinc/03/38/53/819033853.db2.gz KGPLZKQUGPFUPE-DGCLKSJQSA-N 2 2 296.867 3.103 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235494 819043030 /nfs/dbraw/zinc/04/30/30/819043030.db2.gz LMTASGFYVLOZIP-JNXQLMTMSA-N 2 2 250.430 3.339 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235494 819043034 /nfs/dbraw/zinc/04/30/34/819043034.db2.gz LMTASGFYVLOZIP-JNXQLMTMSA-N 2 2 250.430 3.339 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235241416 819045727 /nfs/dbraw/zinc/04/57/27/819045727.db2.gz UHGPZNWFOMQBJN-MLGOLLRUSA-N 2 2 289.810 3.135 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235241416 819045731 /nfs/dbraw/zinc/04/57/31/819045731.db2.gz UHGPZNWFOMQBJN-MLGOLLRUSA-N 2 2 289.810 3.135 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c(C)c12 ZINC001235260246 819055332 /nfs/dbraw/zinc/05/53/32/819055332.db2.gz NUCCRACQVPXQNY-VXGBXAGGSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c(C)c12 ZINC001235260246 819055337 /nfs/dbraw/zinc/05/53/37/819055337.db2.gz NUCCRACQVPXQNY-VXGBXAGGSA-N 2 2 292.473 3.373 20 0 CGADLP c1ccc(Cc2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264332 819057846 /nfs/dbraw/zinc/05/78/46/819057846.db2.gz WYRKQISWZYWQLK-WOJBJXKFSA-N 2 2 292.426 3.071 20 0 CGADLP c1ccc(Cc2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)cc2)cc1 ZINC001235264332 819057852 /nfs/dbraw/zinc/05/78/52/819057852.db2.gz WYRKQISWZYWQLK-WOJBJXKFSA-N 2 2 292.426 3.071 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400672 819085464 /nfs/dbraw/zinc/08/54/64/819085464.db2.gz FFEYEPQQWOSCOI-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400672 819085468 /nfs/dbraw/zinc/08/54/68/819085468.db2.gz FFEYEPQQWOSCOI-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400669 819085968 /nfs/dbraw/zinc/08/59/68/819085968.db2.gz FFEYEPQQWOSCOI-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400669 819085971 /nfs/dbraw/zinc/08/59/71/819085971.db2.gz FFEYEPQQWOSCOI-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001235681391 819140597 /nfs/dbraw/zinc/14/05/97/819140597.db2.gz ZFGYANQDWQNABS-NSHDSACASA-N 2 2 286.341 3.232 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235709388 819147189 /nfs/dbraw/zinc/14/71/89/819147189.db2.gz GFWVNOSBDRDZKV-JKSUJKDBSA-N 2 2 296.842 3.058 20 0 CGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235709388 819147190 /nfs/dbraw/zinc/14/71/90/819147190.db2.gz GFWVNOSBDRDZKV-JKSUJKDBSA-N 2 2 296.842 3.058 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001235725002 819153338 /nfs/dbraw/zinc/15/33/38/819153338.db2.gz MTBYFZTVSPEZEQ-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001235725002 819153343 /nfs/dbraw/zinc/15/33/43/819153343.db2.gz MTBYFZTVSPEZEQ-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235725459 819153841 /nfs/dbraw/zinc/15/38/41/819153841.db2.gz PGSPDWNCHNFPEK-KRWDZBQOSA-N 2 2 278.399 3.181 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235725459 819153844 /nfs/dbraw/zinc/15/38/44/819153844.db2.gz PGSPDWNCHNFPEK-KRWDZBQOSA-N 2 2 278.399 3.181 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235796266 819170477 /nfs/dbraw/zinc/17/04/77/819170477.db2.gz RCVVLAATZLXEEC-MJGOQNOKSA-N 2 2 280.415 3.371 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235796266 819170481 /nfs/dbraw/zinc/17/04/81/819170481.db2.gz RCVVLAATZLXEEC-MJGOQNOKSA-N 2 2 280.415 3.371 20 0 CGADLP Fc1ccccc1CC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC001235866329 819189725 /nfs/dbraw/zinc/18/97/25/819189725.db2.gz JJNLRYCGOKLXMU-QGZVFWFLSA-N 2 2 290.426 3.222 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891249 819199958 /nfs/dbraw/zinc/19/99/58/819199958.db2.gz HKXHANZSNWJJON-CVEARBPZSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891249 819199961 /nfs/dbraw/zinc/19/99/61/819199961.db2.gz HKXHANZSNWJJON-CVEARBPZSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907739 819217656 /nfs/dbraw/zinc/21/76/56/819217656.db2.gz SUPMNBIDPQTGOU-GXTWGEPZSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907739 819217661 /nfs/dbraw/zinc/21/76/61/819217661.db2.gz SUPMNBIDPQTGOU-GXTWGEPZSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)c1cccc2ccccc21 ZINC001235909575 819218266 /nfs/dbraw/zinc/21/82/66/819218266.db2.gz HSXZZHRNXXUWJR-DOPJRALCSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)c1cccc2ccccc21 ZINC001235909575 819218272 /nfs/dbraw/zinc/21/82/72/819218272.db2.gz HSXZZHRNXXUWJR-DOPJRALCSA-N 2 2 286.394 3.314 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2sccc21 ZINC001235909154 819218745 /nfs/dbraw/zinc/21/87/45/819218745.db2.gz ZURWJMBAGUVJFJ-WCQYABFASA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001235909154 819218751 /nfs/dbraw/zinc/21/87/51/819218751.db2.gz ZURWJMBAGUVJFJ-WCQYABFASA-N 2 2 260.406 3.213 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960509 819249794 /nfs/dbraw/zinc/24/97/94/819249794.db2.gz YHIYWYODPUYLEK-CCWDJLKJSA-N 2 2 296.414 3.018 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960509 819249798 /nfs/dbraw/zinc/24/97/98/819249798.db2.gz YHIYWYODPUYLEK-CCWDJLKJSA-N 2 2 296.414 3.018 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981702 819259182 /nfs/dbraw/zinc/25/91/82/819259182.db2.gz RYQDXUDIFBDVQW-HNAYVOBHSA-N 2 2 296.414 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981702 819259184 /nfs/dbraw/zinc/25/91/84/819259184.db2.gz RYQDXUDIFBDVQW-HNAYVOBHSA-N 2 2 296.414 3.162 20 0 CGADLP CCc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236006901 819270840 /nfs/dbraw/zinc/27/08/40/819270840.db2.gz KRQPXTNPSLJVEQ-QGZVFWFLSA-N 2 2 290.451 3.091 20 0 CGADLP CCc1cc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236006901 819270842 /nfs/dbraw/zinc/27/08/42/819270842.db2.gz KRQPXTNPSLJVEQ-QGZVFWFLSA-N 2 2 290.451 3.091 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007967 819272748 /nfs/dbraw/zinc/27/27/48/819272748.db2.gz OOGJFVDTWCTZAY-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007967 819272751 /nfs/dbraw/zinc/27/27/51/819272751.db2.gz OOGJFVDTWCTZAY-MRXNPFEDSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236045526 819284368 /nfs/dbraw/zinc/28/43/68/819284368.db2.gz VQCFJLHDVCZHFJ-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236045526 819284374 /nfs/dbraw/zinc/28/43/74/819284374.db2.gz VQCFJLHDVCZHFJ-DOTOQJQBSA-N 2 2 290.451 3.425 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050386 819287633 /nfs/dbraw/zinc/28/76/33/819287633.db2.gz RLDIYRPUHMNXHL-TZMCWYRMSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050386 819287639 /nfs/dbraw/zinc/28/76/39/819287639.db2.gz RLDIYRPUHMNXHL-TZMCWYRMSA-N 2 2 272.367 3.148 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236202768 819366391 /nfs/dbraw/zinc/36/63/91/819366391.db2.gz TVUVCJXFLYNYJH-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236202768 819366397 /nfs/dbraw/zinc/36/63/97/819366397.db2.gz TVUVCJXFLYNYJH-SFHVURJKSA-N 2 2 268.404 3.414 20 0 CGADLP CCc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc(CC)c1O ZINC001236207161 819368508 /nfs/dbraw/zinc/36/85/08/819368508.db2.gz OZVMEQKEWPJCRD-GOSISDBHSA-N 2 2 290.451 3.091 20 0 CGADLP CCc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc(CC)c1O ZINC001236207161 819368511 /nfs/dbraw/zinc/36/85/11/819368511.db2.gz OZVMEQKEWPJCRD-GOSISDBHSA-N 2 2 290.451 3.091 20 0 CGADLP C[N@H+](Cc1ccc(C2CC2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207738 819370809 /nfs/dbraw/zinc/37/08/09/819370809.db2.gz RLXJHBQRBTYCFE-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207738 819370816 /nfs/dbraw/zinc/37/08/16/819370816.db2.gz RLXJHBQRBTYCFE-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236238102 819397592 /nfs/dbraw/zinc/39/75/92/819397592.db2.gz ZDBCXHGBXVKWDU-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236238102 819397603 /nfs/dbraw/zinc/39/76/03/819397603.db2.gz ZDBCXHGBXVKWDU-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)cccc2n1 ZINC001236238590 819398432 /nfs/dbraw/zinc/39/84/32/819398432.db2.gz BVPWQPHZXKVBBB-KRWDZBQOSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)cccc2n1 ZINC001236238590 819398438 /nfs/dbraw/zinc/39/84/38/819398438.db2.gz BVPWQPHZXKVBBB-KRWDZBQOSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1cc(C[NH+]2CCC[NH2+]CCC2)cc(C)c1Cl ZINC001236240919 819399433 /nfs/dbraw/zinc/39/94/33/819399433.db2.gz OMIZJUPQTSWQFR-UHFFFAOYSA-N 2 2 266.816 3.142 20 0 CGADLP Cc1ccc2cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2n1 ZINC001236240056 819400376 /nfs/dbraw/zinc/40/03/76/819400376.db2.gz OFYLJSWCXLAHOI-SFHVURJKSA-N 2 2 295.430 3.260 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2n1 ZINC001236240056 819400379 /nfs/dbraw/zinc/40/03/79/819400379.db2.gz OFYLJSWCXLAHOI-SFHVURJKSA-N 2 2 295.430 3.260 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236353672 819431903 /nfs/dbraw/zinc/43/19/03/819431903.db2.gz LVBFZKKTGSOJFP-UHFFFAOYSA-N 2 2 289.382 3.400 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395853 819450041 /nfs/dbraw/zinc/45/00/41/819450041.db2.gz UECJXJXYEJWLKR-UNEWFSDZSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395853 819450044 /nfs/dbraw/zinc/45/00/44/819450044.db2.gz UECJXJXYEJWLKR-UNEWFSDZSA-N 2 2 276.399 3.036 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409778 819457626 /nfs/dbraw/zinc/45/76/26/819457626.db2.gz WFWFSCHQGSPOAM-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+](Cc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236409778 819457628 /nfs/dbraw/zinc/45/76/28/819457628.db2.gz WFWFSCHQGSPOAM-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421328 819468167 /nfs/dbraw/zinc/46/81/67/819468167.db2.gz UGVCMVLGYDMUQO-RHSMWYFYSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236421328 819468171 /nfs/dbraw/zinc/46/81/71/819468171.db2.gz UGVCMVLGYDMUQO-RHSMWYFYSA-N 2 2 276.424 3.094 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC001236422380 819469460 /nfs/dbraw/zinc/46/94/60/819469460.db2.gz SOTZAGLSXKRYHV-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC001236422380 819469463 /nfs/dbraw/zinc/46/94/63/819469463.db2.gz SOTZAGLSXKRYHV-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC001236467798 819488512 /nfs/dbraw/zinc/48/85/12/819488512.db2.gz JQAHXAGNGPCRJM-MRXNPFEDSA-N 2 2 285.435 3.141 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC001236467798 819488515 /nfs/dbraw/zinc/48/85/15/819488515.db2.gz JQAHXAGNGPCRJM-MRXNPFEDSA-N 2 2 285.435 3.141 20 0 CGADLP CC(C)C[N@H+](Cc1cc2ccccc2cn1)[C@@H]1CCC[NH2+]C1 ZINC001236477692 819494885 /nfs/dbraw/zinc/49/48/85/819494885.db2.gz KJCFNNVOVPHSHV-LJQANCHMSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)C[N@@H+](Cc1cc2ccccc2cn1)[C@@H]1CCC[NH2+]C1 ZINC001236477692 819494887 /nfs/dbraw/zinc/49/48/87/819494887.db2.gz KJCFNNVOVPHSHV-LJQANCHMSA-N 2 2 297.446 3.445 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477758 819494936 /nfs/dbraw/zinc/49/49/36/819494936.db2.gz LQMZZTPUQMNYIS-QGZVFWFLSA-N 2 2 278.415 3.344 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477758 819494940 /nfs/dbraw/zinc/49/49/40/819494940.db2.gz LQMZZTPUQMNYIS-QGZVFWFLSA-N 2 2 278.415 3.344 20 0 CGADLP CC(C)C[N@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477929 819495265 /nfs/dbraw/zinc/49/52/65/819495265.db2.gz VBCQTWSRCSHRDF-OAHLLOKOSA-N 2 2 296.842 3.256 20 0 CGADLP CC(C)C[N@@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477929 819495269 /nfs/dbraw/zinc/49/52/69/819495269.db2.gz VBCQTWSRCSHRDF-OAHLLOKOSA-N 2 2 296.842 3.256 20 0 CGADLP CCC[C@@H](C)C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478128 819495501 /nfs/dbraw/zinc/49/55/01/819495501.db2.gz BYVZQGZLQKJZQM-WBVHZDCISA-N 2 2 275.440 3.072 20 0 CGADLP CCC[C@@H](C)C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478128 819495504 /nfs/dbraw/zinc/49/55/04/819495504.db2.gz BYVZQGZLQKJZQM-WBVHZDCISA-N 2 2 275.440 3.072 20 0 CGADLP [NH3+]CC[N@H+](CCCC1CCCC1)Cc1ccccc1 ZINC001236521561 819514252 /nfs/dbraw/zinc/51/42/52/819514252.db2.gz FBNOYRIEZCACBI-UHFFFAOYSA-N 2 2 260.425 3.418 20 0 CGADLP [NH3+]CC[N@@H+](CCCC1CCCC1)Cc1ccccc1 ZINC001236521561 819514255 /nfs/dbraw/zinc/51/42/55/819514255.db2.gz FBNOYRIEZCACBI-UHFFFAOYSA-N 2 2 260.425 3.418 20 0 CGADLP CC(C)[N@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC001236529373 819520247 /nfs/dbraw/zinc/52/02/47/819520247.db2.gz LMECNZNIIHNBIY-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[N@@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC001236529373 819520251 /nfs/dbraw/zinc/52/02/51/819520251.db2.gz LMECNZNIIHNBIY-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647782 819560034 /nfs/dbraw/zinc/56/00/34/819560034.db2.gz NDIQIVWJIRMUGT-DFGXFYAUSA-N 2 2 274.452 3.195 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647782 819560038 /nfs/dbraw/zinc/56/00/38/819560038.db2.gz NDIQIVWJIRMUGT-DFGXFYAUSA-N 2 2 274.452 3.195 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C)n1 ZINC001236649779 819561292 /nfs/dbraw/zinc/56/12/92/819561292.db2.gz DDNVOBVOAOMCLS-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C)n1 ZINC001236649779 819561294 /nfs/dbraw/zinc/56/12/94/819561294.db2.gz DDNVOBVOAOMCLS-UHFFFAOYSA-N 2 2 283.847 3.207 20 0 CGADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236739066 819587881 /nfs/dbraw/zinc/58/78/81/819587881.db2.gz KWFLXPOUOGJTGB-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236739066 819587884 /nfs/dbraw/zinc/58/78/84/819587884.db2.gz KWFLXPOUOGJTGB-UHFFFAOYSA-N 2 2 284.403 3.491 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001236899592 819635160 /nfs/dbraw/zinc/63/51/60/819635160.db2.gz MHLYWJHOKXHNPP-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001236899592 819635164 /nfs/dbraw/zinc/63/51/64/819635164.db2.gz MHLYWJHOKXHNPP-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP CSCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918713 819636931 /nfs/dbraw/zinc/63/69/31/819636931.db2.gz LDRZEYQKDYOZBY-UHFFFAOYSA-N 2 2 295.839 3.321 20 0 CGADLP CSCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236918713 819636936 /nfs/dbraw/zinc/63/69/36/819636936.db2.gz LDRZEYQKDYOZBY-UHFFFAOYSA-N 2 2 295.839 3.321 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237404704 819744570 /nfs/dbraw/zinc/74/45/70/819744570.db2.gz OWUNVBXQBSGMFH-WCQYABFASA-N 2 2 282.478 3.044 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237404704 819744572 /nfs/dbraw/zinc/74/45/72/819744572.db2.gz OWUNVBXQBSGMFH-WCQYABFASA-N 2 2 282.478 3.044 20 0 CGADLP C[C@@]1(F)CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104446 819934543 /nfs/dbraw/zinc/93/45/43/819934543.db2.gz VMHNDNSQOOBQHE-OAHLLOKOSA-N 2 2 261.344 3.048 20 0 CGADLP C[C@@]1(F)CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104446 819934550 /nfs/dbraw/zinc/93/45/50/819934550.db2.gz VMHNDNSQOOBQHE-OAHLLOKOSA-N 2 2 261.344 3.048 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3Cl)C[C@H]2C1 ZINC001238567945 820046890 /nfs/dbraw/zinc/04/68/90/820046890.db2.gz WFPGSMAWQWJOSF-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP CSc1cc(C)cc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001238674481 820078762 /nfs/dbraw/zinc/07/87/62/820078762.db2.gz GPZMSIFROFKCTD-UHFFFAOYSA-N 2 2 278.465 3.243 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(C3CC3)nc2)C1 ZINC001238856303 820137650 /nfs/dbraw/zinc/13/76/50/820137650.db2.gz NQQQKFCJQYIUAL-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C3CC3)nc2)C1 ZINC001238856303 820137654 /nfs/dbraw/zinc/13/76/54/820137654.db2.gz NQQQKFCJQYIUAL-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP Cc1cccc(C)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001239598469 820445360 /nfs/dbraw/zinc/44/53/60/820445360.db2.gz YEWLZHSOBMGYKZ-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1cc2[nH]ccc2c[nH+]1 ZINC001239679516 820514377 /nfs/dbraw/zinc/51/43/77/820514377.db2.gz DQMONUGAZCPHGC-UHFFFAOYSA-N 2 2 251.333 3.292 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc3[nH]ccc3c2)C1 ZINC001239695941 820527038 /nfs/dbraw/zinc/52/70/38/820527038.db2.gz IZKDUIHKKWFIDY-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc3[nH]ccc3c2)C1 ZINC001239695941 820527043 /nfs/dbraw/zinc/52/70/43/820527043.db2.gz IZKDUIHKKWFIDY-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP CNc1cc(-c2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC001240060323 820808951 /nfs/dbraw/zinc/80/89/51/820808951.db2.gz GSLOEOPVCQUSEL-UHFFFAOYSA-N 2 2 267.376 3.386 20 0 CGADLP Nc1cc(-c2cccc(C[NH+]3CCCCC3)c2)cc[nH+]1 ZINC001240169329 820867695 /nfs/dbraw/zinc/86/76/95/820867695.db2.gz NWYYNJNBSHOEAW-UHFFFAOYSA-N 2 2 267.376 3.317 20 0 CGADLP C[N@@H+]1CCc2c(F)cc(-c3ccc4[nH+]ccn4c3)cc2C1 ZINC001240220647 820897738 /nfs/dbraw/zinc/89/77/38/820897738.db2.gz JXRKPTQYVRWROZ-UHFFFAOYSA-N 2 2 281.334 3.128 20 0 CGADLP C[N@H+]1CCc2c(F)cc(-c3ccc4[nH+]ccn4c3)cc2C1 ZINC001240220647 820897748 /nfs/dbraw/zinc/89/77/48/820897748.db2.gz JXRKPTQYVRWROZ-UHFFFAOYSA-N 2 2 281.334 3.128 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1 ZINC001240370586 820998998 /nfs/dbraw/zinc/99/89/98/820998998.db2.gz SWLFMNCBHPNFGQ-UHFFFAOYSA-N 2 2 294.402 3.472 20 0 CGADLP Cc1sccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240500280 821096538 /nfs/dbraw/zinc/09/65/38/821096538.db2.gz SLSSDOLILKVUFW-UHFFFAOYSA-N 2 2 269.373 3.058 20 0 CGADLP CC(C)([NH3+])c1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240513125 821108043 /nfs/dbraw/zinc/10/80/43/821108043.db2.gz HYTDNJNXQKVLMA-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP COc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C ZINC001241036581 821512098 /nfs/dbraw/zinc/51/20/98/821512098.db2.gz AVUQGQMCHRDOQS-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C ZINC001241036581 821512100 /nfs/dbraw/zinc/51/21/00/821512100.db2.gz AVUQGQMCHRDOQS-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP CCc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241549636 821939678 /nfs/dbraw/zinc/93/96/78/821939678.db2.gz OMDILQQTZMAPFX-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241549636 821939681 /nfs/dbraw/zinc/93/96/81/821939681.db2.gz OMDILQQTZMAPFX-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP C[N@@H+]1CCC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)C1 ZINC001241572198 821958778 /nfs/dbraw/zinc/95/87/78/821958778.db2.gz STPPJDVAEFNRSK-UHFFFAOYSA-N 2 2 292.373 3.280 20 0 CGADLP C[N@H+]1CCC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)C1 ZINC001241572198 821958784 /nfs/dbraw/zinc/95/87/84/821958784.db2.gz STPPJDVAEFNRSK-UHFFFAOYSA-N 2 2 292.373 3.280 20 0 CGADLP Clc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242144743 822892886 /nfs/dbraw/zinc/89/28/86/822892886.db2.gz IDTFCOGIVPAJJJ-UHFFFAOYSA-N 2 2 283.762 3.342 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001242238264 822922032 /nfs/dbraw/zinc/92/20/32/822922032.db2.gz JDRAICFLYISWLS-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1F ZINC001242238264 822922034 /nfs/dbraw/zinc/92/20/34/822922034.db2.gz JDRAICFLYISWLS-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc4cc[nH]c43)cc2)C1 ZINC001242361809 822967152 /nfs/dbraw/zinc/96/71/52/822967152.db2.gz RHIUDFIKNUSIRA-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc4cc[nH]c43)cc2)C1 ZINC001242361809 822967154 /nfs/dbraw/zinc/96/71/54/822967154.db2.gz RHIUDFIKNUSIRA-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC001345097263 936801547 /nfs/dbraw/zinc/80/15/47/936801547.db2.gz ITZQQAXCCGMKNQ-JKSUJKDBSA-N 2 2 283.419 3.133 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC001353583378 937070307 /nfs/dbraw/zinc/07/03/07/937070307.db2.gz FYDVKXWVITYGGF-GDBMZVCRSA-N 2 2 290.451 3.130 20 0 CGADLP C[NH+](C)CC[C@@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC000149711106 926719887 /nfs/dbraw/zinc/71/98/87/926719887.db2.gz KMELVNHOBGQFJH-MRXNPFEDSA-N 2 2 256.349 3.153 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)[nH]c2c1 ZINC001462636951 928795908 /nfs/dbraw/zinc/79/59/08/928795908.db2.gz HORGBDYOYKOYDM-UHFFFAOYSA-N 2 2 287.451 3.496 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)[nH]c2c1 ZINC001462636951 928795913 /nfs/dbraw/zinc/79/59/13/928795913.db2.gz HORGBDYOYKOYDM-UHFFFAOYSA-N 2 2 287.451 3.496 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)[NH+](C)C)cc1C ZINC001308254246 928870394 /nfs/dbraw/zinc/87/03/94/928870394.db2.gz QFXFIKGPZXUQOM-WAVCKPEOSA-N 2 2 260.425 3.165 20 0 CGADLP Oc1ccc(C[C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC001460939612 937554507 /nfs/dbraw/zinc/55/45/07/937554507.db2.gz VKALERFYARCXBS-QGZVFWFLSA-N 2 2 299.418 3.076 20 0 CGADLP Oc1ccc(C[C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC001460939612 937554510 /nfs/dbraw/zinc/55/45/10/937554510.db2.gz VKALERFYARCXBS-QGZVFWFLSA-N 2 2 299.418 3.076 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)OCC[C@H]1C ZINC001460967041 937556085 /nfs/dbraw/zinc/55/60/85/937556085.db2.gz ZIGKQTNREYKYPS-HZPDHXFCSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001460967041 937556088 /nfs/dbraw/zinc/55/60/88/937556088.db2.gz ZIGKQTNREYKYPS-HZPDHXFCSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001461122396 937565500 /nfs/dbraw/zinc/56/55/00/937565500.db2.gz ZBUOCDNKBIKXCV-AEFFLSMTSA-N 2 2 299.418 3.167 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@H]3Cc4ccccc43)c2)c[nH+]1 ZINC001461171987 937567383 /nfs/dbraw/zinc/56/73/83/937567383.db2.gz HCZUGGDZNNTYLU-CQSZACIVSA-N 2 2 295.411 3.363 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001461626048 937589292 /nfs/dbraw/zinc/58/92/92/937589292.db2.gz DPLFSQQVKFSXTF-HRCADAONSA-N 2 2 284.513 3.371 20 0 CGADLP C[NH+](C)[C@H]1CC[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001231082136 932675018 /nfs/dbraw/zinc/67/50/18/932675018.db2.gz RVRJABGTLPUOOJ-KOMQPUFPSA-N 2 2 285.391 3.328 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001462648231 937656536 /nfs/dbraw/zinc/65/65/36/937656536.db2.gz QRUYCOOZNYYBOE-FGTMMUONSA-N 2 2 274.452 3.356 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001308288386 933088409 /nfs/dbraw/zinc/08/84/09/933088409.db2.gz VXAXZZGXSLLLSA-DLBZAZTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001308288386 933088413 /nfs/dbraw/zinc/08/84/13/933088413.db2.gz VXAXZZGXSLLLSA-DLBZAZTESA-N 2 2 274.452 3.187 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001308475912 933116108 /nfs/dbraw/zinc/11/61/08/933116108.db2.gz XOZFLKQMHIRBAQ-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001308475912 933116111 /nfs/dbraw/zinc/11/61/11/933116111.db2.gz XOZFLKQMHIRBAQ-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP C=C/C=C\CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308505143 933121842 /nfs/dbraw/zinc/12/18/42/933121842.db2.gz BHIGLHKXKBWPEE-ARJAWSKDSA-N 2 2 259.378 3.156 20 0 CGADLP CC[C@@](C)(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)OC ZINC001308716964 933164979 /nfs/dbraw/zinc/16/49/79/933164979.db2.gz WQQLDLGNOGZSJA-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP Fc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001320051410 933987755 /nfs/dbraw/zinc/98/77/55/933987755.db2.gz IWOBRLCWEKQFTD-MLGOLLRUSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1cccc2c1CC[C@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001320051410 933987760 /nfs/dbraw/zinc/98/77/60/933987760.db2.gz IWOBRLCWEKQFTD-MLGOLLRUSA-N 2 2 285.366 3.416 20 0 CGADLP CCOc1ccc2c(c1)C[N@@H+](CCC[NH+](CC)CC)CC2 ZINC001324453734 934505970 /nfs/dbraw/zinc/50/59/70/934505970.db2.gz XGAIRPJVVAGDJX-UHFFFAOYSA-N 2 2 290.451 3.175 20 0 CGADLP CCOc1ccc2c(c1)C[N@H+](CCC[NH+](CC)CC)CC2 ZINC001324453734 934505975 /nfs/dbraw/zinc/50/59/75/934505975.db2.gz XGAIRPJVVAGDJX-UHFFFAOYSA-N 2 2 290.451 3.175 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC001324929561 934873509 /nfs/dbraw/zinc/87/35/09/934873509.db2.gz VTGHRWOVEYKSLQ-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2F)C1 ZINC001324929561 934873514 /nfs/dbraw/zinc/87/35/14/934873514.db2.gz VTGHRWOVEYKSLQ-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccccc1Br ZINC001326035503 934945927 /nfs/dbraw/zinc/94/59/27/934945927.db2.gz KCSOZJVZBMJEDM-GHMZBOCLSA-N 2 2 285.229 3.098 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001473689354 937817610 /nfs/dbraw/zinc/81/76/10/937817610.db2.gz GFLODCRTAMHZKB-KBRIMQKVSA-N 2 2 276.399 3.160 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001327417174 935058290 /nfs/dbraw/zinc/05/82/90/935058290.db2.gz ZKZBDUIWXBPMCM-VIFPVBQESA-N 2 2 291.222 3.090 20 0 CGADLP CCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328322450 935129635 /nfs/dbraw/zinc/12/96/35/935129635.db2.gz MZGDNPHDKXOCGK-UHFFFAOYSA-N 2 2 272.352 3.095 20 0 CGADLP C[C@@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001332835239 935491277 /nfs/dbraw/zinc/49/12/77/935491277.db2.gz HYVOXBYUAJPVDB-AWEZNQCLSA-N 2 2 261.413 3.174 20 0 CGADLP CCS[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001334797471 936115667 /nfs/dbraw/zinc/11/56/67/936115667.db2.gz DOHHLEIHRPTUOI-OCCSQVGLSA-N 2 2 267.442 3.180 20 0 CGADLP CCOc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC001336722741 936210312 /nfs/dbraw/zinc/21/03/12/936210312.db2.gz UBMYLMCHQSTWBJ-CQSZACIVSA-N 2 2 282.428 3.134 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)ccc2NC)CC1 ZINC001474333313 937851700 /nfs/dbraw/zinc/85/17/00/937851700.db2.gz ZARKLWCMYIABBD-UHFFFAOYSA-N 2 2 289.467 3.343 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001474626928 937871331 /nfs/dbraw/zinc/87/13/31/937871331.db2.gz WDUYJVKXEOENHZ-BHYGNILZSA-N 2 2 264.457 3.275 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001548851859 938152593 /nfs/dbraw/zinc/15/25/93/938152593.db2.gz OKOJSHNJYXZKHL-QGZVFWFLSA-N 2 2 297.402 3.002 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1 ZINC001548851859 938152594 /nfs/dbraw/zinc/15/25/94/938152594.db2.gz OKOJSHNJYXZKHL-QGZVFWFLSA-N 2 2 297.402 3.002 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC001550514915 938167077 /nfs/dbraw/zinc/16/70/77/938167077.db2.gz ANVPCNYQWXSRHC-UONOGXRCSA-N 2 2 284.394 3.171 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1 ZINC001550514915 938167078 /nfs/dbraw/zinc/16/70/78/938167078.db2.gz ANVPCNYQWXSRHC-UONOGXRCSA-N 2 2 284.394 3.171 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)F)C1 ZINC001551377110 938180380 /nfs/dbraw/zinc/18/03/80/938180380.db2.gz CYLQSDNXEOFUCY-MYZSUADSSA-N 2 2 280.362 3.025 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)c1 ZINC001551377682 938180437 /nfs/dbraw/zinc/18/04/37/938180437.db2.gz IRVLQYHHOKTLPB-BKTGTZMESA-N 2 2 296.414 3.279 20 0 CGADLP Cc1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)s1 ZINC001551403562 938181941 /nfs/dbraw/zinc/18/19/41/938181941.db2.gz SHDPAOQIMRAZAA-HOTGVXAUSA-N 2 2 272.417 3.079 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC001560089586 938243581 /nfs/dbraw/zinc/24/35/81/938243581.db2.gz PDGKMOFHBODSHN-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1c(Cl)ccc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC001560089586 938243582 /nfs/dbraw/zinc/24/35/82/938243582.db2.gz PDGKMOFHBODSHN-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233105 938248121 /nfs/dbraw/zinc/24/81/21/938248121.db2.gz RKLGLBOWBCGKKU-ZDUSSCGKSA-N 2 2 287.382 3.500 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC001560615977 938265796 /nfs/dbraw/zinc/26/57/96/938265796.db2.gz IZARWWMNONLAGP-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC001560615977 938265797 /nfs/dbraw/zinc/26/57/97/938265797.db2.gz IZARWWMNONLAGP-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC001561036163 938290927 /nfs/dbraw/zinc/29/09/27/938290927.db2.gz SYXLZGGOPFUDFQ-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC001561036163 938290928 /nfs/dbraw/zinc/29/09/28/938290928.db2.gz SYXLZGGOPFUDFQ-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H]1C ZINC001576680568 962485841 /nfs/dbraw/zinc/48/58/41/962485841.db2.gz PMCWOHMJTFMBHH-GYRMQKGHSA-N 2 2 258.409 3.025 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001578194326 962575069 /nfs/dbraw/zinc/57/50/69/962575069.db2.gz MPHIAIVJJUUIGS-CHWSQXEVSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001578194326 962575073 /nfs/dbraw/zinc/57/50/73/962575073.db2.gz MPHIAIVJJUUIGS-CHWSQXEVSA-N 2 2 296.842 3.155 20 0 CGADLP Cc1c2cccc(Cl)c2sc1C[NH2+][C@H]1CC[NH2+]C1 ZINC001579534463 962628084 /nfs/dbraw/zinc/62/80/84/962628084.db2.gz JQZQEWDALYIQQV-JTQLQIEISA-N 2 2 280.824 3.315 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001579604706 962642266 /nfs/dbraw/zinc/64/22/66/962642266.db2.gz XYNMOHIZJSRRRX-IAGOWNOFSA-N 2 2 286.806 3.363 20 0 CGADLP FC(F)(F)C1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccccc2)CC1 ZINC001580018212 962690346 /nfs/dbraw/zinc/69/03/46/962690346.db2.gz DGLXICKPTJJBGK-UONOGXRCSA-N 2 2 298.352 3.064 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)c[nH+]1 ZINC000337391318 214047740 /nfs/dbraw/zinc/04/77/40/214047740.db2.gz HLEGGSQVOWANFD-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000337406780 214060863 /nfs/dbraw/zinc/06/08/63/214060863.db2.gz SXJUXRMFMIFSOI-ZDUSSCGKSA-N 2 2 252.402 3.279 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000621379412 349513702 /nfs/dbraw/zinc/51/37/02/349513702.db2.gz UQBBOQWOPJUTLZ-CYBMUJFWSA-N 2 2 277.318 3.007 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2OC(F)F)c[nH+]1 ZINC000337559109 214156675 /nfs/dbraw/zinc/15/66/75/214156675.db2.gz ZDHGZIZULZLQQH-LSDHHAIUSA-N 2 2 298.377 3.463 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000125129244 187171218 /nfs/dbraw/zinc/17/12/18/187171218.db2.gz PZVLVAQCKSOYMA-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781596 349584899 /nfs/dbraw/zinc/58/48/99/349584899.db2.gz GTDNNEAHROKQMZ-HFBAOOFYSA-N 2 2 280.362 3.229 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781596 349584901 /nfs/dbraw/zinc/58/49/01/349584901.db2.gz GTDNNEAHROKQMZ-HFBAOOFYSA-N 2 2 280.362 3.229 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781599 349585106 /nfs/dbraw/zinc/58/51/06/349585106.db2.gz GTDNNEAHROKQMZ-XZJROXQQSA-N 2 2 280.362 3.229 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781599 349585112 /nfs/dbraw/zinc/58/51/12/349585112.db2.gz GTDNNEAHROKQMZ-XZJROXQQSA-N 2 2 280.362 3.229 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651708630 398272370 /nfs/dbraw/zinc/27/23/70/398272370.db2.gz XFWWHHDOFIHSES-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651708630 398272372 /nfs/dbraw/zinc/27/23/72/398272372.db2.gz XFWWHHDOFIHSES-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651715831 398274058 /nfs/dbraw/zinc/27/40/58/398274058.db2.gz AHSBRHSXFFZKLB-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000096981602 185145645 /nfs/dbraw/zinc/14/56/45/185145645.db2.gz ADVPTXCXXJVOOF-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000096981602 185145646 /nfs/dbraw/zinc/14/56/46/185145646.db2.gz ADVPTXCXXJVOOF-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000096981602 185145647 /nfs/dbraw/zinc/14/56/47/185145647.db2.gz ADVPTXCXXJVOOF-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000096981602 185145648 /nfs/dbraw/zinc/14/56/48/185145648.db2.gz ADVPTXCXXJVOOF-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000337998158 214353748 /nfs/dbraw/zinc/35/37/48/214353748.db2.gz MNWARCZZHNFDFV-QZTJIDSGSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000337998158 214353750 /nfs/dbraw/zinc/35/37/50/214353750.db2.gz MNWARCZZHNFDFV-QZTJIDSGSA-N 2 2 272.436 3.287 20 0 CGADLP CCCC1CCC([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000518272908 534927595 /nfs/dbraw/zinc/92/75/95/534927595.db2.gz RFPWAOXPWDFKEY-VYMRPNJYSA-N 2 2 296.499 3.434 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365634135 529579843 /nfs/dbraw/zinc/57/98/43/529579843.db2.gz WYKACYAYUWSPKX-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365634135 529579847 /nfs/dbraw/zinc/57/98/47/529579847.db2.gz WYKACYAYUWSPKX-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000358025989 529584921 /nfs/dbraw/zinc/58/49/21/529584921.db2.gz SURGTDVJDNBBIE-KRWDZBQOSA-N 2 2 275.440 3.070 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(F)c1 ZINC000166412015 529620283 /nfs/dbraw/zinc/62/02/83/529620283.db2.gz WKAIRWKJEHCPHP-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(F)c1 ZINC000166412015 529620284 /nfs/dbraw/zinc/62/02/84/529620284.db2.gz WKAIRWKJEHCPHP-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354823374 282208563 /nfs/dbraw/zinc/20/85/63/282208563.db2.gz AOGVEPBTEMQAHL-OLZOCXBDSA-N 2 2 287.382 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354823374 282208564 /nfs/dbraw/zinc/20/85/64/282208564.db2.gz AOGVEPBTEMQAHL-OLZOCXBDSA-N 2 2 287.382 3.338 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cnccc1C ZINC000423515356 529612205 /nfs/dbraw/zinc/61/22/05/529612205.db2.gz XKZGITPDADQTSQ-KDOFPFPSSA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423241227 529612937 /nfs/dbraw/zinc/61/29/37/529612937.db2.gz UUHWRRHZHBZZKE-KBPBESRZSA-N 2 2 297.240 3.242 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423514303 529616679 /nfs/dbraw/zinc/61/66/79/529616679.db2.gz WFHAMCXPQRIXHF-MSOLQXFVSA-N 2 2 272.436 3.417 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423497423 529616865 /nfs/dbraw/zinc/61/68/65/529616865.db2.gz GYFGSHBVCIXEAP-KZNAEPCWSA-N 2 2 272.436 3.417 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623353425 349786434 /nfs/dbraw/zinc/78/64/34/349786434.db2.gz LBJQSFJBNWHRRJ-IRXDYDNUSA-N 3 2 297.531 3.205 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353425 349786440 /nfs/dbraw/zinc/78/64/40/349786440.db2.gz LBJQSFJBNWHRRJ-IRXDYDNUSA-N 3 2 297.531 3.205 20 0 CGADLP CC[C@H](C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043488 529659058 /nfs/dbraw/zinc/65/90/58/529659058.db2.gz DWTFKXUSXBCYOP-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)s1 ZINC000423358263 529673721 /nfs/dbraw/zinc/67/37/21/529673721.db2.gz JCUAMVJCVXTVQK-VWYCJHECSA-N 2 2 272.845 3.440 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426574 349805479 /nfs/dbraw/zinc/80/54/79/349805479.db2.gz RHKFREACPRELFT-NEPJUHHUSA-N 2 2 267.442 3.057 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nccs1 ZINC000623426574 349805481 /nfs/dbraw/zinc/80/54/81/349805481.db2.gz RHKFREACPRELFT-NEPJUHHUSA-N 2 2 267.442 3.057 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623451659 349813214 /nfs/dbraw/zinc/81/32/14/349813214.db2.gz FIDQBKNFPYEPDU-GFCCVEGCSA-N 2 2 281.469 3.229 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623451659 349813216 /nfs/dbraw/zinc/81/32/16/349813216.db2.gz FIDQBKNFPYEPDU-GFCCVEGCSA-N 2 2 281.469 3.229 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)o1 ZINC000423252955 529721403 /nfs/dbraw/zinc/72/14/03/529721403.db2.gz YILPBAWUYXNUGR-SWLSCSKDSA-N 2 2 258.365 3.193 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856706 187266888 /nfs/dbraw/zinc/26/68/88/187266888.db2.gz WKSWRKUEAJPCDG-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856706 187266890 /nfs/dbraw/zinc/26/68/90/187266890.db2.gz WKSWRKUEAJPCDG-MWLCHTKSSA-N 2 2 273.207 3.163 20 0 CGADLP C[NH+](C)CC1CCC(Nc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000128158101 187354598 /nfs/dbraw/zinc/35/45/98/187354598.db2.gz LLIXSEXJNVPEFJ-UHFFFAOYSA-N 2 2 290.455 3.306 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000623860706 349898388 /nfs/dbraw/zinc/89/83/88/349898388.db2.gz BYMXQNKBHPXMAU-WBVHZDCISA-N 2 2 271.408 3.273 20 0 CGADLP CCN(C)c1ccc(CNc2[nH+]ccn2CC(C)C)c[nH+]1 ZINC000351567028 219129066 /nfs/dbraw/zinc/12/90/66/219129066.db2.gz IIXUIMLAWNSLIF-UHFFFAOYSA-N 2 2 287.411 3.002 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000128212945 187357279 /nfs/dbraw/zinc/35/72/79/187357279.db2.gz CUBIYAGDQQFMLH-CYBMUJFWSA-N 2 2 272.367 3.465 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162225780 530057831 /nfs/dbraw/zinc/05/78/31/530057831.db2.gz ZYYCWRIOTCODAD-CYBMUJFWSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162225780 530057832 /nfs/dbraw/zinc/05/78/32/530057832.db2.gz ZYYCWRIOTCODAD-CYBMUJFWSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767752 344965721 /nfs/dbraw/zinc/96/57/21/344965721.db2.gz JPMMZGZDYZBZOS-HNNXBMFYSA-N 2 2 264.413 3.066 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599215 232219744 /nfs/dbraw/zinc/21/97/44/232219744.db2.gz WGEFWGKUZJLNIQ-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000154599215 232219749 /nfs/dbraw/zinc/21/97/49/232219749.db2.gz WGEFWGKUZJLNIQ-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959165 345692080 /nfs/dbraw/zinc/69/20/80/345692080.db2.gz JFFZNVDOALMIFE-JSGCOSHPSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959165 345692083 /nfs/dbraw/zinc/69/20/83/345692083.db2.gz JFFZNVDOALMIFE-JSGCOSHPSA-N 2 2 273.355 3.489 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCSc3ccccc3)C2)[nH]1 ZINC000080961367 345692346 /nfs/dbraw/zinc/69/23/46/345692346.db2.gz KWUDGMQCNYYGCS-AWEZNQCLSA-N 2 2 287.432 3.381 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCSc3ccccc3)C2)[nH]1 ZINC000080961367 345692348 /nfs/dbraw/zinc/69/23/48/345692348.db2.gz KWUDGMQCNYYGCS-AWEZNQCLSA-N 2 2 287.432 3.381 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000088687288 345763502 /nfs/dbraw/zinc/76/35/02/345763502.db2.gz YLWTXFBFMVJCRB-KSSFIOAISA-N 2 2 284.403 3.198 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000088687288 345763503 /nfs/dbraw/zinc/76/35/03/345763503.db2.gz YLWTXFBFMVJCRB-KSSFIOAISA-N 2 2 284.403 3.198 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000090847477 345796228 /nfs/dbraw/zinc/79/62/28/345796228.db2.gz UFCKBWZTPFAASO-ZDUSSCGKSA-N 2 2 258.340 3.422 20 0 CGADLP Cc1csc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)n1 ZINC000162470673 232254263 /nfs/dbraw/zinc/25/42/63/232254263.db2.gz HFADSYSTFWDZEB-OAHLLOKOSA-N 2 2 293.480 3.368 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000092739432 345854874 /nfs/dbraw/zinc/85/48/74/345854874.db2.gz FFYKMNNAEKSIME-ZNMIVQPWSA-N 2 2 293.430 3.239 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000092739432 345854876 /nfs/dbraw/zinc/85/48/76/345854876.db2.gz FFYKMNNAEKSIME-ZNMIVQPWSA-N 2 2 293.430 3.239 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000093866284 345890574 /nfs/dbraw/zinc/89/05/74/345890574.db2.gz JQAMHKWVXGUFMO-INIZCTEOSA-N 2 2 293.370 3.216 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000093866284 345890578 /nfs/dbraw/zinc/89/05/78/345890578.db2.gz JQAMHKWVXGUFMO-INIZCTEOSA-N 2 2 293.370 3.216 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000093209988 345872942 /nfs/dbraw/zinc/87/29/42/345872942.db2.gz UCJYPOVQKLNYKR-SJORKVTESA-N 3 2 293.499 3.035 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683335 345884044 /nfs/dbraw/zinc/88/40/44/345884044.db2.gz SEYNNQXTUOKMHQ-ZDUSSCGKSA-N 2 2 282.815 3.241 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683335 345884045 /nfs/dbraw/zinc/88/40/45/345884045.db2.gz SEYNNQXTUOKMHQ-ZDUSSCGKSA-N 2 2 282.815 3.241 20 0 CGADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000117276969 345982872 /nfs/dbraw/zinc/98/28/72/345982872.db2.gz RMBYFCPUBQFBOI-CYBMUJFWSA-N 2 2 273.207 3.479 20 0 CGADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000117276969 345982875 /nfs/dbraw/zinc/98/28/75/345982875.db2.gz RMBYFCPUBQFBOI-CYBMUJFWSA-N 2 2 273.207 3.479 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436818 346064880 /nfs/dbraw/zinc/06/48/80/346064880.db2.gz CTNUUTHAGLQDAY-ZANVPECISA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436818 346064883 /nfs/dbraw/zinc/06/48/83/346064883.db2.gz CTNUUTHAGLQDAY-ZANVPECISA-N 2 2 273.207 3.305 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000339180624 215000584 /nfs/dbraw/zinc/00/05/84/215000584.db2.gz AKGJZOFJEVDCEB-GFCCVEGCSA-N 2 2 263.772 3.023 20 0 CGADLP C[N@H+](CCCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179694518 346253766 /nfs/dbraw/zinc/25/37/66/346253766.db2.gz PJTHCQGPPDMZLL-UHFFFAOYSA-N 2 2 279.387 3.399 20 0 CGADLP C[N@@H+](CCCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179694518 346253769 /nfs/dbraw/zinc/25/37/69/346253769.db2.gz PJTHCQGPPDMZLL-UHFFFAOYSA-N 2 2 279.387 3.399 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(F)c1F ZINC000224977314 346302374 /nfs/dbraw/zinc/30/23/74/346302374.db2.gz RQLIZYPDUBLTRP-GFCCVEGCSA-N 2 2 279.334 3.292 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000227956117 346312900 /nfs/dbraw/zinc/31/29/00/346312900.db2.gz MCKPYUJWCBDBSF-VXGBXAGGSA-N 2 2 264.438 3.025 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000227956117 346312904 /nfs/dbraw/zinc/31/29/04/346312904.db2.gz MCKPYUJWCBDBSF-VXGBXAGGSA-N 2 2 264.438 3.025 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(Br)c1 ZINC000228283206 346313952 /nfs/dbraw/zinc/31/39/52/346313952.db2.gz XTQSHFUXVJCRHS-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(Br)c1 ZINC000228283206 346313954 /nfs/dbraw/zinc/31/39/54/346313954.db2.gz XTQSHFUXVJCRHS-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Br ZINC000229060208 346316272 /nfs/dbraw/zinc/31/62/72/346316272.db2.gz YVYPTYBBZWVUFB-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Br ZINC000229060208 346316273 /nfs/dbraw/zinc/31/62/73/346316273.db2.gz YVYPTYBBZWVUFB-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000339210512 215016970 /nfs/dbraw/zinc/01/69/70/215016970.db2.gz RMJFAONUCAHVLL-CYBMUJFWSA-N 2 2 277.799 3.271 20 0 CGADLP CC(C)(C)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000236616792 346341236 /nfs/dbraw/zinc/34/12/36/346341236.db2.gz XRVXOLKPUFLWDE-UHFFFAOYSA-N 2 2 284.513 3.374 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000258706228 346401422 /nfs/dbraw/zinc/40/14/22/346401422.db2.gz YIHHSJVTTVECJE-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000258706228 346401426 /nfs/dbraw/zinc/40/14/26/346401426.db2.gz YIHHSJVTTVECJE-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000624077938 349965505 /nfs/dbraw/zinc/96/55/05/349965505.db2.gz IAHHKLKFKMJVLG-NXYGQSRBSA-N 2 2 294.483 3.331 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000624077938 349965509 /nfs/dbraw/zinc/96/55/09/349965509.db2.gz IAHHKLKFKMJVLG-NXYGQSRBSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C3CC[NH+](C)CC3)oc2c1 ZINC000335859280 346496970 /nfs/dbraw/zinc/49/69/70/346496970.db2.gz IVFNDIBJAMGPKL-CYBMUJFWSA-N 2 2 272.392 3.486 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000381386084 346558408 /nfs/dbraw/zinc/55/84/08/346558408.db2.gz QPJACLCXQNOLKK-CYBMUJFWSA-N 2 2 263.410 3.384 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000577620901 346671442 /nfs/dbraw/zinc/67/14/42/346671442.db2.gz KIKMRYVIMYYOIA-ZIAGYGMSSA-N 2 2 287.432 3.170 20 0 CGADLP CC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000339254214 215042802 /nfs/dbraw/zinc/04/28/02/215042802.db2.gz NYPDNOADEDRKCM-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCCC4(CC4)C3)c2)c[nH+]1 ZINC000351927085 219250835 /nfs/dbraw/zinc/25/08/35/219250835.db2.gz BCUZKHGWINUGMX-UHFFFAOYSA-N 2 2 273.405 3.310 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCCC4(CC4)C3)c2)c[nH+]1 ZINC000351927085 219250837 /nfs/dbraw/zinc/25/08/37/219250837.db2.gz BCUZKHGWINUGMX-UHFFFAOYSA-N 2 2 273.405 3.310 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436419 215169307 /nfs/dbraw/zinc/16/93/07/215169307.db2.gz BOCFREYLBQNKMP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436419 215169309 /nfs/dbraw/zinc/16/93/09/215169309.db2.gz BOCFREYLBQNKMP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436419 215169312 /nfs/dbraw/zinc/16/93/12/215169312.db2.gz BOCFREYLBQNKMP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)C1 ZINC000339436419 215169314 /nfs/dbraw/zinc/16/93/14/215169314.db2.gz BOCFREYLBQNKMP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189044 349996203 /nfs/dbraw/zinc/99/62/03/349996203.db2.gz UYWKWFSQZMZPON-DZGCQCFKSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189044 349996204 /nfs/dbraw/zinc/99/62/04/349996204.db2.gz UYWKWFSQZMZPON-DZGCQCFKSA-N 2 2 278.465 3.286 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCO[C@H]2C)c(C)c1 ZINC000358347717 233112363 /nfs/dbraw/zinc/11/23/63/233112363.db2.gz FWXHPUCHCSVUKS-JQHSSLGASA-N 2 2 299.418 3.008 20 0 CGADLP Oc1ccc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000625215669 350141695 /nfs/dbraw/zinc/14/16/95/350141695.db2.gz GAZAPKUSPHZUND-UHFFFAOYSA-N 2 2 291.782 3.079 20 0 CGADLP FC(F)(F)C1CCC(C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625436611 350170471 /nfs/dbraw/zinc/17/04/71/350170471.db2.gz KVWBLCGISZXZHX-UHFFFAOYSA-N 2 2 287.329 3.137 20 0 CGADLP FC(F)(F)C1CCC(C[N@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625436611 350170474 /nfs/dbraw/zinc/17/04/74/350170474.db2.gz KVWBLCGISZXZHX-UHFFFAOYSA-N 2 2 287.329 3.137 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000359509806 233326109 /nfs/dbraw/zinc/32/61/09/233326109.db2.gz IGBSKGNGJLHYBM-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@@H+]1C ZINC000359680208 233356877 /nfs/dbraw/zinc/35/68/77/233356877.db2.gz ZAYQYNWEUZHNBD-KSSFIOAISA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@H+]1C ZINC000359680208 233356879 /nfs/dbraw/zinc/35/68/79/233356879.db2.gz ZAYQYNWEUZHNBD-KSSFIOAISA-N 2 2 288.435 3.048 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534129 350704973 /nfs/dbraw/zinc/70/49/73/350704973.db2.gz NDVVVBDGIMMKHH-BLLLJJGKSA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534129 350704977 /nfs/dbraw/zinc/70/49/77/350704977.db2.gz NDVVVBDGIMMKHH-BLLLJJGKSA-N 2 2 294.826 3.010 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@@H]3C)cc2c1 ZINC000629538899 350706507 /nfs/dbraw/zinc/70/65/07/350706507.db2.gz WLROPAZUIJZJRU-HBUWYVDXSA-N 2 2 283.419 3.019 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1csc(Cl)c1 ZINC000629542656 350707338 /nfs/dbraw/zinc/70/73/38/350707338.db2.gz IJOUAYGUAVMNFR-KKZNHRDASA-N 2 2 258.818 3.193 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)C[NH2+]1 ZINC000629541794 350707526 /nfs/dbraw/zinc/70/75/26/350707526.db2.gz WGSMDKFROASZRX-IOASZLSFSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2n1 ZINC000629541847 350707604 /nfs/dbraw/zinc/70/76/04/350707604.db2.gz XEVHEFNBTBKJJU-UMVBOHGHSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCC2)cc1 ZINC000629543921 350708663 /nfs/dbraw/zinc/70/86/63/350708663.db2.gz FTBVHPITUNTVRT-XKQJLSEDSA-N 2 2 258.409 3.176 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000629544895 350709585 /nfs/dbraw/zinc/70/95/85/350709585.db2.gz GWDBTFDESIFHSJ-OUJBWJOFSA-N 2 2 272.314 3.106 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548849 350710935 /nfs/dbraw/zinc/71/09/35/350710935.db2.gz RNFJGNPMDVXJFJ-SGMGOOAPSA-N 2 2 264.438 3.200 20 0 CGADLP CC[N@H+](CC[NH3+])CCCSc1ccccc1Cl ZINC000629557172 350712776 /nfs/dbraw/zinc/71/27/76/350712776.db2.gz WIKXIFIOMXPABW-UHFFFAOYSA-N 2 2 272.845 3.103 20 0 CGADLP CC[N@@H+](CC[NH3+])CCCSc1ccccc1Cl ZINC000629557172 350712779 /nfs/dbraw/zinc/71/27/79/350712779.db2.gz WIKXIFIOMXPABW-UHFFFAOYSA-N 2 2 272.845 3.103 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000629390233 350687304 /nfs/dbraw/zinc/68/73/04/350687304.db2.gz BHNFEYCWGLUHOB-ZWKOTPCHSA-N 2 2 284.403 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000629389811 350687468 /nfs/dbraw/zinc/68/74/68/350687468.db2.gz AIOQCZLFOPNHAE-LSDHHAIUSA-N 2 2 289.810 3.118 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000629390179 350687654 /nfs/dbraw/zinc/68/76/54/350687654.db2.gz MFAVSJOSRDVUKO-LSDHHAIUSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C[NH2+]1 ZINC000629396976 350688098 /nfs/dbraw/zinc/68/80/98/350688098.db2.gz RWHHKQBYUKTZNM-YPMHNXCESA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)C[NH2+]1 ZINC000629396390 350688224 /nfs/dbraw/zinc/68/82/24/350688224.db2.gz LMVXKESDHWRCJB-GDBMZVCRSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000629515015 350700020 /nfs/dbraw/zinc/70/00/20/350700020.db2.gz OXFWCERODOYXCO-DYVFJYSZSA-N 2 2 275.440 3.073 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000629515015 350700023 /nfs/dbraw/zinc/70/00/23/350700023.db2.gz OXFWCERODOYXCO-DYVFJYSZSA-N 2 2 275.440 3.073 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629521117 350700705 /nfs/dbraw/zinc/70/07/05/350700705.db2.gz PRMUHYUGEXPWES-HIFRSBDPSA-N 2 2 292.423 3.237 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000629525232 350701571 /nfs/dbraw/zinc/70/15/71/350701571.db2.gz YXCLELRYIOVBJY-DDTOSNHZSA-N 2 2 252.789 3.131 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000629709948 350748845 /nfs/dbraw/zinc/74/88/45/350748845.db2.gz NWSPDXMHVMAMDZ-UHFFFAOYSA-N 2 2 267.376 3.068 20 0 CGADLP Cc1scc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1C ZINC000631041216 350934850 /nfs/dbraw/zinc/93/48/50/350934850.db2.gz UIAWLRZCSPFPAI-UHFFFAOYSA-N 2 2 285.416 3.345 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000631259039 351009056 /nfs/dbraw/zinc/00/90/56/351009056.db2.gz HYFLXJUAPMSTKK-QGZVFWFLSA-N 2 2 290.476 3.055 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000631259039 351009058 /nfs/dbraw/zinc/00/90/58/351009058.db2.gz HYFLXJUAPMSTKK-QGZVFWFLSA-N 2 2 290.476 3.055 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823183 351148748 /nfs/dbraw/zinc/14/87/48/351148748.db2.gz YATXIYCTKUIBDS-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823183 351148754 /nfs/dbraw/zinc/14/87/54/351148754.db2.gz YATXIYCTKUIBDS-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000634682947 351568419 /nfs/dbraw/zinc/56/84/19/351568419.db2.gz FOERWLCTMGHXEO-XIRDDKMYSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634952580 351608714 /nfs/dbraw/zinc/60/87/14/351608714.db2.gz CZCLPNBEVAOMLH-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634952580 351608716 /nfs/dbraw/zinc/60/87/16/351608716.db2.gz CZCLPNBEVAOMLH-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000123573604 187099393 /nfs/dbraw/zinc/09/93/93/187099393.db2.gz HBHNOKSYDVCZLU-CYBMUJFWSA-N 2 2 258.365 3.054 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000123573604 187099394 /nfs/dbraw/zinc/09/93/94/187099394.db2.gz HBHNOKSYDVCZLU-CYBMUJFWSA-N 2 2 258.365 3.054 20 0 CGADLP CC(C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272198631 535168999 /nfs/dbraw/zinc/16/89/99/535168999.db2.gz IRILJZWNBYEBIQ-CQSZACIVSA-N 2 2 290.455 3.068 20 0 CGADLP CC(C)[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000292121743 198171656 /nfs/dbraw/zinc/17/16/56/198171656.db2.gz IAZLOOIDJPJXNB-OAHLLOKOSA-N 2 2 257.381 3.355 20 0 CGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000292121743 198171658 /nfs/dbraw/zinc/17/16/58/198171658.db2.gz IAZLOOIDJPJXNB-OAHLLOKOSA-N 2 2 257.381 3.355 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)c(F)c1 ZINC000367240298 234197848 /nfs/dbraw/zinc/19/78/48/234197848.db2.gz JIRKRJSLVRFRTM-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)c(F)c1 ZINC000367240298 234197850 /nfs/dbraw/zinc/19/78/50/234197850.db2.gz JIRKRJSLVRFRTM-INIZCTEOSA-N 2 2 291.345 3.389 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)oc1C ZINC000367436294 234214559 /nfs/dbraw/zinc/21/45/59/234214559.db2.gz FIFQQROTWCZOPO-LBPRGKRZSA-N 2 2 273.380 3.280 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221228 198207776 /nfs/dbraw/zinc/20/77/76/198207776.db2.gz VBJBFJSHBYOAFP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221228 198207777 /nfs/dbraw/zinc/20/77/77/198207777.db2.gz VBJBFJSHBYOAFP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221228 198207779 /nfs/dbraw/zinc/20/77/79/198207779.db2.gz VBJBFJSHBYOAFP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000292221228 198207781 /nfs/dbraw/zinc/20/77/81/198207781.db2.gz VBJBFJSHBYOAFP-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[C@@H]([NH2+]C1(CNCc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000152358328 188012656 /nfs/dbraw/zinc/01/26/56/188012656.db2.gz MSHBMKHLOKFBQZ-OAHLLOKOSA-N 2 2 298.434 3.163 20 0 CGADLP C[N@@H+](Cc1coc(-c2ccccc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152398279 188015263 /nfs/dbraw/zinc/01/52/63/188015263.db2.gz FRJLQSZXYSOFOG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1coc(-c2ccccc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152398279 188015264 /nfs/dbraw/zinc/01/52/64/188015264.db2.gz FRJLQSZXYSOFOG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152398279 188015265 /nfs/dbraw/zinc/01/52/65/188015265.db2.gz FRJLQSZXYSOFOG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152398279 188015266 /nfs/dbraw/zinc/01/52/66/188015266.db2.gz FRJLQSZXYSOFOG-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@@H+](Cc1coc(-c2ccccc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152398173 188015596 /nfs/dbraw/zinc/01/55/96/188015596.db2.gz FRJLQSZXYSOFOG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1coc(-c2ccccc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000152398173 188015597 /nfs/dbraw/zinc/01/55/97/188015597.db2.gz FRJLQSZXYSOFOG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000152398173 188015598 /nfs/dbraw/zinc/01/55/98/188015598.db2.gz FRJLQSZXYSOFOG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1coc(-c2ccccc2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152398173 188015600 /nfs/dbraw/zinc/01/56/00/188015600.db2.gz FRJLQSZXYSOFOG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368105157 234282978 /nfs/dbraw/zinc/28/29/78/234282978.db2.gz OQQZJEYWKNJGOV-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368105157 234282985 /nfs/dbraw/zinc/28/29/85/234282985.db2.gz OQQZJEYWKNJGOV-AEFFLSMTSA-N 2 2 295.430 3.186 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000154644663 188155390 /nfs/dbraw/zinc/15/53/90/188155390.db2.gz RWGBMYSUXWHCMA-NWDGAFQWSA-N 2 2 252.427 3.055 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000154644663 188155391 /nfs/dbraw/zinc/15/53/91/188155391.db2.gz RWGBMYSUXWHCMA-NWDGAFQWSA-N 2 2 252.427 3.055 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)s1 ZINC000154539168 188148394 /nfs/dbraw/zinc/14/83/94/188148394.db2.gz WNULIYRLNBRMLF-VHSXEESVSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)s1 ZINC000154539168 188148395 /nfs/dbraw/zinc/14/83/95/188148395.db2.gz WNULIYRLNBRMLF-VHSXEESVSA-N 2 2 258.818 3.146 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155677129 188220431 /nfs/dbraw/zinc/22/04/31/188220431.db2.gz DDSZWGSRFQYEKS-GFCCVEGCSA-N 2 2 293.798 3.286 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnccn1 ZINC000156209490 188249698 /nfs/dbraw/zinc/24/96/98/188249698.db2.gz VBCLYXVELNZTAJ-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnccn1 ZINC000156209490 188249700 /nfs/dbraw/zinc/24/97/00/188249700.db2.gz VBCLYXVELNZTAJ-JKSUJKDBSA-N 2 2 298.434 3.038 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292702811 198382280 /nfs/dbraw/zinc/38/22/80/198382280.db2.gz CMJVOLJUPXCQND-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292702811 198382282 /nfs/dbraw/zinc/38/22/82/198382282.db2.gz CMJVOLJUPXCQND-GOSISDBHSA-N 2 2 288.435 3.071 20 0 CGADLP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414068107 235328397 /nfs/dbraw/zinc/32/83/97/235328397.db2.gz QPHRCQWRRRVPKM-GOEBONIOSA-N 2 2 289.810 3.462 20 0 CGADLP CC(C)C[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000106463842 138354923 /nfs/dbraw/zinc/35/49/23/138354923.db2.gz KVBLRYAKAPJLAB-UHFFFAOYSA-N 2 2 276.428 3.132 20 0 CGADLP CC(C)c1nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000123670482 138369413 /nfs/dbraw/zinc/36/94/13/138369413.db2.gz GJRIRNXXMOGHTO-ZDUSSCGKSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000123670482 138369414 /nfs/dbraw/zinc/36/94/14/138369414.db2.gz GJRIRNXXMOGHTO-ZDUSSCGKSA-N 2 2 269.458 3.072 20 0 CGADLP CCC[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000111609256 138364014 /nfs/dbraw/zinc/36/40/14/138364014.db2.gz DGFFPXZVZXNOHL-CYBMUJFWSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000111609256 138364015 /nfs/dbraw/zinc/36/40/15/138364015.db2.gz DGFFPXZVZXNOHL-CYBMUJFWSA-N 2 2 286.341 3.279 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000423237722 236005208 /nfs/dbraw/zinc/00/52/08/236005208.db2.gz IMAYAIAXSMVQEF-WMZOPIPTSA-N 2 2 281.403 3.223 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423238778 236005742 /nfs/dbraw/zinc/00/57/42/236005742.db2.gz JITGMGYUIYVBME-PBHICJAKSA-N 2 2 278.440 3.215 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423241206 236006475 /nfs/dbraw/zinc/00/64/75/236006475.db2.gz LDBQBQNTYLDIPC-SPYBWZPUSA-N 2 2 298.430 3.477 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000423245061 236007492 /nfs/dbraw/zinc/00/74/92/236007492.db2.gz IMXBQIOQYSBBFM-ZWKOTPCHSA-N 2 2 282.387 3.059 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1Cl ZINC000423286649 236024956 /nfs/dbraw/zinc/02/49/56/236024956.db2.gz HYMZXFITWAUNJL-QMMMGPOBSA-N 2 2 261.196 3.381 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423397300 236063417 /nfs/dbraw/zinc/06/34/17/236063417.db2.gz UQVSCWJIYUBCKS-AAEUAGOBSA-N 2 2 282.453 3.186 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000483654836 535371057 /nfs/dbraw/zinc/37/10/57/535371057.db2.gz PWRJRYJAECDJPZ-FUHWJXTLSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000483654836 535371058 /nfs/dbraw/zinc/37/10/58/535371058.db2.gz PWRJRYJAECDJPZ-FUHWJXTLSA-N 2 2 272.436 3.453 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424285941 236142472 /nfs/dbraw/zinc/14/24/72/236142472.db2.gz GKPCCJKVTUNABB-CHWSQXEVSA-N 2 2 291.420 3.071 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427120132 236322710 /nfs/dbraw/zinc/32/27/10/236322710.db2.gz QCTNXGMBZJGSLY-RISCZKNCSA-N 2 2 290.794 3.270 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427120132 236322713 /nfs/dbraw/zinc/32/27/13/236322713.db2.gz QCTNXGMBZJGSLY-RISCZKNCSA-N 2 2 290.794 3.270 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000294670869 199127728 /nfs/dbraw/zinc/12/77/28/199127728.db2.gz CPYCHRGYXYEAIS-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCCC1 ZINC000423175084 283407540 /nfs/dbraw/zinc/40/75/40/283407540.db2.gz CWUARMSFBVBTHS-LBPRGKRZSA-N 2 2 298.352 3.342 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436295516 237072827 /nfs/dbraw/zinc/07/28/27/237072827.db2.gz HJMGECDLSLVKIV-WMZOPIPTSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436295516 237072836 /nfs/dbraw/zinc/07/28/36/237072836.db2.gz HJMGECDLSLVKIV-WMZOPIPTSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437107877 237251866 /nfs/dbraw/zinc/25/18/66/237251866.db2.gz LPEOYDBBWPTOCX-CQSZACIVSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CCSCC1 ZINC000354354212 299298567 /nfs/dbraw/zinc/29/85/67/299298567.db2.gz XQUVHLGRAZFTJG-KKUMJFAQSA-N 2 2 284.513 3.371 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000177001344 189020269 /nfs/dbraw/zinc/02/02/69/189020269.db2.gz XJVGYOBTAMQUKU-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000177001344 189020270 /nfs/dbraw/zinc/02/02/70/189020270.db2.gz XJVGYOBTAMQUKU-HNNXBMFYSA-N 2 2 275.783 3.411 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc(C)c1F ZINC000341940826 216160204 /nfs/dbraw/zinc/16/02/04/216160204.db2.gz HOTQUKYRADSDKE-CQSZACIVSA-N 2 2 264.388 3.189 20 0 CGADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181093067 189288682 /nfs/dbraw/zinc/28/86/82/189288682.db2.gz ZGWRDNCSRHWDGI-HNNXBMFYSA-N 2 2 257.381 3.009 20 0 CGADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181093067 189288683 /nfs/dbraw/zinc/28/86/83/189288683.db2.gz ZGWRDNCSRHWDGI-HNNXBMFYSA-N 2 2 257.381 3.009 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccc(F)cc21 ZINC000181113419 189289349 /nfs/dbraw/zinc/28/93/49/189289349.db2.gz RDZXRMJONXGSBC-MRXNPFEDSA-N 2 2 273.355 3.032 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccc(F)cc21 ZINC000181113419 189289350 /nfs/dbraw/zinc/28/93/50/189289350.db2.gz RDZXRMJONXGSBC-MRXNPFEDSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@@H]1CC[N@H+](CCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713313 189332796 /nfs/dbraw/zinc/33/27/96/189332796.db2.gz LAYIMOHHKRCOAG-WBVHZDCISA-N 2 2 297.402 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000182713313 189332797 /nfs/dbraw/zinc/33/27/97/189332797.db2.gz LAYIMOHHKRCOAG-WBVHZDCISA-N 2 2 297.402 3.039 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182800983 189335853 /nfs/dbraw/zinc/33/58/53/189335853.db2.gz ZDSLAAKGBIBSJQ-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182800983 189335854 /nfs/dbraw/zinc/33/58/54/189335854.db2.gz ZDSLAAKGBIBSJQ-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182836736 189336922 /nfs/dbraw/zinc/33/69/22/189336922.db2.gz HEYVLINWJGADLR-DOTOQJQBSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182836736 189336923 /nfs/dbraw/zinc/33/69/23/189336923.db2.gz HEYVLINWJGADLR-DOTOQJQBSA-N 2 2 269.392 3.151 20 0 CGADLP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301623096 201101309 /nfs/dbraw/zinc/10/13/09/201101309.db2.gz FHNOWVMEZVAJJO-ZDUSSCGKSA-N 2 2 278.444 3.297 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cc(C)cc[nH+]1)c1ccco1 ZINC000301651195 201116486 /nfs/dbraw/zinc/11/64/86/201116486.db2.gz QDEZDNYDKWSQKG-AWEZNQCLSA-N 2 2 273.380 3.478 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183181147 189349074 /nfs/dbraw/zinc/34/90/74/189349074.db2.gz WUIFYGWXTLSJKE-CYBMUJFWSA-N 2 2 292.452 3.294 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183181147 189349075 /nfs/dbraw/zinc/34/90/75/189349075.db2.gz WUIFYGWXTLSJKE-CYBMUJFWSA-N 2 2 292.452 3.294 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183178579 189349446 /nfs/dbraw/zinc/34/94/46/189349446.db2.gz WRICSHLAIFWRBV-GOSISDBHSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183178579 189349447 /nfs/dbraw/zinc/34/94/47/189349447.db2.gz WRICSHLAIFWRBV-GOSISDBHSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000449059691 239148325 /nfs/dbraw/zinc/14/83/25/239148325.db2.gz BBRFJUIDHJZNLS-MRXNPFEDSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1cccn2c(C[NH2+]CC3=CCCCC3)c[nH+]c12 ZINC000449376829 239364290 /nfs/dbraw/zinc/36/42/90/239364290.db2.gz PXIPYPACZZYCCZ-UHFFFAOYSA-N 2 2 255.365 3.233 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000119852878 370716571 /nfs/dbraw/zinc/71/65/71/370716571.db2.gz MHJBXDWAGPXVRE-NFAWXSAZSA-N 2 2 296.480 3.206 20 0 CGADLP CCC[NH+](CCC)CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119893130 370720643 /nfs/dbraw/zinc/72/06/43/370720643.db2.gz RVUFMMKRBJLDQW-UHFFFAOYSA-N 2 2 292.427 3.024 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119975890 370727268 /nfs/dbraw/zinc/72/72/68/370727268.db2.gz YLXYZVYCGUKVEN-TZMCWYRMSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119975890 370727271 /nfs/dbraw/zinc/72/72/71/370727271.db2.gz YLXYZVYCGUKVEN-TZMCWYRMSA-N 2 2 272.392 3.314 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457130 370769904 /nfs/dbraw/zinc/76/99/04/370769904.db2.gz BHWSDVAOCVSBRT-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457130 370769909 /nfs/dbraw/zinc/76/99/09/370769909.db2.gz BHWSDVAOCVSBRT-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450755958 240072560 /nfs/dbraw/zinc/07/25/60/240072560.db2.gz BJKBSZJNHVSXCR-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450755958 240072567 /nfs/dbraw/zinc/07/25/67/240072567.db2.gz BJKBSZJNHVSXCR-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450755958 240072572 /nfs/dbraw/zinc/07/25/72/240072572.db2.gz BJKBSZJNHVSXCR-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@H](C)CC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450755958 240072575 /nfs/dbraw/zinc/07/25/75/240072575.db2.gz BJKBSZJNHVSXCR-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450755960 240073604 /nfs/dbraw/zinc/07/36/04/240073604.db2.gz BJKBSZJNHVSXCR-HRCADAONSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450755960 240073612 /nfs/dbraw/zinc/07/36/12/240073612.db2.gz BJKBSZJNHVSXCR-HRCADAONSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450755960 240073615 /nfs/dbraw/zinc/07/36/15/240073615.db2.gz BJKBSZJNHVSXCR-HRCADAONSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450755960 240073625 /nfs/dbraw/zinc/07/36/25/240073625.db2.gz BJKBSZJNHVSXCR-HRCADAONSA-N 2 2 252.446 3.370 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451187939 240241546 /nfs/dbraw/zinc/24/15/46/240241546.db2.gz PYTRUJOCELPTMG-RKVPGOIHSA-N 2 2 283.419 3.458 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000451187939 240241553 /nfs/dbraw/zinc/24/15/53/240241553.db2.gz PYTRUJOCELPTMG-RKVPGOIHSA-N 2 2 283.419 3.458 20 0 CGADLP COc1cccc2c(NC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000275412957 193027460 /nfs/dbraw/zinc/02/74/60/193027460.db2.gz BGBZPJVGYHURQJ-UHFFFAOYSA-N 2 2 297.402 3.282 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H](C2CC2)C2CCC2)[nH+]c1 ZINC000453096955 240698168 /nfs/dbraw/zinc/69/81/68/240698168.db2.gz SLIPZLHVZOWEBL-QGZVFWFLSA-N 2 2 273.424 3.442 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)on1 ZINC000121166153 370836434 /nfs/dbraw/zinc/83/64/34/370836434.db2.gz NPVAOLKJQYLIGZ-WOSRLPQWSA-N 2 2 293.455 3.397 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)on1 ZINC000121166153 370836439 /nfs/dbraw/zinc/83/64/39/370836439.db2.gz NPVAOLKJQYLIGZ-WOSRLPQWSA-N 2 2 293.455 3.397 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000459428850 242104220 /nfs/dbraw/zinc/10/42/20/242104220.db2.gz PRCIIULNYRKPHH-RYUDHWBXSA-N 2 2 284.806 3.360 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000459428850 242104224 /nfs/dbraw/zinc/10/42/24/242104224.db2.gz PRCIIULNYRKPHH-RYUDHWBXSA-N 2 2 284.806 3.360 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1cccc(Cl)c1 ZINC000459542106 242127789 /nfs/dbraw/zinc/12/77/89/242127789.db2.gz VJUIITSABHRNSP-UHFFFAOYSA-N 2 2 284.831 3.039 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000459551451 242129426 /nfs/dbraw/zinc/12/94/26/242129426.db2.gz NZGJGQFIONPZAI-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000459551451 242129431 /nfs/dbraw/zinc/12/94/31/242129431.db2.gz NZGJGQFIONPZAI-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(C3CCCC3)C2)c[nH+]1 ZINC000459607997 242143690 /nfs/dbraw/zinc/14/36/90/242143690.db2.gz HJJRBDLIONPARQ-UHFFFAOYSA-N 2 2 258.409 3.445 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2Cl)C1 ZINC000459393506 242096812 /nfs/dbraw/zinc/09/68/12/242096812.db2.gz RJXBFBDWFMMJMV-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2Cl)C1 ZINC000459393506 242096817 /nfs/dbraw/zinc/09/68/17/242096817.db2.gz RJXBFBDWFMMJMV-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398194 242098403 /nfs/dbraw/zinc/09/84/03/242098403.db2.gz AHIUTUMCYFXVNJ-KSSFIOAISA-N 2 2 299.418 3.054 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000459398194 242098408 /nfs/dbraw/zinc/09/84/08/242098408.db2.gz AHIUTUMCYFXVNJ-KSSFIOAISA-N 2 2 299.418 3.054 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000459671429 242171807 /nfs/dbraw/zinc/17/18/07/242171807.db2.gz GLRZXQSOPIOLCC-XJKSGUPXSA-N 2 2 291.439 3.116 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000479450481 243105561 /nfs/dbraw/zinc/10/55/61/243105561.db2.gz VOKQMJWXHVFRLQ-QGZVFWFLSA-N 2 2 292.492 3.166 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489818 212166240 /nfs/dbraw/zinc/16/62/40/212166240.db2.gz XZOAOAIXHLINNE-GFCCVEGCSA-N 2 2 264.800 3.229 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000480161805 243140041 /nfs/dbraw/zinc/14/00/41/243140041.db2.gz AGLWNJXKWUXQNP-UAGQMJEPSA-N 2 2 260.425 3.314 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000480161805 243140045 /nfs/dbraw/zinc/14/00/45/243140045.db2.gz AGLWNJXKWUXQNP-UAGQMJEPSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739887 243204551 /nfs/dbraw/zinc/20/45/51/243204551.db2.gz UDUBWNUPOWHAGE-DAXOMENPSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739887 243204553 /nfs/dbraw/zinc/20/45/53/243204553.db2.gz UDUBWNUPOWHAGE-DAXOMENPSA-N 2 2 278.415 3.453 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482884931 243250268 /nfs/dbraw/zinc/25/02/68/243250268.db2.gz GHUAMDKWVAHWQI-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482884931 243250272 /nfs/dbraw/zinc/25/02/72/243250272.db2.gz GHUAMDKWVAHWQI-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000125218798 370932630 /nfs/dbraw/zinc/93/26/30/370932630.db2.gz FDMPRUZJBLWFDF-CQSZACIVSA-N 2 2 255.365 3.104 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000125218798 370932634 /nfs/dbraw/zinc/93/26/34/370932634.db2.gz FDMPRUZJBLWFDF-CQSZACIVSA-N 2 2 255.365 3.104 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(F)ccc3o2)CC1 ZINC000125202328 370932724 /nfs/dbraw/zinc/93/27/24/370932724.db2.gz AZDWFLVCAGZHQC-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(F)ccc3o2)CC1 ZINC000125202328 370932731 /nfs/dbraw/zinc/93/27/31/370932731.db2.gz AZDWFLVCAGZHQC-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1ccccc1F)Cc1ccccc1 ZINC000019913273 368782389 /nfs/dbraw/zinc/78/23/89/368782389.db2.gz KTBAVEOPQULNHN-UHFFFAOYSA-N 2 2 286.394 3.437 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1ccccc1F)Cc1ccccc1 ZINC000019913273 368782399 /nfs/dbraw/zinc/78/23/99/368782399.db2.gz KTBAVEOPQULNHN-UHFFFAOYSA-N 2 2 286.394 3.437 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000037140979 369067837 /nfs/dbraw/zinc/06/78/37/369067837.db2.gz MJSVTLJCJBALCP-LBPRGKRZSA-N 2 2 262.372 3.103 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000037228664 369076569 /nfs/dbraw/zinc/07/65/69/369076569.db2.gz JFPPHXMZDWTLQP-INIZCTEOSA-N 2 2 274.452 3.428 20 0 CGADLP CCc1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000037924768 369126435 /nfs/dbraw/zinc/12/64/35/369126435.db2.gz ZADXUTBZPWODOK-UHFFFAOYSA-N 2 2 281.469 3.058 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000040771445 369162738 /nfs/dbraw/zinc/16/27/38/369162738.db2.gz KGTZEXFDBSGGTG-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)s1 ZINC000423355459 299397473 /nfs/dbraw/zinc/39/74/73/299397473.db2.gz FNVPVLQTXIEIHK-KXUCPTDWSA-N 2 2 258.818 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685369 369267353 /nfs/dbraw/zinc/26/73/53/369267353.db2.gz ITYHDQAAOOUHNJ-AAEUAGOBSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000044685369 369267360 /nfs/dbraw/zinc/26/73/60/369267360.db2.gz ITYHDQAAOOUHNJ-AAEUAGOBSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269260 244277959 /nfs/dbraw/zinc/27/79/59/244277959.db2.gz WNJOOLSKEQRWOX-WMLDXEAASA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000494269260 244277961 /nfs/dbraw/zinc/27/79/61/244277961.db2.gz WNJOOLSKEQRWOX-WMLDXEAASA-N 2 2 278.415 3.078 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494353470 244283164 /nfs/dbraw/zinc/28/31/64/244283164.db2.gz XHWKTYMXICZKQG-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494353470 244283166 /nfs/dbraw/zinc/28/31/66/244283166.db2.gz XHWKTYMXICZKQG-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494395566 244286025 /nfs/dbraw/zinc/28/60/25/244286025.db2.gz XWNVBLYFMOKSRU-INIZCTEOSA-N 2 2 283.419 3.285 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000045664226 369283921 /nfs/dbraw/zinc/28/39/21/369283921.db2.gz SCHTVVLYOUPXCC-GFCCVEGCSA-N 2 2 254.443 3.303 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000228726699 189795119 /nfs/dbraw/zinc/79/51/19/189795119.db2.gz RVVYMQBEIAIYQX-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054463636 369503380 /nfs/dbraw/zinc/50/33/80/369503380.db2.gz VPKFQMOOITUPHL-CYBMUJFWSA-N 2 2 272.417 3.228 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000054463636 369503383 /nfs/dbraw/zinc/50/33/83/369503383.db2.gz VPKFQMOOITUPHL-CYBMUJFWSA-N 2 2 272.417 3.228 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000422776743 296145225 /nfs/dbraw/zinc/14/52/25/296145225.db2.gz DJNPGKNLKBETJL-DTWKUNHWSA-N 2 2 273.207 3.252 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000054077500 369492874 /nfs/dbraw/zinc/49/28/74/369492874.db2.gz HJEBOZRUWYURTI-WMLDXEAASA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC1CC[NH+](C)CC1 ZINC000063106051 369640639 /nfs/dbraw/zinc/64/06/39/369640639.db2.gz FLOCWWIOSFDOGO-UHFFFAOYSA-N 2 2 269.392 3.297 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000063319812 369646359 /nfs/dbraw/zinc/64/63/59/369646359.db2.gz OQAFVDGHRJKVFU-UHFFFAOYSA-N 2 2 276.424 3.332 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074668 369779183 /nfs/dbraw/zinc/77/91/83/369779183.db2.gz CEKZYZBAHYZQCY-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074668 369779190 /nfs/dbraw/zinc/77/91/90/369779190.db2.gz CEKZYZBAHYZQCY-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)o1 ZINC000076900992 369944858 /nfs/dbraw/zinc/94/48/58/369944858.db2.gz GUYMJONDXSBIQM-UHFFFAOYSA-N 2 2 283.375 3.197 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000090048968 370053817 /nfs/dbraw/zinc/05/38/17/370053817.db2.gz FWLMTZZHDHPGSO-LLVKDONJSA-N 2 2 267.442 3.011 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090667998 370063393 /nfs/dbraw/zinc/06/33/93/370063393.db2.gz MSMMEVWUDOTKPH-AWEZNQCLSA-N 2 2 299.462 3.385 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000093655771 370153905 /nfs/dbraw/zinc/15/39/05/370153905.db2.gz BYAAOBUXSNABJY-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000093644911 370154575 /nfs/dbraw/zinc/15/45/75/370154575.db2.gz RNMTXMMAVHNDQA-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000093644911 370154580 /nfs/dbraw/zinc/15/45/80/370154580.db2.gz RNMTXMMAVHNDQA-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644911 370154585 /nfs/dbraw/zinc/15/45/85/370154585.db2.gz RNMTXMMAVHNDQA-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644911 370154591 /nfs/dbraw/zinc/15/45/91/370154591.db2.gz RNMTXMMAVHNDQA-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000219348913 376200232 /nfs/dbraw/zinc/20/02/32/376200232.db2.gz VJYKSRYZDQZNPV-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCC1 ZINC000097928201 370257517 /nfs/dbraw/zinc/25/75/17/370257517.db2.gz ZREQAXSFGXDSTG-INIZCTEOSA-N 2 2 258.409 3.212 20 0 CGADLP CC1(C)CC(Nc2cc[nH+]c(C3CC3)n2)CC(C)(C)[NH2+]1 ZINC000110126398 370370090 /nfs/dbraw/zinc/37/00/90/370370090.db2.gz DJDAGQAQALIMPJ-UHFFFAOYSA-N 2 2 274.412 3.075 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000130205483 371018801 /nfs/dbraw/zinc/01/88/01/371018801.db2.gz FREWENPBSOIHNH-IRXDYDNUSA-N 2 2 269.392 3.199 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000131676566 371122112 /nfs/dbraw/zinc/12/21/12/371122112.db2.gz NUJWXJYKIRJXFQ-OBJOEFQTSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000131676566 371122115 /nfs/dbraw/zinc/12/21/15/371122115.db2.gz NUJWXJYKIRJXFQ-OBJOEFQTSA-N 2 2 278.465 3.202 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000133546712 371260758 /nfs/dbraw/zinc/26/07/58/371260758.db2.gz XECXSCQEURPJSA-WQVCFCJDSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000134697525 371360368 /nfs/dbraw/zinc/36/03/68/371360368.db2.gz OAXMVVMBIODBCC-UHFFFAOYSA-N 2 2 264.388 3.100 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151150950 371575892 /nfs/dbraw/zinc/57/58/92/371575892.db2.gz PZRPNVDODGHGEM-LBPRGKRZSA-N 2 2 293.798 3.286 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151495035 371608429 /nfs/dbraw/zinc/60/84/29/371608429.db2.gz XJTFHXWWYVBOKO-HNNXBMFYSA-N 2 2 284.407 3.492 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421821862 371642309 /nfs/dbraw/zinc/64/23/09/371642309.db2.gz UMQOQJAENZHTKR-NWDGAFQWSA-N 2 2 295.789 3.285 20 0 CGADLP COC1([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCC1 ZINC000421825087 371647103 /nfs/dbraw/zinc/64/71/03/371647103.db2.gz LPTGFNCTSIHFTD-OAHLLOKOSA-N 2 2 299.418 3.310 20 0 CGADLP COC1([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)CCCCC1 ZINC000421834951 371658233 /nfs/dbraw/zinc/65/82/33/371658233.db2.gz LTACCUOUZUBGAT-OAHLLOKOSA-N 2 2 276.424 3.260 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@H+](C)C1CC1 ZINC000337346189 214020513 /nfs/dbraw/zinc/02/05/13/214020513.db2.gz VYNONMUPRDBAPH-HLLBOEOZSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000337346189 214020517 /nfs/dbraw/zinc/02/05/17/214020517.db2.gz VYNONMUPRDBAPH-HLLBOEOZSA-N 2 2 287.451 3.180 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422564090 371752311 /nfs/dbraw/zinc/75/23/11/371752311.db2.gz VEQOOVJTUKNJBU-AVGNSLFASA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422564090 371752321 /nfs/dbraw/zinc/75/23/21/371752321.db2.gz VEQOOVJTUKNJBU-AVGNSLFASA-N 2 2 281.469 3.072 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1Cl ZINC000423378169 299427364 /nfs/dbraw/zinc/42/73/64/299427364.db2.gz ZKANTRLJWXANHA-BHDSKKPTSA-N 2 2 270.779 3.128 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422739971 371778111 /nfs/dbraw/zinc/77/81/11/371778111.db2.gz MLDSEYZFGYHBFJ-CQSZACIVSA-N 2 2 299.418 3.380 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337333207 214012741 /nfs/dbraw/zinc/01/27/41/214012741.db2.gz JGNNKCZOPGNEGB-SJLPKXTDSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337333207 214012744 /nfs/dbraw/zinc/01/27/44/214012744.db2.gz JGNNKCZOPGNEGB-SJLPKXTDSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422839844 371833863 /nfs/dbraw/zinc/83/38/63/371833863.db2.gz ROOLCHDUXPUFFB-AWBCAMRRSA-N 2 2 276.399 3.179 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000422803503 371819115 /nfs/dbraw/zinc/81/91/15/371819115.db2.gz JAIHSAWDLRKTOA-GYSYKLTISA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(F)ccc1SC)[C@@H]1CCC[NH2+]1 ZINC000422811338 371825157 /nfs/dbraw/zinc/82/51/57/371825157.db2.gz UFYAJZHYQRWXFU-KBPBESRZSA-N 2 2 282.428 3.168 20 0 CGADLP CCc1noc(CC)c1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863954 371844359 /nfs/dbraw/zinc/84/43/59/371844359.db2.gz MEFJLRVUHJTXFV-HOCLYGCPSA-N 2 2 285.391 3.034 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422887009 371855910 /nfs/dbraw/zinc/85/59/10/371855910.db2.gz ALNMTBPWAWPJJC-MELADBBJSA-N 2 2 293.480 3.277 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422896147 371860055 /nfs/dbraw/zinc/86/00/55/371860055.db2.gz XNZCYJFIBPRSKU-LSDHHAIUSA-N 2 2 285.391 3.091 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919628 371870174 /nfs/dbraw/zinc/87/01/74/371870174.db2.gz KMQNLWOJKICTBR-YDHLFZDLSA-N 2 2 296.842 3.228 20 0 CGADLP CCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422923508 371874391 /nfs/dbraw/zinc/87/43/91/371874391.db2.gz WKJHQBLNAAAPIM-DLBZAZTESA-N 2 2 288.435 3.268 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422932078 371878076 /nfs/dbraw/zinc/87/80/76/371878076.db2.gz YRIUGTOUKSKIKF-ZIAGYGMSSA-N 2 2 252.789 3.133 20 0 CGADLP CSCc1cc(F)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422849289 371838220 /nfs/dbraw/zinc/83/82/20/371838220.db2.gz BURBMMNSTTXXAM-MLGOLLRUSA-N 2 2 296.455 3.309 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000290088669 371899593 /nfs/dbraw/zinc/89/95/93/371899593.db2.gz ZKTMRXMOFZQIPG-NUEKZKHPSA-N 2 2 261.413 3.101 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000290103202 371905486 /nfs/dbraw/zinc/90/54/86/371905486.db2.gz SERGKARYAURCLO-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000290103202 371905491 /nfs/dbraw/zinc/90/54/91/371905491.db2.gz SERGKARYAURCLO-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166903 371918929 /nfs/dbraw/zinc/91/89/29/371918929.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166903 371918935 /nfs/dbraw/zinc/91/89/35/371918935.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166903 371918938 /nfs/dbraw/zinc/91/89/38/371918938.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166903 371918943 /nfs/dbraw/zinc/91/89/43/371918943.db2.gz YAYYDZYPIYUSQM-GRJAPKLVSA-N 2 2 294.389 3.393 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000290184990 371927138 /nfs/dbraw/zinc/92/71/38/371927138.db2.gz ZMNYKAAIBMBNFI-KBPBESRZSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000290204220 371933632 /nfs/dbraw/zinc/93/36/32/371933632.db2.gz PWJGLPHPOZGESA-KBXCAEBGSA-N 2 2 282.387 3.434 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423096685 371959996 /nfs/dbraw/zinc/95/99/96/371959996.db2.gz IBMMWKVWCSTIHP-OUCADQQQSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c[nH+]ccc1N ZINC000423172852 372001848 /nfs/dbraw/zinc/00/18/48/372001848.db2.gz VQWCQJSLFWXMCE-GFCCVEGCSA-N 2 2 284.407 3.037 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037320325 541863517 /nfs/dbraw/zinc/86/35/17/541863517.db2.gz YFZSGCCUNPDCEA-BXUZGUMPSA-N 2 2 291.395 3.237 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423172956 372002203 /nfs/dbraw/zinc/00/22/03/372002203.db2.gz WCQNAPHJGSXTIW-HKCMKHECSA-N 2 2 296.817 3.455 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037320326 541863640 /nfs/dbraw/zinc/86/36/40/541863640.db2.gz YFZSGCCUNPDCEA-FZMZJTMJSA-N 2 2 291.395 3.237 20 0 CGADLP Cc1ccn2cc(C[NH2+]CCCc3c[nH+]ccc3C)nc2c1 ZINC000290497049 372002281 /nfs/dbraw/zinc/00/22/81/372002281.db2.gz WJIGZYPXFPPFQM-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423129007 371980821 /nfs/dbraw/zinc/98/08/21/371980821.db2.gz LOJUQYKSMINHPW-SJORKVTESA-N 2 2 276.399 3.323 20 0 CGADLP Cc1ccoc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423128980 371981086 /nfs/dbraw/zinc/98/10/86/371981086.db2.gz LMYRVIJARLEAEX-HZPDHXFCSA-N 2 2 270.376 3.171 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142322 371988838 /nfs/dbraw/zinc/98/88/38/371988838.db2.gz VDLLQYXIYTYWHB-BRSBDYLESA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142322 371988844 /nfs/dbraw/zinc/98/88/44/371988844.db2.gz VDLLQYXIYTYWHB-BRSBDYLESA-N 3 2 295.515 3.007 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155965129 371954894 /nfs/dbraw/zinc/95/48/94/371954894.db2.gz IUNWHDAQUDIPNA-YOEHRIQHSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155965129 371954895 /nfs/dbraw/zinc/95/48/95/371954895.db2.gz IUNWHDAQUDIPNA-YOEHRIQHSA-N 2 2 299.418 3.080 20 0 CGADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423188621 372014960 /nfs/dbraw/zinc/01/49/60/372014960.db2.gz LUSJHLFSHRECGR-DLBZAZTESA-N 2 2 258.409 3.260 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000157343655 372016285 /nfs/dbraw/zinc/01/62/85/372016285.db2.gz RRLMNXVIFUICLQ-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000157343655 372016292 /nfs/dbraw/zinc/01/62/92/372016292.db2.gz RRLMNXVIFUICLQ-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000290582021 372022481 /nfs/dbraw/zinc/02/24/81/372022481.db2.gz URQCHFIQCVOETN-AWEZNQCLSA-N 2 2 275.371 3.148 20 0 CGADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000290582021 372022485 /nfs/dbraw/zinc/02/24/85/372022485.db2.gz URQCHFIQCVOETN-AWEZNQCLSA-N 2 2 275.371 3.148 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)o1 ZINC000423201475 372024771 /nfs/dbraw/zinc/02/47/71/372024771.db2.gz OVVGZNYVVXBAPE-CYBMUJFWSA-N 2 2 250.386 3.290 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)o1 ZINC000423201476 372025620 /nfs/dbraw/zinc/02/56/20/372025620.db2.gz OVVGZNYVVXBAPE-ZDUSSCGKSA-N 2 2 250.386 3.290 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2cccs2)cc1 ZINC000423202103 372027129 /nfs/dbraw/zinc/02/71/29/372027129.db2.gz JZQBAPJLBVIAEK-WFASDCNBSA-N 2 2 272.417 3.428 20 0 CGADLP C[C@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)[NH+](C)C ZINC000344161115 217079440 /nfs/dbraw/zinc/07/94/40/217079440.db2.gz GAPZYIQWJPAQRX-PBHICJAKSA-N 2 2 260.425 3.458 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1N1CCn2c[nH+]cc2C1 ZINC000290631353 372031847 /nfs/dbraw/zinc/03/18/47/372031847.db2.gz HDNBBEDYFIBQPY-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423212794 372034678 /nfs/dbraw/zinc/03/46/78/372034678.db2.gz KABXQMSFZUKCHK-CJNGLKHVSA-N 2 2 272.392 3.472 20 0 CGADLP CCCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423212023 372034685 /nfs/dbraw/zinc/03/46/85/372034685.db2.gz ZKRDWFKVNIXXIP-GDBMZVCRSA-N 2 2 276.424 3.268 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423215774 372036725 /nfs/dbraw/zinc/03/67/25/372036725.db2.gz OUQXKNOYZMPFSY-WMZOPIPTSA-N 2 2 284.378 3.061 20 0 CGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423230476 372042175 /nfs/dbraw/zinc/04/21/75/372042175.db2.gz DRRSOFIOSYWWDP-CRAIPNDOSA-N 2 2 288.435 3.268 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423235945 372042416 /nfs/dbraw/zinc/04/24/16/372042416.db2.gz NSZDEQOEHZGPHC-XHDPSFHLSA-N 2 2 264.800 3.059 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233511 372042584 /nfs/dbraw/zinc/04/25/84/372042584.db2.gz JZFRZGLJURTBKO-JQFCIGGWSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccnc1 ZINC000423278065 372046413 /nfs/dbraw/zinc/04/64/13/372046413.db2.gz PCUVLIJUVCHVOQ-CQSZACIVSA-N 2 2 261.413 3.045 20 0 CGADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423174211 372004092 /nfs/dbraw/zinc/00/40/92/372004092.db2.gz BQDSMNZLSQPVHG-HNNXBMFYSA-N 2 2 284.403 3.183 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1F ZINC000423174645 372004865 /nfs/dbraw/zinc/00/48/65/372004865.db2.gz BOACVSHPMDYCKS-LLVKDONJSA-N 2 2 268.351 3.277 20 0 CGADLP COC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(C)o1 ZINC000290522343 372009326 /nfs/dbraw/zinc/00/93/26/372009326.db2.gz XSKJYYKSXZUWHW-MRXNPFEDSA-N 2 2 288.391 3.201 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538005 372013066 /nfs/dbraw/zinc/01/30/66/372013066.db2.gz RBVUWNCVKJZIDS-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538005 372013071 /nfs/dbraw/zinc/01/30/71/372013071.db2.gz RBVUWNCVKJZIDS-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cs1 ZINC000290538005 372013077 /nfs/dbraw/zinc/01/30/77/372013077.db2.gz RBVUWNCVKJZIDS-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538005 372013081 /nfs/dbraw/zinc/01/30/81/372013081.db2.gz RBVUWNCVKJZIDS-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP CCOC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000159204975 372116358 /nfs/dbraw/zinc/11/63/58/372116358.db2.gz IFWLNBKLMASXFW-UHFFFAOYSA-N 2 2 287.407 3.085 20 0 CGADLP Cc1cccc(NCc2cc(C)[nH+]c(N3CCCC3)c2)[nH+]1 ZINC000291130104 372122406 /nfs/dbraw/zinc/12/24/06/372122406.db2.gz NAPQCWBRVVCOKI-UHFFFAOYSA-N 2 2 282.391 3.306 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423476521 372068897 /nfs/dbraw/zinc/06/88/97/372068897.db2.gz SOMKTCHCVADCGH-ZBFHGGJFSA-N 2 2 276.424 3.351 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423533140 372072645 /nfs/dbraw/zinc/07/26/45/372072645.db2.gz SJPSXWKAJBCGCM-YTQUADARSA-N 2 2 296.389 3.158 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)s1 ZINC000159261842 372123541 /nfs/dbraw/zinc/12/35/41/372123541.db2.gz WZUCPCFTQMZSSG-LLVKDONJSA-N 2 2 281.469 3.149 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159314118 372131347 /nfs/dbraw/zinc/13/13/47/372131347.db2.gz LHBKUPAXFSUBPX-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000159314118 372131351 /nfs/dbraw/zinc/13/13/51/372131351.db2.gz LHBKUPAXFSUBPX-JTQLQIEISA-N 2 2 290.304 3.015 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC34CCCC4)n2c1 ZINC000428553340 372230639 /nfs/dbraw/zinc/23/06/39/372230639.db2.gz XJGPYHUARZNFBQ-AWEZNQCLSA-N 2 2 255.365 3.065 20 0 CGADLP CC(C)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000292995173 372273574 /nfs/dbraw/zinc/27/35/74/372273574.db2.gz MPDODSKUSGDHOF-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000428937840 372285080 /nfs/dbraw/zinc/28/50/80/372285080.db2.gz HDVUTAZAONAAGQ-AWEZNQCLSA-N 2 2 279.428 3.023 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000428937840 372285087 /nfs/dbraw/zinc/28/50/87/372285087.db2.gz HDVUTAZAONAAGQ-AWEZNQCLSA-N 2 2 279.428 3.023 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000344351287 217163989 /nfs/dbraw/zinc/16/39/89/217163989.db2.gz OXNASDGRCOVVCG-KURKYZTESA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000344351287 217163992 /nfs/dbraw/zinc/16/39/92/217163992.db2.gz OXNASDGRCOVVCG-KURKYZTESA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cncc(F)c1 ZINC000162901894 372432813 /nfs/dbraw/zinc/43/28/13/372432813.db2.gz AOCPMYPHZDAKSD-CYBMUJFWSA-N 2 2 288.370 3.159 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000166202586 372566335 /nfs/dbraw/zinc/56/63/35/372566335.db2.gz AFUMDFDGCCJXMG-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP CCSCC[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000169224793 372627975 /nfs/dbraw/zinc/62/79/75/372627975.db2.gz CQZNYMNGRUKGCO-MRXNPFEDSA-N 2 2 280.481 3.412 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3cc[nH]c31)CCC2 ZINC000344524459 217220725 /nfs/dbraw/zinc/22/07/25/217220725.db2.gz ZCHMSVHLXLXAAH-MRXNPFEDSA-N 2 2 294.402 3.340 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nccc2ccccc21 ZINC000353390998 220058802 /nfs/dbraw/zinc/05/88/02/220058802.db2.gz WLXXDXWGVJJVKS-AWEZNQCLSA-N 2 2 280.375 3.172 20 0 CGADLP Oc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000295228473 372709262 /nfs/dbraw/zinc/70/92/62/372709262.db2.gz CPCXUKRIIXUFAC-UHFFFAOYSA-N 2 2 291.782 3.079 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000171692973 372810126 /nfs/dbraw/zinc/81/01/26/372810126.db2.gz MQAQJYFHVXJGDE-UHFFFAOYSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437073267 372845279 /nfs/dbraw/zinc/84/52/79/372845279.db2.gz FYPZERNCNFEFIZ-KGYLQXTDSA-N 2 2 278.362 3.036 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437073267 372845285 /nfs/dbraw/zinc/84/52/85/372845285.db2.gz FYPZERNCNFEFIZ-KGYLQXTDSA-N 2 2 278.362 3.036 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000172350560 372947314 /nfs/dbraw/zinc/94/73/14/372947314.db2.gz RPSYJFZTRFZSKJ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[N@H+](Cc1nc2ccccc2s1)C[C@H]1CCC[NH+](C)C1 ZINC000172350560 372947334 /nfs/dbraw/zinc/94/73/34/372947334.db2.gz RPSYJFZTRFZSKJ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000172350560 372947337 /nfs/dbraw/zinc/94/73/37/372947337.db2.gz RPSYJFZTRFZSKJ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172350560 372947352 /nfs/dbraw/zinc/94/73/52/372947352.db2.gz RPSYJFZTRFZSKJ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000438461764 372956669 /nfs/dbraw/zinc/95/66/69/372956669.db2.gz GODPHIKKEZLWPU-LBPRGKRZSA-N 2 2 285.313 3.401 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000296056959 373008679 /nfs/dbraw/zinc/00/86/79/373008679.db2.gz VPSNYXFDDAESKI-RLAWYHOSSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000296056959 373008685 /nfs/dbraw/zinc/00/86/85/373008685.db2.gz VPSNYXFDDAESKI-RLAWYHOSSA-N 2 2 292.398 3.110 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(C(F)F)CC1)CCC2 ZINC000442783171 373080601 /nfs/dbraw/zinc/08/06/01/373080601.db2.gz PMZUVIRRRRNAHT-ROKHWSDSSA-N 2 2 297.393 3.482 20 0 CGADLP FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000296311611 373087919 /nfs/dbraw/zinc/08/79/19/373087919.db2.gz OEKBJUJWVNAPHY-ONGXEEELSA-N 2 2 261.291 3.011 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCSC1 ZINC000442869088 373111702 /nfs/dbraw/zinc/11/17/02/373111702.db2.gz ALUURTASHYWJCG-HNNXBMFYSA-N 2 2 282.497 3.128 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000344856851 217334092 /nfs/dbraw/zinc/33/40/92/217334092.db2.gz ZVAXDRUCRQCOJT-HOCLYGCPSA-N 2 2 295.496 3.442 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000174516594 373330980 /nfs/dbraw/zinc/33/09/80/373330980.db2.gz FWVBHSNFFQKZLL-YOEHRIQHSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@H+]1C ZINC000174516594 373330997 /nfs/dbraw/zinc/33/09/97/373330997.db2.gz FWVBHSNFFQKZLL-YOEHRIQHSA-N 2 2 288.435 3.048 20 0 CGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000344987173 217378108 /nfs/dbraw/zinc/37/81/08/217378108.db2.gz UQLFSRNBQDORNF-DOTOQJQBSA-N 2 2 285.391 3.198 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000446977244 373389354 /nfs/dbraw/zinc/38/93/54/373389354.db2.gz MKXWPBHBEYGZBT-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000446977244 373389359 /nfs/dbraw/zinc/38/93/59/373389359.db2.gz MKXWPBHBEYGZBT-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353629964 220205974 /nfs/dbraw/zinc/20/59/74/220205974.db2.gz ZPJLOCRBWVGERI-VXGBXAGGSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353629964 220205979 /nfs/dbraw/zinc/20/59/79/220205979.db2.gz ZPJLOCRBWVGERI-VXGBXAGGSA-N 2 2 287.432 3.340 20 0 CGADLP CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1 ZINC000175591304 373488655 /nfs/dbraw/zinc/48/86/55/373488655.db2.gz DKQACZQENCXCGE-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)cc1 ZINC000175591304 373488666 /nfs/dbraw/zinc/48/86/66/373488666.db2.gz DKQACZQENCXCGE-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)cc1 ZINC000175591304 373488675 /nfs/dbraw/zinc/48/86/75/373488675.db2.gz DKQACZQENCXCGE-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP CCOc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1 ZINC000175591304 373488681 /nfs/dbraw/zinc/48/86/81/373488681.db2.gz DKQACZQENCXCGE-SJORKVTESA-N 2 2 288.435 3.144 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C1CC2(CCC2)C1)Cc1ccccc1 ZINC000448058928 373543633 /nfs/dbraw/zinc/54/36/33/373543633.db2.gz USJHIYWSWRXVNX-KRWDZBQOSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC2(CCC2)C1 ZINC000448057826 373543651 /nfs/dbraw/zinc/54/36/51/373543651.db2.gz FJLIRGZEGYFVOW-UHFFFAOYSA-N 2 2 269.392 3.267 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640375 220215015 /nfs/dbraw/zinc/21/50/15/220215015.db2.gz GKHKLRFKHZSQPP-AGIUHOORSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640375 220215019 /nfs/dbraw/zinc/21/50/19/220215019.db2.gz GKHKLRFKHZSQPP-AGIUHOORSA-N 2 2 261.413 3.071 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647940 220221104 /nfs/dbraw/zinc/22/11/04/220221104.db2.gz IBYLLWKHYFFNSK-IAGOWNOFSA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647940 220221107 /nfs/dbraw/zinc/22/11/07/220221107.db2.gz IBYLLWKHYFFNSK-IAGOWNOFSA-N 2 2 290.451 3.458 20 0 CGADLP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301061531 373644744 /nfs/dbraw/zinc/64/47/44/373644744.db2.gz BNOLWZIODISZCR-UHFFFAOYSA-N 2 2 290.455 3.217 20 0 CGADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000301082509 373653195 /nfs/dbraw/zinc/65/31/95/373653195.db2.gz OPDMVCOAXISXRA-CYBMUJFWSA-N 2 2 286.404 3.339 20 0 CGADLP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449434015 373712105 /nfs/dbraw/zinc/71/21/05/373712105.db2.gz OWEJSVLSMRMCDW-KGLIPLIRSA-N 2 2 257.381 3.250 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177287567 373673067 /nfs/dbraw/zinc/67/30/67/373673067.db2.gz JWIFWICJRABFFF-KBPBESRZSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177287567 373673069 /nfs/dbraw/zinc/67/30/69/373673069.db2.gz JWIFWICJRABFFF-KBPBESRZSA-N 2 2 296.842 3.101 20 0 CGADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000301155729 373677090 /nfs/dbraw/zinc/67/70/90/373677090.db2.gz AFQCLWDDVJXKMX-QGZVFWFLSA-N 2 2 281.403 3.058 20 0 CGADLP c1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000301155729 373677097 /nfs/dbraw/zinc/67/70/97/373677097.db2.gz AFQCLWDDVJXKMX-QGZVFWFLSA-N 2 2 281.403 3.058 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000178428599 373776837 /nfs/dbraw/zinc/77/68/37/373776837.db2.gz XWOYKOLFRZTIBK-CQSZACIVSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000178428599 373776842 /nfs/dbraw/zinc/77/68/42/373776842.db2.gz XWOYKOLFRZTIBK-CQSZACIVSA-N 2 2 287.382 3.014 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCC1 ZINC000177933902 373727427 /nfs/dbraw/zinc/72/74/27/373727427.db2.gz SMGWGCUZFAGLML-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccoc1)C(C)C ZINC000178220302 373755684 /nfs/dbraw/zinc/75/56/84/373755684.db2.gz QQNNLOGPUQKEDD-AWEZNQCLSA-N 2 2 252.402 3.439 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C3CCCC3)n2c1 ZINC000449752990 373882447 /nfs/dbraw/zinc/88/24/47/373882447.db2.gz HSHMNANGRIUBFM-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP C[C@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH+]ccn1C ZINC000180060574 373962129 /nfs/dbraw/zinc/96/21/29/373962129.db2.gz XRWIYMHSCSNIFE-NSHDSACASA-N 2 2 295.390 3.357 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180261438 373984783 /nfs/dbraw/zinc/98/47/83/373984783.db2.gz RXTDWXSWKOEHIQ-QAPCUYQASA-N 2 2 299.418 3.482 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1ccc(F)cc1 ZINC000181111962 374081081 /nfs/dbraw/zinc/08/10/81/374081081.db2.gz JDLOKHHODOMFSO-UHFFFAOYSA-N 2 2 293.411 3.136 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1ccc(F)cc1 ZINC000181111962 374081086 /nfs/dbraw/zinc/08/10/86/374081086.db2.gz JDLOKHHODOMFSO-UHFFFAOYSA-N 2 2 293.411 3.136 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000181568943 374142298 /nfs/dbraw/zinc/14/22/98/374142298.db2.gz XNKNNBRRKOHTGQ-IAGOWNOFSA-N 2 2 299.418 3.166 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181744942 374164195 /nfs/dbraw/zinc/16/41/95/374164195.db2.gz ZNQGHDFVDVXVOU-TWMKSMIVSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181744942 374164203 /nfs/dbraw/zinc/16/42/03/374164203.db2.gz ZNQGHDFVDVXVOU-TWMKSMIVSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CCC1 ZINC000309743932 374194767 /nfs/dbraw/zinc/19/47/67/374194767.db2.gz SWHRSFJNAGSMRH-MPGHIAIKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CCC1 ZINC000309743932 374194772 /nfs/dbraw/zinc/19/47/72/374194772.db2.gz SWHRSFJNAGSMRH-MPGHIAIKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1Br)C[NH+](C)C ZINC000310131139 374208036 /nfs/dbraw/zinc/20/80/36/374208036.db2.gz KTCZJEMFHMVENL-VXGBXAGGSA-N 2 2 299.256 3.297 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602929 374284372 /nfs/dbraw/zinc/28/43/72/374284372.db2.gz NNDIEEJZIRYBDX-SCZZXKLOSA-N 2 2 293.263 3.485 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312602929 374284377 /nfs/dbraw/zinc/28/43/77/374284377.db2.gz NNDIEEJZIRYBDX-SCZZXKLOSA-N 2 2 293.263 3.485 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000315319915 374328051 /nfs/dbraw/zinc/32/80/51/374328051.db2.gz LXNDXIBAELVHFW-JQHSSLGASA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C[N@@H+]1C1CC1 ZINC000453124824 374367010 /nfs/dbraw/zinc/36/70/10/374367010.db2.gz INHCYXNHRHVWKD-PVUWLOKVSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C[N@H+]1C1CC1 ZINC000453124824 374367018 /nfs/dbraw/zinc/36/70/18/374367018.db2.gz INHCYXNHRHVWKD-PVUWLOKVSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453340397 374431987 /nfs/dbraw/zinc/43/19/87/374431987.db2.gz BRVMSASPLFXFFQ-UWWQBHOKSA-N 2 2 299.418 3.074 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)c[nH+]1 ZINC000334150807 374650624 /nfs/dbraw/zinc/65/06/24/374650624.db2.gz NPJYJPHNRWFCMD-INIZCTEOSA-N 2 2 289.423 3.012 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1O ZINC000334150875 374650784 /nfs/dbraw/zinc/65/07/84/374650784.db2.gz JRJKTIFRJKWBOI-HNNXBMFYSA-N 2 2 285.391 3.112 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(C)c1O ZINC000334150875 374650793 /nfs/dbraw/zinc/65/07/93/374650793.db2.gz JRJKTIFRJKWBOI-HNNXBMFYSA-N 2 2 285.391 3.112 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(F)(F)CC1 ZINC000459342928 374805132 /nfs/dbraw/zinc/80/51/32/374805132.db2.gz LGFMLXJGANOGTP-CABCVRRESA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(F)(F)CC1 ZINC000459342928 374805141 /nfs/dbraw/zinc/80/51/41/374805141.db2.gz LGFMLXJGANOGTP-CABCVRRESA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(F)(F)CC1 ZINC000459342928 374805150 /nfs/dbraw/zinc/80/51/50/374805150.db2.gz LGFMLXJGANOGTP-CABCVRRESA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(F)(F)CC1 ZINC000459342928 374805156 /nfs/dbraw/zinc/80/51/56/374805156.db2.gz LGFMLXJGANOGTP-CABCVRRESA-N 2 2 286.410 3.371 20 0 CGADLP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC000187086107 374967273 /nfs/dbraw/zinc/96/72/73/374967273.db2.gz LOENVDREEFVKDW-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC000187086107 374967279 /nfs/dbraw/zinc/96/72/79/374967279.db2.gz LOENVDREEFVKDW-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000187086107 374967287 /nfs/dbraw/zinc/96/72/87/374967287.db2.gz LOENVDREEFVKDW-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC000187086107 374967295 /nfs/dbraw/zinc/96/72/95/374967295.db2.gz LOENVDREEFVKDW-KRWDZBQOSA-N 2 2 275.440 3.005 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800034 375033288 /nfs/dbraw/zinc/03/32/88/375033288.db2.gz RAKZAMICTLFXCF-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800034 375033301 /nfs/dbraw/zinc/03/33/01/375033301.db2.gz RAKZAMICTLFXCF-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800034 375033304 /nfs/dbraw/zinc/03/33/04/375033304.db2.gz RAKZAMICTLFXCF-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000334800034 375033313 /nfs/dbraw/zinc/03/33/13/375033313.db2.gz RAKZAMICTLFXCF-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149587 375176416 /nfs/dbraw/zinc/17/64/16/375176416.db2.gz NPAHJMAWMGACNP-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149587 375176418 /nfs/dbraw/zinc/17/64/18/375176418.db2.gz NPAHJMAWMGACNP-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1Cl ZINC000335149587 375176420 /nfs/dbraw/zinc/17/64/20/375176420.db2.gz NPAHJMAWMGACNP-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1Cl ZINC000335149587 375176424 /nfs/dbraw/zinc/17/64/24/375176424.db2.gz NPAHJMAWMGACNP-CMPLNLGQSA-N 2 2 272.845 3.174 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000484516494 375188384 /nfs/dbraw/zinc/18/83/84/375188384.db2.gz CRPJTWMENJSRCJ-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000484516494 375188387 /nfs/dbraw/zinc/18/83/87/375188387.db2.gz CRPJTWMENJSRCJ-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC23CCCC3)c[nH+]1 ZINC000189060805 375316066 /nfs/dbraw/zinc/31/60/66/375316066.db2.gz IUTOSTBIKMYXQH-OAHLLOKOSA-N 2 2 282.391 3.080 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114926 375327955 /nfs/dbraw/zinc/32/79/55/375327955.db2.gz JOESSOYHGRGVOS-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114926 375327962 /nfs/dbraw/zinc/32/79/62/375327962.db2.gz JOESSOYHGRGVOS-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114926 375327965 /nfs/dbraw/zinc/32/79/65/375327965.db2.gz JOESSOYHGRGVOS-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)CC[C@@H]21 ZINC000189114926 375327973 /nfs/dbraw/zinc/32/79/73/375327973.db2.gz JOESSOYHGRGVOS-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000188774695 375267854 /nfs/dbraw/zinc/26/78/54/375267854.db2.gz LTXLHGJZZVFYBI-ZDUSSCGKSA-N 2 2 291.439 3.004 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000335916314 375538442 /nfs/dbraw/zinc/53/84/42/375538442.db2.gz NYXHOXQDXCQTOK-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000335916314 375538444 /nfs/dbraw/zinc/53/84/44/375538444.db2.gz NYXHOXQDXCQTOK-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336004162 375609974 /nfs/dbraw/zinc/60/99/74/375609974.db2.gz GPLYEICYFVUUSS-SECBINFHSA-N 2 2 296.201 3.364 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191334238 375611113 /nfs/dbraw/zinc/61/11/13/375611113.db2.gz FUJFCHMUZWPPCJ-KCQAQPDRSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1C(C)C ZINC000191334238 375611121 /nfs/dbraw/zinc/61/11/21/375611121.db2.gz FUJFCHMUZWPPCJ-KCQAQPDRSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000192015059 375690592 /nfs/dbraw/zinc/69/05/92/375690592.db2.gz UOZZFZFSAJCJDF-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000192015059 375690598 /nfs/dbraw/zinc/69/05/98/375690598.db2.gz UOZZFZFSAJCJDF-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cocn2)CC1 ZINC000192286473 375724971 /nfs/dbraw/zinc/72/49/71/375724971.db2.gz UBCLYEZHWWUJQN-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)C1CCOCC1 ZINC000192158973 375704084 /nfs/dbraw/zinc/70/40/84/375704084.db2.gz LTOYZEMEFWANCP-OAHLLOKOSA-N 2 2 299.418 3.085 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000507510523 375710657 /nfs/dbraw/zinc/71/06/57/375710657.db2.gz NCQSOGGFAGHDOB-CYBMUJFWSA-N 2 2 290.373 3.349 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCC13CCC3)CCC2 ZINC000336212713 375759840 /nfs/dbraw/zinc/75/98/40/375759840.db2.gz HTPNENHPIBKBKU-CABCVRRESA-N 2 2 273.424 3.381 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000336313762 375775523 /nfs/dbraw/zinc/77/55/23/375775523.db2.gz DOVGMSRFDOHJQM-LLVKDONJSA-N 2 2 296.201 3.295 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000277976523 193808595 /nfs/dbraw/zinc/80/85/95/193808595.db2.gz VLAOKIKCTSJGFE-UHFFFAOYSA-N 2 2 299.340 3.387 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802567 375952102 /nfs/dbraw/zinc/95/21/02/375952102.db2.gz VCGIHSWMLADYMY-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802567 375952109 /nfs/dbraw/zinc/95/21/09/375952109.db2.gz VCGIHSWMLADYMY-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802567 375952114 /nfs/dbraw/zinc/95/21/14/375952114.db2.gz VCGIHSWMLADYMY-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802567 375952122 /nfs/dbraw/zinc/95/21/22/375952122.db2.gz VCGIHSWMLADYMY-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000336890544 376021454 /nfs/dbraw/zinc/02/14/54/376021454.db2.gz HKWXITFHMNZGON-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000336890544 376021461 /nfs/dbraw/zinc/02/14/61/376021461.db2.gz HKWXITFHMNZGON-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(O)c1 ZINC000194864054 376052205 /nfs/dbraw/zinc/05/22/05/376052205.db2.gz RFTWEIYPINGLDZ-CQSZACIVSA-N 2 2 293.370 3.429 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cscn1)C(C)C ZINC000535776989 376057419 /nfs/dbraw/zinc/05/74/19/376057419.db2.gz XUDMEPZVCTXJHE-ZDUSSCGKSA-N 2 2 269.458 3.303 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000337249571 376163808 /nfs/dbraw/zinc/16/38/08/376163808.db2.gz JLUNWTSQYLZYAW-NUJGCVRESA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000337249571 376163813 /nfs/dbraw/zinc/16/38/13/376163813.db2.gz JLUNWTSQYLZYAW-NUJGCVRESA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000337270740 376182850 /nfs/dbraw/zinc/18/28/50/376182850.db2.gz ZYCXMWVHAICWSB-YGRLFVJLSA-N 2 2 261.756 3.088 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274252 376307314 /nfs/dbraw/zinc/30/73/14/376307314.db2.gz GHRYOGOXJRPRRV-HIFRSBDPSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274252 376307324 /nfs/dbraw/zinc/30/73/24/376307324.db2.gz GHRYOGOXJRPRRV-HIFRSBDPSA-N 2 2 296.361 3.360 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)CCc1ccccc1)C1CC1 ZINC000226317903 376351960 /nfs/dbraw/zinc/35/19/60/376351960.db2.gz IBFXISMCQIZIRK-HNNXBMFYSA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)CCc1ccccc1)C1CC1 ZINC000226317903 376351967 /nfs/dbraw/zinc/35/19/67/376351967.db2.gz IBFXISMCQIZIRK-HNNXBMFYSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000539087500 376293420 /nfs/dbraw/zinc/29/34/20/376293420.db2.gz VAZYPRHAZCDSBG-DAXOMENPSA-N 2 2 280.843 3.201 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000539087500 376293424 /nfs/dbraw/zinc/29/34/24/376293424.db2.gz VAZYPRHAZCDSBG-DAXOMENPSA-N 2 2 280.843 3.201 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000540317322 376369265 /nfs/dbraw/zinc/36/92/65/376369265.db2.gz MILHHXJQDSWFGY-KBXCAEBGSA-N 2 2 288.435 3.078 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000540317322 376369274 /nfs/dbraw/zinc/36/92/74/376369274.db2.gz MILHHXJQDSWFGY-KBXCAEBGSA-N 2 2 288.435 3.078 20 0 CGADLP CC(C)CCC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000338430388 376373971 /nfs/dbraw/zinc/37/39/71/376373971.db2.gz KYCOONHPBYKOLB-UHFFFAOYSA-N 2 2 285.435 3.500 20 0 CGADLP Cc1cc(NCCCCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000338759807 376517782 /nfs/dbraw/zinc/51/77/82/376517782.db2.gz XCBJTTXNIPCRFQ-UHFFFAOYSA-N 2 2 290.455 3.008 20 0 CGADLP C[C@@H](c1cccs1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231360781 376558604 /nfs/dbraw/zinc/55/86/04/376558604.db2.gz MDKVMGIZYNPBLB-ZDUSSCGKSA-N 2 2 260.406 3.270 20 0 CGADLP C[C@@H](c1cccs1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231360781 376558608 /nfs/dbraw/zinc/55/86/08/376558608.db2.gz MDKVMGIZYNPBLB-ZDUSSCGKSA-N 2 2 260.406 3.270 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(F)c2F)C1 ZINC000542278431 376528574 /nfs/dbraw/zinc/52/85/74/376528574.db2.gz SLMDYHNEYMFLJZ-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(F)c2F)C1 ZINC000542278431 376528582 /nfs/dbraw/zinc/52/85/82/376528582.db2.gz SLMDYHNEYMFLJZ-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(F)c2F)C1 ZINC000542278431 376528589 /nfs/dbraw/zinc/52/85/89/376528589.db2.gz SLMDYHNEYMFLJZ-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000542278431 376528595 /nfs/dbraw/zinc/52/85/95/376528595.db2.gz SLMDYHNEYMFLJZ-AWEZNQCLSA-N 2 2 296.405 3.171 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000230769123 376541049 /nfs/dbraw/zinc/54/10/49/376541049.db2.gz MLWHMXYXRFMFAZ-HRCADAONSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235530765 376643668 /nfs/dbraw/zinc/64/36/68/376643668.db2.gz UYKZAUQRXNCKSG-GWCFXTLKSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCO1 ZINC000544356536 376725154 /nfs/dbraw/zinc/72/51/54/376725154.db2.gz CDWWVLLGTYOBNS-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCO1 ZINC000544356536 376725162 /nfs/dbraw/zinc/72/51/62/376725162.db2.gz CDWWVLLGTYOBNS-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCCCC1 ZINC000236708958 376685287 /nfs/dbraw/zinc/68/52/87/376685287.db2.gz FRTVCPXIPMUCLM-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000545187476 376794172 /nfs/dbraw/zinc/79/41/72/376794172.db2.gz SGJNGMCIHUZHCX-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000545187476 376794178 /nfs/dbraw/zinc/79/41/78/376794178.db2.gz SGJNGMCIHUZHCX-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCc3ccccc32)CC[N@@H+]1C ZINC000156160475 542126599 /nfs/dbraw/zinc/12/65/99/542126599.db2.gz VXQVJOWZGMHZCM-IVMMDQJWSA-N 2 2 276.449 3.047 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCc3ccccc32)CC[N@H+]1C ZINC000156160475 542126602 /nfs/dbraw/zinc/12/66/02/542126602.db2.gz VXQVJOWZGMHZCM-IVMMDQJWSA-N 2 2 276.449 3.047 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cncc(F)c3)[nH+]c12 ZINC000156335988 542127447 /nfs/dbraw/zinc/12/74/47/542127447.db2.gz KGBTURDOGIPKPS-CYBMUJFWSA-N 2 2 298.365 3.070 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157792762 542138458 /nfs/dbraw/zinc/13/84/58/542138458.db2.gz JTGUUFFJMGPQTH-RDJZCZTQSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157792762 542138462 /nfs/dbraw/zinc/13/84/62/542138462.db2.gz JTGUUFFJMGPQTH-RDJZCZTQSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245875217 376922872 /nfs/dbraw/zinc/92/28/72/376922872.db2.gz SUUXHVIZKFWZQA-FUHWJXTLSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245875217 376922881 /nfs/dbraw/zinc/92/28/81/376922881.db2.gz SUUXHVIZKFWZQA-FUHWJXTLSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000340181360 376936919 /nfs/dbraw/zinc/93/69/19/376936919.db2.gz KEMDSERHZXNNGO-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000340181360 376936924 /nfs/dbraw/zinc/93/69/24/376936924.db2.gz KEMDSERHZXNNGO-VQIMIIECSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1F ZINC000340184123 376940696 /nfs/dbraw/zinc/94/06/96/376940696.db2.gz POMQLOFZJNAVRO-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccncc1F ZINC000340184123 376940703 /nfs/dbraw/zinc/94/07/03/376940703.db2.gz POMQLOFZJNAVRO-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000340210494 376951573 /nfs/dbraw/zinc/95/15/73/376951573.db2.gz RRKFWCCQKOJBDK-NJAFHUGGSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505554 377015355 /nfs/dbraw/zinc/01/53/55/377015355.db2.gz JBGJXHDKFMTJLQ-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505554 377015363 /nfs/dbraw/zinc/01/53/63/377015363.db2.gz JBGJXHDKFMTJLQ-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000558260829 376993671 /nfs/dbraw/zinc/99/36/71/376993671.db2.gz XUWILDQKKRRULL-HKUYNNGSSA-N 2 2 299.462 3.347 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cc3ccccc3o1)CCCC2 ZINC000560070773 377118536 /nfs/dbraw/zinc/11/85/36/377118536.db2.gz CDZGZRNEFGRPOW-UHFFFAOYSA-N 2 2 281.359 3.255 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449642 377065166 /nfs/dbraw/zinc/06/51/66/377065166.db2.gz MBXQRATXVQGSLT-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000340449642 377065171 /nfs/dbraw/zinc/06/51/71/377065171.db2.gz MBXQRATXVQGSLT-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340475518 377088859 /nfs/dbraw/zinc/08/88/59/377088859.db2.gz SEMGZHCITFJXNW-GUTXKFCHSA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000340475518 377088867 /nfs/dbraw/zinc/08/88/67/377088867.db2.gz SEMGZHCITFJXNW-GUTXKFCHSA-N 2 2 279.428 3.002 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CC(C)C ZINC000247020890 377142033 /nfs/dbraw/zinc/14/20/33/377142033.db2.gz LSSWJVDOTSGKOR-ZJPYXAASSA-N 3 2 297.531 3.061 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000247020890 377142039 /nfs/dbraw/zinc/14/20/39/377142039.db2.gz LSSWJVDOTSGKOR-ZJPYXAASSA-N 3 2 297.531 3.061 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052442 377149662 /nfs/dbraw/zinc/14/96/62/377149662.db2.gz NHQTZMDNIAYTDC-KSZLIROESA-N 3 2 297.531 3.063 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000247052442 377149670 /nfs/dbraw/zinc/14/96/70/377149670.db2.gz NHQTZMDNIAYTDC-KSZLIROESA-N 3 2 297.531 3.063 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000247177572 377172201 /nfs/dbraw/zinc/17/22/01/377172201.db2.gz YXNCHLHRLYCHRA-LSDHHAIUSA-N 2 2 278.440 3.117 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000247177572 377172210 /nfs/dbraw/zinc/17/22/10/377172210.db2.gz YXNCHLHRLYCHRA-LSDHHAIUSA-N 2 2 278.440 3.117 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892561 377198341 /nfs/dbraw/zinc/19/83/41/377198341.db2.gz MKLPMIBJQPSATH-MAUKXSAKSA-N 2 2 280.415 3.316 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C(c1ccccc1)c1ccccc1 ZINC000560892561 377198350 /nfs/dbraw/zinc/19/83/50/377198350.db2.gz MKLPMIBJQPSATH-MAUKXSAKSA-N 2 2 280.415 3.316 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1F ZINC000340678567 377211788 /nfs/dbraw/zinc/21/17/88/377211788.db2.gz CBCBAIBKLFOAEJ-UHFFFAOYSA-N 2 2 264.388 3.134 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1F ZINC000340678567 377211800 /nfs/dbraw/zinc/21/18/00/377211800.db2.gz CBCBAIBKLFOAEJ-UHFFFAOYSA-N 2 2 264.388 3.134 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000248526477 377337249 /nfs/dbraw/zinc/33/72/49/377337249.db2.gz FTUJFZDFQJRZQI-OLZOCXBDSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000248526477 377337257 /nfs/dbraw/zinc/33/72/57/377337257.db2.gz FTUJFZDFQJRZQI-OLZOCXBDSA-N 2 2 298.377 3.423 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000563350495 377446610 /nfs/dbraw/zinc/44/66/10/377446610.db2.gz OOVYNMPWMZKDAI-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000563350495 377446623 /nfs/dbraw/zinc/44/66/23/377446623.db2.gz OOVYNMPWMZKDAI-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP CC(C)c1cc(N2CCC[C@@H]2C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000341278001 377483893 /nfs/dbraw/zinc/48/38/93/377483893.db2.gz WHOKIGXHWJJMDE-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1C(F)(F)F ZINC000414949833 249124384 /nfs/dbraw/zinc/12/43/84/249124384.db2.gz GVRMSHFPPMYXDZ-FZMZJTMJSA-N 2 2 286.341 3.244 20 0 CGADLP [NH3+]C1(CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000168867865 542178436 /nfs/dbraw/zinc/17/84/36/542178436.db2.gz WLESOFDOGLPGEQ-UHFFFAOYSA-N 2 2 297.358 3.084 20 0 CGADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000469875829 249161686 /nfs/dbraw/zinc/16/16/86/249161686.db2.gz ZHDXLOGLCPNBKG-CVEARBPZSA-N 2 2 260.425 3.382 20 0 CGADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000469875829 249161689 /nfs/dbraw/zinc/16/16/89/249161689.db2.gz ZHDXLOGLCPNBKG-CVEARBPZSA-N 2 2 260.425 3.382 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C2CC(c3ccccc3C)C2)[C@@H](C)C1 ZINC000341449017 377568666 /nfs/dbraw/zinc/56/86/66/377568666.db2.gz ANQYCKVZUGSUFY-USSHROBNSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C2CC(c3ccccc3C)C2)[C@@H](C)C1 ZINC000341449017 377568674 /nfs/dbraw/zinc/56/86/74/377568674.db2.gz ANQYCKVZUGSUFY-USSHROBNSA-N 2 2 272.436 3.171 20 0 CGADLP C[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049192 377572797 /nfs/dbraw/zinc/57/27/97/377572797.db2.gz ADNWSAXHDOVTPT-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000251049192 377572802 /nfs/dbraw/zinc/57/28/02/377572802.db2.gz ADNWSAXHDOVTPT-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP CC1=CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000514744717 249188286 /nfs/dbraw/zinc/18/82/86/249188286.db2.gz PEBOCKQBTXREFB-HNNXBMFYSA-N 2 2 268.364 3.237 20 0 CGADLP CN(CCC[NH+]1CCCC1)c1[nH+]ccc2cc(F)ccc21 ZINC000515469156 249212624 /nfs/dbraw/zinc/21/26/24/249212624.db2.gz FSBNVAIMILGHMK-UHFFFAOYSA-N 2 2 287.382 3.296 20 0 CGADLP CC(C)c1nc(NCC2([NH+](C)C)CCCCCC2)cc[nH+]1 ZINC000518352924 249279163 /nfs/dbraw/zinc/27/91/63/249279163.db2.gz UFDDXJLFAHSEND-UHFFFAOYSA-N 2 2 290.455 3.088 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251580754 377588932 /nfs/dbraw/zinc/58/89/32/377588932.db2.gz CJGKUELGTJBQDD-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251580754 377588940 /nfs/dbraw/zinc/58/89/40/377588940.db2.gz CJGKUELGTJBQDD-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000180761832 542214999 /nfs/dbraw/zinc/21/49/99/542214999.db2.gz JXFKBOZRDAWMAZ-ZQIUZPCESA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000180761832 542215001 /nfs/dbraw/zinc/21/50/01/542215001.db2.gz JXFKBOZRDAWMAZ-ZQIUZPCESA-N 2 2 298.434 3.032 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCCOc3ccccc3)CC2)[nH]1 ZINC000342577071 377668399 /nfs/dbraw/zinc/66/83/99/377668399.db2.gz AMZLSCMSXIUHFW-UHFFFAOYSA-N 2 2 299.418 3.448 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000252970601 377672173 /nfs/dbraw/zinc/67/21/73/377672173.db2.gz XECXSCQEURPJSA-KCXAZCMYSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000342693376 377739551 /nfs/dbraw/zinc/73/95/51/377739551.db2.gz ACFQJDKHLZJRSK-PVAVHDDUSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000342693376 377739555 /nfs/dbraw/zinc/73/95/55/377739555.db2.gz ACFQJDKHLZJRSK-PVAVHDDUSA-N 2 2 287.451 3.070 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1Oc1ccccc1 ZINC000342680084 377731324 /nfs/dbraw/zinc/73/13/24/377731324.db2.gz ZZPICOIZFAFSPJ-IAGOWNOFSA-N 2 2 299.418 3.109 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725671 377758219 /nfs/dbraw/zinc/75/82/19/377758219.db2.gz KKADYYBUTXHROX-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725671 377758224 /nfs/dbraw/zinc/75/82/24/377758224.db2.gz KKADYYBUTXHROX-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725671 377758233 /nfs/dbraw/zinc/75/82/33/377758233.db2.gz KKADYYBUTXHROX-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000342725671 377758242 /nfs/dbraw/zinc/75/82/42/377758242.db2.gz KKADYYBUTXHROX-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261905647 377865209 /nfs/dbraw/zinc/86/52/09/377865209.db2.gz WZEDFDDGSXWGML-SUMWQHHRSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261905647 377865213 /nfs/dbraw/zinc/86/52/13/377865213.db2.gz WZEDFDDGSXWGML-SUMWQHHRSA-N 2 2 285.391 3.073 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000261999554 377877976 /nfs/dbraw/zinc/87/79/76/377877976.db2.gz UABZXXXGUSXRHS-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000261999554 377877983 /nfs/dbraw/zinc/87/79/83/377877983.db2.gz UABZXXXGUSXRHS-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1[NH3+] ZINC000262038076 377883127 /nfs/dbraw/zinc/88/31/27/377883127.db2.gz OUQDWEVFBDIXHJ-RDTXWAMCSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1[NH3+] ZINC000262038076 377883128 /nfs/dbraw/zinc/88/31/28/377883128.db2.gz OUQDWEVFBDIXHJ-RDTXWAMCSA-N 2 2 266.388 3.133 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1C)c1ccccc1C ZINC000342863138 377845050 /nfs/dbraw/zinc/84/50/50/377845050.db2.gz GTLNBMLDHLFHQY-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1C)c1ccccc1C ZINC000342863138 377845060 /nfs/dbraw/zinc/84/50/60/377845060.db2.gz GTLNBMLDHLFHQY-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4cnccc43)CC2)c[nH+]1 ZINC000183214659 542228470 /nfs/dbraw/zinc/22/84/70/542228470.db2.gz VGFNAVJCPSYSHY-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP CCO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317371 377951748 /nfs/dbraw/zinc/95/17/48/377951748.db2.gz ZJBTWSHXQZTXGJ-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(CC)CC ZINC000343317371 377951755 /nfs/dbraw/zinc/95/17/55/377951755.db2.gz ZJBTWSHXQZTXGJ-HOTGVXAUSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321729 377951916 /nfs/dbraw/zinc/95/19/16/377951916.db2.gz FYUQBCXONLJOGR-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321729 377951923 /nfs/dbraw/zinc/95/19/23/377951923.db2.gz FYUQBCXONLJOGR-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321730 377951938 /nfs/dbraw/zinc/95/19/38/377951938.db2.gz FYUQBCXONLJOGR-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321730 377951939 /nfs/dbraw/zinc/95/19/39/377951939.db2.gz FYUQBCXONLJOGR-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321727 377952055 /nfs/dbraw/zinc/95/20/55/377952055.db2.gz FYUQBCXONLJOGR-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1(C)C ZINC000343321727 377952059 /nfs/dbraw/zinc/95/20/59/377952059.db2.gz FYUQBCXONLJOGR-CVEARBPZSA-N 2 2 293.455 3.189 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]cn3C)oc21 ZINC000263857215 377952738 /nfs/dbraw/zinc/95/27/38/377952738.db2.gz SQJZQHCNRZYVKB-LLVKDONJSA-N 2 2 285.347 3.026 20 0 CGADLP Cc1cc[nH+]c(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000343453572 377984195 /nfs/dbraw/zinc/98/41/95/377984195.db2.gz OVKRVSFUSKYJIC-UHFFFAOYSA-N 2 2 264.332 3.392 20 0 CGADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000575795206 377990630 /nfs/dbraw/zinc/99/06/30/377990630.db2.gz YSDGBNUSHXSWJW-AEFFLSMTSA-N 3 2 295.515 3.007 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000578443396 378069969 /nfs/dbraw/zinc/06/99/69/378069969.db2.gz RPVIVOKHVITYIT-IBGZPJMESA-N 2 2 280.415 3.096 20 0 CGADLP Cc1ccc(CC[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000578443396 378069971 /nfs/dbraw/zinc/06/99/71/378069971.db2.gz RPVIVOKHVITYIT-IBGZPJMESA-N 2 2 280.415 3.096 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1F ZINC000268792218 378111691 /nfs/dbraw/zinc/11/16/91/378111691.db2.gz DQKYMVRUQHEGEL-VXGBXAGGSA-N 2 2 293.411 3.483 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006605 378121854 /nfs/dbraw/zinc/12/18/54/378121854.db2.gz LPTIUQAKVLPDLU-SCUASFONSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006605 378121859 /nfs/dbraw/zinc/12/18/59/378121859.db2.gz LPTIUQAKVLPDLU-SCUASFONSA-N 2 2 290.373 3.180 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268819621 378122786 /nfs/dbraw/zinc/12/27/86/378122786.db2.gz NQRYONDTGNSRDH-VXGBXAGGSA-N 2 2 293.798 3.284 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579242068 378143252 /nfs/dbraw/zinc/14/32/52/378143252.db2.gz DHAPGIIXYTUAAT-IHRRRGAJSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579242068 378143256 /nfs/dbraw/zinc/14/32/56/378143256.db2.gz DHAPGIIXYTUAAT-IHRRRGAJSA-N 2 2 261.413 3.071 20 0 CGADLP CCC(CC)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268775319 378107924 /nfs/dbraw/zinc/10/79/24/378107924.db2.gz RJWVGROIVSIBKW-UHFFFAOYSA-N 2 2 257.381 3.210 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000345334096 378259414 /nfs/dbraw/zinc/25/94/14/378259414.db2.gz WNZYBKYRPLXXPD-RYUDHWBXSA-N 2 2 269.458 3.257 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCSc3c(F)cccc32)n1C ZINC000582252965 378297771 /nfs/dbraw/zinc/29/77/71/378297771.db2.gz XQDBXKDLUFMFTO-AWEZNQCLSA-N 2 2 291.395 3.194 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000582359665 378306790 /nfs/dbraw/zinc/30/67/90/378306790.db2.gz BQUPEGIEBPWGPQ-BGTYHANMSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000582359665 378306795 /nfs/dbraw/zinc/30/67/95/378306795.db2.gz BQUPEGIEBPWGPQ-BGTYHANMSA-N 2 2 290.426 3.377 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccccc1OC ZINC000270858002 378405702 /nfs/dbraw/zinc/40/57/02/378405702.db2.gz RBBQQUUXJQACGD-OAHLLOKOSA-N 2 2 287.407 3.365 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000270854915 378406142 /nfs/dbraw/zinc/40/61/42/378406142.db2.gz IXPOBZFGCZLJFU-QAPCUYQASA-N 2 2 283.419 3.145 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000270854915 378406146 /nfs/dbraw/zinc/40/61/46/378406146.db2.gz IXPOBZFGCZLJFU-QAPCUYQASA-N 2 2 283.419 3.145 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000270881700 378409118 /nfs/dbraw/zinc/40/91/18/378409118.db2.gz NRDUGZZLVSLJJU-WMLDXEAASA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000270881700 378409122 /nfs/dbraw/zinc/40/91/22/378409122.db2.gz NRDUGZZLVSLJJU-WMLDXEAASA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000270893464 378410589 /nfs/dbraw/zinc/41/05/89/378410589.db2.gz POSGWKHGJNPOCX-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000270893464 378410594 /nfs/dbraw/zinc/41/05/94/378410594.db2.gz POSGWKHGJNPOCX-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000270884905 378411196 /nfs/dbraw/zinc/41/11/96/378411196.db2.gz OEBBKRXJYUIYET-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000270884905 378411198 /nfs/dbraw/zinc/41/11/98/378411198.db2.gz OEBBKRXJYUIYET-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346096290 378463246 /nfs/dbraw/zinc/46/32/46/378463246.db2.gz PEVQQBXALLGQJB-OAHLLOKOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346096290 378463250 /nfs/dbraw/zinc/46/32/50/378463250.db2.gz PEVQQBXALLGQJB-OAHLLOKOSA-N 2 2 272.417 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)[nH]1 ZINC000271144697 378463509 /nfs/dbraw/zinc/46/35/09/378463509.db2.gz ZRLYTMOHKFDNKX-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)[nH]1 ZINC000271144697 378463516 /nfs/dbraw/zinc/46/35/16/378463516.db2.gz ZRLYTMOHKFDNKX-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168184 378487385 /nfs/dbraw/zinc/48/73/85/378487385.db2.gz CEWXJYREQULZTB-NEPJUHHUSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168184 378487389 /nfs/dbraw/zinc/48/73/89/378487389.db2.gz CEWXJYREQULZTB-NEPJUHHUSA-N 2 2 261.394 3.164 20 0 CGADLP C[N@H+](CCC1CC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180604 378493628 /nfs/dbraw/zinc/49/36/28/378493628.db2.gz UFFMXGAJCQZBJB-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP C[N@@H+](CCC1CC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180604 378493632 /nfs/dbraw/zinc/49/36/32/378493632.db2.gz UFFMXGAJCQZBJB-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346233105 378515113 /nfs/dbraw/zinc/51/51/13/378515113.db2.gz ZDCJNXCQGIKGCW-INMHGKMJSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346233105 378515120 /nfs/dbraw/zinc/51/51/20/378515120.db2.gz ZDCJNXCQGIKGCW-INMHGKMJSA-N 2 2 274.408 3.361 20 0 CGADLP CCc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346375952 378560528 /nfs/dbraw/zinc/56/05/28/378560528.db2.gz CPIXWIFUTWFYHT-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346375952 378560535 /nfs/dbraw/zinc/56/05/35/378560535.db2.gz CPIXWIFUTWFYHT-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000346498206 378595839 /nfs/dbraw/zinc/59/58/39/378595839.db2.gz XMUWDVUODUJBSF-JCGIZDLHSA-N 2 2 290.451 3.009 20 0 CGADLP C[C@@H]([NH2+]CCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346503376 378597543 /nfs/dbraw/zinc/59/75/43/378597543.db2.gz QMZIFAGDEKTNRE-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641397 378657805 /nfs/dbraw/zinc/65/78/05/378657805.db2.gz LYSQYYAFPRGFEZ-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000346641397 378657812 /nfs/dbraw/zinc/65/78/12/378657812.db2.gz LYSQYYAFPRGFEZ-VHSXEESVSA-N 2 2 290.304 3.014 20 0 CGADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272545159 378663820 /nfs/dbraw/zinc/66/38/20/378663820.db2.gz GFCBQKBMFFPJOH-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP COc1ccccc1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272545159 378663822 /nfs/dbraw/zinc/66/38/22/378663822.db2.gz GFCBQKBMFFPJOH-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272595690 378672962 /nfs/dbraw/zinc/67/29/62/378672962.db2.gz UINXDKVNMKRBKT-OLZOCXBDSA-N 2 2 296.374 3.492 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272595690 378672969 /nfs/dbraw/zinc/67/29/69/378672969.db2.gz UINXDKVNMKRBKT-OLZOCXBDSA-N 2 2 296.374 3.492 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)s1 ZINC000346792129 378689641 /nfs/dbraw/zinc/68/96/41/378689641.db2.gz DNCGGOLCNQXMOF-RWMBFGLXSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)s1 ZINC000346792129 378689645 /nfs/dbraw/zinc/68/96/45/378689645.db2.gz DNCGGOLCNQXMOF-RWMBFGLXSA-N 2 2 252.427 3.190 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000637955695 378644534 /nfs/dbraw/zinc/64/45/34/378644534.db2.gz MLUWOEXREUSDJG-UHFFFAOYSA-N 2 2 297.393 3.325 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)nc2)CC1 ZINC000637955695 378644537 /nfs/dbraw/zinc/64/45/37/378644537.db2.gz MLUWOEXREUSDJG-UHFFFAOYSA-N 2 2 297.393 3.325 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000346616956 378648132 /nfs/dbraw/zinc/64/81/32/378648132.db2.gz XEHQTNQRLBYGEL-ZOBUZTSGSA-N 2 2 290.451 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000348039372 378760877 /nfs/dbraw/zinc/76/08/77/378760877.db2.gz LSNFFGLAVUPHLI-HNNXBMFYSA-N 2 2 284.403 3.249 20 0 CGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)c(F)c1 ZINC000348098054 378790870 /nfs/dbraw/zinc/79/08/70/378790870.db2.gz RJXKTGXPAFLPEL-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP CO[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000638421763 378796395 /nfs/dbraw/zinc/79/63/95/378796395.db2.gz WSFFMZJQEAJVHL-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000346791196 218013581 /nfs/dbraw/zinc/01/35/81/218013581.db2.gz HTCZEJMZLSVGBA-IUODEOHRSA-N 2 2 274.383 3.030 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000346791196 218013582 /nfs/dbraw/zinc/01/35/82/218013582.db2.gz HTCZEJMZLSVGBA-IUODEOHRSA-N 2 2 274.383 3.030 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(OC(F)F)c1 ZINC000346807820 218020210 /nfs/dbraw/zinc/02/02/10/218020210.db2.gz MNIFUNYLRYIUEL-SLEUVZQESA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(OC(F)F)c1 ZINC000346807820 218020212 /nfs/dbraw/zinc/02/02/12/218020212.db2.gz MNIFUNYLRYIUEL-SLEUVZQESA-N 2 2 298.377 3.421 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348219803 378845734 /nfs/dbraw/zinc/84/57/34/378845734.db2.gz DQMIXWBCGYTZIW-CYBMUJFWSA-N 2 2 281.469 3.073 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348219803 378845741 /nfs/dbraw/zinc/84/57/41/378845741.db2.gz DQMIXWBCGYTZIW-CYBMUJFWSA-N 2 2 281.469 3.073 20 0 CGADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638564375 378836745 /nfs/dbraw/zinc/83/67/45/378836745.db2.gz KICSHNPHILXBGI-INIZCTEOSA-N 2 2 260.425 3.236 20 0 CGADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638564375 378836749 /nfs/dbraw/zinc/83/67/49/378836749.db2.gz KICSHNPHILXBGI-INIZCTEOSA-N 2 2 260.425 3.236 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000347032316 218098467 /nfs/dbraw/zinc/09/84/67/218098467.db2.gz ZTSUNMRRFIJNNY-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000347032316 218098468 /nfs/dbraw/zinc/09/84/68/218098468.db2.gz ZTSUNMRRFIJNNY-CQSZACIVSA-N 2 2 298.377 3.089 20 0 CGADLP CCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CC[NH2+]CC1 ZINC000347059464 218107387 /nfs/dbraw/zinc/10/73/87/218107387.db2.gz XDABBEXQZWXXMM-UHFFFAOYSA-N 2 2 298.434 3.041 20 0 CGADLP CCC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CC[NH2+]CC1 ZINC000347059464 218107388 /nfs/dbraw/zinc/10/73/88/218107388.db2.gz XDABBEXQZWXXMM-UHFFFAOYSA-N 2 2 298.434 3.041 20 0 CGADLP CCC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000347059464 218107391 /nfs/dbraw/zinc/10/73/91/218107391.db2.gz XDABBEXQZWXXMM-UHFFFAOYSA-N 2 2 298.434 3.041 20 0 CGADLP CCC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000347059464 218107393 /nfs/dbraw/zinc/10/73/93/218107393.db2.gz XDABBEXQZWXXMM-UHFFFAOYSA-N 2 2 298.434 3.041 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000347107570 218124256 /nfs/dbraw/zinc/12/42/56/218124256.db2.gz OEQGAXBGPPYQIA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000347107570 218124258 /nfs/dbraw/zinc/12/42/58/218124258.db2.gz OEQGAXBGPPYQIA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP CCC[N@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CC[NH2+]C1 ZINC000347067490 218112566 /nfs/dbraw/zinc/11/25/66/218112566.db2.gz MVLUTMNDHZIIEM-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CC[NH2+]C1 ZINC000347067490 218112567 /nfs/dbraw/zinc/11/25/67/218112567.db2.gz MVLUTMNDHZIIEM-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000639070910 379000981 /nfs/dbraw/zinc/00/09/81/379000981.db2.gz FEECUVLENYAIQM-DZGCQCFKSA-N 2 2 261.413 3.004 20 0 CGADLP CCC[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370402413 379015128 /nfs/dbraw/zinc/01/51/28/379015128.db2.gz AMLGUTZVTWRJLN-SZMVWBNQSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370402413 379015133 /nfs/dbraw/zinc/01/51/33/379015133.db2.gz AMLGUTZVTWRJLN-SZMVWBNQSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370402413 379015136 /nfs/dbraw/zinc/01/51/36/379015136.db2.gz AMLGUTZVTWRJLN-SZMVWBNQSA-N 2 2 289.467 3.442 20 0 CGADLP CCC[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370402413 379015140 /nfs/dbraw/zinc/01/51/40/379015140.db2.gz AMLGUTZVTWRJLN-SZMVWBNQSA-N 2 2 289.467 3.442 20 0 CGADLP CC(C)(C[NH2+]Cc1nc2ccccc2o1)C[NH+]1CCCC1 ZINC000639105603 379029721 /nfs/dbraw/zinc/02/97/21/379029721.db2.gz VFHRBSZJLCOWMI-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(c3ccccn3)CCC2)c[nH+]1 ZINC000348796019 379057580 /nfs/dbraw/zinc/05/75/80/379057580.db2.gz FLXHBYJAWLGOKY-UHFFFAOYSA-N 2 2 295.430 3.429 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1csc3ccccc13)C2 ZINC000370730002 379062633 /nfs/dbraw/zinc/06/26/33/379062633.db2.gz LNMNRNOMGQPMIT-GFCCVEGCSA-N 2 2 283.400 3.272 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000370730002 379062635 /nfs/dbraw/zinc/06/26/35/379062635.db2.gz LNMNRNOMGQPMIT-GFCCVEGCSA-N 2 2 283.400 3.272 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]3C3CCC3)[nH+]c2)c[nH+]1 ZINC000348829832 379067557 /nfs/dbraw/zinc/06/75/57/379067557.db2.gz AKZBOTSOFYAFEG-HOTGVXAUSA-N 2 2 282.391 3.317 20 0 CGADLP Cn1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2ccccc21 ZINC000639149888 379072353 /nfs/dbraw/zinc/07/23/53/379072353.db2.gz VWZIOXRHJOZELW-UHFFFAOYSA-N 2 2 294.402 3.001 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000277196624 379094741 /nfs/dbraw/zinc/09/47/41/379094741.db2.gz JCJDEXFQISAABT-ZIAGYGMSSA-N 2 2 279.453 3.003 20 0 CGADLP CC[C@@](C)(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC000639176266 379096519 /nfs/dbraw/zinc/09/65/19/379096519.db2.gz UDXNDJXQSCFRPK-KRWDZBQOSA-N 2 2 293.455 3.190 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000277324402 379132203 /nfs/dbraw/zinc/13/22/03/379132203.db2.gz CHGZUPJNWVIMCC-DZGCQCFKSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000277324402 379132214 /nfs/dbraw/zinc/13/22/14/379132214.db2.gz CHGZUPJNWVIMCC-DZGCQCFKSA-N 2 2 294.389 3.284 20 0 CGADLP CC[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153112 379171191 /nfs/dbraw/zinc/17/11/91/379171191.db2.gz RJQQUQXRJHTFGP-NVXWUHKLSA-N 2 2 283.419 3.403 20 0 CGADLP CC[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153112 379171198 /nfs/dbraw/zinc/17/11/98/379171198.db2.gz RJQQUQXRJHTFGP-NVXWUHKLSA-N 2 2 283.419 3.403 20 0 CGADLP CC[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153113 379174529 /nfs/dbraw/zinc/17/45/29/379174529.db2.gz RJQQUQXRJHTFGP-RDJZCZTQSA-N 2 2 283.419 3.403 20 0 CGADLP CC[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153113 379174532 /nfs/dbraw/zinc/17/45/32/379174532.db2.gz RJQQUQXRJHTFGP-RDJZCZTQSA-N 2 2 283.419 3.403 20 0 CGADLP COc1cccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1F ZINC000192662511 542266925 /nfs/dbraw/zinc/26/69/25/542266925.db2.gz QVWCWWXUTJLDLP-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277643040 379205948 /nfs/dbraw/zinc/20/59/48/379205948.db2.gz YNQIZAALYRKCEL-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277643040 379205950 /nfs/dbraw/zinc/20/59/50/379205950.db2.gz YNQIZAALYRKCEL-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CC(F)(F)C2)n1-c1ccccc1 ZINC000277679353 379216052 /nfs/dbraw/zinc/21/60/52/379216052.db2.gz PMRDWUWZUFGIME-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000349611031 379319448 /nfs/dbraw/zinc/31/94/48/379319448.db2.gz MIHLGYMUBLKKKX-OAHLLOKOSA-N 2 2 278.465 3.373 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000349611031 379319458 /nfs/dbraw/zinc/31/94/58/379319458.db2.gz MIHLGYMUBLKKKX-OAHLLOKOSA-N 2 2 278.465 3.373 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000639375674 379333221 /nfs/dbraw/zinc/33/32/21/379333221.db2.gz ZJIIAALLNRDDDY-UHFFFAOYSA-N 2 2 276.399 3.276 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000639378576 379337621 /nfs/dbraw/zinc/33/76/21/379337621.db2.gz IYIZMJZVXBYXDZ-UHFFFAOYSA-N 2 2 285.435 3.474 20 0 CGADLP CC1(F)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000639388434 379350807 /nfs/dbraw/zinc/35/08/07/379350807.db2.gz ASQDOMBFTWJVDK-UHFFFAOYSA-N 2 2 279.384 3.258 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639399309 379365389 /nfs/dbraw/zinc/36/53/89/379365389.db2.gz UIDOHQHGJKGERB-YATRRXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639399309 379365397 /nfs/dbraw/zinc/36/53/97/379365397.db2.gz UIDOHQHGJKGERB-YATRRXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349836704 379414819 /nfs/dbraw/zinc/41/48/19/379414819.db2.gz UCBSXHLLOQCIKX-OLZOCXBDSA-N 2 2 282.347 3.272 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@](C)(CO)c2ccccc2)c(C)[nH+]1 ZINC000639483737 379425506 /nfs/dbraw/zinc/42/55/06/379425506.db2.gz VGZPBMMIDFVAGP-SFHVURJKSA-N 2 2 284.403 3.004 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)[nH]1 ZINC000266751201 190278959 /nfs/dbraw/zinc/27/89/59/190278959.db2.gz NZHIXZYVEVLRIW-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000639584232 379491541 /nfs/dbraw/zinc/49/15/41/379491541.db2.gz QTQQGSUQYNLQCJ-UHFFFAOYSA-N 2 2 285.382 3.421 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000377755210 379735142 /nfs/dbraw/zinc/73/51/42/379735142.db2.gz CZZMAVAGFSDOBQ-HOCLYGCPSA-N 2 2 299.418 3.407 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000377755210 379735148 /nfs/dbraw/zinc/73/51/48/379735148.db2.gz CZZMAVAGFSDOBQ-HOCLYGCPSA-N 2 2 299.418 3.407 20 0 CGADLP Cc1cc[nH+]c(NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000347724336 218334828 /nfs/dbraw/zinc/33/48/28/218334828.db2.gz RZJNSXNSWFQTNY-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377788514 379741037 /nfs/dbraw/zinc/74/10/37/379741037.db2.gz WZRRWXBLOBMEBH-LBPRGKRZSA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377788514 379741046 /nfs/dbraw/zinc/74/10/46/379741046.db2.gz WZRRWXBLOBMEBH-LBPRGKRZSA-N 2 2 295.308 3.076 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000378344344 379807289 /nfs/dbraw/zinc/80/72/89/379807289.db2.gz ZXRVUMAMRCVHLE-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000281159916 379822392 /nfs/dbraw/zinc/82/23/92/379822392.db2.gz HCTXJOXMUTYYRT-IXDOHACOSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000281159916 379822397 /nfs/dbraw/zinc/82/23/97/379822397.db2.gz HCTXJOXMUTYYRT-IXDOHACOSA-N 2 2 287.451 3.100 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352685486 379909467 /nfs/dbraw/zinc/90/94/67/379909467.db2.gz UVGQYVLRVXOSKM-JKIFEVAISA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352685486 379909474 /nfs/dbraw/zinc/90/94/74/379909474.db2.gz UVGQYVLRVXOSKM-JKIFEVAISA-N 2 2 288.435 3.137 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1 ZINC000352693754 379911413 /nfs/dbraw/zinc/91/14/13/379911413.db2.gz MZWSLYZNLPIANF-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1 ZINC000352693754 379911419 /nfs/dbraw/zinc/91/14/19/379911419.db2.gz MZWSLYZNLPIANF-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000389431680 379899166 /nfs/dbraw/zinc/89/91/66/379899166.db2.gz YMQFMYUYVYMFET-CYBMUJFWSA-N 2 2 290.304 3.028 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000389431680 379899169 /nfs/dbraw/zinc/89/91/69/379899169.db2.gz YMQFMYUYVYMFET-CYBMUJFWSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000402353772 379964793 /nfs/dbraw/zinc/96/47/93/379964793.db2.gz ATUTXRNVFVDIBR-JKSUJKDBSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347864018 218380890 /nfs/dbraw/zinc/38/08/90/218380890.db2.gz XQPUSWPPURDYFM-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347864018 218380891 /nfs/dbraw/zinc/38/08/91/218380891.db2.gz XQPUSWPPURDYFM-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000352809015 379972836 /nfs/dbraw/zinc/97/28/36/379972836.db2.gz FFGGFNZCIAKEFZ-WDEREUQCSA-N 2 2 270.467 3.042 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000352809015 379972844 /nfs/dbraw/zinc/97/28/44/379972844.db2.gz FFGGFNZCIAKEFZ-WDEREUQCSA-N 2 2 270.467 3.042 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000282537345 379940528 /nfs/dbraw/zinc/94/05/28/379940528.db2.gz BLAZKWMVUWVADV-CHWSQXEVSA-N 2 2 277.799 3.146 20 0 CGADLP Cc1ccncc1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405988413 379986059 /nfs/dbraw/zinc/98/60/59/379986059.db2.gz HQUMNMLWUZDROZ-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405988413 379986066 /nfs/dbraw/zinc/98/60/66/379986066.db2.gz HQUMNMLWUZDROZ-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000641325161 379990892 /nfs/dbraw/zinc/99/08/92/379990892.db2.gz YUDGSYXEHBJLJJ-UHFFFAOYSA-N 2 2 284.407 3.486 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000347884767 218390733 /nfs/dbraw/zinc/39/07/33/218390733.db2.gz YHIHYZZIOSBTQN-UHFFFAOYSA-N 2 2 299.418 3.295 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)o1 ZINC000641708161 380053717 /nfs/dbraw/zinc/05/37/17/380053717.db2.gz PPHHJIINTFYLBC-ZDUSSCGKSA-N 2 2 282.453 3.213 20 0 CGADLP CSc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)o1 ZINC000641746671 380074789 /nfs/dbraw/zinc/07/47/89/380074789.db2.gz BZUADFVKLFHFNT-ZDUSSCGKSA-N 2 2 282.453 3.356 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000286357362 380202126 /nfs/dbraw/zinc/20/21/26/380202126.db2.gz FUXQRLBIRQQRNB-HAXFYCRJSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000286357362 380202137 /nfs/dbraw/zinc/20/21/37/380202137.db2.gz FUXQRLBIRQQRNB-HAXFYCRJSA-N 2 2 292.373 3.193 20 0 CGADLP Cc1sccc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000353330095 380203574 /nfs/dbraw/zinc/20/35/74/380203574.db2.gz KNGSLOOWPHHZBE-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP CC(C)C[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000353945190 380248215 /nfs/dbraw/zinc/24/82/15/380248215.db2.gz OFVRCMNVAIWHBL-KRWDZBQOSA-N 2 2 271.408 3.303 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643066361 380211130 /nfs/dbraw/zinc/21/11/30/380211130.db2.gz NGYBNYBBTPSWLN-DOMZBBRYSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1ccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643066361 380211138 /nfs/dbraw/zinc/21/11/38/380211138.db2.gz NGYBNYBBTPSWLN-DOMZBBRYSA-N 2 2 296.867 3.116 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000353934154 380242333 /nfs/dbraw/zinc/24/23/33/380242333.db2.gz ROFSNWCWQFBLDU-UHFFFAOYSA-N 2 2 276.399 3.105 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC)cc1 ZINC000643501138 380323057 /nfs/dbraw/zinc/32/30/57/380323057.db2.gz WIXWMWZADDJMIL-RDJZCZTQSA-N 2 2 276.424 3.268 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC(F)F)cc1 ZINC000643505935 380326279 /nfs/dbraw/zinc/32/62/79/380326279.db2.gz FCVUUSKRURYIQS-AWEZNQCLSA-N 2 2 284.350 3.081 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643507103 380330511 /nfs/dbraw/zinc/33/05/11/380330511.db2.gz SGABOUYBRKREEZ-KRWDZBQOSA-N 2 2 288.435 3.365 20 0 CGADLP CC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000414513215 380288744 /nfs/dbraw/zinc/28/87/44/380288744.db2.gz FWMNUJUJLQKLIB-LLVKDONJSA-N 2 2 285.313 3.403 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000643369579 380298147 /nfs/dbraw/zinc/29/81/47/380298147.db2.gz KZCIRCYBYFOBMM-BZSNNMDCSA-N 2 2 281.403 3.324 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000643369579 380298156 /nfs/dbraw/zinc/29/81/56/380298156.db2.gz KZCIRCYBYFOBMM-BZSNNMDCSA-N 2 2 281.403 3.324 20 0 CGADLP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000643459870 380311801 /nfs/dbraw/zinc/31/18/01/380311801.db2.gz VDXHBDHPYZFADG-PBHICJAKSA-N 2 2 297.402 3.104 20 0 CGADLP COc1ccc([C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000414672645 380363928 /nfs/dbraw/zinc/36/39/28/380363928.db2.gz BBUWIQNJRQITKJ-UKRRQHHQSA-N 2 2 264.413 3.061 20 0 CGADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000414672645 380363930 /nfs/dbraw/zinc/36/39/30/380363930.db2.gz BBUWIQNJRQITKJ-UKRRQHHQSA-N 2 2 264.413 3.061 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000414685274 380372981 /nfs/dbraw/zinc/37/29/81/380372981.db2.gz YTOSTCLYCOBXML-DGCLKSJQSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000414685274 380372985 /nfs/dbraw/zinc/37/29/85/380372985.db2.gz YTOSTCLYCOBXML-DGCLKSJQSA-N 2 2 270.367 3.331 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414771909 380396926 /nfs/dbraw/zinc/39/69/26/380396926.db2.gz QGAQLNVDENSQAC-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414771909 380396928 /nfs/dbraw/zinc/39/69/28/380396928.db2.gz QGAQLNVDENSQAC-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000643528065 380344787 /nfs/dbraw/zinc/34/47/87/380344787.db2.gz YMIHLTGIIJNMQD-DTWKUNHWSA-N 2 2 252.745 3.084 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354164755 380349762 /nfs/dbraw/zinc/34/97/62/380349762.db2.gz BYQUICPLBALSOD-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354164755 380349769 /nfs/dbraw/zinc/34/97/69/380349769.db2.gz BYQUICPLBALSOD-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354164755 380349774 /nfs/dbraw/zinc/34/97/74/380349774.db2.gz BYQUICPLBALSOD-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354164755 380349778 /nfs/dbraw/zinc/34/97/78/380349778.db2.gz BYQUICPLBALSOD-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCCC2)o1 ZINC000643537865 380355543 /nfs/dbraw/zinc/35/55/43/380355543.db2.gz SMBAUXVTNBRIGK-OFQRWUPVSA-N 2 2 280.387 3.109 20 0 CGADLP Cc1ccsc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354187888 380358386 /nfs/dbraw/zinc/35/83/86/380358386.db2.gz IMSCZAOPVJRGJU-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(F)c1F ZINC000643547237 380361257 /nfs/dbraw/zinc/36/12/57/380361257.db2.gz BSDXTJPFAVMLME-VXGBXAGGSA-N 2 2 280.362 3.290 20 0 CGADLP CCCCc1oc2ccccc2c1C[NH2+]CC[NH2+]C ZINC000414818103 380429690 /nfs/dbraw/zinc/42/96/90/380429690.db2.gz CSEHHJPTITYSFQ-UHFFFAOYSA-N 2 2 260.381 3.084 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000414824936 380434025 /nfs/dbraw/zinc/43/40/25/380434025.db2.gz BMFUGWXLIAJVCK-RVKKMQEKSA-N 2 2 268.404 3.468 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414828586 380437215 /nfs/dbraw/zinc/43/72/15/380437215.db2.gz IYLLAYRDFVWVJZ-SFHVURJKSA-N 2 2 284.403 3.263 20 0 CGADLP [NH3+][C@@H](C[NH2+]CCCCOc1ccccc1)c1ccccc1 ZINC000414832282 380439521 /nfs/dbraw/zinc/43/95/21/380439521.db2.gz OICTYTCVAQCJMM-SFHVURJKSA-N 2 2 284.403 3.135 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000414831606 380440273 /nfs/dbraw/zinc/44/02/73/380440273.db2.gz NHBSUDWJOCWVNT-OAHLLOKOSA-N 2 2 292.329 3.078 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000354472023 380451482 /nfs/dbraw/zinc/45/14/82/380451482.db2.gz WVOOQXDJXGYFGE-DOTOQJQBSA-N 2 2 276.424 3.116 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+]C[C@H]([NH3+])C(C)C)s2)cc1 ZINC000414794294 380409414 /nfs/dbraw/zinc/40/94/14/380409414.db2.gz LTOGNLBQUWTVEZ-HNNXBMFYSA-N 2 2 289.448 3.191 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)ccc1F ZINC000414801494 380414762 /nfs/dbraw/zinc/41/47/62/380414762.db2.gz AFYIAYZDZRVHRO-UHFFFAOYSA-N 2 2 258.768 3.086 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1Br ZINC000414809548 380422048 /nfs/dbraw/zinc/42/20/48/380422048.db2.gz GVVGRYIHTXRWKB-LBPRGKRZSA-N 2 2 285.229 3.056 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c[nH+]1 ZINC000354588414 380495417 /nfs/dbraw/zinc/49/54/17/380495417.db2.gz WNQNBAOGKNQVGL-IAGOWNOFSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c[nH+]1 ZINC000354588414 380495423 /nfs/dbraw/zinc/49/54/23/380495423.db2.gz WNQNBAOGKNQVGL-IAGOWNOFSA-N 2 2 290.451 3.052 20 0 CGADLP COCC1(C)CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000354651053 380514889 /nfs/dbraw/zinc/51/48/89/380514889.db2.gz QCLYADDCYGVJGL-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000354525738 380471798 /nfs/dbraw/zinc/47/17/98/380471798.db2.gz KWBPCAFGOJPFOH-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000354525738 380471807 /nfs/dbraw/zinc/47/18/07/380471807.db2.gz KWBPCAFGOJPFOH-KRWDZBQOSA-N 2 2 258.409 3.445 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000354834964 380559402 /nfs/dbraw/zinc/55/94/02/380559402.db2.gz WLWRAWOMJNRAAM-CHWSQXEVSA-N 2 2 273.355 3.030 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000417344230 380599375 /nfs/dbraw/zinc/59/93/75/380599375.db2.gz VQHBFSFYGIMOLW-PVAVHDDUSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000417344230 380599381 /nfs/dbraw/zinc/59/93/81/380599381.db2.gz VQHBFSFYGIMOLW-PVAVHDDUSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000645176186 380604584 /nfs/dbraw/zinc/60/45/84/380604584.db2.gz OZOPZRNEVWCBGR-MRXNPFEDSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417357557 380607772 /nfs/dbraw/zinc/60/77/72/380607772.db2.gz RSFFVCGVUMNZEK-ZFWWWQNUSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@H]3c3[nH]cc[nH+]3)c2c1C ZINC000645185314 380609432 /nfs/dbraw/zinc/60/94/32/380609432.db2.gz NZBOOHXDFUPEQZ-LBPRGKRZSA-N 2 2 296.378 3.029 20 0 CGADLP C[C@@H](F)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197378 380612290 /nfs/dbraw/zinc/61/22/90/380612290.db2.gz QEFHURBQZGCBLW-ZBFHGGJFSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@@H](F)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000645197378 380612293 /nfs/dbraw/zinc/61/22/93/380612293.db2.gz QEFHURBQZGCBLW-ZBFHGGJFSA-N 2 2 278.415 3.377 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000645388640 380666288 /nfs/dbraw/zinc/66/62/88/380666288.db2.gz ZFCPXIXNOPNTQP-HOCLYGCPSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[NH+](C)C ZINC000645406584 380674052 /nfs/dbraw/zinc/67/40/52/380674052.db2.gz ALKHEKUOTKMJEL-MLGOLLRUSA-N 2 2 280.843 3.201 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355481615 380683006 /nfs/dbraw/zinc/68/30/06/380683006.db2.gz DPKYPVOHKNVNBX-PJSAGSTRSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000355481615 380683012 /nfs/dbraw/zinc/68/30/12/380683012.db2.gz DPKYPVOHKNVNBX-PJSAGSTRSA-N 2 2 288.410 3.275 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000279186576 194323682 /nfs/dbraw/zinc/32/36/82/194323682.db2.gz CEZVUIWFUDYCAU-CQSZACIVSA-N 2 2 282.378 3.398 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000279186576 194323684 /nfs/dbraw/zinc/32/36/84/194323684.db2.gz CEZVUIWFUDYCAU-CQSZACIVSA-N 2 2 282.378 3.398 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186576 194323687 /nfs/dbraw/zinc/32/36/87/194323687.db2.gz CEZVUIWFUDYCAU-CQSZACIVSA-N 2 2 282.378 3.398 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186576 194323689 /nfs/dbraw/zinc/32/36/89/194323689.db2.gz CEZVUIWFUDYCAU-CQSZACIVSA-N 2 2 282.378 3.398 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000356172586 380792328 /nfs/dbraw/zinc/79/23/28/380792328.db2.gz WDLOEKCKBWJPOU-KGLIPLIRSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000356172586 380792336 /nfs/dbraw/zinc/79/23/36/380792336.db2.gz WDLOEKCKBWJPOU-KGLIPLIRSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccnc1 ZINC000356683480 380822474 /nfs/dbraw/zinc/82/24/74/380822474.db2.gz UFFKEFFORJNWEB-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP c1cn(C2CC[NH+](CCCCOc3ccccc3)CC2)c[nH+]1 ZINC000357700561 381256475 /nfs/dbraw/zinc/25/64/75/381256475.db2.gz OAEZNWTXCQRLKT-UHFFFAOYSA-N 2 2 299.418 3.379 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358395876 381308381 /nfs/dbraw/zinc/30/83/81/381308381.db2.gz ISYFWGHDQMHCCS-DVOMOZLQSA-N 2 2 278.465 3.399 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358395876 381308386 /nfs/dbraw/zinc/30/83/86/381308386.db2.gz ISYFWGHDQMHCCS-DVOMOZLQSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1c[nH+]ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000359575804 381353394 /nfs/dbraw/zinc/35/33/94/381353394.db2.gz BZODDRRNPAQNBG-UHFFFAOYSA-N 2 2 284.407 3.283 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3[C@H]4C=CC[C@@H]3CC4)cc2)c[nH+]1 ZINC000359864953 381377392 /nfs/dbraw/zinc/37/73/92/381377392.db2.gz CLZZYADVWXROJH-DLBZAZTESA-N 2 2 265.360 3.165 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3[C@H]4C=CC[C@@H]3CC4)cc2)c[nH+]1 ZINC000359864953 381377402 /nfs/dbraw/zinc/37/74/02/381377402.db2.gz CLZZYADVWXROJH-DLBZAZTESA-N 2 2 265.360 3.165 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC)c1 ZINC000359944933 381383206 /nfs/dbraw/zinc/38/32/06/381383206.db2.gz VUCFCCZDQUQPSU-KSZLIROESA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC)c1 ZINC000359944933 381383210 /nfs/dbraw/zinc/38/32/10/381383210.db2.gz VUCFCCZDQUQPSU-KSZLIROESA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000359948722 381383370 /nfs/dbraw/zinc/38/33/70/381383370.db2.gz CVNHNAKPMFOLFE-GRDNDAEWSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000359948722 381383374 /nfs/dbraw/zinc/38/33/74/381383374.db2.gz CVNHNAKPMFOLFE-GRDNDAEWSA-N 2 2 276.424 3.075 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000360039846 381421713 /nfs/dbraw/zinc/42/17/13/381421713.db2.gz ROSALIDMDBANQR-BBRMVZONSA-N 2 2 273.380 3.021 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000360039852 381421850 /nfs/dbraw/zinc/42/18/50/381421850.db2.gz ROSALIDMDBANQR-XJKSGUPXSA-N 2 2 273.380 3.021 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000228584675 542298440 /nfs/dbraw/zinc/29/84/40/542298440.db2.gz YSKXFNCOCQJRGG-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000228584675 542298444 /nfs/dbraw/zinc/29/84/44/542298444.db2.gz YSKXFNCOCQJRGG-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000232690049 542306267 /nfs/dbraw/zinc/30/62/67/542306267.db2.gz HUVLOKCKPRESQM-HOCLYGCPSA-N 2 2 276.424 3.267 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000232729151 542306492 /nfs/dbraw/zinc/30/64/92/542306492.db2.gz JANXOYVYILCSGX-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232729151 542306495 /nfs/dbraw/zinc/30/64/95/542306495.db2.gz JANXOYVYILCSGX-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000366888303 382323632 /nfs/dbraw/zinc/32/36/32/382323632.db2.gz USCNDQLXOMYMSL-NVXWUHKLSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000366888303 382323638 /nfs/dbraw/zinc/32/36/38/382323638.db2.gz USCNDQLXOMYMSL-NVXWUHKLSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252714669 542351075 /nfs/dbraw/zinc/35/10/75/542351075.db2.gz SODXUOGXISCIKS-HOSILWTGSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252714669 542351076 /nfs/dbraw/zinc/35/10/76/542351076.db2.gz SODXUOGXISCIKS-HOSILWTGSA-N 2 2 250.430 3.170 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000163290102 285030492 /nfs/dbraw/zinc/03/04/92/285030492.db2.gz YAJHBHIYFZLXSM-UKRRQHHQSA-N 2 2 296.480 3.126 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000163290102 285030494 /nfs/dbraw/zinc/03/04/94/285030494.db2.gz YAJHBHIYFZLXSM-UKRRQHHQSA-N 2 2 296.480 3.126 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000335282445 208094523 /nfs/dbraw/zinc/09/45/23/208094523.db2.gz YUACQXCGUUNJKY-CMPLNLGQSA-N 2 2 293.773 3.341 20 0 CGADLP COCc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289321813 197296617 /nfs/dbraw/zinc/29/66/17/197296617.db2.gz TVPJQBBNJNMYQE-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000289253294 197275717 /nfs/dbraw/zinc/27/57/17/197275717.db2.gz BOONBVHZAORREQ-UHFFFAOYSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000289253294 197275718 /nfs/dbraw/zinc/27/57/18/197275718.db2.gz BOONBVHZAORREQ-UHFFFAOYSA-N 2 2 287.382 3.014 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000289059189 197224196 /nfs/dbraw/zinc/22/41/96/197224196.db2.gz AKNCJGUEXJMHTL-IBGZPJMESA-N 2 2 298.430 3.210 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288440270 197078617 /nfs/dbraw/zinc/07/86/17/197078617.db2.gz LUXOQUHAGPEJDR-HNAYVOBHSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000288440270 197078619 /nfs/dbraw/zinc/07/86/19/197078619.db2.gz LUXOQUHAGPEJDR-HNAYVOBHSA-N 2 2 296.414 3.145 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000323706800 542441662 /nfs/dbraw/zinc/44/16/62/542441662.db2.gz JUTDJDAXDFUTQN-INIZCTEOSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348421152 542520126 /nfs/dbraw/zinc/52/01/26/542520126.db2.gz UOQGQGUPULODNE-MDASCCDHSA-N 2 2 299.462 3.385 20 0 CGADLP COC[C@]1(C[NH2+][C@H](CCC(C)C)c2ccoc2)CCC[NH2+]1 ZINC000423415709 533237740 /nfs/dbraw/zinc/23/77/40/533237740.db2.gz PGKACQMZRTYZQH-IAGOWNOFSA-N 2 2 294.439 3.115 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423233657 533358922 /nfs/dbraw/zinc/35/89/22/533358922.db2.gz KIGLRVCMZCZDLG-CHWSQXEVSA-N 2 2 288.391 3.152 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423532712 533412412 /nfs/dbraw/zinc/41/24/12/533412412.db2.gz ROTYVIKPMYWWFX-CZUORRHYSA-N 2 2 276.424 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249057 533527872 /nfs/dbraw/zinc/52/78/72/533527872.db2.gz JEDDEERUNLPMPE-IIDMSEBBSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249057 533527875 /nfs/dbraw/zinc/52/78/75/533527875.db2.gz JEDDEERUNLPMPE-IIDMSEBBSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000423442193 533514757 /nfs/dbraw/zinc/51/47/57/533514757.db2.gz JPMGCQNLPRJBEQ-AHIWAGSCSA-N 2 2 272.367 3.240 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1F ZINC000423525578 533537046 /nfs/dbraw/zinc/53/70/46/533537046.db2.gz KLSZAFMSASEABX-MEBBXXQBSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249060 533547449 /nfs/dbraw/zinc/54/74/49/533547449.db2.gz JEDDEERUNLPMPE-RKVPGOIHSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCC1 ZINC000358249060 533547450 /nfs/dbraw/zinc/54/74/50/533547450.db2.gz JEDDEERUNLPMPE-RKVPGOIHSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449109670 533572276 /nfs/dbraw/zinc/57/22/76/533572276.db2.gz XHLNTIAEDAFIPB-CABZTGNLSA-N 2 2 286.341 3.021 20 0 CGADLP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1Cl ZINC000358142309 533663959 /nfs/dbraw/zinc/66/39/59/533663959.db2.gz QTRFIHVBPGCCFK-UHFFFAOYSA-N 2 2 294.826 3.090 20 0 CGADLP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1Cl ZINC000358142309 533663961 /nfs/dbraw/zinc/66/39/61/533663961.db2.gz QTRFIHVBPGCCFK-UHFFFAOYSA-N 2 2 294.826 3.090 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000380440178 542595139 /nfs/dbraw/zinc/59/51/39/542595139.db2.gz LVDVBFYFHXPNRQ-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000380440178 542595141 /nfs/dbraw/zinc/59/51/41/542595141.db2.gz LVDVBFYFHXPNRQ-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000386255611 542603502 /nfs/dbraw/zinc/60/35/02/542603502.db2.gz UCZRKGTUROHDOX-UKRRQHHQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000386255611 542603506 /nfs/dbraw/zinc/60/35/06/542603506.db2.gz UCZRKGTUROHDOX-UKRRQHHQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190485172 130111140 /nfs/dbraw/zinc/11/11/40/130111140.db2.gz DKFZGEDFRLGXEH-AWEZNQCLSA-N 2 2 287.432 3.057 20 0 CGADLP C[C@@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190485172 130111144 /nfs/dbraw/zinc/11/11/44/130111144.db2.gz DKFZGEDFRLGXEH-AWEZNQCLSA-N 2 2 287.432 3.057 20 0 CGADLP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000414847039 542639814 /nfs/dbraw/zinc/63/98/14/542639814.db2.gz NXHQLDNYCPRWNJ-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081557860 392223303 /nfs/dbraw/zinc/22/33/03/392223303.db2.gz XQSUVEBSOBUTAA-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357211 392321265 /nfs/dbraw/zinc/32/12/65/392321265.db2.gz QBUAVSVQWNXFLL-KRWDZBQOSA-N 2 2 297.402 3.412 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000107698335 392326733 /nfs/dbraw/zinc/32/67/33/392326733.db2.gz HBRLZQXCAGBDPS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000107698335 392326739 /nfs/dbraw/zinc/32/67/39/392326739.db2.gz HBRLZQXCAGBDPS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000285824905 392335706 /nfs/dbraw/zinc/33/57/06/392335706.db2.gz WPFVCECJXKFJJA-JKSUJKDBSA-N 2 2 275.440 3.305 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000285824905 392335709 /nfs/dbraw/zinc/33/57/09/392335709.db2.gz WPFVCECJXKFJJA-JKSUJKDBSA-N 2 2 275.440 3.305 20 0 CGADLP CC[C@]1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000361848524 392343975 /nfs/dbraw/zinc/34/39/75/392343975.db2.gz JIDIEZFYBVVLFH-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@]1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000361848524 392343979 /nfs/dbraw/zinc/34/39/79/392343979.db2.gz JIDIEZFYBVVLFH-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCOC3CCCCCC3)CC2)[nH+]1 ZINC000434982253 542656669 /nfs/dbraw/zinc/65/66/69/542656669.db2.gz KQGIFDMBJCDJDU-UHFFFAOYSA-N 2 2 291.439 3.329 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434776956 542656924 /nfs/dbraw/zinc/65/69/24/542656924.db2.gz OOAHFZNBEYXANJ-HNNXBMFYSA-N 2 2 287.451 3.387 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361931913 392368204 /nfs/dbraw/zinc/36/82/04/392368204.db2.gz ZBVPDEMJMPFZJI-INIZCTEOSA-N 2 2 285.366 3.300 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367080836 392469439 /nfs/dbraw/zinc/46/94/39/392469439.db2.gz OKWNKFCNRRJGRZ-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654767 392486033 /nfs/dbraw/zinc/48/60/33/392486033.db2.gz NZEGNLMUXPHPND-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000152004066 392491380 /nfs/dbraw/zinc/49/13/80/392491380.db2.gz OAKKJEHPMXCIIT-QAPCUYQASA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cncs1 ZINC000152101658 392497018 /nfs/dbraw/zinc/49/70/18/392497018.db2.gz COYIQCRESXKBAL-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152220664 392499772 /nfs/dbraw/zinc/49/97/72/392499772.db2.gz KYRZWMADWWIGHD-UONOGXRCSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1cccc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000302242904 392615433 /nfs/dbraw/zinc/61/54/33/392615433.db2.gz POFXJISGUWUIID-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000302242904 392615438 /nfs/dbraw/zinc/61/54/38/392615438.db2.gz POFXJISGUWUIID-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000162432324 392595718 /nfs/dbraw/zinc/59/57/18/392595718.db2.gz ZAQKKWHGKRCYRE-CQSZACIVSA-N 2 2 294.414 3.361 20 0 CGADLP Cc1cccc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302242366 392613455 /nfs/dbraw/zinc/61/34/55/392613455.db2.gz PAHQOCPTSFISQX-VNHYZAJKSA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302242366 392613458 /nfs/dbraw/zinc/61/34/58/392613458.db2.gz PAHQOCPTSFISQX-VNHYZAJKSA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000302240333 392613518 /nfs/dbraw/zinc/61/35/18/392613518.db2.gz NBHZXRQWMLQGML-HNNXBMFYSA-N 2 2 281.403 3.249 20 0 CGADLP Cc1cccc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000302240333 392613520 /nfs/dbraw/zinc/61/35/20/392613520.db2.gz NBHZXRQWMLQGML-HNNXBMFYSA-N 2 2 281.403 3.249 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592186 392681962 /nfs/dbraw/zinc/68/19/62/392681962.db2.gz GFTTZLXHZPBXHF-CRAIPNDOSA-N 2 2 299.418 3.365 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592186 392681970 /nfs/dbraw/zinc/68/19/70/392681970.db2.gz GFTTZLXHZPBXHF-CRAIPNDOSA-N 2 2 299.418 3.365 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310929921 392660247 /nfs/dbraw/zinc/66/02/47/392660247.db2.gz DXPXWLLAIJXOGP-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310929921 392660249 /nfs/dbraw/zinc/66/02/49/392660249.db2.gz DXPXWLLAIJXOGP-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(C2CC2)c1 ZINC000647554095 392767484 /nfs/dbraw/zinc/76/74/84/392767484.db2.gz QSXNVVCPVRMDAQ-QGZVFWFLSA-N 2 2 270.420 3.328 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554087 392767527 /nfs/dbraw/zinc/76/75/27/392767527.db2.gz QOTAVVHGEZVACE-MJSXRHKHSA-N 2 2 274.383 3.103 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553905 392767695 /nfs/dbraw/zinc/76/76/95/392767695.db2.gz MUDPQEAYRHFFOF-KRWDZBQOSA-N 2 2 288.435 3.238 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC000647533224 392753618 /nfs/dbraw/zinc/75/36/18/392753618.db2.gz NJZCBKBRWKOUHX-KDOFPFPSSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc12 ZINC000647533224 392753625 /nfs/dbraw/zinc/75/36/25/392753625.db2.gz NJZCBKBRWKOUHX-KDOFPFPSSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@@H]3C3CCC3)cn21 ZINC000647364045 392708844 /nfs/dbraw/zinc/70/88/44/392708844.db2.gz QUVIHOIKPHSUNH-SJORKVTESA-N 2 2 283.419 3.354 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000188125320 392798060 /nfs/dbraw/zinc/79/80/60/392798060.db2.gz LVFGRYXUJXQFQY-NUTKFTJISA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000188125320 392798065 /nfs/dbraw/zinc/79/80/65/392798065.db2.gz LVFGRYXUJXQFQY-NUTKFTJISA-N 2 2 276.399 3.492 20 0 CGADLP CC(C)c1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000647844046 392810643 /nfs/dbraw/zinc/81/06/43/392810643.db2.gz OMLNPHMVCGSKQZ-HIFRSBDPSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[NH+](C)C ZINC000510733279 392811175 /nfs/dbraw/zinc/81/11/75/392811175.db2.gz KCYPZOSIARCLSS-ARFHVFGLSA-N 2 2 272.452 3.471 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ncc[nH]1 ZINC000375844107 392831650 /nfs/dbraw/zinc/83/16/50/392831650.db2.gz ZREGTSXCGWJHLP-CABCVRRESA-N 2 2 298.434 3.286 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000337559361 392889444 /nfs/dbraw/zinc/88/94/44/392889444.db2.gz UEPLAKVIHGRXJK-SGMGOOAPSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000337559361 392889455 /nfs/dbraw/zinc/88/94/55/392889455.db2.gz UEPLAKVIHGRXJK-SGMGOOAPSA-N 2 2 264.438 3.009 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)cc1)CCC2 ZINC000377833288 392889642 /nfs/dbraw/zinc/88/96/42/392889642.db2.gz YCZJMBWUVNHVQA-INIZCTEOSA-N 2 2 269.392 3.167 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C[N@@H+]1C1CC1 ZINC000337991054 392895601 /nfs/dbraw/zinc/89/56/01/392895601.db2.gz VWDBXIBRCZORKA-ORIJERBGSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C[N@H+]1C1CC1 ZINC000337991054 392895606 /nfs/dbraw/zinc/89/56/06/392895606.db2.gz VWDBXIBRCZORKA-ORIJERBGSA-N 2 2 268.420 3.120 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[N@@H+]1C ZINC000338169348 392900363 /nfs/dbraw/zinc/90/03/63/392900363.db2.gz LXWOOLMDSXWRBG-HFAKWTLXSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)CC[N@H+]1C ZINC000338169348 392900369 /nfs/dbraw/zinc/90/03/69/392900369.db2.gz LXWOOLMDSXWRBG-HFAKWTLXSA-N 2 2 280.362 3.024 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572302 392903659 /nfs/dbraw/zinc/90/36/59/392903659.db2.gz UMWDTWOUHONQAW-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572302 392903661 /nfs/dbraw/zinc/90/36/61/392903661.db2.gz UMWDTWOUHONQAW-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572302 392903666 /nfs/dbraw/zinc/90/36/66/392903666.db2.gz UMWDTWOUHONQAW-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572302 392903671 /nfs/dbraw/zinc/90/36/71/392903671.db2.gz UMWDTWOUHONQAW-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381608941 392910955 /nfs/dbraw/zinc/91/09/55/392910955.db2.gz IBNYZMUKPZNGRU-VMAZRHSESA-N 2 2 264.457 3.275 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381608941 392910959 /nfs/dbraw/zinc/91/09/59/392910959.db2.gz IBNYZMUKPZNGRU-VMAZRHSESA-N 2 2 264.457 3.275 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000336278807 392846110 /nfs/dbraw/zinc/84/61/10/392846110.db2.gz COCGHLTWAJTXGE-IRXDYDNUSA-N 2 2 288.410 3.242 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000336278807 392846114 /nfs/dbraw/zinc/84/61/14/392846114.db2.gz COCGHLTWAJTXGE-IRXDYDNUSA-N 2 2 288.410 3.242 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000512661974 392852517 /nfs/dbraw/zinc/85/25/17/392852517.db2.gz VFGFJYJARQFJGB-LJIZCISZSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000512661974 392852523 /nfs/dbraw/zinc/85/25/23/392852523.db2.gz VFGFJYJARQFJGB-LJIZCISZSA-N 2 2 252.446 3.129 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000376042549 392857860 /nfs/dbraw/zinc/85/78/60/392857860.db2.gz FADCZHWEXBDOBT-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000376042549 392857864 /nfs/dbraw/zinc/85/78/64/392857864.db2.gz FADCZHWEXBDOBT-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(C)[nH+]1 ZINC000193094867 392869789 /nfs/dbraw/zinc/86/97/89/392869789.db2.gz FIXHJTUCHQONQI-KRWDZBQOSA-N 2 2 296.418 3.342 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000518969186 392871937 /nfs/dbraw/zinc/87/19/37/392871937.db2.gz CZECOBWHYWMFEM-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000518969186 392871943 /nfs/dbraw/zinc/87/19/43/392871943.db2.gz CZECOBWHYWMFEM-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000381969382 392917344 /nfs/dbraw/zinc/91/73/44/392917344.db2.gz VMZYXXAZABPNSO-RDHHWEPZSA-N 2 2 275.440 3.468 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@H]1c1ccccc1 ZINC000338687553 392925436 /nfs/dbraw/zinc/92/54/36/392925436.db2.gz MIUZXMSIJPYOQF-IMJJTQAJSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513759877 542733232 /nfs/dbraw/zinc/73/32/32/542733232.db2.gz HLMXYBJDSQHOEB-QZTJIDSGSA-N 2 2 283.419 3.456 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)n1-c1ccccc1 ZINC000403213495 392957318 /nfs/dbraw/zinc/95/73/18/392957318.db2.gz IRXLQYRMWUARCV-HRCADAONSA-N 2 2 281.403 3.459 20 0 CGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)c(C)c1 ZINC000568447288 542760974 /nfs/dbraw/zinc/76/09/74/542760974.db2.gz MJUFQHKNBDPISM-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000195439799 392968057 /nfs/dbraw/zinc/96/80/57/392968057.db2.gz NGCRWSPEDCFBTB-GFCCVEGCSA-N 2 2 277.799 3.271 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2)C[C@H]1c1ccccc1 ZINC000340198280 392968206 /nfs/dbraw/zinc/96/82/06/392968206.db2.gz JPEBPQAPNXFWQQ-IRXDYDNUSA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)C[C@H]1c1ccccc1 ZINC000340198280 392968212 /nfs/dbraw/zinc/96/82/12/392968212.db2.gz JPEBPQAPNXFWQQ-IRXDYDNUSA-N 2 2 270.376 3.205 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000648366916 392984015 /nfs/dbraw/zinc/98/40/15/392984015.db2.gz LNWFVGPLOANGBP-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000648366916 392984020 /nfs/dbraw/zinc/98/40/20/392984020.db2.gz LNWFVGPLOANGBP-HNNXBMFYSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000341397285 392987160 /nfs/dbraw/zinc/98/71/60/392987160.db2.gz NTGIAWZNVFFQIQ-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000341397285 392987164 /nfs/dbraw/zinc/98/71/64/392987164.db2.gz NTGIAWZNVFFQIQ-GFJIZPEISA-N 2 2 292.389 3.427 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222015624 393008411 /nfs/dbraw/zinc/00/84/11/393008411.db2.gz SLPBKZWZGFTYKD-BBWFWOEESA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222015624 393008416 /nfs/dbraw/zinc/00/84/16/393008416.db2.gz SLPBKZWZGFTYKD-BBWFWOEESA-N 2 2 274.383 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473531 393033093 /nfs/dbraw/zinc/03/30/93/393033093.db2.gz KWCLIQYYZHZJDR-YMVOAIQMSA-N 2 2 296.817 3.265 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473531 393033097 /nfs/dbraw/zinc/03/30/97/393033097.db2.gz KWCLIQYYZHZJDR-YMVOAIQMSA-N 2 2 296.817 3.265 20 0 CGADLP C([C@H]1CCC[N@@H+]1CC12CCC(CC1)C2)[NH+]1CCCC1 ZINC000347755761 393108657 /nfs/dbraw/zinc/10/86/57/393108657.db2.gz XSBHSBVTHPVNCH-AQFXKWCLSA-N 2 2 262.441 3.127 20 0 CGADLP C([C@H]1CCC[N@H+]1CC12CCC(CC1)C2)[NH+]1CCCC1 ZINC000347755761 393108670 /nfs/dbraw/zinc/10/86/70/393108670.db2.gz XSBHSBVTHPVNCH-AQFXKWCLSA-N 2 2 262.441 3.127 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3ccccc3C2)CCC1 ZINC000648536269 393091164 /nfs/dbraw/zinc/09/11/64/393091164.db2.gz HAZJOPPLDKDXKL-QGZVFWFLSA-N 2 2 272.436 3.008 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346673284 393092241 /nfs/dbraw/zinc/09/22/41/393092241.db2.gz WKRMGZVGVGZZBH-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346673284 393092246 /nfs/dbraw/zinc/09/22/46/393092246.db2.gz WKRMGZVGVGZZBH-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1sccc1Cl)C1CCCC1 ZINC000415043574 393109364 /nfs/dbraw/zinc/10/93/64/393109364.db2.gz APYSETWXKYYVKC-LLVKDONJSA-N 2 2 258.818 3.009 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)[C@H](C)[NH3+] ZINC000415024758 393101151 /nfs/dbraw/zinc/10/11/51/393101151.db2.gz YZXZUBWAKMKJOE-QWHCGFSZSA-N 2 2 272.367 3.318 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546573641 393056528 /nfs/dbraw/zinc/05/65/28/393056528.db2.gz GNSUNWHNZGCPFK-DLBZAZTESA-N 2 2 272.436 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000546573641 393056534 /nfs/dbraw/zinc/05/65/34/393056534.db2.gz GNSUNWHNZGCPFK-DLBZAZTESA-N 2 2 272.436 3.420 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000414957568 393065827 /nfs/dbraw/zinc/06/58/27/393065827.db2.gz QDCYCOKLZYTISK-DNVCBOLYSA-N 2 2 280.415 3.267 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000546691846 393068249 /nfs/dbraw/zinc/06/82/49/393068249.db2.gz QEWMAOVVJRLWLQ-XUWVNRHRSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000546691846 393068251 /nfs/dbraw/zinc/06/82/51/393068251.db2.gz QEWMAOVVJRLWLQ-XUWVNRHRSA-N 2 2 252.446 3.131 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000648500350 393068339 /nfs/dbraw/zinc/06/83/39/393068339.db2.gz YOACFTOYYGBVOX-KRWDZBQOSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000415045867 393110856 /nfs/dbraw/zinc/11/08/56/393110856.db2.gz BWSSPRPGJWQNKD-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000415053712 393114647 /nfs/dbraw/zinc/11/46/47/393114647.db2.gz MRRYHJLCDZMLOM-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000415065237 393123809 /nfs/dbraw/zinc/12/38/09/393123809.db2.gz MMACAISYQJPJNT-SFHVURJKSA-N 2 2 295.430 3.007 20 0 CGADLP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(Cl)c1Cl ZINC000415073871 393129485 /nfs/dbraw/zinc/12/94/85/393129485.db2.gz YZSGCEHODXFHTB-UHFFFAOYSA-N 2 2 291.197 3.364 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000415123356 393151391 /nfs/dbraw/zinc/15/13/91/393151391.db2.gz ASZSHNLBGAENCB-UHFFFAOYSA-N 2 2 294.748 3.400 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC000415123356 393151398 /nfs/dbraw/zinc/15/13/98/393151398.db2.gz ASZSHNLBGAENCB-UHFFFAOYSA-N 2 2 294.748 3.400 20 0 CGADLP C[C@H](C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000415125181 393153298 /nfs/dbraw/zinc/15/32/98/393153298.db2.gz OBVMGYMUIPSHBF-MDASCCDHSA-N 2 2 298.405 3.356 20 0 CGADLP C[C@H](C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000415125181 393153305 /nfs/dbraw/zinc/15/33/05/393153305.db2.gz OBVMGYMUIPSHBF-MDASCCDHSA-N 2 2 298.405 3.356 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000267376293 393189275 /nfs/dbraw/zinc/18/92/75/393189275.db2.gz KQWMAWSESYLPGM-UHFFFAOYSA-N 2 2 296.296 3.138 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277085076 393304260 /nfs/dbraw/zinc/30/42/60/393304260.db2.gz FMKXSRWXWJIIOU-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277085076 393304263 /nfs/dbraw/zinc/30/42/63/393304263.db2.gz FMKXSRWXWJIIOU-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773272 393324049 /nfs/dbraw/zinc/32/40/49/393324049.db2.gz WTIBFKDQWZTHKI-WMZOPIPTSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773272 393324052 /nfs/dbraw/zinc/32/40/52/393324052.db2.gz WTIBFKDQWZTHKI-WMZOPIPTSA-N 2 2 283.419 3.460 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278886395 393327666 /nfs/dbraw/zinc/32/76/66/393327666.db2.gz YGXJCSLWITXVQK-FSPWUOQZSA-N 2 2 285.435 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278886395 393327672 /nfs/dbraw/zinc/32/76/72/393327672.db2.gz YGXJCSLWITXVQK-FSPWUOQZSA-N 2 2 285.435 3.006 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000274203830 393282037 /nfs/dbraw/zinc/28/20/37/393282037.db2.gz JADWASZGTWFGIH-HUUCEWRRSA-N 2 2 287.407 3.016 20 0 CGADLP CC(C)([NH3+])CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000649311527 393398864 /nfs/dbraw/zinc/39/88/64/393398864.db2.gz XDRGZLOJZLQBHN-UHFFFAOYSA-N 2 2 299.374 3.330 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647182312 393374335 /nfs/dbraw/zinc/37/43/35/393374335.db2.gz UYEZQBAFBMFZAB-ZDUSSCGKSA-N 2 2 260.372 3.028 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647182312 393374337 /nfs/dbraw/zinc/37/43/37/393374337.db2.gz UYEZQBAFBMFZAB-ZDUSSCGKSA-N 2 2 260.372 3.028 20 0 CGADLP Cc1ccccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262315 393420803 /nfs/dbraw/zinc/42/08/03/393420803.db2.gz SPWWIIOSEFEVBJ-UHFFFAOYSA-N 2 2 279.387 3.283 20 0 CGADLP CCc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000647262505 393421399 /nfs/dbraw/zinc/42/13/99/393421399.db2.gz BBIODXBRTPTSKF-UHFFFAOYSA-N 2 2 283.375 3.130 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cncc(F)c3)cn21 ZINC000647263195 393421412 /nfs/dbraw/zinc/42/14/12/393421412.db2.gz VSJDIBKBZUYHRU-CYBMUJFWSA-N 2 2 298.365 3.070 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000356350006 393424936 /nfs/dbraw/zinc/42/49/36/393424936.db2.gz XDOFTKJWZNGXLS-BPUTZDHNSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000356350006 393424939 /nfs/dbraw/zinc/42/49/39/393424939.db2.gz XDOFTKJWZNGXLS-BPUTZDHNSA-N 2 2 273.424 3.202 20 0 CGADLP CCCOc1cccc2c(N(C)C3CC[NH2+]CC3)cc[nH+]c12 ZINC000420134345 393430466 /nfs/dbraw/zinc/43/04/66/393430466.db2.gz DXSMSWGZFIMVNY-UHFFFAOYSA-N 2 2 299.418 3.212 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000356381663 393432187 /nfs/dbraw/zinc/43/21/87/393432187.db2.gz ALNDZMGABFHXDH-GFCCVEGCSA-N 2 2 284.494 3.386 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000356381663 393432188 /nfs/dbraw/zinc/43/21/88/393432188.db2.gz ALNDZMGABFHXDH-GFCCVEGCSA-N 2 2 284.494 3.386 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000356381664 393432195 /nfs/dbraw/zinc/43/21/95/393432195.db2.gz ALNDZMGABFHXDH-LBPRGKRZSA-N 2 2 284.494 3.386 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000356381664 393432196 /nfs/dbraw/zinc/43/21/96/393432196.db2.gz ALNDZMGABFHXDH-LBPRGKRZSA-N 2 2 284.494 3.386 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2ccc(C)cc21)[NH+]1CCCC1 ZINC000480784888 393436916 /nfs/dbraw/zinc/43/69/16/393436916.db2.gz FGKNTYQMJFVTPN-FUHWJXTLSA-N 2 2 272.436 3.446 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872007 393457291 /nfs/dbraw/zinc/45/72/91/393457291.db2.gz LOYPDEFIAMYOFT-DZGCQCFKSA-N 2 2 287.794 3.128 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356826 393472718 /nfs/dbraw/zinc/47/27/18/393472718.db2.gz GRMZJFNTVLTTDP-CYBMUJFWSA-N 2 2 293.436 3.175 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CCCCC1 ZINC000420368315 393476557 /nfs/dbraw/zinc/47/65/57/393476557.db2.gz NNVOYBLLTOPIKT-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP FC1(F)CC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000649401552 393411679 /nfs/dbraw/zinc/41/16/79/393411679.db2.gz AGGYLMAWDHDTKK-ZDUSSCGKSA-N 2 2 295.377 3.393 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CS1 ZINC000488422335 393507613 /nfs/dbraw/zinc/50/76/13/393507613.db2.gz OYKGCLMCAWITQA-DLBZAZTESA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CS1 ZINC000488422335 393507614 /nfs/dbraw/zinc/50/76/14/393507614.db2.gz OYKGCLMCAWITQA-DLBZAZTESA-N 2 2 292.492 3.238 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC(F)(F)C3)c[nH+]c12 ZINC000430036811 393513883 /nfs/dbraw/zinc/51/38/83/393513883.db2.gz GBPXIBAGVCLVKW-LBPRGKRZSA-N 2 2 279.334 3.168 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792344 393516431 /nfs/dbraw/zinc/51/64/31/393516431.db2.gz KJHPEDLPZKTQSO-AGIUHOORSA-N 2 2 293.480 3.155 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792344 393516435 /nfs/dbraw/zinc/51/64/35/393516435.db2.gz KJHPEDLPZKTQSO-AGIUHOORSA-N 2 2 293.480 3.155 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000358931928 393529666 /nfs/dbraw/zinc/52/96/66/393529666.db2.gz JNSMODWCCCZBOZ-MRXNPFEDSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@]1(c2cccc(F)c2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000649662780 393531642 /nfs/dbraw/zinc/53/16/42/393531642.db2.gz OWABYIFLCVXUTL-KRWDZBQOSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000649662780 393531649 /nfs/dbraw/zinc/53/16/49/393531649.db2.gz OWABYIFLCVXUTL-KRWDZBQOSA-N 2 2 287.382 3.076 20 0 CGADLP CCC(C)(C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931640 393547211 /nfs/dbraw/zinc/54/72/11/393547211.db2.gz GPBIEUNMIJYGAJ-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CCC(C)(C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931640 393547214 /nfs/dbraw/zinc/54/72/14/393547214.db2.gz GPBIEUNMIJYGAJ-UHFFFAOYSA-N 2 2 290.451 3.139 20 0 CGADLP CC1=C[C@H](C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000430282516 393558812 /nfs/dbraw/zinc/55/88/12/393558812.db2.gz FEUVHKCTGXULHT-AWEZNQCLSA-N 2 2 267.376 3.270 20 0 CGADLP CC1=C[C@H](C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000430282516 393558813 /nfs/dbraw/zinc/55/88/13/393558813.db2.gz FEUVHKCTGXULHT-AWEZNQCLSA-N 2 2 267.376 3.270 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000359963851 393557815 /nfs/dbraw/zinc/55/78/15/393557815.db2.gz NSLCODMNRWPTCS-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000359963851 393557821 /nfs/dbraw/zinc/55/78/21/393557821.db2.gz NSLCODMNRWPTCS-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430554923 393575043 /nfs/dbraw/zinc/57/50/43/393575043.db2.gz WKLRSLLUIUAFDD-KGLIPLIRSA-N 2 2 295.496 3.291 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430554923 393575049 /nfs/dbraw/zinc/57/50/49/393575049.db2.gz WKLRSLLUIUAFDD-KGLIPLIRSA-N 2 2 295.496 3.291 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430561682 393575120 /nfs/dbraw/zinc/57/51/20/393575120.db2.gz NSAMWEHCCTUINL-HNNXBMFYSA-N 2 2 293.436 3.175 20 0 CGADLP c1ccc(OC2CCCC2)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666768504 542814646 /nfs/dbraw/zinc/81/46/46/542814646.db2.gz HSJNRFALYAXWAG-MRXNPFEDSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649748103 393572332 /nfs/dbraw/zinc/57/23/32/393572332.db2.gz PAYJFYKIZIXBAX-LBPRGKRZSA-N 2 2 289.810 3.235 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]cn2C)CCc2ccc(Cl)cc21 ZINC000649748103 393572333 /nfs/dbraw/zinc/57/23/33/393572333.db2.gz PAYJFYKIZIXBAX-LBPRGKRZSA-N 2 2 289.810 3.235 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430573901 393578812 /nfs/dbraw/zinc/57/88/12/393578812.db2.gz ROPMTKGWPAPMGI-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430573901 393578817 /nfs/dbraw/zinc/57/88/17/393578817.db2.gz ROPMTKGWPAPMGI-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632341 393582896 /nfs/dbraw/zinc/58/28/96/393582896.db2.gz YDIWVHPAVIHLNZ-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632341 393582899 /nfs/dbraw/zinc/58/28/99/393582899.db2.gz YDIWVHPAVIHLNZ-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917211 393645876 /nfs/dbraw/zinc/64/58/76/393645876.db2.gz FNZDPOBWNLXIRW-NZVBXONLSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423361240 393663900 /nfs/dbraw/zinc/66/39/00/393663900.db2.gz MIXRFMQLHOYNJY-HONMWMINSA-N 2 2 296.867 3.465 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423393000 393665529 /nfs/dbraw/zinc/66/55/29/393665529.db2.gz XZSNLJPNIUNLQP-MLGOLLRUSA-N 2 2 264.413 3.407 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[NH+]1CCCC1 ZINC000361078449 393667284 /nfs/dbraw/zinc/66/72/84/393667284.db2.gz HQGWIEBJOCVTKK-WMLDXEAASA-N 2 2 288.435 3.234 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000423507765 393671678 /nfs/dbraw/zinc/67/16/78/393671678.db2.gz QJXJPOMGHMKZOR-OIISXLGYSA-N 2 2 260.425 3.273 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@H](C1CCCCC1)[NH+](C)C ZINC000424136674 393675915 /nfs/dbraw/zinc/67/59/15/393675915.db2.gz RDDVDHOIXOSCBX-QGZVFWFLSA-N 2 2 292.471 3.064 20 0 CGADLP CC[C@H](COC)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201164 393749156 /nfs/dbraw/zinc/74/91/56/393749156.db2.gz VEJYTPZCMGOVAW-BFYDXBDKSA-N 2 2 278.440 3.001 20 0 CGADLP CC[NH+](CC)CCN(CC(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000443890760 393776521 /nfs/dbraw/zinc/77/65/21/393776521.db2.gz YCPWOGMHCDUVAG-UHFFFAOYSA-N 2 2 290.455 3.158 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495021995 393777218 /nfs/dbraw/zinc/77/72/18/393777218.db2.gz BBDDJTYVOFMTAV-IPYPFGDCSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000495021995 393777219 /nfs/dbraw/zinc/77/72/19/393777219.db2.gz BBDDJTYVOFMTAV-IPYPFGDCSA-N 2 2 286.410 3.274 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495182414 393777980 /nfs/dbraw/zinc/77/79/80/393777980.db2.gz HTLLMUIJXFFPFG-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495182414 393777983 /nfs/dbraw/zinc/77/79/83/393777983.db2.gz HTLLMUIJXFFPFG-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495182414 393777985 /nfs/dbraw/zinc/77/79/85/393777985.db2.gz HTLLMUIJXFFPFG-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495182414 393777987 /nfs/dbraw/zinc/77/79/87/393777987.db2.gz HTLLMUIJXFFPFG-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000444000790 393782151 /nfs/dbraw/zinc/78/21/51/393782151.db2.gz FTLZIHAAGCRXCR-WBMJQRKESA-N 2 2 278.827 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000444000790 393782153 /nfs/dbraw/zinc/78/21/53/393782153.db2.gz FTLZIHAAGCRXCR-WBMJQRKESA-N 2 2 278.827 3.221 20 0 CGADLP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449130133 393875819 /nfs/dbraw/zinc/87/58/19/393875819.db2.gz XPTOQCKGGCLGNU-GDBMZVCRSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449130133 393875821 /nfs/dbraw/zinc/87/58/21/393875821.db2.gz XPTOQCKGGCLGNU-GDBMZVCRSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449352585 393879601 /nfs/dbraw/zinc/87/96/01/393879601.db2.gz VPGBZDYWOGSLBO-NXOUGTEYSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449352585 393879605 /nfs/dbraw/zinc/87/96/05/393879605.db2.gz VPGBZDYWOGSLBO-NXOUGTEYSA-N 2 2 288.410 3.275 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000450476806 393998748 /nfs/dbraw/zinc/99/87/48/393998748.db2.gz RUGUHBBUXQHODU-BRWVUGGUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000450476806 393998753 /nfs/dbraw/zinc/99/87/53/393998753.db2.gz RUGUHBBUXQHODU-BRWVUGGUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000450780695 394035564 /nfs/dbraw/zinc/03/55/64/394035564.db2.gz QZFYYEXMHPAREN-BZUAXINKSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000450780695 394035567 /nfs/dbraw/zinc/03/55/67/394035567.db2.gz QZFYYEXMHPAREN-BZUAXINKSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000450780695 394035569 /nfs/dbraw/zinc/03/55/69/394035569.db2.gz QZFYYEXMHPAREN-BZUAXINKSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000450780695 394035572 /nfs/dbraw/zinc/03/55/72/394035572.db2.gz QZFYYEXMHPAREN-BZUAXINKSA-N 2 2 250.430 3.124 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453116956 394177175 /nfs/dbraw/zinc/17/71/75/394177175.db2.gz UGJPJNCWFMRKMD-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453116956 394177179 /nfs/dbraw/zinc/17/71/79/394177179.db2.gz UGJPJNCWFMRKMD-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000453075967 394163182 /nfs/dbraw/zinc/16/31/82/394163182.db2.gz JBQIQWGCSIUNJU-SJORKVTESA-N 2 2 289.467 3.257 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccncc1 ZINC000453101774 394171987 /nfs/dbraw/zinc/17/19/87/394171987.db2.gz ZJVRKKAGCUXTJV-INIZCTEOSA-N 2 2 280.375 3.013 20 0 CGADLP CC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453231993 394213868 /nfs/dbraw/zinc/21/38/68/394213868.db2.gz IWOKNGYREOWFPK-NSHDSACASA-N 2 2 263.772 3.414 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253359 394221659 /nfs/dbraw/zinc/22/16/59/394221659.db2.gz HZCKCIPEDUZQPS-XJKCOSOUSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253359 394221660 /nfs/dbraw/zinc/22/16/60/394221660.db2.gz HZCKCIPEDUZQPS-XJKCOSOUSA-N 2 2 264.388 3.125 20 0 CGADLP C[NH+](C)Cc1cnc(CNc2ccc3c[nH+]ccc3c2)s1 ZINC000453616944 394259413 /nfs/dbraw/zinc/25/94/13/394259413.db2.gz OIAGWKOGKCECSN-UHFFFAOYSA-N 2 2 298.415 3.365 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453144190 394185990 /nfs/dbraw/zinc/18/59/90/394185990.db2.gz QEUAMHZROSFMGK-JLZZUVOBSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453144190 394185992 /nfs/dbraw/zinc/18/59/92/394185992.db2.gz QEUAMHZROSFMGK-JLZZUVOBSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)n1C ZINC000667503864 542881702 /nfs/dbraw/zinc/88/17/02/542881702.db2.gz ZVZAFUHZDHUINY-INIZCTEOSA-N 2 2 273.355 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)n1C ZINC000667503864 542881706 /nfs/dbraw/zinc/88/17/06/542881706.db2.gz ZVZAFUHZDHUINY-INIZCTEOSA-N 2 2 273.355 3.205 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000667587191 542893684 /nfs/dbraw/zinc/89/36/84/542893684.db2.gz JRIPCSYGMZARSG-KRWDZBQOSA-N 2 2 299.418 3.427 20 0 CGADLP COCC[N@H+](Cc1c[nH+]c2n1CCC2)[C@@H](C)c1ccccc1 ZINC000667520159 542884582 /nfs/dbraw/zinc/88/45/82/542884582.db2.gz SFEHNOGEGFWVQU-HNNXBMFYSA-N 2 2 299.418 3.039 20 0 CGADLP COCC[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@H](C)c1ccccc1 ZINC000667520159 542884586 /nfs/dbraw/zinc/88/45/86/542884586.db2.gz SFEHNOGEGFWVQU-HNNXBMFYSA-N 2 2 299.418 3.039 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000667667665 542912452 /nfs/dbraw/zinc/91/24/52/542912452.db2.gz STZMCGCRNRBBSY-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(F)c2F)CC[N@H+]1C ZINC000667667665 542912455 /nfs/dbraw/zinc/91/24/55/542912455.db2.gz STZMCGCRNRBBSY-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667665 542912457 /nfs/dbraw/zinc/91/24/57/542912457.db2.gz STZMCGCRNRBBSY-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2F)CC[NH+]1C ZINC000667667665 542912460 /nfs/dbraw/zinc/91/24/60/542912460.db2.gz STZMCGCRNRBBSY-JQWIXIFHSA-N 2 2 286.341 3.018 20 0 CGADLP CC(C)C[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667667828 542912833 /nfs/dbraw/zinc/91/28/33/542912833.db2.gz WXIPTAHWJMHIRR-CQSZACIVSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)C[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667667828 542912835 /nfs/dbraw/zinc/91/28/35/542912835.db2.gz WXIPTAHWJMHIRR-CQSZACIVSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+]1CCCC[C@H]1C ZINC000667783930 542928366 /nfs/dbraw/zinc/92/83/66/542928366.db2.gz BLXXJBDTTCGFSH-SUJAAXHWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+]1CCCC[C@H]1C ZINC000667783930 542928370 /nfs/dbraw/zinc/92/83/70/542928370.db2.gz BLXXJBDTTCGFSH-SUJAAXHWSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000668053644 542963313 /nfs/dbraw/zinc/96/33/13/542963313.db2.gz ZIVLYSORCFSKOO-LBPRGKRZSA-N 2 2 289.345 3.139 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000668053644 542963315 /nfs/dbraw/zinc/96/33/15/542963315.db2.gz ZIVLYSORCFSKOO-LBPRGKRZSA-N 2 2 289.345 3.139 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)c(F)c2F)CC1 ZINC000668027990 542959518 /nfs/dbraw/zinc/95/95/18/542959518.db2.gz VQMFUQQFWIKQTE-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)c(F)c2F)CC1 ZINC000668027990 542959522 /nfs/dbraw/zinc/95/95/22/542959522.db2.gz VQMFUQQFWIKQTE-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)Cc2ccccc2C)n1C ZINC000668073736 542965571 /nfs/dbraw/zinc/96/55/71/542965571.db2.gz GTQWPFHHEGUFKD-CQSZACIVSA-N 2 2 271.408 3.100 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)Cc2ccccc2C)n1C ZINC000668073736 542965574 /nfs/dbraw/zinc/96/55/74/542965574.db2.gz GTQWPFHHEGUFKD-CQSZACIVSA-N 2 2 271.408 3.100 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423246963 285600376 /nfs/dbraw/zinc/60/03/76/285600376.db2.gz OGPUEYFZKUDGTL-AWEZNQCLSA-N 2 2 282.815 3.061 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1C ZINC000668191845 542986155 /nfs/dbraw/zinc/98/61/55/542986155.db2.gz NOXHLCKKCQKZOR-QGZVFWFLSA-N 2 2 281.403 3.456 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)n1C ZINC000668191845 542986156 /nfs/dbraw/zinc/98/61/56/542986156.db2.gz NOXHLCKKCQKZOR-QGZVFWFLSA-N 2 2 281.403 3.456 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1C ZINC000668193188 542986382 /nfs/dbraw/zinc/98/63/82/542986382.db2.gz ZNCPQLWLHVIFPK-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1C ZINC000668193188 542986386 /nfs/dbraw/zinc/98/63/86/542986386.db2.gz ZNCPQLWLHVIFPK-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n1C ZINC000668203356 542988127 /nfs/dbraw/zinc/98/81/27/542988127.db2.gz FXZBRTUCFHONBR-HBUWYVDXSA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)n1C ZINC000668203356 542988130 /nfs/dbraw/zinc/98/81/30/542988130.db2.gz FXZBRTUCFHONBR-HBUWYVDXSA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1C ZINC000668203357 542988529 /nfs/dbraw/zinc/98/85/29/542988529.db2.gz FXZBRTUCFHONBR-LBTNJELSSA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)n1C ZINC000668203357 542988534 /nfs/dbraw/zinc/98/85/34/542988534.db2.gz FXZBRTUCFHONBR-LBTNJELSSA-N 2 2 283.419 3.495 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2Cc3cccc(C)c3CC2(C)C)n1C ZINC000668209135 542989091 /nfs/dbraw/zinc/98/90/91/542989091.db2.gz UWXZAMZRZYECIN-UHFFFAOYSA-N 2 2 283.419 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2Cc3cccc(C)c3CC2(C)C)n1C ZINC000668209135 542989095 /nfs/dbraw/zinc/98/90/95/542989095.db2.gz UWXZAMZRZYECIN-UHFFFAOYSA-N 2 2 283.419 3.374 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458738 543015264 /nfs/dbraw/zinc/01/52/64/543015264.db2.gz HXAZLDNXXKEEHN-RDJZCZTQSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000668458738 543015267 /nfs/dbraw/zinc/01/52/67/543015267.db2.gz HXAZLDNXXKEEHN-RDJZCZTQSA-N 2 2 274.452 3.328 20 0 CGADLP CCc1ccc(C)[nH+]c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000668479210 543018186 /nfs/dbraw/zinc/01/81/86/543018186.db2.gz VJIDILWECUWKTB-UHFFFAOYSA-N 2 2 296.418 3.428 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCc2ccco2)c[nH+]1 ZINC000668730419 543051525 /nfs/dbraw/zinc/05/15/25/543051525.db2.gz NIMSMSHCQXPOEW-UHFFFAOYSA-N 2 2 258.365 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683341 543044558 /nfs/dbraw/zinc/04/45/58/543044558.db2.gz VLCRYCSCCLYVJK-LRDDRELGSA-N 2 2 282.378 3.142 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683341 543044561 /nfs/dbraw/zinc/04/45/61/543044561.db2.gz VLCRYCSCCLYVJK-LRDDRELGSA-N 2 2 282.378 3.142 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000669680197 543116718 /nfs/dbraw/zinc/11/67/18/543116718.db2.gz YPCLJXCSVNXHTQ-SJLPKXTDSA-N 2 2 298.434 3.374 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)(C)C ZINC000670270576 543150305 /nfs/dbraw/zinc/15/03/05/543150305.db2.gz URLAZQGKVLCIJW-UKRRQHHQSA-N 2 2 262.397 3.217 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)(C)C ZINC000670270576 543150306 /nfs/dbraw/zinc/15/03/06/543150306.db2.gz URLAZQGKVLCIJW-UKRRQHHQSA-N 2 2 262.397 3.217 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000670270965 543150417 /nfs/dbraw/zinc/15/04/17/543150417.db2.gz QHNATZACYMORQV-HNNXBMFYSA-N 2 2 275.440 3.194 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C ZINC000670270260 543150500 /nfs/dbraw/zinc/15/05/00/543150500.db2.gz MAUDQNWPHKPPKH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C(C)(C)C ZINC000670270260 543150501 /nfs/dbraw/zinc/15/05/01/543150501.db2.gz MAUDQNWPHKPPKH-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000671124390 543160048 /nfs/dbraw/zinc/16/00/48/543160048.db2.gz RUJLXJCAMUPTDY-INIZCTEOSA-N 2 2 296.499 3.436 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000671304306 543168836 /nfs/dbraw/zinc/16/88/36/543168836.db2.gz ALSJAESTGSKIQZ-HFTRVMKXSA-N 2 2 290.451 3.466 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000671708572 543179248 /nfs/dbraw/zinc/17/92/48/543179248.db2.gz CJYMTRJXUZTUOM-OYADATRGSA-N 2 2 292.373 3.052 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1F ZINC000671708572 543179250 /nfs/dbraw/zinc/17/92/50/543179250.db2.gz CJYMTRJXUZTUOM-OYADATRGSA-N 2 2 292.373 3.052 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044684654 397619608 /nfs/dbraw/zinc/61/96/08/397619608.db2.gz YIFXPZAGBQECAG-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044684654 397619609 /nfs/dbraw/zinc/61/96/09/397619609.db2.gz YIFXPZAGBQECAG-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352903649 397686309 /nfs/dbraw/zinc/68/63/09/397686309.db2.gz PXTRGNWQRUFHMX-ZQIUZPCESA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352903649 397686312 /nfs/dbraw/zinc/68/63/12/397686312.db2.gz PXTRGNWQRUFHMX-ZQIUZPCESA-N 2 2 288.435 3.219 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)Cn1cc[nH+]c1 ZINC000674334520 543281215 /nfs/dbraw/zinc/28/12/15/543281215.db2.gz RXTFZCYEYXQNHS-AWEZNQCLSA-N 2 2 269.392 3.186 20 0 CGADLP C(=C\c1ccccc1)\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674372911 543283642 /nfs/dbraw/zinc/28/36/42/543283642.db2.gz HNQAEAKHFJVIGS-DAXSKMNVSA-N 2 2 267.376 3.303 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724390 543357890 /nfs/dbraw/zinc/35/78/90/543357890.db2.gz PPLGKIXXBNHWSV-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724390 543357892 /nfs/dbraw/zinc/35/78/92/543357892.db2.gz PPLGKIXXBNHWSV-MJVIPROJSA-N 2 2 286.341 3.306 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000675734007 543358837 /nfs/dbraw/zinc/35/88/37/543358837.db2.gz USVXYWYBPVHFRF-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833836 543368357 /nfs/dbraw/zinc/36/83/57/543368357.db2.gz PLFVMAYJLNIINK-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833836 543368360 /nfs/dbraw/zinc/36/83/60/543368360.db2.gz PLFVMAYJLNIINK-UXHICEINSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000675834749 543368853 /nfs/dbraw/zinc/36/88/53/543368853.db2.gz ZFAYZRYMYINBFE-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000675834749 543368856 /nfs/dbraw/zinc/36/88/56/543368856.db2.gz ZFAYZRYMYINBFE-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919859 543373396 /nfs/dbraw/zinc/37/33/96/543373396.db2.gz JHNOGOGMHWQDHH-RHSMWYFYSA-N 2 2 283.419 3.482 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919860 543373407 /nfs/dbraw/zinc/37/34/07/543373407.db2.gz JHNOGOGMHWQDHH-WMLDXEAASA-N 2 2 283.419 3.482 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCC1 ZINC000675917597 543373738 /nfs/dbraw/zinc/37/37/38/543373738.db2.gz DDWGVUHTMHESLW-YOEHRIQHSA-N 2 2 283.419 3.482 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c[nH+]1 ZINC000676040246 543378774 /nfs/dbraw/zinc/37/87/74/543378774.db2.gz WOVSQZZEOJYRCR-HNNXBMFYSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c[nH+]1 ZINC000676040246 543378776 /nfs/dbraw/zinc/37/87/76/543378776.db2.gz WOVSQZZEOJYRCR-HNNXBMFYSA-N 2 2 281.359 3.466 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000677236870 543440911 /nfs/dbraw/zinc/44/09/11/543440911.db2.gz KOENNQMUGYLAQI-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCC2 ZINC000677236870 543440913 /nfs/dbraw/zinc/44/09/13/543440913.db2.gz KOENNQMUGYLAQI-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677129898 543434902 /nfs/dbraw/zinc/43/49/02/543434902.db2.gz GTTMCXCISRPVGH-LWNYNHHKSA-N 2 2 292.373 3.024 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677129898 543434904 /nfs/dbraw/zinc/43/49/04/543434904.db2.gz GTTMCXCISRPVGH-LWNYNHHKSA-N 2 2 292.373 3.024 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000677519862 543453713 /nfs/dbraw/zinc/45/37/13/543453713.db2.gz PNDGZHMQKXHRNO-VGWMRTNUSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000677519862 543453716 /nfs/dbraw/zinc/45/37/16/543453716.db2.gz PNDGZHMQKXHRNO-VGWMRTNUSA-N 2 2 252.446 3.131 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000361219416 292168967 /nfs/dbraw/zinc/16/89/67/292168967.db2.gz CTVYKXCWUIBZHU-HUUCEWRRSA-N 2 2 296.499 3.290 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403940 572750621 /nfs/dbraw/zinc/75/06/21/572750621.db2.gz BHAUUJIYWHMSDF-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403940 572750624 /nfs/dbraw/zinc/75/06/24/572750624.db2.gz BHAUUJIYWHMSDF-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000678001188 543475740 /nfs/dbraw/zinc/47/57/40/543475740.db2.gz GVFMRUVRWGGGCH-INIZCTEOSA-N 2 2 294.402 3.244 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c[nH+]1 ZINC000678001188 543475742 /nfs/dbraw/zinc/47/57/42/543475742.db2.gz GVFMRUVRWGGGCH-INIZCTEOSA-N 2 2 294.402 3.244 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000678113929 543484234 /nfs/dbraw/zinc/48/42/34/543484234.db2.gz OOLHUQSLSZDMQW-FMKPAKJESA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000678113929 543484235 /nfs/dbraw/zinc/48/42/35/543484235.db2.gz OOLHUQSLSZDMQW-FMKPAKJESA-N 2 2 258.409 3.227 20 0 CGADLP c1cc2cccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2[nH]1 ZINC000678234663 543497868 /nfs/dbraw/zinc/49/78/68/543497868.db2.gz IQXRTAWRDAJANJ-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2cccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2[nH]1 ZINC000678234663 543497871 /nfs/dbraw/zinc/49/78/71/543497871.db2.gz IQXRTAWRDAJANJ-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cscc2Cl)CC[N@@H+]1C ZINC000678277711 543509553 /nfs/dbraw/zinc/50/95/53/543509553.db2.gz CSOCUMNGEBRMRX-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cscc2Cl)CC[N@H+]1C ZINC000678277711 543509556 /nfs/dbraw/zinc/50/95/56/543509556.db2.gz CSOCUMNGEBRMRX-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277711 543509557 /nfs/dbraw/zinc/50/95/57/543509557.db2.gz CSOCUMNGEBRMRX-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277711 543509558 /nfs/dbraw/zinc/50/95/58/543509558.db2.gz CSOCUMNGEBRMRX-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000678590022 543538245 /nfs/dbraw/zinc/53/82/45/543538245.db2.gz YSNZZMRTDFZZCW-IIDMSEBBSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000678590022 543538248 /nfs/dbraw/zinc/53/82/48/543538248.db2.gz YSNZZMRTDFZZCW-IIDMSEBBSA-N 2 2 284.447 3.006 20 0 CGADLP CC[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CC1 ZINC000678592852 543539065 /nfs/dbraw/zinc/53/90/65/543539065.db2.gz XMTSCPMEYKGLCN-CQSZACIVSA-N 2 2 271.408 3.284 20 0 CGADLP CCc1ccc([C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C)cc1 ZINC000678685498 543549655 /nfs/dbraw/zinc/54/96/55/543549655.db2.gz HJKDJGKYVUOXGX-PBHICJAKSA-N 2 2 262.441 3.486 20 0 CGADLP CCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000678788003 543558445 /nfs/dbraw/zinc/55/84/45/543558445.db2.gz BWGYJTKVLIXREW-UHFFFAOYSA-N 2 2 279.403 3.169 20 0 CGADLP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000678788003 543558446 /nfs/dbraw/zinc/55/84/46/543558446.db2.gz BWGYJTKVLIXREW-UHFFFAOYSA-N 2 2 279.403 3.169 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000678923732 543571702 /nfs/dbraw/zinc/57/17/02/543571702.db2.gz BSISFSZLOVIQSV-QGZVFWFLSA-N 2 2 287.382 3.470 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000553877052 289243467 /nfs/dbraw/zinc/24/34/67/289243467.db2.gz HVCZMJVNERBRHJ-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000553877052 289243470 /nfs/dbraw/zinc/24/34/70/289243470.db2.gz HVCZMJVNERBRHJ-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000554050699 289253452 /nfs/dbraw/zinc/25/34/52/289253452.db2.gz SVVKMLOELOKULY-LSDHHAIUSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358212763 292316218 /nfs/dbraw/zinc/31/62/18/292316218.db2.gz ASIQILHMXXNONM-KKXDTOCCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358212763 292316221 /nfs/dbraw/zinc/31/62/21/292316221.db2.gz ASIQILHMXXNONM-KKXDTOCCSA-N 2 2 270.420 3.055 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000491050561 287037295 /nfs/dbraw/zinc/03/72/95/287037295.db2.gz HXSYMJTVIYAZFY-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491050561 287037297 /nfs/dbraw/zinc/03/72/97/287037297.db2.gz HXSYMJTVIYAZFY-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000089693913 287093689 /nfs/dbraw/zinc/09/36/89/287093689.db2.gz CBVRXEGOLVOTRU-CQSZACIVSA-N 2 2 296.201 3.467 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070101648 165052999 /nfs/dbraw/zinc/05/29/99/165052999.db2.gz TZBVSMWJELKEFZ-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070101648 165053001 /nfs/dbraw/zinc/05/30/01/165053001.db2.gz TZBVSMWJELKEFZ-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070444555 165060992 /nfs/dbraw/zinc/06/09/92/165060992.db2.gz UNWSIHFEMPQYRI-CQSZACIVSA-N 2 2 286.423 3.435 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772885 165243430 /nfs/dbraw/zinc/24/34/30/165243430.db2.gz KPHMGBBAEWTNIO-QAPCUYQASA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772885 165243432 /nfs/dbraw/zinc/24/34/32/165243432.db2.gz KPHMGBBAEWTNIO-QAPCUYQASA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959771 165277531 /nfs/dbraw/zinc/27/75/31/165277531.db2.gz ZNBUSXYSNXDYKU-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959771 165277532 /nfs/dbraw/zinc/27/75/32/165277532.db2.gz ZNBUSXYSNXDYKU-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253809 165285839 /nfs/dbraw/zinc/28/58/39/165285839.db2.gz ZHLBQCZVQNLXGH-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253809 165285840 /nfs/dbraw/zinc/28/58/40/165285840.db2.gz ZHLBQCZVQNLXGH-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253809 165285844 /nfs/dbraw/zinc/28/58/44/165285844.db2.gz ZHLBQCZVQNLXGH-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253809 165285847 /nfs/dbraw/zinc/28/58/47/165285847.db2.gz ZHLBQCZVQNLXGH-CYBMUJFWSA-N 2 2 295.496 3.214 20 0 CGADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253899 165286933 /nfs/dbraw/zinc/28/69/33/165286933.db2.gz JIMHFGHIYIWXKG-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[N@H+](Cc1cnc(C2CCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253899 165286936 /nfs/dbraw/zinc/28/69/36/165286936.db2.gz JIMHFGHIYIWXKG-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253899 165286938 /nfs/dbraw/zinc/28/69/38/165286938.db2.gz JIMHFGHIYIWXKG-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253899 165286941 /nfs/dbraw/zinc/28/69/41/165286941.db2.gz JIMHFGHIYIWXKG-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338814 165349382 /nfs/dbraw/zinc/34/93/82/165349382.db2.gz SUFYYLAQZVSWIV-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338814 165349385 /nfs/dbraw/zinc/34/93/85/165349385.db2.gz SUFYYLAQZVSWIV-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338982 165351140 /nfs/dbraw/zinc/35/11/40/165351140.db2.gz NHFZEEBBHDIIDE-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094338982 165351142 /nfs/dbraw/zinc/35/11/42/165351142.db2.gz NHFZEEBBHDIIDE-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000094896004 165396358 /nfs/dbraw/zinc/39/63/58/165396358.db2.gz UGNATGUDTJGYFX-UHFFFAOYSA-N 2 2 271.408 3.262 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093693261 287118655 /nfs/dbraw/zinc/11/86/55/287118655.db2.gz MJGXBCFJKHTLSA-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000093693261 287118656 /nfs/dbraw/zinc/11/86/56/287118656.db2.gz MJGXBCFJKHTLSA-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406339 287116242 /nfs/dbraw/zinc/11/62/42/287116242.db2.gz RRZMLRHRORNDRR-STQMWFEESA-N 2 2 293.480 3.014 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406339 287116244 /nfs/dbraw/zinc/11/62/44/287116244.db2.gz RRZMLRHRORNDRR-STQMWFEESA-N 2 2 293.480 3.014 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000261567552 165817856 /nfs/dbraw/zinc/81/78/56/165817856.db2.gz IRHJDXPBSKTPKY-GAJTVXKRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000261567552 165817859 /nfs/dbraw/zinc/81/78/59/165817859.db2.gz IRHJDXPBSKTPKY-GAJTVXKRSA-N 2 2 285.218 3.163 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nccs1 ZINC000119092664 287164851 /nfs/dbraw/zinc/16/48/51/287164851.db2.gz NDOQHOMTKSSQJK-ZDUSSCGKSA-N 2 2 267.442 3.060 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000122299025 287208473 /nfs/dbraw/zinc/20/84/73/287208473.db2.gz RXOANEBSFVWXOA-WCQYABFASA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000122299025 287208475 /nfs/dbraw/zinc/20/84/75/287208475.db2.gz RXOANEBSFVWXOA-WCQYABFASA-N 2 2 298.352 3.420 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000284310307 196027323 /nfs/dbraw/zinc/02/73/23/196027323.db2.gz LGURCDFNRNUEAD-GOSISDBHSA-N 2 2 283.419 3.193 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000020189856 171056706 /nfs/dbraw/zinc/05/67/06/171056706.db2.gz PDGFRBCXOVINDL-LBPRGKRZSA-N 2 2 282.378 3.490 20 0 CGADLP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020546473 171243970 /nfs/dbraw/zinc/24/39/70/171243970.db2.gz NYAOMWGZFKMBDF-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020565797 171254386 /nfs/dbraw/zinc/25/43/86/171254386.db2.gz QOOZZYHUJUNJFP-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020565797 171254388 /nfs/dbraw/zinc/25/43/88/171254388.db2.gz QOOZZYHUJUNJFP-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035275030 172095903 /nfs/dbraw/zinc/09/59/03/172095903.db2.gz BADRNQIYHKGDHY-CQSZACIVSA-N 2 2 257.381 3.185 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000285687732 196366935 /nfs/dbraw/zinc/36/69/35/196366935.db2.gz OHNNBFFXTGCLJM-INIZCTEOSA-N 2 2 275.440 3.163 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)[NH+]1CCCCC1 ZINC000038028494 174017603 /nfs/dbraw/zinc/01/76/03/174017603.db2.gz XCOOVVVTNSJWTL-DLBZAZTESA-N 2 2 274.452 3.472 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccc(Cl)cc2)C1)[NH+](C)C ZINC000038087763 174100244 /nfs/dbraw/zinc/10/02/44/174100244.db2.gz RXGBWSQFGPQBKT-ZOODHJKOSA-N 2 2 266.816 3.126 20 0 CGADLP CCOC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000128453171 287311727 /nfs/dbraw/zinc/31/17/27/287311727.db2.gz YSNQPIMZJDVZFO-INIZCTEOSA-N 2 2 282.472 3.190 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000071142331 176040211 /nfs/dbraw/zinc/04/02/11/176040211.db2.gz NNERAWAJUGSBSI-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000071142331 176040213 /nfs/dbraw/zinc/04/02/13/176040213.db2.gz NNERAWAJUGSBSI-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC=CCC3)cc2)c[nH+]1 ZINC000076770873 177086919 /nfs/dbraw/zinc/08/69/19/177086919.db2.gz LZKRHICGLBZCHS-OAHLLOKOSA-N 2 2 253.349 3.071 20 0 CGADLP C[NH+](C)C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129236056 287327432 /nfs/dbraw/zinc/32/74/32/287327432.db2.gz IXLRGWPSBKDGNV-HOTGVXAUSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccccn2)CC[N@H+](Cc2ccccc2)C1 ZINC000309828332 416530089 /nfs/dbraw/zinc/53/00/89/416530089.db2.gz RLDSCMGPSCLFRJ-IBGZPJMESA-N 2 2 295.430 3.083 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccccn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309828332 416530095 /nfs/dbraw/zinc/53/00/95/416530095.db2.gz RLDSCMGPSCLFRJ-IBGZPJMESA-N 2 2 295.430 3.083 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1)[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219373 543601627 /nfs/dbraw/zinc/60/16/27/543601627.db2.gz CPUGOQRWQRMRAX-YXMSTPNBSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H](F)C1)[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219373 543601632 /nfs/dbraw/zinc/60/16/32/543601632.db2.gz CPUGOQRWQRMRAX-YXMSTPNBSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H](F)C1)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219373 543601634 /nfs/dbraw/zinc/60/16/34/543601634.db2.gz CPUGOQRWQRMRAX-YXMSTPNBSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@@H](F)C1)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679219373 543601637 /nfs/dbraw/zinc/60/16/37/543601637.db2.gz CPUGOQRWQRMRAX-YXMSTPNBSA-N 2 2 288.426 3.125 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000679349697 543624715 /nfs/dbraw/zinc/62/47/15/543624715.db2.gz XDGHNJJGPSLJEW-RVKKMQEKSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000679349697 543624717 /nfs/dbraw/zinc/62/47/17/543624717.db2.gz XDGHNJJGPSLJEW-RVKKMQEKSA-N 2 2 272.436 3.171 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130223813 287347940 /nfs/dbraw/zinc/34/79/40/287347940.db2.gz BNEBEBSPCVXLKB-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCCCC1 ZINC000679332484 543620771 /nfs/dbraw/zinc/62/07/71/543620771.db2.gz WBJAPHUTRXRDDI-DLBZAZTESA-N 2 2 284.488 3.028 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680329842 543698022 /nfs/dbraw/zinc/69/80/22/543698022.db2.gz RMEIFMOKHRBOSJ-PMPSAXMXSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000680329842 543698023 /nfs/dbraw/zinc/69/80/23/543698023.db2.gz RMEIFMOKHRBOSJ-PMPSAXMXSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681388836 543785494 /nfs/dbraw/zinc/78/54/94/543785494.db2.gz BYZFQRSKOBYRKJ-WCQYABFASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681388836 543785497 /nfs/dbraw/zinc/78/54/97/543785497.db2.gz BYZFQRSKOBYRKJ-WCQYABFASA-N 2 2 278.362 3.181 20 0 CGADLP Fc1cc(C[NH2+]C2CC(C(F)F)C2)ccc1-n1cc[nH+]c1 ZINC000681090941 543764980 /nfs/dbraw/zinc/76/49/80/543764980.db2.gz UEHGGSRMNVRXGX-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP Cc1cccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000681208714 543773521 /nfs/dbraw/zinc/77/35/21/543773521.db2.gz HNQSVBSUXIFSMY-QGZVFWFLSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000681208714 543773524 /nfs/dbraw/zinc/77/35/24/543773524.db2.gz HNQSVBSUXIFSMY-QGZVFWFLSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3cc[nH+]c(C)c3Cl)n2c1 ZINC000683071480 543893257 /nfs/dbraw/zinc/89/32/57/543893257.db2.gz XKYURPCTWNEWER-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cscc1Cl ZINC000685470380 544077863 /nfs/dbraw/zinc/07/78/63/544077863.db2.gz JDDZHERVQLCRTG-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cscc1Cl ZINC000685470380 544077865 /nfs/dbraw/zinc/07/78/65/544077865.db2.gz JDDZHERVQLCRTG-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cscc1Cl ZINC000685470380 544077868 /nfs/dbraw/zinc/07/78/68/544077868.db2.gz JDDZHERVQLCRTG-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cscc1Cl ZINC000685470380 544077869 /nfs/dbraw/zinc/07/78/69/544077869.db2.gz JDDZHERVQLCRTG-ZWNOBZJWSA-N 2 2 272.845 3.174 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC2(F)F)c[nH+]1 ZINC000685473166 544078331 /nfs/dbraw/zinc/07/83/31/544078331.db2.gz UWEYWDYPCHWVTJ-ZDUSSCGKSA-N 2 2 254.324 3.100 20 0 CGADLP Cc1ccc(CCC[NH2+]C2(C(F)F)CCCC2)c[nH+]1 ZINC000685476969 544080865 /nfs/dbraw/zinc/08/08/65/544080865.db2.gz BEHQKAQLJFGHKY-UHFFFAOYSA-N 2 2 268.351 3.490 20 0 CGADLP C[C@@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000685842834 544100981 /nfs/dbraw/zinc/10/09/81/544100981.db2.gz PVJGJAHIWVXJDY-AWEZNQCLSA-N 2 2 262.441 3.066 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000462747910 287489522 /nfs/dbraw/zinc/48/95/22/287489522.db2.gz YDPOHYWOIDUSEY-UGUYLWEFSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000352834652 227310593 /nfs/dbraw/zinc/31/05/93/227310593.db2.gz VNJOCELABCOEND-MQIPJXDCSA-N 2 2 278.465 3.060 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000352834652 227310599 /nfs/dbraw/zinc/31/05/99/227310599.db2.gz VNJOCELABCOEND-MQIPJXDCSA-N 2 2 278.465 3.060 20 0 CGADLP CC(C)CC1([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000658320562 418934234 /nfs/dbraw/zinc/93/42/34/418934234.db2.gz CIFUEVGSAMYUJD-UHFFFAOYSA-N 2 2 287.451 3.214 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659871260 419022585 /nfs/dbraw/zinc/02/25/85/419022585.db2.gz PUFIJEPUUDGGLK-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659871260 419022587 /nfs/dbraw/zinc/02/25/87/419022587.db2.gz PUFIJEPUUDGGLK-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C1CCC1 ZINC000659873050 419024864 /nfs/dbraw/zinc/02/48/64/419024864.db2.gz JKKAARWSJYWDJC-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C1CCC1 ZINC000659873050 419024867 /nfs/dbraw/zinc/02/48/67/419024867.db2.gz JKKAARWSJYWDJC-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827756 419012191 /nfs/dbraw/zinc/01/21/91/419012191.db2.gz QAQLDKNLLCVISH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827756 419012193 /nfs/dbraw/zinc/01/21/93/419012193.db2.gz QAQLDKNLLCVISH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827756 419012196 /nfs/dbraw/zinc/01/21/96/419012196.db2.gz QAQLDKNLLCVISH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664827756 419012198 /nfs/dbraw/zinc/01/21/98/419012198.db2.gz QAQLDKNLLCVISH-IAGOWNOFSA-N 2 2 287.451 3.339 20 0 CGADLP c1cc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000655856572 419124497 /nfs/dbraw/zinc/12/44/97/419124497.db2.gz NVCSCWAEBCTICJ-IRXDYDNUSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000655856572 419124501 /nfs/dbraw/zinc/12/45/01/419124501.db2.gz NVCSCWAEBCTICJ-IRXDYDNUSA-N 2 2 283.419 3.274 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655776308 419094940 /nfs/dbraw/zinc/09/49/40/419094940.db2.gz HFLHXXOYJFVQCJ-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000655792422 419098556 /nfs/dbraw/zinc/09/85/56/419098556.db2.gz UKAYFENGIZAFMA-UHFFFAOYSA-N 2 2 290.304 3.027 20 0 CGADLP c1ccc(C([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665277822 419099304 /nfs/dbraw/zinc/09/93/04/419099304.db2.gz MMQAVRLBZXMPQG-UHFFFAOYSA-N 2 2 278.399 3.118 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665278947 419101238 /nfs/dbraw/zinc/10/12/38/419101238.db2.gz SMMBHEUOBIKWTB-VXVMZULRSA-N 2 2 288.410 3.399 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H]2CC2CCCC2)c[nH+]1 ZINC000653892522 419105449 /nfs/dbraw/zinc/10/54/49/419105449.db2.gz IUPVEHIDKGNQKL-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H]2CC2CCCC2)c[nH+]1 ZINC000653892522 419105452 /nfs/dbraw/zinc/10/54/52/419105452.db2.gz IUPVEHIDKGNQKL-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000665296369 419108884 /nfs/dbraw/zinc/10/88/84/419108884.db2.gz RWCIDUSYXYAFNZ-HZMBPMFUSA-N 2 2 297.240 3.024 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848720 419118265 /nfs/dbraw/zinc/11/82/65/419118265.db2.gz JZEAEKPOJJNNAT-BHYGNILZSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848720 419118267 /nfs/dbraw/zinc/11/82/67/419118267.db2.gz JZEAEKPOJJNNAT-BHYGNILZSA-N 2 2 288.435 3.363 20 0 CGADLP CC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655850883 419121164 /nfs/dbraw/zinc/12/11/64/419121164.db2.gz ZMSKFDLIEDAAQV-CKUJCDMFSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850883 419121167 /nfs/dbraw/zinc/12/11/67/419121167.db2.gz ZMSKFDLIEDAAQV-CKUJCDMFSA-N 2 2 250.430 3.172 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655855412 419122833 /nfs/dbraw/zinc/12/28/33/419122833.db2.gz DFSBSOKVQOWYMW-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655855412 419122835 /nfs/dbraw/zinc/12/28/35/419122835.db2.gz DFSBSOKVQOWYMW-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855605 419122885 /nfs/dbraw/zinc/12/28/85/419122885.db2.gz IFNVDUGWETVAOX-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855605 419122887 /nfs/dbraw/zinc/12/28/87/419122887.db2.gz IFNVDUGWETVAOX-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP CCC(C)(C)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653588434 419054632 /nfs/dbraw/zinc/05/46/32/419054632.db2.gz VZBHAKUNCPVLHZ-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP CCC(C)(C)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653588434 419054636 /nfs/dbraw/zinc/05/46/36/419054636.db2.gz VZBHAKUNCPVLHZ-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCC1CCC1)Cc1ccco1 ZINC000660548881 419160076 /nfs/dbraw/zinc/16/00/76/419160076.db2.gz PIYJIOJKQAAYLX-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)CCC1CCC1)Cc1ccco1 ZINC000660548881 419160079 /nfs/dbraw/zinc/16/00/79/419160079.db2.gz PIYJIOJKQAAYLX-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC1CCC1 ZINC000660548881 419160081 /nfs/dbraw/zinc/16/00/81/419160081.db2.gz PIYJIOJKQAAYLX-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC1CCC1 ZINC000660548881 419160084 /nfs/dbraw/zinc/16/00/84/419160084.db2.gz PIYJIOJKQAAYLX-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654451 419177224 /nfs/dbraw/zinc/17/72/24/419177224.db2.gz GJSRDCMUKJOLOT-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654451 419177227 /nfs/dbraw/zinc/17/72/27/419177227.db2.gz GJSRDCMUKJOLOT-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654451 419177230 /nfs/dbraw/zinc/17/72/30/419177230.db2.gz GJSRDCMUKJOLOT-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654451 419177232 /nfs/dbraw/zinc/17/72/32/419177232.db2.gz GJSRDCMUKJOLOT-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP Cc1noc(C)c1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673866 419180734 /nfs/dbraw/zinc/18/07/34/419180734.db2.gz JAJHROKQILSQOZ-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000666088586 419188987 /nfs/dbraw/zinc/18/89/87/419188987.db2.gz BRKMYERRROAMKH-ZBFHGGJFSA-N 2 2 288.435 3.139 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000666088586 419188988 /nfs/dbraw/zinc/18/89/88/419188988.db2.gz BRKMYERRROAMKH-ZBFHGGJFSA-N 2 2 288.435 3.139 20 0 CGADLP C[C@H]1CCC(C)(C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191407 /nfs/dbraw/zinc/19/14/07/419191407.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H]1CCC(C)(C)[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191408 /nfs/dbraw/zinc/19/14/08/419191408.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H]1CCC(C)(C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191412 /nfs/dbraw/zinc/19/14/12/419191412.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H]1CCC(C)(C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755850 419191415 /nfs/dbraw/zinc/19/14/15/419191415.db2.gz UIIBNWDSRLYPHW-ZNMIVQPWSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000657334285 419252739 /nfs/dbraw/zinc/25/27/39/419252739.db2.gz UHLXLAOTYVLDSC-ARFHVFGLSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000661375119 419254593 /nfs/dbraw/zinc/25/45/93/419254593.db2.gz JNKZWMJUZUSGAS-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000661375119 419254596 /nfs/dbraw/zinc/25/45/96/419254596.db2.gz JNKZWMJUZUSGAS-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350686 419257413 /nfs/dbraw/zinc/25/74/13/419257413.db2.gz XCPFXOXQXSBTJN-INIZCTEOSA-N 2 2 297.402 3.005 20 0 CGADLP C[C@H]1CCC[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657363464 419260621 /nfs/dbraw/zinc/26/06/21/419260621.db2.gz OUQWILHPFHETKA-KBPBESRZSA-N 2 2 261.413 3.135 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CO1 ZINC000657368620 419261119 /nfs/dbraw/zinc/26/11/19/419261119.db2.gz VFQZCVFFUXGTBH-DJIMGWMZSA-N 2 2 290.451 3.273 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cc(C)cc(C)c2)n1C ZINC000657378717 419265169 /nfs/dbraw/zinc/26/51/69/419265169.db2.gz YJOVHQSPDJADKU-CQSZACIVSA-N 2 2 271.408 3.066 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657389456 419267300 /nfs/dbraw/zinc/26/73/00/419267300.db2.gz WTTMVWHBHLQGER-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656676674 419197382 /nfs/dbraw/zinc/19/73/82/419197382.db2.gz PLXOBWRRHFUHAT-NVXWUHKLSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656676674 419197383 /nfs/dbraw/zinc/19/73/83/419197383.db2.gz PLXOBWRRHFUHAT-NVXWUHKLSA-N 2 2 274.452 3.470 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc21 ZINC000657390435 419267770 /nfs/dbraw/zinc/26/77/70/419267770.db2.gz XVHNIJZTJOAOST-ZFWWWQNUSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc21 ZINC000657390435 419267774 /nfs/dbraw/zinc/26/77/74/419267774.db2.gz XVHNIJZTJOAOST-ZFWWWQNUSA-N 2 2 283.419 3.191 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1cccc(C2CC2)[nH+]1 ZINC000656775337 419214518 /nfs/dbraw/zinc/21/45/18/419214518.db2.gz QAQPGNPZQCNJIO-UHFFFAOYSA-N 2 2 256.353 3.349 20 0 CGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000656787159 419219644 /nfs/dbraw/zinc/21/96/44/419219644.db2.gz DYWQIOJFCUWJHQ-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000656787159 419219646 /nfs/dbraw/zinc/21/96/46/419219646.db2.gz DYWQIOJFCUWJHQ-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP CC[C@@H](C)[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661104916 419229828 /nfs/dbraw/zinc/22/98/28/419229828.db2.gz UOXQNBIFEYVOEJ-MRXNPFEDSA-N 2 2 290.451 3.139 20 0 CGADLP CC[C@@H](C)[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661104916 419229831 /nfs/dbraw/zinc/22/98/31/419229831.db2.gz UOXQNBIFEYVOEJ-MRXNPFEDSA-N 2 2 290.451 3.139 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657471827 419286004 /nfs/dbraw/zinc/28/60/04/419286004.db2.gz BFLKEPJJNBQBAK-UHFFFAOYSA-N 2 2 285.366 3.136 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@H](C)C1 ZINC000657486496 419291006 /nfs/dbraw/zinc/29/10/06/419291006.db2.gz CKCVAZKXBKJBPG-MELADBBJSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000657564673 419306940 /nfs/dbraw/zinc/30/69/40/419306940.db2.gz YLGOEXIDMTXISL-VQHPVUNQSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000657564673 419306942 /nfs/dbraw/zinc/30/69/42/419306942.db2.gz YLGOEXIDMTXISL-VQHPVUNQSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H](C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657587601 419310864 /nfs/dbraw/zinc/31/08/64/419310864.db2.gz YLFWQCMOXKKFHU-CQSZACIVSA-N 2 2 257.381 3.398 20 0 CGADLP Cc1cccn2c(C[NH2+]CC[C@@]3(C)CC3(F)F)c[nH+]c12 ZINC000657671092 419325886 /nfs/dbraw/zinc/32/58/86/419325886.db2.gz KMYUTRJHPATOKY-AWEZNQCLSA-N 2 2 279.334 3.168 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000657680380 419327763 /nfs/dbraw/zinc/32/77/63/419327763.db2.gz JVDZTNWOLHRHKY-CQSZACIVSA-N 2 2 261.394 3.212 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(F)(F)CC1 ZINC000657694003 419329394 /nfs/dbraw/zinc/32/93/94/419329394.db2.gz INXMQNIBJQKTRZ-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000193122382 228059751 /nfs/dbraw/zinc/05/97/51/228059751.db2.gz GSPDNTIYZWLAKZ-UKRRQHHQSA-N 2 2 271.408 3.291 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657664473 419322363 /nfs/dbraw/zinc/32/23/63/419322363.db2.gz KRCLXIATWWOURF-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657664473 419322364 /nfs/dbraw/zinc/32/23/64/419322364.db2.gz KRCLXIATWWOURF-BMFZPTHFSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3c(C)cccc32)n1C ZINC000657799875 419361227 /nfs/dbraw/zinc/36/12/27/419361227.db2.gz ZVTMNCRFZZNYSD-QGZVFWFLSA-N 2 2 269.392 3.204 20 0 CGADLP COC1([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000657849152 419387891 /nfs/dbraw/zinc/38/78/91/419387891.db2.gz COPOCIZCZRJMDX-ZDUSSCGKSA-N 2 2 287.407 3.043 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000657870549 419396749 /nfs/dbraw/zinc/39/67/49/419396749.db2.gz FIGZRLSXXLNVQA-DOMZBBRYSA-N 2 2 268.832 3.201 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000657889294 419411909 /nfs/dbraw/zinc/41/19/09/419411909.db2.gz RRTUAICLHUGICV-KBAYOESNSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000657889294 419411922 /nfs/dbraw/zinc/41/19/22/419411922.db2.gz RRTUAICLHUGICV-KBAYOESNSA-N 2 2 299.462 3.214 20 0 CGADLP CC1(C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000657836508 419382112 /nfs/dbraw/zinc/38/21/12/419382112.db2.gz VSFPFQSQOUOMHR-HLLBOEOZSA-N 2 2 287.451 3.176 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1c1cccc(F)c1 ZINC000662281523 419383897 /nfs/dbraw/zinc/38/38/97/419383897.db2.gz NBANXDDCPIWQCE-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1c1cccc(F)c1 ZINC000662281523 419383904 /nfs/dbraw/zinc/38/39/04/419383904.db2.gz NBANXDDCPIWQCE-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1cccnc1)CC(C)(C)[NH3+] ZINC000662292147 419384555 /nfs/dbraw/zinc/38/45/55/419384555.db2.gz BQFLBZRQZHIQMV-UHFFFAOYSA-N 2 2 285.391 3.043 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)CC(C)(C)[NH3+] ZINC000662292147 419384563 /nfs/dbraw/zinc/38/45/63/419384563.db2.gz BQFLBZRQZHIQMV-UHFFFAOYSA-N 2 2 285.391 3.043 20 0 CGADLP CCOC1CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000657993958 419486841 /nfs/dbraw/zinc/48/68/41/419486841.db2.gz OTWGJCKDFCCQMR-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP CCOC1CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000657993958 419486846 /nfs/dbraw/zinc/48/68/46/419486846.db2.gz OTWGJCKDFCCQMR-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC34CC4)[nH+]c12 ZINC000657901560 419428157 /nfs/dbraw/zinc/42/81/57/419428157.db2.gz ZNAUWUIGIKHZON-HNNXBMFYSA-N 2 2 269.392 3.108 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000658064352 419540355 /nfs/dbraw/zinc/54/03/55/419540355.db2.gz ZNJBWMITYWUNER-HZPDHXFCSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000658064352 419540363 /nfs/dbraw/zinc/54/03/63/419540363.db2.gz ZNJBWMITYWUNER-HZPDHXFCSA-N 2 2 291.414 3.134 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000658089510 419561402 /nfs/dbraw/zinc/56/14/02/419561402.db2.gz VVYIQZSEFZNZHU-ZQIUZPCESA-N 2 2 290.426 3.280 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000658089510 419561410 /nfs/dbraw/zinc/56/14/10/419561410.db2.gz VVYIQZSEFZNZHU-ZQIUZPCESA-N 2 2 290.426 3.280 20 0 CGADLP c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(C2CCCC2)c1 ZINC000663499587 419636855 /nfs/dbraw/zinc/63/68/55/419636855.db2.gz DHNYUDDXLUGQPX-UHFFFAOYSA-N 2 2 270.420 3.186 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096047 419573192 /nfs/dbraw/zinc/57/31/92/419573192.db2.gz NGOLVPLFYOQYPF-WBVHZDCISA-N 2 2 289.467 3.255 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096047 419573199 /nfs/dbraw/zinc/57/31/99/419573199.db2.gz NGOLVPLFYOQYPF-WBVHZDCISA-N 2 2 289.467 3.255 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095660 419574187 /nfs/dbraw/zinc/57/41/87/419574187.db2.gz JYCHBPOEKMDVFJ-ZFWWWQNUSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095660 419574194 /nfs/dbraw/zinc/57/41/94/419574194.db2.gz JYCHBPOEKMDVFJ-ZFWWWQNUSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@]1(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(F)F ZINC000658224184 419680609 /nfs/dbraw/zinc/68/06/09/419680609.db2.gz NVIAHKWBWDQBFU-HNNXBMFYSA-N 2 2 295.377 3.075 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000658285372 419732583 /nfs/dbraw/zinc/73/25/83/419732583.db2.gz LBSIXORNYBRBGK-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000658285372 419732591 /nfs/dbraw/zinc/73/25/91/419732591.db2.gz LBSIXORNYBRBGK-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP c1cc2c(cc[nH+]c2NCc2ccc[nH+]c2N2CCCC2)[nH]1 ZINC000664191030 419858129 /nfs/dbraw/zinc/85/81/29/419858129.db2.gz CPVJBZSMLMKZGN-UHFFFAOYSA-N 2 2 293.374 3.170 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000221982828 287629490 /nfs/dbraw/zinc/62/94/90/287629490.db2.gz IFZBNIWWPSPSOW-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000221972662 261352998 /nfs/dbraw/zinc/35/29/98/261352998.db2.gz CMCLYPUTZSVUIZ-RHSMWYFYSA-N 2 2 280.431 3.323 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094501 270037981 /nfs/dbraw/zinc/03/79/81/270037981.db2.gz XWERRTPBNZZVIP-OAHLLOKOSA-N 2 2 287.407 3.413 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189885 265356715 /nfs/dbraw/zinc/35/67/15/265356715.db2.gz NMWFCFDKMZYBTQ-VXGQWTEUSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189885 265356717 /nfs/dbraw/zinc/35/67/17/265356717.db2.gz NMWFCFDKMZYBTQ-VXGQWTEUSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000187746483 270069177 /nfs/dbraw/zinc/06/91/77/270069177.db2.gz YYJSTJOHOMARNQ-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000187746483 270069178 /nfs/dbraw/zinc/06/91/78/270069178.db2.gz YYJSTJOHOMARNQ-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000187746543 270069226 /nfs/dbraw/zinc/06/92/26/270069226.db2.gz YYJSTJOHOMARNQ-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000187746543 270069227 /nfs/dbraw/zinc/06/92/27/270069227.db2.gz YYJSTJOHOMARNQ-IUODEOHRSA-N 2 2 266.816 3.127 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)cc1C)[C@H]1CC[NH2+]C1 ZINC000219892545 270085806 /nfs/dbraw/zinc/08/58/06/270085806.db2.gz BDAFBEZWVDWLRY-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)cc1C)[C@H]1CC[NH2+]C1 ZINC000219892545 270085807 /nfs/dbraw/zinc/08/58/07/270085807.db2.gz BDAFBEZWVDWLRY-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000223147207 270086261 /nfs/dbraw/zinc/08/62/61/270086261.db2.gz UFMYNQVAOJYSCY-PBHICJAKSA-N 2 2 280.431 3.323 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000222915863 270086289 /nfs/dbraw/zinc/08/62/89/270086289.db2.gz VJSBCUSPLVYWRH-FRFSOERESA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000222915863 270086290 /nfs/dbraw/zinc/08/62/90/270086290.db2.gz VJSBCUSPLVYWRH-FRFSOERESA-N 2 2 258.409 3.353 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000224542602 270086865 /nfs/dbraw/zinc/08/68/65/270086865.db2.gz QQVSZOLEFXFRRN-VNHYZAJKSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000224542602 270086866 /nfs/dbraw/zinc/08/68/66/270086866.db2.gz QQVSZOLEFXFRRN-VNHYZAJKSA-N 2 2 276.399 3.410 20 0 CGADLP CC(C)C(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000229533157 270088425 /nfs/dbraw/zinc/08/84/25/270088425.db2.gz HBIGBOBBHCVKLU-KGLIPLIRSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)C(C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000229533157 270088426 /nfs/dbraw/zinc/08/84/26/270088426.db2.gz HBIGBOBBHCVKLU-KGLIPLIRSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000321957086 270093284 /nfs/dbraw/zinc/09/32/84/270093284.db2.gz XZIBUAZAWPVGDT-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000321957086 270093285 /nfs/dbraw/zinc/09/32/85/270093285.db2.gz XZIBUAZAWPVGDT-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000459379688 270096152 /nfs/dbraw/zinc/09/61/52/270096152.db2.gz ALQNQSUFZYRAGC-GOSISDBHSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000459379688 270096153 /nfs/dbraw/zinc/09/61/53/270096153.db2.gz ALQNQSUFZYRAGC-GOSISDBHSA-N 2 2 297.446 3.450 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000527355014 270127482 /nfs/dbraw/zinc/12/74/82/270127482.db2.gz AOGFIKYJRABARE-KGLIPLIRSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000527355014 270127483 /nfs/dbraw/zinc/12/74/83/270127483.db2.gz AOGFIKYJRABARE-KGLIPLIRSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000527359068 270127652 /nfs/dbraw/zinc/12/76/52/270127652.db2.gz GCMHOBDPEXDZJU-MYZZLAAOSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000527359068 270127653 /nfs/dbraw/zinc/12/76/53/270127653.db2.gz GCMHOBDPEXDZJU-MYZZLAAOSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527644562 270130682 /nfs/dbraw/zinc/13/06/82/270130682.db2.gz ISHVFCPZMOSFNF-COXVUDFISA-N 2 2 281.403 3.397 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807169 270137048 /nfs/dbraw/zinc/13/70/48/270137048.db2.gz NDCHLIMPFADZQO-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807169 270137049 /nfs/dbraw/zinc/13/70/49/270137049.db2.gz NDCHLIMPFADZQO-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527877464 270141425 /nfs/dbraw/zinc/14/14/25/270141425.db2.gz ZUFYFMBAXNJKKQ-DAYGRLMNSA-N 2 2 299.462 3.385 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)ccn1 ZINC000527931729 270145189 /nfs/dbraw/zinc/14/51/89/270145189.db2.gz WHGLIWVYFZDAGV-KURKYZTESA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944388 270146201 /nfs/dbraw/zinc/14/62/01/270146201.db2.gz CZUKJARDECAAFK-WMLDXEAASA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944388 270146202 /nfs/dbraw/zinc/14/62/02/270146202.db2.gz CZUKJARDECAAFK-WMLDXEAASA-N 2 2 276.424 3.207 20 0 CGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)nc1 ZINC000527964546 270147491 /nfs/dbraw/zinc/14/74/91/270147491.db2.gz LJJXKJXCNGDGSM-SFHVURJKSA-N 2 2 285.435 3.139 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527999149 270149778 /nfs/dbraw/zinc/14/97/78/270149778.db2.gz FNSYSZSQEAPGEE-GDBMZVCRSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527999149 270149779 /nfs/dbraw/zinc/14/97/79/270149779.db2.gz FNSYSZSQEAPGEE-GDBMZVCRSA-N 2 2 274.408 3.264 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387194 270163291 /nfs/dbraw/zinc/16/32/91/270163291.db2.gz LGSLEKWCSTYDMD-CQSZACIVSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387194 270163292 /nfs/dbraw/zinc/16/32/92/270163292.db2.gz LGSLEKWCSTYDMD-CQSZACIVSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529623924 270186188 /nfs/dbraw/zinc/18/61/88/270186188.db2.gz WRVDFYRUNHEQEM-CHWSQXEVSA-N 2 2 274.399 3.130 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000530222218 270196524 /nfs/dbraw/zinc/19/65/24/270196524.db2.gz QYADVEMKXBGLDK-JKSUJKDBSA-N 2 2 274.408 3.021 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cnc2ccsc2c1 ZINC000530219634 270196309 /nfs/dbraw/zinc/19/63/09/270196309.db2.gz MDJOHYRJWODKHI-XHDPSFHLSA-N 2 2 287.432 3.232 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530217669 270196312 /nfs/dbraw/zinc/19/63/12/270196312.db2.gz VDXWXKODPOQBPY-HUUCEWRRSA-N 2 2 262.372 3.151 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000531735596 270209248 /nfs/dbraw/zinc/20/92/48/270209248.db2.gz GXAMKEDEAFQUFF-HLLBOEOZSA-N 2 2 290.451 3.212 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000531735596 270209249 /nfs/dbraw/zinc/20/92/49/270209249.db2.gz GXAMKEDEAFQUFF-HLLBOEOZSA-N 2 2 290.451 3.212 20 0 CGADLP c1cn(CCC[NH2+][C@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000531932310 270211038 /nfs/dbraw/zinc/21/10/38/270211038.db2.gz ITVJCQBYTVDWKQ-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531951762 270211152 /nfs/dbraw/zinc/21/11/52/270211152.db2.gz UJBCTZNAHQUABV-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531951762 270211153 /nfs/dbraw/zinc/21/11/53/270211153.db2.gz UJBCTZNAHQUABV-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531984700 270212373 /nfs/dbraw/zinc/21/23/73/270212373.db2.gz RERUBFLLNFRDGJ-KBPBESRZSA-N 2 2 278.465 3.401 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531984700 270212374 /nfs/dbraw/zinc/21/23/74/270212374.db2.gz RERUBFLLNFRDGJ-KBPBESRZSA-N 2 2 278.465 3.401 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000532231022 270214534 /nfs/dbraw/zinc/21/45/34/270214534.db2.gz DUOMNABBGQYYAN-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000532230921 270214539 /nfs/dbraw/zinc/21/45/39/270214539.db2.gz IJJBYUCUMWZYPQ-CHWSQXEVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479559004 274343244 /nfs/dbraw/zinc/34/32/44/274343244.db2.gz SNFBRUIWCHIFNQ-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479559004 274343245 /nfs/dbraw/zinc/34/32/45/274343245.db2.gz SNFBRUIWCHIFNQ-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498190 274366723 /nfs/dbraw/zinc/36/67/23/274366723.db2.gz HMZXNBLJIJGGMB-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443498190 274366726 /nfs/dbraw/zinc/36/67/26/274366726.db2.gz HMZXNBLJIJGGMB-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000360044032 274500608 /nfs/dbraw/zinc/50/06/08/274500608.db2.gz BBIQNJDCYKHDCZ-ZBFHGGJFSA-N 2 2 297.402 3.308 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124149252 275065589 /nfs/dbraw/zinc/06/55/89/275065589.db2.gz LORDUIFGNOYDFG-MRXNPFEDSA-N 2 2 297.402 3.311 20 0 CGADLP c1cc2[nH+]ccc(N3CC[NH+](C4CCCC4)CC3)c2s1 ZINC000301351823 275065920 /nfs/dbraw/zinc/06/59/20/275065920.db2.gz KJQWQRHJDIUVRA-UHFFFAOYSA-N 2 2 287.432 3.361 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453068895 275391195 /nfs/dbraw/zinc/39/11/95/275391195.db2.gz JYQPHIALRFPADU-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428402818 275737992 /nfs/dbraw/zinc/73/79/92/275737992.db2.gz IXTAULBWMXKXTN-QGZVFWFLSA-N 2 2 283.419 3.154 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000072857936 276074880 /nfs/dbraw/zinc/07/48/80/276074880.db2.gz XNCKDPSMKFMKJJ-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000072857936 276074881 /nfs/dbraw/zinc/07/48/81/276074881.db2.gz XNCKDPSMKFMKJJ-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000072857936 276074882 /nfs/dbraw/zinc/07/48/82/276074882.db2.gz XNCKDPSMKFMKJJ-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000072857936 276074883 /nfs/dbraw/zinc/07/48/83/276074883.db2.gz XNCKDPSMKFMKJJ-CYBMUJFWSA-N 2 2 298.377 3.062 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000338294627 276096567 /nfs/dbraw/zinc/09/65/67/276096567.db2.gz KGWMGPSCAJNBJR-AWEZNQCLSA-N 2 2 296.405 3.486 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000338294627 276096569 /nfs/dbraw/zinc/09/65/69/276096569.db2.gz KGWMGPSCAJNBJR-AWEZNQCLSA-N 2 2 296.405 3.486 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019960615 276174227 /nfs/dbraw/zinc/17/42/27/276174227.db2.gz YLPIVZAUKAWSAF-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019960615 276174229 /nfs/dbraw/zinc/17/42/29/276174229.db2.gz YLPIVZAUKAWSAF-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423376547 276270790 /nfs/dbraw/zinc/27/07/90/276270790.db2.gz JMNQCHRYYPSJCO-COXVUDFISA-N 2 2 260.425 3.459 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414061663 276373524 /nfs/dbraw/zinc/37/35/24/276373524.db2.gz KRKALTUDIHHWIS-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414061663 276373525 /nfs/dbraw/zinc/37/35/25/276373525.db2.gz KRKALTUDIHHWIS-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278591815 287899668 /nfs/dbraw/zinc/89/96/68/287899668.db2.gz ZPTHSAWEPJQMPX-LSDHHAIUSA-N 2 2 292.492 3.459 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423461654 276580396 /nfs/dbraw/zinc/58/03/96/276580396.db2.gz JZZFNKRGVKJSJA-QXEWZRGKSA-N 2 2 256.440 3.000 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337505371 276801203 /nfs/dbraw/zinc/80/12/03/276801203.db2.gz FFJQCCDNHQSYAS-IRXDYDNUSA-N 2 2 272.436 3.082 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000365052124 276805608 /nfs/dbraw/zinc/80/56/08/276805608.db2.gz GHMZPUFBNIVCNO-KZNAEPCWSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000338779746 277360035 /nfs/dbraw/zinc/36/00/35/277360035.db2.gz LJNSVABMBXWHTD-HUUCEWRRSA-N 2 2 261.413 3.002 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435390 277733783 /nfs/dbraw/zinc/73/37/83/277733783.db2.gz BRZKVORIGGHXSY-KDOFPFPSSA-N 2 2 299.418 3.085 20 0 CGADLP CC1(C)CC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000395168691 288006818 /nfs/dbraw/zinc/00/68/18/288006818.db2.gz FPEJHKGCORGAMY-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000395168691 288006820 /nfs/dbraw/zinc/00/68/20/288006820.db2.gz FPEJHKGCORGAMY-KRWDZBQOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000395170497 288006841 /nfs/dbraw/zinc/00/68/41/288006841.db2.gz HKHCMLCTRXMOKL-ZBFHGGJFSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000395170497 288006844 /nfs/dbraw/zinc/00/68/44/288006844.db2.gz HKHCMLCTRXMOKL-ZBFHGGJFSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395304153 288007879 /nfs/dbraw/zinc/00/78/79/288007879.db2.gz SWYAGOVHIUDLGT-WMLDXEAASA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395304153 288007881 /nfs/dbraw/zinc/00/78/81/288007881.db2.gz SWYAGOVHIUDLGT-WMLDXEAASA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000397411555 288023482 /nfs/dbraw/zinc/02/34/82/288023482.db2.gz OYBVQGPMBBXPTQ-XQQFMLRXSA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000397411555 288023486 /nfs/dbraw/zinc/02/34/86/288023486.db2.gz OYBVQGPMBBXPTQ-XQQFMLRXSA-N 2 2 281.469 3.072 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000400530846 278268184 /nfs/dbraw/zinc/26/81/84/278268184.db2.gz RPXYETVUQVOJCD-MJVIPROJSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397836308 288032116 /nfs/dbraw/zinc/03/21/16/288032116.db2.gz OTQKHUWGLABBKF-IPYPFGDCSA-N 2 2 287.432 3.417 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000397950807 288036265 /nfs/dbraw/zinc/03/62/65/288036265.db2.gz ZJVSSIIEXFDNSA-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000474929946 278410268 /nfs/dbraw/zinc/41/02/68/278410268.db2.gz WTLPXWVEWLTGPB-DZKIICNBSA-N 2 2 275.440 3.392 20 0 CGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC000481957608 288048114 /nfs/dbraw/zinc/04/81/14/288048114.db2.gz GMYOVJIZXVRMOU-OKZBNKHCSA-N 2 2 290.451 3.002 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC000346791072 288066862 /nfs/dbraw/zinc/06/68/62/288066862.db2.gz GONLRLUPAUBQBT-VNQPRFMTSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC000346791072 288066864 /nfs/dbraw/zinc/06/68/64/288066864.db2.gz GONLRLUPAUBQBT-VNQPRFMTSA-N 2 2 276.424 3.219 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000459375262 288085780 /nfs/dbraw/zinc/08/57/80/288085780.db2.gz YRUPDQMHBFWEMM-QGZVFWFLSA-N 2 2 283.419 3.088 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000459375262 288085781 /nfs/dbraw/zinc/08/57/81/288085781.db2.gz YRUPDQMHBFWEMM-QGZVFWFLSA-N 2 2 283.419 3.088 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459541463 288095868 /nfs/dbraw/zinc/09/58/68/288095868.db2.gz WQRVPIFDNAVZAU-KRWDZBQOSA-N 2 2 287.407 3.054 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459541463 288095872 /nfs/dbraw/zinc/09/58/72/288095872.db2.gz WQRVPIFDNAVZAU-KRWDZBQOSA-N 2 2 287.407 3.054 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361665352 279014046 /nfs/dbraw/zinc/01/40/46/279014046.db2.gz WIQCGTRUQIJTBD-HACGYAERSA-N 2 2 299.393 3.423 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280439060 279275639 /nfs/dbraw/zinc/27/56/39/279275639.db2.gz CLXFLAHXRKOZNM-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280439060 279275640 /nfs/dbraw/zinc/27/56/40/279275640.db2.gz CLXFLAHXRKOZNM-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000156558637 279314622 /nfs/dbraw/zinc/31/46/22/279314622.db2.gz MHVRYPLFEQUWSZ-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000156558637 279314623 /nfs/dbraw/zinc/31/46/23/279314623.db2.gz MHVRYPLFEQUWSZ-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338786815 279360278 /nfs/dbraw/zinc/36/02/78/279360278.db2.gz NUYQPQDTRMFLOK-UAGQMJEPSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338786815 279360280 /nfs/dbraw/zinc/36/02/80/279360280.db2.gz NUYQPQDTRMFLOK-UAGQMJEPSA-N 2 2 260.425 3.108 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000517714166 288133110 /nfs/dbraw/zinc/13/31/10/288133110.db2.gz YQMNOGFDRMHRBA-CXAGYDPISA-N 2 2 286.444 3.156 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232016 281119852 /nfs/dbraw/zinc/11/98/52/281119852.db2.gz BSOKASVCARCBJY-ZWKOTPCHSA-N 2 2 296.414 3.498 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)CC2 ZINC000346802744 281125847 /nfs/dbraw/zinc/12/58/47/281125847.db2.gz UQFBQRLIHDIXLD-RRQGHBQHSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)CC2 ZINC000346802744 281125849 /nfs/dbraw/zinc/12/58/49/281125849.db2.gz UQFBQRLIHDIXLD-RRQGHBQHSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000349250664 281305590 /nfs/dbraw/zinc/30/55/90/281305590.db2.gz ZPSUNPMQBYFOOF-JKIFEVAISA-N 2 2 270.420 3.370 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000349250664 281305592 /nfs/dbraw/zinc/30/55/92/281305592.db2.gz ZPSUNPMQBYFOOF-JKIFEVAISA-N 2 2 270.420 3.370 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCC2 ZINC000531728951 288344452 /nfs/dbraw/zinc/34/44/52/288344452.db2.gz QXEUBUOJHJZAPF-KSSFIOAISA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCC2 ZINC000531728951 288344454 /nfs/dbraw/zinc/34/44/54/288344454.db2.gz QXEUBUOJHJZAPF-KSSFIOAISA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000532541050 288366577 /nfs/dbraw/zinc/36/65/77/288366577.db2.gz FEHCXLNLCZNNBF-VVDPLQPHSA-N 2 2 288.410 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000532541050 288366579 /nfs/dbraw/zinc/36/65/79/288366579.db2.gz FEHCXLNLCZNNBF-VVDPLQPHSA-N 2 2 288.410 3.131 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000537012304 288511926 /nfs/dbraw/zinc/51/19/26/288511926.db2.gz LDWYPFJWSROGHQ-IRXDYDNUSA-N 2 2 292.492 3.411 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128163 289036571 /nfs/dbraw/zinc/03/65/71/289036571.db2.gz DHQCJEPCVNIRBP-QWRGUYRKSA-N 2 2 266.351 3.037 20 0 CGADLP CC[C@@H]1C[N@H+](C)CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000549637837 289049414 /nfs/dbraw/zinc/04/94/14/289049414.db2.gz LWFLJABZCWBYCX-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC[C@@H]1C[N@@H+](C)CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000549637837 289049417 /nfs/dbraw/zinc/04/94/17/289049417.db2.gz LWFLJABZCWBYCX-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC[N@@H+]1C ZINC000346321867 289060450 /nfs/dbraw/zinc/06/04/50/289060450.db2.gz FJWMPPWXJXBJNG-DMRZNYOFSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC[N@H+]1C ZINC000346321867 289060452 /nfs/dbraw/zinc/06/04/52/289060452.db2.gz FJWMPPWXJXBJNG-DMRZNYOFSA-N 2 2 250.430 3.028 20 0 CGADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551267576 289106471 /nfs/dbraw/zinc/10/64/71/289106471.db2.gz DIKAHRPOCCIUBO-ROUUACIJSA-N 2 2 270.420 3.349 20 0 CGADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551267576 289106473 /nfs/dbraw/zinc/10/64/73/289106473.db2.gz DIKAHRPOCCIUBO-ROUUACIJSA-N 2 2 270.420 3.349 20 0 CGADLP Clc1sccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551582083 289124010 /nfs/dbraw/zinc/12/40/10/289124010.db2.gz BFALZFZKFADZDR-UHFFFAOYSA-N 2 2 281.812 3.224 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)[NH+](C)C ZINC000552226243 289173333 /nfs/dbraw/zinc/17/33/33/289173333.db2.gz ZTGNGGLYRDHFNM-GFCCVEGCSA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859525 289242220 /nfs/dbraw/zinc/24/22/20/289242220.db2.gz KMTRSJPHRIAHMV-WEOZKBJRSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859525 289242222 /nfs/dbraw/zinc/24/22/22/289242222.db2.gz KMTRSJPHRIAHMV-WEOZKBJRSA-N 2 2 286.463 3.425 20 0 CGADLP CC[NH+](CC)CCC[N@H+](Cc1ccccn1)C(C)C ZINC000554806826 289310034 /nfs/dbraw/zinc/31/00/34/289310034.db2.gz BAEQNEQZKSZWCA-UHFFFAOYSA-N 2 2 263.429 3.024 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](Cc1ccccn1)C(C)C ZINC000554806826 289310035 /nfs/dbraw/zinc/31/00/35/289310035.db2.gz BAEQNEQZKSZWCA-UHFFFAOYSA-N 2 2 263.429 3.024 20 0 CGADLP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000558254307 289482300 /nfs/dbraw/zinc/48/23/00/289482300.db2.gz AYCIJSJBTCCIQR-SQRWCISFSA-N 2 2 290.451 3.114 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000353614523 290025848 /nfs/dbraw/zinc/02/58/48/290025848.db2.gz XWTCFCWAVVSSMQ-XZDPQHSOSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000353614523 290025851 /nfs/dbraw/zinc/02/58/51/290025851.db2.gz XWTCFCWAVVSSMQ-XZDPQHSOSA-N 2 2 281.403 3.049 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346611396 294336334 /nfs/dbraw/zinc/33/63/34/294336334.db2.gz ZAPPWLNDSHHLOW-JZXOWHBKSA-N 2 2 292.467 3.156 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346611396 294336335 /nfs/dbraw/zinc/33/63/35/294336335.db2.gz ZAPPWLNDSHHLOW-JZXOWHBKSA-N 2 2 292.467 3.156 20 0 CGADLP Fc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000422873493 303136924 /nfs/dbraw/zinc/13/69/24/303136924.db2.gz LGFVMPXUJTWHPZ-XJKSGUPXSA-N 2 2 262.372 3.009 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCCC13CCCC3)CC2 ZINC000336040709 304859712 /nfs/dbraw/zinc/85/97/12/304859712.db2.gz AHXALDRQYXEGKG-GJZGRUSLSA-N 2 2 273.424 3.291 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000152250898 321696437 /nfs/dbraw/zinc/69/64/37/321696437.db2.gz QJAAPGMAPYRGQA-OAHLLOKOSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccsc2S1 ZINC000313279638 321959279 /nfs/dbraw/zinc/95/92/79/321959279.db2.gz HXPPQGVRIJJSCR-GXFFZTMASA-N 2 2 293.461 3.239 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563430137 321997449 /nfs/dbraw/zinc/99/74/49/321997449.db2.gz ADDDKVKZTFCMRX-DOMZBBRYSA-N 2 2 293.480 3.278 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000564429239 322030801 /nfs/dbraw/zinc/03/08/01/322030801.db2.gz OWLWXWVYOUUQIQ-HNNXBMFYSA-N 2 2 298.858 3.205 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000566171006 322108440 /nfs/dbraw/zinc/10/84/40/322108440.db2.gz XTQZYNNGSDPXGX-KDOFPFPSSA-N 2 2 290.451 3.099 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000566384728 322119805 /nfs/dbraw/zinc/11/98/05/322119805.db2.gz ZVNVNOLSDUDIRV-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000566384728 322119807 /nfs/dbraw/zinc/11/98/07/322119807.db2.gz ZVNVNOLSDUDIRV-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384728 322119809 /nfs/dbraw/zinc/11/98/09/322119809.db2.gz ZVNVNOLSDUDIRV-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566384728 322119810 /nfs/dbraw/zinc/11/98/10/322119810.db2.gz ZVNVNOLSDUDIRV-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1c(C)noc1C ZINC000567781676 322177544 /nfs/dbraw/zinc/17/75/44/322177544.db2.gz MSYOYPQVOZIHPF-HNNXBMFYSA-N 2 2 273.380 3.278 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000567825430 322179136 /nfs/dbraw/zinc/17/91/36/322179136.db2.gz LSAVYDKKIBWSIO-XHSDSOJGSA-N 2 2 263.429 3.468 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000567864003 322180777 /nfs/dbraw/zinc/18/07/77/322180777.db2.gz GJIHVYCAUGXFLW-VJANTYMQSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000567864003 322180779 /nfs/dbraw/zinc/18/07/79/322180779.db2.gz GJIHVYCAUGXFLW-VJANTYMQSA-N 2 2 284.447 3.397 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410626 322246529 /nfs/dbraw/zinc/24/65/29/322246529.db2.gz CLBLBZPWPSWMEA-LRDDRELGSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410626 322246531 /nfs/dbraw/zinc/24/65/31/322246531.db2.gz CLBLBZPWPSWMEA-LRDDRELGSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410626 322246532 /nfs/dbraw/zinc/24/65/32/322246532.db2.gz CLBLBZPWPSWMEA-LRDDRELGSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410626 322246534 /nfs/dbraw/zinc/24/65/34/322246534.db2.gz CLBLBZPWPSWMEA-LRDDRELGSA-N 2 2 296.842 3.121 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)n1C ZINC000570986941 322287246 /nfs/dbraw/zinc/28/72/46/322287246.db2.gz SFLHZXSMCURKEU-PIGZYNQJSA-N 2 2 287.382 3.281 20 0 CGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759359 322307067 /nfs/dbraw/zinc/30/70/67/322307067.db2.gz MPIDCSOBAQRCRN-QGZVFWFLSA-N 2 2 290.451 3.008 20 0 CGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759359 322307068 /nfs/dbraw/zinc/30/70/68/322307068.db2.gz MPIDCSOBAQRCRN-QGZVFWFLSA-N 2 2 290.451 3.008 20 0 CGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759359 322307070 /nfs/dbraw/zinc/30/70/70/322307070.db2.gz MPIDCSOBAQRCRN-QGZVFWFLSA-N 2 2 290.451 3.008 20 0 CGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759359 322307072 /nfs/dbraw/zinc/30/70/72/322307072.db2.gz MPIDCSOBAQRCRN-QGZVFWFLSA-N 2 2 290.451 3.008 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000571925077 322312255 /nfs/dbraw/zinc/31/22/55/322312255.db2.gz QBPLPAVHFJZBQH-UHFFFAOYSA-N 2 2 272.392 3.330 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000571925077 322312257 /nfs/dbraw/zinc/31/22/57/322312257.db2.gz QBPLPAVHFJZBQH-UHFFFAOYSA-N 2 2 272.392 3.330 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C(C)C)n1C ZINC000572663724 322349157 /nfs/dbraw/zinc/34/91/57/322349157.db2.gz UPKYMIWLEIZZJU-MRXNPFEDSA-N 2 2 257.381 3.215 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000572782535 322354797 /nfs/dbraw/zinc/35/47/97/322354797.db2.gz VXMQMJNYDQELRV-INIZCTEOSA-N 2 2 257.381 3.360 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](Cc2ccccc2)C(C)C)n1C ZINC000573021688 322366206 /nfs/dbraw/zinc/36/62/06/322366206.db2.gz HTJZNJQZJPFANA-QGZVFWFLSA-N 2 2 285.435 3.333 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCCC23CC3)ccc1-n1cc[nH+]c1 ZINC000575072821 322472203 /nfs/dbraw/zinc/47/22/03/322472203.db2.gz KNUCHFRMVFDMII-INIZCTEOSA-N 2 2 285.366 3.434 20 0 CGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc2ccccc2[nH+]1 ZINC000583683911 328901363 /nfs/dbraw/zinc/90/13/63/328901363.db2.gz OSFSVQVOLPYNLR-HFZWIWRYSA-N 2 2 267.376 3.163 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1sccc1Br ZINC000583257771 329403508 /nfs/dbraw/zinc/40/35/08/329403508.db2.gz ZVDVOKFYJNBLRK-MRVPVSSYSA-N 2 2 289.242 3.043 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000576100164 335153690 /nfs/dbraw/zinc/15/36/90/335153690.db2.gz SHNSLYVHQJKVEZ-CZUORRHYSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000576100164 335153691 /nfs/dbraw/zinc/15/36/91/335153691.db2.gz SHNSLYVHQJKVEZ-CZUORRHYSA-N 2 2 278.465 3.286 20 0 CGADLP Cc1cc(NC(=O)CCCC[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000576821586 335251767 /nfs/dbraw/zinc/25/17/67/335251767.db2.gz SXYVESHVTDULEZ-UHFFFAOYSA-N 2 2 299.374 3.250 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580604184 335300884 /nfs/dbraw/zinc/30/08/84/335300884.db2.gz NXOBWDGJXFXIOW-HNNXBMFYSA-N 2 2 299.418 3.236 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580604184 335300886 /nfs/dbraw/zinc/30/08/86/335300886.db2.gz NXOBWDGJXFXIOW-HNNXBMFYSA-N 2 2 299.418 3.236 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)n1C ZINC000577388319 335346908 /nfs/dbraw/zinc/34/69/08/335346908.db2.gz DMXFHDSHIIEHGY-VIFPVBQESA-N 2 2 281.762 3.372 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000177204930 335368068 /nfs/dbraw/zinc/36/80/68/335368068.db2.gz IRHRHZAQNZWAIX-CQSZACIVSA-N 2 2 271.408 3.435 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CC3)c(C)c2)CC1 ZINC000177234312 335368865 /nfs/dbraw/zinc/36/88/65/335368865.db2.gz UGMBPLKUGKSCSI-HNNXBMFYSA-N 2 2 287.451 3.347 20 0 CGADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000181604434 335773872 /nfs/dbraw/zinc/77/38/72/335773872.db2.gz GTANPTYVMYQDNA-OAHLLOKOSA-N 2 2 279.334 3.148 20 0 CGADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580924571 335984257 /nfs/dbraw/zinc/98/42/57/335984257.db2.gz BKSKNSKHLMQEMO-DYVFJYSZSA-N 2 2 294.402 3.088 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1Br ZINC000385231538 336142929 /nfs/dbraw/zinc/14/29/29/336142929.db2.gz SRVUEKHXLOERFT-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1Br ZINC000385231538 336142930 /nfs/dbraw/zinc/14/29/30/336142930.db2.gz SRVUEKHXLOERFT-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP CSCC1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000385892137 336160218 /nfs/dbraw/zinc/16/02/18/336160218.db2.gz ZKOLCBLVWDYSBM-PPWQZUPISA-N 2 2 282.497 3.123 20 0 CGADLP CSCC1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000385892137 336160220 /nfs/dbraw/zinc/16/02/20/336160220.db2.gz ZKOLCBLVWDYSBM-PPWQZUPISA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000386180454 336167480 /nfs/dbraw/zinc/16/74/80/336167480.db2.gz HNMPKPYFLPDEBR-MCIONIFRSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000386180454 336167481 /nfs/dbraw/zinc/16/74/81/336167481.db2.gz HNMPKPYFLPDEBR-MCIONIFRSA-N 2 2 252.446 3.416 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)oc21 ZINC000423371864 533912414 /nfs/dbraw/zinc/91/24/14/533912414.db2.gz VICSOZSYYIJQFT-SGMGOOAPSA-N 2 2 288.391 3.090 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414069519 533932948 /nfs/dbraw/zinc/93/29/48/533932948.db2.gz KNAGCASOKITQAJ-VNHYZAJKSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)s1 ZINC000423355461 533992754 /nfs/dbraw/zinc/99/27/54/533992754.db2.gz FNVPVLQTXIEIHK-LPEHRKFASA-N 2 2 258.818 3.050 20 0 CGADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000368093271 533994616 /nfs/dbraw/zinc/99/46/16/533994616.db2.gz PXBRDAKFUNGBJH-OAHLLOKOSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC000437782815 534123208 /nfs/dbraw/zinc/12/32/08/534123208.db2.gz HDVYFIJRBSPOHT-OIISXLGYSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449132300 534267122 /nfs/dbraw/zinc/26/71/22/534267122.db2.gz UAKWDEGEHQZPHQ-ZFWWWQNUSA-N 2 2 284.403 3.190 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449132300 534267125 /nfs/dbraw/zinc/26/71/25/534267125.db2.gz UAKWDEGEHQZPHQ-ZFWWWQNUSA-N 2 2 284.403 3.190 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000102425383 518447280 /nfs/dbraw/zinc/44/72/80/518447280.db2.gz FXZQLGFTPKZVPZ-KMPOOHAWSA-N 2 2 269.392 3.212 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000449399793 534438605 /nfs/dbraw/zinc/43/86/05/534438605.db2.gz DKOPRFLIMWSCDP-SPUZQDLCSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000449399793 534438609 /nfs/dbraw/zinc/43/86/09/534438609.db2.gz DKOPRFLIMWSCDP-SPUZQDLCSA-N 2 2 272.436 3.110 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423235631 534481185 /nfs/dbraw/zinc/48/11/85/534481185.db2.gz GTCXJVDYHGJINI-OCCSQVGLSA-N 2 2 260.406 3.407 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)nc1 ZINC000423359139 534495438 /nfs/dbraw/zinc/49/54/38/534495438.db2.gz KJSNYTNGKSVSFP-SJLPKXTDSA-N 2 2 299.393 3.042 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427859228 534496288 /nfs/dbraw/zinc/49/62/88/534496288.db2.gz VOILQTUVWBOUTA-DOTOQJQBSA-N 2 2 285.366 3.078 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000366229314 534511174 /nfs/dbraw/zinc/51/11/74/534511174.db2.gz IDHGSEATBYYSPA-ZIAGYGMSSA-N 2 2 273.380 3.321 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H](C3CC3)C1)CCCC2 ZINC000367438685 534538383 /nfs/dbraw/zinc/53/83/83/534538383.db2.gz OPSAGHONIDVGAB-HUUCEWRRSA-N 2 2 273.424 3.278 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000423260164 534544856 /nfs/dbraw/zinc/54/48/56/534544856.db2.gz GSVQQYNOXZBIGS-MFKMUULPSA-N 2 2 267.442 3.010 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC000156576123 522086409 /nfs/dbraw/zinc/08/64/09/522086409.db2.gz GFQHRIAUYCWNNT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000156576123 522086416 /nfs/dbraw/zinc/08/64/16/522086416.db2.gz GFQHRIAUYCWNNT-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062476 522754262 /nfs/dbraw/zinc/75/42/62/522754262.db2.gz IYHISARURGGOSY-WWGRRREGSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062476 522754272 /nfs/dbraw/zinc/75/42/72/522754272.db2.gz IYHISARURGGOSY-WWGRRREGSA-N 2 2 264.388 3.349 20 0 CGADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1F ZINC000449010294 534700998 /nfs/dbraw/zinc/70/09/98/534700998.db2.gz RZWLLPQJVDMBJK-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1F ZINC000449010294 534701002 /nfs/dbraw/zinc/70/10/02/534701002.db2.gz RZWLLPQJVDMBJK-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)[C@@H]1C[NH3+] ZINC000156092739 524096224 /nfs/dbraw/zinc/09/62/24/524096224.db2.gz LORUGZCLUZRDCW-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@@H]1C[NH3+] ZINC000156092739 524096232 /nfs/dbraw/zinc/09/62/32/524096232.db2.gz LORUGZCLUZRDCW-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151523400 525418348 /nfs/dbraw/zinc/41/83/48/525418348.db2.gz CTOBKUPBRFSPNQ-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1 ZINC000184294099 526215662 /nfs/dbraw/zinc/21/56/62/526215662.db2.gz JKFIWFQXGDITSZ-INIZCTEOSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1 ZINC000184294099 526215663 /nfs/dbraw/zinc/21/56/63/526215663.db2.gz JKFIWFQXGDITSZ-INIZCTEOSA-N 2 2 283.419 3.173 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868097 527806520 /nfs/dbraw/zinc/80/65/20/527806520.db2.gz QETSSNKIAUSUMJ-QXSJWSMHSA-N 2 2 275.440 3.248 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000437100506 527975377 /nfs/dbraw/zinc/97/53/77/527975377.db2.gz VIMFIJYITXWXMN-DSLXNQLJSA-N 2 2 286.463 3.328 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000437100506 527975381 /nfs/dbraw/zinc/97/53/81/527975381.db2.gz VIMFIJYITXWXMN-DSLXNQLJSA-N 2 2 286.463 3.328 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000157429378 528204413 /nfs/dbraw/zinc/20/44/13/528204413.db2.gz XSXKRMQXGHSZAV-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423444194 528225885 /nfs/dbraw/zinc/22/58/85/528225885.db2.gz XOJCORGNUSBGOB-RBUKOAKNSA-N 2 2 295.430 3.399 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423236528 528225931 /nfs/dbraw/zinc/22/59/31/528225931.db2.gz HMJOLILBYKBUPD-IRXDYDNUSA-N 2 2 269.392 3.212 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000423390994 528421588 /nfs/dbraw/zinc/42/15/88/528421588.db2.gz WUCFIYLUIDQIFM-KGLIPLIRSA-N 2 2 294.439 3.133 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000423378380 528423323 /nfs/dbraw/zinc/42/33/23/528423323.db2.gz KXGZADTZNPHPLT-CHWSQXEVSA-N 2 2 266.454 3.447 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423371837 528423940 /nfs/dbraw/zinc/42/39/40/528423940.db2.gz FVTLYLNGFJEYJB-GHMZBOCLSA-N 2 2 274.330 3.354 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423312922 528512390 /nfs/dbraw/zinc/51/23/90/528512390.db2.gz SXGUJOYAZBVRRG-VIFPVBQESA-N 2 2 291.258 3.161 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000423306663 528512909 /nfs/dbraw/zinc/51/29/09/528512909.db2.gz FLCHQTPDXNHNAG-HNNXBMFYSA-N 2 2 264.413 3.044 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423318715 528515593 /nfs/dbraw/zinc/51/55/93/528515593.db2.gz ZGEKSQSOSKJTBM-LLVKDONJSA-N 2 2 274.330 3.356 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423310136 528517501 /nfs/dbraw/zinc/51/75/01/528517501.db2.gz MVBSPXQNLFTDFN-INIZCTEOSA-N 2 2 264.413 3.409 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000414755587 528552823 /nfs/dbraw/zinc/55/28/23/528552823.db2.gz HQFJCJKHYUIGDC-SDDRHHMPSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000414755587 528552829 /nfs/dbraw/zinc/55/28/29/528552829.db2.gz HQFJCJKHYUIGDC-SDDRHHMPSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436251474 528824588 /nfs/dbraw/zinc/82/45/88/528824588.db2.gz IXJYOENTGBWPHC-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436251474 528824593 /nfs/dbraw/zinc/82/45/93/528824593.db2.gz IXJYOENTGBWPHC-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423287714 528951153 /nfs/dbraw/zinc/95/11/53/528951153.db2.gz NZPSDBYKRXNUCR-AWEZNQCLSA-N 2 2 284.831 3.135 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423281413 528951848 /nfs/dbraw/zinc/95/18/48/528951848.db2.gz BHNJNCSWNSCZKO-CYBMUJFWSA-N 2 2 268.351 3.059 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143837 529050287 /nfs/dbraw/zinc/05/02/87/529050287.db2.gz GMMQHMSAKZMPGQ-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143837 529050294 /nfs/dbraw/zinc/05/02/94/529050294.db2.gz GMMQHMSAKZMPGQ-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000358931927 529117559 /nfs/dbraw/zinc/11/75/59/529117559.db2.gz JNSMODWCCCZBOZ-INIZCTEOSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423400218 529122612 /nfs/dbraw/zinc/12/26/12/529122612.db2.gz WVTRWHMLOGQRAF-HOTGVXAUSA-N 2 2 275.440 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423233437 529179029 /nfs/dbraw/zinc/17/90/29/529179029.db2.gz JVYPLSARKJIIJV-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000368105122 529208059 /nfs/dbraw/zinc/20/80/59/529208059.db2.gz OJPHGALQQVNENF-DZGCQCFKSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000368105122 529208062 /nfs/dbraw/zinc/20/80/62/529208062.db2.gz OJPHGALQQVNENF-DZGCQCFKSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCO1 ZINC000449166105 529329237 /nfs/dbraw/zinc/32/92/37/529329237.db2.gz BUGUSOCADCITTR-QAPCUYQASA-N 2 2 299.418 3.228 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414837659 529360827 /nfs/dbraw/zinc/36/08/27/529360827.db2.gz UUMFCEYZYFTGRP-CRAIPNDOSA-N 2 2 268.404 3.470 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000482164633 535431884 /nfs/dbraw/zinc/43/18/84/535431884.db2.gz PDSDSGNVKXRTTA-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000482164633 535431887 /nfs/dbraw/zinc/43/18/87/535431887.db2.gz PDSDSGNVKXRTTA-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000482164633 535431890 /nfs/dbraw/zinc/43/18/90/535431890.db2.gz PDSDSGNVKXRTTA-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000482164633 535431894 /nfs/dbraw/zinc/43/18/94/535431894.db2.gz PDSDSGNVKXRTTA-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC000494322828 535448655 /nfs/dbraw/zinc/44/86/55/535448655.db2.gz MGFFHYCQNNDMOQ-UHFFFAOYSA-N 2 2 295.496 3.448 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494808 535781333 /nfs/dbraw/zinc/78/13/33/535781333.db2.gz JWULHNZRFYVZPR-DZGCQCFKSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494808 535781337 /nfs/dbraw/zinc/78/13/37/535781337.db2.gz JWULHNZRFYVZPR-DZGCQCFKSA-N 2 2 252.446 3.133 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201133 536464817 /nfs/dbraw/zinc/46/48/17/536464817.db2.gz MDQLIHPHDFDTLI-QAPCUYQASA-N 2 2 296.414 3.473 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201133 536464818 /nfs/dbraw/zinc/46/48/18/536464818.db2.gz MDQLIHPHDFDTLI-QAPCUYQASA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201133 536464819 /nfs/dbraw/zinc/46/48/19/536464819.db2.gz MDQLIHPHDFDTLI-QAPCUYQASA-N 2 2 296.414 3.473 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)[C@H]2C1 ZINC000495201133 536464823 /nfs/dbraw/zinc/46/48/23/536464823.db2.gz MDQLIHPHDFDTLI-QAPCUYQASA-N 2 2 296.414 3.473 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000517369902 536750361 /nfs/dbraw/zinc/75/03/61/536750361.db2.gz CFBAQFFTHHKWOT-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000517369902 536750366 /nfs/dbraw/zinc/75/03/66/536750366.db2.gz CFBAQFFTHHKWOT-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c2ccccc2n1 ZINC000261598587 572344705 /nfs/dbraw/zinc/34/47/05/572344705.db2.gz QQTBEXJHCUTZHI-CJNGLKHVSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c2ccccc2n1 ZINC000261598587 572344708 /nfs/dbraw/zinc/34/47/08/572344708.db2.gz QQTBEXJHCUTZHI-CJNGLKHVSA-N 2 2 283.419 3.102 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403940 572750616 /nfs/dbraw/zinc/75/06/16/572750616.db2.gz BHAUUJIYWHMSDF-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@H]1C ZINC000744403940 572750618 /nfs/dbraw/zinc/75/06/18/572750618.db2.gz BHAUUJIYWHMSDF-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CSC(C)(C)C ZINC000797116492 629890982 /nfs/dbraw/zinc/89/09/82/629890982.db2.gz ZXOSWUOAPFGFBD-KGLIPLIRSA-N 2 2 272.502 3.371 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)[NH+]1CCCCC1 ZINC000806130797 617834536 /nfs/dbraw/zinc/83/45/36/617834536.db2.gz DGLDAHLPJRQYGW-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846109450 618071260 /nfs/dbraw/zinc/07/12/60/618071260.db2.gz JKBLJVFLRSNPJO-WZRBSPASSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846109450 618071266 /nfs/dbraw/zinc/07/12/66/618071266.db2.gz JKBLJVFLRSNPJO-WZRBSPASSA-N 2 2 291.266 3.033 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000891842703 618332149 /nfs/dbraw/zinc/33/21/49/618332149.db2.gz QTVDSJZXROENLZ-UHFFFAOYSA-N 2 2 298.434 3.314 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)no1)C[NH+](C)C ZINC000926476119 618703608 /nfs/dbraw/zinc/70/36/08/618703608.db2.gz YGWQJZCYNVSOQE-ZIAGYGMSSA-N 2 2 287.407 3.190 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000892454659 618789746 /nfs/dbraw/zinc/78/97/46/618789746.db2.gz PMKGNIUCSQZYQR-UHFFFAOYSA-N 2 2 264.413 3.069 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924540693 618809126 /nfs/dbraw/zinc/80/91/26/618809126.db2.gz XVUYNAVRZOKKJQ-SFHVURJKSA-N 2 2 283.419 3.021 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892565286 618864195 /nfs/dbraw/zinc/86/41/95/618864195.db2.gz GJBLOAGJAXAOIB-JTQLQIEISA-N 2 2 283.297 3.138 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc1C ZINC000892591332 618868910 /nfs/dbraw/zinc/86/89/10/618868910.db2.gz FFWYFNRJCHPEKZ-BETUJISGSA-N 2 2 295.496 3.218 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sc1C ZINC000892591332 618868911 /nfs/dbraw/zinc/86/89/11/618868911.db2.gz FFWYFNRJCHPEKZ-BETUJISGSA-N 2 2 295.496 3.218 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000161608163 618873132 /nfs/dbraw/zinc/87/31/32/618873132.db2.gz IQLZLUASRARMKJ-GFCCVEGCSA-N 2 2 281.831 3.260 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892633384 618881186 /nfs/dbraw/zinc/88/11/86/618881186.db2.gz UNFOJDVMGJBNCF-UHFFFAOYSA-N 2 2 296.842 3.398 20 0 CGADLP COC1CCC(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000892648545 618886955 /nfs/dbraw/zinc/88/69/55/618886955.db2.gz DYRCMARONFNPLG-GPANFISMSA-N 2 2 293.455 3.093 20 0 CGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)sc1C ZINC000893202025 619027203 /nfs/dbraw/zinc/02/72/03/619027203.db2.gz XWKPIIVVMSFTIZ-OAHLLOKOSA-N 2 2 295.496 3.218 20 0 CGADLP Cc1nc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)sc1C ZINC000893202025 619027205 /nfs/dbraw/zinc/02/72/05/619027205.db2.gz XWKPIIVVMSFTIZ-OAHLLOKOSA-N 2 2 295.496 3.218 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(OC)cc2F)CC1 ZINC000925760596 619223027 /nfs/dbraw/zinc/22/30/27/619223027.db2.gz YZSCIBSNRBEZDU-GFCCVEGCSA-N 2 2 280.387 3.099 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)c1ccccc1 ZINC000925057319 619513349 /nfs/dbraw/zinc/51/33/49/619513349.db2.gz FRIXVQIVMFAKJH-WBTNSWJXSA-N 2 2 290.451 3.129 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)o1 ZINC000897981392 620462076 /nfs/dbraw/zinc/46/20/76/620462076.db2.gz LJDPANNUGIPSQF-UHFFFAOYSA-N 2 2 262.397 3.003 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)c[nH+]1 ZINC000924729724 620580437 /nfs/dbraw/zinc/58/04/37/620580437.db2.gz AQYAAGKEIFFYTD-AEFFLSMTSA-N 2 2 298.434 3.059 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431495 621316454 /nfs/dbraw/zinc/31/64/54/621316454.db2.gz FPXTZKLYSYZFJH-CAOSSQGBSA-N 2 2 258.409 3.025 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000902435818 621318267 /nfs/dbraw/zinc/31/82/67/621318267.db2.gz VJGBROLTEGHWHP-CTHBEMJXSA-N 2 2 298.352 3.322 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902483549 621352459 /nfs/dbraw/zinc/35/24/59/621352459.db2.gz RKFUWFOEBVQJJY-CVEARBPZSA-N 2 2 261.413 3.045 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725211 621412657 /nfs/dbraw/zinc/41/26/57/621412657.db2.gz RUXDLRPHLSMVFN-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725211 621412666 /nfs/dbraw/zinc/41/26/66/621412666.db2.gz RUXDLRPHLSMVFN-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902836364 621467462 /nfs/dbraw/zinc/46/74/62/621467462.db2.gz GTKMHQWNKKLBLS-CJNGLKHVSA-N 2 2 287.432 3.419 20 0 CGADLP CC[C@H](O)CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871873 621475382 /nfs/dbraw/zinc/47/53/82/621475382.db2.gz AMVVQLYAGAPVPJ-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903015273 621519029 /nfs/dbraw/zinc/51/90/29/621519029.db2.gz FGXJLCJXGPQHIN-KYJSFNMBSA-N 2 2 299.418 3.479 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063973 621551628 /nfs/dbraw/zinc/55/16/28/621551628.db2.gz KMXXELJVCMOOHP-JKSUJKDBSA-N 2 2 299.418 3.340 20 0 CGADLP C1CCC2(C1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000903199599 621624147 /nfs/dbraw/zinc/62/41/47/621624147.db2.gz FPIMXIAZWICOSI-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000903199599 621624151 /nfs/dbraw/zinc/62/41/51/621624151.db2.gz FPIMXIAZWICOSI-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903221860 621633602 /nfs/dbraw/zinc/63/36/02/621633602.db2.gz UYZXBXIOXAVMKS-XDNAFOTISA-N 2 2 281.403 3.403 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000903244464 621636517 /nfs/dbraw/zinc/63/65/17/621636517.db2.gz VXFCXKOZRGEBCA-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000903244464 621636519 /nfs/dbraw/zinc/63/65/19/621636519.db2.gz VXFCXKOZRGEBCA-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903331301 621705664 /nfs/dbraw/zinc/70/56/64/621705664.db2.gz MDTSRZRNEXMIQM-KGLIPLIRSA-N 2 2 287.407 3.336 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cn2)CCC1 ZINC000903812474 621814841 /nfs/dbraw/zinc/81/48/41/621814841.db2.gz TZRSEIAJGRLDHH-OAHLLOKOSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cn2)CCC1 ZINC000903812474 621814843 /nfs/dbraw/zinc/81/48/43/621814843.db2.gz TZRSEIAJGRLDHH-OAHLLOKOSA-N 2 2 293.842 3.219 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)s1 ZINC000903820061 621815338 /nfs/dbraw/zinc/81/53/38/621815338.db2.gz SHDPAOQIMRAZAA-HZPDHXFCSA-N 2 2 272.417 3.079 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858866 621821782 /nfs/dbraw/zinc/82/17/82/621821782.db2.gz JQJHRGXSVBRWSD-MAUKXSAKSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858866 621821784 /nfs/dbraw/zinc/82/17/84/621821784.db2.gz JQJHRGXSVBRWSD-MAUKXSAKSA-N 2 2 287.451 3.081 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903872556 621824762 /nfs/dbraw/zinc/82/47/62/621824762.db2.gz GXKFYXXZDBEWGT-CQSZACIVSA-N 2 2 270.367 3.224 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903872556 621824764 /nfs/dbraw/zinc/82/47/64/621824764.db2.gz GXKFYXXZDBEWGT-CQSZACIVSA-N 2 2 270.367 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cccc(O)c1 ZINC000904368497 621914387 /nfs/dbraw/zinc/91/43/87/621914387.db2.gz KCCUTGYHWFFNNL-OCCSQVGLSA-N 2 2 264.413 3.196 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnc(Cl)c1 ZINC000163833743 622804266 /nfs/dbraw/zinc/80/42/66/622804266.db2.gz ABWXJVRHUNLOOF-LBPRGKRZSA-N 2 2 290.798 3.283 20 0 CGADLP CC(C)(C)CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000061839495 623183163 /nfs/dbraw/zinc/18/31/63/623183163.db2.gz QZOUJFNGWYRVCN-CYBMUJFWSA-N 2 2 251.418 3.324 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@]1(C)CCC[NH2+]C1 ZINC000062862370 623270464 /nfs/dbraw/zinc/27/04/64/623270464.db2.gz AMTKMUWOKSQKFL-OAHLLOKOSA-N 2 2 266.816 3.162 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@]1(C)CCC[NH2+]C1 ZINC000062862370 623270473 /nfs/dbraw/zinc/27/04/73/623270473.db2.gz AMTKMUWOKSQKFL-OAHLLOKOSA-N 2 2 266.816 3.162 20 0 CGADLP CC(C)C1CC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000232539704 623397961 /nfs/dbraw/zinc/39/79/61/623397961.db2.gz UEUKDEYCPOIEKE-YMAMQOFZSA-N 2 2 263.429 3.322 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000232741888 623515636 /nfs/dbraw/zinc/51/56/36/623515636.db2.gz JJAYERKBBMPSHG-GJZGRUSLSA-N 2 2 266.816 3.379 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182633515 625022646 /nfs/dbraw/zinc/02/26/46/625022646.db2.gz KYRNYMCAUFHRSB-HUUCEWRRSA-N 2 2 275.440 3.285 20 0 CGADLP CCc1onc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922987969 626116148 /nfs/dbraw/zinc/11/61/48/626116148.db2.gz MTNAMLPKBMVJKP-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286980 626142801 /nfs/dbraw/zinc/14/28/01/626142801.db2.gz BZHNYBYPZPRZKX-YPMHNXCESA-N 2 2 295.496 3.308 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286980 626142804 /nfs/dbraw/zinc/14/28/04/626142804.db2.gz BZHNYBYPZPRZKX-YPMHNXCESA-N 2 2 295.496 3.308 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1csc2ccccc12 ZINC000754737102 626585593 /nfs/dbraw/zinc/58/55/93/626585593.db2.gz WWGZDZBHXZOTGC-LBPRGKRZSA-N 2 2 271.389 3.449 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000766002457 627286230 /nfs/dbraw/zinc/28/62/30/627286230.db2.gz LPCALGIQZRZDEV-NSHDSACASA-N 2 2 279.428 3.205 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000766270188 627308585 /nfs/dbraw/zinc/30/85/85/627308585.db2.gz PAZIJYNTDIWPHR-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000766270188 627308590 /nfs/dbraw/zinc/30/85/90/627308590.db2.gz PAZIJYNTDIWPHR-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000766273092 627310151 /nfs/dbraw/zinc/31/01/51/627310151.db2.gz NCIPQZMCEQPDFB-YOEHRIQHSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC)cc1 ZINC000766273092 627310154 /nfs/dbraw/zinc/31/01/54/627310154.db2.gz NCIPQZMCEQPDFB-YOEHRIQHSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000766271825 627310441 /nfs/dbraw/zinc/31/04/41/627310441.db2.gz VMPYVZDWGFBGLV-YOEHRIQHSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000766271825 627310442 /nfs/dbraw/zinc/31/04/42/627310442.db2.gz VMPYVZDWGFBGLV-YOEHRIQHSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775048225 628056262 /nfs/dbraw/zinc/05/62/62/628056262.db2.gz ICUJRECJEPBHKS-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775048225 628056268 /nfs/dbraw/zinc/05/62/68/628056268.db2.gz ICUJRECJEPBHKS-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]1C)Cc1ccccc1 ZINC000783221013 628688986 /nfs/dbraw/zinc/68/89/86/628688986.db2.gz DUAZNNZRBVMYEI-BPQIPLTHSA-N 2 2 274.452 3.328 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000783568891 628727109 /nfs/dbraw/zinc/72/71/09/628727109.db2.gz IFTRLQQHZNXVDX-HUUCEWRRSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000783568891 628727113 /nfs/dbraw/zinc/72/71/13/628727113.db2.gz IFTRLQQHZNXVDX-HUUCEWRRSA-N 2 2 270.486 3.126 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863541655 629601798 /nfs/dbraw/zinc/60/17/98/629601798.db2.gz LHAVNYVVOKIXGH-DOMZBBRYSA-N 2 2 262.372 3.069 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000863566211 629605977 /nfs/dbraw/zinc/60/59/77/629605977.db2.gz FCVDYTSMESIPQV-INIZCTEOSA-N 2 2 298.430 3.072 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000863566211 629605988 /nfs/dbraw/zinc/60/59/88/629605988.db2.gz FCVDYTSMESIPQV-INIZCTEOSA-N 2 2 298.430 3.072 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CSC(C)(C)C ZINC000797116492 629890979 /nfs/dbraw/zinc/89/09/79/629890979.db2.gz ZXOSWUOAPFGFBD-KGLIPLIRSA-N 2 2 272.502 3.371 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865437211 630123054 /nfs/dbraw/zinc/12/30/54/630123054.db2.gz CUOZRXVWEMHLLE-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865437211 630123060 /nfs/dbraw/zinc/12/30/60/630123060.db2.gz CUOZRXVWEMHLLE-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000800473954 630283151 /nfs/dbraw/zinc/28/31/51/630283151.db2.gz FAIMQYFXGPDMAZ-AEFFLSMTSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+]1CCCCC1 ZINC000800968012 630314241 /nfs/dbraw/zinc/31/42/41/630314241.db2.gz DAJKXLZYWKXLGO-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)nc1 ZINC000809750176 630798779 /nfs/dbraw/zinc/79/87/79/630798779.db2.gz PWPIZDOSGLGMIJ-UHFFFAOYSA-N 2 2 281.831 3.043 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)nc1 ZINC000809750176 630798783 /nfs/dbraw/zinc/79/87/83/630798783.db2.gz PWPIZDOSGLGMIJ-UHFFFAOYSA-N 2 2 281.831 3.043 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000811476901 631070782 /nfs/dbraw/zinc/07/07/82/631070782.db2.gz WETMQVHQESJSRI-JTQLQIEISA-N 2 2 299.205 3.011 20 0 CGADLP CCN(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817902017 632232051 /nfs/dbraw/zinc/23/20/51/632232051.db2.gz GRSOKLOSZSOLBV-ROUUACIJSA-N 2 2 295.430 3.377 20 0 CGADLP C[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821402085 632765247 /nfs/dbraw/zinc/76/52/47/632765247.db2.gz MEAKXTCYUKYJHO-KSTDHSDQSA-N 2 2 299.418 3.074 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000105488059 635867621 /nfs/dbraw/zinc/86/76/21/635867621.db2.gz DJZNUSNLACNSBM-GOFCXVBSSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000105488059 635867627 /nfs/dbraw/zinc/86/76/27/635867627.db2.gz DJZNUSNLACNSBM-GOFCXVBSSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477229 633249189 /nfs/dbraw/zinc/24/91/89/633249189.db2.gz NJIMCNWDEJCMRY-FZMZJTMJSA-N 2 2 275.783 3.414 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(O)ccc1F ZINC000872024737 633944781 /nfs/dbraw/zinc/94/47/81/633944781.db2.gz DOOWPWLOTNSWFX-LBPRGKRZSA-N 2 2 292.398 3.056 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872029844 633949484 /nfs/dbraw/zinc/94/94/84/633949484.db2.gz UJWBSOCPBKKUEW-CYBMUJFWSA-N 2 2 294.414 3.446 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872034322 633952739 /nfs/dbraw/zinc/95/27/39/633952739.db2.gz GSCBXKIOVRWLQM-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872034322 633952746 /nfs/dbraw/zinc/95/27/46/633952746.db2.gz GSCBXKIOVRWLQM-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(O)ccc2F)C1 ZINC000872034929 633954015 /nfs/dbraw/zinc/95/40/15/633954015.db2.gz RWYULNUPVKTFMY-KGLIPLIRSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(O)ccc2F)C1 ZINC000872034929 633954019 /nfs/dbraw/zinc/95/40/19/633954019.db2.gz RWYULNUPVKTFMY-KGLIPLIRSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872041545 633964836 /nfs/dbraw/zinc/96/48/36/633964836.db2.gz UDGBBCHPXVEMAE-YNEHKIRRSA-N 2 2 280.387 3.055 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000872064548 633986350 /nfs/dbraw/zinc/98/63/50/633986350.db2.gz ZSXRYJMQVWRHRH-MJBXVCDLSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000872065843 633988310 /nfs/dbraw/zinc/98/83/10/633988310.db2.gz HHXZVQHWXUGOBW-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000872065843 633988317 /nfs/dbraw/zinc/98/83/17/633988317.db2.gz HHXZVQHWXUGOBW-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000872066413 633988478 /nfs/dbraw/zinc/98/84/78/633988478.db2.gz MUXZDMSKCSRMEI-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000872066413 633988484 /nfs/dbraw/zinc/98/84/84/633988484.db2.gz MUXZDMSKCSRMEI-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000872065846 633988633 /nfs/dbraw/zinc/98/86/33/633988633.db2.gz HHXZVQHWXUGOBW-XIRDDKMYSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000872065846 633988637 /nfs/dbraw/zinc/98/86/37/633988637.db2.gz HHXZVQHWXUGOBW-XIRDDKMYSA-N 2 2 294.483 3.187 20 0 CGADLP COCC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000873153157 634260769 /nfs/dbraw/zinc/26/07/69/634260769.db2.gz BWIIIZCDYJIJSL-UHFFFAOYSA-N 2 2 287.407 3.025 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229950 634293375 /nfs/dbraw/zinc/29/33/75/634293375.db2.gz JGDGRGAAZBQMOK-UONOGXRCSA-N 2 2 284.325 3.080 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230848 634293495 /nfs/dbraw/zinc/29/34/95/634293495.db2.gz YQLLYVNYCLGDDV-HOTGVXAUSA-N 2 2 272.417 3.276 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841063140 635117010 /nfs/dbraw/zinc/11/70/10/635117010.db2.gz ILXGZFOZNIQADJ-GWCFXTLKSA-N 2 2 286.391 3.231 20 0 CGADLP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252903 635433424 /nfs/dbraw/zinc/43/34/24/635433424.db2.gz YNWQNYKADYTAID-KGLIPLIRSA-N 2 2 291.439 3.183 20 0 CGADLP CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C(C)(C)O1 ZINC000878252903 635433435 /nfs/dbraw/zinc/43/34/35/635433435.db2.gz YNWQNYKADYTAID-KGLIPLIRSA-N 2 2 291.439 3.183 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000843045181 635549720 /nfs/dbraw/zinc/54/97/20/635549720.db2.gz ONMMHVCVKSFALU-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000843045181 635549728 /nfs/dbraw/zinc/54/97/28/635549728.db2.gz ONMMHVCVKSFALU-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H]2C2CCC2)s1 ZINC000843437631 635675490 /nfs/dbraw/zinc/67/54/90/635675490.db2.gz QSSHWHYFFBZXCB-OAHLLOKOSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H]2C2CCC2)s1 ZINC000843437631 635675502 /nfs/dbraw/zinc/67/55/02/635675502.db2.gz QSSHWHYFFBZXCB-OAHLLOKOSA-N 2 2 293.480 3.359 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880372705 635985847 /nfs/dbraw/zinc/98/58/47/635985847.db2.gz ZOAQTELRHSJFPK-SFHVURJKSA-N 2 2 283.419 3.364 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880372705 635985849 /nfs/dbraw/zinc/98/58/49/635985849.db2.gz ZOAQTELRHSJFPK-SFHVURJKSA-N 2 2 283.419 3.364 20 0 CGADLP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000128834762 636079583 /nfs/dbraw/zinc/07/95/83/636079583.db2.gz VISLPKCKOGFFFO-ZBFHGGJFSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000128834762 636079584 /nfs/dbraw/zinc/07/95/84/636079584.db2.gz VISLPKCKOGFFFO-ZBFHGGJFSA-N 2 2 273.424 3.181 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000846021397 636130638 /nfs/dbraw/zinc/13/06/38/636130638.db2.gz ATTNWYZIAPYCED-UHFFFAOYSA-N 2 2 264.413 3.414 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1ccoc1)C1CCCCC1 ZINC000846021397 636130639 /nfs/dbraw/zinc/13/06/39/636130639.db2.gz ATTNWYZIAPYCED-UHFFFAOYSA-N 2 2 264.413 3.414 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883218341 636592773 /nfs/dbraw/zinc/59/27/73/636592773.db2.gz YLAAJSUTGHSXEN-RDBSUJKOSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)nc1 ZINC000848568201 636610143 /nfs/dbraw/zinc/61/01/43/636610143.db2.gz BDDIACBBIRVTFJ-AEGPPILISA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)nc1 ZINC000848568201 636610145 /nfs/dbraw/zinc/61/01/45/636610145.db2.gz BDDIACBBIRVTFJ-AEGPPILISA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)nc1 ZINC000848568202 636610404 /nfs/dbraw/zinc/61/04/04/636610404.db2.gz BDDIACBBIRVTFJ-CFVMTHIKSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)nc1 ZINC000848568202 636610408 /nfs/dbraw/zinc/61/04/08/636610408.db2.gz BDDIACBBIRVTFJ-CFVMTHIKSA-N 2 2 293.842 3.403 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292947 636655103 /nfs/dbraw/zinc/65/51/03/636655103.db2.gz DWGXQMUODRVXAN-CYBMUJFWSA-N 2 2 281.831 3.006 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)n1 ZINC000883292947 636655110 /nfs/dbraw/zinc/65/51/10/636655110.db2.gz DWGXQMUODRVXAN-CYBMUJFWSA-N 2 2 281.831 3.006 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387503 636729575 /nfs/dbraw/zinc/72/95/75/636729575.db2.gz YVOBQMNRAZOCLL-YOEHRIQHSA-N 2 2 269.392 3.403 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388086 636730538 /nfs/dbraw/zinc/73/05/38/636730538.db2.gz LWWFAXJLPJKPPL-HOTGVXAUSA-N 2 2 269.392 3.403 20 0 CGADLP COC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388428 636730679 /nfs/dbraw/zinc/73/06/79/636730679.db2.gz VEJHYSKTWJBZFN-DAWZGUTISA-N 2 2 299.418 3.172 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)c2ccccc2)c[nH+]1 ZINC000883388480 636730976 /nfs/dbraw/zinc/73/09/76/636730976.db2.gz WBUFUSBYJLRBOQ-BZSNNMDCSA-N 2 2 281.403 3.403 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883389613 636732777 /nfs/dbraw/zinc/73/27/77/636732777.db2.gz UVGKPTWSRJPBKK-DLBZAZTESA-N 2 2 299.418 3.172 20 0 CGADLP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924550866 638360675 /nfs/dbraw/zinc/36/06/75/638360675.db2.gz GCHNJFUQGQITBR-GFCCVEGCSA-N 2 2 269.348 3.289 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccns1 ZINC000924578937 638366945 /nfs/dbraw/zinc/36/69/45/638366945.db2.gz FVKSFYRGOVHVBH-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccns1 ZINC000924578937 638366949 /nfs/dbraw/zinc/36/69/49/638366949.db2.gz FVKSFYRGOVHVBH-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924627124 638379279 /nfs/dbraw/zinc/37/92/79/638379279.db2.gz ZVSHCGHUCCTAJD-HUUCEWRRSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924647787 638383034 /nfs/dbraw/zinc/38/30/34/638383034.db2.gz HPAFKHRDORSFQW-VQCLRJIVSA-N 2 2 287.432 3.185 20 0 CGADLP Cc1cccc2c1[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000924734267 638396599 /nfs/dbraw/zinc/39/65/99/638396599.db2.gz ZWKOFBPLZDRZHC-MRXNPFEDSA-N 2 2 269.392 3.249 20 0 CGADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)[NH+]1CCC(C)CC1 ZINC000924852303 638414553 /nfs/dbraw/zinc/41/45/53/638414553.db2.gz UQFPHNKDWAQJKM-HNSVSWJLSA-N 2 2 282.497 3.123 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000925052249 638444289 /nfs/dbraw/zinc/44/42/89/638444289.db2.gz QIZXQRBNQAECJN-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000925052249 638444292 /nfs/dbraw/zinc/44/42/92/638444292.db2.gz QIZXQRBNQAECJN-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000925196510 638473653 /nfs/dbraw/zinc/47/36/53/638473653.db2.gz NKEGXRXZJCUFCI-OAHLLOKOSA-N 2 2 293.455 3.250 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000925532356 638521621 /nfs/dbraw/zinc/52/16/21/638521621.db2.gz RICHDAWWEYLAGO-PBHICJAKSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(F)c(Cl)c1 ZINC000925560574 638529799 /nfs/dbraw/zinc/52/97/99/638529799.db2.gz ZPZDPJHRGYXCAG-TUBPYGPCSA-N 2 2 294.801 3.126 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1noc2ccccc12)c1ccccc1 ZINC000925712595 638576240 /nfs/dbraw/zinc/57/62/40/638576240.db2.gz IBMYLFSDBIQPSK-FZKQIMNGSA-N 2 2 295.386 3.048 20 0 CGADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925737569 638590469 /nfs/dbraw/zinc/59/04/69/638590469.db2.gz RMRUFNNGOZEMCY-KGLIPLIRSA-N 2 2 282.815 3.097 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC23CCCCC3)s1 ZINC000858191024 638654851 /nfs/dbraw/zinc/65/48/51/638654851.db2.gz LYPYMRYQWMCQRL-ZDUSSCGKSA-N 2 2 279.453 3.017 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000926145810 638720665 /nfs/dbraw/zinc/72/06/65/638720665.db2.gz TWHOIVUCWPEAFG-GJZGRUSLSA-N 2 2 291.439 3.005 20 0 CGADLP c1cc2cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000926356767 638765820 /nfs/dbraw/zinc/76/58/20/638765820.db2.gz DOIBSWWZVMUOAQ-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000926356767 638765824 /nfs/dbraw/zinc/76/58/24/638765824.db2.gz DOIBSWWZVMUOAQ-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926425811 638770086 /nfs/dbraw/zinc/77/00/86/638770086.db2.gz LYUMGUWPTNHFKP-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926425811 638770088 /nfs/dbraw/zinc/77/00/88/638770088.db2.gz LYUMGUWPTNHFKP-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)[C@@H]1c1cccnc1 ZINC000926581005 638787542 /nfs/dbraw/zinc/78/75/42/638787542.db2.gz DICGIYZPRBNIBF-SJADQPGOSA-N 2 2 299.462 3.243 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)[C@@H]1c1cccnc1 ZINC000926581005 638787544 /nfs/dbraw/zinc/78/75/44/638787544.db2.gz DICGIYZPRBNIBF-SJADQPGOSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]2c2cccs2)c(C)[nH+]1 ZINC000929131029 638901165 /nfs/dbraw/zinc/90/11/65/638901165.db2.gz ILJGDWRJHHDLCP-ZDUSSCGKSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2c2cccs2)c(C)[nH+]1 ZINC000929131029 638901167 /nfs/dbraw/zinc/90/11/67/638901167.db2.gz ILJGDWRJHHDLCP-ZDUSSCGKSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c(C)[nH+]1 ZINC000930248680 638985903 /nfs/dbraw/zinc/98/59/03/638985903.db2.gz MBZSWOHUQFJHHM-JTQLQIEISA-N 2 2 263.307 3.093 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(C)C ZINC000930444078 638998802 /nfs/dbraw/zinc/99/88/02/638998802.db2.gz UKSYGJVSXSNCDH-LSDHHAIUSA-N 2 2 279.428 3.100 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC=C(Cl)Cl)cc1 ZINC000859212381 639110818 /nfs/dbraw/zinc/11/08/18/639110818.db2.gz IAKRHNCHCNOELO-UHFFFAOYSA-N 2 2 287.234 3.499 20 0 CGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC=C(Cl)Cl)cc1 ZINC000859212381 639110823 /nfs/dbraw/zinc/11/08/23/639110823.db2.gz IAKRHNCHCNOELO-UHFFFAOYSA-N 2 2 287.234 3.499 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354279 639139282 /nfs/dbraw/zinc/13/92/82/639139282.db2.gz IKJLUBTZPKRDQC-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2cccc(F)c2)CC1 ZINC000931470304 639156943 /nfs/dbraw/zinc/15/69/43/639156943.db2.gz CHRBLSWAEDIQBZ-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000932274790 639309041 /nfs/dbraw/zinc/30/90/41/639309041.db2.gz KFEFJWGACCOTKZ-CRAIPNDOSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000932274790 639309050 /nfs/dbraw/zinc/30/90/50/639309050.db2.gz KFEFJWGACCOTKZ-CRAIPNDOSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cncs1 ZINC000158411329 640003986 /nfs/dbraw/zinc/00/39/86/640003986.db2.gz LRRFLPJYADMXLU-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[NH+](C)CC1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631067328 721943738 /nfs/dbraw/zinc/94/37/38/721943738.db2.gz YBNWXPFHOJPTJY-UHFFFAOYSA-N 2 2 269.392 3.013 20 0 CGADLP COc1ccc2c(C)cc(NCCn3cc[nH+]c3C)[nH+]c2c1 ZINC001156009656 805639513 /nfs/dbraw/zinc/63/95/13/805639513.db2.gz AHQYVJCETWBRKX-UHFFFAOYSA-N 2 2 296.374 3.169 20 0 CGADLP CSc1cc[nH+]c(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001156051878 805646715 /nfs/dbraw/zinc/64/67/15/805646715.db2.gz KXFZZIMNVMUXDN-UHFFFAOYSA-N 2 2 287.432 3.477 20 0 CGADLP CSCc1cc[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001156385646 805681480 /nfs/dbraw/zinc/68/14/80/805681480.db2.gz IEUZRMALFDFKGO-CYBMUJFWSA-N 2 2 279.453 3.088 20 0 CGADLP CSCc1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156385646 805681486 /nfs/dbraw/zinc/68/14/86/805681486.db2.gz IEUZRMALFDFKGO-CYBMUJFWSA-N 2 2 279.453 3.088 20 0 CGADLP C[NH+]1CCN(c2cccc3[nH+]c(CC4CCCC4)[nH]c32)CC1 ZINC001250576113 805704701 /nfs/dbraw/zinc/70/47/01/805704701.db2.gz BAGFHXYUYBBCMK-UHFFFAOYSA-N 2 2 298.434 3.047 20 0 CGADLP Cc1cc(C)c(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c[nH+]1 ZINC001159924657 806200255 /nfs/dbraw/zinc/20/02/55/806200255.db2.gz VUZQTVINVIKUFY-INIZCTEOSA-N 2 2 283.375 3.183 20 0 CGADLP CCCc1cc(-n2c(CC[NH3+])cc3ccccc32)nc(C)[nH+]1 ZINC001160125299 806226228 /nfs/dbraw/zinc/22/62/28/806226228.db2.gz CCXDLPOOLHBDFX-UHFFFAOYSA-N 2 2 294.402 3.183 20 0 CGADLP Cc1cc(C)c(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001160167071 806231162 /nfs/dbraw/zinc/23/11/62/806231162.db2.gz KWEADGLFJAKYAD-CQSZACIVSA-N 2 2 283.375 3.183 20 0 CGADLP CSCc1ccc(NCc2ccccc2C[NH3+])[nH+]c1 ZINC001160908327 806319283 /nfs/dbraw/zinc/31/92/83/806319283.db2.gz LYUFQKPZOQXEGR-UHFFFAOYSA-N 2 2 273.405 3.015 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001254213903 806367784 /nfs/dbraw/zinc/36/77/84/806367784.db2.gz PGFMMRFBDPZGGZ-CYBMUJFWSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001254213903 806367795 /nfs/dbraw/zinc/36/77/95/806367795.db2.gz PGFMMRFBDPZGGZ-CYBMUJFWSA-N 2 2 272.383 3.171 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001254502877 806422874 /nfs/dbraw/zinc/42/28/74/806422874.db2.gz JLMOWPSGKGKFHH-CYBMUJFWSA-N 2 2 278.827 3.403 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001254502877 806422880 /nfs/dbraw/zinc/42/28/80/806422880.db2.gz JLMOWPSGKGKFHH-CYBMUJFWSA-N 2 2 278.827 3.403 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830999 806492044 /nfs/dbraw/zinc/49/20/44/806492044.db2.gz IYCGLQAJAKUQHB-YJBOKZPZSA-N 2 2 272.436 3.082 20 0 CGADLP CC(C)(Cc1ccc(F)cc1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254834128 806493550 /nfs/dbraw/zinc/49/35/50/806493550.db2.gz BLFLCSQOOUOLNR-KRWDZBQOSA-N 2 2 290.426 3.221 20 0 CGADLP c1ccc2cc(CC[NH2+][C@H]3CC4CC[NH+](CC4)C3)ccc2c1 ZINC001254840666 806494876 /nfs/dbraw/zinc/49/48/76/806494876.db2.gz LQMDZBRVKMUUJO-FQEVSTJZSA-N 2 2 294.442 3.456 20 0 CGADLP FC1(F)CCC2(C[C@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254844392 806497782 /nfs/dbraw/zinc/49/77/82/806497782.db2.gz JCLDEKRSCIOIEM-UONOGXRCSA-N 2 2 284.394 3.028 20 0 CGADLP Cc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156191 798860782 /nfs/dbraw/zinc/86/07/82/798860782.db2.gz PLXZCVVMYCLQRP-INIZCTEOSA-N 2 2 271.408 3.396 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC000340672565 799286554 /nfs/dbraw/zinc/28/65/54/799286554.db2.gz BIDSINPWCKKTES-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC000340672565 799286556 /nfs/dbraw/zinc/28/65/56/799286556.db2.gz BIDSINPWCKKTES-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(C)cc1 ZINC001255797701 806756727 /nfs/dbraw/zinc/75/67/27/806756727.db2.gz UCSBCYLDRVJIEU-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(C)cc1 ZINC001255797701 806756731 /nfs/dbraw/zinc/75/67/31/806756731.db2.gz UCSBCYLDRVJIEU-MRXNPFEDSA-N 2 2 271.408 3.145 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000405402067 799583654 /nfs/dbraw/zinc/58/36/54/799583654.db2.gz KJZXVAXAWYUVHB-IXDOHACOSA-N 2 2 282.387 3.229 20 0 CGADLP c1ccc(N2CCC([NH2+]C3CCC=CCC3)CC2)[nH+]c1 ZINC000718016335 800209488 /nfs/dbraw/zinc/20/94/88/800209488.db2.gz ACLRPTWJNRUFCM-UHFFFAOYSA-N 2 2 271.408 3.139 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC001256072150 806811758 /nfs/dbraw/zinc/81/17/58/806811758.db2.gz ZBBJEALUVVRNDB-SFHVURJKSA-N 2 2 285.435 3.058 20 0 CGADLP F[C@H]1CCC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256081235 806816337 /nfs/dbraw/zinc/81/63/37/806816337.db2.gz VCSOIWUKPQWVNE-AWEZNQCLSA-N 2 2 280.431 3.217 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1Cl ZINC001256200106 806847307 /nfs/dbraw/zinc/84/73/07/806847307.db2.gz OELTUTMIGFNXIZ-HNNXBMFYSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1c(N)cc[nH+]c1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163898021 806849038 /nfs/dbraw/zinc/84/90/38/806849038.db2.gz PLKNZWREQMWPOT-UHFFFAOYSA-N 2 2 286.766 3.028 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001256208247 806850206 /nfs/dbraw/zinc/85/02/06/806850206.db2.gz AUAMUQWLLQJBRZ-INIZCTEOSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC001256208247 806850215 /nfs/dbraw/zinc/85/02/15/806850215.db2.gz AUAMUQWLLQJBRZ-INIZCTEOSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536306 806912227 /nfs/dbraw/zinc/91/22/27/806912227.db2.gz CSGNZZYFLQSMTC-PVAVHDDUSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256536306 806912235 /nfs/dbraw/zinc/91/22/35/806912235.db2.gz CSGNZZYFLQSMTC-PVAVHDDUSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536306 806912240 /nfs/dbraw/zinc/91/22/40/806912240.db2.gz CSGNZZYFLQSMTC-PVAVHDDUSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256536306 806912244 /nfs/dbraw/zinc/91/22/44/806912244.db2.gz CSGNZZYFLQSMTC-PVAVHDDUSA-N 2 2 276.399 3.083 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001256569404 806917692 /nfs/dbraw/zinc/91/76/92/806917692.db2.gz DOJXOWVOACQCSE-HNNXBMFYSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001256569404 806917694 /nfs/dbraw/zinc/91/76/94/806917694.db2.gz DOJXOWVOACQCSE-HNNXBMFYSA-N 2 2 256.409 3.073 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001116291292 802326238 /nfs/dbraw/zinc/32/62/38/802326238.db2.gz BFGMVGIZSICKCE-KBPBESRZSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001116291292 802326244 /nfs/dbraw/zinc/32/62/44/802326244.db2.gz BFGMVGIZSICKCE-KBPBESRZSA-N 2 2 280.843 3.202 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256784427 806977221 /nfs/dbraw/zinc/97/72/21/806977221.db2.gz CUZYAPIYABPDQQ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256784427 806977227 /nfs/dbraw/zinc/97/72/27/806977227.db2.gz CUZYAPIYABPDQQ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1[nH+]cn([C@@H](C)Cc2c(F)cccc2Cl)c1CC[NH3+] ZINC001172845502 808459129 /nfs/dbraw/zinc/45/91/29/808459129.db2.gz NEUDMOINEQYRCS-JTQLQIEISA-N 2 2 295.789 3.289 20 0 CGADLP Nc1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001201287208 811809444 /nfs/dbraw/zinc/80/94/44/811809444.db2.gz ZFMGYOQUUCGZDP-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP Cc1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001137158492 803691771 /nfs/dbraw/zinc/69/17/71/803691771.db2.gz VFCUFFAMPDQDHE-UHFFFAOYSA-N 2 2 261.394 3.090 20 0 CGADLP C[NH+](C)CCCOc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC001245337176 803702687 /nfs/dbraw/zinc/70/26/87/803702687.db2.gz YZPBIBOIVPXAQW-UHFFFAOYSA-N 2 2 295.386 3.332 20 0 CGADLP Cc1csc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC001137292553 803710455 /nfs/dbraw/zinc/71/04/55/803710455.db2.gz FPOCJNDYPUOPFP-CQSZACIVSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001137292553 803710458 /nfs/dbraw/zinc/71/04/58/803710458.db2.gz FPOCJNDYPUOPFP-CQSZACIVSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC001137292553 803710460 /nfs/dbraw/zinc/71/04/60/803710460.db2.gz FPOCJNDYPUOPFP-CQSZACIVSA-N 2 2 284.856 3.238 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC001137292553 803710463 /nfs/dbraw/zinc/71/04/63/803710463.db2.gz FPOCJNDYPUOPFP-CQSZACIVSA-N 2 2 284.856 3.238 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC001137961570 803809183 /nfs/dbraw/zinc/80/91/83/803809183.db2.gz SAXZHFVRBQVTIJ-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC001137961570 803809193 /nfs/dbraw/zinc/80/91/93/803809193.db2.gz SAXZHFVRBQVTIJ-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(N(C)C)s2)CC1 ZINC001138494065 803954124 /nfs/dbraw/zinc/95/41/24/803954124.db2.gz IUWOUIALMDFCQO-UHFFFAOYSA-N 2 2 295.496 3.120 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c(C)s1 ZINC001138571047 803969820 /nfs/dbraw/zinc/96/98/20/803969820.db2.gz CRLLACNNTUEKLD-UHFFFAOYSA-N 2 2 264.438 3.035 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246092204 804123810 /nfs/dbraw/zinc/12/38/10/804123810.db2.gz GIAZJMQUPCFKKL-JKSUJKDBSA-N 2 2 270.461 3.094 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246091334 804124376 /nfs/dbraw/zinc/12/43/76/804124376.db2.gz PJACUWVMCABLOU-HUUCEWRRSA-N 2 2 278.465 3.207 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c1Cl ZINC001246157734 804174613 /nfs/dbraw/zinc/17/46/13/804174613.db2.gz DCFZMMSEVQTGKJ-QWRGUYRKSA-N 2 2 284.806 3.406 20 0 CGADLP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360352 804182712 /nfs/dbraw/zinc/18/27/12/804182712.db2.gz ORTGFGJPOVMJKR-QGZVFWFLSA-N 2 2 299.418 3.262 20 0 CGADLP COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360352 804182717 /nfs/dbraw/zinc/18/27/17/804182717.db2.gz ORTGFGJPOVMJKR-QGZVFWFLSA-N 2 2 299.418 3.262 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC4CCC(CC4)C3)cc2)c[nH+]1 ZINC001139360693 804184295 /nfs/dbraw/zinc/18/42/95/804184295.db2.gz DBTZCJWGYZPRSR-UHFFFAOYSA-N 2 2 281.403 3.494 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246169363 804184587 /nfs/dbraw/zinc/18/45/87/804184587.db2.gz IJEMRSAAGHHJOB-AWEZNQCLSA-N 2 2 280.481 3.286 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246228559 804221547 /nfs/dbraw/zinc/22/15/47/804221547.db2.gz XZTCMAULVXCKHX-CABZTGNLSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)=CCC/C(C)=C/C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246246326 804236960 /nfs/dbraw/zinc/23/69/60/804236960.db2.gz SYEBXHPRSSCQJV-RUDSUQHLSA-N 2 2 250.430 3.409 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246270625 804247471 /nfs/dbraw/zinc/24/74/71/804247471.db2.gz OZRYFGYLQGVWLP-KBRIMQKVSA-N 2 2 258.409 3.258 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246292822 804263021 /nfs/dbraw/zinc/26/30/21/804263021.db2.gz TYODZEZBIFRNLT-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC001246318887 804278477 /nfs/dbraw/zinc/27/84/77/804278477.db2.gz VGRWMBWSKHSTFV-JSGCOSHPSA-N 2 2 266.816 3.441 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246347387 804298828 /nfs/dbraw/zinc/29/88/28/804298828.db2.gz GXYQCGCFZJAZFO-BZPMIXESSA-N 2 2 266.816 3.440 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407027 804324154 /nfs/dbraw/zinc/32/41/54/804324154.db2.gz SKORCHSCFHBRAV-AHCXZYCDSA-N 3 2 293.499 3.032 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407027 804324163 /nfs/dbraw/zinc/32/41/63/804324163.db2.gz SKORCHSCFHBRAV-AHCXZYCDSA-N 3 2 293.499 3.032 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1Cl ZINC001246489322 804356876 /nfs/dbraw/zinc/35/68/76/804356876.db2.gz NCVBWTDQNPFRSO-NXEZZACHSA-N 2 2 258.768 3.128 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508572 804366682 /nfs/dbraw/zinc/36/66/82/804366682.db2.gz UCWSDANZSPVPGO-TZMCWYRMSA-N 2 2 266.454 3.196 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548921 804399668 /nfs/dbraw/zinc/39/96/68/804399668.db2.gz IIUOULCOBFGSHA-QWHCGFSZSA-N 2 2 298.833 3.342 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548921 804399674 /nfs/dbraw/zinc/39/96/74/804399674.db2.gz IIUOULCOBFGSHA-QWHCGFSZSA-N 2 2 298.833 3.342 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560851 804410497 /nfs/dbraw/zinc/41/04/97/804410497.db2.gz UJNARSQOQMRLEN-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560851 804410500 /nfs/dbraw/zinc/41/05/00/804410500.db2.gz UJNARSQOQMRLEN-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246580461 804426408 /nfs/dbraw/zinc/42/64/08/804426408.db2.gz MXTNUYBIDRDFQA-CRAIPNDOSA-N 2 2 292.442 3.333 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246580461 804426411 /nfs/dbraw/zinc/42/64/11/804426411.db2.gz MXTNUYBIDRDFQA-CRAIPNDOSA-N 2 2 292.442 3.333 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588562 804430957 /nfs/dbraw/zinc/43/09/57/804430957.db2.gz WPBORUUWMUGNNP-ILXRZTDVSA-N 2 2 258.425 3.497 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588562 804430961 /nfs/dbraw/zinc/43/09/61/804430961.db2.gz WPBORUUWMUGNNP-ILXRZTDVSA-N 2 2 258.425 3.497 20 0 CGADLP C[C@]1(F)CC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1F ZINC001246592396 804433285 /nfs/dbraw/zinc/43/32/85/804433285.db2.gz ZOXZBTMDBAJFGT-KKUMJFAQSA-N 2 2 286.410 3.213 20 0 CGADLP C[C@]1(F)CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@@H]1F ZINC001246592396 804433286 /nfs/dbraw/zinc/43/32/86/804433286.db2.gz ZOXZBTMDBAJFGT-KKUMJFAQSA-N 2 2 286.410 3.213 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617527 804451287 /nfs/dbraw/zinc/45/12/87/804451287.db2.gz DAUNBKWEAPDPMJ-AEFFLSMTSA-N 2 2 298.474 3.497 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246619175 804454236 /nfs/dbraw/zinc/45/42/36/804454236.db2.gz LZDUMPJNOFOREA-PVAVHDDUSA-N 2 2 270.420 3.136 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246619175 804454237 /nfs/dbraw/zinc/45/42/37/804454237.db2.gz LZDUMPJNOFOREA-PVAVHDDUSA-N 2 2 270.420 3.136 20 0 CGADLP CC1(C)CCC[C@H]([N@@H+]2CC(F)(F)CC23CC[NH2+]CC3)C1 ZINC001246654888 804480438 /nfs/dbraw/zinc/48/04/38/804480438.db2.gz NXFJENLKOSVBFC-ZDUSSCGKSA-N 2 2 286.410 3.418 20 0 CGADLP CC1(C)CCC[C@H]([N@H+]2CC(F)(F)CC23CC[NH2+]CC3)C1 ZINC001246654888 804480442 /nfs/dbraw/zinc/48/04/42/804480442.db2.gz NXFJENLKOSVBFC-ZDUSSCGKSA-N 2 2 286.410 3.418 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246663450 804485116 /nfs/dbraw/zinc/48/51/16/804485116.db2.gz UZXCLXGPKSFRJH-HSMVNMDESA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001246663450 804485118 /nfs/dbraw/zinc/48/51/18/804485118.db2.gz UZXCLXGPKSFRJH-HSMVNMDESA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775467 804504870 /nfs/dbraw/zinc/50/48/70/804504870.db2.gz IQEDBNSMVAFQIW-XJKSGUPXSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775467 804504874 /nfs/dbraw/zinc/50/48/74/804504874.db2.gz IQEDBNSMVAFQIW-XJKSGUPXSA-N 2 2 254.377 3.022 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246835673 804543862 /nfs/dbraw/zinc/54/38/62/804543862.db2.gz LNLVWEBKLPNWBC-BJWYYQGGSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246835673 804543866 /nfs/dbraw/zinc/54/38/66/804543866.db2.gz LNLVWEBKLPNWBC-BJWYYQGGSA-N 2 2 290.838 3.371 20 0 CGADLP C[C@H]1CC([N@@H+]2CCc3cc(Cl)ccc3C2)C[C@H](C)[NH2+]1 ZINC001246835645 804544524 /nfs/dbraw/zinc/54/45/24/804544524.db2.gz KWTFGPXPAJZNAZ-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@H]1CC([N@H+]2CCc3cc(Cl)ccc3C2)C[C@H](C)[NH2+]1 ZINC001246835645 804544530 /nfs/dbraw/zinc/54/45/30/804544530.db2.gz KWTFGPXPAJZNAZ-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246839889 804547914 /nfs/dbraw/zinc/54/79/14/804547914.db2.gz ZYVUEGVZWMCLDX-IXDOHACOSA-N 2 2 278.415 3.159 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246839889 804547919 /nfs/dbraw/zinc/54/79/19/804547919.db2.gz ZYVUEGVZWMCLDX-IXDOHACOSA-N 2 2 278.415 3.159 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866888 804568962 /nfs/dbraw/zinc/56/89/62/804568962.db2.gz GAKRHKFVMGOPPG-GOEBONIOSA-N 2 2 282.378 3.173 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866888 804568968 /nfs/dbraw/zinc/56/89/68/804568968.db2.gz GAKRHKFVMGOPPG-GOEBONIOSA-N 2 2 282.378 3.173 20 0 CGADLP CCCCc1[nH]c(C[NH+]2CC3CCC(CC3)C2)c[nH+]1 ZINC001141071474 804584636 /nfs/dbraw/zinc/58/46/36/804584636.db2.gz QIKZUPPXNIUEKF-UHFFFAOYSA-N 2 2 261.413 3.374 20 0 CGADLP CC[C@H]1C[C@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905787 804589761 /nfs/dbraw/zinc/58/97/61/804589761.db2.gz BNURKFRMSIDHOV-UONOGXRCSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905787 804589766 /nfs/dbraw/zinc/58/97/66/804589766.db2.gz BNURKFRMSIDHOV-UONOGXRCSA-N 2 2 282.378 3.317 20 0 CGADLP CCOc1ccc2[nH]c(C3CC4(C3)CC[NH2+]CC4)[nH+]c2c1 ZINC001247012853 804641612 /nfs/dbraw/zinc/64/16/12/804641612.db2.gz GXHUTLGBMZXABR-UHFFFAOYSA-N 2 2 285.391 3.209 20 0 CGADLP CCCn1c(CCCC[NH3+])[nH+]c2ccc(OCC)cc21 ZINC001247042390 804649681 /nfs/dbraw/zinc/64/96/81/804649681.db2.gz ICZSNXICMFVDGT-UHFFFAOYSA-N 2 2 275.396 3.126 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001141979010 804684475 /nfs/dbraw/zinc/68/44/75/804684475.db2.gz MRWXVPRJQIBSQF-UHFFFAOYSA-N 2 2 299.418 3.176 20 0 CGADLP CC(C)COc1cc(NCC[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC001165300403 806990483 /nfs/dbraw/zinc/99/04/83/806990483.db2.gz NQOONKVWFFNJSA-OAHLLOKOSA-N 2 2 291.439 3.260 20 0 CGADLP CC(C)COc1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165300403 806990488 /nfs/dbraw/zinc/99/04/88/806990488.db2.gz NQOONKVWFFNJSA-OAHLLOKOSA-N 2 2 291.439 3.260 20 0 CGADLP COc1cccc2c(NCC[C@@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC001165290144 806988814 /nfs/dbraw/zinc/98/88/14/806988814.db2.gz OXPDMBCFRULCBE-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP COc1cccc2c(NCC[C@@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC001165290144 806988819 /nfs/dbraw/zinc/98/88/19/806988819.db2.gz OXPDMBCFRULCBE-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248819218 805006005 /nfs/dbraw/zinc/00/60/05/805006005.db2.gz QSVSGORIXQFWKL-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248819218 805006016 /nfs/dbraw/zinc/00/60/16/805006016.db2.gz QSVSGORIXQFWKL-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001154975021 805516209 /nfs/dbraw/zinc/51/62/09/805516209.db2.gz GPWJVHCPUMJGAP-HOTGVXAUSA-N 2 2 267.376 3.430 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257294518 807091096 /nfs/dbraw/zinc/09/10/96/807091096.db2.gz QGPNEFWPVZUJJK-ZWKOTPCHSA-N 2 2 290.451 3.054 20 0 CGADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257294518 807091103 /nfs/dbraw/zinc/09/11/03/807091103.db2.gz QGPNEFWPVZUJJK-ZWKOTPCHSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257475096 807173316 /nfs/dbraw/zinc/17/33/16/807173316.db2.gz JNMCPFAJKMCVEG-BBWFWOEESA-N 2 2 296.499 3.434 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257475096 807173322 /nfs/dbraw/zinc/17/33/22/807173322.db2.gz JNMCPFAJKMCVEG-BBWFWOEESA-N 2 2 296.499 3.434 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCCSC2)c1 ZINC001257667824 807209534 /nfs/dbraw/zinc/20/95/34/807209534.db2.gz LDBQZTSUDCTGRL-CQSZACIVSA-N 2 2 273.405 3.077 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCCSC2)cc1 ZINC001257667967 807209774 /nfs/dbraw/zinc/20/97/74/807209774.db2.gz LPCVQQTWDAQCCX-CQSZACIVSA-N 2 2 273.405 3.077 20 0 CGADLP COc1ccc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]c1C ZINC001167753978 807243535 /nfs/dbraw/zinc/24/35/35/807243535.db2.gz NUAPJRMWSHGAPE-CYBMUJFWSA-N 2 2 277.412 3.075 20 0 CGADLP COc1ccc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]c1C ZINC001167753978 807243539 /nfs/dbraw/zinc/24/35/39/807243539.db2.gz NUAPJRMWSHGAPE-CYBMUJFWSA-N 2 2 277.412 3.075 20 0 CGADLP Cc1ccc2cc(NCc3ccc(N)[nH+]c3C)[nH+]cc2c1 ZINC001167782227 807249084 /nfs/dbraw/zinc/24/90/84/807249084.db2.gz SZFUQQQGOGJHKU-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc2cc(F)ccc21 ZINC001167784652 807250584 /nfs/dbraw/zinc/25/05/84/807250584.db2.gz ACQFRAJDJXATPG-UHFFFAOYSA-N 2 2 282.322 3.272 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258062329 807283757 /nfs/dbraw/zinc/28/37/57/807283757.db2.gz JZWWANMCQFCDDZ-KGLIPLIRSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258062329 807283760 /nfs/dbraw/zinc/28/37/60/807283760.db2.gz JZWWANMCQFCDDZ-KGLIPLIRSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH]c2ccc(N(C(N)=[NH2+])c3ccc(F)cc3)cc2[nH+]1 ZINC001167991366 807292310 /nfs/dbraw/zinc/29/23/10/807292310.db2.gz HEBHYWQXNANMFQ-UHFFFAOYSA-N 2 2 283.310 3.042 20 0 CGADLP Cc1c[nH+]c(Nc2cccc(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC001212711775 815111356 /nfs/dbraw/zinc/11/13/56/815111356.db2.gz RTJAJTLEOCDTNM-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1cc[nH+]c(C)c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212710404 815111537 /nfs/dbraw/zinc/11/15/37/815111537.db2.gz GABJLGOGFUZBMI-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP CSCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258206800 807363294 /nfs/dbraw/zinc/36/32/94/807363294.db2.gz XVUSIZYGGIGQQI-AWEZNQCLSA-N 2 2 293.480 3.029 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001258282282 807394365 /nfs/dbraw/zinc/39/43/65/807394365.db2.gz GNSMVQAOXCGXSG-AWEZNQCLSA-N 2 2 257.381 3.393 20 0 CGADLP CC1(C)CCC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC001258288935 807397053 /nfs/dbraw/zinc/39/70/53/807397053.db2.gz KOQRBTOJLJGTGX-OAHLLOKOSA-N 2 2 261.413 3.489 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168399885 807405171 /nfs/dbraw/zinc/40/51/71/807405171.db2.gz FALOUXOZXZDCRB-QGZVFWFLSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168399885 807405175 /nfs/dbraw/zinc/40/51/75/807405175.db2.gz FALOUXOZXZDCRB-QGZVFWFLSA-N 2 2 278.415 3.005 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001168468759 807428222 /nfs/dbraw/zinc/42/82/22/807428222.db2.gz OCTWGBGLDNWHJD-HOTGVXAUSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](CC1CC1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258456884 807461513 /nfs/dbraw/zinc/46/15/13/807461513.db2.gz RMBRXGIYTJKFHW-LBPRGKRZSA-N 2 2 255.365 3.370 20 0 CGADLP CC[C@H](C)C[C@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695948 807486962 /nfs/dbraw/zinc/48/69/62/807486962.db2.gz WWEFLYAQHLXHRN-YQQAZPJKSA-N 2 2 289.467 3.456 20 0 CGADLP CC[C@H](C)C[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695948 807486968 /nfs/dbraw/zinc/48/69/68/807486968.db2.gz WWEFLYAQHLXHRN-YQQAZPJKSA-N 2 2 289.467 3.456 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603894 807502040 /nfs/dbraw/zinc/50/20/40/807502040.db2.gz RIBPEOUCWOTUCS-SOLBZPMBSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603894 807502048 /nfs/dbraw/zinc/50/20/48/807502048.db2.gz RIBPEOUCWOTUCS-SOLBZPMBSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603894 807502050 /nfs/dbraw/zinc/50/20/50/807502050.db2.gz RIBPEOUCWOTUCS-SOLBZPMBSA-N 2 2 299.462 3.024 20 0 CGADLP CC1(C)CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001258603894 807502055 /nfs/dbraw/zinc/50/20/55/807502055.db2.gz RIBPEOUCWOTUCS-SOLBZPMBSA-N 2 2 299.462 3.024 20 0 CGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258696222 807551751 /nfs/dbraw/zinc/55/17/51/807551751.db2.gz CIBCXSFTOZJXPD-DOTOQJQBSA-N 2 2 296.499 3.244 20 0 CGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001258696222 807551756 /nfs/dbraw/zinc/55/17/56/807551756.db2.gz CIBCXSFTOZJXPD-DOTOQJQBSA-N 2 2 296.499 3.244 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001169051166 807559907 /nfs/dbraw/zinc/55/99/07/807559907.db2.gz VDDZDJKEUWCVOD-NVXWUHKLSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001169059050 807562428 /nfs/dbraw/zinc/56/24/28/807562428.db2.gz MODZIYHGAVDLIQ-INIZCTEOSA-N 2 2 271.408 3.214 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC001169092175 807572376 /nfs/dbraw/zinc/57/23/76/807572376.db2.gz ZJIYODZEJPFTKZ-DOERSZECSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC001169092175 807572380 /nfs/dbraw/zinc/57/23/80/807572380.db2.gz ZJIYODZEJPFTKZ-DOERSZECSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169094961 807574254 /nfs/dbraw/zinc/57/42/54/807574254.db2.gz NZRANHCHPYNPCQ-XDQVBPFNSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169094961 807574259 /nfs/dbraw/zinc/57/42/59/807574259.db2.gz NZRANHCHPYNPCQ-XDQVBPFNSA-N 2 2 262.372 3.102 20 0 CGADLP Cc1[nH+]cn([C@H](C)Cc2cccc(Cl)c2)c1CC[NH3+] ZINC001258738226 807583277 /nfs/dbraw/zinc/58/32/77/807583277.db2.gz MYCVFXVZERUZOV-LLVKDONJSA-N 2 2 277.799 3.150 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001169153244 807594524 /nfs/dbraw/zinc/59/45/24/807594524.db2.gz IDLFUAUTCVOIKA-MUJYYYPQSA-N 2 2 292.467 3.035 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCC(C)(C)O3)CC1)C2 ZINC001169153244 807594527 /nfs/dbraw/zinc/59/45/27/807594527.db2.gz IDLFUAUTCVOIKA-MUJYYYPQSA-N 2 2 292.467 3.035 20 0 CGADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258755961 807596361 /nfs/dbraw/zinc/59/63/61/807596361.db2.gz DTFXFZWOENZDEC-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258755961 807596367 /nfs/dbraw/zinc/59/63/67/807596367.db2.gz DTFXFZWOENZDEC-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CCC[NH+]1CCC([NH+]2CCC3(CC(F)(F)C3)CC2)CC1 ZINC001258772109 807604771 /nfs/dbraw/zinc/60/47/71/807604771.db2.gz JACILHVANXWSEL-UHFFFAOYSA-N 2 2 286.410 3.372 20 0 CGADLP CC(C)C1CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001258801761 807622499 /nfs/dbraw/zinc/62/24/99/807622499.db2.gz LUYKAIOEGVIDLZ-UHFFFAOYSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)C1CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001258801761 807622505 /nfs/dbraw/zinc/62/25/05/807622505.db2.gz LUYKAIOEGVIDLZ-UHFFFAOYSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)C1 ZINC001258820845 807636848 /nfs/dbraw/zinc/63/68/48/807636848.db2.gz PFAUCXGLHBDLHL-OWYHZJEWSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@H](Cc1ccccc1)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258846579 807656512 /nfs/dbraw/zinc/65/65/12/807656512.db2.gz RPXCRQCMJOKUJL-MRXNPFEDSA-N 2 2 283.419 3.074 20 0 CGADLP Cc1cc[nH+]c(Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC001212803377 815142628 /nfs/dbraw/zinc/14/26/28/815142628.db2.gz YAXWPQNAOBKZCA-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001170070342 807747009 /nfs/dbraw/zinc/74/70/09/807747009.db2.gz DHCKUWGDRYBOCL-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001170070342 807747011 /nfs/dbraw/zinc/74/70/11/807747011.db2.gz DHCKUWGDRYBOCL-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239444 807799637 /nfs/dbraw/zinc/79/96/37/807799637.db2.gz NCJVZOXWKRBUAZ-QZTJIDSGSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239444 807799639 /nfs/dbraw/zinc/79/96/39/807799639.db2.gz NCJVZOXWKRBUAZ-QZTJIDSGSA-N 2 2 299.418 3.262 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]CC3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC001170727977 807889296 /nfs/dbraw/zinc/88/92/96/807889296.db2.gz QAUVJABSYCRCMR-OSYLJGHBSA-N 2 2 299.462 3.322 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171559600 808095049 /nfs/dbraw/zinc/09/50/49/808095049.db2.gz JMUQTQPJYOZTFA-OALUTQOASA-N 2 2 298.474 3.316 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171559600 808095056 /nfs/dbraw/zinc/09/50/56/808095056.db2.gz JMUQTQPJYOZTFA-OALUTQOASA-N 2 2 298.474 3.316 20 0 CGADLP CCN1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C(C)(C)C1 ZINC001171641678 808110770 /nfs/dbraw/zinc/11/07/70/808110770.db2.gz SWRACSSBWQPUIK-UHFFFAOYSA-N 2 2 295.515 3.054 20 0 CGADLP CCN1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C(C)(C)C1 ZINC001171641678 808110773 /nfs/dbraw/zinc/11/07/73/808110773.db2.gz SWRACSSBWQPUIK-UHFFFAOYSA-N 2 2 295.515 3.054 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001171658636 808114042 /nfs/dbraw/zinc/11/40/42/808114042.db2.gz UDNSUPDEEVTIAW-SJLPKXTDSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001171658636 808114046 /nfs/dbraw/zinc/11/40/46/808114046.db2.gz UDNSUPDEEVTIAW-SJLPKXTDSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001171658633 808114619 /nfs/dbraw/zinc/11/46/19/808114619.db2.gz UDNSUPDEEVTIAW-AEFFLSMTSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001171658633 808114626 /nfs/dbraw/zinc/11/46/26/808114626.db2.gz UDNSUPDEEVTIAW-AEFFLSMTSA-N 2 2 274.452 3.388 20 0 CGADLP CC1(C)C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976000 808163954 /nfs/dbraw/zinc/16/39/54/808163954.db2.gz HIHBJDXZLNHVOQ-IAGOWNOFSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([NH+]2CC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976000 808163958 /nfs/dbraw/zinc/16/39/58/808163958.db2.gz HIHBJDXZLNHVOQ-IAGOWNOFSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976000 808163961 /nfs/dbraw/zinc/16/39/61/808163961.db2.gz HIHBJDXZLNHVOQ-IAGOWNOFSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976000 808163965 /nfs/dbraw/zinc/16/39/65/808163965.db2.gz HIHBJDXZLNHVOQ-IAGOWNOFSA-N 2 2 290.426 3.473 20 0 CGADLP F[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074944 808170412 /nfs/dbraw/zinc/17/04/12/808170412.db2.gz ZALKRKQWWMIDFW-UYTYNIKBSA-N 2 2 288.410 3.272 20 0 CGADLP F[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074944 808170415 /nfs/dbraw/zinc/17/04/15/808170415.db2.gz ZALKRKQWWMIDFW-UYTYNIKBSA-N 2 2 288.410 3.272 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172324402 808232967 /nfs/dbraw/zinc/23/29/67/808232967.db2.gz MIEIOUMPIHYKEP-ULQDDVLXSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1C ZINC001172368824 808264523 /nfs/dbraw/zinc/26/45/23/808264523.db2.gz JTMLDJAFAPYJJN-FXUDXRNXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1C ZINC001172368824 808264527 /nfs/dbraw/zinc/26/45/27/808264527.db2.gz JTMLDJAFAPYJJN-FXUDXRNXSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)CCOC(C)C)C1 ZINC001172462073 808332293 /nfs/dbraw/zinc/33/22/93/808332293.db2.gz YRMMLYKEOOACEH-CVEARBPZSA-N 2 2 292.423 3.047 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)CCOC(C)C)C1 ZINC001172462073 808332301 /nfs/dbraw/zinc/33/23/01/808332301.db2.gz YRMMLYKEOOACEH-CVEARBPZSA-N 2 2 292.423 3.047 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538967 808372219 /nfs/dbraw/zinc/37/22/19/808372219.db2.gz YCHXRUMUOIISLW-UAGQMJEPSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172714775 808415814 /nfs/dbraw/zinc/41/58/14/808415814.db2.gz CSKWGWSWXDTSOC-DLBZAZTESA-N 2 2 292.854 3.127 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172714775 808415818 /nfs/dbraw/zinc/41/58/18/808415818.db2.gz CSKWGWSWXDTSOC-DLBZAZTESA-N 2 2 292.854 3.127 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172862651 808466637 /nfs/dbraw/zinc/46/66/37/808466637.db2.gz FEAIZDZGZKWUIL-GFCCVEGCSA-N 2 2 298.833 3.436 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172862651 808466640 /nfs/dbraw/zinc/46/66/40/808466640.db2.gz FEAIZDZGZKWUIL-GFCCVEGCSA-N 2 2 298.833 3.436 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172864664 808469807 /nfs/dbraw/zinc/46/98/07/808469807.db2.gz ZSDDYMKITIMBQK-QWHCGFSZSA-N 2 2 298.833 3.484 20 0 CGADLP C[NH+]1CC(C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001173115735 808516042 /nfs/dbraw/zinc/51/60/42/808516042.db2.gz IMGYODSRKLNXRI-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP CCCC[C@@H](CC(C)C)n1c[nH+]c(C)c1CC[NH3+] ZINC001173251043 808558284 /nfs/dbraw/zinc/55/82/84/808558284.db2.gz YHMTZTSSUJXAGK-AWEZNQCLSA-N 2 2 251.418 3.470 20 0 CGADLP Cc1[nH]c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2[nH+]1 ZINC001213070543 815219015 /nfs/dbraw/zinc/21/90/15/815219015.db2.gz VILYEVARGPCJGI-UHFFFAOYSA-N 2 2 292.264 3.451 20 0 CGADLP Clc1ccc2c(Nc3cc[nH+]cc3)cc[nH+]c2c1 ZINC001173881527 808736237 /nfs/dbraw/zinc/73/62/37/808736237.db2.gz XEEAHCXYDIOZAK-UHFFFAOYSA-N 2 2 255.708 3.449 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](CCCOC)C2)C1 ZINC001274936600 808892836 /nfs/dbraw/zinc/89/28/36/808892836.db2.gz IDUSKWAFSAMHDU-QGZVFWFLSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](CCCOC)C2)C1 ZINC001274936600 808892842 /nfs/dbraw/zinc/89/28/42/808892842.db2.gz IDUSKWAFSAMHDU-QGZVFWFLSA-N 2 2 296.499 3.247 20 0 CGADLP CC1=CC[C@@H](CC[NH+]2CC3(C2)CC[N@@H+](C)C3)C1(C)C ZINC001276653588 809024171 /nfs/dbraw/zinc/02/41/71/809024171.db2.gz LASXLFUWZCKRKD-HNNXBMFYSA-N 2 2 262.441 3.006 20 0 CGADLP CC1=CC[C@@H](CC[NH+]2CC3(C2)CC[N@H+](C)C3)C1(C)C ZINC001276653588 809024177 /nfs/dbraw/zinc/02/41/77/809024177.db2.gz LASXLFUWZCKRKD-HNNXBMFYSA-N 2 2 262.441 3.006 20 0 CGADLP Cc1cccc(CC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1 ZINC001276738655 809027424 /nfs/dbraw/zinc/02/74/24/809027424.db2.gz INOYEQZPYGDPFS-UHFFFAOYSA-N 2 2 298.474 3.488 20 0 CGADLP Cc1cccc(CC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001276738655 809027432 /nfs/dbraw/zinc/02/74/32/809027432.db2.gz INOYEQZPYGDPFS-UHFFFAOYSA-N 2 2 298.474 3.488 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001178640517 809881366 /nfs/dbraw/zinc/88/13/66/809881366.db2.gz WKKYTPDFDWAQQJ-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001178640517 809881371 /nfs/dbraw/zinc/88/13/71/809881371.db2.gz WKKYTPDFDWAQQJ-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001179838304 809949687 /nfs/dbraw/zinc/94/96/87/809949687.db2.gz SQAYLTQJWKYSHV-JKSUJKDBSA-N 2 2 255.365 3.006 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001182855185 810127502 /nfs/dbraw/zinc/12/75/02/810127502.db2.gz NISAJRBGOQJWEC-CVEARBPZSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001182855185 810127503 /nfs/dbraw/zinc/12/75/03/810127503.db2.gz NISAJRBGOQJWEC-CVEARBPZSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001182864620 810128678 /nfs/dbraw/zinc/12/86/78/810128678.db2.gz JWNNCKJWSUTVGC-RRFJBIMHSA-N 2 2 296.499 3.431 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001182864620 810128680 /nfs/dbraw/zinc/12/86/80/810128680.db2.gz JWNNCKJWSUTVGC-RRFJBIMHSA-N 2 2 296.499 3.431 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC001182874873 810128692 /nfs/dbraw/zinc/12/86/92/810128692.db2.gz VCJORMWWVDDUAP-FUHWJXTLSA-N 2 2 286.463 3.426 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001183146446 810138328 /nfs/dbraw/zinc/13/83/28/810138328.db2.gz WGSPTJLBVSBIFR-CVEARBPZSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001183146446 810138331 /nfs/dbraw/zinc/13/83/31/810138331.db2.gz WGSPTJLBVSBIFR-CVEARBPZSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@H](C)[N@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185203011 810245475 /nfs/dbraw/zinc/24/54/75/810245475.db2.gz BVTBEYAJUSGESC-ZDUSSCGKSA-N 2 2 297.406 3.025 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185203011 810245481 /nfs/dbraw/zinc/24/54/81/810245481.db2.gz BVTBEYAJUSGESC-ZDUSSCGKSA-N 2 2 297.406 3.025 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1nc(C)cs1 ZINC001200294120 811672262 /nfs/dbraw/zinc/67/22/62/811672262.db2.gz WLBWWEPYJXTISS-CYBMUJFWSA-N 2 2 290.436 3.153 20 0 CGADLP CC(C)[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201426681 811841440 /nfs/dbraw/zinc/84/14/40/811841440.db2.gz GNOMWMOCBQOPGE-OAHLLOKOSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201426681 811841449 /nfs/dbraw/zinc/84/14/49/811841449.db2.gz GNOMWMOCBQOPGE-OAHLLOKOSA-N 2 2 250.430 3.147 20 0 CGADLP CCCC[C@H](CC)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201566393 811907106 /nfs/dbraw/zinc/90/71/06/811907106.db2.gz SVVMYYUEABZWIO-INIZCTEOSA-N 2 2 284.488 3.245 20 0 CGADLP CCCC[C@H](CC)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201566393 811907109 /nfs/dbraw/zinc/90/71/09/811907109.db2.gz SVVMYYUEABZWIO-INIZCTEOSA-N 2 2 284.488 3.245 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccns1 ZINC001203307123 812306535 /nfs/dbraw/zinc/30/65/35/812306535.db2.gz KBORRZQVOWLLAA-SNVBAGLBSA-N 2 2 290.417 3.241 20 0 CGADLP CNc1ccc(Nc2ccc(Cn3cc[nH+]c3C)cc2)c[nH+]1 ZINC001203456474 812366041 /nfs/dbraw/zinc/36/60/41/812366041.db2.gz FLRQOQYWVIZTLL-UHFFFAOYSA-N 2 2 293.374 3.420 20 0 CGADLP Cc1ccsc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001204022615 812523559 /nfs/dbraw/zinc/52/35/59/812523559.db2.gz ZCGPOTJQMMHCHJ-UHFFFAOYSA-N 2 2 296.455 3.455 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(SC)o1 ZINC001204111131 812551903 /nfs/dbraw/zinc/55/19/03/812551903.db2.gz PGYKIXVJMZWCHK-GFCCVEGCSA-N 2 2 270.442 3.212 20 0 CGADLP CC[N@H+](Cc1cc(C)cc(C)c1)C1CC[NH+](C)CC1 ZINC001204521828 812665224 /nfs/dbraw/zinc/66/52/24/812665224.db2.gz CFKRPOPJKCPOOC-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1cc(C)cc(C)c1)C1CC[NH+](C)CC1 ZINC001204521828 812665229 /nfs/dbraw/zinc/66/52/29/812665229.db2.gz CFKRPOPJKCPOOC-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP Cc1csc2sc(C[N@@H+]3CCC[NH2+]CC3)c(C)c12 ZINC001204675153 812705727 /nfs/dbraw/zinc/70/57/27/812705727.db2.gz ITTUTPFHJVDJPG-UHFFFAOYSA-N 2 2 280.462 3.375 20 0 CGADLP Cc1csc2sc(C[N@H+]3CCC[NH2+]CC3)c(C)c12 ZINC001204675153 812705730 /nfs/dbraw/zinc/70/57/30/812705730.db2.gz ITTUTPFHJVDJPG-UHFFFAOYSA-N 2 2 280.462 3.375 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204885442 812763374 /nfs/dbraw/zinc/76/33/74/812763374.db2.gz VQRYQYQNJZWCGG-KRWDZBQOSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001204885442 812763380 /nfs/dbraw/zinc/76/33/80/812763380.db2.gz VQRYQYQNJZWCGG-KRWDZBQOSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001205094445 812861373 /nfs/dbraw/zinc/86/13/73/812861373.db2.gz MIGCSSRWZCZBEF-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001205094445 812861382 /nfs/dbraw/zinc/86/13/82/812861382.db2.gz MIGCSSRWZCZBEF-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205182986 812900685 /nfs/dbraw/zinc/90/06/85/812900685.db2.gz UUKQOEUDIFJCCV-FZKQIMNGSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001205182986 812900693 /nfs/dbraw/zinc/90/06/93/812900693.db2.gz UUKQOEUDIFJCCV-FZKQIMNGSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205189915 812902777 /nfs/dbraw/zinc/90/27/77/812902777.db2.gz IDEXNRQQHDCKKC-BFUOFWGJSA-N 2 2 278.399 3.179 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001205189915 812902782 /nfs/dbraw/zinc/90/27/82/812902782.db2.gz IDEXNRQQHDCKKC-BFUOFWGJSA-N 2 2 278.399 3.179 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205263866 812921295 /nfs/dbraw/zinc/92/12/95/812921295.db2.gz DGHAQCUFYSKPRT-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Cl ZINC001205263866 812921302 /nfs/dbraw/zinc/92/13/02/812921302.db2.gz DGHAQCUFYSKPRT-HNNXBMFYSA-N 2 2 284.806 3.491 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)s1 ZINC001205324438 812955241 /nfs/dbraw/zinc/95/52/41/812955241.db2.gz BLBCBVYMZIXPRS-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)s1 ZINC001205324438 812955249 /nfs/dbraw/zinc/95/52/49/812955249.db2.gz BLBCBVYMZIXPRS-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001205541955 812998158 /nfs/dbraw/zinc/99/81/58/812998158.db2.gz VDRDPOQYMSPVRI-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP CCC1(CC)[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001205541955 812998163 /nfs/dbraw/zinc/99/81/63/812998163.db2.gz VDRDPOQYMSPVRI-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP CSC(C)(C)CC[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001205541935 812998326 /nfs/dbraw/zinc/99/83/26/812998326.db2.gz UNTUSTPDRZBCGA-UHFFFAOYSA-N 2 2 272.502 3.230 20 0 CGADLP CSC(C)(C)CC[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001205541935 812998331 /nfs/dbraw/zinc/99/83/31/812998331.db2.gz UNTUSTPDRZBCGA-UHFFFAOYSA-N 2 2 272.502 3.230 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895167 813121248 /nfs/dbraw/zinc/12/12/48/813121248.db2.gz AFIQVAPGVPSUAT-LPUOJRKPSA-N 2 2 256.409 3.274 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895167 813121253 /nfs/dbraw/zinc/12/12/53/813121253.db2.gz AFIQVAPGVPSUAT-LPUOJRKPSA-N 2 2 256.409 3.274 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901479 813122537 /nfs/dbraw/zinc/12/25/37/813122537.db2.gz COOUBPOFXTYIII-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001205901479 813122540 /nfs/dbraw/zinc/12/25/40/813122540.db2.gz COOUBPOFXTYIII-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205913224 813129473 /nfs/dbraw/zinc/12/94/73/813129473.db2.gz HQWWCLMLCQMAGC-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205913224 813129476 /nfs/dbraw/zinc/12/94/76/813129476.db2.gz HQWWCLMLCQMAGC-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP CC[N@@H+]1CCC[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC001206048337 813180488 /nfs/dbraw/zinc/18/04/88/813180488.db2.gz RWABSVUPTFUTQL-QGZVFWFLSA-N 2 2 298.434 3.385 20 0 CGADLP CC[N@H+]1CCC[C@@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC001206048337 813180494 /nfs/dbraw/zinc/18/04/94/813180494.db2.gz RWABSVUPTFUTQL-QGZVFWFLSA-N 2 2 298.434 3.385 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-c3ccsc3)cs2)C[C@H]1[NH3+] ZINC001206070839 813190677 /nfs/dbraw/zinc/19/06/77/813190677.db2.gz UWJKQIJQSQRMAF-QMTHXVAHSA-N 2 2 278.446 3.256 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-c3ccsc3)cs2)C[C@H]1[NH3+] ZINC001206070839 813190682 /nfs/dbraw/zinc/19/06/82/813190682.db2.gz UWJKQIJQSQRMAF-QMTHXVAHSA-N 2 2 278.446 3.256 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2CCc2ccccc2)C[C@H]1[NH3+] ZINC001206075703 813192107 /nfs/dbraw/zinc/19/21/07/813192107.db2.gz VLGUUKCGOKHZCV-OXQOHEQNSA-N 2 2 294.442 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2CCc2ccccc2)C[C@H]1[NH3+] ZINC001206075703 813192110 /nfs/dbraw/zinc/19/21/10/813192110.db2.gz VLGUUKCGOKHZCV-OXQOHEQNSA-N 2 2 294.442 3.251 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2Cl)CC[C@H]1F ZINC001206153987 813216178 /nfs/dbraw/zinc/21/61/78/813216178.db2.gz FYLDHRUOUKPPGM-HUUCEWRRSA-N 2 2 284.806 3.034 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2Cl)CC[C@H]1F ZINC001206153987 813216182 /nfs/dbraw/zinc/21/61/82/813216182.db2.gz FYLDHRUOUKPPGM-HUUCEWRRSA-N 2 2 284.806 3.034 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCCc2ccccc2)C1 ZINC001206337270 813293779 /nfs/dbraw/zinc/29/37/79/813293779.db2.gz RMCDKAQGYBQMSH-KRWDZBQOSA-N 2 2 278.415 3.162 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC001206337270 813293780 /nfs/dbraw/zinc/29/37/80/813293780.db2.gz RMCDKAQGYBQMSH-KRWDZBQOSA-N 2 2 278.415 3.162 20 0 CGADLP C1C([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC12CCCC2 ZINC001206477623 813330375 /nfs/dbraw/zinc/33/03/75/813330375.db2.gz PZRNXQXPESEHFZ-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C1C([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC12CCCC2 ZINC001206477623 813330383 /nfs/dbraw/zinc/33/03/83/813330383.db2.gz PZRNXQXPESEHFZ-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cs1 ZINC001206547727 813346852 /nfs/dbraw/zinc/34/68/52/813346852.db2.gz FQOWQOWWOLXKRQ-HNNXBMFYSA-N 2 2 281.469 3.217 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cs1 ZINC001206547727 813346858 /nfs/dbraw/zinc/34/68/58/813346858.db2.gz FQOWQOWWOLXKRQ-HNNXBMFYSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001206556254 813352597 /nfs/dbraw/zinc/35/25/97/813352597.db2.gz PPOATPABXABDOO-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001206556254 813352604 /nfs/dbraw/zinc/35/26/04/813352604.db2.gz PPOATPABXABDOO-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP Cc1[nH+]c2ccccn2c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206724067 813408650 /nfs/dbraw/zinc/40/86/50/813408650.db2.gz WBMWWYWKVUMMAJ-UHFFFAOYSA-N 2 2 281.363 3.156 20 0 CGADLP Cc1csc2sc(C[NH+]3CC(C)(C[NH3+])C3)c(C)c12 ZINC001206730355 813410407 /nfs/dbraw/zinc/41/04/07/813410407.db2.gz TYYTVKSPTSFERZ-UHFFFAOYSA-N 2 2 280.462 3.360 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc2c(c1)[nH+]cn2C ZINC001206742757 813415980 /nfs/dbraw/zinc/41/59/80/813415980.db2.gz IIBOHKFYBFIOHE-UHFFFAOYSA-N 2 2 281.363 3.086 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC001206776903 813435434 /nfs/dbraw/zinc/43/54/34/813435434.db2.gz IUGSNRSMESAXAI-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC001206776903 813435442 /nfs/dbraw/zinc/43/54/42/813435442.db2.gz IUGSNRSMESAXAI-GDBMZVCRSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccn2)CC1 ZINC001206853641 813453720 /nfs/dbraw/zinc/45/37/20/813453720.db2.gz VXKQOPJMRHWOFN-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccn2)CC1 ZINC001206853641 813453725 /nfs/dbraw/zinc/45/37/25/813453725.db2.gz VXKQOPJMRHWOFN-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP Cc1ncccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207153592 813499461 /nfs/dbraw/zinc/49/94/61/813499461.db2.gz CQCXERWENGINKB-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1ncccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207153592 813499465 /nfs/dbraw/zinc/49/94/65/813499465.db2.gz CQCXERWENGINKB-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191959 813511230 /nfs/dbraw/zinc/51/12/30/813511230.db2.gz NXYWSIYDNBSPFV-RHSMWYFYSA-N 2 2 290.838 3.224 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207191959 813511237 /nfs/dbraw/zinc/51/12/37/813511237.db2.gz NXYWSIYDNBSPFV-RHSMWYFYSA-N 2 2 290.838 3.224 20 0 CGADLP Cc1cccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001207534489 813589071 /nfs/dbraw/zinc/58/90/71/813589071.db2.gz KRVTZTZDBVBFHT-UHFFFAOYSA-N 2 2 296.414 3.476 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC001207590426 813602259 /nfs/dbraw/zinc/60/22/59/813602259.db2.gz KNIXIFVQFKGISE-UHFFFAOYSA-N 2 2 278.827 3.053 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC001207590426 813602262 /nfs/dbraw/zinc/60/22/62/813602262.db2.gz KNIXIFVQFKGISE-UHFFFAOYSA-N 2 2 278.827 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)C[C@H]21 ZINC001207609349 813612529 /nfs/dbraw/zinc/61/25/29/813612529.db2.gz WCVOEFDGKDPCOM-IAGOWNOFSA-N 2 2 264.457 3.373 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)C[C@H]21 ZINC001207609349 813612533 /nfs/dbraw/zinc/61/25/33/813612533.db2.gz WCVOEFDGKDPCOM-IAGOWNOFSA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609349 813612538 /nfs/dbraw/zinc/61/25/38/813612538.db2.gz WCVOEFDGKDPCOM-IAGOWNOFSA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609349 813612544 /nfs/dbraw/zinc/61/25/44/813612544.db2.gz WCVOEFDGKDPCOM-IAGOWNOFSA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC([N@H+](CC2CCSCC2)C2CCCC2)CC1 ZINC001207761972 813647011 /nfs/dbraw/zinc/64/70/11/813647011.db2.gz SGLJPZIXTKKJIS-UHFFFAOYSA-N 2 2 296.524 3.468 20 0 CGADLP C[NH+]1CCC([N@@H+](CC2CCSCC2)C2CCCC2)CC1 ZINC001207761972 813647016 /nfs/dbraw/zinc/64/70/16/813647016.db2.gz SGLJPZIXTKKJIS-UHFFFAOYSA-N 2 2 296.524 3.468 20 0 CGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242678015 823096860 /nfs/dbraw/zinc/09/68/60/823096860.db2.gz VXOKDGUHKJKEGQ-UHFFFAOYSA-N 2 2 291.354 3.151 20 0 CGADLP CN(C)c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001242691211 823101285 /nfs/dbraw/zinc/10/12/85/823101285.db2.gz DQZOIPQOKAFSRO-MRXNPFEDSA-N 2 2 271.408 3.179 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001209734157 814124897 /nfs/dbraw/zinc/12/48/97/814124897.db2.gz LXYPHMDKTGLXRA-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001209734157 814124901 /nfs/dbraw/zinc/12/49/01/814124901.db2.gz LXYPHMDKTGLXRA-MRXNPFEDSA-N 2 2 287.794 3.485 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccn3cc(C)[nH+]c23)c1F ZINC001216220593 815741991 /nfs/dbraw/zinc/74/19/91/815741991.db2.gz QVYJBJQUXQFAHF-UHFFFAOYSA-N 2 2 284.338 3.245 20 0 CGADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243578 816385281 /nfs/dbraw/zinc/38/52/81/816385281.db2.gz MHRSUOMNKSMOJU-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1oc2ccccc2c1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243578 816385289 /nfs/dbraw/zinc/38/52/89/816385289.db2.gz MHRSUOMNKSMOJU-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222345972 816415255 /nfs/dbraw/zinc/41/52/55/816415255.db2.gz NZUMSUQHKVAQRV-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222345972 816415256 /nfs/dbraw/zinc/41/52/56/816415256.db2.gz NZUMSUQHKVAQRV-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c12 ZINC001222359898 816418697 /nfs/dbraw/zinc/41/86/97/816418697.db2.gz BFHSJYSACSUKFV-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c12 ZINC001222359898 816418702 /nfs/dbraw/zinc/41/87/02/816418702.db2.gz BFHSJYSACSUKFV-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385565 816425450 /nfs/dbraw/zinc/42/54/50/816425450.db2.gz QIZOFLQILUGECO-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP c1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385565 816425453 /nfs/dbraw/zinc/42/54/53/816425453.db2.gz QIZOFLQILUGECO-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2ccccc21 ZINC001222385622 816427416 /nfs/dbraw/zinc/42/74/16/816427416.db2.gz RTFDOKULZSCNER-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c2ccccc21 ZINC001222385622 816427420 /nfs/dbraw/zinc/42/74/20/816427420.db2.gz RTFDOKULZSCNER-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222420182 816440431 /nfs/dbraw/zinc/44/04/31/816440431.db2.gz BMYJCJXJTVGIBE-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222420182 816440435 /nfs/dbraw/zinc/44/04/35/816440435.db2.gz BMYJCJXJTVGIBE-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001242997746 823205270 /nfs/dbraw/zinc/20/52/70/823205270.db2.gz ZGRHPAVVQNZAIW-UHFFFAOYSA-N 2 2 263.344 3.259 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cc3ccccc3[nH]2)C1 ZINC001243106316 823249437 /nfs/dbraw/zinc/24/94/37/823249437.db2.gz JRNKVEGVJDRNLR-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cc3ccccc3[nH]2)C1 ZINC001243106316 823249439 /nfs/dbraw/zinc/24/94/39/823249439.db2.gz JRNKVEGVJDRNLR-INIZCTEOSA-N 2 2 291.398 3.368 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(F)c(C)c2)CC1 ZINC001231931279 818213999 /nfs/dbraw/zinc/21/39/99/818213999.db2.gz VLQZSBGPWQJRDW-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(F)c(C)c2)CC1 ZINC001231931279 818214005 /nfs/dbraw/zinc/21/40/05/818214005.db2.gz VLQZSBGPWQJRDW-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(F)cc2C)CC1 ZINC001231986098 818223137 /nfs/dbraw/zinc/22/31/37/818223137.db2.gz FYAQRIYWEPKRAA-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(F)cc2C)CC1 ZINC001231986098 818223143 /nfs/dbraw/zinc/22/31/43/818223143.db2.gz FYAQRIYWEPKRAA-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1F ZINC001232145213 818264695 /nfs/dbraw/zinc/26/46/95/818264695.db2.gz YLLKYKJHQQHKKT-MLGOLLRUSA-N 2 2 282.378 3.067 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1F ZINC001232145213 818264701 /nfs/dbraw/zinc/26/47/01/818264701.db2.gz YLLKYKJHQQHKKT-MLGOLLRUSA-N 2 2 282.378 3.067 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1-n1cccc1 ZINC001232912893 818473079 /nfs/dbraw/zinc/47/30/79/818473079.db2.gz ZBVXXGAVDKNCJD-UHFFFAOYSA-N 2 2 294.402 3.196 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1-n1cccc1 ZINC001232912893 818473082 /nfs/dbraw/zinc/47/30/82/818473082.db2.gz ZBVXXGAVDKNCJD-UHFFFAOYSA-N 2 2 294.402 3.196 20 0 CGADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1O ZINC001233234960 818547882 /nfs/dbraw/zinc/54/78/82/818547882.db2.gz KFNYEFMICAEZMS-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235004926 818976982 /nfs/dbraw/zinc/97/69/82/818976982.db2.gz CXVZGHRFOTWOOU-HNAYVOBHSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001235004926 818976985 /nfs/dbraw/zinc/97/69/85/818976985.db2.gz CXVZGHRFOTWOOU-HNAYVOBHSA-N 2 2 296.389 3.286 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001235034078 818984691 /nfs/dbraw/zinc/98/46/91/818984691.db2.gz UODSIEIYBDOZBN-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001235034078 818984696 /nfs/dbraw/zinc/98/46/96/818984696.db2.gz UODSIEIYBDOZBN-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167046 819021413 /nfs/dbraw/zinc/02/14/13/819021413.db2.gz YATMBIZVPQJZNE-OWCLPIDISA-N 2 2 250.430 3.182 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167046 819021414 /nfs/dbraw/zinc/02/14/14/819021414.db2.gz YATMBIZVPQJZNE-OWCLPIDISA-N 2 2 250.430 3.182 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188454 819027470 /nfs/dbraw/zinc/02/74/70/819027470.db2.gz POKCTDWQGRYGRN-GXTWGEPZSA-N 2 2 272.417 3.003 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188454 819027477 /nfs/dbraw/zinc/02/74/77/819027477.db2.gz POKCTDWQGRYGRN-GXTWGEPZSA-N 2 2 272.417 3.003 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235238861 819044584 /nfs/dbraw/zinc/04/45/84/819044584.db2.gz BNVNIQRBDJBZSC-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235238861 819044587 /nfs/dbraw/zinc/04/45/87/819044587.db2.gz BNVNIQRBDJBZSC-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP c1ccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235440392 819099350 /nfs/dbraw/zinc/09/93/50/819099350.db2.gz HRUSJMZTOPXHRT-QGZVFWFLSA-N 2 2 258.409 3.008 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1Cl ZINC001235677341 819138425 /nfs/dbraw/zinc/13/84/25/819138425.db2.gz ZWAQHCRWAGKNAX-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1Cl ZINC001235677341 819138430 /nfs/dbraw/zinc/13/84/30/819138430.db2.gz ZWAQHCRWAGKNAX-LLVKDONJSA-N 2 2 287.234 3.473 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001235724976 819153525 /nfs/dbraw/zinc/15/35/25/819153525.db2.gz FZCVYTCBYRZORL-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001235727675 819154574 /nfs/dbraw/zinc/15/45/74/819154574.db2.gz VVEBMMXNATZJJI-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001235727675 819154577 /nfs/dbraw/zinc/15/45/77/819154577.db2.gz VVEBMMXNATZJJI-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]CC)CC2)cc1 ZINC001235726542 819155619 /nfs/dbraw/zinc/15/56/19/819155619.db2.gz SOOBKZYSRRKPNW-UHFFFAOYSA-N 2 2 290.451 3.439 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958691 819245104 /nfs/dbraw/zinc/24/51/04/819245104.db2.gz BMUAYDCWERBMKS-SCAQPMJSSA-N 2 2 288.435 3.033 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958691 819245111 /nfs/dbraw/zinc/24/51/11/819245111.db2.gz BMUAYDCWERBMKS-SCAQPMJSSA-N 2 2 288.435 3.033 20 0 CGADLP CC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]C1 ZINC001236008502 819271940 /nfs/dbraw/zinc/27/19/40/819271940.db2.gz RQTJUKRJPCJXAY-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]C1 ZINC001236008502 819271948 /nfs/dbraw/zinc/27/19/48/819271948.db2.gz RQTJUKRJPCJXAY-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCC[NH2+]C1 ZINC001236008519 819272932 /nfs/dbraw/zinc/27/29/32/819272932.db2.gz RUJVYTQBESMLNV-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCC[NH2+]C1 ZINC001236008519 819272938 /nfs/dbraw/zinc/27/29/38/819272938.db2.gz RUJVYTQBESMLNV-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010984 819273360 /nfs/dbraw/zinc/27/33/60/819273360.db2.gz VFUGLADBROUDFP-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236010984 819273366 /nfs/dbraw/zinc/27/33/66/819273366.db2.gz VFUGLADBROUDFP-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236011399 819273864 /nfs/dbraw/zinc/27/38/64/819273864.db2.gz YLBDGGRPADAURY-INIZCTEOSA-N 2 2 284.403 3.119 20 0 CGADLP CC[N@@H+](Cc1cc(O)cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001236011399 819273868 /nfs/dbraw/zinc/27/38/68/819273868.db2.gz YLBDGGRPADAURY-INIZCTEOSA-N 2 2 284.403 3.119 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc12 ZINC001236060396 819293430 /nfs/dbraw/zinc/29/34/30/819293430.db2.gz PMVOIEOBYOQPJT-HOCLYGCPSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c2ccccc12 ZINC001236060396 819293437 /nfs/dbraw/zinc/29/34/37/819293437.db2.gz PMVOIEOBYOQPJT-HOCLYGCPSA-N 2 2 296.414 3.032 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001236069186 819299301 /nfs/dbraw/zinc/29/93/01/819299301.db2.gz WYGPSPLZHKVZBA-NSHDSACASA-N 2 2 284.856 3.103 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001236069186 819299308 /nfs/dbraw/zinc/29/93/08/819299308.db2.gz WYGPSPLZHKVZBA-NSHDSACASA-N 2 2 284.856 3.103 20 0 CGADLP [NH3+]Cc1ccc(C[N@@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001236086883 819308555 /nfs/dbraw/zinc/30/85/55/819308555.db2.gz VPHDXWYBDMXJGD-UHFFFAOYSA-N 2 2 292.382 3.450 20 0 CGADLP [NH3+]Cc1ccc(C[N@H+]2CCc3c4ccccc4oc3C2)cc1 ZINC001236086883 819308559 /nfs/dbraw/zinc/30/85/59/819308559.db2.gz VPHDXWYBDMXJGD-UHFFFAOYSA-N 2 2 292.382 3.450 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)[C@H](Oc1ccccc1)c1ccccc1 ZINC001236160833 819350325 /nfs/dbraw/zinc/35/03/25/819350325.db2.gz JRWDCJWARZKBHR-BXWFABGCSA-N 2 2 298.430 3.474 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)[C@H](Oc1ccccc1)c1ccccc1 ZINC001236160833 819350333 /nfs/dbraw/zinc/35/03/33/819350333.db2.gz JRWDCJWARZKBHR-BXWFABGCSA-N 2 2 298.430 3.474 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001236171959 819354457 /nfs/dbraw/zinc/35/44/57/819354457.db2.gz AITFFSAMDKGQSD-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001236171959 819354463 /nfs/dbraw/zinc/35/44/63/819354463.db2.gz AITFFSAMDKGQSD-OAHLLOKOSA-N 2 2 288.341 3.165 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236206451 819369095 /nfs/dbraw/zinc/36/90/95/819369095.db2.gz KSTWWIJCNAPZSF-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236206451 819369098 /nfs/dbraw/zinc/36/90/98/819369098.db2.gz KSTWWIJCNAPZSF-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[N@H+](Cc1cccc(C(F)F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207351 819370697 /nfs/dbraw/zinc/37/06/97/819370697.db2.gz NFLSALLMZYEMFY-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207351 819370703 /nfs/dbraw/zinc/37/07/03/819370703.db2.gz NFLSALLMZYEMFY-HNNXBMFYSA-N 2 2 268.351 3.198 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1OC(C)C ZINC001236218853 819386302 /nfs/dbraw/zinc/38/63/02/819386302.db2.gz UIFPADOQXFLPCU-IRXDYDNUSA-N 2 2 290.451 3.484 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1OC(C)C ZINC001236218853 819386309 /nfs/dbraw/zinc/38/63/09/819386309.db2.gz UIFPADOQXFLPCU-IRXDYDNUSA-N 2 2 290.451 3.484 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238416 819398539 /nfs/dbraw/zinc/39/85/39/819398539.db2.gz FBKCQLZCJJQYCU-QGZVFWFLSA-N 2 2 297.446 3.378 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236238416 819398546 /nfs/dbraw/zinc/39/85/46/819398546.db2.gz FBKCQLZCJJQYCU-QGZVFWFLSA-N 2 2 297.446 3.378 20 0 CGADLP CCc1cccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236241690 819401381 /nfs/dbraw/zinc/40/13/81/819401381.db2.gz UHBFYZIPJHTKHL-KRWDZBQOSA-N 2 2 297.446 3.447 20 0 CGADLP CCc1cccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236241690 819401385 /nfs/dbraw/zinc/40/13/85/819401385.db2.gz UHBFYZIPJHTKHL-KRWDZBQOSA-N 2 2 297.446 3.447 20 0 CGADLP CCC[C@@H](C)C[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236437873 819479780 /nfs/dbraw/zinc/47/97/80/819479780.db2.gz RSUBRLGHFUXLBC-NVXWUHKLSA-N 2 2 275.440 3.072 20 0 CGADLP CCC[C@@H](C)C[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001236437873 819479784 /nfs/dbraw/zinc/47/97/84/819479784.db2.gz RSUBRLGHFUXLBC-NVXWUHKLSA-N 2 2 275.440 3.072 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477823 819495542 /nfs/dbraw/zinc/49/55/42/819495542.db2.gz OMRNUWGVPQKSFL-QGZVFWFLSA-N 2 2 278.415 3.344 20 0 CGADLP Cc1cc(F)cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236477823 819495545 /nfs/dbraw/zinc/49/55/45/819495545.db2.gz OMRNUWGVPQKSFL-QGZVFWFLSA-N 2 2 278.415 3.344 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530888 819522702 /nfs/dbraw/zinc/52/27/02/819522702.db2.gz VIWFZAWGVJEPOI-HNNXBMFYSA-N 2 2 264.388 3.015 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236530888 819522707 /nfs/dbraw/zinc/52/27/07/819522707.db2.gz VIWFZAWGVJEPOI-HNNXBMFYSA-N 2 2 264.388 3.015 20 0 CGADLP CC1(C)C[C@@H](C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649384 819561345 /nfs/dbraw/zinc/56/13/45/819561345.db2.gz XOZSLEOSIULWDH-RDJZCZTQSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@@H](C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649384 819561347 /nfs/dbraw/zinc/56/13/47/819561347.db2.gz XOZSLEOSIULWDH-RDJZCZTQSA-N 2 2 294.483 3.188 20 0 CGADLP CC[NH+](CC)Cc1cc(C)ccc1-c1ccc[nH+]c1N ZINC001243476303 823414857 /nfs/dbraw/zinc/41/48/57/823414857.db2.gz AKYJRPUEDPRJBZ-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C(C)C)c(OC)cc1C ZINC001236871083 819628005 /nfs/dbraw/zinc/62/80/05/819628005.db2.gz XDDJURFBPGIOEX-HNNXBMFYSA-N 2 2 278.440 3.296 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C(C)C)c(OC)cc1C ZINC001236871083 819628008 /nfs/dbraw/zinc/62/80/08/819628008.db2.gz XDDJURFBPGIOEX-HNNXBMFYSA-N 2 2 278.440 3.296 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001236908587 819636400 /nfs/dbraw/zinc/63/64/00/819636400.db2.gz LLOZZQGLBNTBKK-HNNXBMFYSA-N 2 2 297.446 3.199 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001236908587 819636404 /nfs/dbraw/zinc/63/64/04/819636404.db2.gz LLOZZQGLBNTBKK-HNNXBMFYSA-N 2 2 297.446 3.199 20 0 CGADLP [NH3+]CCCCC[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001237040917 819648301 /nfs/dbraw/zinc/64/83/01/819648301.db2.gz CNRFANNZHBOXGH-MRXNPFEDSA-N 2 2 296.405 3.315 20 0 CGADLP [NH3+]CCCCC[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001237040917 819648307 /nfs/dbraw/zinc/64/83/07/819648307.db2.gz CNRFANNZHBOXGH-MRXNPFEDSA-N 2 2 296.405 3.315 20 0 CGADLP Clc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237143355 819676466 /nfs/dbraw/zinc/67/64/66/819676466.db2.gz DQAPUTRFOZQPDD-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237143355 819676471 /nfs/dbraw/zinc/67/64/71/819676471.db2.gz DQAPUTRFOZQPDD-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1F ZINC001237142812 819676585 /nfs/dbraw/zinc/67/65/85/819676585.db2.gz BYVWEPCYPOLURO-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1F ZINC001237142812 819676587 /nfs/dbraw/zinc/67/65/87/819676587.db2.gz BYVWEPCYPOLURO-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP c1cc2ccc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001237146659 819678233 /nfs/dbraw/zinc/67/82/33/819678233.db2.gz URQISNJHAOSVLZ-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001237146659 819678237 /nfs/dbraw/zinc/67/82/37/819678237.db2.gz URQISNJHAOSVLZ-KRWDZBQOSA-N 2 2 283.419 3.274 20 0 CGADLP CCOc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237155567 819682516 /nfs/dbraw/zinc/68/25/16/819682516.db2.gz SGNPEZDGRWZHNG-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237155567 819682518 /nfs/dbraw/zinc/68/25/18/819682518.db2.gz SGNPEZDGRWZHNG-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155572 819682909 /nfs/dbraw/zinc/68/29/09/819682909.db2.gz SJPGFUYJKUJLCW-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155572 819682911 /nfs/dbraw/zinc/68/29/11/819682911.db2.gz SJPGFUYJKUJLCW-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001237203475 819697445 /nfs/dbraw/zinc/69/74/45/819697445.db2.gz HBNBGULOHMFMHI-WBMJQRKESA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001237203475 819697449 /nfs/dbraw/zinc/69/74/49/819697449.db2.gz HBNBGULOHMFMHI-WBMJQRKESA-N 2 2 272.417 3.337 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237204629 819698348 /nfs/dbraw/zinc/69/83/48/819698348.db2.gz QSYMHJCCXHYCNE-PWSUYJOCSA-N 2 2 260.406 3.131 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383950 819737796 /nfs/dbraw/zinc/73/77/96/819737796.db2.gz TUOCWJVCKKWELJ-LSDHHAIUSA-N 2 2 280.362 3.198 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383950 819737800 /nfs/dbraw/zinc/73/78/00/819737800.db2.gz TUOCWJVCKKWELJ-LSDHHAIUSA-N 2 2 280.362 3.198 20 0 CGADLP COc1c(C)cccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001237515166 819769146 /nfs/dbraw/zinc/76/91/46/819769146.db2.gz WQGZAIIOXAKWCZ-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001237710836 819815832 /nfs/dbraw/zinc/81/58/32/819815832.db2.gz MKKCSIHZQAWUQA-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(SC)c1 ZINC001238684348 820082208 /nfs/dbraw/zinc/08/22/08/820082208.db2.gz YXAFPVPTXLPHFH-UHFFFAOYSA-N 2 2 289.448 3.436 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(SC)c1 ZINC001238684348 820082220 /nfs/dbraw/zinc/08/22/20/820082220.db2.gz YXAFPVPTXLPHFH-UHFFFAOYSA-N 2 2 289.448 3.436 20 0 CGADLP COc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1C ZINC001238994779 820187864 /nfs/dbraw/zinc/18/78/64/820187864.db2.gz BZKMQMMQDHKSLH-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1C ZINC001238994779 820187867 /nfs/dbraw/zinc/18/78/67/820187867.db2.gz BZKMQMMQDHKSLH-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1C ZINC001238996842 820188896 /nfs/dbraw/zinc/18/88/96/820188896.db2.gz XICWRPFKZFSBCT-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1C ZINC001238996842 820188900 /nfs/dbraw/zinc/18/89/00/820188900.db2.gz XICWRPFKZFSBCT-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)cc2)C1 ZINC001239707062 820535547 /nfs/dbraw/zinc/53/55/47/820535547.db2.gz DQMKUCCADLHASX-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)cc2)C1 ZINC001239707062 820535551 /nfs/dbraw/zinc/53/55/51/820535551.db2.gz DQMKUCCADLHASX-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239823424 820639092 /nfs/dbraw/zinc/63/90/92/820639092.db2.gz QGYZKNDXOCUIJJ-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239823424 820639097 /nfs/dbraw/zinc/63/90/97/820639097.db2.gz QGYZKNDXOCUIJJ-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP c1cn2cc(-c3ccc(C[NH+]4CCC4)cc3)ccc2[nH+]1 ZINC001240218890 820892443 /nfs/dbraw/zinc/89/24/43/820892443.db2.gz OAEWIYHZJSUHAN-UHFFFAOYSA-N 2 2 263.344 3.207 20 0 CGADLP c1cn(Cc2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)c[nH+]1 ZINC001240456977 821069300 /nfs/dbraw/zinc/06/93/00/821069300.db2.gz RSLVJERGIXUQGD-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP Nc1cc(-c2cc(F)c(C[NH+]3CCCC3)c(F)c2)cc[nH+]1 ZINC001241175996 821618847 /nfs/dbraw/zinc/61/88/47/821618847.db2.gz QNKWZFAQKVHJFT-UHFFFAOYSA-N 2 2 289.329 3.205 20 0 CGADLP Cc1cc(-c2cccc(OCC[NH+](C)C)c2)cc(C)[nH+]1 ZINC001241994892 822264052 /nfs/dbraw/zinc/26/40/52/822264052.db2.gz WAHIVICDGJNDRR-UHFFFAOYSA-N 2 2 270.376 3.306 20 0 CGADLP Cc1cc(-c2ccc3c(c2)CC[N@@H+](C)C3)cc(C)[nH+]1 ZINC001241995204 822265421 /nfs/dbraw/zinc/26/54/21/822265421.db2.gz YXUQBJGHIKZQLR-UHFFFAOYSA-N 2 2 252.361 3.353 20 0 CGADLP Cc1cc(-c2ccc3c(c2)CC[N@H+](C)C3)cc(C)[nH+]1 ZINC001241995204 822265428 /nfs/dbraw/zinc/26/54/28/822265428.db2.gz YXUQBJGHIKZQLR-UHFFFAOYSA-N 2 2 252.361 3.353 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001242077522 822337806 /nfs/dbraw/zinc/33/78/06/822337806.db2.gz DWXBIRDSWDMGEK-MRXNPFEDSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001242077522 822337815 /nfs/dbraw/zinc/33/78/15/822337815.db2.gz DWXBIRDSWDMGEK-MRXNPFEDSA-N 2 2 282.391 3.191 20 0 CGADLP CN(C)c1cc(-c2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001242118424 822884134 /nfs/dbraw/zinc/88/41/34/822884134.db2.gz MMYSXGVDFSQPOX-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000227871428 927544678 /nfs/dbraw/zinc/54/46/78/927544678.db2.gz FMALOMHZCOXPCX-DJIMGWMZSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC12CCC(CC1)C2 ZINC001459628076 937494261 /nfs/dbraw/zinc/49/42/61/937494261.db2.gz AMVDPFYHROYWGG-GMRIPVOYSA-N 2 2 262.441 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC12CCC(CC1)C2 ZINC001459628076 937494263 /nfs/dbraw/zinc/49/42/63/937494263.db2.gz AMVDPFYHROYWGG-GMRIPVOYSA-N 2 2 262.441 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC12CCC(CC1)C2 ZINC001459628076 937494265 /nfs/dbraw/zinc/49/42/65/937494265.db2.gz AMVDPFYHROYWGG-GMRIPVOYSA-N 2 2 262.441 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC12CCC(CC1)C2 ZINC001459628076 937494267 /nfs/dbraw/zinc/49/42/67/937494267.db2.gz AMVDPFYHROYWGG-GMRIPVOYSA-N 2 2 262.441 3.125 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC001460144533 937518257 /nfs/dbraw/zinc/51/82/57/937518257.db2.gz NBALWUBYIQYLRP-RNONSGAXSA-N 2 2 264.457 3.133 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC001460144533 937518260 /nfs/dbraw/zinc/51/82/60/937518260.db2.gz NBALWUBYIQYLRP-RNONSGAXSA-N 2 2 264.457 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1C ZINC001460987826 937557994 /nfs/dbraw/zinc/55/79/94/937557994.db2.gz FBLODBCYQYZAOE-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1C ZINC001460987826 937557996 /nfs/dbraw/zinc/55/79/96/937557996.db2.gz FBLODBCYQYZAOE-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC001461797495 937597895 /nfs/dbraw/zinc/59/78/95/937597895.db2.gz IUYZKWRVJVNMCN-MRXNPFEDSA-N 2 2 285.366 3.064 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC001331991597 932730011 /nfs/dbraw/zinc/73/00/11/932730011.db2.gz WPHIVMRLYGIUKR-CQSZACIVSA-N 2 2 294.464 3.452 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC001331991597 932730014 /nfs/dbraw/zinc/73/00/14/932730014.db2.gz WPHIVMRLYGIUKR-CQSZACIVSA-N 2 2 294.464 3.452 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001307131190 932918020 /nfs/dbraw/zinc/91/80/20/932918020.db2.gz CRGFEOUULYUVFK-CYBMUJFWSA-N 2 2 290.455 3.196 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001307131190 932918024 /nfs/dbraw/zinc/91/80/24/932918024.db2.gz CRGFEOUULYUVFK-CYBMUJFWSA-N 2 2 290.455 3.196 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2C)C1 ZINC001462505216 937645912 /nfs/dbraw/zinc/64/59/12/937645912.db2.gz MOPGOIBSZDGQKJ-GOSISDBHSA-N 2 2 274.452 3.310 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2C)C1 ZINC001462505216 937645915 /nfs/dbraw/zinc/64/59/15/937645915.db2.gz MOPGOIBSZDGQKJ-GOSISDBHSA-N 2 2 274.452 3.310 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC001462592566 937652567 /nfs/dbraw/zinc/65/25/67/937652567.db2.gz MWCLCFXJRPGIIE-RHSMWYFYSA-N 2 2 274.452 3.209 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC001462592566 937652569 /nfs/dbraw/zinc/65/25/69/937652569.db2.gz MWCLCFXJRPGIIE-RHSMWYFYSA-N 2 2 274.452 3.209 20 0 CGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001462642314 937656179 /nfs/dbraw/zinc/65/61/79/937656179.db2.gz FFHOYQPOEITSIS-HRCADAONSA-N 2 2 284.488 3.146 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC001308261676 933082784 /nfs/dbraw/zinc/08/27/84/933082784.db2.gz SSUASTGKCKTOKR-HZPDHXFCSA-N 2 2 290.451 3.132 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001308297008 933091734 /nfs/dbraw/zinc/09/17/34/933091734.db2.gz CESQJKRPMPBKFD-DAXSKMNVSA-N 2 2 285.366 3.326 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671037 937658536 /nfs/dbraw/zinc/65/85/36/937658536.db2.gz SQDSNLFKJLGUEO-KFWWJZLASA-N 2 2 275.440 3.474 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671037 937658537 /nfs/dbraw/zinc/65/85/37/937658537.db2.gz SQDSNLFKJLGUEO-KFWWJZLASA-N 2 2 275.440 3.474 20 0 CGADLP C[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001308682965 933157525 /nfs/dbraw/zinc/15/75/25/933157525.db2.gz JDWVLHANAXXQBS-INIZCTEOSA-N 3 2 295.515 3.103 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC001308975485 933218528 /nfs/dbraw/zinc/21/85/28/933218528.db2.gz UUFPNUUNIAZIJB-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC001308975485 933218534 /nfs/dbraw/zinc/21/85/34/933218534.db2.gz UUFPNUUNIAZIJB-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC001319065660 933816807 /nfs/dbraw/zinc/81/68/07/933816807.db2.gz KGEDGMGELJHAPQ-JSGCOSHPSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001319065659 933817081 /nfs/dbraw/zinc/81/70/81/933817081.db2.gz KGEDGMGELJHAPQ-GXTWGEPZSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC12CC2 ZINC001328910718 935174788 /nfs/dbraw/zinc/17/47/88/935174788.db2.gz ZIHJLOMAMGAXJK-CYBMUJFWSA-N 2 2 296.374 3.095 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccn1C1CC1 ZINC001330528733 935292359 /nfs/dbraw/zinc/29/23/59/935292359.db2.gz NOWNKALYLHBPMQ-OAHLLOKOSA-N 2 2 275.440 3.129 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccn1C1CC1 ZINC001330528733 935292362 /nfs/dbraw/zinc/29/23/62/935292362.db2.gz NOWNKALYLHBPMQ-OAHLLOKOSA-N 2 2 275.440 3.129 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccn1C1CC1 ZINC001330528733 935292365 /nfs/dbraw/zinc/29/23/65/935292365.db2.gz NOWNKALYLHBPMQ-OAHLLOKOSA-N 2 2 275.440 3.129 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccn1C1CC1 ZINC001330528733 935292368 /nfs/dbraw/zinc/29/23/68/935292368.db2.gz NOWNKALYLHBPMQ-OAHLLOKOSA-N 2 2 275.440 3.129 20 0 CGADLP CSC(C)(C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001330626189 935305037 /nfs/dbraw/zinc/30/50/37/935305037.db2.gz ZCEXLSDBGAAUIJ-AWEZNQCLSA-N 2 2 295.496 3.206 20 0 CGADLP CSC(C)(C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001330626189 935305044 /nfs/dbraw/zinc/30/50/44/935305044.db2.gz ZCEXLSDBGAAUIJ-AWEZNQCLSA-N 2 2 295.496 3.206 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)c2c1 ZINC001330795243 935323262 /nfs/dbraw/zinc/32/32/62/935323262.db2.gz UXDFTWDQFWFZBK-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+]C[C@H]3CCCC[N@H+]3C3CC3)c2c1 ZINC001330795243 935323265 /nfs/dbraw/zinc/32/32/65/935323265.db2.gz UXDFTWDQFWFZBK-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001332314470 935458969 /nfs/dbraw/zinc/45/89/69/935458969.db2.gz YUPKNZHYLSRIMB-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001332314470 935458972 /nfs/dbraw/zinc/45/89/72/935458972.db2.gz YUPKNZHYLSRIMB-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1 ZINC001335431151 936145338 /nfs/dbraw/zinc/14/53/38/936145338.db2.gz BJMMJKCCYIHZOO-INIZCTEOSA-N 2 2 289.398 3.269 20 0 CGADLP c1[nH]cc(C2CCN(c3cc[nH+]cc3C3CC3)CC2)[nH+]1 ZINC001336546732 936198398 /nfs/dbraw/zinc/19/83/98/936198398.db2.gz XAILFWITLZTGSX-UHFFFAOYSA-N 2 2 268.364 3.066 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001474000183 937835193 /nfs/dbraw/zinc/83/51/93/937835193.db2.gz VNQBJJWLHOYJAX-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001474000183 937835195 /nfs/dbraw/zinc/83/51/95/937835195.db2.gz VNQBJJWLHOYJAX-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042302 938154550 /nfs/dbraw/zinc/15/45/50/938154550.db2.gz ZCHRCTMMOSTDBJ-FSPWUOQZSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549042302 938154551 /nfs/dbraw/zinc/15/45/51/938154551.db2.gz ZCHRCTMMOSTDBJ-FSPWUOQZSA-N 2 2 284.378 3.313 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001549176084 938155725 /nfs/dbraw/zinc/15/57/25/938155725.db2.gz TUQFGQGINZDBLG-CBBWQLFWSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001549176084 938155726 /nfs/dbraw/zinc/15/57/26/938155726.db2.gz TUQFGQGINZDBLG-CBBWQLFWSA-N 2 2 286.410 3.417 20 0 CGADLP CN(C)c1cc(-c2cccc(CC3(C[NH3+])CC3)c2)cc[nH+]1 ZINC001553317040 938198157 /nfs/dbraw/zinc/19/81/57/938198157.db2.gz BRFVFVMYMXNDCT-UHFFFAOYSA-N 2 2 281.403 3.096 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187135 938246361 /nfs/dbraw/zinc/24/63/61/938246361.db2.gz ZLOYNIIFAWPESH-XPKDYRNWSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187135 938246362 /nfs/dbraw/zinc/24/63/62/938246362.db2.gz ZLOYNIIFAWPESH-XPKDYRNWSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560187135 938246363 /nfs/dbraw/zinc/24/63/63/938246363.db2.gz ZLOYNIIFAWPESH-XPKDYRNWSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560187135 938246364 /nfs/dbraw/zinc/24/63/64/938246364.db2.gz ZLOYNIIFAWPESH-XPKDYRNWSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001560361356 938255291 /nfs/dbraw/zinc/25/52/91/938255291.db2.gz SZGYPAURLXFAMQ-KLHKWILBSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001560361356 938255293 /nfs/dbraw/zinc/25/52/93/938255293.db2.gz SZGYPAURLXFAMQ-KLHKWILBSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]CCCNc1cccc[nH+]1 ZINC001560365129 938255411 /nfs/dbraw/zinc/25/54/11/938255411.db2.gz MIKSOQOHTSAYDP-RMKNXTFCSA-N 2 2 297.402 3.195 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC001560837526 938278767 /nfs/dbraw/zinc/27/87/67/938278767.db2.gz UKEBSSIODOAKGF-KGLIPLIRSA-N 2 2 280.481 3.269 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001561043357 938291385 /nfs/dbraw/zinc/29/13/85/938291385.db2.gz WAPCKKZZIVHUDA-UHFFFAOYSA-N 2 2 296.405 3.219 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001561043357 938291386 /nfs/dbraw/zinc/29/13/86/938291386.db2.gz WAPCKKZZIVHUDA-UHFFFAOYSA-N 2 2 296.405 3.219 20 0 CGADLP CC1(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CCCC1 ZINC001561052259 938291805 /nfs/dbraw/zinc/29/18/05/938291805.db2.gz WJOGQNRJJCSHRL-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC1(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CCCC1 ZINC001561052259 938291807 /nfs/dbraw/zinc/29/18/07/938291807.db2.gz WJOGQNRJJCSHRL-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530188 960410524 /nfs/dbraw/zinc/41/05/24/960410524.db2.gz QMBVWJHCKQYNLG-KRWDZBQOSA-N 2 2 260.425 3.382 20 0 CGADLP CC(C)c1cccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)c1 ZINC001236530188 960410530 /nfs/dbraw/zinc/41/05/30/960410530.db2.gz QMBVWJHCKQYNLG-KRWDZBQOSA-N 2 2 260.425 3.382 20 0 CGADLP CC[C@H](OCC[N@@H+]1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC001577184370 962515159 /nfs/dbraw/zinc/51/51/59/962515159.db2.gz INIWYZGTEAHWSN-ROUUACIJSA-N 2 2 290.451 3.358 20 0 CGADLP CC[C@H](OCC[N@H+]1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC001577184370 962515165 /nfs/dbraw/zinc/51/51/65/962515165.db2.gz INIWYZGTEAHWSN-ROUUACIJSA-N 2 2 290.451 3.358 20 0 CGADLP C[N@H+](Cc1cc2nc(Cl)ccc2s1)CC(C)(C)[NH3+] ZINC001578485588 962592298 /nfs/dbraw/zinc/59/22/98/962592298.db2.gz LYFFWFAYSLSNBB-UHFFFAOYSA-N 2 2 283.828 3.119 20 0 CGADLP C[N@@H+](Cc1cc2nc(Cl)ccc2s1)CC(C)(C)[NH3+] ZINC001578485588 962592303 /nfs/dbraw/zinc/59/23/03/962592303.db2.gz LYFFWFAYSLSNBB-UHFFFAOYSA-N 2 2 283.828 3.119 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC001579571366 962637572 /nfs/dbraw/zinc/63/75/72/962637572.db2.gz CVRIOPPEFWUYRR-DUAOJKPGSA-N 2 2 270.420 3.108 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCCCCCC1 ZINC001580404766 962727573 /nfs/dbraw/zinc/72/75/73/962727573.db2.gz PMPBZMXNWWVUBZ-IAGOWNOFSA-N 2 2 258.409 3.314 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793775 300235593 /nfs/dbraw/zinc/23/55/93/300235593.db2.gz NYEXOAJRTLTSLD-BLLLJJGKSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793775 300235596 /nfs/dbraw/zinc/23/55/96/300235596.db2.gz NYEXOAJRTLTSLD-BLLLJJGKSA-N 2 2 262.441 3.028 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000075756278 260166098 /nfs/dbraw/zinc/16/60/98/260166098.db2.gz YNZQNNFTYWICFV-UHFFFAOYSA-N 2 2 257.381 3.398 20 0 CGADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337528539 214140768 /nfs/dbraw/zinc/14/07/68/214140768.db2.gz BUOHYHWIPQYEIT-MRXNPFEDSA-N 2 2 299.418 3.360 20 0 CGADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337528539 214140770 /nfs/dbraw/zinc/14/07/70/214140770.db2.gz BUOHYHWIPQYEIT-MRXNPFEDSA-N 2 2 299.418 3.360 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3cnccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000651650434 398262689 /nfs/dbraw/zinc/26/26/89/398262689.db2.gz NCEYDWBYYNFEBO-XJKSGUPXSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3cnccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000651650434 398262690 /nfs/dbraw/zinc/26/26/90/398262690.db2.gz NCEYDWBYYNFEBO-XJKSGUPXSA-N 2 2 296.374 3.107 20 0 CGADLP CC(C)SCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000290228930 197639384 /nfs/dbraw/zinc/63/93/84/197639384.db2.gz YDGIYJAPWJSOJP-UHFFFAOYSA-N 2 2 275.421 3.104 20 0 CGADLP CCCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000621712128 349560125 /nfs/dbraw/zinc/56/01/25/349560125.db2.gz TXCULPBRAGEDSG-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP C[C@H]1CCCCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750523 398281944 /nfs/dbraw/zinc/28/19/44/398281944.db2.gz MCRMUKOFGMFIAY-GOEBONIOSA-N 2 2 271.408 3.435 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651910885 398305480 /nfs/dbraw/zinc/30/54/80/398305480.db2.gz PSBBFKACWYPVSM-IHETXDGRSA-N 2 2 270.420 3.066 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651910885 398305482 /nfs/dbraw/zinc/30/54/82/398305482.db2.gz PSBBFKACWYPVSM-IHETXDGRSA-N 2 2 270.420 3.066 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423457086 529453784 /nfs/dbraw/zinc/45/37/84/529453784.db2.gz FIMOFFOJZIUDDR-KGLIPLIRSA-N 2 2 285.391 3.262 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000423353378 290028063 /nfs/dbraw/zinc/02/80/63/290028063.db2.gz BMXYXCWXOAPOEI-SGMGOOAPSA-N 2 2 278.465 3.276 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423485274 529567887 /nfs/dbraw/zinc/56/78/87/529567887.db2.gz ZATBOYVOCFMNAD-DTWKUNHWSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccccc1Br ZINC000423484253 529568886 /nfs/dbraw/zinc/56/88/86/529568886.db2.gz YMLBWHXPXUZXSZ-ZWNOBZJWSA-N 2 2 285.229 3.227 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC1(C)C ZINC000414069033 529607722 /nfs/dbraw/zinc/60/77/22/529607722.db2.gz RFLKPTOLCSHJCR-CABCVRRESA-N 2 2 271.408 3.291 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@@H]1C ZINC000414062039 529608457 /nfs/dbraw/zinc/60/84/57/529608457.db2.gz KVWYDXJXZHXDRK-JQHSSLGASA-N 2 2 297.446 3.498 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](COC)C1CCCC1 ZINC000423496477 529611359 /nfs/dbraw/zinc/61/13/59/529611359.db2.gz DYYXNPSJAMOAOZ-ZWKOTPCHSA-N 2 2 290.451 3.044 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccncc1F ZINC000423517442 529611528 /nfs/dbraw/zinc/61/15/28/529611528.db2.gz YTYGAIPDBNPDOE-PXAZEXFGSA-N 2 2 287.382 3.134 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cc(Cl)ccc1OC ZINC000423283663 529611744 /nfs/dbraw/zinc/61/17/44/529611744.db2.gz XEGYTQYQRBBDEG-KGLIPLIRSA-N 2 2 284.831 3.373 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000414079932 529631960 /nfs/dbraw/zinc/63/19/60/529631960.db2.gz TZZKROHZURARPY-IMJJTQAJSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000423544337 529656178 /nfs/dbraw/zinc/65/61/78/529656178.db2.gz CNVAPWVQFHDIIA-DOMZBBRYSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000414109696 529662670 /nfs/dbraw/zinc/66/26/70/529662670.db2.gz LCQRZMHPSYZUJH-UXOAXIEHSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000414109696 529662673 /nfs/dbraw/zinc/66/26/73/529662673.db2.gz LCQRZMHPSYZUJH-UXOAXIEHSA-N 2 2 250.430 3.026 20 0 CGADLP CSCC1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000295060993 199324615 /nfs/dbraw/zinc/32/46/15/199324615.db2.gz OFSOFFJIYDULJE-UHFFFAOYSA-N 2 2 289.448 3.346 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623557091 349833124 /nfs/dbraw/zinc/83/31/24/349833124.db2.gz KAGGCVDWKNPWFV-AWEZNQCLSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623557091 349833129 /nfs/dbraw/zinc/83/31/29/349833129.db2.gz KAGGCVDWKNPWFV-AWEZNQCLSA-N 2 2 288.435 3.147 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1Cl ZINC000623562060 349835730 /nfs/dbraw/zinc/83/57/30/349835730.db2.gz GKZNVASVNRMWIN-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1Cl ZINC000623562060 349835732 /nfs/dbraw/zinc/83/57/32/349835732.db2.gz GKZNVASVNRMWIN-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC34CCCCC4)n2c1 ZINC000623567689 349836630 /nfs/dbraw/zinc/83/66/30/349836630.db2.gz ARPPOXBBRIAQNQ-HNNXBMFYSA-N 2 2 269.392 3.455 20 0 CGADLP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)c12 ZINC000623614834 349849753 /nfs/dbraw/zinc/84/97/53/349849753.db2.gz CAAHQEXBFXGOML-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)c12 ZINC000623614834 349849755 /nfs/dbraw/zinc/84/97/55/349849755.db2.gz CAAHQEXBFXGOML-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(F)cnc1Cl ZINC000295077405 199333836 /nfs/dbraw/zinc/33/38/36/199333836.db2.gz HXRWQKTWUNTQRJ-UHFFFAOYSA-N 2 2 293.773 3.300 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2C[C@H]2C1 ZINC000623740536 349874662 /nfs/dbraw/zinc/87/46/62/349874662.db2.gz ZWGWALXNRLWLDF-VQFNDLOPSA-N 2 2 281.403 3.398 20 0 CGADLP CC1(C)CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000273177216 192066423 /nfs/dbraw/zinc/06/64/23/192066423.db2.gz NPYXAMCOHWCQIX-AWEZNQCLSA-N 2 2 261.413 3.442 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCCc3scnc32)CC(C)(C)[NH2+]1 ZINC000623853397 349896302 /nfs/dbraw/zinc/89/63/02/349896302.db2.gz XHWIRANOQPDOBG-LBPRGKRZSA-N 2 2 293.480 3.419 20 0 CGADLP Cc1csc([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000623895513 349907746 /nfs/dbraw/zinc/90/77/46/349907746.db2.gz SQOMXLHWSGNCBE-CHWSQXEVSA-N 2 2 283.485 3.469 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000420373267 529971535 /nfs/dbraw/zinc/97/15/35/529971535.db2.gz MKECOIIWSWCTOX-MRVPVSSYSA-N 2 2 279.186 3.393 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423225140 529978491 /nfs/dbraw/zinc/97/84/91/529978491.db2.gz LIXQJUHWCCSCAJ-NSHDSACASA-N 2 2 278.396 3.424 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000423226281 529979088 /nfs/dbraw/zinc/97/90/88/529979088.db2.gz QCSNHDWJPDBIFE-ZDUSSCGKSA-N 2 2 275.223 3.500 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000351595711 219139677 /nfs/dbraw/zinc/13/96/77/219139677.db2.gz GDKXKITYNMNWGJ-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000351595711 219139680 /nfs/dbraw/zinc/13/96/80/219139680.db2.gz GDKXKITYNMNWGJ-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423386231 530041116 /nfs/dbraw/zinc/04/11/16/530041116.db2.gz JDRPQZFUMXBPKV-XHDPSFHLSA-N 2 2 266.816 3.379 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528868 530051490 /nfs/dbraw/zinc/05/14/90/530051490.db2.gz VJNWFZIHYXQKFU-CVEARBPZSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528868 530051491 /nfs/dbraw/zinc/05/14/91/530051491.db2.gz VJNWFZIHYXQKFU-CVEARBPZSA-N 2 2 294.483 3.046 20 0 CGADLP c1ccc(COc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000038355282 344955761 /nfs/dbraw/zinc/95/57/61/344955761.db2.gz YXHGFKNOXLDBQD-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP c1ccc(COc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000038355282 344955764 /nfs/dbraw/zinc/95/57/64/344955764.db2.gz YXHGFKNOXLDBQD-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000040623842 344965140 /nfs/dbraw/zinc/96/51/40/344965140.db2.gz GUDLDFLBVMSSPJ-AWEZNQCLSA-N 2 2 276.428 3.051 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000040623842 344965142 /nfs/dbraw/zinc/96/51/42/344965142.db2.gz GUDLDFLBVMSSPJ-AWEZNQCLSA-N 2 2 276.428 3.051 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[NH+]4CCC3CC4)ccc2c1 ZINC000034520392 344940281 /nfs/dbraw/zinc/94/02/81/344940281.db2.gz FFOALWFFBNJVSM-UHFFFAOYSA-N 2 2 266.388 3.120 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[NH+]4CCC3CC4)ccc2c1 ZINC000034520392 344940283 /nfs/dbraw/zinc/94/02/83/344940283.db2.gz FFOALWFFBNJVSM-UHFFFAOYSA-N 2 2 266.388 3.120 20 0 CGADLP CC(C)(C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000066971416 345310409 /nfs/dbraw/zinc/31/04/09/345310409.db2.gz NDGOKLWVHDMPRJ-UHFFFAOYSA-N 2 2 257.381 3.067 20 0 CGADLP C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070975809 345400071 /nfs/dbraw/zinc/40/00/71/345400071.db2.gz XXFTUKMFISHVTC-OAHLLOKOSA-N 2 2 292.386 3.251 20 0 CGADLP C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070975809 345400074 /nfs/dbraw/zinc/40/00/74/345400074.db2.gz XXFTUKMFISHVTC-OAHLLOKOSA-N 2 2 292.386 3.251 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586977 232219582 /nfs/dbraw/zinc/21/95/82/232219582.db2.gz JOPYNBCYNVCIBI-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586977 232219587 /nfs/dbraw/zinc/21/95/87/232219587.db2.gz JOPYNBCYNVCIBI-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295118055 199354560 /nfs/dbraw/zinc/35/45/60/199354560.db2.gz WGWUYEMGNSHQCY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295118055 199354562 /nfs/dbraw/zinc/35/45/62/199354562.db2.gz WGWUYEMGNSHQCY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2ccncc12)[N@@H+]1CCC[C@H](C)C1 ZINC000085656992 345746981 /nfs/dbraw/zinc/74/69/81/345746981.db2.gz LUCDRDGMTQYUTM-KBPBESRZSA-N 2 2 284.407 3.162 20 0 CGADLP C[C@@H](CNc1cc[nH+]c2ccncc12)[N@H+]1CCC[C@H](C)C1 ZINC000085656992 345746984 /nfs/dbraw/zinc/74/69/84/345746984.db2.gz LUCDRDGMTQYUTM-KBPBESRZSA-N 2 2 284.407 3.162 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccnc1 ZINC000091282965 345809688 /nfs/dbraw/zinc/80/96/88/345809688.db2.gz ZDVOPNNWPMNUKR-GOSISDBHSA-N 2 2 294.402 3.259 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091405588 345812797 /nfs/dbraw/zinc/81/27/97/345812797.db2.gz SGWNMCKWXIBHAP-AWEZNQCLSA-N 2 2 294.402 3.170 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090846960 345796541 /nfs/dbraw/zinc/79/65/41/345796541.db2.gz QGGYGSAXKRBNQV-AWEZNQCLSA-N 2 2 270.376 3.292 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623991282 349938745 /nfs/dbraw/zinc/93/87/45/349938745.db2.gz CLKDBKZAMZJVSA-YESZJQIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739434 345855348 /nfs/dbraw/zinc/85/53/48/345855348.db2.gz FFYKMNNAEKSIME-KFWWJZLASA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623991280 349938928 /nfs/dbraw/zinc/93/89/28/349938928.db2.gz CLKDBKZAMZJVSA-IXDOHACOSA-N 2 2 282.472 3.044 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071401 345830615 /nfs/dbraw/zinc/83/06/15/345830615.db2.gz AUSJFVZBCRNEHI-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071401 345830617 /nfs/dbraw/zinc/83/06/17/345830617.db2.gz AUSJFVZBCRNEHI-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)o2)CC1 ZINC000092165274 345831479 /nfs/dbraw/zinc/83/14/79/345831479.db2.gz OLNAIPQGCLVABN-UHFFFAOYSA-N 2 2 270.804 3.239 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)o2)CC1 ZINC000092165274 345831482 /nfs/dbraw/zinc/83/14/82/345831482.db2.gz OLNAIPQGCLVABN-UHFFFAOYSA-N 2 2 270.804 3.239 20 0 CGADLP CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865667 345891089 /nfs/dbraw/zinc/89/10/89/345891089.db2.gz KGJXMBVESFCFTN-SFHVURJKSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865667 345891092 /nfs/dbraw/zinc/89/10/92/345891092.db2.gz KGJXMBVESFCFTN-SFHVURJKSA-N 2 2 298.386 3.134 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000108370955 345937395 /nfs/dbraw/zinc/93/73/95/345937395.db2.gz FWSAZAGCFXNRGZ-UHFFFAOYSA-N 2 2 296.842 3.181 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258705 232315490 /nfs/dbraw/zinc/31/54/90/232315490.db2.gz YPWLAUVVHGTCDO-UONOGXRCSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258705 232315491 /nfs/dbraw/zinc/31/54/91/232315491.db2.gz YPWLAUVVHGTCDO-UONOGXRCSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258705 232315493 /nfs/dbraw/zinc/31/54/93/232315493.db2.gz YPWLAUVVHGTCDO-UONOGXRCSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258705 232315494 /nfs/dbraw/zinc/31/54/94/232315494.db2.gz YPWLAUVVHGTCDO-UONOGXRCSA-N 2 2 293.455 3.307 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC000166831744 346187589 /nfs/dbraw/zinc/18/75/89/346187589.db2.gz GGAVQWQMJQMLHX-CQSZACIVSA-N 2 2 255.365 3.097 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000188118336 232446492 /nfs/dbraw/zinc/44/64/92/232446492.db2.gz BVQYALVIONVVON-CQSZACIVSA-N 2 2 287.382 3.244 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000624101438 349970560 /nfs/dbraw/zinc/97/05/60/349970560.db2.gz GEEVCSXYBBCHHJ-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000624101438 349970562 /nfs/dbraw/zinc/97/05/62/349970562.db2.gz GEEVCSXYBBCHHJ-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C(C)C)c2)n1C ZINC000584666465 346706429 /nfs/dbraw/zinc/70/64/29/346706429.db2.gz WMZODUVLEXTURI-UHFFFAOYSA-N 2 2 257.381 3.142 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000595019632 347259657 /nfs/dbraw/zinc/25/96/57/347259657.db2.gz SGGMJXOBZNHOHZ-CABCVRRESA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000595019632 347259659 /nfs/dbraw/zinc/25/96/59/347259659.db2.gz SGGMJXOBZNHOHZ-CABCVRRESA-N 2 2 298.471 3.188 20 0 CGADLP C[C@@H](CSCCF)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595082301 347279337 /nfs/dbraw/zinc/27/93/37/347279337.db2.gz YFSOZRUVLPLMGV-UONOGXRCSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@@H](CSCCF)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595082301 347279341 /nfs/dbraw/zinc/27/93/41/347279341.db2.gz YFSOZRUVLPLMGV-UONOGXRCSA-N 2 2 288.476 3.074 20 0 CGADLP CSCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551780 347317971 /nfs/dbraw/zinc/31/79/71/347317971.db2.gz KWLMTRSMTZARRP-UHFFFAOYSA-N 2 2 289.448 3.180 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000339345381 215108342 /nfs/dbraw/zinc/10/83/42/215108342.db2.gz VCAPAGBWZMFFIM-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000339345381 215108344 /nfs/dbraw/zinc/10/83/44/215108344.db2.gz VCAPAGBWZMFFIM-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000607731364 348259064 /nfs/dbraw/zinc/25/90/64/348259064.db2.gz QUKYGRZOGLXRSM-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000607731364 348259065 /nfs/dbraw/zinc/25/90/65/348259065.db2.gz QUKYGRZOGLXRSM-QGZVFWFLSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC000339488336 215204321 /nfs/dbraw/zinc/20/43/21/215204321.db2.gz ZRMWLTVDSSMXBG-LZWOXQAQSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC000339488336 215204323 /nfs/dbraw/zinc/20/43/23/215204323.db2.gz ZRMWLTVDSSMXBG-LZWOXQAQSA-N 2 2 264.388 3.160 20 0 CGADLP CSC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193002 348427683 /nfs/dbraw/zinc/42/76/83/348427683.db2.gz AMWYQBZKUKRQBA-GOEBONIOSA-N 2 2 292.492 3.381 20 0 CGADLP CSC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193002 348427685 /nfs/dbraw/zinc/42/76/85/348427685.db2.gz AMWYQBZKUKRQBA-GOEBONIOSA-N 2 2 292.492 3.381 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCO[C@@H]2C)c(C)c1 ZINC000358347733 233112696 /nfs/dbraw/zinc/11/26/96/233112696.db2.gz FWXHPUCHCSVUKS-NXHRZFHOSA-N 2 2 299.418 3.008 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc2ccncc2s1 ZINC000624271849 350015824 /nfs/dbraw/zinc/01/58/24/350015824.db2.gz HVPYMVHXLTXSNJ-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc2ccncc2s1 ZINC000624271849 350015828 /nfs/dbraw/zinc/01/58/28/350015828.db2.gz HVPYMVHXLTXSNJ-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000271217431 191006875 /nfs/dbraw/zinc/00/68/75/191006875.db2.gz XKRQRBHUCWLSCM-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000271217431 191006877 /nfs/dbraw/zinc/00/68/77/191006877.db2.gz XKRQRBHUCWLSCM-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000271217431 191006879 /nfs/dbraw/zinc/00/68/79/191006879.db2.gz XKRQRBHUCWLSCM-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000271217431 191006880 /nfs/dbraw/zinc/00/68/80/191006880.db2.gz XKRQRBHUCWLSCM-ZFWWWQNUSA-N 2 2 264.388 3.049 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881430 571891165 /nfs/dbraw/zinc/89/11/65/571891165.db2.gz BEMOJLMXYFAVBO-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881430 571891166 /nfs/dbraw/zinc/89/11/66/571891166.db2.gz BEMOJLMXYFAVBO-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881430 571891168 /nfs/dbraw/zinc/89/11/68/571891168.db2.gz BEMOJLMXYFAVBO-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881430 571891170 /nfs/dbraw/zinc/89/11/70/571891170.db2.gz BEMOJLMXYFAVBO-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000629525831 350702476 /nfs/dbraw/zinc/70/24/76/350702476.db2.gz DACCMMPSKZSGTB-GVDBMIGSSA-N 2 2 288.435 3.247 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000629526410 350702527 /nfs/dbraw/zinc/70/25/27/350702527.db2.gz TUHJDGDNPOIBEF-GVDBMIGSSA-N 2 2 258.409 3.258 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cc(C)ccc1OC ZINC000629527412 350703050 /nfs/dbraw/zinc/70/30/50/350703050.db2.gz VEWQLALQAULCEC-OWCLPIDISA-N 2 2 276.424 3.185 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000629534502 350704595 /nfs/dbraw/zinc/70/45/95/350704595.db2.gz ALAGLIYYODHVRG-GRYCIOLGSA-N 2 2 252.427 3.102 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629535889 350705104 /nfs/dbraw/zinc/70/51/04/350705104.db2.gz FIPCSQAFLHENDL-OFQRWUPVSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1nccc2ccccc21 ZINC000629536520 350705675 /nfs/dbraw/zinc/70/56/75/350705675.db2.gz FNAMWFFXPIOAEU-VNHYZAJKSA-N 2 2 269.392 3.026 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1F ZINC000629536975 350706036 /nfs/dbraw/zinc/70/60/36/350706036.db2.gz KAZQNUCJOSWZHT-HCKVZZMMSA-N 2 2 268.351 3.146 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629543353 350708795 /nfs/dbraw/zinc/70/87/95/350708795.db2.gz YYVSBLPSWIQLLW-XKQJLSEDSA-N 2 2 258.409 3.176 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000629545084 350709516 /nfs/dbraw/zinc/70/95/16/350709516.db2.gz BBUAYFPDHZKTOF-LYRGGWFBSA-N 2 2 278.827 3.448 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc2c1 ZINC000629545791 350709573 /nfs/dbraw/zinc/70/95/73/350709573.db2.gz RDESCRDAHYTXDR-SGMGOOAPSA-N 2 2 258.365 3.142 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000629552990 350712187 /nfs/dbraw/zinc/71/21/87/350712187.db2.gz CSVCNBSEPLKLQR-RHSMWYFYSA-N 2 2 254.377 3.242 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2c1 ZINC000629509873 350699100 /nfs/dbraw/zinc/69/91/00/350699100.db2.gz PSRJUBJPBRVDQW-RDTXWAMCSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])cc2c1 ZINC000629509873 350699103 /nfs/dbraw/zinc/69/91/03/350699103.db2.gz PSRJUBJPBRVDQW-RDTXWAMCSA-N 2 2 283.419 3.245 20 0 CGADLP C[NH2+]c1ccc(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000629652469 350730683 /nfs/dbraw/zinc/73/06/83/350730683.db2.gz AUDBDXRFMWTFPG-BBRMVZONSA-N 2 2 261.413 3.451 20 0 CGADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000629653812 350731418 /nfs/dbraw/zinc/73/14/18/350731418.db2.gz GORNCCXMKGLIPE-HRCADAONSA-N 2 2 259.397 3.061 20 0 CGADLP C[NH+](C)Cc1cc(-c2c[nH+]c3n2CCCC3)ccc1F ZINC000630051601 350801628 /nfs/dbraw/zinc/80/16/28/350801628.db2.gz BLOKBYWFXZETQE-UHFFFAOYSA-N 2 2 273.355 3.087 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000631141739 350967381 /nfs/dbraw/zinc/96/73/81/350967381.db2.gz WNLRZTGGMIAINA-CHYADLBTSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000631141739 350967385 /nfs/dbraw/zinc/96/73/85/350967385.db2.gz WNLRZTGGMIAINA-CHYADLBTSA-N 2 2 295.430 3.495 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@]34C[C@@H]3CCCC4)cc2)c[nH+]1 ZINC000631226898 350998856 /nfs/dbraw/zinc/99/88/56/350998856.db2.gz ONKYGYIEKZUJTN-RDJZCZTQSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260339 351010277 /nfs/dbraw/zinc/01/02/77/351010277.db2.gz NCEXTEFXDMUORH-NGFQHRJXSA-N 2 2 298.352 3.047 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260339 351010280 /nfs/dbraw/zinc/01/02/80/351010280.db2.gz NCEXTEFXDMUORH-NGFQHRJXSA-N 2 2 298.352 3.047 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000631643072 351102808 /nfs/dbraw/zinc/10/28/08/351102808.db2.gz BZDYUNBCEYNJNO-KURKYZTESA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000631643072 351102811 /nfs/dbraw/zinc/10/28/11/351102811.db2.gz BZDYUNBCEYNJNO-KURKYZTESA-N 2 2 285.435 3.066 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000631571473 351070917 /nfs/dbraw/zinc/07/09/17/351070917.db2.gz FYQZOIAHHWNGKX-GDBMZVCRSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000631571473 351070921 /nfs/dbraw/zinc/07/09/21/351070921.db2.gz FYQZOIAHHWNGKX-GDBMZVCRSA-N 2 2 285.435 3.173 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000631834221 351149438 /nfs/dbraw/zinc/14/94/38/351149438.db2.gz SFDKVZQVAQUKMW-MRXNPFEDSA-N 2 2 287.382 3.077 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000631834221 351149443 /nfs/dbraw/zinc/14/94/43/351149443.db2.gz SFDKVZQVAQUKMW-MRXNPFEDSA-N 2 2 287.382 3.077 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887278 351152018 /nfs/dbraw/zinc/15/20/18/351152018.db2.gz QCENPBSKWVUVEY-IUODEOHRSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887278 351152022 /nfs/dbraw/zinc/15/20/22/351152022.db2.gz QCENPBSKWVUVEY-IUODEOHRSA-N 2 2 298.352 3.279 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000291588741 198044206 /nfs/dbraw/zinc/04/42/06/198044206.db2.gz POOQRBNWDHDIJG-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000291588741 198044208 /nfs/dbraw/zinc/04/42/08/198044208.db2.gz POOQRBNWDHDIJG-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000123185821 187076334 /nfs/dbraw/zinc/07/63/34/187076334.db2.gz GPJYSPZBKDKBCZ-UNXYVOJBSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000123185821 187076335 /nfs/dbraw/zinc/07/63/35/187076335.db2.gz GPJYSPZBKDKBCZ-UNXYVOJBSA-N 2 2 278.362 3.180 20 0 CGADLP Clc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000123356679 187086641 /nfs/dbraw/zinc/08/66/41/187086641.db2.gz GLQYYFVFYPPUBM-UHFFFAOYSA-N 2 2 278.827 3.304 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000365833262 234132687 /nfs/dbraw/zinc/13/26/87/234132687.db2.gz QHYTVCDOZIVRHD-ICTCPBKTSA-N 2 2 299.393 3.452 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000365833262 234132690 /nfs/dbraw/zinc/13/26/90/234132690.db2.gz QHYTVCDOZIVRHD-ICTCPBKTSA-N 2 2 299.393 3.452 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCCF)[nH+]1 ZINC000367553679 234225553 /nfs/dbraw/zinc/22/55/53/234225553.db2.gz ORFKKYMLLHYAJL-AWEZNQCLSA-N 2 2 265.376 3.016 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCCF)[nH+]1 ZINC000367553679 234225555 /nfs/dbraw/zinc/22/55/55/234225555.db2.gz ORFKKYMLLHYAJL-AWEZNQCLSA-N 2 2 265.376 3.016 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152470988 188021703 /nfs/dbraw/zinc/02/17/03/188021703.db2.gz OOTFPNFVYLDOLB-OCCSQVGLSA-N 2 2 298.377 3.169 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000152470988 188021705 /nfs/dbraw/zinc/02/17/05/188021705.db2.gz OOTFPNFVYLDOLB-OCCSQVGLSA-N 2 2 298.377 3.169 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000152527928 188026716 /nfs/dbraw/zinc/02/67/16/188026716.db2.gz BNOPWKDRSJMCSP-ZBFHGGJFSA-N 2 2 269.392 3.420 20 0 CGADLP C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153098694 188063887 /nfs/dbraw/zinc/06/38/87/188063887.db2.gz YYNFYDCPYUESPJ-MRXNPFEDSA-N 2 2 298.434 3.009 20 0 CGADLP C[C@H]([NH2+]CCN1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153098594 188064555 /nfs/dbraw/zinc/06/45/55/188064555.db2.gz YYNFYDCPYUESPJ-INIZCTEOSA-N 2 2 298.434 3.009 20 0 CGADLP C[C@H]1CC[N@H+](CCSC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000369206935 234361204 /nfs/dbraw/zinc/36/12/04/234361204.db2.gz OKAPYWWLSOPJHL-UONOGXRCSA-N 2 2 281.469 3.298 20 0 CGADLP C[C@H]1CC[N@@H+](CCSC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000369206935 234361206 /nfs/dbraw/zinc/36/12/06/234361206.db2.gz OKAPYWWLSOPJHL-UONOGXRCSA-N 2 2 281.469 3.298 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000413539723 235288430 /nfs/dbraw/zinc/28/84/30/235288430.db2.gz ZNBNVSOVWXIIQV-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000413539723 235288433 /nfs/dbraw/zinc/28/84/33/235288433.db2.gz ZNBNVSOVWXIIQV-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122233 235340946 /nfs/dbraw/zinc/34/09/46/235340946.db2.gz IFKMBUAQELOWIA-SJKOYZFVSA-N 2 2 287.382 3.015 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417360603 235627309 /nfs/dbraw/zinc/62/73/09/235627309.db2.gz XNMCQLPXDMSFSN-WBMJQRKESA-N 2 2 276.399 3.133 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](COC)C1CC1)c1ccccc1 ZINC000128109532 138391823 /nfs/dbraw/zinc/39/18/23/138391823.db2.gz PNNZYABYWZYXFZ-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1F ZINC000422789844 235921012 /nfs/dbraw/zinc/92/10/12/235921012.db2.gz WZNGMYRGKOSUPH-SJCJKPOMSA-N 2 2 290.357 3.013 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423232632 236004367 /nfs/dbraw/zinc/00/43/67/236004367.db2.gz CFIYXGSOMVUIQT-MSOLQXFVSA-N 2 2 284.378 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423245560 236007625 /nfs/dbraw/zinc/00/76/25/236007625.db2.gz YQDUKJCILZZACU-DGCLKSJQSA-N 2 2 260.406 3.304 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000423251087 236008716 /nfs/dbraw/zinc/00/87/16/236008716.db2.gz VYXQDCQHUYYCRN-IAGOWNOFSA-N 2 2 270.351 3.103 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CCC2)o1 ZINC000423277059 236019473 /nfs/dbraw/zinc/01/94/73/236019473.db2.gz PAMUGYLAJDHCIH-HIFRSBDPSA-N 2 2 250.386 3.002 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423278667 236019957 /nfs/dbraw/zinc/01/99/57/236019957.db2.gz QCEAOBRIYYFWGU-FZMZJTMJSA-N 2 2 287.432 3.198 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc2cc1C ZINC000423279604 236020235 /nfs/dbraw/zinc/02/02/35/236020235.db2.gz RPXBQGKFZMWZSH-WFASDCNBSA-N 2 2 272.392 3.438 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423322580 236038222 /nfs/dbraw/zinc/03/82/22/236038222.db2.gz IWGWAMPHYHAUQK-PXAZEXFGSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423358683 236049197 /nfs/dbraw/zinc/04/91/97/236049197.db2.gz JRZVITKBOSUTSR-SUNKGSAMSA-N 2 2 286.341 3.354 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]1 ZINC000423369879 236053325 /nfs/dbraw/zinc/05/33/25/236053325.db2.gz CJAJXDRRCRFZFK-XWIAVFTESA-N 2 2 299.393 3.040 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423454655 236075131 /nfs/dbraw/zinc/07/51/31/236075131.db2.gz ZIMXZSJYFSAHTN-ACZMJKKPSA-N 2 2 267.225 3.441 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000424125938 236121531 /nfs/dbraw/zinc/12/15/31/236121531.db2.gz AXXQBFCGAIZJKF-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(NC(=O)[C@H](C)[C@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423915813 236111599 /nfs/dbraw/zinc/11/15/99/236111599.db2.gz WNEZJISGXMWGHL-OLZOCXBDSA-N 2 2 299.374 3.104 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424381091 236159297 /nfs/dbraw/zinc/15/92/97/236159297.db2.gz YFESTQPYUCUSCA-UDTPNQRGSA-N 2 2 298.405 3.172 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c(Cl)c1 ZINC000424258403 236137109 /nfs/dbraw/zinc/13/71/09/236137109.db2.gz LXPUOXMHDNIQLL-CYBMUJFWSA-N 2 2 296.842 3.485 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327520 236150234 /nfs/dbraw/zinc/15/02/34/236150234.db2.gz MSOIKWCOODROBO-ZWQIFLOQSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327520 236150237 /nfs/dbraw/zinc/15/02/37/236150237.db2.gz MSOIKWCOODROBO-ZWQIFLOQSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281643 237070264 /nfs/dbraw/zinc/07/02/64/237070264.db2.gz HJQREJFBGZBOMR-IIVZCXTMSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281643 237070267 /nfs/dbraw/zinc/07/02/67/237070267.db2.gz HJQREJFBGZBOMR-IIVZCXTMSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000296942670 200041335 /nfs/dbraw/zinc/04/13/35/200041335.db2.gz QMMGHUSVGCCRQE-BBRMVZONSA-N 2 2 284.407 3.371 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000297358890 200161644 /nfs/dbraw/zinc/16/16/44/200161644.db2.gz FPLYSCWFJRGAQX-GUDVDZBRSA-N 2 2 295.430 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000297358890 200161645 /nfs/dbraw/zinc/16/16/45/200161645.db2.gz FPLYSCWFJRGAQX-GUDVDZBRSA-N 2 2 295.430 3.231 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1cccc(F)c1 ZINC000297310287 200143447 /nfs/dbraw/zinc/14/34/47/200143447.db2.gz BUHLLTVIEKGXGC-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1cccc(F)c1 ZINC000297310287 200143448 /nfs/dbraw/zinc/14/34/48/200143448.db2.gz BUHLLTVIEKGXGC-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000297903971 200301747 /nfs/dbraw/zinc/30/17/47/200301747.db2.gz RTIRRKUZHCZEOY-INIZCTEOSA-N 2 2 289.810 3.453 20 0 CGADLP CC(C)[C@H](c1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297918324 200304426 /nfs/dbraw/zinc/30/44/26/200304426.db2.gz SVWAGSUQYRZDSI-QGZVFWFLSA-N 2 2 271.408 3.292 20 0 CGADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297918324 200304428 /nfs/dbraw/zinc/30/44/28/200304428.db2.gz SVWAGSUQYRZDSI-QGZVFWFLSA-N 2 2 271.408 3.292 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174950 189034023 /nfs/dbraw/zinc/03/40/23/189034023.db2.gz KLORQVYAXOHJMV-SWLSCSKDSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174950 189034024 /nfs/dbraw/zinc/03/40/24/189034024.db2.gz KLORQVYAXOHJMV-SWLSCSKDSA-N 2 2 273.380 3.295 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000179705215 189215112 /nfs/dbraw/zinc/21/51/12/189215112.db2.gz YKBZYXDELBQXRU-MRXNPFEDSA-N 2 2 277.371 3.324 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000179705215 189215113 /nfs/dbraw/zinc/21/51/13/189215113.db2.gz YKBZYXDELBQXRU-MRXNPFEDSA-N 2 2 277.371 3.324 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000180013169 189232109 /nfs/dbraw/zinc/23/21/09/189232109.db2.gz SECTUISIUFDVJU-MRXNPFEDSA-N 2 2 271.408 3.229 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000180757124 189273692 /nfs/dbraw/zinc/27/36/92/189273692.db2.gz NBOIDZIDAZQYLC-UHFFFAOYSA-N 2 2 274.364 3.113 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092028 189288405 /nfs/dbraw/zinc/28/84/05/189288405.db2.gz YSWGIPHFNJSWTL-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092028 189288406 /nfs/dbraw/zinc/28/84/06/189288406.db2.gz YSWGIPHFNJSWTL-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181739496 189305364 /nfs/dbraw/zinc/30/53/64/189305364.db2.gz SESMQXJSMFLUFP-GDBMZVCRSA-N 2 2 284.407 3.326 20 0 CGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610717 201095644 /nfs/dbraw/zinc/09/56/44/201095644.db2.gz CURBJKDKNVIIEI-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000301610717 201095647 /nfs/dbraw/zinc/09/56/47/201095647.db2.gz CURBJKDKNVIIEI-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182836717 189336995 /nfs/dbraw/zinc/33/69/95/189336995.db2.gz HEYVLINWJGADLR-NVXWUHKLSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182836717 189336996 /nfs/dbraw/zinc/33/69/96/189336996.db2.gz HEYVLINWJGADLR-NVXWUHKLSA-N 2 2 269.392 3.151 20 0 CGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000301652433 201116038 /nfs/dbraw/zinc/11/60/38/201116038.db2.gz KFRGOTRIDXMERG-HIFRSBDPSA-N 2 2 290.455 3.075 20 0 CGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000301652433 201116043 /nfs/dbraw/zinc/11/60/43/201116043.db2.gz KFRGOTRIDXMERG-HIFRSBDPSA-N 2 2 290.455 3.075 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(OC)c1 ZINC000183165966 189348391 /nfs/dbraw/zinc/34/83/91/189348391.db2.gz VTKNEACNLPMKAS-OAHLLOKOSA-N 2 2 287.407 3.365 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1cccc(OC)c1 ZINC000183165966 189348392 /nfs/dbraw/zinc/34/83/92/189348392.db2.gz VTKNEACNLPMKAS-OAHLLOKOSA-N 2 2 287.407 3.365 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000183161637 189348671 /nfs/dbraw/zinc/34/86/71/189348671.db2.gz CCWQCUJGRCYWSZ-AWEZNQCLSA-N 2 2 275.421 3.344 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183161637 189348672 /nfs/dbraw/zinc/34/86/72/189348672.db2.gz CCWQCUJGRCYWSZ-AWEZNQCLSA-N 2 2 275.421 3.344 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C/C=C\c1ccncc1 ZINC000342420289 216346865 /nfs/dbraw/zinc/34/68/65/216346865.db2.gz KJRFXENPAPDVCD-SKHCZCESSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C/C=C\c1ccncc1 ZINC000342420289 216346867 /nfs/dbraw/zinc/34/68/67/216346867.db2.gz KJRFXENPAPDVCD-SKHCZCESSA-N 2 2 295.430 3.205 20 0 CGADLP CCCCOCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000119658198 370696138 /nfs/dbraw/zinc/69/61/38/370696138.db2.gz GAUIPVSQGYEANP-UHFFFAOYSA-N 2 2 287.407 3.169 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301900024 201253191 /nfs/dbraw/zinc/25/31/91/201253191.db2.gz YRGHXOIUDOSAPV-OLZOCXBDSA-N 2 2 272.396 3.095 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000301900024 201253195 /nfs/dbraw/zinc/25/31/95/201253195.db2.gz YRGHXOIUDOSAPV-OLZOCXBDSA-N 2 2 272.396 3.095 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@@H+]1CCc2ccccc2C1 ZINC000449109446 239183368 /nfs/dbraw/zinc/18/33/68/239183368.db2.gz WUIHOLDWBNETHO-JKSUJKDBSA-N 2 2 298.430 3.247 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@H+]1CCc2ccccc2C1 ZINC000449109446 239183378 /nfs/dbraw/zinc/18/33/78/239183378.db2.gz WUIHOLDWBNETHO-JKSUJKDBSA-N 2 2 298.430 3.247 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449132298 239196737 /nfs/dbraw/zinc/19/67/37/239196737.db2.gz UAKWDEGEHQZPHQ-HIFRSBDPSA-N 2 2 284.403 3.190 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449132298 239196740 /nfs/dbraw/zinc/19/67/40/239196740.db2.gz UAKWDEGEHQZPHQ-HIFRSBDPSA-N 2 2 284.403 3.190 20 0 CGADLP Clc1ccc2[nH+]ccc(NCCn3cc[nH+]c3)c2c1 ZINC000302121729 201350285 /nfs/dbraw/zinc/35/02/85/201350285.db2.gz GMRWIHRVEWMYJJ-UHFFFAOYSA-N 2 2 272.739 3.197 20 0 CGADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000449391505 239376762 /nfs/dbraw/zinc/37/67/62/239376762.db2.gz FHXQTKYITSTCNE-IBGZPJMESA-N 2 2 298.430 3.170 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000450699996 240039770 /nfs/dbraw/zinc/03/97/70/240039770.db2.gz ZDBHXJLCXWLCCQ-ZWKOTPCHSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000450699996 240039776 /nfs/dbraw/zinc/03/97/76/240039776.db2.gz ZDBHXJLCXWLCCQ-ZWKOTPCHSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000450699996 240039779 /nfs/dbraw/zinc/03/97/79/240039779.db2.gz ZDBHXJLCXWLCCQ-ZWKOTPCHSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000450699996 240039785 /nfs/dbraw/zinc/03/97/85/240039785.db2.gz ZDBHXJLCXWLCCQ-ZWKOTPCHSA-N 2 2 294.483 3.140 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335574646 212285268 /nfs/dbraw/zinc/28/52/68/212285268.db2.gz FVHBIQMLOCKIRY-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335574646 212285272 /nfs/dbraw/zinc/28/52/72/212285272.db2.gz FVHBIQMLOCKIRY-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000120915937 370813019 /nfs/dbraw/zinc/81/30/19/370813019.db2.gz KMKGQCCTUVVYEN-KRWDZBQOSA-N 2 2 285.391 3.119 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000121168506 370836665 /nfs/dbraw/zinc/83/66/65/370836665.db2.gz BEWXEPNITPRQQZ-WFASDCNBSA-N 2 2 279.428 3.008 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000121168506 370836670 /nfs/dbraw/zinc/83/66/70/370836670.db2.gz BEWXEPNITPRQQZ-WFASDCNBSA-N 2 2 279.428 3.008 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000459290189 242056603 /nfs/dbraw/zinc/05/66/03/242056603.db2.gz BRKOKILSYLZTDZ-INIZCTEOSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000459290189 242056607 /nfs/dbraw/zinc/05/66/07/242056607.db2.gz BRKOKILSYLZTDZ-INIZCTEOSA-N 2 2 289.810 3.453 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@@H+]1C ZINC000459471213 242120132 /nfs/dbraw/zinc/12/01/32/242120132.db2.gz BHCUBJPWVMEWJQ-CCGTUFIJSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@H+]1C ZINC000459471213 242120135 /nfs/dbraw/zinc/12/01/35/242120135.db2.gz BHCUBJPWVMEWJQ-CCGTUFIJSA-N 2 2 272.436 3.179 20 0 CGADLP CCOC[C@H]1CCCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000459667337 242168497 /nfs/dbraw/zinc/16/84/97/242168497.db2.gz AHOUKPQQCHXEMZ-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CCOC[C@H]1CCCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000459667337 242168503 /nfs/dbraw/zinc/16/85/03/242168503.db2.gz AHOUKPQQCHXEMZ-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459669957 242171425 /nfs/dbraw/zinc/17/14/25/242171425.db2.gz VECDDTLMTANYNP-GDBMZVCRSA-N 2 2 263.429 3.157 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000459674601 242173205 /nfs/dbraw/zinc/17/32/05/242173205.db2.gz ZPLNNKWCZDQLJY-UHFFFAOYSA-N 2 2 269.392 3.020 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000459672732 242173657 /nfs/dbraw/zinc/17/36/57/242173657.db2.gz YCJIPLDFCIDNAJ-SJORKVTESA-N 2 2 287.382 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@@H]1C ZINC000459673392 242174239 /nfs/dbraw/zinc/17/42/39/242174239.db2.gz YQPBJSWKHUKBKW-DZKIICNBSA-N 2 2 263.429 3.013 20 0 CGADLP Cc1ccc2c(C)cc(NC[C@H](C3CC3)[NH+](C)C)[nH+]c2c1 ZINC000460931433 242288152 /nfs/dbraw/zinc/28/81/52/242288152.db2.gz BSKUHEOIFGKPEK-QGZVFWFLSA-N 2 2 283.419 3.026 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000480272312 243143055 /nfs/dbraw/zinc/14/30/55/243143055.db2.gz COKXNRRQEACVOJ-RDJZCZTQSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)cc1 ZINC000482540142 243231667 /nfs/dbraw/zinc/23/16/67/243231667.db2.gz CODXLZLAOVLCHV-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000482540142 243231673 /nfs/dbraw/zinc/23/16/73/243231673.db2.gz CODXLZLAOVLCHV-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000482539548 243232961 /nfs/dbraw/zinc/23/29/61/243232961.db2.gz WVUQLIQMIUZNII-BVBHFADKSA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000482539548 243232965 /nfs/dbraw/zinc/23/29/65/243232965.db2.gz WVUQLIQMIUZNII-BVBHFADKSA-N 2 2 286.463 3.328 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000483974406 243304754 /nfs/dbraw/zinc/30/47/54/243304754.db2.gz HBIHQCDXCLGMRC-DZGCQCFKSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000483974406 243304761 /nfs/dbraw/zinc/30/47/61/243304761.db2.gz HBIHQCDXCLGMRC-DZGCQCFKSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1C ZINC000484469069 243313674 /nfs/dbraw/zinc/31/36/74/243313674.db2.gz CRNQBOUJFRNJFX-NVXWUHKLSA-N 2 2 292.492 3.391 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)C1CC1)[NH+](C)C ZINC000483331178 243278488 /nfs/dbraw/zinc/27/84/88/243278488.db2.gz PHQYNZMHMORLRB-CPUCHLNUSA-N 2 2 260.425 3.374 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000484490831 243316401 /nfs/dbraw/zinc/31/64/01/243316401.db2.gz YLFDISXGEQTXRC-DOTOQJQBSA-N 2 2 292.492 3.391 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125028614 370929487 /nfs/dbraw/zinc/92/94/87/370929487.db2.gz DKGYXCSPQBZXIC-MSOLQXFVSA-N 2 2 290.451 3.147 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1F ZINC000019905781 368779236 /nfs/dbraw/zinc/77/92/36/368779236.db2.gz MGZZGJXNSXPGNA-GFCCVEGCSA-N 2 2 252.377 3.064 20 0 CGADLP C[NH+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019958459 368789618 /nfs/dbraw/zinc/78/96/18/368789618.db2.gz GZEOKXZWFXAGDJ-SFHVURJKSA-N 2 2 286.394 3.456 20 0 CGADLP Fc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000035254872 369002257 /nfs/dbraw/zinc/00/22/57/369002257.db2.gz NQZDCYPPFGZJPG-UHFFFAOYSA-N 2 2 281.334 3.301 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000037157376 369072119 /nfs/dbraw/zinc/07/21/19/369072119.db2.gz IZHCNERLCJLYDM-CJNGLKHVSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000037157249 369073408 /nfs/dbraw/zinc/07/34/08/369073408.db2.gz PROXLQBORMMRRY-VXGBXAGGSA-N 2 2 263.772 3.276 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000037977207 369129631 /nfs/dbraw/zinc/12/96/31/369129631.db2.gz JRIVHUPQQFERPK-UHFFFAOYSA-N 2 2 258.365 3.007 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000037997017 369136676 /nfs/dbraw/zinc/13/66/76/369136676.db2.gz PBTOCXCZRGFGKX-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000037997017 369136683 /nfs/dbraw/zinc/13/66/83/369136683.db2.gz PBTOCXCZRGFGKX-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119051 369174706 /nfs/dbraw/zinc/17/47/06/369174706.db2.gz NLXIZHONJQCNBT-CQSZACIVSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357141 299397493 /nfs/dbraw/zinc/39/74/93/299397493.db2.gz HUYCBRORYJDNNY-UHIISALHSA-N 2 2 286.341 3.354 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493903516 244251440 /nfs/dbraw/zinc/25/14/40/244251440.db2.gz ADLQSINKXWIRFN-UHFFFAOYSA-N 2 2 290.451 3.056 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493903516 244251443 /nfs/dbraw/zinc/25/14/43/244251443.db2.gz ADLQSINKXWIRFN-UHFFFAOYSA-N 2 2 290.451 3.056 20 0 CGADLP c1csc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC000043326838 369249169 /nfs/dbraw/zinc/24/91/69/369249169.db2.gz JAQDQDMOUQJNCC-ZFWWWQNUSA-N 2 2 264.438 3.321 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000494410445 244285202 /nfs/dbraw/zinc/28/52/02/244285202.db2.gz GBTIEJHLZRHAQI-CYBMUJFWSA-N 2 2 283.400 3.202 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494436388 244290868 /nfs/dbraw/zinc/29/08/68/244290868.db2.gz KTSUFIOSCCXVSN-MRXNPFEDSA-N 2 2 299.418 3.023 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000045664093 369283865 /nfs/dbraw/zinc/28/38/65/369283865.db2.gz XPUKKZZIQHWITJ-NSHDSACASA-N 2 2 272.795 3.472 20 0 CGADLP C(=C\c1ccncc1)\C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000495077045 244353859 /nfs/dbraw/zinc/35/38/59/244353859.db2.gz CONQKTDGGBHFNE-PLNGDYQASA-N 2 2 285.435 3.045 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000049574421 369411214 /nfs/dbraw/zinc/41/12/14/369411214.db2.gz JOUDXVQGDRMWBA-SFHVURJKSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286616 193271966 /nfs/dbraw/zinc/27/19/66/193271966.db2.gz SLPQSRFHAHAMQJ-JKIFEVAISA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286616 193271967 /nfs/dbraw/zinc/27/19/67/193271967.db2.gz SLPQSRFHAHAMQJ-JKIFEVAISA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286616 193271969 /nfs/dbraw/zinc/27/19/69/193271969.db2.gz SLPQSRFHAHAMQJ-JKIFEVAISA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286616 193271970 /nfs/dbraw/zinc/27/19/70/193271970.db2.gz SLPQSRFHAHAMQJ-JKIFEVAISA-N 2 2 292.854 3.470 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061980790 369613303 /nfs/dbraw/zinc/61/33/03/369613303.db2.gz UVQAIQAGRJZHDF-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061980790 369613310 /nfs/dbraw/zinc/61/33/10/369613310.db2.gz UVQAIQAGRJZHDF-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000276448941 193335133 /nfs/dbraw/zinc/33/51/33/193335133.db2.gz MRBOVCJLCIEHMO-INIZCTEOSA-N 2 2 284.407 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000276448941 193335134 /nfs/dbraw/zinc/33/51/34/193335134.db2.gz MRBOVCJLCIEHMO-INIZCTEOSA-N 2 2 284.407 3.273 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000063105887 369640534 /nfs/dbraw/zinc/64/05/34/369640534.db2.gz RQMRHNHAURELSL-UHFFFAOYSA-N 2 2 269.392 3.439 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000422776741 296149599 /nfs/dbraw/zinc/14/95/99/296149599.db2.gz DJNPGKNLKBETJL-BDAKNGLRSA-N 2 2 273.207 3.252 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858675 369841313 /nfs/dbraw/zinc/84/13/13/369841313.db2.gz UNQUUSAUIJOPRA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858675 369841316 /nfs/dbraw/zinc/84/13/16/369841316.db2.gz UNQUUSAUIJOPRA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858675 369841319 /nfs/dbraw/zinc/84/13/19/369841319.db2.gz UNQUUSAUIJOPRA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000072858675 369841323 /nfs/dbraw/zinc/84/13/23/369841323.db2.gz UNQUUSAUIJOPRA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+](C)C)cc1 ZINC000090208415 370057837 /nfs/dbraw/zinc/05/78/37/370057837.db2.gz JBIPXBADRMQJOE-UHFFFAOYSA-N 2 2 272.396 3.138 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043608 370090181 /nfs/dbraw/zinc/09/01/81/370090181.db2.gz BRLLDVLWYHICGJ-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043608 370090187 /nfs/dbraw/zinc/09/01/87/370090187.db2.gz BRLLDVLWYHICGJ-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043608 370090191 /nfs/dbraw/zinc/09/01/91/370090191.db2.gz BRLLDVLWYHICGJ-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)CC[C@@H]21 ZINC000092043608 370090195 /nfs/dbraw/zinc/09/01/95/370090195.db2.gz BRLLDVLWYHICGJ-DOMZBBRYSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1nccs1 ZINC000093404788 370123291 /nfs/dbraw/zinc/12/32/91/370123291.db2.gz KFJICIJBLWGIQP-LBPRGKRZSA-N 2 2 276.409 3.081 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1nccs1 ZINC000093404789 370123815 /nfs/dbraw/zinc/12/38/15/370123815.db2.gz KFJICIJBLWGIQP-GFCCVEGCSA-N 2 2 276.409 3.081 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422992114 296154625 /nfs/dbraw/zinc/15/46/25/296154625.db2.gz QRMIBFFSLVBMNG-UHOFOFEASA-N 2 2 258.409 3.139 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@@H+]1C ZINC000093644932 370152573 /nfs/dbraw/zinc/15/25/73/370152573.db2.gz RQDSKPFZWWERDW-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@H+]1C ZINC000093644932 370152574 /nfs/dbraw/zinc/15/25/74/370152574.db2.gz RQDSKPFZWWERDW-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644932 370152577 /nfs/dbraw/zinc/15/25/77/370152577.db2.gz RQDSKPFZWWERDW-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644932 370152578 /nfs/dbraw/zinc/15/25/78/370152578.db2.gz RQDSKPFZWWERDW-GXTWGEPZSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093645121 370152863 /nfs/dbraw/zinc/15/28/63/370152863.db2.gz MHZREMRFSSAQER-KGLIPLIRSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093645121 370152868 /nfs/dbraw/zinc/15/28/68/370152868.db2.gz MHZREMRFSSAQER-KGLIPLIRSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000093645121 370152873 /nfs/dbraw/zinc/15/28/73/370152873.db2.gz MHZREMRFSSAQER-KGLIPLIRSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000093645121 370152880 /nfs/dbraw/zinc/15/28/80/370152880.db2.gz MHZREMRFSSAQER-KGLIPLIRSA-N 2 2 295.496 3.256 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3F)C2)CCC1 ZINC000097927772 370257837 /nfs/dbraw/zinc/25/78/37/370257837.db2.gz BJQROVSOQXSPHN-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)on2)cc1 ZINC000113512834 370476687 /nfs/dbraw/zinc/47/66/87/370476687.db2.gz PQJIJHVUAMUMRI-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)on2)cc1 ZINC000113512834 370476693 /nfs/dbraw/zinc/47/66/93/370476693.db2.gz PQJIJHVUAMUMRI-HNNXBMFYSA-N 2 2 299.418 3.034 20 0 CGADLP C[C@@H]1SCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000118416656 370615911 /nfs/dbraw/zinc/61/59/11/370615911.db2.gz CHZNRKXLSREGFD-KBPBESRZSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1SCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000118416656 370615913 /nfs/dbraw/zinc/61/59/13/370615913.db2.gz CHZNRKXLSREGFD-KBPBESRZSA-N 2 2 287.432 3.198 20 0 CGADLP Cc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000129810652 371002230 /nfs/dbraw/zinc/00/22/30/371002230.db2.gz XCEDUWUHESHBEY-GXTWGEPZSA-N 2 2 276.428 3.049 20 0 CGADLP Cc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000129810652 371002234 /nfs/dbraw/zinc/00/22/34/371002234.db2.gz XCEDUWUHESHBEY-GXTWGEPZSA-N 2 2 276.428 3.049 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1ccccc1F ZINC000130394398 371030607 /nfs/dbraw/zinc/03/06/07/371030607.db2.gz QPLOJDSNNSQSSS-UHFFFAOYSA-N 2 2 293.411 3.136 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1ccccc1F ZINC000130394398 371030614 /nfs/dbraw/zinc/03/06/14/371030614.db2.gz QPLOJDSNNSQSSS-UHFFFAOYSA-N 2 2 293.411 3.136 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130792228 371060021 /nfs/dbraw/zinc/06/00/21/371060021.db2.gz GQKVXPRDQYQKNB-NVXWUHKLSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130792228 371060025 /nfs/dbraw/zinc/06/00/25/371060025.db2.gz GQKVXPRDQYQKNB-NVXWUHKLSA-N 2 2 290.451 3.294 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000130962790 371073225 /nfs/dbraw/zinc/07/32/25/371073225.db2.gz SMWALCDAEVMNRU-UHFFFAOYSA-N 2 2 258.365 3.007 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131943975 371141990 /nfs/dbraw/zinc/14/19/90/371141990.db2.gz TUMHONPOWJDFRX-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131943975 371141995 /nfs/dbraw/zinc/14/19/95/371141995.db2.gz TUMHONPOWJDFRX-QGZVFWFLSA-N 2 2 268.360 3.043 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131657390 371122627 /nfs/dbraw/zinc/12/26/27/371122627.db2.gz UYVOVQCDCHCCLP-OAHLLOKOSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131657390 371122632 /nfs/dbraw/zinc/12/26/32/371122632.db2.gz UYVOVQCDCHCCLP-OAHLLOKOSA-N 2 2 290.313 3.013 20 0 CGADLP CC[C@@H]1C[C@@]1([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C)c1 ZINC000337301460 376203546 /nfs/dbraw/zinc/20/35/46/376203546.db2.gz PTMNJPHCESSHDU-CJNGLKHVSA-N 2 2 255.365 3.133 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(C)ccc1OC ZINC000537885576 376206109 /nfs/dbraw/zinc/20/61/09/376206109.db2.gz KQWGZOFWHZDONA-RDJZCZTQSA-N 2 2 290.451 3.386 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(C)ccc1OC ZINC000537885576 376206113 /nfs/dbraw/zinc/20/61/13/376206113.db2.gz KQWGZOFWHZDONA-RDJZCZTQSA-N 2 2 290.451 3.386 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522738 371513215 /nfs/dbraw/zinc/51/32/15/371513215.db2.gz NHQHAKONYYVRLS-KSUSPKLCSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522738 371513217 /nfs/dbraw/zinc/51/32/17/371513217.db2.gz NHQHAKONYYVRLS-KSUSPKLCSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@H]([NH2+]CCOC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000287908132 371717498 /nfs/dbraw/zinc/71/74/98/371717498.db2.gz VGZIIMZHCHFSFA-AWEZNQCLSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421866221 371688687 /nfs/dbraw/zinc/68/86/87/371688687.db2.gz AIXRDIPILPYPLO-DAXOMENPSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421866221 371688693 /nfs/dbraw/zinc/68/86/93/371688693.db2.gz AIXRDIPILPYPLO-DAXOMENPSA-N 2 2 294.389 3.455 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1C(C)C ZINC000422702670 371760065 /nfs/dbraw/zinc/76/00/65/371760065.db2.gz FRVIGPMLVWOGCK-QWHCGFSZSA-N 2 2 281.469 3.325 20 0 CGADLP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422707682 371761993 /nfs/dbraw/zinc/76/19/93/371761993.db2.gz ANEVNGLFCZXQFL-OAUYIBNBSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422721176 371767266 /nfs/dbraw/zinc/76/72/66/371767266.db2.gz NKXKLKIMIXVFCX-CJNGLKHVSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422743533 371779616 /nfs/dbraw/zinc/77/96/16/371779616.db2.gz RQPDTAVRDFDHIY-STQMWFEESA-N 2 2 295.496 3.103 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422871171 371847161 /nfs/dbraw/zinc/84/71/61/371847161.db2.gz CPPOTMPERYVMHM-UONOGXRCSA-N 2 2 298.377 3.346 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000289904186 371850416 /nfs/dbraw/zinc/85/04/16/371850416.db2.gz WVNZNDFXOQFJCA-WMZOPIPTSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000289904186 371850417 /nfs/dbraw/zinc/85/04/17/371850417.db2.gz WVNZNDFXOQFJCA-WMZOPIPTSA-N 2 2 290.451 3.338 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000154585852 371860027 /nfs/dbraw/zinc/86/00/27/371860027.db2.gz DWMCQHYFFBKLEA-DOMZBBRYSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000154585852 371860033 /nfs/dbraw/zinc/86/00/33/371860033.db2.gz DWMCQHYFFBKLEA-DOMZBBRYSA-N 2 2 268.351 3.100 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078082 217039056 /nfs/dbraw/zinc/03/90/56/217039056.db2.gz XBXYHBAQJCKEDY-KBXCAEBGSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078082 217039058 /nfs/dbraw/zinc/03/90/58/217039058.db2.gz XBXYHBAQJCKEDY-KBXCAEBGSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422939388 371881788 /nfs/dbraw/zinc/88/17/88/371881788.db2.gz RIDXNSJXANPZKU-BXUZGUMPSA-N 2 2 264.800 3.059 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422938106 371881848 /nfs/dbraw/zinc/88/18/48/371881848.db2.gz PJLFPZYEXQCYRZ-HOTGVXAUSA-N 2 2 276.424 3.081 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@@H]1CCC[NH2+]1 ZINC000423050842 371936048 /nfs/dbraw/zinc/93/60/48/371936048.db2.gz MQXXSRRVPMIRGG-RDBSUJKOSA-N 2 2 264.438 3.246 20 0 CGADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCS1 ZINC000290073442 371894339 /nfs/dbraw/zinc/89/43/39/371894339.db2.gz QFBIBAUHDMANJF-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCS1 ZINC000290073442 371894343 /nfs/dbraw/zinc/89/43/43/371894343.db2.gz QFBIBAUHDMANJF-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CCCOc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422971884 371897967 /nfs/dbraw/zinc/89/79/67/371897967.db2.gz KAQABGTUJSKZAJ-DLBZAZTESA-N 2 2 297.402 3.105 20 0 CGADLP CCCCCn1cc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000423030285 371924914 /nfs/dbraw/zinc/92/49/14/371924914.db2.gz VYTZWVHCXXSOCA-SJORKVTESA-N 2 2 292.471 3.002 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1csc2ccccc12 ZINC000290186568 371927378 /nfs/dbraw/zinc/92/73/78/371927378.db2.gz ZPRFONDPLRMCQY-UHFFFAOYSA-N 2 2 285.416 3.309 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1csc2ccccc12 ZINC000290186568 371927388 /nfs/dbraw/zinc/92/73/88/371927388.db2.gz ZPRFONDPLRMCQY-UHFFFAOYSA-N 2 2 285.416 3.309 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092676 371958594 /nfs/dbraw/zinc/95/85/94/371958594.db2.gz CXYDCNFCUBKROM-DZRCGBNOSA-N 2 2 296.817 3.255 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290320851 371962461 /nfs/dbraw/zinc/96/24/61/371962461.db2.gz CYXHOZZBPJOPAC-UHFFFAOYSA-N 2 2 299.418 3.119 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000290320851 371962468 /nfs/dbraw/zinc/96/24/68/371962468.db2.gz CYXHOZZBPJOPAC-UHFFFAOYSA-N 2 2 299.418 3.119 20 0 CGADLP CCC1(C[NH2+]CCCc2c[nH+]ccc2C)CCOCC1 ZINC000290326073 371964233 /nfs/dbraw/zinc/96/42/33/371964233.db2.gz JXHXFHXNVLOJIG-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(CSC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423115494 371974246 /nfs/dbraw/zinc/97/42/46/371974246.db2.gz YAPIJFZLNWKMLX-HOTGVXAUSA-N 2 2 278.465 3.170 20 0 CGADLP Cc1nc(CC[NH2+]CCCc2c[nH+]ccc2C)sc1C ZINC000290382784 371977968 /nfs/dbraw/zinc/97/79/68/371977968.db2.gz OEFWDEOYGMOKOP-UHFFFAOYSA-N 2 2 289.448 3.228 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000290406118 371983512 /nfs/dbraw/zinc/98/35/12/371983512.db2.gz PTDOSPPKXOCMTH-HNNXBMFYSA-N 2 2 284.403 3.249 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142426 371988679 /nfs/dbraw/zinc/98/86/79/371988679.db2.gz VDLLQYXIYTYWHB-XLAORIBOSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142426 371988685 /nfs/dbraw/zinc/98/86/85/371988685.db2.gz VDLLQYXIYTYWHB-XLAORIBOSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142424 371988726 /nfs/dbraw/zinc/98/87/26/371988726.db2.gz VDLLQYXIYTYWHB-VSZNYVQBSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142424 371988739 /nfs/dbraw/zinc/98/87/39/371988739.db2.gz VDLLQYXIYTYWHB-VSZNYVQBSA-N 3 2 295.515 3.007 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423152712 371994555 /nfs/dbraw/zinc/99/45/55/371994555.db2.gz MAZNOXYRKACWAZ-AETAKHFUSA-N 2 2 288.435 3.124 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC=C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423070358 371946201 /nfs/dbraw/zinc/94/62/01/371946201.db2.gz NAIOIVXYFSCRID-QZTJIDSGSA-N 2 2 288.435 3.434 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073450 371947602 /nfs/dbraw/zinc/94/76/02/371947602.db2.gz RMZCLWLRDURNFT-COPLHBTASA-N 2 2 276.355 3.363 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423197459 372021149 /nfs/dbraw/zinc/02/11/49/372021149.db2.gz ZNASQZUMTZXHJD-RBUKOAKNSA-N 2 2 298.405 3.451 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000157477131 372024264 /nfs/dbraw/zinc/02/42/64/372024264.db2.gz JEXBVHAJTLFBKE-CQSZACIVSA-N 2 2 275.371 3.023 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000423395500 372060344 /nfs/dbraw/zinc/06/03/44/372060344.db2.gz STUVXEPQUXWBQI-DZGCQCFKSA-N 2 2 262.397 3.025 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000423201714 372026362 /nfs/dbraw/zinc/02/63/62/372026362.db2.gz JDJKXJFZJHJZKF-ZWNOBZJWSA-N 2 2 273.207 3.396 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CCC2)o1 ZINC000423277060 372046709 /nfs/dbraw/zinc/04/67/09/372046709.db2.gz PAMUGYLAJDHCIH-UKRRQHHQSA-N 2 2 250.386 3.002 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCC1 ZINC000423339918 372053926 /nfs/dbraw/zinc/05/39/26/372053926.db2.gz XCSCUIDPCCDMLM-LBPRGKRZSA-N 2 2 285.218 3.452 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423342931 372054026 /nfs/dbraw/zinc/05/40/26/372054026.db2.gz ZNQKYROPSGCZTJ-KCJUWKMLSA-N 2 2 289.206 3.144 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423364122 372055440 /nfs/dbraw/zinc/05/54/40/372055440.db2.gz JNYJCQCBYNTART-QWRGUYRKSA-N 2 2 275.421 3.116 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384840 372058498 /nfs/dbraw/zinc/05/84/98/372058498.db2.gz IBBICYGMIGECSH-WBMJQRKESA-N 2 2 264.388 3.255 20 0 CGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423184475 372012277 /nfs/dbraw/zinc/01/22/77/372012277.db2.gz TZPVPNXWICRFRZ-CYBMUJFWSA-N 2 2 292.423 3.016 20 0 CGADLP CSC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000290870865 372067209 /nfs/dbraw/zinc/06/72/09/372067209.db2.gz LIHAZJJHFMURDH-UHFFFAOYSA-N 2 2 289.448 3.371 20 0 CGADLP CSCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426723173 372168978 /nfs/dbraw/zinc/16/89/78/372168978.db2.gz KNODLLSWOXTMGM-UHFFFAOYSA-N 2 2 272.502 3.326 20 0 CGADLP CSCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426723173 372168982 /nfs/dbraw/zinc/16/89/82/372168982.db2.gz KNODLLSWOXTMGM-UHFFFAOYSA-N 2 2 272.502 3.326 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427709013 372175622 /nfs/dbraw/zinc/17/56/22/372175622.db2.gz FIZAOOZXMLYTCU-SFHVURJKSA-N 2 2 290.451 3.004 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000427709013 372175627 /nfs/dbraw/zinc/17/56/27/372175627.db2.gz FIZAOOZXMLYTCU-SFHVURJKSA-N 2 2 290.451 3.004 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CC34CCCC4)c[nH+]c12 ZINC000428540609 372228429 /nfs/dbraw/zinc/22/84/29/372228429.db2.gz OKEBNQVEDURVHY-CQSZACIVSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@@H+]1C ZINC000344327163 217151502 /nfs/dbraw/zinc/15/15/02/217151502.db2.gz JQXHXNXTUMZVOK-MAUKXSAKSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CCC[N@H+]1C ZINC000344327163 217151505 /nfs/dbraw/zinc/15/15/05/217151505.db2.gz JQXHXNXTUMZVOK-MAUKXSAKSA-N 2 2 295.430 3.321 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCCS3)c2)c[nH+]1 ZINC000344329051 217153339 /nfs/dbraw/zinc/15/33/39/217153339.db2.gz SCHMGEPLAFIENI-ZDUSSCGKSA-N 2 2 293.461 3.309 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344331946 217155068 /nfs/dbraw/zinc/15/50/68/217155068.db2.gz YFBHKIRWXSRIJO-YOEHRIQHSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344331946 217155070 /nfs/dbraw/zinc/15/50/70/217155070.db2.gz YFBHKIRWXSRIJO-YOEHRIQHSA-N 2 2 276.424 3.046 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000162278298 372384018 /nfs/dbraw/zinc/38/40/18/372384018.db2.gz GVHBIWIUYLFFHH-HNNXBMFYSA-N 2 2 287.451 3.214 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293562507 372411990 /nfs/dbraw/zinc/41/19/90/372411990.db2.gz MGGFVXMWTBEPNL-STQMWFEESA-N 2 2 282.815 3.008 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183472 372452253 /nfs/dbraw/zinc/45/22/53/372452253.db2.gz QNGZTGOYENJVRJ-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000163183472 372452255 /nfs/dbraw/zinc/45/22/55/372452255.db2.gz QNGZTGOYENJVRJ-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCCC3CC3)C2)cc1 ZINC000163351219 372464208 /nfs/dbraw/zinc/46/42/08/372464208.db2.gz OZZNEKWEIQLEJH-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCCC3CC3)C2)cc1 ZINC000163351219 372464217 /nfs/dbraw/zinc/46/42/17/372464217.db2.gz OZZNEKWEIQLEJH-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1F ZINC000163781091 372491555 /nfs/dbraw/zinc/49/15/55/372491555.db2.gz UQQDWIWWGIXNQU-ZDUSSCGKSA-N 2 2 273.355 3.374 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000164439327 372518074 /nfs/dbraw/zinc/51/80/74/372518074.db2.gz QGVXHFGNCCYGLZ-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000164439327 372518081 /nfs/dbraw/zinc/51/80/81/372518081.db2.gz QGVXHFGNCCYGLZ-HOCLYGCPSA-N 2 2 297.446 3.234 20 0 CGADLP COc1cccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)c1 ZINC000353375853 220050147 /nfs/dbraw/zinc/05/01/47/220050147.db2.gz BAKNEDAMEWTICB-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1cccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)c1 ZINC000353375853 220050149 /nfs/dbraw/zinc/05/01/49/220050149.db2.gz BAKNEDAMEWTICB-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000167854147 372604883 /nfs/dbraw/zinc/60/48/83/372604883.db2.gz YSAUQEZFBPPTSV-HLLBOEOZSA-N 2 2 290.451 3.130 20 0 CGADLP CC(C)COc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000170961331 372690871 /nfs/dbraw/zinc/69/08/71/372690871.db2.gz TWLMSQPJGXOPCU-UHFFFAOYSA-N 2 2 287.407 3.469 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1sccc1C)CCC2 ZINC000344549163 217228783 /nfs/dbraw/zinc/22/87/83/217228783.db2.gz PCASQRMIEXHHDY-ZDUSSCGKSA-N 2 2 275.421 3.229 20 0 CGADLP CCCc1nc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435629771 372786792 /nfs/dbraw/zinc/78/67/92/372786792.db2.gz YHTMYTHBNJZPGE-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1nc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435629771 372786798 /nfs/dbraw/zinc/78/67/98/372786798.db2.gz YHTMYTHBNJZPGE-CQSZACIVSA-N 2 2 281.469 3.060 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000438081894 372871824 /nfs/dbraw/zinc/87/18/24/372871824.db2.gz PVTJCFFWLUEMRH-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000438081894 372871828 /nfs/dbraw/zinc/87/18/28/372871828.db2.gz PVTJCFFWLUEMRH-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1F ZINC000295934537 372964601 /nfs/dbraw/zinc/96/46/01/372964601.db2.gz FYKPBWDJWHTPNB-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1F ZINC000295934537 372964606 /nfs/dbraw/zinc/96/46/06/372964606.db2.gz FYKPBWDJWHTPNB-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC000295934537 372964612 /nfs/dbraw/zinc/96/46/12/372964612.db2.gz FYKPBWDJWHTPNB-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC000295934537 372964619 /nfs/dbraw/zinc/96/46/19/372964619.db2.gz FYKPBWDJWHTPNB-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(O)c1Cl ZINC000353523878 220137105 /nfs/dbraw/zinc/13/71/05/220137105.db2.gz UMXPDPOURBXGMU-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(O)c1Cl ZINC000353523878 220137107 /nfs/dbraw/zinc/13/71/07/220137107.db2.gz UMXPDPOURBXGMU-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172575952 372990700 /nfs/dbraw/zinc/99/07/00/372990700.db2.gz XMMWGRYMFZWFIU-MRXNPFEDSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172575952 372990712 /nfs/dbraw/zinc/99/07/12/372990712.db2.gz XMMWGRYMFZWFIU-MRXNPFEDSA-N 2 2 294.389 3.415 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296238598 373063459 /nfs/dbraw/zinc/06/34/59/373063459.db2.gz ARZKMOXYUPGFLB-NEPJUHHUSA-N 2 2 293.798 3.039 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cn1 ZINC000296333364 373094314 /nfs/dbraw/zinc/09/43/14/373094314.db2.gz HKAGKGNNNCMANS-HLVVYCRESA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cn1 ZINC000296333364 373094322 /nfs/dbraw/zinc/09/43/22/373094322.db2.gz HKAGKGNNNCMANS-HLVVYCRESA-N 2 2 279.815 3.011 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344839525 217328144 /nfs/dbraw/zinc/32/81/44/217328144.db2.gz PTEJUWGTFPYZFB-QAPCUYQASA-N 2 2 289.467 3.107 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344839525 217328147 /nfs/dbraw/zinc/32/81/47/217328147.db2.gz PTEJUWGTFPYZFB-QAPCUYQASA-N 2 2 289.467 3.107 20 0 CGADLP CC[C@@H](C[N@H+](CC)CCc1c[nH+]cn1C)c1ccccc1 ZINC000298556383 373354882 /nfs/dbraw/zinc/35/48/82/373354882.db2.gz VJGIZBAKCKOHDQ-INIZCTEOSA-N 2 2 285.435 3.478 20 0 CGADLP CC[C@@H](C[N@@H+](CC)CCc1c[nH+]cn1C)c1ccccc1 ZINC000298556383 373354885 /nfs/dbraw/zinc/35/48/85/373354885.db2.gz VJGIZBAKCKOHDQ-INIZCTEOSA-N 2 2 285.435 3.478 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836032 373369040 /nfs/dbraw/zinc/36/90/40/373369040.db2.gz OENQMFTWUAPOHY-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836032 373369044 /nfs/dbraw/zinc/36/90/44/373369044.db2.gz OENQMFTWUAPOHY-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446843956 373372057 /nfs/dbraw/zinc/37/20/57/373372057.db2.gz DANSUGOVANFOMU-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446843956 373372063 /nfs/dbraw/zinc/37/20/63/373372063.db2.gz DANSUGOVANFOMU-GFCCVEGCSA-N 2 2 280.378 3.429 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000299362215 373518777 /nfs/dbraw/zinc/51/87/77/373518777.db2.gz VNRQZTWYHVFUGU-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000353640812 220212750 /nfs/dbraw/zinc/21/27/50/220212750.db2.gz IASRKAGZXZEJCR-WMLDXEAASA-N 2 2 285.366 3.147 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000353640812 220212753 /nfs/dbraw/zinc/21/27/53/220212753.db2.gz IASRKAGZXZEJCR-WMLDXEAASA-N 2 2 285.366 3.147 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)C(C2CC2)C2CC2)c[nH+]1 ZINC000353656209 220229374 /nfs/dbraw/zinc/22/93/74/220229374.db2.gz KTZIGVMSWVZMOC-UHFFFAOYSA-N 2 2 258.409 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+](C)C(C2CC2)C2CC2)c[nH+]1 ZINC000353656209 220229378 /nfs/dbraw/zinc/22/93/78/220229378.db2.gz KTZIGVMSWVZMOC-UHFFFAOYSA-N 2 2 258.409 3.443 20 0 CGADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]cn1)c1ccsc1 ZINC000301257186 373715249 /nfs/dbraw/zinc/71/52/49/373715249.db2.gz RDNSBWWUIOWFOP-AWEZNQCLSA-N 2 2 290.436 3.342 20 0 CGADLP Cc1cc(NC2CC[NH+](CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301115678 373664689 /nfs/dbraw/zinc/66/46/89/373664689.db2.gz YAGFOUHIFHQXKP-UHFFFAOYSA-N 2 2 290.455 3.441 20 0 CGADLP CCOC[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353657072 220230636 /nfs/dbraw/zinc/23/06/36/220230636.db2.gz GIKFAYJQFAAFAD-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP CCOC[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353657072 220230637 /nfs/dbraw/zinc/23/06/37/220230637.db2.gz GIKFAYJQFAAFAD-QGZVFWFLSA-N 2 2 276.424 3.071 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293268 373672682 /nfs/dbraw/zinc/67/26/82/373672682.db2.gz ZEOSWHOGSGMOBO-CABCVRRESA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293268 373672690 /nfs/dbraw/zinc/67/26/90/373672690.db2.gz ZEOSWHOGSGMOBO-CABCVRRESA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000177340494 373676994 /nfs/dbraw/zinc/67/69/94/373676994.db2.gz BRWXCHOVEWXSTI-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000177340494 373677000 /nfs/dbraw/zinc/67/70/00/373677000.db2.gz BRWXCHOVEWXSTI-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449352587 373683061 /nfs/dbraw/zinc/68/30/61/373683061.db2.gz VPGBZDYWOGSLBO-PJSAGSTRSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449352587 373683066 /nfs/dbraw/zinc/68/30/66/373683066.db2.gz VPGBZDYWOGSLBO-PJSAGSTRSA-N 2 2 288.410 3.275 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000178411492 373775039 /nfs/dbraw/zinc/77/50/39/373775039.db2.gz JECCCAQVARAORV-AWEZNQCLSA-N 2 2 264.413 3.369 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000178311302 373764807 /nfs/dbraw/zinc/76/48/07/373764807.db2.gz IEDJOGKUYLKHMT-LBPRGKRZSA-N 2 2 282.815 3.095 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)C3CCC3)n2c1 ZINC000449521217 373820306 /nfs/dbraw/zinc/82/03/06/373820306.db2.gz REAWESSFBIIWNL-UHFFFAOYSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1cccn2c(C[NH2+]C34CCC(CC3)CC4)c[nH+]c12 ZINC000449530892 373828423 /nfs/dbraw/zinc/82/84/23/373828423.db2.gz BVZRCOAJYZNDDV-UHFFFAOYSA-N 2 2 269.392 3.455 20 0 CGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000449492414 373783125 /nfs/dbraw/zinc/78/31/25/373783125.db2.gz JCZXAZWKOKZQNC-CRAIPNDOSA-N 2 2 299.418 3.119 20 0 CGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000449492414 373783128 /nfs/dbraw/zinc/78/31/28/373783128.db2.gz JCZXAZWKOKZQNC-CRAIPNDOSA-N 2 2 299.418 3.119 20 0 CGADLP CO[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)CC1(C)C ZINC000449495143 373789127 /nfs/dbraw/zinc/78/91/27/373789127.db2.gz CHGJWWNETCKHBC-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP CO[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1(C)C ZINC000449495143 373789132 /nfs/dbraw/zinc/78/91/32/373789132.db2.gz CHGJWWNETCKHBC-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc(C)c(C[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000449732732 373857574 /nfs/dbraw/zinc/85/75/74/373857574.db2.gz CYUHPCNSZYJGDQ-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP COC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449782338 373912662 /nfs/dbraw/zinc/91/26/62/373912662.db2.gz YWLIPTXREFPBSE-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP COC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449782338 373912669 /nfs/dbraw/zinc/91/26/69/373912669.db2.gz YWLIPTXREFPBSE-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000179840300 373926007 /nfs/dbraw/zinc/92/60/07/373926007.db2.gz PUBALPWVTMUYKC-CQSZACIVSA-N 2 2 287.451 3.427 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000180348885 373993439 /nfs/dbraw/zinc/99/34/39/373993439.db2.gz SZCGJQMRTIWCHX-GDBMZVCRSA-N 2 2 270.420 3.281 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000180348885 373993441 /nfs/dbraw/zinc/99/34/41/373993441.db2.gz SZCGJQMRTIWCHX-GDBMZVCRSA-N 2 2 270.420 3.281 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC3=CCCCC3)CC2)CCO1 ZINC000450285757 374040032 /nfs/dbraw/zinc/04/00/32/374040032.db2.gz MJLFOWHOAHTSHJ-MRXNPFEDSA-N 2 2 292.467 3.062 20 0 CGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCC3=CCCCC3)CC2)CCO1 ZINC000450285757 374040040 /nfs/dbraw/zinc/04/00/40/374040040.db2.gz MJLFOWHOAHTSHJ-MRXNPFEDSA-N 2 2 292.467 3.062 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C12CCC2 ZINC000180749044 374040734 /nfs/dbraw/zinc/04/07/34/374040734.db2.gz CGWJSDXOJFALSU-JKSUJKDBSA-N 2 2 299.418 3.114 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000450465075 374148436 /nfs/dbraw/zinc/14/84/36/374148436.db2.gz DBKRTGIUXYTPJW-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@H+]1C ZINC000450465075 374148441 /nfs/dbraw/zinc/14/84/41/374148441.db2.gz DBKRTGIUXYTPJW-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465075 374148443 /nfs/dbraw/zinc/14/84/43/374148443.db2.gz DBKRTGIUXYTPJW-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465075 374148450 /nfs/dbraw/zinc/14/84/50/374148450.db2.gz DBKRTGIUXYTPJW-DOTOQJQBSA-N 2 2 288.435 3.064 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC000309415695 374183910 /nfs/dbraw/zinc/18/39/10/374183910.db2.gz YTWXNEWMXASXQQ-UHFFFAOYSA-N 2 2 260.834 3.221 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC000309415695 374183919 /nfs/dbraw/zinc/18/39/19/374183919.db2.gz YTWXNEWMXASXQQ-UHFFFAOYSA-N 2 2 260.834 3.221 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000182035029 374207155 /nfs/dbraw/zinc/20/71/55/374207155.db2.gz IZOKZEPDWSCUKL-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000182035029 374207162 /nfs/dbraw/zinc/20/71/62/374207162.db2.gz IZOKZEPDWSCUKL-IEBWSBKVSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000182093375 374219077 /nfs/dbraw/zinc/21/90/77/374219077.db2.gz VPROZCKAZIHPKI-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000182093375 374219081 /nfs/dbraw/zinc/21/90/81/374219081.db2.gz VPROZCKAZIHPKI-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP c1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000317292135 374338162 /nfs/dbraw/zinc/33/81/62/374338162.db2.gz QORXYPNLUFTWIL-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000317292135 374338171 /nfs/dbraw/zinc/33/81/71/374338171.db2.gz QORXYPNLUFTWIL-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522749 374817962 /nfs/dbraw/zinc/81/79/62/374817962.db2.gz XZLIANPPNJXNOQ-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000334522749 374817965 /nfs/dbraw/zinc/81/79/65/374817965.db2.gz XZLIANPPNJXNOQ-QWHCGFSZSA-N 2 2 283.366 3.415 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000334582249 374882820 /nfs/dbraw/zinc/88/28/20/374882820.db2.gz FTPNKFXSUOLOAH-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000334582249 374882826 /nfs/dbraw/zinc/88/28/26/374882826.db2.gz FTPNKFXSUOLOAH-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000334582249 374882828 /nfs/dbraw/zinc/88/28/28/374882828.db2.gz FTPNKFXSUOLOAH-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000334582249 374882836 /nfs/dbraw/zinc/88/28/36/374882836.db2.gz FTPNKFXSUOLOAH-ZIAGYGMSSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)C[N@@H+]1C1CC1 ZINC000463698256 374847622 /nfs/dbraw/zinc/84/76/22/374847622.db2.gz LMCBVCXFHJPRAH-GDBMZVCRSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)C[N@H+]1C1CC1 ZINC000463698256 374847624 /nfs/dbraw/zinc/84/76/24/374847624.db2.gz LMCBVCXFHJPRAH-GDBMZVCRSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187861021 375108108 /nfs/dbraw/zinc/10/81/08/375108108.db2.gz BDGNTGJCZQEWEC-RHSMWYFYSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000188125285 375161848 /nfs/dbraw/zinc/16/18/48/375161848.db2.gz LVFGRYXUJXQFQY-MJEQTWJJSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000188125285 375161854 /nfs/dbraw/zinc/16/18/54/375161854.db2.gz LVFGRYXUJXQFQY-MJEQTWJJSA-N 2 2 276.399 3.492 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474623170 375121180 /nfs/dbraw/zinc/12/11/80/375121180.db2.gz ZSYFMDUQTSRXOC-SDDRHHMPSA-N 2 2 286.872 3.435 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474623170 375121196 /nfs/dbraw/zinc/12/11/96/375121196.db2.gz ZSYFMDUQTSRXOC-SDDRHHMPSA-N 2 2 286.872 3.435 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000484302677 375186212 /nfs/dbraw/zinc/18/62/12/375186212.db2.gz QNVUMFQYOZFFDY-YXWQFLTLSA-N 2 2 252.446 3.416 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000484302677 375186222 /nfs/dbraw/zinc/18/62/22/375186222.db2.gz QNVUMFQYOZFFDY-YXWQFLTLSA-N 2 2 252.446 3.416 20 0 CGADLP COc1cccc2c(N3CC[N@H+](C)[C@@H](C(C)C)C3)cc[nH+]c12 ZINC000487137577 375201635 /nfs/dbraw/zinc/20/16/35/375201635.db2.gz LUIBYMDKDUJZOZ-MRXNPFEDSA-N 2 2 299.418 3.020 20 0 CGADLP COc1cccc2c(N3CC[N@@H+](C)[C@@H](C(C)C)C3)cc[nH+]c12 ZINC000487137577 375201647 /nfs/dbraw/zinc/20/16/47/375201647.db2.gz LUIBYMDKDUJZOZ-MRXNPFEDSA-N 2 2 299.418 3.020 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487319267 375228853 /nfs/dbraw/zinc/22/88/53/375228853.db2.gz MGIPOSPIBBNXLG-UXHZXRBQSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000487319267 375228858 /nfs/dbraw/zinc/22/88/58/375228858.db2.gz MGIPOSPIBBNXLG-UXHZXRBQSA-N 2 2 295.430 3.205 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000188881449 375286916 /nfs/dbraw/zinc/28/69/16/375286916.db2.gz OHMYGPFPFUYPFV-MRXNPFEDSA-N 2 2 293.370 3.256 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000488435484 375308856 /nfs/dbraw/zinc/30/88/56/375308856.db2.gz AAFBFDJSHHSHIY-FHLIZLRMSA-N 2 2 272.436 3.069 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000488435484 375308862 /nfs/dbraw/zinc/30/88/62/375308862.db2.gz AAFBFDJSHHSHIY-FHLIZLRMSA-N 2 2 272.436 3.069 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@@H+]1C1CC1 ZINC000188720097 375258591 /nfs/dbraw/zinc/25/85/91/375258591.db2.gz YCLFETDJIGHESZ-GUYCJALGSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@H+]1C1CC1 ZINC000188720097 375258597 /nfs/dbraw/zinc/25/85/97/375258597.db2.gz YCLFETDJIGHESZ-GUYCJALGSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495016076 375495674 /nfs/dbraw/zinc/49/56/74/375495674.db2.gz GXFNHMYISPMXGZ-OWCLPIDISA-N 2 2 291.439 3.184 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495016076 375495677 /nfs/dbraw/zinc/49/56/77/375495677.db2.gz GXFNHMYISPMXGZ-OWCLPIDISA-N 2 2 291.439 3.184 20 0 CGADLP FC(F)(F)CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000191239490 375600518 /nfs/dbraw/zinc/60/05/18/375600518.db2.gz HVSMTZSVRZHOQM-UHFFFAOYSA-N 2 2 297.324 3.338 20 0 CGADLP FC(F)(F)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000191239490 375600523 /nfs/dbraw/zinc/60/05/23/375600523.db2.gz HVSMTZSVRZHOQM-UHFFFAOYSA-N 2 2 297.324 3.338 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057906 375695012 /nfs/dbraw/zinc/69/50/12/375695012.db2.gz YDCHFHIKUBQBLM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057906 375695018 /nfs/dbraw/zinc/69/50/18/375695018.db2.gz YDCHFHIKUBQBLM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057906 375695023 /nfs/dbraw/zinc/69/50/23/375695023.db2.gz YDCHFHIKUBQBLM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057906 375695029 /nfs/dbraw/zinc/69/50/29/375695029.db2.gz YDCHFHIKUBQBLM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCC1 ZINC000192655019 375775822 /nfs/dbraw/zinc/77/58/22/375775822.db2.gz TZHJYENBEIAQNA-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000192925418 375803294 /nfs/dbraw/zinc/80/32/94/375803294.db2.gz SANKSHIVYZRNOH-LJQANCHMSA-N 2 2 295.430 3.247 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000336541479 375818482 /nfs/dbraw/zinc/81/84/82/375818482.db2.gz ODZBEWAZNGMZJQ-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000336541479 375818488 /nfs/dbraw/zinc/81/84/88/375818488.db2.gz ODZBEWAZNGMZJQ-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1Cl ZINC000336564551 375834528 /nfs/dbraw/zinc/83/45/28/375834528.db2.gz KQGHJZJZFWTQKB-ONGXEEELSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+]CCCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336818435 375973917 /nfs/dbraw/zinc/97/39/17/375973917.db2.gz VNMWPORHYQGMDY-ZDUSSCGKSA-N 2 2 261.344 3.273 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336720484 375919566 /nfs/dbraw/zinc/91/95/66/375919566.db2.gz TXBCCAPEDZGDRR-IIDMSEBBSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000336720484 375919570 /nfs/dbraw/zinc/91/95/70/375919570.db2.gz TXBCCAPEDZGDRR-IIDMSEBBSA-N 2 2 272.436 3.428 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800926 375949554 /nfs/dbraw/zinc/94/95/54/375949554.db2.gz OFCWQSDMNWNQIC-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800926 375949560 /nfs/dbraw/zinc/94/95/60/375949560.db2.gz OFCWQSDMNWNQIC-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800926 375949563 /nfs/dbraw/zinc/94/95/63/375949563.db2.gz OFCWQSDMNWNQIC-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C[C@H]1C ZINC000336800926 375949565 /nfs/dbraw/zinc/94/95/65/375949565.db2.gz OFCWQSDMNWNQIC-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000336832452 375995592 /nfs/dbraw/zinc/99/55/92/375995592.db2.gz FIHIXENJGZJSDB-QCSYZSNVSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000336832452 375995598 /nfs/dbraw/zinc/99/55/98/375995598.db2.gz FIHIXENJGZJSDB-QCSYZSNVSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cscn1 ZINC000535777779 376058349 /nfs/dbraw/zinc/05/83/49/376058349.db2.gz DMMIVXXKFAVSKO-AAEUAGOBSA-N 2 2 269.458 3.160 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000536875854 376139033 /nfs/dbraw/zinc/13/90/33/376139033.db2.gz JHCUNVRDLXZWJF-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000536875854 376139037 /nfs/dbraw/zinc/13/90/37/376139037.db2.gz JHCUNVRDLXZWJF-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877657 376142116 /nfs/dbraw/zinc/14/21/16/376142116.db2.gz QBVHUNMOVPTZMJ-RISCZKNCSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000536877657 376142122 /nfs/dbraw/zinc/14/21/22/376142122.db2.gz QBVHUNMOVPTZMJ-RISCZKNCSA-N 2 2 298.833 3.296 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000221149227 376212751 /nfs/dbraw/zinc/21/27/51/376212751.db2.gz OVFBTIKLYVEAIJ-YMAMQOFZSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000221149227 376212755 /nfs/dbraw/zinc/21/27/55/376212755.db2.gz OVFBTIKLYVEAIJ-YMAMQOFZSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000337326014 376212807 /nfs/dbraw/zinc/21/28/07/376212807.db2.gz CFOZKAKQPKBEOE-FUHWJXTLSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116826 376221737 /nfs/dbraw/zinc/22/17/37/376221737.db2.gz OKNNLQDZKBBWBO-CXAGYDPISA-N 2 2 276.399 3.208 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116826 376221745 /nfs/dbraw/zinc/22/17/45/376221745.db2.gz OKNNLQDZKBBWBO-CXAGYDPISA-N 2 2 276.399 3.208 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000338004935 376253532 /nfs/dbraw/zinc/25/35/32/376253532.db2.gz YRXCQBPLFAIACE-TXCZRRACSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@H+]1CCCC[C@H]1C ZINC000338004935 376253536 /nfs/dbraw/zinc/25/35/36/376253536.db2.gz YRXCQBPLFAIACE-TXCZRRACSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000223512410 376255637 /nfs/dbraw/zinc/25/56/37/376255637.db2.gz SUPBWHTWTUXUPY-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC2(C)C)n1-c1ccccc1 ZINC000227761232 376408981 /nfs/dbraw/zinc/40/89/81/376408981.db2.gz LCUWJQAARPVMEX-AWEZNQCLSA-N 2 2 269.392 3.316 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226710676 376370450 /nfs/dbraw/zinc/37/04/50/376370450.db2.gz KFIDERKSGAXZPY-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226710676 376370452 /nfs/dbraw/zinc/37/04/52/376370452.db2.gz KFIDERKSGAXZPY-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000540370603 376371702 /nfs/dbraw/zinc/37/17/02/376371702.db2.gz VGXFNWUKBUOCQD-HIFRSBDPSA-N 2 2 294.414 3.359 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000540370603 376371705 /nfs/dbraw/zinc/37/17/05/376371705.db2.gz VGXFNWUKBUOCQD-HIFRSBDPSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000541207066 376425956 /nfs/dbraw/zinc/42/59/56/376425956.db2.gz PLZGPACXJPIVIZ-KTAKPFMOSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000541207066 376425962 /nfs/dbraw/zinc/42/59/62/376425962.db2.gz PLZGPACXJPIVIZ-KTAKPFMOSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753362 376394481 /nfs/dbraw/zinc/39/44/81/376394481.db2.gz NZXMIFICABRSNX-RHSMWYFYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753362 376394483 /nfs/dbraw/zinc/39/44/83/376394483.db2.gz NZXMIFICABRSNX-RHSMWYFYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541535564 376456309 /nfs/dbraw/zinc/45/63/09/376456309.db2.gz FQLIWQGXDGUOMS-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541535564 376456319 /nfs/dbraw/zinc/45/63/19/376456319.db2.gz FQLIWQGXDGUOMS-IXDOHACOSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000230998867 376551170 /nfs/dbraw/zinc/55/11/70/376551170.db2.gz VTAZFHRYVTUIGX-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000235439909 376641596 /nfs/dbraw/zinc/64/15/96/376641596.db2.gz AVDCWXVZKSFJTQ-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000235439909 376641605 /nfs/dbraw/zinc/64/16/05/376641605.db2.gz AVDCWXVZKSFJTQ-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235516206 376644322 /nfs/dbraw/zinc/64/43/22/376644322.db2.gz UYKZAUQRXNCKSG-GXFFZTMASA-N 2 2 272.314 3.108 20 0 CGADLP c1[nH]cc(C2CC[NH+]([C@@H]3C=CCCCCC3)CC2)[nH+]1 ZINC000339047308 376645584 /nfs/dbraw/zinc/64/55/84/376645584.db2.gz WLRRGQMSASQPQY-OAHLLOKOSA-N 2 2 259.397 3.478 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC[NH+]2CCCCC2)C1 ZINC000235666420 376646602 /nfs/dbraw/zinc/64/66/02/376646602.db2.gz BYKUUMVTAJFVBY-ZBFHGGJFSA-N 2 2 250.430 3.054 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073337 376662464 /nfs/dbraw/zinc/66/24/64/376662464.db2.gz BTNZXNTYJBUALI-WBVHZDCISA-N 2 2 297.402 3.058 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073337 376662470 /nfs/dbraw/zinc/66/24/70/376662470.db2.gz BTNZXNTYJBUALI-WBVHZDCISA-N 2 2 297.402 3.058 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000543995202 376691926 /nfs/dbraw/zinc/69/19/26/376691926.db2.gz YOSMDIAPFGMEPM-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000543995202 376691931 /nfs/dbraw/zinc/69/19/31/376691931.db2.gz YOSMDIAPFGMEPM-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000237515909 376747512 /nfs/dbraw/zinc/74/75/12/376747512.db2.gz WPRLJVCPAOAIGA-XLIONFOSSA-N 2 2 294.442 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000237515909 376747522 /nfs/dbraw/zinc/74/75/22/376747522.db2.gz WPRLJVCPAOAIGA-XLIONFOSSA-N 2 2 294.442 3.339 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155740865 542125109 /nfs/dbraw/zinc/12/51/09/542125109.db2.gz KYHLFSKITLYVJV-CYBMUJFWSA-N 2 2 293.823 3.363 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000157645058 542135261 /nfs/dbraw/zinc/13/52/61/542135261.db2.gz KFQXUCPGYDPOKO-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000157645058 542135265 /nfs/dbraw/zinc/13/52/65/542135265.db2.gz KFQXUCPGYDPOKO-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000556869496 376893954 /nfs/dbraw/zinc/89/39/54/376893954.db2.gz IYTRDJKLSAMFAJ-KGLIPLIRSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000556869496 376893961 /nfs/dbraw/zinc/89/39/61/376893961.db2.gz IYTRDJKLSAMFAJ-KGLIPLIRSA-N 2 2 296.405 3.217 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCCC23CCCC3)[nH+]c2n1CCCC2 ZINC000340175976 376934936 /nfs/dbraw/zinc/93/49/36/376934936.db2.gz SOAWJVAYSSXHRH-MRXNPFEDSA-N 2 2 287.451 3.464 20 0 CGADLP Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c[nH+]1 ZINC000245927185 376936768 /nfs/dbraw/zinc/93/67/68/376936768.db2.gz SWYSXWPWUBXHJF-RDTXWAMCSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c[nH+]1 ZINC000245927185 376936772 /nfs/dbraw/zinc/93/67/72/376936772.db2.gz SWYSXWPWUBXHJF-RDTXWAMCSA-N 2 2 296.418 3.108 20 0 CGADLP CC1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000558622663 377026596 /nfs/dbraw/zinc/02/65/96/377026596.db2.gz HNUNBTCIUWFYDF-CQSZACIVSA-N 2 2 273.424 3.199 20 0 CGADLP CC1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000558622663 377026603 /nfs/dbraw/zinc/02/66/03/377026603.db2.gz HNUNBTCIUWFYDF-CQSZACIVSA-N 2 2 273.424 3.199 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246429963 377027550 /nfs/dbraw/zinc/02/75/50/377027550.db2.gz SYEVQDBBRDCHSG-OLZOCXBDSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246429963 377027560 /nfs/dbraw/zinc/02/75/60/377027560.db2.gz SYEVQDBBRDCHSG-OLZOCXBDSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558680849 377031387 /nfs/dbraw/zinc/03/13/87/377031387.db2.gz PXOFAPWUZCSSAI-RSRPTUBKSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558680849 377031391 /nfs/dbraw/zinc/03/13/91/377031391.db2.gz PXOFAPWUZCSSAI-RSRPTUBKSA-N 2 2 284.447 3.285 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000558241041 376988031 /nfs/dbraw/zinc/98/80/31/376988031.db2.gz MCHDECXATIJIQK-QRVBRYPASA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000558241041 376988041 /nfs/dbraw/zinc/98/80/41/376988041.db2.gz MCHDECXATIJIQK-QRVBRYPASA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000246311431 377008583 /nfs/dbraw/zinc/00/85/83/377008583.db2.gz DTCCDTNPRZJDNQ-RLFYNMQTSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccoc1 ZINC000246311431 377008586 /nfs/dbraw/zinc/00/85/86/377008586.db2.gz DTCCDTNPRZJDNQ-RLFYNMQTSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340527463 377124557 /nfs/dbraw/zinc/12/45/57/377124557.db2.gz SZEFLMMMZSHZNU-RCBQFDQVSA-N 2 2 273.355 3.414 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1F ZINC000340480583 377090958 /nfs/dbraw/zinc/09/09/58/377090958.db2.gz SITKDVUPGHDDQA-DOMZBBRYSA-N 2 2 281.419 3.238 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000340492949 377098933 /nfs/dbraw/zinc/09/89/33/377098933.db2.gz XILACDVQHZWQRQ-UVBJJODRSA-N 2 2 298.352 3.066 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000340492949 377098941 /nfs/dbraw/zinc/09/89/41/377098941.db2.gz XILACDVQHZWQRQ-UVBJJODRSA-N 2 2 298.352 3.066 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248122562 377269739 /nfs/dbraw/zinc/26/97/39/377269739.db2.gz UPCIYFKHZVWPNJ-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248122562 377269750 /nfs/dbraw/zinc/26/97/50/377269750.db2.gz UPCIYFKHZVWPNJ-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248122562 377269761 /nfs/dbraw/zinc/26/97/61/377269761.db2.gz UPCIYFKHZVWPNJ-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248122562 377269769 /nfs/dbraw/zinc/26/97/69/377269769.db2.gz UPCIYFKHZVWPNJ-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517639 377321089 /nfs/dbraw/zinc/32/10/89/377321089.db2.gz CJDRDEAJOQKORW-HJOIGYKYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000562517639 377321101 /nfs/dbraw/zinc/32/11/01/377321101.db2.gz CJDRDEAJOQKORW-HJOIGYKYSA-N 2 2 294.483 3.188 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC000562104032 377277732 /nfs/dbraw/zinc/27/77/32/377277732.db2.gz YHTDANSCDLXKIM-NVXWUHKLSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)CC2 ZINC000562104032 377277740 /nfs/dbraw/zinc/27/77/40/377277740.db2.gz YHTDANSCDLXKIM-NVXWUHKLSA-N 2 2 281.403 3.398 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562880021 377368417 /nfs/dbraw/zinc/36/84/17/377368417.db2.gz ITZCWANGUCQSPS-KBPBESRZSA-N 2 2 261.413 3.134 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C(C)C)C1CC1 ZINC000562962594 377381471 /nfs/dbraw/zinc/38/14/71/377381471.db2.gz AODZJXUZSFWIHG-IRXDYDNUSA-N 2 2 260.425 3.273 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC1(C)C ZINC000563360744 377448538 /nfs/dbraw/zinc/44/85/38/377448538.db2.gz FGCAKHVPKUTHIS-KBPBESRZSA-N 2 2 261.413 3.134 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)cc[nH+]1 ZINC000563461102 377469609 /nfs/dbraw/zinc/46/96/09/377469609.db2.gz MDLWEQRRLHQMFT-DOTOQJQBSA-N 2 2 272.392 3.424 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)cc[nH+]1 ZINC000563461102 377469614 /nfs/dbraw/zinc/46/96/14/377469614.db2.gz MDLWEQRRLHQMFT-DOTOQJQBSA-N 2 2 272.392 3.424 20 0 CGADLP CC[NH+]1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000341280020 377485918 /nfs/dbraw/zinc/48/59/18/377485918.db2.gz IBTNOLUSVDPNJN-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP CC[NH+](CC)Cc1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000341346628 377520669 /nfs/dbraw/zinc/52/06/69/377520669.db2.gz FIGKDUSDRDEHET-UHFFFAOYSA-N 2 2 286.423 3.182 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313248515 249090066 /nfs/dbraw/zinc/09/00/66/249090066.db2.gz BQEGCGPQIMLVSI-UHFFFAOYSA-N 2 2 283.375 3.061 20 0 CGADLP CSCCC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360953732 249112935 /nfs/dbraw/zinc/11/29/35/249112935.db2.gz BQWAFILVYONEIW-QGZVFWFLSA-N 2 2 294.508 3.486 20 0 CGADLP CSCCC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360953732 249112939 /nfs/dbraw/zinc/11/29/39/249112939.db2.gz BQWAFILVYONEIW-QGZVFWFLSA-N 2 2 294.508 3.486 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCO1 ZINC000314876871 249096345 /nfs/dbraw/zinc/09/63/45/249096345.db2.gz GNHGPLYDNLHGMF-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP c1[nH]c2ccc(NCc3ccc(N4CCCC4)[nH+]c3)cc2[nH+]1 ZINC000573842231 377583436 /nfs/dbraw/zinc/58/34/36/377583436.db2.gz UPLDNQDERGCYGM-UHFFFAOYSA-N 2 2 293.374 3.170 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000517369899 249263388 /nfs/dbraw/zinc/26/33/88/249263388.db2.gz CFBAQFFTHHKWOT-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000517369899 249263391 /nfs/dbraw/zinc/26/33/91/249263391.db2.gz CFBAQFFTHHKWOT-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000518979723 249289865 /nfs/dbraw/zinc/28/98/65/249289865.db2.gz RGGGMDTZOBEFLX-QZTJIDSGSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000518979723 249289868 /nfs/dbraw/zinc/28/98/68/249289868.db2.gz RGGGMDTZOBEFLX-QZTJIDSGSA-N 2 2 288.435 3.214 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574691761 377695116 /nfs/dbraw/zinc/69/51/16/377695116.db2.gz PRVOIMSOTXPPGI-IFOCYFHOSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000574691761 377695120 /nfs/dbraw/zinc/69/51/20/377695120.db2.gz PRVOIMSOTXPPGI-IFOCYFHOSA-N 2 2 288.410 3.445 20 0 CGADLP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000342680083 377730627 /nfs/dbraw/zinc/73/06/27/377730627.db2.gz ZZPICOIZFAFSPJ-DLBZAZTESA-N 2 2 299.418 3.109 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C(C1CC1)C1CC1 ZINC000574802199 377709713 /nfs/dbraw/zinc/70/97/13/377709713.db2.gz BDCMQUCEMOYBIE-INIZCTEOSA-N 2 2 258.409 3.027 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735877 377764821 /nfs/dbraw/zinc/76/48/21/377764821.db2.gz NIOBRGBVYPKNGT-YWPYICTPSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735877 377764826 /nfs/dbraw/zinc/76/48/26/377764826.db2.gz NIOBRGBVYPKNGT-YWPYICTPSA-N 2 2 298.377 3.421 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC000342782324 377789038 /nfs/dbraw/zinc/78/90/38/377789038.db2.gz HLUJAFRGEWNCDV-VXGBXAGGSA-N 2 2 267.804 3.328 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261681334 377839328 /nfs/dbraw/zinc/83/93/28/377839328.db2.gz IKKHITHVUNSLMR-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261681334 377839334 /nfs/dbraw/zinc/83/93/34/377839334.db2.gz IKKHITHVUNSLMR-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009215 377877617 /nfs/dbraw/zinc/87/76/17/377877617.db2.gz MCUQPJPZYUNNPH-DLBZAZTESA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009215 377877627 /nfs/dbraw/zinc/87/76/27/377877627.db2.gz MCUQPJPZYUNNPH-DLBZAZTESA-N 2 2 294.389 3.004 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000262098505 377885949 /nfs/dbraw/zinc/88/59/49/377885949.db2.gz VIRFIMPZWQHEGZ-RDTXWAMCSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000262098505 377885957 /nfs/dbraw/zinc/88/59/57/377885957.db2.gz VIRFIMPZWQHEGZ-RDTXWAMCSA-N 2 2 296.414 3.141 20 0 CGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000262141895 377888268 /nfs/dbraw/zinc/88/82/68/377888268.db2.gz MNJYQFPXESGPJF-VYDXJSESSA-N 2 2 298.430 3.257 20 0 CGADLP [NH3+][C@H]1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000262388411 377896012 /nfs/dbraw/zinc/89/60/12/377896012.db2.gz ZLXVUJCQXFJIQW-DLBZAZTESA-N 2 2 294.402 3.239 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000261830301 377859780 /nfs/dbraw/zinc/85/97/80/377859780.db2.gz USYWMBLDAHRZMN-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000261830301 377859784 /nfs/dbraw/zinc/85/97/84/377859784.db2.gz USYWMBLDAHRZMN-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158845 377916784 /nfs/dbraw/zinc/91/67/84/377916784.db2.gz JFRIHLBEIRZQII-NVXWUHKLSA-N 2 2 272.436 3.038 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000343158845 377916790 /nfs/dbraw/zinc/91/67/90/377916790.db2.gz JFRIHLBEIRZQII-NVXWUHKLSA-N 2 2 272.436 3.038 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000343282223 377946474 /nfs/dbraw/zinc/94/64/74/377946474.db2.gz IGSTVBHJXZFEPB-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000343282223 377946478 /nfs/dbraw/zinc/94/64/78/377946478.db2.gz IGSTVBHJXZFEPB-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C(C)(C)C ZINC000343515714 378003888 /nfs/dbraw/zinc/00/38/88/378003888.db2.gz TWBRJHIJFUWYMB-HNNXBMFYSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000578913703 378112387 /nfs/dbraw/zinc/11/23/87/378112387.db2.gz ZLHUAYUFTPRYRS-CBVHJVASSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000578913703 378112389 /nfs/dbraw/zinc/11/23/89/378112389.db2.gz ZLHUAYUFTPRYRS-CBVHJVASSA-N 2 2 284.447 3.395 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866334 378117304 /nfs/dbraw/zinc/11/73/04/378117304.db2.gz MUGFJFDNVBMEGP-KZULUSFZSA-N 2 2 285.435 3.215 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866334 378117309 /nfs/dbraw/zinc/11/73/09/378117309.db2.gz MUGFJFDNVBMEGP-KZULUSFZSA-N 2 2 285.435 3.215 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1c[nH+]ccc1N ZINC000578994621 378119880 /nfs/dbraw/zinc/11/98/80/378119880.db2.gz AUYWYCZIJJFFPZ-LLVKDONJSA-N 2 2 285.366 3.361 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000579665704 378181484 /nfs/dbraw/zinc/18/14/84/378181484.db2.gz VANVTFUSCQESTC-CJNGLKHVSA-N 2 2 285.366 3.036 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000579665704 378181489 /nfs/dbraw/zinc/18/14/89/378181489.db2.gz VANVTFUSCQESTC-CJNGLKHVSA-N 2 2 285.366 3.036 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000583687544 378339978 /nfs/dbraw/zinc/33/99/78/378339978.db2.gz PUWGPHSGDDUXET-GOEBONIOSA-N 2 2 288.439 3.001 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270845553 378404624 /nfs/dbraw/zinc/40/46/24/378404624.db2.gz GTKOQDMAIMVQNJ-GOSISDBHSA-N 2 2 283.419 3.228 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270845553 378404629 /nfs/dbraw/zinc/40/46/29/378404629.db2.gz GTKOQDMAIMVQNJ-GOSISDBHSA-N 2 2 283.419 3.228 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000270854912 378405787 /nfs/dbraw/zinc/40/57/87/378405787.db2.gz IXPOBZFGCZLJFU-MAUKXSAKSA-N 2 2 283.419 3.145 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000270854912 378405790 /nfs/dbraw/zinc/40/57/90/378405790.db2.gz IXPOBZFGCZLJFU-MAUKXSAKSA-N 2 2 283.419 3.145 20 0 CGADLP c1ccc2[nH+]c(N3CCC[N@@H+](C4CCCC4)CC3)[nH]c2c1 ZINC000270587357 378371885 /nfs/dbraw/zinc/37/18/85/378371885.db2.gz RTLDCHBSCXSWFO-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP c1ccc2[nH+]c(N3CCC[N@H+](C4CCCC4)CC3)[nH]c2c1 ZINC000270587357 378371887 /nfs/dbraw/zinc/37/18/87/378371887.db2.gz RTLDCHBSCXSWFO-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000584407262 378382415 /nfs/dbraw/zinc/38/24/15/378382415.db2.gz FQZNVSVJBUPUAH-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000584407262 378382419 /nfs/dbraw/zinc/38/24/19/378382419.db2.gz FQZNVSVJBUPUAH-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000271184217 378475333 /nfs/dbraw/zinc/47/53/33/378475333.db2.gz IZXYFYKELIVIBA-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000271184217 378475340 /nfs/dbraw/zinc/47/53/40/378475340.db2.gz IZXYFYKELIVIBA-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271184217 378475346 /nfs/dbraw/zinc/47/53/46/378475346.db2.gz IZXYFYKELIVIBA-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271184217 378475351 /nfs/dbraw/zinc/47/53/51/378475351.db2.gz IZXYFYKELIVIBA-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCC4(CCC4)C3)c2)c[nH+]1 ZINC000346174124 378489983 /nfs/dbraw/zinc/48/99/83/378489983.db2.gz NMUKFVWDNUCEEP-UHFFFAOYSA-N 2 2 273.405 3.310 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCC4(CCC4)C3)c2)c[nH+]1 ZINC000346174124 378489987 /nfs/dbraw/zinc/48/99/87/378489987.db2.gz NMUKFVWDNUCEEP-UHFFFAOYSA-N 2 2 273.405 3.310 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@@H+]1C ZINC000346329470 378546656 /nfs/dbraw/zinc/54/66/56/378546656.db2.gz MZDRSDIFJXKXKS-VWLISTAJSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@H+]1C ZINC000346329470 378546659 /nfs/dbraw/zinc/54/66/59/378546659.db2.gz MZDRSDIFJXKXKS-VWLISTAJSA-N 2 2 276.399 3.144 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000346300728 378536989 /nfs/dbraw/zinc/53/69/89/378536989.db2.gz CCSWGXSICYQAHV-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000346300728 378536991 /nfs/dbraw/zinc/53/69/91/378536991.db2.gz CCSWGXSICYQAHV-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Fc1cccc(CCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000272301825 378608233 /nfs/dbraw/zinc/60/82/33/378608233.db2.gz IWBOWGVUUBWRNG-UHFFFAOYSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1scc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000637987668 378657959 /nfs/dbraw/zinc/65/79/59/378657959.db2.gz RLHALZPHWGGXCB-UHFFFAOYSA-N 2 2 275.421 3.468 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664472 378667773 /nfs/dbraw/zinc/66/77/73/378667773.db2.gz ZEUSKLFUFWPOIM-BFYDXBDKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664472 378667777 /nfs/dbraw/zinc/66/77/77/378667777.db2.gz ZEUSKLFUFWPOIM-BFYDXBDKSA-N 2 2 272.436 3.428 20 0 CGADLP Fc1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)s2)c1 ZINC000346682427 378675062 /nfs/dbraw/zinc/67/50/62/378675062.db2.gz DUJKLHJVPYDEGB-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Fc1cccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)s2)c1 ZINC000346682427 378675071 /nfs/dbraw/zinc/67/50/71/378675071.db2.gz DUJKLHJVPYDEGB-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000346620982 378649103 /nfs/dbraw/zinc/64/91/03/378649103.db2.gz RWVILXQEROSMPB-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cnc([C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)s1 ZINC000347943863 378735541 /nfs/dbraw/zinc/73/55/41/378735541.db2.gz BNRMKLGXMFZAIP-HUUCEWRRSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1cnc([C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)s1 ZINC000347943863 378735549 /nfs/dbraw/zinc/73/55/49/378735549.db2.gz BNRMKLGXMFZAIP-HUUCEWRRSA-N 2 2 293.480 3.367 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110751 378703325 /nfs/dbraw/zinc/70/33/25/378703325.db2.gz PJBVIKIIFNFQQF-TZMCWYRMSA-N 2 2 297.393 3.324 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110751 378703329 /nfs/dbraw/zinc/70/33/29/378703329.db2.gz PJBVIKIIFNFQQF-TZMCWYRMSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110751 378703332 /nfs/dbraw/zinc/70/33/32/378703332.db2.gz PJBVIKIIFNFQQF-TZMCWYRMSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638110751 378703338 /nfs/dbraw/zinc/70/33/38/378703338.db2.gz PJBVIKIIFNFQQF-TZMCWYRMSA-N 2 2 297.393 3.324 20 0 CGADLP c1csc([C@@H](C[NH2+]CCC[C@H]2CCO2)[NH+]2CCCC2)c1 ZINC000638286474 378756242 /nfs/dbraw/zinc/75/62/42/378756242.db2.gz NFBHOQDGVJRAJF-LSDHHAIUSA-N 2 2 294.464 3.044 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000348049134 378766052 /nfs/dbraw/zinc/76/60/52/378766052.db2.gz UXWXJNGCUSCZSH-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000348089309 378785615 /nfs/dbraw/zinc/78/56/15/378785615.db2.gz UPVVITZLVKEJKS-DHMWGJHJSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C[N@H+]1C1CC1 ZINC000348089309 378785619 /nfs/dbraw/zinc/78/56/19/378785619.db2.gz UPVVITZLVKEJKS-DHMWGJHJSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)CCC2 ZINC000348104932 378795348 /nfs/dbraw/zinc/79/53/48/378795348.db2.gz FJCSLFVPNCDLAN-KKUMJFAQSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)[NH+](C)C)cc1 ZINC000638448996 378806902 /nfs/dbraw/zinc/80/69/02/378806902.db2.gz YSCMMQHVFFOPAB-BPUTZDHNSA-N 2 2 278.465 3.081 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000346836577 218030856 /nfs/dbraw/zinc/03/08/56/218030856.db2.gz UQFOYCKNXNIHRH-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000346836577 218030858 /nfs/dbraw/zinc/03/08/58/218030858.db2.gz UQFOYCKNXNIHRH-ZDUSSCGKSA-N 2 2 252.789 3.214 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)C(C)(C)C ZINC000638605258 378847960 /nfs/dbraw/zinc/84/79/60/378847960.db2.gz OOSXFGUCOQOAGL-OAHLLOKOSA-N 2 2 279.428 3.008 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000638620053 378853351 /nfs/dbraw/zinc/85/33/51/378853351.db2.gz XWHVFFAEZMDNKO-YDHLFZDLSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638620053 378853364 /nfs/dbraw/zinc/85/33/64/378853364.db2.gz XWHVFFAEZMDNKO-YDHLFZDLSA-N 2 2 282.378 3.140 20 0 CGADLP CCC[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348255727 378868291 /nfs/dbraw/zinc/86/82/91/378868291.db2.gz SYBNARDFJWKANB-ZDUSSCGKSA-N 2 2 281.469 3.359 20 0 CGADLP CCC[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348255727 378868301 /nfs/dbraw/zinc/86/83/01/378868301.db2.gz SYBNARDFJWKANB-ZDUSSCGKSA-N 2 2 281.469 3.359 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000347005919 218088266 /nfs/dbraw/zinc/08/82/66/218088266.db2.gz CHRVCNABPFVYSJ-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000347005919 218088268 /nfs/dbraw/zinc/08/82/68/218088268.db2.gz CHRVCNABPFVYSJ-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP CCC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000347023892 218097194 /nfs/dbraw/zinc/09/71/94/218097194.db2.gz QKPNWYHYEUQJHN-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000347023892 218097196 /nfs/dbraw/zinc/09/71/96/218097196.db2.gz QKPNWYHYEUQJHN-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CC[C@](C)(C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)OC ZINC000639051957 378986287 /nfs/dbraw/zinc/98/62/87/378986287.db2.gz AUQAINRHKTXGMF-HYVNUMGLSA-N 2 2 278.440 3.083 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347115136 218125738 /nfs/dbraw/zinc/12/57/38/218125738.db2.gz SUJRMRIWOKHNJU-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000347115136 218125739 /nfs/dbraw/zinc/12/57/39/218125739.db2.gz SUJRMRIWOKHNJU-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306988 379005674 /nfs/dbraw/zinc/00/56/74/379005674.db2.gz XZFQRCQGZVSEGW-HNNXBMFYSA-N 2 2 275.440 3.445 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306988 379005680 /nfs/dbraw/zinc/00/56/80/379005680.db2.gz XZFQRCQGZVSEGW-HNNXBMFYSA-N 2 2 275.440 3.445 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000347145634 218137923 /nfs/dbraw/zinc/13/79/23/218137923.db2.gz XZWHQGWUWFTJFN-QMMMGPOBSA-N 2 2 280.721 3.138 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000347145634 218137925 /nfs/dbraw/zinc/13/79/25/218137925.db2.gz XZWHQGWUWFTJFN-QMMMGPOBSA-N 2 2 280.721 3.138 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000370669532 379049644 /nfs/dbraw/zinc/04/96/44/379049644.db2.gz MNVSEKPMQKOVJS-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1csc3ccccc13)C2 ZINC000370730003 379062059 /nfs/dbraw/zinc/06/20/59/379062059.db2.gz LNMNRNOMGQPMIT-LBPRGKRZSA-N 2 2 283.400 3.272 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000370730003 379062069 /nfs/dbraw/zinc/06/20/69/379062069.db2.gz LNMNRNOMGQPMIT-LBPRGKRZSA-N 2 2 283.400 3.272 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CC=CCC1)Cc1ccco1 ZINC000348819618 379065535 /nfs/dbraw/zinc/06/55/35/379065535.db2.gz XNVUFJOMPLACSS-MRXNPFEDSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@@H]1CC=CCC1)Cc1ccco1 ZINC000348819618 379065541 /nfs/dbraw/zinc/06/55/41/379065541.db2.gz XNVUFJOMPLACSS-MRXNPFEDSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000348819618 379065545 /nfs/dbraw/zinc/06/55/45/379065545.db2.gz XNVUFJOMPLACSS-MRXNPFEDSA-N 2 2 276.424 3.390 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000348819618 379065551 /nfs/dbraw/zinc/06/55/51/379065551.db2.gz XNVUFJOMPLACSS-MRXNPFEDSA-N 2 2 276.424 3.390 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000373099618 379220502 /nfs/dbraw/zinc/22/05/02/379220502.db2.gz NUKPPZOEBSBDCW-LBPRGKRZSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000373099618 379220511 /nfs/dbraw/zinc/22/05/11/379220511.db2.gz NUKPPZOEBSBDCW-LBPRGKRZSA-N 2 2 291.345 3.078 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349351542 379242631 /nfs/dbraw/zinc/24/26/31/379242631.db2.gz QLJCFBWJRMFROG-GDBMZVCRSA-N 2 2 261.413 3.031 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1occc1C ZINC000349358114 379247030 /nfs/dbraw/zinc/24/70/30/379247030.db2.gz XLRBUASXIAIGBY-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1occc1C ZINC000349358114 379247041 /nfs/dbraw/zinc/24/70/41/379247041.db2.gz XLRBUASXIAIGBY-UHFFFAOYSA-N 2 2 252.402 3.142 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000373230774 379248522 /nfs/dbraw/zinc/24/85/22/379248522.db2.gz RAZFCBYMBCSFRE-HNNXBMFYSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000373230774 379248530 /nfs/dbraw/zinc/24/85/30/379248530.db2.gz RAZFCBYMBCSFRE-HNNXBMFYSA-N 2 2 294.402 3.281 20 0 CGADLP Cc1cc(C)c(/C=C/C[N@@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000639310618 379261132 /nfs/dbraw/zinc/26/11/32/379261132.db2.gz UPOKUGNZOPSZIW-VOTSOKGWSA-N 2 2 272.436 3.118 20 0 CGADLP Cc1cc(C)c(/C=C/C[N@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000639310618 379261140 /nfs/dbraw/zinc/26/11/40/379261140.db2.gz UPOKUGNZOPSZIW-VOTSOKGWSA-N 2 2 272.436 3.118 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C(C)C)nc1C ZINC000349412904 379272644 /nfs/dbraw/zinc/27/26/44/379272644.db2.gz ZCIANKLRLNCMKC-UHFFFAOYSA-N 2 2 292.471 3.080 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C(C)C)nc1C ZINC000349412904 379272661 /nfs/dbraw/zinc/27/26/61/379272661.db2.gz ZCIANKLRLNCMKC-UHFFFAOYSA-N 2 2 292.471 3.080 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583037 218279447 /nfs/dbraw/zinc/27/94/47/218279447.db2.gz IZDLDHQACSLNDH-OLZOCXBDSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347583037 218279448 /nfs/dbraw/zinc/27/94/48/218279448.db2.gz IZDLDHQACSLNDH-OLZOCXBDSA-N 2 2 281.469 3.215 20 0 CGADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C ZINC000278248957 379327673 /nfs/dbraw/zinc/32/76/73/379327673.db2.gz OWTMWYBEYZMFFI-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000639374333 379328573 /nfs/dbraw/zinc/32/85/73/379328573.db2.gz DYUYHGBRHQEZAK-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000278200144 379314736 /nfs/dbraw/zinc/31/47/36/379314736.db2.gz IVUBGZDHUBOYSF-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C ZINC000278200144 379314739 /nfs/dbraw/zinc/31/47/39/379314739.db2.gz IVUBGZDHUBOYSF-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP CCC(CC)C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347589743 218283496 /nfs/dbraw/zinc/28/34/96/218283496.db2.gz NYTUJTJDMHFGJN-UHFFFAOYSA-N 2 2 283.485 3.463 20 0 CGADLP CCC(CC)C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347589743 218283497 /nfs/dbraw/zinc/28/34/97/218283497.db2.gz NYTUJTJDMHFGJN-UHFFFAOYSA-N 2 2 283.485 3.463 20 0 CGADLP COc1cccc(CCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374206434 379392449 /nfs/dbraw/zinc/39/24/49/379392449.db2.gz DSLMYUQUPNPQRJ-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000347600719 218285739 /nfs/dbraw/zinc/28/57/39/218285739.db2.gz VYGWXVCDSDDYIO-CABCVRRESA-N 2 2 269.392 3.350 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000347600719 218285741 /nfs/dbraw/zinc/28/57/41/218285741.db2.gz VYGWXVCDSDDYIO-CABCVRRESA-N 2 2 269.392 3.350 20 0 CGADLP Clc1ccccc1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210208 379395477 /nfs/dbraw/zinc/39/54/77/379395477.db2.gz FPESXJMTCUREDF-UHFFFAOYSA-N 2 2 289.810 3.485 20 0 CGADLP Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000639595889 379499074 /nfs/dbraw/zinc/49/90/74/379499074.db2.gz QMESYIIQBBTXJB-OAHLLOKOSA-N 2 2 290.432 3.200 20 0 CGADLP COC[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000376365877 379544600 /nfs/dbraw/zinc/54/46/00/379544600.db2.gz GCHJVUATKLMPHG-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP COC[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000376365877 379544611 /nfs/dbraw/zinc/54/46/11/379544611.db2.gz GCHJVUATKLMPHG-KRWDZBQOSA-N 2 2 299.418 3.121 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000279808217 379520341 /nfs/dbraw/zinc/52/03/41/379520341.db2.gz WYJITNJCZFSIGH-YJBOKZPZSA-N 2 2 299.418 3.249 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C)o1 ZINC000377081409 379629910 /nfs/dbraw/zinc/62/99/10/379629910.db2.gz IOONMSAJNIWWET-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000280204213 379639659 /nfs/dbraw/zinc/63/96/59/379639659.db2.gz AMIXSHQYVJVWNG-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000280204213 379639670 /nfs/dbraw/zinc/63/96/70/379639670.db2.gz AMIXSHQYVJVWNG-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280204213 379639677 /nfs/dbraw/zinc/63/96/77/379639677.db2.gz AMIXSHQYVJVWNG-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000280204213 379639689 /nfs/dbraw/zinc/63/96/89/379639689.db2.gz AMIXSHQYVJVWNG-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280306376 379672414 /nfs/dbraw/zinc/67/24/14/379672414.db2.gz OMOSMHXUDAKQNL-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280306376 379672421 /nfs/dbraw/zinc/67/24/21/379672421.db2.gz OMOSMHXUDAKQNL-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc[nH+]1 ZINC000267238193 190314407 /nfs/dbraw/zinc/31/44/07/190314407.db2.gz RIJHTPLWXQVQOA-RDJZCZTQSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc[nH+]1 ZINC000267238193 190314408 /nfs/dbraw/zinc/31/44/08/190314408.db2.gz RIJHTPLWXQVQOA-RDJZCZTQSA-N 2 2 281.403 3.404 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543053 379729148 /nfs/dbraw/zinc/72/91/48/379729148.db2.gz SWIMBRGXCLGGSY-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543053 379729153 /nfs/dbraw/zinc/72/91/53/379729153.db2.gz SWIMBRGXCLGGSY-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543053 379729158 /nfs/dbraw/zinc/72/91/58/379729158.db2.gz SWIMBRGXCLGGSY-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543053 379729164 /nfs/dbraw/zinc/72/91/64/379729164.db2.gz SWIMBRGXCLGGSY-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267478081 190333341 /nfs/dbraw/zinc/33/33/41/190333341.db2.gz ZZSCJYGGNSBUBP-LLVKDONJSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267478081 190333342 /nfs/dbraw/zinc/33/33/42/190333342.db2.gz ZZSCJYGGNSBUBP-LLVKDONJSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544617 379850873 /nfs/dbraw/zinc/85/08/73/379850873.db2.gz BLJZZYLIFHROKJ-XKKXFUJGSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000352544617 379850879 /nfs/dbraw/zinc/85/08/79/379850879.db2.gz BLJZZYLIFHROKJ-XKKXFUJGSA-N 2 2 292.373 3.054 20 0 CGADLP COc1ccc([C@@H](C)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378436160 379824873 /nfs/dbraw/zinc/82/48/73/379824873.db2.gz BMMQAUHVFFUHMJ-AWEZNQCLSA-N 2 2 299.418 3.401 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC ZINC000352685606 379908972 /nfs/dbraw/zinc/90/89/72/379908972.db2.gz VFXBIAWPARUOMF-JQFCIGGWSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC ZINC000352685606 379908978 /nfs/dbraw/zinc/90/89/78/379908978.db2.gz VFXBIAWPARUOMF-JQFCIGGWSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000347798795 218361471 /nfs/dbraw/zinc/36/14/71/218361471.db2.gz PEXXRHXFGJTYJO-AWEZNQCLSA-N 2 2 292.423 3.033 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000352810381 379973910 /nfs/dbraw/zinc/97/39/10/379973910.db2.gz MRMDLVYUTARXKX-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000352810381 379973916 /nfs/dbraw/zinc/97/39/16/379973916.db2.gz MRMDLVYUTARXKX-ONGXEEELSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)s1 ZINC000399037099 379933503 /nfs/dbraw/zinc/93/35/03/379933503.db2.gz OPTIUBKXKWMCHO-KXUCPTDWSA-N 2 2 258.818 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000400530847 379950984 /nfs/dbraw/zinc/95/09/84/379950984.db2.gz RPXYETVUQVOJCD-WDMOLILDSA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)C[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347866386 218383121 /nfs/dbraw/zinc/38/31/21/218383121.db2.gz MZVJFXBHGZMTAD-AWEZNQCLSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)C[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347866386 218383122 /nfs/dbraw/zinc/38/31/22/218383122.db2.gz MZVJFXBHGZMTAD-AWEZNQCLSA-N 2 2 295.496 3.463 20 0 CGADLP CCC[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCOC1 ZINC000352838248 379993353 /nfs/dbraw/zinc/99/33/53/379993353.db2.gz JUVAHGUKBFMLOP-SFHVURJKSA-N 2 2 299.418 3.230 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871909 218385498 /nfs/dbraw/zinc/38/54/98/218385498.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871909 218385501 /nfs/dbraw/zinc/38/55/01/218385501.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871909 218385502 /nfs/dbraw/zinc/38/55/02/218385502.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C[C@H]1C ZINC000347871909 218385504 /nfs/dbraw/zinc/38/55/04/218385504.db2.gz TUOOCDNSJAECJS-AEFFLSMTSA-N 3 2 289.467 3.127 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000352900226 380027416 /nfs/dbraw/zinc/02/74/16/380027416.db2.gz JGVSCAKFMSNCRQ-BHYGNILZSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000352900226 380027419 /nfs/dbraw/zinc/02/74/19/380027419.db2.gz JGVSCAKFMSNCRQ-BHYGNILZSA-N 2 2 287.451 3.159 20 0 CGADLP CCC1([NH+]2CCCC2)CCN(c2cc[nH+]cc2F)CC1 ZINC000641682271 380045806 /nfs/dbraw/zinc/04/58/06/380045806.db2.gz LBYJHIDTLLZCEW-UHFFFAOYSA-N 2 2 277.387 3.066 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cn[nH]c1 ZINC000284064141 380121726 /nfs/dbraw/zinc/12/17/26/380121726.db2.gz KXARMQVBWKIDFM-KBPBESRZSA-N 2 2 286.423 3.190 20 0 CGADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000268201887 190385525 /nfs/dbraw/zinc/38/55/25/190385525.db2.gz GOZKVCGDEIWQCF-AWEZNQCLSA-N 2 2 284.407 3.020 20 0 CGADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000268201887 190385526 /nfs/dbraw/zinc/38/55/26/190385526.db2.gz GOZKVCGDEIWQCF-AWEZNQCLSA-N 2 2 284.407 3.020 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000353280918 380201973 /nfs/dbraw/zinc/20/19/73/380201973.db2.gz XCEZYUJXVSFONO-CXAGYDPISA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000353280918 380201977 /nfs/dbraw/zinc/20/19/77/380201977.db2.gz XCEZYUJXVSFONO-CXAGYDPISA-N 2 2 288.435 3.101 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC(C)(C)C[C@@H]1C ZINC000412032469 380155743 /nfs/dbraw/zinc/15/57/43/380155743.db2.gz CGMTVSZAZSHPKY-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC(C)(C)C[C@@H]1C ZINC000412032469 380155747 /nfs/dbraw/zinc/15/57/47/380155747.db2.gz CGMTVSZAZSHPKY-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412032469 380155753 /nfs/dbraw/zinc/15/57/53/380155753.db2.gz CGMTVSZAZSHPKY-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412032469 380155757 /nfs/dbraw/zinc/15/57/57/380155757.db2.gz CGMTVSZAZSHPKY-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643289046 380255485 /nfs/dbraw/zinc/25/54/85/380255485.db2.gz MFWJUWVKRRKVLR-HNNXBMFYSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643289046 380255490 /nfs/dbraw/zinc/25/54/90/380255490.db2.gz MFWJUWVKRRKVLR-HNNXBMFYSA-N 2 2 262.441 3.173 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000353994352 380268567 /nfs/dbraw/zinc/26/85/67/380268567.db2.gz AVIWSONIHJSOOX-NVXWUHKLSA-N 2 2 288.435 3.364 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000353994352 380268569 /nfs/dbraw/zinc/26/85/69/380268569.db2.gz AVIWSONIHJSOOX-NVXWUHKLSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000353931821 380242142 /nfs/dbraw/zinc/24/21/42/380242142.db2.gz KMPGLICZRVWWCQ-QLFBSQMISA-N 2 2 263.429 3.466 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000643500945 380320919 /nfs/dbraw/zinc/32/09/19/380320919.db2.gz KDZIWJJGHMSQRF-SWLSCSKDSA-N 2 2 268.351 3.148 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501291 380322027 /nfs/dbraw/zinc/32/20/27/380322027.db2.gz BRBPJZNXHCGHIB-NVXWUHKLSA-N 2 2 288.435 3.249 20 0 CGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501560 380322304 /nfs/dbraw/zinc/32/23/04/380322304.db2.gz KPMVGUSVPATEQD-WFASDCNBSA-N 2 2 294.826 3.285 20 0 CGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501559 380323203 /nfs/dbraw/zinc/32/32/03/380323203.db2.gz KPMVGUSVPATEQD-SWLSCSKDSA-N 2 2 294.826 3.285 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643501008 380323247 /nfs/dbraw/zinc/32/32/47/380323247.db2.gz OZGUKWYRTOFGHF-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCCC[NH2+]3)oc21 ZINC000643501643 380324436 /nfs/dbraw/zinc/32/44/36/380324436.db2.gz NBQUWJUPUJIYSJ-JSGCOSHPSA-N 2 2 288.391 3.234 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000643502959 380326351 /nfs/dbraw/zinc/32/63/51/380326351.db2.gz VZAIMWAKGXMBEB-GXSJLCMTSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH2+]C1CC1 ZINC000643506675 380328160 /nfs/dbraw/zinc/32/81/60/380328160.db2.gz FKGKJMPESTWVIX-SNVBAGLBSA-N 2 2 287.234 3.266 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507083 380330092 /nfs/dbraw/zinc/33/00/92/380330092.db2.gz RLOGNQDWFUYRPU-HNNXBMFYSA-N 2 2 298.352 3.498 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000195120420 284824438 /nfs/dbraw/zinc/82/44/38/284824438.db2.gz IXTOUPWZAALVKC-CGTJXYLNSA-N 2 2 290.451 3.084 20 0 CGADLP COc1ccc([C@@H](C)[N@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000414681566 380370902 /nfs/dbraw/zinc/37/09/02/380370902.db2.gz PKJUNWDFLWHFLC-CYBMUJFWSA-N 2 2 264.413 3.076 20 0 CGADLP COc1ccc([C@@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000414681566 380370908 /nfs/dbraw/zinc/37/09/08/380370908.db2.gz PKJUNWDFLWHFLC-CYBMUJFWSA-N 2 2 264.413 3.076 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414686892 380373010 /nfs/dbraw/zinc/37/30/10/380373010.db2.gz BRTRKNDNCGOQJF-AAEUAGOBSA-N 2 2 269.458 3.126 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414686892 380373017 /nfs/dbraw/zinc/37/30/17/380373017.db2.gz BRTRKNDNCGOQJF-AAEUAGOBSA-N 2 2 269.458 3.126 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414763672 380394107 /nfs/dbraw/zinc/39/41/07/380394107.db2.gz CWTXOPZUWOXOAP-RDTXWAMCSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414763672 380394113 /nfs/dbraw/zinc/39/41/13/380394113.db2.gz CWTXOPZUWOXOAP-RDTXWAMCSA-N 2 2 296.414 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000643537501 380354274 /nfs/dbraw/zinc/35/42/74/380354274.db2.gz KECXDXIBUIVKSV-HJIKLVIJSA-N 2 2 291.197 3.344 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)cc1 ZINC000643537175 380354520 /nfs/dbraw/zinc/35/45/20/380354520.db2.gz AFDSUPCABJONAI-KKUMJFAQSA-N 2 2 284.806 3.327 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C2CCCC2)o1 ZINC000643537864 380355911 /nfs/dbraw/zinc/35/59/11/380355911.db2.gz SMBAUXVTNBRIGK-DZKIICNBSA-N 2 2 280.387 3.109 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000354195086 380360435 /nfs/dbraw/zinc/36/04/35/380360435.db2.gz YRMVVSLHGUTKBR-DLBZAZTESA-N 2 2 299.418 3.167 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(C)cc2)s1 ZINC000414822606 380431480 /nfs/dbraw/zinc/43/14/80/380431480.db2.gz NGPMYKCCYLAXMG-UHFFFAOYSA-N 2 2 260.406 3.033 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822272 380431927 /nfs/dbraw/zinc/43/19/27/380431927.db2.gz DNUMSRQKOMLNFK-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414824168 380434076 /nfs/dbraw/zinc/43/40/76/380434076.db2.gz AKDUNLKMOLHHRS-GOSISDBHSA-N 2 2 268.404 3.401 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414824217 380434136 /nfs/dbraw/zinc/43/41/36/380434136.db2.gz JVIHDBXMQGMRPA-UHFFFAOYSA-N 2 2 260.406 3.114 20 0 CGADLP Cc1cc(C)cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414836448 380443658 /nfs/dbraw/zinc/44/36/58/380443658.db2.gz SLUPNGDGHJNXCI-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354330442 380403377 /nfs/dbraw/zinc/40/33/77/380403377.db2.gz OKBFLZGUCBARCM-SFHVURJKSA-N 3 2 289.467 3.177 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354330442 380403382 /nfs/dbraw/zinc/40/33/82/380403382.db2.gz OKBFLZGUCBARCM-SFHVURJKSA-N 3 2 289.467 3.177 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414792969 380408997 /nfs/dbraw/zinc/40/89/97/380408997.db2.gz JMWQZWIHLNHKOG-GFCCVEGCSA-N 2 2 294.748 3.432 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414921946 380489478 /nfs/dbraw/zinc/48/94/78/380489478.db2.gz FKYNLKSUJCOWOJ-NOZJJQNGSA-N 2 2 273.207 3.081 20 0 CGADLP COc1cc(C)cc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354577048 380491388 /nfs/dbraw/zinc/49/13/88/380491388.db2.gz WCARUBJOCHQXON-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000414942442 380500962 /nfs/dbraw/zinc/50/09/62/380500962.db2.gz DLEIFFXSLJNRJD-SKDRFNHKSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH2+]1 ZINC000414945994 380501743 /nfs/dbraw/zinc/50/17/43/380501743.db2.gz JCQDBLRWYCYTOL-GXTWGEPZSA-N 2 2 287.432 3.040 20 0 CGADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414862284 380463431 /nfs/dbraw/zinc/46/34/31/380463431.db2.gz HIKZGEAFVPGWRX-SNVBAGLBSA-N 2 2 292.732 3.200 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000354517454 380465582 /nfs/dbraw/zinc/46/55/82/380465582.db2.gz XXXNZPZFKLIIOX-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000354517454 380465588 /nfs/dbraw/zinc/46/55/88/380465588.db2.gz XXXNZPZFKLIIOX-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000414876069 380469897 /nfs/dbraw/zinc/46/98/97/380469897.db2.gz VLUXRLXRJIWPBJ-UHFFFAOYSA-N 2 2 260.381 3.139 20 0 CGADLP CCCCc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000414881763 380471986 /nfs/dbraw/zinc/47/19/86/380471986.db2.gz LLAVPWOAZRGGPW-ZDUSSCGKSA-N 2 2 272.392 3.227 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(C3CC3)CC2)c[nH+]1 ZINC000644838253 380525682 /nfs/dbraw/zinc/52/56/82/380525682.db2.gz RFHAPVZJBMRXEW-UHFFFAOYSA-N 2 2 258.409 3.445 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCSCC1 ZINC000355120494 380583329 /nfs/dbraw/zinc/58/33/29/380583329.db2.gz KAMUFANLVYTXDF-BBRMVZONSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCSCC1 ZINC000355120494 380583331 /nfs/dbraw/zinc/58/33/31/380583331.db2.gz KAMUFANLVYTXDF-BBRMVZONSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000417314108 380590928 /nfs/dbraw/zinc/59/09/28/380590928.db2.gz QPOHWBYOQMHBSQ-PAPYEOQZSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000417314108 380590934 /nfs/dbraw/zinc/59/09/34/380590934.db2.gz QPOHWBYOQMHBSQ-PAPYEOQZSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355158008 380602113 /nfs/dbraw/zinc/60/21/13/380602113.db2.gz SBADMXHVFJIKHB-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000355158008 380602119 /nfs/dbraw/zinc/60/21/19/380602119.db2.gz SBADMXHVFJIKHB-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(C2CC2)c1 ZINC000417361388 380608977 /nfs/dbraw/zinc/60/89/77/380608977.db2.gz YVIXOFJWMQABOH-ZDUSSCGKSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417371879 380613101 /nfs/dbraw/zinc/61/31/01/380613101.db2.gz WHXPAWPBVHJNMR-PVAVHDDUSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417371879 380613106 /nfs/dbraw/zinc/61/31/06/380613106.db2.gz WHXPAWPBVHJNMR-PVAVHDDUSA-N 2 2 270.420 3.212 20 0 CGADLP Cc1ccc2cc[nH+]c(NCCCCn3cc[nH+]c3)c2c1 ZINC000645205442 380615484 /nfs/dbraw/zinc/61/54/84/380615484.db2.gz GXQARLFTAPEMJM-UHFFFAOYSA-N 2 2 280.375 3.054 20 0 CGADLP Clc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000645382757 380665292 /nfs/dbraw/zinc/66/52/92/380665292.db2.gz AHNBNUXRKRCFGC-KRWDZBQOSA-N 2 2 292.854 3.347 20 0 CGADLP CCn1c[nH+]cc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000417765446 380674207 /nfs/dbraw/zinc/67/42/07/380674207.db2.gz NVMKDXBJSIPFAY-UHFFFAOYSA-N 2 2 261.413 3.449 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H]2COC(C)(C)C2)[NH+](C)C)cc1 ZINC000417840651 380682281 /nfs/dbraw/zinc/68/22/81/380682281.db2.gz LJXOTBXGTWQXDH-IAGOWNOFSA-N 2 2 290.451 3.009 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418110767 380702155 /nfs/dbraw/zinc/70/21/55/380702155.db2.gz CSNYJXVTTIYBLN-JLHYYAGUSA-N 2 2 278.827 3.427 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC1(C)C ZINC000418112031 380702198 /nfs/dbraw/zinc/70/21/98/380702198.db2.gz YPRGRBJUZSUSJC-ZIAGYGMSSA-N 2 2 257.381 3.249 20 0 CGADLP C[NH+](C)C1(CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000419013394 380763217 /nfs/dbraw/zinc/76/32/17/380763217.db2.gz ZDBALAJBLCPNRC-UHFFFAOYSA-N 2 2 275.783 3.394 20 0 CGADLP Fc1cccc(F)c1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000645812778 380739404 /nfs/dbraw/zinc/73/94/04/380739404.db2.gz DYTVSVNQCLEPPB-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000355676712 380747393 /nfs/dbraw/zinc/74/73/93/380747393.db2.gz CKUNIZCDOYGYRM-ZDUSSCGKSA-N 2 2 289.766 3.096 20 0 CGADLP CSC1(C[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CCC1 ZINC000356193977 380792920 /nfs/dbraw/zinc/79/29/20/380792920.db2.gz NZFYGMWBAJGNNM-KBPBESRZSA-N 2 2 270.486 3.125 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000646050942 380812436 /nfs/dbraw/zinc/81/24/36/380812436.db2.gz URAXSXZDYZVRPV-JKSUJKDBSA-N 2 2 275.440 3.421 20 0 CGADLP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000646050942 380812442 /nfs/dbraw/zinc/81/24/42/380812442.db2.gz URAXSXZDYZVRPV-JKSUJKDBSA-N 2 2 275.440 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1Cl ZINC000420362871 380852998 /nfs/dbraw/zinc/85/29/98/380852998.db2.gz JASMUKZPHMPCGU-OXJKWZBOSA-N 2 2 266.816 3.377 20 0 CGADLP Cc1ccc(CCC[NH2+]CCSC(C)C)c[nH+]1 ZINC000348813600 218745142 /nfs/dbraw/zinc/74/51/42/218745142.db2.gz XBHDOYLGOBOEFH-UHFFFAOYSA-N 2 2 252.427 3.054 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334881719 207238493 /nfs/dbraw/zinc/23/84/93/207238493.db2.gz JSKKKGMWHLJAMS-ZACCUICWSA-N 2 2 285.218 3.366 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000235223753 542310761 /nfs/dbraw/zinc/31/07/61/542310761.db2.gz MQBMFVFCBQQCFL-RISCZKNCSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000235524311 542312482 /nfs/dbraw/zinc/31/24/82/542312482.db2.gz ZAQXJBCBPMFHDQ-RYUDHWBXSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000366888302 382323484 /nfs/dbraw/zinc/32/34/84/382323484.db2.gz USCNDQLXOMYMSL-DOTOQJQBSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000366888302 382323491 /nfs/dbraw/zinc/32/34/91/382323491.db2.gz USCNDQLXOMYMSL-DOTOQJQBSA-N 2 2 269.392 3.151 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)c(F)c1 ZINC000367240299 382341412 /nfs/dbraw/zinc/34/14/12/382341412.db2.gz JIRKRJSLVRFRTM-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)c(F)c1 ZINC000367240299 382341420 /nfs/dbraw/zinc/34/14/20/382341420.db2.gz JIRKRJSLVRFRTM-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412889 542349592 /nfs/dbraw/zinc/34/95/92/542349592.db2.gz AZFGIQPJHHQRIZ-SUYBPPKGSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412889 542349597 /nfs/dbraw/zinc/34/95/97/542349597.db2.gz AZFGIQPJHHQRIZ-SUYBPPKGSA-N 2 2 294.389 3.490 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412922 542350195 /nfs/dbraw/zinc/35/01/95/542350195.db2.gz BFXFNQGXFZORDL-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412922 542350199 /nfs/dbraw/zinc/35/01/99/542350199.db2.gz BFXFNQGXFZORDL-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H](C)c1ccc(Cl)cc1 ZINC000279918991 194627228 /nfs/dbraw/zinc/62/72/28/194627228.db2.gz MLMYGCIFZPMALE-QWHCGFSZSA-N 2 2 277.799 3.318 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253028444 542351641 /nfs/dbraw/zinc/35/16/41/542351641.db2.gz PGZIBFJOKKTLIK-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253028444 542351647 /nfs/dbraw/zinc/35/16/47/542351647.db2.gz PGZIBFJOKKTLIK-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000353744609 220297212 /nfs/dbraw/zinc/29/72/12/220297212.db2.gz GEBMKPFPRUIDKW-UONOGXRCSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000353744609 220297217 /nfs/dbraw/zinc/29/72/17/220297217.db2.gz GEBMKPFPRUIDKW-UONOGXRCSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000353744609 220297220 /nfs/dbraw/zinc/29/72/20/220297220.db2.gz GEBMKPFPRUIDKW-UONOGXRCSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000353744609 220297226 /nfs/dbraw/zinc/29/72/26/220297226.db2.gz GEBMKPFPRUIDKW-UONOGXRCSA-N 2 2 264.413 3.147 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000289360817 197311858 /nfs/dbraw/zinc/31/18/58/197311858.db2.gz ZEFOHWPLSNXXOX-CJNGLKHVSA-N 2 2 255.365 3.111 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc(F)c1 ZINC000289353931 197308806 /nfs/dbraw/zinc/30/88/06/197308806.db2.gz XVYSXTIEESIDLJ-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP CC(=O)Nc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289347927 197306197 /nfs/dbraw/zinc/30/61/97/197306197.db2.gz XAJFJWTXLQKSBC-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP Cc1ccc(CCC[N@H+](CC(F)F)C(C)C)c[nH+]1 ZINC000353794910 220332255 /nfs/dbraw/zinc/33/22/55/220332255.db2.gz UWVSUSLDFWUVBO-UHFFFAOYSA-N 2 2 256.340 3.298 20 0 CGADLP Cc1ccc(CCC[N@@H+](CC(F)F)C(C)C)c[nH+]1 ZINC000353794910 220332256 /nfs/dbraw/zinc/33/22/56/220332256.db2.gz UWVSUSLDFWUVBO-UHFFFAOYSA-N 2 2 256.340 3.298 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289099464 197233900 /nfs/dbraw/zinc/23/39/00/197233900.db2.gz BZMDGCJARRPARF-KRWDZBQOSA-N 2 2 284.407 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289099464 197233902 /nfs/dbraw/zinc/23/39/02/197233902.db2.gz BZMDGCJARRPARF-KRWDZBQOSA-N 2 2 284.407 3.273 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423243670 533132060 /nfs/dbraw/zinc/13/20/60/533132060.db2.gz WWAXLAULTVBGSY-HKUYNNGSSA-N 2 2 296.414 3.126 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCCO2 ZINC000423322675 291904664 /nfs/dbraw/zinc/90/46/64/291904664.db2.gz ODGALQCGUABNFW-CABCVRRESA-N 2 2 294.826 3.189 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2CCSCC2)c[nH+]1 ZINC000354350941 220693991 /nfs/dbraw/zinc/69/39/91/220693991.db2.gz IXYUAWQUHUIXCA-UHFFFAOYSA-N 2 2 264.438 3.055 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423403683 533170652 /nfs/dbraw/zinc/17/06/52/533170652.db2.gz ZHUDQHUSBDDEDW-XJKSGUPXSA-N 2 2 276.424 3.124 20 0 CGADLP COCCC1(C[NH2+]CC[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436272142 533205932 /nfs/dbraw/zinc/20/59/32/533205932.db2.gz GHJLGTXZHKCPME-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP COCCC1(C[NH2+]CC[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436272142 533205941 /nfs/dbraw/zinc/20/59/41/533205941.db2.gz GHJLGTXZHKCPME-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353439780 542557003 /nfs/dbraw/zinc/55/70/03/542557003.db2.gz ISWHQMYDSKSPDP-QZTJIDSGSA-N 2 2 287.451 3.070 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423239258 533298478 /nfs/dbraw/zinc/29/84/78/533298478.db2.gz JQWCEHNJZAJKRB-RTBURBONSA-N 2 2 296.414 3.362 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414095280 533340672 /nfs/dbraw/zinc/34/06/72/533340672.db2.gz HHIOEIGTPONADM-ADAWSYLGSA-N 2 2 287.451 3.241 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1nc(-c2ccccc2)cs1 ZINC000423341162 533361219 /nfs/dbraw/zinc/36/12/19/533361219.db2.gz XQYNPFQYSFBRRQ-GFCCVEGCSA-N 2 2 287.432 3.342 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000414341195 533658190 /nfs/dbraw/zinc/65/81/90/533658190.db2.gz OFGLAMKKLFTGPY-VDHUWJSZSA-N 2 2 296.414 3.388 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000414341195 533658199 /nfs/dbraw/zinc/65/81/99/533658199.db2.gz OFGLAMKKLFTGPY-VDHUWJSZSA-N 2 2 296.414 3.388 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000449046696 533655853 /nfs/dbraw/zinc/65/58/53/533655853.db2.gz LTROENOJOKLCRH-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000449046696 533655859 /nfs/dbraw/zinc/65/58/59/533655859.db2.gz LTROENOJOKLCRH-DOTOQJQBSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]1 ZINC000423384797 533657646 /nfs/dbraw/zinc/65/76/46/533657646.db2.gz QNDYFDWWJIFWHR-SKDZVZGDSA-N 2 2 299.393 3.040 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000380863955 542595879 /nfs/dbraw/zinc/59/58/79/542595879.db2.gz WNIQGLBAVJDTTA-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000380863955 542595881 /nfs/dbraw/zinc/59/58/81/542595881.db2.gz WNIQGLBAVJDTTA-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000389165759 542606732 /nfs/dbraw/zinc/60/67/32/542606732.db2.gz MNKFVHDKCVWDBC-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC000389165759 542606737 /nfs/dbraw/zinc/60/67/37/542606737.db2.gz MNKFVHDKCVWDBC-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191130619 130187513 /nfs/dbraw/zinc/18/75/13/130187513.db2.gz RFNQSOHSRSNUDX-SECBINFHSA-N 2 2 258.818 3.146 20 0 CGADLP CC[C@@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000394395609 542613997 /nfs/dbraw/zinc/61/39/97/542613997.db2.gz BJNXJYQJITXBJC-CQSZACIVSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CC(F)(F)F)n2c1 ZINC000361741920 392309201 /nfs/dbraw/zinc/30/92/01/392309201.db2.gz HIZZGIBXUNBHNQ-JTQLQIEISA-N 2 2 271.286 3.073 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000361763203 392316866 /nfs/dbraw/zinc/31/68/66/392316866.db2.gz DIYJHJMUVLOYHH-WBVHZDCISA-N 2 2 299.418 3.085 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC23CCC3)[nH+]c1 ZINC000282078912 392280670 /nfs/dbraw/zinc/28/06/70/392280670.db2.gz HMYAHCHPUDURGZ-CQSZACIVSA-N 2 2 259.397 3.196 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285804591 392332661 /nfs/dbraw/zinc/33/26/61/392332661.db2.gz VLBRGYOHLIKARG-ZBFHGGJFSA-N 2 2 257.381 3.321 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000361851151 392345707 /nfs/dbraw/zinc/34/57/07/392345707.db2.gz URHMUVZVPROQLG-HRCADAONSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000361851151 392345711 /nfs/dbraw/zinc/34/57/11/392345711.db2.gz URHMUVZVPROQLG-HRCADAONSA-N 2 2 299.418 3.178 20 0 CGADLP CSC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000289040337 392413224 /nfs/dbraw/zinc/41/32/24/392413224.db2.gz APVIFJTVCLILKR-MRXNPFEDSA-N 2 2 290.476 3.309 20 0 CGADLP c1ccc([C@H](C[NH2+]C[C@H]2CCC=CO2)[NH+]2CCCC2)cc1 ZINC000050267483 285492020 /nfs/dbraw/zinc/49/20/20/285492020.db2.gz KFFIKSKKBDBQPN-MSOLQXFVSA-N 2 2 286.419 3.106 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000294267682 392535525 /nfs/dbraw/zinc/53/55/25/392535525.db2.gz RKIBXEDYNCIUIU-CFVMTHIKSA-N 2 2 264.438 3.334 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cs1 ZINC000294267682 392535529 /nfs/dbraw/zinc/53/55/29/392535529.db2.gz RKIBXEDYNCIUIU-CFVMTHIKSA-N 2 2 264.438 3.334 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000136096256 392476037 /nfs/dbraw/zinc/47/60/37/392476037.db2.gz YYWAKOZWZXQWKR-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000136096256 392476042 /nfs/dbraw/zinc/47/60/42/392476042.db2.gz YYWAKOZWZXQWKR-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152094046 392495005 /nfs/dbraw/zinc/49/50/05/392495005.db2.gz VEAORJFOBYXGBO-LSDHHAIUSA-N 2 2 271.408 3.456 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000152153218 392498933 /nfs/dbraw/zinc/49/89/33/392498933.db2.gz KZKOLCGMAFFCLQ-ZDUSSCGKSA-N 2 2 264.388 3.178 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(C)CC1 ZINC000152257600 392502026 /nfs/dbraw/zinc/50/20/26/392502026.db2.gz RYMBZAQDQAIURK-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000297511662 392567868 /nfs/dbraw/zinc/56/78/68/392567868.db2.gz CNAGYXQLESTEGJ-UGFHNGPFSA-N 2 2 264.438 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccsc1 ZINC000297511662 392567874 /nfs/dbraw/zinc/56/78/74/392567874.db2.gz CNAGYXQLESTEGJ-UGFHNGPFSA-N 2 2 264.438 3.272 20 0 CGADLP Cc1cc(F)ccc1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000298373295 392574512 /nfs/dbraw/zinc/57/45/12/392574512.db2.gz VDOLQVKYZNQOBB-UHFFFAOYSA-N 2 2 287.382 3.210 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000163298247 392604876 /nfs/dbraw/zinc/60/48/76/392604876.db2.gz BJKOOSJNNMDJMD-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000163298247 392604880 /nfs/dbraw/zinc/60/48/80/392604880.db2.gz BJKOOSJNNMDJMD-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C)c1)CCC2 ZINC000372580346 392620849 /nfs/dbraw/zinc/62/08/49/392620849.db2.gz BQONFZVKSSNMOC-INIZCTEOSA-N 2 2 269.392 3.167 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1 ZINC000647283846 392635934 /nfs/dbraw/zinc/63/59/34/392635934.db2.gz PHDCVZXRCAAWRW-QGZVFWFLSA-N 2 2 286.423 3.435 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000306728356 392643606 /nfs/dbraw/zinc/64/36/06/392643606.db2.gz NOHQQFSYXOXVFB-APWZRJJASA-N 2 2 280.415 3.439 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000306728356 392643614 /nfs/dbraw/zinc/64/36/14/392643614.db2.gz NOHQQFSYXOXVFB-APWZRJJASA-N 2 2 280.415 3.439 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(C2CC2)c1 ZINC000647554094 392767811 /nfs/dbraw/zinc/76/78/11/392767811.db2.gz QSXNVVCPVRMDAQ-KRWDZBQOSA-N 2 2 270.420 3.328 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000647531219 392751754 /nfs/dbraw/zinc/75/17/54/392751754.db2.gz HRMGJNUJELEUNB-UHFFFAOYSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC[C@@H]3C)cn21 ZINC000647364971 392708049 /nfs/dbraw/zinc/70/80/49/392708049.db2.gz UNLVWFLAWNUWFO-BBRMVZONSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647363575 392708060 /nfs/dbraw/zinc/70/80/60/392708060.db2.gz DFPGBEWYYDYWRI-ZBFHGGJFSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191562 392708267 /nfs/dbraw/zinc/70/82/67/392708267.db2.gz IQPZQWMMPRECSC-WPRPVWTQSA-N 2 2 295.308 3.035 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191562 392708274 /nfs/dbraw/zinc/70/82/74/392708274.db2.gz IQPZQWMMPRECSC-WPRPVWTQSA-N 2 2 295.308 3.035 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(C)c1F ZINC000334326893 392720483 /nfs/dbraw/zinc/72/04/83/392720483.db2.gz BRIBSRSEPMOCSB-TZMCWYRMSA-N 2 2 287.382 3.374 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(C)c1F ZINC000334326893 392720488 /nfs/dbraw/zinc/72/04/88/392720488.db2.gz BRIBSRSEPMOCSB-TZMCWYRMSA-N 2 2 287.382 3.374 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1nc(-c2ccccc2Cl)cs1 ZINC000647847571 392813764 /nfs/dbraw/zinc/81/37/64/392813764.db2.gz VKVNSMIFBHBFHN-UHFFFAOYSA-N 2 2 295.839 3.244 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1nc(-c2ccccc2Cl)cs1 ZINC000647847571 392813766 /nfs/dbraw/zinc/81/37/66/392813766.db2.gz VKVNSMIFBHBFHN-UHFFFAOYSA-N 2 2 295.839 3.244 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC(F)(F)CC1 ZINC000336002957 392827842 /nfs/dbraw/zinc/82/78/42/392827842.db2.gz KIRBQRNVUTXXEP-JQWIXIFHSA-N 2 2 283.366 3.071 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336002957 392827850 /nfs/dbraw/zinc/82/78/50/392827850.db2.gz KIRBQRNVUTXXEP-JQWIXIFHSA-N 2 2 283.366 3.071 20 0 CGADLP FC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000520335555 392919090 /nfs/dbraw/zinc/91/90/90/392919090.db2.gz AZLADYPZARZWDS-UHFFFAOYSA-N 2 2 279.746 3.117 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2COc3c2cccc3Cl)CC1 ZINC000378397281 392896361 /nfs/dbraw/zinc/89/63/61/392896361.db2.gz CKNHHZIMMYQYBQ-OAHLLOKOSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+](CC1(C)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000520335579 392919310 /nfs/dbraw/zinc/91/93/10/392919310.db2.gz FJDHMIYRZJDPFT-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP C[N@@H+](CC1(C)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000520335579 392919313 /nfs/dbraw/zinc/91/93/13/392919313.db2.gz FJDHMIYRZJDPFT-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381519011 392908926 /nfs/dbraw/zinc/90/89/26/392908926.db2.gz MGZYIHOYRAARPM-BFHKSVSOSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381519011 392908932 /nfs/dbraw/zinc/90/89/32/392908932.db2.gz MGZYIHOYRAARPM-BFHKSVSOSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)(C)C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000520227164 392911610 /nfs/dbraw/zinc/91/16/10/392911610.db2.gz IUDHNPABWHWJST-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP CC(C)(C)C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000520227164 392911616 /nfs/dbraw/zinc/91/16/16/392911616.db2.gz IUDHNPABWHWJST-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[NH+]2CCCCCC2)n1 ZINC000339356080 392954722 /nfs/dbraw/zinc/95/47/22/392954722.db2.gz AJFQYQXHUVURFQ-QWHCGFSZSA-N 2 2 280.416 3.053 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000340162660 392965789 /nfs/dbraw/zinc/96/57/89/392965789.db2.gz DHAIVIKOSRQQRA-DOTOQJQBSA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)C[C@@H]1c1ccccc1 ZINC000340162660 392965793 /nfs/dbraw/zinc/96/57/93/392965793.db2.gz DHAIVIKOSRQQRA-DOTOQJQBSA-N 2 2 270.376 3.205 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccns1)[N@H+](C)Cc1ccccc1 ZINC000404453201 392966720 /nfs/dbraw/zinc/96/67/20/392966720.db2.gz NRHPUQXAXJLAHO-CQSZACIVSA-N 2 2 289.448 3.143 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccns1)[N@@H+](C)Cc1ccccc1 ZINC000404453201 392966721 /nfs/dbraw/zinc/96/67/21/392966721.db2.gz NRHPUQXAXJLAHO-CQSZACIVSA-N 2 2 289.448 3.143 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccon1 ZINC000340355423 392970094 /nfs/dbraw/zinc/97/00/94/392970094.db2.gz RHWIPWDDLRJXII-LXZKKBNFSA-N 2 2 285.391 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccon1 ZINC000340355423 392970098 /nfs/dbraw/zinc/97/00/98/392970098.db2.gz RHWIPWDDLRJXII-LXZKKBNFSA-N 2 2 285.391 3.161 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000341966915 392995765 /nfs/dbraw/zinc/99/57/65/392995765.db2.gz ILTJULLIAIURII-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000341966915 392995775 /nfs/dbraw/zinc/99/57/75/392995775.db2.gz ILTJULLIAIURII-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648403545 392999384 /nfs/dbraw/zinc/99/93/84/392999384.db2.gz JFCHMVMFCTUEPD-UHFFFAOYSA-N 2 2 293.798 3.055 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000648432460 393014532 /nfs/dbraw/zinc/01/45/32/393014532.db2.gz LJWZCXOHGBSSBY-UKRRQHHQSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000648432460 393014535 /nfs/dbraw/zinc/01/45/35/393014535.db2.gz LJWZCXOHGBSSBY-UKRRQHHQSA-N 2 2 272.392 3.048 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000648524195 393083276 /nfs/dbraw/zinc/08/32/76/393083276.db2.gz QSYRMTQQRWSHQL-HPBDAGMYSA-N 2 2 290.451 3.225 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000648524194 393083756 /nfs/dbraw/zinc/08/37/56/393083756.db2.gz QSYRMTQQRWSHQL-DZOHQFGASA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000415003506 393087837 /nfs/dbraw/zinc/08/78/37/393087837.db2.gz GAUIGPYHGQCGMZ-SFYZADRCSA-N 2 2 280.721 3.184 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cc2c(s1)CCC2 ZINC000346807771 393094272 /nfs/dbraw/zinc/09/42/72/393094272.db2.gz MDZGIYDOAQSGKR-OUCADQQQSA-N 2 2 278.465 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cc2c(s1)CCC2 ZINC000346807771 393094282 /nfs/dbraw/zinc/09/42/82/393094282.db2.gz MDZGIYDOAQSGKR-OUCADQQQSA-N 2 2 278.465 3.370 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415042129 393109533 /nfs/dbraw/zinc/10/95/33/393109533.db2.gz MDINIMYDEAYIBE-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000415042129 393109540 /nfs/dbraw/zinc/10/95/40/393109540.db2.gz MDINIMYDEAYIBE-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000415043453 393109558 /nfs/dbraw/zinc/10/95/58/393109558.db2.gz RFWSYPJEVYWOOH-GFCCVEGCSA-N 2 2 273.207 3.224 20 0 CGADLP C1=CC[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000245558800 393043660 /nfs/dbraw/zinc/04/36/60/393043660.db2.gz LDUMKQPUNVZPDX-SJORKVTESA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000245558800 393043665 /nfs/dbraw/zinc/04/36/65/393043665.db2.gz LDUMKQPUNVZPDX-SJORKVTESA-N 2 2 262.441 3.293 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000344707370 393047598 /nfs/dbraw/zinc/04/75/98/393047598.db2.gz DDTGGQMXKMJLLG-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000344707370 393047602 /nfs/dbraw/zinc/04/76/02/393047602.db2.gz DDTGGQMXKMJLLG-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000344707370 393047609 /nfs/dbraw/zinc/04/76/09/393047609.db2.gz DDTGGQMXKMJLLG-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000344707370 393047617 /nfs/dbraw/zinc/04/76/17/393047617.db2.gz DDTGGQMXKMJLLG-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414950064 393058230 /nfs/dbraw/zinc/05/82/30/393058230.db2.gz HEAZPYKSFPITSS-RHSMWYFYSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414957940 393064497 /nfs/dbraw/zinc/06/44/97/393064497.db2.gz RKBINMBVWPHODY-KSSFIOAISA-N 2 2 288.435 3.238 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccccc1Br)C1CCCC1 ZINC000415044345 393110788 /nfs/dbraw/zinc/11/07/88/393110788.db2.gz BRYWKRDLUUBHIK-CQSZACIVSA-N 2 2 297.240 3.056 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053154 393114206 /nfs/dbraw/zinc/11/42/06/393114206.db2.gz OGSYWFZXHRGHEM-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053154 393114213 /nfs/dbraw/zinc/11/42/13/393114213.db2.gz OGSYWFZXHRGHEM-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Clc1sccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053500 393114918 /nfs/dbraw/zinc/11/49/18/393114918.db2.gz OSFKLDGCHCJBFI-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053500 393114921 /nfs/dbraw/zinc/11/49/21/393114921.db2.gz OSFKLDGCHCJBFI-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000547505382 393123009 /nfs/dbraw/zinc/12/30/09/393123009.db2.gz IOCBUUBCBSPJQM-NEPJUHHUSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000547505382 393123016 /nfs/dbraw/zinc/12/30/16/393123016.db2.gz IOCBUUBCBSPJQM-NEPJUHHUSA-N 2 2 266.351 3.039 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc2c1NCC2 ZINC000415065236 393124032 /nfs/dbraw/zinc/12/40/32/393124032.db2.gz MMACAISYQJPJNT-GOSISDBHSA-N 2 2 295.430 3.007 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071390 393127923 /nfs/dbraw/zinc/12/79/23/393127923.db2.gz SXVFYPPZHMXZKH-ZDUSSCGKSA-N 2 2 279.453 3.032 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000415070076 393128455 /nfs/dbraw/zinc/12/84/55/393128455.db2.gz UKMDTLCJWYFKLT-QGPMSJSTSA-N 2 2 290.451 3.044 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000415073129 393130141 /nfs/dbraw/zinc/13/01/41/393130141.db2.gz ZDOJFTPZPDUQQO-GOSISDBHSA-N 2 2 298.430 3.356 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)[NH3+] ZINC000258906710 393138270 /nfs/dbraw/zinc/13/82/70/393138270.db2.gz SKJMSVAMVAWNDD-UHFFFAOYSA-N 2 2 261.196 3.163 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)[NH3+] ZINC000258906710 393138275 /nfs/dbraw/zinc/13/82/75/393138275.db2.gz SKJMSVAMVAWNDD-UHFFFAOYSA-N 2 2 261.196 3.163 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC000415114751 393148852 /nfs/dbraw/zinc/14/88/52/393148852.db2.gz TZYKLPCOOFMNCN-ZVZYQTTQSA-N 2 2 281.403 3.226 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC000415131538 393155609 /nfs/dbraw/zinc/15/56/09/393155609.db2.gz ZHESDIGGZXELPW-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC000415131538 393155613 /nfs/dbraw/zinc/15/56/13/393155613.db2.gz ZHESDIGGZXELPW-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000468726407 393158471 /nfs/dbraw/zinc/15/84/71/393158471.db2.gz UYJVYZAXGIONKC-KBPBESRZSA-N 2 2 299.418 3.446 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000468726407 393158474 /nfs/dbraw/zinc/15/84/74/393158474.db2.gz UYJVYZAXGIONKC-KBPBESRZSA-N 2 2 299.418 3.446 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000269041521 393218544 /nfs/dbraw/zinc/21/85/44/393218544.db2.gz GTBDCVXBCVADIE-AVGNSLFASA-N 2 2 264.438 3.332 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000269041521 393218551 /nfs/dbraw/zinc/21/85/51/393218551.db2.gz GTBDCVXBCVADIE-AVGNSLFASA-N 2 2 264.438 3.332 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000469803263 393218484 /nfs/dbraw/zinc/21/84/84/393218484.db2.gz YDYLNFRFEPRKSM-QAPCUYQASA-N 2 2 274.452 3.328 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000271557564 393252222 /nfs/dbraw/zinc/25/22/22/393252222.db2.gz WDVDKMRBJIZWEO-MRXNPFEDSA-N 2 2 288.341 3.488 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355481620 393329556 /nfs/dbraw/zinc/32/95/56/393329556.db2.gz DPKYPVOHKNVNBX-UUWFMWQGSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355481620 393329564 /nfs/dbraw/zinc/32/95/64/393329564.db2.gz DPKYPVOHKNVNBX-UUWFMWQGSA-N 2 2 288.410 3.275 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000472063124 393329921 /nfs/dbraw/zinc/32/99/21/393329921.db2.gz MLJLYXQFBPJSRP-BFUOFWGJSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000472063124 393329927 /nfs/dbraw/zinc/32/99/27/393329927.db2.gz MLJLYXQFBPJSRP-BFUOFWGJSA-N 2 2 297.446 3.357 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000355732358 393337892 /nfs/dbraw/zinc/33/78/92/393337892.db2.gz IZTHIZNJQQZSII-MRXNPFEDSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000355732358 393337901 /nfs/dbraw/zinc/33/79/01/393337901.db2.gz IZTHIZNJQQZSII-MRXNPFEDSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417949342 393357833 /nfs/dbraw/zinc/35/78/33/393357833.db2.gz WIMDCGCUBSCLJV-HIFRSBDPSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cscc1C(F)(F)F ZINC000356180288 393370838 /nfs/dbraw/zinc/37/08/38/393370838.db2.gz ZOBMSBPYKLQLBX-SECBINFHSA-N 2 2 289.326 3.142 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H](C)C3)cn21 ZINC000647262606 393421387 /nfs/dbraw/zinc/42/13/87/393421387.db2.gz GTUQOMDKVJITHO-DZGCQCFKSA-N 2 2 271.408 3.354 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000356345673 393425032 /nfs/dbraw/zinc/42/50/32/393425032.db2.gz YOAWQJGONKOYRP-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000356345673 393425037 /nfs/dbraw/zinc/42/50/37/393425037.db2.gz YOAWQJGONKOYRP-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP C[NH2+]C[C@H]1CCCN1c1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000420219756 393439762 /nfs/dbraw/zinc/43/97/62/393439762.db2.gz XNIBRQXLPHGSLT-CYBMUJFWSA-N 2 2 290.455 3.086 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420305265 393458235 /nfs/dbraw/zinc/45/82/35/393458235.db2.gz YTIJWJXAKBONED-CQSZACIVSA-N 2 2 296.842 3.169 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420305265 393458242 /nfs/dbraw/zinc/45/82/42/393458242.db2.gz YTIJWJXAKBONED-CQSZACIVSA-N 2 2 296.842 3.169 20 0 CGADLP C[N@H+](CCSc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000420325495 393468758 /nfs/dbraw/zinc/46/87/58/393468758.db2.gz INZCYDGCITVJQP-UHFFFAOYSA-N 2 2 284.856 3.245 20 0 CGADLP C[N@@H+](CCSc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000420325495 393468765 /nfs/dbraw/zinc/46/87/65/393468765.db2.gz INZCYDGCITVJQP-UHFFFAOYSA-N 2 2 284.856 3.245 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328739 393468907 /nfs/dbraw/zinc/46/89/07/393468907.db2.gz FNUWMTLRWATIRM-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328739 393468909 /nfs/dbraw/zinc/46/89/09/393468909.db2.gz FNUWMTLRWATIRM-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135775 393469043 /nfs/dbraw/zinc/46/90/43/393469043.db2.gz OVCBZPGEAYCJAN-DOTOQJQBSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc2O1 ZINC000429135775 393469044 /nfs/dbraw/zinc/46/90/44/393469044.db2.gz OVCBZPGEAYCJAN-DOTOQJQBSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc2O1 ZINC000429135775 393469046 /nfs/dbraw/zinc/46/90/46/393469046.db2.gz OVCBZPGEAYCJAN-DOTOQJQBSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc2O1 ZINC000429135775 393469048 /nfs/dbraw/zinc/46/90/48/393469048.db2.gz OVCBZPGEAYCJAN-DOTOQJQBSA-N 2 2 288.435 3.144 20 0 CGADLP CC[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(F)cc1 ZINC000420378853 393478743 /nfs/dbraw/zinc/47/87/43/393478743.db2.gz XHIRTTIZSMBZIV-SHUKQUCYSA-N 2 2 264.388 3.253 20 0 CGADLP C[N@H+](CC[NH+]1CCC[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700270 393495901 /nfs/dbraw/zinc/49/59/01/393495901.db2.gz ZJDSZGROBCZIQI-MSOLQXFVSA-N 2 2 272.436 3.383 20 0 CGADLP C[N@@H+](CC[NH+]1CCC[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700270 393495908 /nfs/dbraw/zinc/49/59/08/393495908.db2.gz ZJDSZGROBCZIQI-MSOLQXFVSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@@H+]1CCC[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700270 393495914 /nfs/dbraw/zinc/49/59/14/393495914.db2.gz ZJDSZGROBCZIQI-MSOLQXFVSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@H+]1CCC[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000429700270 393495919 /nfs/dbraw/zinc/49/59/19/393495919.db2.gz ZJDSZGROBCZIQI-MSOLQXFVSA-N 2 2 272.436 3.383 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488413925 393503825 /nfs/dbraw/zinc/50/38/25/393503825.db2.gz DHBQWWSQRDYQRI-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488413925 393503831 /nfs/dbraw/zinc/50/38/31/393503831.db2.gz DHBQWWSQRDYQRI-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962646 393504646 /nfs/dbraw/zinc/50/46/46/393504646.db2.gz GFFKLGNZHLORTF-RCCFBDPRSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962646 393504651 /nfs/dbraw/zinc/50/46/51/393504651.db2.gz GFFKLGNZHLORTF-RCCFBDPRSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000488446675 393516551 /nfs/dbraw/zinc/51/65/51/393516551.db2.gz HMICDXVEUZYJFI-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000488446675 393516555 /nfs/dbraw/zinc/51/65/55/393516555.db2.gz HMICDXVEUZYJFI-GOEBONIOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000358387355 393525305 /nfs/dbraw/zinc/52/53/05/393525305.db2.gz BJDBYPXTWUVTJA-UGFHNGPFSA-N 2 2 294.826 3.093 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)CCC2 ZINC000358573091 393526120 /nfs/dbraw/zinc/52/61/20/393526120.db2.gz QQQMWGABXBDHQL-DRPJVOAASA-N 2 2 275.440 3.483 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000359521684 393550379 /nfs/dbraw/zinc/55/03/79/393550379.db2.gz DPVLSVMKSCYPOT-FUHWJXTLSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000359521684 393550386 /nfs/dbraw/zinc/55/03/86/393550386.db2.gz DPVLSVMKSCYPOT-FUHWJXTLSA-N 2 2 290.451 3.002 20 0 CGADLP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649720346 393557476 /nfs/dbraw/zinc/55/74/76/393557476.db2.gz HYFPCVJVKWLIED-AEFFLSMTSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649720346 393557477 /nfs/dbraw/zinc/55/74/77/393557477.db2.gz HYFPCVJVKWLIED-AEFFLSMTSA-N 2 2 299.418 3.262 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000666858080 542821627 /nfs/dbraw/zinc/82/16/27/542821627.db2.gz WFTBZSBAWKYDQK-LLVKDONJSA-N 2 2 270.779 3.019 20 0 CGADLP CC[C@@H](C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489866599 393619270 /nfs/dbraw/zinc/61/92/70/393619270.db2.gz ZKQIOMYSNSIFQM-GFCCVEGCSA-N 2 2 280.378 3.381 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489866599 393619273 /nfs/dbraw/zinc/61/92/73/393619273.db2.gz ZKQIOMYSNSIFQM-GFCCVEGCSA-N 2 2 280.378 3.381 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360987453 393630837 /nfs/dbraw/zinc/63/08/37/393630837.db2.gz PPGDEXZBWVZJJN-PBHICJAKSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000360987453 393630845 /nfs/dbraw/zinc/63/08/45/393630845.db2.gz PPGDEXZBWVZJJN-PBHICJAKSA-N 2 2 288.435 3.234 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000490115668 393633485 /nfs/dbraw/zinc/63/34/85/393633485.db2.gz YFNHWYXRHJKPQG-INIZCTEOSA-N 2 2 280.481 3.345 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000490115668 393633489 /nfs/dbraw/zinc/63/34/89/393633489.db2.gz YFNHWYXRHJKPQG-INIZCTEOSA-N 2 2 280.481 3.345 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000361013020 393641196 /nfs/dbraw/zinc/64/11/96/393641196.db2.gz LVUDEUKUKPOTNK-SJLPKXTDSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000361013020 393641201 /nfs/dbraw/zinc/64/12/01/393641201.db2.gz LVUDEUKUKPOTNK-SJLPKXTDSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423184761 393653918 /nfs/dbraw/zinc/65/39/18/393653918.db2.gz IPUJDHBDEBBUPR-TVQRCGJNSA-N 2 2 273.207 3.396 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccccc1OC ZINC000423296341 393660220 /nfs/dbraw/zinc/66/02/20/393660220.db2.gz GRHQAVHYAKVTFK-ZFWWWQNUSA-N 2 2 264.413 3.253 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000491033727 393663431 /nfs/dbraw/zinc/66/34/31/393663431.db2.gz FVHMSCLVPWATLI-GLJUWKHASA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000491033727 393663438 /nfs/dbraw/zinc/66/34/38/393663438.db2.gz FVHMSCLVPWATLI-GLJUWKHASA-N 2 2 272.436 3.382 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000423455828 393668430 /nfs/dbraw/zinc/66/84/30/393668430.db2.gz CYZMQMOOGOUXRT-JQWIXIFHSA-N 2 2 272.339 3.066 20 0 CGADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1F ZINC000492418216 393731800 /nfs/dbraw/zinc/73/18/00/393731800.db2.gz RSZPJWUDAIKFIJ-UHFFFAOYSA-N 2 2 283.350 3.498 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]CC[C@@H]3CCOC3)cc2)c1C ZINC000361237507 393709578 /nfs/dbraw/zinc/70/95/78/393709578.db2.gz PHCVGGSFYXLMNF-OAHLLOKOSA-N 2 2 285.391 3.328 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000433306873 393710493 /nfs/dbraw/zinc/71/04/93/393710493.db2.gz TUJRIRCFXYDPCG-JKSUJKDBSA-N 2 2 258.409 3.210 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000433306873 393710496 /nfs/dbraw/zinc/71/04/96/393710496.db2.gz TUJRIRCFXYDPCG-JKSUJKDBSA-N 2 2 258.409 3.210 20 0 CGADLP CCC(CC)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000492257487 393711010 /nfs/dbraw/zinc/71/10/10/393711010.db2.gz KKVOTXDMYUDTOI-UHFFFAOYSA-N 2 2 293.436 3.229 20 0 CGADLP CC(C)c1cc(NCC2([NH+](C)C)CCC2)nc(C(C)C)[nH+]1 ZINC000445605713 393810637 /nfs/dbraw/zinc/81/06/37/393810637.db2.gz TZUIDAOVGXCWSL-UHFFFAOYSA-N 2 2 290.455 3.042 20 0 CGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000449557419 393901698 /nfs/dbraw/zinc/90/16/98/393901698.db2.gz RBSBVLMLOKNMEA-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000449557419 393901699 /nfs/dbraw/zinc/90/16/99/393901699.db2.gz RBSBVLMLOKNMEA-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP Clc1ccc2cccnc2c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000666992514 542832879 /nfs/dbraw/zinc/83/28/79/542832879.db2.gz QMFYSFHPWVZWKZ-ZDUSSCGKSA-N 2 2 289.810 3.120 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)[nH]1 ZINC000450557770 394017551 /nfs/dbraw/zinc/01/75/51/394017551.db2.gz BXMOOZOVNYIMEC-HNNXBMFYSA-N 2 2 259.397 3.480 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCC3=CCCCC3)C2)[nH]1 ZINC000450557770 394017553 /nfs/dbraw/zinc/01/75/53/394017553.db2.gz BXMOOZOVNYIMEC-HNNXBMFYSA-N 2 2 259.397 3.480 20 0 CGADLP CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488681 394004161 /nfs/dbraw/zinc/00/41/61/394004161.db2.gz WDSZPKWWBXVUKT-CVEARBPZSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488681 394004164 /nfs/dbraw/zinc/00/41/64/394004164.db2.gz WDSZPKWWBXVUKT-CVEARBPZSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450488681 394004169 /nfs/dbraw/zinc/00/41/69/394004169.db2.gz WDSZPKWWBXVUKT-CVEARBPZSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450488681 394004173 /nfs/dbraw/zinc/00/41/73/394004173.db2.gz WDSZPKWWBXVUKT-CVEARBPZSA-N 2 2 252.446 3.227 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C)cc1 ZINC000667482356 542874357 /nfs/dbraw/zinc/87/43/57/542874357.db2.gz AVKPQUQHMARGSD-UHFFFAOYSA-N 2 2 271.408 3.449 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C)cc1 ZINC000667482356 542874361 /nfs/dbraw/zinc/87/43/61/542874361.db2.gz AVKPQUQHMARGSD-UHFFFAOYSA-N 2 2 271.408 3.449 20 0 CGADLP C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000450596304 394027831 /nfs/dbraw/zinc/02/78/31/394027831.db2.gz SRSIGOJDYPKMSU-SOEBMCCKSA-N 2 2 273.424 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C[C@@H]1n1cc[nH+]c1 ZINC000450596304 394027834 /nfs/dbraw/zinc/02/78/34/394027834.db2.gz SRSIGOJDYPKMSU-SOEBMCCKSA-N 2 2 273.424 3.346 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000453059287 394155995 /nfs/dbraw/zinc/15/59/95/394155995.db2.gz MLSZIXHTVKSRKA-DLBZAZTESA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000453059287 394155999 /nfs/dbraw/zinc/15/59/99/394155999.db2.gz MLSZIXHTVKSRKA-DLBZAZTESA-N 2 2 289.467 3.114 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081902 394165501 /nfs/dbraw/zinc/16/55/01/394165501.db2.gz KKJFXAWRUJIWTC-JKSUJKDBSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081902 394165503 /nfs/dbraw/zinc/16/55/03/394165503.db2.gz KKJFXAWRUJIWTC-JKSUJKDBSA-N 2 2 296.480 3.146 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C3CC3)C3CCC3)n2c1 ZINC000453602862 394255674 /nfs/dbraw/zinc/25/56/74/394255674.db2.gz HKLXFEQTUGGKSS-QGZVFWFLSA-N 2 2 269.392 3.311 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453206443 394204803 /nfs/dbraw/zinc/20/48/03/394204803.db2.gz VJHKQSUAEQFUSA-OLZOCXBDSA-N 2 2 261.394 3.000 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)c1 ZINC000453412159 394238349 /nfs/dbraw/zinc/23/83/49/394238349.db2.gz HLSOUXDTVWUMCN-IBGZPJMESA-N 2 2 299.462 3.214 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000453603500 394255474 /nfs/dbraw/zinc/25/54/74/394255474.db2.gz HVVCHUFPDMRGGC-UHFFFAOYSA-N 2 2 280.378 3.285 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1C ZINC000667503337 542880756 /nfs/dbraw/zinc/88/07/56/542880756.db2.gz INHLVFFCWZXQQX-CQSZACIVSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1C ZINC000667503337 542880759 /nfs/dbraw/zinc/88/07/59/542880759.db2.gz INHLVFFCWZXQQX-CQSZACIVSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1ccc(C)n1C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667567387 542891602 /nfs/dbraw/zinc/89/16/02/542891602.db2.gz XSWDBLNVMDMJTJ-UHFFFAOYSA-N 2 2 298.434 3.085 20 0 CGADLP CC1(c2ccccc2)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667602097 542897235 /nfs/dbraw/zinc/89/72/35/542897235.db2.gz SATQVQRNTRQQNA-UHFFFAOYSA-N 2 2 295.430 3.383 20 0 CGADLP CC(C)C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667674623 542913397 /nfs/dbraw/zinc/91/33/97/542913397.db2.gz LHHLJCVCFRCYIS-AWEZNQCLSA-N 2 2 261.413 3.087 20 0 CGADLP CC(C)C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667674623 542913400 /nfs/dbraw/zinc/91/34/00/542913400.db2.gz LHHLJCVCFRCYIS-AWEZNQCLSA-N 2 2 261.413 3.087 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969123 542952342 /nfs/dbraw/zinc/95/23/42/542952342.db2.gz DNILQVHKDZJQAH-FZKQIMNGSA-N 2 2 299.418 3.320 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969123 542952345 /nfs/dbraw/zinc/95/23/45/542952345.db2.gz DNILQVHKDZJQAH-FZKQIMNGSA-N 2 2 299.418 3.320 20 0 CGADLP CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668208993 542989422 /nfs/dbraw/zinc/98/94/22/542989422.db2.gz PTZJPRWXKOTNAC-MRXNPFEDSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)C[C@@]1(C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668208993 542989423 /nfs/dbraw/zinc/98/94/23/542989423.db2.gz PTZJPRWXKOTNAC-MRXNPFEDSA-N 2 2 261.413 3.230 20 0 CGADLP CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000668168300 542979634 /nfs/dbraw/zinc/97/96/34/542979634.db2.gz STALIANLJZHEJF-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000668168300 542979636 /nfs/dbraw/zinc/97/96/36/542979636.db2.gz STALIANLJZHEJF-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172460 542980591 /nfs/dbraw/zinc/98/05/91/542980591.db2.gz OIVNVZHLVCGWKO-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172460 542980593 /nfs/dbraw/zinc/98/05/93/542980593.db2.gz OIVNVZHLVCGWKO-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172460 542980594 /nfs/dbraw/zinc/98/05/94/542980594.db2.gz OIVNVZHLVCGWKO-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)[nH]c2c1 ZINC000668172460 542980597 /nfs/dbraw/zinc/98/05/97/542980597.db2.gz OIVNVZHLVCGWKO-LPHOPBHVSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)n1C ZINC000668275043 543000204 /nfs/dbraw/zinc/00/02/04/543000204.db2.gz QSQVITQEVJZYJS-GDBMZVCRSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)n1C ZINC000668275043 543000205 /nfs/dbraw/zinc/00/02/05/543000205.db2.gz QSQVITQEVJZYJS-GDBMZVCRSA-N 2 2 275.440 3.377 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)c2ccccn2)c[nH+]1 ZINC000668437582 543013121 /nfs/dbraw/zinc/01/31/21/543013121.db2.gz KOEPJRNNICFSKU-CQSZACIVSA-N 2 2 269.392 3.111 20 0 CGADLP COCC1(C2CCC2)C[NH+](CCCc2ccc(C)[nH+]c2)C1 ZINC000668514954 543022438 /nfs/dbraw/zinc/02/24/38/543022438.db2.gz QNUGTXROTUVHQG-UHFFFAOYSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccsc1 ZINC000669831011 543126281 /nfs/dbraw/zinc/12/62/81/543126281.db2.gz JGVJVGAGFNCUCW-LLVKDONJSA-N 2 2 257.362 3.247 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000670154578 543142247 /nfs/dbraw/zinc/14/22/47/543142247.db2.gz WPYPCIXSPIWERC-IRXDYDNUSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000670154578 543142250 /nfs/dbraw/zinc/14/22/50/543142250.db2.gz WPYPCIXSPIWERC-IRXDYDNUSA-N 2 2 264.457 3.275 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000387935981 397690336 /nfs/dbraw/zinc/69/03/36/397690336.db2.gz CIIPKIAUDBOTDF-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000387935981 397690337 /nfs/dbraw/zinc/69/03/37/397690337.db2.gz CIIPKIAUDBOTDF-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP CC[N@H+](CC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000388616273 397690979 /nfs/dbraw/zinc/69/09/79/397690979.db2.gz DRCKTUDEZOCADL-UHFFFAOYSA-N 2 2 252.361 3.037 20 0 CGADLP CC[N@@H+](CC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000388616273 397690981 /nfs/dbraw/zinc/69/09/81/397690981.db2.gz DRCKTUDEZOCADL-UHFFFAOYSA-N 2 2 252.361 3.037 20 0 CGADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CCc2ccc(Cl)cc21 ZINC000650710803 397898882 /nfs/dbraw/zinc/89/88/82/397898882.db2.gz ZYJVMZXMNTXYAK-NSHDSACASA-N 2 2 266.816 3.039 20 0 CGADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCc2ccc(Cl)cc21 ZINC000650710803 397898884 /nfs/dbraw/zinc/89/88/84/397898884.db2.gz ZYJVMZXMNTXYAK-NSHDSACASA-N 2 2 266.816 3.039 20 0 CGADLP C[C@H]([NH2+]C1(c2ccccc2Cl)CCC1)[C@@H]1CCC[NH2+]1 ZINC000650739865 397903585 /nfs/dbraw/zinc/90/35/85/397903585.db2.gz ATWHKWVCBXATBX-WFASDCNBSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000650763814 397913105 /nfs/dbraw/zinc/91/31/05/397913105.db2.gz KCRNQHWSZAUZRK-FZMZJTMJSA-N 2 2 298.352 3.425 20 0 CGADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000675548276 543346174 /nfs/dbraw/zinc/34/61/74/543346174.db2.gz KFMSWCVNNGZIBE-VXGBXAGGSA-N 2 2 276.428 3.077 20 0 CGADLP Cc1nc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000675548276 543346176 /nfs/dbraw/zinc/34/61/76/543346176.db2.gz KFMSWCVNNGZIBE-VXGBXAGGSA-N 2 2 276.428 3.077 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1SC ZINC000675765635 543361522 /nfs/dbraw/zinc/36/15/22/543361522.db2.gz CLKOONPAFBHEMJ-GXTWGEPZSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000675765635 543361526 /nfs/dbraw/zinc/36/15/26/543361526.db2.gz CLKOONPAFBHEMJ-GXTWGEPZSA-N 2 2 294.464 3.162 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1Cl ZINC000675731712 543358648 /nfs/dbraw/zinc/35/86/48/543358648.db2.gz PSOFWTIUXUKIMV-LBPRGKRZSA-N 2 2 282.815 3.095 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919858 543373748 /nfs/dbraw/zinc/37/37/48/543373748.db2.gz JHNOGOGMHWQDHH-PBHICJAKSA-N 2 2 283.419 3.482 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC3(C)C)[nH+]c12 ZINC000675926762 543374952 /nfs/dbraw/zinc/37/49/52/543374952.db2.gz ZHWRJZQVOOWGKK-OAHLLOKOSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712534 543411600 /nfs/dbraw/zinc/41/16/00/543411600.db2.gz NABHFNRIVMNURY-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712534 543411601 /nfs/dbraw/zinc/41/16/01/543411601.db2.gz NABHFNRIVMNURY-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712534 543411602 /nfs/dbraw/zinc/41/16/02/543411602.db2.gz NABHFNRIVMNURY-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712534 543411603 /nfs/dbraw/zinc/41/16/03/543411603.db2.gz NABHFNRIVMNURY-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP Clc1cscc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000678219863 543494933 /nfs/dbraw/zinc/49/49/33/543494933.db2.gz BGTOPOPIKXMNCF-UHFFFAOYSA-N 2 2 281.812 3.435 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235699 543497980 /nfs/dbraw/zinc/49/79/80/543497980.db2.gz YKKCLKLZGUSLSZ-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235699 543497982 /nfs/dbraw/zinc/49/79/82/543497982.db2.gz YKKCLKLZGUSLSZ-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000678235319 543498322 /nfs/dbraw/zinc/49/83/22/543498322.db2.gz HVNIIJYZVAHZDK-GFCCVEGCSA-N 2 2 295.308 3.138 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000678235319 543498324 /nfs/dbraw/zinc/49/83/24/543498324.db2.gz HVNIIJYZVAHZDK-GFCCVEGCSA-N 2 2 295.308 3.138 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000118998283 292201750 /nfs/dbraw/zinc/20/17/50/292201750.db2.gz BWMYDEHJEWILTG-MAUKXSAKSA-N 2 2 290.451 3.002 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2COc3c2ccc(C)c3C)CC1 ZINC000678773894 543556703 /nfs/dbraw/zinc/55/67/03/543556703.db2.gz UVXIZIQDSLIFGE-QGZVFWFLSA-N 2 2 288.435 3.201 20 0 CGADLP CCc1ccc([C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C)cc1 ZINC000678685501 543549858 /nfs/dbraw/zinc/54/98/58/543549858.db2.gz HJKDJGKYVUOXGX-YOEHRIQHSA-N 2 2 262.441 3.486 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678911206 543571678 /nfs/dbraw/zinc/57/16/78/543571678.db2.gz UJPSBEVUYNKBOI-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678911206 543571681 /nfs/dbraw/zinc/57/16/81/543571681.db2.gz UJPSBEVUYNKBOI-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000678927374 543572528 /nfs/dbraw/zinc/57/25/28/543572528.db2.gz IQLYTBPAGLKUJI-AEFFLSMTSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000678927374 543572530 /nfs/dbraw/zinc/57/25/30/543572530.db2.gz IQLYTBPAGLKUJI-AEFFLSMTSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000678993955 543579943 /nfs/dbraw/zinc/57/99/43/543579943.db2.gz ARBUYZJPIOFFAH-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000678993955 543579945 /nfs/dbraw/zinc/57/99/45/543579945.db2.gz ARBUYZJPIOFFAH-KBMXLJTQSA-N 2 2 294.389 3.284 20 0 CGADLP COCC1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000449060574 292263208 /nfs/dbraw/zinc/26/32/08/292263208.db2.gz DFKILIRMCJCAKS-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000358087921 292369156 /nfs/dbraw/zinc/36/91/56/292369156.db2.gz QNPJFUGXQLMUOA-MORSLUCNSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000358087921 292369157 /nfs/dbraw/zinc/36/91/57/292369157.db2.gz QNPJFUGXQLMUOA-MORSLUCNSA-N 2 2 270.420 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@H+]1C1CC1 ZINC000679015649 543583209 /nfs/dbraw/zinc/58/32/09/543583209.db2.gz ITUAEPZCVBIPIE-CZUORRHYSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000679015649 543583208 /nfs/dbraw/zinc/58/32/08/543583208.db2.gz ITUAEPZCVBIPIE-CZUORRHYSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+]1CCC(C)CC1 ZINC000353246374 286878703 /nfs/dbraw/zinc/87/87/03/286878703.db2.gz FHXCFNQCDGEULE-HOTGVXAUSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000042254565 286893589 /nfs/dbraw/zinc/89/35/89/286893589.db2.gz JJXIHDWZIYYBJW-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000020146292 287023812 /nfs/dbraw/zinc/02/38/12/287023812.db2.gz OKAMERJGSDPGOR-CQSZACIVSA-N 2 2 250.386 3.052 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000186927634 287036806 /nfs/dbraw/zinc/03/68/06/287036806.db2.gz IGEZACNTAXMQDY-RHSMWYFYSA-N 2 2 292.492 3.411 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295859994 287070172 /nfs/dbraw/zinc/07/01/72/287070172.db2.gz BLMWVRMGOJGYGV-CJNGLKHVSA-N 2 2 285.391 3.090 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000076004145 165105571 /nfs/dbraw/zinc/10/55/71/165105571.db2.gz NECAYLXOCMFHEO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000076004145 165105578 /nfs/dbraw/zinc/10/55/78/165105578.db2.gz NECAYLXOCMFHEO-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000080430672 165154292 /nfs/dbraw/zinc/15/42/92/165154292.db2.gz HBXURKIBXIUKDE-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000091670995 165265736 /nfs/dbraw/zinc/26/57/36/165265736.db2.gz CSYOLHYJMAZCQP-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)c[nH+]c2c1 ZINC000092485585 165297369 /nfs/dbraw/zinc/29/73/69/165297369.db2.gz HWXJXXYXHRVERI-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccn2c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)c[nH+]c2c1 ZINC000092485585 165297371 /nfs/dbraw/zinc/29/73/71/165297371.db2.gz HWXJXXYXHRVERI-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422555 165348961 /nfs/dbraw/zinc/34/89/61/165348961.db2.gz NSGTZAVFWXLHJH-JKSUJKDBSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]C(C2CC2)C2CC2)[NH+](C)C)cc1 ZINC000118961407 287162736 /nfs/dbraw/zinc/16/27/36/287162736.db2.gz PVUGNNNETXTZGF-QGZVFWFLSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[NH+]1CCC(C)CC1 ZINC000367080837 298781724 /nfs/dbraw/zinc/78/17/24/298781724.db2.gz OKWNKFCNRRJGRZ-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1[nH+]ccn1CCCCSc1[nH+]cc2ccccn21 ZINC000124632853 287235755 /nfs/dbraw/zinc/23/57/55/287235755.db2.gz AZISHVAFIMJCQM-UHFFFAOYSA-N 2 2 286.404 3.412 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000020126805 171011294 /nfs/dbraw/zinc/01/12/94/171011294.db2.gz VOEXACDQLRHIRB-GFCCVEGCSA-N 2 2 297.240 3.196 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCCCC1 ZINC000020186719 171051103 /nfs/dbraw/zinc/05/11/03/171051103.db2.gz YTKMGOALNBJYHO-UHFFFAOYSA-N 2 2 257.381 3.267 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000020189607 171055279 /nfs/dbraw/zinc/05/52/79/171055279.db2.gz XFKWPIGMHKBQAK-BBRMVZONSA-N 2 2 276.424 3.367 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000020189704 171055286 /nfs/dbraw/zinc/05/52/86/171055286.db2.gz YBNPUXBJCXEMFP-ZDUSSCGKSA-N 2 2 264.388 3.351 20 0 CGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020562795 171252491 /nfs/dbraw/zinc/25/24/91/171252491.db2.gz PRRNEFLIKOIXDU-KRWDZBQOSA-N 2 2 258.409 3.140 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000021057745 171296213 /nfs/dbraw/zinc/29/62/13/171296213.db2.gz WALBCWPHCUXTMD-HNNXBMFYSA-N 2 2 272.436 3.312 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000126633113 287269604 /nfs/dbraw/zinc/26/96/04/287269604.db2.gz BGKFBXRNDFJFHC-KRWDZBQOSA-N 2 2 269.392 3.249 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037223992 173044799 /nfs/dbraw/zinc/04/47/99/173044799.db2.gz FXGOVSPOHDYIPU-KRWDZBQOSA-N 2 2 260.425 3.386 20 0 CGADLP C[NH+](C)CCOc1ccc([NH2+]C2CCCCC2)cc1 ZINC000037774307 173706705 /nfs/dbraw/zinc/70/67/05/173706705.db2.gz HFIJJRJZTFPWDQ-UHFFFAOYSA-N 2 2 262.397 3.372 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028593 174017116 /nfs/dbraw/zinc/01/71/16/174017116.db2.gz BJZMMFXKNKKFQZ-HZPDHXFCSA-N 2 2 290.451 3.177 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000038090888 174104856 /nfs/dbraw/zinc/10/48/56/174104856.db2.gz LWVKENAIHMWQHC-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)c1 ZINC000040500492 174297043 /nfs/dbraw/zinc/29/70/43/174297043.db2.gz AEUYQRINEDYSJD-HNNXBMFYSA-N 2 2 262.441 3.246 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746856 174392139 /nfs/dbraw/zinc/39/21/39/174392139.db2.gz DCNKKTSJKBMKAR-YIONKMFJSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746856 174392141 /nfs/dbraw/zinc/39/21/41/174392141.db2.gz DCNKKTSJKBMKAR-YIONKMFJSA-N 2 2 294.826 3.063 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326207 175007798 /nfs/dbraw/zinc/00/77/98/175007798.db2.gz JSQMSSHSUNUXLM-KBPBESRZSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527734 175192978 /nfs/dbraw/zinc/19/29/78/175192978.db2.gz VKALWECQNNVSSM-WDEREUQCSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527734 175192979 /nfs/dbraw/zinc/19/29/79/175192979.db2.gz VKALWECQNNVSSM-WDEREUQCSA-N 2 2 270.779 3.211 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123029076 416505368 /nfs/dbraw/zinc/50/53/68/416505368.db2.gz FSKPKUYFWBYOFY-YESZJQIVSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123029076 416505374 /nfs/dbraw/zinc/50/53/74/416505374.db2.gz FSKPKUYFWBYOFY-YESZJQIVSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000679039603 543585908 /nfs/dbraw/zinc/58/59/08/543585908.db2.gz SCQHTTPJFIMFON-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000679039603 543585911 /nfs/dbraw/zinc/58/59/11/543585911.db2.gz SCQHTTPJFIMFON-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H](F)C1)[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000679219370 543601547 /nfs/dbraw/zinc/60/15/47/543601547.db2.gz CPUGOQRWQRMRAX-LYYZXLFJSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H](F)C1)[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000679219370 543601550 /nfs/dbraw/zinc/60/15/50/543601550.db2.gz CPUGOQRWQRMRAX-LYYZXLFJSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H](F)C1)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219370 543601552 /nfs/dbraw/zinc/60/15/52/543601552.db2.gz CPUGOQRWQRMRAX-LYYZXLFJSA-N 2 2 288.426 3.125 20 0 CGADLP C[C@@H](CC[NH+]1CC[C@@H](C)[C@H](F)C1)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679219370 543601556 /nfs/dbraw/zinc/60/15/56/543601556.db2.gz CPUGOQRWQRMRAX-LYYZXLFJSA-N 2 2 288.426 3.125 20 0 CGADLP CSc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000680074976 543683785 /nfs/dbraw/zinc/68/37/85/543683785.db2.gz YLOAQKLTATVETC-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP CSc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000680074976 543683786 /nfs/dbraw/zinc/68/37/86/543683786.db2.gz YLOAQKLTATVETC-UHFFFAOYSA-N 2 2 290.476 3.469 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccncc1 ZINC000680127587 543686688 /nfs/dbraw/zinc/68/66/88/543686688.db2.gz SWSKBYAVYMETAN-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000680330371 543698458 /nfs/dbraw/zinc/69/84/58/543698458.db2.gz USRHJDPEYZLQTM-OAHLLOKOSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000680330371 543698459 /nfs/dbraw/zinc/69/84/59/543698459.db2.gz USRHJDPEYZLQTM-OAHLLOKOSA-N 2 2 273.405 3.308 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000682373478 543837585 /nfs/dbraw/zinc/83/75/85/543837585.db2.gz QLTYBDBZSMKFFY-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000682373478 543837587 /nfs/dbraw/zinc/83/75/87/543837587.db2.gz QLTYBDBZSMKFFY-CQSZACIVSA-N 2 2 286.341 3.198 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000682522608 543849482 /nfs/dbraw/zinc/84/94/82/543849482.db2.gz MUCPMNAAIKJCCJ-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000682522608 543849486 /nfs/dbraw/zinc/84/94/86/543849486.db2.gz MUCPMNAAIKJCCJ-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000683814711 543943866 /nfs/dbraw/zinc/94/38/66/543943866.db2.gz OMUXENFYNKVCAU-RDJZCZTQSA-N 2 2 287.407 3.029 20 0 CGADLP COC1CC[NH+](CC[NH2+]CC[C@H](C)CCC=C(C)C)CC1 ZINC000684614307 544020055 /nfs/dbraw/zinc/02/00/55/544020055.db2.gz UPQLFBCGZRBQQT-QGZVFWFLSA-N 2 2 296.499 3.459 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000684385774 543990972 /nfs/dbraw/zinc/99/09/72/543990972.db2.gz LTQJTIAXGZLLPI-MSOLQXFVSA-N 2 2 290.451 3.244 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000685426378 544067764 /nfs/dbraw/zinc/06/77/64/544067764.db2.gz NLGUZESJQPGUKP-VXGBXAGGSA-N 2 2 288.357 3.349 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470418 544077876 /nfs/dbraw/zinc/07/78/76/544077876.db2.gz OYKLSQHHIVJEJE-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470418 544077878 /nfs/dbraw/zinc/07/78/78/544077878.db2.gz OYKLSQHHIVJEJE-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470418 544077881 /nfs/dbraw/zinc/07/78/81/544077881.db2.gz OYKLSQHHIVJEJE-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470418 544077883 /nfs/dbraw/zinc/07/78/83/544077883.db2.gz OYKLSQHHIVJEJE-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684963783 544046743 /nfs/dbraw/zinc/04/67/43/544046743.db2.gz MROVUPIHVBNKMM-OFLPRAFFSA-N 2 2 285.435 3.066 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCC34CCOCC4)[nH]c2c1 ZINC000367087961 226731558 /nfs/dbraw/zinc/73/15/58/226731558.db2.gz RUQFHOYJLPEDPZ-INIZCTEOSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000354795439 227115986 /nfs/dbraw/zinc/11/59/86/227115986.db2.gz WFUKKGIDWKRTGT-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000354795439 227115989 /nfs/dbraw/zinc/11/59/89/227115989.db2.gz WFUKKGIDWKRTGT-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cs1 ZINC000652222270 418936922 /nfs/dbraw/zinc/93/69/22/418936922.db2.gz JEUSPJDMCQUMSA-LBPRGKRZSA-N 2 2 269.458 3.080 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cs1 ZINC000652222270 418936925 /nfs/dbraw/zinc/93/69/25/418936925.db2.gz JEUSPJDMCQUMSA-LBPRGKRZSA-N 2 2 269.458 3.080 20 0 CGADLP c1ccc2[nH+]c(NC[C@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000664680119 418992721 /nfs/dbraw/zinc/99/27/21/418992721.db2.gz OVYJCEIGXGYCQP-CQSZACIVSA-N 2 2 284.407 3.097 20 0 CGADLP c1ccc2[nH+]c(NC[C@H]3CCC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000664680119 418992723 /nfs/dbraw/zinc/99/27/23/418992723.db2.gz OVYJCEIGXGYCQP-CQSZACIVSA-N 2 2 284.407 3.097 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000665251471 419093589 /nfs/dbraw/zinc/09/35/89/419093589.db2.gz PRLPHANECNVBPQ-MORSLUCNSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000665251495 419093996 /nfs/dbraw/zinc/09/39/96/419093996.db2.gz QKYQJMDQUOSXSJ-GDIGMMSISA-N 2 2 296.414 3.189 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccnc1 ZINC000665254537 419094539 /nfs/dbraw/zinc/09/45/39/419094539.db2.gz SSCRYLDBTYXUNM-MORSLUCNSA-N 2 2 299.393 3.017 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc2cc(C)ccc2o1)[C@@H]1CCC[NH2+]1 ZINC000665261813 419095388 /nfs/dbraw/zinc/09/53/88/419095388.db2.gz LZVZZDRUTYSRFX-CVEARBPZSA-N 2 2 272.392 3.361 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2=CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665274290 419098071 /nfs/dbraw/zinc/09/80/71/419098071.db2.gz NBFYFRJPEJIGOA-MSOLQXFVSA-N 2 2 286.419 3.188 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000665277991 419099453 /nfs/dbraw/zinc/09/94/53/419099453.db2.gz RRBGENCHNBMJAF-TZGCNFNXSA-N 2 2 293.414 3.151 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccccc2)o1 ZINC000665277829 419099524 /nfs/dbraw/zinc/09/95/24/419099524.db2.gz MTKUEPKKOPEKDP-WRSVWVKZSA-N 2 2 282.387 3.349 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000655793029 419099611 /nfs/dbraw/zinc/09/96/11/419099611.db2.gz KPXQTQHDMLNNLX-UHFFFAOYSA-N 2 2 284.403 3.031 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665277397 419099679 /nfs/dbraw/zinc/09/96/79/419099679.db2.gz ALLYFGSRUZQFJH-KWCGZIOASA-N 2 2 297.229 3.322 20 0 CGADLP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000665275828 419099852 /nfs/dbraw/zinc/09/98/52/419099852.db2.gz SQOUMZAFYBNOQU-DZGCQCFKSA-N 2 2 282.378 3.194 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccncc2)cc1 ZINC000665277889 419100019 /nfs/dbraw/zinc/10/00/19/419100019.db2.gz OLPRCDSTMGJFRO-XVTSOASTSA-N 2 2 293.414 3.151 20 0 CGADLP C[C@H]([NH2+]CC1CC=CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660240079 419107381 /nfs/dbraw/zinc/10/73/81/419107381.db2.gz VLYLENRVXBQWMH-AWEZNQCLSA-N 2 2 267.376 3.489 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000665296278 419108337 /nfs/dbraw/zinc/10/83/37/419108337.db2.gz PUOPDVJXJRWYRU-FZMZJTMJSA-N 2 2 282.815 3.060 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000665296371 419108700 /nfs/dbraw/zinc/10/87/00/419108700.db2.gz RWCIDUSYXYAFNZ-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000665296496 419108872 /nfs/dbraw/zinc/10/88/72/419108872.db2.gz TZBGTKJGLUBNKY-ABAIWWIYSA-N 2 2 266.816 3.305 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665296487 419108898 /nfs/dbraw/zinc/10/88/98/419108898.db2.gz TWXROTVPFXYHIQ-NEPJUHHUSA-N 2 2 260.381 3.254 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000665295828 419109424 /nfs/dbraw/zinc/10/94/24/419109424.db2.gz JXYBRZBKJBXCMB-FZMZJTMJSA-N 2 2 282.815 3.060 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc2ccccc21 ZINC000665297645 419110162 /nfs/dbraw/zinc/11/01/62/419110162.db2.gz JDXJPZLDCVLQHI-DYVFJYSZSA-N 2 2 256.393 3.488 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000665296738 419110300 /nfs/dbraw/zinc/11/03/00/419110300.db2.gz XHADQFDXHKNNIT-RHSMWYFYSA-N 2 2 278.440 3.370 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665298590 419110850 /nfs/dbraw/zinc/11/08/50/419110850.db2.gz YNVFRRLIFYUFSW-UONOGXRCSA-N 2 2 264.413 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000665296739 419111185 /nfs/dbraw/zinc/11/11/85/419111185.db2.gz XHADQFDXHKNNIT-WMLDXEAASA-N 2 2 278.440 3.370 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000655849179 419119719 /nfs/dbraw/zinc/11/97/19/419119719.db2.gz PUYXUPXAYYLMAC-XIRDDKMYSA-N 2 2 290.455 3.132 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000655849179 419119722 /nfs/dbraw/zinc/11/97/22/419119722.db2.gz PUYXUPXAYYLMAC-XIRDDKMYSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849688 419119965 /nfs/dbraw/zinc/11/99/65/419119965.db2.gz PJMSNEDZKSXRNL-BMFZPTHFSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849688 419119969 /nfs/dbraw/zinc/11/99/69/419119969.db2.gz PJMSNEDZKSXRNL-BMFZPTHFSA-N 2 2 278.465 3.286 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659999323 419060571 /nfs/dbraw/zinc/06/05/71/419060571.db2.gz OHMIXDPJJOCRER-LLVKDONJSA-N 2 2 271.355 3.271 20 0 CGADLP CO[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000660094891 419074374 /nfs/dbraw/zinc/07/43/74/419074374.db2.gz LPEPCMYZISBWKD-QGZVFWFLSA-N 2 2 291.439 3.184 20 0 CGADLP CCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000656215007 419152494 /nfs/dbraw/zinc/15/24/94/419152494.db2.gz PYTPMTVSBKDURI-UHFFFAOYSA-N 2 2 267.804 3.046 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000656275217 419163381 /nfs/dbraw/zinc/16/33/81/419163381.db2.gz UXIWWJLEKPXBDG-MRXNPFEDSA-N 2 2 278.440 3.363 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC2(CCCCC2)O1 ZINC000656281110 419166426 /nfs/dbraw/zinc/16/64/26/419166426.db2.gz SEVXUMFSQHARJK-HNNXBMFYSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC2(CCCCC2)O1 ZINC000656281110 419166427 /nfs/dbraw/zinc/16/64/27/419166427.db2.gz SEVXUMFSQHARJK-HNNXBMFYSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@@H](c1ccc(-c2[nH+]ccn2C)cc1)[NH+]1CCCC1 ZINC000656369665 419167431 /nfs/dbraw/zinc/16/74/31/419167431.db2.gz RHWUIGMKEXJBGB-ZDUSSCGKSA-N 2 2 255.365 3.244 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856920 419125641 /nfs/dbraw/zinc/12/56/41/419125641.db2.gz QVVCMVMJBXVACV-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856920 419125643 /nfs/dbraw/zinc/12/56/43/419125643.db2.gz QVVCMVMJBXVACV-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC000655936306 419127899 /nfs/dbraw/zinc/12/78/99/419127899.db2.gz DCUIMTIKRKGVFT-LRDDRELGSA-N 2 2 282.378 3.099 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCc1c(F)cccc1F ZINC000655936306 419127902 /nfs/dbraw/zinc/12/79/02/419127902.db2.gz DCUIMTIKRKGVFT-LRDDRELGSA-N 2 2 282.378 3.099 20 0 CGADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657305675 419246624 /nfs/dbraw/zinc/24/66/24/419246624.db2.gz QRWWZRFVLNMOED-KRWDZBQOSA-N 2 2 283.419 3.359 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125024674 292624330 /nfs/dbraw/zinc/62/43/30/292624330.db2.gz IZXDNHCPDMDREG-AEFFLSMTSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657341480 419255152 /nfs/dbraw/zinc/25/51/52/419255152.db2.gz BXBKHFUTVMFJFI-HNNXBMFYSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Nc1ccccc1 ZINC000657354856 419258526 /nfs/dbraw/zinc/25/85/26/419258526.db2.gz WTRMFWULGARSED-KRWDZBQOSA-N 2 2 298.434 3.056 20 0 CGADLP COc1ccc([C@H](C)CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657375535 419263098 /nfs/dbraw/zinc/26/30/98/419263098.db2.gz HUZWXUXJERZDJV-CQSZACIVSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C(C)(C)C)[C@H](C)C2 ZINC000656792175 419221057 /nfs/dbraw/zinc/22/10/57/419221057.db2.gz PCSQJTHAFWHCAF-CJNGLKHVSA-N 2 2 260.425 3.206 20 0 CGADLP COc1cccc([C@]2(C)CC[N@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000656791940 419221415 /nfs/dbraw/zinc/22/14/15/419221415.db2.gz MMUAFIYHBXXGPN-GOSISDBHSA-N 2 2 290.451 3.047 20 0 CGADLP COc1cccc([C@]2(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C2)c1 ZINC000656791940 419221416 /nfs/dbraw/zinc/22/14/16/419221416.db2.gz MMUAFIYHBXXGPN-GOSISDBHSA-N 2 2 290.451 3.047 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCc4cc(N)ccc43)c[nH+]c12 ZINC000656790989 419221544 /nfs/dbraw/zinc/22/15/44/419221544.db2.gz PACLNTQQCZPSKC-KRWDZBQOSA-N 2 2 292.386 3.002 20 0 CGADLP Cc1ccc2cc(C[NH2+]CCCNc3cccc[nH+]3)[nH]c2c1 ZINC000657390944 419268513 /nfs/dbraw/zinc/26/85/13/419268513.db2.gz LAKQUCPZUXULTP-UHFFFAOYSA-N 2 2 294.402 3.463 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514164 419268879 /nfs/dbraw/zinc/26/88/79/419268879.db2.gz QWGWURSLBSVEIQ-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514164 419268882 /nfs/dbraw/zinc/26/88/82/419268882.db2.gz QWGWURSLBSVEIQ-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514164 419268884 /nfs/dbraw/zinc/26/88/84/419268884.db2.gz QWGWURSLBSVEIQ-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514164 419268887 /nfs/dbraw/zinc/26/88/87/419268887.db2.gz QWGWURSLBSVEIQ-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc2ccncc2s1 ZINC000657416835 419273726 /nfs/dbraw/zinc/27/37/26/419273726.db2.gz HGUAHYOYHBQOED-UHFFFAOYSA-N 2 2 283.400 3.332 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1(Cc3ccccc3)CCCC1)CCC2 ZINC000657435402 419277473 /nfs/dbraw/zinc/27/74/73/419277473.db2.gz MRDPLMARLMXLON-UHFFFAOYSA-N 2 2 295.430 3.474 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCC1=CCCCCC1)CCC2 ZINC000657434615 419277777 /nfs/dbraw/zinc/27/77/77/419277777.db2.gz AKOQRXYCTLBIEL-UHFFFAOYSA-N 2 2 259.397 3.200 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000657443170 419280775 /nfs/dbraw/zinc/28/07/75/419280775.db2.gz ZTQFFJGUKFYIRM-IRXDYDNUSA-N 2 2 295.430 3.330 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](CCF)C1 ZINC000661690377 419285849 /nfs/dbraw/zinc/28/58/49/419285849.db2.gz QBMUVBBZAWVGAU-CVEARBPZSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](CCF)C1 ZINC000661690377 419285852 /nfs/dbraw/zinc/28/58/52/419285852.db2.gz QBMUVBBZAWVGAU-CVEARBPZSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690377 419285853 /nfs/dbraw/zinc/28/58/53/419285853.db2.gz QBMUVBBZAWVGAU-CVEARBPZSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H](CCF)C1 ZINC000661690377 419285855 /nfs/dbraw/zinc/28/58/55/419285855.db2.gz QBMUVBBZAWVGAU-CVEARBPZSA-N 2 2 270.436 3.321 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657489940 419291542 /nfs/dbraw/zinc/29/15/42/419291542.db2.gz CBJIYEVHQHQOJC-OAHLLOKOSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)n1C ZINC000657506406 419296315 /nfs/dbraw/zinc/29/63/15/419296315.db2.gz IKNCZZXSVJTMOI-JTQLQIEISA-N 2 2 271.355 3.032 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657526175 419296677 /nfs/dbraw/zinc/29/66/77/419296677.db2.gz BTGYGQZEBNJLLR-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000657526175 419296679 /nfs/dbraw/zinc/29/66/79/419296679.db2.gz BTGYGQZEBNJLLR-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657522307 419296775 /nfs/dbraw/zinc/29/67/75/419296775.db2.gz ASGXOFFPWZTGRF-HUUCEWRRSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657522307 419296776 /nfs/dbraw/zinc/29/67/76/419296776.db2.gz ASGXOFFPWZTGRF-HUUCEWRRSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000657523053 419296877 /nfs/dbraw/zinc/29/68/77/419296877.db2.gz CYDZCPPZZNURFM-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000657523053 419296879 /nfs/dbraw/zinc/29/68/79/419296879.db2.gz CYDZCPPZZNURFM-OAHLLOKOSA-N 2 2 271.408 3.130 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525151 419298143 /nfs/dbraw/zinc/29/81/43/419298143.db2.gz URIYFLUBIMJLFO-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525151 419298146 /nfs/dbraw/zinc/29/81/46/419298146.db2.gz URIYFLUBIMJLFO-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000657526893 419298937 /nfs/dbraw/zinc/29/89/37/419298937.db2.gz OUQBTMDPUHGPKP-WSNITJDQSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000657526893 419298940 /nfs/dbraw/zinc/29/89/40/419298940.db2.gz OUQBTMDPUHGPKP-WSNITJDQSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657561424 419304270 /nfs/dbraw/zinc/30/42/70/419304270.db2.gz IEPUXZSVRMFQSL-GJZGRUSLSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657561424 419304273 /nfs/dbraw/zinc/30/42/73/419304273.db2.gz IEPUXZSVRMFQSL-GJZGRUSLSA-N 2 2 288.435 3.015 20 0 CGADLP CC[C@@H](C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657585433 419310081 /nfs/dbraw/zinc/31/00/81/419310081.db2.gz AOYIMIITHREBLV-OAHLLOKOSA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000657614072 419314688 /nfs/dbraw/zinc/31/46/88/419314688.db2.gz DOUJEESVEZZQBV-QGZVFWFLSA-N 2 2 287.382 3.455 20 0 CGADLP C[C@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(F)F ZINC000657670543 419325672 /nfs/dbraw/zinc/32/56/72/419325672.db2.gz GOVKBBWPFWUJIX-HNNXBMFYSA-N 2 2 291.345 3.397 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000657741428 419334499 /nfs/dbraw/zinc/33/44/99/419334499.db2.gz DJFGTQFQQZATAB-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000657741428 419334501 /nfs/dbraw/zinc/33/45/01/419334501.db2.gz DJFGTQFQQZATAB-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662156996 419346442 /nfs/dbraw/zinc/34/64/42/419346442.db2.gz NXZADEPPAQQXIM-OAHLLOKOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662156996 419346447 /nfs/dbraw/zinc/34/64/47/419346447.db2.gz NXZADEPPAQQXIM-OAHLLOKOSA-N 2 2 261.413 3.007 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1F ZINC000662323127 419393469 /nfs/dbraw/zinc/39/34/69/419393469.db2.gz LLEHZMYAKWGKBK-IAGOWNOFSA-N 2 2 282.362 3.128 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CC[C@H]1F ZINC000662323127 419393475 /nfs/dbraw/zinc/39/34/75/419393475.db2.gz LLEHZMYAKWGKBK-IAGOWNOFSA-N 2 2 282.362 3.128 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C(F)F ZINC000657836262 419381999 /nfs/dbraw/zinc/38/19/99/419381999.db2.gz JYBQINKFRFRYNS-LBPRGKRZSA-N 2 2 297.393 3.320 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662285229 419384453 /nfs/dbraw/zinc/38/44/53/419384453.db2.gz HWRAPEYAIBWHHY-IUODEOHRSA-N 2 2 282.378 3.226 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662285229 419384457 /nfs/dbraw/zinc/38/44/57/419384457.db2.gz HWRAPEYAIBWHHY-IUODEOHRSA-N 2 2 282.378 3.226 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293087 419384859 /nfs/dbraw/zinc/38/48/59/419384859.db2.gz NRIABFGMAAUDJF-ZDUSSCGKSA-N 2 2 256.340 3.085 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293087 419384862 /nfs/dbraw/zinc/38/48/62/419384862.db2.gz NRIABFGMAAUDJF-ZDUSSCGKSA-N 2 2 256.340 3.085 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000657900678 419423570 /nfs/dbraw/zinc/42/35/70/419423570.db2.gz JJXGATDOLKLEGF-YCPHGPKFSA-N 2 2 273.424 3.298 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000658058125 419526295 /nfs/dbraw/zinc/52/62/95/419526295.db2.gz CWAWWHWDIZEHHS-CABCVRRESA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000658058125 419526304 /nfs/dbraw/zinc/52/63/04/419526304.db2.gz CWAWWHWDIZEHHS-CABCVRRESA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000658058478 419528475 /nfs/dbraw/zinc/52/84/75/419528475.db2.gz DLVVSAUPFWZQEI-YOEHRIQHSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000658058478 419528479 /nfs/dbraw/zinc/52/84/79/419528479.db2.gz DLVVSAUPFWZQEI-YOEHRIQHSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000658058360 419529351 /nfs/dbraw/zinc/52/93/51/419529351.db2.gz SAHCHDRVPDKXLH-OFLPRAFFSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000658058360 419529357 /nfs/dbraw/zinc/52/93/57/419529357.db2.gz SAHCHDRVPDKXLH-OFLPRAFFSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658058992 419533910 /nfs/dbraw/zinc/53/39/10/419533910.db2.gz GXIZPXMHNKJEQT-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658058992 419533917 /nfs/dbraw/zinc/53/39/17/419533917.db2.gz GXIZPXMHNKJEQT-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP CC(C)[C@H]([NH3+])CCNc1[nH+]ccc2ccc(F)cc21 ZINC000663276422 419538327 /nfs/dbraw/zinc/53/83/27/419538327.db2.gz WZUQJPJUMYQSFW-CQSZACIVSA-N 2 2 261.344 3.159 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093175 419568559 /nfs/dbraw/zinc/56/85/59/419568559.db2.gz TYMSJDDTUVTKPI-BBRMVZONSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093175 419568566 /nfs/dbraw/zinc/56/85/66/419568566.db2.gz TYMSJDDTUVTKPI-BBRMVZONSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090978 419565081 /nfs/dbraw/zinc/56/50/81/419565081.db2.gz JWCCPOKPEGFJLC-HOTGVXAUSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090978 419565087 /nfs/dbraw/zinc/56/50/87/419565087.db2.gz JWCCPOKPEGFJLC-HOTGVXAUSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663347201 419569356 /nfs/dbraw/zinc/56/93/56/419569356.db2.gz UXPXQEJZIVNXNE-UHFFFAOYSA-N 2 2 284.407 3.102 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000663357858 419576195 /nfs/dbraw/zinc/57/61/95/419576195.db2.gz IUQZZKYSRMOSFB-GHMZBOCLSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@H+]1C1CC1 ZINC000663357858 419576203 /nfs/dbraw/zinc/57/62/03/419576203.db2.gz IUQZZKYSRMOSFB-GHMZBOCLSA-N 2 2 278.362 3.180 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)n1C ZINC000663366460 419581060 /nfs/dbraw/zinc/58/10/60/419581060.db2.gz GRRVYZYGMRGTKW-SFHVURJKSA-N 2 2 283.419 3.186 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000663514899 419639608 /nfs/dbraw/zinc/63/96/08/419639608.db2.gz VPELEFQGPBIBFA-HNNXBMFYSA-N 2 2 298.430 3.368 20 0 CGADLP C[C@H]1C[C@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@@H+]1C ZINC000663663209 419668498 /nfs/dbraw/zinc/66/84/98/419668498.db2.gz ZZCDVRKZLMCBHN-DZGCQCFKSA-N 2 2 297.406 3.115 20 0 CGADLP C[C@H]1C[C@H](Nc2cc(Nc3ccccc3)[nH+]cn2)CC[N@H+]1C ZINC000663663209 419668506 /nfs/dbraw/zinc/66/85/06/419668506.db2.gz ZZCDVRKZLMCBHN-DZGCQCFKSA-N 2 2 297.406 3.115 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229217 419688616 /nfs/dbraw/zinc/68/86/16/419688616.db2.gz PNWJGGQMDAZRDA-AEFFLSMTSA-N 2 2 294.483 3.188 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229217 419688623 /nfs/dbraw/zinc/68/86/23/419688623.db2.gz PNWJGGQMDAZRDA-AEFFLSMTSA-N 2 2 294.483 3.188 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000658229685 419689638 /nfs/dbraw/zinc/68/96/38/419689638.db2.gz GAXLLLPOTQIOBE-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000658229685 419689645 /nfs/dbraw/zinc/68/96/45/419689645.db2.gz GAXLLLPOTQIOBE-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658241112 419698210 /nfs/dbraw/zinc/69/82/10/419698210.db2.gz KGXSZVQJWYQSLB-CABCVRRESA-N 2 2 280.481 3.389 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285311 419732647 /nfs/dbraw/zinc/73/26/47/419732647.db2.gz JWAJCGHJRPDRPF-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000658285311 419732653 /nfs/dbraw/zinc/73/26/53/419732653.db2.gz JWAJCGHJRPDRPF-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286488 419733756 /nfs/dbraw/zinc/73/37/56/419733756.db2.gz TWWDSEVGTJAMFR-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286488 419733765 /nfs/dbraw/zinc/73/37/65/419733765.db2.gz TWWDSEVGTJAMFR-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccsc1 ZINC000658295930 419745416 /nfs/dbraw/zinc/74/54/16/419745416.db2.gz PSIALMOSPNDKCM-JKSUJKDBSA-N 2 2 294.464 3.042 20 0 CGADLP CC1(C)[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000184550554 263111396 /nfs/dbraw/zinc/11/13/96/263111396.db2.gz UZMWEUXXRVRCSB-IRXDYDNUSA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036842677 270028249 /nfs/dbraw/zinc/02/82/49/270028249.db2.gz KJEFUIDIBRAJKA-DAWZGUTISA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036842677 270028250 /nfs/dbraw/zinc/02/82/50/270028250.db2.gz KJEFUIDIBRAJKA-DAWZGUTISA-N 2 2 272.436 3.315 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccs1 ZINC000036996311 270028272 /nfs/dbraw/zinc/02/82/72/270028272.db2.gz BONFOSHIBYTLGY-MELADBBJSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccs1 ZINC000036996311 270028273 /nfs/dbraw/zinc/02/82/73/270028273.db2.gz BONFOSHIBYTLGY-MELADBBJSA-N 2 2 264.438 3.416 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CC(C(C)C)C1 ZINC000232551215 287646018 /nfs/dbraw/zinc/64/60/18/287646018.db2.gz SLTVPFPCUYOOOP-UHFFFAOYSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175599 265350970 /nfs/dbraw/zinc/35/09/70/265350970.db2.gz QQMXOHHDMQKNKR-QWRGUYRKSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175599 265350974 /nfs/dbraw/zinc/35/09/74/265350974.db2.gz QQMXOHHDMQKNKR-QWRGUYRKSA-N 2 2 293.461 3.183 20 0 CGADLP CC1(C)CC(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000525859277 270120140 /nfs/dbraw/zinc/12/01/40/270120140.db2.gz NUUDRYLQCGNEIZ-UHFFFAOYSA-N 2 2 287.451 3.072 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000525874471 270120395 /nfs/dbraw/zinc/12/03/95/270120395.db2.gz AIWOXBGKMHGHCO-PBHICJAKSA-N 2 2 280.431 3.495 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CO2 ZINC000527808886 270137794 /nfs/dbraw/zinc/13/77/94/270137794.db2.gz QLVWDHYYUHUSOE-SFHVURJKSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CO2 ZINC000527808886 270137795 /nfs/dbraw/zinc/13/77/95/270137795.db2.gz QLVWDHYYUHUSOE-SFHVURJKSA-N 2 2 298.430 3.069 20 0 CGADLP c1cn(C2CCN(c3[nH+]ccc4ccccc43)CC2)c[nH+]1 ZINC000527872801 270141171 /nfs/dbraw/zinc/14/11/71/270141171.db2.gz XLKLJYLIYSXAPC-UHFFFAOYSA-N 2 2 278.359 3.273 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC12CC2 ZINC000527877468 270141345 /nfs/dbraw/zinc/14/13/45/270141345.db2.gz ZUFYFMBAXNJKKQ-MPGHIAIKSA-N 2 2 299.462 3.385 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849958 270139708 /nfs/dbraw/zinc/13/97/08/270139708.db2.gz JOJJMNRZTVIHJB-ABAIWWIYSA-N 2 2 282.790 3.150 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527849958 270139709 /nfs/dbraw/zinc/13/97/09/270139709.db2.gz JOJJMNRZTVIHJB-ABAIWWIYSA-N 2 2 282.790 3.150 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951951 270146540 /nfs/dbraw/zinc/14/65/40/270146540.db2.gz RYTHXNNTYAQBLF-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527951951 270146541 /nfs/dbraw/zinc/14/65/41/270146541.db2.gz RYTHXNNTYAQBLF-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528001203 270150155 /nfs/dbraw/zinc/15/01/55/270150155.db2.gz LXLPBYMQINKTIA-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528001203 270150156 /nfs/dbraw/zinc/15/01/56/270150156.db2.gz LXLPBYMQINKTIA-CVEARBPZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015062 270151453 /nfs/dbraw/zinc/15/14/53/270151453.db2.gz WYMFBZPRXUXUBE-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015062 270151454 /nfs/dbraw/zinc/15/14/54/270151454.db2.gz WYMFBZPRXUXUBE-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C/C(Cl)=C/C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387742 270163624 /nfs/dbraw/zinc/16/36/24/270163624.db2.gz MXDVLULBXYEFEI-CNTYAEFGSA-N 2 2 256.821 3.079 20 0 CGADLP C/C(Cl)=C/C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387742 270163625 /nfs/dbraw/zinc/16/36/25/270163625.db2.gz MXDVLULBXYEFEI-CNTYAEFGSA-N 2 2 256.821 3.079 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214236 270195857 /nfs/dbraw/zinc/19/58/57/270195857.db2.gz CNCNJGNGTCBAGS-JKSUJKDBSA-N 2 2 274.383 3.077 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530214813 270195878 /nfs/dbraw/zinc/19/58/78/270195878.db2.gz CYPNJHKOLPFCJI-UONOGXRCSA-N 2 2 264.438 3.464 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219785 270196025 /nfs/dbraw/zinc/19/60/25/270196025.db2.gz MWXZLZVHHCSSEG-OAUYIBNBSA-N 2 2 288.410 3.323 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530219648 270196080 /nfs/dbraw/zinc/19/60/80/270196080.db2.gz MIECCFZGBXMWRK-FZMZJTMJSA-N 2 2 264.800 3.275 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2n1 ZINC000530220329 270196226 /nfs/dbraw/zinc/19/62/26/270196226.db2.gz NOUSOKFAHQVMDX-DYVFJYSZSA-N 2 2 281.403 3.170 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530217471 270196359 /nfs/dbraw/zinc/19/63/59/270196359.db2.gz GVZPZCGARSXEKB-GOEBONIOSA-N 2 2 258.409 3.239 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530223740 270196377 /nfs/dbraw/zinc/19/63/77/270196377.db2.gz UZSMESNGWNSXTD-DOTOQJQBSA-N 2 2 286.419 3.083 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530224219 270196610 /nfs/dbraw/zinc/19/66/10/270196610.db2.gz VMCHGVORFUVJFM-RISCZKNCSA-N 2 2 296.361 3.223 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)s1 ZINC000530226303 270197008 /nfs/dbraw/zinc/19/70/08/270197008.db2.gz ZLRGLIAVPSASSA-RISCZKNCSA-N 2 2 264.438 3.300 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000530240995 270197076 /nfs/dbraw/zinc/19/70/76/270197076.db2.gz ANHRIIRAPVFPOT-OAHLLOKOSA-N 2 2 294.414 3.042 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941239 270211127 /nfs/dbraw/zinc/21/11/27/270211127.db2.gz VJXGXPRDNZUTRB-WMLDXEAASA-N 2 2 274.452 3.066 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000531941239 270211128 /nfs/dbraw/zinc/21/11/28/270211128.db2.gz VJXGXPRDNZUTRB-WMLDXEAASA-N 2 2 274.452 3.066 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000531992272 270212345 /nfs/dbraw/zinc/21/23/45/270212345.db2.gz OAJSWCISLXBZGR-BVGQSLNGSA-N 2 2 284.447 3.481 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000531992272 270212346 /nfs/dbraw/zinc/21/23/46/270212346.db2.gz OAJSWCISLXBZGR-BVGQSLNGSA-N 2 2 284.447 3.481 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000532213823 270214194 /nfs/dbraw/zinc/21/41/94/270214194.db2.gz KROCMTBXENUYAI-WCQYABFASA-N 2 2 294.826 3.236 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000532213823 270214195 /nfs/dbraw/zinc/21/41/95/270214195.db2.gz KROCMTBXENUYAI-WCQYABFASA-N 2 2 294.826 3.236 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000129794534 273611931 /nfs/dbraw/zinc/61/19/31/273611931.db2.gz RUTQEKXFLUFDGU-HNNXBMFYSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000188058761 273611945 /nfs/dbraw/zinc/61/19/45/273611945.db2.gz CUIDCWNYYCCOOE-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC2 ZINC000092836201 274137290 /nfs/dbraw/zinc/13/72/90/274137290.db2.gz SOOIWKBUZMROQL-MAUKXSAKSA-N 2 2 290.451 3.248 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000422959519 274960073 /nfs/dbraw/zinc/96/00/73/274960073.db2.gz SKCCRFOSRYMOMO-IXDOHACOSA-N 2 2 298.361 3.384 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000291155966 275063821 /nfs/dbraw/zinc/06/38/21/275063821.db2.gz LNCJHILLPWDAMT-JYJNAYRXSA-N 2 2 267.376 3.145 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000291155966 275063822 /nfs/dbraw/zinc/06/38/22/275063822.db2.gz LNCJHILLPWDAMT-JYJNAYRXSA-N 2 2 267.376 3.145 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000251654705 287835417 /nfs/dbraw/zinc/83/54/17/287835417.db2.gz FTUNIKSAAGBKJS-DJIMGWMZSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000278261903 275688007 /nfs/dbraw/zinc/68/80/07/275688007.db2.gz NTLNXBXCRBEXLL-IRXDYDNUSA-N 2 2 269.392 3.357 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000353987307 276009324 /nfs/dbraw/zinc/00/93/24/276009324.db2.gz OSJYSXBQDWRLQK-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000353987307 276009325 /nfs/dbraw/zinc/00/93/25/276009325.db2.gz OSJYSXBQDWRLQK-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250329637 276179133 /nfs/dbraw/zinc/17/91/33/276179133.db2.gz OIICBQWJWXQGNI-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250329637 276179135 /nfs/dbraw/zinc/17/91/35/276179135.db2.gz OIICBQWJWXQGNI-HOCLYGCPSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000492414962 276243416 /nfs/dbraw/zinc/24/34/16/276243416.db2.gz DAEOKAHOIJERPP-ZTFGCOKTSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000492414962 276243418 /nfs/dbraw/zinc/24/34/18/276243418.db2.gz DAEOKAHOIJERPP-ZTFGCOKTSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000347152703 276252238 /nfs/dbraw/zinc/25/22/38/276252238.db2.gz PAPMZLWADVYPBX-NILFDRSVSA-N 2 2 294.439 3.292 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000347152703 276252239 /nfs/dbraw/zinc/25/22/39/276252239.db2.gz PAPMZLWADVYPBX-NILFDRSVSA-N 2 2 294.439 3.292 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000352604864 276252555 /nfs/dbraw/zinc/25/25/55/276252555.db2.gz DAEOKAHOIJERPP-JCGIZDLHSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000352604864 276252557 /nfs/dbraw/zinc/25/25/57/276252557.db2.gz DAEOKAHOIJERPP-JCGIZDLHSA-N 2 2 272.436 3.302 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000337132916 277139133 /nfs/dbraw/zinc/13/91/33/277139133.db2.gz KNHQTIKALASTQY-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)(C)CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000337132916 277139134 /nfs/dbraw/zinc/13/91/34/277139134.db2.gz KNHQTIKALASTQY-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCCCCF)[C@H]1c1ccccc1 ZINC000289338774 277170823 /nfs/dbraw/zinc/17/08/23/277170823.db2.gz FPCFLIQBCNCBII-JKSUJKDBSA-N 2 2 264.388 3.161 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCCCCF)[C@H]1c1ccccc1 ZINC000289338774 277170824 /nfs/dbraw/zinc/17/08/24/277170824.db2.gz FPCFLIQBCNCBII-JKSUJKDBSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353268722 277616631 /nfs/dbraw/zinc/61/66/31/277616631.db2.gz GISMZEVHJIGXNI-LLVKDONJSA-N 2 2 262.388 3.130 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427885200 277934626 /nfs/dbraw/zinc/93/46/26/277934626.db2.gz ILXKTUKEIIYYFJ-MAUKXSAKSA-N 2 2 299.418 3.193 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178891 288006781 /nfs/dbraw/zinc/00/67/81/288006781.db2.gz MDMAPIWQQWLCHU-PBHICJAKSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178891 288006783 /nfs/dbraw/zinc/00/67/83/288006783.db2.gz MDMAPIWQQWLCHU-PBHICJAKSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000335083387 278139882 /nfs/dbraw/zinc/13/98/82/278139882.db2.gz HULLZABGUCDLSG-GJZGRUSLSA-N 2 2 279.453 3.324 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000335083387 278139884 /nfs/dbraw/zinc/13/98/84/278139884.db2.gz HULLZABGUCDLSG-GJZGRUSLSA-N 2 2 279.453 3.324 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000397234243 288022143 /nfs/dbraw/zinc/02/21/43/288022143.db2.gz AMDAIDWBSKIKLN-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000397234243 288022144 /nfs/dbraw/zinc/02/21/44/288022144.db2.gz AMDAIDWBSKIKLN-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423381363 278250553 /nfs/dbraw/zinc/25/05/53/278250553.db2.gz ZNQKYROPSGCZTJ-GZMMTYOYSA-N 2 2 289.206 3.144 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423178671 278269365 /nfs/dbraw/zinc/26/93/65/278269365.db2.gz CKUXXAZDYTYGKQ-XJKSGUPXSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000036997065 278282890 /nfs/dbraw/zinc/28/28/90/278282890.db2.gz AUDJPNAJVXHOJZ-VBNZEHGJSA-N 2 2 262.372 3.103 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000036997065 278282895 /nfs/dbraw/zinc/28/28/95/278282895.db2.gz AUDJPNAJVXHOJZ-VBNZEHGJSA-N 2 2 262.372 3.103 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000343897730 278283170 /nfs/dbraw/zinc/28/31/70/278283170.db2.gz YSDVCBNHAJARPJ-JKSUJKDBSA-N 2 2 250.430 3.053 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189065615 278544994 /nfs/dbraw/zinc/54/49/94/278544994.db2.gz VSADEESYSVWMRK-OAHLLOKOSA-N 2 2 250.430 3.031 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423318718 278841347 /nfs/dbraw/zinc/84/13/47/278841347.db2.gz ZGEKSQSOSKJTBM-NSHDSACASA-N 2 2 274.330 3.356 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000186980682 278989168 /nfs/dbraw/zinc/98/91/68/278989168.db2.gz OETRKFSZFISLLQ-ZFWWWQNUSA-N 2 2 272.502 3.084 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000302665684 279180160 /nfs/dbraw/zinc/18/01/60/279180160.db2.gz KCVHLJKXOWIUHR-QWRGUYRKSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000302665684 279180162 /nfs/dbraw/zinc/18/01/62/279180162.db2.gz KCVHLJKXOWIUHR-QWRGUYRKSA-N 2 2 266.351 3.023 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000348332640 279280052 /nfs/dbraw/zinc/28/00/52/279280052.db2.gz MKHXAMGGYNRWGP-OIISXLGYSA-N 2 2 260.425 3.037 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000248530631 279336066 /nfs/dbraw/zinc/33/60/66/279336066.db2.gz NFXGWFREBVOISJ-OCCSQVGLSA-N 2 2 266.454 3.500 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000248530631 279336069 /nfs/dbraw/zinc/33/60/69/279336069.db2.gz NFXGWFREBVOISJ-OCCSQVGLSA-N 2 2 266.454 3.500 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427884574 279466164 /nfs/dbraw/zinc/46/61/64/279466164.db2.gz GUBKBXXNKMZWEW-ZBFHGGJFSA-N 2 2 285.366 3.004 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000423242183 279504887 /nfs/dbraw/zinc/50/48/87/279504887.db2.gz IUKSZQOQUMWEJN-MRXNPFEDSA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423183831 279913997 /nfs/dbraw/zinc/91/39/97/279913997.db2.gz HWYDULKIWQKWJU-SWLSCSKDSA-N 2 2 268.351 3.004 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C[N@@H+]1C1CC1 ZINC000132635237 280013053 /nfs/dbraw/zinc/01/30/53/280013053.db2.gz OKRBRWZYISQQEH-SLEUVZQESA-N 2 2 276.449 3.340 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)C[N@H+]1C1CC1 ZINC000132635237 280013057 /nfs/dbraw/zinc/01/30/57/280013057.db2.gz OKRBRWZYISQQEH-SLEUVZQESA-N 2 2 276.449 3.340 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C)c1F ZINC000335785183 280645651 /nfs/dbraw/zinc/64/56/51/280645651.db2.gz ZBROMBMMJUAWMA-UKRRQHHQSA-N 2 2 287.382 3.305 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000422703421 281385923 /nfs/dbraw/zinc/38/59/23/281385923.db2.gz HQXRKANOPOWDPR-LZLYRXPVSA-N 2 2 290.451 3.049 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)C1CCOCC1 ZINC000531718199 288342679 /nfs/dbraw/zinc/34/26/79/288342679.db2.gz ODEGWJXDYIXESA-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)C1CCOCC1 ZINC000531718199 288342681 /nfs/dbraw/zinc/34/26/81/288342681.db2.gz ODEGWJXDYIXESA-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000531719335 288342883 /nfs/dbraw/zinc/34/28/83/288342883.db2.gz VGHKWPBIXAUXNV-INIZCTEOSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000532194754 288354573 /nfs/dbraw/zinc/35/45/73/288354573.db2.gz QIPURBXDLDVKHX-RHSMWYFYSA-N 2 2 269.392 3.186 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000334589064 282052184 /nfs/dbraw/zinc/05/21/84/282052184.db2.gz FEDCTPWBMXEPFT-MRXNPFEDSA-N 2 2 278.827 3.353 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1cscn1)[NH+]1CCCCC1 ZINC000542487547 288754833 /nfs/dbraw/zinc/75/48/33/288754833.db2.gz LVWKMFAMLJWQNO-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549196664 289037517 /nfs/dbraw/zinc/03/75/17/289037517.db2.gz RFELWTPMKKJQHJ-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549196664 289037521 /nfs/dbraw/zinc/03/75/21/289037521.db2.gz RFELWTPMKKJQHJ-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000550954916 289092963 /nfs/dbraw/zinc/09/29/63/289092963.db2.gz MGXRGQKFKBLIOX-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000550954916 289092966 /nfs/dbraw/zinc/09/29/66/289092966.db2.gz MGXRGQKFKBLIOX-SFHVURJKSA-N 2 2 294.483 3.001 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000551085666 289098658 /nfs/dbraw/zinc/09/86/58/289098658.db2.gz FBNUNLDLUAYZCF-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000551085666 289098661 /nfs/dbraw/zinc/09/86/61/289098661.db2.gz FBNUNLDLUAYZCF-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000551542900 289121728 /nfs/dbraw/zinc/12/17/28/289121728.db2.gz NUBXXHUSWKEPCO-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000551542900 289121730 /nfs/dbraw/zinc/12/17/30/289121730.db2.gz NUBXXHUSWKEPCO-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cscn1 ZINC000551914192 289139139 /nfs/dbraw/zinc/13/91/39/289139139.db2.gz DNOMWEMSNULTQU-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554049627 289253503 /nfs/dbraw/zinc/25/35/03/289253503.db2.gz URAAGTZCKNPTSY-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554049627 289253505 /nfs/dbraw/zinc/25/35/05/289253505.db2.gz URAAGTZCKNPTSY-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725515 289305211 /nfs/dbraw/zinc/30/52/11/289305211.db2.gz QTTJKEUMHGRMBQ-MANSERQUSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000554725515 289305213 /nfs/dbraw/zinc/30/52/13/289305213.db2.gz QTTJKEUMHGRMBQ-MANSERQUSA-N 2 2 284.447 3.429 20 0 CGADLP CC1=CC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000556812146 289410222 /nfs/dbraw/zinc/41/02/22/289410222.db2.gz PFSDNVBAOMMDTK-INIZCTEOSA-N 2 2 267.376 3.461 20 0 CGADLP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266056 289580833 /nfs/dbraw/zinc/58/08/33/289580833.db2.gz DINLGAMKNYGNTH-HUUCEWRRSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2n1 ZINC000424382133 290005872 /nfs/dbraw/zinc/00/58/72/290005872.db2.gz ZWFVJMIYJXUPTK-DXCKQFNASA-N 2 2 269.392 3.155 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653545 290255830 /nfs/dbraw/zinc/25/58/30/290255830.db2.gz SKHZHWGZOGEFDN-TZMCWYRMSA-N 2 2 280.362 3.209 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653545 290255831 /nfs/dbraw/zinc/25/58/31/290255831.db2.gz SKHZHWGZOGEFDN-TZMCWYRMSA-N 2 2 280.362 3.209 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c2ccccc12 ZINC000423376800 295238002 /nfs/dbraw/zinc/23/80/02/295238002.db2.gz YPPCFVDOFYLPEK-QWQRMKEZSA-N 2 2 298.430 3.497 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@]2(F)c2ccccc2)c2ccccc21 ZINC000424377763 295325668 /nfs/dbraw/zinc/32/56/68/295325668.db2.gz RUFDRAYGHNZRSP-XDNAFOTISA-N 2 2 282.362 3.358 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335566534 295332889 /nfs/dbraw/zinc/33/28/89/295332889.db2.gz USSLIFTUIFQABF-ROUUACIJSA-N 3 2 293.499 3.033 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000443214204 302209074 /nfs/dbraw/zinc/20/90/74/302209074.db2.gz KJJKONVIMWYNLU-FZCLSBEQSA-N 2 2 290.451 3.143 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000155731226 321768115 /nfs/dbraw/zinc/76/81/15/321768115.db2.gz LAPWXWCSBRUDGB-CQSZACIVSA-N 2 2 295.333 3.225 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)n1C ZINC000563439641 321998386 /nfs/dbraw/zinc/99/83/86/321998386.db2.gz HCILUVVTVNFCMM-UHFFFAOYSA-N 2 2 279.334 3.032 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000563622560 322004331 /nfs/dbraw/zinc/00/43/31/322004331.db2.gz HFROSYZXUTWSCX-SQNIBIBYSA-N 2 2 290.426 3.174 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000563622560 322004333 /nfs/dbraw/zinc/00/43/33/322004333.db2.gz HFROSYZXUTWSCX-SQNIBIBYSA-N 2 2 290.426 3.174 20 0 CGADLP COc1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000563672993 322006403 /nfs/dbraw/zinc/00/64/03/322006403.db2.gz HKLKLHFIPXCBSY-ZDUSSCGKSA-N 2 2 297.402 3.140 20 0 CGADLP COc1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000563672993 322006406 /nfs/dbraw/zinc/00/64/06/322006406.db2.gz HKLKLHFIPXCBSY-ZDUSSCGKSA-N 2 2 297.402 3.140 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000564646172 322037167 /nfs/dbraw/zinc/03/71/67/322037167.db2.gz KFQIZHPJRBKYMI-KRWDZBQOSA-N 2 2 276.424 3.078 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]CCC(C)(C)C)cc1 ZINC000564671761 322038609 /nfs/dbraw/zinc/03/86/09/322038609.db2.gz HKSKYGRANSKQPV-MRXNPFEDSA-N 2 2 278.440 3.324 20 0 CGADLP COCC1(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000565303000 322072463 /nfs/dbraw/zinc/07/24/63/322072463.db2.gz KDAWAHOZBHCGTD-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP COc1cccc2c(NC[C@@H]3CC[N@@H+](C(C)C)C3)cc[nH+]c12 ZINC000565518562 322080814 /nfs/dbraw/zinc/08/08/14/322080814.db2.gz HHZZZDLWQJEULO-AWEZNQCLSA-N 2 2 299.418 3.386 20 0 CGADLP COc1cccc2c(NC[C@@H]3CC[N@H+](C(C)C)C3)cc[nH+]c12 ZINC000565518562 322080816 /nfs/dbraw/zinc/08/08/16/322080816.db2.gz HHZZZDLWQJEULO-AWEZNQCLSA-N 2 2 299.418 3.386 20 0 CGADLP COCC[N@H+](CCc1cc[nH+]cc1C)C[C@H]1CC=CCC1 ZINC000565597652 322082980 /nfs/dbraw/zinc/08/29/80/322082980.db2.gz VWQQURZVLBTRNX-KRWDZBQOSA-N 2 2 288.435 3.237 20 0 CGADLP COCC[N@@H+](CCc1cc[nH+]cc1C)C[C@H]1CC=CCC1 ZINC000565597652 322082982 /nfs/dbraw/zinc/08/29/82/322082982.db2.gz VWQQURZVLBTRNX-KRWDZBQOSA-N 2 2 288.435 3.237 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000565720263 322088574 /nfs/dbraw/zinc/08/85/74/322088574.db2.gz OQUJEBQHOUUZHT-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000565720263 322088575 /nfs/dbraw/zinc/08/85/75/322088575.db2.gz OQUJEBQHOUUZHT-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1Cl ZINC000566084767 322103558 /nfs/dbraw/zinc/10/35/58/322103558.db2.gz OEQRLSJSJVGXCU-GFCCVEGCSA-N 2 2 278.787 3.063 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624444 322170736 /nfs/dbraw/zinc/17/07/36/322170736.db2.gz PITQMBZMJOCIGF-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624444 322170739 /nfs/dbraw/zinc/17/07/39/322170739.db2.gz PITQMBZMJOCIGF-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624444 322170741 /nfs/dbraw/zinc/17/07/41/322170741.db2.gz PITQMBZMJOCIGF-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nsc2C)C[C@H]1C ZINC000567624444 322170743 /nfs/dbraw/zinc/17/07/43/322170743.db2.gz PITQMBZMJOCIGF-RISCZKNCSA-N 2 2 281.469 3.065 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000567718032 322174951 /nfs/dbraw/zinc/17/49/51/322174951.db2.gz LEXFRXQGPFVAHS-MRXNPFEDSA-N 2 2 266.473 3.475 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000567718032 322174953 /nfs/dbraw/zinc/17/49/53/322174953.db2.gz LEXFRXQGPFVAHS-MRXNPFEDSA-N 2 2 266.473 3.475 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1 ZINC000568033555 322188904 /nfs/dbraw/zinc/18/89/04/322188904.db2.gz QQIGAKYQYMTSCV-CJNGLKHVSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000568033555 322188906 /nfs/dbraw/zinc/18/89/06/322188906.db2.gz QQIGAKYQYMTSCV-CJNGLKHVSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000568033555 322188908 /nfs/dbraw/zinc/18/89/08/322188908.db2.gz QQIGAKYQYMTSCV-CJNGLKHVSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1 ZINC000568033555 322188911 /nfs/dbraw/zinc/18/89/11/322188911.db2.gz QQIGAKYQYMTSCV-CJNGLKHVSA-N 2 2 280.843 3.420 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000568736791 322220482 /nfs/dbraw/zinc/22/04/82/322220482.db2.gz APGDFSSQQUZIRI-PYBGIAKNSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000568736791 322220483 /nfs/dbraw/zinc/22/04/83/322220483.db2.gz APGDFSSQQUZIRI-PYBGIAKNSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H](C)O)[NH2+][C@H](C)c1ccccc1 ZINC000568990359 322230454 /nfs/dbraw/zinc/23/04/54/322230454.db2.gz BLBZYPKJPFQQTM-YFHUEUNASA-N 2 2 292.467 3.111 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569221935 322239866 /nfs/dbraw/zinc/23/98/66/322239866.db2.gz KPTUJSKQWXFTPD-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569221935 322239869 /nfs/dbraw/zinc/23/98/69/322239869.db2.gz KPTUJSKQWXFTPD-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463119 322248081 /nfs/dbraw/zinc/24/80/81/322248081.db2.gz KOSQGKJCJRMFFX-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1Cl ZINC000569463119 322248083 /nfs/dbraw/zinc/24/80/83/322248083.db2.gz KOSQGKJCJRMFFX-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000570293874 322270232 /nfs/dbraw/zinc/27/02/32/322270232.db2.gz RMLJESMSIBJISU-IRXDYDNUSA-N 2 2 283.419 3.230 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570556232 322276395 /nfs/dbraw/zinc/27/63/95/322276395.db2.gz WRTHCRHWNYKRQQ-GOEBONIOSA-N 2 2 283.419 3.126 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570556232 322276396 /nfs/dbraw/zinc/27/63/96/322276396.db2.gz WRTHCRHWNYKRQQ-GOEBONIOSA-N 2 2 283.419 3.126 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000571469470 322299698 /nfs/dbraw/zinc/29/96/98/322299698.db2.gz YBBOAQFVHJUOHX-HZPDHXFCSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056475 322317778 /nfs/dbraw/zinc/31/77/78/322317778.db2.gz ZZUOSVMTFODWPB-GOEBONIOSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056475 322317780 /nfs/dbraw/zinc/31/77/80/322317780.db2.gz ZZUOSVMTFODWPB-GOEBONIOSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491450 329097658 /nfs/dbraw/zinc/09/76/58/329097658.db2.gz ATHHFDDBYLKTRY-KCMWZYNZSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000582491450 329097660 /nfs/dbraw/zinc/09/76/60/329097660.db2.gz ATHHFDDBYLKTRY-KCMWZYNZSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000395177487 329278375 /nfs/dbraw/zinc/27/83/75/329278375.db2.gz CNPYWUYVFBIJOK-JKSUJKDBSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000395177487 329278376 /nfs/dbraw/zinc/27/83/76/329278376.db2.gz CNPYWUYVFBIJOK-JKSUJKDBSA-N 2 2 278.827 3.365 20 0 CGADLP CC(C)n1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000582898964 329282924 /nfs/dbraw/zinc/28/29/24/329282924.db2.gz GIYCDEVBVNKYPK-WMZOPIPTSA-N 2 2 298.434 3.047 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378214 329306984 /nfs/dbraw/zinc/30/69/84/329306984.db2.gz BGHPVFVJSAWPRA-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378214 329306985 /nfs/dbraw/zinc/30/69/85/329306985.db2.gz BGHPVFVJSAWPRA-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378214 329306987 /nfs/dbraw/zinc/30/69/87/329306987.db2.gz BGHPVFVJSAWPRA-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378214 329306990 /nfs/dbraw/zinc/30/69/90/329306990.db2.gz BGHPVFVJSAWPRA-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000580417901 329571956 /nfs/dbraw/zinc/57/19/56/329571956.db2.gz NTCZADNGXQQAED-WFASDCNBSA-N 2 2 293.480 3.421 20 0 CGADLP Cc1ccc(C)c([C@@H]([NH2+][C@H](C)C[NH3+])c2ccccc2)c1 ZINC000423332648 533712271 /nfs/dbraw/zinc/71/22/71/533712271.db2.gz QWJKOFDZYKZTER-QAPCUYQASA-N 2 2 268.404 3.330 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000576161249 335162813 /nfs/dbraw/zinc/16/28/13/335162813.db2.gz XIILTNOOKVHHDH-ZFWWWQNUSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000576161249 335162814 /nfs/dbraw/zinc/16/28/14/335162814.db2.gz XIILTNOOKVHHDH-ZFWWWQNUSA-N 2 2 255.365 3.099 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000576447791 335204259 /nfs/dbraw/zinc/20/42/59/335204259.db2.gz FSRZCTUSGYPJBK-AWEZNQCLSA-N 2 2 278.415 3.477 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000576447791 335204260 /nfs/dbraw/zinc/20/42/60/335204260.db2.gz FSRZCTUSGYPJBK-AWEZNQCLSA-N 2 2 278.415 3.477 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@H+](C)Cc1ccccc1 ZINC000576479874 335210268 /nfs/dbraw/zinc/21/02/68/335210268.db2.gz IRZDDAUVAFEADJ-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+](C)Cc1ccccc1 ZINC000576479874 335210269 /nfs/dbraw/zinc/21/02/69/335210269.db2.gz IRZDDAUVAFEADJ-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000577125211 335305041 /nfs/dbraw/zinc/30/50/41/335305041.db2.gz OALLSULWXGVNAA-STQMWFEESA-N 2 2 261.413 3.216 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000577125211 335305042 /nfs/dbraw/zinc/30/50/42/335305042.db2.gz OALLSULWXGVNAA-STQMWFEESA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000577170032 335313760 /nfs/dbraw/zinc/31/37/60/335313760.db2.gz UJRVVKFROIHVFT-CZUORRHYSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(F)c1 ZINC000577170032 335313761 /nfs/dbraw/zinc/31/37/61/335313761.db2.gz UJRVVKFROIHVFT-CZUORRHYSA-N 2 2 264.388 3.208 20 0 CGADLP CC(C)OCc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000577170884 335314152 /nfs/dbraw/zinc/31/41/52/335314152.db2.gz MIMQXGWINBUOQM-CRAIPNDOSA-N 2 2 290.451 3.232 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000577173151 335315570 /nfs/dbraw/zinc/31/55/70/335315570.db2.gz ABHCCCYSJOSXQW-ZVZYQTTQSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3Cl)CC2)n1C ZINC000580660864 335315731 /nfs/dbraw/zinc/31/57/31/335315731.db2.gz WIRWFYXLHWCOJF-UHFFFAOYSA-N 2 2 289.810 3.203 20 0 CGADLP Clc1c[nH+]ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000176752396 335329334 /nfs/dbraw/zinc/32/93/34/335329334.db2.gz RMCKUCIBUOEUOS-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000195685846 336058426 /nfs/dbraw/zinc/05/84/26/336058426.db2.gz ICVUNXGLGBFGRC-NJAFHUGGSA-N 2 2 274.452 3.328 20 0 CGADLP c1csc(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000076892486 501087381 /nfs/dbraw/zinc/08/73/81/501087381.db2.gz UFRCEBKEOZEHHW-UHFFFAOYSA-N 2 2 298.415 3.051 20 0 CGADLP COc1cccc2c(C[N@@H+]3CC[NH+]4CCC3CC4)cccc12 ZINC000449326015 533833547 /nfs/dbraw/zinc/83/35/47/533833547.db2.gz RKOHZBROYVAKCS-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP COc1cccc2c(C[N@H+]3CC[NH+]4CCC3CC4)cccc12 ZINC000449326015 533833554 /nfs/dbraw/zinc/83/35/54/533833554.db2.gz RKOHZBROYVAKCS-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C2CC2)c1 ZINC000414125903 533875560 /nfs/dbraw/zinc/87/55/60/533875560.db2.gz NKMBFOPYVMAALM-ZDUSSCGKSA-N 2 2 269.392 3.191 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@H]3C)oc21 ZINC000423371862 533910535 /nfs/dbraw/zinc/91/05/35/533910535.db2.gz VICSOZSYYIJQFT-MBNYWOFBSA-N 2 2 288.391 3.090 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc2ccccc2o1 ZINC000423373206 533992896 /nfs/dbraw/zinc/99/28/96/533992896.db2.gz WKLVXFZKQCVDDM-MBNYWOFBSA-N 2 2 258.365 3.081 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000414223505 534109157 /nfs/dbraw/zinc/10/91/57/534109157.db2.gz QDOQROIFRBJDHW-IMJJTQAJSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000414223505 534109162 /nfs/dbraw/zinc/10/91/62/534109162.db2.gz QDOQROIFRBJDHW-IMJJTQAJSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354892 534134503 /nfs/dbraw/zinc/13/45/03/534134503.db2.gz SJUADOKUFFLKHS-HIFRSBDPSA-N 2 2 282.378 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000449354892 534134511 /nfs/dbraw/zinc/13/45/11/534134511.db2.gz SJUADOKUFFLKHS-HIFRSBDPSA-N 2 2 282.378 3.457 20 0 CGADLP CSc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000438846619 534203265 /nfs/dbraw/zinc/20/32/65/534203265.db2.gz BXAQQTWURIGKKX-NWDGAFQWSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000438846619 534203269 /nfs/dbraw/zinc/20/32/69/534203269.db2.gz BXAQQTWURIGKKX-NWDGAFQWSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000438846619 534203274 /nfs/dbraw/zinc/20/32/74/534203274.db2.gz BXAQQTWURIGKKX-NWDGAFQWSA-N 2 2 284.494 3.385 20 0 CGADLP CSc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000438846619 534203277 /nfs/dbraw/zinc/20/32/77/534203277.db2.gz BXAQQTWURIGKKX-NWDGAFQWSA-N 2 2 284.494 3.385 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000449377148 534381916 /nfs/dbraw/zinc/38/19/16/534381916.db2.gz RHYXBQXEAIRAQF-UHFFFAOYSA-N 2 2 290.373 3.493 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232014 534451616 /nfs/dbraw/zinc/45/16/16/534451616.db2.gz BSOKASVCARCBJY-QZTJIDSGSA-N 2 2 296.414 3.498 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310095 520882397 /nfs/dbraw/zinc/88/23/97/520882397.db2.gz XITBUNKBFCMLOT-GDBMZVCRSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310095 520882402 /nfs/dbraw/zinc/88/24/02/520882402.db2.gz XITBUNKBFCMLOT-GDBMZVCRSA-N 2 2 261.413 3.197 20 0 CGADLP Fc1cccc2[nH]c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc21 ZINC000437692017 534527568 /nfs/dbraw/zinc/52/75/68/534527568.db2.gz KGNCLRPDVKGTQV-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000437170400 534644840 /nfs/dbraw/zinc/64/48/40/534644840.db2.gz HRRMXUSXXZUKOT-JTQLQIEISA-N 2 2 273.207 3.083 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CC(C)(F)C2)n1-c1ccccc1 ZINC000449369798 534738807 /nfs/dbraw/zinc/73/88/07/534738807.db2.gz GEHNZTYFAVKYDU-UHFFFAOYSA-N 2 2 273.355 3.161 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000049554223 524167431 /nfs/dbraw/zinc/16/74/31/524167431.db2.gz ICPYIJQOCHFXRE-GHMZBOCLSA-N 2 2 272.795 3.470 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCO1 ZINC000436472308 534813978 /nfs/dbraw/zinc/81/39/78/534813978.db2.gz ZWGGXCDYWYVBAQ-MFQJDOPTSA-N 2 2 291.439 3.055 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cc1Cl ZINC000261562672 525415298 /nfs/dbraw/zinc/41/52/98/525415298.db2.gz BMLMSAOMWUKNCT-MRVPVSSYSA-N 2 2 261.196 3.381 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000054764731 525552248 /nfs/dbraw/zinc/55/22/48/525552248.db2.gz DMOJUJVGGWVDGZ-SECBINFHSA-N 2 2 269.270 3.279 20 0 CGADLP Cc1ccc([C@@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1 ZINC000157270232 525766802 /nfs/dbraw/zinc/76/68/02/525766802.db2.gz FAIZDJQJWBVZLO-MRXNPFEDSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1ncsc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000088868753 527511194 /nfs/dbraw/zinc/51/11/94/527511194.db2.gz WUNOYDDIWLRRTI-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1ncsc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000088868753 527511201 /nfs/dbraw/zinc/51/12/01/527511201.db2.gz WUNOYDDIWLRRTI-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP CC(C)(C)C1CC([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000436469076 527629402 /nfs/dbraw/zinc/62/94/02/527629402.db2.gz WCNJDHFSWZMXPK-UHFFFAOYSA-N 2 2 271.408 3.291 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000311495676 527635432 /nfs/dbraw/zinc/63/54/32/527635432.db2.gz OEUAYJQPHSXYHP-GPANFISMSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000311495676 527635433 /nfs/dbraw/zinc/63/54/33/527635433.db2.gz OEUAYJQPHSXYHP-GPANFISMSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423302783 527874098 /nfs/dbraw/zinc/87/40/98/527874098.db2.gz KNTUNLQJBHFSEP-IAOVAPTHSA-N 2 2 258.409 3.213 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)s1 ZINC000449176532 528172957 /nfs/dbraw/zinc/17/29/57/528172957.db2.gz NBDQSCNOMKDWSZ-LSDHHAIUSA-N 2 2 295.496 3.442 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423264714 528311325 /nfs/dbraw/zinc/31/13/25/528311325.db2.gz QERXPKOOSGMGBB-ZFWWWQNUSA-N 2 2 271.408 3.259 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000423251334 528334536 /nfs/dbraw/zinc/33/45/36/528334536.db2.gz VYUOLPOTPACEQM-GFCCVEGCSA-N 2 2 276.380 3.092 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000423249142 528335140 /nfs/dbraw/zinc/33/51/40/528335140.db2.gz RQCRISVRIXZAAR-AWEZNQCLSA-N 2 2 254.805 3.236 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423383456 528421890 /nfs/dbraw/zinc/42/18/90/528421890.db2.gz PDTRNLGCBAISPM-BEFAXECRSA-N 2 2 298.430 3.372 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423374092 528422061 /nfs/dbraw/zinc/42/20/61/528422061.db2.gz HRFYRGUOJVRXJN-MNOVXSKESA-N 2 2 285.229 3.098 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423379524 528422186 /nfs/dbraw/zinc/42/21/86/528422186.db2.gz MAVBUFYRLMUDDL-MNOVXSKESA-N 2 2 270.417 3.196 20 0 CGADLP CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368513402 528472340 /nfs/dbraw/zinc/47/23/40/528472340.db2.gz DJCOUOVIIILLHV-CQSZACIVSA-N 2 2 261.413 3.199 20 0 CGADLP CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368513402 528472342 /nfs/dbraw/zinc/47/23/42/528472342.db2.gz DJCOUOVIIILLHV-CQSZACIVSA-N 2 2 261.413 3.199 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423263552 528519682 /nfs/dbraw/zinc/51/96/82/528519682.db2.gz OTQMOJFRWYBHQV-TZMCWYRMSA-N 2 2 264.413 3.256 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423260234 528520005 /nfs/dbraw/zinc/52/00/05/528520005.db2.gz HAGHCCJPTDATMN-UKRRQHHQSA-N 2 2 271.408 3.259 20 0 CGADLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1occc1C ZINC000412024264 528585551 /nfs/dbraw/zinc/58/55/51/528585551.db2.gz FMLGSSBUZNYLHZ-HNNXBMFYSA-N 2 2 264.413 3.284 20 0 CGADLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1occc1C ZINC000412024264 528585558 /nfs/dbraw/zinc/58/55/58/528585558.db2.gz FMLGSSBUZNYLHZ-HNNXBMFYSA-N 2 2 264.413 3.284 20 0 CGADLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1occc1C ZINC000412024264 528585561 /nfs/dbraw/zinc/58/55/61/528585561.db2.gz FMLGSSBUZNYLHZ-HNNXBMFYSA-N 2 2 264.413 3.284 20 0 CGADLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1occc1C ZINC000412024264 528585564 /nfs/dbraw/zinc/58/55/64/528585564.db2.gz FMLGSSBUZNYLHZ-HNNXBMFYSA-N 2 2 264.413 3.284 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000423234217 528689659 /nfs/dbraw/zinc/68/96/59/528689659.db2.gz LMJRZBWMPFBYMT-CQSZACIVSA-N 2 2 264.413 3.126 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc21 ZINC000423277453 528698809 /nfs/dbraw/zinc/69/88/09/528698809.db2.gz OCOPRRHSDDABAO-RISCZKNCSA-N 2 2 288.391 3.219 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc21 ZINC000423281104 528698987 /nfs/dbraw/zinc/69/89/87/528698987.db2.gz UUDSGCFVOVYVMY-TZMCWYRMSA-N 2 2 290.407 3.465 20 0 CGADLP CC(F)(F)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449354618 528730340 /nfs/dbraw/zinc/73/03/40/528730340.db2.gz PSTLTTXSXCNLKC-UHFFFAOYSA-N 2 2 288.304 3.038 20 0 CGADLP CCCn1c2ccccc2[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424725226 528824029 /nfs/dbraw/zinc/82/40/29/528824029.db2.gz RTXNPPCAGWOPPB-UHFFFAOYSA-N 2 2 297.406 3.258 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000423299169 528824028 /nfs/dbraw/zinc/82/40/28/528824028.db2.gz PNUCVGMXJMRJGF-OCCSQVGLSA-N 2 2 281.419 3.060 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1sc(CC)nc1C ZINC000423304943 528956515 /nfs/dbraw/zinc/95/65/15/528956515.db2.gz ZSJIVSFMBNKIHB-ZYHUDNBSSA-N 2 2 269.458 3.182 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(Cl)c1F ZINC000423289326 529155431 /nfs/dbraw/zinc/15/54/31/529155431.db2.gz WTQRCWJKNXRQKN-LLVKDONJSA-N 2 2 258.768 3.257 20 0 CGADLP CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358150632 529220498 /nfs/dbraw/zinc/22/04/98/529220498.db2.gz DXMMFZJNAIVIBN-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488448959 535305905 /nfs/dbraw/zinc/30/59/05/535305905.db2.gz MLWCKUFDYJYZCG-RBSFLKMASA-N 2 2 286.529 3.473 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000515704436 535377182 /nfs/dbraw/zinc/37/71/82/535377182.db2.gz ZGWHCZJFFCSTAF-CYBMUJFWSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000515704436 535377183 /nfs/dbraw/zinc/37/71/83/535377183.db2.gz ZGWHCZJFFCSTAF-CYBMUJFWSA-N 2 2 281.469 3.086 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC000459568736 536362735 /nfs/dbraw/zinc/36/27/35/536362735.db2.gz XTEZDAKWTMPGHJ-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC000459568736 536362737 /nfs/dbraw/zinc/36/27/37/536362737.db2.gz XTEZDAKWTMPGHJ-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000519368847 572333442 /nfs/dbraw/zinc/33/34/42/572333442.db2.gz AISFCQYYFUXSPR-VIBAHUMZSA-N 2 2 272.436 3.456 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000742388470 572352677 /nfs/dbraw/zinc/35/26/77/572352677.db2.gz VMVYKYMKSLKDFI-UGEDRFTOSA-N 2 2 258.409 3.164 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000742388470 572352681 /nfs/dbraw/zinc/35/26/81/572352681.db2.gz VMVYKYMKSLKDFI-UGEDRFTOSA-N 2 2 258.409 3.164 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000731450670 572412988 /nfs/dbraw/zinc/41/29/88/572412988.db2.gz RSEKUGSZLADMCQ-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000731450670 572412991 /nfs/dbraw/zinc/41/29/91/572412991.db2.gz RSEKUGSZLADMCQ-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000742371793 572569565 /nfs/dbraw/zinc/56/95/65/572569565.db2.gz DLEIZLNWTQVTDH-MUQADHOPSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000742371793 572569570 /nfs/dbraw/zinc/56/95/70/572569570.db2.gz DLEIZLNWTQVTDH-MUQADHOPSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H]([NH2+]Cc1ccoc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393659 572575805 /nfs/dbraw/zinc/57/58/05/572575805.db2.gz ZLCKBUSTKCKJIF-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000744395353 572748996 /nfs/dbraw/zinc/74/89/96/572748996.db2.gz WBVXUNHMRGUIGF-KZNAEPCWSA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000744395353 572749001 /nfs/dbraw/zinc/74/90/01/572749001.db2.gz WBVXUNHMRGUIGF-KZNAEPCWSA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccns1 ZINC000926140046 618166584 /nfs/dbraw/zinc/16/65/84/618166584.db2.gz AACSBYKTNJKNSO-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)[nH]1 ZINC000891725207 618263189 /nfs/dbraw/zinc/26/31/89/618263189.db2.gz NLLFFLLIAPYYJU-INIZCTEOSA-N 2 2 297.402 3.114 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)[nH]1 ZINC000891725207 618263201 /nfs/dbraw/zinc/26/32/01/618263201.db2.gz NLLFFLLIAPYYJU-INIZCTEOSA-N 2 2 297.402 3.114 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000891845028 618335616 /nfs/dbraw/zinc/33/56/16/618335616.db2.gz MOXHWWZRNAQQAV-UHFFFAOYSA-N 2 2 298.434 3.383 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000121758964 618562898 /nfs/dbraw/zinc/56/28/98/618562898.db2.gz YSOVYHFGDBBWQU-QLFBSQMISA-N 2 2 261.413 3.078 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000934290997 618578085 /nfs/dbraw/zinc/57/80/85/618578085.db2.gz JROBBSNIUGREQI-INIZCTEOSA-N 2 2 286.423 3.354 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1csnn1 ZINC000926590058 618755481 /nfs/dbraw/zinc/75/54/81/618755481.db2.gz KDUOPNIUPHZJOX-VXGBXAGGSA-N 2 2 290.436 3.012 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1coc2ccccc12 ZINC000924532128 618795607 /nfs/dbraw/zinc/79/56/07/618795607.db2.gz BFSGNBHIDBXAIB-ZDUSSCGKSA-N 2 2 269.348 3.370 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)CC(F)F ZINC000926843354 618932312 /nfs/dbraw/zinc/93/23/12/618932312.db2.gz WAXAGWPFMYCHCK-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)CC(F)F ZINC000926843354 618932313 /nfs/dbraw/zinc/93/23/13/618932313.db2.gz WAXAGWPFMYCHCK-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000925681017 619129280 /nfs/dbraw/zinc/12/92/80/619129280.db2.gz MCXBSMWHHRNHQT-UHTWSYAYSA-N 2 2 287.234 3.248 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925772843 619233823 /nfs/dbraw/zinc/23/38/23/619233823.db2.gz VFFQZSIVLFLCCC-KGYLQXTDSA-N 2 2 284.856 3.268 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000894178401 619406803 /nfs/dbraw/zinc/40/68/03/619406803.db2.gz HHJTUBBKISWKHC-HNNXBMFYSA-N 2 2 298.434 3.074 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000894178401 619406805 /nfs/dbraw/zinc/40/68/05/619406805.db2.gz HHJTUBBKISWKHC-HNNXBMFYSA-N 2 2 298.434 3.074 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000925041241 619507782 /nfs/dbraw/zinc/50/77/82/619507782.db2.gz JJAGTPGRDAVHBC-WMZOPIPTSA-N 2 2 289.467 3.114 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000925041241 619507784 /nfs/dbraw/zinc/50/77/84/619507784.db2.gz JJAGTPGRDAVHBC-WMZOPIPTSA-N 2 2 289.467 3.114 20 0 CGADLP CSCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000894475950 619548998 /nfs/dbraw/zinc/54/89/98/619548998.db2.gz KZLPIEHNARBLRI-UHFFFAOYSA-N 2 2 289.448 3.268 20 0 CGADLP CSCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000894475950 619549006 /nfs/dbraw/zinc/54/90/06/619549006.db2.gz KZLPIEHNARBLRI-UHFFFAOYSA-N 2 2 289.448 3.268 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccs2)c2cccc[nH+]2)CC1 ZINC000895111642 619734770 /nfs/dbraw/zinc/73/47/70/619734770.db2.gz QWWFLWCMKHOBSY-HDJSIYSDSA-N 2 2 287.432 3.420 20 0 CGADLP CC1(C)CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895112243 619735754 /nfs/dbraw/zinc/73/57/54/619735754.db2.gz PNIXLOUYZMQCHQ-HDJSIYSDSA-N 2 2 273.424 3.347 20 0 CGADLP FC(F)C1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000895706434 619873370 /nfs/dbraw/zinc/87/33/70/619873370.db2.gz KQGNKWUSNRIVNV-YMAMQOFZSA-N 2 2 291.345 3.258 20 0 CGADLP C(=C\c1ccccc1)\C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981783 620462178 /nfs/dbraw/zinc/46/21/78/620462178.db2.gz QIFCJFYRQJTHRT-YVMONPNESA-N 2 2 270.420 3.306 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897983064 620462272 /nfs/dbraw/zinc/46/22/72/620462272.db2.gz XJQYBYUUEXDXLE-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109974 620578056 /nfs/dbraw/zinc/57/80/56/620578056.db2.gz PHEXOOYDFQZDEA-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927109974 620578057 /nfs/dbraw/zinc/57/80/57/620578057.db2.gz PHEXOOYDFQZDEA-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)cc1F ZINC000902413946 621323888 /nfs/dbraw/zinc/32/38/88/621323888.db2.gz PZTMWVQCBZOTHF-CYBMUJFWSA-N 2 2 270.779 3.257 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)ccc1F ZINC000902464842 621337518 /nfs/dbraw/zinc/33/75/18/621337518.db2.gz DEQHIEDWCSSULE-SVGFKBNWSA-N 2 2 274.383 3.068 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(Cl)c1 ZINC000902467913 621339627 /nfs/dbraw/zinc/33/96/27/621339627.db2.gz RMIGDAHADSJGRZ-BYNSBNAKSA-N 2 2 264.800 3.274 20 0 CGADLP C[C@H]([NH2+]CCCOCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902729621 621415120 /nfs/dbraw/zinc/41/51/20/621415120.db2.gz JYYNPAAAIWBFTJ-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902967155 621501671 /nfs/dbraw/zinc/50/16/71/621501671.db2.gz PRTUAHREIUWFSE-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902962917 621507181 /nfs/dbraw/zinc/50/71/81/621507181.db2.gz BZSVJKKYAQIXJO-HDMKZQKVSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902988766 621513652 /nfs/dbraw/zinc/51/36/52/621513652.db2.gz WZJGCCBRNBSWAZ-HLLBOEOZSA-N 2 2 299.418 3.196 20 0 CGADLP CO[C@](C)(C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902997785 621523429 /nfs/dbraw/zinc/52/34/29/621523429.db2.gz ZZRLDGKEOVSGBE-RDTXWAMCSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006113 621529140 /nfs/dbraw/zinc/52/91/40/621529140.db2.gz DBPYPPKZDPURJP-CJNGLKHVSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063971 621552204 /nfs/dbraw/zinc/55/22/04/621552204.db2.gz KMXXELJVCMOOHP-HOTGVXAUSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903319198 621674442 /nfs/dbraw/zinc/67/44/42/621674442.db2.gz TUNUJYBXCTVBGW-VKSUQKOCSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903319198 621674445 /nfs/dbraw/zinc/67/44/45/621674445.db2.gz TUNUJYBXCTVBGW-VKSUQKOCSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1C[NH3+] ZINC000903424917 621751396 /nfs/dbraw/zinc/75/13/96/621751396.db2.gz LOBSMAOTOUBQGG-DMRZNYOFSA-N 2 2 294.389 3.095 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@H]1C[NH3+] ZINC000903424917 621751403 /nfs/dbraw/zinc/75/14/03/621751403.db2.gz LOBSMAOTOUBQGG-DMRZNYOFSA-N 2 2 294.389 3.095 20 0 CGADLP Cc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1Br ZINC000903746280 621798940 /nfs/dbraw/zinc/79/89/40/621798940.db2.gz XADHSHSQLLJFMA-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798811 621811728 /nfs/dbraw/zinc/81/17/28/621811728.db2.gz ARFGCUKHYMOMJP-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798811 621811731 /nfs/dbraw/zinc/81/17/31/621811731.db2.gz ARFGCUKHYMOMJP-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903884162 621826639 /nfs/dbraw/zinc/82/66/39/621826639.db2.gz TVYVOSXYDGSECY-ZIAGYGMSSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903884162 621826641 /nfs/dbraw/zinc/82/66/41/621826641.db2.gz TVYVOSXYDGSECY-ZIAGYGMSSA-N 2 2 268.351 3.114 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)C[C@@H]([NH3+])CC(F)F ZINC000903884810 621826975 /nfs/dbraw/zinc/82/69/75/621826975.db2.gz GVEJEMXMJUTLCQ-NSHDSACASA-N 2 2 284.375 3.316 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)C[C@@H]([NH3+])CC(F)F ZINC000903884810 621826976 /nfs/dbraw/zinc/82/69/76/621826976.db2.gz GVEJEMXMJUTLCQ-NSHDSACASA-N 2 2 284.375 3.316 20 0 CGADLP CC(C)COC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313768 621904041 /nfs/dbraw/zinc/90/40/41/621904041.db2.gz ZYWXOKGYUSYSPA-OAHLLOKOSA-N 2 2 284.488 3.277 20 0 CGADLP CC[N@H+](CCc1nccs1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904325301 621907881 /nfs/dbraw/zinc/90/78/81/621907881.db2.gz VJQXUNNHDYJMMV-CYBMUJFWSA-N 2 2 283.485 3.161 20 0 CGADLP CC[N@@H+](CCc1nccs1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904325301 621907885 /nfs/dbraw/zinc/90/78/85/621907885.db2.gz VJQXUNNHDYJMMV-CYBMUJFWSA-N 2 2 283.485 3.161 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471970 625571038 /nfs/dbraw/zinc/57/10/38/625571038.db2.gz ZNAYWDXICONMDG-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471970 625571042 /nfs/dbraw/zinc/57/10/42/625571042.db2.gz ZNAYWDXICONMDG-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471970 625571045 /nfs/dbraw/zinc/57/10/45/625571045.db2.gz ZNAYWDXICONMDG-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(Cl)c(C)c2)C[C@@H]1C ZINC000769471970 625571049 /nfs/dbraw/zinc/57/10/49/625571049.db2.gz ZNAYWDXICONMDG-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230699665 623263265 /nfs/dbraw/zinc/26/32/65/623263265.db2.gz GULTVIYDRAUQFH-GOEBONIOSA-N 2 2 287.432 3.246 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000151686133 623557217 /nfs/dbraw/zinc/55/72/17/623557217.db2.gz CYYYKGJIVSMCII-ZIAGYGMSSA-N 2 2 272.502 3.371 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000921821560 625890407 /nfs/dbraw/zinc/89/04/07/625890407.db2.gz JXWUUXRLWBGWSG-UHFFFAOYSA-N 2 2 290.798 3.030 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000922961989 626110406 /nfs/dbraw/zinc/11/04/06/626110406.db2.gz GLTZTRKMEBYRFO-OCCSQVGLSA-N 2 2 290.373 3.183 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@]34C[C@H]3CCC4)c2)c[nH+]1 ZINC000922964453 626110856 /nfs/dbraw/zinc/11/08/56/626110856.db2.gz LHKFRKATZVGQFW-DOMZBBRYSA-N 2 2 273.405 3.214 20 0 CGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000757652628 626797364 /nfs/dbraw/zinc/79/73/64/626797364.db2.gz SUAOSKNWPUHFQW-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP Cl/C=C(/Cl)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000763532065 627163967 /nfs/dbraw/zinc/16/39/67/627163967.db2.gz DOPLABCPFAPADK-UKTHLTGXSA-N 2 2 277.239 3.113 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000764595121 627213744 /nfs/dbraw/zinc/21/37/44/627213744.db2.gz YQIZBGQXTAIJOG-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000764595121 627213746 /nfs/dbraw/zinc/21/37/46/627213746.db2.gz YQIZBGQXTAIJOG-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC000765249896 627243670 /nfs/dbraw/zinc/24/36/70/627243670.db2.gz AHXGIIZLWOFXKV-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000765873644 627276451 /nfs/dbraw/zinc/27/64/51/627276451.db2.gz OUPNREWEDBRKPR-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000765873644 627276455 /nfs/dbraw/zinc/27/64/55/627276455.db2.gz OUPNREWEDBRKPR-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]CC3(C)CCC3)cc2)CC1 ZINC000766213773 627303979 /nfs/dbraw/zinc/30/39/79/627303979.db2.gz JZYVRJJVKSTHLK-UHFFFAOYSA-N 2 2 287.451 3.431 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(C)cccc2F)CC1 ZINC000766217410 627304831 /nfs/dbraw/zinc/30/48/31/627304831.db2.gz ZCKYONJYLHDJRM-UHFFFAOYSA-N 2 2 264.388 3.098 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000766271957 627309562 /nfs/dbraw/zinc/30/95/62/627309562.db2.gz WNJDPHCYPGJOHA-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000766271957 627309564 /nfs/dbraw/zinc/30/95/64/627309564.db2.gz WNJDPHCYPGJOHA-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766273065 627310077 /nfs/dbraw/zinc/31/00/77/627310077.db2.gz MVROCLJCVAYYOZ-HUUCEWRRSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766273065 627310079 /nfs/dbraw/zinc/31/00/79/627310079.db2.gz MVROCLJCVAYYOZ-HUUCEWRRSA-N 2 2 260.425 3.384 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000766275666 627311670 /nfs/dbraw/zinc/31/16/70/627311670.db2.gz YKDKOXRWUOQEBC-LSDHHAIUSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000766275666 627311671 /nfs/dbraw/zinc/31/16/71/627311671.db2.gz YKDKOXRWUOQEBC-LSDHHAIUSA-N 2 2 272.436 3.310 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000775464904 628098296 /nfs/dbraw/zinc/09/82/96/628098296.db2.gz UNHIHMDFFILCPL-UHFFFAOYSA-N 2 2 260.425 3.170 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000776363663 628198328 /nfs/dbraw/zinc/19/83/28/628198328.db2.gz JAKCENPGOYNHRY-KBPBESRZSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000776363663 628198332 /nfs/dbraw/zinc/19/83/32/628198332.db2.gz JAKCENPGOYNHRY-KBPBESRZSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783242406 628693303 /nfs/dbraw/zinc/69/33/03/628693303.db2.gz DAMVIIVUCQRPOH-WWGRRREGSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783637981 628733900 /nfs/dbraw/zinc/73/39/00/628733900.db2.gz XMNCWZOJWALOJD-WOSRLPQWSA-N 2 2 287.432 3.417 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863541656 629601975 /nfs/dbraw/zinc/60/19/75/629601975.db2.gz LHAVNYVVOKIXGH-IUODEOHRSA-N 2 2 262.372 3.069 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000863545878 629603522 /nfs/dbraw/zinc/60/35/22/629603522.db2.gz IMKJPLKWQCIYNN-MBNYWOFBSA-N 2 2 296.842 3.448 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1[NH+](C)C ZINC000796910053 629858224 /nfs/dbraw/zinc/85/82/24/629858224.db2.gz AAKPDPIZCUYQGF-JZXOWHBKSA-N 2 2 287.451 3.346 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1[NH+](C)C ZINC000796910053 629858227 /nfs/dbraw/zinc/85/82/27/629858227.db2.gz AAKPDPIZCUYQGF-JZXOWHBKSA-N 2 2 287.451 3.346 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cnc12 ZINC000865416097 630111362 /nfs/dbraw/zinc/11/13/62/630111362.db2.gz TVVSLIRYVRKYSJ-IRXDYDNUSA-N 2 2 299.393 3.090 20 0 CGADLP Fc1cccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cnc12 ZINC000865416097 630111364 /nfs/dbraw/zinc/11/13/64/630111364.db2.gz TVVSLIRYVRKYSJ-IRXDYDNUSA-N 2 2 299.393 3.090 20 0 CGADLP FC(F)(F)c1c[nH+]ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865508639 630160226 /nfs/dbraw/zinc/16/02/26/630160226.db2.gz LSOJRUMBQBOTEI-NSHDSACASA-N 2 2 296.296 3.138 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000802303510 630395581 /nfs/dbraw/zinc/39/55/81/630395581.db2.gz IWLQUULHHGCVTB-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000802303510 630395584 /nfs/dbraw/zinc/39/55/84/630395584.db2.gz IWLQUULHHGCVTB-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1Cl ZINC000817944022 632241703 /nfs/dbraw/zinc/24/17/03/632241703.db2.gz WCEZIEGUCMGUMZ-GFCCVEGCSA-N 2 2 281.831 3.437 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccnc1Cl ZINC000817959493 632255153 /nfs/dbraw/zinc/25/51/53/632255153.db2.gz RTOCYTFZKVWBEM-RISCZKNCSA-N 2 2 281.831 3.293 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000817968882 632261042 /nfs/dbraw/zinc/26/10/42/632261042.db2.gz OMYUDRWDHCCPMB-ITDIGPHOSA-N 2 2 296.842 3.306 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866344301 633089360 /nfs/dbraw/zinc/08/93/60/633089360.db2.gz VHBAJATVJNEBGD-HNJNHCNJSA-N 2 2 299.393 3.250 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720253 633235992 /nfs/dbraw/zinc/23/59/92/633235992.db2.gz IUUFTLOQQJAYPT-MSOLQXFVSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720253 633235998 /nfs/dbraw/zinc/23/59/98/633235998.db2.gz IUUFTLOQQJAYPT-MSOLQXFVSA-N 2 2 266.388 3.166 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000824971685 633312942 /nfs/dbraw/zinc/31/29/42/633312942.db2.gz WRXSNYNLVGCJGS-NQBHXWOUSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(C)CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000824971685 633312946 /nfs/dbraw/zinc/31/29/46/633312946.db2.gz WRXSNYNLVGCJGS-NQBHXWOUSA-N 2 2 291.266 3.175 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCCOC1 ZINC000872029093 633948603 /nfs/dbraw/zinc/94/86/03/633948603.db2.gz VRFXMCCJQHKFCW-DLBZAZTESA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000872064547 633986116 /nfs/dbraw/zinc/98/61/16/633986116.db2.gz ZSXRYJMQVWRHRH-MELADBBJSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872086065 634011492 /nfs/dbraw/zinc/01/14/92/634011492.db2.gz RHCSTNUQZVSRSQ-ULQDDVLXSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)CC ZINC000872087587 634012594 /nfs/dbraw/zinc/01/25/94/634012594.db2.gz FQFRUXMAQPRHDE-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1C[NH3+] ZINC000872144498 634064970 /nfs/dbraw/zinc/06/49/70/634064970.db2.gz GQVUWXYJMJEPIG-MXWKQRLJSA-N 2 2 290.329 3.104 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@@H]1C[NH3+] ZINC000872144498 634064977 /nfs/dbraw/zinc/06/49/77/634064977.db2.gz GQVUWXYJMJEPIG-MXWKQRLJSA-N 2 2 290.329 3.104 20 0 CGADLP Cc1cc(CNc2cc[nH+]cc2C2CC2)cc(C)[nH+]1 ZINC000872572530 634172037 /nfs/dbraw/zinc/17/20/37/634172037.db2.gz MGHGDAWTHQZPQF-UHFFFAOYSA-N 2 2 253.349 3.005 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccsc1 ZINC000834607101 634196889 /nfs/dbraw/zinc/19/68/89/634196889.db2.gz QAPJBNPJAHOZGP-OCCSQVGLSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccsc1 ZINC000834607101 634196893 /nfs/dbraw/zinc/19/68/93/634196893.db2.gz QAPJBNPJAHOZGP-OCCSQVGLSA-N 2 2 252.427 3.273 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230560 634292342 /nfs/dbraw/zinc/29/23/42/634292342.db2.gz TZMBUSKMZATDSO-SJORKVTESA-N 2 2 270.376 3.115 20 0 CGADLP COc1ccc2cc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)ccc2c1 ZINC000873230441 634292430 /nfs/dbraw/zinc/29/24/30/634292430.db2.gz ROYAQUHROFBVAC-MOPGFXCFSA-N 2 2 296.414 3.223 20 0 CGADLP CCSc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873232108 634293913 /nfs/dbraw/zinc/29/39/13/634293913.db2.gz VZHZUBOAOATEMT-HZPDHXFCSA-N 2 2 276.449 3.173 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000877477662 635052690 /nfs/dbraw/zinc/05/26/90/635052690.db2.gz HDZDGORDWVXPGR-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000877477662 635052695 /nfs/dbraw/zinc/05/26/95/635052695.db2.gz HDZDGORDWVXPGR-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(F)F ZINC000840967269 635095237 /nfs/dbraw/zinc/09/52/37/635095237.db2.gz YTRBVNVKAORHSX-BXUZGUMPSA-N 2 2 277.318 3.006 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742307 635177505 /nfs/dbraw/zinc/17/75/05/635177505.db2.gz OUJWJHQRRGEEPW-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742307 635177509 /nfs/dbraw/zinc/17/75/09/635177509.db2.gz OUJWJHQRRGEEPW-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742307 635177511 /nfs/dbraw/zinc/17/75/11/635177511.db2.gz OUJWJHQRRGEEPW-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742307 635177513 /nfs/dbraw/zinc/17/75/13/635177513.db2.gz OUJWJHQRRGEEPW-MKXCZPOJSA-N 2 2 292.373 3.004 20 0 CGADLP Clc1ncsc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968224 635292972 /nfs/dbraw/zinc/29/29/72/635292972.db2.gz KRSNITKKMOYXIG-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc2ccccc2nc1Cl ZINC000843355971 635652137 /nfs/dbraw/zinc/65/21/37/635652137.db2.gz ORMYECYMWYITAF-INIZCTEOSA-N 2 2 291.826 3.351 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136761 635923127 /nfs/dbraw/zinc/92/31/27/635923127.db2.gz RTTNGWKLPIGPNW-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC000880136761 635923130 /nfs/dbraw/zinc/92/31/30/635923130.db2.gz RTTNGWKLPIGPNW-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCCC1 ZINC000880136761 635923134 /nfs/dbraw/zinc/92/31/34/635923134.db2.gz RTTNGWKLPIGPNW-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCCC1 ZINC000880136761 635923136 /nfs/dbraw/zinc/92/31/36/635923136.db2.gz RTTNGWKLPIGPNW-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142739 635923879 /nfs/dbraw/zinc/92/38/79/635923879.db2.gz TZJCORVJHLUPQW-JKSUJKDBSA-N 2 2 282.497 3.221 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142739 635923881 /nfs/dbraw/zinc/92/38/81/635923881.db2.gz TZJCORVJHLUPQW-JKSUJKDBSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCSC1CCCCC1 ZINC000880142739 635923883 /nfs/dbraw/zinc/92/38/83/635923883.db2.gz TZJCORVJHLUPQW-JKSUJKDBSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCSC1CCCCC1 ZINC000880142739 635923885 /nfs/dbraw/zinc/92/38/85/635923885.db2.gz TZJCORVJHLUPQW-JKSUJKDBSA-N 2 2 282.497 3.221 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000129247868 636202744 /nfs/dbraw/zinc/20/27/44/636202744.db2.gz RGUBTBLVKCFANM-DZGCQCFKSA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882962437 636480066 /nfs/dbraw/zinc/48/00/66/636480066.db2.gz SRDPGRJRXMFOCW-UHFFFAOYSA-N 2 2 287.451 3.444 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883236840 636606639 /nfs/dbraw/zinc/60/66/39/636606639.db2.gz LTMMUEKITPWDGB-OIISXLGYSA-N 2 2 294.483 3.044 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)nc2Cl)CC1 ZINC000883300919 636656597 /nfs/dbraw/zinc/65/65/97/636656597.db2.gz LNHNZUZLZYYZPF-UHFFFAOYSA-N 2 2 281.831 3.007 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000131630366 636703258 /nfs/dbraw/zinc/70/32/58/636703258.db2.gz OBDCKRXUCPNODV-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000131630366 636703263 /nfs/dbraw/zinc/70/32/63/636703263.db2.gz OBDCKRXUCPNODV-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC4(CCC4)O3)cc2)c[nH+]1 ZINC000883365111 636706159 /nfs/dbraw/zinc/70/61/59/636706159.db2.gz UKHNZMDOSSSTGW-KRWDZBQOSA-N 2 2 297.402 3.064 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000883387782 636728492 /nfs/dbraw/zinc/72/84/92/636728492.db2.gz FCVGRGHGISEORF-CYGHRXIMSA-N 2 2 299.418 3.170 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)c2ccccc2)c[nH+]1 ZINC000883388483 636730654 /nfs/dbraw/zinc/73/06/54/636730654.db2.gz WBUFUSBYJLRBOQ-SQNIBIBYSA-N 2 2 281.403 3.403 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2ccccc2)c[nH+]1 ZINC000883388419 636730947 /nfs/dbraw/zinc/73/09/47/636730947.db2.gz UYZXBXIOXAVMKS-MLHJIOFPSA-N 2 2 281.403 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850421391 637054847 /nfs/dbraw/zinc/05/48/47/637054847.db2.gz TUWRZUHVOSHJRQ-ZBFHGGJFSA-N 2 2 297.402 3.235 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCCC1 ZINC000850426244 637057081 /nfs/dbraw/zinc/05/70/81/637057081.db2.gz SQWITWMIEKMCKQ-RYUDHWBXSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066256 637120974 /nfs/dbraw/zinc/12/09/74/637120974.db2.gz WXFHOCDGSVSYTD-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066256 637120976 /nfs/dbraw/zinc/12/09/76/637120976.db2.gz WXFHOCDGSVSYTD-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000885935318 637320236 /nfs/dbraw/zinc/32/02/36/637320236.db2.gz HXPNLWIFSNKSGL-GQCTYLIASA-N 2 2 273.355 3.105 20 0 CGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCn1cc[nH+]c1 ZINC000886490067 637539067 /nfs/dbraw/zinc/53/90/67/637539067.db2.gz YOGVOQURXBVBND-MRXNPFEDSA-N 2 2 298.365 3.171 20 0 CGADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000924584839 638368315 /nfs/dbraw/zinc/36/83/15/638368315.db2.gz NAXLTKZKQAYPKH-AWEZNQCLSA-N 2 2 287.407 3.367 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(Cl)CC1 ZINC000924770812 638402596 /nfs/dbraw/zinc/40/25/96/638402596.db2.gz UAMKFYUMPLJXGI-LBPRGKRZSA-N 2 2 275.783 3.122 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C12CCC2 ZINC000925508190 638515813 /nfs/dbraw/zinc/51/58/13/638515813.db2.gz ZMLYCANNMJFLBL-SQNIBIBYSA-N 2 2 293.414 3.031 20 0 CGADLP CC(C)CSCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925626524 638547843 /nfs/dbraw/zinc/54/78/43/638547843.db2.gz RNGQEIUOXIIQSY-DZGCQCFKSA-N 2 2 266.454 3.054 20 0 CGADLP CO[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000925491822 638562114 /nfs/dbraw/zinc/56/21/14/638562114.db2.gz FTWVLAKXUSVSBI-OLMNPRSZSA-N 2 2 284.403 3.052 20 0 CGADLP CO[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925491817 638563100 /nfs/dbraw/zinc/56/31/00/638563100.db2.gz FTWVLAKXUSVSBI-BMGDILEWSA-N 2 2 284.403 3.052 20 0 CGADLP c1csc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925673606 638564509 /nfs/dbraw/zinc/56/45/09/638564509.db2.gz CWTVJFWJCNUCNW-JKSUJKDBSA-N 2 2 278.465 3.287 20 0 CGADLP c1csc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925673606 638564517 /nfs/dbraw/zinc/56/45/17/638564517.db2.gz CWTVJFWJCNUCNW-JKSUJKDBSA-N 2 2 278.465 3.287 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2C=CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925731058 638585697 /nfs/dbraw/zinc/58/56/97/638585697.db2.gz JDWJLFZCWXHCEU-WBAXXEDZSA-N 2 2 286.419 3.044 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872507 638638821 /nfs/dbraw/zinc/63/88/21/638638821.db2.gz VJKDRJUQHQGIHL-YESZJQIVSA-N 2 2 279.387 3.193 20 0 CGADLP COC1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926157059 638724621 /nfs/dbraw/zinc/72/46/21/638724621.db2.gz RBZNUXBVDXZZFY-ZGUYJTEBSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926157059 638724628 /nfs/dbraw/zinc/72/46/28/638724628.db2.gz RBZNUXBVDXZZFY-ZGUYJTEBSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@@H]2CCCC[C@@H]21 ZINC000926231362 638748629 /nfs/dbraw/zinc/74/86/29/638748629.db2.gz ZXXGZNVDJAYKPS-KNCOVGOOSA-N 2 2 273.424 3.002 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](C1CCC1)C1CCCC1)C2 ZINC000926451003 638772562 /nfs/dbraw/zinc/77/25/62/638772562.db2.gz VCLHIALYLYXOEH-PBHICJAKSA-N 2 2 273.424 3.216 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccsc2)c(C)[nH+]1 ZINC000929264645 638913450 /nfs/dbraw/zinc/91/34/50/638913450.db2.gz YIPWHMHZQRYZAW-AWEZNQCLSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2c2ccsc2)c(C)[nH+]1 ZINC000929264645 638913453 /nfs/dbraw/zinc/91/34/53/638913453.db2.gz YIPWHMHZQRYZAW-AWEZNQCLSA-N 2 2 261.394 3.425 20 0 CGADLP CC(F)(F)CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990950 638966512 /nfs/dbraw/zinc/96/65/12/638966512.db2.gz DCEWYVYACBCRNQ-NSHDSACASA-N 2 2 257.328 3.025 20 0 CGADLP CC(F)(F)CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990950 638966515 /nfs/dbraw/zinc/96/65/15/638966515.db2.gz DCEWYVYACBCRNQ-NSHDSACASA-N 2 2 257.328 3.025 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000013734488 639608229 /nfs/dbraw/zinc/60/82/29/639608229.db2.gz ZGUSFUNEPOQUND-UHFFFAOYSA-N 2 2 284.831 3.170 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000092588032 640740874 /nfs/dbraw/zinc/74/08/74/640740874.db2.gz GODVGPYHNLUHNE-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccoc2)C1 ZINC000092588032 640740879 /nfs/dbraw/zinc/74/08/79/640740879.db2.gz GODVGPYHNLUHNE-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000092588032 640740884 /nfs/dbraw/zinc/74/08/84/640740884.db2.gz GODVGPYHNLUHNE-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000092588032 640740890 /nfs/dbraw/zinc/74/08/90/640740890.db2.gz GODVGPYHNLUHNE-JKSUJKDBSA-N 2 2 276.424 3.366 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc2c[nH+]cn2c1 ZINC001250328296 805573551 /nfs/dbraw/zinc/57/35/51/805573551.db2.gz PVOWHEGQVVCNKB-UHFFFAOYSA-N 2 2 252.321 3.344 20 0 CGADLP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C)c1 ZINC001158264977 805930954 /nfs/dbraw/zinc/93/09/54/805930954.db2.gz DRIQQCGEOQYENY-SUMWQHHRSA-N 2 2 291.439 3.354 20 0 CGADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(Cl)c1 ZINC001253211239 806183025 /nfs/dbraw/zinc/18/30/25/806183025.db2.gz UODLHSNXCYWZCO-ZFWWWQNUSA-N 2 2 298.858 3.002 20 0 CGADLP CC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1Cl ZINC001253407062 806215031 /nfs/dbraw/zinc/21/50/31/806215031.db2.gz CZFHIHYPMPMLPO-WFASDCNBSA-N 2 2 298.858 3.130 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CCNc1cc2ccccc2c[nH+]1 ZINC001160966543 806330212 /nfs/dbraw/zinc/33/02/12/806330212.db2.gz NTMFGVAEGYNZOC-OAHLLOKOSA-N 2 2 255.365 3.131 20 0 CGADLP C[N@H+]1CCC[C@@H]1CCNc1cc2ccccc2c[nH+]1 ZINC001160966543 806330220 /nfs/dbraw/zinc/33/02/20/806330220.db2.gz NTMFGVAEGYNZOC-OAHLLOKOSA-N 2 2 255.365 3.131 20 0 CGADLP CCC(CC)[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC001161100837 806349157 /nfs/dbraw/zinc/34/91/57/806349157.db2.gz VFYUQKJSYOEUJC-UHFFFAOYSA-N 2 2 290.455 3.467 20 0 CGADLP c1cc2c(cc[nH+]c2NCc2c[nH+]cn2CC2CCC2)[nH]1 ZINC001161530202 806386784 /nfs/dbraw/zinc/38/67/84/806386784.db2.gz XXDRAXTUZSKKAA-UHFFFAOYSA-N 2 2 281.363 3.172 20 0 CGADLP c1ccc2cc(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)ccc2c1 ZINC001254837174 806493135 /nfs/dbraw/zinc/49/31/35/806493135.db2.gz SEDLQCIKGIKMFC-IBGZPJMESA-N 2 2 280.415 3.414 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)c2ccccc21 ZINC001254840330 806494185 /nfs/dbraw/zinc/49/41/85/806494185.db2.gz GTHMOKHVSGCGSB-XUWXXGDYSA-N 2 2 270.420 3.309 20 0 CGADLP C1CC[C@@H]2[C@H](C1)CCC[C@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840124 806494239 /nfs/dbraw/zinc/49/42/39/806494239.db2.gz CHJYTPSTSZZAKD-BRSBDYLESA-N 2 2 276.468 3.419 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840900 806496019 /nfs/dbraw/zinc/49/60/19/806496019.db2.gz PZYUREFINHRYSL-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP Clc1cccc([C@@H]2C[C@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840585 806494513 /nfs/dbraw/zinc/49/45/13/806494513.db2.gz JSGTVSXSTZYQDL-IXDOHACOSA-N 2 2 290.838 3.270 20 0 CGADLP CC(C)([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254843241 806496110 /nfs/dbraw/zinc/49/61/10/806496110.db2.gz HLZCYEQEJAFSHZ-MRXNPFEDSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cccc(C(C)(C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254843736 806495424 /nfs/dbraw/zinc/49/54/24/806495424.db2.gz GPQGZMGYPVGTBH-KRWDZBQOSA-N 2 2 272.436 3.304 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254843688 806495498 /nfs/dbraw/zinc/49/54/98/806495498.db2.gz GJVYXSFCTXCEGR-FUHWJXTLSA-N 2 2 288.410 3.277 20 0 CGADLP c1ccc(C2=CC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254863289 806502179 /nfs/dbraw/zinc/50/21/79/806502179.db2.gz BNAZYFFOGSVGBD-LJQANCHMSA-N 2 2 282.431 3.260 20 0 CGADLP c1ccc(C2=CC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254863289 806502181 /nfs/dbraw/zinc/50/21/81/806502181.db2.gz BNAZYFFOGSVGBD-LJQANCHMSA-N 2 2 282.431 3.260 20 0 CGADLP c1ccc2c(c1)CC([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001255020144 806528307 /nfs/dbraw/zinc/52/83/07/806528307.db2.gz PRPBOXSNTIENOY-UHFFFAOYSA-N 2 2 294.398 3.092 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001162465143 806591640 /nfs/dbraw/zinc/59/16/40/806591640.db2.gz CYKOIXDIFXURFW-GOEBONIOSA-N 2 2 298.434 3.135 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)ccc1[NH+](C)C ZINC001162472413 806594159 /nfs/dbraw/zinc/59/41/59/806594159.db2.gz XKVUSZFEDYRLNB-CABCVRRESA-N 2 2 275.440 3.109 20 0 CGADLP Cc1cccc2c(C)cc(NC[C@@H]3CC[NH2+]C[C@@H]3F)[nH+]c12 ZINC001162801833 806668100 /nfs/dbraw/zinc/66/81/00/806668100.db2.gz GPPGNFDETGTYNO-ZFWWWQNUSA-N 2 2 287.382 3.211 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC=CCC1 ZINC000037156047 798861314 /nfs/dbraw/zinc/86/13/14/798861314.db2.gz WOKDJHSZXOJFTB-LSDHHAIUSA-N 2 2 261.413 3.244 20 0 CGADLP CC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2OC)CC1 ZINC000149875745 799053640 /nfs/dbraw/zinc/05/36/40/799053640.db2.gz BGOSXHGIYMNSGC-UHFFFAOYSA-N 2 2 276.424 3.004 20 0 CGADLP CCOc1ccc[nH+]c1NC1CCC(C[NH+](C)C)CC1 ZINC001163303142 806738613 /nfs/dbraw/zinc/73/86/13/806738613.db2.gz IBJYHBKFAHYWGK-UHFFFAOYSA-N 2 2 277.412 3.013 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826803 799367639 /nfs/dbraw/zinc/36/76/39/799367639.db2.gz NXSDOGJAANQGLO-IUCAKERBSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826803 799367646 /nfs/dbraw/zinc/36/76/46/799367646.db2.gz NXSDOGJAANQGLO-IUCAKERBSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825884 799388985 /nfs/dbraw/zinc/38/89/85/799388985.db2.gz WWCZYUPKOJAGNU-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825884 799388994 /nfs/dbraw/zinc/38/89/94/799388994.db2.gz WWCZYUPKOJAGNU-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382280833 799394802 /nfs/dbraw/zinc/39/48/02/799394802.db2.gz OKCICFOXZQTZDK-LBDPXKHJSA-N 2 2 250.430 3.029 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382292253 799395260 /nfs/dbraw/zinc/39/52/60/799395260.db2.gz QBSYWBJNGRASPK-UYSNPLJNSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2csc(Cl)c2)CC1 ZINC000387423789 799445693 /nfs/dbraw/zinc/44/56/93/799445693.db2.gz OQTYQWYJCDKMNJ-UHFFFAOYSA-N 2 2 272.845 3.364 20 0 CGADLP C[C@H]([NH2+]Cc1ccns1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000404362663 799575586 /nfs/dbraw/zinc/57/55/86/799575586.db2.gz FWROTUIUONRIOP-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC001255839910 806763255 /nfs/dbraw/zinc/76/32/55/806763255.db2.gz XVXKXQHVLTXUCL-ZBFHGGJFSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC001255839910 806763261 /nfs/dbraw/zinc/76/32/61/806763261.db2.gz XVXKXQHVLTXUCL-ZBFHGGJFSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(F)(F)CC1 ZINC000688337974 799747217 /nfs/dbraw/zinc/74/72/17/799747217.db2.gz NTXUDWVAKNTFIO-CYBMUJFWSA-N 2 2 285.382 3.465 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001255866271 806775647 /nfs/dbraw/zinc/77/56/47/806775647.db2.gz OFQOKSHKGNZFJI-ZDUSSCGKSA-N 2 2 283.350 3.194 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000705967022 799956978 /nfs/dbraw/zinc/95/69/78/799956978.db2.gz KXSFPLPKEPZTBR-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000705967022 799956983 /nfs/dbraw/zinc/95/69/83/799956983.db2.gz KXSFPLPKEPZTBR-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCOc2cc(F)ccc21 ZINC001255952581 806794932 /nfs/dbraw/zinc/79/49/32/806794932.db2.gz VBQZFCVAMSHWIC-CJNGLKHVSA-N 2 2 294.414 3.359 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000709867615 800022263 /nfs/dbraw/zinc/02/22/63/800022263.db2.gz JUUMQTFYGLWYBD-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000709867615 800022271 /nfs/dbraw/zinc/02/22/71/800022271.db2.gz JUUMQTFYGLWYBD-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256076221 806812410 /nfs/dbraw/zinc/81/24/10/806812410.db2.gz DSSUYTIGLHCQFM-UHFFFAOYSA-N 2 2 278.827 3.399 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC001256076221 806812418 /nfs/dbraw/zinc/81/24/18/806812418.db2.gz DSSUYTIGLHCQFM-UHFFFAOYSA-N 2 2 278.827 3.399 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001256211406 806851197 /nfs/dbraw/zinc/85/11/97/806851197.db2.gz WJTFFEGGZGYRHX-UHFFFAOYSA-N 2 2 260.425 3.034 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)C(C)(C)Cc1ccccc1 ZINC001256211406 806851204 /nfs/dbraw/zinc/85/12/04/806851204.db2.gz WJTFFEGGZGYRHX-UHFFFAOYSA-N 2 2 260.425 3.034 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001256680252 806946969 /nfs/dbraw/zinc/94/69/69/806946969.db2.gz SRUZCBCXDSTRRN-SFHVURJKSA-N 2 2 290.451 3.180 20 0 CGADLP Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001165236572 806978426 /nfs/dbraw/zinc/97/84/26/806978426.db2.gz KZQFEABMYYFQIT-GOSISDBHSA-N 2 2 281.403 3.123 20 0 CGADLP c1ccc(-c2cc[nH+]c(N3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001165236888 806978555 /nfs/dbraw/zinc/97/85/55/806978555.db2.gz OISIHPAGHKZUIC-IBGZPJMESA-N 2 2 293.414 3.329 20 0 CGADLP CC[C@@H](C)[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116518005 802369637 /nfs/dbraw/zinc/36/96/37/802369637.db2.gz ZSYCCSOAFVARGO-NEPJUHHUSA-N 2 2 286.379 3.196 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](CCc3cccc4ccccc43)C2)C1 ZINC001278022576 809111714 /nfs/dbraw/zinc/11/17/14/809111714.db2.gz WHEXYDOAYQRQNT-UHFFFAOYSA-N 2 2 280.415 3.020 20 0 CGADLP C[N@H+]1CCC2(C[NH+](CCc3cccc4ccccc43)C2)C1 ZINC001278022576 809111722 /nfs/dbraw/zinc/11/17/22/809111722.db2.gz WHEXYDOAYQRQNT-UHFFFAOYSA-N 2 2 280.415 3.020 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001121023922 802801058 /nfs/dbraw/zinc/80/10/58/802801058.db2.gz IILSCPFIWRJBKU-CYBMUJFWSA-N 2 2 290.455 3.196 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244616042 803465733 /nfs/dbraw/zinc/46/57/33/803465733.db2.gz JIFGOHJOVHQBMW-INIZCTEOSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244616042 803465736 /nfs/dbraw/zinc/46/57/36/803465736.db2.gz JIFGOHJOVHQBMW-INIZCTEOSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CCCC[N@H+]3C)cn2)c[nH+]c1N ZINC001245537934 803795715 /nfs/dbraw/zinc/79/57/15/803795715.db2.gz MBIAVJACRKPEDR-INIZCTEOSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)c[nH+]c1N ZINC001245537934 803795721 /nfs/dbraw/zinc/79/57/21/803795721.db2.gz MBIAVJACRKPEDR-INIZCTEOSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)c[nH+]c1N ZINC001245538927 803796727 /nfs/dbraw/zinc/79/67/27/803796727.db2.gz KLEYZKGFQWMLCA-HNNXBMFYSA-N 2 2 267.376 3.106 20 0 CGADLP CC[N@H+](Cc1[nH]c2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138403172 803918992 /nfs/dbraw/zinc/91/89/92/803918992.db2.gz KPKBSCZSEWDUNB-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1[nH]c2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138403172 803918995 /nfs/dbraw/zinc/91/89/95/803918995.db2.gz KPKBSCZSEWDUNB-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1N1CCCC1 ZINC001138616049 803980419 /nfs/dbraw/zinc/98/04/19/803980419.db2.gz RKKUZGKAXSYGLB-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1N1CCCC1 ZINC001138616049 803980425 /nfs/dbraw/zinc/98/04/25/803980425.db2.gz RKKUZGKAXSYGLB-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP CCCCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087822 804121067 /nfs/dbraw/zinc/12/10/67/804121067.db2.gz QAWQGONNCAAUGF-CKUJCDMFSA-N 2 2 270.436 3.415 20 0 CGADLP Cn1ccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc21 ZINC001139192866 804155482 /nfs/dbraw/zinc/15/54/82/804155482.db2.gz QFZZQGRRHJNPCV-UHFFFAOYSA-N 2 2 294.402 3.212 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246164596 804180420 /nfs/dbraw/zinc/18/04/20/804180420.db2.gz XMDFPNMITWFPRN-TZMCWYRMSA-N 2 2 284.806 3.345 20 0 CGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC001139360694 804183177 /nfs/dbraw/zinc/18/31/77/804183177.db2.gz DFYVKKFZIGCYGR-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC001139360694 804183184 /nfs/dbraw/zinc/18/31/84/804183184.db2.gz DFYVKKFZIGCYGR-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC001246170774 804185873 /nfs/dbraw/zinc/18/58/73/804185873.db2.gz SVPMRIFOELIKRP-CABCVRRESA-N 2 2 278.465 3.207 20 0 CGADLP CCCCc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246177118 804190720 /nfs/dbraw/zinc/19/07/20/804190720.db2.gz HGHWSAJAZGRNSY-YOEHRIQHSA-N 2 2 260.425 3.259 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)CC[NH2+]1 ZINC001246189057 804198336 /nfs/dbraw/zinc/19/83/36/804198336.db2.gz ZGHQGLCFCZDQCH-NORZTCDRSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC001246191948 804199915 /nfs/dbraw/zinc/19/99/15/804199915.db2.gz BMYPHHFZDGSKAF-WDMOLILDSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@@H]1C ZINC001246189898 804200416 /nfs/dbraw/zinc/20/04/16/804200416.db2.gz KNVVINLGPJNYCD-UVLXDEKHSA-N 2 2 292.389 3.331 20 0 CGADLP C[C@@H]1CC([NH2+]C2(c3ccccc3Cl)CC2)C[C@@H](C)[NH2+]1 ZINC001246208432 804206902 /nfs/dbraw/zinc/20/69/02/804206902.db2.gz AAKUYRJSCAIOBN-VXGBXAGGSA-N 2 2 278.827 3.448 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246224449 804219442 /nfs/dbraw/zinc/21/94/42/804219442.db2.gz GTGXNUWYPIJYLA-JTQLQIEISA-N 2 2 288.769 3.238 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246270633 804248047 /nfs/dbraw/zinc/24/80/47/804248047.db2.gz OZRYFGYLQGVWLP-XYPHTWIQSA-N 2 2 258.409 3.258 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246271458 804249761 /nfs/dbraw/zinc/24/97/61/804249761.db2.gz ISXUOYXZWWDJDC-MAZHCROVSA-N 2 2 264.388 3.397 20 0 CGADLP C[N@H+](CCC[NH3+])CCC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246284443 804257588 /nfs/dbraw/zinc/25/75/88/804257588.db2.gz NKIBVBGREZKLEL-KRWDZBQOSA-N 3 2 295.515 3.140 20 0 CGADLP C[N@@H+](CCC[NH3+])CCC[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246284443 804257598 /nfs/dbraw/zinc/25/75/98/804257598.db2.gz NKIBVBGREZKLEL-KRWDZBQOSA-N 3 2 295.515 3.140 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]CCC[N@H+](C)CCC[NH3+])CC1 ZINC001246286300 804261217 /nfs/dbraw/zinc/26/12/17/804261217.db2.gz WQEUVTIIWRSDGH-UHFFFAOYSA-N 3 2 297.531 3.242 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]CCC[N@@H+](C)CCC[NH3+])CC1 ZINC001246286300 804261223 /nfs/dbraw/zinc/26/12/23/804261223.db2.gz WQEUVTIIWRSDGH-UHFFFAOYSA-N 3 2 297.531 3.242 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246294547 804264283 /nfs/dbraw/zinc/26/42/83/804264283.db2.gz XFFJOMXPFNTZSE-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246302104 804268462 /nfs/dbraw/zinc/26/84/62/804268462.db2.gz WDCMQXPRMBKGRG-HNNXBMFYSA-N 3 2 257.466 3.129 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2F)CC[NH2+]1 ZINC001246317867 804277957 /nfs/dbraw/zinc/27/79/57/804277957.db2.gz QGJNUBAVZAGMDH-HUBLWGQQSA-N 2 2 282.378 3.392 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246320153 804278552 /nfs/dbraw/zinc/27/85/52/804278552.db2.gz XWTUDEAEPUHAAJ-NILFDRSVSA-N 2 2 250.361 3.007 20 0 CGADLP c1ccc(C2CCC([NH2+]C[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC001246336438 804290813 /nfs/dbraw/zinc/29/08/13/804290813.db2.gz NABBIKIOACDVDD-OFLPRAFFSA-N 2 2 290.476 3.007 20 0 CGADLP CCCCCC1CCC([NH2+]C[C@H]2CSCC[NH2+]2)CC1 ZINC001246336524 804291352 /nfs/dbraw/zinc/29/13/52/804291352.db2.gz NOTJYHUXRFDUHW-GPANFISMSA-N 2 2 284.513 3.420 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)c1 ZINC001246357103 804301246 /nfs/dbraw/zinc/30/12/46/804301246.db2.gz JALNPBTZRNOZRN-BBRMVZONSA-N 2 2 294.414 3.091 20 0 CGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246355115 804302624 /nfs/dbraw/zinc/30/26/24/804302624.db2.gz IOSQZDJXBCFXIH-SNRMKQJTSA-N 2 2 293.414 3.236 20 0 CGADLP Clc1cccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)c1 ZINC001246366200 804305125 /nfs/dbraw/zinc/30/51/25/804305125.db2.gz NACYGTAAJSBALT-OAHLLOKOSA-N 2 2 278.827 3.451 20 0 CGADLP Fc1cccc([C@@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246449950 804335524 /nfs/dbraw/zinc/33/55/24/804335524.db2.gz KJDKUMQAEHWJFM-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025546 804353941 /nfs/dbraw/zinc/35/39/41/804353941.db2.gz CNSMGHTUULIOED-KRWDZBQOSA-N 2 2 297.402 3.124 20 0 CGADLP CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025546 804353947 /nfs/dbraw/zinc/35/39/47/804353947.db2.gz CNSMGHTUULIOED-KRWDZBQOSA-N 2 2 297.402 3.124 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246477125 804354611 /nfs/dbraw/zinc/35/46/11/804354611.db2.gz VXVJCZNQWHIIAM-UAGQMJEPSA-N 2 2 260.425 3.485 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001140023788 804356285 /nfs/dbraw/zinc/35/62/85/804356285.db2.gz XPLXLILWZOAMIW-IUODEOHRSA-N 2 2 273.355 3.113 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001140023788 804356292 /nfs/dbraw/zinc/35/62/92/804356292.db2.gz XPLXLILWZOAMIW-IUODEOHRSA-N 2 2 273.355 3.113 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536529 804385540 /nfs/dbraw/zinc/38/55/40/804385540.db2.gz QGJCPSPGZWUHNZ-HHXXYDBFSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246536529 804385548 /nfs/dbraw/zinc/38/55/48/804385548.db2.gz QGJCPSPGZWUHNZ-HHXXYDBFSA-N 2 2 295.430 3.034 20 0 CGADLP C[C@H]1CC([N@@H+]2CCc3ccc(Cl)cc3C2)C[C@H](C)[NH2+]1 ZINC001246542698 804389791 /nfs/dbraw/zinc/38/97/91/804389791.db2.gz XJNMISQMIGPKPC-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@H]1CC([N@H+]2CCc3ccc(Cl)cc3C2)C[C@H](C)[NH2+]1 ZINC001246542698 804389801 /nfs/dbraw/zinc/38/98/01/804389801.db2.gz XJNMISQMIGPKPC-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001246540985 804391968 /nfs/dbraw/zinc/39/19/68/804391968.db2.gz NDVKKOIMDPBRCK-HUUCEWRRSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001246540985 804391975 /nfs/dbraw/zinc/39/19/75/804391975.db2.gz NDVKKOIMDPBRCK-HUUCEWRRSA-N 2 2 278.465 3.289 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246566896 804415573 /nfs/dbraw/zinc/41/55/73/804415573.db2.gz JVHISIYETYJEFM-WWGRRREGSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246566896 804415575 /nfs/dbraw/zinc/41/55/75/804415575.db2.gz JVHISIYETYJEFM-WWGRRREGSA-N 2 2 280.843 3.330 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574274 804421181 /nfs/dbraw/zinc/42/11/81/804421181.db2.gz UALYJVYKIHFCJF-WMZOPIPTSA-N 2 2 274.452 3.185 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574274 804421184 /nfs/dbraw/zinc/42/11/84/804421184.db2.gz UALYJVYKIHFCJF-WMZOPIPTSA-N 2 2 274.452 3.185 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585241 804427678 /nfs/dbraw/zinc/42/76/78/804427678.db2.gz ZLRFZKZSRCRXGZ-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585241 804427682 /nfs/dbraw/zinc/42/76/82/804427682.db2.gz ZLRFZKZSRCRXGZ-CZUORRHYSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585235 804427829 /nfs/dbraw/zinc/42/78/29/804427829.db2.gz ZLRFZKZSRCRXGZ-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585235 804427834 /nfs/dbraw/zinc/42/78/34/804427834.db2.gz ZLRFZKZSRCRXGZ-BBRMVZONSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608791 804442878 /nfs/dbraw/zinc/44/28/78/804442878.db2.gz JUZURODOIQUTHW-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608791 804442883 /nfs/dbraw/zinc/44/28/83/804442883.db2.gz JUZURODOIQUTHW-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615150 804449736 /nfs/dbraw/zinc/44/97/36/804449736.db2.gz QKTSHQLNGCMFSB-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615150 804449740 /nfs/dbraw/zinc/44/97/40/804449740.db2.gz QKTSHQLNGCMFSB-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620040 804454259 /nfs/dbraw/zinc/45/42/59/804454259.db2.gz PNIJDMQNPLUKEX-WCZJQEMASA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620040 804454262 /nfs/dbraw/zinc/45/42/62/804454262.db2.gz PNIJDMQNPLUKEX-WCZJQEMASA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246644589 804471999 /nfs/dbraw/zinc/47/19/99/804471999.db2.gz IHQUIBZJNUDPLC-XIKARTHZSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246644589 804472000 /nfs/dbraw/zinc/47/20/00/804472000.db2.gz IHQUIBZJNUDPLC-XIKARTHZSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246646478 804474326 /nfs/dbraw/zinc/47/43/26/804474326.db2.gz FGBSXDICBXMATO-CZUORRHYSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246646478 804474329 /nfs/dbraw/zinc/47/43/29/804474329.db2.gz FGBSXDICBXMATO-CZUORRHYSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H]1C ZINC001246662478 804484989 /nfs/dbraw/zinc/48/49/89/804484989.db2.gz JTWJPOQNTATJIR-MHEOJOEOSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@@H]1C ZINC001246662478 804484992 /nfs/dbraw/zinc/48/49/92/804484992.db2.gz JTWJPOQNTATJIR-MHEOJOEOSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246666866 804488122 /nfs/dbraw/zinc/48/81/22/804488122.db2.gz SHVVBICHXKVJMJ-XNRPHZJLSA-N 2 2 278.827 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246666866 804488125 /nfs/dbraw/zinc/48/81/25/804488125.db2.gz SHVVBICHXKVJMJ-XNRPHZJLSA-N 2 2 278.827 3.084 20 0 CGADLP C[N@H+]([C@@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784982 804510452 /nfs/dbraw/zinc/51/04/52/804510452.db2.gz HSIJXRZGVFMKJL-YYUOFMGYSA-N 2 2 262.441 3.029 20 0 CGADLP C[N@@H+]([C@@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784982 804510455 /nfs/dbraw/zinc/51/04/55/804510455.db2.gz HSIJXRZGVFMKJL-YYUOFMGYSA-N 2 2 262.441 3.029 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789816 804513730 /nfs/dbraw/zinc/51/37/30/804513730.db2.gz JYOYBMAESJPAHF-HOCLYGCPSA-N 2 2 264.388 3.034 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789816 804513733 /nfs/dbraw/zinc/51/37/33/804513733.db2.gz JYOYBMAESJPAHF-HOCLYGCPSA-N 2 2 264.388 3.034 20 0 CGADLP C[N@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246791350 804516052 /nfs/dbraw/zinc/51/60/52/804516052.db2.gz OKLRINYINJFBOL-GDBMZVCRSA-N 2 2 278.415 3.424 20 0 CGADLP C[N@@H+](Cc1ccccc1F)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246791350 804516055 /nfs/dbraw/zinc/51/60/55/804516055.db2.gz OKLRINYINJFBOL-GDBMZVCRSA-N 2 2 278.415 3.424 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001140805396 804523817 /nfs/dbraw/zinc/52/38/17/804523817.db2.gz DDNIGDBWYJVCQT-UHFFFAOYSA-N 2 2 255.365 3.329 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCCC2(CCC2)C1 ZINC001140805396 804523824 /nfs/dbraw/zinc/52/38/24/804523824.db2.gz DDNIGDBWYJVCQT-UHFFFAOYSA-N 2 2 255.365 3.329 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824880 804536454 /nfs/dbraw/zinc/53/64/54/804536454.db2.gz QVFMNJGFWPRVMM-WQVCFCJDSA-N 2 2 294.439 3.056 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824880 804536460 /nfs/dbraw/zinc/53/64/60/804536460.db2.gz QVFMNJGFWPRVMM-WQVCFCJDSA-N 2 2 294.439 3.056 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840621 804547528 /nfs/dbraw/zinc/54/75/28/804547528.db2.gz OQZOZYPEASOCRU-FXAWDEMLSA-N 2 2 294.442 3.482 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840621 804547530 /nfs/dbraw/zinc/54/75/30/804547530.db2.gz OQZOZYPEASOCRU-FXAWDEMLSA-N 2 2 294.442 3.482 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246839890 804547632 /nfs/dbraw/zinc/54/76/32/804547632.db2.gz ZYVUEGVZWMCLDX-YESZJQIVSA-N 2 2 278.415 3.159 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246839890 804547634 /nfs/dbraw/zinc/54/76/34/804547634.db2.gz ZYVUEGVZWMCLDX-YESZJQIVSA-N 2 2 278.415 3.159 20 0 CGADLP C[C@H]1C[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840622 804548460 /nfs/dbraw/zinc/54/84/60/804548460.db2.gz OQZOZYPEASOCRU-PXNSSMCTSA-N 2 2 294.442 3.482 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840622 804548463 /nfs/dbraw/zinc/54/84/63/804548463.db2.gz OQZOZYPEASOCRU-PXNSSMCTSA-N 2 2 294.442 3.482 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246861281 804565954 /nfs/dbraw/zinc/56/59/54/804565954.db2.gz AUCGUAYINBRICX-FRFSOERESA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246861281 804565961 /nfs/dbraw/zinc/56/59/61/804565961.db2.gz AUCGUAYINBRICX-FRFSOERESA-N 2 2 258.409 3.136 20 0 CGADLP CC[N@H+](CC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001246893014 804582992 /nfs/dbraw/zinc/58/29/92/804582992.db2.gz QJNGEONKFQCGGZ-LLVKDONJSA-N 2 2 272.845 3.101 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001246893014 804582996 /nfs/dbraw/zinc/58/29/96/804582996.db2.gz QJNGEONKFQCGGZ-LLVKDONJSA-N 2 2 272.845 3.101 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901315 804587730 /nfs/dbraw/zinc/58/77/30/804587730.db2.gz LUTYEBPSQTVELN-IIYDPXPESA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901315 804587736 /nfs/dbraw/zinc/58/77/36/804587736.db2.gz LUTYEBPSQTVELN-IIYDPXPESA-N 2 2 269.392 3.055 20 0 CGADLP CC1(C)CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951941 804615807 /nfs/dbraw/zinc/61/58/07/804615807.db2.gz ICZZEUJPOVRZIM-IRXDYDNUSA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951941 804615813 /nfs/dbraw/zinc/61/58/13/804615813.db2.gz ICZZEUJPOVRZIM-IRXDYDNUSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)C[N@H+]([C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001246951621 804616454 /nfs/dbraw/zinc/61/64/54/804616454.db2.gz FAAZPKKEZAUXSD-NWDGAFQWSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)C[N@@H+]([C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001246951621 804616459 /nfs/dbraw/zinc/61/64/59/804616459.db2.gz FAAZPKKEZAUXSD-NWDGAFQWSA-N 2 2 266.351 3.037 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@H]2C1 ZINC001141237557 804620842 /nfs/dbraw/zinc/62/08/42/804620842.db2.gz UDCBRRBFJXCPSP-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014862 804643328 /nfs/dbraw/zinc/64/33/28/804643328.db2.gz LZMZZZIGYNFLCP-RYSNWHEDSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014862 804643334 /nfs/dbraw/zinc/64/33/34/804643334.db2.gz LZMZZZIGYNFLCP-RYSNWHEDSA-N 2 2 290.373 3.181 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001143764181 804893025 /nfs/dbraw/zinc/89/30/25/804893025.db2.gz MQYSNWLKVYVFJR-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001143764181 804893029 /nfs/dbraw/zinc/89/30/29/804893029.db2.gz MQYSNWLKVYVFJR-UHFFFAOYSA-N 2 2 282.378 3.191 20 0 CGADLP CC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C1CC[NH+](C)CC1 ZINC001249478983 805157692 /nfs/dbraw/zinc/15/76/92/805157692.db2.gz JPWJVHFOAMTWHJ-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP CC[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C1CC[NH+](C)CC1 ZINC001249478983 805157697 /nfs/dbraw/zinc/15/76/97/805157697.db2.gz JPWJVHFOAMTWHJ-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP c1[nH+]cn2cc(Nc3ccc(N4CCCCC4)[nH+]c3)ccc12 ZINC001250324742 805568622 /nfs/dbraw/zinc/56/86/22/805568622.db2.gz ZZNBWLWAHPHCOS-UHFFFAOYSA-N 2 2 293.374 3.463 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3cc(F)ccc32)CC1 ZINC001257210571 807060523 /nfs/dbraw/zinc/06/05/23/807060523.db2.gz SLMGAMGBMANBLN-INIZCTEOSA-N 2 2 292.398 3.112 20 0 CGADLP CCC(CC)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257298029 807093246 /nfs/dbraw/zinc/09/32/46/807093246.db2.gz FLFQBPWOGYNAIR-AWEZNQCLSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001257298029 807093254 /nfs/dbraw/zinc/09/32/54/807093254.db2.gz FLFQBPWOGYNAIR-AWEZNQCLSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257298029 807093263 /nfs/dbraw/zinc/09/32/63/807093263.db2.gz FLFQBPWOGYNAIR-AWEZNQCLSA-N 2 2 292.471 3.289 20 0 CGADLP CCC(CC)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001257298029 807093269 /nfs/dbraw/zinc/09/32/69/807093269.db2.gz FLFQBPWOGYNAIR-AWEZNQCLSA-N 2 2 292.471 3.289 20 0 CGADLP CNc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c[nH+]1 ZINC001166900449 807111033 /nfs/dbraw/zinc/11/10/33/807111033.db2.gz JDQRUVOWCJWVCH-KRWDZBQOSA-N 2 2 296.418 3.372 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001257431772 807153746 /nfs/dbraw/zinc/15/37/46/807153746.db2.gz MEHNJIJHNITZPF-AWEZNQCLSA-N 2 2 278.415 3.487 20 0 CGADLP c1cc(OC2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC001257456677 807165610 /nfs/dbraw/zinc/16/56/10/807165610.db2.gz YFYQQURJDBADLH-UHFFFAOYSA-N 2 2 260.381 3.258 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001257462788 807167894 /nfs/dbraw/zinc/16/78/94/807167894.db2.gz BUEIIFSLCLBCPQ-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP CCCCC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001257515620 807189516 /nfs/dbraw/zinc/18/95/16/807189516.db2.gz SKRVEOFDSIHWDJ-OAHLLOKOSA-N 2 2 290.455 3.184 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCSC1 ZINC001257684601 807215708 /nfs/dbraw/zinc/21/57/08/807215708.db2.gz VQUATXHOSCXTOY-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCSC1 ZINC001257684601 807215714 /nfs/dbraw/zinc/21/57/14/807215714.db2.gz VQUATXHOSCXTOY-MRXNPFEDSA-N 2 2 287.432 3.200 20 0 CGADLP Cn1ccc2cc[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)c21 ZINC001167624873 807218039 /nfs/dbraw/zinc/21/80/39/807218039.db2.gz NUSOGUKFACPIMK-UHFFFAOYSA-N 2 2 286.423 3.058 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)C1 ZINC001257875106 807234182 /nfs/dbraw/zinc/23/41/82/807234182.db2.gz JFXRVYWDHOPTBV-CGZBRXJRSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(C)C)CC2)C1 ZINC001257875106 807234184 /nfs/dbraw/zinc/23/41/84/807234184.db2.gz JFXRVYWDHOPTBV-CGZBRXJRSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC001258002655 807263021 /nfs/dbraw/zinc/26/30/21/807263021.db2.gz XNZVWWSFAJZNJW-UHFFFAOYSA-N 2 2 297.446 3.445 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n1 ZINC001258003601 807263554 /nfs/dbraw/zinc/26/35/54/807263554.db2.gz MSMGXLLETJGEOR-OAHLLOKOSA-N 2 2 275.440 3.161 20 0 CGADLP Cc1[nH+]cn([C@@H](C)C[C@H](C)CC(C)C)c1CC[NH3+] ZINC001258050125 807275739 /nfs/dbraw/zinc/27/57/39/807275739.db2.gz BHSQXPGBHMDNEC-OLZOCXBDSA-N 2 2 251.418 3.326 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccco2)C1 ZINC001258197703 807357112 /nfs/dbraw/zinc/35/71/12/807357112.db2.gz PNNBPGHAFZEOKR-GOEBONIOSA-N 2 2 286.375 3.067 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccco2)C1 ZINC001258197703 807357121 /nfs/dbraw/zinc/35/71/21/807357121.db2.gz PNNBPGHAFZEOKR-GOEBONIOSA-N 2 2 286.375 3.067 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001258317396 807407289 /nfs/dbraw/zinc/40/72/89/807407289.db2.gz YAHYIJAHBLAXJB-CQSZACIVSA-N 2 2 280.481 3.368 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001258317396 807407293 /nfs/dbraw/zinc/40/72/93/807407293.db2.gz YAHYIJAHBLAXJB-CQSZACIVSA-N 2 2 280.481 3.368 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258328448 807412067 /nfs/dbraw/zinc/41/20/67/807412067.db2.gz BRKZGHQKQZJIRH-CJNGLKHVSA-N 2 2 292.492 3.292 20 0 CGADLP CSC(C)(C)C[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001258328448 807412071 /nfs/dbraw/zinc/41/20/71/807412071.db2.gz BRKZGHQKQZJIRH-CJNGLKHVSA-N 2 2 292.492 3.292 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CC(C)(C)SC ZINC001258350225 807423843 /nfs/dbraw/zinc/42/38/43/807423843.db2.gz ZAZLKQRABQNHGX-CYBMUJFWSA-N 2 2 269.458 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CC(C)(C)SC ZINC001258350225 807423844 /nfs/dbraw/zinc/42/38/44/807423844.db2.gz ZAZLKQRABQNHGX-CYBMUJFWSA-N 2 2 269.458 3.125 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258448766 807457361 /nfs/dbraw/zinc/45/73/61/807457361.db2.gz YECGDQNWGGJDCM-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1CCO[C@H](C[NH+](CC)CC)C1 ZINC001258448766 807457367 /nfs/dbraw/zinc/45/73/67/807457367.db2.gz YECGDQNWGGJDCM-DLBZAZTESA-N 2 2 284.488 3.388 20 0 CGADLP CCCC1CCC([N@@H+]2CCn3c(c[nH+]c3C)C2)CC1 ZINC001258530138 807485687 /nfs/dbraw/zinc/48/56/87/807485687.db2.gz CXFPRXXKKXTEGT-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP CCCC1CCC([N@H+]2CCn3c(c[nH+]c3C)C2)CC1 ZINC001258530138 807485692 /nfs/dbraw/zinc/48/56/92/807485692.db2.gz CXFPRXXKKXTEGT-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP CC[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168736236 807500072 /nfs/dbraw/zinc/50/00/72/807500072.db2.gz WPUYJWBAAQFNBO-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168736236 807500075 /nfs/dbraw/zinc/50/00/75/807500075.db2.gz WPUYJWBAAQFNBO-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258655139 807524929 /nfs/dbraw/zinc/52/49/29/807524929.db2.gz WUHVNZICVFAYKR-SFHVURJKSA-N 2 2 274.452 3.424 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258655139 807524933 /nfs/dbraw/zinc/52/49/33/807524933.db2.gz WUHVNZICVFAYKR-SFHVURJKSA-N 2 2 274.452 3.424 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001169107115 807578194 /nfs/dbraw/zinc/57/81/94/807578194.db2.gz CXYAFVUWZNZJKK-BTTYYORXSA-N 2 2 274.383 3.030 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001169107115 807578198 /nfs/dbraw/zinc/57/81/98/807578198.db2.gz CXYAFVUWZNZJKK-BTTYYORXSA-N 2 2 274.383 3.030 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001258908546 807672503 /nfs/dbraw/zinc/67/25/03/807672503.db2.gz WZPVIRPBOGHMAF-ZIAGYGMSSA-N 2 2 294.405 3.424 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001258908546 807672508 /nfs/dbraw/zinc/67/25/08/807672508.db2.gz WZPVIRPBOGHMAF-ZIAGYGMSSA-N 2 2 294.405 3.424 20 0 CGADLP COc1ccc2cc(NCC34CC[NH+](CC3)CC4)[nH+]cc2c1 ZINC001169794616 807710263 /nfs/dbraw/zinc/71/02/63/807710263.db2.gz RQEWJYNUMUWVFO-UHFFFAOYSA-N 2 2 297.402 3.141 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001170131698 807769890 /nfs/dbraw/zinc/76/98/90/807769890.db2.gz KEPDVCNIQJWYSF-UONOGXRCSA-N 2 2 260.381 3.113 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC001170265011 807808946 /nfs/dbraw/zinc/80/89/46/807808946.db2.gz CQJUXHMUBWKEPE-ZDUSSCGKSA-N 2 2 280.843 3.297 20 0 CGADLP Cc1[nH+]cn([C@H]2CCc3cccc(Cl)c3C2)c1CC[NH3+] ZINC001170898331 807928106 /nfs/dbraw/zinc/92/81/06/807928106.db2.gz VTJVKPAZPMYHGT-ZDUSSCGKSA-N 2 2 289.810 3.076 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001171665064 808116619 /nfs/dbraw/zinc/11/66/19/808116619.db2.gz FYJRBYFOSBAJPY-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC001171665064 808116622 /nfs/dbraw/zinc/11/66/22/808116622.db2.gz FYJRBYFOSBAJPY-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172388648 808280641 /nfs/dbraw/zinc/28/06/41/808280641.db2.gz NGLXENPUTVJIJY-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172388648 808280648 /nfs/dbraw/zinc/28/06/48/808280648.db2.gz NGLXENPUTVJIJY-IAGOWNOFSA-N 2 2 284.488 3.388 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405511 808293734 /nfs/dbraw/zinc/29/37/34/808293734.db2.gz YPKIKUOPTXVZOJ-PMPSAXMXSA-N 2 2 270.436 3.319 20 0 CGADLP CC[C@H](CC(C)C)[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405511 808293740 /nfs/dbraw/zinc/29/37/40/808293740.db2.gz YPKIKUOPTXVZOJ-PMPSAXMXSA-N 2 2 270.436 3.319 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405510 808293878 /nfs/dbraw/zinc/29/38/78/808293878.db2.gz YPKIKUOPTXVZOJ-OWCLPIDISA-N 2 2 270.436 3.319 20 0 CGADLP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405510 808293886 /nfs/dbraw/zinc/29/38/86/808293886.db2.gz YPKIKUOPTXVZOJ-OWCLPIDISA-N 2 2 270.436 3.319 20 0 CGADLP CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172433060 808309992 /nfs/dbraw/zinc/30/99/92/808309992.db2.gz FVVVYIMSMKSNCJ-OAHLLOKOSA-N 2 2 287.407 3.166 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546737 808375866 /nfs/dbraw/zinc/37/58/66/808375866.db2.gz PQIVYXFXIDRJMT-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP C[NH+](C)CCc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213033713 815207318 /nfs/dbraw/zinc/20/73/18/815207318.db2.gz TVTJQHBQXURILZ-UHFFFAOYSA-N 2 2 280.375 3.411 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001173235533 808544892 /nfs/dbraw/zinc/54/48/92/808544892.db2.gz MQXPVZVGSNFJBR-QAPCUYQASA-N 2 2 274.452 3.252 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001173235533 808544898 /nfs/dbraw/zinc/54/48/98/808544898.db2.gz MQXPVZVGSNFJBR-QAPCUYQASA-N 2 2 274.452 3.252 20 0 CGADLP CCCC[C@H](CC(C)C)n1c[nH+]c(C)c1CC[NH3+] ZINC001173251044 808557681 /nfs/dbraw/zinc/55/76/81/808557681.db2.gz YHMTZTSSUJXAGK-CQSZACIVSA-N 2 2 251.418 3.470 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001173265019 808570318 /nfs/dbraw/zinc/57/03/18/808570318.db2.gz YAHMRNJBAILJEY-OAGGEKHMSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001275245348 808922700 /nfs/dbraw/zinc/92/27/00/808922700.db2.gz DWKHHIGRKJTBFY-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001275245348 808922706 /nfs/dbraw/zinc/92/27/06/808922706.db2.gz DWKHHIGRKJTBFY-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC001275245348 808922711 /nfs/dbraw/zinc/92/27/11/808922711.db2.gz DWKHHIGRKJTBFY-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001275245348 808922718 /nfs/dbraw/zinc/92/27/18/808922718.db2.gz DWKHHIGRKJTBFY-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631276 809023149 /nfs/dbraw/zinc/02/31/49/809023149.db2.gz VFSXGJSTWLXHMO-QCPWZWHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631276 809023156 /nfs/dbraw/zinc/02/31/56/809023156.db2.gz VFSXGJSTWLXHMO-QCPWZWHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631276 809023164 /nfs/dbraw/zinc/02/31/64/809023164.db2.gz VFSXGJSTWLXHMO-QCPWZWHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631276 809023171 /nfs/dbraw/zinc/02/31/71/809023171.db2.gz VFSXGJSTWLXHMO-QCPWZWHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC)c1Cl ZINC001276855271 809037116 /nfs/dbraw/zinc/03/71/16/809037116.db2.gz OKNLSWQRXDPBAA-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)c1Cl ZINC001276855271 809037123 /nfs/dbraw/zinc/03/71/23/809037123.db2.gz OKNLSWQRXDPBAA-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP CCc1cccc(Nc2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC001176290835 809662638 /nfs/dbraw/zinc/66/26/38/809662638.db2.gz TYXXNPPMKJNJKY-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1(C)C ZINC001182310052 810103984 /nfs/dbraw/zinc/10/39/84/810103984.db2.gz SZTIEHALXDFBNQ-GJZGRUSLSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1(C)C ZINC001182310052 810103990 /nfs/dbraw/zinc/10/39/90/810103990.db2.gz SZTIEHALXDFBNQ-GJZGRUSLSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC001184206977 810183202 /nfs/dbraw/zinc/18/32/02/810183202.db2.gz PJNWIUJVQAYDPE-KKUMJFAQSA-N 2 2 272.502 3.082 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001186669471 810355713 /nfs/dbraw/zinc/35/57/13/810355713.db2.gz ILNLLTAAJLGGDQ-CQSZACIVSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001186669471 810355721 /nfs/dbraw/zinc/35/57/21/810355721.db2.gz ILNLLTAAJLGGDQ-CQSZACIVSA-N 2 2 288.439 3.196 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC001192004443 810767490 /nfs/dbraw/zinc/76/74/90/810767490.db2.gz JUHHJKPZDKVYPO-GOSISDBHSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC001192004443 810767494 /nfs/dbraw/zinc/76/74/94/810767494.db2.gz JUHHJKPZDKVYPO-GOSISDBHSA-N 2 2 274.452 3.254 20 0 CGADLP CCCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001197702533 811447162 /nfs/dbraw/zinc/44/71/62/811447162.db2.gz ZXWIHKDEJHIJSE-ZWKOTPCHSA-N 2 2 272.436 3.308 20 0 CGADLP CCCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001197702533 811447164 /nfs/dbraw/zinc/44/71/64/811447164.db2.gz ZXWIHKDEJHIJSE-ZWKOTPCHSA-N 2 2 272.436 3.308 20 0 CGADLP CCCc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC001197702533 811447171 /nfs/dbraw/zinc/44/71/71/811447171.db2.gz ZXWIHKDEJHIJSE-ZWKOTPCHSA-N 2 2 272.436 3.308 20 0 CGADLP CCCc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC001197702533 811447179 /nfs/dbraw/zinc/44/71/79/811447179.db2.gz ZXWIHKDEJHIJSE-ZWKOTPCHSA-N 2 2 272.436 3.308 20 0 CGADLP CC(C)C1CCC(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001200873055 811759740 /nfs/dbraw/zinc/75/97/40/811759740.db2.gz YNPZNHAIRBSMFK-JCYILVPMSA-N 2 2 298.540 3.476 20 0 CGADLP Nc1ccc(Nc2cc[nH+]c(-c3ccccc3)c2)c[nH+]1 ZINC001201275445 811805832 /nfs/dbraw/zinc/80/58/32/811805832.db2.gz FTLSRWGNKSLDON-UHFFFAOYSA-N 2 2 262.316 3.469 20 0 CGADLP CCC(CC)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201535138 811887400 /nfs/dbraw/zinc/88/74/00/811887400.db2.gz YOISTJFCJQAOSB-HNNXBMFYSA-N 2 2 262.397 3.279 20 0 CGADLP CCC(CC)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201535138 811887410 /nfs/dbraw/zinc/88/74/10/811887410.db2.gz YOISTJFCJQAOSB-HNNXBMFYSA-N 2 2 262.397 3.279 20 0 CGADLP CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731354 811949997 /nfs/dbraw/zinc/94/99/97/811949997.db2.gz PMOBGYFUGNLZPE-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731354 811950003 /nfs/dbraw/zinc/95/00/03/811950003.db2.gz PMOBGYFUGNLZPE-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201731354 811950006 /nfs/dbraw/zinc/95/00/06/811950006.db2.gz PMOBGYFUGNLZPE-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201731354 811950009 /nfs/dbraw/zinc/95/00/09/811950009.db2.gz PMOBGYFUGNLZPE-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP Cc1occc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001203470309 812372182 /nfs/dbraw/zinc/37/21/82/812372182.db2.gz DTKUDADKUWDWRK-KRWDZBQOSA-N 2 2 281.359 3.316 20 0 CGADLP Nc1ccc[nH+]c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203773216 812459376 /nfs/dbraw/zinc/45/93/76/812459376.db2.gz ICFGXTSRVFUZMG-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001203803128 812467654 /nfs/dbraw/zinc/46/76/54/812467654.db2.gz PQANBZBCBWUDGQ-HUUCEWRRSA-N 2 2 278.827 3.114 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC12CC2 ZINC001204903938 812770863 /nfs/dbraw/zinc/77/08/63/812770863.db2.gz GNUBSCDLSQSQOK-LJQANCHMSA-N 2 2 292.426 3.242 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC12CC2 ZINC001204903938 812770869 /nfs/dbraw/zinc/77/08/69/812770869.db2.gz GNUBSCDLSQSQOK-LJQANCHMSA-N 2 2 292.426 3.242 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2csc3ccccc23)C1 ZINC001204937311 812784772 /nfs/dbraw/zinc/78/47/72/812784772.db2.gz BSJOHHHLOYNYMT-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001204937311 812784777 /nfs/dbraw/zinc/78/47/77/812784777.db2.gz BSJOHHHLOYNYMT-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)nc1C ZINC001205296392 812937405 /nfs/dbraw/zinc/93/74/05/812937405.db2.gz ODKNDZFTZYMYMB-HNNXBMFYSA-N 2 2 281.831 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Cl)nc1C ZINC001205296392 812937410 /nfs/dbraw/zinc/93/74/10/812937410.db2.gz ODKNDZFTZYMYMB-HNNXBMFYSA-N 2 2 281.831 3.055 20 0 CGADLP COC1CC(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001205516918 812994095 /nfs/dbraw/zinc/99/40/95/812994095.db2.gz AQUISVVVHQFIDV-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814479 813092777 /nfs/dbraw/zinc/09/27/77/813092777.db2.gz CFUBVTOONJKXAB-WCQYABFASA-N 2 2 291.826 3.381 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205814479 813092786 /nfs/dbraw/zinc/09/27/86/813092786.db2.gz CFUBVTOONJKXAB-WCQYABFASA-N 2 2 291.826 3.381 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205814961 813092872 /nfs/dbraw/zinc/09/28/72/813092872.db2.gz DZEYVGXDLUNGFP-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205814961 813092879 /nfs/dbraw/zinc/09/28/79/813092879.db2.gz DZEYVGXDLUNGFP-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827964 813098706 /nfs/dbraw/zinc/09/87/06/813098706.db2.gz IJFHJSJBFSYGQO-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827964 813098711 /nfs/dbraw/zinc/09/87/11/813098711.db2.gz IJFHJSJBFSYGQO-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C[C@@H]1[NH3+] ZINC001205872909 813116246 /nfs/dbraw/zinc/11/62/46/813116246.db2.gz UHXKKGVDVJXUPY-PXAZEXFGSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C[C@@H]1[NH3+] ZINC001205872909 813116249 /nfs/dbraw/zinc/11/62/49/813116249.db2.gz UHXKKGVDVJXUPY-PXAZEXFGSA-N 2 2 272.367 3.148 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205922870 813133620 /nfs/dbraw/zinc/13/36/20/813133620.db2.gz CNUPIHQVPLSUOJ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205922870 813133624 /nfs/dbraw/zinc/13/36/24/813133624.db2.gz CNUPIHQVPLSUOJ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@@H](C)OC)[NH+](CC)CC)cc1 ZINC001206047812 813180748 /nfs/dbraw/zinc/18/07/48/813180748.db2.gz MEQMBOPVZBQEGP-QAPCUYQASA-N 2 2 292.467 3.256 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccsc3)c2)C[C@H]1[NH3+] ZINC001206065057 813188544 /nfs/dbraw/zinc/18/85/44/813188544.db2.gz JUAOFHVAOKTWMZ-MLGOLLRUSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccsc3)c2)C[C@H]1[NH3+] ZINC001206065057 813188548 /nfs/dbraw/zinc/18/85/48/813188548.db2.gz JUAOFHVAOKTWMZ-MLGOLLRUSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001206262708 813262673 /nfs/dbraw/zinc/26/26/73/813262673.db2.gz FJEIOQCESBJQJN-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001206262708 813262677 /nfs/dbraw/zinc/26/26/77/813262677.db2.gz FJEIOQCESBJQJN-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206352032 813299802 /nfs/dbraw/zinc/29/98/02/813299802.db2.gz MNIWLOJMTOBWRZ-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206352032 813299804 /nfs/dbraw/zinc/29/98/04/813299804.db2.gz MNIWLOJMTOBWRZ-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206363649 813303989 /nfs/dbraw/zinc/30/39/89/813303989.db2.gz YYVJZAZNDLWPEO-OAHLLOKOSA-N 2 2 286.341 3.277 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206363649 813303993 /nfs/dbraw/zinc/30/39/93/813303993.db2.gz YYVJZAZNDLWPEO-OAHLLOKOSA-N 2 2 286.341 3.277 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001206477828 813331479 /nfs/dbraw/zinc/33/14/79/813331479.db2.gz QQVXWBVPQUTPPQ-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001206477828 813331487 /nfs/dbraw/zinc/33/14/87/813331487.db2.gz QQVXWBVPQUTPPQ-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206548101 813346546 /nfs/dbraw/zinc/34/65/46/813346546.db2.gz GJGSUMPMHOYUTL-GOSISDBHSA-N 2 2 299.418 3.293 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206548101 813346554 /nfs/dbraw/zinc/34/65/54/813346554.db2.gz GJGSUMPMHOYUTL-GOSISDBHSA-N 2 2 299.418 3.293 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C[C@H]1OC ZINC001206646186 813386005 /nfs/dbraw/zinc/38/60/05/813386005.db2.gz PQYFZGKTLNXYAA-RRFJBIMHSA-N 2 2 282.472 3.043 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C[C@H]1OC ZINC001206646186 813386012 /nfs/dbraw/zinc/38/60/12/813386012.db2.gz PQYFZGKTLNXYAA-RRFJBIMHSA-N 2 2 282.472 3.043 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001207057810 813474914 /nfs/dbraw/zinc/47/49/14/813474914.db2.gz LRECTRQTMRHFSP-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001207057810 813474917 /nfs/dbraw/zinc/47/49/17/813474917.db2.gz LRECTRQTMRHFSP-HJWJTTGWSA-N 2 2 262.441 3.172 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594503 813604446 /nfs/dbraw/zinc/60/44/46/813604446.db2.gz XZRDUIAAEIRUAD-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594503 813604453 /nfs/dbraw/zinc/60/44/53/813604453.db2.gz XZRDUIAAEIRUAD-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594503 813604457 /nfs/dbraw/zinc/60/44/57/813604457.db2.gz XZRDUIAAEIRUAD-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594503 813604463 /nfs/dbraw/zinc/60/44/63/813604463.db2.gz XZRDUIAAEIRUAD-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)C[C@H]21 ZINC001207615077 813614545 /nfs/dbraw/zinc/61/45/45/813614545.db2.gz MZOCRGVFKJCIFJ-ZWKOTPCHSA-N 2 2 272.436 3.035 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)C[C@H]21 ZINC001207615077 813614550 /nfs/dbraw/zinc/61/45/50/813614550.db2.gz MZOCRGVFKJCIFJ-ZWKOTPCHSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615077 813614555 /nfs/dbraw/zinc/61/45/55/813614555.db2.gz MZOCRGVFKJCIFJ-ZWKOTPCHSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@H]21 ZINC001207615077 813614560 /nfs/dbraw/zinc/61/45/60/813614560.db2.gz MZOCRGVFKJCIFJ-ZWKOTPCHSA-N 2 2 272.436 3.035 20 0 CGADLP F[C@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1[NH+]1CCCCC1 ZINC001207636270 813625342 /nfs/dbraw/zinc/62/53/42/813625342.db2.gz TZEGFMANJHIOPT-FLXSYLCISA-N 2 2 292.442 3.097 20 0 CGADLP F[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC[C@H]1[NH+]1CCCCC1 ZINC001207636270 813625344 /nfs/dbraw/zinc/62/53/44/813625344.db2.gz TZEGFMANJHIOPT-FLXSYLCISA-N 2 2 292.442 3.097 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCn3c(c[nH+]c3C)C2)o1 ZINC001208162473 813719067 /nfs/dbraw/zinc/71/90/67/813719067.db2.gz RAGCUFSHQNBSNN-LBPRGKRZSA-N 2 2 273.380 3.102 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCn3c(c[nH+]c3C)C2)o1 ZINC001208162473 813719071 /nfs/dbraw/zinc/71/90/71/813719071.db2.gz RAGCUFSHQNBSNN-LBPRGKRZSA-N 2 2 273.380 3.102 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+](C[C@@H]2CCC(C)=C[C@H]2C)CCO1 ZINC001208167427 813722321 /nfs/dbraw/zinc/72/23/21/813722321.db2.gz GCCWQJFATDROKI-FGTMMUONSA-N 2 2 294.483 3.021 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)=C[C@H]2C)CCO1 ZINC001208167427 813722327 /nfs/dbraw/zinc/72/23/27/813722327.db2.gz GCCWQJFATDROKI-FGTMMUONSA-N 2 2 294.483 3.021 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612251 813775180 /nfs/dbraw/zinc/77/51/80/813775180.db2.gz LMFFAAYGWLYNAM-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612251 813775189 /nfs/dbraw/zinc/77/51/89/813775189.db2.gz LMFFAAYGWLYNAM-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612251 813775195 /nfs/dbraw/zinc/77/51/95/813775195.db2.gz LMFFAAYGWLYNAM-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001208612251 813775199 /nfs/dbraw/zinc/77/51/99/813775199.db2.gz LMFFAAYGWLYNAM-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2C)C1CC[NH+](C)CC1 ZINC001209490963 814058671 /nfs/dbraw/zinc/05/86/71/814058671.db2.gz RSQKWLRRNGOOCC-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2C)C1CC[NH+](C)CC1 ZINC001209490963 814058675 /nfs/dbraw/zinc/05/86/75/814058675.db2.gz RSQKWLRRNGOOCC-UHFFFAOYSA-N 2 2 285.435 3.392 20 0 CGADLP C[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209717929 814119231 /nfs/dbraw/zinc/11/92/31/814119231.db2.gz IAWFBEPCUGZXDT-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209717929 814119234 /nfs/dbraw/zinc/11/92/34/814119234.db2.gz IAWFBEPCUGZXDT-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209718938 814119581 /nfs/dbraw/zinc/11/95/81/814119581.db2.gz SCQMSGKZKOTPEK-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001209718938 814119584 /nfs/dbraw/zinc/11/95/84/814119584.db2.gz SCQMSGKZKOTPEK-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001209735226 814124734 /nfs/dbraw/zinc/12/47/34/814124734.db2.gz XOHWAPLTRNKQQW-QGZVFWFLSA-N 2 2 285.366 3.360 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001209735226 814124738 /nfs/dbraw/zinc/12/47/38/814124738.db2.gz XOHWAPLTRNKQQW-QGZVFWFLSA-N 2 2 285.366 3.360 20 0 CGADLP C[Si](C)(C)C[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209731174 814125313 /nfs/dbraw/zinc/12/53/13/814125313.db2.gz PIUKEGLGVSXRHU-UHFFFAOYSA-N 2 2 299.494 3.374 20 0 CGADLP C[Si](C)(C)C[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209731174 814125317 /nfs/dbraw/zinc/12/53/17/814125317.db2.gz PIUKEGLGVSXRHU-UHFFFAOYSA-N 2 2 299.494 3.374 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)CC[NH2+]1 ZINC001210496728 814490083 /nfs/dbraw/zinc/49/00/83/814490083.db2.gz JCSBTUCRGKIHSY-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)CC[NH2+]1 ZINC001210496728 814490090 /nfs/dbraw/zinc/49/00/90/814490090.db2.gz JCSBTUCRGKIHSY-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001211129760 814754990 /nfs/dbraw/zinc/75/49/90/814754990.db2.gz HYPXGUDHYSUCNY-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccccc2-n2cc[nH+]c2)c1F ZINC001216223338 815743176 /nfs/dbraw/zinc/74/31/76/815743176.db2.gz QTYXAEUDPCDTDY-UHFFFAOYSA-N 2 2 296.349 3.474 20 0 CGADLP c1cn(-c2ccc(O[C@H]3C[NH2+]Cc4ccccc43)cc2)c[nH+]1 ZINC001218486149 816241070 /nfs/dbraw/zinc/24/10/70/816241070.db2.gz CHTZLBKMXKDASR-SFHVURJKSA-N 2 2 291.354 3.096 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237017 816382085 /nfs/dbraw/zinc/38/20/85/816382085.db2.gz DEYOZVBSUNUSSV-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237017 816382090 /nfs/dbraw/zinc/38/20/90/816382090.db2.gz DEYOZVBSUNUSSV-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237585 816383800 /nfs/dbraw/zinc/38/38/00/816383800.db2.gz NHIUTQFLNOUJAB-SFHVURJKSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237585 816383809 /nfs/dbraw/zinc/38/38/09/816383809.db2.gz NHIUTQFLNOUJAB-SFHVURJKSA-N 2 2 288.435 3.192 20 0 CGADLP Clc1cccc(CC[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222287520 816397052 /nfs/dbraw/zinc/39/70/52/816397052.db2.gz LKCUOEYIYHCCDJ-UHFFFAOYSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222346769 816415095 /nfs/dbraw/zinc/41/50/95/816415095.db2.gz SHWQFRJJIQLQDZ-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222346769 816415097 /nfs/dbraw/zinc/41/50/97/816415097.db2.gz SHWQFRJJIQLQDZ-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1C ZINC001222353783 816417248 /nfs/dbraw/zinc/41/72/48/816417248.db2.gz HFYNOGLGUYQIGE-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1C ZINC001222353783 816417255 /nfs/dbraw/zinc/41/72/55/816417255.db2.gz HFYNOGLGUYQIGE-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2c(c1)CCCC2 ZINC001222353605 816418104 /nfs/dbraw/zinc/41/81/04/816418104.db2.gz CKBVSEWYBMVRSL-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c2c(c1)CCCC2 ZINC001222353605 816418108 /nfs/dbraw/zinc/41/81/08/816418108.db2.gz CKBVSEWYBMVRSL-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP Clc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222422081 816440118 /nfs/dbraw/zinc/44/01/18/816440118.db2.gz RKRQGLFCCCOVSO-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222422081 816440121 /nfs/dbraw/zinc/44/01/21/816440121.db2.gz RKRQGLFCCCOVSO-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP C[NH2+]Cc1cccc(-c2cn3cc[nH+]c3cc2C)c1 ZINC001242997992 823204787 /nfs/dbraw/zinc/20/47/87/823204787.db2.gz XNEKLCYIPHDFNH-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3Oc2cc[nH+]cc2)cc1 ZINC001225291871 816997437 /nfs/dbraw/zinc/99/74/37/816997437.db2.gz AHSWEUKYOXLSHP-DZFIZOCASA-N 2 2 294.398 3.371 20 0 CGADLP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3Oc2cc[nH+]cc2)cc1 ZINC001225291871 816997444 /nfs/dbraw/zinc/99/74/44/816997444.db2.gz AHSWEUKYOXLSHP-DZFIZOCASA-N 2 2 294.398 3.371 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425244 818099752 /nfs/dbraw/zinc/09/97/52/818099752.db2.gz OKFQKBQPLMIKRB-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(COC)o2)CC1 ZINC001231694682 818158266 /nfs/dbraw/zinc/15/82/66/818158266.db2.gz VIRWJOPZNUIKDS-UHFFFAOYSA-N 2 2 294.439 3.122 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(COC)o2)CC1 ZINC001231694682 818158267 /nfs/dbraw/zinc/15/82/67/818158267.db2.gz VIRWJOPZNUIKDS-UHFFFAOYSA-N 2 2 294.439 3.122 20 0 CGADLP Clc1cnc2c(c1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232017117 818235931 /nfs/dbraw/zinc/23/59/31/818235931.db2.gz LNHKEKACAPYNQY-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP Clc1cnc2c(c1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232017117 818235936 /nfs/dbraw/zinc/23/59/36/818235936.db2.gz LNHKEKACAPYNQY-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234084698 818776343 /nfs/dbraw/zinc/77/63/43/818776343.db2.gz HXIUASDJUNLGBF-CQSZACIVSA-N 2 2 285.391 3.113 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234084698 818776346 /nfs/dbraw/zinc/77/63/46/818776346.db2.gz HXIUASDJUNLGBF-CQSZACIVSA-N 2 2 285.391 3.113 20 0 CGADLP Cc1c(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036618 818986936 /nfs/dbraw/zinc/98/69/36/818986936.db2.gz AEEDFOVMTHTONP-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036618 818986943 /nfs/dbraw/zinc/98/69/43/818986943.db2.gz AEEDFOVMTHTONP-KRWDZBQOSA-N 2 2 294.389 3.381 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235110087 819005365 /nfs/dbraw/zinc/00/53/65/819005365.db2.gz IILMVGZILINHOT-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235110087 819005370 /nfs/dbraw/zinc/00/53/70/819005370.db2.gz IILMVGZILINHOT-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235111770 819006712 /nfs/dbraw/zinc/00/67/12/819006712.db2.gz VADNLTSAFZWBBB-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@]34CC[NH2+]C4)ccc2c1 ZINC001235111770 819006717 /nfs/dbraw/zinc/00/67/17/819006717.db2.gz VADNLTSAFZWBBB-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170316 819023064 /nfs/dbraw/zinc/02/30/64/819023064.db2.gz FFJCNQSVSDLOHO-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170316 819023068 /nfs/dbraw/zinc/02/30/68/819023068.db2.gz FFJCNQSVSDLOHO-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)s1 ZINC001235218651 819038922 /nfs/dbraw/zinc/03/89/22/819038922.db2.gz IWRQQSCINVRTOB-HIFRSBDPSA-N 2 2 272.417 3.085 20 0 CGADLP c1cc2c(cccc2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)s1 ZINC001235218651 819038928 /nfs/dbraw/zinc/03/89/28/819038928.db2.gz IWRQQSCINVRTOB-HIFRSBDPSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001235254507 819051726 /nfs/dbraw/zinc/05/17/26/819051726.db2.gz BUTDRNFHUGFQLC-DLBZAZTESA-N 2 2 282.387 3.049 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001235254507 819051734 /nfs/dbraw/zinc/05/17/34/819051734.db2.gz BUTDRNFHUGFQLC-DLBZAZTESA-N 2 2 282.387 3.049 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC001235258977 819054160 /nfs/dbraw/zinc/05/41/60/819054160.db2.gz CMWJOTCXPNOPRD-HOCLYGCPSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1C ZINC001235258977 819054162 /nfs/dbraw/zinc/05/41/62/819054162.db2.gz CMWJOTCXPNOPRD-HOCLYGCPSA-N 2 2 278.827 3.141 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC001235262935 819055175 /nfs/dbraw/zinc/05/51/75/819055175.db2.gz LUSKWRYBGXCDJC-HOCLYGCPSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC001235262935 819055180 /nfs/dbraw/zinc/05/51/80/819055180.db2.gz LUSKWRYBGXCDJC-HOCLYGCPSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235262936 819056133 /nfs/dbraw/zinc/05/61/33/819056133.db2.gz LUSKWRYBGXCDJC-ZBFHGGJFSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235262936 819056141 /nfs/dbraw/zinc/05/61/41/819056141.db2.gz LUSKWRYBGXCDJC-ZBFHGGJFSA-N 2 2 278.827 3.086 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235264867 819056931 /nfs/dbraw/zinc/05/69/31/819056931.db2.gz QVRWVAXBPNLHEX-UKRRQHHQSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235264867 819056934 /nfs/dbraw/zinc/05/69/34/819056934.db2.gz QVRWVAXBPNLHEX-UKRRQHHQSA-N 2 2 278.827 3.141 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001235724935 819152859 /nfs/dbraw/zinc/15/28/59/819152859.db2.gz LPLYIVXTYLUBLA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001235724935 819152863 /nfs/dbraw/zinc/15/28/63/819152863.db2.gz LPLYIVXTYLUBLA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC001235738489 819158303 /nfs/dbraw/zinc/15/83/03/819158303.db2.gz DHQCSCCSRCUPBD-KRWDZBQOSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC001235738489 819158308 /nfs/dbraw/zinc/15/83/08/819158308.db2.gz DHQCSCCSRCUPBD-KRWDZBQOSA-N 2 2 280.415 3.456 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)s1 ZINC001235903713 819213135 /nfs/dbraw/zinc/21/31/35/819213135.db2.gz ITTYZGOMJJLBEC-CHWSQXEVSA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)s1 ZINC001235903713 819213140 /nfs/dbraw/zinc/21/31/40/819213140.db2.gz ITTYZGOMJJLBEC-CHWSQXEVSA-N 2 2 266.454 3.402 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001235925490 819225086 /nfs/dbraw/zinc/22/50/86/819225086.db2.gz QUMCGCJWTYEVMS-ZDUSSCGKSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC001235925490 819225091 /nfs/dbraw/zinc/22/50/91/819225091.db2.gz QUMCGCJWTYEVMS-ZDUSSCGKSA-N 2 2 290.304 3.158 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235961262 819250077 /nfs/dbraw/zinc/25/00/77/819250077.db2.gz CUUZQCILKKEHJZ-GVDBMIGSSA-N 2 2 282.472 3.249 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC001235961262 819250081 /nfs/dbraw/zinc/25/00/81/819250081.db2.gz CUUZQCILKKEHJZ-GVDBMIGSSA-N 2 2 282.472 3.249 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981703 819258963 /nfs/dbraw/zinc/25/89/63/819258963.db2.gz RYQDXUDIFBDVQW-KXBFYZLASA-N 2 2 296.414 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981703 819258968 /nfs/dbraw/zinc/25/89/68/819258968.db2.gz RYQDXUDIFBDVQW-KXBFYZLASA-N 2 2 296.414 3.162 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987528 819259890 /nfs/dbraw/zinc/25/98/90/819259890.db2.gz DTZGNUFNGSESCQ-XLIONFOSSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987528 819259895 /nfs/dbraw/zinc/25/98/95/819259895.db2.gz DTZGNUFNGSESCQ-XLIONFOSSA-N 2 2 290.410 3.181 20 0 CGADLP CC[N@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236008668 819272878 /nfs/dbraw/zinc/27/28/78/819272878.db2.gz IDWXEDXBSNENGZ-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP CC[N@@H+](Cc1cccc(OC(C)(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001236008668 819272883 /nfs/dbraw/zinc/27/28/83/819272883.db2.gz IDWXEDXBSNENGZ-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c(C)c12 ZINC001236094488 819311950 /nfs/dbraw/zinc/31/19/50/819311950.db2.gz YEWXPRSRVRBDRQ-KCJUWKMLSA-N 2 2 280.462 3.359 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c(C)c12 ZINC001236094488 819311955 /nfs/dbraw/zinc/31/19/55/819311955.db2.gz YEWXPRSRVRBDRQ-KCJUWKMLSA-N 2 2 280.462 3.359 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236108643 819324025 /nfs/dbraw/zinc/32/40/25/819324025.db2.gz LVMXFUVUGZLMCP-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236108643 819324029 /nfs/dbraw/zinc/32/40/29/819324029.db2.gz LVMXFUVUGZLMCP-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236141469 819342179 /nfs/dbraw/zinc/34/21/79/819342179.db2.gz GYEHHDMUTOTDHV-UHFFFAOYSA-N 2 2 273.424 3.246 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001236141469 819342181 /nfs/dbraw/zinc/34/21/81/819342181.db2.gz GYEHHDMUTOTDHV-UHFFFAOYSA-N 2 2 273.424 3.246 20 0 CGADLP COc1ccc2cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236200025 819365381 /nfs/dbraw/zinc/36/53/81/819365381.db2.gz HOZQXPWJBVJECW-LJQANCHMSA-N 2 2 298.430 3.422 20 0 CGADLP COc1ccc2cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2c1 ZINC001236200025 819365389 /nfs/dbraw/zinc/36/53/89/819365389.db2.gz HOZQXPWJBVJECW-LJQANCHMSA-N 2 2 298.430 3.422 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C(C)C ZINC001236205654 819367808 /nfs/dbraw/zinc/36/78/08/819367808.db2.gz FZJGRLBOMJIHDL-SFHVURJKSA-N 2 2 290.451 3.393 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C(C)C ZINC001236205654 819367811 /nfs/dbraw/zinc/36/78/11/819367811.db2.gz FZJGRLBOMJIHDL-SFHVURJKSA-N 2 2 290.451 3.393 20 0 CGADLP CC(C)c1ccccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207345 819369896 /nfs/dbraw/zinc/36/98/96/819369896.db2.gz PHLZGARUCNIAEA-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236207345 819369906 /nfs/dbraw/zinc/36/99/06/819369906.db2.gz PHLZGARUCNIAEA-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236209377 819372309 /nfs/dbraw/zinc/37/23/09/819372309.db2.gz XDOOLLJUUMHMBU-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@]1(C)CCC[NH2+]C1 ZINC001236209377 819372316 /nfs/dbraw/zinc/37/23/16/819372316.db2.gz XDOOLLJUUMHMBU-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213229 819376708 /nfs/dbraw/zinc/37/67/08/819376708.db2.gz AOJMQGXKDLWYCT-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213229 819376712 /nfs/dbraw/zinc/37/67/12/819376712.db2.gz AOJMQGXKDLWYCT-UONOGXRCSA-N 2 2 270.779 3.181 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215729 819380982 /nfs/dbraw/zinc/38/09/82/819380982.db2.gz IKIYECYMPXILKN-KGLIPLIRSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215729 819380991 /nfs/dbraw/zinc/38/09/91/819380991.db2.gz IKIYECYMPXILKN-KGLIPLIRSA-N 2 2 264.438 3.110 20 0 CGADLP C[N@H+](Cc1cccn1Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220837 819387547 /nfs/dbraw/zinc/38/75/47/819387547.db2.gz ZTSDHHHBELUBER-MOPGFXCFSA-N 2 2 297.446 3.238 20 0 CGADLP C[N@@H+](Cc1cccn1Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220837 819387555 /nfs/dbraw/zinc/38/75/55/819387555.db2.gz ZTSDHHHBELUBER-MOPGFXCFSA-N 2 2 297.446 3.238 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303181 819416103 /nfs/dbraw/zinc/41/61/03/819416103.db2.gz MOGXKCCCDJNIQI-GXFFZTMASA-N 2 2 272.314 3.190 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303181 819416106 /nfs/dbraw/zinc/41/61/06/819416106.db2.gz MOGXKCCCDJNIQI-GXFFZTMASA-N 2 2 272.314 3.190 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2c1 ZINC001236417691 819463614 /nfs/dbraw/zinc/46/36/14/819463614.db2.gz FHSBNRFCCNSPKA-IAQYHMDHSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)cc2c1 ZINC001236417691 819463616 /nfs/dbraw/zinc/46/36/16/819463616.db2.gz FHSBNRFCCNSPKA-IAQYHMDHSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2c1 ZINC001236417695 819463860 /nfs/dbraw/zinc/46/38/60/819463860.db2.gz FHSBNRFCCNSPKA-XHDPSFHLSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@@H]([NH3+])[C@@H]3C)cc2c1 ZINC001236417695 819463864 /nfs/dbraw/zinc/46/38/64/819463864.db2.gz FHSBNRFCCNSPKA-XHDPSFHLSA-N 2 2 290.432 3.222 20 0 CGADLP C[C@H]1C[C@@H]1C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472586 819491129 /nfs/dbraw/zinc/49/11/29/819491129.db2.gz UECJXJXYEJWLKR-YSVLISHTSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472586 819491133 /nfs/dbraw/zinc/49/11/33/819491133.db2.gz UECJXJXYEJWLKR-YSVLISHTSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1C[C@@H]1C[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511557 819509628 /nfs/dbraw/zinc/50/96/28/819509628.db2.gz QQNJUVYZGGWLRW-QWHCGFSZSA-N 2 2 294.389 3.175 20 0 CGADLP C[C@H]1C[C@@H]1C[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511557 819509631 /nfs/dbraw/zinc/50/96/31/819509631.db2.gz QQNJUVYZGGWLRW-QWHCGFSZSA-N 2 2 294.389 3.175 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236529956 819521279 /nfs/dbraw/zinc/52/12/79/819521279.db2.gz PKLGCAZHVBUFMC-KRWDZBQOSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001236529956 819521283 /nfs/dbraw/zinc/52/12/83/819521283.db2.gz PKLGCAZHVBUFMC-KRWDZBQOSA-N 2 2 290.451 3.355 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)(F)F)c1C ZINC001236868710 819628178 /nfs/dbraw/zinc/62/81/78/819628178.db2.gz GQFRWFAMRVIZRG-LBPRGKRZSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)(F)F)c1C ZINC001236868710 819628179 /nfs/dbraw/zinc/62/81/79/819628179.db2.gz GQFRWFAMRVIZRG-LBPRGKRZSA-N 2 2 274.330 3.183 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056156 819655283 /nfs/dbraw/zinc/65/52/83/819655283.db2.gz GZOKACOPVLZFAR-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237056156 819655290 /nfs/dbraw/zinc/65/52/90/819655290.db2.gz GZOKACOPVLZFAR-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237081833 819662461 /nfs/dbraw/zinc/66/24/61/819662461.db2.gz MVBQMIZOFYBCHV-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237081833 819662462 /nfs/dbraw/zinc/66/24/62/819662462.db2.gz MVBQMIZOFYBCHV-INIZCTEOSA-N 2 2 296.842 3.300 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001237205195 819697629 /nfs/dbraw/zinc/69/76/29/819697629.db2.gz XIIMWWBUNFWVBA-YPMHNXCESA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001237205195 819697632 /nfs/dbraw/zinc/69/76/32/819697632.db2.gz XIIMWWBUNFWVBA-YPMHNXCESA-N 2 2 286.341 3.060 20 0 CGADLP Fc1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(Cl)c1 ZINC001237384010 819739262 /nfs/dbraw/zinc/73/92/62/819739262.db2.gz TYADQLRKEVSRIQ-XJKSGUPXSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(Cl)c1 ZINC001237384010 819739267 /nfs/dbraw/zinc/73/92/67/819739267.db2.gz TYADQLRKEVSRIQ-XJKSGUPXSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386784 819740716 /nfs/dbraw/zinc/74/07/16/819740716.db2.gz AHIHMQHDKDFOMN-CZUORRHYSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386784 819740718 /nfs/dbraw/zinc/74/07/18/819740718.db2.gz AHIHMQHDKDFOMN-CZUORRHYSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237407518 819744819 /nfs/dbraw/zinc/74/48/19/819744819.db2.gz XOPGGQMFCJIHLL-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237407518 819744822 /nfs/dbraw/zinc/74/48/22/819744822.db2.gz XOPGGQMFCJIHLL-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001237460034 819755726 /nfs/dbraw/zinc/75/57/26/819755726.db2.gz FVCUKQUMOZRRGB-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001237460034 819755728 /nfs/dbraw/zinc/75/57/28/819755728.db2.gz FVCUKQUMOZRRGB-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001237460034 819755730 /nfs/dbraw/zinc/75/57/30/819755730.db2.gz FVCUKQUMOZRRGB-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001237460034 819755732 /nfs/dbraw/zinc/75/57/32/819755732.db2.gz FVCUKQUMOZRRGB-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237732483 819824071 /nfs/dbraw/zinc/82/40/71/819824071.db2.gz MCQPGGUTFBXJEZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237732483 819824081 /nfs/dbraw/zinc/82/40/81/819824081.db2.gz MCQPGGUTFBXJEZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237732483 819824090 /nfs/dbraw/zinc/82/40/90/819824090.db2.gz MCQPGGUTFBXJEZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237732483 819824098 /nfs/dbraw/zinc/82/40/98/819824098.db2.gz MCQPGGUTFBXJEZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP COc1ccoc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001237873634 819862844 /nfs/dbraw/zinc/86/28/44/819862844.db2.gz HIUNENMGELXRDW-GJZGRUSLSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001237873634 819862856 /nfs/dbraw/zinc/86/28/56/819862856.db2.gz HIUNENMGELXRDW-GJZGRUSLSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237873634 819862865 /nfs/dbraw/zinc/86/28/65/819862865.db2.gz HIUNENMGELXRDW-GJZGRUSLSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001237873634 819862879 /nfs/dbraw/zinc/86/28/79/819862879.db2.gz HIUNENMGELXRDW-GJZGRUSLSA-N 2 2 292.423 3.127 20 0 CGADLP Cc1sccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001237970684 819900333 /nfs/dbraw/zinc/90/03/33/819900333.db2.gz LIQGVWTYSKIMLF-UHFFFAOYSA-N 2 2 296.455 3.455 20 0 CGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cnc1C1CC1 ZINC001238618338 820062519 /nfs/dbraw/zinc/06/25/19/820062519.db2.gz QKBVWQHFTWZQKN-UHFFFAOYSA-N 2 2 287.451 3.185 20 0 CGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cnc1C1CC1 ZINC001238618338 820062530 /nfs/dbraw/zinc/06/25/30/820062530.db2.gz QKBVWQHFTWZQKN-UHFFFAOYSA-N 2 2 287.451 3.185 20 0 CGADLP COc1cc(C)c(C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001238761441 820111837 /nfs/dbraw/zinc/11/18/37/820111837.db2.gz CDAZZOVGLPSBTI-UHFFFAOYSA-N 2 2 299.418 3.346 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(C4CC4)nc3)cc2)C1 ZINC001238855706 820136338 /nfs/dbraw/zinc/13/63/38/820136338.db2.gz DOKWZAUJOOZDJM-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(C4CC4)nc3)cc2)C1 ZINC001238855706 820136340 /nfs/dbraw/zinc/13/63/40/820136340.db2.gz DOKWZAUJOOZDJM-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)c(F)c2)C1 ZINC001239586129 820434810 /nfs/dbraw/zinc/43/48/10/820434810.db2.gz PVSOGJJCNXAUDY-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)c(F)c2)C1 ZINC001239586129 820434814 /nfs/dbraw/zinc/43/48/14/820434814.db2.gz PVSOGJJCNXAUDY-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP c1cn2cc(-c3cccc(C4CC[NH2+]CC4)c3)ccc2[nH+]1 ZINC001240218755 820892514 /nfs/dbraw/zinc/89/25/14/820892514.db2.gz XLCMROUELAIPQC-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240457645 821070252 /nfs/dbraw/zinc/07/02/52/821070252.db2.gz ZYMWRRCTJFHGNM-UHFFFAOYSA-N 2 2 289.382 3.400 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 ZINC001240797527 821340971 /nfs/dbraw/zinc/34/09/71/821340971.db2.gz HRVXILXVFYLOOU-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 ZINC001240797527 821340981 /nfs/dbraw/zinc/34/09/81/821340981.db2.gz HRVXILXVFYLOOU-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP c1cc2c(cc[nH+]c2-c2ccccc2C[NH+]2CCOCC2)[nH]1 ZINC001241980549 822254684 /nfs/dbraw/zinc/25/46/84/822254684.db2.gz VNXOWOZUVVAURP-UHFFFAOYSA-N 2 2 293.370 3.062 20 0 CGADLP FC(F)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001354174724 937093216 /nfs/dbraw/zinc/09/32/16/937093216.db2.gz OWWNZSLNKFCYJM-UHFFFAOYSA-N 2 2 265.307 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2SC)C1 ZINC001560945248 937238842 /nfs/dbraw/zinc/23/88/42/937238842.db2.gz UWQJJAYOUZSREU-HOCLYGCPSA-N 2 2 292.492 3.413 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2SC)C1 ZINC001560945248 937238844 /nfs/dbraw/zinc/23/88/44/937238844.db2.gz UWQJJAYOUZSREU-HOCLYGCPSA-N 2 2 292.492 3.413 20 0 CGADLP Cc1nc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001458118150 937452113 /nfs/dbraw/zinc/45/21/13/937452113.db2.gz JTYPJTDAHUAWTO-JHJVBQTASA-N 2 2 290.455 3.180 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001461179643 937568069 /nfs/dbraw/zinc/56/80/69/937568069.db2.gz MLEATBYSPGMBHU-JKSUJKDBSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001461179643 937568071 /nfs/dbraw/zinc/56/80/71/937568071.db2.gz MLEATBYSPGMBHU-JKSUJKDBSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001462274154 937629364 /nfs/dbraw/zinc/62/93/64/937629364.db2.gz MZHJRUDOGKYZCD-UHFFFAOYSA-N 2 2 263.772 3.415 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC001462429308 937640822 /nfs/dbraw/zinc/64/08/22/937640822.db2.gz WBAJNLYOODFQBH-HNNXBMFYSA-N 2 2 280.843 3.345 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC001462429308 937640823 /nfs/dbraw/zinc/64/08/23/937640823.db2.gz WBAJNLYOODFQBH-HNNXBMFYSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001307191346 932927094 /nfs/dbraw/zinc/92/70/94/932927094.db2.gz PMCSYZSUQLOWDZ-MRXNPFEDSA-N 2 2 288.439 3.302 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001307191346 932927098 /nfs/dbraw/zinc/92/70/98/932927098.db2.gz PMCSYZSUQLOWDZ-MRXNPFEDSA-N 2 2 288.439 3.302 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001308264220 933084295 /nfs/dbraw/zinc/08/42/95/933084295.db2.gz IWSPSOSXLSGOMN-CAOSSQGBSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001308264220 933084301 /nfs/dbraw/zinc/08/43/01/933084301.db2.gz IWSPSOSXLSGOMN-CAOSSQGBSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC001462646110 937656523 /nfs/dbraw/zinc/65/65/23/937656523.db2.gz NAQQUWVEJSLXBL-ILXRZTDVSA-N 2 2 254.462 3.377 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415550 933107413 /nfs/dbraw/zinc/10/74/13/933107413.db2.gz YGQGXYGANWYMHI-FGTMMUONSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001308415550 933107416 /nfs/dbraw/zinc/10/74/16/933107416.db2.gz YGQGXYGANWYMHI-FGTMMUONSA-N 2 2 296.499 3.028 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001308859130 933191966 /nfs/dbraw/zinc/19/19/66/933191966.db2.gz YJIFYMPMNSUBCP-ARFHVFGLSA-N 2 2 296.499 3.433 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001308859130 933191968 /nfs/dbraw/zinc/19/19/68/933191968.db2.gz YJIFYMPMNSUBCP-ARFHVFGLSA-N 2 2 296.499 3.433 20 0 CGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC001308862973 933192075 /nfs/dbraw/zinc/19/20/75/933192075.db2.gz BQMRDTXYAGKQFH-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCCC1 ZINC001308862973 933192076 /nfs/dbraw/zinc/19/20/76/933192076.db2.gz BQMRDTXYAGKQFH-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP CCC(=CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC ZINC001319606569 933900961 /nfs/dbraw/zinc/90/09/61/933900961.db2.gz BGMDEHJEUJFLRD-UHFFFAOYSA-N 2 2 284.363 3.261 20 0 CGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(C4CCCC4)cc3)C[C@H]21 ZINC001473690148 937817674 /nfs/dbraw/zinc/81/76/74/937817674.db2.gz YGBCACSOAARTDZ-BWTSREIZSA-N 2 2 284.447 3.336 20 0 CGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C4CCCC4)cc3)C[C@H]21 ZINC001473690148 937817676 /nfs/dbraw/zinc/81/76/76/937817676.db2.gz YGBCACSOAARTDZ-BWTSREIZSA-N 2 2 284.447 3.336 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC001329024545 935179064 /nfs/dbraw/zinc/17/90/64/935179064.db2.gz UDKIBFIZIGNRJZ-OLZOCXBDSA-N 2 2 289.448 3.459 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001329574909 935229485 /nfs/dbraw/zinc/22/94/85/935229485.db2.gz WPIBDXIIGNCGDD-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001329574909 935229488 /nfs/dbraw/zinc/22/94/88/935229488.db2.gz WPIBDXIIGNCGDD-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP CCc1ccc(NC2CC[NH+](CC(C)C)CC2)[nH+]c1 ZINC001337774892 936287942 /nfs/dbraw/zinc/28/79/42/936287942.db2.gz DEUCRHUVZNZCAE-UHFFFAOYSA-N 2 2 261.413 3.176 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC001473926709 937830601 /nfs/dbraw/zinc/83/06/01/937830601.db2.gz FEEIAOXIYOOLHF-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)CC(C)(C)C1 ZINC001474033862 937836614 /nfs/dbraw/zinc/83/66/14/937836614.db2.gz CYEFODJIXFONHJ-SQWLQELKSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549035823 938154542 /nfs/dbraw/zinc/15/45/42/938154542.db2.gz CHRAMOVGTNOMIQ-CABCVRRESA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549035823 938154543 /nfs/dbraw/zinc/15/45/43/938154543.db2.gz CHRAMOVGTNOMIQ-CABCVRRESA-N 2 2 290.407 3.122 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187134 938246423 /nfs/dbraw/zinc/24/64/23/938246423.db2.gz ZLOYNIIFAWPESH-BJJXKVORSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001560187134 938246424 /nfs/dbraw/zinc/24/64/24/938246424.db2.gz ZLOYNIIFAWPESH-BJJXKVORSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001560187134 938246425 /nfs/dbraw/zinc/24/64/25/938246425.db2.gz ZLOYNIIFAWPESH-BJJXKVORSA-N 2 2 278.827 3.285 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001560187134 938246426 /nfs/dbraw/zinc/24/64/26/938246426.db2.gz ZLOYNIIFAWPESH-BJJXKVORSA-N 2 2 278.827 3.285 20 0 CGADLP CC[C@H]1C[C@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001560291640 938251451 /nfs/dbraw/zinc/25/14/51/938251451.db2.gz AGKVKAXWBDSCDZ-WBVHZDCISA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC001560365247 938255586 /nfs/dbraw/zinc/25/55/86/938255586.db2.gz QVYGBZYUKONDEW-HUUCEWRRSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC001560531676 938261906 /nfs/dbraw/zinc/26/19/06/938261906.db2.gz JMXPKHNHRSZLEE-HNNXBMFYSA-N 2 2 292.386 3.161 20 0 CGADLP CC(C)C1(C[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001560805777 938276588 /nfs/dbraw/zinc/27/65/88/938276588.db2.gz LPYOGVIGKWUKQX-AWEZNQCLSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)C1(C[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001560805777 938276590 /nfs/dbraw/zinc/27/65/90/938276590.db2.gz LPYOGVIGKWUKQX-AWEZNQCLSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(C)C)C1 ZINC001560942288 938285291 /nfs/dbraw/zinc/28/52/91/938285291.db2.gz LYEKVUNLNMRONN-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(C)C)C1 ZINC001560942288 938285292 /nfs/dbraw/zinc/28/52/92/938285292.db2.gz LYEKVUNLNMRONN-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)SC1CCCCC1 ZINC001574794997 960471349 /nfs/dbraw/zinc/47/13/49/960471349.db2.gz JNIJVMVAGCNJCM-GOEBONIOSA-N 2 2 282.497 3.126 20 0 CGADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)SC1CCCCC1 ZINC001574794997 960471354 /nfs/dbraw/zinc/47/13/54/960471354.db2.gz JNIJVMVAGCNJCM-GOEBONIOSA-N 2 2 282.497 3.126 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)SC1CCCCC1 ZINC001574794999 960471519 /nfs/dbraw/zinc/47/15/19/960471519.db2.gz JNIJVMVAGCNJCM-ZBFHGGJFSA-N 2 2 282.497 3.126 20 0 CGADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)SC1CCCCC1 ZINC001574794999 960471526 /nfs/dbraw/zinc/47/15/26/960471526.db2.gz JNIJVMVAGCNJCM-ZBFHGGJFSA-N 2 2 282.497 3.126 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001577397178 960474026 /nfs/dbraw/zinc/47/40/26/960474026.db2.gz OBVPSOVHHCCREC-NSHDSACASA-N 2 2 290.329 3.034 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](COC)CC(C)(C)C ZINC001578275641 962587190 /nfs/dbraw/zinc/58/71/90/962587190.db2.gz UEIWWJVYSMGSOT-NVXWUHKLSA-N 2 2 292.467 3.290 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(F)(F)CC1 ZINC001578275341 962588318 /nfs/dbraw/zinc/58/83/18/962588318.db2.gz JBNKEEPNDHDBIV-OAHLLOKOSA-N 2 2 282.378 3.416 20 0 CGADLP CO[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC001578912395 962605179 /nfs/dbraw/zinc/60/51/79/962605179.db2.gz FNMPXYBBSQGEFV-YXAMBPQSSA-N 2 2 296.842 3.004 20 0 CGADLP COc1ccc(C[C@@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC001579206872 962609060 /nfs/dbraw/zinc/60/90/60/962609060.db2.gz ZDARDQICHLEYHT-OAHLLOKOSA-N 2 2 292.467 3.194 20 0 CGADLP COc1ccc(C[C@@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC001579206872 962609066 /nfs/dbraw/zinc/60/90/66/962609066.db2.gz ZDARDQICHLEYHT-OAHLLOKOSA-N 2 2 292.467 3.194 20 0 CGADLP [NH3+]CC[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001580311386 962715657 /nfs/dbraw/zinc/71/56/57/962715657.db2.gz RVKMBJHJSUGDPM-CYBMUJFWSA-N 2 2 274.433 3.115 20 0 CGADLP [NH3+]CC[N@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001580311386 962715669 /nfs/dbraw/zinc/71/56/69/962715669.db2.gz RVKMBJHJSUGDPM-CYBMUJFWSA-N 2 2 274.433 3.115 20 0 CGADLP Cn1c(CCC[NH2+]Cc2ccsc2)[nH+]c2ccccc21 ZINC000124411204 187136368 /nfs/dbraw/zinc/13/63/68/187136368.db2.gz XWSNLHWGQQFMJO-UHFFFAOYSA-N 2 2 285.416 3.357 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261529 349484275 /nfs/dbraw/zinc/48/42/75/349484275.db2.gz TYZSGHOECQLINT-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261529 349484277 /nfs/dbraw/zinc/48/42/77/349484277.db2.gz TYZSGHOECQLINT-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261529 349484280 /nfs/dbraw/zinc/48/42/80/349484280.db2.gz TYZSGHOECQLINT-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Cl)c2)C[C@H]1C ZINC000621261529 349484282 /nfs/dbraw/zinc/48/42/82/349484282.db2.gz TYZSGHOECQLINT-IUODEOHRSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000273065656 192034220 /nfs/dbraw/zinc/03/42/20/192034220.db2.gz NKLSCDFHYPKSOO-HZPDHXFCSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000294960948 199271947 /nfs/dbraw/zinc/27/19/47/199271947.db2.gz DWDOITNCYUCLLL-VDERGJSUSA-N 2 2 278.465 3.019 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000337664023 214204261 /nfs/dbraw/zinc/20/42/61/214204261.db2.gz OFROEVANSYXHOB-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCCC1 ZINC000337664023 214204263 /nfs/dbraw/zinc/20/42/63/214204263.db2.gz OFROEVANSYXHOB-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676046 398267328 /nfs/dbraw/zinc/26/73/28/398267328.db2.gz MNWZFSBGPLFXOQ-GWCFXTLKSA-N 2 2 293.773 3.341 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797558 398290020 /nfs/dbraw/zinc/29/00/20/398290020.db2.gz YHSFPLFMRVZOQJ-GOEBONIOSA-N 2 2 261.413 3.278 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152980069 529398213 /nfs/dbraw/zinc/39/82/13/529398213.db2.gz PLDHDZIMXJJJRP-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152980069 529398216 /nfs/dbraw/zinc/39/82/16/529398216.db2.gz PLDHDZIMXJJJRP-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993438 214349763 /nfs/dbraw/zinc/34/97/63/214349763.db2.gz HHHABEGMIUGJDE-DLBZAZTESA-N 2 2 294.483 3.044 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000337998164 214352977 /nfs/dbraw/zinc/35/29/77/214352977.db2.gz MNWARCZZHNFDFV-ZWKOTPCHSA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000337998164 214352980 /nfs/dbraw/zinc/35/29/80/214352980.db2.gz MNWARCZZHNFDFV-ZWKOTPCHSA-N 2 2 272.436 3.287 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(C4CCC4)CC3)c[nH+]c12 ZINC000651959420 398312822 /nfs/dbraw/zinc/31/28/22/398312822.db2.gz LPDBSYYTCXAOMZ-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP FC1(F)C[C@@]12CC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000652063625 398321835 /nfs/dbraw/zinc/32/18/35/398321835.db2.gz QJTOONXDZSFWKF-CYBMUJFWSA-N 2 2 295.358 3.165 20 0 CGADLP FC1(F)C[C@@]12CC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000652063625 398321836 /nfs/dbraw/zinc/32/18/36/398321836.db2.gz QJTOONXDZSFWKF-CYBMUJFWSA-N 2 2 295.358 3.165 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423442897 529501072 /nfs/dbraw/zinc/50/10/72/529501072.db2.gz KGMGEASWPFXDBY-TUAOUCFPSA-N 2 2 260.381 3.382 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000423482059 529568776 /nfs/dbraw/zinc/56/87/76/529568776.db2.gz XDEQIUWEGBTENR-DGCLKSJQSA-N 2 2 270.804 3.127 20 0 CGADLP Cc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1C ZINC000623088969 349759125 /nfs/dbraw/zinc/75/91/25/349759125.db2.gz OISUDULVEGYEHI-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)[C@H]1C[C@@H]1C ZINC000414159936 529668880 /nfs/dbraw/zinc/66/88/80/529668880.db2.gz YWVPFSSCHKBCQP-XDKFSHSGSA-N 2 2 290.451 3.322 20 0 CGADLP C[NH2+]CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423225536 290670153 /nfs/dbraw/zinc/67/01/53/290670153.db2.gz NCYHXVNCWXUFPX-LBPRGKRZSA-N 2 2 270.829 3.076 20 0 CGADLP Cc1csc([C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431365 349808028 /nfs/dbraw/zinc/80/80/28/349808028.db2.gz BZWRMEOJJBMISE-KBPBESRZSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1csc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431365 349808030 /nfs/dbraw/zinc/80/80/30/349808030.db2.gz BZWRMEOJJBMISE-KBPBESRZSA-N 2 2 293.480 3.365 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000351506559 136380587 /nfs/dbraw/zinc/38/05/87/136380587.db2.gz USRDLLCGCIPECT-KGLIPLIRSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000351506559 136380588 /nfs/dbraw/zinc/38/05/88/136380588.db2.gz USRDLLCGCIPECT-KGLIPLIRSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000133064766 136390038 /nfs/dbraw/zinc/39/00/38/136390038.db2.gz OGMXKFAADWEHNA-UHFFFAOYSA-N 2 2 275.440 3.285 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000591915735 346946715 /nfs/dbraw/zinc/94/67/15/346946715.db2.gz KAYBJSDSSNRNIN-CQSZACIVSA-N 2 2 290.436 3.129 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000591915735 346946716 /nfs/dbraw/zinc/94/67/16/346946716.db2.gz KAYBJSDSSNRNIN-CQSZACIVSA-N 2 2 290.436 3.129 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830282 187264562 /nfs/dbraw/zinc/26/45/62/187264562.db2.gz OTYVERYVEMYLPJ-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830282 187264564 /nfs/dbraw/zinc/26/45/64/187264564.db2.gz OTYVERYVEMYLPJ-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CC34CCCCC4)c[nH+]c12 ZINC000623568290 349836743 /nfs/dbraw/zinc/83/67/43/349836743.db2.gz WVMBVYRZUFOYLR-HNNXBMFYSA-N 2 2 269.392 3.455 20 0 CGADLP CCC(F)(F)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000623679210 349864663 /nfs/dbraw/zinc/86/46/63/349864663.db2.gz MGPQATZTZSLYMD-UHFFFAOYSA-N 2 2 271.336 3.069 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC000359597264 529899044 /nfs/dbraw/zinc/89/90/44/529899044.db2.gz NTOFUMINSADRRL-MRXNPFEDSA-N 2 2 283.419 3.010 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC000359597264 529899045 /nfs/dbraw/zinc/89/90/45/529899045.db2.gz NTOFUMINSADRRL-MRXNPFEDSA-N 2 2 283.419 3.010 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC(F)F)cc1C ZINC000623785998 349884210 /nfs/dbraw/zinc/88/42/10/349884210.db2.gz QSOPSRLRQLUCIA-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC(F)F)cc1C ZINC000623785998 349884212 /nfs/dbraw/zinc/88/42/12/349884212.db2.gz QSOPSRLRQLUCIA-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000623786504 349884369 /nfs/dbraw/zinc/88/43/69/349884369.db2.gz VFDSDPKNKCGXDQ-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000623786504 349884371 /nfs/dbraw/zinc/88/43/71/349884371.db2.gz VFDSDPKNKCGXDQ-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP Clc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351551079 219124486 /nfs/dbraw/zinc/12/44/86/219124486.db2.gz RSCFMOHZIOIXQK-UHFFFAOYSA-N 2 2 298.777 3.014 20 0 CGADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000351600015 219140781 /nfs/dbraw/zinc/14/07/81/219140781.db2.gz MEKTUPUMHYHPGP-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000351600015 219140782 /nfs/dbraw/zinc/14/07/82/219140782.db2.gz MEKTUPUMHYHPGP-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000351600015 219140784 /nfs/dbraw/zinc/14/07/84/219140784.db2.gz MEKTUPUMHYHPGP-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000351600015 219140785 /nfs/dbraw/zinc/14/07/85/219140785.db2.gz MEKTUPUMHYHPGP-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162225888 530063728 /nfs/dbraw/zinc/06/37/28/530063728.db2.gz ZYYCWRIOTCODAD-ZDUSSCGKSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000162225888 530063729 /nfs/dbraw/zinc/06/37/29/530063729.db2.gz ZYYCWRIOTCODAD-ZDUSSCGKSA-N 2 2 290.304 3.028 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000040621891 344964397 /nfs/dbraw/zinc/96/43/97/344964397.db2.gz VYKNYEARQNSJGG-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000040621891 344964399 /nfs/dbraw/zinc/96/43/99/344964399.db2.gz VYKNYEARQNSJGG-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP c1cn([C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)c[nH+]1 ZINC000623937066 349921934 /nfs/dbraw/zinc/92/19/34/349921934.db2.gz SSYHIDVNWPXFJZ-HNNXBMFYSA-N 2 2 278.359 3.273 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053375304 345118726 /nfs/dbraw/zinc/11/87/26/345118726.db2.gz BITVIBQSAXOREG-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053375304 345118727 /nfs/dbraw/zinc/11/87/27/345118727.db2.gz BITVIBQSAXOREG-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000062426858 345238528 /nfs/dbraw/zinc/23/85/28/345238528.db2.gz CSDKXLPPQZLFPG-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000062426858 345238533 /nfs/dbraw/zinc/23/85/33/345238533.db2.gz CSDKXLPPQZLFPG-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000063105792 345243190 /nfs/dbraw/zinc/24/31/90/345243190.db2.gz QOUOIQXJIGICPK-CQSZACIVSA-N 2 2 281.403 3.439 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000063105792 345243194 /nfs/dbraw/zinc/24/31/94/345243194.db2.gz QOUOIQXJIGICPK-CQSZACIVSA-N 2 2 281.403 3.439 20 0 CGADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc(C)[nH+]1 ZINC000067904904 345337697 /nfs/dbraw/zinc/33/76/97/345337697.db2.gz QFPCBKMQHFIXBS-UHFFFAOYSA-N 2 2 297.337 3.030 20 0 CGADLP Cc1nc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@H+]2C)sc1C ZINC000089615766 232180438 /nfs/dbraw/zinc/18/04/38/232180438.db2.gz CLAFVPZMDVHKFQ-ZDUSSCGKSA-N 2 2 281.469 3.069 20 0 CGADLP Cc1nc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)sc1C ZINC000089615766 232180440 /nfs/dbraw/zinc/18/04/40/232180440.db2.gz CLAFVPZMDVHKFQ-ZDUSSCGKSA-N 2 2 281.469 3.069 20 0 CGADLP CC(C[NH+](C)Cc1ccco1)C[N@H+](C)Cc1ccco1 ZINC000074328677 345466495 /nfs/dbraw/zinc/46/64/95/345466495.db2.gz VKYUYGHNFAFRMB-UHFFFAOYSA-N 2 2 276.380 3.073 20 0 CGADLP CC(C[NH+](C)Cc1ccco1)C[N@@H+](C)Cc1ccco1 ZINC000074328677 345466498 /nfs/dbraw/zinc/46/64/98/345466498.db2.gz VKYUYGHNFAFRMB-UHFFFAOYSA-N 2 2 276.380 3.073 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295118058 199354403 /nfs/dbraw/zinc/35/44/03/199354403.db2.gz WGWUYEMGNSHQCY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295118058 199354405 /nfs/dbraw/zinc/35/44/05/199354405.db2.gz WGWUYEMGNSHQCY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959883 345691921 /nfs/dbraw/zinc/69/19/21/345691921.db2.gz MYYRNSVFSSLXNV-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959883 345691923 /nfs/dbraw/zinc/69/19/23/345691923.db2.gz MYYRNSVFSSLXNV-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP CC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000089555260 345770743 /nfs/dbraw/zinc/77/07/43/345770743.db2.gz JNTKVXKGUURAQR-UHFFFAOYSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000090047735 345779375 /nfs/dbraw/zinc/77/93/75/345779375.db2.gz FUXFZLNBVYGEJY-AEFFLSMTSA-N 2 2 290.451 3.147 20 0 CGADLP CC(C)c1cc(N2CCC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000090089497 345782331 /nfs/dbraw/zinc/78/23/31/345782331.db2.gz ROTIRVVQHGMHDQ-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000092072572 345830129 /nfs/dbraw/zinc/83/01/29/345830129.db2.gz BUDJVDWOCQJRPQ-ULQDDVLXSA-N 2 2 281.403 3.393 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000092072572 345830134 /nfs/dbraw/zinc/83/01/34/345830134.db2.gz BUDJVDWOCQJRPQ-ULQDDVLXSA-N 2 2 281.403 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553582 346013229 /nfs/dbraw/zinc/01/32/29/346013229.db2.gz HELCXWWTLHSLJZ-ZYHUDNBSSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553582 346013233 /nfs/dbraw/zinc/01/32/33/346013233.db2.gz HELCXWWTLHSLJZ-ZYHUDNBSSA-N 2 2 293.461 3.183 20 0 CGADLP C([C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC000170695346 346196993 /nfs/dbraw/zinc/19/69/93/346196993.db2.gz RHEWBOWDEKIEMJ-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C([C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC000170695346 346196994 /nfs/dbraw/zinc/19/69/94/346196994.db2.gz RHEWBOWDEKIEMJ-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1cccc(C)[nH+]1 ZINC000127578661 187316644 /nfs/dbraw/zinc/31/66/44/187316644.db2.gz AWBHGQQHQKXIDM-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC000295140259 199368236 /nfs/dbraw/zinc/36/82/36/199368236.db2.gz ZJEROXFOWAJJBV-GDBMZVCRSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@H+]1C ZINC000295140259 199368238 /nfs/dbraw/zinc/36/82/38/199368238.db2.gz ZJEROXFOWAJJBV-GDBMZVCRSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140259 199368239 /nfs/dbraw/zinc/36/82/39/199368239.db2.gz ZJEROXFOWAJJBV-GDBMZVCRSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140259 199368241 /nfs/dbraw/zinc/36/82/41/199368241.db2.gz ZJEROXFOWAJJBV-GDBMZVCRSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000247027417 346366996 /nfs/dbraw/zinc/36/69/96/346366996.db2.gz ICZXGUVYHIUMQR-WMZOPIPTSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000247027417 346366997 /nfs/dbraw/zinc/36/69/97/346366997.db2.gz ICZXGUVYHIUMQR-WMZOPIPTSA-N 2 2 272.436 3.350 20 0 CGADLP CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236620292 346341470 /nfs/dbraw/zinc/34/14/70/346341470.db2.gz OJXOHQUJGTXIIS-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236620292 346341471 /nfs/dbraw/zinc/34/14/71/346341471.db2.gz OJXOHQUJGTXIIS-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434699 215166781 /nfs/dbraw/zinc/16/67/81/215166781.db2.gz WNRAGOJSHLDBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434699 215166784 /nfs/dbraw/zinc/16/67/84/215166784.db2.gz WNRAGOJSHLDBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434699 215166785 /nfs/dbraw/zinc/16/67/85/215166785.db2.gz WNRAGOJSHLDBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434699 215166787 /nfs/dbraw/zinc/16/67/87/215166787.db2.gz WNRAGOJSHLDBRP-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188346 349996626 /nfs/dbraw/zinc/99/66/26/349996626.db2.gz FUDNIQBJLBKGDY-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188346 349996630 /nfs/dbraw/zinc/99/66/30/349996630.db2.gz FUDNIQBJLBKGDY-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000358014154 233037961 /nfs/dbraw/zinc/03/79/61/233037961.db2.gz JXLHWZRVJHVRAN-TYILLQQXSA-N 2 2 284.447 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000358014154 233037964 /nfs/dbraw/zinc/03/79/64/233037964.db2.gz JXLHWZRVJHVRAN-TYILLQQXSA-N 2 2 284.447 3.309 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@@H+]1C ZINC000271211103 191002814 /nfs/dbraw/zinc/00/28/14/191002814.db2.gz UQAUPVKQYZBQTL-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@H+]1C ZINC000271211103 191002815 /nfs/dbraw/zinc/00/28/15/191002815.db2.gz UQAUPVKQYZBQTL-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211103 191002818 /nfs/dbraw/zinc/00/28/18/191002818.db2.gz UQAUPVKQYZBQTL-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211103 191002820 /nfs/dbraw/zinc/00/28/20/191002820.db2.gz UQAUPVKQYZBQTL-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP CC[NH+]1CCC(Oc2ccc3c[nH+]ccc3c2)CC1 ZINC000090684652 180023908 /nfs/dbraw/zinc/02/39/08/180023908.db2.gz PABVFVXVSNQDSV-UHFFFAOYSA-N 2 2 256.349 3.098 20 0 CGADLP CCO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000625246095 350146077 /nfs/dbraw/zinc/14/60/77/350146077.db2.gz SKOZWLVGVBSSGS-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP CCO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000625246095 350146082 /nfs/dbraw/zinc/14/60/82/350146082.db2.gz SKOZWLVGVBSSGS-XYVMCAHJSA-N 2 2 294.483 3.139 20 0 CGADLP CCc1ccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000626085974 350258202 /nfs/dbraw/zinc/25/82/02/350258202.db2.gz IILVTPQEBUGWTN-UHFFFAOYSA-N 2 2 283.419 3.325 20 0 CGADLP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)[N@@H+]1CCCC[C@H]1C ZINC000628202431 350438552 /nfs/dbraw/zinc/43/85/52/350438552.db2.gz UCBXYQQWHASADP-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)[N@H+]1CCCC[C@H]1C ZINC000628202431 350438557 /nfs/dbraw/zinc/43/85/57/350438557.db2.gz UCBXYQQWHASADP-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000628156248 350414869 /nfs/dbraw/zinc/41/48/69/350414869.db2.gz IPJABMOOJMCXHL-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000628156248 350414874 /nfs/dbraw/zinc/41/48/74/350414874.db2.gz IPJABMOOJMCXHL-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000628156248 350414876 /nfs/dbraw/zinc/41/48/76/350414876.db2.gz IPJABMOOJMCXHL-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000628156248 350414879 /nfs/dbraw/zinc/41/48/79/350414879.db2.gz IPJABMOOJMCXHL-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)N(C)c1ccc(Cn2c[nH+]c3c2CCCC3)c[nH+]1 ZINC000628372078 350518134 /nfs/dbraw/zinc/51/81/34/350518134.db2.gz YNCSDNCGTIQBBU-UHFFFAOYSA-N 2 2 284.407 3.050 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H](C)C1(F)F ZINC000628390843 350522830 /nfs/dbraw/zinc/52/28/30/350522830.db2.gz PFCLQFYTXSXDLV-TXEJJXNPSA-N 2 2 279.334 3.057 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H](C)C1(F)F ZINC000628390843 350522833 /nfs/dbraw/zinc/52/28/33/350522833.db2.gz PFCLQFYTXSXDLV-TXEJJXNPSA-N 2 2 279.334 3.057 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000629528086 350702993 /nfs/dbraw/zinc/70/29/93/350702993.db2.gz OXJAZPDKVFCBTK-DEQVHRJGSA-N 2 2 264.438 3.417 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000629528356 350703093 /nfs/dbraw/zinc/70/30/93/350703093.db2.gz XCYNSAUHCYFHTP-GVDBMIGSSA-N 2 2 294.414 3.024 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccsc1 ZINC000629527165 350703355 /nfs/dbraw/zinc/70/33/55/350703355.db2.gz MHKSWPBRPUOZLI-BFHYXJOUSA-N 2 2 252.427 3.319 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000629536401 350705948 /nfs/dbraw/zinc/70/59/48/350705948.db2.gz JWWFHPQJYQQQRN-INIZCTEOSA-N 2 2 277.456 3.230 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CCCO2 ZINC000629537741 350706093 /nfs/dbraw/zinc/70/60/93/350706093.db2.gz KRHGDKJUBLXOOD-ZMSDIMECSA-N 2 2 288.435 3.247 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1SC ZINC000629540168 350706732 /nfs/dbraw/zinc/70/67/32/350706732.db2.gz RCHMWQNMNZCFDM-OBJOEFQTSA-N 2 2 294.464 3.208 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000629546718 350710288 /nfs/dbraw/zinc/71/02/88/350710288.db2.gz XEXVEJKIAYLCHW-VUCTXSBTSA-N 2 2 276.399 3.397 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549467 350710972 /nfs/dbraw/zinc/71/09/72/350710972.db2.gz WFWYSTLCKDRZSQ-OUCADQQQSA-N 2 2 258.365 3.142 20 0 CGADLP CC[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000629549198 350711048 /nfs/dbraw/zinc/71/10/48/350711048.db2.gz GPEPFRLFNIRWNF-ROUUACIJSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585102 350714538 /nfs/dbraw/zinc/71/45/38/350714538.db2.gz KCRAIGMJRZGYAD-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585102 350714541 /nfs/dbraw/zinc/71/45/41/350714541.db2.gz KCRAIGMJRZGYAD-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629390973 350687443 /nfs/dbraw/zinc/68/74/43/350687443.db2.gz QHDRZJOMSKWGGL-LSDHHAIUSA-N 2 2 272.392 3.225 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629521118 350700647 /nfs/dbraw/zinc/70/06/47/350700647.db2.gz PRMUHYUGEXPWES-UKRRQHHQSA-N 2 2 292.423 3.237 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000629525024 350701317 /nfs/dbraw/zinc/70/13/17/350701317.db2.gz XVUWRRZBWUANCS-FPMFFAJLSA-N 2 2 258.365 3.224 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000629526461 350701987 /nfs/dbraw/zinc/70/19/87/350701987.db2.gz VIZYJBXLKYTVBI-GVDBMIGSSA-N 2 2 288.435 3.247 20 0 CGADLP Cn1cc[nH+]c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000630051990 350801611 /nfs/dbraw/zinc/80/16/11/350801611.db2.gz GTUDGEUMJVDDTB-UHFFFAOYSA-N 2 2 255.365 3.073 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000631115382 350959766 /nfs/dbraw/zinc/95/97/66/350959766.db2.gz RKNWUQGRTSFWNV-CHYADLBTSA-N 2 2 295.430 3.426 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000631142044 350967821 /nfs/dbraw/zinc/96/78/21/350967821.db2.gz ZWPTUZIMYIURQZ-DWTRPJMMSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000631142044 350967824 /nfs/dbraw/zinc/96/78/24/350967824.db2.gz ZWPTUZIMYIURQZ-DWTRPJMMSA-N 2 2 295.430 3.495 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000112548537 186505569 /nfs/dbraw/zinc/50/55/69/186505569.db2.gz VYBUBHDPJWNXFE-UHFFFAOYSA-N 2 2 296.842 3.181 20 0 CGADLP CC[C@](C)([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)cc1 ZINC000631195082 350987308 /nfs/dbraw/zinc/98/73/08/350987308.db2.gz SNWBDPJNSLOOHT-INIZCTEOSA-N 2 2 275.371 3.283 20 0 CGADLP CCC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000631221479 350995529 /nfs/dbraw/zinc/99/55/29/350995529.db2.gz SVHULRNVJHXNGG-UHFFFAOYSA-N 2 2 289.467 3.462 20 0 CGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000631834955 351149367 /nfs/dbraw/zinc/14/93/67/351149367.db2.gz IXITYQANIFYKNB-AWEZNQCLSA-N 2 2 268.351 3.328 20 0 CGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000631834955 351149371 /nfs/dbraw/zinc/14/93/71/351149371.db2.gz IXITYQANIFYKNB-AWEZNQCLSA-N 2 2 268.351 3.328 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000631887275 351151786 /nfs/dbraw/zinc/15/17/86/351151786.db2.gz QAUYMQGFSFMYQP-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000631887275 351151787 /nfs/dbraw/zinc/15/17/87/351151787.db2.gz QAUYMQGFSFMYQP-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC000631889370 351152955 /nfs/dbraw/zinc/15/29/55/351152955.db2.gz FAEHEZLJOHECHU-SWLSCSKDSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC000631889370 351152959 /nfs/dbraw/zinc/15/29/59/351152959.db2.gz FAEHEZLJOHECHU-SWLSCSKDSA-N 2 2 282.790 3.053 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000271432413 191133215 /nfs/dbraw/zinc/13/32/15/191133215.db2.gz CFYQWPIKHCMEQE-DEYYWGMASA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000271432413 191133216 /nfs/dbraw/zinc/13/32/16/191133216.db2.gz CFYQWPIKHCMEQE-DEYYWGMASA-N 2 2 288.435 3.096 20 0 CGADLP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000634957419 351609588 /nfs/dbraw/zinc/60/95/88/351609588.db2.gz LTNJQJQQRDLEAC-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634993992 351619031 /nfs/dbraw/zinc/61/90/31/351619031.db2.gz MZECUTHSFQLTRZ-BLDCVEFLSA-N 2 2 274.383 3.105 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634993992 351619033 /nfs/dbraw/zinc/61/90/33/351619033.db2.gz MZECUTHSFQLTRZ-BLDCVEFLSA-N 2 2 274.383 3.105 20 0 CGADLP Clc1ccccc1C[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992389 351619399 /nfs/dbraw/zinc/61/93/99/351619399.db2.gz NLWNNIJFMJGFBT-GNHJJJEISA-N 2 2 290.838 3.099 20 0 CGADLP Clc1ccccc1C[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992389 351619401 /nfs/dbraw/zinc/61/94/01/351619401.db2.gz NLWNNIJFMJGFBT-GNHJJJEISA-N 2 2 290.838 3.099 20 0 CGADLP Clc1cccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCC2)c1 ZINC000634996891 351620335 /nfs/dbraw/zinc/62/03/35/351620335.db2.gz XUGPJWRDNJYBPG-UHFFFAOYSA-N 2 2 276.811 3.061 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC(C)(C)c3ccccc32)c1 ZINC000313261414 282770760 /nfs/dbraw/zinc/77/07/60/282770760.db2.gz AJPMPRSCINXPGM-QGZVFWFLSA-N 2 2 283.419 3.365 20 0 CGADLP C[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000291679097 198059945 /nfs/dbraw/zinc/05/99/45/198059945.db2.gz XBZRLXCKZIRJFU-LBPRGKRZSA-N 2 2 275.783 3.156 20 0 CGADLP C[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000291679097 198059947 /nfs/dbraw/zinc/05/99/47/198059947.db2.gz XBZRLXCKZIRJFU-LBPRGKRZSA-N 2 2 275.783 3.156 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1 ZINC000124235920 187127911 /nfs/dbraw/zinc/12/79/11/187127911.db2.gz CLUXZLRAQBJJRD-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)cc1 ZINC000124235920 187127912 /nfs/dbraw/zinc/12/79/12/187127912.db2.gz CLUXZLRAQBJJRD-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000365631413 234118467 /nfs/dbraw/zinc/11/84/67/234118467.db2.gz QSBMTGLSMUKBJQ-GFCCVEGCSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000365631413 234118471 /nfs/dbraw/zinc/11/84/71/234118471.db2.gz QSBMTGLSMUKBJQ-GFCCVEGCSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000365663073 234119972 /nfs/dbraw/zinc/11/99/72/234119972.db2.gz MBFHXWJWUIHBTC-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000365663073 234119976 /nfs/dbraw/zinc/11/99/76/234119976.db2.gz MBFHXWJWUIHBTC-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Fc1ccc(C2CC([NH2+]Cc3c[nH+]c4n3CCCC4)C2)cc1 ZINC000367435745 234215791 /nfs/dbraw/zinc/21/57/91/234215791.db2.gz CVSVLQUVBVQPRK-UHFFFAOYSA-N 2 2 299.393 3.394 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000152220636 188002632 /nfs/dbraw/zinc/00/26/32/188002632.db2.gz MVPAOBUIIWQVMO-KGLIPLIRSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(Cl)c1 ZINC000336452623 213318558 /nfs/dbraw/zinc/31/85/58/213318558.db2.gz JEYPNUQDCSARFH-SCZZXKLOSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1csc(Cl)c1 ZINC000336452623 213318560 /nfs/dbraw/zinc/31/85/60/213318560.db2.gz JEYPNUQDCSARFH-SCZZXKLOSA-N 2 2 281.812 3.333 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000368232116 234293216 /nfs/dbraw/zinc/29/32/16/234293216.db2.gz POVDBEFOKUZDDU-INIZCTEOSA-N 2 2 277.371 3.210 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3ccccc3c1)CC2 ZINC000368232116 234293218 /nfs/dbraw/zinc/29/32/18/234293218.db2.gz POVDBEFOKUZDDU-INIZCTEOSA-N 2 2 277.371 3.210 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC23CCCCC3)[nH+]1 ZINC000368472347 234312635 /nfs/dbraw/zinc/31/26/35/234312635.db2.gz WIUZZPDYZMLONM-UHFFFAOYSA-N 2 2 255.365 3.243 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC23CCCCC3)[nH+]1 ZINC000368472347 234312638 /nfs/dbraw/zinc/31/26/38/234312638.db2.gz WIUZZPDYZMLONM-UHFFFAOYSA-N 2 2 255.365 3.243 20 0 CGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155664580 188219917 /nfs/dbraw/zinc/21/99/17/188219917.db2.gz IDJUDLPJQWPXJG-CQSZACIVSA-N 2 2 291.782 3.040 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155727635 188224181 /nfs/dbraw/zinc/22/41/81/188224181.db2.gz YJYLVSDLVQFUTQ-INIZCTEOSA-N 2 2 285.391 3.003 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000156433372 188261903 /nfs/dbraw/zinc/26/19/03/188261903.db2.gz FXWKAEXSBARCED-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000156433372 188261904 /nfs/dbraw/zinc/26/19/04/188261904.db2.gz FXWKAEXSBARCED-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP Clc1ccc([C@@H]2CC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000271879321 191386240 /nfs/dbraw/zinc/38/62/40/191386240.db2.gz BNXXHDGSMSWCLA-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc([C@@H]2CC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000271879321 191386242 /nfs/dbraw/zinc/38/62/42/191386242.db2.gz BNXXHDGSMSWCLA-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Cc1cc([C@H]([NH2+]CCc2cn(C)c[nH+]2)C2CC2)ccc1F ZINC000414123847 235341473 /nfs/dbraw/zinc/34/14/73/235341473.db2.gz KCBPNAAAXGBTEQ-QGZVFWFLSA-N 2 2 287.382 3.151 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000174413980 188898180 /nfs/dbraw/zinc/89/81/80/188898180.db2.gz ODBLPRRPQHDBPL-UONOGXRCSA-N 2 2 271.408 3.284 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]C2CC3(C2)CCCCC3)CCSC1 ZINC000421338194 235800838 /nfs/dbraw/zinc/80/08/38/235800838.db2.gz BUYOZVUCHRCESG-MRXNPFEDSA-N 2 2 282.497 3.126 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000124238462 138374116 /nfs/dbraw/zinc/37/41/16/138374116.db2.gz WSKYARRHGDFCOT-UHFFFAOYSA-N 2 2 272.795 3.301 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000128425893 138393252 /nfs/dbraw/zinc/39/32/52/138393252.db2.gz TVWZIEVLCNGSKS-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000128425893 138393253 /nfs/dbraw/zinc/39/32/53/138393253.db2.gz TVWZIEVLCNGSKS-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000423232941 236004826 /nfs/dbraw/zinc/00/48/26/236004826.db2.gz CUXZWVILMNHSFT-DLBZAZTESA-N 2 2 270.351 3.103 20 0 CGADLP c1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240927 236006619 /nfs/dbraw/zinc/00/66/19/236006619.db2.gz UKWJRWGEOHPVTA-RBUKOAKNSA-N 2 2 280.415 3.312 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239414 236006811 /nfs/dbraw/zinc/00/68/11/236006811.db2.gz JZOXYIWGYQXGKW-ZWKOTPCHSA-N 2 2 266.388 3.272 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)c1ccccc1 ZINC000423249284 236009144 /nfs/dbraw/zinc/00/91/44/236009144.db2.gz OLPNIPHCNYVXKV-OAGGEKHMSA-N 2 2 264.388 3.194 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423252271 236009982 /nfs/dbraw/zinc/00/99/82/236009982.db2.gz XGXCLRYNDZSUNU-PBHICJAKSA-N 2 2 254.377 3.346 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261097 236012903 /nfs/dbraw/zinc/01/29/03/236012903.db2.gz IZNBWBKQDDDGSL-CZUORRHYSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccnc1 ZINC000423278064 236019987 /nfs/dbraw/zinc/01/99/87/236019987.db2.gz PCUVLIJUVCHVOQ-AWEZNQCLSA-N 2 2 261.413 3.045 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423379847 236056036 /nfs/dbraw/zinc/05/60/36/236056036.db2.gz XXNWIUXLUIWBPQ-WMLDXEAASA-N 2 2 254.377 3.021 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423382332 236057802 /nfs/dbraw/zinc/05/78/02/236057802.db2.gz ILTBJYALNUBSBR-DLBZAZTESA-N 2 2 288.435 3.050 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000423423193 236068582 /nfs/dbraw/zinc/06/85/82/236068582.db2.gz KXMPNXGUFXHJRC-ZBCRRDGASA-N 2 2 294.389 3.287 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(ccc3ccccc23)o1 ZINC000423445466 236073059 /nfs/dbraw/zinc/07/30/59/236073059.db2.gz XWJAQSOODZMYAP-MYRBDLLGSA-N 2 2 292.382 3.454 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000423500024 236088008 /nfs/dbraw/zinc/08/80/08/236088008.db2.gz CNWREBXZQVTNGI-JCGIZDLHSA-N 2 2 266.388 3.093 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCCC[NH2+]C3)oc21 ZINC000423551749 236098012 /nfs/dbraw/zinc/09/80/12/236098012.db2.gz JLZHVQGNWYKPKU-OCCSQVGLSA-N 2 2 288.391 3.234 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423558474 236099215 /nfs/dbraw/zinc/09/92/15/236099215.db2.gz NRSSMBBTXXONQD-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1 ZINC000424132586 236122852 /nfs/dbraw/zinc/12/28/52/236122852.db2.gz KYORNXMRKBLWKA-UHFFFAOYSA-N 2 2 296.405 3.483 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CCC3)cc2)c[nH+]1 ZINC000424204985 236133845 /nfs/dbraw/zinc/13/38/45/236133845.db2.gz VXYYMLLMDZZFKF-DLBZAZTESA-N 2 2 267.376 3.151 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)[NH+](C)C ZINC000449555501 295973996 /nfs/dbraw/zinc/97/39/96/295973996.db2.gz HHIWWBBYAUXSTR-XIRDDKMYSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000294924533 199252344 /nfs/dbraw/zinc/25/23/44/199252344.db2.gz CVVNQYFGLRQQHT-AESZEHBQSA-N 2 2 290.451 3.271 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436295512 237074477 /nfs/dbraw/zinc/07/44/77/237074477.db2.gz HJMGECDLSLVKIV-AEFFLSMTSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436295512 237074480 /nfs/dbraw/zinc/07/44/80/237074480.db2.gz HJMGECDLSLVKIV-AEFFLSMTSA-N 2 2 296.499 3.434 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297593258 200235500 /nfs/dbraw/zinc/23/55/00/200235500.db2.gz SZGMOPWHKKOUQV-MSOLQXFVSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297593258 200235502 /nfs/dbraw/zinc/23/55/02/200235502.db2.gz SZGMOPWHKKOUQV-MSOLQXFVSA-N 2 2 283.419 3.231 20 0 CGADLP Cc1ccc2c(C)cc(NCCn3cc[nH+]c3)[nH+]c2c1 ZINC000298213972 200361960 /nfs/dbraw/zinc/36/19/60/200361960.db2.gz YSPXTLHFCSAZHR-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341895201 216141140 /nfs/dbraw/zinc/14/11/40/216141140.db2.gz NQVYEWFODUHTMY-QILLFSRXSA-N 2 2 299.418 3.338 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178449338 189117593 /nfs/dbraw/zinc/11/75/93/189117593.db2.gz QYPKJRIGERWUTC-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178449338 189117594 /nfs/dbraw/zinc/11/75/94/189117594.db2.gz QYPKJRIGERWUTC-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000178517412 189123214 /nfs/dbraw/zinc/12/32/14/189123214.db2.gz XSPWAZLWPZHSLR-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000178517412 189123215 /nfs/dbraw/zinc/12/32/15/189123215.db2.gz XSPWAZLWPZHSLR-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000179354866 189187993 /nfs/dbraw/zinc/18/79/93/189187993.db2.gz PZEFEYXOHSTSGQ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000179354866 189187994 /nfs/dbraw/zinc/18/79/94/189187994.db2.gz PZEFEYXOHSTSGQ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000179354866 189187995 /nfs/dbraw/zinc/18/79/95/189187995.db2.gz PZEFEYXOHSTSGQ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000179354866 189187996 /nfs/dbraw/zinc/18/79/96/189187996.db2.gz PZEFEYXOHSTSGQ-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc21 ZINC000252793763 283607997 /nfs/dbraw/zinc/60/79/97/283607997.db2.gz XTAQMBPCCADUMH-IKGGRYGDSA-N 2 2 280.371 3.245 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000180010148 189231802 /nfs/dbraw/zinc/23/18/02/189231802.db2.gz LGQVMIZDGDCTDW-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000301512123 201039293 /nfs/dbraw/zinc/03/92/93/201039293.db2.gz FKNZEGQQCYNNHY-PBHICJAKSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000301512123 201039296 /nfs/dbraw/zinc/03/92/96/201039296.db2.gz FKNZEGQQCYNNHY-PBHICJAKSA-N 2 2 296.418 3.108 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119612828 370692178 /nfs/dbraw/zinc/69/21/78/370692178.db2.gz GBMTULDKZDOBDR-FUHWJXTLSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc[nH+]1 ZINC000301512125 201039832 /nfs/dbraw/zinc/03/98/32/201039832.db2.gz FKNZEGQQCYNNHY-WMLDXEAASA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc[nH+]1 ZINC000301512125 201039834 /nfs/dbraw/zinc/03/98/34/201039834.db2.gz FKNZEGQQCYNNHY-WMLDXEAASA-N 2 2 296.418 3.108 20 0 CGADLP COc1cccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000119631447 370693716 /nfs/dbraw/zinc/69/37/16/370693716.db2.gz KCNAEKVCBPNGLV-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342333933 216314882 /nfs/dbraw/zinc/31/48/82/216314882.db2.gz SDVKPLVDKLDKMX-SMDDNHRTSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342333933 216314885 /nfs/dbraw/zinc/31/48/85/216314885.db2.gz SDVKPLVDKLDKMX-SMDDNHRTSA-N 2 2 286.341 3.054 20 0 CGADLP c1coc([C@@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183180061 189348830 /nfs/dbraw/zinc/34/88/30/189348830.db2.gz BBVPIKMVZOUBDC-HNNXBMFYSA-N 2 2 273.380 3.484 20 0 CGADLP c1coc([C@@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183180061 189348831 /nfs/dbraw/zinc/34/88/31/189348831.db2.gz BBVPIKMVZOUBDC-HNNXBMFYSA-N 2 2 273.380 3.484 20 0 CGADLP Cc1cccc(NC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000183191868 189349563 /nfs/dbraw/zinc/34/95/63/189349563.db2.gz LCPZDHYUJWFZKI-UHFFFAOYSA-N 2 2 298.434 3.158 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1F ZINC000183214163 189350400 /nfs/dbraw/zinc/35/04/00/189350400.db2.gz MNFVGFSAPLEFOL-LLVKDONJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C/C=C/c1ccncc1 ZINC000342420287 216346819 /nfs/dbraw/zinc/34/68/19/216346819.db2.gz KJRFXENPAPDVCD-RCMYXZNBSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C/C=C/c1ccncc1 ZINC000342420287 216346821 /nfs/dbraw/zinc/34/68/21/216346821.db2.gz KJRFXENPAPDVCD-RCMYXZNBSA-N 2 2 295.430 3.205 20 0 CGADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000301889465 201249102 /nfs/dbraw/zinc/24/91/02/201249102.db2.gz QJSWGUSEAPKHPI-MRXNPFEDSA-N 2 2 298.365 3.417 20 0 CGADLP CCc1cc(NCC[N@H+]2CCCC[C@H]2CC)nc(C)[nH+]1 ZINC000302068458 201329134 /nfs/dbraw/zinc/32/91/34/201329134.db2.gz XCAGZRWSVWHQGO-OAHLLOKOSA-N 2 2 276.428 3.024 20 0 CGADLP CCc1cc(NCC[N@@H+]2CCCC[C@H]2CC)nc(C)[nH+]1 ZINC000302068458 201329138 /nfs/dbraw/zinc/32/91/38/201329138.db2.gz XCAGZRWSVWHQGO-OAHLLOKOSA-N 2 2 276.428 3.024 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103415 239177623 /nfs/dbraw/zinc/17/76/23/239177623.db2.gz QFHLHRHSKKEZDD-UKRRQHHQSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103415 239177628 /nfs/dbraw/zinc/17/76/28/239177628.db2.gz QFHLHRHSKKEZDD-UKRRQHHQSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000449125213 239189975 /nfs/dbraw/zinc/18/99/75/239189975.db2.gz QZGXQTQKMAZHTL-CQSZACIVSA-N 2 2 273.380 3.088 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449156011 239211337 /nfs/dbraw/zinc/21/13/37/239211337.db2.gz RDXUBHXPVKSSPO-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449156011 239211341 /nfs/dbraw/zinc/21/13/41/239211341.db2.gz RDXUBHXPVKSSPO-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449192748 239235480 /nfs/dbraw/zinc/23/54/80/239235480.db2.gz MDICOXCYVNZYCH-IYOUNJFTSA-N 2 2 298.430 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449192748 239235483 /nfs/dbraw/zinc/23/54/83/239235483.db2.gz MDICOXCYVNZYCH-IYOUNJFTSA-N 2 2 298.430 3.436 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000342616673 216435234 /nfs/dbraw/zinc/43/52/34/216435234.db2.gz PZBUNGNYONVXMS-MRXNPFEDSA-N 2 2 269.392 3.210 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335574647 212285743 /nfs/dbraw/zinc/28/57/43/212285743.db2.gz FVHBIQMLOCKIRY-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000335574647 212285744 /nfs/dbraw/zinc/28/57/44/212285744.db2.gz FVHBIQMLOCKIRY-STQMWFEESA-N 2 2 283.366 3.415 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000120687581 370791403 /nfs/dbraw/zinc/79/14/03/370791403.db2.gz VKXPGPCBOVPPMM-MAUKXSAKSA-N 2 2 287.451 3.214 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000459311509 242066428 /nfs/dbraw/zinc/06/64/28/242066428.db2.gz XRZUNKQRGXPCSG-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000459311509 242066431 /nfs/dbraw/zinc/06/64/31/242066431.db2.gz XRZUNKQRGXPCSG-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP c1nc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)o1 ZINC000459452587 242113818 /nfs/dbraw/zinc/11/38/18/242113818.db2.gz WDTRZVPGYVSXMP-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000459660114 242167305 /nfs/dbraw/zinc/16/73/05/242167305.db2.gz TVMUWFUVUBKEBZ-SJLPKXTDSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000459677752 242176001 /nfs/dbraw/zinc/17/60/01/242176001.db2.gz QBOPQGCQKZSXLQ-DYVFJYSZSA-N 2 2 291.439 3.116 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462687131 242358183 /nfs/dbraw/zinc/35/81/83/242358183.db2.gz RPNFDJUXBZAXLV-ARFHVFGLSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000462687131 242358188 /nfs/dbraw/zinc/35/81/88/242358188.db2.gz RPNFDJUXBZAXLV-ARFHVFGLSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1Cl ZINC000462816230 242366971 /nfs/dbraw/zinc/36/69/71/242366971.db2.gz FIZCFJHIGUQHJC-DYVFJYSZSA-N 2 2 292.854 3.263 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Cl ZINC000462816230 242366973 /nfs/dbraw/zinc/36/69/73/242366973.db2.gz FIZCFJHIGUQHJC-DYVFJYSZSA-N 2 2 292.854 3.263 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000462819989 242367081 /nfs/dbraw/zinc/36/70/81/242367081.db2.gz MBPMNWZXJOZSKE-ZFWWWQNUSA-N 2 2 292.854 3.406 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000462819989 242367087 /nfs/dbraw/zinc/36/70/87/242367087.db2.gz MBPMNWZXJOZSKE-ZFWWWQNUSA-N 2 2 292.854 3.406 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000361345256 294317591 /nfs/dbraw/zinc/31/75/91/294317591.db2.gz IHJAVAQEPVSACU-BFYDXBDKSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000361345256 294317598 /nfs/dbraw/zinc/31/75/98/294317598.db2.gz IHJAVAQEPVSACU-BFYDXBDKSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498296 212177639 /nfs/dbraw/zinc/17/76/39/212177639.db2.gz IUNWBWOFKUQLIG-AAEUAGOBSA-N 2 2 275.421 3.089 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000479441443 243103666 /nfs/dbraw/zinc/10/36/66/243103666.db2.gz UIQLHXWXFAKKAF-PBHICJAKSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000479441443 243103669 /nfs/dbraw/zinc/10/36/69/243103669.db2.gz UIQLHXWXFAKKAF-PBHICJAKSA-N 2 2 272.436 3.354 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480263293 243142901 /nfs/dbraw/zinc/14/29/01/243142901.db2.gz LRASDSVXPRKTIZ-CHWSQXEVSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480263293 243142903 /nfs/dbraw/zinc/14/29/03/243142903.db2.gz LRASDSVXPRKTIZ-CHWSQXEVSA-N 2 2 280.378 3.429 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000482507822 243230477 /nfs/dbraw/zinc/23/04/77/243230477.db2.gz IMGGEHDNUBIICK-DOTOQJQBSA-N 2 2 262.441 3.184 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC000484467178 243312798 /nfs/dbraw/zinc/31/27/98/243312798.db2.gz NKAZCHFJHLEKOV-HZPDHXFCSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484481193 243313928 /nfs/dbraw/zinc/31/39/28/243313928.db2.gz DERQYTSUISAVJO-ARFHVFGLSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000483974412 243304585 /nfs/dbraw/zinc/30/45/85/243304585.db2.gz HBIHQCDXCLGMRC-ZFWWWQNUSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000483974412 243304589 /nfs/dbraw/zinc/30/45/89/243304589.db2.gz HBIHQCDXCLGMRC-ZFWWWQNUSA-N 2 2 269.392 3.411 20 0 CGADLP c1c(CC[NH2+]CCC2CCCCC2)[nH+]c2ccccn12 ZINC000483308895 243275011 /nfs/dbraw/zinc/27/50/11/243275011.db2.gz QYALNFOOMVLIJW-UHFFFAOYSA-N 2 2 271.408 3.437 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C/C=C\c1ccncc1 ZINC000486968244 243388294 /nfs/dbraw/zinc/38/82/94/243388294.db2.gz NRDVUHRIFCRRQQ-PLNGDYQASA-N 2 2 292.386 3.043 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000123227820 370909801 /nfs/dbraw/zinc/90/98/01/370909801.db2.gz YQGXNXAPIZSTQA-CJNGLKHVSA-N 2 2 260.425 3.339 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000123227820 370909806 /nfs/dbraw/zinc/90/98/06/370909806.db2.gz YQGXNXAPIZSTQA-CJNGLKHVSA-N 2 2 260.425 3.339 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020091972 368800883 /nfs/dbraw/zinc/80/08/83/368800883.db2.gz UDGZHBQQSOHKRK-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020091972 368800886 /nfs/dbraw/zinc/80/08/86/368800886.db2.gz UDGZHBQQSOHKRK-JSGCOSHPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000019943138 368787704 /nfs/dbraw/zinc/78/77/04/368787704.db2.gz DISYFMRECICEFT-LBPRGKRZSA-N 2 2 270.367 3.347 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451840 369002890 /nfs/dbraw/zinc/00/28/90/369002890.db2.gz NGGKWTGCGJWWFO-GJZGRUSLSA-N 2 2 266.429 3.167 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000036932167 369040074 /nfs/dbraw/zinc/04/00/74/369040074.db2.gz XTKJCDGICKCPNZ-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996637 369048996 /nfs/dbraw/zinc/04/89/96/369048996.db2.gz VFEWUDXRCXHVIO-USXIJHARSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996637 369049000 /nfs/dbraw/zinc/04/90/00/369049000.db2.gz VFEWUDXRCXHVIO-USXIJHARSA-N 2 2 288.435 3.363 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000037157131 369072179 /nfs/dbraw/zinc/07/21/79/369072179.db2.gz BGTGGMYDGXKWAP-ZBFHGGJFSA-N 2 2 257.381 3.403 20 0 CGADLP c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037228694 369076422 /nfs/dbraw/zinc/07/64/22/369076422.db2.gz DSCVGUHDFTUEHC-MSOLQXFVSA-N 2 2 272.436 3.398 20 0 CGADLP c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCC2)cc1 ZINC000037228693 369077275 /nfs/dbraw/zinc/07/72/75/369077275.db2.gz DSCVGUHDFTUEHC-ROUUACIJSA-N 2 2 272.436 3.398 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccccn1 ZINC000037901096 369123342 /nfs/dbraw/zinc/12/33/42/369123342.db2.gz GJMLEFNSWZASPX-OAHLLOKOSA-N 2 2 275.440 3.387 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccn1 ZINC000037901096 369123350 /nfs/dbraw/zinc/12/33/50/369123350.db2.gz GJMLEFNSWZASPX-OAHLLOKOSA-N 2 2 275.440 3.387 20 0 CGADLP c1cn(CC[NH2+]Cc2ccc(-c3ccccc3)s2)c[nH+]1 ZINC000041063706 369170074 /nfs/dbraw/zinc/17/00/74/369170074.db2.gz OGHAYPUMDYUQAB-UHFFFAOYSA-N 2 2 283.400 3.401 20 0 CGADLP CC[NH+](CC)C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000041677271 369194981 /nfs/dbraw/zinc/19/49/81/369194981.db2.gz ZBUKVCVSESSJNB-ZDUSSCGKSA-N 2 2 264.417 3.051 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684774 369266190 /nfs/dbraw/zinc/26/61/90/369266190.db2.gz MILKMRPCCITPBC-HOCLYGCPSA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684774 369266194 /nfs/dbraw/zinc/26/61/94/369266194.db2.gz MILKMRPCCITPBC-HOCLYGCPSA-N 2 2 288.435 3.361 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494410377 244286705 /nfs/dbraw/zinc/28/67/05/244286705.db2.gz FNJAVLPUOMTWLN-ZDUSSCGKSA-N 2 2 281.359 3.042 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494439647 244290217 /nfs/dbraw/zinc/29/02/17/244290217.db2.gz VCYBBNZOSHDOOP-CYBMUJFWSA-N 2 2 295.308 3.007 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663540 369284000 /nfs/dbraw/zinc/28/40/00/369284000.db2.gz YAIGJLNNIIWWRT-CYBMUJFWSA-N 2 2 266.454 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1C ZINC000494876689 244325872 /nfs/dbraw/zinc/32/58/72/244325872.db2.gz FHMNSPZZPQDZTC-LMSBXDPUSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000494905391 244328991 /nfs/dbraw/zinc/32/89/91/244328991.db2.gz DRCWASMNRYPWLA-TYNCELHUSA-N 2 2 257.381 3.130 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000049538772 369408145 /nfs/dbraw/zinc/40/81/45/369408145.db2.gz RHNOIGJAQQKGAT-HZMBPMFUSA-N 2 2 275.421 3.111 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000053201411 369480484 /nfs/dbraw/zinc/48/04/84/369480484.db2.gz DVCOTXPFSFGQBO-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000053201411 369480487 /nfs/dbraw/zinc/48/04/87/369480487.db2.gz DVCOTXPFSFGQBO-INIZCTEOSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000422732165 296145036 /nfs/dbraw/zinc/14/50/36/296145036.db2.gz PHKGTEHLNQGNCX-JGVFFNPUSA-N 2 2 291.197 3.391 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500913 369719129 /nfs/dbraw/zinc/71/91/29/369719129.db2.gz OSWKGBVZJPGADB-OAHLLOKOSA-N 2 2 287.407 3.096 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068690462 369746904 /nfs/dbraw/zinc/74/69/04/369746904.db2.gz RHZCEVPYGKVNAK-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068690462 369746909 /nfs/dbraw/zinc/74/69/09/369746909.db2.gz RHZCEVPYGKVNAK-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000070074617 369779448 /nfs/dbraw/zinc/77/94/48/369779448.db2.gz FGVHFQCVPBMIEU-DGCLKSJQSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000070074617 369779453 /nfs/dbraw/zinc/77/94/53/369779453.db2.gz FGVHFQCVPBMIEU-DGCLKSJQSA-N 2 2 297.240 3.008 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000076001152 369925074 /nfs/dbraw/zinc/92/50/74/369925074.db2.gz GAKMNIYVPJMNPJ-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000076001152 369925077 /nfs/dbraw/zinc/92/50/77/369925077.db2.gz GAKMNIYVPJMNPJ-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1(C)CC1 ZINC000090667348 370063596 /nfs/dbraw/zinc/06/35/96/370063596.db2.gz LJUJJGHKTWPKKI-HUUCEWRRSA-N 2 2 287.451 3.385 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2[nH]ccc21 ZINC000091893023 370078873 /nfs/dbraw/zinc/07/88/73/370078873.db2.gz UHGAZPYHCPJLRX-CVEARBPZSA-N 2 2 283.419 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2[nH]ccc21 ZINC000091893023 370078876 /nfs/dbraw/zinc/07/88/76/370078876.db2.gz UHGAZPYHCPJLRX-CVEARBPZSA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2[nH]ccc21 ZINC000091893023 370078880 /nfs/dbraw/zinc/07/88/80/370078880.db2.gz UHGAZPYHCPJLRX-CVEARBPZSA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2[nH]ccc21 ZINC000091893023 370078882 /nfs/dbraw/zinc/07/88/82/370078882.db2.gz UHGAZPYHCPJLRX-CVEARBPZSA-N 2 2 283.419 3.227 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092799911 370101888 /nfs/dbraw/zinc/10/18/88/370101888.db2.gz SNOIRJUNOMJWHT-CABCVRRESA-N 2 2 261.413 3.346 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c1 ZINC000097927651 370257177 /nfs/dbraw/zinc/25/71/77/370257177.db2.gz MPWWGFUKAHENBZ-INIZCTEOSA-N 2 2 274.452 3.390 20 0 CGADLP COc1ccccc1[C@@H](CNc1cccc(C)[nH+]1)[NH+](C)C ZINC000114183578 370492775 /nfs/dbraw/zinc/49/27/75/370492775.db2.gz APXRHQGQSBKHMF-OAHLLOKOSA-N 2 2 285.391 3.113 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000130705033 371053744 /nfs/dbraw/zinc/05/37/44/371053744.db2.gz BTIJRBFJNZINPQ-CYBMUJFWSA-N 2 2 283.375 3.383 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533390 371113416 /nfs/dbraw/zinc/11/34/16/371113416.db2.gz TXNQSYKCOSNBOA-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533390 371113420 /nfs/dbraw/zinc/11/34/20/371113420.db2.gz TXNQSYKCOSNBOA-KOLCDFICSA-N 2 2 273.207 3.163 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000234037736 189820941 /nfs/dbraw/zinc/82/09/41/189820941.db2.gz MJMIIXVLCLEZRS-KBPBESRZSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cnc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000134906671 371373421 /nfs/dbraw/zinc/37/34/21/371373421.db2.gz OVBGUKJQTHJZAH-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000135836801 371450774 /nfs/dbraw/zinc/45/07/74/371450774.db2.gz IHDZMNQWJPAJFO-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCn2c(cc3ccccc32)C1 ZINC000286818243 371556473 /nfs/dbraw/zinc/55/64/73/371556473.db2.gz ASBCVYWMNDMDBL-KRWDZBQOSA-N 2 2 297.446 3.331 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCn2c(cc3ccccc32)C1 ZINC000286818243 371556480 /nfs/dbraw/zinc/55/64/80/371556480.db2.gz ASBCVYWMNDMDBL-KRWDZBQOSA-N 2 2 297.446 3.331 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286818243 371556488 /nfs/dbraw/zinc/55/64/88/371556488.db2.gz ASBCVYWMNDMDBL-KRWDZBQOSA-N 2 2 297.446 3.331 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286818243 371556499 /nfs/dbraw/zinc/55/64/99/371556499.db2.gz ASBCVYWMNDMDBL-KRWDZBQOSA-N 2 2 297.446 3.331 20 0 CGADLP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422707681 371762075 /nfs/dbraw/zinc/76/20/75/371762075.db2.gz ANEVNGLFCZXQFL-JLZZUVOBSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1c[nH+]ccc1N ZINC000422735146 371774372 /nfs/dbraw/zinc/77/43/72/371774372.db2.gz DHRJMWMSRSEJJE-SNVBAGLBSA-N 2 2 290.436 3.099 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000422742124 371779757 /nfs/dbraw/zinc/77/97/57/371779757.db2.gz PKKSYGCVXLLDDO-WMLDXEAASA-N 2 2 285.435 3.323 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422748661 371782762 /nfs/dbraw/zinc/78/27/62/371782762.db2.gz VNOSCUVYJMLSKN-DZGCQCFKSA-N 2 2 272.392 3.361 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000337327904 214009975 /nfs/dbraw/zinc/00/99/75/214009975.db2.gz DNHREUONFGPSOQ-SJLPKXTDSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000337327904 214009976 /nfs/dbraw/zinc/00/99/76/214009976.db2.gz DNHREUONFGPSOQ-SJLPKXTDSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc(SCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422775082 371798960 /nfs/dbraw/zinc/79/89/60/371798960.db2.gz ZUHDNDNIXMDHAZ-ZBFHGGJFSA-N 2 2 278.465 3.207 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000422775092 371799489 /nfs/dbraw/zinc/79/94/89/371799489.db2.gz ZWRWTXHGZKLYLP-OUCADQQQSA-N 2 2 258.365 3.224 20 0 CGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422789995 371811667 /nfs/dbraw/zinc/81/16/67/371811667.db2.gz XGYGDMZFFOPGCM-WMLDXEAASA-N 2 2 296.414 3.375 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422805025 371820523 /nfs/dbraw/zinc/82/05/23/371820523.db2.gz LKJAEOGJFLMEJC-WZRBSPASSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422813123 371824183 /nfs/dbraw/zinc/82/41/83/371824183.db2.gz XMTIKWVRJONWMP-DNVCBOLYSA-N 2 2 295.430 3.369 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000344055477 217030547 /nfs/dbraw/zinc/03/05/47/217030547.db2.gz JLWMGYCAVPKCDT-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000344055477 217030551 /nfs/dbraw/zinc/03/05/51/217030551.db2.gz JLWMGYCAVPKCDT-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422863726 371845128 /nfs/dbraw/zinc/84/51/28/371845128.db2.gz PMSSFGLUAXATBD-TVQRCGJNSA-N 2 2 290.304 3.075 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C)cc1SC)[C@@H]1CCC[NH2+]1 ZINC000422872466 371848309 /nfs/dbraw/zinc/84/83/09/371848309.db2.gz HGEMPRISYOISAY-CABCVRRESA-N 2 2 278.465 3.337 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422882592 371851886 /nfs/dbraw/zinc/85/18/86/371851886.db2.gz AZNZBUZWXLDPKB-KBPBESRZSA-N 2 2 282.815 3.098 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880645 371852171 /nfs/dbraw/zinc/85/21/71/371852171.db2.gz XJAXWBXQZRCUQA-HFBAOOFYSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154534813 371853362 /nfs/dbraw/zinc/85/33/62/371853362.db2.gz BLKXFKZWDHYHSC-WCQYABFASA-N 2 2 281.469 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154534813 371853369 /nfs/dbraw/zinc/85/33/69/371853369.db2.gz BLKXFKZWDHYHSC-WCQYABFASA-N 2 2 281.469 3.320 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCO2 ZINC000154581355 371857447 /nfs/dbraw/zinc/85/74/47/371857447.db2.gz WPHUNZCRVKDJLC-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCO2 ZINC000154581355 371857456 /nfs/dbraw/zinc/85/74/56/371857456.db2.gz WPHUNZCRVKDJLC-NVXWUHKLSA-N 2 2 288.435 3.201 20 0 CGADLP CCCCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422893332 371858076 /nfs/dbraw/zinc/85/80/76/371858076.db2.gz QBNIALLMSCFALB-RHSMWYFYSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918054 371867381 /nfs/dbraw/zinc/86/73/81/371867381.db2.gz HGRNQGPQAMBRRW-GYSYKLTISA-N 2 2 286.341 3.497 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422937224 371881730 /nfs/dbraw/zinc/88/17/30/371881730.db2.gz OBOBTZJSJNEYIJ-SFHVURJKSA-N 2 2 284.378 3.257 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)on1 ZINC000344081584 217042324 /nfs/dbraw/zinc/04/23/24/217042324.db2.gz COZIGOSAHJJIDM-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)on1 ZINC000344081584 217042327 /nfs/dbraw/zinc/04/23/27/217042327.db2.gz COZIGOSAHJJIDM-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000423058935 371939857 /nfs/dbraw/zinc/93/98/57/371939857.db2.gz KTFANBHDQWOQHU-BQFCYCMXSA-N 3 2 291.483 3.093 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422993829 371906194 /nfs/dbraw/zinc/90/61/94/371906194.db2.gz GKSRKNRWAPRNFT-ZIAGYGMSSA-N 2 2 286.341 3.354 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000290184995 371926562 /nfs/dbraw/zinc/92/65/62/371926562.db2.gz ZMNYKAAIBMBNFI-UONOGXRCSA-N 2 2 264.438 3.148 20 0 CGADLP C[C@H](CCC[NH3+])[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000423041555 371930045 /nfs/dbraw/zinc/93/00/45/371930045.db2.gz JLONOKUJFPBWDS-ZJUUUORDSA-N 2 2 254.340 3.071 20 0 CGADLP CC[C@@H]([NH2+]Cc1c(C)oc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423046680 371932043 /nfs/dbraw/zinc/93/20/43/371932043.db2.gz FPPJBLFEZAYCIR-CVEARBPZSA-N 2 2 272.392 3.361 20 0 CGADLP CC(C)(C)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC000423047700 371933316 /nfs/dbraw/zinc/93/33/16/371933316.db2.gz VKNACWPBFVGGTM-MCIGGMRASA-N 2 2 280.378 3.461 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092675 371959093 /nfs/dbraw/zinc/95/90/93/371959093.db2.gz CXYDCNFCUBKROM-DIPIGXQDSA-N 2 2 296.817 3.255 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156379854 371977188 /nfs/dbraw/zinc/97/71/88/371977188.db2.gz GPBWANWYLABTJU-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156379854 371977197 /nfs/dbraw/zinc/97/71/97/371977197.db2.gz GPBWANWYLABTJU-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423136173 371985172 /nfs/dbraw/zinc/98/51/72/371985172.db2.gz USSADKHEKSYFEC-CZUORRHYSA-N 2 2 278.465 3.419 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000290418944 371986732 /nfs/dbraw/zinc/98/67/32/371986732.db2.gz QTNNYTTUGSDAHJ-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423143404 371989368 /nfs/dbraw/zinc/98/93/68/371989368.db2.gz CZINEXUTLAJWGA-CABCVRRESA-N 2 2 298.377 3.123 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000290494131 372000330 /nfs/dbraw/zinc/00/03/30/372000330.db2.gz WDRNGDMRNCHOOR-INIZCTEOSA-N 2 2 274.408 3.014 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423195171 372019472 /nfs/dbraw/zinc/01/94/72/372019472.db2.gz SJVHYJYVHIEAHS-MAUKXSAKSA-N 2 2 288.435 3.268 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196452 372021428 /nfs/dbraw/zinc/02/14/28/372021428.db2.gz VJMDWCRJPWIOLD-CHWSQXEVSA-N 2 2 264.438 3.201 20 0 CGADLP [NH3+]C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCCC1 ZINC000423201405 372024791 /nfs/dbraw/zinc/02/47/91/372024791.db2.gz OMUVUHDCEFIMTJ-MRXNPFEDSA-N 2 2 298.434 3.140 20 0 CGADLP COc1ccc([C@@H](CCC(C)C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423203166 372027091 /nfs/dbraw/zinc/02/70/91/372027091.db2.gz MHTYDBPCVGSVGY-NVXWUHKLSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)o1 ZINC000423244085 372042084 /nfs/dbraw/zinc/04/20/84/372042084.db2.gz XJDFWUWOSHVKGO-GOEBONIOSA-N 2 2 262.397 3.161 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423275275 372046813 /nfs/dbraw/zinc/04/68/13/372046813.db2.gz LKMSKKFYWISEPB-BXUZGUMPSA-N 2 2 258.365 3.129 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423309708 372049925 /nfs/dbraw/zinc/04/99/25/372049925.db2.gz LVCQDLIBPHDMEL-MLGOLLRUSA-N 2 2 264.388 3.038 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc(C)c1F ZINC000423353451 372053146 /nfs/dbraw/zinc/05/31/46/372053146.db2.gz BSRYKEOYMHWZEP-RIEGTJTDSA-N 2 2 264.388 3.091 20 0 CGADLP CSC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423360558 372056939 /nfs/dbraw/zinc/05/69/39/372056939.db2.gz FSVNDHMCZFBLGY-CABZTGNLSA-N 2 2 292.370 3.046 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1F ZINC000423179309 372009554 /nfs/dbraw/zinc/00/95/54/372009554.db2.gz LWRKIEVYOJNDKG-LBPRGKRZSA-N 2 2 250.361 3.138 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423183778 372010199 /nfs/dbraw/zinc/01/01/99/372010199.db2.gz HPRXWGKBEMVFCG-MOPGFXCFSA-N 2 2 280.415 3.426 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423459135 372065256 /nfs/dbraw/zinc/06/52/56/372065256.db2.gz HRZHJJPHMGPQGP-OCCSQVGLSA-N 2 2 282.815 3.189 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290881027 372068277 /nfs/dbraw/zinc/06/82/77/372068277.db2.gz MBYOLPBNFDUTMJ-UHFFFAOYSA-N 2 2 290.238 3.208 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290881027 372068280 /nfs/dbraw/zinc/06/82/80/372068280.db2.gz MBYOLPBNFDUTMJ-UHFFFAOYSA-N 2 2 290.238 3.208 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672012 541868472 /nfs/dbraw/zinc/86/84/72/541868472.db2.gz FAZMAGZNJQNZRU-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672012 541868475 /nfs/dbraw/zinc/86/84/75/541868475.db2.gz FAZMAGZNJQNZRU-RISCZKNCSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000040671830 541868519 /nfs/dbraw/zinc/86/85/19/541868519.db2.gz UKSBGEQSNYUBRE-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000040671830 541868522 /nfs/dbraw/zinc/86/85/22/541868522.db2.gz UKSBGEQSNYUBRE-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672389 541868676 /nfs/dbraw/zinc/86/86/76/541868676.db2.gz PNAFOJOYPQXNKH-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000040672389 541868678 /nfs/dbraw/zinc/86/86/78/541868678.db2.gz PNAFOJOYPQXNKH-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)ccc1F ZINC000427860534 372176818 /nfs/dbraw/zinc/17/68/18/372176818.db2.gz AQZCJFGXUKVIOO-YJBOKZPZSA-N 2 2 299.393 3.386 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000428489772 372223080 /nfs/dbraw/zinc/22/30/80/372223080.db2.gz XFXAQIQTCHCPBN-UHFFFAOYSA-N 2 2 298.386 3.183 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000428489772 372223085 /nfs/dbraw/zinc/22/30/85/372223085.db2.gz XFXAQIQTCHCPBN-UHFFFAOYSA-N 2 2 298.386 3.183 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC34CCCC4)n2c1 ZINC000428553341 372230288 /nfs/dbraw/zinc/23/02/88/372230288.db2.gz XJGPYHUARZNFBQ-CQSZACIVSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672583 541870860 /nfs/dbraw/zinc/87/08/60/541870860.db2.gz GIWQSMIXPROXAO-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672583 541870863 /nfs/dbraw/zinc/87/08/63/541870863.db2.gz GIWQSMIXPROXAO-KBXCAEBGSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142501 372305520 /nfs/dbraw/zinc/30/55/20/372305520.db2.gz NAVSTRYOQSBVKP-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142501 372305526 /nfs/dbraw/zinc/30/55/26/372305526.db2.gz NAVSTRYOQSBVKP-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCCCS3)c[nH+]c12 ZINC000344331163 217152781 /nfs/dbraw/zinc/15/27/81/217152781.db2.gz ARODLJGDXYDMRG-CQSZACIVSA-N 2 2 275.421 3.018 20 0 CGADLP CSCc1cnc(C[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000293303895 372350266 /nfs/dbraw/zinc/35/02/66/372350266.db2.gz PTDUDLGJNBOARB-UHFFFAOYSA-N 2 2 293.461 3.042 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCC[NH+]1CCCC1 ZINC000293652135 372439216 /nfs/dbraw/zinc/43/92/16/372439216.db2.gz NBNCRVSGVWTBBN-UHFFFAOYSA-N 3 2 289.467 3.178 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+](C)Cc1ccccc1 ZINC000344374117 217174680 /nfs/dbraw/zinc/17/46/80/217174680.db2.gz UKOLSZSKNMTEOI-IAGOWNOFSA-N 2 2 272.436 3.453 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+](C)Cc1ccccc1 ZINC000344374117 217174682 /nfs/dbraw/zinc/17/46/82/217174682.db2.gz UKOLSZSKNMTEOI-IAGOWNOFSA-N 2 2 272.436 3.453 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768665 372491397 /nfs/dbraw/zinc/49/13/97/372491397.db2.gz MAEKFHKWBBQFMG-MWLCHTKSSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768665 372491398 /nfs/dbraw/zinc/49/13/98/372491398.db2.gz MAEKFHKWBBQFMG-MWLCHTKSSA-N 2 2 290.304 3.156 20 0 CGADLP CC[C@@H](CSC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000163857538 372495089 /nfs/dbraw/zinc/49/50/89/372495089.db2.gz URCMSEAJIWWUHR-AWEZNQCLSA-N 2 2 275.421 3.104 20 0 CGADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Cl)o2)ccc1F ZINC000344449803 217193760 /nfs/dbraw/zinc/19/37/60/217193760.db2.gz OFJCFCQRBGSKBX-UHFFFAOYSA-N 2 2 296.773 3.424 20 0 CGADLP Fc1ccc(C[NH2+]CCn2cc[nH+]c2)c(Cl)c1Cl ZINC000432241680 372549513 /nfs/dbraw/zinc/54/95/13/372549513.db2.gz RGMSCUQPBDBCNN-UHFFFAOYSA-N 2 2 288.153 3.119 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(Cl)c1Cl ZINC000432237828 372550658 /nfs/dbraw/zinc/55/06/58/372550658.db2.gz LCBHLHWWGRYAEJ-UHFFFAOYSA-N 2 2 290.219 3.350 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000168757247 372619357 /nfs/dbraw/zinc/61/93/57/372619357.db2.gz LQDIMJLLIBVNPP-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1F ZINC000168757247 372619361 /nfs/dbraw/zinc/61/93/61/372619361.db2.gz LQDIMJLLIBVNPP-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000294290782 372640856 /nfs/dbraw/zinc/64/08/56/372640856.db2.gz UDQGKORMANIYBJ-WMLDXEAASA-N 2 2 287.407 3.023 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435391244 372757624 /nfs/dbraw/zinc/75/76/24/372757624.db2.gz RYEUGGAVJGMHTN-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC000435391244 372757630 /nfs/dbraw/zinc/75/76/30/372757630.db2.gz RYEUGGAVJGMHTN-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP CCCc1nc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435629770 372786268 /nfs/dbraw/zinc/78/62/68/372786268.db2.gz YHTMYTHBNJZPGE-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1nc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435629770 372786278 /nfs/dbraw/zinc/78/62/78/372786278.db2.gz YHTMYTHBNJZPGE-AWEZNQCLSA-N 2 2 281.469 3.060 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435619003 372787101 /nfs/dbraw/zinc/78/71/01/372787101.db2.gz VYKXOTIFGLWFSR-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435619003 372787110 /nfs/dbraw/zinc/78/71/10/372787110.db2.gz VYKXOTIFGLWFSR-INIZCTEOSA-N 2 2 299.418 3.224 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344612747 217248412 /nfs/dbraw/zinc/24/84/12/217248412.db2.gz XFLKHIVFTDFPKB-JYJNAYRXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344612747 217248414 /nfs/dbraw/zinc/24/84/14/217248414.db2.gz XFLKHIVFTDFPKB-JYJNAYRXSA-N 2 2 252.446 3.370 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742203 372801876 /nfs/dbraw/zinc/80/18/76/372801876.db2.gz TWXXJQLPYRTANE-MCPWVCTESA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742203 372801883 /nfs/dbraw/zinc/80/18/83/372801883.db2.gz TWXXJQLPYRTANE-MCPWVCTESA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742205 372801964 /nfs/dbraw/zinc/80/19/64/372801964.db2.gz TWXXJQLPYRTANE-WGGXSYPISA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742205 372801971 /nfs/dbraw/zinc/80/19/71/372801971.db2.gz TWXXJQLPYRTANE-WGGXSYPISA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436248347 372832231 /nfs/dbraw/zinc/83/22/31/372832231.db2.gz BAISEQJBTSSPEK-IAGOWNOFSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000436248347 372832235 /nfs/dbraw/zinc/83/22/35/372832235.db2.gz BAISEQJBTSSPEK-IAGOWNOFSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436240772 372829564 /nfs/dbraw/zinc/82/95/64/372829564.db2.gz QWQZFRJEIRTDQB-DJIMGWMZSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436240772 372829572 /nfs/dbraw/zinc/82/95/72/372829572.db2.gz QWQZFRJEIRTDQB-DJIMGWMZSA-N 2 2 272.436 3.395 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438188101 372908561 /nfs/dbraw/zinc/90/85/61/372908561.db2.gz QQOKTLQLMXPMSZ-OLZOCXBDSA-N 2 2 280.378 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438188101 372908572 /nfs/dbraw/zinc/90/85/72/372908572.db2.gz QQOKTLQLMXPMSZ-OLZOCXBDSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000344688637 217275755 /nfs/dbraw/zinc/27/57/55/217275755.db2.gz VEVSKBIHJYHYHA-GXTWGEPZSA-N 2 2 293.480 3.373 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000344688637 217275757 /nfs/dbraw/zinc/27/57/57/217275757.db2.gz VEVSKBIHJYHYHA-GXTWGEPZSA-N 2 2 293.480 3.373 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+](C)CCCOC)c1cccc(C)c1 ZINC000353528738 220139770 /nfs/dbraw/zinc/13/97/70/220139770.db2.gz HORHBQNSGOZNKV-QGZVFWFLSA-N 2 2 278.440 3.004 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCCOC)c1cccc(C)c1 ZINC000353528738 220139772 /nfs/dbraw/zinc/13/97/72/220139772.db2.gz HORHBQNSGOZNKV-QGZVFWFLSA-N 2 2 278.440 3.004 20 0 CGADLP COCC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296193888 373049665 /nfs/dbraw/zinc/04/96/65/373049665.db2.gz YRDBMIZPPAHQFL-GFCCVEGCSA-N 2 2 293.798 3.040 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+](C)C ZINC000442724459 373069312 /nfs/dbraw/zinc/06/93/12/373069312.db2.gz ZNOYIJMIFVUWAQ-LSDHHAIUSA-N 2 2 299.462 3.201 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442850585 373103024 /nfs/dbraw/zinc/10/30/24/373103024.db2.gz IXUGVMPMQCZAOD-UHFFFAOYSA-N 2 2 272.383 3.052 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442850585 373103030 /nfs/dbraw/zinc/10/30/30/373103030.db2.gz IXUGVMPMQCZAOD-UHFFFAOYSA-N 2 2 272.383 3.052 20 0 CGADLP c1cn2c([nH+]1)[C@H](Nc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000296666197 373213746 /nfs/dbraw/zinc/21/37/46/373213746.db2.gz FNKGUDGCZJYZDX-QGZVFWFLSA-N 2 2 296.418 3.426 20 0 CGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)c1ccccc1 ZINC000353579851 220169898 /nfs/dbraw/zinc/16/98/98/220169898.db2.gz XNDACKISSGTOON-UHFFFAOYSA-N 2 2 257.381 3.436 20 0 CGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)c1ccccc1 ZINC000353579851 220169899 /nfs/dbraw/zinc/16/98/99/220169899.db2.gz XNDACKISSGTOON-UHFFFAOYSA-N 2 2 257.381 3.436 20 0 CGADLP CCSCc1cc[nH+]c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000297371296 373269101 /nfs/dbraw/zinc/26/91/01/373269101.db2.gz GMZPMUKZBDBMNE-UHFFFAOYSA-N 2 2 291.464 3.373 20 0 CGADLP C[N@@H+](Cc1ccccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397440 373306987 /nfs/dbraw/zinc/30/69/87/373306987.db2.gz FBTHZRQPWRKANY-GOSISDBHSA-N 2 2 295.430 3.036 20 0 CGADLP C[N@H+](Cc1ccccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397440 373306995 /nfs/dbraw/zinc/30/69/95/373306995.db2.gz FBTHZRQPWRKANY-GOSISDBHSA-N 2 2 295.430 3.036 20 0 CGADLP C[NH+](Cc1ccccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174397440 373306999 /nfs/dbraw/zinc/30/69/99/373306999.db2.gz FBTHZRQPWRKANY-GOSISDBHSA-N 2 2 295.430 3.036 20 0 CGADLP C[NH+](Cc1ccccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397440 373307007 /nfs/dbraw/zinc/30/70/07/373307007.db2.gz FBTHZRQPWRKANY-GOSISDBHSA-N 2 2 295.430 3.036 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000174516579 373331383 /nfs/dbraw/zinc/33/13/83/373331383.db2.gz FWVBHSNFFQKZLL-PBHICJAKSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@H+]1C ZINC000174516579 373331392 /nfs/dbraw/zinc/33/13/92/373331392.db2.gz FWVBHSNFFQKZLL-PBHICJAKSA-N 2 2 288.435 3.048 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298551138 373352660 /nfs/dbraw/zinc/35/26/60/373352660.db2.gz USANDQUSIMBYLX-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000446821955 373366686 /nfs/dbraw/zinc/36/66/86/373366686.db2.gz BGIWXTIOJPNVJN-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032255 373541154 /nfs/dbraw/zinc/54/11/54/373541154.db2.gz WFCMDBDQFXQPFR-RYUDHWBXSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032255 373541156 /nfs/dbraw/zinc/54/11/56/373541156.db2.gz WFCMDBDQFXQPFR-RYUDHWBXSA-N 2 2 280.378 3.427 20 0 CGADLP CCO[C@@H]1C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647939 220220428 /nfs/dbraw/zinc/22/04/28/220220428.db2.gz IBYLLWKHYFFNSK-DLBZAZTESA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647939 220220431 /nfs/dbraw/zinc/22/04/31/220220431.db2.gz IBYLLWKHYFFNSK-DLBZAZTESA-N 2 2 290.451 3.458 20 0 CGADLP FC(F)(F)c1cc[nH+]c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000176822504 373632351 /nfs/dbraw/zinc/63/23/51/373632351.db2.gz MRNJIMGUVDCEDH-UHFFFAOYSA-N 2 2 299.340 3.387 20 0 CGADLP CC[C@@H](c1ccc(Br)cc1)[N@H+](CC)CC[NH3+] ZINC000300831301 373640852 /nfs/dbraw/zinc/64/08/52/373640852.db2.gz OSBUXJBAXBUTPO-ZDUSSCGKSA-N 2 2 285.229 3.181 20 0 CGADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CC[NH3+] ZINC000300831301 373640855 /nfs/dbraw/zinc/64/08/55/373640855.db2.gz OSBUXJBAXBUTPO-ZDUSSCGKSA-N 2 2 285.229 3.181 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OC)c1 ZINC000353650903 220223765 /nfs/dbraw/zinc/22/37/65/220223765.db2.gz SFHHRTLGJMCIIY-DZGCQCFKSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(OC)c1 ZINC000353650903 220223768 /nfs/dbraw/zinc/22/37/68/220223768.db2.gz SFHHRTLGJMCIIY-DZGCQCFKSA-N 2 2 285.391 3.017 20 0 CGADLP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301074790 373650381 /nfs/dbraw/zinc/65/03/81/373650381.db2.gz GUFHDCMZEUOMOH-CQSZACIVSA-N 2 2 278.444 3.297 20 0 CGADLP C[C@@H]1CCC[C@](CNc2cc[nH+]c(C3CC3)n2)([NH+](C)C)C1 ZINC000301224701 373698333 /nfs/dbraw/zinc/69/83/33/373698333.db2.gz CWKSPLDXNXOTET-DYVFJYSZSA-N 2 2 288.439 3.276 20 0 CGADLP Cc1csc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000449482545 373772796 /nfs/dbraw/zinc/77/27/96/373772796.db2.gz YTRBJLNYAXYNSP-UHFFFAOYSA-N 2 2 271.389 3.302 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449472249 373757588 /nfs/dbraw/zinc/75/75/88/373757588.db2.gz FLERBGVSIJFMHI-BPQIPLTHSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449472249 373757597 /nfs/dbraw/zinc/75/75/97/373757597.db2.gz FLERBGVSIJFMHI-BPQIPLTHSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302046652 373817472 /nfs/dbraw/zinc/81/74/72/373817472.db2.gz YIHQOTFCPAZEMQ-CQSZACIVSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302046652 373817476 /nfs/dbraw/zinc/81/74/76/373817476.db2.gz YIHQOTFCPAZEMQ-CQSZACIVSA-N 2 2 294.402 3.495 20 0 CGADLP CC[C@@](C)([NH2+]Cc1cccc2[nH+]ccn21)c1nccs1 ZINC000179427469 373872495 /nfs/dbraw/zinc/87/24/95/373872495.db2.gz UCECSXDLMHOYMZ-OAHLLOKOSA-N 2 2 286.404 3.206 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](Nc3ccccc3)C2)[nH+]1 ZINC000179949966 373944306 /nfs/dbraw/zinc/94/43/06/373944306.db2.gz ZSDUUCZSFRRFJO-INIZCTEOSA-N 2 2 292.386 3.021 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](Nc3ccccc3)C2)[nH+]1 ZINC000179949966 373944316 /nfs/dbraw/zinc/94/43/16/373944316.db2.gz ZSDUUCZSFRRFJO-INIZCTEOSA-N 2 2 292.386 3.021 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737343 374040581 /nfs/dbraw/zinc/04/05/81/374040581.db2.gz DUTSVPRKNANJIO-GDZNZVCISA-N 2 2 276.399 3.492 20 0 CGADLP COC1CCC([N@H+](C)C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450404613 374106466 /nfs/dbraw/zinc/10/64/66/374106466.db2.gz CMJAMGBNCXBPNN-CGZBRXJRSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([N@@H+](C)C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450404613 374106468 /nfs/dbraw/zinc/10/64/68/374106468.db2.gz CMJAMGBNCXBPNN-CGZBRXJRSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([NH+](C)C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450404613 374106471 /nfs/dbraw/zinc/10/64/71/374106471.db2.gz CMJAMGBNCXBPNN-CGZBRXJRSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([NH+](C)C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450404613 374106476 /nfs/dbraw/zinc/10/64/76/374106476.db2.gz CMJAMGBNCXBPNN-CGZBRXJRSA-N 2 2 282.472 3.139 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000309863712 374201965 /nfs/dbraw/zinc/20/19/65/374201965.db2.gz DXBDCLHYFMYCOI-ZQIUZPCESA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C1CC1 ZINC000309863712 374201969 /nfs/dbraw/zinc/20/19/69/374201969.db2.gz DXBDCLHYFMYCOI-ZQIUZPCESA-N 2 2 258.409 3.038 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000314410118 374317964 /nfs/dbraw/zinc/31/79/64/374317964.db2.gz XSFMNOZLXUGCBX-RTBURBONSA-N 2 2 280.415 3.046 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000314410118 374317971 /nfs/dbraw/zinc/31/79/71/374317971.db2.gz XSFMNOZLXUGCBX-RTBURBONSA-N 2 2 280.415 3.046 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000453210194 374369447 /nfs/dbraw/zinc/36/94/47/374369447.db2.gz MELAEGOIRAMLSU-DLBZAZTESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000453210194 374369452 /nfs/dbraw/zinc/36/94/52/374369452.db2.gz MELAEGOIRAMLSU-DLBZAZTESA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]([NH2+]CCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320324593 374350741 /nfs/dbraw/zinc/35/07/41/374350741.db2.gz LKFJLMPFTOFOGT-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285306 374391887 /nfs/dbraw/zinc/39/18/87/374391887.db2.gz MHKDPIOLWUHHIW-ZDEQEGDKSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285306 374391895 /nfs/dbraw/zinc/39/18/95/374391895.db2.gz MHKDPIOLWUHHIW-ZDEQEGDKSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nccs1 ZINC000183198370 374384237 /nfs/dbraw/zinc/38/42/37/374384237.db2.gz GQUYPHNQXLAAMH-MGPQQGTHSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nccs1 ZINC000183198370 374384244 /nfs/dbraw/zinc/38/42/44/374384244.db2.gz GQUYPHNQXLAAMH-MGPQQGTHSA-N 2 2 293.480 3.447 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000334166480 206129832 /nfs/dbraw/zinc/12/98/32/206129832.db2.gz AKSUXVPHUHGQQH-UHFFFAOYSA-N 2 2 299.418 3.035 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Cl ZINC000334184952 206160068 /nfs/dbraw/zinc/16/00/68/206160068.db2.gz DLDXYBZDYDDFAV-GHMZBOCLSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000334184952 206160070 /nfs/dbraw/zinc/16/00/70/206160070.db2.gz DLDXYBZDYDDFAV-GHMZBOCLSA-N 2 2 275.783 3.271 20 0 CGADLP c1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C2CCC2)cc1 ZINC000089912187 541955731 /nfs/dbraw/zinc/95/57/31/541955731.db2.gz QXFHMWHAULMOJQ-KRWDZBQOSA-N 2 2 258.409 3.213 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(F)cn3)[nH+]c12 ZINC000092766186 541977610 /nfs/dbraw/zinc/97/76/10/541977610.db2.gz ONUCLVQGJXTOCZ-CYBMUJFWSA-N 2 2 298.365 3.070 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185680957 374713083 /nfs/dbraw/zinc/71/30/83/374713083.db2.gz NNWLRWMCIXZRNH-KDOFPFPSSA-N 2 2 284.403 3.173 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCSC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186319690 374831794 /nfs/dbraw/zinc/83/17/94/374831794.db2.gz XRGGNFNCRGNDBD-FVQBIDKESA-N 2 2 278.465 3.163 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186258296 374823303 /nfs/dbraw/zinc/82/33/03/374823303.db2.gz POPRHJGLUSYTNN-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCCOCC3)cc2)c1C ZINC000334669464 374958098 /nfs/dbraw/zinc/95/80/98/374958098.db2.gz KZXHTNFLSCGAGQ-OAHLLOKOSA-N 2 2 285.391 3.470 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000094896225 541990027 /nfs/dbraw/zinc/99/00/27/541990027.db2.gz CKUCMFHTQNNDJZ-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000094896225 541990032 /nfs/dbraw/zinc/99/00/32/541990032.db2.gz CKUCMFHTQNNDJZ-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000187676933 375069177 /nfs/dbraw/zinc/06/91/77/375069177.db2.gz KMUBTRHGTQFHNN-ZWKOTPCHSA-N 2 2 283.419 3.373 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188020279 375142332 /nfs/dbraw/zinc/14/23/32/375142332.db2.gz CQFPAMWUQRIGEF-KYJSFNMBSA-N 2 2 299.418 3.074 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000189753771 375443865 /nfs/dbraw/zinc/44/38/65/375443865.db2.gz BNEOFSDRSYSBOE-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCO1 ZINC000189753771 375443871 /nfs/dbraw/zinc/44/38/71/375443871.db2.gz BNEOFSDRSYSBOE-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC2(CCCCC2)O1 ZINC000191005391 375562812 /nfs/dbraw/zinc/56/28/12/375562812.db2.gz NORSJCHSOZHAEK-MRXNPFEDSA-N 2 2 291.439 3.087 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC2(CCCCC2)O1 ZINC000191005391 375562817 /nfs/dbraw/zinc/56/28/17/375562817.db2.gz NORSJCHSOZHAEK-MRXNPFEDSA-N 2 2 291.439 3.087 20 0 CGADLP c1cc(C[N@@H+]2CC[NH+]3CCC2CC3)cc(-c2ccncc2)c1 ZINC000335997346 375602868 /nfs/dbraw/zinc/60/28/68/375602868.db2.gz HQKNYIAUAUVDRZ-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP c1cc(C[N@H+]2CC[NH+]3CCC2CC3)cc(-c2ccncc2)c1 ZINC000335997346 375602872 /nfs/dbraw/zinc/60/28/72/375602872.db2.gz HQKNYIAUAUVDRZ-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1C ZINC000192050079 375694125 /nfs/dbraw/zinc/69/41/25/375694125.db2.gz POPOILQOKPSVKR-CQSZACIVSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1C ZINC000192050079 375694130 /nfs/dbraw/zinc/69/41/30/375694130.db2.gz POPOILQOKPSVKR-CQSZACIVSA-N 2 2 255.365 3.165 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000515578812 375815215 /nfs/dbraw/zinc/81/52/15/375815215.db2.gz VHDMSQBPGXDOMA-ZNMIVQPWSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2(C)CC2)C1 ZINC000515578812 375815217 /nfs/dbraw/zinc/81/52/17/375815217.db2.gz VHDMSQBPGXDOMA-ZNMIVQPWSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000515578812 375815223 /nfs/dbraw/zinc/81/52/23/375815223.db2.gz VHDMSQBPGXDOMA-ZNMIVQPWSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000515578812 375815229 /nfs/dbraw/zinc/81/52/29/375815229.db2.gz VHDMSQBPGXDOMA-ZNMIVQPWSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000336396304 375788795 /nfs/dbraw/zinc/78/87/95/375788795.db2.gz QCPQRGOAZJFMFY-ZWNOBZJWSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1 ZINC000336396304 375788799 /nfs/dbraw/zinc/78/87/99/375788799.db2.gz QCPQRGOAZJFMFY-ZWNOBZJWSA-N 2 2 275.783 3.271 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000193111146 375827456 /nfs/dbraw/zinc/82/74/56/375827456.db2.gz OCEQZWNVYWKRHW-ZDUSSCGKSA-N 2 2 299.374 3.379 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193457568 375879328 /nfs/dbraw/zinc/87/93/28/375879328.db2.gz ZFYLTXWPNFMMGA-ZDUSSCGKSA-N 2 2 278.362 3.137 20 0 CGADLP FC(F)(F)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000193457568 375879334 /nfs/dbraw/zinc/87/93/34/375879334.db2.gz ZFYLTXWPNFMMGA-ZDUSSCGKSA-N 2 2 278.362 3.137 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000193466767 375881267 /nfs/dbraw/zinc/88/12/67/375881267.db2.gz MJFFAVFTUVIVIM-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000193466767 375881274 /nfs/dbraw/zinc/88/12/74/375881274.db2.gz MJFFAVFTUVIVIM-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193639037 375900092 /nfs/dbraw/zinc/90/00/92/375900092.db2.gz JNZDXPNLEJJGPE-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193639037 375900098 /nfs/dbraw/zinc/90/00/98/375900098.db2.gz JNZDXPNLEJJGPE-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193639037 375900105 /nfs/dbraw/zinc/90/01/05/375900105.db2.gz JNZDXPNLEJJGPE-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](CCc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193639037 375900112 /nfs/dbraw/zinc/90/01/12/375900112.db2.gz JNZDXPNLEJJGPE-BETUJISGSA-N 2 2 299.245 3.029 20 0 CGADLP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)c(Cl)c1 ZINC000535047436 376014887 /nfs/dbraw/zinc/01/48/87/376014887.db2.gz HCDNEKFNCOLAKH-UHFFFAOYSA-N 2 2 273.207 3.179 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313987 376034931 /nfs/dbraw/zinc/03/49/31/376034931.db2.gz OAWCBNKYVZHBMA-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535313987 376034935 /nfs/dbraw/zinc/03/49/35/376034935.db2.gz OAWCBNKYVZHBMA-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000211727125 376134475 /nfs/dbraw/zinc/13/44/75/376134475.db2.gz RQNYHPLBYSCPPF-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000537647622 376188846 /nfs/dbraw/zinc/18/88/46/376188846.db2.gz QOLMLRRLWDWSQQ-YCCFLXJFSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000537647622 376188849 /nfs/dbraw/zinc/18/88/49/376188849.db2.gz QOLMLRRLWDWSQQ-YCCFLXJFSA-N 2 2 264.457 3.416 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337385518 376217759 /nfs/dbraw/zinc/21/77/59/376217759.db2.gz LAZVLWLAQRCLLR-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000538117091 376220653 /nfs/dbraw/zinc/22/06/53/376220653.db2.gz PXDGOBXXWFYSKQ-QAPCUYQASA-N 2 2 272.436 3.378 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C2CC2)cc1 ZINC000538117091 376220658 /nfs/dbraw/zinc/22/06/58/376220658.db2.gz PXDGOBXXWFYSKQ-QAPCUYQASA-N 2 2 272.436 3.378 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449148 376222548 /nfs/dbraw/zinc/22/25/48/376222548.db2.gz RYWGTYXSEALCBV-UONOGXRCSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449148 376222554 /nfs/dbraw/zinc/22/25/54/376222554.db2.gz RYWGTYXSEALCBV-UONOGXRCSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337446248 376223109 /nfs/dbraw/zinc/22/31/09/376223109.db2.gz GRSNERWALIWVPG-YPMHNXCESA-N 2 2 278.362 3.181 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(F)c1 ZINC000221910329 376224016 /nfs/dbraw/zinc/22/40/16/376224016.db2.gz UJQUNTTWRTWIJG-CYBMUJFWSA-N 2 2 282.403 3.215 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(F)c1 ZINC000221910329 376224021 /nfs/dbraw/zinc/22/40/21/376224021.db2.gz UJQUNTTWRTWIJG-CYBMUJFWSA-N 2 2 282.403 3.215 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccsc2S1 ZINC000222695613 376240460 /nfs/dbraw/zinc/24/04/60/376240460.db2.gz TZPZHZMDUNXHPA-LOWVWBTDSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccsc2S1 ZINC000222695613 376240464 /nfs/dbraw/zinc/24/04/64/376240464.db2.gz TZPZHZMDUNXHPA-LOWVWBTDSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000222847488 376243162 /nfs/dbraw/zinc/24/31/62/376243162.db2.gz IPNIDLSZUWMHGD-WDEREUQCSA-N 2 2 284.856 3.159 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000222847488 376243172 /nfs/dbraw/zinc/24/31/72/376243172.db2.gz IPNIDLSZUWMHGD-WDEREUQCSA-N 2 2 284.856 3.159 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000538567377 376249997 /nfs/dbraw/zinc/24/99/97/376249997.db2.gz XVKUSYQDHMGFEN-DOTOQJQBSA-N 2 2 290.451 3.151 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000538567377 376250001 /nfs/dbraw/zinc/25/00/01/376250001.db2.gz XVKUSYQDHMGFEN-DOTOQJQBSA-N 2 2 290.451 3.151 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000538567380 376250221 /nfs/dbraw/zinc/25/02/21/376250221.db2.gz XVKUSYQDHMGFEN-WBVHZDCISA-N 2 2 290.451 3.151 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000538567380 376250226 /nfs/dbraw/zinc/25/02/26/376250226.db2.gz XVKUSYQDHMGFEN-WBVHZDCISA-N 2 2 290.451 3.151 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223929484 376268161 /nfs/dbraw/zinc/26/81/61/376268161.db2.gz YBYAZBCXKNWGRI-XHSDSOJGSA-N 2 2 288.460 3.440 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223929484 376268169 /nfs/dbraw/zinc/26/81/69/376268169.db2.gz YBYAZBCXKNWGRI-XHSDSOJGSA-N 2 2 288.460 3.440 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223929535 376268383 /nfs/dbraw/zinc/26/83/83/376268383.db2.gz YBYAZBCXKNWGRI-JYJNAYRXSA-N 2 2 288.460 3.440 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223929535 376268391 /nfs/dbraw/zinc/26/83/91/376268391.db2.gz YBYAZBCXKNWGRI-JYJNAYRXSA-N 2 2 288.460 3.440 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000539409376 376309796 /nfs/dbraw/zinc/30/97/96/376309796.db2.gz TVZDGVUHWDULNM-HZPDHXFCSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000539409376 376309799 /nfs/dbraw/zinc/30/97/99/376309799.db2.gz TVZDGVUHWDULNM-HZPDHXFCSA-N 2 2 252.446 3.373 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000538969862 376283407 /nfs/dbraw/zinc/28/34/07/376283407.db2.gz AMUUXWLBDIGKMA-WBVHZDCISA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000539217959 376299129 /nfs/dbraw/zinc/29/91/29/376299129.db2.gz ONQGTBSSSKAYJC-YOEHRIQHSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000539217959 376299134 /nfs/dbraw/zinc/29/91/34/376299134.db2.gz ONQGTBSSSKAYJC-YOEHRIQHSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000225302028 376301339 /nfs/dbraw/zinc/30/13/39/376301339.db2.gz LPSZXNCYPZMYBV-LLVKDONJSA-N 2 2 287.860 3.151 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000225302028 376301346 /nfs/dbraw/zinc/30/13/46/376301346.db2.gz LPSZXNCYPZMYBV-LLVKDONJSA-N 2 2 287.860 3.151 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157142 376361386 /nfs/dbraw/zinc/36/13/86/376361386.db2.gz BCICKJNMJCKHSL-WEOZKBJRSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000540157142 376361389 /nfs/dbraw/zinc/36/13/89/376361389.db2.gz BCICKJNMJCKHSL-WEOZKBJRSA-N 2 2 286.463 3.427 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226950210 376377216 /nfs/dbraw/zinc/37/72/16/376377216.db2.gz KACOBVDHMPSIMY-KKUMJFAQSA-N 2 2 276.449 3.342 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226950210 376377221 /nfs/dbraw/zinc/37/72/21/376377221.db2.gz KACOBVDHMPSIMY-KKUMJFAQSA-N 2 2 276.449 3.342 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228410455 376436077 /nfs/dbraw/zinc/43/60/77/376436077.db2.gz WXVMCFZKCNWJEB-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000228763086 376447200 /nfs/dbraw/zinc/44/72/00/376447200.db2.gz ZJVUDOYDFHMCPT-CQSZACIVSA-N 2 2 284.831 3.154 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000228763086 376447204 /nfs/dbraw/zinc/44/72/04/376447204.db2.gz ZJVUDOYDFHMCPT-CQSZACIVSA-N 2 2 284.831 3.154 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338689096 376482020 /nfs/dbraw/zinc/48/20/20/376482020.db2.gz QRBQAXNZOSZPMB-AWEZNQCLSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338689096 376482023 /nfs/dbraw/zinc/48/20/23/376482023.db2.gz QRBQAXNZOSZPMB-AWEZNQCLSA-N 2 2 264.457 3.277 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C2 ZINC000542914279 376589588 /nfs/dbraw/zinc/58/95/88/376589588.db2.gz DPXAUZJVLFGCHF-XLIONFOSSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C2 ZINC000542914279 376589600 /nfs/dbraw/zinc/58/96/00/376589600.db2.gz DPXAUZJVLFGCHF-XLIONFOSSA-N 2 2 298.474 3.352 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1C(C)C ZINC000339066748 376658645 /nfs/dbraw/zinc/65/86/45/376658645.db2.gz FBOLZQUDDWEWGG-UONOGXRCSA-N 2 2 293.480 3.291 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1C(C)C ZINC000339066748 376658651 /nfs/dbraw/zinc/65/86/51/376658651.db2.gz FBOLZQUDDWEWGG-UONOGXRCSA-N 2 2 293.480 3.291 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000544381501 376726829 /nfs/dbraw/zinc/72/68/29/376726829.db2.gz WTPUVDJFBBJDHN-DGADGQDISA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000544381501 376726840 /nfs/dbraw/zinc/72/68/40/376726840.db2.gz WTPUVDJFBBJDHN-DGADGQDISA-N 2 2 252.446 3.129 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]CCC(C)(C)C)Cc1ccccc1 ZINC000237155835 376731584 /nfs/dbraw/zinc/73/15/84/376731584.db2.gz DBQAPMPLACPTAS-MRXNPFEDSA-N 2 2 262.441 3.185 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C(C)C)c1cccc(OC)c1 ZINC000236839396 376702272 /nfs/dbraw/zinc/70/22/72/376702272.db2.gz KQBZPGUZHBDCHM-INIZCTEOSA-N 2 2 264.413 3.076 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000156109209 542126487 /nfs/dbraw/zinc/12/64/87/542126487.db2.gz DREQHIMTQFFYBK-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000154733365 542120060 /nfs/dbraw/zinc/12/00/60/542120060.db2.gz SMILMACFQFFLMP-MRXNPFEDSA-N 2 2 280.362 3.026 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000157414818 542134695 /nfs/dbraw/zinc/13/46/95/542134695.db2.gz QLCYMYKRLSRPOD-CYBMUJFWSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000157414818 542134698 /nfs/dbraw/zinc/13/46/98/542134698.db2.gz QLCYMYKRLSRPOD-CYBMUJFWSA-N 2 2 289.810 3.072 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157755184 542138530 /nfs/dbraw/zinc/13/85/30/542138530.db2.gz WBHYFEFNOBFLCK-ZFWWWQNUSA-N 2 2 276.449 3.199 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157755184 542138535 /nfs/dbraw/zinc/13/85/35/542138535.db2.gz WBHYFEFNOBFLCK-ZFWWWQNUSA-N 2 2 276.449 3.199 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000157814142 542139993 /nfs/dbraw/zinc/13/99/93/542139993.db2.gz PMYPNPSHYIXSGR-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000157814142 542139999 /nfs/dbraw/zinc/13/99/99/542139999.db2.gz PMYPNPSHYIXSGR-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000556857233 376890058 /nfs/dbraw/zinc/89/00/58/376890058.db2.gz QDQIGVJUFSVFST-OKZBNKHCSA-N 2 2 274.452 3.184 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000245769526 376905390 /nfs/dbraw/zinc/90/53/90/376905390.db2.gz RLZILHFKNLCFCQ-DZKIICNBSA-N 2 2 276.424 3.177 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000245769526 376905393 /nfs/dbraw/zinc/90/53/93/376905393.db2.gz RLZILHFKNLCFCQ-DZKIICNBSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000245769526 376905397 /nfs/dbraw/zinc/90/53/97/376905397.db2.gz RLZILHFKNLCFCQ-DZKIICNBSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000245769526 376905399 /nfs/dbraw/zinc/90/53/99/376905399.db2.gz RLZILHFKNLCFCQ-DZKIICNBSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340233996 376955555 /nfs/dbraw/zinc/95/55/55/376955555.db2.gz GPVUHCJFOSDEQW-DYVFJYSZSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340233996 376955558 /nfs/dbraw/zinc/95/55/58/376955558.db2.gz GPVUHCJFOSDEQW-DYVFJYSZSA-N 2 2 270.420 3.451 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000340245067 376961164 /nfs/dbraw/zinc/96/11/64/376961164.db2.gz NKCXCXSCSMPWEC-ZWKOTPCHSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000340245067 376961176 /nfs/dbraw/zinc/96/11/76/376961176.db2.gz NKCXCXSCSMPWEC-ZWKOTPCHSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000340245067 376961184 /nfs/dbraw/zinc/96/11/84/376961184.db2.gz NKCXCXSCSMPWEC-ZWKOTPCHSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@@]1(CO)CCC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340245067 376961190 /nfs/dbraw/zinc/96/11/90/376961190.db2.gz NKCXCXSCSMPWEC-ZWKOTPCHSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000558219311 376985352 /nfs/dbraw/zinc/98/53/52/376985352.db2.gz ABMDQKDZTKBZRJ-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000558311716 376996669 /nfs/dbraw/zinc/99/66/69/376996669.db2.gz UPSPQQWDBXGDCJ-SHTZXODSSA-N 2 2 297.406 3.324 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000558422038 377007993 /nfs/dbraw/zinc/00/79/93/377007993.db2.gz HLLUKNJUZLXUMJ-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000558422038 377008002 /nfs/dbraw/zinc/00/80/02/377008002.db2.gz HLLUKNJUZLXUMJ-UHFFFAOYSA-N 2 2 250.430 3.127 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246564959 377054006 /nfs/dbraw/zinc/05/40/06/377054006.db2.gz XMCFRMVIEGXAAP-OLZOCXBDSA-N 2 2 293.480 3.014 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246564959 377054011 /nfs/dbraw/zinc/05/40/11/377054011.db2.gz XMCFRMVIEGXAAP-OLZOCXBDSA-N 2 2 293.480 3.014 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+]1CCOCC1 ZINC000559766454 377096020 /nfs/dbraw/zinc/09/60/20/377096020.db2.gz HVYMTMQDMKTJGV-IAGOWNOFSA-N 2 2 294.483 3.047 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000559786007 377098899 /nfs/dbraw/zinc/09/88/99/377098899.db2.gz FMOYVDHCSDNPIH-MAUKXSAKSA-N 2 2 299.393 3.146 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)C[C@@H]1c1ccccc1 ZINC000559786007 377098907 /nfs/dbraw/zinc/09/89/07/377098907.db2.gz FMOYVDHCSDNPIH-MAUKXSAKSA-N 2 2 299.393 3.146 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000560233941 377130299 /nfs/dbraw/zinc/13/02/99/377130299.db2.gz QMVWZJAAJGOZAA-CWRNSKLLSA-N 2 2 260.425 3.456 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000247189083 377175261 /nfs/dbraw/zinc/17/52/61/377175261.db2.gz VQHSFAIFWGVYGZ-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000247189083 377175271 /nfs/dbraw/zinc/17/52/71/377175271.db2.gz VQHSFAIFWGVYGZ-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCCC[C@@H]21 ZINC000248374312 377298606 /nfs/dbraw/zinc/29/86/06/377298606.db2.gz PKOJICUMXRKBCR-FVQBIDKESA-N 2 2 269.392 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCCC[C@@H]21 ZINC000248374312 377298613 /nfs/dbraw/zinc/29/86/13/377298613.db2.gz PKOJICUMXRKBCR-FVQBIDKESA-N 2 2 269.392 3.345 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000248971556 377436237 /nfs/dbraw/zinc/43/62/37/377436237.db2.gz CSPJQFVUKZGHAQ-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000248971556 377436245 /nfs/dbraw/zinc/43/62/45/377436245.db2.gz CSPJQFVUKZGHAQ-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000162417112 542163339 /nfs/dbraw/zinc/16/33/39/542163339.db2.gz ICWZOAVMMPKPIX-UHFFFAOYSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149923 377408202 /nfs/dbraw/zinc/40/82/02/377408202.db2.gz NTAYCMHDSLUMGT-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149923 377408208 /nfs/dbraw/zinc/40/82/08/377408208.db2.gz NTAYCMHDSLUMGT-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000249065891 377454510 /nfs/dbraw/zinc/45/45/10/377454510.db2.gz KFOKMKDPRHJTIP-CKEIUWERSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563426519 377464115 /nfs/dbraw/zinc/46/41/15/377464115.db2.gz MLSITBCRNUUOTB-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563426519 377464121 /nfs/dbraw/zinc/46/41/21/377464121.db2.gz MLSITBCRNUUOTB-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000563440904 377466566 /nfs/dbraw/zinc/46/65/66/377466566.db2.gz OECMYBWBQSZXST-IAGOWNOFSA-N 2 2 269.392 3.154 20 0 CGADLP Cc1c[nH+]c(CNc2cc(C[NH+]3CCCC3)ccc2C)n1C ZINC000341254854 377468539 /nfs/dbraw/zinc/46/85/39/377468539.db2.gz DAGHEPRFIQEQQY-UHFFFAOYSA-N 2 2 298.434 3.245 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000341260935 377474160 /nfs/dbraw/zinc/47/41/60/377474160.db2.gz GZUFFEQALNTBBE-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000341260935 377474169 /nfs/dbraw/zinc/47/41/69/377474169.db2.gz GZUFFEQALNTBBE-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000249615671 377518309 /nfs/dbraw/zinc/51/83/09/377518309.db2.gz PBEWCDWHWJAKIF-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000249615671 377518314 /nfs/dbraw/zinc/51/83/14/377518314.db2.gz PBEWCDWHWJAKIF-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000163639384 542167832 /nfs/dbraw/zinc/16/78/32/542167832.db2.gz ZOOQFIVXVZOLTR-GOSISDBHSA-N 2 2 290.451 3.147 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000163645401 542168259 /nfs/dbraw/zinc/16/82/59/542168259.db2.gz VRXLSCITPOVWSM-MRXNPFEDSA-N 2 2 290.451 3.065 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163830589 542169168 /nfs/dbraw/zinc/16/91/68/542169168.db2.gz NNOLZVDUIVXNSK-MRXNPFEDSA-N 2 2 285.366 3.300 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1 ZINC000313252287 249089790 /nfs/dbraw/zinc/08/97/90/249089790.db2.gz NVCWHGPVUJBLHB-HNNXBMFYSA-N 2 2 277.799 3.357 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000313247735 249089814 /nfs/dbraw/zinc/08/98/14/249089814.db2.gz DIODCEBZNSVCSL-MRXNPFEDSA-N 2 2 289.810 3.357 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312610833 249081288 /nfs/dbraw/zinc/08/12/88/249081288.db2.gz WRLZEMYTLLEARZ-UHFFFAOYSA-N 2 2 290.219 3.350 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312598567 249081965 /nfs/dbraw/zinc/08/19/65/249081965.db2.gz JHMROSBHKCLVRY-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312598567 249081968 /nfs/dbraw/zinc/08/19/68/249081968.db2.gz JHMROSBHKCLVRY-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[NH+](C)C ZINC000312706638 249082748 /nfs/dbraw/zinc/08/27/48/249082748.db2.gz SGLQTNXZYAVQAN-LAQRGFTBSA-N 2 2 274.452 3.499 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422905609 249127504 /nfs/dbraw/zinc/12/75/04/249127504.db2.gz ZJGORPLUTCSMKK-IRXDYDNUSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000168672035 542178131 /nfs/dbraw/zinc/17/81/31/542178131.db2.gz WYFSFVDNTSYNIA-UAGQMJEPSA-N 2 2 260.425 3.253 20 0 CGADLP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1c1ccccc1 ZINC000469987881 249164815 /nfs/dbraw/zinc/16/48/15/249164815.db2.gz XOUWPGFYOAQDTF-ZBFHGGJFSA-N 2 2 260.425 3.239 20 0 CGADLP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1c1ccccc1 ZINC000469987881 249164818 /nfs/dbraw/zinc/16/48/18/249164818.db2.gz XOUWPGFYOAQDTF-ZBFHGGJFSA-N 2 2 260.425 3.239 20 0 CGADLP Cc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000250912391 377569405 /nfs/dbraw/zinc/56/94/05/377569405.db2.gz BXDLNXPAMILWNR-BZUAXINKSA-N 2 2 259.397 3.113 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000563419668 321996716 /nfs/dbraw/zinc/99/67/16/321996716.db2.gz ZOFSQOQTMZBNRQ-UHFFFAOYSA-N 2 2 290.304 3.027 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573815132 377582112 /nfs/dbraw/zinc/58/21/12/377582112.db2.gz MBTNUVOHABROQX-WMLDXEAASA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000516914585 249249393 /nfs/dbraw/zinc/24/93/93/249249393.db2.gz PWUWWWKOMMXMSL-MNOVXSKESA-N 2 2 278.783 3.425 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252959738 377671775 /nfs/dbraw/zinc/67/17/75/377671775.db2.gz MKVUAFQIUOVOTH-OCCSQVGLSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252959738 377671781 /nfs/dbraw/zinc/67/17/81/377671781.db2.gz MKVUAFQIUOVOTH-OCCSQVGLSA-N 2 2 293.480 3.157 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000574961092 377729476 /nfs/dbraw/zinc/72/94/76/377729476.db2.gz GIHJIGBIDASIIK-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000574961092 377729484 /nfs/dbraw/zinc/72/94/84/377729484.db2.gz GIHJIGBIDASIIK-UHFFFAOYSA-N 2 2 289.448 3.194 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000342718523 377753240 /nfs/dbraw/zinc/75/32/40/377753240.db2.gz GLJGAUMGHMGPBH-BFYDXBDKSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000342718523 377753246 /nfs/dbraw/zinc/75/32/46/377753246.db2.gz GLJGAUMGHMGPBH-BFYDXBDKSA-N 2 2 260.425 3.080 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC3(CCCC3)CC2)[nH+]1 ZINC000342725129 377758137 /nfs/dbraw/zinc/75/81/37/377758137.db2.gz HXLCRJFKPGVSCH-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735878 377764911 /nfs/dbraw/zinc/76/49/11/377764911.db2.gz NIOBRGBVYPKNGT-ZOWXZIJZSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000342735878 377764914 /nfs/dbraw/zinc/76/49/14/377764914.db2.gz NIOBRGBVYPKNGT-ZOWXZIJZSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261572108 377817668 /nfs/dbraw/zinc/81/76/68/377817668.db2.gz ABTJGBWKUFOXIA-WXHSDQCUSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261572108 377817671 /nfs/dbraw/zinc/81/76/71/377817671.db2.gz ABTJGBWKUFOXIA-WXHSDQCUSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591795 377823688 /nfs/dbraw/zinc/82/36/88/377823688.db2.gz YAAVHUSDSXEZOP-QMTHXVAHSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591795 377823698 /nfs/dbraw/zinc/82/36/98/377823698.db2.gz YAAVHUSDSXEZOP-QMTHXVAHSA-N 2 2 270.779 3.211 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262098502 377886935 /nfs/dbraw/zinc/88/69/35/377886935.db2.gz VIRFIMPZWQHEGZ-KBXCAEBGSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262098502 377886939 /nfs/dbraw/zinc/88/69/39/377886939.db2.gz VIRFIMPZWQHEGZ-KBXCAEBGSA-N 2 2 296.414 3.141 20 0 CGADLP CCc1nc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000262223744 377892147 /nfs/dbraw/zinc/89/21/47/377892147.db2.gz MZGKQISTLHAQGD-CHWSQXEVSA-N 2 2 281.469 3.106 20 0 CGADLP CC(C)[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342861851 377843706 /nfs/dbraw/zinc/84/37/06/377843706.db2.gz OJXOFZDLUMGJIW-MRXNPFEDSA-N 2 2 255.365 3.103 20 0 CGADLP CC(C)[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342861851 377843713 /nfs/dbraw/zinc/84/37/13/377843713.db2.gz OJXOFZDLUMGJIW-MRXNPFEDSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342913696 377856751 /nfs/dbraw/zinc/85/67/51/377856751.db2.gz VFGRVMJVRXDGOH-ZIAGYGMSSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342913696 377856756 /nfs/dbraw/zinc/85/67/56/377856756.db2.gz VFGRVMJVRXDGOH-ZIAGYGMSSA-N 2 2 257.381 3.202 20 0 CGADLP Fc1cccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342916208 377858955 /nfs/dbraw/zinc/85/89/55/377858955.db2.gz IKENHPCIZLGEJD-OAHLLOKOSA-N 2 2 295.361 3.463 20 0 CGADLP Fc1cccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342916208 377858960 /nfs/dbraw/zinc/85/89/60/377858960.db2.gz IKENHPCIZLGEJD-OAHLLOKOSA-N 2 2 295.361 3.463 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000564969040 322051972 /nfs/dbraw/zinc/05/19/72/322051972.db2.gz PGTBMUARVXWGGQ-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000578483532 378073260 /nfs/dbraw/zinc/07/32/60/378073260.db2.gz UOYJHHKNSSOWMW-CBZIJGRNSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000578483532 378073263 /nfs/dbraw/zinc/07/32/63/378073263.db2.gz UOYJHHKNSSOWMW-CBZIJGRNSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000343574762 378025475 /nfs/dbraw/zinc/02/54/75/378025475.db2.gz OZVJHUDBQYLIPO-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccccc2)c[nH+]1 ZINC000343917539 378134303 /nfs/dbraw/zinc/13/43/03/378134303.db2.gz PXBWFEBWLNFCAT-UHFFFAOYSA-N 2 2 277.371 3.221 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c2ccccc21 ZINC000343785921 378092108 /nfs/dbraw/zinc/09/21/08/378092108.db2.gz FSGIMGAFMADEJE-GFOFROLCSA-N 2 2 258.409 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c2ccccc21 ZINC000343785921 378092114 /nfs/dbraw/zinc/09/21/14/378092114.db2.gz FSGIMGAFMADEJE-GFOFROLCSA-N 2 2 258.409 3.307 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cncs1 ZINC000268731116 378098609 /nfs/dbraw/zinc/09/86/09/378098609.db2.gz AHLSUEAPAWNCTC-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000579974395 378213901 /nfs/dbraw/zinc/21/39/01/378213901.db2.gz DPCRIWFGNPFMHS-CYBMUJFWSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000579974395 378213905 /nfs/dbraw/zinc/21/39/05/378213905.db2.gz DPCRIWFGNPFMHS-CYBMUJFWSA-N 2 2 283.366 3.035 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4ccccc4)CC3)n2c1 ZINC000269385080 378214699 /nfs/dbraw/zinc/21/46/99/378214699.db2.gz ZIKSNLTYQXXDNS-UHFFFAOYSA-N 2 2 277.371 3.422 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@H]3Cc4ccccc43)CC2)[nH+]c1 ZINC000579988740 378215363 /nfs/dbraw/zinc/21/53/63/378215363.db2.gz WCYPXHCUWBKDQE-MRXNPFEDSA-N 2 2 293.414 3.298 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000268965554 378163176 /nfs/dbraw/zinc/16/31/76/378163176.db2.gz KVKBXICQOIGKEZ-MRXNPFEDSA-N 2 2 297.402 3.064 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000579496969 378167001 /nfs/dbraw/zinc/16/70/01/378167001.db2.gz XKKWABDWEBUQLK-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000579496969 378167007 /nfs/dbraw/zinc/16/70/07/378167007.db2.gz XKKWABDWEBUQLK-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000269044175 378179995 /nfs/dbraw/zinc/17/99/95/378179995.db2.gz USPNRLXAGNPFRB-ZDUSSCGKSA-N 2 2 276.399 3.493 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000580864672 378263334 /nfs/dbraw/zinc/26/33/34/378263334.db2.gz FKSCTWHGDGCMNY-QGZVFWFLSA-N 2 2 286.463 3.353 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000580864672 378263338 /nfs/dbraw/zinc/26/33/38/378263338.db2.gz FKSCTWHGDGCMNY-QGZVFWFLSA-N 2 2 286.463 3.353 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000345334097 378259046 /nfs/dbraw/zinc/25/90/46/378259046.db2.gz WNZYBKYRPLXXPD-VXGBXAGGSA-N 2 2 269.458 3.257 20 0 CGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000582364283 378308421 /nfs/dbraw/zinc/30/84/21/378308421.db2.gz ANEIWNJEROZIHM-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000582364283 378308426 /nfs/dbraw/zinc/30/84/26/378308426.db2.gz ANEIWNJEROZIHM-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CC2)s1)C1CCCCC1 ZINC000584517225 378391554 /nfs/dbraw/zinc/39/15/54/378391554.db2.gz BBQGRUKWBWTDNI-AWEZNQCLSA-N 2 2 279.453 3.018 20 0 CGADLP COc1ccsc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000271054110 378442275 /nfs/dbraw/zinc/44/22/75/378442275.db2.gz YHTPWYOWSBPMHR-UHFFFAOYSA-N 2 2 294.464 3.207 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cscn1 ZINC000271115605 378453914 /nfs/dbraw/zinc/45/39/14/378453914.db2.gz IIXIESJNYHMYEG-LLVKDONJSA-N 2 2 286.404 3.303 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346138795 378477546 /nfs/dbraw/zinc/47/75/46/378477546.db2.gz UCFLYAPCJTYUCF-LBPRGKRZSA-N 2 2 261.394 3.308 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346138795 378477550 /nfs/dbraw/zinc/47/75/50/378477550.db2.gz UCFLYAPCJTYUCF-LBPRGKRZSA-N 2 2 261.394 3.308 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346164299 378485928 /nfs/dbraw/zinc/48/59/28/378485928.db2.gz IGQNYBMOQPMKFN-STQMWFEESA-N 2 2 293.480 3.282 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346164299 378485935 /nfs/dbraw/zinc/48/59/35/378485935.db2.gz IGQNYBMOQPMKFN-STQMWFEESA-N 2 2 293.480 3.282 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346182568 378495728 /nfs/dbraw/zinc/49/57/28/378495728.db2.gz VIVYPCUWMJZGQB-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@@H]1CC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346182568 378495734 /nfs/dbraw/zinc/49/57/34/378495734.db2.gz VIVYPCUWMJZGQB-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@@H]1CC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346182568 378495738 /nfs/dbraw/zinc/49/57/38/378495738.db2.gz VIVYPCUWMJZGQB-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP CC(C)[C@@H]1CC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346182568 378495739 /nfs/dbraw/zinc/49/57/39/378495739.db2.gz VIVYPCUWMJZGQB-AWEZNQCLSA-N 2 2 293.480 3.140 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346219211 378509613 /nfs/dbraw/zinc/50/96/13/378509613.db2.gz ROMSLEQBKSLCBD-STQMWFEESA-N 2 2 275.421 3.412 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000271991604 378539565 /nfs/dbraw/zinc/53/95/65/378539565.db2.gz QCCPTZZLKUQYTC-HNNXBMFYSA-N 2 2 269.392 3.499 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000271991604 378539572 /nfs/dbraw/zinc/53/95/72/378539572.db2.gz QCCPTZZLKUQYTC-HNNXBMFYSA-N 2 2 269.392 3.499 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000272005443 378544306 /nfs/dbraw/zinc/54/43/06/378544306.db2.gz SIFBMANIRINCEH-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000272005443 378544309 /nfs/dbraw/zinc/54/43/09/378544309.db2.gz SIFBMANIRINCEH-MRXNPFEDSA-N 2 2 273.355 3.249 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346576652 378631021 /nfs/dbraw/zinc/63/10/21/378631021.db2.gz SQGGUWHABRUANG-MAUKXSAKSA-N 2 2 299.418 3.482 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000346498207 378596209 /nfs/dbraw/zinc/59/62/09/378596209.db2.gz XMUWDVUODUJBSF-JLSDUUJJSA-N 2 2 290.451 3.009 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000346645167 378658980 /nfs/dbraw/zinc/65/89/80/378658980.db2.gz NYYOJSYZEXEGCQ-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000346645167 378658983 /nfs/dbraw/zinc/65/89/83/378658983.db2.gz NYYOJSYZEXEGCQ-INIZCTEOSA-N 2 2 288.435 3.192 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637954480 378645352 /nfs/dbraw/zinc/64/53/52/378645352.db2.gz WJRZUUYZXJHOKC-AWEZNQCLSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000637954480 378645356 /nfs/dbraw/zinc/64/53/56/378645356.db2.gz WJRZUUYZXJHOKC-AWEZNQCLSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c(C[NH+](C)C)c1 ZINC000638258349 378747446 /nfs/dbraw/zinc/74/74/46/378747446.db2.gz FSQBWHVGJAGQJZ-QGZVFWFLSA-N 2 2 298.434 3.353 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011012 378753973 /nfs/dbraw/zinc/75/39/73/378753973.db2.gz KLBLNSFYWMBZRJ-SFHVURJKSA-N 3 2 289.467 3.177 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011012 378753980 /nfs/dbraw/zinc/75/39/80/378753980.db2.gz KLBLNSFYWMBZRJ-SFHVURJKSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173470 378722780 /nfs/dbraw/zinc/72/27/80/378722780.db2.gz XRKUSVWVMVPHNN-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173470 378722785 /nfs/dbraw/zinc/72/27/85/378722785.db2.gz XRKUSVWVMVPHNN-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000347851876 378728793 /nfs/dbraw/zinc/72/87/93/378728793.db2.gz IWSIGXHZRFUGPM-SFHVURJKSA-N 2 2 287.451 3.094 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000347851876 378728800 /nfs/dbraw/zinc/72/88/00/378728800.db2.gz IWSIGXHZRFUGPM-SFHVURJKSA-N 2 2 287.451 3.094 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348078874 378781058 /nfs/dbraw/zinc/78/10/58/378781058.db2.gz FMQNALSUPMAJQG-LSDHHAIUSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638419000 378796676 /nfs/dbraw/zinc/79/66/76/378796676.db2.gz HOGYWFIMWUDPRE-DGCLKSJQSA-N 2 2 277.318 3.006 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000638620052 378853303 /nfs/dbraw/zinc/85/33/03/378853303.db2.gz XWHVFFAEZMDNKO-VNHYZAJKSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638620052 378853311 /nfs/dbraw/zinc/85/33/11/378853311.db2.gz XWHVFFAEZMDNKO-VNHYZAJKSA-N 2 2 282.378 3.140 20 0 CGADLP CC[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000348242183 378859346 /nfs/dbraw/zinc/85/93/46/378859346.db2.gz KNAAKKPJPNHFLQ-JKSUJKDBSA-N 2 2 271.408 3.303 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC000346881606 218045918 /nfs/dbraw/zinc/04/59/18/218045918.db2.gz OAJBLRQCZMZZLT-OLZOCXBDSA-N 2 2 281.469 3.367 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000348383463 378935209 /nfs/dbraw/zinc/93/52/09/378935209.db2.gz DDEMOQYYLGBVSI-QGZVFWFLSA-N 2 2 260.425 3.339 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)CCC(C)(C)C ZINC000348347935 378920790 /nfs/dbraw/zinc/92/07/90/378920790.db2.gz TWOAHODLCRUJHG-MRXNPFEDSA-N 2 2 278.440 3.099 20 0 CGADLP Cc1cnc(CC[N@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000275222197 378950576 /nfs/dbraw/zinc/95/05/76/378950576.db2.gz JYBPGDNCTZIEEQ-UHFFFAOYSA-N 2 2 289.448 3.262 20 0 CGADLP Cc1cnc(CC[N@@H+](C)CCCc2c[nH+]ccc2C)s1 ZINC000275222197 378950583 /nfs/dbraw/zinc/95/05/83/378950583.db2.gz JYBPGDNCTZIEEQ-UHFFFAOYSA-N 2 2 289.448 3.262 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000348434947 378954209 /nfs/dbraw/zinc/95/42/09/378954209.db2.gz WMUGTSQRPGMQCL-UKRRQHHQSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000347053285 218105486 /nfs/dbraw/zinc/10/54/86/218105486.db2.gz SBUQFLWXYQQNJA-UHFFFAOYSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000370306617 379005424 /nfs/dbraw/zinc/00/54/24/379005424.db2.gz WOTBHZHFVWONCR-AEGPPILISA-N 2 2 262.397 3.174 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000370306617 379005428 /nfs/dbraw/zinc/00/54/28/379005428.db2.gz WOTBHZHFVWONCR-AEGPPILISA-N 2 2 262.397 3.174 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC2CCC1CC2 ZINC000639070582 379001236 /nfs/dbraw/zinc/00/12/36/379001236.db2.gz ATRQAWMUZKCKSR-CHQKBHSXSA-N 2 2 273.424 3.002 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000347180508 218146273 /nfs/dbraw/zinc/14/62/73/218146273.db2.gz USIMCHWWUGBIMK-GDBMZVCRSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000347180508 218146274 /nfs/dbraw/zinc/14/62/74/218146274.db2.gz USIMCHWWUGBIMK-GDBMZVCRSA-N 2 2 276.424 3.176 20 0 CGADLP CC1CCC(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000347126504 218131381 /nfs/dbraw/zinc/13/13/81/218131381.db2.gz KXLHPUKZNSLADD-VMBOVVBDSA-N 2 2 274.408 3.361 20 0 CGADLP CC1CCC(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000347126504 218131383 /nfs/dbraw/zinc/13/13/83/218131383.db2.gz KXLHPUKZNSLADD-VMBOVVBDSA-N 2 2 274.408 3.361 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1(C)CCC1 ZINC000348808423 379061595 /nfs/dbraw/zinc/06/15/95/379061595.db2.gz LDPUXUHWRDPIMF-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1(C)CCC1 ZINC000348808423 379061599 /nfs/dbraw/zinc/06/15/99/379061599.db2.gz LDPUXUHWRDPIMF-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@H+](C)CC1(C)CCC1)Cc1ccco1 ZINC000348808423 379061604 /nfs/dbraw/zinc/06/16/04/379061604.db2.gz LDPUXUHWRDPIMF-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP C[NH+](CCC[N@@H+](C)CC1(C)CCC1)Cc1ccco1 ZINC000348808423 379061609 /nfs/dbraw/zinc/06/16/09/379061609.db2.gz LDPUXUHWRDPIMF-UHFFFAOYSA-N 2 2 264.413 3.224 20 0 CGADLP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124075 379163591 /nfs/dbraw/zinc/16/35/91/379163591.db2.gz ASZUZOLWYARADU-ZBFHGGJFSA-N 2 2 299.418 3.022 20 0 CGADLP COc1ccc([C@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124075 379163599 /nfs/dbraw/zinc/16/35/99/379163599.db2.gz ASZUZOLWYARADU-ZBFHGGJFSA-N 2 2 299.418 3.022 20 0 CGADLP Cc1nc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C)c(C)[nH+]1 ZINC000372297924 379192970 /nfs/dbraw/zinc/19/29/70/379192970.db2.gz LJNUUJUUIUSHJE-MRXNPFEDSA-N 2 2 282.391 3.000 20 0 CGADLP Cc1nc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C)c(C)[nH+]1 ZINC000372297924 379192980 /nfs/dbraw/zinc/19/29/80/379192980.db2.gz LJNUUJUUIUSHJE-MRXNPFEDSA-N 2 2 282.391 3.000 20 0 CGADLP CC(C)[N@H+](Cc1cccnc1)Cc1cccc2[nH+]ccn21 ZINC000349274505 379212522 /nfs/dbraw/zinc/21/25/22/379212522.db2.gz FXJVVMOCWCHXLE-UHFFFAOYSA-N 2 2 280.375 3.140 20 0 CGADLP CC(C)[N@@H+](Cc1cccnc1)Cc1cccc2[nH+]ccn21 ZINC000349274505 379212531 /nfs/dbraw/zinc/21/25/31/379212531.db2.gz FXJVVMOCWCHXLE-UHFFFAOYSA-N 2 2 280.375 3.140 20 0 CGADLP Cc1ccc(CCC[N@H+](Cc2ccccn2)C2CC2)c[nH+]1 ZINC000349271478 379213289 /nfs/dbraw/zinc/21/32/89/379213289.db2.gz BMHQASCUKWTNPQ-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP Cc1ccc(CCC[N@@H+](Cc2ccccn2)C2CC2)c[nH+]1 ZINC000349271478 379213298 /nfs/dbraw/zinc/21/32/98/379213298.db2.gz BMHQASCUKWTNPQ-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000373107971 379224271 /nfs/dbraw/zinc/22/42/71/379224271.db2.gz YSYBBNCJKQZEJM-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000373107971 379224275 /nfs/dbraw/zinc/22/42/75/379224275.db2.gz YSYBBNCJKQZEJM-AWEZNQCLSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000373109129 379224414 /nfs/dbraw/zinc/22/44/14/379224414.db2.gz FLCDGOABEGSJKT-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000373109129 379224419 /nfs/dbraw/zinc/22/44/19/379224419.db2.gz FLCDGOABEGSJKT-HNNXBMFYSA-N 2 2 261.413 3.180 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349310707 379225177 /nfs/dbraw/zinc/22/51/77/379225177.db2.gz BRMIESUTCCKNGH-UHFFFAOYSA-N 2 2 272.436 3.165 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349310707 379225180 /nfs/dbraw/zinc/22/51/80/379225180.db2.gz BRMIESUTCCKNGH-UHFFFAOYSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)CCC2 ZINC000374205418 379391716 /nfs/dbraw/zinc/39/17/16/379391716.db2.gz PIKICYRTMOFAKS-ZFWWWQNUSA-N 2 2 285.391 3.125 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C ZINC000349854259 379424674 /nfs/dbraw/zinc/42/46/74/379424674.db2.gz MYDMANINXVAKCP-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c(C)n1 ZINC000639558598 379471458 /nfs/dbraw/zinc/47/14/58/379471458.db2.gz GUYVMBSMHVFNCP-UHFFFAOYSA-N 2 2 287.451 3.067 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(C)n1 ZINC000639558598 379471465 /nfs/dbraw/zinc/47/14/65/379471465.db2.gz GUYVMBSMHVFNCP-UHFFFAOYSA-N 2 2 287.451 3.067 20 0 CGADLP Cc1cc(C)c(CN2CCC3(CCC[N@H+]3C)CC2)c(C)[nH+]1 ZINC000639558598 379471469 /nfs/dbraw/zinc/47/14/69/379471469.db2.gz GUYVMBSMHVFNCP-UHFFFAOYSA-N 2 2 287.451 3.067 20 0 CGADLP Cc1cc(C)c(CN2CCC3(CCC[N@@H+]3C)CC2)c(C)[nH+]1 ZINC000639558598 379471473 /nfs/dbraw/zinc/47/14/73/379471473.db2.gz GUYVMBSMHVFNCP-UHFFFAOYSA-N 2 2 287.451 3.067 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000280052358 379592557 /nfs/dbraw/zinc/59/25/57/379592557.db2.gz XRFCSGCAYQDCGJ-MAUKXSAKSA-N 2 2 283.419 3.171 20 0 CGADLP C[C@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768919 379600394 /nfs/dbraw/zinc/60/03/94/379600394.db2.gz OWJHSXVJCIZMDW-KBPBESRZSA-N 2 2 261.413 3.135 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926850 379648361 /nfs/dbraw/zinc/64/83/61/379648361.db2.gz BWYRBAYYFARPEP-ZFWWWQNUSA-N 2 2 262.397 3.147 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926850 379648370 /nfs/dbraw/zinc/64/83/70/379648370.db2.gz BWYRBAYYFARPEP-ZFWWWQNUSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926850 379648378 /nfs/dbraw/zinc/64/83/78/379648378.db2.gz BWYRBAYYFARPEP-ZFWWWQNUSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926850 379648385 /nfs/dbraw/zinc/64/83/85/379648385.db2.gz BWYRBAYYFARPEP-ZFWWWQNUSA-N 2 2 262.397 3.147 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000350937492 379617190 /nfs/dbraw/zinc/61/71/90/379617190.db2.gz HCDMDZBRCOSCCQ-LSDHHAIUSA-N 2 2 261.413 3.300 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981542 379671522 /nfs/dbraw/zinc/67/15/22/379671522.db2.gz KTEZBJOCGKHYCN-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP FC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000640155567 379736473 /nfs/dbraw/zinc/73/64/73/379736473.db2.gz XLINKVRSOLBUFS-INIZCTEOSA-N 2 2 282.378 3.302 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)cc1C)CCC2 ZINC000377837176 379748728 /nfs/dbraw/zinc/74/87/28/379748728.db2.gz JTQJAVSLOKOHSR-QGZVFWFLSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280787881 379789372 /nfs/dbraw/zinc/78/93/72/379789372.db2.gz HHWAUBGFVULJKY-GOSISDBHSA-N 2 2 281.403 3.459 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000347755057 218346192 /nfs/dbraw/zinc/34/61/92/218346192.db2.gz XEWXAAJWPFSQRV-INIZCTEOSA-N 2 2 275.440 3.397 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000347755057 218346194 /nfs/dbraw/zinc/34/61/94/218346194.db2.gz XEWXAAJWPFSQRV-INIZCTEOSA-N 2 2 275.440 3.397 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282415220 379915184 /nfs/dbraw/zinc/91/51/84/379915184.db2.gz SIJZYWHXDXBELM-OAHLLOKOSA-N 2 2 291.398 3.171 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000389798430 379902221 /nfs/dbraw/zinc/90/22/21/379902221.db2.gz AMMKYCSDLSBTOB-RKYPPNDESA-N 2 2 272.436 3.141 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000389798430 379902224 /nfs/dbraw/zinc/90/22/24/379902224.db2.gz AMMKYCSDLSBTOB-RKYPPNDESA-N 2 2 272.436 3.141 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000389849510 379902343 /nfs/dbraw/zinc/90/23/43/379902343.db2.gz UDOKMIUNJQCEJG-DJIMGWMZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000389849510 379902346 /nfs/dbraw/zinc/90/23/46/379902346.db2.gz UDOKMIUNJQCEJG-DJIMGWMZSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000389810380 379903570 /nfs/dbraw/zinc/90/35/70/379903570.db2.gz FIVDAZKZPCKFNW-JCGIZDLHSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000389810380 379903580 /nfs/dbraw/zinc/90/35/80/379903580.db2.gz FIVDAZKZPCKFNW-JCGIZDLHSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000389840704 379903733 /nfs/dbraw/zinc/90/37/33/379903733.db2.gz NOBZINZAQCXOMP-LMMKCTJWSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000389840704 379903741 /nfs/dbraw/zinc/90/37/41/379903741.db2.gz NOBZINZAQCXOMP-LMMKCTJWSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000402353764 379964219 /nfs/dbraw/zinc/96/42/19/379964219.db2.gz ATUTXRNVFVDIBR-CVEARBPZSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc2ccccc2o1 ZINC000398984769 379933343 /nfs/dbraw/zinc/93/33/43/379933343.db2.gz HJFDMWTXBDUBME-MBNYWOFBSA-N 2 2 258.365 3.224 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324918 379947931 /nfs/dbraw/zinc/94/79/31/379947931.db2.gz CZCFBQGNHGSBAL-COPLHBTASA-N 2 2 252.789 3.131 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CCOC)c2ccc(C)o2)CC1 ZINC000352964502 380058206 /nfs/dbraw/zinc/05/82/06/380058206.db2.gz BSVVBNUNADELJV-INIZCTEOSA-N 2 2 294.439 3.130 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000641753530 380078705 /nfs/dbraw/zinc/07/87/05/380078705.db2.gz JEYDXXGAPTUPEX-KGLIPLIRSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000641753529 380079169 /nfs/dbraw/zinc/07/91/69/380079169.db2.gz JEYDXXGAPTUPEX-KBPBESRZSA-N 2 2 261.413 3.278 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352929545 380045559 /nfs/dbraw/zinc/04/55/59/380045559.db2.gz GYOMPJOIVJTTOE-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352929545 380045567 /nfs/dbraw/zinc/04/55/67/380045567.db2.gz GYOMPJOIVJTTOE-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352929545 380045576 /nfs/dbraw/zinc/04/55/76/380045576.db2.gz GYOMPJOIVJTTOE-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CCCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000352929545 380045583 /nfs/dbraw/zinc/04/55/83/380045583.db2.gz GYOMPJOIVJTTOE-WMZOPIPTSA-N 2 2 288.435 3.001 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000414495084 380270019 /nfs/dbraw/zinc/27/00/19/380270019.db2.gz BCRMQURPCCOGOL-YOEHRIQHSA-N 2 2 276.424 3.116 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501104 380321933 /nfs/dbraw/zinc/32/19/33/380321933.db2.gz USKKYBXRDPCJFO-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643502203 380324307 /nfs/dbraw/zinc/32/43/07/380324307.db2.gz ZQTOZENABALDTJ-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1F ZINC000643502145 380324599 /nfs/dbraw/zinc/32/45/99/380324599.db2.gz YCUCENJOSJDZIB-WCQYABFASA-N 2 2 282.428 3.340 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C(C)C)cc1 ZINC000643502096 380324801 /nfs/dbraw/zinc/32/48/01/380324801.db2.gz XMTDPXRHFQITFT-NVXWUHKLSA-N 2 2 276.424 3.124 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502104 380325144 /nfs/dbraw/zinc/32/51/44/380325144.db2.gz XNGCLZVVRBJUFH-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000643502960 380326062 /nfs/dbraw/zinc/32/60/62/380326062.db2.gz VZAIMWAKGXMBEB-KOLCDFICSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Br)c1 ZINC000643506068 380326663 /nfs/dbraw/zinc/32/66/63/380326663.db2.gz JRXAWECLNIVCMR-CQSZACIVSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000643506200 380328361 /nfs/dbraw/zinc/32/83/61/380328361.db2.gz OBFJFSVVBIZRRT-JTQLQIEISA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc2c(s1)CCCC2 ZINC000643506590 380328489 /nfs/dbraw/zinc/32/84/89/380328489.db2.gz CGBPBMBJJVXENJ-NSHDSACASA-N 2 2 264.438 3.030 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000643508543 380332107 /nfs/dbraw/zinc/33/21/07/380332107.db2.gz BPHGONLINJJPTB-KZNAEPCWSA-N 2 2 290.451 3.357 20 0 CGADLP COc1ccccc1C[N@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 ZINC000414671126 380364294 /nfs/dbraw/zinc/36/42/94/380364294.db2.gz FJODELDTMKSYTE-HNNXBMFYSA-N 2 2 276.424 3.033 20 0 CGADLP COc1ccccc1C[N@@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 ZINC000414671126 380364300 /nfs/dbraw/zinc/36/43/00/380364300.db2.gz FJODELDTMKSYTE-HNNXBMFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000643526075 380340427 /nfs/dbraw/zinc/34/04/27/380340427.db2.gz OTNTUNINWGMEEP-QPUJVOFHSA-N 2 2 261.196 3.381 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000643525105 380340712 /nfs/dbraw/zinc/34/07/12/380340712.db2.gz WAVNSFVQIJTFPF-QRVBRYPASA-N 2 2 298.430 3.387 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528486 380344259 /nfs/dbraw/zinc/34/42/59/380344259.db2.gz KCSQHHFTZPBXMQ-NEPJUHHUSA-N 2 2 289.448 3.040 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660981 380356125 /nfs/dbraw/zinc/35/61/25/380356125.db2.gz PIOUBEUVRRFQQX-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660981 380356137 /nfs/dbraw/zinc/35/61/37/380356137.db2.gz PIOUBEUVRRFQQX-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCS2 ZINC000643538204 380356500 /nfs/dbraw/zinc/35/65/00/380356500.db2.gz BAENXTNSFYFABR-YDHLFZDLSA-N 2 2 294.439 3.130 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826209 380435813 /nfs/dbraw/zinc/43/58/13/380435813.db2.gz FCOVKJGTEHYNIK-INIZCTEOSA-N 2 2 274.795 3.438 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000414827498 380436177 /nfs/dbraw/zinc/43/61/77/380436177.db2.gz HCJZHWZMEXDCNZ-INIZCTEOSA-N 2 2 274.795 3.438 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414838398 380446044 /nfs/dbraw/zinc/44/60/44/380446044.db2.gz KRQOLFATUYVGRJ-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCC2CC2)CCCCC1 ZINC000414838633 380446371 /nfs/dbraw/zinc/44/63/71/380446371.db2.gz IKOYYYZRTCRNCR-UHFFFAOYSA-N 2 2 288.435 3.227 20 0 CGADLP CCCc1csc(C[NH2+][C@H](C[NH3+])C2CCCCC2)n1 ZINC000414841070 380448711 /nfs/dbraw/zinc/44/87/11/380448711.db2.gz MYHFAJGJAGMNHB-CQSZACIVSA-N 2 2 281.469 3.093 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(C3CC3)CCC2)c[nH+]1 ZINC000354474049 380452706 /nfs/dbraw/zinc/45/27/06/380452706.db2.gz ZCPIDNCURFVPPF-UHFFFAOYSA-N 2 2 258.409 3.493 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc(N(C)C)c2)c[nH+]1 ZINC000354329803 380400864 /nfs/dbraw/zinc/40/08/64/380400864.db2.gz MVAZOYBAPWHZKG-UHFFFAOYSA-N 2 2 283.419 3.178 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c[nH+]1 ZINC000354328902 380401323 /nfs/dbraw/zinc/40/13/23/380401323.db2.gz JUHCXMPHKKYNSF-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c[nH+]1 ZINC000354328902 380401329 /nfs/dbraw/zinc/40/13/29/380401329.db2.gz JUHCXMPHKKYNSF-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414788365 380404926 /nfs/dbraw/zinc/40/49/26/380404926.db2.gz NQUXLLYTJCTXAO-RDTXWAMCSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414788365 380404930 /nfs/dbraw/zinc/40/49/30/380404930.db2.gz NQUXLLYTJCTXAO-RDTXWAMCSA-N 2 2 296.414 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414789594 380405108 /nfs/dbraw/zinc/40/51/08/380405108.db2.gz FKXDNKRNVKTQFS-OAHLLOKOSA-N 2 2 296.842 3.202 20 0 CGADLP CCN(C)c1ccc(CNc2ccc([C@@H](C)[NH3+])cc2)c[nH+]1 ZINC000414804533 380416154 /nfs/dbraw/zinc/41/61/54/380416154.db2.gz KSRSGGPCIRCOGW-CYBMUJFWSA-N 2 2 284.407 3.170 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414930620 380492837 /nfs/dbraw/zinc/49/28/37/380492837.db2.gz PAXJRPHQUSTKPT-IINYFYTJSA-N 2 2 286.341 3.101 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414930295 380493167 /nfs/dbraw/zinc/49/31/67/380493167.db2.gz PVUXXBOQKPGMBV-AWEZNQCLSA-N 2 2 293.480 3.278 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414930624 380493988 /nfs/dbraw/zinc/49/39/88/380493988.db2.gz PAXJRPHQUSTKPT-QMTHXVAHSA-N 2 2 286.341 3.101 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414937559 380497247 /nfs/dbraw/zinc/49/72/47/380497247.db2.gz HUCLXXVHMNCLMR-KCJUWKMLSA-N 2 2 291.197 3.220 20 0 CGADLP CC1([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]CC1 ZINC000414939074 380498282 /nfs/dbraw/zinc/49/82/82/380498282.db2.gz JCYJPBBQGQYTDO-UHFFFAOYSA-N 2 2 290.304 3.076 20 0 CGADLP CC1([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000414947488 380502290 /nfs/dbraw/zinc/50/22/90/380502290.db2.gz WDHFJNSGTOKWOY-UHFFFAOYSA-N 2 2 273.207 3.225 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000414947586 380502355 /nfs/dbraw/zinc/50/23/55/380502355.db2.gz KWJZPYAGQYRVCN-JOYOIKCWSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)c2nccs2)c[nH+]1 ZINC000354653871 380517095 /nfs/dbraw/zinc/51/70/95/380517095.db2.gz SZYIMKWAWGZJQA-GFCCVEGCSA-N 2 2 275.421 3.172 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000414884697 380474567 /nfs/dbraw/zinc/47/45/67/380474567.db2.gz FYEAQAMQZVYWLO-GOSISDBHSA-N 2 2 284.378 3.320 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417299555 380585831 /nfs/dbraw/zinc/58/58/31/380585831.db2.gz NAOBDQLRHCFHON-FRRDWIJNSA-N 2 2 266.454 3.170 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000417355928 380605090 /nfs/dbraw/zinc/60/50/90/380605090.db2.gz ORWXYHYBIOPAFO-JKSUJKDBSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)CC1CCCCC1 ZINC000418127950 380707475 /nfs/dbraw/zinc/70/74/75/380707475.db2.gz PQDNZUKNGQYDIV-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000356883535 380917639 /nfs/dbraw/zinc/91/76/39/380917639.db2.gz VVLLIZUTIHGAEY-NJAFHUGGSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000356996046 380977340 /nfs/dbraw/zinc/97/73/40/380977340.db2.gz HDRLFEQTNIANTF-ZIAGYGMSSA-N 2 2 261.413 3.415 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](C3CCCC3)C2)[nH+]1 ZINC000421398272 380948032 /nfs/dbraw/zinc/94/80/32/380948032.db2.gz YJHYTYNKGRMIJV-HNNXBMFYSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](C3CCCC3)C2)[nH+]1 ZINC000421398272 380948040 /nfs/dbraw/zinc/94/80/40/380948040.db2.gz YJHYTYNKGRMIJV-HNNXBMFYSA-N 2 2 269.392 3.346 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801765 207101715 /nfs/dbraw/zinc/10/17/15/207101715.db2.gz PBYOTOQWRIQUAA-XHDPSFHLSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801765 207101720 /nfs/dbraw/zinc/10/17/20/207101720.db2.gz PBYOTOQWRIQUAA-XHDPSFHLSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358212758 381295542 /nfs/dbraw/zinc/29/55/42/381295542.db2.gz ASIQILHMXXNONM-BVGQSLNGSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358212758 381295549 /nfs/dbraw/zinc/29/55/49/381295549.db2.gz ASIQILHMXXNONM-BVGQSLNGSA-N 2 2 270.420 3.055 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)[NH+](C)C ZINC000360839411 381629354 /nfs/dbraw/zinc/62/93/54/381629354.db2.gz HNWRFKZKLZLHSZ-NWDGAFQWSA-N 2 2 288.357 3.176 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557211 381802268 /nfs/dbraw/zinc/80/22/68/381802268.db2.gz OTJZHJCWYBTJEX-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557211 381802274 /nfs/dbraw/zinc/80/22/74/381802274.db2.gz OTJZHJCWYBTJEX-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557211 381802278 /nfs/dbraw/zinc/80/22/78/381802278.db2.gz OTJZHJCWYBTJEX-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3Cl)CC[C@H]21 ZINC000361557211 381802282 /nfs/dbraw/zinc/80/22/82/381802282.db2.gz OTJZHJCWYBTJEX-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000363384673 382213118 /nfs/dbraw/zinc/21/31/18/382213118.db2.gz NXJZSBKAFFGENK-KRWDZBQOSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000363384673 382213121 /nfs/dbraw/zinc/21/31/21/382213121.db2.gz NXJZSBKAFFGENK-KRWDZBQOSA-N 2 2 267.376 3.247 20 0 CGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236747165 542315738 /nfs/dbraw/zinc/31/57/38/542315738.db2.gz ZMIAEONMWLJUAS-MRXNPFEDSA-N 2 2 299.374 3.186 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235510162 542312642 /nfs/dbraw/zinc/31/26/42/542312642.db2.gz KWSWHPLAKNQVMG-SMDDNHRTSA-N 2 2 286.341 3.498 20 0 CGADLP CC1(C)CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437122 382348305 /nfs/dbraw/zinc/34/83/05/382348305.db2.gz IAMYRAVNAVLMEA-AWEZNQCLSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSCC[C@@H]1C ZINC000289510332 197383377 /nfs/dbraw/zinc/38/33/77/197383377.db2.gz DEBAVRQMCHCWAM-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSCC[C@@H]1C ZINC000289510332 197383379 /nfs/dbraw/zinc/38/33/79/197383379.db2.gz DEBAVRQMCHCWAM-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423563259 533001256 /nfs/dbraw/zinc/00/12/56/533001256.db2.gz RHFINRDOBDWPGM-OCCSQVGLSA-N 2 2 264.438 3.201 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751145 220305316 /nfs/dbraw/zinc/30/53/16/220305316.db2.gz IWBIJOHNZZKPCN-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751145 220305320 /nfs/dbraw/zinc/30/53/20/220305320.db2.gz IWBIJOHNZZKPCN-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751145 220305322 /nfs/dbraw/zinc/30/53/22/220305322.db2.gz IWBIJOHNZZKPCN-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2OC)C[C@H]1C ZINC000353751145 220305327 /nfs/dbraw/zinc/30/53/27/220305327.db2.gz IWBIJOHNZZKPCN-WBVHZDCISA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289366055 197313745 /nfs/dbraw/zinc/31/37/45/197313745.db2.gz ZDQLTPJBAXEAEO-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000285663604 542387902 /nfs/dbraw/zinc/38/79/02/542387902.db2.gz MZVVOSIACMPYDJ-GOEBONIOSA-N 2 2 286.423 3.143 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289257857 197277241 /nfs/dbraw/zinc/27/72/41/197277241.db2.gz NZTWEVPMBNQJDW-DYVFJYSZSA-N 2 2 294.402 3.420 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000423235588 533110158 /nfs/dbraw/zinc/11/01/58/533110158.db2.gz GPTYPFASPPWJPN-PXAZEXFGSA-N 2 2 288.366 3.185 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337985877 285200396 /nfs/dbraw/zinc/20/03/96/285200396.db2.gz FITDHKCMHKLPNO-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337985877 285200397 /nfs/dbraw/zinc/20/03/97/285200397.db2.gz FITDHKCMHKLPNO-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000297582371 542409983 /nfs/dbraw/zinc/40/99/83/542409983.db2.gz DOYFNCIZONDLBL-UHFFFAOYSA-N 2 2 289.398 3.402 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000297582371 542409985 /nfs/dbraw/zinc/40/99/85/542409985.db2.gz DOYFNCIZONDLBL-UHFFFAOYSA-N 2 2 289.398 3.402 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(O)cc1 ZINC000309854561 542427065 /nfs/dbraw/zinc/42/70/65/542427065.db2.gz BRFJDZBZCDFDTH-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(O)cc1 ZINC000309854561 542427071 /nfs/dbraw/zinc/42/70/71/542427071.db2.gz BRFJDZBZCDFDTH-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000324111965 542442089 /nfs/dbraw/zinc/44/20/89/542442089.db2.gz LDQFRSMXPCDZGK-KRWDZBQOSA-N 2 2 269.392 3.397 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000348101924 542515512 /nfs/dbraw/zinc/51/55/12/542515512.db2.gz JLUCAHXBCLNFIF-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP CSC1(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCC1 ZINC000356140323 533508927 /nfs/dbraw/zinc/50/89/27/533508927.db2.gz UCTNHHCAOPFKLM-UHFFFAOYSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423282526 533508949 /nfs/dbraw/zinc/50/89/49/533508949.db2.gz VITLYDCREXMASU-DOMZBBRYSA-N 2 2 270.376 3.335 20 0 CGADLP Cc1cccc(NCc2ccc(N(C)C(C)C)[nH+]c2)[nH+]1 ZINC000191517614 130247940 /nfs/dbraw/zinc/24/79/40/130247940.db2.gz XCBOPYOKUWQWLM-UHFFFAOYSA-N 2 2 270.380 3.242 20 0 CGADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000282313657 392287491 /nfs/dbraw/zinc/28/74/91/392287491.db2.gz TYIDNERPDSDESV-FMKPAKJESA-N 2 2 259.397 3.052 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000361691632 392295988 /nfs/dbraw/zinc/29/59/88/392295988.db2.gz FTBMHLIXJICPND-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000361691632 392295995 /nfs/dbraw/zinc/29/59/95/392295995.db2.gz FTBMHLIXJICPND-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccc2c(c1)CC[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000361736325 392307948 /nfs/dbraw/zinc/30/79/48/392307948.db2.gz KZASWSYOEZDBSX-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP Cc1ccc2c(c1)CC[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000361736325 392307954 /nfs/dbraw/zinc/30/79/54/392307954.db2.gz KZASWSYOEZDBSX-UHFFFAOYSA-N 2 2 277.371 3.201 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361812989 392331741 /nfs/dbraw/zinc/33/17/41/392331741.db2.gz NTVPVLLYQSZNEA-RISCZKNCSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361812989 392331746 /nfs/dbraw/zinc/33/17/46/392331746.db2.gz NTVPVLLYQSZNEA-RISCZKNCSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000245885920 131090192 /nfs/dbraw/zinc/09/01/92/131090192.db2.gz LMLIZJJIEFGWLN-HZPDHXFCSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000245885920 131090194 /nfs/dbraw/zinc/09/01/94/131090194.db2.gz LMLIZJJIEFGWLN-HZPDHXFCSA-N 2 2 283.419 3.253 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000249381222 131120812 /nfs/dbraw/zinc/12/08/12/131120812.db2.gz RSSSSUAUFQNZEX-QFBILLFUSA-N 2 2 295.430 3.102 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000249381222 131120814 /nfs/dbraw/zinc/12/08/14/131120814.db2.gz RSSSSUAUFQNZEX-QFBILLFUSA-N 2 2 295.430 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966988 392377557 /nfs/dbraw/zinc/37/75/57/392377557.db2.gz IHMBFFYJEBOEHT-YZVOILCLSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000361966988 392377564 /nfs/dbraw/zinc/37/75/64/392377564.db2.gz IHMBFFYJEBOEHT-YZVOILCLSA-N 2 2 295.430 3.349 20 0 CGADLP Cc1cccc(CCCNc2cc(C)[nH+]c(C3CC3)n2)[nH+]1 ZINC000286702245 392387424 /nfs/dbraw/zinc/38/74/24/392387424.db2.gz YOJHGRPXJQRKSE-UHFFFAOYSA-N 2 2 282.391 3.411 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000289582625 392425174 /nfs/dbraw/zinc/42/51/74/392425174.db2.gz HKVAITPFTJXPHT-ZDUSSCGKSA-N 2 2 291.826 3.179 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289582625 392425180 /nfs/dbraw/zinc/42/51/80/392425180.db2.gz HKVAITPFTJXPHT-ZDUSSCGKSA-N 2 2 291.826 3.179 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000287675928 392402945 /nfs/dbraw/zinc/40/29/45/392402945.db2.gz WAAORVUYSMLADX-YWPYICTPSA-N 2 2 296.455 3.366 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000287675928 392402946 /nfs/dbraw/zinc/40/29/46/392402946.db2.gz WAAORVUYSMLADX-YWPYICTPSA-N 2 2 296.455 3.366 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(C)c1F ZINC000154650851 392536711 /nfs/dbraw/zinc/53/67/11/392536711.db2.gz GZYYIECRHKFUHO-ZFWWWQNUSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc(C)c1F ZINC000154650851 392536715 /nfs/dbraw/zinc/53/67/15/392536715.db2.gz GZYYIECRHKFUHO-ZFWWWQNUSA-N 2 2 264.388 3.187 20 0 CGADLP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151520030 392485282 /nfs/dbraw/zinc/48/52/82/392485282.db2.gz UQMLDOAGFWZYJM-MZBDJJRSSA-N 2 2 284.407 3.182 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100868 392487144 /nfs/dbraw/zinc/48/71/44/392487144.db2.gz IPVCXQYJTOREEI-CYBMUJFWSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100868 392487147 /nfs/dbraw/zinc/48/71/47/392487147.db2.gz IPVCXQYJTOREEI-CYBMUJFWSA-N 2 2 263.429 3.317 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccco3)CC2)C1 ZINC000152036289 392493553 /nfs/dbraw/zinc/49/35/53/392493553.db2.gz WVRSDXYDEPTOCF-ZBFHGGJFSA-N 2 2 276.424 3.412 20 0 CGADLP CN(C)c1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297938566 392571446 /nfs/dbraw/zinc/57/14/46/392571446.db2.gz VAGQUFKPDBXPJV-UHFFFAOYSA-N 2 2 296.418 3.229 20 0 CGADLP C[NH+](C)c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297938566 392571448 /nfs/dbraw/zinc/57/14/48/392571448.db2.gz VAGQUFKPDBXPJV-UHFFFAOYSA-N 2 2 296.418 3.229 20 0 CGADLP c1ccc2[nH+]c(N3CCC[C@@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000270538496 285495758 /nfs/dbraw/zinc/49/57/58/285495758.db2.gz BDMNKGIDBBBAKD-CQSZACIVSA-N 2 2 284.407 3.018 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344753 392608590 /nfs/dbraw/zinc/60/85/90/392608590.db2.gz ILXSTSUIUYLRNC-KFNAQCHYSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344753 392608597 /nfs/dbraw/zinc/60/85/97/392608597.db2.gz ILXSTSUIUYLRNC-KFNAQCHYSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@@H+]1C1CC1 ZINC000647330768 392674699 /nfs/dbraw/zinc/67/46/99/392674699.db2.gz OBLGOFSZUHKDJU-CZUORRHYSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@H+]1C1CC1 ZINC000647330768 392674706 /nfs/dbraw/zinc/67/47/06/392674706.db2.gz OBLGOFSZUHKDJU-CZUORRHYSA-N 2 2 288.410 3.420 20 0 CGADLP CC(C)C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1 ZINC000647283845 392635679 /nfs/dbraw/zinc/63/56/79/392635679.db2.gz PHDCVZXRCAAWRW-KRWDZBQOSA-N 2 2 286.423 3.435 20 0 CGADLP FC(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553666 392767367 /nfs/dbraw/zinc/76/73/67/392767367.db2.gz GQGLNZMYZJHPDO-CQSZACIVSA-N 2 2 280.362 3.389 20 0 CGADLP c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488740 392738862 /nfs/dbraw/zinc/73/88/62/392738862.db2.gz PQGIHIXALSXRBW-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488740 392738865 /nfs/dbraw/zinc/73/88/65/392738865.db2.gz PQGIHIXALSXRBW-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1[NH3+] ZINC000647497264 392740519 /nfs/dbraw/zinc/74/05/19/392740519.db2.gz BCAWWGRSIMBKSF-ONGXEEELSA-N 2 2 292.370 3.326 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)s2)CC[C@@H]1[NH3+] ZINC000647497264 392740523 /nfs/dbraw/zinc/74/05/23/392740523.db2.gz BCAWWGRSIMBKSF-ONGXEEELSA-N 2 2 292.370 3.326 20 0 CGADLP CC[C@H]1C[N@H+](Cc2c(F)cc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000647497617 392740787 /nfs/dbraw/zinc/74/07/87/392740787.db2.gz NXCUUBXOZOWCFI-XHDPSFHLSA-N 2 2 284.806 3.347 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2c(F)cc(C)cc2Cl)CC[C@H]1[NH3+] ZINC000647497617 392740788 /nfs/dbraw/zinc/74/07/88/392740788.db2.gz NXCUUBXOZOWCFI-XHDPSFHLSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F ZINC000647534144 392756338 /nfs/dbraw/zinc/75/63/38/392756338.db2.gz HMWGNIMNGKOXEJ-HIFRSBDPSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F ZINC000647534144 392756343 /nfs/dbraw/zinc/75/63/43/392756343.db2.gz HMWGNIMNGKOXEJ-HIFRSBDPSA-N 2 2 298.352 3.198 20 0 CGADLP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553728 392767128 /nfs/dbraw/zinc/76/71/28/392767128.db2.gz IFJDTMVNTDSPBF-QGZVFWFLSA-N 2 2 270.420 3.328 20 0 CGADLP C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375401993 392778439 /nfs/dbraw/zinc/77/84/39/392778439.db2.gz GUKZGZLALWAERF-CQSZACIVSA-N 2 2 282.391 3.032 20 0 CGADLP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375401993 392778443 /nfs/dbraw/zinc/77/84/43/392778443.db2.gz GUKZGZLALWAERF-CQSZACIVSA-N 2 2 282.391 3.032 20 0 CGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000510499734 392801220 /nfs/dbraw/zinc/80/12/20/392801220.db2.gz AKDGWLBWXHCCEJ-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000510750320 392813025 /nfs/dbraw/zinc/81/30/25/392813025.db2.gz JZLWHABSUKZYTD-JKSUJKDBSA-N 2 2 270.436 3.370 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2[nH+]ccc3[nH]ccc32)c1C ZINC000647861032 392816989 /nfs/dbraw/zinc/81/69/89/392816989.db2.gz KBQDBRVQQUEQGN-UHFFFAOYSA-N 2 2 296.374 3.220 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000375836344 392829688 /nfs/dbraw/zinc/82/96/88/392829688.db2.gz CBLUOGJDQMAXDU-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCCC12CC2)Cc1ccccc1 ZINC000519781726 392895036 /nfs/dbraw/zinc/89/50/36/392895036.db2.gz USORYPWIFYGPRY-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCCC12CC2)Cc1ccccc1 ZINC000519781726 392895038 /nfs/dbraw/zinc/89/50/38/392895038.db2.gz USORYPWIFYGPRY-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@@H+]1C ZINC000194412923 392919775 /nfs/dbraw/zinc/91/97/75/392919775.db2.gz QDLSWEMOKBAMDO-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@H+]1C ZINC000194412923 392919782 /nfs/dbraw/zinc/91/97/82/392919782.db2.gz QDLSWEMOKBAMDO-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412923 392919791 /nfs/dbraw/zinc/91/97/91/392919791.db2.gz QDLSWEMOKBAMDO-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412923 392919795 /nfs/dbraw/zinc/91/97/95/392919795.db2.gz QDLSWEMOKBAMDO-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC=C(C)CC3)cn21 ZINC000648078861 392908843 /nfs/dbraw/zinc/90/88/43/392908843.db2.gz RPDXSPJVWKOFDN-HNNXBMFYSA-N 2 2 269.392 3.274 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC2CCC1CC2 ZINC000381497810 392909472 /nfs/dbraw/zinc/90/94/72/392909472.db2.gz IUXITCACKBBUCQ-PRLABOORSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000381969381 392916557 /nfs/dbraw/zinc/91/65/57/392916557.db2.gz VMZYXXAZABPNSO-OTBWCIGPSA-N 2 2 275.440 3.468 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000336832454 392870575 /nfs/dbraw/zinc/87/05/75/392870575.db2.gz FIHIXENJGZJSDB-ZSGPHXLJSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000336832454 392870584 /nfs/dbraw/zinc/87/05/84/392870584.db2.gz FIHIXENJGZJSDB-ZSGPHXLJSA-N 2 2 270.420 3.451 20 0 CGADLP Cc1cc(F)cc2c1C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000337407153 392883706 /nfs/dbraw/zinc/88/37/06/392883706.db2.gz NHZPHYHKTITKCU-KRWDZBQOSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000337407153 392883710 /nfs/dbraw/zinc/88/37/10/392883710.db2.gz NHZPHYHKTITKCU-KRWDZBQOSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000337407153 392883715 /nfs/dbraw/zinc/88/37/15/392883715.db2.gz NHZPHYHKTITKCU-KRWDZBQOSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000337407153 392883716 /nfs/dbraw/zinc/88/37/16/392883716.db2.gz NHZPHYHKTITKCU-KRWDZBQOSA-N 2 2 290.426 3.367 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000513761757 542733362 /nfs/dbraw/zinc/73/33/62/542733362.db2.gz OFWZDBAENWSNIK-YESZJQIVSA-N 2 2 260.425 3.314 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535692746 542750199 /nfs/dbraw/zinc/75/01/99/542750199.db2.gz QOXKZFPGJASZGM-INIZCTEOSA-N 2 2 292.386 3.172 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535692746 542750202 /nfs/dbraw/zinc/75/02/02/542750202.db2.gz QOXKZFPGJASZGM-INIZCTEOSA-N 2 2 292.386 3.172 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc(C[NH+](CC)CC)cc1 ZINC000526051422 392954888 /nfs/dbraw/zinc/95/48/88/392954888.db2.gz AGNIWMSYBBADQP-UHFFFAOYSA-N 2 2 286.423 3.357 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000462772430 392968815 /nfs/dbraw/zinc/96/88/15/392968815.db2.gz KBMXEFSXIXSGQA-OFLPRAFFSA-N 2 2 296.499 3.292 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000462772430 392968820 /nfs/dbraw/zinc/96/88/20/392968820.db2.gz KBMXEFSXIXSGQA-OFLPRAFFSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1occc1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406135615 392969167 /nfs/dbraw/zinc/96/91/67/392969167.db2.gz ZVSMSTZWUPOIIS-GOSISDBHSA-N 2 2 284.403 3.342 20 0 CGADLP Cc1occc1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406135615 392969175 /nfs/dbraw/zinc/96/91/75/392969175.db2.gz ZVSMSTZWUPOIIS-GOSISDBHSA-N 2 2 284.403 3.342 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000648366917 392984454 /nfs/dbraw/zinc/98/44/54/392984454.db2.gz LNWFVGPLOANGBP-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000648366917 392984458 /nfs/dbraw/zinc/98/44/58/392984458.db2.gz LNWFVGPLOANGBP-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC(C)(C)C[C@H]1C ZINC000412032468 392994290 /nfs/dbraw/zinc/99/42/90/392994290.db2.gz CGMTVSZAZSHPKY-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC(C)(C)C[C@H]1C ZINC000412032468 392994299 /nfs/dbraw/zinc/99/42/99/392994299.db2.gz CGMTVSZAZSHPKY-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412032468 392994304 /nfs/dbraw/zinc/99/43/04/392994304.db2.gz CGMTVSZAZSHPKY-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412032468 392994308 /nfs/dbraw/zinc/99/43/08/392994308.db2.gz CGMTVSZAZSHPKY-CABCVRRESA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000342720035 393004594 /nfs/dbraw/zinc/00/45/94/393004594.db2.gz FSQDGSIUNIZRHM-YWPYICTPSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000342720035 393004601 /nfs/dbraw/zinc/00/46/01/393004601.db2.gz FSQDGSIUNIZRHM-YWPYICTPSA-N 2 2 266.816 3.473 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000545865856 393010522 /nfs/dbraw/zinc/01/05/22/393010522.db2.gz MHGMYJNTXFXZAP-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2cccc(F)c2)CC1 ZINC000545865856 393010527 /nfs/dbraw/zinc/01/05/27/393010527.db2.gz MHGMYJNTXFXZAP-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000648450113 393023754 /nfs/dbraw/zinc/02/37/54/393023754.db2.gz VHGQYZSOLNTQSR-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000648450113 393023757 /nfs/dbraw/zinc/02/37/57/393023757.db2.gz VHGQYZSOLNTQSR-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000343471375 393028393 /nfs/dbraw/zinc/02/83/93/393028393.db2.gz YTEMCAFJHYPYHB-XUJVJEKNSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000343471375 393028397 /nfs/dbraw/zinc/02/83/97/393028397.db2.gz YTEMCAFJHYPYHB-XUJVJEKNSA-N 2 2 264.438 3.009 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000467442050 393100485 /nfs/dbraw/zinc/10/04/85/393100485.db2.gz CUDJWPOQZQZKSR-XJKCOSOUSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000467442050 393100489 /nfs/dbraw/zinc/10/04/89/393100489.db2.gz CUDJWPOQZQZKSR-XJKCOSOUSA-N 2 2 278.465 3.399 20 0 CGADLP c1oc2ccccc2c1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415032842 393104383 /nfs/dbraw/zinc/10/43/83/393104383.db2.gz AZKMSVLLPGFONK-ZWKOTPCHSA-N 2 2 292.382 3.278 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648464999 393035014 /nfs/dbraw/zinc/03/50/14/393035014.db2.gz NJNIVFKZUFYGPF-GWCFXTLKSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648464999 393035018 /nfs/dbraw/zinc/03/50/18/393035018.db2.gz NJNIVFKZUFYGPF-GWCFXTLKSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718238 393052855 /nfs/dbraw/zinc/05/28/55/393052855.db2.gz YZJUGXHLMUMYBS-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718238 393052863 /nfs/dbraw/zinc/05/28/63/393052863.db2.gz YZJUGXHLMUMYBS-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648482232 393056310 /nfs/dbraw/zinc/05/63/10/393056310.db2.gz GHDWKFIWUKFQCY-DKSSEZFCSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648482232 393056314 /nfs/dbraw/zinc/05/63/14/393056314.db2.gz GHDWKFIWUKFQCY-DKSSEZFCSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861413 393056452 /nfs/dbraw/zinc/05/64/52/393056452.db2.gz FJCPMRNMJZMFJM-GHMZBOCLSA-N 2 2 287.234 3.266 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648482231 393056422 /nfs/dbraw/zinc/05/64/22/393056422.db2.gz GHDWKFIWUKFQCY-BJZITVGISA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648482231 393056424 /nfs/dbraw/zinc/05/64/24/393056424.db2.gz GHDWKFIWUKFQCY-BJZITVGISA-N 2 2 284.447 3.006 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573714 393056776 /nfs/dbraw/zinc/05/67/76/393056776.db2.gz TVMMNNDIKZJTQL-INIZCTEOSA-N 2 2 288.435 3.388 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573714 393056783 /nfs/dbraw/zinc/05/67/83/393056783.db2.gz TVMMNNDIKZJTQL-INIZCTEOSA-N 2 2 288.435 3.388 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415037632 393106909 /nfs/dbraw/zinc/10/69/09/393106909.db2.gz GWTBQKMYJDNOEV-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415037632 393106917 /nfs/dbraw/zinc/10/69/17/393106917.db2.gz GWTBQKMYJDNOEV-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246626400 393062332 /nfs/dbraw/zinc/06/23/32/393062332.db2.gz UZAXIGAMZJJRFG-DOMZBBRYSA-N 2 2 284.806 3.470 20 0 CGADLP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246626400 393062339 /nfs/dbraw/zinc/06/23/39/393062339.db2.gz UZAXIGAMZJJRFG-DOMZBBRYSA-N 2 2 284.806 3.470 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414960883 393067517 /nfs/dbraw/zinc/06/75/17/393067517.db2.gz VJUOTNSOULMOKH-GWCFXTLKSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959245 393067608 /nfs/dbraw/zinc/06/76/08/393067608.db2.gz SDUPMSAPVSSSIM-KUHUBIRLSA-N 2 2 298.405 3.233 20 0 CGADLP CC[C@@H]1CN(c2cc(C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000546757418 393073839 /nfs/dbraw/zinc/07/38/39/393073839.db2.gz UKMQAVNUSIQSQN-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP CC[C@@H]1CN(c2cc(C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000546757418 393073843 /nfs/dbraw/zinc/07/38/43/393073843.db2.gz UKMQAVNUSIQSQN-GOSISDBHSA-N 2 2 295.430 3.491 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871543 393080509 /nfs/dbraw/zinc/08/05/09/393080509.db2.gz OHYYMLWBBJZQHD-PMUMKWKESA-N 2 2 272.436 3.166 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871543 393080519 /nfs/dbraw/zinc/08/05/19/393080519.db2.gz OHYYMLWBBJZQHD-PMUMKWKESA-N 2 2 272.436 3.166 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415059468 393119245 /nfs/dbraw/zinc/11/92/45/393119245.db2.gz WYWZYVHANVZOBS-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415059468 393119254 /nfs/dbraw/zinc/11/92/54/393119254.db2.gz WYWZYVHANVZOBS-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000415061731 393121880 /nfs/dbraw/zinc/12/18/80/393121880.db2.gz DEFSCZRTVFSENU-KBAYOESNSA-N 2 2 290.451 3.042 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1sccc1C ZINC000415065014 393123750 /nfs/dbraw/zinc/12/37/50/393123750.db2.gz LZPOBYBWVNTMHK-OAHLLOKOSA-N 2 2 274.433 3.409 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000348433785 393123814 /nfs/dbraw/zinc/12/38/14/393123814.db2.gz WGTDUTPLMYHUGH-DZUCGIPZSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000348433785 393123821 /nfs/dbraw/zinc/12/38/21/393123821.db2.gz WGTDUTPLMYHUGH-DZUCGIPZSA-N 2 2 276.399 3.302 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000252970602 393127935 /nfs/dbraw/zinc/12/79/35/393127935.db2.gz XECXSCQEURPJSA-RCBQFDQVSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@H]1CC[NH2+]C1 ZINC000415088401 393140277 /nfs/dbraw/zinc/14/02/77/393140277.db2.gz XJJLDIICOBLUGL-WOPDTQHZSA-N 2 2 281.469 3.089 20 0 CGADLP Cc1ccc(CCCN2CC[NH2+]Cc3c(C)cccc32)c[nH+]1 ZINC000415103946 393147803 /nfs/dbraw/zinc/14/78/03/393147803.db2.gz QGIYJVYNULVWMD-UHFFFAOYSA-N 2 2 295.430 3.241 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353647955 393227431 /nfs/dbraw/zinc/22/74/31/393227431.db2.gz NGQBQIGBWSPPKB-QGZVFWFLSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353647955 393227442 /nfs/dbraw/zinc/22/74/42/393227442.db2.gz NGQBQIGBWSPPKB-QGZVFWFLSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000353647955 393227448 /nfs/dbraw/zinc/22/74/48/393227448.db2.gz NGQBQIGBWSPPKB-QGZVFWFLSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000353647955 393227457 /nfs/dbraw/zinc/22/74/57/393227457.db2.gz NGQBQIGBWSPPKB-QGZVFWFLSA-N 2 2 290.451 3.392 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000272317215 393259118 /nfs/dbraw/zinc/25/91/18/393259118.db2.gz STCCQELPWFVRTD-IBGZPJMESA-N 2 2 297.446 3.491 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000272317215 393259123 /nfs/dbraw/zinc/25/91/23/393259123.db2.gz STCCQELPWFVRTD-IBGZPJMESA-N 2 2 297.446 3.491 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000268851179 393205808 /nfs/dbraw/zinc/20/58/08/393205808.db2.gz CRWWYVZPAVXLSZ-SOUVJXGZSA-N 2 2 278.440 3.129 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000353208121 393215572 /nfs/dbraw/zinc/21/55/72/393215572.db2.gz JWGMOCVWVYPTLJ-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP CCC1(CC)CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000353208121 393215578 /nfs/dbraw/zinc/21/55/78/393215578.db2.gz JWGMOCVWVYPTLJ-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228968 393216529 /nfs/dbraw/zinc/21/65/29/393216529.db2.gz DMTQHGYVLZPBRB-SGMGOOAPSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228968 393216534 /nfs/dbraw/zinc/21/65/34/393216534.db2.gz DMTQHGYVLZPBRB-SGMGOOAPSA-N 2 2 286.410 3.415 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274786403 393291598 /nfs/dbraw/zinc/29/15/98/393291598.db2.gz QGQDNANIYWISQJ-GFCCVEGCSA-N 2 2 275.783 3.332 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2occc21 ZINC000278797394 393325622 /nfs/dbraw/zinc/32/56/22/393325622.db2.gz QVXQNOZBYZWERS-HNNXBMFYSA-N 2 2 256.349 3.193 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356256490 393397009 /nfs/dbraw/zinc/39/70/09/393397009.db2.gz JQJQFEILWOAWJK-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000356256490 393397016 /nfs/dbraw/zinc/39/70/16/393397016.db2.gz JQJQFEILWOAWJK-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647181820 393373024 /nfs/dbraw/zinc/37/30/24/393373024.db2.gz TZFNZVNYNQRGCQ-CHWSQXEVSA-N 2 2 274.399 3.417 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CCC(F)CC3)n2c1 ZINC000647252578 393414205 /nfs/dbraw/zinc/41/42/05/393414205.db2.gz KKWVDQCHQYJTDA-UHFFFAOYSA-N 2 2 275.371 3.261 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000356345671 393425362 /nfs/dbraw/zinc/42/53/62/393425362.db2.gz YOAWQJGONKOYRP-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000356345671 393425368 /nfs/dbraw/zinc/42/53/68/393425368.db2.gz YOAWQJGONKOYRP-KBAYOESNSA-N 2 2 290.451 3.054 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1c1cccc(F)c1 ZINC000420388553 393480725 /nfs/dbraw/zinc/48/07/25/393480725.db2.gz LHFJBRAAJQCMTM-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1c1cccc(F)c1 ZINC000420388553 393480729 /nfs/dbraw/zinc/48/07/29/393480729.db2.gz LHFJBRAAJQCMTM-DLBZAZTESA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000480772159 393436730 /nfs/dbraw/zinc/43/67/30/393436730.db2.gz PVROXTUHJALWMZ-KBMXLJTQSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000480772159 393436736 /nfs/dbraw/zinc/43/67/36/393436736.db2.gz PVROXTUHJALWMZ-KBMXLJTQSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)c1nc(N2CC[C@](C)(C[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000420233663 393441274 /nfs/dbraw/zinc/44/12/74/393441274.db2.gz AFQRCLRUARZMKO-QGZVFWFLSA-N 2 2 290.455 3.073 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420285657 393449821 /nfs/dbraw/zinc/44/98/21/393449821.db2.gz FIRLTQUUWKYUTQ-UHFFFAOYSA-N 2 2 290.476 3.373 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885657 393459259 /nfs/dbraw/zinc/45/92/59/393459259.db2.gz WYOGOCUDLXWKIB-HOCLYGCPSA-N 2 2 285.366 3.004 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393292 393483064 /nfs/dbraw/zinc/48/30/64/393483064.db2.gz XJRKAMDSCGQXTE-QANKJYHBSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393292 393483069 /nfs/dbraw/zinc/48/30/69/393483069.db2.gz XJRKAMDSCGQXTE-QANKJYHBSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000420320564 393465021 /nfs/dbraw/zinc/46/50/21/393465021.db2.gz QRBIQTPZUZMBMG-NSHDSACASA-N 2 2 268.351 3.057 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000420320564 393465026 /nfs/dbraw/zinc/46/50/26/393465026.db2.gz QRBIQTPZUZMBMG-NSHDSACASA-N 2 2 268.351 3.057 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000420365759 393474441 /nfs/dbraw/zinc/47/44/41/393474441.db2.gz LMNVXQMTEBHSRB-KIGUWFBYSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000488563729 393540097 /nfs/dbraw/zinc/54/00/97/393540097.db2.gz UPKNXJJEMYNNSI-FHLIZLRMSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000488563729 393540099 /nfs/dbraw/zinc/54/00/99/393540099.db2.gz UPKNXJJEMYNNSI-FHLIZLRMSA-N 2 2 272.436 3.143 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351808 393492668 /nfs/dbraw/zinc/49/26/68/393492668.db2.gz MYTOOUSLISJUPZ-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351808 393492672 /nfs/dbraw/zinc/49/26/72/393492672.db2.gz MYTOOUSLISJUPZ-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351808 393492676 /nfs/dbraw/zinc/49/26/76/393492676.db2.gz MYTOOUSLISJUPZ-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351808 393492679 /nfs/dbraw/zinc/49/26/79/393492679.db2.gz MYTOOUSLISJUPZ-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351807 393493043 /nfs/dbraw/zinc/49/30/43/393493043.db2.gz MYTOOUSLISJUPZ-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351807 393493045 /nfs/dbraw/zinc/49/30/45/393493045.db2.gz MYTOOUSLISJUPZ-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351807 393493049 /nfs/dbraw/zinc/49/30/49/393493049.db2.gz MYTOOUSLISJUPZ-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488351807 393493052 /nfs/dbraw/zinc/49/30/52/393493052.db2.gz MYTOOUSLISJUPZ-CYBMUJFWSA-N 2 2 289.398 3.081 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000488420061 393506234 /nfs/dbraw/zinc/50/62/34/393506234.db2.gz VUBRGJBFTZRXAJ-IPYPFGDCSA-N 2 2 255.365 3.179 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792347 393516769 /nfs/dbraw/zinc/51/67/69/393516769.db2.gz KJHPEDLPZKTQSO-FRRDWIJNSA-N 2 2 293.480 3.155 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792347 393516774 /nfs/dbraw/zinc/51/67/74/393516774.db2.gz KJHPEDLPZKTQSO-FRRDWIJNSA-N 2 2 293.480 3.155 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358081373 393519063 /nfs/dbraw/zinc/51/90/63/393519063.db2.gz HYRUFALFNRLBMH-BHYGNILZSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358081373 393519069 /nfs/dbraw/zinc/51/90/69/393519069.db2.gz HYRUFALFNRLBMH-BHYGNILZSA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000488451802 393519653 /nfs/dbraw/zinc/51/96/53/393519653.db2.gz WJHGZNGNDRQWTJ-RRFJBIMHSA-N 2 2 286.529 3.473 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccns2)cc1 ZINC000624047530 542781034 /nfs/dbraw/zinc/78/10/34/542781034.db2.gz GJEXEXKCIIDRLR-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000430557698 393574115 /nfs/dbraw/zinc/57/41/15/393574115.db2.gz OIVSJPBVFLXWDZ-CQSZACIVSA-N 2 2 293.461 3.089 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666770604 542814292 /nfs/dbraw/zinc/81/42/92/542814292.db2.gz MHUJRRYCSRTPOA-CQSZACIVSA-N 2 2 264.438 3.030 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC000666770895 542814561 /nfs/dbraw/zinc/81/45/61/542814561.db2.gz YPRSMYQYMVEDTH-CYBMUJFWSA-N 2 2 286.341 3.246 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(OC(F)F)cc1C ZINC000666769189 542814707 /nfs/dbraw/zinc/81/47/07/542814707.db2.gz VKGVZKGWMKSLPT-AWEZNQCLSA-N 2 2 298.377 3.137 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1C1CC1)c1ccccc1 ZINC000666785910 542815459 /nfs/dbraw/zinc/81/54/59/542815459.db2.gz YYWHYVSZULFHGN-GOSISDBHSA-N 2 2 266.388 3.354 20 0 CGADLP c1ccc(CSCC[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000430744579 393592423 /nfs/dbraw/zinc/59/24/23/393592423.db2.gz OGCHTYBENYVHOY-UHFFFAOYSA-N 2 2 292.492 3.385 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@](C)(C[NH3+])C2CC2)c1C ZINC000430589864 393580747 /nfs/dbraw/zinc/58/07/47/393580747.db2.gz JGRJCRGCCYNZBR-GOSISDBHSA-N 2 2 288.435 3.031 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000423232985 393656434 /nfs/dbraw/zinc/65/64/34/393656434.db2.gz CZHFCOFEGCYWKD-BQGCOEIASA-N 2 2 260.425 3.444 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000423265756 393657691 /nfs/dbraw/zinc/65/76/91/393657691.db2.gz CYNORPXNCQKDHP-LESCRADOSA-N 3 2 298.434 3.040 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423298283 393659999 /nfs/dbraw/zinc/65/99/99/393659999.db2.gz NXFAJPOOISVBNA-HIFRSBDPSA-N 2 2 280.387 3.147 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423301686 393660177 /nfs/dbraw/zinc/66/01/77/393660177.db2.gz UNOBDTKIYHNMKU-GDBMZVCRSA-N 2 2 263.429 3.276 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423301160 393660448 /nfs/dbraw/zinc/66/04/48/393660448.db2.gz SQBLCGYIKNMKCD-GJZGRUSLSA-N 2 2 284.831 3.135 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423444776 393667509 /nfs/dbraw/zinc/66/75/09/393667509.db2.gz MCCCYLCTDFWLHO-HOTUBEGUSA-N 2 2 270.829 3.202 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423459134 393668598 /nfs/dbraw/zinc/66/85/98/393668598.db2.gz HRZHJJPHMGPQGP-JSGCOSHPSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]CC[C@H]3CCOC3)cc2)c1C ZINC000361237506 393710166 /nfs/dbraw/zinc/71/01/66/393710166.db2.gz PHCVGGSFYXLMNF-HNNXBMFYSA-N 2 2 285.391 3.328 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000433306864 393710732 /nfs/dbraw/zinc/71/07/32/393710732.db2.gz TUJRIRCFXYDPCG-CVEARBPZSA-N 2 2 258.409 3.210 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000433306864 393710735 /nfs/dbraw/zinc/71/07/35/393710735.db2.gz TUJRIRCFXYDPCG-CVEARBPZSA-N 2 2 258.409 3.210 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CC[C@H]1CCOC1)[NH+](C)C ZINC000443780043 393772043 /nfs/dbraw/zinc/77/20/43/393772043.db2.gz KLBUQTKAWQDQEE-RYRKJORJSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)CC1CCOCC1 ZINC000444013230 393783990 /nfs/dbraw/zinc/78/39/90/393783990.db2.gz YACAYQLPJCLPMD-INIZCTEOSA-N 2 2 296.499 3.151 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)CC1CCOCC1 ZINC000444013230 393783991 /nfs/dbraw/zinc/78/39/91/393783991.db2.gz YACAYQLPJCLPMD-INIZCTEOSA-N 2 2 296.499 3.151 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000503022237 393889737 /nfs/dbraw/zinc/88/97/37/393889737.db2.gz IOQFLQPYYBLLGK-KURKYZTESA-N 2 2 274.452 3.356 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c[nH+]1 ZINC000449540300 393890595 /nfs/dbraw/zinc/89/05/95/393890595.db2.gz MPQBKAJTQXMIHP-MSOLQXFVSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c[nH+]1 ZINC000449540300 393890597 /nfs/dbraw/zinc/89/05/97/393890597.db2.gz MPQBKAJTQXMIHP-MSOLQXFVSA-N 2 2 270.420 3.443 20 0 CGADLP CC(C)[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C(C)C ZINC000449553921 393899258 /nfs/dbraw/zinc/89/92/58/393899258.db2.gz NBLYCIKRZHUFDU-ZBFHGGJFSA-N 2 2 295.496 3.317 20 0 CGADLP CC(C)[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C(C)C ZINC000449553921 393899262 /nfs/dbraw/zinc/89/92/62/393899262.db2.gz NBLYCIKRZHUFDU-ZBFHGGJFSA-N 2 2 295.496 3.317 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450450998 393996883 /nfs/dbraw/zinc/99/68/83/393996883.db2.gz IDYXDCDOOAVFQO-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450450998 393996885 /nfs/dbraw/zinc/99/68/85/393996885.db2.gz IDYXDCDOOAVFQO-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450450998 393996889 /nfs/dbraw/zinc/99/68/89/393996889.db2.gz IDYXDCDOOAVFQO-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450450998 393996892 /nfs/dbraw/zinc/99/68/92/393996892.db2.gz IDYXDCDOOAVFQO-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453068899 394159954 /nfs/dbraw/zinc/15/99/54/394159954.db2.gz JYUOGALXVFUFPN-LZWOXQAQSA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453068899 394159956 /nfs/dbraw/zinc/15/99/56/394159956.db2.gz JYUOGALXVFUFPN-LZWOXQAQSA-N 2 2 296.480 3.288 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000453084827 394166042 /nfs/dbraw/zinc/16/60/42/394166042.db2.gz WVBNSQARDKNSTE-QGZVFWFLSA-N 2 2 289.467 3.258 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667507095 542881515 /nfs/dbraw/zinc/88/15/15/542881515.db2.gz ZKMDLUBLLHMLNI-SFHVURJKSA-N 2 2 299.418 3.247 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667507095 542881517 /nfs/dbraw/zinc/88/15/17/542881517.db2.gz ZKMDLUBLLHMLNI-SFHVURJKSA-N 2 2 299.418 3.247 20 0 CGADLP CC1(C)C[N@H+](Cc2c[nH+]c3n2CCC3)Cc2ccccc2O1 ZINC000668176395 542981591 /nfs/dbraw/zinc/98/15/91/542981591.db2.gz UGWXDLMYHCCBMO-UHFFFAOYSA-N 2 2 297.402 3.003 20 0 CGADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)Cc2ccccc2O1 ZINC000668176395 542981592 /nfs/dbraw/zinc/98/15/92/542981592.db2.gz UGWXDLMYHCCBMO-UHFFFAOYSA-N 2 2 297.402 3.003 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)n1C ZINC000668234919 542995867 /nfs/dbraw/zinc/99/58/67/542995867.db2.gz ZFCJDRRDNINPIB-BXUZGUMPSA-N 2 2 293.773 3.167 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000668430579 543012464 /nfs/dbraw/zinc/01/24/64/543012464.db2.gz KMOAZEBUJIJQMI-BRWVUGGUSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000668430579 543012466 /nfs/dbraw/zinc/01/24/66/543012466.db2.gz KMOAZEBUJIJQMI-BRWVUGGUSA-N 2 2 272.436 3.253 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000423369959 285622630 /nfs/dbraw/zinc/62/26/30/285622630.db2.gz CVZNFIRBKGDCHS-GDBMZVCRSA-N 2 2 276.424 3.105 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CC2 ZINC000668616801 543035773 /nfs/dbraw/zinc/03/57/73/543035773.db2.gz QVEWHFIOYJMYMO-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)nc1 ZINC000133659674 292105760 /nfs/dbraw/zinc/10/57/60/292105760.db2.gz HEVLXMQPNKJZAJ-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)nc1 ZINC000133659674 292105763 /nfs/dbraw/zinc/10/57/63/292105763.db2.gz HEVLXMQPNKJZAJ-UHFFFAOYSA-N 2 2 283.419 3.002 20 0 CGADLP C[NH+](C)C1(CNc2cc[nH+]c(C(C)(C)C)n2)CCCC1 ZINC000674063135 543265789 /nfs/dbraw/zinc/26/57/89/543265789.db2.gz AVUOPSPTTVZLLH-UHFFFAOYSA-N 2 2 276.428 3.060 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916429 397609902 /nfs/dbraw/zinc/60/99/02/397609902.db2.gz UMLMIGKQWLWXIU-WWGRRREGSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916429 397609903 /nfs/dbraw/zinc/60/99/03/397609903.db2.gz UMLMIGKQWLWXIU-WWGRRREGSA-N 2 2 294.389 3.490 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044683859 397619688 /nfs/dbraw/zinc/61/96/88/397619688.db2.gz MKXRSUSILJDHQJ-GFCCVEGCSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044683859 397619689 /nfs/dbraw/zinc/61/96/89/397619689.db2.gz MKXRSUSILJDHQJ-GFCCVEGCSA-N 2 2 284.325 3.032 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811278 397725979 /nfs/dbraw/zinc/72/59/79/397725979.db2.gz LOPMQBAFVYDNLA-KRWDZBQOSA-N 2 2 270.420 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3(C4CCC4)CC3)C2)cc1 ZINC000649811278 397725983 /nfs/dbraw/zinc/72/59/83/397725983.db2.gz LOPMQBAFVYDNLA-KRWDZBQOSA-N 2 2 270.420 3.183 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384869796 397688285 /nfs/dbraw/zinc/68/82/85/397688285.db2.gz FZIKKCSPUGESHL-FHIRATQRSA-N 2 2 285.391 3.089 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384869799 397688331 /nfs/dbraw/zinc/68/83/31/397688331.db2.gz FZIKKCSPUGESHL-WVZRYYJFSA-N 2 2 285.391 3.089 20 0 CGADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C1CCCCC1 ZINC000389318717 397691524 /nfs/dbraw/zinc/69/15/24/397691524.db2.gz SHHMOGDEFUZWPK-HNNXBMFYSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369022 397710135 /nfs/dbraw/zinc/71/01/35/397710135.db2.gz IBCYCGZFXAYMGO-ABAIWWIYSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369022 397710138 /nfs/dbraw/zinc/71/01/38/397710138.db2.gz IBCYCGZFXAYMGO-ABAIWWIYSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912875 543307117 /nfs/dbraw/zinc/30/71/17/543307117.db2.gz RQGUVGAIDDKLTH-TVQRCGJNSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912875 543307120 /nfs/dbraw/zinc/30/71/20/543307120.db2.gz RQGUVGAIDDKLTH-TVQRCGJNSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766713 543362334 /nfs/dbraw/zinc/36/23/34/543362334.db2.gz OITSFJFLOGKOOY-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766713 543362336 /nfs/dbraw/zinc/36/23/36/543362336.db2.gz OITSFJFLOGKOOY-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000675731730 543358788 /nfs/dbraw/zinc/35/87/88/543358788.db2.gz QNSJMQHBLRYEIO-QGZVFWFLSA-N 2 2 278.415 3.078 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000675732740 543358850 /nfs/dbraw/zinc/35/88/50/543358850.db2.gz FHAHPTONZJQGKW-WMZOPIPTSA-N 2 2 286.463 3.451 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000675732740 543358852 /nfs/dbraw/zinc/35/88/52/543358852.db2.gz FHAHPTONZJQGKW-WMZOPIPTSA-N 2 2 286.463 3.451 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000675753887 543360368 /nfs/dbraw/zinc/36/03/68/543360368.db2.gz GVTRXVWXTGDPNP-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)s1 ZINC000676491510 543399906 /nfs/dbraw/zinc/39/99/06/543399906.db2.gz DMCGKWNCXGLXQI-LLVKDONJSA-N 2 2 290.436 3.308 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000676839520 543421195 /nfs/dbraw/zinc/42/11/95/543421195.db2.gz MIOBQUJUKXEZJT-LLVKDONJSA-N 2 2 293.480 3.285 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805489 543466528 /nfs/dbraw/zinc/46/65/28/543466528.db2.gz MUNQJNSXHVRXGW-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805489 543466529 /nfs/dbraw/zinc/46/65/29/543466529.db2.gz MUNQJNSXHVRXGW-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235024 543498077 /nfs/dbraw/zinc/49/80/77/543498077.db2.gz NFKBFTGKUQLFOI-MPXGXIRNSA-N 2 2 285.366 3.373 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235024 543498080 /nfs/dbraw/zinc/49/80/80/543498080.db2.gz NFKBFTGKUQLFOI-MPXGXIRNSA-N 2 2 285.366 3.373 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000678235320 543498124 /nfs/dbraw/zinc/49/81/24/543498124.db2.gz HVNIIJYZVAHZDK-LBPRGKRZSA-N 2 2 295.308 3.138 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000678235320 543498126 /nfs/dbraw/zinc/49/81/26/543498126.db2.gz HVNIIJYZVAHZDK-LBPRGKRZSA-N 2 2 295.308 3.138 20 0 CGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235022 543498231 /nfs/dbraw/zinc/49/82/31/543498231.db2.gz NFKBFTGKUQLFOI-DUXHTMCSSA-N 2 2 285.366 3.373 20 0 CGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235022 543498232 /nfs/dbraw/zinc/49/82/32/543498232.db2.gz NFKBFTGKUQLFOI-DUXHTMCSSA-N 2 2 285.366 3.373 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678302956 543513125 /nfs/dbraw/zinc/51/31/25/543513125.db2.gz PGGUUGWBFXGFFG-DZUCGIPZSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678302956 543513126 /nfs/dbraw/zinc/51/31/26/543513126.db2.gz PGGUUGWBFXGFFG-DZUCGIPZSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678498096 543531796 /nfs/dbraw/zinc/53/17/96/543531796.db2.gz ZVYUBXVQYJFLCA-GDBMZVCRSA-N 2 2 271.408 3.340 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000678767644 543555071 /nfs/dbraw/zinc/55/50/71/543555071.db2.gz BPCCAAUIRYDJAQ-RDTXWAMCSA-N 2 2 272.436 3.384 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000678767644 543555075 /nfs/dbraw/zinc/55/50/75/543555075.db2.gz BPCCAAUIRYDJAQ-RDTXWAMCSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000553877050 289243359 /nfs/dbraw/zinc/24/33/59/289243359.db2.gz HVCZMJVNERBRHJ-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000294738639 288437667 /nfs/dbraw/zinc/43/76/67/288437667.db2.gz JNPFITIKYVDFPO-OIISXLGYSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccco1)[N@H+](C)Cc1ccccc1 ZINC000080206429 287063685 /nfs/dbraw/zinc/06/36/85/287063685.db2.gz LXUYROLNKIPUQK-HNNXBMFYSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccco1)[N@@H+](C)Cc1ccccc1 ZINC000080206429 287063688 /nfs/dbraw/zinc/06/36/88/287063688.db2.gz LXUYROLNKIPUQK-HNNXBMFYSA-N 2 2 272.392 3.280 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000080452150 287065565 /nfs/dbraw/zinc/06/55/65/287065565.db2.gz KATHUIXJRGUAAY-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080452150 287065568 /nfs/dbraw/zinc/06/55/68/287065568.db2.gz KATHUIXJRGUAAY-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759179 287085667 /nfs/dbraw/zinc/08/56/67/287085667.db2.gz ZWJVUSPIWUUBLY-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759179 287085668 /nfs/dbraw/zinc/08/56/68/287085668.db2.gz ZWJVUSPIWUUBLY-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070343403 165059306 /nfs/dbraw/zinc/05/93/06/165059306.db2.gz PTXMNIWYANCBIU-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000079742734 165149540 /nfs/dbraw/zinc/14/95/40/165149540.db2.gz JDODBPBQHSHBNA-DOTOQJQBSA-N 2 2 287.451 3.214 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000089142172 165200743 /nfs/dbraw/zinc/20/07/43/165200743.db2.gz LGDYMQQHQFXAAM-GOEBONIOSA-N 2 2 288.439 3.001 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)c1ccccn1 ZINC000090050393 165224061 /nfs/dbraw/zinc/22/40/61/165224061.db2.gz APSVVXBDPNQNCY-CQSZACIVSA-N 2 2 294.402 3.252 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000090721308 287104774 /nfs/dbraw/zinc/10/47/74/287104774.db2.gz YSJXQBZDZMEKTA-GXTWGEPZSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000090721308 287104777 /nfs/dbraw/zinc/10/47/77/287104777.db2.gz YSJXQBZDZMEKTA-GXTWGEPZSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nccs1 ZINC000091725842 165269041 /nfs/dbraw/zinc/26/90/41/165269041.db2.gz WYDLRXOKAIQSJR-VXGBXAGGSA-N 2 2 269.458 3.160 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CC2)n1-c1ccccc1 ZINC000092128787 165281730 /nfs/dbraw/zinc/28/17/30/165281730.db2.gz CPUBWLQYFKLQIB-LBPRGKRZSA-N 2 2 255.365 3.069 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000430696616 287107246 /nfs/dbraw/zinc/10/72/46/287107246.db2.gz QJEMMWVJIQMRIY-NHIYQJMISA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000430696616 287107248 /nfs/dbraw/zinc/10/72/48/287107248.db2.gz QJEMMWVJIQMRIY-NHIYQJMISA-N 2 2 252.446 3.274 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000094836863 165390667 /nfs/dbraw/zinc/39/06/67/165390667.db2.gz RVZUUXYJQLFBFP-CYBMUJFWSA-N 2 2 261.344 3.072 20 0 CGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000294991207 165855655 /nfs/dbraw/zinc/85/56/55/165855655.db2.gz HBBILIIBPAFEAU-UHFFFAOYSA-N 2 2 261.394 3.043 20 0 CGADLP C[NH+](C)C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000020129442 171017746 /nfs/dbraw/zinc/01/77/46/171017746.db2.gz LQNRNTXGYFOVDO-DOTOQJQBSA-N 2 2 258.409 3.235 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)[NH+](C)C ZINC000020201560 171065329 /nfs/dbraw/zinc/06/53/29/171065329.db2.gz RJVOURKBVUSIOE-NVXWUHKLSA-N 2 2 292.467 3.279 20 0 CGADLP CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020306339 171143003 /nfs/dbraw/zinc/14/30/03/171143003.db2.gz LIRHKZMBAUPJEH-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020306339 171143005 /nfs/dbraw/zinc/14/30/05/171143005.db2.gz LIRHKZMBAUPJEH-VMWRSERWSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000035274825 172095214 /nfs/dbraw/zinc/09/52/14/172095214.db2.gz FZBDUQXRYNWYCY-LLVKDONJSA-N 2 2 283.297 3.080 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000035275162 172095639 /nfs/dbraw/zinc/09/56/39/172095639.db2.gz VKEJWPAJWPVDOO-SNVBAGLBSA-N 2 2 284.190 3.368 20 0 CGADLP C[C@@H]([NH2+]CCc1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035661469 172339670 /nfs/dbraw/zinc/33/96/70/172339670.db2.gz OHXYMWOIQIGGGI-CQSZACIVSA-N 2 2 281.359 3.359 20 0 CGADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000285347038 196256834 /nfs/dbraw/zinc/25/68/34/196256834.db2.gz AJTPQEGFRPVHGX-UHFFFAOYSA-N 2 2 298.390 3.272 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041119326 174484989 /nfs/dbraw/zinc/48/49/89/174484989.db2.gz WIEHKNAMAUYPAJ-HNNXBMFYSA-N 2 2 257.381 3.159 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000043326560 175008301 /nfs/dbraw/zinc/00/83/01/175008301.db2.gz SLXWLJYGVXKEHR-MFKMUULPSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000127847306 287297261 /nfs/dbraw/zinc/29/72/61/287297261.db2.gz UUFYWZDEPNNMIT-GFCCVEGCSA-N 2 2 285.322 3.455 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000071123138 176035243 /nfs/dbraw/zinc/03/52/43/176035243.db2.gz KBPJVWINLXYZCX-UHFFFAOYSA-N 2 2 266.816 3.302 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1CC[NH3+] ZINC000404281593 416552383 /nfs/dbraw/zinc/55/23/83/416552383.db2.gz ASQHXTXHVCLZPM-CHWSQXEVSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@@H]1CC[NH3+] ZINC000404281593 416552388 /nfs/dbraw/zinc/55/23/88/416552388.db2.gz ASQHXTXHVCLZPM-CHWSQXEVSA-N 2 2 295.496 3.390 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129058670 416512546 /nfs/dbraw/zinc/51/25/46/416512546.db2.gz DEYSNCCFXJJASD-JQWIXIFHSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129058670 416512552 /nfs/dbraw/zinc/51/25/52/416512552.db2.gz DEYSNCCFXJJASD-JQWIXIFHSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679216025 543600231 /nfs/dbraw/zinc/60/02/31/543600231.db2.gz RPPSFQURFIYBOH-KBPBESRZSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000679216025 543600233 /nfs/dbraw/zinc/60/02/33/543600233.db2.gz RPPSFQURFIYBOH-KBPBESRZSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@@H]([NH2+]C1(C[NH2+]C2CSC2)CCCC1)c1ccccc1 ZINC000679625284 543651209 /nfs/dbraw/zinc/65/12/09/543651209.db2.gz FRDBXCAJDNAJIM-CQSZACIVSA-N 2 2 290.476 3.355 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccncc1 ZINC000680127585 543686846 /nfs/dbraw/zinc/68/68/46/543686846.db2.gz SWSKBYAVYMETAN-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000681052208 543761525 /nfs/dbraw/zinc/76/15/25/543761525.db2.gz RYZYINBKJSDVEC-OAHLLOKOSA-N 2 2 294.402 3.239 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000681113037 543767315 /nfs/dbraw/zinc/76/73/15/543767315.db2.gz VXNQSIVNWFXSPV-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000681113037 543767319 /nfs/dbraw/zinc/76/73/19/543767319.db2.gz VXNQSIVNWFXSPV-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000682078223 543823531 /nfs/dbraw/zinc/82/35/31/543823531.db2.gz WCJDHLNQLABPJR-OLMNPRSZSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000682078223 543823533 /nfs/dbraw/zinc/82/35/33/543823533.db2.gz WCJDHLNQLABPJR-OLMNPRSZSA-N 2 2 281.403 3.454 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CCCCO)[NH+](C)C ZINC000682377998 543838555 /nfs/dbraw/zinc/83/85/55/543838555.db2.gz BZXJXSSLPYVKLY-JZXOWHBKSA-N 2 2 292.467 3.127 20 0 CGADLP CC[N@@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@H]1C ZINC000682467875 543848017 /nfs/dbraw/zinc/84/80/17/543848017.db2.gz QFGULJFBRKDONA-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C[C@H]1C ZINC000682467875 543848019 /nfs/dbraw/zinc/84/80/19/543848019.db2.gz QFGULJFBRKDONA-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000131505863 287382195 /nfs/dbraw/zinc/38/21/95/287382195.db2.gz GEUTTYMHBSEXBI-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1Br ZINC000131505863 287382196 /nfs/dbraw/zinc/38/21/96/287382196.db2.gz GEUTTYMHBSEXBI-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP c1cn(CC[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000131827288 287390318 /nfs/dbraw/zinc/39/03/18/287390318.db2.gz HLXXEBSWOUFQKH-GOSISDBHSA-N 2 2 281.403 3.425 20 0 CGADLP c1cn(CC[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000131827288 287390321 /nfs/dbraw/zinc/39/03/21/287390321.db2.gz HLXXEBSWOUFQKH-GOSISDBHSA-N 2 2 281.403 3.425 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089666 227387952 /nfs/dbraw/zinc/38/79/52/227387952.db2.gz ROYIQPLSNLLTHA-MCIONIFRSA-N 2 2 257.381 3.201 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000683019413 543890064 /nfs/dbraw/zinc/89/00/64/543890064.db2.gz BHGXGMBLOQBVBJ-GUYCJALGSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000683019413 543890067 /nfs/dbraw/zinc/89/00/67/543890067.db2.gz BHGXGMBLOQBVBJ-GUYCJALGSA-N 2 2 287.382 3.361 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089666 227387954 /nfs/dbraw/zinc/38/79/54/227387954.db2.gz ROYIQPLSNLLTHA-MCIONIFRSA-N 2 2 257.381 3.201 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)[C@H]3CC3(C)C)[nH+]c12 ZINC000683773190 543940412 /nfs/dbraw/zinc/94/04/12/543940412.db2.gz VFWZOCCOXBPVIN-UKRRQHHQSA-N 2 2 271.408 3.209 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000684677403 544025435 /nfs/dbraw/zinc/02/54/35/544025435.db2.gz XZMUFWMYZJOKHX-PQEBFOHHSA-N 2 2 264.457 3.275 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684677403 544025438 /nfs/dbraw/zinc/02/54/38/544025438.db2.gz XZMUFWMYZJOKHX-PQEBFOHHSA-N 2 2 264.457 3.275 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684358349 543984916 /nfs/dbraw/zinc/98/49/16/543984916.db2.gz LNFWAHOLNIJIEQ-OAHLLOKOSA-N 2 2 287.382 3.422 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684358349 543984920 /nfs/dbraw/zinc/98/49/20/543984920.db2.gz LNFWAHOLNIJIEQ-OAHLLOKOSA-N 2 2 287.382 3.422 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000684385777 543990909 /nfs/dbraw/zinc/99/09/09/543990909.db2.gz LTQJTIAXGZLLPI-ZWKOTPCHSA-N 2 2 290.451 3.244 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000684391072 543992342 /nfs/dbraw/zinc/99/23/42/543992342.db2.gz PQCDULNBCKKYCD-IRXDYDNUSA-N 2 2 296.499 3.292 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+]C1CSC1)c1ccc(Cl)cc1 ZINC000685436177 544070271 /nfs/dbraw/zinc/07/02/71/544070271.db2.gz SCWZHMNPSZEBGQ-OAHLLOKOSA-N 2 2 298.883 3.428 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+]C1CSC1)c1ccc(Cl)cc1 ZINC000685436177 544070272 /nfs/dbraw/zinc/07/02/72/544070272.db2.gz SCWZHMNPSZEBGQ-OAHLLOKOSA-N 2 2 298.883 3.428 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1Cl ZINC000685470378 544077923 /nfs/dbraw/zinc/07/79/23/544077923.db2.gz JDDZHERVQLCRTG-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1Cl ZINC000685470378 544077925 /nfs/dbraw/zinc/07/79/25/544077925.db2.gz JDDZHERVQLCRTG-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cscc1Cl ZINC000685470378 544077928 /nfs/dbraw/zinc/07/79/28/544077928.db2.gz JDDZHERVQLCRTG-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cscc1Cl ZINC000685470378 544077931 /nfs/dbraw/zinc/07/79/31/544077931.db2.gz JDDZHERVQLCRTG-MFKMUULPSA-N 2 2 272.845 3.174 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000685007176 544052071 /nfs/dbraw/zinc/05/20/71/544052071.db2.gz USGPTSRMAOSGAJ-SFHVURJKSA-N 2 2 293.414 3.200 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216477 418936802 /nfs/dbraw/zinc/93/68/02/418936802.db2.gz WSPHOHPWSNDTBN-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216477 418936805 /nfs/dbraw/zinc/93/68/05/418936805.db2.gz WSPHOHPWSNDTBN-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP C[NH+](C)C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659837577 419005669 /nfs/dbraw/zinc/00/56/69/419005669.db2.gz GHMYEKUKNMKNMC-UHFFFAOYSA-N 2 2 298.883 3.458 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)c(F)c(F)c1 ZINC000665248867 419092029 /nfs/dbraw/zinc/09/20/29/419092029.db2.gz DRTQSNILAOOLNF-SECBINFHSA-N 2 2 272.314 3.026 20 0 CGADLP C[C@@H]([NH2+]CC1CC=CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000660171246 419092720 /nfs/dbraw/zinc/09/27/20/419092720.db2.gz DBWBZUVQQPPLSO-CQSZACIVSA-N 2 2 267.376 3.489 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)c[nH+]c12 ZINC000655810530 419103063 /nfs/dbraw/zinc/10/30/63/419103063.db2.gz FLWIXOVBNHAJRM-IRXDYDNUSA-N 2 2 299.418 3.080 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000665296223 419108841 /nfs/dbraw/zinc/10/88/41/419108841.db2.gz OZWLAEHABYQFAV-MNOVXSKESA-N 2 2 288.407 3.302 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000665296699 419110611 /nfs/dbraw/zinc/11/06/11/419110611.db2.gz WTFFKIPSGCLNTG-ZIAGYGMSSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000665298481 419111011 /nfs/dbraw/zinc/11/10/11/419111011.db2.gz WVSDACIFQUXVLZ-RDTXWAMCSA-N 2 2 286.394 3.307 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3)c[nH+]c12 ZINC000655844970 419117007 /nfs/dbraw/zinc/11/70/07/419117007.db2.gz AZOZSEALKAJAPX-CTYIDZIISA-N 2 2 287.407 3.078 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000655848653 419117863 /nfs/dbraw/zinc/11/78/63/419117863.db2.gz JOYLJWBFBSGLML-XKQJLSEDSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000655848653 419117868 /nfs/dbraw/zinc/11/78/68/419117868.db2.gz JOYLJWBFBSGLML-XKQJLSEDSA-N 2 2 276.399 3.493 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849389 419120516 /nfs/dbraw/zinc/12/05/16/419120516.db2.gz UTFKLQFSGBOXLK-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849389 419120521 /nfs/dbraw/zinc/12/05/21/419120521.db2.gz UTFKLQFSGBOXLK-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nsc3ccccc32)CC[N@@H+]1C ZINC000659983683 419051964 /nfs/dbraw/zinc/05/19/64/419051964.db2.gz SISIUKLLRSWXGI-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2nsc3ccccc32)CC[N@H+]1C ZINC000659983683 419051969 /nfs/dbraw/zinc/05/19/69/419051969.db2.gz SISIUKLLRSWXGI-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983683 419051972 /nfs/dbraw/zinc/05/19/72/419051972.db2.gz SISIUKLLRSWXGI-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983683 419051975 /nfs/dbraw/zinc/05/19/75/419051975.db2.gz SISIUKLLRSWXGI-OLZOCXBDSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+]1CCCC[C@H]1C ZINC000655689658 419066530 /nfs/dbraw/zinc/06/65/30/419066530.db2.gz IYIYAUWLWJPBEI-TUVASFSCSA-N 2 2 270.486 3.123 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+]1CCCC[C@H]1C ZINC000655689658 419066533 /nfs/dbraw/zinc/06/65/33/419066533.db2.gz IYIYAUWLWJPBEI-TUVASFSCSA-N 2 2 270.486 3.123 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CS1 ZINC000655700733 419068428 /nfs/dbraw/zinc/06/84/28/419068428.db2.gz OFQPWPQCWMHBKD-STQMWFEESA-N 2 2 289.448 3.369 20 0 CGADLP COc1cc(C)[nH+]c(COc2cc[nH+]c3c2CCCC3)c1 ZINC000655702498 419069886 /nfs/dbraw/zinc/06/98/86/419069886.db2.gz YYHWLDLPEDAUPC-UHFFFAOYSA-N 2 2 284.359 3.251 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655708895 419073351 /nfs/dbraw/zinc/07/33/51/419073351.db2.gz OXUFMSBQLFXEBR-NXHRZFHOSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1CC(CC[N@@H+]2CCn3c[nH+]cc3C2)C[C@H](C)C1 ZINC000660579384 419165038 /nfs/dbraw/zinc/16/50/38/419165038.db2.gz WMSZHMHMFBPWST-ZIAGYGMSSA-N 2 2 261.413 3.161 20 0 CGADLP C[C@H]1CC(CC[N@H+]2CCn3c[nH+]cc3C2)C[C@H](C)C1 ZINC000660579384 419165040 /nfs/dbraw/zinc/16/50/40/419165040.db2.gz WMSZHMHMFBPWST-ZIAGYGMSSA-N 2 2 261.413 3.161 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000666079444 419187522 /nfs/dbraw/zinc/18/75/22/419187522.db2.gz UAXZVRMXVHBTBL-AWEZNQCLSA-N 2 2 289.810 3.074 20 0 CGADLP C[C@@H]1CCC(C)(C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190289 /nfs/dbraw/zinc/19/02/89/419190289.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC(C)(C)[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190290 /nfs/dbraw/zinc/19/02/90/419190290.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC(C)(C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190294 /nfs/dbraw/zinc/19/02/94/419190294.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CCC(C)(C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660755848 419190296 /nfs/dbraw/zinc/19/02/96/419190296.db2.gz UIIBNWDSRLYPHW-QLFBSQMISA-N 2 2 252.446 3.227 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657297670 419245455 /nfs/dbraw/zinc/24/54/55/419245455.db2.gz PXYAFOQJAQQMOZ-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCc3ccccc31)CCC2 ZINC000657299188 419245788 /nfs/dbraw/zinc/24/57/88/419245788.db2.gz SEFGGFONLPKVIH-HNNXBMFYSA-N 2 2 281.403 3.039 20 0 CGADLP CCCOCc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657314908 419248918 /nfs/dbraw/zinc/24/89/18/419248918.db2.gz GLBYGNDYRHJQNY-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP Cc1ccccc1CC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350994 419257897 /nfs/dbraw/zinc/25/78/97/419257897.db2.gz ISLUSQNXJWWPRA-UHFFFAOYSA-N 2 2 283.419 3.249 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1F ZINC000657368065 419261216 /nfs/dbraw/zinc/26/12/16/419261216.db2.gz MWDCWQUUHCIEMG-HNNXBMFYSA-N 2 2 291.345 3.348 20 0 CGADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000661486454 419263789 /nfs/dbraw/zinc/26/37/89/419263789.db2.gz VQWAXBZTJKOTGD-INIZCTEOSA-N 2 2 275.371 3.399 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000656676090 419197797 /nfs/dbraw/zinc/19/77/97/419197797.db2.gz MDXXHAKBPJBBSQ-HOCLYGCPSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000656676090 419197800 /nfs/dbraw/zinc/19/78/00/419197800.db2.gz MDXXHAKBPJBBSQ-HOCLYGCPSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675258 419197879 /nfs/dbraw/zinc/19/78/79/419197879.db2.gz BLFHEHYGGQNCQB-SWLSCSKDSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675258 419197881 /nfs/dbraw/zinc/19/78/81/419197881.db2.gz BLFHEHYGGQNCQB-SWLSCSKDSA-N 2 2 264.388 3.349 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)n1C ZINC000657386721 419267419 /nfs/dbraw/zinc/26/74/19/419267419.db2.gz KQVCMDBXWITLBP-YPMHNXCESA-N 2 2 289.345 3.187 20 0 CGADLP CCn1c[nH+]cc1CNc1[nH+]c2ccccc2n1C(C)C ZINC000656781461 419217280 /nfs/dbraw/zinc/21/72/80/419217280.db2.gz WNESKHWASAAICD-UHFFFAOYSA-N 2 2 283.379 3.446 20 0 CGADLP C[N@H+](Cc1ccccc1OCc1ccccc1)CC(C)(C)[NH3+] ZINC000656783020 419218818 /nfs/dbraw/zinc/21/88/18/419218818.db2.gz LVNBILYMXNZJLX-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP C[N@@H+](Cc1ccccc1OCc1ccccc1)CC(C)(C)[NH3+] ZINC000656783020 419218821 /nfs/dbraw/zinc/21/88/21/419218821.db2.gz LVNBILYMXNZJLX-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CCCC3)s2)CCCC1 ZINC000656788115 419220143 /nfs/dbraw/zinc/22/01/43/419220143.db2.gz CAGYDEBMSNOAPQ-UHFFFAOYSA-N 2 2 279.453 3.162 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000657285982 419242198 /nfs/dbraw/zinc/24/21/98/419242198.db2.gz KBVPJCCPOXAMDJ-RBSFLKMASA-N 2 2 294.464 3.042 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](CCF)C1 ZINC000661690381 419285884 /nfs/dbraw/zinc/28/58/84/419285884.db2.gz QBMUVBBZAWVGAU-HZPDHXFCSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](CCF)C1 ZINC000661690381 419285886 /nfs/dbraw/zinc/28/58/86/419285886.db2.gz QBMUVBBZAWVGAU-HZPDHXFCSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690381 419285888 /nfs/dbraw/zinc/28/58/88/419285888.db2.gz QBMUVBBZAWVGAU-HZPDHXFCSA-N 2 2 270.436 3.321 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](CCF)C1 ZINC000661690381 419285890 /nfs/dbraw/zinc/28/58/90/419285890.db2.gz QBMUVBBZAWVGAU-HZPDHXFCSA-N 2 2 270.436 3.321 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000657523984 419296750 /nfs/dbraw/zinc/29/67/50/419296750.db2.gz NASDAWIJGIDSQW-MRXNPFEDSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000657523984 419296752 /nfs/dbraw/zinc/29/67/52/419296752.db2.gz NASDAWIJGIDSQW-MRXNPFEDSA-N 2 2 260.425 3.266 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000657526892 419298450 /nfs/dbraw/zinc/29/84/50/419298450.db2.gz OUQBTMDPUHGPKP-NNTXTVRGSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000657526892 419298453 /nfs/dbraw/zinc/29/84/53/419298453.db2.gz OUQBTMDPUHGPKP-NNTXTVRGSA-N 2 2 294.389 3.440 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000657667316 419323911 /nfs/dbraw/zinc/32/39/11/419323911.db2.gz ZYUSXNMGMNAYHP-BMFZPTHFSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000657667316 419323912 /nfs/dbraw/zinc/32/39/12/419323912.db2.gz ZYUSXNMGMNAYHP-BMFZPTHFSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)c[nH+]c12 ZINC000657657710 419320482 /nfs/dbraw/zinc/32/04/82/419320482.db2.gz SZXNMGYPNPHWML-OFQRWUPVSA-N 2 2 269.392 3.169 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000657742164 419335323 /nfs/dbraw/zinc/33/53/23/419335323.db2.gz MZKFINJHHITUPH-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000657742164 419335326 /nfs/dbraw/zinc/33/53/26/419335326.db2.gz MZKFINJHHITUPH-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C(C)C)C3CC3)n2c1 ZINC000657757211 419337498 /nfs/dbraw/zinc/33/74/98/419337498.db2.gz OKLSMYQQZDAGOX-MRXNPFEDSA-N 2 2 257.381 3.167 20 0 CGADLP CC(C)(C)C(F)(F)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657793741 419356883 /nfs/dbraw/zinc/35/68/83/419356883.db2.gz ZRACMOPCQCNHCH-UHFFFAOYSA-N 2 2 294.349 3.038 20 0 CGADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+](C)Cc1ccccc1 ZINC000657877250 419398454 /nfs/dbraw/zinc/39/84/54/419398454.db2.gz AVBBHRJTNMBSAC-AWEZNQCLSA-N 2 2 296.405 3.184 20 0 CGADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+](C)Cc1ccccc1 ZINC000657877250 419398458 /nfs/dbraw/zinc/39/84/58/419398458.db2.gz AVBBHRJTNMBSAC-AWEZNQCLSA-N 2 2 296.405 3.184 20 0 CGADLP CCOC1CCC([NH2+]CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000657881353 419404600 /nfs/dbraw/zinc/40/46/00/419404600.db2.gz NAHOYYGIJRSTFL-AQFXKWCLSA-N 2 2 282.472 3.188 20 0 CGADLP CCOC1CCC([NH2+]CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000657881353 419404609 /nfs/dbraw/zinc/40/46/09/419404609.db2.gz NAHOYYGIJRSTFL-AQFXKWCLSA-N 2 2 282.472 3.188 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374740 419414526 /nfs/dbraw/zinc/41/45/26/419414526.db2.gz NEWJNHJSKJCDSB-HOCLYGCPSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374740 419414535 /nfs/dbraw/zinc/41/45/35/419414535.db2.gz NEWJNHJSKJCDSB-HOCLYGCPSA-N 2 2 261.413 3.007 20 0 CGADLP COc1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1Cl ZINC000662278188 419382650 /nfs/dbraw/zinc/38/26/50/419382650.db2.gz XPLRPUQCIBDYJG-CQSZACIVSA-N 2 2 296.842 3.346 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293896 419386141 /nfs/dbraw/zinc/38/61/41/419386141.db2.gz XHSSCLPHMYYQIC-VIFPVBQESA-N 2 2 258.768 3.209 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293896 419386144 /nfs/dbraw/zinc/38/61/44/419386144.db2.gz XHSSCLPHMYYQIC-VIFPVBQESA-N 2 2 258.768 3.209 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccncc2s1 ZINC000657983113 419478855 /nfs/dbraw/zinc/47/88/55/419478855.db2.gz ZPLXWLBXGQPCOO-WCQYABFASA-N 2 2 298.415 3.158 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C(C)(C)C(F)F ZINC000657994759 419486797 /nfs/dbraw/zinc/48/67/97/419486797.db2.gz WMMQQUWNKNICRL-LBPRGKRZSA-N 2 2 276.415 3.378 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C(C)(C)C(F)F ZINC000657994759 419486803 /nfs/dbraw/zinc/48/68/03/419486803.db2.gz WMMQQUWNKNICRL-LBPRGKRZSA-N 2 2 276.415 3.378 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000658054582 419524828 /nfs/dbraw/zinc/52/48/28/419524828.db2.gz FJPAIOKHJPDTBP-DGCLKSJQSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000658054582 419524834 /nfs/dbraw/zinc/52/48/34/419524834.db2.gz FJPAIOKHJPDTBP-DGCLKSJQSA-N 2 2 252.427 3.272 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658095027 419567554 /nfs/dbraw/zinc/56/75/54/419567554.db2.gz DIKGYIXAUPDNRA-YOEHRIQHSA-N 2 2 287.451 3.396 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000658054307 419525799 /nfs/dbraw/zinc/52/57/99/419525799.db2.gz DECLGLUSMRTDPL-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000658054307 419525806 /nfs/dbraw/zinc/52/58/06/419525806.db2.gz DECLGLUSMRTDPL-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658095027 419567560 /nfs/dbraw/zinc/56/75/60/419567560.db2.gz DIKGYIXAUPDNRA-YOEHRIQHSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000658058476 419527691 /nfs/dbraw/zinc/52/76/91/419527691.db2.gz DLVVSAUPFWZQEI-WMLDXEAASA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000658058476 419527701 /nfs/dbraw/zinc/52/77/01/419527701.db2.gz DLVVSAUPFWZQEI-WMLDXEAASA-N 2 2 287.451 3.396 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658060110 419533425 /nfs/dbraw/zinc/53/34/25/419533425.db2.gz JQQFXPKIVSJIHN-XIRDDKMYSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658060110 419533434 /nfs/dbraw/zinc/53/34/34/419533434.db2.gz JQQFXPKIVSJIHN-XIRDDKMYSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCC(C)(C)[NH+](C)C)[nH+]1 ZINC000663329504 419559778 /nfs/dbraw/zinc/55/97/78/419559778.db2.gz WFMISXVWRAAGGL-UHFFFAOYSA-N 2 2 275.318 3.161 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479404 419632678 /nfs/dbraw/zinc/63/26/78/419632678.db2.gz PLQTXWTZBXEXCU-ZYHUDNBSSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479404 419632685 /nfs/dbraw/zinc/63/26/85/419632685.db2.gz PLQTXWTZBXEXCU-ZYHUDNBSSA-N 2 2 278.362 3.037 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096431 419571713 /nfs/dbraw/zinc/57/17/13/419571713.db2.gz PIXGCKZEGVDALG-HUUCEWRRSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096431 419571727 /nfs/dbraw/zinc/57/17/27/419571727.db2.gz PIXGCKZEGVDALG-HUUCEWRRSA-N 2 2 282.472 3.187 20 0 CGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1[nH+]ccc2c(N)cccc21 ZINC000663666907 419671190 /nfs/dbraw/zinc/67/11/90/419671190.db2.gz AJZQUQXDGIOQIV-AWEZNQCLSA-N 2 2 298.434 3.128 20 0 CGADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1[nH+]ccc2c(N)cccc21 ZINC000663666907 419671195 /nfs/dbraw/zinc/67/11/95/419671195.db2.gz AJZQUQXDGIOQIV-AWEZNQCLSA-N 2 2 298.434 3.128 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1cccs1 ZINC000658241115 419697892 /nfs/dbraw/zinc/69/78/92/419697892.db2.gz KGXSZVQJWYQSLB-LSDHHAIUSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193511 419652432 /nfs/dbraw/zinc/65/24/32/419652432.db2.gz WDTRDHBJBYGILV-GDBMZVCRSA-N 2 2 293.430 3.020 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)F ZINC000658193511 419652440 /nfs/dbraw/zinc/65/24/40/419652440.db2.gz WDTRDHBJBYGILV-GDBMZVCRSA-N 2 2 293.430 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000658283331 419727740 /nfs/dbraw/zinc/72/77/40/419727740.db2.gz BYTZJMCFNGSLSL-SFHVURJKSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000658283331 419727748 /nfs/dbraw/zinc/72/77/48/419727748.db2.gz BYTZJMCFNGSLSL-SFHVURJKSA-N 2 2 272.436 3.008 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCC2([NH+](C)C)CCC2)[nH+]1 ZINC000663834899 419731498 /nfs/dbraw/zinc/73/14/98/419731498.db2.gz XWUSXNCGEAFOIZ-UHFFFAOYSA-N 2 2 287.329 3.305 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286563 419734847 /nfs/dbraw/zinc/73/48/47/419734847.db2.gz AULWSLLMKOWJMK-GXTWGEPZSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286563 419734854 /nfs/dbraw/zinc/73/48/54/419734854.db2.gz AULWSLLMKOWJMK-GXTWGEPZSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263743 419720192 /nfs/dbraw/zinc/72/01/92/419720192.db2.gz LVMCXOVPYORODH-PILAGYSTSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263743 419720199 /nfs/dbraw/zinc/72/01/99/419720199.db2.gz LVMCXOVPYORODH-PILAGYSTSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H](CCNc1[nH+]ccc2ccc(F)cc21)[NH+](C)C ZINC000664244601 419865175 /nfs/dbraw/zinc/86/51/75/419865175.db2.gz SAKNJWFCUCAHKM-NSHDSACASA-N 2 2 261.344 3.126 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCc1cccc(C)c1)C1CC1 ZINC000223061015 260262890 /nfs/dbraw/zinc/26/28/90/260262890.db2.gz LIYCRDVQEMZZDU-MRXNPFEDSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCc1cccc(C)c1)C1CC1 ZINC000223061015 260262891 /nfs/dbraw/zinc/26/28/91/260262891.db2.gz LIYCRDVQEMZZDU-MRXNPFEDSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1C ZINC000390574514 262221821 /nfs/dbraw/zinc/22/18/21/262221821.db2.gz CNULZMFURNWJLO-ATLSCFEFSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1C ZINC000390574514 262221823 /nfs/dbraw/zinc/22/18/23/262221823.db2.gz CNULZMFURNWJLO-ATLSCFEFSA-N 2 2 272.436 3.285 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189294700 264287786 /nfs/dbraw/zinc/28/77/86/264287786.db2.gz ABNRGZWAHOTICI-MRXNPFEDSA-N 2 2 297.446 3.437 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189294700 264287787 /nfs/dbraw/zinc/28/77/87/264287787.db2.gz ABNRGZWAHOTICI-MRXNPFEDSA-N 2 2 297.446 3.437 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)[nH+]c1 ZINC000324799526 270094688 /nfs/dbraw/zinc/09/46/88/270094688.db2.gz MQQYEYQRJQMCLJ-SFHVURJKSA-N 2 2 285.435 3.219 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)[nH+]c1 ZINC000324799525 270094782 /nfs/dbraw/zinc/09/47/82/270094782.db2.gz MQQYEYQRJQMCLJ-GOSISDBHSA-N 2 2 285.435 3.219 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000354175631 270095622 /nfs/dbraw/zinc/09/56/22/270095622.db2.gz FXORVZWQTJQWBL-MRXNPFEDSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000354175631 270095623 /nfs/dbraw/zinc/09/56/23/270095623.db2.gz FXORVZWQTJQWBL-MRXNPFEDSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000354175631 270095624 /nfs/dbraw/zinc/09/56/24/270095624.db2.gz FXORVZWQTJQWBL-MRXNPFEDSA-N 2 2 293.480 3.013 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000354175631 270095625 /nfs/dbraw/zinc/09/56/25/270095625.db2.gz FXORVZWQTJQWBL-MRXNPFEDSA-N 2 2 293.480 3.013 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000526085597 270122620 /nfs/dbraw/zinc/12/26/20/270122620.db2.gz CRCBHACVFAIGFS-AGIUHOORSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000526085597 270122621 /nfs/dbraw/zinc/12/26/21/270122621.db2.gz CRCBHACVFAIGFS-AGIUHOORSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000527750419 270134349 /nfs/dbraw/zinc/13/43/49/270134349.db2.gz LGSBKCCGWBYXNZ-CRAIPNDOSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000527750419 270134350 /nfs/dbraw/zinc/13/43/50/270134350.db2.gz LGSBKCCGWBYXNZ-CRAIPNDOSA-N 2 2 270.420 3.205 20 0 CGADLP c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527753959 270134580 /nfs/dbraw/zinc/13/45/80/270134580.db2.gz XPZUOEGXCDDTCK-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527753959 270134581 /nfs/dbraw/zinc/13/45/81/270134581.db2.gz XPZUOEGXCDDTCK-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP CC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527805912 270137352 /nfs/dbraw/zinc/13/73/52/270137352.db2.gz IXKQXQQXATUZTK-ZBCRRDGASA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527805912 270137353 /nfs/dbraw/zinc/13/73/53/270137353.db2.gz IXKQXQQXATUZTK-ZBCRRDGASA-N 2 2 250.430 3.172 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527811643 270138031 /nfs/dbraw/zinc/13/80/31/270138031.db2.gz YKGNDKOSMVBLHU-OTIVFRFGSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527811643 270138032 /nfs/dbraw/zinc/13/80/32/270138032.db2.gz YKGNDKOSMVBLHU-OTIVFRFGSA-N 2 2 270.420 3.306 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000527848915 270139531 /nfs/dbraw/zinc/13/95/31/270139531.db2.gz KLTDNQWZIZBMQD-CQSZACIVSA-N 2 2 277.412 3.014 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000527848915 270139532 /nfs/dbraw/zinc/13/95/32/270139532.db2.gz KLTDNQWZIZBMQD-CQSZACIVSA-N 2 2 277.412 3.014 20 0 CGADLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527907928 270143611 /nfs/dbraw/zinc/14/36/11/270143611.db2.gz CCKKXCURDFAABV-OAHLLOKOSA-N 2 2 283.419 3.403 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527907928 270143612 /nfs/dbraw/zinc/14/36/12/270143612.db2.gz CCKKXCURDFAABV-OAHLLOKOSA-N 2 2 283.419 3.403 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528007022 270150784 /nfs/dbraw/zinc/15/07/84/270150784.db2.gz AUUGIIDUWQMPTC-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528007022 270150785 /nfs/dbraw/zinc/15/07/85/270150785.db2.gz AUUGIIDUWQMPTC-ULQDDVLXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528007025 270150981 /nfs/dbraw/zinc/15/09/81/270150981.db2.gz AUUGIIDUWQMPTC-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528007025 270150982 /nfs/dbraw/zinc/15/09/82/270150982.db2.gz AUUGIIDUWQMPTC-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015914 270151464 /nfs/dbraw/zinc/15/14/64/270151464.db2.gz ZZNKWFXCZLQUBE-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015914 270151465 /nfs/dbraw/zinc/15/14/65/270151465.db2.gz ZZNKWFXCZLQUBE-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000529535509 270183277 /nfs/dbraw/zinc/18/32/77/270183277.db2.gz IQZUHKOYEJSLMY-GFCCVEGCSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(C)c1 ZINC000530215958 270195818 /nfs/dbraw/zinc/19/58/18/270195818.db2.gz LAGSKSICHLYYCK-CVEARBPZSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)c(F)c1 ZINC000530219482 270196364 /nfs/dbraw/zinc/19/63/64/270196364.db2.gz LUQCVRMJKRMFEN-ZANVPECISA-N 2 2 284.325 3.039 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530222803 270196642 /nfs/dbraw/zinc/19/66/42/270196642.db2.gz RVFFPVXTUREHEE-ZBFHGGJFSA-N 2 2 258.409 3.239 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226338 270196959 /nfs/dbraw/zinc/19/69/59/270196959.db2.gz ZXXBPJDSPGGQBV-HUUCEWRRSA-N 2 2 276.811 3.202 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000531735597 270209185 /nfs/dbraw/zinc/20/91/85/270209185.db2.gz GXAMKEDEAFQUFF-VYDXJSESSA-N 2 2 290.451 3.212 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000531735597 270209186 /nfs/dbraw/zinc/20/91/86/270209186.db2.gz GXAMKEDEAFQUFF-VYDXJSESSA-N 2 2 290.451 3.212 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950077 270211242 /nfs/dbraw/zinc/21/12/42/270211242.db2.gz PBIASDBFKYREGD-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950077 270211243 /nfs/dbraw/zinc/21/12/43/270211243.db2.gz PBIASDBFKYREGD-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000532618375 270217786 /nfs/dbraw/zinc/21/77/86/270217786.db2.gz LLEUXUIVGPGWKQ-ZDUSSCGKSA-N 2 2 263.429 3.324 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423306625 273615753 /nfs/dbraw/zinc/61/57/53/273615753.db2.gz FFFTWOGZLMAHRK-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP CO[C@@H](C)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000353777779 274055946 /nfs/dbraw/zinc/05/59/46/274055946.db2.gz XUJWCUDHOWBMKF-HNNXBMFYSA-N 2 2 287.407 3.118 20 0 CGADLP CO[C@@H](C)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000353777779 274055947 /nfs/dbraw/zinc/05/59/47/274055947.db2.gz XUJWCUDHOWBMKF-HNNXBMFYSA-N 2 2 287.407 3.118 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423358244 274307248 /nfs/dbraw/zinc/30/72/48/274307248.db2.gz JAWJKRMJZOHTCA-SWHYSGLUSA-N 2 2 296.867 3.465 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[N@@H+]1C ZINC000338169349 274393434 /nfs/dbraw/zinc/39/34/34/274393434.db2.gz LXWOOLMDSXWRBG-JRPNMDOOSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[N@H+]1C ZINC000338169349 274393438 /nfs/dbraw/zinc/39/34/38/274393438.db2.gz LXWOOLMDSXWRBG-JRPNMDOOSA-N 2 2 280.362 3.024 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000423245241 275749693 /nfs/dbraw/zinc/74/96/93/275749693.db2.gz OIULGYHJUCMARY-FHLIZLRMSA-N 2 2 290.451 3.215 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423311801 276017591 /nfs/dbraw/zinc/01/75/91/276017591.db2.gz QVLTZQPIQVXPLM-CYBMUJFWSA-N 2 2 284.856 3.466 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423316856 276017650 /nfs/dbraw/zinc/01/76/50/276017650.db2.gz YHWSAXISMXTXLG-WCQYABFASA-N 2 2 252.427 3.276 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417309086 276131513 /nfs/dbraw/zinc/13/15/13/276131513.db2.gz DHWNJEMLGCYLFC-AEGPPILISA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C1CC1 ZINC000417309086 276131516 /nfs/dbraw/zinc/13/15/16/276131516.db2.gz DHWNJEMLGCYLFC-AEGPPILISA-N 2 2 278.465 3.314 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427854580 276149128 /nfs/dbraw/zinc/14/91/28/276149128.db2.gz QRKLESKQYMIFEE-CJNGLKHVSA-N 2 2 281.403 3.210 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423551731 276152528 /nfs/dbraw/zinc/15/25/28/276152528.db2.gz JKFZBPUQWDPHEC-TZMCWYRMSA-N 2 2 262.397 3.025 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163206870 276174396 /nfs/dbraw/zinc/17/43/96/276174396.db2.gz UGRDVCQAICGWRP-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163206870 276174394 /nfs/dbraw/zinc/17/43/94/276174394.db2.gz UGRDVCQAICGWRP-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081624262 276373739 /nfs/dbraw/zinc/37/37/39/276373739.db2.gz ZUNDELNAFARTEO-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081624262 276373740 /nfs/dbraw/zinc/37/37/40/276373740.db2.gz ZUNDELNAFARTEO-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423476898 276433029 /nfs/dbraw/zinc/43/30/29/276433029.db2.gz SVLAGQWNLPKIJZ-SKDRFNHKSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278591813 287899673 /nfs/dbraw/zinc/89/96/73/287899673.db2.gz ZPTHSAWEPJQMPX-HUUCEWRRSA-N 2 2 292.492 3.459 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377403976 277340487 /nfs/dbraw/zinc/34/04/87/277340487.db2.gz UZYFYPLZLOKZJI-YMAMQOFZSA-N 2 2 275.440 3.319 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377403976 277340489 /nfs/dbraw/zinc/34/04/89/277340489.db2.gz UZYFYPLZLOKZJI-YMAMQOFZSA-N 2 2 275.440 3.319 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000353501248 277365073 /nfs/dbraw/zinc/36/50/73/277365073.db2.gz YRZSLSRNAHHSRJ-HOTGVXAUSA-N 2 2 264.413 3.441 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccoc1 ZINC000353501248 277365074 /nfs/dbraw/zinc/36/50/74/277365074.db2.gz YRZSLSRNAHHSRJ-HOTGVXAUSA-N 2 2 264.413 3.441 20 0 CGADLP CC(C)c1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000397411546 288023531 /nfs/dbraw/zinc/02/35/31/288023531.db2.gz OYBVQGPMBBXPTQ-AVGNSLFASA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000397411546 288023533 /nfs/dbraw/zinc/02/35/33/288023533.db2.gz OYBVQGPMBBXPTQ-AVGNSLFASA-N 2 2 281.469 3.072 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423372568 278271356 /nfs/dbraw/zinc/27/13/56/278271356.db2.gz RCYNMCCPHDHTGQ-MAZHCROVSA-N 2 2 294.389 3.189 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138522 278311268 /nfs/dbraw/zinc/31/12/68/278311268.db2.gz MXPXWVYHFJTAGR-SRABZTEZSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138522 278311270 /nfs/dbraw/zinc/31/12/70/278311270.db2.gz MXPXWVYHFJTAGR-SRABZTEZSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000398064760 288038058 /nfs/dbraw/zinc/03/80/58/288038058.db2.gz CVELDWLFYUEGGC-GUYCJALGSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccncc1 ZINC000453203013 288045128 /nfs/dbraw/zinc/04/51/28/288045128.db2.gz DSHFGAKRHYWBOA-IRXDYDNUSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000453203013 288045131 /nfs/dbraw/zinc/04/51/31/288045131.db2.gz DSHFGAKRHYWBOA-IRXDYDNUSA-N 2 2 273.424 3.139 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000459406944 288090346 /nfs/dbraw/zinc/09/03/46/288090346.db2.gz KUKUFEGRXSZKCD-IBSYWUHOSA-N 2 2 281.403 3.140 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000459406944 288090348 /nfs/dbraw/zinc/09/03/48/288090348.db2.gz KUKUFEGRXSZKCD-IBSYWUHOSA-N 2 2 281.403 3.140 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CCSC1 ZINC000459424271 288092092 /nfs/dbraw/zinc/09/20/92/288092092.db2.gz KEBGRVADKFYWFP-QGZVFWFLSA-N 2 2 290.476 3.091 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CC(C3CCCCC3)C2)s1 ZINC000459596256 288099751 /nfs/dbraw/zinc/09/97/51/288099751.db2.gz STKSRWQDBXLFKQ-UHFFFAOYSA-N 2 2 293.480 3.217 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423263551 279142273 /nfs/dbraw/zinc/14/22/73/279142273.db2.gz OTQMOJFRWYBHQV-OCCSQVGLSA-N 2 2 264.413 3.256 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434791460 279378908 /nfs/dbraw/zinc/37/89/08/279378908.db2.gz CXOARUIHVWSPDW-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434791460 279378910 /nfs/dbraw/zinc/37/89/10/279378910.db2.gz CXOARUIHVWSPDW-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218661 288133125 /nfs/dbraw/zinc/13/31/25/288133125.db2.gz YCBIBLOBCGWMGM-HGTKMLMNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218661 288133131 /nfs/dbraw/zinc/13/31/31/288133131.db2.gz YCBIBLOBCGWMGM-HGTKMLMNSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)cn1 ZINC000423187560 279463254 /nfs/dbraw/zinc/46/32/54/279463254.db2.gz YEQZFMAQYKPPNF-NSHDSACASA-N 2 2 267.804 3.047 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038818 288155374 /nfs/dbraw/zinc/15/53/74/288155374.db2.gz ZJQPBGXJXSQBQM-KNXALSJPSA-N 2 2 280.362 3.100 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038818 288155378 /nfs/dbraw/zinc/15/53/78/288155378.db2.gz ZJQPBGXJXSQBQM-KNXALSJPSA-N 2 2 280.362 3.100 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Cl)C1 ZINC000527681079 288187989 /nfs/dbraw/zinc/18/79/89/288187989.db2.gz LCQWKEPSZJSEMQ-CQSZACIVSA-N 2 2 295.858 3.193 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Cl)C1 ZINC000527681079 288187991 /nfs/dbraw/zinc/18/79/91/288187991.db2.gz LCQWKEPSZJSEMQ-CQSZACIVSA-N 2 2 295.858 3.193 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000166303495 280013079 /nfs/dbraw/zinc/01/30/79/280013079.db2.gz ZRYCSDUMGJYKAR-HNKHHVNMSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@H+]1C1CC1 ZINC000166303495 280013082 /nfs/dbraw/zinc/01/30/82/280013082.db2.gz ZRYCSDUMGJYKAR-HNKHHVNMSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CC12CC2 ZINC000527851726 288197423 /nfs/dbraw/zinc/19/74/23/288197423.db2.gz LTTAHLVUZNYADB-STQMWFEESA-N 2 2 269.392 3.274 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC12CC2 ZINC000527851902 288197435 /nfs/dbraw/zinc/19/74/35/288197435.db2.gz NLLMYEQYAXFJHW-JSGCOSHPSA-N 2 2 285.366 3.290 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000527852703 288198122 /nfs/dbraw/zinc/19/81/22/288198122.db2.gz OOEXFXMERIEQSE-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000527852703 288198126 /nfs/dbraw/zinc/19/81/26/288198126.db2.gz OOEXFXMERIEQSE-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000154861342 280112027 /nfs/dbraw/zinc/11/20/27/280112027.db2.gz QLUFWWOUACZBKH-PBHICJAKSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000173352309 280189572 /nfs/dbraw/zinc/18/95/72/280189572.db2.gz GDKVDIXAYBXBRM-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000173352309 280189573 /nfs/dbraw/zinc/18/95/73/280189573.db2.gz GDKVDIXAYBXBRM-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000427700235 280270230 /nfs/dbraw/zinc/27/02/30/280270230.db2.gz ZAJYMCXKIKYIGW-WDYCEAGBSA-N 2 2 286.463 3.469 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000427700235 280270231 /nfs/dbraw/zinc/27/02/31/280270231.db2.gz ZAJYMCXKIKYIGW-WDYCEAGBSA-N 2 2 286.463 3.469 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423371644 281001806 /nfs/dbraw/zinc/00/18/06/281001806.db2.gz AOWUKCXNRMUWFX-WBVHZDCISA-N 2 2 288.435 3.268 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427897470 281097666 /nfs/dbraw/zinc/09/76/66/281097666.db2.gz YBUOOZOCDPOPPC-RDJZCZTQSA-N 2 2 281.403 3.174 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)[C@@H](C)C2 ZINC000353621020 281126341 /nfs/dbraw/zinc/12/63/41/281126341.db2.gz KJVKOTUBGUHWDX-XAYKYTGQSA-N 2 2 281.403 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)[C@@H](C)C2 ZINC000353621020 281126343 /nfs/dbraw/zinc/12/63/43/281126343.db2.gz KJVKOTUBGUHWDX-XAYKYTGQSA-N 2 2 281.403 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102393 281126460 /nfs/dbraw/zinc/12/64/60/281126460.db2.gz OEFDCGHRJNNGCF-GOEBONIOSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102393 281126465 /nfs/dbraw/zinc/12/64/65/281126465.db2.gz OEFDCGHRJNNGCF-GOEBONIOSA-N 2 2 281.403 3.243 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177486 288294796 /nfs/dbraw/zinc/29/47/96/288294796.db2.gz JCZPWKKIFPMITM-QGZVFWFLSA-N 2 2 288.435 3.240 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179220 288295986 /nfs/dbraw/zinc/29/59/86/288295986.db2.gz QVBWCFFKDFOPSI-MRXNPFEDSA-N 2 2 270.376 3.115 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152745762 281270075 /nfs/dbraw/zinc/27/00/75/281270075.db2.gz YRFGMAJLWUNDDK-SFHVURJKSA-N 2 2 295.430 3.347 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377412754 281376661 /nfs/dbraw/zinc/37/66/61/281376661.db2.gz OLGOMEMPUMOCPX-NHYWBVRUSA-N 2 2 285.391 3.163 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377412754 281376663 /nfs/dbraw/zinc/37/66/63/281376663.db2.gz OLGOMEMPUMOCPX-NHYWBVRUSA-N 2 2 285.391 3.163 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[C@@]31C)CCC2 ZINC000337386056 281552211 /nfs/dbraw/zinc/55/22/11/281552211.db2.gz LGMVXLZDGJWVPF-HWMZRRJGSA-N 2 2 273.424 3.237 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000531564126 288339387 /nfs/dbraw/zinc/33/93/87/288339387.db2.gz VSAAZZOZJPTGPS-CYBMUJFWSA-N 2 2 274.433 3.333 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cc3ccccc3s2)C1 ZINC000531564126 288339388 /nfs/dbraw/zinc/33/93/88/288339388.db2.gz VSAAZZOZJPTGPS-CYBMUJFWSA-N 2 2 274.433 3.333 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000532195410 288354918 /nfs/dbraw/zinc/35/49/18/288354918.db2.gz QFJDELWKQQBLKQ-YJBOKZPZSA-N 2 2 298.430 3.383 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC000532195410 288354922 /nfs/dbraw/zinc/35/49/22/288354922.db2.gz QFJDELWKQQBLKQ-YJBOKZPZSA-N 2 2 298.430 3.383 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239584 288357318 /nfs/dbraw/zinc/35/73/18/288357318.db2.gz DYMYCGRRMUZLNZ-GOEBONIOSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239584 288357320 /nfs/dbraw/zinc/35/73/20/288357320.db2.gz DYMYCGRRMUZLNZ-GOEBONIOSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544041 288366550 /nfs/dbraw/zinc/36/65/50/288366550.db2.gz CNYNCZHLOGPTFG-BBRMVZONSA-N 2 2 294.870 3.448 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544041 288366552 /nfs/dbraw/zinc/36/65/52/288366552.db2.gz CNYNCZHLOGPTFG-BBRMVZONSA-N 2 2 294.870 3.448 20 0 CGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000533122895 288375211 /nfs/dbraw/zinc/37/52/11/288375211.db2.gz NKMXNOIYBJYMEN-OAHLLOKOSA-N 2 2 291.345 3.219 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cscn1 ZINC000536624848 288489480 /nfs/dbraw/zinc/48/94/80/288489480.db2.gz RLLRUTNQPMCKRW-MCIONIFRSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1cscn1)[NH+]1CCCCC1 ZINC000542487649 288754772 /nfs/dbraw/zinc/75/47/72/288754772.db2.gz LVWKMFAMLJWQNO-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000548653965 289014601 /nfs/dbraw/zinc/01/46/01/289014601.db2.gz NDHGEBXRGIOVAL-ZIAGYGMSSA-N 2 2 264.438 3.148 20 0 CGADLP C[C@H]1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@H](C)C1 ZINC000551230696 289103654 /nfs/dbraw/zinc/10/36/54/289103654.db2.gz BUEIAEKZKAAZDL-CHWSQXEVSA-N 2 2 261.413 3.134 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000551535337 289120645 /nfs/dbraw/zinc/12/06/45/289120645.db2.gz VUOZIZLUQQNMGF-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000551535337 289120648 /nfs/dbraw/zinc/12/06/48/289120648.db2.gz VUOZIZLUQQNMGF-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCC2 ZINC000337505373 289187630 /nfs/dbraw/zinc/18/76/30/289187630.db2.gz FFJQCCDNHQSYAS-SJORKVTESA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000553877050 289243355 /nfs/dbraw/zinc/24/33/55/289243355.db2.gz HVCZMJVNERBRHJ-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554348693 289273100 /nfs/dbraw/zinc/27/31/00/289273100.db2.gz DFRRUOIHDPPSEU-GJZGRUSLSA-N 2 2 252.446 3.133 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC000453056014 289288292 /nfs/dbraw/zinc/28/82/92/289288292.db2.gz KKOKDEFUGRLQTB-ZWKOTPCHSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235434 289334972 /nfs/dbraw/zinc/33/49/72/289334972.db2.gz HBYIZKVBIWENCJ-FZCLSBEQSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555235434 289334973 /nfs/dbraw/zinc/33/49/73/289334973.db2.gz HBYIZKVBIWENCJ-FZCLSBEQSA-N 2 2 272.436 3.110 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000556872628 289416282 /nfs/dbraw/zinc/41/62/82/289416282.db2.gz QPJYEBPGLNSOBE-QZTJIDSGSA-N 2 2 286.463 3.110 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562880030 289740343 /nfs/dbraw/zinc/74/03/43/289740343.db2.gz ITZCWANGUCQSPS-KGLIPLIRSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648708 290230358 /nfs/dbraw/zinc/23/03/58/290230358.db2.gz YBGGVVBDBGIYLR-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648708 290230361 /nfs/dbraw/zinc/23/03/61/290230361.db2.gz YBGGVVBDBGIYLR-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cs1 ZINC000036915397 293359894 /nfs/dbraw/zinc/35/98/94/293359894.db2.gz WVUJIQXEZRIPLP-CYBMUJFWSA-N 2 2 281.469 3.224 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000360701447 294333621 /nfs/dbraw/zinc/33/36/21/294333621.db2.gz GDGSRWMIRGHIFI-JZXOWHBKSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000343537342 297442464 /nfs/dbraw/zinc/44/24/64/297442464.db2.gz MOOCIHLKTAQFOH-COXVUDFISA-N 2 2 290.476 3.262 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CSC[C@H]1C)[NH+](C)C ZINC000449268558 302208953 /nfs/dbraw/zinc/20/89/53/302208953.db2.gz HSLBOZHVEQGYLP-OHFALNGGSA-N 2 2 292.492 3.327 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000354918528 302209135 /nfs/dbraw/zinc/20/91/35/302209135.db2.gz IOZMJOIQTJDVDZ-OVWQWFNUSA-N 2 2 290.451 3.001 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000285524969 302281878 /nfs/dbraw/zinc/28/18/78/302281878.db2.gz BJEJERQEMQLRFQ-AWEZNQCLSA-N 2 2 273.424 3.058 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cs1 ZINC000580307965 327777186 /nfs/dbraw/zinc/77/71/86/327777186.db2.gz LQRRAZLZWBFXAM-GFCCVEGCSA-N 2 2 275.421 3.302 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CC1)CCC2 ZINC000563134565 321979276 /nfs/dbraw/zinc/97/92/76/321979276.db2.gz GMTWLZTTYCEMBM-INIZCTEOSA-N 2 2 290.476 3.470 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)n1C ZINC000563438651 321997919 /nfs/dbraw/zinc/99/79/19/321997919.db2.gz GQLVOQXKMIVVAR-CQSZACIVSA-N 2 2 297.324 3.164 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000563486183 322000246 /nfs/dbraw/zinc/00/02/46/322000246.db2.gz WNVFEULTQDMYIY-HZSPNIEDSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000563486183 322000247 /nfs/dbraw/zinc/00/02/47/322000247.db2.gz WNVFEULTQDMYIY-HZSPNIEDSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1C ZINC000563728000 322008023 /nfs/dbraw/zinc/00/80/23/322008023.db2.gz AOWSVEWSTQCWAK-UHFFFAOYSA-N 2 2 275.783 3.161 20 0 CGADLP CCc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000564091873 322020288 /nfs/dbraw/zinc/02/02/88/322020288.db2.gz ZLZRYGSDOPIJLY-KRWDZBQOSA-N 2 2 283.419 3.421 20 0 CGADLP COc1ccc(C[NH2+]C2CC([NH+](C)C)C2)c2ccccc12 ZINC000564667506 322038571 /nfs/dbraw/zinc/03/85/71/322038571.db2.gz LLWXETBKRNXRAZ-UHFFFAOYSA-N 2 2 284.403 3.031 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000564969045 322051767 /nfs/dbraw/zinc/05/17/67/322051767.db2.gz PGTBMUARVXWGGQ-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000564969045 322051769 /nfs/dbraw/zinc/05/17/69/322051769.db2.gz PGTBMUARVXWGGQ-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000564969040 322051971 /nfs/dbraw/zinc/05/19/71/322051971.db2.gz PGTBMUARVXWGGQ-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000566049128 322101736 /nfs/dbraw/zinc/10/17/36/322101736.db2.gz JETUHMRJBCTBDI-UHFFFAOYSA-N 2 2 292.452 3.207 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccccc2C(C)C)n1C ZINC000567754142 322176400 /nfs/dbraw/zinc/17/64/00/322176400.db2.gz RWPAUWYCJYIMNY-UHFFFAOYSA-N 2 2 287.407 3.021 20 0 CGADLP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000567854050 322180138 /nfs/dbraw/zinc/18/01/38/322180138.db2.gz XSJLVTVKLQTNSR-WCQYABFASA-N 2 2 296.352 3.274 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCCC34CC4)[nH]c2c1 ZINC000568275206 322202788 /nfs/dbraw/zinc/20/27/88/322202788.db2.gz MVLWNFCYOVNWCF-HNNXBMFYSA-N 2 2 269.392 3.418 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568407800 322208048 /nfs/dbraw/zinc/20/80/48/322208048.db2.gz RUUPAMDKAPOITG-HOCLYGCPSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568407800 322208050 /nfs/dbraw/zinc/20/80/50/322208050.db2.gz RUUPAMDKAPOITG-HOCLYGCPSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]cc(CNc2ccc(C3CCC3)c[nH+]2)n1C ZINC000568664185 322218147 /nfs/dbraw/zinc/21/81/47/322218147.db2.gz MRXFEKRCDHGOEN-UHFFFAOYSA-N 2 2 256.353 3.003 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCc1c[nH+]cn1C ZINC000571533532 322301328 /nfs/dbraw/zinc/30/13/28/322301328.db2.gz TUQALCKHSKUDTQ-YCPHGPKFSA-N 2 2 261.413 3.006 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCc1c[nH+]cn1C ZINC000571533532 322301330 /nfs/dbraw/zinc/30/13/30/322301330.db2.gz TUQALCKHSKUDTQ-YCPHGPKFSA-N 2 2 261.413 3.006 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721272 322306024 /nfs/dbraw/zinc/30/60/24/322306024.db2.gz GMCYINBGKVPKMI-SJLPKXTDSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721272 322306026 /nfs/dbraw/zinc/30/60/26/322306026.db2.gz GMCYINBGKVPKMI-SJLPKXTDSA-N 2 2 290.451 3.458 20 0 CGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759358 322307006 /nfs/dbraw/zinc/30/70/06/322307006.db2.gz MPIDCSOBAQRCRN-KRWDZBQOSA-N 2 2 290.451 3.008 20 0 CGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759358 322307007 /nfs/dbraw/zinc/30/70/07/322307007.db2.gz MPIDCSOBAQRCRN-KRWDZBQOSA-N 2 2 290.451 3.008 20 0 CGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759358 322307008 /nfs/dbraw/zinc/30/70/08/322307008.db2.gz MPIDCSOBAQRCRN-KRWDZBQOSA-N 2 2 290.451 3.008 20 0 CGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000571759358 322307009 /nfs/dbraw/zinc/30/70/09/322307009.db2.gz MPIDCSOBAQRCRN-KRWDZBQOSA-N 2 2 290.451 3.008 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000572303845 322330737 /nfs/dbraw/zinc/33/07/37/322330737.db2.gz YZLPYTBFVJNQGA-YUTCNCBUSA-N 2 2 292.427 3.038 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)CCCC2 ZINC000572786640 322355487 /nfs/dbraw/zinc/35/54/87/322355487.db2.gz JRGCBTCOCJOYMT-HZPDHXFCSA-N 2 2 273.424 3.278 20 0 CGADLP COC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(F)cc1 ZINC000574635111 322450088 /nfs/dbraw/zinc/45/00/88/322450088.db2.gz ZVPJPVGREJULGT-KRWDZBQOSA-N 2 2 288.366 3.049 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000584199358 327063217 /nfs/dbraw/zinc/06/32/17/327063217.db2.gz CTMYUOBVWBIOLA-TZMCWYRMSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000584199358 327063218 /nfs/dbraw/zinc/06/32/18/327063218.db2.gz CTMYUOBVWBIOLA-TZMCWYRMSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000584199358 327063220 /nfs/dbraw/zinc/06/32/20/327063220.db2.gz CTMYUOBVWBIOLA-TZMCWYRMSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000584199358 327063221 /nfs/dbraw/zinc/06/32/21/327063221.db2.gz CTMYUOBVWBIOLA-TZMCWYRMSA-N 2 2 281.469 3.039 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccoc1 ZINC000178573527 327290789 /nfs/dbraw/zinc/29/07/89/327290789.db2.gz IOVGAJPTLYGINM-CQSZACIVSA-N 2 2 252.402 3.442 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000395172977 329278336 /nfs/dbraw/zinc/27/83/36/329278336.db2.gz IJXCOKWBHYHIPN-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)co2)cc1 ZINC000344258511 335242240 /nfs/dbraw/zinc/24/22/40/335242240.db2.gz IUNWHDAQUDIPNA-RHSMWYFYSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)co2)cc1 ZINC000344258511 335242241 /nfs/dbraw/zinc/24/22/41/335242241.db2.gz IUNWHDAQUDIPNA-RHSMWYFYSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)n1C ZINC000581440973 336078796 /nfs/dbraw/zinc/07/87/96/336078796.db2.gz XWKVKLOXIIYLAM-QGZVFWFLSA-N 2 2 287.382 3.417 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1noc2ccccc12 ZINC000581559414 336103141 /nfs/dbraw/zinc/10/31/41/336103141.db2.gz YTCZRXSCTNPIGF-UHFFFAOYSA-N 2 2 281.359 3.254 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385328454 336144457 /nfs/dbraw/zinc/14/44/57/336144457.db2.gz KADPCFHEJCAYQG-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385328454 336144459 /nfs/dbraw/zinc/14/44/59/336144459.db2.gz KADPCFHEJCAYQG-UHFFFAOYSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385950765 336163250 /nfs/dbraw/zinc/16/32/50/336163250.db2.gz CRKHRPWKYZVRHO-CFVMTHIKSA-N 2 2 276.449 3.344 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000582011096 336191315 /nfs/dbraw/zinc/19/13/15/336191315.db2.gz PVYNDOYMSNJMFR-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000582011096 336191316 /nfs/dbraw/zinc/19/13/16/336191316.db2.gz PVYNDOYMSNJMFR-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cccc12 ZINC000449131718 533840599 /nfs/dbraw/zinc/84/05/99/533840599.db2.gz PDWFMTOFFFFSDS-HNNXBMFYSA-N 2 2 296.414 3.175 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)cccc12 ZINC000449131718 533840603 /nfs/dbraw/zinc/84/06/03/533840603.db2.gz PDWFMTOFFFFSDS-HNNXBMFYSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089605903 533856813 /nfs/dbraw/zinc/85/68/13/533856813.db2.gz HNSNDOGCNIGNAO-CVEARBPZSA-N 2 2 287.451 3.466 20 0 CGADLP Cc1cc2cc(C[N@@H+](C)C3(C[NH3+])CCC3)oc2cc1C ZINC000414793388 534086196 /nfs/dbraw/zinc/08/61/96/534086196.db2.gz TZNHCDFZAUJXBV-UHFFFAOYSA-N 2 2 272.392 3.363 20 0 CGADLP Cc1cc2cc(C[N@H+](C)C3(C[NH3+])CCC3)oc2cc1C ZINC000414793388 534086201 /nfs/dbraw/zinc/08/62/01/534086201.db2.gz TZNHCDFZAUJXBV-UHFFFAOYSA-N 2 2 272.392 3.363 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000436287123 534200780 /nfs/dbraw/zinc/20/07/80/534200780.db2.gz SDXQOMISQKQRFE-GUYCJALGSA-N 2 2 290.476 3.023 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000436287123 534200783 /nfs/dbraw/zinc/20/07/83/534200783.db2.gz SDXQOMISQKQRFE-GUYCJALGSA-N 2 2 290.476 3.023 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000449221937 534229984 /nfs/dbraw/zinc/22/99/84/534229984.db2.gz UXLHGFHGZXUPBJ-IJEWVQPXSA-N 2 2 271.408 3.291 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423530039 534439132 /nfs/dbraw/zinc/43/91/32/534439132.db2.gz PARRHTCFBIBQNS-SLFFLAALSA-N 2 2 292.426 3.328 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)ccc1-n1cc[nH+]c1 ZINC000367173581 534443474 /nfs/dbraw/zinc/44/34/74/534443474.db2.gz QPZQYKCLSVSQQN-LZWOXQAQSA-N 2 2 285.366 3.290 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000157108019 519796235 /nfs/dbraw/zinc/79/62/35/519796235.db2.gz MMFXIMWIVDRUNF-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000157108019 519796236 /nfs/dbraw/zinc/79/62/36/519796236.db2.gz MMFXIMWIVDRUNF-AWEZNQCLSA-N 2 2 272.795 3.284 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc2c1 ZINC000423330337 534471768 /nfs/dbraw/zinc/47/17/68/534471768.db2.gz UENIAHVTSMTQHR-BXUZGUMPSA-N 2 2 258.365 3.129 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423425529 534504335 /nfs/dbraw/zinc/50/43/35/534504335.db2.gz MIJVPAXEPHNCHC-MOPGFXCFSA-N 2 2 296.389 3.290 20 0 CGADLP CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000087015351 521657497 /nfs/dbraw/zinc/65/74/97/521657497.db2.gz COFCEGLTWOCKQW-AWEZNQCLSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1cccc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000157792247 524564274 /nfs/dbraw/zinc/56/42/74/524564274.db2.gz BPEANJZGHUGXNH-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000157792247 524564280 /nfs/dbraw/zinc/56/42/80/524564280.db2.gz BPEANJZGHUGXNH-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156525104 525146311 /nfs/dbraw/zinc/14/63/11/525146311.db2.gz SSGJGEKVMYVTSZ-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156525104 525146317 /nfs/dbraw/zinc/14/63/17/525146317.db2.gz SSGJGEKVMYVTSZ-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccco1 ZINC000184496373 525458637 /nfs/dbraw/zinc/45/86/37/525458637.db2.gz VLGNGFZAXKFHFG-UONOGXRCSA-N 2 2 250.386 3.195 20 0 CGADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449130243 526418995 /nfs/dbraw/zinc/41/89/95/526418995.db2.gz GCEHHDQBAWPHQM-CSLYMUCUSA-N 2 2 292.467 3.083 20 0 CGADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449130243 526419002 /nfs/dbraw/zinc/41/90/02/526419002.db2.gz GCEHHDQBAWPHQM-CSLYMUCUSA-N 2 2 292.467 3.083 20 0 CGADLP c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]c1 ZINC000129687848 526480344 /nfs/dbraw/zinc/48/03/44/526480344.db2.gz KCURLCPOGIYKQQ-UHFFFAOYSA-N 2 2 273.424 3.174 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000111361226 526743761 /nfs/dbraw/zinc/74/37/61/526743761.db2.gz LPXJTQXHMOADBN-LLVKDONJSA-N 2 2 279.453 3.037 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc21 ZINC000157435263 527375088 /nfs/dbraw/zinc/37/50/88/527375088.db2.gz UWWVZIRYOVEUFB-HZPDHXFCSA-N 2 2 274.314 3.199 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H](C)C1 ZINC000364493150 527803952 /nfs/dbraw/zinc/80/39/52/527803952.db2.gz MPWPILOAMZNGBO-GOEBONIOSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H](C)C1 ZINC000364493150 527803958 /nfs/dbraw/zinc/80/39/58/527803958.db2.gz MPWPILOAMZNGBO-GOEBONIOSA-N 2 2 299.418 3.162 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)s1 ZINC000449176529 528180692 /nfs/dbraw/zinc/18/06/92/528180692.db2.gz NBDQSCNOMKDWSZ-CABCVRRESA-N 2 2 295.496 3.442 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423268614 528313120 /nfs/dbraw/zinc/31/31/20/528313120.db2.gz UWFVWAJKFGFOGJ-HIFRSBDPSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000358151823 528314935 /nfs/dbraw/zinc/31/49/35/528314935.db2.gz GUJQUYUSCZGNFV-AVGNSLFASA-N 2 2 281.469 3.400 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000358151823 528314940 /nfs/dbraw/zinc/31/49/40/528314940.db2.gz GUJQUYUSCZGNFV-AVGNSLFASA-N 2 2 281.469 3.400 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423390379 528421603 /nfs/dbraw/zinc/42/16/03/528421603.db2.gz VWCNNNKLEZPFIG-GHMZBOCLSA-N 2 2 285.229 3.098 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423381686 528421940 /nfs/dbraw/zinc/42/19/40/528421940.db2.gz NWOQYERQDOWKRY-KGLIPLIRSA-N 2 2 264.413 3.122 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000423307928 528516417 /nfs/dbraw/zinc/51/64/17/528516417.db2.gz ICTAAUSVGYZNEH-SNVBAGLBSA-N 2 2 260.834 3.442 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423305705 528518014 /nfs/dbraw/zinc/51/80/14/528518014.db2.gz CIGKZQNYGSBXKG-KRWDZBQOSA-N 2 2 285.435 3.443 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423181667 528690227 /nfs/dbraw/zinc/69/02/27/528690227.db2.gz GJDNUOQSKQXJHK-GOEBONIOSA-N 2 2 276.424 3.268 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc21 ZINC000423244439 528698760 /nfs/dbraw/zinc/69/87/60/528698760.db2.gz XMGIBKLBKMPVEV-TZMCWYRMSA-N 2 2 288.391 3.234 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000178651911 528720773 /nfs/dbraw/zinc/72/07/73/528720773.db2.gz QWKIRTYZIQAKQK-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000178651911 528720778 /nfs/dbraw/zinc/72/07/78/528720778.db2.gz QWKIRTYZIQAKQK-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1OCCC ZINC000423380910 528724901 /nfs/dbraw/zinc/72/49/01/528724901.db2.gz ZDROQERMFVJKNL-KBPBESRZSA-N 2 2 294.439 3.262 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423301636 528820522 /nfs/dbraw/zinc/82/05/22/528820522.db2.gz UGAGAUUETKIHCO-HZMBPMFUSA-N 2 2 256.340 3.133 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423293570 528822067 /nfs/dbraw/zinc/82/20/67/528822067.db2.gz AFBRIIHKOASFPK-GJZGRUSLSA-N 2 2 286.423 3.040 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423304545 528955435 /nfs/dbraw/zinc/95/54/35/528955435.db2.gz YYMCEYQBHYTAGP-GXTWGEPZSA-N 2 2 280.460 3.115 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423296862 528955850 /nfs/dbraw/zinc/95/58/50/528955850.db2.gz HUNGXGDJMKHXTB-DZGCQCFKSA-N 2 2 271.408 3.403 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423301689 528955967 /nfs/dbraw/zinc/95/59/67/528955967.db2.gz UNOBDTKIYHNMKU-ZBFHGGJFSA-N 2 2 263.429 3.276 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427893550 528988720 /nfs/dbraw/zinc/98/87/20/528988720.db2.gz PHZRRWCKEUQCSN-ROUUACIJSA-N 2 2 297.446 3.445 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337002 529019974 /nfs/dbraw/zinc/01/99/74/529019974.db2.gz HYOXCCICOAANCR-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337002 529019980 /nfs/dbraw/zinc/01/99/80/529019980.db2.gz HYOXCCICOAANCR-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000427604866 529092306 /nfs/dbraw/zinc/09/23/06/529092306.db2.gz SXZHVROCVXHHCA-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(C)C)C1 ZINC000427604866 529092312 /nfs/dbraw/zinc/09/23/12/529092312.db2.gz SXZHVROCVXHHCA-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCO1 ZINC000449166106 529321201 /nfs/dbraw/zinc/32/12/01/529321201.db2.gz BUGUSOCADCITTR-YJBOKZPZSA-N 2 2 299.418 3.228 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC1 ZINC000125264835 535458978 /nfs/dbraw/zinc/45/89/78/535458978.db2.gz GKDOLEMGTXDZCS-UHFFFAOYSA-N 2 2 295.496 3.357 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC1 ZINC000125264835 535458983 /nfs/dbraw/zinc/45/89/83/535458983.db2.gz GKDOLEMGTXDZCS-UHFFFAOYSA-N 2 2 295.496 3.357 20 0 CGADLP Cc1ccc(C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c[nH+]1 ZINC000340801094 571857584 /nfs/dbraw/zinc/85/75/84/571857584.db2.gz QJYXHQNWFKJCFU-UHFFFAOYSA-N 2 2 282.391 3.181 20 0 CGADLP Cc1ccc(C)c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000731451335 572413294 /nfs/dbraw/zinc/41/32/94/572413294.db2.gz OXOFAKVRTNIAKT-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP Cc1ncc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742393652 572575764 /nfs/dbraw/zinc/57/57/64/572575764.db2.gz ZJXSBXZRERBEKB-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CSCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000076771902 617968852 /nfs/dbraw/zinc/96/88/52/617968852.db2.gz YSDOUGNSBQJLHM-CYBMUJFWSA-N 2 2 275.421 3.104 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000093465048 618200713 /nfs/dbraw/zinc/20/07/13/618200713.db2.gz ZFXOSXNRDWPNCQ-WOPDTQHZSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724923 618265334 /nfs/dbraw/zinc/26/53/34/618265334.db2.gz LGIHMTYFKMRCAP-ZFWWWQNUSA-N 2 2 297.402 3.113 20 0 CGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724923 618265342 /nfs/dbraw/zinc/26/53/42/618265342.db2.gz LGIHMTYFKMRCAP-ZFWWWQNUSA-N 2 2 297.402 3.113 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]1 ZINC000926368020 618569033 /nfs/dbraw/zinc/56/90/33/618569033.db2.gz PVKBUPNRKDRYMB-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]1 ZINC000926368020 618569046 /nfs/dbraw/zinc/56/90/46/618569046.db2.gz PVKBUPNRKDRYMB-OALUTQOASA-N 2 2 297.446 3.317 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1coc2ccccc12 ZINC000926451380 618687633 /nfs/dbraw/zinc/68/76/33/618687633.db2.gz ZDPFRAYXMFTJIE-NWDGAFQWSA-N 2 2 281.359 3.364 20 0 CGADLP Fc1ccccc1C1([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000162383535 618749884 /nfs/dbraw/zinc/74/98/84/618749884.db2.gz ZDFHGNXGTLJDEA-UHFFFAOYSA-N 2 2 276.399 3.280 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000892448914 618788151 /nfs/dbraw/zinc/78/81/51/618788151.db2.gz GTHLHCZQDFIZTH-CQSZACIVSA-N 2 2 280.412 3.032 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)o1 ZINC000892448914 618788152 /nfs/dbraw/zinc/78/81/52/618788152.db2.gz GTHLHCZQDFIZTH-CQSZACIVSA-N 2 2 280.412 3.032 20 0 CGADLP Cc1nc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)sc1C ZINC000892651472 618887000 /nfs/dbraw/zinc/88/70/00/618887000.db2.gz YPNMQQBWVFDFDC-ZDUSSCGKSA-N 2 2 292.452 3.161 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926863589 618953449 /nfs/dbraw/zinc/95/34/49/618953449.db2.gz DLEOJNVAGUDERG-QWRGUYRKSA-N 2 2 256.340 3.052 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523897 619018214 /nfs/dbraw/zinc/01/82/14/619018214.db2.gz OSFHQGIVZFJSNR-YJBOKZPZSA-N 2 2 284.403 3.134 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000216375062 619232154 /nfs/dbraw/zinc/23/21/54/619232154.db2.gz FTWDVZCLOIYOPL-OAGGEKHMSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1Cl ZINC000925778774 619240758 /nfs/dbraw/zinc/24/07/58/619240758.db2.gz KWPSNCGOZWGIPD-WDEREUQCSA-N 2 2 288.769 3.235 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000261540902 619288474 /nfs/dbraw/zinc/28/84/74/619288474.db2.gz ANUVRMJRTPFNKE-MJVIPROJSA-N 2 2 297.240 3.098 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000893994134 619345376 /nfs/dbraw/zinc/34/53/76/619345376.db2.gz IOOLDAXKDFAOFD-LBPRGKRZSA-N 2 2 277.393 3.035 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000893994134 619345379 /nfs/dbraw/zinc/34/53/79/619345379.db2.gz IOOLDAXKDFAOFD-LBPRGKRZSA-N 2 2 277.393 3.035 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895377225 619816035 /nfs/dbraw/zinc/81/60/35/619816035.db2.gz LHTDVOZZHVTWIL-OCCSQVGLSA-N 2 2 281.469 3.004 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895377225 619816038 /nfs/dbraw/zinc/81/60/38/619816038.db2.gz LHTDVOZZHVTWIL-OCCSQVGLSA-N 2 2 281.469 3.004 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035010280 620222709 /nfs/dbraw/zinc/22/27/09/620222709.db2.gz WDYDZTJSJHUYBI-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000145128490 620227599 /nfs/dbraw/zinc/22/75/99/620227599.db2.gz SFPXMHUGDYOBOD-UHFFFAOYSA-N 2 2 254.377 3.103 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000925270592 620330252 /nfs/dbraw/zinc/33/02/52/620330252.db2.gz ABNVGMLWDALYOU-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000925270592 620330254 /nfs/dbraw/zinc/33/02/54/620330254.db2.gz ABNVGMLWDALYOU-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)c2)c[nH+]1 ZINC000897955058 620455478 /nfs/dbraw/zinc/45/54/78/620455478.db2.gz OOKUOOABOVQLSG-NILFDRSVSA-N 2 2 273.405 3.212 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000898034222 620470956 /nfs/dbraw/zinc/47/09/56/620470956.db2.gz KMFSLNGMADMXTR-OLZOCXBDSA-N 2 2 292.389 3.429 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000898034222 620470959 /nfs/dbraw/zinc/47/09/59/620470959.db2.gz KMFSLNGMADMXTR-OLZOCXBDSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109828 620577620 /nfs/dbraw/zinc/57/76/20/620577620.db2.gz NWMCIQKEEGAFKD-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109828 620577622 /nfs/dbraw/zinc/57/76/22/620577622.db2.gz NWMCIQKEEGAFKD-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP Fc1ccc(CC[NH+]2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC000898434061 620586927 /nfs/dbraw/zinc/58/69/27/620586927.db2.gz SBCJGZKOIUIHSE-XLUWADSXSA-N 2 2 296.817 3.175 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CCC2)cc1 ZINC000902466281 621338474 /nfs/dbraw/zinc/33/84/74/621338474.db2.gz MGOIRDCZTNXSDB-XMTFNYHQSA-N 2 2 270.420 3.319 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470724 621341428 /nfs/dbraw/zinc/34/14/28/621341428.db2.gz GDSCPCMQIZAXTQ-XHXGSEDSSA-N 2 2 256.393 3.026 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902471495 621341435 /nfs/dbraw/zinc/34/14/35/621341435.db2.gz PJGVNTNSRRYHMN-REWJHTLYSA-N 2 2 264.438 3.318 20 0 CGADLP CCOCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902756367 621426475 /nfs/dbraw/zinc/42/64/75/621426475.db2.gz XNUXTPQQQZNLCP-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902809236 621441582 /nfs/dbraw/zinc/44/15/82/621441582.db2.gz QPYNMSIAGJFYCV-OLZOCXBDSA-N 2 2 275.421 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H](CCc1cccnc1)c1ccccc1)[NH+](C)C ZINC000902794282 621449941 /nfs/dbraw/zinc/44/99/41/621449941.db2.gz UYHCTRVBSFFSPB-APWZRJJASA-N 2 2 297.446 3.295 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CCC1 ZINC000902962843 621507334 /nfs/dbraw/zinc/50/73/34/621507334.db2.gz AKOWJWIPEGDXQG-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018866 621520781 /nfs/dbraw/zinc/52/07/81/621520781.db2.gz HJXUZBAQTKZSML-PNBKFKSVSA-N 2 2 299.418 3.336 20 0 CGADLP CO[C@@](C)(C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902997783 621522988 /nfs/dbraw/zinc/52/29/88/621522988.db2.gz ZZRLDGKEOVSGBE-KDOFPFPSSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006150 621528556 /nfs/dbraw/zinc/52/85/56/621528556.db2.gz FFUQWMRGFZKBEI-KGLIPLIRSA-N 2 2 287.407 3.072 20 0 CGADLP CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000903012977 621534474 /nfs/dbraw/zinc/53/44/74/621534474.db2.gz WIWKEFLYHPHAAP-DEYYWGMASA-N 2 2 299.418 3.336 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)CC1(C)C ZINC000903267112 621653572 /nfs/dbraw/zinc/65/35/72/621653572.db2.gz IIWXXIQUZBKFGO-ZDUSSCGKSA-N 2 2 259.397 3.244 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)CC1(C)C ZINC000903267112 621653577 /nfs/dbraw/zinc/65/35/77/621653577.db2.gz IIWXXIQUZBKFGO-ZDUSSCGKSA-N 2 2 259.397 3.244 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2CCC[C@@H]21 ZINC000903268957 621655983 /nfs/dbraw/zinc/65/59/83/621655983.db2.gz OGRMGJANZBHQAJ-KBMXLJTQSA-N 2 2 271.408 3.244 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H]2CCC[C@@H]21 ZINC000903268957 621655987 /nfs/dbraw/zinc/65/59/87/621655987.db2.gz OGRMGJANZBHQAJ-KBMXLJTQSA-N 2 2 271.408 3.244 20 0 CGADLP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903476218 621764397 /nfs/dbraw/zinc/76/43/97/621764397.db2.gz QPKODEBDLKEYCO-HIFRSBDPSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903476218 621764402 /nfs/dbraw/zinc/76/44/02/621764402.db2.gz QPKODEBDLKEYCO-HIFRSBDPSA-N 2 2 276.399 3.146 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC000903849846 621820497 /nfs/dbraw/zinc/82/04/97/621820497.db2.gz IDVKBOQQIUHOJV-DCAQKATOSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC000903849846 621820499 /nfs/dbraw/zinc/82/04/99/621820499.db2.gz IDVKBOQQIUHOJV-DCAQKATOSA-N 2 2 285.218 3.305 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903908336 621831847 /nfs/dbraw/zinc/83/18/47/621831847.db2.gz HBDFAKQPWIURMJ-WHOFXGATSA-N 2 2 298.377 3.061 20 0 CGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903908336 621831849 /nfs/dbraw/zinc/83/18/49/621831849.db2.gz HBDFAKQPWIURMJ-WHOFXGATSA-N 2 2 298.377 3.061 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000903910383 621832152 /nfs/dbraw/zinc/83/21/52/621832152.db2.gz MCTZPZDWLWFYAK-CYBMUJFWSA-N 2 2 274.399 3.405 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000903910383 621832153 /nfs/dbraw/zinc/83/21/53/621832153.db2.gz MCTZPZDWLWFYAK-CYBMUJFWSA-N 2 2 274.399 3.405 20 0 CGADLP C[C@@H](C[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331207 621909008 /nfs/dbraw/zinc/90/90/08/621909008.db2.gz FYGDQEINJLSIFY-QWHCGFSZSA-N 2 2 283.485 3.332 20 0 CGADLP C[C@@H](C[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331207 621909012 /nfs/dbraw/zinc/90/90/12/621909012.db2.gz FYGDQEINJLSIFY-QWHCGFSZSA-N 2 2 283.485 3.332 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000904471571 621925673 /nfs/dbraw/zinc/92/56/73/621925673.db2.gz JCCPITXZHXBGDJ-XJKSGUPXSA-N 2 2 284.403 3.251 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccns2)CC1 ZINC000924845485 622643098 /nfs/dbraw/zinc/64/30/98/622643098.db2.gz GJVLUWVCULTRSJ-GFCCVEGCSA-N 2 2 267.442 3.058 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000156567741 622826400 /nfs/dbraw/zinc/82/64/00/622826400.db2.gz DHRHYPQOZKKRKF-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000156567741 622826402 /nfs/dbraw/zinc/82/64/02/622826402.db2.gz DHRHYPQOZKKRKF-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000753660836 623472975 /nfs/dbraw/zinc/47/29/75/623472975.db2.gz AFKOCPDWCPFOEY-HOTGVXAUSA-N 2 2 290.451 3.447 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1C ZINC000753660836 623472977 /nfs/dbraw/zinc/47/29/77/623472977.db2.gz AFKOCPDWCPFOEY-HOTGVXAUSA-N 2 2 290.451 3.447 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000753674791 623479042 /nfs/dbraw/zinc/47/90/42/623479042.db2.gz PXGPRLKVQDBYIT-CZUORRHYSA-N 2 2 290.451 3.304 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000753674791 623479055 /nfs/dbraw/zinc/47/90/55/623479055.db2.gz PXGPRLKVQDBYIT-CZUORRHYSA-N 2 2 290.451 3.304 20 0 CGADLP CSCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000921608530 625696449 /nfs/dbraw/zinc/69/64/49/625696449.db2.gz IBORIGURXBKPHA-AWEZNQCLSA-N 2 2 289.448 3.172 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000929991356 624300881 /nfs/dbraw/zinc/30/08/81/624300881.db2.gz GAIDYLQRNHPYFC-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000929991356 624300882 /nfs/dbraw/zinc/30/08/82/624300882.db2.gz GAIDYLQRNHPYFC-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000921689968 625841127 /nfs/dbraw/zinc/84/11/27/625841127.db2.gz WZQCOVMNZPUUBS-CQSZACIVSA-N 2 2 295.858 3.253 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000921689968 625841131 /nfs/dbraw/zinc/84/11/31/625841131.db2.gz WZQCOVMNZPUUBS-CQSZACIVSA-N 2 2 295.858 3.253 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000925360654 626022359 /nfs/dbraw/zinc/02/23/59/626022359.db2.gz XOUUDOMKTOYJFD-KRWDZBQOSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519437 626160577 /nfs/dbraw/zinc/16/05/77/626160577.db2.gz QRBCPVHVPOWTJD-WCFLWFBJSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519437 626160580 /nfs/dbraw/zinc/16/05/80/626160580.db2.gz QRBCPVHVPOWTJD-WCFLWFBJSA-N 2 2 282.790 3.081 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000754121147 626558504 /nfs/dbraw/zinc/55/85/04/626558504.db2.gz JYBNFHMNGXRURV-ILXRZTDVSA-N 2 2 295.496 3.418 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000761431571 627040956 /nfs/dbraw/zinc/04/09/56/627040956.db2.gz GJNUGSUCCZZISM-FZMZJTMJSA-N 2 2 292.452 3.414 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763397041 627155900 /nfs/dbraw/zinc/15/59/00/627155900.db2.gz KRPFDXIGHVCDGS-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000763397041 627155901 /nfs/dbraw/zinc/15/59/01/627155901.db2.gz KRPFDXIGHVCDGS-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC000764766670 627222273 /nfs/dbraw/zinc/22/22/73/627222273.db2.gz DYWAYNAIWIWICL-CQSZACIVSA-N 2 2 272.502 3.372 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000766267810 627307708 /nfs/dbraw/zinc/30/77/08/627307708.db2.gz IXIJSXRXUVDMJK-RHSMWYFYSA-N 2 2 272.436 3.483 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000766267810 627307711 /nfs/dbraw/zinc/30/77/11/627307711.db2.gz IXIJSXRXUVDMJK-RHSMWYFYSA-N 2 2 272.436 3.483 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1 ZINC000766267072 627307865 /nfs/dbraw/zinc/30/78/65/627307865.db2.gz DORAYDBQJWFMMO-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1 ZINC000766267072 627307870 /nfs/dbraw/zinc/30/78/70/627307870.db2.gz DORAYDBQJWFMMO-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000766437491 627331462 /nfs/dbraw/zinc/33/14/62/627331462.db2.gz CROLYZJYDUFORX-IAGOWNOFSA-N 2 2 290.476 3.009 20 0 CGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)o1 ZINC000767350643 627400408 /nfs/dbraw/zinc/40/04/08/627400408.db2.gz MWKQGSVLDGLHJJ-OAHLLOKOSA-N 2 2 275.396 3.297 20 0 CGADLP Cc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000775932100 628150440 /nfs/dbraw/zinc/15/04/40/628150440.db2.gz KUVIDWBBDWHCRR-UHFFFAOYSA-N 2 2 281.403 3.371 20 0 CGADLP Cc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000775932100 628150444 /nfs/dbraw/zinc/15/04/44/628150444.db2.gz KUVIDWBBDWHCRR-UHFFFAOYSA-N 2 2 281.403 3.371 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CC3)cc2)CC1 ZINC000776806272 628233872 /nfs/dbraw/zinc/23/38/72/628233872.db2.gz RMIKYEQUABGLOM-AWEZNQCLSA-N 2 2 273.424 3.039 20 0 CGADLP FCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000777597794 628287280 /nfs/dbraw/zinc/28/72/80/628287280.db2.gz GVNRJQISLHJCLU-UHFFFAOYSA-N 2 2 273.355 3.259 20 0 CGADLP FCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000777616728 628289192 /nfs/dbraw/zinc/28/91/92/628289192.db2.gz DWLLZYPCWMTHJT-OAHLLOKOSA-N 2 2 273.355 3.259 20 0 CGADLP FCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000777616728 628289196 /nfs/dbraw/zinc/28/91/96/628289196.db2.gz DWLLZYPCWMTHJT-OAHLLOKOSA-N 2 2 273.355 3.259 20 0 CGADLP CC(C)(C)OC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000779029606 628384069 /nfs/dbraw/zinc/38/40/69/628384069.db2.gz QJYLHWYGYDAFMI-UHFFFAOYSA-N 2 2 299.418 3.308 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000782530297 628652764 /nfs/dbraw/zinc/65/27/64/628652764.db2.gz WSUXIAJNWOYKNJ-MCIONIFRSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000782530297 628652766 /nfs/dbraw/zinc/65/27/66/628652766.db2.gz WSUXIAJNWOYKNJ-MCIONIFRSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279654 628697884 /nfs/dbraw/zinc/69/78/84/628697884.db2.gz ZUEGUNCVRHZQOR-KBXCAEBGSA-N 2 2 287.451 3.427 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC(F)(F)C1 ZINC000862273298 629335046 /nfs/dbraw/zinc/33/50/46/629335046.db2.gz WUYZGWHGYJDNLG-DGCLKSJQSA-N 2 2 285.382 3.321 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnc(Cl)c1 ZINC000794837509 629585825 /nfs/dbraw/zinc/58/58/25/629585825.db2.gz SLGRYFYTEIQVDB-LRVUVFPRSA-N 2 2 293.842 3.403 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863541657 629602356 /nfs/dbraw/zinc/60/23/56/629602356.db2.gz LHAVNYVVOKIXGH-SWLSCSKDSA-N 2 2 262.372 3.069 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000863545881 629602837 /nfs/dbraw/zinc/60/28/37/629602837.db2.gz IMKJPLKWQCIYNN-OBJOEFQTSA-N 2 2 296.842 3.448 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc2c(c1)CCCO2 ZINC000863543612 629603729 /nfs/dbraw/zinc/60/37/29/629603729.db2.gz SLDCUVKVVPWQBV-IXDOHACOSA-N 2 2 288.435 3.193 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000796315748 629762908 /nfs/dbraw/zinc/76/29/08/629762908.db2.gz MEIPQUFGXZAYOF-NDRDAGNVSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000796315748 629762911 /nfs/dbraw/zinc/76/29/11/629762911.db2.gz MEIPQUFGXZAYOF-NDRDAGNVSA-N 2 2 280.362 3.052 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000796701116 629816732 /nfs/dbraw/zinc/81/67/32/629816732.db2.gz GOLCLOYAZBKDKR-ZNMIVQPWSA-N 2 2 263.429 3.322 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000797905942 630000496 /nfs/dbraw/zinc/00/04/96/630000496.db2.gz RWAVOECPEFRVSN-IAGOWNOFSA-N 2 2 267.376 3.151 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000799719182 630223609 /nfs/dbraw/zinc/22/36/09/630223609.db2.gz VGWHKWYJBKDWPO-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000799719182 630223614 /nfs/dbraw/zinc/22/36/14/630223614.db2.gz VGWHKWYJBKDWPO-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)nc(Cl)c1 ZINC000809750412 630799478 /nfs/dbraw/zinc/79/94/78/630799478.db2.gz VANIIWRPACCTLH-UHFFFAOYSA-N 2 2 295.858 3.351 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)nc(Cl)c1 ZINC000809750412 630799483 /nfs/dbraw/zinc/79/94/83/630799483.db2.gz VANIIWRPACCTLH-UHFFFAOYSA-N 2 2 295.858 3.351 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)CC(C)C)CC1 ZINC000879210123 635726605 /nfs/dbraw/zinc/72/66/05/635726605.db2.gz SSTQDWWYOQLKKP-UHFFFAOYSA-N 2 2 294.483 3.332 20 0 CGADLP CCN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817902018 632231434 /nfs/dbraw/zinc/23/14/34/632231434.db2.gz GRSOKLOSZSOLBV-ZWKOTPCHSA-N 2 2 295.430 3.377 20 0 CGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC000817923920 632234694 /nfs/dbraw/zinc/23/46/94/632234694.db2.gz CVHSEQCBQHUAMX-BZUAXINKSA-N 2 2 290.455 3.091 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817954687 632249427 /nfs/dbraw/zinc/24/94/27/632249427.db2.gz HDHFREXSFZSYOC-GXTWGEPZSA-N 2 2 266.454 3.196 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720259 633236006 /nfs/dbraw/zinc/23/60/06/633236006.db2.gz IUUFTLOQQJAYPT-ZWKOTPCHSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720259 633236011 /nfs/dbraw/zinc/23/60/11/633236011.db2.gz IUUFTLOQQJAYPT-ZWKOTPCHSA-N 2 2 266.388 3.166 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(O)c1F ZINC000872017494 633938957 /nfs/dbraw/zinc/93/89/57/633938957.db2.gz ARZZXTQMOFGBBP-CYBMUJFWSA-N 2 2 280.387 3.058 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(O)ccc1F ZINC000872024735 633944751 /nfs/dbraw/zinc/94/47/51/633944751.db2.gz DOOWPWLOTNSWFX-GFCCVEGCSA-N 2 2 292.398 3.056 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+]1CCCCC1 ZINC000834522816 634175831 /nfs/dbraw/zinc/17/58/31/634175831.db2.gz LCAZTKFUKHCJLB-DLBZAZTESA-N 2 2 289.467 3.257 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873237578 634296770 /nfs/dbraw/zinc/29/67/70/634296770.db2.gz RCQJNDYWYUJLDS-JKSUJKDBSA-N 2 2 275.440 3.291 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1F ZINC000019913174 634375839 /nfs/dbraw/zinc/37/58/39/634375839.db2.gz DTLSVIDSZGKKBU-AWEZNQCLSA-N 2 2 264.388 3.180 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1F ZINC000019913174 634375842 /nfs/dbraw/zinc/37/58/42/634375842.db2.gz DTLSVIDSZGKKBU-AWEZNQCLSA-N 2 2 264.388 3.180 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000877490924 635058688 /nfs/dbraw/zinc/05/86/88/635058688.db2.gz BFGVKQYVOQDANF-UHFFFAOYSA-N 2 2 293.842 3.029 20 0 CGADLP CC(C)c1cnc(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000844224331 635833134 /nfs/dbraw/zinc/83/31/34/635833134.db2.gz OROYLWRDMDUWFW-UHFFFAOYSA-N 2 2 279.428 3.139 20 0 CGADLP CC(C)c1cnc(C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000844224331 635833135 /nfs/dbraw/zinc/83/31/35/635833135.db2.gz OROYLWRDMDUWFW-UHFFFAOYSA-N 2 2 279.428 3.139 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880372704 635986576 /nfs/dbraw/zinc/98/65/76/635986576.db2.gz ZOAQTELRHSJFPK-GOSISDBHSA-N 2 2 283.419 3.364 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880372704 635986577 /nfs/dbraw/zinc/98/65/77/635986577.db2.gz ZOAQTELRHSJFPK-GOSISDBHSA-N 2 2 283.419 3.364 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569196 636023225 /nfs/dbraw/zinc/02/32/25/636023225.db2.gz JOLLCQMAJJAHID-GOEBONIOSA-N 2 2 257.381 3.260 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000883162066 636561638 /nfs/dbraw/zinc/56/16/38/636561638.db2.gz JDCZFPNEMXNYBI-GJZGRUSLSA-N 2 2 293.842 3.029 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000883162066 636561643 /nfs/dbraw/zinc/56/16/43/636561643.db2.gz JDCZFPNEMXNYBI-GJZGRUSLSA-N 2 2 293.842 3.029 20 0 CGADLP CC(C)c1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000848525329 636589571 /nfs/dbraw/zinc/58/95/71/636589571.db2.gz NBSCSOUIATTYDE-UHFFFAOYSA-N 2 2 257.381 3.186 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883236839 636607098 /nfs/dbraw/zinc/60/70/98/636607098.db2.gz LTMMUEKITPWDGB-HYVNUMGLSA-N 2 2 294.483 3.044 20 0 CGADLP c1ccc2ncc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000848575460 636612993 /nfs/dbraw/zinc/61/29/93/636612993.db2.gz QXRJUDAZALXACQ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000848575460 636612998 /nfs/dbraw/zinc/61/29/98/636612998.db2.gz QXRJUDAZALXACQ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386909 636728756 /nfs/dbraw/zinc/72/87/56/636728756.db2.gz OOMCOXLNRMRTAY-DOTOQJQBSA-N 2 2 287.407 3.029 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416395 636748801 /nfs/dbraw/zinc/74/88/01/636748801.db2.gz TZSRZNZWSNVLCB-RCCFBDPRSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883416395 636748812 /nfs/dbraw/zinc/74/88/12/636748812.db2.gz TZSRZNZWSNVLCB-RCCFBDPRSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1[nH]c(C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)[nH+]c1C ZINC000884707540 637132292 /nfs/dbraw/zinc/13/22/92/637132292.db2.gz QABOTNJDDLAFTN-UHFFFAOYSA-N 2 2 299.422 3.126 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H]1CCc2cccnc21)C(C)C ZINC000886534728 637560161 /nfs/dbraw/zinc/56/01/61/637560161.db2.gz NKPWIBBDOKCXCS-INIZCTEOSA-N 2 2 275.440 3.167 20 0 CGADLP c1cnc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000886537423 637561413 /nfs/dbraw/zinc/56/14/13/637561413.db2.gz ZYHZAMVAJKZGAH-QGZVFWFLSA-N 2 2 285.435 3.066 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000886707560 637665906 /nfs/dbraw/zinc/66/59/06/637665906.db2.gz LIIBGIWFEDKFDK-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1F ZINC000111038683 637737088 /nfs/dbraw/zinc/73/70/88/637737088.db2.gz VWJBNONYEXBOHK-CQSZACIVSA-N 2 2 293.361 3.366 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924576938 638365528 /nfs/dbraw/zinc/36/55/28/638365528.db2.gz FIWSZHWMXZAIQE-GFCCVEGCSA-N 2 2 280.387 3.056 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924572874 638365601 /nfs/dbraw/zinc/36/56/01/638365601.db2.gz MWGVKRDCROZVEQ-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924572874 638365607 /nfs/dbraw/zinc/36/56/07/638365607.db2.gz MWGVKRDCROZVEQ-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccns1 ZINC000924602614 638373352 /nfs/dbraw/zinc/37/33/52/638373352.db2.gz ZJHMFUZIWAHCHS-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccns1 ZINC000924602614 638373355 /nfs/dbraw/zinc/37/33/55/638373355.db2.gz ZJHMFUZIWAHCHS-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924627508 638379386 /nfs/dbraw/zinc/37/93/86/638379386.db2.gz BRNBPYWNIJVZTQ-ZDUSSCGKSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770772 638402307 /nfs/dbraw/zinc/40/23/07/638402307.db2.gz SWJPXYLAKOVOPS-DLBZAZTESA-N 2 2 299.418 3.023 20 0 CGADLP CC[C@@H]1COC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925058162 638445056 /nfs/dbraw/zinc/44/50/56/638445056.db2.gz RQVGNOQJXXNHNM-ZMSDIMECSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668692 638563589 /nfs/dbraw/zinc/56/35/89/638563589.db2.gz JVFFJTWVUNKCFE-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668690 638563609 /nfs/dbraw/zinc/56/36/09/638563609.db2.gz JVFFJTWVUNKCFE-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1coc2ccccc12 ZINC000926230331 638748089 /nfs/dbraw/zinc/74/80/89/638748089.db2.gz SILFNLOWSCGJOI-CHWSQXEVSA-N 2 2 281.359 3.295 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450521 638772759 /nfs/dbraw/zinc/77/27/59/638772759.db2.gz OALNKYREXAMFAN-XJKCOSOUSA-N 2 2 273.424 3.382 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC12CCSCC2 ZINC000926602819 638790844 /nfs/dbraw/zinc/79/08/44/638790844.db2.gz XVBMAACPPDCHDC-OWCLPIDISA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC12CCSCC2 ZINC000926602819 638790847 /nfs/dbraw/zinc/79/08/47/638790847.db2.gz XVBMAACPPDCHDC-OWCLPIDISA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC2(CCCC2)O1 ZINC000926674704 638797412 /nfs/dbraw/zinc/79/74/12/638797412.db2.gz PBEAGYNTSBPLMN-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC2(CCCC2)O1 ZINC000926674704 638797414 /nfs/dbraw/zinc/79/74/14/638797414.db2.gz PBEAGYNTSBPLMN-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC(F)(F)C1 ZINC000926841614 638816986 /nfs/dbraw/zinc/81/69/86/638816986.db2.gz KNKRYJXGTPBLMX-OLZOCXBDSA-N 2 2 272.383 3.028 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC(F)(F)C1 ZINC000926841614 638816988 /nfs/dbraw/zinc/81/69/88/638816988.db2.gz KNKRYJXGTPBLMX-OLZOCXBDSA-N 2 2 272.383 3.028 20 0 CGADLP CC(F)(F)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929804339 638952900 /nfs/dbraw/zinc/95/29/00/638952900.db2.gz VGKHJHZFDFYKJP-UHFFFAOYSA-N 2 2 257.328 3.025 20 0 CGADLP COC/C(C)=C/C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000930089667 638973781 /nfs/dbraw/zinc/97/37/81/638973781.db2.gz FKLMNKDUILDSGU-LFIBNONCSA-N 2 2 290.451 3.079 20 0 CGADLP COC/C(C)=C/C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000930089667 638973784 /nfs/dbraw/zinc/97/37/84/638973784.db2.gz FKLMNKDUILDSGU-LFIBNONCSA-N 2 2 290.451 3.079 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC2(CC2)CC1 ZINC000930126303 638976251 /nfs/dbraw/zinc/97/62/51/638976251.db2.gz RGKDJKDWKPGXGA-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC2(CC2)CC1 ZINC000930126303 638976253 /nfs/dbraw/zinc/97/62/53/638976253.db2.gz RGKDJKDWKPGXGA-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(-c2ccccc2Nc2ccc3c[nH+]cn3c2)c[nH+]1 ZINC001250328777 805574578 /nfs/dbraw/zinc/57/45/78/805574578.db2.gz ZOHLGBMBKMMSKW-UHFFFAOYSA-N 2 2 275.315 3.264 20 0 CGADLP CC[NH+]1CCC(c2[nH]c3cc(C)c(OC)cc3[nH+]2)CC1 ZINC001250570655 805702084 /nfs/dbraw/zinc/70/20/84/805702084.db2.gz KMZAAVJATNBCQN-UHFFFAOYSA-N 2 2 273.380 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1[nH+]cc(C)cc1N ZINC001158739568 805994458 /nfs/dbraw/zinc/99/44/58/805994458.db2.gz ZZGVSVISWCELCC-CQSZACIVSA-N 2 2 282.391 3.212 20 0 CGADLP c1cn(-c2cccc(Nc3cccc4c3CC[NH2+]C4)c2)c[nH+]1 ZINC001159460848 806106663 /nfs/dbraw/zinc/10/66/63/806106663.db2.gz AQKQUAWUOFFQHL-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(OCC[NH3+])cc1 ZINC001159690164 806151982 /nfs/dbraw/zinc/15/19/82/806151982.db2.gz MGHQPCUYDURWOW-UHFFFAOYSA-N 2 2 283.375 3.349 20 0 CGADLP CNc1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001160014702 806213437 /nfs/dbraw/zinc/21/34/37/806213437.db2.gz IMZRKNZSTUKZNG-UHFFFAOYSA-N 2 2 296.418 3.409 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccoc2)[nH+]1 ZINC001254019824 806329846 /nfs/dbraw/zinc/32/98/46/806329846.db2.gz WZOAJIHDSNQRLQ-OAHLLOKOSA-N 2 2 271.364 3.060 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccoc2)[nH+]1 ZINC001254019824 806329857 /nfs/dbraw/zinc/32/98/57/806329857.db2.gz WZOAJIHDSNQRLQ-OAHLLOKOSA-N 2 2 271.364 3.060 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC2)CC1 ZINC001254435713 806397454 /nfs/dbraw/zinc/39/74/54/806397454.db2.gz CKXMJSSDPGBEDH-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP c1cn(C2CCC3(CC3)CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001254445095 806401685 /nfs/dbraw/zinc/40/16/85/806401685.db2.gz GRBWGRAZOXFAAS-CYBMUJFWSA-N 2 2 259.397 3.245 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001254502879 806422927 /nfs/dbraw/zinc/42/29/27/806422927.db2.gz JLMOWPSGKGKFHH-ZDUSSCGKSA-N 2 2 278.827 3.403 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC1 ZINC001254502879 806422932 /nfs/dbraw/zinc/42/29/32/806422932.db2.gz JLMOWPSGKGKFHH-ZDUSSCGKSA-N 2 2 278.827 3.403 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254843705 806496094 /nfs/dbraw/zinc/49/60/94/806496094.db2.gz JILMDIMABBJCEZ-RHSMWYFYSA-N 2 2 264.457 3.419 20 0 CGADLP CCc1cc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001162258387 806542734 /nfs/dbraw/zinc/54/27/34/806542734.db2.gz KMWPFQNYWSVRQG-ZIAGYGMSSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001162258387 806542741 /nfs/dbraw/zinc/54/27/41/806542741.db2.gz KMWPFQNYWSVRQG-ZIAGYGMSSA-N 2 2 290.455 3.134 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001162453858 806587640 /nfs/dbraw/zinc/58/76/40/806587640.db2.gz MDYWYZVVAFCFQA-STQMWFEESA-N 2 2 287.382 3.422 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000037156268 798860613 /nfs/dbraw/zinc/86/06/13/798860613.db2.gz JBNHWYCJVSGWCN-ILXRZTDVSA-N 2 2 263.429 3.466 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c2ccccc12 ZINC000094692733 798970401 /nfs/dbraw/zinc/97/04/01/798970401.db2.gz SNYJUDYVNZBABS-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c2ccccc12 ZINC000094692733 798970406 /nfs/dbraw/zinc/97/04/06/798970406.db2.gz SNYJUDYVNZBABS-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]c2ccccc12 ZINC000146293350 799048228 /nfs/dbraw/zinc/04/82/28/799048228.db2.gz CUWWCTLEQVWVGJ-OLZOCXBDSA-N 2 2 255.365 3.225 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c2ccccc12 ZINC000146293776 799048309 /nfs/dbraw/zinc/04/83/09/799048309.db2.gz CUWWCTLEQVWVGJ-STQMWFEESA-N 2 2 255.365 3.225 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001255736831 806727873 /nfs/dbraw/zinc/72/78/73/806727873.db2.gz DAPUQICCQLVYGC-CYBMUJFWSA-N 2 2 296.455 3.332 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000328390351 799251187 /nfs/dbraw/zinc/25/11/87/799251187.db2.gz XSJDEPFXTKAVFF-BPCQOVAHSA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000328390351 799251191 /nfs/dbraw/zinc/25/11/91/799251191.db2.gz XSJDEPFXTKAVFF-BPCQOVAHSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000381744665 799385213 /nfs/dbraw/zinc/38/52/13/799385213.db2.gz MPKMYSLSZXYSHM-CXAGYDPISA-N 2 2 254.377 3.151 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000381744665 799385227 /nfs/dbraw/zinc/38/52/27/799385227.db2.gz MPKMYSLSZXYSHM-CXAGYDPISA-N 2 2 254.377 3.151 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825888 799388288 /nfs/dbraw/zinc/38/82/88/799388288.db2.gz WWCZYUPKOJAGNU-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381825888 799388296 /nfs/dbraw/zinc/38/82/96/799388296.db2.gz WWCZYUPKOJAGNU-GXFFZTMASA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+]1CCCCC1 ZINC000382225712 799394665 /nfs/dbraw/zinc/39/46/65/799394665.db2.gz GEJBQZWJZTVQDB-LBDPXKHJSA-N 2 2 250.430 3.029 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000393547859 799488537 /nfs/dbraw/zinc/48/85/37/799488537.db2.gz OZBJWZGMNVUPGW-LJQANCHMSA-N 2 2 295.430 3.245 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000405767263 799586947 /nfs/dbraw/zinc/58/69/47/799586947.db2.gz LQVOXKKSIZVYTO-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000405767263 799586950 /nfs/dbraw/zinc/58/69/50/799586950.db2.gz LQVOXKKSIZVYTO-GOSISDBHSA-N 2 2 266.388 3.277 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000446829194 799619365 /nfs/dbraw/zinc/61/93/65/799619365.db2.gz FCHQKGVAQDGVJF-NSHDSACASA-N 2 2 279.771 3.046 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000446829194 799619370 /nfs/dbraw/zinc/61/93/70/799619370.db2.gz FCHQKGVAQDGVJF-NSHDSACASA-N 2 2 279.771 3.046 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001255842055 806764302 /nfs/dbraw/zinc/76/43/02/806764302.db2.gz NNJJBBIVOJVOER-HNNXBMFYSA-N 2 2 290.426 3.317 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527998686 799669373 /nfs/dbraw/zinc/66/93/73/799669373.db2.gz FFKMOWQNTMMUOR-HRCADAONSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527998686 799669379 /nfs/dbraw/zinc/66/93/79/799669379.db2.gz FFKMOWQNTMMUOR-HRCADAONSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001255878062 806779975 /nfs/dbraw/zinc/77/99/75/806779975.db2.gz LNMIBKKJDUFCLI-CQSZACIVSA-N 2 2 287.382 3.290 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000704323490 799935674 /nfs/dbraw/zinc/93/56/74/799935674.db2.gz HLNNKPMTZQWTFQ-UHFFFAOYSA-N 2 2 281.831 3.088 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccccc1OC ZINC001255962761 806799426 /nfs/dbraw/zinc/79/94/26/806799426.db2.gz YVTQMHRXHADGQX-HNNXBMFYSA-N 2 2 278.440 3.247 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC001255962761 806799429 /nfs/dbraw/zinc/79/94/29/806799429.db2.gz YVTQMHRXHADGQX-HNNXBMFYSA-N 2 2 278.440 3.247 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000711709021 800069963 /nfs/dbraw/zinc/06/99/63/800069963.db2.gz JQEBOUACSKAVHR-GJZGRUSLSA-N 2 2 267.376 3.489 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCO2 ZINC001256069658 806810483 /nfs/dbraw/zinc/81/04/83/806810483.db2.gz LFRIWFXSKFYFGL-KRWDZBQOSA-N 2 2 286.419 3.035 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720834372 800268543 /nfs/dbraw/zinc/26/85/43/800268543.db2.gz JDQWKCHNGSFXCX-ZWNOBZJWSA-N 2 2 284.350 3.018 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720834372 800268546 /nfs/dbraw/zinc/26/85/46/800268546.db2.gz JDQWKCHNGSFXCX-ZWNOBZJWSA-N 2 2 284.350 3.018 20 0 CGADLP CC(C)OC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000723450957 800328940 /nfs/dbraw/zinc/32/89/40/800328940.db2.gz YDBXCSIIZDFAPZ-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(F)c1Cl ZINC001256201722 806848912 /nfs/dbraw/zinc/84/89/12/806848912.db2.gz LMSMBBKQOPWZFZ-SNVBAGLBSA-N 2 2 270.779 3.224 20 0 CGADLP Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)c[nH+]c1C ZINC001163911795 806849444 /nfs/dbraw/zinc/84/94/44/806849444.db2.gz MVVLJRANNUOWEZ-UHFFFAOYSA-N 2 2 296.418 3.173 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256205221 806850840 /nfs/dbraw/zinc/85/08/40/806850840.db2.gz XNKSLHAWMKCZCQ-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256205221 806850848 /nfs/dbraw/zinc/85/08/48/806850848.db2.gz XNKSLHAWMKCZCQ-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256569324 806918064 /nfs/dbraw/zinc/91/80/64/806918064.db2.gz ASUQMSMAQJWWQJ-LSDHHAIUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256569324 806918072 /nfs/dbraw/zinc/91/80/72/806918072.db2.gz ASUQMSMAQJWWQJ-LSDHHAIUSA-N 2 2 264.457 3.371 20 0 CGADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256573542 806919033 /nfs/dbraw/zinc/91/90/33/806919033.db2.gz JLNQITVFDNSFHL-UHFFFAOYSA-N 2 2 288.435 3.274 20 0 CGADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256573542 806919037 /nfs/dbraw/zinc/91/90/37/806919037.db2.gz JLNQITVFDNSFHL-UHFFFAOYSA-N 2 2 288.435 3.274 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001256619105 806927449 /nfs/dbraw/zinc/92/74/49/806927449.db2.gz TZTGEVHRMCSENV-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256619105 806927453 /nfs/dbraw/zinc/92/74/53/806927453.db2.gz TZTGEVHRMCSENV-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1nc(N2CCC3(CCCC[NH2+]3)CC2)cc(C(C)C)[nH+]1 ZINC001165246297 806979438 /nfs/dbraw/zinc/97/94/38/806979438.db2.gz HCCYAEDVAPSDBQ-UHFFFAOYSA-N 2 2 288.439 3.021 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165240513 806979609 /nfs/dbraw/zinc/97/96/09/806979609.db2.gz HWJLEUPRANPFJP-MRXNPFEDSA-N 2 2 293.842 3.046 20 0 CGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165240513 806979612 /nfs/dbraw/zinc/97/96/12/806979612.db2.gz HWJLEUPRANPFJP-MRXNPFEDSA-N 2 2 293.842 3.046 20 0 CGADLP Cc1cc(Cl)c(C)c(N2CCC3(CC([NH3+])C3)CC2)[nH+]1 ZINC001165243247 806979768 /nfs/dbraw/zinc/97/97/68/806979768.db2.gz IDAZRTCPVMAYOD-UHFFFAOYSA-N 2 2 279.815 3.060 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC001116811908 802414130 /nfs/dbraw/zinc/41/41/30/802414130.db2.gz POUGYFZOKWEMIZ-INIZCTEOSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC001116811908 802414135 /nfs/dbraw/zinc/41/41/35/802414135.db2.gz POUGYFZOKWEMIZ-INIZCTEOSA-N 2 2 294.389 3.114 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\C1CCCC1 ZINC001118280742 802545190 /nfs/dbraw/zinc/54/51/90/802545190.db2.gz RLMKDCUPUAPFBB-SREVYHEPSA-N 2 2 296.374 3.261 20 0 CGADLP CCC1CCC([N@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001256873801 806997737 /nfs/dbraw/zinc/99/77/37/806997737.db2.gz SVWDYYUOMLAYJM-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CCC1CCC([N@@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001256873801 806997740 /nfs/dbraw/zinc/99/77/40/806997740.db2.gz SVWDYYUOMLAYJM-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP C[NH+](C)Cc1cccc(-c2[nH+]ccc3[nH]ccc32)c1F ZINC001244862980 803553433 /nfs/dbraw/zinc/55/34/33/803553433.db2.gz KMERAGOVOASXJU-UHFFFAOYSA-N 2 2 269.323 3.431 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001137379616 803725989 /nfs/dbraw/zinc/72/59/89/803725989.db2.gz YHEFPZHAJYHSHL-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001137379616 803725990 /nfs/dbraw/zinc/72/59/90/803725990.db2.gz YHEFPZHAJYHSHL-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001137379616 803725991 /nfs/dbraw/zinc/72/59/91/803725991.db2.gz YHEFPZHAJYHSHL-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001137379616 803725993 /nfs/dbraw/zinc/72/59/93/803725993.db2.gz YHEFPZHAJYHSHL-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP c1[nH]c2ncccc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001137396936 803728694 /nfs/dbraw/zinc/72/86/94/803728694.db2.gz VUJBPVSAPPLKOV-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@@H]2C1 ZINC001138721726 804018919 /nfs/dbraw/zinc/01/89/19/804018919.db2.gz HEXHUGFKTDGELO-GJZGRUSLSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H](C[NH3+])c1ccccc1)C2 ZINC001246074502 804114496 /nfs/dbraw/zinc/11/44/96/804114496.db2.gz DWJFVADPFXASQH-PKOBYXMFSA-N 2 2 280.415 3.142 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246129930 804156282 /nfs/dbraw/zinc/15/62/82/804156282.db2.gz UVTYVPPTCSKAIA-CVEARBPZSA-N 2 2 282.472 3.236 20 0 CGADLP Cn1ccc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc21 ZINC001139206432 804162328 /nfs/dbraw/zinc/16/23/28/804162328.db2.gz AFENJEBMFYKOII-UHFFFAOYSA-N 2 2 294.402 3.212 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246152376 804170693 /nfs/dbraw/zinc/17/06/93/804170693.db2.gz NSXPMKUURSLBII-IKGGRYGDSA-N 2 2 282.472 3.235 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]4C3)cc2)c[nH+]1 ZINC001139356157 804181745 /nfs/dbraw/zinc/18/17/45/804181745.db2.gz FZXOVSCUJCWCIZ-SJORKVTESA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)cc2)c[nH+]1 ZINC001139356157 804181751 /nfs/dbraw/zinc/18/17/51/804181751.db2.gz FZXOVSCUJCWCIZ-SJORKVTESA-N 2 2 281.403 3.494 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246167969 804182848 /nfs/dbraw/zinc/18/28/48/804182848.db2.gz BMFSVSMRFPLIII-UKRRQHHQSA-N 2 2 284.806 3.345 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001139360203 804183620 /nfs/dbraw/zinc/18/36/20/804183620.db2.gz LIDPVWLRCDFZNO-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001139360203 804183625 /nfs/dbraw/zinc/18/36/25/804183625.db2.gz LIDPVWLRCDFZNO-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001246177971 804192595 /nfs/dbraw/zinc/19/25/95/804192595.db2.gz WSLQEOIFRUHSRE-CZUORRHYSA-N 2 2 260.425 3.214 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246210972 804208163 /nfs/dbraw/zinc/20/81/63/804208163.db2.gz HJNVRMQRDCIGNY-MJVIPROJSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246295948 804263835 /nfs/dbraw/zinc/26/38/35/804263835.db2.gz ZWOCBHACNQWNEI-COXVUDFISA-N 2 2 258.409 3.258 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335769 804290994 /nfs/dbraw/zinc/29/09/94/804290994.db2.gz ICRWEIRKOOAXKD-IRXDYDNUSA-N 2 2 292.492 3.083 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2F)CC[NH2+]1 ZINC001246347603 804298299 /nfs/dbraw/zinc/29/82/99/804298299.db2.gz ALAFTHCREHYWBJ-LSDHHAIUSA-N 2 2 294.414 3.235 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2cccc(F)c2)C[NH2+]1 ZINC001246446975 804335557 /nfs/dbraw/zinc/33/55/57/804335557.db2.gz FKFRDUQWITWNDR-JLZZUVOBSA-N 2 2 276.399 3.397 20 0 CGADLP Clc1cccnc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001246461213 804342029 /nfs/dbraw/zinc/34/20/29/804342029.db2.gz XOJIUBYZWYGYTH-RLCAUIQDSA-N 2 2 291.826 3.059 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC001246512479 804367387 /nfs/dbraw/zinc/36/73/87/804367387.db2.gz UHWNWAWZNQODML-ZBFHGGJFSA-N 2 2 276.424 3.253 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246513533 804369216 /nfs/dbraw/zinc/36/92/16/804369216.db2.gz XULCNJNSKQJIFX-QRTARXTBSA-N 2 2 278.440 3.499 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570680 804417753 /nfs/dbraw/zinc/41/77/53/804417753.db2.gz SGOCRKZYYGFYGJ-SNPRPXQTSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570680 804417758 /nfs/dbraw/zinc/41/77/58/804417758.db2.gz SGOCRKZYYGFYGJ-SNPRPXQTSA-N 2 2 292.854 3.257 20 0 CGADLP c1[nH]nc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc12 ZINC001140382176 804426332 /nfs/dbraw/zinc/42/63/32/804426332.db2.gz IVKQRWLSEFDKDJ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589982 804432434 /nfs/dbraw/zinc/43/24/34/804432434.db2.gz QSYITTCTLIUTCA-APIJFGDWSA-N 2 2 274.399 3.069 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589982 804432435 /nfs/dbraw/zinc/43/24/35/804432435.db2.gz QSYITTCTLIUTCA-APIJFGDWSA-N 2 2 274.399 3.069 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]13CCC[NH2+]C3)C2 ZINC001246605619 804441590 /nfs/dbraw/zinc/44/15/90/804441590.db2.gz PWAJDACLHFQZCC-DLBZAZTESA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]13CCC[NH2+]C3)C2 ZINC001246605619 804441594 /nfs/dbraw/zinc/44/15/94/804441594.db2.gz PWAJDACLHFQZCC-DLBZAZTESA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617531 804452670 /nfs/dbraw/zinc/45/26/70/804452670.db2.gz DAUNBKWEAPDPMJ-SJLPKXTDSA-N 2 2 298.474 3.497 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246619929 804453710 /nfs/dbraw/zinc/45/37/10/804453710.db2.gz PHXIQSHNCLTXAJ-PVAVHDDUSA-N 2 2 258.409 3.136 20 0 CGADLP CCC[C@@H](CC)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246619929 804453714 /nfs/dbraw/zinc/45/37/14/804453714.db2.gz PHXIQSHNCLTXAJ-PVAVHDDUSA-N 2 2 258.409 3.136 20 0 CGADLP CCCCC[C@H](CCC)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647821 804475706 /nfs/dbraw/zinc/47/57/06/804475706.db2.gz JRXADTOZSORFLJ-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC[C@H](CCC)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647821 804475711 /nfs/dbraw/zinc/47/57/11/804475711.db2.gz JRXADTOZSORFLJ-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP C[C@@]1(F)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802563 804520076 /nfs/dbraw/zinc/52/00/76/804520076.db2.gz ZECUJEQYZRCSMD-OAHLLOKOSA-N 2 2 261.344 3.277 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802563 804520079 /nfs/dbraw/zinc/52/00/79/804520079.db2.gz ZECUJEQYZRCSMD-OAHLLOKOSA-N 2 2 261.344 3.277 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801329 804521570 /nfs/dbraw/zinc/52/15/70/804521570.db2.gz UCPQNWFLLBISRJ-ZLDLUXBVSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C[NH2+]1 ZINC001246801329 804521574 /nfs/dbraw/zinc/52/15/74/804521574.db2.gz UCPQNWFLLBISRJ-ZLDLUXBVSA-N 2 2 298.352 3.245 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)n1 ZINC001140804937 804522932 /nfs/dbraw/zinc/52/29/32/804522932.db2.gz KZKMRJBBJCLIBH-CQSZACIVSA-N 2 2 284.388 3.357 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)n1 ZINC001140804937 804522939 /nfs/dbraw/zinc/52/29/39/804522939.db2.gz KZKMRJBBJCLIBH-CQSZACIVSA-N 2 2 284.388 3.357 20 0 CGADLP FC(F)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806340 804524718 /nfs/dbraw/zinc/52/47/18/804524718.db2.gz GAUAOSLPDJNWDS-UHFFFAOYSA-N 2 2 265.307 3.040 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246822595 804534753 /nfs/dbraw/zinc/53/47/53/804534753.db2.gz MBFQVEZTEATNOZ-HFTRVMKXSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246822595 804534756 /nfs/dbraw/zinc/53/47/56/804534756.db2.gz MBFQVEZTEATNOZ-HFTRVMKXSA-N 2 2 288.435 3.363 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821031 804534965 /nfs/dbraw/zinc/53/49/65/804534965.db2.gz HPXKPRQYWQIMLW-HUUCEWRRSA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821031 804534969 /nfs/dbraw/zinc/53/49/69/804534969.db2.gz HPXKPRQYWQIMLW-HUUCEWRRSA-N 2 2 276.399 3.452 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876098 804574393 /nfs/dbraw/zinc/57/43/93/804574393.db2.gz YJTVAXOUWZTNNE-YOEHRIQHSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876098 804574399 /nfs/dbraw/zinc/57/43/99/804574399.db2.gz YJTVAXOUWZTNNE-YOEHRIQHSA-N 2 2 292.854 3.475 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001246887404 804580816 /nfs/dbraw/zinc/58/08/16/804580816.db2.gz ORQMHRGXXAZYDJ-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001246887404 804580822 /nfs/dbraw/zinc/58/08/22/804580822.db2.gz ORQMHRGXXAZYDJ-XHDPSFHLSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903628 804590090 /nfs/dbraw/zinc/59/00/90/804590090.db2.gz ZDZANKNQAGNWHP-XUJVJEKNSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]1 ZINC001246903628 804590095 /nfs/dbraw/zinc/59/00/95/804590095.db2.gz ZDZANKNQAGNWHP-XUJVJEKNSA-N 2 2 280.362 3.242 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246909819 804593027 /nfs/dbraw/zinc/59/30/27/804593027.db2.gz QGFMUYJKJRWSQH-AWEZNQCLSA-N 2 2 294.389 3.461 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246909819 804593030 /nfs/dbraw/zinc/59/30/30/804593030.db2.gz QGFMUYJKJRWSQH-AWEZNQCLSA-N 2 2 294.389 3.461 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2C[NH2+][C@H](C)C2)c1 ZINC001246944913 804611696 /nfs/dbraw/zinc/61/16/96/804611696.db2.gz UGNGRPOIBZBUGX-PVAVHDDUSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2C[NH2+][C@H](C)C2)c1 ZINC001246944913 804611701 /nfs/dbraw/zinc/61/17/01/804611701.db2.gz UGNGRPOIBZBUGX-PVAVHDDUSA-N 2 2 258.409 3.191 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956950 804617775 /nfs/dbraw/zinc/61/77/75/804617775.db2.gz BIVPJOFNBYPINK-BPQIPLTHSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956950 804617783 /nfs/dbraw/zinc/61/77/83/804617783.db2.gz BIVPJOFNBYPINK-BPQIPLTHSA-N 2 2 287.451 3.214 20 0 CGADLP CCCn1c(CC2CC[NH2+]CC2)[nH+]c2ccc(F)c(F)c21 ZINC001247041754 804649541 /nfs/dbraw/zinc/64/95/41/804649541.db2.gz YWAVSFTZADNOAX-UHFFFAOYSA-N 2 2 293.361 3.267 20 0 CGADLP c1nc2c(cccc2C[NH+]2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC001142672850 804754339 /nfs/dbraw/zinc/75/43/39/804754339.db2.gz POJLFBMZEVHUGK-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP c1cn2cc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)ccc2[nH+]1 ZINC001143035342 804798057 /nfs/dbraw/zinc/79/80/57/804798057.db2.gz JREUTUZIDQESNK-HZPDHXFCSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2cc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)ccc2[nH+]1 ZINC001143035342 804798061 /nfs/dbraw/zinc/79/80/61/804798061.db2.gz JREUTUZIDQESNK-HZPDHXFCSA-N 2 2 269.392 3.346 20 0 CGADLP Cc1c(O)cccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001144107327 804934964 /nfs/dbraw/zinc/93/49/64/804934964.db2.gz KJINIACELPVGLR-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001155034056 805527907 /nfs/dbraw/zinc/52/79/07/805527907.db2.gz VOGUKRCBSBAAQS-TZMCWYRMSA-N 2 2 290.455 3.130 20 0 CGADLP F[C@@]1(CNc2cc3ccccc3c[nH+]2)CCCC[NH2+]C1 ZINC001155116362 805541606 /nfs/dbraw/zinc/54/16/06/805541606.db2.gz YQROVAFCAINWPZ-INIZCTEOSA-N 2 2 273.355 3.129 20 0 CGADLP c1cn(CCc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC001250316780 805561530 /nfs/dbraw/zinc/56/15/30/805561530.db2.gz XNKKMJKUPYXORP-UHFFFAOYSA-N 2 2 269.392 3.112 20 0 CGADLP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)c[nH+]c1C ZINC001165455187 807003711 /nfs/dbraw/zinc/00/37/11/807003711.db2.gz VJXKTNJAQMUGNQ-UHFFFAOYSA-N 2 2 281.403 3.242 20 0 CGADLP CCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257328918 807110810 /nfs/dbraw/zinc/11/08/10/807110810.db2.gz URYFHEXUYHUCDS-AWEZNQCLSA-N 2 2 261.413 3.137 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257462895 807168481 /nfs/dbraw/zinc/16/84/81/807168481.db2.gz GRUPNDUCZIJMKL-QWHCGFSZSA-N 2 2 251.418 3.470 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001257478931 807176202 /nfs/dbraw/zinc/17/62/02/807176202.db2.gz UXDTYFPCTBDJML-UONOGXRCSA-N 2 2 251.418 3.157 20 0 CGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc2cc[nH]c2c[nH+]1 ZINC001167624246 807217779 /nfs/dbraw/zinc/21/77/79/807217779.db2.gz QXPZXOIXGNXYJD-UHFFFAOYSA-N 2 2 272.396 3.048 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964731 807288972 /nfs/dbraw/zinc/28/89/72/807288972.db2.gz WXVBHPZTGCIKJK-MIGBEJBISA-N 2 2 299.462 3.446 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964731 807288979 /nfs/dbraw/zinc/28/89/79/807288979.db2.gz WXVBHPZTGCIKJK-MIGBEJBISA-N 2 2 299.462 3.446 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168183035 807337229 /nfs/dbraw/zinc/33/72/29/807337229.db2.gz NCNAXBSRGFNWMO-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168183035 807337239 /nfs/dbraw/zinc/33/72/39/807337239.db2.gz NCNAXBSRGFNWMO-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP CC(C)c1cc(NC2(C)CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001168187191 807338917 /nfs/dbraw/zinc/33/89/17/807338917.db2.gz NAQDAOULVUEVNP-UHFFFAOYSA-N 2 2 276.428 3.277 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001168204524 807348889 /nfs/dbraw/zinc/34/88/89/807348889.db2.gz WHPGJUNUKCQZQT-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001168204524 807348896 /nfs/dbraw/zinc/34/88/96/807348896.db2.gz WHPGJUNUKCQZQT-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc([NH+]2CCCCC2)ccc1NC1C[NH+](C(C)C)C1 ZINC001168317231 807382876 /nfs/dbraw/zinc/38/28/76/807382876.db2.gz GXLQYLMTVZFLRV-UHFFFAOYSA-N 2 2 287.451 3.490 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C1CCCCCCC1 ZINC001258240053 807383171 /nfs/dbraw/zinc/38/31/71/807383171.db2.gz IXUIWKQEXLCQNG-UHFFFAOYSA-N 3 2 297.531 3.305 20 0 CGADLP [NH3+]CC[C@H]1CN(c2cc3[nH+]c[nH]c3cc2F)c2ccccc21 ZINC001168547713 807442702 /nfs/dbraw/zinc/44/27/02/807442702.db2.gz GQZSXRBFKHKHTD-NSHDSACASA-N 2 2 296.349 3.286 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168685088 807478453 /nfs/dbraw/zinc/47/84/53/807478453.db2.gz NLLZAGNIUWTXNX-CQSZACIVSA-N 2 2 280.843 3.129 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168685088 807478457 /nfs/dbraw/zinc/47/84/57/807478457.db2.gz NLLZAGNIUWTXNX-CQSZACIVSA-N 2 2 280.843 3.129 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001168762974 807505998 /nfs/dbraw/zinc/50/59/98/807505998.db2.gz CMPKZNCTXYTNIC-UHFFFAOYSA-N 2 2 284.407 3.143 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001169093468 807573272 /nfs/dbraw/zinc/57/32/72/807573272.db2.gz HXYBXCHZOJLUSM-XYYAHUGASA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1F)C2 ZINC001169093468 807573274 /nfs/dbraw/zinc/57/32/74/807573274.db2.gz HXYBXCHZOJLUSM-XYYAHUGASA-N 2 2 282.790 3.194 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001169108321 807578067 /nfs/dbraw/zinc/57/80/67/807578067.db2.gz RBSBVLMLOKNMEA-BTTYYORXSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001169108321 807578070 /nfs/dbraw/zinc/57/80/70/807578070.db2.gz RBSBVLMLOKNMEA-BTTYYORXSA-N 2 2 294.826 3.063 20 0 CGADLP CC[N@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144150 807590243 /nfs/dbraw/zinc/59/02/43/807590243.db2.gz JXGHDHPOSBGRHZ-MUJYYYPQSA-N 2 2 276.399 3.273 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144150 807590249 /nfs/dbraw/zinc/59/02/49/807590249.db2.gz JXGHDHPOSBGRHZ-MUJYYYPQSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144150 807590256 /nfs/dbraw/zinc/59/02/56/807590256.db2.gz JXGHDHPOSBGRHZ-MUJYYYPQSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144150 807590264 /nfs/dbraw/zinc/59/02/64/807590264.db2.gz JXGHDHPOSBGRHZ-MUJYYYPQSA-N 2 2 276.399 3.273 20 0 CGADLP COCC[N@H+](C1CCC(C(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258803488 807623908 /nfs/dbraw/zinc/62/39/08/807623908.db2.gz ANXWHCATMLABJU-UHFFFAOYSA-N 2 2 296.499 3.244 20 0 CGADLP COCC[N@@H+](C1CCC(C(C)C)CC1)C1CC[NH+](C)CC1 ZINC001258803488 807623912 /nfs/dbraw/zinc/62/39/12/807623912.db2.gz ANXWHCATMLABJU-UHFFFAOYSA-N 2 2 296.499 3.244 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258843895 807655336 /nfs/dbraw/zinc/65/53/36/807655336.db2.gz HVIQQOUXBSMLIQ-MRXNPFEDSA-N 2 2 260.425 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258843895 807655340 /nfs/dbraw/zinc/65/53/40/807655340.db2.gz HVIQQOUXBSMLIQ-MRXNPFEDSA-N 2 2 260.425 3.034 20 0 CGADLP c1ccc(-c2ccc[nH+]c2NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169558769 807666973 /nfs/dbraw/zinc/66/69/73/807666973.db2.gz RPKJSCTVTJESML-OAHLLOKOSA-N 2 2 267.376 3.303 20 0 CGADLP Cc1[nH+]c2c(n1[C@H](C)CCCC(C)C)CC[NH2+]CC2 ZINC001170077723 807749686 /nfs/dbraw/zinc/74/96/86/807749686.db2.gz MWTSLZFNZRFCNQ-CYBMUJFWSA-N 2 2 263.429 3.267 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001170716757 807883975 /nfs/dbraw/zinc/88/39/75/807883975.db2.gz WMYJXMDWNLYGAA-XGBSXSJOSA-N 2 2 281.403 3.397 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170887946 807925816 /nfs/dbraw/zinc/92/58/16/807925816.db2.gz ADWYLJYPHJWNQB-CQSZACIVSA-N 2 2 280.843 3.129 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898937 807928545 /nfs/dbraw/zinc/92/85/45/807928545.db2.gz ZMKFMJKZHOWMRK-HUUCEWRRSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898937 807928548 /nfs/dbraw/zinc/92/85/48/807928548.db2.gz ZMKFMJKZHOWMRK-HUUCEWRRSA-N 2 2 292.854 3.270 20 0 CGADLP Cc1cc[nH+]c(C)c1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171096588 807983258 /nfs/dbraw/zinc/98/32/58/807983258.db2.gz ZDWBVUNMIJSGNA-AWEZNQCLSA-N 2 2 291.398 3.458 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171619499 808106878 /nfs/dbraw/zinc/10/68/78/808106878.db2.gz MWJQCPDYVRULFY-UHFFFAOYSA-N 3 2 295.515 3.100 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC001171658735 808114115 /nfs/dbraw/zinc/11/41/15/808114115.db2.gz VBPFZMHUZQDDIE-SJORKVTESA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001171679728 808121842 /nfs/dbraw/zinc/12/18/42/808121842.db2.gz NKTUWRFBEADMCC-MRXNPFEDSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001171679728 808121843 /nfs/dbraw/zinc/12/18/43/808121843.db2.gz NKTUWRFBEADMCC-MRXNPFEDSA-N 2 2 272.436 3.096 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cnoc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972062 808162975 /nfs/dbraw/zinc/16/29/75/808162975.db2.gz MTSKFJHNLXZGFZ-KRWDZBQOSA-N 2 2 299.418 3.207 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cnoc2)CC[N@H+]1Cc1ccccc1 ZINC001171972062 808162980 /nfs/dbraw/zinc/16/29/80/808162980.db2.gz MTSKFJHNLXZGFZ-KRWDZBQOSA-N 2 2 299.418 3.207 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001172107720 808176272 /nfs/dbraw/zinc/17/62/72/808176272.db2.gz GKPILWUPQIRBGH-YIYPIFLZSA-N 2 2 272.383 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCCC1(F)F)C2 ZINC001172107720 808176274 /nfs/dbraw/zinc/17/62/74/808176274.db2.gz GKPILWUPQIRBGH-YIYPIFLZSA-N 2 2 272.383 3.169 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001172105938 808177325 /nfs/dbraw/zinc/17/73/25/808177325.db2.gz LILSXBRUDLIKME-YYIAUSFCSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CF)c1ccccc1)C2 ZINC001172105938 808177327 /nfs/dbraw/zinc/17/73/27/808177327.db2.gz LILSXBRUDLIKME-YYIAUSFCSA-N 2 2 276.399 3.302 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CSc2ccccc2C1 ZINC001172203585 808197435 /nfs/dbraw/zinc/19/74/35/808197435.db2.gz TUOGYDRIFCWBFS-MRXNPFEDSA-N 2 2 290.476 3.120 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CSc2ccccc2C1 ZINC001172203585 808197440 /nfs/dbraw/zinc/19/74/40/808197440.db2.gz TUOGYDRIFCWBFS-MRXNPFEDSA-N 2 2 290.476 3.120 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@H]1C ZINC001172371488 808266706 /nfs/dbraw/zinc/26/67/06/808266706.db2.gz UPSDRYKVJOGQBK-SRABZTEZSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@H]1C ZINC001172371488 808266709 /nfs/dbraw/zinc/26/67/09/808266709.db2.gz UPSDRYKVJOGQBK-SRABZTEZSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383800 808277808 /nfs/dbraw/zinc/27/78/08/808277808.db2.gz RYPUSNGXUWNSSU-UHDSXZAQSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383800 808277812 /nfs/dbraw/zinc/27/78/12/808277812.db2.gz RYPUSNGXUWNSSU-UHDSXZAQSA-N 2 2 282.447 3.319 20 0 CGADLP CC[C@H](CC(C)C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001172405878 808294813 /nfs/dbraw/zinc/29/48/13/808294813.db2.gz DRFSPEYCYPAVEW-MRXNPFEDSA-N 2 2 290.455 3.040 20 0 CGADLP CCOCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172427523 808306859 /nfs/dbraw/zinc/30/68/59/808306859.db2.gz PKUPGRFNMUNGJX-OAHLLOKOSA-N 2 2 287.407 3.119 20 0 CGADLP CCOCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172427523 808306866 /nfs/dbraw/zinc/30/68/66/808306866.db2.gz PKUPGRFNMUNGJX-OAHLLOKOSA-N 2 2 287.407 3.119 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172653072 808408838 /nfs/dbraw/zinc/40/88/38/808408838.db2.gz CMZCKNJEHBOTSJ-AWEZNQCLSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172653072 808408841 /nfs/dbraw/zinc/40/88/41/808408841.db2.gz CMZCKNJEHBOTSJ-AWEZNQCLSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844458 808457424 /nfs/dbraw/zinc/45/74/24/808457424.db2.gz INEDREDADPKDNG-CHWSQXEVSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844458 808457428 /nfs/dbraw/zinc/45/74/28/808457428.db2.gz INEDREDADPKDNG-CHWSQXEVSA-N 2 2 298.833 3.482 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172849460 808462196 /nfs/dbraw/zinc/46/21/96/808462196.db2.gz MWMQPLHTADZEPA-GFCCVEGCSA-N 2 2 298.833 3.436 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172849460 808462201 /nfs/dbraw/zinc/46/22/01/808462201.db2.gz MWMQPLHTADZEPA-GFCCVEGCSA-N 2 2 298.833 3.436 20 0 CGADLP CO[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949057 808492978 /nfs/dbraw/zinc/49/29/78/808492978.db2.gz HPKBIIVSEVUPEL-ROUUACIJSA-N 2 2 299.418 3.262 20 0 CGADLP CO[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172949057 808492981 /nfs/dbraw/zinc/49/29/81/808492981.db2.gz HPKBIIVSEVUPEL-ROUUACIJSA-N 2 2 299.418 3.262 20 0 CGADLP CCCOC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001173090744 808505538 /nfs/dbraw/zinc/50/55/38/808505538.db2.gz ILPNWXTYIKDRQT-UHFFFAOYSA-N 2 2 282.472 3.190 20 0 CGADLP C[NH+]1CC(C[NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001173342481 808621616 /nfs/dbraw/zinc/62/16/16/808621616.db2.gz ZKENERMNIREJLJ-HNNXBMFYSA-N 2 2 250.430 3.031 20 0 CGADLP CCc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc[nH+]1 ZINC001213086815 815230302 /nfs/dbraw/zinc/23/03/02/815230302.db2.gz BLGMWBCCHOGPHR-UHFFFAOYSA-N 2 2 264.332 3.200 20 0 CGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1cc[nH+]c2ccccc12 ZINC001174038330 808835781 /nfs/dbraw/zinc/83/57/81/808835781.db2.gz RSFSVZQMOLWBNU-UHFFFAOYSA-N 2 2 292.317 3.496 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275855637 808971247 /nfs/dbraw/zinc/97/12/47/808971247.db2.gz OTDNINYDMYOUPP-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275855637 808971251 /nfs/dbraw/zinc/97/12/51/808971251.db2.gz OTDNINYDMYOUPP-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001275855637 808971257 /nfs/dbraw/zinc/97/12/57/808971257.db2.gz OTDNINYDMYOUPP-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001275855637 808971260 /nfs/dbraw/zinc/97/12/60/808971260.db2.gz OTDNINYDMYOUPP-GOSISDBHSA-N 2 2 287.451 3.245 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)o1 ZINC001276148586 808991356 /nfs/dbraw/zinc/99/13/56/808991356.db2.gz KTINBHKEOBIDAH-QGZVFWFLSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)o1 ZINC001276148586 808991365 /nfs/dbraw/zinc/99/13/65/808991365.db2.gz KTINBHKEOBIDAH-QGZVFWFLSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)o1 ZINC001276148586 808991370 /nfs/dbraw/zinc/99/13/70/808991370.db2.gz KTINBHKEOBIDAH-QGZVFWFLSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)o1 ZINC001276148586 808991375 /nfs/dbraw/zinc/99/13/75/808991375.db2.gz KTINBHKEOBIDAH-QGZVFWFLSA-N 2 2 276.424 3.150 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630776 809021435 /nfs/dbraw/zinc/02/14/35/809021435.db2.gz MTHYUXKCEXGGNO-ZBFHGGJFSA-N 2 2 290.838 3.081 20 0 CGADLP C[N@H+]1CCC2(C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001276630776 809021438 /nfs/dbraw/zinc/02/14/38/809021438.db2.gz MTHYUXKCEXGGNO-ZBFHGGJFSA-N 2 2 290.838 3.081 20 0 CGADLP Cc1cccc(F)c1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276689053 809025265 /nfs/dbraw/zinc/02/52/65/809025265.db2.gz ZJNIFOBRHYUCDM-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276689053 809025270 /nfs/dbraw/zinc/02/52/70/809025270.db2.gz ZJNIFOBRHYUCDM-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276689053 809025275 /nfs/dbraw/zinc/02/52/75/809025275.db2.gz ZJNIFOBRHYUCDM-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001276689053 809025281 /nfs/dbraw/zinc/02/52/81/809025281.db2.gz ZJNIFOBRHYUCDM-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444433 809409122 /nfs/dbraw/zinc/40/91/22/809409122.db2.gz JASXNXIQFKCLRW-XOKHGSTOSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444433 809409125 /nfs/dbraw/zinc/40/91/25/809409125.db2.gz JASXNXIQFKCLRW-XOKHGSTOSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444433 809409128 /nfs/dbraw/zinc/40/91/28/809409128.db2.gz JASXNXIQFKCLRW-XOKHGSTOSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@@H]21 ZINC001175444433 809409131 /nfs/dbraw/zinc/40/91/31/809409131.db2.gz JASXNXIQFKCLRW-XOKHGSTOSA-N 2 2 290.838 3.353 20 0 CGADLP Cc1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001176378236 809682268 /nfs/dbraw/zinc/68/22/68/809682268.db2.gz IOQICKKJYGITMR-UHFFFAOYSA-N 2 2 297.402 3.008 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCF)C1 ZINC001176991275 809773470 /nfs/dbraw/zinc/77/34/70/809773470.db2.gz SCXIUNUSWLWHPV-CYBMUJFWSA-N 2 2 267.392 3.177 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001176991275 809773476 /nfs/dbraw/zinc/77/34/76/809773476.db2.gz SCXIUNUSWLWHPV-CYBMUJFWSA-N 2 2 267.392 3.177 20 0 CGADLP c1nc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2s1 ZINC001177303218 809793276 /nfs/dbraw/zinc/79/32/76/809793276.db2.gz GZMWGRJBRMFWFG-HIFRSBDPSA-N 2 2 287.432 3.013 20 0 CGADLP c1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2s1 ZINC001177303218 809793278 /nfs/dbraw/zinc/79/32/78/809793278.db2.gz GZMWGRJBRMFWFG-HIFRSBDPSA-N 2 2 287.432 3.013 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)[NH+](C)C)c(C)c1 ZINC001177737821 809818419 /nfs/dbraw/zinc/81/84/19/809818419.db2.gz URDOONDYOBEBKW-KXPUMZMLSA-N 2 2 260.425 3.165 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001179044310 809901541 /nfs/dbraw/zinc/90/15/41/809901541.db2.gz AMRUYKJEDNSYCO-QZTJIDSGSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001179044310 809901545 /nfs/dbraw/zinc/90/15/45/809901545.db2.gz AMRUYKJEDNSYCO-QZTJIDSGSA-N 2 2 272.436 3.410 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001179266914 809911814 /nfs/dbraw/zinc/91/18/14/809911814.db2.gz ZGJUBRZXXIHEMY-LBPRGKRZSA-N 2 2 284.831 3.169 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)[nH]1 ZINC001179849728 809951140 /nfs/dbraw/zinc/95/11/40/809951140.db2.gz HSKXHCFHEIGGNP-CYBMUJFWSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)[nH]1 ZINC001179849728 809951143 /nfs/dbraw/zinc/95/11/43/809951143.db2.gz HSKXHCFHEIGGNP-CYBMUJFWSA-N 2 2 298.415 3.399 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435368 810052599 /nfs/dbraw/zinc/05/25/99/810052599.db2.gz BYKLZJHJORHEDL-QCEMKRCNSA-N 2 2 264.457 3.131 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435368 810052602 /nfs/dbraw/zinc/05/26/02/810052602.db2.gz BYKLZJHJORHEDL-QCEMKRCNSA-N 2 2 264.457 3.131 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC001184206982 810183087 /nfs/dbraw/zinc/18/30/87/810183087.db2.gz PJNWIUJVQAYDPE-ZNMIVQPWSA-N 2 2 272.502 3.082 20 0 CGADLP C[Si](C)(C)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263894 811408705 /nfs/dbraw/zinc/40/87/05/811408705.db2.gz FPYPNOJVXPYYQN-HNNXBMFYSA-N 2 2 273.456 3.091 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001199207860 811563467 /nfs/dbraw/zinc/56/34/67/811563467.db2.gz DMKSJSOKRVXXOO-HNNXBMFYSA-N 2 2 283.419 3.404 20 0 CGADLP Cc1cn2c(cccc2Nc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001201384604 811822980 /nfs/dbraw/zinc/82/29/80/811822980.db2.gz KUIAPUMHBUAVQB-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621207 811921550 /nfs/dbraw/zinc/92/15/50/811921550.db2.gz ZXDHWDAXHDHNPH-GJZGRUSLSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621207 811921553 /nfs/dbraw/zinc/92/15/53/811921553.db2.gz ZXDHWDAXHDHNPH-GJZGRUSLSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201621207 811921558 /nfs/dbraw/zinc/92/15/58/811921558.db2.gz ZXDHWDAXHDHNPH-GJZGRUSLSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201621207 811921560 /nfs/dbraw/zinc/92/15/60/811921560.db2.gz ZXDHWDAXHDHNPH-GJZGRUSLSA-N 2 2 293.480 3.085 20 0 CGADLP CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201750252 811956856 /nfs/dbraw/zinc/95/68/56/811956856.db2.gz ISZCVPLHCQDJAV-CALCHBBNSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201750252 811956860 /nfs/dbraw/zinc/95/68/60/811956860.db2.gz ISZCVPLHCQDJAV-CALCHBBNSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201750252 811956868 /nfs/dbraw/zinc/95/68/68/811956868.db2.gz ISZCVPLHCQDJAV-CALCHBBNSA-N 2 2 287.451 3.026 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201750252 811956878 /nfs/dbraw/zinc/95/68/78/811956878.db2.gz ISZCVPLHCQDJAV-CALCHBBNSA-N 2 2 287.451 3.026 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203035260 812222873 /nfs/dbraw/zinc/22/28/73/812222873.db2.gz XJEXXYMIZZNAHM-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203035260 812222882 /nfs/dbraw/zinc/22/28/82/812222882.db2.gz XJEXXYMIZZNAHM-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(C)[nH+]1 ZINC001203242417 812277739 /nfs/dbraw/zinc/27/77/39/812277739.db2.gz AKAZYTNJQMFIJC-MRXNPFEDSA-N 2 2 299.418 3.072 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c(C)[nH+]1 ZINC001203242417 812277750 /nfs/dbraw/zinc/27/77/50/812277750.db2.gz AKAZYTNJQMFIJC-MRXNPFEDSA-N 2 2 299.418 3.072 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001203328495 812312513 /nfs/dbraw/zinc/31/25/13/812312513.db2.gz SOMRMLCUJZWDQK-IVSAIRAKSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001203328495 812312517 /nfs/dbraw/zinc/31/25/17/812312517.db2.gz SOMRMLCUJZWDQK-IVSAIRAKSA-N 2 2 262.441 3.172 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001203987761 812509447 /nfs/dbraw/zinc/50/94/47/812509447.db2.gz CMJNHUIFAJVJQZ-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001203987761 812509449 /nfs/dbraw/zinc/50/94/49/812509449.db2.gz CMJNHUIFAJVJQZ-UHFFFAOYSA-N 2 2 298.430 3.374 20 0 CGADLP CC[N@H+](Cc1ccc2ccccc2n1)C1CC[NH+](C)CC1 ZINC001204504718 812657028 /nfs/dbraw/zinc/65/70/28/812657028.db2.gz WSHIEHWMQCKPNT-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1ccc2ccccc2n1)C1CC[NH+](C)CC1 ZINC001204504718 812657030 /nfs/dbraw/zinc/65/70/30/812657030.db2.gz WSHIEHWMQCKPNT-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204801045 812740755 /nfs/dbraw/zinc/74/07/55/812740755.db2.gz IYGIXTYXGNRBPZ-FQEVSTJZSA-N 2 2 294.442 3.395 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204801045 812740761 /nfs/dbraw/zinc/74/07/61/812740761.db2.gz IYGIXTYXGNRBPZ-FQEVSTJZSA-N 2 2 294.442 3.395 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)o1 ZINC001204903922 812770203 /nfs/dbraw/zinc/77/02/03/812770203.db2.gz FRSAGPMZGJTBJD-QGZVFWFLSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)o1 ZINC001204903922 812770205 /nfs/dbraw/zinc/77/02/05/812770205.db2.gz FRSAGPMZGJTBJD-QGZVFWFLSA-N 2 2 282.387 3.178 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])s1 ZINC001204924819 812777518 /nfs/dbraw/zinc/77/75/18/812777518.db2.gz ALEZRXKOLXPGQE-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])s1 ZINC001204924819 812777525 /nfs/dbraw/zinc/77/75/25/812777525.db2.gz ALEZRXKOLXPGQE-LBPRGKRZSA-N 2 2 252.427 3.014 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001205018877 812828797 /nfs/dbraw/zinc/82/87/97/812828797.db2.gz ZNXUBFWXYHCHIT-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001205018877 812828805 /nfs/dbraw/zinc/82/88/05/812828805.db2.gz ZNXUBFWXYHCHIT-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP [NH3+]CC1CC[NH+](Cc2c(F)cc(Cl)cc2Cl)CC1 ZINC001205052766 812839815 /nfs/dbraw/zinc/83/98/15/812839815.db2.gz CKUNDXFVKSUYKT-UHFFFAOYSA-N 2 2 291.197 3.303 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205102442 812868057 /nfs/dbraw/zinc/86/80/57/812868057.db2.gz SFVLMCBOJUZVLV-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205102442 812868068 /nfs/dbraw/zinc/86/80/68/812868068.db2.gz SFVLMCBOJUZVLV-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001205150906 812887503 /nfs/dbraw/zinc/88/75/03/812887503.db2.gz MFLIKWNNHIKWKF-CMPLNLGQSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)cc1Cl ZINC001205150906 812887509 /nfs/dbraw/zinc/88/75/09/812887509.db2.gz MFLIKWNNHIKWKF-CMPLNLGQSA-N 2 2 287.234 3.328 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001205164718 812896004 /nfs/dbraw/zinc/89/60/04/812896004.db2.gz QBSSJHXUEZWWIQ-CRAIPNDOSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001205164718 812896014 /nfs/dbraw/zinc/89/60/14/812896014.db2.gz QBSSJHXUEZWWIQ-CRAIPNDOSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205272982 812924742 /nfs/dbraw/zinc/92/47/42/812924742.db2.gz BRABMIRLKCGAJI-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(F)c2Cl)CC1 ZINC001205272982 812924748 /nfs/dbraw/zinc/92/47/48/812924748.db2.gz BRABMIRLKCGAJI-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+]CC[C@H]2C)cnc1-c1ccccc1 ZINC001205340146 812962809 /nfs/dbraw/zinc/96/28/09/812962809.db2.gz OQJSUUILRKLCHK-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cnc1-c1ccccc1 ZINC001205340146 812962813 /nfs/dbraw/zinc/96/28/13/812962813.db2.gz OQJSUUILRKLCHK-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CCCc2ccccc2Cl)C1 ZINC001205803525 813084528 /nfs/dbraw/zinc/08/45/28/813084528.db2.gz HNGAJWDJPZDYLF-ZFWWWQNUSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205803525 813084537 /nfs/dbraw/zinc/08/45/37/813084537.db2.gz HNGAJWDJPZDYLF-ZFWWWQNUSA-N 2 2 280.843 3.332 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205814516 813092812 /nfs/dbraw/zinc/09/28/12/813092812.db2.gz CIYTXEMXVLCBRM-ZBFHGGJFSA-N 2 2 290.451 3.378 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205814516 813092819 /nfs/dbraw/zinc/09/28/19/813092819.db2.gz CIYTXEMXVLCBRM-ZBFHGGJFSA-N 2 2 290.451 3.378 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205855937 813110002 /nfs/dbraw/zinc/11/00/02/813110002.db2.gz QQMZFUMYCWTSLT-NHYWBVRUSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205855937 813110010 /nfs/dbraw/zinc/11/00/10/813110010.db2.gz QQMZFUMYCWTSLT-NHYWBVRUSA-N 2 2 264.388 3.002 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931141 813139460 /nfs/dbraw/zinc/13/94/60/813139460.db2.gz HLPYVBNPKGEHHY-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205931141 813139464 /nfs/dbraw/zinc/13/94/64/813139464.db2.gz HLPYVBNPKGEHHY-OAHLLOKOSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938089 813140491 /nfs/dbraw/zinc/14/04/91/813140491.db2.gz FKKUONWHAUMGDX-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205938089 813140493 /nfs/dbraw/zinc/14/04/93/813140493.db2.gz FKKUONWHAUMGDX-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001206006168 813162946 /nfs/dbraw/zinc/16/29/46/813162946.db2.gz SWUPJTGJYTUOBH-GOSISDBHSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001206006168 813162948 /nfs/dbraw/zinc/16/29/48/813162948.db2.gz SWUPJTGJYTUOBH-GOSISDBHSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001206006168 813162954 /nfs/dbraw/zinc/16/29/54/813162954.db2.gz SWUPJTGJYTUOBH-GOSISDBHSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001206006168 813162956 /nfs/dbraw/zinc/16/29/56/813162956.db2.gz SWUPJTGJYTUOBH-GOSISDBHSA-N 2 2 290.451 3.413 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]C[C@H](C)OC)[NH+](CC)CC)cc1 ZINC001206047811 813180641 /nfs/dbraw/zinc/18/06/41/813180641.db2.gz MEQMBOPVZBQEGP-MAUKXSAKSA-N 2 2 292.467 3.256 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206198181 813236145 /nfs/dbraw/zinc/23/61/45/813236145.db2.gz LJBOKPUPUHRANN-QWHCGFSZSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206198181 813236148 /nfs/dbraw/zinc/23/61/48/813236148.db2.gz LJBOKPUPUHRANN-QWHCGFSZSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Cl ZINC001206210518 813240980 /nfs/dbraw/zinc/24/09/80/813240980.db2.gz KOBSJIVVONGQBN-OLZOCXBDSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Cl ZINC001206210518 813240983 /nfs/dbraw/zinc/24/09/83/813240983.db2.gz KOBSJIVVONGQBN-OLZOCXBDSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206277966 813269136 /nfs/dbraw/zinc/26/91/36/813269136.db2.gz WWOXDGZZAFJYRP-INIZCTEOSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)c2)cc1 ZINC001206277966 813269143 /nfs/dbraw/zinc/26/91/43/813269143.db2.gz WWOXDGZZAFJYRP-INIZCTEOSA-N 2 2 295.430 3.098 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206369777 813305449 /nfs/dbraw/zinc/30/54/49/813305449.db2.gz HWTGCYOSQHKYRC-MRXNPFEDSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206369777 813305455 /nfs/dbraw/zinc/30/54/55/813305455.db2.gz HWTGCYOSQHKYRC-MRXNPFEDSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC001206776906 813434713 /nfs/dbraw/zinc/43/47/13/813434713.db2.gz IUGSNRSMESAXAI-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC2CCCC2)C1 ZINC001206776906 813434718 /nfs/dbraw/zinc/43/47/18/813434718.db2.gz IUGSNRSMESAXAI-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(C)s2)CC1 ZINC001207063811 813476003 /nfs/dbraw/zinc/47/60/03/813476003.db2.gz DTXQPABUGHAVTI-UHFFFAOYSA-N 2 2 281.469 3.148 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(C)s2)CC1 ZINC001207063811 813476004 /nfs/dbraw/zinc/47/60/04/813476004.db2.gz DTXQPABUGHAVTI-UHFFFAOYSA-N 2 2 281.469 3.148 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cncc(C)c2)CC1 ZINC001207161713 813502429 /nfs/dbraw/zinc/50/24/29/813502429.db2.gz KTXOBCUKKUZMCM-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cncc(C)c2)CC1 ZINC001207161713 813502432 /nfs/dbraw/zinc/50/24/32/813502432.db2.gz KTXOBCUKKUZMCM-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCCO1 ZINC001207186622 813510517 /nfs/dbraw/zinc/51/05/17/813510517.db2.gz XLYXONXLKZPGOS-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCCO1 ZINC001207186622 813510520 /nfs/dbraw/zinc/51/05/20/813510520.db2.gz XLYXONXLKZPGOS-SZMVWBNQSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCC1CCCCC1)C2 ZINC001207607323 813611885 /nfs/dbraw/zinc/61/18/85/813611885.db2.gz OVGYRXNMWLCFNX-UHFFFAOYSA-N 2 2 261.413 3.368 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCC1CCCCC1)C2 ZINC001207607323 813611888 /nfs/dbraw/zinc/61/18/88/813611888.db2.gz OVGYRXNMWLCFNX-UHFFFAOYSA-N 2 2 261.413 3.368 20 0 CGADLP Fc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001208770946 813838683 /nfs/dbraw/zinc/83/86/83/813838683.db2.gz PUWARYMEQWRBEU-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP Cc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]c1N ZINC001242689330 823101028 /nfs/dbraw/zinc/10/10/28/823101028.db2.gz ISMDQHYGZXXAGW-CQSZACIVSA-N 2 2 257.381 3.004 20 0 CGADLP C[NH2+]Cc1cccc(Nc2[nH+]c(C)ccc2C)c1F ZINC001216220161 815742056 /nfs/dbraw/zinc/74/20/56/815742056.db2.gz JUEGZQDVVDXANU-UHFFFAOYSA-N 2 2 259.328 3.301 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc3c(c2)[nH+]cn3C)c1F ZINC001216223943 815744464 /nfs/dbraw/zinc/74/44/64/815744464.db2.gz NVVFGYVGLAQIAH-UHFFFAOYSA-N 2 2 284.338 3.175 20 0 CGADLP c1cn2cccc(Nc3c[nH+]cn3Cc3ccccc3)c2[nH+]1 ZINC001216549631 815855083 /nfs/dbraw/zinc/85/50/83/815855083.db2.gz OAACEEZERYYOSH-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192550 816372184 /nfs/dbraw/zinc/37/21/84/816372184.db2.gz WWGKNKNNLMDGML-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222192550 816372196 /nfs/dbraw/zinc/37/21/96/816372196.db2.gz WWGKNKNNLMDGML-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Fc1ccc2[nH]cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222236818 816381223 /nfs/dbraw/zinc/38/12/23/816381223.db2.gz BJCNLQWDFPUHFD-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc2[nH]cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)c2c1 ZINC001222236818 816381232 /nfs/dbraw/zinc/38/12/32/816381232.db2.gz BJCNLQWDFPUHFD-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237523 816383206 /nfs/dbraw/zinc/38/32/06/816383206.db2.gz LRXFODRYTVUEHT-OAHLLOKOSA-N 2 2 298.352 3.423 20 0 CGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237523 816383217 /nfs/dbraw/zinc/38/32/17/816383217.db2.gz LRXFODRYTVUEHT-OAHLLOKOSA-N 2 2 298.352 3.423 20 0 CGADLP Cc1c2ccccc2sc1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335539 816410785 /nfs/dbraw/zinc/41/07/85/816410785.db2.gz TUXKRVQHBOCEKA-UHFFFAOYSA-N 2 2 286.444 3.395 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222420540 816439993 /nfs/dbraw/zinc/43/99/93/816439993.db2.gz DVYRDVFRKLFFDA-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222420540 816439998 /nfs/dbraw/zinc/43/99/98/816439998.db2.gz DVYRDVFRKLFFDA-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465536 816451650 /nfs/dbraw/zinc/45/16/50/816451650.db2.gz SXRDZVQOADWKJN-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1cccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC001222465536 816451652 /nfs/dbraw/zinc/45/16/52/816451652.db2.gz SXRDZVQOADWKJN-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231673981 818157063 /nfs/dbraw/zinc/15/70/63/818157063.db2.gz XOZIMJQDLCTYFJ-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1O ZINC001233234848 818549389 /nfs/dbraw/zinc/54/93/89/818549389.db2.gz FXPUFAUQKSHJOI-INIZCTEOSA-N 2 2 298.386 3.057 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036905 818986064 /nfs/dbraw/zinc/98/60/64/818986064.db2.gz ABJNHFXWIVZEJZ-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235036905 818986073 /nfs/dbraw/zinc/98/60/73/818986073.db2.gz ABJNHFXWIVZEJZ-GOSISDBHSA-N 2 2 288.435 3.193 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235171011 819023009 /nfs/dbraw/zinc/02/30/09/819023009.db2.gz MTOOIEVTINCHCY-QFBILLFUSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235171011 819023014 /nfs/dbraw/zinc/02/30/14/819023014.db2.gz MTOOIEVTINCHCY-QFBILLFUSA-N 2 2 296.389 3.416 20 0 CGADLP Oc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235190598 819029574 /nfs/dbraw/zinc/02/95/74/819029574.db2.gz XIHFZJLHYZSZMZ-UHFFFAOYSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235190598 819029577 /nfs/dbraw/zinc/02/95/77/819029577.db2.gz XIHFZJLHYZSZMZ-UHFFFAOYSA-N 2 2 294.826 3.154 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001235245503 819046897 /nfs/dbraw/zinc/04/68/97/819046897.db2.gz PMBCTZUHEUGMIW-NVXWUHKLSA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001235245503 819046901 /nfs/dbraw/zinc/04/69/01/819046901.db2.gz PMBCTZUHEUGMIW-NVXWUHKLSA-N 2 2 299.443 3.123 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256924 819053230 /nfs/dbraw/zinc/05/32/30/819053230.db2.gz HIHCFGDSUNNYOL-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256924 819053233 /nfs/dbraw/zinc/05/32/33/819053233.db2.gz HIHCFGDSUNNYOL-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC001235262933 819056053 /nfs/dbraw/zinc/05/60/53/819056053.db2.gz LUSKWRYBGXCDJC-GOEBONIOSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Cl ZINC001235262933 819056061 /nfs/dbraw/zinc/05/60/61/819056061.db2.gz LUSKWRYBGXCDJC-GOEBONIOSA-N 2 2 278.827 3.086 20 0 CGADLP Fc1ccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235674794 819135786 /nfs/dbraw/zinc/13/57/86/819135786.db2.gz PCMSVCPOLASWQH-KRWDZBQOSA-N 2 2 276.399 3.147 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2c(C)cc(F)cc2C)CC1 ZINC001235725650 819153196 /nfs/dbraw/zinc/15/31/96/819153196.db2.gz KXQMRURNIUMWJX-UHFFFAOYSA-N 2 2 264.388 3.016 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235840543 819182542 /nfs/dbraw/zinc/18/25/42/819182542.db2.gz NORQUDSZRQXDJE-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235840543 819182547 /nfs/dbraw/zinc/18/25/47/819182547.db2.gz NORQUDSZRQXDJE-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2s1 ZINC001235894018 819203332 /nfs/dbraw/zinc/20/33/32/819203332.db2.gz ZCMIYDVMQHWAIU-WCQYABFASA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001235894018 819203339 /nfs/dbraw/zinc/20/33/39/819203339.db2.gz ZCMIYDVMQHWAIU-WCQYABFASA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893647 819203391 /nfs/dbraw/zinc/20/33/91/819203391.db2.gz YBKMNLVIOSTSON-BXUZGUMPSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893647 819203396 /nfs/dbraw/zinc/20/33/96/819203396.db2.gz YBKMNLVIOSTSON-BXUZGUMPSA-N 2 2 286.341 3.060 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900200 819211093 /nfs/dbraw/zinc/21/10/93/819211093.db2.gz OXGWPECRHDVWGO-SYQHCUMBSA-N 2 2 290.373 3.190 20 0 CGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CC1 ZINC001235900200 819211098 /nfs/dbraw/zinc/21/10/98/819211098.db2.gz OXGWPECRHDVWGO-SYQHCUMBSA-N 2 2 290.373 3.190 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1C(C)C ZINC001235901802 819211666 /nfs/dbraw/zinc/21/16/66/819211666.db2.gz DZJFLIXCYQGDDD-GDBMZVCRSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1C(C)C ZINC001235901802 819211668 /nfs/dbraw/zinc/21/16/68/819211668.db2.gz DZJFLIXCYQGDDD-GDBMZVCRSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907742 819217882 /nfs/dbraw/zinc/21/78/82/819217882.db2.gz SUPMNBIDPQTGOU-TZMCWYRMSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907742 819217885 /nfs/dbraw/zinc/21/78/85/819217885.db2.gz SUPMNBIDPQTGOU-TZMCWYRMSA-N 2 2 287.382 3.132 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC001235925176 819223898 /nfs/dbraw/zinc/22/38/98/819223898.db2.gz KOULASONALJAHA-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC001235925176 819223903 /nfs/dbraw/zinc/22/39/03/819223903.db2.gz KOULASONALJAHA-LBPRGKRZSA-N 2 2 273.207 3.307 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235929236 819227645 /nfs/dbraw/zinc/22/76/45/819227645.db2.gz ITDMYUBWXCKJME-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235929236 819227651 /nfs/dbraw/zinc/22/76/51/819227651.db2.gz ITDMYUBWXCKJME-ZYHUDNBSSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935361 819230617 /nfs/dbraw/zinc/23/06/17/819230617.db2.gz UHOPBQAKBZRUTE-IEBWSBKVSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001235935361 819230622 /nfs/dbraw/zinc/23/06/22/819230622.db2.gz UHOPBQAKBZRUTE-IEBWSBKVSA-N 2 2 298.405 3.185 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235935694 819232795 /nfs/dbraw/zinc/23/27/95/819232795.db2.gz DYTSHVHUPBEETO-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235935694 819232802 /nfs/dbraw/zinc/23/28/02/819232802.db2.gz DYTSHVHUPBEETO-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947122 819235670 /nfs/dbraw/zinc/23/56/70/819235670.db2.gz HOYPEYNOHYIZEX-UHFFFAOYSA-N 2 2 275.223 3.471 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+](CC[NH3+])C(C)C ZINC001235947122 819235676 /nfs/dbraw/zinc/23/56/76/819235676.db2.gz HOYPEYNOHYIZEX-UHFFFAOYSA-N 2 2 275.223 3.471 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957437 819246225 /nfs/dbraw/zinc/24/62/25/819246225.db2.gz NYPASNWWAOTCRJ-CQSZACIVSA-N 2 2 280.843 3.388 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235957437 819246230 /nfs/dbraw/zinc/24/62/30/819246230.db2.gz NYPASNWWAOTCRJ-CQSZACIVSA-N 2 2 280.843 3.388 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959988 819247634 /nfs/dbraw/zinc/24/76/34/819247634.db2.gz QYNCYPDMMRHQRQ-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)Oc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235959988 819247643 /nfs/dbraw/zinc/24/76/43/819247643.db2.gz QYNCYPDMMRHQRQ-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CC[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007580 819272036 /nfs/dbraw/zinc/27/20/36/819272036.db2.gz OJTRXCXPBCAZJT-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007580 819272045 /nfs/dbraw/zinc/27/20/45/819272045.db2.gz OJTRXCXPBCAZJT-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236008751 819272280 /nfs/dbraw/zinc/27/22/80/819272280.db2.gz IVNAAIGGODWVCH-INIZCTEOSA-N 2 2 260.425 3.131 20 0 CGADLP CCc1cccc(C)c1C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236008751 819272287 /nfs/dbraw/zinc/27/22/87/819272287.db2.gz IVNAAIGGODWVCH-INIZCTEOSA-N 2 2 260.425 3.131 20 0 CGADLP CC[N@H+](Cc1cc(C)cc(SC)c1)[C@H]1CCC[NH2+]C1 ZINC001236010901 819274307 /nfs/dbraw/zinc/27/43/07/819274307.db2.gz TZQAKXHKWPEYPI-HNNXBMFYSA-N 2 2 278.465 3.291 20 0 CGADLP CC[N@@H+](Cc1cc(C)cc(SC)c1)[C@H]1CCC[NH2+]C1 ZINC001236010901 819274313 /nfs/dbraw/zinc/27/43/13/819274313.db2.gz TZQAKXHKWPEYPI-HNNXBMFYSA-N 2 2 278.465 3.291 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050384 819287170 /nfs/dbraw/zinc/28/71/70/819287170.db2.gz RLDIYRPUHMNXHL-OCCSQVGLSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050384 819287177 /nfs/dbraw/zinc/28/71/77/819287177.db2.gz RLDIYRPUHMNXHL-OCCSQVGLSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050394 819287491 /nfs/dbraw/zinc/28/74/91/819287491.db2.gz RNOQXNDKUUGZSN-RDTXWAMCSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050394 819287494 /nfs/dbraw/zinc/28/74/94/819287494.db2.gz RNOQXNDKUUGZSN-RDTXWAMCSA-N 2 2 297.446 3.075 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236050529 819287535 /nfs/dbraw/zinc/28/75/35/819287535.db2.gz UMLDDMMHBYCCPE-ZBFHGGJFSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236050529 819287541 /nfs/dbraw/zinc/28/75/41/819287541.db2.gz UMLDDMMHBYCCPE-ZBFHGGJFSA-N 2 2 298.430 3.408 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236173418 819354411 /nfs/dbraw/zinc/35/44/11/819354411.db2.gz NNJVJDDXQYSVEE-MRXNPFEDSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236173418 819354417 /nfs/dbraw/zinc/35/44/17/819354417.db2.gz NNJVJDDXQYSVEE-MRXNPFEDSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236169719 819354542 /nfs/dbraw/zinc/35/45/42/819354542.db2.gz FOAMKTQZHFJBHG-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236169719 819354548 /nfs/dbraw/zinc/35/45/48/819354548.db2.gz FOAMKTQZHFJBHG-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc2c(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c2c1 ZINC001236205167 819367655 /nfs/dbraw/zinc/36/76/55/819367655.db2.gz CHLLYGHCCGUCLI-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c2c1 ZINC001236205167 819367657 /nfs/dbraw/zinc/36/76/57/819367657.db2.gz CHLLYGHCCGUCLI-QGZVFWFLSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236206941 819369164 /nfs/dbraw/zinc/36/91/64/819369164.db2.gz MDCSHXDGETZGGZ-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236206941 819369168 /nfs/dbraw/zinc/36/91/68/819369168.db2.gz MDCSHXDGETZGGZ-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1CC ZINC001236205709 819369227 /nfs/dbraw/zinc/36/92/27/819369227.db2.gz GJEJEGNUUBKJBI-SFHVURJKSA-N 2 2 290.451 3.222 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1CC ZINC001236205709 819369232 /nfs/dbraw/zinc/36/92/32/819369232.db2.gz GJEJEGNUUBKJBI-SFHVURJKSA-N 2 2 290.451 3.222 20 0 CGADLP C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207586 819370274 /nfs/dbraw/zinc/37/02/74/819370274.db2.gz RCFPBWDMDSWKGG-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207586 819370281 /nfs/dbraw/zinc/37/02/81/819370281.db2.gz RCFPBWDMDSWKGG-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP C[N@H+](Cc1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212993 819373727 /nfs/dbraw/zinc/37/37/27/819373727.db2.gz AQAYXKKORXJIGG-OALUTQOASA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236212993 819373736 /nfs/dbraw/zinc/37/37/36/819373736.db2.gz AQAYXKKORXJIGG-OALUTQOASA-N 2 2 295.430 3.450 20 0 CGADLP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213223 819376133 /nfs/dbraw/zinc/37/61/33/819376133.db2.gz AOJMQGXKDLWYCT-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213223 819376138 /nfs/dbraw/zinc/37/61/38/819376138.db2.gz AOJMQGXKDLWYCT-KBPBESRZSA-N 2 2 270.779 3.181 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217611 819381713 /nfs/dbraw/zinc/38/17/13/819381713.db2.gz PKLKEJLOKQRIAS-KBPBESRZSA-N 2 2 282.815 3.050 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236217611 819381717 /nfs/dbraw/zinc/38/17/17/819381717.db2.gz PKLKEJLOKQRIAS-KBPBESRZSA-N 2 2 282.815 3.050 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216855 819381792 /nfs/dbraw/zinc/38/17/92/819381792.db2.gz LLWSJGTWYJHZHQ-CVEARBPZSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216855 819381794 /nfs/dbraw/zinc/38/17/94/819381794.db2.gz LLWSJGTWYJHZHQ-CVEARBPZSA-N 2 2 276.424 3.177 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217407 819383091 /nfs/dbraw/zinc/38/30/91/819383091.db2.gz OYUYVVWDJPOQNA-NWDGAFQWSA-N 2 2 258.818 3.103 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217407 819383094 /nfs/dbraw/zinc/38/30/94/819383094.db2.gz OYUYVVWDJPOQNA-NWDGAFQWSA-N 2 2 258.818 3.103 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219445 819385976 /nfs/dbraw/zinc/38/59/76/819385976.db2.gz WJGHAYDXZZHXEA-PBHICJAKSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219445 819385984 /nfs/dbraw/zinc/38/59/84/819385984.db2.gz WJGHAYDXZZHXEA-PBHICJAKSA-N 2 2 271.408 3.178 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238414 819398753 /nfs/dbraw/zinc/39/87/53/819398753.db2.gz FBKCQLZCJJQYCU-KRWDZBQOSA-N 2 2 297.446 3.378 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238414 819398756 /nfs/dbraw/zinc/39/87/56/819398756.db2.gz FBKCQLZCJJQYCU-KRWDZBQOSA-N 2 2 297.446 3.378 20 0 CGADLP CCC[N@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CC[NH2+]C1 ZINC001236325676 819426972 /nfs/dbraw/zinc/42/69/72/819426972.db2.gz BKRYBAMDGKEZHE-OAHLLOKOSA-N 2 2 278.465 3.291 20 0 CGADLP CCC[N@@H+](Cc1cc(C)cc(SC)c1)[C@@H]1CC[NH2+]C1 ZINC001236325676 819426975 /nfs/dbraw/zinc/42/69/75/819426975.db2.gz BKRYBAMDGKEZHE-OAHLLOKOSA-N 2 2 278.465 3.291 20 0 CGADLP CC/C=C\CCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334916 819428537 /nfs/dbraw/zinc/42/85/37/819428537.db2.gz SETNEFGLUIISQH-CHYADLBTSA-N 2 2 282.472 3.213 20 0 CGADLP CC/C=C\CCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334916 819428539 /nfs/dbraw/zinc/42/85/39/819428539.db2.gz SETNEFGLUIISQH-CHYADLBTSA-N 2 2 282.472 3.213 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236419259 819465607 /nfs/dbraw/zinc/46/56/07/819465607.db2.gz LDYHNAJIBZGRPY-YJBOKZPZSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236419259 819465608 /nfs/dbraw/zinc/46/56/08/819465608.db2.gz LDYHNAJIBZGRPY-YJBOKZPZSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001236420817 819467465 /nfs/dbraw/zinc/46/74/65/819467465.db2.gz OKHFCIGJDINWJU-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001236420817 819467469 /nfs/dbraw/zinc/46/74/69/819467469.db2.gz OKHFCIGJDINWJU-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236435123 819478153 /nfs/dbraw/zinc/47/81/53/819478153.db2.gz SFFDJIUIWIKXPL-LJQANCHMSA-N 2 2 298.405 3.150 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236435123 819478158 /nfs/dbraw/zinc/47/81/58/819478158.db2.gz SFFDJIUIWIKXPL-LJQANCHMSA-N 2 2 298.405 3.150 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469340 819490120 /nfs/dbraw/zinc/49/01/20/819490120.db2.gz RVKJJQBTHAMQGO-OAHLLOKOSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236469340 819490122 /nfs/dbraw/zinc/49/01/22/819490122.db2.gz RVKJJQBTHAMQGO-OAHLLOKOSA-N 2 2 266.816 3.302 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236615102 819553724 /nfs/dbraw/zinc/55/37/24/819553724.db2.gz FCGBMLIMGKJXEW-CQSZACIVSA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001236615102 819553730 /nfs/dbraw/zinc/55/37/30/819553730.db2.gz FCGBMLIMGKJXEW-CQSZACIVSA-N 2 2 287.234 3.473 20 0 CGADLP COC1CCC(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648376 819560268 /nfs/dbraw/zinc/56/02/68/819560268.db2.gz QXWFNRQGERMCOP-IIIMJFFVSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648376 819560272 /nfs/dbraw/zinc/56/02/72/819560272.db2.gz QXWFNRQGERMCOP-IIIMJFFVSA-N 2 2 294.483 3.188 20 0 CGADLP C(C1CCCC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646803 819560398 /nfs/dbraw/zinc/56/03/98/819560398.db2.gz IPRGPAOSRVKXQC-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP C(C1CCCC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646803 819560402 /nfs/dbraw/zinc/56/04/02/819560402.db2.gz IPRGPAOSRVKXQC-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[C@@H](C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C[C@H](C)O1 ZINC001236648333 819560521 /nfs/dbraw/zinc/56/05/21/819560521.db2.gz PSHUFHBZRGRZKE-KYHPRHEASA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[C@@H](C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C[C@H](C)O1 ZINC001236648333 819560526 /nfs/dbraw/zinc/56/05/26/819560526.db2.gz PSHUFHBZRGRZKE-KYHPRHEASA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001237001537 819643542 /nfs/dbraw/zinc/64/35/42/819643542.db2.gz XNIOBBNVXRAMSI-CXAGYDPISA-N 2 2 286.444 3.277 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001237001537 819643546 /nfs/dbraw/zinc/64/35/46/819643546.db2.gz XNIOBBNVXRAMSI-CXAGYDPISA-N 2 2 286.444 3.277 20 0 CGADLP C[N@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237025094 819646846 /nfs/dbraw/zinc/64/68/46/819646846.db2.gz BTUNYHJQCWODNF-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[N@@H+](Cc1ccccc1OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001237025094 819646850 /nfs/dbraw/zinc/64/68/50/819646850.db2.gz BTUNYHJQCWODNF-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237079826 819661737 /nfs/dbraw/zinc/66/17/37/819661737.db2.gz BWDCYFUNBAVCDY-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c1Cl ZINC001237079826 819661741 /nfs/dbraw/zinc/66/17/41/819661741.db2.gz BWDCYFUNBAVCDY-OAHLLOKOSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1c(F)c(F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001237161979 819684475 /nfs/dbraw/zinc/68/44/75/819684475.db2.gz NDRSZSMISNGOAA-UHFFFAOYSA-N 2 2 291.345 3.307 20 0 CGADLP COc1ccc(C)c(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237162104 819685904 /nfs/dbraw/zinc/68/59/04/819685904.db2.gz SDOWUDVZACERHS-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)c(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237162104 819685907 /nfs/dbraw/zinc/68/59/07/819685907.db2.gz SDOWUDVZACERHS-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1C(F)F ZINC001237276760 819715563 /nfs/dbraw/zinc/71/55/63/819715563.db2.gz NDKYUBMOFLTKFC-UHFFFAOYSA-N 2 2 286.366 3.016 20 0 CGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C(F)F ZINC001237276760 819715570 /nfs/dbraw/zinc/71/55/70/819715570.db2.gz NDKYUBMOFLTKFC-UHFFFAOYSA-N 2 2 286.366 3.016 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237389013 819741868 /nfs/dbraw/zinc/74/18/68/819741868.db2.gz FIYIQDRYWUISTO-RYUDHWBXSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237389013 819741871 /nfs/dbraw/zinc/74/18/71/819741871.db2.gz FIYIQDRYWUISTO-RYUDHWBXSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237389001 819742640 /nfs/dbraw/zinc/74/26/40/819742640.db2.gz FIYIQDRYWUISTO-NEPJUHHUSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237389001 819742645 /nfs/dbraw/zinc/74/26/45/819742645.db2.gz FIYIQDRYWUISTO-NEPJUHHUSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237411583 819747647 /nfs/dbraw/zinc/74/76/47/819747647.db2.gz GXSOBIINYAEMLN-CZUORRHYSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237411583 819747650 /nfs/dbraw/zinc/74/76/50/819747650.db2.gz GXSOBIINYAEMLN-CZUORRHYSA-N 2 2 278.827 3.222 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2cccnc12 ZINC001237433449 819751114 /nfs/dbraw/zinc/75/11/14/819751114.db2.gz GTMKVQSYEKAKTE-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2cccnc12 ZINC001237433449 819751120 /nfs/dbraw/zinc/75/11/20/819751120.db2.gz GTMKVQSYEKAKTE-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2nccc(C)c12 ZINC001237632157 819791601 /nfs/dbraw/zinc/79/16/01/819791601.db2.gz AOWHBRNGJVRHJR-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2nccc(C)c12 ZINC001237632157 819791602 /nfs/dbraw/zinc/79/16/02/819791602.db2.gz AOWHBRNGJVRHJR-UHFFFAOYSA-N 2 2 294.402 3.262 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237734615 819826742 /nfs/dbraw/zinc/82/67/42/819826742.db2.gz FXJOFSGAQQTBDF-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237734615 819826752 /nfs/dbraw/zinc/82/67/52/819826752.db2.gz FXJOFSGAQQTBDF-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001238120591 819937459 /nfs/dbraw/zinc/93/74/59/819937459.db2.gz YMBFABHUOSLPFK-KRWDZBQOSA-N 2 2 263.344 3.281 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CC[C@H]1c1ccccc1 ZINC001238120591 819937461 /nfs/dbraw/zinc/93/74/61/819937461.db2.gz YMBFABHUOSLPFK-KRWDZBQOSA-N 2 2 263.344 3.281 20 0 CGADLP CC[N@H+](Cc1cnc(C2CC2)c(C)c1)C1CC[NH+](C)CC1 ZINC001238617331 820064290 /nfs/dbraw/zinc/06/42/90/820064290.db2.gz KNPSUQNWTKZIHX-UHFFFAOYSA-N 2 2 287.451 3.184 20 0 CGADLP CC[N@@H+](Cc1cnc(C2CC2)c(C)c1)C1CC[NH+](C)CC1 ZINC001238617331 820064299 /nfs/dbraw/zinc/06/42/99/820064299.db2.gz KNPSUQNWTKZIHX-UHFFFAOYSA-N 2 2 287.451 3.184 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(C4CC4)c(C)c3)C[C@@H]2C1 ZINC001238630795 820067618 /nfs/dbraw/zinc/06/76/18/820067618.db2.gz HPPIBNNBDUKQIW-HDICACEKSA-N 2 2 299.462 3.041 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(C4CC4)c(C)c3)C[C@@H]2C1 ZINC001238630795 820067628 /nfs/dbraw/zinc/06/76/28/820067628.db2.gz HPPIBNNBDUKQIW-HDICACEKSA-N 2 2 299.462 3.041 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(C4CC4)c(C)c3)C[C@@H]2C1 ZINC001238630795 820067640 /nfs/dbraw/zinc/06/76/40/820067640.db2.gz HPPIBNNBDUKQIW-HDICACEKSA-N 2 2 299.462 3.041 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(C4CC4)c(C)c3)C[C@@H]2C1 ZINC001238630795 820067649 /nfs/dbraw/zinc/06/76/49/820067649.db2.gz HPPIBNNBDUKQIW-HDICACEKSA-N 2 2 299.462 3.041 20 0 CGADLP Cn1ccc2c1cc[nH+]c2-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243658530 823477116 /nfs/dbraw/zinc/47/71/16/823477116.db2.gz ZDXNRNOLEKPJRS-UHFFFAOYSA-N 2 2 288.354 3.485 20 0 CGADLP c1cn(Cc2ccc(-c3cccc4c3C[NH2+]C4)cc2)c[nH+]1 ZINC001243659518 823477688 /nfs/dbraw/zinc/47/76/88/823477688.db2.gz WZURBJQCPZNLSH-UHFFFAOYSA-N 2 2 275.355 3.202 20 0 CGADLP Cc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239741694 820564451 /nfs/dbraw/zinc/56/44/51/820564451.db2.gz KTBWAAUDBPVPJZ-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239741694 820564453 /nfs/dbraw/zinc/56/44/53/820564453.db2.gz KTBWAAUDBPVPJZ-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP c1cn2ccc(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001240511842 821106630 /nfs/dbraw/zinc/10/66/30/821106630.db2.gz KFYXQEAHIHIWNE-QGZVFWFLSA-N 2 2 277.371 3.468 20 0 CGADLP CC[NH+](CC)Cc1cncc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241248600 821669954 /nfs/dbraw/zinc/66/99/54/821669954.db2.gz SANYJSZTUCSVNR-UHFFFAOYSA-N 2 2 298.434 3.360 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2/C=C/Cc2ccccc2)C1 ZINC001242142934 822892419 /nfs/dbraw/zinc/89/24/19/822892419.db2.gz KTGJWHDQPXRVAI-VLUHHTHFSA-N 2 2 292.426 3.476 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2/C=C/Cc2ccccc2)C1 ZINC001242142934 822892422 /nfs/dbraw/zinc/89/24/22/822892422.db2.gz KTGJWHDQPXRVAI-VLUHHTHFSA-N 2 2 292.426 3.476 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC001342766070 936478557 /nfs/dbraw/zinc/47/85/57/936478557.db2.gz FVROPRUTFAPLBQ-JSGCOSHPSA-N 2 2 298.390 3.341 20 0 CGADLP CCc1ccc(NC2CC[NH+](C3CCCC3)CC2)[nH+]c1 ZINC001354119712 937090502 /nfs/dbraw/zinc/09/05/02/937090502.db2.gz DKKYDCLUJQVORK-UHFFFAOYSA-N 2 2 273.424 3.463 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001354710007 937110916 /nfs/dbraw/zinc/11/09/16/937110916.db2.gz NWVAWIQVEQLDOD-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001354710007 937110919 /nfs/dbraw/zinc/11/09/19/937110919.db2.gz NWVAWIQVEQLDOD-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001117572405 931941695 /nfs/dbraw/zinc/94/16/95/931941695.db2.gz HWWUPFSUSMOLNV-ZWKOTPCHSA-N 2 2 287.451 3.285 20 0 CGADLP COc1ccc2cc(NC[C@@H]3CCC[NH2+]C[C@H]3C)[nH+]cc2c1 ZINC001162452244 931989821 /nfs/dbraw/zinc/98/98/21/931989821.db2.gz CUZHNHACXXQYFY-HIFRSBDPSA-N 2 2 299.418 3.291 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001461045510 937559454 /nfs/dbraw/zinc/55/94/54/937559454.db2.gz QMDPEPFMFFVGBT-WCVJEAGWSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001461045510 937559457 /nfs/dbraw/zinc/55/94/57/937559457.db2.gz QMDPEPFMFFVGBT-WCVJEAGWSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC001461045503 937561321 /nfs/dbraw/zinc/56/13/21/937561321.db2.gz QMDPEPFMFFVGBT-CAOSSQGBSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C[C@@H](C)C1 ZINC001461045503 937561323 /nfs/dbraw/zinc/56/13/23/937561323.db2.gz QMDPEPFMFFVGBT-CAOSSQGBSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCC(C)CC1 ZINC001461119728 937564700 /nfs/dbraw/zinc/56/47/00/937564700.db2.gz HZMKVOSVWOVMMG-MWDXBVQZSA-N 2 2 264.457 3.275 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(OC2CC[NH+](C3CC3)CC2)cc1 ZINC001231082856 932674659 /nfs/dbraw/zinc/67/46/59/932674659.db2.gz UUBFYSOMXXLBPB-UHFFFAOYSA-N 2 2 297.402 3.093 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCCC1 ZINC001462427584 937640850 /nfs/dbraw/zinc/64/08/50/937640850.db2.gz LDKJGXJJJXDQES-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC001462592572 937652670 /nfs/dbraw/zinc/65/26/70/937652670.db2.gz MWCLCFXJRPGIIE-WMLDXEAASA-N 2 2 274.452 3.209 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC001462592572 937652671 /nfs/dbraw/zinc/65/26/71/937652671.db2.gz MWCLCFXJRPGIIE-WMLDXEAASA-N 2 2 274.452 3.209 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001308475417 933115716 /nfs/dbraw/zinc/11/57/16/933115716.db2.gz PUVIXQJRRXFZDI-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001308475417 933115717 /nfs/dbraw/zinc/11/57/17/933115717.db2.gz PUVIXQJRRXFZDI-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP C[C@H]1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C[C@H](C)C1 ZINC001308485057 933118959 /nfs/dbraw/zinc/11/89/59/933118959.db2.gz ZJHMKOMAVNKBGS-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C[C@H](C)C1 ZINC001308485057 933118961 /nfs/dbraw/zinc/11/89/61/933118961.db2.gz ZJHMKOMAVNKBGS-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001473768289 937821128 /nfs/dbraw/zinc/82/11/28/937821128.db2.gz ADPYDXQFLNTNPE-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001473768289 937821130 /nfs/dbraw/zinc/82/11/30/937821130.db2.gz ADPYDXQFLNTNPE-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001473768289 937821132 /nfs/dbraw/zinc/82/11/32/937821132.db2.gz ADPYDXQFLNTNPE-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724807 937819211 /nfs/dbraw/zinc/81/92/11/937819211.db2.gz GXGMGTRTGUIGQD-CSMYWGQOSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724807 937819212 /nfs/dbraw/zinc/81/92/12/937819212.db2.gz GXGMGTRTGUIGQD-CSMYWGQOSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724807 937819213 /nfs/dbraw/zinc/81/92/13/937819213.db2.gz GXGMGTRTGUIGQD-CSMYWGQOSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CC[C@H]21 ZINC001473724807 937819214 /nfs/dbraw/zinc/81/92/14/937819214.db2.gz GXGMGTRTGUIGQD-CSMYWGQOSA-N 2 2 290.838 3.353 20 0 CGADLP Cc1ccccc1NC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC001327772721 935084126 /nfs/dbraw/zinc/08/41/26/935084126.db2.gz OACDPHIQDGMCCY-UHFFFAOYSA-N 2 2 297.406 3.219 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001330639084 935306101 /nfs/dbraw/zinc/30/61/01/935306101.db2.gz QBGGZAKVFGYQEW-UHFFFAOYSA-N 2 2 287.451 3.273 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001473768289 937821127 /nfs/dbraw/zinc/82/11/27/937821127.db2.gz ADPYDXQFLNTNPE-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001474671525 937874038 /nfs/dbraw/zinc/87/40/38/937874038.db2.gz XTUHRWICOGYBSH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001474671525 937874040 /nfs/dbraw/zinc/87/40/40/937874040.db2.gz XTUHRWICOGYBSH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001474671525 937874043 /nfs/dbraw/zinc/87/40/43/937874043.db2.gz XTUHRWICOGYBSH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001474671525 937874044 /nfs/dbraw/zinc/87/40/44/937874044.db2.gz XTUHRWICOGYBSH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cs1 ZINC001548847633 938152321 /nfs/dbraw/zinc/15/23/21/938152321.db2.gz DKLRZLDODQPSPG-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)cs1 ZINC001548847633 938152322 /nfs/dbraw/zinc/15/23/22/938152322.db2.gz DKLRZLDODQPSPG-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001548847659 938152335 /nfs/dbraw/zinc/15/23/35/938152335.db2.gz JICSOZBSHHDATD-HNNXBMFYSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001548847659 938152336 /nfs/dbraw/zinc/15/23/36/938152336.db2.gz JICSOZBSHHDATD-HNNXBMFYSA-N 2 2 299.418 3.117 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001548900648 938153586 /nfs/dbraw/zinc/15/35/86/938153586.db2.gz RQXRLTKAGCELSY-AWEZNQCLSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001548900648 938153587 /nfs/dbraw/zinc/15/35/87/938153587.db2.gz RQXRLTKAGCELSY-AWEZNQCLSA-N 2 2 297.393 3.425 20 0 CGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550059842 938162491 /nfs/dbraw/zinc/16/24/91/938162491.db2.gz VDNVBFBYDNOPNT-SFHVURJKSA-N 2 2 297.446 3.459 20 0 CGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001550059842 938162492 /nfs/dbraw/zinc/16/24/92/938162492.db2.gz VDNVBFBYDNOPNT-SFHVURJKSA-N 2 2 297.446 3.459 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC001551377365 938180412 /nfs/dbraw/zinc/18/04/12/938180412.db2.gz HMJLYIKFNUEBIA-NZVBXONLSA-N 2 2 258.390 3.023 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cs1 ZINC001551376761 938180464 /nfs/dbraw/zinc/18/04/64/938180464.db2.gz CBDOQTYCPYLLFY-UVBJJODRSA-N 2 2 272.417 3.332 20 0 CGADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)CC1CCCCC1 ZINC001560249640 938248973 /nfs/dbraw/zinc/24/89/73/938248973.db2.gz XPUSVMAYMHYPNL-OAHLLOKOSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@@H](C[NH2+]CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001560298878 938251639 /nfs/dbraw/zinc/25/16/39/938251639.db2.gz WSDRQGYIAQOTCP-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(c2cccnc2)CC1 ZINC001575130281 962355317 /nfs/dbraw/zinc/35/53/17/962355317.db2.gz IOPIUNWIPJXKQB-KRWDZBQOSA-N 2 2 289.467 3.415 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001579795396 962669159 /nfs/dbraw/zinc/66/91/59/962669159.db2.gz QPVYNNSPUCHTRN-GXTWGEPZSA-N 2 2 286.341 3.412 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)(F)F ZINC001579795396 962669171 /nfs/dbraw/zinc/66/91/71/962669171.db2.gz QPVYNNSPUCHTRN-GXTWGEPZSA-N 2 2 286.341 3.412 20 0 CGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC001579800736 962675844 /nfs/dbraw/zinc/67/58/44/962675844.db2.gz YRKNNKKHOLXKTF-INIZCTEOSA-N 2 2 268.404 3.344 20 0 CGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC001579800736 962675857 /nfs/dbraw/zinc/67/58/57/962675857.db2.gz YRKNNKKHOLXKTF-INIZCTEOSA-N 2 2 268.404 3.344 20 0 CGADLP [NH3+]CC1(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC001580244402 962707371 /nfs/dbraw/zinc/70/73/71/962707371.db2.gz WFOQFXIWGNLQFE-AWEZNQCLSA-N 2 2 264.800 3.216 20 0 CGADLP [NH3+]CC1(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC001580244402 962707391 /nfs/dbraw/zinc/70/73/91/962707391.db2.gz WFOQFXIWGNLQFE-AWEZNQCLSA-N 2 2 264.800 3.216 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1c1ccccc1 ZINC001580395216 962716319 /nfs/dbraw/zinc/71/63/19/962716319.db2.gz KEBSVZRUEDUDMH-VQTJNVASSA-N 2 2 292.426 3.102 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1c1ccccc1 ZINC001580395216 962716328 /nfs/dbraw/zinc/71/63/28/962716328.db2.gz KEBSVZRUEDUDMH-VQTJNVASSA-N 2 2 292.426 3.102 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294952563 199268132 /nfs/dbraw/zinc/26/81/32/199268132.db2.gz CEMAHDGWNSZLGL-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294952563 199268134 /nfs/dbraw/zinc/26/81/34/199268134.db2.gz CEMAHDGWNSZLGL-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000337384632 214045014 /nfs/dbraw/zinc/04/50/14/214045014.db2.gz GPXHWUGUFJPTSR-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000337384632 214045015 /nfs/dbraw/zinc/04/50/15/214045015.db2.gz GPXHWUGUFJPTSR-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000124362372 187134289 /nfs/dbraw/zinc/13/42/89/187134289.db2.gz XZCYSGAHTSHPDG-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000124362372 187134290 /nfs/dbraw/zinc/13/42/90/187134290.db2.gz XZCYSGAHTSHPDG-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)s1 ZINC000621331482 349498097 /nfs/dbraw/zinc/49/80/97/349498097.db2.gz CFGOXKWXNWRGOF-ZDUSSCGKSA-N 2 2 277.437 3.323 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337458878 214095550 /nfs/dbraw/zinc/09/55/50/214095550.db2.gz JVLVEGJQOFTEIN-KGLIPLIRSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337458878 214095552 /nfs/dbraw/zinc/09/55/52/214095552.db2.gz JVLVEGJQOFTEIN-KGLIPLIRSA-N 2 2 250.430 3.029 20 0 CGADLP CC1CC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000621383055 349514669 /nfs/dbraw/zinc/51/46/69/349514669.db2.gz ONJGMMHYXJPJMC-UHFFFAOYSA-N 2 2 255.365 3.008 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000651225588 398218547 /nfs/dbraw/zinc/21/85/47/398218547.db2.gz UEYSFNVZLVBPRE-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000651225588 398218548 /nfs/dbraw/zinc/21/85/48/398218548.db2.gz UEYSFNVZLVBPRE-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000337506588 214128417 /nfs/dbraw/zinc/12/84/17/214128417.db2.gz FYBAVMCRPWKTLN-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000337506588 214128420 /nfs/dbraw/zinc/12/84/20/214128420.db2.gz FYBAVMCRPWKTLN-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337505940 214128751 /nfs/dbraw/zinc/12/87/51/214128751.db2.gz FJPCCWIJVCAPJG-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337505940 214128753 /nfs/dbraw/zinc/12/87/53/214128753.db2.gz FJPCCWIJVCAPJG-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000125208587 187174954 /nfs/dbraw/zinc/17/49/54/187174954.db2.gz CPJPJKXCOXOQKI-MRXNPFEDSA-N 2 2 299.374 3.153 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651707957 398272856 /nfs/dbraw/zinc/27/28/56/398272856.db2.gz AUAPZSFBJKMEJP-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651707957 398272858 /nfs/dbraw/zinc/27/28/58/398272858.db2.gz AUAPZSFBJKMEJP-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCCSCc1ccccc1)C2 ZINC000590600221 346853980 /nfs/dbraw/zinc/85/39/80/346853980.db2.gz NCSNMLDDDYBWND-UHFFFAOYSA-N 2 2 287.432 3.091 20 0 CGADLP c1[nH]c2c([nH+]1)CC[N@H+](CCCSCc1ccccc1)C2 ZINC000590600221 346853985 /nfs/dbraw/zinc/85/39/85/346853985.db2.gz NCSNMLDDDYBWND-UHFFFAOYSA-N 2 2 287.432 3.091 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CC[NH2+]C3)CCC2)cc1 ZINC000622043456 349623144 /nfs/dbraw/zinc/62/31/44/349623144.db2.gz BDOFMNYRCAISBJ-CYBMUJFWSA-N 2 2 284.325 3.036 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337995584 214350627 /nfs/dbraw/zinc/35/06/27/214350627.db2.gz NPPCPQHIDLMMDN-JKSUJKDBSA-N 2 2 273.424 3.442 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C4CCC4)CC3)n2c1 ZINC000651959182 398312644 /nfs/dbraw/zinc/31/26/44/398312644.db2.gz BNLVRZJXJQDAEJ-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP CC(C)C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1 ZINC000652207735 398327149 /nfs/dbraw/zinc/32/71/49/398327149.db2.gz RWGILAMZJHPOIY-KRWDZBQOSA-N 2 2 289.398 3.479 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423484673 529453915 /nfs/dbraw/zinc/45/39/15/529453915.db2.gz YSTPWXUASQELGP-ZWKOTPCHSA-N 2 2 268.404 3.411 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(C)ccc1OC ZINC000414127078 529607568 /nfs/dbraw/zinc/60/75/68/529607568.db2.gz PFWYXSWVYNNZDK-INIZCTEOSA-N 2 2 287.407 3.021 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089385 349758466 /nfs/dbraw/zinc/75/84/66/349758466.db2.gz FPXBWVIJQRFSNV-GXTWGEPZSA-N 2 2 288.426 3.378 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423229584 529612904 /nfs/dbraw/zinc/61/29/04/529612904.db2.gz BPOCIDMDBIKGJQ-JSGCOSHPSA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1F ZINC000423356631 529673508 /nfs/dbraw/zinc/67/35/08/529673508.db2.gz GZHFKFQWXWOGBL-LKTVYLICSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000350950279 219072223 /nfs/dbraw/zinc/07/22/23/219072223.db2.gz MJTVCCGENCOMEK-VGWMRTNUSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000350950279 219072225 /nfs/dbraw/zinc/07/22/25/219072225.db2.gz MJTVCCGENCOMEK-VGWMRTNUSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000358025991 529681946 /nfs/dbraw/zinc/68/19/46/529681946.db2.gz SURGTDVJDNBBIE-QGZVFWFLSA-N 2 2 275.440 3.070 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405700 349800958 /nfs/dbraw/zinc/80/09/58/349800958.db2.gz VPUXHHFXYUWRCT-HOCLYGCPSA-N 2 2 288.435 3.199 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405700 349800962 /nfs/dbraw/zinc/80/09/62/349800962.db2.gz VPUXHHFXYUWRCT-HOCLYGCPSA-N 2 2 288.435 3.199 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000273159547 192061562 /nfs/dbraw/zinc/06/15/62/192061562.db2.gz KATVPBUFXORRRE-HUUCEWRRSA-N 2 2 287.407 3.248 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)on1 ZINC000591709163 346933745 /nfs/dbraw/zinc/93/37/45/346933745.db2.gz UTCHREABAHRYFT-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431336 349807805 /nfs/dbraw/zinc/80/78/05/349807805.db2.gz BGESSPMBCULPSA-CHWSQXEVSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431336 349807808 /nfs/dbraw/zinc/80/78/08/349807808.db2.gz BGESSPMBCULPSA-CHWSQXEVSA-N 2 2 294.414 3.358 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867649 346944177 /nfs/dbraw/zinc/94/41/77/346944177.db2.gz QPOKGVBRGKJRMK-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867649 346944179 /nfs/dbraw/zinc/94/41/79/346944179.db2.gz QPOKGVBRGKJRMK-OAHLLOKOSA-N 2 2 287.432 3.442 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478212 349816907 /nfs/dbraw/zinc/81/69/07/349816907.db2.gz DDAIWOKNGHZLOV-VXGBXAGGSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478212 349816909 /nfs/dbraw/zinc/81/69/09/349816909.db2.gz DDAIWOKNGHZLOV-VXGBXAGGSA-N 2 2 282.378 3.488 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427863830 529722265 /nfs/dbraw/zinc/72/22/65/529722265.db2.gz ZPNKGZUYISKHPW-XJKSGUPXSA-N 2 2 269.392 3.111 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1CCc3ccccc3CC1)CCC2 ZINC000623593503 349843284 /nfs/dbraw/zinc/84/32/84/349843284.db2.gz OCFNCWXIENAZDM-UHFFFAOYSA-N 2 2 295.430 3.114 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CCCCO1 ZINC000623874294 349901761 /nfs/dbraw/zinc/90/17/61/349901761.db2.gz FHTGAEKURACBMU-CJNGLKHVSA-N 2 2 287.407 3.043 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000423224620 529978739 /nfs/dbraw/zinc/97/87/39/529978739.db2.gz JOWYKVFTNBOXTD-GFCCVEGCSA-N 2 2 260.406 3.285 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000040767756 344965895 /nfs/dbraw/zinc/96/58/95/344965895.db2.gz FDMPTCONZRQZTN-INIZCTEOSA-N 2 2 290.451 3.092 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045106227 345020741 /nfs/dbraw/zinc/02/07/41/345020741.db2.gz BNXOFWDXUDOIGF-OAHLLOKOSA-N 2 2 257.381 3.323 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000086584669 232179170 /nfs/dbraw/zinc/17/91/70/232179170.db2.gz BWLGFJNPJYOCOF-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000086584669 232179173 /nfs/dbraw/zinc/17/91/73/232179173.db2.gz BWLGFJNPJYOCOF-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000090046648 345778587 /nfs/dbraw/zinc/77/85/87/345778587.db2.gz ZARQDYMYBMKOEC-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000092740688 345856094 /nfs/dbraw/zinc/85/60/94/345856094.db2.gz IDBLQJRYJHBBPU-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093370010 345877028 /nfs/dbraw/zinc/87/70/28/345877028.db2.gz QTLACGLOSKRQSU-LBPRGKRZSA-N 2 2 293.480 3.157 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000093692682 345884945 /nfs/dbraw/zinc/88/49/45/345884945.db2.gz SGMTVDADMUDGRW-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000093692682 345884948 /nfs/dbraw/zinc/88/49/48/345884948.db2.gz SGMTVDADMUDGRW-LBPRGKRZSA-N 2 2 270.804 3.097 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]cccc1OC ZINC000127738767 346033888 /nfs/dbraw/zinc/03/38/88/346033888.db2.gz SQELSNYOIYLYQW-ZDUSSCGKSA-N 2 2 265.401 3.013 20 0 CGADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000213921523 346288004 /nfs/dbraw/zinc/28/80/04/346288004.db2.gz YQZRZVPUHGSVPK-SNVBAGLBSA-N 2 2 260.303 3.047 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000213921523 346288009 /nfs/dbraw/zinc/28/80/09/346288009.db2.gz YQZRZVPUHGSVPK-SNVBAGLBSA-N 2 2 260.303 3.047 20 0 CGADLP C[C@@H](F)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000351723359 219186893 /nfs/dbraw/zinc/18/68/93/219186893.db2.gz ZEVBQMMKJZKNFH-CQSZACIVSA-N 2 2 266.404 3.235 20 0 CGADLP C[C@@H](F)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000351723359 219186895 /nfs/dbraw/zinc/18/68/95/219186895.db2.gz ZEVBQMMKJZKNFH-CQSZACIVSA-N 2 2 266.404 3.235 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252146463 346390129 /nfs/dbraw/zinc/39/01/29/346390129.db2.gz NZFGYIUOLWYVQX-QKPAOTATSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252146463 346390133 /nfs/dbraw/zinc/39/01/33/346390133.db2.gz NZFGYIUOLWYVQX-QKPAOTATSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc2ccncc2s1 ZINC000624101470 349970554 /nfs/dbraw/zinc/97/05/54/349970554.db2.gz HVPYMVHXLTXSNJ-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc2ccncc2s1 ZINC000624101470 349970555 /nfs/dbraw/zinc/97/05/55/349970555.db2.gz HVPYMVHXLTXSNJ-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101167 349970746 /nfs/dbraw/zinc/97/07/46/349970746.db2.gz NWUKVJUHFNLFBE-DZGCQCFKSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101167 349970747 /nfs/dbraw/zinc/97/07/47/349970747.db2.gz NWUKVJUHFNLFBE-DZGCQCFKSA-N 2 2 278.465 3.023 20 0 CGADLP C[C@]1([NH2+]Cc2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406006402 346603985 /nfs/dbraw/zinc/60/39/85/346603985.db2.gz PRPRSDYHNNKAJA-IBGZPJMESA-N 2 2 296.414 3.146 20 0 CGADLP C[C@]1([NH2+]Cc2cccc(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406006402 346603986 /nfs/dbraw/zinc/60/39/86/346603986.db2.gz PRPRSDYHNNKAJA-IBGZPJMESA-N 2 2 296.414 3.146 20 0 CGADLP c1[nH]cc(C2CC[NH+](CC3Cc4ccccc4C3)CC2)[nH+]1 ZINC000584871334 346720176 /nfs/dbraw/zinc/72/01/76/346720176.db2.gz TYFMCSAKGNPGNC-UHFFFAOYSA-N 2 2 281.403 3.004 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229090 282522404 /nfs/dbraw/zinc/52/24/04/282522404.db2.gz AGGAJVYBKUUVOI-TVQRCGJNSA-N 2 2 285.218 3.322 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804217 233009874 /nfs/dbraw/zinc/00/98/74/233009874.db2.gz XLJCZWCOKNGXHM-SCLBCKFNSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804217 233009877 /nfs/dbraw/zinc/00/98/77/233009877.db2.gz XLJCZWCOKNGXHM-SCLBCKFNSA-N 2 2 270.420 3.136 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000351973171 219270502 /nfs/dbraw/zinc/27/05/02/219270502.db2.gz BBOZSJOFENYGAW-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000351973171 219270505 /nfs/dbraw/zinc/27/05/05/219270505.db2.gz BBOZSJOFENYGAW-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000351973171 219270507 /nfs/dbraw/zinc/27/05/07/219270507.db2.gz BBOZSJOFENYGAW-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000351973171 219270510 /nfs/dbraw/zinc/27/05/10/219270510.db2.gz BBOZSJOFENYGAW-WBVHZDCISA-N 2 2 290.476 3.325 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339510763 215221614 /nfs/dbraw/zinc/22/16/14/215221614.db2.gz FXSIMNBELARWSZ-NYCLONFESA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339510763 215221617 /nfs/dbraw/zinc/22/16/17/215221617.db2.gz FXSIMNBELARWSZ-NYCLONFESA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2sccc21 ZINC000624271851 350015734 /nfs/dbraw/zinc/01/57/34/350015734.db2.gz IEQQAVIJVSHYDX-OBJOEFQTSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2sccc21 ZINC000624271851 350015737 /nfs/dbraw/zinc/01/57/37/350015737.db2.gz IEQQAVIJVSHYDX-OBJOEFQTSA-N 2 2 264.438 3.370 20 0 CGADLP COc1ccccc1/C=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271218883 191009492 /nfs/dbraw/zinc/00/94/92/191009492.db2.gz ZITZLRVEKQLQCD-GQCTYLIASA-N 2 2 297.402 3.311 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625268608 350149279 /nfs/dbraw/zinc/14/92/79/350149279.db2.gz PYHYZDWUWLFRPT-GJZGRUSLSA-N 2 2 263.429 3.426 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625268608 350149280 /nfs/dbraw/zinc/14/92/80/350149280.db2.gz PYHYZDWUWLFRPT-GJZGRUSLSA-N 2 2 263.429 3.426 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000271281620 191048695 /nfs/dbraw/zinc/04/86/95/191048695.db2.gz PLKSKZPPQFAQCQ-PBHICJAKSA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000271281620 191048696 /nfs/dbraw/zinc/04/86/96/191048696.db2.gz PLKSKZPPQFAQCQ-PBHICJAKSA-N 2 2 299.418 3.283 20 0 CGADLP Fc1cccc(F)c1C1([NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000626179098 350278123 /nfs/dbraw/zinc/27/81/23/350278123.db2.gz VLAVVQBHTBPKEN-UHFFFAOYSA-N 2 2 291.345 3.220 20 0 CGADLP c1cc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc2[nH]1 ZINC000628176642 350424046 /nfs/dbraw/zinc/42/40/46/350424046.db2.gz RWGDVJCCASSQDQ-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000628225712 350449115 /nfs/dbraw/zinc/44/91/15/350449115.db2.gz LPYRCQYZCGFCCM-DOTOQJQBSA-N 2 2 292.492 3.125 20 0 CGADLP C[C@@]1(C[NH2+]CCCCNc2cccc[nH+]2)CCCS1 ZINC000628211679 350442615 /nfs/dbraw/zinc/44/26/15/350442615.db2.gz YEWZOMASUBEXFE-HNNXBMFYSA-N 2 2 279.453 3.149 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000629526391 350702139 /nfs/dbraw/zinc/70/21/39/350702139.db2.gz SJPICZWGIDOIMU-DDTOSNHZSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000629527440 350703123 /nfs/dbraw/zinc/70/31/23/350703123.db2.gz VTGZNJMHXFBBMU-RRFJBIMHSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537655 350705888 /nfs/dbraw/zinc/70/58/88/350705888.db2.gz LSPQSMQCQLUCQF-MDZLAQPJSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000629543280 350708359 /nfs/dbraw/zinc/70/83/59/350708359.db2.gz XWTUDEAEPUHAAJ-UGFHNGPFSA-N 2 2 250.361 3.007 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc2cc1C ZINC000629548461 350710103 /nfs/dbraw/zinc/71/01/03/350710103.db2.gz OYFNIVHXDKARQD-GZBFAFLISA-N 2 2 272.392 3.451 20 0 CGADLP C[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000629551279 350711794 /nfs/dbraw/zinc/71/17/94/350711794.db2.gz SUUZMDCLOPRFQV-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000629390392 350687818 /nfs/dbraw/zinc/68/78/18/350687818.db2.gz QNIFIPIGTPXQDT-DLBZAZTESA-N 2 2 284.403 3.079 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(OC(F)F)cc1C ZINC000629411156 350690054 /nfs/dbraw/zinc/69/00/54/350690054.db2.gz IHJQEDPASAWUCI-OCCSQVGLSA-N 2 2 298.377 3.135 20 0 CGADLP CCC[N@@H+](Cc1cc(O)ccc1Cl)C1CC[NH2+]CC1 ZINC000629517537 350700665 /nfs/dbraw/zinc/70/06/65/350700665.db2.gz UDWLQRSTRQRKPL-UHFFFAOYSA-N 2 2 282.815 3.010 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000629524359 350701444 /nfs/dbraw/zinc/70/14/44/350701444.db2.gz PJLBGFZMRQMRDV-WCFLWFBJSA-N 2 2 284.350 3.079 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000631644540 351103711 /nfs/dbraw/zinc/10/37/11/351103711.db2.gz GMHDQRABNLCBEM-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000631644540 351103717 /nfs/dbraw/zinc/10/37/17/351103717.db2.gz GMHDQRABNLCBEM-YOEHRIQHSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000631572916 351071511 /nfs/dbraw/zinc/07/15/11/351071511.db2.gz OKMOZUDRMCIXDC-GOEBONIOSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000631572916 351071514 /nfs/dbraw/zinc/07/15/14/351071514.db2.gz OKMOZUDRMCIXDC-GOEBONIOSA-N 2 2 285.435 3.173 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890849 351152520 /nfs/dbraw/zinc/15/25/20/351152520.db2.gz SWVVUQVUUSCRGQ-BXUZGUMPSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890849 351152521 /nfs/dbraw/zinc/15/25/21/351152521.db2.gz SWVVUQVUUSCRGQ-BXUZGUMPSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2c1 ZINC000631889406 351153088 /nfs/dbraw/zinc/15/30/88/351153088.db2.gz FRUVIBUJEWINMI-APWZRJJASA-N 2 2 295.430 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2c1 ZINC000631889406 351153093 /nfs/dbraw/zinc/15/30/93/351153093.db2.gz FRUVIBUJEWINMI-APWZRJJASA-N 2 2 295.430 3.117 20 0 CGADLP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000631757195 351138225 /nfs/dbraw/zinc/13/82/25/351138225.db2.gz WIUOWSYJODMYMQ-RRFJBIMHSA-N 2 2 298.352 3.191 20 0 CGADLP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000631757195 351138227 /nfs/dbraw/zinc/13/82/27/351138227.db2.gz WIUOWSYJODMYMQ-RRFJBIMHSA-N 2 2 298.352 3.191 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634992514 351619610 /nfs/dbraw/zinc/61/96/10/351619610.db2.gz RMBSLLOOMVHIOR-VIQWUECVSA-N 2 2 284.447 3.002 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000634992514 351619611 /nfs/dbraw/zinc/61/96/11/351619611.db2.gz RMBSLLOOMVHIOR-VIQWUECVSA-N 2 2 284.447 3.002 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)c1 ZINC000414122962 282770747 /nfs/dbraw/zinc/77/07/47/282770747.db2.gz IZWFNFDYHNLKOI-DLBZAZTESA-N 2 2 283.419 3.135 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000123257294 187080773 /nfs/dbraw/zinc/08/07/73/187080773.db2.gz UHIXEAUPKOXHLP-GFCCVEGCSA-N 2 2 269.348 3.116 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000123400609 187089558 /nfs/dbraw/zinc/08/95/58/187089558.db2.gz KAQLKLDNILQDEC-OAHLLOKOSA-N 2 2 283.419 3.452 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123419108 187090457 /nfs/dbraw/zinc/09/04/57/187090457.db2.gz SJGOIMCHPNBDPX-ZIAGYGMSSA-N 2 2 255.365 3.245 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632412 234118266 /nfs/dbraw/zinc/11/82/66/234118266.db2.gz SUARCUGWXRSUID-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632412 234118267 /nfs/dbraw/zinc/11/82/67/234118267.db2.gz SUARCUGWXRSUID-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563636 188150748 /nfs/dbraw/zinc/15/07/48/188150748.db2.gz LAVJFCVDOGYWDK-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563636 188150749 /nfs/dbraw/zinc/15/07/49/188150749.db2.gz LAVJFCVDOGYWDK-WCQYABFASA-N 2 2 284.350 3.033 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000154644335 188155137 /nfs/dbraw/zinc/15/51/37/188155137.db2.gz RWGBMYSUXWHCMA-NEPJUHHUSA-N 2 2 252.427 3.055 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000154644335 188155139 /nfs/dbraw/zinc/15/51/39/188155139.db2.gz RWGBMYSUXWHCMA-NEPJUHHUSA-N 2 2 252.427 3.055 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000156084956 188242729 /nfs/dbraw/zinc/24/27/29/188242729.db2.gz SJOZSRSLMODMEY-AWEZNQCLSA-N 2 2 284.407 3.396 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000156084956 188242730 /nfs/dbraw/zinc/24/27/30/188242730.db2.gz SJOZSRSLMODMEY-AWEZNQCLSA-N 2 2 284.407 3.396 20 0 CGADLP Clc1ncccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157146265 188299574 /nfs/dbraw/zinc/29/95/74/188299574.db2.gz IIMPCLTYSOEDJK-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ncccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157146265 188299577 /nfs/dbraw/zinc/29/95/77/188299577.db2.gz IIMPCLTYSOEDJK-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000353622180 283006741 /nfs/dbraw/zinc/00/67/41/283006741.db2.gz LYNDYPJRENTDGV-UKRRQHHQSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000353622180 283006744 /nfs/dbraw/zinc/00/67/44/283006744.db2.gz LYNDYPJRENTDGV-UKRRQHHQSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000336379733 213233303 /nfs/dbraw/zinc/23/33/03/213233303.db2.gz DYMKHOSOJMQIMM-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271766180 191312990 /nfs/dbraw/zinc/31/29/90/191312990.db2.gz AWHSOSNALHWLAK-WMZOPIPTSA-N 2 2 283.419 3.226 20 0 CGADLP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000271766180 191312992 /nfs/dbraw/zinc/31/29/92/191312992.db2.gz AWHSOSNALHWLAK-WMZOPIPTSA-N 2 2 283.419 3.226 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411339734 235050217 /nfs/dbraw/zinc/05/02/17/235050217.db2.gz ZBDUZUJWCZPOAM-OKZBNKHCSA-N 2 2 299.393 3.351 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174224085 188887408 /nfs/dbraw/zinc/88/74/08/188887408.db2.gz XIBZSGZZUHCWFH-INIZCTEOSA-N 2 2 290.451 3.249 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174224085 188887409 /nfs/dbraw/zinc/88/74/09/188887409.db2.gz XIBZSGZZUHCWFH-INIZCTEOSA-N 2 2 290.451 3.249 20 0 CGADLP Cc1occc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000414372408 235398298 /nfs/dbraw/zinc/39/82/98/235398298.db2.gz XPJWTPGNUWYDPF-UHFFFAOYSA-N 2 2 252.402 3.187 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1Br ZINC000123677209 138369136 /nfs/dbraw/zinc/36/91/36/138369136.db2.gz SZIKFJLDKMDXEX-AWEZNQCLSA-N 2 2 299.256 3.254 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1Br ZINC000123677209 138369137 /nfs/dbraw/zinc/36/91/37/138369137.db2.gz SZIKFJLDKMDXEX-AWEZNQCLSA-N 2 2 299.256 3.254 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)s1 ZINC000124711455 138377658 /nfs/dbraw/zinc/37/76/58/138377658.db2.gz PGAXSZSQDQTERD-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Cl)s1 ZINC000124711455 138377659 /nfs/dbraw/zinc/37/76/59/138377659.db2.gz PGAXSZSQDQTERD-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Cl)s1 ZINC000124711455 138377660 /nfs/dbraw/zinc/37/76/60/138377660.db2.gz PGAXSZSQDQTERD-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Cl)s1 ZINC000124711455 138377661 /nfs/dbraw/zinc/37/76/61/138377661.db2.gz PGAXSZSQDQTERD-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)[N@H+](C)C1CC1 ZINC000127492516 138389833 /nfs/dbraw/zinc/38/98/33/138389833.db2.gz PDBNRBNTRHQGOZ-IYXRBSQSSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)[N@@H+](C)C1CC1 ZINC000127492516 138389834 /nfs/dbraw/zinc/38/98/34/138389834.db2.gz PDBNRBNTRHQGOZ-IYXRBSQSSA-N 2 2 276.399 3.144 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](COC)C1CC1)c1ccccc1 ZINC000128109293 138391825 /nfs/dbraw/zinc/39/18/25/138391825.db2.gz PNNZYABYWZYXFZ-ZWKOTPCHSA-N 2 2 290.451 3.084 20 0 CGADLP Clc1oc2ccccc2c1C[NH2+]CCn1cc[nH+]c1 ZINC000133140280 138410647 /nfs/dbraw/zinc/41/06/47/138410647.db2.gz AGLWLJMTZHCKJU-UHFFFAOYSA-N 2 2 275.739 3.073 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423263501 236013957 /nfs/dbraw/zinc/01/39/57/236013957.db2.gz OOQYBQRBPUGLLK-AAEUAGOBSA-N 2 2 284.831 3.373 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000423238661 236005682 /nfs/dbraw/zinc/00/56/82/236005682.db2.gz ALPUWAFCEHMARP-IUODEOHRSA-N 2 2 260.406 3.407 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423326867 236039832 /nfs/dbraw/zinc/03/98/32/236039832.db2.gz NBHDXQCCXOLXDW-RNFRBKRXSA-N 2 2 265.159 3.130 20 0 CGADLP COC[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000423390281 236061011 /nfs/dbraw/zinc/06/10/11/236061011.db2.gz JZYRAQQZNILUQZ-QZTJIDSGSA-N 2 2 286.419 3.100 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423377342 236055164 /nfs/dbraw/zinc/05/51/64/236055164.db2.gz YQIOVLRBKRURSN-GVXVVHGQSA-N 2 2 295.496 3.398 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423544423 236096263 /nfs/dbraw/zinc/09/62/63/236096263.db2.gz DABUQMINEFIIFZ-CHWSQXEVSA-N 2 2 298.377 3.389 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427850720 236348586 /nfs/dbraw/zinc/34/85/86/236348586.db2.gz JCMXACKYIVRMNQ-WBVHZDCISA-N 2 2 283.419 3.117 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000294683990 199133777 /nfs/dbraw/zinc/13/37/77/199133777.db2.gz BIUPAMPDWZLVQO-GFCCVEGCSA-N 2 2 279.334 3.249 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCc3ncccc3C)n2c1 ZINC000294734245 199157780 /nfs/dbraw/zinc/15/77/80/199157780.db2.gz DNSJGOWYSAQBIE-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000119306263 370664479 /nfs/dbraw/zinc/66/44/79/370664479.db2.gz UYHQMUZTWMWGIW-LHUBUQBQSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000119306263 370664472 /nfs/dbraw/zinc/66/44/72/370664472.db2.gz UYHQMUZTWMWGIW-LHUBUQBQSA-N 2 2 270.420 3.147 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)Nc1cc(C2CC2)cc[nH+]1 ZINC000297374717 200167210 /nfs/dbraw/zinc/16/72/10/200167210.db2.gz QRVFGAVDPFNZRC-NSHDSACASA-N 2 2 256.353 3.349 20 0 CGADLP COC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000297480545 200204935 /nfs/dbraw/zinc/20/49/35/200204935.db2.gz ZFKIIWJSTCYLMP-OAHLLOKOSA-N 2 2 299.418 3.482 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297967506 200310886 /nfs/dbraw/zinc/31/08/86/200310886.db2.gz WXPLLIPPDFUOIQ-QGZVFWFLSA-N 2 2 285.435 3.224 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297967506 200310888 /nfs/dbraw/zinc/31/08/88/200310888.db2.gz WXPLLIPPDFUOIQ-QGZVFWFLSA-N 2 2 285.435 3.224 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000177021781 189020912 /nfs/dbraw/zinc/02/09/12/189020912.db2.gz ZJEXBLRDULMJQF-UHFFFAOYSA-N 2 2 272.396 3.134 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000177021781 189020913 /nfs/dbraw/zinc/02/09/13/189020913.db2.gz ZJEXBLRDULMJQF-UHFFFAOYSA-N 2 2 272.396 3.134 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177059886 189025454 /nfs/dbraw/zinc/02/54/54/189025454.db2.gz QKTQMDHVAKZBMC-ZDUSSCGKSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177059886 189025455 /nfs/dbraw/zinc/02/54/55/189025455.db2.gz QKTQMDHVAKZBMC-ZDUSSCGKSA-N 2 2 282.347 3.053 20 0 CGADLP COc1ccc([C@H](C[NH2+][C@@H](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000177184090 189034688 /nfs/dbraw/zinc/03/46/88/189034688.db2.gz DMHKIWSBFJVOPP-KSSFIOAISA-N 2 2 288.435 3.220 20 0 CGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000177184116 189035086 /nfs/dbraw/zinc/03/50/86/189035086.db2.gz DMHKIWSBFJVOPP-KBXCAEBGSA-N 2 2 288.435 3.220 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2CCC3(CCOCC3)CC2)[nH+]1 ZINC000336315362 213158096 /nfs/dbraw/zinc/15/80/96/213158096.db2.gz IVNJEFLBLDRHAN-UHFFFAOYSA-N 2 2 299.418 3.163 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000178500052 189121655 /nfs/dbraw/zinc/12/16/55/189121655.db2.gz KSWRDAPAIIPCIM-SJLPKXTDSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc[nH]c1 ZINC000178775614 189145377 /nfs/dbraw/zinc/14/53/77/189145377.db2.gz QVSBKHXVAWMSDP-UHFFFAOYSA-N 2 2 271.408 3.015 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1cc[nH]c1 ZINC000178775614 189145378 /nfs/dbraw/zinc/14/53/78/189145378.db2.gz QVSBKHXVAWMSDP-UHFFFAOYSA-N 2 2 271.408 3.015 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000179273486 189182928 /nfs/dbraw/zinc/18/29/28/189182928.db2.gz BQIJOXFEATWSDL-BXUZGUMPSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000179273486 189182929 /nfs/dbraw/zinc/18/29/29/189182929.db2.gz BQIJOXFEATWSDL-BXUZGUMPSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000119367912 370671071 /nfs/dbraw/zinc/67/10/71/370671071.db2.gz FMEXQZMDSIFFQY-SCDSUCTJSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000119367912 370671074 /nfs/dbraw/zinc/67/10/74/370671074.db2.gz FMEXQZMDSIFFQY-SCDSUCTJSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301462323 201017741 /nfs/dbraw/zinc/01/77/41/201017741.db2.gz FGKZPLHVUMGCKP-HNNXBMFYSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc[nH+]1 ZINC000301462323 201017744 /nfs/dbraw/zinc/01/77/44/201017744.db2.gz FGKZPLHVUMGCKP-HNNXBMFYSA-N 2 2 284.407 3.108 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000182259565 189318232 /nfs/dbraw/zinc/31/82/32/189318232.db2.gz JFGWJCNTMLEGCY-WFASDCNBSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000182259565 189318233 /nfs/dbraw/zinc/31/82/33/189318233.db2.gz JFGWJCNTMLEGCY-WFASDCNBSA-N 2 2 278.827 3.401 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119588059 370688605 /nfs/dbraw/zinc/68/86/05/370688605.db2.gz CMSOPKLHZPIMCP-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301546689 201062124 /nfs/dbraw/zinc/06/21/24/201062124.db2.gz UESBSFCFQUCXDC-CQSZACIVSA-N 2 2 290.455 3.451 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301546689 201062126 /nfs/dbraw/zinc/06/21/26/201062126.db2.gz UESBSFCFQUCXDC-CQSZACIVSA-N 2 2 290.455 3.451 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000301632894 201105876 /nfs/dbraw/zinc/10/58/76/201105876.db2.gz JUFDZMDASQSIPK-OAHLLOKOSA-N 2 2 281.403 3.249 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000301632894 201105878 /nfs/dbraw/zinc/10/58/78/201105878.db2.gz JUFDZMDASQSIPK-OAHLLOKOSA-N 2 2 281.403 3.249 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182799412 189335550 /nfs/dbraw/zinc/33/55/50/189335550.db2.gz VTPQPVFCZZEAQA-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182799412 189335551 /nfs/dbraw/zinc/33/55/51/189335551.db2.gz VTPQPVFCZZEAQA-WMLDXEAASA-N 2 2 287.382 3.495 20 0 CGADLP Cc1ccc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183161824 189348625 /nfs/dbraw/zinc/34/86/25/189348625.db2.gz FFGZEUDDZDNDHE-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1ccc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183161824 189348626 /nfs/dbraw/zinc/34/86/26/189348626.db2.gz FFGZEUDDZDNDHE-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]cc1Cl ZINC000301748734 201174804 /nfs/dbraw/zinc/17/48/04/201174804.db2.gz HMKCQVIMVVXJTH-UHFFFAOYSA-N 2 2 264.760 3.200 20 0 CGADLP CCc1cc(NCC[N@H+]2CCCC[C@@H]2CC)nc(C)[nH+]1 ZINC000302068457 201329548 /nfs/dbraw/zinc/32/95/48/201329548.db2.gz XCAGZRWSVWHQGO-HNNXBMFYSA-N 2 2 276.428 3.024 20 0 CGADLP CCc1cc(NCC[N@@H+]2CCCC[C@@H]2CC)nc(C)[nH+]1 ZINC000302068457 201329549 /nfs/dbraw/zinc/32/95/49/201329549.db2.gz XCAGZRWSVWHQGO-HNNXBMFYSA-N 2 2 276.428 3.024 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000342547111 216393459 /nfs/dbraw/zinc/39/34/59/216393459.db2.gz NWWNPOHFEYQVQC-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000342547111 216393460 /nfs/dbraw/zinc/39/34/60/216393460.db2.gz NWWNPOHFEYQVQC-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC000302102902 201341999 /nfs/dbraw/zinc/34/19/99/201341999.db2.gz QOMRMWDZDPXMGW-MRXNPFEDSA-N 2 2 288.439 3.024 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)nc(C)[nH+]1 ZINC000302102902 201342002 /nfs/dbraw/zinc/34/20/02/201342002.db2.gz QOMRMWDZDPXMGW-MRXNPFEDSA-N 2 2 288.439 3.024 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449152456 239207778 /nfs/dbraw/zinc/20/77/78/239207778.db2.gz FSZOPUWEDKNRBN-HLLBOEOZSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000449401267 239383751 /nfs/dbraw/zinc/38/37/51/239383751.db2.gz GHTNGDWCNMJUQN-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccn1 ZINC000449401267 239383757 /nfs/dbraw/zinc/38/37/57/239383757.db2.gz GHTNGDWCNMJUQN-LPHOPBHVSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000119974045 370727932 /nfs/dbraw/zinc/72/79/32/370727932.db2.gz LHOCBVXWSRWSGD-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000119974045 370727933 /nfs/dbraw/zinc/72/79/33/370727933.db2.gz LHOCBVXWSRWSGD-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP C[N@H+](CC[NH2+][C@H](c1cccnc1)C1CC1)Cc1ccccc1 ZINC000450720539 240052628 /nfs/dbraw/zinc/05/26/28/240052628.db2.gz UKJUFIFXLQKCOV-IBGZPJMESA-N 2 2 295.430 3.254 20 0 CGADLP C[N@@H+](CC[NH2+][C@H](c1cccnc1)C1CC1)Cc1ccccc1 ZINC000450720539 240052637 /nfs/dbraw/zinc/05/26/37/240052637.db2.gz UKJUFIFXLQKCOV-IBGZPJMESA-N 2 2 295.430 3.254 20 0 CGADLP Cc1[nH]c2ccc(Cn3c[nH+]c4c3C[C@@H](C)[C@@H](C)C4)cc2[nH+]1 ZINC000450994215 240187244 /nfs/dbraw/zinc/18/72/44/240187244.db2.gz BQCBTGKYBTVKNP-NWDGAFQWSA-N 2 2 294.402 3.487 20 0 CGADLP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578046 212289422 /nfs/dbraw/zinc/28/94/22/212289422.db2.gz WGSUYKZLFVRWRF-NEPJUHHUSA-N 2 2 269.339 3.025 20 0 CGADLP FC1(F)CC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000335578046 212289423 /nfs/dbraw/zinc/28/94/23/212289423.db2.gz WGSUYKZLFVRWRF-NEPJUHHUSA-N 2 2 269.339 3.025 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000120768928 370799278 /nfs/dbraw/zinc/79/92/78/370799278.db2.gz KSFACKRPQHJKQG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000120768928 370799283 /nfs/dbraw/zinc/79/92/83/370799283.db2.gz KSFACKRPQHJKQG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2n1 ZINC000275553782 193073696 /nfs/dbraw/zinc/07/36/96/193073696.db2.gz CQXGRWNRWBXRQM-BFUOFWGJSA-N 2 2 295.430 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc2n1 ZINC000275553782 193073698 /nfs/dbraw/zinc/07/36/98/193073698.db2.gz CQXGRWNRWBXRQM-BFUOFWGJSA-N 2 2 295.430 3.116 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000121168336 370836165 /nfs/dbraw/zinc/83/61/65/370836165.db2.gz BEWXEPNITPRQQZ-SWLSCSKDSA-N 2 2 279.428 3.008 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000121168336 370836170 /nfs/dbraw/zinc/83/61/70/370836170.db2.gz BEWXEPNITPRQQZ-SWLSCSKDSA-N 2 2 279.428 3.008 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1ccccc1Cl ZINC000459550755 242129262 /nfs/dbraw/zinc/12/92/62/242129262.db2.gz QTZYXHRNSTTWTF-UHFFFAOYSA-N 2 2 268.832 3.202 20 0 CGADLP COc1cccc2c1C[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C2 ZINC000459696964 242185692 /nfs/dbraw/zinc/18/56/92/242185692.db2.gz KJIDZPRQNUULRO-QGZVFWFLSA-N 2 2 296.414 3.088 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000462819987 242366050 /nfs/dbraw/zinc/36/60/50/242366050.db2.gz MBPMNWZXJOZSKE-HIFRSBDPSA-N 2 2 292.854 3.406 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000462819987 242366052 /nfs/dbraw/zinc/36/60/52/242366052.db2.gz MBPMNWZXJOZSKE-HIFRSBDPSA-N 2 2 292.854 3.406 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433910 243103646 /nfs/dbraw/zinc/10/36/46/243103646.db2.gz CJTQLBVRLTWMRU-GDBMZVCRSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000479433910 243103651 /nfs/dbraw/zinc/10/36/51/243103651.db2.gz CJTQLBVRLTWMRU-GDBMZVCRSA-N 2 2 297.446 3.500 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000479857626 243128040 /nfs/dbraw/zinc/12/80/40/243128040.db2.gz DRWYYACKTYJPPS-INIZCTEOSA-N 2 2 280.431 3.323 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccc(C)cc2C)C1 ZINC000482713547 243239666 /nfs/dbraw/zinc/23/96/66/243239666.db2.gz NKLGFQTWHXIBKY-LZLYRXPVSA-N 2 2 274.452 3.164 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccc(C)cc2C)C1 ZINC000482713547 243239673 /nfs/dbraw/zinc/23/96/73/243239673.db2.gz NKLGFQTWHXIBKY-LZLYRXPVSA-N 2 2 274.452 3.164 20 0 CGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC000484467179 243312867 /nfs/dbraw/zinc/31/28/67/243312867.db2.gz NKAZCHFJHLEKOV-JKSUJKDBSA-N 2 2 284.513 3.372 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484490689 243315919 /nfs/dbraw/zinc/31/59/19/243315919.db2.gz KZHFAHLYUFTLSL-RRFJBIMHSA-N 2 2 272.502 3.228 20 0 CGADLP Fc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000124190172 370920997 /nfs/dbraw/zinc/92/09/97/370920997.db2.gz VNJKCBVFBIFNCN-UHFFFAOYSA-N 2 2 299.393 3.022 20 0 CGADLP C[NH+](C)CCCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000019777802 368765321 /nfs/dbraw/zinc/76/53/21/368765321.db2.gz JOLNAZQJZOFYHG-UHFFFAOYSA-N 2 2 285.391 3.024 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996461 369047627 /nfs/dbraw/zinc/04/76/27/369047627.db2.gz IZDOPOAWVGNWJP-HUUCEWRRSA-N 2 2 298.352 3.422 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996461 369047634 /nfs/dbraw/zinc/04/76/34/369047634.db2.gz IZDOPOAWVGNWJP-HUUCEWRRSA-N 2 2 298.352 3.422 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000035010038 368988413 /nfs/dbraw/zinc/98/84/13/368988413.db2.gz CJFOVQBULDDUJL-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037213926 369077232 /nfs/dbraw/zinc/07/72/32/369077232.db2.gz JRPALIGFNOLCPH-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037213926 369077239 /nfs/dbraw/zinc/07/72/39/369077239.db2.gz JRPALIGFNOLCPH-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC ZINC000037320174 369081665 /nfs/dbraw/zinc/08/16/65/369081665.db2.gz IRJVFIFDPYNJGX-ZFWWWQNUSA-N 2 2 273.380 3.021 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000040502243 369158495 /nfs/dbraw/zinc/15/84/95/369158495.db2.gz AWKZZSQIINAWMA-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000040502243 369158497 /nfs/dbraw/zinc/15/84/97/369158497.db2.gz AWKZZSQIINAWMA-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041119573 369174028 /nfs/dbraw/zinc/17/40/28/369174028.db2.gz FMLFZSVIAPPNLK-ZDUSSCGKSA-N 2 2 269.348 3.289 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)s1 ZINC000041202841 369180305 /nfs/dbraw/zinc/18/03/05/369180305.db2.gz KXENFGKEPBSDSL-LBPRGKRZSA-N 2 2 252.427 3.057 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684769 369266140 /nfs/dbraw/zinc/26/61/40/369266140.db2.gz MILKMRPCCITPBC-GOEBONIOSA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684769 369266149 /nfs/dbraw/zinc/26/61/49/369266149.db2.gz MILKMRPCCITPBC-GOEBONIOSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685238 369268205 /nfs/dbraw/zinc/26/82/05/369268205.db2.gz WKHUKVHKUFWVTD-PWSUYJOCSA-N 2 2 282.790 3.366 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685238 369268209 /nfs/dbraw/zinc/26/82/09/369268209.db2.gz WKHUKVHKUFWVTD-PWSUYJOCSA-N 2 2 282.790 3.366 20 0 CGADLP C[NH+](C)CCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000045664157 369283965 /nfs/dbraw/zinc/28/39/65/369283965.db2.gz CZAAVXAWTPMEBU-INIZCTEOSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000494905392 244329138 /nfs/dbraw/zinc/32/91/38/244329138.db2.gz DRCWASMNRYPWLA-XUJVJEKNSA-N 2 2 257.381 3.130 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494946422 244336223 /nfs/dbraw/zinc/33/62/23/244336223.db2.gz HVINACGSESURJD-RCFWFJCLSA-N 2 2 296.418 3.191 20 0 CGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494946422 244336228 /nfs/dbraw/zinc/33/62/28/244336228.db2.gz HVINACGSESURJD-RCFWFJCLSA-N 2 2 296.418 3.191 20 0 CGADLP Cc1cc(OCc2c[nH+]cn2C)c2c(C)cccc2[nH+]1 ZINC000276083202 193208766 /nfs/dbraw/zinc/20/87/66/193208766.db2.gz OYJLNLRPIRNTMM-UHFFFAOYSA-N 2 2 267.332 3.164 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2ccccc12 ZINC000047892446 369331177 /nfs/dbraw/zinc/33/11/77/369331177.db2.gz UPDKPIYIKZQXSF-LBPRGKRZSA-N 2 2 271.389 3.276 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000053201200 369480660 /nfs/dbraw/zinc/48/06/60/369480660.db2.gz TZGOCWZGRWXJJR-AWEZNQCLSA-N 2 2 278.399 3.440 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000053201200 369480665 /nfs/dbraw/zinc/48/06/65/369480665.db2.gz TZGOCWZGRWXJJR-AWEZNQCLSA-N 2 2 278.399 3.440 20 0 CGADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129363873 370984475 /nfs/dbraw/zinc/98/44/75/370984475.db2.gz AVJJYNWUIXVDIH-HNNXBMFYSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129363873 370984480 /nfs/dbraw/zinc/98/44/80/370984480.db2.gz AVJJYNWUIXVDIH-HNNXBMFYSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061980796 369613897 /nfs/dbraw/zinc/61/38/97/369613897.db2.gz UVQAIQAGRJZHDF-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061980796 369613900 /nfs/dbraw/zinc/61/39/00/369613900.db2.gz UVQAIQAGRJZHDF-DOMZBBRYSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000063191462 369642223 /nfs/dbraw/zinc/64/22/23/369642223.db2.gz YCZQOLOUHBVVAF-FZMZJTMJSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000063191462 369642229 /nfs/dbraw/zinc/64/22/29/369642229.db2.gz YCZQOLOUHBVVAF-FZMZJTMJSA-N 2 2 252.789 3.042 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859994 369841454 /nfs/dbraw/zinc/84/14/54/369841454.db2.gz ZKKLGBZLTQZLEQ-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859994 369841455 /nfs/dbraw/zinc/84/14/55/369841455.db2.gz ZKKLGBZLTQZLEQ-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859994 369841459 /nfs/dbraw/zinc/84/14/59/369841459.db2.gz ZKKLGBZLTQZLEQ-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859994 369841461 /nfs/dbraw/zinc/84/14/61/369841461.db2.gz ZKKLGBZLTQZLEQ-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000070150139 369782057 /nfs/dbraw/zinc/78/20/57/369782057.db2.gz PMRCSJWPDHTOQO-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000070150139 369782062 /nfs/dbraw/zinc/78/20/62/369782062.db2.gz PMRCSJWPDHTOQO-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720221 370065236 /nfs/dbraw/zinc/06/52/36/370065236.db2.gz XHQZWISSRZJHLY-ZBFHGGJFSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720221 370065238 /nfs/dbraw/zinc/06/52/38/370065238.db2.gz XHQZWISSRZJHLY-ZBFHGGJFSA-N 2 2 276.424 3.046 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000093604572 370146905 /nfs/dbraw/zinc/14/69/05/370146905.db2.gz HRYZTIZTKQLUGH-CQSZACIVSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000093604572 370146907 /nfs/dbraw/zinc/14/69/07/370146907.db2.gz HRYZTIZTKQLUGH-CQSZACIVSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093643789 370150320 /nfs/dbraw/zinc/15/03/20/370150320.db2.gz RZGRLIYNRWPKIW-CHWSQXEVSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093643789 370150326 /nfs/dbraw/zinc/15/03/26/370150326.db2.gz RZGRLIYNRWPKIW-CHWSQXEVSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000093643789 370150329 /nfs/dbraw/zinc/15/03/29/370150329.db2.gz RZGRLIYNRWPKIW-CHWSQXEVSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000093643789 370150335 /nfs/dbraw/zinc/15/03/35/370150335.db2.gz RZGRLIYNRWPKIW-CHWSQXEVSA-N 2 2 281.469 3.181 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@@H+]1C ZINC000093644931 370153398 /nfs/dbraw/zinc/15/33/98/370153398.db2.gz RQDSKPFZWWERDW-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)CC[N@H+]1C ZINC000093644931 370153404 /nfs/dbraw/zinc/15/34/04/370153404.db2.gz RQDSKPFZWWERDW-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644931 370153407 /nfs/dbraw/zinc/15/34/07/370153407.db2.gz RQDSKPFZWWERDW-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)CC[NH+]1C ZINC000093644931 370153412 /nfs/dbraw/zinc/15/34/12/370153412.db2.gz RQDSKPFZWWERDW-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000093644912 370154635 /nfs/dbraw/zinc/15/46/35/370154635.db2.gz RNMTXMMAVHNDQA-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000093644912 370154639 /nfs/dbraw/zinc/15/46/39/370154639.db2.gz RNMTXMMAVHNDQA-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644912 370154643 /nfs/dbraw/zinc/15/46/43/370154643.db2.gz RNMTXMMAVHNDQA-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644912 370154648 /nfs/dbraw/zinc/15/46/48/370154648.db2.gz RNMTXMMAVHNDQA-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000111038835 370391898 /nfs/dbraw/zinc/39/18/98/370391898.db2.gz LVVMSMYLIMMHHW-UHFFFAOYSA-N 2 2 282.378 3.317 20 0 CGADLP CC(C)c1nc(NCCC[NH2+]C2CCCCC2)cc[nH+]1 ZINC000110128410 370370213 /nfs/dbraw/zinc/37/02/13/370370213.db2.gz SYROIKABVCZEBU-UHFFFAOYSA-N 2 2 276.428 3.324 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000130674517 371050293 /nfs/dbraw/zinc/05/02/93/371050293.db2.gz YMBCXFVOSJIMJY-CYBMUJFWSA-N 2 2 257.381 3.045 20 0 CGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000129877816 371004099 /nfs/dbraw/zinc/00/40/99/371004099.db2.gz VYZVWQBHOYWAFA-OAHLLOKOSA-N 2 2 274.433 3.050 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000132131870 371154228 /nfs/dbraw/zinc/15/42/28/371154228.db2.gz AWOXNOKZRBBWQJ-BPNCWPANSA-N 2 2 273.405 3.247 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132462469 371176579 /nfs/dbraw/zinc/17/65/79/371176579.db2.gz OMKRJLMSBYDOJH-UKRRQHHQSA-N 2 2 287.432 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344025001 217014517 /nfs/dbraw/zinc/01/45/17/217014517.db2.gz RKDLLTKVCAOEMV-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344025001 217014519 /nfs/dbraw/zinc/01/45/19/217014519.db2.gz RKDLLTKVCAOEMV-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000133147535 371232201 /nfs/dbraw/zinc/23/22/01/371232201.db2.gz GVCIXMHYGRFVTN-UHFFFAOYSA-N 2 2 278.783 3.270 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134781283 371364587 /nfs/dbraw/zinc/36/45/87/371364587.db2.gz SYEVQDBBRDCHSG-CHWSQXEVSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000134781283 371364592 /nfs/dbraw/zinc/36/45/92/371364592.db2.gz SYEVQDBBRDCHSG-CHWSQXEVSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000135611514 371440107 /nfs/dbraw/zinc/44/01/07/371440107.db2.gz BVCYHQPWKAMELK-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136081556 371459971 /nfs/dbraw/zinc/45/99/71/371459971.db2.gz UDUGARFXEDBYAO-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000136081556 371459975 /nfs/dbraw/zinc/45/99/75/371459975.db2.gz UDUGARFXEDBYAO-ZBFHGGJFSA-N 2 2 261.413 3.346 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000136064483 371460384 /nfs/dbraw/zinc/46/03/84/371460384.db2.gz SYDAEIXYHRPHCP-UHFFFAOYSA-N 2 2 276.355 3.079 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000136298359 371473416 /nfs/dbraw/zinc/47/34/16/371473416.db2.gz FOANFWZNMLVOSI-UHFFFAOYSA-N 2 2 292.452 3.294 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000136298359 371473421 /nfs/dbraw/zinc/47/34/21/371473421.db2.gz FOANFWZNMLVOSI-UHFFFAOYSA-N 2 2 292.452 3.294 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000151128293 371573836 /nfs/dbraw/zinc/57/38/36/371573836.db2.gz QZWCZPFYNGMBRG-JTQLQIEISA-N 2 2 283.297 3.041 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000353310288 220021177 /nfs/dbraw/zinc/02/11/77/220021177.db2.gz DYUCMZOTEDHIDP-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000353310288 220021179 /nfs/dbraw/zinc/02/11/79/220021179.db2.gz DYUCMZOTEDHIDP-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000151669059 371624092 /nfs/dbraw/zinc/62/40/92/371624092.db2.gz CQQAIZDSIUNVPT-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCCOc2ccccc21)[NH+]1CCCC1 ZINC000151697702 371627990 /nfs/dbraw/zinc/62/79/90/371627990.db2.gz NIFILXOGTHFMFK-RDJZCZTQSA-N 2 2 288.435 3.364 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805188 371636291 /nfs/dbraw/zinc/63/62/91/371636291.db2.gz FXNSRCKHSSOOGK-KFNAQCHYSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000151805188 371636292 /nfs/dbraw/zinc/63/62/92/371636292.db2.gz FXNSRCKHSSOOGK-KFNAQCHYSA-N 2 2 282.378 3.488 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000421824400 371647966 /nfs/dbraw/zinc/64/79/66/371647966.db2.gz ILYDFMUVCDQCMM-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000421824400 371647975 /nfs/dbraw/zinc/64/79/75/371647975.db2.gz ILYDFMUVCDQCMM-AAEUAGOBSA-N 2 2 282.815 3.093 20 0 CGADLP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000422707595 371762270 /nfs/dbraw/zinc/76/22/70/371762270.db2.gz ANEVNGLFCZXQFL-DQYPLSBCSA-N 2 2 276.399 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422718672 371766492 /nfs/dbraw/zinc/76/64/92/371766492.db2.gz XGHCUEQXTPXOAF-UBHSHLNASA-N 2 2 286.341 3.410 20 0 CGADLP C[C@@H]([NH2+]Cc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422757562 371787215 /nfs/dbraw/zinc/78/72/15/371787215.db2.gz JRBADZMNAUILER-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793504 371788946 /nfs/dbraw/zinc/78/89/46/371788946.db2.gz SHRWLTFMVCVRIC-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793504 371788953 /nfs/dbraw/zinc/78/89/53/371788953.db2.gz SHRWLTFMVCVRIC-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422792667 371810463 /nfs/dbraw/zinc/81/04/63/371810463.db2.gz RINZUXTZTBJOOA-CVEARBPZSA-N 2 2 285.391 3.091 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422799822 371817988 /nfs/dbraw/zinc/81/79/88/371817988.db2.gz YQIRQQJLBWCEBJ-SNVBAGLBSA-N 2 2 295.308 3.364 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422810365 371822602 /nfs/dbraw/zinc/82/26/02/371822602.db2.gz RQKZKEGHPFEJNJ-FZMZJTMJSA-N 2 2 282.428 3.168 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813744 371827177 /nfs/dbraw/zinc/82/71/77/371827177.db2.gz ZSZLAADMYIYURC-GYSYKLTISA-N 2 2 284.350 3.079 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422883682 371854074 /nfs/dbraw/zinc/85/40/74/371854074.db2.gz VKAWUVHTNFUZBQ-HOTGVXAUSA-N 2 2 285.391 3.091 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000422916646 371867834 /nfs/dbraw/zinc/86/78/34/371867834.db2.gz BGRXZJDMLYLWGT-WSMDXJOWSA-N 2 2 282.790 3.413 20 0 CGADLP CCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422923511 371873824 /nfs/dbraw/zinc/87/38/24/371873824.db2.gz WKJHQBLNAAAPIM-SJORKVTESA-N 2 2 288.435 3.268 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)[C@H]1CCC[NH2+]1 ZINC000422943219 371883565 /nfs/dbraw/zinc/88/35/65/371883565.db2.gz XSNBXHIWAZCOPB-COLVAYQJSA-N 2 2 264.800 3.057 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)c2ccccc21 ZINC000422981446 371901231 /nfs/dbraw/zinc/90/12/31/371901231.db2.gz SWAHKJJCBWPHNA-BRWVUGGUSA-N 2 2 280.371 3.114 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[NH2+]1 ZINC000423000112 371907751 /nfs/dbraw/zinc/90/77/51/371907751.db2.gz UTDXYMBIFWWVBF-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009059 371913798 /nfs/dbraw/zinc/91/37/98/371913798.db2.gz BVEIACVPGPDJST-DQYPLSBCSA-N 2 2 276.399 3.315 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423014415 371915908 /nfs/dbraw/zinc/91/59/08/371915908.db2.gz IMILAXSPFOJVFQ-UYHISHBKSA-N 2 2 281.403 3.439 20 0 CGADLP CCN(CC)c1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c[nH+]1 ZINC000037003204 541861082 /nfs/dbraw/zinc/86/10/82/541861082.db2.gz BEEYKKPKHWHNCY-AWEZNQCLSA-N 2 2 290.455 3.070 20 0 CGADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423097523 371960348 /nfs/dbraw/zinc/96/03/48/371960348.db2.gz JEZHXYGRZKZQEZ-GDBMZVCRSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1cnc([C@@H](C)C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000290373741 371974891 /nfs/dbraw/zinc/97/48/91/371974891.db2.gz NNPRLASQLBJMJA-ZDUSSCGKSA-N 2 2 289.448 3.481 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000290387451 371978402 /nfs/dbraw/zinc/97/84/02/371978402.db2.gz OLFQVNBIPGYDPO-UHFFFAOYSA-N 2 2 270.376 3.045 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129180 371982617 /nfs/dbraw/zinc/98/26/17/371982617.db2.gz DYYLOMVLMPMZSQ-IUODEOHRSA-N 2 2 274.433 3.031 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423136174 371984781 /nfs/dbraw/zinc/98/47/81/371984781.db2.gz USSADKHEKSYFEC-XJKSGUPXSA-N 2 2 278.465 3.419 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000423143132 371988619 /nfs/dbraw/zinc/98/86/19/371988619.db2.gz CIWJPBJACBNBBH-SJORKVTESA-N 2 2 276.399 3.323 20 0 CGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000156641692 371989663 /nfs/dbraw/zinc/98/96/63/371989663.db2.gz IVGDPSBRKHOHKQ-MAUKXSAKSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290251676 371945949 /nfs/dbraw/zinc/94/59/49/371945949.db2.gz UHXVGFUVDPJRJQ-KSSFIOAISA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083636 371951785 /nfs/dbraw/zinc/95/17/85/371951785.db2.gz ZDQIWBZFTPBTSG-CXAGYDPISA-N 2 2 258.409 3.042 20 0 CGADLP CC(C)CSCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000155931987 371953035 /nfs/dbraw/zinc/95/30/35/371953035.db2.gz RCGSKLNXOBUHTM-INIZCTEOSA-N 2 2 294.464 3.314 20 0 CGADLP CC(C)CSCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000155931987 371953038 /nfs/dbraw/zinc/95/30/38/371953038.db2.gz RCGSKLNXOBUHTM-INIZCTEOSA-N 2 2 294.464 3.314 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155981461 371956851 /nfs/dbraw/zinc/95/68/51/371956851.db2.gz DYYBMDYDMROFFS-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155981461 371956853 /nfs/dbraw/zinc/95/68/53/371956853.db2.gz DYYBMDYDMROFFS-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423189086 372014687 /nfs/dbraw/zinc/01/46/87/372014687.db2.gz MEVJYUOSSGDTNU-SUMWQHHRSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423210211 372032823 /nfs/dbraw/zinc/03/28/23/372032823.db2.gz WJLDKCKRQFYZFM-CMPLNLGQSA-N 2 2 286.391 3.056 20 0 CGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423226209 372041484 /nfs/dbraw/zinc/04/14/84/372041484.db2.gz PTKZMZHIFCNUEG-CYBMUJFWSA-N 2 2 260.406 3.088 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)o1 ZINC000423261546 372044688 /nfs/dbraw/zinc/04/46/88/372044688.db2.gz KBPDJEPZPDEDLV-WBMJQRKESA-N 2 2 264.413 3.455 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@@H]1CCC12CCCC2 ZINC000423420313 372062033 /nfs/dbraw/zinc/06/20/33/372062033.db2.gz JHKBLBYZIUBKQD-DLBZAZTESA-N 2 2 270.420 3.186 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177169 372007489 /nfs/dbraw/zinc/00/74/89/372007489.db2.gz ANLMTNIUENQDTN-GOEBONIOSA-N 2 2 258.409 3.022 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(C2CC2)CCC1 ZINC000290530224 372011239 /nfs/dbraw/zinc/01/12/39/372011239.db2.gz YBGJUGUOOJBSHD-UHFFFAOYSA-N 2 2 258.409 3.493 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538002 372012412 /nfs/dbraw/zinc/01/24/12/372012412.db2.gz RBVUWNCVKJZIDS-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538002 372012421 /nfs/dbraw/zinc/01/24/21/372012421.db2.gz RBVUWNCVKJZIDS-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)cs1 ZINC000290538002 372012428 /nfs/dbraw/zinc/01/24/28/372012428.db2.gz RBVUWNCVKJZIDS-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538002 372012435 /nfs/dbraw/zinc/01/24/35/372012435.db2.gz RBVUWNCVKJZIDS-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184357 372013471 /nfs/dbraw/zinc/01/34/71/372013471.db2.gz ILCWFLYGDFADPL-PWSUYJOCSA-N 2 2 281.469 3.152 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672084 541868446 /nfs/dbraw/zinc/86/84/46/541868446.db2.gz NKICISNTPCASQB-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672084 541868449 /nfs/dbraw/zinc/86/84/49/541868449.db2.gz NKICISNTPCASQB-DLBZAZTESA-N 2 2 260.425 3.458 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425365927 372123268 /nfs/dbraw/zinc/12/32/68/372123268.db2.gz ZAEFBYZJLWFYBD-ILXRZTDVSA-N 2 2 270.486 3.125 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425365927 372123276 /nfs/dbraw/zinc/12/32/76/372123276.db2.gz ZAEFBYZJLWFYBD-ILXRZTDVSA-N 2 2 270.486 3.125 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000425365369 372123358 /nfs/dbraw/zinc/12/33/58/372123358.db2.gz YCCJRUYFLQIASY-BRWVUGGUSA-N 2 2 290.476 3.135 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000425365369 372123362 /nfs/dbraw/zinc/12/33/62/372123362.db2.gz YCCJRUYFLQIASY-BRWVUGGUSA-N 2 2 290.476 3.135 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551192 372230172 /nfs/dbraw/zinc/23/01/72/372230172.db2.gz JZRQOWBVUSSPFL-DVOMOZLQSA-N 2 2 296.842 3.037 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551192 372230177 /nfs/dbraw/zinc/23/01/77/372230177.db2.gz JZRQOWBVUSSPFL-DVOMOZLQSA-N 2 2 296.842 3.037 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223637 372184387 /nfs/dbraw/zinc/18/43/87/372184387.db2.gz VFOSXKCKARLOAK-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223637 372184396 /nfs/dbraw/zinc/18/43/96/372184396.db2.gz VFOSXKCKARLOAK-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223637 372184401 /nfs/dbraw/zinc/18/44/01/372184401.db2.gz VFOSXKCKARLOAK-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000292223637 372184408 /nfs/dbraw/zinc/18/44/08/372184408.db2.gz VFOSXKCKARLOAK-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000428392043 372189858 /nfs/dbraw/zinc/18/98/58/372189858.db2.gz HZTUVMMRAAUAGI-DZGCQCFKSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)o1 ZINC000428392043 372189865 /nfs/dbraw/zinc/18/98/65/372189865.db2.gz HZTUVMMRAAUAGI-DZGCQCFKSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)o1 ZINC000428392043 372189870 /nfs/dbraw/zinc/18/98/70/372189870.db2.gz HZTUVMMRAAUAGI-DZGCQCFKSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000428392043 372189877 /nfs/dbraw/zinc/18/98/77/372189877.db2.gz HZTUVMMRAAUAGI-DZGCQCFKSA-N 2 2 293.455 3.098 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCC[C@H]21 ZINC000292991728 372271230 /nfs/dbraw/zinc/27/12/30/372271230.db2.gz IGCVMWKSTKEKHY-CVEARBPZSA-N 2 2 296.418 3.278 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCC[C@H]21 ZINC000292991728 372271234 /nfs/dbraw/zinc/27/12/34/372271234.db2.gz IGCVMWKSTKEKHY-CVEARBPZSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2csc3ccccc23)CCC[N@@H+]1C ZINC000344333448 217154856 /nfs/dbraw/zinc/15/48/56/217154856.db2.gz PRHIKOGNTVGSGS-WFASDCNBSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2csc3ccccc23)CCC[N@H+]1C ZINC000344333448 217154858 /nfs/dbraw/zinc/15/48/58/217154858.db2.gz PRHIKOGNTVGSGS-WFASDCNBSA-N 2 2 274.433 3.474 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000293372408 372367894 /nfs/dbraw/zinc/36/78/94/372367894.db2.gz HXIQEOBEJGWLGH-SJORKVTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000293372408 372367899 /nfs/dbraw/zinc/36/78/99/372367899.db2.gz HXIQEOBEJGWLGH-SJORKVTESA-N 2 2 288.410 3.420 20 0 CGADLP CCc1nocc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293433307 372382172 /nfs/dbraw/zinc/38/21/72/372382172.db2.gz OBFSEZSZHDDNDB-UHFFFAOYSA-N 2 2 296.374 3.055 20 0 CGADLP CCc1nocc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293433307 372382180 /nfs/dbraw/zinc/38/21/80/372382180.db2.gz OBFSEZSZHDDNDB-UHFFFAOYSA-N 2 2 296.374 3.055 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000162256068 372384262 /nfs/dbraw/zinc/38/42/62/372384262.db2.gz LMPZTHGXYZZMDB-QGZVFWFLSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cscn1 ZINC000162340267 372389542 /nfs/dbraw/zinc/38/95/42/372389542.db2.gz CYPQBZWYPIBXDP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cscn1 ZINC000162340267 372389548 /nfs/dbraw/zinc/38/95/48/372389548.db2.gz CYPQBZWYPIBXDP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761551 372473750 /nfs/dbraw/zinc/47/37/50/372473750.db2.gz JYUSTWWBLSERHI-GJZGRUSLSA-N 2 2 259.397 3.478 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761551 372473759 /nfs/dbraw/zinc/47/37/59/372473759.db2.gz JYUSTWWBLSERHI-GJZGRUSLSA-N 2 2 259.397 3.478 20 0 CGADLP CC(C)[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000162914915 372432623 /nfs/dbraw/zinc/43/26/23/372432623.db2.gz HFEVOZGIPNYCCM-INIZCTEOSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1cccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)[nH+]1 ZINC000166414972 372573275 /nfs/dbraw/zinc/57/32/75/372573275.db2.gz CFEBJMRFBVOFQE-UXBLZVDNSA-N 2 2 293.414 3.225 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000294135656 372591212 /nfs/dbraw/zinc/59/12/12/372591212.db2.gz URZVZUUCUMPGBL-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000294135656 372591214 /nfs/dbraw/zinc/59/12/14/372591214.db2.gz URZVZUUCUMPGBL-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP CC1(C)CC([NH2+]Cc2cccc(O)c2Cl)CC(C)(C)[NH2+]1 ZINC000294159922 372599129 /nfs/dbraw/zinc/59/91/29/372599129.db2.gz PIOIZEDTSPVFPB-UHFFFAOYSA-N 2 2 296.842 3.444 20 0 CGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000294289066 372639467 /nfs/dbraw/zinc/63/94/67/372639467.db2.gz UDQGKORMANIYBJ-PBHICJAKSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCc3sccc3C2)c[nH+]1 ZINC000353382214 220053625 /nfs/dbraw/zinc/05/36/25/220053625.db2.gz PLZYHOQKHZAJCJ-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3sccc3C2)c[nH+]1 ZINC000353382214 220053627 /nfs/dbraw/zinc/05/36/27/220053627.db2.gz PLZYHOQKHZAJCJ-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000434776883 372709004 /nfs/dbraw/zinc/70/90/04/372709004.db2.gz OJQVRIDNXKYCDI-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000434776883 372709008 /nfs/dbraw/zinc/70/90/08/372709008.db2.gz OJQVRIDNXKYCDI-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000171416398 372753701 /nfs/dbraw/zinc/75/37/01/372753701.db2.gz YPATYPBXWCWMBJ-NSHDSACASA-N 2 2 261.394 3.373 20 0 CGADLP CC[N@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000435615826 372784646 /nfs/dbraw/zinc/78/46/46/372784646.db2.gz QOASQOIATFRUJN-ZDUSSCGKSA-N 2 2 289.448 3.260 20 0 CGADLP CC[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000435615826 372784656 /nfs/dbraw/zinc/78/46/56/372784656.db2.gz QOASQOIATFRUJN-ZDUSSCGKSA-N 2 2 289.448 3.260 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000435878949 372824572 /nfs/dbraw/zinc/82/45/72/372824572.db2.gz HRVBGILSZORBGJ-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000435878949 372824583 /nfs/dbraw/zinc/82/45/83/372824583.db2.gz HRVBGILSZORBGJ-AWEZNQCLSA-N 2 2 297.240 3.196 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000295571985 372830497 /nfs/dbraw/zinc/83/04/97/372830497.db2.gz AQZGKHPLQPWOJW-HIFRSBDPSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000295571985 372830505 /nfs/dbraw/zinc/83/05/05/372830505.db2.gz AQZGKHPLQPWOJW-HIFRSBDPSA-N 2 2 282.378 3.142 20 0 CGADLP CC1CC[NH+](CC[NH2+]CCCCOc2ccccc2)CC1 ZINC000438085406 372873275 /nfs/dbraw/zinc/87/32/75/372873275.db2.gz NTISIMAWVQSBJT-UHFFFAOYSA-N 2 2 290.451 3.167 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353508697 220126419 /nfs/dbraw/zinc/12/64/19/220126419.db2.gz WBNJGKKSHIMUGF-QGZVFWFLSA-N 2 2 293.430 3.382 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cccc(O)c1)[NH+](C)C ZINC000442986349 373137435 /nfs/dbraw/zinc/13/74/35/373137435.db2.gz BUQAXJZFWJEYPX-DNVCBOLYSA-N 2 2 298.430 3.482 20 0 CGADLP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000174135655 373255835 /nfs/dbraw/zinc/25/58/35/373255835.db2.gz JSAQFTIFAPEPJD-AEFFLSMTSA-N 2 2 299.418 3.166 20 0 CGADLP CCC(CC)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000298422832 373324243 /nfs/dbraw/zinc/32/42/43/373324243.db2.gz RPGULTUTGCIXQW-UHFFFAOYSA-N 2 2 271.408 3.457 20 0 CGADLP Cc1cccc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000298434785 373328422 /nfs/dbraw/zinc/32/84/22/373328422.db2.gz NFPLFXBUYQDXBN-UHFFFAOYSA-N 2 2 281.403 3.060 20 0 CGADLP Cc1cccc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000298434785 373328430 /nfs/dbraw/zinc/32/84/30/373328430.db2.gz NFPLFXBUYQDXBN-UHFFFAOYSA-N 2 2 281.403 3.060 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000446760003 373360131 /nfs/dbraw/zinc/36/01/31/373360131.db2.gz DRUZVTXYQCEQGH-VYDXJSESSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000446760003 373360139 /nfs/dbraw/zinc/36/01/39/373360139.db2.gz DRUZVTXYQCEQGH-VYDXJSESSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CS1 ZINC000446843495 373371075 /nfs/dbraw/zinc/37/10/75/373371075.db2.gz NVOWBVFWRMBCJI-CABCVRRESA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CS1 ZINC000446843495 373371081 /nfs/dbraw/zinc/37/10/81/373371081.db2.gz NVOWBVFWRMBCJI-CABCVRRESA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000298909081 373433871 /nfs/dbraw/zinc/43/38/71/373433871.db2.gz NAANCYYQHQZNLK-WMLDXEAASA-N 2 2 299.418 3.481 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353656053 220230684 /nfs/dbraw/zinc/23/06/84/220230684.db2.gz ZLNLYMPYKAYDBA-UHFFFAOYSA-N 2 2 287.382 3.491 20 0 CGADLP CC(C)c1nc(NC[C@@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000301239041 373705773 /nfs/dbraw/zinc/70/57/73/373705773.db2.gz LMOCZVPUNSEQPF-CQSZACIVSA-N 2 2 276.428 3.134 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000178079274 373741903 /nfs/dbraw/zinc/74/19/03/373741903.db2.gz KWMGLSYORPUUAD-AWEZNQCLSA-N 2 2 280.375 3.172 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000178307651 373764194 /nfs/dbraw/zinc/76/41/94/373764194.db2.gz AALRSBQXKXMIFY-KRWDZBQOSA-N 2 2 276.424 3.222 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c[nH+]1 ZINC000449513380 373813763 /nfs/dbraw/zinc/81/37/63/373813763.db2.gz SGNKZLFMEQOQTO-ZWKOTPCHSA-N 2 2 292.467 3.201 20 0 CGADLP Cc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc[nH+]1 ZINC000302584398 373899706 /nfs/dbraw/zinc/89/97/06/373899706.db2.gz UJAJKHAHIYKWJR-OAHLLOKOSA-N 2 2 291.345 3.383 20 0 CGADLP Cc1cccc(NC[C@@H](C2CCCCC2)[NH+](C)C)[nH+]1 ZINC000302254296 373844521 /nfs/dbraw/zinc/84/45/21/373844521.db2.gz XZEJVYSHDYLALS-HNNXBMFYSA-N 2 2 261.413 3.312 20 0 CGADLP CC(C)CCc1ccc(NCc2c[nH+]cn2C)[nH+]c1 ZINC000449708414 373848448 /nfs/dbraw/zinc/84/84/48/373848448.db2.gz GPTCYNDCKXTTLR-UHFFFAOYSA-N 2 2 258.369 3.016 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449726109 373855944 /nfs/dbraw/zinc/85/59/44/373855944.db2.gz WOXXPDRVNHXBMD-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449726109 373855953 /nfs/dbraw/zinc/85/59/53/373855953.db2.gz WOXXPDRVNHXBMD-QWHCGFSZSA-N 2 2 281.469 3.215 20 0 CGADLP C[C@H](C[NH+]1CCCCCC1)Nc1[nH]c2ccccc2[nH+]1 ZINC000302376846 373857980 /nfs/dbraw/zinc/85/79/80/373857980.db2.gz HKEMGAVUKCZEOA-CYBMUJFWSA-N 2 2 272.396 3.239 20 0 CGADLP CC(C)c1nc(NCCn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000302777590 373958706 /nfs/dbraw/zinc/95/87/06/373958706.db2.gz GLCFHLWHRJFQQF-UHFFFAOYSA-N 2 2 287.411 3.206 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180433162 374006752 /nfs/dbraw/zinc/00/67/52/374006752.db2.gz KOSIULZTERKCBT-AWEZNQCLSA-N 2 2 277.371 3.281 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180433162 374006758 /nfs/dbraw/zinc/00/67/58/374006758.db2.gz KOSIULZTERKCBT-AWEZNQCLSA-N 2 2 277.371 3.281 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C)CC1 ZINC000450301644 374048758 /nfs/dbraw/zinc/04/87/58/374048758.db2.gz VGYKBPGKNCHULW-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C)CC1 ZINC000450301644 374048761 /nfs/dbraw/zinc/04/87/61/374048761.db2.gz VGYKBPGKNCHULW-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C)CC1 ZINC000450301644 374048767 /nfs/dbraw/zinc/04/87/67/374048767.db2.gz VGYKBPGKNCHULW-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C)CC1 ZINC000450301644 374048771 /nfs/dbraw/zinc/04/87/71/374048771.db2.gz VGYKBPGKNCHULW-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000306092192 374126134 /nfs/dbraw/zinc/12/61/34/374126134.db2.gz KCVHLJKXOWIUHR-GHMZBOCLSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000306092192 374126144 /nfs/dbraw/zinc/12/61/44/374126144.db2.gz KCVHLJKXOWIUHR-GHMZBOCLSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000450459831 374144633 /nfs/dbraw/zinc/14/46/33/374144633.db2.gz YGCAVXRLRUHPMS-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000450459831 374144639 /nfs/dbraw/zinc/14/46/39/374144639.db2.gz YGCAVXRLRUHPMS-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000450459831 374144646 /nfs/dbraw/zinc/14/46/46/374144646.db2.gz YGCAVXRLRUHPMS-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000450459831 374144651 /nfs/dbraw/zinc/14/46/51/374144651.db2.gz YGCAVXRLRUHPMS-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000450471172 374152771 /nfs/dbraw/zinc/15/27/71/374152771.db2.gz VTFRRHFZMIEAHP-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000450471172 374152779 /nfs/dbraw/zinc/15/27/79/374152779.db2.gz VTFRRHFZMIEAHP-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000450471172 374152785 /nfs/dbraw/zinc/15/27/85/374152785.db2.gz VTFRRHFZMIEAHP-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000450471172 374152791 /nfs/dbraw/zinc/15/27/91/374152791.db2.gz VTFRRHFZMIEAHP-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP Clc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310191422 374209980 /nfs/dbraw/zinc/20/99/80/374209980.db2.gz DFZQQQOXLNKTHX-MNOVXSKESA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310191422 374209986 /nfs/dbraw/zinc/20/99/86/374209986.db2.gz DFZQQQOXLNKTHX-MNOVXSKESA-N 2 2 270.829 3.118 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000182093400 374219229 /nfs/dbraw/zinc/21/92/29/374219229.db2.gz VPROZCKAZIHPKI-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000182093400 374219234 /nfs/dbraw/zinc/21/92/34/374219234.db2.gz VPROZCKAZIHPKI-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP C[N@@H+](CCC(=O)c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000182358810 374264255 /nfs/dbraw/zinc/26/42/55/374264255.db2.gz PSQWJFBSVNUKAF-KRWDZBQOSA-N 2 2 288.435 3.066 20 0 CGADLP C[N@H+](CCC(=O)c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000182358810 374264262 /nfs/dbraw/zinc/26/42/62/374264262.db2.gz PSQWJFBSVNUKAF-KRWDZBQOSA-N 2 2 288.435 3.066 20 0 CGADLP C[NH+](CCC(=O)c1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000182358810 374264271 /nfs/dbraw/zinc/26/42/71/374264271.db2.gz PSQWJFBSVNUKAF-KRWDZBQOSA-N 2 2 288.435 3.066 20 0 CGADLP C[NH+](CCC(=O)c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000182358810 374264279 /nfs/dbraw/zinc/26/42/79/374264279.db2.gz PSQWJFBSVNUKAF-KRWDZBQOSA-N 2 2 288.435 3.066 20 0 CGADLP Cc1sccc1C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000312061955 374267408 /nfs/dbraw/zinc/26/74/08/374267408.db2.gz ITWFABKOPFOBKW-MRXNPFEDSA-N 2 2 274.433 3.449 20 0 CGADLP Fc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000182234751 374240978 /nfs/dbraw/zinc/24/09/78/374240978.db2.gz RBWOOWCMZAXITN-UONOGXRCSA-N 2 2 274.383 3.031 20 0 CGADLP Fc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000182234751 374240985 /nfs/dbraw/zinc/24/09/85/374240985.db2.gz RBWOOWCMZAXITN-UONOGXRCSA-N 2 2 274.383 3.031 20 0 CGADLP C[N@H+](CCCCF)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121956 374243679 /nfs/dbraw/zinc/24/36/79/374243679.db2.gz UBZMXEPEADOZMX-UHFFFAOYSA-N 2 2 284.341 3.085 20 0 CGADLP C[N@@H+](CCCCF)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121956 374243683 /nfs/dbraw/zinc/24/36/83/374243683.db2.gz UBZMXEPEADOZMX-UHFFFAOYSA-N 2 2 284.341 3.085 20 0 CGADLP CC[C@H](F)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126273 374244006 /nfs/dbraw/zinc/24/40/06/374244006.db2.gz ZUERDDXNTVCHDQ-NSHDSACASA-N 2 2 284.341 3.083 20 0 CGADLP CC(C)Oc1ncccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000317087922 374338233 /nfs/dbraw/zinc/33/82/33/374338233.db2.gz LEAWSNJCOAPNBB-DLBZAZTESA-N 2 2 297.402 3.103 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328525410 374366445 /nfs/dbraw/zinc/36/64/45/374366445.db2.gz TXPOYMLIIUOPTK-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328525410 374366446 /nfs/dbraw/zinc/36/64/46/374366446.db2.gz TXPOYMLIIUOPTK-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1nc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)s1 ZINC000334142637 206060338 /nfs/dbraw/zinc/06/03/38/206060338.db2.gz OUYVKBNNKSGJOK-UHFFFAOYSA-N 2 2 293.480 3.210 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000091669696 541968664 /nfs/dbraw/zinc/96/86/64/541968664.db2.gz TVQWLCPANODREC-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP Cc1ccc(C2CCN(c3cc[nH+]c(C)c3)CC2)c[nH+]1 ZINC000334142829 374649345 /nfs/dbraw/zinc/64/93/45/374649345.db2.gz OVROCHDGBLXUCM-UHFFFAOYSA-N 2 2 267.376 3.477 20 0 CGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccccc1 ZINC000334559818 374858722 /nfs/dbraw/zinc/85/87/22/374858722.db2.gz LILGIJBPJZMDJK-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158500260 296224840 /nfs/dbraw/zinc/22/48/40/296224840.db2.gz YZYMITNTKWBZJB-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158500260 296224842 /nfs/dbraw/zinc/22/48/42/296224842.db2.gz YZYMITNTKWBZJB-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158500260 296224843 /nfs/dbraw/zinc/22/48/43/296224843.db2.gz YZYMITNTKWBZJB-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158500260 296224844 /nfs/dbraw/zinc/22/48/44/296224844.db2.gz YZYMITNTKWBZJB-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP Fc1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc(F)c1F ZINC000334618749 374911313 /nfs/dbraw/zinc/91/13/13/374911313.db2.gz JNNYXXDDGXDAGL-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000335059750 375098501 /nfs/dbraw/zinc/09/85/01/375098501.db2.gz OLTIRNWQECKMGL-JGVFFNPUSA-N 2 2 265.209 3.024 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000474468300 375111891 /nfs/dbraw/zinc/11/18/91/375111891.db2.gz MGDOOQKPJFOTBJ-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000474468300 375111896 /nfs/dbraw/zinc/11/18/96/375111896.db2.gz MGDOOQKPJFOTBJ-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188020229 375142257 /nfs/dbraw/zinc/14/22/57/375142257.db2.gz CQFPAMWUQRIGEF-QGPMSJSTSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Cl ZINC000335209301 375229209 /nfs/dbraw/zinc/22/92/09/375229209.db2.gz GQAHOQGYTOYSTQ-JQWIXIFHSA-N 2 2 293.773 3.341 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000189030757 375312834 /nfs/dbraw/zinc/31/28/34/375312834.db2.gz YETOASNMBRRVCA-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000189030757 375312840 /nfs/dbraw/zinc/31/28/40/375312840.db2.gz YETOASNMBRRVCA-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000189066120 375317995 /nfs/dbraw/zinc/31/79/95/375317995.db2.gz ZFTKGDJQXCGVPR-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000189066120 375317998 /nfs/dbraw/zinc/31/79/98/375317998.db2.gz ZFTKGDJQXCGVPR-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066120 375318006 /nfs/dbraw/zinc/31/80/06/375318006.db2.gz ZFTKGDJQXCGVPR-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066120 375318009 /nfs/dbraw/zinc/31/80/09/375318009.db2.gz ZFTKGDJQXCGVPR-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491596592 375336867 /nfs/dbraw/zinc/33/68/67/375336867.db2.gz MASUFZUHLMRUBM-GFCCVEGCSA-N 2 2 284.831 3.026 20 0 CGADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190325069 375495497 /nfs/dbraw/zinc/49/54/97/375495497.db2.gz LTPUTDFPYWZFNC-UHFFFAOYSA-N 2 2 294.483 3.145 20 0 CGADLP C(C[NH+]1CCOCC1)C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000190325069 375495501 /nfs/dbraw/zinc/49/55/01/375495501.db2.gz LTPUTDFPYWZFNC-UHFFFAOYSA-N 2 2 294.483 3.145 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]c2ccccc12 ZINC000190497347 375516833 /nfs/dbraw/zinc/51/68/33/375516833.db2.gz UYPWCLIQGJWCSB-UHFFFAOYSA-N 2 2 282.391 3.277 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]c2ccccc12 ZINC000190497347 375516839 /nfs/dbraw/zinc/51/68/39/375516839.db2.gz UYPWCLIQGJWCSB-UHFFFAOYSA-N 2 2 282.391 3.277 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)O1 ZINC000190957083 375555488 /nfs/dbraw/zinc/55/54/88/375555488.db2.gz YHDLNNTWCRYJSV-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC000190957083 375555495 /nfs/dbraw/zinc/55/54/95/375555495.db2.gz YHDLNNTWCRYJSV-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000336055847 375651008 /nfs/dbraw/zinc/65/10/08/375651008.db2.gz REEKABHWZGACNH-CMPLNLGQSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000336055847 375651014 /nfs/dbraw/zinc/65/10/14/375651014.db2.gz REEKABHWZGACNH-CMPLNLGQSA-N 2 2 293.461 3.041 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC000503920947 375653595 /nfs/dbraw/zinc/65/35/95/375653595.db2.gz QCMSIEYGJFLMPW-IAOVAPTHSA-N 2 2 278.415 3.453 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC000503920947 375653604 /nfs/dbraw/zinc/65/36/04/375653604.db2.gz QCMSIEYGJFLMPW-IAOVAPTHSA-N 2 2 278.415 3.453 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@H](C)C1 ZINC000191994578 375688590 /nfs/dbraw/zinc/68/85/90/375688590.db2.gz UFKDSZBOLPSDOK-CQSZACIVSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@H](C)C1 ZINC000191994578 375688597 /nfs/dbraw/zinc/68/85/97/375688597.db2.gz UFKDSZBOLPSDOK-CQSZACIVSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CCC1 ZINC000192019922 375689989 /nfs/dbraw/zinc/68/99/89/375689989.db2.gz AQQYLIVIKWANIW-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CCC1 ZINC000192019922 375689994 /nfs/dbraw/zinc/68/99/94/375689994.db2.gz AQQYLIVIKWANIW-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP CSC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000193657763 375905272 /nfs/dbraw/zinc/90/52/72/375905272.db2.gz DTZRWQLJALDBGC-UHFFFAOYSA-N 2 2 287.432 3.166 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000534309168 375970855 /nfs/dbraw/zinc/97/08/55/375970855.db2.gz ULGGDACVWPYCTJ-PBHICJAKSA-N 2 2 299.393 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000534309168 375970863 /nfs/dbraw/zinc/97/08/63/375970863.db2.gz ULGGDACVWPYCTJ-PBHICJAKSA-N 2 2 299.393 3.426 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccsc1Cl ZINC000336755837 375930957 /nfs/dbraw/zinc/93/09/57/375930957.db2.gz GODAMDZHQCTIJM-UHFFFAOYSA-N 2 2 260.834 3.223 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534348574 375979695 /nfs/dbraw/zinc/97/96/95/375979695.db2.gz FLJIVWUSDJVXPZ-TZMCWYRMSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534348574 375979703 /nfs/dbraw/zinc/97/97/03/375979703.db2.gz FLJIVWUSDJVXPZ-TZMCWYRMSA-N 2 2 273.355 3.110 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580028 375993984 /nfs/dbraw/zinc/99/39/84/375993984.db2.gz MWUGQBYRVAZZIB-CVEARBPZSA-N 2 2 269.392 3.361 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580028 375993988 /nfs/dbraw/zinc/99/39/88/375993988.db2.gz MWUGQBYRVAZZIB-CVEARBPZSA-N 2 2 269.392 3.361 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC000536598799 376100572 /nfs/dbraw/zinc/10/05/72/376100572.db2.gz OQGHPXXQALTLGJ-UHFFFAOYSA-N 2 2 273.207 3.179 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337162773 376108205 /nfs/dbraw/zinc/10/82/05/376108205.db2.gz WAJCLYOSSLFZAE-GDBMZVCRSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337162773 376108208 /nfs/dbraw/zinc/10/82/08/376108208.db2.gz WAJCLYOSSLFZAE-GDBMZVCRSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337167741 376110012 /nfs/dbraw/zinc/11/00/12/376110012.db2.gz AZARBTDGGMNGEN-JYJNAYRXSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337167741 376110018 /nfs/dbraw/zinc/11/00/18/376110018.db2.gz AZARBTDGGMNGEN-JYJNAYRXSA-N 2 2 263.429 3.448 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281984 376188748 /nfs/dbraw/zinc/18/87/48/376188748.db2.gz WWTXLZHEAPAPSV-ZDUSSCGKSA-N 2 2 282.378 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281984 376188750 /nfs/dbraw/zinc/18/87/50/376188750.db2.gz WWTXLZHEAPAPSV-ZDUSSCGKSA-N 2 2 282.378 3.444 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000337249570 376164725 /nfs/dbraw/zinc/16/47/25/376164725.db2.gz JLUNWTSQYLZYAW-JFIYKMOQSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000337249570 376164730 /nfs/dbraw/zinc/16/47/30/376164730.db2.gz JLUNWTSQYLZYAW-JFIYKMOQSA-N 2 2 290.451 3.053 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2ccccn2)[nH+]1 ZINC000538308657 376233450 /nfs/dbraw/zinc/23/34/50/376233450.db2.gz ZOXKBIPXCMTTAY-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2ccccn2)[nH+]1 ZINC000538308657 376233453 /nfs/dbraw/zinc/23/34/53/376233453.db2.gz ZOXKBIPXCMTTAY-INIZCTEOSA-N 2 2 278.359 3.066 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000538749983 376268327 /nfs/dbraw/zinc/26/83/27/376268327.db2.gz RILLDJOZVVJEKT-QGZVFWFLSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000538749983 376268332 /nfs/dbraw/zinc/26/83/32/376268332.db2.gz RILLDJOZVVJEKT-QGZVFWFLSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000538749983 376268340 /nfs/dbraw/zinc/26/83/40/376268340.db2.gz RILLDJOZVVJEKT-QGZVFWFLSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000538749983 376268349 /nfs/dbraw/zinc/26/83/49/376268349.db2.gz RILLDJOZVVJEKT-QGZVFWFLSA-N 2 2 290.426 3.298 20 0 CGADLP c1ccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000224292845 376274570 /nfs/dbraw/zinc/27/45/70/376274570.db2.gz CGTUHIVFFJXNSV-RDJZCZTQSA-N 2 2 290.476 3.166 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000338290194 376319035 /nfs/dbraw/zinc/31/90/35/376319035.db2.gz KTKIGWAEVPZXBQ-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000338290194 376319041 /nfs/dbraw/zinc/31/90/41/376319041.db2.gz KTKIGWAEVPZXBQ-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1cccc(C(C)(C)[NH2+]CC[NH+]2CCCCC2)c1 ZINC000539315730 376303012 /nfs/dbraw/zinc/30/30/12/376303012.db2.gz LDDCLNPNDCVMIQ-UHFFFAOYSA-N 2 2 260.425 3.306 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439325 376359830 /nfs/dbraw/zinc/35/98/30/376359830.db2.gz YEZLBLGJTNGTCC-CHWSQXEVSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226439325 376359831 /nfs/dbraw/zinc/35/98/31/376359831.db2.gz YEZLBLGJTNGTCC-CHWSQXEVSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752838 376394366 /nfs/dbraw/zinc/39/43/66/376394366.db2.gz KCBITLOJTMZZLD-CRAIPNDOSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752838 376394369 /nfs/dbraw/zinc/39/43/69/376394369.db2.gz KCBITLOJTMZZLD-CRAIPNDOSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338687568 376479888 /nfs/dbraw/zinc/47/98/88/376479888.db2.gz MNCXUQIDXAIAJZ-MUIFIZLQSA-N 2 2 269.392 3.053 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000338687598 376480554 /nfs/dbraw/zinc/48/05/54/376480554.db2.gz NDODMSGDCGQIIS-CQSZACIVSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000338687598 376480561 /nfs/dbraw/zinc/48/05/61/376480561.db2.gz NDODMSGDCGQIIS-CQSZACIVSA-N 2 2 264.457 3.419 20 0 CGADLP COc1cccc2c(NCC[N@H+]3CC=CCC3)c(C)c[nH+]c12 ZINC000338710481 376494010 /nfs/dbraw/zinc/49/40/10/376494010.db2.gz IETRKRMMAPETML-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP COc1cccc2c(NCC[N@@H+]3CC=CCC3)c(C)c[nH+]c12 ZINC000338710481 376494016 /nfs/dbraw/zinc/49/40/16/376494016.db2.gz IETRKRMMAPETML-UHFFFAOYSA-N 2 2 297.402 3.226 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000230660053 376525193 /nfs/dbraw/zinc/52/51/93/376525193.db2.gz WZURQFIWANRYRC-LSDHHAIUSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338777648 376529196 /nfs/dbraw/zinc/52/91/96/376529196.db2.gz ATHHFDDBYLKTRY-PAYONLEZSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338777648 376529204 /nfs/dbraw/zinc/52/92/04/376529204.db2.gz ATHHFDDBYLKTRY-PAYONLEZSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780837 376530340 /nfs/dbraw/zinc/53/03/40/376530340.db2.gz OLNNFNYXCJFWKS-BHYGNILZSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccncc2F)c[nH+]1 ZINC000338949508 376594407 /nfs/dbraw/zinc/59/44/07/376594407.db2.gz AEFSHIZGLRFIFI-CYBMUJFWSA-N 2 2 273.355 3.208 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000235724616 376649739 /nfs/dbraw/zinc/64/97/39/376649739.db2.gz XVMNADPGIMJTTJ-KSSFIOAISA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000235724616 376649748 /nfs/dbraw/zinc/64/97/48/376649748.db2.gz XVMNADPGIMJTTJ-KSSFIOAISA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCO1 ZINC000544356537 376724893 /nfs/dbraw/zinc/72/48/93/376724893.db2.gz CDWWVLLGTYOBNS-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCO1 ZINC000544356537 376724896 /nfs/dbraw/zinc/72/48/96/376724896.db2.gz CDWWVLLGTYOBNS-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cscn1 ZINC000543755121 376675882 /nfs/dbraw/zinc/67/58/82/376675882.db2.gz PVIAIXNOPJTDQI-MELADBBJSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cscn1 ZINC000543755121 376675887 /nfs/dbraw/zinc/67/58/87/376675887.db2.gz PVIAIXNOPJTDQI-MELADBBJSA-N 2 2 293.480 3.447 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245463157 376822104 /nfs/dbraw/zinc/82/21/04/376822104.db2.gz XFUBYXLARMXGIN-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245463157 376822109 /nfs/dbraw/zinc/82/21/09/376822109.db2.gz XFUBYXLARMXGIN-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000245463157 376822120 /nfs/dbraw/zinc/82/21/20/376822120.db2.gz XFUBYXLARMXGIN-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000245463157 376822124 /nfs/dbraw/zinc/82/21/24/376822124.db2.gz XFUBYXLARMXGIN-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000245548159 376848758 /nfs/dbraw/zinc/84/87/58/376848758.db2.gz YGEUMPYBHZIGLF-MGPQQGTHSA-N 2 2 281.469 3.162 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CCC[C@H]4CCC[C@H]43)c[nH+]c12 ZINC000245557293 376853129 /nfs/dbraw/zinc/85/31/29/376853129.db2.gz JTSYEOZGMNQJBC-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccn2c(C[N@H+]3CCC[C@H]4CCC[C@H]43)c[nH+]c12 ZINC000245557293 376853135 /nfs/dbraw/zinc/85/31/35/376853135.db2.gz JTSYEOZGMNQJBC-GDBMZVCRSA-N 2 2 269.392 3.407 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840334 376867250 /nfs/dbraw/zinc/86/72/50/376867250.db2.gz JKJHMDQYFSGCSI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840334 376867259 /nfs/dbraw/zinc/86/72/59/376867259.db2.gz JKJHMDQYFSGCSI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840334 376867265 /nfs/dbraw/zinc/86/72/65/376867265.db2.gz JKJHMDQYFSGCSI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840334 376867275 /nfs/dbraw/zinc/86/72/75/376867275.db2.gz JKJHMDQYFSGCSI-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000556935000 376908800 /nfs/dbraw/zinc/90/88/00/376908800.db2.gz JGTOQTMZTDRHCS-KRWDZBQOSA-N 2 2 298.434 3.074 20 0 CGADLP c1c[nH+]c(C2CC[NH+]([C@@H]3C=CCCCCC3)CC2)[nH]1 ZINC000340277578 376975870 /nfs/dbraw/zinc/97/58/70/376975870.db2.gz JFOUTCINZJRCGM-OAHLLOKOSA-N 2 2 259.397 3.478 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2c1C ZINC000558492667 377015004 /nfs/dbraw/zinc/01/50/04/377015004.db2.gz GHHVUXWERROUDU-CYBMUJFWSA-N 2 2 294.402 3.155 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cc2c1C ZINC000558492667 377015015 /nfs/dbraw/zinc/01/50/15/377015015.db2.gz GHHVUXWERROUDU-CYBMUJFWSA-N 2 2 294.402 3.155 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000558698531 377035674 /nfs/dbraw/zinc/03/56/74/377035674.db2.gz HOZGDLQPQFGIPW-ZIAGYGMSSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000558698531 377035677 /nfs/dbraw/zinc/03/56/77/377035677.db2.gz HOZGDLQPQFGIPW-ZIAGYGMSSA-N 2 2 296.405 3.217 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccnc3ccccc13)CCCC2 ZINC000560071699 377118103 /nfs/dbraw/zinc/11/81/03/377118103.db2.gz KQNKXBBNFAWUTF-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000246944453 377124048 /nfs/dbraw/zinc/12/40/48/377124048.db2.gz HASNSYCWBQBDHU-FPMFFAJLSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1F ZINC000340480584 377091110 /nfs/dbraw/zinc/09/11/10/377091110.db2.gz SITKDVUPGHDDQA-IUODEOHRSA-N 2 2 281.419 3.238 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000560343102 377141813 /nfs/dbraw/zinc/14/18/13/377141813.db2.gz GZODNNBIZBISEU-GXTWGEPZSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccsc1 ZINC000560343102 377141820 /nfs/dbraw/zinc/14/18/20/377141820.db2.gz GZODNNBIZBISEU-GXTWGEPZSA-N 2 2 252.427 3.131 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000247156698 377169635 /nfs/dbraw/zinc/16/96/35/377169635.db2.gz RTMVSVTZHWVDAK-YNEHKIRRSA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000247156698 377169638 /nfs/dbraw/zinc/16/96/38/377169638.db2.gz RTMVSVTZHWVDAK-YNEHKIRRSA-N 2 2 281.469 3.085 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225619 377179953 /nfs/dbraw/zinc/17/99/53/377179953.db2.gz WQTZUNJDAWPVGE-QWHCGFSZSA-N 2 2 281.469 3.086 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225619 377179966 /nfs/dbraw/zinc/17/99/66/377179966.db2.gz WQTZUNJDAWPVGE-QWHCGFSZSA-N 2 2 281.469 3.086 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C1 ZINC000561358121 377222406 /nfs/dbraw/zinc/22/24/06/377222406.db2.gz VKAWERNQVLIFDF-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)[C@@H](C)C1 ZINC000561358121 377222415 /nfs/dbraw/zinc/22/24/15/377222415.db2.gz VKAWERNQVLIFDF-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1cc(N[C@@H](C)C[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000561432008 377226468 /nfs/dbraw/zinc/22/64/68/377226468.db2.gz RDTXTQXITJXZTP-NSHDSACASA-N 2 2 261.344 3.044 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936594 377246436 /nfs/dbraw/zinc/24/64/36/377246436.db2.gz COIMPLCDQYZPQV-DVOMOZLQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936594 377246443 /nfs/dbraw/zinc/24/64/43/377246443.db2.gz COIMPLCDQYZPQV-DVOMOZLQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247936594 377246449 /nfs/dbraw/zinc/24/64/49/377246449.db2.gz COIMPLCDQYZPQV-DVOMOZLQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936594 377246457 /nfs/dbraw/zinc/24/64/57/377246457.db2.gz COIMPLCDQYZPQV-DVOMOZLQSA-N 2 2 294.389 3.442 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000247944561 377246876 /nfs/dbraw/zinc/24/68/76/377246876.db2.gz HFFVLPKSMVBQDF-HIFRSBDPSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000247944561 377246888 /nfs/dbraw/zinc/24/68/88/377246888.db2.gz HFFVLPKSMVBQDF-HIFRSBDPSA-N 2 2 294.439 3.437 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000562519470 377320662 /nfs/dbraw/zinc/32/06/62/377320662.db2.gz LHROXSSJKBWCJL-PMPSAXMXSA-N 2 2 263.429 3.468 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248652267 377375543 /nfs/dbraw/zinc/37/55/43/377375543.db2.gz YCWHZPXCCLMLCL-YQQAZPJKSA-N 2 2 278.440 3.083 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563136199 377408360 /nfs/dbraw/zinc/40/83/60/377408360.db2.gz IPIFQRHLZIJUSZ-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000563136199 377408365 /nfs/dbraw/zinc/40/83/65/377408365.db2.gz IPIFQRHLZIJUSZ-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2csc(CC)n2)CC1 ZINC000162267653 542164039 /nfs/dbraw/zinc/16/40/39/542164039.db2.gz XREUECYMDSDUQD-LBPRGKRZSA-N 2 2 281.469 3.231 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249147804 377472756 /nfs/dbraw/zinc/47/27/56/377472756.db2.gz XEVKQLBNIQEHGT-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249147804 377472762 /nfs/dbraw/zinc/47/27/62/377472762.db2.gz XEVKQLBNIQEHGT-GJZGRUSLSA-N 2 2 250.430 3.031 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000091670698 249031536 /nfs/dbraw/zinc/03/15/36/249031536.db2.gz BJRRYCIWZAACSE-FYWRMAATSA-N 2 2 258.409 3.116 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1Cl ZINC000313286070 249090691 /nfs/dbraw/zinc/09/06/91/249090691.db2.gz UKCSRWOBIAHMCE-SNVBAGLBSA-N 2 2 281.762 3.106 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1C(F)(F)F ZINC000313277281 249090424 /nfs/dbraw/zinc/09/04/24/249090424.db2.gz ZQLJZQGQFOHVLX-NSHDSACASA-N 2 2 297.324 3.332 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250257288 377557516 /nfs/dbraw/zinc/55/75/16/377557516.db2.gz ULUFPOQKIRUARQ-RYUDHWBXSA-N 2 2 285.313 3.139 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250257288 377557522 /nfs/dbraw/zinc/55/75/22/377557522.db2.gz ULUFPOQKIRUARQ-RYUDHWBXSA-N 2 2 285.313 3.139 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858313 249245877 /nfs/dbraw/zinc/24/58/77/249245877.db2.gz BWUVQKGKOAWUFG-ZWQIFLOQSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858313 249245878 /nfs/dbraw/zinc/24/58/78/249245878.db2.gz BWUVQKGKOAWUFG-ZWQIFLOQSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000180547348 542212008 /nfs/dbraw/zinc/21/20/08/542212008.db2.gz PGOXOSMWGGZPEI-WMLDXEAASA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000180547348 542212010 /nfs/dbraw/zinc/21/20/10/542212010.db2.gz PGOXOSMWGGZPEI-WMLDXEAASA-N 2 2 298.434 3.033 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000252388302 377619322 /nfs/dbraw/zinc/61/93/22/377619322.db2.gz DMZIJMBLUCRJPD-CHWSQXEVSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000252388302 377619325 /nfs/dbraw/zinc/61/93/25/377619325.db2.gz DMZIJMBLUCRJPD-CHWSQXEVSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C[N@@H+]1C1CC1 ZINC000252708765 377651599 /nfs/dbraw/zinc/65/15/99/377651599.db2.gz BAWJGOOIDNWNGK-SRTKAIALSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C[N@H+]1C1CC1 ZINC000252708765 377651608 /nfs/dbraw/zinc/65/16/08/377651608.db2.gz BAWJGOOIDNWNGK-SRTKAIALSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1ccccc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342679335 377730972 /nfs/dbraw/zinc/73/09/72/377730972.db2.gz HZDUANKGKMASNS-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000342679335 377730974 /nfs/dbraw/zinc/73/09/74/377730974.db2.gz HZDUANKGKMASNS-UHFFFAOYSA-N 2 2 265.360 3.275 20 0 CGADLP C[C@H](C[NH2+]CC(C)(C)c1ccccc1)Cn1cc[nH+]c1 ZINC000181717334 542221093 /nfs/dbraw/zinc/22/10/93/542221093.db2.gz UFHUCSLJZMPNKD-OAHLLOKOSA-N 2 2 271.408 3.087 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261692268 377839959 /nfs/dbraw/zinc/83/99/59/377839959.db2.gz HNXJWFHVUDCDTD-WMLDXEAASA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261692268 377839967 /nfs/dbraw/zinc/83/99/67/377839967.db2.gz HNXJWFHVUDCDTD-WMLDXEAASA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)CCc3ccco3)c[nH+]c12 ZINC000342926747 377862484 /nfs/dbraw/zinc/86/24/84/377862484.db2.gz DRVUKQLAXBPFJU-CQSZACIVSA-N 2 2 283.375 3.347 20 0 CGADLP C[N@H+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261988302 377875605 /nfs/dbraw/zinc/87/56/05/377875605.db2.gz SQHDWECTXJPEBC-FKEKPDDDSA-N 2 2 297.402 3.056 20 0 CGADLP C[N@@H+](Cc1coc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261988302 377875608 /nfs/dbraw/zinc/87/56/08/377875608.db2.gz SQHDWECTXJPEBC-FKEKPDDDSA-N 2 2 297.402 3.056 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012374 377877647 /nfs/dbraw/zinc/87/76/47/377877647.db2.gz VEULWZHXHQKVQR-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012374 377877652 /nfs/dbraw/zinc/87/76/52/377877652.db2.gz VEULWZHXHQKVQR-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262079555 377885087 /nfs/dbraw/zinc/88/50/87/377885087.db2.gz SWKZXSCCFZZBLY-INIZCTEOSA-N 2 2 290.794 3.272 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262079555 377885094 /nfs/dbraw/zinc/88/50/94/377885094.db2.gz SWKZXSCCFZZBLY-INIZCTEOSA-N 2 2 290.794 3.272 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107581 377886054 /nfs/dbraw/zinc/88/60/54/377886054.db2.gz WDBWVKHIBBFNDD-RDTXWAMCSA-N 2 2 288.435 3.177 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107581 377886061 /nfs/dbraw/zinc/88/60/61/377886061.db2.gz WDBWVKHIBBFNDD-RDTXWAMCSA-N 2 2 288.435 3.177 20 0 CGADLP [NH3+]CC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000263091820 377917940 /nfs/dbraw/zinc/91/79/40/377917940.db2.gz YNAWMCZPUVMRAC-UHFFFAOYSA-N 2 2 295.839 3.088 20 0 CGADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000343314294 377950281 /nfs/dbraw/zinc/95/02/81/377950281.db2.gz MJCQEHDCTNFYIQ-UHFFFAOYSA-N 2 2 285.435 3.474 20 0 CGADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000343314294 377950285 /nfs/dbraw/zinc/95/02/85/377950285.db2.gz MJCQEHDCTNFYIQ-UHFFFAOYSA-N 2 2 285.435 3.474 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1F ZINC000343633126 378049396 /nfs/dbraw/zinc/04/93/96/378049396.db2.gz BPCZQQCWQHLQRU-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000268804193 378116213 /nfs/dbraw/zinc/11/62/13/378116213.db2.gz INASZWFROVJBHT-ZJUUUORDSA-N 2 2 283.297 3.040 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000579347995 378150831 /nfs/dbraw/zinc/15/08/31/378150831.db2.gz SCPBVXGPWINANO-GOSISDBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000268746209 378101730 /nfs/dbraw/zinc/10/17/30/378101730.db2.gz SAKBFMBGVNJKNV-OHUAYANFSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000268746209 378101731 /nfs/dbraw/zinc/10/17/31/378101731.db2.gz SAKBFMBGVNJKNV-OHUAYANFSA-N 2 2 280.362 3.098 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)n1C ZINC000580330648 378242808 /nfs/dbraw/zinc/24/28/08/378242808.db2.gz QFQVRZPPUYAIKS-HOCLYGCPSA-N 2 2 263.429 3.423 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000270854908 378405989 /nfs/dbraw/zinc/40/59/89/378405989.db2.gz IXPOBZFGCZLJFU-CRAIPNDOSA-N 2 2 283.419 3.145 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000270854908 378405993 /nfs/dbraw/zinc/40/59/93/378405993.db2.gz IXPOBZFGCZLJFU-CRAIPNDOSA-N 2 2 283.419 3.145 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946222 378416722 /nfs/dbraw/zinc/41/67/22/378416722.db2.gz ZOHMLCJOVFQSHI-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946222 378416730 /nfs/dbraw/zinc/41/67/30/378416730.db2.gz ZOHMLCJOVFQSHI-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1C[C@H](C)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168187 378487994 /nfs/dbraw/zinc/48/79/94/378487994.db2.gz CEWXJYREQULZTB-RYUDHWBXSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@H]1C[C@H](C)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346168187 378488000 /nfs/dbraw/zinc/48/80/00/378488000.db2.gz CEWXJYREQULZTB-RYUDHWBXSA-N 2 2 261.394 3.164 20 0 CGADLP COC1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000346231545 378513267 /nfs/dbraw/zinc/51/32/67/378513267.db2.gz XOGDXOFHAGNCNC-NXVRBGIVSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)C[N@@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000346328792 378546775 /nfs/dbraw/zinc/54/67/75/378546775.db2.gz QDVOKYROLLEIMJ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC(C)C[N@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000346328792 378546778 /nfs/dbraw/zinc/54/67/78/378546778.db2.gz QDVOKYROLLEIMJ-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000346328733 378547016 /nfs/dbraw/zinc/54/70/16/378547016.db2.gz PQIYVLDRXDHPSU-UHFFFAOYSA-N 2 2 299.418 3.043 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@@H+]1C ZINC000346343064 378551339 /nfs/dbraw/zinc/55/13/39/378551339.db2.gz VIKBYOAZAJQZJH-XNPDXQRHSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@H+]1C ZINC000346343064 378551344 /nfs/dbraw/zinc/55/13/44/378551344.db2.gz VIKBYOAZAJQZJH-XNPDXQRHSA-N 2 2 276.399 3.144 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000272045687 378551580 /nfs/dbraw/zinc/55/15/80/378551580.db2.gz YPGTVEHNNBHJCI-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CCC[N@H+]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000272045687 378551583 /nfs/dbraw/zinc/55/15/83/378551583.db2.gz YPGTVEHNNBHJCI-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272330304 378613307 /nfs/dbraw/zinc/61/33/07/378613307.db2.gz WGGVSWGOBBMZLK-CYBMUJFWSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272330304 378613310 /nfs/dbraw/zinc/61/33/10/378613310.db2.gz WGGVSWGOBBMZLK-CYBMUJFWSA-N 2 2 273.355 3.237 20 0 CGADLP C(C[NH2+]CC1([NH+]2CCCCC2)CCCCC1)C[C@@H]1CCO1 ZINC000638280938 378752753 /nfs/dbraw/zinc/75/27/53/378752753.db2.gz HBMVLUIVPDRGDC-QGZVFWFLSA-N 2 2 294.483 3.334 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000347925778 378731834 /nfs/dbraw/zinc/73/18/34/378731834.db2.gz RVKIVQLOIMISGP-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638359803 378778048 /nfs/dbraw/zinc/77/80/48/378778048.db2.gz RXVMVGIOHMLWLJ-DJIMGWMZSA-N 2 2 269.392 3.055 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000348101643 378792036 /nfs/dbraw/zinc/79/20/36/378792036.db2.gz IQCYBHBOJKIGIW-IRXDYDNUSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1F ZINC000348186091 378829944 /nfs/dbraw/zinc/82/99/44/378829944.db2.gz LRCOOXBLOBZAFY-WFASDCNBSA-N 2 2 273.355 3.078 20 0 CGADLP Cc1cc[nH+]cc1CCCN(C)CC[NH+](C(C)C)C(C)C ZINC000348225323 378849067 /nfs/dbraw/zinc/84/90/67/378849067.db2.gz XVIBYFACZLIWDY-UHFFFAOYSA-N 2 2 291.483 3.373 20 0 CGADLP COC1(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000318926112 284726659 /nfs/dbraw/zinc/72/66/59/284726659.db2.gz DTOOAAWIVYTTJY-QGZVFWFLSA-N 2 2 290.451 3.228 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000347010159 218091681 /nfs/dbraw/zinc/09/16/81/218091681.db2.gz GAVUSRVKZKQZRK-ZDUSSCGKSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000347010159 218091683 /nfs/dbraw/zinc/09/16/83/218091683.db2.gz GAVUSRVKZKQZRK-ZDUSSCGKSA-N 2 2 290.407 3.477 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC000347040440 218102139 /nfs/dbraw/zinc/10/21/39/218102139.db2.gz HXTVXQDFOASETJ-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC[NH2+]CC1 ZINC000347040440 218102140 /nfs/dbraw/zinc/10/21/40/218102140.db2.gz HXTVXQDFOASETJ-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000348426216 378951927 /nfs/dbraw/zinc/95/19/27/378951927.db2.gz WDJQBOBAHGKANJ-RKVPGOIHSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)c1ncc(C[NH+]2CCC([NH2+]CC3CC3)CC2)s1 ZINC000347107708 218124531 /nfs/dbraw/zinc/12/45/31/218124531.db2.gz ONJMDKLTIZMCAQ-UHFFFAOYSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000639054350 378988492 /nfs/dbraw/zinc/98/84/92/378988492.db2.gz OZCRLSCBNDNIBY-VRKREXBASA-N 2 2 278.465 3.161 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC[NH2+]CC1 ZINC000347120431 218129166 /nfs/dbraw/zinc/12/91/66/218129166.db2.gz VRIXJHIWKVUEOC-UHFFFAOYSA-N 2 2 299.393 3.072 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC[NH2+]CC1 ZINC000347120431 218129168 /nfs/dbraw/zinc/12/91/68/218129168.db2.gz VRIXJHIWKVUEOC-UHFFFAOYSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000370306622 379005462 /nfs/dbraw/zinc/00/54/62/379005462.db2.gz WOTBHZHFVWONCR-NWANDNLSSA-N 2 2 262.397 3.174 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000370306622 379005466 /nfs/dbraw/zinc/00/54/66/379005466.db2.gz WOTBHZHFVWONCR-NWANDNLSSA-N 2 2 262.397 3.174 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000347142671 218135449 /nfs/dbraw/zinc/13/54/49/218135449.db2.gz XDDQQMNZWOFQDK-IBGZPJMESA-N 2 2 293.414 3.075 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000347142671 218135450 /nfs/dbraw/zinc/13/54/50/218135450.db2.gz XDDQQMNZWOFQDK-IBGZPJMESA-N 2 2 293.414 3.075 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000347187864 218150478 /nfs/dbraw/zinc/15/04/78/218150478.db2.gz CRBLOCMSOBAYRB-CQSZACIVSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000347187864 218150479 /nfs/dbraw/zinc/15/04/79/218150479.db2.gz CRBLOCMSOBAYRB-CQSZACIVSA-N 2 2 266.816 3.080 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccco1 ZINC000276961558 379031700 /nfs/dbraw/zinc/03/17/00/379031700.db2.gz WPQKMSCRQJFVQC-ZDUSSCGKSA-N 2 2 250.386 3.052 20 0 CGADLP Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000347412060 218224910 /nfs/dbraw/zinc/22/49/10/218224910.db2.gz KJYOFHDHXGJYNX-CQSZACIVSA-N 2 2 290.455 3.075 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000639192049 379115715 /nfs/dbraw/zinc/11/57/15/379115715.db2.gz OSKSCENEWZHHQT-KFWWJZLASA-N 2 2 273.424 3.382 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000639192049 379115728 /nfs/dbraw/zinc/11/57/28/379115728.db2.gz OSKSCENEWZHHQT-KFWWJZLASA-N 2 2 273.424 3.382 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000277276668 379117459 /nfs/dbraw/zinc/11/74/59/379117459.db2.gz RZQXXXGSFGUEMC-HNNXBMFYSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000277276668 379117467 /nfs/dbraw/zinc/11/74/67/379117467.db2.gz RZQXXXGSFGUEMC-HNNXBMFYSA-N 2 2 266.816 3.256 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277347601 379138782 /nfs/dbraw/zinc/13/87/82/379138782.db2.gz WLWSWFRPZFLRIF-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277347601 379138789 /nfs/dbraw/zinc/13/87/89/379138789.db2.gz WLWSWFRPZFLRIF-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000349181855 379180037 /nfs/dbraw/zinc/18/00/37/379180037.db2.gz FTFQKGMZKFWBHB-IPYPFGDCSA-N 2 2 285.391 3.126 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000349181855 379180045 /nfs/dbraw/zinc/18/00/45/379180045.db2.gz FTFQKGMZKFWBHB-IPYPFGDCSA-N 2 2 285.391 3.126 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC000278796020 194160097 /nfs/dbraw/zinc/16/00/97/194160097.db2.gz WCFLHHYACMWVFA-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2sccc2Cl)CC1 ZINC000278796020 194160099 /nfs/dbraw/zinc/16/00/99/194160099.db2.gz WCFLHHYACMWVFA-NSHDSACASA-N 2 2 272.845 3.318 20 0 CGADLP CC(C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481044 379285486 /nfs/dbraw/zinc/28/54/86/379285486.db2.gz CXKXJLQKIIEBSP-XGNXJENSSA-N 2 2 292.389 3.426 20 0 CGADLP CC[C@@H](c1ccccc1OC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000347554723 218272384 /nfs/dbraw/zinc/27/23/84/218272384.db2.gz JKZIBJLSIFSSBT-INIZCTEOSA-N 2 2 287.407 3.365 20 0 CGADLP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000347554723 218272386 /nfs/dbraw/zinc/27/23/86/218272386.db2.gz JKZIBJLSIFSSBT-INIZCTEOSA-N 2 2 287.407 3.365 20 0 CGADLP Cc1nc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000639374843 379330569 /nfs/dbraw/zinc/33/05/69/379330569.db2.gz LOPRQZLKCMTIFB-UHFFFAOYSA-N 2 2 293.480 3.210 20 0 CGADLP CCc1nocc1C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639376089 379333872 /nfs/dbraw/zinc/33/38/72/379333872.db2.gz SYNALWDZMIPOPQ-UHFFFAOYSA-N 2 2 291.439 3.077 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Cl)o2)CC1 ZINC000349815917 379395879 /nfs/dbraw/zinc/39/58/79/379395879.db2.gz HSBBDAHZJBFIGJ-UHFFFAOYSA-N 2 2 270.804 3.238 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)o2)CC1 ZINC000349815917 379395889 /nfs/dbraw/zinc/39/58/89/379395889.db2.gz HSBBDAHZJBFIGJ-UHFFFAOYSA-N 2 2 270.804 3.238 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000639389689 379355173 /nfs/dbraw/zinc/35/51/73/379355173.db2.gz NETDTXWHCQNWEE-MSOLQXFVSA-N 2 2 288.435 3.260 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000639600152 379500513 /nfs/dbraw/zinc/50/05/13/379500513.db2.gz QLDBDRGHLOQRGY-YOEHRIQHSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1ccsc1[C@H](CO)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000639595888 379500661 /nfs/dbraw/zinc/50/06/61/379500661.db2.gz QMESYIIQBBTXJB-HNNXBMFYSA-N 2 2 290.432 3.200 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1ccco1 ZINC000639579938 379489727 /nfs/dbraw/zinc/48/97/27/379489727.db2.gz MODMMGHEIYJOMW-MRXNPFEDSA-N 2 2 288.391 3.467 20 0 CGADLP c1cc2c(cccc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)[nH]1 ZINC000377230776 379649531 /nfs/dbraw/zinc/64/95/31/379649531.db2.gz FUWWFLWSOPDHGX-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000267214744 190312587 /nfs/dbraw/zinc/31/25/87/190312587.db2.gz MLFZLFZUQXPDQD-PBHICJAKSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000267214744 190312588 /nfs/dbraw/zinc/31/25/88/190312588.db2.gz MLFZLFZUQXPDQD-PBHICJAKSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280306371 379672518 /nfs/dbraw/zinc/67/25/18/379672518.db2.gz OMOSMHXUDAKQNL-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280306371 379672524 /nfs/dbraw/zinc/67/25/24/379672524.db2.gz OMOSMHXUDAKQNL-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)n1 ZINC000639983413 379673244 /nfs/dbraw/zinc/67/32/44/379673244.db2.gz HEADMKPMHFBPHT-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377799072 379743693 /nfs/dbraw/zinc/74/36/93/379743693.db2.gz QIEMVYCABFWZQA-SWLSCSKDSA-N 2 2 269.392 3.180 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377799072 379743698 /nfs/dbraw/zinc/74/36/98/379743698.db2.gz QIEMVYCABFWZQA-SWLSCSKDSA-N 2 2 269.392 3.180 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)cc1F)CCC2 ZINC000377833352 379747557 /nfs/dbraw/zinc/74/75/57/379747557.db2.gz YQRKHTUVCUEJRL-ZDUSSCGKSA-N 2 2 291.345 3.137 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000280720962 379772976 /nfs/dbraw/zinc/77/29/76/379772976.db2.gz UYHQMUZTWMWGIW-QSPRXWTASA-N 2 2 270.420 3.147 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000280720962 379772980 /nfs/dbraw/zinc/77/29/80/379772980.db2.gz UYHQMUZTWMWGIW-QSPRXWTASA-N 2 2 270.420 3.147 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281928729 379847629 /nfs/dbraw/zinc/84/76/29/379847629.db2.gz OOJPEIRNISGYIB-HNNXBMFYSA-N 2 2 296.418 3.307 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)c[nH+]1 ZINC000282445884 379921056 /nfs/dbraw/zinc/92/10/56/379921056.db2.gz ZORFDFNRYKGPMQ-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417037 379897976 /nfs/dbraw/zinc/89/79/76/379897976.db2.gz UKGOOQTZNLPYCH-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417037 379897981 /nfs/dbraw/zinc/89/79/81/379897981.db2.gz UKGOOQTZNLPYCH-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000389810379 379903917 /nfs/dbraw/zinc/90/39/17/379903917.db2.gz FIVDAZKZPCKFNW-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000389810379 379903919 /nfs/dbraw/zinc/90/39/19/379903919.db2.gz FIVDAZKZPCKFNW-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000352810609 379975743 /nfs/dbraw/zinc/97/57/43/379975743.db2.gz OCGMTOCVVUKGGV-RDTXWAMCSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c21 ZINC000352810609 379975747 /nfs/dbraw/zinc/97/57/47/379975747.db2.gz OCGMTOCVVUKGGV-RDTXWAMCSA-N 2 2 297.446 3.091 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031193 379932407 /nfs/dbraw/zinc/93/24/07/379932407.db2.gz LXFNCNMTVABDEB-JTNHKYCSSA-N 2 2 252.789 3.131 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccccc2)s1 ZINC000352765057 379948386 /nfs/dbraw/zinc/94/83/86/379948386.db2.gz IPWMBLPQSAVVPA-UHFFFAOYSA-N 2 2 289.448 3.230 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400342491 379949541 /nfs/dbraw/zinc/94/95/41/379949541.db2.gz HCTDMYQPVQXUCQ-VBQJREDUSA-N 2 2 276.424 3.265 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000641342695 379991576 /nfs/dbraw/zinc/99/15/76/379991576.db2.gz HSFLQLFZACIVOR-HNNXBMFYSA-N 2 2 284.407 3.417 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871914 218385101 /nfs/dbraw/zinc/38/51/01/218385101.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871914 218385103 /nfs/dbraw/zinc/38/51/03/218385103.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871914 218385105 /nfs/dbraw/zinc/38/51/05/218385105.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000347871914 218385108 /nfs/dbraw/zinc/38/51/08/218385108.db2.gz TUOOCDNSJAECJS-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CN(CCCn1cc[nH+]c1)c1cc(C(C)(C)C)cc[nH+]1 ZINC000641446577 380006442 /nfs/dbraw/zinc/00/64/42/380006442.db2.gz JULVUUYWNIZHQQ-UHFFFAOYSA-N 2 2 272.396 3.102 20 0 CGADLP Fc1c[nH+]ccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000641456524 380009360 /nfs/dbraw/zinc/00/93/60/380009360.db2.gz QFDHTXAGMAMEOJ-UHFFFAOYSA-N 2 2 291.414 3.313 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000352924680 380041607 /nfs/dbraw/zinc/04/16/07/380041607.db2.gz HNIZGXATTJVYNG-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000352924680 380041609 /nfs/dbraw/zinc/04/16/09/380041609.db2.gz HNIZGXATTJVYNG-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ncc(-c2ccccc2)o1 ZINC000641802559 380113405 /nfs/dbraw/zinc/11/34/05/380113405.db2.gz MQNBUMJTDRHNDC-TUKIKUTGSA-N 2 2 285.391 3.118 20 0 CGADLP c1cn(Cc2ccc(NC3CCCCCC3)[nH+]c2)c[nH+]1 ZINC000353137884 380134021 /nfs/dbraw/zinc/13/40/21/380134021.db2.gz MHZMLPVECFUACO-UHFFFAOYSA-N 2 2 270.380 3.461 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)c1cc2cccc(F)c2o1 ZINC000353211116 380168790 /nfs/dbraw/zinc/16/87/90/380168790.db2.gz RCCTXELHPCKYIX-SNVBAGLBSA-N 2 2 273.311 3.156 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414165513 380196209 /nfs/dbraw/zinc/19/62/09/380196209.db2.gz PRDVSXZRORAQHF-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000414165513 380196216 /nfs/dbraw/zinc/19/62/16/380196216.db2.gz PRDVSXZRORAQHF-AIANPOQGSA-N 2 2 260.425 3.141 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000353909421 380229095 /nfs/dbraw/zinc/22/90/95/380229095.db2.gz ARCCNTUUKSHJTB-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000353910962 380229574 /nfs/dbraw/zinc/22/95/74/380229574.db2.gz FMGGOPZNXOFYLO-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000353910962 380229580 /nfs/dbraw/zinc/22/95/80/380229580.db2.gz FMGGOPZNXOFYLO-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500953 380322740 /nfs/dbraw/zinc/32/27/40/380322740.db2.gz KGOHBGRRBAAGLX-WCQYABFASA-N 2 2 282.815 3.141 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000643501300 380323228 /nfs/dbraw/zinc/32/32/28/380323228.db2.gz CHXYUFWBVWAKHR-JSGCOSHPSA-N 2 2 298.377 3.471 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501280 380323286 /nfs/dbraw/zinc/32/32/86/380323286.db2.gz BLHIPJRSOCBJDN-UKRRQHHQSA-N 2 2 294.826 3.285 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643501747 380324325 /nfs/dbraw/zinc/32/43/25/380324325.db2.gz PCWSDVMNTUWJHH-TZMCWYRMSA-N 2 2 262.397 3.025 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cnc2ccsc2c1 ZINC000643502172 380325031 /nfs/dbraw/zinc/32/50/31/380325031.db2.gz ZFXGTCGLDAPVEO-DGCLKSJQSA-N 2 2 275.421 3.089 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc2ccccc21 ZINC000643506021 380326471 /nfs/dbraw/zinc/32/64/71/380326471.db2.gz HYOGBZAYZHQBEU-CYBMUJFWSA-N 2 2 254.377 3.242 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506420 380328288 /nfs/dbraw/zinc/32/82/88/380328288.db2.gz WGBYUZDIIXXYCZ-JTQLQIEISA-N 2 2 281.469 3.152 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000643507611 380329828 /nfs/dbraw/zinc/32/98/28/380329828.db2.gz KGWQKPULDVOWSE-LJQANCHMSA-N 2 2 298.405 3.451 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507717 380330863 /nfs/dbraw/zinc/33/08/63/380330863.db2.gz NPSALJWFOAOTGC-DLBZAZTESA-N 2 2 258.409 3.213 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccn2)cc1 ZINC000643451890 380308607 /nfs/dbraw/zinc/30/86/07/380308607.db2.gz QRGMPLMBRWWCQS-FUHWJXTLSA-N 2 2 299.393 3.042 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000248729104 284824744 /nfs/dbraw/zinc/82/47/44/284824744.db2.gz IXTOUPWZAALVKC-KBAYOESNSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@@H](C[NH3+])C1 ZINC000414771431 380396140 /nfs/dbraw/zinc/39/61/40/380396140.db2.gz QXEOHUIFJOZATR-BXUZGUMPSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@@H](C[NH3+])C1 ZINC000414771431 380396145 /nfs/dbraw/zinc/39/61/45/380396145.db2.gz QXEOHUIFJOZATR-BXUZGUMPSA-N 2 2 276.355 3.131 20 0 CGADLP COc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000354281468 380384047 /nfs/dbraw/zinc/38/40/47/380384047.db2.gz KKHWZHYGMXJQSU-UHFFFAOYSA-N 2 2 293.370 3.122 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H](C[NH3+])C1 ZINC000414771435 380397059 /nfs/dbraw/zinc/39/70/59/380397059.db2.gz QXEOHUIFJOZATR-RISCZKNCSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@H](C[NH3+])C1 ZINC000414771435 380397060 /nfs/dbraw/zinc/39/70/60/380397060.db2.gz QXEOHUIFJOZATR-RISCZKNCSA-N 2 2 276.355 3.131 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528489 380344462 /nfs/dbraw/zinc/34/44/62/380344462.db2.gz KCSQHHFTZPBXMQ-VXGBXAGGSA-N 2 2 289.448 3.040 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000643528477 380345667 /nfs/dbraw/zinc/34/56/67/380345667.db2.gz JXIBEDDXDQNBMT-LDYMZIIASA-N 2 2 289.206 3.144 20 0 CGADLP CCc1nc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cs1 ZINC000354160210 380347436 /nfs/dbraw/zinc/34/74/36/380347436.db2.gz WWEVZOXQQJKWKM-UHFFFAOYSA-N 2 2 289.448 3.174 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000643537502 380353991 /nfs/dbraw/zinc/35/39/91/380353991.db2.gz KECXDXIBUIVKSV-JCOFBHIZSA-N 2 2 291.197 3.344 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000414657494 380354982 /nfs/dbraw/zinc/35/49/82/380354982.db2.gz KCLRPXHHLSOYLV-LRDDRELGSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])cc2c1 ZINC000414657494 380354988 /nfs/dbraw/zinc/35/49/88/380354988.db2.gz KCLRPXHHLSOYLV-LRDDRELGSA-N 2 2 288.391 3.001 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000643538096 380356200 /nfs/dbraw/zinc/35/62/00/380356200.db2.gz YLMDXGIRDBYDGG-XDTLVQLUSA-N 2 2 290.304 3.056 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OCC1CC1)c1ccccc1 ZINC000414825142 380433665 /nfs/dbraw/zinc/43/36/65/380433665.db2.gz BTOPERNIBOOPOU-GOSISDBHSA-N 2 2 296.414 3.265 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825918 380435867 /nfs/dbraw/zinc/43/58/67/380435867.db2.gz DHYRNIVVGMPMGC-RDTXWAMCSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827797 380438247 /nfs/dbraw/zinc/43/82/47/380438247.db2.gz HUWVPSZLRBSYCW-KBXCAEBGSA-N 2 2 286.394 3.436 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000414832789 380441984 /nfs/dbraw/zinc/44/19/84/380441984.db2.gz OWNZSTQHWNDRPK-YESZJQIVSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(C2CC2)n1)C1CCCCC1 ZINC000414837211 380444497 /nfs/dbraw/zinc/44/44/97/380444497.db2.gz JCFYGIPDZAGLRG-CQSZACIVSA-N 2 2 279.453 3.018 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000414851439 380454046 /nfs/dbraw/zinc/45/40/46/380454046.db2.gz UIMDCTRSUMBHFT-AWEZNQCLSA-N 2 2 290.407 3.396 20 0 CGADLP C[N@H+](Cc1cccc(OC2CCCC2)c1)C1(C[NH3+])CCC1 ZINC000414783935 380403319 /nfs/dbraw/zinc/40/33/19/380403319.db2.gz HVUZMCSJNCDZDZ-UHFFFAOYSA-N 2 2 288.435 3.321 20 0 CGADLP C[N@@H+](Cc1cccc(OC2CCCC2)c1)C1(C[NH3+])CCC1 ZINC000414783935 380403324 /nfs/dbraw/zinc/40/33/24/380403324.db2.gz HVUZMCSJNCDZDZ-UHFFFAOYSA-N 2 2 288.435 3.321 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCOc3ccccc32)c[nH+]1 ZINC000354332635 380403417 /nfs/dbraw/zinc/40/34/17/380403417.db2.gz ITUJDDRTSCSWBT-KRWDZBQOSA-N 2 2 296.414 3.479 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414929168 380493484 /nfs/dbraw/zinc/49/34/84/380493484.db2.gz NZGRCPLORIGBQI-CQSZACIVSA-N 2 2 298.377 3.156 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c[nH+]1 ZINC000354588415 380494900 /nfs/dbraw/zinc/49/49/00/380494900.db2.gz WNQNBAOGKNQVGL-IRXDYDNUSA-N 2 2 290.451 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c[nH+]1 ZINC000354588415 380494906 /nfs/dbraw/zinc/49/49/06/380494906.db2.gz WNQNBAOGKNQVGL-IRXDYDNUSA-N 2 2 290.451 3.052 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414957428 380502055 /nfs/dbraw/zinc/50/20/55/380502055.db2.gz QYXBWZVXJPCFKL-NOZJJQNGSA-N 2 2 290.304 3.075 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414955501 380502960 /nfs/dbraw/zinc/50/29/60/380502960.db2.gz NELBEMUKVBXAMJ-JKSUJKDBSA-N 2 2 258.409 3.042 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000414861931 380462206 /nfs/dbraw/zinc/46/22/06/380462206.db2.gz GOTXEYTYJPFVPO-LBPRGKRZSA-N 2 2 290.407 3.396 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2cc(OC)cc(C)[nH+]2)c1 ZINC000414870008 380467172 /nfs/dbraw/zinc/46/71/72/380467172.db2.gz REIAJJBRNIHLJY-UHFFFAOYSA-N 2 2 285.391 3.120 20 0 CGADLP Cc1cc2cc(C[NH2+]CC3([NH3+])CCC3)oc2cc1C ZINC000414876875 380470326 /nfs/dbraw/zinc/47/03/26/380470326.db2.gz FDKLNAYYNDKWPX-UHFFFAOYSA-N 2 2 258.365 3.021 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(Cl)c2Cl)CCC1 ZINC000414887114 380475870 /nfs/dbraw/zinc/47/58/70/380475870.db2.gz YSAGKEHCTRIHMD-UHFFFAOYSA-N 2 2 265.209 3.026 20 0 CGADLP CCc1ccc[nH+]c1NCCCc1ccc(C)[nH+]c1 ZINC000354552643 380483545 /nfs/dbraw/zinc/48/35/45/380483545.db2.gz SQFRNQORZGFMHA-UHFFFAOYSA-N 2 2 255.365 3.392 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414906693 380483660 /nfs/dbraw/zinc/48/36/60/380483660.db2.gz AGMLSQQTWYRPKZ-AAEUAGOBSA-N 2 2 266.454 3.133 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000645094586 380578127 /nfs/dbraw/zinc/57/81/27/380578127.db2.gz CWPPUNYQJAKXNI-CVEARBPZSA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000645094586 380578131 /nfs/dbraw/zinc/57/81/31/380578131.db2.gz CWPPUNYQJAKXNI-CVEARBPZSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417346053 380601440 /nfs/dbraw/zinc/60/14/40/380601440.db2.gz TVOKHOWWLQVRRQ-ZOBORPQBSA-N 2 2 287.432 3.041 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc(C)c1F ZINC000417353891 380605880 /nfs/dbraw/zinc/60/58/80/380605880.db2.gz KGKXMOFRHAVNOP-ZDUSSCGKSA-N 2 2 264.388 3.187 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000418112041 380702053 /nfs/dbraw/zinc/70/20/53/380702053.db2.gz GRYWGESONKEVNL-UHFFFAOYSA-N 2 2 260.425 3.036 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071523 380821393 /nfs/dbraw/zinc/82/13/93/380821393.db2.gz IZHNKEGCLKWJMV-CQSZACIVSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071523 380821398 /nfs/dbraw/zinc/82/13/98/380821398.db2.gz IZHNKEGCLKWJMV-CQSZACIVSA-N 2 2 261.394 3.090 20 0 CGADLP C[C@H](C[NH2+]C1CC2(C1)CCCCC2)[N@H+](C)C1CC1 ZINC000421329065 380877818 /nfs/dbraw/zinc/87/78/18/380877818.db2.gz UMZPVOWXCGSCNI-CYBMUJFWSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+]C1CC2(C1)CCCCC2)[N@@H+](C)C1CC1 ZINC000421329065 380877827 /nfs/dbraw/zinc/87/78/27/380877827.db2.gz UMZPVOWXCGSCNI-CYBMUJFWSA-N 2 2 250.430 3.172 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CC(OC(C)(C)C)C1 ZINC000421373918 380913454 /nfs/dbraw/zinc/91/34/54/380913454.db2.gz OAWFYOQPXPYLHU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CC(OC(C)(C)C)C1 ZINC000421373918 380913459 /nfs/dbraw/zinc/91/34/59/380913459.db2.gz OAWFYOQPXPYLHU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000356886221 380921045 /nfs/dbraw/zinc/92/10/45/380921045.db2.gz XZDOTDBKWTZYJD-CQSZACIVSA-N 2 2 269.392 3.241 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000359072231 381336158 /nfs/dbraw/zinc/33/61/58/381336158.db2.gz MTAYNHUAKWGDCR-XLAORIBOSA-N 2 2 294.483 3.068 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000359585405 381355533 /nfs/dbraw/zinc/35/55/33/381355533.db2.gz BLOOTSIQSTXNTG-OAHLLOKOSA-N 2 2 295.430 3.394 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761654 542284661 /nfs/dbraw/zinc/28/46/61/542284661.db2.gz YMHRZYRHJWTXOR-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761654 542284664 /nfs/dbraw/zinc/28/46/64/542284664.db2.gz YMHRZYRHJWTXOR-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP CC(C)(C[NH2+]Cc1c(F)cccc1F)C[NH+]1CCCC1 ZINC000360170582 381467217 /nfs/dbraw/zinc/46/72/17/381467217.db2.gz ZEFDCPWZIDXTIM-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000360946498 381632939 /nfs/dbraw/zinc/63/29/39/381632939.db2.gz JXJIXLMAQDQMMQ-CVEARBPZSA-N 2 2 293.455 3.282 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346502 381708842 /nfs/dbraw/zinc/70/88/42/381708842.db2.gz OXULIUCVDGWIDJ-DGCLKSJQSA-N 2 2 281.469 3.005 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346502 381708846 /nfs/dbraw/zinc/70/88/46/381708846.db2.gz OXULIUCVDGWIDJ-DGCLKSJQSA-N 2 2 281.469 3.005 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000740878254 572464888 /nfs/dbraw/zinc/46/48/88/572464888.db2.gz ZRUCLTNNOYEMJD-INIZCTEOSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000740878254 572464880 /nfs/dbraw/zinc/46/48/80/572464880.db2.gz ZRUCLTNNOYEMJD-INIZCTEOSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000361896555 381875180 /nfs/dbraw/zinc/87/51/80/381875180.db2.gz JYHIINVLFHEGIC-XVSSEFHLSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000361896555 381875184 /nfs/dbraw/zinc/87/51/84/381875184.db2.gz JYHIINVLFHEGIC-XVSSEFHLSA-N 2 2 278.362 3.180 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](CCc1ccc(F)c(F)c1)CC2 ZINC000334956904 207355868 /nfs/dbraw/zinc/35/58/68/207355868.db2.gz DOFWXPRVRAQINF-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](CCc1ccc(F)c(F)c1)CC2 ZINC000334956904 207355872 /nfs/dbraw/zinc/35/58/72/207355872.db2.gz DOFWXPRVRAQINF-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228178493 542298110 /nfs/dbraw/zinc/29/81/10/542298110.db2.gz DEYSNCCFXJJASD-ZYHUDNBSSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000228178493 542298112 /nfs/dbraw/zinc/29/81/12/542298112.db2.gz DEYSNCCFXJJASD-ZYHUDNBSSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000235510704 542312555 /nfs/dbraw/zinc/31/25/55/542312555.db2.gz YONFNHPUZBUNOH-GXTWGEPZSA-N 2 2 258.365 3.226 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251618735 542347014 /nfs/dbraw/zinc/34/70/14/542347014.db2.gz DXTCQZHEJXMASH-FIXISWKDSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251618735 542347019 /nfs/dbraw/zinc/34/70/19/542347019.db2.gz DXTCQZHEJXMASH-FIXISWKDSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251618742 542347262 /nfs/dbraw/zinc/34/72/62/542347262.db2.gz DXTCQZHEJXMASH-UEKVPHQBSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251618742 542347267 /nfs/dbraw/zinc/34/72/67/542347267.db2.gz DXTCQZHEJXMASH-UEKVPHQBSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000251662079 542347798 /nfs/dbraw/zinc/34/77/98/542347798.db2.gz HCIJJZFXOLBPMK-HFAKWTLXSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000251662079 542347799 /nfs/dbraw/zinc/34/77/99/542347799.db2.gz HCIJJZFXOLBPMK-HFAKWTLXSA-N 2 2 268.351 3.085 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000250879158 542344609 /nfs/dbraw/zinc/34/46/09/542344609.db2.gz QJJIRTXYLFQARD-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000250879158 542344615 /nfs/dbraw/zinc/34/46/15/542344615.db2.gz QJJIRTXYLFQARD-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418020 542349770 /nfs/dbraw/zinc/34/97/70/542349770.db2.gz UMLMIGKQWLWXIU-XJKCOSOUSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418020 542349775 /nfs/dbraw/zinc/34/97/75/542349775.db2.gz UMLMIGKQWLWXIU-XJKCOSOUSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1C[NH3+] ZINC000252708301 542351110 /nfs/dbraw/zinc/35/11/10/542351110.db2.gz ZTBBXOMAIFAGDW-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1C[NH3+] ZINC000252708301 542351112 /nfs/dbraw/zinc/35/11/12/542351112.db2.gz ZTBBXOMAIFAGDW-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423442254 532973991 /nfs/dbraw/zinc/97/39/91/532973991.db2.gz BLQLMUQLDJKTQT-MCIONIFRSA-N 2 2 285.391 3.260 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103578 533000837 /nfs/dbraw/zinc/00/08/37/533000837.db2.gz XALUPHHKOSUYRC-YPMHNXCESA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103578 533000841 /nfs/dbraw/zinc/00/08/41/533000841.db2.gz XALUPHHKOSUYRC-YPMHNXCESA-N 2 2 287.432 3.340 20 0 CGADLP CC1=CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000280941759 195038167 /nfs/dbraw/zinc/03/81/67/195038167.db2.gz WDIJFFHMAODRRM-UHFFFAOYSA-N 2 2 253.349 3.024 20 0 CGADLP CC1=CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000280941759 195038170 /nfs/dbraw/zinc/03/81/70/195038170.db2.gz WDIJFFHMAODRRM-UHFFFAOYSA-N 2 2 253.349 3.024 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000335301547 208140098 /nfs/dbraw/zinc/14/00/98/208140098.db2.gz OLVFPXWLNQOOAL-MFKMUULPSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000335301547 208140102 /nfs/dbraw/zinc/14/01/02/208140102.db2.gz OLVFPXWLNQOOAL-MFKMUULPSA-N 2 2 275.783 3.271 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746776 220295100 /nfs/dbraw/zinc/29/51/00/220295100.db2.gz DCJVHRWFFRWOCX-NEPJUHHUSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746776 220295102 /nfs/dbraw/zinc/29/51/02/220295102.db2.gz DCJVHRWFFRWOCX-NEPJUHHUSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746776 220295104 /nfs/dbraw/zinc/29/51/04/220295104.db2.gz DCJVHRWFFRWOCX-NEPJUHHUSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)C[C@H]1C ZINC000353746776 220295105 /nfs/dbraw/zinc/29/51/05/220295105.db2.gz DCJVHRWFFRWOCX-NEPJUHHUSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751138 220304411 /nfs/dbraw/zinc/30/44/11/220304411.db2.gz IWBIJOHNZZKPCN-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751138 220304415 /nfs/dbraw/zinc/30/44/15/220304415.db2.gz IWBIJOHNZZKPCN-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751138 220304419 /nfs/dbraw/zinc/30/44/19/220304419.db2.gz IWBIJOHNZZKPCN-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2OC)C[C@@H]1C ZINC000353751138 220304422 /nfs/dbraw/zinc/30/44/22/220304422.db2.gz IWBIJOHNZZKPCN-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000286219921 542391421 /nfs/dbraw/zinc/39/14/21/542391421.db2.gz SIJGGEMEXICXLT-ZIAGYGMSSA-N 2 2 286.423 3.190 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000289209870 197263697 /nfs/dbraw/zinc/26/36/97/197263697.db2.gz IMHGMGKFFKZHQQ-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000289209870 197263698 /nfs/dbraw/zinc/26/36/98/197263698.db2.gz IMHGMGKFFKZHQQ-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](CC(F)F)C(C)C ZINC000289237371 197271752 /nfs/dbraw/zinc/27/17/52/197271752.db2.gz KVJGFUXDRXQYIY-UHFFFAOYSA-N 2 2 256.340 3.298 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](CC(F)F)C(C)C ZINC000289237371 197271754 /nfs/dbraw/zinc/27/17/54/197271754.db2.gz KVJGFUXDRXQYIY-UHFFFAOYSA-N 2 2 256.340 3.298 20 0 CGADLP CCc1cc(NCCCc2[nH+]cccc2C)nc(C)[nH+]1 ZINC000294918478 542405247 /nfs/dbraw/zinc/40/52/47/542405247.db2.gz GJOGEUSNHPZEEK-UHFFFAOYSA-N 2 2 270.380 3.096 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449075276 533174343 /nfs/dbraw/zinc/17/43/43/533174343.db2.gz MNFFKUXSWYJCQJ-CQSZACIVSA-N 2 2 295.386 3.223 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355721 542444056 /nfs/dbraw/zinc/44/40/56/542444056.db2.gz OVPCLHLYUYCDDS-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328355721 542444061 /nfs/dbraw/zinc/44/40/61/542444061.db2.gz OVPCLHLYUYCDDS-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328465358 542444134 /nfs/dbraw/zinc/44/41/34/542444134.db2.gz JAYLBEXUPHJACK-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328465358 542444138 /nfs/dbraw/zinc/44/41/38/542444138.db2.gz JAYLBEXUPHJACK-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cncc(F)c2)c[nH+]1 ZINC000354607935 220835915 /nfs/dbraw/zinc/83/59/15/220835915.db2.gz VLBOKGCTTQAYTQ-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000348078888 542513523 /nfs/dbraw/zinc/51/35/23/542513523.db2.gz FOHANGCBXVUIAF-ZWKOTPCHSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348076121 542514331 /nfs/dbraw/zinc/51/43/31/542514331.db2.gz NCLYCEKLLMHCII-CABCVRRESA-N 2 2 269.392 3.123 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000348275469 542517902 /nfs/dbraw/zinc/51/79/02/542517902.db2.gz CEWXNTHCYIKBMQ-ZFDZMSFRSA-N 2 2 280.378 3.283 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCC(C(F)(F)F)CC1 ZINC000354561719 542563876 /nfs/dbraw/zinc/56/38/76/542563876.db2.gz DXLRSHQEAFHYGA-IYXRBSQSSA-N 2 2 292.389 3.429 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179393486 260046118 /nfs/dbraw/zinc/04/61/18/260046118.db2.gz GTKANSUIIUXQBT-GOEBONIOSA-N 2 2 258.409 3.229 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423382336 533299053 /nfs/dbraw/zinc/29/90/53/533299053.db2.gz ILTBJYALNUBSBR-IAGOWNOFSA-N 2 2 288.435 3.050 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)[C@H](C)[NH3+] ZINC000423462606 533508126 /nfs/dbraw/zinc/50/81/26/533508126.db2.gz KVNKXUIZRHAUBU-AXFHLTTASA-N 2 2 293.411 3.336 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402631 533536939 /nfs/dbraw/zinc/53/69/39/533536939.db2.gz RLPMHDVKAXLOHJ-SJKOYZFVSA-N 2 2 254.377 3.228 20 0 CGADLP Cc1cccc(CCNc2cc(C)[nH+]c3ccc(F)cc23)[nH+]1 ZINC000359843470 542581796 /nfs/dbraw/zinc/58/17/96/542581796.db2.gz XTJIIHVVFHMRQD-UHFFFAOYSA-N 2 2 295.361 3.462 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439116 533661326 /nfs/dbraw/zinc/66/13/26/533661326.db2.gz RNWXHYHOJIGIQZ-AWEZNQCLSA-N 2 2 299.418 3.036 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389174633 542607137 /nfs/dbraw/zinc/60/71/37/542607137.db2.gz OQTOILUYPRAVMD-JYJNAYRXSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389174633 542607138 /nfs/dbraw/zinc/60/71/38/542607138.db2.gz OQTOILUYPRAVMD-JYJNAYRXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000381873473 542599066 /nfs/dbraw/zinc/59/90/66/542599066.db2.gz MEYZCOXUCNOGRV-FVQBIDKESA-N 2 2 294.389 3.427 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000381873473 542599070 /nfs/dbraw/zinc/59/90/70/542599070.db2.gz MEYZCOXUCNOGRV-FVQBIDKESA-N 2 2 294.389 3.427 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438235 542608757 /nfs/dbraw/zinc/60/87/57/542608757.db2.gz NAYPYBWHABAWMR-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438235 542608758 /nfs/dbraw/zinc/60/87/58/542608758.db2.gz NAYPYBWHABAWMR-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(O)c1 ZINC000192709446 130537932 /nfs/dbraw/zinc/53/79/32/130537932.db2.gz ACTSDKUHCIVCHE-AWEZNQCLSA-N 2 2 297.402 3.107 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361768289 392318151 /nfs/dbraw/zinc/31/81/51/392318151.db2.gz RCSYPHYYLDIOKT-MBNYWOFBSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361768289 392318156 /nfs/dbraw/zinc/31/81/56/392318156.db2.gz RCSYPHYYLDIOKT-MBNYWOFBSA-N 2 2 296.842 3.482 20 0 CGADLP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691690 392296420 /nfs/dbraw/zinc/29/64/20/392296420.db2.gz GFJNKSXJDBTXGG-RDJZCZTQSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691690 392296424 /nfs/dbraw/zinc/29/64/24/392296424.db2.gz GFJNKSXJDBTXGG-RDJZCZTQSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691686 392296679 /nfs/dbraw/zinc/29/66/79/392296679.db2.gz GFJNKSXJDBTXGG-DOTOQJQBSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691686 392296686 /nfs/dbraw/zinc/29/66/86/392296686.db2.gz GFJNKSXJDBTXGG-DOTOQJQBSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)C1 ZINC000361706569 392301415 /nfs/dbraw/zinc/30/14/15/392301415.db2.gz RFZCHZRNLKDUFS-CYBMUJFWSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000361706569 392301419 /nfs/dbraw/zinc/30/14/19/392301419.db2.gz RFZCHZRNLKDUFS-CYBMUJFWSA-N 2 2 255.365 3.023 20 0 CGADLP CC[C@]1(C)COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361866424 392348722 /nfs/dbraw/zinc/34/87/22/392348722.db2.gz AICFXEDPJSXPGE-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@]1(C)COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361866424 392348723 /nfs/dbraw/zinc/34/87/23/392348723.db2.gz AICFXEDPJSXPGE-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000246323941 131093344 /nfs/dbraw/zinc/09/33/44/131093344.db2.gz HGRCQZOJPOYLFA-SJORKVTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000246323941 131093345 /nfs/dbraw/zinc/09/33/45/131093345.db2.gz HGRCQZOJPOYLFA-SJORKVTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000246323941 131093347 /nfs/dbraw/zinc/09/33/47/131093347.db2.gz HGRCQZOJPOYLFA-SJORKVTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000246323941 131093348 /nfs/dbraw/zinc/09/33/48/131093348.db2.gz HGRCQZOJPOYLFA-SJORKVTESA-N 2 2 287.451 3.168 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672929 131136409 /nfs/dbraw/zinc/13/64/09/131136409.db2.gz FEFIHCWYAQPSHQ-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672929 131136410 /nfs/dbraw/zinc/13/64/10/131136410.db2.gz FEFIHCWYAQPSHQ-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP CCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000453389677 542682558 /nfs/dbraw/zinc/68/25/58/542682558.db2.gz XLSYWQPFVNDXMM-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000422943156 285486928 /nfs/dbraw/zinc/48/69/28/285486928.db2.gz QJEXJEAITPZVFF-IAGOWNOFSA-N 2 2 258.409 3.260 20 0 CGADLP CCCC[C@H](CC)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000459665649 542695670 /nfs/dbraw/zinc/69/56/70/542695670.db2.gz QWECYWRJKCFSTI-AWEZNQCLSA-N 2 2 251.418 3.159 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000367057100 392463653 /nfs/dbraw/zinc/46/36/53/392463653.db2.gz FUDDWRQVDYTPMV-RDJZCZTQSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000367057100 392463662 /nfs/dbraw/zinc/46/36/62/392463662.db2.gz FUDDWRQVDYTPMV-RDJZCZTQSA-N 2 2 287.451 3.182 20 0 CGADLP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2cccc(F)c2[nH+]1 ZINC000291637075 392474014 /nfs/dbraw/zinc/47/40/14/392474014.db2.gz CAVAURKGPFNICV-GOSISDBHSA-N 2 2 299.393 3.214 20 0 CGADLP Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2cccc(F)c2[nH+]1 ZINC000291637075 392474019 /nfs/dbraw/zinc/47/40/19/392474019.db2.gz CAVAURKGPFNICV-GOSISDBHSA-N 2 2 299.393 3.214 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152093979 392495056 /nfs/dbraw/zinc/49/50/56/392495056.db2.gz VEAORJFOBYXGBO-HUUCEWRRSA-N 2 2 271.408 3.456 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000152150446 392498885 /nfs/dbraw/zinc/49/88/85/392498885.db2.gz PHHAFQIYUVIHKB-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000296562210 392560785 /nfs/dbraw/zinc/56/07/85/392560785.db2.gz ULUUJJISPPFFAO-AWEZNQCLSA-N 2 2 286.423 3.446 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000166479034 392608977 /nfs/dbraw/zinc/60/89/77/392608977.db2.gz HGQNCUWDWMWDSA-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000166479034 392608978 /nfs/dbraw/zinc/60/89/78/392608978.db2.gz HGQNCUWDWMWDSA-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@@H+]1C ZINC000647333147 392678830 /nfs/dbraw/zinc/67/88/30/392678830.db2.gz MXXFOQJENQBOGB-ZIAGYGMSSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000647333147 392678840 /nfs/dbraw/zinc/67/88/40/392678840.db2.gz MXXFOQJENQBOGB-ZIAGYGMSSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000306728358 392643720 /nfs/dbraw/zinc/64/37/20/392643720.db2.gz NOHQQFSYXOXVFB-QFBILLFUSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000306728358 392643723 /nfs/dbraw/zinc/64/37/23/392643723.db2.gz NOHQQFSYXOXVFB-QFBILLFUSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)nc1 ZINC000375320189 392767228 /nfs/dbraw/zinc/76/72/28/392767228.db2.gz MRIATYBOXCSFSW-NSHDSACASA-N 2 2 290.798 3.119 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000334491912 392731115 /nfs/dbraw/zinc/73/11/15/392731115.db2.gz BAEMIBZFLGHTMO-KRWDZBQOSA-N 2 2 285.366 3.416 20 0 CGADLP c1nc(C2CCC2)sc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483101 392739125 /nfs/dbraw/zinc/73/91/25/392739125.db2.gz ZCYRBXIDIYQRHS-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP c1nc(C2CCC2)sc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483101 392739127 /nfs/dbraw/zinc/73/91/27/392739127.db2.gz ZCYRBXIDIYQRHS-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533876 392753291 /nfs/dbraw/zinc/75/32/91/392753291.db2.gz ZSDSUSCETQZPLC-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533876 392753296 /nfs/dbraw/zinc/75/32/96/392753296.db2.gz ZSDSUSCETQZPLC-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC34CCC4)cn21 ZINC000647363849 392707868 /nfs/dbraw/zinc/70/78/68/392707868.db2.gz LPTZTERCBRLBRQ-OAHLLOKOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC34CCCC4)cn21 ZINC000647363977 392708521 /nfs/dbraw/zinc/70/85/21/392708521.db2.gz PHHOPUMQUCHCTN-INIZCTEOSA-N 2 2 283.419 3.498 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)[C@H]1C[C@@H]1C ZINC000647363631 392708616 /nfs/dbraw/zinc/70/86/16/392708616.db2.gz FLVZRDIFJCIPAG-RCBQFDQVSA-N 2 2 271.408 3.209 20 0 CGADLP c1ccc2c(c1)C[NH+](C[C@H]1CC[NH2+]C1)Cc1ccccc1-2 ZINC000647883914 392824892 /nfs/dbraw/zinc/82/48/92/392824892.db2.gz KALIEFGEUSABTJ-HNNXBMFYSA-N 2 2 278.399 3.279 20 0 CGADLP C[C@H](CCSc1ccccc1)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933176 392835850 /nfs/dbraw/zinc/83/58/50/392835850.db2.gz DQZIZUFSMWYHHV-CYBMUJFWSA-N 2 2 287.432 3.339 20 0 CGADLP C[C@H](CCSc1ccccc1)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933176 392835852 /nfs/dbraw/zinc/83/58/52/392835852.db2.gz DQZIZUFSMWYHHV-CYBMUJFWSA-N 2 2 287.432 3.339 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3)CCCC2)n1C ZINC000519712164 392885147 /nfs/dbraw/zinc/88/51/47/392885147.db2.gz OHHVQQQNLNAJNW-UHFFFAOYSA-N 2 2 283.419 3.330 20 0 CGADLP CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000514829179 392858298 /nfs/dbraw/zinc/85/82/98/392858298.db2.gz ZWNJVIXAMZQSRQ-YMAMQOFZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514829179 392858303 /nfs/dbraw/zinc/85/83/03/392858303.db2.gz ZWNJVIXAMZQSRQ-YMAMQOFZSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCCCCC1)CCC2 ZINC000336528619 392861026 /nfs/dbraw/zinc/86/10/26/392861026.db2.gz HUDKXDJYWJZNDA-CQSZACIVSA-N 2 2 261.413 3.381 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000222905005 393009609 /nfs/dbraw/zinc/00/96/09/393009609.db2.gz FMEXQZMDSIFFQY-VHRBIJSZSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000222905005 393009613 /nfs/dbraw/zinc/00/96/13/393009613.db2.gz FMEXQZMDSIFFQY-VHRBIJSZSA-N 2 2 250.386 3.030 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000545866277 393011174 /nfs/dbraw/zinc/01/11/74/393011174.db2.gz UPKRIDPZDQIISJ-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2ccccc2F)CC1 ZINC000545866277 393011181 /nfs/dbraw/zinc/01/11/81/393011181.db2.gz UPKRIDPZDQIISJ-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000226319619 393014338 /nfs/dbraw/zinc/01/43/38/393014338.db2.gz FASZLNNQZGJAGF-GJZGRUSLSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000226319619 393014342 /nfs/dbraw/zinc/01/43/42/393014342.db2.gz FASZLNNQZGJAGF-GJZGRUSLSA-N 2 2 260.425 3.080 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000467440892 393100506 /nfs/dbraw/zinc/10/05/06/393100506.db2.gz YTEMCAFJHYPYHB-YWPYICTPSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000467440892 393100508 /nfs/dbraw/zinc/10/05/08/393100508.db2.gz YTEMCAFJHYPYHB-YWPYICTPSA-N 2 2 264.438 3.009 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415030584 393103005 /nfs/dbraw/zinc/10/30/05/393103005.db2.gz CRIGNLAOMUSVCN-LBPRGKRZSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000467538018 393103617 /nfs/dbraw/zinc/10/36/17/393103617.db2.gz PLGUMSWIGNVVAZ-CYBMUJFWSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414956192 393062326 /nfs/dbraw/zinc/06/23/26/393062326.db2.gz UZLNJEJVXRJCBU-NXEZZACHSA-N 2 2 273.207 3.224 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414958685 393064471 /nfs/dbraw/zinc/06/44/71/393064471.db2.gz RPDIQTVIFOJICR-YSIASYRMSA-N 2 2 292.426 3.267 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414961370 393066397 /nfs/dbraw/zinc/06/63/97/393066397.db2.gz VRRSIAMQLVGYJF-SMDDNHRTSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414960889 393068001 /nfs/dbraw/zinc/06/80/01/393068001.db2.gz VJUOTNSOULMOKH-MFKMUULPSA-N 2 2 293.461 3.102 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414984033 393078561 /nfs/dbraw/zinc/07/85/61/393078561.db2.gz UQQOWPADHMDQGH-SECBINFHSA-N 2 2 280.721 3.186 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414984035 393078889 /nfs/dbraw/zinc/07/88/89/393078889.db2.gz UQQOWPADHMDQGH-VIFPVBQESA-N 2 2 280.721 3.186 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414982171 393079515 /nfs/dbraw/zinc/07/95/15/393079515.db2.gz YOJNHCDCMDRCAW-ZDUSSCGKSA-N 2 2 287.234 3.471 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000415059241 393120242 /nfs/dbraw/zinc/12/02/42/393120242.db2.gz XUVYQPGROMFESB-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000415065993 393126105 /nfs/dbraw/zinc/12/61/05/393126105.db2.gz IGSKRPRVHPJQAS-LLVKDONJSA-N 2 2 273.207 3.225 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)sc1C ZINC000415082827 393136860 /nfs/dbraw/zinc/13/68/60/393136860.db2.gz OYQQISYAMFISOC-BXUZGUMPSA-N 2 2 281.469 3.160 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415106192 393147251 /nfs/dbraw/zinc/14/72/51/393147251.db2.gz MVMMOXXCHMSRAA-ZIAGYGMSSA-N 2 2 286.341 3.498 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2Cl)s1 ZINC000415114098 393149576 /nfs/dbraw/zinc/14/95/76/393149576.db2.gz VGBBZLHIZLGBRY-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2Cl)s1 ZINC000415114098 393149584 /nfs/dbraw/zinc/14/95/84/393149584.db2.gz VGBBZLHIZLGBRY-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C(C)C)CC1 ZINC000468551519 393151122 /nfs/dbraw/zinc/15/11/22/393151122.db2.gz DCWZGCRMHYQGGG-IAGOWNOFSA-N 2 2 296.499 3.290 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000468726413 393158392 /nfs/dbraw/zinc/15/83/92/393158392.db2.gz UYJVYZAXGIONKC-ZIAGYGMSSA-N 2 2 299.418 3.446 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000468726413 393158394 /nfs/dbraw/zinc/15/83/94/393158394.db2.gz UYJVYZAXGIONKC-ZIAGYGMSSA-N 2 2 299.418 3.446 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000352790599 393209514 /nfs/dbraw/zinc/20/95/14/393209514.db2.gz UXGUEPTYKRYYAM-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000352790599 393209525 /nfs/dbraw/zinc/20/95/25/393209525.db2.gz UXGUEPTYKRYYAM-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000353208124 393215978 /nfs/dbraw/zinc/21/59/78/393215978.db2.gz JWGMOCVWVYPTLJ-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000353208124 393215985 /nfs/dbraw/zinc/21/59/85/393215985.db2.gz JWGMOCVWVYPTLJ-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272349260 393260662 /nfs/dbraw/zinc/26/06/62/393260662.db2.gz XXKAMYKEUZMTMW-DOTOQJQBSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272349260 393260671 /nfs/dbraw/zinc/26/06/71/393260671.db2.gz XXKAMYKEUZMTMW-DOTOQJQBSA-N 2 2 281.403 3.404 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C1CC1 ZINC000649284345 393392019 /nfs/dbraw/zinc/39/20/19/393392019.db2.gz MPGKXZYJQOEGAL-JKSUJKDBSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C1CC1 ZINC000649284345 393392023 /nfs/dbraw/zinc/39/20/23/393392023.db2.gz MPGKXZYJQOEGAL-JKSUJKDBSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000649284345 393392028 /nfs/dbraw/zinc/39/20/28/393392028.db2.gz MPGKXZYJQOEGAL-JKSUJKDBSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000649284345 393392032 /nfs/dbraw/zinc/39/20/32/393392032.db2.gz MPGKXZYJQOEGAL-JKSUJKDBSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C1CC1 ZINC000649284344 393392616 /nfs/dbraw/zinc/39/26/16/393392616.db2.gz MPGKXZYJQOEGAL-HZPDHXFCSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C1CC1 ZINC000649284344 393392617 /nfs/dbraw/zinc/39/26/17/393392617.db2.gz MPGKXZYJQOEGAL-HZPDHXFCSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000649284344 393392619 /nfs/dbraw/zinc/39/26/19/393392619.db2.gz MPGKXZYJQOEGAL-HZPDHXFCSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000649284344 393392620 /nfs/dbraw/zinc/39/26/20/393392620.db2.gz MPGKXZYJQOEGAL-HZPDHXFCSA-N 2 2 250.430 3.124 20 0 CGADLP CC[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)[NH+]1CCCC1 ZINC000280413319 393342180 /nfs/dbraw/zinc/34/21/80/393342180.db2.gz YTNMOCNELXFIGE-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C1 ZINC000474882687 393354300 /nfs/dbraw/zinc/35/43/00/393354300.db2.gz MNPBJHJYFDKMFN-SQNIBIBYSA-N 2 2 296.499 3.292 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000474922786 393357044 /nfs/dbraw/zinc/35/70/44/393357044.db2.gz DKRFCAAFRBBXAI-KFWWJZLASA-N 2 2 261.413 3.002 20 0 CGADLP C[N@H+](C[C@@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373071 393368384 /nfs/dbraw/zinc/36/83/84/393368384.db2.gz MDUVYTIDTGVKHT-CYBMUJFWSA-N 2 2 274.399 3.228 20 0 CGADLP C[N@@H+](C[C@@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373071 393368391 /nfs/dbraw/zinc/36/83/91/393368391.db2.gz MDUVYTIDTGVKHT-CYBMUJFWSA-N 2 2 274.399 3.228 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000647257709 393418128 /nfs/dbraw/zinc/41/81/28/393418128.db2.gz USACZOJLYLAJCN-YRGRVCCFSA-N 2 2 290.373 3.181 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(Cl)o3)cn21 ZINC000647262344 393421312 /nfs/dbraw/zinc/42/13/12/393421312.db2.gz WMCKGGFNWYUQSN-UHFFFAOYSA-N 2 2 289.766 3.221 20 0 CGADLP Cc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1F ZINC000647262836 393421346 /nfs/dbraw/zinc/42/13/46/393421346.db2.gz SVEWLHHBHMLFRG-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000647280057 393422317 /nfs/dbraw/zinc/42/23/17/393422317.db2.gz PSGNZYVPTBRFCZ-MRXNPFEDSA-N 2 2 272.396 3.045 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@@H+]1C ZINC000356445537 393445966 /nfs/dbraw/zinc/44/59/66/393445966.db2.gz ZTUDUFHCFNRFHZ-NHYWBVRUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@H+]1C ZINC000356445537 393445972 /nfs/dbraw/zinc/44/59/72/393445972.db2.gz ZTUDUFHCFNRFHZ-NHYWBVRUSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@@H+]1C ZINC000356445538 393446296 /nfs/dbraw/zinc/44/62/96/393446296.db2.gz ZTUDUFHCFNRFHZ-XHDPSFHLSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H]1[C@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@H+]1C ZINC000356445538 393446303 /nfs/dbraw/zinc/44/63/03/393446303.db2.gz ZTUDUFHCFNRFHZ-XHDPSFHLSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000420363278 393475671 /nfs/dbraw/zinc/47/56/71/393475671.db2.gz JHOAJRFFDOPTLT-UUIJZJDISA-N 2 2 298.377 3.325 20 0 CGADLP CC[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(F)cc1 ZINC000420378844 393478551 /nfs/dbraw/zinc/47/85/51/393478551.db2.gz XHIRTTIZSMBZIV-AVRGHOLYSA-N 2 2 264.388 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000649576115 393496986 /nfs/dbraw/zinc/49/69/86/393496986.db2.gz MWAHEJQIGPHYML-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(-c2cccnc2)cc1 ZINC000649576115 393496990 /nfs/dbraw/zinc/49/69/90/393496990.db2.gz MWAHEJQIGPHYML-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417116 393505258 /nfs/dbraw/zinc/50/52/58/393505258.db2.gz VSUWTWNCXDMMBW-KBPBESRZSA-N 2 2 272.502 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417116 393505260 /nfs/dbraw/zinc/50/52/60/393505260.db2.gz VSUWTWNCXDMMBW-KBPBESRZSA-N 2 2 272.502 3.228 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488428301 393509967 /nfs/dbraw/zinc/50/99/67/393509967.db2.gz ATICWZCYDHJOPN-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)Oc1cc[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c1 ZINC000649620249 393515350 /nfs/dbraw/zinc/51/53/50/393515350.db2.gz SZOHOWJNUXFHEN-ZIAGYGMSSA-N 2 2 299.418 3.484 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2C[C@H]2C)c(C)c1 ZINC000488447548 393516650 /nfs/dbraw/zinc/51/66/50/393516650.db2.gz JSMGEOSBIKCURN-HFTRVMKXSA-N 2 2 283.419 3.487 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464684 393549035 /nfs/dbraw/zinc/54/90/35/393549035.db2.gz FQTWBGRRPMYRET-QLFBSQMISA-N 2 2 298.434 3.405 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464684 393549040 /nfs/dbraw/zinc/54/90/40/393549040.db2.gz FQTWBGRRPMYRET-QLFBSQMISA-N 2 2 298.434 3.405 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430554926 393575143 /nfs/dbraw/zinc/57/51/43/393575143.db2.gz WKLRSLLUIUAFDD-ZIAGYGMSSA-N 2 2 295.496 3.291 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430554926 393575147 /nfs/dbraw/zinc/57/51/47/393575147.db2.gz WKLRSLLUIUAFDD-ZIAGYGMSSA-N 2 2 295.496 3.291 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000666768548 542814485 /nfs/dbraw/zinc/81/44/85/542814485.db2.gz JVFNPMQBDYRDPG-OAHLLOKOSA-N 2 2 284.403 3.080 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000666767028 542814716 /nfs/dbraw/zinc/81/47/16/542814716.db2.gz PWUKYWCFVZMSRS-QGZVFWFLSA-N 2 2 284.403 3.080 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770456 542814997 /nfs/dbraw/zinc/81/49/97/542814997.db2.gz BDFAHVFIKGXNPX-CQSZACIVSA-N 2 2 286.341 3.246 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000489507243 393601929 /nfs/dbraw/zinc/60/19/29/393601929.db2.gz CMOAXYHZGQCRMF-OAHLLOKOSA-N 2 2 255.365 3.103 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000489507243 393601932 /nfs/dbraw/zinc/60/19/32/393601932.db2.gz CMOAXYHZGQCRMF-OAHLLOKOSA-N 2 2 255.365 3.103 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+](C)CC(C)(C)C[NH3+])o2)cc1 ZINC000430576938 393578649 /nfs/dbraw/zinc/57/86/49/393578649.db2.gz NEMOSQNPVRPRSJ-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+](C)CC(C)(C)C[NH3+])o2)cc1 ZINC000430576938 393578656 /nfs/dbraw/zinc/57/86/56/393578656.db2.gz NEMOSQNPVRPRSJ-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000430628579 393582444 /nfs/dbraw/zinc/58/24/44/393582444.db2.gz OPYGTVLLEPGRCP-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000430628579 393582451 /nfs/dbraw/zinc/58/24/51/393582451.db2.gz OPYGTVLLEPGRCP-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP COCCc1cc[nH+]c(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421856774 393636105 /nfs/dbraw/zinc/63/61/05/393636105.db2.gz OXKGQZGVKLNILV-MRXNPFEDSA-N 2 2 297.402 3.025 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000423024839 393649243 /nfs/dbraw/zinc/64/92/43/393649243.db2.gz MUMPPUYGPONXEG-NVXWUHKLSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423142878 393651375 /nfs/dbraw/zinc/65/13/75/393651375.db2.gz BNSQNEOIUMRINU-CIISACIHSA-N 2 2 280.362 3.072 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423258831 393655871 /nfs/dbraw/zinc/65/58/71/393655871.db2.gz CPAHVLJSHKJCJJ-GXTWGEPZSA-N 2 2 260.381 3.457 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000423271050 393658070 /nfs/dbraw/zinc/65/80/70/393658070.db2.gz IQFOAUPRNHVSTR-QWHCGFSZSA-N 2 2 286.366 3.312 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423296422 393660316 /nfs/dbraw/zinc/66/03/16/393660316.db2.gz GSQLQYJGQBYZAE-BBRMVZONSA-N 2 2 292.423 3.016 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)ccc1OC ZINC000423333705 393662511 /nfs/dbraw/zinc/66/25/11/393662511.db2.gz SCMMENNQELKPTJ-CYBMUJFWSA-N 2 2 282.815 3.271 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000423369284 393663924 /nfs/dbraw/zinc/66/39/24/393663924.db2.gz OBKCRWSYEOBMAM-QPUJVOFHSA-N 2 2 261.196 3.381 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423423818 393666518 /nfs/dbraw/zinc/66/65/18/393666518.db2.gz LAWUTWKROUGGFX-RTBURBONSA-N 2 2 295.430 3.255 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433081527 393684429 /nfs/dbraw/zinc/68/44/29/393684429.db2.gz HGCXHSSKQIIYTP-AEFFLSMTSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CCC2)cc1C ZINC000433081527 393684432 /nfs/dbraw/zinc/68/44/32/393684432.db2.gz HGCXHSSKQIIYTP-AEFFLSMTSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CCSCC1)[NH+](C)C ZINC000443198614 393748794 /nfs/dbraw/zinc/74/87/94/393748794.db2.gz RRYZBVOQBRELIG-WMLDXEAASA-N 2 2 292.492 3.471 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CC(C)C1)[NH+](C)C ZINC000443222174 393749960 /nfs/dbraw/zinc/74/99/60/393749960.db2.gz ZIYMQNFFKBHIPX-LXDKRTHCSA-N 2 2 260.425 3.374 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946601 542827505 /nfs/dbraw/zinc/82/75/05/542827505.db2.gz KIFPKHNUHKONMA-ULQDDVLXSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000491550291 393695223 /nfs/dbraw/zinc/69/52/23/393695223.db2.gz XKZRTADPYGEMPU-MCIONIFRSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000491550291 393695226 /nfs/dbraw/zinc/69/52/26/393695226.db2.gz XKZRTADPYGEMPU-MCIONIFRSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000433231501 393701568 /nfs/dbraw/zinc/70/15/68/393701568.db2.gz KJQGSVXBDSMWDO-BBRMVZONSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436298153 393716750 /nfs/dbraw/zinc/71/67/50/393716750.db2.gz YTHYTCSSHHERGO-QEEHTWDDSA-N 2 2 298.474 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436298153 393716753 /nfs/dbraw/zinc/71/67/53/393716753.db2.gz YTHYTCSSHHERGO-QEEHTWDDSA-N 2 2 298.474 3.470 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497386080 393780694 /nfs/dbraw/zinc/78/06/94/393780694.db2.gz MQCPWNNFPQANMZ-SJORKVTESA-N 2 2 287.451 3.465 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000498380332 393781960 /nfs/dbraw/zinc/78/19/60/393781960.db2.gz FZRIECRKWRLTNT-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335632 393878675 /nfs/dbraw/zinc/87/86/75/393878675.db2.gz LUBOKZMDBVONIK-RQJABVFESA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335632 393878676 /nfs/dbraw/zinc/87/86/76/393878676.db2.gz LUBOKZMDBVONIK-RQJABVFESA-N 2 2 261.413 3.071 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565623 394019914 /nfs/dbraw/zinc/01/99/14/394019914.db2.gz KYFUPTMDEARLCA-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565623 394019916 /nfs/dbraw/zinc/01/99/16/394019916.db2.gz KYFUPTMDEARLCA-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565623 394019920 /nfs/dbraw/zinc/01/99/20/394019920.db2.gz KYFUPTMDEARLCA-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)[C@H](C)C1 ZINC000450565623 394019922 /nfs/dbraw/zinc/01/99/22/394019922.db2.gz KYFUPTMDEARLCA-KDOFPFPSSA-N 2 2 288.435 3.051 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Cl)s2)n1C ZINC000667481641 542875149 /nfs/dbraw/zinc/87/51/49/542875149.db2.gz BEWMKYWEIXMUDT-UHFFFAOYSA-N 2 2 269.801 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Cl)s2)n1C ZINC000667481641 542875150 /nfs/dbraw/zinc/87/51/50/542875150.db2.gz BEWMKYWEIXMUDT-UHFFFAOYSA-N 2 2 269.801 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C[N@@H+]1C1CC1 ZINC000453124822 394180505 /nfs/dbraw/zinc/18/05/05/394180505.db2.gz INHCYXNHRHVWKD-ISTRZQFTSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C[N@H+]1C1CC1 ZINC000453124822 394180506 /nfs/dbraw/zinc/18/05/06/394180506.db2.gz INHCYXNHRHVWKD-ISTRZQFTSA-N 2 2 262.441 3.170 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccncc1 ZINC000453180678 394197640 /nfs/dbraw/zinc/19/76/40/394197640.db2.gz PTZBEVPTLFJXGK-MRXNPFEDSA-N 2 2 255.365 3.068 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1C ZINC000667496825 542877800 /nfs/dbraw/zinc/87/78/00/542877800.db2.gz GNQUFLSGTHDDPR-INIZCTEOSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCSC[C@H]2c2ccccc2)n1C ZINC000667496825 542877802 /nfs/dbraw/zinc/87/78/02/542877802.db2.gz GNQUFLSGTHDDPR-INIZCTEOSA-N 2 2 287.432 3.019 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)n1C ZINC000667568161 542891768 /nfs/dbraw/zinc/89/17/68/542891768.db2.gz VQLYPQBKDWBLPJ-SFHVURJKSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)n1C ZINC000667568161 542891769 /nfs/dbraw/zinc/89/17/69/542891769.db2.gz VQLYPQBKDWBLPJ-SFHVURJKSA-N 2 2 297.446 3.492 20 0 CGADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658284 542908478 /nfs/dbraw/zinc/90/84/78/542908478.db2.gz CEXPZMFLGQEBRW-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658284 542908479 /nfs/dbraw/zinc/90/84/79/542908479.db2.gz CEXPZMFLGQEBRW-ZFWWWQNUSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641741 542902713 /nfs/dbraw/zinc/90/27/13/542902713.db2.gz BVCREJLQUYQEAW-CQSZACIVSA-N 2 2 275.440 3.478 20 0 CGADLP CC(C)(C)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641741 542902716 /nfs/dbraw/zinc/90/27/16/542902716.db2.gz BVCREJLQUYQEAW-CQSZACIVSA-N 2 2 275.440 3.478 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1C ZINC000667671181 542914026 /nfs/dbraw/zinc/91/40/26/542914026.db2.gz KFVDFSUOQUXFKE-YOEHRIQHSA-N 2 2 283.419 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)n1C ZINC000667671181 542914028 /nfs/dbraw/zinc/91/40/28/542914028.db2.gz KFVDFSUOQUXFKE-YOEHRIQHSA-N 2 2 283.419 3.182 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681639 542915629 /nfs/dbraw/zinc/91/56/29/542915629.db2.gz NHWHJOLOFHAIOZ-OAHLLOKOSA-N 2 2 285.435 3.250 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681639 542915631 /nfs/dbraw/zinc/91/56/31/542915631.db2.gz NHWHJOLOFHAIOZ-OAHLLOKOSA-N 2 2 285.435 3.250 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681639 542915635 /nfs/dbraw/zinc/91/56/35/542915635.db2.gz NHWHJOLOFHAIOZ-OAHLLOKOSA-N 2 2 285.435 3.250 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681639 542915638 /nfs/dbraw/zinc/91/56/38/542915638.db2.gz NHWHJOLOFHAIOZ-OAHLLOKOSA-N 2 2 285.435 3.250 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000667776275 542927877 /nfs/dbraw/zinc/92/78/77/542927877.db2.gz NAUQXFXEBCYJKC-JLSDUUJJSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+]1CCCC[C@H]1C ZINC000667783928 542928321 /nfs/dbraw/zinc/92/83/21/542928321.db2.gz BLXXJBDTTCGFSH-DGXTUMSLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+]1CCCC[C@H]1C ZINC000667783928 542928325 /nfs/dbraw/zinc/92/83/25/542928325.db2.gz BLXXJBDTTCGFSH-DGXTUMSLSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667833788 542935062 /nfs/dbraw/zinc/93/50/62/542935062.db2.gz BTZQWPIIIOGHPT-ILXRZTDVSA-N 2 2 259.397 3.052 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000668053643 542963275 /nfs/dbraw/zinc/96/32/75/542963275.db2.gz ZIVLYSORCFSKOO-GFCCVEGCSA-N 2 2 289.345 3.139 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1C ZINC000668053643 542963276 /nfs/dbraw/zinc/96/32/76/542963276.db2.gz ZIVLYSORCFSKOO-GFCCVEGCSA-N 2 2 289.345 3.139 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H](c3ccccc3)C1)CCC2 ZINC000668190078 542984895 /nfs/dbraw/zinc/98/48/95/542984895.db2.gz YZOPAWIJUMWMRZ-INIZCTEOSA-N 2 2 281.403 3.209 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H](c3ccccc3)C1)CCC2 ZINC000668190078 542984899 /nfs/dbraw/zinc/98/48/99/542984899.db2.gz YZOPAWIJUMWMRZ-INIZCTEOSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174077 542980265 /nfs/dbraw/zinc/98/02/65/542980265.db2.gz CNOLQODSYWFFSL-KBPBESRZSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174077 542980267 /nfs/dbraw/zinc/98/02/67/542980267.db2.gz CNOLQODSYWFFSL-KBPBESRZSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000668431795 543012734 /nfs/dbraw/zinc/01/27/34/543012734.db2.gz DVSMQSSQXSISDN-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000668431795 543012737 /nfs/dbraw/zinc/01/27/37/543012737.db2.gz DVSMQSSQXSISDN-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCc3ccccc3C(C)(C)C2)n1C ZINC000668476398 543018968 /nfs/dbraw/zinc/01/89/68/543018968.db2.gz FDJVJKYSLXCMRB-UHFFFAOYSA-N 2 2 283.419 3.064 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419026 543104878 /nfs/dbraw/zinc/10/48/78/543104878.db2.gz ZGQIQRGGMLMTTH-QCEMKRCNSA-N 2 2 290.476 3.314 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419026 543104881 /nfs/dbraw/zinc/10/48/81/543104881.db2.gz ZGQIQRGGMLMTTH-QCEMKRCNSA-N 2 2 290.476 3.314 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)(C)C ZINC000670270575 543150255 /nfs/dbraw/zinc/15/02/55/543150255.db2.gz URLAZQGKVLCIJW-DZGCQCFKSA-N 2 2 262.397 3.217 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)(C)C ZINC000670270575 543150256 /nfs/dbraw/zinc/15/02/56/543150256.db2.gz URLAZQGKVLCIJW-DZGCQCFKSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000390911234 397692773 /nfs/dbraw/zinc/69/27/73/397692773.db2.gz YBSNDNNLLXUSKB-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000390911234 397692776 /nfs/dbraw/zinc/69/27/76/397692776.db2.gz YBSNDNNLLXUSKB-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2ccsc21)[C@H]1CCC[NH2+]1 ZINC000650740424 397904451 /nfs/dbraw/zinc/90/44/51/397904451.db2.gz MCZLYYMLFOCDLJ-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877516 543302065 /nfs/dbraw/zinc/30/20/65/543302065.db2.gz VEUSAAPTGMIXSO-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000674877516 543302067 /nfs/dbraw/zinc/30/20/67/543302067.db2.gz VEUSAAPTGMIXSO-IINYFYTJSA-N 2 2 287.234 3.076 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000674711098 543294012 /nfs/dbraw/zinc/29/40/12/543294012.db2.gz OMZFJAVTMNTOQX-WMLDXEAASA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000674711098 543294014 /nfs/dbraw/zinc/29/40/14/543294014.db2.gz OMZFJAVTMNTOQX-WMLDXEAASA-N 2 2 272.436 3.354 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675766650 543362222 /nfs/dbraw/zinc/36/22/22/543362222.db2.gz NECSXIPJFSKPBI-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675766650 543362224 /nfs/dbraw/zinc/36/22/24/543362224.db2.gz NECSXIPJFSKPBI-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675752646 543360595 /nfs/dbraw/zinc/36/05/95/543360595.db2.gz JIOHYLKHIUPPAI-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000676082354 543382062 /nfs/dbraw/zinc/38/20/62/543382062.db2.gz LXCHBYYXWTXCSU-AWEZNQCLSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000676082354 543382064 /nfs/dbraw/zinc/38/20/64/543382064.db2.gz LXCHBYYXWTXCSU-AWEZNQCLSA-N 2 2 291.345 3.041 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)c[nH+]1 ZINC000677554077 543454670 /nfs/dbraw/zinc/45/46/70/543454670.db2.gz NFFXKDDSUJJBGO-CQSZACIVSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)c[nH+]1 ZINC000677554077 543454674 /nfs/dbraw/zinc/45/46/74/543454674.db2.gz NFFXKDDSUJJBGO-CQSZACIVSA-N 2 2 288.420 3.054 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404193 572749965 /nfs/dbraw/zinc/74/99/65/572749965.db2.gz JNYOMYWDSBHHKN-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404193 572749968 /nfs/dbraw/zinc/74/99/68/572749968.db2.gz JNYOMYWDSBHHKN-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404193 572749972 /nfs/dbraw/zinc/74/99/72/572749972.db2.gz JNYOMYWDSBHHKN-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404193 572749975 /nfs/dbraw/zinc/74/99/75/572749975.db2.gz JNYOMYWDSBHHKN-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000678079276 543482459 /nfs/dbraw/zinc/48/24/59/543482459.db2.gz UBDVKAHDODLROE-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000678079276 543482461 /nfs/dbraw/zinc/48/24/61/543482461.db2.gz UBDVKAHDODLROE-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079276 543482463 /nfs/dbraw/zinc/48/24/63/543482463.db2.gz UBDVKAHDODLROE-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678079276 543482465 /nfs/dbraw/zinc/48/24/65/543482465.db2.gz UBDVKAHDODLROE-HOTGVXAUSA-N 2 2 262.372 3.057 20 0 CGADLP COc1ccccc1/C=C\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000678267137 543505485 /nfs/dbraw/zinc/50/54/85/543505485.db2.gz NUFZSAKBWZDWQT-XQRVVYSFSA-N 2 2 297.402 3.311 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340882 543516141 /nfs/dbraw/zinc/51/61/41/543516141.db2.gz SAWMGHODWNVSMN-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340882 543516142 /nfs/dbraw/zinc/51/61/42/543516142.db2.gz SAWMGHODWNVSMN-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3Cl)CC[C@H]21 ZINC000678340882 543516143 /nfs/dbraw/zinc/51/61/43/543516143.db2.gz SAWMGHODWNVSMN-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cnccc3C)[nH+]c12 ZINC000678543958 543534694 /nfs/dbraw/zinc/53/46/94/543534694.db2.gz ONMRQKPAGRGSSC-OAHLLOKOSA-N 2 2 294.402 3.239 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000678683078 543549043 /nfs/dbraw/zinc/54/90/43/543549043.db2.gz KZLMNMRFHCZBSG-WBVHZDCISA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000678683078 543549044 /nfs/dbraw/zinc/54/90/44/543549044.db2.gz KZLMNMRFHCZBSG-WBVHZDCISA-N 2 2 276.424 3.076 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955885 543577431 /nfs/dbraw/zinc/57/74/31/543577431.db2.gz FHPNMGWFAFYGNP-CXAGYDPISA-N 2 2 276.399 3.003 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955885 543577433 /nfs/dbraw/zinc/57/74/33/543577433.db2.gz FHPNMGWFAFYGNP-CXAGYDPISA-N 2 2 276.399 3.003 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000474705117 286150081 /nfs/dbraw/zinc/15/00/81/286150081.db2.gz CBHOQTGKLRHFMD-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000474705117 286150083 /nfs/dbraw/zinc/15/00/83/286150083.db2.gz CBHOQTGKLRHFMD-BBWFWOEESA-N 2 2 282.472 3.046 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1SC ZINC000154607230 286246959 /nfs/dbraw/zinc/24/69/59/286246959.db2.gz JQDUXMUXVYWYBM-JSGCOSHPSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1SC ZINC000154607230 286246961 /nfs/dbraw/zinc/24/69/61/286246961.db2.gz JQDUXMUXVYWYBM-JSGCOSHPSA-N 2 2 294.464 3.162 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000679015647 543582898 /nfs/dbraw/zinc/58/28/98/543582898.db2.gz ITUAEPZCVBIPIE-BBRMVZONSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@H+]1C1CC1 ZINC000679015647 543582901 /nfs/dbraw/zinc/58/29/01/543582901.db2.gz ITUAEPZCVBIPIE-BBRMVZONSA-N 2 2 288.410 3.420 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000040433309 286890532 /nfs/dbraw/zinc/89/05/32/286890532.db2.gz XAXKNCOQPJGOMQ-GOSISDBHSA-N 2 2 272.436 3.010 20 0 CGADLP CCn1cc[nH+]c1CNc1ccc([NH+]2CCCC2)cc1C ZINC000051921859 286934907 /nfs/dbraw/zinc/93/49/07/286934907.db2.gz JTTOATOMUYIDDP-UHFFFAOYSA-N 2 2 284.407 3.424 20 0 CGADLP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070281746 165058941 /nfs/dbraw/zinc/05/89/41/165058941.db2.gz UZAXIGAMZJJRFG-IUODEOHRSA-N 2 2 284.806 3.470 20 0 CGADLP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070281746 165058945 /nfs/dbraw/zinc/05/89/45/165058945.db2.gz UZAXIGAMZJJRFG-IUODEOHRSA-N 2 2 284.806 3.470 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000080231025 165153851 /nfs/dbraw/zinc/15/38/51/165153851.db2.gz MZRZGCBYEWHVIX-PBHICJAKSA-N 2 2 296.418 3.250 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000080231025 165153855 /nfs/dbraw/zinc/15/38/55/165153855.db2.gz MZRZGCBYEWHVIX-PBHICJAKSA-N 2 2 296.418 3.250 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C12CCCCC2 ZINC000087295213 165187316 /nfs/dbraw/zinc/18/73/16/165187316.db2.gz LJSZLSFUAMWRNS-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087759135 165191405 /nfs/dbraw/zinc/19/14/05/165191405.db2.gz CVBFDIBFRTVKEY-JTQLQIEISA-N 2 2 275.223 3.423 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959742 165277221 /nfs/dbraw/zinc/27/72/21/165277221.db2.gz XYBDTKPNESABAC-XJKSGUPXSA-N 2 2 273.380 3.122 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959742 165277225 /nfs/dbraw/zinc/27/72/25/165277225.db2.gz XYBDTKPNESABAC-XJKSGUPXSA-N 2 2 273.380 3.122 20 0 CGADLP C[N@@H+](Cc1cnc(C2CCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253900 165287120 /nfs/dbraw/zinc/28/71/20/165287120.db2.gz JIMHFGHIYIWXKG-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[N@H+](Cc1cnc(C2CCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253900 165287121 /nfs/dbraw/zinc/28/71/21/165287121.db2.gz JIMHFGHIYIWXKG-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253900 165287123 /nfs/dbraw/zinc/28/71/23/165287123.db2.gz JIMHFGHIYIWXKG-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP C[NH+](Cc1cnc(C2CCC2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253900 165287125 /nfs/dbraw/zinc/28/71/25/165287125.db2.gz JIMHFGHIYIWXKG-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)c[nH+]c12 ZINC000092485674 165297661 /nfs/dbraw/zinc/29/76/61/165297661.db2.gz JTSYEOZGMNQJBC-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccn2c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)c[nH+]c12 ZINC000092485674 165297669 /nfs/dbraw/zinc/29/76/69/165297669.db2.gz JTSYEOZGMNQJBC-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000092648685 165308427 /nfs/dbraw/zinc/30/84/27/165308427.db2.gz OCDRXECUSGLXNR-UHFFFAOYSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccnc2)[NH+](C)C)cc1 ZINC000092742588 165311238 /nfs/dbraw/zinc/31/12/38/165311238.db2.gz JYKBTYWUSDDFQV-YJBOKZPZSA-N 2 2 283.419 3.344 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000094965707 165397879 /nfs/dbraw/zinc/39/78/79/165397879.db2.gz HMGCMGHEBANGDP-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000093753090 287119108 /nfs/dbraw/zinc/11/91/08/287119108.db2.gz QYXSOBYZCZNWLU-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000093753090 287119111 /nfs/dbraw/zinc/11/91/11/287119111.db2.gz QYXSOBYZCZNWLU-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093753090 287119113 /nfs/dbraw/zinc/11/91/13/287119113.db2.gz QYXSOBYZCZNWLU-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093753090 287119114 /nfs/dbraw/zinc/11/91/14/287119114.db2.gz QYXSOBYZCZNWLU-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261577759 165820222 /nfs/dbraw/zinc/82/02/22/165820222.db2.gz OOSGFDBYVQKUOU-PKFCDNJMSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261577759 165820224 /nfs/dbraw/zinc/82/02/24/165820224.db2.gz OOSGFDBYVQKUOU-PKFCDNJMSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000122296782 287208521 /nfs/dbraw/zinc/20/85/21/287208521.db2.gz BPNAZFQZQZFAJP-FZMZJTMJSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000122296782 287208522 /nfs/dbraw/zinc/20/85/22/287208522.db2.gz BPNAZFQZQZFAJP-FZMZJTMJSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000294738642 297188232 /nfs/dbraw/zinc/18/82/32/297188232.db2.gz JNPFITIKYVDFPO-PVAVHDDUSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000020506110 171228554 /nfs/dbraw/zinc/22/85/54/171228554.db2.gz RLBPUCYLUMFIGU-GFCCVEGCSA-N 2 2 295.333 3.225 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1F ZINC000037228328 173048033 /nfs/dbraw/zinc/04/80/33/173048033.db2.gz XFWHGUNEEQRATK-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1F ZINC000037228328 173048036 /nfs/dbraw/zinc/04/80/36/173048036.db2.gz XFWHGUNEEQRATK-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249308 173062398 /nfs/dbraw/zinc/06/23/98/173062398.db2.gz RLBZJADCYTXOTJ-KRWDZBQOSA-N 2 2 269.392 3.323 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000037255567 173067204 /nfs/dbraw/zinc/06/72/04/173067204.db2.gz WEFZOQWLXVFCNM-CQSZACIVSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1ccccc1)[NH+](C)C ZINC000038087627 174099310 /nfs/dbraw/zinc/09/93/10/174099310.db2.gz RTYMUAKNWUZBCC-LSDHHAIUSA-N 2 2 262.441 3.283 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127886393 287298237 /nfs/dbraw/zinc/29/82/37/287298237.db2.gz IDBBJKIWJZZDNM-OLZOCXBDSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000127886393 287298240 /nfs/dbraw/zinc/29/82/40/287298240.db2.gz IDBBJKIWJZZDNM-OLZOCXBDSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1csc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000070939668 176013031 /nfs/dbraw/zinc/01/30/31/176013031.db2.gz AFBXMBMDAZFPRS-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000310843701 416532106 /nfs/dbraw/zinc/53/21/06/416532106.db2.gz BPQIHLKOWZUPJQ-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000310843701 416532110 /nfs/dbraw/zinc/53/21/10/416532110.db2.gz BPQIHLKOWZUPJQ-DGCLKSJQSA-N 2 2 284.856 3.366 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800007 416534418 /nfs/dbraw/zinc/53/44/18/416534418.db2.gz RGTFNLWCXWWSMY-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800007 416534423 /nfs/dbraw/zinc/53/44/23/416534423.db2.gz RGTFNLWCXWWSMY-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800007 416534427 /nfs/dbraw/zinc/53/44/27/416534427.db2.gz RGTFNLWCXWWSMY-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800007 416534432 /nfs/dbraw/zinc/53/44/32/416534432.db2.gz RGTFNLWCXWWSMY-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000312677287 416534906 /nfs/dbraw/zinc/53/49/06/416534906.db2.gz KEWGLMXVNJMJHW-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000312677287 416534911 /nfs/dbraw/zinc/53/49/11/416534911.db2.gz KEWGLMXVNJMJHW-LRDDRELGSA-N 2 2 293.480 3.001 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)[C@@H]1CC[NH3+] ZINC000404413551 416554722 /nfs/dbraw/zinc/55/47/22/416554722.db2.gz DZLDHWRMMKDOPZ-ZUZCIYMTSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)[C@@H]1CC[NH3+] ZINC000404413551 416554727 /nfs/dbraw/zinc/55/47/27/416554727.db2.gz DZLDHWRMMKDOPZ-ZUZCIYMTSA-N 2 2 286.341 3.053 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123028860 416505283 /nfs/dbraw/zinc/50/52/83/416505283.db2.gz FSKPKUYFWBYOFY-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123028860 416505289 /nfs/dbraw/zinc/50/52/89/416505289.db2.gz FSKPKUYFWBYOFY-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000124549344 416507050 /nfs/dbraw/zinc/50/70/50/416507050.db2.gz LWPHKYPNFYQFQX-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000124549344 416507052 /nfs/dbraw/zinc/50/70/52/416507052.db2.gz LWPHKYPNFYQFQX-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386453 543631776 /nfs/dbraw/zinc/63/17/76/543631776.db2.gz NDGHARREWGMSOJ-ZWKOTPCHSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386453 543631778 /nfs/dbraw/zinc/63/17/78/543631778.db2.gz NDGHARREWGMSOJ-ZWKOTPCHSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000130240174 287348554 /nfs/dbraw/zinc/34/85/54/287348554.db2.gz RHFCFIYXIDHRJT-VYDXJSESSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000130240174 287348557 /nfs/dbraw/zinc/34/85/57/287348557.db2.gz RHFCFIYXIDHRJT-VYDXJSESSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1F ZINC000680335762 543699982 /nfs/dbraw/zinc/69/99/82/543699982.db2.gz ZXTLJAQAANPVKT-RISCZKNCSA-N 2 2 279.384 3.114 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1F ZINC000680335762 543699983 /nfs/dbraw/zinc/69/99/83/543699983.db2.gz ZXTLJAQAANPVKT-RISCZKNCSA-N 2 2 279.384 3.114 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000130392069 287354004 /nfs/dbraw/zinc/35/40/04/287354004.db2.gz ZXNNDMUSNLPETF-JKSUJKDBSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000681137466 543770155 /nfs/dbraw/zinc/77/01/55/543770155.db2.gz OZGBJURJMNDWGJ-DOTOQJQBSA-N 2 2 272.436 3.365 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000681137466 543770157 /nfs/dbraw/zinc/77/01/57/543770157.db2.gz OZGBJURJMNDWGJ-DOTOQJQBSA-N 2 2 272.436 3.365 20 0 CGADLP c1cn(CC[N@H+](CCc2ccccc2)C2CCCC2)c[nH+]1 ZINC000130837675 287364664 /nfs/dbraw/zinc/36/46/64/287364664.db2.gz DSPFRIUNDZHANB-UHFFFAOYSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CC[N@@H+](CCc2ccccc2)C2CCCC2)c[nH+]1 ZINC000130837675 287364665 /nfs/dbraw/zinc/36/46/65/287364665.db2.gz DSPFRIUNDZHANB-UHFFFAOYSA-N 2 2 283.419 3.370 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000682376978 543838236 /nfs/dbraw/zinc/83/82/36/543838236.db2.gz RNECMCJJSDVNSH-NXHRZFHOSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOc3ccccc3C2)c[nH+]1 ZINC000684356928 543984360 /nfs/dbraw/zinc/98/43/60/543984360.db2.gz HPGNXMYHWMOSFW-UHFFFAOYSA-N 2 2 282.387 3.217 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOc3ccccc3C2)c[nH+]1 ZINC000684356928 543984361 /nfs/dbraw/zinc/98/43/61/543984361.db2.gz HPGNXMYHWMOSFW-UHFFFAOYSA-N 2 2 282.387 3.217 20 0 CGADLP CC(C)C1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000684409021 543995156 /nfs/dbraw/zinc/99/51/56/543995156.db2.gz YHKJEWQKWPDETD-UHFFFAOYSA-N 2 2 261.394 3.022 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2c(s1)CCCC2 ZINC000685462699 544074808 /nfs/dbraw/zinc/07/48/08/544074808.db2.gz JYTKNYHFNIBTFU-UHFFFAOYSA-N 2 2 295.496 3.186 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2c(s1)CCCC2 ZINC000685462699 544074810 /nfs/dbraw/zinc/07/48/10/544074810.db2.gz JYTKNYHFNIBTFU-UHFFFAOYSA-N 2 2 295.496 3.186 20 0 CGADLP FCCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367136550 227245780 /nfs/dbraw/zinc/24/57/80/227245780.db2.gz ATSKPLJVCAUQDD-AWEZNQCLSA-N 2 2 279.403 3.149 20 0 CGADLP FCCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367136550 227245782 /nfs/dbraw/zinc/24/57/82/227245782.db2.gz ATSKPLJVCAUQDD-AWEZNQCLSA-N 2 2 279.403 3.149 20 0 CGADLP c1coc(CCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000658328485 418936544 /nfs/dbraw/zinc/93/65/44/418936544.db2.gz XHUREAPOCWYEML-SFHVURJKSA-N 2 2 298.430 3.466 20 0 CGADLP c1coc(CCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000658328485 418936545 /nfs/dbraw/zinc/93/65/45/418936545.db2.gz XHUREAPOCWYEML-SFHVURJKSA-N 2 2 298.430 3.466 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882333 419027266 /nfs/dbraw/zinc/02/72/66/419027266.db2.gz GYADEABGIIKRKB-SJORKVTESA-N 2 2 291.439 3.115 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882333 419027267 /nfs/dbraw/zinc/02/72/67/419027267.db2.gz GYADEABGIIKRKB-SJORKVTESA-N 2 2 291.439 3.115 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCc2ccccc21 ZINC000660147286 419088798 /nfs/dbraw/zinc/08/87/98/419088798.db2.gz BHXCALDGXBWEPE-KRWDZBQOSA-N 2 2 283.419 3.325 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCc2ccccc21 ZINC000660147286 419088804 /nfs/dbraw/zinc/08/88/04/419088804.db2.gz BHXCALDGXBWEPE-KRWDZBQOSA-N 2 2 283.419 3.325 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1F ZINC000665249721 419092357 /nfs/dbraw/zinc/09/23/57/419092357.db2.gz XSRNVDXQEDRRMO-CQSZACIVSA-N 2 2 268.351 3.277 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1Cl ZINC000665249246 419092724 /nfs/dbraw/zinc/09/27/24/419092724.db2.gz LZJNAJPUUHSLEX-JTQLQIEISA-N 2 2 270.779 3.401 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncc1 ZINC000665257313 419095045 /nfs/dbraw/zinc/09/50/45/419095045.db2.gz FWZJQNNRMPCKLQ-MORSLUCNSA-N 2 2 299.393 3.017 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000665262058 419095264 /nfs/dbraw/zinc/09/52/64/419095264.db2.gz SEBZOTOYYUOECN-BBRMVZONSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000665257758 419095487 /nfs/dbraw/zinc/09/54/87/419095487.db2.gz SZUPCDUNNLHDGF-MORSLUCNSA-N 2 2 299.393 3.017 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1Cl ZINC000665276336 419099960 /nfs/dbraw/zinc/09/99/60/419099960.db2.gz ABDBPIQRUUXKDB-NAUIOFCNSA-N 2 2 285.218 3.396 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278658 419101159 /nfs/dbraw/zinc/10/11/59/419101159.db2.gz LKUWXPFPQNQUMK-AJPWXKBRSA-N 2 2 292.426 3.426 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000665294025 419107292 /nfs/dbraw/zinc/10/72/92/419107292.db2.gz HAILCGRNTHRFNO-CHWSQXEVSA-N 2 2 272.392 3.107 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000660239760 419108262 /nfs/dbraw/zinc/10/82/62/419108262.db2.gz SRUJYMSVSBPQJN-KSSFIOAISA-N 2 2 299.418 3.338 20 0 CGADLP CCOc1ccc([C@H](CC)[NH2+][C@@H](C)C[NH2+]C)cc1OCC ZINC000665296107 419108524 /nfs/dbraw/zinc/10/85/24/419108524.db2.gz MUYBEVUNVFQYCM-ZFWWWQNUSA-N 2 2 294.439 3.133 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000665295733 419108681 /nfs/dbraw/zinc/10/86/81/419108681.db2.gz IIYKMDBEGHFEPI-RKDXNWHRSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000665296310 419109498 /nfs/dbraw/zinc/10/94/98/419109498.db2.gz QHWSHHMECDASFS-LRDDRELGSA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000665296442 419109581 /nfs/dbraw/zinc/10/95/81/419109581.db2.gz SOEQGPOJCCQESE-QMTHXVAHSA-N 2 2 286.341 3.354 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000665296316 419109679 /nfs/dbraw/zinc/10/96/79/419109679.db2.gz QIBCFYPFSSQIEG-ZYHUDNBSSA-N 2 2 276.380 3.008 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000665298701 419110139 /nfs/dbraw/zinc/11/01/39/419110139.db2.gz ZXOFNWGBKZFBGS-GXFFZTMASA-N 2 2 290.329 3.234 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000665298702 419111398 /nfs/dbraw/zinc/11/13/98/419111398.db2.gz ZXOFNWGBKZFBGS-MFKMUULPSA-N 2 2 290.329 3.234 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848733 419118040 /nfs/dbraw/zinc/11/80/40/419118040.db2.gz KBINUIKEWUFUCB-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848733 419118045 /nfs/dbraw/zinc/11/80/45/419118045.db2.gz KBINUIKEWUFUCB-JLSDUUJJSA-N 2 2 290.426 3.363 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848167 419118393 /nfs/dbraw/zinc/11/83/93/419118393.db2.gz GLVFTXIGCVMXEB-FGTMMUONSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848167 419118395 /nfs/dbraw/zinc/11/83/95/419118395.db2.gz GLVFTXIGCVMXEB-FGTMMUONSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000655848219 419119027 /nfs/dbraw/zinc/11/90/27/419119027.db2.gz HMPHBAMXUPPVAK-IAOVAPTHSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000655848219 419119029 /nfs/dbraw/zinc/11/90/29/419119029.db2.gz HMPHBAMXUPPVAK-IAOVAPTHSA-N 2 2 276.399 3.493 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2cn1 ZINC000655855978 419122849 /nfs/dbraw/zinc/12/28/49/419122849.db2.gz JYRZNMTYNGGRHE-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2cn1 ZINC000655855978 419122852 /nfs/dbraw/zinc/12/28/52/419122852.db2.gz JYRZNMTYNGGRHE-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000655684785 419064740 /nfs/dbraw/zinc/06/47/40/419064740.db2.gz XJZOLDIQKPWDEB-KGLIPLIRSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000656224943 419154320 /nfs/dbraw/zinc/15/43/20/419154320.db2.gz AYESWTWMWLYEGC-LSDHHAIUSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000656224943 419154324 /nfs/dbraw/zinc/15/43/24/419154324.db2.gz AYESWTWMWLYEGC-LSDHHAIUSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC000656277696 419165207 /nfs/dbraw/zinc/16/52/07/419165207.db2.gz AQMVZHVCAMZBHM-QGZVFWFLSA-N 2 2 288.435 3.404 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660584375 419165618 /nfs/dbraw/zinc/16/56/18/419165618.db2.gz SDWCXECWWBYWCM-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660584375 419165622 /nfs/dbraw/zinc/16/56/22/419165622.db2.gz SDWCXECWWBYWCM-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655668 419177312 /nfs/dbraw/zinc/17/73/12/419177312.db2.gz PFXRAKXQETWMGO-PBHICJAKSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655668 419177314 /nfs/dbraw/zinc/17/73/14/419177314.db2.gz PFXRAKXQETWMGO-PBHICJAKSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655668 419177317 /nfs/dbraw/zinc/17/73/17/419177317.db2.gz PFXRAKXQETWMGO-PBHICJAKSA-N 2 2 276.399 3.304 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655668 419177318 /nfs/dbraw/zinc/17/73/18/419177318.db2.gz PFXRAKXQETWMGO-PBHICJAKSA-N 2 2 276.399 3.304 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1sccc1Cl)C2 ZINC000660661674 419178922 /nfs/dbraw/zinc/17/89/22/419178922.db2.gz DYHRKAVCGSNJCE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1sccc1Cl)C2 ZINC000660661674 419178925 /nfs/dbraw/zinc/17/89/25/419178925.db2.gz DYHRKAVCGSNJCE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1sccc1Cl)C2 ZINC000660661674 419178926 /nfs/dbraw/zinc/17/89/26/419178926.db2.gz DYHRKAVCGSNJCE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1sccc1Cl)C2 ZINC000660661674 419178929 /nfs/dbraw/zinc/17/89/29/419178929.db2.gz DYHRKAVCGSNJCE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)cc1 ZINC000657287893 419243230 /nfs/dbraw/zinc/24/32/30/419243230.db2.gz ZMOHWKWJISJDAE-NSHDSACASA-N 2 2 275.783 3.334 20 0 CGADLP Clc1ccc(CCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657349705 419256872 /nfs/dbraw/zinc/25/68/72/419256872.db2.gz KDWKUIIWUVSHLE-UHFFFAOYSA-N 2 2 289.810 3.205 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228668 419200778 /nfs/dbraw/zinc/20/07/78/419200778.db2.gz VIVPQFMBDFLWGE-XOUADPBQSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228668 419200781 /nfs/dbraw/zinc/20/07/81/419200781.db2.gz VIVPQFMBDFLWGE-XOUADPBQSA-N 2 2 294.389 3.140 20 0 CGADLP FCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856026 419204130 /nfs/dbraw/zinc/20/41/30/419204130.db2.gz WTMCHLWXDTURJH-UHFFFAOYSA-N 2 2 275.371 3.177 20 0 CGADLP CC[C@@H](C)Oc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656783053 419217928 /nfs/dbraw/zinc/21/79/28/419217928.db2.gz MZTMDCZZCVIWNJ-CYBMUJFWSA-N 2 2 294.439 3.042 20 0 CGADLP CC[C@@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656783053 419217930 /nfs/dbraw/zinc/21/79/30/419217930.db2.gz MZTMDCZZCVIWNJ-CYBMUJFWSA-N 2 2 294.439 3.042 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1-n1cc[nH+]c1 ZINC000657233469 419234331 /nfs/dbraw/zinc/23/43/31/419234331.db2.gz QPZQYKCLSVSQQN-YCPHGPKFSA-N 2 2 285.366 3.290 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657415325 419273706 /nfs/dbraw/zinc/27/37/06/419273706.db2.gz JNIYSYCQUHKRDO-UHFFFAOYSA-N 2 2 261.413 3.135 20 0 CGADLP CC[NH+](CC)Cc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000657444644 419280997 /nfs/dbraw/zinc/28/09/97/419280997.db2.gz IJMPQVKSOXUMBS-UHFFFAOYSA-N 2 2 286.423 3.480 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000657525821 419296987 /nfs/dbraw/zinc/29/69/87/419296987.db2.gz WVZCXTQFIQDBHA-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000657525821 419296989 /nfs/dbraw/zinc/29/69/89/419296989.db2.gz WVZCXTQFIQDBHA-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000657523050 419298175 /nfs/dbraw/zinc/29/81/75/419298175.db2.gz CYDZCPPZZNURFM-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000657523050 419298178 /nfs/dbraw/zinc/29/81/78/419298178.db2.gz CYDZCPPZZNURFM-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527735 419298798 /nfs/dbraw/zinc/29/87/98/419298798.db2.gz YHFMILFZUXSOMV-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527735 419298801 /nfs/dbraw/zinc/29/88/01/419298801.db2.gz YHFMILFZUXSOMV-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP CC[C@H](C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657587912 419310238 /nfs/dbraw/zinc/31/02/38/419310238.db2.gz ZUFYYXUPGWIDPD-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2F)C(C)C)n1C ZINC000657614790 419314301 /nfs/dbraw/zinc/31/43/01/419314301.db2.gz QPKWVXKEBITYPR-MRXNPFEDSA-N 2 2 275.371 3.355 20 0 CGADLP CC(C)(C)OCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657636869 419316983 /nfs/dbraw/zinc/31/69/83/419316983.db2.gz CHOASAWFHXYDIB-UHFFFAOYSA-N 2 2 287.407 3.167 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cc21 ZINC000657395100 419269684 /nfs/dbraw/zinc/26/96/84/419269684.db2.gz ZSWMAJYCRONSIY-ACJLOTCBSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc21 ZINC000657395100 419269687 /nfs/dbraw/zinc/26/96/87/419269687.db2.gz ZSWMAJYCRONSIY-ACJLOTCBSA-N 2 2 283.419 3.049 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000657679855 419327231 /nfs/dbraw/zinc/32/72/31/419327231.db2.gz GNEIQJZTAWBAPO-CYBMUJFWSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@@H+]1C1CC1 ZINC000657717343 419332948 /nfs/dbraw/zinc/33/29/48/419332948.db2.gz PKSPLIYEPLDAJG-SDFYHXNISA-N 2 2 284.394 3.169 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@H+]1C1CC1 ZINC000657717343 419332950 /nfs/dbraw/zinc/33/29/50/419332950.db2.gz PKSPLIYEPLDAJG-SDFYHXNISA-N 2 2 284.394 3.169 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657742738 419335270 /nfs/dbraw/zinc/33/52/70/419335270.db2.gz WGQUYWPADSDRPQ-JQHSSLGASA-N 2 2 287.451 3.182 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657742738 419335273 /nfs/dbraw/zinc/33/52/73/419335273.db2.gz WGQUYWPADSDRPQ-JQHSSLGASA-N 2 2 287.451 3.182 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCC(C)CC1 ZINC000657857707 419389785 /nfs/dbraw/zinc/38/97/85/419389785.db2.gz BIXGMZFILBSPCI-OLZOCXBDSA-N 2 2 276.415 3.376 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000657883177 419403172 /nfs/dbraw/zinc/40/31/72/419403172.db2.gz YOZPPWOBBYIDST-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000657883177 419403176 /nfs/dbraw/zinc/40/31/76/419403176.db2.gz YOZPPWOBBYIDST-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657836334 419380947 /nfs/dbraw/zinc/38/09/47/419380947.db2.gz KMCWNKWSKSMKLK-RYUDHWBXSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657836334 419380951 /nfs/dbraw/zinc/38/09/51/419380951.db2.gz KMCWNKWSKSMKLK-RYUDHWBXSA-N 2 2 262.388 3.130 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657951845 419456892 /nfs/dbraw/zinc/45/68/92/419456892.db2.gz FOPZQRJRXWEHSH-MISXGVKJSA-N 2 2 283.366 3.010 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657951845 419456896 /nfs/dbraw/zinc/45/68/96/419456896.db2.gz FOPZQRJRXWEHSH-MISXGVKJSA-N 2 2 283.366 3.010 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)o1 ZINC000658054287 419522609 /nfs/dbraw/zinc/52/26/09/419522609.db2.gz CVKFPAFDPRHGNE-OCCSQVGLSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(C)o1 ZINC000658054287 419522618 /nfs/dbraw/zinc/52/26/18/419522618.db2.gz CVKFPAFDPRHGNE-OCCSQVGLSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658054631 419523263 /nfs/dbraw/zinc/52/32/63/419523263.db2.gz FRHBUKGLYIIHID-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658054631 419523276 /nfs/dbraw/zinc/52/32/76/419523276.db2.gz FRHBUKGLYIIHID-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000658054583 419524365 /nfs/dbraw/zinc/52/43/65/419524365.db2.gz FJPAIOKHJPDTBP-WCQYABFASA-N 2 2 252.427 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000658054583 419524374 /nfs/dbraw/zinc/52/43/74/419524374.db2.gz FJPAIOKHJPDTBP-WCQYABFASA-N 2 2 252.427 3.272 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658055407 419525516 /nfs/dbraw/zinc/52/55/16/419525516.db2.gz IPXSXZCWJNPPRB-ZFWWWQNUSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658055407 419525523 /nfs/dbraw/zinc/52/55/23/419525523.db2.gz IPXSXZCWJNPPRB-ZFWWWQNUSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000658058482 419528396 /nfs/dbraw/zinc/52/83/96/419528396.db2.gz DMPNJZWUJGXRPL-JSGCOSHPSA-N 2 2 262.397 3.119 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000658058482 419528403 /nfs/dbraw/zinc/52/84/03/419528403.db2.gz DMPNJZWUJGXRPL-JSGCOSHPSA-N 2 2 262.397 3.119 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059422 419533482 /nfs/dbraw/zinc/53/34/82/419533482.db2.gz JAMVTPNHNNMUCQ-RDJZCZTQSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059422 419533489 /nfs/dbraw/zinc/53/34/89/419533489.db2.gz JAMVTPNHNNMUCQ-RDJZCZTQSA-N 2 2 289.467 3.255 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658062006 419536140 /nfs/dbraw/zinc/53/61/40/419536140.db2.gz QSTFXEPHSAAOCO-IRXDYDNUSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658062006 419536146 /nfs/dbraw/zinc/53/61/46/419536146.db2.gz QSTFXEPHSAAOCO-IRXDYDNUSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092639 419568941 /nfs/dbraw/zinc/56/89/41/419568941.db2.gz QYPCMPFSCVRSNC-UKPHBRMFSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092639 419568949 /nfs/dbraw/zinc/56/89/49/419568949.db2.gz QYPCMPFSCVRSNC-UKPHBRMFSA-N 2 2 272.436 3.382 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034456 419511587 /nfs/dbraw/zinc/51/15/87/419511587.db2.gz FTTXQNIITKMRSZ-OAHLLOKOSA-N 2 2 291.826 3.227 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034725 419512050 /nfs/dbraw/zinc/51/20/50/419512050.db2.gz HYJKUQNQSVMIPQ-HNNXBMFYSA-N 2 2 297.446 3.062 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1F ZINC000658166653 419629927 /nfs/dbraw/zinc/62/99/27/419629927.db2.gz KIYMSKBZGDWZCY-RCBQFDQVSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1F ZINC000658166653 419629932 /nfs/dbraw/zinc/62/99/32/419629932.db2.gz KIYMSKBZGDWZCY-RCBQFDQVSA-N 2 2 264.388 3.063 20 0 CGADLP c1cc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)co1 ZINC000658198072 419651561 /nfs/dbraw/zinc/65/15/61/419651561.db2.gz IIIXVFBOIPYAJK-SFHVURJKSA-N 2 2 284.403 3.076 20 0 CGADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000658198072 419651569 /nfs/dbraw/zinc/65/15/69/419651569.db2.gz IIIXVFBOIPYAJK-SFHVURJKSA-N 2 2 284.403 3.076 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658286161 419731644 /nfs/dbraw/zinc/73/16/44/419731644.db2.gz POVOFMSGUXPJOQ-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658286161 419731651 /nfs/dbraw/zinc/73/16/51/419731651.db2.gz POVOFMSGUXPJOQ-ARFHVFGLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292162 419740972 /nfs/dbraw/zinc/74/09/72/419740972.db2.gz PBLGOGNXFPSFEK-YQQAZPJKSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](CCNc1[nH+]ccc2ccc(F)cc21)[NH+](C)C ZINC000664244599 419865844 /nfs/dbraw/zinc/86/58/44/419865844.db2.gz SAKNJWFCUCAHKM-LLVKDONJSA-N 2 2 261.344 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391142979 262383315 /nfs/dbraw/zinc/38/33/15/262383315.db2.gz DGXJRHNHZUMJIR-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391142979 262383316 /nfs/dbraw/zinc/38/33/16/262383316.db2.gz DGXJRHNHZUMJIR-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP CSc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000272909254 263009913 /nfs/dbraw/zinc/00/99/13/263009913.db2.gz LNLPCBCWOYIXMN-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP CSc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272909254 263009914 /nfs/dbraw/zinc/00/99/14/263009914.db2.gz LNLPCBCWOYIXMN-UHFFFAOYSA-N 2 2 275.421 3.127 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000393646550 264821119 /nfs/dbraw/zinc/82/11/19/264821119.db2.gz QHPXBNLSLXRVIL-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000393646550 264821123 /nfs/dbraw/zinc/82/11/23/264821123.db2.gz QHPXBNLSLXRVIL-PVAVHDDUSA-N 2 2 272.436 3.428 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094514 270038315 /nfs/dbraw/zinc/03/83/15/270038315.db2.gz KCPUIMNYJLTSTN-OAHLLOKOSA-N 2 2 287.407 3.413 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccs1 ZINC000217629646 270085261 /nfs/dbraw/zinc/08/52/61/270085261.db2.gz BONFOSHIBYTLGY-IHRRRGAJSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccs1 ZINC000217629646 270085262 /nfs/dbraw/zinc/08/52/62/270085262.db2.gz BONFOSHIBYTLGY-IHRRRGAJSA-N 2 2 264.438 3.416 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219813674 270085835 /nfs/dbraw/zinc/08/58/35/270085835.db2.gz WIRUPTMYWKGJER-DOTOQJQBSA-N 2 2 272.436 3.168 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219813674 270085836 /nfs/dbraw/zinc/08/58/36/270085836.db2.gz WIRUPTMYWKGJER-DOTOQJQBSA-N 2 2 272.436 3.168 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](c1ccccc1)C(C)C)C1CC1 ZINC000223062960 270086037 /nfs/dbraw/zinc/08/60/37/270086037.db2.gz MCXBCDQHCROZMP-QGZVFWFLSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](c1ccccc1)C(C)C)C1CC1 ZINC000223062960 270086038 /nfs/dbraw/zinc/08/60/38/270086038.db2.gz MCXBCDQHCROZMP-QGZVFWFLSA-N 2 2 260.425 3.458 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC1)Cc1ccccc1 ZINC000236903801 270089537 /nfs/dbraw/zinc/08/95/37/270089537.db2.gz FDGKYJRYCRDDIJ-QAPCUYQASA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250230294 270091261 /nfs/dbraw/zinc/09/12/61/270091261.db2.gz GBRXIIMEJOSFGZ-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250230294 270091262 /nfs/dbraw/zinc/09/12/62/270091262.db2.gz GBRXIIMEJOSFGZ-DOTOQJQBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915581 270094565 /nfs/dbraw/zinc/09/45/65/270094565.db2.gz SYMJVYQEQDHVFP-JLSDUUJJSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000323915581 270094566 /nfs/dbraw/zinc/09/45/66/270094566.db2.gz SYMJVYQEQDHVFP-JLSDUUJJSA-N 2 2 272.436 3.428 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000524771432 270115114 /nfs/dbraw/zinc/11/51/14/270115114.db2.gz MSTXNMSQNABYDP-DLEKYWELSA-N 2 2 258.409 3.021 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000524771432 270115115 /nfs/dbraw/zinc/11/51/15/270115115.db2.gz MSTXNMSQNABYDP-DLEKYWELSA-N 2 2 258.409 3.021 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000526106557 270123031 /nfs/dbraw/zinc/12/30/31/270123031.db2.gz NWZZBXZZDONGJQ-BHIYHBOVSA-N 2 2 286.463 3.428 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000526106557 270123032 /nfs/dbraw/zinc/12/30/32/270123032.db2.gz NWZZBXZZDONGJQ-BHIYHBOVSA-N 2 2 286.463 3.428 20 0 CGADLP CC1(C)CC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000527099891 270124986 /nfs/dbraw/zinc/12/49/86/270124986.db2.gz CUZPEFDPJHZYPL-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000527355015 270127320 /nfs/dbraw/zinc/12/73/20/270127320.db2.gz AOGFIKYJRABARE-UONOGXRCSA-N 2 2 280.843 3.375 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC000527355015 270127321 /nfs/dbraw/zinc/12/73/21/270127321.db2.gz AOGFIKYJRABARE-UONOGXRCSA-N 2 2 280.843 3.375 20 0 CGADLP CC1(C)CC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000527351952 270127396 /nfs/dbraw/zinc/12/73/96/270127396.db2.gz OAFDYSCQNXHBGN-UHFFFAOYSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527751203 270134462 /nfs/dbraw/zinc/13/44/62/270134462.db2.gz TTYINDBNSIDKBY-YJBOKZPZSA-N 2 2 270.420 3.378 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527751203 270134463 /nfs/dbraw/zinc/13/44/63/270134463.db2.gz TTYINDBNSIDKBY-YJBOKZPZSA-N 2 2 270.420 3.378 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527844028 270139279 /nfs/dbraw/zinc/13/92/79/270139279.db2.gz GXQCVOWASZNORO-IMJJTQAJSA-N 2 2 258.409 3.068 20 0 CGADLP CN(C[C@H]1CCC[N@H+](C)C1)c1[nH+]ccc2ccccc21 ZINC000527891210 270142236 /nfs/dbraw/zinc/14/22/36/270142236.db2.gz AJCFHFYYGRMAAM-AWEZNQCLSA-N 2 2 269.392 3.013 20 0 CGADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2ccccc21 ZINC000527891210 270142237 /nfs/dbraw/zinc/14/22/37/270142237.db2.gz AJCFHFYYGRMAAM-AWEZNQCLSA-N 2 2 269.392 3.013 20 0 CGADLP Cc1cccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)C(C)C)c1 ZINC000527919059 270143740 /nfs/dbraw/zinc/14/37/40/270143740.db2.gz YPXOBPCFHQSAGU-KRWDZBQOSA-N 2 2 271.408 3.258 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000527931725 270145148 /nfs/dbraw/zinc/14/51/48/270145148.db2.gz WHGLIWVYFZDAGV-FGTMMUONSA-N 2 2 299.462 3.072 20 0 CGADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951969 270146500 /nfs/dbraw/zinc/14/65/00/270146500.db2.gz SEYFQPFAZWFLCU-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951969 270146501 /nfs/dbraw/zinc/14/65/01/270146501.db2.gz SEYFQPFAZWFLCU-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCC1 ZINC000527948408 270146627 /nfs/dbraw/zinc/14/66/27/270146627.db2.gz LFBFXAMUWNEOFU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCC1 ZINC000527948408 270146628 /nfs/dbraw/zinc/14/66/28/270146628.db2.gz LFBFXAMUWNEOFU-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954428 270146679 /nfs/dbraw/zinc/14/66/79/270146679.db2.gz ZNZAIUXDUWOKKK-WMLDXEAASA-N 2 2 288.435 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954428 270146680 /nfs/dbraw/zinc/14/66/80/270146680.db2.gz ZNZAIUXDUWOKKK-WMLDXEAASA-N 2 2 288.435 3.450 20 0 CGADLP c1ccc(N2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)[nH+]c1 ZINC000527985913 270148590 /nfs/dbraw/zinc/14/85/90/270148590.db2.gz NTXIVOYNKZOELC-INIZCTEOSA-N 2 2 285.435 3.386 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006985 270150932 /nfs/dbraw/zinc/15/09/32/270150932.db2.gz AMRFVWWHFASEKW-ZBFHGGJFSA-N 2 2 288.435 3.363 20 0 CGADLP COCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000528575635 270168171 /nfs/dbraw/zinc/16/81/71/270168171.db2.gz BDDPMUQORMBTNY-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224157 270196478 /nfs/dbraw/zinc/19/64/78/270196478.db2.gz UZSMESNGWNSXTD-WBVHZDCISA-N 2 2 286.419 3.083 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530214814 270195786 /nfs/dbraw/zinc/19/57/86/270195786.db2.gz CYPNJHKOLPFCJI-ZIAGYGMSSA-N 2 2 264.438 3.464 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530217791 270196031 /nfs/dbraw/zinc/19/60/31/270196031.db2.gz HXJWLBUBJUMUHP-BXUZGUMPSA-N 2 2 296.361 3.223 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530226288 270196787 /nfs/dbraw/zinc/19/67/87/270196787.db2.gz ZLOKJFAVZUTHJW-DZGCQCFKSA-N 2 2 274.408 3.167 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530243850 270197227 /nfs/dbraw/zinc/19/72/27/270197227.db2.gz HYMNUHCUIWDVLZ-AWEZNQCLSA-N 2 2 298.352 3.388 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530243941 270197395 /nfs/dbraw/zinc/19/73/95/270197395.db2.gz IWZDUKUCYBBMBW-SNVBAGLBSA-N 2 2 290.354 3.141 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCOc3ccccc32)c[nH+]1 ZINC000531683988 270208485 /nfs/dbraw/zinc/20/84/85/270208485.db2.gz YTSZXMZKGSZXPS-INIZCTEOSA-N 2 2 285.391 3.167 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531735320 270209106 /nfs/dbraw/zinc/20/91/06/270209106.db2.gz ZFVHBXRCJIHXLT-NIKGAXFTSA-N 2 2 284.447 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531735320 270209107 /nfs/dbraw/zinc/20/91/07/270209107.db2.gz ZFVHBXRCJIHXLT-NIKGAXFTSA-N 2 2 284.447 3.080 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000531956586 270211385 /nfs/dbraw/zinc/21/13/85/270211385.db2.gz XYFOQIDMPVHBDL-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000531956586 270211386 /nfs/dbraw/zinc/21/13/86/270211386.db2.gz XYFOQIDMPVHBDL-QGZVFWFLSA-N 2 2 260.425 3.143 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000531983581 270212450 /nfs/dbraw/zinc/21/24/50/270212450.db2.gz VTPKKLKFKVIINP-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1C ZINC000531983581 270212451 /nfs/dbraw/zinc/21/24/51/270212451.db2.gz VTPKKLKFKVIINP-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000532213821 270214379 /nfs/dbraw/zinc/21/43/79/270214379.db2.gz KROCMTBXENUYAI-DGCLKSJQSA-N 2 2 294.826 3.236 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000532213821 270214380 /nfs/dbraw/zinc/21/43/80/270214380.db2.gz KROCMTBXENUYAI-DGCLKSJQSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000532530759 270217265 /nfs/dbraw/zinc/21/72/65/270217265.db2.gz OGCAWZNSVRETDA-GXTWGEPZSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000532530759 270217266 /nfs/dbraw/zinc/21/72/66/270217266.db2.gz OGCAWZNSVRETDA-GXTWGEPZSA-N 2 2 264.438 3.057 20 0 CGADLP Cc1cccc(NCCNc2[nH+]c3ccccc3cc2C)[nH+]1 ZINC000532626312 270218037 /nfs/dbraw/zinc/21/80/37/270218037.db2.gz SUPBQVCYRIBKSN-UHFFFAOYSA-N 2 2 292.386 3.193 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000236072363 287651293 /nfs/dbraw/zinc/65/12/93/287651293.db2.gz QQGGEYVZCVXKKB-YPMHNXCESA-N 2 2 282.840 3.219 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233512 273549862 /nfs/dbraw/zinc/54/98/62/273549862.db2.gz JZFRZGLJURTBKO-RRQGHBQHSA-N 2 2 258.409 3.213 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000094304399 273580749 /nfs/dbraw/zinc/58/07/49/273580749.db2.gz KXIXXVRNHAQXSL-OAHLLOKOSA-N 2 2 273.424 3.219 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000480914434 287710809 /nfs/dbraw/zinc/71/08/09/287710809.db2.gz QEUQKUVTHLKIEG-ZOBUZTSGSA-N 2 2 262.441 3.184 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347617455 274277522 /nfs/dbraw/zinc/27/75/22/274277522.db2.gz UFLIBUJZDNHWQY-ZDUSSCGKSA-N 2 2 289.448 3.398 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347617455 274277526 /nfs/dbraw/zinc/27/75/26/274277526.db2.gz UFLIBUJZDNHWQY-ZDUSSCGKSA-N 2 2 289.448 3.398 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[N@@H+]1C ZINC000449174402 274393690 /nfs/dbraw/zinc/39/36/90/274393690.db2.gz PKIQIMACSGJCRI-SUZMYJTESA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[N@H+]1C ZINC000449174402 274393691 /nfs/dbraw/zinc/39/36/91/274393691.db2.gz PKIQIMACSGJCRI-SUZMYJTESA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232699 274415927 /nfs/dbraw/zinc/41/59/27/274415927.db2.gz COVPLPULLIIEBP-BVGQSLNGSA-N 2 2 266.388 3.210 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000422844271 274521904 /nfs/dbraw/zinc/52/19/04/274521904.db2.gz LJFAHCGHNKCASM-NILFDRSVSA-N 2 2 294.439 3.483 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000346275465 275072663 /nfs/dbraw/zinc/07/26/63/275072663.db2.gz KEVNWGQQVWWJLH-IBGZPJMESA-N 2 2 295.430 3.253 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000346275465 275072664 /nfs/dbraw/zinc/07/26/64/275072664.db2.gz KEVNWGQQVWWJLH-IBGZPJMESA-N 2 2 295.430 3.253 20 0 CGADLP CC(C)[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000367959004 276016565 /nfs/dbraw/zinc/01/65/65/276016565.db2.gz FNSZPKXVDHOBMB-KRWDZBQOSA-N 2 2 269.392 3.139 20 0 CGADLP CC(C)[C@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000367959004 276016566 /nfs/dbraw/zinc/01/65/66/276016566.db2.gz FNSZPKXVDHOBMB-KRWDZBQOSA-N 2 2 269.392 3.139 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344034863 276174877 /nfs/dbraw/zinc/17/48/77/276174877.db2.gz PGOHMEBVKGSNQF-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344034863 276174878 /nfs/dbraw/zinc/17/48/78/276174878.db2.gz PGOHMEBVKGSNQF-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CCC(CC)[C@@H](CC[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000354288461 276211979 /nfs/dbraw/zinc/21/19/79/276211979.db2.gz DREDVJGFFIYIBL-MRXNPFEDSA-N 2 2 289.423 3.265 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423383559 276270854 /nfs/dbraw/zinc/27/08/54/276270854.db2.gz PKZXHHKMWQQBNI-HWWQOWPSSA-N 2 2 264.388 3.037 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000484302673 276284382 /nfs/dbraw/zinc/28/43/82/276284382.db2.gz QNVUMFQYOZFFDY-FQLMCAECSA-N 2 2 252.446 3.416 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000484302673 276284383 /nfs/dbraw/zinc/28/43/83/276284383.db2.gz QNVUMFQYOZFFDY-FQLMCAECSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000255957159 287885109 /nfs/dbraw/zinc/88/51/09/287885109.db2.gz ICVUNXGLGBFGRC-NXHRZFHOSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163381344 276369471 /nfs/dbraw/zinc/36/94/71/276369471.db2.gz XKQLMEGQACQDCL-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163381344 276369472 /nfs/dbraw/zinc/36/94/72/276369472.db2.gz XKQLMEGQACQDCL-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000020094168 276826625 /nfs/dbraw/zinc/82/66/25/276826625.db2.gz LCPBCEAZXJJQKH-RDJZCZTQSA-N 2 2 258.409 3.235 20 0 CGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000181395628 277303182 /nfs/dbraw/zinc/30/31/82/277303182.db2.gz CRPLSZAEAHXWBE-OAGGEKHMSA-N 2 2 294.483 3.044 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152767412 278061512 /nfs/dbraw/zinc/06/15/12/278061512.db2.gz UURVGBSSCADVQD-AWEZNQCLSA-N 2 2 299.418 3.121 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000376536164 278099893 /nfs/dbraw/zinc/09/98/93/278099893.db2.gz WZLGYTZFDUVVFO-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000376536164 278099894 /nfs/dbraw/zinc/09/98/94/278099894.db2.gz WZLGYTZFDUVVFO-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415086702 278209652 /nfs/dbraw/zinc/20/96/52/278209652.db2.gz SNLRNFCMQKDUIA-NXEZZACHSA-N 2 2 273.207 3.048 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423371642 278222518 /nfs/dbraw/zinc/22/25/18/278222518.db2.gz AOWUKCXNRMUWFX-NVXWUHKLSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000447577112 278225047 /nfs/dbraw/zinc/22/50/47/278225047.db2.gz FQUHUWDVMIWYOL-GRDNDAEWSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000447577112 278225048 /nfs/dbraw/zinc/22/50/48/278225048.db2.gz FQUHUWDVMIWYOL-GRDNDAEWSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397634789 288025688 /nfs/dbraw/zinc/02/56/88/288025688.db2.gz WRHCXRYSIFCKEU-XIRDDKMYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397634789 288025690 /nfs/dbraw/zinc/02/56/90/288025690.db2.gz WRHCXRYSIFCKEU-XIRDDKMYSA-N 2 2 272.436 3.285 20 0 CGADLP CC1CC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397966382 288036715 /nfs/dbraw/zinc/03/67/15/288036715.db2.gz XXSQYNTUAYIDIH-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP CC1CC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397966382 288036716 /nfs/dbraw/zinc/03/67/16/288036716.db2.gz XXSQYNTUAYIDIH-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000397783778 288030503 /nfs/dbraw/zinc/03/05/03/288030503.db2.gz ABRZKLPYIZRCMP-OAHLLOKOSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042318 278312634 /nfs/dbraw/zinc/31/26/34/278312634.db2.gz APFGGPGXYZHEQF-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042318 278312635 /nfs/dbraw/zinc/31/26/35/278312635.db2.gz APFGGPGXYZHEQF-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042318 278312636 /nfs/dbraw/zinc/31/26/36/278312636.db2.gz APFGGPGXYZHEQF-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292042318 278312637 /nfs/dbraw/zinc/31/26/37/278312637.db2.gz APFGGPGXYZHEQF-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP CC(C)C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398007345 288037179 /nfs/dbraw/zinc/03/71/79/288037179.db2.gz WTCMANYDLHBXDJ-INIZCTEOSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(F)c1 ZINC000166411784 288045437 /nfs/dbraw/zinc/04/54/37/288045437.db2.gz WKAIRWKJEHCPHP-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(F)c1 ZINC000166411784 288045438 /nfs/dbraw/zinc/04/54/38/288045438.db2.gz WKAIRWKJEHCPHP-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000471595585 288060293 /nfs/dbraw/zinc/06/02/93/288060293.db2.gz UQRGZZQWHNFUNC-JQFCIGGWSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423315445 278692986 /nfs/dbraw/zinc/69/29/86/278692986.db2.gz ATKDYQGEYLMWHI-AWEZNQCLSA-N 2 2 294.826 3.333 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000349377112 288079817 /nfs/dbraw/zinc/07/98/17/288079817.db2.gz IDLORWYPQDQZEI-NRSFXHEJSA-N 2 2 290.451 3.083 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166331734 279014913 /nfs/dbraw/zinc/01/49/13/279014913.db2.gz BUWGOTSQMJSTNK-IPTNHLRFSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166331734 279014914 /nfs/dbraw/zinc/01/49/14/279014914.db2.gz BUWGOTSQMJSTNK-IPTNHLRFSA-N 2 2 288.410 3.274 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CC[NH3+] ZINC000263066524 279061978 /nfs/dbraw/zinc/06/19/78/279061978.db2.gz WAJQXFSQTPBAIB-CYBMUJFWSA-N 2 2 289.448 3.378 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CC[NH3+] ZINC000263066524 279061981 /nfs/dbraw/zinc/06/19/81/279061981.db2.gz WAJQXFSQTPBAIB-CYBMUJFWSA-N 2 2 289.448 3.378 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423133748 279062057 /nfs/dbraw/zinc/06/20/57/279062057.db2.gz WFEBTPYIKQWQEB-ZEYHHNEASA-N 2 2 298.361 3.382 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCC[N@@H+]1C ZINC000346795236 279093699 /nfs/dbraw/zinc/09/36/99/279093699.db2.gz HWXIVEUTOBZZDE-DQYPLSBCSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCC[N@H+]1C ZINC000346795236 279093700 /nfs/dbraw/zinc/09/37/00/279093700.db2.gz HWXIVEUTOBZZDE-DQYPLSBCSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CCC[N@@H+]1C ZINC000349701377 279126049 /nfs/dbraw/zinc/12/60/49/279126049.db2.gz WTVZBENZVBHTRQ-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)CCC[N@H+]1C ZINC000349701377 279126052 /nfs/dbraw/zinc/12/60/52/279126052.db2.gz WTVZBENZVBHTRQ-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccccc32)CCC[N@@H+]1C ZINC000342718795 279126112 /nfs/dbraw/zinc/12/61/12/279126112.db2.gz RDZXZVIHSFAEAJ-KBRIMQKVSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccccc32)CCC[N@H+]1C ZINC000342718795 279126115 /nfs/dbraw/zinc/12/61/15/279126115.db2.gz RDZXZVIHSFAEAJ-KBRIMQKVSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494524817 279251977 /nfs/dbraw/zinc/25/19/77/279251977.db2.gz FQUHUWDVMIWYOL-JJRVBVJISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494524817 279251978 /nfs/dbraw/zinc/25/19/78/279251978.db2.gz FQUHUWDVMIWYOL-JJRVBVJISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000510990639 279272235 /nfs/dbraw/zinc/27/22/35/279272235.db2.gz DBHXAUKJIBHGQP-PBFPGSCMSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000510990639 279272237 /nfs/dbraw/zinc/27/22/37/279272237.db2.gz DBHXAUKJIBHGQP-PBFPGSCMSA-N 2 2 296.405 3.358 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075274 279335876 /nfs/dbraw/zinc/33/58/76/279335876.db2.gz YFLBCXQRIFAJAG-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075274 279335878 /nfs/dbraw/zinc/33/58/78/279335878.db2.gz YFLBCXQRIFAJAG-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449088916 279384694 /nfs/dbraw/zinc/38/46/94/279384694.db2.gz JCJCYCQYLOLFCD-CXAGYDPISA-N 2 2 286.419 3.294 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000521847388 288140434 /nfs/dbraw/zinc/14/04/34/288140434.db2.gz XZAGJJKXIXILCO-ROUUACIJSA-N 2 2 272.436 3.248 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000527669401 288186829 /nfs/dbraw/zinc/18/68/29/288186829.db2.gz GKIMERPEXUNXLH-RYUDHWBXSA-N 2 2 274.399 3.273 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000527669401 288186831 /nfs/dbraw/zinc/18/68/31/288186831.db2.gz GKIMERPEXUNXLH-RYUDHWBXSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@@H]3CC=CCC3)n2c1 ZINC000527789820 288194809 /nfs/dbraw/zinc/19/48/09/288194809.db2.gz OLHMJUJHTQMCRQ-OAHLLOKOSA-N 2 2 269.392 3.479 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+]1CCC(C)CC1 ZINC000529539164 288260573 /nfs/dbraw/zinc/26/05/73/288260573.db2.gz TXAKCWQOBYJWDF-STQMWFEESA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)[C@@H](C)C2 ZINC000348186120 281126197 /nfs/dbraw/zinc/12/61/97/281126197.db2.gz LYTFYLQXUZYVPP-DHSIGJKJSA-N 2 2 281.403 3.029 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)oc2cc1C ZINC000530177850 288295492 /nfs/dbraw/zinc/29/54/92/288295492.db2.gz ITRAEVRSGYRGTG-KRWDZBQOSA-N 2 2 284.403 3.424 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000531704373 288341343 /nfs/dbraw/zinc/34/13/43/288341343.db2.gz MKPFNIUFLFOKCU-MRXNPFEDSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000531704373 288341345 /nfs/dbraw/zinc/34/13/45/288341345.db2.gz MKPFNIUFLFOKCU-MRXNPFEDSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707208 288341817 /nfs/dbraw/zinc/34/18/17/288341817.db2.gz DOOXBUOSVDVUPB-XJKSGUPXSA-N 2 2 292.854 3.301 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000531707208 288341819 /nfs/dbraw/zinc/34/18/19/288341819.db2.gz DOOXBUOSVDVUPB-XJKSGUPXSA-N 2 2 292.854 3.301 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000532197464 288354722 /nfs/dbraw/zinc/35/47/22/288354722.db2.gz QJRWOEFPFVYBLD-RHSMWYFYSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000532197464 288354724 /nfs/dbraw/zinc/35/47/24/288354724.db2.gz QJRWOEFPFVYBLD-RHSMWYFYSA-N 2 2 260.425 3.211 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239679 288357231 /nfs/dbraw/zinc/35/72/31/288357231.db2.gz WAZIPGGECDPVPA-IRXDYDNUSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239679 288357233 /nfs/dbraw/zinc/35/72/33/288357233.db2.gz WAZIPGGECDPVPA-IRXDYDNUSA-N 2 2 274.452 3.248 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C)cc1 ZINC000532239319 288357471 /nfs/dbraw/zinc/35/74/71/288357471.db2.gz SVBSLWGUXVGLNY-DOTOQJQBSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C)cc1 ZINC000532239319 288357474 /nfs/dbraw/zinc/35/74/74/288357474.db2.gz SVBSLWGUXVGLNY-DOTOQJQBSA-N 2 2 260.425 3.378 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464489 288362798 /nfs/dbraw/zinc/36/27/98/288362798.db2.gz VVZLHCIVICXOJW-BBRMVZONSA-N 2 2 260.425 3.024 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464489 288362800 /nfs/dbraw/zinc/36/28/00/288362800.db2.gz VVZLHCIVICXOJW-BBRMVZONSA-N 2 2 260.425 3.024 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000532467183 288363106 /nfs/dbraw/zinc/36/31/06/288363106.db2.gz NEKZYKXLPGPAHH-KRWDZBQOSA-N 2 2 299.418 3.167 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000533122894 288375244 /nfs/dbraw/zinc/37/52/44/288375244.db2.gz NKMXNOIYBJYMEN-HNNXBMFYSA-N 2 2 291.345 3.219 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146627 289036501 /nfs/dbraw/zinc/03/65/01/289036501.db2.gz VNRMQZHOHMBPCH-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146627 289036503 /nfs/dbraw/zinc/03/65/03/289036503.db2.gz VNRMQZHOHMBPCH-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241022 289104345 /nfs/dbraw/zinc/10/43/45/289104345.db2.gz GAPNBDSIEABRLW-QZHFEQFPSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241022 289104346 /nfs/dbraw/zinc/10/43/46/289104346.db2.gz GAPNBDSIEABRLW-QZHFEQFPSA-N 2 2 284.447 3.253 20 0 CGADLP CC(C)[NH+](CCN[C@H](C)c1cn2ccccc2[nH+]1)C(C)C ZINC000551267195 289106521 /nfs/dbraw/zinc/10/65/21/289106521.db2.gz OEQUDTPIIBPLHH-OAHLLOKOSA-N 2 2 288.439 3.104 20 0 CGADLP CC(C)c1ncc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000551271174 289107023 /nfs/dbraw/zinc/10/70/23/289107023.db2.gz KEAZDEFPCVIXFA-UHFFFAOYSA-N 2 2 290.436 3.089 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587756 289124645 /nfs/dbraw/zinc/12/46/45/289124645.db2.gz JPAVVQRBSIEUSF-YPMHNXCESA-N 2 2 286.872 3.264 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587756 289124646 /nfs/dbraw/zinc/12/46/46/289124646.db2.gz JPAVVQRBSIEUSF-YPMHNXCESA-N 2 2 286.872 3.264 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000551788236 289132134 /nfs/dbraw/zinc/13/21/34/289132134.db2.gz ACZBGKCEPJYXBX-HNAYVOBHSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000551788236 289132135 /nfs/dbraw/zinc/13/21/35/289132135.db2.gz ACZBGKCEPJYXBX-HNAYVOBHSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551816663 289135348 /nfs/dbraw/zinc/13/53/48/289135348.db2.gz CVSLTULIGUXFLJ-GFCCVEGCSA-N 2 2 275.421 3.440 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000552083833 289161127 /nfs/dbraw/zinc/16/11/27/289161127.db2.gz ZQBMNNVPJHUFJX-DQPZFDDXSA-N 2 2 258.409 3.491 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)[NH+](C)C ZINC000552226244 289173210 /nfs/dbraw/zinc/17/32/10/289173210.db2.gz ZTGNGGLYRDHFNM-LBPRGKRZSA-N 2 2 284.394 3.216 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000554089801 289257283 /nfs/dbraw/zinc/25/72/83/289257283.db2.gz WXDVOHOMMRSCMI-KBPBESRZSA-N 2 2 286.419 3.449 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000556244569 289380910 /nfs/dbraw/zinc/38/09/10/289380910.db2.gz DIVJKAFXSBJTMT-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000556244569 289380913 /nfs/dbraw/zinc/38/09/13/289380913.db2.gz DIVJKAFXSBJTMT-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP Fc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000556379449 289388883 /nfs/dbraw/zinc/38/88/83/289388883.db2.gz KQXXZAUKBNXJJO-UHFFFAOYSA-N 2 2 285.366 3.297 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000556413688 289390783 /nfs/dbraw/zinc/39/07/83/289390783.db2.gz QAXODUFHOKXWQB-RDBSUJKOSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562017061 289667790 /nfs/dbraw/zinc/66/77/90/289667790.db2.gz RPBMIAISYAGGLR-HZPDHXFCSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247991451 290233624 /nfs/dbraw/zinc/23/36/24/290233624.db2.gz JLWFOBCYEHOGFF-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247991451 290233628 /nfs/dbraw/zinc/23/36/28/290233628.db2.gz JLWFOBCYEHOGFF-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247991451 290233631 /nfs/dbraw/zinc/23/36/31/290233631.db2.gz JLWFOBCYEHOGFF-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247991451 290233634 /nfs/dbraw/zinc/23/36/34/290233634.db2.gz JLWFOBCYEHOGFF-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000488366490 297304253 /nfs/dbraw/zinc/30/42/53/297304253.db2.gz LLWUOGKUWKAMPT-OIISXLGYSA-N 2 2 258.409 3.069 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423272932 528518709 /nfs/dbraw/zinc/51/87/09/528518709.db2.gz ZRNOAGPHMQGBCB-GXSJLCMTSA-N 2 2 260.834 3.426 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1)[NH+](C)C ZINC000443009816 302208873 /nfs/dbraw/zinc/20/88/73/302208873.db2.gz LFOVWOVHWGHTAI-OVWQWFNUSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423548602 302565406 /nfs/dbraw/zinc/56/54/06/302565406.db2.gz GWLFDJVJBBAWIO-WCQYABFASA-N 2 2 281.469 3.368 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038118 303130635 /nfs/dbraw/zinc/13/06/35/303130635.db2.gz XXCLSQXPJYEONC-GUYCJALGSA-N 2 2 294.389 3.491 20 0 CGADLP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038118 303130637 /nfs/dbraw/zinc/13/06/37/303130637.db2.gz XXCLSQXPJYEONC-GUYCJALGSA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153958941 321731503 /nfs/dbraw/zinc/73/15/03/321731503.db2.gz BDBOWSDMZKPIRY-HOTGVXAUSA-N 2 2 290.451 3.275 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000564823791 322044920 /nfs/dbraw/zinc/04/49/20/322044920.db2.gz KIUOEUBIGVJNNL-VUCTXSBTSA-N 2 2 284.407 3.259 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000564893278 322048282 /nfs/dbraw/zinc/04/82/82/322048282.db2.gz KTPLDMVTTSOQBY-UONOGXRCSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000564893278 322048284 /nfs/dbraw/zinc/04/82/84/322048284.db2.gz KTPLDMVTTSOQBY-UONOGXRCSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000565888699 322095293 /nfs/dbraw/zinc/09/52/93/322095293.db2.gz AEMWIYKRNXKEMG-CYBMUJFWSA-N 2 2 274.330 3.499 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565904387 322096152 /nfs/dbraw/zinc/09/61/52/322096152.db2.gz NKZOUKDRCOWFMD-RHSMWYFYSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565904387 322096154 /nfs/dbraw/zinc/09/61/54/322096154.db2.gz NKZOUKDRCOWFMD-RHSMWYFYSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1cc[nH+]cc1CCCN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000568327417 322205092 /nfs/dbraw/zinc/20/50/92/322205092.db2.gz ZODOMSYVWLUBCZ-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCCN1CCC[N@H+](C(C)(C)C)CC1 ZINC000568327417 322205094 /nfs/dbraw/zinc/20/50/94/322205094.db2.gz ZODOMSYVWLUBCZ-UHFFFAOYSA-N 2 2 289.467 3.129 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000569009195 322231369 /nfs/dbraw/zinc/23/13/69/322231369.db2.gz YQPBFCOWYKSJQN-OAHLLOKOSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000569009195 322231372 /nfs/dbraw/zinc/23/13/72/322231372.db2.gz YQPBFCOWYKSJQN-OAHLLOKOSA-N 2 2 299.418 3.353 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000569259887 322241701 /nfs/dbraw/zinc/24/17/01/322241701.db2.gz JXDFGGGWKOLTFS-KGLIPLIRSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000569259887 322241704 /nfs/dbraw/zinc/24/17/04/322241704.db2.gz JXDFGGGWKOLTFS-KGLIPLIRSA-N 2 2 250.430 3.029 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000569583061 322251277 /nfs/dbraw/zinc/25/12/77/322251277.db2.gz HTDFYCJOJRJMQF-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000569788687 322257101 /nfs/dbraw/zinc/25/71/01/322257101.db2.gz WQLFLTXJMKBXMH-CQSZACIVSA-N 2 2 293.480 3.275 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC000569788687 322257103 /nfs/dbraw/zinc/25/71/03/322257103.db2.gz WQLFLTXJMKBXMH-CQSZACIVSA-N 2 2 293.480 3.275 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)n1C ZINC000569941685 322261531 /nfs/dbraw/zinc/26/15/31/322261531.db2.gz NBCLDWXERZEWFW-QGZVFWFLSA-N 2 2 269.392 3.278 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000570271971 322269455 /nfs/dbraw/zinc/26/94/55/322269455.db2.gz YKTSNQNVBLKSNV-BBRMVZONSA-N 2 2 260.425 3.288 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166491 322323087 /nfs/dbraw/zinc/32/30/87/322323087.db2.gz DFZQQOOUUCALIQ-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166491 322323090 /nfs/dbraw/zinc/32/30/90/322323090.db2.gz DFZQQOOUUCALIQ-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccsc2Cl)C1 ZINC000572166491 322323093 /nfs/dbraw/zinc/32/30/93/322323093.db2.gz DFZQQOOUUCALIQ-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccsc2Cl)C1 ZINC000572166491 322323096 /nfs/dbraw/zinc/32/30/96/322323096.db2.gz DFZQQOOUUCALIQ-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572539215 322342347 /nfs/dbraw/zinc/34/23/47/322342347.db2.gz YZHXOQZUJTUTRY-RDJZCZTQSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572539215 322342349 /nfs/dbraw/zinc/34/23/49/322342349.db2.gz YZHXOQZUJTUTRY-RDJZCZTQSA-N 2 2 283.419 3.231 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000573391599 322386139 /nfs/dbraw/zinc/38/61/39/322386139.db2.gz QXIOWOLUMCWDEG-OAGGEKHMSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000583363845 327322228 /nfs/dbraw/zinc/32/22/28/327322228.db2.gz YTCTUBKZFGKFQD-MRXNPFEDSA-N 2 2 286.423 3.059 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582965013 329292833 /nfs/dbraw/zinc/29/28/33/329292833.db2.gz VTNBPSOTRDTVHI-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582965013 329292834 /nfs/dbraw/zinc/29/28/34/329292834.db2.gz VTNBPSOTRDTVHI-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582964995 329292853 /nfs/dbraw/zinc/29/28/53/329292853.db2.gz VTNBPSOTRDTVHI-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582964995 329292854 /nfs/dbraw/zinc/29/28/54/329292854.db2.gz VTNBPSOTRDTVHI-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000576148068 335160398 /nfs/dbraw/zinc/16/03/98/335160398.db2.gz ZVDZUFKVAPCKJQ-MKQDKFQKSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000576148068 335160399 /nfs/dbraw/zinc/16/03/99/335160399.db2.gz ZVDZUFKVAPCKJQ-MKQDKFQKSA-N 2 2 294.389 3.142 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670043 335233039 /nfs/dbraw/zinc/23/30/39/335233039.db2.gz MOGBKLYOOLPRLX-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccnc3ccccc23)C1 ZINC000576670043 335233040 /nfs/dbraw/zinc/23/30/40/335233040.db2.gz MOGBKLYOOLPRLX-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670043 335233041 /nfs/dbraw/zinc/23/30/41/335233041.db2.gz MOGBKLYOOLPRLX-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000576670043 335233042 /nfs/dbraw/zinc/23/30/42/335233042.db2.gz MOGBKLYOOLPRLX-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)n1C ZINC000580572405 335286088 /nfs/dbraw/zinc/28/60/88/335286088.db2.gz UYRDGNIDWQFLPK-RYUDHWBXSA-N 2 2 289.345 3.187 20 0 CGADLP c1[nH+]c2c(n1CCCCn1c[nH+]c3c1CCCC3)CCCC2 ZINC000578310863 335599208 /nfs/dbraw/zinc/59/92/08/335599208.db2.gz VLHTUKGRBDKNHS-UHFFFAOYSA-N 2 2 298.434 3.318 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2c3ccccc3O[C@H]2C)c[nH+]1 ZINC000581158963 336016756 /nfs/dbraw/zinc/01/67/56/336016756.db2.gz OHYHEZFFHKNLOW-KBXCAEBGSA-N 2 2 282.387 3.434 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581621323 336113947 /nfs/dbraw/zinc/11/39/47/336113947.db2.gz LTKXIFTZQAOPCR-ZBFHGGJFSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581621323 336113948 /nfs/dbraw/zinc/11/39/48/336113948.db2.gz LTKXIFTZQAOPCR-ZBFHGGJFSA-N 2 2 269.392 3.279 20 0 CGADLP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385420337 336146140 /nfs/dbraw/zinc/14/61/40/336146140.db2.gz AQELQRVVVXOHIR-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385420337 336146141 /nfs/dbraw/zinc/14/61/41/336146141.db2.gz AQELQRVVVXOHIR-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP CSCC1CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000385529929 336150639 /nfs/dbraw/zinc/15/06/39/336150639.db2.gz JSWYHDIGGUOAIV-UYSNPLJNSA-N 2 2 286.529 3.474 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386891739 336181904 /nfs/dbraw/zinc/18/19/04/336181904.db2.gz NPHKMHVHRAVHJY-DLBZAZTESA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386891739 336181905 /nfs/dbraw/zinc/18/19/05/336181905.db2.gz NPHKMHVHRAVHJY-DLBZAZTESA-N 2 2 260.425 3.287 20 0 CGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000050401291 521082994 /nfs/dbraw/zinc/08/29/94/521082994.db2.gz ASNVLMYZEIHFAT-DLBZAZTESA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000050401291 521083000 /nfs/dbraw/zinc/08/30/00/521083000.db2.gz ASNVLMYZEIHFAT-DLBZAZTESA-N 2 2 260.425 3.429 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368101457 533829842 /nfs/dbraw/zinc/82/98/42/533829842.db2.gz KJBPFISKTIWDLM-HOCLYGCPSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368101457 533829848 /nfs/dbraw/zinc/82/98/48/533829848.db2.gz KJBPFISKTIWDLM-HOCLYGCPSA-N 2 2 283.419 3.186 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000425332534 533985429 /nfs/dbraw/zinc/98/54/29/533985429.db2.gz BLOHVQXIHFHNSD-GOEBONIOSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102205 533987977 /nfs/dbraw/zinc/98/79/77/533987977.db2.gz NCEQFIAHSIRYLK-IUODEOHRSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102205 533987984 /nfs/dbraw/zinc/98/79/84/533987984.db2.gz NCEQFIAHSIRYLK-IUODEOHRSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102204 533988124 /nfs/dbraw/zinc/98/81/24/533988124.db2.gz NCEQFIAHSIRYLK-DOMZBBRYSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102204 533988129 /nfs/dbraw/zinc/98/81/29/533988129.db2.gz NCEQFIAHSIRYLK-DOMZBBRYSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000449221933 534150026 /nfs/dbraw/zinc/15/00/26/534150026.db2.gz UXLHGFHGZXUPBJ-FMKPAKJESA-N 2 2 271.408 3.291 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000365060905 534160036 /nfs/dbraw/zinc/16/00/36/534160036.db2.gz HOFHMAIUTHGNFJ-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000365060905 534160040 /nfs/dbraw/zinc/16/00/40/534160040.db2.gz HOFHMAIUTHGNFJ-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000359521686 534226415 /nfs/dbraw/zinc/22/64/15/534226415.db2.gz DPVLSVMKSCYPOT-WMZOPIPTSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000359521686 534226420 /nfs/dbraw/zinc/22/64/20/534226420.db2.gz DPVLSVMKSCYPOT-WMZOPIPTSA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000449059690 534247677 /nfs/dbraw/zinc/24/76/77/534247677.db2.gz BBRFJUIDHJZNLS-INIZCTEOSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103416 534266709 /nfs/dbraw/zinc/26/67/09/534266709.db2.gz QFHLHRHSKKEZDD-ZFWWWQNUSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103416 534266714 /nfs/dbraw/zinc/26/67/14/534266714.db2.gz QFHLHRHSKKEZDD-ZFWWWQNUSA-N 2 2 272.392 3.048 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359039672 534428023 /nfs/dbraw/zinc/42/80/23/534428023.db2.gz XATAKUXKPPUTSX-FHERZECASA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534094 534480810 /nfs/dbraw/zinc/48/08/10/534480810.db2.gz VCGADETYOHGMNS-VNQPRFMTSA-N 2 2 286.444 3.463 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC000411677111 534514391 /nfs/dbraw/zinc/51/43/91/534514391.db2.gz SFVYCATUKVODHU-UHFFFAOYSA-N 2 2 297.446 3.461 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2c1 ZINC000411677111 534514396 /nfs/dbraw/zinc/51/43/96/534514396.db2.gz SFVYCATUKVODHU-UHFFFAOYSA-N 2 2 297.446 3.461 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000278532508 520971960 /nfs/dbraw/zinc/97/19/60/520971960.db2.gz BSOAGNVMGIMRTJ-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000278532508 520971962 /nfs/dbraw/zinc/97/19/62/520971962.db2.gz BSOAGNVMGIMRTJ-HNNXBMFYSA-N 2 2 294.414 3.141 20 0 CGADLP CC[NH+]1CCC([N@H+](C)CCSc2ccccc2F)CC1 ZINC000157489174 521559910 /nfs/dbraw/zinc/55/99/10/521559910.db2.gz NALSKPNPYXDZCK-UHFFFAOYSA-N 2 2 296.455 3.334 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)CCSc2ccccc2F)CC1 ZINC000157489174 521559915 /nfs/dbraw/zinc/55/99/15/521559915.db2.gz NALSKPNPYXDZCK-UHFFFAOYSA-N 2 2 296.455 3.334 20 0 CGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424187122 534650827 /nfs/dbraw/zinc/65/08/27/534650827.db2.gz UYCBPVGRHOJCKT-INIZCTEOSA-N 2 2 290.838 3.447 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCc1cccc(C)c1 ZINC000449060415 534691130 /nfs/dbraw/zinc/69/11/30/534691130.db2.gz FQGXYUZZCXJPKO-UHFFFAOYSA-N 2 2 293.414 3.485 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000449048567 534711804 /nfs/dbraw/zinc/71/18/04/534711804.db2.gz PVVOGXCCFGVUTC-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000449048567 534711786 /nfs/dbraw/zinc/71/17/86/534711786.db2.gz PVVOGXCCFGVUTC-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccco1)[NH+]1CCCCC1 ZINC000184496398 524195648 /nfs/dbraw/zinc/19/56/48/524195648.db2.gz VLGNGFZAXKFHFG-ZIAGYGMSSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000094826869 525294066 /nfs/dbraw/zinc/29/40/66/525294066.db2.gz UHLCCWBEJFJHCF-NSHDSACASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000156491472 525537873 /nfs/dbraw/zinc/53/78/73/525537873.db2.gz UCFNDJDFJRCHQK-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1Cl ZINC000049553067 525597320 /nfs/dbraw/zinc/59/73/20/525597320.db2.gz WZELQQOMOXUQJR-NWDGAFQWSA-N 2 2 254.805 3.331 20 0 CGADLP CC(C)(C)OCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000354836314 526549910 /nfs/dbraw/zinc/54/99/10/526549910.db2.gz NFTVCRTTWOVLRQ-UHFFFAOYSA-N 2 2 279.428 3.115 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155756090 526967309 /nfs/dbraw/zinc/96/73/09/526967309.db2.gz SLEYVTLINACOKF-CYBMUJFWSA-N 2 2 296.201 3.467 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411365966 527734618 /nfs/dbraw/zinc/73/46/18/527734618.db2.gz ORFVXPBWVLSYFP-DLBZAZTESA-N 2 2 276.399 3.144 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028345 527755202 /nfs/dbraw/zinc/75/52/02/527755202.db2.gz LMAITTBQGDRAOP-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028345 527755215 /nfs/dbraw/zinc/75/52/15/527755215.db2.gz LMAITTBQGDRAOP-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028345 527755217 /nfs/dbraw/zinc/75/52/17/527755217.db2.gz LMAITTBQGDRAOP-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2OC)C[C@H]1C ZINC000449028345 527755227 /nfs/dbraw/zinc/75/52/27/527755227.db2.gz LMAITTBQGDRAOP-NVXWUHKLSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449336475 527828689 /nfs/dbraw/zinc/82/86/89/527828689.db2.gz NREJXZMZWYKPMJ-RBSFLKMASA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449336475 527828701 /nfs/dbraw/zinc/82/87/01/527828701.db2.gz NREJXZMZWYKPMJ-RBSFLKMASA-N 2 2 275.440 3.462 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2F)C1 ZINC000449037650 527848813 /nfs/dbraw/zinc/84/88/13/527848813.db2.gz NUJOYQAYTOUVQW-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)c2F)C1 ZINC000449037650 527848815 /nfs/dbraw/zinc/84/88/15/527848815.db2.gz NUJOYQAYTOUVQW-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)c2F)C1 ZINC000449037650 527848819 /nfs/dbraw/zinc/84/88/19/527848819.db2.gz NUJOYQAYTOUVQW-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC000449037650 527848827 /nfs/dbraw/zinc/84/88/27/527848827.db2.gz NUJOYQAYTOUVQW-OAHLLOKOSA-N 2 2 278.415 3.298 20 0 CGADLP CC(C)CC[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000449062702 527860543 /nfs/dbraw/zinc/86/05/43/527860543.db2.gz JXLKKADMKJGLTJ-HOTGVXAUSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229387 528188372 /nfs/dbraw/zinc/18/83/72/528188372.db2.gz BCOYDOZKJGQLJS-PBHICJAKSA-N 2 2 288.435 3.365 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cs1 ZINC000423350063 528313557 /nfs/dbraw/zinc/31/35/57/528313557.db2.gz WSUZSMTZHXNWNH-WFASDCNBSA-N 2 2 281.469 3.307 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc2cc(OC)ccc2c1 ZINC000423240494 528332575 /nfs/dbraw/zinc/33/25/75/528332575.db2.gz HENMGZYEQQPOQC-SFHVURJKSA-N 2 2 286.419 3.499 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423374093 528422726 /nfs/dbraw/zinc/42/27/26/528422726.db2.gz HRJHHZYVGHROIN-CABCVRRESA-N 2 2 283.419 3.397 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000423393026 528423193 /nfs/dbraw/zinc/42/31/93/528423193.db2.gz YAVZXTKZUNDTFR-BXUZGUMPSA-N 2 2 284.831 3.387 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000423383459 528423266 /nfs/dbraw/zinc/42/32/66/528423266.db2.gz PDTRNLGCBAISPM-DNVCBOLYSA-N 2 2 298.430 3.372 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423381689 528424077 /nfs/dbraw/zinc/42/40/77/528424077.db2.gz NWOQYERQDOWKRY-ZIAGYGMSSA-N 2 2 264.413 3.122 20 0 CGADLP CC(C)n1c[nH+]cc1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000425320799 528620599 /nfs/dbraw/zinc/62/05/99/528620599.db2.gz DONVIHKNTRGLFK-UHFFFAOYSA-N 2 2 292.471 3.018 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423414086 528629705 /nfs/dbraw/zinc/62/97/05/528629705.db2.gz BKTVNSWKWSKWAR-MAUKXSAKSA-N 2 2 290.451 3.058 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423230201 528690406 /nfs/dbraw/zinc/69/04/06/528690406.db2.gz CWURGIXEGLURHF-HOCLYGCPSA-N 2 2 276.424 3.268 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000428223642 528716802 /nfs/dbraw/zinc/71/68/02/528716802.db2.gz PUXKAAKVBAHZPJ-HNNXBMFYSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000428223642 528716803 /nfs/dbraw/zinc/71/68/03/528716803.db2.gz PUXKAAKVBAHZPJ-HNNXBMFYSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000428223642 528716806 /nfs/dbraw/zinc/71/68/06/528716806.db2.gz PUXKAAKVBAHZPJ-HNNXBMFYSA-N 2 2 293.455 3.242 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000428223642 528716808 /nfs/dbraw/zinc/71/68/08/528716808.db2.gz PUXKAAKVBAHZPJ-HNNXBMFYSA-N 2 2 293.455 3.242 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359639057 528816244 /nfs/dbraw/zinc/81/62/44/528816244.db2.gz SKSSWESZQWXAHQ-UHFFFAOYSA-N 3 2 295.515 3.103 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359639057 528816248 /nfs/dbraw/zinc/81/62/48/528816248.db2.gz SKSSWESZQWXAHQ-UHFFFAOYSA-N 3 2 295.515 3.103 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423304754 528819530 /nfs/dbraw/zinc/81/95/30/528819530.db2.gz ZILBWIWZDGJFCT-KBPBESRZSA-N 2 2 264.413 3.172 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423297168 528957078 /nfs/dbraw/zinc/95/70/78/528957078.db2.gz JASDXEAQBIGILX-BXUZGUMPSA-N 2 2 282.428 3.470 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000157436239 528986452 /nfs/dbraw/zinc/98/64/52/528986452.db2.gz OFLRTZCEJPGPHZ-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427893548 528987753 /nfs/dbraw/zinc/98/77/53/528987753.db2.gz PHZRRWCKEUQCSN-MSOLQXFVSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C(C)C ZINC000427722411 529034226 /nfs/dbraw/zinc/03/42/26/529034226.db2.gz LRZHKTHZEKDUBV-KRWDZBQOSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000427722411 529034229 /nfs/dbraw/zinc/03/42/29/529034229.db2.gz LRZHKTHZEKDUBV-KRWDZBQOSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423273619 529068612 /nfs/dbraw/zinc/06/86/12/529068612.db2.gz KSWMECUGFTYONQ-JOYOIKCWSA-N 2 2 290.329 3.061 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427124447 529171226 /nfs/dbraw/zinc/17/12/26/529171226.db2.gz RPPRUJPJEYLZGP-CZUORRHYSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427124447 529171229 /nfs/dbraw/zinc/17/12/29/529171229.db2.gz RPPRUJPJEYLZGP-CZUORRHYSA-N 2 2 278.827 3.086 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1Cl ZINC000423419121 529204397 /nfs/dbraw/zinc/20/43/97/529204397.db2.gz ALWZXFBUNLNYKJ-WVWOOGAGSA-N 2 2 285.218 3.252 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358136714 529241980 /nfs/dbraw/zinc/24/19/80/529241980.db2.gz AGGIEGNORLZPGJ-GJZGRUSLSA-N 2 2 275.440 3.070 20 0 CGADLP Cl/C=C\C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686959 571815304 /nfs/dbraw/zinc/81/53/04/571815304.db2.gz ZJTRZYGBBNPWPM-DDJMYBDESA-N 2 2 270.848 3.327 20 0 CGADLP Cl/C=C\C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686959 571815306 /nfs/dbraw/zinc/81/53/06/571815306.db2.gz ZJTRZYGBBNPWPM-DDJMYBDESA-N 2 2 270.848 3.327 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000161152936 572337845 /nfs/dbraw/zinc/33/78/45/572337845.db2.gz WISRBDLCMBQCNZ-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1[NH3+] ZINC000161152936 572337847 /nfs/dbraw/zinc/33/78/47/572337847.db2.gz WISRBDLCMBQCNZ-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C2CCC2)cc1 ZINC000741753833 572521730 /nfs/dbraw/zinc/52/17/30/572521730.db2.gz CBCHXTCTLFZWRY-QGZVFWFLSA-N 2 2 276.399 3.352 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCCCCCCO)C1 ZINC000744395350 572749076 /nfs/dbraw/zinc/74/90/76/572749076.db2.gz WBVXUNHMRGUIGF-KSZLIROESA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCCCCCCO)C1 ZINC000744395350 572749080 /nfs/dbraw/zinc/74/90/80/572749080.db2.gz WBVXUNHMRGUIGF-KSZLIROESA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000744395350 572749082 /nfs/dbraw/zinc/74/90/82/572749082.db2.gz WBVXUNHMRGUIGF-KSZLIROESA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000744395350 572749085 /nfs/dbraw/zinc/74/90/85/572749085.db2.gz WBVXUNHMRGUIGF-KSZLIROESA-N 2 2 296.499 3.266 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000892087055 618523091 /nfs/dbraw/zinc/52/30/91/618523091.db2.gz YTQNRDKQRQHXLH-OAHLLOKOSA-N 2 2 292.423 3.129 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000892087055 618523094 /nfs/dbraw/zinc/52/30/94/618523094.db2.gz YTQNRDKQRQHXLH-OAHLLOKOSA-N 2 2 292.423 3.129 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146800 618558449 /nfs/dbraw/zinc/55/84/49/618558449.db2.gz YRJQHWKDEDNFBG-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146800 618558454 /nfs/dbraw/zinc/55/84/54/618558454.db2.gz YRJQHWKDEDNFBG-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146800 618558459 /nfs/dbraw/zinc/55/84/59/618558459.db2.gz YRJQHWKDEDNFBG-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000892146800 618558465 /nfs/dbraw/zinc/55/84/65/618558465.db2.gz YRJQHWKDEDNFBG-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924540690 618809035 /nfs/dbraw/zinc/80/90/35/618809035.db2.gz XVUYNAVRZOKKJQ-GOSISDBHSA-N 2 2 283.419 3.021 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC000255865562 618811400 /nfs/dbraw/zinc/81/14/00/618811400.db2.gz DWORZFPJQSRCGP-YFUKIHRRSA-N 2 2 270.848 3.183 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC000255865562 618811404 /nfs/dbraw/zinc/81/14/04/618811404.db2.gz DWORZFPJQSRCGP-YFUKIHRRSA-N 2 2 270.848 3.183 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719698 618838879 /nfs/dbraw/zinc/83/88/79/618838879.db2.gz WTHKWWKGMRWPMK-RDJZCZTQSA-N 2 2 296.499 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1csc(Cl)c1 ZINC000925775215 619237375 /nfs/dbraw/zinc/23/73/75/619237375.db2.gz DRUVKEYZLHVSHU-WPRPVWTQSA-N 2 2 294.798 3.297 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094370386 619244907 /nfs/dbraw/zinc/24/49/07/619244907.db2.gz ZWCGBMZIWSNXAQ-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1C(F)F ZINC000893706626 619296624 /nfs/dbraw/zinc/29/66/24/619296624.db2.gz JJEWHDVOKUIZRE-LLVKDONJSA-N 2 2 295.308 3.064 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2cccc(F)c2)CC1 ZINC000893917570 619332659 /nfs/dbraw/zinc/33/26/59/619332659.db2.gz BBYXBNZTOPTEQN-ALCCZGGFSA-N 2 2 276.399 3.255 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2cccc(F)c2)CC1 ZINC000893917570 619332661 /nfs/dbraw/zinc/33/26/61/619332661.db2.gz BBYXBNZTOPTEQN-ALCCZGGFSA-N 2 2 276.399 3.255 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000893967049 619341197 /nfs/dbraw/zinc/34/11/97/619341197.db2.gz VVMGUVUBJOQDIQ-LLVKDONJSA-N 2 2 277.393 3.104 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cn1 ZINC000894776292 619626835 /nfs/dbraw/zinc/62/68/35/619626835.db2.gz GFTICJYZXCSRNP-UHFFFAOYSA-N 2 2 281.831 3.043 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cn1 ZINC000894776292 619626839 /nfs/dbraw/zinc/62/68/39/619626839.db2.gz GFTICJYZXCSRNP-UHFFFAOYSA-N 2 2 281.831 3.043 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000049093077 619692008 /nfs/dbraw/zinc/69/20/08/619692008.db2.gz MGGUQNBMRLGUHZ-KGLIPLIRSA-N 2 2 257.381 3.397 20 0 CGADLP CC[C@@H](C)[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)OC ZINC000896193409 619965027 /nfs/dbraw/zinc/96/50/27/619965027.db2.gz BIFFUXBTWHLHBB-GDBMZVCRSA-N 2 2 291.439 3.019 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896724759 620050220 /nfs/dbraw/zinc/05/02/20/620050220.db2.gz XOJHJGNRVFRFCQ-OAHLLOKOSA-N 2 2 295.496 3.196 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1 ZINC000840726314 620238093 /nfs/dbraw/zinc/23/80/93/620238093.db2.gz GGJFKPFLOGSZCG-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1 ZINC000840726314 620238097 /nfs/dbraw/zinc/23/80/97/620238097.db2.gz GGJFKPFLOGSZCG-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897986104 620462768 /nfs/dbraw/zinc/46/27/68/620462768.db2.gz XGTOPIOIAVPLDV-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841059742 620549014 /nfs/dbraw/zinc/54/90/14/620549014.db2.gz WNGRHYAWGSMIJQ-GXFFZTMASA-N 2 2 286.391 3.089 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924648286 620555550 /nfs/dbraw/zinc/55/55/50/620555550.db2.gz JPNYBMRWMZCFKV-ZIAGYGMSSA-N 2 2 296.374 3.277 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1c(F)cccc1F ZINC000902318768 621241720 /nfs/dbraw/zinc/24/17/20/621241720.db2.gz IZDKUNKCAVQVSK-NEPJUHHUSA-N 2 2 282.378 3.394 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2cc(Cl)ccc2o1 ZINC000902413107 621322449 /nfs/dbraw/zinc/32/24/49/621322449.db2.gz INGKIVWFESXDQZ-VIFPVBQESA-N 2 2 264.756 3.228 20 0 CGADLP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902803287 621443143 /nfs/dbraw/zinc/44/31/43/621443143.db2.gz UYRCYXLRJDCTET-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000903483148 621765997 /nfs/dbraw/zinc/76/59/97/621765997.db2.gz FBUKKBSJJWQVRE-GOSISDBHSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888928 621822771 /nfs/dbraw/zinc/82/27/71/621822771.db2.gz NCIKHVFBUZNXIW-CVEARBPZSA-N 2 2 296.405 3.232 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888928 621822774 /nfs/dbraw/zinc/82/27/74/621822774.db2.gz NCIKHVFBUZNXIW-CVEARBPZSA-N 2 2 296.405 3.232 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903893212 621827811 /nfs/dbraw/zinc/82/78/11/621827811.db2.gz SMKLFTNJJGFKOS-GDBMZVCRSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903893212 621827813 /nfs/dbraw/zinc/82/78/13/621827813.db2.gz SMKLFTNJJGFKOS-GDBMZVCRSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cncc(F)c1 ZINC000904371516 621914340 /nfs/dbraw/zinc/91/43/40/621914340.db2.gz PEPDPWFZBKUSIG-SMDDNHRTSA-N 2 2 267.392 3.025 20 0 CGADLP Cc1nc(C)c(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)s1 ZINC000904366677 621915936 /nfs/dbraw/zinc/91/59/36/621915936.db2.gz OSTPZEPVGVKCFQ-GFCCVEGCSA-N 2 2 269.458 3.003 20 0 CGADLP CN(C)c1cc(-c2cccc(C3CC[NH2+]CC3)c2)cc[nH+]1 ZINC000904852397 622008683 /nfs/dbraw/zinc/00/86/83/622008683.db2.gz YMIOOOPPXHXACV-UHFFFAOYSA-N 2 2 281.403 3.282 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924852590 622722441 /nfs/dbraw/zinc/72/24/41/622722441.db2.gz KFLZTCZSDZYZMD-KGLIPLIRSA-N 2 2 287.407 3.332 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151664202 623553845 /nfs/dbraw/zinc/55/38/45/623553845.db2.gz BNAWVTNXAWJAGU-OCCSQVGLSA-N 2 2 273.405 3.028 20 0 CGADLP CS[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822903 625892555 /nfs/dbraw/zinc/89/25/55/625892555.db2.gz ZMRNTYUZZQVJKQ-KGLIPLIRSA-N 2 2 279.453 3.147 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccs1 ZINC000086509791 626075353 /nfs/dbraw/zinc/07/53/53/626075353.db2.gz FEZQPBNQXUWMGA-NWDGAFQWSA-N 2 2 278.425 3.105 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766273520 627311507 /nfs/dbraw/zinc/31/15/07/627311507.db2.gz QBPHZNLZUPWNOJ-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766273520 627311509 /nfs/dbraw/zinc/31/15/09/627311509.db2.gz QBPHZNLZUPWNOJ-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000766275637 627311598 /nfs/dbraw/zinc/31/15/98/627311598.db2.gz YAMLEOQSARUBHS-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000766275637 627311599 /nfs/dbraw/zinc/31/15/99/627311599.db2.gz YAMLEOQSARUBHS-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000766273505 627311613 /nfs/dbraw/zinc/31/16/13/627311613.db2.gz PYNHZPAMURBOAY-YJBOKZPZSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000766273505 627311615 /nfs/dbraw/zinc/31/16/15/627311615.db2.gz PYNHZPAMURBOAY-YJBOKZPZSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766480886 627336345 /nfs/dbraw/zinc/33/63/45/627336345.db2.gz VJZVLGHZXWXKMD-NXVRBGIVSA-N 2 2 299.418 3.217 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000774443394 627991270 /nfs/dbraw/zinc/99/12/70/627991270.db2.gz PVEMUDVPILOONX-RHSMWYFYSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000774443394 627991272 /nfs/dbraw/zinc/99/12/72/627991272.db2.gz PVEMUDVPILOONX-RHSMWYFYSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000775510166 628102589 /nfs/dbraw/zinc/10/25/89/628102589.db2.gz ZCGDJMCIEDVJRK-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000775510166 628102590 /nfs/dbraw/zinc/10/25/90/628102590.db2.gz ZCGDJMCIEDVJRK-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000777464676 628274484 /nfs/dbraw/zinc/27/44/84/628274484.db2.gz ZTYRKLQOZYUDOD-DOMZBBRYSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000777464676 628274485 /nfs/dbraw/zinc/27/44/85/628274485.db2.gz ZTYRKLQOZYUDOD-DOMZBBRYSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000777464676 628274489 /nfs/dbraw/zinc/27/44/89/628274489.db2.gz ZTYRKLQOZYUDOD-DOMZBBRYSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000777464676 628274494 /nfs/dbraw/zinc/27/44/94/628274494.db2.gz ZTYRKLQOZYUDOD-DOMZBBRYSA-N 2 2 296.842 3.121 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000783243027 628693151 /nfs/dbraw/zinc/69/31/51/628693151.db2.gz JDLIIAHVQDCOQX-FVQBIDKESA-N 2 2 269.392 3.092 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000783568889 628727297 /nfs/dbraw/zinc/72/72/97/628727297.db2.gz IFTRLQQHZNXVDX-CABCVRRESA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000783568889 628727298 /nfs/dbraw/zinc/72/72/98/628727298.db2.gz IFTRLQQHZNXVDX-CABCVRRESA-N 2 2 270.486 3.126 20 0 CGADLP C[C@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCCCC1 ZINC000783598057 628730510 /nfs/dbraw/zinc/73/05/10/628730510.db2.gz DOHBOQYOSBNEOE-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP FC(F)C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000862455799 629381178 /nfs/dbraw/zinc/38/11/78/629381178.db2.gz JRXCZHLPRJMKMX-ORHYLEIMSA-N 2 2 272.383 3.027 20 0 CGADLP FC(F)C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000862455799 629381181 /nfs/dbraw/zinc/38/11/81/629381181.db2.gz JRXCZHLPRJMKMX-ORHYLEIMSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000863548686 629604597 /nfs/dbraw/zinc/60/45/97/629604597.db2.gz RLQWAHIVSKEHFV-ONERCXAPSA-N 2 2 264.800 3.057 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000796717653 629819394 /nfs/dbraw/zinc/81/93/94/629819394.db2.gz QKJUFPOOSNIRPG-IRXDYDNUSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627494 631808615 /nfs/dbraw/zinc/80/86/15/631808615.db2.gz BYZYGDQVNWKJIU-AAEUAGOBSA-N 2 2 273.355 3.065 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)n1C ZINC000865834549 632907149 /nfs/dbraw/zinc/90/71/49/632907149.db2.gz STZUKIJPHNMLQX-SFHVURJKSA-N 2 2 298.434 3.015 20 0 CGADLP Cc1cc(CNc2cc[nH+]cc2C(F)(F)F)cc(C)[nH+]1 ZINC000865883014 632939014 /nfs/dbraw/zinc/93/90/14/632939014.db2.gz FGXYVNBSGLYHSO-UHFFFAOYSA-N 2 2 281.281 3.146 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)ccc2c1 ZINC000866722603 633236991 /nfs/dbraw/zinc/23/69/91/633236991.db2.gz AFEJROFQINJCOK-OALUTQOASA-N 2 2 280.415 3.209 20 0 CGADLP c1ccc2cc(CC[N@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)ccc2c1 ZINC000866722603 633236994 /nfs/dbraw/zinc/23/69/94/633236994.db2.gz AFEJROFQINJCOK-OALUTQOASA-N 2 2 280.415 3.209 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866724937 633237014 /nfs/dbraw/zinc/23/70/14/633237014.db2.gz OKCZMUUYRGUTOO-HOTGVXAUSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866724937 633237018 /nfs/dbraw/zinc/23/70/18/633237018.db2.gz OKCZMUUYRGUTOO-HOTGVXAUSA-N 2 2 278.827 3.099 20 0 CGADLP CC/C=C/C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824701846 633276785 /nfs/dbraw/zinc/27/67/85/633276785.db2.gz CTIFIFUPHNHBRB-AATRIKPKSA-N 2 2 287.451 3.277 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023189 633943931 /nfs/dbraw/zinc/94/39/31/633943931.db2.gz PZHYIMDOCUVRIH-NCOADZHNSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000872023189 633943933 /nfs/dbraw/zinc/94/39/33/633943933.db2.gz PZHYIMDOCUVRIH-NCOADZHNSA-N 2 2 296.499 3.433 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000872041791 633964315 /nfs/dbraw/zinc/96/43/15/633964315.db2.gz WALFHULCOYZMQY-NWDGAFQWSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000872041791 633964320 /nfs/dbraw/zinc/96/43/20/633964320.db2.gz WALFHULCOYZMQY-NWDGAFQWSA-N 2 2 266.351 3.039 20 0 CGADLP C[NH2+]c1ccc(NCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873212742 634286768 /nfs/dbraw/zinc/28/67/68/634286768.db2.gz QUVWODIUVFFCES-UHFFFAOYSA-N 2 2 273.405 3.048 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229949 634293270 /nfs/dbraw/zinc/29/32/70/634293270.db2.gz JGDGRGAAZBQMOK-KGLIPLIRSA-N 2 2 284.325 3.080 20 0 CGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000876956473 634937403 /nfs/dbraw/zinc/93/74/03/634937403.db2.gz LGTYHXUBSJWHDE-CVEARBPZSA-N 2 2 293.455 3.093 20 0 CGADLP C[N@H+](CCCSC(C)(C)C)CCCn1cc[nH+]c1 ZINC000878319566 635459470 /nfs/dbraw/zinc/45/94/70/635459470.db2.gz WCTJVJXOBPPNKV-UHFFFAOYSA-N 2 2 269.458 3.127 20 0 CGADLP C[N@@H+](CCCSC(C)(C)C)CCCn1cc[nH+]c1 ZINC000878319566 635459478 /nfs/dbraw/zinc/45/94/78/635459478.db2.gz WCTJVJXOBPPNKV-UHFFFAOYSA-N 2 2 269.458 3.127 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2C2CCC2)s1 ZINC000843437630 635676309 /nfs/dbraw/zinc/67/63/09/635676309.db2.gz QSSHWHYFFBZXCB-HNNXBMFYSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2C2CCC2)s1 ZINC000843437630 635676314 /nfs/dbraw/zinc/67/63/14/635676314.db2.gz QSSHWHYFFBZXCB-HNNXBMFYSA-N 2 2 293.480 3.359 20 0 CGADLP c1cn(CCC[NH2+][C@H](Cc2cccnc2)C2CCCC2)c[nH+]1 ZINC000879675154 635832174 /nfs/dbraw/zinc/83/21/74/635832174.db2.gz WWWPYADADPBSJS-GOSISDBHSA-N 2 2 298.434 3.059 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC/C=C/c1ccccc1 ZINC000880142579 635924306 /nfs/dbraw/zinc/92/43/06/635924306.db2.gz QNTGJSKJYMQBCR-VRHLNINDSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC/C=C/c1ccccc1 ZINC000880142579 635924310 /nfs/dbraw/zinc/92/43/10/635924310.db2.gz QNTGJSKJYMQBCR-VRHLNINDSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC/C=C/c1ccccc1 ZINC000880142579 635924314 /nfs/dbraw/zinc/92/43/14/635924314.db2.gz QNTGJSKJYMQBCR-VRHLNINDSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC/C=C/c1ccccc1 ZINC000880142579 635924317 /nfs/dbraw/zinc/92/43/17/635924317.db2.gz QNTGJSKJYMQBCR-VRHLNINDSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142736 635924869 /nfs/dbraw/zinc/92/48/69/635924869.db2.gz TZJCORVJHLUPQW-CVEARBPZSA-N 2 2 282.497 3.221 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142736 635924875 /nfs/dbraw/zinc/92/48/75/635924875.db2.gz TZJCORVJHLUPQW-CVEARBPZSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCSC1CCCCC1 ZINC000880142736 635924882 /nfs/dbraw/zinc/92/48/82/635924882.db2.gz TZJCORVJHLUPQW-CVEARBPZSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCSC1CCCCC1 ZINC000880142736 635924888 /nfs/dbraw/zinc/92/48/88/635924888.db2.gz TZJCORVJHLUPQW-CVEARBPZSA-N 2 2 282.497 3.221 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000880472783 636007534 /nfs/dbraw/zinc/00/75/34/636007534.db2.gz CEFVWDUKBVORKY-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCC2CCC2)c2ccccc2)c[nH+]1 ZINC000880569946 636022684 /nfs/dbraw/zinc/02/26/84/636022684.db2.gz MLUPDJIKSCPODH-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000848928288 636701050 /nfs/dbraw/zinc/70/10/50/636701050.db2.gz YAUHQMCQGRJXDK-ZWKOTPCHSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848928288 636701054 /nfs/dbraw/zinc/70/10/54/636701054.db2.gz YAUHQMCQGRJXDK-ZWKOTPCHSA-N 2 2 272.436 3.144 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCCO1 ZINC000883387965 636729065 /nfs/dbraw/zinc/72/90/65/636729065.db2.gz JIEXYPBURNECHH-CGTJXYLNSA-N 2 2 299.418 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883386988 636729329 /nfs/dbraw/zinc/72/93/29/636729329.db2.gz PSZLECHXMIWYJV-QAPCUYQASA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+]1CCCCC1 ZINC000850426245 637056942 /nfs/dbraw/zinc/05/69/42/637056942.db2.gz SQWITWMIEKMCKQ-VXGBXAGGSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438041 637062877 /nfs/dbraw/zinc/06/28/77/637062877.db2.gz CEGASKZIBZLNAT-GJZGRUSLSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438041 637062882 /nfs/dbraw/zinc/06/28/82/637062882.db2.gz CEGASKZIBZLNAT-GJZGRUSLSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1coc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000885920551 637311788 /nfs/dbraw/zinc/31/17/88/637311788.db2.gz BSZZGGRXZURKFQ-UHFFFAOYSA-N 2 2 298.430 3.385 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707844 638392439 /nfs/dbraw/zinc/39/24/39/638392439.db2.gz VWZSCWMBTXSTIJ-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707844 638392443 /nfs/dbraw/zinc/39/24/43/638392443.db2.gz VWZSCWMBTXSTIJ-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924851853 638414103 /nfs/dbraw/zinc/41/41/03/638414103.db2.gz HDPIJEFJGXJWJL-BXUZGUMPSA-N 2 2 281.831 3.042 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925000913 638435907 /nfs/dbraw/zinc/43/59/07/638435907.db2.gz MCCNXLWQHVWHDF-VMBOVVBDSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925049788 638442780 /nfs/dbraw/zinc/44/27/80/638442780.db2.gz BGOLCLICNRWWRH-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925049788 638442787 /nfs/dbraw/zinc/44/27/87/638442787.db2.gz BGOLCLICNRWWRH-MSOLQXFVSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000925167812 638466537 /nfs/dbraw/zinc/46/65/37/638466537.db2.gz DZJDCTJTFFHVNO-HOTGVXAUSA-N 2 2 281.403 3.346 20 0 CGADLP c1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CCC2)nc1 ZINC000925230659 638481223 /nfs/dbraw/zinc/48/12/23/638481223.db2.gz CMCBSYCFRDSUJC-GOSISDBHSA-N 2 2 296.418 3.410 20 0 CGADLP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)on1 ZINC000925498245 638512236 /nfs/dbraw/zinc/51/22/36/638512236.db2.gz DHGFTXWOVBYEEY-CVEARBPZSA-N 2 2 291.439 3.056 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCCO1 ZINC000925524993 638518878 /nfs/dbraw/zinc/51/88/78/638518878.db2.gz CVQPDRKXWNOIJP-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCCCO1 ZINC000925524993 638518883 /nfs/dbraw/zinc/51/88/83/638518883.db2.gz CVQPDRKXWNOIJP-ZACQAIPSSA-N 2 2 294.483 3.188 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925640300 638553751 /nfs/dbraw/zinc/55/37/51/638553751.db2.gz RMTLJCOKQOECOV-UKRRQHHQSA-N 2 2 276.449 3.390 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925658171 638559259 /nfs/dbraw/zinc/55/92/59/638559259.db2.gz HAYPIOUVPFSMQX-DLBZAZTESA-N 2 2 288.435 3.029 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000925665428 638561696 /nfs/dbraw/zinc/56/16/96/638561696.db2.gz KJCYUBVRNLJFDY-JQWIXIFHSA-N 2 2 274.330 3.253 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000925670367 638563812 /nfs/dbraw/zinc/56/38/12/638563812.db2.gz KYTCSSZOBGDKAT-ZYHUDNBSSA-N 2 2 272.314 3.007 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925672562 638564737 /nfs/dbraw/zinc/56/47/37/638564737.db2.gz WDTAKUKMKVGKEN-QAPCUYQASA-N 2 2 295.430 3.181 20 0 CGADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925737571 638589751 /nfs/dbraw/zinc/58/97/51/638589751.db2.gz RMRUFNNGOZEMCY-ZIAGYGMSSA-N 2 2 282.815 3.097 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750834 638596813 /nfs/dbraw/zinc/59/68/13/638596813.db2.gz IOMAOQGAMZCJCJ-ABAIWWIYSA-N 2 2 299.443 3.208 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925750834 638596817 /nfs/dbraw/zinc/59/68/17/638596817.db2.gz IOMAOQGAMZCJCJ-ABAIWWIYSA-N 2 2 299.443 3.208 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1cc(N)cc[nH+]1)c1ccccc1 ZINC000925771967 638606448 /nfs/dbraw/zinc/60/64/48/638606448.db2.gz PPKGLWRHGWYCAU-MRXNPFEDSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000926141174 638720629 /nfs/dbraw/zinc/72/06/29/638720629.db2.gz GYZGGDOPXKVRRF-STQMWFEESA-N 2 2 279.428 3.207 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000926141171 638721309 /nfs/dbraw/zinc/72/13/09/638721309.db2.gz GYZGGDOPXKVRRF-OLZOCXBDSA-N 2 2 279.428 3.207 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1coc2ccccc12 ZINC000926230334 638748636 /nfs/dbraw/zinc/74/86/36/638748636.db2.gz SILFNLOWSCGJOI-OLZOCXBDSA-N 2 2 281.359 3.295 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC=CC1 ZINC000926948012 638828244 /nfs/dbraw/zinc/82/82/44/638828244.db2.gz AMAMVCMCAINXHC-QFBILLFUSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC=CC1 ZINC000926948012 638828246 /nfs/dbraw/zinc/82/82/46/638828246.db2.gz AMAMVCMCAINXHC-QFBILLFUSA-N 2 2 299.462 3.238 20 0 CGADLP Cc1[nH]c(C[N@@H+](Cc2cccs2)C(C)C)c(C)[nH+]1 ZINC000929341693 638919975 /nfs/dbraw/zinc/91/99/75/638919975.db2.gz LMMYBZUPBPOPEB-UHFFFAOYSA-N 2 2 263.410 3.499 20 0 CGADLP Cc1[nH]c(C[N@H+](Cc2cccs2)C(C)C)c(C)[nH+]1 ZINC000929341693 638919977 /nfs/dbraw/zinc/91/99/77/638919977.db2.gz LMMYBZUPBPOPEB-UHFFFAOYSA-N 2 2 263.410 3.499 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccns1 ZINC000858576815 638996545 /nfs/dbraw/zinc/99/65/45/638996545.db2.gz NLQBIWQAYJNANC-NSHDSACASA-N 2 2 267.442 3.057 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349966 639138746 /nfs/dbraw/zinc/13/87/46/639138746.db2.gz CIGJOLKUCICJIW-ZDUSSCGKSA-N 2 2 264.388 3.303 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CCSCC3)CC2)c(C)[nH+]1 ZINC000931462964 639154728 /nfs/dbraw/zinc/15/47/28/639154728.db2.gz BBHUZXAOEDBMAZ-UHFFFAOYSA-N 2 2 279.453 3.136 20 0 CGADLP Cc1[nH]c(C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)c(C)[nH+]1 ZINC000931710588 639193950 /nfs/dbraw/zinc/19/39/50/639193950.db2.gz UONBXJBCAKYEFO-INIZCTEOSA-N 2 2 296.418 3.011 20 0 CGADLP Cc1[nH]c(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)c(C)[nH+]1 ZINC000931710588 639193956 /nfs/dbraw/zinc/19/39/56/639193956.db2.gz UONBXJBCAKYEFO-INIZCTEOSA-N 2 2 296.418 3.011 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1 ZINC000931727706 639197731 /nfs/dbraw/zinc/19/77/31/639197731.db2.gz WUSPVIHCKDPJQY-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)cc1 ZINC000931727706 639197738 /nfs/dbraw/zinc/19/77/38/639197738.db2.gz WUSPVIHCKDPJQY-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1 ZINC000931727706 639197741 /nfs/dbraw/zinc/19/77/41/639197741.db2.gz WUSPVIHCKDPJQY-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1 ZINC000931727706 639197743 /nfs/dbraw/zinc/19/77/43/639197743.db2.gz WUSPVIHCKDPJQY-SJORKVTESA-N 2 2 288.435 3.142 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cncs1 ZINC000934195460 639555238 /nfs/dbraw/zinc/55/52/38/639555238.db2.gz OROYWFSKVFLPAQ-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1nc(N(C)C2CC[NH2+]CC2)cc(C2CCCCC2)[nH+]1 ZINC001156176319 805662626 /nfs/dbraw/zinc/66/26/26/805662626.db2.gz XPZUEVQGISTXNE-UHFFFAOYSA-N 2 2 288.439 3.021 20 0 CGADLP Cc1nc(NCC[C@@H]2CCC[N@H+](C)C2)cc(C(C)C)[nH+]1 ZINC001156381933 805681553 /nfs/dbraw/zinc/68/15/53/805681553.db2.gz XATQBXKHDIUFHV-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)cc(C(C)C)[nH+]1 ZINC001156381933 805681557 /nfs/dbraw/zinc/68/15/57/805681557.db2.gz XATQBXKHDIUFHV-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1c[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(N)c1 ZINC001156531226 805709666 /nfs/dbraw/zinc/70/96/66/805709666.db2.gz VDJNPDAOYCWNFV-KRWDZBQOSA-N 2 2 296.418 3.221 20 0 CGADLP COc1ccc2c[nH+]c(NCc3ccc(N)[nH+]c3C)cc2c1 ZINC001156980727 805762376 /nfs/dbraw/zinc/76/23/76/805762376.db2.gz NVXFFISNGDDKGX-UHFFFAOYSA-N 2 2 294.358 3.141 20 0 CGADLP Cc1nc(N2CCCC[C@@]23CCC[NH2+]C3)cc(C(C)C)[nH+]1 ZINC001157468502 805818051 /nfs/dbraw/zinc/81/80/51/805818051.db2.gz OYUCZIUJBMVCAH-KRWDZBQOSA-N 2 2 288.439 3.021 20 0 CGADLP Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]c1C ZINC001157746227 805860608 /nfs/dbraw/zinc/86/06/08/805860608.db2.gz OPQQWEWUEBSULU-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP Cc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(C(C)C)[nH+]1 ZINC001157795056 805872414 /nfs/dbraw/zinc/87/24/14/805872414.db2.gz CZZJFMCETADBFB-ZFWWWQNUSA-N 2 2 276.428 3.193 20 0 CGADLP CC[C@@H](C)C[C@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157882349 805895355 /nfs/dbraw/zinc/89/53/55/805895355.db2.gz RUZUXDDILAFRQF-CABCVRRESA-N 2 2 290.455 3.070 20 0 CGADLP Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc(C2CCCCC2)[nH+]1 ZINC001158176095 805925642 /nfs/dbraw/zinc/92/56/42/805925642.db2.gz CONUEOWJFHCJQH-BETUJISGSA-N 2 2 288.439 3.019 20 0 CGADLP CCOc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158271546 805933988 /nfs/dbraw/zinc/93/39/88/805933988.db2.gz IYVJNORFZIEKRV-CXAGYDPISA-N 2 2 291.439 3.436 20 0 CGADLP COc1cc[nH+]c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c1 ZINC001158729806 805990199 /nfs/dbraw/zinc/99/01/99/805990199.db2.gz NNJIYAMVLBDCFS-HNNXBMFYSA-N 2 2 283.375 3.330 20 0 CGADLP Cc1cc(O)c[nH+]c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159124448 806045851 /nfs/dbraw/zinc/04/58/51/806045851.db2.gz XWKNJLKMTJPQCF-OAHLLOKOSA-N 2 2 269.348 3.264 20 0 CGADLP Clc1cc(Nc2ccc3c(c2)C[NH2+]C3)cn2cc[nH+]c12 ZINC001159266762 806070530 /nfs/dbraw/zinc/07/05/30/806070530.db2.gz QZIFMQIHAGSDPO-UHFFFAOYSA-N 2 2 284.750 3.335 20 0 CGADLP c1c[nH+]c(Nc2cccc3c2CC[NH2+]C3)c(C2CC2)c1 ZINC001159365353 806087252 /nfs/dbraw/zinc/08/72/52/806087252.db2.gz DWDOUINDPDSCDO-UHFFFAOYSA-N 2 2 265.360 3.348 20 0 CGADLP c1cc(Nc2cccc(C3CC3)[nH+]2)cc(N2CC[NH2+]CC2)c1 ZINC001159365694 806087304 /nfs/dbraw/zinc/08/73/04/806087304.db2.gz KVGKXDNFZFHGGK-UHFFFAOYSA-N 2 2 294.402 3.112 20 0 CGADLP Cc1cc(CC(C)C)[nH+]cc1NC=C1CC[NH2+]CC1 ZINC001159372888 806089793 /nfs/dbraw/zinc/08/97/93/806089793.db2.gz ZYAVSNDUXSOMMJ-UHFFFAOYSA-N 2 2 259.397 3.268 20 0 CGADLP Cc1ccc(Nc2ccc(C(C)(C)C[NH3+])cc2)[nH+]c1 ZINC001159581746 806124778 /nfs/dbraw/zinc/12/47/78/806124778.db2.gz OQHQQAFMDPYWKX-UHFFFAOYSA-N 2 2 255.365 3.370 20 0 CGADLP Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)[nH+]c1 ZINC001160164234 806230045 /nfs/dbraw/zinc/23/00/45/806230045.db2.gz VSNAVQGHLWGAAB-CYBMUJFWSA-N 2 2 287.338 3.013 20 0 CGADLP [NH3+]Cc1ccccc1CNc1cc2ccccc2c[nH+]1 ZINC001160906496 806318662 /nfs/dbraw/zinc/31/86/62/806318662.db2.gz ZIOUEHCVBZPEJL-UHFFFAOYSA-N 2 2 263.344 3.306 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC001254229140 806373450 /nfs/dbraw/zinc/37/34/50/806373450.db2.gz HCXYUHRJKAWYHI-AWEZNQCLSA-N 2 2 296.361 3.421 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001254229140 806373461 /nfs/dbraw/zinc/37/34/61/806373461.db2.gz HCXYUHRJKAWYHI-AWEZNQCLSA-N 2 2 296.361 3.421 20 0 CGADLP CCCc1cc(NCCCC[NH+](C)C)nc(CCC)[nH+]1 ZINC001161728535 806437660 /nfs/dbraw/zinc/43/76/60/806437660.db2.gz NGIAYLATDFDYDI-UHFFFAOYSA-N 2 2 278.444 3.135 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254835670 806493594 /nfs/dbraw/zinc/49/35/94/806493594.db2.gz IFBKIJYYZLUBRP-BCLQGDPASA-N 2 2 250.430 3.029 20 0 CGADLP Clc1cccc([C@@H]2C[C@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840587 806494171 /nfs/dbraw/zinc/49/41/71/806494171.db2.gz JSGTVSXSTZYQDL-YESZJQIVSA-N 2 2 290.838 3.270 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254837258 806494667 /nfs/dbraw/zinc/49/46/67/806494667.db2.gz STGQZCMKHTVWSD-PBHICJAKSA-N 2 2 258.409 3.130 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254842865 806495355 /nfs/dbraw/zinc/49/53/55/806495355.db2.gz GVRPYGMCNFHPTA-PREGVCBESA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)(CC1CCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848691 806497423 /nfs/dbraw/zinc/49/74/23/806497423.db2.gz UPVVJKUKQURVDI-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccc(OC)cc1 ZINC001254843311 806496215 /nfs/dbraw/zinc/49/62/15/806496215.db2.gz HWCJZNBMHFLEPE-FUHWJXTLSA-N 2 2 288.435 3.220 20 0 CGADLP CCCC[NH+](CCCC)CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254930843 806512176 /nfs/dbraw/zinc/51/21/76/806512176.db2.gz KIOKQVAZWDYZAS-HOTGVXAUSA-N 2 2 294.483 3.236 20 0 CGADLP C[C@@]1([NH3+])C[C@H](Nc2cc(-c3ccnc(Cl)c3)cc[nH+]2)C1 ZINC001162325476 806554592 /nfs/dbraw/zinc/55/45/92/806554592.db2.gz ZUXCJFOZJURFSN-JNSHFYNHSA-N 2 2 288.782 3.089 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C1 ZINC001162397891 806575825 /nfs/dbraw/zinc/57/58/25/806575825.db2.gz ZXKOASBCJSHICL-VXGBXAGGSA-N 2 2 299.340 3.357 20 0 CGADLP CCCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001255332948 806618330 /nfs/dbraw/zinc/61/83/30/806618330.db2.gz GCMXZJHTDIMFEY-GJZGRUSLSA-N 2 2 262.397 3.422 20 0 CGADLP CCCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001255332948 806618337 /nfs/dbraw/zinc/61/83/37/806618337.db2.gz GCMXZJHTDIMFEY-GJZGRUSLSA-N 2 2 262.397 3.422 20 0 CGADLP Cc1cc[nH+]c(C)c1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162777138 806663045 /nfs/dbraw/zinc/66/30/45/806663045.db2.gz LSCSWKBUOQWRTH-NSHDSACASA-N 2 2 266.348 3.057 20 0 CGADLP FC1(F)C[NH2+]CC[C@H]1CCNc1ccc2c([nH+]1)CCCC2 ZINC001162811240 806667969 /nfs/dbraw/zinc/66/79/69/806667969.db2.gz UCLNMCPCZZJRMI-ZDUSSCGKSA-N 2 2 295.377 3.007 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037089745 798858669 /nfs/dbraw/zinc/85/86/69/798858669.db2.gz BQBCWKNZVDBOME-CYBMUJFWSA-N 2 2 294.414 3.358 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000037156064 798860197 /nfs/dbraw/zinc/86/01/97/798860197.db2.gz YKRAFBYFFYLHAQ-AWEZNQCLSA-N 2 2 277.437 3.458 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722594 806720810 /nfs/dbraw/zinc/72/08/10/806720810.db2.gz LCQKWUMIKNJASN-SYQHCUMBSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722594 806720814 /nfs/dbraw/zinc/72/08/14/806720814.db2.gz LCQKWUMIKNJASN-SYQHCUMBSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722594 806720817 /nfs/dbraw/zinc/72/08/17/806720817.db2.gz LCQKWUMIKNJASN-SYQHCUMBSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001255722594 806720820 /nfs/dbraw/zinc/72/08/20/806720820.db2.gz LCQKWUMIKNJASN-SYQHCUMBSA-N 2 2 290.373 3.134 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)c[nH]c21 ZINC000381760323 799386778 /nfs/dbraw/zinc/38/67/78/799386778.db2.gz OONJSZIBWDSHTK-WBMJQRKESA-N 2 2 271.408 3.042 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)c[nH]c21 ZINC000381760323 799386782 /nfs/dbraw/zinc/38/67/82/799386782.db2.gz OONJSZIBWDSHTK-WBMJQRKESA-N 2 2 271.408 3.042 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000385211532 799423316 /nfs/dbraw/zinc/42/33/16/799423316.db2.gz JFCOFQDGSWZFSW-ZDUSSCGKSA-N 2 2 260.491 3.084 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390581751 799471680 /nfs/dbraw/zinc/47/16/80/799471680.db2.gz JEOLXOZWFZGGMX-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390581751 799471681 /nfs/dbraw/zinc/47/16/81/799471681.db2.gz JEOLXOZWFZGGMX-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000394259079 799495931 /nfs/dbraw/zinc/49/59/31/799495931.db2.gz KKORIMTZVRMLQI-UPJWGTAASA-N 2 2 278.362 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000394259079 799495932 /nfs/dbraw/zinc/49/59/32/799495932.db2.gz KKORIMTZVRMLQI-UPJWGTAASA-N 2 2 278.362 3.181 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000405402068 799584091 /nfs/dbraw/zinc/58/40/91/799584091.db2.gz KJZXVAXAWYUVHB-ZACQAIPSSA-N 2 2 282.387 3.229 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000705210392 799945726 /nfs/dbraw/zinc/94/57/26/799945726.db2.gz CDCWVKVDNMFDKV-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000705210392 799945731 /nfs/dbraw/zinc/94/57/31/799945731.db2.gz CDCWVKVDNMFDKV-RDJZCZTQSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+]1CCCCC1 ZINC000705356208 799947930 /nfs/dbraw/zinc/94/79/30/799947930.db2.gz SRWOUNSJJBDASD-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471600 807172750 /nfs/dbraw/zinc/17/27/50/807172750.db2.gz NRMKMVAJPPOVGV-IAGOWNOFSA-N 3 2 285.520 3.194 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC001255960065 806800682 /nfs/dbraw/zinc/80/06/82/806800682.db2.gz DXQQVCYJLUYTLX-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOc2ccccc2C1 ZINC001255960065 806800690 /nfs/dbraw/zinc/80/06/90/806800690.db2.gz DXQQVCYJLUYTLX-OAHLLOKOSA-N 2 2 276.424 3.001 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+](CCCC1CCCCC1)C2 ZINC000710291888 800032031 /nfs/dbraw/zinc/03/20/31/800032031.db2.gz JNMHTPWEQCOLNQ-UHFFFAOYSA-N 2 2 293.480 3.320 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](CCCC1CCCCC1)C2 ZINC000710291888 800032037 /nfs/dbraw/zinc/03/20/37/800032037.db2.gz JNMHTPWEQCOLNQ-UHFFFAOYSA-N 2 2 293.480 3.320 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccc(OC)cc2C1 ZINC001255957614 806798293 /nfs/dbraw/zinc/79/82/93/806798293.db2.gz STTATLYCJAQFKY-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccc(OC)cc2C1 ZINC001255957614 806798297 /nfs/dbraw/zinc/79/82/97/806798297.db2.gz STTATLYCJAQFKY-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471600 807172744 /nfs/dbraw/zinc/17/27/44/807172744.db2.gz NRMKMVAJPPOVGV-IAGOWNOFSA-N 3 2 285.520 3.194 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000714758603 800128241 /nfs/dbraw/zinc/12/82/41/800128241.db2.gz KILWVJHMNKSOME-UHFFFAOYSA-N 2 2 282.815 3.052 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000715554636 800138501 /nfs/dbraw/zinc/13/85/01/800138501.db2.gz WTRSUYZXVHTAGR-GDLCADMTSA-N 2 2 281.469 3.283 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000715544928 800138692 /nfs/dbraw/zinc/13/86/92/800138692.db2.gz VKLALYAEQDYRCM-QWHCGFSZSA-N 2 2 295.496 3.403 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000717942633 800207932 /nfs/dbraw/zinc/20/79/32/800207932.db2.gz HZSZZBQBBGFNJI-VIFPVBQESA-N 2 2 289.326 3.314 20 0 CGADLP CC1(C)CCC2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)O1 ZINC001256082168 806816598 /nfs/dbraw/zinc/81/65/98/806816598.db2.gz VFRSWMFXTKSQCU-UHFFFAOYSA-N 2 2 292.467 3.037 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](c2cccs2)C2CC2)c(C)[nH+]1 ZINC000724673763 800365893 /nfs/dbraw/zinc/36/58/93/800365893.db2.gz GGLAOEKJDPFNLM-CQSZACIVSA-N 2 2 261.394 3.329 20 0 CGADLP c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001256121162 806828366 /nfs/dbraw/zinc/82/83/66/806828366.db2.gz MHBQHBGLKAPPME-HKUYNNGSSA-N 2 2 284.447 3.493 20 0 CGADLP c1ccc([C@H]2CCC[C@H]([N@H+]3CC[NH+]4CCC3CC4)C2)cc1 ZINC001256121162 806828368 /nfs/dbraw/zinc/82/83/68/806828368.db2.gz MHBQHBGLKAPPME-HKUYNNGSSA-N 2 2 284.447 3.493 20 0 CGADLP COc1cccc(C[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001256167197 806842648 /nfs/dbraw/zinc/84/26/48/806842648.db2.gz JGPWMORZJXWBSQ-OAHLLOKOSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256558003 806915225 /nfs/dbraw/zinc/91/52/25/806915225.db2.gz PSOLFGODBNKVML-CJNGLKHVSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256558003 806915232 /nfs/dbraw/zinc/91/52/32/806915232.db2.gz PSOLFGODBNKVML-CJNGLKHVSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561532 806916935 /nfs/dbraw/zinc/91/69/35/806916935.db2.gz JSXZFNOCLGJFCV-INIZCTEOSA-N 3 2 295.515 3.103 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256561532 806916940 /nfs/dbraw/zinc/91/69/40/806916940.db2.gz JSXZFNOCLGJFCV-INIZCTEOSA-N 3 2 295.515 3.103 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001256569322 806917793 /nfs/dbraw/zinc/91/77/93/806917793.db2.gz ASUQMSMAQJWWQJ-GJZGRUSLSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001256569322 806917794 /nfs/dbraw/zinc/91/77/94/806917794.db2.gz ASUQMSMAQJWWQJ-GJZGRUSLSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001256574198 806921017 /nfs/dbraw/zinc/92/10/17/806921017.db2.gz WERVVDZWKJHGBJ-UHFFFAOYSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001256574198 806921019 /nfs/dbraw/zinc/92/10/19/806921019.db2.gz WERVVDZWKJHGBJ-UHFFFAOYSA-N 2 2 250.430 3.124 20 0 CGADLP Cc1cc2ccccc2c(N2CCC[C@H]2C[NH+](C)C)[nH+]1 ZINC001165077736 806968971 /nfs/dbraw/zinc/96/89/71/806968971.db2.gz RAAHMLJXZAEOHQ-HNNXBMFYSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c2ccccc12 ZINC001165236573 806978454 /nfs/dbraw/zinc/97/84/54/806978454.db2.gz KZQFEABMYYFQIT-SFHVURJKSA-N 2 2 281.403 3.123 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+](Cc1ccccc1C1CC1)CC2 ZINC001119825655 802701901 /nfs/dbraw/zinc/70/19/01/802701901.db2.gz YQPYITABNUXVJW-UHFFFAOYSA-N 2 2 279.387 3.100 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+](Cc1ccccc1C1CC1)CC2 ZINC001119825655 802701904 /nfs/dbraw/zinc/70/19/04/802701904.db2.gz YQPYITABNUXVJW-UHFFFAOYSA-N 2 2 279.387 3.100 20 0 CGADLP Oc1cccc(Cl)c1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244033852 803153539 /nfs/dbraw/zinc/15/35/39/803153539.db2.gz UAROOFKIWDRXIJ-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cnccc3C3CC3)c2)C1 ZINC001244284244 803278860 /nfs/dbraw/zinc/27/88/60/803278860.db2.gz RGKCHWOYOZDFGC-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cnccc3C3CC3)c2)C1 ZINC001244284244 803278864 /nfs/dbraw/zinc/27/88/64/803278864.db2.gz RGKCHWOYOZDFGC-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC001136932279 803660634 /nfs/dbraw/zinc/66/06/34/803660634.db2.gz AMINMDKZJFQAOF-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC001136932279 803660635 /nfs/dbraw/zinc/66/06/35/803660635.db2.gz AMINMDKZJFQAOF-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+](Cc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC001137176047 803693293 /nfs/dbraw/zinc/69/32/93/803693293.db2.gz QPTVRESJGCDRLB-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cccc2cccnc21)C1CC[NH+](C)CC1 ZINC001137176047 803693295 /nfs/dbraw/zinc/69/32/95/803693295.db2.gz QPTVRESJGCDRLB-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP c1cn2c(cccc2-c2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001245524126 803789456 /nfs/dbraw/zinc/78/94/56/803789456.db2.gz LAZZOCLNDAULHL-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP COc1ccc(F)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001137997901 803816845 /nfs/dbraw/zinc/81/68/45/803816845.db2.gz IVKUJCOZVZUYBT-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(F)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001137997901 803816855 /nfs/dbraw/zinc/81/68/55/803816855.db2.gz IVKUJCOZVZUYBT-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1c2ccccc2[nH]c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001138399799 803917034 /nfs/dbraw/zinc/91/70/34/803917034.db2.gz CORNXDNRPSLZFD-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245909697 804038389 /nfs/dbraw/zinc/03/83/89/804038389.db2.gz UXZQSJHVBKDYGO-UHFFFAOYSA-N 2 2 281.359 3.204 20 0 CGADLP CC(C)[N@H+](Cc1ccnc(Cl)c1)C1CC[NH+](C)CC1 ZINC001138821570 804046372 /nfs/dbraw/zinc/04/63/72/804046372.db2.gz WDTBOPSXQHRZHA-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1ccnc(Cl)c1)C1CC[NH+](C)CC1 ZINC001138821570 804046380 /nfs/dbraw/zinc/04/63/80/804046380.db2.gz WDTBOPSXQHRZHA-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138826138 804052425 /nfs/dbraw/zinc/05/24/25/804052425.db2.gz PEHXIRUYIYIXGL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138826138 804052435 /nfs/dbraw/zinc/05/24/35/804052435.db2.gz PEHXIRUYIYIXGL-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CCCCOc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001138953663 804084271 /nfs/dbraw/zinc/08/42/71/804084271.db2.gz BKNBFWRYRRSQJZ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCCOc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001138953663 804084281 /nfs/dbraw/zinc/08/42/81/804084281.db2.gz BKNBFWRYRRSQJZ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246087618 804120621 /nfs/dbraw/zinc/12/06/21/804120621.db2.gz GNTXOPPZCNPMIQ-JKSUJKDBSA-N 2 2 270.461 3.094 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246097826 804130588 /nfs/dbraw/zinc/13/05/88/804130588.db2.gz NLVHMSPZWCDOIF-UKRRQHHQSA-N 2 2 282.378 3.221 20 0 CGADLP CC(C)COCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246142719 804164986 /nfs/dbraw/zinc/16/49/86/804164986.db2.gz ONTUJBBVHVICMU-NXHRZFHOSA-N 2 2 290.451 3.130 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246159192 804175519 /nfs/dbraw/zinc/17/55/19/804175519.db2.gz JJGUBHIFBHEYPF-QWRGUYRKSA-N 2 2 284.806 3.406 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCCCC34CC4)cc2)c[nH+]1 ZINC001139362715 804183396 /nfs/dbraw/zinc/18/33/96/804183396.db2.gz NVWGODPXSICAFH-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCCCC34CC4)cc2)c[nH+]1 ZINC001139362715 804183404 /nfs/dbraw/zinc/18/34/04/804183404.db2.gz NVWGODPXSICAFH-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C[NH2+]1 ZINC001246176683 804191237 /nfs/dbraw/zinc/19/12/37/804191237.db2.gz QSNJBROQXWECKB-DYVFJYSZSA-N 2 2 284.378 3.333 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@]2(C)CCC[NH2+]C2)cc1 ZINC001246192097 804199817 /nfs/dbraw/zinc/19/98/17/804199817.db2.gz ZCEISMHMHFGTBJ-GOEBONIOSA-N 2 2 278.465 3.207 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197232 804203745 /nfs/dbraw/zinc/20/37/45/804203745.db2.gz ZVTKHNVMJDZJTC-OLZOCXBDSA-N 2 2 280.378 3.331 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246213406 804210447 /nfs/dbraw/zinc/21/04/47/804210447.db2.gz UVFZOFUZCNQABH-STQMWFEESA-N 2 2 278.827 3.449 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246224433 804218597 /nfs/dbraw/zinc/21/85/97/804218597.db2.gz GGTQBMHYMSGMAP-OCCSQVGLSA-N 2 2 282.378 3.221 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246272304 804250270 /nfs/dbraw/zinc/25/02/70/804250270.db2.gz YNAVSBZHPIFOBC-MNOVXSKESA-N 2 2 288.769 3.238 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309800 804271280 /nfs/dbraw/zinc/27/12/80/804271280.db2.gz XUMMTOWFEKCMKN-USXIJHARSA-N 2 2 260.425 3.485 20 0 CGADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CSCC[NH2+]1 ZINC001246333847 804288896 /nfs/dbraw/zinc/28/88/96/804288896.db2.gz AXXVHZRESHRATK-HNNXBMFYSA-N 2 2 282.497 3.174 20 0 CGADLP CCCCC[C@@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246336462 804290877 /nfs/dbraw/zinc/29/08/77/804290877.db2.gz NFWRBFGDODSDAT-ZIAGYGMSSA-N 2 2 258.475 3.030 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2F)CC[NH2+]1 ZINC001246347594 804297915 /nfs/dbraw/zinc/29/79/15/804297915.db2.gz ALAFTHCREHYWBJ-GJZGRUSLSA-N 2 2 294.414 3.235 20 0 CGADLP Fc1cccc([C@@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246410232 804323015 /nfs/dbraw/zinc/32/30/15/804323015.db2.gz ZIHOHRQKIJTTKE-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@@]1([NH2+][C@@H](C)CSc2ccc(F)cc2)CC[NH2+]C1 ZINC001246459397 804339176 /nfs/dbraw/zinc/33/91/76/804339176.db2.gz JYLJGMXQSKLGSU-SWLSCSKDSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246469142 804347549 /nfs/dbraw/zinc/34/75/49/804347549.db2.gz OZRYFGYLQGVWLP-XKQJLSEDSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C(C)C)c1 ZINC001246469706 804347982 /nfs/dbraw/zinc/34/79/82/804347982.db2.gz FPEKMMGYNAMNJC-BHYGNILZSA-N 2 2 260.425 3.422 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001140023810 804356659 /nfs/dbraw/zinc/35/66/59/804356659.db2.gz YLEFIXGKDZVJDM-CQSZACIVSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001140023810 804356666 /nfs/dbraw/zinc/35/66/66/804356666.db2.gz YLEFIXGKDZVJDM-CQSZACIVSA-N 2 2 269.392 3.413 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535063 804382752 /nfs/dbraw/zinc/38/27/52/804382752.db2.gz VDTWPTHSEVWZHE-BXUZGUMPSA-N 2 2 298.352 3.060 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246535063 804382761 /nfs/dbraw/zinc/38/27/61/804382761.db2.gz VDTWPTHSEVWZHE-BXUZGUMPSA-N 2 2 298.352 3.060 20 0 CGADLP Clc1ccc2c(c1)C[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246536941 804386164 /nfs/dbraw/zinc/38/61/64/804386164.db2.gz HPLKWUQKMTZRLY-INIZCTEOSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246536941 804386170 /nfs/dbraw/zinc/38/61/70/804386170.db2.gz HPLKWUQKMTZRLY-INIZCTEOSA-N 2 2 290.838 3.373 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246539201 804387456 /nfs/dbraw/zinc/38/74/56/804387456.db2.gz CJXGNBFZAKQHNN-WDMOLILDSA-N 2 2 284.806 3.222 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246539201 804387463 /nfs/dbraw/zinc/38/74/63/804387463.db2.gz CJXGNBFZAKQHNN-WDMOLILDSA-N 2 2 284.806 3.222 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246542996 804391439 /nfs/dbraw/zinc/39/14/39/804391439.db2.gz QWBLUEXSHXHXIE-HOCLYGCPSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001246542996 804391448 /nfs/dbraw/zinc/39/14/48/804391448.db2.gz QWBLUEXSHXHXIE-HOCLYGCPSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(C)cc1O ZINC001140196598 804398939 /nfs/dbraw/zinc/39/89/39/804398939.db2.gz RYEUFNZNLKJYAE-UHFFFAOYSA-N 2 2 288.435 3.069 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246564639 804413830 /nfs/dbraw/zinc/41/38/30/804413830.db2.gz FNIBDMRPFDBWDG-VNHYZAJKSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246564639 804413836 /nfs/dbraw/zinc/41/38/36/804413836.db2.gz FNIBDMRPFDBWDG-VNHYZAJKSA-N 2 2 280.843 3.330 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573413 804420729 /nfs/dbraw/zinc/42/07/29/804420729.db2.gz CERLKFDGIOPZOB-CABCVRRESA-N 2 2 256.409 3.274 20 0 CGADLP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246573413 804420733 /nfs/dbraw/zinc/42/07/33/804420733.db2.gz CERLKFDGIOPZOB-CABCVRRESA-N 2 2 256.409 3.274 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)c1O ZINC001140662087 804485532 /nfs/dbraw/zinc/48/55/32/804485532.db2.gz DGGDEQLSFYDQMC-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(C)c1O ZINC001140662087 804485535 /nfs/dbraw/zinc/48/55/35/804485535.db2.gz DGGDEQLSFYDQMC-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664618 804486699 /nfs/dbraw/zinc/48/66/99/804486699.db2.gz NBEWCRQZCKFIFQ-XNRPHZJLSA-N 2 2 278.827 3.084 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246664618 804486701 /nfs/dbraw/zinc/48/67/01/804486701.db2.gz NBEWCRQZCKFIFQ-XNRPHZJLSA-N 2 2 278.827 3.084 20 0 CGADLP CC1CCC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1 ZINC001246666313 804486917 /nfs/dbraw/zinc/48/69/17/804486917.db2.gz SYMOTVSSZYWDPY-NWCILSHNSA-N 2 2 270.420 3.136 20 0 CGADLP CC1CCC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)CC1 ZINC001246666313 804486920 /nfs/dbraw/zinc/48/69/20/804486920.db2.gz SYMOTVSSZYWDPY-NWCILSHNSA-N 2 2 270.420 3.136 20 0 CGADLP COc1ccc(C2CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC001246790368 804513153 /nfs/dbraw/zinc/51/31/53/804513153.db2.gz WEMAKRKUMJEZKQ-WMLDXEAASA-N 2 2 288.435 3.015 20 0 CGADLP Cc1c[nH]c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC001140864163 804536942 /nfs/dbraw/zinc/53/69/42/804536942.db2.gz JVEOIFQLSWXBLC-UHFFFAOYSA-N 2 2 275.440 3.082 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870206 804571243 /nfs/dbraw/zinc/57/12/43/804571243.db2.gz JOBDOOMONSWIRT-UONOGXRCSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870206 804571249 /nfs/dbraw/zinc/57/12/49/804571249.db2.gz JOBDOOMONSWIRT-UONOGXRCSA-N 2 2 278.827 3.229 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001246901805 804588721 /nfs/dbraw/zinc/58/87/21/804588721.db2.gz OZDLWVOLXRBAMX-RISCZKNCSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001246901805 804588725 /nfs/dbraw/zinc/58/87/25/804588725.db2.gz OZDLWVOLXRBAMX-RISCZKNCSA-N 2 2 268.351 3.100 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246909821 804593810 /nfs/dbraw/zinc/59/38/10/804593810.db2.gz QGFMUYJKJRWSQH-CQSZACIVSA-N 2 2 294.389 3.461 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246909821 804593814 /nfs/dbraw/zinc/59/38/14/804593814.db2.gz QGFMUYJKJRWSQH-CQSZACIVSA-N 2 2 294.389 3.461 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246937635 804608398 /nfs/dbraw/zinc/60/83/98/804608398.db2.gz JKFANDBLBIBAQH-KFNAQCHYSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246937635 804608399 /nfs/dbraw/zinc/60/83/99/804608399.db2.gz JKFANDBLBIBAQH-KFNAQCHYSA-N 2 2 278.827 3.009 20 0 CGADLP CCc1ccccc1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001141226553 804614404 /nfs/dbraw/zinc/61/44/04/804614404.db2.gz CAKATIJFHNCCQO-UHFFFAOYSA-N 2 2 284.447 3.167 20 0 CGADLP CCc1ccccc1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001141226553 804614408 /nfs/dbraw/zinc/61/44/08/804614408.db2.gz CAKATIJFHNCCQO-UHFFFAOYSA-N 2 2 284.447 3.167 20 0 CGADLP c1cc(C[N@H+]([C@@H]2CCC[NH2+]C2)C2CCCCCC2)ccn1 ZINC001246949672 804616329 /nfs/dbraw/zinc/61/63/29/804616329.db2.gz PBEXODVLEJWYCY-GOSISDBHSA-N 2 2 287.451 3.358 20 0 CGADLP c1cc(C[N@@H+]([C@@H]2CCC[NH2+]C2)C2CCCCCC2)ccn1 ZINC001246949672 804616334 /nfs/dbraw/zinc/61/63/34/804616334.db2.gz PBEXODVLEJWYCY-GOSISDBHSA-N 2 2 287.451 3.358 20 0 CGADLP CCC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC001141243258 804622705 /nfs/dbraw/zinc/62/27/05/804622705.db2.gz BODHUDWQBQWVKI-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP CCC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC001141243258 804622710 /nfs/dbraw/zinc/62/27/10/804622710.db2.gz BODHUDWQBQWVKI-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977416 804624497 /nfs/dbraw/zinc/62/44/97/804624497.db2.gz HIAFDWTWRWTOAT-WCXIOVBPSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977416 804624501 /nfs/dbraw/zinc/62/45/01/804624501.db2.gz HIAFDWTWRWTOAT-WCXIOVBPSA-N 2 2 276.468 3.418 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC001141484943 804646872 /nfs/dbraw/zinc/64/68/72/804646872.db2.gz HBYXRRYAYJLINT-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC001141484943 804646875 /nfs/dbraw/zinc/64/68/75/804646875.db2.gz HBYXRRYAYJLINT-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2cc(F)ccc2n1 ZINC001141652538 804662752 /nfs/dbraw/zinc/66/27/52/804662752.db2.gz OFPGPJWRQZYWPZ-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2cc(F)ccc2n1 ZINC001141652538 804662755 /nfs/dbraw/zinc/66/27/55/804662755.db2.gz OFPGPJWRQZYWPZ-UHFFFAOYSA-N 2 2 298.365 3.093 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256832064 806990086 /nfs/dbraw/zinc/99/00/86/806990086.db2.gz WCTKJPQCDVCZMN-MSOLQXFVSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256832064 806990093 /nfs/dbraw/zinc/99/00/93/806990093.db2.gz WCTKJPQCDVCZMN-MSOLQXFVSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@H+](Cc1cccc2nc(C)ccc12)C1CC[NH+](C)CC1 ZINC001248565536 804952523 /nfs/dbraw/zinc/95/25/23/804952523.db2.gz STWMLNDGNDXWCM-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@@H+](Cc1cccc2nc(C)ccc12)C1CC[NH+](C)CC1 ZINC001248565536 804952529 /nfs/dbraw/zinc/95/25/29/804952529.db2.gz STWMLNDGNDXWCM-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001249479606 805158757 /nfs/dbraw/zinc/15/87/57/805158757.db2.gz KFAGKILBVBACLA-KRWDZBQOSA-N 2 2 299.418 3.361 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001249479606 805158765 /nfs/dbraw/zinc/15/87/65/805158765.db2.gz KFAGKILBVBACLA-KRWDZBQOSA-N 2 2 299.418 3.361 20 0 CGADLP CN(Cc1ccccc1)c1ccc(CCC[NH+](C)C)c[nH+]1 ZINC001250161018 805452619 /nfs/dbraw/zinc/45/26/19/805452619.db2.gz LMGCWDYAOLLKEN-UHFFFAOYSA-N 2 2 283.419 3.212 20 0 CGADLP CCSc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1 ZINC001155029377 805526096 /nfs/dbraw/zinc/52/60/96/805526096.db2.gz KXRVBIHLOZZWDN-STQMWFEESA-N 2 2 279.453 3.241 20 0 CGADLP CSc1cc[nH+]c(N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165323529 806993631 /nfs/dbraw/zinc/99/36/31/806993631.db2.gz QQSJDALUEMUQFH-HNNXBMFYSA-N 2 2 291.464 3.162 20 0 CGADLP CCC(CC)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001257290160 807088418 /nfs/dbraw/zinc/08/84/18/807088418.db2.gz NQRBZJIXPYYHDP-ZDUSSCGKSA-N 2 2 285.229 3.227 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001257222209 807066280 /nfs/dbraw/zinc/06/62/80/807066280.db2.gz WXNZTCIROAFJRC-UHFFFAOYSA-N 2 2 282.447 3.463 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001257222209 807066286 /nfs/dbraw/zinc/06/62/86/807066286.db2.gz WXNZTCIROAFJRC-UHFFFAOYSA-N 2 2 282.447 3.463 20 0 CGADLP CCC[C@H](CC)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257272362 807084733 /nfs/dbraw/zinc/08/47/33/807084733.db2.gz WTVBIZFYDMFNND-GJZGRUSLSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](CC)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257272362 807084738 /nfs/dbraw/zinc/08/47/38/807084738.db2.gz WTVBIZFYDMFNND-GJZGRUSLSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257306489 807098700 /nfs/dbraw/zinc/09/87/00/807098700.db2.gz UAWXCZOFOLKDFP-HNNXBMFYSA-N 2 2 290.451 3.438 20 0 CGADLP Cc1cc(Cl)c(C)c(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC001166903486 807112381 /nfs/dbraw/zinc/11/23/81/807112381.db2.gz VTLVVYRKHDMDDG-OAHLLOKOSA-N 2 2 293.842 3.320 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001257431773 807153754 /nfs/dbraw/zinc/15/37/54/807153754.db2.gz MEHNJIJHNITZPF-CQSZACIVSA-N 2 2 278.415 3.487 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257475097 807173854 /nfs/dbraw/zinc/17/38/54/807173854.db2.gz JNMCPFAJKMCVEG-IKGGRYGDSA-N 2 2 296.499 3.434 20 0 CGADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257475097 807173856 /nfs/dbraw/zinc/17/38/56/807173856.db2.gz JNMCPFAJKMCVEG-IKGGRYGDSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@@H]1CC([N@@H+]2CC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039490 807303267 /nfs/dbraw/zinc/30/32/67/807303267.db2.gz FYEPAEXEKYSQIP-INMHGKMJSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1CC([N@H+]2CC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039490 807303274 /nfs/dbraw/zinc/30/32/74/807303274.db2.gz FYEPAEXEKYSQIP-INMHGKMJSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001168468365 807426979 /nfs/dbraw/zinc/42/69/79/807426979.db2.gz NTBATQDJEXAFAJ-KDOFPFPSSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001168468365 807426986 /nfs/dbraw/zinc/42/69/86/807426986.db2.gz NTBATQDJEXAFAJ-KDOFPFPSSA-N 2 2 290.426 3.221 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC001168470375 807427797 /nfs/dbraw/zinc/42/77/97/807427797.db2.gz XVHBCMIJTXDGJC-YOEHRIQHSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC001168470375 807427802 /nfs/dbraw/zinc/42/78/02/807427802.db2.gz XVHBCMIJTXDGJC-YOEHRIQHSA-N 2 2 278.415 3.077 20 0 CGADLP Cc1cc[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c1C ZINC001168543878 807441697 /nfs/dbraw/zinc/44/16/97/807441697.db2.gz GIHRLJFJHOXANV-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258663760 807531449 /nfs/dbraw/zinc/53/14/49/807531449.db2.gz YGIFSJBGCZDHBT-OTWHNJEPSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258663760 807531453 /nfs/dbraw/zinc/53/14/53/807531453.db2.gz YGIFSJBGCZDHBT-OTWHNJEPSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258663760 807531459 /nfs/dbraw/zinc/53/14/59/807531459.db2.gz YGIFSJBGCZDHBT-OTWHNJEPSA-N 2 2 286.463 3.424 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258663760 807531462 /nfs/dbraw/zinc/53/14/62/807531462.db2.gz YGIFSJBGCZDHBT-OTWHNJEPSA-N 2 2 286.463 3.424 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H]1C[C@H](C)CC(C)(C)C1)CC[NH2+]CC2 ZINC001258697909 807551976 /nfs/dbraw/zinc/55/19/76/807551976.db2.gz UGUKWUKCYHSBGT-GXTWGEPZSA-N 2 2 275.440 3.267 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001169051167 807559876 /nfs/dbraw/zinc/55/98/76/807559876.db2.gz VDDZDJKEUWCVOD-RDJZCZTQSA-N 2 2 262.441 3.184 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258742288 807585915 /nfs/dbraw/zinc/58/59/15/807585915.db2.gz VHMCCPGOEJCCKA-BBRMVZONSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258742288 807585918 /nfs/dbraw/zinc/58/59/18/807585918.db2.gz VHMCCPGOEJCCKA-BBRMVZONSA-N 2 2 292.854 3.487 20 0 CGADLP CCC[NH+]1CCC([NH+]2CCC3(CCC(C)(C)O3)CC2)CC1 ZINC001258776539 807606073 /nfs/dbraw/zinc/60/60/73/807606073.db2.gz DFAGWUUNCMHEPI-UHFFFAOYSA-N 2 2 294.483 3.284 20 0 CGADLP CC[C@@H](C)C[C@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258790897 807615364 /nfs/dbraw/zinc/61/53/64/807615364.db2.gz OANAAOOLPDCQFW-OCCSQVGLSA-N 2 2 263.429 3.267 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001258802252 807622289 /nfs/dbraw/zinc/62/22/89/807622289.db2.gz JNGJCDRAJLYMPF-JCYILVPMSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001258802252 807622293 /nfs/dbraw/zinc/62/22/93/807622293.db2.gz JNGJCDRAJLYMPF-JCYILVPMSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1C[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001170194685 807791140 /nfs/dbraw/zinc/79/11/40/807791140.db2.gz XUCMWYORSRBKSD-JKSUJKDBSA-N 2 2 285.391 3.139 20 0 CGADLP CC[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239436 807799862 /nfs/dbraw/zinc/79/98/62/807799862.db2.gz NCJVZOXWKRBUAZ-MSOLQXFVSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239436 807799865 /nfs/dbraw/zinc/79/98/65/807799865.db2.gz NCJVZOXWKRBUAZ-MSOLQXFVSA-N 2 2 299.418 3.262 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660142 807870707 /nfs/dbraw/zinc/87/07/07/807870707.db2.gz TVLPJBZUZUZWST-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660142 807870714 /nfs/dbraw/zinc/87/07/14/807870714.db2.gz TVLPJBZUZUZWST-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116368 807988887 /nfs/dbraw/zinc/98/88/87/807988887.db2.gz OJRYAAJKYAFEGN-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171116368 807988893 /nfs/dbraw/zinc/98/88/93/807988893.db2.gz OJRYAAJKYAFEGN-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171338799 808032070 /nfs/dbraw/zinc/03/20/70/808032070.db2.gz GIXVFGREBHGBOR-OAHLLOKOSA-N 2 2 275.440 3.395 20 0 CGADLP Cc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)o1 ZINC001171617635 808105108 /nfs/dbraw/zinc/10/51/08/808105108.db2.gz OXIYRTRQDPIDNE-UHFFFAOYSA-N 2 2 264.413 3.329 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171971738 808163029 /nfs/dbraw/zinc/16/30/29/808163029.db2.gz JTRRIDDIXXTGMF-ARFHVFGLSA-N 2 2 276.399 3.130 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171971738 808163032 /nfs/dbraw/zinc/16/30/32/808163032.db2.gz JTRRIDDIXXTGMF-ARFHVFGLSA-N 2 2 276.399 3.130 20 0 CGADLP CC(C)OCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172443312 808318660 /nfs/dbraw/zinc/31/86/60/808318660.db2.gz MXZRWFBDQNYGCH-OAHLLOKOSA-N 2 2 292.423 3.128 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC(C)(C)O1 ZINC001172653728 808408860 /nfs/dbraw/zinc/40/88/60/808408860.db2.gz NNFLOIMBNJZNHH-HNNXBMFYSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC(C)(C)O1 ZINC001172653728 808408862 /nfs/dbraw/zinc/40/88/62/808408862.db2.gz NNFLOIMBNJZNHH-HNNXBMFYSA-N 2 2 294.483 3.187 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172722997 808420350 /nfs/dbraw/zinc/42/03/50/808420350.db2.gz DIDXZJCYINCYJZ-INIZCTEOSA-N 2 2 289.810 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172722997 808420354 /nfs/dbraw/zinc/42/03/54/808420354.db2.gz DIDXZJCYINCYJZ-INIZCTEOSA-N 2 2 289.810 3.026 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001172825341 808447290 /nfs/dbraw/zinc/44/72/90/808447290.db2.gz GHFZQRDAKHZKAX-IBGZPJMESA-N 2 2 286.463 3.318 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172826657 808448128 /nfs/dbraw/zinc/44/81/28/808448128.db2.gz WRKPSHRGBXRVEP-GOSISDBHSA-N 2 2 274.452 3.174 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172826657 808448134 /nfs/dbraw/zinc/44/81/34/808448134.db2.gz WRKPSHRGBXRVEP-GOSISDBHSA-N 2 2 274.452 3.174 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172837796 808453673 /nfs/dbraw/zinc/45/36/73/808453673.db2.gz PHGXQKAPHXXINE-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172837796 808453678 /nfs/dbraw/zinc/45/36/78/808453678.db2.gz PHGXQKAPHXXINE-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198625 808534445 /nfs/dbraw/zinc/53/44/45/808534445.db2.gz XNBNROKBBDKFOA-PQUAAJSLSA-N 2 2 288.435 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198625 808534449 /nfs/dbraw/zinc/53/44/49/808534449.db2.gz XNBNROKBBDKFOA-PQUAAJSLSA-N 2 2 288.435 3.060 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001173235988 808544871 /nfs/dbraw/zinc/54/48/71/808544871.db2.gz DGXIOGUSFDONGW-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001173235988 808544877 /nfs/dbraw/zinc/54/48/77/808544877.db2.gz DGXIOGUSFDONGW-QAPCUYQASA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001173273227 808577181 /nfs/dbraw/zinc/57/71/81/808577181.db2.gz MTRCXAVLKKLIHS-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001173273227 808577185 /nfs/dbraw/zinc/57/71/85/808577185.db2.gz MTRCXAVLKKLIHS-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP c1cn2cc(Nc3cc[nH+]c4ccccc34)ccc2[nH+]1 ZINC001174037383 808834421 /nfs/dbraw/zinc/83/44/21/808834421.db2.gz RGPWJJNFENJWME-UHFFFAOYSA-N 2 2 260.300 3.048 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275145783 808917402 /nfs/dbraw/zinc/91/74/02/808917402.db2.gz QCPGUOBPVHZFIK-INIZCTEOSA-N 2 2 264.457 3.397 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275145783 808917410 /nfs/dbraw/zinc/91/74/10/808917410.db2.gz QCPGUOBPVHZFIK-INIZCTEOSA-N 2 2 264.457 3.397 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc(Cl)ccc3F)(C1)CCC2 ZINC001276577654 809017822 /nfs/dbraw/zinc/01/78/22/809017822.db2.gz BTONLSOXMDKEQE-LSDHHAIUSA-N 2 2 297.805 3.029 20 0 CGADLP C1CCC([NH+]2CCO[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001277930577 809106205 /nfs/dbraw/zinc/10/62/05/809106205.db2.gz OWHPOYLDFPNCIT-GOSISDBHSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCO[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001277930577 809106208 /nfs/dbraw/zinc/10/62/08/809106208.db2.gz OWHPOYLDFPNCIT-GOSISDBHSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCC[C@@]3(C2)C[N@@H+](C2CCCC2)CCO3)C1 ZINC001277930577 809106212 /nfs/dbraw/zinc/10/62/12/809106212.db2.gz OWHPOYLDFPNCIT-GOSISDBHSA-N 2 2 292.467 3.038 20 0 CGADLP C1CCC([NH+]2CCC[C@@]3(C2)C[N@H+](C2CCCC2)CCO3)C1 ZINC001277930577 809106217 /nfs/dbraw/zinc/10/62/17/809106217.db2.gz OWHPOYLDFPNCIT-GOSISDBHSA-N 2 2 292.467 3.038 20 0 CGADLP CCc1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001174815513 809170266 /nfs/dbraw/zinc/17/02/66/809170266.db2.gz JUJGOIWWLPVSDA-UHFFFAOYSA-N 2 2 296.418 3.139 20 0 CGADLP Cc1cc(C)[nH+]c(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001175859403 809560278 /nfs/dbraw/zinc/56/02/78/809560278.db2.gz VEPXJBICCXSMFS-UHFFFAOYSA-N 2 2 297.402 3.274 20 0 CGADLP Cc1cccc(Nc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001176222741 809650180 /nfs/dbraw/zinc/65/01/80/809650180.db2.gz ODYPZDKYQOOOFO-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP CC(C)c1ccc2c(c1)CC[N@@H+](CCc1c[nH+]cn1C)C2 ZINC001177028018 809775905 /nfs/dbraw/zinc/77/59/05/809775905.db2.gz SYDSRZVFMMDENG-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP CC(C)c1ccc2c(c1)CC[N@H+](CCc1c[nH+]cn1C)C2 ZINC001177028018 809775910 /nfs/dbraw/zinc/77/59/10/809775910.db2.gz SYDSRZVFMMDENG-UHFFFAOYSA-N 2 2 283.419 3.144 20 0 CGADLP c1ccc2c(c1)CCC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001177235670 809789214 /nfs/dbraw/zinc/78/92/14/809789214.db2.gz HYRORZKIJVLTLA-IBGZPJMESA-N 2 2 286.463 3.400 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001182634971 810118601 /nfs/dbraw/zinc/11/86/01/810118601.db2.gz UQOSOLAUJJSPGN-RTBURBONSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001182634971 810118602 /nfs/dbraw/zinc/11/86/02/810118602.db2.gz UQOSOLAUJJSPGN-RTBURBONSA-N 2 2 286.463 3.452 20 0 CGADLP COc1cc(C)ccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001184198367 810182071 /nfs/dbraw/zinc/18/20/71/810182071.db2.gz WUCVTZBSNCBFNU-UHFFFAOYSA-N 2 2 278.440 3.023 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001184198367 810182073 /nfs/dbraw/zinc/18/20/73/810182073.db2.gz WUCVTZBSNCBFNU-UHFFFAOYSA-N 2 2 278.440 3.023 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194280290 811045587 /nfs/dbraw/zinc/04/55/87/811045587.db2.gz TUDBUCXYFLFXAU-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194280290 811045595 /nfs/dbraw/zinc/04/55/95/811045595.db2.gz TUDBUCXYFLFXAU-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199295221 811571190 /nfs/dbraw/zinc/57/11/90/811571190.db2.gz GPXZDFIOGWQIMA-BPKGMFCQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[N@H+]1CCCC[C@H]1C ZINC001199295221 811571195 /nfs/dbraw/zinc/57/11/95/811571195.db2.gz GPXZDFIOGWQIMA-BPKGMFCQSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201497031 811866802 /nfs/dbraw/zinc/86/68/02/811866802.db2.gz TZPSHTRTTOCOFH-ULQDDVLXSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201497031 811866810 /nfs/dbraw/zinc/86/68/10/811866810.db2.gz TZPSHTRTTOCOFH-ULQDDVLXSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201497031 811866817 /nfs/dbraw/zinc/86/68/17/811866817.db2.gz TZPSHTRTTOCOFH-ULQDDVLXSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201497031 811866825 /nfs/dbraw/zinc/86/68/25/811866825.db2.gz TZPSHTRTTOCOFH-ULQDDVLXSA-N 2 2 264.457 3.395 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001202175981 812029254 /nfs/dbraw/zinc/02/92/54/812029254.db2.gz GMRCIOFOENEHMJ-ZSHCYNCHSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001202175981 812029262 /nfs/dbraw/zinc/02/92/62/812029262.db2.gz GMRCIOFOENEHMJ-ZSHCYNCHSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001202987299 812214561 /nfs/dbraw/zinc/21/45/61/812214561.db2.gz WYBQBUQLXUIFGN-WCXIOVBPSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001202987299 812214567 /nfs/dbraw/zinc/21/45/67/812214567.db2.gz WYBQBUQLXUIFGN-WCXIOVBPSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(Nc2cc[nH+]c(N3CCCC3)c2)c(C)[nH+]1 ZINC001203369874 812327830 /nfs/dbraw/zinc/32/78/30/812327830.db2.gz DOAXQVUJHZIOTJ-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP CCO[C@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)C[NH+](C)C ZINC001203634065 812412064 /nfs/dbraw/zinc/41/20/64/812412064.db2.gz OYGFWHSOJFHIKK-CYBMUJFWSA-N 2 2 298.496 3.102 20 0 CGADLP Cc1cccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001203893140 812482542 /nfs/dbraw/zinc/48/25/42/812482542.db2.gz XJCBVMSSPWCKKP-UHFFFAOYSA-N 2 2 258.409 3.054 20 0 CGADLP Cc1cccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001203893140 812482546 /nfs/dbraw/zinc/48/25/46/812482546.db2.gz XJCBVMSSPWCKKP-UHFFFAOYSA-N 2 2 258.409 3.054 20 0 CGADLP c1cn(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c[nH+]1 ZINC001204048674 812533245 /nfs/dbraw/zinc/53/32/45/812533245.db2.gz OHCFJBYDEOMIRY-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(SC)o1 ZINC001204111132 812551872 /nfs/dbraw/zinc/55/18/72/812551872.db2.gz PGYKIXVJMZWCHK-LBPRGKRZSA-N 2 2 270.442 3.212 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(F)c1 ZINC001204593410 812684102 /nfs/dbraw/zinc/68/41/02/812684102.db2.gz RBBYHOKPNDQXLE-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(F)c1 ZINC001204593410 812684106 /nfs/dbraw/zinc/68/41/06/812684106.db2.gz RBBYHOKPNDQXLE-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(F)c1 ZINC001204593410 812684110 /nfs/dbraw/zinc/68/41/10/812684110.db2.gz RBBYHOKPNDQXLE-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(F)c1 ZINC001204593410 812684113 /nfs/dbraw/zinc/68/41/13/812684113.db2.gz RBBYHOKPNDQXLE-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP c1ccc(OCc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204684243 812708307 /nfs/dbraw/zinc/70/83/07/812708307.db2.gz HNALLUFUOSXMKP-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP c1ccc(OCc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204684243 812708313 /nfs/dbraw/zinc/70/83/13/812708313.db2.gz HNALLUFUOSXMKP-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP C[N@H+](CC[NH3+])Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001204699864 812712322 /nfs/dbraw/zinc/71/23/22/812712322.db2.gz SPMGPXSYIKHWTQ-UHFFFAOYSA-N 2 2 279.387 3.225 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001204699864 812712330 /nfs/dbraw/zinc/71/23/30/812712330.db2.gz SPMGPXSYIKHWTQ-UHFFFAOYSA-N 2 2 279.387 3.225 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877503 812760284 /nfs/dbraw/zinc/76/02/84/812760284.db2.gz KXTAFMPJVCGUCG-ZDUSSCGKSA-N 2 2 285.435 3.389 20 0 CGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877503 812760289 /nfs/dbraw/zinc/76/02/89/812760289.db2.gz KXTAFMPJVCGUCG-ZDUSSCGKSA-N 2 2 285.435 3.389 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204885185 812763817 /nfs/dbraw/zinc/76/38/17/812763817.db2.gz MOSDAOZRSAUYEW-HNNXBMFYSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204885185 812763822 /nfs/dbraw/zinc/76/38/22/812763822.db2.gz MOSDAOZRSAUYEW-HNNXBMFYSA-N 2 2 276.424 3.014 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2SC)C1 ZINC001205018774 812827416 /nfs/dbraw/zinc/82/74/16/812827416.db2.gz ZAVAEDRXIUOPRN-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2SC)C1 ZINC001205018774 812827427 /nfs/dbraw/zinc/82/74/27/812827427.db2.gz ZAVAEDRXIUOPRN-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205068362 812846517 /nfs/dbraw/zinc/84/65/17/812846517.db2.gz HPMQFBDNYLMDJT-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205068362 812846523 /nfs/dbraw/zinc/84/65/23/812846523.db2.gz HPMQFBDNYLMDJT-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)s1 ZINC001205324436 812955198 /nfs/dbraw/zinc/95/51/98/812955198.db2.gz BLBCBVYMZIXPRS-CYBMUJFWSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)s1 ZINC001205324436 812955203 /nfs/dbraw/zinc/95/52/03/812955203.db2.gz BLBCBVYMZIXPRS-CYBMUJFWSA-N 2 2 266.454 3.275 20 0 CGADLP CCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1CC ZINC001205814841 813091598 /nfs/dbraw/zinc/09/15/98/813091598.db2.gz DPJJMODYXOSXHM-PBHICJAKSA-N 2 2 290.451 3.207 20 0 CGADLP CCOc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1CC ZINC001205814841 813091604 /nfs/dbraw/zinc/09/16/04/813091604.db2.gz DPJJMODYXOSXHM-PBHICJAKSA-N 2 2 290.451 3.207 20 0 CGADLP CCc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(CC)c1O ZINC001205826571 813097828 /nfs/dbraw/zinc/09/78/28/813097828.db2.gz AIOVFCJDINFWIL-DYVFJYSZSA-N 2 2 290.451 3.076 20 0 CGADLP CCc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(CC)c1O ZINC001205826571 813097838 /nfs/dbraw/zinc/09/78/38/813097838.db2.gz AIOVFCJDINFWIL-DYVFJYSZSA-N 2 2 290.451 3.076 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205842851 813104195 /nfs/dbraw/zinc/10/41/95/813104195.db2.gz PQKRICNAAXLTKB-KSSFIOAISA-N 2 2 298.430 3.408 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205842851 813104198 /nfs/dbraw/zinc/10/41/98/813104198.db2.gz PQKRICNAAXLTKB-KSSFIOAISA-N 2 2 298.430 3.408 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205856893 813109471 /nfs/dbraw/zinc/10/94/71/813109471.db2.gz ZGGQKJJSNQHTGF-PBHICJAKSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205856893 813109474 /nfs/dbraw/zinc/10/94/74/813109474.db2.gz ZGGQKJJSNQHTGF-PBHICJAKSA-N 2 2 290.451 3.341 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901170 813122619 /nfs/dbraw/zinc/12/26/19/813122619.db2.gz BNNMMMCNRPBJPR-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901170 813122623 /nfs/dbraw/zinc/12/26/23/813122623.db2.gz BNNMMMCNRPBJPR-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931274 813138745 /nfs/dbraw/zinc/13/87/45/813138745.db2.gz ILYOXPOINCVKAP-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205931274 813138750 /nfs/dbraw/zinc/13/87/50/813138750.db2.gz ILYOXPOINCVKAP-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC001206043501 813179513 /nfs/dbraw/zinc/17/95/13/813179513.db2.gz IBVFEIOKBCQHIG-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC001206043501 813179517 /nfs/dbraw/zinc/17/95/17/813179517.db2.gz IBVFEIOKBCQHIG-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC001206058514 813185305 /nfs/dbraw/zinc/18/53/05/813185305.db2.gz BASGTIWXCCAEFG-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC001206058514 813185311 /nfs/dbraw/zinc/18/53/11/813185311.db2.gz BASGTIWXCCAEFG-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206213406 813242809 /nfs/dbraw/zinc/24/28/09/813242809.db2.gz VCKRQYWPSSBFMR-KBPBESRZSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206213406 813242811 /nfs/dbraw/zinc/24/28/11/813242811.db2.gz VCKRQYWPSSBFMR-KBPBESRZSA-N 2 2 288.769 3.049 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)s1 ZINC001206258368 813259890 /nfs/dbraw/zinc/25/98/90/813259890.db2.gz XLFOSAKPFWDQAR-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)s1 ZINC001206258368 813259896 /nfs/dbraw/zinc/25/98/96/813259896.db2.gz XLFOSAKPFWDQAR-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344270 813296017 /nfs/dbraw/zinc/29/60/17/813296017.db2.gz PYPQFHRPTHWTDC-QGZVFWFLSA-N 2 2 294.414 3.127 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344270 813296022 /nfs/dbraw/zinc/29/60/22/813296022.db2.gz PYPQFHRPTHWTDC-QGZVFWFLSA-N 2 2 294.414 3.127 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001206640302 813383440 /nfs/dbraw/zinc/38/34/40/813383440.db2.gz ILRSVIYURPVOPZ-GFCCVEGCSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Cl ZINC001206640302 813383447 /nfs/dbraw/zinc/38/34/47/813383447.db2.gz ILRSVIYURPVOPZ-GFCCVEGCSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1cn2cc(Nc3c[nH+]c(N(C)C)cc3C)ccc2[nH+]1 ZINC001206730315 813410343 /nfs/dbraw/zinc/41/03/43/813410343.db2.gz ZUGBDYUPVJHJMO-UHFFFAOYSA-N 2 2 281.363 3.156 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC001206776948 813435155 /nfs/dbraw/zinc/43/51/55/813435155.db2.gz KNFBERPMXCJWSO-QGZVFWFLSA-N 2 2 262.441 3.483 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC001206776948 813435161 /nfs/dbraw/zinc/43/51/61/813435161.db2.gz KNFBERPMXCJWSO-QGZVFWFLSA-N 2 2 262.441 3.483 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207131332 813492830 /nfs/dbraw/zinc/49/28/30/813492830.db2.gz GHSWKGHBCZDWFQ-HOTGVXAUSA-N 2 2 294.389 3.398 20 0 CGADLP C[C@H](C[NH+]1CCC([NH+]2CCC(F)CC2)CC1)C(F)(F)F ZINC001208906599 813895108 /nfs/dbraw/zinc/89/51/08/813895108.db2.gz YRTWQVAGNVKNNM-LLVKDONJSA-N 2 2 296.352 3.083 20 0 CGADLP C[C@H]1C[C@@H]1C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209431367 814031255 /nfs/dbraw/zinc/03/12/55/814031255.db2.gz OKGMEAZXKLHBMW-GOEBONIOSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@H]1C[C@@H]1C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209431367 814031258 /nfs/dbraw/zinc/03/12/58/814031258.db2.gz OKGMEAZXKLHBMW-GOEBONIOSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C(=O)CC[N@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC001209454859 814047389 /nfs/dbraw/zinc/04/73/89/814047389.db2.gz VVDOUFFVEZJKPW-MRXNPFEDSA-N 2 2 292.467 3.086 20 0 CGADLP C[C@@H]1C(=O)CC[N@@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC001209454859 814047399 /nfs/dbraw/zinc/04/73/99/814047399.db2.gz VVDOUFFVEZJKPW-MRXNPFEDSA-N 2 2 292.467 3.086 20 0 CGADLP c1cc2cc[nH+]cc2c(Nc2cc[nH+]c3c2CCC3)c1 ZINC001210224640 814352580 /nfs/dbraw/zinc/35/25/80/814352580.db2.gz UHHAYSMQFLGJBJ-UHFFFAOYSA-N 2 2 261.328 3.284 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC001210497087 814489941 /nfs/dbraw/zinc/48/99/41/814489941.db2.gz KPRKATBHJDIPOY-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC001210497087 814489947 /nfs/dbraw/zinc/48/99/47/814489947.db2.gz KPRKATBHJDIPOY-AWEZNQCLSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3ccsc3c2)CC[NH2+]1 ZINC001210497705 814490421 /nfs/dbraw/zinc/49/04/21/814490421.db2.gz NOACWUJEFHELSO-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3ccsc3c2)CC[NH2+]1 ZINC001210497705 814490425 /nfs/dbraw/zinc/49/04/25/814490425.db2.gz NOACWUJEFHELSO-GFCCVEGCSA-N 2 2 260.406 3.085 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cnc1-c1ccccc1 ZINC001210519858 814505568 /nfs/dbraw/zinc/50/55/68/814505568.db2.gz UBEJGTRCGPSPPL-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)cnc1-c1ccccc1 ZINC001210519858 814505571 /nfs/dbraw/zinc/50/55/71/814505571.db2.gz UBEJGTRCGPSPPL-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccccc2CCc2ccccc2)C1 ZINC001210561844 814527473 /nfs/dbraw/zinc/52/74/73/814527473.db2.gz WJOQOMSHJGDTGH-UHFFFAOYSA-N 2 2 294.442 3.123 20 0 CGADLP c1cn(-c2ccc(O[C@@H]3C[NH2+]Cc4ccccc43)cc2)c[nH+]1 ZINC001218486140 816240927 /nfs/dbraw/zinc/24/09/27/816240927.db2.gz CHTZLBKMXKDASR-GOSISDBHSA-N 2 2 291.354 3.096 20 0 CGADLP Fc1ccc(CC[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1F ZINC001222287397 816397097 /nfs/dbraw/zinc/39/70/97/816397097.db2.gz IUTTXMHSZWTVEN-UHFFFAOYSA-N 2 2 294.389 3.115 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222347158 816415030 /nfs/dbraw/zinc/41/50/30/816415030.db2.gz YBPCEWKPPLNKPN-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222347158 816415036 /nfs/dbraw/zinc/41/50/36/816415036.db2.gz YBPCEWKPPLNKPN-LJQANCHMSA-N 2 2 297.446 3.448 20 0 CGADLP Cn1ccc2ccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc21 ZINC001222389607 816429157 /nfs/dbraw/zinc/42/91/57/816429157.db2.gz CQHXWDNVZREFQV-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)cc21 ZINC001222389607 816429160 /nfs/dbraw/zinc/42/91/60/816429160.db2.gz CQHXWDNVZREFQV-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)o1 ZINC001222420873 816439628 /nfs/dbraw/zinc/43/96/28/816439628.db2.gz HTWKQUPIUASKQH-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)o1 ZINC001222420873 816439630 /nfs/dbraw/zinc/43/96/30/816439630.db2.gz HTWKQUPIUASKQH-YOEHRIQHSA-N 2 2 276.424 3.300 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434441 816443734 /nfs/dbraw/zinc/44/37/34/816443734.db2.gz JOQGFZGJLSTCFH-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434441 816443742 /nfs/dbraw/zinc/44/37/42/816443742.db2.gz JOQGFZGJLSTCFH-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)s1 ZINC001222477650 816453308 /nfs/dbraw/zinc/45/33/08/816453308.db2.gz PAXVPLPLYTTXLJ-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)s1 ZINC001222477650 816453311 /nfs/dbraw/zinc/45/33/11/816453311.db2.gz PAXVPLPLYTTXLJ-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001242996384 823204088 /nfs/dbraw/zinc/20/40/88/823204088.db2.gz YQBXLUCCWDEHRN-UHFFFAOYSA-N 2 2 263.344 3.463 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2c[nH+]cn2C)ccc1F ZINC001243071821 823235606 /nfs/dbraw/zinc/23/56/06/823235606.db2.gz GPOHXTMKWZEKAO-UHFFFAOYSA-N 2 2 261.344 3.068 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226785397 817462959 /nfs/dbraw/zinc/46/29/59/817462959.db2.gz RSLFQKUCYAPJBE-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)s1 ZINC001231503189 818116291 /nfs/dbraw/zinc/11/62/91/818116291.db2.gz SEDSTNCINXCDFA-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)s1 ZINC001231503189 818116296 /nfs/dbraw/zinc/11/62/96/818116296.db2.gz SEDSTNCINXCDFA-UHFFFAOYSA-N 2 2 266.454 3.227 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)n1 ZINC001232083148 818248445 /nfs/dbraw/zinc/24/84/45/818248445.db2.gz SDBBKKCCTSWAPC-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C)n1 ZINC001232083148 818248451 /nfs/dbraw/zinc/24/84/51/818248451.db2.gz SDBBKKCCTSWAPC-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP CSc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC001232346897 818323509 /nfs/dbraw/zinc/32/35/09/818323509.db2.gz MVGAULLOOLWZOE-UHFFFAOYSA-N 2 2 293.480 3.030 20 0 CGADLP CSc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC001232346897 818323519 /nfs/dbraw/zinc/32/35/19/818323519.db2.gz MVGAULLOOLWZOE-UHFFFAOYSA-N 2 2 293.480 3.030 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001232781869 818438147 /nfs/dbraw/zinc/43/81/47/818438147.db2.gz ATENHAKQXDWSAO-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)cc1F)C1CC[NH+](C)CC1 ZINC001232781869 818438149 /nfs/dbraw/zinc/43/81/49/818438149.db2.gz ATENHAKQXDWSAO-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@H+](Cc1ccccc1-n1cccc1)C1CC[NH+](C)CC1 ZINC001232910359 818472496 /nfs/dbraw/zinc/47/24/96/818472496.db2.gz JOYGAGJUUCENSS-UHFFFAOYSA-N 2 2 297.446 3.393 20 0 CGADLP CC[N@@H+](Cc1ccccc1-n1cccc1)C1CC[NH+](C)CC1 ZINC001232910359 818472499 /nfs/dbraw/zinc/47/24/99/818472499.db2.gz JOYGAGJUUCENSS-UHFFFAOYSA-N 2 2 297.446 3.393 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@H]2C1 ZINC001233250911 818554773 /nfs/dbraw/zinc/55/47/73/818554773.db2.gz FHGWKEJAMGSMMA-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016215 818977750 /nfs/dbraw/zinc/97/77/50/818977750.db2.gz DHONFALRNJAXCX-HDEZJCGLSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016215 818977756 /nfs/dbraw/zinc/97/77/56/818977756.db2.gz DHONFALRNJAXCX-HDEZJCGLSA-N 2 2 290.838 3.127 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235007907 818977806 /nfs/dbraw/zinc/97/78/06/818977806.db2.gz OGNMYFNHXMHQOA-UHFFFAOYSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235007907 818977811 /nfs/dbraw/zinc/97/78/11/818977811.db2.gz OGNMYFNHXMHQOA-UHFFFAOYSA-N 2 2 272.417 3.133 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046264 818990550 /nfs/dbraw/zinc/99/05/50/818990550.db2.gz OLDJWXPETDMAHI-MRXNPFEDSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046264 818990553 /nfs/dbraw/zinc/99/05/53/818990553.db2.gz OLDJWXPETDMAHI-MRXNPFEDSA-N 2 2 294.826 3.154 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073604 818994782 /nfs/dbraw/zinc/99/47/82/818994782.db2.gz SRBVTDJARNVBDE-KFKAGJAMSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073604 818994790 /nfs/dbraw/zinc/99/47/90/818994790.db2.gz SRBVTDJARNVBDE-KFKAGJAMSA-N 2 2 286.463 3.425 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@]23CC[NH2+]C3)s1 ZINC001235109653 819005110 /nfs/dbraw/zinc/00/51/10/819005110.db2.gz GXXUPBMUZVTEEB-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@@]23CC[NH2+]C3)s1 ZINC001235109653 819005114 /nfs/dbraw/zinc/00/51/14/819005114.db2.gz GXXUPBMUZVTEEB-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cccc2n1 ZINC001235128285 819013207 /nfs/dbraw/zinc/01/32/07/819013207.db2.gz DUBQPTKABCHEKM-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cccc2n1 ZINC001235128285 819013213 /nfs/dbraw/zinc/01/32/13/819013213.db2.gz DUBQPTKABCHEKM-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187946 819027958 /nfs/dbraw/zinc/02/79/58/819027958.db2.gz JHAZXPIDKKAYJN-SWLSCSKDSA-N 2 2 272.417 3.003 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187946 819027963 /nfs/dbraw/zinc/02/79/63/819027963.db2.gz JHAZXPIDKKAYJN-SWLSCSKDSA-N 2 2 272.417 3.003 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001235245507 819046780 /nfs/dbraw/zinc/04/67/80/819046780.db2.gz PTHKXROFHDQMLV-IEBWSBKVSA-N 2 2 293.414 3.062 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001235245507 819046783 /nfs/dbraw/zinc/04/67/83/819046783.db2.gz PTHKXROFHDQMLV-IEBWSBKVSA-N 2 2 293.414 3.062 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248140 819047851 /nfs/dbraw/zinc/04/78/51/819047851.db2.gz OIGPULQQUQBJJJ-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248140 819047858 /nfs/dbraw/zinc/04/78/58/819047858.db2.gz OIGPULQQUQBJJJ-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c(C)c12 ZINC001235260228 819054852 /nfs/dbraw/zinc/05/48/52/819054852.db2.gz NUCCRACQVPXQNY-NEPJUHHUSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c(C)c12 ZINC001235260228 819054854 /nfs/dbraw/zinc/05/48/54/819054854.db2.gz NUCCRACQVPXQNY-NEPJUHHUSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235265255 819058229 /nfs/dbraw/zinc/05/82/29/819058229.db2.gz CKAQYRNQIFXPTM-HIFRSBDPSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1C(F)(F)F ZINC001235265255 819058235 /nfs/dbraw/zinc/05/82/35/819058235.db2.gz CKAQYRNQIFXPTM-HIFRSBDPSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403120 819085533 /nfs/dbraw/zinc/08/55/33/819085533.db2.gz KKSVJWXULCWHOV-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235403120 819085538 /nfs/dbraw/zinc/08/55/38/819085538.db2.gz KKSVJWXULCWHOV-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP C[NH2+]CC[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001235662482 819131415 /nfs/dbraw/zinc/13/14/15/819131415.db2.gz IDLOFIWSHFWDTO-UHFFFAOYSA-N 2 2 294.442 3.288 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccsc2)cs1 ZINC001235723858 819151651 /nfs/dbraw/zinc/15/16/51/819151651.db2.gz CVDSNMBEHLHSQT-ZDUSSCGKSA-N 2 2 278.446 3.400 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccsc2)cs1 ZINC001235723858 819151654 /nfs/dbraw/zinc/15/16/54/819151654.db2.gz CVDSNMBEHLHSQT-ZDUSSCGKSA-N 2 2 278.446 3.400 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001235726246 819154829 /nfs/dbraw/zinc/15/48/29/819154829.db2.gz UXRXDTNDRUSERW-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001235726246 819154832 /nfs/dbraw/zinc/15/48/32/819154832.db2.gz UXRXDTNDRUSERW-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235890765 819198991 /nfs/dbraw/zinc/19/89/91/819198991.db2.gz GFZOFHDCBGDZMA-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235890765 819198992 /nfs/dbraw/zinc/19/89/92/819198992.db2.gz GFZOFHDCBGDZMA-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP Clc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235930954 819229159 /nfs/dbraw/zinc/22/91/59/819229159.db2.gz YPFMZXXPAXQVMI-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235930954 819229165 /nfs/dbraw/zinc/22/91/65/819229165.db2.gz YPFMZXXPAXQVMI-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1Cl ZINC001235942015 819234901 /nfs/dbraw/zinc/23/49/01/819234901.db2.gz XODKEOPJEQLKRO-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1Cl ZINC001235942015 819234909 /nfs/dbraw/zinc/23/49/09/819234909.db2.gz XODKEOPJEQLKRO-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949458 819238913 /nfs/dbraw/zinc/23/89/13/819238913.db2.gz LRIQQQRXZLAZRF-IEBWSBKVSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949458 819238919 /nfs/dbraw/zinc/23/89/19/819238919.db2.gz LRIQQQRXZLAZRF-IEBWSBKVSA-N 2 2 298.405 3.185 20 0 CGADLP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235956728 819243982 /nfs/dbraw/zinc/24/39/82/819243982.db2.gz GSBYXKSCTBAOMV-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235956728 819243984 /nfs/dbraw/zinc/24/39/84/819243984.db2.gz GSBYXKSCTBAOMV-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982522 819258086 /nfs/dbraw/zinc/25/80/86/819258086.db2.gz VWBGXXVXWHEQJU-QFBILLFUSA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982522 819258096 /nfs/dbraw/zinc/25/80/96/819258096.db2.gz VWBGXXVXWHEQJU-QFBILLFUSA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990623 819261625 /nfs/dbraw/zinc/26/16/25/819261625.db2.gz MXWJMXQHCVOFPQ-ZFWWWQNUSA-N 2 2 290.457 3.400 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990623 819261628 /nfs/dbraw/zinc/26/16/28/819261628.db2.gz MXWJMXQHCVOFPQ-ZFWWWQNUSA-N 2 2 290.457 3.400 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236045527 819283119 /nfs/dbraw/zinc/28/31/19/819283119.db2.gz VQCFJLHDVCZHFJ-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236045527 819283126 /nfs/dbraw/zinc/28/31/26/819283126.db2.gz VQCFJLHDVCZHFJ-NVXWUHKLSA-N 2 2 290.451 3.425 20 0 CGADLP [NH3+]Cc1cccc(C[N@@H+]2CCc3c4ccccc4oc3C2)c1 ZINC001236086171 819308013 /nfs/dbraw/zinc/30/80/13/819308013.db2.gz CVNIGPVIMUZNQY-UHFFFAOYSA-N 2 2 292.382 3.450 20 0 CGADLP [NH3+]Cc1cccc(C[N@H+]2CCc3c4ccccc4oc3C2)c1 ZINC001236086171 819308018 /nfs/dbraw/zinc/30/80/18/819308018.db2.gz CVNIGPVIMUZNQY-UHFFFAOYSA-N 2 2 292.382 3.450 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236094328 819311926 /nfs/dbraw/zinc/31/19/26/819311926.db2.gz BJMYKFZMTMTMES-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)c1 ZINC001236094328 819311934 /nfs/dbraw/zinc/31/19/34/819311934.db2.gz BJMYKFZMTMTMES-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC001236142829 819343999 /nfs/dbraw/zinc/34/39/99/819343999.db2.gz BDHGCDYODHNYDG-UHFFFAOYSA-N 2 2 268.360 3.367 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc2oc3ccccc3c2c1 ZINC001236142829 819344004 /nfs/dbraw/zinc/34/40/04/819344004.db2.gz BDHGCDYODHNYDG-UHFFFAOYSA-N 2 2 268.360 3.367 20 0 CGADLP C[N@H+](Cc1csc2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236206942 819368428 /nfs/dbraw/zinc/36/84/28/819368428.db2.gz MDCSHXDGETZGGZ-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1csc2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236206942 819368434 /nfs/dbraw/zinc/36/84/34/819368434.db2.gz MDCSHXDGETZGGZ-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216107 819380733 /nfs/dbraw/zinc/38/07/33/819380733.db2.gz ZONSDNZSMBGTGX-UONOGXRCSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216107 819380738 /nfs/dbraw/zinc/38/07/38/819380738.db2.gz ZONSDNZSMBGTGX-UONOGXRCSA-N 2 2 263.429 3.014 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219447 819385668 /nfs/dbraw/zinc/38/56/68/819385668.db2.gz WJGHAYDXZZHXEA-WMLDXEAASA-N 2 2 271.408 3.178 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219447 819385675 /nfs/dbraw/zinc/38/56/75/819385675.db2.gz WJGHAYDXZZHXEA-WMLDXEAASA-N 2 2 271.408 3.178 20 0 CGADLP c1cc2c(cccc2C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)o1 ZINC001236238725 819398771 /nfs/dbraw/zinc/39/87/71/819398771.db2.gz CGKAHQMYTNHBFS-HNNXBMFYSA-N 2 2 270.376 3.149 20 0 CGADLP c1cc2c(cccc2C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)o1 ZINC001236238725 819398779 /nfs/dbraw/zinc/39/87/79/819398779.db2.gz CGKAHQMYTNHBFS-HNNXBMFYSA-N 2 2 270.376 3.149 20 0 CGADLP CCCc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236239342 819400316 /nfs/dbraw/zinc/40/03/16/819400316.db2.gz JYSSNPZQYYCVPR-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP CCCc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236239342 819400322 /nfs/dbraw/zinc/40/03/22/819400322.db2.gz JYSSNPZQYYCVPR-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP Cc1c(C[NH+]2CCC[NH2+]CCC2)cccc1C(F)(F)F ZINC001236241438 819401401 /nfs/dbraw/zinc/40/14/01/819401401.db2.gz YXZSDORALPFRNU-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241865 819401634 /nfs/dbraw/zinc/40/16/34/819401634.db2.gz SMJXKOOLOXVENC-SFHVURJKSA-N 2 2 270.420 3.280 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241865 819401638 /nfs/dbraw/zinc/40/16/38/819401638.db2.gz SMJXKOOLOXVENC-SFHVURJKSA-N 2 2 270.420 3.280 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387461 819444849 /nfs/dbraw/zinc/44/48/49/819444849.db2.gz DFCRWORTBZACFP-INIZCTEOSA-N 2 2 264.388 3.036 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236387461 819444850 /nfs/dbraw/zinc/44/48/50/819444850.db2.gz DFCRWORTBZACFP-INIZCTEOSA-N 2 2 264.388 3.036 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410730 819457729 /nfs/dbraw/zinc/45/77/29/819457729.db2.gz KGTWQAMEPWBRIM-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(C)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236410730 819457731 /nfs/dbraw/zinc/45/77/31/819457731.db2.gz KGTWQAMEPWBRIM-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001236435024 819478759 /nfs/dbraw/zinc/47/87/59/819478759.db2.gz PYRUVKIVITZSMZ-MRXNPFEDSA-N 2 2 290.407 3.288 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001236435024 819478763 /nfs/dbraw/zinc/47/87/63/819478763.db2.gz PYRUVKIVITZSMZ-MRXNPFEDSA-N 2 2 290.407 3.288 20 0 CGADLP CC(C)(C)C[N@H+](Cc1cc(O)ccc1F)C1CC[NH2+]CC1 ZINC001236457200 819486448 /nfs/dbraw/zinc/48/64/48/819486448.db2.gz KQTWBBITZSINOC-UHFFFAOYSA-N 2 2 294.414 3.131 20 0 CGADLP CC(C)(C)C[N@@H+](Cc1cc(O)ccc1F)C1CC[NH2+]CC1 ZINC001236457200 819486453 /nfs/dbraw/zinc/48/64/53/819486453.db2.gz KQTWBBITZSINOC-UHFFFAOYSA-N 2 2 294.414 3.131 20 0 CGADLP COc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236472839 819492419 /nfs/dbraw/zinc/49/24/19/819492419.db2.gz DJGCDQPWLSXWKE-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP COc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236472839 819492423 /nfs/dbraw/zinc/49/24/23/819492423.db2.gz DJGCDQPWLSXWKE-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP [NH3+]CC[N@H+](CCc1cccc(Cl)c1)Cc1ccccc1 ZINC001236522054 819515171 /nfs/dbraw/zinc/51/51/71/819515171.db2.gz KHFMKLVNSWRUDF-UHFFFAOYSA-N 2 2 288.822 3.343 20 0 CGADLP [NH3+]CC[N@@H+](CCc1cccc(Cl)c1)Cc1ccccc1 ZINC001236522054 819515175 /nfs/dbraw/zinc/51/51/75/819515175.db2.gz KHFMKLVNSWRUDF-UHFFFAOYSA-N 2 2 288.822 3.343 20 0 CGADLP Fc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649732 819561714 /nfs/dbraw/zinc/56/17/14/819561714.db2.gz ZIXKGCHDZKKEDQ-OAHLLOKOSA-N 2 2 294.389 3.461 20 0 CGADLP Fc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236649732 819561717 /nfs/dbraw/zinc/56/17/17/819561717.db2.gz ZIXKGCHDZKKEDQ-OAHLLOKOSA-N 2 2 294.389 3.461 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccsc2)c1 ZINC001236900831 819634802 /nfs/dbraw/zinc/63/48/02/819634802.db2.gz ZJQCXRLNFZMCLK-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccsc2)c1 ZINC001236900831 819634809 /nfs/dbraw/zinc/63/48/09/819634809.db2.gz ZJQCXRLNFZMCLK-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cc(O)cc3ccccc32)CC1 ZINC001237067076 819658577 /nfs/dbraw/zinc/65/85/77/819658577.db2.gz ZJPAKPTUCISVBT-UHFFFAOYSA-N 2 2 284.403 3.071 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185868 819691313 /nfs/dbraw/zinc/69/13/13/819691313.db2.gz SJEDWUYFRKSBEG-HKUYNNGSSA-N 2 2 280.415 3.317 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185868 819691317 /nfs/dbraw/zinc/69/13/17/819691317.db2.gz SJEDWUYFRKSBEG-HKUYNNGSSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185868 819691320 /nfs/dbraw/zinc/69/13/20/819691320.db2.gz SJEDWUYFRKSBEG-HKUYNNGSSA-N 2 2 280.415 3.317 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cccccc3-4)C[C@@H]21 ZINC001237185868 819691325 /nfs/dbraw/zinc/69/13/25/819691325.db2.gz SJEDWUYFRKSBEG-HKUYNNGSSA-N 2 2 280.415 3.317 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(N)c1 ZINC001237220611 819700701 /nfs/dbraw/zinc/70/07/01/819700701.db2.gz SXWGBNGPYWNUIV-UHFFFAOYSA-N 2 2 292.386 3.087 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(N)c1 ZINC001237220611 819700705 /nfs/dbraw/zinc/70/07/05/819700705.db2.gz SXWGBNGPYWNUIV-UHFFFAOYSA-N 2 2 292.386 3.087 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237349879 819732481 /nfs/dbraw/zinc/73/24/81/819732481.db2.gz BZNMNQKGIAQVEO-RHSMWYFYSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237349879 819732482 /nfs/dbraw/zinc/73/24/82/819732482.db2.gz BZNMNQKGIAQVEO-RHSMWYFYSA-N 2 2 292.854 3.340 20 0 CGADLP Fc1ccc2occ(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237402337 819745197 /nfs/dbraw/zinc/74/51/97/819745197.db2.gz GWDUSUOVYQOOTK-MLGOLLRUSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occ(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237402337 819745204 /nfs/dbraw/zinc/74/52/04/819745204.db2.gz GWDUSUOVYQOOTK-MLGOLLRUSA-N 2 2 288.366 3.146 20 0 CGADLP Cc1sccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237973260 819900368 /nfs/dbraw/zinc/90/03/68/819900368.db2.gz BMDIEVXWEFSLFR-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1sccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237973260 819900377 /nfs/dbraw/zinc/90/03/77/819900377.db2.gz BMDIEVXWEFSLFR-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP C[N@H+](Cc1cccc(F)c1)Cc1cccc2c[nH+]cn21 ZINC001238104556 819933582 /nfs/dbraw/zinc/93/35/82/819933582.db2.gz XDTODCKLQISNIQ-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1)Cc1cccc2c[nH+]cn21 ZINC001238104556 819933588 /nfs/dbraw/zinc/93/35/88/819933588.db2.gz XDTODCKLQISNIQ-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP CCOc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001239560467 820412065 /nfs/dbraw/zinc/41/20/65/820412065.db2.gz WFRUBELACMAVCJ-UHFFFAOYSA-N 2 2 293.370 3.087 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3c(F)cccc3F)cc2)C1 ZINC001239575951 820425717 /nfs/dbraw/zinc/42/57/17/820425717.db2.gz TUJCFDDKAVWBDB-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3c(F)cccc3F)cc2)C1 ZINC001239575951 820425720 /nfs/dbraw/zinc/42/57/20/820425720.db2.gz TUJCFDDKAVWBDB-AWEZNQCLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3C3CC3)c2)C1 ZINC001243691411 823487883 /nfs/dbraw/zinc/48/78/83/823487883.db2.gz PPEPLCXFJWNLKL-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3C3CC3)c2)C1 ZINC001243691411 823487886 /nfs/dbraw/zinc/48/78/86/823487886.db2.gz PPEPLCXFJWNLKL-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP c1cn2cc(-c3cncc(C[NH+]4CCCCC4)c3)ccc2[nH+]1 ZINC001240218888 820893286 /nfs/dbraw/zinc/89/32/86/820893286.db2.gz NXEBEBAOJCTPOY-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241282320 821702126 /nfs/dbraw/zinc/70/21/26/821702126.db2.gz NLJNAPDIIAGZEP-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001241282320 821702130 /nfs/dbraw/zinc/70/21/30/821702130.db2.gz NLJNAPDIIAGZEP-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2cccc(C[NH+]3CCCC3)c2)[nH+]c1N ZINC001242117873 822883808 /nfs/dbraw/zinc/88/38/08/822883808.db2.gz VJHOMEYHOABNJO-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP FC1(F)CC=C(c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)CC1 ZINC001242233717 822920064 /nfs/dbraw/zinc/92/00/64/822920064.db2.gz SUOVZWSXIAJBET-UHFFFAOYSA-N 2 2 289.329 3.224 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC001351628705 937021091 /nfs/dbraw/zinc/02/10/91/937021091.db2.gz SZIBEABINILXLV-INIZCTEOSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC001351628705 937021094 /nfs/dbraw/zinc/02/10/94/937021094.db2.gz SZIBEABINILXLV-INIZCTEOSA-N 2 2 294.389 3.114 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399002608 926753391 /nfs/dbraw/zinc/75/33/91/926753391.db2.gz DREDYKAFTUXFIG-DAXOMENPSA-N 2 2 264.388 3.253 20 0 CGADLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000047797957 926790458 /nfs/dbraw/zinc/79/04/58/926790458.db2.gz BYRQSCZGQPDHRU-UHFFFAOYSA-N 2 2 288.354 3.034 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]CCCC(F)(F)F)c1cccnc1 ZINC001355350000 937137847 /nfs/dbraw/zinc/13/78/47/937137847.db2.gz UBQBDIPIJYHQIZ-CYBMUJFWSA-N 2 2 289.345 3.007 20 0 CGADLP CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473918946 937201885 /nfs/dbraw/zinc/20/18/85/937201885.db2.gz RFBBDKXDFRZFSE-MRXNPFEDSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001473918946 937201888 /nfs/dbraw/zinc/20/18/88/937201888.db2.gz RFBBDKXDFRZFSE-MRXNPFEDSA-N 2 2 260.425 3.429 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)ccc1F ZINC001459818679 937501651 /nfs/dbraw/zinc/50/16/51/937501651.db2.gz TZCVLUGTSVCHGB-SNVBAGLBSA-N 2 2 267.735 3.026 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163448689 932002965 /nfs/dbraw/zinc/00/29/65/932002965.db2.gz VSLLQIDAIXSWTB-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163448689 932002966 /nfs/dbraw/zinc/00/29/66/932002966.db2.gz VSLLQIDAIXSWTB-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082886 932674633 /nfs/dbraw/zinc/67/46/33/932674633.db2.gz VWJKEYLKCIBVBK-CQSZACIVSA-N 2 2 287.407 3.196 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC001462331279 937633234 /nfs/dbraw/zinc/63/32/34/937633234.db2.gz ALWUQCRWKHHGHJ-KBPBESRZSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC001462331279 937633236 /nfs/dbraw/zinc/63/32/36/937633236.db2.gz ALWUQCRWKHHGHJ-KBPBESRZSA-N 2 2 284.513 3.371 20 0 CGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001307752769 932995833 /nfs/dbraw/zinc/99/58/33/932995833.db2.gz BCXHYKZCFVHGRY-YHUYYLMFSA-N 2 2 284.513 3.228 20 0 CGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001307752766 932996342 /nfs/dbraw/zinc/99/63/42/932996342.db2.gz BCXHYKZCFVHGRY-LVQVYYBASA-N 2 2 284.513 3.228 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001308158334 933060973 /nfs/dbraw/zinc/06/09/73/933060973.db2.gz WLGMKQJUEVIRBZ-SFHVURJKSA-N 2 2 290.451 3.182 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001308158334 933060978 /nfs/dbraw/zinc/06/09/78/933060978.db2.gz WLGMKQJUEVIRBZ-SFHVURJKSA-N 2 2 290.451 3.182 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001308264222 933082984 /nfs/dbraw/zinc/08/29/84/933082984.db2.gz IWSPSOSXLSGOMN-QKPAOTATSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001308264222 933082989 /nfs/dbraw/zinc/08/29/89/933082989.db2.gz IWSPSOSXLSGOMN-QKPAOTATSA-N 2 2 252.446 3.275 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2cccc3ncccc23)[nH+]c1 ZINC001308297085 933090808 /nfs/dbraw/zinc/09/08/08/933090808.db2.gz DZLUOFODANLFEY-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001308474733 933116205 /nfs/dbraw/zinc/11/62/05/933116205.db2.gz IMDJOSDEWBFSFF-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001308474733 933116208 /nfs/dbraw/zinc/11/62/08/933116208.db2.gz IMDJOSDEWBFSFF-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001308475416 933116259 /nfs/dbraw/zinc/11/62/59/933116259.db2.gz PUVIXQJRRXFZDI-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001308475416 933116262 /nfs/dbraw/zinc/11/62/62/933116262.db2.gz PUVIXQJRRXFZDI-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 ZINC001308956893 933212517 /nfs/dbraw/zinc/21/25/17/933212517.db2.gz SYBQGERYICHAOH-BPLDGKMQSA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)C1 ZINC001308956893 933212522 /nfs/dbraw/zinc/21/25/22/933212522.db2.gz SYBQGERYICHAOH-BPLDGKMQSA-N 2 2 294.389 3.285 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001308970271 933217941 /nfs/dbraw/zinc/21/79/41/933217941.db2.gz GJAYRAWLPFFLHO-UHFFFAOYSA-N 2 2 286.822 3.499 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001308970271 933217946 /nfs/dbraw/zinc/21/79/46/933217946.db2.gz GJAYRAWLPFFLHO-UHFFFAOYSA-N 2 2 286.822 3.499 20 0 CGADLP COC1CCC(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001308984167 933221027 /nfs/dbraw/zinc/22/10/27/933221027.db2.gz LEACYUPYXOPSBU-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP COC1CCC(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001308984167 933221033 /nfs/dbraw/zinc/22/10/33/933221033.db2.gz LEACYUPYXOPSBU-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001325718298 934924970 /nfs/dbraw/zinc/92/49/70/934924970.db2.gz RSOQOVOUIWQKSF-BFVZDQMLSA-N 2 2 270.779 3.270 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC001473926712 937830597 /nfs/dbraw/zinc/83/05/97/937830597.db2.gz FEEIAOXIYOOLHF-SOUVJXGZSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+](C)C ZINC001473924876 937830605 /nfs/dbraw/zinc/83/06/05/937830605.db2.gz OHBRWJUTMKZFKL-RTBURBONSA-N 2 2 288.479 3.500 20 0 CGADLP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474671058 937874130 /nfs/dbraw/zinc/87/41/30/937874130.db2.gz OOWOWSAMFRULKK-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474671058 937874131 /nfs/dbraw/zinc/87/41/31/937874131.db2.gz OOWOWSAMFRULKK-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474744663 937878588 /nfs/dbraw/zinc/87/85/88/937878588.db2.gz KAUZJMZEJDMDIP-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474744663 937878590 /nfs/dbraw/zinc/87/85/90/937878590.db2.gz KAUZJMZEJDMDIP-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233104 938248202 /nfs/dbraw/zinc/24/82/02/938248202.db2.gz RKLGLBOWBCGKKU-CYBMUJFWSA-N 2 2 287.382 3.500 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC(C)(C)C1)C(C)(C)C ZINC001560790338 938275684 /nfs/dbraw/zinc/27/56/84/938275684.db2.gz ZRNWNSGTJXVIBP-AWEZNQCLSA-N 2 2 254.462 3.380 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC(C)(C)C1)C(C)(C)C ZINC001560790338 938275686 /nfs/dbraw/zinc/27/56/86/938275686.db2.gz ZRNWNSGTJXVIBP-AWEZNQCLSA-N 2 2 254.462 3.380 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560790097 938275900 /nfs/dbraw/zinc/27/59/00/938275900.db2.gz SSWIFAZAHFIAGM-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560790097 938275901 /nfs/dbraw/zinc/27/59/01/938275901.db2.gz SSWIFAZAHFIAGM-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001560962080 938286614 /nfs/dbraw/zinc/28/66/14/938286614.db2.gz ZFYLNENBIGUBSY-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001560962080 938286616 /nfs/dbraw/zinc/28/66/16/938286616.db2.gz ZFYLNENBIGUBSY-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271486 960403992 /nfs/dbraw/zinc/40/39/92/960403992.db2.gz GMRDOJJPEFLLEN-KRWDZBQOSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222271486 960403999 /nfs/dbraw/zinc/40/39/99/960403999.db2.gz GMRDOJJPEFLLEN-KRWDZBQOSA-N 2 2 294.389 3.239 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001258775357 960428667 /nfs/dbraw/zinc/42/86/67/960428667.db2.gz LMBUCXKAIQZQQD-UHFFFAOYSA-N 2 2 262.372 3.016 20 0 CGADLP CCC[NH+]1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001258775357 960428674 /nfs/dbraw/zinc/42/86/74/960428674.db2.gz LMBUCXKAIQZQQD-UHFFFAOYSA-N 2 2 262.372 3.016 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001574980538 962344164 /nfs/dbraw/zinc/34/41/64/962344164.db2.gz UCUNTUMCQRRWDF-NZHZHZHDSA-N 2 2 266.388 3.380 20 0 CGADLP C[C@@H](c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1)C(F)(F)F ZINC001576300948 962446649 /nfs/dbraw/zinc/44/66/49/962446649.db2.gz GVGJAMJSYDSMQZ-SMDDNHRTSA-N 2 2 286.341 3.276 20 0 CGADLP C[C@@H](c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1)C(F)(F)F ZINC001576300948 962446667 /nfs/dbraw/zinc/44/66/67/962446667.db2.gz GVGJAMJSYDSMQZ-SMDDNHRTSA-N 2 2 286.341 3.276 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001576489550 962469029 /nfs/dbraw/zinc/46/90/29/962469029.db2.gz QALTZPNSEOEZOA-MRXNPFEDSA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)c1cc(C)ccc1C ZINC001577176031 962519723 /nfs/dbraw/zinc/51/97/23/962519723.db2.gz PZNSEABFBWNEHT-KMFMINBZSA-N 2 2 260.425 3.342 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(F)(F)CC1 ZINC001578275340 962588255 /nfs/dbraw/zinc/58/82/55/962588255.db2.gz JBNKEEPNDHDBIV-HNNXBMFYSA-N 2 2 282.378 3.416 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891237 962742737 /nfs/dbraw/zinc/74/27/37/962742737.db2.gz VZSIIFXBNFZQAQ-ZWKOTPCHSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)CCCN2 ZINC001580891237 962742752 /nfs/dbraw/zinc/74/27/52/962742752.db2.gz VZSIIFXBNFZQAQ-ZWKOTPCHSA-N 2 2 299.462 3.151 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651184091 398211393 /nfs/dbraw/zinc/21/13/93/398211393.db2.gz CCSIOEMLTIZDOC-CYBMUJFWSA-N 2 2 259.397 3.291 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@H+](C)Cc1ccccc1 ZINC000337512204 214132015 /nfs/dbraw/zinc/13/20/15/214132015.db2.gz JQTAMYJNVRFGMQ-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+](C)Cc1ccccc1 ZINC000337512204 214132017 /nfs/dbraw/zinc/13/20/17/214132017.db2.gz JQTAMYJNVRFGMQ-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP FC(F)[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCCC1 ZINC000621401756 349520461 /nfs/dbraw/zinc/52/04/61/349520461.db2.gz IVSUXOKGIYEKIL-CYBMUJFWSA-N 2 2 271.355 3.077 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCSC1 ZINC000290215857 197633717 /nfs/dbraw/zinc/63/37/17/197633717.db2.gz RBLQOKUKTUMKBY-AWEZNQCLSA-N 2 2 264.438 3.055 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(F)cccc1F ZINC000651866867 398298955 /nfs/dbraw/zinc/29/89/55/398298955.db2.gz UJXJOJLGICYVJO-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1F ZINC000651866867 398298958 /nfs/dbraw/zinc/29/89/58/398298958.db2.gz UJXJOJLGICYVJO-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP Cc1cnccc1C[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000294975296 199278962 /nfs/dbraw/zinc/27/89/62/199278962.db2.gz FVLNMGJAQSSLLH-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cnccc1C[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294975296 199278966 /nfs/dbraw/zinc/27/89/66/199278966.db2.gz FVLNMGJAQSSLLH-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000449218158 529608062 /nfs/dbraw/zinc/60/80/62/529608062.db2.gz FWEQVPSSSCKTOB-HNNXBMFYSA-N 2 2 257.381 3.045 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)CC1(C)C ZINC000623335833 349780668 /nfs/dbraw/zinc/78/06/68/349780668.db2.gz HDCRNKMQLTULET-CYBMUJFWSA-N 2 2 266.816 3.302 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cl)CC1(C)C ZINC000623335833 349780669 /nfs/dbraw/zinc/78/06/69/349780669.db2.gz HDCRNKMQLTULET-CYBMUJFWSA-N 2 2 266.816 3.302 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000415061733 529616707 /nfs/dbraw/zinc/61/67/07/529616707.db2.gz DEFSCZRTVFSENU-NXHRZFHOSA-N 2 2 290.451 3.042 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc(C)ccc1OC ZINC000423365142 529662203 /nfs/dbraw/zinc/66/22/03/529662203.db2.gz PGPYQCODFKEREB-VNQPRFMTSA-N 2 2 276.424 3.042 20 0 CGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405698 349800653 /nfs/dbraw/zinc/80/06/53/349800653.db2.gz VPUXHHFXYUWRCT-GDBMZVCRSA-N 2 2 288.435 3.199 20 0 CGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405698 349800656 /nfs/dbraw/zinc/80/06/56/349800656.db2.gz VPUXHHFXYUWRCT-GDBMZVCRSA-N 2 2 288.435 3.199 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCS1 ZINC000127882423 187338960 /nfs/dbraw/zinc/33/89/60/187338960.db2.gz SYFJEHXTTCQDOZ-INIZCTEOSA-N 2 2 287.432 3.248 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867355 346942972 /nfs/dbraw/zinc/94/29/72/346942972.db2.gz PKDBCWGXKVUHJG-GDBMZVCRSA-N 2 2 255.365 3.281 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867355 346942973 /nfs/dbraw/zinc/94/29/73/346942973.db2.gz PKDBCWGXKVUHJG-GDBMZVCRSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)[C@@H]3C[C@H]3C3CC3)cn21 ZINC000623559107 349834073 /nfs/dbraw/zinc/83/40/73/349834073.db2.gz STBTZNKSROFIHD-JQFCIGGWSA-N 2 2 283.419 3.209 20 0 CGADLP Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351550264 219123293 /nfs/dbraw/zinc/12/32/93/219123293.db2.gz JEAMJDYROFFUHC-UHFFFAOYSA-N 2 2 284.388 3.308 20 0 CGADLP O=C(CCC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000295087478 199339248 /nfs/dbraw/zinc/33/92/48/199339248.db2.gz RUEHETOKGSBTBH-UHFFFAOYSA-N 2 2 297.402 3.183 20 0 CGADLP C[NH2+]CCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423907493 529962313 /nfs/dbraw/zinc/96/23/13/529962313.db2.gz OEDYISSJTRMFMW-UHFFFAOYSA-N 2 2 299.374 3.120 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623891588 349906436 /nfs/dbraw/zinc/90/64/36/349906436.db2.gz PUZPAUIPWJPENS-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623891588 349906439 /nfs/dbraw/zinc/90/64/39/349906439.db2.gz PUZPAUIPWJPENS-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000423224866 529978461 /nfs/dbraw/zinc/97/84/61/529978461.db2.gz KETDEIKGGTWNLO-KRWDZBQOSA-N 2 2 288.822 3.433 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1ccco1 ZINC000037154389 344947973 /nfs/dbraw/zinc/94/79/73/344947973.db2.gz MHECOFKHIYSNOR-LSDHHAIUSA-N 2 2 264.413 3.065 20 0 CGADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1 ZINC000044353224 345009593 /nfs/dbraw/zinc/00/95/93/345009593.db2.gz PCFFICYVWWMMPG-HNNXBMFYSA-N 2 2 257.381 3.057 20 0 CGADLP c1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004105 345095818 /nfs/dbraw/zinc/09/58/18/345095818.db2.gz XNJNZRVWRYTFGX-UHFFFAOYSA-N 2 2 288.435 3.016 20 0 CGADLP c1csc(C[NH+]2CCC(CNc3cccc[nH+]3)CC2)c1 ZINC000057854808 345189191 /nfs/dbraw/zinc/18/91/91/345189191.db2.gz RVPHSAFRCLBYCZ-UHFFFAOYSA-N 2 2 287.432 3.467 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063192022 345244225 /nfs/dbraw/zinc/24/42/25/345244225.db2.gz QITSSRIQAITOSZ-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063192022 345244226 /nfs/dbraw/zinc/24/42/26/345244226.db2.gz QITSSRIQAITOSZ-PBHICJAKSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1 ZINC000090046651 345778493 /nfs/dbraw/zinc/77/84/93/345778493.db2.gz ZARQDYMYBMKOEC-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000090046616 345778596 /nfs/dbraw/zinc/77/85/96/345778596.db2.gz JQSRPPXOHUIWPR-WMZOPIPTSA-N 2 2 290.451 3.228 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090724526 345792920 /nfs/dbraw/zinc/79/29/20/345792920.db2.gz ZSZMEPFJMPKHHU-OAHLLOKOSA-N 2 2 275.440 3.070 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]CC3(C4CC4)CCC3)CC2)c1 ZINC000090724233 345793433 /nfs/dbraw/zinc/79/34/33/345793433.db2.gz IDPWCDTUZZRYGT-UHFFFAOYSA-N 2 2 299.462 3.216 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c[nH+]1 ZINC000092648661 345849322 /nfs/dbraw/zinc/84/93/22/345849322.db2.gz ZUTJNETXWPDUFY-WMZOPIPTSA-N 2 2 281.403 3.324 20 0 CGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cn1 ZINC000092750106 345855655 /nfs/dbraw/zinc/85/56/55/345855655.db2.gz CNZLOVIJGZSWOV-SWLSCSKDSA-N 2 2 281.419 3.238 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000093753045 345887294 /nfs/dbraw/zinc/88/72/94/345887294.db2.gz WUGVYBFJTGKIEB-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000093753045 345887301 /nfs/dbraw/zinc/88/73/01/345887301.db2.gz WUGVYBFJTGKIEB-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093753045 345887307 /nfs/dbraw/zinc/88/73/07/345887307.db2.gz WUGVYBFJTGKIEB-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093753045 345887312 /nfs/dbraw/zinc/88/73/12/345887312.db2.gz WUGVYBFJTGKIEB-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093866030 345890689 /nfs/dbraw/zinc/89/06/89/345890689.db2.gz CZHCNBIKTIAXJO-XOKHGSTOSA-N 2 2 298.386 3.451 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000093866030 345890694 /nfs/dbraw/zinc/89/06/94/345890694.db2.gz CZHCNBIKTIAXJO-XOKHGSTOSA-N 2 2 298.386 3.451 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000093866263 345890919 /nfs/dbraw/zinc/89/09/19/345890919.db2.gz OMEQEOGVBCAPFJ-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000093866263 345890920 /nfs/dbraw/zinc/89/09/20/345890920.db2.gz OMEQEOGVBCAPFJ-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000173352070 232281389 /nfs/dbraw/zinc/28/13/89/232281389.db2.gz DQSRRKCDMSFVSR-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000173352070 232281392 /nfs/dbraw/zinc/28/13/92/232281392.db2.gz DQSRRKCDMSFVSR-FZMZJTMJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000131525086 346065895 /nfs/dbraw/zinc/06/58/95/346065895.db2.gz HZMLUODBDXQKLS-KOLCDFICSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000131525086 346065899 /nfs/dbraw/zinc/06/58/99/346065899.db2.gz HZMLUODBDXQKLS-KOLCDFICSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1 ZINC000127575326 187316715 /nfs/dbraw/zinc/31/67/15/187316715.db2.gz UKMYRDMUMMTIFF-CQSZACIVSA-N 2 2 297.377 3.409 20 0 CGADLP COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000187766331 346260824 /nfs/dbraw/zinc/26/08/24/346260824.db2.gz GTKNEMYCVPQWJK-WMZOPIPTSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@@H+]1C ZINC000295140265 199368754 /nfs/dbraw/zinc/36/87/54/199368754.db2.gz ZJEROXFOWAJJBV-ZBFHGGJFSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CC2)CC[N@H+]1C ZINC000295140265 199368755 /nfs/dbraw/zinc/36/87/55/199368755.db2.gz ZJEROXFOWAJJBV-ZBFHGGJFSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140265 199368756 /nfs/dbraw/zinc/36/87/56/199368756.db2.gz ZJEROXFOWAJJBV-ZBFHGGJFSA-N 2 2 288.435 3.142 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC2CC2)CC[NH+]1C ZINC000295140265 199368758 /nfs/dbraw/zinc/36/87/58/199368758.db2.gz ZJEROXFOWAJJBV-ZBFHGGJFSA-N 2 2 288.435 3.142 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251220981 346387952 /nfs/dbraw/zinc/38/79/52/346387952.db2.gz HUYPQFCEUGXCEM-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251220981 346387956 /nfs/dbraw/zinc/38/79/56/346387956.db2.gz HUYPQFCEUGXCEM-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP C([NH2+][C@@H]1CCCSCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078211 349965541 /nfs/dbraw/zinc/96/55/41/349965541.db2.gz ZKDMEOPMYZCLGB-GDBMZVCRSA-N 2 2 282.497 3.269 20 0 CGADLP C([NH2+][C@@H]1CCCSCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624078211 349965542 /nfs/dbraw/zinc/96/55/42/349965542.db2.gz ZKDMEOPMYZCLGB-GDBMZVCRSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000584584256 346684933 /nfs/dbraw/zinc/68/49/33/346684933.db2.gz JIYXUCZPMJOKBC-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000584584256 346684938 /nfs/dbraw/zinc/68/49/38/346684938.db2.gz JIYXUCZPMJOKBC-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594746917 347215978 /nfs/dbraw/zinc/21/59/78/347215978.db2.gz HCHJJDZOQLVALQ-QGZVFWFLSA-N 2 2 290.451 3.226 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594746917 347215980 /nfs/dbraw/zinc/21/59/80/347215980.db2.gz HCHJJDZOQLVALQ-QGZVFWFLSA-N 2 2 290.451 3.226 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000594750629 347216767 /nfs/dbraw/zinc/21/67/67/347216767.db2.gz YSBXXQFWUTYLNI-INIZCTEOSA-N 2 2 294.414 3.057 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000594750629 347216769 /nfs/dbraw/zinc/21/67/69/347216769.db2.gz YSBXXQFWUTYLNI-INIZCTEOSA-N 2 2 294.414 3.057 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(C3CCC3)cc1)C2 ZINC000339402290 215147105 /nfs/dbraw/zinc/14/71/05/215147105.db2.gz IHOXXMMWKIMYGD-MRXNPFEDSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)CC2 ZINC000339402290 215147108 /nfs/dbraw/zinc/14/71/08/215147108.db2.gz IHOXXMMWKIMYGD-MRXNPFEDSA-N 2 2 281.403 3.324 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418414 215157676 /nfs/dbraw/zinc/15/76/76/215157676.db2.gz BNWURMAGHWAAMU-IUODEOHRSA-N 2 2 282.378 3.228 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418414 215157679 /nfs/dbraw/zinc/15/76/79/215157679.db2.gz BNWURMAGHWAAMU-IUODEOHRSA-N 2 2 282.378 3.228 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439217 215171959 /nfs/dbraw/zinc/17/19/59/215171959.db2.gz MUEVZNJFGBXHEN-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439217 215171961 /nfs/dbraw/zinc/17/19/61/215171961.db2.gz MUEVZNJFGBXHEN-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439217 215171962 /nfs/dbraw/zinc/17/19/62/215171962.db2.gz MUEVZNJFGBXHEN-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439217 215171966 /nfs/dbraw/zinc/17/19/66/215171966.db2.gz MUEVZNJFGBXHEN-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000271282879 191048990 /nfs/dbraw/zinc/04/89/90/191048990.db2.gz PQFSPSDIMWNOHI-PBHICJAKSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1n1cc[nH+]c1 ZINC000271282879 191048992 /nfs/dbraw/zinc/04/89/92/191048992.db2.gz PQFSPSDIMWNOHI-PBHICJAKSA-N 2 2 294.402 3.448 20 0 CGADLP Cc1ncccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359878291 233386956 /nfs/dbraw/zinc/38/69/56/233386956.db2.gz QPQHMLCIPYMJIC-KRWDZBQOSA-N 2 2 298.434 3.375 20 0 CGADLP Cc1ncccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359878291 233386958 /nfs/dbraw/zinc/38/69/58/233386958.db2.gz QPQHMLCIPYMJIC-KRWDZBQOSA-N 2 2 298.434 3.375 20 0 CGADLP Cc1ccc(SCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000359892961 233390712 /nfs/dbraw/zinc/39/07/12/233390712.db2.gz BXLWKZVBXQSLQN-INIZCTEOSA-N 2 2 278.465 3.065 20 0 CGADLP Cc1ccc(SCC[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000359892961 233390714 /nfs/dbraw/zinc/39/07/14/233390714.db2.gz BXLWKZVBXQSLQN-INIZCTEOSA-N 2 2 278.465 3.065 20 0 CGADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000352113624 219325055 /nfs/dbraw/zinc/32/50/55/219325055.db2.gz LIYGZNQEBRQXTO-AAGJOFLKSA-N 2 2 299.418 3.111 20 0 CGADLP c1[nH]nc2cccc(C[N@@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)c12 ZINC000628161160 350416970 /nfs/dbraw/zinc/41/69/70/350416970.db2.gz UDPFZATXVZXHHO-MRXNPFEDSA-N 2 2 298.434 3.013 20 0 CGADLP c1[nH]nc2cccc(C[N@H+]3CCCC[C@@H]([NH+]4CCCC4)C3)c12 ZINC000628161160 350416972 /nfs/dbraw/zinc/41/69/72/350416972.db2.gz UDPFZATXVZXHHO-MRXNPFEDSA-N 2 2 298.434 3.013 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2[nH]1 ZINC000628162343 350418353 /nfs/dbraw/zinc/41/83/53/350418353.db2.gz MQBHFSORWCOOEM-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2[nH]1 ZINC000628162343 350418355 /nfs/dbraw/zinc/41/83/55/350418355.db2.gz MQBHFSORWCOOEM-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629526079 350702121 /nfs/dbraw/zinc/70/21/21/350702121.db2.gz KDVZFRYCZKZRNM-LEWSCRJBSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000629551277 350712334 /nfs/dbraw/zinc/71/23/34/350712334.db2.gz SUUZMDCLOPRFQV-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1F ZINC000271406970 191120360 /nfs/dbraw/zinc/12/03/60/191120360.db2.gz ACWUVDAASXPJPP-XQQFMLRXSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1F ZINC000271406970 191120361 /nfs/dbraw/zinc/12/03/61/191120361.db2.gz ACWUVDAASXPJPP-XQQFMLRXSA-N 2 2 280.362 3.242 20 0 CGADLP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629651854 350730543 /nfs/dbraw/zinc/73/05/43/350730543.db2.gz LZCKROYGHDSSIX-QZTJIDSGSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CO2 ZINC000629651854 350730548 /nfs/dbraw/zinc/73/05/48/350730548.db2.gz LZCKROYGHDSSIX-QZTJIDSGSA-N 2 2 298.430 3.069 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000631565315 351068620 /nfs/dbraw/zinc/06/86/20/351068620.db2.gz DXHYVFJTVQCSKC-LSDHHAIUSA-N 2 2 296.418 3.364 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000631571474 351070602 /nfs/dbraw/zinc/07/06/02/351070602.db2.gz FYQZOIAHHWNGKX-GOEBONIOSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000631571474 351070605 /nfs/dbraw/zinc/07/06/05/351070605.db2.gz FYQZOIAHHWNGKX-GOEBONIOSA-N 2 2 285.435 3.173 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)ccn1 ZINC000631571789 351071421 /nfs/dbraw/zinc/07/14/21/351071421.db2.gz IOPBELQUXNMEAF-INIZCTEOSA-N 2 2 286.423 3.498 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccn1 ZINC000631586941 351080603 /nfs/dbraw/zinc/08/06/03/351080603.db2.gz AMRCGSKVIYXBTF-OAGGEKHMSA-N 2 2 275.440 3.304 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccn1 ZINC000631586941 351080605 /nfs/dbraw/zinc/08/06/05/351080605.db2.gz AMRCGSKVIYXBTF-OAGGEKHMSA-N 2 2 275.440 3.304 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000634680667 351566801 /nfs/dbraw/zinc/56/68/01/351566801.db2.gz YNHREEMAHASCKX-GOEBONIOSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952493 351608878 /nfs/dbraw/zinc/60/88/78/351608878.db2.gz ANQIAYMDXHRXTD-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952493 351608879 /nfs/dbraw/zinc/60/88/79/351608879.db2.gz ANQIAYMDXHRXTD-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000635004187 351622913 /nfs/dbraw/zinc/62/29/13/351622913.db2.gz NJCJCJQDQCASIA-ONGXEEELSA-N 2 2 292.370 3.387 20 0 CGADLP CC(C)[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482899359 535166470 /nfs/dbraw/zinc/16/64/70/535166470.db2.gz KKEYHZCYCQVCRM-OAHLLOKOSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000123867670 187112044 /nfs/dbraw/zinc/11/20/44/187112044.db2.gz AWHVNMJYYHYUNM-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@H+]1C ZINC000123867670 187112045 /nfs/dbraw/zinc/11/20/45/187112045.db2.gz AWHVNMJYYHYUNM-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867670 187112046 /nfs/dbraw/zinc/11/20/46/187112046.db2.gz AWHVNMJYYHYUNM-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867670 187112047 /nfs/dbraw/zinc/11/20/47/187112047.db2.gz AWHVNMJYYHYUNM-WMLDXEAASA-N 2 2 283.419 3.149 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cs1 ZINC000271556252 191211285 /nfs/dbraw/zinc/21/12/85/191211285.db2.gz VUTLPTXPLQFLQC-NSHDSACASA-N 2 2 261.394 3.048 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@@H+]1C ZINC000336468212 213336709 /nfs/dbraw/zinc/33/67/09/213336709.db2.gz ZCEWIWYDIBJBKW-JQWIXIFHSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@H+]1C ZINC000336468212 213336713 /nfs/dbraw/zinc/33/67/13/213336713.db2.gz ZCEWIWYDIBJBKW-JQWIXIFHSA-N 2 2 293.411 3.008 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCC(C)C)CCC2 ZINC000366207448 234155273 /nfs/dbraw/zinc/15/52/73/234155273.db2.gz BMBPVTMJUGKREK-ZFWWWQNUSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ncc[nH]1 ZINC000367524368 234222645 /nfs/dbraw/zinc/22/26/45/234222645.db2.gz CBBDCQCSXCQLSG-HLLBOEOZSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ncc[nH]1 ZINC000367524368 234222649 /nfs/dbraw/zinc/22/26/49/234222649.db2.gz CBBDCQCSXCQLSG-HLLBOEOZSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]1CCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000152220893 188002576 /nfs/dbraw/zinc/00/25/76/188002576.db2.gz MVPAOBUIIWQVMO-UONOGXRCSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098274 234281845 /nfs/dbraw/zinc/28/18/45/234281845.db2.gz BILSYPHNCGPYTC-FMTVUPSXSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098274 234281849 /nfs/dbraw/zinc/28/18/49/234281849.db2.gz BILSYPHNCGPYTC-FMTVUPSXSA-N 2 2 299.393 3.319 20 0 CGADLP c1cc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)ccc2o1 ZINC000368506385 234315426 /nfs/dbraw/zinc/31/54/26/234315426.db2.gz CQQRTSOTCREWSY-UHFFFAOYSA-N 2 2 281.359 3.255 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000368579053 234323374 /nfs/dbraw/zinc/32/33/74/234323374.db2.gz SFWVBHJPQWZHNL-GVDBMIGSSA-N 2 2 288.435 3.116 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000154861463 188166677 /nfs/dbraw/zinc/16/66/77/188166677.db2.gz QLUFWWOUACZBKH-YOEHRIQHSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292661749 198366688 /nfs/dbraw/zinc/36/66/88/198366688.db2.gz IQQTZNJLQVQPRJ-AWEZNQCLSA-N 2 2 279.334 3.178 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000158874816 188398116 /nfs/dbraw/zinc/39/81/16/188398116.db2.gz VPHJDLAOUPNISY-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000158874816 188398117 /nfs/dbraw/zinc/39/81/17/188398117.db2.gz VPHJDLAOUPNISY-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000515672480 535244725 /nfs/dbraw/zinc/24/47/25/535244725.db2.gz BKDVGJFXQNEXPH-UHFFFAOYSA-N 2 2 287.407 3.116 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000168576022 295886411 /nfs/dbraw/zinc/88/64/11/295886411.db2.gz UYBJOGDRNFCHFK-BBRMVZONSA-N 2 2 260.425 3.339 20 0 CGADLP C[C@@H]1CSCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000336339627 213186750 /nfs/dbraw/zinc/18/67/50/213186750.db2.gz ZVVTYMOIOCNHHR-LBPRGKRZSA-N 2 2 293.461 3.119 20 0 CGADLP C[C@@H]1CSCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000336339627 213186751 /nfs/dbraw/zinc/18/67/51/213186751.db2.gz ZVVTYMOIOCNHHR-LBPRGKRZSA-N 2 2 293.461 3.119 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000123682519 138369377 /nfs/dbraw/zinc/36/93/77/138369377.db2.gz OZMKKYGKSPPTPC-NHYWBVRUSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000123682519 138369378 /nfs/dbraw/zinc/36/93/78/138369378.db2.gz OZMKKYGKSPPTPC-NHYWBVRUSA-N 2 2 270.367 3.331 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124765055 138377613 /nfs/dbraw/zinc/37/76/13/138377613.db2.gz SXVXKIRNKVQQHZ-ZDUSSCGKSA-N 2 2 263.429 3.466 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127689196 138390448 /nfs/dbraw/zinc/39/04/48/138390448.db2.gz HSHANIKVELWVIE-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP COC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000423179576 235988331 /nfs/dbraw/zinc/98/83/31/235988331.db2.gz MMRGQMHTLBFJAB-OAHLLOKOSA-N 2 2 296.842 3.279 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000423233970 236004148 /nfs/dbraw/zinc/00/41/48/236004148.db2.gz FDYJOLBQKHASRN-YOEHRIQHSA-N 2 2 254.377 3.346 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423233667 236004360 /nfs/dbraw/zinc/00/43/60/236004360.db2.gz KIGLRVCMZCZDLG-STQMWFEESA-N 2 2 288.391 3.152 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423233586 236004583 /nfs/dbraw/zinc/00/45/83/236004583.db2.gz DTSBVXDGYLNVRC-IAGOWNOFSA-N 2 2 282.387 3.059 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423241742 236006491 /nfs/dbraw/zinc/00/64/91/236006491.db2.gz VJEAJOZHVOMMSJ-HUUCEWRRSA-N 2 2 298.352 3.498 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC000423251103 236008941 /nfs/dbraw/zinc/00/89/41/236008941.db2.gz WBABFQNOJFQUHQ-ROUUACIJSA-N 2 2 266.388 3.272 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC12CCCC2)c1ccccc1 ZINC000423254494 236009948 /nfs/dbraw/zinc/00/99/48/236009948.db2.gz YFDGBFFDSPGRPZ-HZPDHXFCSA-N 2 2 258.409 3.389 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000482139294 535364877 /nfs/dbraw/zinc/36/48/77/535364877.db2.gz FJAHLUOJARDBFC-KRWDZBQOSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000482139294 535364880 /nfs/dbraw/zinc/36/48/80/535364880.db2.gz FJAHLUOJARDBFC-KRWDZBQOSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1cc[nH+]cc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000336263410 213101251 /nfs/dbraw/zinc/10/12/51/213101251.db2.gz KFXHTCUFJMYNPF-OLZOCXBDSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423380154 236056577 /nfs/dbraw/zinc/05/65/77/236056577.db2.gz GZLXRMACKWHCHR-STQMWFEESA-N 2 2 266.454 3.485 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423542383 236096062 /nfs/dbraw/zinc/09/60/62/236096062.db2.gz AUVJOILJFSEGLI-AAEUAGOBSA-N 2 2 264.438 3.030 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000425320251 236229788 /nfs/dbraw/zinc/22/97/88/236229788.db2.gz CLUBLSSCHLWXHI-GFCCVEGCSA-N 2 2 291.345 3.376 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000425320251 236229789 /nfs/dbraw/zinc/22/97/89/236229789.db2.gz CLUBLSSCHLWXHI-GFCCVEGCSA-N 2 2 291.345 3.376 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386167 236242475 /nfs/dbraw/zinc/24/24/75/236242475.db2.gz STIUGIUKNYBVCO-WMLDXEAASA-N 2 2 298.434 3.069 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386167 236242477 /nfs/dbraw/zinc/24/24/77/236242477.db2.gz STIUGIUKNYBVCO-WMLDXEAASA-N 2 2 298.434 3.069 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427120130 236323363 /nfs/dbraw/zinc/32/33/63/236323363.db2.gz QCTNXGMBZJGSLY-BXUZGUMPSA-N 2 2 290.794 3.270 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427120130 236323365 /nfs/dbraw/zinc/32/33/65/236323365.db2.gz QCTNXGMBZJGSLY-BXUZGUMPSA-N 2 2 290.794 3.270 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000428234944 236383024 /nfs/dbraw/zinc/38/30/24/236383024.db2.gz FIXDYCLULLJSCN-UHFFFAOYSA-N 2 2 288.395 3.140 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000297298749 200139735 /nfs/dbraw/zinc/13/97/35/200139735.db2.gz BDBRGIHQJSMOOX-QGZVFWFLSA-N 2 2 287.382 3.329 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000297298749 200139736 /nfs/dbraw/zinc/13/97/36/200139736.db2.gz BDBRGIHQJSMOOX-QGZVFWFLSA-N 2 2 287.382 3.329 20 0 CGADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1c1cccc(F)c1 ZINC000297310300 200143812 /nfs/dbraw/zinc/14/38/12/200143812.db2.gz BUHLLTVIEKGXGC-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1c1cccc(F)c1 ZINC000297310300 200143813 /nfs/dbraw/zinc/14/38/13/200143813.db2.gz BUHLLTVIEKGXGC-SUMWQHHRSA-N 2 2 287.382 3.185 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000341740199 216084108 /nfs/dbraw/zinc/08/41/08/216084108.db2.gz CYCPFGOHKYWHNW-HNNXBMFYSA-N 2 2 266.816 3.332 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000297649280 200252279 /nfs/dbraw/zinc/25/22/79/200252279.db2.gz ITFPQYQCSCWQMX-UHFFFAOYSA-N 2 2 296.418 3.126 20 0 CGADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297799239 200282496 /nfs/dbraw/zinc/28/24/96/200282496.db2.gz XGMNPSAJIYDLNA-YJBOKZPZSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297799239 200282497 /nfs/dbraw/zinc/28/24/97/200282497.db2.gz XGMNPSAJIYDLNA-YJBOKZPZSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297871329 200297211 /nfs/dbraw/zinc/29/72/11/200297211.db2.gz PTPBGRRBYGYEGG-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297871329 200297214 /nfs/dbraw/zinc/29/72/14/200297214.db2.gz PTPBGRRBYGYEGG-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000297963333 200309842 /nfs/dbraw/zinc/30/98/42/200309842.db2.gz WOQVMBMWPMNWMQ-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000297963333 200309843 /nfs/dbraw/zinc/30/98/43/200309843.db2.gz WOQVMBMWPMNWMQ-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP CC[C@@H](C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177370328 189046836 /nfs/dbraw/zinc/04/68/36/189046836.db2.gz GPRLCTPAIIESIY-CQSZACIVSA-N 2 2 272.396 3.135 20 0 CGADLP CC[C@@H](C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177370328 189046837 /nfs/dbraw/zinc/04/68/37/189046837.db2.gz GPRLCTPAIIESIY-CQSZACIVSA-N 2 2 272.396 3.135 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357764 189188226 /nfs/dbraw/zinc/18/82/26/189188226.db2.gz LBFJOIOYCYUWIG-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357764 189188227 /nfs/dbraw/zinc/18/82/27/189188227.db2.gz LBFJOIOYCYUWIG-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357764 189188228 /nfs/dbraw/zinc/18/82/28/189188228.db2.gz LBFJOIOYCYUWIG-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000179357764 189188229 /nfs/dbraw/zinc/18/82/29/189188229.db2.gz LBFJOIOYCYUWIG-AWEZNQCLSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1cccc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)c1 ZINC000179469726 189196339 /nfs/dbraw/zinc/19/63/39/189196339.db2.gz FWAWRSPFOMRNQN-UHFFFAOYSA-N 2 2 269.392 3.251 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccn1 ZINC000179467908 189196354 /nfs/dbraw/zinc/19/63/54/189196354.db2.gz UNGYTWYQKVDFBF-OAHLLOKOSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000179604129 189206767 /nfs/dbraw/zinc/20/67/67/189206767.db2.gz ZMHLGWFWTNNELH-UHFFFAOYSA-N 2 2 271.389 3.418 20 0 CGADLP CC[N@@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000179604129 189206768 /nfs/dbraw/zinc/20/67/68/189206768.db2.gz ZMHLGWFWTNNELH-UHFFFAOYSA-N 2 2 271.389 3.418 20 0 CGADLP COc1ccc([C@@H](C)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000179902797 189227300 /nfs/dbraw/zinc/22/73/00/189227300.db2.gz GJYRBYNTVFHTAM-HNNXBMFYSA-N 2 2 299.418 3.332 20 0 CGADLP COCC(C)(C)CCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000342286863 216292003 /nfs/dbraw/zinc/29/20/03/216292003.db2.gz UGKXZTVPPZWYLU-UHFFFAOYSA-N 2 2 289.423 3.185 20 0 CGADLP C[C@H]([NH2+]CCCCCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182148533 189315303 /nfs/dbraw/zinc/31/53/03/189315303.db2.gz MIFJIMSHJZODOZ-HNNXBMFYSA-N 2 2 287.407 3.076 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000342318763 216309364 /nfs/dbraw/zinc/30/93/64/216309364.db2.gz SVIFEWNGXYRDGY-ZDUSSCGKSA-N 2 2 294.358 3.448 20 0 CGADLP COc1ccccc1[C@@H](CNc1cc(C)cc[nH+]1)[NH+](C)C ZINC000301646210 201114681 /nfs/dbraw/zinc/11/46/81/201114681.db2.gz PNFDOUJOWPCEOG-OAHLLOKOSA-N 2 2 285.391 3.113 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000301984205 201287450 /nfs/dbraw/zinc/28/74/50/201287450.db2.gz KMMDVRLCAYPQDA-RBSFLKMASA-N 2 2 261.413 3.168 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000449062016 239153197 /nfs/dbraw/zinc/15/31/97/239153197.db2.gz KGUWWYUFVMDKKM-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H](C[NH2+]CC1([NH+](C)C)CCC1)c1cc(F)cc(F)c1 ZINC000449265350 239277348 /nfs/dbraw/zinc/27/73/48/239277348.db2.gz PQMKXCHXHHKCNG-GFCCVEGCSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@@H+]1C ZINC000449233871 239259638 /nfs/dbraw/zinc/25/96/38/239259638.db2.gz NPOYDKQPUXVELU-VSVYTNTFSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CCC[N@H+]1C ZINC000449233871 239259642 /nfs/dbraw/zinc/25/96/42/239259642.db2.gz NPOYDKQPUXVELU-VSVYTNTFSA-N 2 2 294.483 3.329 20 0 CGADLP c1cn2c(cccc2C[NH2+]C23CCC(CC2)CC3)[nH+]1 ZINC000449532134 239501813 /nfs/dbraw/zinc/50/18/13/239501813.db2.gz CRVRVAQAHGUCSO-UHFFFAOYSA-N 2 2 255.365 3.147 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000119736370 370704633 /nfs/dbraw/zinc/70/46/33/370704633.db2.gz GMDDAJKXPIUUIY-LBPRGKRZSA-N 2 2 262.397 3.119 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119909081 370722007 /nfs/dbraw/zinc/72/20/07/370722007.db2.gz ZDOIQNDWDHVFHB-KFWWJZLASA-N 2 2 296.480 3.206 20 0 CGADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450876377 240131013 /nfs/dbraw/zinc/13/10/13/240131013.db2.gz PKCOKHQYMHNBNL-LJQANCHMSA-N 2 2 299.462 3.336 20 0 CGADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450876377 240131021 /nfs/dbraw/zinc/13/10/21/240131021.db2.gz PKCOKHQYMHNBNL-LJQANCHMSA-N 2 2 299.462 3.336 20 0 CGADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450876377 240131026 /nfs/dbraw/zinc/13/10/26/240131026.db2.gz PKCOKHQYMHNBNL-LJQANCHMSA-N 2 2 299.462 3.336 20 0 CGADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450876377 240131030 /nfs/dbraw/zinc/13/10/30/240131030.db2.gz PKCOKHQYMHNBNL-LJQANCHMSA-N 2 2 299.462 3.336 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000453431462 240938327 /nfs/dbraw/zinc/93/83/27/240938327.db2.gz RQNKEHWOWSNURJ-OAHLLOKOSA-N 2 2 289.467 3.460 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)on1 ZINC000121165829 370836404 /nfs/dbraw/zinc/83/64/04/370836404.db2.gz NPVAOLKJQYLIGZ-HEHGZKQESA-N 2 2 293.455 3.397 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)on1 ZINC000121165829 370836408 /nfs/dbraw/zinc/83/64/08/370836408.db2.gz NPVAOLKJQYLIGZ-HEHGZKQESA-N 2 2 293.455 3.397 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459286839 242053519 /nfs/dbraw/zinc/05/35/19/242053519.db2.gz YEIZOTZYXUCZEQ-ZDUSSCGKSA-N 2 2 283.375 3.402 20 0 CGADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459286839 242053522 /nfs/dbraw/zinc/05/35/22/242053522.db2.gz YEIZOTZYXUCZEQ-ZDUSSCGKSA-N 2 2 283.375 3.402 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC000459658009 242165696 /nfs/dbraw/zinc/16/56/96/242165696.db2.gz IOFXTHXTFZWQMY-WMZOPIPTSA-N 2 2 283.419 3.063 20 0 CGADLP Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc1C ZINC000459662575 242168569 /nfs/dbraw/zinc/16/85/69/242168569.db2.gz HBADVKYFUMCOBL-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP C[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCC[NH2+]C1 ZINC000423349087 291390127 /nfs/dbraw/zinc/39/01/27/291390127.db2.gz VAWQXUZLRCYIIG-OALUTQOASA-N 2 2 295.430 3.150 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816614 242367138 /nfs/dbraw/zinc/36/71/38/242367138.db2.gz MNIXJUIDYXUOEC-CJNGLKHVSA-N 2 2 280.843 3.121 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816614 242367141 /nfs/dbraw/zinc/36/71/41/242367141.db2.gz MNIXJUIDYXUOEC-CJNGLKHVSA-N 2 2 280.843 3.121 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816615 242367260 /nfs/dbraw/zinc/36/72/60/242367260.db2.gz MNIXJUIDYXUOEC-CZUORRHYSA-N 2 2 280.843 3.121 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816615 242367265 /nfs/dbraw/zinc/36/72/65/242367265.db2.gz MNIXJUIDYXUOEC-CZUORRHYSA-N 2 2 280.843 3.121 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC[C@H]1C ZINC000462834807 242368882 /nfs/dbraw/zinc/36/88/82/242368882.db2.gz AOXVYXSBCISERT-KJWYOANISA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC[C@H]1C ZINC000462834807 242368887 /nfs/dbraw/zinc/36/88/87/242368887.db2.gz AOXVYXSBCISERT-KJWYOANISA-N 2 2 272.436 3.240 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c(C)c1 ZINC000479434161 243103300 /nfs/dbraw/zinc/10/33/00/243103300.db2.gz CKRWWPIUQYLPJA-IFXJQAMLSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c(C)c1 ZINC000479434161 243103304 /nfs/dbraw/zinc/10/33/04/243103304.db2.gz CKRWWPIUQYLPJA-IFXJQAMLSA-N 2 2 297.446 3.357 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480634169 243158493 /nfs/dbraw/zinc/15/84/93/243158493.db2.gz ZULBTOIGENZDKY-RKVPGOIHSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480634169 243158497 /nfs/dbraw/zinc/15/84/97/243158497.db2.gz ZULBTOIGENZDKY-RKVPGOIHSA-N 2 2 272.436 3.241 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000482713546 243240467 /nfs/dbraw/zinc/24/04/67/243240467.db2.gz NKLGFQTWHXIBKY-JZXOWHBKSA-N 2 2 274.452 3.164 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000482713546 243240471 /nfs/dbraw/zinc/24/04/71/243240471.db2.gz NKLGFQTWHXIBKY-JZXOWHBKSA-N 2 2 274.452 3.164 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C)cc1 ZINC000482485523 243226935 /nfs/dbraw/zinc/22/69/35/243226935.db2.gz BONVOYGJFBOCQX-DOTOQJQBSA-N 2 2 262.441 3.102 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000482512957 243229813 /nfs/dbraw/zinc/22/98/13/243229813.db2.gz SPUZJOOSMXKHJH-KRWDZBQOSA-N 2 2 272.436 3.107 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000482512957 243229817 /nfs/dbraw/zinc/22/98/17/243229817.db2.gz SPUZJOOSMXKHJH-KRWDZBQOSA-N 2 2 272.436 3.107 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC1(C)C ZINC000486932901 243379333 /nfs/dbraw/zinc/37/93/33/243379333.db2.gz DMVOKUJVIYBXLB-WMLDXEAASA-N 2 2 283.419 3.456 20 0 CGADLP CCC[NH+](CCC)C1CCN(c2cccc[nH+]2)CC1 ZINC000122248499 370903902 /nfs/dbraw/zinc/90/39/02/370903902.db2.gz WTHASBQOOXIQFC-UHFFFAOYSA-N 2 2 261.413 3.172 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000034958727 368982969 /nfs/dbraw/zinc/98/29/69/368982969.db2.gz MORFDDPLOUQGTN-LLVKDONJSA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000034958727 368982970 /nfs/dbraw/zinc/98/29/70/368982970.db2.gz MORFDDPLOUQGTN-LLVKDONJSA-N 2 2 273.207 3.164 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996438 369047533 /nfs/dbraw/zinc/04/75/33/369047533.db2.gz PBVRXFYFYGLJAM-LSDHHAIUSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996438 369047537 /nfs/dbraw/zinc/04/75/37/369047537.db2.gz PBVRXFYFYGLJAM-LSDHHAIUSA-N 2 2 264.800 3.056 20 0 CGADLP Cc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)cs2)cc1 ZINC000036753962 369027261 /nfs/dbraw/zinc/02/72/61/369027261.db2.gz DIRLTFNIYJKXLI-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000036907682 369036927 /nfs/dbraw/zinc/03/69/27/369036927.db2.gz GASZCDZONSJXLP-TYNCELHUSA-N 2 2 266.816 3.158 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000036907682 369036933 /nfs/dbraw/zinc/03/69/33/369036933.db2.gz GASZCDZONSJXLP-TYNCELHUSA-N 2 2 266.816 3.158 20 0 CGADLP c1csc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000034973339 368985101 /nfs/dbraw/zinc/98/51/01/368985101.db2.gz SJAKPUBKPZKHHX-INIZCTEOSA-N 2 2 286.444 3.155 20 0 CGADLP c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000034973339 368985104 /nfs/dbraw/zinc/98/51/04/368985104.db2.gz SJAKPUBKPZKHHX-INIZCTEOSA-N 2 2 286.444 3.155 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000034992556 368986636 /nfs/dbraw/zinc/98/66/36/368986636.db2.gz CRCBMZBHADMODL-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000037140875 369067581 /nfs/dbraw/zinc/06/75/81/369067581.db2.gz TYYAFDXIQYTADC-LLVKDONJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000037140980 369067956 /nfs/dbraw/zinc/06/79/56/369067956.db2.gz MJSVTLJCJBALCP-GFCCVEGCSA-N 2 2 262.372 3.103 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140878 369068096 /nfs/dbraw/zinc/06/80/96/369068096.db2.gz YZQDTXRYJWFIRN-CQSZACIVSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140969 369068312 /nfs/dbraw/zinc/06/83/12/369068312.db2.gz RKWJIHAOCYMMIH-AWEZNQCLSA-N 2 2 288.435 3.281 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000037157164 369073150 /nfs/dbraw/zinc/07/31/50/369073150.db2.gz KFCFMZAEQLQDCU-NSHDSACASA-N 2 2 283.297 3.080 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000037156942 369073211 /nfs/dbraw/zinc/07/32/11/369073211.db2.gz KKSIRHLYWHZQLZ-ZYHUDNBSSA-N 2 2 263.410 3.301 20 0 CGADLP CCSCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337289217 376194793 /nfs/dbraw/zinc/19/47/93/376194793.db2.gz LTQMMFAPCHOZOV-RDJZCZTQSA-N 2 2 292.492 3.240 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c(F)c1 ZINC000037229305 369078437 /nfs/dbraw/zinc/07/84/37/369078437.db2.gz RIBNGNZHKHWWTK-AWEZNQCLSA-N 2 2 294.414 3.361 20 0 CGADLP CCSCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000337289217 376194802 /nfs/dbraw/zinc/19/48/02/376194802.db2.gz LTQMMFAPCHOZOV-RDJZCZTQSA-N 2 2 292.492 3.240 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1(C)CC1 ZINC000037468439 369085178 /nfs/dbraw/zinc/08/51/78/369085178.db2.gz WMAMPRJJKRRXDR-GFCCVEGCSA-N 2 2 257.381 3.123 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000037976728 369129686 /nfs/dbraw/zinc/12/96/86/369129686.db2.gz RCSPJWFABGDMOQ-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP c1csc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000042329365 369213344 /nfs/dbraw/zinc/21/33/44/369213344.db2.gz APULCGNXQNGNNJ-AWEZNQCLSA-N 2 2 261.394 3.076 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669689 244208195 /nfs/dbraw/zinc/20/81/95/244208195.db2.gz OYOBVOHBYVWZLA-WGDNJCCTSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669689 244208198 /nfs/dbraw/zinc/20/81/98/244208198.db2.gz OYOBVOHBYVWZLA-WGDNJCCTSA-N 2 2 290.426 3.392 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000494439833 244291015 /nfs/dbraw/zinc/29/10/15/244291015.db2.gz VTCTYHGXUYYPDK-IAGOWNOFSA-N 2 2 283.419 3.371 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000045663838 369283806 /nfs/dbraw/zinc/28/38/06/369283806.db2.gz IOUPXDIZGCVAHU-LBPRGKRZSA-N 2 2 286.366 3.280 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@@H](C)CC[NH+](C)C ZINC000063106023 369640419 /nfs/dbraw/zinc/64/04/19/369640419.db2.gz GDKWPROBIQDEJZ-ZDUSSCGKSA-N 2 2 257.381 3.295 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191878 369642170 /nfs/dbraw/zinc/64/21/70/369642170.db2.gz AHPDORFRGLYIEH-IUODEOHRSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191878 369642173 /nfs/dbraw/zinc/64/21/73/369642173.db2.gz AHPDORFRGLYIEH-IUODEOHRSA-N 2 2 264.438 3.110 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083443112 370004986 /nfs/dbraw/zinc/00/49/86/370004986.db2.gz WWCULMFOJSYLTP-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000090208736 370059242 /nfs/dbraw/zinc/05/92/42/370059242.db2.gz SUTUYXFGKPCGAO-DOTOQJQBSA-N 2 2 292.471 3.064 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000090721832 370067070 /nfs/dbraw/zinc/06/70/70/370067070.db2.gz HZXQQYXTVOUHSS-DGCLKSJQSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000090721832 370067076 /nfs/dbraw/zinc/06/70/76/370067076.db2.gz HZXQQYXTVOUHSS-DGCLKSJQSA-N 2 2 286.341 3.278 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)cc1C ZINC000091892673 370076210 /nfs/dbraw/zinc/07/62/10/370076210.db2.gz NKDRLOCWHLJTSP-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(F)cc1C ZINC000091892673 370076213 /nfs/dbraw/zinc/07/62/13/370076213.db2.gz NKDRLOCWHLJTSP-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1C ZINC000091892673 370076217 /nfs/dbraw/zinc/07/62/17/370076217.db2.gz NKDRLOCWHLJTSP-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1C ZINC000091892673 370076220 /nfs/dbraw/zinc/07/62/20/370076220.db2.gz NKDRLOCWHLJTSP-SJORKVTESA-N 2 2 276.399 3.193 20 0 CGADLP C[C@@H](CC[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097929140 370257369 /nfs/dbraw/zinc/25/73/69/370257369.db2.gz REZAXWRGYRWUFU-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C12CCCCC2 ZINC000097928119 370257770 /nfs/dbraw/zinc/25/77/70/370257770.db2.gz GAOXDXVKRPTGGG-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP Clc1ccccc1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793640 370366699 /nfs/dbraw/zinc/36/66/99/370366699.db2.gz SANLLFQXBOIEGR-UHFFFAOYSA-N 2 2 289.810 3.416 20 0 CGADLP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000118416651 370615242 /nfs/dbraw/zinc/61/52/42/370615242.db2.gz CHZNRKXLSREGFD-KGLIPLIRSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000118416651 370615247 /nfs/dbraw/zinc/61/52/47/370615247.db2.gz CHZNRKXLSREGFD-KGLIPLIRSA-N 2 2 287.432 3.198 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC000119030628 370638156 /nfs/dbraw/zinc/63/81/56/370638156.db2.gz AKDGSUSSVZMZRQ-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccsc1 ZINC000119030628 370638163 /nfs/dbraw/zinc/63/81/63/370638163.db2.gz AKDGSUSSVZMZRQ-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccsc1 ZINC000119030628 370638171 /nfs/dbraw/zinc/63/81/71/370638171.db2.gz AKDGSUSSVZMZRQ-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccsc1 ZINC000119030628 370638177 /nfs/dbraw/zinc/63/81/77/370638177.db2.gz AKDGSUSSVZMZRQ-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000129596916 370994575 /nfs/dbraw/zinc/99/45/75/370994575.db2.gz SKKGXWLVCQXZDS-LBPRGKRZSA-N 2 2 284.856 3.463 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000131898738 371137311 /nfs/dbraw/zinc/13/73/11/371137311.db2.gz WKVIYEPIRMOQRG-JKSUJKDBSA-N 2 2 256.324 3.060 20 0 CGADLP CSC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131570927 371116459 /nfs/dbraw/zinc/11/64/59/371116459.db2.gz TXBWUKZHGUNQIZ-CHWSQXEVSA-N 2 2 275.421 3.274 20 0 CGADLP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136087689 371459865 /nfs/dbraw/zinc/45/98/65/371459865.db2.gz CDVOCHONSIQQIE-QWYBNYMASA-N 2 2 281.403 3.479 20 0 CGADLP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136087689 371459871 /nfs/dbraw/zinc/45/98/71/371459871.db2.gz CDVOCHONSIQQIE-QWYBNYMASA-N 2 2 281.403 3.479 20 0 CGADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000421803868 371636693 /nfs/dbraw/zinc/63/66/93/371636693.db2.gz RZBGABZZHDEKHN-MRXNPFEDSA-N 2 2 291.370 3.018 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1Cl ZINC000421819312 371642744 /nfs/dbraw/zinc/64/27/44/371642744.db2.gz GNIHEXFSJALUQB-NSHDSACASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccncc1 ZINC000287354144 371643877 /nfs/dbraw/zinc/64/38/77/371643877.db2.gz NRHOPNYCNSORMD-FCEWJHQRSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccncc1 ZINC000287354144 371643879 /nfs/dbraw/zinc/64/38/79/371643879.db2.gz NRHOPNYCNSORMD-FCEWJHQRSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H]([NH2+]CCOC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000287908136 371716670 /nfs/dbraw/zinc/71/66/70/371716670.db2.gz VGZIIMZHCHFSFA-CQSZACIVSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@@H]([NH2+]CCCC1(O)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000421860725 371683962 /nfs/dbraw/zinc/68/39/62/371683962.db2.gz SMAYYTRRYHWBOQ-OAHLLOKOSA-N 2 2 299.418 3.218 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@H+](C)C1CC1 ZINC000337346190 214020699 /nfs/dbraw/zinc/02/06/99/214020699.db2.gz VYNONMUPRDBAPH-INMHGKMJSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000337346190 214020701 /nfs/dbraw/zinc/02/07/01/214020701.db2.gz VYNONMUPRDBAPH-INMHGKMJSA-N 2 2 287.451 3.180 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000422635663 371755557 /nfs/dbraw/zinc/75/55/57/371755557.db2.gz LUWGQNKZRKOBCV-RDBSUJKOSA-N 2 2 295.496 3.291 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000422635663 371755558 /nfs/dbraw/zinc/75/55/58/371755558.db2.gz LUWGQNKZRKOBCV-RDBSUJKOSA-N 2 2 295.496 3.291 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422696627 371757535 /nfs/dbraw/zinc/75/75/35/371757535.db2.gz SFAKRIOWYHUOEK-CRAIPNDOSA-N 2 2 290.451 3.233 20 0 CGADLP C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422743530 371779567 /nfs/dbraw/zinc/77/95/67/371779567.db2.gz RQPDTAVRDFDHIY-OLZOCXBDSA-N 2 2 295.496 3.103 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153797581 371789659 /nfs/dbraw/zinc/78/96/59/371789659.db2.gz USTUJMKAEIIBEL-GOEBONIOSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153797581 371789667 /nfs/dbraw/zinc/78/96/67/371789667.db2.gz USTUJMKAEIIBEL-GOEBONIOSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000353338014 220034087 /nfs/dbraw/zinc/03/40/87/220034087.db2.gz QZORVUKMGRLMFN-KRWDZBQOSA-N 2 2 291.414 3.134 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000344035497 217021221 /nfs/dbraw/zinc/02/12/21/217021221.db2.gz RNZNIKJBLSSUJT-WRQOLXDDSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000344035497 217021225 /nfs/dbraw/zinc/02/12/25/217021225.db2.gz RNZNIKJBLSSUJT-WRQOLXDDSA-N 2 2 294.483 3.043 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000422785064 371805188 /nfs/dbraw/zinc/80/51/88/371805188.db2.gz QQCANKIWIIUYCR-ZIAGYGMSSA-N 2 2 297.240 3.199 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)on1 ZINC000422783831 371805226 /nfs/dbraw/zinc/80/52/26/371805226.db2.gz LJVOPTSIJVOTKN-LLVKDONJSA-N 2 2 288.395 3.237 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](OC)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422793985 371812714 /nfs/dbraw/zinc/81/27/14/371812714.db2.gz XXAPBESLYRSTFP-OWCLPIDISA-N 2 2 296.842 3.148 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422813747 371827413 /nfs/dbraw/zinc/82/74/13/371827413.db2.gz ZSZLAADMYIYURC-MISXGVKJSA-N 2 2 284.350 3.079 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccc(Cl)cc2C1 ZINC000154379787 371843145 /nfs/dbraw/zinc/84/31/45/371843145.db2.gz BODIFDSCGLNIKZ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccc(Cl)cc2C1 ZINC000154379787 371843152 /nfs/dbraw/zinc/84/31/52/371843152.db2.gz BODIFDSCGLNIKZ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000154379787 371843158 /nfs/dbraw/zinc/84/31/58/371843158.db2.gz BODIFDSCGLNIKZ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000154379787 371843166 /nfs/dbraw/zinc/84/31/66/371843166.db2.gz BODIFDSCGLNIKZ-INIZCTEOSA-N 2 2 278.827 3.182 20 0 CGADLP CSc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422880792 371851778 /nfs/dbraw/zinc/85/17/78/371851778.db2.gz ORBXKRWJKTVVOH-DOMZBBRYSA-N 2 2 264.438 3.029 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422884044 371853354 /nfs/dbraw/zinc/85/33/54/371853354.db2.gz RLOASKLGLVUWDK-CKEIUWERSA-N 2 2 276.424 3.265 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422896143 371860005 /nfs/dbraw/zinc/86/00/05/371860005.db2.gz XNZCYJFIBPRSKU-GJZGRUSLSA-N 2 2 285.391 3.091 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000289957476 371861370 /nfs/dbraw/zinc/86/13/70/371861370.db2.gz IIMWRRIHIMWBSZ-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000289957476 371861376 /nfs/dbraw/zinc/86/13/76/371861376.db2.gz IIMWRRIHIMWBSZ-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916652 371867475 /nfs/dbraw/zinc/86/74/75/371867475.db2.gz BHGPMRMCPQCSAA-APHBMKBZSA-N 2 2 296.842 3.148 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422999648 371908731 /nfs/dbraw/zinc/90/87/31/371908731.db2.gz FOJVGWGNDPXZRD-DLBZAZTESA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cncc(F)c1 ZINC000423034703 371926773 /nfs/dbraw/zinc/92/67/73/371926773.db2.gz QIOJWAYFCBZLGV-CIISACIHSA-N 2 2 271.339 3.016 20 0 CGADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423097524 371960257 /nfs/dbraw/zinc/96/02/57/371960257.db2.gz JEZHXYGRZKZQEZ-GOEBONIOSA-N 2 2 258.409 3.042 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000290376346 371976009 /nfs/dbraw/zinc/97/60/09/371976009.db2.gz NRWJOTZIQRGGRI-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP CCSCC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290434618 371988078 /nfs/dbraw/zinc/98/80/78/371988078.db2.gz RXNJHYNQNKRAMK-CQSZACIVSA-N 2 2 266.454 3.444 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC=C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423070360 371946260 /nfs/dbraw/zinc/94/62/60/371946260.db2.gz NAIOIVXYFSCRID-ZWKOTPCHSA-N 2 2 288.435 3.434 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000155981345 371956889 /nfs/dbraw/zinc/95/68/89/371956889.db2.gz DYYBMDYDMROFFS-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000155981345 371956892 /nfs/dbraw/zinc/95/68/92/371956892.db2.gz DYYBMDYDMROFFS-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423195435 372018954 /nfs/dbraw/zinc/01/89/54/372018954.db2.gz SMMZSHYYLMJPPQ-ZWNOBZJWSA-N 2 2 270.779 3.272 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423196702 372021210 /nfs/dbraw/zinc/02/12/10/372021210.db2.gz VYNMROQMHREMKK-KGLIPLIRSA-N 2 2 284.403 3.251 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423198980 372023660 /nfs/dbraw/zinc/02/36/60/372023660.db2.gz IWZJUSZUXGNHKF-AWEZNQCLSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290591058 372025031 /nfs/dbraw/zinc/02/50/31/372025031.db2.gz VGZPYADNSQUQAA-IPMKNSEASA-N 2 2 278.399 3.251 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423209618 372032362 /nfs/dbraw/zinc/03/23/62/372032362.db2.gz VHOOYUXVTZFGAN-WMZOPIPTSA-N 2 2 284.403 3.251 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423215773 372035656 /nfs/dbraw/zinc/03/56/56/372035656.db2.gz OUQXKNOYZMPFSY-SJLPKXTDSA-N 2 2 284.378 3.061 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CSCCc2ccccc21)c1ccccc1 ZINC000423249394 372042478 /nfs/dbraw/zinc/04/24/78/372042478.db2.gz SXYADOCRMSBPEO-QZTJIDSGSA-N 2 2 298.455 3.307 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)CCS2 ZINC000423261788 372044666 /nfs/dbraw/zinc/04/46/66/372044666.db2.gz KWBFGTLPJZLNRE-IUODEOHRSA-N 2 2 294.464 3.195 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423300359 372050028 /nfs/dbraw/zinc/05/00/28/372050028.db2.gz RJRXQIXKIKDFQK-ZYHUDNBSSA-N 2 2 256.340 3.133 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423185421 372013786 /nfs/dbraw/zinc/01/37/86/372013786.db2.gz JHWWXVISHRDFKA-LSDHHAIUSA-N 2 2 298.352 3.498 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423484573 372069003 /nfs/dbraw/zinc/06/90/03/372069003.db2.gz YPHOYWLXSCAMMZ-ZYHUDNBSSA-N 2 2 273.207 3.308 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccsc2S1 ZINC000423561063 372072673 /nfs/dbraw/zinc/07/26/73/372072673.db2.gz POWXQFGWOJEFCW-LOWVWBTDSA-N 2 2 282.478 3.405 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038095978 541866212 /nfs/dbraw/zinc/86/62/12/541866212.db2.gz ZEBQAUQWYUTBLR-WMLDXEAASA-N 2 2 285.391 3.092 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCO[C@@H](C)C3)cc2)c1C ZINC000291029909 372099696 /nfs/dbraw/zinc/09/96/96/372099696.db2.gz BINMLHLLOGOWPE-LRDDRELGSA-N 2 2 285.391 3.469 20 0 CGADLP CCC(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000428548496 372230320 /nfs/dbraw/zinc/23/03/20/372230320.db2.gz FFCFLSLOTCVSQB-UHFFFAOYSA-N 2 2 263.410 3.460 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672229 541868930 /nfs/dbraw/zinc/86/89/30/541868930.db2.gz RKTPKVVYPYVYQR-PBHICJAKSA-N 2 2 260.425 3.384 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672229 541868933 /nfs/dbraw/zinc/86/89/33/541868933.db2.gz RKTPKVVYPYVYQR-PBHICJAKSA-N 2 2 260.425 3.384 20 0 CGADLP COCC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000429260924 372330930 /nfs/dbraw/zinc/33/09/30/372330930.db2.gz YMJBFOJETIEJPN-UHFFFAOYSA-N 2 2 287.407 3.038 20 0 CGADLP COCC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000429260924 372330940 /nfs/dbraw/zinc/33/09/40/372330940.db2.gz YMJBFOJETIEJPN-UHFFFAOYSA-N 2 2 287.407 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccsc2C)cn1 ZINC000293469922 372390716 /nfs/dbraw/zinc/39/07/16/372390716.db2.gz DVZNZJMJZDBKJG-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP CCc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)o1 ZINC000344351475 217164464 /nfs/dbraw/zinc/16/44/64/217164464.db2.gz NPYJTCMYQNRHAG-CQSZACIVSA-N 2 2 264.413 3.196 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000163289896 372460260 /nfs/dbraw/zinc/46/02/60/372460260.db2.gz YAJHBHIYFZLXSM-HIFRSBDPSA-N 2 2 296.480 3.126 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000163289896 372460261 /nfs/dbraw/zinc/46/02/61/372460261.db2.gz YAJHBHIYFZLXSM-HIFRSBDPSA-N 2 2 296.480 3.126 20 0 CGADLP CCC[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000293809792 372488118 /nfs/dbraw/zinc/48/81/18/372488118.db2.gz YYBYSYLTPPHBRX-PBHICJAKSA-N 2 2 287.407 3.338 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCC2 ZINC000166316615 372569487 /nfs/dbraw/zinc/56/94/87/372569487.db2.gz QQXFVOYERAKGRB-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCC2 ZINC000166316615 372569495 /nfs/dbraw/zinc/56/94/95/372569495.db2.gz QQXFVOYERAKGRB-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000353364444 220046074 /nfs/dbraw/zinc/04/60/74/220046074.db2.gz PSVFFQOZNWBCBM-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000353364444 220046075 /nfs/dbraw/zinc/04/60/75/220046075.db2.gz PSVFFQOZNWBCBM-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP COC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000353386329 220057197 /nfs/dbraw/zinc/05/71/97/220057197.db2.gz NMPJADPNEPFKGE-MRXNPFEDSA-N 2 2 298.858 3.347 20 0 CGADLP COC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(Cl)c1 ZINC000353386329 220057198 /nfs/dbraw/zinc/05/71/98/220057198.db2.gz NMPJADPNEPFKGE-MRXNPFEDSA-N 2 2 298.858 3.347 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)ccc1F)CCC2 ZINC000344512918 217215896 /nfs/dbraw/zinc/21/58/96/217215896.db2.gz KUBJPDXQGCIBBY-CQSZACIVSA-N 2 2 287.382 3.306 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)o1 ZINC000344548330 217226770 /nfs/dbraw/zinc/22/67/70/217226770.db2.gz NCEOKKHHUQGKIP-CYBMUJFWSA-N 2 2 273.380 3.014 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2ccncc2C)[NH+](C)C)cc1 ZINC000295212301 372703387 /nfs/dbraw/zinc/70/33/87/372703387.db2.gz QDGKIWCVDRRPQG-SFHVURJKSA-N 2 2 283.419 3.091 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434746185 372706798 /nfs/dbraw/zinc/70/67/98/372706798.db2.gz IOQJHLCBLIOBAC-GOSISDBHSA-N 2 2 283.419 3.164 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434746185 372706800 /nfs/dbraw/zinc/70/68/00/372706800.db2.gz IOQJHLCBLIOBAC-GOSISDBHSA-N 2 2 283.419 3.164 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OCC ZINC000171126914 372716807 /nfs/dbraw/zinc/71/68/07/372716807.db2.gz JMVNLHFARBPOIH-LBPRGKRZSA-N 2 2 289.379 3.058 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790833 372809110 /nfs/dbraw/zinc/80/91/10/372809110.db2.gz NYQHPLXBHZYPBW-VMUDFCTBSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000435790833 372809122 /nfs/dbraw/zinc/80/91/22/372809122.db2.gz NYQHPLXBHZYPBW-VMUDFCTBSA-N 2 2 276.399 3.002 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C)c1 ZINC000353512463 220128581 /nfs/dbraw/zinc/12/85/81/220128581.db2.gz CTQZJMZXSGUSQA-SJORKVTESA-N 2 2 292.492 3.473 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(O)c1Cl ZINC000353525276 220137957 /nfs/dbraw/zinc/13/79/57/220137957.db2.gz XOQWCAUACHMXST-UHFFFAOYSA-N 2 2 296.842 3.353 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(O)c1Cl ZINC000353525276 220137960 /nfs/dbraw/zinc/13/79/60/220137960.db2.gz XOQWCAUACHMXST-UHFFFAOYSA-N 2 2 296.842 3.353 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000442706771 373067687 /nfs/dbraw/zinc/06/76/87/373067687.db2.gz DZGXVPFPZMWGJY-OLZOCXBDSA-N 2 2 275.421 3.344 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000442774428 373078110 /nfs/dbraw/zinc/07/81/10/373078110.db2.gz ZCYDINYOMUAKQK-IKWCTNDRSA-N 2 2 272.383 3.025 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000442774428 373078119 /nfs/dbraw/zinc/07/81/19/373078119.db2.gz ZCYDINYOMUAKQK-IKWCTNDRSA-N 2 2 272.383 3.025 20 0 CGADLP c1c[nH+]c([C@H](Nc2cc(C3CC3)cc[nH+]2)c2cccnc2)[nH]1 ZINC000353555862 220155311 /nfs/dbraw/zinc/15/53/11/220155311.db2.gz DVRKXPSVMBWTKY-MRXNPFEDSA-N 2 2 291.358 3.279 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000296534670 373167307 /nfs/dbraw/zinc/16/73/07/373167307.db2.gz STKBNPPKFKLDLW-INIZCTEOSA-N 2 2 297.402 3.064 20 0 CGADLP C[C@H]1COc2ccccc2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444609233 373212325 /nfs/dbraw/zinc/21/23/25/373212325.db2.gz BAOWHZXCUDNNRJ-INIZCTEOSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@H]1COc2ccccc2C[N@H+]1CCC[NH+]1CCCCC1 ZINC000444609233 373212331 /nfs/dbraw/zinc/21/23/31/373212331.db2.gz BAOWHZXCUDNNRJ-INIZCTEOSA-N 2 2 288.435 3.146 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1F ZINC000173958835 373224642 /nfs/dbraw/zinc/22/46/42/373224642.db2.gz TWZOTWZYHGDNBC-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(F)c1F ZINC000173958835 373224654 /nfs/dbraw/zinc/22/46/54/373224654.db2.gz TWZOTWZYHGDNBC-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(F)c1F ZINC000173958835 373224662 /nfs/dbraw/zinc/22/46/62/373224662.db2.gz TWZOTWZYHGDNBC-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(F)c1F ZINC000173958835 373224668 /nfs/dbraw/zinc/22/46/68/373224668.db2.gz TWZOTWZYHGDNBC-AWEZNQCLSA-N 2 2 282.378 3.271 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000444569182 373204426 /nfs/dbraw/zinc/20/44/26/373204426.db2.gz FEIIHIYKTMOJAH-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000444569182 373204431 /nfs/dbraw/zinc/20/44/31/373204431.db2.gz FEIIHIYKTMOJAH-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CCCCC1 ZINC000174413919 373310816 /nfs/dbraw/zinc/31/08/16/373310816.db2.gz NVRBIGGGWNEIFI-UHFFFAOYSA-N 2 2 271.408 3.428 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2Cl)C1 ZINC000447310187 373421231 /nfs/dbraw/zinc/42/12/31/373421231.db2.gz VKBFOLCDTTUQHU-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cc2Cl)C1 ZINC000447310187 373421237 /nfs/dbraw/zinc/42/12/37/373421237.db2.gz VKBFOLCDTTUQHU-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC000447310187 373421245 /nfs/dbraw/zinc/42/12/45/373421245.db2.gz VKBFOLCDTTUQHU-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000447310187 373421248 /nfs/dbraw/zinc/42/12/48/373421248.db2.gz VKBFOLCDTTUQHU-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CCc1cnc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000353615353 220193307 /nfs/dbraw/zinc/19/33/07/220193307.db2.gz KZCCLVPWWKXCKE-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP CCc1cnc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)s1 ZINC000353615353 220193311 /nfs/dbraw/zinc/19/33/11/220193311.db2.gz KZCCLVPWWKXCKE-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447590485 373460053 /nfs/dbraw/zinc/46/00/53/373460053.db2.gz CVDBKFNVNWCJFB-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447590485 373460059 /nfs/dbraw/zinc/46/00/59/373460059.db2.gz CVDBKFNVNWCJFB-SJLPKXTDSA-N 2 2 288.410 3.420 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447898715 373519846 /nfs/dbraw/zinc/51/98/46/373519846.db2.gz YGAVQAOYCXVXKO-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447898715 373519850 /nfs/dbraw/zinc/51/98/50/373519850.db2.gz YGAVQAOYCXVXKO-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000447902488 373521864 /nfs/dbraw/zinc/52/18/64/373521864.db2.gz JZPAMLHBNXXSAR-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000447902488 373521871 /nfs/dbraw/zinc/52/18/71/373521871.db2.gz JZPAMLHBNXXSAR-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)c[nH+]1 ZINC000353647792 220220453 /nfs/dbraw/zinc/22/04/53/220220453.db2.gz HMVCARHKARBSIP-GOSISDBHSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCCOC3)C2)c[nH+]1 ZINC000353647792 220220457 /nfs/dbraw/zinc/22/04/57/220220457.db2.gz HMVCARHKARBSIP-GOSISDBHSA-N 2 2 288.435 3.215 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CSC[C@H]2C)[NH+](C)C)cc1 ZINC000449060013 373658018 /nfs/dbraw/zinc/65/80/18/373658018.db2.gz CCVCLMDLACISLL-COXVUDFISA-N 2 2 292.492 3.193 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177287599 373672264 /nfs/dbraw/zinc/67/22/64/373672264.db2.gz JWIFWICJRABFFF-UONOGXRCSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000177287599 373672275 /nfs/dbraw/zinc/67/22/75/373672275.db2.gz JWIFWICJRABFFF-UONOGXRCSA-N 2 2 296.842 3.101 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C ZINC000177339094 373676570 /nfs/dbraw/zinc/67/65/70/373676570.db2.gz KUQZUBRPIHUHNS-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1C ZINC000177339094 373676580 /nfs/dbraw/zinc/67/65/80/373676580.db2.gz KUQZUBRPIHUHNS-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C ZINC000177339094 373676586 /nfs/dbraw/zinc/67/65/86/373676586.db2.gz KUQZUBRPIHUHNS-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C ZINC000177339094 373676600 /nfs/dbraw/zinc/67/66/00/373676600.db2.gz KUQZUBRPIHUHNS-SJORKVTESA-N 2 2 258.409 3.054 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177705637 373701986 /nfs/dbraw/zinc/70/19/86/373701986.db2.gz JYRLLHXGNVIBPS-KRWDZBQOSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCC1 ZINC000177895593 373722528 /nfs/dbraw/zinc/72/25/28/373722528.db2.gz SXYXXFBDXJRJKE-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178310407 373765580 /nfs/dbraw/zinc/76/55/80/373765580.db2.gz KIFFKSMWHOKDPY-INIZCTEOSA-N 2 2 286.419 3.118 20 0 CGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccoc3)CC2)C1 ZINC000178475479 373782056 /nfs/dbraw/zinc/78/20/56/373782056.db2.gz FOWBBPZCUBGKCH-WMLDXEAASA-N 2 2 276.424 3.412 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178651144 373801906 /nfs/dbraw/zinc/80/19/06/373801906.db2.gz JPHUTXICMACFSP-BBRMVZONSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178651144 373801910 /nfs/dbraw/zinc/80/19/10/373801910.db2.gz JPHUTXICMACFSP-BBRMVZONSA-N 2 2 258.409 3.093 20 0 CGADLP COc1cccc2c(NCC[N@H+]3CC=C(C)CC3)cc[nH+]c12 ZINC000302516890 373886124 /nfs/dbraw/zinc/88/61/24/373886124.db2.gz HNTLMBWKIRWVKK-UHFFFAOYSA-N 2 2 297.402 3.307 20 0 CGADLP COc1cccc2c(NCC[N@@H+]3CC=C(C)CC3)cc[nH+]c12 ZINC000302516890 373886131 /nfs/dbraw/zinc/88/61/31/373886131.db2.gz HNTLMBWKIRWVKK-UHFFFAOYSA-N 2 2 297.402 3.307 20 0 CGADLP Cc1ccccc1OCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179620657 373896670 /nfs/dbraw/zinc/89/66/70/373896670.db2.gz KHIPEAASLJIOPG-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP Cc1ccccc1OCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179620657 373896679 /nfs/dbraw/zinc/89/66/79/373896679.db2.gz KHIPEAASLJIOPG-UHFFFAOYSA-N 2 2 295.386 3.154 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000449699803 373847315 /nfs/dbraw/zinc/84/73/15/373847315.db2.gz ACACJAGAYFVVKA-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Cn1c2ccccc2[nH+]c1NCCCCNc1cccc[nH+]1 ZINC000179289180 373854382 /nfs/dbraw/zinc/85/43/82/373854382.db2.gz GNGNRJYKKGATBA-UHFFFAOYSA-N 2 2 295.390 3.273 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180052524 373959432 /nfs/dbraw/zinc/95/94/32/373959432.db2.gz WDURNTCWDJCFKQ-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180052524 373959439 /nfs/dbraw/zinc/95/94/39/373959439.db2.gz WDURNTCWDJCFKQ-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000302782682 373960529 /nfs/dbraw/zinc/96/05/29/373960529.db2.gz SRKZCDPXLDRMAJ-KBPBESRZSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180261456 373984670 /nfs/dbraw/zinc/98/46/70/373984670.db2.gz RXTDWXSWKOEHIQ-MAUKXSAKSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000181604416 374146113 /nfs/dbraw/zinc/14/61/13/374146113.db2.gz GTANPTYVMYQDNA-HNNXBMFYSA-N 2 2 279.334 3.148 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309862429 374201832 /nfs/dbraw/zinc/20/18/32/374201832.db2.gz DNBTWZJISDPWLS-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309862429 374201838 /nfs/dbraw/zinc/20/18/38/374201838.db2.gz DNBTWZJISDPWLS-LMSBXDPUSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1Br)C[NH+](C)C ZINC000310131132 374208485 /nfs/dbraw/zinc/20/84/85/374208485.db2.gz KTCZJEMFHMVENL-NEPJUHHUSA-N 2 2 299.256 3.297 20 0 CGADLP Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000311665482 374251924 /nfs/dbraw/zinc/25/19/24/374251924.db2.gz GXLXOLZDYJEBIE-CYBMUJFWSA-N 2 2 264.417 3.049 20 0 CGADLP Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000311665482 374251928 /nfs/dbraw/zinc/25/19/28/374251928.db2.gz GXLXOLZDYJEBIE-CYBMUJFWSA-N 2 2 264.417 3.049 20 0 CGADLP Clc1sccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000312619235 374287168 /nfs/dbraw/zinc/28/71/68/374287168.db2.gz UDECSWYEKBDCPF-NEPJUHHUSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1sccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312619235 374287175 /nfs/dbraw/zinc/28/71/75/374287175.db2.gz UDECSWYEKBDCPF-NEPJUHHUSA-N 2 2 270.829 3.118 20 0 CGADLP c1cn(CCC[NH+]2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000182618754 374299951 /nfs/dbraw/zinc/29/99/51/374299951.db2.gz RNIFHWGVXPGQQP-UHFFFAOYSA-N 2 2 269.392 3.153 20 0 CGADLP [NH3+][C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000314410080 374317175 /nfs/dbraw/zinc/31/71/75/374317175.db2.gz XSFMNOZLXUGCBX-MOPGFXCFSA-N 2 2 280.415 3.046 20 0 CGADLP [NH3+][C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000314410080 374317180 /nfs/dbraw/zinc/31/71/80/374317180.db2.gz XSFMNOZLXUGCBX-MOPGFXCFSA-N 2 2 280.415 3.046 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000314444236 374317616 /nfs/dbraw/zinc/31/76/16/374317616.db2.gz XYHVZEKRWVGNBJ-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1 ZINC000182782333 374326602 /nfs/dbraw/zinc/32/66/02/374326602.db2.gz OZWXZXIAOKNEDJ-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1 ZINC000182782333 374326605 /nfs/dbraw/zinc/32/66/05/374326605.db2.gz OZWXZXIAOKNEDJ-UHFFFAOYSA-N 2 2 277.799 3.101 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2nccs2)CC1 ZINC000080264205 541922077 /nfs/dbraw/zinc/92/20/77/541922077.db2.gz ZINRBAMMYWDZIS-CYBMUJFWSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000316700411 374336727 /nfs/dbraw/zinc/33/67/27/374336727.db2.gz BWPSWVCYQAQEKX-HLLBOEOZSA-N 3 2 298.434 3.006 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984935 541924327 /nfs/dbraw/zinc/92/43/27/541924327.db2.gz HAMCLNJFUANNEB-MRXNPFEDSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984935 541924332 /nfs/dbraw/zinc/92/43/32/541924332.db2.gz HAMCLNJFUANNEB-MRXNPFEDSA-N 2 2 299.418 3.285 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000081144496 541925128 /nfs/dbraw/zinc/92/51/28/541925128.db2.gz LNQBJVXNDJIRBY-QGZVFWFLSA-N 2 2 271.408 3.274 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCCC2)[N@H+](C)C1CC1 ZINC000328126012 374360431 /nfs/dbraw/zinc/36/04/31/374360431.db2.gz UAOQAGVWVXZAHT-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCCC2)[N@@H+](C)C1CC1 ZINC000328126012 374360436 /nfs/dbraw/zinc/36/04/36/374360436.db2.gz UAOQAGVWVXZAHT-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP CCC1([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000453287943 374393892 /nfs/dbraw/zinc/39/38/92/374393892.db2.gz LDIMEHKBOBOBIH-ZBFHGGJFSA-N 2 2 258.409 3.354 20 0 CGADLP CCC1([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000453287943 374393901 /nfs/dbraw/zinc/39/39/01/374393901.db2.gz LDIMEHKBOBOBIH-ZBFHGGJFSA-N 2 2 258.409 3.354 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000184296895 374511454 /nfs/dbraw/zinc/51/14/54/374511454.db2.gz RUXHWWODFDMWEX-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000091335518 541966394 /nfs/dbraw/zinc/96/63/94/541966394.db2.gz IHFVHSNLXSWQLX-ZWKOTPCHSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000091335518 541966398 /nfs/dbraw/zinc/96/63/98/541966398.db2.gz IHFVHSNLXSWQLX-ZWKOTPCHSA-N 2 2 272.436 3.458 20 0 CGADLP FC1(F)CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000334526226 374822209 /nfs/dbraw/zinc/82/22/09/374822209.db2.gz JUJIJADWVJQEDA-CYBMUJFWSA-N 2 2 283.366 3.346 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCCC4(CC4)C3)cc2)c[nH+]1 ZINC000186624108 374888568 /nfs/dbraw/zinc/88/85/68/374888568.db2.gz JBQZQKKHAMDOEI-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCCC4(CC4)C3)cc2)c[nH+]1 ZINC000186624108 374888573 /nfs/dbraw/zinc/88/85/73/374888573.db2.gz JBQZQKKHAMDOEI-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000334646516 374939220 /nfs/dbraw/zinc/93/92/20/374939220.db2.gz YCBDFYOIGTXRHQ-SNVBAGLBSA-N 2 2 296.201 3.364 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000334646516 374939228 /nfs/dbraw/zinc/93/92/28/374939228.db2.gz YCBDFYOIGTXRHQ-SNVBAGLBSA-N 2 2 296.201 3.364 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC3CCCCC3)CC2)CCO1 ZINC000472560968 375024740 /nfs/dbraw/zinc/02/47/40/375024740.db2.gz DLUWMOCCTCYXHZ-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCC3CCCCC3)CC2)CCO1 ZINC000472560968 375024744 /nfs/dbraw/zinc/02/47/44/375024744.db2.gz DLUWMOCCTCYXHZ-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000474105519 375080246 /nfs/dbraw/zinc/08/02/46/375080246.db2.gz KTEUIJHCYQQOIZ-UHFFFAOYSA-N 2 2 290.426 3.448 20 0 CGADLP CCc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000189090480 375322499 /nfs/dbraw/zinc/32/24/99/375322499.db2.gz LYEPGKRZILMIAJ-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC1(c2ccccc2)CC1 ZINC000188716392 375259309 /nfs/dbraw/zinc/25/93/09/375259309.db2.gz LOFOXNLTGSLMNK-UHFFFAOYSA-N 2 2 291.398 3.498 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC1(c2ccccc2)CC1 ZINC000188716392 375259313 /nfs/dbraw/zinc/25/93/13/375259313.db2.gz LOFOXNLTGSLMNK-UHFFFAOYSA-N 2 2 291.398 3.498 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000189479746 375395811 /nfs/dbraw/zinc/39/58/11/375395811.db2.gz WYFPNPCERDMGEA-BBRMVZONSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000189479746 375395816 /nfs/dbraw/zinc/39/58/16/375395816.db2.gz WYFPNPCERDMGEA-BBRMVZONSA-N 2 2 290.476 3.264 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000189883582 375456945 /nfs/dbraw/zinc/45/69/45/375456945.db2.gz IYEKMGSFWOPGBY-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000494879578 375493821 /nfs/dbraw/zinc/49/38/21/375493821.db2.gz PYICAPORUYKTBC-DIECFANBSA-N 2 2 260.425 3.232 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000515050988 375809766 /nfs/dbraw/zinc/80/97/66/375809766.db2.gz QKYFBFIJSSSDLZ-CYBMUJFWSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000515050988 375809772 /nfs/dbraw/zinc/80/97/72/375809772.db2.gz QKYFBFIJSSSDLZ-CYBMUJFWSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000336396302 375788845 /nfs/dbraw/zinc/78/88/45/375788845.db2.gz QCPQRGOAZJFMFY-MFKMUULPSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1 ZINC000336396302 375788848 /nfs/dbraw/zinc/78/88/48/375788848.db2.gz QCPQRGOAZJFMFY-MFKMUULPSA-N 2 2 275.783 3.271 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336706620 375911478 /nfs/dbraw/zinc/91/14/78/375911478.db2.gz IWRCCJJAICOHGI-YQQAZPJKSA-N 2 2 260.425 3.284 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000336706620 375911483 /nfs/dbraw/zinc/91/14/83/375911483.db2.gz IWRCCJJAICOHGI-YQQAZPJKSA-N 2 2 260.425 3.284 20 0 CGADLP Cc1cc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655374 375895709 /nfs/dbraw/zinc/89/57/09/375895709.db2.gz JLZBYRHNYQBJCO-NVXWUHKLSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655374 375895718 /nfs/dbraw/zinc/89/57/18/375895718.db2.gz JLZBYRHNYQBJCO-NVXWUHKLSA-N 2 2 296.418 3.108 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534348573 375980674 /nfs/dbraw/zinc/98/06/74/375980674.db2.gz FLJIVWUSDJVXPZ-OCCSQVGLSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534348573 375980678 /nfs/dbraw/zinc/98/06/78/375980678.db2.gz FLJIVWUSDJVXPZ-OCCSQVGLSA-N 2 2 273.355 3.110 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000534309170 375970649 /nfs/dbraw/zinc/97/06/49/375970649.db2.gz ULGGDACVWPYCTJ-WMLDXEAASA-N 2 2 299.393 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000534309170 375970654 /nfs/dbraw/zinc/97/06/54/375970654.db2.gz ULGGDACVWPYCTJ-WMLDXEAASA-N 2 2 299.393 3.426 20 0 CGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C ZINC000193816019 375926680 /nfs/dbraw/zinc/92/66/80/375926680.db2.gz OCJZYIYJVAVYCB-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000536624966 376102351 /nfs/dbraw/zinc/10/23/51/376102351.db2.gz XGWQUQBGZVLBDZ-UNEWFSDZSA-N 2 2 272.436 3.475 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000536624966 376102359 /nfs/dbraw/zinc/10/23/59/376102359.db2.gz XGWQUQBGZVLBDZ-UNEWFSDZSA-N 2 2 272.436 3.475 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000222214363 376231001 /nfs/dbraw/zinc/23/10/01/376231001.db2.gz KCHFDWZNADKFSW-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000222214363 376231007 /nfs/dbraw/zinc/23/10/07/376231007.db2.gz KCHFDWZNADKFSW-KRWDZBQOSA-N 2 2 272.436 3.431 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000222915930 376242807 /nfs/dbraw/zinc/24/28/07/376242807.db2.gz VJSBCUSPLVYWRH-UNEWFSDZSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000222915930 376242817 /nfs/dbraw/zinc/24/28/17/376242817.db2.gz VJSBCUSPLVYWRH-UNEWFSDZSA-N 2 2 258.409 3.353 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@H](C)C2 ZINC000540911836 376403655 /nfs/dbraw/zinc/40/36/55/376403655.db2.gz PLZNLVNFIXPKSH-HDMKZQKVSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@H](C)C2 ZINC000540911836 376403660 /nfs/dbraw/zinc/40/36/60/376403660.db2.gz PLZNLVNFIXPKSH-HDMKZQKVSA-N 2 2 272.436 3.160 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000133505554 542079664 /nfs/dbraw/zinc/07/96/64/542079664.db2.gz AENISKZCZGDTER-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000334281061 206303595 /nfs/dbraw/zinc/30/35/95/206303595.db2.gz RYOFRVCCLSCXGH-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000334281061 206303597 /nfs/dbraw/zinc/30/35/97/206303597.db2.gz RYOFRVCCLSCXGH-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1C(C)C ZINC000339067199 376658313 /nfs/dbraw/zinc/65/83/13/376658313.db2.gz FBOLZQUDDWEWGG-ZIAGYGMSSA-N 2 2 293.480 3.291 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1C(C)C ZINC000339067199 376658318 /nfs/dbraw/zinc/65/83/18/376658318.db2.gz FBOLZQUDDWEWGG-ZIAGYGMSSA-N 2 2 293.480 3.291 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236698506 376683895 /nfs/dbraw/zinc/68/38/95/376683895.db2.gz JXXWEQNMFZBPGM-BEFAXECRSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236698506 376683905 /nfs/dbraw/zinc/68/39/05/376683905.db2.gz JXXWEQNMFZBPGM-BEFAXECRSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236692143 376684110 /nfs/dbraw/zinc/68/41/10/376684110.db2.gz VAJCCQSMXBLDKC-GOSISDBHSA-N 2 2 272.436 3.069 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236692143 376684120 /nfs/dbraw/zinc/68/41/20/376684120.db2.gz VAJCCQSMXBLDKC-GOSISDBHSA-N 2 2 272.436 3.069 20 0 CGADLP c1cc2c(cccc2C[NH2+]CCc2cn3ccccc3[nH+]2)[nH]1 ZINC000236753164 376691396 /nfs/dbraw/zinc/69/13/96/376691396.db2.gz MIOMFHIKMHBPHU-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000135754639 542089039 /nfs/dbraw/zinc/08/90/39/542089039.db2.gz HVCDHFCYDVBNDF-CVEARBPZSA-N 2 2 288.435 3.017 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)C(C)(C)C)[nH+]c12 ZINC000156338339 542128012 /nfs/dbraw/zinc/12/80/12/542128012.db2.gz FYHHJWHRNRFOBM-ZDUSSCGKSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245742989 376897485 /nfs/dbraw/zinc/89/74/85/376897485.db2.gz MELZWPNDJUFVOA-DOTOQJQBSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245742989 376897495 /nfs/dbraw/zinc/89/74/95/376897495.db2.gz MELZWPNDJUFVOA-DOTOQJQBSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000245705676 376888000 /nfs/dbraw/zinc/88/80/00/376888000.db2.gz RZUVNEVESSSUBI-DNVCBOLYSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1n1cc[nH+]c1 ZINC000245705676 376888007 /nfs/dbraw/zinc/88/80/07/376888007.db2.gz RZUVNEVESSSUBI-DNVCBOLYSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257739 376926650 /nfs/dbraw/zinc/92/66/50/376926650.db2.gz OOZPDARBBONNJY-LYRGGWFBSA-N 2 2 278.827 3.331 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000557257739 376926657 /nfs/dbraw/zinc/92/66/57/376926657.db2.gz OOZPDARBBONNJY-LYRGGWFBSA-N 2 2 278.827 3.331 20 0 CGADLP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000557447033 376934887 /nfs/dbraw/zinc/93/48/87/376934887.db2.gz XBMVTBJECAYKMB-ROUUACIJSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000340181357 376937684 /nfs/dbraw/zinc/93/76/84/376937684.db2.gz KEMDSERHZXNNGO-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000340181357 376937688 /nfs/dbraw/zinc/93/76/88/376937688.db2.gz KEMDSERHZXNNGO-APWZRJJASA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC23CCCC3)C[C@@H](C)O1 ZINC000340182426 376938041 /nfs/dbraw/zinc/93/80/41/376938041.db2.gz MMBUUPCQFCPMIX-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000340178379 376938290 /nfs/dbraw/zinc/93/82/90/376938290.db2.gz HZQODMDQIPQVPW-CYBMUJFWSA-N 2 2 289.423 3.138 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369150 377022989 /nfs/dbraw/zinc/02/29/89/377022989.db2.gz NREDUESFLCLCOG-OAHLLOKOSA-N 2 2 294.389 3.414 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369150 377022991 /nfs/dbraw/zinc/02/29/91/377022991.db2.gz NREDUESFLCLCOG-OAHLLOKOSA-N 2 2 294.389 3.414 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369150 377022996 /nfs/dbraw/zinc/02/29/96/377022996.db2.gz NREDUESFLCLCOG-OAHLLOKOSA-N 2 2 294.389 3.414 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000340369150 377022998 /nfs/dbraw/zinc/02/29/98/377022998.db2.gz NREDUESFLCLCOG-OAHLLOKOSA-N 2 2 294.389 3.414 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558680850 377031207 /nfs/dbraw/zinc/03/12/07/377031207.db2.gz PXOFAPWUZCSSAI-XXQMMXQMSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558680850 377031214 /nfs/dbraw/zinc/03/12/14/377031214.db2.gz PXOFAPWUZCSSAI-XXQMMXQMSA-N 2 2 284.447 3.285 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000558252127 376987735 /nfs/dbraw/zinc/98/77/35/376987735.db2.gz FDSOBCBFZRVUHA-HXUWFJFHSA-N 2 2 296.458 3.382 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000559958682 377109552 /nfs/dbraw/zinc/10/95/52/377109552.db2.gz ZQFXPXULAOMVKN-YJBOKZPZSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000559958682 377109561 /nfs/dbraw/zinc/10/95/61/377109561.db2.gz ZQFXPXULAOMVKN-YJBOKZPZSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000340429032 377054085 /nfs/dbraw/zinc/05/40/85/377054085.db2.gz ZOSXZAZTOXCUMS-AWEZNQCLSA-N 2 2 281.359 3.321 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246747693 377081071 /nfs/dbraw/zinc/08/10/71/377081071.db2.gz FRWRUPARPZZYJI-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246747693 377081076 /nfs/dbraw/zinc/08/10/76/377081076.db2.gz FRWRUPARPZZYJI-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246747693 377081084 /nfs/dbraw/zinc/08/10/84/377081084.db2.gz FRWRUPARPZZYJI-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246747693 377081089 /nfs/dbraw/zinc/08/10/89/377081089.db2.gz FRWRUPARPZZYJI-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1F ZINC000340477844 377090299 /nfs/dbraw/zinc/09/02/99/377090299.db2.gz YGEXVSYODQQYKQ-KFWWJZLASA-N 2 2 293.430 3.239 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247267523 377188558 /nfs/dbraw/zinc/18/85/58/377188558.db2.gz XYBDTKPNESABAC-CJNGLKHVSA-N 2 2 273.380 3.122 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247267523 377188562 /nfs/dbraw/zinc/18/85/62/377188562.db2.gz XYBDTKPNESABAC-CJNGLKHVSA-N 2 2 273.380 3.122 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC000562022493 377266876 /nfs/dbraw/zinc/26/68/76/377266876.db2.gz OZIXCAQNBKKCEL-KURKYZTESA-N 2 2 272.436 3.376 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247958366 377247371 /nfs/dbraw/zinc/24/73/71/377247371.db2.gz FXNSRCKHSSOOGK-RBOXIYTFSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247958366 377247381 /nfs/dbraw/zinc/24/73/81/377247381.db2.gz FXNSRCKHSSOOGK-RBOXIYTFSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248200262 377279401 /nfs/dbraw/zinc/27/94/01/377279401.db2.gz YLXYZVYCGUKVEN-JSGCOSHPSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248200262 377279413 /nfs/dbraw/zinc/27/94/13/377279413.db2.gz YLXYZVYCGUKVEN-JSGCOSHPSA-N 2 2 272.392 3.314 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248622440 377369840 /nfs/dbraw/zinc/36/98/40/377369840.db2.gz AYVGFOFFYCFUJI-YQFWSFKMSA-N 2 2 260.425 3.456 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248631683 377371747 /nfs/dbraw/zinc/37/17/47/377371747.db2.gz ICLBIYPFJDVOEN-HOTGVXAUSA-N 2 2 260.425 3.110 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248631683 377371755 /nfs/dbraw/zinc/37/17/55/377371755.db2.gz ICLBIYPFJDVOEN-HOTGVXAUSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]CCCCn1cc[nH+]c1 ZINC000310843951 321957884 /nfs/dbraw/zinc/95/78/84/321957884.db2.gz JZHJGVWVTKTBDP-AWEZNQCLSA-N 2 2 251.418 3.468 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000249114908 377465375 /nfs/dbraw/zinc/46/53/75/377465375.db2.gz NQTHLENDQXBKAY-KSZLIROESA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000249114908 377465381 /nfs/dbraw/zinc/46/53/81/377465381.db2.gz NQTHLENDQXBKAY-KSZLIROESA-N 2 2 284.447 3.224 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000249187983 377476238 /nfs/dbraw/zinc/47/62/38/377476238.db2.gz LVFGRYXUJXQFQY-PVUWLOKVSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000249187983 377476247 /nfs/dbraw/zinc/47/62/47/377476247.db2.gz LVFGRYXUJXQFQY-PVUWLOKVSA-N 2 2 276.399 3.492 20 0 CGADLP CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535540 249031070 /nfs/dbraw/zinc/03/10/70/249031070.db2.gz YJSJMZMSOTZKJQ-HNNXBMFYSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000166710854 542175667 /nfs/dbraw/zinc/17/56/67/542175667.db2.gz LLZMCLOUKDWFEF-RBSFLKMASA-N 2 2 291.464 3.119 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)s1 ZINC000166710854 542175670 /nfs/dbraw/zinc/17/56/70/542175670.db2.gz LLZMCLOUKDWFEF-RBSFLKMASA-N 2 2 291.464 3.119 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000313261400 249089839 /nfs/dbraw/zinc/08/98/39/249089839.db2.gz AIABXATUKDYYHQ-ZWKOTPCHSA-N 2 2 283.419 3.279 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000313261396 249090160 /nfs/dbraw/zinc/09/01/60/249090160.db2.gz AIABXATUKDYYHQ-QZTJIDSGSA-N 2 2 283.419 3.279 20 0 CGADLP CCCCOc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000470025488 249167369 /nfs/dbraw/zinc/16/73/69/249167369.db2.gz XGGIPQBKSUJWHC-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000470025488 249167370 /nfs/dbraw/zinc/16/73/70/249167370.db2.gz XGGIPQBKSUJWHC-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341478132 377583144 /nfs/dbraw/zinc/58/31/44/377583144.db2.gz GXCFCVWJOLVRRS-QWHCGFSZSA-N 2 2 275.421 3.460 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000251903970 377605648 /nfs/dbraw/zinc/60/56/48/377605648.db2.gz WQUKMFBDTAJSPC-BXKDBHETSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000251903970 377605656 /nfs/dbraw/zinc/60/56/56/377605656.db2.gz WQUKMFBDTAJSPC-BXKDBHETSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252674362 377650419 /nfs/dbraw/zinc/65/04/19/377650419.db2.gz QNQCIIKGRFNPDT-NYTXWWLZSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252674362 377650422 /nfs/dbraw/zinc/65/04/22/377650422.db2.gz QNQCIIKGRFNPDT-NYTXWWLZSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000252894182 377668430 /nfs/dbraw/zinc/66/84/30/377668430.db2.gz UEKIDJPDTQKMFC-GXFFZTMASA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000252894182 377668442 /nfs/dbraw/zinc/66/84/42/377668442.db2.gz UEKIDJPDTQKMFC-GXFFZTMASA-N 2 2 287.234 3.423 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000574639140 377690255 /nfs/dbraw/zinc/69/02/55/377690255.db2.gz WTGFOBUGZIMTIS-GOSISDBHSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000574639140 377690262 /nfs/dbraw/zinc/69/02/62/377690262.db2.gz WTGFOBUGZIMTIS-GOSISDBHSA-N 2 2 281.403 3.207 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000253577908 377700003 /nfs/dbraw/zinc/70/00/03/377700003.db2.gz XQNACNYHQJBLJA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000253577908 377700012 /nfs/dbraw/zinc/70/00/12/377700012.db2.gz XQNACNYHQJBLJA-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000253189171 377679932 /nfs/dbraw/zinc/67/99/32/377679932.db2.gz KEDHPFTYMPWDKN-KBXIAJHMSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000253189171 377679941 /nfs/dbraw/zinc/67/99/41/377679941.db2.gz KEDHPFTYMPWDKN-KBXIAJHMSA-N 2 2 250.430 3.170 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355309 377685359 /nfs/dbraw/zinc/68/53/59/377685359.db2.gz UVSNNFRNLQBBSY-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355309 377685365 /nfs/dbraw/zinc/68/53/65/377685365.db2.gz UVSNNFRNLQBBSY-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355309 377685370 /nfs/dbraw/zinc/68/53/70/377685370.db2.gz UVSNNFRNLQBBSY-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355309 377685373 /nfs/dbraw/zinc/68/53/73/377685373.db2.gz UVSNNFRNLQBBSY-BXUZGUMPSA-N 2 2 284.856 3.318 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000574957659 377729002 /nfs/dbraw/zinc/72/90/02/377729002.db2.gz YWMBXUBDERAWDS-CYBMUJFWSA-N 2 2 295.377 3.393 20 0 CGADLP CCC1CC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000342684102 377733352 /nfs/dbraw/zinc/73/33/52/377733352.db2.gz BEDDNJCUUPGJBV-HPUBIQBYSA-N 2 2 260.425 3.285 20 0 CGADLP CCC1CC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000342684102 377733357 /nfs/dbraw/zinc/73/33/57/377733357.db2.gz BEDDNJCUUPGJBV-HPUBIQBYSA-N 2 2 260.425 3.285 20 0 CGADLP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000575136578 377754333 /nfs/dbraw/zinc/75/43/33/377754333.db2.gz CTCUNLLXKQOXMQ-CABCVRRESA-N 2 2 288.439 3.105 20 0 CGADLP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000575136578 377754338 /nfs/dbraw/zinc/75/43/38/377754338.db2.gz CTCUNLLXKQOXMQ-CABCVRRESA-N 2 2 288.439 3.105 20 0 CGADLP CCC1CC([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000342725678 377758569 /nfs/dbraw/zinc/75/85/69/377758569.db2.gz GURFGULDTUNXPV-UQPPLGOBSA-N 2 2 260.425 3.285 20 0 CGADLP CCC1CC([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000342725678 377758576 /nfs/dbraw/zinc/75/85/76/377758576.db2.gz GURFGULDTUNXPV-UQPPLGOBSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000259945321 377807039 /nfs/dbraw/zinc/80/70/39/377807039.db2.gz GIFFBZRCUZWULC-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000259945321 377807049 /nfs/dbraw/zinc/80/70/49/377807049.db2.gz GIFFBZRCUZWULC-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP CC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342944182 377867864 /nfs/dbraw/zinc/86/78/64/377867864.db2.gz RXDPMSHDPPNKFA-CQSZACIVSA-N 2 2 257.381 3.346 20 0 CGADLP CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342944182 377867869 /nfs/dbraw/zinc/86/78/69/377867869.db2.gz RXDPMSHDPPNKFA-CQSZACIVSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)C[C@H]1[NH3+] ZINC000262141168 377888450 /nfs/dbraw/zinc/88/84/50/377888450.db2.gz ZDFNMGFWOODYNJ-MAUKXSAKSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)C[C@H]1[NH3+] ZINC000262141168 377888455 /nfs/dbraw/zinc/88/84/55/377888455.db2.gz ZDFNMGFWOODYNJ-MAUKXSAKSA-N 2 2 296.414 3.045 20 0 CGADLP CCC[N@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000261750304 377849037 /nfs/dbraw/zinc/84/90/37/377849037.db2.gz TUCGJDPXDIKKCU-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP CCC[N@@H+](Cc1coc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000261750304 377849044 /nfs/dbraw/zinc/84/90/44/377849044.db2.gz TUCGJDPXDIKKCU-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP C[N@@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000265233787 378000696 /nfs/dbraw/zinc/00/06/96/378000696.db2.gz HSXGQRCOWVPCLE-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP C[N@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000265233787 378000703 /nfs/dbraw/zinc/00/07/03/378000703.db2.gz HSXGQRCOWVPCLE-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000343595361 378033389 /nfs/dbraw/zinc/03/33/89/378033389.db2.gz ASANWAFETPFPGY-UHFFFAOYSA-N 2 2 295.496 3.358 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000343595361 378033396 /nfs/dbraw/zinc/03/33/96/378033396.db2.gz ASANWAFETPFPGY-UHFFFAOYSA-N 2 2 295.496 3.358 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cccc2F)[nH]1 ZINC000343608024 378038148 /nfs/dbraw/zinc/03/81/48/378038148.db2.gz SOQHREUJYOSPJO-UHFFFAOYSA-N 2 2 289.398 3.225 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cccc2F)[nH]1 ZINC000343608024 378038154 /nfs/dbraw/zinc/03/81/54/378038154.db2.gz SOQHREUJYOSPJO-UHFFFAOYSA-N 2 2 289.398 3.225 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268791127 378112808 /nfs/dbraw/zinc/11/28/08/378112808.db2.gz DGNNUFWOCSNRGE-FZMZJTMJSA-N 2 2 291.395 3.237 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000268816758 378121114 /nfs/dbraw/zinc/12/11/14/378121114.db2.gz MKPIYCXTOREQKX-NHYWBVRUSA-N 2 2 279.334 3.291 20 0 CGADLP CC(C)C[C@]1(C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000578664047 378090408 /nfs/dbraw/zinc/09/04/08/378090408.db2.gz AZGKLIUXCXLTDM-INIZCTEOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@]1(C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000578664047 378090412 /nfs/dbraw/zinc/09/04/12/378090412.db2.gz AZGKLIUXCXLTDM-INIZCTEOSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)n1C ZINC000578787640 378101625 /nfs/dbraw/zinc/10/16/25/378101625.db2.gz VWFGCUFMKPDQHS-SNVBAGLBSA-N 2 2 287.338 3.465 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1C(C)(C)C ZINC000345301579 378248925 /nfs/dbraw/zinc/24/89/25/378248925.db2.gz ZZXDKOMWBIOWSG-VNHYZAJKSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1C(C)(C)C ZINC000345301579 378248927 /nfs/dbraw/zinc/24/89/27/378248927.db2.gz ZZXDKOMWBIOWSG-VNHYZAJKSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2c(C)cccc2C)n1C ZINC000583642160 378337090 /nfs/dbraw/zinc/33/70/90/378337090.db2.gz QMCYRVIVZJUXCA-CYBMUJFWSA-N 2 2 257.381 3.196 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583735101 378342541 /nfs/dbraw/zinc/34/25/41/378342541.db2.gz SMTPVZSGFUFLCZ-IMRCBTMISA-N 2 2 294.389 3.285 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583735101 378342545 /nfs/dbraw/zinc/34/25/45/378342545.db2.gz SMTPVZSGFUFLCZ-IMRCBTMISA-N 2 2 294.389 3.285 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000270788301 378399923 /nfs/dbraw/zinc/39/99/23/378399923.db2.gz BTYXLUKHCZTFCV-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000270788301 378399929 /nfs/dbraw/zinc/39/99/29/378399929.db2.gz BTYXLUKHCZTFCV-ZDUSSCGKSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000270881701 378408708 /nfs/dbraw/zinc/40/87/08/378408708.db2.gz NRDUGZZLVSLJJU-YOEHRIQHSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000270881701 378408712 /nfs/dbraw/zinc/40/87/12/378408712.db2.gz NRDUGZZLVSLJJU-YOEHRIQHSA-N 2 2 269.392 3.070 20 0 CGADLP CC(C)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000270692586 378389069 /nfs/dbraw/zinc/38/90/69/378389069.db2.gz YBCGGXITPCKTON-UHFFFAOYSA-N 2 2 260.425 3.239 20 0 CGADLP CC(C)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000270692586 378389076 /nfs/dbraw/zinc/38/90/76/378389076.db2.gz YBCGGXITPCKTON-UHFFFAOYSA-N 2 2 260.425 3.239 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346032800 378444146 /nfs/dbraw/zinc/44/41/46/378444146.db2.gz CHWZTDQYNIPOCP-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346032800 378444151 /nfs/dbraw/zinc/44/41/51/378444151.db2.gz CHWZTDQYNIPOCP-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346093076 378461561 /nfs/dbraw/zinc/46/15/61/378461561.db2.gz ZNJZFAYGEOZOSA-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346093076 378461566 /nfs/dbraw/zinc/46/15/66/378461566.db2.gz ZNJZFAYGEOZOSA-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP CC(C)[C@H](C)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346118105 378468519 /nfs/dbraw/zinc/46/85/19/378468519.db2.gz DACPBBUOCZRBEU-ZDUSSCGKSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@H](C)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346118105 378468525 /nfs/dbraw/zinc/46/85/25/378468525.db2.gz DACPBBUOCZRBEU-ZDUSSCGKSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@H](C)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346118105 378468528 /nfs/dbraw/zinc/46/85/28/378468528.db2.gz DACPBBUOCZRBEU-ZDUSSCGKSA-N 2 2 295.496 3.386 20 0 CGADLP CC(C)[C@H](C)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346118105 378468532 /nfs/dbraw/zinc/46/85/32/378468532.db2.gz DACPBBUOCZRBEU-ZDUSSCGKSA-N 2 2 295.496 3.386 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000271207588 378483275 /nfs/dbraw/zinc/48/32/75/378483275.db2.gz WSBCSFYIOLOOHV-LBPRGKRZSA-N 2 2 292.810 3.470 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000271207588 378483280 /nfs/dbraw/zinc/48/32/80/378483280.db2.gz WSBCSFYIOLOOHV-LBPRGKRZSA-N 2 2 292.810 3.470 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000271446646 378493012 /nfs/dbraw/zinc/49/30/12/378493012.db2.gz HKJVSZDNZSYGFV-GFCCVEGCSA-N 2 2 281.831 3.258 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346199751 378502396 /nfs/dbraw/zinc/50/23/96/378502396.db2.gz GSRYZXKDDSURPE-ZDUSSCGKSA-N 2 2 293.461 3.261 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346199751 378502400 /nfs/dbraw/zinc/50/24/00/378502400.db2.gz GSRYZXKDDSURPE-ZDUSSCGKSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346201373 378502614 /nfs/dbraw/zinc/50/26/14/378502614.db2.gz NETZVEWJEAWQBV-NEPJUHHUSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000346201373 378502619 /nfs/dbraw/zinc/50/26/19/378502619.db2.gz NETZVEWJEAWQBV-NEPJUHHUSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@@H+]1C ZINC000346319221 378541545 /nfs/dbraw/zinc/54/15/45/378541545.db2.gz FCBFVXSUUWSFGO-XNPDXQRHSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@H+]1C ZINC000346319221 378541549 /nfs/dbraw/zinc/54/15/49/378541549.db2.gz FCBFVXSUUWSFGO-XNPDXQRHSA-N 2 2 276.399 3.144 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000637984022 378657328 /nfs/dbraw/zinc/65/73/28/378657328.db2.gz XHSZUNNUMYYQGS-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1scc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000637983969 378657729 /nfs/dbraw/zinc/65/77/29/378657729.db2.gz WCRLWKFHJIJKFW-UHFFFAOYSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)s2)cc1 ZINC000346674721 378670778 /nfs/dbraw/zinc/67/07/78/378670778.db2.gz XNLXSEAZDUFAAL-AWEZNQCLSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)s2)cc1 ZINC000346674721 378670788 /nfs/dbraw/zinc/67/07/88/378670788.db2.gz XNLXSEAZDUFAAL-AWEZNQCLSA-N 2 2 272.417 3.257 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000346689194 378677357 /nfs/dbraw/zinc/67/73/57/378677357.db2.gz ZHJDRFXZCKOKKM-CYBMUJFWSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000346689194 378677361 /nfs/dbraw/zinc/67/73/61/378677361.db2.gz ZHJDRFXZCKOKKM-CYBMUJFWSA-N 2 2 283.485 3.246 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000638077452 378688288 /nfs/dbraw/zinc/68/82/88/378688288.db2.gz STZOQUODEWASNE-GFCCVEGCSA-N 2 2 292.810 3.470 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Cl)C1 ZINC000638077452 378688290 /nfs/dbraw/zinc/68/82/90/378688290.db2.gz STZOQUODEWASNE-GFCCVEGCSA-N 2 2 292.810 3.470 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)s1 ZINC000347943861 378735971 /nfs/dbraw/zinc/73/59/71/378735971.db2.gz BNRMKLGXMFZAIP-CABCVRRESA-N 2 2 293.480 3.367 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)s1 ZINC000347943861 378735981 /nfs/dbraw/zinc/73/59/81/378735981.db2.gz BNRMKLGXMFZAIP-CABCVRRESA-N 2 2 293.480 3.367 20 0 CGADLP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000638284721 378754460 /nfs/dbraw/zinc/75/44/60/378754460.db2.gz CRDFCETZAFVCFS-HOTGVXAUSA-N 2 2 261.413 3.388 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638287689 378755568 /nfs/dbraw/zinc/75/55/68/378755568.db2.gz VYDPVVLVPLLJBZ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348047670 378765999 /nfs/dbraw/zinc/76/59/99/378765999.db2.gz UZPGADPKDWIWAP-OAHLLOKOSA-N 2 2 284.488 3.148 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348047669 378766323 /nfs/dbraw/zinc/76/63/23/378766323.db2.gz UZPGADPKDWIWAP-HNNXBMFYSA-N 2 2 284.488 3.148 20 0 CGADLP Cc1nc(C[NH2+]CCCc2c[nH+]ccc2C)sc1C ZINC000348070550 378777094 /nfs/dbraw/zinc/77/70/94/378777094.db2.gz HDUBZADDYSYKAR-UHFFFAOYSA-N 2 2 275.421 3.186 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638358900 378777898 /nfs/dbraw/zinc/77/78/98/378777898.db2.gz MEZKGAJFFFWICJ-CYBMUJFWSA-N 2 2 259.397 3.284 20 0 CGADLP CC(C)c1[nH+]ccn1CC[N@H+](C)Cc1ccccc1 ZINC000278491563 194009700 /nfs/dbraw/zinc/00/97/00/194009700.db2.gz BFHHKSDIGIGRJT-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP CC(C)c1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1 ZINC000278491563 194009701 /nfs/dbraw/zinc/00/97/01/194009701.db2.gz BFHHKSDIGIGRJT-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000346824152 218024036 /nfs/dbraw/zinc/02/40/36/218024036.db2.gz LDXAZFRDYKDRJQ-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000346824152 218024038 /nfs/dbraw/zinc/02/40/38/218024038.db2.gz LDXAZFRDYKDRJQ-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC1(F)F ZINC000638637006 378858904 /nfs/dbraw/zinc/85/89/04/378858904.db2.gz KYDVPASOMFBGAM-NUEKZKHPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC1(F)F ZINC000638637006 378858909 /nfs/dbraw/zinc/85/89/09/378858909.db2.gz KYDVPASOMFBGAM-NUEKZKHPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccon1 ZINC000348261128 378869957 /nfs/dbraw/zinc/86/99/57/378869957.db2.gz KMJXOKKEQFWUBR-ZOBUZTSGSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccon1 ZINC000348261128 378869960 /nfs/dbraw/zinc/86/99/60/378869960.db2.gz KMJXOKKEQFWUBR-ZOBUZTSGSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000346951196 218067252 /nfs/dbraw/zinc/06/72/52/218067252.db2.gz XGLXZMCIWPCNFB-WBVHZDCISA-N 2 2 284.447 3.367 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000346951196 218067253 /nfs/dbraw/zinc/06/72/53/218067253.db2.gz XGLXZMCIWPCNFB-WBVHZDCISA-N 2 2 284.447 3.367 20 0 CGADLP c1cncc(-c2cccc(C[N@H+](C3CC3)[C@H]3CC[NH2+]C3)c2)c1 ZINC000347003979 218088260 /nfs/dbraw/zinc/08/82/60/218088260.db2.gz AMMLWYLUZNVGKA-IBGZPJMESA-N 2 2 293.414 3.075 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)c2)c1 ZINC000347003979 218088262 /nfs/dbraw/zinc/08/82/62/218088262.db2.gz AMMLWYLUZNVGKA-IBGZPJMESA-N 2 2 293.414 3.075 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000347004686 218088883 /nfs/dbraw/zinc/08/88/83/218088883.db2.gz ANXZMZFWEFJLNR-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000347004686 218088885 /nfs/dbraw/zinc/08/88/85/218088885.db2.gz ANXZMZFWEFJLNR-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000346980195 218077579 /nfs/dbraw/zinc/07/75/79/218077579.db2.gz KANMPAIRUINDOM-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000347105906 218122760 /nfs/dbraw/zinc/12/27/60/218122760.db2.gz NRJQFDVNRMWFJD-CQSZACIVSA-N 2 2 286.419 3.406 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000347105906 218122762 /nfs/dbraw/zinc/12/27/62/218122762.db2.gz NRJQFDVNRMWFJD-CQSZACIVSA-N 2 2 286.419 3.406 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123464 218129360 /nfs/dbraw/zinc/12/93/60/218129360.db2.gz NXTRWYRPPOUCAS-VYDXJSESSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123464 218129363 /nfs/dbraw/zinc/12/93/63/218129363.db2.gz NXTRWYRPPOUCAS-VYDXJSESSA-N 2 2 274.408 3.361 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)o1 ZINC000278636407 194078111 /nfs/dbraw/zinc/07/81/11/194078111.db2.gz HFVYAFKLAOXOEF-CYBMUJFWSA-N 2 2 258.365 3.493 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135061 379166402 /nfs/dbraw/zinc/16/64/02/379166402.db2.gz YAYMZUISGRRTMV-DOTOQJQBSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135061 379166408 /nfs/dbraw/zinc/16/64/08/379166408.db2.gz YAYMZUISGRRTMV-DOTOQJQBSA-N 2 2 283.419 3.088 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000373214340 379243033 /nfs/dbraw/zinc/24/30/33/379243033.db2.gz DAEFQQRHDTYUJU-SFHVURJKSA-N 2 2 283.419 3.228 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000373214340 379243041 /nfs/dbraw/zinc/24/30/41/379243041.db2.gz DAEFQQRHDTYUJU-SFHVURJKSA-N 2 2 283.419 3.228 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000373488752 379288285 /nfs/dbraw/zinc/28/82/85/379288285.db2.gz HYIDNSFVAMDSBZ-JKSUJKDBSA-N 2 2 287.451 3.072 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346559648 284773153 /nfs/dbraw/zinc/77/31/53/284773153.db2.gz MIPHLJIBULKRIH-AWEZNQCLSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000373427014 379277893 /nfs/dbraw/zinc/27/78/93/379277893.db2.gz PJSNNJNLRODWDL-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000373427014 379277900 /nfs/dbraw/zinc/27/79/00/379277900.db2.gz PJSNNJNLRODWDL-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CCCc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349419406 379278021 /nfs/dbraw/zinc/27/80/21/379278021.db2.gz PNDGZMKXWXYQMI-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP CCCc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000349419406 379278030 /nfs/dbraw/zinc/27/80/30/379278030.db2.gz PNDGZMKXWXYQMI-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000639377767 379337943 /nfs/dbraw/zinc/33/79/43/379337943.db2.gz IOGZDAACHKTICG-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000373533056 379294558 /nfs/dbraw/zinc/29/45/58/379294558.db2.gz VYMQGQJZAQPRMX-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000373533056 379294567 /nfs/dbraw/zinc/29/45/67/379294567.db2.gz VYMQGQJZAQPRMX-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374214683 379394590 /nfs/dbraw/zinc/39/45/90/379394590.db2.gz ZEZCDMIEOPHTFV-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP C[N@H+](Cc1cc2cc(F)ccc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395524 379361280 /nfs/dbraw/zinc/36/12/80/379361280.db2.gz BHTVWDVPHDKXOM-INIZCTEOSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@@H+](Cc1cc2cc(F)ccc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395524 379361288 /nfs/dbraw/zinc/36/12/88/379361288.db2.gz BHTVWDVPHDKXOM-INIZCTEOSA-N 2 2 288.366 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccon1 ZINC000349836705 379414418 /nfs/dbraw/zinc/41/44/18/379414418.db2.gz UCBSXHLLOQCIKX-QWHCGFSZSA-N 2 2 282.347 3.272 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(C)[nH+]1 ZINC000639596084 379499774 /nfs/dbraw/zinc/49/97/74/379499774.db2.gz RQXXOBWGKREMNN-KRWDZBQOSA-N 2 2 288.435 3.398 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000349980108 379471680 /nfs/dbraw/zinc/47/16/80/379471680.db2.gz YIUJKRJPWBOSFJ-HOCLYGCPSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000349980108 379471688 /nfs/dbraw/zinc/47/16/88/379471688.db2.gz YIUJKRJPWBOSFJ-HOCLYGCPSA-N 2 2 291.439 3.042 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c(C)[nH+]1 ZINC000639698605 379554262 /nfs/dbraw/zinc/55/42/62/379554262.db2.gz NFOXWSQOXPKLNV-AWEZNQCLSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c(C)[nH+]1 ZINC000639698605 379554266 /nfs/dbraw/zinc/55/42/66/379554266.db2.gz NFOXWSQOXPKLNV-AWEZNQCLSA-N 2 2 274.408 3.150 20 0 CGADLP CC[C@@](C)([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000639928442 379650281 /nfs/dbraw/zinc/65/02/81/379650281.db2.gz LRTJZXATBVOTHE-MRXNPFEDSA-N 2 2 275.371 3.327 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CCC(CC)([NH+](C)C)CC2)o1 ZINC000640016377 379687517 /nfs/dbraw/zinc/68/75/17/379687517.db2.gz ZYAWVMYLUFOUSJ-UHFFFAOYSA-N 2 2 293.455 3.242 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000377266438 379657020 /nfs/dbraw/zinc/65/70/20/379657020.db2.gz KDGDMHWLWBXRKK-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000377266438 379657028 /nfs/dbraw/zinc/65/70/28/379657028.db2.gz KDGDMHWLWBXRKK-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cc3ccccc3s1)C2 ZINC000377395770 379671027 /nfs/dbraw/zinc/67/10/27/379671027.db2.gz AHELSAXHVUVRFO-LBPRGKRZSA-N 2 2 283.400 3.272 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000377395770 379671034 /nfs/dbraw/zinc/67/10/34/379671034.db2.gz AHELSAXHVUVRFO-LBPRGKRZSA-N 2 2 283.400 3.272 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377780168 379739122 /nfs/dbraw/zinc/73/91/22/379739122.db2.gz NIAXEOZPEQOIGI-LLVKDONJSA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377780168 379739128 /nfs/dbraw/zinc/73/91/28/379739128.db2.gz NIAXEOZPEQOIGI-LLVKDONJSA-N 2 2 295.308 3.076 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377786544 379740770 /nfs/dbraw/zinc/74/07/70/379740770.db2.gz VFKWLWKDZFGQBA-HOTGVXAUSA-N 2 2 283.419 3.296 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377786544 379740775 /nfs/dbraw/zinc/74/07/75/379740775.db2.gz VFKWLWKDZFGQBA-HOTGVXAUSA-N 2 2 283.419 3.296 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C(C)C)cc1 ZINC000377803581 379743499 /nfs/dbraw/zinc/74/34/99/379743499.db2.gz YBLHGBKJAGFUPL-KBXCAEBGSA-N 2 2 299.418 3.263 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C(C)C)cc1 ZINC000377803581 379743503 /nfs/dbraw/zinc/74/35/03/379743503.db2.gz YBLHGBKJAGFUPL-KBXCAEBGSA-N 2 2 299.418 3.263 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[N@H+](C)C1CC1 ZINC000377615096 379706881 /nfs/dbraw/zinc/70/68/81/379706881.db2.gz LBIIIJXWYGVFFR-XOMBGVMMSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000377615096 379706891 /nfs/dbraw/zinc/70/68/91/379706891.db2.gz LBIIIJXWYGVFFR-XOMBGVMMSA-N 2 2 294.389 3.283 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000352338342 379769924 /nfs/dbraw/zinc/76/99/24/379769924.db2.gz QWGJVKCUXKIQEH-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267403719 190327638 /nfs/dbraw/zinc/32/76/38/190327638.db2.gz GMPVUIFMWRAISE-GFCCVEGCSA-N 2 2 290.436 3.198 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267403719 190327639 /nfs/dbraw/zinc/32/76/39/190327639.db2.gz GMPVUIFMWRAISE-GFCCVEGCSA-N 2 2 290.436 3.198 20 0 CGADLP CC(C)C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347783718 218356688 /nfs/dbraw/zinc/35/66/88/218356688.db2.gz NTHHAUIRQZCGNS-ZDUSSCGKSA-N 2 2 281.469 3.073 20 0 CGADLP CC(C)C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347783718 218356691 /nfs/dbraw/zinc/35/66/91/218356691.db2.gz NTHHAUIRQZCGNS-ZDUSSCGKSA-N 2 2 281.469 3.073 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000381488541 379867376 /nfs/dbraw/zinc/86/73/76/379867376.db2.gz PMFVWWLMHXXAQB-TZMCWYRMSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000381488541 379867381 /nfs/dbraw/zinc/86/73/81/379867381.db2.gz PMFVWWLMHXXAQB-TZMCWYRMSA-N 2 2 252.427 3.191 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000399046955 379935321 /nfs/dbraw/zinc/93/53/21/379935321.db2.gz VAHYMSXYTPWOMK-IJLUTSLNSA-N 2 2 284.350 3.079 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400342488 379949789 /nfs/dbraw/zinc/94/97/89/379949789.db2.gz HCTDMYQPVQXUCQ-GRDNDAEWSA-N 2 2 276.424 3.265 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000352822042 379983777 /nfs/dbraw/zinc/98/37/77/379983777.db2.gz IYDUFTRDBHUSMC-QCEMKRCNSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000352822042 379983781 /nfs/dbraw/zinc/98/37/81/379983781.db2.gz IYDUFTRDBHUSMC-QCEMKRCNSA-N 2 2 250.430 3.051 20 0 CGADLP CC[NH+](CC)Cc1cccc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641299165 379986149 /nfs/dbraw/zinc/98/61/49/379986149.db2.gz JSMXFWCAYBFHHG-UHFFFAOYSA-N 2 2 299.418 3.028 20 0 CGADLP CSc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000641715633 380057152 /nfs/dbraw/zinc/05/71/52/380057152.db2.gz PMUWSUIZMWQQMS-UHFFFAOYSA-N 2 2 291.420 3.378 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000347903568 218394369 /nfs/dbraw/zinc/39/43/69/218394369.db2.gz ANGZMPYJFQBHJN-STQMWFEESA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)C1 ZINC000347903568 218394371 /nfs/dbraw/zinc/39/43/71/218394371.db2.gz ANGZMPYJFQBHJN-STQMWFEESA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000641799340 380111623 /nfs/dbraw/zinc/11/16/23/380111623.db2.gz VCPQCGVFAGFJFR-INIZCTEOSA-N 2 2 287.432 3.027 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000353093021 380111975 /nfs/dbraw/zinc/11/19/75/380111975.db2.gz ROUCABZBQXUSIS-XJKSGUPXSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000353093021 380111987 /nfs/dbraw/zinc/11/19/87/380111987.db2.gz ROUCABZBQXUSIS-XJKSGUPXSA-N 2 2 290.476 3.264 20 0 CGADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000353124980 380127471 /nfs/dbraw/zinc/12/74/71/380127471.db2.gz ZWDCYLCCSNWQPU-UHFFFAOYSA-N 2 2 298.390 3.272 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000642343424 380167083 /nfs/dbraw/zinc/16/70/83/380167083.db2.gz QWFZTXOYOGPNQB-AWEZNQCLSA-N 2 2 257.381 3.014 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000268201888 190385791 /nfs/dbraw/zinc/38/57/91/190385791.db2.gz GOZKVCGDEIWQCF-CQSZACIVSA-N 2 2 284.407 3.020 20 0 CGADLP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000268201888 190385792 /nfs/dbraw/zinc/38/57/92/190385792.db2.gz GOZKVCGDEIWQCF-CQSZACIVSA-N 2 2 284.407 3.020 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c[nH+]1 ZINC000414481602 380259726 /nfs/dbraw/zinc/25/97/26/380259726.db2.gz FGEJJXSPKNLQNR-OALUTQOASA-N 2 2 296.414 3.131 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c[nH+]1 ZINC000414481602 380259728 /nfs/dbraw/zinc/25/97/28/380259728.db2.gz FGEJJXSPKNLQNR-OALUTQOASA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(O)CCC(C)C ZINC000348043753 218436513 /nfs/dbraw/zinc/43/65/13/218436513.db2.gz PESGXZJKCIFPDT-QGZVFWFLSA-N 2 2 278.440 3.099 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065397 380210729 /nfs/dbraw/zinc/21/07/29/380210729.db2.gz AUZZVKXZKSBZON-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065397 380210735 /nfs/dbraw/zinc/21/07/35/380210735.db2.gz AUZZVKXZKSBZON-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353627108 380215024 /nfs/dbraw/zinc/21/50/24/380215024.db2.gz KALBOXKBSOJIAV-DVOMOZLQSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353627108 380215032 /nfs/dbraw/zinc/21/50/32/380215032.db2.gz KALBOXKBSOJIAV-DVOMOZLQSA-N 2 2 281.403 3.495 20 0 CGADLP Cc1occc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000414445884 380240042 /nfs/dbraw/zinc/24/00/42/380240042.db2.gz XJNPPYXIFHOGKJ-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1occc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000414445884 380240050 /nfs/dbraw/zinc/24/00/50/380240050.db2.gz XJNPPYXIFHOGKJ-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1occc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000414445884 380240058 /nfs/dbraw/zinc/24/00/58/380240058.db2.gz XJNPPYXIFHOGKJ-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP Cc1occc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000414445884 380240066 /nfs/dbraw/zinc/24/00/66/380240066.db2.gz XJNPPYXIFHOGKJ-UHFFFAOYSA-N 2 2 276.380 3.135 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc2ccccc21 ZINC000643505519 380326197 /nfs/dbraw/zinc/32/61/97/380326197.db2.gz YFWGALVCKWEWIT-KRWDZBQOSA-N 2 2 256.393 3.490 20 0 CGADLP COCCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643502807 380326286 /nfs/dbraw/zinc/32/62/86/380326286.db2.gz RNAPNNLSVOQSJN-SJORKVTESA-N 2 2 294.414 3.025 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC[NH2+]C1CC1 ZINC000643507876 380330648 /nfs/dbraw/zinc/33/06/48/380330648.db2.gz UOPKZNGDMKVOGZ-MRXNPFEDSA-N 2 2 278.465 3.145 20 0 CGADLP CC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000414513216 380288183 /nfs/dbraw/zinc/28/81/83/380288183.db2.gz FWMNUJUJLQKLIB-NSHDSACASA-N 2 2 285.313 3.403 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000643469005 380315959 /nfs/dbraw/zinc/31/59/59/380315959.db2.gz AGAKSUBZFLGBPL-CVEARBPZSA-N 2 2 288.439 3.144 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414690045 380374917 /nfs/dbraw/zinc/37/49/17/380374917.db2.gz HKYFNMIWGYYDAR-ZBFHGGJFSA-N 2 2 276.424 3.206 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414690045 380374921 /nfs/dbraw/zinc/37/49/21/380374921.db2.gz HKYFNMIWGYYDAR-ZBFHGGJFSA-N 2 2 276.424 3.206 20 0 CGADLP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414718256 380387341 /nfs/dbraw/zinc/38/73/41/380387341.db2.gz ZBIJHJLEHMQMHG-QGZVFWFLSA-N 2 2 289.467 3.278 20 0 CGADLP CN(C)c1cccc([C@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414718256 380387346 /nfs/dbraw/zinc/38/73/46/380387346.db2.gz ZBIJHJLEHMQMHG-QGZVFWFLSA-N 2 2 289.467 3.278 20 0 CGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3CC([NH3+])C3)s2)cc1 ZINC000414764788 380394034 /nfs/dbraw/zinc/39/40/34/380394034.db2.gz AXDQFPDAQUZKQX-UHFFFAOYSA-N 2 2 287.432 3.040 20 0 CGADLP Cc1ccc(-c2ncc(C[N@H+](C)C3CC([NH3+])C3)s2)cc1 ZINC000414764788 380394046 /nfs/dbraw/zinc/39/40/46/380394046.db2.gz AXDQFPDAQUZKQX-UHFFFAOYSA-N 2 2 287.432 3.040 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000643525104 380341247 /nfs/dbraw/zinc/34/12/47/380341247.db2.gz WAVNSFVQIJTFPF-OTWHNJEPSA-N 2 2 298.430 3.387 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccsc3Cl)C2)C1 ZINC000354166536 380350979 /nfs/dbraw/zinc/35/09/79/380350979.db2.gz LVJLCDJVQIJRKE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccsc3Cl)C2)C1 ZINC000354166536 380350985 /nfs/dbraw/zinc/35/09/85/380350985.db2.gz LVJLCDJVQIJRKE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccsc3Cl)C2)C1 ZINC000354166536 380350987 /nfs/dbraw/zinc/35/09/87/380350987.db2.gz LVJLCDJVQIJRKE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000354166536 380350991 /nfs/dbraw/zinc/35/09/91/380350991.db2.gz LVJLCDJVQIJRKE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000643538321 380355419 /nfs/dbraw/zinc/35/54/19/380355419.db2.gz GVKONPWYUZYNPG-TUUVXOQKSA-N 2 2 296.817 3.266 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538299 380355672 /nfs/dbraw/zinc/35/56/72/380355672.db2.gz FJXGXLLZDSHLRJ-BPUTZDHNSA-N 2 2 294.414 3.216 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643545885 380358232 /nfs/dbraw/zinc/35/82/32/380358232.db2.gz DWSOIDHGZQTOKH-DGCLKSJQSA-N 2 2 280.362 3.290 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662846 380358529 /nfs/dbraw/zinc/35/85/29/380358529.db2.gz ZVISSVGJPCODMI-SMDDNHRTSA-N 2 2 286.341 3.103 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662846 380358532 /nfs/dbraw/zinc/35/85/32/380358532.db2.gz ZVISSVGJPCODMI-SMDDNHRTSA-N 2 2 286.341 3.103 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662844 380358689 /nfs/dbraw/zinc/35/86/89/380358689.db2.gz ZVISSVGJPCODMI-RISCZKNCSA-N 2 2 286.341 3.103 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662844 380358693 /nfs/dbraw/zinc/35/86/93/380358693.db2.gz ZVISSVGJPCODMI-RISCZKNCSA-N 2 2 286.341 3.103 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCOC2CCCC2)c[nH+]1 ZINC000354198548 380362222 /nfs/dbraw/zinc/36/22/22/380362222.db2.gz JKCUNMWTXALWEJ-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP C[NH2+]CC[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000414820997 380432248 /nfs/dbraw/zinc/43/22/48/380432248.db2.gz DMTDMRCZYGEGLO-VMPITWQZSA-N 2 2 296.414 3.088 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1-c1cccs1 ZINC000414821028 380432806 /nfs/dbraw/zinc/43/28/06/380432806.db2.gz BNDDWGWTGZSNAJ-ZDUSSCGKSA-N 2 2 290.407 3.396 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414839330 380446270 /nfs/dbraw/zinc/44/62/70/380446270.db2.gz WADVXSUBVSRCFQ-BEFAXECRSA-N 2 2 298.430 3.306 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cncc(F)c2)cc1 ZINC000414840156 380447514 /nfs/dbraw/zinc/44/75/14/380447514.db2.gz GRTWTMDCYZEJSS-QGZVFWFLSA-N 2 2 287.382 3.134 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000414839978 380448429 /nfs/dbraw/zinc/44/84/29/380448429.db2.gz WWBVZBAVMSSJJE-CQSZACIVSA-N 2 2 289.448 3.230 20 0 CGADLP Cc1ncsc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414854181 380455628 /nfs/dbraw/zinc/45/56/28/380455628.db2.gz YRKBKUOFSIKCSZ-OAHLLOKOSA-N 2 2 289.448 3.365 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)ccc1C(F)(F)F ZINC000414788841 380404536 /nfs/dbraw/zinc/40/45/36/380404536.db2.gz MYRHIIZQONLJQX-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)ccc1C(F)(F)F ZINC000414788841 380404541 /nfs/dbraw/zinc/40/45/41/380404541.db2.gz MYRHIIZQONLJQX-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000354350606 380409763 /nfs/dbraw/zinc/40/97/63/380409763.db2.gz FPUJUBSWRGTOGK-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000354350606 380409770 /nfs/dbraw/zinc/40/97/70/380409770.db2.gz FPUJUBSWRGTOGK-YVSFHVDLSA-N 2 2 282.472 3.044 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000414796754 380410284 /nfs/dbraw/zinc/41/02/84/380410284.db2.gz HZWHONRBDQMQKE-XHSDSOJGSA-N 2 2 296.405 3.360 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000414798145 380412866 /nfs/dbraw/zinc/41/28/66/380412866.db2.gz FDEJNBPCNZFPJM-UHFFFAOYSA-N 2 2 294.439 3.090 20 0 CGADLP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000414805199 380417950 /nfs/dbraw/zinc/41/79/50/380417950.db2.gz AFZFOEZQSYGOTF-VIFPVBQESA-N 2 2 281.812 3.106 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000414806325 380418622 /nfs/dbraw/zinc/41/86/22/380418622.db2.gz BJPLIWFYCOYMAY-SECBINFHSA-N 2 2 291.258 3.118 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)oc2cc1C ZINC000414922944 380491247 /nfs/dbraw/zinc/49/12/47/380491247.db2.gz GOWXJYFCKXWITH-MEDUHNTESA-N 2 2 272.392 3.137 20 0 CGADLP Fc1ccc2cc[nH+]c(NCCC[NH+]3CCCCC3)c2c1 ZINC000354577352 380492170 /nfs/dbraw/zinc/49/21/70/380492170.db2.gz ZNYLEKMDHVXCBU-UHFFFAOYSA-N 2 2 287.382 3.084 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414940363 380498014 /nfs/dbraw/zinc/49/80/14/380498014.db2.gz ZUGPZDLCGMLPDY-LLVKDONJSA-N 2 2 292.329 3.194 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]CC1CCCCC1 ZINC000414943085 380499583 /nfs/dbraw/zinc/49/95/83/380499583.db2.gz CMXMSZKWNWQJIJ-QGZVFWFLSA-N 2 2 258.409 3.043 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)c2ccncc2)c[nH+]1 ZINC000354648307 380513035 /nfs/dbraw/zinc/51/30/35/380513035.db2.gz LJYQZDARUZPIBV-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H](C)c2ccncc2)c[nH+]1 ZINC000354648307 380513040 /nfs/dbraw/zinc/51/30/40/380513040.db2.gz LJYQZDARUZPIBV-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2ccc(N(C)CC)[nH+]c2)c1 ZINC000414861520 380462100 /nfs/dbraw/zinc/46/21/00/380462100.db2.gz FNGMPZYBUCWYOX-UHFFFAOYSA-N 2 2 298.434 3.259 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2c(C)[nH+]c3ccccn32)c1 ZINC000414864234 380463375 /nfs/dbraw/zinc/46/33/75/380463375.db2.gz JSPHMCYAPFQCQZ-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]c2cccc(C)n12 ZINC000414862592 380463466 /nfs/dbraw/zinc/46/34/66/380463466.db2.gz HQSKOLABWMKDRT-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP c1cc(-c2ccccc2)sc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414863338 380464034 /nfs/dbraw/zinc/46/40/34/380464034.db2.gz IKUGTNQJHCGIRF-AWEZNQCLSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000354525444 380470890 /nfs/dbraw/zinc/47/08/90/380470890.db2.gz JODBNIIOKKITRZ-INIZCTEOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000354525444 380470894 /nfs/dbraw/zinc/47/08/94/380470894.db2.gz JODBNIIOKKITRZ-INIZCTEOSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000416192890 380524921 /nfs/dbraw/zinc/52/49/21/380524921.db2.gz PEXJWTYBOQPMTI-QGZVFWFLSA-N 2 2 297.402 3.330 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000644894102 380540553 /nfs/dbraw/zinc/54/05/53/380540553.db2.gz XMGVFTAFBDBWQL-TUVASFSCSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000644894102 380540558 /nfs/dbraw/zinc/54/05/58/380540558.db2.gz XMGVFTAFBDBWQL-TUVASFSCSA-N 2 2 250.430 3.170 20 0 CGADLP c1cn([C@@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083349 380575713 /nfs/dbraw/zinc/57/57/13/380575713.db2.gz PRFSRFXHFBNFDJ-HZPDHXFCSA-N 2 2 259.397 3.409 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083349 380575720 /nfs/dbraw/zinc/57/57/20/380575720.db2.gz PRFSRFXHFBNFDJ-HZPDHXFCSA-N 2 2 259.397 3.409 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000355301293 380633154 /nfs/dbraw/zinc/63/31/54/380633154.db2.gz BJAJUUDDNLDPEW-CPUCHLNUSA-N 2 2 285.391 3.090 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417297123 380586199 /nfs/dbraw/zinc/58/61/99/380586199.db2.gz IFWGBVLXMXMHGE-HZSPNIEDSA-N 2 2 266.454 3.172 20 0 CGADLP Cc1ccn(C2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)n1 ZINC000355139614 380595043 /nfs/dbraw/zinc/59/50/43/380595043.db2.gz UAHLAOMGVKXCBC-UHFFFAOYSA-N 2 2 298.434 3.165 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161404 380600190 /nfs/dbraw/zinc/60/01/90/380600190.db2.gz VVTAYKBNABPOET-DOMZBBRYSA-N 2 2 266.816 3.078 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161404 380600197 /nfs/dbraw/zinc/60/01/97/380600197.db2.gz VVTAYKBNABPOET-DOMZBBRYSA-N 2 2 266.816 3.078 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355158009 380602191 /nfs/dbraw/zinc/60/21/91/380602191.db2.gz SBADMXHVFJIKHB-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000355158009 380602196 /nfs/dbraw/zinc/60/21/96/380602196.db2.gz SBADMXHVFJIKHB-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP CN(C[C@H]1CCC[N@H+](C)C1)c1[nH+]ccc2cc(F)ccc21 ZINC000645173916 380603619 /nfs/dbraw/zinc/60/36/19/380603619.db2.gz NUVKWCYZNQHZTC-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2cc(F)ccc21 ZINC000645173916 380603625 /nfs/dbraw/zinc/60/36/25/380603625.db2.gz NUVKWCYZNQHZTC-ZDUSSCGKSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417371878 380612632 /nfs/dbraw/zinc/61/26/32/380612632.db2.gz WHXPAWPBVHJNMR-OIISXLGYSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417371878 380612640 /nfs/dbraw/zinc/61/26/40/380612640.db2.gz WHXPAWPBVHJNMR-OIISXLGYSA-N 2 2 270.420 3.212 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000645406928 380674012 /nfs/dbraw/zinc/67/40/12/380674012.db2.gz CTHYCRREGHKQGT-HZPDHXFCSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000645406928 380674016 /nfs/dbraw/zinc/67/40/16/380674016.db2.gz CTHYCRREGHKQGT-HZPDHXFCSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000418110127 380700129 /nfs/dbraw/zinc/70/01/29/380700129.db2.gz BDYNQXLRKJYSGI-LBPRGKRZSA-N 2 2 266.816 3.127 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCSC[C@@H]2C2CCC2)[nH+]1 ZINC000418121987 380706343 /nfs/dbraw/zinc/70/63/43/380706343.db2.gz DIUZVZYUHJXXEX-OAHLLOKOSA-N 2 2 287.432 3.052 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCSC[C@@H]2C2CCC2)[nH+]1 ZINC000418121987 380706347 /nfs/dbraw/zinc/70/63/47/380706347.db2.gz DIUZVZYUHJXXEX-OAHLLOKOSA-N 2 2 287.432 3.052 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CO)CC2CCCCC2)c[nH+]1 ZINC000418129792 380707663 /nfs/dbraw/zinc/70/76/63/380707663.db2.gz SYBRRWMWQKZUSQ-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1ccncc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355598467 380723082 /nfs/dbraw/zinc/72/30/82/380723082.db2.gz MBPYULRAKHIFGA-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccncc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355598467 380723087 /nfs/dbraw/zinc/72/30/87/380723087.db2.gz MBPYULRAKHIFGA-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000645847171 380750028 /nfs/dbraw/zinc/75/00/28/380750028.db2.gz QWHRZTGTIYKHGS-UHFFFAOYSA-N 2 2 270.351 3.351 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645978238 380789140 /nfs/dbraw/zinc/78/91/40/380789140.db2.gz ZBMWHXZQLACKIW-CYBMUJFWSA-N 2 2 278.827 3.403 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645978238 380789145 /nfs/dbraw/zinc/78/91/45/380789145.db2.gz ZBMWHXZQLACKIW-CYBMUJFWSA-N 2 2 278.827 3.403 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]Cc2cccc(C3CC3)c2)CCSC1 ZINC000421364111 380899775 /nfs/dbraw/zinc/89/97/75/380899775.db2.gz NMNFDRUKXCKIGX-KRWDZBQOSA-N 2 2 290.476 3.091 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000357328827 381108144 /nfs/dbraw/zinc/10/81/44/381108144.db2.gz ZEFFLFZGVBBAGQ-NSHDSACASA-N 2 2 286.766 3.007 20 0 CGADLP Cc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cc[nH+]1 ZINC000357683398 381250435 /nfs/dbraw/zinc/25/04/35/381250435.db2.gz MUFRULWECURJTL-UHFFFAOYSA-N 2 2 290.370 3.138 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000360021568 381414339 /nfs/dbraw/zinc/41/43/39/381414339.db2.gz FUKDRVCWFUHBCT-DOTOQJQBSA-N 2 2 294.483 3.046 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000360021568 381414346 /nfs/dbraw/zinc/41/43/46/381414346.db2.gz FUKDRVCWFUHBCT-DOTOQJQBSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360545080 381576949 /nfs/dbraw/zinc/57/69/49/381576949.db2.gz LIZPFRXCLZTVQS-CVEARBPZSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360545080 381576955 /nfs/dbraw/zinc/57/69/55/381576955.db2.gz LIZPFRXCLZTVQS-CVEARBPZSA-N 2 2 280.362 3.101 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000360627210 381598287 /nfs/dbraw/zinc/59/82/87/381598287.db2.gz KEDDJAQDUASAEI-HNNXBMFYSA-N 2 2 275.440 3.484 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000360627210 381598295 /nfs/dbraw/zinc/59/82/95/381598295.db2.gz KEDDJAQDUASAEI-HNNXBMFYSA-N 2 2 275.440 3.484 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]1 ZINC000334868005 207215407 /nfs/dbraw/zinc/21/54/07/207215407.db2.gz HQXYJQGHCADGHZ-VXNVDRBHSA-N 2 2 279.236 3.285 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360833928 381631156 /nfs/dbraw/zinc/63/11/56/381631156.db2.gz HWOOGOIQROBYIB-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000360833928 381631162 /nfs/dbraw/zinc/63/11/62/381631162.db2.gz HWOOGOIQROBYIB-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000178064021 284919407 /nfs/dbraw/zinc/91/94/07/284919407.db2.gz UWDVSOADBHMDSF-AEFFLSMTSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000362516980 382030707 /nfs/dbraw/zinc/03/07/07/382030707.db2.gz VILMDZMMFOKPPB-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000230770253 542304267 /nfs/dbraw/zinc/30/42/67/542304267.db2.gz GLUUUCVLFPANCN-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230770253 542304273 /nfs/dbraw/zinc/30/42/73/542304273.db2.gz GLUUUCVLFPANCN-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000235224066 542310770 /nfs/dbraw/zinc/31/07/70/542310770.db2.gz RHUATDREXJJMLL-NEPJUHHUSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000235510398 542312812 /nfs/dbraw/zinc/31/28/12/542312812.db2.gz ANVLHTMTQWUJKN-SMDDNHRTSA-N 2 2 252.789 3.133 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000365799375 382295275 /nfs/dbraw/zinc/29/52/75/382295275.db2.gz XGXXDKSFXGRITF-NXYGQSRBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000365799375 382295279 /nfs/dbraw/zinc/29/52/79/382295279.db2.gz XGXXDKSFXGRITF-NXYGQSRBSA-N 2 2 292.467 3.085 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247126989 542329907 /nfs/dbraw/zinc/32/99/07/542329907.db2.gz RLCCBQUTTIEMGM-FZMZJTMJSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247126989 542329911 /nfs/dbraw/zinc/32/99/11/542329911.db2.gz RLCCBQUTTIEMGM-FZMZJTMJSA-N 2 2 280.412 3.046 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368102170 382365467 /nfs/dbraw/zinc/36/54/67/382365467.db2.gz MSVMXIMTRQOCST-WMLDXEAASA-N 2 2 269.392 3.254 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368102170 382365469 /nfs/dbraw/zinc/36/54/69/382365469.db2.gz MSVMXIMTRQOCST-WMLDXEAASA-N 2 2 269.392 3.254 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423431756 532975128 /nfs/dbraw/zinc/97/51/28/532975128.db2.gz AVETUPZFLWQCBB-HLTSFMKQSA-N 2 2 292.757 3.328 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000280899004 195020822 /nfs/dbraw/zinc/02/08/22/195020822.db2.gz OFBQLIFLWDMMNU-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000280899004 195020824 /nfs/dbraw/zinc/02/08/24/195020824.db2.gz OFBQLIFLWDMMNU-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP CSc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367592301 533017840 /nfs/dbraw/zinc/01/78/40/533017840.db2.gz BWAHOWLIZJPFCF-YHWZYXNKSA-N 2 2 294.439 3.262 20 0 CGADLP CSc1cccc(F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367592301 533017845 /nfs/dbraw/zinc/01/78/45/533017845.db2.gz BWAHOWLIZJPFCF-YHWZYXNKSA-N 2 2 294.439 3.262 20 0 CGADLP COC1CCC(CC[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000350217008 219000569 /nfs/dbraw/zinc/00/05/69/219000569.db2.gz BMOXINITPUSOER-UHFFFAOYSA-N 2 2 287.407 3.019 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285708804 542388933 /nfs/dbraw/zinc/38/89/33/542388933.db2.gz OSCZNKSHMMJPRN-WMLDXEAASA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285708804 542388934 /nfs/dbraw/zinc/38/89/34/542388934.db2.gz OSCZNKSHMMJPRN-WMLDXEAASA-N 2 2 269.392 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242586 219002337 /nfs/dbraw/zinc/00/23/37/219002337.db2.gz FPXIKGOVOSQICL-XWIAVFTESA-N 2 2 288.410 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242586 219002340 /nfs/dbraw/zinc/00/23/40/219002340.db2.gz FPXIKGOVOSQICL-XWIAVFTESA-N 2 2 288.410 3.301 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(F)cc1F ZINC000289235746 197271612 /nfs/dbraw/zinc/27/16/12/197271612.db2.gz KPRBWSCDVSPEPR-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cccnc1 ZINC000289046824 197220381 /nfs/dbraw/zinc/22/03/81/197220381.db2.gz BCLRHYSITGIKMG-AWEZNQCLSA-N 2 2 255.365 3.068 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300248110 542411830 /nfs/dbraw/zinc/41/18/30/542411830.db2.gz JVFWXDCARNVMTG-CABCVRRESA-N 2 2 278.827 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000300248110 542411833 /nfs/dbraw/zinc/41/18/33/542411833.db2.gz JVFWXDCARNVMTG-CABCVRRESA-N 2 2 278.827 3.365 20 0 CGADLP CCSCC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354508816 220778260 /nfs/dbraw/zinc/77/82/60/220778260.db2.gz JUJVGAORTGIRHD-AWEZNQCLSA-N 2 2 266.454 3.444 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000348087539 542513976 /nfs/dbraw/zinc/51/39/76/542513976.db2.gz POOHTGPYQUYDFF-HOTGVXAUSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208386 542562609 /nfs/dbraw/zinc/56/26/09/542562609.db2.gz GPMOXISCCWUBDI-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208386 542562612 /nfs/dbraw/zinc/56/26/12/542562612.db2.gz GPMOXISCCWUBDI-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C2CC2)c1 ZINC000414125902 533405823 /nfs/dbraw/zinc/40/58/23/533405823.db2.gz NKMBFOPYVMAALM-CYBMUJFWSA-N 2 2 269.392 3.191 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000131691994 533407627 /nfs/dbraw/zinc/40/76/27/533407627.db2.gz WZYMCWQSKJXFIY-GFCCVEGCSA-N 2 2 271.389 3.449 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423313096 533429557 /nfs/dbraw/zinc/42/95/57/533429557.db2.gz FANDNKQZKOLECZ-OQPBUACISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)c(Cl)cc1Cl ZINC000423438612 533531869 /nfs/dbraw/zinc/53/18/69/533531869.db2.gz RLDGSQQJKJCZCW-WRNXMPKJSA-N 2 2 289.181 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423542827 533518265 /nfs/dbraw/zinc/51/82/65/533518265.db2.gz BDORNWBYWMIOHG-BXUZGUMPSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)C[N@@H+]1C1CC1 ZINC000449359173 533648467 /nfs/dbraw/zinc/64/84/67/533648467.db2.gz GKDMOZWCFSFKCT-MGPQQGTHSA-N 2 2 288.460 3.091 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)C[N@H+]1C1CC1 ZINC000449359173 533648478 /nfs/dbraw/zinc/64/84/78/533648478.db2.gz GKDMOZWCFSFKCT-MGPQQGTHSA-N 2 2 288.460 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000389245915 542606525 /nfs/dbraw/zinc/60/65/25/542606525.db2.gz AOZMUQZRRUXQTQ-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000389245915 542606529 /nfs/dbraw/zinc/60/65/29/542606529.db2.gz AOZMUQZRRUXQTQ-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000389453063 542608205 /nfs/dbraw/zinc/60/82/05/542608205.db2.gz QQDACQPMPAEDBH-ZQIUZPCESA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000389453063 542608208 /nfs/dbraw/zinc/60/82/08/542608208.db2.gz QQDACQPMPAEDBH-ZQIUZPCESA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389341198 542608451 /nfs/dbraw/zinc/60/84/51/542608451.db2.gz JENNBIGAMPOFME-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389341198 542608454 /nfs/dbraw/zinc/60/84/54/542608454.db2.gz JENNBIGAMPOFME-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000390561476 542611326 /nfs/dbraw/zinc/61/13/26/542611326.db2.gz KIPMJWLKOHZXKR-RANZSIQMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000390561476 542611327 /nfs/dbraw/zinc/61/13/27/542611327.db2.gz KIPMJWLKOHZXKR-RANZSIQMSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042781826 391986241 /nfs/dbraw/zinc/98/62/41/391986241.db2.gz ZYNLWVSKZXQHPZ-NWDGAFQWSA-N 2 2 252.427 3.041 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000042781826 391986247 /nfs/dbraw/zinc/98/62/47/391986247.db2.gz ZYNLWVSKZXQHPZ-NWDGAFQWSA-N 2 2 252.427 3.041 20 0 CGADLP C[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000063188612 392136686 /nfs/dbraw/zinc/13/66/86/392136686.db2.gz ADNWSAXHDOVTPT-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000063188612 392136690 /nfs/dbraw/zinc/13/66/90/392136690.db2.gz ADNWSAXHDOVTPT-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[N@@H+]1C ZINC000361763009 392317230 /nfs/dbraw/zinc/31/72/30/392317230.db2.gz GBBSSRQLIXLPAM-VNHYZAJKSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC[N@H+]1C ZINC000361763009 392317232 /nfs/dbraw/zinc/31/72/32/392317232.db2.gz GBBSSRQLIXLPAM-VNHYZAJKSA-N 2 2 276.424 3.365 20 0 CGADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691689 392296057 /nfs/dbraw/zinc/29/60/57/392296057.db2.gz GFJNKSXJDBTXGG-NVXWUHKLSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691689 392296062 /nfs/dbraw/zinc/29/60/62/392296062.db2.gz GFJNKSXJDBTXGG-NVXWUHKLSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]CC2(C)CCC2)[NH+](C)C)cc1 ZINC000434774412 542657021 /nfs/dbraw/zinc/65/70/21/542657021.db2.gz INCFOCCBSSDYKY-MRXNPFEDSA-N 2 2 260.425 3.378 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCOc2ccccc2)c[nH+]1 ZINC000361796044 392323394 /nfs/dbraw/zinc/32/33/94/392323394.db2.gz FJKRHMCIFCZHLJ-UHFFFAOYSA-N 2 2 284.403 3.333 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCOc2ccccc2)c[nH+]1 ZINC000361796044 392323401 /nfs/dbraw/zinc/32/34/01/392323401.db2.gz FJKRHMCIFCZHLJ-UHFFFAOYSA-N 2 2 284.403 3.333 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000237571841 131043003 /nfs/dbraw/zinc/04/30/03/131043003.db2.gz ZUEJMTMQCFYDKK-BBRMVZONSA-N 2 2 295.386 3.383 20 0 CGADLP Cc1cccc(OCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247486116 131104032 /nfs/dbraw/zinc/10/40/32/131104032.db2.gz RHHSFYPMAWHNPJ-AEFFLSMTSA-N 2 2 299.418 3.153 20 0 CGADLP C[C@H](CC[N@@H+]1CCC[C@](C)(F)C1)[NH+]1CCC[C@](C)(F)C1 ZINC000451111183 542674292 /nfs/dbraw/zinc/67/42/92/542674292.db2.gz DOKFIMANCXQPII-PMPSAXMXSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[N@H+]1CCC[C@](C)(F)C1)[NH+]1CCC[C@](C)(F)C1 ZINC000451111183 542674296 /nfs/dbraw/zinc/67/42/96/542674296.db2.gz DOKFIMANCXQPII-PMPSAXMXSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@](C)(F)C1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451111183 542674299 /nfs/dbraw/zinc/67/42/99/542674299.db2.gz DOKFIMANCXQPII-PMPSAXMXSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@](C)(F)C1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451111183 542674303 /nfs/dbraw/zinc/67/43/03/542674303.db2.gz DOKFIMANCXQPII-PMPSAXMXSA-N 2 2 288.426 3.413 20 0 CGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000262701090 131252072 /nfs/dbraw/zinc/25/20/72/131252072.db2.gz IFZAZAONUCFVFN-QGZVFWFLSA-N 2 2 299.374 3.330 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000286247935 392378538 /nfs/dbraw/zinc/37/85/38/392378538.db2.gz SCHIYECZSFKXSU-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000286247935 392378543 /nfs/dbraw/zinc/37/85/43/392378543.db2.gz SCHIYECZSFKXSU-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000122792715 392423018 /nfs/dbraw/zinc/42/30/18/392423018.db2.gz ZDUOPKRPZOOHQZ-DDUZABMNSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C[N@H+]1C1CC1 ZINC000122792715 392423025 /nfs/dbraw/zinc/42/30/25/392423025.db2.gz ZDUOPKRPZOOHQZ-DDUZABMNSA-N 2 2 270.420 3.279 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123491900 392428123 /nfs/dbraw/zinc/42/81/23/392428123.db2.gz HNBXMYWLEFPDFZ-SJORKVTESA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123491900 392428132 /nfs/dbraw/zinc/42/81/32/392428132.db2.gz HNBXMYWLEFPDFZ-SJORKVTESA-N 2 2 258.409 3.136 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368298624 392489915 /nfs/dbraw/zinc/48/99/15/392489915.db2.gz HNWXFPBIHNTWGQ-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368298624 392489920 /nfs/dbraw/zinc/48/99/20/392489920.db2.gz HNWXFPBIHNTWGQ-SFHVURJKSA-N 2 2 281.403 3.075 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000152117364 392496692 /nfs/dbraw/zinc/49/66/92/392496692.db2.gz NPLGFECBSOKEMZ-CQSZACIVSA-N 2 2 271.408 3.456 20 0 CGADLP CCCC[C@@H](COC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152249210 392500264 /nfs/dbraw/zinc/50/02/64/392500264.db2.gz JHZSQWCATDPOPV-INIZCTEOSA-N 2 2 287.407 3.167 20 0 CGADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)Cc1ccccc1 ZINC000153172753 392511253 /nfs/dbraw/zinc/51/12/53/392511253.db2.gz OKWZNLVSRWKSDZ-MRXNPFEDSA-N 2 2 283.419 3.352 20 0 CGADLP CCn1ccnc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000295936110 392553444 /nfs/dbraw/zinc/55/34/44/392553444.db2.gz KOJGDVDIRBQDBJ-CYBMUJFWSA-N 2 2 297.406 3.063 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301715395 392596979 /nfs/dbraw/zinc/59/69/79/392596979.db2.gz JOUZSBUULKLCLF-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000301715395 392596983 /nfs/dbraw/zinc/59/69/83/392596983.db2.gz JOUZSBUULKLCLF-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(C)s1 ZINC000647553780 392767594 /nfs/dbraw/zinc/76/75/94/392767594.db2.gz JGIULYMMRVNGIJ-CQSZACIVSA-N 2 2 264.438 3.129 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1OC(F)F ZINC000647549944 392763927 /nfs/dbraw/zinc/76/39/27/392763927.db2.gz YFDPDBYETXIAEE-OBJOEFQTSA-N 2 2 298.377 3.327 20 0 CGADLP CCC1CCC([N@H+](CCn2cc[nH+]c2)C2CC2)CC1 ZINC000179314240 392695672 /nfs/dbraw/zinc/69/56/72/392695672.db2.gz YOCVRVMLANXPAB-UHFFFAOYSA-N 2 2 261.413 3.316 20 0 CGADLP CCC1CCC([N@@H+](CCn2cc[nH+]c2)C2CC2)CC1 ZINC000179314240 392695676 /nfs/dbraw/zinc/69/56/76/392695676.db2.gz YOCVRVMLANXPAB-UHFFFAOYSA-N 2 2 261.413 3.316 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000510716249 392811202 /nfs/dbraw/zinc/81/12/02/392811202.db2.gz FDFCLAVFTNSQOY-OTWHNJEPSA-N 2 2 286.463 3.328 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647870833 392819112 /nfs/dbraw/zinc/81/91/12/392819112.db2.gz CFQGPAWAXWCFIO-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647870833 392819118 /nfs/dbraw/zinc/81/91/18/392819118.db2.gz CFQGPAWAXWCFIO-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890789 392828773 /nfs/dbraw/zinc/82/87/73/392828773.db2.gz UFZSYGCSNJPHDN-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890789 392828776 /nfs/dbraw/zinc/82/87/76/392828776.db2.gz UFZSYGCSNJPHDN-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000338026104 392897086 /nfs/dbraw/zinc/89/70/86/392897086.db2.gz ZTTKLUABEOIEIC-YESZJQIVSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000338026104 392897094 /nfs/dbraw/zinc/89/70/94/392897094.db2.gz ZTTKLUABEOIEIC-YESZJQIVSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC2CCC1CC2 ZINC000381497804 392908687 /nfs/dbraw/zinc/90/86/87/392908687.db2.gz IUXITCACKBBUCQ-LBDPXKHJSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000512661975 392851592 /nfs/dbraw/zinc/85/15/92/392851592.db2.gz VFGFJYJARQFJGB-NPJQDHAYSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000512661975 392851597 /nfs/dbraw/zinc/85/15/97/392851597.db2.gz VFGFJYJARQFJGB-NPJQDHAYSA-N 2 2 252.446 3.129 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000336497272 392859699 /nfs/dbraw/zinc/85/96/99/392859699.db2.gz HBSJEYRDIKKLJM-AAEUAGOBSA-N 2 2 275.421 3.227 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000194866123 392944180 /nfs/dbraw/zinc/94/41/80/392944180.db2.gz LYBKFQQYDWMGDT-OLZOCXBDSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000194866123 392944182 /nfs/dbraw/zinc/94/41/82/392944182.db2.gz LYBKFQQYDWMGDT-OLZOCXBDSA-N 2 2 264.438 3.153 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340210753 392967902 /nfs/dbraw/zinc/96/79/02/392967902.db2.gz ZFBNHLNXXYUBED-AEFFLSMTSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340210753 392967911 /nfs/dbraw/zinc/96/79/11/392967911.db2.gz ZFBNHLNXXYUBED-AEFFLSMTSA-N 2 2 299.418 3.217 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)CCO1 ZINC000648416004 393006203 /nfs/dbraw/zinc/00/62/03/393006203.db2.gz DEMVMEATVBBQII-KSZLIROESA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000648461059 393032496 /nfs/dbraw/zinc/03/24/96/393032496.db2.gz CQCFKGMRVNOPRL-UWWQBHOKSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545857315 393011097 /nfs/dbraw/zinc/01/10/97/393011097.db2.gz MWGXIIUDWGWVLR-KRWDZBQOSA-N 2 2 272.436 3.422 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545857315 393011105 /nfs/dbraw/zinc/01/11/05/393011105.db2.gz MWGXIIUDWGWVLR-KRWDZBQOSA-N 2 2 272.436 3.422 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)C[N@@H+]1C1CC1 ZINC000231632415 393025340 /nfs/dbraw/zinc/02/53/40/393025340.db2.gz IPKRNBPIQKLYFD-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCCC2)C[N@H+]1C1CC1 ZINC000231632415 393025345 /nfs/dbraw/zinc/02/53/45/393025345.db2.gz IPKRNBPIQKLYFD-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP c1cn(CC[NH2+]C2(Cc3ccccc3)CCCCC2)c[nH+]1 ZINC000467189003 393083812 /nfs/dbraw/zinc/08/38/12/393083812.db2.gz BKWSENQVEAEPPP-UHFFFAOYSA-N 2 2 283.419 3.418 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000346707501 393092510 /nfs/dbraw/zinc/09/25/10/393092510.db2.gz OWVNSWQKZHATQA-UNEWFSDZSA-N 2 2 282.472 3.043 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000346707501 393092514 /nfs/dbraw/zinc/09/25/14/393092514.db2.gz OWVNSWQKZHATQA-UNEWFSDZSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCCC(C)(C)C ZINC000347278917 393100973 /nfs/dbraw/zinc/10/09/73/393100973.db2.gz FIXKYUJAURTYBL-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCCC(C)(C)C ZINC000347278917 393100978 /nfs/dbraw/zinc/10/09/78/393100978.db2.gz FIXKYUJAURTYBL-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000547268922 393101188 /nfs/dbraw/zinc/10/11/88/393101188.db2.gz SXBUHFRUUMCHIJ-JKSUJKDBSA-N 2 2 250.430 3.197 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000547268922 393101192 /nfs/dbraw/zinc/10/11/92/393101192.db2.gz SXBUHFRUUMCHIJ-JKSUJKDBSA-N 2 2 250.430 3.197 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000648500339 393068145 /nfs/dbraw/zinc/06/81/45/393068145.db2.gz XVRBKTYOULIATQ-SJORKVTESA-N 2 2 296.499 3.292 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1F ZINC000415044782 393110753 /nfs/dbraw/zinc/11/07/53/393110753.db2.gz BYERZNVSBKFEPA-QGZVFWFLSA-N 2 2 272.367 3.178 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415064678 393123727 /nfs/dbraw/zinc/12/37/27/393123727.db2.gz DKPVSFFTNSTVKP-ZDUSSCGKSA-N 2 2 260.406 3.133 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1N(C)C ZINC000415064584 393124513 /nfs/dbraw/zinc/12/45/13/393124513.db2.gz LCAOHBSSXFXOMF-SFHVURJKSA-N 2 2 297.446 3.105 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000415074244 393130051 /nfs/dbraw/zinc/13/00/51/393130051.db2.gz ZZVPFTJPJDPFBX-LBPRGKRZSA-N 2 2 266.454 3.277 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157886 393181646 /nfs/dbraw/zinc/18/16/46/393181646.db2.gz MQELZWVFNQKNHG-RYRKJORJSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157886 393181649 /nfs/dbraw/zinc/18/16/49/393181649.db2.gz MQELZWVFNQKNHG-RYRKJORJSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000415103965 393147143 /nfs/dbraw/zinc/14/71/43/393147143.db2.gz DHOGQWPJAOFFNH-MORSLUCNSA-N 2 2 299.393 3.365 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C(C)C)CC1 ZINC000468551521 393151886 /nfs/dbraw/zinc/15/18/86/393151886.db2.gz DCWZGCRMHYQGGG-SJORKVTESA-N 2 2 296.499 3.290 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415127484 393152900 /nfs/dbraw/zinc/15/29/00/393152900.db2.gz NGXKDHMBJJHCST-GXTWGEPZSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415127484 393152907 /nfs/dbraw/zinc/15/29/07/393152907.db2.gz NGXKDHMBJJHCST-GXTWGEPZSA-N 2 2 296.842 3.155 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000415136636 393156002 /nfs/dbraw/zinc/15/60/02/393156002.db2.gz XLTXSKCDPVWSEL-UWVGGRQHSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000415136636 393156007 /nfs/dbraw/zinc/15/60/07/393156007.db2.gz XLTXSKCDPVWSEL-UWVGGRQHSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[N@@H+]1C ZINC000353529119 393224852 /nfs/dbraw/zinc/22/48/52/393224852.db2.gz IIFJMMBPPKGLST-KBMXLJTQSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[N@H+]1C ZINC000353529119 393224855 /nfs/dbraw/zinc/22/48/55/393224855.db2.gz IIFJMMBPPKGLST-KBMXLJTQSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475546725 393407652 /nfs/dbraw/zinc/40/76/52/393407652.db2.gz FJVFTAJXCGZAHL-UOJCXKCYSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475546725 393407654 /nfs/dbraw/zinc/40/76/54/393407654.db2.gz FJVFTAJXCGZAHL-UOJCXKCYSA-N 2 2 276.399 3.002 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000417359372 393349684 /nfs/dbraw/zinc/34/96/84/393349684.db2.gz VSBKCNFPKVPHEH-INIZCTEOSA-N 2 2 292.854 3.345 20 0 CGADLP CSC1(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134003 393360797 /nfs/dbraw/zinc/36/07/97/393360797.db2.gz YADNOFUUIUSZFO-ZIAGYGMSSA-N 2 2 279.453 3.052 20 0 CGADLP CSC1(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000356134003 393360800 /nfs/dbraw/zinc/36/08/00/393360800.db2.gz YADNOFUUIUSZFO-ZIAGYGMSSA-N 2 2 279.453 3.052 20 0 CGADLP CSC1(C[N@H+](C)CCC[NH+](C)Cc2ccco2)CCC1 ZINC000356316133 393418802 /nfs/dbraw/zinc/41/88/02/393418802.db2.gz ISVQPGUFCHWTRW-UHFFFAOYSA-N 2 2 296.480 3.319 20 0 CGADLP CSC1(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CCC1 ZINC000356316133 393418807 /nfs/dbraw/zinc/41/88/07/393418807.db2.gz ISVQPGUFCHWTRW-UHFFFAOYSA-N 2 2 296.480 3.319 20 0 CGADLP CSC1(C[NH+](C)CCC[N@H+](C)Cc2ccco2)CCC1 ZINC000356316133 393418811 /nfs/dbraw/zinc/41/88/11/393418811.db2.gz ISVQPGUFCHWTRW-UHFFFAOYSA-N 2 2 296.480 3.319 20 0 CGADLP CSC1(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CCC1 ZINC000356316133 393418816 /nfs/dbraw/zinc/41/88/16/393418816.db2.gz ISVQPGUFCHWTRW-UHFFFAOYSA-N 2 2 296.480 3.319 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@@H](C)C3)cn21 ZINC000647262607 393421081 /nfs/dbraw/zinc/42/10/81/393421081.db2.gz GTUQOMDKVJITHO-HIFRSBDPSA-N 2 2 271.408 3.354 20 0 CGADLP C[NH+](C)CCc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000649438597 393429819 /nfs/dbraw/zinc/42/98/19/393429819.db2.gz IHOSHIGRNPZHTA-UHFFFAOYSA-N 2 2 295.430 3.453 20 0 CGADLP Cc1cc(NC[C@H]([NH3+])C(C)C)c2cccc(F)c2[nH+]1 ZINC000420180855 393433387 /nfs/dbraw/zinc/43/33/87/393433387.db2.gz DJIVOYPJDGXNAP-ZDUSSCGKSA-N 2 2 261.344 3.078 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391437 393481549 /nfs/dbraw/zinc/48/15/49/393481549.db2.gz IHUMXEFFBXZMCZ-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420391437 393481554 /nfs/dbraw/zinc/48/15/54/393481554.db2.gz IHUMXEFFBXZMCZ-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000420285568 393450235 /nfs/dbraw/zinc/45/02/35/393450235.db2.gz FEYFCQROTSAEBR-LBPRGKRZSA-N 2 2 290.238 3.194 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000420285568 393450240 /nfs/dbraw/zinc/45/02/40/393450240.db2.gz FEYFCQROTSAEBR-LBPRGKRZSA-N 2 2 290.238 3.194 20 0 CGADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427851017 393457409 /nfs/dbraw/zinc/45/74/09/393457409.db2.gz JMVMGXWBQXCVPN-IXDOHACOSA-N 2 2 299.393 3.263 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)o2)cc1 ZINC000420411595 393484272 /nfs/dbraw/zinc/48/42/72/393484272.db2.gz RXEZKUGLRNARCS-HOCLYGCPSA-N 2 2 299.418 3.067 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427894113 393458843 /nfs/dbraw/zinc/45/88/43/393458843.db2.gz KHPXKYJNIWFANZ-IRXDYDNUSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)o2)cc1 ZINC000420411595 393484275 /nfs/dbraw/zinc/48/42/75/393484275.db2.gz RXEZKUGLRNARCS-HOCLYGCPSA-N 2 2 299.418 3.067 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420393258 393483328 /nfs/dbraw/zinc/48/33/28/393483328.db2.gz BZBNAXIQPIMNQL-KGLIPLIRSA-N 2 2 295.496 3.148 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420393258 393483331 /nfs/dbraw/zinc/48/33/31/393483331.db2.gz BZBNAXIQPIMNQL-KGLIPLIRSA-N 2 2 295.496 3.148 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475574677 393408933 /nfs/dbraw/zinc/40/89/33/393408933.db2.gz WZQQZXSZRSEYGA-OXXUSNJHSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000475574677 393408936 /nfs/dbraw/zinc/40/89/36/393408936.db2.gz WZQQZXSZRSEYGA-OXXUSNJHSA-N 2 2 290.426 3.392 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(F)cc1Cl ZINC000356292704 393411194 /nfs/dbraw/zinc/41/11/94/393411194.db2.gz DJRZSFBHPUEQIO-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(F)cc1Cl ZINC000356292704 393411198 /nfs/dbraw/zinc/41/11/98/393411198.db2.gz DJRZSFBHPUEQIO-UHFFFAOYSA-N 2 2 295.789 3.240 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@H]1C)c1cccc(OC)c1 ZINC000488439716 393513541 /nfs/dbraw/zinc/51/35/41/393513541.db2.gz OLGDOIPVRXFADO-QGPMSJSTSA-N 2 2 290.451 3.324 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000358014102 393518930 /nfs/dbraw/zinc/51/89/30/393518930.db2.gz BNEAGLMKWMAHEM-COXVUDFISA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000358014102 393518936 /nfs/dbraw/zinc/51/89/36/393518936.db2.gz BNEAGLMKWMAHEM-COXVUDFISA-N 2 2 272.436 3.339 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568725 393577169 /nfs/dbraw/zinc/57/71/69/393577169.db2.gz WYFZWVNVXKLMFP-SFHVURJKSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568725 393577173 /nfs/dbraw/zinc/57/71/73/393577173.db2.gz WYFZWVNVXKLMFP-SFHVURJKSA-N 2 2 298.430 3.293 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421011166 393572498 /nfs/dbraw/zinc/57/24/98/393572498.db2.gz DEEXFHMBCVJJFS-QGZVFWFLSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421011166 393572507 /nfs/dbraw/zinc/57/25/07/393572507.db2.gz DEEXFHMBCVJJFS-QGZVFWFLSA-N 2 2 283.419 3.460 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863078 393601116 /nfs/dbraw/zinc/60/11/16/393601116.db2.gz YUPYEMXSRDNYLD-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863078 393601121 /nfs/dbraw/zinc/60/11/21/393601121.db2.gz YUPYEMXSRDNYLD-MSOLQXFVSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000360887068 393606813 /nfs/dbraw/zinc/60/68/13/393606813.db2.gz VERYRQQZIMUPSK-VQIMIIECSA-N 2 2 296.414 3.414 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000360887068 393606817 /nfs/dbraw/zinc/60/68/17/393606817.db2.gz VERYRQQZIMUPSK-VQIMIIECSA-N 2 2 296.414 3.414 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000430605340 393580975 /nfs/dbraw/zinc/58/09/75/393580975.db2.gz SHQVMAJUMUUDCY-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000430605340 393580990 /nfs/dbraw/zinc/58/09/90/393580990.db2.gz SHQVMAJUMUUDCY-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1cccc2ccccc21 ZINC000430631371 393581565 /nfs/dbraw/zinc/58/15/65/393581565.db2.gz BDIYWBKBHJXZIL-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1cccc2ccccc21 ZINC000430631371 393581570 /nfs/dbraw/zinc/58/15/70/393581570.db2.gz BDIYWBKBHJXZIL-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639502 393582396 /nfs/dbraw/zinc/58/23/96/393582396.db2.gz GBVIYZQRKTUZGP-ZIAGYGMSSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639502 393582404 /nfs/dbraw/zinc/58/24/04/393582404.db2.gz GBVIYZQRKTUZGP-ZIAGYGMSSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)[C@@H]1CCC[NH2+]1 ZINC000422943223 393647516 /nfs/dbraw/zinc/64/75/16/393647516.db2.gz XSNBXHIWAZCOPB-NZVBXONLSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)s1 ZINC000423360384 393663670 /nfs/dbraw/zinc/66/36/70/393663670.db2.gz LJAVTEQJIJSHDU-CHIMOYNISA-N 2 2 252.427 3.014 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000423396348 393665656 /nfs/dbraw/zinc/66/56/56/393665656.db2.gz NRZSARQRNQFHDK-FHWLQOOXSA-N 2 2 298.430 3.244 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)[NH+]1CCCC1 ZINC000361078163 393667496 /nfs/dbraw/zinc/66/74/96/393667496.db2.gz GHAXITIRSMDXDC-QAPCUYQASA-N 2 2 288.435 3.234 20 0 CGADLP C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000361085527 393668357 /nfs/dbraw/zinc/66/83/57/393668357.db2.gz IJOVBDFJIYOFEB-ZBFHGGJFSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000361085527 393668358 /nfs/dbraw/zinc/66/83/58/393668358.db2.gz IJOVBDFJIYOFEB-ZBFHGGJFSA-N 2 2 289.448 3.460 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000361099025 393671898 /nfs/dbraw/zinc/67/18/98/393671898.db2.gz VFRFIDRISPLAMC-IHRRRGAJSA-N 2 2 295.496 3.470 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(-c3ccccc3)cc2)C1 ZINC000666945576 542827532 /nfs/dbraw/zinc/82/75/32/542827532.db2.gz YPVUOXPZWIIQSE-ROUUACIJSA-N 2 2 284.378 3.143 20 0 CGADLP Cc1cc(NC[C@@H](C)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000443435869 393757426 /nfs/dbraw/zinc/75/74/26/393757426.db2.gz HSCLZFPBCXUJBH-LLVKDONJSA-N 2 2 261.344 3.044 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000666948188 542827984 /nfs/dbraw/zinc/82/79/84/542827984.db2.gz UREOXHCMZMMMSZ-CAOSSQGBSA-N 2 2 296.817 3.266 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000433306870 393710383 /nfs/dbraw/zinc/71/03/83/393710383.db2.gz TUJRIRCFXYDPCG-HZPDHXFCSA-N 2 2 258.409 3.210 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000433306870 393710385 /nfs/dbraw/zinc/71/03/85/393710385.db2.gz TUJRIRCFXYDPCG-HZPDHXFCSA-N 2 2 258.409 3.210 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000498380333 393782014 /nfs/dbraw/zinc/78/20/14/393782014.db2.gz FZRIECRKWRLTNT-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@]12C[C@@H]1CCC[C@H]2[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000502457408 393876458 /nfs/dbraw/zinc/87/64/58/393876458.db2.gz WXJGTEFZWMYFKK-ZMSDIMECSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@]12C[C@@H]1CCC[C@H]2[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000502457408 393876465 /nfs/dbraw/zinc/87/64/65/393876465.db2.gz WXJGTEFZWMYFKK-ZMSDIMECSA-N 2 2 264.457 3.277 20 0 CGADLP CO[C@H]1C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635861 393930904 /nfs/dbraw/zinc/93/09/04/393930904.db2.gz VCFCGLPRMDZRGB-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635861 393930906 /nfs/dbraw/zinc/93/09/06/393930906.db2.gz VCFCGLPRMDZRGB-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2Cl)C1 ZINC000450475102 393998855 /nfs/dbraw/zinc/99/88/55/393998855.db2.gz VPFLDTUIFKGNJP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cccc2Cl)C1 ZINC000450475102 393998859 /nfs/dbraw/zinc/99/88/59/393998859.db2.gz VPFLDTUIFKGNJP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2Cl)C1 ZINC000450475102 393998864 /nfs/dbraw/zinc/99/88/64/393998864.db2.gz VPFLDTUIFKGNJP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2Cl)C1 ZINC000450475102 393998868 /nfs/dbraw/zinc/99/88/68/393998868.db2.gz VPFLDTUIFKGNJP-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[N@H+](C)C1CC1 ZINC000453096809 394169687 /nfs/dbraw/zinc/16/96/87/394169687.db2.gz IGXFUFKYKGZGJH-BLLLJJGKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[N@@H+](C)C1CC1 ZINC000453096809 394169688 /nfs/dbraw/zinc/16/96/88/394169688.db2.gz IGXFUFKYKGZGJH-BLLLJJGKSA-N 2 2 250.430 3.028 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)Nc1cc2c(c[nH+]1)CCCC2 ZINC000453246573 394219038 /nfs/dbraw/zinc/21/90/38/394219038.db2.gz VOPQVOMRKLDRNF-LBPRGKRZSA-N 2 2 270.380 3.350 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000453248584 394219930 /nfs/dbraw/zinc/21/99/30/394219930.db2.gz JDZSTKPIZXQLKC-NEPJUHHUSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000453248584 394219933 /nfs/dbraw/zinc/21/99/33/394219933.db2.gz JDZSTKPIZXQLKC-NEPJUHHUSA-N 2 2 261.394 3.069 20 0 CGADLP c1[nH+]c2n(c1C[NH+]1CCC3(CCCCC3)CC1)CCC2 ZINC000667586628 542893738 /nfs/dbraw/zinc/89/37/38/542893738.db2.gz VAKRSNZRHULRQJ-UHFFFAOYSA-N 2 2 273.424 3.376 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)n1C ZINC000667590574 542895156 /nfs/dbraw/zinc/89/51/56/542895156.db2.gz ZIWVLKGAGPILTG-KRWDZBQOSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2ccc(C)cc2)n1C ZINC000667590574 542895157 /nfs/dbraw/zinc/89/51/57/542895157.db2.gz ZIWVLKGAGPILTG-KRWDZBQOSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590524 542895214 /nfs/dbraw/zinc/89/52/14/542895214.db2.gz XYPPQYSDPABKMO-QGZVFWFLSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590524 542895217 /nfs/dbraw/zinc/89/52/17/542895217.db2.gz XYPPQYSDPABKMO-QGZVFWFLSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)n1C ZINC000667536322 542886101 /nfs/dbraw/zinc/88/61/01/542886101.db2.gz VWUOHDUYHLZMES-SFHVURJKSA-N 2 2 281.403 3.380 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1C ZINC000667536322 542886105 /nfs/dbraw/zinc/88/61/05/542886105.db2.gz VWUOHDUYHLZMES-SFHVURJKSA-N 2 2 281.403 3.380 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667641499 542903035 /nfs/dbraw/zinc/90/30/35/542903035.db2.gz WDHJSIQJIPOHHE-QGZVFWFLSA-N 2 2 269.392 3.238 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667641499 542903040 /nfs/dbraw/zinc/90/30/40/542903040.db2.gz WDHJSIQJIPOHHE-QGZVFWFLSA-N 2 2 269.392 3.238 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647661 542903768 /nfs/dbraw/zinc/90/37/68/542903768.db2.gz AXVDSTXQGYFNLD-HOCLYGCPSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647661 542903771 /nfs/dbraw/zinc/90/37/71/542903771.db2.gz AXVDSTXQGYFNLD-HOCLYGCPSA-N 2 2 281.403 3.207 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667669581 542911748 /nfs/dbraw/zinc/91/17/48/542911748.db2.gz VXWKEZOTQXCHKJ-MRXNPFEDSA-N 2 2 271.408 3.182 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667669581 542911751 /nfs/dbraw/zinc/91/17/51/542911751.db2.gz VXWKEZOTQXCHKJ-MRXNPFEDSA-N 2 2 271.408 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)n1C ZINC000667672088 542913778 /nfs/dbraw/zinc/91/37/78/542913778.db2.gz JXFYTLXYJMXGLI-DYVFJYSZSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)n1C ZINC000667658891 542909477 /nfs/dbraw/zinc/90/94/77/542909477.db2.gz UKSUNMNSVCLAIT-GDBMZVCRSA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)n1C ZINC000667658891 542909478 /nfs/dbraw/zinc/90/94/78/542909478.db2.gz UKSUNMNSVCLAIT-GDBMZVCRSA-N 2 2 283.419 3.415 20 0 CGADLP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000667765927 542926122 /nfs/dbraw/zinc/92/61/22/542926122.db2.gz LZTDKDDAMBLCKC-FDQGKXFDSA-N 2 2 297.402 3.090 20 0 CGADLP CC(C)C1(C)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668012257 542957751 /nfs/dbraw/zinc/95/77/51/542957751.db2.gz XENGUGURZRNHQM-UHFFFAOYSA-N 2 2 261.413 3.087 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000668431794 543012519 /nfs/dbraw/zinc/01/25/19/543012519.db2.gz DVSMQSSQXSISDN-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000668431794 543012521 /nfs/dbraw/zinc/01/25/21/543012521.db2.gz DVSMQSSQXSISDN-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423388140 285622305 /nfs/dbraw/zinc/62/23/05/285622305.db2.gz TWUZPRLFHQDVET-RISCZKNCSA-N 2 2 282.815 3.141 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550648250 289080241 /nfs/dbraw/zinc/08/02/41/289080241.db2.gz ZVGSCYDRFNBGDU-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000670154714 543141955 /nfs/dbraw/zinc/14/19/55/543141955.db2.gz UNTZUBMFRDCYFQ-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000670154714 543141957 /nfs/dbraw/zinc/14/19/57/543141957.db2.gz UNTZUBMFRDCYFQ-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)C[C@H]1C ZINC000672243151 543205736 /nfs/dbraw/zinc/20/57/36/543205736.db2.gz VLOAKSPAMNAFAB-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)C[C@H]1C ZINC000672243151 543205738 /nfs/dbraw/zinc/20/57/38/543205738.db2.gz VLOAKSPAMNAFAB-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCOC)c1ccccc1 ZINC000045017489 397621626 /nfs/dbraw/zinc/62/16/26/397621626.db2.gz AEJRVMCJNRLXFG-WBVHZDCISA-N 2 2 278.440 3.084 20 0 CGADLP COc1cccc2c(NCCC3CC[NH2+]CC3)cc[nH+]c12 ZINC000650310018 397814908 /nfs/dbraw/zinc/81/49/08/397814908.db2.gz JEEQJZHZKLBNNK-UHFFFAOYSA-N 2 2 285.391 3.045 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768454 543363294 /nfs/dbraw/zinc/36/32/94/543363294.db2.gz YDLPNXQPNAGJRK-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768454 543363295 /nfs/dbraw/zinc/36/32/95/543363295.db2.gz YDLPNXQPNAGJRK-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744419 543359752 /nfs/dbraw/zinc/35/97/52/543359752.db2.gz VWZSTDGRUPYPBN-YOEHRIQHSA-N 2 2 272.436 3.037 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744419 543359754 /nfs/dbraw/zinc/35/97/54/543359754.db2.gz VWZSTDGRUPYPBN-YOEHRIQHSA-N 2 2 272.436 3.037 20 0 CGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000675883500 543370102 /nfs/dbraw/zinc/37/01/02/543370102.db2.gz CVIKBOQLIIOYLN-HNNXBMFYSA-N 2 2 289.467 3.318 20 0 CGADLP CC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675920887 543373690 /nfs/dbraw/zinc/37/36/90/543373690.db2.gz LCCGPLFOFHVHCW-DZGCQCFKSA-N 2 2 257.381 3.092 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923878 543374374 /nfs/dbraw/zinc/37/43/74/543374374.db2.gz UZZFEAGIYHLBTK-DJIMGWMZSA-N 2 2 283.419 3.482 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000677127554 543433965 /nfs/dbraw/zinc/43/39/65/543433965.db2.gz MWNGPNIAFVQVET-IVOILVROSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000677127554 543433967 /nfs/dbraw/zinc/43/39/67/543433967.db2.gz MWNGPNIAFVQVET-IVOILVROSA-N 2 2 278.827 3.427 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000361219415 292169163 /nfs/dbraw/zinc/16/91/63/292169163.db2.gz CTVYKXCWUIBZHU-GJZGRUSLSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1C ZINC000677984510 543475165 /nfs/dbraw/zinc/47/51/65/543475165.db2.gz LFMOBTXHCMJJHJ-KRWDZBQOSA-N 2 2 269.392 3.201 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1C ZINC000677984510 543475168 /nfs/dbraw/zinc/47/51/68/543475168.db2.gz LFMOBTXHCMJJHJ-KRWDZBQOSA-N 2 2 269.392 3.201 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000678592429 543539147 /nfs/dbraw/zinc/53/91/47/543539147.db2.gz DFGMCQQAKYFMOF-CVEARBPZSA-N 2 2 290.476 3.135 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000678592429 543539148 /nfs/dbraw/zinc/53/91/48/543539148.db2.gz DFGMCQQAKYFMOF-CVEARBPZSA-N 2 2 290.476 3.135 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000678767643 543554787 /nfs/dbraw/zinc/55/47/87/543554787.db2.gz BPCCAAUIRYDJAQ-KSSFIOAISA-N 2 2 272.436 3.384 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000678767643 543554789 /nfs/dbraw/zinc/55/47/89/543554789.db2.gz BPCCAAUIRYDJAQ-KSSFIOAISA-N 2 2 272.436 3.384 20 0 CGADLP C[N@H+](Cc1ccsc1)Cc1cccc2[nH+]ccn21 ZINC000678812409 543561121 /nfs/dbraw/zinc/56/11/21/543561121.db2.gz ROOMNTIPKUQNKF-UHFFFAOYSA-N 2 2 257.362 3.028 20 0 CGADLP C[N@@H+](Cc1ccsc1)Cc1cccc2[nH+]ccn21 ZINC000678812409 543561122 /nfs/dbraw/zinc/56/11/22/543561122.db2.gz ROOMNTIPKUQNKF-UHFFFAOYSA-N 2 2 257.362 3.028 20 0 CGADLP Cc1ccc(C[N@H+](Cc2cccc3[nH+]ccn32)C2CC2)o1 ZINC000678813692 543561845 /nfs/dbraw/zinc/56/18/45/543561845.db2.gz GDFATHUADFWVCA-UHFFFAOYSA-N 2 2 281.359 3.400 20 0 CGADLP Cc1ccc(C[N@@H+](Cc2cccc3[nH+]ccn32)C2CC2)o1 ZINC000678813692 543561846 /nfs/dbraw/zinc/56/18/46/543561846.db2.gz GDFATHUADFWVCA-UHFFFAOYSA-N 2 2 281.359 3.400 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000678822155 543563263 /nfs/dbraw/zinc/56/32/63/543563263.db2.gz FFBJJVUGGZNUTM-QGZVFWFLSA-N 2 2 283.419 3.498 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000678822155 543563264 /nfs/dbraw/zinc/56/32/64/543563264.db2.gz FFBJJVUGGZNUTM-QGZVFWFLSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C ZINC000494587417 292248301 /nfs/dbraw/zinc/24/83/01/292248301.db2.gz SQAQQMKTLWLAMD-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1C ZINC000494587417 292248302 /nfs/dbraw/zinc/24/83/02/292248302.db2.gz SQAQQMKTLWLAMD-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423212217 292260647 /nfs/dbraw/zinc/26/06/47/292260647.db2.gz JLBJTPIFDOAARC-IAGOWNOFSA-N 2 2 258.409 3.178 20 0 CGADLP COCC1CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449075678 292264460 /nfs/dbraw/zinc/26/44/60/292264460.db2.gz FXIMISWHVCYWFU-XNIRIUNOSA-N 2 2 282.472 3.044 20 0 CGADLP COCC1CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000449075678 292264462 /nfs/dbraw/zinc/26/44/62/292264462.db2.gz FXIMISWHVCYWFU-XNIRIUNOSA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423403682 286355440 /nfs/dbraw/zinc/35/54/40/286355440.db2.gz ZHUDQHUSBDDEDW-CZUORRHYSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358212761 292316154 /nfs/dbraw/zinc/31/61/54/292316154.db2.gz ASIQILHMXXNONM-JEBQAFNWSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358212761 292316156 /nfs/dbraw/zinc/31/61/56/292316156.db2.gz ASIQILHMXXNONM-JEBQAFNWSA-N 2 2 270.420 3.055 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000080427731 287065283 /nfs/dbraw/zinc/06/52/83/287065283.db2.gz BDYBWBHYKPCCPG-PVAVHDDUSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000080430662 165153880 /nfs/dbraw/zinc/15/38/80/165153880.db2.gz HBXURKIBXIUKDE-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C)n1-c1ccccc1 ZINC000090992086 165250858 /nfs/dbraw/zinc/25/08/58/165250858.db2.gz AKIBOXBEEZKWRN-UHFFFAOYSA-N 2 2 257.381 3.316 20 0 CGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959692 165276856 /nfs/dbraw/zinc/27/68/56/165276856.db2.gz RHRPKNKQEMCXDS-MAUKXSAKSA-N 2 2 299.418 3.365 20 0 CGADLP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959692 165276862 /nfs/dbraw/zinc/27/68/62/165276862.db2.gz RHRPKNKQEMCXDS-MAUKXSAKSA-N 2 2 299.418 3.365 20 0 CGADLP Cc1ccsc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960316 165278456 /nfs/dbraw/zinc/27/84/56/165278456.db2.gz CTZUFRAQVKBJII-TZMCWYRMSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccsc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960316 165278460 /nfs/dbraw/zinc/27/84/60/165278460.db2.gz CTZUFRAQVKBJII-TZMCWYRMSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959767 165279989 /nfs/dbraw/zinc/27/99/89/165279989.db2.gz ZNBUSXYSNXDYKU-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000091959767 165279994 /nfs/dbraw/zinc/27/99/94/165279994.db2.gz ZNBUSXYSNXDYKU-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP c1cc2c(cccc2C[NH+]2CCC(n3cc[nH+]c3)CC2)[nH]1 ZINC000092659291 165308253 /nfs/dbraw/zinc/30/82/53/165308253.db2.gz MUFASEBIMWSBHP-UHFFFAOYSA-N 2 2 280.375 3.202 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000093063103 165322029 /nfs/dbraw/zinc/32/20/29/165322029.db2.gz YIMLSSQCABSJKL-CQSZACIVSA-N 2 2 278.415 3.426 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC000093659884 165332854 /nfs/dbraw/zinc/33/28/54/165332854.db2.gz YQTWLBHINBKMBF-MRXNPFEDSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(F)cc(F)c1 ZINC000093659884 165332858 /nfs/dbraw/zinc/33/28/58/165332858.db2.gz YQTWLBHINBKMBF-MRXNPFEDSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(F)cc(F)c1 ZINC000093659884 165332863 /nfs/dbraw/zinc/33/28/63/165332863.db2.gz YQTWLBHINBKMBF-MRXNPFEDSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)cc(F)c1 ZINC000093659884 165332867 /nfs/dbraw/zinc/33/28/67/165332867.db2.gz YQTWLBHINBKMBF-MRXNPFEDSA-N 2 2 282.378 3.271 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683593 165333958 /nfs/dbraw/zinc/33/39/58/165333958.db2.gz ZBQCWZHURYCCPK-OAHLLOKOSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683593 165333960 /nfs/dbraw/zinc/33/39/60/165333960.db2.gz ZBQCWZHURYCCPK-OAHLLOKOSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000093660043 165334742 /nfs/dbraw/zinc/33/47/42/165334742.db2.gz QDXPYEIOFQTMDY-CQSZACIVSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)o1 ZINC000093660043 165334745 /nfs/dbraw/zinc/33/47/45/165334745.db2.gz QDXPYEIOFQTMDY-CQSZACIVSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000093660043 165334748 /nfs/dbraw/zinc/33/47/48/165334748.db2.gz QDXPYEIOFQTMDY-CQSZACIVSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000093660043 165334753 /nfs/dbraw/zinc/33/47/53/165334753.db2.gz QDXPYEIOFQTMDY-CQSZACIVSA-N 2 2 264.413 3.148 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094339157 165348644 /nfs/dbraw/zinc/34/86/44/165348644.db2.gz AZJKSOQOMTUDED-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC[C@@H]1[NH3+] ZINC000094339157 165348649 /nfs/dbraw/zinc/34/86/49/165348649.db2.gz AZJKSOQOMTUDED-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261578772 165822293 /nfs/dbraw/zinc/82/22/93/165822293.db2.gz PBFAURAHJCREOJ-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261578772 165822295 /nfs/dbraw/zinc/82/22/95/165822295.db2.gz PBFAURAHJCREOJ-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123052152 287215506 /nfs/dbraw/zinc/21/55/06/287215506.db2.gz ICLBIYPFJDVOEN-CVEARBPZSA-N 2 2 260.425 3.110 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123052152 287215507 /nfs/dbraw/zinc/21/55/07/287215507.db2.gz ICLBIYPFJDVOEN-CVEARBPZSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000284508667 196073464 /nfs/dbraw/zinc/07/34/64/196073464.db2.gz VYRZXQGVUHQSIS-YOEHRIQHSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C)cc1 ZINC000020186595 171050907 /nfs/dbraw/zinc/05/09/07/171050907.db2.gz BRTQMEZFEXWWAH-UHFFFAOYSA-N 2 2 279.387 3.443 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000020506080 171228129 /nfs/dbraw/zinc/22/81/29/171228129.db2.gz FPGYNRFCBOFUBJ-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506117 171228470 /nfs/dbraw/zinc/22/84/70/171228470.db2.gz HUOWBKVZAWIWML-ZDUSSCGKSA-N 2 2 275.421 3.346 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000021023016 171290651 /nfs/dbraw/zinc/29/06/51/171290651.db2.gz SRBRKPABVSBWOQ-HNNXBMFYSA-N 2 2 260.425 3.386 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000035275165 172095673 /nfs/dbraw/zinc/09/56/73/172095673.db2.gz KKXRRJRDRWURMU-JTQLQIEISA-N 2 2 284.190 3.368 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000285352410 196258555 /nfs/dbraw/zinc/25/85/55/196258555.db2.gz AAMRRCPDUXMGLZ-AAOUONPWSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000285352410 196258556 /nfs/dbraw/zinc/25/85/56/196258556.db2.gz AAMRRCPDUXMGLZ-AAOUONPWSA-N 2 2 280.362 3.050 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037213776 173034059 /nfs/dbraw/zinc/03/40/59/173034059.db2.gz GLHNLSCJKZYCPT-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037213776 173034062 /nfs/dbraw/zinc/03/40/62/173034062.db2.gz GLHNLSCJKZYCPT-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285769486 196393032 /nfs/dbraw/zinc/39/30/32/196393032.db2.gz SSZJDGLHWMUEHO-CQSZACIVSA-N 2 2 294.402 3.399 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC000127335905 287285766 /nfs/dbraw/zinc/28/57/66/287285766.db2.gz FKDXQWOWCUDKGN-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2ccc(F)cc2)C1)C1CC1 ZINC000127335905 287285767 /nfs/dbraw/zinc/28/57/67/287285767.db2.gz FKDXQWOWCUDKGN-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038087628 174099618 /nfs/dbraw/zinc/09/96/18/174099618.db2.gz RTYMUAKNWUZBCC-HUUCEWRRSA-N 2 2 262.441 3.283 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000127847091 287297123 /nfs/dbraw/zinc/29/71/23/287297123.db2.gz UUFYWZDEPNNMIT-LBPRGKRZSA-N 2 2 285.322 3.455 20 0 CGADLP Cc1ccc(SCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000127882079 287298101 /nfs/dbraw/zinc/29/81/01/287298101.db2.gz RCMXBECQLYPZCV-UHFFFAOYSA-N 2 2 292.492 3.422 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000044558678 175203693 /nfs/dbraw/zinc/20/36/93/175203693.db2.gz YJMSWYNYWYDMOB-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000044558678 175203695 /nfs/dbraw/zinc/20/36/95/175203695.db2.gz YJMSWYNYWYDMOB-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000128272258 287307615 /nfs/dbraw/zinc/30/76/15/287307615.db2.gz HMRGWYRIWZYGNO-KRWDZBQOSA-N 2 2 290.476 3.093 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128578977 287313907 /nfs/dbraw/zinc/31/39/07/287313907.db2.gz WQTZUNJDAWPVGE-CHWSQXEVSA-N 2 2 281.469 3.086 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128578977 287313910 /nfs/dbraw/zinc/31/39/10/287313910.db2.gz WQTZUNJDAWPVGE-CHWSQXEVSA-N 2 2 281.469 3.086 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1CC[NH3+] ZINC000404453495 416553470 /nfs/dbraw/zinc/55/34/70/416553470.db2.gz ZUAGYIQJVDFAFX-QMTHXVAHSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1CC[NH3+] ZINC000404453495 416553475 /nfs/dbraw/zinc/55/34/75/416553475.db2.gz ZUAGYIQJVDFAFX-QMTHXVAHSA-N 2 2 286.341 3.053 20 0 CGADLP Cc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405978274 416559181 /nfs/dbraw/zinc/55/91/81/416559181.db2.gz CKMFWRPKOBNFPG-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405978274 416559182 /nfs/dbraw/zinc/55/91/82/416559182.db2.gz CKMFWRPKOBNFPG-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000679349695 543624693 /nfs/dbraw/zinc/62/46/93/543624693.db2.gz XDGHNJJGPSLJEW-RKVPGOIHSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000679349695 543624695 /nfs/dbraw/zinc/62/46/95/543624695.db2.gz XDGHNJJGPSLJEW-RKVPGOIHSA-N 2 2 272.436 3.171 20 0 CGADLP C[C@@H]1CCC[NH+](CC[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000358926317 287348306 /nfs/dbraw/zinc/34/83/06/287348306.db2.gz PPKRAOAQKSDURO-HZPDHXFCSA-N 2 2 252.446 3.230 20 0 CGADLP C[C@@H]1CCC[NH+](CC[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000358926317 287348308 /nfs/dbraw/zinc/34/83/08/287348308.db2.gz PPKRAOAQKSDURO-HZPDHXFCSA-N 2 2 252.446 3.230 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)[nH]1 ZINC000679982889 543671813 /nfs/dbraw/zinc/67/18/13/543671813.db2.gz DEWSCHABIYQECU-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)[nH]1 ZINC000679982889 543671814 /nfs/dbraw/zinc/67/18/14/543671814.db2.gz DEWSCHABIYQECU-MRXNPFEDSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4cnccc43)CC2)[nH]1 ZINC000679983924 543672056 /nfs/dbraw/zinc/67/20/56/543672056.db2.gz FKMSEEFZUUYVLC-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000680336983 543699846 /nfs/dbraw/zinc/69/98/46/543699846.db2.gz IVFAHCHBIYFYQI-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP Cc1cn2c([nH+]1)CN(c1cc[nH+]c3ccc(C)cc31)CC2 ZINC000680625426 543720916 /nfs/dbraw/zinc/72/09/16/543720916.db2.gz ITLANBMTILWIGB-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000681137468 543770084 /nfs/dbraw/zinc/77/00/84/543770084.db2.gz OZGBJURJMNDWGJ-RDJZCZTQSA-N 2 2 272.436 3.365 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000681137468 543770085 /nfs/dbraw/zinc/77/00/85/543770085.db2.gz OZGBJURJMNDWGJ-RDJZCZTQSA-N 2 2 272.436 3.365 20 0 CGADLP Fc1cccc([C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000682029220 543816963 /nfs/dbraw/zinc/81/69/63/543816963.db2.gz NFKBLQHHMCXVED-QGZVFWFLSA-N 2 2 276.399 3.449 20 0 CGADLP Fc1cccc([C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000682029220 543816966 /nfs/dbraw/zinc/81/69/66/543816966.db2.gz NFKBLQHHMCXVED-QGZVFWFLSA-N 2 2 276.399 3.449 20 0 CGADLP Fc1cccc([C@@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000682029218 543817519 /nfs/dbraw/zinc/81/75/19/543817519.db2.gz NFKBLQHHMCXVED-KRWDZBQOSA-N 2 2 276.399 3.449 20 0 CGADLP Fc1cccc([C@@H]2CC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000682029218 543817522 /nfs/dbraw/zinc/81/75/22/543817522.db2.gz NFKBLQHHMCXVED-KRWDZBQOSA-N 2 2 276.399 3.449 20 0 CGADLP Cn1cc[nH+]c1[C@H](Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000681562208 543794864 /nfs/dbraw/zinc/79/48/64/543794864.db2.gz HSQPIFONROVZSW-QGZVFWFLSA-N 2 2 298.434 3.087 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681975446 543812708 /nfs/dbraw/zinc/81/27/08/543812708.db2.gz DMBZUCBLZIWYAG-UFYCRDLUSA-N 2 2 298.474 3.472 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681975446 543812709 /nfs/dbraw/zinc/81/27/09/543812709.db2.gz DMBZUCBLZIWYAG-UFYCRDLUSA-N 2 2 298.474 3.472 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000682373472 543837883 /nfs/dbraw/zinc/83/78/83/543837883.db2.gz QLTYBDBZSMKFFY-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000682373472 543837886 /nfs/dbraw/zinc/83/78/86/543837886.db2.gz QLTYBDBZSMKFFY-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000131022761 287368654 /nfs/dbraw/zinc/36/86/54/287368654.db2.gz QHSMXWALXTVEQG-ZNMIVQPWSA-N 2 2 290.451 3.260 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000131022761 287368657 /nfs/dbraw/zinc/36/86/57/287368657.db2.gz QHSMXWALXTVEQG-ZNMIVQPWSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(O)cc1)[NH+](C)C ZINC000682409568 543843174 /nfs/dbraw/zinc/84/31/74/543843174.db2.gz QNBDJTQRQASRIR-BEFAXECRSA-N 2 2 298.430 3.482 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000683019411 543890414 /nfs/dbraw/zinc/89/04/14/543890414.db2.gz BHGXGMBLOQBVBJ-CXAGYDPISA-N 2 2 287.382 3.361 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000683019411 543890416 /nfs/dbraw/zinc/89/04/16/543890416.db2.gz BHGXGMBLOQBVBJ-CXAGYDPISA-N 2 2 287.382 3.361 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000684362240 543985529 /nfs/dbraw/zinc/98/55/29/543985529.db2.gz NFLCVEUCTBUZOO-SFHVURJKSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000684362240 543985533 /nfs/dbraw/zinc/98/55/33/543985533.db2.gz NFLCVEUCTBUZOO-SFHVURJKSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CO)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000684377827 543988944 /nfs/dbraw/zinc/98/89/44/543988944.db2.gz GHFCIEQYVDOAPX-QFBILLFUSA-N 2 2 298.430 3.077 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000685615804 544089607 /nfs/dbraw/zinc/08/96/07/544089607.db2.gz VFCLLNSWLGZHLS-XKQJLSEDSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000685615804 544089610 /nfs/dbraw/zinc/08/96/10/544089610.db2.gz VFCLLNSWLGZHLS-XKQJLSEDSA-N 2 2 262.441 3.053 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685931594 544109328 /nfs/dbraw/zinc/10/93/28/544109328.db2.gz KVWRPLQQLRFEGX-ZDUSSCGKSA-N 2 2 278.444 3.306 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685931594 544109330 /nfs/dbraw/zinc/10/93/30/544109330.db2.gz KVWRPLQQLRFEGX-ZDUSSCGKSA-N 2 2 278.444 3.306 20 0 CGADLP CC(C)(C)C(F)(F)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658337996 418941835 /nfs/dbraw/zinc/94/18/35/418941835.db2.gz ZWXAHWRWIWHBDW-UHFFFAOYSA-N 2 2 297.393 3.321 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355776 418955983 /nfs/dbraw/zinc/95/59/83/418955983.db2.gz HKGUISMNMJDEJW-UKRRQHHQSA-N 2 2 295.496 3.435 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000652355776 418955986 /nfs/dbraw/zinc/95/59/86/418955986.db2.gz HKGUISMNMJDEJW-UKRRQHHQSA-N 2 2 295.496 3.435 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873978 419024335 /nfs/dbraw/zinc/02/43/35/419024335.db2.gz CTXPVIIPSGXELM-BFYDXBDKSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2CCC[C@@H]2C2CCC2)C1 ZINC000659873978 419024338 /nfs/dbraw/zinc/02/43/38/419024338.db2.gz CTXPVIIPSGXELM-BFYDXBDKSA-N 2 2 264.457 3.229 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000659909558 419032244 /nfs/dbraw/zinc/03/22/44/419032244.db2.gz OCTDLNLIPYCVMI-BDXSIMOUSA-N 2 2 276.468 3.373 20 0 CGADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000659909558 419032248 /nfs/dbraw/zinc/03/22/48/419032248.db2.gz OCTDLNLIPYCVMI-BDXSIMOUSA-N 2 2 276.468 3.373 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833973 419013056 /nfs/dbraw/zinc/01/30/56/419013056.db2.gz VVSXNCOYWLBHTH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833973 419013060 /nfs/dbraw/zinc/01/30/60/419013060.db2.gz VVSXNCOYWLBHTH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833973 419013063 /nfs/dbraw/zinc/01/30/63/419013063.db2.gz VVSXNCOYWLBHTH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833973 419013065 /nfs/dbraw/zinc/01/30/65/419013065.db2.gz VVSXNCOYWLBHTH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)[nH+]c1 ZINC000660149530 419087458 /nfs/dbraw/zinc/08/74/58/419087458.db2.gz ZPPFIIOSUGEFLW-OAGGEKHMSA-N 2 2 285.435 3.394 20 0 CGADLP c1cc(Oc2ccccc2)oc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754126 419087601 /nfs/dbraw/zinc/08/76/01/419087601.db2.gz MAWYJQJHISQYNZ-UHFFFAOYSA-N 2 2 286.375 3.257 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCCC[NH2+]1 ZINC000665237604 419089106 /nfs/dbraw/zinc/08/91/06/419089106.db2.gz FJWPFIQPBFQJJJ-IUODEOHRSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccco1 ZINC000665249927 419092177 /nfs/dbraw/zinc/09/21/77/419092177.db2.gz BRHLZKVZIJVRFQ-FVQBIDKESA-N 2 2 270.376 3.076 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254568 419093339 /nfs/dbraw/zinc/09/33/39/419093339.db2.gz UCWFAIYQJRQINF-BASLNEPJSA-N 2 2 276.399 3.049 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)c1 ZINC000665254416 419094018 /nfs/dbraw/zinc/09/40/18/419094018.db2.gz PUKBVSNUHKRBRK-ULQDDVLXSA-N 2 2 288.410 3.194 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(C)(C)C)cc1 ZINC000665276489 419099672 /nfs/dbraw/zinc/09/96/72/419099672.db2.gz DRBIJKMPMJHDHA-WRSVWVKZSA-N 2 2 272.436 3.387 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277912 419099857 /nfs/dbraw/zinc/09/98/57/419099857.db2.gz PDBFKHAOFBBWLW-MEXZMNCTSA-N 2 2 297.229 3.322 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665276428 419100193 /nfs/dbraw/zinc/10/01/93/419100193.db2.gz CFIBNSADBWVCDP-CDWSIMAYSA-N 2 2 284.325 3.108 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653873864 419100597 /nfs/dbraw/zinc/10/05/97/419100597.db2.gz XBCPBHCWFOOTMM-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653873864 419100605 /nfs/dbraw/zinc/10/06/05/419100605.db2.gz XBCPBHCWFOOTMM-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(Br)c1 ZINC000665293795 419106603 /nfs/dbraw/zinc/10/66/03/419106603.db2.gz CYAOZIDXIOSBDB-GXFFZTMASA-N 2 2 285.229 3.098 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000665294322 419107917 /nfs/dbraw/zinc/10/79/17/419107917.db2.gz MNNVSSAZLYVJQW-UGSOOPFHSA-N 2 2 286.419 3.497 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000665295688 419109029 /nfs/dbraw/zinc/10/90/29/419109029.db2.gz HTHDTZJPBXEENO-KGLIPLIRSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000665295878 419109262 /nfs/dbraw/zinc/10/92/62/419109262.db2.gz KXLQIMDJEBJUCU-NXEZZACHSA-N 2 2 266.772 3.345 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000665296478 419109553 /nfs/dbraw/zinc/10/95/53/419109553.db2.gz SZYFBPYRMPJJNI-PELKAZGASA-N 2 2 273.207 3.178 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000665297745 419110737 /nfs/dbraw/zinc/11/07/37/419110737.db2.gz LBMNYIGGJUTQOL-HZMBPMFUSA-N 2 2 272.795 3.374 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000660257674 419114899 /nfs/dbraw/zinc/11/48/99/419114899.db2.gz VRCGOVASCJAWCX-WFASDCNBSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000660257674 419114904 /nfs/dbraw/zinc/11/49/04/419114904.db2.gz VRCGOVASCJAWCX-WFASDCNBSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000655848778 419119439 /nfs/dbraw/zinc/11/94/39/419119439.db2.gz KFONUTXVNIODBG-RRQGHBQHSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000655848778 419119442 /nfs/dbraw/zinc/11/94/42/419119442.db2.gz KFONUTXVNIODBG-RRQGHBQHSA-N 2 2 274.408 3.060 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660068727 419070961 /nfs/dbraw/zinc/07/09/61/419070961.db2.gz PSTICHFHXWZWFR-OLZOCXBDSA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660068727 419070963 /nfs/dbraw/zinc/07/09/63/419070963.db2.gz PSTICHFHXWZWFR-OLZOCXBDSA-N 2 2 262.388 3.130 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nsc4ccccc34)C2)[nH]1 ZINC000660078620 419073440 /nfs/dbraw/zinc/07/34/40/419073440.db2.gz XCXNDKNXXMTVCM-GFCCVEGCSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nsc4ccccc34)C2)[nH]1 ZINC000660078620 419073444 /nfs/dbraw/zinc/07/34/44/419073444.db2.gz XCXNDKNXXMTVCM-GFCCVEGCSA-N 2 2 298.415 3.399 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655712326 419073469 /nfs/dbraw/zinc/07/34/69/419073469.db2.gz QYMWNXIRMRLFII-SOUVJXGZSA-N 2 2 270.486 3.125 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655712326 419073471 /nfs/dbraw/zinc/07/34/71/419073471.db2.gz QYMWNXIRMRLFII-SOUVJXGZSA-N 2 2 270.486 3.125 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000660096304 419076819 /nfs/dbraw/zinc/07/68/19/419076819.db2.gz ZVLRNMOYPZHBEH-NSHDSACASA-N 2 2 271.355 3.271 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CO2 ZINC000655855754 419124071 /nfs/dbraw/zinc/12/40/71/419124071.db2.gz IGWANPRBQDYTMZ-ROUUACIJSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CO2 ZINC000655855754 419124074 /nfs/dbraw/zinc/12/40/74/419124074.db2.gz IGWANPRBQDYTMZ-ROUUACIJSA-N 2 2 298.430 3.069 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000660110952 419078419 /nfs/dbraw/zinc/07/84/19/419078419.db2.gz MFWJKCDPGHHEEJ-MCIONIFRSA-N 2 2 285.382 3.447 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000660110952 419078421 /nfs/dbraw/zinc/07/84/21/419078421.db2.gz MFWJKCDPGHHEEJ-MCIONIFRSA-N 2 2 285.382 3.447 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655725002 419078531 /nfs/dbraw/zinc/07/85/31/419078531.db2.gz KGCLHDRFWFFZLR-SFHVURJKSA-N 2 2 296.499 3.290 20 0 CGADLP CCc1nc(NCCc2[nH+]cc(C)cc2C)cc(C)[nH+]1 ZINC000656211044 419151181 /nfs/dbraw/zinc/15/11/81/419151181.db2.gz NYOKHGJGXCCVRT-UHFFFAOYSA-N 2 2 270.380 3.014 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c[nH+]1 ZINC000656267996 419161316 /nfs/dbraw/zinc/16/13/16/419161316.db2.gz QSINPKLGGHQHHL-ROUUACIJSA-N 2 2 288.435 3.260 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1Cl)C2 ZINC000660653370 419178025 /nfs/dbraw/zinc/17/80/25/419178025.db2.gz QOESIYZAHSHZSQ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1Cl)C2 ZINC000660653370 419178026 /nfs/dbraw/zinc/17/80/26/419178026.db2.gz QOESIYZAHSHZSQ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000660653370 419178027 /nfs/dbraw/zinc/17/80/27/419178027.db2.gz QOESIYZAHSHZSQ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000660653370 419178030 /nfs/dbraw/zinc/17/80/30/419178030.db2.gz QOESIYZAHSHZSQ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657291698 419243711 /nfs/dbraw/zinc/24/37/11/419243711.db2.gz UTARHCMFGDPNPN-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(F)ccc1F ZINC000657372180 419262762 /nfs/dbraw/zinc/26/27/62/419262762.db2.gz COJJQVJBSVDEOA-HNNXBMFYSA-N 2 2 291.345 3.348 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675206 419197982 /nfs/dbraw/zinc/19/79/82/419197982.db2.gz AOMSXQQMCZQZNP-WCQYABFASA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675206 419197985 /nfs/dbraw/zinc/19/79/85/419197985.db2.gz AOMSXQQMCZQZNP-WCQYABFASA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228470 419199936 /nfs/dbraw/zinc/19/99/36/419199936.db2.gz RMCVLMJBMBBJQY-WMHQRMGPSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228470 419199938 /nfs/dbraw/zinc/19/99/38/419199938.db2.gz RMCVLMJBMBBJQY-WMHQRMGPSA-N 2 2 294.389 3.283 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000660826985 419202387 /nfs/dbraw/zinc/20/23/87/419202387.db2.gz VWNWNNKFHIDLCH-CYBMUJFWSA-N 2 2 276.415 3.474 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000660826985 419202388 /nfs/dbraw/zinc/20/23/88/419202388.db2.gz VWNWNNKFHIDLCH-CYBMUJFWSA-N 2 2 276.415 3.474 20 0 CGADLP C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000656783067 419218396 /nfs/dbraw/zinc/21/83/96/419218396.db2.gz NQKPBNHWMYPCSN-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000656783067 419218399 /nfs/dbraw/zinc/21/83/99/419218399.db2.gz NQKPBNHWMYPCSN-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc21 ZINC000657390432 419268265 /nfs/dbraw/zinc/26/82/65/419268265.db2.gz XVHNIJZTJOAOST-HIFRSBDPSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc21 ZINC000657390432 419268267 /nfs/dbraw/zinc/26/82/67/419268267.db2.gz XVHNIJZTJOAOST-HIFRSBDPSA-N 2 2 283.419 3.191 20 0 CGADLP C[N@H+](Cc1cnc[nH]1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661092144 419226869 /nfs/dbraw/zinc/22/68/69/419226869.db2.gz HIOWJRFMALXJID-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@@H+](Cc1cnc[nH]1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661092144 419226872 /nfs/dbraw/zinc/22/68/72/419226872.db2.gz HIOWJRFMALXJID-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@H+](Cc1c[nH]cn1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661092144 419226875 /nfs/dbraw/zinc/22/68/75/419226875.db2.gz HIOWJRFMALXJID-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@@H+](Cc1c[nH]cn1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000661092144 419226877 /nfs/dbraw/zinc/22/68/77/419226877.db2.gz HIOWJRFMALXJID-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000661131382 419233029 /nfs/dbraw/zinc/23/30/29/419233029.db2.gz AUUICZQDTDWJCZ-MRXNPFEDSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000661131382 419233030 /nfs/dbraw/zinc/23/30/30/419233030.db2.gz AUUICZQDTDWJCZ-MRXNPFEDSA-N 2 2 269.392 3.337 20 0 CGADLP CC(C)(C)[N@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC000661135716 419234149 /nfs/dbraw/zinc/23/41/49/419234149.db2.gz JPVHDAHVQVYPEW-UHFFFAOYSA-N 2 2 263.410 3.245 20 0 CGADLP CC(C)(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC000661135716 419234152 /nfs/dbraw/zinc/23/41/52/419234152.db2.gz JPVHDAHVQVYPEW-UHFFFAOYSA-N 2 2 263.410 3.245 20 0 CGADLP Fc1ccc(CC2(C[NH2+]Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000657423873 419274885 /nfs/dbraw/zinc/27/48/85/419274885.db2.gz ODZZLDBZHDROCY-UHFFFAOYSA-N 2 2 299.393 3.081 20 0 CGADLP CCSc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657471686 419285941 /nfs/dbraw/zinc/28/59/41/419285941.db2.gz CWAHLNUSWYEDPR-UHFFFAOYSA-N 2 2 287.432 3.231 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000657470486 419286439 /nfs/dbraw/zinc/28/64/39/419286439.db2.gz SCVACKDXDKGENU-MGPQQGTHSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000657470486 419286441 /nfs/dbraw/zinc/28/64/41/419286441.db2.gz SCVACKDXDKGENU-MGPQQGTHSA-N 2 2 261.413 3.216 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000657526894 419298644 /nfs/dbraw/zinc/29/86/44/419298644.db2.gz OUQBTMDPUHGPKP-ZRUQZJFASA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000657526894 419298646 /nfs/dbraw/zinc/29/86/46/419298646.db2.gz OUQBTMDPUHGPKP-ZRUQZJFASA-N 2 2 294.389 3.440 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CC[C@H](C)C2(C)C)n1C ZINC000657590482 419311972 /nfs/dbraw/zinc/31/19/72/419311972.db2.gz ZDOUEXQHFWRNMV-LRDDRELGSA-N 2 2 263.429 3.281 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661517598 419269709 /nfs/dbraw/zinc/26/97/09/419269709.db2.gz PFTYRXQZHFRJIN-KBXCAEBGSA-N 2 2 266.388 3.251 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC000657678461 419326738 /nfs/dbraw/zinc/32/67/38/419326738.db2.gz QTVXNWIUJIJKQO-QLFBSQMISA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC000657678461 419326740 /nfs/dbraw/zinc/32/67/40/419326740.db2.gz QTVXNWIUJIJKQO-QLFBSQMISA-N 2 2 282.497 3.267 20 0 CGADLP CC[C@](C)([NH2+]Cc1c[nH+]c2c(C)cccn12)C1CC1 ZINC000657687605 419328599 /nfs/dbraw/zinc/32/85/99/419328599.db2.gz IXTSDTIAGZRPLH-INIZCTEOSA-N 2 2 257.381 3.311 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657741092 419334811 /nfs/dbraw/zinc/33/48/11/419334811.db2.gz CEZNXCBAEXIHOQ-RUXDESIVSA-N 2 2 292.389 3.429 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657741092 419334813 /nfs/dbraw/zinc/33/48/13/419334813.db2.gz CEZNXCBAEXIHOQ-RUXDESIVSA-N 2 2 292.389 3.429 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000657742107 419335446 /nfs/dbraw/zinc/33/54/46/419335446.db2.gz NAIPPAJOWZTYFE-MLRPBERTSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000657742107 419335448 /nfs/dbraw/zinc/33/54/48/419335448.db2.gz NAIPPAJOWZTYFE-MLRPBERTSA-N 2 2 258.409 3.164 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2=CCCC2)CC1 ZINC000657749873 419336683 /nfs/dbraw/zinc/33/66/83/419336683.db2.gz RLYHPIZCAJTLIF-UHFFFAOYSA-N 2 2 276.346 3.103 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(CC(C)C)CC3)n2c1 ZINC000657774772 419343022 /nfs/dbraw/zinc/34/30/22/419343022.db2.gz KOJNUDRLWAKHNH-UHFFFAOYSA-N 2 2 257.381 3.311 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783471 419348004 /nfs/dbraw/zinc/34/80/04/419348004.db2.gz SVDXTDZBQZKFKM-VQIMIIECSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783471 419348009 /nfs/dbraw/zinc/34/80/09/419348009.db2.gz SVDXTDZBQZKFKM-VQIMIIECSA-N 2 2 298.430 3.322 20 0 CGADLP CCOC1CCC([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000657859457 419391614 /nfs/dbraw/zinc/39/16/14/419391614.db2.gz VDZTXIDTLNFVKX-KLAILNCOSA-N 2 2 282.472 3.044 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000657859726 419392057 /nfs/dbraw/zinc/39/20/57/419392057.db2.gz XGSKZDAOKWNKKK-WBVHZDCISA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccncc2s1 ZINC000657983114 419479174 /nfs/dbraw/zinc/47/91/74/419479174.db2.gz ZPLXWLBXGQPCOO-YPMHNXCESA-N 2 2 298.415 3.158 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C(F)F)nc1 ZINC000657906145 419432413 /nfs/dbraw/zinc/43/24/13/419432413.db2.gz WGEGCXGDNROXRA-ZIBATOQPSA-N 2 2 295.377 3.153 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C(F)F)nc1 ZINC000657906145 419432416 /nfs/dbraw/zinc/43/24/16/419432416.db2.gz WGEGCXGDNROXRA-ZIBATOQPSA-N 2 2 295.377 3.153 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055103 419523326 /nfs/dbraw/zinc/52/33/26/419523326.db2.gz LYQUFASOISIRRC-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055103 419523333 /nfs/dbraw/zinc/52/33/33/419523333.db2.gz LYQUFASOISIRRC-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000658064348 419539147 /nfs/dbraw/zinc/53/91/47/419539147.db2.gz ZNJBWMITYWUNER-CVEARBPZSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000658064348 419539153 /nfs/dbraw/zinc/53/91/53/419539153.db2.gz ZNJBWMITYWUNER-CVEARBPZSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)c1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000663313444 419548157 /nfs/dbraw/zinc/54/81/57/419548157.db2.gz BHITWGZKYDDFNX-UHFFFAOYSA-N 2 2 257.381 3.186 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658091038 419563204 /nfs/dbraw/zinc/56/32/04/419563204.db2.gz KHJAPRUWUQRQBQ-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658091038 419563213 /nfs/dbraw/zinc/56/32/13/419563213.db2.gz KHJAPRUWUQRQBQ-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000663508385 419641021 /nfs/dbraw/zinc/64/10/21/419641021.db2.gz OVSRFJCLTOLXMK-MRVPVSSYSA-N 2 2 280.721 3.056 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000658283130 419730712 /nfs/dbraw/zinc/73/07/12/419730712.db2.gz ALZVKOSMUNWYJT-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000658283130 419730720 /nfs/dbraw/zinc/73/07/20/419730720.db2.gz ALZVKOSMUNWYJT-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288620 419737763 /nfs/dbraw/zinc/73/77/63/419737763.db2.gz WOVZXQRCSSMMOS-ZFWWWQNUSA-N 2 2 293.430 3.027 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288620 419737768 /nfs/dbraw/zinc/73/77/68/419737768.db2.gz WOVZXQRCSSMMOS-ZFWWWQNUSA-N 2 2 293.430 3.027 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294212 419741529 /nfs/dbraw/zinc/74/15/29/419741529.db2.gz MIZOPPYZUGFZRQ-BQFCYCMXSA-N 2 2 296.499 3.290 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc2C1 ZINC000179453525 260048593 /nfs/dbraw/zinc/04/85/93/260048593.db2.gz HVCNNUYBFUMIKT-GOSISDBHSA-N 2 2 283.419 3.153 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc2C1 ZINC000179453525 260048595 /nfs/dbraw/zinc/04/85/95/260048595.db2.gz HVCNNUYBFUMIKT-GOSISDBHSA-N 2 2 283.419 3.153 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000318344148 261054346 /nfs/dbraw/zinc/05/43/46/261054346.db2.gz ZPYSSINPECWGNL-PKOBYXMFSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000318344148 261054347 /nfs/dbraw/zinc/05/43/47/261054347.db2.gz ZPYSSINPECWGNL-PKOBYXMFSA-N 2 2 296.414 3.032 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000394507388 261189663 /nfs/dbraw/zinc/18/96/63/261189663.db2.gz LLYSLXAWKYJOFU-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000394507388 261189664 /nfs/dbraw/zinc/18/96/64/261189664.db2.gz LLYSLXAWKYJOFU-DAWZGUTISA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020305987 262244909 /nfs/dbraw/zinc/24/49/09/262244909.db2.gz RAPMHUSOGITUMF-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020545175 262249399 /nfs/dbraw/zinc/24/93/99/262249399.db2.gz FSQULIZFSFDOHU-INIZCTEOSA-N 2 2 290.451 3.468 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685345 270037479 /nfs/dbraw/zinc/03/74/79/270037479.db2.gz QCOCTAQRALNEBV-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP CCCC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685345 270037480 /nfs/dbraw/zinc/03/74/80/270037480.db2.gz QCOCTAQRALNEBV-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000045105615 270038016 /nfs/dbraw/zinc/03/80/16/270038016.db2.gz CCQBPOISCWECRF-CYBMUJFWSA-N 2 2 291.370 3.162 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000045105565 270038142 /nfs/dbraw/zinc/03/81/42/270038142.db2.gz XIMAXNAHASEPLX-ZDUSSCGKSA-N 2 2 261.344 3.153 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094423 270038236 /nfs/dbraw/zinc/03/82/36/270038236.db2.gz SOHYRJKVYHHACB-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000186081874 270064753 /nfs/dbraw/zinc/06/47/53/270064753.db2.gz ZRFNYURRVSEPPX-INIZCTEOSA-N 2 2 269.392 3.167 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186880434 270067348 /nfs/dbraw/zinc/06/73/48/270067348.db2.gz REKVSHACDWNSEY-WMLDXEAASA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186880434 270067349 /nfs/dbraw/zinc/06/73/49/270067349.db2.gz REKVSHACDWNSEY-WMLDXEAASA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000321957087 270093315 /nfs/dbraw/zinc/09/33/15/270093315.db2.gz XZIBUAZAWPVGDT-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000321957087 270093316 /nfs/dbraw/zinc/09/33/16/270093316.db2.gz XZIBUAZAWPVGDT-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000250394449 270091399 /nfs/dbraw/zinc/09/13/99/270091399.db2.gz YLPIVZAUKAWSAF-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000250394449 270091400 /nfs/dbraw/zinc/09/14/00/270091400.db2.gz YLPIVZAUKAWSAF-DOMZBBRYSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000322500154 270093698 /nfs/dbraw/zinc/09/36/98/270093698.db2.gz FURCLOGCGCVNNV-RHSMWYFYSA-N 2 2 287.407 3.338 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000527695340 270132039 /nfs/dbraw/zinc/13/20/39/270132039.db2.gz BGXCQZKAOPTPJO-VQIMIIECSA-N 2 2 297.446 3.479 20 0 CGADLP FC1(F)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527812015 270138069 /nfs/dbraw/zinc/13/80/69/270138069.db2.gz SVGOMMPRXDWCDW-CQSZACIVSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527812015 270138070 /nfs/dbraw/zinc/13/80/70/270138070.db2.gz SVGOMMPRXDWCDW-CQSZACIVSA-N 2 2 272.383 3.171 20 0 CGADLP c1ccc2c(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccnc2c1 ZINC000527810034 270137605 /nfs/dbraw/zinc/13/76/05/270137605.db2.gz TXXGILSFEREKOW-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccnc2c1 ZINC000527810034 270137606 /nfs/dbraw/zinc/13/76/06/270137606.db2.gz TXXGILSFEREKOW-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527808941 270137702 /nfs/dbraw/zinc/13/77/02/270137702.db2.gz RKRBAAQFQQAZEE-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527808941 270137703 /nfs/dbraw/zinc/13/77/03/270137703.db2.gz RKRBAAQFQQAZEE-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527813499 270137902 /nfs/dbraw/zinc/13/79/02/270137902.db2.gz XBVXBVUGXRJSOZ-WDSOQIARSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527813499 270137903 /nfs/dbraw/zinc/13/79/03/270137903.db2.gz XBVXBVUGXRJSOZ-WDSOQIARSA-N 2 2 284.447 3.397 20 0 CGADLP c1c[nH+]c(C2CCN(c3[nH+]ccc4ccccc43)CC2)[nH]1 ZINC000527868926 270140913 /nfs/dbraw/zinc/14/09/13/270140913.db2.gz YHAWQWOHZNQRTQ-UHFFFAOYSA-N 2 2 278.359 3.342 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527877466 270141306 /nfs/dbraw/zinc/14/13/06/270141306.db2.gz ZUFYFMBAXNJKKQ-HDMKZQKVSA-N 2 2 299.462 3.385 20 0 CGADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527945470 270146018 /nfs/dbraw/zinc/14/60/18/270146018.db2.gz GMLVPKYDOYFQPF-INIZCTEOSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527945470 270146019 /nfs/dbraw/zinc/14/60/19/270146019.db2.gz GMLVPKYDOYFQPF-INIZCTEOSA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527946950 270146026 /nfs/dbraw/zinc/14/60/26/270146026.db2.gz IZVUCFICKIQAIX-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527946950 270146027 /nfs/dbraw/zinc/14/60/27/270146027.db2.gz IZVUCFICKIQAIX-JKSUJKDBSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccs1 ZINC000528008534 270151189 /nfs/dbraw/zinc/15/11/89/270151189.db2.gz FKGGEULHNKHGBU-JSGCOSHPSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccs1 ZINC000528008534 270151190 /nfs/dbraw/zinc/15/11/90/270151190.db2.gz FKGGEULHNKHGBU-JSGCOSHPSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528771428 270172671 /nfs/dbraw/zinc/17/26/71/270172671.db2.gz URAKCMPEMCCQAY-ZDUSSCGKSA-N 2 2 291.345 3.492 20 0 CGADLP C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000528771428 270172672 /nfs/dbraw/zinc/17/26/72/270172672.db2.gz URAKCMPEMCCQAY-ZDUSSCGKSA-N 2 2 291.345 3.492 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000529670103 270187626 /nfs/dbraw/zinc/18/76/26/270187626.db2.gz RBXSRDIGRGOBOT-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC000529670103 270187627 /nfs/dbraw/zinc/18/76/27/270187627.db2.gz RBXSRDIGRGOBOT-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000530218935 270196118 /nfs/dbraw/zinc/19/61/18/270196118.db2.gz KGDSQQHURKFAQV-GOEBONIOSA-N 2 2 258.409 3.239 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cnc2ccsc2c1 ZINC000530219631 270196183 /nfs/dbraw/zinc/19/61/83/270196183.db2.gz MDJOHYRJWODKHI-ABAIWWIYSA-N 2 2 287.432 3.232 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507294 270216607 /nfs/dbraw/zinc/21/66/07/270216607.db2.gz OGVORVVQAUNYMR-WBVHZDCISA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507294 270216608 /nfs/dbraw/zinc/21/66/08/270216608.db2.gz OGVORVVQAUNYMR-WBVHZDCISA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565330 270217493 /nfs/dbraw/zinc/21/74/93/270217493.db2.gz AOGKKOMGFDVTCC-ZBFHGGJFSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565330 270217494 /nfs/dbraw/zinc/21/74/94/270217494.db2.gz AOGKKOMGFDVTCC-ZBFHGGJFSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000225992212 273498346 /nfs/dbraw/zinc/49/83/46/273498346.db2.gz HHWJOPOCFBLYQG-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000178804014 273510980 /nfs/dbraw/zinc/51/09/80/273510980.db2.gz VFETULGOGLOZTD-UHFFFAOYSA-N 2 2 286.423 3.106 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423067047 274147544 /nfs/dbraw/zinc/14/75/44/274147544.db2.gz GANFMJJAHFWRDD-JTQLQIEISA-N 2 2 291.782 3.007 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000268808348 274233109 /nfs/dbraw/zinc/23/31/09/274233109.db2.gz JXHYUIBGZKTQBU-XJKSGUPXSA-N 2 2 269.392 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)[C@H]1CCC[NH2+]1 ZINC000422943220 274262765 /nfs/dbraw/zinc/26/27/65/274262765.db2.gz XSNBXHIWAZCOPB-KMUNFCNLSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)s1 ZINC000423561655 274721880 /nfs/dbraw/zinc/72/18/80/274721880.db2.gz PVKKZKKPWOOKDJ-DGCLKSJQSA-N 2 2 252.427 3.158 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc(O)c1)[NH+](C)C ZINC000442986352 274811240 /nfs/dbraw/zinc/81/12/40/274811240.db2.gz BUQAXJZFWJEYPX-KXBFYZLASA-N 2 2 298.430 3.482 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565817 275069013 /nfs/dbraw/zinc/06/90/13/275069013.db2.gz LOVFVGHYQOITCW-GUYCJALGSA-N 2 2 296.418 3.016 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565817 275069014 /nfs/dbraw/zinc/06/90/14/275069014.db2.gz LOVFVGHYQOITCW-GUYCJALGSA-N 2 2 296.418 3.016 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000161592309 275391192 /nfs/dbraw/zinc/39/11/92/275391192.db2.gz SRMRKNVFKBUQMB-UHFFFAOYSA-N 2 2 294.483 3.288 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000161592309 275391193 /nfs/dbraw/zinc/39/11/93/275391193.db2.gz SRMRKNVFKBUQMB-UHFFFAOYSA-N 2 2 294.483 3.288 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000423232986 275749797 /nfs/dbraw/zinc/74/97/97/275749797.db2.gz CZHFCOFEGCYWKD-DLTLXFJOSA-N 2 2 260.425 3.444 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423309709 276017603 /nfs/dbraw/zinc/01/76/03/276017603.db2.gz LVCQDLIBPHDMEL-WBMJQRKESA-N 2 2 264.388 3.038 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037213873 276174850 /nfs/dbraw/zinc/17/48/50/276174850.db2.gz SRDHUSCXRNHJKN-IUODEOHRSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037213873 276174851 /nfs/dbraw/zinc/17/48/51/276174851.db2.gz SRDHUSCXRNHJKN-IUODEOHRSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000250223977 276175443 /nfs/dbraw/zinc/17/54/43/276175443.db2.gz FEGKFYLQSDPOGV-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000250223977 276175445 /nfs/dbraw/zinc/17/54/45/276175445.db2.gz FEGKFYLQSDPOGV-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000250234483 276175543 /nfs/dbraw/zinc/17/55/43/276175543.db2.gz GNZSIOXYHCJOBC-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000250234483 276175544 /nfs/dbraw/zinc/17/55/44/276175544.db2.gz GNZSIOXYHCJOBC-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000479435795 276181221 /nfs/dbraw/zinc/18/12/21/276181221.db2.gz HDMBDYQLHWMZAV-ABFRBSLYSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000479435795 276181223 /nfs/dbraw/zinc/18/12/23/276181223.db2.gz HDMBDYQLHWMZAV-ABFRBSLYSA-N 2 2 262.441 3.051 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019960832 276187210 /nfs/dbraw/zinc/18/72/10/276187210.db2.gz WNQKTZAPXNKFAD-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019960832 276187211 /nfs/dbraw/zinc/18/72/11/276187211.db2.gz WNQKTZAPXNKFAD-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423233180 276266595 /nfs/dbraw/zinc/26/65/95/276266595.db2.gz JJSZYXUCMRLUAE-MRXNPFEDSA-N 2 2 271.408 3.053 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260778 276272045 /nfs/dbraw/zinc/27/20/45/276272045.db2.gz XRTHQLFXQCLFFW-HUUCEWRRSA-N 2 2 261.413 3.146 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000484501401 276284164 /nfs/dbraw/zinc/28/41/64/276284164.db2.gz DTBBSJYYGYRPKM-LQKXBSAESA-N 2 2 252.446 3.274 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000484501401 276284166 /nfs/dbraw/zinc/28/41/66/276284166.db2.gz DTBBSJYYGYRPKM-LQKXBSAESA-N 2 2 252.446 3.274 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328736 276369468 /nfs/dbraw/zinc/36/94/68/276369468.db2.gz DVPYAAAKGWVJAZ-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328736 276369469 /nfs/dbraw/zinc/36/94/69/276369469.db2.gz DVPYAAAKGWVJAZ-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125029021 287888940 /nfs/dbraw/zinc/88/89/40/287888940.db2.gz DKGYXCSPQBZXIC-QZTJIDSGSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)[C@H]1CCOC1 ZINC000423246143 276636584 /nfs/dbraw/zinc/63/65/84/276636584.db2.gz PMAZKKXJMRJJQW-KSZLIROESA-N 2 2 290.451 3.215 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2c(F)cc(F)cc2C1 ZINC000361689915 277046628 /nfs/dbraw/zinc/04/66/28/277046628.db2.gz SUFXHGOBANUUSX-HNNXBMFYSA-N 2 2 294.389 3.197 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2c(F)cc(F)cc2C1 ZINC000361689915 277046630 /nfs/dbraw/zinc/04/66/30/277046630.db2.gz SUFXHGOBANUUSX-HNNXBMFYSA-N 2 2 294.389 3.197 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361689915 277046631 /nfs/dbraw/zinc/04/66/31/277046631.db2.gz SUFXHGOBANUUSX-HNNXBMFYSA-N 2 2 294.389 3.197 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361689915 277046632 /nfs/dbraw/zinc/04/66/32/277046632.db2.gz SUFXHGOBANUUSX-HNNXBMFYSA-N 2 2 294.389 3.197 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)cc(Cl)cc1C ZINC000346693212 277285618 /nfs/dbraw/zinc/28/56/18/277285618.db2.gz LMQSFWZYIMEMMZ-CQSZACIVSA-N 2 2 266.816 3.141 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)cc(Cl)cc1C ZINC000346693212 277285619 /nfs/dbraw/zinc/28/56/19/277285619.db2.gz LMQSFWZYIMEMMZ-CQSZACIVSA-N 2 2 266.816 3.141 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367439482 277983204 /nfs/dbraw/zinc/98/32/04/277983204.db2.gz UXOSCWCCUQJDCX-KRWDZBQOSA-N 2 2 297.402 3.005 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000395178864 288006801 /nfs/dbraw/zinc/00/68/01/288006801.db2.gz MCBWJKCKHACYND-AWEZNQCLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000395178864 288006802 /nfs/dbraw/zinc/00/68/02/288006802.db2.gz MCBWJKCKHACYND-AWEZNQCLSA-N 2 2 260.425 3.285 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000395195506 288007147 /nfs/dbraw/zinc/00/71/47/288007147.db2.gz CFCYIIRVVYGNFJ-OAHLLOKOSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000395195506 288007149 /nfs/dbraw/zinc/00/71/49/288007149.db2.gz CFCYIIRVVYGNFJ-OAHLLOKOSA-N 2 2 258.409 3.039 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423096684 278177378 /nfs/dbraw/zinc/17/73/78/278177378.db2.gz IBMMWKVWCSTIHP-OBJOEFQTSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000482715126 278255854 /nfs/dbraw/zinc/25/58/54/278255854.db2.gz QUMBQPMNGRVJDO-HNNXBMFYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000482715126 278255856 /nfs/dbraw/zinc/25/58/56/278255856.db2.gz QUMBQPMNGRVJDO-HNNXBMFYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC1(C)C ZINC000486950587 278263487 /nfs/dbraw/zinc/26/34/87/278263487.db2.gz MAKUBYWRNDZFCN-XIRDDKMYSA-N 2 2 274.452 3.184 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000346812055 278271308 /nfs/dbraw/zinc/27/13/08/278271308.db2.gz WANGVXVNZUAPLO-PMUMKWKESA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000346812055 278271309 /nfs/dbraw/zinc/27/13/09/278271309.db2.gz WANGVXVNZUAPLO-PMUMKWKESA-N 2 2 272.436 3.309 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)[N@H+](C)C1CC1 ZINC000352752402 278282449 /nfs/dbraw/zinc/28/24/49/278282449.db2.gz AAMRRCPDUXMGLZ-MVZIDQBPSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)[N@@H+](C)C1CC1 ZINC000352752402 278282452 /nfs/dbraw/zinc/28/24/52/278282452.db2.gz AAMRRCPDUXMGLZ-MVZIDQBPSA-N 2 2 280.362 3.050 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397872986 288033486 /nfs/dbraw/zinc/03/34/86/288033486.db2.gz ISYBWTVHGSMWCW-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397872986 288033487 /nfs/dbraw/zinc/03/34/87/288033487.db2.gz ISYBWTVHGSMWCW-LZLYRXPVSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Cl)cn1 ZINC000423187559 278340499 /nfs/dbraw/zinc/34/04/99/278340499.db2.gz YEQZFMAQYKPPNF-LLVKDONJSA-N 2 2 267.804 3.047 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422926187 278386336 /nfs/dbraw/zinc/38/63/36/278386336.db2.gz CRKHRPWKYZVRHO-YUELXQCFSA-N 2 2 276.449 3.344 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191557 278388003 /nfs/dbraw/zinc/38/80/03/278388003.db2.gz IQPZQWMMPRECSC-SCZZXKLOSA-N 2 2 295.308 3.035 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191557 278388004 /nfs/dbraw/zinc/38/80/04/278388004.db2.gz IQPZQWMMPRECSC-SCZZXKLOSA-N 2 2 295.308 3.035 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CCCCC1 ZINC000480090897 288045397 /nfs/dbraw/zinc/04/53/97/288045397.db2.gz VJIRVLWLSQRRRZ-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CCCCC1 ZINC000480090897 288045399 /nfs/dbraw/zinc/04/53/99/288045399.db2.gz VJIRVLWLSQRRRZ-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436688 278511011 /nfs/dbraw/zinc/51/10/11/278511011.db2.gz HBKJECORIAGFKL-VIKVFOODSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000474882683 279027067 /nfs/dbraw/zinc/02/70/67/279027067.db2.gz MNPBJHJYFDKMFN-BZSNNMDCSA-N 2 2 296.499 3.292 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859992 279037059 /nfs/dbraw/zinc/03/70/59/279037059.db2.gz ZKKLGBZLTQZLEQ-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859992 279037061 /nfs/dbraw/zinc/03/70/61/279037061.db2.gz ZKKLGBZLTQZLEQ-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859992 279037062 /nfs/dbraw/zinc/03/70/62/279037062.db2.gz ZKKLGBZLTQZLEQ-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000072859992 279037064 /nfs/dbraw/zinc/03/70/64/279037064.db2.gz ZKKLGBZLTQZLEQ-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000292871065 279072007 /nfs/dbraw/zinc/07/20/07/279072007.db2.gz SLTMLYXLANRCGI-RHSMWYFYSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000292871065 279072010 /nfs/dbraw/zinc/07/20/10/279072010.db2.gz SLTMLYXLANRCGI-RHSMWYFYSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000292871065 279072011 /nfs/dbraw/zinc/07/20/11/279072011.db2.gz SLTMLYXLANRCGI-RHSMWYFYSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000292871065 279072012 /nfs/dbraw/zinc/07/20/12/279072012.db2.gz SLTMLYXLANRCGI-RHSMWYFYSA-N 2 2 289.467 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344328573 279093019 /nfs/dbraw/zinc/09/30/19/279093019.db2.gz QTWVQSDDPKBKLF-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@H+]1C ZINC000344328573 279093020 /nfs/dbraw/zinc/09/30/20/279093020.db2.gz QTWVQSDDPKBKLF-RISCZKNCSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CCC[N@@H+]1C ZINC000349701381 279093626 /nfs/dbraw/zinc/09/36/26/279093626.db2.gz WTVZBENZVBHTRQ-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)CCC[N@H+]1C ZINC000349701381 279093627 /nfs/dbraw/zinc/09/36/27/279093627.db2.gz WTVZBENZVBHTRQ-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085127863 279107911 /nfs/dbraw/zinc/10/79/11/279107911.db2.gz BTRMJVRQMUZKQO-RYUDHWBXSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@@]1(F)CCC[N@H+](CCC[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451115213 279164707 /nfs/dbraw/zinc/16/47/07/279164707.db2.gz NQBKBGDWUNSMNL-GASCZTMLSA-N 2 2 274.399 3.025 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](CCC[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451115213 279164713 /nfs/dbraw/zinc/16/47/13/279164713.db2.gz NQBKBGDWUNSMNL-GASCZTMLSA-N 2 2 274.399 3.025 20 0 CGADLP C[C@@]1(F)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451115213 279164717 /nfs/dbraw/zinc/16/47/17/279164717.db2.gz NQBKBGDWUNSMNL-GASCZTMLSA-N 2 2 274.399 3.025 20 0 CGADLP C[C@@]1(F)CCC[NH+](CCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451115213 279164720 /nfs/dbraw/zinc/16/47/20/279164720.db2.gz NQBKBGDWUNSMNL-GASCZTMLSA-N 2 2 274.399 3.025 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000414755588 279179257 /nfs/dbraw/zinc/17/92/57/279179257.db2.gz HQFJCJKHYUIGDC-SRVKXCTJSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000414755588 279179259 /nfs/dbraw/zinc/17/92/59/279179259.db2.gz HQFJCJKHYUIGDC-SRVKXCTJSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000358308023 279196077 /nfs/dbraw/zinc/19/60/77/279196077.db2.gz XOXNSEOBOKYEHL-ZOBUZTSGSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000358308023 279196079 /nfs/dbraw/zinc/19/60/79/279196079.db2.gz XOXNSEOBOKYEHL-ZOBUZTSGSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423333222 279297916 /nfs/dbraw/zinc/29/79/16/279297916.db2.gz RFHWAFONEOASOQ-BXKDBHETSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cc(F)cc(F)c1 ZINC000449236313 279352475 /nfs/dbraw/zinc/35/24/75/279352475.db2.gz XQEIGHMXIOQTAA-WQGACYEGSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cc(F)cc(F)c1 ZINC000449236313 279352477 /nfs/dbraw/zinc/35/24/77/279352477.db2.gz XQEIGHMXIOQTAA-WQGACYEGSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336415155 279550373 /nfs/dbraw/zinc/55/03/73/279550373.db2.gz ZSURHGDNFIVDPO-AAEUAGOBSA-N 2 2 283.366 3.002 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430953349 288154555 /nfs/dbraw/zinc/15/45/55/288154555.db2.gz GUWFYJCEXYTZLA-VCTAVGKDSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430953349 288154558 /nfs/dbraw/zinc/15/45/58/288154558.db2.gz GUWFYJCEXYTZLA-VCTAVGKDSA-N 2 2 268.351 3.085 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000527235537 288159706 /nfs/dbraw/zinc/15/97/06/288159706.db2.gz HSNFMJUKDTXYSP-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000527235537 288159708 /nfs/dbraw/zinc/15/97/08/288159708.db2.gz HSNFMJUKDTXYSP-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096500 280222681 /nfs/dbraw/zinc/22/26/81/280222681.db2.gz HQFHLWOBNZKYJT-DOTOQJQBSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232208 281026724 /nfs/dbraw/zinc/02/67/24/281026724.db2.gz HUYSAOJKXLDDJC-GUYCJALGSA-N 2 2 283.419 3.195 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@]4(CC[N@@H+](C)C4)C3)[nH+]c2c1 ZINC000488712453 281043086 /nfs/dbraw/zinc/04/30/86/281043086.db2.gz JVGWKRNHJQJGCZ-IBGZPJMESA-N 2 2 295.430 3.384 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@]4(CC[N@H+](C)C4)C3)[nH+]c2c1 ZINC000488712453 281043088 /nfs/dbraw/zinc/04/30/88/281043088.db2.gz JVGWKRNHJQJGCZ-IBGZPJMESA-N 2 2 295.430 3.384 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CCC2 ZINC000339068185 281117941 /nfs/dbraw/zinc/11/79/41/281117941.db2.gz MCMXBRGVMKQZBC-RDTXWAMCSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CCC2 ZINC000339068185 281117945 /nfs/dbraw/zinc/11/79/45/281117945.db2.gz MCMXBRGVMKQZBC-RDTXWAMCSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000357678837 281248333 /nfs/dbraw/zinc/24/83/33/281248333.db2.gz GBEYZCGRCYHCRY-RHSMWYFYSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000443013637 281389149 /nfs/dbraw/zinc/38/91/49/281389149.db2.gz LWWRNRIFUAJEJR-YJBOKZPZSA-N 2 2 285.435 3.115 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000268293366 281469925 /nfs/dbraw/zinc/46/99/25/281469925.db2.gz FDZQLUFDHBHTAE-HNNXBMFYSA-N 2 2 255.365 3.105 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)CCC2 ZINC000453127811 281551235 /nfs/dbraw/zinc/55/12/35/281551235.db2.gz WAOBWDNNUYENPG-JKSUJKDBSA-N 2 2 273.424 3.237 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532192821 288354104 /nfs/dbraw/zinc/35/41/04/288354104.db2.gz UIVSFBLEAGKERG-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532192821 288354106 /nfs/dbraw/zinc/35/41/06/288354106.db2.gz UIVSFBLEAGKERG-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532192824 288354209 /nfs/dbraw/zinc/35/42/09/288354209.db2.gz UIVSFBLEAGKERG-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000532192824 288354210 /nfs/dbraw/zinc/35/42/10/288354210.db2.gz UIVSFBLEAGKERG-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000310970941 282016532 /nfs/dbraw/zinc/01/65/32/282016532.db2.gz ICJJKYJVOHNTFF-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423390120 282034762 /nfs/dbraw/zinc/03/47/62/282034762.db2.gz OGEMTMXAADGPOL-GXTWGEPZSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1ccc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2c1 ZINC000546888900 288942645 /nfs/dbraw/zinc/94/26/45/288942645.db2.gz XBKCXVIUMHPCEV-UHFFFAOYSA-N 2 2 280.375 3.054 20 0 CGADLP COCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccco1 ZINC000423050206 292710872 /nfs/dbraw/zinc/71/08/72/292710872.db2.gz YJKXMPYNCODZAR-HRCADAONSA-N 2 2 286.375 3.092 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550648250 289080239 /nfs/dbraw/zinc/08/02/39/289080239.db2.gz ZVGSCYDRFNBGDU-CVEARBPZSA-N 2 2 264.457 3.421 20 0 CGADLP CCC1CC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000551516012 289118826 /nfs/dbraw/zinc/11/88/26/289118826.db2.gz KNYIUNIFNMUTPG-VFNXUKNFSA-N 2 2 260.425 3.456 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000554091133 289257707 /nfs/dbraw/zinc/25/77/07/289257707.db2.gz CLIGEMXPBZDZMW-LSDHHAIUSA-N 2 2 266.816 3.127 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582378 289295447 /nfs/dbraw/zinc/29/54/47/289295447.db2.gz AJAWUOQQHMASFJ-KRWDZBQOSA-N 2 2 278.415 3.289 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000554582378 289295448 /nfs/dbraw/zinc/29/54/48/289295448.db2.gz AJAWUOQQHMASFJ-KRWDZBQOSA-N 2 2 278.415 3.289 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Cc1ccccc1 ZINC000556044921 289367983 /nfs/dbraw/zinc/36/79/83/289367983.db2.gz BESCQSRKOUPVQM-QFBILLFUSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Cc1ccccc1 ZINC000556044921 289367984 /nfs/dbraw/zinc/36/79/84/289367984.db2.gz BESCQSRKOUPVQM-QFBILLFUSA-N 2 2 286.463 3.472 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000556236016 289379510 /nfs/dbraw/zinc/37/95/10/289379510.db2.gz DXNSGWBGSURSRE-JYJNAYRXSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@H]1C ZINC000556413686 289390804 /nfs/dbraw/zinc/39/08/04/289390804.db2.gz QAXODUFHOKXWQB-MCIONIFRSA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(C)C)cc1 ZINC000556602505 289400364 /nfs/dbraw/zinc/40/03/64/289400364.db2.gz PDPDPBJJIACMEX-RHSMWYFYSA-N 2 2 278.440 3.322 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000560257582 289579944 /nfs/dbraw/zinc/57/99/44/289579944.db2.gz AYGPLZNTXAEJJD-WBVHZDCISA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1C(C)(C)C1(C)C ZINC000560266117 289581004 /nfs/dbraw/zinc/58/10/04/289581004.db2.gz GGDQTQRAYOZJBA-LBPRGKRZSA-N 2 2 275.440 3.380 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248651685 290047416 /nfs/dbraw/zinc/04/74/16/290047416.db2.gz XRGGNFNCRGNDBD-BPUTZDHNSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000224390092 290053318 /nfs/dbraw/zinc/05/33/18/290053318.db2.gz SGKGFTXCKYHRFO-UBHSHLNASA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000224390092 290053319 /nfs/dbraw/zinc/05/33/19/290053319.db2.gz SGKGFTXCKYHRFO-UBHSHLNASA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414095283 290275467 /nfs/dbraw/zinc/27/54/67/290275467.db2.gz HHIOEIGTPONADM-FSZRXZPDSA-N 2 2 287.451 3.241 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414942847 298378733 /nfs/dbraw/zinc/37/87/33/298378733.db2.gz CGWZFHDMPOXHQJ-BXUZGUMPSA-N 2 2 286.341 3.194 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000261551010 298992379 /nfs/dbraw/zinc/99/23/79/298992379.db2.gz LTFIETGIDPLJNX-HOTUBEGUSA-N 2 2 270.829 3.202 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000494631945 301233007 /nfs/dbraw/zinc/23/30/07/301233007.db2.gz KFGNPQRKWCJWGW-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000494631945 301233010 /nfs/dbraw/zinc/23/30/10/301233010.db2.gz KFGNPQRKWCJWGW-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc(N(CC[NH+](C)C)C2CCCC2)nc(C(C)C)[nH+]1 ZINC000339969956 301330551 /nfs/dbraw/zinc/33/05/51/301330551.db2.gz WHHRSGMBRKSSPA-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[NH2+]C(C)(C)C)c(C)s1 ZINC000230971853 301406600 /nfs/dbraw/zinc/40/66/00/301406600.db2.gz FJXWRFSCBKIWFU-LLVKDONJSA-N 2 2 254.443 3.404 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119941399 302180008 /nfs/dbraw/zinc/18/00/08/302180008.db2.gz DQHCSNZZFQJCEQ-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119941399 302180009 /nfs/dbraw/zinc/18/00/09/302180009.db2.gz DQHCSNZZFQJCEQ-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000352900228 302248143 /nfs/dbraw/zinc/24/81/43/302248143.db2.gz JGVSCAKFMSNCRQ-HYVNUMGLSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000352900228 302248144 /nfs/dbraw/zinc/24/81/44/302248144.db2.gz JGVSCAKFMSNCRQ-HYVNUMGLSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000286351199 302282009 /nfs/dbraw/zinc/28/20/09/302282009.db2.gz YTVJBOQJHBNUIN-AWEZNQCLSA-N 2 2 275.440 3.304 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423185418 303118837 /nfs/dbraw/zinc/11/88/37/303118837.db2.gz JHWWXVISHRDFKA-CABCVRRESA-N 2 2 298.352 3.498 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423239081 303136828 /nfs/dbraw/zinc/13/68/28/303136828.db2.gz RUBKGYHIKBDLPC-WMLDXEAASA-N 2 2 276.399 3.399 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1C(F)(F)F ZINC000414292816 533703833 /nfs/dbraw/zinc/70/38/33/533703833.db2.gz AWZZLFPCYIUVBS-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1C(F)(F)F ZINC000414292816 533703840 /nfs/dbraw/zinc/70/38/40/533703840.db2.gz AWZZLFPCYIUVBS-CYBMUJFWSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000152591678 321702031 /nfs/dbraw/zinc/70/20/31/321702031.db2.gz SHRHOEOGYPNQQG-AWEZNQCLSA-N 2 2 262.441 3.283 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCCCn1cc[nH+]c1 ZINC000163402880 321895152 /nfs/dbraw/zinc/89/51/52/321895152.db2.gz FGOCLOBZTBGEPU-LBPRGKRZSA-N 2 2 277.334 3.374 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)c1 ZINC000165977681 321906625 /nfs/dbraw/zinc/90/66/25/321906625.db2.gz OTLCZROSMINYAX-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159548 322063344 /nfs/dbraw/zinc/06/33/44/322063344.db2.gz ZMKARLAUSIDKLN-STQMWFEESA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000565159548 322063346 /nfs/dbraw/zinc/06/33/46/322063346.db2.gz ZMKARLAUSIDKLN-STQMWFEESA-N 2 2 283.366 3.035 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000566392424 322119976 /nfs/dbraw/zinc/11/99/76/322119976.db2.gz CMOAOEUAQGATLC-OEAJRASXSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000566392424 322119977 /nfs/dbraw/zinc/11/99/77/322119977.db2.gz CMOAOEUAQGATLC-OEAJRASXSA-N 2 2 294.389 3.283 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000566862967 322141213 /nfs/dbraw/zinc/14/12/13/322141213.db2.gz ATTWEDQCEWYMQQ-LSDHHAIUSA-N 2 2 259.397 3.098 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000566862967 322141216 /nfs/dbraw/zinc/14/12/16/322141216.db2.gz ATTWEDQCEWYMQQ-LSDHHAIUSA-N 2 2 259.397 3.098 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccoc1 ZINC000567344215 322159795 /nfs/dbraw/zinc/15/97/95/322159795.db2.gz DWDMIPCIKRFQIF-MLGOLLRUSA-N 2 2 258.365 3.193 20 0 CGADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000567639141 322171879 /nfs/dbraw/zinc/17/18/79/322171879.db2.gz YJIXEFLHYCTISR-KGLIPLIRSA-N 2 2 264.413 3.028 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc3sccc3c2)n1C ZINC000568782592 322222634 /nfs/dbraw/zinc/22/26/34/322222634.db2.gz BEWFPSOTFRKEOU-UHFFFAOYSA-N 2 2 271.389 3.233 20 0 CGADLP FCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000569848140 322258524 /nfs/dbraw/zinc/25/85/24/322258524.db2.gz SMXBGYFPESIBDA-UHFFFAOYSA-N 2 2 276.399 3.133 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[NH+]1CCCC1 ZINC000570030902 322263416 /nfs/dbraw/zinc/26/34/16/322263416.db2.gz NGXKRVMKJOBOQP-BPQIPLTHSA-N 2 2 296.499 3.434 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000570222450 322268098 /nfs/dbraw/zinc/26/80/98/322268098.db2.gz OATZLNZGNLIVTB-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000570222450 322268100 /nfs/dbraw/zinc/26/81/00/322268100.db2.gz OATZLNZGNLIVTB-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP Cc1cnccc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000570275736 322269560 /nfs/dbraw/zinc/26/95/60/322269560.db2.gz LXUNLMBRRQIPAF-QAPCUYQASA-N 2 2 283.419 3.171 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)n1C ZINC000570986938 322287292 /nfs/dbraw/zinc/28/72/92/322287292.db2.gz SFLHZXSMCURKEU-APPDUMDISA-N 2 2 287.382 3.281 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC[C@H]1C1CC1)CCCC2 ZINC000572786639 322355419 /nfs/dbraw/zinc/35/54/19/322355419.db2.gz JRGCBTCOCJOYMT-HOTGVXAUSA-N 2 2 273.424 3.278 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000572879664 322359233 /nfs/dbraw/zinc/35/92/33/322359233.db2.gz QQJIRYVPLGWBMQ-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000572879664 322359235 /nfs/dbraw/zinc/35/92/35/322359235.db2.gz QQJIRYVPLGWBMQ-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502951 322391175 /nfs/dbraw/zinc/39/11/75/322391175.db2.gz KHJSXHIEUCFERW-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502951 322391177 /nfs/dbraw/zinc/39/11/77/322391177.db2.gz KHJSXHIEUCFERW-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CCCc3ccccc32)n1C ZINC000573935156 322415071 /nfs/dbraw/zinc/41/50/71/322415071.db2.gz CFDZZWJJQZPSAG-SFHVURJKSA-N 2 2 283.419 3.112 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1CCc3ccccc3CC1)CCCC2 ZINC000575325809 322481628 /nfs/dbraw/zinc/48/16/28/322481628.db2.gz KHOAAOQMOZJHQR-UHFFFAOYSA-N 2 2 295.430 3.257 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000582295345 328952175 /nfs/dbraw/zinc/95/21/75/328952175.db2.gz BUCVGWLDAPCQGW-ABAIWWIYSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1[nH+]c2c(n1Cc1cn3c(cccc3C)[nH+]1)CCCC2 ZINC000582942984 329292021 /nfs/dbraw/zinc/29/20/21/329292021.db2.gz ZXJFBGORGMMCCO-UHFFFAOYSA-N 2 2 280.375 3.075 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[NH+]1CCCC1 ZINC000583080976 329311505 /nfs/dbraw/zinc/31/15/05/329311505.db2.gz ACLJSQIBXTZZIT-UHFFFAOYSA-N 2 2 255.365 3.051 20 0 CGADLP CC(C)C(C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000576148746 335160685 /nfs/dbraw/zinc/16/06/85/335160685.db2.gz UEZSVTROYMDUMO-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C(C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000576148746 335160686 /nfs/dbraw/zinc/16/06/86/335160686.db2.gz UEZSVTROYMDUMO-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@H+](C)Cc1ccccc1 ZINC000576479875 335210265 /nfs/dbraw/zinc/21/02/65/335210265.db2.gz IRZDDAUVAFEADJ-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+](C)Cc1ccccc1 ZINC000576479875 335210266 /nfs/dbraw/zinc/21/02/66/335210266.db2.gz IRZDDAUVAFEADJ-WBVHZDCISA-N 2 2 272.436 3.429 20 0 CGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)o1 ZINC000578313925 335603434 /nfs/dbraw/zinc/60/34/34/335603434.db2.gz BHQZZWFMUKAYSL-HOTGVXAUSA-N 2 2 299.418 3.128 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581658999 336119304 /nfs/dbraw/zinc/11/93/04/336119304.db2.gz WNBWWTAJWPNNMS-FGTMMUONSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581658999 336119306 /nfs/dbraw/zinc/11/93/06/336119306.db2.gz WNBWWTAJWPNNMS-FGTMMUONSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000386182646 336167623 /nfs/dbraw/zinc/16/76/23/336167623.db2.gz YJBCJPDOQHWHKL-BXUZGUMPSA-N 2 2 286.341 3.326 20 0 CGADLP CCOC[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386833261 336180332 /nfs/dbraw/zinc/18/03/32/336180332.db2.gz ICZBJHMJOHKXAA-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386833261 336180333 /nfs/dbraw/zinc/18/03/33/336180333.db2.gz ICZBJHMJOHKXAA-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000449400860 533737872 /nfs/dbraw/zinc/73/78/72/533737872.db2.gz DMKGHVHATULYBM-BEFAXECRSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000449400860 533737881 /nfs/dbraw/zinc/73/78/81/533737881.db2.gz DMKGHVHATULYBM-BEFAXECRSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000437086998 533828962 /nfs/dbraw/zinc/82/89/62/533828962.db2.gz MSLWMHHSSHTUFO-INIZCTEOSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000177328183 533836083 /nfs/dbraw/zinc/83/60/83/533836083.db2.gz JPXXVAGRTVPLRJ-AWEZNQCLSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000366272906 533855369 /nfs/dbraw/zinc/85/53/69/533855369.db2.gz QYLYQJZNPXMUKO-GARJFASQSA-N 2 2 272.845 3.045 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H]1C ZINC000367439783 533878681 /nfs/dbraw/zinc/87/86/81/533878681.db2.gz XAYWVKVUWQNDCO-NFAWXSAZSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccsc1 ZINC000366291866 533914617 /nfs/dbraw/zinc/91/46/17/533914617.db2.gz YVTUBINHDRAJBG-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000449381422 533950247 /nfs/dbraw/zinc/95/02/47/533950247.db2.gz YSUKJQZDSLAFMB-OIISXLGYSA-N 2 2 284.447 3.321 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000449381422 533950257 /nfs/dbraw/zinc/95/02/57/533950257.db2.gz YSUKJQZDSLAFMB-OIISXLGYSA-N 2 2 284.447 3.321 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1csnn1 ZINC000436471859 533977291 /nfs/dbraw/zinc/97/72/91/533977291.db2.gz WKXAEWMNZBCPJP-RYUDHWBXSA-N 2 2 299.403 3.136 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357138 533991153 /nfs/dbraw/zinc/99/11/53/533991153.db2.gz HUYCBRORYJDNNY-COPLHBTASA-N 2 2 286.341 3.354 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352909 534029976 /nfs/dbraw/zinc/02/99/76/534029976.db2.gz ZDIPICDGALTMBZ-NEPJUHHUSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000354887213 534040649 /nfs/dbraw/zinc/04/06/49/534040649.db2.gz BHYSLPAVWJYVKN-CQSZACIVSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000354887213 534040656 /nfs/dbraw/zinc/04/06/56/534040656.db2.gz BHYSLPAVWJYVKN-CQSZACIVSA-N 2 2 269.392 3.346 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000365060908 534159927 /nfs/dbraw/zinc/15/99/27/534159927.db2.gz HOFHMAIUTHGNFJ-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000365060908 534159936 /nfs/dbraw/zinc/15/99/36/534159936.db2.gz HOFHMAIUTHGNFJ-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)[C@@H]1CCC[NH2+]1 ZINC000517229898 535918509 /nfs/dbraw/zinc/91/85/09/535918509.db2.gz HYMAMBPKXONYKW-MXAVVETBSA-N 2 2 262.397 3.023 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449156013 534259307 /nfs/dbraw/zinc/25/93/07/534259307.db2.gz RDXUBHXPVKSSPO-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449156013 534259309 /nfs/dbraw/zinc/25/93/09/534259309.db2.gz RDXUBHXPVKSSPO-QFBILLFUSA-N 2 2 298.430 3.465 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCCC23CCC3)[nH+]c1 ZINC000449220960 534497538 /nfs/dbraw/zinc/49/75/38/534497538.db2.gz FLWSCNAWBLGGQM-CQSZACIVSA-N 2 2 259.397 3.196 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)[nH+]1 ZINC000353924517 534539940 /nfs/dbraw/zinc/53/99/40/534539940.db2.gz SILFDLMBEOITPB-DLBZAZTESA-N 2 2 281.403 3.393 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)C1CCCCC1 ZINC000420368316 534675885 /nfs/dbraw/zinc/67/58/85/534675885.db2.gz NNVOYBLLTOPIKT-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414071808 534684565 /nfs/dbraw/zinc/68/45/65/534684565.db2.gz UKGCMWFLHWKZFA-GUTXKFCHSA-N 2 2 271.408 3.369 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000163376678 523834487 /nfs/dbraw/zinc/83/44/87/523834487.db2.gz FYXBAZCGSAQRAD-BBRMVZONSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000163376678 523834494 /nfs/dbraw/zinc/83/44/94/523834494.db2.gz FYXBAZCGSAQRAD-BBRMVZONSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1nccs1 ZINC000086507802 525335542 /nfs/dbraw/zinc/33/55/42/525335542.db2.gz WRGCZQNXFOZLLO-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1nccs1 ZINC000086507802 525335549 /nfs/dbraw/zinc/33/55/49/525335549.db2.gz WRGCZQNXFOZLLO-AWEZNQCLSA-N 2 2 289.448 3.316 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000184339995 526215458 /nfs/dbraw/zinc/21/54/58/526215458.db2.gz DLGGYYWYGCVVJL-HNNXBMFYSA-N 2 2 284.407 3.328 20 0 CGADLP Cc1csc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)n1 ZINC000083704663 526357241 /nfs/dbraw/zinc/35/72/41/526357241.db2.gz HAZGVQWYXBVONE-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1csc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)n1 ZINC000083704663 526357244 /nfs/dbraw/zinc/35/72/44/526357244.db2.gz HAZGVQWYXBVONE-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP c1csc([C@@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCC2)c1 ZINC000086249412 526583960 /nfs/dbraw/zinc/58/39/60/526583960.db2.gz UYDZCFFTUPCXSV-CQSZACIVSA-N 2 2 275.421 3.003 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CS1 ZINC000368488792 526737888 /nfs/dbraw/zinc/73/78/88/526737888.db2.gz TYORKAXFIHQZRD-TZMCWYRMSA-N 2 2 293.480 3.229 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000183672882 527377821 /nfs/dbraw/zinc/37/78/21/527377821.db2.gz VJTAITZXQCDDMO-SNVBAGLBSA-N 2 2 265.307 3.096 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc21 ZINC000157434957 527377914 /nfs/dbraw/zinc/37/79/14/527377914.db2.gz UWWVZIRYOVEUFB-CVEARBPZSA-N 2 2 274.314 3.199 20 0 CGADLP CC(C)=CCC[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423236669 527418562 /nfs/dbraw/zinc/41/85/62/527418562.db2.gz SBYIRTWZARKBIB-OAHLLOKOSA-N 2 2 288.439 3.038 20 0 CGADLP CC(C)(C)C1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000020305978 527631954 /nfs/dbraw/zinc/63/19/54/527631954.db2.gz QPTAMRAAPHWUBL-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230834 527838023 /nfs/dbraw/zinc/83/80/23/527838023.db2.gz SSVHOJORMTXASH-ZFWWWQNUSA-N 2 2 293.455 3.411 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230834 527838028 /nfs/dbraw/zinc/83/80/28/527838028.db2.gz SSVHOJORMTXASH-ZFWWWQNUSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230834 527838031 /nfs/dbraw/zinc/83/80/31/527838031.db2.gz SSVHOJORMTXASH-ZFWWWQNUSA-N 2 2 293.455 3.411 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)C[C@@H]1C ZINC000428230834 527838038 /nfs/dbraw/zinc/83/80/38/527838038.db2.gz SSVHOJORMTXASH-ZFWWWQNUSA-N 2 2 293.455 3.411 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000358161173 528116339 /nfs/dbraw/zinc/11/63/39/528116339.db2.gz KTILFYLZXLMQBT-NSCUHMNNSA-N 2 2 274.383 3.081 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000358161173 528116343 /nfs/dbraw/zinc/11/63/43/528116343.db2.gz KTILFYLZXLMQBT-NSCUHMNNSA-N 2 2 274.383 3.081 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103952 528205082 /nfs/dbraw/zinc/20/50/82/528205082.db2.gz ZMQHYBIWPDCTBQ-HIFRSBDPSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103952 528205086 /nfs/dbraw/zinc/20/50/86/528205086.db2.gz ZMQHYBIWPDCTBQ-HIFRSBDPSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000427863722 528314588 /nfs/dbraw/zinc/31/45/88/528314588.db2.gz IXXBINHXXJPSGR-NWDGAFQWSA-N 2 2 290.436 3.129 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000358151822 528315101 /nfs/dbraw/zinc/31/51/01/528315101.db2.gz GUJQUYUSCZGNFV-AGIUHOORSA-N 2 2 281.469 3.400 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000358151822 528315106 /nfs/dbraw/zinc/31/51/06/528315106.db2.gz GUJQUYUSCZGNFV-AGIUHOORSA-N 2 2 281.469 3.400 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423233636 528332818 /nfs/dbraw/zinc/33/28/18/528332818.db2.gz KHIVTTZPKGAXBF-SFHVURJKSA-N 2 2 286.394 3.309 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423231911 528334442 /nfs/dbraw/zinc/33/44/42/528334442.db2.gz HKQYLBGNILFLOF-GOSISDBHSA-N 2 2 286.394 3.309 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423377251 528421755 /nfs/dbraw/zinc/42/17/55/528421755.db2.gz KDCAQHCFILZBTI-ZJUUUORDSA-N 2 2 258.768 3.128 20 0 CGADLP CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368513401 528472088 /nfs/dbraw/zinc/47/20/88/528472088.db2.gz DJCOUOVIIILLHV-AWEZNQCLSA-N 2 2 261.413 3.199 20 0 CGADLP CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368513401 528472095 /nfs/dbraw/zinc/47/20/95/528472095.db2.gz DJCOUOVIIILLHV-AWEZNQCLSA-N 2 2 261.413 3.199 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423449549 528475942 /nfs/dbraw/zinc/47/59/42/528475942.db2.gz RUFKPCSOTHXPLW-DCAQKATOSA-N 2 2 270.804 3.125 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449110645 528508624 /nfs/dbraw/zinc/50/86/24/528508624.db2.gz FPEXMAUSNCMNDE-GFCCVEGCSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000449110645 528508626 /nfs/dbraw/zinc/50/86/26/528508626.db2.gz FPEXMAUSNCMNDE-GFCCVEGCSA-N 2 2 282.378 3.142 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000423305415 528516003 /nfs/dbraw/zinc/51/60/03/528516003.db2.gz BRMPOLRWOZHSDA-CQSZACIVSA-N 2 2 256.393 3.490 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423309978 528516949 /nfs/dbraw/zinc/51/69/49/528516949.db2.gz MUPDMNVUJUWRJC-INIZCTEOSA-N 2 2 264.388 3.174 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423313162 528517839 /nfs/dbraw/zinc/51/78/39/528517839.db2.gz UDSUHPWVSXBEMK-OAHLLOKOSA-N 2 2 252.402 3.346 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423304629 528822239 /nfs/dbraw/zinc/82/22/39/528822239.db2.gz ZHEVFKJBOKJRPT-SWLSCSKDSA-N 2 2 294.464 3.339 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423300843 528824053 /nfs/dbraw/zinc/82/40/53/528824053.db2.gz SFIIPPUZESIHAY-HIFRSBDPSA-N 2 2 271.408 3.403 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423287068 528954671 /nfs/dbraw/zinc/95/46/71/528954671.db2.gz KCGFHVNGSRWSRC-LLVKDONJSA-N 2 2 281.469 3.190 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423303444 528957796 /nfs/dbraw/zinc/95/77/96/528957796.db2.gz XCNMTLGVGNWYTM-HIFRSBDPSA-N 2 2 267.392 3.025 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424333962 529001631 /nfs/dbraw/zinc/00/16/31/529001631.db2.gz UZNKDTZBWYPSPW-SJORKVTESA-N 2 2 276.399 3.086 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436271384 529091854 /nfs/dbraw/zinc/09/18/54/529091854.db2.gz DTRUROZTXTVRBM-FHWLQOOXSA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436271384 529091858 /nfs/dbraw/zinc/09/18/58/529091858.db2.gz DTRUROZTXTVRBM-FHWLQOOXSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC1(C)C ZINC000414131111 529155453 /nfs/dbraw/zinc/15/54/53/529155453.db2.gz XJVBUYXVQKCWCI-JKSUJKDBSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000423226537 529166159 /nfs/dbraw/zinc/16/61/59/529166159.db2.gz RBXCJYHUBJNDBC-QGZVFWFLSA-N 2 2 272.392 3.109 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1OC ZINC000423236983 529174457 /nfs/dbraw/zinc/17/44/57/529174457.db2.gz HSNNJNJOWVRHDO-IAGOWNOFSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000427876770 529207907 /nfs/dbraw/zinc/20/79/07/529207907.db2.gz NBISJPCKPMPUGL-NWDGAFQWSA-N 2 2 261.394 3.000 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368103993 529208027 /nfs/dbraw/zinc/20/80/27/529208027.db2.gz ZSQUZQDUDDLWEJ-UONOGXRCSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000368103993 529208028 /nfs/dbraw/zinc/20/80/28/529208028.db2.gz ZSQUZQDUDDLWEJ-UONOGXRCSA-N 2 2 273.355 3.147 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244792 529257930 /nfs/dbraw/zinc/25/79/30/529257930.db2.gz XTDGFRPHFMXTII-STQMWFEESA-N 2 2 264.438 3.201 20 0 CGADLP CCCc1csc(C[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000494324922 535449758 /nfs/dbraw/zinc/44/97/58/535449758.db2.gz BAKKKFSEQMOULA-UHFFFAOYSA-N 2 2 281.469 3.061 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000125247993 535457460 /nfs/dbraw/zinc/45/74/60/535457460.db2.gz UIXXHDUNWLGEEV-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000125247993 535457463 /nfs/dbraw/zinc/45/74/63/535457463.db2.gz UIXXHDUNWLGEEV-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119953 535808362 /nfs/dbraw/zinc/80/83/62/535808362.db2.gz LRNZMAUHSVBIHD-QZTJIDSGSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119953 535808363 /nfs/dbraw/zinc/80/83/63/535808363.db2.gz LRNZMAUHSVBIHD-QZTJIDSGSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000483707578 535948704 /nfs/dbraw/zinc/94/87/04/535948704.db2.gz AVVJONNWYVJRCW-PVAVHDDUSA-N 2 2 274.452 3.283 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000483707578 535948709 /nfs/dbraw/zinc/94/87/09/535948709.db2.gz AVVJONNWYVJRCW-PVAVHDDUSA-N 2 2 274.452 3.283 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000515649811 536343112 /nfs/dbraw/zinc/34/31/12/536343112.db2.gz ARPRFUDKUMYPRV-UHFFFAOYSA-N 2 2 295.839 3.244 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000515649811 536343115 /nfs/dbraw/zinc/34/31/15/536343115.db2.gz ARPRFUDKUMYPRV-UHFFFAOYSA-N 2 2 295.839 3.244 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299739346 567149523 /nfs/dbraw/zinc/14/95/23/567149523.db2.gz NMNUXARXIHTYBZ-CQSZACIVSA-N 2 2 287.432 3.270 20 0 CGADLP Cl/C=C/C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686961 571815370 /nfs/dbraw/zinc/81/53/70/571815370.db2.gz ZJTRZYGBBNPWPM-PMGBHYCQSA-N 2 2 270.848 3.327 20 0 CGADLP Cl/C=C/C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686961 571815371 /nfs/dbraw/zinc/81/53/71/571815371.db2.gz ZJTRZYGBBNPWPM-PMGBHYCQSA-N 2 2 270.848 3.327 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924618445 618981645 /nfs/dbraw/zinc/98/16/45/618981645.db2.gz ZSLOMHSLVHDPFE-AWEZNQCLSA-N 2 2 281.831 3.042 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924618445 618981647 /nfs/dbraw/zinc/98/16/47/618981647.db2.gz ZSLOMHSLVHDPFE-AWEZNQCLSA-N 2 2 281.831 3.042 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000854230840 619063673 /nfs/dbraw/zinc/06/36/73/619063673.db2.gz AARIEVDAVKQVIK-VHSXEESVSA-N 2 2 274.380 3.260 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925613024 619087247 /nfs/dbraw/zinc/08/72/47/619087247.db2.gz WMEBTMDMVCFFLP-FOIPXRHGSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925613024 619087248 /nfs/dbraw/zinc/08/72/48/619087248.db2.gz WMEBTMDMVCFFLP-FOIPXRHGSA-N 2 2 294.483 3.329 20 0 CGADLP CC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925677100 619126066 /nfs/dbraw/zinc/12/60/66/619126066.db2.gz NXXTYIOVSRTVCF-CQSZACIVSA-N 2 2 280.362 3.173 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1Br ZINC000261540901 619288429 /nfs/dbraw/zinc/28/84/29/619288429.db2.gz ANUVRMJRTPFNKE-COPLHBTASA-N 2 2 297.240 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccoc1 ZINC000094868818 619288815 /nfs/dbraw/zinc/28/88/15/619288815.db2.gz YQCSPYBJMQTUHK-JSGCOSHPSA-N 2 2 261.369 3.242 20 0 CGADLP C[C@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)C[NH+]1CCCC1 ZINC000094965951 619291049 /nfs/dbraw/zinc/29/10/49/619291049.db2.gz DESOOZOMSDEQLY-CYBMUJFWSA-N 2 2 295.496 3.262 20 0 CGADLP Fc1cccc(/C=C/C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893966172 619340941 /nfs/dbraw/zinc/34/09/41/619340941.db2.gz IXVFPSNLENGUSA-IJJSQOHJSA-N 2 2 285.366 3.442 20 0 CGADLP Fc1cccc(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000893980135 619343899 /nfs/dbraw/zinc/34/38/99/619343899.db2.gz INCQIKQQGPZULW-DUXPYHPUSA-N 2 2 285.366 3.442 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925041238 619507728 /nfs/dbraw/zinc/50/77/28/619507728.db2.gz JJAGTPGRDAVHBC-AEFFLSMTSA-N 2 2 289.467 3.114 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925041238 619507732 /nfs/dbraw/zinc/50/77/32/619507732.db2.gz JJAGTPGRDAVHBC-AEFFLSMTSA-N 2 2 289.467 3.114 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000895113229 619736752 /nfs/dbraw/zinc/73/67/52/619736752.db2.gz VJPCNVOPMJGAOB-QBPKDAKJSA-N 2 2 285.435 3.347 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000895671075 619869407 /nfs/dbraw/zinc/86/94/07/619869407.db2.gz NALHYKSZIYOUTO-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000895672618 619869848 /nfs/dbraw/zinc/86/98/48/619869848.db2.gz WBFZOBGTIAAKEM-ZZXKWVIFSA-N 2 2 288.410 3.399 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000895706877 619873345 /nfs/dbraw/zinc/87/33/45/619873345.db2.gz OHUBHJKMMZINFC-YOEHRIQHSA-N 2 2 269.392 3.403 20 0 CGADLP CCC[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706367 619873423 /nfs/dbraw/zinc/87/34/23/619873423.db2.gz JGXQVIYFQUETQV-IAGOWNOFSA-N 2 2 287.407 3.029 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000895821108 619890382 /nfs/dbraw/zinc/89/03/82/619890382.db2.gz BSQKRRMAVVMYAO-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)co2)cc1 ZINC000262500117 620178838 /nfs/dbraw/zinc/17/88/38/620178838.db2.gz LYQYDIGZYWLMRH-QGZVFWFLSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)co2)cc1 ZINC000262500117 620178841 /nfs/dbraw/zinc/17/88/41/620178841.db2.gz LYQYDIGZYWLMRH-QGZVFWFLSA-N 2 2 299.418 3.224 20 0 CGADLP c1cn2c([nH+]1)[C@@H](C[NH2+]C1CC3(C1)CCCC3)CCC2 ZINC000925173618 620215418 /nfs/dbraw/zinc/21/54/18/620215418.db2.gz YXMUYCJPYSAFKS-CYBMUJFWSA-N 2 2 259.397 3.073 20 0 CGADLP CSC1CC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000925183893 620219515 /nfs/dbraw/zinc/21/95/15/620219515.db2.gz KTPMFEWOCRAECR-YGONEPDPSA-N 2 2 287.432 3.417 20 0 CGADLP COCCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000925270586 620330302 /nfs/dbraw/zinc/33/03/02/620330302.db2.gz ABNVGMLWDALYOU-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP COCCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000925270586 620330306 /nfs/dbraw/zinc/33/03/06/620330306.db2.gz ABNVGMLWDALYOU-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCCC1 ZINC000079627407 620515526 /nfs/dbraw/zinc/51/55/26/620515526.db2.gz OHHHWLLXPQPOLN-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCC2(CCC2)O1 ZINC000927010490 620560571 /nfs/dbraw/zinc/56/05/71/620560571.db2.gz LEVATOXCWPQNRA-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCC2(CCC2)O1 ZINC000927010490 620560573 /nfs/dbraw/zinc/56/05/73/620560573.db2.gz LEVATOXCWPQNRA-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000927035446 620566845 /nfs/dbraw/zinc/56/68/45/620566845.db2.gz GTQWLTZAMYPNSL-HRCADAONSA-N 2 2 294.508 3.411 20 0 CGADLP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CCS2 ZINC000927035446 620566848 /nfs/dbraw/zinc/56/68/48/620566848.db2.gz GTQWLTZAMYPNSL-HRCADAONSA-N 2 2 294.508 3.411 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC000902436557 621317818 /nfs/dbraw/zinc/31/78/18/621317818.db2.gz ZRGSVALAWFBHAB-BZUAXINKSA-N 2 2 272.417 3.414 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc2ccccc21 ZINC000902472715 621324252 /nfs/dbraw/zinc/32/42/52/621324252.db2.gz GBZSXAYOSRKPJO-AQNCSGRASA-N 2 2 266.388 3.383 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)ccc1F ZINC000902474189 621325160 /nfs/dbraw/zinc/32/51/60/621325160.db2.gz DEQHIEDWCSSULE-XBVQOTNRSA-N 2 2 274.383 3.068 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468317 621339120 /nfs/dbraw/zinc/33/91/20/621339120.db2.gz UYMIOXLVHQRSHM-PBZHRCKQSA-N 2 2 295.430 3.336 20 0 CGADLP c1cncc([C@@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C2CCC2)c1 ZINC000902483941 621352680 /nfs/dbraw/zinc/35/26/80/621352680.db2.gz SVUOBNAXFSKZOG-IRXDYDNUSA-N 2 2 273.424 3.045 20 0 CGADLP CNc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000902624280 621383139 /nfs/dbraw/zinc/38/31/39/621383139.db2.gz HPLWBWCTKMGMQQ-KRWDZBQOSA-N 2 2 287.451 3.225 20 0 CGADLP CNc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000902624280 621383143 /nfs/dbraw/zinc/38/31/43/621383143.db2.gz HPLWBWCTKMGMQQ-KRWDZBQOSA-N 2 2 287.451 3.225 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902741551 621421870 /nfs/dbraw/zinc/42/18/70/621421870.db2.gz DCPIUKJJHUWVSP-QWRGUYRKSA-N 2 2 298.312 3.036 20 0 CGADLP CC(C)C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCOCC1 ZINC000902759179 621429095 /nfs/dbraw/zinc/42/90/95/621429095.db2.gz QVZHCWVOAOHJRV-KRWDZBQOSA-N 2 2 293.455 3.094 20 0 CGADLP c1ccc(NCCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)[nH+]c1 ZINC000902835288 621468560 /nfs/dbraw/zinc/46/85/60/621468560.db2.gz CYRPYHPRRDXWRJ-ZIAGYGMSSA-N 2 2 259.397 3.052 20 0 CGADLP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006152 621529465 /nfs/dbraw/zinc/52/94/65/621529465.db2.gz FFUQWMRGFZKBEI-ZIAGYGMSSA-N 2 2 287.407 3.072 20 0 CGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085092 621564913 /nfs/dbraw/zinc/56/49/13/621564913.db2.gz PXOJPTCNTJIYSA-IIAWOOMASA-N 2 2 287.407 3.072 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CO2 ZINC000903123601 621589720 /nfs/dbraw/zinc/58/97/20/621589720.db2.gz CFIMKRXGVUXXFI-NPVYPNSJSA-N 2 2 298.430 3.176 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903123601 621589725 /nfs/dbraw/zinc/58/97/25/621589725.db2.gz CFIMKRXGVUXXFI-NPVYPNSJSA-N 2 2 298.430 3.176 20 0 CGADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)CC2)[nH+]c1 ZINC000903168290 621617601 /nfs/dbraw/zinc/61/76/01/621617601.db2.gz HURXBAKPABZECC-ZOBUZTSGSA-N 2 2 285.435 3.076 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2scnc2Cl)CCC1 ZINC000903812105 621814174 /nfs/dbraw/zinc/81/41/74/621814174.db2.gz PUCOPHLJPPMTEY-LBPRGKRZSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2scnc2Cl)CCC1 ZINC000903812105 621814176 /nfs/dbraw/zinc/81/41/76/621814176.db2.gz PUCOPHLJPPMTEY-LBPRGKRZSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000903841983 621819289 /nfs/dbraw/zinc/81/92/89/621819289.db2.gz IRKQCWFPMGPPKO-WCQGTBRESA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000903841983 621819291 /nfs/dbraw/zinc/81/92/91/621819291.db2.gz IRKQCWFPMGPPKO-WCQGTBRESA-N 2 2 285.218 3.305 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903883026 621825918 /nfs/dbraw/zinc/82/59/18/621825918.db2.gz DLWCOSGJAYGIDX-TZMCWYRMSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903883026 621825919 /nfs/dbraw/zinc/82/59/19/621825919.db2.gz DLWCOSGJAYGIDX-TZMCWYRMSA-N 2 2 268.351 3.114 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000921531616 625651317 /nfs/dbraw/zinc/65/13/17/625651317.db2.gz NTKBFPMNCSUUON-UYTYNIKBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000921531616 625651319 /nfs/dbraw/zinc/65/13/19/625651319.db2.gz NTKBFPMNCSUUON-UYTYNIKBSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1nccs1 ZINC000086509788 626075424 /nfs/dbraw/zinc/07/54/24/626075424.db2.gz FEZQPBNQXUWMGA-RYUDHWBXSA-N 2 2 278.425 3.105 20 0 CGADLP Cc1ccc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000838783794 626253612 /nfs/dbraw/zinc/25/36/12/626253612.db2.gz LYNADWNZVFARSF-UHFFFAOYSA-N 2 2 281.403 3.060 20 0 CGADLP Cc1ccc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000838783794 626253618 /nfs/dbraw/zinc/25/36/18/626253618.db2.gz LYNADWNZVFARSF-UHFFFAOYSA-N 2 2 281.403 3.060 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764964213 627234412 /nfs/dbraw/zinc/23/44/12/627234412.db2.gz HADYDNAXDIGLHJ-KSZLIROESA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000764964213 627234414 /nfs/dbraw/zinc/23/44/14/627234414.db2.gz HADYDNAXDIGLHJ-KSZLIROESA-N 2 2 270.420 3.199 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872724 627276248 /nfs/dbraw/zinc/27/62/48/627276248.db2.gz KUQMGGWQRZQBGW-IAGOWNOFSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872724 627276251 /nfs/dbraw/zinc/27/62/51/627276251.db2.gz KUQMGGWQRZQBGW-IAGOWNOFSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270313 627309033 /nfs/dbraw/zinc/30/90/33/627309033.db2.gz QIBPSGXFGYHWEC-HOTGVXAUSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270313 627309038 /nfs/dbraw/zinc/30/90/38/627309038.db2.gz QIBPSGXFGYHWEC-HOTGVXAUSA-N 2 2 298.434 3.007 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766271223 627310042 /nfs/dbraw/zinc/31/00/42/627310042.db2.gz SPWMPDWFZBQZNR-GJZGRUSLSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766271223 627310043 /nfs/dbraw/zinc/31/00/43/627310043.db2.gz SPWMPDWFZBQZNR-GJZGRUSLSA-N 2 2 276.424 3.220 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000766329367 627320685 /nfs/dbraw/zinc/32/06/85/627320685.db2.gz DCJBTLRYPDOEEM-KURKYZTESA-N 2 2 286.463 3.499 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000766329853 627321356 /nfs/dbraw/zinc/32/13/56/627321356.db2.gz GCYLPBBPHUIMMH-HOTGVXAUSA-N 2 2 274.452 3.499 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000769868512 627584871 /nfs/dbraw/zinc/58/48/71/627584871.db2.gz QZCWYFMSRWEIAP-ZIAGYGMSSA-N 2 2 293.455 3.461 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000769868512 627584874 /nfs/dbraw/zinc/58/48/74/627584874.db2.gz QZCWYFMSRWEIAP-ZIAGYGMSSA-N 2 2 293.455 3.461 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353158 627614887 /nfs/dbraw/zinc/61/48/87/627614887.db2.gz SAJGKMOAFCCBJG-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353158 627614890 /nfs/dbraw/zinc/61/48/90/627614890.db2.gz SAJGKMOAFCCBJG-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353158 627614894 /nfs/dbraw/zinc/61/48/94/627614894.db2.gz SAJGKMOAFCCBJG-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353158 627614897 /nfs/dbraw/zinc/61/48/97/627614897.db2.gz SAJGKMOAFCCBJG-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771174817 627688707 /nfs/dbraw/zinc/68/87/07/627688707.db2.gz BOYYEOZRTCKVJB-CQSZACIVSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000774438902 627990420 /nfs/dbraw/zinc/99/04/20/627990420.db2.gz HQMHIXUQIFUIMR-FMKPAKJESA-N 2 2 285.391 3.090 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782755866 628662008 /nfs/dbraw/zinc/66/20/08/628662008.db2.gz WGPHDYOVEJFGEO-QGZVFWFLSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782966375 628670807 /nfs/dbraw/zinc/67/08/07/628670807.db2.gz DHGTWVWVIFHQOE-IBPQLXRUSA-N 2 2 261.756 3.275 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783244855 628693838 /nfs/dbraw/zinc/69/38/38/628693838.db2.gz WTUAJHRIYUIVDS-KDOFPFPSSA-N 2 2 287.451 3.110 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000783280043 628698326 /nfs/dbraw/zinc/69/83/26/628698326.db2.gz QGGIFCWKNZQWIC-KDOFPFPSSA-N 2 2 287.451 3.427 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784496108 628816522 /nfs/dbraw/zinc/81/65/22/628816522.db2.gz QHHMYORGVZTGTM-GFCCVEGCSA-N 2 2 287.388 3.248 20 0 CGADLP CC1=CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000788639498 629070944 /nfs/dbraw/zinc/07/09/44/629070944.db2.gz PKMZQMMMXSYRGS-INIZCTEOSA-N 2 2 267.376 3.461 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000863545116 629603254 /nfs/dbraw/zinc/60/32/54/629603254.db2.gz HXGGFRIHOWXITG-XKQJLSEDSA-N 2 2 288.435 3.193 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865435765 630123630 /nfs/dbraw/zinc/12/36/30/630123630.db2.gz UHGVWZAVJFULDA-UHFFFAOYSA-N 2 2 299.821 3.228 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CCSC3)c2)c[nH+]1 ZINC000865651937 630253963 /nfs/dbraw/zinc/25/39/63/630253963.db2.gz JXIGCEPJJAJDSQ-GFCCVEGCSA-N 2 2 293.461 3.167 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000800475465 630283609 /nfs/dbraw/zinc/28/36/09/630283609.db2.gz CWFVZDGEJBHICH-HRCADAONSA-N 2 2 293.455 3.093 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000800493453 630288250 /nfs/dbraw/zinc/28/82/50/630288250.db2.gz YMOGOKVKYMTCAK-UHFFFAOYSA-N 2 2 293.842 3.007 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000806131828 630545811 /nfs/dbraw/zinc/54/58/11/630545811.db2.gz PEGUOGUKIHHMGX-KFWWJZLASA-N 2 2 261.413 3.076 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767687 630803413 /nfs/dbraw/zinc/80/34/13/630803413.db2.gz RDIOZTITJQGZGL-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767687 630803416 /nfs/dbraw/zinc/80/34/16/630803416.db2.gz RDIOZTITJQGZGL-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000809767687 630803419 /nfs/dbraw/zinc/80/34/19/630803419.db2.gz RDIOZTITJQGZGL-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000809767687 630803421 /nfs/dbraw/zinc/80/34/21/630803421.db2.gz RDIOZTITJQGZGL-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000817949885 632246790 /nfs/dbraw/zinc/24/67/90/632246790.db2.gz OSTOUSFTSBHAHT-OCCSQVGLSA-N 2 2 296.842 3.450 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817955135 632250090 /nfs/dbraw/zinc/25/00/90/632250090.db2.gz QUUFKJAWUAUVFY-QZTJIDSGSA-N 2 2 266.388 3.272 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)n1C ZINC000865834548 632906728 /nfs/dbraw/zinc/90/67/28/632906728.db2.gz STZUKIJPHNMLQX-GOSISDBHSA-N 2 2 298.434 3.015 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC(C)(C)[NH+](C)C ZINC000866214288 633031998 /nfs/dbraw/zinc/03/19/98/633031998.db2.gz MLSYEBQOXQDPQE-OAHLLOKOSA-N 2 2 299.462 3.486 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000866347846 633092282 /nfs/dbraw/zinc/09/22/82/633092282.db2.gz KSPQKGYLJOGRAA-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000866347846 633092290 /nfs/dbraw/zinc/09/22/90/633092290.db2.gz KSPQKGYLJOGRAA-YJBOKZPZSA-N 2 2 287.451 3.009 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000828210723 633584633 /nfs/dbraw/zinc/58/46/33/633584633.db2.gz ACYFMMDEFWYDKE-PBHICJAKSA-N 2 2 287.407 3.194 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872034010 633952557 /nfs/dbraw/zinc/95/25/57/633952557.db2.gz FBDRORNFTUIVLT-CHWSQXEVSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000872034010 633952562 /nfs/dbraw/zinc/95/25/62/633952562.db2.gz FBDRORNFTUIVLT-CHWSQXEVSA-N 2 2 278.362 3.181 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCCc3ccccc3C1)C2 ZINC000872074207 633996730 /nfs/dbraw/zinc/99/67/30/633996730.db2.gz YWIDYVHLGFRZOF-SJORKVTESA-N 2 2 295.430 3.194 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226961 634290832 /nfs/dbraw/zinc/29/08/32/634290832.db2.gz FHMJKHCKTUVDCO-LSDHHAIUSA-N 2 2 292.471 3.086 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226961 634290837 /nfs/dbraw/zinc/29/08/37/634290837.db2.gz FHMJKHCKTUVDCO-LSDHHAIUSA-N 2 2 292.471 3.086 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230278 634292320 /nfs/dbraw/zinc/29/23/20/634292320.db2.gz OOBWUXAHUXACIW-HUUCEWRRSA-N 2 2 264.800 3.023 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876955730 634936507 /nfs/dbraw/zinc/93/65/07/634936507.db2.gz BRJGTXKASXJFRH-MNOVXSKESA-N 2 2 290.238 3.081 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]1C ZINC000840717825 635041456 /nfs/dbraw/zinc/04/14/56/635041456.db2.gz UEKMASBSLHULDY-COXVUDFISA-N 2 2 269.392 3.397 20 0 CGADLP FC(F)Sc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000841089484 635121335 /nfs/dbraw/zinc/12/13/35/635121335.db2.gz HRAJNYGDSJOXDS-LBPRGKRZSA-N 2 2 286.391 3.233 20 0 CGADLP CC1(C)CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)OC1 ZINC000877971429 635297081 /nfs/dbraw/zinc/29/70/81/635297081.db2.gz WVNBUOBUYAUKGQ-QGZVFWFLSA-N 2 2 294.483 3.142 20 0 CGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843127737 635562470 /nfs/dbraw/zinc/56/24/70/635562470.db2.gz SXNHDWYIYXGREQ-GXTWGEPZSA-N 2 2 298.402 3.185 20 0 CGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843127737 635562472 /nfs/dbraw/zinc/56/24/72/635562472.db2.gz SXNHDWYIYXGREQ-GXTWGEPZSA-N 2 2 298.402 3.185 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537683 636016948 /nfs/dbraw/zinc/01/69/48/636016948.db2.gz VRXRTKAVPHOQRS-YOEHRIQHSA-N 2 2 267.376 3.126 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537683 636016955 /nfs/dbraw/zinc/01/69/55/636016955.db2.gz VRXRTKAVPHOQRS-YOEHRIQHSA-N 2 2 267.376 3.126 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc2)c[nH+]1 ZINC000880568600 636023105 /nfs/dbraw/zinc/02/31/05/636023105.db2.gz BEJTXOSPUFAJEH-ZWKOTPCHSA-N 2 2 299.418 3.173 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000848548945 636600751 /nfs/dbraw/zinc/60/07/51/636600751.db2.gz HRYSUUWHKQKMJI-HNNXBMFYSA-N 2 2 269.392 3.111 20 0 CGADLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000848986356 636705329 /nfs/dbraw/zinc/70/53/29/636705329.db2.gz GNHQJDJEHMGXQG-OCCSQVGLSA-N 2 2 296.484 3.043 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2F)[C@@H](C)C1 ZINC000883376769 636718034 /nfs/dbraw/zinc/71/80/34/636718034.db2.gz SOQQIHQYCPUECC-XDKFSHSGSA-N 2 2 290.426 3.332 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2F)[C@@H](C)C1 ZINC000883376769 636718040 /nfs/dbraw/zinc/71/80/40/636718040.db2.gz SOQQIHQYCPUECC-XDKFSHSGSA-N 2 2 290.426 3.332 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2ccccc2)c[nH+]1 ZINC000883388417 636730568 /nfs/dbraw/zinc/73/05/68/636730568.db2.gz UYZXBXIOXAVMKS-BSDSXHPESA-N 2 2 281.403 3.403 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000885918847 637311288 /nfs/dbraw/zinc/31/12/88/637311288.db2.gz AXMZLHAIZGWAPO-IAGOWNOFSA-N 2 2 296.499 3.434 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000885946861 637325225 /nfs/dbraw/zinc/32/52/25/637325225.db2.gz SUVWDMLGRFKYBI-SJLPKXTDSA-N 2 2 299.418 3.310 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000885946860 637325700 /nfs/dbraw/zinc/32/57/00/637325700.db2.gz SUVWDMLGRFKYBI-FUHWJXTLSA-N 2 2 299.418 3.310 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886542849 637569518 /nfs/dbraw/zinc/56/95/18/637569518.db2.gz GVSFNVQWGJRMSI-YOEHRIQHSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886542849 637569526 /nfs/dbraw/zinc/56/95/26/637569526.db2.gz GVSFNVQWGJRMSI-YOEHRIQHSA-N 2 2 269.392 3.275 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000221982363 637771118 /nfs/dbraw/zinc/77/11/18/637771118.db2.gz LNCYSERISAGJBZ-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncc(F)c1 ZINC000222556023 637802699 /nfs/dbraw/zinc/80/26/99/637802699.db2.gz DMLZDJQBBAFKPG-SWLSCSKDSA-N 2 2 290.386 3.183 20 0 CGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000854221892 638025611 /nfs/dbraw/zinc/02/56/11/638025611.db2.gz BOCKUEGWMUUTLS-XDNAFOTISA-N 2 2 288.410 3.049 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000924532513 638352967 /nfs/dbraw/zinc/35/29/67/638352967.db2.gz DJHKDOSZYCLLDK-ZDUSSCGKSA-N 2 2 268.364 3.105 20 0 CGADLP Clc1ccnc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000924577113 638365437 /nfs/dbraw/zinc/36/54/37/638365437.db2.gz BNABKDAJLRUKKL-OAHLLOKOSA-N 2 2 293.842 3.188 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924768497 638401106 /nfs/dbraw/zinc/40/11/06/638401106.db2.gz GLNKCBYUQATFPK-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)(C)CO ZINC000925060122 638445229 /nfs/dbraw/zinc/44/52/29/638445229.db2.gz MCTJIGDUHHANJQ-LSDHHAIUSA-N 2 2 292.467 3.112 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cnn(C2CCC2)c1 ZINC000925167361 638466722 /nfs/dbraw/zinc/46/67/22/638466722.db2.gz BVBWCYVHYRTFHF-UONOGXRCSA-N 2 2 299.422 3.033 20 0 CGADLP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000925167809 638466956 /nfs/dbraw/zinc/46/69/56/638466956.db2.gz DZJDCTJTFFHVNO-CVEARBPZSA-N 2 2 281.403 3.346 20 0 CGADLP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000925167817 638467135 /nfs/dbraw/zinc/46/71/35/638467135.db2.gz DZJDCTJTFFHVNO-JKSUJKDBSA-N 2 2 281.403 3.346 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925185441 638469838 /nfs/dbraw/zinc/46/98/38/638469838.db2.gz CJJLXDPURXBLEJ-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925185441 638469841 /nfs/dbraw/zinc/46/98/41/638469841.db2.gz CJJLXDPURXBLEJ-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000925306712 638493384 /nfs/dbraw/zinc/49/33/84/638493384.db2.gz IWGJYQLXXOHRMW-CYBMUJFWSA-N 2 2 291.439 3.004 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCNc1ccccc1)c1ccccc1 ZINC000925504173 638513055 /nfs/dbraw/zinc/51/30/55/638513055.db2.gz MQYMSIOKYKVBKZ-CRAIPNDOSA-N 2 2 283.419 3.167 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000925532359 638521294 /nfs/dbraw/zinc/52/12/94/638521294.db2.gz RICHDAWWEYLAGO-YOEHRIQHSA-N 2 2 276.424 3.014 20 0 CGADLP Fc1ccc(C2([NH2+][C@@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925596747 638540459 /nfs/dbraw/zinc/54/04/59/638540459.db2.gz WHTKCEWMHRDJQX-OAHLLOKOSA-N 2 2 274.383 3.079 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599571 638541525 /nfs/dbraw/zinc/54/15/25/638541525.db2.gz ABWRXIMKNYLLMW-RDTXWAMCSA-N 2 2 296.418 3.182 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925607112 638543694 /nfs/dbraw/zinc/54/36/94/638543694.db2.gz NSTLZUGVYWJYBO-QFSBIZTOSA-N 2 2 287.407 3.073 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000925657646 638559347 /nfs/dbraw/zinc/55/93/47/638559347.db2.gz DKELSUUSOILSIX-ATZDWAIDSA-N 2 2 298.430 3.442 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000925670365 638563289 /nfs/dbraw/zinc/56/32/89/638563289.db2.gz KYTCSSZOBGDKAT-JQWIXIFHSA-N 2 2 272.314 3.007 20 0 CGADLP CCSc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000925732646 638588620 /nfs/dbraw/zinc/58/86/20/638588620.db2.gz QRCZBNPMTBUGMP-DOMZBBRYSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871812 638637167 /nfs/dbraw/zinc/63/71/67/638637167.db2.gz ITAJZZJIQDKPMI-OLMNPRSZSA-N 2 2 295.430 3.007 20 0 CGADLP C[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)CC1(C)C ZINC000858399191 638703465 /nfs/dbraw/zinc/70/34/65/638703465.db2.gz WGGFZNNHZMHELC-INIZCTEOSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CC1(C)C ZINC000858399191 638703474 /nfs/dbraw/zinc/70/34/74/638703474.db2.gz WGGFZNNHZMHELC-INIZCTEOSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@H]3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC000858399191 638703478 /nfs/dbraw/zinc/70/34/78/638703478.db2.gz WGGFZNNHZMHELC-INIZCTEOSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858399191 638703484 /nfs/dbraw/zinc/70/34/84/638703484.db2.gz WGGFZNNHZMHELC-INIZCTEOSA-N 2 2 287.451 3.354 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000926290593 638759938 /nfs/dbraw/zinc/75/99/38/638759938.db2.gz OYCSBVAQZDFQPK-SJFVDLKVSA-N 2 2 280.481 3.020 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000926290593 638759939 /nfs/dbraw/zinc/75/99/39/638759939.db2.gz OYCSBVAQZDFQPK-SJFVDLKVSA-N 2 2 280.481 3.020 20 0 CGADLP c1cc2cc(CC[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000926356761 638765939 /nfs/dbraw/zinc/76/59/39/638765939.db2.gz DOIBSWWZVMUOAQ-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2cc(CC[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000926356761 638765941 /nfs/dbraw/zinc/76/59/41/638765941.db2.gz DOIBSWWZVMUOAQ-MOPGFXCFSA-N 2 2 297.446 3.317 20 0 CGADLP C[C@]1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(F)F ZINC000926704849 638801375 /nfs/dbraw/zinc/80/13/75/638801375.db2.gz LNAATXMHPGRXJT-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@]1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(F)F ZINC000926704849 638801377 /nfs/dbraw/zinc/80/13/77/638801377.db2.gz LNAATXMHPGRXJT-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000929783367 638951018 /nfs/dbraw/zinc/95/10/18/638951018.db2.gz PWMSMZIEMFFDIM-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000929783367 638951020 /nfs/dbraw/zinc/95/10/20/638951020.db2.gz PWMSMZIEMFFDIM-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783367 638951021 /nfs/dbraw/zinc/95/10/21/638951021.db2.gz PWMSMZIEMFFDIM-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783367 638951023 /nfs/dbraw/zinc/95/10/23/638951023.db2.gz PWMSMZIEMFFDIM-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(C)[nH+]1 ZINC000930865286 639079960 /nfs/dbraw/zinc/07/99/60/639079960.db2.gz LXPTYWWMFBQGEM-LLVKDONJSA-N 2 2 287.382 3.327 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c(C)[nH+]1 ZINC000930865286 639079965 /nfs/dbraw/zinc/07/99/65/639079965.db2.gz LXPTYWWMFBQGEM-LLVKDONJSA-N 2 2 287.382 3.327 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000931351054 639139655 /nfs/dbraw/zinc/13/96/55/639139655.db2.gz FFSGBPMDTJODCN-INIZCTEOSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000932274794 639308975 /nfs/dbraw/zinc/30/89/75/639308975.db2.gz KFEFJWGACCOTKZ-QAPCUYQASA-N 2 2 283.419 3.231 20 0 CGADLP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000932274794 639308982 /nfs/dbraw/zinc/30/89/82/639308982.db2.gz KFEFJWGACCOTKZ-QAPCUYQASA-N 2 2 283.419 3.231 20 0 CGADLP Cc1nc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000080693922 640498360 /nfs/dbraw/zinc/49/83/60/640498360.db2.gz FFVOKAPVEMLXLI-AWEZNQCLSA-N 2 2 292.452 3.161 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CCO1 ZINC000251350729 640825635 /nfs/dbraw/zinc/82/56/35/640825635.db2.gz SFFJXQIBRDQAEO-OWCLPIDISA-N 2 2 293.455 3.091 20 0 CGADLP Cc1cc(N[C@H]2C[NH2+]Cc3ccsc32)nc(C(C)C)[nH+]1 ZINC001155564939 805594005 /nfs/dbraw/zinc/59/40/05/805594005.db2.gz JTBHSUOJJGXXCI-LBPRGKRZSA-N 2 2 288.420 3.226 20 0 CGADLP CSc1cc[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001156774800 805732902 /nfs/dbraw/zinc/73/29/02/805732902.db2.gz CYYICZGPSBZCOE-UHFFFAOYSA-N 2 2 279.453 3.288 20 0 CGADLP COc1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156927811 805755154 /nfs/dbraw/zinc/75/51/54/805755154.db2.gz GCOWPXILESZANY-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP COc1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001156927811 805755160 /nfs/dbraw/zinc/75/51/60/805755160.db2.gz GCOWPXILESZANY-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP CC1([NH+]2CCCC2)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001157658238 805845941 /nfs/dbraw/zinc/84/59/41/805845941.db2.gz LEAVRVRCEXTQKK-UHFFFAOYSA-N 2 2 285.435 3.414 20 0 CGADLP Cc1cc(C)c(Nc2ccc3c(c2)CC[NH2+]C3)c[nH+]1 ZINC001159203640 806059358 /nfs/dbraw/zinc/05/93/58/806059358.db2.gz HUHIBUUTIKQDBC-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP CCc1cccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1 ZINC001159261227 806066922 /nfs/dbraw/zinc/06/69/22/806066922.db2.gz BQDOSBURIRKNBY-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1cccc(OCC[NH3+])c1 ZINC001159416623 806099328 /nfs/dbraw/zinc/09/93/28/806099328.db2.gz CJZDGWUQFORKNC-UHFFFAOYSA-N 2 2 271.364 3.034 20 0 CGADLP CNc1ccc(Nc2ccc(C(C)(C)C[NH3+])cc2)c[nH+]1 ZINC001159580595 806124617 /nfs/dbraw/zinc/12/46/17/806124617.db2.gz RYODOWPWBNPQRZ-UHFFFAOYSA-N 2 2 270.380 3.103 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159600289 806129079 /nfs/dbraw/zinc/12/90/79/806129079.db2.gz HDKOHZPWNUQGHP-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1cc[nH+]c2cc(NC=CC3CC[NH2+]CC3)ccc12 ZINC001159736668 806165593 /nfs/dbraw/zinc/16/55/93/806165593.db2.gz PCVJLVDDPXGCSI-YRNVUSSQSA-N 2 2 267.376 3.468 20 0 CGADLP Cc1[nH+]cc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)cc1N ZINC001160285055 806249428 /nfs/dbraw/zinc/24/94/28/806249428.db2.gz NPYAZCMSEIMJKB-UHFFFAOYSA-N 2 2 282.391 3.097 20 0 CGADLP c1cn(C2CCc3ccccc3CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001254462354 806411898 /nfs/dbraw/zinc/41/18/98/806411898.db2.gz ZCKBXWVVSWIVBL-KRWDZBQOSA-N 2 2 295.430 3.470 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1c(F)cccc1F ZINC001254513883 806434674 /nfs/dbraw/zinc/43/46/74/806434674.db2.gz GWYKGRAKCWPCLU-DOMZBBRYSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1c(F)cccc1F ZINC001254513883 806434682 /nfs/dbraw/zinc/43/46/82/806434682.db2.gz GWYKGRAKCWPCLU-DOMZBBRYSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccc(OC)cc1 ZINC001254843316 806495835 /nfs/dbraw/zinc/49/58/35/806495835.db2.gz HWCJZNBMHFLEPE-SJLPKXTDSA-N 2 2 288.435 3.220 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254831078 806492516 /nfs/dbraw/zinc/49/25/16/806492516.db2.gz KKNWJNIUDXSSQH-SFHVURJKSA-N 2 2 280.415 3.414 20 0 CGADLP FC(F)(F)C1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254836396 806493052 /nfs/dbraw/zinc/49/30/52/806493052.db2.gz LNVXSWBRYRRVIN-JXQTWKCFSA-N 2 2 290.373 3.181 20 0 CGADLP Clc1ccc(CCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254835354 806493286 /nfs/dbraw/zinc/49/32/86/806493286.db2.gz GIURYPUOCRPENT-KRWDZBQOSA-N 2 2 292.854 3.347 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254833284 806493522 /nfs/dbraw/zinc/49/35/22/806493522.db2.gz OKVDCMUWOZBENU-OAHLLOKOSA-N 2 2 278.465 3.063 20 0 CGADLP CC1(C)CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847398 806497441 /nfs/dbraw/zinc/49/74/41/806497441.db2.gz GQQHQWAZJJODAD-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853326 806498320 /nfs/dbraw/zinc/49/83/20/806498320.db2.gz MZBVASARIFSHRQ-WMLDXEAASA-N 2 2 270.420 3.090 20 0 CGADLP C[C@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853326 806498326 /nfs/dbraw/zinc/49/83/26/806498326.db2.gz MZBVASARIFSHRQ-WMLDXEAASA-N 2 2 270.420 3.090 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1C ZINC001254853528 806499978 /nfs/dbraw/zinc/49/99/78/806499978.db2.gz XMUKWAOIIFMSRZ-WBVHZDCISA-N 2 2 272.436 3.438 20 0 CGADLP CCc1cc(NCC[N@H+](C)C2CCCCC2)nc(CC)[nH+]1 ZINC001162272166 806545072 /nfs/dbraw/zinc/54/50/72/806545072.db2.gz AWZXHBZWFUSZCO-UHFFFAOYSA-N 2 2 290.455 3.278 20 0 CGADLP CCc1cc(NCC[N@@H+](C)C2CCCCC2)nc(CC)[nH+]1 ZINC001162272166 806545077 /nfs/dbraw/zinc/54/50/77/806545077.db2.gz AWZXHBZWFUSZCO-UHFFFAOYSA-N 2 2 290.455 3.278 20 0 CGADLP Cc1ccc2cc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]cc2c1 ZINC001162393453 806575513 /nfs/dbraw/zinc/57/55/13/806575513.db2.gz VKHCHXQRGZNSIU-GJZGRUSLSA-N 2 2 255.365 3.225 20 0 CGADLP COc1ccc([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)c2[nH]ccc21 ZINC001162455563 806587425 /nfs/dbraw/zinc/58/74/25/806587425.db2.gz DUJFWPMFOPSJCF-STQMWFEESA-N 2 2 287.407 3.224 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)ccc1[NH+](C)C ZINC001162472416 806594334 /nfs/dbraw/zinc/59/43/34/806594334.db2.gz XKVUSZFEDYRLNB-LSDHHAIUSA-N 2 2 275.440 3.109 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1 ZINC000037156325 798861080 /nfs/dbraw/zinc/86/10/80/798861080.db2.gz FDEOUGMZBYBBDV-ZDUSSCGKSA-N 2 2 263.410 3.149 20 0 CGADLP C[N@H+](Cc1cnc(Cl)s1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673491 806701830 /nfs/dbraw/zinc/70/18/30/806701830.db2.gz BNEJZVDPBNPLQY-FOSCPWQOSA-N 2 2 299.871 3.244 20 0 CGADLP C[N@@H+](Cc1cnc(Cl)s1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255673491 806701832 /nfs/dbraw/zinc/70/18/32/806701832.db2.gz BNEJZVDPBNPLQY-FOSCPWQOSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255673491 806701833 /nfs/dbraw/zinc/70/18/33/806701833.db2.gz BNEJZVDPBNPLQY-FOSCPWQOSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673491 806701835 /nfs/dbraw/zinc/70/18/35/806701835.db2.gz BNEJZVDPBNPLQY-FOSCPWQOSA-N 2 2 299.871 3.244 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001255705097 806712440 /nfs/dbraw/zinc/71/24/40/806712440.db2.gz CXLOKMWIWBWCSV-NEPJUHHUSA-N 2 2 288.313 3.171 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000387543763 799446908 /nfs/dbraw/zinc/44/69/08/799446908.db2.gz PVEBUEWIPSPIPL-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001255772433 806743535 /nfs/dbraw/zinc/74/35/35/806743535.db2.gz HCJQHHRYQUWWFL-INIZCTEOSA-N 2 2 262.441 3.248 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001255772433 806743540 /nfs/dbraw/zinc/74/35/40/806743540.db2.gz HCJQHHRYQUWWFL-INIZCTEOSA-N 2 2 262.441 3.248 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000393547858 799488896 /nfs/dbraw/zinc/48/88/96/799488896.db2.gz OZBJWZGMNVUPGW-IBGZPJMESA-N 2 2 295.430 3.245 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000397744141 799519525 /nfs/dbraw/zinc/51/95/25/799519525.db2.gz AXGVFJNUSKUMJI-BBRMVZONSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000441166372 799615865 /nfs/dbraw/zinc/61/58/65/799615865.db2.gz KCSSLGWOKPCPKA-LBPRGKRZSA-N 2 2 278.362 3.135 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708862894 799997674 /nfs/dbraw/zinc/99/76/74/799997674.db2.gz QOOZZYHUJUNJFP-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708862894 799997683 /nfs/dbraw/zinc/99/76/83/799997683.db2.gz QOOZZYHUJUNJFP-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)c[nH+]1 ZINC000709589222 800010738 /nfs/dbraw/zinc/01/07/38/800010738.db2.gz QQQVBLZTMSMASC-OAHLLOKOSA-N 2 2 287.432 3.248 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000717942631 800207889 /nfs/dbraw/zinc/20/78/89/800207889.db2.gz HZSZZBQBBGFNJI-SECBINFHSA-N 2 2 289.326 3.314 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C)o1 ZINC001256069615 806811835 /nfs/dbraw/zinc/81/18/35/806811835.db2.gz IOAGGXYILBQPAZ-OAHLLOKOSA-N 2 2 262.397 3.256 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074031 806813268 /nfs/dbraw/zinc/81/32/68/806813268.db2.gz IWYMDJZPBDSJBT-GFCCVEGCSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@@H](C)[N@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079363 806815516 /nfs/dbraw/zinc/81/55/16/806815516.db2.gz IGFVCONUEZOIRY-CQSZACIVSA-N 2 2 288.435 3.315 20 0 CGADLP COc1ccc([C@@H](C)[N@@H+](C)C2CC[NH+](C3CC3)CC2)cc1 ZINC001256079363 806815523 /nfs/dbraw/zinc/81/55/23/806815523.db2.gz IGFVCONUEZOIRY-CQSZACIVSA-N 2 2 288.435 3.315 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@H]2CCCC3(CC3)C2)n1 ZINC000723604247 800329866 /nfs/dbraw/zinc/32/98/66/800329866.db2.gz UZLDJRUGZHZNHF-LBPRGKRZSA-N 2 2 279.453 3.017 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207539 806848983 /nfs/dbraw/zinc/84/89/83/806848983.db2.gz LORKCXYNERPSHD-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207539 806848993 /nfs/dbraw/zinc/84/89/93/806848993.db2.gz LORKCXYNERPSHD-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP CC(C)N(CCC[NH3+])c1cc[nH+]c(OCc2ccccc2)c1 ZINC001164122582 806896725 /nfs/dbraw/zinc/89/67/25/806896725.db2.gz JNGBLICCMFUWAD-UHFFFAOYSA-N 2 2 299.418 3.224 20 0 CGADLP CC(C)(C)c1ccc(N2CCC[C@@](C)(C[NH3+])CC2)[nH+]c1 ZINC001164250621 806923895 /nfs/dbraw/zinc/92/38/95/806923895.db2.gz TVCKCHCDGVCBQP-QGZVFWFLSA-N 2 2 275.440 3.334 20 0 CGADLP COc1ccc2[nH+]c(N3C[C@H](C[NH3+])CC[C@H]3C)cc(C)c2c1 ZINC001164467935 806951344 /nfs/dbraw/zinc/95/13/44/806951344.db2.gz OMNCAEDUVGNVLL-KGLIPLIRSA-N 2 2 299.418 3.115 20 0 CGADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)[nH+]c2c1C ZINC001165154087 806973127 /nfs/dbraw/zinc/97/31/27/806973127.db2.gz ZCDLLZOHJFLNLE-IYBDPMFKSA-N 2 2 295.430 3.158 20 0 CGADLP Cc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)[nH+]c2c1C ZINC001165154087 806973132 /nfs/dbraw/zinc/97/31/32/806973132.db2.gz ZCDLLZOHJFLNLE-IYBDPMFKSA-N 2 2 295.430 3.158 20 0 CGADLP CC[C@@H](C)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201520593 811882091 /nfs/dbraw/zinc/88/20/91/811882091.db2.gz FYTGANZWRIGFLP-CQSZACIVSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H](C)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201520593 811882099 /nfs/dbraw/zinc/88/20/99/811882099.db2.gz FYTGANZWRIGFLP-CQSZACIVSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1cc2[nH+]ccn2cc1-c1cccc(OCC[NH+](C)C)c1 ZINC001243749120 802981126 /nfs/dbraw/zinc/98/11/26/802981126.db2.gz QXHACISCBLFZAJ-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP Oc1cccc(Cl)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244033976 803152752 /nfs/dbraw/zinc/15/27/52/803152752.db2.gz URNYZVBYHYCQNA-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2cccc(OCC[NH3+])c2)c1 ZINC001244326237 803305834 /nfs/dbraw/zinc/30/58/34/803305834.db2.gz YYHMHLUAWQRNAL-UHFFFAOYSA-N 2 2 293.370 3.092 20 0 CGADLP CNc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244828827 803540402 /nfs/dbraw/zinc/54/04/02/803540402.db2.gz ONGYVCVPBQLDHF-INIZCTEOSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244828827 803540405 /nfs/dbraw/zinc/54/04/05/803540405.db2.gz ONGYVCVPBQLDHF-INIZCTEOSA-N 2 2 299.393 3.067 20 0 CGADLP Fc1ccc(-c2ccc3c[nH+]cn3c2)cc1-n1cc[nH+]c1 ZINC001245901120 804031409 /nfs/dbraw/zinc/03/14/09/804031409.db2.gz XSEBXQPZAMNRJN-UHFFFAOYSA-N 2 2 278.290 3.326 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccnc1F ZINC001138794391 804041985 /nfs/dbraw/zinc/04/19/85/804041985.db2.gz UPCFEHOLSZEXEG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccnc1F ZINC001138794391 804041993 /nfs/dbraw/zinc/04/19/93/804041993.db2.gz UPCFEHOLSZEXEG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccnc1F ZINC001138794391 804042000 /nfs/dbraw/zinc/04/20/00/804042000.db2.gz UPCFEHOLSZEXEG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccnc1F ZINC001138794391 804042009 /nfs/dbraw/zinc/04/20/09/804042009.db2.gz UPCFEHOLSZEXEG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246074184 804112770 /nfs/dbraw/zinc/11/27/70/804112770.db2.gz CAHVRSVOYPFIGK-WPRPVWTQSA-N 2 2 291.197 3.363 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)cc21 ZINC001139120056 804132538 /nfs/dbraw/zinc/13/25/38/804132538.db2.gz JVZMTLQSNXUWKM-HKUYNNGSSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)cc21 ZINC001139120056 804132540 /nfs/dbraw/zinc/13/25/40/804132540.db2.gz JVZMTLQSNXUWKM-HKUYNNGSSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)cc21 ZINC001139120056 804132543 /nfs/dbraw/zinc/13/25/43/804132543.db2.gz JVZMTLQSNXUWKM-HKUYNNGSSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)cc21 ZINC001139120056 804132544 /nfs/dbraw/zinc/13/25/44/804132544.db2.gz JVZMTLQSNXUWKM-HKUYNNGSSA-N 2 2 297.446 3.187 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246102889 804135232 /nfs/dbraw/zinc/13/52/32/804135232.db2.gz XKYDLKUNNMQVES-ZNMIVQPWSA-N 2 2 258.425 3.415 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246102866 804135793 /nfs/dbraw/zinc/13/57/93/804135793.db2.gz XKYDLKUNNMQVES-KKUMJFAQSA-N 2 2 258.425 3.415 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001139360201 804184100 /nfs/dbraw/zinc/18/41/00/804184100.db2.gz LIDPVWLRCDFZNO-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001139360201 804184105 /nfs/dbraw/zinc/18/41/05/804184105.db2.gz LIDPVWLRCDFZNO-CABCVRRESA-N 2 2 269.392 3.493 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139516386 804196996 /nfs/dbraw/zinc/19/69/96/804196996.db2.gz YRDNWXSBOSYQHO-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139516386 804197002 /nfs/dbraw/zinc/19/70/02/804197002.db2.gz YRDNWXSBOSYQHO-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@H](C)[NH2+]1 ZINC001246228508 804221657 /nfs/dbraw/zinc/22/16/57/804221657.db2.gz XWAWJVYVEJTOQI-DOFRTFSJSA-N 2 2 288.769 3.237 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@@H](C)[NH2+]1 ZINC001246262304 804244475 /nfs/dbraw/zinc/24/44/75/804244475.db2.gz AKUYTZBJCOWQPR-RKDXNWHRSA-N 2 2 288.769 3.237 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246272098 804249141 /nfs/dbraw/zinc/24/91/41/804249141.db2.gz KZYDDVCEELZVPI-JKSUJKDBSA-N 2 2 264.388 3.255 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001246275867 804252079 /nfs/dbraw/zinc/25/20/79/804252079.db2.gz XVLCKLKFUMGWED-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279176 804254293 /nfs/dbraw/zinc/25/42/93/804254293.db2.gz KUNGJYBZVLQSHI-WMLDXEAASA-N 2 2 286.806 3.097 20 0 CGADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246283068 804257792 /nfs/dbraw/zinc/25/77/92/804257792.db2.gz ZAIOINOBSNMJAI-CYBMUJFWSA-N 2 2 286.341 3.282 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1Cl ZINC001246293659 804263221 /nfs/dbraw/zinc/26/32/21/804263221.db2.gz OZQVMLNNYCQKEG-SGMGOOAPSA-N 2 2 266.816 3.440 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246294795 804263650 /nfs/dbraw/zinc/26/36/50/804263650.db2.gz NAMGBZFJIJVLPC-JYJNAYRXSA-N 2 2 270.461 3.092 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246294806 804265088 /nfs/dbraw/zinc/26/50/88/804265088.db2.gz NCXLGLZFHGNACI-IXDOHACOSA-N 2 2 284.488 3.482 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246295537 804265153 /nfs/dbraw/zinc/26/51/53/804265153.db2.gz PAJXCXBPJJKFNP-DOTOQJQBSA-N 2 2 284.488 3.482 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246302256 804268520 /nfs/dbraw/zinc/26/85/20/804268520.db2.gz XJHHLJJNQONKOT-HUUCEWRRSA-N 3 2 257.466 3.129 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCCCC2)C[NH2+]1 ZINC001246318221 804278842 /nfs/dbraw/zinc/27/88/42/804278842.db2.gz PTFXHUGRLRFACV-CZUORRHYSA-N 2 2 276.399 3.325 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246324617 804282016 /nfs/dbraw/zinc/28/20/16/804282016.db2.gz GDOCYJPQGPCSLE-ZBFHGGJFSA-N 2 2 292.492 3.453 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246332515 804287349 /nfs/dbraw/zinc/28/73/49/804287349.db2.gz MVZMWUQRSDPPJZ-CJNGLKHVSA-N 2 2 294.389 3.320 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246347431 804297866 /nfs/dbraw/zinc/29/78/66/804297866.db2.gz PNYDDCRBUONOHO-DZGBDDFRSA-N 2 2 296.867 3.303 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001246347173 804298144 /nfs/dbraw/zinc/29/81/44/804298144.db2.gz PDGOYOIJKPYCLK-OAHLLOKOSA-N 2 2 284.403 3.080 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246358295 804304498 /nfs/dbraw/zinc/30/44/98/804304498.db2.gz CPPRIONXHUJJTL-NTZNESFSSA-N 2 2 284.856 3.161 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2F)CC[NH2+]1 ZINC001246377579 804312180 /nfs/dbraw/zinc/31/21/80/804312180.db2.gz HDDFIDFHQUFRIV-TYNCELHUSA-N 2 2 282.378 3.392 20 0 CGADLP Fc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246401424 804321481 /nfs/dbraw/zinc/32/14/81/804321481.db2.gz DLLSYWFQGNIMER-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C[NH2+]1 ZINC001246413188 804325040 /nfs/dbraw/zinc/32/50/40/804325040.db2.gz OBEIQKSXJSQAKA-ZBFHGGJFSA-N 2 2 297.402 3.104 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C[NH2+]1 ZINC001246413187 804325845 /nfs/dbraw/zinc/32/58/45/804325845.db2.gz OBEIQKSXJSQAKA-HOCLYGCPSA-N 2 2 297.402 3.104 20 0 CGADLP Fc1cccc([C@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246449948 804336652 /nfs/dbraw/zinc/33/66/52/804336652.db2.gz KJDKUMQAEHWJFM-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001246461457 804341966 /nfs/dbraw/zinc/34/19/66/804341966.db2.gz JHWHITGCEGEIDM-IUODEOHRSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@]1([NH2+][C@@H](C)CSc2ccc(C)cc2)CC[NH2+]C1 ZINC001246462232 804344183 /nfs/dbraw/zinc/34/41/83/804344183.db2.gz RTGNEKJGLSMFLE-HOCLYGCPSA-N 2 2 278.465 3.207 20 0 CGADLP CC(C)[PH+](CC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001246470659 804348102 /nfs/dbraw/zinc/34/81/02/804348102.db2.gz QQGOOLWSVPYDJP-KGLIPLIRSA-N 3 2 258.390 3.015 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC001246512472 804367652 /nfs/dbraw/zinc/36/76/52/804367652.db2.gz UHWNWAWZNQODML-GDBMZVCRSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596028 804436875 /nfs/dbraw/zinc/43/68/75/804436875.db2.gz YOELQJCFLCWNBL-KCPJHIHWSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596028 804436877 /nfs/dbraw/zinc/43/68/77/804436877.db2.gz YOELQJCFLCWNBL-KCPJHIHWSA-N 2 2 284.806 3.032 20 0 CGADLP CCCCCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)CC1 ZINC001246629996 804460580 /nfs/dbraw/zinc/46/05/80/804460580.db2.gz LODUPKRWXYVDFA-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP CCCCCC1CCC([N@H+]2CC[C@@H]3[NH2+]CCO[C@H]3C2)CC1 ZINC001246629996 804460585 /nfs/dbraw/zinc/46/05/85/804460585.db2.gz LODUPKRWXYVDFA-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647199 804475487 /nfs/dbraw/zinc/47/54/87/804475487.db2.gz IOEIOSSRPYNYKY-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647199 804475492 /nfs/dbraw/zinc/47/54/92/804475492.db2.gz IOEIOSSRPYNYKY-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649504 804476675 /nfs/dbraw/zinc/47/66/75/804476675.db2.gz CBRSRIYUSFQQFV-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649504 804476678 /nfs/dbraw/zinc/47/66/78/804476678.db2.gz CBRSRIYUSFQQFV-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246651027 804479056 /nfs/dbraw/zinc/47/90/56/804479056.db2.gz VSCKAXICAGQLHU-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001246684914 804496003 /nfs/dbraw/zinc/49/60/03/804496003.db2.gz YDVZZVPDMHHPQH-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001246684914 804496006 /nfs/dbraw/zinc/49/60/06/804496006.db2.gz YDVZZVPDMHHPQH-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775465 804504834 /nfs/dbraw/zinc/50/48/34/804504834.db2.gz IQEDBNSMVAFQIW-CZUORRHYSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775465 804504837 /nfs/dbraw/zinc/50/48/37/804504837.db2.gz IQEDBNSMVAFQIW-CZUORRHYSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779389 804506538 /nfs/dbraw/zinc/50/65/38/804506538.db2.gz SNKHBDBSVNBFQX-RHSMWYFYSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779389 804506545 /nfs/dbraw/zinc/50/65/45/804506545.db2.gz SNKHBDBSVNBFQX-RHSMWYFYSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccs3)CC2)C[NH2+]1 ZINC001246786940 804511285 /nfs/dbraw/zinc/51/12/85/804511285.db2.gz BFXRMPMNPHOMFJ-TZMCWYRMSA-N 2 2 264.438 3.068 20 0 CGADLP F[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140800102 804518891 /nfs/dbraw/zinc/51/88/91/804518891.db2.gz UWFNJCUZLLWARM-CYBMUJFWSA-N 2 2 283.297 3.132 20 0 CGADLP F[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140800102 804518897 /nfs/dbraw/zinc/51/88/97/804518897.db2.gz UWFNJCUZLLWARM-CYBMUJFWSA-N 2 2 283.297 3.132 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)C[NH2+]1 ZINC001246821992 804535080 /nfs/dbraw/zinc/53/50/80/804535080.db2.gz JXVDCAGQDHJURX-WMLDXEAASA-N 2 2 290.426 3.221 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821033 804535454 /nfs/dbraw/zinc/53/54/54/804535454.db2.gz HPXKPRQYWQIMLW-LSDHHAIUSA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821033 804535462 /nfs/dbraw/zinc/53/54/62/804535462.db2.gz HPXKPRQYWQIMLW-LSDHHAIUSA-N 2 2 276.399 3.452 20 0 CGADLP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836488 804544672 /nfs/dbraw/zinc/54/46/72/804544672.db2.gz XWOIOPMRWFWHJG-CHPDAQJUSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836488 804544681 /nfs/dbraw/zinc/54/46/81/804544681.db2.gz XWOIOPMRWFWHJG-CHPDAQJUSA-N 2 2 284.447 3.224 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844698 804553196 /nfs/dbraw/zinc/55/31/96/804553196.db2.gz BQNTWSXXAYLGPB-RHSMWYFYSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844698 804553204 /nfs/dbraw/zinc/55/32/04/804553204.db2.gz BQNTWSXXAYLGPB-RHSMWYFYSA-N 2 2 292.854 3.475 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246845176 804554059 /nfs/dbraw/zinc/55/40/59/804554059.db2.gz LIFWSPVHTRZSLU-QBPKDAKJSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246845176 804554062 /nfs/dbraw/zinc/55/40/62/804554062.db2.gz LIFWSPVHTRZSLU-QBPKDAKJSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870208 804571355 /nfs/dbraw/zinc/57/13/55/804571355.db2.gz JOBDOOMONSWIRT-ZIAGYGMSSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870208 804571360 /nfs/dbraw/zinc/57/13/60/804571360.db2.gz JOBDOOMONSWIRT-ZIAGYGMSSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870202 804572247 /nfs/dbraw/zinc/57/22/47/804572247.db2.gz JOBDOOMONSWIRT-KGLIPLIRSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870202 804572248 /nfs/dbraw/zinc/57/22/48/804572248.db2.gz JOBDOOMONSWIRT-KGLIPLIRSA-N 2 2 278.827 3.229 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876094 804574178 /nfs/dbraw/zinc/57/41/78/804574178.db2.gz YJTVAXOUWZTNNE-PBHICJAKSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246876094 804574180 /nfs/dbraw/zinc/57/41/80/804574180.db2.gz YJTVAXOUWZTNNE-PBHICJAKSA-N 2 2 292.854 3.475 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCC[NH2+]CCC1 ZINC001246905030 804589586 /nfs/dbraw/zinc/58/95/86/804589586.db2.gz JWLSEDCWXISFMW-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946202 804613641 /nfs/dbraw/zinc/61/36/41/804613641.db2.gz OCZPOLAMVRVIHI-IAGOWNOFSA-N 2 2 278.415 3.161 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946202 804613645 /nfs/dbraw/zinc/61/36/45/804613645.db2.gz OCZPOLAMVRVIHI-IAGOWNOFSA-N 2 2 278.415 3.161 20 0 CGADLP CCCC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952302 804615579 /nfs/dbraw/zinc/61/55/79/804615579.db2.gz JCVNJCIVTWOVEC-RDJZCZTQSA-N 2 2 275.440 3.214 20 0 CGADLP CCCC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952302 804615583 /nfs/dbraw/zinc/61/55/83/804615583.db2.gz JCVNJCIVTWOVEC-RDJZCZTQSA-N 2 2 275.440 3.214 20 0 CGADLP c1cc(C[N@H+](C2CCC3(CC3)CC2)[C@@H]2CCC[NH2+]C2)ccn1 ZINC001246948789 804615929 /nfs/dbraw/zinc/61/59/29/804615929.db2.gz MBHANDLCDAYKFB-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP c1cc(C[N@@H+](C2CCC3(CC3)CC2)[C@@H]2CCC[NH2+]C2)ccn1 ZINC001246948789 804615932 /nfs/dbraw/zinc/61/59/32/804615932.db2.gz MBHANDLCDAYKFB-GOSISDBHSA-N 2 2 299.462 3.358 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952723 804616423 /nfs/dbraw/zinc/61/64/23/804616423.db2.gz MQBMSMKUMAHRBK-AEFFLSMTSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952723 804616426 /nfs/dbraw/zinc/61/64/26/804616426.db2.gz MQBMSMKUMAHRBK-AEFFLSMTSA-N 2 2 289.467 3.460 20 0 CGADLP CCC[C@@H](CC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246950952 804617015 /nfs/dbraw/zinc/61/70/15/804617015.db2.gz ADMXZJCVHYTVDF-SJORKVTESA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@@H](CC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246950952 804617019 /nfs/dbraw/zinc/61/70/19/804617019.db2.gz ADMXZJCVHYTVDF-SJORKVTESA-N 2 2 275.440 3.214 20 0 CGADLP c1ccc(C[N@H+]([C@H]2CCC[NH2+]C2)C2CCCCCC2)nc1 ZINC001246952834 804617534 /nfs/dbraw/zinc/61/75/34/804617534.db2.gz XKJWBJIOJFHHCS-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc(C[N@@H+]([C@H]2CCC[NH2+]C2)C2CCCCCC2)nc1 ZINC001246952834 804617537 /nfs/dbraw/zinc/61/75/37/804617537.db2.gz XKJWBJIOJFHHCS-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246963537 804619612 /nfs/dbraw/zinc/61/96/12/804619612.db2.gz BLTPQOLZMQHRFJ-RDTXWAMCSA-N 2 2 272.436 3.408 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC001246963537 804619614 /nfs/dbraw/zinc/61/96/14/804619614.db2.gz BLTPQOLZMQHRFJ-RDTXWAMCSA-N 2 2 272.436 3.408 20 0 CGADLP CCCn1c(CCCCC[NH3+])[nH+]c2ccc(OC)cc21 ZINC001247043193 804650447 /nfs/dbraw/zinc/65/04/47/804650447.db2.gz QJSMBAPIPNWWMH-UHFFFAOYSA-N 2 2 275.396 3.126 20 0 CGADLP c1cn2cc(C[NH+]3CCC4(CCC4)CC3)ccc2[nH+]1 ZINC001143022017 804796761 /nfs/dbraw/zinc/79/67/61/804796761.db2.gz KBOBWEFTHNQVSZ-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP FC1CC2(C1)CCC[N@H+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143026641 804796929 /nfs/dbraw/zinc/79/69/29/804796929.db2.gz CBVCYFRHFNGIOT-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP FC1CC2(C1)CCC[N@@H+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143026641 804796937 /nfs/dbraw/zinc/79/69/37/804796937.db2.gz CBVCYFRHFNGIOT-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)F)cc1 ZINC001143253661 804829163 /nfs/dbraw/zinc/82/91/63/804829163.db2.gz XVGIPGOXZQJHBU-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)F)cc1 ZINC001143253661 804829170 /nfs/dbraw/zinc/82/91/70/804829170.db2.gz XVGIPGOXZQJHBU-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4scnc4c3)CC2)c[nH+]1 ZINC001144743758 805051150 /nfs/dbraw/zinc/05/11/50/805051150.db2.gz YIUQHHCFWKVWOG-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249479028 805158092 /nfs/dbraw/zinc/15/80/92/805158092.db2.gz LMXIGPTWWHAWHL-UHFFFAOYSA-N 2 2 277.456 3.230 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249479028 805158096 /nfs/dbraw/zinc/15/80/96/805158096.db2.gz LMXIGPTWWHAWHL-UHFFFAOYSA-N 2 2 277.456 3.230 20 0 CGADLP c1cn(CCC2=CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC001250315339 805560809 /nfs/dbraw/zinc/56/08/09/805560809.db2.gz JNZRQZQAMAZPRK-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP c1cn(CCC2=CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC001250315339 805560820 /nfs/dbraw/zinc/56/08/20/805560820.db2.gz JNZRQZQAMAZPRK-UHFFFAOYSA-N 2 2 267.376 3.106 20 0 CGADLP Cc1cccc2c(C)cc(N3CCC(C4C[NH2+]C4)CC3)[nH+]c12 ZINC001165408805 807001665 /nfs/dbraw/zinc/00/16/65/807001665.db2.gz GVJLGJHDASANNY-UHFFFAOYSA-N 2 2 295.430 3.287 20 0 CGADLP CCC(CC)[NH+]1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC001257212193 807063060 /nfs/dbraw/zinc/06/30/60/807063060.db2.gz WXSRAKPKRAUJFE-UHFFFAOYSA-N 3 2 295.515 3.102 20 0 CGADLP Cc1c[nH+]c(-n2c3ccccc3cc2[C@H]2CCC[NH2+]2)cc1N ZINC001166654769 807075088 /nfs/dbraw/zinc/07/50/88/807075088.db2.gz MRDZFQHOONOIPO-OAHLLOKOSA-N 2 2 292.386 3.341 20 0 CGADLP CCC[C@@H](CC)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001257269900 807082397 /nfs/dbraw/zinc/08/23/97/807082397.db2.gz MLRCXKWYFGAHNV-CYBMUJFWSA-N 2 2 279.403 3.358 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257373749 807131095 /nfs/dbraw/zinc/13/10/95/807131095.db2.gz WLPOSHAENZMAIS-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257373749 807131099 /nfs/dbraw/zinc/13/10/99/807131099.db2.gz WLPOSHAENZMAIS-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001257373749 807131104 /nfs/dbraw/zinc/13/11/04/807131104.db2.gz WLPOSHAENZMAIS-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001257373749 807131108 /nfs/dbraw/zinc/13/11/08/807131108.db2.gz WLPOSHAENZMAIS-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001257423638 807148726 /nfs/dbraw/zinc/14/87/26/807148726.db2.gz SXJGQAWPJLNMEZ-INIZCTEOSA-N 2 2 290.455 3.184 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001257462789 807167984 /nfs/dbraw/zinc/16/79/84/807167984.db2.gz BUEIIFSLCLBCPQ-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP CCCCC[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001257520436 807192463 /nfs/dbraw/zinc/19/24/63/807192463.db2.gz TVAPSSKDCYHNET-HNNXBMFYSA-N 2 2 291.439 3.181 20 0 CGADLP CCCC[NH+](CCCC)CCNc1c[nH+]ccc1OC ZINC001167732986 807235178 /nfs/dbraw/zinc/23/51/78/807235178.db2.gz LCHRCHUIASCXGY-UHFFFAOYSA-N 2 2 279.428 3.404 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167918717 807274138 /nfs/dbraw/zinc/27/41/38/807274138.db2.gz YNVRODXBYFIGDZ-MHORFTMASA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167918717 807274139 /nfs/dbraw/zinc/27/41/39/807274139.db2.gz YNVRODXBYFIGDZ-MHORFTMASA-N 2 2 270.420 3.039 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C2 ZINC001258062334 807283342 /nfs/dbraw/zinc/28/33/42/807283342.db2.gz JZWWANMCQFCDDZ-ZIAGYGMSSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)C[C@H](C)CC(C)C)C2 ZINC001258062334 807283347 /nfs/dbraw/zinc/28/33/47/807283347.db2.gz JZWWANMCQFCDDZ-ZIAGYGMSSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]1CC([N@@H+]2CC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039488 807301806 /nfs/dbraw/zinc/30/18/06/807301806.db2.gz FYEPAEXEKYSQIP-BFYDXBDKSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1CC([N@H+]2CC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039488 807301813 /nfs/dbraw/zinc/30/18/13/807301813.db2.gz FYEPAEXEKYSQIP-BFYDXBDKSA-N 2 2 290.426 3.472 20 0 CGADLP COCC[N@H+]([C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001258094301 807302256 /nfs/dbraw/zinc/30/22/56/807302256.db2.gz KYCBCIFGEJAXTO-INIZCTEOSA-N 2 2 282.472 3.164 20 0 CGADLP COCC[N@@H+]([C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001258094301 807302263 /nfs/dbraw/zinc/30/22/63/807302263.db2.gz KYCBCIFGEJAXTO-INIZCTEOSA-N 2 2 282.472 3.164 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H](C)C1 ZINC001258156118 807324299 /nfs/dbraw/zinc/32/42/99/807324299.db2.gz MUFLHULUQQVLLA-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H](C)C1 ZINC001258156118 807324306 /nfs/dbraw/zinc/32/43/06/807324306.db2.gz MUFLHULUQQVLLA-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168190606 807341349 /nfs/dbraw/zinc/34/13/49/807341349.db2.gz ARTNHXCVDVJGQU-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168190606 807341355 /nfs/dbraw/zinc/34/13/55/807341355.db2.gz ARTNHXCVDVJGQU-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001258180811 807344258 /nfs/dbraw/zinc/34/42/58/807344258.db2.gz DKXDNEKUNNLYHS-WBVHZDCISA-N 2 2 290.451 3.455 20 0 CGADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001258180811 807344266 /nfs/dbraw/zinc/34/42/66/807344266.db2.gz DKXDNEKUNNLYHS-WBVHZDCISA-N 2 2 290.451 3.455 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001168442952 807415630 /nfs/dbraw/zinc/41/56/30/807415630.db2.gz YACOIYRDRKJBAC-GOSISDBHSA-N 2 2 299.393 3.217 20 0 CGADLP CSC(C)(C)C[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258341886 807418924 /nfs/dbraw/zinc/41/89/24/807418924.db2.gz OZYLTTNQOAWPSW-STQMWFEESA-N 2 2 281.469 3.443 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001168468756 807427832 /nfs/dbraw/zinc/42/78/32/807427832.db2.gz OCTWGBGLDNWHJD-CVEARBPZSA-N 2 2 292.442 3.467 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001258396112 807438909 /nfs/dbraw/zinc/43/89/09/807438909.db2.gz MZBJIGAMBCONME-QAPCUYQASA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001258396112 807438914 /nfs/dbraw/zinc/43/89/14/807438914.db2.gz MZBJIGAMBCONME-QAPCUYQASA-N 2 2 290.451 3.090 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258443432 807453137 /nfs/dbraw/zinc/45/31/37/807453137.db2.gz MIXKIIHFDQFGDC-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258443432 807453140 /nfs/dbraw/zinc/45/31/40/807453140.db2.gz MIXKIIHFDQFGDC-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258443432 807453142 /nfs/dbraw/zinc/45/31/42/807453142.db2.gz MIXKIIHFDQFGDC-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258443432 807453145 /nfs/dbraw/zinc/45/31/45/807453145.db2.gz MIXKIIHFDQFGDC-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cc[nH+]cc2)CC(C)(C)C1 ZINC001258694979 807551018 /nfs/dbraw/zinc/55/10/18/807551018.db2.gz XPFLKLHQZWDHPS-ZIAGYGMSSA-N 2 2 262.397 3.265 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001169091879 807572190 /nfs/dbraw/zinc/57/21/90/807572190.db2.gz WVSPUXUSDVWCCH-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001169091879 807572193 /nfs/dbraw/zinc/57/21/93/807572193.db2.gz WVSPUXUSDVWCCH-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169137562 807587087 /nfs/dbraw/zinc/58/70/87/807587087.db2.gz CVPBXDISBZKSME-QDMKHBRRSA-N 2 2 278.827 3.397 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169137562 807587093 /nfs/dbraw/zinc/58/70/93/807587093.db2.gz CVPBXDISBZKSME-QDMKHBRRSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169137562 807587096 /nfs/dbraw/zinc/58/70/96/807587096.db2.gz CVPBXDISBZKSME-QDMKHBRRSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169137562 807587102 /nfs/dbraw/zinc/58/71/02/807587102.db2.gz CVPBXDISBZKSME-QDMKHBRRSA-N 2 2 278.827 3.397 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258752740 807593748 /nfs/dbraw/zinc/59/37/48/807593748.db2.gz GRMGIYHZWDJIDR-AWEZNQCLSA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169154472 807595919 /nfs/dbraw/zinc/59/59/19/807595919.db2.gz QXDJRLDRXSMMLT-UUAJXVIYSA-N 2 2 262.441 3.266 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169154472 807595922 /nfs/dbraw/zinc/59/59/22/807595922.db2.gz QXDJRLDRXSMMLT-UUAJXVIYSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169154472 807595926 /nfs/dbraw/zinc/59/59/26/807595926.db2.gz QXDJRLDRXSMMLT-UUAJXVIYSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC001169154472 807595927 /nfs/dbraw/zinc/59/59/27/807595927.db2.gz QXDJRLDRXSMMLT-UUAJXVIYSA-N 2 2 262.441 3.266 20 0 CGADLP CCCC[C@@H](CCC)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258764229 807599829 /nfs/dbraw/zinc/59/98/29/807599829.db2.gz MLCLXHHEYNXGCY-IAGOWNOFSA-N 2 2 282.472 3.142 20 0 CGADLP CCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258764229 807599831 /nfs/dbraw/zinc/59/98/31/807599831.db2.gz MLCLXHHEYNXGCY-IAGOWNOFSA-N 2 2 282.472 3.142 20 0 CGADLP CC[C@H](C)C[C@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258790896 807615635 /nfs/dbraw/zinc/61/56/35/807615635.db2.gz OANAAOOLPDCQFW-JSGCOSHPSA-N 2 2 263.429 3.267 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258797389 807619274 /nfs/dbraw/zinc/61/92/74/807619274.db2.gz MHENJNKJVUYORM-HUUCEWRRSA-N 2 2 251.418 3.420 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258797389 807619278 /nfs/dbraw/zinc/61/92/78/807619278.db2.gz MHENJNKJVUYORM-HUUCEWRRSA-N 2 2 251.418 3.420 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC001169282523 807621616 /nfs/dbraw/zinc/62/16/16/807621616.db2.gz DPUYZQTUFIZQKN-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC001169282523 807621622 /nfs/dbraw/zinc/62/16/22/807621622.db2.gz DPUYZQTUFIZQKN-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001258802343 807622812 /nfs/dbraw/zinc/62/28/12/807622812.db2.gz YBBAMRJQADBQGB-UHFFFAOYSA-N 2 2 262.397 3.265 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(N)[nH+]ccc1F ZINC001169695114 807688931 /nfs/dbraw/zinc/68/89/31/807688931.db2.gz GDSWJWJLOYCTFB-CYBMUJFWSA-N 2 2 286.354 3.043 20 0 CGADLP CNc1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c[nH+]1 ZINC001169696181 807689207 /nfs/dbraw/zinc/68/92/07/807689207.db2.gz KCXNQSLECNHBKM-HNNXBMFYSA-N 2 2 282.391 3.363 20 0 CGADLP COc1cc[nH+]cc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169699104 807690389 /nfs/dbraw/zinc/69/03/89/807690389.db2.gz VBFQVZIPSOWBKN-CQSZACIVSA-N 2 2 283.375 3.330 20 0 CGADLP Cc1cc(NC(C)(C)CC[NH+](C)C)cc(OC(F)F)[nH+]1 ZINC001169717353 807696283 /nfs/dbraw/zinc/69/62/83/807696283.db2.gz BVKVAJHMDVJHLA-UHFFFAOYSA-N 2 2 287.354 3.134 20 0 CGADLP Cc1cc2cc(NC(C)(C)CC[NH+](C)C)[nH+]cc2[nH]1 ZINC001169716748 807696582 /nfs/dbraw/zinc/69/65/82/807696582.db2.gz WDVGXGXXMYKVQK-UHFFFAOYSA-N 2 2 260.385 3.014 20 0 CGADLP Cc1[nH+]cn(C)c1Nc1cccc2[nH+]c(C)ccc12 ZINC001212795937 815142131 /nfs/dbraw/zinc/14/21/31/815142131.db2.gz JWOZMCOBGKAYFA-UHFFFAOYSA-N 2 2 252.321 3.329 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001170087992 807752093 /nfs/dbraw/zinc/75/20/93/807752093.db2.gz NJHMXOMKRNIFDP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001170087992 807752098 /nfs/dbraw/zinc/75/20/98/807752098.db2.gz NJHMXOMKRNIFDP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001170087992 807752103 /nfs/dbraw/zinc/75/21/03/807752103.db2.gz NJHMXOMKRNIFDP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001170087992 807752109 /nfs/dbraw/zinc/75/21/09/807752109.db2.gz NJHMXOMKRNIFDP-JYJNAYRXSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccccc1Cl ZINC001170293463 807818966 /nfs/dbraw/zinc/81/89/66/807818966.db2.gz LJLFBTATSKAJHA-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccccc1Cl ZINC001170293463 807818975 /nfs/dbraw/zinc/81/89/75/807818975.db2.gz LJLFBTATSKAJHA-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170895342 807927045 /nfs/dbraw/zinc/92/70/45/807927045.db2.gz CTFLCYJNFRUOGR-HIFRSBDPSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1[nH+]cn([C@H]2CCc3c(Cl)cccc3C2)c1CC[NH3+] ZINC001171018016 807961274 /nfs/dbraw/zinc/96/12/74/807961274.db2.gz PFRSSMDUCRHEBN-ZDUSSCGKSA-N 2 2 289.810 3.076 20 0 CGADLP Fc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171437991 808056727 /nfs/dbraw/zinc/05/67/27/808056727.db2.gz OOGCKGKLSQYVNR-LSDHHAIUSA-N 2 2 299.393 3.219 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785644 808139159 /nfs/dbraw/zinc/13/91/59/808139159.db2.gz QXTMBNUTOQFFRU-LSDHHAIUSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171785644 808139161 /nfs/dbraw/zinc/13/91/61/808139161.db2.gz QXTMBNUTOQFFRU-LSDHHAIUSA-N 2 2 290.426 3.003 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC001171958337 808159305 /nfs/dbraw/zinc/15/93/05/808159305.db2.gz VSHSYBHORUOUEQ-GFCCVEGCSA-N 2 2 297.324 3.123 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]2F)CC[N@@H+]1Cc1ccccc1 ZINC001171971743 808163303 /nfs/dbraw/zinc/16/33/03/808163303.db2.gz JTRRIDDIXXTGMF-BZUAXINKSA-N 2 2 276.399 3.130 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]2F)CC[N@H+]1Cc1ccccc1 ZINC001171971743 808163307 /nfs/dbraw/zinc/16/33/07/808163307.db2.gz JTRRIDDIXXTGMF-BZUAXINKSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC001172366973 808262365 /nfs/dbraw/zinc/26/23/65/808262365.db2.gz IQQYNFWDCMWLIV-VNHYZAJKSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383795 808276873 /nfs/dbraw/zinc/27/68/73/808276873.db2.gz RYPUSNGXUWNSSU-BPKGMFCQSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@@H]1C ZINC001172383795 808276878 /nfs/dbraw/zinc/27/68/78/808276878.db2.gz RYPUSNGXUWNSSU-BPKGMFCQSA-N 2 2 282.447 3.319 20 0 CGADLP CC(C)OCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172433059 808309283 /nfs/dbraw/zinc/30/92/83/808309283.db2.gz FVVVYIMSMKSNCJ-HNNXBMFYSA-N 2 2 287.407 3.166 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538260 808370295 /nfs/dbraw/zinc/37/02/95/808370295.db2.gz NUTLGEWROIVJSE-HZPDHXFCSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564317 808390533 /nfs/dbraw/zinc/39/05/33/808390533.db2.gz UYEGIOUORGMKDB-SJORKVTESA-N 2 2 281.403 3.343 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564317 808390541 /nfs/dbraw/zinc/39/05/41/808390541.db2.gz UYEGIOUORGMKDB-SJORKVTESA-N 2 2 281.403 3.343 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172714776 808416494 /nfs/dbraw/zinc/41/64/94/808416494.db2.gz CSKWGWSWXDTSOC-IRXDYDNUSA-N 2 2 292.854 3.127 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172714776 808416498 /nfs/dbraw/zinc/41/64/98/808416498.db2.gz CSKWGWSWXDTSOC-IRXDYDNUSA-N 2 2 292.854 3.127 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001172832240 808450832 /nfs/dbraw/zinc/45/08/32/808450832.db2.gz RPYQIERCPZTSMK-MOPGFXCFSA-N 2 2 286.463 3.172 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001172832240 808450839 /nfs/dbraw/zinc/45/08/39/808450839.db2.gz RPYQIERCPZTSMK-MOPGFXCFSA-N 2 2 286.463 3.172 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172840713 808456434 /nfs/dbraw/zinc/45/64/34/808456434.db2.gz FMXRVXVXZNNPGH-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172840713 808456439 /nfs/dbraw/zinc/45/64/39/808456439.db2.gz FMXRVXVXZNNPGH-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172866537 808469284 /nfs/dbraw/zinc/46/92/84/808469284.db2.gz UMHZFAUUEFOMMW-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172866537 808469287 /nfs/dbraw/zinc/46/92/87/808469287.db2.gz UMHZFAUUEFOMMW-MLGOLLRUSA-N 2 2 298.833 3.484 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)C1 ZINC001173280564 808582399 /nfs/dbraw/zinc/58/23/99/808582399.db2.gz UUIHXODSWMLABZ-MTNOOBJLSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282857 808583642 /nfs/dbraw/zinc/58/36/42/808583642.db2.gz RHXVPYWZAMMGTC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282857 808583645 /nfs/dbraw/zinc/58/36/45/808583645.db2.gz RHXVPYWZAMMGTC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282857 808583653 /nfs/dbraw/zinc/58/36/53/808583653.db2.gz RHXVPYWZAMMGTC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001173282857 808583660 /nfs/dbraw/zinc/58/36/60/808583660.db2.gz RHXVPYWZAMMGTC-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP Cc1[nH]c2ccc(Nc3ccnn3-c3cc[nH+]cc3)cc2[nH+]1 ZINC001213072398 815221662 /nfs/dbraw/zinc/22/16/62/815221662.db2.gz RJHOLIVNBOACFM-UHFFFAOYSA-N 2 2 290.330 3.196 20 0 CGADLP Cc1cn2cccc(Nc3ccccc3C[NH+](C)C)c2[nH+]1 ZINC001173929244 808768357 /nfs/dbraw/zinc/76/83/57/808768357.db2.gz MRVJIGQNHGSRDH-UHFFFAOYSA-N 2 2 280.375 3.448 20 0 CGADLP C[NH+](C)CCOc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174411456 809004339 /nfs/dbraw/zinc/00/43/39/809004339.db2.gz ZLVKVZBONQPJLR-UHFFFAOYSA-N 2 2 296.374 3.199 20 0 CGADLP C[NH+](C)CCc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174412715 809006553 /nfs/dbraw/zinc/00/65/53/809006553.db2.gz CXORMMCSNKUXIQ-UHFFFAOYSA-N 2 2 280.375 3.362 20 0 CGADLP Cc1c[nH+]cc(Nc2cc[nH+]c(N3CCCC3)c2)c1C ZINC001213527242 815298999 /nfs/dbraw/zinc/29/89/99/815298999.db2.gz DLNFLTGZNJVERU-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(OCC[NH+](C)C)cc2)c1C ZINC001213530615 815299726 /nfs/dbraw/zinc/29/97/26/815299726.db2.gz HAHDRSRLNLWOJY-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP CCOc1cc[nH+]cc1Nc1ccc(C[NH+](C)C)cc1 ZINC001176291514 809663373 /nfs/dbraw/zinc/66/33/73/809663373.db2.gz CALOBFOCEJDRCG-UHFFFAOYSA-N 2 2 271.364 3.286 20 0 CGADLP COC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCCCC1 ZINC001179169345 809908619 /nfs/dbraw/zinc/90/86/19/809908619.db2.gz YDJAOYRITMXUHO-QGZVFWFLSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCCCC1 ZINC001179169345 809908623 /nfs/dbraw/zinc/90/86/23/809908623.db2.gz YDJAOYRITMXUHO-QGZVFWFLSA-N 2 2 294.483 3.332 20 0 CGADLP CCC[NH+]1CCC(CNc2cc(CC)[nH+]c(CC)n2)CC1 ZINC001185211876 810245022 /nfs/dbraw/zinc/24/50/22/810245022.db2.gz HZMQGFPXSTUFIZ-UHFFFAOYSA-N 2 2 290.455 3.135 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001200751405 811739847 /nfs/dbraw/zinc/73/98/47/811739847.db2.gz OOESOIPPIDESPY-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001200751405 811739854 /nfs/dbraw/zinc/73/98/54/811739854.db2.gz OOESOIPPIDESPY-CQSZACIVSA-N 2 2 250.430 3.031 20 0 CGADLP CCc1cccc(Nc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001201392241 811825934 /nfs/dbraw/zinc/82/59/34/811825934.db2.gz WWGCHLZXGFVIKC-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP CCc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001203326127 812312472 /nfs/dbraw/zinc/31/24/72/812312472.db2.gz AEEKKIDBYASLLF-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001203326127 812312480 /nfs/dbraw/zinc/31/24/80/812312480.db2.gz AEEKKIDBYASLLF-SFHVURJKSA-N 2 2 272.436 3.356 20 0 CGADLP CCO[C@H](C[NH2+]Cc1c(C)cc(Cl)cc1C)C[NH+](C)C ZINC001203634094 812412225 /nfs/dbraw/zinc/41/22/25/812412225.db2.gz PVXHSFIASAAXKH-OAHLLOKOSA-N 2 2 298.858 3.013 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999349 812514833 /nfs/dbraw/zinc/51/48/33/812514833.db2.gz CCXUQQCQZAAYDG-OALUTQOASA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999349 812514838 /nfs/dbraw/zinc/51/48/38/812514838.db2.gz CCXUQQCQZAAYDG-OALUTQOASA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999349 812514842 /nfs/dbraw/zinc/51/48/42/812514842.db2.gz CCXUQQCQZAAYDG-OALUTQOASA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]21 ZINC001203999349 812514847 /nfs/dbraw/zinc/51/48/47/812514847.db2.gz CCXUQQCQZAAYDG-OALUTQOASA-N 2 2 280.415 3.366 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999351 812514894 /nfs/dbraw/zinc/51/48/94/812514894.db2.gz CCXUQQCQZAAYDG-RTBURBONSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999351 812514896 /nfs/dbraw/zinc/51/48/96/812514896.db2.gz CCXUQQCQZAAYDG-RTBURBONSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999351 812514901 /nfs/dbraw/zinc/51/49/01/812514901.db2.gz CCXUQQCQZAAYDG-RTBURBONSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999351 812514903 /nfs/dbraw/zinc/51/49/03/812514903.db2.gz CCXUQQCQZAAYDG-RTBURBONSA-N 2 2 280.415 3.366 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(C)c1F ZINC001204111503 812551027 /nfs/dbraw/zinc/55/10/27/812551027.db2.gz WISNFURBNAALSQ-AWEZNQCLSA-N 2 2 266.404 3.344 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)o1 ZINC001204395327 812628215 /nfs/dbraw/zinc/62/82/15/812628215.db2.gz MLZURRGCRJTJBM-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CCc1ccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)o1 ZINC001204395327 812628216 /nfs/dbraw/zinc/62/82/16/812628216.db2.gz MLZURRGCRJTJBM-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)oc1C ZINC001204541641 812673892 /nfs/dbraw/zinc/67/38/92/812673892.db2.gz NWNUQAUVUFDHMZ-MRXNPFEDSA-N 2 2 286.375 3.335 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCC[NH2+]CC3)ccc1-2 ZINC001204667360 812704318 /nfs/dbraw/zinc/70/43/18/812704318.db2.gz JLKWIHRJNQBMMX-UHFFFAOYSA-N 2 2 278.399 3.053 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3CCC[NH2+]CC3)ccc1-2 ZINC001204667360 812704321 /nfs/dbraw/zinc/70/43/21/812704321.db2.gz JLKWIHRJNQBMMX-UHFFFAOYSA-N 2 2 278.399 3.053 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(Cl)cc1 ZINC001204698595 812711501 /nfs/dbraw/zinc/71/15/01/812711501.db2.gz AISHTIQJQITABD-UHFFFAOYSA-N 2 2 274.795 3.398 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(Cl)cc1 ZINC001204698595 812711507 /nfs/dbraw/zinc/71/15/07/812711507.db2.gz AISHTIQJQITABD-UHFFFAOYSA-N 2 2 274.795 3.398 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2cccc(C(F)(F)F)c2)CC12CC2 ZINC001204904722 812771445 /nfs/dbraw/zinc/77/14/45/812771445.db2.gz YDISJMUHRPFAEF-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2cccc(C(F)(F)F)c2)CC12CC2 ZINC001204904722 812771448 /nfs/dbraw/zinc/77/14/48/812771448.db2.gz YDISJMUHRPFAEF-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)s1 ZINC001204937807 812785151 /nfs/dbraw/zinc/78/51/51/812785151.db2.gz GTHJIHLIAYZTIM-CQSZACIVSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)s1 ZINC001204937807 812785154 /nfs/dbraw/zinc/78/51/54/812785154.db2.gz GTHJIHLIAYZTIM-CQSZACIVSA-N 2 2 252.427 3.014 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)cc2c1 ZINC001204947277 812793169 /nfs/dbraw/zinc/79/31/69/812793169.db2.gz XCRAZMXUTIIFNT-MRXNPFEDSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@@](C)([NH3+])C3)cc2c1 ZINC001204947277 812793173 /nfs/dbraw/zinc/79/31/73/812793173.db2.gz XCRAZMXUTIIFNT-MRXNPFEDSA-N 2 2 290.432 3.223 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c(Cl)c1 ZINC001205015762 812825675 /nfs/dbraw/zinc/82/56/75/812825675.db2.gz FEBVQFWVERLTQV-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c(Cl)c1 ZINC001205015762 812825681 /nfs/dbraw/zinc/82/56/81/812825681.db2.gz FEBVQFWVERLTQV-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP COc1ccc2sc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205083079 812854146 /nfs/dbraw/zinc/85/41/46/812854146.db2.gz ONJIPORHQTZDIL-AAEUAGOBSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205083079 812854157 /nfs/dbraw/zinc/85/41/57/812854157.db2.gz ONJIPORHQTZDIL-AAEUAGOBSA-N 2 2 290.432 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205101521 812865024 /nfs/dbraw/zinc/86/50/24/812865024.db2.gz HUWKSKXONJVHMW-LLVKDONJSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205101521 812865030 /nfs/dbraw/zinc/86/50/30/812865030.db2.gz HUWKSKXONJVHMW-LLVKDONJSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205339476 812961612 /nfs/dbraw/zinc/96/16/12/812961612.db2.gz JJHDPSKJDIHLPJ-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)c1 ZINC001205339476 812961619 /nfs/dbraw/zinc/96/16/19/812961619.db2.gz JJHDPSKJDIHLPJ-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCC[C@H]1C ZINC001205435056 812982536 /nfs/dbraw/zinc/98/25/36/812982536.db2.gz UUMNAVJZKPWKCA-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@H+](Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC001205611792 813024219 /nfs/dbraw/zinc/02/42/19/813024219.db2.gz AMFHETOWHDDOIG-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC001205611792 813024227 /nfs/dbraw/zinc/02/42/27/813024227.db2.gz AMFHETOWHDDOIG-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCc2ccccc2Cl)C1 ZINC001205803524 813084877 /nfs/dbraw/zinc/08/48/77/813084877.db2.gz HNGAJWDJPZDYLF-UKRRQHHQSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205803524 813084885 /nfs/dbraw/zinc/08/48/85/813084885.db2.gz HNGAJWDJPZDYLF-UKRRQHHQSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806314 813087831 /nfs/dbraw/zinc/08/78/31/813087831.db2.gz TWZGGQHPAZLKFQ-FZMZJTMJSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806314 813087838 /nfs/dbraw/zinc/08/78/38/813087838.db2.gz TWZGGQHPAZLKFQ-FZMZJTMJSA-N 2 2 286.341 3.265 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856574 813110496 /nfs/dbraw/zinc/11/04/96/813110496.db2.gz WWWZHTPCHCYEOB-YOEHRIQHSA-N 2 2 260.425 3.369 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205856574 813110501 /nfs/dbraw/zinc/11/05/01/813110501.db2.gz WWWZHTPCHCYEOB-YOEHRIQHSA-N 2 2 260.425 3.369 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC001205902706 813124066 /nfs/dbraw/zinc/12/40/66/813124066.db2.gz LAJVQESFZPVIIE-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(Cl)c1F ZINC001205902706 813124070 /nfs/dbraw/zinc/12/40/70/813124070.db2.gz LAJVQESFZPVIIE-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205922869 813134084 /nfs/dbraw/zinc/13/40/84/813134084.db2.gz CNUPIHQVPLSUOJ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205922869 813134089 /nfs/dbraw/zinc/13/40/89/813134089.db2.gz CNUPIHQVPLSUOJ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205937995 813140918 /nfs/dbraw/zinc/14/09/18/813140918.db2.gz DMAJJIAKSFWZRA-AWEZNQCLSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205937995 813140921 /nfs/dbraw/zinc/14/09/21/813140921.db2.gz DMAJJIAKSFWZRA-AWEZNQCLSA-N 2 2 264.438 3.112 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC001205939624 813141879 /nfs/dbraw/zinc/14/18/79/813141879.db2.gz SRGKBPOJBLULPT-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC001205939624 813141882 /nfs/dbraw/zinc/14/18/82/813141882.db2.gz SRGKBPOJBLULPT-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206058616 813185982 /nfs/dbraw/zinc/18/59/82/813185982.db2.gz JTIGSZFQNCHQBO-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206058616 813185985 /nfs/dbraw/zinc/18/59/85/813185985.db2.gz JTIGSZFQNCHQBO-AUUYWEPGSA-N 2 2 296.414 3.141 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206210522 813240867 /nfs/dbraw/zinc/24/08/67/813240867.db2.gz KOBSJIVVONGQBN-STQMWFEESA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206210522 813240869 /nfs/dbraw/zinc/24/08/69/813240869.db2.gz KOBSJIVVONGQBN-STQMWFEESA-N 2 2 288.769 3.049 20 0 CGADLP C[C@]1(F)CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206406161 813314803 /nfs/dbraw/zinc/31/48/03/813314803.db2.gz VNFFKVIHDZQDRL-HNNXBMFYSA-N 2 2 256.409 3.123 20 0 CGADLP C[C@]1(F)CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206406161 813314811 /nfs/dbraw/zinc/31/48/11/813314811.db2.gz VNFFKVIHDZQDRL-HNNXBMFYSA-N 2 2 256.409 3.123 20 0 CGADLP C[C@@]1(F)CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206406162 813314916 /nfs/dbraw/zinc/31/49/16/813314916.db2.gz VNFFKVIHDZQDRL-OAHLLOKOSA-N 2 2 256.409 3.123 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206406162 813314924 /nfs/dbraw/zinc/31/49/24/813314924.db2.gz VNFFKVIHDZQDRL-OAHLLOKOSA-N 2 2 256.409 3.123 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC001206475555 813330518 /nfs/dbraw/zinc/33/05/18/813330518.db2.gz CXVOORDOLVJKLV-MOPGFXCFSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C ZINC001206475555 813330524 /nfs/dbraw/zinc/33/05/24/813330524.db2.gz CXVOORDOLVJKLV-MOPGFXCFSA-N 2 2 286.463 3.452 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CS1 ZINC001206661047 813392325 /nfs/dbraw/zinc/39/23/25/813392325.db2.gz NPCKUAUCCDRUSQ-ARFHVFGLSA-N 2 2 284.513 3.227 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206769433 813431899 /nfs/dbraw/zinc/43/18/99/813431899.db2.gz PDJBNQSDFRYGTI-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206769433 813431903 /nfs/dbraw/zinc/43/19/03/813431903.db2.gz PDJBNQSDFRYGTI-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC001206776904 813435372 /nfs/dbraw/zinc/43/53/72/813435372.db2.gz IUGSNRSMESAXAI-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC001206776904 813435381 /nfs/dbraw/zinc/43/53/81/813435381.db2.gz IUGSNRSMESAXAI-GOEBONIOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207522243 813586099 /nfs/dbraw/zinc/58/60/99/813586099.db2.gz CBPJYPCCQMYWEN-RTBURBONSA-N 2 2 286.463 3.379 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207522243 813586101 /nfs/dbraw/zinc/58/61/01/813586101.db2.gz CBPJYPCCQMYWEN-RTBURBONSA-N 2 2 286.463 3.379 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001207837873 813658422 /nfs/dbraw/zinc/65/84/22/813658422.db2.gz UWTSAWBPNWFNMS-UHFFFAOYSA-N 2 2 292.471 3.125 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001207837873 813658428 /nfs/dbraw/zinc/65/84/28/813658428.db2.gz UWTSAWBPNWFNMS-UHFFFAOYSA-N 2 2 292.471 3.125 20 0 CGADLP F[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935454 813905037 /nfs/dbraw/zinc/90/50/37/813905037.db2.gz JLLCAGDIZYULDL-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935454 813905041 /nfs/dbraw/zinc/90/50/41/813905041.db2.gz JLLCAGDIZYULDL-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208935454 813905046 /nfs/dbraw/zinc/90/50/46/813905046.db2.gz JLLCAGDIZYULDL-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208935454 813905053 /nfs/dbraw/zinc/90/50/53/813905053.db2.gz JLLCAGDIZYULDL-QZTJIDSGSA-N 2 2 290.426 3.333 20 0 CGADLP CC1(c2ccccc2)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209733011 814124076 /nfs/dbraw/zinc/12/40/76/814124076.db2.gz OTLGPKFVRTWDTK-UHFFFAOYSA-N 2 2 281.403 3.048 20 0 CGADLP CC[NH+](CC)Cc1ccc(Nc2[nH+]cccc2N)cc1 ZINC001209821431 814154359 /nfs/dbraw/zinc/15/43/59/814154359.db2.gz NCJAWEMJMGPQND-UHFFFAOYSA-N 2 2 270.380 3.249 20 0 CGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847307 814163813 /nfs/dbraw/zinc/16/38/13/814163813.db2.gz BMVSFEYWNXIQLZ-UHFFFAOYSA-N 2 2 281.294 3.402 20 0 CGADLP CCCCCCc1csc(C[NH+]2CC(C[NH3+])C2)c1 ZINC001210543569 814517684 /nfs/dbraw/zinc/51/76/84/814517684.db2.gz FPROREOHGDXGAW-UHFFFAOYSA-N 2 2 266.454 3.261 20 0 CGADLP CCOc1cc[nH+]cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706760 814590881 /nfs/dbraw/zinc/59/08/81/814590881.db2.gz ZOILVHQOHSMTAQ-OAHLLOKOSA-N 2 2 287.407 3.424 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC001216223223 815742662 /nfs/dbraw/zinc/74/26/62/815742662.db2.gz MTBKJBIWANMMEW-UHFFFAOYSA-N 2 2 296.349 3.474 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160260 816364183 /nfs/dbraw/zinc/36/41/83/816364183.db2.gz DILWUUMTOKKATO-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160260 816364190 /nfs/dbraw/zinc/36/41/90/816364190.db2.gz DILWUUMTOKKATO-INIZCTEOSA-N 2 2 293.480 3.197 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237789 816382417 /nfs/dbraw/zinc/38/24/17/816382417.db2.gz TUYXDCLRUFALKX-MRXNPFEDSA-N 2 2 276.449 3.127 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237789 816382426 /nfs/dbraw/zinc/38/24/26/816382426.db2.gz TUYXDCLRUFALKX-MRXNPFEDSA-N 2 2 276.449 3.127 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001222242611 816385126 /nfs/dbraw/zinc/38/51/26/816385126.db2.gz FWDUFUDQWPKUQP-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2c1 ZINC001222242611 816385134 /nfs/dbraw/zinc/38/51/34/816385134.db2.gz FWDUFUDQWPKUQP-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222242129 816385193 /nfs/dbraw/zinc/38/51/93/816385193.db2.gz AYVMJNICQOYLEL-SFHVURJKSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222242129 816385201 /nfs/dbraw/zinc/38/52/01/816385201.db2.gz AYVMJNICQOYLEL-SFHVURJKSA-N 2 2 288.435 3.192 20 0 CGADLP c1ccc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282480 816395373 /nfs/dbraw/zinc/39/53/73/816395373.db2.gz KCBDNMYNRNYADK-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]4)C3)ccc2c1 ZINC001222282480 816395380 /nfs/dbraw/zinc/39/53/80/816395380.db2.gz KCBDNMYNRNYADK-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345242 816413670 /nfs/dbraw/zinc/41/36/70/816413670.db2.gz JUIFHVHSILEZDJ-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345242 816413677 /nfs/dbraw/zinc/41/36/77/816413677.db2.gz JUIFHVHSILEZDJ-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)o1 ZINC001222379504 816423261 /nfs/dbraw/zinc/42/32/61/816423261.db2.gz BNNBZADYHLYHIJ-UHFFFAOYSA-N 2 2 282.387 3.050 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)s1 ZINC001222390350 816428241 /nfs/dbraw/zinc/42/82/41/816428241.db2.gz NYJRPLCLAZTITK-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)s1 ZINC001222390350 816428244 /nfs/dbraw/zinc/42/82/44/816428244.db2.gz NYJRPLCLAZTITK-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)sc1C ZINC001222396552 816432167 /nfs/dbraw/zinc/43/21/67/816432167.db2.gz SLOJMTDDVGTUJU-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)sc1C ZINC001222396552 816432172 /nfs/dbraw/zinc/43/21/72/816432172.db2.gz SLOJMTDDVGTUJU-MRXNPFEDSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)sc1C ZINC001222396551 816432911 /nfs/dbraw/zinc/43/29/11/816432911.db2.gz SLOJMTDDVGTUJU-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)sc1C ZINC001222396551 816432914 /nfs/dbraw/zinc/43/29/14/816432914.db2.gz SLOJMTDDVGTUJU-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2c(c1)CCCC2 ZINC001222436733 816445109 /nfs/dbraw/zinc/44/51/09/816445109.db2.gz ZDFMDYSGQPRKFM-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2c(c1)CCCC2 ZINC001222436733 816445116 /nfs/dbraw/zinc/44/51/16/816445116.db2.gz ZDFMDYSGQPRKFM-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222471508 816451996 /nfs/dbraw/zinc/45/19/96/816451996.db2.gz QDMHODQUWDMCKS-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222471508 816451999 /nfs/dbraw/zinc/45/19/99/816451999.db2.gz QDMHODQUWDMCKS-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[NH+](C)CC[C@H](Oc1cc[nH+]cc1)c1cccs1 ZINC001225290952 816997284 /nfs/dbraw/zinc/99/72/84/816997284.db2.gz LSQSLTYFBLOKBW-ZDUSSCGKSA-N 2 2 262.378 3.215 20 0 CGADLP Cc1[nH]c2ccc(OC3CCC([NH+](C)C)CC3)cc2[nH+]1 ZINC001228326708 817878086 /nfs/dbraw/zinc/87/80/86/817878086.db2.gz KXVZHZNNNBHOOQ-UHFFFAOYSA-N 2 2 273.380 3.123 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)s1 ZINC001231501397 818113668 /nfs/dbraw/zinc/11/36/68/818113668.db2.gz YDGYICXIDZDGSS-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001231785799 818175213 /nfs/dbraw/zinc/17/52/13/818175213.db2.gz GAUPVVJFAVUFCX-UHFFFAOYSA-N 2 2 290.476 3.467 20 0 CGADLP CSc1ccccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001231785799 818175215 /nfs/dbraw/zinc/17/52/15/818175215.db2.gz GAUPVVJFAVUFCX-UHFFFAOYSA-N 2 2 290.476 3.467 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccccc2SC)CC1 ZINC001231788475 818176991 /nfs/dbraw/zinc/17/69/91/818176991.db2.gz YDFITSSVSYBRAA-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2SC)CC1 ZINC001231788475 818176995 /nfs/dbraw/zinc/17/69/95/818176995.db2.gz YDFITSSVSYBRAA-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(F)c1F ZINC001232016799 818236439 /nfs/dbraw/zinc/23/64/39/818236439.db2.gz HXBSLPMMBYNBMK-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(F)c1F ZINC001232016799 818236444 /nfs/dbraw/zinc/23/64/44/818236444.db2.gz HXBSLPMMBYNBMK-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP Cc1cccc(C[N@H+]2CCc3[nH+]ccn3CC2)c1OC(C)C ZINC001232394664 818337136 /nfs/dbraw/zinc/33/71/36/818337136.db2.gz JELQLGYGOUEQGL-UHFFFAOYSA-N 2 2 299.418 3.037 20 0 CGADLP Cc1cccc(C[N@@H+]2CCc3[nH+]ccn3CC2)c1OC(C)C ZINC001232394664 818337143 /nfs/dbraw/zinc/33/71/43/818337143.db2.gz JELQLGYGOUEQGL-UHFFFAOYSA-N 2 2 299.418 3.037 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc2c1CCCC2 ZINC001232641072 818410844 /nfs/dbraw/zinc/41/08/44/818410844.db2.gz VTLOOCWZSXYKRS-UHFFFAOYSA-N 2 2 283.419 3.284 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc2c1CCCC2 ZINC001232641072 818410847 /nfs/dbraw/zinc/41/08/47/818410847.db2.gz VTLOOCWZSXYKRS-UHFFFAOYSA-N 2 2 283.419 3.284 20 0 CGADLP CNc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001232667711 818413558 /nfs/dbraw/zinc/41/35/58/818413558.db2.gz DARIFVGSVZQEBS-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985657 818492446 /nfs/dbraw/zinc/49/24/46/818492446.db2.gz JPVWLOFWNXLODL-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985657 818492450 /nfs/dbraw/zinc/49/24/50/818492450.db2.gz JPVWLOFWNXLODL-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985657 818492457 /nfs/dbraw/zinc/49/24/57/818492457.db2.gz JPVWLOFWNXLODL-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985657 818492461 /nfs/dbraw/zinc/49/24/61/818492461.db2.gz JPVWLOFWNXLODL-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP CC(C)[N@H+](Cc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC001233377776 818603160 /nfs/dbraw/zinc/60/31/60/818603160.db2.gz SFTAZKTUSSAEHT-UHFFFAOYSA-N 2 2 295.858 3.227 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC001233377776 818603163 /nfs/dbraw/zinc/60/31/63/818603163.db2.gz SFTAZKTUSSAEHT-UHFFFAOYSA-N 2 2 295.858 3.227 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH+]3CCC3)CC2)sc1C ZINC001233709282 818687895 /nfs/dbraw/zinc/68/78/95/818687895.db2.gz HKMAQSIOXXEAMK-UHFFFAOYSA-N 2 2 264.438 3.035 20 0 CGADLP COc1cc(C[N@@H+]2C[C@@H](C)CC23CC3)ccc1-n1cc[nH+]c1 ZINC001234085504 818775332 /nfs/dbraw/zinc/77/53/32/818775332.db2.gz USBRQTFQYKIOAB-AWEZNQCLSA-N 2 2 297.402 3.255 20 0 CGADLP COc1cc(C[N@H+]2C[C@@H](C)CC23CC3)ccc1-n1cc[nH+]c1 ZINC001234085504 818775340 /nfs/dbraw/zinc/77/53/40/818775340.db2.gz USBRQTFQYKIOAB-AWEZNQCLSA-N 2 2 297.402 3.255 20 0 CGADLP Cc1csc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC001234994723 818972285 /nfs/dbraw/zinc/97/22/85/818972285.db2.gz VVEHPGDKBZWXHV-CQSZACIVSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1csc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC001234994723 818972290 /nfs/dbraw/zinc/97/22/90/818972290.db2.gz VVEHPGDKBZWXHV-CQSZACIVSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006858 818976914 /nfs/dbraw/zinc/97/69/14/818976914.db2.gz MFKRYOFIKLMNOV-OXJNMPFZSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006858 818976930 /nfs/dbraw/zinc/97/69/30/818976930.db2.gz MFKRYOFIKLMNOV-OXJNMPFZSA-N 2 2 292.426 3.456 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110210 819006106 /nfs/dbraw/zinc/00/61/06/819006106.db2.gz JKRCIWQUEYZAEV-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235110210 819006109 /nfs/dbraw/zinc/00/61/09/819006109.db2.gz JKRCIWQUEYZAEV-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235169544 819022288 /nfs/dbraw/zinc/02/22/88/819022288.db2.gz BQFIQZIPWFOEOM-KRWDZBQOSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)o1 ZINC001235169544 819022289 /nfs/dbraw/zinc/02/22/89/819022289.db2.gz BQFIQZIPWFOEOM-KRWDZBQOSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1sccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175453 819024186 /nfs/dbraw/zinc/02/41/86/819024186.db2.gz IWWXRWLLFXHLHQ-OAHLLOKOSA-N 2 2 264.438 3.165 20 0 CGADLP Cc1sccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235175453 819024194 /nfs/dbraw/zinc/02/41/94/819024194.db2.gz IWWXRWLLFXHLHQ-OAHLLOKOSA-N 2 2 264.438 3.165 20 0 CGADLP Clc1ccc(CCC[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC001235187550 819027706 /nfs/dbraw/zinc/02/77/06/819027706.db2.gz BXZDQRIGDSGJRR-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cl ZINC001235187550 819027713 /nfs/dbraw/zinc/02/77/13/819027713.db2.gz BXZDQRIGDSGJRR-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235189222 819030751 /nfs/dbraw/zinc/03/07/51/819030751.db2.gz YAJUEUQYFCPAPH-QFBILLFUSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235189222 819030756 /nfs/dbraw/zinc/03/07/56/819030756.db2.gz YAJUEUQYFCPAPH-QFBILLFUSA-N 2 2 296.389 3.286 20 0 CGADLP c1csc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235248672 819048553 /nfs/dbraw/zinc/04/85/53/819048553.db2.gz ADFCXDBZJNYAKR-QZTJIDSGSA-N 2 2 298.455 3.470 20 0 CGADLP c1csc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235248672 819048555 /nfs/dbraw/zinc/04/85/55/819048555.db2.gz ADFCXDBZJNYAKR-QZTJIDSGSA-N 2 2 298.455 3.470 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235254709 819051170 /nfs/dbraw/zinc/05/11/70/819051170.db2.gz CQGBQKVKNDBIPC-JKSUJKDBSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC001235254709 819051179 /nfs/dbraw/zinc/05/11/79/819051179.db2.gz CQGBQKVKNDBIPC-JKSUJKDBSA-N 2 2 284.428 3.209 20 0 CGADLP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCC[NH2+]C1 ZINC001235342086 819072425 /nfs/dbraw/zinc/07/24/25/819072425.db2.gz IFBSZHUOMXCYMM-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCC[NH2+]C1 ZINC001235342086 819072428 /nfs/dbraw/zinc/07/24/28/819072428.db2.gz IFBSZHUOMXCYMM-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235346622 819075088 /nfs/dbraw/zinc/07/50/88/819075088.db2.gz IPFRUHLSFCORMJ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccc(C2CCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235346622 819075093 /nfs/dbraw/zinc/07/50/93/819075093.db2.gz IPFRUHLSFCORMJ-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001235675655 819137470 /nfs/dbraw/zinc/13/74/70/819137470.db2.gz QUMLRGOIFMXZQY-AWEZNQCLSA-N 2 2 296.842 3.101 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001235675655 819137473 /nfs/dbraw/zinc/13/74/73/819137473.db2.gz QUMLRGOIFMXZQY-AWEZNQCLSA-N 2 2 296.842 3.101 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001235828915 819177853 /nfs/dbraw/zinc/17/78/53/819177853.db2.gz MBJJZZVYJRJWGU-MAUKXSAKSA-N 2 2 274.452 3.282 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccc(C(C)C)cc2)C1 ZINC001235828915 819177856 /nfs/dbraw/zinc/17/78/56/819177856.db2.gz MBJJZZVYJRJWGU-MAUKXSAKSA-N 2 2 274.452 3.282 20 0 CGADLP CC1(C[N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CCCCC1 ZINC001235899377 819209506 /nfs/dbraw/zinc/20/95/06/819209506.db2.gz GKABYEVDOPRERP-NEPJUHHUSA-N 2 2 278.362 3.168 20 0 CGADLP CC1(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)CCCCC1 ZINC001235899377 819209514 /nfs/dbraw/zinc/20/95/14/819209514.db2.gz GKABYEVDOPRERP-NEPJUHHUSA-N 2 2 278.362 3.168 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235947315 819235934 /nfs/dbraw/zinc/23/59/34/819235934.db2.gz JUROZTFWUVFIKV-UHFFFAOYSA-N 2 2 280.415 3.427 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235947315 819235939 /nfs/dbraw/zinc/23/59/39/819235939.db2.gz JUROZTFWUVFIKV-UHFFFAOYSA-N 2 2 280.415 3.427 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001235988104 819260316 /nfs/dbraw/zinc/26/03/16/819260316.db2.gz YLNWEKFDTPTWKA-DLBZAZTESA-N 2 2 290.426 3.161 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236045251 819281694 /nfs/dbraw/zinc/28/16/94/819281694.db2.gz BLCCNRACPQMFOX-WMLDXEAASA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236045251 819281699 /nfs/dbraw/zinc/28/16/99/819281699.db2.gz BLCCNRACPQMFOX-WMLDXEAASA-N 2 2 260.425 3.198 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1C(C)C ZINC001236048378 819285900 /nfs/dbraw/zinc/28/59/00/819285900.db2.gz OFFWBTKPVQOPIG-CJNGLKHVSA-N 2 2 290.451 3.296 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1C(C)C ZINC001236048378 819285906 /nfs/dbraw/zinc/28/59/06/819285906.db2.gz OFFWBTKPVQOPIG-CJNGLKHVSA-N 2 2 290.451 3.296 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059422 819292406 /nfs/dbraw/zinc/29/24/06/819292406.db2.gz HSDGLPLIFWAZSU-CSFVBSKPSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059422 819292413 /nfs/dbraw/zinc/29/24/13/819292413.db2.gz HSDGLPLIFWAZSU-CSFVBSKPSA-N 2 2 290.838 3.127 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccsc3)c2)C[C@@H]1[NH3+] ZINC001236093284 819312873 /nfs/dbraw/zinc/31/28/73/819312873.db2.gz JUAOFHVAOKTWMZ-WBMJQRKESA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccsc3)c2)C[C@@H]1[NH3+] ZINC001236093284 819312880 /nfs/dbraw/zinc/31/28/80/819312880.db2.gz JUAOFHVAOKTWMZ-WBMJQRKESA-N 2 2 272.417 3.194 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001236093751 819313069 /nfs/dbraw/zinc/31/30/69/819313069.db2.gz JTIGSZFQNCHQBO-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001236093751 819313075 /nfs/dbraw/zinc/31/30/75/819313075.db2.gz JTIGSZFQNCHQBO-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(OC(C)(C)C)cc2)CCC[NH2+]1 ZINC001236095844 819314295 /nfs/dbraw/zinc/31/42/95/819314295.db2.gz ZZBAEWUOUFYUKM-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(C)(C)C)cc2)CCC[NH2+]1 ZINC001236095844 819314302 /nfs/dbraw/zinc/31/43/02/819314302.db2.gz ZZBAEWUOUFYUKM-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236169643 819354642 /nfs/dbraw/zinc/35/46/42/819354642.db2.gz QKXATDPXAUVLKY-OAHLLOKOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001236169643 819354648 /nfs/dbraw/zinc/35/46/48/819354648.db2.gz QKXATDPXAUVLKY-OAHLLOKOSA-N 2 2 291.398 3.368 20 0 CGADLP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001236209376 819372406 /nfs/dbraw/zinc/37/24/06/819372406.db2.gz XDOOLLJUUMHMBU-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@]1(C)CCC[NH2+]C1 ZINC001236209376 819372409 /nfs/dbraw/zinc/37/24/09/819372409.db2.gz XDOOLLJUUMHMBU-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP Cc1cc(F)cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236227586 819390875 /nfs/dbraw/zinc/39/08/75/819390875.db2.gz HTNORPTXJHIRAJ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1cc(F)cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1Cl ZINC001236227586 819390879 /nfs/dbraw/zinc/39/08/79/819390879.db2.gz HTNORPTXJHIRAJ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236228206 819392435 /nfs/dbraw/zinc/39/24/35/819392435.db2.gz RFQRATZPKHTUGS-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+](C)C2(C)CC[NH2+]CC2)c1 ZINC001236228206 819392443 /nfs/dbraw/zinc/39/24/43/819392443.db2.gz RFQRATZPKHTUGS-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236235700 819396928 /nfs/dbraw/zinc/39/69/28/819396928.db2.gz FYCBSVMCWWOCFG-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236235700 819396934 /nfs/dbraw/zinc/39/69/34/819396934.db2.gz FYCBSVMCWWOCFG-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP COc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001236235398 819397132 /nfs/dbraw/zinc/39/71/32/819397132.db2.gz ABCRVAUHDUXXNE-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP COc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1C ZINC001236235398 819397138 /nfs/dbraw/zinc/39/71/38/819397138.db2.gz ABCRVAUHDUXXNE-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP Oc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001236242087 819401685 /nfs/dbraw/zinc/40/16/85/819401685.db2.gz WNHIJLFMCZWKMV-MRXNPFEDSA-N 2 2 296.414 3.262 20 0 CGADLP Oc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001236242087 819401687 /nfs/dbraw/zinc/40/16/87/819401687.db2.gz WNHIJLFMCZWKMV-MRXNPFEDSA-N 2 2 296.414 3.262 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247398 819403576 /nfs/dbraw/zinc/40/35/76/819403576.db2.gz SSKITDKXEXQPCP-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247398 819403583 /nfs/dbraw/zinc/40/35/83/819403583.db2.gz SSKITDKXEXQPCP-MRXNPFEDSA-N 2 2 260.425 3.297 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236412407 819458731 /nfs/dbraw/zinc/45/87/31/819458731.db2.gz UGOLZJCAVQCLRL-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(C)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236412407 819458734 /nfs/dbraw/zinc/45/87/34/819458734.db2.gz UGOLZJCAVQCLRL-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC001236412101 819458767 /nfs/dbraw/zinc/45/87/67/819458767.db2.gz QRISHQUVKRXHMT-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC001236412101 819458768 /nfs/dbraw/zinc/45/87/68/819458768.db2.gz QRISHQUVKRXHMT-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)cc2)o1 ZINC001236434261 819476973 /nfs/dbraw/zinc/47/69/73/819476973.db2.gz LFOGKSQFPMEANX-KRWDZBQOSA-N 2 2 288.366 3.128 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](F)(C[NH3+])C3)cc2)o1 ZINC001236434261 819476976 /nfs/dbraw/zinc/47/69/76/819476976.db2.gz LFOGKSQFPMEANX-KRWDZBQOSA-N 2 2 288.366 3.128 20 0 CGADLP CCC(CC)C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236479121 819495231 /nfs/dbraw/zinc/49/52/31/819495231.db2.gz QNDNPSHXZLFIND-KRWDZBQOSA-N 2 2 275.440 3.072 20 0 CGADLP CCC(CC)C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236479121 819495235 /nfs/dbraw/zinc/49/52/35/819495235.db2.gz QNDNPSHXZLFIND-KRWDZBQOSA-N 2 2 275.440 3.072 20 0 CGADLP Cc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)cc1F ZINC001236601177 819549075 /nfs/dbraw/zinc/54/90/75/819549075.db2.gz LHZMCKRASWKDPE-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(F)cc1F ZINC001236601177 819549080 /nfs/dbraw/zinc/54/90/80/819549080.db2.gz LHZMCKRASWKDPE-ZDUSSCGKSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)cc1F ZINC001236601176 819549125 /nfs/dbraw/zinc/54/91/25/819549125.db2.gz LHZMCKRASWKDPE-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)cc1F ZINC001236601176 819549129 /nfs/dbraw/zinc/54/91/29/819549129.db2.gz LHZMCKRASWKDPE-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccnc2c(Cl)cccc12 ZINC001236884722 819630410 /nfs/dbraw/zinc/63/04/10/819630410.db2.gz QYPUAAXFJYEEKS-LBPRGKRZSA-N 2 2 277.799 3.057 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccnc2c(Cl)cccc12 ZINC001236884722 819630413 /nfs/dbraw/zinc/63/04/13/819630413.db2.gz QYPUAAXFJYEEKS-LBPRGKRZSA-N 2 2 277.799 3.057 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001237001542 819643815 /nfs/dbraw/zinc/64/38/15/819643815.db2.gz XNIOBBNVXRAMSI-SUMWQHHRSA-N 2 2 286.444 3.277 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001237001542 819643818 /nfs/dbraw/zinc/64/38/18/819643818.db2.gz XNIOBBNVXRAMSI-SUMWQHHRSA-N 2 2 286.444 3.277 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001237205471 819699225 /nfs/dbraw/zinc/69/92/25/819699225.db2.gz UZXRXGCAZWGWHV-QAPCUYQASA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001237205471 819699230 /nfs/dbraw/zinc/69/92/30/819699230.db2.gz UZXRXGCAZWGWHV-QAPCUYQASA-N 2 2 296.414 3.187 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382180 819738495 /nfs/dbraw/zinc/73/84/95/819738495.db2.gz MCMANFCSKSJJAO-RHSMWYFYSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382180 819738501 /nfs/dbraw/zinc/73/85/01/819738501.db2.gz MCMANFCSKSJJAO-RHSMWYFYSA-N 2 2 283.419 3.050 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383948 819738651 /nfs/dbraw/zinc/73/86/51/819738651.db2.gz TUOCWJVCKKWELJ-GJZGRUSLSA-N 2 2 280.362 3.198 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237383948 819738657 /nfs/dbraw/zinc/73/86/57/819738657.db2.gz TUOCWJVCKKWELJ-GJZGRUSLSA-N 2 2 280.362 3.198 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418353 819749042 /nfs/dbraw/zinc/74/90/42/819749042.db2.gz YEGCCIRDUQISJZ-MLGOLLRUSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418353 819749046 /nfs/dbraw/zinc/74/90/46/819749046.db2.gz YEGCCIRDUQISJZ-MLGOLLRUSA-N 2 2 288.366 3.146 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC(=O)CC3)cc21 ZINC001237876741 819867636 /nfs/dbraw/zinc/86/76/36/819867636.db2.gz HTNUVJUADRVAMT-UHFFFAOYSA-N 2 2 298.430 3.243 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC(=O)CC3)cc21 ZINC001237876741 819867648 /nfs/dbraw/zinc/86/76/48/819867648.db2.gz HTNUVJUADRVAMT-UHFFFAOYSA-N 2 2 298.430 3.243 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cn1 ZINC001238111787 819935162 /nfs/dbraw/zinc/93/51/62/819935162.db2.gz XYZZGPXBBSQQNW-SFHVURJKSA-N 2 2 292.386 3.375 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cn1 ZINC001238111787 819935168 /nfs/dbraw/zinc/93/51/68/819935168.db2.gz XYZZGPXBBSQQNW-SFHVURJKSA-N 2 2 292.386 3.375 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+](C)CCC[NH+](C)C ZINC001238673176 820076797 /nfs/dbraw/zinc/07/67/97/820076797.db2.gz UWNYMVBJQJFPFK-UHFFFAOYSA-N 2 2 286.872 3.445 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001238673176 820076806 /nfs/dbraw/zinc/07/68/06/820076806.db2.gz UWNYMVBJQJFPFK-UHFFFAOYSA-N 2 2 286.872 3.445 20 0 CGADLP COc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1C ZINC001238984945 820182684 /nfs/dbraw/zinc/18/26/84/820182684.db2.gz YECKQDCHGXTDKD-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP c1cn(Cc2ccc(-c3ccc4c(c3)C[NH2+]CC4)cc2)c[nH+]1 ZINC001243659580 823477583 /nfs/dbraw/zinc/47/75/83/823477583.db2.gz VOPBPSPOXBRESO-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP COCc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240952867 821439275 /nfs/dbraw/zinc/43/92/75/821439275.db2.gz JGTSZBKKSBQJOJ-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240952867 821439284 /nfs/dbraw/zinc/43/92/84/821439284.db2.gz JGTSZBKKSBQJOJ-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088551 936397153 /nfs/dbraw/zinc/39/71/53/936397153.db2.gz RFEGOXOZIBZMDJ-LSDHHAIUSA-N 2 2 277.456 3.357 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088551 936397158 /nfs/dbraw/zinc/39/71/58/936397158.db2.gz RFEGOXOZIBZMDJ-LSDHHAIUSA-N 2 2 277.456 3.357 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC001342120827 936459675 /nfs/dbraw/zinc/45/96/75/936459675.db2.gz ZXAXGXIZOVNEIE-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP Cc1cnc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)s1 ZINC001342962327 936485694 /nfs/dbraw/zinc/48/56/94/936485694.db2.gz ZHLGEBLTUBEKGM-JALIKCBVSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1cnc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)s1 ZINC001342962327 936485697 /nfs/dbraw/zinc/48/56/97/936485697.db2.gz ZHLGEBLTUBEKGM-JALIKCBVSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c(C)[nH+]1 ZINC001351292908 937014127 /nfs/dbraw/zinc/01/41/27/937014127.db2.gz AFJIRPKIEFBJSK-ILMHXZGMSA-N 2 2 285.391 3.069 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001351177704 937010356 /nfs/dbraw/zinc/01/03/56/937010356.db2.gz STYQMXSPFLYINK-NWDGAFQWSA-N 2 2 257.381 3.308 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(CC)CC ZINC001351320111 937015038 /nfs/dbraw/zinc/01/50/38/937015038.db2.gz KXPZMTCAZJVBCH-HUUCEWRRSA-N 2 2 279.428 3.100 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001354710005 937111027 /nfs/dbraw/zinc/11/10/27/937111027.db2.gz NWVAWIQVEQLDOD-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001354710005 937111029 /nfs/dbraw/zinc/11/10/29/937111029.db2.gz NWVAWIQVEQLDOD-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC001473926711 937830475 /nfs/dbraw/zinc/83/04/75/937830475.db2.gz FEEIAOXIYOOLHF-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000150289917 937221663 /nfs/dbraw/zinc/22/16/63/937221663.db2.gz VCAZULIGPUFKKN-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000150289917 937221665 /nfs/dbraw/zinc/22/16/65/937221665.db2.gz VCAZULIGPUFKKN-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CCc1ncc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000084017364 928272245 /nfs/dbraw/zinc/27/22/45/928272245.db2.gz LRPADZCXCSGVOX-UHFFFAOYSA-N 2 2 298.415 3.181 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1F ZINC001459372756 937486644 /nfs/dbraw/zinc/48/66/44/937486644.db2.gz FBNILIBFZZQRAB-UHFFFAOYSA-N 2 2 293.361 3.153 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1F ZINC001459372756 937486645 /nfs/dbraw/zinc/48/66/45/937486645.db2.gz FBNILIBFZZQRAB-UHFFFAOYSA-N 2 2 293.361 3.153 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001117572402 931941148 /nfs/dbraw/zinc/94/11/48/931941148.db2.gz HWWUPFSUSMOLNV-MSOLQXFVSA-N 2 2 287.451 3.285 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@H]3C=CCCC3)c2)c[nH+]1 ZINC001461314438 937575845 /nfs/dbraw/zinc/57/58/45/937575845.db2.gz ANVRSDAJPUEZGC-LBPRGKRZSA-N 2 2 259.378 3.132 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001462425463 937640281 /nfs/dbraw/zinc/64/02/81/937640281.db2.gz DMZSRQCSCVMDDU-CQSZACIVSA-N 2 2 296.405 3.217 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001462427153 937640894 /nfs/dbraw/zinc/64/08/94/937640894.db2.gz NTYDSPYZHWWHFP-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001462427153 937640895 /nfs/dbraw/zinc/64/08/95/937640895.db2.gz NTYDSPYZHWWHFP-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCCc3ccccc3C2)[nH+]c1 ZINC001308298573 933091060 /nfs/dbraw/zinc/09/10/60/933091060.db2.gz SZTCMAWDGJQSOY-SFHVURJKSA-N 2 2 295.430 3.421 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC1([NH+](C)C)CCC1 ZINC001320688401 934086448 /nfs/dbraw/zinc/08/64/48/934086448.db2.gz GFGDDUAYHTYIAU-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689526 937817825 /nfs/dbraw/zinc/81/78/25/937817825.db2.gz IPELIFWAZCRLSB-IRXDYDNUSA-N 2 2 292.854 3.422 20 0 CGADLP CC(C)=C(C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001332354973 935461973 /nfs/dbraw/zinc/46/19/73/935461973.db2.gz RCFRPNDKQFOZIP-UHFFFAOYSA-N 2 2 284.363 3.261 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001334054668 936083014 /nfs/dbraw/zinc/08/30/14/936083014.db2.gz ISBNXVXVBBGPFX-INMHGKMJSA-N 2 2 294.389 3.370 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001334054668 936083018 /nfs/dbraw/zinc/08/30/18/936083018.db2.gz ISBNXVXVBBGPFX-INMHGKMJSA-N 2 2 294.389 3.370 20 0 CGADLP Cc1cc(C)nc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001473900415 937828467 /nfs/dbraw/zinc/82/84/67/937828467.db2.gz ASMRKOCDXDQRHZ-KDURUIRLSA-N 2 2 299.462 3.006 20 0 CGADLP Cc1cc(C)nc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1 ZINC001473900415 937828469 /nfs/dbraw/zinc/82/84/69/937828469.db2.gz ASMRKOCDXDQRHZ-KDURUIRLSA-N 2 2 299.462 3.006 20 0 CGADLP Cc1cc(C)nc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001473900415 937828471 /nfs/dbraw/zinc/82/84/71/937828471.db2.gz ASMRKOCDXDQRHZ-KDURUIRLSA-N 2 2 299.462 3.006 20 0 CGADLP Cc1cc(C)nc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1 ZINC001473900415 937828473 /nfs/dbraw/zinc/82/84/73/937828473.db2.gz ASMRKOCDXDQRHZ-KDURUIRLSA-N 2 2 299.462 3.006 20 0 CGADLP Cc1occc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001473959406 937832082 /nfs/dbraw/zinc/83/20/82/937832082.db2.gz YAGSULOKCLKQRD-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001473996945 937834480 /nfs/dbraw/zinc/83/44/80/937834480.db2.gz GMVRWKNDVNDOFZ-BFYDXBDKSA-N 2 2 290.451 3.273 20 0 CGADLP CC(C)CCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001474212119 937844362 /nfs/dbraw/zinc/84/43/62/937844362.db2.gz MNTBIGBMBQRERI-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001474212119 937844364 /nfs/dbraw/zinc/84/43/64/937844364.db2.gz MNTBIGBMBQRERI-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001474212816 937844433 /nfs/dbraw/zinc/84/44/33/937844433.db2.gz ATJOZPRZGNKZRK-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001474212816 937844436 /nfs/dbraw/zinc/84/44/36/937844436.db2.gz ATJOZPRZGNKZRK-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP Cn1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320792 937851169 /nfs/dbraw/zinc/85/11/69/937851169.db2.gz QKBSIYAYYHCPDV-AEFFLSMTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320792 937851171 /nfs/dbraw/zinc/85/11/71/937851171.db2.gz QKBSIYAYYHCPDV-AEFFLSMTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc2ccccc21 ZINC001474320792 937851172 /nfs/dbraw/zinc/85/11/72/937851172.db2.gz QKBSIYAYYHCPDV-AEFFLSMTSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc2ccccc21 ZINC001474320792 937851175 /nfs/dbraw/zinc/85/11/75/937851175.db2.gz QKBSIYAYYHCPDV-AEFFLSMTSA-N 2 2 297.446 3.094 20 0 CGADLP Clc1cccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001474605036 937870281 /nfs/dbraw/zinc/87/02/81/937870281.db2.gz RHFGSWRSKYSTRF-IRXDYDNUSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001474605036 937870283 /nfs/dbraw/zinc/87/02/83/937870283.db2.gz RHFGSWRSKYSTRF-IRXDYDNUSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1cc(F)cc(NC2CC[NH+](C(C)(C)C)CC2)[nH+]1 ZINC001548507931 938151627 /nfs/dbraw/zinc/15/16/27/938151627.db2.gz SMHIUYWYIDZLDH-UHFFFAOYSA-N 2 2 265.376 3.204 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC001548835123 938152182 /nfs/dbraw/zinc/15/21/82/938152182.db2.gz ILPMVQCVVVZFFR-IXDOHACOSA-N 2 2 281.403 3.156 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC001548835123 938152183 /nfs/dbraw/zinc/15/21/83/938152183.db2.gz ILPMVQCVVVZFFR-IXDOHACOSA-N 2 2 281.403 3.156 20 0 CGADLP CC(C)C1(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC001550058170 938162508 /nfs/dbraw/zinc/16/25/08/938162508.db2.gz HUQMXRNWWYFVRU-CQSZACIVSA-N 2 2 261.413 3.036 20 0 CGADLP CC(C)C1(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC001550058170 938162509 /nfs/dbraw/zinc/16/25/09/938162509.db2.gz HUQMXRNWWYFVRU-CQSZACIVSA-N 2 2 261.413 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001550130234 938162936 /nfs/dbraw/zinc/16/29/36/938162936.db2.gz BFYFCRBOHMKCCL-QWHCGFSZSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001550130234 938162937 /nfs/dbraw/zinc/16/29/37/938162937.db2.gz BFYFCRBOHMKCCL-QWHCGFSZSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001550130513 938163127 /nfs/dbraw/zinc/16/31/27/938163127.db2.gz XYMWUYTUAORPJA-KBPBESRZSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001550130513 938163128 /nfs/dbraw/zinc/16/31/28/938163128.db2.gz XYMWUYTUAORPJA-KBPBESRZSA-N 2 2 297.393 3.425 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001550244036 938164850 /nfs/dbraw/zinc/16/48/50/938164850.db2.gz QPLGQGKHZIXXBP-FCGDIQPGSA-N 2 2 296.389 3.108 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001550244036 938164851 /nfs/dbraw/zinc/16/48/51/938164851.db2.gz QPLGQGKHZIXXBP-FCGDIQPGSA-N 2 2 296.389 3.108 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)C1(C)C ZINC001559844949 938236886 /nfs/dbraw/zinc/23/68/86/938236886.db2.gz BRGLMDAIIJLFAB-BFYDXBDKSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)C1(C)C ZINC001559844949 938236887 /nfs/dbraw/zinc/23/68/87/938236887.db2.gz BRGLMDAIIJLFAB-BFYDXBDKSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233132 938248332 /nfs/dbraw/zinc/24/83/32/938248332.db2.gz RWZBVJZWGKZDAC-GOEBONIOSA-N 2 2 275.440 3.426 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC001560259532 938249734 /nfs/dbraw/zinc/24/97/34/938249734.db2.gz RHOGVSUQEQVYQJ-LJQANCHMSA-N 2 2 288.479 3.500 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC001560291638 938251378 /nfs/dbraw/zinc/25/13/78/938251378.db2.gz AGKVKAXWBDSCDZ-NVXWUHKLSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H](C[NH2+]CC1CCCCC1)[NH+]1CCC(C)CC1 ZINC001560298879 938251770 /nfs/dbraw/zinc/25/17/70/938251770.db2.gz WSDRQGYIAQOTCP-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CCCC1 ZINC001560645242 938267408 /nfs/dbraw/zinc/26/74/08/938267408.db2.gz ZSQYZSYOGKLUHQ-CABCVRRESA-N 2 2 250.430 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CCCC1 ZINC001560645242 938267409 /nfs/dbraw/zinc/26/74/09/938267409.db2.gz ZSQYZSYOGKLUHQ-CABCVRRESA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CCCC1 ZINC001560645242 938267411 /nfs/dbraw/zinc/26/74/11/938267411.db2.gz ZSQYZSYOGKLUHQ-CABCVRRESA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CCCC1 ZINC001560645242 938267412 /nfs/dbraw/zinc/26/74/12/938267412.db2.gz ZSQYZSYOGKLUHQ-CABCVRRESA-N 2 2 250.430 3.125 20 0 CGADLP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]2C1 ZINC001560909512 938283228 /nfs/dbraw/zinc/28/32/28/938283228.db2.gz XBQXHTQLHZFTIB-QUSNUVHPSA-N 2 2 262.441 3.172 20 0 CGADLP C1C[C@H]2CC[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]2C1 ZINC001560909512 938283229 /nfs/dbraw/zinc/28/32/29/938283229.db2.gz XBQXHTQLHZFTIB-QUSNUVHPSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001560933905 938285035 /nfs/dbraw/zinc/28/50/35/938285035.db2.gz BVYLUFIYZMXXBS-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001560933905 938285037 /nfs/dbraw/zinc/28/50/37/938285037.db2.gz BVYLUFIYZMXXBS-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C[NH2+]1 ZINC001576671161 960473761 /nfs/dbraw/zinc/47/37/61/960473761.db2.gz SVUBMZXVJQXJPA-SMDDNHRTSA-N 2 2 268.351 3.028 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nc(C2CCCCC2)cs1 ZINC001576380217 962449173 /nfs/dbraw/zinc/44/91/73/962449173.db2.gz KDLRRPNTYOOMNW-ZIAGYGMSSA-N 2 2 293.480 3.406 20 0 CGADLP CC1(C)C[N@@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC001576457604 962457815 /nfs/dbraw/zinc/45/78/15/962457815.db2.gz JDMNJSADHIOQQS-QGZVFWFLSA-N 2 2 278.399 3.426 20 0 CGADLP CC1(C)C[N@H+](C2c3ccccc3-c3ccccc32)C[C@H]1[NH3+] ZINC001576457604 962457821 /nfs/dbraw/zinc/45/78/21/962457821.db2.gz JDMNJSADHIOQQS-QGZVFWFLSA-N 2 2 278.399 3.426 20 0 CGADLP C[C@H]1CC(CC[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)C1 ZINC001576590064 962477153 /nfs/dbraw/zinc/47/71/53/962477153.db2.gz XRQYMFKGRVTSFH-UMVBOHGHSA-N 2 2 252.446 3.118 20 0 CGADLP C[C@H]1CC(CC[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C[C@H](C)C1 ZINC001576590064 962477164 /nfs/dbraw/zinc/47/71/64/962477164.db2.gz XRQYMFKGRVTSFH-UMVBOHGHSA-N 2 2 252.446 3.118 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001576912407 962494773 /nfs/dbraw/zinc/49/47/73/962494773.db2.gz BERCRQRCAXHCKO-HEHGZKQESA-N 2 2 276.424 3.252 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])s1 ZINC001577608631 962552742 /nfs/dbraw/zinc/55/27/42/962552742.db2.gz JNSYDNGUVAQATQ-SWLSCSKDSA-N 2 2 264.438 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])s1 ZINC001577608631 962552758 /nfs/dbraw/zinc/55/27/58/962552758.db2.gz JNSYDNGUVAQATQ-SWLSCSKDSA-N 2 2 264.438 3.014 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001579393531 962627139 /nfs/dbraw/zinc/62/71/39/962627139.db2.gz YQNXKAJMCYXULU-BZPMIXESSA-N 2 2 264.438 3.200 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001579393533 962628055 /nfs/dbraw/zinc/62/80/55/962628055.db2.gz YQNXKAJMCYXULU-SCRDCRAPSA-N 2 2 264.438 3.200 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001579672527 962652574 /nfs/dbraw/zinc/65/25/74/962652574.db2.gz FUSUQZLGUAEAHD-QZTJIDSGSA-N 2 2 266.388 3.018 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001579795399 962668442 /nfs/dbraw/zinc/66/84/42/962668442.db2.gz QPVYNNSPUCHTRN-TZMCWYRMSA-N 2 2 286.341 3.412 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001579795399 962668457 /nfs/dbraw/zinc/66/84/57/962668457.db2.gz QPVYNNSPUCHTRN-TZMCWYRMSA-N 2 2 286.341 3.412 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCCCC[NH2+]2)c(F)c1 ZINC001580030734 962689231 /nfs/dbraw/zinc/68/92/31/962689231.db2.gz PEAOHFGSQKFRDJ-RGDDUWESSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337431428 214079151 /nfs/dbraw/zinc/07/91/51/214079151.db2.gz FUGLJCQWWKIUJE-CZUORRHYSA-N 2 2 289.810 3.452 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651186611 398212309 /nfs/dbraw/zinc/21/23/09/398212309.db2.gz GEACUYMQBXOFBC-CYBMUJFWSA-N 2 2 263.429 3.176 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC000337503861 214125411 /nfs/dbraw/zinc/12/54/11/214125411.db2.gz GGUPLEKJERLYDO-HKUYNNGSSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC000337503861 214125413 /nfs/dbraw/zinc/12/54/13/214125413.db2.gz GGUPLEKJERLYDO-HKUYNNGSSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124729576 187150731 /nfs/dbraw/zinc/15/07/31/187150731.db2.gz LLDVRGHJRGMRDW-KCQAQPDRSA-N 2 2 255.365 3.179 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124729994 187150846 /nfs/dbraw/zinc/15/08/46/187150846.db2.gz LLDVRGHJRGMRDW-YDHLFZDLSA-N 2 2 255.365 3.179 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2OC(F)F)c[nH+]1 ZINC000337552307 214151450 /nfs/dbraw/zinc/15/14/50/214151450.db2.gz STUVSNFKDALPQJ-KBPBESRZSA-N 2 2 284.350 3.073 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4c3CCC4)CC2)[nH]1 ZINC000651626403 398260077 /nfs/dbraw/zinc/26/00/77/398260077.db2.gz PDUDTDNYWHMDQJ-UHFFFAOYSA-N 2 2 281.403 3.278 20 0 CGADLP C[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651669480 398265704 /nfs/dbraw/zinc/26/57/04/398265704.db2.gz WUMJMTXTWNOYBF-ZDUSSCGKSA-N 2 2 282.790 3.150 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC(CC4CC4)C3)cc2)c[nH+]1 ZINC000621741540 349578768 /nfs/dbraw/zinc/57/87/68/349578768.db2.gz YLAGTNMRHXNYPQ-UHFFFAOYSA-N 2 2 267.376 3.104 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783997 349586455 /nfs/dbraw/zinc/58/64/55/349586455.db2.gz IBXJWOXMILWJJW-WMZOPIPTSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783997 349586459 /nfs/dbraw/zinc/58/64/59/349586459.db2.gz IBXJWOXMILWJJW-WMZOPIPTSA-N 2 2 288.435 3.132 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651715833 398273578 /nfs/dbraw/zinc/27/35/78/398273578.db2.gz AHSBRHSXFFZKLB-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000651716120 398274341 /nfs/dbraw/zinc/27/43/41/398274341.db2.gz LDNQIXTVUKXKFQ-WMZOPIPTSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651735067 398278291 /nfs/dbraw/zinc/27/82/91/398278291.db2.gz FHUPGPMWGIXEGR-LQKXBSAESA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651735067 398278295 /nfs/dbraw/zinc/27/82/95/398278295.db2.gz FHUPGPMWGIXEGR-LQKXBSAESA-N 2 2 250.430 3.170 20 0 CGADLP CCSc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622004173 349620649 /nfs/dbraw/zinc/62/06/49/349620649.db2.gz LPGXLWHYOKUJES-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622004173 349620652 /nfs/dbraw/zinc/62/06/52/349620652.db2.gz LPGXLWHYOKUJES-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2CC(C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000622044894 349623203 /nfs/dbraw/zinc/62/32/03/349623203.db2.gz WVBXWUIWDUXPMY-GNNGFNCTSA-N 2 2 288.435 3.124 20 0 CGADLP CC[C@H](F)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440774393 529435738 /nfs/dbraw/zinc/43/57/38/529435738.db2.gz JHHCHYOMSPEEKC-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP CC[C@H](F)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440774393 529435741 /nfs/dbraw/zinc/43/57/41/529435741.db2.gz JHHCHYOMSPEEKC-INIZCTEOSA-N 2 2 278.415 3.331 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[NH+](C)C)c1ccc(F)cc1 ZINC000652199461 398327341 /nfs/dbraw/zinc/32/73/41/398327341.db2.gz RXAUHVRUVRPBNZ-HNNXBMFYSA-N 2 2 252.377 3.064 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423442900 529501283 /nfs/dbraw/zinc/50/12/83/529501283.db2.gz KGMGEASWPFXDBY-UTUOFQBUSA-N 2 2 260.381 3.382 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082581 346900092 /nfs/dbraw/zinc/90/00/92/346900092.db2.gz QRGXIYTYDHNMAL-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082581 346900093 /nfs/dbraw/zinc/90/00/93/346900093.db2.gz QRGXIYTYDHNMAL-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP CC[C@@H](F)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000440518473 529551693 /nfs/dbraw/zinc/55/16/93/529551693.db2.gz KMXYVCRFZXQYCN-CQSZACIVSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423478413 529568638 /nfs/dbraw/zinc/56/86/38/529568638.db2.gz UOICWOBDVSKKIQ-PSASIEDQSA-N 2 2 292.757 3.329 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000623088756 349757975 /nfs/dbraw/zinc/75/79/75/349757975.db2.gz CKQLUIWOKQCCEQ-UHFFFAOYSA-N 2 2 274.399 3.276 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(SC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422882763 529629623 /nfs/dbraw/zinc/62/96/23/529629623.db2.gz TWSKVKNRSBDROC-GJZGRUSLSA-N 2 2 264.438 3.029 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1C ZINC000414124222 529630099 /nfs/dbraw/zinc/63/00/99/529630099.db2.gz PGQCYYJRKFAFTA-JQFCIGGWSA-N 2 2 269.392 3.397 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423508931 529612144 /nfs/dbraw/zinc/61/21/44/529612144.db2.gz RGCJUTLYWPHVPC-SJCJKPOMSA-N 2 2 287.382 3.134 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423513066 529617980 /nfs/dbraw/zinc/61/79/80/529617980.db2.gz UZTMUCFHECXQDC-JQHSSLGASA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)ccc1OC ZINC000427871146 529661956 /nfs/dbraw/zinc/66/19/56/529661956.db2.gz ZKJZUUDKQNWLDF-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358150634 529689748 /nfs/dbraw/zinc/68/97/48/529689748.db2.gz DXMMFZJNAIVIBN-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP CC(C)c1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000351506558 136380668 /nfs/dbraw/zinc/38/06/68/136380668.db2.gz USRDLLCGCIPECT-KBPBESRZSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000351506558 136380669 /nfs/dbraw/zinc/38/06/69/136380669.db2.gz USRDLLCGCIPECT-KBPBESRZSA-N 2 2 290.455 3.252 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](CCO)c2ccccc2)c[nH+]1 ZINC000351271114 219088823 /nfs/dbraw/zinc/08/88/23/219088823.db2.gz QLXTUTMIAUBIHV-IBGZPJMESA-N 2 2 298.430 3.378 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H](CCO)c2ccccc2)c[nH+]1 ZINC000351271114 219088825 /nfs/dbraw/zinc/08/88/25/219088825.db2.gz QLXTUTMIAUBIHV-IBGZPJMESA-N 2 2 298.430 3.378 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000423381140 529728884 /nfs/dbraw/zinc/72/88/84/529728884.db2.gz HSODDQIWXPQCFS-DGCLKSJQSA-N 2 2 295.496 3.443 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830507 187264354 /nfs/dbraw/zinc/26/43/54/187264354.db2.gz OTYVERYVEMYLPJ-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830507 187264356 /nfs/dbraw/zinc/26/43/56/187264356.db2.gz OTYVERYVEMYLPJ-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000623656361 349858702 /nfs/dbraw/zinc/85/87/02/349858702.db2.gz SMWAZFGWUHVXHL-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000623656361 349858703 /nfs/dbraw/zinc/85/87/03/349858703.db2.gz SMWAZFGWUHVXHL-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832751 349892531 /nfs/dbraw/zinc/89/25/31/349892531.db2.gz JYHMMURNEWWAPZ-XZJROXQQSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832751 349892534 /nfs/dbraw/zinc/89/25/34/349892534.db2.gz JYHMMURNEWWAPZ-XZJROXQQSA-N 2 2 278.827 3.257 20 0 CGADLP Cc1cccn2c(CNc3[nH+]ccn3CC(C)C)c[nH+]c12 ZINC000351549856 219122328 /nfs/dbraw/zinc/12/23/28/219122328.db2.gz FKMGKIXJYSQQMV-UHFFFAOYSA-N 2 2 283.379 3.107 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000423222604 529978425 /nfs/dbraw/zinc/97/84/25/529978425.db2.gz BTZMNVWVKFKDCM-LBPRGKRZSA-N 2 2 260.406 3.285 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423225116 529978457 /nfs/dbraw/zinc/97/84/57/529978457.db2.gz LHAADDONSCLDCL-LBPRGKRZSA-N 2 2 289.448 3.297 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(Cl)c1Cl ZINC000414843511 529985743 /nfs/dbraw/zinc/98/57/43/529985743.db2.gz QATHJOLVAUWIDS-SSDOTTSWSA-N 2 2 267.225 3.000 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000351606021 219143949 /nfs/dbraw/zinc/14/39/49/219143949.db2.gz ANPFRHAJYMDXKX-ZWKOTPCHSA-N 2 2 270.420 3.138 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000351606021 219143951 /nfs/dbraw/zinc/14/39/51/219143951.db2.gz ANPFRHAJYMDXKX-ZWKOTPCHSA-N 2 2 270.420 3.138 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423388282 530040960 /nfs/dbraw/zinc/04/09/60/530040960.db2.gz KKBHPNUTQYUTHQ-ISVAXAHUSA-N 2 2 273.207 3.178 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2scnc21 ZINC000623924740 349917559 /nfs/dbraw/zinc/91/75/59/349917559.db2.gz LLFABYQZTLOVKK-CYBMUJFWSA-N 2 2 273.405 3.056 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000039002358 344957152 /nfs/dbraw/zinc/95/71/52/344957152.db2.gz QGZRUOWTQLHHBM-SFHVURJKSA-N 2 2 280.415 3.460 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000039002358 344957155 /nfs/dbraw/zinc/95/71/55/344957155.db2.gz QGZRUOWTQLHHBM-SFHVURJKSA-N 2 2 280.415 3.460 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154387 344948145 /nfs/dbraw/zinc/94/81/45/344948145.db2.gz MHECOFKHIYSNOR-CABCVRRESA-N 2 2 264.413 3.065 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353315 345009555 /nfs/dbraw/zinc/00/95/55/345009555.db2.gz KSQVFBDLMFMIEO-UHFFFAOYSA-N 2 2 287.407 3.240 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c[nH+]1 ZINC000623942544 349923674 /nfs/dbraw/zinc/92/36/74/349923674.db2.gz MJOVAJZJWHUGMA-CQSZACIVSA-N 2 2 290.455 3.213 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c[nH+]1 ZINC000623942544 349923675 /nfs/dbraw/zinc/92/36/75/349923675.db2.gz MJOVAJZJWHUGMA-CQSZACIVSA-N 2 2 290.455 3.213 20 0 CGADLP CC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000295098247 199343195 /nfs/dbraw/zinc/34/31/95/199343195.db2.gz SYUJTGQFNYOYBP-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000295098247 199343196 /nfs/dbraw/zinc/34/31/96/199343196.db2.gz SYUJTGQFNYOYBP-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000295098247 199343198 /nfs/dbraw/zinc/34/31/98/199343198.db2.gz SYUJTGQFNYOYBP-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000295098247 199343200 /nfs/dbraw/zinc/34/32/00/199343200.db2.gz SYUJTGQFNYOYBP-SFHVURJKSA-N 2 2 288.435 3.195 20 0 CGADLP Cc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000344616313 136480282 /nfs/dbraw/zinc/48/02/82/136480282.db2.gz GJCMBQBBGFPYIP-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081632259 345715991 /nfs/dbraw/zinc/71/59/91/345715991.db2.gz KMXMDOFFKSIJKY-OAHLLOKOSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081632259 345715994 /nfs/dbraw/zinc/71/59/94/345715994.db2.gz KMXMDOFFKSIJKY-OAHLLOKOSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081632259 345715997 /nfs/dbraw/zinc/71/59/97/345715997.db2.gz KMXMDOFFKSIJKY-OAHLLOKOSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081632259 345716001 /nfs/dbraw/zinc/71/60/01/345716001.db2.gz KMXMDOFFKSIJKY-OAHLLOKOSA-N 2 2 294.389 3.129 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000090047304 345778788 /nfs/dbraw/zinc/77/87/88/345778788.db2.gz ATWIYQZHYFNFRU-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP COc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)ccc1F ZINC000090846826 345796059 /nfs/dbraw/zinc/79/60/59/345796059.db2.gz IZUYWLPGLBFAMC-ZDUSSCGKSA-N 2 2 288.366 3.431 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1F ZINC000091892309 345825511 /nfs/dbraw/zinc/82/55/11/345825511.db2.gz AXLGOKPHIBRNGD-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1F ZINC000091892309 345825514 /nfs/dbraw/zinc/82/55/14/345825514.db2.gz AXLGOKPHIBRNGD-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1F ZINC000091892309 345825519 /nfs/dbraw/zinc/82/55/19/345825519.db2.gz AXLGOKPHIBRNGD-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1F ZINC000091892309 345825521 /nfs/dbraw/zinc/82/55/21/345825521.db2.gz AXLGOKPHIBRNGD-CVEARBPZSA-N 2 2 276.399 3.193 20 0 CGADLP c1[nH]c(C[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000091963528 345826507 /nfs/dbraw/zinc/82/65/07/345826507.db2.gz XWEDGMVZRWUMFF-RDJZCZTQSA-N 2 2 267.376 3.311 20 0 CGADLP c1[nH]c(C[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000091963528 345826508 /nfs/dbraw/zinc/82/65/08/345826508.db2.gz XWEDGMVZRWUMFF-RDJZCZTQSA-N 2 2 267.376 3.311 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092195488 345831711 /nfs/dbraw/zinc/83/17/11/345831711.db2.gz KXJOYUXCDUKRMJ-GFCCVEGCSA-N 2 2 298.365 3.230 20 0 CGADLP CCc1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563632 345882744 /nfs/dbraw/zinc/88/27/44/345882744.db2.gz QWVGEYFSFGOHJL-AWEZNQCLSA-N 2 2 293.480 3.156 20 0 CGADLP CCc1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563632 345882746 /nfs/dbraw/zinc/88/27/46/345882746.db2.gz QWVGEYFSFGOHJL-AWEZNQCLSA-N 2 2 293.480 3.156 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042427 346046370 /nfs/dbraw/zinc/04/63/70/346046370.db2.gz UVGPZKGJXZODQJ-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042427 346046371 /nfs/dbraw/zinc/04/63/71/346046371.db2.gz UVGPZKGJXZODQJ-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP CC(C)CCn1cccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000172628266 346228114 /nfs/dbraw/zinc/22/81/14/346228114.db2.gz SSZOWEIJKKKXFZ-INIZCTEOSA-N 2 2 288.439 3.157 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000212496986 346287410 /nfs/dbraw/zinc/28/74/10/346287410.db2.gz IERJTQQBSFKHBI-APHBMKBZSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1F ZINC000212496986 346287413 /nfs/dbraw/zinc/28/74/13/346287413.db2.gz IERJTQQBSFKHBI-APHBMKBZSA-N 2 2 292.398 3.112 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000227360879 346309265 /nfs/dbraw/zinc/30/92/65/346309265.db2.gz UPTQROFUGNZQAI-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000227360879 346309266 /nfs/dbraw/zinc/30/92/66/346309266.db2.gz UPTQROFUGNZQAI-KRWDZBQOSA-N 2 2 260.425 3.211 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Br ZINC000229060237 346316265 /nfs/dbraw/zinc/31/62/65/346316265.db2.gz YVYPTYBBZWVUFB-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Br ZINC000229060237 346316266 /nfs/dbraw/zinc/31/62/66/346316266.db2.gz YVYPTYBBZWVUFB-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251220977 346387988 /nfs/dbraw/zinc/38/79/88/346387988.db2.gz HUYPQFCEUGXCEM-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251220977 346387993 /nfs/dbraw/zinc/38/79/93/346387993.db2.gz HUYPQFCEUGXCEM-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000258706232 346401454 /nfs/dbraw/zinc/40/14/54/346401454.db2.gz YIHHSJVTTVECJE-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000258706232 346401458 /nfs/dbraw/zinc/40/14/58/346401458.db2.gz YIHHSJVTTVECJE-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP c1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000316479760 346484899 /nfs/dbraw/zinc/48/48/99/346484899.db2.gz WRNMPMNKXFVIGJ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000316479760 346484902 /nfs/dbraw/zinc/48/49/02/346484902.db2.gz WRNMPMNKXFVIGJ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346802616 302312717 /nfs/dbraw/zinc/31/27/17/302312717.db2.gz DIKCFFWCNWNMGU-RWMBFGLXSA-N 2 2 252.427 3.190 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000595034145 347264740 /nfs/dbraw/zinc/26/47/40/347264740.db2.gz VHAWKUYWSPSADQ-IIAWOOMASA-N 2 2 298.471 3.359 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000608072369 348282153 /nfs/dbraw/zinc/28/21/53/348282153.db2.gz LAVURRGGMIKPRK-SFHVURJKSA-N 2 2 291.398 3.494 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000608067543 348282561 /nfs/dbraw/zinc/28/25/61/348282561.db2.gz MDDSFYIWFOOIQD-ZDUSSCGKSA-N 2 2 289.448 3.483 20 0 CGADLP CCSCc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000611476825 348455053 /nfs/dbraw/zinc/45/50/53/348455053.db2.gz MYNKWXRRECXJFZ-TZMCWYRMSA-N 2 2 279.453 3.229 20 0 CGADLP CCSCc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000611476825 348455055 /nfs/dbraw/zinc/45/50/55/348455055.db2.gz MYNKWXRRECXJFZ-TZMCWYRMSA-N 2 2 279.453 3.229 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc2ccncc2s1 ZINC000624271848 350016018 /nfs/dbraw/zinc/01/60/18/350016018.db2.gz HVPYMVHXLTXSNJ-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc2ccncc2s1 ZINC000624271848 350016022 /nfs/dbraw/zinc/01/60/22/350016022.db2.gz HVPYMVHXLTXSNJ-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464683 233322292 /nfs/dbraw/zinc/32/22/92/233322292.db2.gz FQTWBGRRPMYRET-KFWWJZLASA-N 2 2 298.434 3.405 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]C2(C[NH+](C)C)CCC2)cc1 ZINC000628259911 350469516 /nfs/dbraw/zinc/46/95/16/350469516.db2.gz NBMZCNYSJIDXEV-HNNXBMFYSA-N 2 2 260.425 3.172 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000628476325 350548270 /nfs/dbraw/zinc/54/82/70/350548270.db2.gz WBCFWBYBJORYNM-MRXNPFEDSA-N 2 2 296.499 3.245 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000629526969 350702308 /nfs/dbraw/zinc/70/23/08/350702308.db2.gz GLLMJYAZTAVBQN-ARFHVFGLSA-N 2 2 262.372 3.007 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000629526068 350702336 /nfs/dbraw/zinc/70/23/36/350702336.db2.gz JXHDUPNOQZHWMS-TUKIKUTGSA-N 2 2 264.438 3.200 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534131 350704785 /nfs/dbraw/zinc/70/47/85/350704785.db2.gz NDVVVBDGIMMKHH-MLGOLLRUSA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534131 350704791 /nfs/dbraw/zinc/70/47/91/350704791.db2.gz NDVVVBDGIMMKHH-MLGOLLRUSA-N 2 2 294.826 3.010 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000629547739 350710160 /nfs/dbraw/zinc/71/01/60/350710160.db2.gz KFIGXRQDJGMEPA-BIMULSAOSA-N 2 2 282.840 3.217 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc2)cc1 ZINC000629546651 350710509 /nfs/dbraw/zinc/71/05/09/350710509.db2.gz VLJLQPWCUKPWDX-IPELMVKDSA-N 2 2 280.415 3.424 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000629555695 350712850 /nfs/dbraw/zinc/71/28/50/350712850.db2.gz BBUAYFPDHZKTOF-KNXALSJPSA-N 2 2 278.827 3.448 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585584 350715010 /nfs/dbraw/zinc/71/50/10/350715010.db2.gz XICUPSHLTJSZLF-ZACQAIPSSA-N 2 2 294.389 3.347 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585584 350715013 /nfs/dbraw/zinc/71/50/13/350715013.db2.gz XICUPSHLTJSZLF-ZACQAIPSSA-N 2 2 294.389 3.347 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000629396980 350688622 /nfs/dbraw/zinc/68/86/22/350688622.db2.gz RWQXZQWVMAYKNO-ONGXEEELSA-N 2 2 290.304 3.075 20 0 CGADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629520379 350700711 /nfs/dbraw/zinc/70/07/11/350700711.db2.gz LARLROBODSVMGU-UKRRQHHQSA-N 2 2 274.433 3.098 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(F)cc1 ZINC000629525260 350701496 /nfs/dbraw/zinc/70/14/96/350701496.db2.gz ZGHGQMLQSCXOJT-QLFBSQMISA-N 2 2 250.361 3.007 20 0 CGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053797 350802587 /nfs/dbraw/zinc/80/25/87/350802587.db2.gz ZIQPXZWNETYOHV-UHFFFAOYSA-N 2 2 296.349 3.270 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000631114269 350958852 /nfs/dbraw/zinc/95/88/52/350958852.db2.gz AKCRJDKDYSIZOC-CQSZACIVSA-N 2 2 295.361 3.280 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000631260489 351010222 /nfs/dbraw/zinc/01/02/22/351010222.db2.gz ORLULXUSBDPNFJ-FAAHXZRKSA-N 2 2 298.352 3.190 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000631260489 351010223 /nfs/dbraw/zinc/01/02/23/351010223.db2.gz ORLULXUSBDPNFJ-FAAHXZRKSA-N 2 2 298.352 3.190 20 0 CGADLP CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631666182 351110616 /nfs/dbraw/zinc/11/06/16/351110616.db2.gz COFVIBFLNRPQBP-HOCLYGCPSA-N 2 2 287.407 3.074 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCCc2ncccc21)Cc1ccccc1 ZINC000631573547 351072555 /nfs/dbraw/zinc/07/25/55/351072555.db2.gz YXQJAHAEVOXXOB-LJQANCHMSA-N 2 2 295.430 3.181 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCCc2ncccc21)Cc1ccccc1 ZINC000631573547 351072559 /nfs/dbraw/zinc/07/25/59/351072559.db2.gz YXQJAHAEVOXXOB-LJQANCHMSA-N 2 2 295.430 3.181 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2F)CCC1 ZINC000631824072 351148625 /nfs/dbraw/zinc/14/86/25/351148625.db2.gz VKURYRLGANLYJG-UHFFFAOYSA-N 2 2 277.170 3.104 20 0 CGADLP FC(F)(F)c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000631834908 351149549 /nfs/dbraw/zinc/14/95/49/351149549.db2.gz ICKYIYNUXJBPPA-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000631834908 351149553 /nfs/dbraw/zinc/14/95/53/351149553.db2.gz ICKYIYNUXJBPPA-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC000631889413 351152568 /nfs/dbraw/zinc/15/25/68/351152568.db2.gz FRUVIBUJEWINMI-VQIMIIECSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC000631889413 351152569 /nfs/dbraw/zinc/15/25/69/351152569.db2.gz FRUVIBUJEWINMI-VQIMIIECSA-N 2 2 295.430 3.117 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890692 351152688 /nfs/dbraw/zinc/15/26/88/351152688.db2.gz SDHAIRQEZINKRH-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890692 351152691 /nfs/dbraw/zinc/15/26/91/351152691.db2.gz SDHAIRQEZINKRH-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732545 351578593 /nfs/dbraw/zinc/57/85/93/351578593.db2.gz ITPALJHOECXVCQ-GFCCVEGCSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)c1C ZINC000634993036 351619066 /nfs/dbraw/zinc/61/90/66/351619066.db2.gz JHGZMLJWYXYENB-NXYGQSRBSA-N 2 2 270.420 3.192 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)c1C ZINC000634993036 351619069 /nfs/dbraw/zinc/61/90/69/351619069.db2.gz JHGZMLJWYXYENB-NXYGQSRBSA-N 2 2 270.420 3.192 20 0 CGADLP C[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CCc2ccc(Cl)cc21 ZINC000634996475 351620919 /nfs/dbraw/zinc/62/09/19/351620919.db2.gz LADZTHHKYACDEA-POZPTJLLSA-N 2 2 290.838 3.054 20 0 CGADLP C[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CCc2ccc(Cl)cc21 ZINC000634996475 351620922 /nfs/dbraw/zinc/62/09/22/351620922.db2.gz LADZTHHKYACDEA-POZPTJLLSA-N 2 2 290.838 3.054 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635006283 351624554 /nfs/dbraw/zinc/62/45/54/351624554.db2.gz LTEQRZIKFFTHIS-BFYDXBDKSA-N 3 2 298.434 3.040 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122275289 187024228 /nfs/dbraw/zinc/02/42/28/187024228.db2.gz MOZBHDKPEIKJMQ-WCQYABFASA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000122275289 187024229 /nfs/dbraw/zinc/02/42/29/187024229.db2.gz MOZBHDKPEIKJMQ-WCQYABFASA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)C[N@@H+]1C1CC1 ZINC000122320528 187026463 /nfs/dbraw/zinc/02/64/63/187026463.db2.gz BEJVGYGMPJWDDZ-AAEUAGOBSA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)C[N@H+]1C1CC1 ZINC000122320528 187026464 /nfs/dbraw/zinc/02/64/64/187026464.db2.gz BEJVGYGMPJWDDZ-AAEUAGOBSA-N 2 2 296.361 3.003 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)c[nH+]1 ZINC000122564585 187038610 /nfs/dbraw/zinc/03/86/10/187038610.db2.gz AXFMOECIUISYKD-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP Cn1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000122898542 187058235 /nfs/dbraw/zinc/05/82/35/187058235.db2.gz USAQKOBMYIRBII-HNNXBMFYSA-N 2 2 289.448 3.013 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000124048318 187119594 /nfs/dbraw/zinc/11/95/94/187119594.db2.gz WVOZQLGCTAYCME-HUUCEWRRSA-N 2 2 284.407 3.183 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@@H+]1C ZINC000336468214 213337134 /nfs/dbraw/zinc/33/71/34/213337134.db2.gz ZCEWIWYDIBJBKW-PWSUYJOCSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@H+]1C ZINC000336468214 213337135 /nfs/dbraw/zinc/33/71/35/213337135.db2.gz ZCEWIWYDIBJBKW-PWSUYJOCSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292159354 198186870 /nfs/dbraw/zinc/18/68/70/198186870.db2.gz OIZRMNAFQRHZHJ-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292159354 198186871 /nfs/dbraw/zinc/18/68/71/198186871.db2.gz OIZRMNAFQRHZHJ-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292159354 198186872 /nfs/dbraw/zinc/18/68/72/198186872.db2.gz OIZRMNAFQRHZHJ-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292159354 198186873 /nfs/dbraw/zinc/18/68/73/198186873.db2.gz OIZRMNAFQRHZHJ-CJNGLKHVSA-N 2 2 278.827 3.429 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191370 198197101 /nfs/dbraw/zinc/19/71/01/198197101.db2.gz RJPVDDXQGWNZBE-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191370 198197103 /nfs/dbraw/zinc/19/71/03/198197103.db2.gz RJPVDDXQGWNZBE-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191370 198197105 /nfs/dbraw/zinc/19/71/05/198197105.db2.gz RJPVDDXQGWNZBE-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191370 198197107 /nfs/dbraw/zinc/19/71/07/198197107.db2.gz RJPVDDXQGWNZBE-OAHLLOKOSA-N 2 2 298.352 3.233 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cnc2ccsc2c1 ZINC000154612052 188153348 /nfs/dbraw/zinc/15/33/48/188153348.db2.gz UKSWHJMARLYWLL-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cnc2ccsc2c1 ZINC000154612052 188153349 /nfs/dbraw/zinc/15/33/49/188153349.db2.gz UKSWHJMARLYWLL-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP Cc1cc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)ccc1F ZINC000271744650 191301708 /nfs/dbraw/zinc/30/17/08/191301708.db2.gz GEXLFVPDANZPKZ-MRXNPFEDSA-N 2 2 273.355 3.072 20 0 CGADLP COc1ccc([C@H](C)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271744556 191301830 /nfs/dbraw/zinc/30/18/30/191301830.db2.gz SDXXQIBMJCYWPB-CQSZACIVSA-N 2 2 299.418 3.401 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000414341193 235392210 /nfs/dbraw/zinc/39/22/10/235392210.db2.gz OFGLAMKKLFTGPY-DZJNRPSUSA-N 2 2 296.414 3.388 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000414341193 235392212 /nfs/dbraw/zinc/39/22/12/235392212.db2.gz OFGLAMKKLFTGPY-DZJNRPSUSA-N 2 2 296.414 3.388 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)o1 ZINC000093693273 138348118 /nfs/dbraw/zinc/34/81/18/138348118.db2.gz IOGAGQKLDZSOON-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)o1 ZINC000093693273 138348119 /nfs/dbraw/zinc/34/81/19/138348119.db2.gz IOGAGQKLDZSOON-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP C[C@H]([NH3+])CC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423223926 236000602 /nfs/dbraw/zinc/00/06/02/236000602.db2.gz HYRPWOIOWFECFH-UGSOOPFHSA-N 2 2 295.386 3.244 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000423230979 236003682 /nfs/dbraw/zinc/00/36/82/236003682.db2.gz AHPRYKACWGAFFT-LRDDRELGSA-N 2 2 288.366 3.185 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423235075 236004199 /nfs/dbraw/zinc/00/41/99/236004199.db2.gz GFISIVLUNTVLFB-SCLBCKFNSA-N 2 2 282.387 3.067 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423232961 236004409 /nfs/dbraw/zinc/00/44/09/236004409.db2.gz CXDWSFVIKAPQGS-BLLLJJGKSA-N 2 2 258.340 3.176 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239408 236006667 /nfs/dbraw/zinc/00/66/67/236006667.db2.gz JZOXYIWGYQXGKW-MSOLQXFVSA-N 2 2 266.388 3.272 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2sccc21)c1ccccc1 ZINC000423252949 236009978 /nfs/dbraw/zinc/00/99/78/236009978.db2.gz YIHRMVAJXMCWRD-CABCVRRESA-N 2 2 272.417 3.415 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423326158 236039153 /nfs/dbraw/zinc/03/91/53/236039153.db2.gz QPUIKTAODVEMAF-OALUTQOASA-N 2 2 280.415 3.411 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423364132 236051375 /nfs/dbraw/zinc/05/13/75/236051375.db2.gz JNYJCQCBYNTART-WDEREUQCSA-N 2 2 275.421 3.116 20 0 CGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)CCC[NH2+]1 ZINC000423422436 236068538 /nfs/dbraw/zinc/06/85/38/236068538.db2.gz KOXPVYOXWZOGNZ-AEFFLSMTSA-N 2 2 290.451 3.031 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526718 236093622 /nfs/dbraw/zinc/09/36/22/236093622.db2.gz LMOBQGBCASVCMC-AYOQOUSVSA-N 2 2 280.415 3.401 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(F)c1 ZINC000424125942 236121656 /nfs/dbraw/zinc/12/16/56/236121656.db2.gz AXXQBFCGAIZJKF-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000424382379 236159057 /nfs/dbraw/zinc/15/90/57/236159057.db2.gz SCIKJJIANBYPHC-ZIAGYGMSSA-N 2 2 287.432 3.170 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327516 236150101 /nfs/dbraw/zinc/15/01/01/236150101.db2.gz MSOIKWCOODROBO-UDTPNQRGSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327516 236150104 /nfs/dbraw/zinc/15/01/04/236150104.db2.gz MSOIKWCOODROBO-UDTPNQRGSA-N 2 2 299.462 3.070 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000424340900 236153260 /nfs/dbraw/zinc/15/32/60/236153260.db2.gz ZDYRRUIEQQHIDM-HUUCEWRRSA-N 2 2 289.810 3.248 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000425359131 236236321 /nfs/dbraw/zinc/23/63/21/236236321.db2.gz UXWZMKBIFJROHS-IRXDYDNUSA-N 2 2 258.409 3.348 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000336219561 213046010 /nfs/dbraw/zinc/04/60/10/213046010.db2.gz IJGMRRDSBOTOLX-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2ccccc2n1 ZINC000427856959 236349620 /nfs/dbraw/zinc/34/96/20/236349620.db2.gz HLUZVFXPCIHWNH-ZFWWWQNUSA-N 2 2 292.386 3.097 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@@H+]1C1CC1 ZINC000436286509 237070063 /nfs/dbraw/zinc/07/00/63/237070063.db2.gz RFGGUQZSTRBUNJ-WCQYABFASA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@H+]1C1CC1 ZINC000436286509 237070065 /nfs/dbraw/zinc/07/00/65/237070065.db2.gz RFGGUQZSTRBUNJ-WCQYABFASA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCOC1 ZINC000374241314 299297186 /nfs/dbraw/zinc/29/71/86/299297186.db2.gz LOHCGWLHBBNNAZ-IRXDYDNUSA-N 2 2 294.483 3.047 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297422995 200185135 /nfs/dbraw/zinc/18/51/35/200185135.db2.gz MPBZFHASCXTUNN-UHFFFAOYSA-N 2 2 288.410 3.420 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000297592192 200235543 /nfs/dbraw/zinc/23/55/43/200235543.db2.gz FDTASNWIFBPMJX-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000297592192 200235545 /nfs/dbraw/zinc/23/55/45/200235545.db2.gz FDTASNWIFBPMJX-UHFFFAOYSA-N 2 2 275.371 3.012 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000177001327 189019794 /nfs/dbraw/zinc/01/97/94/189019794.db2.gz XJVGYOBTAMQUKU-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000177001327 189019795 /nfs/dbraw/zinc/01/97/95/189019795.db2.gz XJVGYOBTAMQUKU-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)Cn1cc[nH+]c1 ZINC000177568384 189057497 /nfs/dbraw/zinc/05/74/97/189057497.db2.gz LQBXODNNFPAXHF-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177969994 189082293 /nfs/dbraw/zinc/08/22/93/189082293.db2.gz GOPLDIVSDOLNHU-CPUCHLNUSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177969994 189082294 /nfs/dbraw/zinc/08/22/94/189082294.db2.gz GOPLDIVSDOLNHU-CPUCHLNUSA-N 2 2 299.418 3.160 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CCC1 ZINC000178405661 189113638 /nfs/dbraw/zinc/11/36/38/189113638.db2.gz FVSUJMFANISXCL-LBPRGKRZSA-N 2 2 257.381 3.123 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000178825361 189148962 /nfs/dbraw/zinc/14/89/62/189148962.db2.gz RNQNWVGEEWZAIM-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1ccccc1CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181107543 189288521 /nfs/dbraw/zinc/28/85/21/189288521.db2.gz OBCXLUDYJZOATJ-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP Cc1ccccc1CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181107543 189288522 /nfs/dbraw/zinc/28/85/22/189288522.db2.gz OBCXLUDYJZOATJ-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182395527 189322255 /nfs/dbraw/zinc/32/22/55/189322255.db2.gz XYXKABSJZIFWBD-UHFFFAOYSA-N 2 2 288.435 3.066 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182395527 189322256 /nfs/dbraw/zinc/32/22/56/189322256.db2.gz XYXKABSJZIFWBD-UHFFFAOYSA-N 2 2 288.435 3.066 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1Cl ZINC000342346902 216319004 /nfs/dbraw/zinc/31/90/04/216319004.db2.gz JHIBVFZJIKLXCZ-NSHDSACASA-N 2 2 269.820 3.432 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000182614792 189329410 /nfs/dbraw/zinc/32/94/10/189329410.db2.gz SCXAHSUOOYDENG-MRXNPFEDSA-N 2 2 255.365 3.110 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000182614792 189329411 /nfs/dbraw/zinc/32/94/11/189329411.db2.gz SCXAHSUOOYDENG-MRXNPFEDSA-N 2 2 255.365 3.110 20 0 CGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000301652435 201115816 /nfs/dbraw/zinc/11/58/16/201115816.db2.gz KFRGOTRIDXMERG-ZFWWWQNUSA-N 2 2 290.455 3.075 20 0 CGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000301652435 201115819 /nfs/dbraw/zinc/11/58/19/201115819.db2.gz KFRGOTRIDXMERG-ZFWWWQNUSA-N 2 2 290.455 3.075 20 0 CGADLP CC(C)c1cc(NCC[N@@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301882605 201248197 /nfs/dbraw/zinc/24/81/97/201248197.db2.gz XHHDYXLROYDOAT-UHFFFAOYSA-N 2 2 278.444 3.476 20 0 CGADLP CC(C)c1cc(NCC[N@H+](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301882605 201248199 /nfs/dbraw/zinc/24/81/99/201248199.db2.gz XHHDYXLROYDOAT-UHFFFAOYSA-N 2 2 278.444 3.476 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449075163 239161638 /nfs/dbraw/zinc/16/16/38/239161638.db2.gz DGCIAMVGBMUVRC-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449075163 239161644 /nfs/dbraw/zinc/16/16/44/239161644.db2.gz DGCIAMVGBMUVRC-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000449135705 239198147 /nfs/dbraw/zinc/19/81/47/239198147.db2.gz RALJYGNHHNOGKG-KFWWJZLASA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000449135705 239198153 /nfs/dbraw/zinc/19/81/53/239198153.db2.gz RALJYGNHHNOGKG-KFWWJZLASA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457021 370770253 /nfs/dbraw/zinc/77/02/53/370770253.db2.gz BHWSDVAOCVSBRT-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457021 370770258 /nfs/dbraw/zinc/77/02/58/370770258.db2.gz BHWSDVAOCVSBRT-QFBILLFUSA-N 2 2 295.430 3.397 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCSC3(CCC3)CC2)[nH+]1 ZINC000335642419 212360054 /nfs/dbraw/zinc/36/00/54/212360054.db2.gz KLOWRBAFZJLJEL-UHFFFAOYSA-N 2 2 287.432 3.196 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCSC3(CCC3)CC2)[nH+]1 ZINC000335642419 212360056 /nfs/dbraw/zinc/36/00/56/212360056.db2.gz KLOWRBAFZJLJEL-UHFFFAOYSA-N 2 2 287.432 3.196 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)[nH+]1 ZINC000450815170 240097449 /nfs/dbraw/zinc/09/74/49/240097449.db2.gz XETOYUKSUUGDDV-MRXNPFEDSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)[nH+]1 ZINC000450815170 240097455 /nfs/dbraw/zinc/09/74/55/240097455.db2.gz XETOYUKSUUGDDV-MRXNPFEDSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1[nH+]c2ccccn2c1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000451002199 240189255 /nfs/dbraw/zinc/18/92/55/240189255.db2.gz SEGMMUCLFLNUAI-OLZOCXBDSA-N 2 2 294.402 3.258 20 0 CGADLP CSC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068576 240212067 /nfs/dbraw/zinc/21/20/67/240212067.db2.gz QKGCSNLHTOTKDR-HZPDHXFCSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068576 240212069 /nfs/dbraw/zinc/21/20/69/240212069.db2.gz QKGCSNLHTOTKDR-HZPDHXFCSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000451068576 240212074 /nfs/dbraw/zinc/21/20/74/240212074.db2.gz QKGCSNLHTOTKDR-HZPDHXFCSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000451068576 240212075 /nfs/dbraw/zinc/21/20/75/240212075.db2.gz QKGCSNLHTOTKDR-HZPDHXFCSA-N 2 2 284.513 3.324 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423572112 283941029 /nfs/dbraw/zinc/94/10/29/283941029.db2.gz YGSLBOPMYSUPJN-RDJZCZTQSA-N 2 2 276.424 3.268 20 0 CGADLP CC[C@@H](c1ccccc1OC)[N@H+](C)CCc1c[nH+]cn1C ZINC000459543003 242127811 /nfs/dbraw/zinc/12/78/11/242127811.db2.gz XXYVTEKRYSCRII-INIZCTEOSA-N 2 2 287.407 3.054 20 0 CGADLP CC[C@@H](c1ccccc1OC)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459543003 242127815 /nfs/dbraw/zinc/12/78/15/242127815.db2.gz XXYVTEKRYSCRII-INIZCTEOSA-N 2 2 287.407 3.054 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCSCc1ccccc1 ZINC000459550678 242128918 /nfs/dbraw/zinc/12/89/18/242128918.db2.gz PZRIITRFBYBHGA-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459655333 242164147 /nfs/dbraw/zinc/16/41/47/242164147.db2.gz GBWTWWQQWNMGBO-UHFFFAOYSA-N 2 2 277.799 3.023 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1Cl ZINC000462816232 242366102 /nfs/dbraw/zinc/36/61/02/242366102.db2.gz FIZCFJHIGUQHJC-GUYCJALGSA-N 2 2 292.854 3.263 20 0 CGADLP Cc1cc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Cl ZINC000462816232 242366106 /nfs/dbraw/zinc/36/61/06/242366106.db2.gz FIZCFJHIGUQHJC-GUYCJALGSA-N 2 2 292.854 3.263 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC[C@@H]1C ZINC000462834806 242368728 /nfs/dbraw/zinc/36/87/28/242368728.db2.gz AOXVYXSBCISERT-IHETXDGRSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2CCC[C@@H]1C ZINC000462834806 242368732 /nfs/dbraw/zinc/36/87/32/242368732.db2.gz AOXVYXSBCISERT-IHETXDGRSA-N 2 2 272.436 3.240 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2ccc(C)cc21)[NH+]1CCCC1 ZINC000480784887 243166003 /nfs/dbraw/zinc/16/60/03/243166003.db2.gz FGKNTYQMJFVTPN-AEFFLSMTSA-N 2 2 272.436 3.446 20 0 CGADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000482250468 243221481 /nfs/dbraw/zinc/22/14/81/243221481.db2.gz ZWZPUJDUPNSDDA-SJORKVTESA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)CCC=C(C)C)C1 ZINC000482250468 243221485 /nfs/dbraw/zinc/22/14/85/243221485.db2.gz ZWZPUJDUPNSDDA-SJORKVTESA-N 2 2 282.472 3.069 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C)cc1 ZINC000482485525 243227518 /nfs/dbraw/zinc/22/75/18/243227518.db2.gz BONVOYGJFBOCQX-NVXWUHKLSA-N 2 2 262.441 3.102 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](C)c3ccccc3)CC2)c1 ZINC000483519894 243291010 /nfs/dbraw/zinc/29/10/10/243291010.db2.gz RTXFNMBADBEVOR-QGZVFWFLSA-N 2 2 295.430 3.316 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484467506 243313240 /nfs/dbraw/zinc/31/32/40/243313240.db2.gz ACZVOFQBFIQGNY-RHSMWYFYSA-N 2 2 292.492 3.337 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(Cl)cc1 ZINC000485214825 243327273 /nfs/dbraw/zinc/32/72/73/243327273.db2.gz LFEAAQKQCPJGKG-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(Cl)cc1 ZINC000485214825 243327278 /nfs/dbraw/zinc/32/72/78/243327278.db2.gz LFEAAQKQCPJGKG-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC000485214825 243327284 /nfs/dbraw/zinc/32/72/84/243327284.db2.gz LFEAAQKQCPJGKG-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1 ZINC000485214825 243327290 /nfs/dbraw/zinc/32/72/90/243327290.db2.gz LFEAAQKQCPJGKG-SJORKVTESA-N 2 2 292.854 3.441 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000486952365 243384018 /nfs/dbraw/zinc/38/40/18/243384018.db2.gz XUZYSMGATORDMW-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1ccc2ccccc2[nH+]1 ZINC000020018441 368793858 /nfs/dbraw/zinc/79/38/58/368793858.db2.gz HYFUKGYGFWNEKG-UHFFFAOYSA-N 2 2 257.381 3.235 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000035010037 368988297 /nfs/dbraw/zinc/98/82/97/368988297.db2.gz CJFOVQBULDDUJL-NSHDSACASA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000037158070 369073292 /nfs/dbraw/zinc/07/32/92/369073292.db2.gz COVQUIOXKYMGPK-HOCLYGCPSA-N 2 2 257.381 3.321 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC000037764239 369105826 /nfs/dbraw/zinc/10/58/26/369105826.db2.gz NZRANHCHPYNPCQ-FUDCBSFHSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000037764239 369105831 /nfs/dbraw/zinc/10/58/31/369105831.db2.gz NZRANHCHPYNPCQ-FUDCBSFHSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000343548481 216817919 /nfs/dbraw/zinc/81/79/19/216817919.db2.gz KDTJVDJCNSNSFH-JKSUJKDBSA-N 2 2 287.451 3.072 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119047 369174510 /nfs/dbraw/zinc/17/45/10/369174510.db2.gz DVUCLTMPLHMPFX-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000041631409 369193099 /nfs/dbraw/zinc/19/30/99/369193099.db2.gz ZOSYQXZJYBGKLR-VXGBXAGGSA-N 2 2 263.410 3.246 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044683820 369265611 /nfs/dbraw/zinc/26/56/11/369265611.db2.gz VXIWCNKCTSTABH-MRXNPFEDSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044683820 369265619 /nfs/dbraw/zinc/26/56/19/369265619.db2.gz VXIWCNKCTSTABH-MRXNPFEDSA-N 2 2 266.388 3.166 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684172 369265907 /nfs/dbraw/zinc/26/59/07/369265907.db2.gz BNOWQCGDPNPWKL-FZMZJTMJSA-N 2 2 264.800 3.227 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000044684172 369265915 /nfs/dbraw/zinc/26/59/15/369265915.db2.gz BNOWQCGDPNPWKL-FZMZJTMJSA-N 2 2 264.800 3.227 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685055 369265929 /nfs/dbraw/zinc/26/59/29/369265929.db2.gz YVYVBBAVHZKFGK-ZBFHGGJFSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685055 369265936 /nfs/dbraw/zinc/26/59/36/369265936.db2.gz YVYVBBAVHZKFGK-ZBFHGGJFSA-N 2 2 258.409 3.191 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494393796 244285433 /nfs/dbraw/zinc/28/54/33/244285433.db2.gz SVPODKRMJVZKGC-QLFBSQMISA-N 2 2 261.413 3.004 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000494394292 244286209 /nfs/dbraw/zinc/28/62/09/244286209.db2.gz UYFGKQMLOSGCNT-GFCCVEGCSA-N 2 2 289.448 3.347 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2c1C ZINC000494413368 244288428 /nfs/dbraw/zinc/28/84/28/244288428.db2.gz SLEBQVCOFOALPM-CQSZACIVSA-N 2 2 294.402 3.086 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000045663080 369284015 /nfs/dbraw/zinc/28/40/15/369284015.db2.gz PJPXUOZBSRSMKG-LBPRGKRZSA-N 2 2 299.256 3.442 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000495107684 244357537 /nfs/dbraw/zinc/35/75/37/244357537.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495107684 244357539 /nfs/dbraw/zinc/35/75/39/244357539.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495107684 244357544 /nfs/dbraw/zinc/35/75/44/244357544.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495107684 244357546 /nfs/dbraw/zinc/35/75/46/244357546.db2.gz JWOUKBFDDUKPSG-WMLDXEAASA-N 2 2 292.854 3.483 20 0 CGADLP CC[C@H](C[NH2+]CC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000047848579 369329010 /nfs/dbraw/zinc/32/90/10/369329010.db2.gz DHHWWSNKVCHDFP-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CC[C@H](C[NH2+]CC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000047848579 369329015 /nfs/dbraw/zinc/32/90/15/369329015.db2.gz DHHWWSNKVCHDFP-QGZVFWFLSA-N 2 2 260.425 3.069 20 0 CGADLP CCc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)o1 ZINC000051721804 369453938 /nfs/dbraw/zinc/45/39/38/369453938.db2.gz IFMFYPDPIWXAOW-UHFFFAOYSA-N 2 2 264.413 3.054 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000053201199 369480977 /nfs/dbraw/zinc/48/09/77/369480977.db2.gz TZGOCWZGRWXJJR-CQSZACIVSA-N 2 2 278.399 3.440 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000053201199 369480979 /nfs/dbraw/zinc/48/09/79/369480979.db2.gz TZGOCWZGRWXJJR-CQSZACIVSA-N 2 2 278.399 3.440 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000061823357 369608729 /nfs/dbraw/zinc/60/87/29/369608729.db2.gz VLDCBCWYVQGTBH-OAHLLOKOSA-N 2 2 264.457 3.421 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000063191877 369642641 /nfs/dbraw/zinc/64/26/41/369642641.db2.gz AHPDORFRGLYIEH-SWLSCSKDSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000063191877 369642647 /nfs/dbraw/zinc/64/26/47/369642647.db2.gz AHPDORFRGLYIEH-SWLSCSKDSA-N 2 2 264.438 3.110 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254366 369623430 /nfs/dbraw/zinc/62/34/30/369623430.db2.gz LLNNAROJOIUJJL-OAHLLOKOSA-N 2 2 287.407 3.096 20 0 CGADLP CC(C)c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000067500550 369719551 /nfs/dbraw/zinc/71/95/51/369719551.db2.gz JQAFIXKHOACXPC-HNNXBMFYSA-N 2 2 271.408 3.432 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@@H+]1C ZINC000090721866 370066542 /nfs/dbraw/zinc/06/65/42/370066542.db2.gz VXXUTXZUCSZDFK-WDEREUQCSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)CC[N@H+]1C ZINC000090721866 370066545 /nfs/dbraw/zinc/06/65/45/370066545.db2.gz VXXUTXZUCSZDFK-WDEREUQCSA-N 2 2 270.779 3.051 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1nccs1 ZINC000093404873 370124541 /nfs/dbraw/zinc/12/45/41/370124541.db2.gz APXUTRQECHEFKN-CYBMUJFWSA-N 2 2 269.458 3.306 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093597026 370145277 /nfs/dbraw/zinc/14/52/77/370145277.db2.gz SHBVNLSRMVASIZ-AWEZNQCLSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093597026 370145280 /nfs/dbraw/zinc/14/52/80/370145280.db2.gz SHBVNLSRMVASIZ-AWEZNQCLSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000512022188 245015456 /nfs/dbraw/zinc/01/54/56/245015456.db2.gz FUXQRLBIRQQRNB-BTBCPRSTSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000512022188 245015464 /nfs/dbraw/zinc/01/54/64/245015464.db2.gz FUXQRLBIRQQRNB-BTBCPRSTSA-N 2 2 292.373 3.193 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129620473 370996340 /nfs/dbraw/zinc/99/63/40/370996340.db2.gz KIVQVCHGPCXXAU-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129620473 370996347 /nfs/dbraw/zinc/99/63/47/370996347.db2.gz KIVQVCHGPCXXAU-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(C(C)(C)C)cs1 ZINC000130380987 371029073 /nfs/dbraw/zinc/02/90/73/371029073.db2.gz VRAPCWBILIVBCK-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(C(C)(C)C)cs1 ZINC000130380987 371029078 /nfs/dbraw/zinc/02/90/78/371029078.db2.gz VRAPCWBILIVBCK-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C[N@@H+]1C1CC1 ZINC000131237149 371092350 /nfs/dbraw/zinc/09/23/50/371092350.db2.gz XBQZUFYPVARFIM-QWHCGFSZSA-N 2 2 278.465 3.241 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccs2)C[N@H+]1C1CC1 ZINC000131237149 371092353 /nfs/dbraw/zinc/09/23/53/371092353.db2.gz XBQZUFYPVARFIM-QWHCGFSZSA-N 2 2 278.465 3.241 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533615 371113448 /nfs/dbraw/zinc/11/34/48/371113448.db2.gz TXNQSYKCOSNBOA-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000131533615 371113450 /nfs/dbraw/zinc/11/34/50/371113450.db2.gz TXNQSYKCOSNBOA-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000132263645 371162104 /nfs/dbraw/zinc/16/21/04/371162104.db2.gz GWUFYKJGZNRLKL-HNNXBMFYSA-N 2 2 285.435 3.498 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000133056185 371223255 /nfs/dbraw/zinc/22/32/55/371223255.db2.gz BSFXKZRYYLJLJQ-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000133056185 371223261 /nfs/dbraw/zinc/22/32/61/371223261.db2.gz BSFXKZRYYLJLJQ-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP CC1CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000019233155 541854178 /nfs/dbraw/zinc/85/41/78/541854178.db2.gz LTQQBPLEGAZYIL-BDVYOWHSSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(Cl)c1F ZINC000136060395 371458688 /nfs/dbraw/zinc/45/86/88/371458688.db2.gz BRRAXHKUHPBSHL-ZDUSSCGKSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000136060395 371458694 /nfs/dbraw/zinc/45/86/94/371458694.db2.gz BRRAXHKUHPBSHL-ZDUSSCGKSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(Cl)c1F ZINC000136060367 371458872 /nfs/dbraw/zinc/45/88/72/371458872.db2.gz BRRAXHKUHPBSHL-CYBMUJFWSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000136060367 371458876 /nfs/dbraw/zinc/45/88/76/371458876.db2.gz BRRAXHKUHPBSHL-CYBMUJFWSA-N 2 2 272.795 3.284 20 0 CGADLP Cc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084581 371459729 /nfs/dbraw/zinc/45/97/29/371459729.db2.gz PKOVAEROIDUEOJ-NVXWUHKLSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084581 371459734 /nfs/dbraw/zinc/45/97/34/371459734.db2.gz PKOVAEROIDUEOJ-NVXWUHKLSA-N 2 2 299.418 3.153 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842378 371542913 /nfs/dbraw/zinc/54/29/13/371542913.db2.gz UDOYBTOHOWLSMU-HNNXBMFYSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842378 371542925 /nfs/dbraw/zinc/54/29/25/371542925.db2.gz UDOYBTOHOWLSMU-HNNXBMFYSA-N 2 2 278.827 3.258 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000020190177 541855282 /nfs/dbraw/zinc/85/52/82/541855282.db2.gz ONQIGYCATWWQAQ-LLVKDONJSA-N 2 2 281.469 3.285 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151688533 371625980 /nfs/dbraw/zinc/62/59/80/371625980.db2.gz ZTVGOHJTPTUYMF-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000353317298 220022737 /nfs/dbraw/zinc/02/27/37/220022737.db2.gz VWZFNDZITPLDKM-NWDGAFQWSA-N 2 2 271.355 3.075 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000421823659 371645488 /nfs/dbraw/zinc/64/54/88/371645488.db2.gz DOXUYXBTVSTACB-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000421823659 371645497 /nfs/dbraw/zinc/64/54/97/371645497.db2.gz DOXUYXBTVSTACB-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421824703 371647143 /nfs/dbraw/zinc/64/71/43/371647143.db2.gz JXTPIOHJRMRKJM-BXUZGUMPSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000421824703 371647150 /nfs/dbraw/zinc/64/71/50/371647150.db2.gz JXTPIOHJRMRKJM-BXUZGUMPSA-N 2 2 296.817 3.236 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152799014 371725474 /nfs/dbraw/zinc/72/54/74/371725474.db2.gz JRXFMTGOPBZURS-SFHVURJKSA-N 2 2 295.430 3.347 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cc2c1C ZINC000422720275 371767755 /nfs/dbraw/zinc/76/77/55/371767755.db2.gz MKFHBNUWJJPBBT-YOEHRIQHSA-N 2 2 285.435 3.405 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1(C)CC1 ZINC000153820889 371790287 /nfs/dbraw/zinc/79/02/87/371790287.db2.gz RIDTXZOQHMSLNH-AWEZNQCLSA-N 2 2 282.497 3.126 20 0 CGADLP CC[C@H](C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422779426 371800871 /nfs/dbraw/zinc/80/08/71/371800871.db2.gz IRZVBDAAKGNHCR-CQDKDKBSSA-N 2 2 266.816 3.379 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[NH+]1CCCCCC1 ZINC000337375441 214037668 /nfs/dbraw/zinc/03/76/68/214037668.db2.gz GKCMCGWKJFSCQU-PMPSAXMXSA-N 2 2 250.430 3.031 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422869928 371846104 /nfs/dbraw/zinc/84/61/04/371846104.db2.gz BCXJHAMZAKHEJV-IMJJTQAJSA-N 2 2 276.424 3.142 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875564 371850206 /nfs/dbraw/zinc/85/02/06/371850206.db2.gz PEMAHAKYMZPBRE-SJORKVTESA-N 2 2 282.387 3.238 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880651 371850940 /nfs/dbraw/zinc/85/09/40/371850940.db2.gz XJAXWBXQZRCUQA-XFBWCDHKSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000422912573 371866380 /nfs/dbraw/zinc/86/63/80/371866380.db2.gz NKTMZPHWSRFDGB-FKJOKYEKSA-N 2 2 279.453 3.200 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916657 371868506 /nfs/dbraw/zinc/86/85/06/371868506.db2.gz BHGPMRMCPQCSAA-UHOFOFEASA-N 2 2 296.842 3.148 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290005545 371876713 /nfs/dbraw/zinc/87/67/13/371876713.db2.gz LMQKDUXWJKLZDW-HOTGVXAUSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290005545 371876717 /nfs/dbraw/zinc/87/67/17/371876717.db2.gz LMQKDUXWJKLZDW-HOTGVXAUSA-N 2 2 283.419 3.149 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000422946946 371886798 /nfs/dbraw/zinc/88/67/98/371886798.db2.gz XJJNPELYEYEVHV-HZPDHXFCSA-N 2 2 286.350 3.069 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948749 371886904 /nfs/dbraw/zinc/88/69/04/371886904.db2.gz SUSOYUJGQRBJJQ-RDTXWAMCSA-N 2 2 288.435 3.096 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000422959517 371892518 /nfs/dbraw/zinc/89/25/18/371892518.db2.gz SKCCRFOSRYMOMO-BRWVUGGUSA-N 2 2 298.361 3.384 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423064712 371942901 /nfs/dbraw/zinc/94/29/01/371942901.db2.gz AFIFYWTZJGPDGG-UONOGXRCSA-N 2 2 288.391 3.191 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000155043824 371900550 /nfs/dbraw/zinc/90/05/50/371900550.db2.gz PXSLZPGXZUVRQP-WBMJQRKESA-N 2 2 282.378 3.299 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000155043824 371900554 /nfs/dbraw/zinc/90/05/54/371900554.db2.gz PXSLZPGXZUVRQP-WBMJQRKESA-N 2 2 282.378 3.299 20 0 CGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423066986 371944040 /nfs/dbraw/zinc/94/40/40/371944040.db2.gz YKSXHFLNRWNOGW-JKSUJKDBSA-N 2 2 286.350 3.069 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Cl ZINC000423111486 371971836 /nfs/dbraw/zinc/97/18/36/371971836.db2.gz WBNPWZUKDQHJAU-SWLSCSKDSA-N 2 2 296.842 3.359 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423128540 371980220 /nfs/dbraw/zinc/98/02/20/371980220.db2.gz KWBOSCUUIKACLB-DOMZBBRYSA-N 2 2 264.438 3.029 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423139653 371987146 /nfs/dbraw/zinc/98/71/46/371987146.db2.gz WBAROZBQUZSQNL-GJZGRUSLSA-N 2 2 282.378 3.419 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000155821622 371947695 /nfs/dbraw/zinc/94/76/95/371947695.db2.gz XRZPZCYTIUNAKZ-GOSISDBHSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000155821622 371947699 /nfs/dbraw/zinc/94/76/99/371947699.db2.gz XRZPZCYTIUNAKZ-GOSISDBHSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOCc1ccccc1 ZINC000290296986 371955411 /nfs/dbraw/zinc/95/54/11/371955411.db2.gz HMKQRNUIHOPJAC-UHFFFAOYSA-N 2 2 284.403 3.129 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423189090 372016907 /nfs/dbraw/zinc/01/69/07/372016907.db2.gz MFSARDJXZZVOOK-FRRDWIJNSA-N 2 2 289.448 3.130 20 0 CGADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC[NH3+])cc2)c1 ZINC000423192338 372018746 /nfs/dbraw/zinc/01/87/46/372018746.db2.gz UNXKVVGLQJUBNH-OAHLLOKOSA-N 2 2 284.403 3.183 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2cc(Cl)ccc2o1 ZINC000423196211 372021489 /nfs/dbraw/zinc/02/14/89/372021489.db2.gz UVVSTSZHWVCZFD-MFKMUULPSA-N 2 2 278.783 3.489 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423197514 372021713 /nfs/dbraw/zinc/02/17/13/372021713.db2.gz ZRFSPNIJYQDPMT-KDOFPFPSSA-N 2 2 281.403 3.151 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC000157491363 372023988 /nfs/dbraw/zinc/02/39/88/372023988.db2.gz TUDFHLIUPFWQTK-JXMROGBWSA-N 2 2 258.409 3.116 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC000157491363 372023994 /nfs/dbraw/zinc/02/39/94/372023994.db2.gz TUDFHLIUPFWQTK-JXMROGBWSA-N 2 2 258.409 3.116 20 0 CGADLP CC[C@H](CSC)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290663402 372036057 /nfs/dbraw/zinc/03/60/57/372036057.db2.gz ZVBMRHVQYRYGFE-OAHLLOKOSA-N 2 2 266.454 3.396 20 0 CGADLP CC[C@H](CSC)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290663402 372036063 /nfs/dbraw/zinc/03/60/63/372036063.db2.gz ZVBMRHVQYRYGFE-OAHLLOKOSA-N 2 2 266.454 3.396 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000423222828 372040174 /nfs/dbraw/zinc/04/01/74/372040174.db2.gz CWAVMDZKYCUGAT-CQSZACIVSA-N 2 2 270.376 3.349 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229089 372042012 /nfs/dbraw/zinc/04/20/12/372042012.db2.gz AGGAJVYBKUUVOI-RNCFNFMXSA-N 2 2 285.218 3.322 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423279279 372045994 /nfs/dbraw/zinc/04/59/94/372045994.db2.gz RBWGENHZATUYFP-STQMWFEESA-N 2 2 285.218 3.308 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423297673 372049864 /nfs/dbraw/zinc/04/98/64/372049864.db2.gz LHORTLNYUHBVJV-OCCSQVGLSA-N 2 2 282.428 3.470 20 0 CGADLP CSC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423319852 372051318 /nfs/dbraw/zinc/05/13/18/372051318.db2.gz FSVNDHMCZFBLGY-SKDRFNHKSA-N 2 2 292.370 3.046 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423177961 372007034 /nfs/dbraw/zinc/00/70/34/372007034.db2.gz BJQRXAAMWSNWFF-HIFRSBDPSA-N 2 2 270.376 3.349 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423185448 372012180 /nfs/dbraw/zinc/01/21/80/372012180.db2.gz JKYNXISJTXFKIL-DYVFJYSZSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000040671840 541868781 /nfs/dbraw/zinc/86/87/81/541868781.db2.gz QNXTZIATMXCGSM-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000040671840 541868784 /nfs/dbraw/zinc/86/87/84/541868784.db2.gz QNXTZIATMXCGSM-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672706 541869457 /nfs/dbraw/zinc/86/94/57/541869457.db2.gz SPNNLCMXFLJGGK-IRXDYDNUSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672706 541869463 /nfs/dbraw/zinc/86/94/63/541869463.db2.gz SPNNLCMXFLJGGK-IRXDYDNUSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CC34CCCC4)c[nH+]c12 ZINC000428540608 372228584 /nfs/dbraw/zinc/22/85/84/372228584.db2.gz OKEBNQVEDURVHY-AWEZNQCLSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142146 372306011 /nfs/dbraw/zinc/30/60/11/372306011.db2.gz NAVSTRYOQSBVKP-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161142146 372306014 /nfs/dbraw/zinc/30/60/14/372306014.db2.gz NAVSTRYOQSBVKP-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344323607 217150019 /nfs/dbraw/zinc/15/00/19/217150019.db2.gz IRXNUPQDDOQOEE-PBHICJAKSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344323607 217150022 /nfs/dbraw/zinc/15/00/22/217150022.db2.gz IRXNUPQDDOQOEE-PBHICJAKSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1C ZINC000344326776 217151210 /nfs/dbraw/zinc/15/12/10/217151210.db2.gz OAZUSIGVUFIXKY-RDJZCZTQSA-N 2 2 260.425 3.184 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1C ZINC000344326776 217151211 /nfs/dbraw/zinc/15/12/11/217151211.db2.gz OAZUSIGVUFIXKY-RDJZCZTQSA-N 2 2 260.425 3.184 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000162774127 372420251 /nfs/dbraw/zinc/42/02/51/372420251.db2.gz ILIOHYFAVMXCGS-XUJVJEKNSA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000162774127 372420259 /nfs/dbraw/zinc/42/02/59/372420259.db2.gz ILIOHYFAVMXCGS-XUJVJEKNSA-N 2 2 296.842 3.167 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)ccc1Cl ZINC000344341254 217158941 /nfs/dbraw/zinc/15/89/41/217158941.db2.gz BRYJGKWSEYVMCL-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1Cl ZINC000344341254 217158942 /nfs/dbraw/zinc/15/89/42/217158942.db2.gz BRYJGKWSEYVMCL-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000162763411 372418771 /nfs/dbraw/zinc/41/87/71/372418771.db2.gz MQOODGFQJSVTCY-GOSISDBHSA-N 2 2 299.418 3.045 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000162763411 372418779 /nfs/dbraw/zinc/41/87/79/372418779.db2.gz MQOODGFQJSVTCY-GOSISDBHSA-N 2 2 299.418 3.045 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000162911315 372433058 /nfs/dbraw/zinc/43/30/58/372433058.db2.gz LNWRBFFGJCEHQR-AWEZNQCLSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cscn1 ZINC000163250517 372456963 /nfs/dbraw/zinc/45/69/63/372456963.db2.gz DFZRXZRAEUAVGT-NSHDSACASA-N 2 2 267.442 3.057 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000163405170 372466826 /nfs/dbraw/zinc/46/68/26/372466826.db2.gz QHHDTLAJSIWMPR-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000163405170 372466832 /nfs/dbraw/zinc/46/68/32/372466832.db2.gz QHHDTLAJSIWMPR-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163766844 372491520 /nfs/dbraw/zinc/49/15/20/372491520.db2.gz FRMQDMKKOYXUFR-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000163766844 372491522 /nfs/dbraw/zinc/49/15/22/372491522.db2.gz FRMQDMKKOYXUFR-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP CCOCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165132010 372543690 /nfs/dbraw/zinc/54/36/90/372543690.db2.gz HKFRVOBSTGBDLZ-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166382651 372573309 /nfs/dbraw/zinc/57/33/09/372573309.db2.gz KEYPZJBZEOVMHD-VNHYZAJKSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166382651 372573314 /nfs/dbraw/zinc/57/33/14/372573314.db2.gz KEYPZJBZEOVMHD-VNHYZAJKSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000166950642 372587214 /nfs/dbraw/zinc/58/72/14/372587214.db2.gz DBCOKSPZMCOIGF-YCPHGPKFSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000166950642 372587220 /nfs/dbraw/zinc/58/72/20/372587220.db2.gz DBCOKSPZMCOIGF-YCPHGPKFSA-N 2 2 258.409 3.271 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643244 372646630 /nfs/dbraw/zinc/64/66/30/372646630.db2.gz DGYFXSVUAGNRRR-UHFFFAOYSA-N 2 2 255.365 3.245 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643244 372646635 /nfs/dbraw/zinc/64/66/35/372646635.db2.gz DGYFXSVUAGNRRR-UHFFFAOYSA-N 2 2 255.365 3.245 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434991110 372724321 /nfs/dbraw/zinc/72/43/21/372724321.db2.gz LBPOIZZUASZRSP-YOEHRIQHSA-N 2 2 291.439 3.184 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295445031 372783347 /nfs/dbraw/zinc/78/33/47/372783347.db2.gz PSDMJNAKGUWTOX-LPHOPBHVSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295445031 372783353 /nfs/dbraw/zinc/78/33/53/372783353.db2.gz PSDMJNAKGUWTOX-LPHOPBHVSA-N 2 2 295.430 3.000 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000435871698 372821688 /nfs/dbraw/zinc/82/16/88/372821688.db2.gz LFHIXCUPAJNLRI-ZDUSSCGKSA-N 2 2 275.421 3.043 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000435871698 372821691 /nfs/dbraw/zinc/82/16/91/372821691.db2.gz LFHIXCUPAJNLRI-ZDUSSCGKSA-N 2 2 275.421 3.043 20 0 CGADLP C[NH2+]CCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000435885760 372823789 /nfs/dbraw/zinc/82/37/89/372823789.db2.gz NVUSEGJDDVXOAK-UHFFFAOYSA-N 2 2 280.462 3.421 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCC(F)(F)F)c[nH+]1 ZINC000353434086 220080891 /nfs/dbraw/zinc/08/08/91/220080891.db2.gz AWQSPVLWSATUME-UHFFFAOYSA-N 2 2 260.303 3.207 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCC(F)(F)F)c[nH+]1 ZINC000353434086 220080895 /nfs/dbraw/zinc/08/08/95/220080895.db2.gz AWQSPVLWSATUME-UHFFFAOYSA-N 2 2 260.303 3.207 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)CCCc2ccc(C)[nH+]c2)CC1 ZINC000353445178 220087906 /nfs/dbraw/zinc/08/79/06/220087906.db2.gz CJZUDCIXGSOGQH-UHFFFAOYSA-N 3 2 289.467 3.129 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)CCCc2ccc(C)[nH+]c2)CC1 ZINC000353445178 220087909 /nfs/dbraw/zinc/08/79/09/220087909.db2.gz CJZUDCIXGSOGQH-UHFFFAOYSA-N 3 2 289.467 3.129 20 0 CGADLP C[C@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC000438339604 372929339 /nfs/dbraw/zinc/92/93/39/372929339.db2.gz UJEDTUICGLTBBX-CYBMUJFWSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000353523990 220137317 /nfs/dbraw/zinc/13/73/17/220137317.db2.gz VLACEWXHTRCYKX-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000353523990 220137321 /nfs/dbraw/zinc/13/73/21/220137321.db2.gz VLACEWXHTRCYKX-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCSC1 ZINC000295996130 372988387 /nfs/dbraw/zinc/98/83/87/372988387.db2.gz KQHCIIZIWNOTKV-NSHDSACASA-N 2 2 293.823 3.121 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296238603 373063278 /nfs/dbraw/zinc/06/32/78/373063278.db2.gz ARZKMOXYUPGFLB-NWDGAFQWSA-N 2 2 293.798 3.039 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296238608 373063795 /nfs/dbraw/zinc/06/37/95/373063795.db2.gz ARZKMOXYUPGFLB-RYUDHWBXSA-N 2 2 293.798 3.039 20 0 CGADLP Cc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)o1 ZINC000173571343 373160447 /nfs/dbraw/zinc/16/04/47/373160447.db2.gz ZPGVSGFCNOSBJI-UHFFFAOYSA-N 2 2 252.402 3.187 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000173908292 373214440 /nfs/dbraw/zinc/21/44/40/373214440.db2.gz PJVWHHITONRMPE-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000173908292 373214446 /nfs/dbraw/zinc/21/44/46/373214446.db2.gz PJVWHHITONRMPE-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000173908292 373214455 /nfs/dbraw/zinc/21/44/55/373214455.db2.gz PJVWHHITONRMPE-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000173908292 373214464 /nfs/dbraw/zinc/21/44/64/373214464.db2.gz PJVWHHITONRMPE-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000298402736 373316471 /nfs/dbraw/zinc/31/64/71/373316471.db2.gz LWFMXQRFQKKVHB-SFHVURJKSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000298402736 373316480 /nfs/dbraw/zinc/31/64/80/373316480.db2.gz LWFMXQRFQKKVHB-SFHVURJKSA-N 2 2 283.419 3.060 20 0 CGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1 ZINC000344937065 217361034 /nfs/dbraw/zinc/36/10/34/217361034.db2.gz YUSSRQRZDSOGQD-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836034 373369273 /nfs/dbraw/zinc/36/92/73/373369273.db2.gz OENQMFTWUAPOHY-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836034 373369279 /nfs/dbraw/zinc/36/92/79/373369279.db2.gz OENQMFTWUAPOHY-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446976681 373389850 /nfs/dbraw/zinc/38/98/50/373389850.db2.gz IRRBFNXGHYXCOG-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446976681 373389853 /nfs/dbraw/zinc/38/98/53/373389853.db2.gz IRRBFNXGHYXCOG-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353626582 220201233 /nfs/dbraw/zinc/20/12/33/220201233.db2.gz UIZVVERXQIXFGT-TZMCWYRMSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353626582 220201238 /nfs/dbraw/zinc/20/12/38/220201238.db2.gz UIZVVERXQIXFGT-TZMCWYRMSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(OCC3CC3)CC2)c[nH+]1 ZINC000353618196 220196298 /nfs/dbraw/zinc/19/62/98/220196298.db2.gz AKWXATIWSGSGHA-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299340310 373511512 /nfs/dbraw/zinc/51/15/12/373511512.db2.gz OGZCGZHJAYOIPK-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP CCC1([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000448552522 373587384 /nfs/dbraw/zinc/58/73/84/373587384.db2.gz DONRFDGKWSNTLC-ZBFHGGJFSA-N 2 2 258.409 3.182 20 0 CGADLP CCC1([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448552522 373587387 /nfs/dbraw/zinc/58/73/87/373587387.db2.gz DONRFDGKWSNTLC-ZBFHGGJFSA-N 2 2 258.409 3.182 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000177014044 373648167 /nfs/dbraw/zinc/64/81/67/373648167.db2.gz HUJUDHZWXWJGKW-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000177014044 373648174 /nfs/dbraw/zinc/64/81/74/373648174.db2.gz HUJUDHZWXWJGKW-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]cn1)c1ccsc1 ZINC000301257189 373714640 /nfs/dbraw/zinc/71/46/40/373714640.db2.gz RDNSBWWUIOWFOP-CQSZACIVSA-N 2 2 290.436 3.342 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301239878 373705950 /nfs/dbraw/zinc/70/59/50/373705950.db2.gz LYLSINSNIVQNDM-ZIAGYGMSSA-N 2 2 288.439 3.134 20 0 CGADLP CC(C)c1nc(NC[C@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000301239040 373706154 /nfs/dbraw/zinc/70/61/54/373706154.db2.gz LMOCZVPUNSEQPF-AWEZNQCLSA-N 2 2 276.428 3.134 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@H](C)[C@@H]2C)c[nH+]1 ZINC000353659308 220233104 /nfs/dbraw/zinc/23/31/04/220233104.db2.gz RDDOSFMCXGNNFV-UONOGXRCSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@H](C)[C@@H]2C)c[nH+]1 ZINC000353659308 220233108 /nfs/dbraw/zinc/23/31/08/220233108.db2.gz RDDOSFMCXGNNFV-UONOGXRCSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@@H](C)[C@H]2C)c[nH+]1 ZINC000353659307 220234205 /nfs/dbraw/zinc/23/42/05/220234205.db2.gz RDDOSFMCXGNNFV-KGLIPLIRSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@@H](C)[C@H]2C)c[nH+]1 ZINC000353659307 220234210 /nfs/dbraw/zinc/23/42/10/220234210.db2.gz RDDOSFMCXGNNFV-KGLIPLIRSA-N 2 2 264.438 3.148 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000178414477 373775915 /nfs/dbraw/zinc/77/59/15/373775915.db2.gz PJVMKGLYJNYPLY-ZDUSSCGKSA-N 2 2 296.842 3.485 20 0 CGADLP C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178875080 373814534 /nfs/dbraw/zinc/81/45/34/373814534.db2.gz OPLUDDSWDFQILH-OAHLLOKOSA-N 2 2 299.418 3.076 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000179000621 373824985 /nfs/dbraw/zinc/82/49/85/373824985.db2.gz NKQNYYIEXVPCOC-ZDUSSCGKSA-N 2 2 283.375 3.364 20 0 CGADLP CC[N@H+](C)[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302762084 373954936 /nfs/dbraw/zinc/95/49/36/373954936.db2.gz KLDSELPVWGHIDY-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@@H+](C)[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302762084 373954938 /nfs/dbraw/zinc/95/49/38/373954938.db2.gz KLDSELPVWGHIDY-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CCOc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179831642 373921877 /nfs/dbraw/zinc/92/18/77/373921877.db2.gz XOQMBOCIXAFLEE-UHFFFAOYSA-N 2 2 276.424 3.048 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC3(C2)CCCCC3)[nH+]1 ZINC000180449665 374008281 /nfs/dbraw/zinc/00/82/81/374008281.db2.gz FSSUVMJNPLFWPO-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC3(C2)CCCCC3)[nH+]1 ZINC000180449665 374008287 /nfs/dbraw/zinc/00/82/87/374008287.db2.gz FSSUVMJNPLFWPO-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668111 374032293 /nfs/dbraw/zinc/03/22/93/374032293.db2.gz XRCJDEXRCOJDCB-DZGCQCFKSA-N 2 2 289.448 3.440 20 0 CGADLP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668111 374032299 /nfs/dbraw/zinc/03/22/99/374032299.db2.gz XRCJDEXRCOJDCB-DZGCQCFKSA-N 2 2 289.448 3.440 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000181681880 374154616 /nfs/dbraw/zinc/15/46/16/374154616.db2.gz BPAGNEZMVMCLID-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000181681880 374154622 /nfs/dbraw/zinc/15/46/22/374154622.db2.gz BPAGNEZMVMCLID-INIZCTEOSA-N 2 2 291.439 3.071 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000182000751 374203048 /nfs/dbraw/zinc/20/30/48/374203048.db2.gz NGBULTALWPJEIY-CZUORRHYSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000182000751 374203054 /nfs/dbraw/zinc/20/30/54/374203054.db2.gz NGBULTALWPJEIY-CZUORRHYSA-N 2 2 282.378 3.346 20 0 CGADLP Cc1sccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000312960857 374297222 /nfs/dbraw/zinc/29/72/22/374297222.db2.gz UAOIDESAOKTMHQ-UHFFFAOYSA-N 2 2 287.432 3.210 20 0 CGADLP C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892199 374308187 /nfs/dbraw/zinc/30/81/87/374308187.db2.gz RPRFUAUAJQCMNO-QZTJIDSGSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892199 374308198 /nfs/dbraw/zinc/30/81/98/374308198.db2.gz RPRFUAUAJQCMNO-QZTJIDSGSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892198 374309260 /nfs/dbraw/zinc/30/92/60/374309260.db2.gz RPRFUAUAJQCMNO-MSOLQXFVSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892198 374309264 /nfs/dbraw/zinc/30/92/64/374309264.db2.gz RPRFUAUAJQCMNO-MSOLQXFVSA-N 2 2 294.483 3.190 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182748143 374321210 /nfs/dbraw/zinc/32/12/10/374321210.db2.gz HUMQGXBUWBWVLH-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP COc1ccccc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182748143 374321218 /nfs/dbraw/zinc/32/12/18/374321218.db2.gz HUMQGXBUWBWVLH-MRXNPFEDSA-N 2 2 285.391 3.119 20 0 CGADLP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000318314308 374341993 /nfs/dbraw/zinc/34/19/93/374341993.db2.gz QZGOLTIQSXKSMT-DOPJRALCSA-N 2 2 297.402 3.090 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)[N@H+](C)C1CC1 ZINC000328126011 374360304 /nfs/dbraw/zinc/36/03/04/374360304.db2.gz UAOQAGVWVXZAHT-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)[N@@H+](C)C1CC1 ZINC000328126011 374360308 /nfs/dbraw/zinc/36/03/08/374360308.db2.gz UAOQAGVWVXZAHT-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP COC1(C[NH2+]CC[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000319478492 374345990 /nfs/dbraw/zinc/34/59/90/374345990.db2.gz RXMYNMSKOKSBNI-UHFFFAOYSA-N 2 2 290.451 3.057 20 0 CGADLP COC1(C[NH2+]CC[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000319478492 374345997 /nfs/dbraw/zinc/34/59/97/374345997.db2.gz RXMYNMSKOKSBNI-UHFFFAOYSA-N 2 2 290.451 3.057 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334142203 206058517 /nfs/dbraw/zinc/05/85/17/206058517.db2.gz MLBFQKLLGQBXNR-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000334142203 206058522 /nfs/dbraw/zinc/05/85/22/206058522.db2.gz MLBFQKLLGQBXNR-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H]2CCc2ccccc2)c[nH+]1 ZINC000183164416 374380503 /nfs/dbraw/zinc/38/05/03/374380503.db2.gz CEUUZXMPWBGXST-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H]2CCc2ccccc2)c[nH+]1 ZINC000183164416 374380513 /nfs/dbraw/zinc/38/05/13/374380513.db2.gz CEUUZXMPWBGXST-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c[nH+]1 ZINC000183178969 374382926 /nfs/dbraw/zinc/38/29/26/374382926.db2.gz BANIENWARVDBFY-INIZCTEOSA-N 2 2 259.397 3.096 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@]3(CC=CCC3)C2)c[nH+]1 ZINC000183178969 374382931 /nfs/dbraw/zinc/38/29/31/374382931.db2.gz BANIENWARVDBFY-INIZCTEOSA-N 2 2 259.397 3.096 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000185185765 374603092 /nfs/dbraw/zinc/60/30/92/374603092.db2.gz QMSQLRDSFXCGFB-FZMZJTMJSA-N 2 2 280.362 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@H+]1C1CC1 ZINC000185185765 374603096 /nfs/dbraw/zinc/60/30/96/374603096.db2.gz QMSQLRDSFXCGFB-FZMZJTMJSA-N 2 2 280.362 3.339 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCCCC1 ZINC000185229561 374615274 /nfs/dbraw/zinc/61/52/74/374615274.db2.gz DQMCSKWUXYWPPY-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000185229561 374615275 /nfs/dbraw/zinc/61/52/75/374615275.db2.gz DQMCSKWUXYWPPY-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccccc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185682771 374714199 /nfs/dbraw/zinc/71/41/99/374714199.db2.gz OQHFWPHRIVXLAI-DNVCBOLYSA-N 2 2 298.430 3.476 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696590 374847154 /nfs/dbraw/zinc/84/71/54/374847154.db2.gz CZCNZPPSHHGDOF-ZBFHGGJFSA-N 2 2 250.430 3.197 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696590 374847160 /nfs/dbraw/zinc/84/71/60/374847160.db2.gz CZCNZPPSHHGDOF-ZBFHGGJFSA-N 2 2 250.430 3.197 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000289482987 197369846 /nfs/dbraw/zinc/36/98/46/197369846.db2.gz AZDCIYWWEHDNJC-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000335042045 375088202 /nfs/dbraw/zinc/08/82/02/375088202.db2.gz XFLVKVSZLVXTHI-KBPBESRZSA-N 2 2 299.443 3.139 20 0 CGADLP COCCC[N@H+](C)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188062545 375150551 /nfs/dbraw/zinc/15/05/51/375150551.db2.gz ACJURDQACPTIBV-AWEZNQCLSA-N 2 2 298.858 3.001 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188062545 375150558 /nfs/dbraw/zinc/15/05/58/375150558.db2.gz ACJURDQACPTIBV-AWEZNQCLSA-N 2 2 298.858 3.001 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000484491394 375188577 /nfs/dbraw/zinc/18/85/77/375188577.db2.gz LGIXVPSYWNOASP-RDJZCZTQSA-N 2 2 292.492 3.391 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000188279524 375190852 /nfs/dbraw/zinc/19/08/52/375190852.db2.gz IYOWYYRRVOTOBR-LALPHHSUSA-N 2 2 296.842 3.167 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000188279524 375190865 /nfs/dbraw/zinc/19/08/65/375190865.db2.gz IYOWYYRRVOTOBR-LALPHHSUSA-N 2 2 296.842 3.167 20 0 CGADLP C[C@H](C[NH2+]Cc1csc(-c2ccccc2)n1)C[NH+](C)C ZINC000491594950 375335951 /nfs/dbraw/zinc/33/59/51/375335951.db2.gz VRNOCVXIRXBLCI-CYBMUJFWSA-N 2 2 289.448 3.097 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699106 375356024 /nfs/dbraw/zinc/35/60/24/375356024.db2.gz AJKRPFPJWMFNIX-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699106 375356031 /nfs/dbraw/zinc/35/60/31/375356031.db2.gz AJKRPFPJWMFNIX-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699106 375356035 /nfs/dbraw/zinc/35/60/35/375356035.db2.gz AJKRPFPJWMFNIX-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)C1 ZINC000335699106 375356039 /nfs/dbraw/zinc/35/60/39/375356039.db2.gz AJKRPFPJWMFNIX-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189373232 375376799 /nfs/dbraw/zinc/37/67/99/375376799.db2.gz YNJZAORGQSZJNP-KBPBESRZSA-N 2 2 284.806 3.442 20 0 CGADLP Cc1nc(C[NH+]2CCC([NH3+])CC2)sc1-c1ccccc1 ZINC000335849211 375482165 /nfs/dbraw/zinc/48/21/65/375482165.db2.gz MFANVVFREBLKNE-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501877225 375641015 /nfs/dbraw/zinc/64/10/15/375641015.db2.gz RFMIIHUZLRMBAZ-MOPGFXCFSA-N 2 2 286.463 3.473 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000131169104 542068817 /nfs/dbraw/zinc/06/88/17/542068817.db2.gz MNLICSBGVQHIMA-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802568 375953221 /nfs/dbraw/zinc/95/32/21/375953221.db2.gz VCGIHSWMLADYMY-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802568 375953226 /nfs/dbraw/zinc/95/32/26/375953226.db2.gz VCGIHSWMLADYMY-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802568 375953234 /nfs/dbraw/zinc/95/32/34/375953234.db2.gz VCGIHSWMLADYMY-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802568 375953241 /nfs/dbraw/zinc/95/32/41/375953241.db2.gz VCGIHSWMLADYMY-SMDDNHRTSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H]2C)n1-c1ccccc1 ZINC000336811479 375963139 /nfs/dbraw/zinc/96/31/39/375963139.db2.gz NEPBFAMKVUIHKB-WBMJQRKESA-N 2 2 255.365 3.069 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000346038527 217785910 /nfs/dbraw/zinc/78/59/10/217785910.db2.gz KMZJPGCYWGLQKV-LBPRGKRZSA-N 2 2 284.856 3.245 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000346038527 217785913 /nfs/dbraw/zinc/78/59/13/217785913.db2.gz KMZJPGCYWGLQKV-LBPRGKRZSA-N 2 2 284.856 3.245 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC000194420768 376003171 /nfs/dbraw/zinc/00/31/71/376003171.db2.gz UXSOHLKOUGKNCU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC000194420768 376003175 /nfs/dbraw/zinc/00/31/75/376003175.db2.gz UXSOHLKOUGKNCU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000194420768 376003182 /nfs/dbraw/zinc/00/31/82/376003182.db2.gz UXSOHLKOUGKNCU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000194420768 376003187 /nfs/dbraw/zinc/00/31/87/376003187.db2.gz UXSOHLKOUGKNCU-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C=Cn1cc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000194311241 375982797 /nfs/dbraw/zinc/98/27/97/375982797.db2.gz NQAJSSIPMQXLQS-OAHLLOKOSA-N 2 2 298.434 3.203 20 0 CGADLP C[C@@H]1C[C@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000337270728 376182193 /nfs/dbraw/zinc/18/21/93/376182193.db2.gz ZYCXMWVHAICWSB-QMTHXVAHSA-N 2 2 261.756 3.088 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000221791097 376221949 /nfs/dbraw/zinc/22/19/49/376221949.db2.gz OGVLQNQGCQYBLB-ZFWWWQNUSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000221791097 376221956 /nfs/dbraw/zinc/22/19/56/376221956.db2.gz OGVLQNQGCQYBLB-ZFWWWQNUSA-N 2 2 264.413 3.223 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000221908106 376222564 /nfs/dbraw/zinc/22/25/64/376222564.db2.gz PWIQQVYRPIBZKV-CYBMUJFWSA-N 2 2 252.377 3.207 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000221908106 376222573 /nfs/dbraw/zinc/22/25/73/376222573.db2.gz PWIQQVYRPIBZKV-CYBMUJFWSA-N 2 2 252.377 3.207 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338316471 376329816 /nfs/dbraw/zinc/32/98/16/376329816.db2.gz NFNYPVKRGASPHF-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338316471 376329825 /nfs/dbraw/zinc/32/98/25/376329825.db2.gz NFNYPVKRGASPHF-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338316471 376329830 /nfs/dbraw/zinc/32/98/30/376329830.db2.gz NFNYPVKRGASPHF-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338316471 376329837 /nfs/dbraw/zinc/32/98/37/376329837.db2.gz NFNYPVKRGASPHF-KFWWJZLASA-N 2 2 286.410 3.371 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000224606370 376284866 /nfs/dbraw/zinc/28/48/66/376284866.db2.gz MDDHABDEOLYOSC-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000224606370 376284871 /nfs/dbraw/zinc/28/48/71/376284871.db2.gz MDDHABDEOLYOSC-DOTOQJQBSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000539124767 376296383 /nfs/dbraw/zinc/29/63/83/376296383.db2.gz RZLDIZAENGXBST-NQBHXWOUSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000539124767 376296391 /nfs/dbraw/zinc/29/63/91/376296391.db2.gz RZLDIZAENGXBST-NQBHXWOUSA-N 2 2 268.351 3.098 20 0 CGADLP [NH3+][C@H]1CCC[C@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000227676523 376405071 /nfs/dbraw/zinc/40/50/71/376405071.db2.gz VXZUJDGTVVFACK-JSGCOSHPSA-N 2 2 255.365 3.164 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000226413469 376358194 /nfs/dbraw/zinc/35/81/94/376358194.db2.gz YFBLWCBLHXRZFI-DZGCQCFKSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000226413469 376358197 /nfs/dbraw/zinc/35/81/97/376358197.db2.gz YFBLWCBLHXRZFI-DZGCQCFKSA-N 2 2 254.377 3.195 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(CC)CC ZINC000540595907 376384065 /nfs/dbraw/zinc/38/40/65/376384065.db2.gz GOFCEQRZRIRTJU-JKSUJKDBSA-N 2 2 293.455 3.237 20 0 CGADLP CC[C@@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+]1CCCC1 ZINC000338689975 376481906 /nfs/dbraw/zinc/48/19/06/376481906.db2.gz DFGDTVQVLSMFRC-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517588 376552076 /nfs/dbraw/zinc/55/20/76/376552076.db2.gz GGSAKABPHHTZNM-FUHWJXTLSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000542517588 376552085 /nfs/dbraw/zinc/55/20/85/376552085.db2.gz GGSAKABPHHTZNM-FUHWJXTLSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1cccc(NCCNc2cc(C(F)(F)F)cc[nH+]2)[nH+]1 ZINC000339056929 376650981 /nfs/dbraw/zinc/65/09/81/376650981.db2.gz ZKQNZICQXZUAEB-UHFFFAOYSA-N 2 2 296.296 3.328 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000544381502 376727374 /nfs/dbraw/zinc/72/73/74/376727374.db2.gz WTPUVDJFBBJDHN-DGXTUMSLSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000544381502 376727386 /nfs/dbraw/zinc/72/73/86/376727386.db2.gz WTPUVDJFBBJDHN-DGXTUMSLSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000237446864 376743650 /nfs/dbraw/zinc/74/36/50/376743650.db2.gz HCWRGUGSJPNAQL-CQSZACIVSA-N 2 2 272.392 3.376 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000545161146 376791168 /nfs/dbraw/zinc/79/11/68/376791168.db2.gz LYFRWSWBRZNFSL-IAGOWNOFSA-N 2 2 262.441 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000545161146 376791173 /nfs/dbraw/zinc/79/11/73/376791173.db2.gz LYFRWSWBRZNFSL-IAGOWNOFSA-N 2 2 262.441 3.197 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000157694003 542137375 /nfs/dbraw/zinc/13/73/75/542137375.db2.gz OOTLHYJHEFIXAM-ZIAGYGMSSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000157694003 542137381 /nfs/dbraw/zinc/13/73/81/542137381.db2.gz OOTLHYJHEFIXAM-ZIAGYGMSSA-N 2 2 264.438 3.273 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157809124 542138596 /nfs/dbraw/zinc/13/85/96/542138596.db2.gz MGDDOOZRBVQRKE-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157809124 542138599 /nfs/dbraw/zinc/13/85/99/542138599.db2.gz MGDDOOZRBVQRKE-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340175903 376935037 /nfs/dbraw/zinc/93/50/37/376935037.db2.gz JOCBEYRNNDWWQD-KGLIPLIRSA-N 2 2 269.392 3.500 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505499 377015092 /nfs/dbraw/zinc/01/50/92/377015092.db2.gz JBGJXHDKFMTJLQ-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505499 377015103 /nfs/dbraw/zinc/01/51/03/377015103.db2.gz JBGJXHDKFMTJLQ-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505555 377015386 /nfs/dbraw/zinc/01/53/86/377015386.db2.gz JBGJXHDKFMTJLQ-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000558505555 377015403 /nfs/dbraw/zinc/01/54/03/377015403.db2.gz JBGJXHDKFMTJLQ-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000558228157 376986586 /nfs/dbraw/zinc/98/65/86/376986586.db2.gz PMJXLYXHMLRDFC-DJIMGWMZSA-N 2 2 260.425 3.376 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000558254577 376987627 /nfs/dbraw/zinc/98/76/27/376987627.db2.gz JLSSVKLHAQOADZ-HDMKZQKVSA-N 2 2 290.451 3.117 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000558254577 376987639 /nfs/dbraw/zinc/98/76/39/376987639.db2.gz JLSSVKLHAQOADZ-HDMKZQKVSA-N 2 2 290.451 3.117 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518923 377115966 /nfs/dbraw/zinc/11/59/66/377115966.db2.gz JZVKYAUEJGQDHP-HLLBOEOZSA-N 2 2 290.451 3.053 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518923 377115970 /nfs/dbraw/zinc/11/59/70/377115970.db2.gz JZVKYAUEJGQDHP-HLLBOEOZSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000558919870 377054648 /nfs/dbraw/zinc/05/46/48/377054648.db2.gz XSMGZBOEMHQTSC-ZWKOTPCHSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000558919870 377054654 /nfs/dbraw/zinc/05/46/54/377054654.db2.gz XSMGZBOEMHQTSC-ZWKOTPCHSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)no1 ZINC000340476878 377088886 /nfs/dbraw/zinc/08/88/86/377088886.db2.gz IRKLEBSGVDCOHY-OCCSQVGLSA-N 2 2 267.417 3.000 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccnc1 ZINC000560267942 377136539 /nfs/dbraw/zinc/13/65/39/377136539.db2.gz ORWFYNNGNULIRN-QGZVFWFLSA-N 2 2 284.407 3.101 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000247012001 377139074 /nfs/dbraw/zinc/13/90/74/377139074.db2.gz MHHOFLMZLRKGTM-GJZGRUSLSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000247012001 377139080 /nfs/dbraw/zinc/13/90/80/377139080.db2.gz MHHOFLMZLRKGTM-GJZGRUSLSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000247981462 377251857 /nfs/dbraw/zinc/25/18/57/377251857.db2.gz MTFMGSAEVHOOFY-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000247981462 377251861 /nfs/dbraw/zinc/25/18/61/377251861.db2.gz MTFMGSAEVHOOFY-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000561982527 377261414 /nfs/dbraw/zinc/26/14/14/377261414.db2.gz OEGRYHZAYZAYIJ-QGZVFWFLSA-N 2 2 298.434 3.500 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000561982527 377261416 /nfs/dbraw/zinc/26/14/16/377261416.db2.gz OEGRYHZAYZAYIJ-QGZVFWFLSA-N 2 2 298.434 3.500 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000248368795 377296406 /nfs/dbraw/zinc/29/64/06/377296406.db2.gz VORFRQJNGXZEKL-KGLIPLIRSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000248368795 377296413 /nfs/dbraw/zinc/29/64/13/377296413.db2.gz VORFRQJNGXZEKL-KGLIPLIRSA-N 2 2 255.365 3.103 20 0 CGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000562738529 377356308 /nfs/dbraw/zinc/35/63/08/377356308.db2.gz ZGAAHEUYZBMSBG-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000562756907 377357427 /nfs/dbraw/zinc/35/74/27/377357427.db2.gz KXVAMGXMBODLML-XOKHGSTOSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000562756907 377357437 /nfs/dbraw/zinc/35/74/37/377357437.db2.gz KXVAMGXMBODLML-XOKHGSTOSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249275108 377485096 /nfs/dbraw/zinc/48/50/96/377485096.db2.gz LPYSAGLVLUJBNE-RDBSUJKOSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249275108 377485101 /nfs/dbraw/zinc/48/51/01/377485101.db2.gz LPYSAGLVLUJBNE-RDBSUJKOSA-N 2 2 292.389 3.429 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000093368244 249037418 /nfs/dbraw/zinc/03/74/18/249037418.db2.gz HBOQHOFXKVMBBH-CYBMUJFWSA-N 2 2 295.496 3.404 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000163638988 542167462 /nfs/dbraw/zinc/16/74/62/542167462.db2.gz RPFDQVBQRQKMTG-CYBMUJFWSA-N 2 2 296.480 3.126 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166543401 542174789 /nfs/dbraw/zinc/17/47/89/542174789.db2.gz BPXWXZSSHLZSSI-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166543401 542174796 /nfs/dbraw/zinc/17/47/96/542174796.db2.gz BPXWXZSSHLZSSI-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)c1ccccc1 ZINC000314370690 249095376 /nfs/dbraw/zinc/09/53/76/249095376.db2.gz MITXOBDGKZHEKA-RDJZCZTQSA-N 2 2 292.467 3.473 20 0 CGADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000428129842 249132249 /nfs/dbraw/zinc/13/22/49/249132249.db2.gz ICNCKZWQHWIBMU-UHFFFAOYSA-N 2 2 272.739 3.248 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449016 377569082 /nfs/dbraw/zinc/56/90/82/377569082.db2.gz ANQYCKVZUGSUFY-MMIPBJDJSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449016 377569089 /nfs/dbraw/zinc/56/90/89/377569089.db2.gz ANQYCKVZUGSUFY-MMIPBJDJSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)n1C ZINC000516664314 249240448 /nfs/dbraw/zinc/24/04/48/249240448.db2.gz MRXZFEFURBKAGY-SJCJKPOMSA-N 2 2 269.392 3.142 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000251604718 377591251 /nfs/dbraw/zinc/59/12/51/377591251.db2.gz CULSWCOLFDLBLO-BFYDXBDKSA-N 2 2 287.451 3.465 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000251515235 377586899 /nfs/dbraw/zinc/58/68/99/377586899.db2.gz JKPAZFATUFFCTK-IHRRRGAJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000251515235 377586904 /nfs/dbraw/zinc/58/69/04/377586904.db2.gz JKPAZFATUFFCTK-IHRRRGAJSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000179993938 542204718 /nfs/dbraw/zinc/20/47/18/542204718.db2.gz RKDKVZWRFKBBAG-LBPRGKRZSA-N 2 2 297.406 3.117 20 0 CGADLP CC[N@@H+]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342194729 377633803 /nfs/dbraw/zinc/63/38/03/377633803.db2.gz AWTQISRIHWZXHT-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP CC[N@H+]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342194729 377633813 /nfs/dbraw/zinc/63/38/13/377633813.db2.gz AWTQISRIHWZXHT-UHFFFAOYSA-N 2 2 289.810 3.420 20 0 CGADLP CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000574294246 377645106 /nfs/dbraw/zinc/64/51/06/377645106.db2.gz PVEMRGXWJRYDFC-RBUKOAKNSA-N 2 2 280.415 3.264 20 0 CGADLP CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000574294246 377645111 /nfs/dbraw/zinc/64/51/11/377645111.db2.gz PVEMRGXWJRYDFC-RBUKOAKNSA-N 2 2 280.415 3.264 20 0 CGADLP CC(C)c1[nH+]c(C[NH+]2CCC3(CCO3)CC2)c2ccccn21 ZINC000574331316 377647795 /nfs/dbraw/zinc/64/77/95/377647795.db2.gz PXLCIPNKRVMZFA-UHFFFAOYSA-N 2 2 299.418 3.213 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000574630421 377687865 /nfs/dbraw/zinc/68/78/65/377687865.db2.gz ZGTBOVWIRJNWFK-QGZVFWFLSA-N 2 2 272.392 3.347 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000574767726 377707607 /nfs/dbraw/zinc/70/76/07/377707607.db2.gz GNBDAXILHUQQDY-UHFFFAOYSA-N 2 2 289.448 3.251 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2sccc2CC1(C)C ZINC000574767726 377707616 /nfs/dbraw/zinc/70/76/16/377707616.db2.gz GNBDAXILHUQQDY-UHFFFAOYSA-N 2 2 289.448 3.251 20 0 CGADLP CC(C)COc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000342704836 377744600 /nfs/dbraw/zinc/74/46/00/377744600.db2.gz NDZZUSCZVMSOHK-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000342706670 377746618 /nfs/dbraw/zinc/74/66/18/377746618.db2.gz IYPMTVJAMZEUOF-JLSDUUJJSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000342706670 377746623 /nfs/dbraw/zinc/74/66/23/377746623.db2.gz IYPMTVJAMZEUOF-JLSDUUJJSA-N 2 2 290.451 3.117 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000261545956 377816483 /nfs/dbraw/zinc/81/64/83/377816483.db2.gz GLXJGWNGYLBATC-CYBMUJFWSA-N 2 2 275.223 3.456 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000261995839 377877290 /nfs/dbraw/zinc/87/72/90/377877290.db2.gz KTDUXSLMKZVJED-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261995839 377877295 /nfs/dbraw/zinc/87/72/95/377877295.db2.gz KTDUXSLMKZVJED-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000261995841 377878534 /nfs/dbraw/zinc/87/85/34/377878534.db2.gz KTDUXSLMKZVJED-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261995841 377878538 /nfs/dbraw/zinc/87/85/38/377878538.db2.gz KTDUXSLMKZVJED-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000262141884 377889001 /nfs/dbraw/zinc/88/90/01/377889001.db2.gz MNJYQFPXESGPJF-BFYDXBDKSA-N 2 2 298.430 3.257 20 0 CGADLP CCc1nc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000262223781 377891813 /nfs/dbraw/zinc/89/18/13/377891813.db2.gz MZGKQISTLHAQGD-QWHCGFSZSA-N 2 2 281.469 3.106 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000343247843 377938892 /nfs/dbraw/zinc/93/88/92/377938892.db2.gz BDKVTATVELPDOB-LESCRADOSA-N 2 2 272.436 3.036 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000343247843 377938896 /nfs/dbraw/zinc/93/88/96/377938896.db2.gz BDKVTATVELPDOB-LESCRADOSA-N 2 2 272.436 3.036 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000343093236 377900940 /nfs/dbraw/zinc/90/09/40/377900940.db2.gz GWUYVQRYKIYANQ-HNNXBMFYSA-N 2 2 264.800 3.013 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575812066 377991941 /nfs/dbraw/zinc/99/19/41/377991941.db2.gz HSXMZJITWQCEQM-IRXDYDNUSA-N 2 2 292.467 3.060 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000575812066 377991949 /nfs/dbraw/zinc/99/19/49/377991949.db2.gz HSXMZJITWQCEQM-IRXDYDNUSA-N 2 2 292.467 3.060 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000343665132 378058806 /nfs/dbraw/zinc/05/88/06/378058806.db2.gz JEMRZXDFSPYMKB-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000268466375 378063078 /nfs/dbraw/zinc/06/30/78/378063078.db2.gz GMAVLVZXUJYPGO-UHFFFAOYSA-N 2 2 295.386 3.377 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000343574750 378025077 /nfs/dbraw/zinc/02/50/77/378025077.db2.gz OZVJHUDBQYLIPO-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)COC2 ZINC000268895065 378146051 /nfs/dbraw/zinc/14/60/51/378146051.db2.gz ARRHOTRVBLWDDN-AWEZNQCLSA-N 2 2 297.402 3.265 20 0 CGADLP C[C@H](C[NH2+]Cc1cc2cc(F)ccc2o1)Cn1cc[nH+]c1 ZINC000343796612 378095011 /nfs/dbraw/zinc/09/50/11/378095011.db2.gz SXWKUOZEAAIINS-GFCCVEGCSA-N 2 2 287.338 3.194 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)n1C ZINC000578787639 378100792 /nfs/dbraw/zinc/10/07/92/378100792.db2.gz VWFGCUFMKPDQHS-JTQLQIEISA-N 2 2 287.338 3.465 20 0 CGADLP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000345154031 378207066 /nfs/dbraw/zinc/20/70/66/378207066.db2.gz CNGKXTFQQXFZRQ-ABAIWWIYSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000344083175 378159588 /nfs/dbraw/zinc/15/95/88/378159588.db2.gz ZYVNLFSFXATBEV-ZHCJQAHYSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000344083175 378159589 /nfs/dbraw/zinc/15/95/89/378159589.db2.gz ZYVNLFSFXATBEV-ZHCJQAHYSA-N 2 2 294.483 3.043 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000580843760 378264272 /nfs/dbraw/zinc/26/42/72/378264272.db2.gz IQXFNLHKVHHKSM-UHFFFAOYSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269696591 378256086 /nfs/dbraw/zinc/25/60/86/378256086.db2.gz XKDUOYLXFXBYPK-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000269696591 378256090 /nfs/dbraw/zinc/25/60/90/378256090.db2.gz XKDUOYLXFXBYPK-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269696591 378256094 /nfs/dbraw/zinc/25/60/94/378256094.db2.gz XKDUOYLXFXBYPK-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269696591 378256096 /nfs/dbraw/zinc/25/60/96/378256096.db2.gz XKDUOYLXFXBYPK-QGPMSJSTSA-N 2 2 285.435 3.091 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000583455885 378324556 /nfs/dbraw/zinc/32/45/56/378324556.db2.gz AXCHSRYILUCWTQ-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000583455885 378324563 /nfs/dbraw/zinc/32/45/63/378324563.db2.gz AXCHSRYILUCWTQ-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)Cc1c(Cl)cccc1Cl ZINC000270885210 378410405 /nfs/dbraw/zinc/41/04/05/378410405.db2.gz WOVZQGMOCAXREA-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1c(Cl)cccc1Cl ZINC000270885210 378410409 /nfs/dbraw/zinc/41/04/09/378410409.db2.gz WOVZQGMOCAXREA-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)o2)cc1 ZINC000584420560 378383425 /nfs/dbraw/zinc/38/34/25/378383425.db2.gz MHUVPGHZIWGXFH-UHFFFAOYSA-N 2 2 288.366 3.271 20 0 CGADLP C[C@H](Cc1ccsc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000584496904 378389453 /nfs/dbraw/zinc/38/94/53/378389453.db2.gz AANXQRQMCFUQBK-CYBMUJFWSA-N 2 2 298.415 3.431 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346032801 378444233 /nfs/dbraw/zinc/44/42/33/378444233.db2.gz CHWZTDQYNIPOCP-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346032801 378444239 /nfs/dbraw/zinc/44/42/39/378444239.db2.gz CHWZTDQYNIPOCP-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346331744 378547004 /nfs/dbraw/zinc/54/70/04/378547004.db2.gz OHMNGBBYDQKMKW-LZWOXQAQSA-N 2 2 292.492 3.412 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346331744 378547007 /nfs/dbraw/zinc/54/70/07/378547007.db2.gz OHMNGBBYDQKMKW-LZWOXQAQSA-N 2 2 292.492 3.412 20 0 CGADLP COC(C)(C)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346590305 378635836 /nfs/dbraw/zinc/63/58/36/378635836.db2.gz YBWLCIZMHLLSBT-UHFFFAOYSA-N 2 2 293.455 3.190 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000346477501 378590262 /nfs/dbraw/zinc/59/02/62/378590262.db2.gz HUOFIFJOJNMSBF-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346640053 378657293 /nfs/dbraw/zinc/65/72/93/378657293.db2.gz ACWJLSNQSPZAQX-GFCCVEGCSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346640053 378657299 /nfs/dbraw/zinc/65/72/99/378657299.db2.gz ACWJLSNQSPZAQX-GFCCVEGCSA-N 2 2 269.458 3.072 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346660664 378666185 /nfs/dbraw/zinc/66/61/85/378666185.db2.gz SIAQSZCXAKNGEZ-RDTXWAMCSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346660664 378666189 /nfs/dbraw/zinc/66/61/89/378666189.db2.gz SIAQSZCXAKNGEZ-RDTXWAMCSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc4[nH]c[nH+]c4c3)n2c1 ZINC000346687014 378674415 /nfs/dbraw/zinc/67/44/15/378674415.db2.gz SRXZFQIHMOWPGT-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954580 378644431 /nfs/dbraw/zinc/64/44/31/378644431.db2.gz XSYRIHRCGZPRFJ-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954580 378644435 /nfs/dbraw/zinc/64/44/35/378644435.db2.gz XSYRIHRCGZPRFJ-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000347971163 378743348 /nfs/dbraw/zinc/74/33/48/378743348.db2.gz XDPGPUIJISSDAD-KKUMJFAQSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000347971163 378743356 /nfs/dbraw/zinc/74/33/56/378743356.db2.gz XDPGPUIJISSDAD-KKUMJFAQSA-N 2 2 291.439 3.287 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000638287222 378756044 /nfs/dbraw/zinc/75/60/44/378756044.db2.gz SDTROEWZASEBCH-BPUTZDHNSA-N 2 2 294.389 3.457 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000348100961 378791754 /nfs/dbraw/zinc/79/17/54/378791754.db2.gz GYLDCQHDYLXEKG-ZBFHGGJFSA-N 2 2 255.365 3.151 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348101325 378792111 /nfs/dbraw/zinc/79/21/11/378792111.db2.gz JWFHHKJJYANZRG-DZGCQCFKSA-N 2 2 273.355 3.290 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346798595 218017695 /nfs/dbraw/zinc/01/76/95/218017695.db2.gz PRVAUUHHNKRBIQ-OAUYIBNBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CCC[N@H+]1C ZINC000346798595 218017697 /nfs/dbraw/zinc/01/76/97/218017697.db2.gz PRVAUUHHNKRBIQ-OAUYIBNBSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCCS1 ZINC000348234246 378852525 /nfs/dbraw/zinc/85/25/25/378852525.db2.gz WWPXJCVJANVJPF-OAHLLOKOSA-N 2 2 264.438 3.198 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348257931 378868614 /nfs/dbraw/zinc/86/86/14/378868614.db2.gz UBIHWZVMAKMIGW-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348257931 378868616 /nfs/dbraw/zinc/86/86/16/378868616.db2.gz UBIHWZVMAKMIGW-RDJZCZTQSA-N 2 2 299.418 3.283 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000348276262 378880741 /nfs/dbraw/zinc/88/07/41/378880741.db2.gz DPJBZLZPWLCMKD-CXAGYDPISA-N 2 2 276.399 3.301 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000348264534 378873614 /nfs/dbraw/zinc/87/36/14/378873614.db2.gz YGCBDHYOFDKNFD-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP Cc1ccc2[nH+]c(CNc3cc[nH+]c4ccccc34)cn2c1 ZINC000346948093 218065627 /nfs/dbraw/zinc/06/56/27/218065627.db2.gz WWXOVJFLIPXXMN-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)cn1 ZINC000274875870 378911660 /nfs/dbraw/zinc/91/16/60/378911660.db2.gz GMRICPNPRKEYPI-ZDUSSCGKSA-N 2 2 281.831 3.262 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OC(F)F)cc1C ZINC000346992079 218083921 /nfs/dbraw/zinc/08/39/21/218083921.db2.gz ABGLORCLQMLZOO-OCCSQVGLSA-N 2 2 298.377 3.074 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(OC(F)F)cc1C ZINC000346992079 218083924 /nfs/dbraw/zinc/08/39/24/218083924.db2.gz ABGLORCLQMLZOO-OCCSQVGLSA-N 2 2 298.377 3.074 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348418717 378949001 /nfs/dbraw/zinc/94/90/01/378949001.db2.gz JJLFTDYOGJZXJR-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348418717 378949004 /nfs/dbraw/zinc/94/90/04/378949004.db2.gz JJLFTDYOGJZXJR-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347083592 218114943 /nfs/dbraw/zinc/11/49/43/218114943.db2.gz ZNFKDPFBIHTBRR-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347083592 218114944 /nfs/dbraw/zinc/11/49/44/218114944.db2.gz ZNFKDPFBIHTBRR-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[NH+](C)CC1(C[NH2+]Cc2nc3ccccc3o2)CCCC1 ZINC000639048150 378982772 /nfs/dbraw/zinc/98/27/72/378982772.db2.gz XRGHECSIJUNYAZ-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCC1 ZINC000366790385 284733167 /nfs/dbraw/zinc/73/31/67/284733167.db2.gz AHLNOYFIHPWQSD-UKRRQHHQSA-N 2 2 291.439 3.006 20 0 CGADLP c1cc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000347126311 218131880 /nfs/dbraw/zinc/13/18/80/218131880.db2.gz SHBPJUUGYWFYCX-INIZCTEOSA-N 2 2 288.416 3.229 20 0 CGADLP c1cc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000347126311 218131883 /nfs/dbraw/zinc/13/18/83/218131883.db2.gz SHBPJUUGYWFYCX-INIZCTEOSA-N 2 2 288.416 3.229 20 0 CGADLP CCC(=O)CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000276857612 379009013 /nfs/dbraw/zinc/00/90/13/379009013.db2.gz JXKPYQCFJTYYOE-HNNXBMFYSA-N 2 2 299.418 3.178 20 0 CGADLP CCC(=O)CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000276857612 379009021 /nfs/dbraw/zinc/00/90/21/379009021.db2.gz JXKPYQCFJTYYOE-HNNXBMFYSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(C(F)(F)F)CC2)c[nH+]1 ZINC000348867853 379089800 /nfs/dbraw/zinc/08/98/00/379089800.db2.gz JDYKJTGLSDJNBD-UHFFFAOYSA-N 2 2 272.314 3.255 20 0 CGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccncc1 ZINC000348905990 379106002 /nfs/dbraw/zinc/10/60/02/379106002.db2.gz SGKFODJPOJOHRL-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccncc1 ZINC000348905990 379106011 /nfs/dbraw/zinc/10/60/11/379106011.db2.gz SGKFODJPOJOHRL-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135290 379166224 /nfs/dbraw/zinc/16/62/24/379166224.db2.gz YHADLFRIFCLNRZ-FUHWJXTLSA-N 2 2 297.446 3.478 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135290 379166230 /nfs/dbraw/zinc/16/62/30/379166230.db2.gz YHADLFRIFCLNRZ-FUHWJXTLSA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349135797 379166254 /nfs/dbraw/zinc/16/62/54/379166254.db2.gz YUDQAAPEBQNXQE-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000349135797 379166260 /nfs/dbraw/zinc/16/62/60/379166260.db2.gz YUDQAAPEBQNXQE-BZUAXINKSA-N 2 2 275.440 3.426 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000639255587 379199450 /nfs/dbraw/zinc/19/94/50/379199450.db2.gz IOTRDDDYCJRWCG-HUUCEWRRSA-N 2 2 261.413 3.077 20 0 CGADLP CC[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373520971 379292679 /nfs/dbraw/zinc/29/26/79/379292679.db2.gz NEPFMFYDZIUCPN-PKSQDBQZSA-N 2 2 278.362 3.180 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000349641992 379325824 /nfs/dbraw/zinc/32/58/24/379325824.db2.gz AKTGRPYVXIGQFO-CXAGYDPISA-N 2 2 290.476 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000349641992 379325831 /nfs/dbraw/zinc/32/58/31/379325831.db2.gz AKTGRPYVXIGQFO-CXAGYDPISA-N 2 2 290.476 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000349641994 379326563 /nfs/dbraw/zinc/32/65/63/379326563.db2.gz AKTGRPYVXIGQFO-GUYCJALGSA-N 2 2 290.476 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000349641994 379326567 /nfs/dbraw/zinc/32/65/67/379326567.db2.gz AKTGRPYVXIGQFO-GUYCJALGSA-N 2 2 290.476 3.371 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000639379049 379338282 /nfs/dbraw/zinc/33/82/82/379338282.db2.gz MDIRDDGHLZFKJY-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](C)[NH+](C)C ZINC000349814333 379397388 /nfs/dbraw/zinc/39/73/88/379397388.db2.gz TWBKFFFHLDZQOE-HOCLYGCPSA-N 2 2 260.425 3.221 20 0 CGADLP Cc1cc(C)c(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c(C)[nH+]1 ZINC000639495209 379433180 /nfs/dbraw/zinc/43/31/80/379433180.db2.gz OZDGDVAIYNOAKY-MRXNPFEDSA-N 2 2 298.430 3.390 20 0 CGADLP Cc1cc(C)c(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c(C)[nH+]1 ZINC000639495209 379433189 /nfs/dbraw/zinc/43/31/89/379433189.db2.gz OZDGDVAIYNOAKY-MRXNPFEDSA-N 2 2 298.430 3.390 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000347622145 218295978 /nfs/dbraw/zinc/29/59/78/218295978.db2.gz VSIDCTGLWMYHOO-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000347622145 218295980 /nfs/dbraw/zinc/29/59/80/218295980.db2.gz VSIDCTGLWMYHOO-GJZGRUSLSA-N 2 2 263.429 3.420 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c(C)[nH+]1 ZINC000639575330 379485472 /nfs/dbraw/zinc/48/54/72/379485472.db2.gz HKGCBJORFGEWLV-ZDUSSCGKSA-N 2 2 284.350 3.210 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c(C)[nH+]1 ZINC000639575330 379485485 /nfs/dbraw/zinc/48/54/85/379485485.db2.gz HKGCBJORFGEWLV-ZDUSSCGKSA-N 2 2 284.350 3.210 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375265801 379490480 /nfs/dbraw/zinc/49/04/80/379490480.db2.gz CMJPEDXTSASODD-UKRRQHHQSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639648302 379526262 /nfs/dbraw/zinc/52/62/62/379526262.db2.gz MWPGCNONUGYNRY-IRXDYDNUSA-N 2 2 288.435 3.396 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639648302 379526265 /nfs/dbraw/zinc/52/62/65/379526265.db2.gz MWPGCNONUGYNRY-IRXDYDNUSA-N 2 2 288.435 3.396 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c(C)[nH+]1 ZINC000639656483 379530387 /nfs/dbraw/zinc/53/03/87/379530387.db2.gz RRNCUEYYOVLYCU-GOSISDBHSA-N 2 2 298.430 3.042 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c(C)[nH+]1 ZINC000639656483 379530398 /nfs/dbraw/zinc/53/03/98/379530398.db2.gz RRNCUEYYOVLYCU-GOSISDBHSA-N 2 2 298.430 3.042 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000279847219 379533349 /nfs/dbraw/zinc/53/33/49/379533349.db2.gz IBJUUUGKSWLKNA-IBGZPJMESA-N 2 2 295.430 3.317 20 0 CGADLP CCC(F)(F)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000639615848 379507024 /nfs/dbraw/zinc/50/70/24/379507024.db2.gz QQKKQQNFDQKJRS-UHFFFAOYSA-N 2 2 284.350 3.279 20 0 CGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000376768338 379599812 /nfs/dbraw/zinc/59/98/12/379599812.db2.gz MTMCSVBNJURALG-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376769155 379601381 /nfs/dbraw/zinc/60/13/81/379601381.db2.gz PWKZNVRGIVLMGS-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP C[C@@H](c1ccccn1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000267078120 190301495 /nfs/dbraw/zinc/30/14/95/190301495.db2.gz QCXQJDVZOGSIJN-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377409967 379676142 /nfs/dbraw/zinc/67/61/42/379676142.db2.gz JAWPUKXAEYWISB-HOCLYGCPSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377409967 379676148 /nfs/dbraw/zinc/67/61/48/379676148.db2.gz JAWPUKXAEYWISB-HOCLYGCPSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000640101108 379720166 /nfs/dbraw/zinc/72/01/66/379720166.db2.gz RLPRTLLJSOTQSH-JQHSSLGASA-N 2 2 288.435 3.132 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000640101108 379720173 /nfs/dbraw/zinc/72/01/73/379720173.db2.gz RLPRTLLJSOTQSH-JQHSSLGASA-N 2 2 288.435 3.132 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000377726972 379730023 /nfs/dbraw/zinc/73/00/23/379730023.db2.gz QFUPLCUSOQXCJM-RHSMWYFYSA-N 2 2 296.418 3.349 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377759518 379734134 /nfs/dbraw/zinc/73/41/34/379734134.db2.gz ZHGSTLDZTQRIEN-UONOGXRCSA-N 2 2 299.418 3.243 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377759518 379734141 /nfs/dbraw/zinc/73/41/41/379734141.db2.gz ZHGSTLDZTQRIEN-UONOGXRCSA-N 2 2 299.418 3.243 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000377827142 379748164 /nfs/dbraw/zinc/74/81/64/379748164.db2.gz UADWCYQQNXIDBO-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000377827142 379748168 /nfs/dbraw/zinc/74/81/68/379748168.db2.gz UADWCYQQNXIDBO-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280439066 379705841 /nfs/dbraw/zinc/70/58/41/379705841.db2.gz CLXFLAHXRKOZNM-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280439066 379705850 /nfs/dbraw/zinc/70/58/50/379705850.db2.gz CLXFLAHXRKOZNM-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1cccc(C)c1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267441348 190330630 /nfs/dbraw/zinc/33/06/30/190330630.db2.gz CDEKAJAHXGCFSS-UHFFFAOYSA-N 2 2 299.418 3.285 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000378490347 379832149 /nfs/dbraw/zinc/83/21/49/379832149.db2.gz DVULXEQXWHDVEZ-OAHLLOKOSA-N 2 2 287.382 3.292 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000378490347 379832154 /nfs/dbraw/zinc/83/21/54/379832154.db2.gz DVULXEQXWHDVEZ-OAHLLOKOSA-N 2 2 287.382 3.292 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000391202946 379908347 /nfs/dbraw/zinc/90/83/47/379908347.db2.gz SAKONVGTGKLHNT-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000391202946 379908354 /nfs/dbraw/zinc/90/83/54/379908354.db2.gz SAKONVGTGKLHNT-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3occc3c2)CCC[N@@H+]1C ZINC000352730871 379928150 /nfs/dbraw/zinc/92/81/50/379928150.db2.gz HFRZRWOJMBYSJA-SWLSCSKDSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3occc3c2)CCC[N@H+]1C ZINC000352730871 379928155 /nfs/dbraw/zinc/92/81/55/379928155.db2.gz HFRZRWOJMBYSJA-SWLSCSKDSA-N 2 2 258.365 3.005 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000391202951 379908252 /nfs/dbraw/zinc/90/82/52/379908252.db2.gz SAKONVGTGKLHNT-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000391202951 379908259 /nfs/dbraw/zinc/90/82/59/379908259.db2.gz SAKONVGTGKLHNT-VQIMIIECSA-N 2 2 295.430 3.143 20 0 CGADLP COCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000282488306 379930749 /nfs/dbraw/zinc/93/07/49/379930749.db2.gz HMWZLPSTVRVFCP-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000282488523 379930983 /nfs/dbraw/zinc/93/09/83/379930983.db2.gz HOLPRLUMQZJJOV-UHFFFAOYSA-N 2 2 281.831 3.006 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000398976034 379933480 /nfs/dbraw/zinc/93/34/80/379933480.db2.gz BMYPHHFZDGSKAF-GYSYKLTISA-N 2 2 297.240 3.240 20 0 CGADLP Cc1ccncc1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405988414 379986404 /nfs/dbraw/zinc/98/64/04/379986404.db2.gz HQUMNMLWUZDROZ-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccncc1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405988414 379986409 /nfs/dbraw/zinc/98/64/09/379986409.db2.gz HQUMNMLWUZDROZ-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282826710 379998468 /nfs/dbraw/zinc/99/84/68/379998468.db2.gz UYSVGBJZUXZSIK-ZBFHGGJFSA-N 2 2 289.398 3.385 20 0 CGADLP COc1cc(C[NH2+]CCCc2c[nH+]ccc2C)ccc1C ZINC000347870176 218385069 /nfs/dbraw/zinc/38/50/69/218385069.db2.gz FZRRNXCXSFDVPI-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC(C)c1[nH+]ccn1CCc1[nH]c2ccccc2[nH+]1 ZINC000641472372 380012381 /nfs/dbraw/zinc/01/23/81/380012381.db2.gz NFHWXJRABCAKGG-UHFFFAOYSA-N 2 2 254.337 3.126 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccsc1 ZINC000347921088 218399975 /nfs/dbraw/zinc/39/99/75/218399975.db2.gz LOXUMUPUGXECSU-UHFFFAOYSA-N 2 2 260.406 3.216 20 0 CGADLP c1cn(-c2ncccc2C[NH2+]C(C2CCC2)C2CCC2)c[nH+]1 ZINC000283352861 380055875 /nfs/dbraw/zinc/05/58/75/380055875.db2.gz MNYUIXAKOMBKNI-UHFFFAOYSA-N 2 2 296.418 3.326 20 0 CGADLP Cc1cccn2c(C[NH2+]CC3(C(F)(F)F)CC3)c[nH+]c12 ZINC000353046574 380092549 /nfs/dbraw/zinc/09/25/49/380092549.db2.gz LCJBWJCQQLKGAW-UHFFFAOYSA-N 2 2 283.297 3.075 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)CC2 ZINC000641781553 380096388 /nfs/dbraw/zinc/09/63/88/380096388.db2.gz VCCKESRHIUDBGI-WMZOPIPTSA-N 2 2 281.403 3.329 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1nsc2ccccc12 ZINC000641792783 380104742 /nfs/dbraw/zinc/10/47/42/380104742.db2.gz DUNXGOBCAZWOQV-UHFFFAOYSA-N 2 2 298.415 3.047 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000353092161 380111040 /nfs/dbraw/zinc/11/10/40/380111040.db2.gz ROUCABZBQXUSIS-BBRMVZONSA-N 2 2 290.476 3.264 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000353092161 380111048 /nfs/dbraw/zinc/11/10/48/380111048.db2.gz ROUCABZBQXUSIS-BBRMVZONSA-N 2 2 290.476 3.264 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000353253776 380190158 /nfs/dbraw/zinc/19/01/58/380190158.db2.gz VUYKTHHVUQYPQK-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000353253776 380190163 /nfs/dbraw/zinc/19/01/63/380190163.db2.gz VUYKTHHVUQYPQK-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000414481604 380258608 /nfs/dbraw/zinc/25/86/08/380258608.db2.gz FGEJJXSPKNLQNR-RTBURBONSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c[nH+]1 ZINC000414481604 380258609 /nfs/dbraw/zinc/25/86/09/380258609.db2.gz FGEJJXSPKNLQNR-RTBURBONSA-N 2 2 296.414 3.131 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643068343 380211193 /nfs/dbraw/zinc/21/11/93/380211193.db2.gz FRLHIRDIFCHIOK-FUHWJXTLSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000643068343 380211203 /nfs/dbraw/zinc/21/12/03/380211203.db2.gz FRLHIRDIFCHIOK-FUHWJXTLSA-N 2 2 266.388 3.024 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088637 380316468 /nfs/dbraw/zinc/31/64/68/380316468.db2.gz SJUPGHCFYDENOF-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088637 380316474 /nfs/dbraw/zinc/31/64/74/380316474.db2.gz SJUPGHCFYDENOF-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088637 380316478 /nfs/dbraw/zinc/31/64/78/380316478.db2.gz SJUPGHCFYDENOF-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000354088637 380316480 /nfs/dbraw/zinc/31/64/80/380316480.db2.gz SJUPGHCFYDENOF-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000348065225 218444542 /nfs/dbraw/zinc/44/45/42/218444542.db2.gz BKWFVKCKGUOSSL-KGLIPLIRSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502147 380324332 /nfs/dbraw/zinc/32/43/32/380324332.db2.gz YHOOVJPHIGDGGY-AAEUAGOBSA-N 2 2 281.469 3.368 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc2ccccc21 ZINC000643506022 380326082 /nfs/dbraw/zinc/32/60/82/380326082.db2.gz HYOGBZAYZHQBEU-ZDUSSCGKSA-N 2 2 254.377 3.242 20 0 CGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])CC2CCCCC2)n1 ZINC000414499720 380275539 /nfs/dbraw/zinc/27/55/39/380275539.db2.gz ZPKZOEJZXANIBH-STQMWFEESA-N 2 2 280.416 3.086 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771977 380395969 /nfs/dbraw/zinc/39/59/69/380395969.db2.gz QIWTYLULTJCVPC-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000414771977 380395974 /nfs/dbraw/zinc/39/59/74/380395974.db2.gz QIWTYLULTJCVPC-IUODEOHRSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000643526007 380341161 /nfs/dbraw/zinc/34/11/61/380341161.db2.gz MFGYMXOFMUIZSG-QWRGUYRKSA-N 2 2 294.345 3.439 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(OCCC)c1 ZINC000643525695 380341279 /nfs/dbraw/zinc/34/12/79/380341279.db2.gz BBGKZTMHFNBDBC-KBPBESRZSA-N 2 2 294.439 3.262 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000354167078 380351008 /nfs/dbraw/zinc/35/10/08/380351008.db2.gz NGMQQRXYONFBLT-LVQVYYBASA-N 2 2 284.513 3.228 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165062 380351206 /nfs/dbraw/zinc/35/12/06/380351206.db2.gz DEFVKBOONQCFEI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165062 380351210 /nfs/dbraw/zinc/35/12/10/380351210.db2.gz DEFVKBOONQCFEI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165062 380351213 /nfs/dbraw/zinc/35/12/13/380351213.db2.gz DEFVKBOONQCFEI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000354165062 380351215 /nfs/dbraw/zinc/35/12/15/380351215.db2.gz DEFVKBOONQCFEI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000414652799 380351643 /nfs/dbraw/zinc/35/16/43/380351643.db2.gz HJZVVEGZXQHHTC-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000414652799 380351648 /nfs/dbraw/zinc/35/16/48/380351648.db2.gz HJZVVEGZXQHHTC-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000643537354 380354137 /nfs/dbraw/zinc/35/41/37/380354137.db2.gz GAZQRCXIABZBGU-MWDXBVQZSA-N 2 2 276.399 3.002 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(F)cc2F)c[nH+]1 ZINC000354182453 380356637 /nfs/dbraw/zinc/35/66/37/380356637.db2.gz QIVLOYNCLHAVAM-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000354398195 380423741 /nfs/dbraw/zinc/42/37/41/380423741.db2.gz FVFGVFFZLQYQNG-HNNXBMFYSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1C ZINC000414825538 380433739 /nfs/dbraw/zinc/43/37/39/380433739.db2.gz CNRNGZLPGPEPNW-SFHVURJKSA-N 2 2 268.404 3.401 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000644536550 380441777 /nfs/dbraw/zinc/44/17/77/380441777.db2.gz GFDVMWHHUKCCOY-OHFALNGGSA-N 2 2 283.419 3.338 20 0 CGADLP CC(C)c1nc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000414833407 380441852 /nfs/dbraw/zinc/44/18/52/380441852.db2.gz FLKURFJGRWGRMR-AWEZNQCLSA-N 2 2 281.469 3.264 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2coc(-c3ccccc3)n2)CCCCC1 ZINC000414845475 380449530 /nfs/dbraw/zinc/44/95/30/380449530.db2.gz QYOXEONEKMXQRR-UHFFFAOYSA-N 2 2 285.391 3.093 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000354472026 380451077 /nfs/dbraw/zinc/45/10/77/380451077.db2.gz WVOOQXDJXGYFGE-NVXWUHKLSA-N 2 2 276.424 3.116 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000414848033 380451941 /nfs/dbraw/zinc/45/19/41/380451941.db2.gz PITBTDNOBPTFAY-XJKSGUPXSA-N 2 2 278.465 3.153 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC(F)(F)C2)c[nH+]1 ZINC000354470873 380452026 /nfs/dbraw/zinc/45/20/26/380452026.db2.gz WDMKQSDQLOGYQT-CQSZACIVSA-N 2 2 268.351 3.490 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414789111 380405274 /nfs/dbraw/zinc/40/52/74/380405274.db2.gz DZVPTWAIQNSKAX-LBPRGKRZSA-N 2 2 266.772 3.159 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccccc2)N(C)C)c[nH+]1 ZINC000354566128 380486927 /nfs/dbraw/zinc/48/69/27/380486927.db2.gz KWOPOPPJGFWAFI-IBGZPJMESA-N 2 2 297.446 3.215 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1sccc1Cl ZINC000414921831 380489461 /nfs/dbraw/zinc/48/94/61/380489461.db2.gz BVPNTJZNPGQILM-LBPRGKRZSA-N 2 2 272.845 3.269 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[NH2+][C@H]3C)ccc2c1 ZINC000414937290 380495085 /nfs/dbraw/zinc/49/50/85/380495085.db2.gz DHKZNAWCNHZXST-SCLBCKFNSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414934232 380496566 /nfs/dbraw/zinc/49/65/66/380496566.db2.gz BGMNKPVQEOZKKG-AAEUAGOBSA-N 2 2 266.454 3.276 20 0 CGADLP c1sc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1-c1ccccc1 ZINC000414866560 380465081 /nfs/dbraw/zinc/46/50/81/380465081.db2.gz NCXBLJNUBRMYAT-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1cc(OC)cc(C)[nH+]1 ZINC000414870159 380466707 /nfs/dbraw/zinc/46/67/07/380466707.db2.gz RKUUEUFWLCVKAY-UHFFFAOYSA-N 2 2 285.391 3.120 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000414882317 380474246 /nfs/dbraw/zinc/47/42/46/380474246.db2.gz MBHWTOUYRBYSJO-NSHDSACASA-N 2 2 276.380 3.006 20 0 CGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898974 380479483 /nfs/dbraw/zinc/47/94/83/380479483.db2.gz BKKJKUYTRSSQLE-GFCCVEGCSA-N 2 2 290.304 3.076 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC000355113133 380580284 /nfs/dbraw/zinc/58/02/84/380580284.db2.gz JDXRIIJPTZAWTO-YJBOKZPZSA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC000355113133 380580289 /nfs/dbraw/zinc/58/02/89/380580289.db2.gz JDXRIIJPTZAWTO-YJBOKZPZSA-N 2 2 290.451 3.460 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)C[NH+]2CCCC2)c[nH+]1 ZINC000355129989 380588745 /nfs/dbraw/zinc/58/87/45/380588745.db2.gz JRIYOADOQNZWFS-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@]2(CO)CC(C)C)c[nH+]1 ZINC000355141389 380597229 /nfs/dbraw/zinc/59/72/29/380597229.db2.gz WSYYZSJMZXPPMS-GOSISDBHSA-N 2 2 290.451 3.196 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@]2(CO)CC(C)C)c[nH+]1 ZINC000355141389 380597230 /nfs/dbraw/zinc/59/72/30/380597230.db2.gz WSYYZSJMZXPPMS-GOSISDBHSA-N 2 2 290.451 3.196 20 0 CGADLP COc1cccc2c(C[NH2+]CC3([NH+](C)C)CC3)cccc12 ZINC000418117913 380704193 /nfs/dbraw/zinc/70/41/93/380704193.db2.gz UUZNFWGSROTAIC-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000645855159 380753342 /nfs/dbraw/zinc/75/33/42/380753342.db2.gz NLMBKKIRAOQXJD-UHFFFAOYSA-N 2 2 275.421 3.222 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC[C@@H](C)C3)c[nH+]c12 ZINC000355608418 380727212 /nfs/dbraw/zinc/72/72/12/380727212.db2.gz OURZVMJSRGJMTN-TZMCWYRMSA-N 2 2 257.381 3.169 20 0 CGADLP Cc1[nH+]ccc(N(C)Cc2cn3c([nH+]2)CCCC3)c1Cl ZINC000355676338 380747182 /nfs/dbraw/zinc/74/71/82/380747182.db2.gz TUJQJCQENAXBPL-UHFFFAOYSA-N 2 2 290.798 3.213 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000356172589 380792214 /nfs/dbraw/zinc/79/22/14/380792214.db2.gz WDLOEKCKBWJPOU-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP CSC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000356172589 380792218 /nfs/dbraw/zinc/79/22/18/380792218.db2.gz WDLOEKCKBWJPOU-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP CC(C)C1CCC(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000356290378 380794961 /nfs/dbraw/zinc/79/49/61/380794961.db2.gz IBYODQHOTVZBBD-UHFFFAOYSA-N 2 2 261.413 3.161 20 0 CGADLP CC(C)C1CCC(C[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000356290378 380794965 /nfs/dbraw/zinc/79/49/65/380794965.db2.gz IBYODQHOTVZBBD-UHFFFAOYSA-N 2 2 261.413 3.161 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118105 380842719 /nfs/dbraw/zinc/84/27/19/380842719.db2.gz DLODDRSJOUSOGJ-GOSISDBHSA-N 2 2 293.414 3.356 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118105 380842722 /nfs/dbraw/zinc/84/27/22/380842722.db2.gz DLODDRSJOUSOGJ-GOSISDBHSA-N 2 2 293.414 3.356 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000356897752 380926833 /nfs/dbraw/zinc/92/68/33/380926833.db2.gz MLRRNBPINJPLDL-AWEZNQCLSA-N 2 2 287.451 3.312 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340925 380882547 /nfs/dbraw/zinc/88/25/47/380882547.db2.gz JCLWBKDESPBOAT-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340925 380882549 /nfs/dbraw/zinc/88/25/49/380882549.db2.gz JCLWBKDESPBOAT-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340925 380882556 /nfs/dbraw/zinc/88/25/56/380882556.db2.gz JCLWBKDESPBOAT-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340925 380882562 /nfs/dbraw/zinc/88/25/62/380882562.db2.gz JCLWBKDESPBOAT-AEFFLSMTSA-N 2 2 270.420 3.090 20 0 CGADLP Cc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc(C)n1 ZINC000421370781 380909008 /nfs/dbraw/zinc/90/90/08/380909008.db2.gz CZPRNKSFGFIODW-UHFFFAOYSA-N 2 2 269.392 3.124 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000356912124 380934232 /nfs/dbraw/zinc/93/42/32/380934232.db2.gz ZMWCGAJBQBMCMR-YQQAZPJKSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000334787820 207075370 /nfs/dbraw/zinc/07/53/70/207075370.db2.gz YGOKNNRBKRZZSV-RISCZKNCSA-N 2 2 276.355 3.144 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000334787820 207075373 /nfs/dbraw/zinc/07/53/73/207075373.db2.gz YGOKNNRBKRZZSV-RISCZKNCSA-N 2 2 276.355 3.144 20 0 CGADLP FC1(F)CC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334792719 207085416 /nfs/dbraw/zinc/08/54/16/207085416.db2.gz KRBXUGLZZHTTTG-LLVKDONJSA-N 2 2 269.339 3.025 20 0 CGADLP c1cn2c(cccc2CNc2cc3c(c[nH+]2)CCCC3)[nH+]1 ZINC000359478201 381348252 /nfs/dbraw/zinc/34/82/52/381348252.db2.gz ZCQRUSFFNSJBDE-UHFFFAOYSA-N 2 2 278.359 3.220 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000212736674 542284354 /nfs/dbraw/zinc/28/43/54/542284354.db2.gz WIMZQUSYYLUPHQ-LLVKDONJSA-N 2 2 270.779 3.226 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1cccnc1)C(C)C)CCC2 ZINC000359320726 381343580 /nfs/dbraw/zinc/34/35/80/381343580.db2.gz KCJSEKSYJZRAHU-IAGOWNOFSA-N 2 2 298.434 3.451 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000359969101 381392742 /nfs/dbraw/zinc/39/27/42/381392742.db2.gz FTIVSJFDPWYUHC-UTUOFQBUSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000359969101 381392748 /nfs/dbraw/zinc/39/27/48/381392748.db2.gz FTIVSJFDPWYUHC-UTUOFQBUSA-N 2 2 266.351 3.180 20 0 CGADLP Cc1ccc(C(=O)CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000360146843 381459595 /nfs/dbraw/zinc/45/95/95/381459595.db2.gz DCDIEWKMJHDJKQ-UHFFFAOYSA-N 2 2 297.402 3.171 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)s1 ZINC000227591848 542294339 /nfs/dbraw/zinc/29/43/39/542294339.db2.gz CKSFSKQJMJBBNC-NSHDSACASA-N 2 2 269.458 3.141 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)s1 ZINC000227591848 542294340 /nfs/dbraw/zinc/29/43/40/542294340.db2.gz CKSFSKQJMJBBNC-NSHDSACASA-N 2 2 269.458 3.141 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000362505284 382024031 /nfs/dbraw/zinc/02/40/31/382024031.db2.gz MFMTZLLOACQVIH-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000362505284 382024036 /nfs/dbraw/zinc/02/40/36/382024036.db2.gz MFMTZLLOACQVIH-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000363384674 382212722 /nfs/dbraw/zinc/21/27/22/382212722.db2.gz NXJZSBKAFFGENK-QGZVFWFLSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000363384674 382212726 /nfs/dbraw/zinc/21/27/26/382212726.db2.gz NXJZSBKAFFGENK-QGZVFWFLSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000235979367 542313510 /nfs/dbraw/zinc/31/35/10/542313510.db2.gz JVFWXDCARNVMTG-LSDHHAIUSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000235979367 542313514 /nfs/dbraw/zinc/31/35/14/542313514.db2.gz JVFWXDCARNVMTG-LSDHHAIUSA-N 2 2 278.827 3.365 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000366369965 382307729 /nfs/dbraw/zinc/30/77/29/382307729.db2.gz BMDVRCFVIMTLAM-OWCLPIDISA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366369965 382307736 /nfs/dbraw/zinc/30/77/36/382307736.db2.gz BMDVRCFVIMTLAM-OWCLPIDISA-N 2 2 292.467 3.083 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101435 382365552 /nfs/dbraw/zinc/36/55/52/382365552.db2.gz KFXHQCAXWZDPSK-HIFRSBDPSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101435 382365556 /nfs/dbraw/zinc/36/55/56/382365556.db2.gz KFXHQCAXWZDPSK-HIFRSBDPSA-N 2 2 297.402 3.079 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000251710681 542347839 /nfs/dbraw/zinc/34/78/39/542347839.db2.gz JMUGBYFWLLWUOG-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000251710681 542347840 /nfs/dbraw/zinc/34/78/40/542347840.db2.gz JMUGBYFWLLWUOG-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251724208 542347856 /nfs/dbraw/zinc/34/78/56/542347856.db2.gz KDALEUTUDSPAJE-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251724208 542347857 /nfs/dbraw/zinc/34/78/57/542347857.db2.gz KDALEUTUDSPAJE-BXUZGUMPSA-N 2 2 270.779 3.038 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000279808214 194582135 /nfs/dbraw/zinc/58/21/35/194582135.db2.gz WYJITNJCZFSIGH-QAPCUYQASA-N 2 2 299.418 3.249 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000163405057 285030272 /nfs/dbraw/zinc/03/02/72/285030272.db2.gz QHHDTLAJSIWMPR-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000163405057 285030275 /nfs/dbraw/zinc/03/02/75/285030275.db2.gz QHHDTLAJSIWMPR-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423505079 533009615 /nfs/dbraw/zinc/00/96/15/533009615.db2.gz HEGNBUKYEFIGMT-JCGIZDLHSA-N 2 2 296.414 3.101 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@H](F)C3)c[nH+]c12 ZINC000335372728 208304228 /nfs/dbraw/zinc/30/42/28/208304228.db2.gz OEIPZAWZJTYBLX-STQMWFEESA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749520 220302719 /nfs/dbraw/zinc/30/27/19/220302719.db2.gz LNOPLHWXAYLUTN-BLLLJJGKSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749520 220302720 /nfs/dbraw/zinc/30/27/20/220302720.db2.gz LNOPLHWXAYLUTN-BLLLJJGKSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749520 220302721 /nfs/dbraw/zinc/30/27/21/220302721.db2.gz LNOPLHWXAYLUTN-BLLLJJGKSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749520 220302722 /nfs/dbraw/zinc/30/27/22/220302722.db2.gz LNOPLHWXAYLUTN-BLLLJJGKSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242585 219001967 /nfs/dbraw/zinc/00/19/67/219001967.db2.gz FPXIKGOVOSQICL-JEBQAFNWSA-N 2 2 288.410 3.301 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000350242585 219001968 /nfs/dbraw/zinc/00/19/68/219001968.db2.gz FPXIKGOVOSQICL-JEBQAFNWSA-N 2 2 288.410 3.301 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000289300831 197288983 /nfs/dbraw/zinc/28/89/83/197288983.db2.gz QWHUSYDCBBSVOR-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccncc1 ZINC000289292348 197285517 /nfs/dbraw/zinc/28/55/17/197285517.db2.gz BILNUUOTYQQKGO-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccncc1 ZINC000289292348 197285519 /nfs/dbraw/zinc/28/55/19/197285519.db2.gz BILNUUOTYQQKGO-UHFFFAOYSA-N 2 2 297.446 3.124 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000353806384 220342700 /nfs/dbraw/zinc/34/27/00/220342700.db2.gz PMUYXRQXNZFTQT-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000353806384 220342703 /nfs/dbraw/zinc/34/27/03/220342703.db2.gz PMUYXRQXNZFTQT-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000353839128 220359575 /nfs/dbraw/zinc/35/95/75/220359575.db2.gz CQYQWIWXCKRFJQ-GUYCJALGSA-N 2 2 276.399 3.301 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)CCCc2c[nH+]ccc2C)CC1 ZINC000289077998 197229527 /nfs/dbraw/zinc/22/95/27/197229527.db2.gz KHKSAHGEGIUVQC-UHFFFAOYSA-N 3 2 289.467 3.129 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)CCCc2c[nH+]ccc2C)CC1 ZINC000289077998 197229529 /nfs/dbraw/zinc/22/95/29/197229529.db2.gz KHKSAHGEGIUVQC-UHFFFAOYSA-N 3 2 289.467 3.129 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103011 533176955 /nfs/dbraw/zinc/17/69/55/533176955.db2.gz RJLFOTUXFGRFII-VNHYZAJKSA-N 2 2 299.418 3.057 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103011 533176957 /nfs/dbraw/zinc/17/69/57/533176957.db2.gz RJLFOTUXFGRFII-VNHYZAJKSA-N 2 2 299.418 3.057 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192605996 285288172 /nfs/dbraw/zinc/28/81/72/285288172.db2.gz VBOVQGAGDOCHMP-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192605996 285288174 /nfs/dbraw/zinc/28/81/74/285288174.db2.gz VBOVQGAGDOCHMP-WMLDXEAASA-N 2 2 273.424 3.007 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000348106992 542515567 /nfs/dbraw/zinc/51/55/67/542515567.db2.gz QAXDIFQZSXULHU-QZTJIDSGSA-N 2 2 281.403 3.210 20 0 CGADLP CC1(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000348177269 542516402 /nfs/dbraw/zinc/51/64/02/542516402.db2.gz XXUYSORSZLDAOZ-UHFFFAOYSA-N 2 2 269.392 3.211 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208389 542562387 /nfs/dbraw/zinc/56/23/87/542562387.db2.gz GPMOXISCCWUBDI-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC(C(F)(F)F)CC1 ZINC000354208389 542562391 /nfs/dbraw/zinc/56/23/91/542562391.db2.gz GPMOXISCCWUBDI-RYSNWHEDSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)oc1C ZINC000282123620 195512862 /nfs/dbraw/zinc/51/28/62/195512862.db2.gz JRMXJGFQPBIPLI-ZDUSSCGKSA-N 2 2 264.413 3.420 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1C ZINC000414070939 533339681 /nfs/dbraw/zinc/33/96/81/533339681.db2.gz LMGNWKVZUPHKDP-HBUWYVDXSA-N 2 2 290.426 3.424 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1F ZINC000096543583 533351536 /nfs/dbraw/zinc/35/15/36/533351536.db2.gz KHPQJJRBVNKDBZ-LLVKDONJSA-N 2 2 270.367 3.203 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H](C)c1ccccc1 ZINC000437100035 533361004 /nfs/dbraw/zinc/36/10/04/533361004.db2.gz UHHAXJJJQBTKNV-LSDHHAIUSA-N 2 2 260.425 3.253 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000441357416 533417203 /nfs/dbraw/zinc/41/72/03/533417203.db2.gz NQBBMYDLYCXTRL-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@@H](C)C1 ZINC000441357416 533417209 /nfs/dbraw/zinc/41/72/09/533417209.db2.gz NQBBMYDLYCXTRL-MAUKXSAKSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423315066 533429233 /nfs/dbraw/zinc/42/92/33/533429233.db2.gz IHQYIBSQUQEMMR-DOMZBBRYSA-N 2 2 270.376 3.335 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1F ZINC000423231265 533430707 /nfs/dbraw/zinc/43/07/07/533430707.db2.gz APQLFJVEHOYTPO-ABAIWWIYSA-N 2 2 276.330 3.315 20 0 CGADLP COc1ccc(C2CCC([NH2+]C[C@H](C)[NH+](C)C)CC2)cc1 ZINC000449557435 533431536 /nfs/dbraw/zinc/43/15/36/533431536.db2.gz RICZAGGNTHYNRH-UQPPLGOBSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccs1 ZINC000423507371 533527182 /nfs/dbraw/zinc/52/71/82/533527182.db2.gz ILXJIFFVIYTSMH-VHDGCEQUSA-N 2 2 272.417 3.154 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccsc1 ZINC000423505930 533527935 /nfs/dbraw/zinc/52/79/35/533527935.db2.gz HPMZLOHQDBVAMF-UHOFOFEASA-N 2 2 272.417 3.154 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1F ZINC000423525576 533510864 /nfs/dbraw/zinc/51/08/64/533510864.db2.gz KLSZAFMSASEABX-BMIGLBTASA-N 2 2 268.351 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423545894 533540786 /nfs/dbraw/zinc/54/07/86/533540786.db2.gz FBCUGPCAWFBSRL-DYVFJYSZSA-N 2 2 258.409 3.357 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000449045584 533654457 /nfs/dbraw/zinc/65/44/57/533654457.db2.gz ICJVDYQXUAAEIO-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000449045584 533654466 /nfs/dbraw/zinc/65/44/66/533654466.db2.gz ICJVDYQXUAAEIO-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1F)C2 ZINC000388652157 542605466 /nfs/dbraw/zinc/60/54/66/542605466.db2.gz ZNLCDMVHXGJDQH-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1F)C2 ZINC000388652157 542605469 /nfs/dbraw/zinc/60/54/69/542605469.db2.gz ZNLCDMVHXGJDQH-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078197 130179827 /nfs/dbraw/zinc/17/98/27/130179827.db2.gz KFOKMKDPRHJTIP-GRDNDAEWSA-N 2 2 285.391 3.090 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053375452 392084642 /nfs/dbraw/zinc/08/46/42/392084642.db2.gz UARSIZJIGVKFMS-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053375452 392084647 /nfs/dbraw/zinc/08/46/47/392084647.db2.gz UARSIZJIGVKFMS-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000054110417 392088565 /nfs/dbraw/zinc/08/85/65/392088565.db2.gz QKCSAQDOSQENMY-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000054110417 392088571 /nfs/dbraw/zinc/08/85/71/392088571.db2.gz QKCSAQDOSQENMY-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000361767071 392318847 /nfs/dbraw/zinc/31/88/47/392318847.db2.gz OYWHEYMOONIQEJ-DZKIICNBSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000361767071 392318854 /nfs/dbraw/zinc/31/88/54/392318854.db2.gz OYWHEYMOONIQEJ-DZKIICNBSA-N 2 2 283.419 3.368 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000361828131 392335965 /nfs/dbraw/zinc/33/59/65/392335965.db2.gz DYQLJRDHWUCJEB-HNNXBMFYSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000361828131 392335972 /nfs/dbraw/zinc/33/59/72/392335972.db2.gz DYQLJRDHWUCJEB-HNNXBMFYSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@@H]1C ZINC000361843182 392342217 /nfs/dbraw/zinc/34/22/17/392342217.db2.gz PAKKOFSCJTVYQL-KBXCAEBGSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@@H]1C ZINC000361843182 392342222 /nfs/dbraw/zinc/34/22/22/392342222.db2.gz PAKKOFSCJTVYQL-KBXCAEBGSA-N 2 2 299.418 3.038 20 0 CGADLP CC[C@@]1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000361848525 392344032 /nfs/dbraw/zinc/34/40/32/392344032.db2.gz JIDIEZFYBVVLFH-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[C@@]1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000361848525 392344035 /nfs/dbraw/zinc/34/40/35/392344035.db2.gz JIDIEZFYBVVLFH-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C)CC3)o2)cc1 ZINC000237169010 131009864 /nfs/dbraw/zinc/00/98/64/131009864.db2.gz FLEAZDFIHKGBBT-UHFFFAOYSA-N 2 2 284.403 3.439 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000246985165 131099442 /nfs/dbraw/zinc/09/94/42/131099442.db2.gz RHZCEVPYGKVNAK-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000246985165 131099444 /nfs/dbraw/zinc/09/94/44/131099444.db2.gz RHZCEVPYGKVNAK-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H](CC[N@@H+]1CCC[C@@](C)(F)C1)[NH+]1CCC[C@](C)(F)C1 ZINC000451111181 542674102 /nfs/dbraw/zinc/67/41/02/542674102.db2.gz DOKFIMANCXQPII-OAGGEKHMSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[N@H+]1CCC[C@@](C)(F)C1)[NH+]1CCC[C@](C)(F)C1 ZINC000451111181 542674106 /nfs/dbraw/zinc/67/41/06/542674106.db2.gz DOKFIMANCXQPII-OAGGEKHMSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@@](C)(F)C1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451111181 542674108 /nfs/dbraw/zinc/67/41/08/542674108.db2.gz DOKFIMANCXQPII-OAGGEKHMSA-N 2 2 288.426 3.413 20 0 CGADLP C[C@H](CC[NH+]1CCC[C@@](C)(F)C1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451111181 542674111 /nfs/dbraw/zinc/67/41/11/542674111.db2.gz DOKFIMANCXQPII-OAGGEKHMSA-N 2 2 288.426 3.413 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447598246 542670851 /nfs/dbraw/zinc/67/08/51/542670851.db2.gz GZAKJSLNMHNNRC-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447598246 542670853 /nfs/dbraw/zinc/67/08/53/542670853.db2.gz GZAKJSLNMHNNRC-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000289496592 392423094 /nfs/dbraw/zinc/42/30/94/392423094.db2.gz DBBBOQOPZNPIKR-CQSZACIVSA-N 2 2 275.421 3.034 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000289496592 392423102 /nfs/dbraw/zinc/42/31/02/392423102.db2.gz DBBBOQOPZNPIKR-CQSZACIVSA-N 2 2 275.421 3.034 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)cc(F)c1)CCC2 ZINC000370675538 392508064 /nfs/dbraw/zinc/50/80/64/392508064.db2.gz FSRKYNCMYGUONP-ZDUSSCGKSA-N 2 2 291.345 3.137 20 0 CGADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)Cc1ccccc1 ZINC000153172670 392511219 /nfs/dbraw/zinc/51/12/19/392511219.db2.gz OKWZNLVSRWKSDZ-INIZCTEOSA-N 2 2 283.419 3.352 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000161799739 392586259 /nfs/dbraw/zinc/58/62/59/392586259.db2.gz WBNBSGBBDWKUSV-MRXNPFEDSA-N 2 2 293.430 3.383 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000163264337 392604277 /nfs/dbraw/zinc/60/42/77/392604277.db2.gz IVNLMHVAVQTKDJ-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000163264337 392604281 /nfs/dbraw/zinc/60/42/81/392604281.db2.gz IVNLMHVAVQTKDJ-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000178064050 392670290 /nfs/dbraw/zinc/67/02/90/392670290.db2.gz UWDVSOADBHMDSF-SJLPKXTDSA-N 2 2 290.451 3.228 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000173352298 392625187 /nfs/dbraw/zinc/62/51/87/392625187.db2.gz GDKVDIXAYBXBRM-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000173352298 392625189 /nfs/dbraw/zinc/62/51/89/392625189.db2.gz GDKVDIXAYBXBRM-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000647288067 392638983 /nfs/dbraw/zinc/63/89/83/392638983.db2.gz HQTXOQUMDKEXIK-YOEHRIQHSA-N 2 2 278.440 3.322 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647554134 392767670 /nfs/dbraw/zinc/76/76/70/392767670.db2.gz RTHSQMSBMGBTFM-AWEZNQCLSA-N 2 2 282.790 3.243 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC000647541401 392757562 /nfs/dbraw/zinc/75/75/62/392757562.db2.gz STAICHZZSHIPHV-NSHDSACASA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC000647541401 392757568 /nfs/dbraw/zinc/75/75/68/392757568.db2.gz STAICHZZSHIPHV-NSHDSACASA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC000647541400 392758599 /nfs/dbraw/zinc/75/85/99/392758599.db2.gz STAICHZZSHIPHV-LLVKDONJSA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC000647541400 392758604 /nfs/dbraw/zinc/75/86/04/392758604.db2.gz STAICHZZSHIPHV-LLVKDONJSA-N 2 2 258.818 3.105 20 0 CGADLP CCC[C@@H](CC)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364145 392708803 /nfs/dbraw/zinc/70/88/03/392708803.db2.gz SVVROITVAYJAAX-CQSZACIVSA-N 2 2 259.397 3.354 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510654258 392806933 /nfs/dbraw/zinc/80/69/33/392806933.db2.gz WOEKGIWTFWSJIK-CYBMUJFWSA-N 2 2 284.394 3.217 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000335764597 392816357 /nfs/dbraw/zinc/81/63/57/392816357.db2.gz RNVNGDCMNZFCMW-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000335764597 392816363 /nfs/dbraw/zinc/81/63/63/392816363.db2.gz RNVNGDCMNZFCMW-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC2CCC1CC2 ZINC000381497807 392909048 /nfs/dbraw/zinc/90/90/48/392909048.db2.gz IUXITCACKBBUCQ-LMPOIIKSSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1cc(F)cc2c1C[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000337407155 392883586 /nfs/dbraw/zinc/88/35/86/392883586.db2.gz NHZPHYHKTITKCU-QGZVFWFLSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000337407155 392883590 /nfs/dbraw/zinc/88/35/90/392883590.db2.gz NHZPHYHKTITKCU-QGZVFWFLSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000337407155 392883594 /nfs/dbraw/zinc/88/35/94/392883594.db2.gz NHZPHYHKTITKCU-QGZVFWFLSA-N 2 2 290.426 3.367 20 0 CGADLP Cc1cc(F)cc2c1C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000337407155 392883598 /nfs/dbraw/zinc/88/35/98/392883598.db2.gz NHZPHYHKTITKCU-QGZVFWFLSA-N 2 2 290.426 3.367 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000489884233 542715888 /nfs/dbraw/zinc/71/58/88/542715888.db2.gz MXLIDGZCRJVBMH-ZWQIFLOQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000489884233 542715892 /nfs/dbraw/zinc/71/58/92/542715892.db2.gz MXLIDGZCRJVBMH-ZWQIFLOQSA-N 2 2 284.447 3.428 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)cc2)c[nH+]1 ZINC000403162131 392956543 /nfs/dbraw/zinc/95/65/43/392956543.db2.gz AKKCIIXBXZXZAI-HRCADAONSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000460952568 392962482 /nfs/dbraw/zinc/96/24/82/392962482.db2.gz PTYAJSDZLAQPLC-YJBOKZPZSA-N 2 2 295.430 3.382 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000460952568 392962492 /nfs/dbraw/zinc/96/24/92/392962492.db2.gz PTYAJSDZLAQPLC-YJBOKZPZSA-N 2 2 295.430 3.382 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000221983006 393007719 /nfs/dbraw/zinc/00/77/19/393007719.db2.gz IFZBNIWWPSPSOW-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000222021756 393008015 /nfs/dbraw/zinc/00/80/15/393008015.db2.gz DTYFRJZXVDQIEN-KURKYZTESA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000222021756 393008018 /nfs/dbraw/zinc/00/80/18/393008018.db2.gz DTYFRJZXVDQIEN-KURKYZTESA-N 2 2 270.420 3.199 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450134 393023946 /nfs/dbraw/zinc/02/39/46/393023946.db2.gz YVVJXUXAMRTHNH-PBHICJAKSA-N 2 2 298.430 3.438 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450134 393023951 /nfs/dbraw/zinc/02/39/51/393023951.db2.gz YVVJXUXAMRTHNH-PBHICJAKSA-N 2 2 298.430 3.438 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000467420603 393098965 /nfs/dbraw/zinc/09/89/65/393098965.db2.gz UTWAWZHBXNKNRM-YKTARERQSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000467420603 393098967 /nfs/dbraw/zinc/09/89/67/393098967.db2.gz UTWAWZHBXNKNRM-YKTARERQSA-N 2 2 284.447 3.313 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000467440893 393100332 /nfs/dbraw/zinc/10/03/32/393100332.db2.gz YTEMCAFJHYPYHB-ZOWXZIJZSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000467440893 393100335 /nfs/dbraw/zinc/10/03/35/393100335.db2.gz YTEMCAFJHYPYHB-ZOWXZIJZSA-N 2 2 264.438 3.009 20 0 CGADLP CC[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000467543085 393105306 /nfs/dbraw/zinc/10/53/06/393105306.db2.gz MRHKDYIMIMFPFT-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414957941 393064944 /nfs/dbraw/zinc/06/49/44/393064944.db2.gz RKBINMBVWPHODY-RDTXWAMCSA-N 2 2 288.435 3.238 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414974976 393075494 /nfs/dbraw/zinc/07/54/94/393075494.db2.gz FLQDUDJAAAENIB-QGZVFWFLSA-N 2 2 284.403 3.093 20 0 CGADLP c1csc(-c2ncc(C[NH2+][C@H]3CCCC[NH2+]C3)s2)c1 ZINC000415065504 393123786 /nfs/dbraw/zinc/12/37/86/393123786.db2.gz GKFJRDIXSVIOQL-NSHDSACASA-N 2 2 293.461 3.103 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(C)s1 ZINC000415072281 393130254 /nfs/dbraw/zinc/13/02/54/393130254.db2.gz XSVGDZBDDKHQMH-INIZCTEOSA-N 2 2 274.433 3.409 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000548150801 393181313 /nfs/dbraw/zinc/18/13/13/393181313.db2.gz ZVEPXBCKCQGIDF-CVEARBPZSA-N 2 2 261.413 3.245 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccn1 ZINC000415114746 393148920 /nfs/dbraw/zinc/14/89/20/393148920.db2.gz TZYKLPCOOFMNCN-LESCRADOSA-N 2 2 281.403 3.226 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025944 393237010 /nfs/dbraw/zinc/23/70/10/393237010.db2.gz LEYKBRWTIIPDAV-UHOSZYNNSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000354025944 393237018 /nfs/dbraw/zinc/23/70/18/393237018.db2.gz LEYKBRWTIIPDAV-UHOSZYNNSA-N 2 2 294.398 3.338 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277347604 393310210 /nfs/dbraw/zinc/31/02/10/393310210.db2.gz WLWSWFRPZFLRIF-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277347604 393310217 /nfs/dbraw/zinc/31/02/17/393310217.db2.gz WLWSWFRPZFLRIF-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCCC1 ZINC000475196373 393381450 /nfs/dbraw/zinc/38/14/50/393381450.db2.gz QBOVWAZNTVSRDD-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCCC1 ZINC000475196373 393381456 /nfs/dbraw/zinc/38/14/56/393381456.db2.gz QBOVWAZNTVSRDD-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475546723 393407569 /nfs/dbraw/zinc/40/75/69/393407569.db2.gz FJVFTAJXCGZAHL-IRWJRLHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475546723 393407572 /nfs/dbraw/zinc/40/75/72/393407572.db2.gz FJVFTAJXCGZAHL-IRWJRLHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000647230387 393400599 /nfs/dbraw/zinc/40/05/99/393400599.db2.gz FXSIMNBELARWSZ-JXSMBQFASA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647230387 393400601 /nfs/dbraw/zinc/40/06/01/393400601.db2.gz FXSIMNBELARWSZ-JXSMBQFASA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420387166 393480778 /nfs/dbraw/zinc/48/07/78/393480778.db2.gz JVUKCISHTBGRDK-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420387166 393480781 /nfs/dbraw/zinc/48/07/81/393480781.db2.gz JVUKCISHTBGRDK-DOPJRALCSA-N 2 2 284.378 3.313 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420271492 393446919 /nfs/dbraw/zinc/44/69/19/393446919.db2.gz KOINIQURFTVRHZ-JSGCOSHPSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420271492 393446924 /nfs/dbraw/zinc/44/69/24/393446924.db2.gz KOINIQURFTVRHZ-JSGCOSHPSA-N 2 2 264.438 3.110 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000420275864 393447276 /nfs/dbraw/zinc/44/72/76/393447276.db2.gz HECSWKCVEHDYFT-BXUZGUMPSA-N 2 2 273.355 3.303 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420287181 393449934 /nfs/dbraw/zinc/44/99/34/393449934.db2.gz HNLGPBQXSMJYSB-HNNXBMFYSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420287181 393449936 /nfs/dbraw/zinc/44/99/36/393449936.db2.gz HNLGPBQXSMJYSB-HNNXBMFYSA-N 2 2 284.831 3.154 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1)C(C)C)C1CC1 ZINC000427684995 393457342 /nfs/dbraw/zinc/45/73/42/393457342.db2.gz JXECXRYVUIKMCI-GOSISDBHSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1)C(C)C)C1CC1 ZINC000427684995 393457346 /nfs/dbraw/zinc/45/73/46/393457346.db2.gz JXECXRYVUIKMCI-GOSISDBHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000420309239 393459734 /nfs/dbraw/zinc/45/97/34/393459734.db2.gz DRPGERDAAAENQS-HNNXBMFYSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000420309239 393459738 /nfs/dbraw/zinc/45/97/38/393459738.db2.gz DRPGERDAAAENQS-HNNXBMFYSA-N 2 2 296.842 3.296 20 0 CGADLP [NH3+]CC[N@H+](CCCc1ccsc1)Cc1ccccc1 ZINC000420311761 393460983 /nfs/dbraw/zinc/46/09/83/393460983.db2.gz RLNASEKJYFZQIN-UHFFFAOYSA-N 2 2 274.433 3.142 20 0 CGADLP [NH3+]CC[N@@H+](CCCc1ccsc1)Cc1ccccc1 ZINC000420311761 393460987 /nfs/dbraw/zinc/46/09/87/393460987.db2.gz RLNASEKJYFZQIN-UHFFFAOYSA-N 2 2 274.433 3.142 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)o1 ZINC000420361640 393474267 /nfs/dbraw/zinc/47/42/67/393474267.db2.gz MHBWUEITQMPHIL-ZDUSSCGKSA-N 2 2 293.436 3.175 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359960 393474568 /nfs/dbraw/zinc/47/45/68/393474568.db2.gz LIMRRRWYKZYXDD-NXEZZACHSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359960 393474574 /nfs/dbraw/zinc/47/45/74/393474574.db2.gz LIMRRRWYKZYXDD-NXEZZACHSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000420376163 393478605 /nfs/dbraw/zinc/47/86/05/393478605.db2.gz UUNQTBSFZCLTKI-NWJSVONSSA-N 2 2 266.816 3.377 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488323241 393488311 /nfs/dbraw/zinc/48/83/11/393488311.db2.gz BOGWCTHCLPKITC-UHFFFAOYSA-N 2 2 289.398 3.269 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000488349441 393493156 /nfs/dbraw/zinc/49/31/56/393493156.db2.gz OZPVKSSVUWADLD-HYVNUMGLSA-N 2 2 258.409 3.069 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000488349500 393493280 /nfs/dbraw/zinc/49/32/80/393493280.db2.gz DVQCMYWYBIRQEQ-XKQJLSEDSA-N 2 2 260.425 3.097 20 0 CGADLP COCCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000649595787 393507760 /nfs/dbraw/zinc/50/77/60/393507760.db2.gz ZWWDMXGRYRUFTJ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP COCCCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000649595787 393507763 /nfs/dbraw/zinc/50/77/63/393507763.db2.gz ZWWDMXGRYRUFTJ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488446142 393517015 /nfs/dbraw/zinc/51/70/15/393517015.db2.gz SYGXLBCDBPAWFJ-HIFRSBDPSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000358387352 393525489 /nfs/dbraw/zinc/52/54/89/393525489.db2.gz BJDBYPXTWUVTJA-DFBGVHRSSA-N 2 2 294.826 3.093 20 0 CGADLP CC1=C[C@@H](C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430873618 393601594 /nfs/dbraw/zinc/60/15/94/393601594.db2.gz VIZPFPXFNLYCPO-GFCCVEGCSA-N 2 2 273.405 3.332 20 0 CGADLP CC1=C[C@@H](C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430873618 393601599 /nfs/dbraw/zinc/60/15/99/393601599.db2.gz VIZPFPXFNLYCPO-GFCCVEGCSA-N 2 2 273.405 3.332 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489518616 393602038 /nfs/dbraw/zinc/60/20/38/393602038.db2.gz SQINCWQZDCXKNK-MRXNPFEDSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489518616 393602042 /nfs/dbraw/zinc/60/20/42/393602042.db2.gz SQINCWQZDCXKNK-MRXNPFEDSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)o1 ZINC000430576758 393578462 /nfs/dbraw/zinc/57/84/62/393578462.db2.gz XANYRNTVQDSUIT-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)o1 ZINC000430576758 393578468 /nfs/dbraw/zinc/57/84/68/393578468.db2.gz XANYRNTVQDSUIT-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576323 393579113 /nfs/dbraw/zinc/57/91/13/393579113.db2.gz XADHUBJVGFHVKR-GXTWGEPZSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576323 393579115 /nfs/dbraw/zinc/57/91/15/393579115.db2.gz XADHUBJVGFHVKR-GXTWGEPZSA-N 2 2 293.480 3.360 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430624773 393581975 /nfs/dbraw/zinc/58/19/75/393581975.db2.gz PPNQBOWYQPUIQN-CYBMUJFWSA-N 2 2 293.480 3.362 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430624773 393581983 /nfs/dbraw/zinc/58/19/83/393581983.db2.gz PPNQBOWYQPUIQN-CYBMUJFWSA-N 2 2 293.480 3.362 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639500 393582204 /nfs/dbraw/zinc/58/22/04/393582204.db2.gz GBVIYZQRKTUZGP-KGLIPLIRSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639500 393582210 /nfs/dbraw/zinc/58/22/10/393582210.db2.gz GBVIYZQRKTUZGP-KGLIPLIRSA-N 2 2 285.391 3.073 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000360946503 393621993 /nfs/dbraw/zinc/62/19/93/393621993.db2.gz JXJIXLMAQDQMMQ-HZPDHXFCSA-N 2 2 293.455 3.282 20 0 CGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000361021546 393646477 /nfs/dbraw/zinc/64/64/77/393646477.db2.gz HBAKPFIMTFMOOM-UHFFFAOYSA-N 2 2 269.458 3.073 20 0 CGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C ZINC000361021546 393646481 /nfs/dbraw/zinc/64/64/81/393646481.db2.gz HBAKPFIMTFMOOM-UHFFFAOYSA-N 2 2 269.458 3.073 20 0 CGADLP CC(C)(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423212795 393654862 /nfs/dbraw/zinc/65/48/62/393654862.db2.gz KABXQMSFZUKCHK-CZUORRHYSA-N 2 2 272.392 3.472 20 0 CGADLP c1cn(CCCC2CC[NH+](CC3CCC3)CC2)c[nH+]1 ZINC000361053909 393658015 /nfs/dbraw/zinc/65/80/15/393658015.db2.gz AKYZBPVWIVMJQK-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000443093625 393743521 /nfs/dbraw/zinc/74/35/21/393743521.db2.gz NCDFOXKIHUQENS-UONOGXRCSA-N 2 2 275.421 3.390 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443208423 393749794 /nfs/dbraw/zinc/74/97/94/393749794.db2.gz BHWYVGZRYGDGPS-ZOBUZTSGSA-N 2 2 278.440 3.001 20 0 CGADLP CC(C)[C@H](C[NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000433116853 393687826 /nfs/dbraw/zinc/68/78/26/393687826.db2.gz NDOKUYLVXAAZSG-INIZCTEOSA-N 2 2 299.374 3.043 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000491421833 393687990 /nfs/dbraw/zinc/68/79/90/393687990.db2.gz ZQSLSLXGFZSCOL-UHFFFAOYSA-N 2 2 273.361 3.125 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000433136334 393689117 /nfs/dbraw/zinc/68/91/17/393689117.db2.gz XMDXRFMESCAURP-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000361229540 393706415 /nfs/dbraw/zinc/70/64/15/393706415.db2.gz VZCCKHFKOJRWQQ-GOSISDBHSA-N 2 2 299.418 3.045 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000361229540 393706420 /nfs/dbraw/zinc/70/64/20/393706420.db2.gz VZCCKHFKOJRWQQ-GOSISDBHSA-N 2 2 299.418 3.045 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501868168 393863445 /nfs/dbraw/zinc/86/34/45/393863445.db2.gz BPIASSPKEZMDME-ROUUACIJSA-N 2 2 272.436 3.398 20 0 CGADLP CC(C)C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000503011692 393889758 /nfs/dbraw/zinc/88/97/58/393889758.db2.gz KEDFNLQBNOLREK-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000503011692 393889760 /nfs/dbraw/zinc/88/97/60/393889760.db2.gz KEDFNLQBNOLREK-UHFFFAOYSA-N 2 2 282.472 3.046 20 0 CGADLP Clc1cscc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996686 542833361 /nfs/dbraw/zinc/83/33/61/542833361.db2.gz AAIMYPGYHDUZFE-LLVKDONJSA-N 2 2 270.829 3.166 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C4(C)CC4)CC3)n2c1 ZINC000449672130 393938167 /nfs/dbraw/zinc/93/81/67/393938167.db2.gz LSRUYEFRZRMIRI-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742607 393944575 /nfs/dbraw/zinc/94/45/75/393944575.db2.gz PPCSTAUTWPHSDX-FDPIWHGQSA-N 2 2 284.447 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742607 393944578 /nfs/dbraw/zinc/94/45/78/393944578.db2.gz PPCSTAUTWPHSDX-FDPIWHGQSA-N 2 2 284.447 3.458 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000453115180 394176309 /nfs/dbraw/zinc/17/63/09/394176309.db2.gz HURWZAHKKYUIMC-CVEARBPZSA-N 2 2 284.407 3.205 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000453061567 394157042 /nfs/dbraw/zinc/15/70/42/394157042.db2.gz DAMYDFJNAWDDCK-YQQAZPJKSA-N 2 2 292.471 3.064 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cs1 ZINC000453194574 394201520 /nfs/dbraw/zinc/20/15/20/394201520.db2.gz NXIBQYCSWIUFJG-OUCADQQQSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cs1 ZINC000453194574 394201521 /nfs/dbraw/zinc/20/15/21/394201521.db2.gz NXIBQYCSWIUFJG-OUCADQQQSA-N 2 2 252.427 3.190 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667494245 542877586 /nfs/dbraw/zinc/87/75/86/542877586.db2.gz SNONYWNIHYKUGV-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2F)CC1 ZINC000667494245 542877590 /nfs/dbraw/zinc/87/75/90/542877590.db2.gz SNONYWNIHYKUGV-UHFFFAOYSA-N 2 2 286.341 3.020 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1C ZINC000667503254 542879852 /nfs/dbraw/zinc/87/98/52/542879852.db2.gz FWLFMQBUSPWBKD-UHFFFAOYSA-N 2 2 257.381 3.059 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1C ZINC000667503254 542879854 /nfs/dbraw/zinc/87/98/54/542879854.db2.gz FWLFMQBUSPWBKD-UHFFFAOYSA-N 2 2 257.381 3.059 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000667569349 542891734 /nfs/dbraw/zinc/89/17/34/542891734.db2.gz IJQNIQLUBAFVMS-KRWDZBQOSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000667569349 542891736 /nfs/dbraw/zinc/89/17/36/542891736.db2.gz IJQNIQLUBAFVMS-KRWDZBQOSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667571155 542892181 /nfs/dbraw/zinc/89/21/81/542892181.db2.gz OANOJJXUOQSHFV-HNNXBMFYSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667571155 542892186 /nfs/dbraw/zinc/89/21/86/542892186.db2.gz OANOJJXUOQSHFV-HNNXBMFYSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)n1C ZINC000667648079 542903616 /nfs/dbraw/zinc/90/36/16/542903616.db2.gz LFKOUXZWJGBBNV-CJNGLKHVSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)n1C ZINC000667648079 542903620 /nfs/dbraw/zinc/90/36/20/542903620.db2.gz LFKOUXZWJGBBNV-CJNGLKHVSA-N 2 2 269.392 3.107 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000667664512 542910365 /nfs/dbraw/zinc/91/03/65/542910365.db2.gz MUHGCWPNISZKMB-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000667664512 542910367 /nfs/dbraw/zinc/91/03/67/542910367.db2.gz MUHGCWPNISZKMB-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1c1ccccc1 ZINC000667690015 542916664 /nfs/dbraw/zinc/91/66/64/542916664.db2.gz MSOBDFOOUGMEMA-CXAGYDPISA-N 2 2 267.376 3.022 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1c1ccccc1 ZINC000667690015 542916666 /nfs/dbraw/zinc/91/66/66/542916666.db2.gz MSOBDFOOUGMEMA-CXAGYDPISA-N 2 2 267.376 3.022 20 0 CGADLP CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691979 542918326 /nfs/dbraw/zinc/91/83/26/542918326.db2.gz UVFRMIJPGJXHDY-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691979 542918328 /nfs/dbraw/zinc/91/83/28/542918328.db2.gz UVFRMIJPGJXHDY-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667995690 542955164 /nfs/dbraw/zinc/95/51/64/542955164.db2.gz SRUDDWOOIKHZQN-MRXNPFEDSA-N 2 2 281.403 3.166 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667995690 542955166 /nfs/dbraw/zinc/95/51/66/542955166.db2.gz SRUDDWOOIKHZQN-MRXNPFEDSA-N 2 2 281.403 3.166 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H](c3ccccc3)C1)CCC2 ZINC000668190079 542984792 /nfs/dbraw/zinc/98/47/92/542984792.db2.gz YZOPAWIJUMWMRZ-MRXNPFEDSA-N 2 2 281.403 3.209 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H](c3ccccc3)C1)CCC2 ZINC000668190079 542984795 /nfs/dbraw/zinc/98/47/95/542984795.db2.gz YZOPAWIJUMWMRZ-MRXNPFEDSA-N 2 2 281.403 3.209 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000668432146 543012645 /nfs/dbraw/zinc/01/26/45/543012645.db2.gz MYUIJYGFVFGKAM-MCIONIFRSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000668432146 543012646 /nfs/dbraw/zinc/01/26/46/543012646.db2.gz MYUIJYGFVFGKAM-MCIONIFRSA-N 2 2 284.513 3.369 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154471 543142302 /nfs/dbraw/zinc/14/23/02/543142302.db2.gz BBWONVRXXSQSIG-FCLVOEFKSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154471 543142303 /nfs/dbraw/zinc/14/23/03/543142303.db2.gz BBWONVRXXSQSIG-FCLVOEFKSA-N 2 2 284.447 3.253 20 0 CGADLP CCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000671195052 543162362 /nfs/dbraw/zinc/16/23/62/543162362.db2.gz XKFAIJYUGDRIPV-UHFFFAOYSA-N 2 2 275.421 3.133 20 0 CGADLP CC(C)c1cc(N[C@H]2CCc3c[nH+]cn3C2)nc(C(C)C)[nH+]1 ZINC000672324849 543209073 /nfs/dbraw/zinc/20/90/73/543209073.db2.gz NSZCCZJLHPFULC-ZDUSSCGKSA-N 2 2 299.422 3.347 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000387935255 397690320 /nfs/dbraw/zinc/69/03/20/397690320.db2.gz CIIPKIAUDBOTDF-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000387935255 397690322 /nfs/dbraw/zinc/69/03/22/397690322.db2.gz CIIPKIAUDBOTDF-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c(C)s1 ZINC000650753721 397909230 /nfs/dbraw/zinc/90/92/30/397909230.db2.gz UBYJVIKLGNLPME-VIFPVBQESA-N 2 2 293.411 3.209 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912874 543307178 /nfs/dbraw/zinc/30/71/78/543307178.db2.gz RQGUVGAIDDKLTH-RNCFNFMXSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912874 543307180 /nfs/dbraw/zinc/30/71/80/543307180.db2.gz RQGUVGAIDDKLTH-RNCFNFMXSA-N 2 2 273.207 3.033 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499010 543344800 /nfs/dbraw/zinc/34/48/00/543344800.db2.gz ZAEDEDVWLDANGJ-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499010 543344802 /nfs/dbraw/zinc/34/48/02/543344802.db2.gz ZAEDEDVWLDANGJ-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499010 543344805 /nfs/dbraw/zinc/34/48/05/543344805.db2.gz ZAEDEDVWLDANGJ-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000675499010 543344807 /nfs/dbraw/zinc/34/48/07/543344807.db2.gz ZAEDEDVWLDANGJ-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675766651 543362700 /nfs/dbraw/zinc/36/27/00/543362700.db2.gz NECSXIPJFSKPBI-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675766651 543362702 /nfs/dbraw/zinc/36/27/02/543362702.db2.gz NECSXIPJFSKPBI-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768047 543363109 /nfs/dbraw/zinc/36/31/09/543363109.db2.gz WGBPKUSPNKEWEQ-OKZBNKHCSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675768047 543363110 /nfs/dbraw/zinc/36/31/10/543363110.db2.gz WGBPKUSPNKEWEQ-OKZBNKHCSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000675728556 543358199 /nfs/dbraw/zinc/35/81/99/543358199.db2.gz JINAZUMKRNEPKA-JKSUJKDBSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678235217 543498545 /nfs/dbraw/zinc/49/85/45/543498545.db2.gz PNKLIWOHYXWNBT-IIAWOOMASA-N 2 2 285.391 3.437 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678235217 543498549 /nfs/dbraw/zinc/49/85/49/543498549.db2.gz PNKLIWOHYXWNBT-IIAWOOMASA-N 2 2 285.391 3.437 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)c[nH+]1 ZINC000678235894 543498909 /nfs/dbraw/zinc/49/89/09/543498909.db2.gz ZGQPLODGKAIDSF-HNNXBMFYSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3coc4ccccc34)C2)c[nH+]1 ZINC000678235894 543498910 /nfs/dbraw/zinc/49/89/10/543498910.db2.gz ZGQPLODGKAIDSF-HNNXBMFYSA-N 2 2 281.359 3.466 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3[nH+]ccn31)CC2 ZINC000678303119 543512535 /nfs/dbraw/zinc/51/25/35/543512535.db2.gz ORJAXIZJWNPPRF-KRWDZBQOSA-N 2 2 277.371 3.420 20 0 CGADLP COCCCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426742210 292316266 /nfs/dbraw/zinc/31/62/66/292316266.db2.gz IVBSEJIUOSJKCG-UHFFFAOYSA-N 2 2 284.488 3.390 20 0 CGADLP COCCCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426742210 292316268 /nfs/dbraw/zinc/31/62/68/292316268.db2.gz IVBSEJIUOSJKCG-UHFFFAOYSA-N 2 2 284.488 3.390 20 0 CGADLP CC(C)COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000066117439 286969189 /nfs/dbraw/zinc/96/91/89/286969189.db2.gz FMTSFYMYDXTGOM-UHFFFAOYSA-N 2 2 287.407 3.098 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000070456371 286989427 /nfs/dbraw/zinc/98/94/27/286989427.db2.gz QWYFUZTVZGWDJI-CYBMUJFWSA-N 2 2 276.428 3.135 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000353245991 287035362 /nfs/dbraw/zinc/03/53/62/287035362.db2.gz DDMOKVSDIKLTSG-NWDGAFQWSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000353245991 287035364 /nfs/dbraw/zinc/03/53/64/287035364.db2.gz DDMOKVSDIKLTSG-NWDGAFQWSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000078908489 287052467 /nfs/dbraw/zinc/05/24/67/287052467.db2.gz NGSKZKGZRBGIJX-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081635029 287075475 /nfs/dbraw/zinc/07/54/75/287075475.db2.gz ZEXIFSBEMQKBJH-HYVNUMGLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000072742622 165072543 /nfs/dbraw/zinc/07/25/43/165072543.db2.gz XXLUKNFRMVVMDI-ZDUSSCGKSA-N 2 2 278.359 3.323 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000084983563 165174952 /nfs/dbraw/zinc/17/49/52/165174952.db2.gz CULSWCOLFDLBLO-VYDXJSESSA-N 2 2 287.451 3.465 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000091669104 165264798 /nfs/dbraw/zinc/26/47/98/165264798.db2.gz UARYBIFVAPSZMR-UHFFFAOYSA-N 2 2 284.403 3.473 20 0 CGADLP CC(C)CCn1cccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091672340 165264808 /nfs/dbraw/zinc/26/48/08/165264808.db2.gz RULFXNDZPUBBIZ-UHFFFAOYSA-N 2 2 277.456 3.060 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000091262841 287107222 /nfs/dbraw/zinc/10/72/22/287107222.db2.gz RFQRROUKKWPZSW-LBPRGKRZSA-N 2 2 268.832 3.201 20 0 CGADLP c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016522 165320010 /nfs/dbraw/zinc/32/00/10/165320010.db2.gz LYMGPFDWTZTMFB-MRXNPFEDSA-N 2 2 276.424 3.368 20 0 CGADLP c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016522 165320014 /nfs/dbraw/zinc/32/00/14/165320014.db2.gz LYMGPFDWTZTMFB-MRXNPFEDSA-N 2 2 276.424 3.368 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874508 165338705 /nfs/dbraw/zinc/33/87/05/165338705.db2.gz YJWCKCBSQXNSIT-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874508 165338709 /nfs/dbraw/zinc/33/87/09/165338709.db2.gz YJWCKCBSQXNSIT-UHFFFAOYSA-N 2 2 293.436 3.128 20 0 CGADLP CCC[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000094522115 165352212 /nfs/dbraw/zinc/35/22/12/165352212.db2.gz GCCXHJHNPZHBQB-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000094522115 165352215 /nfs/dbraw/zinc/35/22/15/165352215.db2.gz GCCXHJHNPZHBQB-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC1(C)C ZINC000284235067 196009519 /nfs/dbraw/zinc/00/95/19/196009519.db2.gz HXOOZWNJAMACRS-OAHLLOKOSA-N 2 2 257.381 3.123 20 0 CGADLP COc1ccc2cc(C[NH2+]CC[NH+]3CCCC3)ccc2c1 ZINC000020126711 171010960 /nfs/dbraw/zinc/01/09/60/171010960.db2.gz CNSXTDZGYUISNA-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126927 171011765 /nfs/dbraw/zinc/01/17/65/171011765.db2.gz ALMZBPXFLIGRQG-HNNXBMFYSA-N 2 2 276.424 3.222 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128741 171016656 /nfs/dbraw/zinc/01/66/56/171016656.db2.gz PYALZBIPQQHZGW-HOCLYGCPSA-N 2 2 276.424 3.369 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000020189706 171055357 /nfs/dbraw/zinc/05/53/57/171055357.db2.gz YBNPUXBJCXEMFP-CYBMUJFWSA-N 2 2 264.388 3.351 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506184 171228121 /nfs/dbraw/zinc/22/81/21/171228121.db2.gz NPPJFLSVBSWGIZ-HNNXBMFYSA-N 2 2 287.407 3.411 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)s1 ZINC000020506079 171228241 /nfs/dbraw/zinc/22/82/41/171228241.db2.gz AEEMYDRXXNCICR-LBPRGKRZSA-N 2 2 263.410 3.302 20 0 CGADLP CCCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000020560441 171251355 /nfs/dbraw/zinc/25/13/55/171251355.db2.gz WRPLBUMNFSFPFK-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC)CC1 ZINC000020560441 171251356 /nfs/dbraw/zinc/25/13/56/171251356.db2.gz WRPLBUMNFSFPFK-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000021510707 171309953 /nfs/dbraw/zinc/30/99/53/171309953.db2.gz WVGGIEWCJNNRDX-KRWDZBQOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000035275022 172095113 /nfs/dbraw/zinc/09/51/13/172095113.db2.gz FFGAABZFDVOIGO-NSHDSACASA-N 2 2 283.297 3.080 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633992 196351694 /nfs/dbraw/zinc/35/16/94/196351694.db2.gz RJRXUHCAZQXINV-HOTGVXAUSA-N 2 2 296.842 3.101 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000285633992 196351695 /nfs/dbraw/zinc/35/16/95/196351695.db2.gz RJRXUHCAZQXINV-HOTGVXAUSA-N 2 2 296.842 3.101 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037213919 173034302 /nfs/dbraw/zinc/03/43/02/173034302.db2.gz HRRWYGIRLRYLBF-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037213919 173034304 /nfs/dbraw/zinc/03/43/04/173034304.db2.gz HRRWYGIRLRYLBF-IAGOWNOFSA-N 2 2 260.425 3.458 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249474 173062338 /nfs/dbraw/zinc/06/23/38/173062338.db2.gz IZVDDVMNAHIMKW-INIZCTEOSA-N 2 2 273.355 3.153 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2cccc(Cl)c2)C1)[NH+](C)C ZINC000038087774 174100946 /nfs/dbraw/zinc/10/09/46/174100946.db2.gz SLWMXYPAWBEEOP-NUYPLMSZSA-N 2 2 266.816 3.126 20 0 CGADLP C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127456517 287288211 /nfs/dbraw/zinc/28/82/11/287288211.db2.gz NAPGYOUDCNIPQO-OAHLLOKOSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127456517 287288213 /nfs/dbraw/zinc/28/82/13/287288213.db2.gz NAPGYOUDCNIPQO-OAHLLOKOSA-N 2 2 292.386 3.460 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000040591784 174347808 /nfs/dbraw/zinc/34/78/08/174347808.db2.gz SHDUKSFJLNKLGX-CYBMUJFWSA-N 2 2 286.341 3.137 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000040591784 174347809 /nfs/dbraw/zinc/34/78/09/174347809.db2.gz SHDUKSFJLNKLGX-CYBMUJFWSA-N 2 2 286.341 3.137 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000041119158 174485283 /nfs/dbraw/zinc/48/52/83/174485283.db2.gz ZWSNWDWGSNWNQD-AWEZNQCLSA-N 2 2 263.772 3.277 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000128141356 287304478 /nfs/dbraw/zinc/30/44/78/287304478.db2.gz JUZWOPNBABFEMB-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000128141356 287304480 /nfs/dbraw/zinc/30/44/80/287304480.db2.gz JUZWOPNBABFEMB-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP Cc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000058003253 175605096 /nfs/dbraw/zinc/60/50/96/175605096.db2.gz DTDMXLYQFKLOLL-ZDUSSCGKSA-N 2 2 276.428 3.052 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000680329148 543697377 /nfs/dbraw/zinc/69/73/77/543697377.db2.gz LUAWIDWFMVBNSN-CYBMUJFWSA-N 2 2 290.436 3.300 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000680329148 543697379 /nfs/dbraw/zinc/69/73/79/543697379.db2.gz LUAWIDWFMVBNSN-CYBMUJFWSA-N 2 2 290.436 3.300 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680326741 543697615 /nfs/dbraw/zinc/69/76/15/543697615.db2.gz ICYSZGFRPXWXQG-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680326741 543697617 /nfs/dbraw/zinc/69/76/17/543697617.db2.gz ICYSZGFRPXWXQG-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681366945 543783880 /nfs/dbraw/zinc/78/38/80/543783880.db2.gz ITRNCSOGLGYUKR-BHYGNILZSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681366945 543783884 /nfs/dbraw/zinc/78/38/84/543783884.db2.gz ITRNCSOGLGYUKR-BHYGNILZSA-N 2 2 262.441 3.053 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681482999 543789899 /nfs/dbraw/zinc/78/98/99/543789899.db2.gz HPJXYDRIDQCZRH-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681482999 543789902 /nfs/dbraw/zinc/78/99/02/543789902.db2.gz HPJXYDRIDQCZRH-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681482998 543790228 /nfs/dbraw/zinc/79/02/28/543790228.db2.gz HPJXYDRIDQCZRH-SJLPKXTDSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681482998 543790230 /nfs/dbraw/zinc/79/02/30/543790230.db2.gz HPJXYDRIDQCZRH-SJLPKXTDSA-N 2 2 283.419 3.399 20 0 CGADLP Cc1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)o1 ZINC000682027833 543816700 /nfs/dbraw/zinc/81/67/00/543816700.db2.gz JRIXLDWOCNSZHM-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP Cc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)o1 ZINC000682027833 543816703 /nfs/dbraw/zinc/81/67/03/543816703.db2.gz JRIXLDWOCNSZHM-UHFFFAOYSA-N 2 2 276.424 3.428 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682083618 543824681 /nfs/dbraw/zinc/82/46/81/543824681.db2.gz KARWMUKVMAZCSW-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682083618 543824683 /nfs/dbraw/zinc/82/46/83/543824683.db2.gz KARWMUKVMAZCSW-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675299 543801414 /nfs/dbraw/zinc/80/14/14/543801414.db2.gz KNYZSHJDWMBNBS-HOCLYGCPSA-N 2 2 267.376 3.277 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675299 543801417 /nfs/dbraw/zinc/80/14/17/543801417.db2.gz KNYZSHJDWMBNBS-HOCLYGCPSA-N 2 2 267.376 3.277 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000682407102 543842089 /nfs/dbraw/zinc/84/20/89/543842089.db2.gz WZKYFSHXMICTHV-KBXCAEBGSA-N 2 2 284.403 3.173 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734147 543863770 /nfs/dbraw/zinc/86/37/70/543863770.db2.gz YSEUIBNMJBFQKA-CHWSQXEVSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734147 543863773 /nfs/dbraw/zinc/86/37/73/543863773.db2.gz YSEUIBNMJBFQKA-CHWSQXEVSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733663 543863791 /nfs/dbraw/zinc/86/37/91/543863791.db2.gz ZQQMIQRZLWSXQZ-DOMZBBRYSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733663 543863794 /nfs/dbraw/zinc/86/37/94/543863794.db2.gz ZQQMIQRZLWSXQZ-DOMZBBRYSA-N 2 2 286.410 3.274 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000682731771 543862803 /nfs/dbraw/zinc/86/28/03/543862803.db2.gz HYAMDKIBGHTBHC-DYVFJYSZSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000682731771 543862804 /nfs/dbraw/zinc/86/28/04/543862804.db2.gz HYAMDKIBGHTBHC-DYVFJYSZSA-N 2 2 288.435 3.101 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683521175 543919422 /nfs/dbraw/zinc/91/94/22/543919422.db2.gz FRQQLDHDADQQKJ-GOSISDBHSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683521175 543919423 /nfs/dbraw/zinc/91/94/23/543919423.db2.gz FRQQLDHDADQQKJ-GOSISDBHSA-N 2 2 274.452 3.254 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685410088 544064735 /nfs/dbraw/zinc/06/47/35/544064735.db2.gz CDUYNUKDEKYSCK-PLNGDYQASA-N 2 2 294.389 3.394 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685410088 544064737 /nfs/dbraw/zinc/06/47/37/544064737.db2.gz CDUYNUKDEKYSCK-PLNGDYQASA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685452244 544073106 /nfs/dbraw/zinc/07/31/06/544073106.db2.gz DCUURPNGOUAVCC-UHFFFAOYSA-N 2 2 291.826 3.272 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685452244 544073109 /nfs/dbraw/zinc/07/31/09/544073109.db2.gz DCUURPNGOUAVCC-UHFFFAOYSA-N 2 2 291.826 3.272 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827757 419011557 /nfs/dbraw/zinc/01/15/57/419011557.db2.gz QAQLDKNLLCVISH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827757 419011562 /nfs/dbraw/zinc/01/15/62/419011562.db2.gz QAQLDKNLLCVISH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827757 419011563 /nfs/dbraw/zinc/01/15/63/419011563.db2.gz QAQLDKNLLCVISH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827757 419011567 /nfs/dbraw/zinc/01/15/67/419011567.db2.gz QAQLDKNLLCVISH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655750869 419087028 /nfs/dbraw/zinc/08/70/28/419087028.db2.gz CJMBGVDDJSCYES-HNNXBMFYSA-N 2 2 284.407 3.200 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258619 419095200 /nfs/dbraw/zinc/09/52/00/419095200.db2.gz GOPCADBOHILXHU-BZUAXINKSA-N 2 2 276.399 3.049 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000655774860 419095265 /nfs/dbraw/zinc/09/52/65/419095265.db2.gz KJINZIYTWOVOHW-MUQADHOPSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000665275830 419099726 /nfs/dbraw/zinc/09/97/26/419099726.db2.gz SQOUMZAFYBNOQU-UKRRQHHQSA-N 2 2 282.378 3.194 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)ccc2c1 ZINC000665277282 419100134 /nfs/dbraw/zinc/10/01/34/419100134.db2.gz YHFVJCWVVLVRBK-CDJWAVJASA-N 2 2 296.414 3.251 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc2cc(OC)ccc2c1 ZINC000665294321 419106284 /nfs/dbraw/zinc/10/62/84/419106284.db2.gz MNNVSSAZLYVJQW-SCLBCKFNSA-N 2 2 286.419 3.497 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000665298426 419111265 /nfs/dbraw/zinc/11/12/65/419111265.db2.gz VWWIIWGJFYSPKP-KSSFIOAISA-N 2 2 286.394 3.307 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848417 419118070 /nfs/dbraw/zinc/11/80/70/419118070.db2.gz FCTHZAZGEFDOGA-QAETUUGQSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848417 419118075 /nfs/dbraw/zinc/11/80/75/419118075.db2.gz FCTHZAZGEFDOGA-QAETUUGQSA-N 2 2 262.441 3.172 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848364 419118466 /nfs/dbraw/zinc/11/84/66/419118466.db2.gz IDIFACRSZAYOON-KSZLIROESA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848364 419118468 /nfs/dbraw/zinc/11/84/68/419118468.db2.gz IDIFACRSZAYOON-KSZLIROESA-N 2 2 270.420 3.280 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847440 419119110 /nfs/dbraw/zinc/11/91/10/419119110.db2.gz BNIGEALPVHSEGG-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847440 419119114 /nfs/dbraw/zinc/11/91/14/419119114.db2.gz BNIGEALPVHSEGG-OKZBNKHCSA-N 2 2 288.410 3.420 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](OC)C1CCCCC1 ZINC000659995116 419055974 /nfs/dbraw/zinc/05/59/74/419055974.db2.gz RMHFURWEMSGXTQ-FGTMMUONSA-N 2 2 294.483 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](OC)C1CCCCC1 ZINC000659995116 419055976 /nfs/dbraw/zinc/05/59/76/419055976.db2.gz RMHFURWEMSGXTQ-FGTMMUONSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](OC)C1CCCCC1 ZINC000659995116 419055979 /nfs/dbraw/zinc/05/59/79/419055979.db2.gz RMHFURWEMSGXTQ-FGTMMUONSA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](OC)C1CCCCC1 ZINC000659995116 419055981 /nfs/dbraw/zinc/05/59/81/419055981.db2.gz RMHFURWEMSGXTQ-FGTMMUONSA-N 2 2 294.483 3.140 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590612 419056438 /nfs/dbraw/zinc/05/64/38/419056438.db2.gz OHJOARODCFJIOL-CABCVRRESA-N 2 2 263.429 3.426 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590612 419056443 /nfs/dbraw/zinc/05/64/43/419056443.db2.gz OHJOARODCFJIOL-CABCVRRESA-N 2 2 263.429 3.426 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2Cl)C1 ZINC000659989632 419057213 /nfs/dbraw/zinc/05/72/13/419057213.db2.gz PXIYTKGVJMMUJS-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2Cl)C1 ZINC000659989632 419057217 /nfs/dbraw/zinc/05/72/17/419057217.db2.gz PXIYTKGVJMMUJS-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659989632 419057221 /nfs/dbraw/zinc/05/72/21/419057221.db2.gz PXIYTKGVJMMUJS-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659989632 419057225 /nfs/dbraw/zinc/05/72/25/419057225.db2.gz PXIYTKGVJMMUJS-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068489 419070731 /nfs/dbraw/zinc/07/07/31/419070731.db2.gz JGDCMZCEKQFWHP-IRXDYDNUSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068489 419070736 /nfs/dbraw/zinc/07/07/36/419070736.db2.gz JGDCMZCEKQFWHP-IRXDYDNUSA-N 2 2 282.472 3.044 20 0 CGADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655855441 419123946 /nfs/dbraw/zinc/12/39/46/419123946.db2.gz DOSSFJMHNAMENH-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655855441 419123950 /nfs/dbraw/zinc/12/39/50/419123950.db2.gz DOSSFJMHNAMENH-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000660110311 419078275 /nfs/dbraw/zinc/07/82/75/419078275.db2.gz AKNUIWITQDRESI-DZOHQFGASA-N 2 2 281.403 3.322 20 0 CGADLP C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000660110311 419078278 /nfs/dbraw/zinc/07/82/78/419078278.db2.gz AKNUIWITQDRESI-DZOHQFGASA-N 2 2 281.403 3.322 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000656438594 419169632 /nfs/dbraw/zinc/16/96/32/419169632.db2.gz SVONRUMCEIMSMO-QGZVFWFLSA-N 2 2 299.418 3.198 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000656438594 419169635 /nfs/dbraw/zinc/16/96/35/419169635.db2.gz SVONRUMCEIMSMO-QGZVFWFLSA-N 2 2 299.418 3.198 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1Cl)C2 ZINC000660653553 419176771 /nfs/dbraw/zinc/17/67/71/419176771.db2.gz SYAGTAGEYNQRJH-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1Cl)C2 ZINC000660653553 419176772 /nfs/dbraw/zinc/17/67/72/419176772.db2.gz SYAGTAGEYNQRJH-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1Cl)C2 ZINC000660653553 419176774 /nfs/dbraw/zinc/17/67/74/419176774.db2.gz SYAGTAGEYNQRJH-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1Cl)C2 ZINC000660653553 419176777 /nfs/dbraw/zinc/17/67/77/419176777.db2.gz SYAGTAGEYNQRJH-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654116 419177913 /nfs/dbraw/zinc/17/79/13/419177913.db2.gz CZMNJLKGJRORLX-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654116 419177916 /nfs/dbraw/zinc/17/79/16/419177916.db2.gz CZMNJLKGJRORLX-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654116 419177919 /nfs/dbraw/zinc/17/79/19/419177919.db2.gz CZMNJLKGJRORLX-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654116 419177920 /nfs/dbraw/zinc/17/79/20/419177920.db2.gz CZMNJLKGJRORLX-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC(C)(C)c2ccccc2)n1C ZINC000657328582 419251813 /nfs/dbraw/zinc/25/18/13/419251813.db2.gz ALEJEBODDCCUFU-UHFFFAOYSA-N 2 2 271.408 3.186 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360274 419259602 /nfs/dbraw/zinc/25/96/02/419259602.db2.gz AQVDQLCLWCLBCJ-BMFZPTHFSA-N 2 2 275.440 3.380 20 0 CGADLP c1coc([C@@H]2[N@H+](CCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661437819 419260979 /nfs/dbraw/zinc/26/09/79/419260979.db2.gz PKAZFMDQXIEGQA-HNNXBMFYSA-N 2 2 271.364 3.093 20 0 CGADLP c1coc([C@@H]2[N@@H+](CCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661437819 419260982 /nfs/dbraw/zinc/26/09/82/419260982.db2.gz PKAZFMDQXIEGQA-HNNXBMFYSA-N 2 2 271.364 3.093 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](CC1CC1)c1ccccc1)CCC2 ZINC000657376792 419264687 /nfs/dbraw/zinc/26/46/87/419264687.db2.gz OHXPJZRMEFXIDX-KRWDZBQOSA-N 2 2 281.403 3.460 20 0 CGADLP CCCCOc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656781947 419218661 /nfs/dbraw/zinc/21/86/61/419218661.db2.gz ANSMLLSYUXSOJI-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCOc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656781947 419218663 /nfs/dbraw/zinc/21/86/63/419218663.db2.gz ANSMLLSYUXSOJI-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(Cl)c2Cl)CCCC1 ZINC000656789077 419221218 /nfs/dbraw/zinc/22/12/18/419221218.db2.gz IJGUNOBEYLFBOK-UHFFFAOYSA-N 2 2 279.236 3.416 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512634 419268361 /nfs/dbraw/zinc/26/83/61/419268361.db2.gz LLFBHDPMZUYLFD-MRXNPFEDSA-N 2 2 264.388 3.304 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661512634 419268363 /nfs/dbraw/zinc/26/83/63/419268363.db2.gz LLFBHDPMZUYLFD-MRXNPFEDSA-N 2 2 264.388 3.304 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231448 419241433 /nfs/dbraw/zinc/24/14/33/419241433.db2.gz NOHWNWZYAGXCOI-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP c1cn(CCC[N@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231448 419241435 /nfs/dbraw/zinc/24/14/35/419241435.db2.gz NOHWNWZYAGXCOI-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(Cl)c1 ZINC000657286364 419242693 /nfs/dbraw/zinc/24/26/93/419242693.db2.gz LSAXSTXHEJKMRS-UHFFFAOYSA-N 2 2 296.201 3.426 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657445994 419280350 /nfs/dbraw/zinc/28/03/50/419280350.db2.gz DLNUDDBNSJQBDB-JTQLQIEISA-N 2 2 275.318 3.040 20 0 CGADLP Cc1sccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526147 419297390 /nfs/dbraw/zinc/29/73/90/419297390.db2.gz BAYBECPNNGKTJA-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1sccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526147 419297393 /nfs/dbraw/zinc/29/73/93/419297393.db2.gz BAYBECPNNGKTJA-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000657525574 419297743 /nfs/dbraw/zinc/29/77/43/419297743.db2.gz STCPQCFWQDRQON-BSDKJSHOSA-N 2 2 258.409 3.162 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000657525574 419297745 /nfs/dbraw/zinc/29/77/45/419297745.db2.gz STCPQCFWQDRQON-BSDKJSHOSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@@H+]1Cc1ccccc1 ZINC000657645331 419318063 /nfs/dbraw/zinc/31/80/63/419318063.db2.gz SAMPUCMVZHLICG-ZBFHGGJFSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@H+]1Cc1ccccc1 ZINC000657645331 419318066 /nfs/dbraw/zinc/31/80/66/419318066.db2.gz SAMPUCMVZHLICG-ZBFHGGJFSA-N 2 2 278.415 3.377 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC2CCC2)CC1 ZINC000418096162 228021856 /nfs/dbraw/zinc/02/18/56/228021856.db2.gz UURGGWOZJLDZEL-UHFFFAOYSA-N 2 2 288.435 3.356 20 0 CGADLP C[C@@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(F)F ZINC000657671379 419325968 /nfs/dbraw/zinc/32/59/68/419325968.db2.gz UFUSPLHHZPZXIR-CYBMUJFWSA-N 2 2 297.374 3.459 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657752182 419337094 /nfs/dbraw/zinc/33/70/94/419337094.db2.gz MUVOJVVDUTZHED-RDJZCZTQSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657797780 419357581 /nfs/dbraw/zinc/35/75/81/419357581.db2.gz MSCHGBMQBXMJDK-KRWDZBQOSA-N 2 2 281.403 3.305 20 0 CGADLP CCOc1ccc(NCc2c[nH+]cn2C(C)C)[nH+]c1C ZINC000657797399 419357990 /nfs/dbraw/zinc/35/79/90/419357990.db2.gz ZSVKUQXYPPGUHT-UHFFFAOYSA-N 2 2 274.368 3.178 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887177 419406524 /nfs/dbraw/zinc/40/65/24/419406524.db2.gz FMMKYPCHJAAWCS-MDZLAQPJSA-N 2 2 283.366 3.153 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887177 419406531 /nfs/dbraw/zinc/40/65/31/419406531.db2.gz FMMKYPCHJAAWCS-MDZLAQPJSA-N 2 2 283.366 3.153 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185674405 287552197 /nfs/dbraw/zinc/55/21/97/287552197.db2.gz FUHPBHDFFZEAFN-YJBOKZPZSA-N 2 2 283.419 3.171 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995472 419485704 /nfs/dbraw/zinc/48/57/04/419485704.db2.gz HFDNAMIDZZPCQS-VXGBXAGGSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995472 419485713 /nfs/dbraw/zinc/48/57/13/419485713.db2.gz HFDNAMIDZZPCQS-VXGBXAGGSA-N 2 2 276.415 3.376 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC34CC4)[nH+]c12 ZINC000657901562 419428374 /nfs/dbraw/zinc/42/83/74/419428374.db2.gz ZNAUWUIGIKHZON-OAHLLOKOSA-N 2 2 269.392 3.108 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056775 419525097 /nfs/dbraw/zinc/52/50/97/419525097.db2.gz LXLAZKCVOCODAO-XJKSGUPXSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056775 419525103 /nfs/dbraw/zinc/52/51/03/419525103.db2.gz LXLAZKCVOCODAO-XJKSGUPXSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658056781 419525557 /nfs/dbraw/zinc/52/55/57/419525557.db2.gz LYENHHMFJXDSTD-ZBFHGGJFSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658056781 419525559 /nfs/dbraw/zinc/52/55/59/419525559.db2.gz LYENHHMFJXDSTD-ZBFHGGJFSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000658058483 419528451 /nfs/dbraw/zinc/52/84/51/419528451.db2.gz DMPNJZWUJGXRPL-OCCSQVGLSA-N 2 2 262.397 3.119 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000658058483 419528456 /nfs/dbraw/zinc/52/84/56/419528456.db2.gz DMPNJZWUJGXRPL-OCCSQVGLSA-N 2 2 262.397 3.119 20 0 CGADLP CC(C)n1c2ccccc2[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663258833 419532863 /nfs/dbraw/zinc/53/28/63/419532863.db2.gz QZMSUPISGPMHFH-UHFFFAOYSA-N 2 2 295.390 3.372 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658060408 419533104 /nfs/dbraw/zinc/53/31/04/419533104.db2.gz ZKEFIIOIGFDMMH-QWHCGFSZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658060408 419533112 /nfs/dbraw/zinc/53/31/12/419533112.db2.gz ZKEFIIOIGFDMMH-QWHCGFSZSA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658062998 419536507 /nfs/dbraw/zinc/53/65/07/419536507.db2.gz UTKGRIFSBZAGIM-XJKSGUPXSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000658062998 419536517 /nfs/dbraw/zinc/53/65/17/419536517.db2.gz UTKGRIFSBZAGIM-XJKSGUPXSA-N 2 2 288.435 3.232 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062452 419536668 /nfs/dbraw/zinc/53/66/68/419536668.db2.gz RSXXUJSYZQXEFS-VXGBXAGGSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062452 419536677 /nfs/dbraw/zinc/53/66/77/419536677.db2.gz RSXXUJSYZQXEFS-VXGBXAGGSA-N 2 2 282.453 3.280 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090976 419566305 /nfs/dbraw/zinc/56/63/05/419566305.db2.gz JWCCPOKPEGFJLC-CVEARBPZSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090976 419566311 /nfs/dbraw/zinc/56/63/11/419566311.db2.gz JWCCPOKPEGFJLC-CVEARBPZSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479402 419632214 /nfs/dbraw/zinc/63/22/14/419632214.db2.gz PLQTXWTZBXEXCU-JQWIXIFHSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000663479402 419632221 /nfs/dbraw/zinc/63/22/21/419632221.db2.gz PLQTXWTZBXEXCU-JQWIXIFHSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094322 419570033 /nfs/dbraw/zinc/57/00/33/419570033.db2.gz YHIXXXHMABGTMZ-QWHCGFSZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094322 419570039 /nfs/dbraw/zinc/57/00/39/419570039.db2.gz YHIXXXHMABGTMZ-QWHCGFSZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095616 419572998 /nfs/dbraw/zinc/57/29/98/419572998.db2.gz JSOZFNHPEQVUJA-QWRGUYRKSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C(F)F ZINC000658095616 419573005 /nfs/dbraw/zinc/57/30/05/419573005.db2.gz JSOZFNHPEQVUJA-QWRGUYRKSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095656 419574024 /nfs/dbraw/zinc/57/40/24/419574024.db2.gz JYCHBPOEKMDVFJ-DZGCQCFKSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095656 419574031 /nfs/dbraw/zinc/57/40/31/419574031.db2.gz JYCHBPOEKMDVFJ-DZGCQCFKSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000658097194 419578042 /nfs/dbraw/zinc/57/80/42/419578042.db2.gz VUJNFLMDSQLABP-SOUVJXGZSA-N 2 2 282.472 3.041 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000658097194 419578046 /nfs/dbraw/zinc/57/80/46/419578046.db2.gz VUJNFLMDSQLABP-SOUVJXGZSA-N 2 2 282.472 3.041 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658241113 419696689 /nfs/dbraw/zinc/69/66/89/419696689.db2.gz KGXSZVQJWYQSLB-GJZGRUSLSA-N 2 2 280.481 3.389 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658283886 419728299 /nfs/dbraw/zinc/72/82/99/419728299.db2.gz DOBWOCSWYDLIKO-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658283886 419728310 /nfs/dbraw/zinc/72/83/10/419728310.db2.gz DOBWOCSWYDLIKO-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000658286709 419735259 /nfs/dbraw/zinc/73/52/59/419735259.db2.gz CBTVKXMSWGZCAB-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000658286709 419735269 /nfs/dbraw/zinc/73/52/69/419735269.db2.gz CBTVKXMSWGZCAB-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287958 419738355 /nfs/dbraw/zinc/73/83/55/419738355.db2.gz PILQHZMGEPEVRK-WBVHZDCISA-N 2 2 298.434 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000658287958 419738374 /nfs/dbraw/zinc/73/83/74/419738374.db2.gz PILQHZMGEPEVRK-WBVHZDCISA-N 2 2 298.434 3.007 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+](C)C ZINC000036840566 270028483 /nfs/dbraw/zinc/02/84/83/270028483.db2.gz UVFXPQHUHXYLFS-DAWZGUTISA-N 2 2 274.452 3.499 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037319582 270029205 /nfs/dbraw/zinc/02/92/05/270029205.db2.gz QIKRLLUGWOFKJW-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000042314732 270032000 /nfs/dbraw/zinc/03/20/00/270032000.db2.gz ZKXYPMIJUSCBSW-KRWDZBQOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532767 270035951 /nfs/dbraw/zinc/03/59/51/270035951.db2.gz MMZABOQSTMXRBW-NEPJUHHUSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532767 270035953 /nfs/dbraw/zinc/03/59/53/270035953.db2.gz MMZABOQSTMXRBW-NEPJUHHUSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685538 270037432 /nfs/dbraw/zinc/03/74/32/270037432.db2.gz PLBCLQGGRRNKHE-KSSFIOAISA-N 2 2 284.447 3.453 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685538 270037433 /nfs/dbraw/zinc/03/74/33/270037433.db2.gz PLBCLQGGRRNKHE-KSSFIOAISA-N 2 2 284.447 3.453 20 0 CGADLP Cc1cc(C)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045106451 270038041 /nfs/dbraw/zinc/03/80/41/270038041.db2.gz FWGHMNYYPUKBAV-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCc3ccccc32)c[nH+]1 ZINC000045105608 270038105 /nfs/dbraw/zinc/03/81/05/270038105.db2.gz YGJPKOYABSEAOK-KRWDZBQOSA-N 2 2 269.392 3.331 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(F)c1 ZINC000045106223 270038108 /nfs/dbraw/zinc/03/81/08/270038108.db2.gz HVVRFPFSVRYHFC-CYBMUJFWSA-N 2 2 291.370 3.162 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000250394454 270091442 /nfs/dbraw/zinc/09/14/42/270091442.db2.gz YLPIVZAUKAWSAF-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000250394454 270091443 /nfs/dbraw/zinc/09/14/43/270091443.db2.gz YLPIVZAUKAWSAF-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@H]1C ZINC000321960141 270093389 /nfs/dbraw/zinc/09/33/89/270093389.db2.gz YMMMDZYBFJGSEX-KBMXLJTQSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000526085600 270122642 /nfs/dbraw/zinc/12/26/42/270122642.db2.gz CRCBHACVFAIGFS-UPJWGTAASA-N 2 2 278.362 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000526085600 270122643 /nfs/dbraw/zinc/12/26/43/270122643.db2.gz CRCBHACVFAIGFS-UPJWGTAASA-N 2 2 278.362 3.039 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H](C)C2 ZINC000526108442 270123016 /nfs/dbraw/zinc/12/30/16/270123016.db2.gz WOBZIGHGKCOMPK-RHSMWYFYSA-N 2 2 272.436 3.302 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000527366445 270127764 /nfs/dbraw/zinc/12/77/64/270127764.db2.gz YSODXASJRDTHMX-HNNXBMFYSA-N 2 2 278.415 3.395 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C2CCC2)C2CCC2)n1C ZINC000527736531 270133113 /nfs/dbraw/zinc/13/31/13/270133113.db2.gz RGGYTDIWHVYVIC-UHFFFAOYSA-N 2 2 261.413 3.035 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000527746987 270134089 /nfs/dbraw/zinc/13/40/89/270134089.db2.gz YIHGHAKYAHLKII-UHFFFAOYSA-N 2 2 286.404 3.055 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751677 270134571 /nfs/dbraw/zinc/13/45/71/270134571.db2.gz KIADWSHHOKXZAR-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527751677 270134572 /nfs/dbraw/zinc/13/45/72/270134572.db2.gz KIADWSHHOKXZAR-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527864614 270140463 /nfs/dbraw/zinc/14/04/63/270140463.db2.gz LIOUXPUIIHXZKE-ZNMIVQPWSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527864614 270140464 /nfs/dbraw/zinc/14/04/64/270140464.db2.gz LIOUXPUIIHXZKE-ZNMIVQPWSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527862708 270140624 /nfs/dbraw/zinc/14/06/24/270140624.db2.gz HSILOOBODXJFBT-JQHSSLGASA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC12CC2 ZINC000527862708 270140625 /nfs/dbraw/zinc/14/06/25/270140625.db2.gz HSILOOBODXJFBT-JQHSSLGASA-N 2 2 284.447 3.429 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000527857966 270140183 /nfs/dbraw/zinc/14/01/83/270140183.db2.gz FYDJSMMJLYPBPU-IAGOWNOFSA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000527857966 270140184 /nfs/dbraw/zinc/14/01/84/270140184.db2.gz FYDJSMMJLYPBPU-IAGOWNOFSA-N 2 2 272.436 3.224 20 0 CGADLP C[N@@H+]1CCCC12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000527945541 270146037 /nfs/dbraw/zinc/14/60/37/270146037.db2.gz CMBLKZDBFOHMNT-UHFFFAOYSA-N 2 2 281.403 3.299 20 0 CGADLP C[N@H+]1CCCC12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000527945541 270146038 /nfs/dbraw/zinc/14/60/38/270146038.db2.gz CMBLKZDBFOHMNT-UHFFFAOYSA-N 2 2 281.403 3.299 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946350 270146116 /nfs/dbraw/zinc/14/61/16/270146116.db2.gz IDTJQYABUWKPHB-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527946350 270146117 /nfs/dbraw/zinc/14/61/17/270146117.db2.gz IDTJQYABUWKPHB-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015066 270151377 /nfs/dbraw/zinc/15/13/77/270151377.db2.gz WYMFBZPRXUXUBE-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015066 270151378 /nfs/dbraw/zinc/15/13/78/270151378.db2.gz WYMFBZPRXUXUBE-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528120169 270154782 /nfs/dbraw/zinc/15/47/82/270154782.db2.gz ZNOAQAKINKHYPA-OAHLLOKOSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528120169 270154783 /nfs/dbraw/zinc/15/47/83/270154783.db2.gz ZNOAQAKINKHYPA-OAHLLOKOSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536733 270183325 /nfs/dbraw/zinc/18/33/25/270183325.db2.gz PVCQVVNTFWXGFY-BBRMVZONSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536733 270183326 /nfs/dbraw/zinc/18/33/26/270183326.db2.gz PVCQVVNTFWXGFY-BBRMVZONSA-N 2 2 294.389 3.284 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214235 270195723 /nfs/dbraw/zinc/19/57/23/270195723.db2.gz CNCNJGNGTCBAGS-HZPDHXFCSA-N 2 2 274.383 3.077 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cnc2ccsc2c1 ZINC000530219632 270196152 /nfs/dbraw/zinc/19/61/52/270196152.db2.gz MDJOHYRJWODKHI-IAQYHMDHSA-N 2 2 287.432 3.232 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530218958 270196217 /nfs/dbraw/zinc/19/62/17/270196217.db2.gz KGFZBNVWZLZXQN-NVXWUHKLSA-N 2 2 286.419 3.083 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530224214 270196627 /nfs/dbraw/zinc/19/66/27/270196627.db2.gz VMCHGVORFUVJFM-BXUZGUMPSA-N 2 2 296.361 3.223 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)F)c1 ZINC000530222095 270196629 /nfs/dbraw/zinc/19/66/29/270196629.db2.gz QFIISIGCSXAJCC-RISCZKNCSA-N 2 2 296.361 3.223 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)F)c1 ZINC000530222093 270196644 /nfs/dbraw/zinc/19/66/44/270196644.db2.gz QFIISIGCSXAJCC-FZMZJTMJSA-N 2 2 296.361 3.223 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684603 270208427 /nfs/dbraw/zinc/20/84/27/270208427.db2.gz KSLNLUBZNOOHEM-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP c1nc(C2CC2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000531884496 270210414 /nfs/dbraw/zinc/21/04/14/270210414.db2.gz UXJKGMIZTHQEMR-UHFFFAOYSA-N 2 2 291.464 3.127 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984539 270212350 /nfs/dbraw/zinc/21/23/50/270212350.db2.gz KCXMKWFLJNENMY-DOTOQJQBSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984539 270212351 /nfs/dbraw/zinc/21/23/51/270212351.db2.gz KCXMKWFLJNENMY-DOTOQJQBSA-N 2 2 288.435 3.140 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514535 270216656 /nfs/dbraw/zinc/21/66/56/270216656.db2.gz DMSQFVOBLQKJLM-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514535 270216657 /nfs/dbraw/zinc/21/66/57/270216657.db2.gz DMSQFVOBLQKJLM-IIAWOOMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565321 270217333 /nfs/dbraw/zinc/21/73/33/270217333.db2.gz AOGKKOMGFDVTCC-GOEBONIOSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000532565321 270217334 /nfs/dbraw/zinc/21/73/34/270217334.db2.gz AOGKKOMGFDVTCC-GOEBONIOSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]CCc1ccccc1C(F)(F)F ZINC000415078131 273499196 /nfs/dbraw/zinc/49/91/96/273499196.db2.gz ILGCBDGQJBIQIE-UHFFFAOYSA-N 2 2 288.357 3.226 20 0 CGADLP C[C@@H](C[NH2+]CCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000482232745 274224868 /nfs/dbraw/zinc/22/48/68/274224868.db2.gz VETVGPVKYCEHAW-NSHDSACASA-N 2 2 289.250 3.466 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000037140857 274243865 /nfs/dbraw/zinc/24/38/65/274243865.db2.gz LNLCRUWECJQUOF-LLVKDONJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423194321 274313169 /nfs/dbraw/zinc/31/31/69/274313169.db2.gz RFFKDUACEJGKEG-NTZNESFSSA-N 2 2 250.411 3.028 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498467 274912634 /nfs/dbraw/zinc/91/26/34/274912634.db2.gz BEPRVBSYFWNIQF-IPMKNSEASA-N 2 2 296.389 3.158 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000424277427 274956091 /nfs/dbraw/zinc/95/60/91/274956091.db2.gz AIHXCNWKFQSDFP-CHWSQXEVSA-N 2 2 273.207 3.353 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536305 275065605 /nfs/dbraw/zinc/06/56/05/275065605.db2.gz ZLSNXUKKEJYOFX-GVDBMIGSSA-N 2 2 282.387 3.002 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000423245239 275749853 /nfs/dbraw/zinc/74/98/53/275749853.db2.gz OIULGYHJUCMARY-BMGDILEWSA-N 2 2 290.451 3.215 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000345688196 276151766 /nfs/dbraw/zinc/15/17/66/276151766.db2.gz HRDWINQOBFGGLV-CYBMUJFWSA-N 2 2 292.471 3.081 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423142892 276439053 /nfs/dbraw/zinc/43/90/53/276439053.db2.gz BNYKFIGPEFSWBI-ZACQAIPSSA-N 2 2 276.399 3.323 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC=C(C(F)(F)F)CC1 ZINC000339825796 277043613 /nfs/dbraw/zinc/04/36/13/277043613.db2.gz AMIJVRUVVOBZBT-CYBMUJFWSA-N 2 2 276.346 3.055 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(C(F)(F)F)CC1 ZINC000339825796 277043615 /nfs/dbraw/zinc/04/36/15/277043615.db2.gz AMIJVRUVVOBZBT-CYBMUJFWSA-N 2 2 276.346 3.055 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825796 277043617 /nfs/dbraw/zinc/04/36/17/277043617.db2.gz AMIJVRUVVOBZBT-CYBMUJFWSA-N 2 2 276.346 3.055 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339825796 277043620 /nfs/dbraw/zinc/04/36/20/277043620.db2.gz AMIJVRUVVOBZBT-CYBMUJFWSA-N 2 2 276.346 3.055 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586139 277061115 /nfs/dbraw/zinc/06/11/15/277061115.db2.gz YZTOJUDKYVFENE-RHSMWYFYSA-N 2 2 294.389 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586139 277061117 /nfs/dbraw/zinc/06/11/17/277061117.db2.gz YZTOJUDKYVFENE-RHSMWYFYSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586139 277061118 /nfs/dbraw/zinc/06/11/18/277061118.db2.gz YZTOJUDKYVFENE-RHSMWYFYSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338586139 277061119 /nfs/dbraw/zinc/06/11/19/277061119.db2.gz YZTOJUDKYVFENE-RHSMWYFYSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384837 277293942 /nfs/dbraw/zinc/29/39/42/277293942.db2.gz IBBICYGMIGECSH-LRDDRELGSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377802325 277364057 /nfs/dbraw/zinc/36/40/57/277364057.db2.gz INJKVKQNXAGGND-RRFJBIMHSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377802325 277364058 /nfs/dbraw/zinc/36/40/58/277364058.db2.gz INJKVKQNXAGGND-RRFJBIMHSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000474924127 277451919 /nfs/dbraw/zinc/45/19/19/277451919.db2.gz HTUOZBLINCLSQT-JYJNAYRXSA-N 2 2 275.440 3.392 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423273741 277753069 /nfs/dbraw/zinc/75/30/69/277753069.db2.gz KZFYMJPUIMJCAK-DLOVCJGASA-N 2 2 270.467 3.246 20 0 CGADLP COc1cc(C)[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c1 ZINC000298062443 277810458 /nfs/dbraw/zinc/81/04/58/277810458.db2.gz GJSXEZFVIPSOMH-NEPJUHHUSA-N 2 2 285.391 3.014 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000166303363 278028521 /nfs/dbraw/zinc/02/85/21/278028521.db2.gz ZRYCSDUMGJYKAR-BVUBDWEXSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@H+]1C1CC1 ZINC000166303363 278028523 /nfs/dbraw/zinc/02/85/23/278028523.db2.gz ZRYCSDUMGJYKAR-BVUBDWEXSA-N 2 2 262.441 3.170 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccccc1 ZINC000395009303 288004909 /nfs/dbraw/zinc/00/49/09/288004909.db2.gz LAYAVYGLKVTOPQ-CWLKWCNXSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000397234244 288022137 /nfs/dbraw/zinc/02/21/37/288022137.db2.gz AMDAIDWBSKIKLN-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000397234244 288022138 /nfs/dbraw/zinc/02/21/38/288022138.db2.gz AMDAIDWBSKIKLN-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397634781 288025701 /nfs/dbraw/zinc/02/57/01/288025701.db2.gz WRHCXRYSIFCKEU-USXIJHARSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397634781 288025704 /nfs/dbraw/zinc/02/57/04/288025704.db2.gz WRHCXRYSIFCKEU-USXIJHARSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1CCCC[NH+](CC[N@H+]2CCCC[C@H](C)C2)C1 ZINC000481575652 278329909 /nfs/dbraw/zinc/32/99/09/278329909.db2.gz WUAPYUYSDPYTCK-HOTGVXAUSA-N 2 2 252.446 3.230 20 0 CGADLP C[C@H]1CCCC[NH+](CC[N@@H+]2CCCC[C@H](C)C2)C1 ZINC000481575652 278329911 /nfs/dbraw/zinc/32/99/11/278329911.db2.gz WUAPYUYSDPYTCK-HOTGVXAUSA-N 2 2 252.446 3.230 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397926753 288035099 /nfs/dbraw/zinc/03/50/99/288035099.db2.gz OJUZKRCMIMABPQ-CJNGLKHVSA-N 2 2 258.409 3.309 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000398019029 288037537 /nfs/dbraw/zinc/03/75/37/288037537.db2.gz YUDVGPAYVPOOQL-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000398019029 288037539 /nfs/dbraw/zinc/03/75/39/288037539.db2.gz YUDVGPAYVPOOQL-KRWDZBQOSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000078464262 278587210 /nfs/dbraw/zinc/58/72/10/278587210.db2.gz CZCHEBNHLFHDLA-BFYDXBDKSA-N 2 2 287.451 3.465 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1OC ZINC000346791069 288088367 /nfs/dbraw/zinc/08/83/67/288088367.db2.gz GONLRLUPAUBQBT-BPUTZDHNSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1OC ZINC000346791069 288088368 /nfs/dbraw/zinc/08/83/68/288088368.db2.gz GONLRLUPAUBQBT-BPUTZDHNSA-N 2 2 276.424 3.219 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000459406939 288090183 /nfs/dbraw/zinc/09/01/83/288090183.db2.gz KUKUFEGRXSZKCD-DOOKAGJSSA-N 2 2 281.403 3.140 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000459406939 288090186 /nfs/dbraw/zinc/09/01/86/288090186.db2.gz KUKUFEGRXSZKCD-DOOKAGJSSA-N 2 2 281.403 3.140 20 0 CGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357213 279141686 /nfs/dbraw/zinc/14/16/86/279141686.db2.gz QBUAVSVQWNXFLL-QGZVFWFLSA-N 2 2 297.402 3.412 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414836720 279141736 /nfs/dbraw/zinc/14/17/36/279141736.db2.gz IXSVMDKOPXDZOV-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000250453184 279315083 /nfs/dbraw/zinc/31/50/83/279315083.db2.gz ZUNDELNAFARTEO-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000250453184 279315084 /nfs/dbraw/zinc/31/50/84/279315084.db2.gz ZUNDELNAFARTEO-HRCADAONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000449556686 279347189 /nfs/dbraw/zinc/34/71/89/279347189.db2.gz NLGUZESJQPGUKP-NEPJUHHUSA-N 2 2 288.357 3.349 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000129313281 279388578 /nfs/dbraw/zinc/38/85/78/279388578.db2.gz SOVIIOGNPCEYRL-CQSZACIVSA-N 2 2 261.413 3.364 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000515050989 280120874 /nfs/dbraw/zinc/12/08/74/280120874.db2.gz QKYFBFIJSSSDLZ-ZDUSSCGKSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000515050989 280120875 /nfs/dbraw/zinc/12/08/75/280120875.db2.gz QKYFBFIJSSSDLZ-ZDUSSCGKSA-N 2 2 273.355 3.032 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC3(CCCC3)CC1)CC2 ZINC000336007409 280498612 /nfs/dbraw/zinc/49/86/12/280498612.db2.gz VBPFINKWINKENC-HNNXBMFYSA-N 2 2 273.424 3.291 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1Cl ZINC000530176820 288294529 /nfs/dbraw/zinc/29/45/29/288294529.db2.gz CNWHBLQBIJUWGF-CQSZACIVSA-N 2 2 264.800 3.023 20 0 CGADLP c1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530177921 288295497 /nfs/dbraw/zinc/29/54/97/288295497.db2.gz LSMGGIIBDVZEJP-QGZVFWFLSA-N 2 2 266.388 3.214 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178680 288295967 /nfs/dbraw/zinc/29/59/67/288295967.db2.gz PYZTUZQDZUGOKL-ZDUSSCGKSA-N 2 2 285.218 3.368 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccsc1)CCC2 ZINC000360078315 281548685 /nfs/dbraw/zinc/54/86/85/281548685.db2.gz HCEBEYAGQXFTQI-QWHCGFSZSA-N 2 2 275.421 3.481 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)CCC2 ZINC000346548821 281552141 /nfs/dbraw/zinc/55/21/41/281552141.db2.gz CMXBQYGSXQZGCU-BFJAYTPKSA-N 2 2 275.440 3.483 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531704323 288341378 /nfs/dbraw/zinc/34/13/78/288341378.db2.gz XEGOOBSEVUCBFT-JHNDHUHGSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531704323 288341380 /nfs/dbraw/zinc/34/13/80/288341380.db2.gz XEGOOBSEVUCBFT-JHNDHUHGSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000532197468 288354834 /nfs/dbraw/zinc/35/48/34/288354834.db2.gz QJRWOEFPFVYBLD-YOEHRIQHSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000532197468 288354837 /nfs/dbraw/zinc/35/48/37/288354837.db2.gz QJRWOEFPFVYBLD-YOEHRIQHSA-N 2 2 260.425 3.211 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000532244249 288358118 /nfs/dbraw/zinc/35/81/18/288358118.db2.gz KWIWOSPSCATGJW-QLFBSQMISA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000532467184 288363167 /nfs/dbraw/zinc/36/31/67/288363167.db2.gz NEKZYKXLPGPAHH-QGZVFWFLSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192742632 289990896 /nfs/dbraw/zinc/99/08/96/289990896.db2.gz TWWCOGXREHBNKL-ZQIUZPCESA-N 2 2 260.425 3.456 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000549228562 289038545 /nfs/dbraw/zinc/03/85/45/289038545.db2.gz LWAPFLKBQIEAGU-KNCCTNLNSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000549228562 289038546 /nfs/dbraw/zinc/03/85/46/289038546.db2.gz LWAPFLKBQIEAGU-KNCCTNLNSA-N 2 2 272.436 3.251 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000549623718 289049164 /nfs/dbraw/zinc/04/91/64/289049164.db2.gz CUNGCZINVKQPPQ-QRTARXTBSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000549623718 289049167 /nfs/dbraw/zinc/04/91/67/289049167.db2.gz CUNGCZINVKQPPQ-QRTARXTBSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@H]1C[N@H+](C)CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000549637836 289049387 /nfs/dbraw/zinc/04/93/87/289049387.db2.gz LWFLJABZCWBYCX-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC[C@H]1C[N@@H+](C)CCN1c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000549637836 289049390 /nfs/dbraw/zinc/04/93/90/289049390.db2.gz LWFLJABZCWBYCX-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000550934387 289091740 /nfs/dbraw/zinc/09/17/40/289091740.db2.gz BUYAMVUVBKEAEC-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000550934387 289091742 /nfs/dbraw/zinc/09/17/42/289091742.db2.gz BUYAMVUVBKEAEC-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069991 289098102 /nfs/dbraw/zinc/09/81/02/289098102.db2.gz PPTBEXWLTZUVOA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069991 289098104 /nfs/dbraw/zinc/09/81/04/289098104.db2.gz PPTBEXWLTZUVOA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000551069991 289098105 /nfs/dbraw/zinc/09/81/05/289098105.db2.gz PPTBEXWLTZUVOA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000551069991 289098106 /nfs/dbraw/zinc/09/81/06/289098106.db2.gz PPTBEXWLTZUVOA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[N@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000552047322 289154481 /nfs/dbraw/zinc/15/44/81/289154481.db2.gz IAVQBNHPOXCPQY-INIZCTEOSA-N 2 2 292.471 3.353 20 0 CGADLP CCCC[N@@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000552047322 289154485 /nfs/dbraw/zinc/15/44/85/289154485.db2.gz IAVQBNHPOXCPQY-INIZCTEOSA-N 2 2 292.471 3.353 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554071870 289255112 /nfs/dbraw/zinc/25/51/12/289255112.db2.gz LBVDUQZNZVEUSA-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000554071870 289255113 /nfs/dbraw/zinc/25/51/13/289255113.db2.gz LBVDUQZNZVEUSA-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C[NH+](C)C ZINC000554371482 289276813 /nfs/dbraw/zinc/27/68/13/289276813.db2.gz OXLVHSKLMAPUED-MNOVXSKESA-N 2 2 289.250 3.464 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438791 290233330 /nfs/dbraw/zinc/23/33/30/290233330.db2.gz VYIDMULHKHXITJ-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438791 290233334 /nfs/dbraw/zinc/23/33/34/290233334.db2.gz VYIDMULHKHXITJ-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438791 290233338 /nfs/dbraw/zinc/23/33/38/290233338.db2.gz VYIDMULHKHXITJ-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438791 290233342 /nfs/dbraw/zinc/23/33/42/290233342.db2.gz VYIDMULHKHXITJ-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCCC[NH2+]1 ZINC000386574592 336176607 /nfs/dbraw/zinc/17/66/07/336176607.db2.gz MUPIUXYKWQZMMV-GXSJLCMTSA-N 2 2 258.818 3.022 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000516199892 295240699 /nfs/dbraw/zinc/24/06/99/295240699.db2.gz YEKIDBYDTDUMNH-OLMNPRSZSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CC[NH3+] ZINC000423176701 301158558 /nfs/dbraw/zinc/15/85/58/301158558.db2.gz CQFWGOAMFVGIJQ-OAHLLOKOSA-N 2 2 276.424 3.055 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCCO2 ZINC000423437693 301285736 /nfs/dbraw/zinc/28/57/36/301285736.db2.gz GLZJMKBCLUOEIT-COPLHBTASA-N 2 2 282.815 3.187 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)COC(C)C)[NH+](C)C ZINC000337258826 302208557 /nfs/dbraw/zinc/20/85/57/302208557.db2.gz OSEVMFYWNKQBEF-BQFCYCMXSA-N 2 2 292.467 3.389 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346802616 302312714 /nfs/dbraw/zinc/31/27/14/302312714.db2.gz DIKCFFWCNWNMGU-RWMBFGLXSA-N 2 2 252.427 3.190 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000582295347 328952206 /nfs/dbraw/zinc/95/22/06/328952206.db2.gz BUCVGWLDAPCQGW-NHYWBVRUSA-N 2 2 264.800 3.059 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccn1 ZINC000158581625 321818333 /nfs/dbraw/zinc/81/83/33/321818333.db2.gz GGVWWFSWLDPEHL-MRXNPFEDSA-N 2 2 294.402 3.403 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000564893277 322048211 /nfs/dbraw/zinc/04/82/11/322048211.db2.gz KTPLDMVTTSOQBY-KGLIPLIRSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000564893277 322048214 /nfs/dbraw/zinc/04/82/14/322048214.db2.gz KTPLDMVTTSOQBY-KGLIPLIRSA-N 2 2 269.392 3.438 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC(C)(C)C2)Cc2ccccc2C1 ZINC000565590388 322083159 /nfs/dbraw/zinc/08/31/59/322083159.db2.gz DYHQOUVUOVKFPS-KRWDZBQOSA-N 2 2 286.463 3.254 20 0 CGADLP CCC(CC)[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)[NH+]1CCCC1 ZINC000565671695 322086399 /nfs/dbraw/zinc/08/63/99/322086399.db2.gz PYEPOBKFBQJZAI-MRXNPFEDSA-N 2 2 292.471 3.017 20 0 CGADLP CCCC1CCC(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000565686679 322087011 /nfs/dbraw/zinc/08/70/11/322087011.db2.gz TVNBRLWXJZOAOB-YMAMQOFZSA-N 2 2 275.440 3.463 20 0 CGADLP CCCC1CCC(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000565686679 322087012 /nfs/dbraw/zinc/08/70/12/322087012.db2.gz TVNBRLWXJZOAOB-YMAMQOFZSA-N 2 2 275.440 3.463 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000565888714 322095497 /nfs/dbraw/zinc/09/54/97/322095497.db2.gz AEMWIYKRNXKEMG-ZDUSSCGKSA-N 2 2 274.330 3.499 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000566007373 322100596 /nfs/dbraw/zinc/10/05/96/322100596.db2.gz VOPFVRKUGZCWRK-RBUKOAKNSA-N 2 2 296.414 3.300 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3sc(Cl)cc32)n1C ZINC000566498880 322127110 /nfs/dbraw/zinc/12/71/10/322127110.db2.gz JBUVXINBDHWWII-NSHDSACASA-N 2 2 281.812 3.221 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ncc(-c2ccccc2)n1C ZINC000566556185 322129251 /nfs/dbraw/zinc/12/92/51/322129251.db2.gz HLSZIADLIOABBD-NUEKZKHPSA-N 2 2 298.434 3.008 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000566693031 322134778 /nfs/dbraw/zinc/13/47/78/322134778.db2.gz OWLPYVLMVPHNKX-XHSDSOJGSA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566693031 322134779 /nfs/dbraw/zinc/13/47/79/322134779.db2.gz OWLPYVLMVPHNKX-XHSDSOJGSA-N 2 2 250.430 3.338 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[NH+]3CCCC3)c2c1 ZINC000567752065 322176448 /nfs/dbraw/zinc/17/64/48/322176448.db2.gz WVYHLPBFXLQJFG-UHFFFAOYSA-N 2 2 255.365 3.051 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(Cc3ccccc3)CCCC2)n1C ZINC000569020891 322232256 /nfs/dbraw/zinc/23/22/56/322232256.db2.gz JOCXEGAGHVXUOU-UHFFFAOYSA-N 2 2 283.419 3.374 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)n1C ZINC000570293873 322270102 /nfs/dbraw/zinc/27/01/02/322270102.db2.gz RMLJESMSIBJISU-IAGOWNOFSA-N 2 2 283.419 3.230 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cnc(C3CCCCC3)s2)C1 ZINC000570826394 322283371 /nfs/dbraw/zinc/28/33/71/322283371.db2.gz DPVFAPJFNBFZRJ-UHFFFAOYSA-N 2 2 293.480 3.373 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CC(C)(C)CC(C)(C)C2)n1C ZINC000571061040 322289151 /nfs/dbraw/zinc/28/91/51/322289151.db2.gz NDYWLZGGPBEWMX-UHFFFAOYSA-N 2 2 263.429 3.423 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000571147994 322291134 /nfs/dbraw/zinc/29/11/34/322291134.db2.gz HQMPEIOSKOEGAL-OAHLLOKOSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000573483874 322390686 /nfs/dbraw/zinc/39/06/86/322390686.db2.gz QWEPYJGQVORYDT-ROUUACIJSA-N 2 2 282.387 3.052 20 0 CGADLP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586063 322396228 /nfs/dbraw/zinc/39/62/28/322396228.db2.gz HXAATGSTJADTAH-ROUUACIJSA-N 2 2 294.483 3.332 20 0 CGADLP C(C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586063 322396231 /nfs/dbraw/zinc/39/62/31/322396231.db2.gz HXAATGSTJADTAH-ROUUACIJSA-N 2 2 294.483 3.332 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000582783494 329191172 /nfs/dbraw/zinc/19/11/72/329191172.db2.gz NITUERNRRNIONB-INIZCTEOSA-N 2 2 286.423 3.043 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000576792493 335248414 /nfs/dbraw/zinc/24/84/14/335248414.db2.gz NTXVPPIHIDGDAQ-UKMLZYKCSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000576792493 335248415 /nfs/dbraw/zinc/24/84/15/335248415.db2.gz NTXVPPIHIDGDAQ-UKMLZYKCSA-N 2 2 262.441 3.194 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000577043769 335288735 /nfs/dbraw/zinc/28/87/35/335288735.db2.gz VAOUAWUKVMLZSH-SOLBZPMBSA-N 2 2 287.451 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000577043769 335288736 /nfs/dbraw/zinc/28/87/36/335288736.db2.gz VAOUAWUKVMLZSH-SOLBZPMBSA-N 2 2 287.451 3.039 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000578502548 335641609 /nfs/dbraw/zinc/64/16/09/335641609.db2.gz VDUADEZUZIWYJO-ZIAGYGMSSA-N 2 2 284.350 3.073 20 0 CGADLP CCCc1cc(N[C@H](C)Cn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000578809278 335676985 /nfs/dbraw/zinc/67/69/85/335676985.db2.gz FTYCIIUVCULZHI-CQSZACIVSA-N 2 2 294.402 3.306 20 0 CGADLP c1cn(CCCC[NH2+]C2CC3(C2)CCCCC3)c[nH+]1 ZINC000578992208 335696843 /nfs/dbraw/zinc/69/68/43/335696843.db2.gz PWNNXHSXCHDABY-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP C[C@H](C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000384322726 336123634 /nfs/dbraw/zinc/12/36/34/336123634.db2.gz PYOXFTGBUZOBBT-BEFAXECRSA-N 2 2 280.415 3.348 20 0 CGADLP C[C@H](C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000384322726 336123635 /nfs/dbraw/zinc/12/36/35/336123635.db2.gz PYOXFTGBUZOBBT-BEFAXECRSA-N 2 2 280.415 3.348 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000384898455 336133717 /nfs/dbraw/zinc/13/37/17/336133717.db2.gz VYFVGQLTMFQBPU-UHFFFAOYSA-N 2 2 287.432 3.040 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+](C)C3CC([NH3+])C3)cs2)cc1 ZINC000384898455 336133718 /nfs/dbraw/zinc/13/37/18/336133718.db2.gz VYFVGQLTMFQBPU-UHFFFAOYSA-N 2 2 287.432 3.040 20 0 CGADLP CSCC1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000385589801 336152320 /nfs/dbraw/zinc/15/23/20/336152320.db2.gz VLTHRSOJDCVKIA-FHERZECASA-N 2 2 284.513 3.372 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000581859963 336152873 /nfs/dbraw/zinc/15/28/73/336152873.db2.gz MZEVGWBVXZBEOR-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000581859963 336152874 /nfs/dbraw/zinc/15/28/74/336152874.db2.gz MZEVGWBVXZBEOR-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000385892142 336160170 /nfs/dbraw/zinc/16/01/70/336160170.db2.gz ZKOLCBLVWDYSBM-VXGQWTEUSA-N 2 2 282.497 3.123 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000385892142 336160172 /nfs/dbraw/zinc/16/01/72/336160172.db2.gz ZKOLCBLVWDYSBM-VXGQWTEUSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361456634 533766038 /nfs/dbraw/zinc/76/60/38/533766038.db2.gz MCTDHLXDWXDHRJ-AAEUAGOBSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089665 533818435 /nfs/dbraw/zinc/81/84/35/533818435.db2.gz ROYIQPLSNLLTHA-HZSPNIEDSA-N 2 2 257.381 3.201 20 0 CGADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000355089665 533818438 /nfs/dbraw/zinc/81/84/38/533818438.db2.gz ROYIQPLSNLLTHA-HZSPNIEDSA-N 2 2 257.381 3.201 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]1 ZINC000423369877 533965991 /nfs/dbraw/zinc/96/59/91/533965991.db2.gz CJAJXDRRCRFZFK-FSPWUOQZSA-N 2 2 299.393 3.040 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1 ZINC000352834571 534073743 /nfs/dbraw/zinc/07/37/43/534073743.db2.gz XXEOWZXIJJVYIT-UHFFFAOYSA-N 2 2 289.448 3.111 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367186227 534431997 /nfs/dbraw/zinc/43/19/97/534431997.db2.gz MKDIKJOORIOHKA-GOEBONIOSA-N 2 2 293.430 3.270 20 0 CGADLP Cc1ccsc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414815501 534473283 /nfs/dbraw/zinc/47/32/83/534473283.db2.gz UHWSBHJPKAZUQP-UHFFFAOYSA-N 2 2 266.454 3.459 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037119 534476492 /nfs/dbraw/zinc/47/64/92/534476492.db2.gz GFNYOXAYYQSADL-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037119 534476498 /nfs/dbraw/zinc/47/64/98/534476498.db2.gz GFNYOXAYYQSADL-LRDDRELGSA-N 2 2 296.817 3.443 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(CC)o2)CC1 ZINC000051724074 520577314 /nfs/dbraw/zinc/57/73/14/520577314.db2.gz VSZXJKFQRBSUGG-UHFFFAOYSA-N 2 2 264.413 3.196 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccco1)CCC2 ZINC000366212776 534511123 /nfs/dbraw/zinc/51/11/23/534511123.db2.gz WRKBYOLDRGWWLV-QWHCGFSZSA-N 2 2 259.353 3.013 20 0 CGADLP Fc1cccc2[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc21 ZINC000437691190 534528646 /nfs/dbraw/zinc/52/86/46/534528646.db2.gz IBRNPZZVPXBBOA-UHFFFAOYSA-N 2 2 298.365 3.410 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000364808500 521161508 /nfs/dbraw/zinc/16/15/08/521161508.db2.gz LYGYXUHNNUFVDT-PMPSAXMXSA-N 2 2 294.464 3.042 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000364808500 521161518 /nfs/dbraw/zinc/16/15/18/521161518.db2.gz LYGYXUHNNUFVDT-PMPSAXMXSA-N 2 2 294.464 3.042 20 0 CGADLP Cc1occc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000358016675 534573734 /nfs/dbraw/zinc/57/37/34/534573734.db2.gz HBANUYUCMVTSJR-UHFFFAOYSA-N 2 2 298.430 3.385 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1C(C)C ZINC000422702668 534607304 /nfs/dbraw/zinc/60/73/04/534607304.db2.gz FRVIGPMLVWOGCK-CHWSQXEVSA-N 2 2 281.469 3.325 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Cl)n1 ZINC000075860664 522935671 /nfs/dbraw/zinc/93/56/71/522935671.db2.gz OYUAHGRSFQMPOC-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Cl)n1 ZINC000075860664 522935682 /nfs/dbraw/zinc/93/56/82/522935682.db2.gz OYUAHGRSFQMPOC-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Cl)n1 ZINC000075860664 522935688 /nfs/dbraw/zinc/93/56/88/522935688.db2.gz OYUAHGRSFQMPOC-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Cl)n1 ZINC000075860664 522935691 /nfs/dbraw/zinc/93/56/91/522935691.db2.gz OYUAHGRSFQMPOC-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423323101 534864077 /nfs/dbraw/zinc/86/40/77/534864077.db2.gz JNYJCQCBYNTART-MNOVXSKESA-N 2 2 275.421 3.116 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486326 536465000 /nfs/dbraw/zinc/46/50/00/536465000.db2.gz SNMIRMRRGKROBR-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486326 536465002 /nfs/dbraw/zinc/46/50/02/536465002.db2.gz SNMIRMRRGKROBR-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486326 536465004 /nfs/dbraw/zinc/46/50/04/536465004.db2.gz SNMIRMRRGKROBR-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000459486326 536465006 /nfs/dbraw/zinc/46/50/06/536465006.db2.gz SNMIRMRRGKROBR-QZTJIDSGSA-N 2 2 270.420 3.090 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000367706054 526753415 /nfs/dbraw/zinc/75/34/15/526753415.db2.gz NAMSWCLDDUICEG-AWEZNQCLSA-N 2 2 288.395 3.006 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000367706054 526753419 /nfs/dbraw/zinc/75/34/19/526753419.db2.gz NAMSWCLDDUICEG-AWEZNQCLSA-N 2 2 288.395 3.006 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184261588 527169625 /nfs/dbraw/zinc/16/96/25/527169625.db2.gz XSGXAAREHRMGCX-CQSZACIVSA-N 2 2 294.402 3.399 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423281408 527257339 /nfs/dbraw/zinc/25/73/39/527257339.db2.gz BHHDHHCFMIXRBL-INIZCTEOSA-N 2 2 272.367 3.242 20 0 CGADLP FC(F)(F)CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000097988905 527665143 /nfs/dbraw/zinc/66/51/43/527665143.db2.gz YHRMSNVADIPPID-UHFFFAOYSA-N 2 2 283.297 3.304 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000368099562 527876938 /nfs/dbraw/zinc/87/69/38/527876938.db2.gz GBSDMVOBYPSKRB-IIDMSEBBSA-N 2 2 295.430 3.439 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000368099562 527876944 /nfs/dbraw/zinc/87/69/44/527876944.db2.gz GBSDMVOBYPSKRB-IIDMSEBBSA-N 2 2 295.430 3.439 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1OC ZINC000449051682 527900047 /nfs/dbraw/zinc/90/00/47/527900047.db2.gz YBFAYNJWTHZWMO-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1OC ZINC000449051682 527900051 /nfs/dbraw/zinc/90/00/51/527900051.db2.gz YBFAYNJWTHZWMO-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1OC ZINC000449051682 527900055 /nfs/dbraw/zinc/90/00/55/527900055.db2.gz YBFAYNJWTHZWMO-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1OC ZINC000449051682 527900062 /nfs/dbraw/zinc/90/00/62/527900062.db2.gz YBFAYNJWTHZWMO-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000423245619 527940316 /nfs/dbraw/zinc/94/03/16/527940316.db2.gz OYNCGZKYJMMCLH-IXDOHACOSA-N 2 2 288.435 3.014 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449381151 528155596 /nfs/dbraw/zinc/15/55/96/528155596.db2.gz XZBCGNSLXRENMJ-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449381151 528155600 /nfs/dbraw/zinc/15/56/00/528155600.db2.gz XZBCGNSLXRENMJ-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449340831 528184703 /nfs/dbraw/zinc/18/47/03/528184703.db2.gz XNPZINCJWKCHNG-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449340831 528184710 /nfs/dbraw/zinc/18/47/10/528184710.db2.gz XNPZINCJWKCHNG-OAHLLOKOSA-N 2 2 299.418 3.092 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358230757 528208565 /nfs/dbraw/zinc/20/85/65/528208565.db2.gz YSUQMORBWRBWSS-KEYYUXOJSA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358230757 528208568 /nfs/dbraw/zinc/20/85/68/528208568.db2.gz YSUQMORBWRBWSS-KEYYUXOJSA-N 2 2 276.424 3.075 20 0 CGADLP CCCCCOC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000358798586 528220592 /nfs/dbraw/zinc/22/05/92/528220592.db2.gz HIQZUTPXVHJPIY-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423444192 528223996 /nfs/dbraw/zinc/22/39/96/528223996.db2.gz XOJCORGNUSBGOB-OALUTQOASA-N 2 2 295.430 3.399 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337005 528240191 /nfs/dbraw/zinc/24/01/91/528240191.db2.gz HYOXCCICOAANCR-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337005 528240194 /nfs/dbraw/zinc/24/01/94/528240194.db2.gz HYOXCCICOAANCR-RDJZCZTQSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423247544 528360316 /nfs/dbraw/zinc/36/03/16/528360316.db2.gz QKBYHGWJRSNSCU-FUHWJXTLSA-N 2 2 283.419 3.458 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423378389 528421789 /nfs/dbraw/zinc/42/17/89/528421789.db2.gz KYKFSTSXRMQQCX-HIFRSBDPSA-N 2 2 252.402 3.345 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423378482 528422217 /nfs/dbraw/zinc/42/22/17/528422217.db2.gz LDBZTOBQXMZFGA-IAQYHMDHSA-N 2 2 266.816 3.379 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423367296 528422449 /nfs/dbraw/zinc/42/24/49/528422449.db2.gz ACXGRLBRSWDMTR-IAQYHMDHSA-N 2 2 270.367 3.250 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423471566 528475298 /nfs/dbraw/zinc/47/52/98/528475298.db2.gz PSBOJTABPLVLIA-CMPLNLGQSA-N 2 2 270.804 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423311079 528512320 /nfs/dbraw/zinc/51/23/20/528512320.db2.gz PBCNIGOJOCPLQP-NSHDSACASA-N 2 2 290.329 3.235 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000423308816 528514813 /nfs/dbraw/zinc/51/48/13/528514813.db2.gz KDROHTLGGCGRJV-INIZCTEOSA-N 2 2 264.413 3.126 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423307303 528515845 /nfs/dbraw/zinc/51/58/45/528515845.db2.gz GTQDIWMWMNMFPF-CQSZACIVSA-N 2 2 256.393 3.490 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423277714 528531502 /nfs/dbraw/zinc/53/15/02/528531502.db2.gz PYAWAZQIXYPNQB-ZANVPECISA-N 2 2 258.768 3.113 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[NH+](C)C ZINC000364648986 528531639 /nfs/dbraw/zinc/53/16/39/528531639.db2.gz FALMJLXFAQXWQF-BRSBDYLESA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000414129136 528571941 /nfs/dbraw/zinc/57/19/41/528571941.db2.gz ULJHIRQFGVQSTP-AWEZNQCLSA-N 2 2 277.437 3.401 20 0 CGADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000358915701 528586830 /nfs/dbraw/zinc/58/68/30/528586830.db2.gz POCNVUCQTYNASU-OAHLLOKOSA-N 2 2 279.334 3.148 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+](C)C)cc1F ZINC000424178590 528629815 /nfs/dbraw/zinc/62/98/15/528629815.db2.gz XCHOHMVZHKDLFU-UHFFFAOYSA-N 2 2 290.386 3.277 20 0 CGADLP CCCc1csc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000426411895 528661127 /nfs/dbraw/zinc/66/11/27/528661127.db2.gz OAOSOUCSIHDYIX-UHFFFAOYSA-N 2 2 290.436 3.198 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423354637 528727091 /nfs/dbraw/zinc/72/70/91/528727091.db2.gz DDGCCNCFJHBTQK-JKIFEVAISA-N 2 2 276.424 3.124 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423301162 528823598 /nfs/dbraw/zinc/82/35/98/528823598.db2.gz SQBLCGYIKNMKCD-LSDHHAIUSA-N 2 2 284.831 3.135 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423295590 528823726 /nfs/dbraw/zinc/82/37/26/528823726.db2.gz FJQDWXHGGFDFSI-HIFRSBDPSA-N 2 2 278.444 3.166 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423298839 528824076 /nfs/dbraw/zinc/82/40/76/528824076.db2.gz OXTRXBOKWRSHFB-ZFWWWQNUSA-N 2 2 280.387 3.147 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423287517 528952787 /nfs/dbraw/zinc/95/27/87/528952787.db2.gz MTBACHNCBNGQAW-CQSZACIVSA-N 3 2 286.423 3.040 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000423287733 528954554 /nfs/dbraw/zinc/95/45/54/528954554.db2.gz OCVAXDXQQJCPAN-LLVKDONJSA-N 2 2 269.458 3.435 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423303981 528955467 /nfs/dbraw/zinc/95/54/67/528955467.db2.gz XWAXGBKPXJUYDQ-CABCVRRESA-N 2 2 284.831 3.135 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000358305192 529047592 /nfs/dbraw/zinc/04/75/92/529047592.db2.gz YSZHASZQHFRAKR-KRWDZBQOSA-N 2 2 287.451 3.214 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359698026 529052075 /nfs/dbraw/zinc/05/20/75/529052075.db2.gz VDKBIHZTGFPDMW-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359698026 529052078 /nfs/dbraw/zinc/05/20/78/529052078.db2.gz VDKBIHZTGFPDMW-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224070 529098437 /nfs/dbraw/zinc/09/84/37/529098437.db2.gz IKCWOOAYMSSKRX-XYJFISCASA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000482224070 529098440 /nfs/dbraw/zinc/09/84/40/529098440.db2.gz IKCWOOAYMSSKRX-XYJFISCASA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154639611 529175882 /nfs/dbraw/zinc/17/58/82/529175882.db2.gz CPXNVTAOSCSWHD-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154639611 529175886 /nfs/dbraw/zinc/17/58/86/529175886.db2.gz CPXNVTAOSCSWHD-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494432174 535226770 /nfs/dbraw/zinc/22/67/70/535226770.db2.gz SJXPAHZINTYGKT-INIZCTEOSA-N 2 2 299.418 3.023 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccoc1 ZINC000727463563 571746840 /nfs/dbraw/zinc/74/68/40/571746840.db2.gz JHLKJIKHYVHEDX-UHFFFAOYSA-N 2 2 269.348 3.118 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C12CCCC2 ZINC000085680239 618062141 /nfs/dbraw/zinc/06/21/41/618062141.db2.gz HYMDZSABODYNPK-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000891841446 618333949 /nfs/dbraw/zinc/33/39/49/618333949.db2.gz BEGYISNJKOWJGV-UHFFFAOYSA-N 2 2 283.419 3.380 20 0 CGADLP FC1(F)CC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926558577 618741085 /nfs/dbraw/zinc/74/10/85/618741085.db2.gz PZGWYCPOIRZBBK-KBPBESRZSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926558577 618741087 /nfs/dbraw/zinc/74/10/87/618741087.db2.gz PZGWYCPOIRZBBK-KBPBESRZSA-N 2 2 272.383 3.028 20 0 CGADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)c2c(n1)CCCC2 ZINC000892660154 618890502 /nfs/dbraw/zinc/89/05/02/618890502.db2.gz ZPCHDZXTPQEMKU-UHFFFAOYSA-N 2 2 298.434 3.035 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCOC1CCCCC1)c1ccccc1 ZINC000925520654 619013134 /nfs/dbraw/zinc/01/31/34/619013134.db2.gz SBJBPTDBPQGWKN-QAPCUYQASA-N 2 2 290.451 3.404 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000854230839 619063880 /nfs/dbraw/zinc/06/38/80/619063880.db2.gz AARIEVDAVKQVIK-UWVGGRQHSA-N 2 2 274.380 3.260 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925616677 619089648 /nfs/dbraw/zinc/08/96/48/619089648.db2.gz AAZLOMDHYQEQHI-UBHSHLNASA-N 2 2 268.351 3.242 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1CC(F)(F)F ZINC000925719474 619165076 /nfs/dbraw/zinc/16/50/76/619165076.db2.gz SQFZDKQITAOPJQ-SMDDNHRTSA-N 2 2 286.341 3.022 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175361 619179096 /nfs/dbraw/zinc/17/90/96/619179096.db2.gz UNDNLRHMEOPXNP-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175361 619179098 /nfs/dbraw/zinc/17/90/98/619179098.db2.gz UNDNLRHMEOPXNP-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Cl ZINC000925778771 619240933 /nfs/dbraw/zinc/24/09/33/619240933.db2.gz KWPSNCGOZWGIPD-QWRGUYRKSA-N 2 2 288.769 3.235 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000894178402 619406987 /nfs/dbraw/zinc/40/69/87/619406987.db2.gz HHJTUBBKISWKHC-OAHLLOKOSA-N 2 2 298.434 3.074 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000894178402 619406989 /nfs/dbraw/zinc/40/69/89/619406989.db2.gz HHJTUBBKISWKHC-OAHLLOKOSA-N 2 2 298.434 3.074 20 0 CGADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110795 619733673 /nfs/dbraw/zinc/73/36/73/619733673.db2.gz XRHNBGIFOXEVLQ-FPCVCCKLSA-N 2 2 273.424 3.347 20 0 CGADLP CC(C)n1cncc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895380277 619817130 /nfs/dbraw/zinc/81/71/30/619817130.db2.gz NZLNACPDKWZXOK-RDJZCZTQSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1cncc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895380277 619817131 /nfs/dbraw/zinc/81/71/31/619817131.db2.gz NZLNACPDKWZXOK-RDJZCZTQSA-N 2 2 292.471 3.016 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1F ZINC000895671554 619869289 /nfs/dbraw/zinc/86/92/89/619869289.db2.gz QLTBLZUXPFQDMW-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1 ZINC000840726302 620238243 /nfs/dbraw/zinc/23/82/43/620238243.db2.gz GGJFKPFLOGSZCG-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1 ZINC000840726302 620238245 /nfs/dbraw/zinc/23/82/45/620238245.db2.gz GGJFKPFLOGSZCG-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000898034805 620470741 /nfs/dbraw/zinc/47/07/41/620470741.db2.gz XPVMBUIIFIHFBC-KRWDZBQOSA-N 2 2 287.451 3.255 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000898034805 620470743 /nfs/dbraw/zinc/47/07/43/620470743.db2.gz XPVMBUIIFIHFBC-KRWDZBQOSA-N 2 2 287.451 3.255 20 0 CGADLP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000898224239 620499168 /nfs/dbraw/zinc/49/91/68/620499168.db2.gz RFKOUWPCUVKXPC-IUODEOHRSA-N 2 2 273.405 3.378 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000902439919 621319786 /nfs/dbraw/zinc/31/97/86/621319786.db2.gz VAJOJBNBMCYIEK-RCCFBDPRSA-N 2 2 282.362 3.027 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CCC2)cc1 ZINC000902468178 621339604 /nfs/dbraw/zinc/33/96/04/621339604.db2.gz MGOIRDCZTNXSDB-BSDSXHPESA-N 2 2 270.420 3.319 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cccc2ccccc21 ZINC000902517442 621359112 /nfs/dbraw/zinc/35/91/12/621359112.db2.gz MNJYQFPXESGPJF-UXLLHSPISA-N 2 2 298.430 3.257 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725022 621413481 /nfs/dbraw/zinc/41/34/81/621413481.db2.gz NWZUVPAYOUQNCK-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725022 621413485 /nfs/dbraw/zinc/41/34/85/621413485.db2.gz NWZUVPAYOUQNCK-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP COCCC1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902881059 621482800 /nfs/dbraw/zinc/48/28/00/621482800.db2.gz FBRUUTDOYAEDIQ-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903016166 621518302 /nfs/dbraw/zinc/51/83/02/621518302.db2.gz IYCRJNFBGXJSDB-JLJPHGGASA-N 2 2 285.391 3.090 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903015274 621519014 /nfs/dbraw/zinc/51/90/14/621519014.db2.gz FGXJLCJXGPQHIN-QILLFSRXSA-N 2 2 299.418 3.479 20 0 CGADLP COC1([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000903023321 621541481 /nfs/dbraw/zinc/54/14/81/621541481.db2.gz DHCQAAVQVFEXLL-CABCVRRESA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903024956 621542502 /nfs/dbraw/zinc/54/25/02/621542502.db2.gz QIHOCSGZSGEICS-UXLLHSPISA-N 2 2 299.418 3.074 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1Br ZINC000903768940 621803936 /nfs/dbraw/zinc/80/39/36/621803936.db2.gz VOACAQPOMOTFPG-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1Br ZINC000903768940 621803939 /nfs/dbraw/zinc/80/39/39/621803939.db2.gz VOACAQPOMOTFPG-AAEUAGOBSA-N 2 2 297.240 3.069 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cccnc2Cl)CCC1 ZINC000903810336 621813703 /nfs/dbraw/zinc/81/37/03/621813703.db2.gz BDEQYYSJKVQXMO-AWEZNQCLSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccnc2Cl)CCC1 ZINC000903810336 621813705 /nfs/dbraw/zinc/81/37/05/621813705.db2.gz BDEQYYSJKVQXMO-AWEZNQCLSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ncccc2Cl)CCC1 ZINC000903813212 621814982 /nfs/dbraw/zinc/81/49/82/621814982.db2.gz ZDVFKYSVWVVDOS-OAHLLOKOSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ncccc2Cl)CCC1 ZINC000903813212 621814984 /nfs/dbraw/zinc/81/49/84/621814984.db2.gz ZDVFKYSVWVVDOS-OAHLLOKOSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC000903846701 621820349 /nfs/dbraw/zinc/82/03/49/621820349.db2.gz QCBDQRNBNHOGTC-BIMULSAOSA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC000903846701 621820354 /nfs/dbraw/zinc/82/03/54/621820354.db2.gz QCBDQRNBNHOGTC-BIMULSAOSA-N 2 2 285.218 3.305 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858869 621821488 /nfs/dbraw/zinc/82/14/88/621821488.db2.gz JQJHRGXSVBRWSD-YJBOKZPZSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858869 621821491 /nfs/dbraw/zinc/82/14/91/621821491.db2.gz JQJHRGXSVBRWSD-YJBOKZPZSA-N 2 2 287.451 3.081 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917100 621836347 /nfs/dbraw/zinc/83/63/47/621836347.db2.gz KTRKFLXVGOEIMC-ZIAGYGMSSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)c(C)c1 ZINC000903917100 621836348 /nfs/dbraw/zinc/83/63/48/621836348.db2.gz KTRKFLXVGOEIMC-ZIAGYGMSSA-N 2 2 282.378 3.075 20 0 CGADLP [NH3+]Cc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1 ZINC000904353055 621910972 /nfs/dbraw/zinc/91/09/72/621910972.db2.gz HCELEUDVSGWYCC-UHFFFAOYSA-N 2 2 267.376 3.116 20 0 CGADLP CC(C)(C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC000904461207 621923692 /nfs/dbraw/zinc/92/36/92/621923692.db2.gz GWGZVRZRMSDWCS-QZTJIDSGSA-N 2 2 280.415 3.179 20 0 CGADLP C[C@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC000904459240 621924038 /nfs/dbraw/zinc/92/40/38/621924038.db2.gz PNEIDGPCUAZFDM-FSPWUOQZSA-N 2 2 266.388 3.004 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C(C)(C)C ZINC000904468716 621925080 /nfs/dbraw/zinc/92/50/80/621925080.db2.gz FPWAFBKUPAVIFH-SMDDNHRTSA-N 2 2 285.382 3.049 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1csc2ccccc12 ZINC000904484915 621926638 /nfs/dbraw/zinc/92/66/38/621926638.db2.gz QKAGSRKOXTYTCD-VXGBXAGGSA-N 2 2 260.406 3.304 20 0 CGADLP CCCC[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000906529125 622244247 /nfs/dbraw/zinc/24/42/47/622244247.db2.gz GMNWQTUHJRJNJJ-MRXNPFEDSA-N 2 2 290.451 3.276 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471049 625569686 /nfs/dbraw/zinc/56/96/86/625569686.db2.gz QFZJANRICDABPK-WBMJQRKESA-N 2 2 264.413 3.201 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471049 625569694 /nfs/dbraw/zinc/56/96/94/625569694.db2.gz QFZJANRICDABPK-WBMJQRKESA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471049 625569705 /nfs/dbraw/zinc/56/97/05/625569705.db2.gz QFZJANRICDABPK-WBMJQRKESA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)oc2C)C[C@H]1C ZINC000769471049 625569718 /nfs/dbraw/zinc/56/97/18/625569718.db2.gz QFZJANRICDABPK-WBMJQRKESA-N 2 2 264.413 3.201 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)[NH+]1CCC(C)CC1 ZINC000924851655 622707407 /nfs/dbraw/zinc/70/74/07/622707407.db2.gz BHIGTWMQECIBBB-KURKYZTESA-N 2 2 296.499 3.028 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000230028332 623187574 /nfs/dbraw/zinc/18/75/74/623187574.db2.gz JKSSJNVTLFPDQE-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000230028332 623187584 /nfs/dbraw/zinc/18/75/84/623187584.db2.gz JKSSJNVTLFPDQE-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]CCc2ccccc2)c[nH+]1 ZINC000915226103 623921822 /nfs/dbraw/zinc/92/18/22/623921822.db2.gz BCKSXVCWNBHCPD-UHFFFAOYSA-N 2 2 291.398 3.264 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000921495886 624595252 /nfs/dbraw/zinc/59/52/52/624595252.db2.gz IXDCATRRNDQBHO-CQSZACIVSA-N 2 2 295.858 3.398 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000921495886 624595258 /nfs/dbraw/zinc/59/52/58/624595258.db2.gz IXDCATRRNDQBHO-CQSZACIVSA-N 2 2 295.858 3.398 20 0 CGADLP CC(C)CCC[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000922628832 626022192 /nfs/dbraw/zinc/02/21/92/626022192.db2.gz UNECEXSASQOGTG-MRXNPFEDSA-N 2 2 263.429 3.100 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])sc1C(C)(C)C ZINC000923354748 626148962 /nfs/dbraw/zinc/14/89/62/626148962.db2.gz VVJCBZRHZZWCKC-CYBMUJFWSA-N 2 2 295.496 3.452 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])sc1C(C)(C)C ZINC000923354748 626148965 /nfs/dbraw/zinc/14/89/65/626148965.db2.gz VVJCBZRHZZWCKC-CYBMUJFWSA-N 2 2 295.496 3.452 20 0 CGADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCOCC1 ZINC000765248413 627243268 /nfs/dbraw/zinc/24/32/68/627243268.db2.gz DATZSOBDQDKQQH-HZPDHXFCSA-N 2 2 293.455 3.093 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCOCC1 ZINC000765248412 627243428 /nfs/dbraw/zinc/24/34/28/627243428.db2.gz DATZSOBDQDKQQH-HOTGVXAUSA-N 2 2 293.455 3.093 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000765943039 627279983 /nfs/dbraw/zinc/27/99/83/627279983.db2.gz AVWXABATQHURFR-ZDUSSCGKSA-N 2 2 260.491 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000765943039 627279988 /nfs/dbraw/zinc/27/99/88/627279988.db2.gz AVWXABATQHURFR-ZDUSSCGKSA-N 2 2 260.491 3.228 20 0 CGADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000766214016 627304027 /nfs/dbraw/zinc/30/40/27/627304027.db2.gz VBPGVRCQCGUNIE-UHFFFAOYSA-N 2 2 278.415 3.487 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000766267715 627307723 /nfs/dbraw/zinc/30/77/23/627307723.db2.gz ILFBTQZKSCJIAP-RDTXWAMCSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCC2 ZINC000766267715 627307728 /nfs/dbraw/zinc/30/77/28/627307728.db2.gz ILFBTQZKSCJIAP-RDTXWAMCSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000766267812 627308561 /nfs/dbraw/zinc/30/85/61/627308561.db2.gz IXIJSXRXUVDMJK-WMLDXEAASA-N 2 2 272.436 3.483 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000766267812 627308563 /nfs/dbraw/zinc/30/85/63/627308563.db2.gz IXIJSXRXUVDMJK-WMLDXEAASA-N 2 2 272.436 3.483 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766273594 627310891 /nfs/dbraw/zinc/31/08/91/627310891.db2.gz QLLLUHBWGVPOQZ-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766273594 627310892 /nfs/dbraw/zinc/31/08/92/627310892.db2.gz QLLLUHBWGVPOQZ-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000766329366 627320522 /nfs/dbraw/zinc/32/05/22/627320522.db2.gz DCJBTLRYPDOEEM-KSZLIROESA-N 2 2 286.463 3.499 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000766437493 627331491 /nfs/dbraw/zinc/33/14/91/627331491.db2.gz CROLYZJYDUFORX-IRXDYDNUSA-N 2 2 290.476 3.009 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471047 627557446 /nfs/dbraw/zinc/55/74/46/627557446.db2.gz QFZJANRICDABPK-LRDDRELGSA-N 2 2 264.413 3.201 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471047 627557447 /nfs/dbraw/zinc/55/74/47/627557447.db2.gz QFZJANRICDABPK-LRDDRELGSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471047 627557451 /nfs/dbraw/zinc/55/74/51/627557451.db2.gz QFZJANRICDABPK-LRDDRELGSA-N 2 2 264.413 3.201 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)oc2C)C[C@@H]1C ZINC000769471047 627557454 /nfs/dbraw/zinc/55/74/54/627557454.db2.gz QFZJANRICDABPK-LRDDRELGSA-N 2 2 264.413 3.201 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775392051 628089252 /nfs/dbraw/zinc/08/92/52/628089252.db2.gz HBWKBXMYURVNFX-CXAGYDPISA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000775392051 628089256 /nfs/dbraw/zinc/08/92/56/628089256.db2.gz HBWKBXMYURVNFX-CXAGYDPISA-N 2 2 276.399 3.277 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777609884 628288494 /nfs/dbraw/zinc/28/84/94/628288494.db2.gz GRUYMYFGBCSFBI-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000780530212 628495863 /nfs/dbraw/zinc/49/58/63/628495863.db2.gz OTCLQRVGGZEKKH-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000780530212 628495867 /nfs/dbraw/zinc/49/58/67/628495867.db2.gz OTCLQRVGGZEKKH-BPQIPLTHSA-N 2 2 272.436 3.397 20 0 CGADLP CSC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000780726802 628510976 /nfs/dbraw/zinc/51/09/76/628510976.db2.gz YRBFKBHVURQRPA-UHFFFAOYSA-N 2 2 298.418 3.134 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049638 629180750 /nfs/dbraw/zinc/18/07/50/629180750.db2.gz PADHCSQEHGKMGC-MRXNPFEDSA-N 2 2 260.425 3.038 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790049638 629180752 /nfs/dbraw/zinc/18/07/52/629180752.db2.gz PADHCSQEHGKMGC-MRXNPFEDSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000863653777 629632232 /nfs/dbraw/zinc/63/22/32/629632232.db2.gz PIROGNDUKAUONN-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000863653777 629632241 /nfs/dbraw/zinc/63/22/41/629632241.db2.gz PIROGNDUKAUONN-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863653480 629632608 /nfs/dbraw/zinc/63/26/08/629632608.db2.gz KUHVTRWOYSRBAU-OAHLLOKOSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863653480 629632615 /nfs/dbraw/zinc/63/26/15/629632615.db2.gz KUHVTRWOYSRBAU-OAHLLOKOSA-N 2 2 268.404 3.441 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000796701103 629816911 /nfs/dbraw/zinc/81/69/11/629816911.db2.gz GOLCLOYAZBKDKR-KKUMJFAQSA-N 2 2 263.429 3.322 20 0 CGADLP C[C@H](C[NH2+]Cc1nc(C(C)(C)C)cs1)Cn1cc[nH+]c1 ZINC000865434080 630120898 /nfs/dbraw/zinc/12/08/98/630120898.db2.gz VZMVVZUVYRGMRM-GFCCVEGCSA-N 2 2 292.452 3.063 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000799719181 630223900 /nfs/dbraw/zinc/22/39/00/630223900.db2.gz VGWHKWYJBKDWPO-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000799719181 630223903 /nfs/dbraw/zinc/22/39/03/630223903.db2.gz VGWHKWYJBKDWPO-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800968310 630314352 /nfs/dbraw/zinc/31/43/52/630314352.db2.gz JNNDSPSRSIVPOM-XHSDSOJGSA-N 2 2 275.440 3.466 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000865699310 630396735 /nfs/dbraw/zinc/39/67/35/630396735.db2.gz PDJYWLUOMQASQP-CVEARBPZSA-N 2 2 273.355 3.243 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCCF)CC2)cc1 ZINC000812735881 631299188 /nfs/dbraw/zinc/29/91/88/631299188.db2.gz CLISJDOJPAJATC-UHFFFAOYSA-N 2 2 293.430 3.061 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000815584700 631800354 /nfs/dbraw/zinc/80/03/54/631800354.db2.gz MPWDWSPCBSNEMJ-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000815584700 631800365 /nfs/dbraw/zinc/80/03/65/631800365.db2.gz MPWDWSPCBSNEMJ-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+]C1CC2(C1)CCCCC2 ZINC000817408286 632139776 /nfs/dbraw/zinc/13/97/76/632139776.db2.gz HFXSVUFTMYBBLF-UHFFFAOYSA-N 2 2 250.430 3.175 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933395 632236219 /nfs/dbraw/zinc/23/62/19/632236219.db2.gz CJBSVGWGJUHNES-RISCZKNCSA-N 2 2 299.821 3.275 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817955000 632250163 /nfs/dbraw/zinc/25/01/63/632250163.db2.gz OAZXUVWGMDZESI-SUMWQHHRSA-N 2 2 272.367 3.485 20 0 CGADLP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000866211641 633029472 /nfs/dbraw/zinc/02/94/72/633029472.db2.gz FOOXAXFWGXRRRU-GUYCJALGSA-N 2 2 287.382 3.326 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000866215564 633032067 /nfs/dbraw/zinc/03/20/67/633032067.db2.gz KGQYIZVWZJUGSL-KRWDZBQOSA-N 2 2 277.371 3.313 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000866347843 633091828 /nfs/dbraw/zinc/09/18/28/633091828.db2.gz KSPQKGYLJOGRAA-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000866347843 633091835 /nfs/dbraw/zinc/09/18/35/633091835.db2.gz KSPQKGYLJOGRAA-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000872016668 633936904 /nfs/dbraw/zinc/93/69/04/633936904.db2.gz MFGZHDCOFLVEBZ-JTQLQIEISA-N 2 2 254.340 3.037 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(O)ccc1F ZINC000872018004 633938946 /nfs/dbraw/zinc/93/89/46/633938946.db2.gz HGHAIBOVNFKOPG-NSHDSACASA-N 2 2 294.414 3.491 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000872027855 633947272 /nfs/dbraw/zinc/94/72/72/633947272.db2.gz GNXMRTCFSGHMSM-IKGGRYGDSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872041903 633963988 /nfs/dbraw/zinc/96/39/88/633963988.db2.gz XGBTVIYUGIFPEA-XQQFMLRXSA-N 2 2 280.387 3.055 20 0 CGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000846217397 636161312 /nfs/dbraw/zinc/16/13/12/636161312.db2.gz AMMJWOIKVMVXTE-INIZCTEOSA-N 2 2 296.842 3.232 20 0 CGADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000846217397 636161315 /nfs/dbraw/zinc/16/13/15/636161315.db2.gz AMMJWOIKVMVXTE-INIZCTEOSA-N 2 2 296.842 3.232 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H]1C ZINC000840717831 635041605 /nfs/dbraw/zinc/04/16/05/635041605.db2.gz UEKMASBSLHULDY-XKQJLSEDSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(OCC[NH+](C)C)cc1OC ZINC000840959058 635094434 /nfs/dbraw/zinc/09/44/34/635094434.db2.gz OXYDUBGHJYIEPW-CYBMUJFWSA-N 2 2 280.412 3.094 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163358 635386887 /nfs/dbraw/zinc/38/68/87/635386887.db2.gz QQSIRUIBKCXGFA-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163358 635386890 /nfs/dbraw/zinc/38/68/90/635386890.db2.gz QQSIRUIBKCXGFA-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163358 635386893 /nfs/dbraw/zinc/38/68/93/635386893.db2.gz QQSIRUIBKCXGFA-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C[C@H]1C ZINC000878163358 635386896 /nfs/dbraw/zinc/38/68/96/635386896.db2.gz QQSIRUIBKCXGFA-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CCCCCC[N@H+](C)Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000842586305 635412176 /nfs/dbraw/zinc/41/21/76/635412176.db2.gz PTPVASXPYGWKDP-ZDUSSCGKSA-N 2 2 282.432 3.128 20 0 CGADLP CCCCCC[N@@H+](C)Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000842586305 635412183 /nfs/dbraw/zinc/41/21/83/635412183.db2.gz PTPVASXPYGWKDP-ZDUSSCGKSA-N 2 2 282.432 3.128 20 0 CGADLP C=C/C=C/CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878322138 635461913 /nfs/dbraw/zinc/46/19/13/635461913.db2.gz XRUDXSFGTSSDJM-ONEGZZNKSA-N 2 2 257.381 3.090 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880134652 635920962 /nfs/dbraw/zinc/92/09/62/635920962.db2.gz OFFWGTNCEKRZKG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134652 635920965 /nfs/dbraw/zinc/92/09/65/635920965.db2.gz OFFWGTNCEKRZKG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134652 635920968 /nfs/dbraw/zinc/92/09/68/635920968.db2.gz OFFWGTNCEKRZKG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134652 635920971 /nfs/dbraw/zinc/92/09/71/635920971.db2.gz OFFWGTNCEKRZKG-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136312 635920999 /nfs/dbraw/zinc/92/09/99/635920999.db2.gz JVPMTIKANSGHNU-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136312 635921002 /nfs/dbraw/zinc/92/10/02/635921002.db2.gz JVPMTIKANSGHNU-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136312 635921008 /nfs/dbraw/zinc/92/10/08/635921008.db2.gz JVPMTIKANSGHNU-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136312 635921015 /nfs/dbraw/zinc/92/10/15/635921015.db2.gz JVPMTIKANSGHNU-ROUUACIJSA-N 2 2 272.436 3.096 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142030 635922240 /nfs/dbraw/zinc/92/22/40/635922240.db2.gz WSIGYAJLSQESAD-ZIAGYGMSSA-N 2 2 270.486 3.077 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142030 635922269 /nfs/dbraw/zinc/92/22/69/635922269.db2.gz WSIGYAJLSQESAD-ZIAGYGMSSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCSC(C)(C)C ZINC000880142030 635922272 /nfs/dbraw/zinc/92/22/72/635922272.db2.gz WSIGYAJLSQESAD-ZIAGYGMSSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCSC(C)(C)C ZINC000880142030 635922276 /nfs/dbraw/zinc/92/22/76/635922276.db2.gz WSIGYAJLSQESAD-ZIAGYGMSSA-N 2 2 270.486 3.077 20 0 CGADLP CC1(C)CC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569625 636023152 /nfs/dbraw/zinc/02/31/52/636023152.db2.gz MWXCLSBBROHDTH-IRXDYDNUSA-N 2 2 299.418 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000846103950 636142949 /nfs/dbraw/zinc/14/29/49/636142949.db2.gz AHOMKLRTRPHSNS-WOPDTQHZSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000846103950 636142953 /nfs/dbraw/zinc/14/29/53/636142953.db2.gz AHOMKLRTRPHSNS-WOPDTQHZSA-N 2 2 291.266 3.175 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000846176005 636154136 /nfs/dbraw/zinc/15/41/36/636154136.db2.gz BKBOWEUSAIBBAZ-CYBMUJFWSA-N 2 2 281.444 3.174 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000846176005 636154140 /nfs/dbraw/zinc/15/41/40/636154140.db2.gz BKBOWEUSAIBBAZ-CYBMUJFWSA-N 2 2 281.444 3.174 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000129247480 636202884 /nfs/dbraw/zinc/20/28/84/636202884.db2.gz RGUBTBLVKCFANM-ZFWWWQNUSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883218338 636591973 /nfs/dbraw/zinc/59/19/73/636591973.db2.gz YLAAJSUTGHSXEN-HZSPNIEDSA-N 2 2 261.413 3.002 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883388410 636730637 /nfs/dbraw/zinc/73/06/37/636730637.db2.gz UWTIHYQCCDHFKB-KZNAEPCWSA-N 2 2 299.418 3.172 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C12CCCC2 ZINC000085680235 636774066 /nfs/dbraw/zinc/77/40/66/636774066.db2.gz HYMDZSABODYNPK-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC23CC4CC(CC(C4)C2)C3)n1C ZINC000850007054 636926788 /nfs/dbraw/zinc/92/67/88/636926788.db2.gz FUMPDILTRMGXMY-UHFFFAOYSA-N 2 2 273.424 3.035 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3=CCCC3)CC2)cc1 ZINC000850395986 637046690 /nfs/dbraw/zinc/04/66/90/637046690.db2.gz MZLXRJVQHVVRKK-UHFFFAOYSA-N 2 2 299.462 3.421 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850424911 637056960 /nfs/dbraw/zinc/05/69/60/637056960.db2.gz IKYZSVIXUIYZPY-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556146 637122346 /nfs/dbraw/zinc/12/23/46/637122346.db2.gz RFURIIGCQGOWNN-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556146 637122355 /nfs/dbraw/zinc/12/23/55/637122355.db2.gz RFURIIGCQGOWNN-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885923044 637312702 /nfs/dbraw/zinc/31/27/02/637312702.db2.gz OMIOJVWRVDIODU-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885923044 637312703 /nfs/dbraw/zinc/31/27/03/637312703.db2.gz OMIOJVWRVDIODU-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)[nH]1 ZINC000886034925 637376958 /nfs/dbraw/zinc/37/69/58/637376958.db2.gz IDGJJMSOTRKPQM-CABCVRRESA-N 2 2 259.397 3.025 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924529325 638351460 /nfs/dbraw/zinc/35/14/60/638351460.db2.gz UYAXXFZXFIKNKN-BZSNNMDCSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924529325 638351468 /nfs/dbraw/zinc/35/14/68/638351468.db2.gz UYAXXFZXFIKNKN-BZSNNMDCSA-N 3 2 295.515 3.103 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000924650332 638383775 /nfs/dbraw/zinc/38/37/75/638383775.db2.gz VEFOSDDGKQXCNC-OLZOCXBDSA-N 2 2 269.348 3.369 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924999272 638435594 /nfs/dbraw/zinc/43/55/94/638435594.db2.gz DOUDDPUZDCEFBH-INIZCTEOSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142166 638460484 /nfs/dbraw/zinc/46/04/84/638460484.db2.gz NVVWHPCEMWITII-OFQRWUPVSA-N 2 2 299.418 3.475 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142166 638460492 /nfs/dbraw/zinc/46/04/92/638460492.db2.gz NVVWHPCEMWITII-OFQRWUPVSA-N 2 2 299.418 3.475 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2c1C ZINC000925473235 638507106 /nfs/dbraw/zinc/50/71/06/638507106.db2.gz LDJYNDIRNATPOF-KRWDZBQOSA-N 2 2 283.419 3.159 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925672558 638564933 /nfs/dbraw/zinc/56/49/33/638564933.db2.gz WDTAKUKMKVGKEN-MAUKXSAKSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925732263 638585774 /nfs/dbraw/zinc/58/57/74/638585774.db2.gz PGVVKRUTZBJXDS-YOODTLSXSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871813 638637414 /nfs/dbraw/zinc/63/74/14/638637414.db2.gz ITAJZZJIQDKPMI-QGTPRVQTSA-N 2 2 295.430 3.007 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858151063 638645208 /nfs/dbraw/zinc/64/52/08/638645208.db2.gz RMBSYHUPYOJDTI-CCKFTAQKSA-N 2 2 299.462 3.285 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926165700 638727251 /nfs/dbraw/zinc/72/72/51/638727251.db2.gz DVLYWKJJJMVQHE-LBPRGKRZSA-N 2 2 279.428 3.064 20 0 CGADLP Cc1cscc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926305392 638761199 /nfs/dbraw/zinc/76/11/99/638761199.db2.gz ZVPCQAVPYBMSCW-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cscc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926305392 638761202 /nfs/dbraw/zinc/76/12/02/638761202.db2.gz ZVPCQAVPYBMSCW-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926503068 638778866 /nfs/dbraw/zinc/77/88/66/638778866.db2.gz SAUUYSIQCJQTNS-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926503068 638778869 /nfs/dbraw/zinc/77/88/69/638778869.db2.gz SAUUYSIQCJQTNS-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000926582544 638787680 /nfs/dbraw/zinc/78/76/80/638787680.db2.gz AFDQRHSYHZVGHU-RWMBFGLXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000926582544 638787681 /nfs/dbraw/zinc/78/76/81/638787681.db2.gz AFDQRHSYHZVGHU-RWMBFGLXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805447 638814242 /nfs/dbraw/zinc/81/42/42/638814242.db2.gz UKPLTQRXKAIFFC-BFYDXBDKSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805447 638814244 /nfs/dbraw/zinc/81/42/44/638814244.db2.gz UKPLTQRXKAIFFC-BFYDXBDKSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929722361 638945460 /nfs/dbraw/zinc/94/54/60/638945460.db2.gz MIHVCBWKXQCXHW-UKRRQHHQSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000929722361 638945461 /nfs/dbraw/zinc/94/54/61/638945461.db2.gz MIHVCBWKXQCXHW-UKRRQHHQSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000929722361 638945462 /nfs/dbraw/zinc/94/54/62/638945462.db2.gz MIHVCBWKXQCXHW-UKRRQHHQSA-N 2 2 279.403 3.088 20 0 CGADLP C[C@H](c1ccc(F)nc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000929722361 638945463 /nfs/dbraw/zinc/94/54/63/638945463.db2.gz MIHVCBWKXQCXHW-UKRRQHHQSA-N 2 2 279.403 3.088 20 0 CGADLP COc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000931700155 639191826 /nfs/dbraw/zinc/19/18/26/639191826.db2.gz LHYDTZKBYBCSFM-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP C[NH+]1CCN(c2cccc3[nH+]c([C@@H]4CC=CCC4)[nH]c32)CC1 ZINC001250416636 805601654 /nfs/dbraw/zinc/60/16/54/805601654.db2.gz IINFJJSSWRDQHY-CQSZACIVSA-N 2 2 296.418 3.138 20 0 CGADLP Cc1nc(N(CC(C)(C)C)C2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC001157891741 805899466 /nfs/dbraw/zinc/89/94/66/805899466.db2.gz OQAFXHTWYKFMFY-UHFFFAOYSA-N 2 2 290.455 3.006 20 0 CGADLP c1c[nH+]c(Nc2cccc(N3CC[NH2+]CC3)c2)c(C2CC2)c1 ZINC001159366110 806087734 /nfs/dbraw/zinc/08/77/34/806087734.db2.gz SOXDHKDXBASWJO-UHFFFAOYSA-N 2 2 294.402 3.112 20 0 CGADLP c1c[nH+]c(N2CCCC2)c(Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001159615357 806133444 /nfs/dbraw/zinc/13/34/44/806133444.db2.gz DMWYDRGCVZFVDY-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP Cc1cc(C)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c[nH+]1 ZINC001159924659 806200491 /nfs/dbraw/zinc/20/04/91/806200491.db2.gz VUZQTVINVIKUFY-MRXNPFEDSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]c1C ZINC001161187077 806356579 /nfs/dbraw/zinc/35/65/79/806356579.db2.gz XYCMZVSUTNONME-INIZCTEOSA-N 2 2 273.424 3.375 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]c1C ZINC001161187077 806356587 /nfs/dbraw/zinc/35/65/87/806356587.db2.gz XYCMZVSUTNONME-INIZCTEOSA-N 2 2 273.424 3.375 20 0 CGADLP Cc1[nH+]cn(C2CCC(F)(F)CC2)c1CSCC[NH3+] ZINC001254211104 806365900 /nfs/dbraw/zinc/36/59/00/806365900.db2.gz JMJCGFZPSRUFJH-UHFFFAOYSA-N 2 2 289.395 3.134 20 0 CGADLP FC1(F)CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001254226121 806373815 /nfs/dbraw/zinc/37/38/15/806373815.db2.gz TUNSGJZGTXSDJP-UHFFFAOYSA-N 2 2 295.377 3.218 20 0 CGADLP [NH3+]C1(CC2CCC2)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001161578084 806395324 /nfs/dbraw/zinc/39/53/24/806395324.db2.gz ZWTWOEIMRITENT-UHFFFAOYSA-N 2 2 285.435 3.447 20 0 CGADLP c1cn2cc(C[NH2+]C3CCC4(CC4)CC3)ccc2[nH+]1 ZINC001254440776 806399668 /nfs/dbraw/zinc/39/96/68/806399668.db2.gz ZMKUBKSDQJDNTP-UHFFFAOYSA-N 2 2 255.365 3.147 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001254449607 806403827 /nfs/dbraw/zinc/40/38/27/806403827.db2.gz YVEPLICJPQUZIZ-SFHVURJKSA-N 2 2 272.436 3.008 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001254449607 806403834 /nfs/dbraw/zinc/40/38/34/806403834.db2.gz YVEPLICJPQUZIZ-SFHVURJKSA-N 2 2 272.436 3.008 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC001254503649 806423450 /nfs/dbraw/zinc/42/34/50/806423450.db2.gz OFYUHHGDPHOKAV-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC001254503649 806423452 /nfs/dbraw/zinc/42/34/52/806423452.db2.gz OFYUHHGDPHOKAV-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001254504846 806425694 /nfs/dbraw/zinc/42/56/94/806425694.db2.gz XTHFDBRIJPDYAZ-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC1 ZINC001254504846 806425698 /nfs/dbraw/zinc/42/56/98/806425698.db2.gz XTHFDBRIJPDYAZ-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH+](C)CC1 ZINC001254520635 806435800 /nfs/dbraw/zinc/43/58/00/806435800.db2.gz OVYXFMFXGXVFAG-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH+](C)CC1 ZINC001254520635 806435804 /nfs/dbraw/zinc/43/58/04/806435804.db2.gz OVYXFMFXGXVFAG-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254520635 806435808 /nfs/dbraw/zinc/43/58/08/806435808.db2.gz OVYXFMFXGXVFAG-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](Cc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254520635 806435811 /nfs/dbraw/zinc/43/58/11/806435811.db2.gz OVYXFMFXGXVFAG-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525863 806439823 /nfs/dbraw/zinc/43/98/23/806439823.db2.gz NODBFUVEPJUYAY-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525863 806439825 /nfs/dbraw/zinc/43/98/25/806439825.db2.gz NODBFUVEPJUYAY-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525863 806439829 /nfs/dbraw/zinc/43/98/29/806439829.db2.gz NODBFUVEPJUYAY-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001254525863 806439831 /nfs/dbraw/zinc/43/98/31/806439831.db2.gz NODBFUVEPJUYAY-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP CCC1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254835669 806493336 /nfs/dbraw/zinc/49/33/36/806493336.db2.gz IFBKIJYYZLUBRP-AVVWSFFYSA-N 2 2 250.430 3.029 20 0 CGADLP C1C[NH+]2CCC1C[C@@H]([NH2+]C13CC4CC(CC(C4)C1)C3)C2 ZINC001254836134 806493590 /nfs/dbraw/zinc/49/35/90/806493590.db2.gz JUWJAAPKBCSENJ-AWDGRILASA-N 2 2 274.452 3.029 20 0 CGADLP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254836558 806493610 /nfs/dbraw/zinc/49/36/10/806493610.db2.gz MUTICKPRDOMOCX-QGZVFWFLSA-N 2 2 270.420 3.138 20 0 CGADLP C1C[NH+]2CCC1C[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC001254840699 806494146 /nfs/dbraw/zinc/49/41/46/806494146.db2.gz MCOJRZPKEXOJOI-MRXNPFEDSA-N 2 2 250.430 3.173 20 0 CGADLP CCCC[C@H](CC)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841529 806495753 /nfs/dbraw/zinc/49/57/53/806495753.db2.gz XYDUGSDBNVDAEO-GOEBONIOSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c(C)c1 ZINC001254847767 806496967 /nfs/dbraw/zinc/49/69/67/806496967.db2.gz KUVDCWRONPKIOW-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254848225 806497768 /nfs/dbraw/zinc/49/77/68/806497768.db2.gz NHWRSYBDUZWISS-QAPCUYQASA-N 2 2 272.436 3.438 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254865516 806503118 /nfs/dbraw/zinc/50/31/18/806503118.db2.gz ZZOIHCXOAPIMNB-IEBWSBKVSA-N 2 2 284.447 3.480 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254865516 806503122 /nfs/dbraw/zinc/50/31/22/806503122.db2.gz ZZOIHCXOAPIMNB-IEBWSBKVSA-N 2 2 284.447 3.480 20 0 CGADLP CC(C)Oc1ccc[nH+]c1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162816302 806669836 /nfs/dbraw/zinc/66/98/36/806669836.db2.gz XYCNJYSWJZILIA-UHFFFAOYSA-N 2 2 297.402 3.127 20 0 CGADLP CCCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037320103 798866424 /nfs/dbraw/zinc/86/64/24/798866424.db2.gz SYSMPSPXUPYQCZ-KBPBESRZSA-N 2 2 251.418 3.466 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028749 798885233 /nfs/dbraw/zinc/88/52/33/798885233.db2.gz UORACLZWSFONFI-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP CSCc1cc[nH+]c(NC2CCC(C[NH+](C)C)CC2)c1 ZINC000091670726 798955540 /nfs/dbraw/zinc/95/55/40/798955540.db2.gz ITLHFNRXIXFHDG-UHFFFAOYSA-N 2 2 293.480 3.477 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001255736832 806727765 /nfs/dbraw/zinc/72/77/65/806727765.db2.gz DAPUQICCQLVYGC-ZDUSSCGKSA-N 2 2 296.455 3.332 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC000328376198 799252089 /nfs/dbraw/zinc/25/20/89/799252089.db2.gz UAWPSIQUIISKPW-DZGCQCFKSA-N 2 2 280.843 3.345 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC000328376198 799252098 /nfs/dbraw/zinc/25/20/98/799252098.db2.gz UAWPSIQUIISKPW-DZGCQCFKSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+](CCNc1cc[nH+]c2c(OC)cccc12)C1CC1 ZINC000357257457 799335512 /nfs/dbraw/zinc/33/55/12/799335512.db2.gz BLTPQWXDLBKDNA-UHFFFAOYSA-N 2 2 285.391 3.140 20 0 CGADLP CC[N@@H+](CCNc1cc[nH+]c2c(OC)cccc12)C1CC1 ZINC000357257457 799335518 /nfs/dbraw/zinc/33/55/18/799335518.db2.gz BLTPQWXDLBKDNA-UHFFFAOYSA-N 2 2 285.391 3.140 20 0 CGADLP CSc1cc[nH+]c(NC2CCC(C[NH+](C)C)CC2)c1 ZINC001163301847 806738097 /nfs/dbraw/zinc/73/80/97/806738097.db2.gz RIGBAKIGEVAVPC-UHFFFAOYSA-N 2 2 279.453 3.336 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826805 799367528 /nfs/dbraw/zinc/36/75/28/799367528.db2.gz NXSDOGJAANQGLO-RKDXNWHRSA-N 2 2 261.196 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000380826805 799367533 /nfs/dbraw/zinc/36/75/33/799367533.db2.gz NXSDOGJAANQGLO-RKDXNWHRSA-N 2 2 261.196 3.333 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000387563607 799447930 /nfs/dbraw/zinc/44/79/30/799447930.db2.gz YRLDCUMANTXNGZ-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCCCC1 ZINC000695964439 799837660 /nfs/dbraw/zinc/83/76/60/799837660.db2.gz OGVHEJOVSHGVAC-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)cc2)c[nH+]1 ZINC000697984595 799851851 /nfs/dbraw/zinc/85/18/51/799851851.db2.gz VHHKBUGLKFXWJW-MUJYYYPQSA-N 2 2 267.376 3.008 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc2ccccc2cn1 ZINC001255946760 806792841 /nfs/dbraw/zinc/79/28/41/806792841.db2.gz ZDYHQALINURTJN-OAHLLOKOSA-N 2 2 285.435 3.445 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1noc2ccccc12 ZINC001255951232 806795198 /nfs/dbraw/zinc/79/51/98/806795198.db2.gz OIVKUKPDTQKNDZ-CYBMUJFWSA-N 2 2 275.396 3.038 20 0 CGADLP Fc1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256067378 806809983 /nfs/dbraw/zinc/80/99/83/806809983.db2.gz MOGZUEFTPLSVRB-UHFFFAOYSA-N 2 2 282.790 3.196 20 0 CGADLP CCC[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)C1CCC1 ZINC000722396532 800322766 /nfs/dbraw/zinc/32/27/66/800322766.db2.gz QUKJNIYZMHLHCS-CQSZACIVSA-N 2 2 281.469 3.263 20 0 CGADLP COc1cccc(C[C@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)c1 ZINC001256168961 806842939 /nfs/dbraw/zinc/84/29/39/806842939.db2.gz XBMJFJNKBFVFND-GOEBONIOSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)c1 ZINC001256202357 806849591 /nfs/dbraw/zinc/84/95/91/806849591.db2.gz WJJQSHKANWAXMD-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)c1 ZINC001256202357 806849599 /nfs/dbraw/zinc/84/95/99/806849599.db2.gz WJJQSHKANWAXMD-QGZVFWFLSA-N 2 2 258.409 3.226 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(N(CCC[NH3+])C(C)C)c1 ZINC001164128638 806897649 /nfs/dbraw/zinc/89/76/49/806897649.db2.gz ACLNLHPURJCEBG-UHFFFAOYSA-N 2 2 277.456 3.405 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC001119661609 802689062 /nfs/dbraw/zinc/68/90/62/802689062.db2.gz QXKQFBOTGCKPLB-UHFFFAOYSA-N 2 2 282.472 3.139 20 0 CGADLP Cc1[nH+]ccn1CCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001120954329 802797054 /nfs/dbraw/zinc/79/70/54/802797054.db2.gz WLONYWJYQQTKPG-UHFFFAOYSA-N 2 2 295.390 3.059 20 0 CGADLP Cc1[nH+]cc2n1CCN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001165385038 807000266 /nfs/dbraw/zinc/00/02/66/807000266.db2.gz MJJLLFMKZILPER-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP C[NH+](C)CCCOc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001245337160 803702554 /nfs/dbraw/zinc/70/25/54/803702554.db2.gz YIXOPJGOIMLNMN-UHFFFAOYSA-N 2 2 295.386 3.332 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c[nH+]c1N ZINC001245539883 803797926 /nfs/dbraw/zinc/79/79/26/803797926.db2.gz YGDYWKHCDIKLQJ-AWEZNQCLSA-N 2 2 296.418 3.409 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)c[nH+]c1N ZINC001245539883 803797934 /nfs/dbraw/zinc/79/79/34/803797934.db2.gz YGDYWKHCDIKLQJ-AWEZNQCLSA-N 2 2 296.418 3.409 20 0 CGADLP C[NH+](C)Cc1c(F)cc(-c2ccc3c[nH+]cn3c2)cc1F ZINC001245899380 804029532 /nfs/dbraw/zinc/02/95/32/804029532.db2.gz GMPSDOMMAGNUCT-UHFFFAOYSA-N 2 2 287.313 3.341 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccnc1F ZINC001138794390 804041482 /nfs/dbraw/zinc/04/14/82/804041482.db2.gz UPCFEHOLSZEXEG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccnc1F ZINC001138794390 804041496 /nfs/dbraw/zinc/04/14/96/804041496.db2.gz UPCFEHOLSZEXEG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccnc1F ZINC001138794390 804041506 /nfs/dbraw/zinc/04/15/06/804041506.db2.gz UPCFEHOLSZEXEG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccnc1F ZINC001138794390 804041516 /nfs/dbraw/zinc/04/15/16/804041516.db2.gz UPCFEHOLSZEXEG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccncc1 ZINC001246075673 804114250 /nfs/dbraw/zinc/11/42/50/804114250.db2.gz KFXFNQVWYKRKAT-AYBZRNKSSA-N 2 2 295.430 3.210 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246097828 804129796 /nfs/dbraw/zinc/12/97/96/804129796.db2.gz NLVHMSPZWCDOIF-ZFWWWQNUSA-N 2 2 282.378 3.221 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246113169 804145089 /nfs/dbraw/zinc/14/50/89/804145089.db2.gz SMBSCTOWGHFKMX-KKUMJFAQSA-N 2 2 268.420 3.169 20 0 CGADLP CC(C)[N@H+](Cc1ccc2c(ccn2C)c1)C1CC[NH+](C)CC1 ZINC001139189977 804153820 /nfs/dbraw/zinc/15/38/20/804153820.db2.gz AFUJWJWYYFJXEN-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2c(ccn2C)c1)C1CC[NH+](C)CC1 ZINC001139189977 804153823 /nfs/dbraw/zinc/15/38/23/804153823.db2.gz AFUJWJWYYFJXEN-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246135818 804160159 /nfs/dbraw/zinc/16/01/59/804160159.db2.gz VQTYBHMJEGVOLL-SMDDNHRTSA-N 2 2 296.867 3.162 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246157754 804174021 /nfs/dbraw/zinc/17/40/21/804174021.db2.gz DKRUTAGRZIMPIW-GJZGRUSLSA-N 2 2 282.378 3.365 20 0 CGADLP c1ccc(Oc2ccc(CC[NH2+][C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246159221 804175295 /nfs/dbraw/zinc/17/52/95/804175295.db2.gz OBMPPEAEVYDSSP-KRWDZBQOSA-N 2 2 296.414 3.363 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246168683 804183952 /nfs/dbraw/zinc/18/39/52/804183952.db2.gz FJEDFKLXNPQEIU-LJQANCHMSA-N 2 2 298.405 3.062 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C[NH2+]1 ZINC001246176684 804190835 /nfs/dbraw/zinc/19/08/35/804190835.db2.gz QSNJBROQXWECKB-GUYCJALGSA-N 2 2 284.378 3.333 20 0 CGADLP CCCCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246177114 804191351 /nfs/dbraw/zinc/19/13/51/804191351.db2.gz HGHWSAJAZGRNSY-RHSMWYFYSA-N 2 2 260.425 3.259 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246182148 804195710 /nfs/dbraw/zinc/19/57/10/804195710.db2.gz YGRHOCSRLRJPMF-GDBMZVCRSA-N 2 2 258.409 3.186 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246191095 804200133 /nfs/dbraw/zinc/20/01/33/804200133.db2.gz UBBIDVVELPEFBL-DOMZBBRYSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2ccc(Cl)cc2)C[NH2+]1 ZINC001246194955 804201926 /nfs/dbraw/zinc/20/19/26/804201926.db2.gz KVBALQCRKUIFOS-SMDDNHRTSA-N 2 2 266.816 3.305 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246226722 804220149 /nfs/dbraw/zinc/22/01/49/804220149.db2.gz TXRREQCAZSAILE-WDEREUQCSA-N 2 2 288.769 3.238 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2Cl)CC[NH2+]1 ZINC001246236789 804229148 /nfs/dbraw/zinc/22/91/48/804229148.db2.gz YYCURHHEWJXNMB-TZMCWYRMSA-N 2 2 284.806 3.345 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246272097 804249646 /nfs/dbraw/zinc/24/96/46/804249646.db2.gz KZYDDVCEELZVPI-HZPDHXFCSA-N 2 2 264.388 3.255 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246294809 804263730 /nfs/dbraw/zinc/26/37/30/804263730.db2.gz NCXLGLZFHGNACI-YESZJQIVSA-N 2 2 284.488 3.482 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2cccc(Cl)c2)C[NH2+]1 ZINC001246312542 804272978 /nfs/dbraw/zinc/27/29/78/804272978.db2.gz SKLSGEGKVWCYBD-SMDDNHRTSA-N 2 2 266.816 3.305 20 0 CGADLP Fc1cccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCCCC2)c1 ZINC001246319945 804278439 /nfs/dbraw/zinc/27/84/39/804278439.db2.gz XPUJFYCESRJPJL-INIZCTEOSA-N 2 2 276.399 3.327 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246324613 804283198 /nfs/dbraw/zinc/28/31/98/804283198.db2.gz GDOCYJPQGPCSLE-GDBMZVCRSA-N 2 2 292.492 3.453 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246375696 804309114 /nfs/dbraw/zinc/30/91/14/804309114.db2.gz KEWKZNZXIHILDQ-CQSZACIVSA-N 2 2 298.352 3.426 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883175 804312226 /nfs/dbraw/zinc/31/22/26/804312226.db2.gz FWLZHFSSLAUKLJ-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883175 804312255 /nfs/dbraw/zinc/31/22/55/804312255.db2.gz FWLZHFSSLAUKLJ-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)C[NH2+]1 ZINC001246412388 804326036 /nfs/dbraw/zinc/32/60/36/804326036.db2.gz KKQGAGZZMMSBMG-VZJVUDMVSA-N 2 2 298.352 3.423 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246477122 804352147 /nfs/dbraw/zinc/35/21/47/804352147.db2.gz VXVJCZNQWHIIAM-OIISXLGYSA-N 2 2 260.425 3.485 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C[NH2+]1 ZINC001246503120 804363482 /nfs/dbraw/zinc/36/34/82/804363482.db2.gz YDIFMDMNPQRMDB-BFQNTYOBSA-N 2 2 278.827 3.448 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506739 804365801 /nfs/dbraw/zinc/36/58/01/804365801.db2.gz JKUVCSRRTPBRHR-MELADBBJSA-N 2 2 286.341 3.397 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001246544386 804393520 /nfs/dbraw/zinc/39/35/20/804393520.db2.gz VJTLXFWWVURODV-GXTWGEPZSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001246544386 804393529 /nfs/dbraw/zinc/39/35/29/804393529.db2.gz VJTLXFWWVURODV-GXTWGEPZSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559357 804408366 /nfs/dbraw/zinc/40/83/66/804408366.db2.gz PGGHBRTXEXJLNW-TZMCWYRMSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559357 804408367 /nfs/dbraw/zinc/40/83/67/804408367.db2.gz PGGHBRTXEXJLNW-TZMCWYRMSA-N 2 2 282.428 3.120 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246570449 804417122 /nfs/dbraw/zinc/41/71/22/804417122.db2.gz INXOKRBKCFUTSV-AEFFLSMTSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246570449 804417124 /nfs/dbraw/zinc/41/71/24/804417124.db2.gz INXOKRBKCFUTSV-AEFFLSMTSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246573493 804420951 /nfs/dbraw/zinc/42/09/51/804420951.db2.gz CYTPJTFFBZLLMJ-NVXWUHKLSA-N 2 2 278.415 3.079 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001246573493 804420952 /nfs/dbraw/zinc/42/09/52/804420952.db2.gz CYTPJTFFBZLLMJ-NVXWUHKLSA-N 2 2 278.415 3.079 20 0 CGADLP CC(C)CCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585255 804428679 /nfs/dbraw/zinc/42/86/79/804428679.db2.gz ZQQYNIPXPUCIJK-CABCVRRESA-N 2 2 258.425 3.354 20 0 CGADLP CC(C)CCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585255 804428682 /nfs/dbraw/zinc/42/86/82/804428682.db2.gz ZQQYNIPXPUCIJK-CABCVRRESA-N 2 2 258.425 3.354 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596025 804436556 /nfs/dbraw/zinc/43/65/56/804436556.db2.gz YOELQJCFLCWNBL-DFBGVHRSSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596025 804436560 /nfs/dbraw/zinc/43/65/60/804436560.db2.gz YOELQJCFLCWNBL-DFBGVHRSSA-N 2 2 284.806 3.032 20 0 CGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)ccc1O ZINC001140573108 804463017 /nfs/dbraw/zinc/46/30/17/804463017.db2.gz FQZMCVVBZAMLIT-UHFFFAOYSA-N 2 2 298.386 3.139 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)C[NH2+]1 ZINC001246646646 804473385 /nfs/dbraw/zinc/47/33/85/804473385.db2.gz GNAXFSVHCMRMOP-DOTOQJQBSA-N 2 2 282.431 3.188 20 0 CGADLP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2C[NH2+][C@H](C)C2)CC1 ZINC001246745768 804500986 /nfs/dbraw/zinc/50/09/86/804500986.db2.gz GDYOIZAGYIPGIE-NVXWUHKLSA-N 2 2 284.447 3.025 20 0 CGADLP Fc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805044 804524525 /nfs/dbraw/zinc/52/45/25/804524525.db2.gz PQVFKLLWPDJOHL-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805044 804524528 /nfs/dbraw/zinc/52/45/28/804524528.db2.gz PQVFKLLWPDJOHL-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819542 804533099 /nfs/dbraw/zinc/53/30/99/804533099.db2.gz JOFARLUDKXLRIU-FZKCQIBNSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC[NH2+]1 ZINC001246819542 804533102 /nfs/dbraw/zinc/53/31/02/804533102.db2.gz JOFARLUDKXLRIU-FZKCQIBNSA-N 2 2 264.457 3.418 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830310 804540331 /nfs/dbraw/zinc/54/03/31/804540331.db2.gz TVDDSLYKWXXOQM-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830310 804540340 /nfs/dbraw/zinc/54/03/40/804540340.db2.gz TVDDSLYKWXXOQM-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851607 804561946 /nfs/dbraw/zinc/56/19/46/804561946.db2.gz MCYVOLSPWIUKEL-INWMFGNUSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001246851607 804561949 /nfs/dbraw/zinc/56/19/49/804561949.db2.gz MCYVOLSPWIUKEL-INWMFGNUSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC001246871346 804573334 /nfs/dbraw/zinc/57/33/34/804573334.db2.gz QMSXRLOKJHSGBR-BBRMVZONSA-N 2 2 292.854 3.444 20 0 CGADLP C[C@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC001246871346 804573338 /nfs/dbraw/zinc/57/33/38/804573338.db2.gz QMSXRLOKJHSGBR-BBRMVZONSA-N 2 2 292.854 3.444 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882515 804577825 /nfs/dbraw/zinc/57/78/25/804577825.db2.gz RMFNWYGRIXZBRB-SUNKGSAMSA-N 2 2 284.856 3.100 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246882515 804577826 /nfs/dbraw/zinc/57/78/26/804577826.db2.gz RMFNWYGRIXZBRB-SUNKGSAMSA-N 2 2 284.856 3.100 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)cc2[nH+]1 ZINC001141046202 804578818 /nfs/dbraw/zinc/57/88/18/804578818.db2.gz QMYZPTFJOQKMOB-HOTGVXAUSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cc2[nH+]1 ZINC001141046202 804578821 /nfs/dbraw/zinc/57/88/21/804578821.db2.gz QMYZPTFJOQKMOB-HOTGVXAUSA-N 2 2 269.392 3.489 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887979 804581259 /nfs/dbraw/zinc/58/12/59/804581259.db2.gz RRMPKJMWGXUNAN-AXAPSJFSSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887979 804581262 /nfs/dbraw/zinc/58/12/62/804581262.db2.gz RRMPKJMWGXUNAN-AXAPSJFSSA-N 2 2 280.362 3.242 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001246901804 804587966 /nfs/dbraw/zinc/58/79/66/804587966.db2.gz OZDLWVOLXRBAMX-FZMZJTMJSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001246901804 804587969 /nfs/dbraw/zinc/58/79/69/804587969.db2.gz OZDLWVOLXRBAMX-FZMZJTMJSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905793 804590266 /nfs/dbraw/zinc/59/02/66/804590266.db2.gz BNURKFRMSIDHOV-ZIAGYGMSSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+](CC)Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246905793 804590271 /nfs/dbraw/zinc/59/02/71/804590271.db2.gz BNURKFRMSIDHOV-ZIAGYGMSSA-N 2 2 282.378 3.317 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246918144 804598250 /nfs/dbraw/zinc/59/82/50/804598250.db2.gz WPKZOOJRBGHMRU-CHWSQXEVSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246918144 804598255 /nfs/dbraw/zinc/59/82/55/804598255.db2.gz WPKZOOJRBGHMRU-CHWSQXEVSA-N 2 2 299.245 3.274 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923341 804601631 /nfs/dbraw/zinc/60/16/31/804601631.db2.gz WBJQEJZKZYMEIS-XBFCOCLRSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923341 804601634 /nfs/dbraw/zinc/60/16/34/804601634.db2.gz WBJQEJZKZYMEIS-XBFCOCLRSA-N 2 2 290.373 3.324 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cc1F ZINC001141195287 804607764 /nfs/dbraw/zinc/60/77/64/804607764.db2.gz HQOJOBRGWTXUME-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1F ZINC001141195287 804607767 /nfs/dbraw/zinc/60/77/67/804607767.db2.gz HQOJOBRGWTXUME-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959122 804617433 /nfs/dbraw/zinc/61/74/33/804617433.db2.gz FCYIEASGBFFJBD-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959122 804617437 /nfs/dbraw/zinc/61/74/37/804617437.db2.gz FCYIEASGBFFJBD-NXHRZFHOSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H](CC(C)C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953594 804617938 /nfs/dbraw/zinc/61/79/38/804617938.db2.gz RYNRKMMUUPGDKZ-MSOLQXFVSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246953594 804617944 /nfs/dbraw/zinc/61/79/44/804617944.db2.gz RYNRKMMUUPGDKZ-MSOLQXFVSA-N 2 2 289.467 3.460 20 0 CGADLP CCC[C@H](CC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966457 804620854 /nfs/dbraw/zinc/62/08/54/804620854.db2.gz XQXTWRLWXLOICB-IRXDYDNUSA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@H](CC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966457 804620857 /nfs/dbraw/zinc/62/08/57/804620857.db2.gz XQXTWRLWXLOICB-IRXDYDNUSA-N 2 2 275.440 3.214 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237428 804621136 /nfs/dbraw/zinc/62/11/36/804621136.db2.gz UDCBRRBFJXCPSP-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237428 804621138 /nfs/dbraw/zinc/62/11/38/804621138.db2.gz UDCBRRBFJXCPSP-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237428 804621141 /nfs/dbraw/zinc/62/11/41/804621141.db2.gz UDCBRRBFJXCPSP-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237428 804621144 /nfs/dbraw/zinc/62/11/44/804621144.db2.gz UDCBRRBFJXCPSP-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(F)cc2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c21 ZINC001247007807 804637876 /nfs/dbraw/zinc/63/78/76/804637876.db2.gz GDVPJROWXDBJPS-UHFFFAOYSA-N 2 2 273.355 3.258 20 0 CGADLP Cc1ccc2[nH]c(C3CC4(C3)CC[NH2+]CC4)[nH+]c2c1C ZINC001247015328 804642807 /nfs/dbraw/zinc/64/28/07/804642807.db2.gz VSIZEXBKFHMANJ-UHFFFAOYSA-N 2 2 269.392 3.427 20 0 CGADLP Cc1ccc2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c2c1C ZINC001247015328 804642810 /nfs/dbraw/zinc/64/28/10/804642810.db2.gz VSIZEXBKFHMANJ-UHFFFAOYSA-N 2 2 269.392 3.427 20 0 CGADLP CC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CC[NH+](C)CC1 ZINC001141478645 804645079 /nfs/dbraw/zinc/64/50/79/804645079.db2.gz JWVUYTVGSQSICI-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@@H+](Cc1ccc2nc(C)ccc2c1)C1CC[NH+](C)CC1 ZINC001141478645 804645082 /nfs/dbraw/zinc/64/50/82/804645082.db2.gz JWVUYTVGSQSICI-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP Cn1c(CCC[NH3+])[nH+]c2cc(OCc3ccccc3)ccc21 ZINC001247042567 804649391 /nfs/dbraw/zinc/64/93/91/804649391.db2.gz KOUURDBUFDMBSF-UHFFFAOYSA-N 2 2 295.386 3.044 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856662 804675404 /nfs/dbraw/zinc/67/54/04/804675404.db2.gz KWLAZGKCAFRGTO-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856662 804675409 /nfs/dbraw/zinc/67/54/09/804675409.db2.gz KWLAZGKCAFRGTO-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856662 804675411 /nfs/dbraw/zinc/67/54/11/804675411.db2.gz KWLAZGKCAFRGTO-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3coc4ccc(F)cc34)C2)C1 ZINC001141856662 804675416 /nfs/dbraw/zinc/67/54/16/804675416.db2.gz KWLAZGKCAFRGTO-QGZVFWFLSA-N 2 2 288.366 3.100 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001143607804 804875874 /nfs/dbraw/zinc/87/58/74/804875874.db2.gz WSVSRTZQBCIAMX-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001143607804 804875878 /nfs/dbraw/zinc/87/58/78/804875878.db2.gz WSVSRTZQBCIAMX-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC(C)[N@H+](Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001144721614 805041896 /nfs/dbraw/zinc/04/18/96/805041896.db2.gz VPZBTJZPUZDYGU-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001144721614 805041906 /nfs/dbraw/zinc/04/19/06/805041906.db2.gz VPZBTJZPUZDYGU-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP Cc1cc2ccccc2nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155054259 805529120 /nfs/dbraw/zinc/52/91/20/805529120.db2.gz WAPDIFYOYQCMJQ-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001257214837 807062617 /nfs/dbraw/zinc/06/26/17/807062617.db2.gz MXYQNEWOEKGEIP-UHFFFAOYSA-N 2 2 268.420 3.073 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257213957 807062715 /nfs/dbraw/zinc/06/27/15/807062715.db2.gz XOSMXBKTVJBQRO-ZDUSSCGKSA-N 2 2 294.414 3.358 20 0 CGADLP CCCC[C@@H](CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001257425603 807149576 /nfs/dbraw/zinc/14/95/76/807149576.db2.gz VLBYOXWGGCTSHO-QGZVFWFLSA-N 3 2 285.520 3.161 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257821929 807222718 /nfs/dbraw/zinc/22/27/18/807222718.db2.gz RDYKYVQHSOBZRF-ZLPCBKJTSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1c[nH+]cc(NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001167751979 807240931 /nfs/dbraw/zinc/24/09/31/807240931.db2.gz AHSFEEYJCSNMIK-AWEZNQCLSA-N 2 2 261.413 3.375 20 0 CGADLP Cc1c[nH+]cc(NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001167751979 807240934 /nfs/dbraw/zinc/24/09/34/807240934.db2.gz AHSFEEYJCSNMIK-AWEZNQCLSA-N 2 2 261.413 3.375 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnoc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012617 807299937 /nfs/dbraw/zinc/29/99/37/807299937.db2.gz DCGLIYAEVLIAOX-JLVBRIDZSA-N 2 2 299.418 3.206 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnoc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012617 807299943 /nfs/dbraw/zinc/29/99/43/807299943.db2.gz DCGLIYAEVLIAOX-JLVBRIDZSA-N 2 2 299.418 3.206 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001168438370 807414432 /nfs/dbraw/zinc/41/44/32/807414432.db2.gz AIUSHWZUZMAFNO-NVXWUHKLSA-N 2 2 299.393 3.219 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001168498499 807436316 /nfs/dbraw/zinc/43/63/16/807436316.db2.gz SFAGSGJPGDJDRA-DZGCQCFKSA-N 2 2 287.382 3.293 20 0 CGADLP Cc1c[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c2[nH]ccc21 ZINC001168544279 807441544 /nfs/dbraw/zinc/44/15/44/807441544.db2.gz HSVHSBUJJMOOGA-ZDUSSCGKSA-N 2 2 292.386 3.455 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743204 807502624 /nfs/dbraw/zinc/50/26/24/807502624.db2.gz JXNOJHKXKJGKQC-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743204 807502633 /nfs/dbraw/zinc/50/26/33/807502633.db2.gz JXNOJHKXKJGKQC-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001258648487 807520569 /nfs/dbraw/zinc/52/05/69/807520569.db2.gz CHMIZLVPXHVABS-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001258648487 807520573 /nfs/dbraw/zinc/52/05/73/807520573.db2.gz CHMIZLVPXHVABS-MSOLQXFVSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258649582 807521981 /nfs/dbraw/zinc/52/19/81/807521981.db2.gz LGAVKPQCBWCGNR-WMZOPIPTSA-N 2 2 274.452 3.472 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701038 807554718 /nfs/dbraw/zinc/55/47/18/807554718.db2.gz CADVAFOIKOEPCZ-FXUDXRNXSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701038 807554722 /nfs/dbraw/zinc/55/47/22/807554722.db2.gz CADVAFOIKOEPCZ-FXUDXRNXSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701038 807554728 /nfs/dbraw/zinc/55/47/28/807554728.db2.gz CADVAFOIKOEPCZ-FXUDXRNXSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC(C)(C)C1 ZINC001258701038 807554731 /nfs/dbraw/zinc/55/47/31/807554731.db2.gz CADVAFOIKOEPCZ-FXUDXRNXSA-N 2 2 264.457 3.227 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3F)CC1)C2 ZINC001169107990 807578303 /nfs/dbraw/zinc/57/83/03/807578303.db2.gz MJPBSVSFSJFPHA-ZSOGYDGISA-N 2 2 292.373 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3F)CC1)C2 ZINC001169107990 807578306 /nfs/dbraw/zinc/57/83/06/807578306.db2.gz MJPBSVSFSJFPHA-ZSOGYDGISA-N 2 2 292.373 3.169 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(F)ccc1F ZINC001169117333 807583567 /nfs/dbraw/zinc/58/35/67/807583567.db2.gz YRUNZDLVPFDMHV-DEQVHRJGSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(F)ccc1F ZINC001169117333 807583569 /nfs/dbraw/zinc/58/35/69/807583569.db2.gz YRUNZDLVPFDMHV-DEQVHRJGSA-N 2 2 280.362 3.241 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125256 807585143 /nfs/dbraw/zinc/58/51/43/807585143.db2.gz XJLYGLCHNGFQOG-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125256 807585145 /nfs/dbraw/zinc/58/51/45/807585145.db2.gz XJLYGLCHNGFQOG-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1cccc(Cl)c1 ZINC001258751915 807594442 /nfs/dbraw/zinc/59/44/42/807594442.db2.gz XJFCWNSRPGDEOV-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1cccc(Cl)c1 ZINC001258751915 807594444 /nfs/dbraw/zinc/59/44/44/807594444.db2.gz XJFCWNSRPGDEOV-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(C)c2F)CC1 ZINC001258768588 807603874 /nfs/dbraw/zinc/60/38/74/807603874.db2.gz SRVKCEYNYMBPBH-UHFFFAOYSA-N 2 2 282.378 3.237 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258783671 807611045 /nfs/dbraw/zinc/61/10/45/807611045.db2.gz HGHZXYZWXPYKSW-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258783671 807611049 /nfs/dbraw/zinc/61/10/49/807611049.db2.gz HGHZXYZWXPYKSW-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]cn([C@H]2CCC[C@@H](C)C2)c1CSCC[NH3+] ZINC001258809679 807629212 /nfs/dbraw/zinc/62/92/12/807629212.db2.gz ZULGCHIYOXGQTF-YPMHNXCESA-N 2 2 267.442 3.135 20 0 CGADLP COc1cc[nH+]cc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169699103 807691162 /nfs/dbraw/zinc/69/11/62/807691162.db2.gz VBFQVZIPSOWBKN-AWEZNQCLSA-N 2 2 283.375 3.330 20 0 CGADLP CCc1cccc(Nc2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC001212805293 815142868 /nfs/dbraw/zinc/14/28/68/815142868.db2.gz WRUINFZZVCQDGP-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP C[NH+]1CC(CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C1 ZINC001170258771 807807645 /nfs/dbraw/zinc/80/76/45/807807645.db2.gz NEINYSREHUWCPD-UHFFFAOYSA-N 2 2 292.386 3.203 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1nc(C(C)(C)C)cs1 ZINC001262202445 807836943 /nfs/dbraw/zinc/83/69/43/807836943.db2.gz UNPFBTOVPRURRD-TUAOUCFPSA-N 2 2 293.480 3.361 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCCCC2 ZINC001262275558 807845617 /nfs/dbraw/zinc/84/56/17/807845617.db2.gz FSDLMQYBGZVWMB-HOTGVXAUSA-N 2 2 291.439 3.244 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+]CC3C[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715893 807882434 /nfs/dbraw/zinc/88/24/34/807882434.db2.gz MPKHZRCTSMTJSU-NNZMDNLPSA-N 2 2 284.447 3.143 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001170716756 807884009 /nfs/dbraw/zinc/88/40/09/807884009.db2.gz WMYJXMDWNLYGAA-ACHSLPGTSA-N 2 2 281.403 3.397 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170892446 807927219 /nfs/dbraw/zinc/92/72/19/807927219.db2.gz GUXAAHDKXCFDSO-GJZGRUSLSA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170892446 807927221 /nfs/dbraw/zinc/92/72/21/807927221.db2.gz GUXAAHDKXCFDSO-GJZGRUSLSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898935 807928084 /nfs/dbraw/zinc/92/80/84/807928084.db2.gz ZMKFMJKZHOWMRK-CABCVRRESA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898935 807928090 /nfs/dbraw/zinc/92/80/90/807928090.db2.gz ZMKFMJKZHOWMRK-CABCVRRESA-N 2 2 292.854 3.270 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170949519 807943437 /nfs/dbraw/zinc/94/34/37/807943437.db2.gz ORVUNTSPYATJKR-HNNXBMFYSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170949519 807943440 /nfs/dbraw/zinc/94/34/40/807943440.db2.gz ORVUNTSPYATJKR-HNNXBMFYSA-N 2 2 278.415 3.005 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171091147 807981300 /nfs/dbraw/zinc/98/13/00/807981300.db2.gz NCDSBTDNZOCKHN-MRXNPFEDSA-N 2 2 289.810 3.074 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171095809 807982731 /nfs/dbraw/zinc/98/27/31/807982731.db2.gz RJTJQCFQKPSJIK-SUMWQHHRSA-N 2 2 292.854 3.271 20 0 CGADLP CCCCC(=O)[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623361 808106875 /nfs/dbraw/zinc/10/68/75/808106875.db2.gz VNEFXYZNVXVKER-ZDUSSCGKSA-N 2 2 282.472 3.375 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001171658022 808114106 /nfs/dbraw/zinc/11/41/06/808114106.db2.gz NGTUWHQVIBDNPQ-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC001171658022 808114110 /nfs/dbraw/zinc/11/41/10/808114110.db2.gz NGTUWHQVIBDNPQ-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230725 808205019 /nfs/dbraw/zinc/20/50/19/808205019.db2.gz BWXUVGWPKCMKOL-AYHJJNSGSA-N 2 2 292.467 3.035 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230725 808205023 /nfs/dbraw/zinc/20/50/23/808205023.db2.gz BWXUVGWPKCMKOL-AYHJJNSGSA-N 2 2 292.467 3.035 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172321594 808230648 /nfs/dbraw/zinc/23/06/48/808230648.db2.gz MBEJRQQSPHPHSG-CVEARBPZSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172321594 808230654 /nfs/dbraw/zinc/23/06/54/808230654.db2.gz MBEJRQQSPHPHSG-CVEARBPZSA-N 2 2 278.440 3.041 20 0 CGADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@@H]1C ZINC001172384781 808276661 /nfs/dbraw/zinc/27/66/61/808276661.db2.gz WRBJQWMISBHDHA-VYDXJSESSA-N 2 2 287.451 3.465 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172392614 808284231 /nfs/dbraw/zinc/28/42/31/808284231.db2.gz FYZXRCZFLMTLTD-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172392614 808284235 /nfs/dbraw/zinc/28/42/35/808284235.db2.gz FYZXRCZFLMTLTD-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](CC(C)C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001172404773 808293248 /nfs/dbraw/zinc/29/32/48/808293248.db2.gz LFUAGOFIFYJGBF-HNNXBMFYSA-N 2 2 291.439 3.037 20 0 CGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3COC[C@H]3[NH3+])CC2)CC1 ZINC001172588800 808397700 /nfs/dbraw/zinc/39/77/00/808397700.db2.gz SWIACMRMAWHIDU-FPPVNLLCSA-N 2 2 294.483 3.077 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001172717291 808417533 /nfs/dbraw/zinc/41/75/33/808417533.db2.gz VQVWUXOBZNSWFT-MRXNPFEDSA-N 2 2 297.789 3.245 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001172833654 808451144 /nfs/dbraw/zinc/45/11/44/808451144.db2.gz AGDWBIFSCMVBGT-GOSISDBHSA-N 2 2 291.398 3.290 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172849053 808461799 /nfs/dbraw/zinc/46/17/99/808461799.db2.gz IYPDIPJBHMCJBF-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172849053 808461803 /nfs/dbraw/zinc/46/18/03/808461803.db2.gz IYPDIPJBHMCJBF-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172854457 808463190 /nfs/dbraw/zinc/46/31/90/808463190.db2.gz NOAGASUXGJIGLR-GFCCVEGCSA-N 2 2 286.822 3.342 20 0 CGADLP CCSC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173300822 808600272 /nfs/dbraw/zinc/60/02/72/808600272.db2.gz NLRBTPQCRJCNLK-CYBMUJFWSA-N 2 2 280.437 3.066 20 0 CGADLP c1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001173883492 808738221 /nfs/dbraw/zinc/73/82/21/808738221.db2.gz LDHZYCHFDNYIOE-UHFFFAOYSA-N 2 2 253.349 3.237 20 0 CGADLP COc1cc(Nc2cc[nH+]c3ccccc23)[nH+]cc1C ZINC001174038011 808835049 /nfs/dbraw/zinc/83/50/49/808835049.db2.gz DDENBVBEOIXBIK-UHFFFAOYSA-N 2 2 265.316 3.112 20 0 CGADLP COc1cc(Nc2cc[nH+]c3ccccc23)cc(C)[nH+]1 ZINC001174038797 808836599 /nfs/dbraw/zinc/83/65/99/808836599.db2.gz ZIDCRKKWZODFPS-UHFFFAOYSA-N 2 2 265.316 3.112 20 0 CGADLP CC[C@H](C)C[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001275061036 808903255 /nfs/dbraw/zinc/90/32/55/808903255.db2.gz AGNMZSXOSDBLKN-ZDUSSCGKSA-N 2 2 292.389 3.383 20 0 CGADLP CC[C@H](C)C[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001275061036 808903257 /nfs/dbraw/zinc/90/32/57/808903257.db2.gz AGNMZSXOSDBLKN-ZDUSSCGKSA-N 2 2 292.389 3.383 20 0 CGADLP COc1ccsc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275451549 808937979 /nfs/dbraw/zinc/93/79/79/808937979.db2.gz OQZQRZXJYHYXJF-MRXNPFEDSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275451549 808937986 /nfs/dbraw/zinc/93/79/86/808937986.db2.gz OQZQRZXJYHYXJF-MRXNPFEDSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275451549 808937993 /nfs/dbraw/zinc/93/79/93/808937993.db2.gz OQZQRZXJYHYXJF-MRXNPFEDSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275451549 808937999 /nfs/dbraw/zinc/93/79/99/808937999.db2.gz OQZQRZXJYHYXJF-MRXNPFEDSA-N 2 2 294.464 3.065 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275855638 808970684 /nfs/dbraw/zinc/97/06/84/808970684.db2.gz OTDNINYDMYOUPP-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275855638 808970687 /nfs/dbraw/zinc/97/06/87/808970687.db2.gz OTDNINYDMYOUPP-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001275855638 808970690 /nfs/dbraw/zinc/97/06/90/808970690.db2.gz OTDNINYDMYOUPP-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001275855638 808970694 /nfs/dbraw/zinc/97/06/94/808970694.db2.gz OTDNINYDMYOUPP-SFHVURJKSA-N 2 2 287.451 3.245 20 0 CGADLP CS[C@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276471530 809011846 /nfs/dbraw/zinc/01/18/46/809011846.db2.gz YNCWUZJXISPKIV-CQSZACIVSA-N 2 2 282.497 3.078 20 0 CGADLP CS[C@H](C)CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276471530 809011854 /nfs/dbraw/zinc/01/18/54/809011854.db2.gz YNCWUZJXISPKIV-CQSZACIVSA-N 2 2 282.497 3.078 20 0 CGADLP Cc1c[nH+]c(NC2=CC[N@H+](Cc3ccccc3)CC2)c(N)c1 ZINC001175505637 809432454 /nfs/dbraw/zinc/43/24/54/809432454.db2.gz XCWHZFKPUYIAHH-UHFFFAOYSA-N 2 2 294.402 3.174 20 0 CGADLP Cc1c[nH+]c(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(N)c1 ZINC001175505637 809432460 /nfs/dbraw/zinc/43/24/60/809432460.db2.gz XCWHZFKPUYIAHH-UHFFFAOYSA-N 2 2 294.402 3.174 20 0 CGADLP CC[NH+](CC)c1ccc(NC2=CCC[N@H+](C)C2)cc1 ZINC001175575959 809457717 /nfs/dbraw/zinc/45/77/17/809457717.db2.gz DZHFJYLPMMJUEH-UHFFFAOYSA-N 2 2 259.397 3.164 20 0 CGADLP CC[NH+](CC)c1ccc(NC2=CCC[N@@H+](C)C2)cc1 ZINC001175575959 809457722 /nfs/dbraw/zinc/45/77/22/809457722.db2.gz DZHFJYLPMMJUEH-UHFFFAOYSA-N 2 2 259.397 3.164 20 0 CGADLP Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)cc(C)[nH+]1 ZINC001176052584 809608719 /nfs/dbraw/zinc/60/87/19/809608719.db2.gz QVRLEBUZHCVYGI-UHFFFAOYSA-N 2 2 282.391 3.249 20 0 CGADLP Cc1cc[nH+]c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176378665 809681652 /nfs/dbraw/zinc/68/16/52/809681652.db2.gz UCXWJCJZOBRAFQ-UHFFFAOYSA-N 2 2 297.402 3.008 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC001177471728 809800152 /nfs/dbraw/zinc/80/01/52/809800152.db2.gz XNDCCELTISSVAN-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC001178640339 809881378 /nfs/dbraw/zinc/88/13/78/809881378.db2.gz QPVBHIOWNTXIHC-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC001178640339 809881383 /nfs/dbraw/zinc/88/13/83/809881383.db2.gz QPVBHIOWNTXIHC-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768726 809943687 /nfs/dbraw/zinc/94/36/87/809943687.db2.gz UKFAJONSMAGOEF-LSDHHAIUSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768726 809943688 /nfs/dbraw/zinc/94/36/88/809943688.db2.gz UKFAJONSMAGOEF-LSDHHAIUSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001182874545 810128368 /nfs/dbraw/zinc/12/83/68/810128368.db2.gz SMHZVTYBBSBUQF-OHFALNGGSA-N 2 2 264.457 3.131 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(C)n1 ZINC001183227755 810141851 /nfs/dbraw/zinc/14/18/51/810141851.db2.gz UYDBNYWYEKNUTJ-UHFFFAOYSA-N 2 2 287.451 3.149 20 0 CGADLP CCc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001184839465 810221388 /nfs/dbraw/zinc/22/13/88/810221388.db2.gz JQHJNTPBCKUXEF-KBPBESRZSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001184839465 810221390 /nfs/dbraw/zinc/22/13/90/810221390.db2.gz JQHJNTPBCKUXEF-KBPBESRZSA-N 2 2 290.455 3.134 20 0 CGADLP CCc1cc(NCC(C)(C)C[NH+]2CCCC2)nc(CC)[nH+]1 ZINC001186336201 810329890 /nfs/dbraw/zinc/32/98/90/810329890.db2.gz YKPVXEDAWJGDSL-UHFFFAOYSA-N 2 2 290.455 3.135 20 0 CGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510318 811875527 /nfs/dbraw/zinc/87/55/27/811875527.db2.gz ZPFCLAQXBSGILF-ZNMIVQPWSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510318 811875531 /nfs/dbraw/zinc/87/55/31/811875531.db2.gz ZPFCLAQXBSGILF-ZNMIVQPWSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201510318 811875535 /nfs/dbraw/zinc/87/55/35/811875535.db2.gz ZPFCLAQXBSGILF-ZNMIVQPWSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201510318 811875540 /nfs/dbraw/zinc/87/55/40/811875540.db2.gz ZPFCLAQXBSGILF-ZNMIVQPWSA-N 2 2 293.480 3.085 20 0 CGADLP CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731352 811950341 /nfs/dbraw/zinc/95/03/41/811950341.db2.gz PMOBGYFUGNLZPE-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731352 811950345 /nfs/dbraw/zinc/95/03/45/811950345.db2.gz PMOBGYFUGNLZPE-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201731352 811950349 /nfs/dbraw/zinc/95/03/49/811950349.db2.gz PMOBGYFUGNLZPE-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201731352 811950354 /nfs/dbraw/zinc/95/03/54/811950354.db2.gz PMOBGYFUGNLZPE-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC001202368254 812078359 /nfs/dbraw/zinc/07/83/59/812078359.db2.gz KFANXQBXWXVKPU-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC001202368254 812078365 /nfs/dbraw/zinc/07/83/65/812078365.db2.gz KFANXQBXWXVKPU-UHFFFAOYSA-N 2 2 266.351 3.135 20 0 CGADLP c1coc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283756 812292378 /nfs/dbraw/zinc/29/23/78/812292378.db2.gz MQXQZYCIUJSFGH-ZWKOTPCHSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283756 812292382 /nfs/dbraw/zinc/29/23/82/812292382.db2.gz MQXQZYCIUJSFGH-ZWKOTPCHSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283756 812292391 /nfs/dbraw/zinc/29/23/91/812292391.db2.gz MQXQZYCIUJSFGH-ZWKOTPCHSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283756 812292401 /nfs/dbraw/zinc/29/24/01/812292401.db2.gz MQXQZYCIUJSFGH-ZWKOTPCHSA-N 2 2 296.414 3.234 20 0 CGADLP Cc1ccc(Nc2c[nH+]ccc2N2CCCC2)c(C)[nH+]1 ZINC001203369888 812327739 /nfs/dbraw/zinc/32/77/39/812327739.db2.gz UYBKCFVLKODZCV-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203894113 812484459 /nfs/dbraw/zinc/48/44/59/812484459.db2.gz NNYVKDOXEZLSIN-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203894113 812484464 /nfs/dbraw/zinc/48/44/64/812484464.db2.gz NNYVKDOXEZLSIN-KRWDZBQOSA-N 2 2 282.387 3.352 20 0 CGADLP CC(C)[N@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC001204044002 812532087 /nfs/dbraw/zinc/53/20/87/812532087.db2.gz DKLUXFSKWFLMTH-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP CC(C)[N@@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC001204044002 812532093 /nfs/dbraw/zinc/53/20/93/812532093.db2.gz DKLUXFSKWFLMTH-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204165548 812561246 /nfs/dbraw/zinc/56/12/46/812561246.db2.gz FACIIYHJHWNTDR-HUUCEWRRSA-N 2 2 298.352 3.089 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204165548 812561250 /nfs/dbraw/zinc/56/12/50/812561250.db2.gz FACIIYHJHWNTDR-HUUCEWRRSA-N 2 2 298.352 3.089 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)oc1C ZINC001204540271 812674022 /nfs/dbraw/zinc/67/40/22/812674022.db2.gz UUNAWGDNICWYEO-UHFFFAOYSA-N 2 2 276.424 3.347 20 0 CGADLP CN(c1ccc(C[NH2+]C(C)(C)C)cc1)c1[nH+]cccc1N ZINC001204670736 812704062 /nfs/dbraw/zinc/70/40/62/812704062.db2.gz JFQUXEZGAWMTSY-UHFFFAOYSA-N 2 2 284.407 3.320 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1C ZINC001204904416 812771185 /nfs/dbraw/zinc/77/11/85/812771185.db2.gz PYJYVYMUYAHEOH-QGZVFWFLSA-N 2 2 272.436 3.152 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1C ZINC001204904416 812771188 /nfs/dbraw/zinc/77/11/88/812771188.db2.gz PYJYVYMUYAHEOH-QGZVFWFLSA-N 2 2 272.436 3.152 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c2ccccc12 ZINC001204904231 812771289 /nfs/dbraw/zinc/77/12/89/812771289.db2.gz KSEMPMRRPKCYNV-QGZVFWFLSA-N 2 2 266.388 3.071 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c2ccccc12 ZINC001204904231 812771293 /nfs/dbraw/zinc/77/12/93/812771293.db2.gz KSEMPMRRPKCYNV-QGZVFWFLSA-N 2 2 266.388 3.071 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001204931960 812781752 /nfs/dbraw/zinc/78/17/52/812781752.db2.gz HDMBVXCVWJICNJ-GOSISDBHSA-N 2 2 296.414 3.372 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001204931960 812781757 /nfs/dbraw/zinc/78/17/57/812781757.db2.gz HDMBVXCVWJICNJ-GOSISDBHSA-N 2 2 296.414 3.372 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204947442 812793247 /nfs/dbraw/zinc/79/32/47/812793247.db2.gz YHZZIIMKGJBNGW-GOSISDBHSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204947442 812793249 /nfs/dbraw/zinc/79/32/49/812793249.db2.gz YHZZIIMKGJBNGW-GOSISDBHSA-N 2 2 290.451 3.404 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082202 812852389 /nfs/dbraw/zinc/85/23/89/812852389.db2.gz CGFMDAVIVQOOGW-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082202 812852399 /nfs/dbraw/zinc/85/23/99/812852399.db2.gz CGFMDAVIVQOOGW-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205082701 812854373 /nfs/dbraw/zinc/85/43/73/812854373.db2.gz IHUVTHKISRWALZ-ZFWWWQNUSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001205082701 812854380 /nfs/dbraw/zinc/85/43/80/812854380.db2.gz IHUVTHKISRWALZ-ZFWWWQNUSA-N 2 2 299.393 3.199 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205095014 812861763 /nfs/dbraw/zinc/86/17/63/812861763.db2.gz SSCLLLOXZRZBHZ-LLVKDONJSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001205095014 812861776 /nfs/dbraw/zinc/86/17/76/812861776.db2.gz SSCLLLOXZRZBHZ-LLVKDONJSA-N 2 2 277.799 3.135 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205101359 812864833 /nfs/dbraw/zinc/86/48/33/812864833.db2.gz DEMJXKLTFUHNCI-OAHLLOKOSA-N 2 2 296.842 3.440 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205101359 812864840 /nfs/dbraw/zinc/86/48/40/812864840.db2.gz DEMJXKLTFUHNCI-OAHLLOKOSA-N 2 2 296.842 3.440 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205124717 812878748 /nfs/dbraw/zinc/87/87/48/812878748.db2.gz YOTKHFNTKVRVIQ-NSHDSACASA-N 2 2 295.839 3.263 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3sccc3nc2Cl)CC1 ZINC001205124717 812878756 /nfs/dbraw/zinc/87/87/56/812878756.db2.gz YOTKHFNTKVRVIQ-NSHDSACASA-N 2 2 295.839 3.263 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205263714 812920131 /nfs/dbraw/zinc/92/01/31/812920131.db2.gz BZFDHEQYTARVOC-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205263714 812920138 /nfs/dbraw/zinc/92/01/38/812920138.db2.gz BZFDHEQYTARVOC-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324461 812955081 /nfs/dbraw/zinc/95/50/81/812955081.db2.gz BSHHPVRNGSAROD-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205324461 812955085 /nfs/dbraw/zinc/95/50/85/812955085.db2.gz BSHHPVRNGSAROD-HNNXBMFYSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205332487 812958904 /nfs/dbraw/zinc/95/89/04/812958904.db2.gz QFNPCXMTBJXMHP-CQSZACIVSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205332487 812958910 /nfs/dbraw/zinc/95/89/10/812958910.db2.gz QFNPCXMTBJXMHP-CQSZACIVSA-N 2 2 270.376 3.130 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205770818 813072426 /nfs/dbraw/zinc/07/24/26/813072426.db2.gz PHNAOQGSBJXOMD-NSHDSACASA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205770818 813072434 /nfs/dbraw/zinc/07/24/34/813072434.db2.gz PHNAOQGSBJXOMD-NSHDSACASA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205770817 813072885 /nfs/dbraw/zinc/07/28/85/813072885.db2.gz PHNAOQGSBJXOMD-LLVKDONJSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205770817 813072893 /nfs/dbraw/zinc/07/28/93/813072893.db2.gz PHNAOQGSBJXOMD-LLVKDONJSA-N 2 2 288.769 3.064 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](CCCc2ccccc2Cl)C1 ZINC001205803522 813083363 /nfs/dbraw/zinc/08/33/63/813083363.db2.gz HNGAJWDJPZDYLF-DZGCQCFKSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205803522 813083372 /nfs/dbraw/zinc/08/33/72/813083372.db2.gz HNGAJWDJPZDYLF-DZGCQCFKSA-N 2 2 280.843 3.332 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840553 813103917 /nfs/dbraw/zinc/10/39/17/813103917.db2.gz HUUFOKIVFJOSQW-SWLSCSKDSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840553 813103921 /nfs/dbraw/zinc/10/39/21/813103921.db2.gz HUUFOKIVFJOSQW-SWLSCSKDSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852046 813108570 /nfs/dbraw/zinc/10/85/70/813108570.db2.gz DRSVXDRUQLEISQ-BBRMVZONSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852046 813108574 /nfs/dbraw/zinc/10/85/74/813108574.db2.gz DRSVXDRUQLEISQ-BBRMVZONSA-N 2 2 284.403 3.105 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901172 813122288 /nfs/dbraw/zinc/12/22/88/813122288.db2.gz BNNMMMCNRPBJPR-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901172 813122291 /nfs/dbraw/zinc/12/22/91/813122291.db2.gz BNNMMMCNRPBJPR-STQMWFEESA-N 2 2 296.842 3.298 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902692 813124117 /nfs/dbraw/zinc/12/41/17/813124117.db2.gz KXTBHHFVTUDCJN-RYUDHWBXSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2c(cccc2Cl)[nH]1 ZINC001205902692 813124119 /nfs/dbraw/zinc/12/41/19/813124119.db2.gz KXTBHHFVTUDCJN-RYUDHWBXSA-N 2 2 291.826 3.381 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001205903485 813126011 /nfs/dbraw/zinc/12/60/11/813126011.db2.gz PORAKBCFLQKSMH-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Cl ZINC001205903485 813126015 /nfs/dbraw/zinc/12/60/15/813126015.db2.gz PORAKBCFLQKSMH-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001205904276 813126572 /nfs/dbraw/zinc/12/65/72/813126572.db2.gz UCZIJVRSPHPREM-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001205904276 813126574 /nfs/dbraw/zinc/12/65/74/813126574.db2.gz UCZIJVRSPHPREM-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205939308 813141479 /nfs/dbraw/zinc/14/14/79/813141479.db2.gz POAJLSYXPQGITC-AWEZNQCLSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205939308 813141483 /nfs/dbraw/zinc/14/14/83/813141483.db2.gz POAJLSYXPQGITC-AWEZNQCLSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@H]1[NH3+] ZINC001206043538 813179969 /nfs/dbraw/zinc/17/99/69/813179969.db2.gz KGGOTFGHXJBOHI-AUUYWEPGSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@H]1[NH3+] ZINC001206043538 813179974 /nfs/dbraw/zinc/17/99/74/813179974.db2.gz KGGOTFGHXJBOHI-AUUYWEPGSA-N 2 2 297.446 3.075 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)s1 ZINC001206344187 813296427 /nfs/dbraw/zinc/29/64/27/813296427.db2.gz OKJQKKURXJYCOZ-HNNXBMFYSA-N 2 2 284.444 3.354 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)s1 ZINC001206344187 813296430 /nfs/dbraw/zinc/29/64/30/813296430.db2.gz OKJQKKURXJYCOZ-HNNXBMFYSA-N 2 2 284.444 3.354 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206380676 813309337 /nfs/dbraw/zinc/30/93/37/813309337.db2.gz RQUWLQRUBVSYFD-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206380676 813309343 /nfs/dbraw/zinc/30/93/43/813309343.db2.gz RQUWLQRUBVSYFD-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP C1C([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC12CCCC2 ZINC001206477624 813330590 /nfs/dbraw/zinc/33/05/90/813330590.db2.gz PZRNXQXPESEHFZ-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C1C([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC12CCCC2 ZINC001206477624 813330599 /nfs/dbraw/zinc/33/05/99/813330599.db2.gz PZRNXQXPESEHFZ-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001206550137 813348594 /nfs/dbraw/zinc/34/85/94/813348594.db2.gz WEXYLUXFZUMFNN-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001206550137 813348602 /nfs/dbraw/zinc/34/86/02/813348602.db2.gz WEXYLUXFZUMFNN-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CS1 ZINC001206661050 813391150 /nfs/dbraw/zinc/39/11/50/813391150.db2.gz NPCKUAUCCDRUSQ-XHSDSOJGSA-N 2 2 284.513 3.227 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207131378 813492491 /nfs/dbraw/zinc/49/24/91/813492491.db2.gz GHSWKGHBCZDWFQ-IYBDPMFKSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207131378 813492492 /nfs/dbraw/zinc/49/24/92/813492492.db2.gz GHSWKGHBCZDWFQ-IYBDPMFKSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207131378 813492497 /nfs/dbraw/zinc/49/24/97/813492497.db2.gz GHSWKGHBCZDWFQ-IYBDPMFKSA-N 2 2 294.389 3.398 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207131378 813492503 /nfs/dbraw/zinc/49/25/03/813492503.db2.gz GHSWKGHBCZDWFQ-IYBDPMFKSA-N 2 2 294.389 3.398 20 0 CGADLP c1ccc(-c2nc3c(s2)C[N@@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207443264 813565802 /nfs/dbraw/zinc/56/58/02/813565802.db2.gz PFTBYTMGYYJVCD-UHFFFAOYSA-N 2 2 299.443 3.125 20 0 CGADLP c1ccc(-c2nc3c(s2)C[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207443264 813565806 /nfs/dbraw/zinc/56/58/06/813565806.db2.gz PFTBYTMGYYJVCD-UHFFFAOYSA-N 2 2 299.443 3.125 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC001207823941 813656720 /nfs/dbraw/zinc/65/67/20/813656720.db2.gz NUWIAEHWVGVZOS-ZWKOTPCHSA-N 2 2 295.430 3.403 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001208136422 813703475 /nfs/dbraw/zinc/70/34/75/813703475.db2.gz WEUDWAUNGJVQRC-GRFNRIFCSA-N 2 2 299.462 3.192 20 0 CGADLP C[NH+](C)CC1(C[N@H+](C)Cc2ccccc2F)CCCC1 ZINC001208189966 813736839 /nfs/dbraw/zinc/73/68/39/813736839.db2.gz CMAQUGBSQLJPIK-UHFFFAOYSA-N 2 2 278.415 3.380 20 0 CGADLP C[NH+](C)CC1(C[N@@H+](C)Cc2ccccc2F)CCCC1 ZINC001208189966 813736845 /nfs/dbraw/zinc/73/68/45/813736845.db2.gz CMAQUGBSQLJPIK-UHFFFAOYSA-N 2 2 278.415 3.380 20 0 CGADLP Cc1cc(Oc2ccccc2)ccc1C[NH+]1CC(C[NH3+])C1 ZINC001210545835 814516931 /nfs/dbraw/zinc/51/69/31/814516931.db2.gz RMYYQBJVEIANIW-UHFFFAOYSA-N 2 2 282.387 3.178 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001211130234 814756355 /nfs/dbraw/zinc/75/63/55/814756355.db2.gz LRMULVCVRKQQQR-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP C[NH2+]Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001211130349 814756515 /nfs/dbraw/zinc/75/65/15/814756515.db2.gz MKBASFYRHSEXDZ-UHFFFAOYSA-N 2 2 282.391 3.145 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222258687 816389179 /nfs/dbraw/zinc/38/91/79/816389179.db2.gz FHJQXTPERTVLAJ-QGZVFWFLSA-N 2 2 290.476 3.435 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222258687 816389188 /nfs/dbraw/zinc/38/91/88/816389188.db2.gz FHJQXTPERTVLAJ-QGZVFWFLSA-N 2 2 290.476 3.435 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222345506 816414206 /nfs/dbraw/zinc/41/42/06/816414206.db2.gz KVBMCZNIIWGOBS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222345506 816414209 /nfs/dbraw/zinc/41/42/09/816414209.db2.gz KVBMCZNIIWGOBS-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222360967 816418828 /nfs/dbraw/zinc/41/88/28/816418828.db2.gz VNYDPVVGBUCJSE-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)o1 ZINC001222360967 816418835 /nfs/dbraw/zinc/41/88/35/816418835.db2.gz VNYDPVVGBUCJSE-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)o1 ZINC001222420868 816439809 /nfs/dbraw/zinc/43/98/09/816439809.db2.gz HTWKQUPIUASKQH-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)o1 ZINC001222420868 816439812 /nfs/dbraw/zinc/43/98/12/816439812.db2.gz HTWKQUPIUASKQH-PBHICJAKSA-N 2 2 276.424 3.300 20 0 CGADLP CC(C)=CCCC1=CC[C@@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222460707 816449992 /nfs/dbraw/zinc/44/99/92/816449992.db2.gz AVEOHXVYWDXWNN-QGZVFWFLSA-N 2 2 274.452 3.365 20 0 CGADLP Cc1[nH]c2ccc(OC3CC[NH+](C(C)C)CC3)cc2[nH+]1 ZINC001228325767 817877746 /nfs/dbraw/zinc/87/77/46/817877746.db2.gz CUGUWEPKINKQSO-UHFFFAOYSA-N 2 2 273.380 3.123 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccn1 ZINC001232494855 818370868 /nfs/dbraw/zinc/37/08/68/818370868.db2.gz GRSPWPZVNRWVEN-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccn1 ZINC001232494855 818370877 /nfs/dbraw/zinc/37/08/77/818370877.db2.gz GRSPWPZVNRWVEN-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccn1 ZINC001232494855 818370886 /nfs/dbraw/zinc/37/08/86/818370886.db2.gz GRSPWPZVNRWVEN-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccn1 ZINC001232494855 818370894 /nfs/dbraw/zinc/37/08/94/818370894.db2.gz GRSPWPZVNRWVEN-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912868 818473882 /nfs/dbraw/zinc/47/38/82/818473882.db2.gz YFMSLCZPJLNQSL-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912868 818473887 /nfs/dbraw/zinc/47/38/87/818473887.db2.gz YFMSLCZPJLNQSL-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912868 818473890 /nfs/dbraw/zinc/47/38/90/818473890.db2.gz YFMSLCZPJLNQSL-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912868 818473894 /nfs/dbraw/zinc/47/38/94/818473894.db2.gz YFMSLCZPJLNQSL-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235033473 818983782 /nfs/dbraw/zinc/98/37/82/818983782.db2.gz OPWKDEPIDXHMLC-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235033473 818983790 /nfs/dbraw/zinc/98/37/90/818983790.db2.gz OPWKDEPIDXHMLC-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235148536 819016756 /nfs/dbraw/zinc/01/67/56/819016756.db2.gz XTMOZNMPUMOUFZ-UGSOOPFHSA-N 2 2 278.355 3.119 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC001235148536 819016760 /nfs/dbraw/zinc/01/67/60/819016760.db2.gz XTMOZNMPUMOUFZ-UGSOOPFHSA-N 2 2 278.355 3.119 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235167925 819021125 /nfs/dbraw/zinc/02/11/25/819021125.db2.gz OOJCYJVRSFWHNN-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)c1 ZINC001235167925 819021130 /nfs/dbraw/zinc/02/11/30/819021130.db2.gz OOJCYJVRSFWHNN-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244748 819047006 /nfs/dbraw/zinc/04/70/06/819047006.db2.gz ITSYMAVDQYAZTF-SJLPKXTDSA-N 2 2 272.436 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244748 819047008 /nfs/dbraw/zinc/04/70/08/819047008.db2.gz ITSYMAVDQYAZTF-SJLPKXTDSA-N 2 2 272.436 3.297 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235276387 819061017 /nfs/dbraw/zinc/06/10/17/819061017.db2.gz YTTPBPXJWKZSRD-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235276387 819061022 /nfs/dbraw/zinc/06/10/22/819061022.db2.gz YTTPBPXJWKZSRD-DOMZBBRYSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1Cl ZINC001235409250 819087852 /nfs/dbraw/zinc/08/78/52/819087852.db2.gz VUBSFPRBEKYCTD-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1Cl ZINC001235409250 819087859 /nfs/dbraw/zinc/08/78/59/819087859.db2.gz VUBSFPRBEKYCTD-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC001235726308 819155649 /nfs/dbraw/zinc/15/56/49/819155649.db2.gz MPTAEKVHGSLUGW-UHFFFAOYSA-N 2 2 290.451 3.295 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH2+]CC2)c(Cl)c1 ZINC001235764466 819164083 /nfs/dbraw/zinc/16/40/83/819164083.db2.gz FOPFBUYZYRKEEZ-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)c(Cl)c1 ZINC001235764466 819164088 /nfs/dbraw/zinc/16/40/88/819164088.db2.gz FOPFBUYZYRKEEZ-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893650 819203706 /nfs/dbraw/zinc/20/37/06/819203706.db2.gz YBKMNLVIOSTSON-SMDDNHRTSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893650 819203708 /nfs/dbraw/zinc/20/37/08/819203708.db2.gz YBKMNLVIOSTSON-SMDDNHRTSA-N 2 2 286.341 3.060 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235909136 819217430 /nfs/dbraw/zinc/21/74/30/819217430.db2.gz ZNPMUBJNCAZTJI-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235909136 819217434 /nfs/dbraw/zinc/21/74/34/819217434.db2.gz ZNPMUBJNCAZTJI-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC[NH2+]CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919547 819219933 /nfs/dbraw/zinc/21/99/33/819219933.db2.gz ZMVWMPZZKGVDCS-CYBMUJFWSA-N 2 2 286.341 3.104 20 0 CGADLP CC[NH2+]CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919547 819219940 /nfs/dbraw/zinc/21/99/40/819219940.db2.gz ZMVWMPZZKGVDCS-CYBMUJFWSA-N 2 2 286.341 3.104 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC001235942904 819234085 /nfs/dbraw/zinc/23/40/85/819234085.db2.gz YPHCPNZFRLVTBX-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)cc1Cl ZINC001235942904 819234091 /nfs/dbraw/zinc/23/40/91/819234091.db2.gz YPHCPNZFRLVTBX-AAEUAGOBSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+](CC[NH3+])C(C)C ZINC001235946883 819236457 /nfs/dbraw/zinc/23/64/57/819236457.db2.gz AVCLLWCSTQUNSF-UHFFFAOYSA-N 2 2 262.422 3.379 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+](CC[NH3+])C(C)C ZINC001235946883 819236465 /nfs/dbraw/zinc/23/64/65/819236465.db2.gz AVCLLWCSTQUNSF-UHFFFAOYSA-N 2 2 262.422 3.379 20 0 CGADLP COc1cc(C)c(C[N@H+](CC[NH3+])C(C)C)cc1C(C)C ZINC001235947677 819237583 /nfs/dbraw/zinc/23/75/83/819237583.db2.gz NITNSQGUVOLADX-UHFFFAOYSA-N 2 2 278.440 3.296 20 0 CGADLP COc1cc(C)c(C[N@@H+](CC[NH3+])C(C)C)cc1C(C)C ZINC001235947677 819237588 /nfs/dbraw/zinc/23/75/88/819237588.db2.gz NITNSQGUVOLADX-UHFFFAOYSA-N 2 2 278.440 3.296 20 0 CGADLP CCOc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1CC ZINC001236009493 819273646 /nfs/dbraw/zinc/27/36/46/819273646.db2.gz ZGYIHWWJEJATHV-QGZVFWFLSA-N 2 2 290.451 3.222 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1CC ZINC001236009493 819273651 /nfs/dbraw/zinc/27/36/51/819273651.db2.gz ZGYIHWWJEJATHV-QGZVFWFLSA-N 2 2 290.451 3.222 20 0 CGADLP CC[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCC[NH2+]C1 ZINC001236010419 819273754 /nfs/dbraw/zinc/27/37/54/819273754.db2.gz RILXHHSBUGHSBO-QGZVFWFLSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCC[NH2+]C1 ZINC001236010419 819273759 /nfs/dbraw/zinc/27/37/59/819273759.db2.gz RILXHHSBUGHSBO-QGZVFWFLSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@H+](Cc1ccc2ccsc2c1)[C@H]1CCC[NH2+]C1 ZINC001236010882 819274452 /nfs/dbraw/zinc/27/44/52/819274452.db2.gz TVNSNFGLUWRSGM-HNNXBMFYSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CCC[NH2+]C1 ZINC001236010882 819274455 /nfs/dbraw/zinc/27/44/55/819274455.db2.gz TVNSNFGLUWRSGM-HNNXBMFYSA-N 2 2 274.433 3.475 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050381 819286989 /nfs/dbraw/zinc/28/69/89/819286989.db2.gz RLDIYRPUHMNXHL-JSGCOSHPSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001236050381 819286992 /nfs/dbraw/zinc/28/69/92/819286992.db2.gz RLDIYRPUHMNXHL-JSGCOSHPSA-N 2 2 272.367 3.148 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236052549 819288612 /nfs/dbraw/zinc/28/86/12/819288612.db2.gz SLZANUYARLKTNX-MAUKXSAKSA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236052549 819288614 /nfs/dbraw/zinc/28/86/14/819288614.db2.gz SLZANUYARLKTNX-MAUKXSAKSA-N 2 2 295.430 3.226 20 0 CGADLP c1ccc(SC2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236089593 819309721 /nfs/dbraw/zinc/30/97/21/819309721.db2.gz CKIAOYYRIWSFMU-OAHLLOKOSA-N 2 2 290.476 3.385 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095385 819313790 /nfs/dbraw/zinc/31/37/90/819313790.db2.gz SUOJVEMFCCXROC-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1 ZINC001236095385 819313794 /nfs/dbraw/zinc/31/37/94/819313794.db2.gz SUOJVEMFCCXROC-HNNXBMFYSA-N 2 2 276.424 3.049 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216375 819380700 /nfs/dbraw/zinc/38/07/00/819380700.db2.gz JVQXSPYKNBQRNW-PKOBYXMFSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)n1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216375 819380704 /nfs/dbraw/zinc/38/07/04/819380704.db2.gz JVQXSPYKNBQRNW-PKOBYXMFSA-N 2 2 295.430 3.450 20 0 CGADLP CC(C)Oc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC001236219244 819385278 /nfs/dbraw/zinc/38/52/78/819385278.db2.gz UYIMAUXWIGLLHO-JKSUJKDBSA-N 2 2 294.414 3.315 20 0 CGADLP CC(C)Oc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC001236219244 819385283 /nfs/dbraw/zinc/38/52/83/819385283.db2.gz UYIMAUXWIGLLHO-JKSUJKDBSA-N 2 2 294.414 3.315 20 0 CGADLP Nc1ccc(-c2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)c[nH+]1 ZINC001236316222 819421951 /nfs/dbraw/zinc/42/19/51/819421951.db2.gz LVIKWWUUVXZXEN-IAGOWNOFSA-N 2 2 297.402 3.117 20 0 CGADLP CCC[N@H+](Cc1ccccc1C(C)C)[C@H]1CC[NH2+]C1 ZINC001236322945 819424638 /nfs/dbraw/zinc/42/46/38/819424638.db2.gz AYTRYYWCWNZOFE-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C(C)C)[C@H]1CC[NH2+]C1 ZINC001236322945 819424641 /nfs/dbraw/zinc/42/46/41/819424641.db2.gz AYTRYYWCWNZOFE-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324419 819425969 /nfs/dbraw/zinc/42/59/69/819425969.db2.gz PPORPMSXWUCICU-HNNXBMFYSA-N 2 2 280.843 3.476 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324419 819425971 /nfs/dbraw/zinc/42/59/71/819425971.db2.gz PPORPMSXWUCICU-HNNXBMFYSA-N 2 2 280.843 3.476 20 0 CGADLP CC/C=C\CCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334924 819427769 /nfs/dbraw/zinc/42/77/69/819427769.db2.gz SETNEFGLUIISQH-VGOKWCNXSA-N 2 2 282.472 3.213 20 0 CGADLP CC/C=C\CCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334924 819427775 /nfs/dbraw/zinc/42/77/75/819427775.db2.gz SETNEFGLUIISQH-VGOKWCNXSA-N 2 2 282.472 3.213 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1C(C)C ZINC001236416919 819461933 /nfs/dbraw/zinc/46/19/33/819461933.db2.gz AJCBSLINCASWGC-RHSMWYFYSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1C(C)C ZINC001236416919 819461937 /nfs/dbraw/zinc/46/19/37/819461937.db2.gz AJCBSLINCASWGC-RHSMWYFYSA-N 2 2 290.451 3.439 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236468031 819488170 /nfs/dbraw/zinc/48/81/70/819488170.db2.gz DHOMIHODALFUKH-MRXNPFEDSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236468031 819488174 /nfs/dbraw/zinc/48/81/74/819488174.db2.gz DHOMIHODALFUKH-MRXNPFEDSA-N 2 2 271.408 3.130 20 0 CGADLP CSc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468573 819490114 /nfs/dbraw/zinc/49/01/14/819490114.db2.gz JEKGJOAYLROUCH-OAHLLOKOSA-N 2 2 278.465 3.371 20 0 CGADLP CSc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468573 819490116 /nfs/dbraw/zinc/49/01/16/819490116.db2.gz JEKGJOAYLROUCH-OAHLLOKOSA-N 2 2 278.465 3.371 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236470938 819491394 /nfs/dbraw/zinc/49/13/94/819491394.db2.gz SJMTXEBDGKZVOV-OAHLLOKOSA-N 2 2 294.414 3.187 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236470938 819491399 /nfs/dbraw/zinc/49/13/99/819491399.db2.gz SJMTXEBDGKZVOV-OAHLLOKOSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475220 819494067 /nfs/dbraw/zinc/49/40/67/819494067.db2.gz XABJJOXWDDMXIF-MRXNPFEDSA-N 2 2 282.378 3.175 20 0 CGADLP CC(C)C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475220 819494071 /nfs/dbraw/zinc/49/40/71/819494071.db2.gz XABJJOXWDDMXIF-MRXNPFEDSA-N 2 2 282.378 3.175 20 0 CGADLP CC(C)C[N@H+](Cc1cc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC001236477358 819495667 /nfs/dbraw/zinc/49/56/67/819495667.db2.gz CEOOYNDMTQBTCY-QGZVFWFLSA-N 2 2 299.462 3.388 20 0 CGADLP CC(C)C[N@@H+](Cc1cc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC001236477358 819495669 /nfs/dbraw/zinc/49/56/69/819495669.db2.gz CEOOYNDMTQBTCY-QGZVFWFLSA-N 2 2 299.462 3.388 20 0 CGADLP C[C@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236478786 819495720 /nfs/dbraw/zinc/49/57/20/819495720.db2.gz LYJOTJUHPWQMNH-LXZKKBNFSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236478786 819495724 /nfs/dbraw/zinc/49/57/24/819495724.db2.gz LYJOTJUHPWQMNH-LXZKKBNFSA-N 2 2 276.399 3.036 20 0 CGADLP COc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001236530501 819522174 /nfs/dbraw/zinc/52/21/74/819522174.db2.gz UPYABKOMXVPQMJ-MRXNPFEDSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001236530501 819522176 /nfs/dbraw/zinc/52/21/76/819522176.db2.gz UPYABKOMXVPQMJ-MRXNPFEDSA-N 2 2 296.414 3.175 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236860282 819624327 /nfs/dbraw/zinc/62/43/27/819624327.db2.gz XZGJFJGHCXPYMN-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236860282 819624331 /nfs/dbraw/zinc/62/43/31/819624331.db2.gz XZGJFJGHCXPYMN-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236860282 819624334 /nfs/dbraw/zinc/62/43/34/819624334.db2.gz XZGJFJGHCXPYMN-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236860282 819624342 /nfs/dbraw/zinc/62/43/42/819624342.db2.gz XZGJFJGHCXPYMN-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)CCc1c(Cl)cccc1Cl ZINC001236860587 819625852 /nfs/dbraw/zinc/62/58/52/819625852.db2.gz RMIGXZDEGFDHKY-JTQLQIEISA-N 2 2 275.223 3.205 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001236860587 819625856 /nfs/dbraw/zinc/62/58/56/819625856.db2.gz RMIGXZDEGFDHKY-JTQLQIEISA-N 2 2 275.223 3.205 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC001236884290 819630362 /nfs/dbraw/zinc/63/03/62/819630362.db2.gz NNHXEWSPEDDBLE-AWEZNQCLSA-N 2 2 264.413 3.033 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC001236884290 819630367 /nfs/dbraw/zinc/63/03/67/819630367.db2.gz NNHXEWSPEDDBLE-AWEZNQCLSA-N 2 2 264.413 3.033 20 0 CGADLP COCCC[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236947206 819637866 /nfs/dbraw/zinc/63/78/66/819637866.db2.gz ORPXSAPMCFENRX-LJQANCHMSA-N 2 2 298.430 3.040 20 0 CGADLP COCCC[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC001236947206 819637867 /nfs/dbraw/zinc/63/78/67/819637867.db2.gz ORPXSAPMCFENRX-LJQANCHMSA-N 2 2 298.430 3.040 20 0 CGADLP [NH3+]CC[NH+]1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC001237045365 819650639 /nfs/dbraw/zinc/65/06/39/819650639.db2.gz ZLFPVRHRBDPJAN-UHFFFAOYSA-N 2 2 280.415 3.492 20 0 CGADLP c1ccc2c(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccnc2c1 ZINC001237145363 819678757 /nfs/dbraw/zinc/67/87/57/819678757.db2.gz NJFKFEHZTKIXKC-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccnc2c1 ZINC001237145363 819678758 /nfs/dbraw/zinc/67/87/58/819678758.db2.gz NJFKFEHZTKIXKC-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC001237203602 819697848 /nfs/dbraw/zinc/69/78/48/819697848.db2.gz JBJIWBJZVRIWCO-KDOFPFPSSA-N 2 2 296.414 3.284 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC001237203602 819697852 /nfs/dbraw/zinc/69/78/52/819697852.db2.gz JBJIWBJZVRIWCO-KDOFPFPSSA-N 2 2 296.414 3.284 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)o1 ZINC001237371803 819736971 /nfs/dbraw/zinc/73/69/71/819736971.db2.gz VEGHNTLCCPROKR-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)o1 ZINC001237371803 819736974 /nfs/dbraw/zinc/73/69/74/819736974.db2.gz VEGHNTLCCPROKR-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC[N@H+](Cc1cccc2nccc(C)c12)C1CC[NH+](C)CC1 ZINC001237634137 819794083 /nfs/dbraw/zinc/79/40/83/819794083.db2.gz TXMYWIWYPPMAFB-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@@H+](Cc1cccc2nccc(C)c12)C1CC[NH+](C)CC1 ZINC001237634137 819794087 /nfs/dbraw/zinc/79/40/87/819794087.db2.gz TXMYWIWYPPMAFB-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c12 ZINC001237636825 819795134 /nfs/dbraw/zinc/79/51/34/819795134.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c12 ZINC001237636825 819795136 /nfs/dbraw/zinc/79/51/36/819795136.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c12 ZINC001237636825 819795139 /nfs/dbraw/zinc/79/51/39/819795139.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c12 ZINC001237636825 819795142 /nfs/dbraw/zinc/79/51/42/819795142.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 2 2 295.430 3.069 20 0 CGADLP CCOc1ccc(C)c(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001238716907 820100105 /nfs/dbraw/zinc/10/01/05/820100105.db2.gz LJJKEZMZNVHIMX-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001238716907 820100110 /nfs/dbraw/zinc/10/01/10/820100110.db2.gz LJJKEZMZNVHIMX-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP c1cc2c[nH+]c(-c3ccc(Cn4cc[nH+]c4)cc3)cc2[nH]1 ZINC001243656043 823475859 /nfs/dbraw/zinc/47/58/59/823475859.db2.gz AVVYBDWTSXOZJE-UHFFFAOYSA-N 2 2 274.327 3.475 20 0 CGADLP COc1ccc(C)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239768753 820589510 /nfs/dbraw/zinc/58/95/10/820589510.db2.gz RJJWYECDJXDKAH-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239768753 820589514 /nfs/dbraw/zinc/58/95/14/820589514.db2.gz RJJWYECDJXDKAH-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP c1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1C[NH+]1CCCC1 ZINC001240061365 820808423 /nfs/dbraw/zinc/80/84/23/820808423.db2.gz BWBPQYYKZSXZHD-UHFFFAOYSA-N 2 2 293.414 3.345 20 0 CGADLP CC[NH+](CC)Cc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218601 820891702 /nfs/dbraw/zinc/89/17/02/820891702.db2.gz GCOQLIGHLHERIC-UHFFFAOYSA-N 2 2 280.375 3.238 20 0 CGADLP c1cn(-c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)c[nH+]1 ZINC001240455912 821067273 /nfs/dbraw/zinc/06/72/73/821067273.db2.gz PBRLUPMSZADORU-UHFFFAOYSA-N 2 2 275.355 3.185 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1C ZINC001240865687 821380589 /nfs/dbraw/zinc/38/05/89/821380589.db2.gz RCYFZOSQRPGTHA-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1C ZINC001240865687 821380599 /nfs/dbraw/zinc/38/05/99/821380599.db2.gz RCYFZOSQRPGTHA-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001240865047 821380633 /nfs/dbraw/zinc/38/06/33/821380633.db2.gz KGKRLKCLVKXCAT-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC001240865047 821380641 /nfs/dbraw/zinc/38/06/41/821380641.db2.gz KGKRLKCLVKXCAT-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032483 926754854 /nfs/dbraw/zinc/75/48/54/926754854.db2.gz MLERZLBVDIDCCM-MISXGVKJSA-N 2 2 297.240 3.240 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@H]2C1 ZINC001560623498 937215289 /nfs/dbraw/zinc/21/52/89/937215289.db2.gz YYTSSELRCZUUOR-WBIUFABUSA-N 2 2 299.245 3.423 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@H]2C1 ZINC001560623498 937215293 /nfs/dbraw/zinc/21/52/93/937215293.db2.gz YYTSSELRCZUUOR-WBIUFABUSA-N 2 2 299.245 3.423 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)CC(C)(C)C1 ZINC001474033861 937836753 /nfs/dbraw/zinc/83/67/53/937836753.db2.gz CYEFODJIXFONHJ-OFQRWUPVSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(C2CCC2)[nH+]1 ZINC001458418370 937461553 /nfs/dbraw/zinc/46/15/53/937461553.db2.gz XSKAGKFTDULGSJ-ZDUSSCGKSA-N 2 2 276.428 3.193 20 0 CGADLP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(C2CCC2)[nH+]1 ZINC001458418370 937461554 /nfs/dbraw/zinc/46/15/54/937461554.db2.gz XSKAGKFTDULGSJ-ZDUSSCGKSA-N 2 2 276.428 3.193 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460561330 937535127 /nfs/dbraw/zinc/53/51/27/937535127.db2.gz OQEQBBACZOWXNM-QXSJWSMHSA-N 2 2 278.827 3.283 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460561330 937535129 /nfs/dbraw/zinc/53/51/29/937535129.db2.gz OQEQBBACZOWXNM-QXSJWSMHSA-N 2 2 278.827 3.283 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC001307625684 932977907 /nfs/dbraw/zinc/97/79/07/932977907.db2.gz DWMXXZCHIOBHNO-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC001307625684 932977910 /nfs/dbraw/zinc/97/79/10/932977910.db2.gz DWMXXZCHIOBHNO-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC001308975483 933218951 /nfs/dbraw/zinc/21/89/51/933218951.db2.gz UUFPNUUNIAZIJB-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC001308975483 933218956 /nfs/dbraw/zinc/21/89/56/933218956.db2.gz UUFPNUUNIAZIJB-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1ccsc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318584568 933748128 /nfs/dbraw/zinc/74/81/28/933748128.db2.gz IHNVMICBDPJHGT-UHFFFAOYSA-N 2 2 298.371 3.198 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C/C=C\Cl)[nH+]1 ZINC001324297891 934481799 /nfs/dbraw/zinc/48/17/99/934481799.db2.gz LNAGRAKIMTVFCD-IBSXUBTNSA-N 2 2 265.788 3.019 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C/C=C\Cl)[nH+]1 ZINC001324297891 934481812 /nfs/dbraw/zinc/48/18/12/934481812.db2.gz LNAGRAKIMTVFCD-IBSXUBTNSA-N 2 2 265.788 3.019 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C1CC1 ZINC001326430544 934979225 /nfs/dbraw/zinc/97/92/25/934979225.db2.gz OXMBMUCPRHBGPR-INIZCTEOSA-N 2 2 286.423 3.224 20 0 CGADLP CC(C)c1nc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cs1 ZINC001326464657 934981818 /nfs/dbraw/zinc/98/18/18/934981818.db2.gz QMOOINXVUGWAEV-UHFFFAOYSA-N 2 2 293.411 3.154 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(F)cccc1Cl ZINC001328399016 935133780 /nfs/dbraw/zinc/13/37/80/935133780.db2.gz PMYNTOTXVTWKPG-QWRGUYRKSA-N 2 2 270.779 3.129 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001334708160 936108911 /nfs/dbraw/zinc/10/89/11/936108911.db2.gz PAAZGSKHTIZDKG-PWBULWKKSA-N 2 2 281.403 3.028 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CC=CCC1 ZINC001336316752 936187682 /nfs/dbraw/zinc/18/76/82/936187682.db2.gz WQQARXMGCOMUQY-AWEZNQCLSA-N 2 2 296.374 3.261 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001473770493 937820845 /nfs/dbraw/zinc/82/08/45/937820845.db2.gz ZITSBVCIXCGJAT-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC001473770493 937820847 /nfs/dbraw/zinc/82/08/47/937820847.db2.gz ZITSBVCIXCGJAT-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001473770493 937820849 /nfs/dbraw/zinc/82/08/49/937820849.db2.gz ZITSBVCIXCGJAT-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001473770493 937820850 /nfs/dbraw/zinc/82/08/50/937820850.db2.gz ZITSBVCIXCGJAT-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001548900216 938153719 /nfs/dbraw/zinc/15/37/19/938153719.db2.gz GFZWVGKNTXIROL-SQNIBIBYSA-N 2 2 295.430 3.403 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001548900216 938153720 /nfs/dbraw/zinc/15/37/20/938153720.db2.gz GFZWVGKNTXIROL-SQNIBIBYSA-N 2 2 295.430 3.403 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117142 938155401 /nfs/dbraw/zinc/15/54/01/938155401.db2.gz QIBXQNPQUDBIFN-PBFPGSCMSA-N 2 2 291.439 3.094 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549117142 938155402 /nfs/dbraw/zinc/15/54/02/938155402.db2.gz QIBXQNPQUDBIFN-PBFPGSCMSA-N 2 2 291.439 3.094 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001550130235 938162992 /nfs/dbraw/zinc/16/29/92/938162992.db2.gz BFYFCRBOHMKCCL-STQMWFEESA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001550130235 938162993 /nfs/dbraw/zinc/16/29/93/938162993.db2.gz BFYFCRBOHMKCCL-STQMWFEESA-N 2 2 283.366 3.035 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@H]2C[C@@H]2C2CC2)C1 ZINC001550241665 938164657 /nfs/dbraw/zinc/16/46/57/938164657.db2.gz AALVFONPQHPABN-ARFHVFGLSA-N 2 2 273.424 3.036 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@H]2C[C@@H]2C2CC2)C1 ZINC001550241665 938164658 /nfs/dbraw/zinc/16/46/58/938164658.db2.gz AALVFONPQHPABN-ARFHVFGLSA-N 2 2 273.424 3.036 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC001551378405 938180617 /nfs/dbraw/zinc/18/06/17/938180617.db2.gz PRJBJTYGNVIFRS-HZUKXOBISA-N 2 2 272.417 3.332 20 0 CGADLP Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c(C)c(C)[nH+]1 ZINC001559238664 938223222 /nfs/dbraw/zinc/22/32/22/938223222.db2.gz RUSFMBQMKYXIOH-MRXNPFEDSA-N 2 2 288.439 3.221 20 0 CGADLP Cc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(C)c(C)[nH+]1 ZINC001559238664 938223223 /nfs/dbraw/zinc/22/32/23/938223223.db2.gz RUSFMBQMKYXIOH-MRXNPFEDSA-N 2 2 288.439 3.221 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCCc2scnc2C)CC1 ZINC001559487563 938227355 /nfs/dbraw/zinc/22/73/55/938227355.db2.gz IAMXHVNMVBHJEW-UHFFFAOYSA-N 2 2 295.496 3.190 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233133 938248441 /nfs/dbraw/zinc/24/84/41/938248441.db2.gz RWZBVJZWGKZDAC-HOCLYGCPSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560266078 938250420 /nfs/dbraw/zinc/25/04/20/938250420.db2.gz OXAMXPCQWANMJI-LPHOPBHVSA-N 2 2 286.463 3.256 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560266078 938250421 /nfs/dbraw/zinc/25/04/21/938250421.db2.gz OXAMXPCQWANMJI-LPHOPBHVSA-N 2 2 286.463 3.256 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001560266780 938250437 /nfs/dbraw/zinc/25/04/37/938250437.db2.gz QEAIPOGGPVGPSR-UHFFFAOYSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001576157415 960478014 /nfs/dbraw/zinc/47/80/14/960478014.db2.gz QIUXVZGDFMSFFD-DGCLKSJQSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccccc2Cl)C1(C)C ZINC001576157415 960478019 /nfs/dbraw/zinc/47/80/19/960478019.db2.gz QIUXVZGDFMSFFD-DGCLKSJQSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC001576912411 962492602 /nfs/dbraw/zinc/49/26/02/962492602.db2.gz BERCRQRCAXHCKO-XEZPLFJOSA-N 2 2 276.424 3.252 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001579534891 962632543 /nfs/dbraw/zinc/63/25/43/962632543.db2.gz VNUWVLQXQPHBFW-BXKDBHETSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC001579534891 962632556 /nfs/dbraw/zinc/63/25/56/962632556.db2.gz VNUWVLQXQPHBFW-BXKDBHETSA-N 2 2 287.234 3.328 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1F ZINC001580030459 962690012 /nfs/dbraw/zinc/69/00/12/962690012.db2.gz MZQMAXJUDDLFBC-QGZUEGPWSA-N 2 2 292.373 3.242 20 0 CGADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000337411261 214064363 /nfs/dbraw/zinc/06/43/63/214064363.db2.gz NMUUBUQPZIVKPV-HNNXBMFYSA-N 2 2 261.344 3.009 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621378503 349512959 /nfs/dbraw/zinc/51/29/59/349512959.db2.gz XYSYNPYEISRWAW-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621378503 349512963 /nfs/dbraw/zinc/51/29/63/349512963.db2.gz XYSYNPYEISRWAW-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401703 349520688 /nfs/dbraw/zinc/52/06/88/349520688.db2.gz HOQNIPCGVUBECS-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401703 349520691 /nfs/dbraw/zinc/52/06/91/349520691.db2.gz HOQNIPCGVUBECS-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000337509258 214130559 /nfs/dbraw/zinc/13/05/59/214130559.db2.gz KEUJYSRBPZVSSG-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000337509258 214130561 /nfs/dbraw/zinc/13/05/61/214130561.db2.gz KEUJYSRBPZVSSG-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124729307 187150832 /nfs/dbraw/zinc/15/08/32/187150832.db2.gz LLDVRGHJRGMRDW-VNHYZAJKSA-N 2 2 255.365 3.179 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337989830 214347247 /nfs/dbraw/zinc/34/72/47/214347247.db2.gz QYXWCTDWGSCJJY-OWCLPIDISA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337989830 214347249 /nfs/dbraw/zinc/34/72/49/214347249.db2.gz QYXWCTDWGSCJJY-OWCLPIDISA-N 2 2 270.436 3.369 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)CCC2 ZINC000337993781 214349595 /nfs/dbraw/zinc/34/95/95/214349595.db2.gz TWKJJWOVGKZDAQ-XHSDSOJGSA-N 2 2 273.424 3.237 20 0 CGADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000651911548 398306433 /nfs/dbraw/zinc/30/64/33/398306433.db2.gz FPHVCMNBROGNBD-GXTWGEPZSA-N 2 2 257.381 3.249 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423476519 529453521 /nfs/dbraw/zinc/45/35/21/529453521.db2.gz SOMKTCHCVADCGH-GOEBONIOSA-N 2 2 276.424 3.351 20 0 CGADLP CC[C@@H](C[NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000157852058 529489898 /nfs/dbraw/zinc/48/98/98/529489898.db2.gz SRXNLQNFDPYFMN-INIZCTEOSA-N 2 2 260.425 3.256 20 0 CGADLP CC[C@@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(C)cs1 ZINC000089615740 529506118 /nfs/dbraw/zinc/50/61/18/529506118.db2.gz TXXKEQWNYGGODN-UKRRQHHQSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(C)cs1 ZINC000089615740 529506120 /nfs/dbraw/zinc/50/61/20/529506120.db2.gz TXXKEQWNYGGODN-UKRRQHHQSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@@H](F)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000440500448 529553665 /nfs/dbraw/zinc/55/36/65/529553665.db2.gz BWXPHRMVIBXBIP-GXTWGEPZSA-N 2 2 261.344 3.271 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cncs1 ZINC000423516494 529611660 /nfs/dbraw/zinc/61/16/60/529611660.db2.gz XVUIDOBFVVUZMM-FZMZJTMJSA-N 2 2 275.421 3.056 20 0 CGADLP Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1C ZINC000623089039 349758309 /nfs/dbraw/zinc/75/83/09/349758309.db2.gz ROPDVQALZLCJHA-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000623089445 349758479 /nfs/dbraw/zinc/75/84/79/349758479.db2.gz HRUUZQRYLHXEQB-UHFFFAOYSA-N 2 2 286.410 3.276 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000346332568 282207584 /nfs/dbraw/zinc/20/75/84/282207584.db2.gz UWWGRYFKRNOCDO-NSHDSACASA-N 2 2 291.345 3.089 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000346332568 282207585 /nfs/dbraw/zinc/20/75/85/282207585.db2.gz UWWGRYFKRNOCDO-NSHDSACASA-N 2 2 291.345 3.089 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423237254 529619319 /nfs/dbraw/zinc/61/93/19/529619319.db2.gz HYVLBRUWULNLLF-IRXDYDNUSA-N 2 2 254.377 3.427 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623353426 349786314 /nfs/dbraw/zinc/78/63/14/349786314.db2.gz LBJQSFJBNWHRRJ-SJORKVTESA-N 3 2 297.531 3.205 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353426 349786315 /nfs/dbraw/zinc/78/63/15/349786315.db2.gz LBJQSFJBNWHRRJ-SJORKVTESA-N 3 2 297.531 3.205 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000423354345 529661479 /nfs/dbraw/zinc/66/14/79/529661479.db2.gz CTCSMXHVQTWWLV-BYCMXARLSA-N 2 2 266.816 3.379 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(C)ccc1OC ZINC000427871144 529673064 /nfs/dbraw/zinc/67/30/64/529673064.db2.gz ZKJZUUDKQNWLDF-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358150619 529690194 /nfs/dbraw/zinc/69/01/94/529690194.db2.gz DXMMFZJNAIVIBN-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC1(C)C ZINC000623406045 349801101 /nfs/dbraw/zinc/80/11/01/349801101.db2.gz HYYLSHOAAOHLJW-GFCCVEGCSA-N 2 2 295.496 3.403 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC1(C)C ZINC000623406045 349801105 /nfs/dbraw/zinc/80/11/05/349801105.db2.gz HYYLSHOAAOHLJW-GFCCVEGCSA-N 2 2 295.496 3.403 20 0 CGADLP CSCC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000351141379 219081599 /nfs/dbraw/zinc/08/15/99/219081599.db2.gz MWOPEKOPPBTUIO-MRXNPFEDSA-N 2 2 280.481 3.096 20 0 CGADLP CSCC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000351141379 219081600 /nfs/dbraw/zinc/08/16/00/219081600.db2.gz MWOPEKOPPBTUIO-MRXNPFEDSA-N 2 2 280.481 3.096 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000359636679 529706725 /nfs/dbraw/zinc/70/67/25/529706725.db2.gz HKHHJJBVAWBYGF-CYBMUJFWSA-N 2 2 252.402 3.223 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000359636679 529706727 /nfs/dbraw/zinc/70/67/27/529706727.db2.gz HKHHJJBVAWBYGF-CYBMUJFWSA-N 2 2 252.402 3.223 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368099942 529707409 /nfs/dbraw/zinc/70/74/09/529707409.db2.gz GVCAVMSBYNWJPG-GHMZBOCLSA-N 2 2 275.421 3.242 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368099942 529707412 /nfs/dbraw/zinc/70/74/12/529707412.db2.gz GVCAVMSBYNWJPG-GHMZBOCLSA-N 2 2 275.421 3.242 20 0 CGADLP CCc1nc(NCCCc2[nH+]cccc2C)cc(C)[nH+]1 ZINC000294996627 199290943 /nfs/dbraw/zinc/29/09/43/199290943.db2.gz NRXATDWYUCSRGA-UHFFFAOYSA-N 2 2 270.380 3.096 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474682 349815397 /nfs/dbraw/zinc/81/53/97/349815397.db2.gz LIBCHNNIXGSTSU-UONOGXRCSA-N 2 2 279.428 3.205 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474682 349815399 /nfs/dbraw/zinc/81/53/99/349815399.db2.gz LIBCHNNIXGSTSU-UONOGXRCSA-N 2 2 279.428 3.205 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591915734 346946739 /nfs/dbraw/zinc/94/67/39/346946739.db2.gz KAYBJSDSSNRNIN-AWEZNQCLSA-N 2 2 290.436 3.129 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591915734 346946742 /nfs/dbraw/zinc/94/67/42/346946742.db2.gz KAYBJSDSSNRNIN-AWEZNQCLSA-N 2 2 290.436 3.129 20 0 CGADLP C[C@H]([NH2+]CCc1cscn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295051942 199319949 /nfs/dbraw/zinc/31/99/49/199319949.db2.gz UPAGDLDNSIQVKR-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP CC[N@H+](CCSC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000592200110 346971376 /nfs/dbraw/zinc/97/13/76/346971376.db2.gz JPIGZYBHSGWCBV-UHFFFAOYSA-N 2 2 275.421 3.057 20 0 CGADLP CC[N@@H+](CCSC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000592200110 346971377 /nfs/dbraw/zinc/97/13/77/346971377.db2.gz JPIGZYBHSGWCBV-UHFFFAOYSA-N 2 2 275.421 3.057 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128135787 187353752 /nfs/dbraw/zinc/35/37/52/187353752.db2.gz JZGQFAGVEMILPC-CYBMUJFWSA-N 2 2 276.399 3.351 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1cccnc1)[C@H](C[NH3+])C1CC1 ZINC000359913894 530004120 /nfs/dbraw/zinc/00/41/20/530004120.db2.gz SOVFTULIQGSEJE-QGZVFWFLSA-N 2 2 297.402 3.043 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H](C[NH3+])C1CC1 ZINC000359913894 530004121 /nfs/dbraw/zinc/00/41/21/530004121.db2.gz SOVFTULIQGSEJE-QGZVFWFLSA-N 2 2 297.402 3.043 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188568 345244243 /nfs/dbraw/zinc/24/42/43/345244243.db2.gz QMKQEKUYWBJVTM-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188568 345244247 /nfs/dbraw/zinc/24/42/47/345244247.db2.gz QMKQEKUYWBJVTM-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1nc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc[nH+]1 ZINC000078333935 345600841 /nfs/dbraw/zinc/60/08/41/345600841.db2.gz ZMINXVZIMCTVOM-KRWDZBQOSA-N 2 2 296.418 3.424 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000090047305 345778337 /nfs/dbraw/zinc/77/83/37/345778337.db2.gz ATWIYQZHYFNFRU-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(C)s1 ZINC000090046687 345778780 /nfs/dbraw/zinc/77/87/80/345778780.db2.gz YUIIFPNMLGEDMN-JSGCOSHPSA-N 2 2 296.480 3.126 20 0 CGADLP c1[nH]c(C[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000091963529 345825919 /nfs/dbraw/zinc/82/59/19/345825919.db2.gz XWEDGMVZRWUMFF-DOTOQJQBSA-N 2 2 267.376 3.311 20 0 CGADLP c1[nH]c(C[N@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c[nH+]1 ZINC000091963529 345825922 /nfs/dbraw/zinc/82/59/22/345825922.db2.gz XWEDGMVZRWUMFF-DOTOQJQBSA-N 2 2 267.376 3.311 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066069 345828940 /nfs/dbraw/zinc/82/89/40/345828940.db2.gz WHNVKVOYOUXKMG-DOMZBBRYSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066069 345828943 /nfs/dbraw/zinc/82/89/43/345828943.db2.gz WHNVKVOYOUXKMG-DOMZBBRYSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066069 345828947 /nfs/dbraw/zinc/82/89/47/345828947.db2.gz WHNVKVOYOUXKMG-DOMZBBRYSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066069 345828951 /nfs/dbraw/zinc/82/89/51/345828951.db2.gz WHNVKVOYOUXKMG-DOMZBBRYSA-N 2 2 294.826 3.382 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000093866017 345890328 /nfs/dbraw/zinc/89/03/28/345890328.db2.gz DAIQZHVVANPFFD-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000093866017 345890332 /nfs/dbraw/zinc/89/03/32/345890332.db2.gz DAIQZHVVANPFFD-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000093644972 345884507 /nfs/dbraw/zinc/88/45/07/345884507.db2.gz XKRQRBHUCWLSCM-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000093644972 345884512 /nfs/dbraw/zinc/88/45/12/345884512.db2.gz XKRQRBHUCWLSCM-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000093644972 345884514 /nfs/dbraw/zinc/88/45/14/345884514.db2.gz XKRQRBHUCWLSCM-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000093644972 345884518 /nfs/dbraw/zinc/88/45/18/345884518.db2.gz XKRQRBHUCWLSCM-HIFRSBDPSA-N 2 2 264.388 3.049 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccnc3ccccc23)c[nH+]1 ZINC000111763566 345951196 /nfs/dbraw/zinc/95/11/96/345951196.db2.gz BHJRKEKZZRWXBK-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP CC(C)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000120349865 345997540 /nfs/dbraw/zinc/99/75/40/345997540.db2.gz HKDNIBKGDASYLS-UHFFFAOYSA-N 2 2 260.425 3.336 20 0 CGADLP CC(C)[NH2+]CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000166484533 346186825 /nfs/dbraw/zinc/18/68/25/346186825.db2.gz SKLZFKIBFBCGJJ-UHFFFAOYSA-N 2 2 299.374 3.201 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000227360871 346308949 /nfs/dbraw/zinc/30/89/49/346308949.db2.gz UPTQROFUGNZQAI-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000227360871 346308955 /nfs/dbraw/zinc/30/89/55/346308955.db2.gz UPTQROFUGNZQAI-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000382471043 346560315 /nfs/dbraw/zinc/56/03/15/346560315.db2.gz FQHHFKDDOIIZNO-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396445343 346580515 /nfs/dbraw/zinc/58/05/15/346580515.db2.gz CZYPLZYEKRDRBJ-ZDUSSCGKSA-N 2 2 299.418 3.386 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594746930 347215574 /nfs/dbraw/zinc/21/55/74/347215574.db2.gz HHGUSYREXGMZLO-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000594746930 347215576 /nfs/dbraw/zinc/21/55/76/347215576.db2.gz HHGUSYREXGMZLO-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@H](CSCCF)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000595018125 347258821 /nfs/dbraw/zinc/25/88/21/347258821.db2.gz QIFRZWVGOQXECZ-CYBMUJFWSA-N 2 2 293.411 3.053 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433672 215168391 /nfs/dbraw/zinc/16/83/91/215168391.db2.gz NPTWKYPSWUCVTF-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433672 215168393 /nfs/dbraw/zinc/16/83/93/215168393.db2.gz NPTWKYPSWUCVTF-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433672 215168394 /nfs/dbraw/zinc/16/83/94/215168394.db2.gz NPTWKYPSWUCVTF-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433672 215168395 /nfs/dbraw/zinc/16/83/95/215168395.db2.gz NPTWKYPSWUCVTF-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000351973168 219271030 /nfs/dbraw/zinc/27/10/30/219271030.db2.gz BBOZSJOFENYGAW-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000351973168 219271032 /nfs/dbraw/zinc/27/10/32/219271032.db2.gz BBOZSJOFENYGAW-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000351973168 219271033 /nfs/dbraw/zinc/27/10/33/219271033.db2.gz BBOZSJOFENYGAW-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000351973168 219271036 /nfs/dbraw/zinc/27/10/36/219271036.db2.gz BBOZSJOFENYGAW-DOTOQJQBSA-N 2 2 290.476 3.325 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CC[N@@H+]3C3CCCC3)c2c1C ZINC000624639610 350073004 /nfs/dbraw/zinc/07/30/04/350073004.db2.gz MSGQQKINTCTJDA-CQSZACIVSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC[C@H]3CC[N@H+]3C3CCCC3)c2c1C ZINC000624639610 350073006 /nfs/dbraw/zinc/07/30/06/350073006.db2.gz MSGQQKINTCTJDA-CQSZACIVSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000359093408 233259110 /nfs/dbraw/zinc/25/91/10/233259110.db2.gz TWFMNFHLHKLBCB-CQSZACIVSA-N 2 2 283.419 3.111 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000359093408 233259114 /nfs/dbraw/zinc/25/91/14/233259114.db2.gz TWFMNFHLHKLBCB-CQSZACIVSA-N 2 2 283.419 3.111 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000625452009 350174407 /nfs/dbraw/zinc/17/44/07/350174407.db2.gz MDHNZBCIPPQPON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000625452009 350174411 /nfs/dbraw/zinc/17/44/11/350174411.db2.gz MDHNZBCIPPQPON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000625452009 350174414 /nfs/dbraw/zinc/17/44/14/350174414.db2.gz MDHNZBCIPPQPON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000625452009 350174416 /nfs/dbraw/zinc/17/44/16/350174416.db2.gz MDHNZBCIPPQPON-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000359509807 233326261 /nfs/dbraw/zinc/32/62/61/233326261.db2.gz IGBSKGNGJLHYBM-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)cn1 ZINC000359619059 233346956 /nfs/dbraw/zinc/34/69/56/233346956.db2.gz IQSDQDCPARHXNP-LBPRGKRZSA-N 2 2 290.798 3.283 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000628195905 350435048 /nfs/dbraw/zinc/43/50/48/350435048.db2.gz SEPNPRLQAKESDX-INIZCTEOSA-N 2 2 298.434 3.372 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000628195905 350435051 /nfs/dbraw/zinc/43/50/51/350435051.db2.gz SEPNPRLQAKESDX-INIZCTEOSA-N 2 2 298.434 3.372 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000628225713 350449292 /nfs/dbraw/zinc/44/92/92/350449292.db2.gz LPYRCQYZCGFCCM-NVXWUHKLSA-N 2 2 292.492 3.125 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1cnc(C2CC2)o1)C(C)C ZINC000628227733 350450294 /nfs/dbraw/zinc/45/02/94/350450294.db2.gz QDIDUSYJVDGDPA-UHFFFAOYSA-N 2 2 279.428 3.151 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000628242257 350463285 /nfs/dbraw/zinc/46/32/85/350463285.db2.gz YFWRIYOZBMUPMA-QLFBSQMISA-N 2 2 261.413 3.004 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C2(C[NH+](C)C)CCC2)cc1 ZINC000628259912 350469665 /nfs/dbraw/zinc/46/96/65/350469665.db2.gz NBMZCNYSJIDXEV-OAHLLOKOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)[nH+]c1C ZINC000628283850 350477971 /nfs/dbraw/zinc/47/79/71/350477971.db2.gz OOHBKUSPCABSSX-INIZCTEOSA-N 2 2 296.418 3.011 20 0 CGADLP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)[nH+]c1C ZINC000628283850 350477976 /nfs/dbraw/zinc/47/79/76/350477976.db2.gz OOHBKUSPCABSSX-INIZCTEOSA-N 2 2 296.418 3.011 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CS1 ZINC000628453936 350541528 /nfs/dbraw/zinc/54/15/28/350541528.db2.gz ALNSGHSGOJGQLS-IMJJTQAJSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CS1 ZINC000628453936 350541531 /nfs/dbraw/zinc/54/15/31/350541531.db2.gz ALNSGHSGOJGQLS-IMJJTQAJSA-N 2 2 282.497 3.123 20 0 CGADLP C/C=C/C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495343 350560752 /nfs/dbraw/zinc/56/07/52/350560752.db2.gz OORSAJCMTDNHJJ-BAABZTOOSA-N 2 2 259.397 3.008 20 0 CGADLP C/C=C/C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495343 350560754 /nfs/dbraw/zinc/56/07/54/350560754.db2.gz OORSAJCMTDNHJJ-BAABZTOOSA-N 2 2 259.397 3.008 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000629526262 350702281 /nfs/dbraw/zinc/70/22/81/350702281.db2.gz OJPIWCYNDZXWBP-SOUVJXGZSA-N 2 2 294.826 3.284 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000629525923 350702397 /nfs/dbraw/zinc/70/23/97/350702397.db2.gz GQYJHTSHJRFVRH-WCFLWFBJSA-N 2 2 275.421 3.087 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cc(C)ccc1OC ZINC000629527411 350703293 /nfs/dbraw/zinc/70/32/93/350703293.db2.gz VEWQLALQAULCEC-HRCADAONSA-N 2 2 276.424 3.185 20 0 CGADLP CCc1nc(C(C)C)ccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000629534533 350704745 /nfs/dbraw/zinc/70/47/45/350704745.db2.gz ALEHQJKDJNTRNR-QWQRMKEZSA-N 2 2 289.467 3.244 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629543978 350708412 /nfs/dbraw/zinc/70/84/12/350708412.db2.gz HTINPUICHYMMQJ-DXEWXGHRSA-N 2 2 258.409 3.211 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000629543491 350708736 /nfs/dbraw/zinc/70/87/36/350708736.db2.gz AFSVYDVMXNGKHD-JCURWCKSSA-N 2 2 276.399 3.397 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000629553153 350712261 /nfs/dbraw/zinc/71/22/61/350712261.db2.gz UXACBJMCWFBNSO-YJBOKZPZSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000629553153 350712263 /nfs/dbraw/zinc/71/22/63/350712263.db2.gz UXACBJMCWFBNSO-YJBOKZPZSA-N 2 2 287.451 3.081 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000629555549 350713078 /nfs/dbraw/zinc/71/30/78/350713078.db2.gz WWBKISJFYHUZAG-RISCZKNCSA-N 2 2 286.341 3.022 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584931 350715056 /nfs/dbraw/zinc/71/50/56/350715056.db2.gz GRTSSZBYGYBZAM-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584931 350715059 /nfs/dbraw/zinc/71/50/59/350715059.db2.gz GRTSSZBYGYBZAM-VBNZEHGJSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)C[NH2+]1 ZINC000629411080 350690255 /nfs/dbraw/zinc/69/02/55/350690255.db2.gz HOCHWOKZDVCJCY-YPMHNXCESA-N 2 2 279.453 3.031 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000629510137 350698880 /nfs/dbraw/zinc/69/88/80/350698880.db2.gz RHWFVPFTUYYONR-CXAGYDPISA-N 2 2 275.440 3.215 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000629510137 350698882 /nfs/dbraw/zinc/69/88/82/350698882.db2.gz RHWFVPFTUYYONR-CXAGYDPISA-N 2 2 275.440 3.215 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000629525008 350701647 /nfs/dbraw/zinc/70/16/47/350701647.db2.gz XLIJHHCDZLIPMQ-LEWSCRJBSA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(F)cc1 ZINC000629525261 350701657 /nfs/dbraw/zinc/70/16/57/350701657.db2.gz ZGHGQMLQSCXOJT-SOUVJXGZSA-N 2 2 250.361 3.007 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)o1 ZINC000629716046 350751838 /nfs/dbraw/zinc/75/18/38/350751838.db2.gz ICMUTVYBXLZPLQ-INIZCTEOSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)o1 ZINC000629716046 350751841 /nfs/dbraw/zinc/75/18/41/350751841.db2.gz ICMUTVYBXLZPLQ-INIZCTEOSA-N 2 2 270.376 3.178 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000629650296 350730170 /nfs/dbraw/zinc/73/01/70/350730170.db2.gz NGJJLKNERQAIBI-GFCCVEGCSA-N 2 2 291.464 3.494 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cc(-c2ccccc2)ccc1OC ZINC000629650985 350730647 /nfs/dbraw/zinc/73/06/47/350730647.db2.gz FHLUUTGHEIQAOH-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cc(-c2ccccc2)ccc1OC ZINC000629650985 350730650 /nfs/dbraw/zinc/73/06/50/350730650.db2.gz FHLUUTGHEIQAOH-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000631042106 350934668 /nfs/dbraw/zinc/93/46/68/350934668.db2.gz OTLJHQMFLSJBMF-UHFFFAOYSA-N 2 2 299.393 3.288 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1-c1ccccc1 ZINC000631259917 351010075 /nfs/dbraw/zinc/01/00/75/351010075.db2.gz FUIANEJGORYZCE-ZIAGYGMSSA-N 2 2 295.308 3.221 20 0 CGADLP CCCCc1cc(NC2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000631308709 351022530 /nfs/dbraw/zinc/02/25/30/351022530.db2.gz GGXUJZPEGRARFA-UHFFFAOYSA-N 2 2 276.428 3.104 20 0 CGADLP CCC1([NH+](C)C)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000631492316 351052811 /nfs/dbraw/zinc/05/28/11/351052811.db2.gz IZDLXPREQPSJCJ-UHFFFAOYSA-N 2 2 298.434 3.128 20 0 CGADLP FC(F)(F)c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000631834909 351149844 /nfs/dbraw/zinc/14/98/44/351149844.db2.gz ICKYIYNUXJBPPA-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000631834909 351149849 /nfs/dbraw/zinc/14/98/49/351149849.db2.gz ICKYIYNUXJBPPA-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000631834470 351149907 /nfs/dbraw/zinc/14/99/07/351149907.db2.gz XWUTZSJBMIPEQJ-CQSZACIVSA-N 2 2 287.382 3.077 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000631834470 351149908 /nfs/dbraw/zinc/14/99/08/351149908.db2.gz XWUTZSJBMIPEQJ-CQSZACIVSA-N 2 2 287.382 3.077 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC000123171139 187075920 /nfs/dbraw/zinc/07/59/20/187075920.db2.gz AJRBQIMUJGXPCD-KHWCHDCRSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC000123171139 187075921 /nfs/dbraw/zinc/07/59/21/187075921.db2.gz AJRBQIMUJGXPCD-KHWCHDCRSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171139 187075922 /nfs/dbraw/zinc/07/59/22/187075922.db2.gz AJRBQIMUJGXPCD-KHWCHDCRSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171139 187075923 /nfs/dbraw/zinc/07/59/23/187075923.db2.gz AJRBQIMUJGXPCD-KHWCHDCRSA-N 2 2 258.409 3.114 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000366740629 234189029 /nfs/dbraw/zinc/18/90/29/234189029.db2.gz SMJFGGOYCGSODB-NEPJUHHUSA-N 2 2 291.420 3.181 20 0 CGADLP c1coc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000367717699 234246315 /nfs/dbraw/zinc/24/63/15/234246315.db2.gz DFVXRNNTNMOBBG-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000367717699 234246318 /nfs/dbraw/zinc/24/63/18/234246318.db2.gz DFVXRNNTNMOBBG-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000367717699 234246322 /nfs/dbraw/zinc/24/63/22/234246322.db2.gz DFVXRNNTNMOBBG-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000367717699 234246324 /nfs/dbraw/zinc/24/63/24/234246324.db2.gz DFVXRNNTNMOBBG-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1cn(-c2ccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)cc2)c[nH+]1 ZINC000152745044 188040373 /nfs/dbraw/zinc/04/03/73/188040373.db2.gz HOQLGXDBSNZOEH-HOTGVXAUSA-N 2 2 267.376 3.104 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000368579051 234323550 /nfs/dbraw/zinc/32/35/50/234323550.db2.gz SFWVBHJPQWZHNL-BBWFWOEESA-N 2 2 288.435 3.116 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000154644552 188155237 /nfs/dbraw/zinc/15/52/37/188155237.db2.gz RWGBMYSUXWHCMA-VXGBXAGGSA-N 2 2 252.427 3.055 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000154644552 188155238 /nfs/dbraw/zinc/15/52/38/188155238.db2.gz RWGBMYSUXWHCMA-VXGBXAGGSA-N 2 2 252.427 3.055 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000155717861 188223049 /nfs/dbraw/zinc/22/30/49/188223049.db2.gz OUSHGAUCJXVEOQ-ZDUSSCGKSA-N 2 2 295.333 3.225 20 0 CGADLP C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156422754 188261947 /nfs/dbraw/zinc/26/19/47/188261947.db2.gz RDZMBMBSPSROQN-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156422754 188261948 /nfs/dbraw/zinc/26/19/48/188261948.db2.gz RDZMBMBSPSROQN-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CC[N@@H+]1C ZINC000157709294 188333722 /nfs/dbraw/zinc/33/37/22/188333722.db2.gz XCXHRCDHKAUMTF-TZMCWYRMSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CC[N@H+]1C ZINC000157709294 188333724 /nfs/dbraw/zinc/33/37/24/188333724.db2.gz XCXHRCDHKAUMTF-TZMCWYRMSA-N 2 2 258.365 3.005 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423301688 282905100 /nfs/dbraw/zinc/90/51/00/282905100.db2.gz UNOBDTKIYHNMKU-HOCLYGCPSA-N 2 2 263.429 3.276 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccccn1 ZINC000158478556 188378483 /nfs/dbraw/zinc/37/84/83/188378483.db2.gz DRBYZOBYXSRTBT-CQSZACIVSA-N 2 2 294.402 3.481 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000336379734 213234041 /nfs/dbraw/zinc/23/40/41/213234041.db2.gz FUCGQFWPMFBLGH-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271766176 191312524 /nfs/dbraw/zinc/31/25/24/191312524.db2.gz AWHSOSNALHWLAK-FUHWJXTLSA-N 2 2 283.419 3.226 20 0 CGADLP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000271766176 191312526 /nfs/dbraw/zinc/31/25/26/191312526.db2.gz AWHSOSNALHWLAK-FUHWJXTLSA-N 2 2 283.419 3.226 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000271891063 191393309 /nfs/dbraw/zinc/39/33/09/191393309.db2.gz DVYAATBKHCSRTD-UHFFFAOYSA-N 2 2 263.410 3.245 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000271891063 191393312 /nfs/dbraw/zinc/39/33/12/191393312.db2.gz DVYAATBKHCSRTD-UHFFFAOYSA-N 2 2 263.410 3.245 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000271862755 191374762 /nfs/dbraw/zinc/37/47/62/191374762.db2.gz ULGKIDTVSIENSA-WBMJQRKESA-N 2 2 273.355 3.078 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414702046 291090497 /nfs/dbraw/zinc/09/04/97/291090497.db2.gz LKYFVIDKKATKAB-DZGCQCFKSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414702046 291090499 /nfs/dbraw/zinc/09/04/99/291090499.db2.gz LKYFVIDKKATKAB-DZGCQCFKSA-N 2 2 278.415 3.392 20 0 CGADLP CC[N@H+](C)[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357109 138357881 /nfs/dbraw/zinc/35/78/81/138357881.db2.gz NJXMURVZOUACGQ-MRXNPFEDSA-N 2 2 283.375 3.022 20 0 CGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cc[nH+]cc1C)c1ccccc1 ZINC000107357109 138357882 /nfs/dbraw/zinc/35/78/82/138357882.db2.gz NJXMURVZOUACGQ-MRXNPFEDSA-N 2 2 283.375 3.022 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000123692484 138369516 /nfs/dbraw/zinc/36/95/16/138369516.db2.gz KGBXTCIKSSJFFG-LBPRGKRZSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000123692484 138369518 /nfs/dbraw/zinc/36/95/18/138369518.db2.gz KGBXTCIKSSJFFG-LBPRGKRZSA-N 2 2 283.485 3.246 20 0 CGADLP CC1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000336313801 213157354 /nfs/dbraw/zinc/15/73/54/213157354.db2.gz OKSMNYSQRJTHBF-CQSZACIVSA-N 2 2 261.413 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000125347114 138381353 /nfs/dbraw/zinc/38/13/53/138381353.db2.gz SVHCJPJWOVWZEZ-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000125347114 138381354 /nfs/dbraw/zinc/38/13/54/138381354.db2.gz SVHCJPJWOVWZEZ-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP FCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000126987219 138387800 /nfs/dbraw/zinc/38/78/00/138387800.db2.gz IERQHBJGQWMQTB-UHFFFAOYSA-N 2 2 284.806 3.254 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000128459890 138394027 /nfs/dbraw/zinc/39/40/27/138394027.db2.gz BXJPTSGHTITQEP-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000128459890 138394029 /nfs/dbraw/zinc/39/40/29/138394029.db2.gz BXJPTSGHTITQEP-ZDUSSCGKSA-N 2 2 293.436 3.208 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000129794337 138398409 /nfs/dbraw/zinc/39/84/09/138398409.db2.gz RUTQEKXFLUFDGU-OAHLLOKOSA-N 2 2 276.449 3.297 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000479269647 535357798 /nfs/dbraw/zinc/35/77/98/535357798.db2.gz MADJVNWUASBGKM-SJLPKXTDSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000479269647 535357804 /nfs/dbraw/zinc/35/78/04/535357804.db2.gz MADJVNWUASBGKM-SJLPKXTDSA-N 2 2 272.436 3.453 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc2cc1C ZINC000423229295 236002949 /nfs/dbraw/zinc/00/29/49/236002949.db2.gz AQHZLEQWBKRPDQ-ZFWWWQNUSA-N 2 2 272.392 3.452 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000423231248 236003064 /nfs/dbraw/zinc/00/30/64/236003064.db2.gz ANZRKUPGYZHQCK-ZWKOTPCHSA-N 2 2 284.378 3.493 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000423233585 236004672 /nfs/dbraw/zinc/00/46/72/236004672.db2.gz DTSBVXDGYLNVRC-DLBZAZTESA-N 2 2 282.387 3.059 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000423235589 236005518 /nfs/dbraw/zinc/00/55/18/236005518.db2.gz GPTYPFASPPWJPN-SJCJKPOMSA-N 2 2 288.366 3.185 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423239906 236006526 /nfs/dbraw/zinc/00/65/26/236006526.db2.gz SVTPHOXZQDTCOY-CHWSQXEVSA-N 2 2 272.367 3.382 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423245559 236007150 /nfs/dbraw/zinc/00/71/50/236007150.db2.gz YQDUKJCILZZACU-AAEUAGOBSA-N 2 2 260.406 3.304 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000423270856 236015934 /nfs/dbraw/zinc/01/59/34/236015934.db2.gz XDHGBWWEWBOKPN-OCCSQVGLSA-N 2 2 250.386 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423339154 236043327 /nfs/dbraw/zinc/04/33/27/236043327.db2.gz ZGRBJCFAXHSJAF-SMDDNHRTSA-N 2 2 287.432 3.198 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423385974 236059052 /nfs/dbraw/zinc/05/90/52/236059052.db2.gz LATXIVAIQGSSLG-CJNGLKHVSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423354076 236048602 /nfs/dbraw/zinc/04/86/02/236048602.db2.gz CMVVEXUTRXXPMQ-OBJOEFQTSA-N 2 2 298.377 3.245 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423534093 236094297 /nfs/dbraw/zinc/09/42/97/236094297.db2.gz VCGADETYOHGMNS-CWRNSKLLSA-N 2 2 286.444 3.463 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000423554148 236098547 /nfs/dbraw/zinc/09/85/47/236098547.db2.gz LCRLNFCEXVKSHW-FZMZJTMJSA-N 2 2 297.240 3.242 20 0 CGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424379295 236158918 /nfs/dbraw/zinc/15/89/18/236158918.db2.gz VHTABENDKOWEGP-JCECYMMASA-N 2 2 288.410 3.134 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000424277821 236140468 /nfs/dbraw/zinc/14/04/68/236140468.db2.gz AYMQATQKZGYLSQ-CHWSQXEVSA-N 2 2 293.461 3.231 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)c1 ZINC000424350854 236155955 /nfs/dbraw/zinc/15/59/55/236155955.db2.gz OUNUYMSSGWHNBP-RYUDHWBXSA-N 2 2 284.831 3.197 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000294676427 199130067 /nfs/dbraw/zinc/13/00/67/199130067.db2.gz CWCUGCWTXDEJNO-ZDUSSCGKSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000294676427 199130068 /nfs/dbraw/zinc/13/00/68/199130068.db2.gz CWCUGCWTXDEJNO-ZDUSSCGKSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1c[nH+]c(CNc2cccc(C[NH+]3CCCCC3)c2)n1C ZINC000341121023 215838782 /nfs/dbraw/zinc/83/87/82/215838782.db2.gz IRXXFUOGUYBZEI-UHFFFAOYSA-N 2 2 298.434 3.327 20 0 CGADLP Fc1cccc2c1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000435904544 237002151 /nfs/dbraw/zinc/00/21/51/237002151.db2.gz XBTYTUFMEBUVJV-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP Fc1cccc2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000435904544 237002157 /nfs/dbraw/zinc/00/21/57/237002157.db2.gz XBTYTUFMEBUVJV-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP c1ccc(C[C@H]2CC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000436285356 237070336 /nfs/dbraw/zinc/07/03/36/237070336.db2.gz DSDIPNOFSQSIDQ-MOPGFXCFSA-N 2 2 286.463 3.473 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000437008895 237229137 /nfs/dbraw/zinc/22/91/37/237229137.db2.gz XKDUFBIESVYHLK-LMMKCTJWSA-N 2 2 295.430 3.298 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970365 200310799 /nfs/dbraw/zinc/31/07/99/200310799.db2.gz XENYZEYEQVUWEY-BBRMVZONSA-N 2 2 287.407 3.337 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970365 200310801 /nfs/dbraw/zinc/31/08/01/200310801.db2.gz XENYZEYEQVUWEY-BBRMVZONSA-N 2 2 287.407 3.337 20 0 CGADLP COc1cccc([C@H](C[NH2+][C@@H](C)C2CC2)[NH+]2CCCC2)c1 ZINC000177181692 189035150 /nfs/dbraw/zinc/03/51/50/189035150.db2.gz AHYVGLAQZHMMKP-KSSFIOAISA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388101 189047302 /nfs/dbraw/zinc/04/73/02/189047302.db2.gz SVWHIJSPEKCDEY-QWHCGFSZSA-N 2 2 255.365 3.321 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000178748883 189142535 /nfs/dbraw/zinc/14/25/35/189142535.db2.gz NDNPGKHUTKDKQH-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000181119310 189288983 /nfs/dbraw/zinc/28/89/83/189288983.db2.gz UOTRNMILNDBFAC-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000181119310 189288984 /nfs/dbraw/zinc/28/89/84/189288984.db2.gz UOTRNMILNDBFAC-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000181119310 189288985 /nfs/dbraw/zinc/28/89/85/189288985.db2.gz UOTRNMILNDBFAC-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181119310 189288986 /nfs/dbraw/zinc/28/89/86/189288986.db2.gz UOTRNMILNDBFAC-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP c1cn(CC[NH2+][C@@H](CC2CCC2)c2ccccc2)c[nH+]1 ZINC000181406089 189296143 /nfs/dbraw/zinc/29/61/43/189296143.db2.gz ACPDQTBFWSKJAY-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301496161 201029865 /nfs/dbraw/zinc/02/98/65/201029865.db2.gz BBIWHNUSNBRIIP-AWEZNQCLSA-N 2 2 290.455 3.306 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301496161 201029866 /nfs/dbraw/zinc/02/98/66/201029866.db2.gz BBIWHNUSNBRIIP-AWEZNQCLSA-N 2 2 290.455 3.306 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000182595112 189328923 /nfs/dbraw/zinc/32/89/23/189328923.db2.gz VVPRDRVDTNKPKN-KBMXLJTQSA-N 2 2 261.413 3.101 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CCNc1nc(C)[nH+]c(C)c1C ZINC000301692375 201143317 /nfs/dbraw/zinc/14/33/17/201143317.db2.gz OCQWETHJRUNTDJ-HNNXBMFYSA-N 2 2 276.428 3.078 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CCNc1nc(C)[nH+]c(C)c1C ZINC000301692375 201143319 /nfs/dbraw/zinc/14/33/19/201143319.db2.gz OCQWETHJRUNTDJ-HNNXBMFYSA-N 2 2 276.428 3.078 20 0 CGADLP Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c(C)[nH+]1 ZINC000301705245 201151342 /nfs/dbraw/zinc/15/13/42/201151342.db2.gz VHPOUECDDWAJDZ-UHFFFAOYSA-N 2 2 293.374 3.200 20 0 CGADLP CCCc1cc(NCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000302114862 201348079 /nfs/dbraw/zinc/34/80/79/201348079.db2.gz CEOAZMDVGBGKIJ-UHFFFAOYSA-N 2 2 280.375 3.496 20 0 CGADLP Cc1cccc(CC[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000449220673 239251933 /nfs/dbraw/zinc/25/19/33/239251933.db2.gz DTUCKSPVMBFVSE-UHFFFAOYSA-N 2 2 269.392 3.024 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000120207895 370746715 /nfs/dbraw/zinc/74/67/15/370746715.db2.gz JKDFCMQPMWRKGG-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000120207895 370746719 /nfs/dbraw/zinc/74/67/19/370746719.db2.gz JKDFCMQPMWRKGG-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000450634065 240009531 /nfs/dbraw/zinc/00/95/31/240009531.db2.gz DCQDHLNCLWOVGY-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000450634065 240009540 /nfs/dbraw/zinc/00/95/40/240009540.db2.gz DCQDHLNCLWOVGY-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451566437 240326856 /nfs/dbraw/zinc/32/68/56/240326856.db2.gz MJNISUZTBYJFGG-MAUKXSAKSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451566437 240326861 /nfs/dbraw/zinc/32/68/61/240326861.db2.gz MJNISUZTBYJFGG-MAUKXSAKSA-N 2 2 299.418 3.038 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000459321609 242070887 /nfs/dbraw/zinc/07/08/87/242070887.db2.gz GAVUREFWDJPVJV-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1cccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000459321609 242070890 /nfs/dbraw/zinc/07/08/90/242070890.db2.gz GAVUREFWDJPVJV-AWEZNQCLSA-N 2 2 289.810 3.485 20 0 CGADLP CC(C)CC[C@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000459660907 242167387 /nfs/dbraw/zinc/16/73/87/242167387.db2.gz MABFPNIFBGGHRU-GJZGRUSLSA-N 2 2 263.429 3.157 20 0 CGADLP c1ccc(NCCCC[NH2+]C[C@H]2CC=CCC2)[nH+]c1 ZINC000121645627 370881980 /nfs/dbraw/zinc/88/19/80/370881980.db2.gz LECFTDBYZTWSKE-HNNXBMFYSA-N 2 2 259.397 3.220 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c(C)c1 ZINC000479434163 243103473 /nfs/dbraw/zinc/10/34/73/243103473.db2.gz CKRWWPIUQYLPJA-LIRRHRJNSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c(C)c1 ZINC000479434163 243103479 /nfs/dbraw/zinc/10/34/79/243103479.db2.gz CKRWWPIUQYLPJA-LIRRHRJNSA-N 2 2 297.446 3.357 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C(C)C)[NH+](C)C)cc1 ZINC000479851775 243127451 /nfs/dbraw/zinc/12/74/51/243127451.db2.gz NVNVWDKYBBNRKF-YOEHRIQHSA-N 2 2 262.441 3.486 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)Cc1ccccc1 ZINC000481985211 243212213 /nfs/dbraw/zinc/21/22/13/243212213.db2.gz XNQLROTUGAWCSF-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)Cc1ccccc1 ZINC000481985211 243212215 /nfs/dbraw/zinc/21/22/15/243212215.db2.gz XNQLROTUGAWCSF-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)Cc1ccccc1 ZINC000481985211 243212220 /nfs/dbraw/zinc/21/22/20/243212220.db2.gz XNQLROTUGAWCSF-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)Cc1ccccc1 ZINC000481985211 243212223 /nfs/dbraw/zinc/21/22/23/243212223.db2.gz XNQLROTUGAWCSF-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1C ZINC000484469066 243312833 /nfs/dbraw/zinc/31/28/33/243312833.db2.gz CRNQBOUJFRNJFX-DOTOQJQBSA-N 2 2 292.492 3.391 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000484490834 243315033 /nfs/dbraw/zinc/31/50/33/243315033.db2.gz YLFDISXGEQTXRC-WBVHZDCISA-N 2 2 292.492 3.391 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000121819552 370898920 /nfs/dbraw/zinc/89/89/20/370898920.db2.gz NNMTUSDGNPMXLG-LJQANCHMSA-N 2 2 295.430 3.226 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000121819552 370898923 /nfs/dbraw/zinc/89/89/23/370898923.db2.gz NNMTUSDGNPMXLG-LJQANCHMSA-N 2 2 295.430 3.226 20 0 CGADLP c1ccc2nc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2c1 ZINC000124539967 370924124 /nfs/dbraw/zinc/92/41/24/370924124.db2.gz DWEQOOMXZUIFKW-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125210849 370932568 /nfs/dbraw/zinc/93/25/68/370932568.db2.gz AZZGFLNPFNHDTJ-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125210849 370932572 /nfs/dbraw/zinc/93/25/72/370932572.db2.gz AZZGFLNPFNHDTJ-UONOGXRCSA-N 2 2 282.790 3.196 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000019960481 368790465 /nfs/dbraw/zinc/79/04/65/368790465.db2.gz GKOISIKLSADACR-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC)cc1 ZINC000019960481 368790468 /nfs/dbraw/zinc/79/04/68/368790468.db2.gz GKOISIKLSADACR-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020007175 368793448 /nfs/dbraw/zinc/79/34/48/368793448.db2.gz NTFZKIKVZGRURO-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996639 369049145 /nfs/dbraw/zinc/04/91/45/369049145.db2.gz VFEWUDXRCXHVIO-BHYGNILZSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996639 369049148 /nfs/dbraw/zinc/04/91/48/369049148.db2.gz VFEWUDXRCXHVIO-BHYGNILZSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000036932213 369040164 /nfs/dbraw/zinc/04/01/64/369040164.db2.gz HXAMCZQXGDCRRZ-CYBMUJFWSA-N 2 2 287.432 3.463 20 0 CGADLP CCC[C@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932122 369040397 /nfs/dbraw/zinc/04/03/97/369040397.db2.gz OXPALSIREAGPLX-AWEZNQCLSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000037157043 369072216 /nfs/dbraw/zinc/07/22/16/369072216.db2.gz GMFTXHKFXDYMIS-RYUDHWBXSA-N 2 2 295.333 3.224 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000041119124 369174076 /nfs/dbraw/zinc/17/40/76/369174076.db2.gz FUAYLYYUTRKKDM-AWEZNQCLSA-N 2 2 263.772 3.277 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)[C@H](C)C2 ZINC000493205902 244117138 /nfs/dbraw/zinc/11/71/38/244117138.db2.gz OVHLHHAEHYLDLY-TWKYDXJASA-N 2 2 284.447 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)[C@H](C)C2 ZINC000493205902 244117141 /nfs/dbraw/zinc/11/71/41/244117141.db2.gz OVHLHHAEHYLDLY-TWKYDXJASA-N 2 2 284.447 3.301 20 0 CGADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044687920 369267321 /nfs/dbraw/zinc/26/73/21/369267321.db2.gz AICQSDKFRFNBKV-HOCLYGCPSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044687920 369267324 /nfs/dbraw/zinc/26/73/24/369267324.db2.gz AICQSDKFRFNBKV-HOCLYGCPSA-N 2 2 258.409 3.007 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044686097 369268060 /nfs/dbraw/zinc/26/80/60/369268060.db2.gz VWPPAPSIWARDET-ZDUSSCGKSA-N 2 2 284.403 3.322 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044686097 369268065 /nfs/dbraw/zinc/26/80/65/369268065.db2.gz VWPPAPSIWARDET-ZDUSSCGKSA-N 2 2 284.403 3.322 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc3ccccc31)CC2 ZINC000494430288 244287734 /nfs/dbraw/zinc/28/77/34/244287734.db2.gz YPFNZNOLSPZJNX-MRXNPFEDSA-N 2 2 277.371 3.141 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000494876685 244326146 /nfs/dbraw/zinc/32/61/46/244326146.db2.gz FHMNSPZZPQDZTC-FZCLSBEQSA-N 2 2 272.436 3.458 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000049574574 369410652 /nfs/dbraw/zinc/41/06/52/369410652.db2.gz AOKDAXNCPJPIEM-INIZCTEOSA-N 2 2 264.388 3.352 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000054111203 369495303 /nfs/dbraw/zinc/49/53/03/369495303.db2.gz KIFZBMPIPOTWFR-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000054111203 369495311 /nfs/dbraw/zinc/49/53/11/369495311.db2.gz KIFZBMPIPOTWFR-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC(C)([NH3+])C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058032263 369553810 /nfs/dbraw/zinc/55/38/10/369553810.db2.gz INQCYENSZJWZEN-UHFFFAOYSA-N 2 2 289.448 3.213 20 0 CGADLP C[N@H+](C/C=C/Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110011 369930910 /nfs/dbraw/zinc/93/09/10/369930910.db2.gz LIZIMSGHFAAMNG-DXWDOBMASA-N 2 2 278.827 3.193 20 0 CGADLP C[N@@H+](C/C=C/Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110011 369930911 /nfs/dbraw/zinc/93/09/11/369930911.db2.gz LIZIMSGHFAAMNG-DXWDOBMASA-N 2 2 278.827 3.193 20 0 CGADLP C[NH+](C/C=C/Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110011 369930913 /nfs/dbraw/zinc/93/09/13/369930913.db2.gz LIZIMSGHFAAMNG-DXWDOBMASA-N 2 2 278.827 3.193 20 0 CGADLP C[NH+](C/C=C/Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110011 369930914 /nfs/dbraw/zinc/93/09/14/369930914.db2.gz LIZIMSGHFAAMNG-DXWDOBMASA-N 2 2 278.827 3.193 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597876 370144531 /nfs/dbraw/zinc/14/45/31/370144531.db2.gz FQIWNUHOFRJBIA-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597876 370144537 /nfs/dbraw/zinc/14/45/37/370144537.db2.gz FQIWNUHOFRJBIA-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Clc1ccc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000112338775 370420621 /nfs/dbraw/zinc/42/06/21/370420621.db2.gz JWPITMYNUPMKAG-AWEZNQCLSA-N 2 2 261.756 3.304 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000113516416 370475916 /nfs/dbraw/zinc/47/59/16/370475916.db2.gz LNWBTSDMBRYVLB-GFCCVEGCSA-N 2 2 286.341 3.089 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000113516416 370475920 /nfs/dbraw/zinc/47/59/20/370475920.db2.gz LNWBTSDMBRYVLB-GFCCVEGCSA-N 2 2 286.341 3.089 20 0 CGADLP Cc1cccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)[nH+]1 ZINC000114183528 370492915 /nfs/dbraw/zinc/49/29/15/370492915.db2.gz KOJYOHSGXAOQCB-AWEZNQCLSA-N 2 2 271.364 3.232 20 0 CGADLP Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000116260159 370553732 /nfs/dbraw/zinc/55/37/32/370553732.db2.gz ICDRQSPYGWLKGG-UHFFFAOYSA-N 2 2 288.439 3.337 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000118446960 370616843 /nfs/dbraw/zinc/61/68/43/370616843.db2.gz FCEVFFQQVLGXSW-UHFFFAOYSA-N 2 2 284.831 3.026 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000119059945 370640561 /nfs/dbraw/zinc/64/05/61/370640561.db2.gz UXOHJZIFANJYEK-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000129609110 370994902 /nfs/dbraw/zinc/99/49/02/370994902.db2.gz RZLDIZAENGXBST-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000129609110 370994906 /nfs/dbraw/zinc/99/49/06/370994906.db2.gz RZLDIZAENGXBST-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130387623 371030296 /nfs/dbraw/zinc/03/02/96/371030296.db2.gz DVQNZMOUDHDDFQ-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130387623 371030302 /nfs/dbraw/zinc/03/03/02/371030302.db2.gz DVQNZMOUDHDDFQ-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[N@H+](C)C1CC1 ZINC000130742588 371055053 /nfs/dbraw/zinc/05/50/53/371055053.db2.gz YSNZCLZMWBEHAA-KSSFIOAISA-N 2 2 272.436 3.080 20 0 CGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[N@@H+](C)C1CC1 ZINC000130742588 371055058 /nfs/dbraw/zinc/05/50/58/371055058.db2.gz YSNZCLZMWBEHAA-KSSFIOAISA-N 2 2 272.436 3.080 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131546081 371115225 /nfs/dbraw/zinc/11/52/25/371115225.db2.gz IYQIGTOLVKCQDV-DZGCQCFKSA-N 2 2 273.380 3.258 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131545376 371115335 /nfs/dbraw/zinc/11/53/35/371115335.db2.gz IYQIGTOLVKCQDV-HIFRSBDPSA-N 2 2 273.380 3.258 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132220031 371159602 /nfs/dbraw/zinc/15/96/02/371159602.db2.gz CLTQUQQRHYCVBG-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132220031 371159604 /nfs/dbraw/zinc/15/96/04/371159604.db2.gz CLTQUQQRHYCVBG-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132462666 371176508 /nfs/dbraw/zinc/17/65/08/371176508.db2.gz OMKRJLMSBYDOJH-ZFWWWQNUSA-N 2 2 287.432 3.419 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1F ZINC000133623882 371266380 /nfs/dbraw/zinc/26/63/80/371266380.db2.gz DVUZCXBCEKMYTQ-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000134137992 371306353 /nfs/dbraw/zinc/30/63/53/371306353.db2.gz XJZAQGYIEPXBQA-GOEBONIOSA-N 2 2 280.431 3.323 20 0 CGADLP Cc1cnc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000134906655 371374338 /nfs/dbraw/zinc/37/43/38/371374338.db2.gz OVBGUKJQTHJZAH-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000136094152 371460027 /nfs/dbraw/zinc/46/00/27/371460027.db2.gz PDNZSIZLICAJLE-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000136094152 371460029 /nfs/dbraw/zinc/46/00/29/371460029.db2.gz PDNZSIZLICAJLE-NVXWUHKLSA-N 2 2 269.392 3.275 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000149916775 371530890 /nfs/dbraw/zinc/53/08/90/371530890.db2.gz XAWDUKWJSYXJJT-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000149916775 371530894 /nfs/dbraw/zinc/53/08/94/371530894.db2.gz XAWDUKWJSYXJJT-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000020090586 541855155 /nfs/dbraw/zinc/85/51/55/541855155.db2.gz PMRFFNSHNZOFGD-LLVKDONJSA-N 2 2 269.458 3.142 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)c2ccccc12 ZINC000287209960 371620274 /nfs/dbraw/zinc/62/02/74/371620274.db2.gz WVKBZSWGABMDGG-CYBMUJFWSA-N 2 2 272.392 3.061 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000151122026 371571926 /nfs/dbraw/zinc/57/19/26/371571926.db2.gz JLHDNIRKFNSGCX-HNNXBMFYSA-N 2 2 279.334 3.292 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421825027 371647650 /nfs/dbraw/zinc/64/76/50/371647650.db2.gz LIYBRUJCGAMGIP-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421825027 371647654 /nfs/dbraw/zinc/64/76/54/371647654.db2.gz LIYBRUJCGAMGIP-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000421824403 371647683 /nfs/dbraw/zinc/64/76/83/371647683.db2.gz ILYDFMUVCDQCMM-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000421824403 371647686 /nfs/dbraw/zinc/64/76/86/371647686.db2.gz ILYDFMUVCDQCMM-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2SC)[C@H](C)C1 ZINC000287590969 371680111 /nfs/dbraw/zinc/68/01/11/371680111.db2.gz RNIBUQRNOCHXQV-DOMZBBRYSA-N 2 2 296.455 3.368 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2SC)[C@H](C)C1 ZINC000287590969 371680115 /nfs/dbraw/zinc/68/01/15/371680115.db2.gz RNIBUQRNOCHXQV-DOMZBBRYSA-N 2 2 296.455 3.368 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345706 214020241 /nfs/dbraw/zinc/02/02/41/214020241.db2.gz VJKPNZNEAKTXCO-RDJZCZTQSA-N 2 2 275.440 3.038 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345706 214020244 /nfs/dbraw/zinc/02/02/44/214020244.db2.gz VJKPNZNEAKTXCO-RDJZCZTQSA-N 2 2 275.440 3.038 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422722728 371767682 /nfs/dbraw/zinc/76/76/82/371767682.db2.gz YRMGSVYWJOEWQN-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422748663 371781818 /nfs/dbraw/zinc/78/18/18/371781818.db2.gz VNOSCUVYJMLSKN-UKRRQHHQSA-N 2 2 272.392 3.361 20 0 CGADLP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422746719 371783030 /nfs/dbraw/zinc/78/30/30/371783030.db2.gz XAQLDFTWDMDEDM-HUUCEWRRSA-N 2 2 287.432 3.034 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751733 371784993 /nfs/dbraw/zinc/78/49/93/371784993.db2.gz ABXXVUQIFNBNQS-WKPIXPDZSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836748 371833093 /nfs/dbraw/zinc/83/30/93/371833093.db2.gz RYMPKWLNGGPHJA-KWCYVHTRSA-N 2 2 298.377 3.469 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786945 371809191 /nfs/dbraw/zinc/80/91/91/371809191.db2.gz PIRYRUPROZBWDK-DAXOMENPSA-N 2 2 296.842 3.148 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422810366 371822619 /nfs/dbraw/zinc/82/26/19/371822619.db2.gz RQKZKEGHPFEJNJ-RISCZKNCSA-N 2 2 282.428 3.168 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422899872 371861193 /nfs/dbraw/zinc/86/11/93/371861193.db2.gz PJHACLDSLSMHIB-ZDUSSCGKSA-N 2 2 285.391 3.134 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422899151 371861817 /nfs/dbraw/zinc/86/18/17/371861817.db2.gz GVLXPLADDZGMIR-ZIAGYGMSSA-N 2 2 286.341 3.354 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916658 371868062 /nfs/dbraw/zinc/86/80/62/371868062.db2.gz BHGPMRMCPQCSAA-VBNZEHGJSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1CCCC[NH2+]1 ZINC000422921689 371871654 /nfs/dbraw/zinc/87/16/54/371871654.db2.gz OTHYDXORFIXYDT-XJKSGUPXSA-N 2 2 272.392 3.096 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290005550 371876471 /nfs/dbraw/zinc/87/64/71/371876471.db2.gz LMQKDUXWJKLZDW-JKSUJKDBSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290005550 371876480 /nfs/dbraw/zinc/87/64/80/371876480.db2.gz LMQKDUXWJKLZDW-JKSUJKDBSA-N 2 2 283.419 3.149 20 0 CGADLP COc1cccc([C@H](C[NH2+][C@@H](C)C(C)C)[NH+]2CCCC2)c1 ZINC000154838149 371883532 /nfs/dbraw/zinc/88/35/32/371883532.db2.gz UNGZVQCZLRTDDZ-YJBOKZPZSA-N 2 2 290.451 3.466 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1(CC)CC ZINC000344077788 217040856 /nfs/dbraw/zinc/04/08/56/217040856.db2.gz QMBVADAAMVEPAK-VNQPRFMTSA-N 2 2 282.472 3.043 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1(CC)CC ZINC000344077788 217040859 /nfs/dbraw/zinc/04/08/59/217040859.db2.gz QMBVADAAMVEPAK-VNQPRFMTSA-N 2 2 282.472 3.043 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000290058045 371892077 /nfs/dbraw/zinc/89/20/77/371892077.db2.gz PDMRTSYFFNHVCL-MRXNPFEDSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000290058045 371892079 /nfs/dbraw/zinc/89/20/79/371892079.db2.gz PDMRTSYFFNHVCL-MRXNPFEDSA-N 2 2 289.810 3.453 20 0 CGADLP CC[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH+]ccn1C ZINC000290068215 371893047 /nfs/dbraw/zinc/89/30/47/371893047.db2.gz FYDIROPTCMSPIN-CYBMUJFWSA-N 2 2 256.353 3.256 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423024219 371919678 /nfs/dbraw/zinc/91/96/78/371919678.db2.gz IRSQVPKXXWXEDA-CQDKDKBSSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cncc(F)c1 ZINC000423034704 371927064 /nfs/dbraw/zinc/92/70/64/371927064.db2.gz QIOJWAYFCBZLGV-HNHYXYPQSA-N 2 2 271.339 3.016 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO[C@H]1C(C)C ZINC000290427098 371988589 /nfs/dbraw/zinc/98/85/89/371988589.db2.gz RJJRMRZGIDXQHV-ROUUACIJSA-N 2 2 290.451 3.363 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1COc2ccccc21 ZINC000290257296 371947746 /nfs/dbraw/zinc/94/77/46/371947746.db2.gz WGZKOOQMUIWMJA-MRXNPFEDSA-N 2 2 282.387 3.088 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(F)ccc1F ZINC000290295642 371955318 /nfs/dbraw/zinc/95/53/18/371955318.db2.gz HJQLSBTXVIGNQQ-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423201932 372026952 /nfs/dbraw/zinc/02/69/52/372026952.db2.gz JRDDKYPWYQMFOI-QWHCGFSZSA-N 2 2 284.856 3.162 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423246195 372042405 /nfs/dbraw/zinc/04/24/05/372042405.db2.gz MYYCBJDTBXRTHG-ZDUSSCGKSA-N 2 2 273.207 3.180 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423271114 372046523 /nfs/dbraw/zinc/04/65/23/372046523.db2.gz XGDWQTLMHDAVHP-KGLIPLIRSA-N 2 2 264.413 3.109 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c(F)c1 ZINC000423182577 372010106 /nfs/dbraw/zinc/01/01/06/372010106.db2.gz QJKHFWXIYXDKGN-LBPRGKRZSA-N 2 2 280.387 3.147 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC(C)(C)C ZINC000291131815 372121850 /nfs/dbraw/zinc/12/18/50/372121850.db2.gz WMHNGWNBPYYFNP-UHFFFAOYSA-N 2 2 272.396 3.135 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC(C)(C)C ZINC000291131815 372121855 /nfs/dbraw/zinc/12/18/55/372121855.db2.gz WMHNGWNBPYYFNP-UHFFFAOYSA-N 2 2 272.396 3.135 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423476518 372068145 /nfs/dbraw/zinc/06/81/45/372068145.db2.gz SOMKTCHCVADCGH-GDBMZVCRSA-N 2 2 276.424 3.351 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159236402 372120401 /nfs/dbraw/zinc/12/04/01/372120401.db2.gz LAZDRBFHLYQHMG-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000160153253 372218235 /nfs/dbraw/zinc/21/82/35/372218235.db2.gz WNRPDGANPFNMFB-CYBMUJFWSA-N 2 2 250.386 3.051 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000344295516 217137513 /nfs/dbraw/zinc/13/75/13/217137513.db2.gz TYTPOSLVESUROJ-IAGOWNOFSA-N 2 2 290.451 3.362 20 0 CGADLP CCOc1ccccc1C[N@H+](CC)CCCn1cc[nH+]c1 ZINC000161895024 372358594 /nfs/dbraw/zinc/35/85/94/372358594.db2.gz SLTOYIGMSTVXPR-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCOc1ccccc1C[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000161895024 372358599 /nfs/dbraw/zinc/35/85/99/372358599.db2.gz SLTOYIGMSTVXPR-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000162763278 372419434 /nfs/dbraw/zinc/41/94/34/372419434.db2.gz MQOODGFQJSVTCY-SFHVURJKSA-N 2 2 299.418 3.045 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000162763278 372419438 /nfs/dbraw/zinc/41/94/38/372419438.db2.gz MQOODGFQJSVTCY-SFHVURJKSA-N 2 2 299.418 3.045 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000293626323 372428582 /nfs/dbraw/zinc/42/85/82/372428582.db2.gz HHXZUFAQKYWGGT-GOEBONIOSA-N 2 2 290.451 3.273 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163804459 372493253 /nfs/dbraw/zinc/49/32/53/372493253.db2.gz WYYFPJIUMUNFTI-KRWDZBQOSA-N 2 2 297.402 3.169 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000166202704 372565437 /nfs/dbraw/zinc/56/54/37/372565437.db2.gz AFUMDFDGCCJXMG-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000166322279 372570604 /nfs/dbraw/zinc/57/06/04/372570604.db2.gz DBCOKSPZMCOIGF-OFQRWUPVSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000166322279 372570610 /nfs/dbraw/zinc/57/06/10/372570610.db2.gz DBCOKSPZMCOIGF-OFQRWUPVSA-N 2 2 258.409 3.271 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098841 372581375 /nfs/dbraw/zinc/58/13/75/372581375.db2.gz MOPJLQHZIAMCOP-WBVHZDCISA-N 2 2 298.434 3.001 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000294098841 372581379 /nfs/dbraw/zinc/58/13/79/372581379.db2.gz MOPJLQHZIAMCOP-WBVHZDCISA-N 2 2 298.434 3.001 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000294106289 372583514 /nfs/dbraw/zinc/58/35/14/372583514.db2.gz CLSMKFAHDRLXKQ-DZGCQCFKSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@H+]1Cc1ccccc1 ZINC000294106289 372583517 /nfs/dbraw/zinc/58/35/17/372583517.db2.gz CLSMKFAHDRLXKQ-DZGCQCFKSA-N 2 2 282.378 3.284 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2c1 ZINC000435386273 372755556 /nfs/dbraw/zinc/75/55/56/372755556.db2.gz TYSMMHAURCISFT-BLLLJJGKSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2c1 ZINC000435386273 372755565 /nfs/dbraw/zinc/75/55/65/372755565.db2.gz TYSMMHAURCISFT-BLLLJJGKSA-N 2 2 288.391 3.143 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000435735656 372799712 /nfs/dbraw/zinc/79/97/12/372799712.db2.gz OXYBWLPKMZTKRK-DZGCQCFKSA-N 2 2 290.476 3.166 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000435735656 372799715 /nfs/dbraw/zinc/79/97/15/372799715.db2.gz OXYBWLPKMZTKRK-DZGCQCFKSA-N 2 2 290.476 3.166 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000438197597 372910129 /nfs/dbraw/zinc/91/01/29/372910129.db2.gz BWWLORVOERWWGV-PBHICJAKSA-N 2 2 280.431 3.495 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000353501072 220119643 /nfs/dbraw/zinc/11/96/43/220119643.db2.gz HSYZQPUAQXHSQM-DLBZAZTESA-N 2 2 278.415 3.236 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000353501072 220119646 /nfs/dbraw/zinc/11/96/46/220119646.db2.gz HSYZQPUAQXHSQM-DLBZAZTESA-N 2 2 278.415 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344727024 217290393 /nfs/dbraw/zinc/29/03/93/217290393.db2.gz CRDVCTSRKYOBRA-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344727024 217290395 /nfs/dbraw/zinc/29/03/95/217290395.db2.gz CRDVCTSRKYOBRA-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000344725702 217290556 /nfs/dbraw/zinc/29/05/56/217290556.db2.gz QNZFACDGIOBPJV-UHFFFAOYSA-N 2 2 282.815 3.430 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000296149238 373036341 /nfs/dbraw/zinc/03/63/41/373036341.db2.gz VTZJTQILIMZMMW-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000296149238 373036346 /nfs/dbraw/zinc/03/63/46/373036346.db2.gz VTZJTQILIMZMMW-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cnc(C[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000173356987 373131259 /nfs/dbraw/zinc/13/12/59/373131259.db2.gz YOULTFXLDRXHIU-UHFFFAOYSA-N 2 2 296.374 3.239 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1F ZINC000296559915 373178188 /nfs/dbraw/zinc/17/81/88/373178188.db2.gz VCWVHQLPHYKISV-UHFFFAOYSA-N 2 2 278.415 3.487 20 0 CGADLP Clc1cnccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781733 373190613 /nfs/dbraw/zinc/19/06/13/373190613.db2.gz WMYHGTRDLQWXED-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cnccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781733 373190616 /nfs/dbraw/zinc/19/06/16/373190616.db2.gz WMYHGTRDLQWXED-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP CC[NH+](CC)[C@H](C)CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353597129 220180533 /nfs/dbraw/zinc/18/05/33/220180533.db2.gz RUWXEYUWXRLYFZ-ZBFHGGJFSA-N 2 2 292.471 3.351 20 0 CGADLP CC(C)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659242 373349975 /nfs/dbraw/zinc/34/99/75/373349975.db2.gz QTAJOVBRXOSCSX-UHFFFAOYSA-N 2 2 289.467 3.066 20 0 CGADLP CC(C)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174659242 373349978 /nfs/dbraw/zinc/34/99/78/373349978.db2.gz QTAJOVBRXOSCSX-UHFFFAOYSA-N 2 2 289.467 3.066 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000446977246 373390048 /nfs/dbraw/zinc/39/00/48/373390048.db2.gz MKXWPBHBEYGZBT-WMLDXEAASA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000446977246 373390052 /nfs/dbraw/zinc/39/00/52/373390052.db2.gz MKXWPBHBEYGZBT-WMLDXEAASA-N 2 2 258.409 3.354 20 0 CGADLP CO[C@]1(C)C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624123 220199970 /nfs/dbraw/zinc/19/99/70/220199970.db2.gz MRQCBEMVXVFGIK-FUHWJXTLSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@]1(C)C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353624123 220199972 /nfs/dbraw/zinc/19/99/72/220199972.db2.gz MRQCBEMVXVFGIK-FUHWJXTLSA-N 2 2 290.451 3.458 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2c(s1)CCC2 ZINC000345052487 217398202 /nfs/dbraw/zinc/39/82/02/217398202.db2.gz HAZWXSBZYYANNN-CYBMUJFWSA-N 2 2 293.480 3.158 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000063194584 541889007 /nfs/dbraw/zinc/88/90/07/541889007.db2.gz MLPVFINVCHCDEB-SWLSCSKDSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000063194584 541889012 /nfs/dbraw/zinc/88/90/12/541889012.db2.gz MLPVFINVCHCDEB-SWLSCSKDSA-N 2 2 282.428 3.120 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)o1 ZINC000299753594 373610165 /nfs/dbraw/zinc/61/01/65/373610165.db2.gz YSPKXFXKLFLHIY-INIZCTEOSA-N 2 2 299.418 3.419 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)o1 ZINC000299753594 373610167 /nfs/dbraw/zinc/61/01/67/373610167.db2.gz YSPKXFXKLFLHIY-INIZCTEOSA-N 2 2 299.418 3.419 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442439 373719246 /nfs/dbraw/zinc/71/92/46/373719246.db2.gz YZETWQUSIOFTRW-CPUCHLNUSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000449442439 373719255 /nfs/dbraw/zinc/71/92/55/373719255.db2.gz YZETWQUSIOFTRW-CPUCHLNUSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1(C)CC1 ZINC000177935855 373726768 /nfs/dbraw/zinc/72/67/68/373726768.db2.gz BGXIBKAIBBUOQU-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329876 373766420 /nfs/dbraw/zinc/76/64/20/373766420.db2.gz NJKFRARFHMTXMN-CABCVRRESA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329876 373766428 /nfs/dbraw/zinc/76/64/28/373766428.db2.gz NJKFRARFHMTXMN-CABCVRRESA-N 2 2 296.480 3.146 20 0 CGADLP CO[C@@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000449487929 373777153 /nfs/dbraw/zinc/77/71/53/373777153.db2.gz ZORQCAUKDJOEDJ-IBGZPJMESA-N 2 2 298.430 3.474 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSC[C@@H]2C2CC2)c[nH+]1 ZINC000449528373 373825919 /nfs/dbraw/zinc/82/59/19/373825919.db2.gz OZCGRVSOSDUEOJ-MRXNPFEDSA-N 2 2 276.449 3.150 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSC[C@@H]2C2CC2)c[nH+]1 ZINC000449528373 373825926 /nfs/dbraw/zinc/82/59/26/373825926.db2.gz OZCGRVSOSDUEOJ-MRXNPFEDSA-N 2 2 276.449 3.150 20 0 CGADLP COc1cccc2c(N(C)C[C@@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000302497321 373881368 /nfs/dbraw/zinc/88/13/68/373881368.db2.gz BROMQUVDEXQCCR-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP COc1cccc2c(N(C)C[C@@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC000302497321 373881373 /nfs/dbraw/zinc/88/13/73/373881373.db2.gz BROMQUVDEXQCCR-CQSZACIVSA-N 2 2 299.418 3.021 20 0 CGADLP C[N@H+](Cc1cccc(F)c1)Cc1cccc2[nH+]ccn21 ZINC000179560829 373888768 /nfs/dbraw/zinc/88/87/68/373888768.db2.gz BZKSWPQQACHWEK-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1)Cc1cccc2[nH+]ccn21 ZINC000179560829 373888776 /nfs/dbraw/zinc/88/87/76/373888776.db2.gz BZKSWPQQACHWEK-UHFFFAOYSA-N 2 2 269.323 3.105 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(CCC(C)C)c[nH+]2)n1C ZINC000449713020 373851596 /nfs/dbraw/zinc/85/15/96/373851596.db2.gz VKZUAPGAFJAMME-UHFFFAOYSA-N 2 2 272.396 3.324 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000179840285 373925315 /nfs/dbraw/zinc/92/53/15/373925315.db2.gz PUBALPWVTMUYKC-AWEZNQCLSA-N 2 2 287.451 3.427 20 0 CGADLP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000450212331 374000957 /nfs/dbraw/zinc/00/09/57/374000957.db2.gz BUISZJYVEGINFD-NSHDSACASA-N 2 2 261.394 3.193 20 0 CGADLP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000450212331 374000962 /nfs/dbraw/zinc/00/09/62/374000962.db2.gz BUISZJYVEGINFD-NSHDSACASA-N 2 2 261.394 3.193 20 0 CGADLP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668161 374032332 /nfs/dbraw/zinc/03/23/32/374032332.db2.gz XRCJDEXRCOJDCB-HIFRSBDPSA-N 2 2 289.448 3.440 20 0 CGADLP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668161 374032336 /nfs/dbraw/zinc/03/23/36/374032336.db2.gz XRCJDEXRCOJDCB-HIFRSBDPSA-N 2 2 289.448 3.440 20 0 CGADLP c1ccc(NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)[nH+]c1 ZINC000450419971 374117390 /nfs/dbraw/zinc/11/73/90/374117390.db2.gz BGLODCWNFHAUGQ-INIZCTEOSA-N 2 2 271.408 3.316 20 0 CGADLP c1ccc(NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)[nH+]c1 ZINC000450419971 374117399 /nfs/dbraw/zinc/11/73/99/374117399.db2.gz BGLODCWNFHAUGQ-INIZCTEOSA-N 2 2 271.408 3.316 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450450999 374137280 /nfs/dbraw/zinc/13/72/80/374137280.db2.gz IDYXDCDOOAVFQO-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000450450999 374137286 /nfs/dbraw/zinc/13/72/86/374137286.db2.gz IDYXDCDOOAVFQO-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450450999 374137293 /nfs/dbraw/zinc/13/72/93/374137293.db2.gz IDYXDCDOOAVFQO-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450450999 374137298 /nfs/dbraw/zinc/13/72/98/374137298.db2.gz IDYXDCDOOAVFQO-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CCC(C)(C)OCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000308727586 374178153 /nfs/dbraw/zinc/17/81/53/374178153.db2.gz HKERJXIZRVDDRH-UHFFFAOYSA-N 2 2 287.407 3.167 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000309778168 374197555 /nfs/dbraw/zinc/19/75/55/374197555.db2.gz CXWRZKRVTKQWEZ-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C ZINC000309778168 374197558 /nfs/dbraw/zinc/19/75/58/374197558.db2.gz CXWRZKRVTKQWEZ-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP CSC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068574 374189775 /nfs/dbraw/zinc/18/97/75/374189775.db2.gz QKGCSNLHTOTKDR-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000451068574 374189784 /nfs/dbraw/zinc/18/97/84/374189784.db2.gz QKGCSNLHTOTKDR-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000451068574 374189792 /nfs/dbraw/zinc/18/97/92/374189792.db2.gz QKGCSNLHTOTKDR-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP CSC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000451068574 374189800 /nfs/dbraw/zinc/18/98/00/374189800.db2.gz QKGCSNLHTOTKDR-CVEARBPZSA-N 2 2 284.513 3.324 20 0 CGADLP Clc1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000312619239 374286716 /nfs/dbraw/zinc/28/67/16/374286716.db2.gz UDECSWYEKBDCPF-NWDGAFQWSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312619239 374286722 /nfs/dbraw/zinc/28/67/22/374286722.db2.gz UDECSWYEKBDCPF-NWDGAFQWSA-N 2 2 270.829 3.118 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H]2C2CCCCC2)c[nH+]1 ZINC000182686985 374313846 /nfs/dbraw/zinc/31/38/46/374313846.db2.gz AEKMFQGVQSGJCR-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H]2C2CCCCC2)c[nH+]1 ZINC000182686985 374313856 /nfs/dbraw/zinc/31/38/56/374313856.db2.gz AEKMFQGVQSGJCR-INIZCTEOSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+](CC2CC2)C2CCCCC2)c[nH+]1 ZINC000183172981 374379678 /nfs/dbraw/zinc/37/96/78/374379678.db2.gz QHHOZXPWRIIOBQ-UHFFFAOYSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@@H+](CC2CC2)C2CCCCC2)c[nH+]1 ZINC000183172981 374379685 /nfs/dbraw/zinc/37/96/85/374379685.db2.gz QHHOZXPWRIIOBQ-UHFFFAOYSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183180144 374382330 /nfs/dbraw/zinc/38/23/30/374382330.db2.gz NPAKXZIVUZXXMG-HOCLYGCPSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183180144 374382333 /nfs/dbraw/zinc/38/23/33/374382333.db2.gz NPAKXZIVUZXXMG-HOCLYGCPSA-N 2 2 287.382 3.290 20 0 CGADLP CCC1([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000453273973 374384303 /nfs/dbraw/zinc/38/43/03/374384303.db2.gz ALBCWUMVUAGMES-HOCLYGCPSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000453273973 374384309 /nfs/dbraw/zinc/38/43/09/374384309.db2.gz ALBCWUMVUAGMES-HOCLYGCPSA-N 2 2 258.409 3.039 20 0 CGADLP CC(C)COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccco1 ZINC000184154101 374499188 /nfs/dbraw/zinc/49/91/88/374499188.db2.gz QHEJXQBBCOLYLE-JKSUJKDBSA-N 2 2 294.439 3.067 20 0 CGADLP CC(C)COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000184154101 374499193 /nfs/dbraw/zinc/49/91/93/374499193.db2.gz QHEJXQBBCOLYLE-JKSUJKDBSA-N 2 2 294.439 3.067 20 0 CGADLP c1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CCC2)cc1 ZINC000089912188 541956490 /nfs/dbraw/zinc/95/64/90/541956490.db2.gz QXFHMWHAULMOJQ-QGZVFWFLSA-N 2 2 258.409 3.213 20 0 CGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335519 541966589 /nfs/dbraw/zinc/96/65/89/541966589.db2.gz IINZFCBLPDPKFS-MSOLQXFVSA-N 2 2 270.420 3.212 20 0 CGADLP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335519 541966593 /nfs/dbraw/zinc/96/65/93/541966593.db2.gz IINZFCBLPDPKFS-MSOLQXFVSA-N 2 2 270.420 3.212 20 0 CGADLP CC/C=C/CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184699790 374553197 /nfs/dbraw/zinc/55/31/97/374553197.db2.gz SAMQDIBHDBSDRZ-MBVDDHJVSA-N 2 2 261.413 3.031 20 0 CGADLP CC/C=C/CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184699790 374553200 /nfs/dbraw/zinc/55/32/00/374553200.db2.gz SAMQDIBHDBSDRZ-MBVDDHJVSA-N 2 2 261.413 3.031 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000091308068 541967014 /nfs/dbraw/zinc/96/70/14/541967014.db2.gz FEMLULJRBZNVJH-DOTOQJQBSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000091308068 541967017 /nfs/dbraw/zinc/96/70/17/541967017.db2.gz FEMLULJRBZNVJH-DOTOQJQBSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185700796 374717843 /nfs/dbraw/zinc/71/78/43/374717843.db2.gz KRUVTTIJQYYLGZ-ZIAGYGMSSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700796 374717847 /nfs/dbraw/zinc/71/78/47/374717847.db2.gz KRUVTTIJQYYLGZ-ZIAGYGMSSA-N 2 2 293.480 3.194 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCCC13CCCC3)C2 ZINC000334423543 374737795 /nfs/dbraw/zinc/73/77/95/374737795.db2.gz FSDYPUIJLANZBR-XJKSGUPXSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCCC13CCCC3)CC2 ZINC000334423543 374737801 /nfs/dbraw/zinc/73/78/01/374737801.db2.gz FSDYPUIJLANZBR-XJKSGUPXSA-N 2 2 273.424 3.360 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329438 374833917 /nfs/dbraw/zinc/83/39/17/374833917.db2.gz FNNSULSJBRZRJG-DAYGRLMNSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293131850 296223676 /nfs/dbraw/zinc/22/36/76/296223676.db2.gz ZWMBTJSORKHWDF-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293131850 296223677 /nfs/dbraw/zinc/22/36/77/296223677.db2.gz ZWMBTJSORKHWDF-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293131850 296223680 /nfs/dbraw/zinc/22/36/80/296223680.db2.gz ZWMBTJSORKHWDF-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293131850 296223683 /nfs/dbraw/zinc/22/36/83/296223683.db2.gz ZWMBTJSORKHWDF-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293131856 296224195 /nfs/dbraw/zinc/22/41/95/296224195.db2.gz ZWMBTJSORKHWDF-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293131856 296224197 /nfs/dbraw/zinc/22/41/97/296224197.db2.gz ZWMBTJSORKHWDF-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293131856 296224199 /nfs/dbraw/zinc/22/41/99/296224199.db2.gz ZWMBTJSORKHWDF-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293131856 296224200 /nfs/dbraw/zinc/22/42/00/296224200.db2.gz ZWMBTJSORKHWDF-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC2(CCOCC2)[C@H]1C ZINC000334800035 375034066 /nfs/dbraw/zinc/03/40/66/375034066.db2.gz RAKZAMICTLFXCF-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC2(CCOCC2)[C@H]1C ZINC000334800035 375034067 /nfs/dbraw/zinc/03/40/67/375034067.db2.gz RAKZAMICTLFXCF-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334800035 375034073 /nfs/dbraw/zinc/03/40/73/375034073.db2.gz RAKZAMICTLFXCF-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334800035 375034075 /nfs/dbraw/zinc/03/40/75/375034075.db2.gz RAKZAMICTLFXCF-SJORKVTESA-N 2 2 294.483 3.140 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000335026013 375080347 /nfs/dbraw/zinc/08/03/47/375080347.db2.gz YAFSAELJRRVMNB-IAGOWNOFSA-N 2 2 270.351 3.369 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1c[nH+]ccc1N ZINC000335012233 375069509 /nfs/dbraw/zinc/06/95/09/375069509.db2.gz XDXRGMKXSDXLHF-IAQYHMDHSA-N 2 2 285.416 3.382 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000480914426 375160802 /nfs/dbraw/zinc/16/08/02/375160802.db2.gz QEUQKUVTHLKIEG-UXLLHSPISA-N 2 2 262.441 3.184 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000484516489 375188545 /nfs/dbraw/zinc/18/85/45/375188545.db2.gz CRPJTWMENJSRCJ-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)cc1 ZINC000484516489 375188548 /nfs/dbraw/zinc/18/85/48/375188548.db2.gz CRPJTWMENJSRCJ-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433303 375308413 /nfs/dbraw/zinc/30/84/13/375308413.db2.gz HWLDNKDPBLHKQP-UGUYLWEFSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488433303 375308417 /nfs/dbraw/zinc/30/84/17/375308417.db2.gz HWLDNKDPBLHKQP-UGUYLWEFSA-N 2 2 284.513 3.227 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCC3(CCCC3)CC1)C2 ZINC000335325818 375263015 /nfs/dbraw/zinc/26/30/15/375263015.db2.gz AFXPYPNXVPNKBL-AWEZNQCLSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCC3(CCCC3)CC1)CC2 ZINC000335325818 375263017 /nfs/dbraw/zinc/26/30/17/375263017.db2.gz AFXPYPNXVPNKBL-AWEZNQCLSA-N 2 2 273.424 3.360 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571235 375332802 /nfs/dbraw/zinc/33/28/02/375332802.db2.gz BHSZHTNEYJDTLA-CJNGLKHVSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571235 375332805 /nfs/dbraw/zinc/33/28/05/375332805.db2.gz BHSZHTNEYJDTLA-CJNGLKHVSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357640 296228997 /nfs/dbraw/zinc/22/89/97/296228997.db2.gz DTBPXOJDPXGXRG-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357640 296228999 /nfs/dbraw/zinc/22/89/99/296228999.db2.gz DTBPXOJDPXGXRG-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000495163377 375498179 /nfs/dbraw/zinc/49/81/79/375498179.db2.gz IUYHWRUYUGTOPO-QKPAOTATSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@H]2CCSC2)C1 ZINC000495163377 375498191 /nfs/dbraw/zinc/49/81/91/375498191.db2.gz IUYHWRUYUGTOPO-QKPAOTATSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000495163377 375498200 /nfs/dbraw/zinc/49/82/00/375498200.db2.gz IUYHWRUYUGTOPO-QKPAOTATSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000495163377 375498205 /nfs/dbraw/zinc/49/82/05/375498205.db2.gz IUYHWRUYUGTOPO-QKPAOTATSA-N 2 2 282.497 3.077 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502292019 375644724 /nfs/dbraw/zinc/64/47/24/375644724.db2.gz WGRVGYZMZYTNRP-JJTUDDRGSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502292019 375644730 /nfs/dbraw/zinc/64/47/30/375644730.db2.gz WGRVGYZMZYTNRP-JJTUDDRGSA-N 2 2 264.457 3.418 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000507356087 375698390 /nfs/dbraw/zinc/69/83/90/375698390.db2.gz XQYXFWCGEFBDJZ-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CCOCC1 ZINC000192141547 375702763 /nfs/dbraw/zinc/70/27/63/375702763.db2.gz JSPAVLGEYLOHLG-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CCOCC1 ZINC000192141547 375702768 /nfs/dbraw/zinc/70/27/68/375702768.db2.gz JSPAVLGEYLOHLG-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129049699 542055332 /nfs/dbraw/zinc/05/53/32/542055332.db2.gz YKAANNSHCITTGS-AWEZNQCLSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000336704794 375911754 /nfs/dbraw/zinc/91/17/54/375911754.db2.gz HJVYAEZWOUVXHH-FVQBIDKESA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000336704794 375911758 /nfs/dbraw/zinc/91/17/58/375911758.db2.gz HJVYAEZWOUVXHH-FVQBIDKESA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000193668770 375907181 /nfs/dbraw/zinc/90/71/81/375907181.db2.gz UKTKBJIUXXLDLV-HIFRSBDPSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000193668770 375907193 /nfs/dbraw/zinc/90/71/93/375907193.db2.gz UKTKBJIUXXLDLV-HIFRSBDPSA-N 2 2 298.377 3.041 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)ccc2c1 ZINC000194336485 375986096 /nfs/dbraw/zinc/98/60/96/375986096.db2.gz KOUYXTVEPVIKQN-AWEZNQCLSA-N 2 2 295.386 3.396 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000537180403 376152553 /nfs/dbraw/zinc/15/25/53/376152553.db2.gz VKUFRJLCKINJEK-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000537180403 376152558 /nfs/dbraw/zinc/15/25/58/376152558.db2.gz VKUFRJLCKINJEK-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000537180403 376152561 /nfs/dbraw/zinc/15/25/61/376152561.db2.gz VKUFRJLCKINJEK-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000537180403 376152566 /nfs/dbraw/zinc/15/25/66/376152566.db2.gz VKUFRJLCKINJEK-QRQLOZEOSA-N 2 2 286.463 3.424 20 0 CGADLP CCSCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000337263249 376174716 /nfs/dbraw/zinc/17/47/16/376174716.db2.gz RKMNBVBXIOKQJY-UHFFFAOYSA-N 2 2 281.450 3.167 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1Cl ZINC000337269099 376180308 /nfs/dbraw/zinc/18/03/08/376180308.db2.gz LJNCJNOGELUHFV-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1Cl ZINC000337269099 376180314 /nfs/dbraw/zinc/18/03/14/376180314.db2.gz LJNCJNOGELUHFV-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@H]3CCC[N@@H+]3C)ccc2c1 ZINC000221154229 376212521 /nfs/dbraw/zinc/21/25/21/376212521.db2.gz OXGVKCYVRGAAGV-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2cc(C[NH2+]C[C@H]3CCC[N@H+]3C)ccc2c1 ZINC000221154229 376212527 /nfs/dbraw/zinc/21/25/27/376212527.db2.gz OXGVKCYVRGAAGV-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1OC ZINC000221984208 376226484 /nfs/dbraw/zinc/22/64/84/376226484.db2.gz ZBUNEDOKBVKTSC-KEYYUXOJSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1OC ZINC000221984208 376226490 /nfs/dbraw/zinc/22/64/90/376226490.db2.gz ZBUNEDOKBVKTSC-KEYYUXOJSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223030556 376244782 /nfs/dbraw/zinc/24/47/82/376244782.db2.gz HOQXQKRDJKILNK-QWHCGFSZSA-N 2 2 277.799 3.146 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000538567379 376249503 /nfs/dbraw/zinc/24/95/03/376249503.db2.gz XVKUSYQDHMGFEN-RDJZCZTQSA-N 2 2 290.451 3.151 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000538567379 376249511 /nfs/dbraw/zinc/24/95/11/376249511.db2.gz XVKUSYQDHMGFEN-RDJZCZTQSA-N 2 2 290.451 3.151 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000338203195 376282451 /nfs/dbraw/zinc/28/24/51/376282451.db2.gz CFLDDOYWGVKAFG-WQGACYEGSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338203195 376282457 /nfs/dbraw/zinc/28/24/57/376282457.db2.gz CFLDDOYWGVKAFG-WQGACYEGSA-N 2 2 292.373 3.169 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093818 376293214 /nfs/dbraw/zinc/29/32/14/376293214.db2.gz PTVUMUFEEJEMPX-ZWNOBZJWSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000539093818 376293217 /nfs/dbraw/zinc/29/32/17/376293217.db2.gz PTVUMUFEEJEMPX-ZWNOBZJWSA-N 2 2 287.234 3.076 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000226699198 376370387 /nfs/dbraw/zinc/37/03/87/376370387.db2.gz GFTHGZCYPUCWQD-ROUUACIJSA-N 2 2 288.435 3.190 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000226699198 376370388 /nfs/dbraw/zinc/37/03/88/376370388.db2.gz GFTHGZCYPUCWQD-ROUUACIJSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000228276466 376433015 /nfs/dbraw/zinc/43/30/15/376433015.db2.gz GVDXQOZQPZXRIY-MZMPZRCHSA-N 2 2 270.420 3.353 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000228276466 376433023 /nfs/dbraw/zinc/43/30/23/376433023.db2.gz GVDXQOZQPZXRIY-MZMPZRCHSA-N 2 2 270.420 3.353 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000230660047 376525114 /nfs/dbraw/zinc/52/51/14/376525114.db2.gz WZURQFIWANRYRC-HUUCEWRRSA-N 2 2 273.424 3.076 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccncc2F)c[nH+]1 ZINC000338949509 376594212 /nfs/dbraw/zinc/59/42/12/376594212.db2.gz AEFSHIZGLRFIFI-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]ccc3c(OC)cccc32)CC1 ZINC000233475807 376596956 /nfs/dbraw/zinc/59/69/56/376596956.db2.gz LIGXEWPGLJQADI-UHFFFAOYSA-N 2 2 285.391 3.140 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[C@@H]1C ZINC000543393784 376635378 /nfs/dbraw/zinc/63/53/78/376635378.db2.gz LBWNXBFCIDEJFD-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[C@@H]1C ZINC000543393784 376635385 /nfs/dbraw/zinc/63/53/85/376635385.db2.gz LBWNXBFCIDEJFD-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[C@@H]1C ZINC000543393784 376635393 /nfs/dbraw/zinc/63/53/93/376635393.db2.gz LBWNXBFCIDEJFD-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC[C@@H]1C ZINC000543393784 376635398 /nfs/dbraw/zinc/63/53/98/376635398.db2.gz LBWNXBFCIDEJFD-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]cn3C)oc21 ZINC000236988432 376722302 /nfs/dbraw/zinc/72/23/02/376722302.db2.gz KEOOSIPLNBAWND-GFCCVEGCSA-N 2 2 299.374 3.416 20 0 CGADLP c1cn(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)c[nH+]1 ZINC000236611418 376671977 /nfs/dbraw/zinc/67/19/77/376671977.db2.gz RFUKGCFDGIWCEO-INIZCTEOSA-N 2 2 281.403 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339452480 376758584 /nfs/dbraw/zinc/75/85/84/376758584.db2.gz ZLHUAYUFTPRYRS-XIVBQZFQSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339452480 376758591 /nfs/dbraw/zinc/75/85/91/376758591.db2.gz ZLHUAYUFTPRYRS-XIVBQZFQSA-N 2 2 284.447 3.395 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1ccsc1 ZINC000264628659 190124020 /nfs/dbraw/zinc/12/40/20/190124020.db2.gz KDADJZCQLZLLHF-CYBMUJFWSA-N 2 2 288.420 3.130 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168546061 321910650 /nfs/dbraw/zinc/91/06/50/321910650.db2.gz HLLILBPJCNYXHR-CABCVRRESA-N 2 2 262.441 3.283 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549594 376849660 /nfs/dbraw/zinc/84/96/60/376849660.db2.gz OCXYJJKXXMOFFB-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549594 376849662 /nfs/dbraw/zinc/84/96/62/376849662.db2.gz OCXYJJKXXMOFFB-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549594 376849665 /nfs/dbraw/zinc/84/96/65/376849665.db2.gz OCXYJJKXXMOFFB-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245549594 376849667 /nfs/dbraw/zinc/84/96/67/376849667.db2.gz OCXYJJKXXMOFFB-ZIAGYGMSSA-N 2 2 287.407 3.162 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)c[nH+]c12 ZINC000245557297 376854611 /nfs/dbraw/zinc/85/46/11/376854611.db2.gz JTSYEOZGMNQJBC-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccn2c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)c[nH+]c12 ZINC000245557297 376854618 /nfs/dbraw/zinc/85/46/18/376854618.db2.gz JTSYEOZGMNQJBC-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717400 376888729 /nfs/dbraw/zinc/88/87/29/376888729.db2.gz HGBPUEHYTMRZHT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717400 376888735 /nfs/dbraw/zinc/88/87/35/376888735.db2.gz HGBPUEHYTMRZHT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717400 376888740 /nfs/dbraw/zinc/88/87/40/376888740.db2.gz HGBPUEHYTMRZHT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2F)[C@@H](C)C1 ZINC000245717400 376888746 /nfs/dbraw/zinc/88/87/46/376888746.db2.gz HGBPUEHYTMRZHT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000340208221 376949585 /nfs/dbraw/zinc/94/95/85/376949585.db2.gz CMMYENAPKZMDOS-GDBMZVCRSA-N 2 2 278.440 3.001 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340224651 376953775 /nfs/dbraw/zinc/95/37/75/376953775.db2.gz DXWFVNSAVODJSM-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340224651 376953780 /nfs/dbraw/zinc/95/37/80/376953780.db2.gz DXWFVNSAVODJSM-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000246488565 377041565 /nfs/dbraw/zinc/04/15/65/377041565.db2.gz PDOAVODCKCMPBD-GXTWGEPZSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000246488565 377041572 /nfs/dbraw/zinc/04/15/72/377041572.db2.gz PDOAVODCKCMPBD-GXTWGEPZSA-N 2 2 261.394 3.028 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000558218187 376983456 /nfs/dbraw/zinc/98/34/56/376983456.db2.gz RZSQMGJAPKNYGX-LSDHHAIUSA-N 2 2 271.408 3.291 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000246311439 377008628 /nfs/dbraw/zinc/00/86/28/377008628.db2.gz DTCCDTNPRZJDNQ-RVKKMQEKSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccoc1 ZINC000246311439 377008631 /nfs/dbraw/zinc/00/86/31/377008631.db2.gz DTCCDTNPRZJDNQ-RVKKMQEKSA-N 2 2 284.403 3.451 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000558472077 377011938 /nfs/dbraw/zinc/01/19/38/377011938.db2.gz SIYJTHLCZHPGGZ-XXQMMXQMSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000558472077 377011942 /nfs/dbraw/zinc/01/19/42/377011942.db2.gz SIYJTHLCZHPGGZ-XXQMMXQMSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000559863260 377101268 /nfs/dbraw/zinc/10/12/68/377101268.db2.gz POKYWQYDOXMNOA-ZFZWDLNGSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000559863260 377101270 /nfs/dbraw/zinc/10/12/70/377101270.db2.gz POKYWQYDOXMNOA-ZFZWDLNGSA-N 2 2 288.410 3.287 20 0 CGADLP CCC1CC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000560235576 377131044 /nfs/dbraw/zinc/13/10/44/377131044.db2.gz KCWRAQMOLWCZTQ-RYKRPPSOSA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000560235576 377131052 /nfs/dbraw/zinc/13/10/52/377131052.db2.gz KCWRAQMOLWCZTQ-RYKRPPSOSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000560343105 377140600 /nfs/dbraw/zinc/14/06/00/377140600.db2.gz GZODNNBIZBISEU-TZMCWYRMSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccsc1 ZINC000560343105 377140611 /nfs/dbraw/zinc/14/06/11/377140611.db2.gz GZODNNBIZBISEU-TZMCWYRMSA-N 2 2 252.427 3.131 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000560899983 377197304 /nfs/dbraw/zinc/19/73/04/377197304.db2.gz IVOLYUQYGCPDMU-KRWDZBQOSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000560899983 377197310 /nfs/dbraw/zinc/19/73/10/377197310.db2.gz IVOLYUQYGCPDMU-KRWDZBQOSA-N 2 2 272.436 3.179 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCc1ccc(F)cc1F)C1CC1 ZINC000560528431 377166300 /nfs/dbraw/zinc/16/63/00/377166300.db2.gz FTCJUPDHBYQRPT-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccc(F)cc1F)C1CC1 ZINC000560528431 377166308 /nfs/dbraw/zinc/16/63/08/377166308.db2.gz FTCJUPDHBYQRPT-CYBMUJFWSA-N 2 2 296.405 3.360 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000561976742 377259541 /nfs/dbraw/zinc/25/95/41/377259541.db2.gz QVJQIJCLGJELBS-HNNXBMFYSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000561976742 377259549 /nfs/dbraw/zinc/25/95/49/377259549.db2.gz QVJQIJCLGJELBS-HNNXBMFYSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000561982523 377262436 /nfs/dbraw/zinc/26/24/36/377262436.db2.gz OEGRYHZAYZAYIJ-KRWDZBQOSA-N 2 2 298.434 3.500 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000561982523 377262447 /nfs/dbraw/zinc/26/24/47/377262447.db2.gz OEGRYHZAYZAYIJ-KRWDZBQOSA-N 2 2 298.434 3.500 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248202117 377279444 /nfs/dbraw/zinc/27/94/44/377279444.db2.gz YZYMITNTKWBZJB-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248202117 377279452 /nfs/dbraw/zinc/27/94/52/377279452.db2.gz YZYMITNTKWBZJB-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248202117 377279464 /nfs/dbraw/zinc/27/94/64/377279464.db2.gz YZYMITNTKWBZJB-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248202117 377279472 /nfs/dbraw/zinc/27/94/72/377279472.db2.gz YZYMITNTKWBZJB-IIYDPXPESA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000248368794 377296560 /nfs/dbraw/zinc/29/65/60/377296560.db2.gz VORFRQJNGXZEKL-KBPBESRZSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000248368794 377296570 /nfs/dbraw/zinc/29/65/70/377296570.db2.gz VORFRQJNGXZEKL-KBPBESRZSA-N 2 2 255.365 3.103 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000249042138 377448954 /nfs/dbraw/zinc/44/89/54/377448954.db2.gz VHRCCQMCSRHWIM-OLZOCXBDSA-N 2 2 281.469 3.259 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(C(C)C)n2)C1 ZINC000249042138 377448967 /nfs/dbraw/zinc/44/89/67/377448967.db2.gz VHRCCQMCSRHWIM-OLZOCXBDSA-N 2 2 281.469 3.259 20 0 CGADLP Cc1nc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cs1 ZINC000249469470 377506301 /nfs/dbraw/zinc/50/63/01/377506301.db2.gz RPABDYQJMWYDHD-UKRRQHHQSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cs1 ZINC000249469470 377506306 /nfs/dbraw/zinc/50/63/06/377506306.db2.gz RPABDYQJMWYDHD-UKRRQHHQSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cs1 ZINC000249469470 377506312 /nfs/dbraw/zinc/50/63/12/377506312.db2.gz RPABDYQJMWYDHD-UKRRQHHQSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cs1 ZINC000249469470 377506318 /nfs/dbraw/zinc/50/63/18/377506318.db2.gz RPABDYQJMWYDHD-UKRRQHHQSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341255075 377468214 /nfs/dbraw/zinc/46/82/14/377468214.db2.gz PRMWGZVQXZOMSD-MRXNPFEDSA-N 2 2 281.403 3.273 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000163686531 542167820 /nfs/dbraw/zinc/16/78/20/542167820.db2.gz PRTZQYNDXPIBGA-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000163691647 542168583 /nfs/dbraw/zinc/16/85/83/542168583.db2.gz GHGKPIJNZZMLDZ-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP Clc1cc(C[NH2+]CCCn2cc[nH+]c2)c(Cl)s1 ZINC000312614139 249082036 /nfs/dbraw/zinc/08/20/36/249082036.db2.gz ZBEHDMQXOONYRS-UHFFFAOYSA-N 2 2 290.219 3.431 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341404437 377553429 /nfs/dbraw/zinc/55/34/29/377553429.db2.gz NKHYWWDNXVTRLP-KZNAEPCWSA-N 2 2 288.435 3.117 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000422905610 249126839 /nfs/dbraw/zinc/12/68/39/249126839.db2.gz ZJGORPLUTCSMKK-SJORKVTESA-N 2 2 276.424 3.096 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000251308916 377580345 /nfs/dbraw/zinc/58/03/45/377580345.db2.gz JTKXYCYAOCCGQK-RISCZKNCSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000251308916 377580350 /nfs/dbraw/zinc/58/03/50/377580350.db2.gz JTKXYCYAOCCGQK-RISCZKNCSA-N 2 2 270.367 3.331 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858312 249246102 /nfs/dbraw/zinc/24/61/02/249246102.db2.gz BWUVQKGKOAWUFG-WQANXHIZSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858312 249246106 /nfs/dbraw/zinc/24/61/06/249246106.db2.gz BWUVQKGKOAWUFG-WQANXHIZSA-N 2 2 284.447 3.395 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000515863072 249222013 /nfs/dbraw/zinc/22/20/13/249222013.db2.gz FGNMHCOLWRABFM-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000515863072 249222016 /nfs/dbraw/zinc/22/20/16/249222016.db2.gz FGNMHCOLWRABFM-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCCc1ccsc1 ZINC000518535844 249283128 /nfs/dbraw/zinc/28/31/28/249283128.db2.gz YXNFGHHUXPFVCZ-KRWDZBQOSA-N 2 2 286.444 3.239 20 0 CGADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCCc1ccsc1 ZINC000518535844 249283130 /nfs/dbraw/zinc/28/31/30/249283130.db2.gz YXNFGHHUXPFVCZ-KRWDZBQOSA-N 2 2 286.444 3.239 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000517369900 249264132 /nfs/dbraw/zinc/26/41/32/249264132.db2.gz CFBAQFFTHHKWOT-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1C ZINC000517369900 249264134 /nfs/dbraw/zinc/26/41/34/249264134.db2.gz CFBAQFFTHHKWOT-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000573911867 377593462 /nfs/dbraw/zinc/59/34/62/377593462.db2.gz XHSQHXCGNCFXOQ-FMKPAKJESA-N 2 2 276.424 3.265 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251832897 377601245 /nfs/dbraw/zinc/60/12/45/377601245.db2.gz PSGSWUFLFTZNEU-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251832897 377601249 /nfs/dbraw/zinc/60/12/49/377601249.db2.gz PSGSWUFLFTZNEU-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180098295 542206565 /nfs/dbraw/zinc/20/65/65/542206565.db2.gz MMIAHDCQLFVJNO-PBHICJAKSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180098295 542206569 /nfs/dbraw/zinc/20/65/69/542206569.db2.gz MMIAHDCQLFVJNO-PBHICJAKSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000252476427 377626271 /nfs/dbraw/zinc/62/62/71/377626271.db2.gz KOZKZVYKIORYSU-UBHSHLNASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000252476427 377626278 /nfs/dbraw/zinc/62/62/78/377626278.db2.gz KOZKZVYKIORYSU-UBHSHLNASA-N 2 2 280.362 3.242 20 0 CGADLP Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)nc(C)[nH+]1 ZINC000574260698 377640461 /nfs/dbraw/zinc/64/04/61/377640461.db2.gz LGZLQFPKAQOXOH-OAHLLOKOSA-N 2 2 298.390 3.222 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000574277584 377643846 /nfs/dbraw/zinc/64/38/46/377643846.db2.gz PJIFRXFFHKHSQN-OAHLLOKOSA-N 2 2 266.404 3.062 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000574277584 377643856 /nfs/dbraw/zinc/64/38/56/377643856.db2.gz PJIFRXFFHKHSQN-OAHLLOKOSA-N 2 2 266.404 3.062 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000252712003 377654111 /nfs/dbraw/zinc/65/41/11/377654111.db2.gz LFLAJJQXAKGOQJ-SSZWKKLZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C[N@H+]1C1CC1 ZINC000252712003 377654117 /nfs/dbraw/zinc/65/41/17/377654117.db2.gz LFLAJJQXAKGOQJ-SSZWKKLZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000252818523 377667189 /nfs/dbraw/zinc/66/71/89/377667189.db2.gz ZPZRVMAVLYHNGA-QKGCVVFFSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000252818523 377667194 /nfs/dbraw/zinc/66/71/94/377667194.db2.gz ZPZRVMAVLYHNGA-QKGCVVFFSA-N 2 2 250.430 3.026 20 0 CGADLP CC(C)([NH3+])C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000261910605 377867517 /nfs/dbraw/zinc/86/75/17/377867517.db2.gz ZQKGWJVPJGUUGU-UHFFFAOYSA-N 2 2 284.806 3.338 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261996345 377877261 /nfs/dbraw/zinc/87/72/61/377877261.db2.gz ULMRMYKMAZMKAQ-FKEKPDDDSA-N 2 2 297.402 3.056 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261996345 377877267 /nfs/dbraw/zinc/87/72/67/377877267.db2.gz ULMRMYKMAZMKAQ-FKEKPDDDSA-N 2 2 297.402 3.056 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000261778050 377852850 /nfs/dbraw/zinc/85/28/50/377852850.db2.gz FEQIPDBNBVBUGA-QGZVFWFLSA-N 2 2 288.435 3.049 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000261778050 377852852 /nfs/dbraw/zinc/85/28/52/377852852.db2.gz FEQIPDBNBVBUGA-QGZVFWFLSA-N 2 2 288.435 3.049 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785976 377853005 /nfs/dbraw/zinc/85/30/05/377853005.db2.gz FVRORRHSBAKAOR-NXEZZACHSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785976 377853009 /nfs/dbraw/zinc/85/30/09/377853009.db2.gz FVRORRHSBAKAOR-NXEZZACHSA-N 2 2 292.370 3.326 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000343266344 377942017 /nfs/dbraw/zinc/94/20/17/377942017.db2.gz RFFWVKNMUICMPZ-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000343324909 377953571 /nfs/dbraw/zinc/95/35/71/377953571.db2.gz YPJPGXSFVZCARR-LBPRGKRZSA-N 2 2 291.345 3.171 20 0 CGADLP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343324909 377953575 /nfs/dbraw/zinc/95/35/75/377953575.db2.gz YPJPGXSFVZCARR-LBPRGKRZSA-N 2 2 291.345 3.171 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccoc1 ZINC000575791274 377990274 /nfs/dbraw/zinc/99/02/74/377990274.db2.gz IPYOCLPRRVDABC-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@@H](C)C1 ZINC000343866335 378116889 /nfs/dbraw/zinc/11/68/89/378116889.db2.gz MUGFJFDNVBMEGP-SGTLLEGYSA-N 2 2 285.435 3.215 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)[C@@H](C)C1 ZINC000343866335 378116895 /nfs/dbraw/zinc/11/68/95/378116895.db2.gz MUGFJFDNVBMEGP-SGTLLEGYSA-N 2 2 285.435 3.215 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268812535 378118956 /nfs/dbraw/zinc/11/89/56/378118956.db2.gz LHKQFXJJRASRAE-KFWWJZLASA-N 2 2 287.407 3.062 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268812543 378119094 /nfs/dbraw/zinc/11/90/94/378119094.db2.gz LHKQFXJJRASRAE-ZNMIVQPWSA-N 2 2 287.407 3.062 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268819540 378121072 /nfs/dbraw/zinc/12/10/72/378121072.db2.gz NOCDUINCVOJWIY-KBPBESRZSA-N 2 2 280.375 3.171 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344010029 378151715 /nfs/dbraw/zinc/15/17/15/378151715.db2.gz ZXOMEDBVKVKHPL-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344010029 378151720 /nfs/dbraw/zinc/15/17/20/378151720.db2.gz ZXOMEDBVKVKHPL-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1F ZINC000268735352 378098905 /nfs/dbraw/zinc/09/89/05/378098905.db2.gz NMQCCLQZJQRXIO-ZDUSSCGKSA-N 2 2 261.344 3.072 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000343813978 378101613 /nfs/dbraw/zinc/10/16/13/378101613.db2.gz RHPCWQKRVAYXCP-IAGOWNOFSA-N 2 2 285.435 3.378 20 0 CGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cs1 ZINC000269426824 378220756 /nfs/dbraw/zinc/22/07/56/378220756.db2.gz OAJDSNIUVDMSHA-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP CC[N@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000345196068 378221383 /nfs/dbraw/zinc/22/13/83/378221383.db2.gz COALJHSSSAEMBC-QGZVFWFLSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC[NH2+]CC1 ZINC000345196068 378221386 /nfs/dbraw/zinc/22/13/86/378221386.db2.gz COALJHSSSAEMBC-QGZVFWFLSA-N 2 2 299.418 3.306 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000582359668 378306541 /nfs/dbraw/zinc/30/65/41/378306541.db2.gz BQUPEGIEBPWGPQ-UBDQQSCGSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000582359668 378306546 /nfs/dbraw/zinc/30/65/46/378306546.db2.gz BQUPEGIEBPWGPQ-UBDQQSCGSA-N 2 2 290.426 3.377 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000270478754 378357616 /nfs/dbraw/zinc/35/76/16/378357616.db2.gz HVMYFVFEECNQGT-ZDUSSCGKSA-N 2 2 276.428 3.087 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000270478754 378357622 /nfs/dbraw/zinc/35/76/22/378357622.db2.gz HVMYFVFEECNQGT-ZDUSSCGKSA-N 2 2 276.428 3.087 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946223 378417015 /nfs/dbraw/zinc/41/70/15/378417015.db2.gz ZOHMLCJOVFQSHI-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946223 378417024 /nfs/dbraw/zinc/41/70/24/378417024.db2.gz ZOHMLCJOVFQSHI-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346199745 378502078 /nfs/dbraw/zinc/50/20/78/378502078.db2.gz GSRYZXKDDSURPE-CYBMUJFWSA-N 2 2 293.461 3.261 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346199745 378502082 /nfs/dbraw/zinc/50/20/82/378502082.db2.gz GSRYZXKDDSURPE-CYBMUJFWSA-N 2 2 293.461 3.261 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H](C4CC4)C3)c2)c[nH+]1 ZINC000346230536 378513930 /nfs/dbraw/zinc/51/39/30/378513930.db2.gz WOQQGSLPZUXUOQ-CYBMUJFWSA-N 2 2 273.405 3.166 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@@H](C4CC4)C3)c2)c[nH+]1 ZINC000346230536 378513933 /nfs/dbraw/zinc/51/39/33/378513933.db2.gz WOQQGSLPZUXUOQ-CYBMUJFWSA-N 2 2 273.405 3.166 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000346345671 378553600 /nfs/dbraw/zinc/55/36/00/378553600.db2.gz WZGSBCCRGSUNOS-USSHROBNSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000346345671 378553606 /nfs/dbraw/zinc/55/36/06/378553606.db2.gz WZGSBCCRGSUNOS-USSHROBNSA-N 2 2 272.436 3.313 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000346570862 378626361 /nfs/dbraw/zinc/62/63/61/378626361.db2.gz QACRLKSHDOPFSR-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000346570862 378626364 /nfs/dbraw/zinc/62/63/64/378626364.db2.gz QACRLKSHDOPFSR-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC000346494265 378596347 /nfs/dbraw/zinc/59/63/47/378596347.db2.gz TYJUEXXJJBHJTL-YESZJQIVSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000266139670 190234175 /nfs/dbraw/zinc/23/41/75/190234175.db2.gz UBGPDRSTYWTYSW-CQSZACIVSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978358 378656440 /nfs/dbraw/zinc/65/64/40/378656440.db2.gz NYWPGNGCVCFELS-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978358 378656448 /nfs/dbraw/zinc/65/64/48/378656448.db2.gz NYWPGNGCVCFELS-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637978358 378656454 /nfs/dbraw/zinc/65/64/54/378656454.db2.gz NYWPGNGCVCFELS-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637978358 378656464 /nfs/dbraw/zinc/65/64/64/378656464.db2.gz NYWPGNGCVCFELS-HUUCEWRRSA-N 2 2 293.480 3.230 20 0 CGADLP CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000346665823 378667677 /nfs/dbraw/zinc/66/76/77/378667677.db2.gz BQJPVPHCKIRRNC-ZBFHGGJFSA-N 2 2 287.407 3.018 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000638021943 378673193 /nfs/dbraw/zinc/67/31/93/378673193.db2.gz FPPRKWSGMAEFPS-HNNXBMFYSA-N 2 2 293.480 3.231 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sn1 ZINC000638021943 378673202 /nfs/dbraw/zinc/67/32/02/378673202.db2.gz FPPRKWSGMAEFPS-HNNXBMFYSA-N 2 2 293.480 3.231 20 0 CGADLP CO[C@](C)(C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950678 378642038 /nfs/dbraw/zinc/64/20/38/378642038.db2.gz FEAVFYBAJIEYCU-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950678 378642042 /nfs/dbraw/zinc/64/20/42/378642042.db2.gz FEAVFYBAJIEYCU-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950678 378642049 /nfs/dbraw/zinc/64/20/49/378642049.db2.gz FEAVFYBAJIEYCU-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@](C)(C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000637950678 378642053 /nfs/dbraw/zinc/64/20/53/378642053.db2.gz FEAVFYBAJIEYCU-CYGHRXIMSA-N 2 2 294.483 3.139 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638288567 378757747 /nfs/dbraw/zinc/75/77/47/378757747.db2.gz UFXGKKSSMMJDTH-RCBQFDQVSA-N 2 2 296.405 3.485 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638287713 378756597 /nfs/dbraw/zinc/75/65/97/378756597.db2.gz VYDPVVLVPLLJBZ-QZTJIDSGSA-N 2 2 290.451 3.228 20 0 CGADLP CC[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000638309995 378765845 /nfs/dbraw/zinc/76/58/45/378765845.db2.gz FUQNIEGWWNXSFG-ZDUSSCGKSA-N 2 2 299.374 3.119 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CC[C@H]2C2CC2)ccc1-n1cc[nH+]c1 ZINC000348107260 378795550 /nfs/dbraw/zinc/79/55/50/378795550.db2.gz VTBWNDOAMGHTKI-HOCLYGCPSA-N 2 2 285.366 3.290 20 0 CGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000274814771 378900187 /nfs/dbraw/zinc/90/01/87/378900187.db2.gz WIEFAVYTFREGCO-INIZCTEOSA-N 2 2 297.402 3.171 20 0 CGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000274814771 378900189 /nfs/dbraw/zinc/90/01/89/378900189.db2.gz WIEFAVYTFREGCO-INIZCTEOSA-N 2 2 297.402 3.171 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000347010158 218090667 /nfs/dbraw/zinc/09/06/67/218090667.db2.gz GAVUSRVKZKQZRK-CYBMUJFWSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000347010158 218090671 /nfs/dbraw/zinc/09/06/71/218090671.db2.gz GAVUSRVKZKQZRK-CYBMUJFWSA-N 2 2 290.407 3.477 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000348364004 378929024 /nfs/dbraw/zinc/92/90/24/378929024.db2.gz BFCDITLEMXTNQB-KBPBESRZSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638788717 378912187 /nfs/dbraw/zinc/91/21/87/378912187.db2.gz RDLOWTHOHUBNAR-ONIAQPFYSA-N 2 2 299.462 3.243 20 0 CGADLP CSc1ccccc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348330531 378912220 /nfs/dbraw/zinc/91/22/20/378912220.db2.gz XSOJFDPKJNXIOX-HNNXBMFYSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348330531 378912224 /nfs/dbraw/zinc/91/22/24/378912224.db2.gz XSOJFDPKJNXIOX-HNNXBMFYSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348330531 378912227 /nfs/dbraw/zinc/91/22/27/378912227.db2.gz XSOJFDPKJNXIOX-HNNXBMFYSA-N 2 2 278.465 3.325 20 0 CGADLP CSc1ccccc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348330531 378912230 /nfs/dbraw/zinc/91/22/30/378912230.db2.gz XSOJFDPKJNXIOX-HNNXBMFYSA-N 2 2 278.465 3.325 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000346992062 218082801 /nfs/dbraw/zinc/08/28/01/218082801.db2.gz AHOPBIBHTGKPSH-JSGCOSHPSA-N 2 2 281.469 3.043 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000346992062 218082802 /nfs/dbraw/zinc/08/28/02/218082802.db2.gz AHOPBIBHTGKPSH-JSGCOSHPSA-N 2 2 281.469 3.043 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC(F)F)cc1C ZINC000346992063 218082966 /nfs/dbraw/zinc/08/29/66/218082966.db2.gz ABGLORCLQMLZOO-GXTWGEPZSA-N 2 2 298.377 3.074 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC(F)F)cc1C ZINC000346992063 218082968 /nfs/dbraw/zinc/08/29/68/218082968.db2.gz ABGLORCLQMLZOO-GXTWGEPZSA-N 2 2 298.377 3.074 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000348338234 378917128 /nfs/dbraw/zinc/91/71/28/378917128.db2.gz VCTDCQYFSCXZLQ-CQSZACIVSA-N 2 2 297.240 3.051 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917086 378952061 /nfs/dbraw/zinc/95/20/61/378952061.db2.gz ACLSDFYZJYDKGG-ZSYWTGECSA-N 2 2 284.447 3.206 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917086 378952070 /nfs/dbraw/zinc/95/20/70/378952070.db2.gz ACLSDFYZJYDKGG-ZSYWTGECSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917086 378952075 /nfs/dbraw/zinc/95/20/75/378952075.db2.gz ACLSDFYZJYDKGG-ZSYWTGECSA-N 2 2 284.447 3.206 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC000638917086 378952083 /nfs/dbraw/zinc/95/20/83/378952083.db2.gz ACLSDFYZJYDKGG-ZSYWTGECSA-N 2 2 284.447 3.206 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000347023847 218096723 /nfs/dbraw/zinc/09/67/23/218096723.db2.gz QCBOTZZASVWXJZ-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000347023847 218096724 /nfs/dbraw/zinc/09/67/24/218096724.db2.gz QCBOTZZASVWXJZ-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP Fc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000370118656 378986377 /nfs/dbraw/zinc/98/63/77/378986377.db2.gz BPEQKRFCCICHLP-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000347123469 218128936 /nfs/dbraw/zinc/12/89/36/218128936.db2.gz OBIWKNNKYVMWMM-INIZCTEOSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000347123469 218128938 /nfs/dbraw/zinc/12/89/38/218128938.db2.gz OBIWKNNKYVMWMM-INIZCTEOSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1scc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000639114515 379038981 /nfs/dbraw/zinc/03/89/81/379038981.db2.gz JVXOJVHDGPZUJB-MRXNPFEDSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccco1)CCC2 ZINC000370681948 379055564 /nfs/dbraw/zinc/05/55/64/379055564.db2.gz LHZVLYZQUQKSNT-HIFRSBDPSA-N 2 2 287.407 3.273 20 0 CGADLP C[C@H]1CCCC[C@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836767 379075255 /nfs/dbraw/zinc/07/52/55/379075255.db2.gz XURJJJSUQGBACU-DZGCQCFKSA-N 2 2 270.380 3.317 20 0 CGADLP COc1cccc2c(N3CCC[C@H]([NH+](C)C)CC3)cc[nH+]c12 ZINC000277191962 379092826 /nfs/dbraw/zinc/09/28/26/379092826.db2.gz OPJXSDJVEBPOGL-AWEZNQCLSA-N 2 2 299.418 3.164 20 0 CGADLP CCC[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OC ZINC000639174974 379092967 /nfs/dbraw/zinc/09/29/67/379092967.db2.gz DQTFCIJFKHOWBM-QGZVFWFLSA-N 2 2 293.455 3.190 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000639229097 379170107 /nfs/dbraw/zinc/17/01/07/379170107.db2.gz XQPKOGUWXJQZGO-DYVFJYSZSA-N 2 2 291.439 3.116 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)nc1 ZINC000373524856 379291876 /nfs/dbraw/zinc/29/18/76/379291876.db2.gz VMLIDSYQYRYVOV-LRVUVFPRSA-N 2 2 293.842 3.403 20 0 CGADLP c1ccc2oc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000639336556 379292125 /nfs/dbraw/zinc/29/21/25/379292125.db2.gz CXKWGXPINYKTRH-HNNXBMFYSA-N 2 2 299.418 3.039 20 0 CGADLP c1ccc2oc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000639336556 379292129 /nfs/dbraw/zinc/29/21/29/379292129.db2.gz CXKWGXPINYKTRH-HNNXBMFYSA-N 2 2 299.418 3.039 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000349377111 379257857 /nfs/dbraw/zinc/25/78/57/379257857.db2.gz IDLORWYPQDQZEI-LAVFITLUSA-N 2 2 290.451 3.083 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000349405411 379266034 /nfs/dbraw/zinc/26/60/34/379266034.db2.gz ICLJLOJINYDVGT-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000349405411 379266042 /nfs/dbraw/zinc/26/60/42/379266042.db2.gz ICLJLOJINYDVGT-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1F ZINC000349404150 379268064 /nfs/dbraw/zinc/26/80/64/379268064.db2.gz FHPPHUUUKVKUEG-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1F ZINC000349404150 379268071 /nfs/dbraw/zinc/26/80/71/379268071.db2.gz FHPPHUUUKVKUEG-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1sccc1Cl ZINC000349416718 379274404 /nfs/dbraw/zinc/27/44/04/379274404.db2.gz LGZZQMXROXLAFR-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1sccc1Cl ZINC000349416718 379274412 /nfs/dbraw/zinc/27/44/12/379274412.db2.gz LGZZQMXROXLAFR-UHFFFAOYSA-N 2 2 260.834 3.175 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2c1C ZINC000349644261 379328133 /nfs/dbraw/zinc/32/81/33/379328133.db2.gz HRGCDWQYTNLSHI-ZDUSSCGKSA-N 2 2 282.391 3.160 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000639399960 379365136 /nfs/dbraw/zinc/36/51/36/379365136.db2.gz WTVHIXXNEFWJHK-KYVUIXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000639399960 379365144 /nfs/dbraw/zinc/36/51/44/379365144.db2.gz WTVHIXXNEFWJHK-KYVUIXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccon1 ZINC000349832931 379411874 /nfs/dbraw/zinc/41/18/74/379411874.db2.gz KHPTVFVGJCOBAQ-FMKPAKJESA-N 2 2 291.439 3.368 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@@H](CO)c2ccccc2)c(C)[nH+]1 ZINC000639472932 379418775 /nfs/dbraw/zinc/41/87/75/379418775.db2.gz DELCIBWUMGWEQU-SFHVURJKSA-N 2 2 284.403 3.172 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@@H](CO)c2ccccc2)c(C)[nH+]1 ZINC000639472932 379418780 /nfs/dbraw/zinc/41/87/80/379418780.db2.gz DELCIBWUMGWEQU-SFHVURJKSA-N 2 2 284.403 3.172 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2)CC1 ZINC000349967429 379463692 /nfs/dbraw/zinc/46/36/92/379463692.db2.gz TUDFHLIUPFWQTK-YFHOEESVSA-N 2 2 258.409 3.116 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC000349967429 379463699 /nfs/dbraw/zinc/46/36/99/379463699.db2.gz TUDFHLIUPFWQTK-YFHOEESVSA-N 2 2 258.409 3.116 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000639564261 379475830 /nfs/dbraw/zinc/47/58/30/379475830.db2.gz BJXAXPAKOFKNPV-LBPRGKRZSA-N 2 2 273.380 3.463 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000639648304 379526842 /nfs/dbraw/zinc/52/68/42/379526842.db2.gz MWPGCNONUGYNRY-SJORKVTESA-N 2 2 288.435 3.396 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(C)[nH+]1 ZINC000639648304 379526849 /nfs/dbraw/zinc/52/68/49/379526849.db2.gz MWPGCNONUGYNRY-SJORKVTESA-N 2 2 288.435 3.396 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]1 ZINC000266959798 190293701 /nfs/dbraw/zinc/29/37/01/190293701.db2.gz WMJOEUPUTVUVNA-MRXNPFEDSA-N 2 2 269.392 3.222 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)[nH]1 ZINC000266959798 190293702 /nfs/dbraw/zinc/29/37/02/190293702.db2.gz WMJOEUPUTVUVNA-MRXNPFEDSA-N 2 2 269.392 3.222 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C)[nH+]1 ZINC000639878959 379621540 /nfs/dbraw/zinc/62/15/40/379621540.db2.gz SFPZCBZMMQICFU-UHFFFAOYSA-N 2 2 298.434 3.314 20 0 CGADLP Cc1cc(C)c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c(C)[nH+]1 ZINC000639878959 379621548 /nfs/dbraw/zinc/62/15/48/379621548.db2.gz SFPZCBZMMQICFU-UHFFFAOYSA-N 2 2 298.434 3.314 20 0 CGADLP CCC(=O)CCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987078 379677274 /nfs/dbraw/zinc/67/72/74/379677274.db2.gz VZKXTEMNOZDVSN-UHFFFAOYSA-N 2 2 280.456 3.086 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377718667 379729914 /nfs/dbraw/zinc/72/99/14/379729914.db2.gz PJYYEZXZPZDYKZ-UHFFFAOYSA-N 2 2 270.376 3.021 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000377718667 379729921 /nfs/dbraw/zinc/72/99/21/379729921.db2.gz PJYYEZXZPZDYKZ-UHFFFAOYSA-N 2 2 270.376 3.021 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377786546 379740648 /nfs/dbraw/zinc/74/06/48/379740648.db2.gz VFKWLWKDZFGQBA-JKSUJKDBSA-N 2 2 283.419 3.296 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377786546 379740652 /nfs/dbraw/zinc/74/06/52/379740652.db2.gz VFKWLWKDZFGQBA-JKSUJKDBSA-N 2 2 283.419 3.296 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377783741 379741174 /nfs/dbraw/zinc/74/11/74/379741174.db2.gz PFOSQKNCZKZBOJ-HZPDHXFCSA-N 2 2 283.419 3.441 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377783741 379741185 /nfs/dbraw/zinc/74/11/85/379741185.db2.gz PFOSQKNCZKZBOJ-HZPDHXFCSA-N 2 2 283.419 3.441 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3[nH]ccc31)CCC2 ZINC000377832024 379747727 /nfs/dbraw/zinc/74/77/27/379747727.db2.gz QCNULFPWOFHENJ-OAHLLOKOSA-N 2 2 294.402 3.340 20 0 CGADLP Clc1c[nH+]ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000267369208 190324761 /nfs/dbraw/zinc/32/47/61/190324761.db2.gz JPDNHVVQQOYXBL-UHFFFAOYSA-N 2 2 288.782 3.342 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000352512438 379840953 /nfs/dbraw/zinc/84/09/53/379840953.db2.gz XSZDYRAWXZQMQU-HNNXBMFYSA-N 2 2 295.496 3.435 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000352512438 379840959 /nfs/dbraw/zinc/84/09/59/379840959.db2.gz XSZDYRAWXZQMQU-HNNXBMFYSA-N 2 2 295.496 3.435 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000352535050 379847127 /nfs/dbraw/zinc/84/71/27/379847127.db2.gz LVMKSCMNRHFRNY-JTQLQIEISA-N 2 2 292.370 3.470 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000352535050 379847133 /nfs/dbraw/zinc/84/71/33/379847133.db2.gz LVMKSCMNRHFRNY-JTQLQIEISA-N 2 2 292.370 3.470 20 0 CGADLP C[C@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334640331 206842628 /nfs/dbraw/zinc/84/26/28/206842628.db2.gz LWVMENXHVIMIMB-CYBMUJFWSA-N 2 2 255.365 3.350 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389198018 379895446 /nfs/dbraw/zinc/89/54/46/379895446.db2.gz XWILZJIXFHEQCR-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389198018 379895454 /nfs/dbraw/zinc/89/54/54/379895454.db2.gz XWILZJIXFHEQCR-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352685485 379908272 /nfs/dbraw/zinc/90/82/72/379908272.db2.gz UVGQYVLRVXOSKM-GRDNDAEWSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352685485 379908280 /nfs/dbraw/zinc/90/82/80/379908280.db2.gz UVGQYVLRVXOSKM-GRDNDAEWSA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)s1 ZINC000399037098 379933456 /nfs/dbraw/zinc/93/34/56/379933456.db2.gz OPTIUBKXKWMCHO-BBBLOLIVSA-N 2 2 258.818 3.193 20 0 CGADLP Cc1scc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000399920804 379947084 /nfs/dbraw/zinc/94/70/84/379947084.db2.gz ZJLRBZDJTNCKGL-IINYFYTJSA-N 2 2 264.438 3.080 20 0 CGADLP Cc1scc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000399920804 379947089 /nfs/dbraw/zinc/94/70/89/379947089.db2.gz ZJLRBZDJTNCKGL-IINYFYTJSA-N 2 2 264.438 3.080 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400469263 379951762 /nfs/dbraw/zinc/95/17/62/379951762.db2.gz XDQGAPPNNIJWRK-YUELXQCFSA-N 2 2 276.424 3.332 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000352790597 379961711 /nfs/dbraw/zinc/96/17/11/379961711.db2.gz UXGUEPTYKRYYAM-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000352790597 379961715 /nfs/dbraw/zinc/96/17/15/379961715.db2.gz UXGUEPTYKRYYAM-AFAVFJNCSA-N 2 2 276.399 3.349 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cc[nH+]cc3F)C2)CC1 ZINC000641323671 379990905 /nfs/dbraw/zinc/99/09/05/379990905.db2.gz NDFOVJNJGZVDNC-HNNXBMFYSA-N 2 2 291.414 3.169 20 0 CGADLP CC[C@]1(C)CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347877033 218387665 /nfs/dbraw/zinc/38/76/65/218387665.db2.gz YETDRAANUYOVFB-OAHLLOKOSA-N 2 2 281.469 3.217 20 0 CGADLP CC[C@]1(C)CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347877033 218387666 /nfs/dbraw/zinc/38/76/66/218387666.db2.gz YETDRAANUYOVFB-OAHLLOKOSA-N 2 2 281.469 3.217 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000352900227 380027481 /nfs/dbraw/zinc/02/74/81/380027481.db2.gz JGVSCAKFMSNCRQ-DJIMGWMZSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000352900227 380027485 /nfs/dbraw/zinc/02/74/85/380027485.db2.gz JGVSCAKFMSNCRQ-DJIMGWMZSA-N 2 2 287.451 3.159 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCOc1ccccc1 ZINC000347917721 218399729 /nfs/dbraw/zinc/39/97/29/218399729.db2.gz HATCIDXJTMXONF-UHFFFAOYSA-N 2 2 284.403 3.381 20 0 CGADLP C[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000347917805 218399947 /nfs/dbraw/zinc/39/99/47/218399947.db2.gz HGAXRDNCKQVMJS-GFCCVEGCSA-N 2 2 297.324 3.295 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641720704 380062321 /nfs/dbraw/zinc/06/23/21/380062321.db2.gz OKHMBGAVDWOACZ-HZPDHXFCSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268110163 190377473 /nfs/dbraw/zinc/37/74/73/190377473.db2.gz MBFCTTYLLDVQIM-WMLDXEAASA-N 2 2 269.392 3.210 20 0 CGADLP CCCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000283863308 380098344 /nfs/dbraw/zinc/09/83/44/380098344.db2.gz IAYHTIVQUWDTEL-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CC(C)C[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353113811 380120134 /nfs/dbraw/zinc/12/01/34/380120134.db2.gz AOAZMIUOTLUIPV-CYBMUJFWSA-N 2 2 258.369 3.173 20 0 CGADLP CN(C)c1cc[nH+]cc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000353135840 380132766 /nfs/dbraw/zinc/13/27/66/380132766.db2.gz APWZAHNAHKHSNT-UHFFFAOYSA-N 2 2 282.391 3.034 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000353248787 380189288 /nfs/dbraw/zinc/18/92/88/380189288.db2.gz MIHYERDDYYEPSZ-PMPSAXMXSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000353248787 380189293 /nfs/dbraw/zinc/18/92/93/380189293.db2.gz MIHYERDDYYEPSZ-PMPSAXMXSA-N 2 2 281.403 3.193 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1 ZINC000414101836 380189964 /nfs/dbraw/zinc/18/99/64/380189964.db2.gz CGXHLDWFBXVUMX-JJRVBVJISA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC000414101836 380189974 /nfs/dbraw/zinc/18/99/74/380189974.db2.gz CGXHLDWFBXVUMX-JJRVBVJISA-N 2 2 276.424 3.137 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c[nH+]1 ZINC000353947109 380249402 /nfs/dbraw/zinc/24/94/02/380249402.db2.gz XGKSXPMCKLTPRF-AWEZNQCLSA-N 2 2 298.386 3.402 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000414486974 380262552 /nfs/dbraw/zinc/26/25/52/380262552.db2.gz RPSVIHRESCTBRN-GDBMZVCRSA-N 2 2 269.392 3.250 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000353988953 380266958 /nfs/dbraw/zinc/26/69/58/380266958.db2.gz YXISQNRNSSTTDA-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000353988953 380266967 /nfs/dbraw/zinc/26/69/67/380266967.db2.gz YXISQNRNSSTTDA-DLBZAZTESA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353987997 380267425 /nfs/dbraw/zinc/26/74/25/380267425.db2.gz SMTSXPRXYDLXID-VYDXJSESSA-N 2 2 299.418 3.196 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065673 380211086 /nfs/dbraw/zinc/21/10/86/380211086.db2.gz FEJNZDMXLWAUBC-HKUYNNGSSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065673 380211091 /nfs/dbraw/zinc/21/10/91/380211091.db2.gz FEJNZDMXLWAUBC-HKUYNNGSSA-N 2 2 280.415 3.066 20 0 CGADLP C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906971 380227448 /nfs/dbraw/zinc/22/74/48/380227448.db2.gz BYZJSNYQEOSCBB-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906971 380227453 /nfs/dbraw/zinc/22/74/53/380227453.db2.gz BYZJSNYQEOSCBB-HUUCEWRRSA-N 2 2 269.392 3.493 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501278 380322247 /nfs/dbraw/zinc/32/22/47/380322247.db2.gz BLHIPJRSOCBJDN-DZGCQCFKSA-N 2 2 294.826 3.285 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000354101105 380324433 /nfs/dbraw/zinc/32/44/33/380324433.db2.gz QSOJRTWRLWSMEM-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000354101105 380324438 /nfs/dbraw/zinc/32/44/38/380324438.db2.gz QSOJRTWRLWSMEM-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354101105 380324447 /nfs/dbraw/zinc/32/44/47/380324447.db2.gz QSOJRTWRLWSMEM-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354101105 380324455 /nfs/dbraw/zinc/32/44/55/380324455.db2.gz QSOJRTWRLWSMEM-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643503010 380326190 /nfs/dbraw/zinc/32/61/90/380326190.db2.gz YGBCRAZSSJJMIY-ZIAGYGMSSA-N 2 2 252.427 3.321 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1nccc2ccccc21 ZINC000643502443 380326258 /nfs/dbraw/zinc/32/62/58/380326258.db2.gz GVRBODXTKOWPFD-DZGCQCFKSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2c2ccco2)c[nH+]1 ZINC000414585067 380328897 /nfs/dbraw/zinc/32/88/97/380328897.db2.gz NOTWBINBKAKGKX-HUUCEWRRSA-N 2 2 256.349 3.061 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000643506571 380328832 /nfs/dbraw/zinc/32/88/32/380328832.db2.gz BNQLMGNKBYAOKV-JTQLQIEISA-N 2 2 278.783 3.489 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000643506492 380328855 /nfs/dbraw/zinc/32/88/55/380328855.db2.gz YSRKDCZWWFEGOZ-AWEZNQCLSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)o1 ZINC000643507278 380330184 /nfs/dbraw/zinc/33/01/84/380330184.db2.gz XYVLPMBWFKXUNB-INIZCTEOSA-N 2 2 262.397 3.161 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000414533071 380305638 /nfs/dbraw/zinc/30/56/38/380305638.db2.gz BCIHVQXTUPNAML-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000414533071 380305642 /nfs/dbraw/zinc/30/56/42/380305642.db2.gz BCIHVQXTUPNAML-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205834 380364531 /nfs/dbraw/zinc/36/45/31/380364531.db2.gz JHUDQXCOMUEEET-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205834 380364533 /nfs/dbraw/zinc/36/45/33/380364533.db2.gz JHUDQXCOMUEEET-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205834 380364535 /nfs/dbraw/zinc/36/45/35/380364535.db2.gz JHUDQXCOMUEEET-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2OC)C[C@@H]1C ZINC000354205834 380364540 /nfs/dbraw/zinc/36/45/40/380364540.db2.gz JHUDQXCOMUEEET-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP [NH3+]CCC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000414695740 380378940 /nfs/dbraw/zinc/37/89/40/380378940.db2.gz ORZHEPVNJDBOSD-UHFFFAOYSA-N 2 2 268.351 3.058 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000414695740 380378947 /nfs/dbraw/zinc/37/89/47/380378947.db2.gz ORZHEPVNJDBOSD-UHFFFAOYSA-N 2 2 268.351 3.058 20 0 CGADLP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703250 380381922 /nfs/dbraw/zinc/38/19/22/380381922.db2.gz JKKPOYRREGFXEO-HIFRSBDPSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703250 380381926 /nfs/dbraw/zinc/38/19/26/380381926.db2.gz JKKPOYRREGFXEO-HIFRSBDPSA-N 2 2 282.378 3.142 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000414755589 380392513 /nfs/dbraw/zinc/39/25/13/380392513.db2.gz HQFJCJKHYUIGDC-WOPDTQHZSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000414755589 380392522 /nfs/dbraw/zinc/39/25/22/380392522.db2.gz HQFJCJKHYUIGDC-WOPDTQHZSA-N 2 2 266.351 3.023 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H](C)[NH3+])cs2)cs1 ZINC000643529203 380346940 /nfs/dbraw/zinc/34/69/40/380346940.db2.gz WXZOAELPCYFGKT-IUCAKERBSA-N 2 2 281.450 3.178 20 0 CGADLP CCCOc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000354167207 380351360 /nfs/dbraw/zinc/35/13/60/380351360.db2.gz WNJNFLBKSVLFSC-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000643538067 380355782 /nfs/dbraw/zinc/35/57/82/380355782.db2.gz XTPSFJYPZNGLPV-KCQAQPDRSA-N 2 2 282.428 3.269 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000414658341 380356365 /nfs/dbraw/zinc/35/63/65/380356365.db2.gz QNCAYMUUJVRRSV-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000414658341 380356373 /nfs/dbraw/zinc/35/63/73/380356373.db2.gz QNCAYMUUJVRRSV-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414658040 380356691 /nfs/dbraw/zinc/35/66/91/380356691.db2.gz IXDVBBDLKRFLIU-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414658040 380356700 /nfs/dbraw/zinc/35/67/00/380356700.db2.gz IXDVBBDLKRFLIU-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000354200940 380362410 /nfs/dbraw/zinc/36/24/10/380362410.db2.gz RMFOTXFEGRVPLO-ZOBUZTSGSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H](F)CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000354200940 380362412 /nfs/dbraw/zinc/36/24/12/380362412.db2.gz RMFOTXFEGRVPLO-ZOBUZTSGSA-N 2 2 278.415 3.235 20 0 CGADLP CCO[C@@H](CC[NH2+]CCCc1ccc(C)[nH+]c1)C(C)C ZINC000354491113 380458714 /nfs/dbraw/zinc/45/87/14/380458714.db2.gz CVEXVRSYYITVCE-KRWDZBQOSA-N 2 2 278.440 3.363 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000348100959 218459210 /nfs/dbraw/zinc/45/92/10/218459210.db2.gz GYLDCQHDYLXEKG-GOEBONIOSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)cc1 ZINC000414826908 380435362 /nfs/dbraw/zinc/43/53/62/380435362.db2.gz JYGARKVLERMHQG-XYPWUTKMSA-N 2 2 297.402 3.023 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000414826432 380436234 /nfs/dbraw/zinc/43/62/34/380436234.db2.gz FNEIYQOEOLLNQF-MRXNPFEDSA-N 2 2 288.366 3.014 20 0 CGADLP CC1(C)Cc2cccc(C[NH2+]C[C@H]([NH3+])c3ccccc3)c2O1 ZINC000414829961 380438465 /nfs/dbraw/zinc/43/84/65/380438465.db2.gz LKESBGWWPZXAFX-KRWDZBQOSA-N 2 2 296.414 3.190 20 0 CGADLP COc1cc(C)ccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354457224 380446551 /nfs/dbraw/zinc/44/65/51/380446551.db2.gz FHGIGJULWJTLJP-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000354461289 380448351 /nfs/dbraw/zinc/44/83/51/380448351.db2.gz IIZQWZVJEIONNJ-GVDBMIGSSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc2cc(C[NH2+]C[C@H]([NH3+])C(C)C)oc2cc1C ZINC000414792991 380408348 /nfs/dbraw/zinc/40/83/48/380408348.db2.gz JNMJTWSEJZJHGC-HNNXBMFYSA-N 2 2 260.381 3.123 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414806249 380418944 /nfs/dbraw/zinc/41/89/44/380418944.db2.gz PZLHYKDKTXGKBF-UHFFFAOYSA-N 2 2 269.458 3.048 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000354572396 380490441 /nfs/dbraw/zinc/49/04/41/380490441.db2.gz QMZYSEDHNDUQRS-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414934475 380496574 /nfs/dbraw/zinc/49/65/74/380496574.db2.gz BPFZJCUEXALJKO-DOMZBBRYSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414940734 380498387 /nfs/dbraw/zinc/49/83/87/380498387.db2.gz XWLVEORYASPHQG-RNCFNFMXSA-N 2 2 273.207 3.081 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]1 ZINC000414944216 380500013 /nfs/dbraw/zinc/50/00/13/380500013.db2.gz GIIXBCDRMXGVDZ-WCBMZHEXSA-N 2 2 291.197 3.363 20 0 CGADLP CC1CC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414946924 380502497 /nfs/dbraw/zinc/50/24/97/380502497.db2.gz UZBTUJMDEVEHSN-UAIPMZCESA-N 2 2 254.377 3.228 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@@H]2CCCCO2)c[nH+]1 ZINC000354622673 380505140 /nfs/dbraw/zinc/50/51/40/380505140.db2.gz BEUBKYJYOKJKEH-KRWDZBQOSA-N 2 2 276.424 3.262 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(F)cccc2F)CCCCCC1 ZINC000414859747 380459237 /nfs/dbraw/zinc/45/92/37/380459237.db2.gz NNILTRRVVPIYOS-UHFFFAOYSA-N 2 2 268.351 3.106 20 0 CGADLP C[C@@H](CC[NH+](C)C)Nc1[nH+]cccc1OCc1ccccc1 ZINC000354522357 380469470 /nfs/dbraw/zinc/46/94/70/380469470.db2.gz NAUSBAPLUYURSV-HNNXBMFYSA-N 2 2 299.418 3.413 20 0 CGADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(OCC2CCCCC2)c1 ZINC000414879879 380472645 /nfs/dbraw/zinc/47/26/45/380472645.db2.gz JJZIKCCBXMQYFI-QGZVFWFLSA-N 2 2 288.435 3.097 20 0 CGADLP c1ccc(N2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)[nH+]c1 ZINC000354543792 380479775 /nfs/dbraw/zinc/47/97/75/380479775.db2.gz PRFWFVZNEKXLEF-UHFFFAOYSA-N 2 2 294.402 3.046 20 0 CGADLP CC(C)CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccoc1 ZINC000279120218 194292647 /nfs/dbraw/zinc/29/26/47/194292647.db2.gz XDGCVIISQVSZCI-INIZCTEOSA-N 2 2 264.413 3.441 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342868 380600008 /nfs/dbraw/zinc/60/00/08/380600008.db2.gz NLGMHNPXMMLEEC-LXFSFDBISA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342868 380600016 /nfs/dbraw/zinc/60/00/16/380600016.db2.gz NLGMHNPXMMLEEC-LXFSFDBISA-N 2 2 278.465 3.312 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393711 380667408 /nfs/dbraw/zinc/66/74/08/380667408.db2.gz ZUJFMSWYXPZOAP-CXAGYDPISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393711 380667409 /nfs/dbraw/zinc/66/74/09/380667409.db2.gz ZUJFMSWYXPZOAP-CXAGYDPISA-N 2 2 258.409 3.309 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000418027304 380694042 /nfs/dbraw/zinc/69/40/42/380694042.db2.gz GGPNTAQBVNOALP-UHOSZYNNSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000418027304 380694050 /nfs/dbraw/zinc/69/40/50/380694050.db2.gz GGPNTAQBVNOALP-UHOSZYNNSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000355733544 380762603 /nfs/dbraw/zinc/76/26/03/380762603.db2.gz LOSFNMZGOQNGFV-RBSFLKMASA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000355733544 380762608 /nfs/dbraw/zinc/76/26/08/380762608.db2.gz LOSFNMZGOQNGFV-RBSFLKMASA-N 2 2 282.472 3.043 20 0 CGADLP C[NH+](C)CC1([NH2+]CCc2ccc(F)cc2Cl)CCC1 ZINC000356309188 380796357 /nfs/dbraw/zinc/79/63/57/380796357.db2.gz TYEUWLXSHKXZBO-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP Oc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000646071559 380821769 /nfs/dbraw/zinc/82/17/69/380821769.db2.gz SJOFZXQTLGWDEG-ZDUSSCGKSA-N 2 2 291.782 3.079 20 0 CGADLP Oc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000646071559 380821773 /nfs/dbraw/zinc/82/17/73/380821773.db2.gz SJOFZXQTLGWDEG-ZDUSSCGKSA-N 2 2 291.782 3.079 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000420327842 380848575 /nfs/dbraw/zinc/84/85/75/380848575.db2.gz ZGVBLPWVNPKGCR-YPMHNXCESA-N 2 2 289.448 3.459 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] ZINC000420327842 380848581 /nfs/dbraw/zinc/84/85/81/380848581.db2.gz ZGVBLPWVNPKGCR-YPMHNXCESA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781193 207063155 /nfs/dbraw/zinc/06/31/55/207063155.db2.gz JONNUTTXYXLBRI-PWSUYJOCSA-N 2 2 283.297 3.107 20 0 CGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781193 207063159 /nfs/dbraw/zinc/06/31/59/207063159.db2.gz JONNUTTXYXLBRI-PWSUYJOCSA-N 2 2 283.297 3.107 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000357348948 381121415 /nfs/dbraw/zinc/12/14/15/381121415.db2.gz HSOOTNKOGJFVKW-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357348948 381121418 /nfs/dbraw/zinc/12/14/18/381121418.db2.gz HSOOTNKOGJFVKW-WBVHZDCISA-N 2 2 260.425 3.287 20 0 CGADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000360006027 381406524 /nfs/dbraw/zinc/40/65/24/381406524.db2.gz KMSBWUYVHWSPRV-OAHLLOKOSA-N 2 2 289.810 3.057 20 0 CGADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000360006027 381406527 /nfs/dbraw/zinc/40/65/27/381406527.db2.gz KMSBWUYVHWSPRV-OAHLLOKOSA-N 2 2 289.810 3.057 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000360498963 381562120 /nfs/dbraw/zinc/56/21/20/381562120.db2.gz DJLKGHFEJPOJSA-AWEZNQCLSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+]1CCC(C)CC1 ZINC000362932589 382154320 /nfs/dbraw/zinc/15/43/20/382154320.db2.gz XFMSZWGLDKWDNF-HNNXBMFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000235223600 542311669 /nfs/dbraw/zinc/31/16/69/542311669.db2.gz CUMRFLFSAKNBEN-ZJUUUORDSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000235523827 542312499 /nfs/dbraw/zinc/31/24/99/542312499.db2.gz CXIKCNBJBZAXHP-FZMZJTMJSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000366212664 382304062 /nfs/dbraw/zinc/30/40/62/382304062.db2.gz WCPBEMUHQDPJOO-RDJZCZTQSA-N 2 2 281.403 3.346 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000368524453 382376806 /nfs/dbraw/zinc/37/68/06/382376806.db2.gz AUPAJDSENNUPSU-ZACQAIPSSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000368524453 382376811 /nfs/dbraw/zinc/37/68/11/382376811.db2.gz AUPAJDSENNUPSU-ZACQAIPSSA-N 2 2 294.483 3.046 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423386228 533001733 /nfs/dbraw/zinc/00/17/33/533001733.db2.gz JDRPQZFUMXBPKV-ABAIWWIYSA-N 2 2 266.816 3.379 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000423353987 533005579 /nfs/dbraw/zinc/00/55/79/533005579.db2.gz CJFMERNKCTXBBT-MJVIPROJSA-N 2 2 282.428 3.196 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749909 220299935 /nfs/dbraw/zinc/29/99/35/220299935.db2.gz NCIIUXQYXXSIMM-UKRRQHHQSA-N 2 2 264.388 3.130 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749909 220299940 /nfs/dbraw/zinc/29/99/40/220299940.db2.gz NCIIUXQYXXSIMM-UKRRQHHQSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749909 220299944 /nfs/dbraw/zinc/29/99/44/220299944.db2.gz NCIIUXQYXXSIMM-UKRRQHHQSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C[C@H]1C ZINC000353749909 220299947 /nfs/dbraw/zinc/29/99/47/220299947.db2.gz NCIIUXQYXXSIMM-UKRRQHHQSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000289365496 197314334 /nfs/dbraw/zinc/31/43/34/197314334.db2.gz NNCMGCAUBGQSPB-LBPRGKRZSA-N 2 2 288.395 3.075 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000289365496 197314335 /nfs/dbraw/zinc/31/43/35/197314335.db2.gz NNCMGCAUBGQSPB-LBPRGKRZSA-N 2 2 288.395 3.075 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCOC1CCCC1 ZINC000289342565 197304250 /nfs/dbraw/zinc/30/42/50/197304250.db2.gz WIIGVJXIESUGFS-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000124376199 285130966 /nfs/dbraw/zinc/13/09/66/285130966.db2.gz NPAPTZDYXFFFML-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000124376199 285130969 /nfs/dbraw/zinc/13/09/69/285130969.db2.gz NPAPTZDYXFFFML-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261983751 285133051 /nfs/dbraw/zinc/13/30/51/285133051.db2.gz RSMVKFANQIHKKY-LLVKDONJSA-N 2 2 272.845 3.366 20 0 CGADLP CC[N@@H+](Cc1sccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000261983751 285133053 /nfs/dbraw/zinc/13/30/53/285133053.db2.gz RSMVKFANQIHKKY-LLVKDONJSA-N 2 2 272.845 3.366 20 0 CGADLP COc1cnccc1[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354936644 533149578 /nfs/dbraw/zinc/14/95/78/533149578.db2.gz YMYBVSZUPLQSJV-AWEZNQCLSA-N 2 2 285.391 3.077 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184340 291906859 /nfs/dbraw/zinc/90/68/59/291906859.db2.gz IJKNWRWXJCDAKD-DZGCQCFKSA-N 2 2 294.826 3.204 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000348070523 542514168 /nfs/dbraw/zinc/51/41/68/542514168.db2.gz IENLPYIETKZPME-QZTJIDSGSA-N 2 2 281.403 3.210 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000348078883 542514089 /nfs/dbraw/zinc/51/40/89/542514089.db2.gz FOHANGCBXVUIAF-QZTJIDSGSA-N 2 2 281.403 3.210 20 0 CGADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000368259662 285389921 /nfs/dbraw/zinc/38/99/21/285389921.db2.gz LICRLAGLQMYKLE-QGZVFWFLSA-N 2 2 297.402 3.092 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423314758 533412608 /nfs/dbraw/zinc/41/26/08/533412608.db2.gz HRCSKDHVTNQNDU-CXAGYDPISA-N 2 2 297.402 3.262 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423269219 533416783 /nfs/dbraw/zinc/41/67/83/533416783.db2.gz VQEFXMDMARHHDY-KBPBESRZSA-N 2 2 264.413 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000423434444 533424293 /nfs/dbraw/zinc/42/42/93/533424293.db2.gz RYZARWUUPSNWIG-ACJLOTCBSA-N 2 2 284.378 3.363 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427837933 533525445 /nfs/dbraw/zinc/52/54/45/533525445.db2.gz AQGSISPEXXGUBJ-DZGCQCFKSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102207 533669613 /nfs/dbraw/zinc/66/96/13/533669613.db2.gz NCEQFIAHSIRYLK-WFASDCNBSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102207 533669619 /nfs/dbraw/zinc/66/96/19/533669619.db2.gz NCEQFIAHSIRYLK-WFASDCNBSA-N 2 2 287.382 3.017 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000381186355 542596855 /nfs/dbraw/zinc/59/68/55/542596855.db2.gz HUEBPWRWPSYJQJ-WBVHZDCISA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000381186355 542596857 /nfs/dbraw/zinc/59/68/57/542596857.db2.gz HUEBPWRWPSYJQJ-WBVHZDCISA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389314621 542608892 /nfs/dbraw/zinc/60/88/92/542608892.db2.gz GKYFWWMCRHGDNK-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389314621 542608895 /nfs/dbraw/zinc/60/88/95/542608895.db2.gz GKYFWWMCRHGDNK-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390568645 542610569 /nfs/dbraw/zinc/61/05/69/542610569.db2.gz RMLMCFKJZDNEBN-GOSISDBHSA-N 2 2 296.414 3.146 20 0 CGADLP Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390568645 542610572 /nfs/dbraw/zinc/61/05/72/542610572.db2.gz RMLMCFKJZDNEBN-GOSISDBHSA-N 2 2 296.414 3.146 20 0 CGADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000390660961 542611420 /nfs/dbraw/zinc/61/14/20/542611420.db2.gz NCCARMQFWFOIAL-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000390660961 542611422 /nfs/dbraw/zinc/61/14/22/542611422.db2.gz NCCARMQFWFOIAL-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1csc(Cl)c1 ZINC000191212171 130202744 /nfs/dbraw/zinc/20/27/44/130202744.db2.gz MWLSNYMHPOQXEN-MWLCHTKSSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1csc(Cl)c1 ZINC000191212171 130202747 /nfs/dbraw/zinc/20/27/47/130202747.db2.gz MWLSNYMHPOQXEN-MWLCHTKSSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079384 392088182 /nfs/dbraw/zinc/08/81/82/392088182.db2.gz KNNPJKQJLBFHHG-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079384 392088189 /nfs/dbraw/zinc/08/81/89/392088189.db2.gz KNNPJKQJLBFHHG-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000070924161 392186144 /nfs/dbraw/zinc/18/61/44/392186144.db2.gz BLHUIUXQDPKECV-CQSZACIVSA-N 2 2 255.365 3.104 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000070924161 392186148 /nfs/dbraw/zinc/18/61/48/392186148.db2.gz BLHUIUXQDPKECV-CQSZACIVSA-N 2 2 255.365 3.104 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000361758295 392315357 /nfs/dbraw/zinc/31/53/57/392315357.db2.gz AFLVFRZMKMDYBT-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000361758295 392315361 /nfs/dbraw/zinc/31/53/61/392315361.db2.gz AFLVFRZMKMDYBT-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCOC1 ZINC000361795445 392323176 /nfs/dbraw/zinc/32/31/76/392323176.db2.gz CZQFQJKFSGMAFZ-KYJSFNMBSA-N 2 2 299.418 3.338 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447598250 542670672 /nfs/dbraw/zinc/67/06/72/542670672.db2.gz GZAKJSLNMHNNRC-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447598250 542670677 /nfs/dbraw/zinc/67/06/77/542670677.db2.gz GZAKJSLNMHNNRC-WMZOPIPTSA-N 2 2 288.410 3.420 20 0 CGADLP Clc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109796297 392374436 /nfs/dbraw/zinc/37/44/36/392374436.db2.gz KRYQWGHCSUREJA-UHFFFAOYSA-N 2 2 275.783 3.374 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C)cc1 ZINC000361965825 392376915 /nfs/dbraw/zinc/37/69/15/392376915.db2.gz ISZBRQZCAAWTBN-IAGOWNOFSA-N 2 2 292.492 3.473 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000361970569 392379550 /nfs/dbraw/zinc/37/95/50/392379550.db2.gz HYFWJMDHVBFOMG-HOCLYGCPSA-N 2 2 278.465 3.083 20 0 CGADLP Cc1[nH+]ccn1CCCSc1[nH+]cc2ccccn21 ZINC000264104903 131395368 /nfs/dbraw/zinc/39/53/68/131395368.db2.gz CVYGGTJSWNNLNR-UHFFFAOYSA-N 2 2 272.377 3.022 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000289326893 392420625 /nfs/dbraw/zinc/42/06/25/392420625.db2.gz UISQOLPEXVWEFS-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000289326893 392420629 /nfs/dbraw/zinc/42/06/29/392420629.db2.gz UISQOLPEXVWEFS-DOTOQJQBSA-N 3 2 289.467 3.033 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290330244 392445091 /nfs/dbraw/zinc/44/50/91/392445091.db2.gz DPLVNQXNQLQCRI-MRXNPFEDSA-N 2 2 271.408 3.084 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290330244 392445107 /nfs/dbraw/zinc/44/51/07/392445107.db2.gz DPLVNQXNQLQCRI-MRXNPFEDSA-N 2 2 271.408 3.084 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000366369966 392452681 /nfs/dbraw/zinc/45/26/81/392452681.db2.gz BMDVRCFVIMTLAM-PMPSAXMXSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366369966 392452687 /nfs/dbraw/zinc/45/26/87/392452687.db2.gz BMDVRCFVIMTLAM-PMPSAXMXSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293131844 392519843 /nfs/dbraw/zinc/51/98/43/392519843.db2.gz ZWMBTJSORKHWDF-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293131844 392519850 /nfs/dbraw/zinc/51/98/50/392519850.db2.gz ZWMBTJSORKHWDF-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293131844 392519855 /nfs/dbraw/zinc/51/98/55/392519855.db2.gz ZWMBTJSORKHWDF-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293131844 392519858 /nfs/dbraw/zinc/51/98/58/392519858.db2.gz ZWMBTJSORKHWDF-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000149369862 392480468 /nfs/dbraw/zinc/48/04/68/392480468.db2.gz PXHPAQDFQARQMI-RHSMWYFYSA-N 2 2 258.409 3.310 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000151912525 392489689 /nfs/dbraw/zinc/48/96/89/392489689.db2.gz FVZIPFCGYWQOAC-NSHDSACASA-N 2 2 290.329 3.188 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163131388 392600873 /nfs/dbraw/zinc/60/08/73/392600873.db2.gz JZJLRDKLZZZLGO-KGLIPLIRSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163131388 392600875 /nfs/dbraw/zinc/60/08/75/392600875.db2.gz JZJLRDKLZZZLGO-KGLIPLIRSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000163131388 392600878 /nfs/dbraw/zinc/60/08/78/392600878.db2.gz JZJLRDKLZZZLGO-KGLIPLIRSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)s1 ZINC000163131388 392600881 /nfs/dbraw/zinc/60/08/81/392600881.db2.gz JZJLRDKLZZZLGO-KGLIPLIRSA-N 2 2 295.496 3.491 20 0 CGADLP Cc1cc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc[nH+]1 ZINC000302215045 392612299 /nfs/dbraw/zinc/61/22/99/392612299.db2.gz GZMYFZLZAVGJPP-KRWDZBQOSA-N 2 2 298.434 3.354 20 0 CGADLP Cc1cc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc[nH+]1 ZINC000302215045 392612304 /nfs/dbraw/zinc/61/23/04/392612304.db2.gz GZMYFZLZAVGJPP-KRWDZBQOSA-N 2 2 298.434 3.354 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000328568026 392674091 /nfs/dbraw/zinc/67/40/91/392674091.db2.gz OQSDXKKNHLZQHV-OCCSQVGLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000328568026 392674100 /nfs/dbraw/zinc/67/41/00/392674100.db2.gz OQSDXKKNHLZQHV-OCCSQVGLSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372577776 392619983 /nfs/dbraw/zinc/61/99/83/392619983.db2.gz ZKHRHPYQVBXPID-XIRDDKMYSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372577776 392619986 /nfs/dbraw/zinc/61/99/86/392619986.db2.gz ZKHRHPYQVBXPID-XIRDDKMYSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372577776 392619992 /nfs/dbraw/zinc/61/99/92/392619992.db2.gz ZKHRHPYQVBXPID-XIRDDKMYSA-N 2 2 275.440 3.052 20 0 CGADLP CC[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372577776 392619996 /nfs/dbraw/zinc/61/99/96/392619996.db2.gz ZKHRHPYQVBXPID-XIRDDKMYSA-N 2 2 275.440 3.052 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000372676922 392626372 /nfs/dbraw/zinc/62/63/72/392626372.db2.gz WACHAFRZEZUOCB-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP CC[NH+](CC)CCSCc1cn2cc(C)ccc2[nH+]1 ZINC000174027088 392633288 /nfs/dbraw/zinc/63/32/88/392633288.db2.gz GVGHMRXMTLTIAP-UHFFFAOYSA-N 2 2 277.437 3.218 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000647513181 392744397 /nfs/dbraw/zinc/74/43/97/392744397.db2.gz IJUCRHZYVBJYQY-AWEZNQCLSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000647513181 392744399 /nfs/dbraw/zinc/74/43/99/392744399.db2.gz IJUCRHZYVBJYQY-AWEZNQCLSA-N 2 2 287.234 3.425 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000647532848 392753545 /nfs/dbraw/zinc/75/35/45/392753545.db2.gz FQYZKBGSLNVWFR-BEFAXECRSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000647532848 392753552 /nfs/dbraw/zinc/75/35/52/392753552.db2.gz FQYZKBGSLNVWFR-BEFAXECRSA-N 2 2 296.414 3.032 20 0 CGADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534016 392753843 /nfs/dbraw/zinc/75/38/43/392753843.db2.gz DOOAZFUWRNFWGA-JKSUJKDBSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647534016 392753848 /nfs/dbraw/zinc/75/38/48/392753848.db2.gz DOOAZFUWRNFWGA-JKSUJKDBSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(C)c1 ZINC000647554167 392769389 /nfs/dbraw/zinc/76/93/89/392769389.db2.gz SIUBVTABFASPNG-INIZCTEOSA-N 2 2 258.409 3.068 20 0 CGADLP CC(C)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccn1 ZINC000375266080 392757170 /nfs/dbraw/zinc/75/71/70/392757170.db2.gz DLNADTDCFJDKOL-QGZVFWFLSA-N 2 2 298.434 3.491 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365049 392707668 /nfs/dbraw/zinc/70/76/68/392707668.db2.gz XRJCDLYKOUFJLE-JSGCOSHPSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364385 392707975 /nfs/dbraw/zinc/70/79/75/392707975.db2.gz ZCGUDTZFNBNTGE-OAHLLOKOSA-N 2 2 294.402 3.239 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccncc1 ZINC000647363822 392708542 /nfs/dbraw/zinc/70/85/42/392708542.db2.gz KVJAWAOACFZVLH-QGZVFWFLSA-N 2 2 294.402 3.321 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)ccc2n1 ZINC000647553937 392767118 /nfs/dbraw/zinc/76/71/18/392767118.db2.gz NNIZVGBWXGZVCF-SFHVURJKSA-N 2 2 295.430 3.308 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)Cc2ccccc2C1 ZINC000510713892 392811481 /nfs/dbraw/zinc/81/14/81/392811481.db2.gz AEXQWNVECAKBQA-MOPGFXCFSA-N 2 2 298.474 3.254 20 0 CGADLP c1cc2c(cc[nH+]c2NCc2ccc(N3CCCC3)[nH+]c2)[nH]1 ZINC000647854183 392815693 /nfs/dbraw/zinc/81/56/93/392815693.db2.gz CYKMQDXUAMSBJW-UHFFFAOYSA-N 2 2 293.374 3.170 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000191186273 392825295 /nfs/dbraw/zinc/82/52/95/392825295.db2.gz FJULQZSLCIYEFD-CQSZACIVSA-N 2 2 252.427 3.275 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@@H+]1C ZINC000194412947 392919453 /nfs/dbraw/zinc/91/94/53/392919453.db2.gz QDLSWEMOKBAMDO-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@H+]1C ZINC000194412947 392919460 /nfs/dbraw/zinc/91/94/60/392919460.db2.gz QDLSWEMOKBAMDO-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412947 392919464 /nfs/dbraw/zinc/91/94/64/392919464.db2.gz QDLSWEMOKBAMDO-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412947 392919467 /nfs/dbraw/zinc/91/94/67/392919467.db2.gz QDLSWEMOKBAMDO-PWSUYJOCSA-N 2 2 272.845 3.316 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000194354511 392916419 /nfs/dbraw/zinc/91/64/19/392916419.db2.gz USCSZKNGAYGXKO-JKSUJKDBSA-N 2 2 298.434 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151035 392868802 /nfs/dbraw/zinc/86/88/02/392868802.db2.gz PSRLTJMYVLIBOH-WMLDXEAASA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cn[nH]c1 ZINC000376151035 392868810 /nfs/dbraw/zinc/86/88/10/392868810.db2.gz PSRLTJMYVLIBOH-WMLDXEAASA-N 2 2 298.434 3.113 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000337287259 392879657 /nfs/dbraw/zinc/87/96/57/392879657.db2.gz KZKUQAYSSDPAGP-YPMHNXCESA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000337287259 392879663 /nfs/dbraw/zinc/87/96/63/392879663.db2.gz KZKUQAYSSDPAGP-YPMHNXCESA-N 2 2 272.383 3.027 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494440053 542720718 /nfs/dbraw/zinc/72/07/18/542720718.db2.gz WMGBNGUGSNSLBQ-GJZGRUSLSA-N 2 2 263.429 3.394 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000339291846 392953346 /nfs/dbraw/zinc/95/33/46/392953346.db2.gz ZFOCQVDUNONRRK-UHFFFAOYSA-N 2 2 296.430 3.433 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000195080089 392956113 /nfs/dbraw/zinc/95/61/13/392956113.db2.gz DMXAXDVLIWKSRW-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)[N@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000195080089 392956117 /nfs/dbraw/zinc/95/61/17/392956117.db2.gz DMXAXDVLIWKSRW-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@H]1c1ccccc1 ZINC000559914403 542757713 /nfs/dbraw/zinc/75/77/13/542757713.db2.gz HOUJLNVMLDHHHT-YVSFHVDLSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)C[C@H]1c1ccccc1 ZINC000559914403 542757718 /nfs/dbraw/zinc/75/77/18/542757718.db2.gz HOUJLNVMLDHHHT-YVSFHVDLSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994355 392989041 /nfs/dbraw/zinc/98/90/41/392989041.db2.gz UAZIAHCOOIQLJT-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000215994355 392989044 /nfs/dbraw/zinc/98/90/44/392989044.db2.gz UAZIAHCOOIQLJT-GXSJLCMTSA-N 2 2 273.207 3.163 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000648450037 393023236 /nfs/dbraw/zinc/02/32/36/393023236.db2.gz MSEISVLUJGROMY-RTBURBONSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000648450037 393023246 /nfs/dbraw/zinc/02/32/46/393023246.db2.gz MSEISVLUJGROMY-RTBURBONSA-N 2 2 284.447 3.008 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000547341859 393108517 /nfs/dbraw/zinc/10/85/17/393108517.db2.gz OVKQQKKZJWGBOP-IYXRBSQSSA-N 2 2 292.389 3.287 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000547341859 393108521 /nfs/dbraw/zinc/10/85/21/393108521.db2.gz OVKQQKKZJWGBOP-IYXRBSQSSA-N 2 2 292.389 3.287 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000467414589 393098649 /nfs/dbraw/zinc/09/86/49/393098649.db2.gz VVFADWGBFWPITD-RVKKMQEKSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000467414589 393098654 /nfs/dbraw/zinc/09/86/54/393098654.db2.gz VVFADWGBFWPITD-RVKKMQEKSA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000414109694 393038724 /nfs/dbraw/zinc/03/87/24/393038724.db2.gz LCQRZMHPSYZUJH-MXYBEHONSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000414109694 393038728 /nfs/dbraw/zinc/03/87/28/393038728.db2.gz LCQRZMHPSYZUJH-MXYBEHONSA-N 2 2 250.430 3.026 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414215109 393043411 /nfs/dbraw/zinc/04/34/11/393043411.db2.gz ZRNUULSULCBIAL-LZLYRXPVSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414215109 393043419 /nfs/dbraw/zinc/04/34/19/393043419.db2.gz ZRNUULSULCBIAL-LZLYRXPVSA-N 2 2 290.451 3.084 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C2(C[NH+](C)C)CCC2)cc1 ZINC000467542193 393105867 /nfs/dbraw/zinc/10/58/67/393105867.db2.gz IJULRDBJTDPBSN-UHFFFAOYSA-N 2 2 274.452 3.426 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000414669850 393050512 /nfs/dbraw/zinc/05/05/12/393050512.db2.gz BZXNBZCVHQUVQJ-ZIAGYGMSSA-N 2 2 252.427 3.258 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000414669850 393050517 /nfs/dbraw/zinc/05/05/17/393050517.db2.gz BZXNBZCVHQUVQJ-ZIAGYGMSSA-N 2 2 252.427 3.258 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000648480321 393053732 /nfs/dbraw/zinc/05/37/32/393053732.db2.gz GZHSNWNZJIMQLQ-JLSDUUJJSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000648480321 393053736 /nfs/dbraw/zinc/05/37/36/393053736.db2.gz GZHSNWNZJIMQLQ-JLSDUUJJSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414950066 393058126 /nfs/dbraw/zinc/05/81/26/393058126.db2.gz HEAZPYKSFPITSS-WMLDXEAASA-N 2 2 288.435 3.238 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000423234939 292007841 /nfs/dbraw/zinc/00/78/41/292007841.db2.gz MRBOGIJLKPHCHW-ZFWWWQNUSA-N 2 2 276.449 3.182 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000246823494 393065769 /nfs/dbraw/zinc/06/57/69/393065769.db2.gz BHHYBGAPRWOXBK-WFASDCNBSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000246823494 393065775 /nfs/dbraw/zinc/06/57/75/393065775.db2.gz BHHYBGAPRWOXBK-WFASDCNBSA-N 2 2 294.826 3.238 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000648500337 393068098 /nfs/dbraw/zinc/06/80/98/393068098.db2.gz XVRBKTYOULIATQ-IAGOWNOFSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414963674 393069008 /nfs/dbraw/zinc/06/90/08/393069008.db2.gz XWTSPSNEJVZEGV-MLGOLLRUSA-N 2 2 288.366 3.316 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])C(C)(C)C)s2)o1 ZINC000415056438 393117993 /nfs/dbraw/zinc/11/79/93/393117993.db2.gz QDVBFDPIABMVSN-CYBMUJFWSA-N 2 2 293.436 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)c[nH+]1 ZINC000415054868 393118208 /nfs/dbraw/zinc/11/82/08/393118208.db2.gz NXZSLAMDDLUDCY-IBGZPJMESA-N 3 2 297.446 3.392 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000415068853 393126309 /nfs/dbraw/zinc/12/63/09/393126309.db2.gz ROIXPIZVJPNZOF-CYBMUJFWSA-N 2 2 281.469 3.048 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2c(F)cncc2F)c[nH+]1 ZINC000348839103 393131889 /nfs/dbraw/zinc/13/18/89/393131889.db2.gz UIUTWAJCQDRYGR-GFCCVEGCSA-N 2 2 291.345 3.347 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000415076414 393131952 /nfs/dbraw/zinc/13/19/52/393131952.db2.gz BCCCKZWDQNZRIA-WFASDCNBSA-N 2 2 298.858 3.394 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415079366 393133790 /nfs/dbraw/zinc/13/37/90/393133790.db2.gz JZEZFIXYDINKEZ-FRRDWIJNSA-N 2 2 280.387 3.016 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547979755 393162163 /nfs/dbraw/zinc/16/21/63/393162163.db2.gz BQPZFOCBAWBICK-NHYWBVRUSA-N 2 2 287.794 3.128 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353243948 393217797 /nfs/dbraw/zinc/21/77/97/393217797.db2.gz NNWQEZVESSIPGV-ZDUSSCGKSA-N 2 2 274.399 3.276 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000470316931 393238831 /nfs/dbraw/zinc/23/88/31/393238831.db2.gz KMBOIGMZCDPTBP-MAUKXSAKSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000470316931 393238837 /nfs/dbraw/zinc/23/88/37/393238837.db2.gz KMBOIGMZCDPTBP-MAUKXSAKSA-N 2 2 274.452 3.425 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)o1 ZINC000268979731 393213546 /nfs/dbraw/zinc/21/35/46/393213546.db2.gz HPMWPWAHRHOOIE-RSAASHCRSA-N 2 2 262.397 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)o1 ZINC000268979731 393213551 /nfs/dbraw/zinc/21/35/51/393213551.db2.gz HPMWPWAHRHOOIE-RSAASHCRSA-N 2 2 262.397 3.030 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CSc2ccc(C)cc2)C1 ZINC000471600629 393286962 /nfs/dbraw/zinc/28/69/62/393286962.db2.gz CQTWWZOHCKYGLZ-ZMSDIMECSA-N 2 2 292.492 3.405 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CSc2ccc(C)cc2)C1 ZINC000471600629 393286969 /nfs/dbraw/zinc/28/69/69/393286969.db2.gz CQTWWZOHCKYGLZ-ZMSDIMECSA-N 2 2 292.492 3.405 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000472063125 393329808 /nfs/dbraw/zinc/32/98/08/393329808.db2.gz MLJLYXQFBPJSRP-DJJJIMSYSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000472063125 393329811 /nfs/dbraw/zinc/32/98/11/393329811.db2.gz MLJLYXQFBPJSRP-DJJJIMSYSA-N 2 2 297.446 3.357 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474066439 393338856 /nfs/dbraw/zinc/33/88/56/393338856.db2.gz MVTDMFYAGZFJFF-AWEZNQCLSA-N 2 2 286.410 3.442 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474066439 393338866 /nfs/dbraw/zinc/33/88/66/393338866.db2.gz MVTDMFYAGZFJFF-AWEZNQCLSA-N 2 2 286.410 3.442 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000474946379 393361869 /nfs/dbraw/zinc/36/18/69/393361869.db2.gz ZLMOEKXTHDFXRW-FZKCQIBNSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000474946379 393361872 /nfs/dbraw/zinc/36/18/72/393361872.db2.gz ZLMOEKXTHDFXRW-FZKCQIBNSA-N 2 2 252.446 3.274 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)c2)c[nH+]1 ZINC000647257312 393417370 /nfs/dbraw/zinc/41/73/70/393417370.db2.gz ZBJANZIBRXMJIG-RWMBFGLXSA-N 2 2 273.405 3.212 20 0 CGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649432792 393426030 /nfs/dbraw/zinc/42/60/30/393426030.db2.gz TYHSNMPFWMAKRB-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649432792 393426034 /nfs/dbraw/zinc/42/60/34/393426034.db2.gz TYHSNMPFWMAKRB-CYBMUJFWSA-N 2 2 255.365 3.071 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CCCCC1 ZINC000480090899 393434359 /nfs/dbraw/zinc/43/43/59/393434359.db2.gz VJIRVLWLSQRRRZ-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CCCCC1 ZINC000480090899 393434360 /nfs/dbraw/zinc/43/43/60/393434360.db2.gz VJIRVLWLSQRRRZ-HZPDHXFCSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000479850265 393434398 /nfs/dbraw/zinc/43/43/98/393434398.db2.gz GXSYICVLUGTQON-UXLLHSPISA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)c1cc(N2CCC[C@@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000420237577 393441693 /nfs/dbraw/zinc/44/16/93/393441693.db2.gz GACFKHRGVXMEHP-AWEZNQCLSA-N 2 2 290.455 3.289 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[NH2+]2)c2cccc(F)c2[nH+]1 ZINC000420243316 393442961 /nfs/dbraw/zinc/44/29/61/393442961.db2.gz WTLFEULCAIUJMH-GFCCVEGCSA-N 2 2 273.355 3.236 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@@H+]1C ZINC000356445535 393446230 /nfs/dbraw/zinc/44/62/30/393446230.db2.gz ZTUDUFHCFNRFHZ-ABAIWWIYSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(F)cc2Cl)CCC[N@H+]1C ZINC000356445535 393446235 /nfs/dbraw/zinc/44/62/35/393446235.db2.gz ZTUDUFHCFNRFHZ-ABAIWWIYSA-N 2 2 284.806 3.094 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420271494 393447110 /nfs/dbraw/zinc/44/71/10/393447110.db2.gz KOINIQURFTVRHZ-OCCSQVGLSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420271494 393447113 /nfs/dbraw/zinc/44/71/13/393447113.db2.gz KOINIQURFTVRHZ-OCCSQVGLSA-N 2 2 264.438 3.110 20 0 CGADLP c1ccc([N@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420300782 393455674 /nfs/dbraw/zinc/45/56/74/393455674.db2.gz KMIQCBIIZLPNDI-OAHLLOKOSA-N 2 2 258.409 3.435 20 0 CGADLP c1ccc([N@@H+](CC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000420300782 393455679 /nfs/dbraw/zinc/45/56/79/393455679.db2.gz KMIQCBIIZLPNDI-OAHLLOKOSA-N 2 2 258.409 3.435 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000420358689 393472425 /nfs/dbraw/zinc/47/24/25/393472425.db2.gz IXZZPXZTMQPPEV-QGZVFWFLSA-N 2 2 299.418 3.337 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350320 393473596 /nfs/dbraw/zinc/47/35/96/393473596.db2.gz GNDRSMOUBXRPLP-BPNCWPANSA-N 2 2 252.789 3.213 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350320 393473603 /nfs/dbraw/zinc/47/36/03/393473603.db2.gz GNDRSMOUBXRPLP-BPNCWPANSA-N 2 2 252.789 3.213 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429551149 393476779 /nfs/dbraw/zinc/47/67/79/393476779.db2.gz DFJZWORNTVMLCS-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429551149 393476785 /nfs/dbraw/zinc/47/67/85/393476785.db2.gz DFJZWORNTVMLCS-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)o2)cc1 ZINC000420411591 393484337 /nfs/dbraw/zinc/48/43/37/393484337.db2.gz RXEZKUGLRNARCS-GDBMZVCRSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)o2)cc1 ZINC000420411591 393484341 /nfs/dbraw/zinc/48/43/41/393484341.db2.gz RXEZKUGLRNARCS-GDBMZVCRSA-N 2 2 299.418 3.067 20 0 CGADLP FC1(F)CC[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000649401551 393411800 /nfs/dbraw/zinc/41/18/00/393411800.db2.gz AGGYLMAWDHDTKK-CYBMUJFWSA-N 2 2 295.377 3.393 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000649559305 393486872 /nfs/dbraw/zinc/48/68/72/393486872.db2.gz YFIIGYXAOLVWRF-CQSZACIVSA-N 2 2 298.352 3.378 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000649559305 393486874 /nfs/dbraw/zinc/48/68/74/393486874.db2.gz YFIIGYXAOLVWRF-CQSZACIVSA-N 2 2 298.352 3.378 20 0 CGADLP COc1ccc([C@H](C[NH2+]C[C@@H]2C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000488365959 393497705 /nfs/dbraw/zinc/49/77/05/393497705.db2.gz KFAARQLGFLCNSO-ZVZYQTTQSA-N 2 2 288.435 3.078 20 0 CGADLP COc1cccc([C@H](C[NH2+]C[C@H]2C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000488435639 393511863 /nfs/dbraw/zinc/51/18/63/393511863.db2.gz AQXWSCYMYSTFSM-LESCRADOSA-N 2 2 288.435 3.078 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)C)C1)[NH+](C)C ZINC000488443180 393514318 /nfs/dbraw/zinc/51/43/18/393514318.db2.gz BETPCYYTLJUJCE-RRFJBIMHSA-N 2 2 272.502 3.082 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)C)C1)[NH+](C)C ZINC000488443181 393514862 /nfs/dbraw/zinc/51/48/62/393514862.db2.gz BETPCYYTLJUJCE-ZNMIVQPWSA-N 2 2 272.502 3.082 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2C[C@@H]2C)c(C)c1 ZINC000488447551 393517153 /nfs/dbraw/zinc/51/71/53/393517153.db2.gz JSMGEOSBIKCURN-ZVZYQTTQSA-N 2 2 283.419 3.487 20 0 CGADLP CC[C@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](CC)O1 ZINC000420954499 393555912 /nfs/dbraw/zinc/55/59/12/393555912.db2.gz KAMIRUYNVIDYAT-ROUUACIJSA-N 2 2 299.418 3.262 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)co2)cc1 ZINC000430555697 393574223 /nfs/dbraw/zinc/57/42/23/393574223.db2.gz PHXJAFXORROFON-QGZVFWFLSA-N 2 2 287.407 3.113 20 0 CGADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141710 393683032 /nfs/dbraw/zinc/68/30/32/393683032.db2.gz OHENPLXTQQHUPY-YPMHNXCESA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141710 393683036 /nfs/dbraw/zinc/68/30/36/393683036.db2.gz OHENPLXTQQHUPY-YPMHNXCESA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000422947344 393647906 /nfs/dbraw/zinc/64/79/06/393647906.db2.gz QHZGGELSDRUHAG-VQISRLSMSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC[NH3+])CCC3)cc1 ZINC000423174100 393652921 /nfs/dbraw/zinc/65/29/21/393652921.db2.gz BHBPOQHKKZLTIJ-ZDUSSCGKSA-N 2 2 287.432 3.044 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423191154 393653032 /nfs/dbraw/zinc/65/30/32/393653032.db2.gz OMGHGLIQXZBSIG-GXFFZTMASA-N 2 2 282.840 3.219 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCCF)C[N@H+](Cc2ccccc2)C1 ZINC000361058546 393660708 /nfs/dbraw/zinc/66/07/08/393660708.db2.gz FUCKAIHIYDPXNF-DOTOQJQBSA-N 2 2 278.415 3.236 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCCF)C[N@@H+](Cc2ccccc2)C1 ZINC000361058546 393660711 /nfs/dbraw/zinc/66/07/11/393660711.db2.gz FUCKAIHIYDPXNF-DOTOQJQBSA-N 2 2 278.415 3.236 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423373854 393663964 /nfs/dbraw/zinc/66/39/64/393663964.db2.gz SJFZDGYORKSDIB-XPUUQOCRSA-N 2 2 279.236 3.369 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CC(C)C1)[NH+](C)C ZINC000443222172 393749931 /nfs/dbraw/zinc/74/99/31/393749931.db2.gz ZIYMQNFFKBHIPX-ARMAHUPYSA-N 2 2 260.425 3.374 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)C ZINC000438075878 393720728 /nfs/dbraw/zinc/72/07/28/393720728.db2.gz IUFNAQGPMHRUOK-MRXNPFEDSA-N 2 2 262.441 3.185 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000449444732 393881733 /nfs/dbraw/zinc/88/17/33/393881733.db2.gz CWNIBSZXLRFIKF-VBQJREDUSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000449444732 393881738 /nfs/dbraw/zinc/88/17/38/393881738.db2.gz CWNIBSZXLRFIKF-VBQJREDUSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)[NH+](C)C ZINC000449555490 393900953 /nfs/dbraw/zinc/90/09/53/393900953.db2.gz HDVYFIJRBSPOHT-XIRDDKMYSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446843957 393863390 /nfs/dbraw/zinc/86/33/90/393863390.db2.gz DANSUGOVANFOMU-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446843957 393863394 /nfs/dbraw/zinc/86/33/94/393863394.db2.gz DANSUGOVANFOMU-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667482068 542874346 /nfs/dbraw/zinc/87/43/46/542874346.db2.gz QSLICNDYJMQXMF-ZDUSSCGKSA-N 2 2 273.405 3.228 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667482068 542874349 /nfs/dbraw/zinc/87/43/49/542874349.db2.gz QSLICNDYJMQXMF-ZDUSSCGKSA-N 2 2 273.405 3.228 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453103066 394172084 /nfs/dbraw/zinc/17/20/84/394172084.db2.gz WIHHKIKIHITNGG-GOSISDBHSA-N 2 2 283.419 3.254 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453103066 394172088 /nfs/dbraw/zinc/17/20/88/394172088.db2.gz WIHHKIKIHITNGG-GOSISDBHSA-N 2 2 283.419 3.254 20 0 CGADLP COCc1ccccc1/C=C(\C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000453630013 394263977 /nfs/dbraw/zinc/26/39/77/394263977.db2.gz ZWTUHBJGDKILMC-RVDMUPIBSA-N 2 2 290.451 3.166 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(OC)cc1 ZINC000667513855 542883459 /nfs/dbraw/zinc/88/34/59/542883459.db2.gz ORASHSJSGGAGMF-UHFFFAOYSA-N 2 2 287.407 3.149 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(OC)cc1 ZINC000667513855 542883462 /nfs/dbraw/zinc/88/34/62/542883462.db2.gz ORASHSJSGGAGMF-UHFFFAOYSA-N 2 2 287.407 3.149 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)n1C ZINC000667503865 542881398 /nfs/dbraw/zinc/88/13/98/542881398.db2.gz ZVZAFUHZDHUINY-MRXNPFEDSA-N 2 2 273.355 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)n1C ZINC000667503865 542881401 /nfs/dbraw/zinc/88/14/01/542881401.db2.gz ZVZAFUHZDHUINY-MRXNPFEDSA-N 2 2 273.355 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000667569350 542891163 /nfs/dbraw/zinc/89/11/63/542891163.db2.gz IJQNIQLUBAFVMS-QGZVFWFLSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000667569350 542891166 /nfs/dbraw/zinc/89/11/66/542891166.db2.gz IJQNIQLUBAFVMS-QGZVFWFLSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)[nH]c2c1 ZINC000667570778 542892383 /nfs/dbraw/zinc/89/23/83/542892383.db2.gz HPVFVQDZFNHCEB-UHFFFAOYSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667571156 542892469 /nfs/dbraw/zinc/89/24/69/542892469.db2.gz OANOJJXUOQSHFV-OAHLLOKOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667571156 542892472 /nfs/dbraw/zinc/89/24/72/542892472.db2.gz OANOJJXUOQSHFV-OAHLLOKOSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000667670110 542912931 /nfs/dbraw/zinc/91/29/31/542912931.db2.gz DMMCEZJWBHVQCC-KSSFIOAISA-N 2 2 283.419 3.354 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000667670110 542912934 /nfs/dbraw/zinc/91/29/34/542912934.db2.gz DMMCEZJWBHVQCC-KSSFIOAISA-N 2 2 283.419 3.354 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H](c2ccco2)C1 ZINC000667683050 542916069 /nfs/dbraw/zinc/91/60/69/542916069.db2.gz CZXCUGLKXMUHPW-UKRRQHHQSA-N 2 2 285.391 3.396 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H](c2ccco2)C1 ZINC000667683050 542916070 /nfs/dbraw/zinc/91/60/70/542916070.db2.gz CZXCUGLKXMUHPW-UKRRQHHQSA-N 2 2 285.391 3.396 20 0 CGADLP Cc1cccc(C2=CC[N@H+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667958674 542950902 /nfs/dbraw/zinc/95/09/02/542950902.db2.gz QJPQUBDZVWVBHF-UHFFFAOYSA-N 2 2 293.414 3.427 20 0 CGADLP Cc1cccc(C2=CC[N@@H+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667958674 542950904 /nfs/dbraw/zinc/95/09/04/542950904.db2.gz QJPQUBDZVWVBHF-UHFFFAOYSA-N 2 2 293.414 3.427 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972096 542951370 /nfs/dbraw/zinc/95/13/70/542951370.db2.gz FSDLZXCZXTZYLB-INIZCTEOSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972096 542951374 /nfs/dbraw/zinc/95/13/74/542951374.db2.gz FSDLZXCZXTZYLB-INIZCTEOSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)n1C ZINC000667972158 542951847 /nfs/dbraw/zinc/95/18/47/542951847.db2.gz HMILCPHTRPJFPR-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)n1C ZINC000667972158 542951852 /nfs/dbraw/zinc/95/18/52/542951852.db2.gz HMILCPHTRPJFPR-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1C ZINC000668079651 542966631 /nfs/dbraw/zinc/96/66/31/542966631.db2.gz NDHMTIQHBMLZJV-WMLDXEAASA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)n1C ZINC000668079651 542966633 /nfs/dbraw/zinc/96/66/33/542966633.db2.gz NDHMTIQHBMLZJV-WMLDXEAASA-N 2 2 283.419 3.415 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(F)(c3ccccc3)CC2)n1C ZINC000668081902 542966721 /nfs/dbraw/zinc/96/67/21/542966721.db2.gz CNSLVXLLMKXUOR-UHFFFAOYSA-N 2 2 287.382 3.189 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)c(C)c1 ZINC000668163095 542978382 /nfs/dbraw/zinc/97/83/82/542978382.db2.gz RVNHOGDQDMREKU-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CCCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)c(C)c1 ZINC000668163095 542978384 /nfs/dbraw/zinc/97/83/84/542978384.db2.gz RVNHOGDQDMREKU-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000668154008 542976463 /nfs/dbraw/zinc/97/64/63/542976463.db2.gz BQMBAGBQPGRSHV-BHYGNILZSA-N 2 2 260.425 3.171 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174078 542980913 /nfs/dbraw/zinc/98/09/13/542980913.db2.gz CNOLQODSYWFFSL-KGLIPLIRSA-N 2 2 275.440 3.476 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668174078 542980917 /nfs/dbraw/zinc/98/09/17/542980917.db2.gz CNOLQODSYWFFSL-KGLIPLIRSA-N 2 2 275.440 3.476 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000668235541 542995547 /nfs/dbraw/zinc/99/55/47/542995547.db2.gz NKPUIIGNTPVJIY-ROUUACIJSA-N 2 2 283.419 3.497 20 0 CGADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)CCc2ccccc21 ZINC000668476306 543018342 /nfs/dbraw/zinc/01/83/42/543018342.db2.gz CEBHEINLZHMFDS-UHFFFAOYSA-N 2 2 295.430 3.165 20 0 CGADLP CC1(C)CC[N@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000668556198 543026454 /nfs/dbraw/zinc/02/64/54/543026454.db2.gz ONXIZGJOHAWDMP-UHFFFAOYSA-N 2 2 275.440 3.478 20 0 CGADLP CC1(C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000668556198 543026455 /nfs/dbraw/zinc/02/64/55/543026455.db2.gz ONXIZGJOHAWDMP-UHFFFAOYSA-N 2 2 275.440 3.478 20 0 CGADLP COCc1csc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000668581354 543030556 /nfs/dbraw/zinc/03/05/56/543030556.db2.gz CBNCXDZSKBXUQH-UHFFFAOYSA-N 2 2 290.432 3.320 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)c[nH+]1 ZINC000668753546 543055925 /nfs/dbraw/zinc/05/59/25/543055925.db2.gz JSAFHWOXFAAAFJ-VQIMIIECSA-N 2 2 298.430 3.077 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000668753544 543056190 /nfs/dbraw/zinc/05/61/90/543056190.db2.gz JSAFHWOXFAAAFJ-LPHOPBHVSA-N 2 2 298.430 3.077 20 0 CGADLP COc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1C ZINC000668763934 543056901 /nfs/dbraw/zinc/05/69/01/543056901.db2.gz HQPMTIWDPURNSP-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000387735716 397690214 /nfs/dbraw/zinc/69/02/14/397690214.db2.gz OXEOISGTVIEZRS-PBHICJAKSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000387735716 397690217 /nfs/dbraw/zinc/69/02/17/397690217.db2.gz OXEOISGTVIEZRS-PBHICJAKSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674753776 543295722 /nfs/dbraw/zinc/29/57/22/543295722.db2.gz NLFNFRDXWRSPNZ-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674753776 543295724 /nfs/dbraw/zinc/29/57/24/543295724.db2.gz NLFNFRDXWRSPNZ-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766927 543362562 /nfs/dbraw/zinc/36/25/62/543362562.db2.gz QUUDHPDUPIMHCA-HOCLYGCPSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766927 543362563 /nfs/dbraw/zinc/36/25/63/543362563.db2.gz QUUDHPDUPIMHCA-HOCLYGCPSA-N 2 2 286.419 3.117 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768396 543363146 /nfs/dbraw/zinc/36/31/46/543363146.db2.gz XGYXARSFUQWKCT-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000675768396 543363149 /nfs/dbraw/zinc/36/31/49/543363149.db2.gz XGYXARSFUQWKCT-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675735832 543359306 /nfs/dbraw/zinc/35/93/06/543359306.db2.gz YMSQFVWSUMVJFF-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675735832 543359308 /nfs/dbraw/zinc/35/93/08/543359308.db2.gz YMSQFVWSUMVJFF-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675833370 543368223 /nfs/dbraw/zinc/36/82/23/543368223.db2.gz MSYSCUKLTOHDEG-CRAIPNDOSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675833370 543368226 /nfs/dbraw/zinc/36/82/26/543368226.db2.gz MSYSCUKLTOHDEG-CRAIPNDOSA-N 2 2 272.436 3.438 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccs1 ZINC000675924128 543374182 /nfs/dbraw/zinc/37/41/82/543374182.db2.gz CTPMMALDNPTHRK-QWHCGFSZSA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccs1 ZINC000675924128 543374184 /nfs/dbraw/zinc/37/41/84/543374184.db2.gz CTPMMALDNPTHRK-QWHCGFSZSA-N 2 2 252.427 3.131 20 0 CGADLP Clc1cscc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000676416177 543397286 /nfs/dbraw/zinc/39/72/86/543397286.db2.gz YOWIUTJKIQSVLP-NEPJUHHUSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1cscc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000676416177 543397287 /nfs/dbraw/zinc/39/72/87/543397287.db2.gz YOWIUTJKIQSVLP-NEPJUHHUSA-N 2 2 270.829 3.118 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490259 543399708 /nfs/dbraw/zinc/39/97/08/543399708.db2.gz PFJWZXKDBMJEMZ-CRAIPNDOSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000676490259 543399710 /nfs/dbraw/zinc/39/97/10/543399710.db2.gz PFJWZXKDBMJEMZ-CRAIPNDOSA-N 2 2 299.462 3.214 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000677130309 543434832 /nfs/dbraw/zinc/43/48/32/543434832.db2.gz UJLUZIDHGPRMPN-INIZCTEOSA-N 2 2 291.345 3.219 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000677129989 543435076 /nfs/dbraw/zinc/43/50/76/543435076.db2.gz QXJADBOFUOWKNP-IXDOHACOSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000677129989 543435077 /nfs/dbraw/zinc/43/50/77/543435077.db2.gz QXJADBOFUOWKNP-IXDOHACOSA-N 2 2 292.373 3.169 20 0 CGADLP COCC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805487 543466734 /nfs/dbraw/zinc/46/67/34/543466734.db2.gz MUNQJNSXHVRXGW-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP COCC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805487 543466736 /nfs/dbraw/zinc/46/67/36/543466736.db2.gz MUNQJNSXHVRXGW-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000678073531 543480879 /nfs/dbraw/zinc/48/08/79/543480879.db2.gz XKBWANYSRWFHJX-AWEZNQCLSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000678073531 543480882 /nfs/dbraw/zinc/48/08/82/543480882.db2.gz XKBWANYSRWFHJX-AWEZNQCLSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000678073531 543480884 /nfs/dbraw/zinc/48/08/84/543480884.db2.gz XKBWANYSRWFHJX-AWEZNQCLSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000678073531 543480886 /nfs/dbraw/zinc/48/08/86/543480886.db2.gz XKBWANYSRWFHJX-AWEZNQCLSA-N 2 2 262.397 3.037 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1C ZINC000678223587 543496168 /nfs/dbraw/zinc/49/61/68/543496168.db2.gz VGEMLSRXDGGHMP-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1C ZINC000678223587 543496170 /nfs/dbraw/zinc/49/61/70/543496170.db2.gz VGEMLSRXDGGHMP-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cnccc3C)n2c1 ZINC000678362217 543518122 /nfs/dbraw/zinc/51/81/22/543518122.db2.gz UJELXYFVEZSMQM-AWEZNQCLSA-N 2 2 280.375 3.197 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C2CC2)ccc1F ZINC000678682688 543549103 /nfs/dbraw/zinc/54/91/03/543549103.db2.gz FXSWSPUOGGJXGQ-NVXWUHKLSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C2CC2)ccc1F ZINC000678682688 543549104 /nfs/dbraw/zinc/54/91/04/543549104.db2.gz FXSWSPUOGGJXGQ-NVXWUHKLSA-N 2 2 276.399 3.269 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000678883253 543568703 /nfs/dbraw/zinc/56/87/03/543568703.db2.gz GKEBSZLYBKGAAE-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000678883253 543568705 /nfs/dbraw/zinc/56/87/05/543568705.db2.gz GKEBSZLYBKGAAE-UHFFFAOYSA-N 2 2 287.407 3.194 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1(CC)CC ZINC000344077356 286282875 /nfs/dbraw/zinc/28/28/75/286282875.db2.gz QMBVADAAMVEPAK-FVQBIDKESA-N 2 2 282.472 3.043 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1(CC)CC ZINC000344077356 286282877 /nfs/dbraw/zinc/28/28/77/286282877.db2.gz QMBVADAAMVEPAK-FVQBIDKESA-N 2 2 282.472 3.043 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C12CCCC2 ZINC000250492260 286291641 /nfs/dbraw/zinc/29/16/41/286291641.db2.gz IPXGUFJPCXCXTR-BRWVUGGUSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)o1 ZINC000353593650 292261064 /nfs/dbraw/zinc/26/10/64/292261064.db2.gz DIAKLUKTSMFSIH-CXAGYDPISA-N 2 2 285.391 3.299 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CCC2)o1 ZINC000353593650 292261065 /nfs/dbraw/zinc/26/10/65/292261065.db2.gz DIAKLUKTSMFSIH-CXAGYDPISA-N 2 2 285.391 3.299 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358212760 292316213 /nfs/dbraw/zinc/31/62/13/292316213.db2.gz ASIQILHMXXNONM-DOPJRALCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358212760 292316214 /nfs/dbraw/zinc/31/62/14/292316214.db2.gz ASIQILHMXXNONM-DOPJRALCSA-N 2 2 270.420 3.055 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@H]1CCC12CCCC2 ZINC000423420315 304857112 /nfs/dbraw/zinc/85/71/12/304857112.db2.gz JHKBLBYZIUBKQD-IRXDYDNUSA-N 2 2 270.420 3.186 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H](C)C2 ZINC000491365602 292351804 /nfs/dbraw/zinc/35/18/04/292351804.db2.gz DXMNHZHVUPEFCO-BBRMVZONSA-N 2 2 260.425 3.158 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081637166 287075810 /nfs/dbraw/zinc/07/58/10/287075810.db2.gz NHTYGCKIDDSYDM-IRXDYDNUSA-N 2 2 264.457 3.277 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000079706261 165149318 /nfs/dbraw/zinc/14/93/18/165149318.db2.gz KWMQEGMKNLDZAI-IAGOWNOFSA-N 2 2 278.440 3.084 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000080258814 165154550 /nfs/dbraw/zinc/15/45/50/165154550.db2.gz VMWVKTNXJSIPSB-ZDUSSCGKSA-N 2 2 267.442 3.057 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000089142170 165199828 /nfs/dbraw/zinc/19/98/28/165199828.db2.gz LGDYMQQHQFXAAM-ZBFHGGJFSA-N 2 2 288.439 3.001 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000090003651 165223872 /nfs/dbraw/zinc/22/38/72/165223872.db2.gz KYUVAQRKIRZAFJ-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000090003651 165223875 /nfs/dbraw/zinc/22/38/75/165223875.db2.gz KYUVAQRKIRZAFJ-INIZCTEOSA-N 2 2 275.440 3.255 20 0 CGADLP C[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)C[NH+]1CCCC1 ZINC000090803408 165244334 /nfs/dbraw/zinc/24/43/34/165244334.db2.gz BSKXHDIVPAODPU-NSHDSACASA-N 2 2 287.329 3.244 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960110 165278950 /nfs/dbraw/zinc/27/89/50/165278950.db2.gz ACQQCYOKOVTECP-JSGCOSHPSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960110 165278955 /nfs/dbraw/zinc/27/89/55/165278955.db2.gz ACQQCYOKOVTECP-JSGCOSHPSA-N 2 2 261.394 3.028 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC(F)(F)F)n1-c1ccccc1 ZINC000092129050 165283693 /nfs/dbraw/zinc/28/36/93/165283693.db2.gz MPOGQQUHRHHCFB-UHFFFAOYSA-N 2 2 283.297 3.223 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000093753089 287119302 /nfs/dbraw/zinc/11/93/02/287119302.db2.gz QYXSOBYZCZNWLU-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000093753089 287119304 /nfs/dbraw/zinc/11/93/04/287119304.db2.gz QYXSOBYZCZNWLU-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093753089 287119306 /nfs/dbraw/zinc/11/93/06/287119306.db2.gz QYXSOBYZCZNWLU-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093753089 287119309 /nfs/dbraw/zinc/11/93/09/287119309.db2.gz QYXSOBYZCZNWLU-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648703 287135454 /nfs/dbraw/zinc/13/54/54/287135454.db2.gz YBGGVVBDBGIYLR-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172648703 287135457 /nfs/dbraw/zinc/13/54/57/287135457.db2.gz YBGGVVBDBGIYLR-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000119444170 287169538 /nfs/dbraw/zinc/16/95/38/287169538.db2.gz TZNAOGITLSNVEQ-CYBMUJFWSA-N 2 2 281.469 3.232 20 0 CGADLP Cn1ccc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000121804238 287203524 /nfs/dbraw/zinc/20/35/24/287203524.db2.gz UJHAKPDQYRYVDC-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP Cn1ccc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000121804238 287203525 /nfs/dbraw/zinc/20/35/25/287203525.db2.gz UJHAKPDQYRYVDC-LJQANCHMSA-N 2 2 297.446 3.169 20 0 CGADLP CC1=CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000284248989 196013218 /nfs/dbraw/zinc/01/32/18/196013218.db2.gz VNEBBJJDLJAXAH-HNNXBMFYSA-N 2 2 259.397 3.362 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000020127052 171012407 /nfs/dbraw/zinc/01/24/07/171012407.db2.gz QWQLQIXPXAFDOW-LBPRGKRZSA-N 2 2 284.350 3.034 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000020129094 171016281 /nfs/dbraw/zinc/01/62/81/171016281.db2.gz SJAKTZPCDGGWIL-LBPRGKRZSA-N 2 2 268.351 3.101 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000020506242 171228322 /nfs/dbraw/zinc/22/83/22/171228322.db2.gz SZMIFESVALXQRF-OAHLLOKOSA-N 2 2 261.344 3.153 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000020506143 171228449 /nfs/dbraw/zinc/22/84/49/171228449.db2.gz SFDQUFNFXMHDOI-ZDUSSCGKSA-N 2 2 269.348 3.370 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+](C)C ZINC000021060335 171296796 /nfs/dbraw/zinc/29/67/96/171296796.db2.gz ITHGRDQDWPWZJM-NVXWUHKLSA-N 2 2 262.441 3.356 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022046000 171350595 /nfs/dbraw/zinc/35/05/95/171350595.db2.gz RZBAZUJMOGSBGO-AWEZNQCLSA-N 2 2 252.789 3.086 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022046000 171350597 /nfs/dbraw/zinc/35/05/97/171350597.db2.gz RZBAZUJMOGSBGO-AWEZNQCLSA-N 2 2 252.789 3.086 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126532464 287266905 /nfs/dbraw/zinc/26/69/05/287266905.db2.gz SYDUCLREMCKYCM-CXAGYDPISA-N 2 2 292.854 3.271 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035732855 172384203 /nfs/dbraw/zinc/38/42/03/172384203.db2.gz ZFIROVXAADHTJG-STQMWFEESA-N 2 2 255.365 3.321 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000037249458 173062152 /nfs/dbraw/zinc/06/21/52/173062152.db2.gz QFBFRGRESZNQKA-MRXNPFEDSA-N 2 2 257.381 3.260 20 0 CGADLP c1ccc(C[C@@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000128218902 287306200 /nfs/dbraw/zinc/30/62/00/287306200.db2.gz FTQYYLMSHGLCCK-GOSISDBHSA-N 2 2 272.436 3.083 20 0 CGADLP CC[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122332592 416504063 /nfs/dbraw/zinc/50/40/63/416504063.db2.gz IQZFNYFGQDPDNN-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122332592 416504068 /nfs/dbraw/zinc/50/40/68/416504068.db2.gz IQZFNYFGQDPDNN-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP COc1ccc2[nH+]c(NCCCCn3cc[nH+]c3)ccc2c1 ZINC000679281042 543612033 /nfs/dbraw/zinc/61/20/33/543612033.db2.gz CFSZHUXIFFBMNH-UHFFFAOYSA-N 2 2 296.374 3.332 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC3 ZINC000679342557 543623489 /nfs/dbraw/zinc/62/34/89/543623489.db2.gz UXCNVHPCZKSWRL-GJZGRUSLSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC3 ZINC000679342557 543623492 /nfs/dbraw/zinc/62/34/92/543623492.db2.gz UXCNVHPCZKSWRL-GJZGRUSLSA-N 2 2 297.446 3.017 20 0 CGADLP C[C@H](CCCCO)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000679328763 543619584 /nfs/dbraw/zinc/61/95/84/543619584.db2.gz SNRKSJXOMSODMH-CABCVRRESA-N 2 2 296.480 3.026 20 0 CGADLP Cc1[nH+]ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1Cl ZINC000679634421 543652440 /nfs/dbraw/zinc/65/24/40/543652440.db2.gz NUVUXRLKKJEUIU-UHFFFAOYSA-N 2 2 298.777 3.263 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000679815755 543661391 /nfs/dbraw/zinc/66/13/91/543661391.db2.gz CXIQBDXNYJCZTM-YLJYHZDGSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@H+]1CCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000679815755 543661395 /nfs/dbraw/zinc/66/13/95/543661395.db2.gz CXIQBDXNYJCZTM-YLJYHZDGSA-N 2 2 298.474 3.352 20 0 CGADLP CCC[NH+]1CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000679904498 543667000 /nfs/dbraw/zinc/66/70/00/543667000.db2.gz DXSCVPULPOZNLJ-UHFFFAOYSA-N 2 2 273.424 3.247 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCc3ccsc3)C2)c[nH+]1 ZINC000679924996 543667752 /nfs/dbraw/zinc/66/77/52/543667752.db2.gz OSZBBXXGOURTCX-OAHLLOKOSA-N 2 2 275.421 3.214 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)c[nH+]1 ZINC000679924996 543667756 /nfs/dbraw/zinc/66/77/56/543667756.db2.gz OSZBBXXGOURTCX-OAHLLOKOSA-N 2 2 275.421 3.214 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000679926248 543668823 /nfs/dbraw/zinc/66/88/23/543668823.db2.gz ADIMTOJSKLJFFG-OAHLLOKOSA-N 2 2 266.454 3.143 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000679926248 543668825 /nfs/dbraw/zinc/66/88/25/543668825.db2.gz ADIMTOJSKLJFFG-OAHLLOKOSA-N 2 2 266.454 3.143 20 0 CGADLP C[NH+](C)CC1(CNc2cc[nH+]c(C(C)(C)C)n2)CCCC1 ZINC000680530575 543717368 /nfs/dbraw/zinc/71/73/68/543717368.db2.gz QOUNRJZQVWHTBY-UHFFFAOYSA-N 2 2 290.455 3.308 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130596599 287359011 /nfs/dbraw/zinc/35/90/11/287359011.db2.gz HSSWBDRJWIOYGC-AUUYWEPGSA-N 2 2 291.398 3.400 20 0 CGADLP CCc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000130491185 287357044 /nfs/dbraw/zinc/35/70/44/287357044.db2.gz VNUOXOGIYUZBII-UHFFFAOYSA-N 2 2 295.386 3.377 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000682131604 543826914 /nfs/dbraw/zinc/82/69/14/543826914.db2.gz AFPQMURMWXWOKF-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000682131604 543826915 /nfs/dbraw/zinc/82/69/15/543826915.db2.gz AFPQMURMWXWOKF-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675297 543801340 /nfs/dbraw/zinc/80/13/40/543801340.db2.gz KNYZSHJDWMBNBS-GDBMZVCRSA-N 2 2 267.376 3.277 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675297 543801341 /nfs/dbraw/zinc/80/13/41/543801341.db2.gz KNYZSHJDWMBNBS-GDBMZVCRSA-N 2 2 267.376 3.277 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000683727535 543936587 /nfs/dbraw/zinc/93/65/87/543936587.db2.gz UTNTVNAYVFVFDV-UHFFFAOYSA-N 2 2 298.386 3.139 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](Cc3ccncc3)C2)c[nH+]1 ZINC000684394167 543992908 /nfs/dbraw/zinc/99/29/08/543992908.db2.gz YSNUQMQTMCZAQY-LJQANCHMSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](Cc3ccncc3)C2)c[nH+]1 ZINC000684394167 543992909 /nfs/dbraw/zinc/99/29/09/543992909.db2.gz YSNUQMQTMCZAQY-LJQANCHMSA-N 2 2 295.430 3.282 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448856 544072145 /nfs/dbraw/zinc/07/21/45/544072145.db2.gz LESVSWDJVOXJEU-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448856 544072147 /nfs/dbraw/zinc/07/21/47/544072147.db2.gz LESVSWDJVOXJEU-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP Clc1ccc(/C=C/C[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000685850314 544103518 /nfs/dbraw/zinc/10/35/18/544103518.db2.gz JUXBMKKVMDSXBB-OWOJBTEDSA-N 2 2 273.767 3.066 20 0 CGADLP Clc1ccc(/C=C/C[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000685850314 544103522 /nfs/dbraw/zinc/10/35/22/544103522.db2.gz JUXBMKKVMDSXBB-OWOJBTEDSA-N 2 2 273.767 3.066 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133973121 287433032 /nfs/dbraw/zinc/43/30/32/287433032.db2.gz JUZPHMZHRTYEEI-WBVHZDCISA-N 2 2 283.419 3.459 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367186229 227214258 /nfs/dbraw/zinc/21/42/58/227214258.db2.gz MKDIKJOORIOHKA-ZBFHGGJFSA-N 2 2 293.430 3.270 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000462747908 287489411 /nfs/dbraw/zinc/48/94/11/287489411.db2.gz YDPOHYWOIDUSEY-FPCVCCKLSA-N 2 2 252.446 3.418 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)c1ccncn1)C1CCCCC1 ZINC000652237876 418940193 /nfs/dbraw/zinc/94/01/93/418940193.db2.gz IKFUQZZPRHJTDN-OAHLLOKOSA-N 2 2 290.455 3.172 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1ccncn1)C1CCCCC1 ZINC000652237876 418940198 /nfs/dbraw/zinc/94/01/98/418940198.db2.gz IKFUQZZPRHJTDN-OAHLLOKOSA-N 2 2 290.455 3.172 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000664365536 418943091 /nfs/dbraw/zinc/94/30/91/418943091.db2.gz ZXOODHJNWDKNBQ-SFHVURJKSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664365536 418943095 /nfs/dbraw/zinc/94/30/95/418943095.db2.gz ZXOODHJNWDKNBQ-SFHVURJKSA-N 2 2 295.430 3.143 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870455 419022491 /nfs/dbraw/zinc/02/24/91/419022491.db2.gz BPHWKMHTMIQZMH-KGLIPLIRSA-N 2 2 274.399 3.228 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870455 419022493 /nfs/dbraw/zinc/02/24/93/419022493.db2.gz BPHWKMHTMIQZMH-KGLIPLIRSA-N 2 2 274.399 3.228 20 0 CGADLP CSc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659883144 419028596 /nfs/dbraw/zinc/02/85/96/419028596.db2.gz QCUSOKAARSSHPV-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CSc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659883144 419028598 /nfs/dbraw/zinc/02/85/98/419028598.db2.gz QCUSOKAARSSHPV-HNNXBMFYSA-N 2 2 287.432 3.442 20 0 CGADLP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)[C@@H]1c1ccncc1 ZINC000664834689 419013184 /nfs/dbraw/zinc/01/31/84/419013184.db2.gz ZJPHZAVECYNDTK-QGZVFWFLSA-N 2 2 287.451 3.341 20 0 CGADLP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1c1ccncc1 ZINC000664834689 419013186 /nfs/dbraw/zinc/01/31/86/419013186.db2.gz ZJPHZAVECYNDTK-QGZVFWFLSA-N 2 2 287.451 3.341 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833972 419013306 /nfs/dbraw/zinc/01/33/06/419013306.db2.gz VVSXNCOYWLBHTH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833972 419013309 /nfs/dbraw/zinc/01/33/09/419013309.db2.gz VVSXNCOYWLBHTH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833972 419013312 /nfs/dbraw/zinc/01/33/12/419013312.db2.gz VVSXNCOYWLBHTH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833972 419013315 /nfs/dbraw/zinc/01/33/15/419013315.db2.gz VVSXNCOYWLBHTH-IRXDYDNUSA-N 2 2 287.451 3.339 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000655754493 419087938 /nfs/dbraw/zinc/08/79/38/419087938.db2.gz XQOMQUIOSCQWGJ-UHFFFAOYSA-N 2 2 273.207 3.179 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000655756547 419088065 /nfs/dbraw/zinc/08/80/65/419088065.db2.gz VBPUPPYRGLZFSE-HZPDHXFCSA-N 2 2 281.403 3.092 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241767 419089269 /nfs/dbraw/zinc/08/92/69/419089269.db2.gz YLMWDFHQVPIHJM-UHOFOFEASA-N 2 2 264.388 3.253 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cs1 ZINC000665248191 419092552 /nfs/dbraw/zinc/09/25/52/419092552.db2.gz RFCHPKVVKUTHSM-NSHDSACASA-N 2 2 267.442 3.189 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276592 419099279 /nfs/dbraw/zinc/09/92/79/419099279.db2.gz HAWVHOIAHDWMNH-BZOOQXSSSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)cc(Cl)c1 ZINC000665277883 419099501 /nfs/dbraw/zinc/09/95/01/419099501.db2.gz OEEWVFSKZLBZKD-NAUIOFCNSA-N 2 2 285.218 3.396 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000665295336 419108466 /nfs/dbraw/zinc/10/84/66/419108466.db2.gz CFCWLWBPIHGDKL-CXAGYDPISA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000665295865 419108628 /nfs/dbraw/zinc/10/86/28/419108628.db2.gz KTBBFOSYTDHPAE-YJBOKZPZSA-N 2 2 268.404 3.168 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000665296559 419109137 /nfs/dbraw/zinc/10/91/37/419109137.db2.gz UPZVTPGUXJDSIG-OUJBWJOFSA-N 2 2 297.240 3.195 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000665295456 419109381 /nfs/dbraw/zinc/10/93/81/419109381.db2.gz DPXCAYLOLIBPQP-STQMWFEESA-N 2 2 258.365 3.205 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000665296312 419109390 /nfs/dbraw/zinc/10/93/90/419109390.db2.gz QHWSHHMECDASFS-WBMJQRKESA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000665295690 419109474 /nfs/dbraw/zinc/10/94/74/419109474.db2.gz HTHDTZJPBXEENO-ZIAGYGMSSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000665296497 419109573 /nfs/dbraw/zinc/10/95/73/419109573.db2.gz TZBGTKJGLUBNKY-IAQYHMDHSA-N 2 2 266.816 3.305 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000665295879 419109699 /nfs/dbraw/zinc/10/96/99/419109699.db2.gz KXLQIMDJEBJUCU-UWVGGRQHSA-N 2 2 266.772 3.345 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000665298121 419111391 /nfs/dbraw/zinc/11/13/91/419111391.db2.gz SCOQTTHHKVNFNQ-DNVCBOLYSA-N 2 2 298.430 3.177 20 0 CGADLP C1CC[N@@H+]2CCC[C@@H]([NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000655847885 419119236 /nfs/dbraw/zinc/11/92/36/419119236.db2.gz DZUPNHOKVJJCCO-CVEARBPZSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC[N@H+]2CCC[C@@H]([NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000655847885 419119240 /nfs/dbraw/zinc/11/92/40/419119240.db2.gz DZUPNHOKVJJCCO-CVEARBPZSA-N 2 2 250.430 3.316 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850783 419120268 /nfs/dbraw/zinc/12/02/68/419120268.db2.gz YUUHUZBJYFTONB-FXUDXRNXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850783 419120271 /nfs/dbraw/zinc/12/02/71/419120271.db2.gz YUUHUZBJYFTONB-FXUDXRNXSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000655850222 419120817 /nfs/dbraw/zinc/12/08/17/419120817.db2.gz FNUXOVZMFMQCTL-ULQDDVLXSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000655850222 419120820 /nfs/dbraw/zinc/12/08/20/419120820.db2.gz FNUXOVZMFMQCTL-ULQDDVLXSA-N 2 2 273.424 3.139 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659989437 419056757 /nfs/dbraw/zinc/05/67/57/419056757.db2.gz LCTAVTFIXLZKLV-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659989437 419056761 /nfs/dbraw/zinc/05/67/61/419056761.db2.gz LCTAVTFIXLZKLV-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659989437 419056763 /nfs/dbraw/zinc/05/67/63/419056763.db2.gz LCTAVTFIXLZKLV-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659989437 419056766 /nfs/dbraw/zinc/05/67/66/419056766.db2.gz LCTAVTFIXLZKLV-CYBMUJFWSA-N 2 2 289.448 3.070 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065461 419069416 /nfs/dbraw/zinc/06/94/16/419069416.db2.gz WNGRECUJYRTXRO-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065461 419069417 /nfs/dbraw/zinc/06/94/17/419069417.db2.gz WNGRECUJYRTXRO-UOVPBQLFSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655703999 419071412 /nfs/dbraw/zinc/07/14/12/419071412.db2.gz PBYNGYTXQZRQDY-HYVNUMGLSA-N 2 2 294.483 3.044 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068486 419071850 /nfs/dbraw/zinc/07/18/50/419071850.db2.gz JGDCMZCEKQFWHP-DLBZAZTESA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1)C1CCCCC1 ZINC000660068486 419071855 /nfs/dbraw/zinc/07/18/55/419071855.db2.gz JGDCMZCEKQFWHP-DLBZAZTESA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c[nH+]1 ZINC000656275225 419163466 /nfs/dbraw/zinc/16/34/66/419163466.db2.gz VFLCEMQEORIOQU-WKILWMFISA-N 2 2 276.424 3.258 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000656278278 419165755 /nfs/dbraw/zinc/16/57/55/419165755.db2.gz QMGKYFSZOUCUQA-MOPGFXCFSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000656278278 419165758 /nfs/dbraw/zinc/16/57/58/419165758.db2.gz QMGKYFSZOUCUQA-MOPGFXCFSA-N 2 2 284.447 3.008 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000656433161 419169473 /nfs/dbraw/zinc/16/94/73/419169473.db2.gz LJXVIRMXSVKUST-CQSZACIVSA-N 2 2 283.366 3.346 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000656433161 419169477 /nfs/dbraw/zinc/16/94/77/419169477.db2.gz LJXVIRMXSVKUST-CQSZACIVSA-N 2 2 283.366 3.346 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000656422750 419170442 /nfs/dbraw/zinc/17/04/42/419170442.db2.gz VSDXSVIQOFMMMM-UHFFFAOYSA-N 2 2 275.371 3.014 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000656422750 419170445 /nfs/dbraw/zinc/17/04/45/419170445.db2.gz VSDXSVIQOFMMMM-UHFFFAOYSA-N 2 2 275.371 3.014 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666082536 419188486 /nfs/dbraw/zinc/18/84/86/419188486.db2.gz IYLPOWVVJXXEDH-OCCSQVGLSA-N 2 2 289.810 3.072 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000655941006 419128899 /nfs/dbraw/zinc/12/88/99/419128899.db2.gz KGNQARCACYXNBS-PMUMKWKESA-N 2 2 290.451 3.295 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657292112 419244204 /nfs/dbraw/zinc/24/42/04/419244204.db2.gz ILMBVWORQLOYRK-MRXNPFEDSA-N 2 2 269.392 3.460 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)C1CC1)CCC2 ZINC000657294908 419244424 /nfs/dbraw/zinc/24/44/24/419244424.db2.gz HIIYOMFNEPUFKT-KRWDZBQOSA-N 2 2 267.376 3.070 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657358804 419259145 /nfs/dbraw/zinc/25/91/45/419259145.db2.gz OCOCBWTYRNIKAX-OAHLLOKOSA-N 2 2 283.419 3.167 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676574 419198217 /nfs/dbraw/zinc/19/82/17/419198217.db2.gz OIXBJSMTLJBDDQ-DOMZBBRYSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676574 419198221 /nfs/dbraw/zinc/19/82/21/419198221.db2.gz OIXBJSMTLJBDDQ-DOMZBBRYSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CC1(F)F ZINC000666227326 419200742 /nfs/dbraw/zinc/20/07/42/419200742.db2.gz FCKWQWBAPPOXFG-WMHQRMGPSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CC1(F)F ZINC000666227326 419200745 /nfs/dbraw/zinc/20/07/45/419200745.db2.gz FCKWQWBAPPOXFG-WMHQRMGPSA-N 2 2 294.389 3.455 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCCC1 ZINC000656788852 419221261 /nfs/dbraw/zinc/22/12/61/419221261.db2.gz DWANVJFGBVBCEL-UHFFFAOYSA-N 2 2 299.393 3.249 20 0 CGADLP Cc1ccc(NCc2[nH+]ccn2C(C)C)c(C[NH+](C)C)c1 ZINC000657409996 419272875 /nfs/dbraw/zinc/27/28/75/419272875.db2.gz JIPZIMLNUBCTFY-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cc3ccncc3s1)CCCC2 ZINC000657459835 419284051 /nfs/dbraw/zinc/28/40/51/419284051.db2.gz IBLKBBYUFYHZMX-UHFFFAOYSA-N 2 2 298.415 3.119 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@@H+]1Cc1ccccc1 ZINC000657645330 419318621 /nfs/dbraw/zinc/31/86/21/419318621.db2.gz SAMPUCMVZHLICG-HOCLYGCPSA-N 2 2 278.415 3.377 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@H+]1Cc1ccccc1 ZINC000657645330 419318622 /nfs/dbraw/zinc/31/86/22/419318622.db2.gz SAMPUCMVZHLICG-HOCLYGCPSA-N 2 2 278.415 3.377 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000657563196 419306537 /nfs/dbraw/zinc/30/65/37/419306537.db2.gz QCQMXZINHXQYER-DLBZAZTESA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000657563196 419306539 /nfs/dbraw/zinc/30/65/39/419306539.db2.gz QCQMXZINHXQYER-DLBZAZTESA-N 2 2 272.436 3.006 20 0 CGADLP CC[C@H](C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657587600 419310719 /nfs/dbraw/zinc/31/07/19/419310719.db2.gz YLFWQCMOXKKFHU-AWEZNQCLSA-N 2 2 257.381 3.398 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC000657678459 419326880 /nfs/dbraw/zinc/32/68/80/419326880.db2.gz QTVXNWIUJIJKQO-ILXRZTDVSA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC000657678459 419326882 /nfs/dbraw/zinc/32/68/82/419326882.db2.gz QTVXNWIUJIJKQO-ILXRZTDVSA-N 2 2 282.497 3.267 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000193122395 228059890 /nfs/dbraw/zinc/05/98/90/228059890.db2.gz GSPDNTIYZWLAKZ-DZGCQCFKSA-N 2 2 271.408 3.291 20 0 CGADLP Cc1cccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)n1 ZINC000353653702 228139761 /nfs/dbraw/zinc/13/97/61/228139761.db2.gz ILIOMBPRYISTKZ-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP Cc1cccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)n1 ZINC000353653702 228139764 /nfs/dbraw/zinc/13/97/64/228139764.db2.gz ILIOMBPRYISTKZ-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000657742655 419336093 /nfs/dbraw/zinc/33/60/93/419336093.db2.gz WZTQYWKQRGQZJD-CJNGLKHVSA-N 2 2 264.388 3.003 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000657742655 419336095 /nfs/dbraw/zinc/33/60/95/419336095.db2.gz WZTQYWKQRGQZJD-CJNGLKHVSA-N 2 2 264.388 3.003 20 0 CGADLP CCCCC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000662156308 419345834 /nfs/dbraw/zinc/34/58/34/419345834.db2.gz QKNJFBGSHOGRKO-HNNXBMFYSA-N 2 2 263.429 3.397 20 0 CGADLP CCCCC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000662156308 419345841 /nfs/dbraw/zinc/34/58/41/419345841.db2.gz QKNJFBGSHOGRKO-HNNXBMFYSA-N 2 2 263.429 3.397 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCSCC2)c[nH+]1 ZINC000657848426 419388700 /nfs/dbraw/zinc/38/87/00/419388700.db2.gz QHSLJEDXNRULNE-OAHLLOKOSA-N 2 2 287.432 3.248 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cnccc2o1 ZINC000657830129 419376810 /nfs/dbraw/zinc/37/68/10/419376810.db2.gz LGPUCTOOMUPBBM-GFCCVEGCSA-N 2 2 285.391 3.105 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657829244 419377320 /nfs/dbraw/zinc/37/73/20/419377320.db2.gz BNQJTQAHIWRDQI-NSHDSACASA-N 2 2 295.377 3.297 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)F)nc1 ZINC000657844410 419386660 /nfs/dbraw/zinc/38/66/60/419386660.db2.gz MIGKPQKGKWGBDL-LBPRGKRZSA-N 2 2 294.349 3.347 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055905 419523102 /nfs/dbraw/zinc/52/31/02/419523102.db2.gz JUZDZFCLDGAYTR-CABCVRRESA-N 2 2 289.467 3.276 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055905 419523109 /nfs/dbraw/zinc/52/31/09/419523109.db2.gz JUZDZFCLDGAYTR-CABCVRRESA-N 2 2 289.467 3.276 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055917 419524026 /nfs/dbraw/zinc/52/40/26/419524026.db2.gz JUZDZFCLDGAYTR-LSDHHAIUSA-N 2 2 289.467 3.276 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055917 419524035 /nfs/dbraw/zinc/52/40/35/419524035.db2.gz JUZDZFCLDGAYTR-LSDHHAIUSA-N 2 2 289.467 3.276 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658058993 419533888 /nfs/dbraw/zinc/53/38/88/419533888.db2.gz GXIZPXMHNKJEQT-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658058993 419533893 /nfs/dbraw/zinc/53/38/93/419533893.db2.gz GXIZPXMHNKJEQT-WDEREUQCSA-N 2 2 266.351 3.180 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000663506366 419639496 /nfs/dbraw/zinc/63/94/96/419639496.db2.gz DOXVSHBLBDBENV-NSHDSACASA-N 2 2 294.345 3.139 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000663396798 419590291 /nfs/dbraw/zinc/59/02/91/419590291.db2.gz DUOQUQZECJGSOD-QWHCGFSZSA-N 2 2 299.340 3.448 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000663396798 419590294 /nfs/dbraw/zinc/59/02/94/419590294.db2.gz DUOQUQZECJGSOD-QWHCGFSZSA-N 2 2 299.340 3.448 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c2cccc(F)c2[nH+]1 ZINC000663428307 419602773 /nfs/dbraw/zinc/60/27/73/419602773.db2.gz FYOJIKCEECVINB-LBPRGKRZSA-N 2 2 285.366 3.331 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2cccc(F)c2[nH+]1 ZINC000663428307 419602784 /nfs/dbraw/zinc/60/27/84/419602784.db2.gz FYOJIKCEECVINB-LBPRGKRZSA-N 2 2 285.366 3.331 20 0 CGADLP C[N@H+](CCNc1[nH+]ccc2c(N)cccc21)C1CCCCC1 ZINC000663440669 419604877 /nfs/dbraw/zinc/60/48/77/419604877.db2.gz OTSWKKYVSYCVBK-UHFFFAOYSA-N 2 2 298.434 3.493 20 0 CGADLP C[N@@H+](CCNc1[nH+]ccc2c(N)cccc21)C1CCCCC1 ZINC000663440669 419604884 /nfs/dbraw/zinc/60/48/84/419604884.db2.gz OTSWKKYVSYCVBK-UHFFFAOYSA-N 2 2 298.434 3.493 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000663512717 419640177 /nfs/dbraw/zinc/64/01/77/419640177.db2.gz HNKPYYDSMZVISF-NXEZZACHSA-N 2 2 275.223 3.122 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658221105 419676893 /nfs/dbraw/zinc/67/68/93/419676893.db2.gz SWKNYIVXZRIZGV-VKJFTORMSA-N 2 2 299.418 3.481 20 0 CGADLP CCOC1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000658240162 419697533 /nfs/dbraw/zinc/69/75/33/419697533.db2.gz QSMWFCBTOJHRHH-GTPINHCMSA-N 2 2 282.472 3.044 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000658283728 419728268 /nfs/dbraw/zinc/72/82/68/419728268.db2.gz COYNESHGOIROSM-ZFWWWQNUSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000658283728 419728277 /nfs/dbraw/zinc/72/82/77/419728277.db2.gz COYNESHGOIROSM-ZFWWWQNUSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccsc2)C1 ZINC000658283726 419729744 /nfs/dbraw/zinc/72/97/44/419729744.db2.gz COYNESHGOIROSM-UKRRQHHQSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccsc2)C1 ZINC000658283726 419729755 /nfs/dbraw/zinc/72/97/55/419729755.db2.gz COYNESHGOIROSM-UKRRQHHQSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000658286801 419731527 /nfs/dbraw/zinc/73/15/27/419731527.db2.gz CFRXYPSXNRRRIO-HOCLYGCPSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000658286801 419731539 /nfs/dbraw/zinc/73/15/39/419731539.db2.gz CFRXYPSXNRRRIO-HOCLYGCPSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286496 419732777 /nfs/dbraw/zinc/73/27/77/419732777.db2.gz TWWDSEVGTJAMFR-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286496 419732787 /nfs/dbraw/zinc/73/27/87/419732787.db2.gz TWWDSEVGTJAMFR-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000658286803 419733266 /nfs/dbraw/zinc/73/32/66/419733266.db2.gz CFRXYPSXNRRRIO-ZBFHGGJFSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000658286803 419733276 /nfs/dbraw/zinc/73/32/76/419733276.db2.gz CFRXYPSXNRRRIO-ZBFHGGJFSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000658287526 419738688 /nfs/dbraw/zinc/73/86/88/419738688.db2.gz ZOCVOFZXFQDKPR-ROUUACIJSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000658287526 419738698 /nfs/dbraw/zinc/73/86/98/419738698.db2.gz ZOCVOFZXFQDKPR-ROUUACIJSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+]3C[C@@H](C)OC[C@H]3C)c2c1 ZINC000664241946 419865139 /nfs/dbraw/zinc/86/51/39/419865139.db2.gz KJQNDLYRCFWFKA-HUUCEWRRSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+]3C[C@@H](C)OC[C@H]3C)c2c1 ZINC000664241946 419865142 /nfs/dbraw/zinc/86/51/42/419865142.db2.gz KJQNDLYRCFWFKA-HUUCEWRRSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC[C@H](C)[NH+](C)C ZINC000664245591 419865827 /nfs/dbraw/zinc/86/58/27/419865827.db2.gz ZEZZAMGSQZBNMC-ZDUSSCGKSA-N 2 2 257.381 3.295 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000414308571 262840502 /nfs/dbraw/zinc/84/05/02/262840502.db2.gz GGMBDLKGKNDIHZ-GJZGRUSLSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000273195913 263013955 /nfs/dbraw/zinc/01/39/55/263013955.db2.gz HWUGDFHGDQLIPZ-UONOGXRCSA-N 2 2 279.403 3.136 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000042314734 270032186 /nfs/dbraw/zinc/03/21/86/270032186.db2.gz ZKXYPMIJUSCBSW-QGZVFWFLSA-N 2 2 260.425 3.459 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094425 270038342 /nfs/dbraw/zinc/03/83/42/270038342.db2.gz SOHYRJKVYHHACB-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1ccc(C2CC([NH2+]C[C@H](C)[N@H+](C)C3CC3)C2)cc1 ZINC000228821249 270088034 /nfs/dbraw/zinc/08/80/34/270088034.db2.gz DFVGDRKKUAMQNI-OOHWJJMZSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc(C2CC([NH2+]C[C@H](C)[N@@H+](C)C3CC3)C2)cc1 ZINC000228821249 270088035 /nfs/dbraw/zinc/08/80/35/270088035.db2.gz DFVGDRKKUAMQNI-OOHWJJMZSA-N 2 2 272.436 3.313 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527098585 270125023 /nfs/dbraw/zinc/12/50/23/270125023.db2.gz DPVUBAOCKRXUBT-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527098585 270125024 /nfs/dbraw/zinc/12/50/24/270125024.db2.gz DPVUBAOCKRXUBT-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000527098610 270125146 /nfs/dbraw/zinc/12/51/46/270125146.db2.gz WPMQNCGCCJZXIA-NZSAHSFTSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000527098610 270125147 /nfs/dbraw/zinc/12/51/47/270125147.db2.gz WPMQNCGCCJZXIA-NZSAHSFTSA-N 2 2 286.463 3.329 20 0 CGADLP c1[nH]nc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc12 ZINC000527751607 270134553 /nfs/dbraw/zinc/13/45/53/270134553.db2.gz JZMUTAQUHCCJHL-KRWDZBQOSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc12 ZINC000527751607 270134554 /nfs/dbraw/zinc/13/45/54/270134554.db2.gz JZMUTAQUHCCJHL-KRWDZBQOSA-N 2 2 298.434 3.060 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811198 270137632 /nfs/dbraw/zinc/13/76/32/270137632.db2.gz XFKOOHFDGOGPLH-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811198 270137633 /nfs/dbraw/zinc/13/76/33/270137633.db2.gz XFKOOHFDGOGPLH-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808939 270137810 /nfs/dbraw/zinc/13/78/10/270137810.db2.gz RHESSAIOUAEXQL-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808939 270137811 /nfs/dbraw/zinc/13/78/11/270137811.db2.gz RHESSAIOUAEXQL-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527864613 270140502 /nfs/dbraw/zinc/14/05/02/270140502.db2.gz LIOUXPUIIHXZKE-RRFJBIMHSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527864613 270140503 /nfs/dbraw/zinc/14/05/03/270140503.db2.gz LIOUXPUIIHXZKE-RRFJBIMHSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)[NH2+]C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527880497 270141563 /nfs/dbraw/zinc/14/15/63/270141563.db2.gz LGEAQKNHMTWVPZ-UHFFFAOYSA-N 2 2 269.392 3.202 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527889595 270142256 /nfs/dbraw/zinc/14/22/56/270142256.db2.gz GHWXOVSNSKKUIY-LMSBXDPUSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527889595 270142257 /nfs/dbraw/zinc/14/22/57/270142257.db2.gz GHWXOVSNSKKUIY-LMSBXDPUSA-N 2 2 284.447 3.285 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c1 ZINC000527893466 270142336 /nfs/dbraw/zinc/14/23/36/270142336.db2.gz QOEYHTCQEICEGG-FUHWJXTLSA-N 2 2 283.419 3.493 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC000527938272 270145662 /nfs/dbraw/zinc/14/56/62/270145662.db2.gz XAWMMRPEIGSIFY-WBVHZDCISA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4ccccc43)CC[C@@H]21 ZINC000527938272 270145663 /nfs/dbraw/zinc/14/56/63/270145663.db2.gz XAWMMRPEIGSIFY-WBVHZDCISA-N 2 2 281.403 3.155 20 0 CGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527948871 270146367 /nfs/dbraw/zinc/14/63/67/270146367.db2.gz MPAUZHIMTFJWSM-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527948871 270146368 /nfs/dbraw/zinc/14/63/68/270146368.db2.gz MPAUZHIMTFJWSM-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528000087 270149811 /nfs/dbraw/zinc/14/98/11/270149811.db2.gz IQYRKPGMSMDHTI-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528000087 270149812 /nfs/dbraw/zinc/14/98/12/270149812.db2.gz IQYRKPGMSMDHTI-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001656 270149994 /nfs/dbraw/zinc/14/99/94/270149994.db2.gz MNPXUNWOWYLHLL-ZBCRRDGASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001656 270149995 /nfs/dbraw/zinc/14/99/95/270149995.db2.gz MNPXUNWOWYLHLL-ZBCRRDGASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015771 270151420 /nfs/dbraw/zinc/15/14/20/270151420.db2.gz YPCPDVYYFPICBZ-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015771 270151421 /nfs/dbraw/zinc/15/14/21/270151421.db2.gz YPCPDVYYFPICBZ-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528015912 270151491 /nfs/dbraw/zinc/15/14/91/270151491.db2.gz ZZMMPAFHJOLAFK-HZPDHXFCSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528015912 270151492 /nfs/dbraw/zinc/15/14/92/270151492.db2.gz ZZMMPAFHJOLAFK-HZPDHXFCSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1nc2ccccc2s1 ZINC000528604866 270169001 /nfs/dbraw/zinc/16/90/01/270169001.db2.gz VTLRXVWKCLUGCH-UHFFFAOYSA-N 2 2 286.404 3.018 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc(C)c1O ZINC000529670085 270187670 /nfs/dbraw/zinc/18/76/70/270187670.db2.gz QXIYAJQSMUBUJK-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc(C)c1O ZINC000529670085 270187671 /nfs/dbraw/zinc/18/76/71/270187671.db2.gz QXIYAJQSMUBUJK-QGZVFWFLSA-N 2 2 288.435 3.116 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216654 270195630 /nfs/dbraw/zinc/19/56/30/270195630.db2.gz CXNDWWHQMYCOMK-PBHICJAKSA-N 2 2 288.435 3.409 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCC2)o1 ZINC000530216109 270195814 /nfs/dbraw/zinc/19/58/14/270195814.db2.gz MONXCXBVNDLLIX-CVEARBPZSA-N 2 2 274.408 3.303 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530217799 270196139 /nfs/dbraw/zinc/19/61/39/270196139.db2.gz HXJWLBUBJUMUHP-SMDDNHRTSA-N 2 2 296.361 3.223 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530217710 270196203 /nfs/dbraw/zinc/19/62/03/270196203.db2.gz HBRARYGNAUZSQD-HZPDHXFCSA-N 2 2 274.383 3.151 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530218403 270196235 /nfs/dbraw/zinc/19/62/35/270196235.db2.gz IVZDYZRNMKDRJN-SMDDNHRTSA-N 2 2 264.438 3.246 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530220544 270196660 /nfs/dbraw/zinc/19/66/60/270196660.db2.gz OOUNEBGRQYKBGL-DLBZAZTESA-N 2 2 288.435 3.411 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc2ccccc2o1 ZINC000530223599 270196674 /nfs/dbraw/zinc/19/66/74/270196674.db2.gz TXCZQHTUZXNKKC-BLLLJJGKSA-N 2 2 270.376 3.368 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000531682497 270208418 /nfs/dbraw/zinc/20/84/18/270208418.db2.gz JEKKNEKVCQSGEH-LPHOPBHVSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000531682497 270208419 /nfs/dbraw/zinc/20/84/19/270208419.db2.gz JEKKNEKVCQSGEH-LPHOPBHVSA-N 2 2 286.463 3.329 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCOc3ccccc32)c[nH+]1 ZINC000531683989 270208434 /nfs/dbraw/zinc/20/84/34/270208434.db2.gz YTSZXMZKGSZXPS-MRXNPFEDSA-N 2 2 285.391 3.167 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)C ZINC000532524302 270216790 /nfs/dbraw/zinc/21/67/90/270216790.db2.gz QFDQWFOOXDCRDN-KRWDZBQOSA-N 2 2 274.452 3.110 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532155 270217133 /nfs/dbraw/zinc/21/71/33/270217133.db2.gz FWRDVJTYVRDRII-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532155 270217134 /nfs/dbraw/zinc/21/71/34/270217134.db2.gz FWRDVJTYVRDRII-WBMJQRKESA-N 2 2 278.827 3.259 20 0 CGADLP COc1cccc2c(N3CC[NH+](CC(C)C)CC3)cc[nH+]c12 ZINC000302403064 274150045 /nfs/dbraw/zinc/15/00/45/274150045.db2.gz FHLAWULYORTFDP-UHFFFAOYSA-N 2 2 299.418 3.021 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)[NH+](C)C ZINC000038087907 274224970 /nfs/dbraw/zinc/22/49/70/274224970.db2.gz LZMNIDFVNMLMQM-XJKSGUPXSA-N 2 2 260.425 3.339 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000423123791 274263661 /nfs/dbraw/zinc/26/36/61/274263661.db2.gz NIVDVTJPNMUIOT-MIMYLULJSA-N 2 2 270.829 3.119 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCSC2)cc1 ZINC000414853240 275749765 /nfs/dbraw/zinc/74/97/65/275749765.db2.gz XGHILHGZLMDZOI-HZPDHXFCSA-N 2 2 278.465 3.295 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423395513 275816063 /nfs/dbraw/zinc/81/60/63/275816063.db2.gz SUXSRUUAVUEMBQ-IAGOWNOFSA-N 2 2 288.435 3.137 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100861 276023454 /nfs/dbraw/zinc/02/34/54/276023454.db2.gz IPPKNMOHYMKSLM-HOTGVXAUSA-N 2 2 283.419 3.268 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100861 276023455 /nfs/dbraw/zinc/02/34/55/276023455.db2.gz IPPKNMOHYMKSLM-HOTGVXAUSA-N 2 2 283.419 3.268 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000361980276 276045606 /nfs/dbraw/zinc/04/56/06/276045606.db2.gz JEJFJGWOUOITJH-RLCCDNCMSA-N 2 2 282.378 3.346 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000361980276 276045607 /nfs/dbraw/zinc/04/56/07/276045607.db2.gz JEJFJGWOUOITJH-RLCCDNCMSA-N 2 2 282.378 3.346 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000248533224 276175475 /nfs/dbraw/zinc/17/54/75/276175475.db2.gz SQXPAALMJCORDM-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000248533224 276175476 /nfs/dbraw/zinc/17/54/76/276175476.db2.gz SQXPAALMJCORDM-HIFRSBDPSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019960385 276187204 /nfs/dbraw/zinc/18/72/04/276187204.db2.gz WOAKNOAOLQCASH-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019960385 276187205 /nfs/dbraw/zinc/18/72/05/276187205.db2.gz WOAKNOAOLQCASH-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000122291150 276222521 /nfs/dbraw/zinc/22/25/21/276222521.db2.gz XMGVFTAFBDBWQL-URGYJCLVSA-N 2 2 250.430 3.170 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000122291150 276222523 /nfs/dbraw/zinc/22/25/23/276222523.db2.gz XMGVFTAFBDBWQL-URGYJCLVSA-N 2 2 250.430 3.170 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000353988956 276260773 /nfs/dbraw/zinc/26/07/73/276260773.db2.gz YXISQNRNSSTTDA-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000353988956 276260774 /nfs/dbraw/zinc/26/07/74/276260774.db2.gz YXISQNRNSSTTDA-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000491424687 276374089 /nfs/dbraw/zinc/37/40/89/276374089.db2.gz WLSNOYVKKSRCQK-QGPMSJSTSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000491424687 276374091 /nfs/dbraw/zinc/37/40/91/276374091.db2.gz WLSNOYVKKSRCQK-QGPMSJSTSA-N 2 2 272.436 3.302 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC3(CCC3)C2)Cc2ccccc2C1 ZINC000448057148 276770312 /nfs/dbraw/zinc/77/03/12/276770312.db2.gz ANSLEDKBSMROSU-UHFFFAOYSA-N 2 2 284.447 3.008 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2cc(F)ccc2C1 ZINC000351920746 277046781 /nfs/dbraw/zinc/04/67/81/277046781.db2.gz GBGLFDNZJZWMEF-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2cc(F)ccc2C1 ZINC000351920746 277046782 /nfs/dbraw/zinc/04/67/82/277046782.db2.gz GBGLFDNZJZWMEF-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000351920746 277046785 /nfs/dbraw/zinc/04/67/85/277046785.db2.gz GBGLFDNZJZWMEF-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000351920746 277046786 /nfs/dbraw/zinc/04/67/86/277046786.db2.gz GBGLFDNZJZWMEF-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP COC1(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000318926111 277187552 /nfs/dbraw/zinc/18/75/52/277187552.db2.gz DTOOAAWIVYTTJY-KRWDZBQOSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cnccc2C)n1-c1ccccc1 ZINC000318162971 287944216 /nfs/dbraw/zinc/94/42/16/287944216.db2.gz DNCPSGLQUMCFLV-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152767491 278058970 /nfs/dbraw/zinc/05/89/70/278058970.db2.gz UURVGBSSCADVQD-CQSZACIVSA-N 2 2 299.418 3.121 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359635677 278168449 /nfs/dbraw/zinc/16/84/49/278168449.db2.gz PJXHFTGOHBNDOS-DMDPSCGWSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359635677 278168451 /nfs/dbraw/zinc/16/84/51/278168451.db2.gz PJXHFTGOHBNDOS-DMDPSCGWSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccccc1 ZINC000368102006 278276380 /nfs/dbraw/zinc/27/63/80/278276380.db2.gz MHZQYHAMFVJPHD-VNHYZAJKSA-N 2 2 269.392 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000368102006 278276383 /nfs/dbraw/zinc/27/63/83/278276383.db2.gz MHZQYHAMFVJPHD-VNHYZAJKSA-N 2 2 269.392 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c[nH+]ccc1N ZINC000423166034 278278088 /nfs/dbraw/zinc/27/80/88/278278088.db2.gz ZAIUXGASRJCYJU-BFQNTYOBSA-N 2 2 283.375 3.057 20 0 CGADLP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000287677704 278286182 /nfs/dbraw/zinc/28/61/82/278286182.db2.gz JFAMSFDSLFOJFX-WFASDCNBSA-N 2 2 295.390 3.061 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000301900026 278287625 /nfs/dbraw/zinc/28/76/25/278287625.db2.gz YRGHXOIUDOSAPV-STQMWFEESA-N 2 2 272.396 3.095 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCC[C@H](C)C1 ZINC000301900026 278287628 /nfs/dbraw/zinc/28/76/28/278287628.db2.gz YRGHXOIUDOSAPV-STQMWFEESA-N 2 2 272.396 3.095 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424206594 278311462 /nfs/dbraw/zinc/31/14/62/278311462.db2.gz PFNDWQDGJWXJOM-SOVHRIKKSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424206594 278311464 /nfs/dbraw/zinc/31/14/64/278311464.db2.gz PFNDWQDGJWXJOM-SOVHRIKKSA-N 2 2 270.420 3.210 20 0 CGADLP CC(C)(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507520240 278318630 /nfs/dbraw/zinc/31/86/30/278318630.db2.gz OHWKLLGXCLJWBT-UHFFFAOYSA-N 2 2 280.378 3.429 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000397884152 288033950 /nfs/dbraw/zinc/03/39/50/288033950.db2.gz MFIHTEOMGSLHCF-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000397897348 288034389 /nfs/dbraw/zinc/03/43/89/288034389.db2.gz SVDRGDBUFWQJNQ-UHFFFAOYSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1Cl ZINC000336564549 278387949 /nfs/dbraw/zinc/38/79/49/278387949.db2.gz KQGHJZJZFWTQKB-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1Cl ZINC000336564549 278387950 /nfs/dbraw/zinc/38/79/50/278387950.db2.gz KQGHJZJZFWTQKB-KOLCDFICSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336415158 278388277 /nfs/dbraw/zinc/38/82/77/278388277.db2.gz ZSURHGDNFIVDPO-YPMHNXCESA-N 2 2 283.366 3.002 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC000484467177 288047294 /nfs/dbraw/zinc/04/72/94/288047294.db2.gz NKAZCHFJHLEKOV-HOTGVXAUSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390992 279006549 /nfs/dbraw/zinc/00/65/49/279006549.db2.gz NORIDULQWDWNSB-ILXRZTDVSA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390992 279006550 /nfs/dbraw/zinc/00/65/50/279006550.db2.gz NORIDULQWDWNSB-ILXRZTDVSA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000480617643 279022016 /nfs/dbraw/zinc/02/20/16/279022016.db2.gz ZBCMZGTUAFEATF-CRAIPNDOSA-N 2 2 272.436 3.241 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000072860629 279040229 /nfs/dbraw/zinc/04/02/29/279040229.db2.gz XFUBYXLARMXGIN-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000072860629 279040230 /nfs/dbraw/zinc/04/02/30/279040230.db2.gz XFUBYXLARMXGIN-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000072860629 279040233 /nfs/dbraw/zinc/04/02/33/279040233.db2.gz XFUBYXLARMXGIN-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000072860629 279040234 /nfs/dbraw/zinc/04/02/34/279040234.db2.gz XFUBYXLARMXGIN-UONOGXRCSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000514108037 279095192 /nfs/dbraw/zinc/09/51/92/279095192.db2.gz UILPKOBAYACELA-UHFFFAOYSA-N 2 2 282.472 3.144 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000514108037 279095193 /nfs/dbraw/zinc/09/51/93/279095193.db2.gz UILPKOBAYACELA-UHFFFAOYSA-N 2 2 282.472 3.144 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CCC[N@@H+]1C ZINC000342739869 279126323 /nfs/dbraw/zinc/12/63/23/279126323.db2.gz PPXQWICSRSSGIV-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)CCC[N@H+]1C ZINC000342739869 279126325 /nfs/dbraw/zinc/12/63/25/279126325.db2.gz PPXQWICSRSSGIV-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP CC[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)[NH+]1CCCC1 ZINC000480817573 288109637 /nfs/dbraw/zinc/10/96/37/288109637.db2.gz MDPMXPPBPNDSLG-QGPMSJSTSA-N 2 2 272.436 3.384 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCS2 ZINC000423545025 279466695 /nfs/dbraw/zinc/46/66/95/279466695.db2.gz DLXJSQVAPHDMEX-TZMCWYRMSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)[C@H]1CCC[NH2+]1 ZINC000423024023 279536033 /nfs/dbraw/zinc/53/60/33/279536033.db2.gz IKGWJXVNUHWYSH-GLQYFDAESA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526970970 288154849 /nfs/dbraw/zinc/15/48/49/288154849.db2.gz CWTZOXFSCOVODZ-NVXWUHKLSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526970970 288154851 /nfs/dbraw/zinc/15/48/51/288154851.db2.gz CWTZOXFSCOVODZ-NVXWUHKLSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970970 288154853 /nfs/dbraw/zinc/15/48/53/288154853.db2.gz CWTZOXFSCOVODZ-NVXWUHKLSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970970 288154855 /nfs/dbraw/zinc/15/48/55/288154855.db2.gz CWTZOXFSCOVODZ-NVXWUHKLSA-N 2 2 290.426 3.473 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2cccc(O)c2)c[nH+]1 ZINC000527509781 288174110 /nfs/dbraw/zinc/17/41/10/288174110.db2.gz JYJZBGABEFVPDL-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2cccc(O)c2)c[nH+]1 ZINC000527509781 288174114 /nfs/dbraw/zinc/17/41/14/288174114.db2.gz JYJZBGABEFVPDL-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000227082259 280020959 /nfs/dbraw/zinc/02/09/59/280020959.db2.gz MHHNQCHDFRIAGW-KSZLIROESA-N 2 2 290.451 3.083 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152765389 280035845 /nfs/dbraw/zinc/03/58/45/280035845.db2.gz ILZQQDRPHZTMKM-LIRRHRJNSA-N 2 2 295.430 3.285 20 0 CGADLP COc1ccc([C@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)cn1 ZINC000528848350 288223687 /nfs/dbraw/zinc/22/36/87/288223687.db2.gz BBANDZGRAIGJLN-GOSISDBHSA-N 2 2 297.402 3.077 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423372572 281116353 /nfs/dbraw/zinc/11/63/53/281116353.db2.gz RCYNMCCPHDHTGQ-WQVCFCJDSA-N 2 2 294.389 3.189 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2)c1 ZINC000530179119 288295890 /nfs/dbraw/zinc/29/58/90/288295890.db2.gz UARDVOYZUZIYSK-GOSISDBHSA-N 2 2 293.414 3.123 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358130645 281271578 /nfs/dbraw/zinc/27/15/78/281271578.db2.gz MSXZZTFZWFHJHT-JEBQAFNWSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358130645 281271579 /nfs/dbraw/zinc/27/15/79/281271579.db2.gz MSXZZTFZWFHJHT-JEBQAFNWSA-N 2 2 270.420 3.055 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)C1CCCC1 ZINC000423494525 281459478 /nfs/dbraw/zinc/45/94/78/281459478.db2.gz ASIQCLIPJGFNSQ-CXAGYDPISA-N 2 2 260.425 3.417 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3occc31)CCC2 ZINC000365735615 281548436 /nfs/dbraw/zinc/54/84/36/281548436.db2.gz LQSDDMWNOOVPKN-UKRRQHHQSA-N 2 2 285.391 3.329 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000531728506 288343897 /nfs/dbraw/zinc/34/38/97/288343897.db2.gz CGRHEZPKQHTXBG-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000531728506 288343900 /nfs/dbraw/zinc/34/39/00/288343900.db2.gz CGRHEZPKQHTXBG-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239587 288357197 /nfs/dbraw/zinc/35/71/97/288357197.db2.gz DYMYCGRRMUZLNZ-ZBFHGGJFSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239587 288357199 /nfs/dbraw/zinc/35/71/99/288357199.db2.gz DYMYCGRRMUZLNZ-ZBFHGGJFSA-N 2 2 260.425 3.296 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000532442527 288360692 /nfs/dbraw/zinc/36/06/92/288360692.db2.gz UJCDATNINJYAOT-OAHLLOKOSA-N 2 2 275.783 3.204 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000532540716 288366106 /nfs/dbraw/zinc/36/61/06/288366106.db2.gz VONSLIPIYBEVKI-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000532540716 288366110 /nfs/dbraw/zinc/36/61/10/288366110.db2.gz VONSLIPIYBEVKI-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540712 288366220 /nfs/dbraw/zinc/36/62/20/288366220.db2.gz UJOXTPKTSVMDPZ-KXBFYZLASA-N 2 2 298.430 3.148 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540712 288366221 /nfs/dbraw/zinc/36/62/21/288366221.db2.gz UJOXTPKTSVMDPZ-KXBFYZLASA-N 2 2 298.430 3.148 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310970942 282016458 /nfs/dbraw/zinc/01/64/58/282016458.db2.gz ICJJKYJVOHNTFF-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000449062592 288433025 /nfs/dbraw/zinc/43/30/25/288433025.db2.gz YTPDXXNUCLLVNQ-PVAVHDDUSA-N 2 2 290.476 3.165 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548623066 289013631 /nfs/dbraw/zinc/01/36/31/289013631.db2.gz GQVWMRXFFYQPTA-KGLIPLIRSA-N 2 2 261.413 3.004 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)CC2 ZINC000548635667 289014028 /nfs/dbraw/zinc/01/40/28/289014028.db2.gz IUNOZQTUHMMDRM-SJORKVTESA-N 2 2 281.403 3.329 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000548883127 289027272 /nfs/dbraw/zinc/02/72/72/289027272.db2.gz COONKXUEPBXGJL-USXIJHARSA-N 2 2 267.376 3.151 20 0 CGADLP C(C[N@@H+]1CC[C@H](CC2CC2)C1)[NH+]1CC[C@H](CC2CC2)C1 ZINC000550032519 289065023 /nfs/dbraw/zinc/06/50/23/289065023.db2.gz PJVZZTCURIUUDG-QZTJIDSGSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@H](CC2CC2)C1)[NH+]1CC[C@H](CC2CC2)C1 ZINC000550032519 289065026 /nfs/dbraw/zinc/06/50/26/289065026.db2.gz PJVZZTCURIUUDG-QZTJIDSGSA-N 2 2 276.468 3.230 20 0 CGADLP C(C1CCCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551042527 289096354 /nfs/dbraw/zinc/09/63/54/289096354.db2.gz NNCYRTKQMQVOHW-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(C1CCCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551042527 289096358 /nfs/dbraw/zinc/09/63/58/289096358.db2.gz NNCYRTKQMQVOHW-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000554050697 289253598 /nfs/dbraw/zinc/25/35/98/289253598.db2.gz SVVKMLOELOKULY-GJZGRUSLSA-N 2 2 282.497 3.126 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554348401 289273106 /nfs/dbraw/zinc/27/31/06/289273106.db2.gz AVWMQTZLOUTMNO-GBESFXJTSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554348401 289273108 /nfs/dbraw/zinc/27/31/08/289273108.db2.gz AVWMQTZLOUTMNO-GBESFXJTSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000554725091 289304555 /nfs/dbraw/zinc/30/45/55/289304555.db2.gz KIPMJWLKOHZXKR-DZJNRPSUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000554725091 289304557 /nfs/dbraw/zinc/30/45/57/289304557.db2.gz KIPMJWLKOHZXKR-DZJNRPSUSA-N 2 2 272.436 3.285 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000554806194 289310026 /nfs/dbraw/zinc/31/00/26/289310026.db2.gz AYHRVNDFSJYYGJ-DLBZAZTESA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000554889757 289317543 /nfs/dbraw/zinc/31/75/43/289317543.db2.gz IDHMHKQWMCWZSE-LFVTVUPYSA-N 2 2 281.403 3.357 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213135 289377643 /nfs/dbraw/zinc/37/76/43/289377643.db2.gz RATBDGAUHFLWDZ-GXTWGEPZSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213135 289377644 /nfs/dbraw/zinc/37/76/44/289377644.db2.gz RATBDGAUHFLWDZ-GXTWGEPZSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000286316621 292793283 /nfs/dbraw/zinc/79/32/83/292793283.db2.gz XKQRKKHTRMROAZ-HNNXBMFYSA-N 2 2 287.451 3.448 20 0 CGADLP COC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423498523 292844023 /nfs/dbraw/zinc/84/40/23/292844023.db2.gz IBVMYSMHDRWXRC-HZPDHXFCSA-N 2 2 296.842 3.135 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423244640 528333842 /nfs/dbraw/zinc/33/38/42/528333842.db2.gz LLIICUGGVGOPTF-AWEZNQCLSA-N 2 2 297.240 3.099 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423355425 302066917 /nfs/dbraw/zinc/06/69/17/302066917.db2.gz FKRDNNWVEVOFLR-XABYNWHXSA-N 2 2 258.409 3.131 20 0 CGADLP FC(F)(F)C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422706771 303115783 /nfs/dbraw/zinc/11/57/83/303115783.db2.gz FWLLLZONJKZZIH-CYBMUJFWSA-N 2 2 272.314 3.022 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C1CCSCC1)c1ccc2ccccc2c1 ZINC000414940818 303392971 /nfs/dbraw/zinc/39/29/71/303392971.db2.gz KOBHODSNDCFCGA-QGZVFWFLSA-N 2 2 286.444 3.325 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000153130593 321713813 /nfs/dbraw/zinc/71/38/13/321713813.db2.gz IYKLCRAJJRNANE-SJLPKXTDSA-N 2 2 290.451 3.004 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000153130794 321714190 /nfs/dbraw/zinc/71/41/90/321714190.db2.gz IYKLCRAJJRNANE-FUHWJXTLSA-N 2 2 290.451 3.004 20 0 CGADLP COc1ccc([C@H](C[NH2+][C@H](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000156641296 321784371 /nfs/dbraw/zinc/78/43/71/321784371.db2.gz IVGDPSBRKHOHKQ-QAPCUYQASA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000564261627 322024365 /nfs/dbraw/zinc/02/43/65/322024365.db2.gz TXWSTIXUVHPLHT-KRWDZBQOSA-N 2 2 297.446 3.328 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(C3CC3)c1)CCCC2 ZINC000564808709 322044325 /nfs/dbraw/zinc/04/43/25/322044325.db2.gz RDYQQBWZBYMUMD-UHFFFAOYSA-N 2 2 281.403 3.387 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000564913785 322049499 /nfs/dbraw/zinc/04/94/99/322049499.db2.gz ZNYCKTRQATWOFY-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000564913785 322049501 /nfs/dbraw/zinc/04/95/01/322049501.db2.gz ZNYCKTRQATWOFY-QGZVFWFLSA-N 2 2 298.430 3.206 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)n1C ZINC000565236368 322068939 /nfs/dbraw/zinc/06/89/39/322068939.db2.gz AAHSJJGALXMTNL-JTQLQIEISA-N 2 2 286.404 3.189 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000565931889 322097034 /nfs/dbraw/zinc/09/70/34/322097034.db2.gz ZUAGOTFWKQXBHQ-HUUCEWRRSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000565931889 322097037 /nfs/dbraw/zinc/09/70/37/322097037.db2.gz ZUAGOTFWKQXBHQ-HUUCEWRRSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)n1C ZINC000566498415 322126933 /nfs/dbraw/zinc/12/69/33/322126933.db2.gz ARVMHNDWKYMGPX-KRWDZBQOSA-N 2 2 289.398 3.225 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000566693029 322135045 /nfs/dbraw/zinc/13/50/45/322135045.db2.gz OWLPYVLMVPHNKX-OAGGEKHMSA-N 2 2 250.430 3.338 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000566693029 322135047 /nfs/dbraw/zinc/13/50/47/322135047.db2.gz OWLPYVLMVPHNKX-OAGGEKHMSA-N 2 2 250.430 3.338 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804584 322138774 /nfs/dbraw/zinc/13/87/74/322138774.db2.gz SRXKTWSXVFQEOX-GHMZBOCLSA-N 2 2 278.783 3.398 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC000566804584 322138775 /nfs/dbraw/zinc/13/87/75/322138775.db2.gz SRXKTWSXVFQEOX-GHMZBOCLSA-N 2 2 278.783 3.398 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000566862966 322141132 /nfs/dbraw/zinc/14/11/32/322141132.db2.gz ATTWEDQCEWYMQQ-HUUCEWRRSA-N 2 2 259.397 3.098 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000566862966 322141133 /nfs/dbraw/zinc/14/11/33/322141133.db2.gz ATTWEDQCEWYMQQ-HUUCEWRRSA-N 2 2 259.397 3.098 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccccc12 ZINC000568768107 322222046 /nfs/dbraw/zinc/22/20/46/322222046.db2.gz GLMLMHSLCMXRLP-KBPBESRZSA-N 2 2 287.407 3.228 20 0 CGADLP CCC[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000569689493 322254511 /nfs/dbraw/zinc/25/45/11/322254511.db2.gz NXVFYINLGMMKOB-UHFFFAOYSA-N 2 2 287.382 3.082 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570176312 322267341 /nfs/dbraw/zinc/26/73/41/322267341.db2.gz LYDZBWPAGLMCCH-INIZCTEOSA-N 2 2 287.407 3.368 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000570203788 322267496 /nfs/dbraw/zinc/26/74/96/322267496.db2.gz KETVOGZDTMZWHI-SUIFULHWSA-N 2 2 266.816 3.283 20 0 CGADLP CC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000570342313 322271130 /nfs/dbraw/zinc/27/11/30/322271130.db2.gz GCAOJVMPYZGMOC-INIZCTEOSA-N 2 2 258.409 3.213 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000570707049 322280228 /nfs/dbraw/zinc/28/02/28/322280228.db2.gz HXZSNVPVGPSFNS-BHYGNILZSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570707049 322280229 /nfs/dbraw/zinc/28/02/29/322280229.db2.gz HXZSNVPVGPSFNS-BHYGNILZSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000571058434 322288647 /nfs/dbraw/zinc/28/86/47/322288647.db2.gz WAZBZLMTWTWVCD-XHDPSFHLSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000571058434 322288649 /nfs/dbraw/zinc/28/86/49/322288649.db2.gz WAZBZLMTWTWVCD-XHDPSFHLSA-N 2 2 290.436 3.040 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000571220901 322293416 /nfs/dbraw/zinc/29/34/16/322293416.db2.gz KMSSOFKEELKHEX-XHSDSOJGSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000571220901 322293418 /nfs/dbraw/zinc/29/34/18/322293418.db2.gz KMSSOFKEELKHEX-XHSDSOJGSA-N 2 2 264.457 3.418 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)c[nH+]1 ZINC000572257994 322328176 /nfs/dbraw/zinc/32/81/76/322328176.db2.gz GOSKBFPVWKAFSP-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP CCc1ccc([C@H](C[NH2+]Cc2ccncc2C)[NH+](C)C)cc1 ZINC000572470637 322338899 /nfs/dbraw/zinc/33/88/99/322338899.db2.gz MNIJACQCSUTPIL-IBGZPJMESA-N 2 2 297.446 3.345 20 0 CGADLP Cc1[nH+]cn(-c2ccc(NCc3c[nH+]c(C)n3C)cc2)c1C ZINC000573103849 322370578 /nfs/dbraw/zinc/37/05/78/322370578.db2.gz DWVRMZLEBAIGCQ-UHFFFAOYSA-N 2 2 295.390 3.143 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)CSc2ccc(C)cc2)n1C ZINC000573221039 322376989 /nfs/dbraw/zinc/37/69/89/322376989.db2.gz XQHDLPUDDWDEKP-CYBMUJFWSA-N 2 2 289.448 3.307 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000573391600 322385979 /nfs/dbraw/zinc/38/59/79/322385979.db2.gz QXIOWOLUMCWDEG-OWCLPIDISA-N 2 2 252.446 3.131 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000574619945 322449104 /nfs/dbraw/zinc/44/91/04/322449104.db2.gz RQHDJLQXRCGEQR-GFCCVEGCSA-N 2 2 281.469 3.278 20 0 CGADLP C(C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)CC1CCCCC1 ZINC000395256455 329285225 /nfs/dbraw/zinc/28/52/25/329285225.db2.gz HGVZOXUXSJWVEO-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[NH2+][C@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000395256455 329285227 /nfs/dbraw/zinc/28/52/27/329285227.db2.gz HGVZOXUXSJWVEO-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n1C ZINC000584540892 329519588 /nfs/dbraw/zinc/51/95/88/329519588.db2.gz ONPOYXPONFOFCU-WMZOPIPTSA-N 2 2 283.419 3.230 20 0 CGADLP Cc1ccc(C)c([C@H]([NH2+][C@@H](C)C[NH3+])c2ccccc2)c1 ZINC000423372042 533713755 /nfs/dbraw/zinc/71/37/55/533713755.db2.gz QWJKOFDZYKZTER-MAUKXSAKSA-N 2 2 268.404 3.330 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000576314065 335188302 /nfs/dbraw/zinc/18/83/02/335188302.db2.gz CITZNDZRGSFHGB-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000576314065 335188304 /nfs/dbraw/zinc/18/83/04/335188304.db2.gz CITZNDZRGSFHGB-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000576820265 335251477 /nfs/dbraw/zinc/25/14/77/335251477.db2.gz QEOHAJMNVKXBII-ZDUSSCGKSA-N 2 2 275.421 3.125 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000576820265 335251479 /nfs/dbraw/zinc/25/14/79/335251479.db2.gz QEOHAJMNVKXBII-ZDUSSCGKSA-N 2 2 275.421 3.125 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCSc3ccc(F)cc32)n1C ZINC000580572040 335285723 /nfs/dbraw/zinc/28/57/23/335285723.db2.gz MDNBGHCWCZFKMI-AWEZNQCLSA-N 2 2 291.395 3.194 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000577204805 335322079 /nfs/dbraw/zinc/32/20/79/335322079.db2.gz KLWUUBPQHJFSGS-AWEZNQCLSA-N 2 2 281.469 3.264 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H](C)C2CCCCC2)n1C ZINC000577748424 335396794 /nfs/dbraw/zinc/39/67/94/335396794.db2.gz XZNAADFSEXOSOF-STQMWFEESA-N 2 2 263.429 3.423 20 0 CGADLP CC(C)COC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000184195838 335920625 /nfs/dbraw/zinc/92/06/25/335920625.db2.gz DRUNSVDIMVATJO-INIZCTEOSA-N 2 2 294.439 3.069 20 0 CGADLP Cc1csc([C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC000581278423 336035745 /nfs/dbraw/zinc/03/57/45/336035745.db2.gz YUBSQVWZIIVLEE-GJZGRUSLSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1csc([C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278423 336035746 /nfs/dbraw/zinc/03/57/46/336035746.db2.gz YUBSQVWZIIVLEE-GJZGRUSLSA-N 2 2 293.480 3.367 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000381725613 336071799 /nfs/dbraw/zinc/07/17/99/336071799.db2.gz KHHLLTTUSALPEI-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000381725613 336071801 /nfs/dbraw/zinc/07/18/01/336071801.db2.gz KHHLLTTUSALPEI-XYVMCAHJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000382081783 336081406 /nfs/dbraw/zinc/08/14/06/336081406.db2.gz WDTDDWXLAYEWRL-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000382081783 336081407 /nfs/dbraw/zinc/08/14/07/336081407.db2.gz WDTDDWXLAYEWRL-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP c1cn(CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000581583200 336106271 /nfs/dbraw/zinc/10/62/71/336106271.db2.gz WAKNBZFDUFSCGR-QGZVFWFLSA-N 2 2 284.407 3.189 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000384504782 336125094 /nfs/dbraw/zinc/12/50/94/336125094.db2.gz QQWVXSAQQRQWCR-UHFFFAOYSA-N 2 2 278.415 3.488 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000386182654 336167461 /nfs/dbraw/zinc/16/74/61/336167461.db2.gz YJBCJPDOQHWHKL-SMDDNHRTSA-N 2 2 286.341 3.326 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000581951592 336178145 /nfs/dbraw/zinc/17/81/45/336178145.db2.gz HEQJDRHFYLHUTA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000581951592 336178146 /nfs/dbraw/zinc/17/81/46/336178146.db2.gz HEQJDRHFYLHUTA-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CCCc1[nH+]ccn1C/C=C\Cn1cc[nH+]c1CCC ZINC000581954646 336179034 /nfs/dbraw/zinc/17/90/34/336179034.db2.gz GCZSSNKMPMXTCI-WAYWQWQTSA-N 2 2 272.396 3.241 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000423415021 533775763 /nfs/dbraw/zinc/77/57/63/533775763.db2.gz DBRPPSSXMWYBGF-LIRRHRJNSA-N 2 2 296.414 3.233 20 0 CGADLP COc1cccc2c(N3CCC(C[NH+](C)C)CC3)cc[nH+]c12 ZINC000436197313 533839615 /nfs/dbraw/zinc/83/96/15/533839615.db2.gz XJOPCISIEWNBEU-UHFFFAOYSA-N 2 2 299.418 3.021 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc2ccccc21 ZINC000449103634 533883839 /nfs/dbraw/zinc/88/38/39/533883839.db2.gz RFRWFGDAHIHPCY-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc2ccccc21 ZINC000449103634 533883848 /nfs/dbraw/zinc/88/38/48/533883848.db2.gz RFRWFGDAHIHPCY-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423320161 533897084 /nfs/dbraw/zinc/89/70/84/533897084.db2.gz MBSVJBIAQWXQMC-FZMZJTMJSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1C ZINC000414077121 533914381 /nfs/dbraw/zinc/91/43/81/533914381.db2.gz QVNZSBYHLHBQQN-MBNYWOFBSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CCOCC1 ZINC000423393498 533994618 /nfs/dbraw/zinc/99/46/18/533994618.db2.gz MJEUKKIRRHZXSG-IFXJQAMLSA-N 2 2 298.430 3.244 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CCC1)CCC2 ZINC000437108513 534450606 /nfs/dbraw/zinc/45/06/06/534450606.db2.gz SUMCVJROYBPBMD-QGZVFWFLSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc2c1 ZINC000423330341 534472770 /nfs/dbraw/zinc/47/27/70/534472770.db2.gz UENIAHVTSMTQHR-RISCZKNCSA-N 2 2 258.365 3.129 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261930602 520600502 /nfs/dbraw/zinc/60/05/02/520600502.db2.gz LMYFTCCGXONIOF-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261930602 520600510 /nfs/dbraw/zinc/60/05/10/520600510.db2.gz LMYFTCCGXONIOF-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cs1 ZINC000359697002 534542185 /nfs/dbraw/zinc/54/21/85/534542185.db2.gz SGMRIPUQCAEEFP-GFCCVEGCSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC000358336053 534544435 /nfs/dbraw/zinc/54/44/35/534544435.db2.gz BRNBFGSAGXLSBI-UKRRQHHQSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000358336053 534544440 /nfs/dbraw/zinc/54/44/40/534544440.db2.gz BRNBFGSAGXLSBI-UKRRQHHQSA-N 2 2 295.496 3.470 20 0 CGADLP [NH3+]C1(C[NH2+]C(c2ccccc2)c2ccccc2)CCC1 ZINC000423318850 534547483 /nfs/dbraw/zinc/54/74/83/534547483.db2.gz DWDPBGIBSOUPPA-UHFFFAOYSA-N 2 2 266.388 3.247 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC000358336051 534599678 /nfs/dbraw/zinc/59/96/78/534599678.db2.gz BRNBFGSAGXLSBI-DZGCQCFKSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC000358336051 534599682 /nfs/dbraw/zinc/59/96/82/534599682.db2.gz BRNBFGSAGXLSBI-DZGCQCFKSA-N 2 2 295.496 3.470 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)ccc1F ZINC000337231424 522748876 /nfs/dbraw/zinc/74/88/76/522748876.db2.gz UMEIIOXMDHNNHX-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)ccc1F ZINC000337231424 522748883 /nfs/dbraw/zinc/74/88/83/522748883.db2.gz UMEIIOXMDHNNHX-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049591426 523817708 /nfs/dbraw/zinc/81/77/08/523817708.db2.gz ZSMMUVBKHTTZLJ-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049591426 523817714 /nfs/dbraw/zinc/81/77/14/523817714.db2.gz ZSMMUVBKHTTZLJ-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)n1-c1ccccc1 ZINC000424191176 534744483 /nfs/dbraw/zinc/74/44/83/534744483.db2.gz HAGCRYGIXZGZJN-ZWKOTPCHSA-N 2 2 281.403 3.459 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000049554220 524475940 /nfs/dbraw/zinc/47/59/40/524475940.db2.gz ICPYIJQOCHFXRE-QWRGUYRKSA-N 2 2 272.795 3.470 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1(C)CC1 ZINC000156216396 525346778 /nfs/dbraw/zinc/34/67/78/525346778.db2.gz AYBRKFWFNCTKHN-LBPRGKRZSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000061626918 525418917 /nfs/dbraw/zinc/41/89/17/525418917.db2.gz BBDRKHNGCVBFGV-ZYHUDNBSSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000061626918 525418926 /nfs/dbraw/zinc/41/89/26/525418926.db2.gz BBDRKHNGCVBFGV-ZYHUDNBSSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccco1 ZINC000183950789 525421715 /nfs/dbraw/zinc/42/17/15/525421715.db2.gz VCFBUETUGIULSQ-CYBMUJFWSA-N 2 2 250.386 3.052 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946850 525584876 /nfs/dbraw/zinc/58/48/76/525584876.db2.gz JZPKAMSTYUYVRM-QLFBSQMISA-N 2 2 287.451 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093946850 525584882 /nfs/dbraw/zinc/58/48/82/525584882.db2.gz JZPKAMSTYUYVRM-QLFBSQMISA-N 2 2 287.451 3.028 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163782879 526370409 /nfs/dbraw/zinc/37/04/09/526370409.db2.gz JUDBSISVIWLWOL-MRXNPFEDSA-N 2 2 285.366 3.300 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CS1 ZINC000368488790 526680495 /nfs/dbraw/zinc/68/04/95/526680495.db2.gz TYORKAXFIHQZRD-JSGCOSHPSA-N 2 2 293.480 3.229 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)c2ccccc21 ZINC000157450171 527376944 /nfs/dbraw/zinc/37/69/44/527376944.db2.gz YKLDGUHJHGPHCQ-CVEARBPZSA-N 2 2 274.314 3.199 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C[C@H]1CCCOC1 ZINC000441361242 527480492 /nfs/dbraw/zinc/48/04/92/527480492.db2.gz UXQRCNUFZWMCHC-QGZVFWFLSA-N 2 2 294.483 3.049 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415031362 527793078 /nfs/dbraw/zinc/79/30/78/527793078.db2.gz DVQFLLLYJTUTKD-INIZCTEOSA-N 2 2 270.376 3.177 20 0 CGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000449256668 527830055 /nfs/dbraw/zinc/83/00/55/527830055.db2.gz FFBNGBNNBNGQHT-OWCLPIDISA-N 2 2 275.440 3.392 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000428287876 527837073 /nfs/dbraw/zinc/83/70/73/527837073.db2.gz OQJFCAKZOFNRQD-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000428287876 527837079 /nfs/dbraw/zinc/83/70/79/527837079.db2.gz OQJFCAKZOFNRQD-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000428287876 527837080 /nfs/dbraw/zinc/83/70/80/527837080.db2.gz OQJFCAKZOFNRQD-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000428287876 527837084 /nfs/dbraw/zinc/83/70/84/527837084.db2.gz OQJFCAKZOFNRQD-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1(CC)CC ZINC000437118095 527936213 /nfs/dbraw/zinc/93/62/13/527936213.db2.gz VIYWBUUAZQEWPN-LSDHHAIUSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367635207 528113091 /nfs/dbraw/zinc/11/30/91/528113091.db2.gz KURVXFKIKYFJCJ-MRXNPFEDSA-N 2 2 292.471 3.353 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000363845375 528215049 /nfs/dbraw/zinc/21/50/49/528215049.db2.gz KEAUENXFYAUUAK-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000363845375 528215056 /nfs/dbraw/zinc/21/50/56/528215056.db2.gz KEAUENXFYAUUAK-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427842347 528237289 /nfs/dbraw/zinc/23/72/89/528237289.db2.gz KCTBNUAYNZYPPX-CVEARBPZSA-N 2 2 269.392 3.329 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424142811 528260923 /nfs/dbraw/zinc/26/09/23/528260923.db2.gz FJSHELUTMHTPML-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424142811 528260927 /nfs/dbraw/zinc/26/09/27/528260927.db2.gz FJSHELUTMHTPML-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423243858 528331670 /nfs/dbraw/zinc/33/16/70/528331670.db2.gz KOPBDPXNIOZKMS-NSHDSACASA-N 2 2 288.407 3.304 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000423393027 528422034 /nfs/dbraw/zinc/42/20/34/528422034.db2.gz YAVZXTKZUNDTFR-RISCZKNCSA-N 2 2 284.831 3.387 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423394427 528422631 /nfs/dbraw/zinc/42/26/31/528422631.db2.gz ZQIIWSISXDSYGJ-CABCVRRESA-N 2 2 283.419 3.397 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000423380131 528422657 /nfs/dbraw/zinc/42/26/57/528422657.db2.gz GXYPBUYLJARGOI-IAQYHMDHSA-N 2 2 270.367 3.250 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423378480 528424050 /nfs/dbraw/zinc/42/40/50/528424050.db2.gz LDBZTOBQXMZFGA-ABAIWWIYSA-N 2 2 266.816 3.379 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423383943 528424057 /nfs/dbraw/zinc/42/40/57/528424057.db2.gz PMOANUHKWYREKB-DGCLKSJQSA-N 2 2 290.407 3.398 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423311812 528511921 /nfs/dbraw/zinc/51/19/21/528511921.db2.gz QWSGRBMHLQOODO-NSHDSACASA-N 2 2 285.229 3.099 20 0 CGADLP CCN(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000155866373 528512579 /nfs/dbraw/zinc/51/25/79/528512579.db2.gz NIBSRRVGJLZKPO-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000423306339 528515758 /nfs/dbraw/zinc/51/57/58/528515758.db2.gz DNPATVPSSALXIS-CQSZACIVSA-N 2 2 254.805 3.380 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423268612 528520118 /nfs/dbraw/zinc/52/01/18/528520118.db2.gz UWFVWAJKFGFOGJ-DZGCQCFKSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423278624 528533992 /nfs/dbraw/zinc/53/39/92/528533992.db2.gz RAXFVNBRXSHJSC-JSGCOSHPSA-N 2 2 289.448 3.444 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000423270571 528577316 /nfs/dbraw/zinc/57/73/16/528577316.db2.gz GSIZWNVSYVEBPX-HNNXBMFYSA-N 2 2 292.471 3.427 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423400220 528590866 /nfs/dbraw/zinc/59/08/66/528590866.db2.gz WVTRWHMLOGQRAF-HZPDHXFCSA-N 2 2 275.440 3.147 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422894091 528687921 /nfs/dbraw/zinc/68/79/21/528687921.db2.gz BNRHOEUVLNKDQY-WMLDXEAASA-N 2 2 276.424 3.096 20 0 CGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427104291 528701687 /nfs/dbraw/zinc/70/16/87/528701687.db2.gz MUWFABFKNILIGO-RDJZCZTQSA-N 2 2 288.435 3.049 20 0 CGADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427104291 528701694 /nfs/dbraw/zinc/70/16/94/528701694.db2.gz MUWFABFKNILIGO-RDJZCZTQSA-N 2 2 288.435 3.049 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(OCCC)c1 ZINC000423333364 528721410 /nfs/dbraw/zinc/72/14/10/528721410.db2.gz RMBLUIHPMPAMRF-ZIAGYGMSSA-N 2 2 294.439 3.262 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423297689 528821718 /nfs/dbraw/zinc/82/17/18/528821718.db2.gz LKBKDFSDSOJZQQ-RYUDHWBXSA-N 2 2 286.366 3.456 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423391010 528951630 /nfs/dbraw/zinc/95/16/30/528951630.db2.gz OYGRNAZPBHIUME-JKSUJKDBSA-N 2 2 291.414 3.040 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423286812 528952921 /nfs/dbraw/zinc/95/29/21/528952921.db2.gz IXGKWQNKWYZDSN-SNVBAGLBSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423267376 529072413 /nfs/dbraw/zinc/07/24/13/529072413.db2.gz FLUAISBEVHPJLN-QZTJIDSGSA-N 2 2 286.394 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423542316 529202227 /nfs/dbraw/zinc/20/22/27/529202227.db2.gz ASKLSXCGXQWOIS-UKRRQHHQSA-N 2 2 298.377 3.471 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C)cc1 ZINC000427856223 529203946 /nfs/dbraw/zinc/20/39/46/529203946.db2.gz VNKBDWUVTQVDRR-HZPDHXFCSA-N 2 2 269.392 3.247 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451336507 535502561 /nfs/dbraw/zinc/50/25/61/535502561.db2.gz WJEAXUNOJYLISP-INIZCTEOSA-N 2 2 298.858 3.037 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451336507 535502570 /nfs/dbraw/zinc/50/25/70/535502570.db2.gz WJEAXUNOJYLISP-INIZCTEOSA-N 2 2 298.858 3.037 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494415966 535744016 /nfs/dbraw/zinc/74/40/16/535744016.db2.gz ZKWJEPIDEQSOLG-AWEZNQCLSA-N 2 2 287.432 3.100 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)co1 ZINC000727469480 571749782 /nfs/dbraw/zinc/74/97/82/571749782.db2.gz XHRINKRJJRIFCN-UHFFFAOYSA-N 2 2 262.397 3.024 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nccc4c3CCCC4)C2)[nH]1 ZINC000891724889 618264304 /nfs/dbraw/zinc/26/43/04/618264304.db2.gz JGYJLBVIPHCXNT-OAHLLOKOSA-N 2 2 296.418 3.063 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nccc4c3CCCC4)C2)[nH]1 ZINC000891724889 618264308 /nfs/dbraw/zinc/26/43/08/618264308.db2.gz JGYJLBVIPHCXNT-OAHLLOKOSA-N 2 2 296.418 3.063 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892080305 618521942 /nfs/dbraw/zinc/52/19/42/618521942.db2.gz DSITYDTYJZLGIG-AWEZNQCLSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892080305 618521950 /nfs/dbraw/zinc/52/19/50/618521950.db2.gz DSITYDTYJZLGIG-AWEZNQCLSA-N 2 2 288.439 3.195 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000892448913 618788124 /nfs/dbraw/zinc/78/81/24/618788124.db2.gz GTHLHCZQDFIZTH-AWEZNQCLSA-N 2 2 280.412 3.032 20 0 CGADLP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000892448913 618788126 /nfs/dbraw/zinc/78/81/26/618788126.db2.gz GTHLHCZQDFIZTH-AWEZNQCLSA-N 2 2 280.412 3.032 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000925507512 618998444 /nfs/dbraw/zinc/99/84/44/618998444.db2.gz AAIVMZIJCPFROJ-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000182634462 619038557 /nfs/dbraw/zinc/03/85/57/619038557.db2.gz AVUINQXBAAWBDA-CQSZACIVSA-N 2 2 275.440 3.285 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCSC(C)(C)C)c1ccccc1 ZINC000925583180 619073952 /nfs/dbraw/zinc/07/39/52/619073952.db2.gz JSPDKSSXYZYQCN-OCCSQVGLSA-N 2 2 266.454 3.196 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])s1 ZINC000925647577 619106073 /nfs/dbraw/zinc/10/60/73/619106073.db2.gz DMZPGSWDSCNBHK-OSAQELSMSA-N 2 2 289.448 3.233 20 0 CGADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000925665118 619119317 /nfs/dbraw/zinc/11/93/17/619119317.db2.gz ILMPKYUXLMPTHW-LZQZEXGQSA-N 2 2 298.430 3.015 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000925690545 619138033 /nfs/dbraw/zinc/13/80/33/619138033.db2.gz FOAKYVQFNKPXMP-WQAKAFBOSA-N 2 2 282.790 3.065 20 0 CGADLP c1cc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2s1 ZINC000925714387 619160152 /nfs/dbraw/zinc/16/01/52/619160152.db2.gz YAAOPLDJYMNOOZ-AWEZNQCLSA-N 2 2 272.417 3.276 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc2ccccc2c1 ZINC000925787899 619248446 /nfs/dbraw/zinc/24/84/46/619248446.db2.gz WUJWLQTUSBTSTJ-IIYDPXPESA-N 2 2 254.377 3.098 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000054080304 619253918 /nfs/dbraw/zinc/25/39/18/619253918.db2.gz LIXALOFBXLHLNO-UKRRQHHQSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000237482537 619308210 /nfs/dbraw/zinc/30/82/10/619308210.db2.gz PQYNRQCUUANTHD-AWEZNQCLSA-N 2 2 273.424 3.139 20 0 CGADLP CSc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000893919188 619332361 /nfs/dbraw/zinc/33/23/61/619332361.db2.gz HZVDWVZWMIQGKW-UHFFFAOYSA-N 2 2 282.453 3.306 20 0 CGADLP CSc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)o1 ZINC000893919188 619332365 /nfs/dbraw/zinc/33/23/65/619332365.db2.gz HZVDWVZWMIQGKW-UHFFFAOYSA-N 2 2 282.453 3.306 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4c3NCCC4)C2)[nH]1 ZINC000893966373 619341481 /nfs/dbraw/zinc/34/14/81/619341481.db2.gz PQPVIVKTTFBDOP-MRXNPFEDSA-N 2 2 296.418 3.147 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4c3NCCC4)C2)[nH]1 ZINC000893966373 619341483 /nfs/dbraw/zinc/34/14/83/619341483.db2.gz PQPVIVKTTFBDOP-MRXNPFEDSA-N 2 2 296.418 3.147 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403840 625355412 /nfs/dbraw/zinc/35/54/12/625355412.db2.gz QJJDIFUDIJETTR-RYUDHWBXSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403840 625355417 /nfs/dbraw/zinc/35/54/17/625355417.db2.gz QJJDIFUDIJETTR-RYUDHWBXSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000895379574 619817034 /nfs/dbraw/zinc/81/70/34/619817034.db2.gz MJPZUOJNOXCTLG-CJNGLKHVSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000895379574 619817035 /nfs/dbraw/zinc/81/70/35/619817035.db2.gz MJPZUOJNOXCTLG-CJNGLKHVSA-N 2 2 291.439 3.104 20 0 CGADLP C(C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)CC1CCCCC1 ZINC000897229295 620165889 /nfs/dbraw/zinc/16/58/89/620165889.db2.gz SRJWFVRPLWJSDG-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP C(C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)CC1CCCCC1 ZINC000897229295 620165894 /nfs/dbraw/zinc/16/58/94/620165894.db2.gz SRJWFVRPLWJSDG-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP c1ccc(NCCC[NH2+]C2CC3(C2)CCCC3)[nH+]c1 ZINC000925231776 620253577 /nfs/dbraw/zinc/25/35/77/620253577.db2.gz ITUIRGBRPJXWKU-UHFFFAOYSA-N 2 2 259.397 3.196 20 0 CGADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000897480066 620347006 /nfs/dbraw/zinc/34/70/06/620347006.db2.gz POUIZAQPNJKDMT-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000897480240 620347397 /nfs/dbraw/zinc/34/73/97/620347397.db2.gz UKYUSIYJKWADHW-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897480240 620347399 /nfs/dbraw/zinc/34/73/99/620347399.db2.gz UKYUSIYJKWADHW-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[NH+]1CCCCC1 ZINC000800968590 620361644 /nfs/dbraw/zinc/36/16/44/620361644.db2.gz TXJSLUOGGYWWKC-OWCLPIDISA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H](C)c1ccccc1 ZINC000902436604 621318310 /nfs/dbraw/zinc/31/83/10/621318310.db2.gz CJTZDROZIDWFSH-TWKYDXJASA-N 2 2 280.415 3.393 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000902473122 621324360 /nfs/dbraw/zinc/32/43/60/621324360.db2.gz RKQOLJLUEUYVQC-UQOMUDLDSA-N 2 2 296.361 3.222 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902472509 621324644 /nfs/dbraw/zinc/32/46/44/621324644.db2.gz BVXZAOGRHGCQDX-MXASKKJJSA-N 2 2 274.408 3.019 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482932 621352451 /nfs/dbraw/zinc/35/24/51/621352451.db2.gz NXGDOTYAZDHFDH-RHSMWYFYSA-N 2 2 273.424 3.055 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000902486290 621354505 /nfs/dbraw/zinc/35/45/05/621354505.db2.gz CZGRZMNJLPHQGG-RDJZCZTQSA-N 2 2 298.434 3.055 20 0 CGADLP CCN(CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902786196 621434607 /nfs/dbraw/zinc/43/46/07/621434607.db2.gz LTIGDWNGEVWIHL-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895176 621489987 /nfs/dbraw/zinc/48/99/87/621489987.db2.gz VVJINSLHZZZJGP-QGPMSJSTSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+]CCCOC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981536 621511105 /nfs/dbraw/zinc/51/11/05/621511105.db2.gz APTPTEQCVWKJCX-GFCCVEGCSA-N 2 2 295.333 3.152 20 0 CGADLP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000903012980 621534421 /nfs/dbraw/zinc/53/44/21/621534421.db2.gz WIWKEFLYHPHAAP-IYOUNJFTSA-N 2 2 299.418 3.336 20 0 CGADLP CCC[NH+]1CCC(Nc2cccc(C3CC3)[nH+]2)CC1 ZINC000903267272 621653531 /nfs/dbraw/zinc/65/35/31/621653531.db2.gz CMWJGNGNBQCQPG-UHFFFAOYSA-N 2 2 259.397 3.245 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H](C)C1 ZINC000903267174 621654044 /nfs/dbraw/zinc/65/40/44/621654044.db2.gz BDJUTMAXKCDYGZ-OCCSQVGLSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@H](C)C1 ZINC000903267174 621654046 /nfs/dbraw/zinc/65/40/46/621654046.db2.gz BDJUTMAXKCDYGZ-OCCSQVGLSA-N 2 2 259.397 3.101 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000903340470 621696025 /nfs/dbraw/zinc/69/60/25/621696025.db2.gz IAMDUKLRJPWLIU-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000903340470 621696034 /nfs/dbraw/zinc/69/60/34/621696034.db2.gz IAMDUKLRJPWLIU-ILXRZTDVSA-N 2 2 286.410 3.418 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC000903441004 621750418 /nfs/dbraw/zinc/75/04/18/621750418.db2.gz GHMMECSHBJWYAD-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903794628 621805642 /nfs/dbraw/zinc/80/56/42/621805642.db2.gz AYZJLCBSCAUOCT-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903794628 621805644 /nfs/dbraw/zinc/80/56/44/621805644.db2.gz AYZJLCBSCAUOCT-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ncc(C3CC3)o2)CCC1 ZINC000903811001 621813418 /nfs/dbraw/zinc/81/34/18/621813418.db2.gz IRRQJWFDIYEPLK-OAHLLOKOSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ncc(C3CC3)o2)CCC1 ZINC000903811001 621813422 /nfs/dbraw/zinc/81/34/22/621813422.db2.gz IRRQJWFDIYEPLK-OAHLLOKOSA-N 2 2 289.423 3.036 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856612 621821809 /nfs/dbraw/zinc/82/18/09/621821809.db2.gz AJMOAGZNESSCKA-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856612 621821812 /nfs/dbraw/zinc/82/18/12/621821812.db2.gz AJMOAGZNESSCKA-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CCc1ccc(C[N@H+](C[C@@H]([NH3+])CC(F)F)C2CC2)cc1 ZINC000903879700 621825470 /nfs/dbraw/zinc/82/54/70/621825470.db2.gz HPOJCWVXBWKKPU-AWEZNQCLSA-N 2 2 282.378 3.196 20 0 CGADLP CCc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)C2CC2)cc1 ZINC000903879700 621825471 /nfs/dbraw/zinc/82/54/71/621825471.db2.gz HPOJCWVXBWKKPU-AWEZNQCLSA-N 2 2 282.378 3.196 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903893124 621827854 /nfs/dbraw/zinc/82/78/54/621827854.db2.gz QQYMAFRGIGTFHU-WCQYABFASA-N 2 2 288.769 3.112 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903893124 621827856 /nfs/dbraw/zinc/82/78/56/621827856.db2.gz QQYMAFRGIGTFHU-WCQYABFASA-N 2 2 288.769 3.112 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)c1 ZINC000903904035 621831311 /nfs/dbraw/zinc/83/13/11/621831311.db2.gz ZNEUQPWGFCOBKY-UKRRQHHQSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)c1 ZINC000903904035 621831314 /nfs/dbraw/zinc/83/13/14/621831314.db2.gz ZNEUQPWGFCOBKY-UKRRQHHQSA-N 2 2 282.378 3.075 20 0 CGADLP C[C@H](C[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331206 621908532 /nfs/dbraw/zinc/90/85/32/621908532.db2.gz FYGDQEINJLSIFY-OLZOCXBDSA-N 2 2 283.485 3.332 20 0 CGADLP C[C@H](C[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331206 621908533 /nfs/dbraw/zinc/90/85/33/621908533.db2.gz FYGDQEINJLSIFY-OLZOCXBDSA-N 2 2 283.485 3.332 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904357935 621912677 /nfs/dbraw/zinc/91/26/77/621912677.db2.gz FCPMLBOTKPZDNN-GFCCVEGCSA-N 2 2 274.330 3.226 20 0 CGADLP C[NH2+]CC1(c2ccc(-c3cc[nH+]c(N(C)C)c3)cc2)CC1 ZINC000904851056 622008673 /nfs/dbraw/zinc/00/86/73/622008673.db2.gz OSRIJAYWVRFLOL-UHFFFAOYSA-N 2 2 281.403 3.066 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000168158429 622996189 /nfs/dbraw/zinc/99/61/89/622996189.db2.gz DBNUQNWTOLANNG-LBPRGKRZSA-N 2 2 279.428 3.062 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000920956702 624557225 /nfs/dbraw/zinc/55/72/25/624557225.db2.gz OVGBYEVFFDLFCX-LBPRGKRZSA-N 2 2 296.201 3.156 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000921816591 625888060 /nfs/dbraw/zinc/88/80/60/625888060.db2.gz GLSOQTUSLLGOSD-KGLIPLIRSA-N 2 2 281.831 3.006 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000840741593 626092191 /nfs/dbraw/zinc/09/21/91/626092191.db2.gz ZPEYCQKWENOQEK-OLMNPRSZSA-N 2 2 287.451 3.285 20 0 CGADLP CC[C@H]1C[N@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000923346496 626148551 /nfs/dbraw/zinc/14/85/51/626148551.db2.gz ZGCSZVNSYLZBJU-QWHCGFSZSA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000923346496 626148554 /nfs/dbraw/zinc/14/85/54/626148554.db2.gz ZGCSZVNSYLZBJU-QWHCGFSZSA-N 2 2 295.496 3.308 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000753636510 626460439 /nfs/dbraw/zinc/46/04/39/626460439.db2.gz YCUWSINWWXHOKU-HUUCEWRRSA-N 2 2 276.424 3.057 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000753636510 626460440 /nfs/dbraw/zinc/46/04/40/626460440.db2.gz YCUWSINWWXHOKU-HUUCEWRRSA-N 2 2 276.424 3.057 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000761431574 627041121 /nfs/dbraw/zinc/04/11/21/627041121.db2.gz GJNUGSUCCZZISM-RISCZKNCSA-N 2 2 292.452 3.414 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000764593442 627213901 /nfs/dbraw/zinc/21/39/01/627213901.db2.gz DHRHYPQOZKKRKF-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000764593442 627213904 /nfs/dbraw/zinc/21/39/04/627213904.db2.gz DHRHYPQOZKKRKF-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381091 627324875 /nfs/dbraw/zinc/32/48/75/627324875.db2.gz GVNMPPXYXZWCNA-WMLDXEAASA-N 2 2 288.435 3.004 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381091 627324879 /nfs/dbraw/zinc/32/48/79/627324879.db2.gz GVNMPPXYXZWCNA-WMLDXEAASA-N 2 2 288.435 3.004 20 0 CGADLP FC(F)C1CC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000768689628 627493329 /nfs/dbraw/zinc/49/33/29/627493329.db2.gz KPAQWJLRRUNTHR-UYSNPLJNSA-N 2 2 294.389 3.284 20 0 CGADLP FC(F)C1CC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000768689628 627493332 /nfs/dbraw/zinc/49/33/32/627493332.db2.gz KPAQWJLRRUNTHR-UYSNPLJNSA-N 2 2 294.389 3.284 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000769868506 627584817 /nfs/dbraw/zinc/58/48/17/627584817.db2.gz QZCWYFMSRWEIAP-KBPBESRZSA-N 2 2 293.455 3.461 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000769868506 627584819 /nfs/dbraw/zinc/58/48/19/627584819.db2.gz QZCWYFMSRWEIAP-KBPBESRZSA-N 2 2 293.455 3.461 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000774443395 627991445 /nfs/dbraw/zinc/99/14/45/627991445.db2.gz PVEMUDVPILOONX-WMLDXEAASA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000774443395 627991451 /nfs/dbraw/zinc/99/14/51/627991451.db2.gz PVEMUDVPILOONX-WMLDXEAASA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(-c2cccnc2)cc1 ZINC000775537256 628105031 /nfs/dbraw/zinc/10/50/31/628105031.db2.gz HLJVZSYAJZXYJX-MRXNPFEDSA-N 2 2 295.430 3.495 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000777464677 628274250 /nfs/dbraw/zinc/27/42/50/628274250.db2.gz ZTYRKLQOZYUDOD-IUODEOHRSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000777464677 628274252 /nfs/dbraw/zinc/27/42/52/628274252.db2.gz ZTYRKLQOZYUDOD-IUODEOHRSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000777464677 628274254 /nfs/dbraw/zinc/27/42/54/628274254.db2.gz ZTYRKLQOZYUDOD-IUODEOHRSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000777464677 628274258 /nfs/dbraw/zinc/27/42/58/628274258.db2.gz ZTYRKLQOZYUDOD-IUODEOHRSA-N 2 2 296.842 3.121 20 0 CGADLP Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000784256369 628799539 /nfs/dbraw/zinc/79/95/39/628799539.db2.gz YGBYXBXFCBTRMU-LBPRGKRZSA-N 2 2 276.428 3.078 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785483909 628866081 /nfs/dbraw/zinc/86/60/81/628866081.db2.gz AHOXFHWEIXRBEC-PBHICJAKSA-N 2 2 287.451 3.285 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000862295222 629341645 /nfs/dbraw/zinc/34/16/45/629341645.db2.gz AGNYEYVXVBZQHC-HZPDHXFCSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000862295222 629341649 /nfs/dbraw/zinc/34/16/49/629341649.db2.gz AGNYEYVXVBZQHC-HZPDHXFCSA-N 2 2 260.425 3.172 20 0 CGADLP C/C=C/C[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550728 629400542 /nfs/dbraw/zinc/40/05/42/629400542.db2.gz OCFHBDHSYIENGM-ISZGNANSSA-N 2 2 293.480 3.383 20 0 CGADLP C/C=C/C[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550728 629400546 /nfs/dbraw/zinc/40/05/46/629400546.db2.gz OCFHBDHSYIENGM-ISZGNANSSA-N 2 2 293.480 3.383 20 0 CGADLP Fc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000793288055 629440046 /nfs/dbraw/zinc/44/00/46/629440046.db2.gz BXNXRGRDEYGNTC-UHFFFAOYSA-N 2 2 291.414 3.107 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(C)c1OC(F)F ZINC000863483482 629586957 /nfs/dbraw/zinc/58/69/57/629586957.db2.gz BSAITFAQUAYOAS-GXTWGEPZSA-N 2 2 298.377 3.135 20 0 CGADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863541658 629601633 /nfs/dbraw/zinc/60/16/33/629601633.db2.gz LHAVNYVVOKIXGH-WFASDCNBSA-N 2 2 262.372 3.069 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000796717654 629819434 /nfs/dbraw/zinc/81/94/34/629819434.db2.gz QKJUFPOOSNIRPG-SJORKVTESA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000796785795 629833546 /nfs/dbraw/zinc/83/35/46/629833546.db2.gz YYLDCDQBUJDNOQ-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000796785795 629833550 /nfs/dbraw/zinc/83/35/50/629833550.db2.gz YYLDCDQBUJDNOQ-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000120472447 630040876 /nfs/dbraw/zinc/04/08/76/630040876.db2.gz FSJGFEBFZGVJEA-UHFFFAOYSA-N 2 2 297.333 3.007 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+](Cc3ncc(Cl)s3)C2)CC1 ZINC000798957073 630128080 /nfs/dbraw/zinc/12/80/80/630128080.db2.gz LNYCRCNGMMSZQF-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3ncc(Cl)s3)C2)CC1 ZINC000798957073 630128083 /nfs/dbraw/zinc/12/80/83/630128083.db2.gz LNYCRCNGMMSZQF-UHFFFAOYSA-N 2 2 299.871 3.104 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+]1CCCCC1 ZINC000800968011 630314169 /nfs/dbraw/zinc/31/41/69/630314169.db2.gz DAJKXLZYWKXLGO-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+]1CCCCC1 ZINC000800968010 630314253 /nfs/dbraw/zinc/31/42/53/630314253.db2.gz DAJKXLZYWKXLGO-BMFZPTHFSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800968307 630314271 /nfs/dbraw/zinc/31/42/71/630314271.db2.gz JNNDSPSRSIVPOM-JYJNAYRXSA-N 2 2 275.440 3.466 20 0 CGADLP CCC[C@@H](C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000800977399 630316560 /nfs/dbraw/zinc/31/65/60/630316560.db2.gz QOZVTIYWWCAISU-CQSZACIVSA-N 2 2 261.413 3.394 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809633572 630768747 /nfs/dbraw/zinc/76/87/47/630768747.db2.gz HITUXHRMZODUHA-MKQDKFQKSA-N 2 2 294.389 3.285 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809633572 630768754 /nfs/dbraw/zinc/76/87/54/630768754.db2.gz HITUXHRMZODUHA-MKQDKFQKSA-N 2 2 294.389 3.285 20 0 CGADLP FC(F)Sc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817865538 632228220 /nfs/dbraw/zinc/22/82/20/632228220.db2.gz KQWOOJWUSQOFBN-UHFFFAOYSA-N 2 2 298.402 3.329 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000817954011 632249137 /nfs/dbraw/zinc/24/91/37/632249137.db2.gz VABNWDFFTXMWJK-AAEUAGOBSA-N 2 2 282.815 3.060 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000822676015 633003484 /nfs/dbraw/zinc/00/34/84/633003484.db2.gz PEPMAZGBEIXRBK-NSHDSACASA-N 2 2 288.222 3.104 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000822750079 633015211 /nfs/dbraw/zinc/01/52/11/633015211.db2.gz HKHGJWCIWZQUHM-QWRGUYRKSA-N 2 2 288.222 3.173 20 0 CGADLP Cc1nc(NC[C@@H]2c3ccccc3C[N@H+]2C)c(C)c(C)[nH+]1 ZINC000866194893 633025501 /nfs/dbraw/zinc/02/55/01/633025501.db2.gz KXQWHUSWSAXTMC-MRXNPFEDSA-N 2 2 282.391 3.000 20 0 CGADLP Cc1nc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c(C)c(C)[nH+]1 ZINC000866194893 633025504 /nfs/dbraw/zinc/02/55/04/633025504.db2.gz KXQWHUSWSAXTMC-MRXNPFEDSA-N 2 2 282.391 3.000 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000866240024 633040180 /nfs/dbraw/zinc/04/01/80/633040180.db2.gz ZTYHECRJOXLMLI-MRXNPFEDSA-N 2 2 271.408 3.193 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361286 633101152 /nfs/dbraw/zinc/10/11/52/633101152.db2.gz MFEOIMYCNMNWDM-NHYWBVRUSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000823724390 633145255 /nfs/dbraw/zinc/14/52/55/633145255.db2.gz YDXXDKQZLMZLLO-QAPCUYQASA-N 2 2 283.419 3.056 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@@H+]1C ZINC000866574180 633200466 /nfs/dbraw/zinc/20/04/66/633200466.db2.gz QGOWJOVRGNTBII-OLZOCXBDSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574180 633200468 /nfs/dbraw/zinc/20/04/68/633200468.db2.gz QGOWJOVRGNTBII-OLZOCXBDSA-N 2 2 264.413 3.149 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)ccc2c1 ZINC000866722604 633236970 /nfs/dbraw/zinc/23/69/70/633236970.db2.gz AFEJROFQINJCOK-RBUKOAKNSA-N 2 2 280.415 3.209 20 0 CGADLP c1ccc2cc(CC[N@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)ccc2c1 ZINC000866722604 633236974 /nfs/dbraw/zinc/23/69/74/633236974.db2.gz AFEJROFQINJCOK-RBUKOAKNSA-N 2 2 280.415 3.209 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000872029973 633949456 /nfs/dbraw/zinc/94/94/56/633949456.db2.gz WTXNJPATPVKMCI-DLBZAZTESA-N 2 2 294.483 3.188 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872088974 634014265 /nfs/dbraw/zinc/01/42/65/634014265.db2.gz SBSDCIUDQGXMMB-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872088974 634014268 /nfs/dbraw/zinc/01/42/68/634014268.db2.gz SBSDCIUDQGXMMB-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](c1ccccn1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102746 634023236 /nfs/dbraw/zinc/02/32/36/634023236.db2.gz STQLBCFHQZSMBE-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000846217399 636161339 /nfs/dbraw/zinc/16/13/39/636161339.db2.gz AMMJWOIKVMVXTE-MRXNPFEDSA-N 2 2 296.842 3.232 20 0 CGADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000846217399 636161340 /nfs/dbraw/zinc/16/13/40/636161340.db2.gz AMMJWOIKVMVXTE-MRXNPFEDSA-N 2 2 296.842 3.232 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)[C@H]1CC[NH3+] ZINC000872144798 634064579 /nfs/dbraw/zinc/06/45/79/634064579.db2.gz IVEPAPRRNNOXJS-MFKMUULPSA-N 2 2 290.329 3.248 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)[C@H]1CC[NH3+] ZINC000872144798 634064583 /nfs/dbraw/zinc/06/45/83/634064583.db2.gz IVEPAPRRNNOXJS-MFKMUULPSA-N 2 2 290.329 3.248 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCc2ccccc2CC1 ZINC000834606412 634197069 /nfs/dbraw/zinc/19/70/69/634197069.db2.gz HQNMQMANRIVZMN-HNNXBMFYSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCc2ccccc2CC1 ZINC000834606412 634197070 /nfs/dbraw/zinc/19/70/70/634197070.db2.gz HQNMQMANRIVZMN-HNNXBMFYSA-N 2 2 272.436 3.008 20 0 CGADLP c1cncc(-c2cccc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)c2)c1 ZINC000873229631 634293404 /nfs/dbraw/zinc/29/34/04/634293404.db2.gz CVFJCIAVHCQZMG-RTBURBONSA-N 2 2 293.414 3.123 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000876956474 634937411 /nfs/dbraw/zinc/93/74/11/634937411.db2.gz LGTYHXUBSJWHDE-HOTGVXAUSA-N 2 2 293.455 3.093 20 0 CGADLP CCCCCC[N@H+](C)Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000842586304 635412973 /nfs/dbraw/zinc/41/29/73/635412973.db2.gz PTPVASXPYGWKDP-CYBMUJFWSA-N 2 2 282.432 3.128 20 0 CGADLP CCCCCC[N@@H+](C)Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000842586304 635412980 /nfs/dbraw/zinc/41/29/80/635412980.db2.gz PTPVASXPYGWKDP-CYBMUJFWSA-N 2 2 282.432 3.128 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878318954 635460070 /nfs/dbraw/zinc/46/00/70/635460070.db2.gz FUZUHPQHDGYFJT-ROUUACIJSA-N 2 2 299.418 3.125 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878318954 635460076 /nfs/dbraw/zinc/46/00/76/635460076.db2.gz FUZUHPQHDGYFJT-ROUUACIJSA-N 2 2 299.418 3.125 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000842846497 635495642 /nfs/dbraw/zinc/49/56/42/635495642.db2.gz NHKVBXJCJKIEDH-RDJZCZTQSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000842846497 635495644 /nfs/dbraw/zinc/49/56/44/635495644.db2.gz NHKVBXJCJKIEDH-RDJZCZTQSA-N 2 2 275.440 3.243 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Cl)cs1 ZINC000843052654 635549434 /nfs/dbraw/zinc/54/94/34/635549434.db2.gz CGXYGAZLSZMJRF-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cs1 ZINC000843052654 635549440 /nfs/dbraw/zinc/54/94/40/635549440.db2.gz CGXYGAZLSZMJRF-YOGCLGLASA-N 2 2 270.829 3.246 20 0 CGADLP c1cn(C[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)c[nH+]1 ZINC000880569299 636022753 /nfs/dbraw/zinc/02/27/53/636022753.db2.gz AYTAQBMYSBLPQX-RANZSIQMSA-N 2 2 281.403 3.260 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000883162068 636561249 /nfs/dbraw/zinc/56/12/49/636561249.db2.gz JDCZFPNEMXNYBI-LSDHHAIUSA-N 2 2 293.842 3.029 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000883162068 636561257 /nfs/dbraw/zinc/56/12/57/636561257.db2.gz JDCZFPNEMXNYBI-LSDHHAIUSA-N 2 2 293.842 3.029 20 0 CGADLP c1c(CC[NH2+][C@H]2CCCC3(CC3)C2)[nH+]c2n1CCCC2 ZINC000883171790 636565149 /nfs/dbraw/zinc/56/51/49/636565149.db2.gz IWLUSDHLORZLNE-AWEZNQCLSA-N 2 2 273.424 3.074 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)nc1 ZINC000848568204 636610685 /nfs/dbraw/zinc/61/06/85/636610685.db2.gz BDDIACBBIRVTFJ-QEJZJMRPSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)nc1 ZINC000848568204 636610686 /nfs/dbraw/zinc/61/06/86/636610686.db2.gz BDDIACBBIRVTFJ-QEJZJMRPSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386232 636727707 /nfs/dbraw/zinc/72/77/07/636727707.db2.gz BYNDAFBVWWKHJA-HYVNUMGLSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883387531 636729510 /nfs/dbraw/zinc/72/95/10/636729510.db2.gz ZDQDNXNPSLVMID-CJNGLKHVSA-N 2 2 255.365 3.013 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387324 636729681 /nfs/dbraw/zinc/72/96/81/636729681.db2.gz VVNXHVUELZVCOB-CXAGYDPISA-N 2 2 295.390 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421464 637055040 /nfs/dbraw/zinc/05/50/40/637055040.db2.gz VXWUSLBHFJREOI-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850421464 637055044 /nfs/dbraw/zinc/05/50/44/637055044.db2.gz VXWUSLBHFJREOI-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000885951449 637327679 /nfs/dbraw/zinc/32/76/79/637327679.db2.gz ITDMOVKBFQADLN-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP CC1(C)CO[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000886308482 637494121 /nfs/dbraw/zinc/49/41/21/637494121.db2.gz DZOCNMYRSSIWFD-QGZVFWFLSA-N 2 2 299.418 3.167 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707842 638392213 /nfs/dbraw/zinc/39/22/13/638392213.db2.gz VWZSCWMBTXSTIJ-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707842 638392216 /nfs/dbraw/zinc/39/22/16/638392216.db2.gz VWZSCWMBTXSTIJ-GJZGRUSLSA-N 2 2 299.418 3.334 20 0 CGADLP Cc1cccc2c1[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000924734265 638397298 /nfs/dbraw/zinc/39/72/98/638397298.db2.gz ZWKOFBPLZDRZHC-INIZCTEOSA-N 2 2 269.392 3.249 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924848645 638414535 /nfs/dbraw/zinc/41/45/35/638414535.db2.gz YVONVNGRUFHNIS-AWEZNQCLSA-N 2 2 291.439 3.005 20 0 CGADLP COc1ccnc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000925306713 638493950 /nfs/dbraw/zinc/49/39/50/638493950.db2.gz IWGJYQLXXOHRMW-ZDUSSCGKSA-N 2 2 291.439 3.004 20 0 CGADLP CC(C)CSCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925626527 638547726 /nfs/dbraw/zinc/54/77/26/638547726.db2.gz RNGQEIUOXIIQSY-ZFWWWQNUSA-N 2 2 266.454 3.054 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)ccc2o1 ZINC000925705676 638573620 /nfs/dbraw/zinc/57/36/20/638573620.db2.gz JUEASBXSHDIPOU-INIZCTEOSA-N 2 2 270.376 3.197 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925717776 638579015 /nfs/dbraw/zinc/57/90/15/638579015.db2.gz IAVDGQMYZKWRLO-AWEZNQCLSA-N 2 2 298.352 3.166 20 0 CGADLP C[N@@H+](Cc1cnc(-c2ccccc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000929701653 638942876 /nfs/dbraw/zinc/94/28/76/638942876.db2.gz LNHOKDJLMNLNJX-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cnc(-c2ccccc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000929701653 638942878 /nfs/dbraw/zinc/94/28/78/638942878.db2.gz LNHOKDJLMNLNJX-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000929701653 638942879 /nfs/dbraw/zinc/94/28/79/638942879.db2.gz LNHOKDJLMNLNJX-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cnc(-c2ccccc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929701653 638942880 /nfs/dbraw/zinc/94/28/80/638942880.db2.gz LNHOKDJLMNLNJX-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP c1cn(C2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)c[nH+]1 ZINC000929803213 638952829 /nfs/dbraw/zinc/95/28/29/638952829.db2.gz FESAJBQQSISIRL-INIZCTEOSA-N 2 2 289.423 3.012 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c(C)[nH+]1 ZINC000931022825 639099845 /nfs/dbraw/zinc/09/98/45/639099845.db2.gz TUWKZFWHVKMZLI-LSDHHAIUSA-N 2 2 291.439 3.242 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251617961 640830051 /nfs/dbraw/zinc/83/00/51/640830051.db2.gz DTSGBHYLMABGGT-SMDDNHRTSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@H]1[NH3+] ZINC000251617961 640830056 /nfs/dbraw/zinc/83/00/56/640830056.db2.gz DTSGBHYLMABGGT-SMDDNHRTSA-N 2 2 289.810 3.057 20 0 CGADLP c1ccc2cc(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415133380 640858638 /nfs/dbraw/zinc/85/86/38/640858638.db2.gz FBVYJMBRVPIDAI-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2cc(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415133380 640858645 /nfs/dbraw/zinc/85/86/45/640858645.db2.gz FBVYJMBRVPIDAI-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP CSCc1cc[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001156385648 805681247 /nfs/dbraw/zinc/68/12/47/805681247.db2.gz IEUZRMALFDFKGO-ZDUSSCGKSA-N 2 2 279.453 3.088 20 0 CGADLP CSCc1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156385648 805681252 /nfs/dbraw/zinc/68/12/52/805681252.db2.gz IEUZRMALFDFKGO-ZDUSSCGKSA-N 2 2 279.453 3.088 20 0 CGADLP CN(C)c1ccc2[nH]c(C3(C[NH+](C)C)CCCC3)[nH+]c2c1 ZINC001250569428 805699381 /nfs/dbraw/zinc/69/93/81/805699381.db2.gz SCLAOKIOEHWILM-UHFFFAOYSA-N 2 2 286.423 3.002 20 0 CGADLP CSc1nc(NCC2CC[NH+](C(C)C)CC2)cc(C)[nH+]1 ZINC001156494398 805703476 /nfs/dbraw/zinc/70/34/76/805703476.db2.gz DNUHYLIHCRGCOI-UHFFFAOYSA-N 2 2 294.468 3.039 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C(C)C)[nH+]1 ZINC001157802888 805873957 /nfs/dbraw/zinc/87/39/57/805873957.db2.gz BGZDPXPFOFYSSY-KBPBESRZSA-N 2 2 276.428 3.193 20 0 CGADLP Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)s1 ZINC001251847169 805943153 /nfs/dbraw/zinc/94/31/53/805943153.db2.gz ZYYXNKIYERBKSQ-UHFFFAOYSA-N 2 2 298.371 3.198 20 0 CGADLP CCc1ccc[nH+]c1Nc1cccc2c1CC[NH2+]C2 ZINC001159203453 806059429 /nfs/dbraw/zinc/05/94/29/806059429.db2.gz DXFLIVHRJJGNEZ-UHFFFAOYSA-N 2 2 253.349 3.033 20 0 CGADLP Cc1cc[nH+]c2cc(NC=C3CC[NH2+]CC3)ccc12 ZINC001159736770 806165214 /nfs/dbraw/zinc/16/52/14/806165214.db2.gz QVMRWMARJYVNIN-UHFFFAOYSA-N 2 2 253.349 3.222 20 0 CGADLP COc1cc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001159775608 806170278 /nfs/dbraw/zinc/17/02/78/806170278.db2.gz KCHVQJLTKGCQHW-AWEZNQCLSA-N 2 2 283.375 3.219 20 0 CGADLP Cc1ccc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c(C)[nH+]1 ZINC001159982275 806208577 /nfs/dbraw/zinc/20/85/77/806208577.db2.gz QTFPIHCTYZMLIR-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1c[nH+]cc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)c1C ZINC001159980611 806208612 /nfs/dbraw/zinc/20/86/12/806208612.db2.gz AHCKKNQTBLJDEW-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1N ZINC001160265236 806246513 /nfs/dbraw/zinc/24/65/13/806246513.db2.gz MOOBBHVEFCEJFG-OAHLLOKOSA-N 2 2 296.418 3.258 20 0 CGADLP Cc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(C(C)C)[nH+]1 ZINC001160465110 806275070 /nfs/dbraw/zinc/27/50/70/806275070.db2.gz CNZWMFNJGGACKD-QKDCVEJESA-N 2 2 288.439 3.336 20 0 CGADLP Cc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C(C)C)[nH+]1 ZINC001160465110 806275075 /nfs/dbraw/zinc/27/50/75/806275075.db2.gz CNZWMFNJGGACKD-QKDCVEJESA-N 2 2 288.439 3.336 20 0 CGADLP CC(C)Oc1cc[nH+]c(NCC[NH+]2CCC(F)(F)CC2)c1 ZINC001160749077 806299210 /nfs/dbraw/zinc/29/92/10/806299210.db2.gz JUWGJUUGJDRPKF-UHFFFAOYSA-N 2 2 299.365 3.012 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001254212634 806366582 /nfs/dbraw/zinc/36/65/82/806366582.db2.gz AUGHOFPONBLOGL-AWEZNQCLSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001254212634 806366591 /nfs/dbraw/zinc/36/65/91/806366591.db2.gz AUGHOFPONBLOGL-AWEZNQCLSA-N 2 2 272.383 3.028 20 0 CGADLP Cc1[nH+]c(NCc2c[nH+]cn2C(C)C)cc2[nH]ccc21 ZINC001161569196 806394492 /nfs/dbraw/zinc/39/44/92/806394492.db2.gz KRBNNYLKOHQHKV-UHFFFAOYSA-N 2 2 269.352 3.261 20 0 CGADLP Cc1ccccc1CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161624005 806403580 /nfs/dbraw/zinc/40/35/80/806403580.db2.gz QKEXUMIEMXPQRG-GOSISDBHSA-N 2 2 295.430 3.140 20 0 CGADLP Cc1ccccc1CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161624005 806403588 /nfs/dbraw/zinc/40/35/88/806403588.db2.gz QKEXUMIEMXPQRG-GOSISDBHSA-N 2 2 295.430 3.140 20 0 CGADLP c1[nH+]c(CNc2cc(C3CC3)cc[nH+]2)c2ccccn12 ZINC001161684424 806416764 /nfs/dbraw/zinc/41/67/64/806416764.db2.gz UPOPYXVGSFFRSH-UHFFFAOYSA-N 2 2 264.332 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1c(F)cccc1F ZINC001254513885 806433971 /nfs/dbraw/zinc/43/39/71/806433971.db2.gz GWYKGRAKCWPCLU-WFASDCNBSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1c(F)cccc1F ZINC001254513885 806433973 /nfs/dbraw/zinc/43/39/73/806433973.db2.gz GWYKGRAKCWPCLU-WFASDCNBSA-N 2 2 282.378 3.490 20 0 CGADLP CCCCCC(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840841 806496163 /nfs/dbraw/zinc/49/61/63/806496163.db2.gz OZWLFSJTYAFJKQ-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841037 806495886 /nfs/dbraw/zinc/49/58/86/806495886.db2.gz REUXHEOYFGMTHC-HOCLYGCPSA-N 2 2 252.446 3.275 20 0 CGADLP c1ccc(C2CC([NH2+][C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254840090 806494870 /nfs/dbraw/zinc/49/48/70/806494870.db2.gz BVGDKPDTSKTOFG-ABHNRTSZSA-N 2 2 270.420 3.007 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852320 806499314 /nfs/dbraw/zinc/49/93/14/806499314.db2.gz GOOUXOYVCMLLAB-QZTJIDSGSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2[C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852320 806499319 /nfs/dbraw/zinc/49/93/19/806499319.db2.gz GOOUXOYVCMLLAB-QZTJIDSGSA-N 2 2 288.410 3.447 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C1 ZINC001162397889 806576746 /nfs/dbraw/zinc/57/67/46/806576746.db2.gz ZXKOASBCJSHICL-NWDGAFQWSA-N 2 2 299.340 3.357 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)cc(OC(F)F)[nH+]1 ZINC001162472450 806593494 /nfs/dbraw/zinc/59/34/94/806593494.db2.gz XPXCLLYROGIHHK-ZYHUDNBSSA-N 2 2 299.365 3.039 20 0 CGADLP C[N@H+]([C@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255282927 806594400 /nfs/dbraw/zinc/59/44/00/806594400.db2.gz WVIUMWBEKNXBEB-KRWDZBQOSA-N 2 2 290.476 3.088 20 0 CGADLP C[N@@H+]([C@H]1CCSC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001255282927 806594409 /nfs/dbraw/zinc/59/44/09/806594409.db2.gz WVIUMWBEKNXBEB-KRWDZBQOSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395511 806633004 /nfs/dbraw/zinc/63/30/04/806633004.db2.gz BXJVJLGGNSHLGO-DOTOQJQBSA-N 2 2 299.418 3.380 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395511 806633007 /nfs/dbraw/zinc/63/30/07/806633007.db2.gz BXJVJLGGNSHLGO-DOTOQJQBSA-N 2 2 299.418 3.380 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1CNc1cc(-c2ccccc2)cc[nH+]1 ZINC001162801590 806668338 /nfs/dbraw/zinc/66/83/38/806668338.db2.gz CVDMFMNUKDNYSL-HOTGVXAUSA-N 2 2 285.366 3.108 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(c2ccccc2)C1 ZINC000037154267 798859852 /nfs/dbraw/zinc/85/98/52/798859852.db2.gz BLQGRVBUISNEEF-FAEJEUNOSA-N 2 2 272.436 3.397 20 0 CGADLP Cc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000037156201 798860095 /nfs/dbraw/zinc/86/00/95/798860095.db2.gz IRIWSGJJNURUTF-MRXNPFEDSA-N 2 2 271.408 3.396 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1 ZINC000037156183 798860226 /nfs/dbraw/zinc/86/02/26/798860226.db2.gz KSZHADJYTURIIB-OAHLLOKOSA-N 2 2 275.371 3.227 20 0 CGADLP Cc1noc(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037860317 798876954 /nfs/dbraw/zinc/87/69/54/798876954.db2.gz OGCGGHSKEQANFY-UHFFFAOYSA-N 2 2 279.428 3.036 20 0 CGADLP Cc1noc(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037860317 798876960 /nfs/dbraw/zinc/87/69/60/798876960.db2.gz OGCGGHSKEQANFY-UHFFFAOYSA-N 2 2 279.428 3.036 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000300403598 799203798 /nfs/dbraw/zinc/20/37/98/799203798.db2.gz TZMWLXBXVDQVTH-KLHDSHLOSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000300403598 799203803 /nfs/dbraw/zinc/20/38/03/799203803.db2.gz TZMWLXBXVDQVTH-KLHDSHLOSA-N 2 2 250.430 3.029 20 0 CGADLP CSc1nc(NC2CCC(C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC001163296604 806737613 /nfs/dbraw/zinc/73/76/13/806737613.db2.gz NLYKEHOJGHCJGN-UHFFFAOYSA-N 2 2 294.468 3.039 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000381600717 799383332 /nfs/dbraw/zinc/38/33/32/799383332.db2.gz NEGDFBGDSGNWBX-UGSOOPFHSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000381600717 799383340 /nfs/dbraw/zinc/38/33/40/799383340.db2.gz NEGDFBGDSGNWBX-UGSOOPFHSA-N 2 2 284.403 3.160 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000385978487 799430216 /nfs/dbraw/zinc/43/02/16/799430216.db2.gz QWPKWZRSJQVHEN-VHSXEESVSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000385978487 799430220 /nfs/dbraw/zinc/43/02/20/799430220.db2.gz QWPKWZRSJQVHEN-VHSXEESVSA-N 2 2 260.303 3.045 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000389526022 799463020 /nfs/dbraw/zinc/46/30/20/799463020.db2.gz HQYOERNYEGLMEE-UYSNPLJNSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000389526022 799463023 /nfs/dbraw/zinc/46/30/23/799463023.db2.gz HQYOERNYEGLMEE-UYSNPLJNSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001163365757 806749359 /nfs/dbraw/zinc/74/93/59/806749359.db2.gz MVHQWMLEOCEYAS-SMDDNHRTSA-N 2 2 265.376 3.060 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001163365757 806749362 /nfs/dbraw/zinc/74/93/62/806749362.db2.gz MVHQWMLEOCEYAS-SMDDNHRTSA-N 2 2 265.376 3.060 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCSCC1 ZINC000692483597 799795582 /nfs/dbraw/zinc/79/55/82/799795582.db2.gz NTVLJWRXQOZURW-KGLIPLIRSA-N 2 2 281.469 3.173 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@]34C[C@H]3CCC4)cc2)c[nH+]1 ZINC000693536700 799812045 /nfs/dbraw/zinc/81/20/45/799812045.db2.gz YJHOCWPAEBAGGJ-WBVHZDCISA-N 2 2 267.376 3.152 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001255882817 806782096 /nfs/dbraw/zinc/78/20/96/806782096.db2.gz LHKREAULYKNOPO-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001255882817 806782098 /nfs/dbraw/zinc/78/20/98/806782098.db2.gz LHKREAULYKNOPO-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000711709025 800069597 /nfs/dbraw/zinc/06/95/97/800069597.db2.gz JQEBOUACSKAVHR-LSDHHAIUSA-N 2 2 267.376 3.489 20 0 CGADLP c1cn(CCC[NH2+][C@H](C2CCC2)C2CCCC2)c[nH+]1 ZINC000711898239 800080387 /nfs/dbraw/zinc/08/03/87/800080387.db2.gz XGAFQVWQMUQNSV-INIZCTEOSA-N 2 2 261.413 3.222 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001255965380 806803254 /nfs/dbraw/zinc/80/32/54/806803254.db2.gz FOEXYKIXTHEGOL-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCOC2(CCCCC2)C1 ZINC001255965380 806803262 /nfs/dbraw/zinc/80/32/62/806803262.db2.gz FOEXYKIXTHEGOL-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP CC1(C)C[N@@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256081164 806816395 /nfs/dbraw/zinc/81/63/95/806816395.db2.gz QPZIRQWULPGJJK-UHFFFAOYSA-N 2 2 284.447 3.407 20 0 CGADLP CC1(C)C[N@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256081164 806816400 /nfs/dbraw/zinc/81/64/00/806816400.db2.gz QPZIRQWULPGJJK-UHFFFAOYSA-N 2 2 284.447 3.407 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(F)c1F ZINC001256198831 806847634 /nfs/dbraw/zinc/84/76/34/806847634.db2.gz WZISFLCDVIQPQK-NSHDSACASA-N 2 2 268.351 3.018 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000926580074 800640368 /nfs/dbraw/zinc/64/03/68/800640368.db2.gz LBFQSAIVQBWZLK-DEICHXMPSA-N 2 2 287.451 3.099 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000926580074 800640372 /nfs/dbraw/zinc/64/03/72/800640372.db2.gz LBFQSAIVQBWZLK-DEICHXMPSA-N 2 2 287.451 3.099 20 0 CGADLP Cc1[nH+]ccn1CCNc1[nH+]ccc2cc(C)ccc21 ZINC001163916754 806849837 /nfs/dbraw/zinc/84/98/37/806849837.db2.gz MCLWOODXZGLEJZ-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256211236 806851992 /nfs/dbraw/zinc/85/19/92/806851992.db2.gz SLBSNEHVKKNPIX-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256211236 806851996 /nfs/dbraw/zinc/85/19/96/806851996.db2.gz SLBSNEHVKKNPIX-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP CC(C)c1ccc(N2CCC[C@@](C)(C[NH3+])CC2)[nH+]c1 ZINC001164246986 806923043 /nfs/dbraw/zinc/92/30/43/806923043.db2.gz FTOSIDLEQHGHOR-MRXNPFEDSA-N 2 2 261.413 3.160 20 0 CGADLP c1ccc(C[NH+]2CCC([N@@H+]3CCCC34CC4)CC2)cc1 ZINC001256604750 806923758 /nfs/dbraw/zinc/92/37/58/806923758.db2.gz VZDBLZDEVORDPR-UHFFFAOYSA-N 2 2 270.420 3.279 20 0 CGADLP c1ccc(C[NH+]2CCC([N@H+]3CCCC34CC4)CC2)cc1 ZINC001256604750 806923762 /nfs/dbraw/zinc/92/37/62/806923762.db2.gz VZDBLZDEVORDPR-UHFFFAOYSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604218 806924065 /nfs/dbraw/zinc/92/40/65/806924065.db2.gz NCLTUNAZIISRGA-ZBFHGGJFSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604218 806924072 /nfs/dbraw/zinc/92/40/72/806924072.db2.gz NCLTUNAZIISRGA-ZBFHGGJFSA-N 2 2 276.399 3.083 20 0 CGADLP COc1ccc2[nH+]c(N3C[C@H](C[NH3+])CC[C@@H]3C)cc(C)c2c1 ZINC001164467934 806951782 /nfs/dbraw/zinc/95/17/82/806951782.db2.gz OMNCAEDUVGNVLL-KBPBESRZSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC001116289447 802326628 /nfs/dbraw/zinc/32/66/28/802326628.db2.gz WCEGHDZCYWOZAU-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC001116289447 802326635 /nfs/dbraw/zinc/32/66/35/802326635.db2.gz WCEGHDZCYWOZAU-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP Cc1cc([NH2+][C@H]2CC[C@@H]2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001117620863 802471672 /nfs/dbraw/zinc/47/16/72/802471672.db2.gz YUCJDEQWVPQBAT-MSOLQXFVSA-N 2 2 299.462 3.347 20 0 CGADLP Cc1ccc(CC2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC001117814465 802503422 /nfs/dbraw/zinc/50/34/22/802503422.db2.gz WNDWOEDYYVBBCT-UHFFFAOYSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1c[nH+]cc(NCC2C[NH+](Cc3ccccc3)C2)c1C ZINC001165452876 807004383 /nfs/dbraw/zinc/00/43/83/807004383.db2.gz AEQZAESNZCHKOO-UHFFFAOYSA-N 2 2 281.403 3.242 20 0 CGADLP C[NH2+]Cc1ccccc1-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001243982261 803119850 /nfs/dbraw/zinc/11/98/50/803119850.db2.gz WYJKXCVNYZOTQF-UHFFFAOYSA-N 2 2 263.344 3.463 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206809939 813442836 /nfs/dbraw/zinc/44/28/36/813442836.db2.gz MMCXRZBAQMYBKR-JQWIXIFHSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206809939 813442841 /nfs/dbraw/zinc/44/28/41/813442841.db2.gz MMCXRZBAQMYBKR-JQWIXIFHSA-N 2 2 284.806 3.347 20 0 CGADLP COc1cc(C)[nH+]cc1-c1cccc(C[NH+](C)C)c1F ZINC001244864352 803554432 /nfs/dbraw/zinc/55/44/32/803554432.db2.gz PDYDFSLDZIGNHD-UHFFFAOYSA-N 2 2 274.339 3.266 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cncc(Cl)c2)CC1 ZINC001136999336 803670456 /nfs/dbraw/zinc/67/04/56/803670456.db2.gz SLMKHJRDLDHTCF-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cncc(Cl)c2)CC1 ZINC001136999336 803670459 /nfs/dbraw/zinc/67/04/59/803670459.db2.gz SLMKHJRDLDHTCF-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CNc1cc(-c2ccc(OCCC[NH+](C)C)cc2)cc[nH+]1 ZINC001245341597 803703947 /nfs/dbraw/zinc/70/39/47/803703947.db2.gz NKOSLDPXQZILKK-UHFFFAOYSA-N 2 2 285.391 3.121 20 0 CGADLP CC(C)(C)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001137370555 803723454 /nfs/dbraw/zinc/72/34/54/803723454.db2.gz IQBLJLHYQSXZDR-UHFFFAOYSA-N 2 2 298.434 3.029 20 0 CGADLP Cc1nc(Cl)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245773450 803955286 /nfs/dbraw/zinc/95/52/86/803955286.db2.gz HSPKONHIBVJZBQ-UHFFFAOYSA-N 2 2 298.777 3.045 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246073926 804111652 /nfs/dbraw/zinc/11/16/52/804111652.db2.gz AZPAZQQWAPYPHY-KBMXLJTQSA-N 2 2 260.425 3.491 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H](C[NH3+])c1ccccc1)C2 ZINC001246074495 804113738 /nfs/dbraw/zinc/11/37/38/804113738.db2.gz DWJFVADPFXASQH-IEBWSBKVSA-N 2 2 280.415 3.142 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246087602 804120138 /nfs/dbraw/zinc/12/01/38/804120138.db2.gz GNTXOPPZCNPMIQ-CVEARBPZSA-N 2 2 270.461 3.094 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246100295 804133501 /nfs/dbraw/zinc/13/35/01/804133501.db2.gz SMBSCTOWGHFKMX-RRFJBIMHSA-N 2 2 268.420 3.169 20 0 CGADLP Cn1ccc2ccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)cc21 ZINC001139207357 804163837 /nfs/dbraw/zinc/16/38/37/804163837.db2.gz BTXXTLMBTVFXMT-UHFFFAOYSA-N 2 2 297.446 3.237 20 0 CGADLP Cn1ccc2ccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)cc21 ZINC001139207357 804163841 /nfs/dbraw/zinc/16/38/41/804163841.db2.gz BTXXTLMBTVFXMT-UHFFFAOYSA-N 2 2 297.446 3.237 20 0 CGADLP CCCCC(CCCC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246143454 804164677 /nfs/dbraw/zinc/16/46/77/804164677.db2.gz KJIWMCAVNLWBHB-QGZVFWFLSA-N 3 2 295.515 3.199 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246142317 804165469 /nfs/dbraw/zinc/16/54/69/804165469.db2.gz NGEZFBXTDZOLOU-DZUCGIPZSA-N 2 2 258.409 3.258 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246160958 804177976 /nfs/dbraw/zinc/17/79/76/804177976.db2.gz WGGROQNRMXJWQU-HIFRSBDPSA-N 2 2 282.378 3.221 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc2ccccc2c1 ZINC001246170719 804185680 /nfs/dbraw/zinc/18/56/80/804185680.db2.gz JFLJINMIZINOML-PBFPGSCMSA-N 2 2 254.377 3.241 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCCC)CC[NH2+]1 ZINC001246185310 804197114 /nfs/dbraw/zinc/19/71/14/804197114.db2.gz UBZXTCNBCSBXMI-DLBZAZTESA-N 3 2 283.504 3.009 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185310 804197118 /nfs/dbraw/zinc/19/71/18/804197118.db2.gz UBZXTCNBCSBXMI-DLBZAZTESA-N 3 2 283.504 3.009 20 0 CGADLP CC[C@@H]1CC([NH2+]Cc2c(F)cccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246185199 804197336 /nfs/dbraw/zinc/19/73/36/804197336.db2.gz AXXWLDPABFXOMH-CHWSQXEVSA-N 2 2 294.414 3.233 20 0 CGADLP c1ccc(C2([NH2+][C@@H]3CC[NH2+]C3)CCCCCC2)cc1 ZINC001246198658 804205566 /nfs/dbraw/zinc/20/55/66/804205566.db2.gz TUVZMUSXHWAEAV-MRXNPFEDSA-N 2 2 258.409 3.188 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246206761 804206840 /nfs/dbraw/zinc/20/68/40/804206840.db2.gz SMBSCTOWGHFKMX-QLFBSQMISA-N 2 2 268.420 3.169 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246232601 804225922 /nfs/dbraw/zinc/22/59/22/804225922.db2.gz KAIAJSWFIXRLCB-QWRGUYRKSA-N 2 2 288.769 3.238 20 0 CGADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246272313 804249301 /nfs/dbraw/zinc/24/93/01/804249301.db2.gz YNAVSBZHPIFOBC-WDEREUQCSA-N 2 2 288.769 3.238 20 0 CGADLP F/C=C(\CCc1ccc(F)cc1)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246281627 804256814 /nfs/dbraw/zinc/25/68/14/804256814.db2.gz XHGIIFYFRIEUTP-JMPLCFMRSA-N 2 2 294.389 3.343 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C[NH2+]1 ZINC001246281971 804257027 /nfs/dbraw/zinc/25/70/27/804257027.db2.gz XUBFIGPSGNDVLQ-WYRKQZDXSA-N 2 2 294.389 3.342 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CCC2)cc1 ZINC001246294546 804263918 /nfs/dbraw/zinc/26/39/18/804263918.db2.gz XFFJOMXPFNTZSE-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246295718 804265105 /nfs/dbraw/zinc/26/51/05/804265105.db2.gz YTELAEMAIBMACY-DAXOMENPSA-N 2 2 264.388 3.253 20 0 CGADLP COCc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001139829925 804293691 /nfs/dbraw/zinc/29/36/91/804293691.db2.gz ZNBVXOFDCNMOGP-UHFFFAOYSA-N 2 2 296.480 3.199 20 0 CGADLP COCc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)s1 ZINC001139829925 804293698 /nfs/dbraw/zinc/29/36/98/804293698.db2.gz ZNBVXOFDCNMOGP-UHFFFAOYSA-N 2 2 296.480 3.199 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246348204 804298770 /nfs/dbraw/zinc/29/87/70/804298770.db2.gz IPKBJFMDPHDPQV-OCCSQVGLSA-N 2 2 266.816 3.441 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246403589 804321662 /nfs/dbraw/zinc/32/16/62/804321662.db2.gz HLFMXPRNSZZZIM-CSMYWGQOSA-N 2 2 276.399 3.397 20 0 CGADLP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCCC[NH2+]C3)cc2)nc1 ZINC001246411346 804325139 /nfs/dbraw/zinc/32/51/39/804325139.db2.gz CIGQXQSRFJJEAU-MRXNPFEDSA-N 2 2 297.402 3.106 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cc(C)ccc1C ZINC001246469595 804347858 /nfs/dbraw/zinc/34/78/58/804347858.db2.gz DIVJEUXJRJYAAU-YQQAZPJKSA-N 2 2 260.425 3.485 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001140026730 804354084 /nfs/dbraw/zinc/35/40/84/804354084.db2.gz PTLUJFYFMZGIEW-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](F)C1 ZINC001140026730 804354095 /nfs/dbraw/zinc/35/40/95/804354095.db2.gz PTLUJFYFMZGIEW-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CCC2 ZINC001246503155 804363759 /nfs/dbraw/zinc/36/37/59/804363759.db2.gz YRYRSUSVKAEENN-LRDDRELGSA-N 2 2 280.362 3.074 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246502361 804363845 /nfs/dbraw/zinc/36/38/45/804363845.db2.gz VLMNWEICUVSMEK-WBMJQRKESA-N 2 2 278.827 3.449 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)CCC(C)C)c1 ZINC001246508830 804368122 /nfs/dbraw/zinc/36/81/22/804368122.db2.gz FEKOSMXCLXGFFH-XJKSGUPXSA-N 2 2 264.413 3.109 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536181 804385575 /nfs/dbraw/zinc/38/55/75/804385575.db2.gz CTIXUOCSDWERBK-HZPDHXFCSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536181 804385584 /nfs/dbraw/zinc/38/55/84/804385584.db2.gz CTIXUOCSDWERBK-HZPDHXFCSA-N 2 2 278.827 3.229 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001246559451 804407822 /nfs/dbraw/zinc/40/78/22/804407822.db2.gz BLQXLSKAWVYGSA-RRFJBIMHSA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1F ZINC001246559451 804407827 /nfs/dbraw/zinc/40/78/27/804407827.db2.gz BLQXLSKAWVYGSA-RRFJBIMHSA-N 2 2 268.420 3.251 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246561785 804410241 /nfs/dbraw/zinc/41/02/41/804410241.db2.gz LSVWMVKIJUEASW-HZPDHXFCSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246561785 804410244 /nfs/dbraw/zinc/41/02/44/804410244.db2.gz LSVWMVKIJUEASW-HZPDHXFCSA-N 2 2 262.372 3.105 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585258 804428041 /nfs/dbraw/zinc/42/80/41/804428041.db2.gz ZQQYNIPXPUCIJK-LSDHHAIUSA-N 2 2 258.425 3.354 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246585258 804428048 /nfs/dbraw/zinc/42/80/48/804428048.db2.gz ZQQYNIPXPUCIJK-LSDHHAIUSA-N 2 2 258.425 3.354 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618284 804452403 /nfs/dbraw/zinc/45/24/03/804452403.db2.gz IWWYTRXOSOFHDO-IKICRFKJSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618284 804452408 /nfs/dbraw/zinc/45/24/08/804452408.db2.gz IWWYTRXOSOFHDO-IKICRFKJSA-N 2 2 270.420 3.136 20 0 CGADLP CCCC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246622238 804455331 /nfs/dbraw/zinc/45/53/31/804455331.db2.gz YLEIZDPQYBRVPY-JQFCIGGWSA-N 2 2 258.409 3.136 20 0 CGADLP CCCC[C@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246622238 804455333 /nfs/dbraw/zinc/45/53/33/804455333.db2.gz YLEIZDPQYBRVPY-JQFCIGGWSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637757 804466149 /nfs/dbraw/zinc/46/61/49/804466149.db2.gz JGNIEDKIJSVLGX-KCPJHIHWSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637757 804466151 /nfs/dbraw/zinc/46/61/51/804466151.db2.gz JGNIEDKIJSVLGX-KCPJHIHWSA-N 2 2 298.352 3.073 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767925 804500698 /nfs/dbraw/zinc/50/06/98/804500698.db2.gz DCPKNMBWICWYCV-AWEZNQCLSA-N 2 2 278.827 3.447 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767925 804500701 /nfs/dbraw/zinc/50/07/01/804500701.db2.gz DCPKNMBWICWYCV-AWEZNQCLSA-N 2 2 278.827 3.447 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780232 804508801 /nfs/dbraw/zinc/50/88/01/804508801.db2.gz BLZSMFRDGILMJX-SJORKVTESA-N 2 2 288.435 3.192 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780232 804508804 /nfs/dbraw/zinc/50/88/04/804508804.db2.gz BLZSMFRDGILMJX-SJORKVTESA-N 2 2 288.435 3.192 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246798253 804519291 /nfs/dbraw/zinc/51/92/91/804519291.db2.gz NLJCFUHLFCURLM-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246798253 804519296 /nfs/dbraw/zinc/51/92/96/804519296.db2.gz NLJCFUHLFCURLM-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001140807273 804523604 /nfs/dbraw/zinc/52/36/04/804523604.db2.gz SXIMPVWOGZSBKR-SFHVURJKSA-N 2 2 293.370 3.136 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001140807273 804523608 /nfs/dbraw/zinc/52/36/08/804523608.db2.gz SXIMPVWOGZSBKR-SFHVURJKSA-N 2 2 293.370 3.136 20 0 CGADLP C[C@H]1C(=O)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C12CCCC2 ZINC001140806338 804524107 /nfs/dbraw/zinc/52/41/07/804524107.db2.gz GSMBFHANKHPFSF-ZDUSSCGKSA-N 2 2 297.402 3.287 20 0 CGADLP C[C@H]1C(=O)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C12CCCC2 ZINC001140806338 804524112 /nfs/dbraw/zinc/52/41/12/804524112.db2.gz GSMBFHANKHPFSF-ZDUSSCGKSA-N 2 2 297.402 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001246819442 804534193 /nfs/dbraw/zinc/53/41/93/804534193.db2.gz GDBMFPTZVSUYFL-KKUMJFAQSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001246819442 804534198 /nfs/dbraw/zinc/53/41/98/804534198.db2.gz GDBMFPTZVSUYFL-KKUMJFAQSA-N 2 2 278.465 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824876 804536878 /nfs/dbraw/zinc/53/68/78/804536878.db2.gz QVFMNJGFWPRVMM-KCXAZCMYSA-N 2 2 294.439 3.056 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824876 804536882 /nfs/dbraw/zinc/53/68/82/804536882.db2.gz QVFMNJGFWPRVMM-KCXAZCMYSA-N 2 2 294.439 3.056 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246836277 804544213 /nfs/dbraw/zinc/54/42/13/804544213.db2.gz ODHMINHWEPRJMT-INIZCTEOSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+]([C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246836277 804544216 /nfs/dbraw/zinc/54/42/16/804544216.db2.gz ODHMINHWEPRJMT-INIZCTEOSA-N 2 2 290.838 3.373 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C[C@H](C)[NH2+]1 ZINC001246835644 804545235 /nfs/dbraw/zinc/54/52/35/804545235.db2.gz KWTFGPXPAJZNAZ-DRXBFXEBSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)C[C@H](C)[NH2+]1 ZINC001246835644 804545240 /nfs/dbraw/zinc/54/52/40/804545240.db2.gz KWTFGPXPAJZNAZ-DRXBFXEBSA-N 2 2 278.827 3.227 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846052 804554215 /nfs/dbraw/zinc/55/42/15/804554215.db2.gz OVMOQXPCDMJFIW-LSDHHAIUSA-N 2 2 250.430 3.316 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2CCCCC23CC3)CC[NH2+]1 ZINC001246846052 804554219 /nfs/dbraw/zinc/55/42/19/804554219.db2.gz OVMOQXPCDMJFIW-LSDHHAIUSA-N 2 2 250.430 3.316 20 0 CGADLP CCCCc1[nH]c(C[NH+]2CCC3(CC(F)C3)CC2)c[nH+]1 ZINC001141067920 804583592 /nfs/dbraw/zinc/58/35/92/804583592.db2.gz RRKTZBYEMDVYLU-UHFFFAOYSA-N 2 2 279.403 3.466 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923334 804602837 /nfs/dbraw/zinc/60/28/37/804602837.db2.gz WBJQEJZKZYMEIS-FPMFFAJLSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923334 804602840 /nfs/dbraw/zinc/60/28/40/804602840.db2.gz WBJQEJZKZYMEIS-FPMFFAJLSA-N 2 2 290.373 3.324 20 0 CGADLP CC1(C)CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246964299 804619123 /nfs/dbraw/zinc/61/91/23/804619123.db2.gz RZIRUZXXEJKWAH-SJORKVTESA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246964299 804619125 /nfs/dbraw/zinc/61/91/25/804619125.db2.gz RZIRUZXXEJKWAH-SJORKVTESA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965973 804619653 /nfs/dbraw/zinc/61/96/53/804619653.db2.gz RBQNBQNIQXRJOL-PBHICJAKSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246965973 804619658 /nfs/dbraw/zinc/61/96/58/804619658.db2.gz RBQNBQNIQXRJOL-PBHICJAKSA-N 2 2 258.409 3.182 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)CC1 ZINC001246989020 804630696 /nfs/dbraw/zinc/63/06/96/804630696.db2.gz RGDZAGSRDLZDGB-LEOMRAHMSA-N 2 2 294.483 3.046 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CC[C@]3(C2)C[NH2+]CCO3)CC1 ZINC001246989020 804630698 /nfs/dbraw/zinc/63/06/98/804630698.db2.gz RGDZAGSRDLZDGB-LEOMRAHMSA-N 2 2 294.483 3.046 20 0 CGADLP [NH3+]Cc1cccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1 ZINC001247016116 804643128 /nfs/dbraw/zinc/64/31/28/804643128.db2.gz ZMEOSXOYYLRQPF-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141577451 804653135 /nfs/dbraw/zinc/65/31/35/804653135.db2.gz FQKHCLVXZQNWDT-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP CC[N@H+](Cc1cc(F)cc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001249524414 805164553 /nfs/dbraw/zinc/16/45/53/805164553.db2.gz WMEXGOATOTULEU-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001249524414 805164558 /nfs/dbraw/zinc/16/45/58/805164558.db2.gz WMEXGOATOTULEU-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP Cc1cccc2c(C)cc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]c12 ZINC001155095602 805539438 /nfs/dbraw/zinc/53/94/38/805539438.db2.gz RCWMOPPEBMDVAK-ZIAGYGMSSA-N 2 2 269.392 3.262 20 0 CGADLP CSc1cc[nH+]c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165323532 806993445 /nfs/dbraw/zinc/99/34/45/806993445.db2.gz QQSJDALUEMUQFH-OAHLLOKOSA-N 2 2 291.464 3.162 20 0 CGADLP C[C@H]1CC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257106409 807055789 /nfs/dbraw/zinc/05/57/89/807055789.db2.gz PVRCJFVQQAYJEP-GJZGRUSLSA-N 2 2 294.483 3.281 20 0 CGADLP C[C@H]1CC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257106409 807055795 /nfs/dbraw/zinc/05/57/95/807055795.db2.gz PVRCJFVQQAYJEP-GJZGRUSLSA-N 2 2 294.483 3.281 20 0 CGADLP CCC[C@H](CC)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001257271417 807085695 /nfs/dbraw/zinc/08/56/95/807085695.db2.gz RQWKYRMMFVOFEE-AWEZNQCLSA-N 2 2 291.439 3.227 20 0 CGADLP CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001257308762 807099087 /nfs/dbraw/zinc/09/90/87/807099087.db2.gz GXOPYMPCHKBHNF-ZWNOBZJWSA-N 2 2 285.229 3.227 20 0 CGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001257311384 807099697 /nfs/dbraw/zinc/09/96/97/807099697.db2.gz MEYRMMPYDZRFFM-AWEZNQCLSA-N 2 2 276.424 3.135 20 0 CGADLP CCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257317275 807103404 /nfs/dbraw/zinc/10/34/04/807103404.db2.gz LYMRIDWNNVXHFW-AWEZNQCLSA-N 2 2 292.471 3.072 20 0 CGADLP CCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257317275 807103409 /nfs/dbraw/zinc/10/34/09/807103409.db2.gz LYMRIDWNNVXHFW-AWEZNQCLSA-N 2 2 292.471 3.072 20 0 CGADLP CCCC(CCC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001257340309 807114560 /nfs/dbraw/zinc/11/45/60/807114560.db2.gz WMHDNHKFSFRCPJ-UHFFFAOYSA-N 3 2 285.520 3.161 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cc(C3CC3)cc[nH+]2)c1 ZINC001167033176 807132495 /nfs/dbraw/zinc/13/24/95/807132495.db2.gz IKIWBBHDOJAIGZ-UHFFFAOYSA-N 2 2 253.349 3.422 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001257431461 807153663 /nfs/dbraw/zinc/15/36/63/807153663.db2.gz GGUUKUYXNLHRES-ZDUSSCGKSA-N 2 2 278.415 3.487 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccn2cc[nH+]c2c1 ZINC001167752859 807242303 /nfs/dbraw/zinc/24/23/03/807242303.db2.gz YTKGUDAWVUVUBM-AWEZNQCLSA-N 2 2 272.396 3.011 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1ccn2cc[nH+]c2c1 ZINC001167752859 807242307 /nfs/dbraw/zinc/24/23/07/807242307.db2.gz YTKGUDAWVUVUBM-AWEZNQCLSA-N 2 2 272.396 3.011 20 0 CGADLP C[C@@H]1CC([N@H+](C)CCF)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067196 807303814 /nfs/dbraw/zinc/30/38/14/807303814.db2.gz RRSWXTVVKBERCV-HUUCEWRRSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@@H]1CC([N@@H+](C)CCF)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168067196 807303823 /nfs/dbraw/zinc/30/38/23/807303823.db2.gz RRSWXTVVKBERCV-HUUCEWRRSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@H]1C[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001258167015 807332588 /nfs/dbraw/zinc/33/25/88/807332588.db2.gz FLELXTBCLNBDFO-BARDWOONSA-N 2 2 261.413 3.347 20 0 CGADLP Cc1ccc2c(cc[nH+]c2NC2C[NH+](C(C)C)C2)c1 ZINC001168312184 807378558 /nfs/dbraw/zinc/37/85/58/807378558.db2.gz ZOGBWUBYQGHDOE-UHFFFAOYSA-N 2 2 255.365 3.048 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCCCC3)C[C@@H]21 ZINC001258242989 807384043 /nfs/dbraw/zinc/38/40/43/807384043.db2.gz CWEUFYXSRFXERN-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCCCC3)C[C@@H]21 ZINC001258242989 807384051 /nfs/dbraw/zinc/38/40/51/807384051.db2.gz CWEUFYXSRFXERN-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242989 807384060 /nfs/dbraw/zinc/38/40/60/807384060.db2.gz CWEUFYXSRFXERN-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242989 807384069 /nfs/dbraw/zinc/38/40/69/807384069.db2.gz CWEUFYXSRFXERN-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001168468677 807427910 /nfs/dbraw/zinc/42/79/10/807427910.db2.gz PHGGAERGJFDKDE-PBHICJAKSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001168468677 807427913 /nfs/dbraw/zinc/42/79/13/807427913.db2.gz PHGGAERGJFDKDE-PBHICJAKSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001168473406 807428975 /nfs/dbraw/zinc/42/89/75/807428975.db2.gz FKCGDPFWTIPQHD-CYBMUJFWSA-N 2 2 283.350 3.194 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001258396105 807438204 /nfs/dbraw/zinc/43/82/04/807438204.db2.gz MZBJIGAMBCONME-CRAIPNDOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001258396105 807438209 /nfs/dbraw/zinc/43/82/09/807438209.db2.gz MZBJIGAMBCONME-CRAIPNDOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001258396115 807438931 /nfs/dbraw/zinc/43/89/31/807438931.db2.gz MZBJIGAMBCONME-YJBOKZPZSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001258396115 807438936 /nfs/dbraw/zinc/43/89/36/807438936.db2.gz MZBJIGAMBCONME-YJBOKZPZSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1cc(N2C[C@H](CC[NH3+])c3ccccc32)c[nH+]c1C ZINC001168550821 807444121 /nfs/dbraw/zinc/44/41/21/807444121.db2.gz WNNXZEHLDNUTLR-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP CC(C)[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258608212 807505171 /nfs/dbraw/zinc/50/51/71/807505171.db2.gz FUXBSIHHIDPMLO-HNNXBMFYSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258608212 807505175 /nfs/dbraw/zinc/50/51/75/807505175.db2.gz FUXBSIHHIDPMLO-HNNXBMFYSA-N 2 2 252.446 3.370 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC001169098102 807575700 /nfs/dbraw/zinc/57/57/00/807575700.db2.gz FZDDFCLVQFVXHI-BTTYYORXSA-N 2 2 296.361 3.003 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC001169098102 807575706 /nfs/dbraw/zinc/57/57/06/807575706.db2.gz FZDDFCLVQFVXHI-BTTYYORXSA-N 2 2 296.361 3.003 20 0 CGADLP CC(C)Oc1cc(NC(C)(C)CC[NH+](C)C)cc[nH+]1 ZINC001169718740 807697660 /nfs/dbraw/zinc/69/76/60/807697660.db2.gz VACWIZKTDDBERH-UHFFFAOYSA-N 2 2 265.401 3.011 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239464 807799742 /nfs/dbraw/zinc/79/97/42/807799742.db2.gz NCJVZOXWKRBUAZ-ZWKOTPCHSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001170239464 807799745 /nfs/dbraw/zinc/79/97/45/807799745.db2.gz NCJVZOXWKRBUAZ-ZWKOTPCHSA-N 2 2 299.418 3.262 20 0 CGADLP Cc1[nH+]c(C(C)(C)C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC001170620788 807866667 /nfs/dbraw/zinc/86/66/67/807866667.db2.gz GCBZIPUFYITOBV-QWHCGFSZSA-N 2 2 276.428 3.073 20 0 CGADLP CNc1ccc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c[nH+]1 ZINC001171170471 808000074 /nfs/dbraw/zinc/00/00/74/808000074.db2.gz WWUSPXDRLDUXBR-CYBMUJFWSA-N 2 2 294.402 3.265 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171549710 808091703 /nfs/dbraw/zinc/09/17/03/808091703.db2.gz DRUXLTZCIPZEHL-SFHVURJKSA-N 2 2 286.463 3.318 20 0 CGADLP CC[N@H+](C)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641634 808111271 /nfs/dbraw/zinc/11/12/71/808111271.db2.gz RJOFPECTDOJQEA-UHFFFAOYSA-N 3 2 295.515 3.054 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641634 808111276 /nfs/dbraw/zinc/11/12/76/808111276.db2.gz RJOFPECTDOJQEA-UHFFFAOYSA-N 3 2 295.515 3.054 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171780429 808137948 /nfs/dbraw/zinc/13/79/48/808137948.db2.gz JXZJPORKBZJRCA-ZBFHGGJFSA-N 2 2 290.426 3.003 20 0 CGADLP c1cn([C@H]2CSc3ccccc3C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001172206590 808199070 /nfs/dbraw/zinc/19/90/70/808199070.db2.gz SDMBXAYQFMBXSB-LSDHHAIUSA-N 2 2 299.443 3.240 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@H]1C ZINC001172371485 808265925 /nfs/dbraw/zinc/26/59/25/808265925.db2.gz UPSDRYKVJOGQBK-JHNDHUHGSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@H]1C ZINC001172371485 808265931 /nfs/dbraw/zinc/26/59/31/808265931.db2.gz UPSDRYKVJOGQBK-JHNDHUHGSA-N 2 2 264.457 3.275 20 0 CGADLP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172414367 808299849 /nfs/dbraw/zinc/29/98/49/808299849.db2.gz POZIUAKDFZZIBP-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CCOCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172414367 808299851 /nfs/dbraw/zinc/29/98/51/808299851.db2.gz POZIUAKDFZZIBP-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172876241 808473240 /nfs/dbraw/zinc/47/32/40/808473240.db2.gz XUOSUBMNUPUAIF-WCQYABFASA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172876241 808473245 /nfs/dbraw/zinc/47/32/45/808473245.db2.gz XUOSUBMNUPUAIF-WCQYABFASA-N 2 2 284.856 3.244 20 0 CGADLP CC[NH+](CC)CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173194423 808533886 /nfs/dbraw/zinc/53/38/86/808533886.db2.gz VKYOJXKDDUVZNN-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001213071312 815219550 /nfs/dbraw/zinc/21/95/50/815219550.db2.gz KZWALLWVHBZRSZ-UHFFFAOYSA-N 2 2 254.293 3.019 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173340191 808620393 /nfs/dbraw/zinc/62/03/93/808620393.db2.gz SOXURXSLVSUFNY-LSDHHAIUSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173340185 808620443 /nfs/dbraw/zinc/62/04/43/808620443.db2.gz SOXURXSLVSUFNY-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1[nH+]cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)n1C ZINC001174382516 808985517 /nfs/dbraw/zinc/98/55/17/808985517.db2.gz UDZWIDNTPXNHRO-UHFFFAOYSA-N 2 2 269.352 3.403 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631275 809022869 /nfs/dbraw/zinc/02/28/69/809022869.db2.gz VFSXGJSTWLXHMO-NQZOLGFYSA-N 2 2 290.838 3.079 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631275 809022876 /nfs/dbraw/zinc/02/28/76/809022876.db2.gz VFSXGJSTWLXHMO-NQZOLGFYSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631275 809022880 /nfs/dbraw/zinc/02/28/80/809022880.db2.gz VFSXGJSTWLXHMO-NQZOLGFYSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631275 809022889 /nfs/dbraw/zinc/02/28/89/809022889.db2.gz VFSXGJSTWLXHMO-NQZOLGFYSA-N 2 2 290.838 3.079 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882617 809039850 /nfs/dbraw/zinc/03/98/50/809039850.db2.gz ZFAIUYJFPACJSA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882617 809039857 /nfs/dbraw/zinc/03/98/57/809039857.db2.gz ZFAIUYJFPACJSA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882617 809039866 /nfs/dbraw/zinc/03/98/66/809039866.db2.gz ZFAIUYJFPACJSA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882617 809039872 /nfs/dbraw/zinc/03/98/72/809039872.db2.gz ZFAIUYJFPACJSA-SFHVURJKSA-N 2 2 289.467 3.230 20 0 CGADLP CCc1ccc[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816235 809169767 /nfs/dbraw/zinc/16/97/67/809169767.db2.gz QLZSOWTZNKQVCI-UHFFFAOYSA-N 2 2 296.418 3.139 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882948 809563911 /nfs/dbraw/zinc/56/39/11/809563911.db2.gz MLUVGPAUSOMZRZ-HZPDHXFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882948 809563913 /nfs/dbraw/zinc/56/39/13/809563913.db2.gz MLUVGPAUSOMZRZ-HZPDHXFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001175882948 809563916 /nfs/dbraw/zinc/56/39/16/809563916.db2.gz MLUVGPAUSOMZRZ-HZPDHXFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC(C)(C)CC1 ZINC001175882948 809563918 /nfs/dbraw/zinc/56/39/18/809563918.db2.gz MLUVGPAUSOMZRZ-HZPDHXFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001178640516 809881413 /nfs/dbraw/zinc/88/14/13/809881413.db2.gz WKKYTPDFDWAQQJ-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001178640516 809881419 /nfs/dbraw/zinc/88/14/19/809881419.db2.gz WKKYTPDFDWAQQJ-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001179177266 809908695 /nfs/dbraw/zinc/90/86/95/809908695.db2.gz CUFYSMZSHHVRSY-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001179177266 809908698 /nfs/dbraw/zinc/90/86/98/809908698.db2.gz CUFYSMZSHHVRSY-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001183146350 810137959 /nfs/dbraw/zinc/13/79/59/810137959.db2.gz TZMWLXBXVDQVTH-JONQDZQNSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001183146350 810137960 /nfs/dbraw/zinc/13/79/60/810137960.db2.gz TZMWLXBXVDQVTH-JONQDZQNSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC001183498541 810150452 /nfs/dbraw/zinc/15/04/52/810150452.db2.gz GKEYFKDLIBUKRW-QAPCUYQASA-N 2 2 292.386 3.370 20 0 CGADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC001198970296 811553167 /nfs/dbraw/zinc/55/31/67/811553167.db2.gz VXVHABSIKYLBJD-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001203318883 812311031 /nfs/dbraw/zinc/31/10/31/812311031.db2.gz LEKMCTDLZDZLLW-INIZCTEOSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001203318883 812311042 /nfs/dbraw/zinc/31/10/42/812311042.db2.gz LEKMCTDLZDZLLW-INIZCTEOSA-N 2 2 268.360 3.043 20 0 CGADLP CCc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001203326126 812312101 /nfs/dbraw/zinc/31/21/01/812312101.db2.gz AEEKKIDBYASLLF-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001203326126 812312105 /nfs/dbraw/zinc/31/21/05/812312105.db2.gz AEEKKIDBYASLLF-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CCO[C@@H](C[NH2+]Cc1c(C)cc(Cl)cc1C)C[NH+](C)C ZINC001203634093 812412635 /nfs/dbraw/zinc/41/26/35/812412635.db2.gz PVXHSFIASAAXKH-HNNXBMFYSA-N 2 2 298.858 3.013 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989224 812511051 /nfs/dbraw/zinc/51/10/51/812511051.db2.gz ZUQXGLDCIWBTOP-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989224 812511056 /nfs/dbraw/zinc/51/10/56/812511056.db2.gz ZUQXGLDCIWBTOP-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989224 812511057 /nfs/dbraw/zinc/51/10/57/812511057.db2.gz ZUQXGLDCIWBTOP-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989224 812511060 /nfs/dbraw/zinc/51/10/60/812511060.db2.gz ZUQXGLDCIWBTOP-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001204310450 812607701 /nfs/dbraw/zinc/60/77/01/812607701.db2.gz QYBQYSUNKZSPCY-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001204310450 812607703 /nfs/dbraw/zinc/60/77/03/812607703.db2.gz QYBQYSUNKZSPCY-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[NH+](C)Cc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC001204632128 812696400 /nfs/dbraw/zinc/69/64/00/812696400.db2.gz UBGWMTNEUIQTPW-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204800835 812740168 /nfs/dbraw/zinc/74/01/68/812740168.db2.gz HHOSMGCTQUGWEF-IBGZPJMESA-N 2 2 296.414 3.189 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204800835 812740174 /nfs/dbraw/zinc/74/01/74/812740174.db2.gz HHOSMGCTQUGWEF-IBGZPJMESA-N 2 2 296.414 3.189 20 0 CGADLP CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC001204933881 812784009 /nfs/dbraw/zinc/78/40/09/812784009.db2.gz YAFKIJZKUYENBG-LJQANCHMSA-N 2 2 297.446 3.219 20 0 CGADLP CN(C)c1ccc2cc(C[N@H+]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC001204933881 812784014 /nfs/dbraw/zinc/78/40/14/812784014.db2.gz YAFKIJZKUYENBG-LJQANCHMSA-N 2 2 297.446 3.219 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCc1ccccc1Cl ZINC001205064629 812842457 /nfs/dbraw/zinc/84/24/57/812842457.db2.gz SZEGJJXNAZMSGT-JSGCOSHPSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCc1ccccc1Cl ZINC001205064629 812842460 /nfs/dbraw/zinc/84/24/60/812842460.db2.gz SZEGJJXNAZMSGT-JSGCOSHPSA-N 2 2 266.816 3.084 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC001205183207 812900042 /nfs/dbraw/zinc/90/00/42/812900042.db2.gz XPWKLYHGNRPFGB-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC001205183207 812900048 /nfs/dbraw/zinc/90/00/48/812900048.db2.gz XPWKLYHGNRPFGB-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001205325150 812956583 /nfs/dbraw/zinc/95/65/83/812956583.db2.gz KIYUBATZWLLXNZ-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001205325150 812956584 /nfs/dbraw/zinc/95/65/84/812956584.db2.gz KIYUBATZWLLXNZ-ZDUSSCGKSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205332513 812959240 /nfs/dbraw/zinc/95/92/40/812959240.db2.gz QQOKQXFAIYHXSY-CYBMUJFWSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001205332513 812959249 /nfs/dbraw/zinc/95/92/49/812959249.db2.gz QQOKQXFAIYHXSY-CYBMUJFWSA-N 2 2 287.382 3.005 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205331798 812959449 /nfs/dbraw/zinc/95/94/49/812959449.db2.gz JOCNOJOQHDCSFH-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+]3CC[NH2+]CC[C@H]3C)c2)cc1 ZINC001205331798 812959450 /nfs/dbraw/zinc/95/94/50/812959450.db2.gz JOCNOJOQHDCSFH-MRXNPFEDSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787800 813077936 /nfs/dbraw/zinc/07/79/36/813077936.db2.gz JAPBLUSYHNRIFP-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205787800 813077946 /nfs/dbraw/zinc/07/79/46/813077946.db2.gz JAPBLUSYHNRIFP-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205816228 813091952 /nfs/dbraw/zinc/09/19/52/813091952.db2.gz KQYUYZAFSSROLU-SMDDNHRTSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205816228 813091960 /nfs/dbraw/zinc/09/19/60/813091960.db2.gz KQYUYZAFSSROLU-SMDDNHRTSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205817736 813093911 /nfs/dbraw/zinc/09/39/11/813093911.db2.gz QQFCYCCNPFQRFD-YOEHRIQHSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2nc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205817736 813093925 /nfs/dbraw/zinc/09/39/25/813093925.db2.gz QQFCYCCNPFQRFD-YOEHRIQHSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205829022 813100250 /nfs/dbraw/zinc/10/02/50/813100250.db2.gz NSHQRMGDQZHHIY-BBRMVZONSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205829022 813100253 /nfs/dbraw/zinc/10/02/53/813100253.db2.gz NSHQRMGDQZHHIY-BBRMVZONSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205888435 813120442 /nfs/dbraw/zinc/12/04/42/813120442.db2.gz GBEYAIJPRVEEAT-ACJLOTCBSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205888435 813120448 /nfs/dbraw/zinc/12/04/48/813120448.db2.gz GBEYAIJPRVEEAT-ACJLOTCBSA-N 2 2 290.451 3.260 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916245 813132845 /nfs/dbraw/zinc/13/28/45/813132845.db2.gz UAYAOLSZIQKIGZ-MWLCHTKSSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916245 813132850 /nfs/dbraw/zinc/13/28/50/813132850.db2.gz UAYAOLSZIQKIGZ-MWLCHTKSSA-N 2 2 292.370 3.326 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206198182 813236049 /nfs/dbraw/zinc/23/60/49/813236049.db2.gz LJBOKPUPUHRANN-STQMWFEESA-N 2 2 288.769 3.049 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206198182 813236054 /nfs/dbraw/zinc/23/60/54/813236054.db2.gz LJBOKPUPUHRANN-STQMWFEESA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(C[N@H+]2CCC[NH2+]C[C@@H]2C)cnc1-c1ccccc1 ZINC001206269879 813265824 /nfs/dbraw/zinc/26/58/24/813265824.db2.gz XCFACCPEVZSOHC-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cnc1-c1ccccc1 ZINC001206269879 813265829 /nfs/dbraw/zinc/26/58/29/813265829.db2.gz XCFACCPEVZSOHC-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP C1C([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC12CCCC2 ZINC001206477627 813330411 /nfs/dbraw/zinc/33/04/11/813330411.db2.gz PZRNXQXPESEHFZ-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C1C([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC12CCCC2 ZINC001206477627 813330415 /nfs/dbraw/zinc/33/04/15/813330415.db2.gz PZRNXQXPESEHFZ-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001206477832 813331029 /nfs/dbraw/zinc/33/10/29/813331029.db2.gz QQVXWBVPQUTPPQ-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001206477832 813331036 /nfs/dbraw/zinc/33/10/36/813331036.db2.gz QQVXWBVPQUTPPQ-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1F ZINC001206549367 813349872 /nfs/dbraw/zinc/34/98/72/813349872.db2.gz MAHQSCDBCQFNQX-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1F ZINC001206549367 813349879 /nfs/dbraw/zinc/34/98/79/813349879.db2.gz MAHQSCDBCQFNQX-INIZCTEOSA-N 2 2 282.378 3.224 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001206712228 813405220 /nfs/dbraw/zinc/40/52/20/813405220.db2.gz XUUFMVBLCDTLIM-UHFFFAOYSA-N 2 2 282.387 3.260 20 0 CGADLP CC1=CC[C@H](CC[N@@H+]2CCn3c(C)[nH+]cc3C2)C1(C)C ZINC001207267620 813526382 /nfs/dbraw/zinc/52/63/82/813526382.db2.gz GNIBTTMQOCDODF-OAHLLOKOSA-N 2 2 273.424 3.390 20 0 CGADLP CC1=CC[C@H](CC[N@H+]2CCn3c(C)[nH+]cc3C2)C1(C)C ZINC001207267620 813526388 /nfs/dbraw/zinc/52/63/88/813526388.db2.gz GNIBTTMQOCDODF-OAHLLOKOSA-N 2 2 273.424 3.390 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001207603378 813608279 /nfs/dbraw/zinc/60/82/79/813608279.db2.gz IKRJKWGEWIWOGK-RHSMWYFYSA-N 2 2 260.425 3.035 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001207603378 813608285 /nfs/dbraw/zinc/60/82/85/813608285.db2.gz IKRJKWGEWIWOGK-RHSMWYFYSA-N 2 2 260.425 3.035 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC001207823936 813656904 /nfs/dbraw/zinc/65/69/04/813656904.db2.gz NUWIAEHWVGVZOS-MSOLQXFVSA-N 2 2 295.430 3.403 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171742 813726393 /nfs/dbraw/zinc/72/63/93/813726393.db2.gz XBJQFGKNGFKCEG-OWSLCNJRSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171742 813726396 /nfs/dbraw/zinc/72/63/96/813726396.db2.gz XBJQFGKNGFKCEG-OWSLCNJRSA-N 2 2 294.458 3.487 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612712 813773591 /nfs/dbraw/zinc/77/35/91/813773591.db2.gz NIOJYYHZJBKFCY-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612712 813773597 /nfs/dbraw/zinc/77/35/97/813773597.db2.gz NIOJYYHZJBKFCY-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612712 813773603 /nfs/dbraw/zinc/77/36/03/813773603.db2.gz NIOJYYHZJBKFCY-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612712 813773610 /nfs/dbraw/zinc/77/36/10/813773610.db2.gz NIOJYYHZJBKFCY-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)OCc1ccccc1 ZINC001208702594 813805287 /nfs/dbraw/zinc/80/52/87/813805287.db2.gz NFCOUPXASNPFKF-INIZCTEOSA-N 2 2 299.418 3.125 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC001210497088 814490364 /nfs/dbraw/zinc/49/03/64/814490364.db2.gz KPRKATBHJDIPOY-CQSZACIVSA-N 2 2 270.376 3.130 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[NH2+]1 ZINC001210497088 814490369 /nfs/dbraw/zinc/49/03/69/814490369.db2.gz KPRKATBHJDIPOY-CQSZACIVSA-N 2 2 270.376 3.130 20 0 CGADLP CCC(C)(C)c1ccc(C[NH+]2CC(C[NH2+]C)C2)cc1 ZINC001210561484 814526501 /nfs/dbraw/zinc/52/65/01/814526501.db2.gz MVYUELMRSWIXEC-UHFFFAOYSA-N 2 2 260.425 3.025 20 0 CGADLP Cc1cccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210704487 814588118 /nfs/dbraw/zinc/58/81/18/814588118.db2.gz JIACHIBMYGMGGM-OAHLLOKOSA-N 2 2 257.381 3.334 20 0 CGADLP CN(C)c1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001210704622 814588586 /nfs/dbraw/zinc/58/85/86/814588586.db2.gz LDMAXUJXFMPVGS-MRXNPFEDSA-N 2 2 286.423 3.092 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc(C)[nH+]c2C)c1F ZINC001216218610 815740940 /nfs/dbraw/zinc/74/09/40/815740940.db2.gz GKPRZNBJFMSSEO-UHFFFAOYSA-N 2 2 259.328 3.301 20 0 CGADLP CNc1cc(Nc2cccc(-n3cc[nH+]c3)c2)cc[nH+]1 ZINC001216334663 815788174 /nfs/dbraw/zinc/78/81/74/815788174.db2.gz NFLUUBDUJWICTL-UHFFFAOYSA-N 2 2 265.320 3.053 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2cc[nH+]c(NC)c2)cc1 ZINC001216337670 815789574 /nfs/dbraw/zinc/78/95/74/815789574.db2.gz NXQRFXLGHCUWND-UHFFFAOYSA-N 2 2 256.353 3.323 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2cc[nH+]c(NC)c2)cc1 ZINC001216337670 815789578 /nfs/dbraw/zinc/78/95/78/815789578.db2.gz NXQRFXLGHCUWND-UHFFFAOYSA-N 2 2 256.353 3.323 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259614 816389131 /nfs/dbraw/zinc/38/91/31/816389131.db2.gz UYHKVPONIQJPAR-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222259614 816389137 /nfs/dbraw/zinc/38/91/37/816389137.db2.gz UYHKVPONIQJPAR-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265755 816391637 /nfs/dbraw/zinc/39/16/37/816391637.db2.gz XKMSGPGUXYMYRZ-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(Cl)c1 ZINC001222265755 816391643 /nfs/dbraw/zinc/39/16/43/816391643.db2.gz XKMSGPGUXYMYRZ-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1F ZINC001222293322 816399266 /nfs/dbraw/zinc/39/92/66/816399266.db2.gz USJLHVBMTUXRJJ-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)cccc2n1 ZINC001222360172 816419235 /nfs/dbraw/zinc/41/92/35/816419235.db2.gz ILHDFEKUIJICCE-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)cccc2n1 ZINC001222360172 816419237 /nfs/dbraw/zinc/41/92/37/816419237.db2.gz ILHDFEKUIJICCE-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2ccccc21 ZINC001222385621 816426387 /nfs/dbraw/zinc/42/63/87/816426387.db2.gz RTFDOKULZSCNER-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c2ccccc21 ZINC001222385621 816426391 /nfs/dbraw/zinc/42/63/91/816426391.db2.gz RTFDOKULZSCNER-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP [NH3+][C@H](C[N@@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC001222401090 816433292 /nfs/dbraw/zinc/43/32/92/816433292.db2.gz PSNCXAHDHMFPCF-MRXNPFEDSA-N 2 2 258.409 3.343 20 0 CGADLP [NH3+][C@H](C[N@H+]1CCCC2(CCCC2)C1)c1ccccc1 ZINC001222401090 816433297 /nfs/dbraw/zinc/43/32/97/816433297.db2.gz PSNCXAHDHMFPCF-MRXNPFEDSA-N 2 2 258.409 3.343 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(-n3cc[nH+]c3)cc2OC)c1 ZINC001242999743 823206379 /nfs/dbraw/zinc/20/63/79/823206379.db2.gz VNNQTFNBWJYQAY-UHFFFAOYSA-N 2 2 293.370 3.267 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(-c3c[nH+]cn3C)cc2)cc1 ZINC001242994041 823202581 /nfs/dbraw/zinc/20/25/81/823202581.db2.gz NQRQETXIROSZNF-UHFFFAOYSA-N 2 2 277.371 3.474 20 0 CGADLP COCc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001232304281 818309781 /nfs/dbraw/zinc/30/97/81/818309781.db2.gz YLJGACIZOBZOCE-UHFFFAOYSA-N 2 2 290.451 3.138 20 0 CGADLP COCc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001232304281 818309788 /nfs/dbraw/zinc/30/97/88/818309788.db2.gz YLJGACIZOBZOCE-UHFFFAOYSA-N 2 2 290.451 3.138 20 0 CGADLP C[N@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232610117 818395712 /nfs/dbraw/zinc/39/57/12/818395712.db2.gz IDINQIGIOCMAGM-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP C[N@@H+](Cc1ccc2ccsc2c1)C1CC[NH+](C)CC1 ZINC001232610117 818395718 /nfs/dbraw/zinc/39/57/18/818395718.db2.gz IDINQIGIOCMAGM-UHFFFAOYSA-N 2 2 274.433 3.427 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001233008394 818500055 /nfs/dbraw/zinc/50/00/55/818500055.db2.gz AGSLMIJJWWPDGA-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001233008394 818500061 /nfs/dbraw/zinc/50/00/61/818500061.db2.gz AGSLMIJJWWPDGA-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)ccc1C ZINC001233250979 818554832 /nfs/dbraw/zinc/55/48/32/818554832.db2.gz IDOPUTIKGCFYNM-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)ccc1C ZINC001233250979 818554838 /nfs/dbraw/zinc/55/48/38/818554838.db2.gz IDOPUTIKGCFYNM-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1cnsc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233320840 818578466 /nfs/dbraw/zinc/57/84/66/818578466.db2.gz PJJOTYFHAOFDGX-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1cnsc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001233320840 818578469 /nfs/dbraw/zinc/57/84/69/818578469.db2.gz PJJOTYFHAOFDGX-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016226 818978918 /nfs/dbraw/zinc/97/89/18/818978918.db2.gz DHONFALRNJAXCX-XOSAIJSUSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235016226 818978921 /nfs/dbraw/zinc/97/89/21/818978921.db2.gz DHONFALRNJAXCX-XOSAIJSUSA-N 2 2 290.838 3.127 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235047160 818989924 /nfs/dbraw/zinc/98/99/24/818989924.db2.gz SLAYLCWLLLNWGW-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1F ZINC001235047160 818989932 /nfs/dbraw/zinc/98/99/32/818989932.db2.gz SLAYLCWLLLNWGW-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110208 819005709 /nfs/dbraw/zinc/00/57/09/819005709.db2.gz JKRCIWQUEYZAEV-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110208 819005714 /nfs/dbraw/zinc/00/57/14/819005714.db2.gz JKRCIWQUEYZAEV-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235123262 819012299 /nfs/dbraw/zinc/01/22/99/819012299.db2.gz ZKMYTVFOBAPXER-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235123262 819012304 /nfs/dbraw/zinc/01/23/04/819012304.db2.gz ZKMYTVFOBAPXER-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235191061 819030274 /nfs/dbraw/zinc/03/02/74/819030274.db2.gz OXWMOLBVLAVNGR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCCC23CC[NH2+]CC3)c1F ZINC001235191061 819030278 /nfs/dbraw/zinc/03/02/78/819030278.db2.gz OXWMOLBVLAVNGR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892056 819199942 /nfs/dbraw/zinc/19/99/42/819199942.db2.gz LBKTYFIHPQCYSQ-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c2ccccc12 ZINC001235892056 819199944 /nfs/dbraw/zinc/19/99/44/819199944.db2.gz LBKTYFIHPQCYSQ-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892229 819201830 /nfs/dbraw/zinc/20/18/30/819201830.db2.gz MZQLSPSNHBFAJG-GDBMZVCRSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892229 819201836 /nfs/dbraw/zinc/20/18/36/819201836.db2.gz MZQLSPSNHBFAJG-GDBMZVCRSA-N 2 2 276.424 3.177 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2c1 ZINC001235901745 819211768 /nfs/dbraw/zinc/21/17/68/819211768.db2.gz DWNQGGUANCCBPK-AAEUAGOBSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)cc2c1 ZINC001235901745 819211771 /nfs/dbraw/zinc/21/17/71/819211771.db2.gz DWNQGGUANCCBPK-AAEUAGOBSA-N 2 2 290.432 3.222 20 0 CGADLP Cc1c(F)ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235956233 819243860 /nfs/dbraw/zinc/24/38/60/819243860.db2.gz AWPCEZIOOYFDLP-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1c(F)ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235956233 819243863 /nfs/dbraw/zinc/24/38/63/819243863.db2.gz AWPCEZIOOYFDLP-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP C[N@@H+](Cc1ccccc1Oc1ccccc1)CC1C[NH2+]C1 ZINC001235968521 819253482 /nfs/dbraw/zinc/25/34/82/819253482.db2.gz IAAYHCLFISFQRO-UHFFFAOYSA-N 2 2 282.387 3.130 20 0 CGADLP C[N@H+](Cc1ccccc1Oc1ccccc1)CC1C[NH2+]C1 ZINC001235968521 819253485 /nfs/dbraw/zinc/25/34/85/819253485.db2.gz IAAYHCLFISFQRO-UHFFFAOYSA-N 2 2 282.387 3.130 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985509 819259831 /nfs/dbraw/zinc/25/98/31/819259831.db2.gz CDYLJLPFIQTVTR-YOEHRIQHSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985509 819259838 /nfs/dbraw/zinc/25/98/38/819259838.db2.gz CDYLJLPFIQTVTR-YOEHRIQHSA-N 2 2 284.428 3.338 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235989912 819261652 /nfs/dbraw/zinc/26/16/52/819261652.db2.gz FARNCXDSJAIPMY-QAPCUYQASA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235989912 819261655 /nfs/dbraw/zinc/26/16/55/819261655.db2.gz FARNCXDSJAIPMY-QAPCUYQASA-N 2 2 288.435 3.014 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047540 819285223 /nfs/dbraw/zinc/28/52/23/819285223.db2.gz MFEMCWXSZLSAAW-KDOFPFPSSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236047540 819285227 /nfs/dbraw/zinc/28/52/27/819285227.db2.gz MFEMCWXSZLSAAW-KDOFPFPSSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052066 819288571 /nfs/dbraw/zinc/28/85/71/819288571.db2.gz ZQTQFGHHPGZNPM-BBRMVZONSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052066 819288576 /nfs/dbraw/zinc/28/85/76/819288576.db2.gz ZQTQFGHHPGZNPM-BBRMVZONSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052069 819288709 /nfs/dbraw/zinc/28/87/09/819288709.db2.gz ZQTQFGHHPGZNPM-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052069 819288712 /nfs/dbraw/zinc/28/87/12/819288712.db2.gz ZQTQFGHHPGZNPM-CZUORRHYSA-N 2 2 260.425 3.153 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccccc1-c1cccs1 ZINC001236143899 819344067 /nfs/dbraw/zinc/34/40/67/819344067.db2.gz MMWHTHGQGQGTIO-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1cccs1 ZINC001236143899 819344074 /nfs/dbraw/zinc/34/40/74/819344074.db2.gz MMWHTHGQGQGTIO-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1ccc(F)c2ccccc12 ZINC001236142826 819344312 /nfs/dbraw/zinc/34/43/12/819344312.db2.gz FDQHZTAHJTYQAT-UHFFFAOYSA-N 2 2 260.356 3.020 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1ccc(F)c2ccccc12 ZINC001236142826 819344318 /nfs/dbraw/zinc/34/43/18/819344318.db2.gz FDQHZTAHJTYQAT-UHFFFAOYSA-N 2 2 260.356 3.020 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236167513 819352609 /nfs/dbraw/zinc/35/26/09/819352609.db2.gz BRFJJIGXDDJIIA-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001236167513 819352614 /nfs/dbraw/zinc/35/26/14/819352614.db2.gz BRFJJIGXDDJIIA-QGZVFWFLSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236172657 819355137 /nfs/dbraw/zinc/35/51/37/819355137.db2.gz JDTWWEBTAFTERB-INIZCTEOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236172657 819355143 /nfs/dbraw/zinc/35/51/43/819355143.db2.gz JDTWWEBTAFTERB-INIZCTEOSA-N 2 2 270.351 3.026 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204784 819367126 /nfs/dbraw/zinc/36/71/26/819367126.db2.gz BZAIRQLJTDZLTJ-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204784 819367129 /nfs/dbraw/zinc/36/71/29/819367129.db2.gz BZAIRQLJTDZLTJ-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236205330 819367989 /nfs/dbraw/zinc/36/79/89/819367989.db2.gz DLFAWWHLNSOCEF-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236205330 819367996 /nfs/dbraw/zinc/36/79/96/819367996.db2.gz DLFAWWHLNSOCEF-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236208540 819370512 /nfs/dbraw/zinc/37/05/12/819370512.db2.gz SCYYKKGUNSSNTO-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236208540 819370515 /nfs/dbraw/zinc/37/05/15/819370515.db2.gz SCYYKKGUNSSNTO-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236219652 819385692 /nfs/dbraw/zinc/38/56/92/819385692.db2.gz XFPMMCVUSKTWLT-HUUCEWRRSA-N 2 2 296.842 3.440 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236219652 819385700 /nfs/dbraw/zinc/38/57/00/819385700.db2.gz XFPMMCVUSKTWLT-HUUCEWRRSA-N 2 2 296.842 3.440 20 0 CGADLP Cc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(F)cc1Cl ZINC001236228293 819392381 /nfs/dbraw/zinc/39/23/81/819392381.db2.gz SKOQLKFFVXXJTL-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(F)cc1Cl ZINC001236228293 819392390 /nfs/dbraw/zinc/39/23/90/819392390.db2.gz SKOQLKFFVXXJTL-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237095 819397193 /nfs/dbraw/zinc/39/71/93/819397193.db2.gz OSTINGKQJUHZMR-HNNXBMFYSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236237095 819397197 /nfs/dbraw/zinc/39/71/97/819397197.db2.gz OSTINGKQJUHZMR-HNNXBMFYSA-N 2 2 283.419 3.193 20 0 CGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236241062 819401673 /nfs/dbraw/zinc/40/16/73/819401673.db2.gz QPNQLTJFMPJPAK-MRXNPFEDSA-N 2 2 288.435 3.028 20 0 CGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236241062 819401674 /nfs/dbraw/zinc/40/16/74/819401674.db2.gz QPNQLTJFMPJPAK-MRXNPFEDSA-N 2 2 288.435 3.028 20 0 CGADLP COC(C)(C)CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270795 819411457 /nfs/dbraw/zinc/41/14/57/819411457.db2.gz WDCPJGZPHPXOLH-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP COC(C)(C)CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270795 819411462 /nfs/dbraw/zinc/41/14/62/819411462.db2.gz WDCPJGZPHPXOLH-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CS[C@H](C)CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269321 819411507 /nfs/dbraw/zinc/41/15/07/819411507.db2.gz KECAYMZVYNYCSN-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CS[C@H](C)CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269321 819411511 /nfs/dbraw/zinc/41/15/11/819411511.db2.gz KECAYMZVYNYCSN-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388549 819446034 /nfs/dbraw/zinc/44/60/34/819446034.db2.gz LYJOTJUHPWQMNH-UKPHBRMFSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388549 819446039 /nfs/dbraw/zinc/44/60/39/819446039.db2.gz LYJOTJUHPWQMNH-UKPHBRMFSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419189 819466266 /nfs/dbraw/zinc/46/62/66/819466266.db2.gz HIYNZZRZHWGLAA-YVEFUNNKSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419189 819466269 /nfs/dbraw/zinc/46/62/69/819466269.db2.gz HIYNZZRZHWGLAA-YVEFUNNKSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001236420818 819466785 /nfs/dbraw/zinc/46/67/85/819466785.db2.gz OKHFCIGJDINWJU-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001236420818 819466789 /nfs/dbraw/zinc/46/67/89/819466789.db2.gz OKHFCIGJDINWJU-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001236422031 819468857 /nfs/dbraw/zinc/46/88/57/819468857.db2.gz XTELCBATRLXJAL-SJKOYZFVSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001236422031 819468861 /nfs/dbraw/zinc/46/88/61/819468861.db2.gz XTELCBATRLXJAL-SJKOYZFVSA-N 2 2 272.367 3.291 20 0 CGADLP COc1ccc(C)cc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477838 819495610 /nfs/dbraw/zinc/49/56/10/819495610.db2.gz PCRCKKGOQUYPPO-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP COc1ccc(C)cc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477838 819495613 /nfs/dbraw/zinc/49/56/13/819495613.db2.gz PCRCKKGOQUYPPO-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2ccc[nH+]c2N)ccc1OC ZINC001243476316 823414800 /nfs/dbraw/zinc/41/48/00/823414800.db2.gz BALQTROKHSXGJX-UHFFFAOYSA-N 2 2 285.391 3.181 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001243474632 823414884 /nfs/dbraw/zinc/41/48/84/823414884.db2.gz YVMNOQVYLKOYAM-IAGOWNOFSA-N 2 2 297.402 3.117 20 0 CGADLP C[NH+]1CCC(c2cccc(-c3ccc[nH+]c3N)c2)CC1 ZINC001243477353 823415474 /nfs/dbraw/zinc/41/54/74/823415474.db2.gz LFVJHDSLKXSBOP-UHFFFAOYSA-N 2 2 267.376 3.140 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC001236865724 819626652 /nfs/dbraw/zinc/62/66/52/819626652.db2.gz MVXMXJQZGYZHIW-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC001236865724 819626655 /nfs/dbraw/zinc/62/66/55/819626655.db2.gz MVXMXJQZGYZHIW-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+](C)C[C@H](C)[NH3+])c2)cc1 ZINC001236895198 819633800 /nfs/dbraw/zinc/63/38/00/819633800.db2.gz NOPHRPUGJTUSAI-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+](C)C[C@H](C)[NH3+])c2)cc1 ZINC001236895198 819633804 /nfs/dbraw/zinc/63/38/04/819633804.db2.gz NOPHRPUGJTUSAI-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913753 819636323 /nfs/dbraw/zinc/63/63/23/819636323.db2.gz MLEXSRKIDSPWJJ-LBPRGKRZSA-N 2 2 275.783 3.368 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913753 819636326 /nfs/dbraw/zinc/63/63/26/819636326.db2.gz MLEXSRKIDSPWJJ-LBPRGKRZSA-N 2 2 275.783 3.368 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236912679 819637352 /nfs/dbraw/zinc/63/73/52/819637352.db2.gz DSYIDACSEQCGMT-UHFFFAOYSA-N 2 2 275.783 3.368 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)CC1CC1 ZINC001236912679 819637356 /nfs/dbraw/zinc/63/73/56/819637356.db2.gz DSYIDACSEQCGMT-UHFFFAOYSA-N 2 2 275.783 3.368 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1ccc(F)cc1 ZINC001237020816 819644670 /nfs/dbraw/zinc/64/46/70/819644670.db2.gz YQYWUOSCDHKKLQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CCCc1ccc(F)cc1 ZINC001237020816 819644673 /nfs/dbraw/zinc/64/46/73/819644673.db2.gz YQYWUOSCDHKKLQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP CC[NH2+]CC[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266117 819712000 /nfs/dbraw/zinc/71/20/00/819712000.db2.gz UGCXFYHZJQTYLC-MRXNPFEDSA-N 2 2 290.451 3.263 20 0 CGADLP CC[NH2+]CC[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266117 819712006 /nfs/dbraw/zinc/71/20/06/819712006.db2.gz UGCXFYHZJQTYLC-MRXNPFEDSA-N 2 2 290.451 3.263 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414114 819747562 /nfs/dbraw/zinc/74/75/62/819747562.db2.gz KMPVJYWZCODUKE-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237414114 819747565 /nfs/dbraw/zinc/74/75/65/819747565.db2.gz KMPVJYWZCODUKE-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP COc1c(C)cccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237506419 819767730 /nfs/dbraw/zinc/76/77/30/819767730.db2.gz ZEWKWRKFYFGTLU-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1c(C)cccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001237506419 819767735 /nfs/dbraw/zinc/76/77/35/819767735.db2.gz ZEWKWRKFYFGTLU-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C ZINC001238078446 819926417 /nfs/dbraw/zinc/92/64/17/819926417.db2.gz YTVROGKXZILSNJ-UHFFFAOYSA-N 2 2 299.418 3.427 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@H]2C1 ZINC001238516271 820034405 /nfs/dbraw/zinc/03/44/05/820034405.db2.gz LUXGCYFPMCGAIO-HZPDHXFCSA-N 2 2 288.410 3.087 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)cnc1SC ZINC001238721111 820101302 /nfs/dbraw/zinc/10/13/02/820101302.db2.gz SMRKLFIFCQPTJR-UHFFFAOYSA-N 2 2 295.496 3.276 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cnc1SC ZINC001238721111 820101306 /nfs/dbraw/zinc/10/13/06/820101306.db2.gz SMRKLFIFCQPTJR-UHFFFAOYSA-N 2 2 295.496 3.276 20 0 CGADLP COc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1C ZINC001238994778 820187879 /nfs/dbraw/zinc/18/78/79/820187879.db2.gz BZKMQMMQDHKSLH-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1C ZINC001238994778 820187883 /nfs/dbraw/zinc/18/78/83/820187883.db2.gz BZKMQMMQDHKSLH-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)n1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239078414 820214638 /nfs/dbraw/zinc/21/46/38/820214638.db2.gz OLJVLXBTYSKVGK-GOSISDBHSA-N 2 2 283.419 3.269 20 0 CGADLP CC(C)n1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239078414 820214645 /nfs/dbraw/zinc/21/46/45/820214645.db2.gz OLJVLXBTYSKVGK-GOSISDBHSA-N 2 2 283.419 3.269 20 0 CGADLP CCOc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001239565762 820417770 /nfs/dbraw/zinc/41/77/70/820417770.db2.gz NIUVOUOZBOZUJY-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001239565762 820417772 /nfs/dbraw/zinc/41/77/72/820417772.db2.gz NIUVOUOZBOZUJY-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239742071 820564359 /nfs/dbraw/zinc/56/43/59/820564359.db2.gz SVDLLKLTVCKNQY-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239742071 820564362 /nfs/dbraw/zinc/56/43/62/820564362.db2.gz SVDLLKLTVCKNQY-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP [NH3+]C1(c2cccc(-c3ccn4cc[nH+]c4c3)c2)CCC1 ZINC001240513385 821109263 /nfs/dbraw/zinc/10/92/63/821109263.db2.gz OZQLWMRRWDRNGS-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP CC[NH+](CC)Cc1cc(OC)ccc1-c1cc[nH+]c(N)c1 ZINC001241176249 821618403 /nfs/dbraw/zinc/61/84/03/821618403.db2.gz WWJQQYRPRXKAAO-UHFFFAOYSA-N 2 2 285.391 3.181 20 0 CGADLP COc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241681842 822064330 /nfs/dbraw/zinc/06/43/30/822064330.db2.gz OOORZLDESIUVPG-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241681842 822064339 /nfs/dbraw/zinc/06/43/39/822064339.db2.gz OOORZLDESIUVPG-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccc([C@@H](C)N3CC[NH2+]CC3)cc2)cc(C)[nH+]1 ZINC001241996686 822266759 /nfs/dbraw/zinc/26/67/59/822266759.db2.gz YSFBHGGKZPKTIH-MRXNPFEDSA-N 2 2 295.430 3.332 20 0 CGADLP CCOC(=[NH2+])c1cccc(-c2c[nH+]c(N)cc2C)c1 ZINC001242090907 822345278 /nfs/dbraw/zinc/34/52/78/822345278.db2.gz VPWHKFIHOXKMAK-UHFFFAOYSA-N 2 2 255.321 3.001 20 0 CGADLP CNc1cc(-c2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC001242122025 822884990 /nfs/dbraw/zinc/88/49/90/822884990.db2.gz HFIFZZRJLAHVRS-UHFFFAOYSA-N 2 2 267.376 3.386 20 0 CGADLP CCCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328355202 935131582 /nfs/dbraw/zinc/13/15/82/935131582.db2.gz CIHYTCGEMQLKCI-UHFFFAOYSA-N 2 2 286.379 3.485 20 0 CGADLP CCc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]c1 ZINC001354110412 937090080 /nfs/dbraw/zinc/09/00/80/937090080.db2.gz PTSUMTCUWSYMKH-INIZCTEOSA-N 2 2 273.424 3.099 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(Br)c1 ZINC000399032491 926755162 /nfs/dbraw/zinc/75/51/62/926755162.db2.gz MLERZLBVDIDCCM-WDMOLILDSA-N 2 2 297.240 3.240 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460561332 937535413 /nfs/dbraw/zinc/53/54/13/937535413.db2.gz OQEQBBACZOWXNM-XUWVNRHRSA-N 2 2 278.827 3.283 20 0 CGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001460561332 937535415 /nfs/dbraw/zinc/53/54/15/937535415.db2.gz OQEQBBACZOWXNM-XUWVNRHRSA-N 2 2 278.827 3.283 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC001460977221 937557373 /nfs/dbraw/zinc/55/73/73/937557373.db2.gz WRJSHRIACLUQKX-HNNXBMFYSA-N 2 2 298.434 3.413 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC001460977221 937557375 /nfs/dbraw/zinc/55/73/75/937557375.db2.gz WRJSHRIACLUQKX-HNNXBMFYSA-N 2 2 298.434 3.413 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC001461037987 937561049 /nfs/dbraw/zinc/56/10/49/937561049.db2.gz DNPKLMSADDFYMM-HOTGVXAUSA-N 2 2 271.408 3.130 20 0 CGADLP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001461636495 937590080 /nfs/dbraw/zinc/59/00/80/937590080.db2.gz GBSXQFINOTYXRQ-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001461636495 937590083 /nfs/dbraw/zinc/59/00/83/937590083.db2.gz GBSXQFINOTYXRQ-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)[NH+]1CCC(Oc2ccc(-c3c[nH+]cn3C)cc2)CC1 ZINC001231082878 932674136 /nfs/dbraw/zinc/67/41/36/932674136.db2.gz VPFJLLQRNUVUJD-UHFFFAOYSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001307487385 932959848 /nfs/dbraw/zinc/95/98/48/932959848.db2.gz AVBPNDYIODXALL-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001307487385 932959857 /nfs/dbraw/zinc/95/98/57/932959857.db2.gz AVBPNDYIODXALL-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001307487385 932959865 /nfs/dbraw/zinc/95/98/65/932959865.db2.gz AVBPNDYIODXALL-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001307487385 932959873 /nfs/dbraw/zinc/95/98/73/932959873.db2.gz AVBPNDYIODXALL-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC001308234777 933078845 /nfs/dbraw/zinc/07/88/45/933078845.db2.gz XZAQIZKCHLOOKA-LBPRGKRZSA-N 2 2 284.831 3.169 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC001308243893 933080414 /nfs/dbraw/zinc/08/04/14/933080414.db2.gz GCEHKLCKFUZJKT-CVEARBPZSA-N 2 2 291.439 3.067 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC001308544879 933128261 /nfs/dbraw/zinc/12/82/61/933128261.db2.gz XBKUZAYEWVZLEM-WSNITJDQSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC001308544879 933128266 /nfs/dbraw/zinc/12/82/66/933128266.db2.gz XBKUZAYEWVZLEM-WSNITJDQSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001308737905 933166685 /nfs/dbraw/zinc/16/66/85/933166685.db2.gz OAICVQSHIJRHJL-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC001308737905 933166687 /nfs/dbraw/zinc/16/66/87/933166687.db2.gz OAICVQSHIJRHJL-OAHLLOKOSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001308779876 933175233 /nfs/dbraw/zinc/17/52/33/933175233.db2.gz VNRBFDURXBAIAG-DJIMGWMZSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001308779876 933175236 /nfs/dbraw/zinc/17/52/36/933175236.db2.gz VNRBFDURXBAIAG-DJIMGWMZSA-N 2 2 276.399 3.146 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC001319989147 933975143 /nfs/dbraw/zinc/97/51/43/933975143.db2.gz LVGRDICHJRVKSF-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC001319989147 933975150 /nfs/dbraw/zinc/97/51/50/933975150.db2.gz LVGRDICHJRVKSF-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP C[C@@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC001327838455 935088552 /nfs/dbraw/zinc/08/85/52/935088552.db2.gz HWXSSOAVDTVORB-RHSMWYFYSA-N 2 2 299.418 3.004 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327883948 935094985 /nfs/dbraw/zinc/09/49/85/935094985.db2.gz OHBZHVFLOTZELC-UONOGXRCSA-N 2 2 299.409 3.356 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327883948 935094992 /nfs/dbraw/zinc/09/49/92/935094992.db2.gz OHBZHVFLOTZELC-UONOGXRCSA-N 2 2 299.409 3.356 20 0 CGADLP CC(C)=CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001329877411 935250789 /nfs/dbraw/zinc/25/07/89/935250789.db2.gz RRCSNOWMTFSOQY-OAHLLOKOSA-N 2 2 261.413 3.031 20 0 CGADLP CC(C)=CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001329877411 935250792 /nfs/dbraw/zinc/25/07/92/935250792.db2.gz RRCSNOWMTFSOQY-OAHLLOKOSA-N 2 2 261.413 3.031 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2c(Cl)cccc2N(C)C)CC1 ZINC001331981014 935429931 /nfs/dbraw/zinc/42/99/31/935429931.db2.gz MGQRCOYLMWRJNF-UHFFFAOYSA-N 2 2 295.858 3.109 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001332944486 935499301 /nfs/dbraw/zinc/49/93/01/935499301.db2.gz CJKKFUXORPGDMK-IGCXYCKISA-N 2 2 258.409 3.040 20 0 CGADLP Cc1cccnc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001333427822 935534269 /nfs/dbraw/zinc/53/42/69/935534269.db2.gz AVWDRWQOHIUBDQ-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1 ZINC001335431153 936145216 /nfs/dbraw/zinc/14/52/16/936145216.db2.gz BJMMJKCCYIHZOO-MRXNPFEDSA-N 2 2 289.398 3.269 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1C ZINC001473894773 937828627 /nfs/dbraw/zinc/82/86/27/937828627.db2.gz QLJISNASWMGPKQ-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC001473926710 937830387 /nfs/dbraw/zinc/83/03/87/937830387.db2.gz FEEIAOXIYOOLHF-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H](CC1CCCC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474745759 937878516 /nfs/dbraw/zinc/87/85/16/937878516.db2.gz IEUYJOUAXDXXTH-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CC1CCCC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474745759 937878518 /nfs/dbraw/zinc/87/85/18/937878518.db2.gz IEUYJOUAXDXXTH-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)s1 ZINC001549037170 938154618 /nfs/dbraw/zinc/15/46/18/938154618.db2.gz POJIUYKXXFZAAT-HOTGVXAUSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)s1 ZINC001549037170 938154619 /nfs/dbraw/zinc/15/46/19/938154619.db2.gz POJIUYKXXFZAAT-HOTGVXAUSA-N 2 2 290.407 3.122 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001549546328 938158046 /nfs/dbraw/zinc/15/80/46/938158046.db2.gz NKOMGZJKUAQKGL-IPYPFGDCSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001549546328 938158047 /nfs/dbraw/zinc/15/80/47/938158047.db2.gz NKOMGZJKUAQKGL-IPYPFGDCSA-N 2 2 286.410 3.417 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377184 938180459 /nfs/dbraw/zinc/18/04/59/938180459.db2.gz FPXTZKLYSYZFJH-UGUYLWEFSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC001551378379 938180585 /nfs/dbraw/zinc/18/05/85/938180585.db2.gz PHHMPWSMULZRBL-VZJVUDMVSA-N 2 2 258.390 3.023 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001551402914 938181790 /nfs/dbraw/zinc/18/17/90/938181790.db2.gz QAYQDNJUXRWLDS-RBUKOAKNSA-N 2 2 296.414 3.188 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001551402253 938181857 /nfs/dbraw/zinc/18/18/57/938181857.db2.gz MBIJDZSWGLKHSW-CVEARBPZSA-N 2 2 272.779 3.054 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816171 938201027 /nfs/dbraw/zinc/20/10/27/938201027.db2.gz KVCLFZXCDRMCLH-MRXNPFEDSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001553816171 938201028 /nfs/dbraw/zinc/20/10/28/938201028.db2.gz KVCLFZXCDRMCLH-MRXNPFEDSA-N 2 2 294.402 3.281 20 0 CGADLP CCc1cc(NCC[NH+](C(C)C)C(C)C)nc(CC)[nH+]1 ZINC001559050545 938219480 /nfs/dbraw/zinc/21/94/80/938219480.db2.gz IFLJCPBVUGORKJ-UHFFFAOYSA-N 2 2 278.444 3.132 20 0 CGADLP CC(C)C([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001559685977 938232935 /nfs/dbraw/zinc/23/29/35/938232935.db2.gz OWYFRLCYSRTMOU-GASCZTMLSA-N 2 2 254.462 3.235 20 0 CGADLP CC(C)C([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001559685977 938232936 /nfs/dbraw/zinc/23/29/36/938232936.db2.gz OWYFRLCYSRTMOU-GASCZTMLSA-N 2 2 254.462 3.235 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001560610498 938265532 /nfs/dbraw/zinc/26/55/32/938265532.db2.gz XVUYOGFAEXUHEB-QGZVFWFLSA-N 2 2 299.418 3.310 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001560627348 938266705 /nfs/dbraw/zinc/26/67/05/938266705.db2.gz XUFCOWZTLLMRLX-GOSISDBHSA-N 2 2 290.370 3.214 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001560627348 938266707 /nfs/dbraw/zinc/26/67/07/938266707.db2.gz XUFCOWZTLLMRLX-GOSISDBHSA-N 2 2 290.370 3.214 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001560935411 938285110 /nfs/dbraw/zinc/28/51/10/938285110.db2.gz WGSPTJLBVSBIFR-JKSUJKDBSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001560935411 938285112 /nfs/dbraw/zinc/28/51/12/938285112.db2.gz WGSPTJLBVSBIFR-JKSUJKDBSA-N 2 2 280.843 3.345 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])s1 ZINC001577608630 962555592 /nfs/dbraw/zinc/55/55/92/962555592.db2.gz JNSYDNGUVAQATQ-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])s1 ZINC001577608630 962555607 /nfs/dbraw/zinc/55/56/07/962555607.db2.gz JNSYDNGUVAQATQ-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP COCC[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccco1 ZINC001579005525 962611594 /nfs/dbraw/zinc/61/15/94/962611594.db2.gz RFKYBKDWGXTOLE-KBPBESRZSA-N 2 2 282.428 3.100 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000294951293 199267358 /nfs/dbraw/zinc/26/73/58/199267358.db2.gz VORTWGBFSZMUPN-UHFFFAOYSA-N 2 2 261.394 3.090 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124449915 187137813 /nfs/dbraw/zinc/13/78/13/187137813.db2.gz KJUWHXSZXBSENS-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124449915 187137814 /nfs/dbraw/zinc/13/78/14/187137814.db2.gz KJUWHXSZXBSENS-LBPRGKRZSA-N 2 2 279.334 3.244 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000096094175 185096501 /nfs/dbraw/zinc/09/65/01/185096501.db2.gz OIZYCQMYLGUJBV-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000096094175 185096502 /nfs/dbraw/zinc/09/65/02/185096502.db2.gz OIZYCQMYLGUJBV-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000096094175 185096503 /nfs/dbraw/zinc/09/65/03/185096503.db2.gz OIZYCQMYLGUJBV-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000096094175 185096504 /nfs/dbraw/zinc/09/65/04/185096504.db2.gz OIZYCQMYLGUJBV-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)(C)C ZINC000337941902 214321322 /nfs/dbraw/zinc/32/13/22/214321322.db2.gz HLPZFUKZACDQPI-OAHLLOKOSA-N 2 2 289.423 3.184 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+]1CCC(C)CC1 ZINC000337990892 214348631 /nfs/dbraw/zinc/34/86/31/214348631.db2.gz FUMYQIBBICGERJ-HYVNUMGLSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](OC(C)C)C2)c[nH+]1 ZINC000651897740 398303257 /nfs/dbraw/zinc/30/32/57/398303257.db2.gz JLJLFKBNWFUXMJ-QGZVFWFLSA-N 2 2 276.424 3.212 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](OC(C)C)C2)c[nH+]1 ZINC000651897740 398303259 /nfs/dbraw/zinc/30/32/59/398303259.db2.gz JLJLFKBNWFUXMJ-QGZVFWFLSA-N 2 2 276.424 3.212 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338019925 214363638 /nfs/dbraw/zinc/36/36/38/214363638.db2.gz RDTLOOFFRBXHAC-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338019925 214363640 /nfs/dbraw/zinc/36/36/40/214363640.db2.gz RDTLOOFFRBXHAC-CVEARBPZSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1cccn2c(C[NH+]3CCC4(CC4(F)F)CC3)c[nH+]c12 ZINC000651953666 398311788 /nfs/dbraw/zinc/31/17/88/398311788.db2.gz RDKGFCZZIMBFGF-UHFFFAOYSA-N 2 2 291.345 3.264 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423457085 529453380 /nfs/dbraw/zinc/45/33/80/529453380.db2.gz FIMOFFOJZIUDDR-KBPBESRZSA-N 2 2 285.391 3.262 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C1CC2(CCC2)C1)Cc1ccccc1 ZINC000448058929 282179856 /nfs/dbraw/zinc/17/98/56/282179856.db2.gz USJHIYWSWRXVNX-QGZVFWFLSA-N 2 2 272.436 3.082 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)c[nH+]1 ZINC000591081928 346900073 /nfs/dbraw/zinc/90/00/73/346900073.db2.gz BUAMOOGLZZXQOD-ZDUSSCGKSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)c[nH+]1 ZINC000591081928 346900075 /nfs/dbraw/zinc/90/00/75/346900075.db2.gz BUAMOOGLZZXQOD-ZDUSSCGKSA-N 2 2 298.415 3.330 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCOC1 ZINC000423246144 529611905 /nfs/dbraw/zinc/61/19/05/529611905.db2.gz PMAZKKXJMRJJQW-KURKYZTESA-N 2 2 290.451 3.215 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423238656 529611656 /nfs/dbraw/zinc/61/16/56/529611656.db2.gz ALESEHPOZNUKDX-CABCVRRESA-N 2 2 260.406 3.489 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089388 349758315 /nfs/dbraw/zinc/75/83/15/349758315.db2.gz FPXBWVIJQRFSNV-TZMCWYRMSA-N 2 2 288.426 3.378 20 0 CGADLP C[C@@H]1CC([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@@H](C)C1 ZINC000623089756 349758399 /nfs/dbraw/zinc/75/83/99/349758399.db2.gz WZEUNDCSWGGESM-STQMWFEESA-N 2 2 288.426 3.378 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccco1 ZINC000423497363 529611994 /nfs/dbraw/zinc/61/19/94/529611994.db2.gz GVLFIRNEAHGACZ-DOMZBBRYSA-N 2 2 258.365 3.193 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccco1 ZINC000423497366 529612089 /nfs/dbraw/zinc/61/20/89/529612089.db2.gz GVLFIRNEAHGACZ-WFASDCNBSA-N 2 2 258.365 3.193 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C(C)(C)C ZINC000367383814 529614368 /nfs/dbraw/zinc/61/43/68/529614368.db2.gz FATGOKVQTNYFGB-KBPBESRZSA-N 2 2 263.429 3.483 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1OC(F)F ZINC000358400022 529662161 /nfs/dbraw/zinc/66/21/61/529662161.db2.gz KKDUFDOHWHDCSY-FPMFFAJLSA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1OC(F)F ZINC000358400022 529662162 /nfs/dbraw/zinc/66/21/62/529662162.db2.gz KKDUFDOHWHDCSY-FPMFFAJLSA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000449089487 529682164 /nfs/dbraw/zinc/68/21/64/529682164.db2.gz KPFVCTUUDJGDNN-GOSISDBHSA-N 2 2 287.451 3.214 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000623384738 349796126 /nfs/dbraw/zinc/79/61/26/349796126.db2.gz GXQPUEHNSAXYKO-LLVKDONJSA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000623384738 349796132 /nfs/dbraw/zinc/79/61/32/349796132.db2.gz GXQPUEHNSAXYKO-LLVKDONJSA-N 2 2 284.806 3.442 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406074 349801017 /nfs/dbraw/zinc/80/10/17/349801017.db2.gz IXMJRAMTXGFMBW-QWHCGFSZSA-N 2 2 281.469 3.365 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406074 349801020 /nfs/dbraw/zinc/80/10/20/349801020.db2.gz IXMJRAMTXGFMBW-QWHCGFSZSA-N 2 2 281.469 3.365 20 0 CGADLP CC[C@@H](C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000126622770 187251973 /nfs/dbraw/zinc/25/19/73/187251973.db2.gz CYAQIZPIFIYJOK-OAHLLOKOSA-N 2 2 257.381 3.184 20 0 CGADLP CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000126622770 187251975 /nfs/dbraw/zinc/25/19/75/187251975.db2.gz CYAQIZPIFIYJOK-OAHLLOKOSA-N 2 2 257.381 3.184 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431952 349808108 /nfs/dbraw/zinc/80/81/08/349808108.db2.gz YOJJHVZHGMYYSG-UONOGXRCSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cnc([C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431951 349807595 /nfs/dbraw/zinc/80/75/95/349807595.db2.gz YOJJHVZHGMYYSG-KGLIPLIRSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cnc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431951 349807598 /nfs/dbraw/zinc/80/75/98/349807598.db2.gz YOJJHVZHGMYYSG-KGLIPLIRSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431952 349808110 /nfs/dbraw/zinc/80/81/10/349808110.db2.gz YOJJHVZHGMYYSG-UONOGXRCSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(C(C)C)[nH+]1 ZINC000350730363 136378870 /nfs/dbraw/zinc/37/88/70/136378870.db2.gz SGOBPFQRIRXQCX-UHFFFAOYSA-N 2 2 285.395 3.016 20 0 CGADLP CC(C)c1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000351506560 136380625 /nfs/dbraw/zinc/38/06/25/136380625.db2.gz USRDLLCGCIPECT-UONOGXRCSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000351506560 136380626 /nfs/dbraw/zinc/38/06/26/136380626.db2.gz USRDLLCGCIPECT-UONOGXRCSA-N 2 2 290.455 3.252 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000591869422 346943554 /nfs/dbraw/zinc/94/35/54/346943554.db2.gz VLLWNMGXMXEZQN-HNNXBMFYSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000591869422 346943557 /nfs/dbraw/zinc/94/35/57/346943557.db2.gz VLLWNMGXMXEZQN-HNNXBMFYSA-N 2 2 275.421 3.399 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868410 346943905 /nfs/dbraw/zinc/94/39/05/346943905.db2.gz ZYMNBKGIQRTLPL-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868410 346943909 /nfs/dbraw/zinc/94/39/09/346943909.db2.gz ZYMNBKGIQRTLPL-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H](CCO)c2ccccc2)c[nH+]1 ZINC000351271116 219089120 /nfs/dbraw/zinc/08/91/20/219089120.db2.gz QLXTUTMIAUBIHV-LJQANCHMSA-N 2 2 298.430 3.378 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H](CCO)c2ccccc2)c[nH+]1 ZINC000351271116 219089123 /nfs/dbraw/zinc/08/91/23/219089123.db2.gz QLXTUTMIAUBIHV-LJQANCHMSA-N 2 2 298.430 3.378 20 0 CGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000623657468 349859714 /nfs/dbraw/zinc/85/97/14/349859714.db2.gz RGFJQLXNDTVNRH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000623657468 349859715 /nfs/dbraw/zinc/85/97/15/349859715.db2.gz RGFJQLXNDTVNRH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128085600 187349893 /nfs/dbraw/zinc/34/98/93/187349893.db2.gz GTMYUZBZTDZDKP-MDZLAQPJSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000128085600 187349894 /nfs/dbraw/zinc/34/98/94/187349894.db2.gz GTMYUZBZTDZDKP-MDZLAQPJSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728850 349872332 /nfs/dbraw/zinc/87/23/32/349872332.db2.gz CBDWNFAAWZTXSA-STECZYCISA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728850 349872336 /nfs/dbraw/zinc/87/23/36/349872336.db2.gz CBDWNFAAWZTXSA-STECZYCISA-N 2 2 262.441 3.028 20 0 CGADLP C/C=C/C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000623739618 349874465 /nfs/dbraw/zinc/87/44/65/349874465.db2.gz ALKJDOIUHWJOLA-NSCUHMNNSA-N 2 2 278.827 3.470 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623878312 349903095 /nfs/dbraw/zinc/90/30/95/349903095.db2.gz DWEJJNBNGVJDQO-AWEZNQCLSA-N 2 2 293.480 3.375 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC1(C)C ZINC000426553693 529975251 /nfs/dbraw/zinc/97/52/51/529975251.db2.gz DVPPTSUTKCMEJE-CYBMUJFWSA-N 2 2 261.394 3.164 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC1(C)C ZINC000426553693 529975253 /nfs/dbraw/zinc/97/52/53/529975253.db2.gz DVPPTSUTKCMEJE-CYBMUJFWSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623928050 349919130 /nfs/dbraw/zinc/91/91/30/349919130.db2.gz BYCAPBQBSOIXAE-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623928050 349919135 /nfs/dbraw/zinc/91/91/35/349919135.db2.gz BYCAPBQBSOIXAE-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051952073 345094119 /nfs/dbraw/zinc/09/41/19/345094119.db2.gz NQYVPLXVILLAKA-UHFFFAOYSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188305 345244190 /nfs/dbraw/zinc/24/41/90/345244190.db2.gz HUYPQFCEUGXCEM-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000063188305 345244191 /nfs/dbraw/zinc/24/41/91/345244191.db2.gz HUYPQFCEUGXCEM-LSDHHAIUSA-N 2 2 264.438 3.163 20 0 CGADLP c1coc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000067507109 345323795 /nfs/dbraw/zinc/32/37/95/345323795.db2.gz WOYVMYAZEHMWSZ-KRWDZBQOSA-N 2 2 284.403 3.281 20 0 CGADLP c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067507109 345323797 /nfs/dbraw/zinc/32/37/97/345323797.db2.gz WOYVMYAZEHMWSZ-KRWDZBQOSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CCCc2scnc21)[NH+]1CCCCC1 ZINC000623959652 349929276 /nfs/dbraw/zinc/92/92/76/349929276.db2.gz XIJLKMMKYMWTSH-ZIAGYGMSSA-N 2 2 293.480 3.375 20 0 CGADLP Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nc(C)[nH+]1 ZINC000079022306 345628735 /nfs/dbraw/zinc/62/87/35/345628735.db2.gz NKJOLLHWCAKUDX-UHFFFAOYSA-N 2 2 281.363 3.014 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]CCc1cc[nH+]cc1C)CCC2 ZINC000090846920 345796204 /nfs/dbraw/zinc/79/62/04/345796204.db2.gz VWSVNJVLGMLMNQ-CQSZACIVSA-N 2 2 287.432 3.365 20 0 CGADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cccc[nH+]1 ZINC000092695991 345854296 /nfs/dbraw/zinc/85/42/96/345854296.db2.gz AGKQTGGOKHKBLD-UHFFFAOYSA-N 2 2 296.418 3.220 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644814 219161003 /nfs/dbraw/zinc/16/10/03/219161003.db2.gz SUYJUTGUJFIHPC-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644814 219161006 /nfs/dbraw/zinc/16/10/06/219161006.db2.gz SUYJUTGUJFIHPC-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644814 219161008 /nfs/dbraw/zinc/16/10/08/219161008.db2.gz SUYJUTGUJFIHPC-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2F)C[C@H]1C ZINC000351644814 219161010 /nfs/dbraw/zinc/16/10/10/219161010.db2.gz SUYJUTGUJFIHPC-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553768 346012791 /nfs/dbraw/zinc/01/27/91/346012791.db2.gz HELCXWWTLHSLJZ-CMPLNLGQSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000124553768 346012794 /nfs/dbraw/zinc/01/27/94/346012794.db2.gz HELCXWWTLHSLJZ-CMPLNLGQSA-N 2 2 293.461 3.183 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cccc1OC ZINC000127738561 346033691 /nfs/dbraw/zinc/03/36/91/346033691.db2.gz SQELSNYOIYLYQW-CYBMUJFWSA-N 2 2 265.401 3.013 20 0 CGADLP CCCCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000129175024 346047712 /nfs/dbraw/zinc/04/77/12/346047712.db2.gz PCDHSGBNYZNFRF-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000129175024 346047716 /nfs/dbraw/zinc/04/77/16/346047716.db2.gz PCDHSGBNYZNFRF-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000157060724 346160850 /nfs/dbraw/zinc/16/08/50/346160850.db2.gz BEJDJMRMHCUSIG-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000157060724 346160852 /nfs/dbraw/zinc/16/08/52/346160852.db2.gz BEJDJMRMHCUSIG-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000624017306 349948459 /nfs/dbraw/zinc/94/84/59/349948459.db2.gz WGLFKJZRMGEWTR-UKRRQHHQSA-N 2 2 293.480 3.224 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000624017306 349948463 /nfs/dbraw/zinc/94/84/63/349948463.db2.gz WGLFKJZRMGEWTR-UKRRQHHQSA-N 2 2 293.480 3.224 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101168 349970603 /nfs/dbraw/zinc/97/06/03/349970603.db2.gz NWUKVJUHFNLFBE-UKRRQHHQSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101168 349970606 /nfs/dbraw/zinc/97/06/06/349970606.db2.gz NWUKVJUHFNLFBE-UKRRQHHQSA-N 2 2 278.465 3.023 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247496 346572356 /nfs/dbraw/zinc/57/23/56/346572356.db2.gz AXJXBIIBRDQROS-GOEBONIOSA-N 2 2 291.395 3.120 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247496 346572360 /nfs/dbraw/zinc/57/23/60/346572360.db2.gz AXJXBIIBRDQROS-GOEBONIOSA-N 2 2 291.395 3.120 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000389852215 346573722 /nfs/dbraw/zinc/57/37/22/346573722.db2.gz WPRLJVCPAOAIGA-YLJYHZDGSA-N 2 2 294.442 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000389852215 346573724 /nfs/dbraw/zinc/57/37/24/346573724.db2.gz WPRLJVCPAOAIGA-YLJYHZDGSA-N 2 2 294.442 3.339 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000390560148 346574148 /nfs/dbraw/zinc/57/41/48/346574148.db2.gz JVGJRPNIIITSHC-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000390560148 346574151 /nfs/dbraw/zinc/57/41/51/346574151.db2.gz JVGJRPNIIITSHC-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP CSC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC000597207577 347554222 /nfs/dbraw/zinc/55/42/22/347554222.db2.gz FFLYUYFHKKNUGE-CQSZACIVSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000597207577 347554224 /nfs/dbraw/zinc/55/42/24/347554224.db2.gz FFLYUYFHKKNUGE-CQSZACIVSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063590 347712690 /nfs/dbraw/zinc/71/26/90/347712690.db2.gz DLGKOBOCGNBZCQ-DZGCQCFKSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599063590 347712692 /nfs/dbraw/zinc/71/26/92/347712692.db2.gz DLGKOBOCGNBZCQ-DZGCQCFKSA-N 2 2 288.476 3.074 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418412 215156916 /nfs/dbraw/zinc/15/69/16/215156916.db2.gz BNWURMAGHWAAMU-DOMZBBRYSA-N 2 2 282.378 3.228 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)C1 ZINC000339418412 215156917 /nfs/dbraw/zinc/15/69/17/215156917.db2.gz BNWURMAGHWAAMU-DOMZBBRYSA-N 2 2 282.378 3.228 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000608070610 348281991 /nfs/dbraw/zinc/28/19/91/348281991.db2.gz DTHUOBLWENXEMH-AWEZNQCLSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189047 349996934 /nfs/dbraw/zinc/99/69/34/349996934.db2.gz UYWKWFSQZMZPON-ZFWWWQNUSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189047 349996936 /nfs/dbraw/zinc/99/69/36/349996936.db2.gz UYWKWFSQZMZPON-ZFWWWQNUSA-N 2 2 278.465 3.286 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000620434863 349371605 /nfs/dbraw/zinc/37/16/05/349371605.db2.gz SLZSPWIKNXFHGJ-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000620434863 349371608 /nfs/dbraw/zinc/37/16/08/349371608.db2.gz SLZSPWIKNXFHGJ-KRWDZBQOSA-N 2 2 260.425 3.213 20 0 CGADLP Fc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(F)c1F ZINC000271209487 191000274 /nfs/dbraw/zinc/00/02/74/191000274.db2.gz UEMNUABXNUNDBQ-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@@H+]1C ZINC000271211106 191003759 /nfs/dbraw/zinc/00/37/59/191003759.db2.gz UQAUPVKQYZBQTL-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccc3c2)CC[N@H+]1C ZINC000271211106 191003762 /nfs/dbraw/zinc/00/37/62/191003762.db2.gz UQAUPVKQYZBQTL-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211106 191003763 /nfs/dbraw/zinc/00/37/63/191003763.db2.gz UQAUPVKQYZBQTL-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccc3c2)CC[NH+]1C ZINC000271211106 191003766 /nfs/dbraw/zinc/00/37/66/191003766.db2.gz UQAUPVKQYZBQTL-YOEHRIQHSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc(CCCn2c[nH+]c3c2CCCC3)c[nH+]1 ZINC000628371594 350518093 /nfs/dbraw/zinc/51/80/93/350518093.db2.gz QVEFGFXRVGIBBE-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP C[C@@H]1C[NH+](Cc2cccc3[nH+]ccn32)C[C@@H](C)C1(F)F ZINC000628390844 350523064 /nfs/dbraw/zinc/52/30/64/350523064.db2.gz PFCLQFYTXSXDLV-VXGBXAGGSA-N 2 2 279.334 3.057 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000629526251 350702133 /nfs/dbraw/zinc/70/21/33/350702133.db2.gz OAWUUZYVIZQVLR-FTYKPCCVSA-N 2 2 282.478 3.404 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000629525832 350702392 /nfs/dbraw/zinc/70/23/92/350702392.db2.gz DACCMMPSKZSGTB-YESZJQIVSA-N 2 2 288.435 3.247 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000629526067 350702456 /nfs/dbraw/zinc/70/24/56/350702456.db2.gz JXHDUPNOQZHWMS-BYCMXARLSA-N 2 2 264.438 3.200 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000629527769 350703202 /nfs/dbraw/zinc/70/32/02/350703202.db2.gz FKMVHGANXGQYEN-ARFHVFGLSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC000629534635 350704904 /nfs/dbraw/zinc/70/49/04/350704904.db2.gz APIQEJHCRKPFCC-KBPBESRZSA-N 2 2 278.399 3.487 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CCCO2 ZINC000629537732 350706066 /nfs/dbraw/zinc/70/60/66/350706066.db2.gz KRHGDKJUBLXOOD-BFYDXBDKSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2cc(Cl)ccc2o1 ZINC000629543974 350708396 /nfs/dbraw/zinc/70/83/96/350708396.db2.gz HOVGXVIQQUTKNH-OPQQBVKSSA-N 2 2 278.783 3.487 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1F ZINC000629543088 350708542 /nfs/dbraw/zinc/70/85/42/350708542.db2.gz SLWYDDIDEPKJFC-HUBLWGQQSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000629547883 350709960 /nfs/dbraw/zinc/70/99/60/350709960.db2.gz WCFYQCFUQFOZGN-LYIQGSDWSA-N 2 2 250.411 3.027 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000629546707 350710320 /nfs/dbraw/zinc/71/03/20/350710320.db2.gz XDQIJZPTLQPFTH-VQISRLSMSA-N 2 2 298.352 3.497 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000629583475 350715065 /nfs/dbraw/zinc/71/50/65/350715065.db2.gz AFZRULIGQYPZEH-GASCZTMLSA-N 2 2 298.352 3.137 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000629583475 350715068 /nfs/dbraw/zinc/71/50/68/350715068.db2.gz AFZRULIGQYPZEH-GASCZTMLSA-N 2 2 298.352 3.137 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C[NH2+]1 ZINC000629396975 350688206 /nfs/dbraw/zinc/68/82/06/350688206.db2.gz RWHHKQBYUKTZNM-WCQYABFASA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C[NH2+]1 ZINC000629412040 350689956 /nfs/dbraw/zinc/68/99/56/350689956.db2.gz JZAIMMFHVTXLDI-IAQYHMDHSA-N 2 2 289.810 3.118 20 0 CGADLP CNc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)c[nH+]1 ZINC000629702943 350745148 /nfs/dbraw/zinc/74/51/48/350745148.db2.gz XNRZUVKVTBVWOJ-AWEZNQCLSA-N 2 2 281.403 3.197 20 0 CGADLP CNc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)c[nH+]1 ZINC000629702943 350745151 /nfs/dbraw/zinc/74/51/51/350745151.db2.gz XNRZUVKVTBVWOJ-AWEZNQCLSA-N 2 2 281.403 3.197 20 0 CGADLP CC(C)c1cc(NC(C)(C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000630343401 350824792 /nfs/dbraw/zinc/82/47/92/350824792.db2.gz MMGXNDTWOWJYKM-UHFFFAOYSA-N 2 2 278.444 3.476 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(CC[NH+](C)C)cc2)n1C ZINC000630051520 350800836 /nfs/dbraw/zinc/80/08/36/350800836.db2.gz CFGUWFXFEUJGJS-UHFFFAOYSA-N 2 2 271.408 3.315 20 0 CGADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000631126121 350963607 /nfs/dbraw/zinc/96/36/07/350963607.db2.gz PPWIWODOYHBXPR-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260340 351009794 /nfs/dbraw/zinc/00/97/94/351009794.db2.gz NCEXTEFXDMUORH-NMFUWQPSSA-N 2 2 298.352 3.047 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260340 351009796 /nfs/dbraw/zinc/00/97/96/351009796.db2.gz NCEXTEFXDMUORH-NMFUWQPSSA-N 2 2 298.352 3.047 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)n1C ZINC000631252029 351005943 /nfs/dbraw/zinc/00/59/43/351005943.db2.gz LNVJMYNTICYOCO-SAZUREKKSA-N 2 2 287.432 3.141 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccn1 ZINC000631586940 351080581 /nfs/dbraw/zinc/08/05/81/351080581.db2.gz AMRCGSKVIYXBTF-JYJNAYRXSA-N 2 2 275.440 3.304 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccn1 ZINC000631586940 351080583 /nfs/dbraw/zinc/08/05/83/351080583.db2.gz AMRCGSKVIYXBTF-JYJNAYRXSA-N 2 2 275.440 3.304 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886392 351152147 /nfs/dbraw/zinc/15/21/47/351152147.db2.gz JHLXKGNVIQTPMB-DZGCQCFKSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886392 351152152 /nfs/dbraw/zinc/15/21/52/351152152.db2.gz JHLXKGNVIQTPMB-DZGCQCFKSA-N 2 2 298.352 3.279 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000631796619 351143442 /nfs/dbraw/zinc/14/34/42/351143442.db2.gz WOSBWKZRDMHRKW-MRXNPFEDSA-N 2 2 282.378 3.299 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C)CC1 ZINC000361688735 233706237 /nfs/dbraw/zinc/70/62/37/233706237.db2.gz BYRKVWNKYAOJAE-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000634682945 351568791 /nfs/dbraw/zinc/56/87/91/351568791.db2.gz FOERWLCTMGHXEO-UAGQMJEPSA-N 2 2 290.451 3.225 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000313265955 282770755 /nfs/dbraw/zinc/77/07/55/282770755.db2.gz HPLMJMZFPUTBMQ-KRWDZBQOSA-N 2 2 269.392 3.020 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000336497278 213370354 /nfs/dbraw/zinc/37/03/54/213370354.db2.gz HOQLKXPMKRCCBO-CABCVRRESA-N 2 2 269.392 3.166 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000122308551 187025702 /nfs/dbraw/zinc/02/57/02/187025702.db2.gz YGUPJGHLAPZYBM-RISCZKNCSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000122308551 187025703 /nfs/dbraw/zinc/02/57/03/187025703.db2.gz YGUPJGHLAPZYBM-RISCZKNCSA-N 2 2 264.800 3.055 20 0 CGADLP COCCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122743123 187048469 /nfs/dbraw/zinc/04/84/69/187048469.db2.gz BKSITUNVGZSBHT-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000122804272 187052910 /nfs/dbraw/zinc/05/29/10/187052910.db2.gz WYKOUKXSLDSYGM-OAHLLOKOSA-N 2 2 284.403 3.379 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000122804272 187052911 /nfs/dbraw/zinc/05/29/11/187052911.db2.gz WYKOUKXSLDSYGM-OAHLLOKOSA-N 2 2 284.403 3.379 20 0 CGADLP Fc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000362233825 233817201 /nfs/dbraw/zinc/81/72/01/233817201.db2.gz GJYKGQDGNRWXKZ-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cc[nH+]cc1C)CC2 ZINC000271518553 191187831 /nfs/dbraw/zinc/18/78/31/191187831.db2.gz PAHXQWJHHBTAMU-GOSISDBHSA-N 2 2 282.387 3.218 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624667 234055497 /nfs/dbraw/zinc/05/54/97/234055497.db2.gz TZUNSYXWTGXQNF-WBVHZDCISA-N 2 2 267.376 3.208 20 0 CGADLP c1cn([C@@H]2CCC[N@H+]([C@H]3CCc4ccccc43)C2)c[nH+]1 ZINC000364624667 234055502 /nfs/dbraw/zinc/05/55/02/234055502.db2.gz TZUNSYXWTGXQNF-WBVHZDCISA-N 2 2 267.376 3.208 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000366740632 234188519 /nfs/dbraw/zinc/18/85/19/234188519.db2.gz SMJFGGOYCGSODB-VXGBXAGGSA-N 2 2 291.420 3.181 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701106 234244036 /nfs/dbraw/zinc/24/40/36/234244036.db2.gz KNLXROZCXBHGCB-HNNXBMFYSA-N 2 2 283.419 3.187 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000367701106 234244040 /nfs/dbraw/zinc/24/40/40/234244040.db2.gz KNLXROZCXBHGCB-HNNXBMFYSA-N 2 2 283.419 3.187 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000152220814 188003104 /nfs/dbraw/zinc/00/31/04/188003104.db2.gz MVPAOBUIIWQVMO-ZIAGYGMSSA-N 2 2 271.408 3.284 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088850 234278038 /nfs/dbraw/zinc/27/80/38/234278038.db2.gz IIDBOTSTTLIIDY-ULQDDVLXSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000368088850 234278041 /nfs/dbraw/zinc/27/80/41/234278041.db2.gz IIDBOTSTTLIIDY-ULQDDVLXSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000368102978 234284400 /nfs/dbraw/zinc/28/44/00/234284400.db2.gz REFYVOYDRMAURA-WMLDXEAASA-N 2 2 267.376 3.008 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000368102978 234284403 /nfs/dbraw/zinc/28/44/03/234284403.db2.gz REFYVOYDRMAURA-WMLDXEAASA-N 2 2 267.376 3.008 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000152528030 188026485 /nfs/dbraw/zinc/02/64/85/188026485.db2.gz BNOPWKDRSJMCSP-HOCLYGCPSA-N 2 2 269.392 3.420 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCSc3ccccc31)C2 ZINC000368104695 234283474 /nfs/dbraw/zinc/28/34/74/234283474.db2.gz IRZFREXAFDYKBW-DGCLKSJQSA-N 2 2 285.416 3.094 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000368104695 234283476 /nfs/dbraw/zinc/28/34/76/234283476.db2.gz IRZFREXAFDYKBW-DGCLKSJQSA-N 2 2 285.416 3.094 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563532 188150762 /nfs/dbraw/zinc/15/07/62/188150762.db2.gz LAVJFCVDOGYWDK-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OC(F)F)c1 ZINC000154563532 188150763 /nfs/dbraw/zinc/15/07/63/188150763.db2.gz LAVJFCVDOGYWDK-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000154583017 188151519 /nfs/dbraw/zinc/15/15/19/188151519.db2.gz XNFJRUWHVSWRHZ-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000154583017 188151520 /nfs/dbraw/zinc/15/15/20/188151520.db2.gz XNFJRUWHVSWRHZ-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000154582796 188151581 /nfs/dbraw/zinc/15/15/81/188151581.db2.gz XNFJRUWHVSWRHZ-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000154582796 188151583 /nfs/dbraw/zinc/15/15/83/188151583.db2.gz XNFJRUWHVSWRHZ-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)co2)cc1 ZINC000156339410 188256661 /nfs/dbraw/zinc/25/66/61/188256661.db2.gz QRZFMFQQNGYAMQ-GDBMZVCRSA-N 2 2 299.418 3.222 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000156339410 188256662 /nfs/dbraw/zinc/25/66/62/188256662.db2.gz QRZFMFQQNGYAMQ-GDBMZVCRSA-N 2 2 299.418 3.222 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000368498924 283019520 /nfs/dbraw/zinc/01/95/20/283019520.db2.gz LRZAGTGVDRSUAB-INIZCTEOSA-N 2 2 285.366 3.136 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000459457980 283057290 /nfs/dbraw/zinc/05/72/90/283057290.db2.gz QQPKNZBBOHSFHZ-SJORKVTESA-N 2 2 270.420 3.354 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC000459457980 283057292 /nfs/dbraw/zinc/05/72/92/283057292.db2.gz QQPKNZBBOHSFHZ-SJORKVTESA-N 2 2 270.420 3.354 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000302816849 283060907 /nfs/dbraw/zinc/06/09/07/283060907.db2.gz IOZVSSHUTKMPPM-SJORKVTESA-N 2 2 292.386 3.420 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000302816849 283060913 /nfs/dbraw/zinc/06/09/13/283060913.db2.gz IOZVSSHUTKMPPM-SJORKVTESA-N 2 2 292.386 3.420 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000189061411 295907484 /nfs/dbraw/zinc/90/74/84/295907484.db2.gz PEKFSFITCIXZSH-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414139092 235345840 /nfs/dbraw/zinc/34/58/40/235345840.db2.gz HGYASTNWEZQFLV-UKRRQHHQSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000325049847 291082498 /nfs/dbraw/zinc/08/24/98/291082498.db2.gz PBTYFJVAEAJCES-SWLSCSKDSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)C[N@H+]1C1CC1 ZINC000325049847 291082499 /nfs/dbraw/zinc/08/24/99/291082499.db2.gz PBTYFJVAEAJCES-SWLSCSKDSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000091311414 138343886 /nfs/dbraw/zinc/34/38/86/138343886.db2.gz VQULTJPJDIQDDM-KBPBESRZSA-N 2 2 291.826 3.393 20 0 CGADLP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000093488025 138345992 /nfs/dbraw/zinc/34/59/92/138345992.db2.gz PARKAXQNNQDMOA-FGTMMUONSA-N 3 2 295.515 3.006 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123656920 138369258 /nfs/dbraw/zinc/36/92/58/138369258.db2.gz JWZYJTYTWBXKIP-HNNXBMFYSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123656920 138369259 /nfs/dbraw/zinc/36/92/59/138369259.db2.gz JWZYJTYTWBXKIP-HNNXBMFYSA-N 2 2 287.382 3.014 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423231625 236003141 /nfs/dbraw/zinc/00/31/41/236003141.db2.gz HBNJAVPNZJJCGY-ZDUSSCGKSA-N 2 2 264.372 3.098 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423239913 236006215 /nfs/dbraw/zinc/00/62/15/236006215.db2.gz SVTPHOXZQDTCOY-STQMWFEESA-N 2 2 272.367 3.382 20 0 CGADLP c1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240925 236006772 /nfs/dbraw/zinc/00/67/72/236006772.db2.gz UKWJRWGEOHPVTA-MOPGFXCFSA-N 2 2 280.415 3.312 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)c1ccccc1 ZINC000423249282 236008921 /nfs/dbraw/zinc/00/89/21/236008921.db2.gz OLPNIPHCNYVXKV-ARFHVFGLSA-N 2 2 264.388 3.194 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423252272 236010012 /nfs/dbraw/zinc/01/00/12/236010012.db2.gz XGXCLRYNDZSUNU-RHSMWYFYSA-N 2 2 254.377 3.346 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423287039 236024181 /nfs/dbraw/zinc/02/41/81/236024181.db2.gz JXUIXKXEJQFHOJ-NSHDSACASA-N 2 2 275.421 3.198 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)C1CC1 ZINC000423270502 236015927 /nfs/dbraw/zinc/01/59/27/236015927.db2.gz GLENLQZEPPXZKQ-OLZOCXBDSA-N 2 2 282.840 3.204 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423328419 236040120 /nfs/dbraw/zinc/04/01/20/236040120.db2.gz OAZHGSYZSOYDRL-BDAKNGLRSA-N 2 2 252.745 3.084 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]1 ZINC000423378513 236056296 /nfs/dbraw/zinc/05/62/96/236056296.db2.gz LDYZLBUCGPZGNJ-RPVQJOFSSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423442203 236072541 /nfs/dbraw/zinc/07/25/41/236072541.db2.gz JPMGCQNLPRJBEQ-GDZNZVCISA-N 2 2 272.367 3.240 20 0 CGADLP Cc1cc(NC(=O)C2([NH3+])CCC2)ccc1Oc1cc[nH+]cc1 ZINC000423896827 236111185 /nfs/dbraw/zinc/11/11/85/236111185.db2.gz DFIDLLVNARFMIA-UHFFFAOYSA-N 2 2 297.358 3.002 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000424266866 236139676 /nfs/dbraw/zinc/13/96/76/236139676.db2.gz LQPHNNKNBLUGHZ-RYUDHWBXSA-N 2 2 293.798 3.284 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427860951 236350736 /nfs/dbraw/zinc/35/07/36/236350736.db2.gz BDWYCNAZVXDADA-DOMZBBRYSA-N 2 2 289.810 3.072 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000427868860 236351734 /nfs/dbraw/zinc/35/17/34/236351734.db2.gz BGBQQGGGSQQVNE-TZMCWYRMSA-N 2 2 285.416 3.025 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000428383431 236399049 /nfs/dbraw/zinc/39/90/49/236399049.db2.gz LUDYYBJFRLOWAV-ZDUSSCGKSA-N 2 2 288.395 3.209 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000428383431 236399050 /nfs/dbraw/zinc/39/90/50/236399050.db2.gz LUDYYBJFRLOWAV-ZDUSSCGKSA-N 2 2 288.395 3.209 20 0 CGADLP C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294944361 199264053 /nfs/dbraw/zinc/26/40/53/199264053.db2.gz BTWMYBSAUXJQLE-DVOMOZLQSA-N 2 2 287.432 3.274 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000438089716 237410129 /nfs/dbraw/zinc/41/01/29/237410129.db2.gz RSKXCHDHZRYRKB-KRWDZBQOSA-N 2 2 290.451 3.167 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]CCCCOc2ccccc2)C1 ZINC000438089716 237410135 /nfs/dbraw/zinc/41/01/35/237410135.db2.gz RSKXCHDHZRYRKB-KRWDZBQOSA-N 2 2 290.451 3.167 20 0 CGADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298093278 200331229 /nfs/dbraw/zinc/33/12/29/200331229.db2.gz MVKVOCFCWNIGHO-UHFFFAOYSA-N 2 2 294.439 3.264 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)Cn1cc[nH+]c1 ZINC000178620043 189131612 /nfs/dbraw/zinc/13/16/12/189131612.db2.gz BFKBRYBAUHOROZ-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP C[C@H](c1ccco1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179682607 189213726 /nfs/dbraw/zinc/21/37/26/189213726.db2.gz JTMDIVOJYFKNAR-GFCCVEGCSA-N 2 2 255.321 3.120 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179682607 189213727 /nfs/dbraw/zinc/21/37/27/189213727.db2.gz JTMDIVOJYFKNAR-GFCCVEGCSA-N 2 2 255.321 3.120 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182294851 189319150 /nfs/dbraw/zinc/31/91/50/189319150.db2.gz HDAWXEFXYGLLQE-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182294851 189319151 /nfs/dbraw/zinc/31/91/51/189319151.db2.gz HDAWXEFXYGLLQE-UHFFFAOYSA-N 2 2 271.408 3.146 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000182259531 189318355 /nfs/dbraw/zinc/31/83/55/189318355.db2.gz JFGWJCNTMLEGCY-SWLSCSKDSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000182259531 189318356 /nfs/dbraw/zinc/31/83/56/189318356.db2.gz JFGWJCNTMLEGCY-SWLSCSKDSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cc[nH+]c(NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000301622684 201101617 /nfs/dbraw/zinc/10/16/17/201101617.db2.gz DZULHQODBQAUHN-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+](C)C1CC1 ZINC000449135682 239197764 /nfs/dbraw/zinc/19/77/64/239197764.db2.gz QVZUTFNTIKVELP-KSTDHSDQSA-N 2 2 294.483 3.329 20 0 CGADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+](C)C1CC1 ZINC000449135682 239197767 /nfs/dbraw/zinc/19/77/67/239197767.db2.gz QVZUTFNTIKVELP-KSTDHSDQSA-N 2 2 294.483 3.329 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000119884215 370718462 /nfs/dbraw/zinc/71/84/62/370718462.db2.gz GXVZVDJQHWKBLX-JZXOWHBKSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000119884215 370718466 /nfs/dbraw/zinc/71/84/66/370718466.db2.gz GXVZVDJQHWKBLX-JZXOWHBKSA-N 2 2 290.451 3.227 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000450814480 240099519 /nfs/dbraw/zinc/09/95/19/240099519.db2.gz VMLJWOLSUNUEQZ-KRWDZBQOSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000450814480 240099525 /nfs/dbraw/zinc/09/95/25/240099525.db2.gz VMLJWOLSUNUEQZ-KRWDZBQOSA-N 2 2 295.430 3.348 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335574644 212285765 /nfs/dbraw/zinc/28/57/65/212285765.db2.gz FVHBIQMLOCKIRY-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000335574644 212285768 /nfs/dbraw/zinc/28/57/68/212285768.db2.gz FVHBIQMLOCKIRY-CHWSQXEVSA-N 2 2 283.366 3.415 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cncs1 ZINC000120765517 370797218 /nfs/dbraw/zinc/79/72/18/370797218.db2.gz SCOLWOCQZQRGOP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cncs1 ZINC000120765517 370797223 /nfs/dbraw/zinc/79/72/23/370797223.db2.gz SCOLWOCQZQRGOP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccc(F)cc1 ZINC000459309091 242063856 /nfs/dbraw/zinc/06/38/56/242063856.db2.gz SJBZWRVSCNEPQI-ZDUSSCGKSA-N 2 2 275.371 3.185 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccc(F)cc1 ZINC000459309091 242063862 /nfs/dbraw/zinc/06/38/62/242063862.db2.gz SJBZWRVSCNEPQI-ZDUSSCGKSA-N 2 2 275.371 3.185 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@@H+]1C ZINC000459471215 242119900 /nfs/dbraw/zinc/11/99/00/242119900.db2.gz BHCUBJPWVMEWJQ-VNCIIQTRSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)CCC[N@H+]1C ZINC000459471215 242119906 /nfs/dbraw/zinc/11/99/06/242119906.db2.gz BHCUBJPWVMEWJQ-VNCIIQTRSA-N 2 2 272.436 3.179 20 0 CGADLP CCc1ccc([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459491834 242124827 /nfs/dbraw/zinc/12/48/27/242124827.db2.gz VTERHMUTIICEID-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccc([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459491834 242124832 /nfs/dbraw/zinc/12/48/32/242124832.db2.gz VTERHMUTIICEID-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553515 242129127 /nfs/dbraw/zinc/12/91/27/242129127.db2.gz YKDOKHCARRRFOR-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553515 242129130 /nfs/dbraw/zinc/12/91/30/242129130.db2.gz YKDOKHCARRRFOR-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)no1 ZINC000459393637 242096575 /nfs/dbraw/zinc/09/65/75/242096575.db2.gz MOUYBOCWAVWQQK-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)no1 ZINC000459393637 242096578 /nfs/dbraw/zinc/09/65/78/242096578.db2.gz MOUYBOCWAVWQQK-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(COc3ccccc3)C2)c[nH+]1 ZINC000459631285 242154171 /nfs/dbraw/zinc/15/41/71/242154171.db2.gz KKTNWPATJLMXMX-UHFFFAOYSA-N 2 2 296.414 3.333 20 0 CGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000459669567 242171199 /nfs/dbraw/zinc/17/11/99/242171199.db2.gz DMRMGVVPMWQETH-PBHICJAKSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000459669567 242171204 /nfs/dbraw/zinc/17/12/04/242171204.db2.gz DMRMGVVPMWQETH-PBHICJAKSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ccc(-c2ccc(C[NH2+]CCc3cn(C)c[nH+]3)o2)cc1 ZINC000459669554 242172228 /nfs/dbraw/zinc/17/22/28/242172228.db2.gz UWYMBSAJRKSYQN-UHFFFAOYSA-N 2 2 295.386 3.321 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2)c[nH+]1 ZINC000459758190 242214399 /nfs/dbraw/zinc/21/43/99/242214399.db2.gz LHADAMADAIDXBF-UGFHNGPFSA-N 2 2 273.405 3.212 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081595 243137877 /nfs/dbraw/zinc/13/78/77/243137877.db2.gz CUABHSJBKRKZSK-CJNGLKHVSA-N 2 2 280.843 3.201 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000480081595 243137879 /nfs/dbraw/zinc/13/78/79/243137879.db2.gz CUABHSJBKRKZSK-CJNGLKHVSA-N 2 2 280.843 3.201 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000121819720 370898948 /nfs/dbraw/zinc/89/89/48/370898948.db2.gz NNMTUSDGNPMXLG-IBGZPJMESA-N 2 2 295.430 3.226 20 0 CGADLP C[C@@]1(C[NH2+]Cc2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000121819720 370898951 /nfs/dbraw/zinc/89/89/51/370898951.db2.gz NNMTUSDGNPMXLG-IBGZPJMESA-N 2 2 295.430 3.226 20 0 CGADLP CC(C)C1CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000488421605 243554656 /nfs/dbraw/zinc/55/46/56/243554656.db2.gz SUSDWAYDJFLYPV-UHFFFAOYSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000019929520 368786248 /nfs/dbraw/zinc/78/62/48/368786248.db2.gz QGDXOQXDLIFMPY-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1ccccc1C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000019929520 368786250 /nfs/dbraw/zinc/78/62/50/368786250.db2.gz QGDXOQXDLIFMPY-GOSISDBHSA-N 2 2 266.388 3.053 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000019960332 368791151 /nfs/dbraw/zinc/79/11/51/368791151.db2.gz ZGDAHBUDYLRYAN-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000019960332 368791157 /nfs/dbraw/zinc/79/11/57/368791157.db2.gz ZGDAHBUDYLRYAN-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP Clc1ccc(C2CC([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000036843401 369032656 /nfs/dbraw/zinc/03/26/56/369032656.db2.gz QXFIJBUTKRNXAJ-UHFFFAOYSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000036845738 369033564 /nfs/dbraw/zinc/03/35/64/369033564.db2.gz TWGRKPXMPHCLNP-UHFFFAOYSA-N 2 2 289.810 3.462 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000036907680 369037384 /nfs/dbraw/zinc/03/73/84/369037384.db2.gz GASZCDZONSJXLP-XUJVJEKNSA-N 2 2 266.816 3.158 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000036907680 369037388 /nfs/dbraw/zinc/03/73/88/369037388.db2.gz GASZCDZONSJXLP-XUJVJEKNSA-N 2 2 266.816 3.158 20 0 CGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000036932224 369039941 /nfs/dbraw/zinc/03/99/41/369039941.db2.gz ZSABAHROBUFXQH-HNNXBMFYSA-N 2 2 281.403 3.401 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000337289214 376194586 /nfs/dbraw/zinc/19/45/86/376194586.db2.gz LTQMMFAPCHOZOV-DOTOQJQBSA-N 2 2 292.492 3.240 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000337289214 376194595 /nfs/dbraw/zinc/19/45/95/376194595.db2.gz LTQMMFAPCHOZOV-DOTOQJQBSA-N 2 2 292.492 3.240 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140879 369067711 /nfs/dbraw/zinc/06/77/11/369067711.db2.gz YZQDTXRYJWFIRN-AWEZNQCLSA-N 2 2 288.435 3.363 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000037150391 369069212 /nfs/dbraw/zinc/06/92/12/369069212.db2.gz VZVGVWONFMHATP-CYBMUJFWSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000037156994 369072052 /nfs/dbraw/zinc/07/20/52/369072052.db2.gz LOPNANFDEAGOPS-NWDGAFQWSA-N 2 2 295.333 3.224 20 0 CGADLP C[C@H]([NH2+]Cc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041012393 369169508 /nfs/dbraw/zinc/16/95/08/369169508.db2.gz UZNRVGBUUZOCIQ-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP c1csc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000041119763 369175756 /nfs/dbraw/zinc/17/57/56/369175756.db2.gz JFNYPHZOHMDIQL-HNNXBMFYSA-N 2 2 275.421 3.466 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000042519687 369223902 /nfs/dbraw/zinc/22/39/02/369223902.db2.gz HPFSZGGKORSNJD-CYBMUJFWSA-N 2 2 254.443 3.332 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000042519687 369223908 /nfs/dbraw/zinc/22/39/08/369223908.db2.gz HPFSZGGKORSNJD-CYBMUJFWSA-N 2 2 254.443 3.332 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000337289216 376195563 /nfs/dbraw/zinc/19/55/63/376195563.db2.gz LTQMMFAPCHOZOV-NVXWUHKLSA-N 2 2 292.492 3.240 20 0 CGADLP CCSCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000337289216 376195568 /nfs/dbraw/zinc/19/55/68/376195568.db2.gz LTQMMFAPCHOZOV-NVXWUHKLSA-N 2 2 292.492 3.240 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000044685514 369267518 /nfs/dbraw/zinc/26/75/18/369267518.db2.gz IGMDDZZGCCBGML-YPMHNXCESA-N 2 2 264.438 3.252 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000044685514 369267525 /nfs/dbraw/zinc/26/75/25/369267525.db2.gz IGMDDZZGCCBGML-YPMHNXCESA-N 2 2 264.438 3.252 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Br ZINC000045663392 369283780 /nfs/dbraw/zinc/28/37/80/369283780.db2.gz KMJXCNXOXSOUAY-LBPRGKRZSA-N 2 2 299.256 3.442 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@@H]1C ZINC000494890417 244327629 /nfs/dbraw/zinc/32/76/29/244327629.db2.gz FIKBSVYWPAQWDE-NFAWXSAZSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000494999545 244345396 /nfs/dbraw/zinc/34/53/96/244345396.db2.gz RQGAIEUFQSPPSW-MRXNPFEDSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000494999545 244345398 /nfs/dbraw/zinc/34/53/98/244345398.db2.gz RQGAIEUFQSPPSW-MRXNPFEDSA-N 2 2 299.418 3.285 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000053032759 369476540 /nfs/dbraw/zinc/47/65/40/369476540.db2.gz BCTJPSMBUNWESV-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000053032759 369476543 /nfs/dbraw/zinc/47/65/43/369476543.db2.gz BCTJPSMBUNWESV-VXGBXAGGSA-N 2 2 297.240 3.051 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000062077786 369618348 /nfs/dbraw/zinc/61/83/48/369618348.db2.gz ZTSBOOVGEONKTA-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP CC(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667995 370063348 /nfs/dbraw/zinc/06/33/48/370063348.db2.gz YBQDVQKSMRPCEF-GJZGRUSLSA-N 2 2 275.440 3.241 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000090721834 370066874 /nfs/dbraw/zinc/06/68/74/370066874.db2.gz HZXQQYXTVOUHSS-WCQYABFASA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000090721834 370066879 /nfs/dbraw/zinc/06/68/79/370066879.db2.gz HZXQQYXTVOUHSS-WCQYABFASA-N 2 2 286.341 3.278 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043234 370090216 /nfs/dbraw/zinc/09/02/16/370090216.db2.gz OUKXBYZYVIQATM-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043234 370090220 /nfs/dbraw/zinc/09/02/20/370090220.db2.gz OUKXBYZYVIQATM-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043234 370090225 /nfs/dbraw/zinc/09/02/25/370090225.db2.gz OUKXBYZYVIQATM-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@@H]21 ZINC000092043234 370090226 /nfs/dbraw/zinc/09/02/26/370090226.db2.gz OUKXBYZYVIQATM-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093399169 370122042 /nfs/dbraw/zinc/12/20/42/370122042.db2.gz XMCFRMVIEGXAAP-QWHCGFSZSA-N 2 2 293.480 3.014 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093399169 370122044 /nfs/dbraw/zinc/12/20/44/370122044.db2.gz XMCFRMVIEGXAAP-QWHCGFSZSA-N 2 2 293.480 3.014 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563870 370142233 /nfs/dbraw/zinc/14/22/33/370142233.db2.gz LCTDGWKOLUAAHK-OAHLLOKOSA-N 2 2 276.424 3.292 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563870 370142238 /nfs/dbraw/zinc/14/22/38/370142238.db2.gz LCTDGWKOLUAAHK-OAHLLOKOSA-N 2 2 276.424 3.292 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000093644909 370154254 /nfs/dbraw/zinc/15/42/54/370154254.db2.gz RNMTXMMAVHNDQA-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000093644909 370154257 /nfs/dbraw/zinc/15/42/57/370154257.db2.gz RNMTXMMAVHNDQA-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644909 370154263 /nfs/dbraw/zinc/15/42/63/370154263.db2.gz RNMTXMMAVHNDQA-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2F)CC[NH+]1C ZINC000093644909 370154269 /nfs/dbraw/zinc/15/42/69/370154269.db2.gz RNMTXMMAVHNDQA-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097929405 370258877 /nfs/dbraw/zinc/25/88/77/370258877.db2.gz RKKMELUMHXDJIR-MRXNPFEDSA-N 2 2 260.425 3.082 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110112073 370369009 /nfs/dbraw/zinc/36/90/09/370369009.db2.gz XALIRKGRWJGTCT-OAHLLOKOSA-N 2 2 282.391 3.069 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[NH+]1CCCCC1 ZINC000514103428 245108976 /nfs/dbraw/zinc/10/89/76/245108976.db2.gz BOQQCGSAIIJTMQ-CQSZACIVSA-N 2 2 296.405 3.361 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000130653948 371050036 /nfs/dbraw/zinc/05/00/36/371050036.db2.gz JGGCTCVDKAAPKC-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000130653948 371050044 /nfs/dbraw/zinc/05/00/44/371050044.db2.gz JGGCTCVDKAAPKC-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130653948 371050046 /nfs/dbraw/zinc/05/00/46/371050046.db2.gz JGGCTCVDKAAPKC-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH+]1C ZINC000130653948 371050051 /nfs/dbraw/zinc/05/00/51/371050051.db2.gz JGGCTCVDKAAPKC-CMPLNLGQSA-N 2 2 286.341 3.018 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000130705246 371053094 /nfs/dbraw/zinc/05/30/94/371053094.db2.gz BTIJRBFJNZINPQ-ZDUSSCGKSA-N 2 2 283.375 3.383 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000131535046 371113498 /nfs/dbraw/zinc/11/34/98/371113498.db2.gz ZWVYNVKZTFVVHX-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1Cl ZINC000131535046 371113500 /nfs/dbraw/zinc/11/35/00/371113500.db2.gz ZWVYNVKZTFVVHX-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000131766624 371129551 /nfs/dbraw/zinc/12/95/51/371129551.db2.gz WPYPMYICPXRQGF-ROUUACIJSA-N 2 2 281.403 3.284 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000131766624 371129561 /nfs/dbraw/zinc/12/95/61/371129561.db2.gz WPYPMYICPXRQGF-ROUUACIJSA-N 2 2 281.403 3.284 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000132131478 371154525 /nfs/dbraw/zinc/15/45/25/371154525.db2.gz AWOXNOKZRBBWQJ-LEWSCRJBSA-N 2 2 273.405 3.247 20 0 CGADLP CC[N@@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000133869058 371286111 /nfs/dbraw/zinc/28/61/11/371286111.db2.gz BEXJNHWEYMFKCQ-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP CC[N@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000133869058 371286117 /nfs/dbraw/zinc/28/61/17/371286117.db2.gz BEXJNHWEYMFKCQ-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP c1coc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000133688138 371272120 /nfs/dbraw/zinc/27/21/20/371272120.db2.gz KKPPHCDWUKVSOE-RDJZCZTQSA-N 2 2 270.376 3.101 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@H]2CCc2ccccc2)c[nH+]1 ZINC000133755102 371277807 /nfs/dbraw/zinc/27/78/07/371277807.db2.gz ZECFLNLEQQUVRW-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@H]2CCc2ccccc2)c[nH+]1 ZINC000133755102 371277812 /nfs/dbraw/zinc/27/78/12/371277812.db2.gz ZECFLNLEQQUVRW-SFHVURJKSA-N 2 2 283.419 3.370 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000136196593 371466697 /nfs/dbraw/zinc/46/66/97/371466697.db2.gz CMDJZQLYFCJBDG-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000136196593 371466700 /nfs/dbraw/zinc/46/67/00/371466700.db2.gz CMDJZQLYFCJBDG-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000151122087 371571644 /nfs/dbraw/zinc/57/16/44/371571644.db2.gz JLHDNIRKFNSGCX-OAHLLOKOSA-N 2 2 279.334 3.292 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151495096 371607452 /nfs/dbraw/zinc/60/74/52/371607452.db2.gz XJTFHXWWYVBOKO-OAHLLOKOSA-N 2 2 284.407 3.492 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421843075 371664826 /nfs/dbraw/zinc/66/48/26/371664826.db2.gz MFXDEGHGFYFFKC-GFCCVEGCSA-N 2 2 281.831 3.258 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C(C)C)c(F)c1 ZINC000421814651 371638507 /nfs/dbraw/zinc/63/85/07/371638507.db2.gz KCVNHUNMDCUQMQ-KRWDZBQOSA-N 2 2 294.414 3.217 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncc1Cl ZINC000421818556 371639748 /nfs/dbraw/zinc/63/97/48/371639748.db2.gz BLDRDDFCLILKAW-ZDUSSCGKSA-N 2 2 281.831 3.262 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422564089 371752775 /nfs/dbraw/zinc/75/27/75/371752775.db2.gz VEQOOVJTUKNJBU-AGIUHOORSA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422564089 371752788 /nfs/dbraw/zinc/75/27/88/371752788.db2.gz VEQOOVJTUKNJBU-AGIUHOORSA-N 2 2 281.469 3.072 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000422764438 371792700 /nfs/dbraw/zinc/79/27/00/371792700.db2.gz POLXSMNPUZFFDO-RKDXNWHRSA-N 2 2 273.207 3.252 20 0 CGADLP CCOc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422729854 371771135 /nfs/dbraw/zinc/77/11/35/371771135.db2.gz CTBZFVDYUQIBSD-SJORKVTESA-N 2 2 282.387 3.320 20 0 CGADLP CCCc1[nH+]ccn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000153526251 371775437 /nfs/dbraw/zinc/77/54/37/371775437.db2.gz OCZHJLILJLKGJQ-UHFFFAOYSA-N 2 2 280.375 3.129 20 0 CGADLP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422741354 371777798 /nfs/dbraw/zinc/77/77/98/371777798.db2.gz DIKRMNXEDMNSAF-AEFFLSMTSA-N 2 2 284.378 3.409 20 0 CGADLP CCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422749196 371782514 /nfs/dbraw/zinc/78/25/14/371782514.db2.gz XZQOLMXPJWZXSL-DLBZAZTESA-N 2 2 276.424 3.268 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)COC(C)C ZINC000337326815 214009395 /nfs/dbraw/zinc/00/93/95/214009395.db2.gz CQBSGDNCLWHWOB-CQSZACIVSA-N 2 2 289.423 3.138 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422825634 371831355 /nfs/dbraw/zinc/83/13/55/371831355.db2.gz JYKXKUIVSFZWTH-YOEHRIQHSA-N 2 2 276.424 3.094 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422876840 371850105 /nfs/dbraw/zinc/85/01/05/371850105.db2.gz QSQBDBRHKCJOLB-QAPCUYQASA-N 2 2 298.430 3.052 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000154520060 371853641 /nfs/dbraw/zinc/85/36/41/371853641.db2.gz SDVMVTWJPIJYQI-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000154520060 371853646 /nfs/dbraw/zinc/85/36/46/371853646.db2.gz SDVMVTWJPIJYQI-ZBFHGGJFSA-N 2 2 260.425 3.037 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1SC ZINC000154607565 371861948 /nfs/dbraw/zinc/86/19/48/371861948.db2.gz JQDUXMUXVYWYBM-TZMCWYRMSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1SC ZINC000154607565 371861952 /nfs/dbraw/zinc/86/19/52/371861952.db2.gz JQDUXMUXVYWYBM-TZMCWYRMSA-N 2 2 294.464 3.162 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)c1F ZINC000154650950 371865393 /nfs/dbraw/zinc/86/53/93/371865393.db2.gz GZYYIECRHKFUHO-UKRRQHHQSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)c1F ZINC000154650950 371865400 /nfs/dbraw/zinc/86/54/00/371865400.db2.gz GZYYIECRHKFUHO-UKRRQHHQSA-N 2 2 264.388 3.187 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000289994688 371872491 /nfs/dbraw/zinc/87/24/91/371872491.db2.gz KRDUOSIKMANEHI-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000289994688 371872495 /nfs/dbraw/zinc/87/24/95/371872495.db2.gz KRDUOSIKMANEHI-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(F)c1 ZINC000422930102 371875562 /nfs/dbraw/zinc/87/55/62/371875562.db2.gz SDWKMYOHOOXWHV-DLBZAZTESA-N 2 2 286.350 3.069 20 0 CGADLP CC[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000422959534 371893866 /nfs/dbraw/zinc/89/38/66/371893866.db2.gz SNKXIWSWOYOEDQ-HOTGVXAUSA-N 2 2 288.439 3.014 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422990020 371906701 /nfs/dbraw/zinc/90/67/01/371906701.db2.gz BJAHOVNKUCEZQD-MGHWNKPDSA-N 2 2 288.435 3.152 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)c1nccs1 ZINC000290329749 371964087 /nfs/dbraw/zinc/96/40/87/371964087.db2.gz KFOGNXSOJATFJA-ZDUSSCGKSA-N 2 2 275.421 3.172 20 0 CGADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccncc1 ZINC000290354401 371970601 /nfs/dbraw/zinc/97/06/01/371970601.db2.gz MDOKNHNCFLSHCY-QGZVFWFLSA-N 2 2 269.392 3.459 20 0 CGADLP CSCc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423111614 371971886 /nfs/dbraw/zinc/97/18/86/371971886.db2.gz QSIKDKFQSNRKPM-CZUORRHYSA-N 2 2 278.465 3.170 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000290383486 371978659 /nfs/dbraw/zinc/97/86/59/371978659.db2.gz IFMXHIORCGISTO-UHFFFAOYSA-N 2 2 292.452 3.060 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000290383486 371978670 /nfs/dbraw/zinc/97/86/70/371978670.db2.gz IFMXHIORCGISTO-UHFFFAOYSA-N 2 2 292.452 3.060 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000156550753 371984319 /nfs/dbraw/zinc/98/43/19/371984319.db2.gz RJIQQMJBMQAHQI-MSOLQXFVSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000156550753 371984324 /nfs/dbraw/zinc/98/43/24/371984324.db2.gz RJIQQMJBMQAHQI-MSOLQXFVSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000423172959 372002591 /nfs/dbraw/zinc/00/25/91/372002591.db2.gz WCQNAPHJGSXTIW-YIKOMLBNSA-N 2 2 296.817 3.455 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423080412 371952178 /nfs/dbraw/zinc/95/21/78/371952178.db2.gz SLFKAESNEULVKA-DYVFJYSZSA-N 2 2 258.409 3.184 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc2c1 ZINC000423191713 372017394 /nfs/dbraw/zinc/01/73/94/372017394.db2.gz PAGQVHHYZOKFLQ-TZMCWYRMSA-N 2 2 258.365 3.144 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423393006 372060053 /nfs/dbraw/zinc/06/00/53/372060053.db2.gz XZSNLJPNIUNLQP-WBMJQRKESA-N 2 2 264.413 3.407 20 0 CGADLP CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000344153679 217077999 /nfs/dbraw/zinc/07/79/99/217077999.db2.gz YJZFYBTUFCBOSK-UHFFFAOYSA-N 2 2 261.394 3.356 20 0 CGADLP C[C@@H](C[NH2+][C@@H](CC1CCC1)c1ccccc1)[NH+](C)C ZINC000344161118 217078957 /nfs/dbraw/zinc/07/89/57/217078957.db2.gz GAPZYIQWJPAQRX-YOEHRIQHSA-N 2 2 260.425 3.458 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229091 372041238 /nfs/dbraw/zinc/04/12/38/372041238.db2.gz AGGAJVYBKUUVOI-ZANVPECISA-N 2 2 285.218 3.322 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423376556 372056087 /nfs/dbraw/zinc/05/60/87/372056087.db2.gz JMNQCHRYYPSJCO-XOKHGSTOSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000290504518 372004456 /nfs/dbraw/zinc/00/44/56/372004456.db2.gz WSURXCWWXAWDIK-GOSISDBHSA-N 2 2 284.403 3.036 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423177173 372007571 /nfs/dbraw/zinc/00/75/71/372007571.db2.gz AOLSNNLLAUAJRM-OLZOCXBDSA-N 2 2 272.367 3.382 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000423179518 372008669 /nfs/dbraw/zinc/00/86/69/372008669.db2.gz MKDOXQMPLOICBG-LBPRGKRZSA-N 2 2 250.386 3.154 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423186297 372012804 /nfs/dbraw/zinc/01/28/04/372012804.db2.gz OGQTYNUVXAGJCS-GFCCVEGCSA-N 2 2 261.196 3.383 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423426102 372062464 /nfs/dbraw/zinc/06/24/64/372062464.db2.gz MRLOBCKWIROBQD-ROUUACIJSA-N 2 2 270.420 3.042 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671871 541868667 /nfs/dbraw/zinc/86/86/67/541868667.db2.gz JKOVFBHEYKBWQO-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040671871 541868670 /nfs/dbraw/zinc/86/86/70/541868670.db2.gz JKOVFBHEYKBWQO-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040672979 541870083 /nfs/dbraw/zinc/87/00/83/541870083.db2.gz XSWAMJUXJYAKAQ-IRXDYDNUSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040672979 541870084 /nfs/dbraw/zinc/87/00/84/541870084.db2.gz XSWAMJUXJYAKAQ-IRXDYDNUSA-N 2 2 258.409 3.130 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672201 541868822 /nfs/dbraw/zinc/86/88/22/541868822.db2.gz XAKKDOQFWXIGGH-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672201 541868824 /nfs/dbraw/zinc/86/88/24/541868824.db2.gz XAKKDOQFWXIGGH-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP c1cn2c(cccc2CNc2cccc(C3CC3)[nH+]2)[nH+]1 ZINC000292893425 372240360 /nfs/dbraw/zinc/24/03/60/372240360.db2.gz GBHPXHZATPBNPV-UHFFFAOYSA-N 2 2 264.332 3.219 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000428392047 372189517 /nfs/dbraw/zinc/18/95/17/372189517.db2.gz HZTUVMMRAAUAGI-UKRRQHHQSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)o1 ZINC000428392047 372189522 /nfs/dbraw/zinc/18/95/22/372189522.db2.gz HZTUVMMRAAUAGI-UKRRQHHQSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)o1 ZINC000428392047 372189530 /nfs/dbraw/zinc/18/95/30/372189530.db2.gz HZTUVMMRAAUAGI-UKRRQHHQSA-N 2 2 293.455 3.098 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)o1 ZINC000428392047 372189536 /nfs/dbraw/zinc/18/95/36/372189536.db2.gz HZTUVMMRAAUAGI-UKRRQHHQSA-N 2 2 293.455 3.098 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000344295517 217137229 /nfs/dbraw/zinc/13/72/29/217137229.db2.gz TYTPOSLVESUROJ-IRXDYDNUSA-N 2 2 290.451 3.362 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)C[C@@H]1OC ZINC000344284778 217132259 /nfs/dbraw/zinc/13/22/59/217132259.db2.gz GKQOCJLBBNMTAV-CVEARBPZSA-N 2 2 276.424 3.116 20 0 CGADLP c1coc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000162245378 372384371 /nfs/dbraw/zinc/38/43/71/372384371.db2.gz KNUTZLOGCLLENE-UHFFFAOYSA-N 2 2 287.388 3.240 20 0 CGADLP c1coc(C[N@H+](CCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000162245378 372384372 /nfs/dbraw/zinc/38/43/72/372384372.db2.gz KNUTZLOGCLLENE-UHFFFAOYSA-N 2 2 287.388 3.240 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000344343488 217160412 /nfs/dbraw/zinc/16/04/12/217160412.db2.gz CYXQZXNHUBXRJN-RISCZKNCSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@H+]1C ZINC000344343488 217160413 /nfs/dbraw/zinc/16/04/13/217160413.db2.gz CYXQZXNHUBXRJN-RISCZKNCSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252838 372457064 /nfs/dbraw/zinc/45/70/64/372457064.db2.gz NQUPKGYQYZFPMM-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000163252838 372457075 /nfs/dbraw/zinc/45/70/75/372457075.db2.gz NQUPKGYQYZFPMM-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP c1ccc(C[C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000163788535 372491560 /nfs/dbraw/zinc/49/15/60/372491560.db2.gz OZCMMRZLRHFZEQ-SFHVURJKSA-N 2 2 295.430 3.495 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768775 372491952 /nfs/dbraw/zinc/49/19/52/372491952.db2.gz MAEKFHKWBBQFMG-GXSJLCMTSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163768775 372491961 /nfs/dbraw/zinc/49/19/61/372491961.db2.gz MAEKFHKWBBQFMG-GXSJLCMTSA-N 2 2 290.304 3.156 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432237469 372550534 /nfs/dbraw/zinc/55/05/34/372550534.db2.gz HARFBFFWGHNBPD-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432237469 372550542 /nfs/dbraw/zinc/55/05/42/372550542.db2.gz HARFBFFWGHNBPD-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP COc1ccccc1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353363061 220045276 /nfs/dbraw/zinc/04/52/76/220045276.db2.gz KFFVUJCUDRFERP-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1ccccc1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353363061 220045277 /nfs/dbraw/zinc/04/52/77/220045277.db2.gz KFFVUJCUDRFERP-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000294093987 372579999 /nfs/dbraw/zinc/57/99/99/372579999.db2.gz MIDGHMBPCOZOTE-DLBZAZTESA-N 2 2 298.434 3.001 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000168596098 372614592 /nfs/dbraw/zinc/61/45/92/372614592.db2.gz AQSKYJYSXVOUNZ-KBPBESRZSA-N 2 2 256.393 3.441 20 0 CGADLP c1cn(CCCCNc2[nH+]ccc3ccccc32)c[nH+]1 ZINC000168675454 372617118 /nfs/dbraw/zinc/61/71/18/372617118.db2.gz PLMDQXBKAVSDSJ-UHFFFAOYSA-N 2 2 266.348 3.324 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434791462 372712300 /nfs/dbraw/zinc/71/23/00/372712300.db2.gz CXOARUIHVWSPDW-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434791462 372712307 /nfs/dbraw/zinc/71/23/07/372712307.db2.gz CXOARUIHVWSPDW-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000434787834 372712495 /nfs/dbraw/zinc/71/24/95/372712495.db2.gz WKZDGQAVFNIWKX-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435228656 372740581 /nfs/dbraw/zinc/74/05/81/372740581.db2.gz BSJYPBWJLFMXJV-KRWDZBQOSA-N 2 2 296.414 3.045 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435228656 372740585 /nfs/dbraw/zinc/74/05/85/372740585.db2.gz BSJYPBWJLFMXJV-KRWDZBQOSA-N 2 2 296.414 3.045 20 0 CGADLP C[NH2+]CCC[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000435875150 372821642 /nfs/dbraw/zinc/82/16/42/372821642.db2.gz QQZFIJMNSFTDDQ-LBPRGKRZSA-N 2 2 266.816 3.475 20 0 CGADLP C[NH2+]CCC[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000435875150 372821647 /nfs/dbraw/zinc/82/16/47/372821647.db2.gz QQZFIJMNSFTDDQ-LBPRGKRZSA-N 2 2 266.816 3.475 20 0 CGADLP CSc1ccc(CC[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000435741715 372801552 /nfs/dbraw/zinc/80/15/52/372801552.db2.gz QQPGYUJTXQZIHT-UHFFFAOYSA-N 2 2 297.427 3.389 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000295572002 372831014 /nfs/dbraw/zinc/83/10/14/372831014.db2.gz AQZGKHPLQPWOJW-ZFWWWQNUSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000295572002 372831019 /nfs/dbraw/zinc/83/10/19/372831019.db2.gz AQZGKHPLQPWOJW-ZFWWWQNUSA-N 2 2 282.378 3.142 20 0 CGADLP Clc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000171933729 372857872 /nfs/dbraw/zinc/85/78/72/372857872.db2.gz GEBQYDRJUUHIDN-UHFFFAOYSA-N 2 2 281.812 3.435 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438347427 372930601 /nfs/dbraw/zinc/93/06/01/372930601.db2.gz SXEYGCXVCKOUIX-CQSZACIVSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438347427 372930607 /nfs/dbraw/zinc/93/06/07/372930607.db2.gz SXEYGCXVCKOUIX-CQSZACIVSA-N 2 2 257.381 3.202 20 0 CGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442707051 373067393 /nfs/dbraw/zinc/06/73/93/373067393.db2.gz FOORLNHHVKFHSI-OAHLLOKOSA-N 2 2 297.446 3.101 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000296523369 373163354 /nfs/dbraw/zinc/16/33/54/373163354.db2.gz SCUGQGJGXORMDL-FMKPAKJESA-N 2 2 284.407 3.182 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000173315357 373124819 /nfs/dbraw/zinc/12/48/19/373124819.db2.gz IBBZKOKCLHQDEH-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP c1cc(N2CCC([NH2+]c3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000298269765 373293182 /nfs/dbraw/zinc/29/31/82/373293182.db2.gz GGGNJWOFFOTNRR-UHFFFAOYSA-N 2 2 295.386 3.097 20 0 CGADLP COC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000446821954 373367026 /nfs/dbraw/zinc/36/70/26/373367026.db2.gz BGIWXTIOJPNVJN-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353618553 220195377 /nfs/dbraw/zinc/19/53/77/220195377.db2.gz GIKPPYXMBIMDPR-WMZOPIPTSA-N 2 2 290.451 3.147 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353629962 220207501 /nfs/dbraw/zinc/20/75/01/220207501.db2.gz ZPJLOCRBWVGERI-NWDGAFQWSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353629962 220207506 /nfs/dbraw/zinc/20/75/06/220207506.db2.gz ZPJLOCRBWVGERI-NWDGAFQWSA-N 2 2 287.432 3.340 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300668023 373637684 /nfs/dbraw/zinc/63/76/84/373637684.db2.gz LAWXIGAGIGJDHQ-QEJZJMRPSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300668023 373637691 /nfs/dbraw/zinc/63/76/91/373637691.db2.gz LAWXIGAGIGJDHQ-QEJZJMRPSA-N 2 2 250.430 3.051 20 0 CGADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1cccc(F)c1 ZINC000301100556 373660649 /nfs/dbraw/zinc/66/06/49/373660649.db2.gz YBQLRTPPEZXKSO-INIZCTEOSA-N 2 2 298.365 3.417 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccsc2)cn1 ZINC000178413171 373776798 /nfs/dbraw/zinc/77/67/98/373776798.db2.gz PCQDZQYCYJMREL-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP C[N@H+](CCCNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000301281558 373727720 /nfs/dbraw/zinc/72/77/20/373727720.db2.gz XWGNWFCBCUWYGU-UHFFFAOYSA-N 2 2 288.439 3.421 20 0 CGADLP C[N@@H+](CCCNc1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000301281558 373727727 /nfs/dbraw/zinc/72/77/27/373727727.db2.gz XWGNWFCBCUWYGU-UHFFFAOYSA-N 2 2 288.439 3.421 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178312232 373765159 /nfs/dbraw/zinc/76/51/59/373765159.db2.gz WZXYWJJOKVPASN-MRXNPFEDSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178330105 373767536 /nfs/dbraw/zinc/76/75/36/373767536.db2.gz WOULYIVNAJYYJC-LSDHHAIUSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178330105 373767544 /nfs/dbraw/zinc/76/75/44/373767544.db2.gz WOULYIVNAJYYJC-LSDHHAIUSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCC1(F)F ZINC000449495372 373789368 /nfs/dbraw/zinc/78/93/68/373789368.db2.gz OKAQMTKWXVOZLT-AWEZNQCLSA-N 2 2 268.351 3.348 20 0 CGADLP Cc1nc(N(C)CC[N@H+](C)C2CCCCC2)c(C)c(C)[nH+]1 ZINC000301692945 373797149 /nfs/dbraw/zinc/79/71/49/373797149.db2.gz ONOVRJFOQHRZOQ-UHFFFAOYSA-N 2 2 290.455 3.103 20 0 CGADLP Cc1nc(N(C)CC[N@@H+](C)C2CCCCC2)c(C)c(C)[nH+]1 ZINC000301692945 373797150 /nfs/dbraw/zinc/79/71/50/373797150.db2.gz ONOVRJFOQHRZOQ-UHFFFAOYSA-N 2 2 290.455 3.103 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2C2CCC2)[nH+]1 ZINC000179954445 373946985 /nfs/dbraw/zinc/94/69/85/373946985.db2.gz VTNGQKQYNLJACL-OAHLLOKOSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2C2CCC2)[nH+]1 ZINC000179954445 373946988 /nfs/dbraw/zinc/94/69/88/373946988.db2.gz VTNGQKQYNLJACL-OAHLLOKOSA-N 2 2 255.365 3.099 20 0 CGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCCCO1 ZINC000180068519 373961594 /nfs/dbraw/zinc/96/15/94/373961594.db2.gz QIENIAMDPROTNR-MRXNPFEDSA-N 2 2 287.407 3.115 20 0 CGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCCCO1 ZINC000180068519 373961602 /nfs/dbraw/zinc/96/16/02/373961602.db2.gz QIENIAMDPROTNR-MRXNPFEDSA-N 2 2 287.407 3.115 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@@H+]1C ZINC000179754489 373911674 /nfs/dbraw/zinc/91/16/74/373911674.db2.gz LGJGNVZQNOKLTI-OCCSQVGLSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754489 373911681 /nfs/dbraw/zinc/91/16/81/373911681.db2.gz LGJGNVZQNOKLTI-OCCSQVGLSA-N 2 2 294.389 3.416 20 0 CGADLP CCSCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449787735 373919141 /nfs/dbraw/zinc/91/91/41/373919141.db2.gz WEVIZOTVYKMHJX-UHFFFAOYSA-N 2 2 298.418 3.088 20 0 CGADLP CCSCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449787735 373919144 /nfs/dbraw/zinc/91/91/44/373919144.db2.gz WEVIZOTVYKMHJX-UHFFFAOYSA-N 2 2 298.418 3.088 20 0 CGADLP C[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450214767 374002218 /nfs/dbraw/zinc/00/22/18/374002218.db2.gz ZFAROCNUTHYFPW-UHFFFAOYSA-N 2 2 293.773 3.169 20 0 CGADLP C[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450214767 374002223 /nfs/dbraw/zinc/00/22/23/374002223.db2.gz ZFAROCNUTHYFPW-UHFFFAOYSA-N 2 2 293.773 3.169 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C)CC1 ZINC000450301342 374049014 /nfs/dbraw/zinc/04/90/14/374049014.db2.gz VGYKBPGKNCHULW-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C)CC1 ZINC000450301342 374049021 /nfs/dbraw/zinc/04/90/21/374049021.db2.gz VGYKBPGKNCHULW-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H](C)CC1 ZINC000450301342 374049029 /nfs/dbraw/zinc/04/90/29/374049029.db2.gz VGYKBPGKNCHULW-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H](C)CC1 ZINC000450301342 374049035 /nfs/dbraw/zinc/04/90/35/374049035.db2.gz VGYKBPGKNCHULW-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353679922 220250199 /nfs/dbraw/zinc/25/01/99/220250199.db2.gz IDCNVHFATRYIKB-DZGCQCFKSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353679922 220250201 /nfs/dbraw/zinc/25/02/01/220250201.db2.gz IDCNVHFATRYIKB-DZGCQCFKSA-N 2 2 272.417 3.085 20 0 CGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000450471174 374153976 /nfs/dbraw/zinc/15/39/76/374153976.db2.gz VTFRRHFZMIEAHP-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1Cl ZINC000450471174 374153980 /nfs/dbraw/zinc/15/39/80/374153980.db2.gz VTFRRHFZMIEAHP-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000450471174 374153986 /nfs/dbraw/zinc/15/39/86/374153986.db2.gz VTFRRHFZMIEAHP-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1Cl ZINC000450471174 374153989 /nfs/dbraw/zinc/15/39/89/374153989.db2.gz VTFRRHFZMIEAHP-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCCC1(F)F ZINC000450480625 374155712 /nfs/dbraw/zinc/15/57/12/374155712.db2.gz UVTCTXPGJSCZCP-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCCC1(F)F ZINC000450480625 374155720 /nfs/dbraw/zinc/15/57/20/374155720.db2.gz UVTCTXPGJSCZCP-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCC1(F)F ZINC000450480625 374155728 /nfs/dbraw/zinc/15/57/28/374155728.db2.gz UVTCTXPGJSCZCP-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCCC1(F)F ZINC000450480625 374155735 /nfs/dbraw/zinc/15/57/35/374155735.db2.gz UVTCTXPGJSCZCP-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)[NH+](C)C ZINC000451160729 374193813 /nfs/dbraw/zinc/19/38/13/374193813.db2.gz HYKULLUXZLUELD-WBOSRHFRSA-N 2 2 290.451 3.142 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961258 374204708 /nfs/dbraw/zinc/20/47/08/374204708.db2.gz YZETWQUSIOFTRW-GRDNDAEWSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309961258 374204712 /nfs/dbraw/zinc/20/47/12/374204712.db2.gz YZETWQUSIOFTRW-GRDNDAEWSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1Cl)C[NH+](C)C ZINC000310859836 374227798 /nfs/dbraw/zinc/22/77/98/374227798.db2.gz NRCOKVQKIRCZMI-GHMZBOCLSA-N 2 2 272.795 3.327 20 0 CGADLP C[C@H](F)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122601 374242284 /nfs/dbraw/zinc/24/22/84/374242284.db2.gz VDSWBGPOHYTMBJ-NSHDSACASA-N 2 2 284.341 3.083 20 0 CGADLP C[C@H](F)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122601 374242288 /nfs/dbraw/zinc/24/22/88/374242288.db2.gz VDSWBGPOHYTMBJ-NSHDSACASA-N 2 2 284.341 3.083 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000314396105 374317140 /nfs/dbraw/zinc/31/71/40/374317140.db2.gz DCLSUPLSPKHIGN-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319803037 374347719 /nfs/dbraw/zinc/34/77/19/374347719.db2.gz IJVRWYKTDRZXJW-UONOGXRCSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319803037 374347721 /nfs/dbraw/zinc/34/77/21/374347721.db2.gz IJVRWYKTDRZXJW-UONOGXRCSA-N 2 2 297.402 3.282 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000321036048 374352681 /nfs/dbraw/zinc/35/26/81/374352681.db2.gz YLWTXFBFMVJCRB-RDTXWAMCSA-N 2 2 284.403 3.198 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000321036048 374352683 /nfs/dbraw/zinc/35/26/83/374352683.db2.gz YLWTXFBFMVJCRB-RDTXWAMCSA-N 2 2 284.403 3.198 20 0 CGADLP CCC1([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000453273971 374383480 /nfs/dbraw/zinc/38/34/80/374383480.db2.gz ALBCWUMVUAGMES-GOEBONIOSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000453273971 374383486 /nfs/dbraw/zinc/38/34/86/374383486.db2.gz ALBCWUMVUAGMES-GOEBONIOSA-N 2 2 258.409 3.039 20 0 CGADLP CC[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000183468621 374418018 /nfs/dbraw/zinc/41/80/18/374418018.db2.gz WCSWKYFGVGOFFS-UHFFFAOYSA-N 2 2 265.360 3.356 20 0 CGADLP CC[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000183468621 374418022 /nfs/dbraw/zinc/41/80/22/374418022.db2.gz WCSWKYFGVGOFFS-UHFFFAOYSA-N 2 2 265.360 3.356 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000331405150 374529577 /nfs/dbraw/zinc/52/95/77/374529577.db2.gz DZBXRXRACOLHGH-VXGBXAGGSA-N 2 2 281.469 3.190 20 0 CGADLP CCC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000185869040 374756742 /nfs/dbraw/zinc/75/67/42/374756742.db2.gz IJHMHONSVZIGQN-INIZCTEOSA-N 2 2 284.407 3.422 20 0 CGADLP CCC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000185869040 374756746 /nfs/dbraw/zinc/75/67/46/374756746.db2.gz IJHMHONSVZIGQN-INIZCTEOSA-N 2 2 284.407 3.422 20 0 CGADLP C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000186045734 374788118 /nfs/dbraw/zinc/78/81/18/374788118.db2.gz JABHGVSKVPVHBM-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000186045734 374788121 /nfs/dbraw/zinc/78/81/21/374788121.db2.gz JABHGVSKVPVHBM-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1c[nH+]ccc1N ZINC000335012234 375069936 /nfs/dbraw/zinc/06/99/36/375069936.db2.gz XDXRGMKXSDXLHF-NHYWBVRUSA-N 2 2 285.416 3.382 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474369735 375102144 /nfs/dbraw/zinc/10/21/44/375102144.db2.gz JXUJJDDGFALIFB-OCCSQVGLSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474369735 375102149 /nfs/dbraw/zinc/10/21/49/375102149.db2.gz JXUJJDDGFALIFB-OCCSQVGLSA-N 2 2 280.843 3.475 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOC2(C1)CCCCCC2 ZINC000477845312 375145759 /nfs/dbraw/zinc/14/57/59/375145759.db2.gz FKMPUHLJJJXSHL-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCOC2(C1)CCCCCC2 ZINC000477845312 375145766 /nfs/dbraw/zinc/14/57/66/375145766.db2.gz FKMPUHLJJJXSHL-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477845312 375145774 /nfs/dbraw/zinc/14/57/74/375145774.db2.gz FKMPUHLJJJXSHL-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477845312 375145780 /nfs/dbraw/zinc/14/57/80/375145780.db2.gz FKMPUHLJJJXSHL-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP Cc1cc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000335146106 375172787 /nfs/dbraw/zinc/17/27/87/375172787.db2.gz HUFJHTSJLBKOQV-UHFFFAOYSA-N 2 2 291.345 3.307 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000474468299 375112432 /nfs/dbraw/zinc/11/24/32/375112432.db2.gz MGDOOQKPJFOTBJ-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000474468299 375112434 /nfs/dbraw/zinc/11/24/34/375112434.db2.gz MGDOOQKPJFOTBJ-ILXRZTDVSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000188709037 375257653 /nfs/dbraw/zinc/25/76/53/375257653.db2.gz MGDXQLZDSMTNPU-UHFFFAOYSA-N 2 2 289.467 3.318 20 0 CGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553485 375329813 /nfs/dbraw/zinc/32/98/13/375329813.db2.gz XPGGDZSUFDGIBJ-SECBINFHSA-N 2 2 291.247 3.241 20 0 CGADLP CCSc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)ccn1 ZINC000189587238 375417957 /nfs/dbraw/zinc/41/79/57/375417957.db2.gz KXSJXUCJKHFWED-UHFFFAOYSA-N 2 2 298.415 3.131 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000500397287 375635466 /nfs/dbraw/zinc/63/54/66/375635466.db2.gz QCBIIIUVAWQLOB-VDEVMWONSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000500397287 375635468 /nfs/dbraw/zinc/63/54/68/375635468.db2.gz QCBIIIUVAWQLOB-VDEVMWONSA-N 2 2 258.409 3.162 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507473950 375705197 /nfs/dbraw/zinc/70/51/97/375705197.db2.gz WOPSHAKQHWLZPL-VXGBXAGGSA-N 2 2 280.378 3.427 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccnn1C ZINC000192913801 375801880 /nfs/dbraw/zinc/80/18/80/375801880.db2.gz BSQVKICTDVGLQO-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192925958 375803087 /nfs/dbraw/zinc/80/30/87/375803087.db2.gz MLPSRQHUNKAFTF-MRXNPFEDSA-N 3 2 298.434 3.009 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129344674 542055869 /nfs/dbraw/zinc/05/58/69/542055869.db2.gz TXUYUCWTIAHUKT-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129344674 542055874 /nfs/dbraw/zinc/05/58/74/542055874.db2.gz TXUYUCWTIAHUKT-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(Cl)cs1)Cn1cc[nH+]c1 ZINC000193065186 375821535 /nfs/dbraw/zinc/82/15/35/375821535.db2.gz CKFQIGZKAREVOX-SNVBAGLBSA-N 2 2 269.801 3.024 20 0 CGADLP Cc1c[nH+]ccc1NCc1[nH+]ccn1CCc1ccccc1 ZINC000193469769 375883102 /nfs/dbraw/zinc/88/31/02/375883102.db2.gz WJWMGNJDAWEPJD-UHFFFAOYSA-N 2 2 292.386 3.441 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)n1C ZINC000520611493 375867666 /nfs/dbraw/zinc/86/76/66/375867666.db2.gz ORLCYBQVLSROCK-UHFFFAOYSA-N 2 2 279.334 3.130 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194181520 375969008 /nfs/dbraw/zinc/96/90/08/375969008.db2.gz SOKUQZCCRXDCIV-HNNXBMFYSA-N 2 2 285.391 3.017 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000336706442 375912241 /nfs/dbraw/zinc/91/22/41/375912241.db2.gz IODREOFKGKOEEJ-RHSMWYFYSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000336706442 375912246 /nfs/dbraw/zinc/91/22/46/375912246.db2.gz IODREOFKGKOEEJ-RHSMWYFYSA-N 2 2 258.409 3.182 20 0 CGADLP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000193823174 375926590 /nfs/dbraw/zinc/92/65/90/375926590.db2.gz FMXDMPXSRXLHMK-ZDUSSCGKSA-N 2 2 287.432 3.419 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435285 376004628 /nfs/dbraw/zinc/00/46/28/376004628.db2.gz UVSNNFRNLQBBSY-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435285 376004635 /nfs/dbraw/zinc/00/46/35/376004635.db2.gz UVSNNFRNLQBBSY-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435285 376004641 /nfs/dbraw/zinc/00/46/41/376004641.db2.gz UVSNNFRNLQBBSY-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cs3)CC[C@@H]21 ZINC000194435285 376004645 /nfs/dbraw/zinc/00/46/45/376004645.db2.gz UVSNNFRNLQBBSY-RISCZKNCSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313974 376034224 /nfs/dbraw/zinc/03/42/24/376034224.db2.gz OAWCBNKYVZHBMA-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313974 376034229 /nfs/dbraw/zinc/03/42/29/376034229.db2.gz OAWCBNKYVZHBMA-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C2CC2)ccc1F ZINC000536837710 376135855 /nfs/dbraw/zinc/13/58/55/376135855.db2.gz HISPFFFRLVVPRE-CSMYWGQOSA-N 2 2 276.399 3.125 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C2CC2)ccc1F ZINC000536837710 376135861 /nfs/dbraw/zinc/13/58/61/376135861.db2.gz HISPFFFRLVVPRE-CSMYWGQOSA-N 2 2 276.399 3.125 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000215993588 376154610 /nfs/dbraw/zinc/15/46/10/376154610.db2.gz XYZDUKGVMNBUEY-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1Cl ZINC000215993588 376154616 /nfs/dbraw/zinc/15/46/16/376154616.db2.gz XYZDUKGVMNBUEY-ZJUUUORDSA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000337241086 376158963 /nfs/dbraw/zinc/15/89/63/376158963.db2.gz FMVJPWYZKDFDFB-HLLBOEOZSA-N 2 2 278.440 3.081 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)o2)cc1 ZINC000538737377 376266067 /nfs/dbraw/zinc/26/60/67/376266067.db2.gz ZSLYOOVOIQOGQZ-FUHWJXTLSA-N 2 2 296.414 3.439 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)o2)cc1 ZINC000538737377 376266071 /nfs/dbraw/zinc/26/60/71/376266071.db2.gz ZSLYOOVOIQOGQZ-FUHWJXTLSA-N 2 2 296.414 3.439 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000539051946 376288410 /nfs/dbraw/zinc/28/84/10/376288410.db2.gz QYOYWJRDERGPKW-KBPBESRZSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000539051946 376288419 /nfs/dbraw/zinc/28/84/19/376288419.db2.gz QYOYWJRDERGPKW-KBPBESRZSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000539046636 376288605 /nfs/dbraw/zinc/28/86/05/376288605.db2.gz LYIYXAZDRHLDLQ-HDMKZQKVSA-N 2 2 274.452 3.281 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000539046636 376288606 /nfs/dbraw/zinc/28/86/06/376288606.db2.gz LYIYXAZDRHLDLQ-HDMKZQKVSA-N 2 2 274.452 3.281 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+]C3CCOCC3)ccc2n1C1CC1 ZINC000338434698 376376110 /nfs/dbraw/zinc/37/61/10/376376110.db2.gz IHVAAJWMXQQTQF-UHFFFAOYSA-N 2 2 299.418 3.202 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000541206604 376427061 /nfs/dbraw/zinc/42/70/61/376427061.db2.gz GBQXEQCFNOLOED-NFOMZHRRSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000541206604 376427066 /nfs/dbraw/zinc/42/70/66/376427066.db2.gz GBQXEQCFNOLOED-NFOMZHRRSA-N 2 2 276.399 3.003 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227541217 376398860 /nfs/dbraw/zinc/39/88/60/376398860.db2.gz AWOXNOKZRBBWQJ-GDLCADMTSA-N 2 2 273.405 3.247 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000541846896 376486759 /nfs/dbraw/zinc/48/67/59/376486759.db2.gz JWYBYUCPXAHMFG-TUFGIGEDSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000541846896 376486764 /nfs/dbraw/zinc/48/67/64/376486764.db2.gz JWYBYUCPXAHMFG-TUFGIGEDSA-N 2 2 284.447 3.382 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000231746127 376568291 /nfs/dbraw/zinc/56/82/91/376568291.db2.gz WDFBRQMBRUSGDE-LBPRGKRZSA-N 2 2 263.772 3.023 20 0 CGADLP FC1(F)CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000334321883 206365967 /nfs/dbraw/zinc/36/59/67/206365967.db2.gz XITKMZJYOYKAMJ-UHFFFAOYSA-N 2 2 265.307 3.002 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000235498216 376641220 /nfs/dbraw/zinc/64/12/20/376641220.db2.gz HTIKCQJZBDKETE-GFCCVEGCSA-N 2 2 263.772 3.023 20 0 CGADLP CC(C)[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544348209 376722010 /nfs/dbraw/zinc/72/20/10/376722010.db2.gz CLFHZDUOUDXLON-ZDUSSCGKSA-N 2 2 275.421 3.412 20 0 CGADLP CC(C)[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544348209 376722032 /nfs/dbraw/zinc/72/20/32/376722032.db2.gz CLFHZDUOUDXLON-ZDUSSCGKSA-N 2 2 275.421 3.412 20 0 CGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000237016109 376724232 /nfs/dbraw/zinc/72/42/32/376724232.db2.gz TZVMTDXJNDNWPV-MLGOLLRUSA-N 2 2 299.374 3.186 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237027081 376727349 /nfs/dbraw/zinc/72/73/49/376727349.db2.gz LCKYIDRMGPAUPC-MSOLQXFVSA-N 2 2 272.436 3.105 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156290515 542127583 /nfs/dbraw/zinc/12/75/83/542127583.db2.gz MPMJBYNPIUTQFI-GXTWGEPZSA-N 2 2 259.397 3.209 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695614 542137837 /nfs/dbraw/zinc/13/78/37/542137837.db2.gz OBAWWNHATRSNPG-FUHWJXTLSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695614 542137841 /nfs/dbraw/zinc/13/78/41/542137841.db2.gz OBAWWNHATRSNPG-FUHWJXTLSA-N 2 2 288.435 3.220 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000245581777 376860308 /nfs/dbraw/zinc/86/03/08/376860308.db2.gz CSUAXBKYBKBJMV-UONOGXRCSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000245581777 376860319 /nfs/dbraw/zinc/86/03/19/376860319.db2.gz CSUAXBKYBKBJMV-UONOGXRCSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000245581777 376860326 /nfs/dbraw/zinc/86/03/26/376860326.db2.gz CSUAXBKYBKBJMV-UONOGXRCSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@@H](c1ccco1)[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000245581777 376860336 /nfs/dbraw/zinc/86/03/36/376860336.db2.gz CSUAXBKYBKBJMV-UONOGXRCSA-N 2 2 262.397 3.289 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(n1)CCC2 ZINC000556787368 376878698 /nfs/dbraw/zinc/87/86/98/376878698.db2.gz QZEOVSWNIUEJSF-UHFFFAOYSA-N 2 2 289.467 3.124 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(n1)CCC2 ZINC000556787368 376878706 /nfs/dbraw/zinc/87/87/06/376878706.db2.gz QZEOVSWNIUEJSF-UHFFFAOYSA-N 2 2 289.467 3.124 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000340104137 376918429 /nfs/dbraw/zinc/91/84/29/376918429.db2.gz GHXYHNHCTWVGAM-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccncc1F ZINC000340204915 376948697 /nfs/dbraw/zinc/94/86/97/376948697.db2.gz IPTCFIKSQYXNFD-GFCCVEGCSA-N 2 2 298.365 3.380 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000340258520 376968071 /nfs/dbraw/zinc/96/80/71/376968071.db2.gz HTEMPDDXWZVYGV-VNQPRFMTSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000340258520 376968079 /nfs/dbraw/zinc/96/80/79/376968079.db2.gz HTEMPDDXWZVYGV-VNQPRFMTSA-N 2 2 262.441 3.172 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)c1 ZINC000340418582 377047536 /nfs/dbraw/zinc/04/75/36/377047536.db2.gz IKFCPYXPKRSOPO-KVWWFHCMSA-N 2 2 299.462 3.214 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475245 377087871 /nfs/dbraw/zinc/08/78/71/377087871.db2.gz MHZZAOUBKYNQIK-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475245 377087880 /nfs/dbraw/zinc/08/78/80/377087880.db2.gz MHZZAOUBKYNQIK-DOTOQJQBSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)no1 ZINC000340476877 377088323 /nfs/dbraw/zinc/08/83/23/377088323.db2.gz IRKLEBSGVDCOHY-JSGCOSHPSA-N 2 2 267.417 3.000 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475249 377088696 /nfs/dbraw/zinc/08/86/96/377088696.db2.gz MHZZAOUBKYNQIK-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475249 377088701 /nfs/dbraw/zinc/08/87/01/377088701.db2.gz MHZZAOUBKYNQIK-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000559906129 377107373 /nfs/dbraw/zinc/10/73/73/377107373.db2.gz SKMZPFAOSLVMBP-GOSISDBHSA-N 2 2 284.447 3.174 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000340534274 377129457 /nfs/dbraw/zinc/12/94/57/377129457.db2.gz KAUVUNJVCSZUMK-LSDHHAIUSA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)no1 ZINC000340534274 377129466 /nfs/dbraw/zinc/12/94/66/377129466.db2.gz KAUVUNJVCSZUMK-LSDHHAIUSA-N 2 2 279.428 3.002 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000247046106 377148024 /nfs/dbraw/zinc/14/80/24/377148024.db2.gz MZSBFNTVLILEJS-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000247046106 377148034 /nfs/dbraw/zinc/14/80/34/377148034.db2.gz MZSBFNTVLILEJS-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC(C)[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000561981090 377259032 /nfs/dbraw/zinc/25/90/32/377259032.db2.gz VMPSGBXCVVJCDB-SFHVURJKSA-N 2 2 272.436 3.206 20 0 CGADLP CC(C)[C@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000561981090 377259037 /nfs/dbraw/zinc/25/90/37/377259037.db2.gz VMPSGBXCVVJCDB-SFHVURJKSA-N 2 2 272.436 3.206 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000562522624 377323392 /nfs/dbraw/zinc/32/33/92/377323392.db2.gz YBGMICBUMJTZAO-VNHYZAJKSA-N 2 2 261.413 3.134 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000562564385 377331669 /nfs/dbraw/zinc/33/16/69/377331669.db2.gz GCRRTPXZNRQISQ-KGLIPLIRSA-N 2 2 263.429 3.483 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562564636 377332221 /nfs/dbraw/zinc/33/22/21/377332221.db2.gz IMFZORXKMBQEJA-CQSZACIVSA-N 2 2 275.440 3.465 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248538079 377341144 /nfs/dbraw/zinc/34/11/44/377341144.db2.gz AGXYWFNAKQYHJC-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248538079 377341151 /nfs/dbraw/zinc/34/11/51/377341151.db2.gz AGXYWFNAKQYHJC-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248538079 377341162 /nfs/dbraw/zinc/34/11/62/377341162.db2.gz AGXYWFNAKQYHJC-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248538079 377341173 /nfs/dbraw/zinc/34/11/73/377341173.db2.gz AGXYWFNAKQYHJC-ZBFHGGJFSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562058974 377272522 /nfs/dbraw/zinc/27/25/22/377272522.db2.gz YNONARYJHVESAO-FDPIWHGQSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000562058974 377272526 /nfs/dbraw/zinc/27/25/26/377272526.db2.gz YNONARYJHVESAO-FDPIWHGQSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562794031 377364106 /nfs/dbraw/zinc/36/41/06/377364106.db2.gz RMEZVLPMDZOWKT-HNNXBMFYSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@@H+]1C1CC1 ZINC000249060168 377452891 /nfs/dbraw/zinc/45/28/91/377452891.db2.gz HOLWARICXBOIDU-APIJFGDWSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)CC2)C[N@H+]1C1CC1 ZINC000249060168 377452897 /nfs/dbraw/zinc/45/28/97/377452897.db2.gz HOLWARICXBOIDU-APIJFGDWSA-N 2 2 250.430 3.170 20 0 CGADLP c1[nH]c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341218111 377451452 /nfs/dbraw/zinc/45/14/52/377451452.db2.gz OLUFSZVQCHLDFT-SFHVURJKSA-N 2 2 293.370 3.320 20 0 CGADLP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341270384 377480196 /nfs/dbraw/zinc/48/01/96/377480196.db2.gz LQMXVVAVSVISQA-MAUKXSAKSA-N 2 2 299.418 3.085 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268093 377482789 /nfs/dbraw/zinc/48/27/89/377482789.db2.gz JOESSOYHGRGVOS-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268093 377482791 /nfs/dbraw/zinc/48/27/91/377482791.db2.gz JOESSOYHGRGVOS-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268093 377482795 /nfs/dbraw/zinc/48/27/95/377482795.db2.gz JOESSOYHGRGVOS-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)CC[C@H]21 ZINC000249268093 377482797 /nfs/dbraw/zinc/48/27/97/377482797.db2.gz JOESSOYHGRGVOS-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)CC2 ZINC000092836202 249036193 /nfs/dbraw/zinc/03/61/93/249036193.db2.gz SOOIWKBUZMROQL-CRAIPNDOSA-N 2 2 290.451 3.248 20 0 CGADLP CCc1[nH+]c(C)ccc1OCCC[NH+]1CCCCC1 ZINC000341385147 377540245 /nfs/dbraw/zinc/54/02/45/377540245.db2.gz HIALUNZWYDEYCQ-UHFFFAOYSA-N 2 2 262.397 3.207 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C(C)(C)C)s2)c1 ZINC000313252278 249089956 /nfs/dbraw/zinc/08/99/56/249089956.db2.gz NTQIEBOSVRUQLY-UHFFFAOYSA-N 2 2 277.437 3.111 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000312597480 249081744 /nfs/dbraw/zinc/08/17/44/249081744.db2.gz HOLJZURFCKTPSA-MRVPVSSYSA-N 2 2 290.219 3.430 20 0 CGADLP Clc1cc(C[NH2+]CCn2cc[nH+]c2)c(Cl)s1 ZINC000312639493 249081796 /nfs/dbraw/zinc/08/17/96/249081796.db2.gz FJGWOMLJIDZJTD-UHFFFAOYSA-N 2 2 276.192 3.041 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)[NH+](C)C ZINC000312706640 249082832 /nfs/dbraw/zinc/08/28/32/249082832.db2.gz SGLQTNXZYAVQAN-MVJTYMMSSA-N 2 2 274.452 3.499 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313296384 249091131 /nfs/dbraw/zinc/09/11/31/249091131.db2.gz LALRHICCDHHIMR-QGZVFWFLSA-N 2 2 271.408 3.266 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357856 249126340 /nfs/dbraw/zinc/12/63/40/249126340.db2.gz RGMYOBMGVYTLPF-KRWDZBQOSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421357856 249126344 /nfs/dbraw/zinc/12/63/44/249126344.db2.gz RGMYOBMGVYTLPF-KRWDZBQOSA-N 2 2 281.403 3.287 20 0 CGADLP CCCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1OC ZINC000459499982 249151717 /nfs/dbraw/zinc/15/17/17/249151717.db2.gz DCXJRCACVDROOU-IAGOWNOFSA-N 2 2 293.455 3.022 20 0 CGADLP CCCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1OC ZINC000459499982 249151720 /nfs/dbraw/zinc/15/17/20/249151720.db2.gz DCXJRCACVDROOU-IAGOWNOFSA-N 2 2 293.455 3.022 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000251440918 377582815 /nfs/dbraw/zinc/58/28/15/377582815.db2.gz BCTJPSMBUNWESV-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC000251440918 377582818 /nfs/dbraw/zinc/58/28/18/377582818.db2.gz BCTJPSMBUNWESV-NEPJUHHUSA-N 2 2 297.240 3.051 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000516117348 249226075 /nfs/dbraw/zinc/22/60/75/249226075.db2.gz BICLIMYUCKGWDP-UKRRQHHQSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000516117348 249226076 /nfs/dbraw/zinc/22/60/76/249226076.db2.gz BICLIMYUCKGWDP-UKRRQHHQSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000516117348 249226077 /nfs/dbraw/zinc/22/60/77/249226077.db2.gz BICLIMYUCKGWDP-UKRRQHHQSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000516117348 249226078 /nfs/dbraw/zinc/22/60/78/249226078.db2.gz BICLIMYUCKGWDP-UKRRQHHQSA-N 2 2 295.496 3.114 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000516187189 249228216 /nfs/dbraw/zinc/22/82/16/249228216.db2.gz KXHGZFZATJVRTO-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000516187189 249228218 /nfs/dbraw/zinc/22/82/18/249228218.db2.gz KXHGZFZATJVRTO-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000516187188 249228442 /nfs/dbraw/zinc/22/84/42/249228442.db2.gz KXHGZFZATJVRTO-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000516187188 249228443 /nfs/dbraw/zinc/22/84/43/249228443.db2.gz KXHGZFZATJVRTO-AWEZNQCLSA-N 2 2 289.810 3.371 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1cc(F)ccc1F ZINC000573863823 377588611 /nfs/dbraw/zinc/58/86/11/377588611.db2.gz ZTHGEUVCNUTMPI-HNNXBMFYSA-N 2 2 279.334 3.248 20 0 CGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251602074 377590038 /nfs/dbraw/zinc/59/00/38/377590038.db2.gz DDHIWPNBGVGLFS-ZWNOBZJWSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251602074 377590045 /nfs/dbraw/zinc/59/00/45/377590045.db2.gz DDHIWPNBGVGLFS-ZWNOBZJWSA-N 2 2 293.461 3.041 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000518979719 249289640 /nfs/dbraw/zinc/28/96/40/249289640.db2.gz RGGGMDTZOBEFLX-MSOLQXFVSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000518979719 249289643 /nfs/dbraw/zinc/28/96/43/249289643.db2.gz RGGGMDTZOBEFLX-MSOLQXFVSA-N 2 2 288.435 3.214 20 0 CGADLP CCC[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341834519 377619307 /nfs/dbraw/zinc/61/93/07/377619307.db2.gz KUZUQHALNDPPPC-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341834519 377619316 /nfs/dbraw/zinc/61/93/16/377619316.db2.gz KUZUQHALNDPPPC-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341834519 377619321 /nfs/dbraw/zinc/61/93/21/377619321.db2.gz KUZUQHALNDPPPC-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCC[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341834519 377619328 /nfs/dbraw/zinc/61/93/28/377619328.db2.gz KUZUQHALNDPPPC-GOSISDBHSA-N 2 2 290.451 3.009 20 0 CGADLP CCc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000574163991 377628582 /nfs/dbraw/zinc/62/85/82/377628582.db2.gz KRQLSCANPZVGPG-UHFFFAOYSA-N 2 2 295.430 3.403 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000574441894 377664233 /nfs/dbraw/zinc/66/42/33/377664233.db2.gz FDAGGJMWNGNPNG-MJBXVCDLSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000574441894 377664240 /nfs/dbraw/zinc/66/42/40/377664240.db2.gz FDAGGJMWNGNPNG-MJBXVCDLSA-N 2 2 263.429 3.317 20 0 CGADLP CCSc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000574584943 377683293 /nfs/dbraw/zinc/68/32/93/377683293.db2.gz NUBJLVNEANYPDR-UHFFFAOYSA-N 2 2 275.421 3.130 20 0 CGADLP COc1ccccc1C[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000261548151 377815513 /nfs/dbraw/zinc/81/55/13/377815513.db2.gz NEWGAQJUXVFXHA-INIZCTEOSA-N 2 2 298.430 3.087 20 0 CGADLP COc1ccccc1C[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000261548151 377815517 /nfs/dbraw/zinc/81/55/17/377815517.db2.gz NEWGAQJUXVFXHA-INIZCTEOSA-N 2 2 298.430 3.087 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000261545957 377816250 /nfs/dbraw/zinc/81/62/50/377816250.db2.gz GLXJGWNGYLBATC-ZDUSSCGKSA-N 2 2 275.223 3.456 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@H]12 ZINC000262010929 377878762 /nfs/dbraw/zinc/87/87/62/377878762.db2.gz VAFJHMAMHKJEQC-UJNFCWOMSA-N 2 2 291.247 3.224 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@H]12 ZINC000262010929 377878770 /nfs/dbraw/zinc/87/87/70/377878770.db2.gz VAFJHMAMHKJEQC-UJNFCWOMSA-N 2 2 291.247 3.224 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262125360 377888604 /nfs/dbraw/zinc/88/86/04/377888604.db2.gz XQVUZWRTCPZRCA-RDTXWAMCSA-N 2 2 296.414 3.141 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262125360 377888612 /nfs/dbraw/zinc/88/86/12/377888612.db2.gz XQVUZWRTCPZRCA-RDTXWAMCSA-N 2 2 296.414 3.141 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261855780 377861111 /nfs/dbraw/zinc/86/11/11/377861111.db2.gz TZHQCQDZIAJAJB-CZUORRHYSA-N 2 2 296.817 3.210 20 0 CGADLP F[C@]1(c2cccc(Cl)c2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261855780 377861118 /nfs/dbraw/zinc/86/11/18/377861118.db2.gz TZHQCQDZIAJAJB-CZUORRHYSA-N 2 2 296.817 3.210 20 0 CGADLP Cc1cccc(CCCNc2cc(C)[nH+]c(C(C)C)n2)[nH+]1 ZINC000343232417 377935053 /nfs/dbraw/zinc/93/50/53/377935053.db2.gz DCXUELLTWAYJSZ-UHFFFAOYSA-N 2 2 284.407 3.078 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576033238 378008583 /nfs/dbraw/zinc/00/85/83/378008583.db2.gz FQOLUUZVZCUCGG-QMTHXVAHSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576033238 378008587 /nfs/dbraw/zinc/00/85/87/378008587.db2.gz FQOLUUZVZCUCGG-QMTHXVAHSA-N 2 2 287.794 3.198 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000343548469 378016523 /nfs/dbraw/zinc/01/65/23/378016523.db2.gz KDTJVDJCNSNSFH-CVEARBPZSA-N 2 2 287.451 3.072 20 0 CGADLP c1cn(C2CCN(c3cc[nH+]c4ccccc43)CC2)c[nH+]1 ZINC000264836912 377994516 /nfs/dbraw/zinc/99/45/16/377994516.db2.gz IYVQHZOYVUNDOU-UHFFFAOYSA-N 2 2 278.359 3.273 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515668 378003494 /nfs/dbraw/zinc/00/34/94/378003494.db2.gz AARQTUIIGYMURW-WMLDXEAASA-N 2 2 292.471 3.077 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515668 378003497 /nfs/dbraw/zinc/00/34/97/378003497.db2.gz AARQTUIIGYMURW-WMLDXEAASA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515668 378003501 /nfs/dbraw/zinc/00/35/01/378003501.db2.gz AARQTUIIGYMURW-WMLDXEAASA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C[C@@H]1C ZINC000343515668 378003507 /nfs/dbraw/zinc/00/35/07/378003507.db2.gz AARQTUIIGYMURW-WMLDXEAASA-N 2 2 292.471 3.077 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C(C)(C)C ZINC000343515715 378003639 /nfs/dbraw/zinc/00/36/39/378003639.db2.gz TWBRJHIJFUWYMB-OAHLLOKOSA-N 2 2 284.488 3.290 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515666 378004042 /nfs/dbraw/zinc/00/40/42/378004042.db2.gz AARQTUIIGYMURW-PBHICJAKSA-N 2 2 292.471 3.077 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515666 378004047 /nfs/dbraw/zinc/00/40/47/378004047.db2.gz AARQTUIIGYMURW-PBHICJAKSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515666 378004049 /nfs/dbraw/zinc/00/40/49/378004049.db2.gz AARQTUIIGYMURW-PBHICJAKSA-N 2 2 292.471 3.077 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C(C)C)nc2C)C[C@H]1C ZINC000343515666 378004053 /nfs/dbraw/zinc/00/40/53/378004053.db2.gz AARQTUIIGYMURW-PBHICJAKSA-N 2 2 292.471 3.077 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cs1 ZINC000343624556 378044353 /nfs/dbraw/zinc/04/43/53/378044353.db2.gz PZYTUQKQFQSHIN-UHFFFAOYSA-N 2 2 272.845 3.319 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cs1 ZINC000343624556 378044359 /nfs/dbraw/zinc/04/43/59/378044359.db2.gz PZYTUQKQFQSHIN-UHFFFAOYSA-N 2 2 272.845 3.319 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000343560943 378021697 /nfs/dbraw/zinc/02/16/97/378021697.db2.gz HMSIMIFQHTUNGJ-QAPCUYQASA-N 2 2 290.451 3.043 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343560943 378021700 /nfs/dbraw/zinc/02/17/00/378021700.db2.gz HMSIMIFQHTUNGJ-QAPCUYQASA-N 2 2 290.451 3.043 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579242072 378143345 /nfs/dbraw/zinc/14/33/45/378143345.db2.gz DHAPGIIXYTUAAT-RDBSUJKOSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579242072 378143348 /nfs/dbraw/zinc/14/33/48/378143348.db2.gz DHAPGIIXYTUAAT-RDBSUJKOSA-N 2 2 261.413 3.071 20 0 CGADLP c1cn(-c2csc(C[NH+]3C[C@@H]4CCC[C@H]4C3)c2)c[nH+]1 ZINC000346192105 217834304 /nfs/dbraw/zinc/83/43/04/217834304.db2.gz CUPHZNCOTPKSRM-STQMWFEESA-N 2 2 273.405 3.166 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc2cc(F)ccc2o1)Cn1cc[nH+]c1 ZINC000343796614 378095110 /nfs/dbraw/zinc/09/51/10/378095110.db2.gz SXWKUOZEAAIINS-LBPRGKRZSA-N 2 2 287.338 3.194 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000343826240 378105426 /nfs/dbraw/zinc/10/54/26/378105426.db2.gz AHXIKJZZQPNONS-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000268770322 378106351 /nfs/dbraw/zinc/10/63/51/378106351.db2.gz PNTQRUBWLBEGDU-AWEZNQCLSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000582312385 378303118 /nfs/dbraw/zinc/30/31/18/378303118.db2.gz WHTQRLZASBXWSK-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@H+]1CCCC[C@H]1C ZINC000582312385 378303122 /nfs/dbraw/zinc/30/31/22/378303122.db2.gz WHTQRLZASBXWSK-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CC2)Cc1ccccc1 ZINC000583511334 378327368 /nfs/dbraw/zinc/32/73/68/378327368.db2.gz ZHBVYKSDXWLICL-DLBZAZTESA-N 2 2 272.436 3.082 20 0 CGADLP Cc1[nH]c(CNc2ccc(C[NH+]3CCCC3)cc2)[nH+]c1C ZINC000584004915 378365177 /nfs/dbraw/zinc/36/51/77/378365177.db2.gz ABTUBRRMURWOJT-UHFFFAOYSA-N 2 2 284.407 3.234 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346074629 378455912 /nfs/dbraw/zinc/45/59/12/378455912.db2.gz ORPAYIDGPAUKAG-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346074629 378455919 /nfs/dbraw/zinc/45/59/19/378455919.db2.gz ORPAYIDGPAUKAG-CQSZACIVSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346074625 378456512 /nfs/dbraw/zinc/45/65/12/378456512.db2.gz ORPAYIDGPAUKAG-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000346074625 378456518 /nfs/dbraw/zinc/45/65/18/378456518.db2.gz ORPAYIDGPAUKAG-AWEZNQCLSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000346109121 378465806 /nfs/dbraw/zinc/46/58/06/378465806.db2.gz UPJYPGIEQSXTBX-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000346109121 378465813 /nfs/dbraw/zinc/46/58/13/378465813.db2.gz UPJYPGIEQSXTBX-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930077 378521173 /nfs/dbraw/zinc/52/11/73/378521173.db2.gz MIABNWASKLTNPD-UKRRQHHQSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930077 378521176 /nfs/dbraw/zinc/52/11/76/378521176.db2.gz MIABNWASKLTNPD-UKRRQHHQSA-N 2 2 273.380 3.122 20 0 CGADLP Fc1cccc(F)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271215943 378483159 /nfs/dbraw/zinc/48/31/59/378483159.db2.gz XHTHPVFEJVSCTB-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000346175173 378491903 /nfs/dbraw/zinc/49/19/03/378491903.db2.gz NIYJZCZSCGUCGW-ILXRZTDVSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000346175173 378491909 /nfs/dbraw/zinc/49/19/09/378491909.db2.gz NIYJZCZSCGUCGW-ILXRZTDVSA-N 2 2 261.413 3.415 20 0 CGADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346182303 378495577 /nfs/dbraw/zinc/49/55/77/378495577.db2.gz RWYOLVVDOFWOFR-UHFFFAOYSA-N 2 2 261.394 3.307 20 0 CGADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346182303 378495584 /nfs/dbraw/zinc/49/55/84/378495584.db2.gz RWYOLVVDOFWOFR-UHFFFAOYSA-N 2 2 261.394 3.307 20 0 CGADLP Clc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000271988513 378539032 /nfs/dbraw/zinc/53/90/32/378539032.db2.gz PPWUAUKPBXGNJA-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000271988513 378539038 /nfs/dbraw/zinc/53/90/38/378539038.db2.gz PPWUAUKPBXGNJA-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@@H+]1C ZINC000346319218 378542241 /nfs/dbraw/zinc/54/22/41/378542241.db2.gz FCBFVXSUUWSFGO-BZVDIIDJSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@H+]1C ZINC000346319218 378542243 /nfs/dbraw/zinc/54/22/43/378542243.db2.gz FCBFVXSUUWSFGO-BZVDIIDJSA-N 2 2 276.399 3.144 20 0 CGADLP COC(C)(C)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346482764 217920113 /nfs/dbraw/zinc/92/01/13/217920113.db2.gz DBXXYRUXONVOIW-CQSZACIVSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000346542605 378612715 /nfs/dbraw/zinc/61/27/15/378612715.db2.gz WROZPNFOOFUVNF-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000346542605 378612721 /nfs/dbraw/zinc/61/27/21/378612721.db2.gz WROZPNFOOFUVNF-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2csc(C)c2C)CC1 ZINC000637886598 378616037 /nfs/dbraw/zinc/61/60/37/378616037.db2.gz JAZUBSLDFZUNPN-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2csc(C)c2C)CC1 ZINC000637886598 378616039 /nfs/dbraw/zinc/61/60/39/378616039.db2.gz JAZUBSLDFZUNPN-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP C[N@H+](Cc1csc(-c2cccs2)n1)CC(C)(C)C[NH3+] ZINC000346654120 378663128 /nfs/dbraw/zinc/66/31/28/378663128.db2.gz RLULGANNEDMTCG-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP C[N@@H+](Cc1csc(-c2cccs2)n1)CC(C)(C)C[NH3+] ZINC000346654120 378663133 /nfs/dbraw/zinc/66/31/33/378663133.db2.gz RLULGANNEDMTCG-UHFFFAOYSA-N 2 2 295.477 3.288 20 0 CGADLP Cc1nc(NCc2ccccc2C[N@@H+](C)C(C)C)cc[nH+]1 ZINC000266152477 190235178 /nfs/dbraw/zinc/23/51/78/190235178.db2.gz UFOCOCDUBHWKLA-UHFFFAOYSA-N 2 2 284.407 3.237 20 0 CGADLP Cc1nc(NCc2ccccc2C[N@H+](C)C(C)C)cc[nH+]1 ZINC000266152477 190235179 /nfs/dbraw/zinc/23/51/79/190235179.db2.gz UFOCOCDUBHWKLA-UHFFFAOYSA-N 2 2 284.407 3.237 20 0 CGADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000638017155 378669637 /nfs/dbraw/zinc/66/96/37/378669637.db2.gz DPSGKBALTZJOKS-ZDUSSCGKSA-N 2 2 292.333 3.053 20 0 CGADLP FC(F)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000638017155 378669643 /nfs/dbraw/zinc/66/96/43/378669643.db2.gz DPSGKBALTZJOKS-ZDUSSCGKSA-N 2 2 292.333 3.053 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000346689196 378677018 /nfs/dbraw/zinc/67/70/18/378677018.db2.gz ZHJDRFXZCKOKKM-ZDUSSCGKSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000346689196 378677023 /nfs/dbraw/zinc/67/70/23/378677023.db2.gz ZHJDRFXZCKOKKM-ZDUSSCGKSA-N 2 2 283.485 3.246 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110748 378702436 /nfs/dbraw/zinc/70/24/36/378702436.db2.gz PJBVIKIIFNFQQF-GXTWGEPZSA-N 2 2 297.393 3.324 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110748 378702438 /nfs/dbraw/zinc/70/24/38/378702438.db2.gz PJBVIKIIFNFQQF-GXTWGEPZSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110748 378702442 /nfs/dbraw/zinc/70/24/42/378702442.db2.gz PJBVIKIIFNFQQF-GXTWGEPZSA-N 2 2 297.393 3.324 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638110748 378702446 /nfs/dbraw/zinc/70/24/46/378702446.db2.gz PJBVIKIIFNFQQF-GXTWGEPZSA-N 2 2 297.393 3.324 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CCC[C@@H]2CCO2)[NH+](C)C)cc1 ZINC000638287470 378755337 /nfs/dbraw/zinc/75/53/37/378755337.db2.gz FDJYITYAWWSJOX-MSOLQXFVSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000638287223 378756513 /nfs/dbraw/zinc/75/65/13/378756513.db2.gz SDTROEWZASEBCH-CWRNSKLLSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638340970 378773622 /nfs/dbraw/zinc/77/36/22/378773622.db2.gz HEIHDRKNIVFVQL-IUODEOHRSA-N 2 2 291.345 3.065 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000638358287 378775786 /nfs/dbraw/zinc/77/57/86/378775786.db2.gz BFFHBRVUCUEHLL-BZUAXINKSA-N 2 2 261.413 3.386 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000274183563 378788840 /nfs/dbraw/zinc/78/88/40/378788840.db2.gz DQIJKSYRQWNKJU-CVEARBPZSA-N 2 2 276.424 3.114 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000348101644 378791527 /nfs/dbraw/zinc/79/15/27/378791527.db2.gz IQCYBHBOJKIGIW-SJORKVTESA-N 2 2 269.392 3.210 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)ccc1-n1cc[nH+]c1 ZINC000348107256 378795560 /nfs/dbraw/zinc/79/55/60/378795560.db2.gz VTBWNDOAMGHTKI-GDBMZVCRSA-N 2 2 285.366 3.290 20 0 CGADLP CO[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000638421764 378797050 /nfs/dbraw/zinc/79/70/50/378797050.db2.gz WSFFMZJQEAJVHL-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)OC ZINC000638442360 378804506 /nfs/dbraw/zinc/80/45/06/378804506.db2.gz SNEMSIKDAFXLSB-BBRMVZONSA-N 2 2 289.423 3.146 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000346807821 218020255 /nfs/dbraw/zinc/02/02/55/218020255.db2.gz MNIFUNYLRYIUEL-YWPYICTPSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000346807821 218020257 /nfs/dbraw/zinc/02/02/57/218020257.db2.gz MNIFUNYLRYIUEL-YWPYICTPSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804898 218020937 /nfs/dbraw/zinc/02/09/37/218020937.db2.gz YQGYLGRDNQFOJP-MPGHIAIKSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804898 218020939 /nfs/dbraw/zinc/02/09/39/218020939.db2.gz YQGYLGRDNQFOJP-MPGHIAIKSA-N 2 2 298.434 3.006 20 0 CGADLP COc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)[NH3+])cc1 ZINC000346823070 218024128 /nfs/dbraw/zinc/02/41/28/218024128.db2.gz BIYFFXBIWVIWHZ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP COc1ccc(C[N@@H+](Cc2ccccc2)CC(C)(C)[NH3+])cc1 ZINC000346823070 218024130 /nfs/dbraw/zinc/02/41/30/218024130.db2.gz BIYFFXBIWVIWHZ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP CO[C@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000638601124 378846684 /nfs/dbraw/zinc/84/66/84/378846684.db2.gz KFXLMVRRDDFESI-WMLDXEAASA-N 2 2 290.451 3.130 20 0 CGADLP CC[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000348242181 378858741 /nfs/dbraw/zinc/85/87/41/378858741.db2.gz KNAAKKPJPNHFLQ-HZPDHXFCSA-N 2 2 271.408 3.303 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348247280 378863022 /nfs/dbraw/zinc/86/30/22/378863022.db2.gz QSJSJGQPMHQXKX-SJORKVTESA-N 2 2 260.425 3.112 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348247280 378863027 /nfs/dbraw/zinc/86/30/27/378863027.db2.gz QSJSJGQPMHQXKX-SJORKVTESA-N 2 2 260.425 3.112 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348312627 378900642 /nfs/dbraw/zinc/90/06/42/378900642.db2.gz FTZBFJCMQJNNAO-GOSISDBHSA-N 2 2 286.419 3.451 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000348265551 378873973 /nfs/dbraw/zinc/87/39/73/378873973.db2.gz WPRLHOBTAKGQFX-IRXDYDNUSA-N 2 2 281.403 3.277 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638792672 378913491 /nfs/dbraw/zinc/91/34/91/378913491.db2.gz JJBQADPESLPCOO-UHFFFAOYSA-N 2 2 284.403 3.380 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000348333887 378914833 /nfs/dbraw/zinc/91/48/33/378914833.db2.gz CKFRAROMNQWWJZ-CABCVRRESA-N 2 2 298.377 3.463 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108410 218124753 /nfs/dbraw/zinc/12/47/53/218124753.db2.gz OJRAJXACWQTBNF-XHDPSFHLSA-N 2 2 276.355 3.274 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000347108410 218124756 /nfs/dbraw/zinc/12/47/56/218124756.db2.gz OJRAJXACWQTBNF-XHDPSFHLSA-N 2 2 276.355 3.274 20 0 CGADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000347066382 218112583 /nfs/dbraw/zinc/11/25/83/218112583.db2.gz MEYAXORUOBAIQX-SNVBAGLBSA-N 2 2 292.732 3.139 20 0 CGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000347066382 218112585 /nfs/dbraw/zinc/11/25/85/218112585.db2.gz MEYAXORUOBAIQX-SNVBAGLBSA-N 2 2 292.732 3.139 20 0 CGADLP CCC(=O)CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000276857615 379008608 /nfs/dbraw/zinc/00/86/08/379008608.db2.gz JXKPYQCFJTYYOE-OAHLLOKOSA-N 2 2 299.418 3.178 20 0 CGADLP CCC(=O)CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000276857615 379008611 /nfs/dbraw/zinc/00/86/11/379008611.db2.gz JXKPYQCFJTYYOE-OAHLLOKOSA-N 2 2 299.418 3.178 20 0 CGADLP C[N@H+](CCC[C@@H]1CCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000639071864 379003170 /nfs/dbraw/zinc/00/31/70/379003170.db2.gz PODYMZYHIKLGIL-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP C[N@@H+](CCC[C@@H]1CCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000639071864 379003172 /nfs/dbraw/zinc/00/31/72/379003172.db2.gz PODYMZYHIKLGIL-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCCC3CCOCC3)cc2)c[nH+]1 ZINC000347331517 218194007 /nfs/dbraw/zinc/19/40/07/218194007.db2.gz FMDFCOHCHJVOPL-UHFFFAOYSA-N 2 2 299.418 3.169 20 0 CGADLP COc1cccc(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000639125437 379051265 /nfs/dbraw/zinc/05/12/65/379051265.db2.gz VHXQBFCQWIWOMV-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370728532 379061832 /nfs/dbraw/zinc/06/18/32/379061832.db2.gz BIEIOMMDMZWQDQ-GFCCVEGCSA-N 2 2 281.359 3.111 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370728532 379061839 /nfs/dbraw/zinc/06/18/39/379061839.db2.gz BIEIOMMDMZWQDQ-GFCCVEGCSA-N 2 2 281.359 3.111 20 0 CGADLP Cc1ccnc([C@@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000348846354 379082934 /nfs/dbraw/zinc/08/29/34/379082934.db2.gz DBIVQVZSLVMWJI-CQSZACIVSA-N 2 2 293.374 3.203 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(F)c1 ZINC000639162410 379079621 /nfs/dbraw/zinc/07/96/21/379079621.db2.gz OKVVMZJDQWLQQK-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(F)c1 ZINC000639162410 379079623 /nfs/dbraw/zinc/07/96/23/379079623.db2.gz OKVVMZJDQWLQQK-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000639162410 379079626 /nfs/dbraw/zinc/07/96/26/379079626.db2.gz OKVVMZJDQWLQQK-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000639162410 379079628 /nfs/dbraw/zinc/07/96/28/379079628.db2.gz OKVVMZJDQWLQQK-XYPWUTKMSA-N 2 2 276.399 3.191 20 0 CGADLP c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)sn1 ZINC000639176537 379095321 /nfs/dbraw/zinc/09/53/21/379095321.db2.gz XZVKCDKEAWKMJZ-UHFFFAOYSA-N 2 2 290.436 3.032 20 0 CGADLP CC1(C)C([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000349126987 379163229 /nfs/dbraw/zinc/16/32/29/379163229.db2.gz HFRXHSYITOWQAY-UHFFFAOYSA-N 2 2 287.451 3.070 20 0 CGADLP CC1(C)C([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000349136133 379166044 /nfs/dbraw/zinc/16/60/44/379166044.db2.gz ZZWUMLKSNPMLOG-UHFFFAOYSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)o1 ZINC000278760177 194142971 /nfs/dbraw/zinc/14/29/71/194142971.db2.gz OLDKMRIHIIDKBY-CYBMUJFWSA-N 2 2 273.380 3.444 20 0 CGADLP CCCc1[nH+]ccn1Cc1[nH+]ccn1-c1ccccc1 ZINC000277468910 379167664 /nfs/dbraw/zinc/16/76/64/379167664.db2.gz JPOKEKTZJAUCJB-UHFFFAOYSA-N 2 2 266.348 3.070 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000639229096 379170630 /nfs/dbraw/zinc/17/06/30/379170630.db2.gz XQPKOGUWXJQZGO-CXAGYDPISA-N 2 2 291.439 3.116 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000349203198 379188707 /nfs/dbraw/zinc/18/87/07/379188707.db2.gz SLSCGNXSHUPATN-IIAWOOMASA-N 2 2 269.392 3.418 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000373202481 379239470 /nfs/dbraw/zinc/23/94/70/379239470.db2.gz LUBDMFOGBXGLLR-CQSZACIVSA-N 2 2 291.782 3.040 20 0 CGADLP C[C@@H]1C[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349351547 379241508 /nfs/dbraw/zinc/24/15/08/379241508.db2.gz QLJCFBWJRMFROG-ZBFHGGJFSA-N 2 2 261.413 3.031 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000373488751 379287963 /nfs/dbraw/zinc/28/79/63/379287963.db2.gz HYIDNSFVAMDSBZ-HZPDHXFCSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000373520431 379292482 /nfs/dbraw/zinc/29/24/82/379292482.db2.gz HVCSMXUOWHRCQB-NFOMZHRRSA-N 2 2 276.399 3.493 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000639374218 379327996 /nfs/dbraw/zinc/32/79/96/379327996.db2.gz DOQVSDVTDOVJGF-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000639374218 379328000 /nfs/dbraw/zinc/32/80/00/379328000.db2.gz DOQVSDVTDOVJGF-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000278296897 379339171 /nfs/dbraw/zinc/33/91/71/379339171.db2.gz CFPXXMFVELLFGB-NVXWUHKLSA-N 2 2 292.492 3.194 20 0 CGADLP C[NH+](C)C1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000347604588 218287657 /nfs/dbraw/zinc/28/76/57/218287657.db2.gz DMYRDIOEUBGWJC-ONEGZZNKSA-N 2 2 280.362 3.004 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc(C)cs1 ZINC000347607167 218287880 /nfs/dbraw/zinc/28/78/80/218287880.db2.gz ACTOUOBOWXVHBI-KBPBESRZSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc(C)cs1 ZINC000347607167 218287881 /nfs/dbraw/zinc/28/78/81/218287881.db2.gz ACTOUOBOWXVHBI-KBPBESRZSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000639389703 379355748 /nfs/dbraw/zinc/35/57/48/379355748.db2.gz NETDTXWHCQNWEE-QZTJIDSGSA-N 2 2 288.435 3.260 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000639514601 379446020 /nfs/dbraw/zinc/44/60/20/379446020.db2.gz FQGMIVSOBMAGHX-WBVHZDCISA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000639514601 379446023 /nfs/dbraw/zinc/44/60/23/379446023.db2.gz FQGMIVSOBMAGHX-WBVHZDCISA-N 2 2 274.408 3.008 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC000374346848 379427013 /nfs/dbraw/zinc/42/70/13/379427013.db2.gz AFPIVYWNTXBOEY-NSHDSACASA-N 2 2 284.388 3.024 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374538468 379456953 /nfs/dbraw/zinc/45/69/53/379456953.db2.gz QUSHZOBOFONUPX-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374538468 379456960 /nfs/dbraw/zinc/45/69/60/379456960.db2.gz QUSHZOBOFONUPX-QGZVFWFLSA-N 2 2 287.382 3.152 20 0 CGADLP COC[C@@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000639581881 379489293 /nfs/dbraw/zinc/48/92/93/379489293.db2.gz SXEHMYVXVLBGPD-GOSISDBHSA-N 2 2 284.403 3.484 20 0 CGADLP CCn1cc([C@@H](C)[NH2+]Cc2c(C)cc(C)[nH+]c2C)cn1 ZINC000639665546 379537216 /nfs/dbraw/zinc/53/72/16/379537216.db2.gz MRTSHOGUEIYSLZ-CYBMUJFWSA-N 2 2 272.396 3.074 20 0 CGADLP C[C@@H](c1cccnc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981541 379672477 /nfs/dbraw/zinc/67/24/77/379672477.db2.gz KTEZBJOCGKHYCN-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000267324241 190321135 /nfs/dbraw/zinc/32/11/35/190321135.db2.gz AQGLNIQJZLBPIJ-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000267324241 190321136 /nfs/dbraw/zinc/32/11/36/190321136.db2.gz AQGLNIQJZLBPIJ-UHFFFAOYSA-N 2 2 270.380 3.032 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)cc1F)CCC2 ZINC000377833351 379747842 /nfs/dbraw/zinc/74/78/42/379747842.db2.gz YQRKHTUVCUEJRL-CYBMUJFWSA-N 2 2 291.345 3.137 20 0 CGADLP Cc1cccc(C[C@]2(C)CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000640074701 379712408 /nfs/dbraw/zinc/71/24/08/379712408.db2.gz NIHXALSEVOSYKL-IBGZPJMESA-N 2 2 297.446 3.368 20 0 CGADLP Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000640074701 379712414 /nfs/dbraw/zinc/71/24/14/379712414.db2.gz NIHXALSEVOSYKL-IBGZPJMESA-N 2 2 297.446 3.368 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Cl)cc2)s1 ZINC000352250594 379758712 /nfs/dbraw/zinc/75/87/12/379758712.db2.gz JLGUNJCVTRWQRR-UHFFFAOYSA-N 2 2 295.839 3.148 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000352344945 379772547 /nfs/dbraw/zinc/77/25/47/379772547.db2.gz HUKRYTGLWPMZMS-AWEZNQCLSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000352344945 379772554 /nfs/dbraw/zinc/77/25/54/379772554.db2.gz HUKRYTGLWPMZMS-AWEZNQCLSA-N 2 2 285.391 3.106 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@@H+]1C1CC1 ZINC000280747108 379779264 /nfs/dbraw/zinc/77/92/64/379779264.db2.gz XNYUVFXOUSTWFO-KBUPBQIOSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C[N@H+]1C1CC1 ZINC000280747108 379779274 /nfs/dbraw/zinc/77/92/74/379779274.db2.gz XNYUVFXOUSTWFO-KBUPBQIOSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378487245 379829797 /nfs/dbraw/zinc/82/97/97/379829797.db2.gz ZCQNOMZTWGIDAV-GFCCVEGCSA-N 2 2 296.374 3.492 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378487245 379829804 /nfs/dbraw/zinc/82/98/04/379829804.db2.gz ZCQNOMZTWGIDAV-GFCCVEGCSA-N 2 2 296.374 3.492 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000378417891 379822670 /nfs/dbraw/zinc/82/26/70/379822670.db2.gz WPUBJRYGLUWVDV-OAHLLOKOSA-N 2 2 296.418 3.105 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000391202947 379909014 /nfs/dbraw/zinc/90/90/14/379909014.db2.gz SAKONVGTGKLHNT-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000391202947 379909018 /nfs/dbraw/zinc/90/90/18/379909018.db2.gz SAKONVGTGKLHNT-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cl/C=C/C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231045 379877812 /nfs/dbraw/zinc/87/78/12/379877812.db2.gz ZJHJIMQYNXJDJG-LVDDQXARSA-N 2 2 279.815 3.151 20 0 CGADLP Cl/C=C/C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231045 379877819 /nfs/dbraw/zinc/87/78/19/379877819.db2.gz ZJHJIMQYNXJDJG-LVDDQXARSA-N 2 2 279.815 3.151 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282320401 379897282 /nfs/dbraw/zinc/89/72/82/379897282.db2.gz UHUYMVCXBOKPDH-LBPRGKRZSA-N 2 2 250.386 3.031 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389792027 379902470 /nfs/dbraw/zinc/90/24/70/379902470.db2.gz QLDMABJLRSOIER-ZOBUZTSGSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389792027 379902474 /nfs/dbraw/zinc/90/24/74/379902474.db2.gz QLDMABJLRSOIER-ZOBUZTSGSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389792024 379902503 /nfs/dbraw/zinc/90/25/03/379902503.db2.gz QLDMABJLRSOIER-UXLLHSPISA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389792024 379902507 /nfs/dbraw/zinc/90/25/07/379902507.db2.gz QLDMABJLRSOIER-UXLLHSPISA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C[NH2+]1 ZINC000399123774 379934575 /nfs/dbraw/zinc/93/45/75/379934575.db2.gz IZXUSOZPVCIJTL-QKCSRTOESA-N 2 2 280.412 3.093 20 0 CGADLP Cc1scc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000399920800 379947041 /nfs/dbraw/zinc/94/70/41/379947041.db2.gz ZJLRBZDJTNCKGL-HZMBPMFUSA-N 2 2 264.438 3.080 20 0 CGADLP Cc1scc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000399920800 379947047 /nfs/dbraw/zinc/94/70/47/379947047.db2.gz ZJLRBZDJTNCKGL-HZMBPMFUSA-N 2 2 264.438 3.080 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302663 379986794 /nfs/dbraw/zinc/98/67/94/379986794.db2.gz RVOWMOLHQKZCRV-MJBXVCDLSA-N 2 2 277.387 3.062 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302663 379986797 /nfs/dbraw/zinc/98/67/97/379986797.db2.gz RVOWMOLHQKZCRV-MJBXVCDLSA-N 2 2 277.387 3.062 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)c21 ZINC000352900114 380027254 /nfs/dbraw/zinc/02/72/54/380027254.db2.gz LYHHBJPCFLNHGV-RDTXWAMCSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c21 ZINC000352900114 380027260 /nfs/dbraw/zinc/02/72/60/380027260.db2.gz LYHHBJPCFLNHGV-RDTXWAMCSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000347912038 218397152 /nfs/dbraw/zinc/39/71/52/218397152.db2.gz LUHPPYFDBILQGC-MSOLQXFVSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000347912038 218397153 /nfs/dbraw/zinc/39/71/53/218397153.db2.gz LUHPPYFDBILQGC-MSOLQXFVSA-N 2 2 288.435 3.071 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2csc(-c3cccs3)n2)C[C@@H]1[NH3+] ZINC000641801374 380110673 /nfs/dbraw/zinc/11/06/73/380110673.db2.gz BSWJZLRQYTZUJC-NWDGAFQWSA-N 2 2 293.461 3.087 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000284113985 380127612 /nfs/dbraw/zinc/12/76/12/380127612.db2.gz CFRHSHVSUYFKOM-INIZCTEOSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2[nH+]1 ZINC000643030339 380205298 /nfs/dbraw/zinc/20/52/98/380205298.db2.gz NXQUEIZUAZIQDR-NEPJUHHUSA-N 2 2 273.355 3.364 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000268295674 190393607 /nfs/dbraw/zinc/39/36/07/190393607.db2.gz FUOVWFYZRZCKFL-AWEZNQCLSA-N 2 2 271.364 3.232 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643069562 380210486 /nfs/dbraw/zinc/21/04/86/380210486.db2.gz VLPLBGRLJWDTTR-DOTOQJQBSA-N 2 2 290.476 3.079 20 0 CGADLP Cc1ccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643069562 380210487 /nfs/dbraw/zinc/21/04/87/380210487.db2.gz VLPLBGRLJWDTTR-DOTOQJQBSA-N 2 2 290.476 3.079 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353627110 380215557 /nfs/dbraw/zinc/21/55/57/380215557.db2.gz KALBOXKBSOJIAV-WWGRRREGSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353627110 380215560 /nfs/dbraw/zinc/21/55/60/380215560.db2.gz KALBOXKBSOJIAV-WWGRRREGSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000353926477 380239511 /nfs/dbraw/zinc/23/95/11/380239511.db2.gz GLLRXJKBLRIOMR-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000643506080 380326760 /nfs/dbraw/zinc/32/67/60/380326760.db2.gz JXHBBLIZLFGQQG-SNVBAGLBSA-N 2 2 272.314 3.108 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506795 380327816 /nfs/dbraw/zinc/32/78/16/380327816.db2.gz IQUCMNDPINVTNL-HNNXBMFYSA-N 2 2 294.826 3.204 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000643344757 380285234 /nfs/dbraw/zinc/28/52/34/380285234.db2.gz LBUPISAJINOOFV-RISCZKNCSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000643344757 380285238 /nfs/dbraw/zinc/28/52/38/380285238.db2.gz LBUPISAJINOOFV-RISCZKNCSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000354032707 380287717 /nfs/dbraw/zinc/28/77/17/380287717.db2.gz CZHCNBIKTIAXJO-KBRIMQKVSA-N 2 2 298.386 3.451 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000354032707 380287724 /nfs/dbraw/zinc/28/77/24/380287724.db2.gz CZHCNBIKTIAXJO-KBRIMQKVSA-N 2 2 298.386 3.451 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2[nH]1 ZINC000354034846 380290403 /nfs/dbraw/zinc/29/04/03/380290403.db2.gz UBCRMIWOUHBPPL-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2[nH]1 ZINC000354034846 380290409 /nfs/dbraw/zinc/29/04/09/380290409.db2.gz UBCRMIWOUHBPPL-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2F)c[nH+]1 ZINC000414515424 380290697 /nfs/dbraw/zinc/29/06/97/380290697.db2.gz UJPLYZSCQQWVAP-HUUCEWRRSA-N 2 2 250.361 3.193 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000414682818 380370542 /nfs/dbraw/zinc/37/05/42/380370542.db2.gz YZKYHUWORNDPOR-CVEARBPZSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000414682818 380370549 /nfs/dbraw/zinc/37/05/49/380370549.db2.gz YZKYHUWORNDPOR-CVEARBPZSA-N 2 2 264.388 3.336 20 0 CGADLP CC[C@@](C)([NH2+]C[C@H]([NH3+])CC(C)C)c1nc(C)cs1 ZINC000414711307 380384051 /nfs/dbraw/zinc/38/40/51/380384051.db2.gz QYKRCSRRYLUHGS-TZMCWYRMSA-N 2 2 269.458 3.040 20 0 CGADLP c1cn2c(cccc2C[NH2+]Cc2ccc3ccccc3n2)[nH+]1 ZINC000354284847 380385355 /nfs/dbraw/zinc/38/53/55/380385355.db2.gz YVHJCVNUBZEGJG-UHFFFAOYSA-N 2 2 288.354 3.172 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000414712506 380386198 /nfs/dbraw/zinc/38/61/98/380386198.db2.gz SMSIAZDVFCJECY-UHFFFAOYSA-N 2 2 266.816 3.307 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414771803 380396789 /nfs/dbraw/zinc/39/67/89/380396789.db2.gz RRGCBHMRXTYHPD-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414771803 380396792 /nfs/dbraw/zinc/39/67/92/380396792.db2.gz RRGCBHMRXTYHPD-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(F)cc1F ZINC000354290825 380388735 /nfs/dbraw/zinc/38/87/35/380388735.db2.gz YEAZLXJHZLKEBC-NSHDSACASA-N 2 2 287.313 3.463 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643525326 380340361 /nfs/dbraw/zinc/34/03/61/380340361.db2.gz WZPSPFXGFMHZHW-JQFCIGGWSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)c1 ZINC000643526521 380342391 /nfs/dbraw/zinc/34/23/91/380342391.db2.gz AFDZNHAXLFGIKB-CRAIPNDOSA-N 2 2 268.404 3.330 20 0 CGADLP Cc1cccc([C@@H]([NH2+]C[C@@H](C)[NH3+])c2cccc(F)c2)c1 ZINC000643527491 380342662 /nfs/dbraw/zinc/34/26/62/380342662.db2.gz NOISTLHGSAHFEW-CXAGYDPISA-N 2 2 272.367 3.160 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527073 380343301 /nfs/dbraw/zinc/34/33/01/380343301.db2.gz JTOAXVNKKQGNAK-NEPJUHHUSA-N 2 2 260.381 3.301 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)cc1 ZINC000643538279 380355884 /nfs/dbraw/zinc/35/58/84/380355884.db2.gz DQDXJURQAIHHEQ-GBESFXJTSA-N 2 2 298.405 3.374 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000414825969 380435508 /nfs/dbraw/zinc/43/55/08/380435508.db2.gz DKSVWNXFTOBVBE-UDTPNQRGSA-N 2 2 280.415 3.468 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414837259 380443954 /nfs/dbraw/zinc/44/39/54/380443954.db2.gz JIXBAVLXCSOABB-ZDUSSCGKSA-N 2 2 281.469 3.264 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414835797 380444089 /nfs/dbraw/zinc/44/40/89/380444089.db2.gz HWGIGUMTRRCIFK-CYBMUJFWSA-N 2 2 264.344 3.035 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414838366 380445996 /nfs/dbraw/zinc/44/59/96/380445996.db2.gz KMKPFEIRYRAALA-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414842762 380448448 /nfs/dbraw/zinc/44/84/48/380448448.db2.gz ZCXVYDGKCXRIPV-YJBOKZPZSA-N 2 2 268.404 3.216 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC(F)(F)C2)c[nH+]1 ZINC000354470857 380451523 /nfs/dbraw/zinc/45/15/23/380451523.db2.gz WDMKQSDQLOGYQT-AWEZNQCLSA-N 2 2 268.351 3.490 20 0 CGADLP CCCC[C@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354491117 380458581 /nfs/dbraw/zinc/45/85/81/380458581.db2.gz CVHFWANQEUMBOQ-MRXNPFEDSA-N 2 2 264.413 3.117 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000414778072 380401344 /nfs/dbraw/zinc/40/13/44/380401344.db2.gz YWHJVYPTEHZKOB-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000414778072 380401348 /nfs/dbraw/zinc/40/13/48/380401348.db2.gz YWHJVYPTEHZKOB-NHYWBVRUSA-N 2 2 290.407 3.476 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414779622 380401488 /nfs/dbraw/zinc/40/14/88/380401488.db2.gz AABMPVFIKCRIDB-KYOSRNDESA-N 2 2 298.352 3.103 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414779622 380401492 /nfs/dbraw/zinc/40/14/92/380401492.db2.gz AABMPVFIKCRIDB-KYOSRNDESA-N 2 2 298.352 3.103 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000414788630 380404831 /nfs/dbraw/zinc/40/48/31/380404831.db2.gz DRFCOVHOFYNVIH-HNNXBMFYSA-N 2 2 295.858 3.013 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1F)C1CC1 ZINC000414791323 380406831 /nfs/dbraw/zinc/40/68/31/380406831.db2.gz BFKIXJXWPSFXEB-SFHVURJKSA-N 2 2 284.378 3.320 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000414796752 380410976 /nfs/dbraw/zinc/41/09/76/380410976.db2.gz HZWHONRBDQMQKE-JYJNAYRXSA-N 2 2 296.405 3.360 20 0 CGADLP c1sc(-c2ccccc2)nc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904841 380484681 /nfs/dbraw/zinc/48/46/81/380484681.db2.gz MDBWGZMKADSLBQ-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414928279 380493842 /nfs/dbraw/zinc/49/38/42/380493842.db2.gz MSVLKRHKAGFFHY-CJNGLKHVSA-N 2 2 270.376 3.034 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCC(C4CC4)CC3)cc2)c[nH+]1 ZINC000644719388 380495756 /nfs/dbraw/zinc/49/57/56/380495756.db2.gz UPAWFTGMDHHLTA-UHFFFAOYSA-N 2 2 281.403 3.494 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CC[NH2+]1 ZINC000414945995 380502345 /nfs/dbraw/zinc/50/23/45/380502345.db2.gz JCQDBLRWYCYTOL-JSGCOSHPSA-N 2 2 287.432 3.040 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2csc(C3CC3)n2)CCCCCC1 ZINC000414858774 380459497 /nfs/dbraw/zinc/45/94/97/380459497.db2.gz LGWPLJVPHBINPI-UHFFFAOYSA-N 2 2 279.453 3.162 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889258 380476320 /nfs/dbraw/zinc/47/63/20/380476320.db2.gz LGEWDXVYTSLVNV-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000354547606 380482329 /nfs/dbraw/zinc/48/23/29/380482329.db2.gz TWMKOHGPKNNRIC-DLBZAZTESA-N 2 2 276.424 3.116 20 0 CGADLP Cc1cc(F)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414905526 380484255 /nfs/dbraw/zinc/48/42/55/380484255.db2.gz OFHZOERTCMTUNY-LLVKDONJSA-N 2 2 270.779 3.019 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)CC1 ZINC000355111168 380578582 /nfs/dbraw/zinc/57/85/82/380578582.db2.gz QWXOCOVAZSHEMI-BACDZXNISA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)CC1 ZINC000355111168 380578586 /nfs/dbraw/zinc/57/85/86/380578586.db2.gz QWXOCOVAZSHEMI-BACDZXNISA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C)CC1 ZINC000355111168 380578590 /nfs/dbraw/zinc/57/85/90/380578590.db2.gz QWXOCOVAZSHEMI-BACDZXNISA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)CC1 ZINC000355111168 380578594 /nfs/dbraw/zinc/57/85/94/380578594.db2.gz QWXOCOVAZSHEMI-BACDZXNISA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307605 380589153 /nfs/dbraw/zinc/58/91/53/380589153.db2.gz DRVYMCRUOUBRHK-SOUVJXGZSA-N 2 2 278.465 3.316 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000355127858 380589542 /nfs/dbraw/zinc/58/95/42/380589542.db2.gz WNQGRJVJTWASLW-DOTOQJQBSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314406 380591023 /nfs/dbraw/zinc/59/10/23/380591023.db2.gz RENZSGMPRLHURX-NZBPQXDJSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314406 380591030 /nfs/dbraw/zinc/59/10/30/380591030.db2.gz RENZSGMPRLHURX-NZBPQXDJSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000355154444 380600716 /nfs/dbraw/zinc/60/07/16/380600716.db2.gz KSMLZZPWSSUKHQ-ZFWWWQNUSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000355154444 380600723 /nfs/dbraw/zinc/60/07/23/380600723.db2.gz KSMLZZPWSSUKHQ-ZFWWWQNUSA-N 2 2 294.389 3.284 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2COC(C)(C)C2)[NH+](C)C)cc1 ZINC000417840650 380682008 /nfs/dbraw/zinc/68/20/08/380682008.db2.gz LJXOTBXGTWQXDH-DLBZAZTESA-N 2 2 290.451 3.009 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356794792 380876407 /nfs/dbraw/zinc/87/64/07/380876407.db2.gz OWVXUVXXAPYAPD-KBPBESRZSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356794792 380876418 /nfs/dbraw/zinc/87/64/18/380876418.db2.gz OWVXUVXXAPYAPD-KBPBESRZSA-N 2 2 290.455 3.252 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339014 380882713 /nfs/dbraw/zinc/88/27/13/380882713.db2.gz FHJMKUWLGHBEGJ-CJNGLKHVSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421339014 380882722 /nfs/dbraw/zinc/88/27/22/380882722.db2.gz FHJMKUWLGHBEGJ-CJNGLKHVSA-N 2 2 262.441 3.172 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000357431081 381155776 /nfs/dbraw/zinc/15/57/76/381155776.db2.gz AGLUOQKSVDCUBM-CXAGYDPISA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000357431081 381155782 /nfs/dbraw/zinc/15/57/82/381155782.db2.gz AGLUOQKSVDCUBM-CXAGYDPISA-N 2 2 290.476 3.122 20 0 CGADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000357711816 381262067 /nfs/dbraw/zinc/26/20/67/381262067.db2.gz PXUXNJNGXUOBSQ-OAHLLOKOSA-N 2 2 282.378 3.286 20 0 CGADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000357711816 381262072 /nfs/dbraw/zinc/26/20/72/381262072.db2.gz PXUXNJNGXUOBSQ-OAHLLOKOSA-N 2 2 282.378 3.286 20 0 CGADLP COC1(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCCC1 ZINC000359749111 381366803 /nfs/dbraw/zinc/36/68/03/381366803.db2.gz ULHTWYGMHRXWNS-KRWDZBQOSA-N 2 2 290.451 3.147 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC000360009705 381407900 /nfs/dbraw/zinc/40/79/00/381407900.db2.gz ATBYXCGSYRYNGW-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC000360009705 381407906 /nfs/dbraw/zinc/40/79/06/381407906.db2.gz ATBYXCGSYRYNGW-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000360009705 381407913 /nfs/dbraw/zinc/40/79/13/381407913.db2.gz ATBYXCGSYRYNGW-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000360009705 381407920 /nfs/dbraw/zinc/40/79/20/381407920.db2.gz ATBYXCGSYRYNGW-IJEWVQPXSA-N 2 2 250.430 3.124 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359960107 381389205 /nfs/dbraw/zinc/38/92/05/381389205.db2.gz WDBJHCWIMODTQA-UHFFFAOYSA-N 2 2 294.345 3.266 20 0 CGADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000334842892 207171803 /nfs/dbraw/zinc/17/18/03/207171803.db2.gz YYYGNVKXHVQWCS-CBAPKCEASA-N 2 2 279.236 3.143 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000334853634 207190379 /nfs/dbraw/zinc/19/03/79/207190379.db2.gz UIBFUSJMQOPTHG-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000334853634 207190383 /nfs/dbraw/zinc/19/03/83/207190383.db2.gz UIBFUSJMQOPTHG-DOMZBBRYSA-N 2 2 290.798 3.015 20 0 CGADLP CC1=C(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000361129538 381654670 /nfs/dbraw/zinc/65/46/70/381654670.db2.gz WDFBHDXRCRDWAM-UHFFFAOYSA-N 2 2 267.376 3.414 20 0 CGADLP CC1=C(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000361129538 381654675 /nfs/dbraw/zinc/65/46/75/381654675.db2.gz WDFBHDXRCRDWAM-UHFFFAOYSA-N 2 2 267.376 3.414 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000361359142 381717422 /nfs/dbraw/zinc/71/74/22/381717422.db2.gz VCWGQNJKONGFFL-UHFFFAOYSA-N 2 2 292.386 3.292 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000362523394 382036504 /nfs/dbraw/zinc/03/65/04/382036504.db2.gz DRPNRLZCXVJVSX-QMTHXVAHSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000362523394 382036508 /nfs/dbraw/zinc/03/65/08/382036508.db2.gz DRPNRLZCXVJVSX-QMTHXVAHSA-N 2 2 282.790 3.194 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232609419 542306168 /nfs/dbraw/zinc/30/61/68/542306168.db2.gz CIHIWBWLCQEIHQ-SFHVURJKSA-N 2 2 285.435 3.301 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000235205926 542311805 /nfs/dbraw/zinc/31/18/05/542311805.db2.gz ANVLHTMTQWUJKN-BXUZGUMPSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235524117 542312308 /nfs/dbraw/zinc/31/23/08/542312308.db2.gz NAQAOCLRWMLALC-FZMZJTMJSA-N 2 2 286.341 3.498 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000251695853 542347739 /nfs/dbraw/zinc/34/77/39/542347739.db2.gz IQZFNYFGQDPDNN-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000251695853 542347742 /nfs/dbraw/zinc/34/77/42/542347742.db2.gz IQZFNYFGQDPDNN-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252135131 542348497 /nfs/dbraw/zinc/34/84/97/542348497.db2.gz LKILQJAONVWRPQ-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252135131 542348498 /nfs/dbraw/zinc/34/84/98/542348498.db2.gz LKILQJAONVWRPQ-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000250879160 542344823 /nfs/dbraw/zinc/34/48/23/542344823.db2.gz QJJIRTXYLFQARD-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000250879160 542344825 /nfs/dbraw/zinc/34/48/25/542344825.db2.gz QJJIRTXYLFQARD-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000252979109 542351852 /nfs/dbraw/zinc/35/18/52/542351852.db2.gz GGHJPCGQNYAXIS-ZWNOBZJWSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000252979109 542351855 /nfs/dbraw/zinc/35/18/55/542351855.db2.gz GGHJPCGQNYAXIS-ZWNOBZJWSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306577 208156401 /nfs/dbraw/zinc/15/64/01/208156401.db2.gz HMNFJZJRGIIOID-LKFCYVNXSA-N 2 2 288.769 3.048 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000335306577 208156406 /nfs/dbraw/zinc/15/64/06/208156406.db2.gz HMNFJZJRGIIOID-LKFCYVNXSA-N 2 2 288.769 3.048 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4occc4c3)CC2)c[nH+]1 ZINC000289422607 197340130 /nfs/dbraw/zinc/34/01/30/197340130.db2.gz UVPZWROTNICHQG-UHFFFAOYSA-N 2 2 281.359 3.466 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000289399492 197328415 /nfs/dbraw/zinc/32/84/15/197328415.db2.gz NTOAXMRUZOLHIR-OAHLLOKOSA-N 2 2 272.392 3.342 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747386 220303001 /nfs/dbraw/zinc/30/30/01/220303001.db2.gz MCQMRTYDOFPVMJ-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747386 220303003 /nfs/dbraw/zinc/30/30/03/220303003.db2.gz MCQMRTYDOFPVMJ-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747386 220303008 /nfs/dbraw/zinc/30/30/08/220303008.db2.gz MCQMRTYDOFPVMJ-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2F)C[C@H]1C ZINC000353747386 220303011 /nfs/dbraw/zinc/30/30/11/220303011.db2.gz MCQMRTYDOFPVMJ-DOMZBBRYSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1[nH]cc[nH+]1 ZINC000286219917 542391588 /nfs/dbraw/zinc/39/15/88/542391588.db2.gz SIJGGEMEXICXLT-UONOGXRCSA-N 2 2 286.423 3.190 20 0 CGADLP Cc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289296566 197288388 /nfs/dbraw/zinc/28/83/88/197288388.db2.gz QIIRCHOBQXYFDA-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000287294840 542395915 /nfs/dbraw/zinc/39/59/15/542395915.db2.gz DIIRIBPPNBGLEP-SMDDNHRTSA-N 2 2 292.814 3.017 20 0 CGADLP COc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289180061 197254621 /nfs/dbraw/zinc/25/46/21/197254621.db2.gz SPQRFUROUSFUHD-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP COc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289180061 197254622 /nfs/dbraw/zinc/25/46/22/197254622.db2.gz SPQRFUROUSFUHD-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP Clc1ccc(CC[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000308457103 542422740 /nfs/dbraw/zinc/42/27/40/542422740.db2.gz MOZQXOYDGQDUGM-UHFFFAOYSA-N 2 2 277.799 3.149 20 0 CGADLP Cc1[nH+]cccc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000311791604 542430378 /nfs/dbraw/zinc/43/03/78/542430378.db2.gz ZYRHFIYQZOUUDH-NEPJUHHUSA-N 2 2 255.365 3.006 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000491424685 285262059 /nfs/dbraw/zinc/26/20/59/285262059.db2.gz WLSNOYVKKSRCQK-KYJSFNMBSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000491424685 285262060 /nfs/dbraw/zinc/26/20/60/285262060.db2.gz WLSNOYVKKSRCQK-KYJSFNMBSA-N 2 2 272.436 3.302 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000348070538 542513512 /nfs/dbraw/zinc/51/35/12/542513512.db2.gz IENLPYIETKZPME-ZWKOTPCHSA-N 2 2 281.403 3.210 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354189773 542562043 /nfs/dbraw/zinc/56/20/43/542562043.db2.gz MWOPJRKXOPYXAI-HIFPTAJRSA-N 2 2 280.378 3.285 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354189773 542562046 /nfs/dbraw/zinc/56/20/46/542562046.db2.gz MWOPJRKXOPYXAI-HIFPTAJRSA-N 2 2 280.378 3.285 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000417928150 533322157 /nfs/dbraw/zinc/32/21/57/533322157.db2.gz GZSXCGQJJFYKQL-GDBMZVCRSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[C@H]1C ZINC000414077124 533443420 /nfs/dbraw/zinc/44/34/20/533443420.db2.gz QVNZSBYHLHBQQN-YRGRVCCFSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414076675 533455228 /nfs/dbraw/zinc/45/52/28/533455228.db2.gz YNAXKCNTWWGTSX-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1C[C@H]1C ZINC000414062218 533406738 /nfs/dbraw/zinc/40/67/38/533406738.db2.gz LAZDATBIKPCVOS-INMHGKMJSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423320158 533412340 /nfs/dbraw/zinc/41/23/40/533412340.db2.gz MBSVJBIAQWXQMC-BXUZGUMPSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000177253424 533418590 /nfs/dbraw/zinc/41/85/90/533418590.db2.gz ZPPXXKSAYIRDFR-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000177253424 533418594 /nfs/dbraw/zinc/41/85/94/533418594.db2.gz ZPPXXKSAYIRDFR-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423339152 533431744 /nfs/dbraw/zinc/43/17/44/533431744.db2.gz ZGRBJCFAXHSJAF-RISCZKNCSA-N 2 2 287.432 3.198 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)ccn1 ZINC000338001476 285434480 /nfs/dbraw/zinc/43/44/80/285434480.db2.gz XUEUIUJGLNXONI-RTBURBONSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102206 533671301 /nfs/dbraw/zinc/67/13/01/533671301.db2.gz NCEQFIAHSIRYLK-SWLSCSKDSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102206 533671310 /nfs/dbraw/zinc/67/13/10/533671310.db2.gz NCEQFIAHSIRYLK-SWLSCSKDSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000386255608 542602865 /nfs/dbraw/zinc/60/28/65/542602865.db2.gz UCZRKGTUROHDOX-DZGCQCFKSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000386255608 542602872 /nfs/dbraw/zinc/60/28/72/542602872.db2.gz UCZRKGTUROHDOX-DZGCQCFKSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389251928 542607162 /nfs/dbraw/zinc/60/71/62/542607162.db2.gz MVOOWJKJRLCQGH-WIHSUSGWSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389251928 542607164 /nfs/dbraw/zinc/60/71/64/542607164.db2.gz MVOOWJKJRLCQGH-WIHSUSGWSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C)CC[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000041118887 391985238 /nfs/dbraw/zinc/98/52/38/391985238.db2.gz UUICXHBIEARPTH-INIZCTEOSA-N 2 2 269.392 3.285 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053375447 392084352 /nfs/dbraw/zinc/08/43/52/392084352.db2.gz UARSIZJIGVKFMS-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053375447 392084356 /nfs/dbraw/zinc/08/43/56/392084356.db2.gz UARSIZJIGVKFMS-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCCC2)c1 ZINC000049575034 392054508 /nfs/dbraw/zinc/05/45/08/392054508.db2.gz PZCRGSNYTVHSMK-QGZVFWFLSA-N 2 2 274.452 3.392 20 0 CGADLP Fc1ccccc1C1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000361239108 392261088 /nfs/dbraw/zinc/26/10/88/392261088.db2.gz SPJBCWBGCWAINL-UHFFFAOYSA-N 2 2 281.334 3.073 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2)Cn1cc[nH+]c1 ZINC000105424535 392288920 /nfs/dbraw/zinc/28/89/20/392288920.db2.gz MCEVPLYALFRUFE-CQSZACIVSA-N 2 2 299.418 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(C)(C)C1 ZINC000361824351 392333939 /nfs/dbraw/zinc/33/39/39/392333939.db2.gz CHJGFLZHBCSQHP-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(C)(C)C1 ZINC000361824351 392333945 /nfs/dbraw/zinc/33/39/45/392333945.db2.gz CHJGFLZHBCSQHP-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246347188 131093153 /nfs/dbraw/zinc/09/31/53/131093153.db2.gz ITVFLCGVIWWRIF-RYUDHWBXSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246347188 131093155 /nfs/dbraw/zinc/09/31/55/131093155.db2.gz ITVFLCGVIWWRIF-RYUDHWBXSA-N 2 2 284.806 3.424 20 0 CGADLP Clc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796300 392374359 /nfs/dbraw/zinc/37/43/59/392374359.db2.gz ZCVCGZRERVIKSR-UHFFFAOYSA-N 2 2 275.783 3.374 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1 ZINC000361981310 392380848 /nfs/dbraw/zinc/38/08/48/392380848.db2.gz NZVJSKMESQGBLL-KKXDTOCCSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(OC)c1 ZINC000361981310 392380851 /nfs/dbraw/zinc/38/08/51/392380851.db2.gz NZVJSKMESQGBLL-KKXDTOCCSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1ccc([C@H](CNc2cccc[nH+]2)[NH+]2CCCC2)o1 ZINC000263691390 131310104 /nfs/dbraw/zinc/31/01/04/131310104.db2.gz JWUQATFGZFGVQX-AWEZNQCLSA-N 2 2 271.364 3.232 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287327042 392395565 /nfs/dbraw/zinc/39/55/65/392395565.db2.gz MCHCUWUDGTWWED-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287327042 392395568 /nfs/dbraw/zinc/39/55/68/392395568.db2.gz MCHCUWUDGTWWED-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCCC12CCOCC2)[NH+]1CCCCC1 ZINC000367064073 392465837 /nfs/dbraw/zinc/46/58/37/392465837.db2.gz BFHHXBRVAVOXMY-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000122315037 392420538 /nfs/dbraw/zinc/42/05/38/392420538.db2.gz QOHKWFJRWRUBIZ-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000122315037 392420542 /nfs/dbraw/zinc/42/05/42/392420542.db2.gz QOHKWFJRWRUBIZ-QGZVFWFLSA-N 2 2 260.425 3.036 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](C)C2)n1-c1ccccc1 ZINC000135286242 392474067 /nfs/dbraw/zinc/47/40/67/392474067.db2.gz DLHMSLMWKBTKMP-HIFRSBDPSA-N 2 2 269.392 3.459 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)[nH+]1 ZINC000291639543 392474676 /nfs/dbraw/zinc/47/46/76/392474676.db2.gz SZBWZGCSHBIFPU-INIZCTEOSA-N 2 2 267.376 3.099 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100309 392486348 /nfs/dbraw/zinc/48/63/48/392486348.db2.gz HPZJJEPZNKYMNH-GXTWGEPZSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100309 392486353 /nfs/dbraw/zinc/48/63/53/392486353.db2.gz HPZJJEPZNKYMNH-GXTWGEPZSA-N 2 2 287.794 3.198 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)cccc1F)CCC2 ZINC000368692365 392494235 /nfs/dbraw/zinc/49/42/35/392494235.db2.gz CFEYODSZMIHLJV-LBPRGKRZSA-N 2 2 291.345 3.137 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC000647333214 392679915 /nfs/dbraw/zinc/67/99/15/392679915.db2.gz OAKCKQIRSXJLSO-UHFFFAOYSA-N 2 2 276.399 3.279 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000647316044 392660390 /nfs/dbraw/zinc/66/03/90/392660390.db2.gz MMAFNEFRIMOPFM-WMLDXEAASA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000647316044 392660391 /nfs/dbraw/zinc/66/03/91/392660391.db2.gz MMAFNEFRIMOPFM-WMLDXEAASA-N 2 2 270.420 3.056 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553785 392767704 /nfs/dbraw/zinc/76/77/04/392767704.db2.gz JLRVHGZGVAIHNX-AWEZNQCLSA-N 2 2 298.352 3.470 20 0 CGADLP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851821 392749326 /nfs/dbraw/zinc/74/93/26/392749326.db2.gz XNTYZHICEHIYHH-DZKIICNBSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851821 392749329 /nfs/dbraw/zinc/74/93/29/392749329.db2.gz XNTYZHICEHIYHH-DZKIICNBSA-N 2 2 275.440 3.202 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000484288543 542707922 /nfs/dbraw/zinc/70/79/22/542707922.db2.gz AWVPYVCGLRKTRS-DAXOMENPSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000484288543 542707925 /nfs/dbraw/zinc/70/79/25/542707925.db2.gz AWVPYVCGLRKTRS-DAXOMENPSA-N 2 2 278.415 3.453 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CCC3CC3)cn21 ZINC000647363576 392708824 /nfs/dbraw/zinc/70/88/24/392708824.db2.gz DHKHDWYXIRVOCW-CYBMUJFWSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@](C)([NH2+]CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647892216 392828973 /nfs/dbraw/zinc/82/89/73/392828973.db2.gz DKYDINXZVUDYDP-GFCCVEGCSA-N 2 2 266.351 3.087 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337995749 392895734 /nfs/dbraw/zinc/89/57/34/392895734.db2.gz PIALKFPSGVOMDU-HZPDHXFCSA-N 2 2 250.430 3.031 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029168 392896750 /nfs/dbraw/zinc/89/67/50/392896750.db2.gz FYDLHPWZAFTBTO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029168 392896752 /nfs/dbraw/zinc/89/67/52/392896752.db2.gz FYDLHPWZAFTBTO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029168 392896758 /nfs/dbraw/zinc/89/67/58/392896758.db2.gz FYDLHPWZAFTBTO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000194029168 392896762 /nfs/dbraw/zinc/89/67/62/392896762.db2.gz FYDLHPWZAFTBTO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000515071159 392860249 /nfs/dbraw/zinc/86/02/49/392860249.db2.gz CGIXBOMQLVEBPP-UHFFFAOYSA-N 2 2 298.352 3.409 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000515071159 392860255 /nfs/dbraw/zinc/86/02/55/392860255.db2.gz CGIXBOMQLVEBPP-UHFFFAOYSA-N 2 2 298.352 3.409 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382079367 392916650 /nfs/dbraw/zinc/91/66/50/392916650.db2.gz HWTVDUCKCMBAHA-MHOIOUGOSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382079367 392916656 /nfs/dbraw/zinc/91/66/56/392916656.db2.gz HWTVDUCKCMBAHA-MHOIOUGOSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000376536566 392878880 /nfs/dbraw/zinc/87/88/80/392878880.db2.gz WZLGYTZFDUVVFO-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000376536566 392878883 /nfs/dbraw/zinc/87/88/83/392878883.db2.gz WZLGYTZFDUVVFO-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC2(CCC2)C1 ZINC000459350515 392942130 /nfs/dbraw/zinc/94/21/30/392942130.db2.gz FSAWIXCBJSXYGJ-UHFFFAOYSA-N 2 2 299.462 3.491 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000546077854 393030398 /nfs/dbraw/zinc/03/03/98/393030398.db2.gz SIBWFMDNIXZMQJ-WFASDCNBSA-N 2 2 285.391 3.154 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCc3ccccc3C2)c[nH+]1 ZINC000648431622 393014570 /nfs/dbraw/zinc/01/45/70/393014570.db2.gz MLBHFRNGZWSSQH-GOSISDBHSA-N 2 2 283.419 3.201 20 0 CGADLP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000648450036 393024246 /nfs/dbraw/zinc/02/42/46/393024246.db2.gz MSEISVLUJGROMY-RBUKOAKNSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000648450036 393024254 /nfs/dbraw/zinc/02/42/54/393024254.db2.gz MSEISVLUJGROMY-RBUKOAKNSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000466383838 393025803 /nfs/dbraw/zinc/02/58/03/393025803.db2.gz PDYZPSGZQDUNJY-QAETUUGQSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000466383838 393025808 /nfs/dbraw/zinc/02/58/08/393025808.db2.gz PDYZPSGZQDUNJY-QAETUUGQSA-N 2 2 284.447 3.456 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000415039963 393109135 /nfs/dbraw/zinc/10/91/35/393109135.db2.gz NSIRJSHBDRCKRM-MRXNPFEDSA-N 2 2 254.377 3.070 20 0 CGADLP Cc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1Cl ZINC000547272424 393101579 /nfs/dbraw/zinc/10/15/79/393101579.db2.gz AQWUQGIHSYBXGB-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP Cc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1Cl ZINC000547272424 393101586 /nfs/dbraw/zinc/10/15/86/393101586.db2.gz AQWUQGIHSYBXGB-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C3(C)C)ccc2c1 ZINC000415030936 393104885 /nfs/dbraw/zinc/10/48/85/393104885.db2.gz DEPRCTNGADPJLJ-KRWDZBQOSA-N 2 2 284.403 3.079 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCc1cn(C)c[nH+]1)CCCO2 ZINC000414121812 393038759 /nfs/dbraw/zinc/03/87/59/393038759.db2.gz HVHFZXBOGYBTNB-KRWDZBQOSA-N 2 2 299.418 3.083 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1)[C@H]1C[C@H]1C ZINC000414159939 393040547 /nfs/dbraw/zinc/04/05/47/393040547.db2.gz YWVPFSSCHKBCQP-XFKAJCMBSA-N 2 2 290.451 3.322 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000414678350 393052695 /nfs/dbraw/zinc/05/26/95/393052695.db2.gz QIFWTLIABWJUMQ-HZPDHXFCSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000414678350 393052701 /nfs/dbraw/zinc/05/27/01/393052701.db2.gz QIFWTLIABWJUMQ-HZPDHXFCSA-N 2 2 278.465 3.150 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)oc2cc1C ZINC000414953770 393060140 /nfs/dbraw/zinc/06/01/40/393060140.db2.gz MBQKXKLSXVKWME-BBRMVZONSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414963001 393068711 /nfs/dbraw/zinc/06/87/11/393068711.db2.gz XBOHPHMDSYZUES-TVQRCGJNSA-N 2 2 273.207 3.224 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000414982259 393079229 /nfs/dbraw/zinc/07/92/29/393079229.db2.gz CNOJBPNHPVIFJG-KRWDZBQOSA-N 2 2 298.430 3.498 20 0 CGADLP Clc1cc2cccnc2c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415065375 393123694 /nfs/dbraw/zinc/12/36/94/393123694.db2.gz FYYJOHWUVMUVOF-OAHLLOKOSA-N 2 2 289.810 3.120 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000252754489 393126900 /nfs/dbraw/zinc/12/69/00/393126900.db2.gz ZDUOPKRPZOOHQZ-SIIHOXLZSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C[N@H+]1C1CC1 ZINC000252754489 393126905 /nfs/dbraw/zinc/12/69/05/393126905.db2.gz ZDUOPKRPZOOHQZ-SIIHOXLZSA-N 2 2 270.420 3.279 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087384 393138156 /nfs/dbraw/zinc/13/81/56/393138156.db2.gz SZKVCNBXPLZJQK-DOMZBBRYSA-N 2 2 268.351 3.148 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415088858 393140647 /nfs/dbraw/zinc/14/06/47/393140647.db2.gz YBPGCYKFKLYUGU-OCCSQVGLSA-N 2 2 264.438 3.201 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353498611 393223529 /nfs/dbraw/zinc/22/35/29/393223529.db2.gz AMNZIBBSQGRODC-OFQRWUPVSA-N 2 2 268.420 3.121 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353498611 393223534 /nfs/dbraw/zinc/22/35/34/393223534.db2.gz AMNZIBBSQGRODC-OFQRWUPVSA-N 2 2 268.420 3.121 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCO2 ZINC000353624380 393227142 /nfs/dbraw/zinc/22/71/42/393227142.db2.gz PWCBBHMBHQVAPL-UKRRQHHQSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCO2 ZINC000353624380 393227148 /nfs/dbraw/zinc/22/71/48/393227148.db2.gz PWCBBHMBHQVAPL-UKRRQHHQSA-N 2 2 297.402 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354017051 393237432 /nfs/dbraw/zinc/23/74/32/393237432.db2.gz GMKNKNICQYAROQ-DVOMOZLQSA-N 2 2 287.432 3.274 20 0 CGADLP CCCC[N@H+](C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000267252845 393187755 /nfs/dbraw/zinc/18/77/55/393187755.db2.gz UUHMICNZTZDFPV-UHFFFAOYSA-N 2 2 261.413 3.030 20 0 CGADLP CCCC[N@@H+](C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000267252845 393187758 /nfs/dbraw/zinc/18/77/58/393187758.db2.gz UUHMICNZTZDFPV-UHFFFAOYSA-N 2 2 261.413 3.030 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000268746207 393203004 /nfs/dbraw/zinc/20/30/04/393203004.db2.gz SAKBFMBGVNJKNV-GDLVEWKHSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000268746207 393203007 /nfs/dbraw/zinc/20/30/07/393203007.db2.gz SAKBFMBGVNJKNV-GDLVEWKHSA-N 2 2 280.362 3.098 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000352836831 393211887 /nfs/dbraw/zinc/21/18/87/393211887.db2.gz AOBPJWVCSKXDGR-OFLPRAFFSA-N 2 2 264.457 3.373 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000352836831 393211894 /nfs/dbraw/zinc/21/18/94/393211894.db2.gz AOBPJWVCSKXDGR-OFLPRAFFSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138517 393214353 /nfs/dbraw/zinc/21/43/53/393214353.db2.gz MXPXWVYHFJTAGR-JHNDHUHGSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1 ZINC000353138517 393214359 /nfs/dbraw/zinc/21/43/59/393214359.db2.gz MXPXWVYHFJTAGR-JHNDHUHGSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355481608 393329632 /nfs/dbraw/zinc/32/96/32/393329632.db2.gz DPKYPVOHKNVNBX-OCBCSQNSSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000355481608 393329637 /nfs/dbraw/zinc/32/96/37/393329637.db2.gz DPKYPVOHKNVNBX-OCBCSQNSSA-N 2 2 288.410 3.275 20 0 CGADLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000648817027 393263264 /nfs/dbraw/zinc/26/32/64/393263264.db2.gz ZQBGJCJZJLOCNV-YPMHNXCESA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000648817027 393263269 /nfs/dbraw/zinc/26/32/69/393263269.db2.gz ZQBGJCJZJLOCNV-YPMHNXCESA-N 2 2 294.826 3.063 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCC(C)(C)C1 ZINC000355579579 393331026 /nfs/dbraw/zinc/33/10/26/393331026.db2.gz HMANORSGKIJBTO-ZDUSSCGKSA-N 2 2 257.381 3.345 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCC(C)(C)C1 ZINC000355579579 393331032 /nfs/dbraw/zinc/33/10/32/393331032.db2.gz HMANORSGKIJBTO-ZDUSSCGKSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647171813 393366936 /nfs/dbraw/zinc/36/69/36/393366936.db2.gz XKCNOBUVSYYGBC-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647171813 393366939 /nfs/dbraw/zinc/36/69/39/393366939.db2.gz XKCNOBUVSYYGBC-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000649417391 393417286 /nfs/dbraw/zinc/41/72/86/393417286.db2.gz IILSXTDIEQAANT-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000649417391 393417290 /nfs/dbraw/zinc/41/72/90/393417290.db2.gz IILSXTDIEQAANT-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385842 393480704 /nfs/dbraw/zinc/48/07/04/393480704.db2.gz FJOLEQKGIOLLCH-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420385842 393480706 /nfs/dbraw/zinc/48/07/06/393480706.db2.gz FJOLEQKGIOLLCH-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000487072161 393448922 /nfs/dbraw/zinc/44/89/22/393448922.db2.gz WMGUEAVMMUGIHQ-CQSZACIVSA-N 2 2 275.421 3.073 20 0 CGADLP CC(C)[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000487072161 393448927 /nfs/dbraw/zinc/44/89/27/393448927.db2.gz WMGUEAVMMUGIHQ-CQSZACIVSA-N 2 2 275.421 3.073 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2COc3c(C)cccc3C2)c[nH+]1 ZINC000356507827 393465740 /nfs/dbraw/zinc/46/57/40/393465740.db2.gz RJIOKJUYHCFSFD-GOSISDBHSA-N 2 2 296.414 3.224 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420338977 393470026 /nfs/dbraw/zinc/47/00/26/393470026.db2.gz LDZVJBLHPOUIMD-AZUAARDMSA-N 2 2 294.442 3.456 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420338977 393470033 /nfs/dbraw/zinc/47/00/33/393470033.db2.gz LDZVJBLHPOUIMD-AZUAARDMSA-N 2 2 294.442 3.456 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1C ZINC000420365984 393476787 /nfs/dbraw/zinc/47/67/87/393476787.db2.gz QPONOYQGTHRTCK-INIZCTEOSA-N 2 2 290.451 3.277 20 0 CGADLP CCCc1nc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000420376070 393478459 /nfs/dbraw/zinc/47/84/59/393478459.db2.gz UQEINEUWQBPARI-CQSZACIVSA-N 2 2 281.469 3.093 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000420422879 393486561 /nfs/dbraw/zinc/48/65/61/393486561.db2.gz ZWIGPHCUDLOYJU-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)C1CC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000488321117 393486680 /nfs/dbraw/zinc/48/66/80/393486680.db2.gz FENCFSQTBMABAF-UHFFFAOYSA-N 2 2 269.392 3.397 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065870 393516427 /nfs/dbraw/zinc/51/64/27/393516427.db2.gz JVFIPCMGTLCIEJ-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065870 393516432 /nfs/dbraw/zinc/51/64/32/393516432.db2.gz JVFIPCMGTLCIEJ-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065870 393516436 /nfs/dbraw/zinc/51/64/36/393516436.db2.gz JVFIPCMGTLCIEJ-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065870 393516438 /nfs/dbraw/zinc/51/64/38/393516438.db2.gz JVFIPCMGTLCIEJ-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000430094681 393521141 /nfs/dbraw/zinc/52/11/41/393521141.db2.gz AOLAIHJVGDSOPU-OAHLLOKOSA-N 2 2 293.480 3.215 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000430094681 393521146 /nfs/dbraw/zinc/52/11/46/393521146.db2.gz AOLAIHJVGDSOPU-OAHLLOKOSA-N 2 2 293.480 3.215 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358371798 393523883 /nfs/dbraw/zinc/52/38/83/393523883.db2.gz AJAMPJDQTCHLGU-CQDKDKBSSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358371798 393523886 /nfs/dbraw/zinc/52/38/86/393523886.db2.gz AJAMPJDQTCHLGU-CQDKDKBSSA-N 2 2 266.816 3.331 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000359084782 393536135 /nfs/dbraw/zinc/53/61/35/393536135.db2.gz IAYOWNUVWRXNGL-DZKIICNBSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000359084782 393536137 /nfs/dbraw/zinc/53/61/37/393536137.db2.gz IAYOWNUVWRXNGL-DZKIICNBSA-N 2 2 250.430 3.051 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000666654539 542805776 /nfs/dbraw/zinc/80/57/76/542805776.db2.gz OJDYBNGMEMZZAB-UTUOFQBUSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000666654539 542805778 /nfs/dbraw/zinc/80/57/78/542805778.db2.gz OJDYBNGMEMZZAB-UTUOFQBUSA-N 2 2 266.351 3.023 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768530 542814206 /nfs/dbraw/zinc/81/42/06/542814206.db2.gz IUBYSRDMJVNCED-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CCSCc1ccccc1 ZINC000430737747 393592388 /nfs/dbraw/zinc/59/23/88/393592388.db2.gz CDPALTTVSPSPBX-MRXNPFEDSA-N 2 2 292.492 3.384 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CCSCc1ccccc1 ZINC000430737747 393592393 /nfs/dbraw/zinc/59/23/93/393592393.db2.gz CDPALTTVSPSPBX-MRXNPFEDSA-N 2 2 292.492 3.384 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccsc1 ZINC000421018864 393579416 /nfs/dbraw/zinc/57/94/16/393579416.db2.gz XITYXRGZKFVTJG-CYBMUJFWSA-N 2 2 277.437 3.496 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccsc1 ZINC000421018864 393579420 /nfs/dbraw/zinc/57/94/20/393579420.db2.gz XITYXRGZKFVTJG-CYBMUJFWSA-N 2 2 277.437 3.496 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]CCSCc2ccccc2)C1 ZINC000430738118 393591461 /nfs/dbraw/zinc/59/14/61/393591461.db2.gz DDVWJQJUYQPCLU-MRXNPFEDSA-N 2 2 292.492 3.241 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCSCc2ccccc2)C1 ZINC000430738118 393591463 /nfs/dbraw/zinc/59/14/63/393591463.db2.gz DDVWJQJUYQPCLU-MRXNPFEDSA-N 2 2 292.492 3.241 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360984839 393628612 /nfs/dbraw/zinc/62/86/12/393628612.db2.gz FMQZXWOARBIIQH-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360984839 393628616 /nfs/dbraw/zinc/62/86/16/393628616.db2.gz FMQZXWOARBIIQH-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422939391 393645592 /nfs/dbraw/zinc/64/55/92/393645592.db2.gz RIDXNSJXANPZKU-SMDDNHRTSA-N 2 2 264.800 3.059 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423240413 393655842 /nfs/dbraw/zinc/65/58/42/393655842.db2.gz TXFYKVPEFJBVKJ-CZUORRHYSA-N 2 2 258.409 3.141 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423303442 393660463 /nfs/dbraw/zinc/66/04/63/393660463.db2.gz XCNMTLGVGNWYTM-DZGCQCFKSA-N 2 2 267.392 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000491016362 393662342 /nfs/dbraw/zinc/66/23/42/393662342.db2.gz BZYRDTGDXHYXGO-MQIPJXDCSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000491016362 393662345 /nfs/dbraw/zinc/66/23/45/393662345.db2.gz BZYRDTGDXHYXGO-MQIPJXDCSA-N 2 2 278.827 3.473 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc(C)c1F ZINC000423353452 393662553 /nfs/dbraw/zinc/66/25/53/393662553.db2.gz BSRYKEOYMHWZEP-VZJVUDMVSA-N 2 2 264.388 3.091 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(OC)cc1 ZINC000423370605 393664112 /nfs/dbraw/zinc/66/41/12/393664112.db2.gz ULUCLSHZEMNXML-JQFCIGGWSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@@H+]1C1CC1 ZINC000491388504 393684645 /nfs/dbraw/zinc/68/46/45/393684645.db2.gz KKFULWYGLPCCKI-KBXCAEBGSA-N 2 2 284.447 3.280 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@H+]1C1CC1 ZINC000491388504 393684650 /nfs/dbraw/zinc/68/46/50/393684650.db2.gz KKFULWYGLPCCKI-KBXCAEBGSA-N 2 2 284.447 3.280 20 0 CGADLP COC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000443204354 393749039 /nfs/dbraw/zinc/74/90/39/393749039.db2.gz PCLZJPUHOAJAFJ-NJAFHUGGSA-N 2 2 292.467 3.247 20 0 CGADLP CC[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1[nH+]ccn1C ZINC000361187959 393698032 /nfs/dbraw/zinc/69/80/32/393698032.db2.gz JYIKDRLYTRNUHV-CQSZACIVSA-N 2 2 270.380 3.257 20 0 CGADLP Clc1cccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000433300270 393709172 /nfs/dbraw/zinc/70/91/72/393709172.db2.gz SUDFXXSKWQJSPS-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1cccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000433300270 393709173 /nfs/dbraw/zinc/70/91/73/393709173.db2.gz SUDFXXSKWQJSPS-OAHLLOKOSA-N 2 2 289.810 3.416 20 0 CGADLP CCSCC[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443787679 393772369 /nfs/dbraw/zinc/77/23/69/393772369.db2.gz JYBUQAYURYVFPK-GOEBONIOSA-N 2 2 280.481 3.329 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1Cl ZINC000443991892 393780175 /nfs/dbraw/zinc/78/01/75/393780175.db2.gz XEACJXUQDNIXOW-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1Cl ZINC000443991892 393780181 /nfs/dbraw/zinc/78/01/81/393780181.db2.gz XEACJXUQDNIXOW-SWLSCSKDSA-N 2 2 266.816 3.221 20 0 CGADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445451029 393795078 /nfs/dbraw/zinc/79/50/78/393795078.db2.gz ZQUCOEGYOFZYNC-GJZGRUSLSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445451029 393795083 /nfs/dbraw/zinc/79/50/83/393795083.db2.gz ZQUCOEGYOFZYNC-GJZGRUSLSA-N 2 2 263.429 3.109 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000503923443 393908925 /nfs/dbraw/zinc/90/89/25/393908925.db2.gz CXFFVKBTWKMXIC-NFAWXSAZSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000503923443 393908927 /nfs/dbraw/zinc/90/89/27/393908927.db2.gz CXFFVKBTWKMXIC-NFAWXSAZSA-N 2 2 278.465 3.399 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC[C@H]1C ZINC000450459830 393998296 /nfs/dbraw/zinc/99/82/96/393998296.db2.gz YGCAVXRLRUHPMS-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC[C@H]1C ZINC000450459830 393998299 /nfs/dbraw/zinc/99/82/99/393998299.db2.gz YGCAVXRLRUHPMS-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000450459830 393998302 /nfs/dbraw/zinc/99/83/02/393998302.db2.gz YGCAVXRLRUHPMS-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000450459830 393998304 /nfs/dbraw/zinc/99/83/04/393998304.db2.gz YGCAVXRLRUHPMS-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000453115181 394176403 /nfs/dbraw/zinc/17/64/03/394176403.db2.gz HURWZAHKKYUIMC-HOTGVXAUSA-N 2 2 284.407 3.205 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667475592 542875160 /nfs/dbraw/zinc/87/51/60/542875160.db2.gz WDZJKBIQVHCIHB-UHFFFAOYSA-N 2 2 257.381 3.141 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667475592 542875161 /nfs/dbraw/zinc/87/51/61/542875161.db2.gz WDZJKBIQVHCIHB-UHFFFAOYSA-N 2 2 257.381 3.141 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000453071091 394161656 /nfs/dbraw/zinc/16/16/56/394161656.db2.gz WSBXNXUMXPCHFY-ZBFHGGJFSA-N 2 2 292.471 3.064 20 0 CGADLP c1c(CC[NH2+][C@H](C2CC2)C2CCC2)[nH+]c2ccccn12 ZINC000453082025 394165353 /nfs/dbraw/zinc/16/53/53/394165353.db2.gz MOKSLDAONQFPNX-KRWDZBQOSA-N 2 2 269.392 3.045 20 0 CGADLP CCC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCC1 ZINC000453110703 394174338 /nfs/dbraw/zinc/17/43/38/394174338.db2.gz NZZORFRAOCQYIJ-KRWDZBQOSA-N 2 2 296.499 3.434 20 0 CGADLP CCC(C)(C)OCC[NH2+]CCCc1c[nH+]ccc1C ZINC000453607135 394256585 /nfs/dbraw/zinc/25/65/85/394256585.db2.gz AWYJBWFMQJLDDX-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)n1C ZINC000667494609 542877191 /nfs/dbraw/zinc/87/71/91/542877191.db2.gz FCDWIYJFWFNPED-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)n1C ZINC000667494609 542877193 /nfs/dbraw/zinc/87/71/93/542877193.db2.gz FCDWIYJFWFNPED-KRWDZBQOSA-N 2 2 269.392 3.374 20 0 CGADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453613841 394258347 /nfs/dbraw/zinc/25/83/47/394258347.db2.gz PDYXPTQIPBUNKI-HOCLYGCPSA-N 2 2 257.381 3.249 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C3CC3)C3CCC3)c[nH+]c12 ZINC000453627296 394263140 /nfs/dbraw/zinc/26/31/40/394263140.db2.gz VPQBCQZFBRJGOL-MRXNPFEDSA-N 2 2 269.392 3.311 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccccc2C)C2CC2)n1C ZINC000667498482 542878917 /nfs/dbraw/zinc/87/89/17/542878917.db2.gz KSQQPJCTRALWCJ-UHFFFAOYSA-N 2 2 269.392 3.202 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccccc2C)C2CC2)n1C ZINC000667498482 542878919 /nfs/dbraw/zinc/87/89/19/542878919.db2.gz KSQQPJCTRALWCJ-UHFFFAOYSA-N 2 2 269.392 3.202 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)n1C ZINC000667654650 542907243 /nfs/dbraw/zinc/90/72/43/542907243.db2.gz HMEIHFSNQSFZRC-PXAZEXFGSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)n1C ZINC000667654650 542907245 /nfs/dbraw/zinc/90/72/45/542907245.db2.gz HMEIHFSNQSFZRC-PXAZEXFGSA-N 2 2 287.382 3.451 20 0 CGADLP COCc1csc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000667668665 542912779 /nfs/dbraw/zinc/91/27/79/542912779.db2.gz VTSUTFRDNFTYIC-HNNXBMFYSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000667668665 542912780 /nfs/dbraw/zinc/91/27/80/542912780.db2.gz VTSUTFRDNFTYIC-HNNXBMFYSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000667668665 542912783 /nfs/dbraw/zinc/91/27/83/542912783.db2.gz VTSUTFRDNFTYIC-HNNXBMFYSA-N 2 2 296.480 3.201 20 0 CGADLP COCc1csc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000667668665 542912785 /nfs/dbraw/zinc/91/27/85/542912785.db2.gz VTSUTFRDNFTYIC-HNNXBMFYSA-N 2 2 296.480 3.201 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc21 ZINC000667705317 542920015 /nfs/dbraw/zinc/92/00/15/542920015.db2.gz AZSVEQKPAOZOIL-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705317 542920017 /nfs/dbraw/zinc/92/00/17/542920017.db2.gz AZSVEQKPAOZOIL-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc21 ZINC000667705317 542920019 /nfs/dbraw/zinc/92/00/19/542920019.db2.gz AZSVEQKPAOZOIL-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc21 ZINC000667705317 542920023 /nfs/dbraw/zinc/92/00/23/542920023.db2.gz AZSVEQKPAOZOIL-KXBFYZLASA-N 2 2 297.446 3.392 20 0 CGADLP CCc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000668189728 542985322 /nfs/dbraw/zinc/98/53/22/542985322.db2.gz NDAQNYMRDLBFMW-KRWDZBQOSA-N 2 2 283.419 3.280 20 0 CGADLP CCc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c(C)n3C)C2)cc1 ZINC000668189728 542985324 /nfs/dbraw/zinc/98/53/24/542985324.db2.gz NDAQNYMRDLBFMW-KRWDZBQOSA-N 2 2 283.419 3.280 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)n1C ZINC000668174298 542982313 /nfs/dbraw/zinc/98/23/13/542982313.db2.gz JNZLYPGIASGSAY-OCCSQVGLSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)n1C ZINC000668174298 542982315 /nfs/dbraw/zinc/98/23/15/542982315.db2.gz JNZLYPGIASGSAY-OCCSQVGLSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1C ZINC000668280698 543000763 /nfs/dbraw/zinc/00/07/63/543000763.db2.gz ATNPTEJRRQNLCW-KRWDZBQOSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)n1C ZINC000668280698 543000765 /nfs/dbraw/zinc/00/07/65/543000765.db2.gz ATNPTEJRRQNLCW-KRWDZBQOSA-N 2 2 287.382 3.031 20 0 CGADLP CCC[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000668439921 543013673 /nfs/dbraw/zinc/01/36/73/543013673.db2.gz GJQQYBPJVXRROE-UHFFFAOYSA-N 2 2 273.424 3.247 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1C ZINC000668536631 543024500 /nfs/dbraw/zinc/02/45/00/543024500.db2.gz WAJTUDKWCYJIDC-OAHLLOKOSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)n1C ZINC000668536631 543024503 /nfs/dbraw/zinc/02/45/03/543024503.db2.gz WAJTUDKWCYJIDC-OAHLLOKOSA-N 2 2 261.413 3.131 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC([C@@H]3CCCCO3)CC2)[nH+]1 ZINC000668626847 543037489 /nfs/dbraw/zinc/03/74/89/543037489.db2.gz AHBMHSKEYDEVAX-KRWDZBQOSA-N 2 2 299.418 3.115 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2(O)CCC(C)(C)CC2)c[nH+]1 ZINC000668680429 543044680 /nfs/dbraw/zinc/04/46/80/543044680.db2.gz RUHZZJPWUXPQDE-UHFFFAOYSA-N 2 2 290.451 3.244 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000314444242 292077143 /nfs/dbraw/zinc/07/71/43/292077143.db2.gz XYHVZEKRWVGNBJ-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669847646 543127634 /nfs/dbraw/zinc/12/76/34/543127634.db2.gz KIQUIMHLKZCABB-MHORFTMASA-N 2 2 295.430 3.482 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262996 543146392 /nfs/dbraw/zinc/14/63/92/543146392.db2.gz RDCFSHDBXIILFK-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262996 543146395 /nfs/dbraw/zinc/14/63/95/543146395.db2.gz RDCFSHDBXIILFK-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000671246772 543165272 /nfs/dbraw/zinc/16/52/72/543165272.db2.gz XTFYIEJALHPEBA-UHFFFAOYSA-N 2 2 257.381 3.140 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000671246772 543165274 /nfs/dbraw/zinc/16/52/74/543165274.db2.gz XTFYIEJALHPEBA-UHFFFAOYSA-N 2 2 257.381 3.140 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671296226 543166447 /nfs/dbraw/zinc/16/64/47/543166447.db2.gz MZECUJLGYDGHBN-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671296226 543166449 /nfs/dbraw/zinc/16/64/49/543166449.db2.gz MZECUJLGYDGHBN-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000671296283 543167018 /nfs/dbraw/zinc/16/70/18/543167018.db2.gz UORXKEHEYXHFJI-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000671296283 543167020 /nfs/dbraw/zinc/16/70/20/543167020.db2.gz UORXKEHEYXHFJI-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000672614913 543219723 /nfs/dbraw/zinc/21/97/23/543219723.db2.gz RBDCNJJCOGHIBC-KKUMJFAQSA-N 2 2 294.389 3.283 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1Cc1ccccc1 ZINC000672614913 543219725 /nfs/dbraw/zinc/21/97/25/543219725.db2.gz RBDCNJJCOGHIBC-KKUMJFAQSA-N 2 2 294.389 3.283 20 0 CGADLP CC(C)C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000301657428 397675128 /nfs/dbraw/zinc/67/51/28/397675128.db2.gz VTYVCBGABVEWLB-UHFFFAOYSA-N 2 2 275.421 3.074 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000277043774 292126075 /nfs/dbraw/zinc/12/60/75/292126075.db2.gz BYCSJFHJBXJQFL-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCc2ccc(Cl)cc21 ZINC000650710802 397899071 /nfs/dbraw/zinc/89/90/71/397899071.db2.gz ZYJVMZXMNTXYAK-LLVKDONJSA-N 2 2 266.816 3.039 20 0 CGADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCc2ccc(Cl)cc21 ZINC000650710802 397899072 /nfs/dbraw/zinc/89/90/72/397899072.db2.gz ZYJVMZXMNTXYAK-LLVKDONJSA-N 2 2 266.816 3.039 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000674711097 543294093 /nfs/dbraw/zinc/29/40/93/543294093.db2.gz OMZFJAVTMNTOQX-RHSMWYFYSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000674711097 543294095 /nfs/dbraw/zinc/29/40/95/543294095.db2.gz OMZFJAVTMNTOQX-RHSMWYFYSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000674711096 543294178 /nfs/dbraw/zinc/29/41/78/543294178.db2.gz OMZFJAVTMNTOQX-PBHICJAKSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000674711096 543294180 /nfs/dbraw/zinc/29/41/80/543294180.db2.gz OMZFJAVTMNTOQX-PBHICJAKSA-N 2 2 272.436 3.354 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912539 543307096 /nfs/dbraw/zinc/30/70/96/543307096.db2.gz GQUCWEPYEGARGC-TVQRCGJNSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912539 543307099 /nfs/dbraw/zinc/30/70/99/543307099.db2.gz GQUCWEPYEGARGC-TVQRCGJNSA-N 2 2 273.207 3.033 20 0 CGADLP Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000675548275 543346285 /nfs/dbraw/zinc/34/62/85/543346285.db2.gz KFMSWCVNNGZIBE-RYUDHWBXSA-N 2 2 276.428 3.077 20 0 CGADLP Cc1nc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000675548275 543346286 /nfs/dbraw/zinc/34/62/86/543346286.db2.gz KFMSWCVNNGZIBE-RYUDHWBXSA-N 2 2 276.428 3.077 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000675765625 543361777 /nfs/dbraw/zinc/36/17/77/543361777.db2.gz CANAELXOLXPSKL-ULQDDVLXSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000675765625 543361780 /nfs/dbraw/zinc/36/17/80/543361780.db2.gz CANAELXOLXPSKL-ULQDDVLXSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000675765623 543361839 /nfs/dbraw/zinc/36/18/39/543361839.db2.gz CANAELXOLXPSKL-BBWFWOEESA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000675765623 543361841 /nfs/dbraw/zinc/36/18/41/543361841.db2.gz CANAELXOLXPSKL-BBWFWOEESA-N 2 2 276.399 3.146 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675767403 543362157 /nfs/dbraw/zinc/36/21/57/543362157.db2.gz TZSZYFAHLDJCDK-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675767403 543362159 /nfs/dbraw/zinc/36/21/59/543362159.db2.gz TZSZYFAHLDJCDK-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802062 543366368 /nfs/dbraw/zinc/36/63/68/543366368.db2.gz HRANLSLQRUBFKK-YJBOKZPZSA-N 2 2 296.414 3.317 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802062 543366369 /nfs/dbraw/zinc/36/63/69/543366369.db2.gz HRANLSLQRUBFKK-YJBOKZPZSA-N 2 2 296.414 3.317 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccs1 ZINC000675924130 543374398 /nfs/dbraw/zinc/37/43/98/543374398.db2.gz CTPMMALDNPTHRK-STQMWFEESA-N 2 2 252.427 3.131 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccs1 ZINC000675924130 543374400 /nfs/dbraw/zinc/37/44/00/543374400.db2.gz CTPMMALDNPTHRK-STQMWFEESA-N 2 2 252.427 3.131 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129304 543434207 /nfs/dbraw/zinc/43/42/07/543434207.db2.gz JLSBSEAXFTXALF-LRDDRELGSA-N 2 2 280.362 3.026 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129304 543434209 /nfs/dbraw/zinc/43/42/09/543434209.db2.gz JLSBSEAXFTXALF-LRDDRELGSA-N 2 2 280.362 3.026 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000358587467 292169161 /nfs/dbraw/zinc/16/91/61/292169161.db2.gz KJSZNYLULPWMEB-BFYDXBDKSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cscn1 ZINC000678113942 543484171 /nfs/dbraw/zinc/48/41/71/543484171.db2.gz PRDIWMSEPGICEE-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cscc2Cl)CC[N@@H+]1C ZINC000678277714 543509824 /nfs/dbraw/zinc/50/98/24/543509824.db2.gz CSOCUMNGEBRMRX-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cscc2Cl)CC[N@H+]1C ZINC000678277714 543509827 /nfs/dbraw/zinc/50/98/27/543509827.db2.gz CSOCUMNGEBRMRX-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277714 543509830 /nfs/dbraw/zinc/50/98/30/543509830.db2.gz CSOCUMNGEBRMRX-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277714 543509833 /nfs/dbraw/zinc/50/98/33/543509833.db2.gz CSOCUMNGEBRMRX-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP Cc1ccc([NH2+]CC(C)(C)C)c(OCC[NH+](C)C)c1 ZINC000678344772 543516826 /nfs/dbraw/zinc/51/68/26/543516826.db2.gz GMXJMHBRCZMQJV-UHFFFAOYSA-N 2 2 264.413 3.393 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000678683077 543549157 /nfs/dbraw/zinc/54/91/57/543549157.db2.gz KZLMNMRFHCZBSG-RDJZCZTQSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000678683077 543549160 /nfs/dbraw/zinc/54/91/60/543549160.db2.gz KZLMNMRFHCZBSG-RDJZCZTQSA-N 2 2 276.424 3.076 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685991 543549862 /nfs/dbraw/zinc/54/98/62/543549862.db2.gz MVKOJXWECPEZGY-MSOLQXFVSA-N 2 2 288.410 3.351 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000678685991 543549863 /nfs/dbraw/zinc/54/98/63/543549863.db2.gz MVKOJXWECPEZGY-MSOLQXFVSA-N 2 2 288.410 3.351 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000678928413 543573420 /nfs/dbraw/zinc/57/34/20/543573420.db2.gz OQFLAOFQVKDWJX-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1(C)C ZINC000678928413 543573422 /nfs/dbraw/zinc/57/34/22/543573422.db2.gz OQFLAOFQVKDWJX-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240906 292260099 /nfs/dbraw/zinc/26/00/99/292260099.db2.gz UHNWXYXULYRZNO-RTBURBONSA-N 2 2 280.415 3.426 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423230479 286510140 /nfs/dbraw/zinc/51/01/40/286510140.db2.gz DRRSOFIOSYWWDP-YJBOKZPZSA-N 2 2 288.435 3.268 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423389177 286913278 /nfs/dbraw/zinc/91/32/78/286913278.db2.gz NKHBUZLUACGSRF-UKRRQHHQSA-N 2 2 279.403 3.040 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488428224 287014310 /nfs/dbraw/zinc/01/43/10/287014310.db2.gz YVNDIAUIYVVFNY-ARFHVFGLSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488428224 287014316 /nfs/dbraw/zinc/01/43/16/287014316.db2.gz YVNDIAUIYVVFNY-ARFHVFGLSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(O)c1 ZINC000423283359 287029009 /nfs/dbraw/zinc/02/90/09/287029009.db2.gz VUQQLDGYIYBJIT-CQSZACIVSA-N 2 2 276.424 3.355 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081635033 287075500 /nfs/dbraw/zinc/07/55/00/287075500.db2.gz ZEXIFSBEMQKBJH-PVAVHDDUSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070101234 165055393 /nfs/dbraw/zinc/05/53/93/165055393.db2.gz ULUDVKABQVLLSH-ZDUSSCGKSA-N 2 2 255.365 3.151 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000075836157 165105812 /nfs/dbraw/zinc/10/58/12/165105812.db2.gz OROFPZIJNVTFJV-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000075836157 165105817 /nfs/dbraw/zinc/10/58/17/165105817.db2.gz OROFPZIJNVTFJV-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000084983568 165176450 /nfs/dbraw/zinc/17/64/50/165176450.db2.gz CULSWCOLFDLBLO-HLLBOEOZSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220006 165231182 /nfs/dbraw/zinc/23/11/82/165231182.db2.gz MAAFBFAYFJYZJO-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220006 165231185 /nfs/dbraw/zinc/23/11/85/165231185.db2.gz MAAFBFAYFJYZJO-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772886 165244400 /nfs/dbraw/zinc/24/44/00/165244400.db2.gz KPHMGBBAEWTNIO-YJBOKZPZSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090772886 165244403 /nfs/dbraw/zinc/24/44/03/165244403.db2.gz KPHMGBBAEWTNIO-YJBOKZPZSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961056 165276478 /nfs/dbraw/zinc/27/64/78/165276478.db2.gz NROCDDKSKBFLTC-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000091961056 165276481 /nfs/dbraw/zinc/27/64/81/165276481.db2.gz NROCDDKSKBFLTC-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959948 165278032 /nfs/dbraw/zinc/27/80/32/165278032.db2.gz SEICCHWUWKPWDA-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959948 165278034 /nfs/dbraw/zinc/27/80/34/165278034.db2.gz SEICCHWUWKPWDA-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000091961046 165279740 /nfs/dbraw/zinc/27/97/40/165279740.db2.gz PDOAVODCKCMPBD-JSGCOSHPSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000091961046 165279741 /nfs/dbraw/zinc/27/97/41/165279741.db2.gz PDOAVODCKCMPBD-JSGCOSHPSA-N 2 2 261.394 3.028 20 0 CGADLP C[N@H+](Cc1csc(-c2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000093874137 165338360 /nfs/dbraw/zinc/33/83/60/165338360.db2.gz CIJHZECKBQZDII-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP C[N@@H+](Cc1csc(-c2ccccc2)n1)CC(C)(C)C[NH3+] ZINC000093874137 165338363 /nfs/dbraw/zinc/33/83/63/165338363.db2.gz CIJHZECKBQZDII-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638659 287118252 /nfs/dbraw/zinc/11/82/52/287118252.db2.gz HGBPUEHYTMRZHT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638659 287118254 /nfs/dbraw/zinc/11/82/54/287118254.db2.gz HGBPUEHYTMRZHT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638659 287118256 /nfs/dbraw/zinc/11/82/56/287118256.db2.gz HGBPUEHYTMRZHT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638659 287118257 /nfs/dbraw/zinc/11/82/57/287118257.db2.gz HGBPUEHYTMRZHT-RHSMWYFYSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093693825 287118843 /nfs/dbraw/zinc/11/88/43/287118843.db2.gz OXZOAFOLGXLBIR-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093693825 287118845 /nfs/dbraw/zinc/11/88/45/287118845.db2.gz OXZOAFOLGXLBIR-MRXNPFEDSA-N 2 2 278.415 3.298 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554933 165819500 /nfs/dbraw/zinc/81/95/00/165819500.db2.gz BCYZZVNWOQISDG-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261554933 165819504 /nfs/dbraw/zinc/81/95/04/165819504.db2.gz BCYZZVNWOQISDG-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Cn1ccc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000121804359 287203699 /nfs/dbraw/zinc/20/36/99/287203699.db2.gz UJHAKPDQYRYVDC-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP Cn1ccc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000121804359 287203700 /nfs/dbraw/zinc/20/37/00/287203700.db2.gz UJHAKPDQYRYVDC-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122995489 287214802 /nfs/dbraw/zinc/21/48/02/287214802.db2.gz ZARGGTMGHSVQKG-OFQRWUPVSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122995489 287214803 /nfs/dbraw/zinc/21/48/03/287214803.db2.gz ZARGGTMGHSVQKG-OFQRWUPVSA-N 2 2 258.409 3.271 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000020129093 171016527 /nfs/dbraw/zinc/01/65/27/171016527.db2.gz SJAKTZPCDGGWIL-GFCCVEGCSA-N 2 2 268.351 3.101 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccncc1 ZINC000020186669 171050638 /nfs/dbraw/zinc/05/06/38/171050638.db2.gz ILOVSJHXUVMDDX-ZDUSSCGKSA-N 2 2 280.375 3.091 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000020189417 171055625 /nfs/dbraw/zinc/05/56/25/171055625.db2.gz OFXLRVGMNLBVCE-UHFFFAOYSA-N 2 2 272.392 3.395 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1C ZINC000021815394 171332128 /nfs/dbraw/zinc/33/21/28/171332128.db2.gz UPDCBBHILHXPPQ-MRXNPFEDSA-N 2 2 260.425 3.358 20 0 CGADLP C[N@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285367822 196263904 /nfs/dbraw/zinc/26/39/04/196263904.db2.gz BYFUFXUSLSKUSI-PBWFPOADSA-N 2 2 280.362 3.022 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285367822 196263906 /nfs/dbraw/zinc/26/39/06/196263906.db2.gz BYFUFXUSLSKUSI-PBWFPOADSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285367822 196263908 /nfs/dbraw/zinc/26/39/08/196263908.db2.gz BYFUFXUSLSKUSI-PBWFPOADSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285367822 196263909 /nfs/dbraw/zinc/26/39/09/196263909.db2.gz BYFUFXUSLSKUSI-PBWFPOADSA-N 2 2 280.362 3.022 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037213775 173034628 /nfs/dbraw/zinc/03/46/28/173034628.db2.gz GLHNLSCJKZYCPT-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037213775 173034631 /nfs/dbraw/zinc/03/46/31/173034631.db2.gz GLHNLSCJKZYCPT-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037320317 173121257 /nfs/dbraw/zinc/12/12/57/173121257.db2.gz ILLCSINXNUEIGB-MNOVXSKESA-N 2 2 281.762 3.415 20 0 CGADLP C[C@@H]([NH2+]CCCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000285736460 196384008 /nfs/dbraw/zinc/38/40/08/196384008.db2.gz USFZMLSPRXTJLD-CYBMUJFWSA-N 2 2 261.344 3.273 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028496 174017124 /nfs/dbraw/zinc/01/71/24/174017124.db2.gz XCOOVVVTNSJWTL-IRXDYDNUSA-N 2 2 274.452 3.472 20 0 CGADLP CC[N@H+](CC[NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000127336405 287285858 /nfs/dbraw/zinc/28/58/58/287285858.db2.gz RCUOAIYQOPCMSW-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CC(c2ccccc2F)C1)C1CC1 ZINC000127336405 287285860 /nfs/dbraw/zinc/28/58/60/287285860.db2.gz RCUOAIYQOPCMSW-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1cccc2ccccc21 ZINC000038088789 174102107 /nfs/dbraw/zinc/10/21/07/174102107.db2.gz IOSYRLAKWURPRJ-ZIAGYGMSSA-N 2 2 256.393 3.441 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)[NH+](C)C ZINC000038088787 174102341 /nfs/dbraw/zinc/10/23/41/174102341.db2.gz IOSYRLAKWURPRJ-KGLIPLIRSA-N 2 2 256.393 3.441 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000040640410 174364155 /nfs/dbraw/zinc/36/41/55/174364155.db2.gz GFTHGZCYPUCWQD-ZWKOTPCHSA-N 2 2 288.435 3.190 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000040640410 174364156 /nfs/dbraw/zinc/36/41/56/174364156.db2.gz GFTHGZCYPUCWQD-ZWKOTPCHSA-N 2 2 288.435 3.190 20 0 CGADLP CCC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000071314652 176121223 /nfs/dbraw/zinc/12/12/23/176121223.db2.gz NWTSLUKJMNYEBA-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000071314652 176121224 /nfs/dbraw/zinc/12/12/24/176121224.db2.gz NWTSLUKJMNYEBA-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccccn2)CC[N@H+](Cc2ccccc2)C1 ZINC000309828333 416529710 /nfs/dbraw/zinc/52/97/10/416529710.db2.gz RLDSCMGPSCLFRJ-LJQANCHMSA-N 2 2 295.430 3.083 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccccn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309828333 416529713 /nfs/dbraw/zinc/52/97/13/416529713.db2.gz RLDSCMGPSCLFRJ-LJQANCHMSA-N 2 2 295.430 3.083 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)[C@H]1CC[NH3+] ZINC000404281595 416551558 /nfs/dbraw/zinc/55/15/58/416551558.db2.gz ASQHXTXHVCLZPM-OLZOCXBDSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)[C@H]1CC[NH3+] ZINC000404281595 416551562 /nfs/dbraw/zinc/55/15/62/416551562.db2.gz ASQHXTXHVCLZPM-OLZOCXBDSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1CC[NH3+] ZINC000404307909 416552963 /nfs/dbraw/zinc/55/29/63/416552963.db2.gz GLYJJPZZXYTSIE-TZMCWYRMSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1CC[NH3+] ZINC000404307909 416552964 /nfs/dbraw/zinc/55/29/64/416552964.db2.gz GLYJJPZZXYTSIE-TZMCWYRMSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000679040198 543585850 /nfs/dbraw/zinc/58/58/50/543585850.db2.gz ZXKOCPWCXXPDHM-JKIFEVAISA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCCC1 ZINC000679040198 543585851 /nfs/dbraw/zinc/58/58/51/543585851.db2.gz ZXKOCPWCXXPDHM-JKIFEVAISA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000679039602 543586056 /nfs/dbraw/zinc/58/60/56/543586056.db2.gz SCQHTTPJFIMFON-IIAWOOMASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000679039602 543586059 /nfs/dbraw/zinc/58/60/59/543586059.db2.gz SCQHTTPJFIMFON-IIAWOOMASA-N 2 2 264.457 3.418 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000679624970 543650650 /nfs/dbraw/zinc/65/06/50/543650650.db2.gz MVPZLIFHESVQHX-UHFFFAOYSA-N 2 2 296.867 3.009 20 0 CGADLP FC1(F)CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680132224 543686764 /nfs/dbraw/zinc/68/67/64/543686764.db2.gz RTYOYZNZRPTJAM-SNVBAGLBSA-N 2 2 283.347 3.211 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680326744 543697449 /nfs/dbraw/zinc/69/74/49/543697449.db2.gz ICYSZGFRPXWXQG-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680326744 543697451 /nfs/dbraw/zinc/69/74/51/543697451.db2.gz ICYSZGFRPXWXQG-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681366990 543783712 /nfs/dbraw/zinc/78/37/12/543783712.db2.gz ITRNCSOGLGYUKR-USXIJHARSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681366990 543783715 /nfs/dbraw/zinc/78/37/15/543783715.db2.gz ITRNCSOGLGYUKR-USXIJHARSA-N 2 2 262.441 3.053 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675298 543801712 /nfs/dbraw/zinc/80/17/12/543801712.db2.gz KNYZSHJDWMBNBS-GOEBONIOSA-N 2 2 267.376 3.277 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@@H]3CCc4ccccc43)C2)[nH]1 ZINC000681675298 543801713 /nfs/dbraw/zinc/80/17/13/543801713.db2.gz KNYZSHJDWMBNBS-GOEBONIOSA-N 2 2 267.376 3.277 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000682529654 543850350 /nfs/dbraw/zinc/85/03/50/543850350.db2.gz PYBDGJQAOMRUDW-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000682529654 543850353 /nfs/dbraw/zinc/85/03/53/543850353.db2.gz PYBDGJQAOMRUDW-QGZVFWFLSA-N 2 2 260.425 3.211 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000684394844 543992633 /nfs/dbraw/zinc/99/26/33/543992633.db2.gz LYGHLYTVIHBYJB-DZJNRPSUSA-N 2 2 290.451 3.225 20 0 CGADLP C[N@H+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443798 544071577 /nfs/dbraw/zinc/07/15/77/544071577.db2.gz FTQXAVLPTZZQSJ-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[N@@H+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443798 544071579 /nfs/dbraw/zinc/07/15/79/544071579.db2.gz FTQXAVLPTZZQSJ-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443798 544071582 /nfs/dbraw/zinc/07/15/82/544071582.db2.gz FTQXAVLPTZZQSJ-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443798 544071584 /nfs/dbraw/zinc/07/15/84/544071584.db2.gz FTQXAVLPTZZQSJ-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP COC1CC[NH+](CC[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000685617977 544090452 /nfs/dbraw/zinc/09/04/52/544090452.db2.gz XWYOOPHUPMQSPR-UHFFFAOYSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631846 544090987 /nfs/dbraw/zinc/09/09/87/544090987.db2.gz NAGXQPWMXNTGOX-IRXDYDNUSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000685631846 544090989 /nfs/dbraw/zinc/09/09/89/544090989.db2.gz NAGXQPWMXNTGOX-IRXDYDNUSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000354918527 227233691 /nfs/dbraw/zinc/23/36/91/227233691.db2.gz IOZMJOIQTJDVDZ-HPFXQQBRSA-N 2 2 290.451 3.001 20 0 CGADLP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1ccc(F)cn1 ZINC000652222358 418937522 /nfs/dbraw/zinc/93/75/22/418937522.db2.gz MERMVBKOWDWBIH-HNNXBMFYSA-N 2 2 281.419 3.239 20 0 CGADLP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1ccc(F)cn1 ZINC000652222358 418937523 /nfs/dbraw/zinc/93/75/23/418937523.db2.gz MERMVBKOWDWBIH-HNNXBMFYSA-N 2 2 281.419 3.239 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659856946 419014737 /nfs/dbraw/zinc/01/47/37/419014737.db2.gz DXSIEDQUYPXLQH-XHSDSOJGSA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659856946 419014739 /nfs/dbraw/zinc/01/47/39/419014739.db2.gz DXSIEDQUYPXLQH-XHSDSOJGSA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659856946 419014741 /nfs/dbraw/zinc/01/47/41/419014741.db2.gz DXSIEDQUYPXLQH-XHSDSOJGSA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659856946 419014745 /nfs/dbraw/zinc/01/47/45/419014745.db2.gz DXSIEDQUYPXLQH-XHSDSOJGSA-N 2 2 252.446 3.085 20 0 CGADLP CO[C@@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909010 419032328 /nfs/dbraw/zinc/03/23/28/419032328.db2.gz LISCRGCXANSVBH-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP CO[C@@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909010 419032331 /nfs/dbraw/zinc/03/23/31/419032331.db2.gz LISCRGCXANSVBH-MSOLQXFVSA-N 2 2 294.483 3.142 20 0 CGADLP c1cn2c([nH+]1)[C@@H](Nc1cccc3cc[nH+]cc31)CCC2 ZINC000655751556 419086605 /nfs/dbraw/zinc/08/66/05/419086605.db2.gz HYQMAGXJGAPDML-HNNXBMFYSA-N 2 2 264.332 3.378 20 0 CGADLP CC(C)=CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000660148333 419087877 /nfs/dbraw/zinc/08/78/77/419087877.db2.gz OPGGGGKSMOTXMJ-UHFFFAOYSA-N 2 2 259.397 3.314 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000665250703 419091630 /nfs/dbraw/zinc/09/16/30/419091630.db2.gz ZSXGKJJCQCMTBO-KFKAGJAMSA-N 2 2 280.415 3.483 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660168532 419092055 /nfs/dbraw/zinc/09/20/55/419092055.db2.gz DJWDJLLLZBVPIR-QKPAOTATSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660168532 419092057 /nfs/dbraw/zinc/09/20/57/419092057.db2.gz DJWDJLLLZBVPIR-QKPAOTATSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660168532 419092061 /nfs/dbraw/zinc/09/20/61/419092061.db2.gz DJWDJLLLZBVPIR-QKPAOTATSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660168532 419092063 /nfs/dbraw/zinc/09/20/63/419092063.db2.gz DJWDJLLLZBVPIR-QKPAOTATSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccncc1 ZINC000665252214 419094228 /nfs/dbraw/zinc/09/42/28/419094228.db2.gz KBRVYWOBULXGRY-GUDVDZBRSA-N 2 2 295.430 3.268 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253454 419094240 /nfs/dbraw/zinc/09/42/40/419094240.db2.gz RCYNMCCPHDHTGQ-DAXOMENPSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)oc2cc1C ZINC000665277393 419099664 /nfs/dbraw/zinc/09/96/64/419099664.db2.gz AJRDILUGXQSQHY-VNSJNIRKSA-N 2 2 284.403 3.452 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C3CC3)[C@H]3CCCCO3)n2c1 ZINC000655811108 419103682 /nfs/dbraw/zinc/10/36/82/419103682.db2.gz HYMZCNFGQOUPOX-SJLPKXTDSA-N 2 2 299.418 3.080 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665296489 419108412 /nfs/dbraw/zinc/10/84/12/419108412.db2.gz TWXROTVPFXYHIQ-RYUDHWBXSA-N 2 2 260.381 3.254 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000665296370 419108805 /nfs/dbraw/zinc/10/88/05/419108805.db2.gz RWCIDUSYXYAFNZ-IINYFYTJSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2ccc(C(C)C)cc21 ZINC000665296579 419109443 /nfs/dbraw/zinc/10/94/43/419109443.db2.gz UXRMIXNIKZNUGQ-BBRMVZONSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000655848578 419118851 /nfs/dbraw/zinc/11/88/51/419118851.db2.gz IDEMITUPUXPLKD-IMJJTQAJSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000655848578 419118852 /nfs/dbraw/zinc/11/88/52/419118852.db2.gz IDEMITUPUXPLKD-IMJJTQAJSA-N 2 2 250.430 3.172 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848955 419120066 /nfs/dbraw/zinc/12/00/66/419120066.db2.gz MKEXCJZVDKYWLZ-SAGYGOJTSA-N 2 2 292.467 3.085 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848955 419120067 /nfs/dbraw/zinc/12/00/67/419120067.db2.gz MKEXCJZVDKYWLZ-SAGYGOJTSA-N 2 2 292.467 3.085 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655849877 419120122 /nfs/dbraw/zinc/12/01/22/419120122.db2.gz QJCFWYJVFBIBJE-QGTPRVQTSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655849877 419120123 /nfs/dbraw/zinc/12/01/23/419120123.db2.gz QJCFWYJVFBIBJE-QGTPRVQTSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)[NH+](C)C)cc1 ZINC000655703460 419070597 /nfs/dbraw/zinc/07/05/97/419070597.db2.gz QVLSQGSEQUIVCQ-PVAVHDDUSA-N 2 2 292.492 3.471 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078282 419073539 /nfs/dbraw/zinc/07/35/39/419073539.db2.gz TYHJKCMUWRCBNI-VXGBXAGGSA-N 2 2 271.355 3.271 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078282 419073542 /nfs/dbraw/zinc/07/35/42/419073542.db2.gz TYHJKCMUWRCBNI-VXGBXAGGSA-N 2 2 271.355 3.271 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000660489831 419152748 /nfs/dbraw/zinc/15/27/48/419152748.db2.gz MFFJGTQHRPHGBI-IRXDYDNUSA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000660489831 419152751 /nfs/dbraw/zinc/15/27/51/419152751.db2.gz MFFJGTQHRPHGBI-IRXDYDNUSA-N 2 2 258.409 3.378 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660318022 419127072 /nfs/dbraw/zinc/12/70/72/419127072.db2.gz UTCJYXGXWHPWAZ-KLHDSHLOSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@H](C)CC[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660318022 419127074 /nfs/dbraw/zinc/12/70/74/419127074.db2.gz UTCJYXGXWHPWAZ-KLHDSHLOSA-N 2 2 252.446 3.085 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510477 419269190 /nfs/dbraw/zinc/26/91/90/419269190.db2.gz HDXKOGJBTOPNAL-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510477 419269192 /nfs/dbraw/zinc/26/91/92/419269192.db2.gz HDXKOGJBTOPNAL-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510477 419269194 /nfs/dbraw/zinc/26/91/94/419269194.db2.gz HDXKOGJBTOPNAL-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510477 419269196 /nfs/dbraw/zinc/26/91/96/419269196.db2.gz HDXKOGJBTOPNAL-DLBZAZTESA-N 2 2 276.399 3.447 20 0 CGADLP Cc1ccccc1C(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657341649 419254637 /nfs/dbraw/zinc/25/46/37/419254637.db2.gz HBJAYRIAPVEZPC-UHFFFAOYSA-N 2 2 283.419 3.205 20 0 CGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Oc1ccccc1C ZINC000657388537 419266870 /nfs/dbraw/zinc/26/68/70/419266870.db2.gz DHFOSYPHEQTONT-INIZCTEOSA-N 2 2 299.418 3.085 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)c1ccc(F)cc1F ZINC000656682488 419200957 /nfs/dbraw/zinc/20/09/57/419200957.db2.gz SLTQZRQYLHNSEW-XHDPSFHLSA-N 2 2 270.367 3.346 20 0 CGADLP CCn1c[nH+]cc1CNc1[nH+]ccc(C)c1C1CC1 ZINC000656778871 419216956 /nfs/dbraw/zinc/21/69/56/419216956.db2.gz DVXNPGPMWZXOFI-UHFFFAOYSA-N 2 2 256.353 3.096 20 0 CGADLP Clc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784498 419218157 /nfs/dbraw/zinc/21/81/57/419218157.db2.gz BIMVQHRZSDSBAC-LBPRGKRZSA-N 2 2 299.871 3.008 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CCCC1 ZINC000656788688 419220522 /nfs/dbraw/zinc/22/05/22/419220522.db2.gz BCHYOUXRFNWNET-UHFFFAOYSA-N 2 2 287.432 3.171 20 0 CGADLP Cc1c[nH]c(CNc2cc(C[NH+]3CCCC3)ccc2C)[nH+]1 ZINC000657411380 419272299 /nfs/dbraw/zinc/27/22/99/419272299.db2.gz FXISHIHPRLOBJV-UHFFFAOYSA-N 2 2 284.407 3.234 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438337 419279009 /nfs/dbraw/zinc/27/90/09/419279009.db2.gz PBLQKIBTMBJWTL-CYBMUJFWSA-N 2 2 273.405 3.058 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CO1 ZINC000657445675 419280876 /nfs/dbraw/zinc/28/08/76/419280876.db2.gz ICCXCZGXTSTTNW-HPFXQQBRSA-N 2 2 290.451 3.143 20 0 CGADLP FCC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000661691674 419285997 /nfs/dbraw/zinc/28/59/97/419285997.db2.gz IERUISSAJDDEPK-HNNXBMFYSA-N 2 2 287.382 3.444 20 0 CGADLP FCC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000661691674 419286000 /nfs/dbraw/zinc/28/60/00/419286000.db2.gz IERUISSAJDDEPK-HNNXBMFYSA-N 2 2 287.382 3.444 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657494492 419293968 /nfs/dbraw/zinc/29/39/68/419293968.db2.gz OVYLEWYTQCMWOP-UHFFFAOYSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525971 419296899 /nfs/dbraw/zinc/29/68/99/419296899.db2.gz ZAJTYWDRDYTQQG-HNNXBMFYSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525971 419296901 /nfs/dbraw/zinc/29/69/01/419296901.db2.gz ZAJTYWDRDYTQQG-HNNXBMFYSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523109 419298117 /nfs/dbraw/zinc/29/81/17/419298117.db2.gz DJZGSKNISHYTJW-CJNGLKHVSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523109 419298118 /nfs/dbraw/zinc/29/81/18/419298118.db2.gz DJZGSKNISHYTJW-CJNGLKHVSA-N 2 2 278.415 3.392 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1 ZINC000657526886 419298343 /nfs/dbraw/zinc/29/83/43/419298343.db2.gz OMZHOFMMELDUTL-MRXNPFEDSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1 ZINC000657526886 419298346 /nfs/dbraw/zinc/29/83/46/419298346.db2.gz OMZHOFMMELDUTL-MRXNPFEDSA-N 2 2 290.451 3.356 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000657564670 419305798 /nfs/dbraw/zinc/30/57/98/419305798.db2.gz YLGOEXIDMTXISL-TWMKSMIVSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000657564670 419305802 /nfs/dbraw/zinc/30/58/02/419305802.db2.gz YLGOEXIDMTXISL-TWMKSMIVSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCSCC2)[NH+](C)C)cc1 ZINC000657859880 419392697 /nfs/dbraw/zinc/39/26/97/419392697.db2.gz YJNPBEQCGMOJCM-IRXDYDNUSA-N 2 2 292.492 3.473 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992362 419481198 /nfs/dbraw/zinc/48/11/98/419481198.db2.gz IBFDOMSBCNULQG-WCQYABFASA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992362 419481200 /nfs/dbraw/zinc/48/12/00/419481200.db2.gz IBFDOMSBCNULQG-WCQYABFASA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058383 419527931 /nfs/dbraw/zinc/52/79/31/419527931.db2.gz SCHOOXQFUZZDJQ-JKSUJKDBSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058383 419527941 /nfs/dbraw/zinc/52/79/41/419527941.db2.gz SCHOOXQFUZZDJQ-JKSUJKDBSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000658059363 419530518 /nfs/dbraw/zinc/53/05/18/419530518.db2.gz HZERIMGRXXQTLG-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000658059363 419530528 /nfs/dbraw/zinc/53/05/28/419530528.db2.gz HZERIMGRXXQTLG-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000658095323 419575258 /nfs/dbraw/zinc/57/52/58/419575258.db2.gz GOIPJEPMWRUCTB-ZNMIVQPWSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000658095323 419575261 /nfs/dbraw/zinc/57/52/61/419575261.db2.gz GOIPJEPMWRUCTB-ZNMIVQPWSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663386443 419587526 /nfs/dbraw/zinc/58/75/26/419587526.db2.gz MGDLRBLJZIJMAA-LLVKDONJSA-N 2 2 299.340 3.305 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663386443 419587527 /nfs/dbraw/zinc/58/75/27/419587527.db2.gz MGDLRBLJZIJMAA-LLVKDONJSA-N 2 2 299.340 3.305 20 0 CGADLP CC(C)C[N@@H+]1CC[C@@H](CNc2[nH+]ccc3c(N)cccc32)C1 ZINC000663708243 419686982 /nfs/dbraw/zinc/68/69/82/419686982.db2.gz HUPIPWFMXOIDMZ-AWEZNQCLSA-N 2 2 298.434 3.207 20 0 CGADLP CC(C)C[N@H+]1CC[C@@H](CNc2[nH+]ccc3c(N)cccc32)C1 ZINC000663708243 419686992 /nfs/dbraw/zinc/68/69/92/419686992.db2.gz HUPIPWFMXOIDMZ-AWEZNQCLSA-N 2 2 298.434 3.207 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000658288379 419736829 /nfs/dbraw/zinc/73/68/29/419736829.db2.gz VCMUUQFHZMIFJI-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000658288379 419736834 /nfs/dbraw/zinc/73/68/34/419736834.db2.gz VCMUUQFHZMIFJI-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212737265 287627442 /nfs/dbraw/zinc/62/74/42/287627442.db2.gz CUMKYRAWXCDTTO-MNOVXSKESA-N 2 2 281.762 3.415 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000221972500 261350371 /nfs/dbraw/zinc/35/03/71/261350371.db2.gz CMCLYPUTZSVUIZ-YOEHRIQHSA-N 2 2 280.431 3.323 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035259012 270027675 /nfs/dbraw/zinc/02/76/75/270027675.db2.gz XWWOWHPXUPTFPF-CRAIPNDOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532765 270035803 /nfs/dbraw/zinc/03/58/03/270035803.db2.gz MMZABOQSTMXRBW-RYUDHWBXSA-N 2 2 284.806 3.472 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1Cl ZINC000044532765 270035805 /nfs/dbraw/zinc/03/58/05/270035805.db2.gz MMZABOQSTMXRBW-RYUDHWBXSA-N 2 2 284.806 3.472 20 0 CGADLP CCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000045107246 270038254 /nfs/dbraw/zinc/03/82/54/270038254.db2.gz BXLCWLVASINZCX-UHFFFAOYSA-N 2 2 263.410 3.077 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000105480643 270047639 /nfs/dbraw/zinc/04/76/39/270047639.db2.gz UPPQHMWWXMQKCQ-HZMBPMFUSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000105480643 270047640 /nfs/dbraw/zinc/04/76/40/270047640.db2.gz UPPQHMWWXMQKCQ-HZMBPMFUSA-N 2 2 287.234 3.423 20 0 CGADLP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000236834153 270089253 /nfs/dbraw/zinc/08/92/53/270089253.db2.gz XIJGBGQQLLQGQA-MRXNPFEDSA-N 2 2 299.374 3.330 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321957089 270093331 /nfs/dbraw/zinc/09/33/31/270093331.db2.gz XZIBUAZAWPVGDT-DLTWYDFYSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321957089 270093332 /nfs/dbraw/zinc/09/33/32/270093332.db2.gz XZIBUAZAWPVGDT-DLTWYDFYSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000525874473 270120322 /nfs/dbraw/zinc/12/03/22/270120322.db2.gz AIWOXBGKMHGHCO-WMLDXEAASA-N 2 2 280.431 3.495 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000525874741 270120541 /nfs/dbraw/zinc/12/05/41/270120541.db2.gz HBCQBFGLNYEMSN-LSDHHAIUSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000525874741 270120542 /nfs/dbraw/zinc/12/05/42/270120542.db2.gz HBCQBFGLNYEMSN-LSDHHAIUSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527098584 270125120 /nfs/dbraw/zinc/12/51/20/270125120.db2.gz DPVUBAOCKRXUBT-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000527098584 270125121 /nfs/dbraw/zinc/12/51/21/270125121.db2.gz DPVUBAOCKRXUBT-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000527673126 270131388 /nfs/dbraw/zinc/13/13/88/270131388.db2.gz MSHQDHBWIOZFEY-STQMWFEESA-N 2 2 276.415 3.376 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000527673126 270131389 /nfs/dbraw/zinc/13/13/89/270131389.db2.gz MSHQDHBWIOZFEY-STQMWFEESA-N 2 2 276.415 3.376 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2CC(C)C)n1C ZINC000527740765 270133726 /nfs/dbraw/zinc/13/37/26/270133726.db2.gz ZTEOSWXYZKXIKG-UHFFFAOYSA-N 2 2 271.408 3.217 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527751643 270134201 /nfs/dbraw/zinc/13/42/01/270134201.db2.gz XNMZVOWJORGXQS-MAUKXSAKSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527751643 270134202 /nfs/dbraw/zinc/13/42/02/270134202.db2.gz XNMZVOWJORGXQS-MAUKXSAKSA-N 2 2 270.420 3.063 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)n1C ZINC000527796130 270136380 /nfs/dbraw/zinc/13/63/80/270136380.db2.gz JYMRALUPLJLREI-OAHLLOKOSA-N 2 2 275.783 3.159 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527868820 270140814 /nfs/dbraw/zinc/14/08/14/270140814.db2.gz LQUXYCOYOWEPHI-ONIAQPFYSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527868820 270140815 /nfs/dbraw/zinc/14/08/15/270140815.db2.gz LQUXYCOYOWEPHI-ONIAQPFYSA-N 2 2 284.447 3.428 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000527850733 270139688 /nfs/dbraw/zinc/13/96/88/270139688.db2.gz NPDNBLBQNMIHFB-AWEZNQCLSA-N 2 2 277.412 3.157 20 0 CGADLP COc1ccc[nH+]c1NCCCC[N@H+]1CCCC[C@@H]1C ZINC000527850733 270139689 /nfs/dbraw/zinc/13/96/89/270139689.db2.gz NPDNBLBQNMIHFB-AWEZNQCLSA-N 2 2 277.412 3.157 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2ccccc21 ZINC000527901370 270142865 /nfs/dbraw/zinc/14/28/65/270142865.db2.gz FURZTMUWWSJKEI-UHFFFAOYSA-N 2 2 280.375 3.054 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946352 270146197 /nfs/dbraw/zinc/14/61/97/270146197.db2.gz IDTJQYABUWKPHB-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527946352 270146198 /nfs/dbraw/zinc/14/61/98/270146198.db2.gz IDTJQYABUWKPHB-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527975352 270147888 /nfs/dbraw/zinc/14/78/88/270147888.db2.gz VRLXAJHVAVXHCF-XKQJLSEDSA-N 2 2 285.391 3.090 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000527999997 270149937 /nfs/dbraw/zinc/14/99/37/270149937.db2.gz IJPOHFFQEITRAO-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000527999997 270149938 /nfs/dbraw/zinc/14/99/38/270149938.db2.gz IJPOHFFQEITRAO-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C)cc[nH+]2)cc1 ZINC000528140181 270155589 /nfs/dbraw/zinc/15/55/89/270155589.db2.gz PSYFHVCWWUQFCC-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(C)cc[nH+]2)cc1 ZINC000528140181 270155590 /nfs/dbraw/zinc/15/55/90/270155590.db2.gz PSYFHVCWWUQFCC-INIZCTEOSA-N 2 2 297.402 3.085 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC000529535463 270183313 /nfs/dbraw/zinc/18/33/13/270183313.db2.gz HCEHKGUHLKIGSJ-LBPRGKRZSA-N 2 2 291.345 3.396 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529643221 270186851 /nfs/dbraw/zinc/18/68/51/270186851.db2.gz XJYHMMVSBQLKHO-NVXWUHKLSA-N 2 2 262.441 3.482 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529643221 270186852 /nfs/dbraw/zinc/18/68/52/270186852.db2.gz XJYHMMVSBQLKHO-NVXWUHKLSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C2CC2)c1 ZINC000530215713 270195834 /nfs/dbraw/zinc/19/58/34/270195834.db2.gz IEONYKCOJUIMHL-SUMWQHHRSA-N 2 2 270.420 3.499 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530218363 270196301 /nfs/dbraw/zinc/19/63/01/270196301.db2.gz VYQKBBRKHXPLCH-RHSMWYFYSA-N 2 2 288.435 3.247 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530219439 270196334 /nfs/dbraw/zinc/19/63/34/270196334.db2.gz LSXJKVDAKLGPJS-IAGOWNOFSA-N 2 2 270.420 3.247 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531685835 270208482 /nfs/dbraw/zinc/20/84/82/270208482.db2.gz PYAOARMMCQTGKN-NHYWBVRUSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937937 270210952 /nfs/dbraw/zinc/21/09/52/270210952.db2.gz WVBVAWIHGKWEBL-WMLDXEAASA-N 2 2 290.426 3.177 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937937 270210953 /nfs/dbraw/zinc/21/09/53/270210953.db2.gz WVBVAWIHGKWEBL-WMLDXEAASA-N 2 2 290.426 3.177 20 0 CGADLP c1cn(CCC[NH2+][C@@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000531932309 270211045 /nfs/dbraw/zinc/21/10/45/270211045.db2.gz ITVJCQBYTVDWKQ-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945258 270211136 /nfs/dbraw/zinc/21/11/36/270211136.db2.gz QDFWHGVXPJZSOC-NVXWUHKLSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945258 270211137 /nfs/dbraw/zinc/21/11/37/270211137.db2.gz QDFWHGVXPJZSOC-NVXWUHKLSA-N 2 2 272.436 3.038 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984638 270212274 /nfs/dbraw/zinc/21/22/74/270212274.db2.gz JASGCMMTSXTBLK-MAUKXSAKSA-N 2 2 292.442 3.324 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984638 270212275 /nfs/dbraw/zinc/21/22/75/270212275.db2.gz JASGCMMTSXTBLK-MAUKXSAKSA-N 2 2 292.442 3.324 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000531989491 270212367 /nfs/dbraw/zinc/21/23/67/270212367.db2.gz YFYMLSHBGDIEPN-JEBQAFNWSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000531989491 270212368 /nfs/dbraw/zinc/21/23/68/270212368.db2.gz YFYMLSHBGDIEPN-JEBQAFNWSA-N 2 2 270.420 3.210 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983903 270212498 /nfs/dbraw/zinc/21/24/98/270212498.db2.gz LYWFSTONNMYWBB-CVEARBPZSA-N 2 2 290.451 3.468 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983903 270212499 /nfs/dbraw/zinc/21/24/99/270212499.db2.gz LYWFSTONNMYWBB-CVEARBPZSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000532530504 270216766 /nfs/dbraw/zinc/21/67/66/270216766.db2.gz TZNJMHIPKHZVNQ-YJBOKZPZSA-N 2 2 272.436 3.386 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000532530504 270216767 /nfs/dbraw/zinc/21/67/67/270216767.db2.gz TZNJMHIPKHZVNQ-YJBOKZPZSA-N 2 2 272.436 3.386 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532532280 270217053 /nfs/dbraw/zinc/21/70/53/270217053.db2.gz XRHJTAYUXZOISQ-OAGGEKHMSA-N 2 2 290.451 3.119 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532532280 270217054 /nfs/dbraw/zinc/21/70/54/270217054.db2.gz XRHJTAYUXZOISQ-OAGGEKHMSA-N 2 2 290.451 3.119 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423243849 273685524 /nfs/dbraw/zinc/68/55/24/273685524.db2.gz KNOAVURNLPUKEP-ZWNOBZJWSA-N 2 2 297.240 3.197 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427894109 273720193 /nfs/dbraw/zinc/72/01/93/273720193.db2.gz KHPXKYJNIWFANZ-DLBZAZTESA-N 2 2 283.419 3.117 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000335953298 273816233 /nfs/dbraw/zinc/81/62/33/273816233.db2.gz JVOAGLWFQHSAJX-LBPRGKRZSA-N 2 2 287.329 3.021 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423573134 274313439 /nfs/dbraw/zinc/31/34/39/274313439.db2.gz YXAJQTRUSOSOHQ-JKIFEVAISA-N 2 2 258.409 3.357 20 0 CGADLP Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301980562 274718699 /nfs/dbraw/zinc/71/86/99/274718699.db2.gz IBCFUYLXNWKCFZ-INIZCTEOSA-N 2 2 287.382 3.434 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000280308174 274850871 /nfs/dbraw/zinc/85/08/71/274850871.db2.gz WPYNKMGGSFSHBT-INIZCTEOSA-N 2 2 299.418 3.161 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236335 274880458 /nfs/dbraw/zinc/88/04/58/274880458.db2.gz ODNHDIAXDWCKIQ-YGRLFVJLSA-N 2 2 285.218 3.322 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc21 ZINC000252793764 274960185 /nfs/dbraw/zinc/96/01/85/274960185.db2.gz XTAQMBPCCADUMH-IXDOHACOSA-N 2 2 280.371 3.245 20 0 CGADLP c1ccc([C@H]2C[C@H]2C[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000348266391 275068772 /nfs/dbraw/zinc/06/87/72/275068772.db2.gz YGSGGJLUCGPYDK-ZWKOTPCHSA-N 2 2 272.436 3.256 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565812 275068991 /nfs/dbraw/zinc/06/89/91/275068991.db2.gz LOVFVGHYQOITCW-CXAGYDPISA-N 2 2 296.418 3.016 20 0 CGADLP c1ccc2[nH+]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)[nH]c2c1 ZINC000270565812 275068992 /nfs/dbraw/zinc/06/89/92/275068992.db2.gz LOVFVGHYQOITCW-CXAGYDPISA-N 2 2 296.418 3.016 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000368584929 276004972 /nfs/dbraw/zinc/00/49/72/276004972.db2.gz OVBOCACRSTWLBS-SJCJKPOMSA-N 2 2 292.398 3.112 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000353970679 276009194 /nfs/dbraw/zinc/00/91/94/276009194.db2.gz GEUONIGYQRIHDU-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000353970679 276009195 /nfs/dbraw/zinc/00/91/95/276009195.db2.gz GEUONIGYQRIHDU-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccn1 ZINC000351410894 276124097 /nfs/dbraw/zinc/12/40/97/276124097.db2.gz KIPRLCWKQVZTQC-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccn1 ZINC000351410894 276124099 /nfs/dbraw/zinc/12/40/99/276124099.db2.gz KIPRLCWKQVZTQC-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789776 276161307 /nfs/dbraw/zinc/16/13/07/276161307.db2.gz KSSGDMXRLXKIEQ-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789776 276161308 /nfs/dbraw/zinc/16/13/08/276161308.db2.gz KSSGDMXRLXKIEQ-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344025002 276167879 /nfs/dbraw/zinc/16/78/79/276167879.db2.gz RKDLLTKVCAOEMV-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344025002 276167880 /nfs/dbraw/zinc/16/78/80/276167880.db2.gz RKDLLTKVCAOEMV-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019960405 276174445 /nfs/dbraw/zinc/17/44/45/276174445.db2.gz SVYLKMCSCRCSAV-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019960405 276174446 /nfs/dbraw/zinc/17/44/46/276174446.db2.gz SVYLKMCSCRCSAV-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019960770 276187321 /nfs/dbraw/zinc/18/73/21/276187321.db2.gz YMOBZXLPPVDXAC-RDJZCZTQSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019960770 276187323 /nfs/dbraw/zinc/18/73/23/276187323.db2.gz YMOBZXLPPVDXAC-RDJZCZTQSA-N 2 2 260.425 3.438 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423393572 276270948 /nfs/dbraw/zinc/27/09/48/276270948.db2.gz YVBCKFJNZMIWLP-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCCF)[C@@H]1c1ccccc1 ZINC000289338765 277138106 /nfs/dbraw/zinc/13/81/06/277138106.db2.gz FPCFLIQBCNCBII-CVEARBPZSA-N 2 2 264.388 3.161 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCCCCF)[C@@H]1c1ccccc1 ZINC000289338765 277138107 /nfs/dbraw/zinc/13/81/07/277138107.db2.gz FPCFLIQBCNCBII-CVEARBPZSA-N 2 2 264.388 3.161 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100480 277156264 /nfs/dbraw/zinc/15/62/64/277156264.db2.gz WPSVEUCZMKXQAG-WCQYABFASA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000277100480 277156266 /nfs/dbraw/zinc/15/62/66/277156266.db2.gz WPSVEUCZMKXQAG-WCQYABFASA-N 2 2 299.340 3.021 20 0 CGADLP COC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCCC1 ZINC000275906842 277248280 /nfs/dbraw/zinc/24/82/80/277248280.db2.gz TXRCUDVZVWSMBE-QGZVFWFLSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000290627110 277422930 /nfs/dbraw/zinc/42/29/30/277422930.db2.gz XQSKVDGHPVFSIO-SJORKVTESA-N 2 2 269.392 3.357 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000178137780 277499761 /nfs/dbraw/zinc/49/97/61/277499761.db2.gz NDVPAEDMTRYRCT-WBVHZDCISA-N 2 2 278.440 3.002 20 0 CGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000285467654 278060392 /nfs/dbraw/zinc/06/03/92/278060392.db2.gz NLZZNQDXMKZFHR-WBVHZDCISA-N 2 2 299.418 3.365 20 0 CGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000285467654 278060396 /nfs/dbraw/zinc/06/03/96/278060396.db2.gz NLZZNQDXMKZFHR-WBVHZDCISA-N 2 2 299.418 3.365 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000453394318 278220146 /nfs/dbraw/zinc/22/01/46/278220146.db2.gz IULQBSNSWRHBBC-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000453394318 278220148 /nfs/dbraw/zinc/22/01/48/278220148.db2.gz IULQBSNSWRHBBC-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237659 278372681 /nfs/dbraw/zinc/37/26/81/278372681.db2.gz TXFJQKZETLQFCA-DGCLKSJQSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237659 278372684 /nfs/dbraw/zinc/37/26/84/278372684.db2.gz TXFJQKZETLQFCA-DGCLKSJQSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c[nH+]ccc1N ZINC000423166035 278377571 /nfs/dbraw/zinc/37/75/71/278377571.db2.gz ZAIUXGASRJCYJU-XHBSWPGZSA-N 2 2 283.375 3.057 20 0 CGADLP C[C@@H]1CCN(c2cc[nH+]cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000247431224 278558636 /nfs/dbraw/zinc/55/86/36/278558636.db2.gz IISJNUOPOWVIDC-BXUZGUMPSA-N 2 2 276.771 3.019 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC(F)(F)CC1 ZINC000459383886 288086709 /nfs/dbraw/zinc/08/67/09/288086709.db2.gz GEMRFCDEWFOOJZ-UHFFFAOYSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC(F)(F)CC1 ZINC000459383886 288086712 /nfs/dbraw/zinc/08/67/12/288086712.db2.gz GEMRFCDEWFOOJZ-UHFFFAOYSA-N 2 2 271.355 3.031 20 0 CGADLP Cc1sc(C[NH2+]C2CC[NH+](C3CC3)CC2)nc1C(C)C ZINC000459394894 288087954 /nfs/dbraw/zinc/08/79/54/288087954.db2.gz ABOGQFRQFBKSFU-UHFFFAOYSA-N 2 2 293.480 3.291 20 0 CGADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C(C)(C)C)cs1 ZINC000459411754 288091170 /nfs/dbraw/zinc/09/11/70/288091170.db2.gz UPXGKURJOSHLRP-NSHDSACASA-N 2 2 292.452 3.067 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000494696531 288091462 /nfs/dbraw/zinc/09/14/62/288091462.db2.gz JABOWXDQVPCGIN-COXVUDFISA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000494696531 288091466 /nfs/dbraw/zinc/09/14/66/288091466.db2.gz JABOWXDQVPCGIN-COXVUDFISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459514943 288095567 /nfs/dbraw/zinc/09/55/67/288095567.db2.gz DAACQUXCXTUJGD-UONOGXRCSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459514943 288095570 /nfs/dbraw/zinc/09/55/70/288095570.db2.gz DAACQUXCXTUJGD-UONOGXRCSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000359655278 279254161 /nfs/dbraw/zinc/25/41/61/279254161.db2.gz XWYMZPQBNLLPME-IJLUTSLNSA-N 2 2 278.362 3.322 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000359655278 279254162 /nfs/dbraw/zinc/25/41/62/279254162.db2.gz XWYMZPQBNLLPME-IJLUTSLNSA-N 2 2 278.362 3.322 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336274 279271094 /nfs/dbraw/zinc/27/10/94/279271094.db2.gz PWWSNBJXNGQHBY-VXGBXAGGSA-N 2 2 291.420 3.071 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000474818519 279351443 /nfs/dbraw/zinc/35/14/43/279351443.db2.gz MGTWRRJDKSOXCL-IXDOHACOSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)s1 ZINC000335684607 279550439 /nfs/dbraw/zinc/55/04/39/279550439.db2.gz VSWHEYLKCMLAIB-UWVGGRQHSA-N 2 2 281.812 3.264 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000356996045 279678839 /nfs/dbraw/zinc/67/88/39/279678839.db2.gz HDRLFEQTNIANTF-UONOGXRCSA-N 2 2 261.413 3.415 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527656781 288183313 /nfs/dbraw/zinc/18/33/13/288183313.db2.gz KOUHPTJGSMXGAZ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527656781 288183314 /nfs/dbraw/zinc/18/33/14/288183314.db2.gz KOUHPTJGSMXGAZ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000527668230 288186517 /nfs/dbraw/zinc/18/65/17/288186517.db2.gz UWHWDLWJCFXJFB-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000527668230 288186520 /nfs/dbraw/zinc/18/65/20/288186520.db2.gz UWHWDLWJCFXJFB-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000453366846 280007683 /nfs/dbraw/zinc/00/76/83/280007683.db2.gz SZYPSOLBVSBMGB-BBRMVZONSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000453366846 280007686 /nfs/dbraw/zinc/00/76/86/280007686.db2.gz SZYPSOLBVSBMGB-BBRMVZONSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CC12CC2 ZINC000527851722 288197442 /nfs/dbraw/zinc/19/74/42/288197442.db2.gz LTTAHLVUZNYADB-QWHCGFSZSA-N 2 2 269.392 3.274 20 0 CGADLP CC[C@@H](C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000290544504 280094790 /nfs/dbraw/zinc/09/47/90/280094790.db2.gz RLFNQEARYOPXMS-CQSZACIVSA-N 2 2 264.413 3.222 20 0 CGADLP CC[C@@H](C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000290544504 280094794 /nfs/dbraw/zinc/09/47/94/280094794.db2.gz RLFNQEARYOPXMS-CQSZACIVSA-N 2 2 264.413 3.222 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423363163 281027627 /nfs/dbraw/zinc/02/76/27/281027627.db2.gz NOLZGWNKXMCUJE-BVGQSLNGSA-N 2 2 297.446 3.441 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423372571 281116284 /nfs/dbraw/zinc/11/62/84/281116284.db2.gz RCYNMCCPHDHTGQ-RCBQFDQVSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CCC2 ZINC000344506978 281547700 /nfs/dbraw/zinc/54/77/00/281547700.db2.gz BQZSDLTZKSWJFR-HUUCEWRRSA-N 2 2 259.397 3.015 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000344532830 281549417 /nfs/dbraw/zinc/54/94/17/281549417.db2.gz GLBRHTCEZTYTPP-CLWVCHIJSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531728819 288344355 /nfs/dbraw/zinc/34/43/55/288344355.db2.gz MRHXWPMTSJTAED-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531728819 288344357 /nfs/dbraw/zinc/34/43/57/288344357.db2.gz MRHXWPMTSJTAED-GJZGRUSLSA-N 2 2 278.415 3.078 20 0 CGADLP c1cn(CCCC[NH2+][C@@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000532195027 288354455 /nfs/dbraw/zinc/35/44/55/288354455.db2.gz LMEXWQPTYWSENH-SFHVURJKSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455419 288362025 /nfs/dbraw/zinc/36/20/25/288362025.db2.gz KCRRTZHMSKSBPX-AGERRDQYSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000532455419 288362027 /nfs/dbraw/zinc/36/20/27/288362027.db2.gz KCRRTZHMSKSBPX-AGERRDQYSA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCOCC1 ZINC000532497456 288365528 /nfs/dbraw/zinc/36/55/28/288365528.db2.gz ZJAZHSLPEWSVOS-MRXNPFEDSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000532540717 288366258 /nfs/dbraw/zinc/36/62/58/288366258.db2.gz VONSLIPIYBEVKI-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000532540717 288366261 /nfs/dbraw/zinc/36/62/61/288366261.db2.gz VONSLIPIYBEVKI-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000538759465 288588132 /nfs/dbraw/zinc/58/81/32/288588132.db2.gz BIBAWQOKVWNLPF-DOMZBBRYSA-N 2 2 281.359 3.341 20 0 CGADLP CCCCO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000540597595 288663380 /nfs/dbraw/zinc/66/33/80/288663380.db2.gz UZSVTWUDRCKVNN-HOTGVXAUSA-N 2 2 293.455 3.237 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1cscn1)[NH+]1CCCCC1 ZINC000542487546 288754835 /nfs/dbraw/zinc/75/48/35/288754835.db2.gz LVWKMFAMLJWQNO-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549529298 289045829 /nfs/dbraw/zinc/04/58/29/289045829.db2.gz MNCXUQIDXAIAJZ-FSDCSDTHSA-N 2 2 269.392 3.053 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@@H+]1C ZINC000421344337 289059611 /nfs/dbraw/zinc/05/96/11/289059611.db2.gz PJUSJYPZMOBTAL-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@H+]1C ZINC000421344337 289059614 /nfs/dbraw/zinc/05/96/14/289059614.db2.gz PJUSJYPZMOBTAL-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cn2ccccc2n1 ZINC000550898579 289090377 /nfs/dbraw/zinc/09/03/77/289090377.db2.gz GXXKKCKPSQNYDY-FHERZECASA-N 2 2 298.434 3.002 20 0 CGADLP CCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)on1 ZINC000551052212 289096988 /nfs/dbraw/zinc/09/69/88/289096988.db2.gz WZZFKBKUAYGHHB-WMZOPIPTSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)on1 ZINC000551052212 289096991 /nfs/dbraw/zinc/09/69/91/289096991.db2.gz WZZFKBKUAYGHHB-WMZOPIPTSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241020 289104241 /nfs/dbraw/zinc/10/42/41/289104241.db2.gz GAPNBDSIEABRLW-FZDIXFNVSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000551241020 289104242 /nfs/dbraw/zinc/10/42/42/289104242.db2.gz GAPNBDSIEABRLW-FZDIXFNVSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587755 289124692 /nfs/dbraw/zinc/12/46/92/289124692.db2.gz JPAVVQRBSIEUSF-WCQYABFASA-N 2 2 286.872 3.264 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551587755 289124693 /nfs/dbraw/zinc/12/46/93/289124693.db2.gz JPAVVQRBSIEUSF-WCQYABFASA-N 2 2 286.872 3.264 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551818683 289135967 /nfs/dbraw/zinc/13/59/67/289135967.db2.gz QVQUJYBCBWJTFE-SGTLLEGYSA-N 2 2 299.393 3.382 20 0 CGADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[NH+](C)C)cc1F ZINC000554090804 289257755 /nfs/dbraw/zinc/25/77/55/289257755.db2.gz ZAJRCLZMXRGGLS-GDBMZVCRSA-N 2 2 294.414 3.012 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000556860202 289414236 /nfs/dbraw/zinc/41/42/36/289414236.db2.gz XDXPGZPVEOXJHM-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000558254302 289482284 /nfs/dbraw/zinc/48/22/84/289482284.db2.gz AYCIJSJBTCCIQR-KJPDOMRESA-N 2 2 290.451 3.114 20 0 CGADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000562281541 289688266 /nfs/dbraw/zinc/68/82/66/289688266.db2.gz YRBVOUWFIDSSHD-MRXNPFEDSA-N 2 2 285.391 3.036 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000562564387 289715625 /nfs/dbraw/zinc/71/56/25/289715625.db2.gz GCRRTPXZNRQISQ-UONOGXRCSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423142880 290050062 /nfs/dbraw/zinc/05/00/62/290050062.db2.gz BNSQNEOIUMRINU-HNHYXYPQSA-N 2 2 280.362 3.072 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)CCC2 ZINC000337993778 292854821 /nfs/dbraw/zinc/85/48/21/292854821.db2.gz TWKJJWOVGKZDAQ-JYJNAYRXSA-N 2 2 273.424 3.237 20 0 CGADLP COC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000443204346 293165716 /nfs/dbraw/zinc/16/57/16/293165716.db2.gz PCLZJPUHOAJAFJ-BPQIPLTHSA-N 2 2 292.467 3.247 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184343 301288537 /nfs/dbraw/zinc/28/85/37/301288537.db2.gz IJKNWRWXJCDAKD-ZFWWWQNUSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009057 301420901 /nfs/dbraw/zinc/42/09/01/301420901.db2.gz BVEIACVPGPDJST-AFAVFJNCSA-N 2 2 276.399 3.315 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000422703420 302199830 /nfs/dbraw/zinc/19/98/30/302199830.db2.gz HQXRKANOPOWDPR-JFIYKMOQSA-N 2 2 290.451 3.049 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000285604279 302282076 /nfs/dbraw/zinc/28/20/76/302282076.db2.gz JWUCOXZPXYWQRU-HNNXBMFYSA-N 2 2 275.440 3.161 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000156195991 321776656 /nfs/dbraw/zinc/77/66/56/321776656.db2.gz JJFMVSYYMXHPOC-IRXDYDNUSA-N 2 2 278.440 3.084 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)c[nH+]1 ZINC000563442978 321998693 /nfs/dbraw/zinc/99/86/93/321998693.db2.gz PFCOQDGSBJABFB-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])o1 ZINC000563804417 322010850 /nfs/dbraw/zinc/01/08/50/322010850.db2.gz FBHHFLVNQKHMJA-BEAPCOKYSA-N 2 2 262.397 3.153 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000564312955 322026313 /nfs/dbraw/zinc/02/63/13/322026313.db2.gz MDCLRUUARKUURY-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000564312955 322026314 /nfs/dbraw/zinc/02/63/14/322026314.db2.gz MDCLRUUARKUURY-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000564741093 322041445 /nfs/dbraw/zinc/04/14/45/322041445.db2.gz GFWKNBJVNHOWIB-JONQDZQNSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000564741093 322041446 /nfs/dbraw/zinc/04/14/46/322041446.db2.gz GFWKNBJVNHOWIB-JONQDZQNSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000564827829 322045542 /nfs/dbraw/zinc/04/55/42/322045542.db2.gz PMNXHZRMOSLULN-RDTXWAMCSA-N 2 2 284.403 3.077 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(Sc3ccccc3)CC2)n1C ZINC000565238249 322068635 /nfs/dbraw/zinc/06/86/35/322068635.db2.gz OMUVRKRMJQLPFU-UHFFFAOYSA-N 2 2 287.432 3.143 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000565354785 322074566 /nfs/dbraw/zinc/07/45/66/322074566.db2.gz JNTKVXKGUURAQR-WKILWMFISA-N 2 2 287.451 3.214 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](CCc1nccs1)C(C)C ZINC000566170343 322108133 /nfs/dbraw/zinc/10/81/33/322108133.db2.gz NULDTCVJBDHXIR-UHFFFAOYSA-N 2 2 289.448 3.342 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](CCc1nccs1)C(C)C ZINC000566170343 322108134 /nfs/dbraw/zinc/10/81/34/322108134.db2.gz NULDTCVJBDHXIR-UHFFFAOYSA-N 2 2 289.448 3.342 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000566171007 322108375 /nfs/dbraw/zinc/10/83/75/322108375.db2.gz XTQZYNNGSDPXGX-KSSFIOAISA-N 2 2 290.451 3.099 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000566171000 322108472 /nfs/dbraw/zinc/10/84/72/322108472.db2.gz XTQZYNNGSDPXGX-KBXCAEBGSA-N 2 2 290.451 3.099 20 0 CGADLP COc1ccc([C@H](C)CC[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000566690357 322134869 /nfs/dbraw/zinc/13/48/69/322134869.db2.gz NVSMEBSZMPNWKG-CYBMUJFWSA-N 2 2 287.407 3.021 20 0 CGADLP Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c(C)[nH+]1 ZINC000568528993 322213340 /nfs/dbraw/zinc/21/33/40/322213340.db2.gz WAAFEPKYSXDPSG-UHFFFAOYSA-N 2 2 297.402 3.055 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1nc(C2CC2)cs1)C1CCCCC1 ZINC000569096395 322234647 /nfs/dbraw/zinc/23/46/47/322234647.db2.gz YJVCJIVKVWLKGI-ZDUSSCGKSA-N 2 2 279.453 3.018 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000569914319 322260287 /nfs/dbraw/zinc/26/02/87/322260287.db2.gz BSMLXNXTPDORBH-KBXCAEBGSA-N 2 2 287.451 3.081 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000569914319 322260289 /nfs/dbraw/zinc/26/02/89/322260289.db2.gz BSMLXNXTPDORBH-KBXCAEBGSA-N 2 2 287.451 3.081 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000570275737 322269672 /nfs/dbraw/zinc/26/96/72/322269672.db2.gz LXUNLMBRRQIPAF-YJBOKZPZSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000571058433 322288726 /nfs/dbraw/zinc/28/87/26/322288726.db2.gz WAZBZLMTWTWVCD-NHYWBVRUSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000571058433 322288728 /nfs/dbraw/zinc/28/87/28/322288728.db2.gz WAZBZLMTWTWVCD-NHYWBVRUSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCc3cc(N)ccc32)c[nH+]1 ZINC000572135899 322322038 /nfs/dbraw/zinc/32/20/38/322322038.db2.gz PFEKGZSNRBIZIU-SFHVURJKSA-N 2 2 281.403 3.182 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC1CCC([NH+](C)C)CC1 ZINC000572232468 322326566 /nfs/dbraw/zinc/32/65/66/322326566.db2.gz GBVRJMYEWCKWJF-UHFFFAOYSA-N 2 2 283.419 3.250 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278798 322329377 /nfs/dbraw/zinc/32/93/77/322329377.db2.gz CNKCVCVBPZVUDG-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278798 322329381 /nfs/dbraw/zinc/32/93/81/322329381.db2.gz CNKCVCVBPZVUDG-DZGCQCFKSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062976 322368175 /nfs/dbraw/zinc/36/81/75/322368175.db2.gz YYGVIIQMOUOHTE-YOEHRIQHSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062976 322368176 /nfs/dbraw/zinc/36/81/76/322368176.db2.gz YYGVIIQMOUOHTE-YOEHRIQHSA-N 2 2 287.451 3.070 20 0 CGADLP COCC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(C)o1 ZINC000583931903 326800612 /nfs/dbraw/zinc/80/06/12/326800612.db2.gz KYWPDIONIUQVPY-INIZCTEOSA-N 2 2 288.391 3.201 20 0 CGADLP F[C@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000582725035 329131124 /nfs/dbraw/zinc/13/11/24/329131124.db2.gz LRJMMQCJWCQADY-RYUDHWBXSA-N 2 2 279.384 3.304 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n1C ZINC000584540891 329519754 /nfs/dbraw/zinc/51/97/54/329519754.db2.gz ONPOYXPONFOFCU-SJLPKXTDSA-N 2 2 283.419 3.230 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(F)cc1F ZINC000576194009 335167535 /nfs/dbraw/zinc/16/75/35/335167535.db2.gz OTGRFPQXNGQMAI-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580618501 335303009 /nfs/dbraw/zinc/30/30/09/335303009.db2.gz XRDNGPVUXONVNU-FZMWSMFESA-N 2 2 290.451 3.223 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000577125209 335305019 /nfs/dbraw/zinc/30/50/19/335305019.db2.gz OALLSULWXGVNAA-QWHCGFSZSA-N 2 2 261.413 3.216 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000577125209 335305020 /nfs/dbraw/zinc/30/50/20/335305020.db2.gz OALLSULWXGVNAA-QWHCGFSZSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000577173150 335315450 /nfs/dbraw/zinc/31/54/50/335315450.db2.gz ABHCCCYSJOSXQW-YXJHDRRASA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000577634812 335383787 /nfs/dbraw/zinc/38/37/87/335383787.db2.gz ZSTBAVIVOOLGIW-DKSSEZFCSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000577634812 335383788 /nfs/dbraw/zinc/38/37/88/335383788.db2.gz ZSTBAVIVOOLGIW-DKSSEZFCSA-N 2 2 284.447 3.395 20 0 CGADLP Cc1[nH+]c2cc(NCc3c[nH+]cn3C(C)C)ccc2n1C ZINC000577720567 335391998 /nfs/dbraw/zinc/39/19/98/335391998.db2.gz GKRMFPMLJBYHSO-UHFFFAOYSA-N 2 2 283.379 3.271 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)n1C ZINC000577748422 335396725 /nfs/dbraw/zinc/39/67/25/335396725.db2.gz XZNAADFSEXOSOF-OLZOCXBDSA-N 2 2 263.429 3.423 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCSCc2ccc(C)cc2)n1C ZINC000578883776 335685200 /nfs/dbraw/zinc/68/52/00/335685200.db2.gz FGQNLRCIQISPLY-UHFFFAOYSA-N 2 2 289.448 3.060 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990487 336042217 /nfs/dbraw/zinc/04/22/17/336042217.db2.gz JVOLRKQSWVQAFH-APWZRJJASA-N 2 2 295.430 3.102 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000194990487 336042219 /nfs/dbraw/zinc/04/22/19/336042219.db2.gz JVOLRKQSWVQAFH-APWZRJJASA-N 2 2 295.430 3.102 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386925817 336182562 /nfs/dbraw/zinc/18/25/62/336182562.db2.gz SGAUIXBGQAVAQR-HOTGVXAUSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386925817 336182563 /nfs/dbraw/zinc/18/25/63/336182563.db2.gz SGAUIXBGQAVAQR-HOTGVXAUSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)CCC2 ZINC000348104938 500992054 /nfs/dbraw/zinc/99/20/54/500992054.db2.gz FJCSLFVPNCDLAN-SOUVJXGZSA-N 2 2 275.440 3.483 20 0 CGADLP CSCc1cc(F)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422849287 533836920 /nfs/dbraw/zinc/83/69/20/533836920.db2.gz BURBMMNSTTXXAM-BLLLJJGKSA-N 2 2 296.455 3.309 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCOC1 ZINC000423409363 533996144 /nfs/dbraw/zinc/99/61/44/533996144.db2.gz YUXVIYZMYRVOPT-GDIGMMSISA-N 2 2 298.430 3.244 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000365060906 534159852 /nfs/dbraw/zinc/15/98/52/534159852.db2.gz HOFHMAIUTHGNFJ-VSZNYVQBSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000365060906 534159860 /nfs/dbraw/zinc/15/98/60/534159860.db2.gz HOFHMAIUTHGNFJ-VSZNYVQBSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000449399792 534440080 /nfs/dbraw/zinc/44/00/80/534440080.db2.gz DKOPRFLIMWSCDP-DDBAPUKQSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000449399792 534440086 /nfs/dbraw/zinc/44/00/86/534440086.db2.gz DKOPRFLIMWSCDP-DDBAPUKQSA-N 2 2 272.436 3.110 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc2c1 ZINC000423263337 534474760 /nfs/dbraw/zinc/47/47/60/534474760.db2.gz AYAQWDZYWRYEOP-JSGCOSHPSA-N 2 2 260.381 3.375 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000149831977 520409491 /nfs/dbraw/zinc/40/94/91/520409491.db2.gz AWLQDXIIIZEDQP-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000149831977 520409499 /nfs/dbraw/zinc/40/94/99/520409499.db2.gz AWLQDXIIIZEDQP-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC2(C)CC2)n1-c1ccccc1 ZINC000355121928 534741115 /nfs/dbraw/zinc/74/11/15/534741115.db2.gz LTMGEYRAIWQWCD-UHFFFAOYSA-N 2 2 269.392 3.461 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000163220904 524133954 /nfs/dbraw/zinc/13/39/54/524133954.db2.gz IGSQQZSKKZDFDC-SNVBAGLBSA-N 2 2 254.340 3.037 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000063194583 525008348 /nfs/dbraw/zinc/00/83/48/525008348.db2.gz MLPVFINVCHCDEB-DOMZBBRYSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000063194583 525008359 /nfs/dbraw/zinc/00/83/59/525008359.db2.gz MLPVFINVCHCDEB-DOMZBBRYSA-N 2 2 282.428 3.120 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423548601 534878874 /nfs/dbraw/zinc/87/88/74/534878874.db2.gz GWLFDJVJBBAWIO-DGCLKSJQSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCF ZINC000411555701 526696638 /nfs/dbraw/zinc/69/66/38/526696638.db2.gz WOXBFDQQQMGLIJ-INIZCTEOSA-N 2 2 278.415 3.019 20 0 CGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCF ZINC000411555701 526696643 /nfs/dbraw/zinc/69/66/43/526696643.db2.gz WOXBFDQQQMGLIJ-INIZCTEOSA-N 2 2 278.415 3.019 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368226085 526779396 /nfs/dbraw/zinc/77/93/96/526779396.db2.gz MONXSOYSYSGVMW-NSHDSACASA-N 2 2 289.448 3.416 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368226085 526779398 /nfs/dbraw/zinc/77/93/98/526779398.db2.gz MONXSOYSYSGVMW-NSHDSACASA-N 2 2 289.448 3.416 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155641887 526968247 /nfs/dbraw/zinc/96/82/47/526968247.db2.gz KBVNKHJMGKUFQX-CQSZACIVSA-N 2 2 291.782 3.040 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000041027550 527400504 /nfs/dbraw/zinc/40/05/04/527400504.db2.gz FFNWIXUVLHPYKU-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000041027550 527400510 /nfs/dbraw/zinc/40/05/10/527400510.db2.gz FFNWIXUVLHPYKU-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP CC(C)=CCC[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423236668 527428291 /nfs/dbraw/zinc/42/82/91/527428291.db2.gz SBYIRTWZARKBIB-HNNXBMFYSA-N 2 2 288.439 3.038 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028343 527756129 /nfs/dbraw/zinc/75/61/29/527756129.db2.gz LMAITTBQGDRAOP-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028343 527756135 /nfs/dbraw/zinc/75/61/35/527756135.db2.gz LMAITTBQGDRAOP-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028343 527756142 /nfs/dbraw/zinc/75/61/42/527756142.db2.gz LMAITTBQGDRAOP-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2OC)C[C@@H]1C ZINC000449028343 527756147 /nfs/dbraw/zinc/75/61/47/527756147.db2.gz LMAITTBQGDRAOP-DOTOQJQBSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868095 527810097 /nfs/dbraw/zinc/81/00/97/527810097.db2.gz QETSSNKIAUSUMJ-QKPAOTATSA-N 2 2 275.440 3.248 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093176 527815450 /nfs/dbraw/zinc/81/54/50/527815450.db2.gz WIDOOPKKZLLMAW-ZWNOBZJWSA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449093176 527815454 /nfs/dbraw/zinc/81/54/54/527815454.db2.gz WIDOOPKKZLLMAW-ZWNOBZJWSA-N 2 2 298.352 3.023 20 0 CGADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000440641605 527973467 /nfs/dbraw/zinc/97/34/67/527973467.db2.gz OXIQELXHVXMPTP-KBPBESRZSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@@H]1C ZINC000440641605 527973469 /nfs/dbraw/zinc/97/34/69/527973469.db2.gz OXIQELXHVXMPTP-KBPBESRZSA-N 2 2 299.418 3.162 20 0 CGADLP CCCN(CC[NH+](CC)CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000359255089 528078704 /nfs/dbraw/zinc/07/87/04/528078704.db2.gz QTYPRRNERSBTDL-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000359000697 528107826 /nfs/dbraw/zinc/10/78/26/528107826.db2.gz KMJJUEZCQVVXTI-JKSUJKDBSA-N 2 2 273.424 3.466 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428237701 528185148 /nfs/dbraw/zinc/18/51/48/528185148.db2.gz BRVUCNBAWOITRL-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428237701 528185154 /nfs/dbraw/zinc/18/51/54/528185154.db2.gz BRVUCNBAWOITRL-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)C1CCCC1 ZINC000449219470 528238717 /nfs/dbraw/zinc/23/87/17/528238717.db2.gz APHGFWXPGWRDLF-WBVHZDCISA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423243819 528334665 /nfs/dbraw/zinc/33/46/65/528334665.db2.gz KLSLMVDSDHYBPN-GFCCVEGCSA-N 2 2 289.448 3.379 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423393507 528422419 /nfs/dbraw/zinc/42/24/19/528422419.db2.gz YNGOEHUODGDGJR-NEPJUHHUSA-N 2 2 252.427 3.057 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423382863 528422663 /nfs/dbraw/zinc/42/26/63/528422663.db2.gz OTPQRLJMCUCELL-MLGOLLRUSA-N 2 2 264.388 3.173 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423284134 528473779 /nfs/dbraw/zinc/47/37/79/528473779.db2.gz XWMDYXLTEPNJLW-BXUZGUMPSA-N 2 2 284.831 3.373 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414796468 528531086 /nfs/dbraw/zinc/53/10/86/528531086.db2.gz NZVVVTKNKGYICS-LBPRGKRZSA-N 2 2 261.196 3.066 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000426414943 528665650 /nfs/dbraw/zinc/66/56/50/528665650.db2.gz XTBSOOJUZFPJNU-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000426414943 528665655 /nfs/dbraw/zinc/66/56/55/528665655.db2.gz XTBSOOJUZFPJNU-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000426414943 528665660 /nfs/dbraw/zinc/66/56/60/528665660.db2.gz XTBSOOJUZFPJNU-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000426414943 528665667 /nfs/dbraw/zinc/66/56/67/528665667.db2.gz XTBSOOJUZFPJNU-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423294066 528955820 /nfs/dbraw/zinc/95/58/20/528955820.db2.gz BDOQMRHYOVYZJY-UKRRQHHQSA-N 2 2 262.397 3.007 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423293571 528956639 /nfs/dbraw/zinc/95/66/39/528956639.db2.gz AFBRIIHKOASFPK-HUUCEWRRSA-N 2 2 286.423 3.040 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2SC)CC1 ZINC000358055683 528973212 /nfs/dbraw/zinc/97/32/12/528973212.db2.gz ZWROGPWKJWXNQP-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2SC)CC1 ZINC000358055683 528973216 /nfs/dbraw/zinc/97/32/16/528973216.db2.gz ZWROGPWKJWXNQP-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2F)CC1 ZINC000437587732 528974301 /nfs/dbraw/zinc/97/43/01/528974301.db2.gz HESUSNDNOIVLKU-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2F)CC1 ZINC000437587732 528974305 /nfs/dbraw/zinc/97/43/05/528974305.db2.gz HESUSNDNOIVLKU-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000427702720 529035202 /nfs/dbraw/zinc/03/52/02/529035202.db2.gz BRZRBOMIAWAXOY-YJBOKZPZSA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000427702720 529035205 /nfs/dbraw/zinc/03/52/05/529035205.db2.gz BRZRBOMIAWAXOY-YJBOKZPZSA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Br ZINC000423264739 529072275 /nfs/dbraw/zinc/07/22/75/529072275.db2.gz QHUUPSZYNLZXOQ-ZWNOBZJWSA-N 2 2 285.229 3.083 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423230229 529122340 /nfs/dbraw/zinc/12/23/40/529122340.db2.gz DBFHNFLAUCKAHJ-DOMZBBRYSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423238300 529178636 /nfs/dbraw/zinc/17/86/36/529178636.db2.gz JASAMSDLMVUKNU-ZWKOTPCHSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(C)ccc1OC ZINC000423548534 529202716 /nfs/dbraw/zinc/20/27/16/529202716.db2.gz GRLNGWBSCOWNNV-GDBMZVCRSA-N 2 2 276.424 3.186 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423359476 529248318 /nfs/dbraw/zinc/24/83/18/529248318.db2.gz KPLOQMLISTVXSM-DVOMOZLQSA-N 2 2 278.465 3.447 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000491054583 535040775 /nfs/dbraw/zinc/04/07/75/535040775.db2.gz QRNYVICWPYGCCB-ZBFHGGJFSA-N 2 2 280.481 3.343 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494393799 535820986 /nfs/dbraw/zinc/82/09/86/535820986.db2.gz SVPODKRMJVZKGC-RBSFLKMASA-N 2 2 261.413 3.004 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462687134 535822062 /nfs/dbraw/zinc/82/20/62/535822062.db2.gz RPNFDJUXBZAXLV-XHSDSOJGSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000462687134 535822063 /nfs/dbraw/zinc/82/20/63/535822063.db2.gz RPNFDJUXBZAXLV-XHSDSOJGSA-N 2 2 252.446 3.419 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)o1 ZINC000093693275 536179117 /nfs/dbraw/zinc/17/91/17/536179117.db2.gz IOGAGQKLDZSOON-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)o1 ZINC000093693275 536179119 /nfs/dbraw/zinc/17/91/19/536179119.db2.gz IOGAGQKLDZSOON-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000124359160 536362512 /nfs/dbraw/zinc/36/25/12/536362512.db2.gz JAVZSIYZNMIONY-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC000124359160 536362514 /nfs/dbraw/zinc/36/25/14/536362514.db2.gz JAVZSIYZNMIONY-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000045094436 572356479 /nfs/dbraw/zinc/35/64/79/572356479.db2.gz ZUTFSXMRROBPEO-ZDUSSCGKSA-N 2 2 263.410 3.384 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000740006981 572428538 /nfs/dbraw/zinc/42/85/38/572428538.db2.gz PUVYEXMFWPAAOT-CQSZACIVSA-N 2 2 272.392 3.499 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000394561672 572469267 /nfs/dbraw/zinc/46/92/67/572469267.db2.gz LFIIYCSSDCQUNY-YJBOKZPZSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000394561672 572469268 /nfs/dbraw/zinc/46/92/68/572469268.db2.gz LFIIYCSSDCQUNY-YJBOKZPZSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000398071680 572496024 /nfs/dbraw/zinc/49/60/24/572496024.db2.gz DSXHYIOLSLXWHL-VQIMIIECSA-N 2 2 295.430 3.082 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000398071680 572496031 /nfs/dbraw/zinc/49/60/31/572496031.db2.gz DSXHYIOLSLXWHL-VQIMIIECSA-N 2 2 295.430 3.082 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101608 618529909 /nfs/dbraw/zinc/52/99/09/618529909.db2.gz AMAYLHZBDSGGPL-DOMZBBRYSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101608 618529919 /nfs/dbraw/zinc/52/99/19/618529919.db2.gz AMAYLHZBDSGGPL-DOMZBBRYSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101608 618529927 /nfs/dbraw/zinc/52/99/27/618529927.db2.gz AMAYLHZBDSGGPL-DOMZBBRYSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)cc(Cl)c2)C[C@H]1C ZINC000892101608 618529938 /nfs/dbraw/zinc/52/99/38/618529938.db2.gz AMAYLHZBDSGGPL-DOMZBBRYSA-N 2 2 296.842 3.350 20 0 CGADLP COC1CCC(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000892648546 618887031 /nfs/dbraw/zinc/88/70/31/618887031.db2.gz DYRCMARONFNPLG-UYSNPLJNSA-N 2 2 293.455 3.093 20 0 CGADLP C[N@H+](CCC[NH2+][C@@H]1CCc2cccnc21)Cc1ccccc1 ZINC000309803828 618960028 /nfs/dbraw/zinc/96/00/28/618960028.db2.gz YXUSQJUCMDATLZ-GOSISDBHSA-N 2 2 295.430 3.181 20 0 CGADLP C[N@@H+](CCC[NH2+][C@@H]1CCc2cccnc21)Cc1ccccc1 ZINC000309803828 618960029 /nfs/dbraw/zinc/96/00/29/618960029.db2.gz YXUSQJUCMDATLZ-GOSISDBHSA-N 2 2 295.430 3.181 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCCCC(C)C)CC1 ZINC000892971436 618967649 /nfs/dbraw/zinc/96/76/49/618967649.db2.gz ROSOFXUVNXEHPN-UHFFFAOYSA-N 2 2 284.488 3.292 20 0 CGADLP CSc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931348615 619150510 /nfs/dbraw/zinc/15/05/10/619150510.db2.gz IWBFWAASIICRJQ-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(Cl)n1 ZINC000925764531 619224796 /nfs/dbraw/zinc/22/47/96/619224796.db2.gz GPXZPSWQJKCTCL-UKRRQHHQSA-N 2 2 295.858 3.444 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4c3NCCC4)CC2)c[nH+]1 ZINC000893979545 619344141 /nfs/dbraw/zinc/34/41/41/619344141.db2.gz CPQKAJGIQKJVMN-UHFFFAOYSA-N 2 2 296.418 3.078 20 0 CGADLP CC[N@H+](Cc1ccccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261697409 619356886 /nfs/dbraw/zinc/35/68/86/619356886.db2.gz CAAKETNZNRVMKA-OAHLLOKOSA-N 2 2 266.816 3.162 20 0 CGADLP CC[N@@H+](Cc1ccccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261697409 619356889 /nfs/dbraw/zinc/35/68/89/619356889.db2.gz CAAKETNZNRVMKA-OAHLLOKOSA-N 2 2 266.816 3.162 20 0 CGADLP CSC1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895112655 619736620 /nfs/dbraw/zinc/73/66/20/619736620.db2.gz QQPTYQKOVFJPRZ-HDJSIYSDSA-N 2 2 291.464 3.054 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(c1)CCCN2 ZINC000895190582 619774678 /nfs/dbraw/zinc/77/46/78/619774678.db2.gz VIEVPUMJGXMFMI-ZWKOTPCHSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c2c(c1)CCCN2 ZINC000895190582 619774681 /nfs/dbraw/zinc/77/46/81/619774681.db2.gz VIEVPUMJGXMFMI-ZWKOTPCHSA-N 2 2 299.462 3.151 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897481205 620347786 /nfs/dbraw/zinc/34/77/86/620347786.db2.gz BGHNJTIGKQBRRQ-ZIAGYGMSSA-N 2 2 294.826 3.065 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897481205 620347789 /nfs/dbraw/zinc/34/77/89/620347789.db2.gz BGHNJTIGKQBRRQ-ZIAGYGMSSA-N 2 2 294.826 3.065 20 0 CGADLP Fc1cccc(/C=C/C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897977698 620461650 /nfs/dbraw/zinc/46/16/50/620461650.db2.gz HXRGMOWKAAPLFD-HWKANZROSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982026 620462247 /nfs/dbraw/zinc/46/22/47/620462247.db2.gz VBBXQGWTDVQQHQ-NSCUHMNNSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccns1 ZINC000924623038 620542881 /nfs/dbraw/zinc/54/28/81/620542881.db2.gz FNJNKWLDEFIDCN-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP CCO[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccsc21)C[NH+](C)C ZINC000926957679 620554920 /nfs/dbraw/zinc/55/49/20/620554920.db2.gz CAMGZAZFGJSNMK-NFAWXSAZSA-N 2 2 296.480 3.243 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924648281 620555595 /nfs/dbraw/zinc/55/55/95/620555595.db2.gz JPNYBMRWMZCFKV-KGLIPLIRSA-N 2 2 296.374 3.277 20 0 CGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000924655662 620556673 /nfs/dbraw/zinc/55/66/73/620556673.db2.gz BPIIMJQJKHRPLN-CQSZACIVSA-N 2 2 287.407 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000924655662 620556674 /nfs/dbraw/zinc/55/66/74/620556674.db2.gz BPIIMJQJKHRPLN-CQSZACIVSA-N 2 2 287.407 3.366 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(Cl)c1 ZINC000902467915 621339253 /nfs/dbraw/zinc/33/92/53/621339253.db2.gz RMIGDAHADSJGRZ-GBJTYRQASA-N 2 2 264.800 3.274 20 0 CGADLP c1cncc([C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C2CCC2)c1 ZINC000902483937 621353077 /nfs/dbraw/zinc/35/30/77/621353077.db2.gz SVUOBNAXFSKZOG-DLBZAZTESA-N 2 2 273.424 3.045 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cccc2ccccc21 ZINC000902517843 621359163 /nfs/dbraw/zinc/35/91/63/621359163.db2.gz MNJYQFPXESGPJF-ZMSDIMECSA-N 2 2 298.430 3.257 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725212 621412944 /nfs/dbraw/zinc/41/29/44/621412944.db2.gz RUXDLRPHLSMVFN-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725212 621412950 /nfs/dbraw/zinc/41/29/50/621412950.db2.gz RUXDLRPHLSMVFN-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000902764497 621431497 /nfs/dbraw/zinc/43/14/97/621431497.db2.gz FYUZLRRMHDQQCY-IAGOWNOFSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903041439 621540976 /nfs/dbraw/zinc/54/09/76/621540976.db2.gz KFWJBJDLJZLTGY-OAHLLOKOSA-N 2 2 299.418 3.076 20 0 CGADLP C[C@H]([NH2+]CCCC1(O)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903021918 621541247 /nfs/dbraw/zinc/54/12/47/621541247.db2.gz CUYSUVVAJPMOLD-HNNXBMFYSA-N 2 2 299.418 3.218 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903055825 621545450 /nfs/dbraw/zinc/54/54/50/621545450.db2.gz CMLHGZBYWPTTAE-HOCLYGCPSA-N 2 2 299.418 3.338 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903331302 621705871 /nfs/dbraw/zinc/70/58/71/621705871.db2.gz MDTSRZRNEXMIQM-UONOGXRCSA-N 2 2 287.407 3.336 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858865 621821686 /nfs/dbraw/zinc/82/16/86/621821686.db2.gz JQJHRGXSVBRWSD-CRAIPNDOSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858865 621821688 /nfs/dbraw/zinc/82/16/88/621821688.db2.gz JQJHRGXSVBRWSD-CRAIPNDOSA-N 2 2 287.451 3.081 20 0 CGADLP CC1(c2ccccc2)CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903892078 621824791 /nfs/dbraw/zinc/82/47/91/621824791.db2.gz PHQDFNQKQNQBTG-CQSZACIVSA-N 2 2 282.378 3.023 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]([NH3+])CC(F)F ZINC000903883564 621826314 /nfs/dbraw/zinc/82/63/14/621826314.db2.gz JDAKTYCJANSACI-GFCCVEGCSA-N 2 2 276.758 3.144 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)C[C@H]([NH3+])CC(F)F ZINC000903883564 621826316 /nfs/dbraw/zinc/82/63/16/621826316.db2.gz JDAKTYCJANSACI-GFCCVEGCSA-N 2 2 276.758 3.144 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000903906874 621831399 /nfs/dbraw/zinc/83/13/99/621831399.db2.gz ZPMARSLYWYXZNL-ZIAGYGMSSA-N 2 2 268.351 3.196 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000903906874 621831402 /nfs/dbraw/zinc/83/14/02/621831402.db2.gz ZPMARSLYWYXZNL-ZIAGYGMSSA-N 2 2 268.351 3.196 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903948184 621840431 /nfs/dbraw/zinc/84/04/31/621840431.db2.gz MREHOIXKUIZQLZ-BZUAXINKSA-N 2 2 259.397 3.031 20 0 CGADLP Cc1csc([C@@H]2CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384857 621917471 /nfs/dbraw/zinc/91/74/71/621917471.db2.gz ODOAOTOPODGPRP-ZIAGYGMSSA-N 2 2 295.496 3.394 20 0 CGADLP Cc1csc([C@@H]2CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)n1 ZINC000904384857 621917474 /nfs/dbraw/zinc/91/74/74/621917474.db2.gz ODOAOTOPODGPRP-ZIAGYGMSSA-N 2 2 295.496 3.394 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000904428168 621920380 /nfs/dbraw/zinc/92/03/80/621920380.db2.gz FKTRINGIVBISNK-CABCVRRESA-N 2 2 275.440 3.202 20 0 CGADLP COc1cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc2ccccc21 ZINC000904473966 621925810 /nfs/dbraw/zinc/92/58/10/621925810.db2.gz RKRMPNCQSVFWIL-VFPJAPOESA-N 2 2 296.414 3.251 20 0 CGADLP CN(C)c1cc(-c2cccc(C[NH2+]C3CC3)c2)cc[nH+]1 ZINC000904852407 622008969 /nfs/dbraw/zinc/00/89/69/622008969.db2.gz YNRUKDUYSPAFLB-UHFFFAOYSA-N 2 2 267.376 3.067 20 0 CGADLP CC(C)(/C=C/Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922649957 626026780 /nfs/dbraw/zinc/02/67/80/626026780.db2.gz JRSBPKVYUUYELT-BQYQJAHWSA-N 2 2 275.783 3.493 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923315573 626144608 /nfs/dbraw/zinc/14/46/08/626144608.db2.gz IPGCXCXUEARXOZ-MRXNPFEDSA-N 2 2 280.362 3.244 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923315573 626144609 /nfs/dbraw/zinc/14/46/09/626144609.db2.gz IPGCXCXUEARXOZ-MRXNPFEDSA-N 2 2 280.362 3.244 20 0 CGADLP FC(F)(F)c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000923403077 626151192 /nfs/dbraw/zinc/15/11/92/626151192.db2.gz NMRPJXRJPBNNAU-UHFFFAOYSA-N 2 2 298.352 3.206 20 0 CGADLP FC(F)(F)c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923403077 626151195 /nfs/dbraw/zinc/15/11/95/626151195.db2.gz NMRPJXRJPBNNAU-UHFFFAOYSA-N 2 2 298.352 3.206 20 0 CGADLP Clc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Cl ZINC000923516847 626160528 /nfs/dbraw/zinc/16/05/28/626160528.db2.gz VPWBQMXNCDITFB-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Cl ZINC000923516847 626160531 /nfs/dbraw/zinc/16/05/31/626160531.db2.gz VPWBQMXNCDITFB-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531426 626161613 /nfs/dbraw/zinc/16/16/13/626161613.db2.gz SNGHPSICXHSWJS-ZIAGYGMSSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531426 626161616 /nfs/dbraw/zinc/16/16/16/626161616.db2.gz SNGHPSICXHSWJS-ZIAGYGMSSA-N 2 2 272.383 3.030 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000838909282 626276406 /nfs/dbraw/zinc/27/64/06/626276406.db2.gz PEETUNQTBIKPOY-SZMVWBNQSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCC2 ZINC000754796687 626587796 /nfs/dbraw/zinc/58/77/96/626587796.db2.gz YTQOQEWPQZLAOO-CRAIPNDOSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000754796687 626587797 /nfs/dbraw/zinc/58/77/97/626587797.db2.gz YTQOQEWPQZLAOO-CRAIPNDOSA-N 2 2 272.436 3.446 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872729 627276354 /nfs/dbraw/zinc/27/63/54/627276354.db2.gz KUQMGGWQRZQBGW-SJORKVTESA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872729 627276361 /nfs/dbraw/zinc/27/63/61/627276361.db2.gz KUQMGGWQRZQBGW-SJORKVTESA-N 2 2 264.457 3.419 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766272008 627309662 /nfs/dbraw/zinc/30/96/62/627309662.db2.gz IWNNXFRIZVCWJQ-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766272008 627309665 /nfs/dbraw/zinc/30/96/65/627309665.db2.gz IWNNXFRIZVCWJQ-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000766275763 627310750 /nfs/dbraw/zinc/31/07/50/627310750.db2.gz ZMRVDWPVMZRJCH-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000766275763 627310754 /nfs/dbraw/zinc/31/07/54/627310754.db2.gz ZMRVDWPVMZRJCH-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000766329370 627320619 /nfs/dbraw/zinc/32/06/19/627320619.db2.gz DCJBTLRYPDOEEM-RCCFBDPRSA-N 2 2 286.463 3.499 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000766437489 627331636 /nfs/dbraw/zinc/33/16/36/627331636.db2.gz CROLYZJYDUFORX-DLBZAZTESA-N 2 2 290.476 3.009 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000772954107 627834292 /nfs/dbraw/zinc/83/42/92/627834292.db2.gz VZUSXSZEXJLDSB-LBPRGKRZSA-N 2 2 293.455 3.459 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000777444692 628270842 /nfs/dbraw/zinc/27/08/42/628270842.db2.gz UNWNDZDGUQMVGL-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP C/C=C\C[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550746 629400588 /nfs/dbraw/zinc/40/05/88/629400588.db2.gz OCFHBDHSYIENGM-ZRUQZJFASA-N 2 2 293.480 3.383 20 0 CGADLP C/C=C\C[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550746 629400593 /nfs/dbraw/zinc/40/05/93/629400593.db2.gz OCFHBDHSYIENGM-ZRUQZJFASA-N 2 2 293.480 3.383 20 0 CGADLP C/C=C\C[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550745 629400825 /nfs/dbraw/zinc/40/08/25/629400825.db2.gz OCFHBDHSYIENGM-WSNITJDQSA-N 2 2 293.480 3.383 20 0 CGADLP C/C=C\C[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550745 629400828 /nfs/dbraw/zinc/40/08/28/629400828.db2.gz OCFHBDHSYIENGM-WSNITJDQSA-N 2 2 293.480 3.383 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000863545117 629603714 /nfs/dbraw/zinc/60/37/14/629603714.db2.gz HXGGFRIHOWXITG-XYPHTWIQSA-N 2 2 288.435 3.193 20 0 CGADLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(C)o1 ZINC000119727684 629705534 /nfs/dbraw/zinc/70/55/34/629705534.db2.gz YNMVRGXLLWUQDO-UHFFFAOYSA-N 2 2 273.380 3.273 20 0 CGADLP Fc1cccc2cc(C[NH2+]CCCCn3cc[nH+]c3)cnc12 ZINC000865424840 630116657 /nfs/dbraw/zinc/11/66/57/630116657.db2.gz CTUSREOVUYOSJZ-UHFFFAOYSA-N 2 2 298.365 3.140 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303908 630395511 /nfs/dbraw/zinc/39/55/11/630395511.db2.gz VYVYDKFRJDVQDN-LAQRGFTBSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303908 630395513 /nfs/dbraw/zinc/39/55/13/630395513.db2.gz VYVYDKFRJDVQDN-LAQRGFTBSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCC2 ZINC000817923921 632235105 /nfs/dbraw/zinc/23/51/05/632235105.db2.gz CVHSEQCBQHUAMX-HRCADAONSA-N 2 2 290.455 3.091 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000817955134 632250656 /nfs/dbraw/zinc/25/06/56/632250656.db2.gz QUUFKJAWUAUVFY-MSOLQXFVSA-N 2 2 266.388 3.272 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccnc1Cl ZINC000817959489 632255308 /nfs/dbraw/zinc/25/53/08/632255308.db2.gz RTOCYTFZKVWBEM-BXUZGUMPSA-N 2 2 281.831 3.293 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1C ZINC000817984787 632274216 /nfs/dbraw/zinc/27/42/16/632274216.db2.gz ZZYFXBIWUBQRBB-GJZGRUSLSA-N 2 2 276.424 3.105 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866230304 633035821 /nfs/dbraw/zinc/03/58/21/633035821.db2.gz ZAAHFZGLLQRWRW-WBMJQRKESA-N 2 2 273.355 3.078 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866581680 633201513 /nfs/dbraw/zinc/20/15/13/633201513.db2.gz AICXLXQNIHIGMJ-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866581680 633201516 /nfs/dbraw/zinc/20/15/16/633201516.db2.gz AICXLXQNIHIGMJ-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866581680 633201520 /nfs/dbraw/zinc/20/15/20/633201520.db2.gz AICXLXQNIHIGMJ-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866581680 633201524 /nfs/dbraw/zinc/20/15/24/633201524.db2.gz AICXLXQNIHIGMJ-XNRPHZJLSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585345 633202658 /nfs/dbraw/zinc/20/26/58/633202658.db2.gz WHAZRRQLAICQHT-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585345 633202663 /nfs/dbraw/zinc/20/26/63/633202663.db2.gz WHAZRRQLAICQHT-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585345 633202669 /nfs/dbraw/zinc/20/26/69/633202669.db2.gz WHAZRRQLAICQHT-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585345 633202674 /nfs/dbraw/zinc/20/26/74/633202674.db2.gz WHAZRRQLAICQHT-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000876560678 634857669 /nfs/dbraw/zinc/85/76/69/634857669.db2.gz KQZQEJQVFRQRIR-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000876560678 634857672 /nfs/dbraw/zinc/85/76/72/634857672.db2.gz KQZQEJQVFRQRIR-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1ccncc1CCC[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000827352155 633484830 /nfs/dbraw/zinc/48/48/30/633484830.db2.gz AGRFUWDFOBMGGS-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000872085682 634010605 /nfs/dbraw/zinc/01/06/05/634010605.db2.gz QIUFHLVGBJYHLE-VQHPVUNQSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000872085682 634010612 /nfs/dbraw/zinc/01/06/12/634010612.db2.gz QIUFHLVGBJYHLE-VQHPVUNQSA-N 2 2 294.483 3.187 20 0 CGADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1Cl ZINC000873232096 634293932 /nfs/dbraw/zinc/29/39/32/634293932.db2.gz VOXTYUWBFYFREZ-HUUCEWRRSA-N 2 2 264.800 3.023 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000877619369 635116293 /nfs/dbraw/zinc/11/62/93/635116293.db2.gz XJRWUBQHTLSLFW-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000877619369 635116295 /nfs/dbraw/zinc/11/62/95/635116295.db2.gz XJRWUBQHTLSLFW-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738404 635171326 /nfs/dbraw/zinc/17/13/26/635171326.db2.gz BNOAVZLXKSXNFR-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738404 635171327 /nfs/dbraw/zinc/17/13/27/635171327.db2.gz BNOAVZLXKSXNFR-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738404 635171331 /nfs/dbraw/zinc/17/13/31/635171331.db2.gz BNOAVZLXKSXNFR-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000877738404 635171335 /nfs/dbraw/zinc/17/13/35/635171335.db2.gz BNOAVZLXKSXNFR-CJNGLKHVSA-N 2 2 296.817 3.048 20 0 CGADLP Cc1cnccc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794113 635205217 /nfs/dbraw/zinc/20/52/17/635205217.db2.gz GZQGFNLAULSZCK-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753524 635227346 /nfs/dbraw/zinc/22/73/46/635227346.db2.gz DFFXDHLMXINDDD-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753524 635227352 /nfs/dbraw/zinc/22/73/52/635227352.db2.gz DFFXDHLMXINDDD-APIJFGDWSA-N 2 2 278.465 3.314 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1Cl ZINC000878253463 635434059 /nfs/dbraw/zinc/43/40/59/635434059.db2.gz NVPRSDZPNIJUAK-GFCCVEGCSA-N 2 2 290.798 3.146 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1Cl ZINC000878253463 635434064 /nfs/dbraw/zinc/43/40/64/635434064.db2.gz NVPRSDZPNIJUAK-GFCCVEGCSA-N 2 2 290.798 3.146 20 0 CGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843127740 635562465 /nfs/dbraw/zinc/56/24/65/635562465.db2.gz SXNHDWYIYXGREQ-OCCSQVGLSA-N 2 2 298.402 3.185 20 0 CGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843127740 635562467 /nfs/dbraw/zinc/56/24/67/635562467.db2.gz SXNHDWYIYXGREQ-OCCSQVGLSA-N 2 2 298.402 3.185 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142737 635923947 /nfs/dbraw/zinc/92/39/47/635923947.db2.gz TZJCORVJHLUPQW-HOTGVXAUSA-N 2 2 282.497 3.221 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142737 635923951 /nfs/dbraw/zinc/92/39/51/635923951.db2.gz TZJCORVJHLUPQW-HOTGVXAUSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCSC1CCCCC1 ZINC000880142737 635923956 /nfs/dbraw/zinc/92/39/56/635923956.db2.gz TZJCORVJHLUPQW-HOTGVXAUSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCSC1CCCCC1 ZINC000880142737 635923962 /nfs/dbraw/zinc/92/39/62/635923962.db2.gz TZJCORVJHLUPQW-HOTGVXAUSA-N 2 2 282.497 3.221 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)CC1 ZINC000880240176 635949500 /nfs/dbraw/zinc/94/95/00/635949500.db2.gz OLFBZIMXEFASBQ-UHFFFAOYSA-N 2 2 273.355 3.115 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@@H]2C=CCCC2)c2ccccc2)c[nH+]1 ZINC000880569245 636022770 /nfs/dbraw/zinc/02/27/70/636022770.db2.gz KCQDBQRLAFYHGX-IAGOWNOFSA-N 2 2 267.376 3.323 20 0 CGADLP CC(C)SCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568590 636023097 /nfs/dbraw/zinc/02/30/97/636023097.db2.gz AYAAJLHLSAMTFG-MRXNPFEDSA-N 2 2 289.448 3.356 20 0 CGADLP CCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568748 636023129 /nfs/dbraw/zinc/02/31/29/636023129.db2.gz FKILNGLURBVSOV-MRXNPFEDSA-N 2 2 257.381 3.404 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882989282 636493307 /nfs/dbraw/zinc/49/33/07/636493307.db2.gz JLPGCURYHLETOM-ZSHCYNCHSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883346822 636691599 /nfs/dbraw/zinc/69/15/99/636691599.db2.gz HETWIFXLZRIPTJ-JLSDUUJJSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883346822 636691608 /nfs/dbraw/zinc/69/16/08/636691608.db2.gz HETWIFXLZRIPTJ-JLSDUUJJSA-N 2 2 285.435 3.181 20 0 CGADLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000848986354 636704757 /nfs/dbraw/zinc/70/47/57/636704757.db2.gz GNHQJDJEHMGXQG-GXTWGEPZSA-N 2 2 296.484 3.043 20 0 CGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)sn1 ZINC000883397406 636739979 /nfs/dbraw/zinc/73/99/79/636739979.db2.gz LRZNDZPEKFNYSS-MRXNPFEDSA-N 2 2 298.415 3.179 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429554 636753621 /nfs/dbraw/zinc/75/36/21/636753621.db2.gz YQNQFUJAUUUSMS-OWCLPIDISA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429554 636753628 /nfs/dbraw/zinc/75/36/28/636753628.db2.gz YQNQFUJAUUUSMS-OWCLPIDISA-N 2 2 294.483 3.187 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000885946862 637324956 /nfs/dbraw/zinc/32/49/56/637324956.db2.gz SUVWDMLGRFKYBI-WMZOPIPTSA-N 2 2 299.418 3.310 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000886162080 637443124 /nfs/dbraw/zinc/44/31/24/637443124.db2.gz FGWQQHHHUCGTPS-IXDOHACOSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886662370 637639479 /nfs/dbraw/zinc/63/94/79/637639479.db2.gz CIAHZDIMNNSDBZ-UHFFFAOYSA-N 2 2 290.436 3.171 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924580080 638366677 /nfs/dbraw/zinc/36/66/77/638366677.db2.gz UIYSACAQLOJRDN-CYBMUJFWSA-N 2 2 279.428 3.064 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000924661225 638385050 /nfs/dbraw/zinc/38/50/50/638385050.db2.gz NWVVODAEKRYXBG-RKVPGOIHSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000924661225 638385054 /nfs/dbraw/zinc/38/50/54/638385054.db2.gz NWVVODAEKRYXBG-RKVPGOIHSA-N 2 2 294.483 3.044 20 0 CGADLP c1cn(CCCC[NH2+][C@@H](c2ccccn2)C2CCC2)c[nH+]1 ZINC000924729802 638395749 /nfs/dbraw/zinc/39/57/49/638395749.db2.gz BMFOPTCOSJLVRD-QGZVFWFLSA-N 2 2 284.407 3.189 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924768494 638400881 /nfs/dbraw/zinc/40/08/81/638400881.db2.gz GLNKCBYUQATFPK-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC[N@@H+]1C ZINC000925140059 638459459 /nfs/dbraw/zinc/45/94/59/638459459.db2.gz HUIQQUSPNNACKY-XUJVJEKNSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC[N@H+]1C ZINC000925140059 638459463 /nfs/dbraw/zinc/45/94/63/638459463.db2.gz HUIQQUSPNNACKY-XUJVJEKNSA-N 2 2 293.842 3.185 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C12CCC2 ZINC000925508188 638515269 /nfs/dbraw/zinc/51/52/69/638515269.db2.gz ZMLYCANNMJFLBL-KURKYZTESA-N 2 2 293.414 3.031 20 0 CGADLP CCO[C@H](CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000925526267 638518646 /nfs/dbraw/zinc/51/86/46/638518646.db2.gz HWWBTWKPUZKVIM-USXIJHARSA-N 2 2 278.440 3.116 20 0 CGADLP Cc1cccc(C)c1C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925583823 638537458 /nfs/dbraw/zinc/53/74/58/638537458.db2.gz OJFCOFQWYXKJBA-CRAIPNDOSA-N 2 2 268.404 3.482 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925663480 638561664 /nfs/dbraw/zinc/56/16/64/638561664.db2.gz TXBXJMVQBUYUOF-JBLLWJKWSA-N 2 2 288.460 3.056 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925663683 638562061 /nfs/dbraw/zinc/56/20/61/638562061.db2.gz WLKMXJQAMXKCPN-AUUYWEPGSA-N 2 2 293.414 3.389 20 0 CGADLP c1csc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925673604 638565136 /nfs/dbraw/zinc/56/51/36/638565136.db2.gz CWTVJFWJCNUCNW-HOTGVXAUSA-N 2 2 278.465 3.287 20 0 CGADLP c1csc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925673604 638565140 /nfs/dbraw/zinc/56/51/40/638565140.db2.gz CWTVJFWJCNUCNW-HOTGVXAUSA-N 2 2 278.465 3.287 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925685892 638569012 /nfs/dbraw/zinc/56/90/12/638569012.db2.gz PPUYCZKNAACSSU-WBAXXEDZSA-N 2 2 287.451 3.312 20 0 CGADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925685892 638569017 /nfs/dbraw/zinc/56/90/17/638569017.db2.gz PPUYCZKNAACSSU-WBAXXEDZSA-N 2 2 287.451 3.312 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925710451 638574518 /nfs/dbraw/zinc/57/45/18/638574518.db2.gz KCWWTWKNUMOZFO-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925785288 638614093 /nfs/dbraw/zinc/61/40/93/638614093.db2.gz VXVJDVCKCILUDY-FRRDWIJNSA-N 2 2 252.427 3.033 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872502 638637320 /nfs/dbraw/zinc/63/73/20/638637320.db2.gz VJKDRJUQHQGIHL-BRWVUGGUSA-N 2 2 279.387 3.193 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(F)F ZINC000926704850 638801393 /nfs/dbraw/zinc/80/13/93/638801393.db2.gz LNAATXMHPGRXJT-MCIONIFRSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(F)F ZINC000926704850 638801394 /nfs/dbraw/zinc/80/13/94/638801394.db2.gz LNAATXMHPGRXJT-MCIONIFRSA-N 2 2 272.383 3.028 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926738042 638805150 /nfs/dbraw/zinc/80/51/50/638805150.db2.gz RBUVNWBBBQCHMJ-AVGNSLFASA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926738042 638805151 /nfs/dbraw/zinc/80/51/51/638805151.db2.gz RBUVNWBBBQCHMJ-AVGNSLFASA-N 2 2 291.266 3.177 20 0 CGADLP CSC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000926865239 638818850 /nfs/dbraw/zinc/81/88/50/638818850.db2.gz RDMYPICYPOMNKZ-UYSNPLJNSA-N 2 2 287.432 3.108 20 0 CGADLP Cc1[nH]c(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785516 638950913 /nfs/dbraw/zinc/95/09/13/638950913.db2.gz AYCYCTUSXPDDFV-BZNIZROVSA-N 2 2 255.365 3.220 20 0 CGADLP Cc1[nH]c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000929785516 638950914 /nfs/dbraw/zinc/95/09/14/638950914.db2.gz AYCYCTUSXPDDFV-BZNIZROVSA-N 2 2 255.365 3.220 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)[nH]1 ZINC000929803844 638952910 /nfs/dbraw/zinc/95/29/10/638952910.db2.gz OROOSPAFLJVOJS-OAHLLOKOSA-N 2 2 289.423 3.081 20 0 CGADLP c1nc(C2CC2)oc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930130033 638976752 /nfs/dbraw/zinc/97/67/52/638976752.db2.gz WVDHBOSYTVTONH-UHFFFAOYSA-N 2 2 298.390 3.024 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](CC(F)(F)F)C(C)C)c(C)[nH+]1 ZINC000930248681 638986147 /nfs/dbraw/zinc/98/61/47/638986147.db2.gz MBZSWOHUQFJHHM-SNVBAGLBSA-N 2 2 263.307 3.093 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000092587806 640740664 /nfs/dbraw/zinc/74/06/64/640740664.db2.gz XVMGWSWHUIJQBL-MRXNPFEDSA-N 2 2 276.424 3.224 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000092587806 640740671 /nfs/dbraw/zinc/74/06/71/640740671.db2.gz XVMGWSWHUIJQBL-MRXNPFEDSA-N 2 2 276.424 3.224 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000252429095 640845360 /nfs/dbraw/zinc/84/53/60/640845360.db2.gz PLZQIKHUYSIJMG-QLFBSQMISA-N 2 2 263.429 3.466 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccccc32)C1 ZINC001156381981 805681834 /nfs/dbraw/zinc/68/18/34/805681834.db2.gz YRFHJIJLPIYGMQ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccccc32)C1 ZINC001156381981 805681839 /nfs/dbraw/zinc/68/18/39/805681839.db2.gz YRFHJIJLPIYGMQ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP COc1cc[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001156523920 805709861 /nfs/dbraw/zinc/70/98/61/805709861.db2.gz YUFPAFFCQNFQAP-QGZVFWFLSA-N 2 2 297.402 3.339 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1cc2ccccc2c[nH+]1 ZINC001156975037 805761312 /nfs/dbraw/zinc/76/13/12/805761312.db2.gz XXFDZOBEUCFHQX-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP Cc1nc(N2CCCC[C@]23CCC[NH2+]C3)cc(C(C)C)[nH+]1 ZINC001157468503 805817639 /nfs/dbraw/zinc/81/76/39/805817639.db2.gz OYUCZIUJBMVCAH-QGZVFWFLSA-N 2 2 288.439 3.021 20 0 CGADLP CCOc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158271549 805934257 /nfs/dbraw/zinc/93/42/57/805934257.db2.gz IYVJNORFZIEKRV-SUMWQHHRSA-N 2 2 291.439 3.436 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC001252004208 805972047 /nfs/dbraw/zinc/97/20/47/805972047.db2.gz VQZLKINOVSTCFD-MOPGFXCFSA-N 2 2 298.430 3.003 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158622144 805979461 /nfs/dbraw/zinc/97/94/61/805979461.db2.gz BCEGWUCXRYRDLN-AWEZNQCLSA-N 2 2 295.377 3.008 20 0 CGADLP Cc1cc(O)c[nH+]c1Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001159124447 806045713 /nfs/dbraw/zinc/04/57/13/806045713.db2.gz XWKNJLKMTJPQCF-HNNXBMFYSA-N 2 2 269.348 3.264 20 0 CGADLP CCOc1cc[nH+]cc1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159203392 806058523 /nfs/dbraw/zinc/05/85/23/806058523.db2.gz BQGPVWGAERIYJI-UHFFFAOYSA-N 2 2 271.364 3.418 20 0 CGADLP Cc1cccc(C)c1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262763 806068747 /nfs/dbraw/zinc/06/87/47/806068747.db2.gz XWNZFTPCKYLJQO-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP COc1cc(Nc2ccc(C(C)(C)[NH3+])cc2)cc(C)[nH+]1 ZINC001159288134 806075009 /nfs/dbraw/zinc/07/50/09/806075009.db2.gz OTLRHXBYDTYUIG-UHFFFAOYSA-N 2 2 271.364 3.336 20 0 CGADLP CCCc1cc[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001159408986 806096195 /nfs/dbraw/zinc/09/61/95/806096195.db2.gz LQKNMLPFVVAJGY-UHFFFAOYSA-N 2 2 296.418 3.187 20 0 CGADLP Cc1cc(C)c(Nc2ccc3c(c2)CC[NH2+]CC3)c[nH+]1 ZINC001159681172 806149243 /nfs/dbraw/zinc/14/92/43/806149243.db2.gz HNJWPQAZGVSGCN-UHFFFAOYSA-N 2 2 267.376 3.130 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160015423 806213574 /nfs/dbraw/zinc/21/35/74/806213574.db2.gz VANSDHFVQMADJG-UHFFFAOYSA-N 2 2 297.402 3.376 20 0 CGADLP COc1cc[nH+]cc1Nc1ccccc1C1=CC[NH2+]CC1 ZINC001160023607 806215244 /nfs/dbraw/zinc/21/52/44/806215244.db2.gz RCXULJDHHIKVHW-UHFFFAOYSA-N 2 2 281.359 3.211 20 0 CGADLP Cc1cc2[nH]ccc2c(NCc2c[nH+]cn2CC2CCC2)[nH+]1 ZINC001161533537 806387671 /nfs/dbraw/zinc/38/76/71/806387671.db2.gz SWHBPHIOKTUPDO-UHFFFAOYSA-N 2 2 295.390 3.480 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254843694 806495376 /nfs/dbraw/zinc/49/53/76/806495376.db2.gz GJVYXSFCTXCEGR-SJLPKXTDSA-N 2 2 288.410 3.277 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254848223 806497775 /nfs/dbraw/zinc/49/77/75/806497775.db2.gz NHWRSYBDUZWISS-CRAIPNDOSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CCC2 ZINC001254849481 806498196 /nfs/dbraw/zinc/49/81/96/806498196.db2.gz BPDRVFNMRGAVJQ-IEBWSBKVSA-N 2 2 284.447 3.446 20 0 CGADLP C[C@@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853265 806498462 /nfs/dbraw/zinc/49/84/62/806498462.db2.gz MZBVASARIFSHRQ-PBHICJAKSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)Cc2ccccc21 ZINC001254853265 806498466 /nfs/dbraw/zinc/49/84/66/806498466.db2.gz MZBVASARIFSHRQ-PBHICJAKSA-N 2 2 270.420 3.090 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861307 806500061 /nfs/dbraw/zinc/50/00/61/806500061.db2.gz FZMOPICLARLQEF-ZWKOTPCHSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254861307 806500068 /nfs/dbraw/zinc/50/00/68/806500068.db2.gz FZMOPICLARLQEF-ZWKOTPCHSA-N 2 2 288.410 3.447 20 0 CGADLP CCCC[NH+](CCCC)CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254930844 806511992 /nfs/dbraw/zinc/51/19/92/806511992.db2.gz KIOKQVAZWDYZAS-HZPDHXFCSA-N 2 2 294.483 3.236 20 0 CGADLP Cc1cccc2cc[nH+]c(NC3C[NH+](C(C)(C)C)C3)c12 ZINC001162226508 806533812 /nfs/dbraw/zinc/53/38/12/806533812.db2.gz UNSSUDZIJIKZOC-UHFFFAOYSA-N 2 2 269.392 3.438 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001162423632 806583293 /nfs/dbraw/zinc/58/32/93/806583293.db2.gz BVRHUAOYMHETHH-GJZGRUSLSA-N 2 2 288.439 3.337 20 0 CGADLP CCOc1ccc([NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)cc1C ZINC001162466126 806591265 /nfs/dbraw/zinc/59/12/65/806591265.db2.gz MDFUJFCGBAFMIN-CABCVRRESA-N 2 2 276.424 3.441 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1[NH+](C)C ZINC001162472414 806594296 /nfs/dbraw/zinc/59/42/96/806594296.db2.gz XKVUSZFEDYRLNB-GJZGRUSLSA-N 2 2 275.440 3.109 20 0 CGADLP CCCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001255333224 806620594 /nfs/dbraw/zinc/62/05/94/806620594.db2.gz IIAKBIDMHOBWEC-AWEZNQCLSA-N 2 2 261.413 3.219 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395514 806632735 /nfs/dbraw/zinc/63/27/35/806632735.db2.gz BXJVJLGGNSHLGO-WBVHZDCISA-N 2 2 299.418 3.380 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccno1 ZINC001255395514 806632741 /nfs/dbraw/zinc/63/27/41/806632741.db2.gz BXJVJLGGNSHLGO-WBVHZDCISA-N 2 2 299.418 3.380 20 0 CGADLP COc1cc2[nH+]ccc(NC(=[NH2+])C(C)(C)C)c2cc1OC ZINC001162660914 806642771 /nfs/dbraw/zinc/64/27/71/806642771.db2.gz PRTOPMNCTVLJSV-UHFFFAOYSA-N 2 2 287.363 3.109 20 0 CGADLP Cc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)cc(C2CCCCC2)[nH+]1 ZINC001162797353 806667240 /nfs/dbraw/zinc/66/72/40/806667240.db2.gz MDWYYTRNVCQUNK-BZUAXINKSA-N 2 2 298.434 3.019 20 0 CGADLP CCCc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(CCC)[nH+]1 ZINC001162984395 806690062 /nfs/dbraw/zinc/69/00/62/806690062.db2.gz VTLYJPLICKJABC-WMLDXEAASA-N 2 2 288.439 3.078 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000037156272 798860293 /nfs/dbraw/zinc/86/02/93/798860293.db2.gz JBNHWYCJVSGWCN-KFWWJZLASA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156264 798860768 /nfs/dbraw/zinc/86/07/68/798860768.db2.gz PLZQIKHUYSIJMG-KFWWJZLASA-N 2 2 263.429 3.466 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000311144226 799223606 /nfs/dbraw/zinc/22/36/06/799223606.db2.gz LTLQXQZFWOTMHO-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000311144226 799223610 /nfs/dbraw/zinc/22/36/10/799223610.db2.gz LTLQXQZFWOTMHO-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000380987288 799370731 /nfs/dbraw/zinc/37/07/31/799370731.db2.gz GVAPSQJFADMEKF-CBBWQLFWSA-N 2 2 261.413 3.076 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC001255772723 806744434 /nfs/dbraw/zinc/74/44/34/806744434.db2.gz JRDDPODCRYSRFH-QGZVFWFLSA-N 2 2 274.452 3.392 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389479690 799462292 /nfs/dbraw/zinc/46/22/92/799462292.db2.gz XBFXIARNLZPUEM-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389479690 799462294 /nfs/dbraw/zinc/46/22/94/799462294.db2.gz XBFXIARNLZPUEM-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1F ZINC001255946852 806792621 /nfs/dbraw/zinc/79/26/21/806792621.db2.gz JXDUETNBSDIAPY-ZDUSSCGKSA-N 2 2 284.394 3.483 20 0 CGADLP CCC[NH+](CCC)c1ccc(Nc2nccnc2C[NH3+])cc1 ZINC001163648821 806796042 /nfs/dbraw/zinc/79/60/42/806796042.db2.gz PBNGBPPJMASVJD-UHFFFAOYSA-N 2 2 299.422 3.305 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC001255972411 806803786 /nfs/dbraw/zinc/80/37/86/806803786.db2.gz RDQVRFRSVMRVQF-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC001255972411 806803793 /nfs/dbraw/zinc/80/37/93/806803793.db2.gz RDQVRFRSVMRVQF-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP CC1(C)CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC000721524659 800292186 /nfs/dbraw/zinc/29/21/86/800292186.db2.gz QEIVERTVJZCCBM-QGZVFWFLSA-N 2 2 272.436 3.341 20 0 CGADLP CC1(C)CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC000721524659 800292190 /nfs/dbraw/zinc/29/21/90/800292190.db2.gz QEIVERTVJZCCBM-QGZVFWFLSA-N 2 2 272.436 3.341 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721630426 800298095 /nfs/dbraw/zinc/29/80/95/800298095.db2.gz FUVHCYNNDAQATE-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)C1 ZINC000722391843 800321043 /nfs/dbraw/zinc/32/10/43/800321043.db2.gz JJEBEQWBUGCLIA-MBNYWOFBSA-N 2 2 281.469 3.119 20 0 CGADLP Cc1[nH+]cn([C@@H](C)CCC(C)C)c1CSCC[NH3+] ZINC001256355351 806863000 /nfs/dbraw/zinc/86/30/00/806863000.db2.gz WWQJVIQPBCSWGN-LBPRGKRZSA-N 2 2 269.458 3.381 20 0 CGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542326 806911963 /nfs/dbraw/zinc/91/19/63/806911963.db2.gz OLIMVTVXBMQDET-ATLSCFEFSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542326 806911967 /nfs/dbraw/zinc/91/19/67/806911967.db2.gz OLIMVTVXBMQDET-ATLSCFEFSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542326 806911970 /nfs/dbraw/zinc/91/19/70/806911970.db2.gz OLIMVTVXBMQDET-ATLSCFEFSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1F ZINC001256542326 806911974 /nfs/dbraw/zinc/91/19/74/806911974.db2.gz OLIMVTVXBMQDET-ATLSCFEFSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544633 806912313 /nfs/dbraw/zinc/91/23/13/806912313.db2.gz ZTSDCBVZKLJSMU-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544633 806912318 /nfs/dbraw/zinc/91/23/18/806912318.db2.gz ZTSDCBVZKLJSMU-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544633 806912320 /nfs/dbraw/zinc/91/23/20/806912320.db2.gz ZTSDCBVZKLJSMU-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544633 806912325 /nfs/dbraw/zinc/91/23/25/806912325.db2.gz ZTSDCBVZKLJSMU-MVJTYMMSSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603590 806923341 /nfs/dbraw/zinc/92/33/41/806923341.db2.gz GXRSUBFNTYBKSK-GOSISDBHSA-N 2 2 290.426 3.475 20 0 CGADLP C[C@@]1(F)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603590 806923344 /nfs/dbraw/zinc/92/33/44/806923344.db2.gz GXRSUBFNTYBKSK-GOSISDBHSA-N 2 2 290.426 3.475 20 0 CGADLP C[C@]1(F)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603591 806923993 /nfs/dbraw/zinc/92/39/93/806923993.db2.gz GXRSUBFNTYBKSK-SFHVURJKSA-N 2 2 290.426 3.475 20 0 CGADLP C[C@]1(F)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603591 806923994 /nfs/dbraw/zinc/92/39/94/806923994.db2.gz GXRSUBFNTYBKSK-SFHVURJKSA-N 2 2 290.426 3.475 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]ccc2cc(Cl)ccc21 ZINC001164463123 806951752 /nfs/dbraw/zinc/95/17/52/806951752.db2.gz XAOBUALVJMPUAI-NWDGAFQWSA-N 2 2 289.810 3.452 20 0 CGADLP c1ccc(-c2cc[nH+]c(N3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC001165236889 806979029 /nfs/dbraw/zinc/97/90/29/806979029.db2.gz OISIHPAGHKZUIC-LJQANCHMSA-N 2 2 293.414 3.329 20 0 CGADLP Cc1cc([NH2+][C@@H]2CC[C@H]2C2CC2)ccc1N1CC[NH+](C)CC1 ZINC001117620870 802472838 /nfs/dbraw/zinc/47/28/38/802472838.db2.gz YUCJDEQWVPQBAT-ZWKOTPCHSA-N 2 2 299.462 3.347 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cnc(-c3ccccc3)s2)n1C ZINC001118565034 802584797 /nfs/dbraw/zinc/58/47/97/802584797.db2.gz ITMKGEHHGALBNU-UHFFFAOYSA-N 2 2 298.415 3.142 20 0 CGADLP CCC1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001256870226 806996193 /nfs/dbraw/zinc/99/61/93/806996193.db2.gz QLDCDLDDKRGMQZ-UHFFFAOYSA-N 2 2 257.381 3.393 20 0 CGADLP CNc1cc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)cc[nH+]1 ZINC001244977070 803601079 /nfs/dbraw/zinc/60/10/79/803601079.db2.gz UQWBNYNWBNZTOI-HNNXBMFYSA-N 2 2 271.339 3.354 20 0 CGADLP Cc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)ccn1 ZINC001137419665 803731383 /nfs/dbraw/zinc/73/13/83/803731383.db2.gz GINNHNWZBCULNH-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)ccn1 ZINC001137419665 803731386 /nfs/dbraw/zinc/73/13/86/803731386.db2.gz GINNHNWZBCULNH-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)c[nH+]c1N ZINC001245541673 803800349 /nfs/dbraw/zinc/80/03/49/803800349.db2.gz UTSOVLJWIRAOEX-UHFFFAOYSA-N 2 2 294.402 3.225 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C1CCc2ccccc2CC1)c1ccccc1 ZINC001246074464 804112064 /nfs/dbraw/zinc/11/20/64/804112064.db2.gz DUDWQIXXZOGXPQ-LJQANCHMSA-N 2 2 280.415 3.224 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246077811 804115490 /nfs/dbraw/zinc/11/54/90/804115490.db2.gz UGACQMWBYOMKSG-YOEHRIQHSA-N 2 2 286.806 3.097 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C[NH2+]1 ZINC001246082091 804119265 /nfs/dbraw/zinc/11/92/65/804119265.db2.gz VXYUGNATKIBRDA-PBHICJAKSA-N 2 2 266.388 3.194 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246092254 804124247 /nfs/dbraw/zinc/12/42/47/804124247.db2.gz OUEFLQFIWTUVGB-ULQDDVLXSA-N 2 2 278.415 3.078 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246101044 804133603 /nfs/dbraw/zinc/13/36/03/804133603.db2.gz UVMXBRTZSPGASU-LSDHHAIUSA-N 2 2 268.420 3.169 20 0 CGADLP CCCCCC[C@H](CC)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148259 804168348 /nfs/dbraw/zinc/16/83/48/804168348.db2.gz RDKGCONRDIMKIR-DLBZAZTESA-N 3 2 295.515 3.199 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246159564 804175807 /nfs/dbraw/zinc/17/58/07/804175807.db2.gz AJAASHLAYXTRSH-GXSJLCMTSA-N 2 2 290.304 3.075 20 0 CGADLP CC1CC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356953 804181430 /nfs/dbraw/zinc/18/14/30/804181430.db2.gz URMYLTWGENRDSI-UHFFFAOYSA-N 2 2 255.365 3.103 20 0 CGADLP CC1CC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356953 804181437 /nfs/dbraw/zinc/18/14/37/804181437.db2.gz URMYLTWGENRDSI-UHFFFAOYSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC001246191947 804199654 /nfs/dbraw/zinc/19/96/54/804199654.db2.gz BMYPHHFZDGSKAF-MISXGVKJSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2ccc(Cl)cc2)C[NH2+]1 ZINC001246194952 804202349 /nfs/dbraw/zinc/20/23/49/804202349.db2.gz KVBALQCRKUIFOS-BXUZGUMPSA-N 2 2 266.816 3.305 20 0 CGADLP CC(C)[N@H+](Cc1cc(Cl)ccn1)C1CC[NH+](C)CC1 ZINC001139566668 804211505 /nfs/dbraw/zinc/21/15/05/804211505.db2.gz RISADIANFKITIQ-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1cc(Cl)ccn1)C1CC[NH+](C)CC1 ZINC001139566668 804211511 /nfs/dbraw/zinc/21/15/11/804211511.db2.gz RISADIANFKITIQ-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246287777 804260625 /nfs/dbraw/zinc/26/06/25/804260625.db2.gz KUYAXRDRIJSYIS-CVEARBPZSA-N 2 2 264.388 3.399 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC001246312608 804273536 /nfs/dbraw/zinc/27/35/36/804273536.db2.gz GPBGVTARYXCGES-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246357122 804300902 /nfs/dbraw/zinc/30/09/02/804300902.db2.gz JALNPBTZRNOZRN-XJKSGUPXSA-N 2 2 294.414 3.091 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246355281 804301714 /nfs/dbraw/zinc/30/17/14/804301714.db2.gz AXFPCDLJCLDJQO-UONOGXRCSA-N 2 2 286.341 3.498 20 0 CGADLP Fc1ccc(-c2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC001246377676 804311883 /nfs/dbraw/zinc/31/18/83/804311883.db2.gz PTOAJZLNZVHLGA-SFHVURJKSA-N 2 2 284.378 3.334 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)C[NH2+]1 ZINC001246412385 804326818 /nfs/dbraw/zinc/32/68/18/804326818.db2.gz KKQGAGZZMMSBMG-PSOPSSQASA-N 2 2 298.352 3.423 20 0 CGADLP CC(C)[NH2+]CC[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246461430 804342589 /nfs/dbraw/zinc/34/25/89/804342589.db2.gz PUWDLJYSTDKXFY-LBPRGKRZSA-N 2 2 286.872 3.408 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2(CCC2)C1 ZINC001140021981 804352912 /nfs/dbraw/zinc/35/29/12/804352912.db2.gz WGFQPLIDMNFJQF-UHFFFAOYSA-N 2 2 267.376 3.167 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246505462 804365932 /nfs/dbraw/zinc/36/59/32/804365932.db2.gz AZPAZQQWAPYPHY-NUEKZKHPSA-N 2 2 260.425 3.491 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCCCCCC2)c1 ZINC001246511465 804366636 /nfs/dbraw/zinc/36/66/36/804366636.db2.gz QAQRACPCGDAJSO-KRWDZBQOSA-N 2 2 276.424 3.398 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559341 804408275 /nfs/dbraw/zinc/40/82/75/804408275.db2.gz PBLKJHIBOLGBGI-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246559341 804408278 /nfs/dbraw/zinc/40/82/78/804408278.db2.gz PBLKJHIBOLGBGI-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@](F)(C[NH3+])C1)C2 ZINC001246580964 804425690 /nfs/dbraw/zinc/42/56/90/804425690.db2.gz OPUJQBJIKPKRDE-WMZOPIPTSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@](F)(C[NH3+])C1)C2 ZINC001246580964 804425693 /nfs/dbraw/zinc/42/56/93/804425693.db2.gz OPUJQBJIKPKRDE-WMZOPIPTSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@](F)(C[NH3+])C1)CC2 ZINC001246585130 804428731 /nfs/dbraw/zinc/42/87/31/804428731.db2.gz YRLUEBOHOLUBRJ-ZWKOTPCHSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@](F)(C[NH3+])C1)CC2 ZINC001246585130 804428734 /nfs/dbraw/zinc/42/87/34/804428734.db2.gz YRLUEBOHOLUBRJ-ZWKOTPCHSA-N 2 2 290.426 3.005 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631514 804462692 /nfs/dbraw/zinc/46/26/92/804462692.db2.gz QCRLUVYDUNGWFW-LLVKDONJSA-N 2 2 299.245 3.220 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246631514 804462697 /nfs/dbraw/zinc/46/26/97/804462697.db2.gz QCRLUVYDUNGWFW-LLVKDONJSA-N 2 2 299.245 3.220 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246647092 804473641 /nfs/dbraw/zinc/47/36/41/804473641.db2.gz GZVQNQTWZGEWJD-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246647092 804473643 /nfs/dbraw/zinc/47/36/43/804473643.db2.gz GZVQNQTWZGEWJD-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)no1 ZINC001140800151 804518576 /nfs/dbraw/zinc/51/85/76/804518576.db2.gz WWFCJRDSIAHUBA-INIZCTEOSA-N 2 2 282.347 3.196 20 0 CGADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)no1 ZINC001140800151 804518580 /nfs/dbraw/zinc/51/85/80/804518580.db2.gz WWFCJRDSIAHUBA-INIZCTEOSA-N 2 2 282.347 3.196 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246823128 804536798 /nfs/dbraw/zinc/53/67/98/804536798.db2.gz NJXSJKGDPLYYNL-XBFCOCLRSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246823128 804536800 /nfs/dbraw/zinc/53/68/00/804536800.db2.gz NJXSJKGDPLYYNL-XBFCOCLRSA-N 2 2 278.827 3.009 20 0 CGADLP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836490 804544354 /nfs/dbraw/zinc/54/43/54/804544354.db2.gz XWOIOPMRWFWHJG-JWHDQAAXSA-N 2 2 284.447 3.224 20 0 CGADLP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC4CCC3CC4)CC[NH2+]2)cc1 ZINC001246836490 804544359 /nfs/dbraw/zinc/54/43/59/804544359.db2.gz XWOIOPMRWFWHJG-JWHDQAAXSA-N 2 2 284.447 3.224 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840624 804548600 /nfs/dbraw/zinc/54/86/00/804548600.db2.gz OQZOZYPEASOCRU-YLJYHZDGSA-N 2 2 294.442 3.482 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C[NH2+]1 ZINC001246840624 804548603 /nfs/dbraw/zinc/54/86/03/804548603.db2.gz OQZOZYPEASOCRU-YLJYHZDGSA-N 2 2 294.442 3.482 20 0 CGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246872250 804573419 /nfs/dbraw/zinc/57/34/19/804573419.db2.gz RKZRNEJDUNHVED-XJKCOSOUSA-N 2 2 294.464 3.103 20 0 CGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246872250 804573423 /nfs/dbraw/zinc/57/34/23/804573423.db2.gz RKZRNEJDUNHVED-XJKCOSOUSA-N 2 2 294.464 3.103 20 0 CGADLP c1cn2ccc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)cc2[nH+]1 ZINC001141045916 804578525 /nfs/dbraw/zinc/57/85/25/804578525.db2.gz FGMBJNSSYJSMDN-CVEARBPZSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2ccc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)cc2[nH+]1 ZINC001141045916 804578532 /nfs/dbraw/zinc/57/85/32/804578532.db2.gz FGMBJNSSYJSMDN-CVEARBPZSA-N 2 2 269.392 3.346 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246913773 804597031 /nfs/dbraw/zinc/59/70/31/804597031.db2.gz MMKJESGYYDHCHE-CHWSQXEVSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246913773 804597035 /nfs/dbraw/zinc/59/70/35/804597035.db2.gz MMKJESGYYDHCHE-CHWSQXEVSA-N 2 2 299.245 3.274 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965368 804619483 /nfs/dbraw/zinc/61/94/83/804619483.db2.gz UNEQTVSZQSKSRC-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965368 804619487 /nfs/dbraw/zinc/61/94/87/804619487.db2.gz UNEQTVSZQSKSRC-NJAFHUGGSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H](C)[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965706 804619857 /nfs/dbraw/zinc/61/98/57/804619857.db2.gz QLYPHPAJGJBMEL-LBPRGKRZSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@H](C)[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001246965706 804619860 /nfs/dbraw/zinc/61/98/60/804619860.db2.gz QLYPHPAJGJBMEL-LBPRGKRZSA-N 2 2 282.378 3.317 20 0 CGADLP CCC[C@@H](CC)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966460 804620531 /nfs/dbraw/zinc/62/05/31/804620531.db2.gz XQXTWRLWXLOICB-SJORKVTESA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@@H](CC)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246966460 804620534 /nfs/dbraw/zinc/62/05/34/804620534.db2.gz XQXTWRLWXLOICB-SJORKVTESA-N 2 2 275.440 3.214 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1c(F)cccc1Cl ZINC001246980397 804627865 /nfs/dbraw/zinc/62/78/65/804627865.db2.gz IELWRVUATZONBZ-MNOVXSKESA-N 2 2 272.795 3.079 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1c(F)cccc1Cl ZINC001246980397 804627869 /nfs/dbraw/zinc/62/78/69/804627869.db2.gz IELWRVUATZONBZ-MNOVXSKESA-N 2 2 272.795 3.079 20 0 CGADLP CCCCn1c2ccc(C)cc2[nH+]c1CCCC[NH3+] ZINC001247043736 804650537 /nfs/dbraw/zinc/65/05/37/804650537.db2.gz GUDPLLUPUHQDGC-UHFFFAOYSA-N 2 2 259.397 3.426 20 0 CGADLP Cc1cccc2c1[nH+]c(N)n2-c1cc[nH+]cc1C(F)(F)F ZINC001249583978 805180590 /nfs/dbraw/zinc/18/05/90/805180590.db2.gz NCMPWLXYGNXRLE-UHFFFAOYSA-N 2 2 292.264 3.330 20 0 CGADLP Cc1cc(Cl)c(C)c(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154986858 805518986 /nfs/dbraw/zinc/51/89/86/805518986.db2.gz UWGGIKSBIFURIO-QWRGUYRKSA-N 2 2 253.777 3.034 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001256869799 806995108 /nfs/dbraw/zinc/99/51/08/806995108.db2.gz STVXKQZGPPVJGF-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP CCC1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001256869799 806995114 /nfs/dbraw/zinc/99/51/14/806995114.db2.gz STVXKQZGPPVJGF-NRXISQOPSA-N 2 2 250.430 3.172 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257272359 807084960 /nfs/dbraw/zinc/08/49/60/807084960.db2.gz WTVBIZFYDMFNND-CABCVRRESA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@@H](CC)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257272359 807084969 /nfs/dbraw/zinc/08/49/69/807084969.db2.gz WTVBIZFYDMFNND-CABCVRRESA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257310477 807100059 /nfs/dbraw/zinc/10/00/59/807100059.db2.gz FGXVYXYMKHFZKC-HNNXBMFYSA-N 2 2 290.451 3.438 20 0 CGADLP CCCC(CCC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001257339949 807114851 /nfs/dbraw/zinc/11/48/51/807114851.db2.gz MINQECAYJOMOAK-UHFFFAOYSA-N 2 2 290.455 3.184 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258060319 807281574 /nfs/dbraw/zinc/28/15/74/807281574.db2.gz HORDUFPUOYDEOI-ULQDDVLXSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258060319 807281578 /nfs/dbraw/zinc/28/15/78/807281578.db2.gz HORDUFPUOYDEOI-ULQDDVLXSA-N 2 2 296.499 3.290 20 0 CGADLP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001258149075 807319059 /nfs/dbraw/zinc/31/90/59/807319059.db2.gz WNNAATGODXWBPJ-MJGOQNOKSA-N 2 2 284.447 3.178 20 0 CGADLP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC001258149075 807319068 /nfs/dbraw/zinc/31/90/68/807319068.db2.gz WNNAATGODXWBPJ-MJGOQNOKSA-N 2 2 284.447 3.178 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H](C)C1 ZINC001258163440 807331795 /nfs/dbraw/zinc/33/17/95/807331795.db2.gz MCXWUZICJHPHAT-NHAGDIPZSA-N 2 2 257.381 3.249 20 0 CGADLP CCCCC[C@@H](CC)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258443919 807454459 /nfs/dbraw/zinc/45/44/59/807454459.db2.gz PMLIWCIAJLPLJS-SJORKVTESA-N 2 2 282.472 3.142 20 0 CGADLP CCCCC[C@@H](CC)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258443919 807454462 /nfs/dbraw/zinc/45/44/62/807454462.db2.gz PMLIWCIAJLPLJS-SJORKVTESA-N 2 2 282.472 3.142 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703760 807490965 /nfs/dbraw/zinc/49/09/65/807490965.db2.gz ASJLJTWCXXJBDS-GJZGRUSLSA-N 2 2 292.854 3.127 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703760 807490969 /nfs/dbraw/zinc/49/09/69/807490969.db2.gz ASJLJTWCXXJBDS-GJZGRUSLSA-N 2 2 292.854 3.127 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168742040 807501759 /nfs/dbraw/zinc/50/17/59/807501759.db2.gz BPOSDNFQIFPOCP-AWEZNQCLSA-N 2 2 289.810 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168742040 807501762 /nfs/dbraw/zinc/50/17/62/807501762.db2.gz BPOSDNFQIFPOCP-AWEZNQCLSA-N 2 2 289.810 3.026 20 0 CGADLP CC1(C)CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258609012 807506227 /nfs/dbraw/zinc/50/62/27/807506227.db2.gz QZGZDDDPQDLPLN-OAHLLOKOSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1cc(NCC(C)(C)C[NH+](C)C)ccc1[NH+](C)C ZINC001168769753 807508616 /nfs/dbraw/zinc/50/86/16/807508616.db2.gz YRISGTFQAAULNN-UHFFFAOYSA-N 2 2 263.429 3.061 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001258813661 807630997 /nfs/dbraw/zinc/63/09/97/807630997.db2.gz LEFCAIJCDYEKQR-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001258813661 807631002 /nfs/dbraw/zinc/63/10/02/807631002.db2.gz LEFCAIJCDYEKQR-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](C(CC(C)C)CC(C)C)C2 ZINC001258833690 807647762 /nfs/dbraw/zinc/64/77/62/807647762.db2.gz GFXUHILGVARLMZ-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](C(CC(C)C)CC(C)C)C2 ZINC001258833690 807647766 /nfs/dbraw/zinc/64/77/66/807647766.db2.gz GFXUHILGVARLMZ-UHFFFAOYSA-N 2 2 263.429 3.468 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001258908544 807672584 /nfs/dbraw/zinc/67/25/84/807672584.db2.gz WZPVIRPBOGHMAF-KGLIPLIRSA-N 2 2 294.405 3.424 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001258908544 807672588 /nfs/dbraw/zinc/67/25/88/807672588.db2.gz WZPVIRPBOGHMAF-KGLIPLIRSA-N 2 2 294.405 3.424 20 0 CGADLP C[C@H]1CC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001170120680 807766501 /nfs/dbraw/zinc/76/65/01/807766501.db2.gz JGHWDDGXUAFMCJ-WFASDCNBSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@@H]1CCCCN1c1cccc(NC[C@@H]2CCCC[NH2+]2)[nH+]1 ZINC001171331141 808028183 /nfs/dbraw/zinc/02/81/83/808028183.db2.gz ZMZMEABXDPOWOT-CABCVRRESA-N 2 2 288.439 3.014 20 0 CGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NC[C@@H]3CCCC[NH2+]3)c12 ZINC001171335092 808030863 /nfs/dbraw/zinc/03/08/63/808030863.db2.gz LFOKSJIAMVBYAF-VIFPVBQESA-N 2 2 298.312 3.136 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]COc2ccccc2)CC1(C)C ZINC001171623768 808106766 /nfs/dbraw/zinc/10/67/66/808106766.db2.gz FRXMGXBGBPYGOL-UHFFFAOYSA-N 2 2 276.424 3.264 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1(C)C ZINC001171629865 808108109 /nfs/dbraw/zinc/10/81/09/808108109.db2.gz XSXAJBXUAXNJAP-GDBMZVCRSA-N 2 2 294.483 3.139 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1(C)C ZINC001171629865 808108114 /nfs/dbraw/zinc/10/81/14/808108114.db2.gz XSXAJBXUAXNJAP-GDBMZVCRSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC001172366972 808262102 /nfs/dbraw/zinc/26/21/02/808262102.db2.gz IQQYNFWDCMWLIV-UMVBOHGHSA-N 2 2 257.381 3.249 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001172717289 808417790 /nfs/dbraw/zinc/41/77/90/808417790.db2.gz VQVWUXOBZNSWFT-INIZCTEOSA-N 2 2 297.789 3.245 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001172832245 808451188 /nfs/dbraw/zinc/45/11/88/808451188.db2.gz RPYQIERCPZTSMK-OALUTQOASA-N 2 2 286.463 3.172 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001172832245 808451191 /nfs/dbraw/zinc/45/11/91/808451191.db2.gz RPYQIERCPZTSMK-OALUTQOASA-N 2 2 286.463 3.172 20 0 CGADLP CO[C@@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948002 808493545 /nfs/dbraw/zinc/49/35/45/808493545.db2.gz BFZFDVQSXXXFDR-QZTJIDSGSA-N 2 2 294.483 3.283 20 0 CGADLP CO[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001172948002 808493550 /nfs/dbraw/zinc/49/35/50/808493550.db2.gz BFZFDVQSXXXFDR-QZTJIDSGSA-N 2 2 294.483 3.283 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173037119 808497324 /nfs/dbraw/zinc/49/73/24/808497324.db2.gz RGDIKWVIXVSHCJ-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)cc1 ZINC001173237627 808545926 /nfs/dbraw/zinc/54/59/26/808545926.db2.gz JLELLKFQWSJAFG-CVEARBPZSA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285480 808586013 /nfs/dbraw/zinc/58/60/13/808586013.db2.gz WKDBVLCAAWUDTC-ZBFHGGJFSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285480 808586015 /nfs/dbraw/zinc/58/60/15/808586015.db2.gz WKDBVLCAAWUDTC-ZBFHGGJFSA-N 2 2 252.446 3.370 20 0 CGADLP c1c[nH+]c(-c2ccc(Nc3cc[nH+]c4c3CCC4)cc2)[nH]1 ZINC001213086706 815229737 /nfs/dbraw/zinc/22/97/37/815229737.db2.gz WGICOAKADWGBSA-UHFFFAOYSA-N 2 2 276.343 3.126 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001173929767 808768220 /nfs/dbraw/zinc/76/82/20/808768220.db2.gz WUUMCZBEHOSQLI-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)cc(F)cc3F)(C1)CCC2 ZINC001275290556 808926236 /nfs/dbraw/zinc/92/62/36/808926236.db2.gz QRPUBWDEHDVYTR-JKSUJKDBSA-N 2 2 298.352 3.258 20 0 CGADLP Cc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275768638 808963735 /nfs/dbraw/zinc/96/37/35/808963735.db2.gz ZRKGAWXWRFMOPL-UHFFFAOYSA-N 2 2 280.415 3.286 20 0 CGADLP Cc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275768638 808963738 /nfs/dbraw/zinc/96/37/38/808963738.db2.gz ZRKGAWXWRFMOPL-UHFFFAOYSA-N 2 2 280.415 3.286 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1F ZINC001276304314 809001752 /nfs/dbraw/zinc/00/17/52/809001752.db2.gz AYOULNODQQMAIM-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1F ZINC001276304314 809001758 /nfs/dbraw/zinc/00/17/58/809001758.db2.gz AYOULNODQQMAIM-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1F ZINC001276304314 809001764 /nfs/dbraw/zinc/00/17/64/809001764.db2.gz AYOULNODQQMAIM-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1F ZINC001276304314 809001771 /nfs/dbraw/zinc/00/17/71/809001771.db2.gz AYOULNODQQMAIM-SFHVURJKSA-N 2 2 290.426 3.442 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ccc1Cl ZINC001276790502 809031391 /nfs/dbraw/zinc/03/13/91/809031391.db2.gz YLKDFAJWNRBRQN-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ccc1Cl ZINC001276790502 809031397 /nfs/dbraw/zinc/03/13/97/809031397.db2.gz YLKDFAJWNRBRQN-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP Cc1c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc(F)c1F ZINC001276846509 809037897 /nfs/dbraw/zinc/03/78/97/809037897.db2.gz WGMFGNXCFVELJD-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc(F)c1F ZINC001276846509 809037903 /nfs/dbraw/zinc/03/79/03/809037903.db2.gz WGMFGNXCFVELJD-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc(F)c1F ZINC001276846509 809037911 /nfs/dbraw/zinc/03/79/11/809037911.db2.gz WGMFGNXCFVELJD-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc(F)c1F ZINC001276846509 809037918 /nfs/dbraw/zinc/03/79/18/809037918.db2.gz WGMFGNXCFVELJD-QGZVFWFLSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc(C)[nH+]1 ZINC001176054492 809609950 /nfs/dbraw/zinc/60/99/50/809609950.db2.gz WPLBFZCZUVNSCZ-UHFFFAOYSA-N 2 2 272.739 3.165 20 0 CGADLP COc1cc[nH+]cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176121567 809628062 /nfs/dbraw/zinc/62/80/62/809628062.db2.gz XUTHGBTVSHNONZ-UHFFFAOYSA-N 2 2 283.375 3.430 20 0 CGADLP C[NH+](C)CCOc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001176229578 809650859 /nfs/dbraw/zinc/65/08/59/809650859.db2.gz LDKDIJFLVUDEIO-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP CCN(C)c1ccc(Nc2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC001176290259 809662570 /nfs/dbraw/zinc/66/25/70/809662570.db2.gz DTRHRLVLSBMYNM-UHFFFAOYSA-N 2 2 284.407 3.343 20 0 CGADLP CC(C)(C[NH2+]CC[N@@H+]1CCCC1(C)C)Oc1ccccc1 ZINC001182308678 810104494 /nfs/dbraw/zinc/10/44/94/810104494.db2.gz IMSLHAPFURQZML-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)(C[NH2+]CC[N@H+]1CCCC1(C)C)Oc1ccccc1 ZINC001182308678 810104497 /nfs/dbraw/zinc/10/44/97/810104497.db2.gz IMSLHAPFURQZML-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001186669470 810355230 /nfs/dbraw/zinc/35/52/30/810355230.db2.gz ILNLLTAAJLGGDQ-AWEZNQCLSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc(C2CCC2)[nH+]1 ZINC001186669470 810355238 /nfs/dbraw/zinc/35/52/38/810355238.db2.gz ILNLLTAAJLGGDQ-AWEZNQCLSA-N 2 2 288.439 3.196 20 0 CGADLP C[C@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701197 811447650 /nfs/dbraw/zinc/44/76/50/811447650.db2.gz FMDNUYNVCTZIHX-BPQIPLTHSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@H](CCc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001197701197 811447658 /nfs/dbraw/zinc/44/76/58/811447658.db2.gz FMDNUYNVCTZIHX-BPQIPLTHSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@H](CCc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001197701197 811447665 /nfs/dbraw/zinc/44/76/65/811447665.db2.gz FMDNUYNVCTZIHX-BPQIPLTHSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@H](CCc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001197701197 811447672 /nfs/dbraw/zinc/44/76/72/811447672.db2.gz FMDNUYNVCTZIHX-BPQIPLTHSA-N 2 2 272.436 3.176 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198767953 811542257 /nfs/dbraw/zinc/54/22/57/811542257.db2.gz FYHUTNGEQKKMBD-ZDUSSCGKSA-N 2 2 287.382 3.500 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001199268381 811568511 /nfs/dbraw/zinc/56/85/11/811568511.db2.gz WSAMWJSOBQJXBD-KLHDSHLOSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001199268381 811568518 /nfs/dbraw/zinc/56/85/18/811568518.db2.gz WSAMWJSOBQJXBD-KLHDSHLOSA-N 2 2 252.446 3.133 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC001199268401 811568887 /nfs/dbraw/zinc/56/88/87/811568887.db2.gz WWJZMQTWNBTVBN-XIRDDKMYSA-N 2 2 264.457 3.300 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC001199268401 811568892 /nfs/dbraw/zinc/56/88/92/811568892.db2.gz WWJZMQTWNBTVBN-XIRDDKMYSA-N 2 2 264.457 3.300 20 0 CGADLP CCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201757069 811961960 /nfs/dbraw/zinc/96/19/60/811961960.db2.gz UPUAAXPMHJMYPO-OAHLLOKOSA-N 2 2 262.397 3.423 20 0 CGADLP CCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201757069 811961965 /nfs/dbraw/zinc/96/19/65/811961965.db2.gz UPUAAXPMHJMYPO-OAHLLOKOSA-N 2 2 262.397 3.423 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001203328497 812311552 /nfs/dbraw/zinc/31/15/52/812311552.db2.gz SOMRMLCUJZWDQK-WBTNSWJXSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001203328497 812311561 /nfs/dbraw/zinc/31/15/61/812311561.db2.gz SOMRMLCUJZWDQK-WBTNSWJXSA-N 2 2 262.441 3.172 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2cccc(O)c2)C2CCCC2)CC1 ZINC001203865451 812476938 /nfs/dbraw/zinc/47/69/38/812476938.db2.gz AIIVIYWWHMFDHY-UHFFFAOYSA-N 2 2 288.435 3.231 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2cccc(O)c2)C2CCCC2)CC1 ZINC001203865451 812476944 /nfs/dbraw/zinc/47/69/44/812476944.db2.gz AIIVIYWWHMFDHY-UHFFFAOYSA-N 2 2 288.435 3.231 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999350 812513969 /nfs/dbraw/zinc/51/39/69/812513969.db2.gz CCXUQQCQZAAYDG-RBUKOAKNSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999350 812513972 /nfs/dbraw/zinc/51/39/72/812513972.db2.gz CCXUQQCQZAAYDG-RBUKOAKNSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999350 812513979 /nfs/dbraw/zinc/51/39/79/812513979.db2.gz CCXUQQCQZAAYDG-RBUKOAKNSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@H]21 ZINC001203999350 812513985 /nfs/dbraw/zinc/51/39/85/812513985.db2.gz CCXUQQCQZAAYDG-RBUKOAKNSA-N 2 2 280.415 3.366 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001204179118 812568454 /nfs/dbraw/zinc/56/84/54/812568454.db2.gz JEIROPMHLJYKNR-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001204179118 812568458 /nfs/dbraw/zinc/56/84/58/812568458.db2.gz JEIROPMHLJYKNR-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204770467 812731288 /nfs/dbraw/zinc/73/12/88/812731288.db2.gz FIIOHXPCPWQEMS-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204770467 812731296 /nfs/dbraw/zinc/73/12/96/812731296.db2.gz FIIOHXPCPWQEMS-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204877464 812760170 /nfs/dbraw/zinc/76/01/70/812760170.db2.gz JVWDQGJNIYHCAN-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001204877464 812760178 /nfs/dbraw/zinc/76/01/78/812760178.db2.gz JVWDQGJNIYHCAN-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204877432 812760947 /nfs/dbraw/zinc/76/09/47/812760947.db2.gz IYAAMTCIOODJBA-KRWDZBQOSA-N 2 2 278.399 3.181 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204877432 812760953 /nfs/dbraw/zinc/76/09/53/812760953.db2.gz IYAAMTCIOODJBA-KRWDZBQOSA-N 2 2 278.399 3.181 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204884925 812763895 /nfs/dbraw/zinc/76/38/95/812763895.db2.gz FHXRHSBYQYSFCX-FQEVSTJZSA-N 2 2 294.442 3.395 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001204884925 812763900 /nfs/dbraw/zinc/76/39/00/812763900.db2.gz FHXRHSBYQYSFCX-FQEVSTJZSA-N 2 2 294.442 3.395 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204938870 812786904 /nfs/dbraw/zinc/78/69/04/812786904.db2.gz NZVYCVMJPUSVDN-KRWDZBQOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204938870 812786911 /nfs/dbraw/zinc/78/69/11/812786911.db2.gz NZVYCVMJPUSVDN-KRWDZBQOSA-N 2 2 276.424 3.035 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1C(C)C ZINC001204946129 812792320 /nfs/dbraw/zinc/79/23/20/812792320.db2.gz LAJUJUWVIGLQTP-SFHVURJKSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1C(C)C ZINC001204946129 812792324 /nfs/dbraw/zinc/79/23/24/812792324.db2.gz LAJUJUWVIGLQTP-SFHVURJKSA-N 2 2 290.451 3.440 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C)c2Cl)C1 ZINC001205018625 812828279 /nfs/dbraw/zinc/82/82/79/812828279.db2.gz WDMPNHNWZGOYRP-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2Cl)C1 ZINC001205018625 812828287 /nfs/dbraw/zinc/82/82/87/812828287.db2.gz WDMPNHNWZGOYRP-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205087861 812856304 /nfs/dbraw/zinc/85/63/04/812856304.db2.gz KCKQHWUGODLICT-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1OC(C)C ZINC001205087861 812856311 /nfs/dbraw/zinc/85/63/11/812856311.db2.gz KCKQHWUGODLICT-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001205093438 812859188 /nfs/dbraw/zinc/85/91/88/812859188.db2.gz ACLCRFQWPQVAHP-LLVKDONJSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001205093438 812859199 /nfs/dbraw/zinc/85/91/99/812859199.db2.gz ACLCRFQWPQVAHP-LLVKDONJSA-N 2 2 273.207 3.307 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(F)cc1Cl ZINC001205124446 812879204 /nfs/dbraw/zinc/87/92/04/812879204.db2.gz RPOHVAPGAXYOHV-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(F)cc1Cl ZINC001205124446 812879209 /nfs/dbraw/zinc/87/92/09/812879209.db2.gz RPOHVAPGAXYOHV-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCC1 ZINC001205435165 812982948 /nfs/dbraw/zinc/98/29/48/812982948.db2.gz XLLZMWPEGILGFB-AWEZNQCLSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001215745431 815573206 /nfs/dbraw/zinc/57/32/06/815573206.db2.gz YYJWJUOCGDMFDD-UHFFFAOYSA-N 2 2 299.418 3.106 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806943 813088158 /nfs/dbraw/zinc/08/81/58/813088158.db2.gz WSTBSRBSSDQTPC-GDBMZVCRSA-N 2 2 298.430 3.408 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806943 813088164 /nfs/dbraw/zinc/08/81/64/813088164.db2.gz WSTBSRBSSDQTPC-GDBMZVCRSA-N 2 2 298.430 3.408 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205817732 813095131 /nfs/dbraw/zinc/09/51/31/813095131.db2.gz QQFCYCCNPFQRFD-PBHICJAKSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2nc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2c1 ZINC001205817732 813095135 /nfs/dbraw/zinc/09/51/35/813095135.db2.gz QQFCYCCNPFQRFD-PBHICJAKSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205817009 813095192 /nfs/dbraw/zinc/09/51/92/813095192.db2.gz PNNXMPDENJUBNJ-CZUORRHYSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2c1 ZINC001205817009 813095200 /nfs/dbraw/zinc/09/52/00/813095200.db2.gz PNNXMPDENJUBNJ-CZUORRHYSA-N 2 2 271.408 3.036 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856860 813109613 /nfs/dbraw/zinc/10/96/13/813109613.db2.gz YTDYRTJKODUNGJ-GOEBONIOSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856860 813109618 /nfs/dbraw/zinc/10/96/18/813109618.db2.gz YTDYRTJKODUNGJ-GOEBONIOSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3sccc32)C[C@@H]1[NH3+] ZINC001205888387 813119969 /nfs/dbraw/zinc/11/99/69/813119969.db2.gz CLUAEAJTOCVRKC-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@@H]1[NH3+] ZINC001205888387 813119974 /nfs/dbraw/zinc/11/99/74/813119974.db2.gz CLUAEAJTOCVRKC-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205932328 813138887 /nfs/dbraw/zinc/13/88/87/813138887.db2.gz QNVIYBWBDRGVRI-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205932328 813138892 /nfs/dbraw/zinc/13/88/92/813138892.db2.gz QNVIYBWBDRGVRI-CQSZACIVSA-N 2 2 286.341 3.327 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931467 813139481 /nfs/dbraw/zinc/13/94/81/813139481.db2.gz JLBDJQXOFWLXLN-HNNXBMFYSA-N 2 2 276.424 3.177 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931467 813139486 /nfs/dbraw/zinc/13/94/86/813139486.db2.gz JLBDJQXOFWLXLN-HNNXBMFYSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Cl ZINC001206198180 813236549 /nfs/dbraw/zinc/23/65/49/813236549.db2.gz LJBOKPUPUHRANN-OLZOCXBDSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Cl ZINC001206198180 813236555 /nfs/dbraw/zinc/23/65/55/813236555.db2.gz LJBOKPUPUHRANN-OLZOCXBDSA-N 2 2 288.769 3.049 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCCc2ccccc2)C1 ZINC001206337271 813294366 /nfs/dbraw/zinc/29/43/66/813294366.db2.gz RMCDKAQGYBQMSH-QGZVFWFLSA-N 2 2 278.415 3.162 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC001206337271 813294369 /nfs/dbraw/zinc/29/43/69/813294369.db2.gz RMCDKAQGYBQMSH-QGZVFWFLSA-N 2 2 278.415 3.162 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2coc3ccccc23)C1 ZINC001206351245 813300467 /nfs/dbraw/zinc/30/04/67/813300467.db2.gz AJFDTSBMKHWTNF-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2coc3ccccc23)C1 ZINC001206351245 813300474 /nfs/dbraw/zinc/30/04/74/813300474.db2.gz AJFDTSBMKHWTNF-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP CCC(C)(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206730750 813410971 /nfs/dbraw/zinc/41/09/71/813410971.db2.gz YGMONMULAOJJLJ-UHFFFAOYSA-N 2 2 260.425 3.155 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812601 813444942 /nfs/dbraw/zinc/44/49/42/813444942.db2.gz ZUHSLHXOWUOKTQ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812601 813444946 /nfs/dbraw/zinc/44/49/46/813444946.db2.gz ZUHSLHXOWUOKTQ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cncc(F)c1 ZINC001207024038 813468206 /nfs/dbraw/zinc/46/82/06/813468206.db2.gz UUQMRXQMBLXAHL-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cncc(F)c1 ZINC001207024038 813468209 /nfs/dbraw/zinc/46/82/09/813468209.db2.gz UUQMRXQMBLXAHL-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001207024038 813468213 /nfs/dbraw/zinc/46/82/13/813468213.db2.gz UUQMRXQMBLXAHL-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001207024038 813468219 /nfs/dbraw/zinc/46/82/19/813468219.db2.gz UUQMRXQMBLXAHL-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)o1 ZINC001208171235 813724600 /nfs/dbraw/zinc/72/46/00/813724600.db2.gz ZEESREXWAHYRSL-VNQPRFMTSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)o1 ZINC001208171235 813724602 /nfs/dbraw/zinc/72/46/02/813724602.db2.gz ZEESREXWAHYRSL-VNQPRFMTSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)o1 ZINC001208171235 813724606 /nfs/dbraw/zinc/72/46/06/813724606.db2.gz ZEESREXWAHYRSL-VNQPRFMTSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)o1 ZINC001208171235 813724609 /nfs/dbraw/zinc/72/46/09/813724609.db2.gz ZEESREXWAHYRSL-VNQPRFMTSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CC[C@H](C)CC(C)(C)C)C2 ZINC001208655728 813782517 /nfs/dbraw/zinc/78/25/17/813782517.db2.gz STPDHSKTJZNDLG-ZDUSSCGKSA-N 2 2 263.429 3.470 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CC[C@H](C)CC(C)(C)C)C2 ZINC001208655728 813782520 /nfs/dbraw/zinc/78/25/20/813782520.db2.gz STPDHSKTJZNDLG-ZDUSSCGKSA-N 2 2 263.429 3.470 20 0 CGADLP C[NH+]1CCC([N@H+](C[C@H]2CCC=CO2)C2CCCC2)CC1 ZINC001208886078 813882087 /nfs/dbraw/zinc/88/20/87/813882087.db2.gz TWOHQJZGKCOTGS-QGZVFWFLSA-N 2 2 278.440 3.018 20 0 CGADLP C[NH+]1CCC([N@@H+](C[C@H]2CCC=CO2)C2CCCC2)CC1 ZINC001208886078 813882093 /nfs/dbraw/zinc/88/20/93/813882093.db2.gz TWOHQJZGKCOTGS-QGZVFWFLSA-N 2 2 278.440 3.018 20 0 CGADLP CCOC(C)(C)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209078580 813928585 /nfs/dbraw/zinc/92/85/85/813928585.db2.gz JYENBERDJRAVMJ-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP CCOC(C)(C)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209078580 813928589 /nfs/dbraw/zinc/92/85/89/813928589.db2.gz JYENBERDJRAVMJ-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP c1cn2c(cccc2C2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001242694876 823103053 /nfs/dbraw/zinc/10/30/53/823103053.db2.gz NXYBMFSXDFUYFC-OAHLLOKOSA-N 2 2 267.376 3.366 20 0 CGADLP Cc1cccc(C[N@H+](Cc2c[nH+]ccc2N)C2CC2)c1C ZINC001209731494 814123858 /nfs/dbraw/zinc/12/38/58/814123858.db2.gz CUERRBMIRNDBIN-UHFFFAOYSA-N 2 2 281.403 3.276 20 0 CGADLP Cc1cccc(C[N@@H+](Cc2c[nH+]ccc2N)C2CC2)c1C ZINC001209731494 814123868 /nfs/dbraw/zinc/12/38/68/814123868.db2.gz CUERRBMIRNDBIN-UHFFFAOYSA-N 2 2 281.403 3.276 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210520472 814506660 /nfs/dbraw/zinc/50/66/60/814506660.db2.gz ZIPHJTDARDMSJT-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210520472 814506665 /nfs/dbraw/zinc/50/66/65/814506665.db2.gz ZIPHJTDARDMSJT-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC001210561179 814527061 /nfs/dbraw/zinc/52/70/61/814527061.db2.gz HWHSYNLWADGFLI-UHFFFAOYSA-N 2 2 296.414 3.013 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001211130684 814756416 /nfs/dbraw/zinc/75/64/16/814756416.db2.gz YBTHXSLKRRXYRJ-UHFFFAOYSA-N 2 2 297.280 3.443 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cccn3cc(C)[nH+]c23)cc1 ZINC001211130078 814756495 /nfs/dbraw/zinc/75/64/95/814756495.db2.gz YMMRFOPDLSIOJT-UHFFFAOYSA-N 2 2 266.348 3.106 20 0 CGADLP COc1cc(Nc2c[nH+]cn2Cc2ccccc2)[nH+]cc1C ZINC001216552672 815857343 /nfs/dbraw/zinc/85/73/43/815857343.db2.gz XBXIHRSMWIFZDI-UHFFFAOYSA-N 2 2 294.358 3.387 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222237885 816383606 /nfs/dbraw/zinc/38/36/06/816383606.db2.gz WHFZJPFRRKXXNJ-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2nc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001222237885 816383615 /nfs/dbraw/zinc/38/36/15/816383615.db2.gz WHFZJPFRRKXXNJ-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP c1c2cccnc2sc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252483 816387390 /nfs/dbraw/zinc/38/73/90/816387390.db2.gz FQNGCGBIMCVHQU-MRXNPFEDSA-N 2 2 287.432 3.014 20 0 CGADLP c1c2cccnc2sc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252483 816387398 /nfs/dbraw/zinc/38/73/98/816387398.db2.gz FQNGCGBIMCVHQU-MRXNPFEDSA-N 2 2 287.432 3.014 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277824 816393778 /nfs/dbraw/zinc/39/37/78/816393778.db2.gz STQYWKKFTUZNAL-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277824 816393786 /nfs/dbraw/zinc/39/37/86/816393786.db2.gz STQYWKKFTUZNAL-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP CC(C)c1ccc(CC[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC001222335575 816410581 /nfs/dbraw/zinc/41/05/81/816410581.db2.gz VWELYHNWIHBMIY-UHFFFAOYSA-N 2 2 272.436 3.038 20 0 CGADLP COc1ccc2ccccc2c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335424 816410900 /nfs/dbraw/zinc/41/09/00/816410900.db2.gz MNYYDKGXKMGRNO-UHFFFAOYSA-N 2 2 296.414 3.034 20 0 CGADLP Fc1ccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cc1 ZINC001222380105 816423586 /nfs/dbraw/zinc/42/35/86/816423586.db2.gz SBELZIXWWBMXAQ-UHFFFAOYSA-N 2 2 296.389 3.288 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc2c1CCC2 ZINC001222385437 816426628 /nfs/dbraw/zinc/42/66/28/816426628.db2.gz NEPWUKOGOVQARW-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc2c1CCC2 ZINC001222385437 816426631 /nfs/dbraw/zinc/42/66/31/816426631.db2.gz NEPWUKOGOVQARW-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP Cn1c[nH+]cc1-c1ccc2[nH]cc(C[C@H]3CCC[N@@H+]3C)c2c1 ZINC001243067695 823234021 /nfs/dbraw/zinc/23/40/21/823234021.db2.gz NPBMMHYHLDPDQJ-OAHLLOKOSA-N 2 2 294.402 3.205 20 0 CGADLP Cn1c[nH+]cc1-c1ccc2[nH]cc(C[C@H]3CCC[N@H+]3C)c2c1 ZINC001243067695 823234022 /nfs/dbraw/zinc/23/40/22/823234022.db2.gz NPBMMHYHLDPDQJ-OAHLLOKOSA-N 2 2 294.402 3.205 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc4ccccc4[nH]3)cc2)C1 ZINC001243106331 823249280 /nfs/dbraw/zinc/24/92/80/823249280.db2.gz JWHBMUBFFRNDDN-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc4ccccc4[nH]3)cc2)C1 ZINC001243106331 823249288 /nfs/dbraw/zinc/24/92/88/823249288.db2.gz JWHBMUBFFRNDDN-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cs1 ZINC001232283387 818304458 /nfs/dbraw/zinc/30/44/58/818304458.db2.gz YTEPHLMRHGLYOC-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cs1 ZINC001232283387 818304464 /nfs/dbraw/zinc/30/44/64/818304464.db2.gz YTEPHLMRHGLYOC-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640221 818407973 /nfs/dbraw/zinc/40/79/73/818407973.db2.gz JYRCERJCNRQGHP-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640221 818407976 /nfs/dbraw/zinc/40/79/76/818407976.db2.gz JYRCERJCNRQGHP-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640221 818407979 /nfs/dbraw/zinc/40/79/79/818407979.db2.gz JYRCERJCNRQGHP-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@H]21 ZINC001232640221 818407981 /nfs/dbraw/zinc/40/79/81/818407981.db2.gz JYRCERJCNRQGHP-IEBWSBKVSA-N 2 2 284.447 3.091 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1O ZINC001243307915 823338468 /nfs/dbraw/zinc/33/84/68/823338468.db2.gz JKNZHRUCZVDCFV-SFHVURJKSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc(C)c1O ZINC001243307915 823338470 /nfs/dbraw/zinc/33/84/70/823338470.db2.gz JKNZHRUCZVDCFV-SFHVURJKSA-N 2 2 296.414 3.209 20 0 CGADLP CC[NH+](CC)Cc1ccccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001243339292 823352141 /nfs/dbraw/zinc/35/21/41/823352141.db2.gz RUKZHISDKDFTCV-UHFFFAOYSA-N 2 2 294.402 3.425 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235008271 818979005 /nfs/dbraw/zinc/97/90/05/818979005.db2.gz PVZQNQSECUGNEL-UHFFFAOYSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235008271 818979009 /nfs/dbraw/zinc/97/90/09/818979009.db2.gz PVZQNQSECUGNEL-UHFFFAOYSA-N 2 2 296.389 3.416 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033572 818984446 /nfs/dbraw/zinc/98/44/46/818984446.db2.gz YZPHKFSXFKFLMD-HNNXBMFYSA-N 2 2 299.245 3.221 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033572 818984452 /nfs/dbraw/zinc/98/44/52/818984452.db2.gz YZPHKFSXFKFLMD-HNNXBMFYSA-N 2 2 299.245 3.221 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)cc1F ZINC001235040097 818988401 /nfs/dbraw/zinc/98/84/01/818988401.db2.gz QDFYNWMXNQINTJ-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)cc1F ZINC001235040097 818988410 /nfs/dbraw/zinc/98/84/10/818988410.db2.gz QDFYNWMXNQINTJ-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235114666 819008365 /nfs/dbraw/zinc/00/83/65/819008365.db2.gz FSBXDNMLTXUULS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235114666 819008370 /nfs/dbraw/zinc/00/83/70/819008370.db2.gz FSBXDNMLTXUULS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235114712 819009241 /nfs/dbraw/zinc/00/92/41/819009241.db2.gz GEWMFASSVMYBIH-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235114712 819009246 /nfs/dbraw/zinc/00/92/46/819009246.db2.gz GEWMFASSVMYBIH-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235254701 819051109 /nfs/dbraw/zinc/05/11/09/819051109.db2.gz CQGBQKVKNDBIPC-HOTGVXAUSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235254701 819051115 /nfs/dbraw/zinc/05/11/15/819051115.db2.gz CQGBQKVKNDBIPC-HOTGVXAUSA-N 2 2 284.428 3.209 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC001235258973 819053221 /nfs/dbraw/zinc/05/32/21/819053221.db2.gz CMWJOTCXPNOPRD-GOEBONIOSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC001235258973 819053224 /nfs/dbraw/zinc/05/32/24/819053224.db2.gz CMWJOTCXPNOPRD-GOEBONIOSA-N 2 2 278.827 3.141 20 0 CGADLP C[N@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001235346819 819075610 /nfs/dbraw/zinc/07/56/10/819075610.db2.gz JNPBFDSQJLYULP-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@@H+](Cc1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001235346819 819075612 /nfs/dbraw/zinc/07/56/12/819075612.db2.gz JNPBFDSQJLYULP-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001235724838 819153367 /nfs/dbraw/zinc/15/33/67/819153367.db2.gz JVCYOWHKFYXMGJ-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001235724838 819153371 /nfs/dbraw/zinc/15/33/71/819153371.db2.gz JVCYOWHKFYXMGJ-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2cc3ccccc3cc2OC)CC1 ZINC001235726353 819154723 /nfs/dbraw/zinc/15/47/23/819154723.db2.gz NKOOOPWAKMLRDO-UHFFFAOYSA-N 2 2 298.430 3.422 20 0 CGADLP CC[N@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001235762358 819163320 /nfs/dbraw/zinc/16/33/20/819163320.db2.gz SKUBUJDGBAXZCL-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1c(C)cccc1Cl)C1CC[NH2+]CC1 ZINC001235762358 819163322 /nfs/dbraw/zinc/16/33/22/819163322.db2.gz SKUBUJDGBAXZCL-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)nc2C)CC1 ZINC001235820037 819174147 /nfs/dbraw/zinc/17/41/47/819174147.db2.gz VJGRRIOVCGMIDN-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)nc2C)CC1 ZINC001235820037 819174144 /nfs/dbraw/zinc/17/41/44/819174144.db2.gz VJGRRIOVCGMIDN-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235890767 819199265 /nfs/dbraw/zinc/19/92/65/819199265.db2.gz GFZOFHDCBGDZMA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235890767 819199267 /nfs/dbraw/zinc/19/92/67/819199267.db2.gz GFZOFHDCBGDZMA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925712 819224547 /nfs/dbraw/zinc/22/45/47/819224547.db2.gz YAMIZXHUWSBLRP-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925712 819224550 /nfs/dbraw/zinc/22/45/50/819224550.db2.gz YAMIZXHUWSBLRP-NSHDSACASA-N 2 2 270.779 3.101 20 0 CGADLP CCCCC[NH+](CCCCC)CC1=CS[C@H]([NH3+])N1 ZINC001235962103 819251041 /nfs/dbraw/zinc/25/10/41/819251041.db2.gz LKDIWMFGVJVQHV-CQSZACIVSA-N 2 2 271.474 3.089 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990618 819261896 /nfs/dbraw/zinc/26/18/96/819261896.db2.gz KLLBZXQNRVGTMD-PBHICJAKSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990618 819261903 /nfs/dbraw/zinc/26/19/03/819261903.db2.gz KLLBZXQNRVGTMD-PBHICJAKSA-N 2 2 284.428 3.338 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235994896 819263789 /nfs/dbraw/zinc/26/37/89/819263789.db2.gz VMQQWAMMXIVGOW-WMZOPIPTSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235994896 819263794 /nfs/dbraw/zinc/26/37/94/819263794.db2.gz VMQQWAMMXIVGOW-WMZOPIPTSA-N 2 2 272.436 3.297 20 0 CGADLP C[N@H+](Cc1cccc2c1CCCC2)[C@]1(C)CCC[NH2+]C1 ZINC001236204991 819367385 /nfs/dbraw/zinc/36/73/85/819367385.db2.gz FBWGLSIPSNLYCG-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP C[N@@H+](Cc1cccc2c1CCCC2)[C@]1(C)CCC[NH2+]C1 ZINC001236204991 819367389 /nfs/dbraw/zinc/36/73/89/819367389.db2.gz FBWGLSIPSNLYCG-GOSISDBHSA-N 2 2 272.436 3.139 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208811 819370527 /nfs/dbraw/zinc/37/05/27/819370527.db2.gz XPWSIGHHKXNWAV-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208811 819370529 /nfs/dbraw/zinc/37/05/29/819370529.db2.gz XPWSIGHHKXNWAV-OAHLLOKOSA-N 2 2 266.816 3.222 20 0 CGADLP C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214164 819375376 /nfs/dbraw/zinc/37/53/76/819375376.db2.gz CMXVCXBFWVHUEN-LSDHHAIUSA-N 2 2 258.365 3.135 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236214164 819375381 /nfs/dbraw/zinc/37/53/81/819375381.db2.gz CMXVCXBFWVHUEN-LSDHHAIUSA-N 2 2 258.365 3.135 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236236370 819396340 /nfs/dbraw/zinc/39/63/40/819396340.db2.gz JUHYYYVTNVCJEX-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001236236370 819396348 /nfs/dbraw/zinc/39/63/48/819396348.db2.gz JUHYYYVTNVCJEX-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP COc1c(C)cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236238272 819398021 /nfs/dbraw/zinc/39/80/21/819398021.db2.gz BGAAYMFZRRAITG-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP COc1c(C)cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236238272 819398028 /nfs/dbraw/zinc/39/80/28/819398028.db2.gz BGAAYMFZRRAITG-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001236240976 819399939 /nfs/dbraw/zinc/39/99/39/819399939.db2.gz OCCRAQPGUBIDFG-GOSISDBHSA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001236240976 819399945 /nfs/dbraw/zinc/39/99/45/819399945.db2.gz OCCRAQPGUBIDFG-GOSISDBHSA-N 2 2 284.447 3.282 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236245141 819403117 /nfs/dbraw/zinc/40/31/17/819403117.db2.gz KACZNHBNEKQTDA-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001236245141 819403119 /nfs/dbraw/zinc/40/31/19/819403119.db2.gz KACZNHBNEKQTDA-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236412830 819458602 /nfs/dbraw/zinc/45/86/02/819458602.db2.gz YTESLCKJIPCUPW-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)cc1F)C[C@H]1CC[NH2+]C1 ZINC001236412830 819458607 /nfs/dbraw/zinc/45/86/07/819458607.db2.gz YTESLCKJIPCUPW-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236422522 819468958 /nfs/dbraw/zinc/46/89/58/819468958.db2.gz XRISTCOTZGQGRK-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236422522 819468961 /nfs/dbraw/zinc/46/89/61/819468961.db2.gz XRISTCOTZGQGRK-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236422526 819469171 /nfs/dbraw/zinc/46/91/71/819469171.db2.gz XRISTCOTZGQGRK-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236422526 819469176 /nfs/dbraw/zinc/46/91/76/819469176.db2.gz XRISTCOTZGQGRK-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001236435059 819478738 /nfs/dbraw/zinc/47/87/38/819478738.db2.gz RALQGXHYJKYSNR-QGZVFWFLSA-N 2 2 278.415 3.247 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001236435059 819478743 /nfs/dbraw/zinc/47/87/43/819478743.db2.gz RALQGXHYJKYSNR-QGZVFWFLSA-N 2 2 278.415 3.247 20 0 CGADLP Cc1c(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001236476516 819494352 /nfs/dbraw/zinc/49/43/52/819494352.db2.gz YOZVKKYJPXTFPC-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc(F)c1F ZINC001236476516 819494356 /nfs/dbraw/zinc/49/43/56/819494356.db2.gz YOZVKKYJPXTFPC-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475849 819494486 /nfs/dbraw/zinc/49/44/86/819494486.db2.gz ZIVBUEXDBNCXMJ-CQSZACIVSA-N 2 2 282.378 3.175 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475849 819494490 /nfs/dbraw/zinc/49/44/90/819494490.db2.gz ZIVBUEXDBNCXMJ-CQSZACIVSA-N 2 2 282.378 3.175 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521550 819514377 /nfs/dbraw/zinc/51/43/77/819514377.db2.gz DYHMKACAIPCWAU-FUHWJXTLSA-N 2 2 272.436 3.440 20 0 CGADLP CC1=C[C@H](C)[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC001236521550 819514381 /nfs/dbraw/zinc/51/43/81/819514381.db2.gz DYHMKACAIPCWAU-FUHWJXTLSA-N 2 2 272.436 3.440 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236525719 819517143 /nfs/dbraw/zinc/51/71/43/819517143.db2.gz BTRLAGHPDZWZSJ-LJQANCHMSA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236525719 819517146 /nfs/dbraw/zinc/51/71/46/819517146.db2.gz BTRLAGHPDZWZSJ-LJQANCHMSA-N 2 2 295.430 3.321 20 0 CGADLP c1csc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236645759 819560304 /nfs/dbraw/zinc/56/03/04/819560304.db2.gz BJKLUMRYTLTTNZ-CQSZACIVSA-N 2 2 264.438 3.245 20 0 CGADLP c1csc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236645759 819560308 /nfs/dbraw/zinc/56/03/08/819560308.db2.gz BJKLUMRYTLTTNZ-CQSZACIVSA-N 2 2 264.438 3.245 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc2cc(OC)ccc2s1 ZINC001236884830 819630281 /nfs/dbraw/zinc/63/02/81/819630281.db2.gz USZHIFYUHDKQHR-LBPRGKRZSA-N 2 2 278.421 3.079 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc2cc(OC)ccc2s1 ZINC001236884830 819630286 /nfs/dbraw/zinc/63/02/86/819630286.db2.gz USZHIFYUHDKQHR-LBPRGKRZSA-N 2 2 278.421 3.079 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(F)c3ccoc32)CC1 ZINC001236891444 819632161 /nfs/dbraw/zinc/63/21/61/819632161.db2.gz UOYZXMYHTYBVKW-UHFFFAOYSA-N 2 2 276.355 3.098 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236903371 819634422 /nfs/dbraw/zinc/63/44/22/819634422.db2.gz AOEKYCBKVDIECB-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2ccoc21)C1CC[NH+](C)CC1 ZINC001236903371 819634423 /nfs/dbraw/zinc/63/44/23/819634423.db2.gz AOEKYCBKVDIECB-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP Cc1sccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160218 819684543 /nfs/dbraw/zinc/68/45/43/819684543.db2.gz HRGRAXZOHSYNCW-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160218 819684546 /nfs/dbraw/zinc/68/45/46/819684546.db2.gz HRGRAXZOHSYNCW-OAHLLOKOSA-N 2 2 264.438 3.163 20 0 CGADLP COc1cc(C)cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158500 819684606 /nfs/dbraw/zinc/68/46/06/819684606.db2.gz YVYKQPUPGKIPPG-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158500 819684610 /nfs/dbraw/zinc/68/46/10/819684610.db2.gz YVYKQPUPGKIPPG-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237402614 819744590 /nfs/dbraw/zinc/74/45/90/819744590.db2.gz ISDGHLXMCLIECR-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237402614 819744591 /nfs/dbraw/zinc/74/45/91/819744591.db2.gz ISDGHLXMCLIECR-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C1CC1 ZINC001237417097 819748646 /nfs/dbraw/zinc/74/86/46/819748646.db2.gz SQHNDQQLVFQYGE-YJBOKZPZSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C1CC1 ZINC001237417097 819748654 /nfs/dbraw/zinc/74/86/54/819748654.db2.gz SQHNDQQLVFQYGE-YJBOKZPZSA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCOC4(CC4)C3)cc21 ZINC001237888900 819871615 /nfs/dbraw/zinc/87/16/15/819871615.db2.gz GXXVTMCSDDUEDC-UHFFFAOYSA-N 2 2 298.430 3.053 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCOC4(CC4)C3)cc21 ZINC001237888900 819871629 /nfs/dbraw/zinc/87/16/29/819871629.db2.gz GXXVTMCSDDUEDC-UHFFFAOYSA-N 2 2 298.430 3.053 20 0 CGADLP Cc1ccc(O)cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001238102042 819934328 /nfs/dbraw/zinc/93/43/28/819934328.db2.gz ZDNFNPPLAQFMNW-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP C[N@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238503917 820030394 /nfs/dbraw/zinc/03/03/94/820030394.db2.gz QBZHRUVHUKIIMH-UHFFFAOYSA-N 2 2 276.399 3.229 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(C2CC2)c1)C1CC[NH+](C)CC1 ZINC001238503917 820030404 /nfs/dbraw/zinc/03/04/04/820030404.db2.gz QBZHRUVHUKIIMH-UHFFFAOYSA-N 2 2 276.399 3.229 20 0 CGADLP C(=C/c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1)\c1ccccc1 ZINC001239594262 820441972 /nfs/dbraw/zinc/44/19/72/820441972.db2.gz RUXJMZJOJCQTHS-VOTSOKGWSA-N 2 2 275.355 3.192 20 0 CGADLP CCc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239744714 820566540 /nfs/dbraw/zinc/56/65/40/820566540.db2.gz GDYFPRMGFCHJIE-QGZVFWFLSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239744714 820566547 /nfs/dbraw/zinc/56/65/47/820566547.db2.gz GDYFPRMGFCHJIE-QGZVFWFLSA-N 2 2 280.415 3.449 20 0 CGADLP c1cn2cc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)ccc2[nH+]1 ZINC001240219773 820894768 /nfs/dbraw/zinc/89/47/68/820894768.db2.gz VDGJRUDYPJJMAW-INIZCTEOSA-N 2 2 263.344 3.426 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 ZINC001240797526 821340398 /nfs/dbraw/zinc/34/03/98/821340398.db2.gz HRVXILXVFYLOOU-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 ZINC001240797526 821340407 /nfs/dbraw/zinc/34/04/07/821340407.db2.gz HRVXILXVFYLOOU-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4cc[nH]c4c3)c2)C1 ZINC001240797854 821341848 /nfs/dbraw/zinc/34/18/48/821341848.db2.gz NTTSLZBBECPXOK-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4cc[nH]c4c3)c2)C1 ZINC001240797854 821341858 /nfs/dbraw/zinc/34/18/58/821341858.db2.gz NTTSLZBBECPXOK-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[NH+](C)C)c(F)c1 ZINC001241250915 821672514 /nfs/dbraw/zinc/67/25/14/821672514.db2.gz DEESWDGUQKXMSZ-UHFFFAOYSA-N 2 2 287.382 3.324 20 0 CGADLP Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc(C)[nH+]1 ZINC001241993829 822263814 /nfs/dbraw/zinc/26/38/14/822263814.db2.gz FAXSNVUXKMYRAW-UHFFFAOYSA-N 3 2 295.430 3.289 20 0 CGADLP CCc1ccc(NCCCCn2cc[nH+]c2C)[nH+]c1 ZINC001339589683 936378396 /nfs/dbraw/zinc/37/83/96/936378396.db2.gz PWIKOHYDGQEXBL-UHFFFAOYSA-N 2 2 258.369 3.041 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC001342766067 936478582 /nfs/dbraw/zinc/47/85/82/936478582.db2.gz FVROPRUTFAPLBQ-GXTWGEPZSA-N 2 2 298.390 3.341 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001351559778 937019710 /nfs/dbraw/zinc/01/97/10/937019710.db2.gz VJJCBQXQNAXSFA-MRXNPFEDSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COCC1(C)C)c1ccccc1 ZINC001353583381 937070393 /nfs/dbraw/zinc/07/03/93/937070393.db2.gz FYDVKXWVITYGGF-GOEBONIOSA-N 2 2 290.451 3.130 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001550130551 927789510 /nfs/dbraw/zinc/78/95/10/927789510.db2.gz ZDIHNTKPVMFMSE-OAHLLOKOSA-N 2 2 273.424 3.180 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001550130551 927789518 /nfs/dbraw/zinc/78/95/18/927789518.db2.gz ZDIHNTKPVMFMSE-OAHLLOKOSA-N 2 2 273.424 3.180 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001474626931 937207823 /nfs/dbraw/zinc/20/78/23/937207823.db2.gz WDUYJVKXEOENHZ-XIRDDKMYSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929678 937238833 /nfs/dbraw/zinc/23/88/33/937238833.db2.gz GJCDAHGRUGSNMP-HRCADAONSA-N 2 2 252.446 3.131 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC001461261938 928752279 /nfs/dbraw/zinc/75/22/79/928752279.db2.gz ZFUMTKFXQLCRPX-IAGOWNOFSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC001461261938 928752287 /nfs/dbraw/zinc/75/22/87/928752287.db2.gz ZFUMTKFXQLCRPX-IAGOWNOFSA-N 2 2 284.488 3.149 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)[NH+](C)C)cc1C ZINC001308254244 928870474 /nfs/dbraw/zinc/87/04/74/928870474.db2.gz QFXFIKGPZXUQOM-KXPUMZMLSA-N 2 2 260.425 3.165 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC)c1C ZINC001459628046 937493789 /nfs/dbraw/zinc/49/37/89/937493789.db2.gz AKDPYDYQFWBQOE-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC)c1C ZINC001459628046 937493792 /nfs/dbraw/zinc/49/37/92/937493792.db2.gz AKDPYDYQFWBQOE-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)c1C ZINC001459628046 937493794 /nfs/dbraw/zinc/49/37/94/937493794.db2.gz AKDPYDYQFWBQOE-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC)c1C ZINC001459628046 937493797 /nfs/dbraw/zinc/49/37/97/937493797.db2.gz AKDPYDYQFWBQOE-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC001460144525 937518518 /nfs/dbraw/zinc/51/85/18/937518518.db2.gz NBALWUBYIQYLRP-AKNDPVLGSA-N 2 2 264.457 3.133 20 0 CGADLP Cc1cc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c(C)s1 ZINC001460563823 937535652 /nfs/dbraw/zinc/53/56/52/937535652.db2.gz ZZISVTPVFHZEPV-HOTGVXAUSA-N 2 2 278.465 3.139 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001461128651 937565558 /nfs/dbraw/zinc/56/55/58/937565558.db2.gz LRCZLSNJOZJFAK-INIZCTEOSA-N 2 2 262.441 3.185 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC001461128651 937565560 /nfs/dbraw/zinc/56/55/60/937565560.db2.gz LRCZLSNJOZJFAK-INIZCTEOSA-N 2 2 262.441 3.185 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461570073 937586366 /nfs/dbraw/zinc/58/63/66/937586366.db2.gz BHUDWLCDONYRRP-HOTGVXAUSA-N 2 2 272.436 3.428 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001461570073 937586367 /nfs/dbraw/zinc/58/63/67/937586367.db2.gz BHUDWLCDONYRRP-HOTGVXAUSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001462444889 937641883 /nfs/dbraw/zinc/64/18/83/937641883.db2.gz QIODOCTUKODSGQ-LZWOXQAQSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001462444889 937641886 /nfs/dbraw/zinc/64/18/86/937641886.db2.gz QIODOCTUKODSGQ-LZWOXQAQSA-N 2 2 252.446 3.418 20 0 CGADLP CCS[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307752767 932996138 /nfs/dbraw/zinc/99/61/38/932996138.db2.gz BCXHYKZCFVHGRY-QKPAOTATSA-N 2 2 284.513 3.228 20 0 CGADLP CCS[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307752767 932996143 /nfs/dbraw/zinc/99/61/43/932996143.db2.gz BCXHYKZCFVHGRY-QKPAOTATSA-N 2 2 284.513 3.228 20 0 CGADLP CSc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978387 933028223 /nfs/dbraw/zinc/02/82/23/933028223.db2.gz OGLAUINOARYFMU-CALCHBBNSA-N 2 2 290.476 3.182 20 0 CGADLP CSc1ccccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978387 933028226 /nfs/dbraw/zinc/02/82/26/933028226.db2.gz OGLAUINOARYFMU-CALCHBBNSA-N 2 2 290.476 3.182 20 0 CGADLP CSc1ccccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001307978387 933028231 /nfs/dbraw/zinc/02/82/31/933028231.db2.gz OGLAUINOARYFMU-CALCHBBNSA-N 2 2 290.476 3.182 20 0 CGADLP CSc1ccccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001307978387 933028235 /nfs/dbraw/zinc/02/82/35/933028235.db2.gz OGLAUINOARYFMU-CALCHBBNSA-N 2 2 290.476 3.182 20 0 CGADLP Cc1ncccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308032687 933037162 /nfs/dbraw/zinc/03/71/62/933037162.db2.gz HLXKCGJDAAZGME-GOSISDBHSA-N 2 2 292.386 3.118 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC001308175911 933066357 /nfs/dbraw/zinc/06/63/57/933066357.db2.gz CPTKMOXOYSWUBK-KRWDZBQOSA-N 2 2 298.430 3.422 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC001308175911 933066362 /nfs/dbraw/zinc/06/63/62/933066362.db2.gz CPTKMOXOYSWUBK-KRWDZBQOSA-N 2 2 298.430 3.422 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC001308261678 933083369 /nfs/dbraw/zinc/08/33/69/933083369.db2.gz SSUASTGKCKTOKR-JKSUJKDBSA-N 2 2 290.451 3.132 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC001308726489 933165775 /nfs/dbraw/zinc/16/57/75/933165775.db2.gz HBRKONRCCXAETA-BRWVUGGUSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC001308726489 933165780 /nfs/dbraw/zinc/16/57/80/933165780.db2.gz HBRKONRCCXAETA-BRWVUGGUSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1c[nH+]c2ccccc2c1NCCCNc1cccc[nH+]1 ZINC001319794161 933932608 /nfs/dbraw/zinc/93/26/08/933932608.db2.gz UAXRINRTSUOUQE-UHFFFAOYSA-N 2 2 292.386 3.274 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1C(C)(C)C1(C)C ZINC001322233643 934260807 /nfs/dbraw/zinc/26/08/07/934260807.db2.gz MFSJIRNCBYCUMD-UHFFFAOYSA-N 2 2 298.390 3.196 20 0 CGADLP CCc1cccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001473689920 937817787 /nfs/dbraw/zinc/81/77/87/937817787.db2.gz RWWPWJBINLHPKT-QZTJIDSGSA-N 2 2 272.436 3.023 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)c(F)c1 ZINC001332401197 935465682 /nfs/dbraw/zinc/46/56/82/935465682.db2.gz KPZFBIGRMJSQST-OVEHXKJFSA-N 2 2 294.801 3.126 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001336735746 936211880 /nfs/dbraw/zinc/21/18/80/936211880.db2.gz OJACTQRYEUNINR-WFASDCNBSA-N 2 2 278.440 3.458 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001336735746 936211884 /nfs/dbraw/zinc/21/18/84/936211884.db2.gz OJACTQRYEUNINR-WFASDCNBSA-N 2 2 278.440 3.458 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](CCCc2ccsc2)CC1 ZINC001473895040 937828532 /nfs/dbraw/zinc/82/85/32/937828532.db2.gz YAOOWZPOJWPWTN-UHFFFAOYSA-N 2 2 289.448 3.294 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001474000185 937834971 /nfs/dbraw/zinc/83/49/71/937834971.db2.gz VNQBJJWLHOYJAX-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001474000185 937834973 /nfs/dbraw/zinc/83/49/73/937834973.db2.gz VNQBJJWLHOYJAX-RRFJBIMHSA-N 2 2 270.486 3.125 20 0 CGADLP CCCCOc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC001474223603 937844796 /nfs/dbraw/zinc/84/47/96/937844796.db2.gz OLJQNOATTTZPLG-HNNXBMFYSA-N 2 2 278.440 3.295 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001474231376 937845264 /nfs/dbraw/zinc/84/52/64/937845264.db2.gz XKHZKZSZFYKCBK-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001474231376 937845267 /nfs/dbraw/zinc/84/52/67/937845267.db2.gz XKHZKZSZFYKCBK-GOSISDBHSA-N 2 2 272.436 3.410 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H](C)C1 ZINC001474575087 937868295 /nfs/dbraw/zinc/86/82/95/937868295.db2.gz AEKGJMGUVXIIIK-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H](C)C1 ZINC001474575087 937868297 /nfs/dbraw/zinc/86/82/97/937868297.db2.gz AEKGJMGUVXIIIK-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP COCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCC1 ZINC001474671674 937874007 /nfs/dbraw/zinc/87/40/07/937874007.db2.gz WSWMWWHXXGVZOZ-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP COCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCC1 ZINC001474671674 937874009 /nfs/dbraw/zinc/87/40/09/937874009.db2.gz WSWMWWHXXGVZOZ-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1Cl ZINC001474671650 937874088 /nfs/dbraw/zinc/87/40/88/937874088.db2.gz ZTDRETRKRDBMLP-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC001474671650 937874090 /nfs/dbraw/zinc/87/40/90/937874090.db2.gz ZTDRETRKRDBMLP-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1Cl ZINC001474671650 937874092 /nfs/dbraw/zinc/87/40/92/937874092.db2.gz ZTDRETRKRDBMLP-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1Cl ZINC001474671650 937874094 /nfs/dbraw/zinc/87/40/94/937874094.db2.gz ZTDRETRKRDBMLP-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccncc1 ZINC001549336672 938156522 /nfs/dbraw/zinc/15/65/22/938156522.db2.gz KBRVYWOBULXGRY-QYZOEREBSA-N 2 2 295.430 3.268 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(C)n1 ZINC001550130489 938162977 /nfs/dbraw/zinc/16/29/77/938162977.db2.gz VZCQPHLEFHMDMR-INIZCTEOSA-N 2 2 298.434 3.120 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c(C)n1 ZINC001550130489 938162978 /nfs/dbraw/zinc/16/29/78/938162978.db2.gz VZCQPHLEFHMDMR-INIZCTEOSA-N 2 2 298.434 3.120 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001550130514 938163048 /nfs/dbraw/zinc/16/30/48/938163048.db2.gz XYMWUYTUAORPJA-KGLIPLIRSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001550130514 938163049 /nfs/dbraw/zinc/16/30/49/938163049.db2.gz XYMWUYTUAORPJA-KGLIPLIRSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC001550298464 938165065 /nfs/dbraw/zinc/16/50/65/938165065.db2.gz RORCOBOFEFROSC-QQNRWZHASA-N 2 2 299.393 3.452 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC001550298464 938165066 /nfs/dbraw/zinc/16/50/66/938165066.db2.gz RORCOBOFEFROSC-QQNRWZHASA-N 2 2 299.393 3.452 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551402906 938181881 /nfs/dbraw/zinc/18/18/81/938181881.db2.gz QAYQDNJUXRWLDS-OALUTQOASA-N 2 2 296.414 3.188 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001552313357 938191029 /nfs/dbraw/zinc/19/10/29/938191029.db2.gz GBLDQADLUQPDQT-XUWVNRHRSA-N 2 2 268.420 3.121 20 0 CGADLP F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001552313357 938191030 /nfs/dbraw/zinc/19/10/30/938191030.db2.gz GBLDQADLUQPDQT-XUWVNRHRSA-N 2 2 268.420 3.121 20 0 CGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccncc1 ZINC001560484141 938259991 /nfs/dbraw/zinc/25/99/91/938259991.db2.gz YFLFAGPQPDDOMZ-UHFFFAOYSA-N 2 2 298.777 3.211 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560530993 938261793 /nfs/dbraw/zinc/26/17/93/938261793.db2.gz QNUXGRFZYTZKEY-MSOLQXFVSA-N 2 2 286.463 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560530993 938261795 /nfs/dbraw/zinc/26/17/95/938261795.db2.gz QNUXGRFZYTZKEY-MSOLQXFVSA-N 2 2 286.463 3.396 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560530995 938262036 /nfs/dbraw/zinc/26/20/36/938262036.db2.gz QNUXGRFZYTZKEY-ROUUACIJSA-N 2 2 286.463 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560530995 938262038 /nfs/dbraw/zinc/26/20/38/938262038.db2.gz QNUXGRFZYTZKEY-ROUUACIJSA-N 2 2 286.463 3.396 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1C ZINC001560909352 938283225 /nfs/dbraw/zinc/28/32/25/938283225.db2.gz ROIGAFJFTMZVBJ-NQNKBUKLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H]1C ZINC001560909352 938283226 /nfs/dbraw/zinc/28/32/26/938283226.db2.gz ROIGAFJFTMZVBJ-NQNKBUKLSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944385 938285719 /nfs/dbraw/zinc/28/57/19/938285719.db2.gz DRNIYSVVVIDDIF-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944385 938285720 /nfs/dbraw/zinc/28/57/20/938285720.db2.gz DRNIYSVVVIDDIF-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001579393534 960483910 /nfs/dbraw/zinc/48/39/10/960483910.db2.gz YQNXKAJMCYXULU-YRGRVCCFSA-N 2 2 264.438 3.200 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC001575581498 962395295 /nfs/dbraw/zinc/39/52/95/962395295.db2.gz RBRXPBHJSICUPL-KRWDZBQOSA-N 2 2 290.451 3.342 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC001575581503 962397858 /nfs/dbraw/zinc/39/78/58/962397858.db2.gz RBRXPBHJSICUPL-QGZVFWFLSA-N 2 2 290.451 3.342 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCCCC1 ZINC001576249827 962453150 /nfs/dbraw/zinc/45/31/50/962453150.db2.gz AVXKCWKTXQXELT-CSMYWGQOSA-N 2 2 258.409 3.170 20 0 CGADLP C[N@H+](CCOc1cc(Cl)cc(Cl)c1)CC(C)(C)[NH3+] ZINC001578477008 962591785 /nfs/dbraw/zinc/59/17/85/962591785.db2.gz GKYCLQNQRHDKPC-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CC(C)(C)[NH3+] ZINC001578477008 962591799 /nfs/dbraw/zinc/59/17/99/962591799.db2.gz GKYCLQNQRHDKPC-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCSC1CCCCC1 ZINC001578736746 962595995 /nfs/dbraw/zinc/59/59/95/962595995.db2.gz CGBCFERVPZUGSN-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCSC1CCCCC1 ZINC001578736746 962596008 /nfs/dbraw/zinc/59/60/08/962596008.db2.gz CGBCFERVPZUGSN-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP COCc1ccccc1/C=C(/C)C[N@H+](C)C1(C[NH3+])CCC1 ZINC001579093724 962608355 /nfs/dbraw/zinc/60/83/55/962608355.db2.gz JGJLEAWZHSHFJR-PTNGSMBKSA-N 2 2 288.435 3.050 20 0 CGADLP COCc1ccccc1/C=C(/C)C[N@@H+](C)C1(C[NH3+])CCC1 ZINC001579093724 962608365 /nfs/dbraw/zinc/60/83/65/962608365.db2.gz JGJLEAWZHSHFJR-PTNGSMBKSA-N 2 2 288.435 3.050 20 0 CGADLP COc1ccc(C[C@H](C)C[N@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC001579206871 962610844 /nfs/dbraw/zinc/61/08/44/962610844.db2.gz ZDARDQICHLEYHT-HNNXBMFYSA-N 2 2 292.467 3.194 20 0 CGADLP COc1ccc(C[C@H](C)C[N@@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC001579206871 962610852 /nfs/dbraw/zinc/61/08/52/962610852.db2.gz ZDARDQICHLEYHT-HNNXBMFYSA-N 2 2 292.467 3.194 20 0 CGADLP [NH3+]CC[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001580311387 962716933 /nfs/dbraw/zinc/71/69/33/962716933.db2.gz RVKMBJHJSUGDPM-ZDUSSCGKSA-N 2 2 274.433 3.115 20 0 CGADLP [NH3+]CC[N@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001580311387 962716952 /nfs/dbraw/zinc/71/69/52/962716952.db2.gz RVKMBJHJSUGDPM-ZDUSSCGKSA-N 2 2 274.433 3.115 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124437819 187137502 /nfs/dbraw/zinc/13/75/02/187137502.db2.gz YYCLDYUXMLAFPW-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124437819 187137503 /nfs/dbraw/zinc/13/75/03/187137503.db2.gz YYCLDYUXMLAFPW-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000621345153 349503385 /nfs/dbraw/zinc/50/33/85/349503385.db2.gz DVPNCLDYDAOBFL-GFCCVEGCSA-N 2 2 275.421 3.002 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)oc1C ZINC000337485660 214113569 /nfs/dbraw/zinc/11/35/69/214113569.db2.gz SHJLIBPFCYGZAZ-HUUCEWRRSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)oc1C ZINC000337485660 214113570 /nfs/dbraw/zinc/11/35/70/214113570.db2.gz SHJLIBPFCYGZAZ-HUUCEWRRSA-N 2 2 294.439 3.048 20 0 CGADLP c1cn(CCCC[NH2+][C@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000651197302 398213241 /nfs/dbraw/zinc/21/32/41/398213241.db2.gz LBEQVUYEZQEJIL-INIZCTEOSA-N 2 2 261.413 3.222 20 0 CGADLP CCc1cc(OC)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000337529173 214139066 /nfs/dbraw/zinc/13/90/66/214139066.db2.gz CEHXTPCTNSVEBO-UHFFFAOYSA-N 2 2 290.451 3.220 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337659233 214202488 /nfs/dbraw/zinc/20/24/88/214202488.db2.gz KJVGTZFOSHVHNV-QGZVFWFLSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337659233 214202489 /nfs/dbraw/zinc/20/24/89/214202489.db2.gz KJVGTZFOSHVHNV-QGZVFWFLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651650062 398262521 /nfs/dbraw/zinc/26/25/21/398262521.db2.gz AXPIHBKSWAKWHF-KXBFYZLASA-N 2 2 295.430 3.455 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651650062 398262526 /nfs/dbraw/zinc/26/25/26/398262526.db2.gz AXPIHBKSWAKWHF-KXBFYZLASA-N 2 2 295.430 3.455 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651735065 398277994 /nfs/dbraw/zinc/27/79/94/398277994.db2.gz FHUPGPMWGIXEGR-BFJAYTPKSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651735065 398277995 /nfs/dbraw/zinc/27/79/95/398277995.db2.gz FHUPGPMWGIXEGR-BFJAYTPKSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1F ZINC000337949835 214326937 /nfs/dbraw/zinc/32/69/37/214326937.db2.gz KJIWOUVDNUBIEX-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000651911534 398306363 /nfs/dbraw/zinc/30/63/63/398306363.db2.gz DPCPHRLWUDUXOV-UKTARXLSSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+]1C1CC1 ZINC000651911534 398306367 /nfs/dbraw/zinc/30/63/67/398306367.db2.gz DPCPHRLWUDUXOV-UKTARXLSSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000651929142 398308607 /nfs/dbraw/zinc/30/86/07/398308607.db2.gz DXBYLNFCICVGHA-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338019932 214364299 /nfs/dbraw/zinc/36/42/99/214364299.db2.gz RDTLOOFFRBXHAC-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338019932 214364300 /nfs/dbraw/zinc/36/43/00/214364300.db2.gz RDTLOOFFRBXHAC-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP CC[C@H](F)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000440500449 529438665 /nfs/dbraw/zinc/43/86/65/529438665.db2.gz BWXPHRMVIBXBIP-JSGCOSHPSA-N 2 2 261.344 3.271 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423369368 529498570 /nfs/dbraw/zinc/49/85/70/529498570.db2.gz ONULSKMTJCBUSF-RYUDHWBXSA-N 2 2 260.381 3.301 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423459101 529568359 /nfs/dbraw/zinc/56/83/59/529568359.db2.gz HPTLPDVVGONGHC-GXSJLCMTSA-N 2 2 269.458 3.137 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423476945 529568821 /nfs/dbraw/zinc/56/88/21/529568821.db2.gz SXGMYHCJSOGWNM-SJORKVTESA-N 2 2 272.367 3.242 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(Cl)ccc1OC ZINC000423333706 529591490 /nfs/dbraw/zinc/59/14/90/529591490.db2.gz SCMMENNQELKPTJ-ZDUSSCGKSA-N 2 2 282.815 3.271 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414079590 529585225 /nfs/dbraw/zinc/58/52/25/529585225.db2.gz TUBHTKHUWCMYFL-JLSDUUJJSA-N 2 2 287.451 3.070 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000423382574 529610857 /nfs/dbraw/zinc/61/08/57/529610857.db2.gz GMBNRDZXFHNTOU-MFKMUULPSA-N 2 2 290.329 3.234 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1cc(Cl)ccc1OC ZINC000359498143 529601696 /nfs/dbraw/zinc/60/16/96/529601696.db2.gz BTFSPEBTULVDPP-HNNXBMFYSA-N 2 2 296.842 3.485 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC000451265744 282207607 /nfs/dbraw/zinc/20/76/07/282207607.db2.gz XLULRYIOAYYRPW-UHFFFAOYSA-N 2 2 283.419 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC000451265744 282207608 /nfs/dbraw/zinc/20/76/08/282207608.db2.gz XLULRYIOAYYRPW-UHFFFAOYSA-N 2 2 283.419 3.337 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423439805 529617001 /nfs/dbraw/zinc/61/70/01/529617001.db2.gz VMMBQLOJZHGQAE-JKSUJKDBSA-N 2 2 296.842 3.149 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423238657 529619340 /nfs/dbraw/zinc/61/93/40/529619340.db2.gz ALESEHPOZNUKDX-GJZGRUSLSA-N 2 2 260.406 3.489 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623353423 349786497 /nfs/dbraw/zinc/78/64/97/349786497.db2.gz LBJQSFJBNWHRRJ-DLBZAZTESA-N 3 2 297.531 3.205 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353423 349786500 /nfs/dbraw/zinc/78/65/00/349786500.db2.gz LBJQSFJBNWHRRJ-DLBZAZTESA-N 3 2 297.531 3.205 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368104251 529672707 /nfs/dbraw/zinc/67/27/07/529672707.db2.gz DESHQRVOBWZXOB-KBPBESRZSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368104251 529672708 /nfs/dbraw/zinc/67/27/08/529672708.db2.gz DESHQRVOBWZXOB-KBPBESRZSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000423354348 529673365 /nfs/dbraw/zinc/67/33/65/529673365.db2.gz CTCSMXHVQTWWLV-UGFHNGPFSA-N 2 2 266.816 3.379 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000623384739 349796256 /nfs/dbraw/zinc/79/62/56/349796256.db2.gz GXQPUEHNSAXYKO-NSHDSACASA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000623384739 349796259 /nfs/dbraw/zinc/79/62/59/349796259.db2.gz GXQPUEHNSAXYKO-NSHDSACASA-N 2 2 284.806 3.442 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915782 346946803 /nfs/dbraw/zinc/94/68/03/346946803.db2.gz OSOHUTXGTOTAOV-LYLYKKCESA-N 2 2 267.376 3.233 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915782 346946805 /nfs/dbraw/zinc/94/68/05/346946805.db2.gz OSOHUTXGTOTAOV-LYLYKKCESA-N 2 2 267.376 3.233 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561731 349835223 /nfs/dbraw/zinc/83/52/23/349835223.db2.gz XIWVWYBILZQOIT-SRQBIAJPSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000623561731 349835225 /nfs/dbraw/zinc/83/52/25/349835225.db2.gz XIWVWYBILZQOIT-SRQBIAJPSA-N 2 2 262.441 3.028 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728277 349871730 /nfs/dbraw/zinc/87/17/30/349871730.db2.gz GDUJHHCNMAMUJZ-WHLIDYPQSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728277 349871736 /nfs/dbraw/zinc/87/17/36/349871736.db2.gz GDUJHHCNMAMUJZ-WHLIDYPQSA-N 2 2 288.410 3.445 20 0 CGADLP C/C=C/C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000623739780 349874719 /nfs/dbraw/zinc/87/47/19/349874719.db2.gz FZYRAESRTDJYCD-NSCUHMNNSA-N 2 2 278.827 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751710 349877662 /nfs/dbraw/zinc/87/76/62/349877662.db2.gz JYHMMURNEWWAPZ-RLCCDNCMSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751710 349877665 /nfs/dbraw/zinc/87/76/65/349877665.db2.gz JYHMMURNEWWAPZ-RLCCDNCMSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623853163 349896109 /nfs/dbraw/zinc/89/61/09/349896109.db2.gz OOSOJCDFTMGVJU-UONOGXRCSA-N 2 2 293.480 3.375 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623853163 349896113 /nfs/dbraw/zinc/89/61/13/349896113.db2.gz OOSOJCDFTMGVJU-UONOGXRCSA-N 2 2 293.480 3.375 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623888787 349906190 /nfs/dbraw/zinc/90/61/90/349906190.db2.gz UUHOIYJYFHKSIR-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623888787 349906194 /nfs/dbraw/zinc/90/61/94/349906194.db2.gz UUHOIYJYFHKSIR-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423227183 529978959 /nfs/dbraw/zinc/97/89/59/529978959.db2.gz UTBPQUTUNHAIEO-SECBINFHSA-N 2 2 281.450 3.050 20 0 CGADLP C[NH2+]CC[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000423223216 529979243 /nfs/dbraw/zinc/97/92/43/529979243.db2.gz FLEGFJKQSXRWPZ-OAHLLOKOSA-N 2 2 274.433 3.149 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423277949 529999328 /nfs/dbraw/zinc/99/93/28/529999328.db2.gz QORNEXULFUPENI-STQMWFEESA-N 2 2 289.448 3.316 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436285656 530057770 /nfs/dbraw/zinc/05/77/70/530057770.db2.gz FPYZTCFENGVZBK-OKZBNKHCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436285656 530057771 /nfs/dbraw/zinc/05/77/71/530057771.db2.gz FPYZTCFENGVZBK-OKZBNKHCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436285662 530057861 /nfs/dbraw/zinc/05/78/61/530057861.db2.gz FPYZTCFENGVZBK-RCCFBDPRSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436285662 530057862 /nfs/dbraw/zinc/05/78/62/530057862.db2.gz FPYZTCFENGVZBK-RCCFBDPRSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000040418837 344962449 /nfs/dbraw/zinc/96/24/49/344962449.db2.gz YCSZZWGYJOLUGF-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cccc3cccnc32)c[nH+]1 ZINC000044353166 345008658 /nfs/dbraw/zinc/00/86/58/345008658.db2.gz NHTJPRUGCWIZQU-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859238 345419068 /nfs/dbraw/zinc/41/90/68/345419068.db2.gz SIYYAGVFXXJWFU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859238 345419069 /nfs/dbraw/zinc/41/90/69/345419069.db2.gz SIYYAGVFXXJWFU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859238 345419070 /nfs/dbraw/zinc/41/90/70/345419070.db2.gz SIYYAGVFXXJWFU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000072859238 345419072 /nfs/dbraw/zinc/41/90/72/345419072.db2.gz SIYYAGVFXXJWFU-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](C)CC1(C[NH2+][C@@H]2CCCc3scnc32)CCCC1 ZINC000623960440 349928803 /nfs/dbraw/zinc/92/88/03/349928803.db2.gz XIKHTLPQXRQYRV-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000154582335 232219284 /nfs/dbraw/zinc/21/92/84/232219284.db2.gz WAGNNJHJORBBME-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1C(F)(F)F ZINC000154582335 232219286 /nfs/dbraw/zinc/21/92/86/232219286.db2.gz WAGNNJHJORBBME-RYUDHWBXSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154606993 232219390 /nfs/dbraw/zinc/21/93/90/232219390.db2.gz KBUMVKPXWLGURE-DGCLKSJQSA-N 2 2 295.496 3.494 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154606993 232219392 /nfs/dbraw/zinc/21/93/92/232219392.db2.gz KBUMVKPXWLGURE-DGCLKSJQSA-N 2 2 295.496 3.494 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000080959829 345692022 /nfs/dbraw/zinc/69/20/22/345692022.db2.gz TUJHALUOXYMHSW-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000080959829 345692024 /nfs/dbraw/zinc/69/20/24/345692024.db2.gz TUJHALUOXYMHSW-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP CC(C)C[C@H](CNc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000085655205 345747027 /nfs/dbraw/zinc/74/70/27/345747027.db2.gz MKJGQYLMZCXCDB-CYBMUJFWSA-N 2 2 272.396 3.018 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000090846709 345795523 /nfs/dbraw/zinc/79/55/23/345795523.db2.gz SIBGKHZVNJBSCE-HNNXBMFYSA-N 2 2 283.419 3.349 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000092741143 345855860 /nfs/dbraw/zinc/85/58/60/345855860.db2.gz ITGLUEOLMUKTNR-GFCCVEGCSA-N 2 2 298.365 3.380 20 0 CGADLP c1cn(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000161867252 232252093 /nfs/dbraw/zinc/25/20/93/232252093.db2.gz JTMJNPAAFQRQRD-IBGZPJMESA-N 2 2 291.398 3.457 20 0 CGADLP c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000116998828 345980800 /nfs/dbraw/zinc/98/08/00/345980800.db2.gz RXRHHGKKCQDLSC-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000237081586 346343665 /nfs/dbraw/zinc/34/36/65/346343665.db2.gz IAYVPRRVKXEPIV-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000237081586 346343668 /nfs/dbraw/zinc/34/36/68/346343668.db2.gz IAYVPRRVKXEPIV-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000250443675 346385471 /nfs/dbraw/zinc/38/54/71/346385471.db2.gz SBIQQDSRAKTQHQ-HZPDHXFCSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000250443675 346385474 /nfs/dbraw/zinc/38/54/74/346385474.db2.gz SBIQQDSRAKTQHQ-HZPDHXFCSA-N 2 2 278.465 3.417 20 0 CGADLP CSCC1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000385392813 346566357 /nfs/dbraw/zinc/56/63/57/346566357.db2.gz BNJDEJYLDCNPJK-UHFFFAOYSA-N 2 2 281.469 3.175 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427875769 282519643 /nfs/dbraw/zinc/51/96/43/282519643.db2.gz UJPKSHRPVSYSBF-HIFRSBDPSA-N 2 2 287.794 3.128 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000625139421 350132578 /nfs/dbraw/zinc/13/25/78/350132578.db2.gz DDFXCSUFDTUCIP-CYBMUJFWSA-N 2 2 291.782 3.079 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000271282881 191048213 /nfs/dbraw/zinc/04/82/13/191048213.db2.gz PQFSPSDIMWNOHI-WMLDXEAASA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C[C@H]1n1cc[nH+]c1 ZINC000271282881 191048215 /nfs/dbraw/zinc/04/82/15/191048215.db2.gz PQFSPSDIMWNOHI-WMLDXEAASA-N 2 2 294.402 3.448 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C1CC1)C1CC1 ZINC000625840984 350218404 /nfs/dbraw/zinc/21/84/04/350218404.db2.gz BCSXZYFMOPJXTD-UHFFFAOYSA-N 2 2 267.376 3.308 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@@]1(C)CCCS1)Cc1ccccc1 ZINC000628199825 350437593 /nfs/dbraw/zinc/43/75/93/350437593.db2.gz KCDWHVMLEYEJJH-DLBZAZTESA-N 2 2 292.492 3.035 20 0 CGADLP c1nc(C2CC2)oc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000628181895 350426460 /nfs/dbraw/zinc/42/64/60/350426460.db2.gz VLRYZFRLNZPMAS-OAHLLOKOSA-N 2 2 289.423 3.002 20 0 CGADLP c1nc(C2CC2)oc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000628181895 350426464 /nfs/dbraw/zinc/42/64/64/350426464.db2.gz VLRYZFRLNZPMAS-OAHLLOKOSA-N 2 2 289.423 3.002 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628477519 350548290 /nfs/dbraw/zinc/54/82/90/350548290.db2.gz ZBRPFEIRJREMQC-PREGVCBESA-N 2 2 288.435 3.102 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628477519 350548292 /nfs/dbraw/zinc/54/82/92/350548292.db2.gz ZBRPFEIRJREMQC-PREGVCBESA-N 2 2 288.435 3.102 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000629526384 350702041 /nfs/dbraw/zinc/70/20/41/350702041.db2.gz SEPHAPTZUYGKRE-DDTOSNHZSA-N 2 2 282.428 3.339 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000629526837 350702094 /nfs/dbraw/zinc/70/20/94/350702094.db2.gz ASKRQUKWVPWCEL-XHSDSOJGSA-N 2 2 282.378 3.392 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000629526201 350702113 /nfs/dbraw/zinc/70/21/13/350702113.db2.gz MYYPYYCSVCVFCH-RVSPLBMKSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C[NH2+]1 ZINC000629535386 350705160 /nfs/dbraw/zinc/70/51/60/350705160.db2.gz CEEZRMUGMAUGLG-IIYDPXPESA-N 2 2 283.419 3.275 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629535125 350705202 /nfs/dbraw/zinc/70/52/02/350705202.db2.gz BPXOKQGUFLPKPI-HOSILWTGSA-N 2 2 258.409 3.273 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[C@H](C)[NH2+]C3)oc21 ZINC000629538518 350706524 /nfs/dbraw/zinc/70/65/24/350706524.db2.gz MNFOYMBFPWPVOV-SGMGOOAPSA-N 2 2 288.391 3.233 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000629542278 350707716 /nfs/dbraw/zinc/70/77/16/350707716.db2.gz DAIDKBICHUGNBM-AXAPSJFSSA-N 2 2 282.378 3.392 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000629543089 350708468 /nfs/dbraw/zinc/70/84/68/350708468.db2.gz SLWYDDIDEPKJFC-JMSVASOKSA-N 2 2 250.361 3.007 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc21 ZINC000629544311 350709266 /nfs/dbraw/zinc/70/92/66/350709266.db2.gz JIMGHKCHLDBBNF-OUCADQQQSA-N 2 2 288.391 3.233 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc2cc1C ZINC000629548463 350709973 /nfs/dbraw/zinc/70/99/73/350709973.db2.gz OYFNIVHXDKARQD-KCQAQPDRSA-N 2 2 272.392 3.451 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCCC2)o1 ZINC000629546600 350710327 /nfs/dbraw/zinc/71/03/27/350710327.db2.gz UCEPWJBHPXVMCR-JGGQBBKZSA-N 2 2 262.397 3.159 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585103 350714834 /nfs/dbraw/zinc/71/48/34/350714834.db2.gz KCRAIGMJRZGYAD-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585103 350714837 /nfs/dbraw/zinc/71/48/37/350714837.db2.gz KCRAIGMJRZGYAD-WQVCFCJDSA-N 2 2 278.827 3.332 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000629390579 350687525 /nfs/dbraw/zinc/68/75/25/350687525.db2.gz ISSOSIMPQXIUPJ-DLBZAZTESA-N 2 2 254.377 3.070 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000629390541 350687719 /nfs/dbraw/zinc/68/77/19/350687719.db2.gz SEBQMLDJMZITMO-QWHCGFSZSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000629396977 350688366 /nfs/dbraw/zinc/68/83/66/350688366.db2.gz RWQXZQWVMAYKNO-GXSJLCMTSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)C[NH2+]1 ZINC000629396391 350688611 /nfs/dbraw/zinc/68/86/11/350688611.db2.gz LMVXKESDHWRCJB-GOEBONIOSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629407319 350689236 /nfs/dbraw/zinc/68/92/36/350689236.db2.gz XPWDHUMFESAEKH-QPUJVOFHSA-N 2 2 292.732 3.199 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000629516847 350699821 /nfs/dbraw/zinc/69/98/21/350699821.db2.gz SJXQMZZHNXDQMZ-MLGOLLRUSA-N 2 2 294.826 3.010 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629524297 350701379 /nfs/dbraw/zinc/70/13/79/350701379.db2.gz QWHHHJZGGHDTOK-NEPJUHHUSA-N 2 2 264.756 3.056 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000631054490 350938069 /nfs/dbraw/zinc/93/80/69/350938069.db2.gz QZCDKDBBMMZJHY-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccsc2C(F)(F)F)n1C ZINC000631188553 350984067 /nfs/dbraw/zinc/98/40/67/350984067.db2.gz RQUPOJUHVUNIOV-UHFFFAOYSA-N 2 2 289.326 3.099 20 0 CGADLP C[N@H+](CCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21)C1CC1 ZINC000631305226 351021594 /nfs/dbraw/zinc/02/15/94/351021594.db2.gz RNGDKAOCPNCMPM-UHFFFAOYSA-N 2 2 299.422 3.073 20 0 CGADLP C[N@@H+](CCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21)C1CC1 ZINC000631305226 351021596 /nfs/dbraw/zinc/02/15/96/351021596.db2.gz RNGDKAOCPNCMPM-UHFFFAOYSA-N 2 2 299.422 3.073 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1([NH+](C)C)CC1 ZINC000631640955 351101950 /nfs/dbraw/zinc/10/19/50/351101950.db2.gz GQHTYTMIRVCQCB-CQSZACIVSA-N 2 2 285.435 3.173 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C)ccn1 ZINC000631568741 351069626 /nfs/dbraw/zinc/06/96/26/351069626.db2.gz XUXIJLWSXQHPIP-KRWDZBQOSA-N 2 2 287.451 3.448 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccn1 ZINC000631631504 351096849 /nfs/dbraw/zinc/09/68/49/351096849.db2.gz WWROGZDWQAHSSJ-UKRRQHHQSA-N 2 2 284.407 3.101 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccn1 ZINC000631631504 351096851 /nfs/dbraw/zinc/09/68/51/351096851.db2.gz WWROGZDWQAHSSJ-UKRRQHHQSA-N 2 2 284.407 3.101 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991610 351619819 /nfs/dbraw/zinc/61/98/19/351619819.db2.gz KURWLDZNIGQJDL-XIKARTHZSA-N 2 2 298.352 3.450 20 0 CGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991610 351619823 /nfs/dbraw/zinc/61/98/23/351619823.db2.gz KURWLDZNIGQJDL-XIKARTHZSA-N 2 2 298.352 3.450 20 0 CGADLP C[C@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000122860152 187056049 /nfs/dbraw/zinc/05/60/49/187056049.db2.gz NQSQWEMSXOQIMK-RDJZCZTQSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000122860152 187056050 /nfs/dbraw/zinc/05/60/50/187056050.db2.gz NQSQWEMSXOQIMK-RDJZCZTQSA-N 2 2 269.392 3.009 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000367368871 234208461 /nfs/dbraw/zinc/20/84/61/234208461.db2.gz XUMUQNBDVZJDIR-NVXWUHKLSA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000367368871 234208466 /nfs/dbraw/zinc/20/84/66/234208466.db2.gz XUMUQNBDVZJDIR-NVXWUHKLSA-N 2 2 299.418 3.156 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)c(F)c1 ZINC000367367870 234208917 /nfs/dbraw/zinc/20/89/17/234208917.db2.gz OFCSGZVBKGXFKX-NSHDSACASA-N 2 2 291.345 3.348 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367368808 234209187 /nfs/dbraw/zinc/20/91/87/234209187.db2.gz XDVNYDUPFIHYBS-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439129 234214817 /nfs/dbraw/zinc/21/48/17/234214817.db2.gz ROUQAGSCQRGBHH-NSHDSACASA-N 2 2 291.420 3.140 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098281 234280393 /nfs/dbraw/zinc/28/03/93/234280393.db2.gz BILSYPHNCGPYTC-SOZUMNATSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098281 234280396 /nfs/dbraw/zinc/28/03/96/234280396.db2.gz BILSYPHNCGPYTC-SOZUMNATSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cnc2ccsc2c1 ZINC000154612179 188153383 /nfs/dbraw/zinc/15/33/83/188153383.db2.gz UKSWHJMARLYWLL-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cnc2ccsc2c1 ZINC000154612179 188153384 /nfs/dbraw/zinc/15/33/84/188153384.db2.gz UKSWHJMARLYWLL-YPMHNXCESA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NCc3c[nH+]cn3C)cc2)C1 ZINC000156106210 188243268 /nfs/dbraw/zinc/24/32/68/188243268.db2.gz YUPAWXOOUGTBBJ-OAHLLOKOSA-N 2 2 298.434 3.264 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c[nH+]cn3C)cc2)C1 ZINC000156106210 188243269 /nfs/dbraw/zinc/24/32/69/188243269.db2.gz YUPAWXOOUGTBBJ-OAHLLOKOSA-N 2 2 298.434 3.264 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000156420395 188261371 /nfs/dbraw/zinc/26/13/71/188261371.db2.gz MQGXFODGFIWMCI-WFASDCNBSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000156420395 188261372 /nfs/dbraw/zinc/26/13/72/188261372.db2.gz MQGXFODGFIWMCI-WFASDCNBSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156422865 188261418 /nfs/dbraw/zinc/26/14/18/188261418.db2.gz RDZMBMBSPSROQN-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H]1CC[N@@H+](CCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156422865 188261420 /nfs/dbraw/zinc/26/14/20/188261420.db2.gz RDZMBMBSPSROQN-WMZOPIPTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000156589952 188270937 /nfs/dbraw/zinc/27/09/37/188270937.db2.gz FLVPHVCPGCXJIT-AWEZNQCLSA-N 2 2 270.380 3.020 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000157427246 188316980 /nfs/dbraw/zinc/31/69/80/188316980.db2.gz MAYMPMORSGPRHI-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000157427246 188316981 /nfs/dbraw/zinc/31/69/81/188316981.db2.gz MAYMPMORSGPRHI-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157426271 188317370 /nfs/dbraw/zinc/31/73/70/188317370.db2.gz BNZOVGGTIUHGFV-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157426271 188317371 /nfs/dbraw/zinc/31/73/71/188317371.db2.gz BNZOVGGTIUHGFV-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)n2c1 ZINC000157668684 188331348 /nfs/dbraw/zinc/33/13/48/188331348.db2.gz SMIVBSVCYBTZLH-HNNXBMFYSA-N 2 2 299.418 3.224 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423300331 282905687 /nfs/dbraw/zinc/90/56/87/282905687.db2.gz RHAMSCUJQXDKMO-GJZGRUSLSA-N 2 2 278.444 3.138 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158845562 188397409 /nfs/dbraw/zinc/39/74/09/188397409.db2.gz JLWFOBCYEHOGFF-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158845562 188397411 /nfs/dbraw/zinc/39/74/11/188397411.db2.gz JLWFOBCYEHOGFF-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158845562 188397412 /nfs/dbraw/zinc/39/74/12/188397412.db2.gz JLWFOBCYEHOGFF-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158845562 188397413 /nfs/dbraw/zinc/39/74/13/188397413.db2.gz JLWFOBCYEHOGFF-OGHNNQOOSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](Cc1ccccc1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372272610 234555656 /nfs/dbraw/zinc/55/56/56/234555656.db2.gz IIOKURILSCIPDT-OAHLLOKOSA-N 2 2 283.419 3.468 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000061377407 137929717 /nfs/dbraw/zinc/92/97/17/137929717.db2.gz ICJIQJXVGNHILB-KRWDZBQOSA-N 2 2 292.467 3.332 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000061377407 137929719 /nfs/dbraw/zinc/92/97/19/137929719.db2.gz ICJIQJXVGNHILB-KRWDZBQOSA-N 2 2 292.467 3.332 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2CC(c3ccccc3)C2)[nH+]1 ZINC000271899360 191397167 /nfs/dbraw/zinc/39/71/67/191397167.db2.gz VEUGJJLCLHBSBG-UHFFFAOYSA-N 2 2 277.371 3.370 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000271862750 191374925 /nfs/dbraw/zinc/37/49/25/191374925.db2.gz ULGKIDTVSIENSA-LRDDRELGSA-N 2 2 273.355 3.078 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000414112805 235338611 /nfs/dbraw/zinc/33/86/11/235338611.db2.gz NKKRJYBRXNXISD-KKUMJFAQSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000414112805 235338614 /nfs/dbraw/zinc/33/86/14/235338614.db2.gz NKKRJYBRXNXISD-KKUMJFAQSA-N 2 2 288.435 3.279 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414291132 235380603 /nfs/dbraw/zinc/38/06/03/235380603.db2.gz XLTZKCNGUOUISK-JYYAWHABSA-N 2 2 299.418 3.336 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127741438 138390931 /nfs/dbraw/zinc/39/09/31/138390931.db2.gz YPZAYICWHLSPSC-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000482080289 535359247 /nfs/dbraw/zinc/35/92/47/535359247.db2.gz JDCCOJBLPGVAJR-IAGOWNOFSA-N 2 2 282.472 3.021 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000482080289 535359253 /nfs/dbraw/zinc/35/92/53/535359253.db2.gz JDCCOJBLPGVAJR-IAGOWNOFSA-N 2 2 282.472 3.021 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000423232942 236004046 /nfs/dbraw/zinc/00/40/46/236004046.db2.gz CUXZWVILMNHSFT-IAGOWNOFSA-N 2 2 270.351 3.103 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000423236008 236005624 /nfs/dbraw/zinc/00/56/24/236005624.db2.gz HBUUNAOPOGAAEL-BLLLJJGKSA-N 2 2 288.366 3.185 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)c1ccccc1 ZINC000423237028 236005710 /nfs/dbraw/zinc/00/57/10/236005710.db2.gz HWAUCBOYSUEYAB-DLBZAZTESA-N 2 2 282.387 3.190 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1CCc2ccccc2CC1)c1ccccc1 ZINC000423243863 236007606 /nfs/dbraw/zinc/00/76/06/236007606.db2.gz GROWUWYQBSNRBA-IBGZPJMESA-N 2 2 280.415 3.224 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000423252584 236009561 /nfs/dbraw/zinc/00/95/61/236009561.db2.gz XRTXUZFOHXNTNO-OALUTQOASA-N 2 2 280.415 3.297 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)o1 ZINC000423254031 236009872 /nfs/dbraw/zinc/00/98/72/236009872.db2.gz ZPOCEWCVIWANEE-LRDDRELGSA-N 2 2 258.365 3.247 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)cc1 ZINC000423327912 236039841 /nfs/dbraw/zinc/03/98/41/236039841.db2.gz NGZFDVSYXWIUPP-SFHVURJKSA-N 2 2 296.414 3.256 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CC2 ZINC000423382339 236057663 /nfs/dbraw/zinc/05/76/63/236057663.db2.gz ILTBJYALNUBSBR-IRXDYDNUSA-N 2 2 288.435 3.050 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423542978 236096083 /nfs/dbraw/zinc/09/60/83/236096083.db2.gz BMZILQLXWVXIQK-GXTWGEPZSA-N 2 2 258.365 3.226 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423561796 236099233 /nfs/dbraw/zinc/09/92/33/236099233.db2.gz QDTXIOVUHIFHQT-FZMZJTMJSA-N 2 2 252.789 3.133 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424271897 236139638 /nfs/dbraw/zinc/13/96/38/236139638.db2.gz STCPAXQSNHQEFX-OBRKIGFESA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424271897 236139640 /nfs/dbraw/zinc/13/96/40/236139640.db2.gz STCPAXQSNHQEFX-OBRKIGFESA-N 2 2 294.483 3.043 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427120133 236323245 /nfs/dbraw/zinc/32/32/45/236323245.db2.gz QCTNXGMBZJGSLY-SMDDNHRTSA-N 2 2 290.794 3.270 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427120133 236323246 /nfs/dbraw/zinc/32/32/46/236323246.db2.gz QCTNXGMBZJGSLY-SMDDNHRTSA-N 2 2 290.794 3.270 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000427856047 236350769 /nfs/dbraw/zinc/35/07/69/236350769.db2.gz UXKMHQUBUKIRPP-KSSFIOAISA-N 2 2 295.430 3.428 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000353970980 283342926 /nfs/dbraw/zinc/34/29/26/283342926.db2.gz HLVMRGOZUDUHIN-HOTGVXAUSA-N 2 2 289.467 3.278 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000353970980 283342931 /nfs/dbraw/zinc/34/29/31/283342931.db2.gz HLVMRGOZUDUHIN-HOTGVXAUSA-N 2 2 289.467 3.278 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000294771208 199175771 /nfs/dbraw/zinc/17/57/71/199175771.db2.gz MVSCHCYDWVKQDP-LJQANCHMSA-N 2 2 295.430 3.317 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@@H+]1C1CC1 ZINC000449195551 291148212 /nfs/dbraw/zinc/14/82/12/291148212.db2.gz ZISSOWHTRYANCV-XSEXMBABSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@H+]1C1CC1 ZINC000449195551 291148215 /nfs/dbraw/zinc/14/82/15/291148215.db2.gz ZISSOWHTRYANCV-XSEXMBABSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000119305975 370664739 /nfs/dbraw/zinc/66/47/39/370664739.db2.gz UYHQMUZTWMWGIW-MFNRNEDNSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000119305975 370664741 /nfs/dbraw/zinc/66/47/41/370664741.db2.gz UYHQMUZTWMWGIW-MFNRNEDNSA-N 2 2 270.420 3.147 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000294894546 199236280 /nfs/dbraw/zinc/23/62/80/199236280.db2.gz YPFUWDBTTDKDKI-SWLSCSKDSA-N 2 2 289.448 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294944364 199263296 /nfs/dbraw/zinc/26/32/96/199263296.db2.gz BTWMYBSAUXJQLE-HEHGZKQESA-N 2 2 287.432 3.274 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303365 237076695 /nfs/dbraw/zinc/07/66/95/237076695.db2.gz BBRUYTWQZZSJJA-WZTLGTBRSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000436303365 237076705 /nfs/dbraw/zinc/07/67/05/237076705.db2.gz BBRUYTWQZZSJJA-WZTLGTBRSA-N 2 2 288.410 3.144 20 0 CGADLP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341813802 216113732 /nfs/dbraw/zinc/11/37/32/216113732.db2.gz SDZAYGWXJKCQCC-CQSZACIVSA-N 2 2 257.381 3.349 20 0 CGADLP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341813802 216113735 /nfs/dbraw/zinc/11/37/35/216113735.db2.gz SDZAYGWXJKCQCC-CQSZACIVSA-N 2 2 257.381 3.349 20 0 CGADLP FC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000342201868 216259228 /nfs/dbraw/zinc/25/92/28/216259228.db2.gz GOJYNIKHYZBCCD-UHFFFAOYSA-N 2 2 279.384 3.306 20 0 CGADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336484679 291252965 /nfs/dbraw/zinc/25/29/65/291252965.db2.gz UHPAVGGIGLEMJI-DYVFJYSZSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182947627 189340799 /nfs/dbraw/zinc/34/07/99/189340799.db2.gz OAZWBEVUIMZVFH-ZDUSSCGKSA-N 2 2 259.353 3.092 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182947627 189340800 /nfs/dbraw/zinc/34/08/00/189340800.db2.gz OAZWBEVUIMZVFH-ZDUSSCGKSA-N 2 2 259.353 3.092 20 0 CGADLP Cc1cc[nH+]c(NCc2ccc(C)[nH+]c2N2CCCC2)c1 ZINC000302052979 201323170 /nfs/dbraw/zinc/32/31/70/201323170.db2.gz OZQICXUVFCQQPY-UHFFFAOYSA-N 2 2 282.391 3.306 20 0 CGADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000449061397 239149431 /nfs/dbraw/zinc/14/94/31/239149431.db2.gz ILVFHCOEMGFWMV-GDBMZVCRSA-N 2 2 289.810 3.462 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CCCn1cc[nH+]c1 ZINC000449065653 239155225 /nfs/dbraw/zinc/15/52/25/239155225.db2.gz VENZKSLORKRGEU-CQSZACIVSA-N 2 2 283.375 3.240 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134433 239198013 /nfs/dbraw/zinc/19/80/13/239198013.db2.gz JEJMZAZSDZBILA-NEPJUHHUSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134433 239198019 /nfs/dbraw/zinc/19/80/19/239198019.db2.gz JEJMZAZSDZBILA-NEPJUHHUSA-N 2 2 282.378 3.141 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000119904434 370722220 /nfs/dbraw/zinc/72/22/20/370722220.db2.gz QVFJOPHNWLCMTB-QLFBSQMISA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000119904434 370722226 /nfs/dbraw/zinc/72/22/26/370722226.db2.gz QVFJOPHNWLCMTB-QLFBSQMISA-N 2 2 296.480 3.288 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119972234 370727514 /nfs/dbraw/zinc/72/75/14/370727514.db2.gz GMDMECKVZUNVGK-ZACQAIPSSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000450828467 240103039 /nfs/dbraw/zinc/10/30/39/240103039.db2.gz LNLVSJRLBDLFEU-VQIMIIECSA-N 2 2 299.462 3.382 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC000450828467 240103043 /nfs/dbraw/zinc/10/30/43/240103043.db2.gz LNLVSJRLBDLFEU-VQIMIIECSA-N 2 2 299.462 3.382 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275551699 193073849 /nfs/dbraw/zinc/07/38/49/193073849.db2.gz CHOLSLAHHWGECS-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275551699 193073850 /nfs/dbraw/zinc/07/38/50/193073850.db2.gz CHOLSLAHHWGECS-INIZCTEOSA-N 2 2 269.392 3.352 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000459366430 242092170 /nfs/dbraw/zinc/09/21/70/242092170.db2.gz NCHYZOQXJGURGG-GFCCVEGCSA-N 2 2 296.817 3.361 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000459366430 242092171 /nfs/dbraw/zinc/09/21/71/242092171.db2.gz NCHYZOQXJGURGG-GFCCVEGCSA-N 2 2 296.817 3.361 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000459655929 242164552 /nfs/dbraw/zinc/16/45/52/242164552.db2.gz GTAVPTRMFFSIIF-OLZOCXBDSA-N 2 2 291.826 3.398 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@H]1C ZINC000459673395 242172756 /nfs/dbraw/zinc/17/27/56/242172756.db2.gz YQPBJSWKHUKBKW-YCPHGPKFSA-N 2 2 263.429 3.013 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1Cl ZINC000462816234 242366394 /nfs/dbraw/zinc/36/63/94/242366394.db2.gz FIZCFJHIGUQHJC-SUMWQHHRSA-N 2 2 292.854 3.263 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1Cl ZINC000462816234 242366399 /nfs/dbraw/zinc/36/63/99/242366399.db2.gz FIZCFJHIGUQHJC-SUMWQHHRSA-N 2 2 292.854 3.263 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000462831384 242368154 /nfs/dbraw/zinc/36/81/54/242368154.db2.gz BLRVJVNQDNWZSX-HNNXBMFYSA-N 2 2 278.465 3.311 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000462831384 242368156 /nfs/dbraw/zinc/36/81/56/242368156.db2.gz BLRVJVNQDNWZSX-HNNXBMFYSA-N 2 2 278.465 3.311 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccco1 ZINC000423519741 296118626 /nfs/dbraw/zinc/11/86/26/296118626.db2.gz DOMSXEOJLOLIOM-VQGSXZNQSA-N 2 2 274.408 3.084 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000480017391 243134124 /nfs/dbraw/zinc/13/41/24/243134124.db2.gz PAMAZDVPUKOQFM-ZDUSSCGKSA-N 2 2 296.842 3.485 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000480163156 243139663 /nfs/dbraw/zinc/13/96/63/243139663.db2.gz WIJBSAGGCAPMQB-QGTPRVQTSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000480163156 243139667 /nfs/dbraw/zinc/13/96/67/243139667.db2.gz WIJBSAGGCAPMQB-QGTPRVQTSA-N 2 2 290.451 3.322 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+](C)C(C)C ZINC000482089171 243215804 /nfs/dbraw/zinc/21/58/04/243215804.db2.gz PHDAQZFFTCEFQW-KRWDZBQOSA-N 2 2 280.431 3.323 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000482089171 243215808 /nfs/dbraw/zinc/21/58/08/243215808.db2.gz PHDAQZFFTCEFQW-KRWDZBQOSA-N 2 2 280.431 3.323 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000482440413 243225173 /nfs/dbraw/zinc/22/51/73/243225173.db2.gz QKZQTLPOHMOMGA-QGTPRVQTSA-N 2 2 272.436 3.458 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000482440413 243225177 /nfs/dbraw/zinc/22/51/77/243225177.db2.gz QKZQTLPOHMOMGA-QGTPRVQTSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)C)cc1 ZINC000482486055 243228101 /nfs/dbraw/zinc/22/81/01/243228101.db2.gz BONVOYGJFBOCQX-WBVHZDCISA-N 2 2 262.441 3.102 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996777 369048787 /nfs/dbraw/zinc/04/87/87/369048787.db2.gz BDKBCWFHSKWPRI-HUUCEWRRSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996777 369048789 /nfs/dbraw/zinc/04/87/89/369048789.db2.gz BDKBCWFHSKWPRI-HUUCEWRRSA-N 2 2 264.800 3.056 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000035009524 368987729 /nfs/dbraw/zinc/98/77/29/368987729.db2.gz VBGZPOZSATUDMU-FUHWJXTLSA-N 2 2 270.420 3.207 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000035009524 368987734 /nfs/dbraw/zinc/98/77/34/368987734.db2.gz VBGZPOZSATUDMU-FUHWJXTLSA-N 2 2 270.420 3.207 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000037158072 369073017 /nfs/dbraw/zinc/07/30/17/369073017.db2.gz COVQUIOXKYMGPK-GOEBONIOSA-N 2 2 257.381 3.321 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cs1 ZINC000038041999 369142197 /nfs/dbraw/zinc/14/21/97/369142197.db2.gz ZFNHNHDCCBVQEF-OLZOCXBDSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000538552457 288577165 /nfs/dbraw/zinc/57/71/65/288577165.db2.gz QJRDVRYZNPDFKX-CYBMUJFWSA-N 2 2 267.376 3.466 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684042 369264985 /nfs/dbraw/zinc/26/49/85/369264985.db2.gz OSVHIAHSZBZERM-CYBMUJFWSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684042 369264993 /nfs/dbraw/zinc/26/49/93/369264993.db2.gz OSVHIAHSZBZERM-CYBMUJFWSA-N 2 2 284.325 3.032 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000494426763 244288214 /nfs/dbraw/zinc/28/82/14/244288214.db2.gz CMWFJNRARSGARE-JONQDZQNSA-N 2 2 275.440 3.248 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C ZINC000494587419 244302185 /nfs/dbraw/zinc/30/21/85/244302185.db2.gz SQAQQMKTLWLAMD-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C ZINC000494587419 244302190 /nfs/dbraw/zinc/30/21/90/244302190.db2.gz SQAQQMKTLWLAMD-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000495059210 244351705 /nfs/dbraw/zinc/35/17/05/244351705.db2.gz LXXLPVQWDZENEO-XJKCOSOUSA-N 2 2 255.365 3.006 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C ZINC000495108146 244357689 /nfs/dbraw/zinc/35/76/89/244357689.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C ZINC000495108146 244357691 /nfs/dbraw/zinc/35/76/91/244357691.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C ZINC000495108146 244357694 /nfs/dbraw/zinc/35/76/94/244357694.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1C ZINC000495108146 244357697 /nfs/dbraw/zinc/35/76/97/244357697.db2.gz LFYFLARGOJOHNT-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419044 369469251 /nfs/dbraw/zinc/46/92/51/369469251.db2.gz FUQPBBPSIYDMBL-QGZVFWFLSA-N 2 2 260.425 3.067 20 0 CGADLP CC(C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419044 369469252 /nfs/dbraw/zinc/46/92/52/369469252.db2.gz FUQPBBPSIYDMBL-QGZVFWFLSA-N 2 2 260.425 3.067 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000057993894 369551059 /nfs/dbraw/zinc/55/10/59/369551059.db2.gz VNMARAURVZRGBY-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191991 369641950 /nfs/dbraw/zinc/64/19/50/369641950.db2.gz FHNCVDJEBCEOTH-RHSMWYFYSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191991 369641957 /nfs/dbraw/zinc/64/19/57/369641957.db2.gz FHNCVDJEBCEOTH-RHSMWYFYSA-N 2 2 276.424 3.176 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194756 369643214 /nfs/dbraw/zinc/64/32/14/369643214.db2.gz YMOMMZSDZZQNLK-MLGOLLRUSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000063194756 369643216 /nfs/dbraw/zinc/64/32/16/369643216.db2.gz YMOMMZSDZZQNLK-MLGOLLRUSA-N 2 2 287.382 3.076 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000070149507 369782593 /nfs/dbraw/zinc/78/25/93/369782593.db2.gz XLVLFPYFZFHAJS-INIZCTEOSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000070149507 369782599 /nfs/dbraw/zinc/78/25/99/369782599.db2.gz XLVLFPYFZFHAJS-INIZCTEOSA-N 2 2 285.391 3.045 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000090720791 370065153 /nfs/dbraw/zinc/06/51/53/370065153.db2.gz ZQZARHKLAQECIQ-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000090720791 370065157 /nfs/dbraw/zinc/06/51/57/370065157.db2.gz ZQZARHKLAQECIQ-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563627 370141269 /nfs/dbraw/zinc/14/12/69/370141269.db2.gz RTIWMQGAOQNNQC-QGZVFWFLSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563627 370141271 /nfs/dbraw/zinc/14/12/71/370141271.db2.gz RTIWMQGAOQNNQC-QGZVFWFLSA-N 2 2 294.389 3.415 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770385 370157319 /nfs/dbraw/zinc/15/73/19/370157319.db2.gz RLZILHFKNLCFCQ-OFQRWUPVSA-N 2 2 276.424 3.177 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770385 370157324 /nfs/dbraw/zinc/15/73/24/370157324.db2.gz RLZILHFKNLCFCQ-OFQRWUPVSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770385 370157331 /nfs/dbraw/zinc/15/73/31/370157331.db2.gz RLZILHFKNLCFCQ-OFQRWUPVSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000093770385 370157336 /nfs/dbraw/zinc/15/73/36/370157336.db2.gz RLZILHFKNLCFCQ-OFQRWUPVSA-N 2 2 276.424 3.177 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)[NH+]1CCCC1 ZINC000093942218 370164661 /nfs/dbraw/zinc/16/46/61/370164661.db2.gz MZUMJJXOKDXXGK-HOTGVXAUSA-N 2 2 289.467 3.278 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000097928530 370257579 /nfs/dbraw/zinc/25/75/79/370257579.db2.gz WTEDJPCQBIFWKU-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP c1coc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+]2CCCC2)c1 ZINC000110113683 370370199 /nfs/dbraw/zinc/37/01/99/370370199.db2.gz TZPQRDSPNPIVEN-CQSZACIVSA-N 2 2 298.390 3.196 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000112340058 370422351 /nfs/dbraw/zinc/42/23/51/370422351.db2.gz BBQZUXZCTAZGNG-VIFPVBQESA-N 2 2 285.269 3.159 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111242997 370394435 /nfs/dbraw/zinc/39/44/35/370394435.db2.gz KTTSNWSXUSUBLT-ZDUSSCGKSA-N 2 2 273.355 3.420 20 0 CGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000116380969 370558271 /nfs/dbraw/zinc/55/82/71/370558271.db2.gz CLVAWKCKTMFCBR-UHFFFAOYSA-N 2 2 298.415 3.354 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000118447165 370617054 /nfs/dbraw/zinc/61/70/54/370617054.db2.gz MWZYMZMJMZAJIL-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000331405138 203807456 /nfs/dbraw/zinc/80/74/56/203807456.db2.gz DZBXRXRACOLHGH-NEPJUHHUSA-N 2 2 281.469 3.190 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129620675 370996420 /nfs/dbraw/zinc/99/64/20/370996420.db2.gz KIVQVCHGPCXXAU-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129620675 370996424 /nfs/dbraw/zinc/99/64/24/370996424.db2.gz KIVQVCHGPCXXAU-JSGCOSHPSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000130067944 371010099 /nfs/dbraw/zinc/01/00/99/371010099.db2.gz XCMBBPJGCWWUGF-YWPYICTPSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000130067944 371010104 /nfs/dbraw/zinc/01/01/04/371010104.db2.gz XCMBBPJGCWWUGF-YWPYICTPSA-N 2 2 294.439 3.435 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000130205659 371018560 /nfs/dbraw/zinc/01/85/60/371018560.db2.gz FREWENPBSOIHNH-IAGOWNOFSA-N 2 2 269.392 3.199 20 0 CGADLP Clc1cccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000130699174 371053719 /nfs/dbraw/zinc/05/37/19/371053719.db2.gz KVCKAYYSGGNHSD-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1cccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000130699174 371053723 /nfs/dbraw/zinc/05/37/23/371053723.db2.gz KVCKAYYSGGNHSD-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP c1cn(CC[NH2+][C@H](c2ccccc2)C2CCC2)c[nH+]1 ZINC000131910628 371139229 /nfs/dbraw/zinc/13/92/29/371139229.db2.gz ANIZXHQDKCOBRX-MRXNPFEDSA-N 2 2 255.365 3.014 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545756 371115029 /nfs/dbraw/zinc/11/50/29/371115029.db2.gz UDCOHMWWSUBPKI-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545756 371115032 /nfs/dbraw/zinc/11/50/32/371115032.db2.gz UDCOHMWWSUBPKI-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP c1cn(CC[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000131766224 371129204 /nfs/dbraw/zinc/12/92/04/371129204.db2.gz WPYPMYICPXRQGF-MSOLQXFVSA-N 2 2 281.403 3.284 20 0 CGADLP c1cn(CC[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000131766224 371129212 /nfs/dbraw/zinc/12/92/12/371129212.db2.gz WPYPMYICPXRQGF-MSOLQXFVSA-N 2 2 281.403 3.284 20 0 CGADLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000013991316 541852885 /nfs/dbraw/zinc/85/28/85/541852885.db2.gz GKLRGEYSQUWMKJ-UHFFFAOYSA-N 2 2 287.382 3.325 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000133592151 371265563 /nfs/dbraw/zinc/26/55/63/371265563.db2.gz QXYNUZRSKCGHIU-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150062769 371531231 /nfs/dbraw/zinc/53/12/31/371531231.db2.gz FWQDLWQLMAPWMQ-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150062769 371531237 /nfs/dbraw/zinc/53/12/37/371531237.db2.gz FWQDLWQLMAPWMQ-AWEZNQCLSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831665 371541241 /nfs/dbraw/zinc/54/12/41/371541241.db2.gz JUHYADZFHKNQGF-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831665 371541246 /nfs/dbraw/zinc/54/12/46/371541246.db2.gz JUHYADZFHKNQGF-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421843076 371665447 /nfs/dbraw/zinc/66/54/47/371665447.db2.gz MFXDEGHGFYFFKC-LBPRGKRZSA-N 2 2 281.831 3.258 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654688 371621547 /nfs/dbraw/zinc/62/15/47/371621547.db2.gz NZEGNLMUXPHPND-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421818929 371640965 /nfs/dbraw/zinc/64/09/65/371640965.db2.gz DEPAQTXRJQXRQF-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421818929 371640970 /nfs/dbraw/zinc/64/09/70/371640970.db2.gz DEPAQTXRJQXRQF-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000152568233 371705825 /nfs/dbraw/zinc/70/58/25/371705825.db2.gz DITXYYQEBCPGNN-OAGGEKHMSA-N 2 2 294.439 3.066 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000152568233 371705832 /nfs/dbraw/zinc/70/58/32/371705832.db2.gz DITXYYQEBCPGNN-OAGGEKHMSA-N 2 2 294.439 3.066 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152785930 371723940 /nfs/dbraw/zinc/72/39/40/371723940.db2.gz XDPMLLWIXGVXLL-QGZVFWFLSA-N 2 2 299.393 3.178 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)F)c2ccccc2)CC[N@@H+]1C ZINC000421893702 371700826 /nfs/dbraw/zinc/70/08/26/371700826.db2.gz ZURQVXCEESJGGK-VHDGCEQUSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)F)c2ccccc2)CC[N@H+]1C ZINC000421893702 371700833 /nfs/dbraw/zinc/70/08/33/371700833.db2.gz ZURQVXCEESJGGK-VHDGCEQUSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1c[nH+]ccc1N ZINC000422754337 371786103 /nfs/dbraw/zinc/78/61/03/371786103.db2.gz GVOMWGDNMFXGSN-SNVBAGLBSA-N 2 2 295.308 3.364 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422825631 371830550 /nfs/dbraw/zinc/83/05/50/371830550.db2.gz JYKXKUIVSFZWTH-PBHICJAKSA-N 2 2 276.424 3.094 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836745 371833219 /nfs/dbraw/zinc/83/32/19/371833219.db2.gz RYMPKWLNGGPHJA-BNOWGMLFSA-N 2 2 298.377 3.469 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)Cc1ccccc1 ZINC000337366515 214033213 /nfs/dbraw/zinc/03/32/13/214033213.db2.gz PKNGDIMYFBSTHB-KURKYZTESA-N 2 2 272.436 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)Cc1ccccc1 ZINC000337366515 214033215 /nfs/dbraw/zinc/03/32/15/214033215.db2.gz PKNGDIMYFBSTHB-KURKYZTESA-N 2 2 272.436 3.287 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786946 371808894 /nfs/dbraw/zinc/80/88/94/371808894.db2.gz PIRYRUPROZBWDK-KCXAZCMYSA-N 2 2 296.842 3.148 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814819 371826663 /nfs/dbraw/zinc/82/66/63/371826663.db2.gz AGNLVZQJGMQULQ-YCPHGPKFSA-N 2 2 294.414 3.103 20 0 CGADLP CC(C)c1nnc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422866779 371845137 /nfs/dbraw/zinc/84/51/37/371845137.db2.gz RCCZGUFWPAKDST-CHWSQXEVSA-N 2 2 296.484 3.062 20 0 CGADLP CCOC1CC2(C1)CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000289897910 371848048 /nfs/dbraw/zinc/84/80/48/371848048.db2.gz WSCYISZTIJLLLK-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP CCOC1CC2(C1)CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000289897910 371848050 /nfs/dbraw/zinc/84/80/50/371848050.db2.gz WSCYISZTIJLLLK-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154521537 371852591 /nfs/dbraw/zinc/85/25/91/371852591.db2.gz JURBGAMGQSEGEF-NWDGAFQWSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154521537 371852600 /nfs/dbraw/zinc/85/26/00/371852600.db2.gz JURBGAMGQSEGEF-NWDGAFQWSA-N 2 2 286.872 3.406 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422885958 371853316 /nfs/dbraw/zinc/85/33/16/371853316.db2.gz ZSBFHAZEEWFMBV-KBPBESRZSA-N 2 2 270.779 3.099 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154557479 371854623 /nfs/dbraw/zinc/85/46/23/371854623.db2.gz JKDZBACEZUNWOH-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154557479 371854629 /nfs/dbraw/zinc/85/46/29/371854629.db2.gz JKDZBACEZUNWOH-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000154548932 371855831 /nfs/dbraw/zinc/85/58/31/371855831.db2.gz VOJRJFGZRSCDQA-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000154548932 371855836 /nfs/dbraw/zinc/85/58/36/371855836.db2.gz VOJRJFGZRSCDQA-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCO2 ZINC000154581069 371857866 /nfs/dbraw/zinc/85/78/66/371857866.db2.gz WPHUNZCRVKDJLC-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCO2 ZINC000154581069 371857871 /nfs/dbraw/zinc/85/78/71/371857871.db2.gz WPHUNZCRVKDJLC-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP FC(F)(F)Cn1cc[nH+]c1CNc1cc(C2CC2)cc[nH+]1 ZINC000289960468 371863338 /nfs/dbraw/zinc/86/33/38/371863338.db2.gz YEZWLMHOTNCSGS-UHFFFAOYSA-N 2 2 296.296 3.330 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289981075 371868992 /nfs/dbraw/zinc/86/89/92/371868992.db2.gz XWQKHQIIQNKVRW-ZIAGYGMSSA-N 2 2 280.375 3.171 20 0 CGADLP CCCCC1CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422935825 371879772 /nfs/dbraw/zinc/87/97/72/371879772.db2.gz DWNNWCCUFVCDEI-VXLLPVPCSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000422960014 371892806 /nfs/dbraw/zinc/89/28/06/371892806.db2.gz VEBCQPFUFBNANT-VXGBXAGGSA-N 2 2 287.432 3.069 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC=C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423064645 371943169 /nfs/dbraw/zinc/94/31/69/371943169.db2.gz ADTQWJDFEBCUJY-IAGOWNOFSA-N 2 2 274.408 3.044 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422985654 371904219 /nfs/dbraw/zinc/90/42/19/371904219.db2.gz FQUBIJZFNKQHMZ-NXHRZFHOSA-N 2 2 286.419 3.187 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423001071 371910261 /nfs/dbraw/zinc/91/02/61/371910261.db2.gz DDCFPGOIWUFXQN-BPUTZDHNSA-N 2 2 294.439 3.176 20 0 CGADLP CCCC[N@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000290142475 371914266 /nfs/dbraw/zinc/91/42/66/371914266.db2.gz VVRAJRUFAGHULH-UHFFFAOYSA-N 2 2 264.413 3.071 20 0 CGADLP CCCC[N@@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000290142475 371914277 /nfs/dbraw/zinc/91/42/77/371914277.db2.gz VVRAJRUFAGHULH-UHFFFAOYSA-N 2 2 264.413 3.071 20 0 CGADLP CC[C@H]([NH2+]Cc1c(C)oc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423046691 371931476 /nfs/dbraw/zinc/93/14/76/371931476.db2.gz FPPJBLFEZAYCIR-HOTGVXAUSA-N 2 2 272.392 3.361 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000290346387 371967742 /nfs/dbraw/zinc/96/77/42/371967742.db2.gz LPHWDHIPRCPJLD-IAGOWNOFSA-N 2 2 276.424 3.116 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423109655 371971636 /nfs/dbraw/zinc/97/16/36/371971636.db2.gz SUYYXSJWBLSIJT-KGLIPLIRSA-N 2 2 282.428 3.297 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000290374556 371976098 /nfs/dbraw/zinc/97/60/98/371976098.db2.gz ARTZTQPZVISEGS-SFHVURJKSA-N 2 2 296.414 3.224 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423122018 371976854 /nfs/dbraw/zinc/97/68/54/371976854.db2.gz BUJZPCWRUONCBD-GFCCVEGCSA-N 2 2 287.432 3.457 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000423172958 372002305 /nfs/dbraw/zinc/00/23/05/372002305.db2.gz WCQNAPHJGSXTIW-RBDSIQFVSA-N 2 2 296.817 3.455 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423128163 371981051 /nfs/dbraw/zinc/98/10/51/371981051.db2.gz KKVYSCPCZAKTTN-ZWKOTPCHSA-N 2 2 284.378 3.462 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423129858 371982420 /nfs/dbraw/zinc/98/24/20/371982420.db2.gz FVFBRONGAMITNP-SWLSCSKDSA-N 2 2 282.378 3.419 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000423135552 371985277 /nfs/dbraw/zinc/98/52/77/371985277.db2.gz UFOGNSUCQRWQHS-YUSALJHKSA-N 2 2 284.856 3.367 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nccs1 ZINC000423168982 371999557 /nfs/dbraw/zinc/99/95/57/371999557.db2.gz IHXQSSLOZORVSR-QEJZJMRPSA-N 2 2 287.432 3.287 20 0 CGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423076189 371949453 /nfs/dbraw/zinc/94/94/53/371949453.db2.gz YKBLQUQXVVBVEY-WBVHZDCISA-N 2 2 294.483 3.236 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083637 371951811 /nfs/dbraw/zinc/95/18/11/371951811.db2.gz ZDQIWBZFTPBTSG-DYVFJYSZSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423086214 371954404 /nfs/dbraw/zinc/95/44/04/371954404.db2.gz MKKYKTMYIYETNH-ZACQAIPSSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000290547038 372015374 /nfs/dbraw/zinc/01/53/74/372015374.db2.gz RPDRNAKIACPMLW-OAHLLOKOSA-N 2 2 289.398 3.365 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290547038 372015379 /nfs/dbraw/zinc/01/53/79/372015379.db2.gz RPDRNAKIACPMLW-OAHLLOKOSA-N 2 2 289.398 3.365 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Cl ZINC000290568562 372018093 /nfs/dbraw/zinc/01/80/93/372018093.db2.gz SYGAGHFTVBQKSH-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1sccc1Cl ZINC000290568562 372018098 /nfs/dbraw/zinc/01/80/98/372018098.db2.gz SYGAGHFTVBQKSH-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1sccc1Cl ZINC000290568562 372018102 /nfs/dbraw/zinc/01/81/02/372018102.db2.gz SYGAGHFTVBQKSH-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1sccc1Cl ZINC000290568562 372018106 /nfs/dbraw/zinc/01/81/06/372018106.db2.gz SYGAGHFTVBQKSH-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423193410 372019231 /nfs/dbraw/zinc/01/92/31/372019231.db2.gz QNXXXHLMJBNSPM-OCCSQVGLSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423201324 372024698 /nfs/dbraw/zinc/02/46/98/372024698.db2.gz IEDJYQUFRLQISX-PRHODGIISA-N 2 2 259.180 3.006 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000423201713 372026632 /nfs/dbraw/zinc/02/66/32/372026632.db2.gz JDJKXJFZJHJZKF-MFKMUULPSA-N 2 2 273.207 3.396 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423211198 372032575 /nfs/dbraw/zinc/03/25/75/372032575.db2.gz IGSYZUSYVHTPJX-CABCVRRESA-N 2 2 264.800 3.133 20 0 CGADLP [NH3+][C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)c2ccccc21 ZINC000423212318 372034791 /nfs/dbraw/zinc/03/47/91/372034791.db2.gz IBZVZRCKRWNFOP-WBVHZDCISA-N 2 2 265.360 3.211 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423278588 372046426 /nfs/dbraw/zinc/04/64/26/372046426.db2.gz QXZDWGZXFDLMHZ-KBPBESRZSA-N 2 2 282.815 3.127 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423273744 372046969 /nfs/dbraw/zinc/04/69/69/372046969.db2.gz KZFYMJPUIMJCAK-ZMLRMANQSA-N 2 2 270.467 3.246 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423326741 372051244 /nfs/dbraw/zinc/05/12/44/372051244.db2.gz QYPREXJFHLRAFS-OLZOCXBDSA-N 2 2 285.218 3.308 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000423378334 372057874 /nfs/dbraw/zinc/05/78/74/372057874.db2.gz KUJNIWDWCHAYQA-IUODEOHRSA-N 2 2 294.464 3.210 20 0 CGADLP c1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423177943 372007135 /nfs/dbraw/zinc/00/71/35/372007135.db2.gz BJDIPRJWQHMMFZ-IAGOWNOFSA-N 2 2 258.409 3.260 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423178661 372008614 /nfs/dbraw/zinc/00/86/14/372008614.db2.gz CKRKQKCITSRXKV-RHSMWYFYSA-N 2 2 272.392 3.472 20 0 CGADLP CSC1(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000290904374 372073403 /nfs/dbraw/zinc/07/34/03/372073403.db2.gz OGZQKIQWYVJPHM-HNNXBMFYSA-N 2 2 278.465 3.165 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423573133 372074463 /nfs/dbraw/zinc/07/44/63/372074463.db2.gz YXAJQTRUSOSOHQ-CPUCHLNUSA-N 2 2 258.409 3.357 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797440 372213182 /nfs/dbraw/zinc/21/31/82/372213182.db2.gz NAZPNULCWJDULP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797440 372213186 /nfs/dbraw/zinc/21/31/86/372213186.db2.gz NAZPNULCWJDULP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797440 372213188 /nfs/dbraw/zinc/21/31/88/372213188.db2.gz NAZPNULCWJDULP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)C1 ZINC000292797440 372213195 /nfs/dbraw/zinc/21/31/95/372213195.db2.gz NAZPNULCWJDULP-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672584 541870306 /nfs/dbraw/zinc/87/03/06/541870306.db2.gz GIWQSMIXPROXAO-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672584 541870310 /nfs/dbraw/zinc/87/03/10/541870310.db2.gz GIWQSMIXPROXAO-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344298447 217138732 /nfs/dbraw/zinc/13/87/32/217138732.db2.gz DPONXIKVFZZQTF-QAPCUYQASA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344298447 217138733 /nfs/dbraw/zinc/13/87/33/217138733.db2.gz DPONXIKVFZZQTF-QAPCUYQASA-N 2 2 290.451 3.294 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000428848825 372269929 /nfs/dbraw/zinc/26/99/29/372269929.db2.gz KAPHNCAQSBMNIU-UWVGGRQHSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000428848825 372269933 /nfs/dbraw/zinc/26/99/33/372269933.db2.gz KAPHNCAQSBMNIU-UWVGGRQHSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cscn1 ZINC000162331709 372387083 /nfs/dbraw/zinc/38/70/83/372387083.db2.gz HGNBDUXJFYPGOY-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cscn1 ZINC000162331709 372387090 /nfs/dbraw/zinc/38/70/90/372387090.db2.gz HGNBDUXJFYPGOY-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP CC(C)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162888035 372431499 /nfs/dbraw/zinc/43/14/99/372431499.db2.gz WAMSBYCRSZIDEK-UHFFFAOYSA-N 2 2 296.378 3.059 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000163220771 372452857 /nfs/dbraw/zinc/45/28/57/372452857.db2.gz IGSQQZSKKZDFDC-JTQLQIEISA-N 2 2 254.340 3.037 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1Cl ZINC000163809265 372493246 /nfs/dbraw/zinc/49/32/46/372493246.db2.gz FWTZZVUDNIAZQA-LBPRGKRZSA-N 2 2 290.798 3.283 20 0 CGADLP CC(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165359834 372549451 /nfs/dbraw/zinc/54/94/51/372549451.db2.gz MGXLGCNTPMNSPH-AWEZNQCLSA-N 2 2 278.415 3.424 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@@H+]1C1CC1 ZINC000166303728 372570393 /nfs/dbraw/zinc/57/03/93/372570393.db2.gz ZRYCSDUMGJYKAR-ARLBYUKCSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C[N@H+]1C1CC1 ZINC000166303728 372570398 /nfs/dbraw/zinc/57/03/98/372570398.db2.gz ZRYCSDUMGJYKAR-ARLBYUKCSA-N 2 2 262.441 3.170 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167409811 372595647 /nfs/dbraw/zinc/59/56/47/372595647.db2.gz OMUDYCPMGZAUMQ-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000167409811 372595654 /nfs/dbraw/zinc/59/56/54/372595654.db2.gz OMUDYCPMGZAUMQ-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP Cc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCCC2)c1 ZINC000171136440 372718966 /nfs/dbraw/zinc/71/89/66/372718966.db2.gz PPIJZEIAMHIVPU-UHFFFAOYSA-N 2 2 255.365 3.277 20 0 CGADLP CCC[N@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CC[NH2+]C1 ZINC000435382360 372756424 /nfs/dbraw/zinc/75/64/24/372756424.db2.gz ZDBXDFOPVLWFLO-AWEZNQCLSA-N 2 2 288.391 3.015 20 0 CGADLP CCC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CC[NH2+]C1 ZINC000435382360 372756432 /nfs/dbraw/zinc/75/64/32/372756432.db2.gz ZDBXDFOPVLWFLO-AWEZNQCLSA-N 2 2 288.391 3.015 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000295384709 372758446 /nfs/dbraw/zinc/75/84/46/372758446.db2.gz KSIUGVVUZAPOIT-CYBMUJFWSA-N 2 2 259.397 3.291 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(C)cc1OCC[NH+](C)C ZINC000538969478 288597056 /nfs/dbraw/zinc/59/70/56/288597056.db2.gz ZDGBAWCMHUXSJY-ZDUSSCGKSA-N 2 2 264.413 3.393 20 0 CGADLP CC[NH+](CC)CCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000172014751 372885471 /nfs/dbraw/zinc/88/54/71/372885471.db2.gz HIICFXZHAJNGJX-UHFFFAOYSA-N 2 2 276.428 3.196 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000438337775 372928613 /nfs/dbraw/zinc/92/86/13/372928613.db2.gz ATAMRQJRRSXQHV-NTCAYCPXSA-N 2 2 258.409 3.164 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000344781115 217308616 /nfs/dbraw/zinc/30/86/16/217308616.db2.gz ZNMJQLGUHGKOOG-HNNXBMFYSA-N 2 2 284.488 3.290 20 0 CGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]CC1CC1 ZINC000296145062 373036701 /nfs/dbraw/zinc/03/67/01/373036701.db2.gz VLQHWYFVMCZDEO-UHFFFAOYSA-N 2 2 261.756 3.025 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000296086477 373017047 /nfs/dbraw/zinc/01/70/47/373017047.db2.gz SVFSTRFKECBBGC-HNNXBMFYSA-N 2 2 299.418 3.476 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708704 373067867 /nfs/dbraw/zinc/06/78/67/373067867.db2.gz KTCWLTCTPMRBND-HSBZDZAISA-N 2 2 274.399 3.132 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442708704 373067872 /nfs/dbraw/zinc/06/78/72/373067872.db2.gz KTCWLTCTPMRBND-HSBZDZAISA-N 2 2 274.399 3.132 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000442862027 373106961 /nfs/dbraw/zinc/10/69/61/373106961.db2.gz NRMVONDSCIKXKJ-SSDMNJCBSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000442862027 373106973 /nfs/dbraw/zinc/10/69/73/373106973.db2.gz NRMVONDSCIKXKJ-SSDMNJCBSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561819 220158449 /nfs/dbraw/zinc/15/84/49/220158449.db2.gz ASGSWSAKZAXLLP-WBMJQRKESA-N 2 2 286.444 3.474 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000353561819 220158450 /nfs/dbraw/zinc/15/84/50/220158450.db2.gz ASGSWSAKZAXLLP-WBMJQRKESA-N 2 2 286.444 3.474 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000443011495 373141152 /nfs/dbraw/zinc/14/11/52/373141152.db2.gz FAAJPQTXILFLAA-ZDUSSCGKSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cc[nH]c1)[NH+](C)C ZINC000443008339 373141356 /nfs/dbraw/zinc/14/13/56/373141356.db2.gz TTWJYPWQSUMHLC-RHSMWYFYSA-N 2 2 271.408 3.104 20 0 CGADLP CC[C@H](C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353573303 220166603 /nfs/dbraw/zinc/16/66/03/220166603.db2.gz KQTBOOFTGGPXTL-AWEZNQCLSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@H](C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353573303 220166606 /nfs/dbraw/zinc/16/66/06/220166606.db2.gz KQTBOOFTGGPXTL-AWEZNQCLSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@H](C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353573303 220166609 /nfs/dbraw/zinc/16/66/09/220166609.db2.gz KQTBOOFTGGPXTL-AWEZNQCLSA-N 2 2 252.402 3.079 20 0 CGADLP CC[C@H](C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353573303 220166612 /nfs/dbraw/zinc/16/66/12/220166612.db2.gz KQTBOOFTGGPXTL-AWEZNQCLSA-N 2 2 252.402 3.079 20 0 CGADLP CC(C)CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578006 220170232 /nfs/dbraw/zinc/17/02/32/220170232.db2.gz UVQYAXBSGTXBPK-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CC(C)CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578006 220170235 /nfs/dbraw/zinc/17/02/35/220170235.db2.gz UVQYAXBSGTXBPK-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CC(C)CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353578006 220170237 /nfs/dbraw/zinc/17/02/37/220170237.db2.gz UVQYAXBSGTXBPK-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CC(C)CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353578006 220170240 /nfs/dbraw/zinc/17/02/40/220170240.db2.gz UVQYAXBSGTXBPK-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353618550 220196469 /nfs/dbraw/zinc/19/64/69/220196469.db2.gz GIKPPYXMBIMDPR-AEFFLSMTSA-N 2 2 290.451 3.147 20 0 CGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C ZINC000447730757 373479784 /nfs/dbraw/zinc/47/97/84/373479784.db2.gz LDFHEARHZBEKRA-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C ZINC000447730757 373479794 /nfs/dbraw/zinc/47/97/94/373479794.db2.gz LDFHEARHZBEKRA-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447811768 373496238 /nfs/dbraw/zinc/49/62/38/373496238.db2.gz HQGVYAKVOIJZOT-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447811768 373496243 /nfs/dbraw/zinc/49/62/43/373496243.db2.gz HQGVYAKVOIJZOT-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895957 373519777 /nfs/dbraw/zinc/51/97/77/373519777.db2.gz FFWUDLRVBIULSL-NVXWUHKLSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895957 373519781 /nfs/dbraw/zinc/51/97/81/373519781.db2.gz FFWUDLRVBIULSL-NVXWUHKLSA-N 2 2 296.499 3.149 20 0 CGADLP Cc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(C(C)C)[nH+]1 ZINC000301087236 373655044 /nfs/dbraw/zinc/65/50/44/373655044.db2.gz LFKNAKMHWIKPGV-UHFFFAOYSA-N 2 2 299.422 3.096 20 0 CGADLP C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177234317 373667053 /nfs/dbraw/zinc/66/70/53/373667053.db2.gz ZNTKAHIVYBKYMN-OAHLLOKOSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177234317 373667059 /nfs/dbraw/zinc/66/70/59/373667059.db2.gz ZNTKAHIVYBKYMN-OAHLLOKOSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000449377193 373685008 /nfs/dbraw/zinc/68/50/08/373685008.db2.gz RSQCMKNCBCZOOV-WSDZMALLSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000449377193 373685009 /nfs/dbraw/zinc/68/50/09/373685009.db2.gz RSQCMKNCBCZOOV-WSDZMALLSA-N 2 2 290.426 3.377 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OC)c1 ZINC000353650905 220226535 /nfs/dbraw/zinc/22/65/35/220226535.db2.gz SFHHRTLGJMCIIY-HIFRSBDPSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(OC)c1 ZINC000353650905 220226538 /nfs/dbraw/zinc/22/65/38/220226538.db2.gz SFHHRTLGJMCIIY-HIFRSBDPSA-N 2 2 285.391 3.017 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccco1 ZINC000353666629 220236850 /nfs/dbraw/zinc/23/68/50/220236850.db2.gz RCKRSTVVWOAZOL-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP Cc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc(C)c1O ZINC000353655476 220231189 /nfs/dbraw/zinc/23/11/89/220231189.db2.gz PFUCQQZECYXNKT-UHFFFAOYSA-N 2 2 298.430 3.231 20 0 CGADLP Cc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc(C)c1O ZINC000353655476 220231191 /nfs/dbraw/zinc/23/11/91/220231191.db2.gz PFUCQQZECYXNKT-UHFFFAOYSA-N 2 2 298.430 3.231 20 0 CGADLP CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000449492415 373783746 /nfs/dbraw/zinc/78/37/46/373783746.db2.gz JCZXAZWKOKZQNC-MAUKXSAKSA-N 2 2 299.418 3.119 20 0 CGADLP CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000449492415 373783757 /nfs/dbraw/zinc/78/37/57/373783757.db2.gz JCZXAZWKOKZQNC-MAUKXSAKSA-N 2 2 299.418 3.119 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000301646074 373793132 /nfs/dbraw/zinc/79/31/32/373793132.db2.gz NWKAJVXOOLKSMB-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000301646074 373793135 /nfs/dbraw/zinc/79/31/35/373793135.db2.gz NWKAJVXOOLKSMB-OAHLLOKOSA-N 2 2 269.392 3.322 20 0 CGADLP Clc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000179449384 373873923 /nfs/dbraw/zinc/87/39/23/373873923.db2.gz FIFQGSFCUMYDBU-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000179449384 373873928 /nfs/dbraw/zinc/87/39/28/373873928.db2.gz FIFQGSFCUMYDBU-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)n1 ZINC000180277787 373986622 /nfs/dbraw/zinc/98/66/22/373986622.db2.gz QKMWNLALCBLHLH-KRWDZBQOSA-N 2 2 292.386 3.375 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)n1 ZINC000180277787 373986626 /nfs/dbraw/zinc/98/66/26/373986626.db2.gz QKMWNLALCBLHLH-KRWDZBQOSA-N 2 2 292.386 3.375 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CCCC1 ZINC000450341972 374069416 /nfs/dbraw/zinc/06/94/16/374069416.db2.gz OQFAEXWYNWIWPO-QGZVFWFLSA-N 2 2 262.441 3.437 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CCCC1 ZINC000450341972 374069424 /nfs/dbraw/zinc/06/94/24/374069424.db2.gz OQFAEXWYNWIWPO-QGZVFWFLSA-N 2 2 262.441 3.437 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309882087 374202166 /nfs/dbraw/zinc/20/21/66/374202166.db2.gz JVRMTMWZVCKNPD-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309882087 374202169 /nfs/dbraw/zinc/20/21/69/374202169.db2.gz JVRMTMWZVCKNPD-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000311140649 374233872 /nfs/dbraw/zinc/23/38/72/374233872.db2.gz GBXQBOURFMEFAR-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000311140649 374233880 /nfs/dbraw/zinc/23/38/80/374233880.db2.gz GBXQBOURFMEFAR-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC[C@@H](C)C3)[nH+]c12 ZINC000080236221 541922768 /nfs/dbraw/zinc/92/27/68/541922768.db2.gz MSXUAELTVCHGMB-HIFRSBDPSA-N 2 2 271.408 3.354 20 0 CGADLP CCC1([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000453287938 374394184 /nfs/dbraw/zinc/39/41/84/374394184.db2.gz LDIMEHKBOBOBIH-HOCLYGCPSA-N 2 2 258.409 3.354 20 0 CGADLP CCC1([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000453287938 374394192 /nfs/dbraw/zinc/39/41/92/374394192.db2.gz LDIMEHKBOBOBIH-HOCLYGCPSA-N 2 2 258.409 3.354 20 0 CGADLP CCCC[C@H](CC)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000183645821 374438846 /nfs/dbraw/zinc/43/88/46/374438846.db2.gz LQLKNMXAXIBFDI-HNNXBMFYSA-N 2 2 251.418 3.421 20 0 CGADLP CCCC[C@H](CC)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183645821 374438854 /nfs/dbraw/zinc/43/88/54/374438854.db2.gz LQLKNMXAXIBFDI-HNNXBMFYSA-N 2 2 251.418 3.421 20 0 CGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccco1 ZINC000185158570 374599173 /nfs/dbraw/zinc/59/91/73/374599173.db2.gz HDILUKUMZVJUEW-UHFFFAOYSA-N 2 2 264.413 3.414 20 0 CGADLP Cc1sccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334227691 206221926 /nfs/dbraw/zinc/22/19/26/206221926.db2.gz FSADFMOHWUPFJB-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP COc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000185675391 374712371 /nfs/dbraw/zinc/71/23/71/374712371.db2.gz XDSVZVKEBNJQEV-BEFAXECRSA-N 2 2 298.430 3.476 20 0 CGADLP CCC1(C)CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334403181 374719743 /nfs/dbraw/zinc/71/97/43/374719743.db2.gz GJMDVMGFLVGCCE-UYJPIKCFSA-N 2 2 261.413 3.216 20 0 CGADLP CCC1(C)CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334403181 374719748 /nfs/dbraw/zinc/71/97/48/374719748.db2.gz GJMDVMGFLVGCCE-UYJPIKCFSA-N 2 2 261.413 3.216 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000186330123 374833957 /nfs/dbraw/zinc/83/39/57/374833957.db2.gz NIWZMCXZPBNGAW-OLZOCXBDSA-N 2 2 281.469 3.259 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000186330123 374833959 /nfs/dbraw/zinc/83/39/59/374833959.db2.gz NIWZMCXZPBNGAW-OLZOCXBDSA-N 2 2 281.469 3.259 20 0 CGADLP CCC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000462749216 374834263 /nfs/dbraw/zinc/83/42/63/374834263.db2.gz ORLAHFAVOVCTNW-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP CCC1CCC([NH2+]C[C@H]2CCCC[N@H+]2CC)CC1 ZINC000462749216 374834268 /nfs/dbraw/zinc/83/42/68/374834268.db2.gz ORLAHFAVOVCTNW-UYSNPLJNSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000334646427 374939150 /nfs/dbraw/zinc/93/91/50/374939150.db2.gz IQLXDYJWGUQTNI-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000334646427 374939154 /nfs/dbraw/zinc/93/91/54/374939154.db2.gz IQLXDYJWGUQTNI-LBPRGKRZSA-N 2 2 275.783 3.019 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000187860998 375107973 /nfs/dbraw/zinc/10/79/73/375107973.db2.gz BDGNTGJCZQEWEC-WMLDXEAASA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2c1C ZINC000473115394 375043425 /nfs/dbraw/zinc/04/34/25/375043425.db2.gz ANGMVSYAPQDMEI-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2c1C ZINC000473115394 375043432 /nfs/dbraw/zinc/04/34/32/375043432.db2.gz ANGMVSYAPQDMEI-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2c1C ZINC000473115394 375043438 /nfs/dbraw/zinc/04/34/38/375043438.db2.gz ANGMVSYAPQDMEI-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)cc2c1C ZINC000473115394 375043443 /nfs/dbraw/zinc/04/34/43/375043443.db2.gz ANGMVSYAPQDMEI-HNAYVOBHSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000335146007 375172130 /nfs/dbraw/zinc/17/21/30/375172130.db2.gz DZTAJDYHQYXWNM-UHFFFAOYSA-N 2 2 291.345 3.376 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000474466023 375112830 /nfs/dbraw/zinc/11/28/30/375112830.db2.gz DGBZSXJBJRQGNM-UHFFFAOYSA-N 2 2 266.404 3.066 20 0 CGADLP FC1(F)CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000491599548 375336433 /nfs/dbraw/zinc/33/64/33/375336433.db2.gz SBEMMTPERBCEJE-UHFFFAOYSA-N 2 2 283.347 3.069 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)n1 ZINC000335757500 375404610 /nfs/dbraw/zinc/40/46/10/375404610.db2.gz KGVZJFQZODNWCM-UONOGXRCSA-N 2 2 291.464 3.047 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)n1 ZINC000335757500 375404616 /nfs/dbraw/zinc/40/46/16/375404616.db2.gz KGVZJFQZODNWCM-UONOGXRCSA-N 2 2 291.464 3.047 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC(C)(C)O2)n1-c1ccccc1 ZINC000189729239 375441188 /nfs/dbraw/zinc/44/11/88/375441188.db2.gz DBVMNMACXVIBIG-QGZVFWFLSA-N 2 2 299.418 3.228 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C ZINC000494587420 375489324 /nfs/dbraw/zinc/48/93/24/375489324.db2.gz SQAQQMKTLWLAMD-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C ZINC000494587420 375489335 /nfs/dbraw/zinc/48/93/35/375489335.db2.gz SQAQQMKTLWLAMD-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000120091146 542009644 /nfs/dbraw/zinc/00/96/44/542009644.db2.gz XCMFZYJNGGZIDA-OAHLLOKOSA-N 2 2 293.480 3.367 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@](C)(CC)c1nccs1 ZINC000191576633 375640691 /nfs/dbraw/zinc/64/06/91/375640691.db2.gz WDQJSYXWTMVBDB-CQSZACIVSA-N 2 2 269.458 3.090 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336101303 375686863 /nfs/dbraw/zinc/68/68/63/375686863.db2.gz ZIWGNUKQEAYQBU-ZBFHGGJFSA-N 2 2 269.392 3.166 20 0 CGADLP c1cn(-c2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)c[nH+]1 ZINC000507505156 375709151 /nfs/dbraw/zinc/70/91/51/375709151.db2.gz ACMXZLFZCASICJ-OAHLLOKOSA-N 2 2 267.376 3.318 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000192566365 375766551 /nfs/dbraw/zinc/76/65/51/375766551.db2.gz IGZMGKUDHMYBDN-ZOBUZTSGSA-N 2 2 290.451 3.130 20 0 CGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000193688483 375910204 /nfs/dbraw/zinc/91/02/04/375910204.db2.gz MPCMVEMFXMZLHH-MRXNPFEDSA-N 2 2 296.842 3.103 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336838246 376000514 /nfs/dbraw/zinc/00/05/14/376000514.db2.gz PTKJXVMKMBPLTL-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000336838246 376000516 /nfs/dbraw/zinc/00/05/16/376000516.db2.gz PTKJXVMKMBPLTL-INIZCTEOSA-N 2 2 285.391 3.037 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cs2)C1 ZINC000194420804 376002872 /nfs/dbraw/zinc/00/28/72/376002872.db2.gz PYDQRONYCKJSMG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cs2)C1 ZINC000194420804 376002877 /nfs/dbraw/zinc/00/28/77/376002877.db2.gz PYDQRONYCKJSMG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194420804 376002880 /nfs/dbraw/zinc/00/28/80/376002880.db2.gz PYDQRONYCKJSMG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194420804 376002883 /nfs/dbraw/zinc/00/28/83/376002883.db2.gz PYDQRONYCKJSMG-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337167739 376109992 /nfs/dbraw/zinc/10/99/92/376109992.db2.gz AZARBTDGGMNGEN-HRCADAONSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337167739 376109995 /nfs/dbraw/zinc/10/99/95/376109995.db2.gz AZARBTDGGMNGEN-HRCADAONSA-N 2 2 263.429 3.448 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337170830 376113884 /nfs/dbraw/zinc/11/38/84/376113884.db2.gz FKIPBNFNNUCWEF-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3ccccc3c2)CC1 ZINC000337170830 376113885 /nfs/dbraw/zinc/11/38/85/376113885.db2.gz FKIPBNFNNUCWEF-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C2CC2)ccc1F ZINC000536837713 376134936 /nfs/dbraw/zinc/13/49/36/376134936.db2.gz HISPFFFRLVVPRE-JCURWCKSSA-N 2 2 276.399 3.125 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C2CC2)ccc1F ZINC000536837713 376134945 /nfs/dbraw/zinc/13/49/45/376134945.db2.gz HISPFFFRLVVPRE-JCURWCKSSA-N 2 2 276.399 3.125 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514212 376174174 /nfs/dbraw/zinc/17/41/74/376174174.db2.gz VKALWECQNNVSSM-QWRGUYRKSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514212 376174180 /nfs/dbraw/zinc/17/41/80/376174180.db2.gz VKALWECQNNVSSM-QWRGUYRKSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517655 376174727 /nfs/dbraw/zinc/17/47/27/376174727.db2.gz YALQBVYPTJHCLA-RYUDHWBXSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517655 376174733 /nfs/dbraw/zinc/17/47/33/376174733.db2.gz YALQBVYPTJHCLA-RYUDHWBXSA-N 2 2 297.240 3.181 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000337326012 376212861 /nfs/dbraw/zinc/21/28/61/376212861.db2.gz CFOZKAKQPKBEOE-AEFFLSMTSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000337382741 376217445 /nfs/dbraw/zinc/21/74/45/376217445.db2.gz FPLKXWDVAIYXKU-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000337382741 376217450 /nfs/dbraw/zinc/21/74/50/376217450.db2.gz FPLKXWDVAIYXKU-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP Fc1ccccc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000538351068 376234707 /nfs/dbraw/zinc/23/47/07/376234707.db2.gz WLSZIMLSSQCPNK-UHFFFAOYSA-N 2 2 287.382 3.292 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000338182391 376276061 /nfs/dbraw/zinc/27/60/61/376276061.db2.gz MXYPFVUQAMEGPM-CQSZACIVSA-N 2 2 282.378 3.130 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000539384805 376306902 /nfs/dbraw/zinc/30/69/02/376306902.db2.gz VJDUTIXPZUZXCN-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000539384805 376306906 /nfs/dbraw/zinc/30/69/06/376306906.db2.gz VJDUTIXPZUZXCN-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000539384805 376306912 /nfs/dbraw/zinc/30/69/12/376306912.db2.gz VJDUTIXPZUZXCN-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000539384805 376306917 /nfs/dbraw/zinc/30/69/17/376306917.db2.gz VJDUTIXPZUZXCN-XHSDSOJGSA-N 2 2 252.446 3.370 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000539409374 376310578 /nfs/dbraw/zinc/31/05/78/376310578.db2.gz TVZDGVUHWDULNM-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000539409374 376310586 /nfs/dbraw/zinc/31/05/86/376310586.db2.gz TVZDGVUHWDULNM-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000540317560 376371242 /nfs/dbraw/zinc/37/12/42/376371242.db2.gz WGAWTLUOZAZJCH-NVXWUHKLSA-N 2 2 260.425 3.315 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000540317560 376371248 /nfs/dbraw/zinc/37/12/48/376371248.db2.gz WGAWTLUOZAZJCH-NVXWUHKLSA-N 2 2 260.425 3.315 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752842 376394373 /nfs/dbraw/zinc/39/43/73/376394373.db2.gz KCBITLOJTMZZLD-QAPCUYQASA-N 2 2 284.447 3.224 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CCC1 ZINC000540752842 376394375 /nfs/dbraw/zinc/39/43/75/376394375.db2.gz KCBITLOJTMZZLD-QAPCUYQASA-N 2 2 284.447 3.224 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586141 376440913 /nfs/dbraw/zinc/44/09/13/376440913.db2.gz YZTOJUDKYVFENE-YOEHRIQHSA-N 2 2 294.389 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586141 376440922 /nfs/dbraw/zinc/44/09/22/376440922.db2.gz YZTOJUDKYVFENE-YOEHRIQHSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586141 376440928 /nfs/dbraw/zinc/44/09/28/376440928.db2.gz YZTOJUDKYVFENE-YOEHRIQHSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586141 376440935 /nfs/dbraw/zinc/44/09/35/376440935.db2.gz YZTOJUDKYVFENE-YOEHRIQHSA-N 2 2 294.389 3.181 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541535560 376455481 /nfs/dbraw/zinc/45/54/81/376455481.db2.gz FQLIWQGXDGUOMS-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541535560 376455489 /nfs/dbraw/zinc/45/54/89/376455489.db2.gz FQLIWQGXDGUOMS-BRWVUGGUSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000542166122 376514787 /nfs/dbraw/zinc/51/47/87/376514787.db2.gz DYQNWHQZSPGFPJ-YCPHGPKFSA-N 2 2 289.448 3.459 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000542166122 376514793 /nfs/dbraw/zinc/51/47/93/376514793.db2.gz DYQNWHQZSPGFPJ-YCPHGPKFSA-N 2 2 289.448 3.459 20 0 CGADLP CC[C@H](C)[N@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230183851 376493091 /nfs/dbraw/zinc/49/30/91/376493091.db2.gz AKPRXDBFULOQCT-ZDUSSCGKSA-N 2 2 264.417 3.051 20 0 CGADLP CC[C@H](C)[N@@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230183851 376493099 /nfs/dbraw/zinc/49/30/99/376493099.db2.gz AKPRXDBFULOQCT-ZDUSSCGKSA-N 2 2 264.417 3.051 20 0 CGADLP C[C@H](c1cccs1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231360783 376558808 /nfs/dbraw/zinc/55/88/08/376558808.db2.gz MDKVMGIZYNPBLB-CYBMUJFWSA-N 2 2 260.406 3.270 20 0 CGADLP C[C@H](c1cccs1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231360783 376558811 /nfs/dbraw/zinc/55/88/11/376558811.db2.gz MDKVMGIZYNPBLB-CYBMUJFWSA-N 2 2 260.406 3.270 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231465281 376560645 /nfs/dbraw/zinc/56/06/45/376560645.db2.gz MYVUACUKHUHIRD-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231465281 376560650 /nfs/dbraw/zinc/56/06/50/376560650.db2.gz MYVUACUKHUHIRD-ZDUSSCGKSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H](C)[N@H+]1C ZINC000338785751 376535826 /nfs/dbraw/zinc/53/58/26/376535826.db2.gz NVWUWWIWFZCLBY-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@H](C)[N@@H+]1C ZINC000338785751 376535835 /nfs/dbraw/zinc/53/58/35/376535835.db2.gz NVWUWWIWFZCLBY-TXEJJXNPSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCCCCC1 ZINC000542471043 376544919 /nfs/dbraw/zinc/54/49/19/376544919.db2.gz OMVCFFRDBAANJM-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCCCCC1 ZINC000542471043 376544923 /nfs/dbraw/zinc/54/49/23/376544923.db2.gz OMVCFFRDBAANJM-UONOGXRCSA-N 2 2 252.446 3.418 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000234389400 376617005 /nfs/dbraw/zinc/61/70/05/376617005.db2.gz HMZLGRWRWOUKAS-AWEZNQCLSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000234389400 376617019 /nfs/dbraw/zinc/61/70/19/376617019.db2.gz HMZLGRWRWOUKAS-AWEZNQCLSA-N 2 2 266.816 3.080 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[C@H]1C ZINC000543393787 376635798 /nfs/dbraw/zinc/63/57/98/376635798.db2.gz LBWNXBFCIDEJFD-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[C@H]1C ZINC000543393787 376635802 /nfs/dbraw/zinc/63/58/02/376635802.db2.gz LBWNXBFCIDEJFD-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[C@H]1C ZINC000543393787 376635807 /nfs/dbraw/zinc/63/58/07/376635807.db2.gz LBWNXBFCIDEJFD-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC[C@H]1C ZINC000543393787 376635811 /nfs/dbraw/zinc/63/58/11/376635811.db2.gz LBWNXBFCIDEJFD-TWMKSMIVSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1Cl ZINC000339057176 376653174 /nfs/dbraw/zinc/65/31/74/376653174.db2.gz RHMAKQDMOFHHDF-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1Cl ZINC000339057176 376653183 /nfs/dbraw/zinc/65/31/83/376653183.db2.gz RHMAKQDMOFHHDF-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CCc1cc(Nc2ccc3[nH+]c(C)cn3c2)nc(C)[nH+]1 ZINC000543877054 376684147 /nfs/dbraw/zinc/68/41/47/376684147.db2.gz RYQPKBFAKIYYAP-UHFFFAOYSA-N 2 2 267.336 3.047 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(F)cccc1Cl ZINC000264605867 190122616 /nfs/dbraw/zinc/12/26/16/190122616.db2.gz HCOQSXMWZCOBER-GFCCVEGCSA-N 2 2 295.789 3.287 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272354 376804506 /nfs/dbraw/zinc/80/45/06/376804506.db2.gz WRSWTMWAIQWZJB-ZUKISOHSSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272354 376804519 /nfs/dbraw/zinc/80/45/19/376804519.db2.gz WRSWTMWAIQWZJB-ZUKISOHSSA-N 2 2 284.447 3.179 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157637932 542136428 /nfs/dbraw/zinc/13/64/28/542136428.db2.gz RCWGVSAILCWJKE-MAUKXSAKSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157637932 542136432 /nfs/dbraw/zinc/13/64/32/542136432.db2.gz RCWGVSAILCWJKE-MAUKXSAKSA-N 2 2 270.420 3.056 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245463155 376822775 /nfs/dbraw/zinc/82/27/75/376822775.db2.gz XFUBYXLARMXGIN-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC000245463155 376822782 /nfs/dbraw/zinc/82/27/82/376822782.db2.gz XFUBYXLARMXGIN-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000245463155 376822788 /nfs/dbraw/zinc/82/27/88/376822788.db2.gz XFUBYXLARMXGIN-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC000245463155 376822795 /nfs/dbraw/zinc/82/27/95/376822795.db2.gz XFUBYXLARMXGIN-KGLIPLIRSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245683345 376879523 /nfs/dbraw/zinc/87/95/23/376879523.db2.gz ACQQCYOKOVTECP-TZMCWYRMSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245683345 376879529 /nfs/dbraw/zinc/87/95/29/376879529.db2.gz ACQQCYOKOVTECP-TZMCWYRMSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245918733 376934826 /nfs/dbraw/zinc/93/48/26/376934826.db2.gz SBZHWLKFDZJLEX-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245918733 376934834 /nfs/dbraw/zinc/93/48/34/376934834.db2.gz SBZHWLKFDZJLEX-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245918733 376934838 /nfs/dbraw/zinc/93/48/38/376934838.db2.gz SBZHWLKFDZJLEX-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245918733 376934844 /nfs/dbraw/zinc/93/48/44/376934844.db2.gz SBZHWLKFDZJLEX-KBPBESRZSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(C2CC2)c1 ZINC000340200205 376946093 /nfs/dbraw/zinc/94/60/93/376946093.db2.gz HQQASGSCFGDLLY-GUYCJALGSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000340200205 376946099 /nfs/dbraw/zinc/94/60/99/376946099.db2.gz HQQASGSCFGDLLY-GUYCJALGSA-N 2 2 258.409 3.309 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCC23CCCC3)CCSC1 ZINC000340252780 376965866 /nfs/dbraw/zinc/96/58/66/376965866.db2.gz BZLLWIAHLQUXSK-ZBFHGGJFSA-N 2 2 282.497 3.126 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000340371742 377025379 /nfs/dbraw/zinc/02/53/79/377025379.db2.gz HICCKBYPZQLWQF-IEBWSBKVSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000340371742 377025387 /nfs/dbraw/zinc/02/53/87/377025387.db2.gz HICCKBYPZQLWQF-IEBWSBKVSA-N 2 2 295.430 3.245 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000558650735 377029808 /nfs/dbraw/zinc/02/98/08/377029808.db2.gz YWJQYHCUXSZUFF-FYRZTWFESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000558650735 377029814 /nfs/dbraw/zinc/02/98/14/377029814.db2.gz YWJQYHCUXSZUFF-FYRZTWFESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000558698529 377035235 /nfs/dbraw/zinc/03/52/35/377035235.db2.gz HOZGDLQPQFGIPW-KGLIPLIRSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000558698529 377035251 /nfs/dbraw/zinc/03/52/51/377035251.db2.gz HOZGDLQPQFGIPW-KGLIPLIRSA-N 2 2 296.405 3.217 20 0 CGADLP COc1ccc(C)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000340423451 377048784 /nfs/dbraw/zinc/04/87/84/377048784.db2.gz CLXXODSQBTZWTK-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000246872650 377109900 /nfs/dbraw/zinc/10/99/00/377109900.db2.gz QBQJSFFJPSBBTL-YQQAZPJKSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000246872650 377109915 /nfs/dbraw/zinc/10/99/15/377109915.db2.gz QBQJSFFJPSBBTL-YQQAZPJKSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872650 377109927 /nfs/dbraw/zinc/10/99/27/377109927.db2.gz QBQJSFFJPSBBTL-YQQAZPJKSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872650 377109933 /nfs/dbraw/zinc/10/99/33/377109933.db2.gz QBQJSFFJPSBBTL-YQQAZPJKSA-N 2 2 260.425 3.044 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000246925507 377122277 /nfs/dbraw/zinc/12/22/77/377122277.db2.gz GRSPNNZEEZZXEY-ATZDWAIDSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000246925507 377122284 /nfs/dbraw/zinc/12/22/84/377122284.db2.gz GRSPNNZEEZZXEY-ATZDWAIDSA-N 2 2 295.430 3.243 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000340492950 377100751 /nfs/dbraw/zinc/10/07/51/377100751.db2.gz XILACDVQHZWQRQ-XFBWCDHKSA-N 2 2 298.352 3.066 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000340492950 377100758 /nfs/dbraw/zinc/10/07/58/377100758.db2.gz XILACDVQHZWQRQ-XFBWCDHKSA-N 2 2 298.352 3.066 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000559892730 377105853 /nfs/dbraw/zinc/10/58/53/377105853.db2.gz YZSQMKDSZNHHFY-OWCLPIDISA-N 2 2 294.389 3.142 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000559892730 377105860 /nfs/dbraw/zinc/10/58/60/377105860.db2.gz YZSQMKDSZNHHFY-OWCLPIDISA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000560233943 377129872 /nfs/dbraw/zinc/12/98/72/377129872.db2.gz QMVWZJAAJGOZAA-NUEKZKHPSA-N 2 2 260.425 3.456 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000246983131 377132321 /nfs/dbraw/zinc/13/23/21/377132321.db2.gz KEJYCKMHCMEQTF-VMGRFDJRSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000246983131 377132333 /nfs/dbraw/zinc/13/23/33/377132333.db2.gz KEJYCKMHCMEQTF-VMGRFDJRSA-N 2 2 276.399 3.492 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cs1 ZINC000560354425 377143916 /nfs/dbraw/zinc/14/39/16/377143916.db2.gz URQOQJRVHOWJED-LBPRGKRZSA-N 2 2 275.421 3.440 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)on1 ZINC000247083262 377154024 /nfs/dbraw/zinc/15/40/24/377154024.db2.gz NPVAOLKJQYLIGZ-XJKCOSOUSA-N 2 2 293.455 3.397 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)on1 ZINC000247083262 377154031 /nfs/dbraw/zinc/15/40/31/377154031.db2.gz NPVAOLKJQYLIGZ-XJKCOSOUSA-N 2 2 293.455 3.397 20 0 CGADLP Fc1ccc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000560618247 377181722 /nfs/dbraw/zinc/18/17/22/377181722.db2.gz BADWJYQKHQKZJP-LBPRGKRZSA-N 2 2 285.366 3.270 20 0 CGADLP Fc1ccc2cc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000560618247 377181725 /nfs/dbraw/zinc/18/17/25/377181725.db2.gz BADWJYQKHQKZJP-LBPRGKRZSA-N 2 2 285.366 3.270 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247958363 377247537 /nfs/dbraw/zinc/24/75/37/377247537.db2.gz FXNSRCKHSSOOGK-GHJWDPDVSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1F ZINC000247958363 377247548 /nfs/dbraw/zinc/24/75/48/377247548.db2.gz FXNSRCKHSSOOGK-GHJWDPDVSA-N 2 2 282.378 3.488 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248058832 377263751 /nfs/dbraw/zinc/26/37/51/377263751.db2.gz XUURTPFVDZLVNZ-ZMSDIMECSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000248058832 377263763 /nfs/dbraw/zinc/26/37/63/377263763.db2.gz XUURTPFVDZLVNZ-ZMSDIMECSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000248533631 377337974 /nfs/dbraw/zinc/33/79/74/377337974.db2.gz UDGZHBQQSOHKRK-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000248533631 377337983 /nfs/dbraw/zinc/33/79/83/377337983.db2.gz UDGZHBQQSOHKRK-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562667325 377345324 /nfs/dbraw/zinc/34/53/24/377345324.db2.gz YIEXEFSKDVLTOR-OCCSQVGLSA-N 2 2 295.386 3.234 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000562667325 377345333 /nfs/dbraw/zinc/34/53/33/377345333.db2.gz YIEXEFSKDVLTOR-OCCSQVGLSA-N 2 2 295.386 3.234 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)c1ccccc1 ZINC000563422156 377460917 /nfs/dbraw/zinc/46/09/17/377460917.db2.gz ZCYZBBXEEQEFCF-HNNXBMFYSA-N 2 2 276.330 3.414 20 0 CGADLP Cc1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000094666968 249041771 /nfs/dbraw/zinc/04/17/71/249041771.db2.gz ITLUZIFIVIRMEG-LLVKDONJSA-N 2 2 284.363 3.362 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000163638741 542167793 /nfs/dbraw/zinc/16/77/93/542167793.db2.gz IRXLGQJSSCCUHB-OAHLLOKOSA-N 2 2 290.451 3.010 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000163752550 542169024 /nfs/dbraw/zinc/16/90/24/542169024.db2.gz RNECMCJJSDVNSH-KBAYOESNSA-N 2 2 296.499 3.148 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000249768283 377531264 /nfs/dbraw/zinc/53/12/64/377531264.db2.gz BGOIHCAQOBSQTI-XHDPSFHLSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000249768283 377531269 /nfs/dbraw/zinc/53/12/69/377531269.db2.gz BGOIHCAQOBSQTI-XHDPSFHLSA-N 2 2 284.806 3.299 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101601 542174697 /nfs/dbraw/zinc/17/46/97/542174697.db2.gz ASDKGLCESZKQNQ-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167101601 542174699 /nfs/dbraw/zinc/17/46/99/542174699.db2.gz ASDKGLCESZKQNQ-LBPRGKRZSA-N 2 2 290.304 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1nccn1-c1ccccc1 ZINC000517356027 249263756 /nfs/dbraw/zinc/26/37/56/249263756.db2.gz AHHFLNBPSTYEPR-USXIJHARSA-N 2 2 298.434 3.183 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(F)F)CC1 ZINC000178388521 542197310 /nfs/dbraw/zinc/19/73/10/542197310.db2.gz CSPZZNHHWIQUGT-CYBMUJFWSA-N 2 2 274.399 3.228 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(F)F)CC1 ZINC000178388521 542197313 /nfs/dbraw/zinc/19/73/13/542197313.db2.gz CSPZZNHHWIQUGT-CYBMUJFWSA-N 2 2 274.399 3.228 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000517534339 249266924 /nfs/dbraw/zinc/26/69/24/249266924.db2.gz NJSIWOSBEKIOSE-UWVGGRQHSA-N 2 2 295.839 3.289 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000179993923 542204738 /nfs/dbraw/zinc/20/47/38/542204738.db2.gz RKDKVZWRFKBBAG-GFCCVEGCSA-N 2 2 297.406 3.117 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713670 377653903 /nfs/dbraw/zinc/65/39/03/377653903.db2.gz PWZAXWMCZKHWMK-OTRWWLKZSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713670 377653911 /nfs/dbraw/zinc/65/39/11/377653911.db2.gz PWZAXWMCZKHWMK-OTRWWLKZSA-N 2 2 264.457 3.416 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cc2OCC2CC2)n1C ZINC000574704221 377698953 /nfs/dbraw/zinc/69/89/53/377698953.db2.gz LETLNESNIVFTBL-UHFFFAOYSA-N 2 2 299.418 3.116 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000574516305 377672174 /nfs/dbraw/zinc/67/21/74/377672174.db2.gz DIYQDLGPZFZCCH-ZBFHGGJFSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000574516305 377672182 /nfs/dbraw/zinc/67/21/82/377672182.db2.gz DIYQDLGPZFZCCH-ZBFHGGJFSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574514161 377672911 /nfs/dbraw/zinc/67/29/11/377672911.db2.gz VYEOWMJGWLEZQG-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574514161 377672916 /nfs/dbraw/zinc/67/29/16/377672916.db2.gz VYEOWMJGWLEZQG-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc[nH+]c(C)c1NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000261601871 377826608 /nfs/dbraw/zinc/82/66/08/377826608.db2.gz BXLUXVLLQSRKLO-LLVKDONJSA-N 2 2 284.363 3.362 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])on2)cc1 ZINC000261952091 377871711 /nfs/dbraw/zinc/87/17/11/377871711.db2.gz NENMRYIYALPEJP-KBXCAEBGSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])on2)cc1 ZINC000261952091 377871715 /nfs/dbraw/zinc/87/17/15/377871715.db2.gz NENMRYIYALPEJP-KBXCAEBGSA-N 2 2 299.418 3.352 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cnccc21 ZINC000183406260 542230915 /nfs/dbraw/zinc/23/09/15/542230915.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc2cnccc21 ZINC000183406260 542230918 /nfs/dbraw/zinc/23/09/18/542230918.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cnccc21 ZINC000183406260 542230921 /nfs/dbraw/zinc/23/09/21/542230921.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cnccc21 ZINC000183406260 542230925 /nfs/dbraw/zinc/23/09/25/542230925.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262049705 377882213 /nfs/dbraw/zinc/88/22/13/377882213.db2.gz QDESWIWDBSVERU-MLGOLLRUSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262049705 377882222 /nfs/dbraw/zinc/88/22/22/377882222.db2.gz QDESWIWDBSVERU-MLGOLLRUSA-N 2 2 289.448 3.289 20 0 CGADLP CN(CCC[NH+]1CCCC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000343069152 377893470 /nfs/dbraw/zinc/89/34/70/377893470.db2.gz PEFWMPQCVPCSTN-UHFFFAOYSA-N 2 2 287.329 3.023 20 0 CGADLP Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1C ZINC000261735448 377846731 /nfs/dbraw/zinc/84/67/31/377846731.db2.gz ORYAHHZJHAOCEE-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1C ZINC000261735448 377846740 /nfs/dbraw/zinc/84/67/40/377846740.db2.gz ORYAHHZJHAOCEE-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP CC1(C)CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342919274 377858036 /nfs/dbraw/zinc/85/80/36/377858036.db2.gz STAWUBUDKCDJGA-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP CC1(C)CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342919274 377858045 /nfs/dbraw/zinc/85/80/45/377858045.db2.gz STAWUBUDKCDJGA-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343160586 377916950 /nfs/dbraw/zinc/91/69/50/377916950.db2.gz YGRHDLVHBLAKOQ-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)[nH+]1 ZINC000343417438 377975165 /nfs/dbraw/zinc/97/51/65/377975165.db2.gz KKMFIIRDEBUUMZ-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccncc3)C2)CC1 ZINC000266021214 190223976 /nfs/dbraw/zinc/22/39/76/190223976.db2.gz OWMPEYIOOFIADH-GOSISDBHSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000266021214 190223977 /nfs/dbraw/zinc/22/39/77/190223977.db2.gz OWMPEYIOOFIADH-GOSISDBHSA-N 2 2 287.451 3.026 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2COc3ccccc32)c[nH+]1 ZINC000578470573 378073506 /nfs/dbraw/zinc/07/35/06/378073506.db2.gz KZCBGNHPSSBXTK-MRXNPFEDSA-N 2 2 282.387 3.088 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000265985987 190220978 /nfs/dbraw/zinc/22/09/78/190220978.db2.gz HMGNEMFJHHUKRD-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@H+]1C ZINC000265985987 190220979 /nfs/dbraw/zinc/22/09/79/190220979.db2.gz HMGNEMFJHHUKRD-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985987 190220980 /nfs/dbraw/zinc/22/09/80/190220980.db2.gz HMGNEMFJHHUKRD-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985987 190220981 /nfs/dbraw/zinc/22/09/81/190220981.db2.gz HMGNEMFJHHUKRD-HOCLYGCPSA-N 2 2 299.418 3.256 20 0 CGADLP CSCC[C@H](C)[N@H+](C)CCc1cc[nH+]cc1C ZINC000578983982 378118265 /nfs/dbraw/zinc/11/82/65/378118265.db2.gz DIHKRHOWCJHTSZ-ZDUSSCGKSA-N 2 2 252.427 3.006 20 0 CGADLP CSCC[C@H](C)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000578983982 378118268 /nfs/dbraw/zinc/11/82/68/378118268.db2.gz DIHKRHOWCJHTSZ-ZDUSSCGKSA-N 2 2 252.427 3.006 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000268909139 378150472 /nfs/dbraw/zinc/15/04/72/378150472.db2.gz SSZSGRYLGWXRTM-DOTOQJQBSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000268909139 378150475 /nfs/dbraw/zinc/15/04/75/378150475.db2.gz SSZSGRYLGWXRTM-DOTOQJQBSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000343816219 378102161 /nfs/dbraw/zinc/10/21/61/378102161.db2.gz WTRDOTCEZYJWPN-PBHICJAKSA-N 2 2 284.407 3.197 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@@H](O)CC)c1ccc(Cl)cc1 ZINC000579584156 378174090 /nfs/dbraw/zinc/17/40/90/378174090.db2.gz HCNKEGFSLCGAJJ-HOTGVXAUSA-N 2 2 298.858 3.083 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@@H](O)CC)c1ccc(Cl)cc1 ZINC000579584156 378174096 /nfs/dbraw/zinc/17/40/96/378174096.db2.gz HCNKEGFSLCGAJJ-HOTGVXAUSA-N 2 2 298.858 3.083 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(F)c1F ZINC000580128408 378226844 /nfs/dbraw/zinc/22/68/44/378226844.db2.gz FQWZFUXVEAALJW-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(F)c1F ZINC000580128408 378226850 /nfs/dbraw/zinc/22/68/50/378226850.db2.gz FQWZFUXVEAALJW-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CS1 ZINC000580309605 378239902 /nfs/dbraw/zinc/23/99/02/378239902.db2.gz VTLLVFSYSOFXRG-KBMXLJTQSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CS1 ZINC000580309605 378239910 /nfs/dbraw/zinc/23/99/10/378239910.db2.gz VTLLVFSYSOFXRG-KBMXLJTQSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785815 378258019 /nfs/dbraw/zinc/25/80/19/378258019.db2.gz PENTXQVBFDUVIB-WJNMYVKJSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785815 378258024 /nfs/dbraw/zinc/25/80/24/378258024.db2.gz PENTXQVBFDUVIB-WJNMYVKJSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000270845555 378404328 /nfs/dbraw/zinc/40/43/28/378404328.db2.gz GTKOQDMAIMVQNJ-SFHVURJKSA-N 2 2 283.419 3.228 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270845555 378404331 /nfs/dbraw/zinc/40/43/31/378404331.db2.gz GTKOQDMAIMVQNJ-SFHVURJKSA-N 2 2 283.419 3.228 20 0 CGADLP CCCOc1ccc2c(c1)CC[N@@H+](CCn1cc[nH+]c1C)C2 ZINC000270908919 378411746 /nfs/dbraw/zinc/41/17/46/378411746.db2.gz SNIPKVSLGWPWPB-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP CCCOc1ccc2c(c1)CC[N@H+](CCn1cc[nH+]c1C)C2 ZINC000270908919 378411752 /nfs/dbraw/zinc/41/17/52/378411752.db2.gz SNIPKVSLGWPWPB-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000270676744 378385763 /nfs/dbraw/zinc/38/57/63/378385763.db2.gz SSMLADZVZQZISO-QGZVFWFLSA-N 2 2 285.391 3.037 20 0 CGADLP c1cn(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)c[nH+]1 ZINC000271177821 378473477 /nfs/dbraw/zinc/47/34/77/378473477.db2.gz GMJDBYQZAFREPP-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000346306572 378538187 /nfs/dbraw/zinc/53/81/87/378538187.db2.gz IUHYDLBAOUTNQV-LLVKDONJSA-N 2 2 279.334 3.163 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000346306572 378538192 /nfs/dbraw/zinc/53/81/92/378538192.db2.gz IUHYDLBAOUTNQV-LLVKDONJSA-N 2 2 279.334 3.163 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc2cccnc12 ZINC000346326968 378545649 /nfs/dbraw/zinc/54/56/49/378545649.db2.gz OOOOAWZYVWPPMU-FUHWJXTLSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc2cccnc12 ZINC000346326968 378545654 /nfs/dbraw/zinc/54/56/54/378545654.db2.gz OOOOAWZYVWPPMU-FUHWJXTLSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc2cccnc12 ZINC000346326968 378545660 /nfs/dbraw/zinc/54/56/60/378545660.db2.gz OOOOAWZYVWPPMU-FUHWJXTLSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc2cccnc12 ZINC000346326968 378545664 /nfs/dbraw/zinc/54/56/64/378545664.db2.gz OOOOAWZYVWPPMU-FUHWJXTLSA-N 2 2 295.430 3.069 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@@H+]1C ZINC000346345638 378553010 /nfs/dbraw/zinc/55/30/10/378553010.db2.gz WYMUQWCKSMQNAY-YJNKEBTESA-N 2 2 258.409 3.005 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccccc3)C2)CCC[N@H+]1C ZINC000346345638 378553015 /nfs/dbraw/zinc/55/30/15/378553015.db2.gz WYMUQWCKSMQNAY-YJNKEBTESA-N 2 2 258.409 3.005 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000346572584 378628227 /nfs/dbraw/zinc/62/82/27/378628227.db2.gz AUWBHDWPKVHTDP-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346572584 378628231 /nfs/dbraw/zinc/62/82/31/378628231.db2.gz AUWBHDWPKVHTDP-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000346498209 378595775 /nfs/dbraw/zinc/59/57/75/378595775.db2.gz XMUWDVUODUJBSF-WBAXXEDZSA-N 2 2 290.451 3.009 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664473 378667648 /nfs/dbraw/zinc/66/76/48/378667648.db2.gz ZEUSKLFUFWPOIM-HLLBOEOZSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664473 378667654 /nfs/dbraw/zinc/66/76/54/378667654.db2.gz ZEUSKLFUFWPOIM-HLLBOEOZSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Oc1ccccc1 ZINC000638018701 378671370 /nfs/dbraw/zinc/67/13/70/378671370.db2.gz SCZBHHSUDCIBHD-INIZCTEOSA-N 2 2 299.418 3.378 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Oc1ccccc1 ZINC000638018701 378671376 /nfs/dbraw/zinc/67/13/76/378671376.db2.gz SCZBHHSUDCIBHD-INIZCTEOSA-N 2 2 299.418 3.378 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346693370 378678623 /nfs/dbraw/zinc/67/86/23/378678623.db2.gz MRCAXKBARJZUMQ-AWEZNQCLSA-N 2 2 283.485 3.147 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346693370 378678628 /nfs/dbraw/zinc/67/86/28/378678628.db2.gz MRCAXKBARJZUMQ-AWEZNQCLSA-N 2 2 283.485 3.147 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)[nH]1 ZINC000637949716 378642486 /nfs/dbraw/zinc/64/24/86/378642486.db2.gz AYZMSJYEJLAXAW-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)[nH]1 ZINC000637949716 378642491 /nfs/dbraw/zinc/64/24/91/378642491.db2.gz AYZMSJYEJLAXAW-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Oc1ccccc1 ZINC000637953333 378645510 /nfs/dbraw/zinc/64/55/10/378645510.db2.gz PPAUDUWMHUNBHV-OAHLLOKOSA-N 2 2 299.418 3.447 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Oc1ccccc1 ZINC000637953333 378645518 /nfs/dbraw/zinc/64/55/18/378645518.db2.gz PPAUDUWMHUNBHV-OAHLLOKOSA-N 2 2 299.418 3.447 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000348014020 378753556 /nfs/dbraw/zinc/75/35/56/378753556.db2.gz WALSEQSEEMKJML-KRWDZBQOSA-N 2 2 282.472 3.047 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000348014020 378753559 /nfs/dbraw/zinc/75/35/59/378753559.db2.gz WALSEQSEEMKJML-KRWDZBQOSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@H](C)C1 ZINC000347353455 378716205 /nfs/dbraw/zinc/71/62/05/378716205.db2.gz FMGKCWZOYMFKMX-TZMCWYRMSA-N 2 2 295.496 3.395 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@H](C)C1 ZINC000347353455 378716207 /nfs/dbraw/zinc/71/62/07/378716207.db2.gz FMGKCWZOYMFKMX-TZMCWYRMSA-N 2 2 295.496 3.395 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC)cc1 ZINC000346792893 218014836 /nfs/dbraw/zinc/01/48/36/218014836.db2.gz DVVJQOXNFWUBTM-JQFCIGGWSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC)cc1 ZINC000346792893 218014837 /nfs/dbraw/zinc/01/48/37/218014837.db2.gz DVVJQOXNFWUBTM-JQFCIGGWSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000348087118 378785298 /nfs/dbraw/zinc/78/52/98/378785298.db2.gz OIWVNYQAKPPBAU-OLZOCXBDSA-N 2 2 257.381 3.274 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000266186658 190238593 /nfs/dbraw/zinc/23/85/93/190238593.db2.gz ANUVYIYKPONFCG-UHFFFAOYSA-N 2 2 285.395 3.060 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348101327 378791710 /nfs/dbraw/zinc/79/17/10/378791710.db2.gz JWFHHKJJYANZRG-UKRRQHHQSA-N 2 2 273.355 3.290 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000348101641 378792354 /nfs/dbraw/zinc/79/23/54/378792354.db2.gz IQCYBHBOJKIGIW-DLBZAZTESA-N 2 2 269.392 3.210 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000346791201 218013532 /nfs/dbraw/zinc/01/35/32/218013532.db2.gz HTCZEJMZLSVGBA-WFASDCNBSA-N 2 2 274.383 3.030 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000346791201 218013534 /nfs/dbraw/zinc/01/35/34/218013534.db2.gz HTCZEJMZLSVGBA-WFASDCNBSA-N 2 2 274.383 3.030 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000266221454 190240685 /nfs/dbraw/zinc/24/06/85/190240685.db2.gz RFUROPFQUCWYSQ-UHFFFAOYSA-N 2 2 276.355 3.079 20 0 CGADLP c1c(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[nH+]c2ccccn12 ZINC000348247756 378861936 /nfs/dbraw/zinc/86/19/36/378861936.db2.gz RJBRWTZRYFLQNR-FUHWJXTLSA-N 2 2 291.398 3.270 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638567332 378838089 /nfs/dbraw/zinc/83/80/89/378838089.db2.gz ZAIDOFVYDPTXQL-CQSZACIVSA-N 2 2 287.407 3.038 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638567332 378838093 /nfs/dbraw/zinc/83/80/93/378838093.db2.gz ZAIDOFVYDPTXQL-CQSZACIVSA-N 2 2 287.407 3.038 20 0 CGADLP CC[C@H](C)[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346950743 218068039 /nfs/dbraw/zinc/06/80/39/218068039.db2.gz UGPBPXRTGPTMOL-SQWLQELKSA-N 2 2 290.455 3.068 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274885510 378913549 /nfs/dbraw/zinc/91/35/49/378913549.db2.gz HSDSPOBABJETGJ-WBVHZDCISA-N 2 2 283.419 3.468 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274885510 378913553 /nfs/dbraw/zinc/91/35/53/378913553.db2.gz HSDSPOBABJETGJ-WBVHZDCISA-N 2 2 283.419 3.468 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc2ccccc2n1C ZINC000638793004 378914164 /nfs/dbraw/zinc/91/41/64/378914164.db2.gz RSNOOAIFKBLDQG-UHFFFAOYSA-N 2 2 279.387 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CCc1cccn1C ZINC000275199309 378948073 /nfs/dbraw/zinc/94/80/73/378948073.db2.gz FSNWWCPVKBDNKC-INIZCTEOSA-N 2 2 285.435 3.272 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638903068 378949354 /nfs/dbraw/zinc/94/93/54/378949354.db2.gz SUYVMULIWSPYFZ-IAGOWNOFSA-N 2 2 294.483 3.212 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347075875 218113788 /nfs/dbraw/zinc/11/37/88/218113788.db2.gz UUEDWDPFJODTPP-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347075875 218113790 /nfs/dbraw/zinc/11/37/90/218113790.db2.gz UUEDWDPFJODTPP-MRXNPFEDSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H]1C[NH3+] ZINC000347082564 218115049 /nfs/dbraw/zinc/11/50/49/218115049.db2.gz ZNFKDPFBIHTBRR-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@H]1C[NH3+] ZINC000347082564 218115052 /nfs/dbraw/zinc/11/50/52/218115052.db2.gz ZNFKDPFBIHTBRR-BEFAXECRSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000347118016 218128217 /nfs/dbraw/zinc/12/82/17/218128217.db2.gz VAKHLLMKLQBOOJ-OAHLLOKOSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000347118016 218128219 /nfs/dbraw/zinc/12/82/19/218128219.db2.gz VAKHLLMKLQBOOJ-OAHLLOKOSA-N 2 2 268.404 3.441 20 0 CGADLP c1cn(Cc2ccc(N[C@H]3CC[C@@H]3C3CCC3)[nH+]c2)c[nH+]1 ZINC000348829831 379067525 /nfs/dbraw/zinc/06/75/25/379067525.db2.gz AKZBOTSOFYAFEG-CVEARBPZSA-N 2 2 282.391 3.317 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)ns1 ZINC000639177422 379094819 /nfs/dbraw/zinc/09/48/19/379094819.db2.gz SZGFCJZJQUZLMU-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)ns1 ZINC000639177422 379094830 /nfs/dbraw/zinc/09/48/30/379094830.db2.gz SZGFCJZJQUZLMU-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000371309603 379136199 /nfs/dbraw/zinc/13/61/99/379136199.db2.gz YXBMBKNSEPPMOF-INIZCTEOSA-N 2 2 267.376 3.104 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](C4CC4)C3)cc2)c[nH+]1 ZINC000371309603 379136224 /nfs/dbraw/zinc/13/62/24/379136224.db2.gz YXBMBKNSEPPMOF-INIZCTEOSA-N 2 2 267.376 3.104 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289996 379132019 /nfs/dbraw/zinc/13/20/19/379132019.db2.gz RGAHBQAAYAPHHU-FMKPAKJESA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289996 379132030 /nfs/dbraw/zinc/13/20/30/379132030.db2.gz RGAHBQAAYAPHHU-FMKPAKJESA-N 2 2 299.418 3.160 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000277270513 379115677 /nfs/dbraw/zinc/11/56/77/379115677.db2.gz RQGKOOIDZYRJHB-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000277270513 379115683 /nfs/dbraw/zinc/11/56/83/379115683.db2.gz RQGKOOIDZYRJHB-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000277276670 379117432 /nfs/dbraw/zinc/11/74/32/379117432.db2.gz RZQXXXGSFGUEMC-OAHLLOKOSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000277276670 379117438 /nfs/dbraw/zinc/11/74/38/379117438.db2.gz RZQXXXGSFGUEMC-OAHLLOKOSA-N 2 2 266.816 3.256 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000349203192 379188620 /nfs/dbraw/zinc/18/86/20/379188620.db2.gz SLSCGNXSHUPATN-FMKPAKJESA-N 2 2 269.392 3.418 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000373116356 379227306 /nfs/dbraw/zinc/22/73/06/379227306.db2.gz VAWYRBIFUXRPHR-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000373116356 379227317 /nfs/dbraw/zinc/22/73/17/379227317.db2.gz VAWYRBIFUXRPHR-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC1CC1 ZINC000349364147 379248602 /nfs/dbraw/zinc/24/86/02/379248602.db2.gz FXOUMLXBWXFKAJ-UHFFFAOYSA-N 2 2 299.418 3.194 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC1CC1 ZINC000349364147 379248607 /nfs/dbraw/zinc/24/86/07/379248607.db2.gz FXOUMLXBWXFKAJ-UHFFFAOYSA-N 2 2 299.418 3.194 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)cc1Cl ZINC000349410975 379270709 /nfs/dbraw/zinc/27/07/09/379270709.db2.gz VOPPYSDZCNNLOE-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)cc1Cl ZINC000349410975 379270718 /nfs/dbraw/zinc/27/07/18/379270718.db2.gz VOPPYSDZCNNLOE-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCC[NH+]1CCCC1 ZINC000349408852 379271026 /nfs/dbraw/zinc/27/10/26/379271026.db2.gz QOMWVHOSGMQKCX-UHFFFAOYSA-N 3 2 289.467 3.130 20 0 CGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CCC[NH+]1CCCC1 ZINC000349408852 379271032 /nfs/dbraw/zinc/27/10/32/379271032.db2.gz QOMWVHOSGMQKCX-UHFFFAOYSA-N 3 2 289.467 3.130 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420750 379275562 /nfs/dbraw/zinc/27/55/62/379275562.db2.gz RMTFYOKDQWZDSD-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420750 379275566 /nfs/dbraw/zinc/27/55/66/379275566.db2.gz RMTFYOKDQWZDSD-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192675114 542268037 /nfs/dbraw/zinc/26/80/37/542268037.db2.gz CWRWTBQHXRESDG-UHFFFAOYSA-N 2 2 294.414 3.188 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccco2)CC1 ZINC000639376298 379333914 /nfs/dbraw/zinc/33/39/14/379333914.db2.gz BSUBPOYWJWNIAF-UHFFFAOYSA-N 2 2 262.397 3.120 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCOc2ccccc2F)CC1 ZINC000639378303 379338109 /nfs/dbraw/zinc/33/81/09/379338109.db2.gz OIINWYBPDUJABR-UHFFFAOYSA-N 2 2 294.414 3.011 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639346302 379302034 /nfs/dbraw/zinc/30/20/34/379302034.db2.gz RQXRVOVYNYVFGF-UBHSHLNASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639346302 379302040 /nfs/dbraw/zinc/30/20/40/379302040.db2.gz RQXRVOVYNYVFGF-UBHSHLNASA-N 2 2 272.383 3.027 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc2c1C ZINC000349570602 379308929 /nfs/dbraw/zinc/30/89/29/379308929.db2.gz SOTPNPQQPZXTSK-CYBMUJFWSA-N 2 2 296.418 3.407 20 0 CGADLP FC(F)(F)C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000278430516 379384196 /nfs/dbraw/zinc/38/41/96/379384196.db2.gz TXGBGBONLJZZCR-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000278430516 379384205 /nfs/dbraw/zinc/38/42/05/379384205.db2.gz TXGBGBONLJZZCR-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCCc3ccccc3)CC2)[nH+]1 ZINC000374201148 379392971 /nfs/dbraw/zinc/39/29/71/379392971.db2.gz UJZNTKDDRPPWMF-UHFFFAOYSA-N 2 2 269.392 3.222 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(Cl)cs1 ZINC000278331944 379351961 /nfs/dbraw/zinc/35/19/61/379351961.db2.gz FVYFYLZORDMQGG-UHFFFAOYSA-N 2 2 266.797 3.437 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H](C3CCC3)CC1)CCC2 ZINC000639392558 379357277 /nfs/dbraw/zinc/35/72/77/379357277.db2.gz ZLKKZJHMZTZUJC-OAHLLOKOSA-N 2 2 273.424 3.232 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H](C3CCC3)CC1)CCC2 ZINC000639392558 379357283 /nfs/dbraw/zinc/35/72/83/379357283.db2.gz ZLKKZJHMZTZUJC-OAHLLOKOSA-N 2 2 273.424 3.232 20 0 CGADLP c1coc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000374004686 379358574 /nfs/dbraw/zinc/35/85/74/379358574.db2.gz YTODFZVBCSPJGB-INIZCTEOSA-N 2 2 293.370 3.455 20 0 CGADLP c1coc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000374004686 379358584 /nfs/dbraw/zinc/35/85/84/379358584.db2.gz YTODFZVBCSPJGB-INIZCTEOSA-N 2 2 293.370 3.455 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)n1 ZINC000639538856 379462984 /nfs/dbraw/zinc/46/29/84/379462984.db2.gz WJUGUIBMBDABAX-UHFFFAOYSA-N 2 2 284.407 3.110 20 0 CGADLP C(=C/c1ccccc1)\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266774476 190279933 /nfs/dbraw/zinc/27/99/33/190279933.db2.gz SWKMNLFVSDBLST-QPJJXVBHSA-N 2 2 267.376 3.303 20 0 CGADLP CCCc1csc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000494077239 535455955 /nfs/dbraw/zinc/45/59/55/535455955.db2.gz GKEKGCHVBOZYPI-JSGCOSHPSA-N 2 2 281.469 3.058 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000640037133 379698969 /nfs/dbraw/zinc/69/89/69/379698969.db2.gz QTPFXPYJPYTNCC-UHFFFAOYSA-N 2 2 294.414 3.011 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377261760 379657535 /nfs/dbraw/zinc/65/75/35/379657535.db2.gz LCZNGMRDBATSCL-INIZCTEOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377261760 379657540 /nfs/dbraw/zinc/65/75/40/379657540.db2.gz LCZNGMRDBATSCL-INIZCTEOSA-N 2 2 283.419 3.417 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000639987585 379676976 /nfs/dbraw/zinc/67/69/76/379676976.db2.gz FMPYGYGSQPVCSP-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377410925 379677575 /nfs/dbraw/zinc/67/75/75/379677575.db2.gz KNUBFXDJXNZGIW-ZFWWWQNUSA-N 2 2 299.418 3.407 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377410925 379677591 /nfs/dbraw/zinc/67/75/91/379677591.db2.gz KNUBFXDJXNZGIW-ZFWWWQNUSA-N 2 2 299.418 3.407 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377783498 379738485 /nfs/dbraw/zinc/73/84/85/379738485.db2.gz RQLPYGWGINZDTO-RISCZKNCSA-N 2 2 289.810 3.141 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377783498 379738492 /nfs/dbraw/zinc/73/84/92/379738492.db2.gz RQLPYGWGINZDTO-RISCZKNCSA-N 2 2 289.810 3.141 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377799073 379744435 /nfs/dbraw/zinc/74/44/35/379744435.db2.gz QIEMVYCABFWZQA-WFASDCNBSA-N 2 2 269.392 3.180 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377799073 379744443 /nfs/dbraw/zinc/74/44/43/379744443.db2.gz QIEMVYCABFWZQA-WFASDCNBSA-N 2 2 269.392 3.180 20 0 CGADLP COCc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377830862 379748418 /nfs/dbraw/zinc/74/84/18/379748418.db2.gz ICKVFCUASPCCNL-KRWDZBQOSA-N 2 2 299.418 3.005 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000347741561 218343263 /nfs/dbraw/zinc/34/32/63/218343263.db2.gz XCQULGRDHORVPR-MRXNPFEDSA-N 2 2 287.407 3.481 20 0 CGADLP Cc1ccc([C@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000347741561 218343265 /nfs/dbraw/zinc/34/32/65/218343265.db2.gz XCQULGRDHORVPR-MRXNPFEDSA-N 2 2 287.407 3.481 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)c(F)c3)CC2)c1 ZINC000352330241 379766434 /nfs/dbraw/zinc/76/64/34/379766434.db2.gz MWVDBDQTPKQQDQ-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000381488535 379866701 /nfs/dbraw/zinc/86/67/01/379866701.db2.gz PMFVWWLMHXXAQB-OCCSQVGLSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000381488535 379866706 /nfs/dbraw/zinc/86/67/06/379866706.db2.gz PMFVWWLMHXXAQB-OCCSQVGLSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389198017 379892861 /nfs/dbraw/zinc/89/28/61/379892861.db2.gz XWILZJIXFHEQCR-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389198017 379892872 /nfs/dbraw/zinc/89/28/72/379892872.db2.gz XWILZJIXFHEQCR-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000390785723 379906753 /nfs/dbraw/zinc/90/67/53/379906753.db2.gz OWQMUQUEOCVVAO-SFHVURJKSA-N 2 2 296.414 3.059 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000390785723 379906762 /nfs/dbraw/zinc/90/67/62/379906762.db2.gz OWQMUQUEOCVVAO-SFHVURJKSA-N 2 2 296.414 3.059 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000282734851 379980054 /nfs/dbraw/zinc/98/00/54/379980054.db2.gz SUVJBTMPOOVUBD-CYBMUJFWSA-N 2 2 277.799 3.147 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000400532404 379951386 /nfs/dbraw/zinc/95/13/86/379951386.db2.gz SBOGKZSNSDAWGF-MISXGVKJSA-N 2 2 284.350 3.079 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)s1 ZINC000347854501 218377224 /nfs/dbraw/zinc/37/72/24/218377224.db2.gz CNGOGBXOEDRGBD-DZGCQCFKSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)s1 ZINC000347854501 218377226 /nfs/dbraw/zinc/37/72/26/218377226.db2.gz CNGOGBXOEDRGBD-DZGCQCFKSA-N 2 2 293.480 3.359 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CSC2(C)C)n1-c1ccccc1 ZINC000282895401 380008400 /nfs/dbraw/zinc/00/84/00/380008400.db2.gz TYXZQVIOAZGVFW-HNNXBMFYSA-N 2 2 287.432 3.164 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068333 /nfs/dbraw/zinc/06/83/33/380068333.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068335 /nfs/dbraw/zinc/06/83/35/380068335.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068338 /nfs/dbraw/zinc/06/83/38/380068338.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3csc4ccccc34)[C@H]2C1 ZINC000352995768 380068346 /nfs/dbraw/zinc/06/83/46/380068346.db2.gz NVEPOBHIYDMABD-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066489 380100406 /nfs/dbraw/zinc/10/04/06/380100406.db2.gz MRFRWGOQOVBLQG-BZSNNMDCSA-N 2 2 280.371 3.091 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066489 380100413 /nfs/dbraw/zinc/10/04/13/380100413.db2.gz MRFRWGOQOVBLQG-BZSNNMDCSA-N 2 2 280.371 3.091 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000641797119 380111418 /nfs/dbraw/zinc/11/14/18/380111418.db2.gz UXDISAMYQXQRKS-XJKSGUPXSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000641797119 380111422 /nfs/dbraw/zinc/11/14/22/380111422.db2.gz UXDISAMYQXQRKS-XJKSGUPXSA-N 2 2 299.418 3.209 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000641797400 380111731 /nfs/dbraw/zinc/11/17/31/380111731.db2.gz BVTQTTSBBLCUFJ-INIZCTEOSA-N 2 2 289.448 3.273 20 0 CGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000283976074 380111929 /nfs/dbraw/zinc/11/19/29/380111929.db2.gz GSJONCKMDRZZEV-INIZCTEOSA-N 2 2 297.402 3.256 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000284055310 380120770 /nfs/dbraw/zinc/12/07/70/380120770.db2.gz KLZMMNRLVQCCEB-OAHLLOKOSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)no1 ZINC000284055310 380120777 /nfs/dbraw/zinc/12/07/77/380120777.db2.gz KLZMMNRLVQCCEB-OAHLLOKOSA-N 2 2 299.418 3.082 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]cccc2OCc2ccccc2)C1 ZINC000643030482 380205239 /nfs/dbraw/zinc/20/52/39/380205239.db2.gz VWODTSDJOFLDIC-JKSUJKDBSA-N 2 2 297.402 3.342 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC(C)(C)C[C@@H]1C ZINC000412032471 380156946 /nfs/dbraw/zinc/15/69/46/380156946.db2.gz CGMTVSZAZSHPKY-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC(C)(C)C[C@@H]1C ZINC000412032471 380156954 /nfs/dbraw/zinc/15/69/54/380156954.db2.gz CGMTVSZAZSHPKY-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412032471 380156962 /nfs/dbraw/zinc/15/69/62/380156962.db2.gz CGMTVSZAZSHPKY-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412032471 380156972 /nfs/dbraw/zinc/15/69/72/380156972.db2.gz CGMTVSZAZSHPKY-LSDHHAIUSA-N 2 2 252.446 3.370 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1C=CCCC1 ZINC000353553441 380212619 /nfs/dbraw/zinc/21/26/19/380212619.db2.gz CZVBRVNEUHZXJU-OAHLLOKOSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1C=CCCC1 ZINC000353553441 380212625 /nfs/dbraw/zinc/21/26/25/380212625.db2.gz CZVBRVNEUHZXJU-OAHLLOKOSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)[C@@H]1C=CCCC1)Cc1ccco1 ZINC000353553441 380212628 /nfs/dbraw/zinc/21/26/28/380212628.db2.gz CZVBRVNEUHZXJU-OAHLLOKOSA-N 2 2 262.397 3.142 20 0 CGADLP C[NH+](CCC[N@@H+](C)[C@@H]1C=CCCC1)Cc1ccco1 ZINC000353553441 380212634 /nfs/dbraw/zinc/21/26/34/380212634.db2.gz CZVBRVNEUHZXJU-OAHLLOKOSA-N 2 2 262.397 3.142 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(F)cc2)c[nH+]1 ZINC000353914119 380232344 /nfs/dbraw/zinc/23/23/44/380232344.db2.gz KBSDAFNAUCHZLQ-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)nc1 ZINC000643522197 380337590 /nfs/dbraw/zinc/33/75/90/380337590.db2.gz JMFCNRMSRABTPC-SJLPKXTDSA-N 2 2 299.393 3.042 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500957 380322097 /nfs/dbraw/zinc/32/20/97/380322097.db2.gz KGXSWOTXRGEAOO-UKRRQHHQSA-N 2 2 298.377 3.471 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501290 380322409 /nfs/dbraw/zinc/32/24/09/380322409.db2.gz BRBPJZNXHCGHIB-DOTOQJQBSA-N 2 2 288.435 3.249 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000643501954 380324427 /nfs/dbraw/zinc/32/44/27/380324427.db2.gz USSJHUFDLNRKSN-WFASDCNBSA-N 2 2 250.361 3.009 20 0 CGADLP c1ccc(C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000643506747 380327994 /nfs/dbraw/zinc/32/79/94/380327994.db2.gz HHKSHFRXVPOATO-IBGZPJMESA-N 2 2 280.415 3.312 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000643506764 380328351 /nfs/dbraw/zinc/32/83/51/380328351.db2.gz HWFPTVZYSCPLSM-VXGBXAGGSA-N 2 2 289.448 3.130 20 0 CGADLP COc1ccc([C@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000414672643 380363786 /nfs/dbraw/zinc/36/37/86/380363786.db2.gz BBUWIQNJRQITKJ-DZGCQCFKSA-N 2 2 264.413 3.061 20 0 CGADLP COc1ccc([C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000414672643 380363791 /nfs/dbraw/zinc/36/37/91/380363791.db2.gz BBUWIQNJRQITKJ-DZGCQCFKSA-N 2 2 264.413 3.061 20 0 CGADLP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414687783 380374649 /nfs/dbraw/zinc/37/46/49/380374649.db2.gz IBOBDFQXBVZILT-INIZCTEOSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccccc1C[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414687783 380374655 /nfs/dbraw/zinc/37/46/55/380374655.db2.gz IBOBDFQXBVZILT-INIZCTEOSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1cnc(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)s1 ZINC000414733131 380388882 /nfs/dbraw/zinc/38/88/82/380388882.db2.gz CPORTPRSHXEBMD-AWEZNQCLSA-N 2 2 281.469 3.004 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414749625 380390946 /nfs/dbraw/zinc/39/09/46/380390946.db2.gz WKTKMDINQYFPOH-CHWSQXEVSA-N 2 2 282.378 3.128 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000414749625 380390950 /nfs/dbraw/zinc/39/09/50/380390950.db2.gz WKTKMDINQYFPOH-CHWSQXEVSA-N 2 2 282.378 3.128 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2[nH]ccc2c1 ZINC000643888147 380391674 /nfs/dbraw/zinc/39/16/74/380391674.db2.gz ZZBOUWJCNVFUNI-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2[nH]ccc2c1 ZINC000643888147 380391680 /nfs/dbraw/zinc/39/16/80/380391680.db2.gz ZZBOUWJCNVFUNI-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC000643888147 380391690 /nfs/dbraw/zinc/39/16/90/380391690.db2.gz ZZBOUWJCNVFUNI-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2[nH]ccc2c1 ZINC000643888147 380391692 /nfs/dbraw/zinc/39/16/92/380391692.db2.gz ZZBOUWJCNVFUNI-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP FC(F)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000643902085 380393428 /nfs/dbraw/zinc/39/34/28/380393428.db2.gz BDORIVHJHQXILO-UHFFFAOYSA-N 2 2 294.389 3.240 20 0 CGADLP FC(F)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000643902085 380393431 /nfs/dbraw/zinc/39/34/31/380393431.db2.gz BDORIVHJHQXILO-UHFFFAOYSA-N 2 2 294.389 3.240 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000643527162 380342878 /nfs/dbraw/zinc/34/28/78/380342878.db2.gz KGGAKEMTLIHXSS-BLLLJJGKSA-N 2 2 274.795 3.366 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528488 380344445 /nfs/dbraw/zinc/34/44/45/380344445.db2.gz KCSQHHFTZPBXMQ-RYUDHWBXSA-N 2 2 289.448 3.040 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000414649869 380352716 /nfs/dbraw/zinc/35/27/16/380352716.db2.gz ALVWUNJSUAQTDG-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000414649869 380352721 /nfs/dbraw/zinc/35/27/21/380352721.db2.gz ALVWUNJSUAQTDG-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc2cc1C ZINC000643537446 380353830 /nfs/dbraw/zinc/35/38/30/380353830.db2.gz IIZHQPVPYXQGTI-QEJZJMRPSA-N 2 2 290.382 3.400 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662840 380358268 /nfs/dbraw/zinc/35/82/68/380358268.db2.gz ZVISSVGJPCODMI-BXUZGUMPSA-N 2 2 286.341 3.103 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662840 380358272 /nfs/dbraw/zinc/35/82/72/380358272.db2.gz ZVISSVGJPCODMI-BXUZGUMPSA-N 2 2 286.341 3.103 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414818932 380429659 /nfs/dbraw/zinc/42/96/59/380429659.db2.gz XEMAVDKDILXPHR-CQSZACIVSA-N 2 2 289.448 3.417 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)Oc2ccccc2)c[nH+]1 ZINC000354421580 380432598 /nfs/dbraw/zinc/43/25/98/380432598.db2.gz RRVZWEVSSQIZCB-MRXNPFEDSA-N 2 2 284.403 3.380 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839856 380448311 /nfs/dbraw/zinc/44/83/11/380448311.db2.gz WQONXDYAOOZGHG-XJKSGUPXSA-N 2 2 274.433 3.359 20 0 CGADLP CC(C)COc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414797756 380410347 /nfs/dbraw/zinc/41/03/47/380410347.db2.gz YVGQEKBBXNKOFP-UHFFFAOYSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414797756 380410354 /nfs/dbraw/zinc/41/03/54/380410354.db2.gz YVGQEKBBXNKOFP-UHFFFAOYSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@H](CC[NH+](C)C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354557964 380486169 /nfs/dbraw/zinc/48/61/69/380486169.db2.gz IKRRUNZUCGUGOT-LLVKDONJSA-N 2 2 261.344 3.126 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]1 ZINC000414944218 380500644 /nfs/dbraw/zinc/50/06/44/380500644.db2.gz GIIXBCDRMXGVDZ-WPRPVWTQSA-N 2 2 291.197 3.363 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354633121 380507909 /nfs/dbraw/zinc/50/79/09/380507909.db2.gz NQZOQJRQAGGBFQ-SJORKVTESA-N 2 2 283.419 3.227 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000354496337 380459976 /nfs/dbraw/zinc/45/99/76/380459976.db2.gz HMYIOHBGHXNWQE-DLBZAZTESA-N 2 2 288.435 3.260 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000354517459 380465098 /nfs/dbraw/zinc/46/50/98/380465098.db2.gz XXXNZPZFKLIIOX-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000354517459 380465103 /nfs/dbraw/zinc/46/51/03/380465103.db2.gz XXXNZPZFKLIIOX-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c3cccc(C)n23)c1 ZINC000414873056 380469000 /nfs/dbraw/zinc/46/90/00/380469000.db2.gz WUNQLOJEWYFDBB-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP CCCCc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414881760 380472752 /nfs/dbraw/zinc/47/27/52/380472752.db2.gz LLAVPWOAZRGGPW-CYBMUJFWSA-N 2 2 272.392 3.227 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCc3cc(C)[nH+]c(C)c3)c2c1C ZINC000645258985 380636061 /nfs/dbraw/zinc/63/60/61/380636061.db2.gz FAFBIRZUSQICJV-UHFFFAOYSA-N 2 2 281.363 3.199 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000418110721 380702661 /nfs/dbraw/zinc/70/26/61/380702661.db2.gz CMPQYHCGDSFGKS-UHFFFAOYSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000348383461 218600646 /nfs/dbraw/zinc/60/06/46/218600646.db2.gz DDEMOQYYLGBVSI-KRWDZBQOSA-N 2 2 260.425 3.339 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358371797 381305326 /nfs/dbraw/zinc/30/53/26/381305326.db2.gz AJAMPJDQTCHLGU-BYCMXARLSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358371797 381305335 /nfs/dbraw/zinc/30/53/35/381305335.db2.gz AJAMPJDQTCHLGU-BYCMXARLSA-N 2 2 266.816 3.331 20 0 CGADLP CCc1cc(N2CCn3cc(C)[nH+]c3C2)c2ccccc2[nH+]1 ZINC000359996826 381402375 /nfs/dbraw/zinc/40/23/75/381402375.db2.gz RXDOKIHPOSOGEN-UHFFFAOYSA-N 2 2 292.386 3.322 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000360038722 381420104 /nfs/dbraw/zinc/42/01/04/381420104.db2.gz OFZHIIKQAGYNJT-RYUDHWBXSA-N 2 2 275.421 3.173 20 0 CGADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000334842893 207171156 /nfs/dbraw/zinc/17/11/56/207171156.db2.gz YYYGNVKXHVQWCS-IONNQARKSA-N 2 2 279.236 3.143 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587830 381583679 /nfs/dbraw/zinc/58/36/79/381583679.db2.gz DICSODFUBHBVGC-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(-c2ccncc2)cc1 ZINC000360587830 381583687 /nfs/dbraw/zinc/58/36/87/381583687.db2.gz DICSODFUBHBVGC-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP c1coc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000361150900 381657852 /nfs/dbraw/zinc/65/78/52/381657852.db2.gz RTSCJLXYGFJVHZ-UHFFFAOYSA-N 2 2 299.399 3.212 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000361349435 381711379 /nfs/dbraw/zinc/71/13/79/381711379.db2.gz VGCWPQCDXBTDMQ-SZMVWBNQSA-N 2 2 295.430 3.231 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000361349435 381711382 /nfs/dbraw/zinc/71/13/82/381711382.db2.gz VGCWPQCDXBTDMQ-SZMVWBNQSA-N 2 2 295.430 3.231 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361496932 381775159 /nfs/dbraw/zinc/77/51/59/381775159.db2.gz NYEWPXPZHNALSN-DOTOQJQBSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361496932 381775166 /nfs/dbraw/zinc/77/51/66/381775166.db2.gz NYEWPXPZHNALSN-DOTOQJQBSA-N 2 2 260.425 3.285 20 0 CGADLP Clc1sccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000361552973 381800025 /nfs/dbraw/zinc/80/00/25/381800025.db2.gz NTRBVUJCLXRWIV-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1sccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000361552973 381800033 /nfs/dbraw/zinc/80/00/33/381800033.db2.gz NTRBVUJCLXRWIV-LBPRGKRZSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1sccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361566711 381809365 /nfs/dbraw/zinc/80/93/65/381809365.db2.gz SNHGHIXAYICABL-ZDUSSCGKSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1sccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361566711 381809368 /nfs/dbraw/zinc/80/93/68/381809368.db2.gz SNHGHIXAYICABL-ZDUSSCGKSA-N 2 2 294.807 3.450 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000362700849 382101095 /nfs/dbraw/zinc/10/10/95/382101095.db2.gz WCCLRUFJNDAUBE-ZOWXZIJZSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc3ncsc3c2)[C@@H](C)C1 ZINC000362700849 382101099 /nfs/dbraw/zinc/10/10/99/382101099.db2.gz WCCLRUFJNDAUBE-ZOWXZIJZSA-N 2 2 289.448 3.287 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCS2 ZINC000236260713 542315065 /nfs/dbraw/zinc/31/50/65/542315065.db2.gz JCKJGMSOUYWLGE-JSGCOSHPSA-N 2 2 280.412 3.094 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000367757491 382357018 /nfs/dbraw/zinc/35/70/18/382357018.db2.gz USPHJGQZUJVJNO-GOEBONIOSA-N 2 2 291.414 3.168 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438589 382348129 /nfs/dbraw/zinc/34/81/29/382348129.db2.gz OACIMYCONYPDFH-AWEZNQCLSA-N 2 2 287.432 3.448 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251662076 542347545 /nfs/dbraw/zinc/34/75/45/542347545.db2.gz HCIJJZFXOLBPMK-FIXISWKDSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251662076 542347550 /nfs/dbraw/zinc/34/75/50/542347550.db2.gz HCIJJZFXOLBPMK-FIXISWKDSA-N 2 2 268.351 3.085 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417014 542349928 /nfs/dbraw/zinc/34/99/28/542349928.db2.gz PZIHBZWQIDWHJD-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417014 542349933 /nfs/dbraw/zinc/34/99/33/542349933.db2.gz PZIHBZWQIDWHJD-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000279843470 194596081 /nfs/dbraw/zinc/59/60/81/194596081.db2.gz ZYZPSMSVWJFAGL-QAPCUYQASA-N 2 2 284.403 3.298 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335019009 207479020 /nfs/dbraw/zinc/47/90/20/207479020.db2.gz ZCRMGZNBRYBKPV-LBPRGKRZSA-N 2 2 264.800 3.229 20 0 CGADLP COc1ccsc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359456124 533095060 /nfs/dbraw/zinc/09/50/60/533095060.db2.gz LCUDWHHEGJERGY-UHFFFAOYSA-N 2 2 290.432 3.108 20 0 CGADLP COc1ccsc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359456124 533095062 /nfs/dbraw/zinc/09/50/62/533095062.db2.gz LCUDWHHEGJERGY-UHFFFAOYSA-N 2 2 290.432 3.108 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2[nH]1 ZINC000353823951 220350405 /nfs/dbraw/zinc/35/04/05/220350405.db2.gz MTWMEHUGNANCMY-SGTLLEGYSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc2[nH]1 ZINC000353823951 220350408 /nfs/dbraw/zinc/35/04/08/220350408.db2.gz MTWMEHUGNANCMY-SGTLLEGYSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccccc1F ZINC000289156343 197248836 /nfs/dbraw/zinc/24/88/36/197248836.db2.gz DFCHKRKHTIFHSI-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000423236010 533117601 /nfs/dbraw/zinc/11/76/01/533117601.db2.gz HBUUNAOPOGAAEL-MLGOLLRUSA-N 2 2 288.366 3.185 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000288972300 197203544 /nfs/dbraw/zinc/20/35/44/197203544.db2.gz BUVNYGKXADVTRU-LJQANCHMSA-N 2 2 296.414 3.396 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000288972300 197203545 /nfs/dbraw/zinc/20/35/45/197203545.db2.gz BUVNYGKXADVTRU-LJQANCHMSA-N 2 2 296.414 3.396 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000423247298 533169224 /nfs/dbraw/zinc/16/92/24/533169224.db2.gz LBSOOBYNEARSFL-KBXCAEBGSA-N 2 2 284.403 3.354 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293977887 542404116 /nfs/dbraw/zinc/40/41/16/542404116.db2.gz DLDOCESJAWQGBQ-CQSZACIVSA-N 2 2 269.392 3.329 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCCOC3)ccc2n1C1CC1 ZINC000338784304 542485296 /nfs/dbraw/zinc/48/52/96/542485296.db2.gz ILSVKZNFPMEPDT-AWEZNQCLSA-N 2 2 299.418 3.202 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@H]2C2CC2)[nH+]1 ZINC000348104577 542514998 /nfs/dbraw/zinc/51/49/98/542514998.db2.gz QQTXKPSDAKOKJJ-ROUUACIJSA-N 2 2 295.430 3.252 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)c2)c[nH+]1 ZINC000348106994 542515738 /nfs/dbraw/zinc/51/57/38/542515738.db2.gz QAXDIFQZSXULHU-ZWKOTPCHSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353677688 542560006 /nfs/dbraw/zinc/56/00/06/542560006.db2.gz YXLZPXYHXGTXMZ-YCPHGPKFSA-N 2 2 286.423 3.060 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353677686 542560196 /nfs/dbraw/zinc/56/01/96/542560196.db2.gz YXLZPXYHXGTXMZ-FMKPAKJESA-N 2 2 286.423 3.060 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354189774 542561597 /nfs/dbraw/zinc/56/15/97/542561597.db2.gz MWOPJRKXOPYXAI-PNESKVBLSA-N 2 2 280.378 3.285 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354189774 542561598 /nfs/dbraw/zinc/56/15/98/542561598.db2.gz MWOPJRKXOPYXAI-PNESKVBLSA-N 2 2 280.378 3.285 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423315067 533411421 /nfs/dbraw/zinc/41/14/21/533411421.db2.gz IHQYIBSQUQEMMR-IUODEOHRSA-N 2 2 270.376 3.335 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423253884 533411931 /nfs/dbraw/zinc/41/19/31/533411931.db2.gz WTOFBCFFESYSPI-GRGSLBFTSA-N 2 2 280.415 3.468 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000173352084 533418825 /nfs/dbraw/zinc/41/88/25/533418825.db2.gz DQSRRKCDMSFVSR-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000173352084 533418828 /nfs/dbraw/zinc/41/88/28/533418828.db2.gz DQSRRKCDMSFVSR-RISCZKNCSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000423241321 533430803 /nfs/dbraw/zinc/43/08/03/533430803.db2.gz LIMSRNOTJJKUDQ-BMIGLBTASA-N 2 2 294.320 3.455 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cnc2ccsc2c1 ZINC000427882979 533527514 /nfs/dbraw/zinc/52/75/14/533527514.db2.gz CNERXBFFNAJICI-DGCLKSJQSA-N 2 2 298.415 3.158 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)[C@H](C)[NH3+] ZINC000423442255 533502628 /nfs/dbraw/zinc/50/26/28/533502628.db2.gz BLQLMUQLDJKTQT-MJBXVCDLSA-N 2 2 285.391 3.260 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(F)ccc1F ZINC000423532412 533536495 /nfs/dbraw/zinc/53/64/95/533536495.db2.gz RCEHHOKXQVGTNI-MEBBXXQBSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(F)c1F ZINC000423503083 533536686 /nfs/dbraw/zinc/53/66/86/533536686.db2.gz MLBVVAKKCDTXDB-QMTHXVAHSA-N 2 2 268.351 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423545844 533541296 /nfs/dbraw/zinc/54/12/96/533541296.db2.gz DUIQECFNBZVBKK-RISCZKNCSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133462149 533655345 /nfs/dbraw/zinc/65/53/45/533655345.db2.gz OGMSXUNJXQRBLJ-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133462149 533655356 /nfs/dbraw/zinc/65/53/56/533655356.db2.gz OGMSXUNJXQRBLJ-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)CC[NH2+]1 ZINC000423380011 533658041 /nfs/dbraw/zinc/65/80/41/533658041.db2.gz MMIIHGZQWTUXMB-UKPHBRMFSA-N 2 2 270.376 3.099 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000379435228 542594072 /nfs/dbraw/zinc/59/40/72/542594072.db2.gz JUVOSZMDQOGAGH-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000379435228 542594075 /nfs/dbraw/zinc/59/40/75/542594075.db2.gz JUVOSZMDQOGAGH-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000380863958 542595853 /nfs/dbraw/zinc/59/58/53/542595853.db2.gz WNIQGLBAVJDTTA-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000380863958 542595856 /nfs/dbraw/zinc/59/58/56/542595856.db2.gz WNIQGLBAVJDTTA-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000389165754 542606558 /nfs/dbraw/zinc/60/65/58/542606558.db2.gz MNKFVHDKCVWDBC-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000389165754 542606561 /nfs/dbraw/zinc/60/65/61/542606561.db2.gz MNKFVHDKCVWDBC-CVEARBPZSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000381186352 542596748 /nfs/dbraw/zinc/59/67/48/542596748.db2.gz HUEBPWRWPSYJQJ-DOTOQJQBSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000381186352 542596750 /nfs/dbraw/zinc/59/67/50/542596750.db2.gz HUEBPWRWPSYJQJ-DOTOQJQBSA-N 2 2 260.425 3.082 20 0 CGADLP FC1(F)CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000381877393 542599156 /nfs/dbraw/zinc/59/91/56/542599156.db2.gz NLLBPWMKSVPVQB-HZPDHXFCSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381877393 542599161 /nfs/dbraw/zinc/59/91/61/542599161.db2.gz NLLBPWMKSVPVQB-HZPDHXFCSA-N 2 2 294.389 3.428 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(F)c2)C1 ZINC000389193431 542607584 /nfs/dbraw/zinc/60/75/84/542607584.db2.gz WCMGBLRZYJBMMY-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc(F)c2)C1 ZINC000389193431 542607589 /nfs/dbraw/zinc/60/75/89/542607589.db2.gz WCMGBLRZYJBMMY-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccsc1 ZINC000191180676 130197117 /nfs/dbraw/zinc/19/71/17/130197117.db2.gz TUOYRKSPFCVCMO-CQSZACIVSA-N 2 2 263.410 3.466 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000032121418 391966651 /nfs/dbraw/zinc/96/66/51/391966651.db2.gz VYXRJFFPUUAGDU-UHFFFAOYSA-N 2 2 274.795 3.301 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000032121418 391966661 /nfs/dbraw/zinc/96/66/61/391966661.db2.gz VYXRJFFPUUAGDU-UHFFFAOYSA-N 2 2 274.795 3.301 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423069890 542647094 /nfs/dbraw/zinc/64/70/94/542647094.db2.gz FIMABMCYKYTBDJ-CXAGYDPISA-N 2 2 258.409 3.184 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000361747308 392310774 /nfs/dbraw/zinc/31/07/74/392310774.db2.gz ZISSDQVHOHSBOB-DZGCQCFKSA-N 2 2 298.430 3.499 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000361747308 392310777 /nfs/dbraw/zinc/31/07/77/392310777.db2.gz ZISSDQVHOHSBOB-DZGCQCFKSA-N 2 2 298.430 3.499 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000104949731 392282074 /nfs/dbraw/zinc/28/20/74/392282074.db2.gz GRRBCLFXBMLUOD-KRWDZBQOSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000104949731 392282075 /nfs/dbraw/zinc/28/20/75/392282075.db2.gz GRRBCLFXBMLUOD-KRWDZBQOSA-N 2 2 287.451 3.026 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278704 392340780 /nfs/dbraw/zinc/34/07/80/392340780.db2.gz ANONTFYPWLVVIG-JLLWLGSASA-N 2 2 285.218 3.206 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278704 392340784 /nfs/dbraw/zinc/34/07/84/392340784.db2.gz ANONTFYPWLVVIG-JLLWLGSASA-N 2 2 285.218 3.206 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000361844735 392343557 /nfs/dbraw/zinc/34/35/57/392343557.db2.gz XIVSYTDATLCAOA-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000361844735 392343560 /nfs/dbraw/zinc/34/35/60/392343560.db2.gz XIVSYTDATLCAOA-GOSISDBHSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000246985182 131099014 /nfs/dbraw/zinc/09/90/14/131099014.db2.gz RHZCEVPYGKVNAK-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000246985182 131099016 /nfs/dbraw/zinc/09/90/16/131099016.db2.gz RHZCEVPYGKVNAK-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246985893 131099131 /nfs/dbraw/zinc/09/91/31/131099131.db2.gz JCPYKKGZRKQBPS-ZOBUZTSGSA-N 2 2 299.418 3.074 20 0 CGADLP CCCC[C@H](CC)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000438112219 542662124 /nfs/dbraw/zinc/66/21/24/542662124.db2.gz YZDGLMRGKDWTKH-ROUUACIJSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@H](CC)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000438112219 542662128 /nfs/dbraw/zinc/66/21/28/542662128.db2.gz YZDGLMRGKDWTKH-ROUUACIJSA-N 2 2 296.499 3.247 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251057329 131128104 /nfs/dbraw/zinc/12/81/04/131128104.db2.gz VXSPUQJMQHDAOG-ZBFHGGJFSA-N 2 2 273.424 3.100 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251057329 131128106 /nfs/dbraw/zinc/12/81/06/131128106.db2.gz VXSPUQJMQHDAOG-ZBFHGGJFSA-N 2 2 273.424 3.100 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000348266388 285490046 /nfs/dbraw/zinc/49/00/46/285490046.db2.gz YGSGGJLUCGPYDK-MSOLQXFVSA-N 2 2 272.436 3.256 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459341084 542693992 /nfs/dbraw/zinc/69/39/92/542693992.db2.gz DWKZQQNAZXKCST-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459341084 542693994 /nfs/dbraw/zinc/69/39/94/542693994.db2.gz DWKZQQNAZXKCST-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367065164 392465511 /nfs/dbraw/zinc/46/55/11/392465511.db2.gz HCQPMQGJCJQCKR-ZBFHGGJFSA-N 2 2 275.440 3.038 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103241 392487052 /nfs/dbraw/zinc/48/70/52/392487052.db2.gz UGWICGXYTAKOBC-JKSUJKDBSA-N 2 2 283.419 3.186 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103241 392487055 /nfs/dbraw/zinc/48/70/55/392487055.db2.gz UGWICGXYTAKOBC-JKSUJKDBSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(C)[nH+]1 ZINC000301064993 392584806 /nfs/dbraw/zinc/58/48/06/392584806.db2.gz HVOOGIKTGWGOTA-QGZVFWFLSA-N 2 2 296.418 3.342 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cn2)CC1 ZINC000161802862 392586808 /nfs/dbraw/zinc/58/68/08/392586808.db2.gz MRVZAPAJPFVEIL-OAHLLOKOSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301708434 392596939 /nfs/dbraw/zinc/59/69/39/392596939.db2.gz HAYCMJDJLYARMZ-FUHWJXTLSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301708434 392596943 /nfs/dbraw/zinc/59/69/43/392596943.db2.gz HAYCMJDJLYARMZ-FUHWJXTLSA-N 2 2 295.430 3.464 20 0 CGADLP CCc1cnc(C[N@H+](C)CCCCn2cc[nH+]c2C)s1 ZINC000163219458 392602866 /nfs/dbraw/zinc/60/28/66/392602866.db2.gz VSRFHXFAWAQVHD-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCc1cnc(C[N@@H+](C)CCCCn2cc[nH+]c2C)s1 ZINC000163219458 392602871 /nfs/dbraw/zinc/60/28/71/392602871.db2.gz VSRFHXFAWAQVHD-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634429 392683284 /nfs/dbraw/zinc/68/32/84/392683284.db2.gz AWJWYIMLWITXNG-IRXDYDNUSA-N 2 2 276.399 3.041 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634429 392683290 /nfs/dbraw/zinc/68/32/90/392683290.db2.gz AWJWYIMLWITXNG-IRXDYDNUSA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634429 392683299 /nfs/dbraw/zinc/68/32/99/392683299.db2.gz AWJWYIMLWITXNG-IRXDYDNUSA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000374634429 392683303 /nfs/dbraw/zinc/68/33/03/392683303.db2.gz AWJWYIMLWITXNG-IRXDYDNUSA-N 2 2 276.399 3.041 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C/c1ccccc1)CCC2 ZINC000372582469 392620819 /nfs/dbraw/zinc/62/08/19/392620819.db2.gz IUSFXVBPHAWFIH-MPNRVQBSSA-N 2 2 281.403 3.372 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000647291356 392642616 /nfs/dbraw/zinc/64/26/16/392642616.db2.gz NEMMETIZDYWROF-FHLIZLRMSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000647291356 392642620 /nfs/dbraw/zinc/64/26/20/392642620.db2.gz NEMMETIZDYWROF-FHLIZLRMSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000373764015 392663558 /nfs/dbraw/zinc/66/35/58/392663558.db2.gz ZJUXTZNGAGYKGR-CGZBRXJRSA-N 2 2 282.472 3.044 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479846 392734888 /nfs/dbraw/zinc/73/48/88/392734888.db2.gz WNRTXBIQESITJN-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479846 392734894 /nfs/dbraw/zinc/73/48/94/392734894.db2.gz WNRTXBIQESITJN-FZMZJTMJSA-N 2 2 284.856 3.366 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCC1CC1)CCC2 ZINC000375094179 392736432 /nfs/dbraw/zinc/73/64/32/392736432.db2.gz KXUDRRQWMIJFEL-SWLSCSKDSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@H]3C3CCC3)cn21 ZINC000647364044 392708719 /nfs/dbraw/zinc/70/87/19/392708719.db2.gz QUVIHOIKPHSUNH-IRXDYDNUSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCc4occc43)cn21 ZINC000647364058 392709002 /nfs/dbraw/zinc/70/90/02/392709002.db2.gz QWTHSMCAKUPJGR-INIZCTEOSA-N 2 2 295.386 3.445 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334252660 392714615 /nfs/dbraw/zinc/71/46/15/392714615.db2.gz LKLWPETXQRCKJO-AWEZNQCLSA-N 2 2 261.413 3.055 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334252660 392714616 /nfs/dbraw/zinc/71/46/16/392714616.db2.gz LKLWPETXQRCKJO-AWEZNQCLSA-N 2 2 261.413 3.055 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CCC2)c1 ZINC000647802414 392803058 /nfs/dbraw/zinc/80/30/58/392803058.db2.gz KMVNADKFSJKXJZ-HOCLYGCPSA-N 2 2 258.409 3.104 20 0 CGADLP Clc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000647801546 392803800 /nfs/dbraw/zinc/80/38/00/392803800.db2.gz XUNJFVSSZKLXQP-FUNVUKJBSA-N 2 2 276.811 3.202 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510682210 392808454 /nfs/dbraw/zinc/80/84/54/392808454.db2.gz CNXIWPMGETWCTJ-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510682210 392808458 /nfs/dbraw/zinc/80/84/58/392808458.db2.gz CNXIWPMGETWCTJ-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510701331 392809858 /nfs/dbraw/zinc/80/98/58/392809858.db2.gz HKPAZRBLWWXROF-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510701331 392809861 /nfs/dbraw/zinc/80/98/61/392809861.db2.gz HKPAZRBLWWXROF-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000510704148 392809947 /nfs/dbraw/zinc/80/99/47/392809947.db2.gz PGCDXBQTBRMMOL-OKZBNKHCSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(C)ccn1)CCC2 ZINC000375839576 392829871 /nfs/dbraw/zinc/82/98/71/392829871.db2.gz NFMDGSWPTWUNDB-CABCVRRESA-N 2 2 284.407 3.123 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@H]1CCc2[nH+]ccn2C1 ZINC000519772296 392893320 /nfs/dbraw/zinc/89/33/20/392893320.db2.gz SACKNKZKEGNQNC-CQSZACIVSA-N 2 2 292.386 3.414 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@@H+]1C ZINC000194412959 392918973 /nfs/dbraw/zinc/91/89/73/392918973.db2.gz QDLSWEMOKBAMDO-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@H+]1C ZINC000194412959 392918976 /nfs/dbraw/zinc/91/89/76/392918976.db2.gz QDLSWEMOKBAMDO-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412959 392918980 /nfs/dbraw/zinc/91/89/80/392918980.db2.gz QDLSWEMOKBAMDO-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412959 392918982 /nfs/dbraw/zinc/91/89/82/392918982.db2.gz QDLSWEMOKBAMDO-JQWIXIFHSA-N 2 2 272.845 3.316 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC000380605767 392904594 /nfs/dbraw/zinc/90/45/94/392904594.db2.gz FWRAPTKCADNGCI-KGLIPLIRSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC000380605767 392904599 /nfs/dbraw/zinc/90/45/99/392904599.db2.gz FWRAPTKCADNGCI-KGLIPLIRSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000380605767 392904608 /nfs/dbraw/zinc/90/46/08/392904608.db2.gz FWRAPTKCADNGCI-KGLIPLIRSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000380605767 392904615 /nfs/dbraw/zinc/90/46/15/392904615.db2.gz FWRAPTKCADNGCI-KGLIPLIRSA-N 2 2 298.858 3.034 20 0 CGADLP C[C@]1(c2ccc(F)cc2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000376021325 392853489 /nfs/dbraw/zinc/85/34/89/392853489.db2.gz LAUZNCNKPOXNMJ-KRWDZBQOSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000376021325 392853498 /nfs/dbraw/zinc/85/34/98/392853498.db2.gz LAUZNCNKPOXNMJ-KRWDZBQOSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)[N@H+](C)C1CC1 ZINC000192833035 392862669 /nfs/dbraw/zinc/86/26/69/392862669.db2.gz RNSAFKKUDUDVOG-GUYCJALGSA-N 2 2 273.424 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)[N@@H+](C)C1CC1 ZINC000192833035 392862673 /nfs/dbraw/zinc/86/26/73/392862673.db2.gz RNSAFKKUDUDVOG-GUYCJALGSA-N 2 2 273.424 3.006 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000517023965 392867267 /nfs/dbraw/zinc/86/72/67/392867267.db2.gz GUSBKNKYHVMSMI-KGLIPLIRSA-N 2 2 264.413 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C[N@@H+]1C1CC1 ZINC000390541271 392926718 /nfs/dbraw/zinc/92/67/18/392926718.db2.gz HIQLXZRROSMSSP-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C[N@H+]1C1CC1 ZINC000390541271 392926724 /nfs/dbraw/zinc/92/67/24/392926724.db2.gz HIQLXZRROSMSSP-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000194835426 392939714 /nfs/dbraw/zinc/93/97/14/392939714.db2.gz JLFGKWXWCKWYAI-CYBMUJFWSA-N 2 2 264.438 3.155 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000194835412 392940252 /nfs/dbraw/zinc/94/02/52/392940252.db2.gz JLFGKWXWCKWYAI-ZDUSSCGKSA-N 2 2 264.438 3.155 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514083105 542733910 /nfs/dbraw/zinc/73/39/10/542733910.db2.gz JSLXPKCDNHFCGT-MSOLQXFVSA-N 2 2 283.419 3.456 20 0 CGADLP CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000195199277 392961498 /nfs/dbraw/zinc/96/14/98/392961498.db2.gz APPKTAPRUSHVAO-QGZVFWFLSA-N 2 2 287.407 3.115 20 0 CGADLP CCC[C@]1(COC)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000195199277 392961500 /nfs/dbraw/zinc/96/15/00/392961500.db2.gz APPKTAPRUSHVAO-QGZVFWFLSA-N 2 2 287.407 3.115 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000466419236 393029185 /nfs/dbraw/zinc/02/91/85/393029185.db2.gz INZZRGIBTLOTIL-MRXNPFEDSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)[C@H](C)[NH3+] ZINC000415003504 393087848 /nfs/dbraw/zinc/08/78/48/393087848.db2.gz GAUIGPYHGQCGMZ-JGVFFNPUSA-N 2 2 280.721 3.184 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1sccc1Cl)C1CCCC1 ZINC000415043575 393109578 /nfs/dbraw/zinc/10/95/78/393109578.db2.gz APYSETWXKYYVKC-NSHDSACASA-N 2 2 258.818 3.009 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000343798179 393034297 /nfs/dbraw/zinc/03/42/97/393034297.db2.gz PCRXOYQTJZJQAO-WWGRRREGSA-N 2 2 267.376 3.036 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648465001 393035123 /nfs/dbraw/zinc/03/51/23/393035123.db2.gz NJNIVFKZUFYGPF-MFKMUULPSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465001 393035127 /nfs/dbraw/zinc/03/51/27/393035127.db2.gz NJNIVFKZUFYGPF-MFKMUULPSA-N 2 2 293.798 3.054 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414114817 393039617 /nfs/dbraw/zinc/03/96/17/393039617.db2.gz MEFGZROCGHICIK-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414114817 393039621 /nfs/dbraw/zinc/03/96/21/393039621.db2.gz MEFGZROCGHICIK-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000414674703 393050682 /nfs/dbraw/zinc/05/06/82/393050682.db2.gz FARIIRDADBIDGL-SWLSCSKDSA-N 2 2 252.377 3.192 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000414674703 393050688 /nfs/dbraw/zinc/05/06/88/393050688.db2.gz FARIIRDADBIDGL-SWLSCSKDSA-N 2 2 252.377 3.192 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414779624 393054201 /nfs/dbraw/zinc/05/42/01/393054201.db2.gz AABMPVFIKCRIDB-LNSITVRQSA-N 2 2 298.352 3.103 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000414779624 393054205 /nfs/dbraw/zinc/05/42/05/393054205.db2.gz AABMPVFIKCRIDB-LNSITVRQSA-N 2 2 298.352 3.103 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414953248 393061166 /nfs/dbraw/zinc/06/11/66/393061166.db2.gz JLEHMBWMVLIGBA-OAHLLOKOSA-N 2 2 299.418 3.270 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414954851 393063191 /nfs/dbraw/zinc/06/31/91/393063191.db2.gz NMOCTFMBIVAYTG-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(C)(C)C3)sc2C1 ZINC000346189888 393078009 /nfs/dbraw/zinc/07/80/09/393078009.db2.gz AESIXQYYQZXBTC-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(C)(C)C3)sc2C1 ZINC000346189888 393078012 /nfs/dbraw/zinc/07/80/12/393078012.db2.gz AESIXQYYQZXBTC-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC(C)(C)C3)sc2C1 ZINC000346189888 393078015 /nfs/dbraw/zinc/07/80/15/393078015.db2.gz AESIXQYYQZXBTC-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC(C)(C)C3)sc2C1 ZINC000346189888 393078018 /nfs/dbraw/zinc/07/80/18/393078018.db2.gz AESIXQYYQZXBTC-UHFFFAOYSA-N 2 2 293.480 3.142 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccccc1Br)C1CCCC1 ZINC000415044344 393111185 /nfs/dbraw/zinc/11/11/85/393111185.db2.gz BRYWKRDLUUBHIK-AWEZNQCLSA-N 2 2 297.240 3.056 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000415050864 393112671 /nfs/dbraw/zinc/11/26/71/393112671.db2.gz DFXRBDNRRRUOIA-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415055168 393117001 /nfs/dbraw/zinc/11/70/01/393117001.db2.gz RDWKWJDEJKYMAE-WFRZBGSESA-N 2 2 296.389 3.184 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000348426198 393123387 /nfs/dbraw/zinc/12/33/87/393123387.db2.gz WDJQBOBAHGKANJ-DAYGRLMNSA-N 2 2 287.451 3.385 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCC1 ZINC000415068886 393126549 /nfs/dbraw/zinc/12/65/49/393126549.db2.gz RQBOFSRCSVHZOV-HNNXBMFYSA-N 2 2 293.480 3.408 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC000415069170 393128483 /nfs/dbraw/zinc/12/84/83/393128483.db2.gz OFRIOVDLYXPTJA-LLVKDONJSA-N 2 2 290.304 3.076 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2c(F)cncc2F)c[nH+]1 ZINC000348839105 393132366 /nfs/dbraw/zinc/13/23/66/393132366.db2.gz UIUTWAJCQDRYGR-LBPRGKRZSA-N 2 2 291.345 3.347 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC000415114749 393149434 /nfs/dbraw/zinc/14/94/34/393149434.db2.gz TZYKLPCOOFMNCN-YXJHDRRASA-N 2 2 281.403 3.226 20 0 CGADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000548173178 393185086 /nfs/dbraw/zinc/18/50/86/393185086.db2.gz BHJVNCYZWWEUGX-MRXNPFEDSA-N 2 2 271.408 3.132 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000649287297 393392050 /nfs/dbraw/zinc/39/20/50/393392050.db2.gz FAAXMITZFZEUOH-MRXNPFEDSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000649287297 393392056 /nfs/dbraw/zinc/39/20/56/393392056.db2.gz FAAXMITZFZEUOH-MRXNPFEDSA-N 2 2 289.810 3.416 20 0 CGADLP O=C(CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000649287367 393392575 /nfs/dbraw/zinc/39/25/75/393392575.db2.gz YOFJOTXGXBYIJH-QGZVFWFLSA-N 2 2 297.402 3.183 20 0 CGADLP O=C(CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000649287367 393392576 /nfs/dbraw/zinc/39/25/76/393392576.db2.gz YOFJOTXGXBYIJH-QGZVFWFLSA-N 2 2 297.402 3.183 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000355732355 393337601 /nfs/dbraw/zinc/33/76/01/393337601.db2.gz IZTHIZNJQQZSII-INIZCTEOSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CC(C)(C)OC1(C)C)Cc1ccccc1 ZINC000355732355 393337608 /nfs/dbraw/zinc/33/76/08/393337608.db2.gz IZTHIZNJQQZSII-INIZCTEOSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000474802811 393350023 /nfs/dbraw/zinc/35/00/23/393350023.db2.gz TXYPLKWNJUPVQO-BZUAXINKSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@@H]3CC=CCC3)cn21 ZINC000647262307 393421024 /nfs/dbraw/zinc/42/10/24/393421024.db2.gz SACWLWIBABJVFA-OAHLLOKOSA-N 2 2 269.392 3.131 20 0 CGADLP Cc1ccc(CC[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000420385431 393480528 /nfs/dbraw/zinc/48/05/28/393480528.db2.gz GQYGQKIBALAMKR-PKOBYXMFSA-N 2 2 298.405 3.103 20 0 CGADLP Cc1ccc(CC[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000420385431 393480531 /nfs/dbraw/zinc/48/05/31/393480531.db2.gz GQYGQKIBALAMKR-PKOBYXMFSA-N 2 2 298.405 3.103 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000420283585 393449409 /nfs/dbraw/zinc/44/94/09/393449409.db2.gz CFAFJBHWTBPFLZ-DOMZBBRYSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000420283585 393449421 /nfs/dbraw/zinc/44/94/21/393449421.db2.gz CFAFJBHWTBPFLZ-DOMZBBRYSA-N 2 2 296.842 3.296 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000420326283 393467529 /nfs/dbraw/zinc/46/75/29/393467529.db2.gz XCRCMFUGRPVSCN-JTQLQIEISA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000420326283 393467535 /nfs/dbraw/zinc/46/75/35/393467535.db2.gz XCRCMFUGRPVSCN-JTQLQIEISA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(OC(F)F)cc1 ZINC000420363275 393474336 /nfs/dbraw/zinc/47/43/36/393474336.db2.gz JHOAJRFFDOPTLT-JUFZMCDQSA-N 2 2 298.377 3.325 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429551152 393476759 /nfs/dbraw/zinc/47/67/59/393476759.db2.gz DFJZWORNTVMLCS-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429551152 393476765 /nfs/dbraw/zinc/47/67/65/393476765.db2.gz DFJZWORNTVMLCS-TZMCWYRMSA-N 2 2 282.378 3.442 20 0 CGADLP CCCC[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903847 393540073 /nfs/dbraw/zinc/54/00/73/393540073.db2.gz OOJHCXKFESYELS-UHFFFAOYSA-N 2 2 290.451 3.141 20 0 CGADLP CCCC[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903847 393540078 /nfs/dbraw/zinc/54/00/78/393540078.db2.gz OOJHCXKFESYELS-UHFFFAOYSA-N 2 2 290.451 3.141 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000488349442 393492921 /nfs/dbraw/zinc/49/29/21/393492921.db2.gz OZPVKSSVUWADLD-OIISXLGYSA-N 2 2 258.409 3.069 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000488366488 393497191 /nfs/dbraw/zinc/49/71/91/393497191.db2.gz LLWUOGKUWKAMPT-DJIMGWMZSA-N 2 2 258.409 3.069 20 0 CGADLP COc1ccc([C@H](C[NH2+]C[C@H]2C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000488365957 393497403 /nfs/dbraw/zinc/49/74/03/393497403.db2.gz KFAARQLGFLCNSO-LESCRADOSA-N 2 2 288.435 3.078 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000356973599 393504668 /nfs/dbraw/zinc/50/46/68/393504668.db2.gz CQKYREYTFGOJTO-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000356973599 393504673 /nfs/dbraw/zinc/50/46/73/393504673.db2.gz CQKYREYTFGOJTO-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986934 393505844 /nfs/dbraw/zinc/50/58/44/393505844.db2.gz ZZPCRWWXMDVGLW-XWTMOSNGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCO1 ZINC000356986934 393505849 /nfs/dbraw/zinc/50/58/49/393505849.db2.gz ZZPCRWWXMDVGLW-XWTMOSNGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCO1 ZINC000356986934 393505853 /nfs/dbraw/zinc/50/58/53/393505853.db2.gz ZZPCRWWXMDVGLW-XWTMOSNGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCO1 ZINC000356986934 393505855 /nfs/dbraw/zinc/50/58/55/393505855.db2.gz ZZPCRWWXMDVGLW-XWTMOSNGSA-N 2 2 294.483 3.139 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CS1 ZINC000488432432 393511133 /nfs/dbraw/zinc/51/11/33/393511133.db2.gz IPPYTGBXUJVEED-BZUAXINKSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000488434617 393511875 /nfs/dbraw/zinc/51/18/75/393511875.db2.gz QEHFGJRGZSPAND-CABCVRRESA-N 2 2 284.513 3.371 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430029979 393513552 /nfs/dbraw/zinc/51/35/52/393513552.db2.gz ZEJVATVXZFTGNP-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000358014103 393519304 /nfs/dbraw/zinc/51/93/04/393519304.db2.gz BNEAGLMKWMAHEM-KBRIMQKVSA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000358014103 393519306 /nfs/dbraw/zinc/51/93/06/393519306.db2.gz BNEAGLMKWMAHEM-KBRIMQKVSA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000358387354 393525421 /nfs/dbraw/zinc/52/54/21/393525421.db2.gz BJDBYPXTWUVTJA-KCPJHIHWSA-N 2 2 294.826 3.093 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000430141756 393528936 /nfs/dbraw/zinc/52/89/36/393528936.db2.gz YNGXDJRFEGSSFX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000430141756 393528940 /nfs/dbraw/zinc/52/89/40/393528940.db2.gz YNGXDJRFEGSSFX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430141756 393528941 /nfs/dbraw/zinc/52/89/41/393528941.db2.gz YNGXDJRFEGSSFX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430141756 393528947 /nfs/dbraw/zinc/52/89/47/393528947.db2.gz YNGXDJRFEGSSFX-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(C)(C)C)cc1 ZINC000665276488 542799503 /nfs/dbraw/zinc/79/95/03/542799503.db2.gz DRBIJKMPMJHDHA-VNSJNIRKSA-N 2 2 272.436 3.387 20 0 CGADLP CCCCc1nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000430539021 393572650 /nfs/dbraw/zinc/57/26/50/393572650.db2.gz DEDPOHPGNNRBKQ-CQSZACIVSA-N 2 2 283.485 3.291 20 0 CGADLP CCCCc1nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000430539021 393572656 /nfs/dbraw/zinc/57/26/56/393572656.db2.gz DEDPOHPGNNRBKQ-CQSZACIVSA-N 2 2 283.485 3.291 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)o1 ZINC000430562293 393575007 /nfs/dbraw/zinc/57/50/07/393575007.db2.gz QGNSIYUTXJFNCL-OAHLLOKOSA-N 2 2 293.436 3.175 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000430549301 393572422 /nfs/dbraw/zinc/57/24/22/393572422.db2.gz INBLOGBJFQURBL-ZDUSSCGKSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000430549301 393572428 /nfs/dbraw/zinc/57/24/28/393572428.db2.gz INBLOGBJFQURBL-ZDUSSCGKSA-N 2 2 284.856 3.116 20 0 CGADLP c1cc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cs1 ZINC000666855239 542820649 /nfs/dbraw/zinc/82/06/49/542820649.db2.gz GSVRGOPLSDLUPP-LBPRGKRZSA-N 2 2 293.461 3.103 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1c(Cl)ccc2cccnc21)C1CC1 ZINC000430572949 393578329 /nfs/dbraw/zinc/57/83/29/393578329.db2.gz KZXFOKRBEJGLIL-MRXNPFEDSA-N 2 2 289.810 3.105 20 0 CGADLP CC(C)[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccsc1 ZINC000421018865 393578659 /nfs/dbraw/zinc/57/86/59/393578659.db2.gz XITYXRGZKFVTJG-ZDUSSCGKSA-N 2 2 277.437 3.496 20 0 CGADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccsc1 ZINC000421018865 393578668 /nfs/dbraw/zinc/57/86/68/393578668.db2.gz XITYXRGZKFVTJG-ZDUSSCGKSA-N 2 2 277.437 3.496 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430643887 393582905 /nfs/dbraw/zinc/58/29/05/393582905.db2.gz MSZBEGNWJNPXOT-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430643887 393582908 /nfs/dbraw/zinc/58/29/08/393582908.db2.gz MSZBEGNWJNPXOT-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000360986706 393629829 /nfs/dbraw/zinc/62/98/29/393629829.db2.gz LMXCAZHQETUNNQ-GFCCVEGCSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030642 393649956 /nfs/dbraw/zinc/64/99/56/393649956.db2.gz KJYSYGBOZFNPHT-NHYWBVRUSA-N 2 2 280.362 3.197 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030642 393649961 /nfs/dbraw/zinc/64/99/61/393649961.db2.gz KJYSYGBOZFNPHT-NHYWBVRUSA-N 2 2 280.362 3.197 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000423238303 393656170 /nfs/dbraw/zinc/65/61/70/393656170.db2.gz JBLFSHCZULIENT-BQGCOEIASA-N 2 2 260.425 3.444 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423279277 393659496 /nfs/dbraw/zinc/65/94/96/393659496.db2.gz RBWGENHZATUYFP-OLZOCXBDSA-N 2 2 285.218 3.308 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423297547 393660252 /nfs/dbraw/zinc/66/02/52/393660252.db2.gz KTLLIAASPFBEMP-CMPLNLGQSA-N 2 2 256.340 3.133 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423298284 393660408 /nfs/dbraw/zinc/66/04/08/393660408.db2.gz NXFAJPOOISVBNA-UKRRQHHQSA-N 2 2 280.387 3.147 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423353660 393662073 /nfs/dbraw/zinc/66/20/73/393662073.db2.gz BWBULOFLRMCKRF-DQYPLSBCSA-N 2 2 283.419 3.133 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069647 393665019 /nfs/dbraw/zinc/66/50/19/393665019.db2.gz RQWPZMXWROWBGY-MAUKXSAKSA-N 2 2 288.435 3.363 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069647 393665022 /nfs/dbraw/zinc/66/50/22/393665022.db2.gz RQWPZMXWROWBGY-MAUKXSAKSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423445015 393667762 /nfs/dbraw/zinc/66/77/62/393667762.db2.gz YDWSLDKCLVKEJD-CVEARBPZSA-N 2 2 296.842 3.149 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000423503657 393671760 /nfs/dbraw/zinc/67/17/60/393671760.db2.gz GAKRVZUFCUOINJ-XPTSAGLGSA-N 2 2 286.341 3.272 20 0 CGADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445451030 393795613 /nfs/dbraw/zinc/79/56/13/393795613.db2.gz ZQUCOEGYOFZYNC-HUUCEWRRSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445451030 393795618 /nfs/dbraw/zinc/79/56/18/393795618.db2.gz ZQUCOEGYOFZYNC-HUUCEWRRSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950655 393865348 /nfs/dbraw/zinc/86/53/48/393865348.db2.gz UHFYYKQRLMVOMJ-SWLSCSKDSA-N 2 2 278.827 3.270 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000501950655 393865352 /nfs/dbraw/zinc/86/53/52/393865352.db2.gz UHFYYKQRLMVOMJ-SWLSCSKDSA-N 2 2 278.827 3.270 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000449129526 393875680 /nfs/dbraw/zinc/87/56/80/393875680.db2.gz VKXYBBDXVWHNAQ-HOCLYGCPSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000449129526 393875686 /nfs/dbraw/zinc/87/56/86/393875686.db2.gz VKXYBBDXVWHNAQ-HOCLYGCPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)C[N@@H+]1C1CC1 ZINC000449348129 393878745 /nfs/dbraw/zinc/87/87/45/393878745.db2.gz FKWYKINDYWEQRT-VBHSOAQHSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)C[N@H+]1C1CC1 ZINC000449348129 393878747 /nfs/dbraw/zinc/87/87/47/393878747.db2.gz FKWYKINDYWEQRT-VBHSOAQHSA-N 2 2 288.410 3.418 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449545684 393894685 /nfs/dbraw/zinc/89/46/85/393894685.db2.gz ZHBFLDBNONYXND-MOPGFXCFSA-N 2 2 293.414 3.493 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449545684 393894691 /nfs/dbraw/zinc/89/46/91/393894691.db2.gz ZHBFLDBNONYXND-MOPGFXCFSA-N 2 2 293.414 3.493 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557420 393901513 /nfs/dbraw/zinc/90/15/13/393901513.db2.gz RBTBNCMDRCVEEC-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000666998280 542834698 /nfs/dbraw/zinc/83/46/98/542834698.db2.gz LKLXWNDYWIWKJT-GFCCVEGCSA-N 2 2 293.480 3.205 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000453122911 394179693 /nfs/dbraw/zinc/17/96/93/394179693.db2.gz GSHHWSUWHVGJMA-BFYDXBDKSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000453122911 394179694 /nfs/dbraw/zinc/17/96/94/394179694.db2.gz GSHHWSUWHVGJMA-BFYDXBDKSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453064839 394158090 /nfs/dbraw/zinc/15/80/90/394158090.db2.gz UOQRXDVMKCVDIX-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453064839 394158094 /nfs/dbraw/zinc/15/80/94/394158094.db2.gz UOQRXDVMKCVDIX-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453144189 394186383 /nfs/dbraw/zinc/18/63/83/394186383.db2.gz QEUAMHZROSFMGK-DQYPLSBCSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453144189 394186385 /nfs/dbraw/zinc/18/63/85/394186385.db2.gz QEUAMHZROSFMGK-DQYPLSBCSA-N 2 2 262.441 3.028 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503285 542880812 /nfs/dbraw/zinc/88/08/12/542880812.db2.gz HGXNOERRBJWFJU-INIZCTEOSA-N 2 2 285.366 3.306 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667503285 542880816 /nfs/dbraw/zinc/88/08/16/542880816.db2.gz HGXNOERRBJWFJU-INIZCTEOSA-N 2 2 285.366 3.306 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(OC3CCCCC3)CC2)n1C ZINC000667567240 542891229 /nfs/dbraw/zinc/89/12/29/542891229.db2.gz SWRHKLWRZOSLRX-UHFFFAOYSA-N 2 2 291.439 3.042 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)n1C ZINC000667648078 542904012 /nfs/dbraw/zinc/90/40/12/542904012.db2.gz LFKOUXZWJGBBNV-BBRMVZONSA-N 2 2 269.392 3.107 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)n1C ZINC000667648078 542904013 /nfs/dbraw/zinc/90/40/13/542904013.db2.gz LFKOUXZWJGBBNV-BBRMVZONSA-N 2 2 269.392 3.107 20 0 CGADLP CC(C)(C)C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668229083 542994416 /nfs/dbraw/zinc/99/44/16/542994416.db2.gz YJHUEBJIVBTVGZ-ZDUSSCGKSA-N 2 2 261.413 3.087 20 0 CGADLP CC(C)(C)C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668229083 542994420 /nfs/dbraw/zinc/99/44/20/542994420.db2.gz YJHUEBJIVBTVGZ-ZDUSSCGKSA-N 2 2 261.413 3.087 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000668432147 543012305 /nfs/dbraw/zinc/01/23/05/543012305.db2.gz MYUIJYGFVFGKAM-MJBXVCDLSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000668432147 543012308 /nfs/dbraw/zinc/01/23/08/543012308.db2.gz MYUIJYGFVFGKAM-MJBXVCDLSA-N 2 2 284.513 3.369 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000668712180 543048929 /nfs/dbraw/zinc/04/89/29/543048929.db2.gz ZUBXWKAZBAZABE-KRWDZBQOSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c[nH+]1 ZINC000668744480 543054334 /nfs/dbraw/zinc/05/43/34/543054334.db2.gz PESNFQBNGKGTEH-CEXWTWQISA-N 2 2 296.389 3.390 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000670154576 543141930 /nfs/dbraw/zinc/14/19/30/543141930.db2.gz WPYPCIXSPIWERC-DLBZAZTESA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000670154576 543141933 /nfs/dbraw/zinc/14/19/33/543141933.db2.gz WPYPCIXSPIWERC-DLBZAZTESA-N 2 2 264.457 3.275 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc3cnccc31)CCCC2 ZINC000671195012 543162598 /nfs/dbraw/zinc/16/25/98/543162598.db2.gz YIIYAKNQNPHWLY-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671754075 543186778 /nfs/dbraw/zinc/18/67/78/543186778.db2.gz QGOSTKITELUFGM-GFCCVEGCSA-N 2 2 297.358 3.130 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000481555809 292110237 /nfs/dbraw/zinc/11/02/37/292110237.db2.gz GIRIVICXRBTCBR-ROUUACIJSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000481555809 292110239 /nfs/dbraw/zinc/11/02/39/292110239.db2.gz GIRIVICXRBTCBR-ROUUACIJSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916455 397609721 /nfs/dbraw/zinc/60/97/21/397609721.db2.gz BEJFIPBUTNDQGX-IGCXYCKISA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916455 397609725 /nfs/dbraw/zinc/60/97/25/397609725.db2.gz BEJFIPBUTNDQGX-IGCXYCKISA-N 2 2 294.389 3.490 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684731 397619703 /nfs/dbraw/zinc/61/97/03/397619703.db2.gz IZUNILLLCQWFGV-WBVHZDCISA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C)cc1 ZINC000044684731 397619705 /nfs/dbraw/zinc/61/97/05/397619705.db2.gz IZUNILLLCQWFGV-WBVHZDCISA-N 2 2 258.409 3.272 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)c1 ZINC000419739786 397700406 /nfs/dbraw/zinc/70/04/06/397700406.db2.gz AXOZOHYIQNUDLU-NSHDSACASA-N 2 2 272.795 3.075 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCC1 ZINC000366790384 292124056 /nfs/dbraw/zinc/12/40/56/292124056.db2.gz AHLNOYFIHPWQSD-HIFRSBDPSA-N 2 2 291.439 3.006 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322297 543281167 /nfs/dbraw/zinc/28/11/67/543281167.db2.gz MMIBIBRGHAMXFG-KRWDZBQOSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322297 543281168 /nfs/dbraw/zinc/28/11/68/543281168.db2.gz MMIBIBRGHAMXFG-KRWDZBQOSA-N 2 2 299.418 3.298 20 0 CGADLP COC1(C[C@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CCC1 ZINC000446853093 292125406 /nfs/dbraw/zinc/12/54/06/292125406.db2.gz OBTSKKNLBFWKRU-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP COC1(C[C@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)CCC1 ZINC000446853093 292125407 /nfs/dbraw/zinc/12/54/07/292125407.db2.gz OBTSKKNLBFWKRU-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000675548272 543346188 /nfs/dbraw/zinc/34/61/88/543346188.db2.gz KFMSWCVNNGZIBE-NEPJUHHUSA-N 2 2 276.428 3.077 20 0 CGADLP Cc1nc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000675548272 543346190 /nfs/dbraw/zinc/34/61/90/543346190.db2.gz KFMSWCVNNGZIBE-NEPJUHHUSA-N 2 2 276.428 3.077 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000675765347 543361663 /nfs/dbraw/zinc/36/16/63/543361663.db2.gz DCACVEMWWJXLSG-DZGCQCFKSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000675765347 543361666 /nfs/dbraw/zinc/36/16/66/543361666.db2.gz DCACVEMWWJXLSG-DZGCQCFKSA-N 2 2 264.388 3.187 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000675766849 543362279 /nfs/dbraw/zinc/36/22/79/543362279.db2.gz PUQDNEJDQBFPAW-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000675766849 543362280 /nfs/dbraw/zinc/36/22/80/543362280.db2.gz PUQDNEJDQBFPAW-NHYWBVRUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766924 543362427 /nfs/dbraw/zinc/36/24/27/543362427.db2.gz QUUDHPDUPIMHCA-GOEBONIOSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766924 543362443 /nfs/dbraw/zinc/36/24/43/543362443.db2.gz QUUDHPDUPIMHCA-GOEBONIOSA-N 2 2 286.419 3.117 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768457 543362904 /nfs/dbraw/zinc/36/29/04/543362904.db2.gz YDLPNXQPNAGJRK-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768457 543362906 /nfs/dbraw/zinc/36/29/06/543362906.db2.gz YDLPNXQPNAGJRK-IRXDYDNUSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802060 543366425 /nfs/dbraw/zinc/36/64/25/543366425.db2.gz HRANLSLQRUBFKK-MAUKXSAKSA-N 2 2 296.414 3.317 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802060 543366426 /nfs/dbraw/zinc/36/64/26/543366426.db2.gz HRANLSLQRUBFKK-MAUKXSAKSA-N 2 2 296.414 3.317 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675735830 543359431 /nfs/dbraw/zinc/35/94/31/543359431.db2.gz YMSQFVWSUMVJFF-DZKIICNBSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675735830 543359434 /nfs/dbraw/zinc/35/94/34/543359434.db2.gz YMSQFVWSUMVJFF-DZKIICNBSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000675766019 543361345 /nfs/dbraw/zinc/36/13/45/543361345.db2.gz GJWNYHHMCAAYAC-QWHCGFSZSA-N 2 2 298.377 3.341 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675834713 543368720 /nfs/dbraw/zinc/36/87/20/543368720.db2.gz YPFYLESXCFTHNV-RDTXWAMCSA-N 2 2 272.436 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675834713 543368722 /nfs/dbraw/zinc/36/87/22/543368722.db2.gz YPFYLESXCFTHNV-RDTXWAMCSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000675883506 543370265 /nfs/dbraw/zinc/37/02/65/543370265.db2.gz DMMMGLAOBYQWNL-HNNXBMFYSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905913 543372445 /nfs/dbraw/zinc/37/24/45/543372445.db2.gz GOMGOEYLMYCLHL-BFJAYTPKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905913 543372446 /nfs/dbraw/zinc/37/24/46/543372446.db2.gz GOMGOEYLMYCLHL-BFJAYTPKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675923931 543374220 /nfs/dbraw/zinc/37/42/20/543374220.db2.gz VOUFGUJYNOJTNA-HYVNUMGLSA-N 2 2 283.419 3.482 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712535 543411802 /nfs/dbraw/zinc/41/18/02/543411802.db2.gz NABHFNRIVMNURY-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712535 543411804 /nfs/dbraw/zinc/41/18/04/543411804.db2.gz NABHFNRIVMNURY-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712535 543411806 /nfs/dbraw/zinc/41/18/06/543411806.db2.gz NABHFNRIVMNURY-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712535 543411807 /nfs/dbraw/zinc/41/18/07/543411807.db2.gz NABHFNRIVMNURY-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129305 543434013 /nfs/dbraw/zinc/43/40/13/543434013.db2.gz JLSBSEAXFTXALF-WBMJQRKESA-N 2 2 280.362 3.026 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129305 543434016 /nfs/dbraw/zinc/43/40/16/543434016.db2.gz JLSBSEAXFTXALF-WBMJQRKESA-N 2 2 280.362 3.026 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806923 543466748 /nfs/dbraw/zinc/46/67/48/543466748.db2.gz UPAMWBGHLXCKBE-KRWDZBQOSA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000677806923 543466750 /nfs/dbraw/zinc/46/67/50/543466750.db2.gz UPAMWBGHLXCKBE-KRWDZBQOSA-N 2 2 270.420 3.348 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC000678234498 543498846 /nfs/dbraw/zinc/49/88/46/543498846.db2.gz GMRCVCLCDYHRMS-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC000678234498 543498847 /nfs/dbraw/zinc/49/88/47/543498847.db2.gz GMRCVCLCDYHRMS-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP CC[N@H+](CCC1CC[NH+](CC(F)F)CC1)CC(C)C ZINC000678634254 543547605 /nfs/dbraw/zinc/54/76/05/543547605.db2.gz DXASVDKVPHPDLP-UHFFFAOYSA-N 2 2 276.415 3.332 20 0 CGADLP CC[N@@H+](CCC1CC[NH+](CC(F)F)CC1)CC(C)C ZINC000678634254 543547608 /nfs/dbraw/zinc/54/76/08/543547608.db2.gz DXASVDKVPHPDLP-UHFFFAOYSA-N 2 2 276.415 3.332 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)ccc1SC ZINC000423561056 286245358 /nfs/dbraw/zinc/24/53/58/286245358.db2.gz POPDETOYSTYOLX-OCCSQVGLSA-N 2 2 294.464 3.210 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000227286618 286285222 /nfs/dbraw/zinc/28/52/22/286285222.db2.gz UXLFZWCEKREFIX-BRWVUGGUSA-N 2 2 290.451 3.083 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000071120359 286992221 /nfs/dbraw/zinc/99/22/21/286992221.db2.gz PRPUOJACFVMABH-HOTGVXAUSA-N 2 2 252.446 3.421 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000423281262 287029035 /nfs/dbraw/zinc/02/90/35/287029035.db2.gz UAXDHBPZLNSMQH-CQSZACIVSA-N 2 2 261.413 3.045 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422918056 287052000 /nfs/dbraw/zinc/05/20/00/287052000.db2.gz HGRNQGPQAMBRRW-MISXGVKJSA-N 2 2 286.341 3.497 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081638116 287075677 /nfs/dbraw/zinc/07/56/77/287075677.db2.gz SJFMIXZIHLWQDT-HZPDHXFCSA-N 2 2 261.413 3.222 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000070345332 165058977 /nfs/dbraw/zinc/05/89/77/165058977.db2.gz MHHNQCHDFRIAGW-SQNIBIBYSA-N 2 2 290.451 3.083 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000086507797 165184079 /nfs/dbraw/zinc/18/40/79/165184079.db2.gz KSCRBOIENQILRW-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000086507797 165184083 /nfs/dbraw/zinc/18/40/83/165184083.db2.gz KSCRBOIENQILRW-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@@H](CSC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000091098313 165258547 /nfs/dbraw/zinc/25/85/47/165258547.db2.gz DDBQCCACBAHIFJ-HNNXBMFYSA-N 2 2 289.448 3.446 20 0 CGADLP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000091098313 165258549 /nfs/dbraw/zinc/25/85/49/165258549.db2.gz DDBQCCACBAHIFJ-HNNXBMFYSA-N 2 2 289.448 3.446 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000092587776 165302848 /nfs/dbraw/zinc/30/28/48/165302848.db2.gz QNBTXGBDUORAQF-MRXNPFEDSA-N 2 2 276.424 3.224 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000092587776 165302851 /nfs/dbraw/zinc/30/28/51/165302851.db2.gz QNBTXGBDUORAQF-MRXNPFEDSA-N 2 2 276.424 3.224 20 0 CGADLP Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000092648594 165305715 /nfs/dbraw/zinc/30/57/15/165305715.db2.gz LQZWUUALWKOSMS-UHFFFAOYSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000094341476 165351081 /nfs/dbraw/zinc/35/10/81/165351081.db2.gz DDHIWPNBGVGLFS-MFKMUULPSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1[NH3+] ZINC000094341476 165351085 /nfs/dbraw/zinc/35/10/85/165351085.db2.gz DDHIWPNBGVGLFS-MFKMUULPSA-N 2 2 293.461 3.041 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000094896137 165395712 /nfs/dbraw/zinc/39/57/12/165395712.db2.gz QUPVTINCITUIHE-OAHLLOKOSA-N 2 2 271.408 3.260 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000094970070 165399069 /nfs/dbraw/zinc/39/90/69/165399069.db2.gz VNWABIQICIDYHB-GFCCVEGCSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000094970070 165399072 /nfs/dbraw/zinc/39/90/72/165399072.db2.gz VNWABIQICIDYHB-GFCCVEGCSA-N 2 2 281.469 3.144 20 0 CGADLP CC[N@H+](C)CC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000118953329 287162668 /nfs/dbraw/zinc/16/26/68/287162668.db2.gz RBZLDLWQPOIZNX-ACCUITESSA-N 2 2 266.816 3.285 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000118953329 287162670 /nfs/dbraw/zinc/16/26/70/287162670.db2.gz RBZLDLWQPOIZNX-ACCUITESSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000124504561 287234173 /nfs/dbraw/zinc/23/41/73/287234173.db2.gz KBZFQKUWCSJLIL-UWVGGRQHSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000124504561 287234175 /nfs/dbraw/zinc/23/41/75/287234175.db2.gz KBZFQKUWCSJLIL-UWVGGRQHSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000020126806 171010832 /nfs/dbraw/zinc/01/08/32/171010832.db2.gz VOEXACDQLRHIRB-LBPRGKRZSA-N 2 2 297.240 3.196 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000020135966 171023237 /nfs/dbraw/zinc/02/32/37/171023237.db2.gz LXUAMGWSOSBPPT-UHFFFAOYSA-N 2 2 289.448 3.259 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccccc1C ZINC000020186593 171050976 /nfs/dbraw/zinc/05/09/76/171050976.db2.gz MLUONGVFKPFQGO-UHFFFAOYSA-N 2 2 279.387 3.443 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccsc1 ZINC000020186645 171051094 /nfs/dbraw/zinc/05/10/94/171051094.db2.gz ZPHZNPXPKOWNFM-UHFFFAOYSA-N 2 2 271.389 3.196 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020208945 171073336 /nfs/dbraw/zinc/07/33/36/171073336.db2.gz SGMMNKUYJZDFRQ-ZQIUZPCESA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000020506114 171228523 /nfs/dbraw/zinc/22/85/23/171228523.db2.gz JUUZBQOSXDVJGT-LLVKDONJSA-N 2 2 281.762 3.417 20 0 CGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([NH3+])CC1 ZINC000020521668 171235015 /nfs/dbraw/zinc/23/50/15/171235015.db2.gz LFUGUQCCWQTWQN-CQSZACIVSA-N 2 2 297.240 3.323 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407809 196274458 /nfs/dbraw/zinc/27/44/58/196274458.db2.gz FPSVRSJVJVQXJU-BBRMVZONSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000285407809 196274460 /nfs/dbraw/zinc/27/44/60/196274460.db2.gz FPSVRSJVJVQXJU-BBRMVZONSA-N 2 2 283.419 3.191 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000037249375 173061897 /nfs/dbraw/zinc/06/18/97/173061897.db2.gz QAVFKBQTFUUAEW-NSHDSACASA-N 2 2 281.762 3.417 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326189 175007807 /nfs/dbraw/zinc/00/78/07/175007807.db2.gz NZIAHGQEHIZXKB-CABCVRRESA-N 2 2 266.816 3.379 20 0 CGADLP C[C@H](CC[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000043533328 175062454 /nfs/dbraw/zinc/06/24/54/175062454.db2.gz FFQWKEDMOOYBDU-OAHLLOKOSA-N 2 2 257.381 3.057 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000044529970 175194954 /nfs/dbraw/zinc/19/49/54/175194954.db2.gz QGCQCLMLOWGGKG-LLVKDONJSA-N 2 2 293.461 3.042 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000044529970 175194956 /nfs/dbraw/zinc/19/49/56/175194956.db2.gz QGCQCLMLOWGGKG-LLVKDONJSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@@H+]1C1CC1 ZINC000128874642 287320228 /nfs/dbraw/zinc/32/02/28/287320228.db2.gz FOBLLZSWFPNYEU-YWPUVAFDSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@H+]1C1CC1 ZINC000128874642 287320229 /nfs/dbraw/zinc/32/02/29/287320229.db2.gz FOBLLZSWFPNYEU-YWPUVAFDSA-N 2 2 290.373 3.322 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000049938042 416476772 /nfs/dbraw/zinc/47/67/72/416476772.db2.gz IWROVNCKAMGUJM-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)no1 ZINC000048563875 416454641 /nfs/dbraw/zinc/45/46/41/416454641.db2.gz ZROFBEWEGZPKIE-UHFFFAOYSA-N 2 2 291.439 3.071 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+]C[C@@H]2CC=CCC2)[nH+]1 ZINC000128565941 416513257 /nfs/dbraw/zinc/51/32/57/416513257.db2.gz VPTCDAPUSUBGTO-QGZVFWFLSA-N 2 2 295.430 3.420 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1F ZINC000679220802 543601068 /nfs/dbraw/zinc/60/10/68/543601068.db2.gz JQRKVPHOOWWSIR-CJNGLKHVSA-N 2 2 273.355 3.052 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1F ZINC000679220802 543601070 /nfs/dbraw/zinc/60/10/70/543601070.db2.gz JQRKVPHOOWWSIR-CJNGLKHVSA-N 2 2 273.355 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000680066186 543683214 /nfs/dbraw/zinc/68/32/14/543683214.db2.gz MLFMGMXMTOGOER-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000680066186 543683215 /nfs/dbraw/zinc/68/32/15/543683215.db2.gz MLFMGMXMTOGOER-GOSISDBHSA-N 2 2 274.452 3.390 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCCc3ccsc3)C2)c[nH+]1 ZINC000679924995 543667702 /nfs/dbraw/zinc/66/77/02/543667702.db2.gz OSZBBXXGOURTCX-HNNXBMFYSA-N 2 2 275.421 3.214 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCCc3ccsc3)C2)c[nH+]1 ZINC000679924995 543667707 /nfs/dbraw/zinc/66/77/07/543667707.db2.gz OSZBBXXGOURTCX-HNNXBMFYSA-N 2 2 275.421 3.214 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cccc4cnccc43)CC2)[nH+]1 ZINC000679989597 543672447 /nfs/dbraw/zinc/67/24/47/543672447.db2.gz YQBWDSFMOLIYFB-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461017 543712103 /nfs/dbraw/zinc/71/21/03/543712103.db2.gz DOZJDGAXRLQABR-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461017 543712105 /nfs/dbraw/zinc/71/21/05/543712105.db2.gz DOZJDGAXRLQABR-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000681137469 543769693 /nfs/dbraw/zinc/76/96/93/543769693.db2.gz OZGBJURJMNDWGJ-WBVHZDCISA-N 2 2 272.436 3.365 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000681137469 543769697 /nfs/dbraw/zinc/76/96/97/543769697.db2.gz OZGBJURJMNDWGJ-WBVHZDCISA-N 2 2 272.436 3.365 20 0 CGADLP Cc1ccc(CCNc2cc[nH+]c3c(O)cccc23)c[nH+]1 ZINC000682240127 543836309 /nfs/dbraw/zinc/83/63/09/543836309.db2.gz ZRCKTYGYIFYHQH-UHFFFAOYSA-N 2 2 279.343 3.298 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(O)cc1)[NH+](C)C ZINC000682409570 543842986 /nfs/dbraw/zinc/84/29/86/543842986.db2.gz QNBDJTQRQASRIR-DNVCBOLYSA-N 2 2 298.430 3.482 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683519339 543919563 /nfs/dbraw/zinc/91/95/63/543919563.db2.gz SIJICENKSVVRIW-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683519339 543919565 /nfs/dbraw/zinc/91/95/65/543919565.db2.gz SIJICENKSVVRIW-SFHVURJKSA-N 2 2 283.419 3.325 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000683895383 543950604 /nfs/dbraw/zinc/95/06/04/543950604.db2.gz QYWWJZWXLNVLDS-OAHLLOKOSA-N 2 2 298.434 3.416 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000684383167 543990063 /nfs/dbraw/zinc/99/00/63/543990063.db2.gz TTZPOJZUWFQSNX-UWWQBHOKSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](OC(F)F)C2)c[nH+]1 ZINC000684392987 543991799 /nfs/dbraw/zinc/99/17/99/543991799.db2.gz CRGGSDUMQKITQD-AWEZNQCLSA-N 2 2 284.350 3.026 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](OC(F)F)C2)c[nH+]1 ZINC000684392987 543991802 /nfs/dbraw/zinc/99/18/02/543991802.db2.gz CRGGSDUMQKITQD-AWEZNQCLSA-N 2 2 284.350 3.026 20 0 CGADLP CC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000685459620 544072945 /nfs/dbraw/zinc/07/29/45/544072945.db2.gz RJBIWHCLXFWVSQ-UHFFFAOYSA-N 2 2 261.413 3.175 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940424 /nfs/dbraw/zinc/94/04/24/418940424.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940430 /nfs/dbraw/zinc/94/04/30/418940430.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940431 /nfs/dbraw/zinc/94/04/31/418940431.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237353 418940435 /nfs/dbraw/zinc/94/04/35/418940435.db2.gz NCTSZHPGSSAYFC-SJORKVTESA-N 3 2 295.515 3.103 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241764 419088554 /nfs/dbraw/zinc/08/85/54/419088554.db2.gz YLMWDFHQVPIHJM-KCXAZCMYSA-N 2 2 264.388 3.253 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ncc(-c2ccccc2)n1C ZINC000665246661 419090138 /nfs/dbraw/zinc/09/01/38/419090138.db2.gz KUKLLVLVGQAXKX-AWEZNQCLSA-N 2 2 298.434 3.009 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244218 419091150 /nfs/dbraw/zinc/09/11/50/419091150.db2.gz JCHFISSZZUOCFI-CABCVRRESA-N 2 2 292.398 3.117 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665277370 419099912 /nfs/dbraw/zinc/09/99/12/419099912.db2.gz ZSLPQZAZBQZSSB-IQYSWEBNSA-N 2 2 294.851 3.219 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1Cl ZINC000665277033 419100124 /nfs/dbraw/zinc/10/01/24/419100124.db2.gz RKYXKQHGIXKCEU-IPWFMCSPSA-N 2 2 285.218 3.396 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000665277189 419100286 /nfs/dbraw/zinc/10/02/86/419100286.db2.gz WHPCRSSRKCQJHE-OFWKBQFLSA-N 2 2 296.361 3.081 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665279077 419101137 /nfs/dbraw/zinc/10/11/37/419101137.db2.gz WIOYHKBZOVBVGI-GULBITTBSA-N 2 2 288.460 3.182 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000665294026 419106822 /nfs/dbraw/zinc/10/68/22/419106822.db2.gz HAILCGRNTHRFNO-OLZOCXBDSA-N 2 2 272.392 3.107 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000665296251 419109098 /nfs/dbraw/zinc/10/90/98/419109098.db2.gz PJBOMXHVTKAKSW-FZMZJTMJSA-N 2 2 252.427 3.177 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000665298404 419110769 /nfs/dbraw/zinc/11/07/69/419110769.db2.gz VQKCBWLNSZRMMK-HZMBPMFUSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000665296662 419110813 /nfs/dbraw/zinc/11/08/13/419110813.db2.gz WCAPZHVVBUQNMZ-OLZOCXBDSA-N 2 2 260.381 3.308 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000665296697 419110955 /nfs/dbraw/zinc/11/09/55/419110955.db2.gz WTFFKIPSGCLNTG-KGLIPLIRSA-N 2 2 269.392 3.007 20 0 CGADLP C1CC[N@@H+]2CCC[C@H]([NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000655847886 419118247 /nfs/dbraw/zinc/11/82/47/419118247.db2.gz DZUPNHOKVJJCCO-HOTGVXAUSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC[N@H+]2CCC[C@H]([NH2+]C3CCCCCC3)[C@@H]2C1 ZINC000655847886 419118250 /nfs/dbraw/zinc/11/82/50/419118250.db2.gz DZUPNHOKVJJCCO-HOTGVXAUSA-N 2 2 250.430 3.316 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848365 419119291 /nfs/dbraw/zinc/11/92/91/419119291.db2.gz IDIFACRSZAYOON-OKZBNKHCSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848365 419119295 /nfs/dbraw/zinc/11/92/95/419119295.db2.gz IDIFACRSZAYOON-OKZBNKHCSA-N 2 2 270.420 3.280 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655850841 419120506 /nfs/dbraw/zinc/12/05/06/419120506.db2.gz ZGVAPNSHSNUCQC-JCGIZDLHSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655850841 419120510 /nfs/dbraw/zinc/12/05/10/419120510.db2.gz ZGVAPNSHSNUCQC-JCGIZDLHSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849505 419121127 /nfs/dbraw/zinc/12/11/27/419121127.db2.gz WEQGXJMIQYJEDB-UAGQMJEPSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849505 419121131 /nfs/dbraw/zinc/12/11/31/419121131.db2.gz WEQGXJMIQYJEDB-UAGQMJEPSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000653591561 419056388 /nfs/dbraw/zinc/05/63/88/419056388.db2.gz OBFAOSMETQMDDI-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000653591561 419056392 /nfs/dbraw/zinc/05/63/92/419056392.db2.gz OBFAOSMETQMDDI-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655708894 419073138 /nfs/dbraw/zinc/07/31/38/419073138.db2.gz OXUFMSBQLFXEBR-NJAFHUGGSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000660110314 419078034 /nfs/dbraw/zinc/07/80/34/419078034.db2.gz AKNUIWITQDRESI-HPBDAGMYSA-N 2 2 281.403 3.322 20 0 CGADLP C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000660110314 419078036 /nfs/dbraw/zinc/07/80/36/419078036.db2.gz AKNUIWITQDRESI-HPBDAGMYSA-N 2 2 281.403 3.322 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000655941427 419129144 /nfs/dbraw/zinc/12/91/44/419129144.db2.gz TZAILXVHZWSTNB-NVXWUHKLSA-N 2 2 288.435 3.002 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000655941427 419129147 /nfs/dbraw/zinc/12/91/47/419129147.db2.gz TZAILXVHZWSTNB-NVXWUHKLSA-N 2 2 288.435 3.002 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000655941429 419129421 /nfs/dbraw/zinc/12/94/21/419129421.db2.gz TZAILXVHZWSTNB-WBVHZDCISA-N 2 2 288.435 3.002 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000655941429 419129425 /nfs/dbraw/zinc/12/94/25/419129425.db2.gz TZAILXVHZWSTNB-WBVHZDCISA-N 2 2 288.435 3.002 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660583620 419166201 /nfs/dbraw/zinc/16/62/01/419166201.db2.gz LJFCBDIUZAHOFI-UHFFFAOYSA-N 2 2 293.823 3.144 20 0 CGADLP Clc1cccc(SCC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660583620 419166202 /nfs/dbraw/zinc/16/62/02/419166202.db2.gz LJFCBDIUZAHOFI-UHFFFAOYSA-N 2 2 293.823 3.144 20 0 CGADLP CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000656458466 419173063 /nfs/dbraw/zinc/17/30/63/419173063.db2.gz CZHDFFHYHFLLQI-GOSISDBHSA-N 2 2 283.419 3.218 20 0 CGADLP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000656458466 419173066 /nfs/dbraw/zinc/17/30/66/419173066.db2.gz CZHDFFHYHFLLQI-GOSISDBHSA-N 2 2 283.419 3.218 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(Cl)c1)C2 ZINC000660653991 419176924 /nfs/dbraw/zinc/17/69/24/419176924.db2.gz XEXMBEGAXCSBLQ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(Cl)c1)C2 ZINC000660653991 419176927 /nfs/dbraw/zinc/17/69/27/419176927.db2.gz XEXMBEGAXCSBLQ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000660653991 419176931 /nfs/dbraw/zinc/17/69/31/419176931.db2.gz XEXMBEGAXCSBLQ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000660653991 419176936 /nfs/dbraw/zinc/17/69/36/419176936.db2.gz XEXMBEGAXCSBLQ-INIZCTEOSA-N 2 2 278.827 3.258 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000657326373 419251071 /nfs/dbraw/zinc/25/10/71/419251071.db2.gz MJLHDEHTCZYQLE-NVXWUHKLSA-N 2 2 292.471 3.064 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1COC(C)(C)C1)[NH+](C)C ZINC000418027546 227942265 /nfs/dbraw/zinc/94/22/65/227942265.db2.gz PIAKAGDKNRWPRL-VYDXJSESSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2c1C ZINC000657331120 419251639 /nfs/dbraw/zinc/25/16/39/419251639.db2.gz OXXWSYYUBABMPY-UHFFFAOYSA-N 2 2 294.402 3.217 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000657354648 419258293 /nfs/dbraw/zinc/25/82/93/419258293.db2.gz UHRCJJSREQYZBN-UHFFFAOYSA-N 2 2 287.382 3.036 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360275 419259588 /nfs/dbraw/zinc/25/95/88/419259588.db2.gz AQVDQLCLWCLBCJ-FVQBIDKESA-N 2 2 275.440 3.380 20 0 CGADLP Clc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000657369515 419262066 /nfs/dbraw/zinc/26/20/66/419262066.db2.gz IDSXVRMTMRVXRD-UHFFFAOYSA-N 2 2 287.794 3.262 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000661486455 419263858 /nfs/dbraw/zinc/26/38/58/419263858.db2.gz VQWAXBZTJKOTGD-MRXNPFEDSA-N 2 2 275.371 3.399 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666227324 419200326 /nfs/dbraw/zinc/20/03/26/419200326.db2.gz FCKWQWBAPPOXFG-UGQVUOCMSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666227324 419200331 /nfs/dbraw/zinc/20/03/31/419200331.db2.gz FCKWQWBAPPOXFG-UGQVUOCMSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228162 419200792 /nfs/dbraw/zinc/20/07/92/419200792.db2.gz NOCKRUSVGJTFJF-NUEKZKHPSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228162 419200794 /nfs/dbraw/zinc/20/07/94/419200794.db2.gz NOCKRUSVGJTFJF-NUEKZKHPSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]CCCNc3cccc[nH+]3)cc21 ZINC000657391074 419268381 /nfs/dbraw/zinc/26/83/81/419268381.db2.gz NROPPSMURRVJIR-UHFFFAOYSA-N 2 2 294.402 3.463 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc21 ZINC000657390430 419268652 /nfs/dbraw/zinc/26/86/52/419268652.db2.gz XVHNIJZTJOAOST-DZGCQCFKSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc21 ZINC000657390430 419268656 /nfs/dbraw/zinc/26/86/56/419268656.db2.gz XVHNIJZTJOAOST-DZGCQCFKSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438372 419279114 /nfs/dbraw/zinc/27/91/14/419279114.db2.gz PNIJEVGNKUYEFH-UHFFFAOYSA-N 2 2 281.359 3.174 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000657439948 419279315 /nfs/dbraw/zinc/27/93/15/419279315.db2.gz IQWYIXLWHSGZAB-ILXRZTDVSA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000661762258 419296762 /nfs/dbraw/zinc/29/67/62/419296762.db2.gz NVYVFGBBTJLHIM-KRWDZBQOSA-N 2 2 269.392 3.459 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)n1C ZINC000657523968 419296922 /nfs/dbraw/zinc/29/69/22/419296922.db2.gz MSBIQHIAYYMNNB-UHFFFAOYSA-N 2 2 284.190 3.325 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525327 419297583 /nfs/dbraw/zinc/29/75/83/419297583.db2.gz RUXWFUIOSJBJME-DZFYGRHCSA-N 2 2 288.435 3.171 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525327 419297585 /nfs/dbraw/zinc/29/75/85/419297585.db2.gz RUXWFUIOSJBJME-DZFYGRHCSA-N 2 2 288.435 3.171 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657653118 419319335 /nfs/dbraw/zinc/31/93/35/419319335.db2.gz IBYCAWYEMHEIEI-MAUKXSAKSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657653118 419319337 /nfs/dbraw/zinc/31/93/37/419319337.db2.gz IBYCAWYEMHEIEI-MAUKXSAKSA-N 2 2 284.403 3.247 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@]3(C)CC3(F)F)n2c1 ZINC000657671656 419325998 /nfs/dbraw/zinc/32/59/98/419325998.db2.gz WWDCCSMSCLJBAI-CQSZACIVSA-N 2 2 279.334 3.168 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)nc1 ZINC000657656763 419319962 /nfs/dbraw/zinc/31/99/62/419319962.db2.gz KUBQZEGSQTTWDF-GJYPPUQNSA-N 2 2 299.462 3.072 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)c[nH+]c12 ZINC000657657711 419320590 /nfs/dbraw/zinc/32/05/90/419320590.db2.gz SZXNMGYPNPHWML-YCPHGPKFSA-N 2 2 269.392 3.169 20 0 CGADLP FC1(F)CC12CCC([NH2+]Cc1cccc3[nH+]ccn31)CC2 ZINC000657718111 419332572 /nfs/dbraw/zinc/33/25/72/419332572.db2.gz ZOEWTCLUTRNBNZ-UHFFFAOYSA-N 2 2 291.345 3.392 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000657752183 419336603 /nfs/dbraw/zinc/33/66/03/419336603.db2.gz MUVOJVVDUTZHED-WBVHZDCISA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657760613 419337959 /nfs/dbraw/zinc/33/79/59/419337959.db2.gz MMQQERKQOCOARU-INIZCTEOSA-N 2 2 255.365 3.151 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000657843847 419383300 /nfs/dbraw/zinc/38/33/00/419383300.db2.gz KDPAMAGLDQUXOY-QLFBSQMISA-N 2 2 261.413 3.078 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C(C)(C)C(F)F ZINC000657900033 419423403 /nfs/dbraw/zinc/42/34/03/419423403.db2.gz GQZWRLPNCCWTIN-LLVKDONJSA-N 2 2 271.355 3.153 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060347 419532593 /nfs/dbraw/zinc/53/25/93/419532593.db2.gz YVXPIGJDJNZOSV-ZBFHGGJFSA-N 2 2 293.430 3.380 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060347 419532598 /nfs/dbraw/zinc/53/25/98/419532598.db2.gz YVXPIGJDJNZOSV-ZBFHGGJFSA-N 2 2 293.430 3.380 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658060406 419532842 /nfs/dbraw/zinc/53/28/42/419532842.db2.gz ZKEFIIOIGFDMMH-OLZOCXBDSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658060406 419532844 /nfs/dbraw/zinc/53/28/44/419532844.db2.gz ZKEFIIOIGFDMMH-OLZOCXBDSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658061955 419536196 /nfs/dbraw/zinc/53/61/96/419536196.db2.gz PYYRUXNALQJUKX-ZFWWWQNUSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658061955 419536203 /nfs/dbraw/zinc/53/62/03/419536203.db2.gz PYYRUXNALQJUKX-ZFWWWQNUSA-N 2 2 278.415 3.219 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658088628 419557141 /nfs/dbraw/zinc/55/71/41/419557141.db2.gz DWXMGIKTHYVIGC-SUNYJGFJSA-N 2 2 290.426 3.137 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658088628 419557153 /nfs/dbraw/zinc/55/71/53/419557153.db2.gz DWXMGIKTHYVIGC-SUNYJGFJSA-N 2 2 290.426 3.137 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000658093244 419570499 /nfs/dbraw/zinc/57/04/99/419570499.db2.gz UBLOAKXYLOUKEO-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000658093244 419570506 /nfs/dbraw/zinc/57/05/06/419570506.db2.gz UBLOAKXYLOUKEO-DOTOQJQBSA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000658097200 419577045 /nfs/dbraw/zinc/57/70/45/419577045.db2.gz VUUKOFBUFXWGKT-WXRRBKDZSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000658097200 419577051 /nfs/dbraw/zinc/57/70/51/419577051.db2.gz VUUKOFBUFXWGKT-WXRRBKDZSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000663387331 419587322 /nfs/dbraw/zinc/58/73/22/419587322.db2.gz YSAHJJKPVFRWOW-SNVBAGLBSA-N 2 2 284.285 3.106 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229222 419689108 /nfs/dbraw/zinc/68/91/08/419689108.db2.gz PNWJGGQMDAZRDA-WMZOPIPTSA-N 2 2 294.483 3.188 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229222 419689117 /nfs/dbraw/zinc/68/91/17/419689117.db2.gz PNWJGGQMDAZRDA-WMZOPIPTSA-N 2 2 294.483 3.188 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663925427 419761146 /nfs/dbraw/zinc/76/11/46/419761146.db2.gz XEWFASYIFXHXSJ-ZDUSSCGKSA-N 2 2 286.423 3.349 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663925427 419761153 /nfs/dbraw/zinc/76/11/53/419761153.db2.gz XEWFASYIFXHXSJ-ZDUSSCGKSA-N 2 2 286.423 3.349 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663925426 419762315 /nfs/dbraw/zinc/76/23/15/419762315.db2.gz XEWFASYIFXHXSJ-CYBMUJFWSA-N 2 2 286.423 3.349 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663925426 419762324 /nfs/dbraw/zinc/76/23/24/419762324.db2.gz XEWFASYIFXHXSJ-CYBMUJFWSA-N 2 2 286.423 3.349 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035259014 270027429 /nfs/dbraw/zinc/02/74/29/270027429.db2.gz XWWOWHPXUPTFPF-QAPCUYQASA-N 2 2 272.436 3.008 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c[nH+]1 ZINC000037003736 270028424 /nfs/dbraw/zinc/02/84/24/270028424.db2.gz ZBJNXTBVPMNGKF-SQWLQELKSA-N 2 2 290.455 3.068 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c[nH+]1 ZINC000037003736 270028425 /nfs/dbraw/zinc/02/84/25/270028425.db2.gz ZBJNXTBVPMNGKF-SQWLQELKSA-N 2 2 290.455 3.068 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683935 270037427 /nfs/dbraw/zinc/03/74/27/270037427.db2.gz CCMOYTMOHDCXBB-NRXISQOPSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683935 270037428 /nfs/dbraw/zinc/03/74/28/270037428.db2.gz CCMOYTMOHDCXBB-NRXISQOPSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cncc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000189892868 270072460 /nfs/dbraw/zinc/07/24/60/270072460.db2.gz SAZZGFTZQMSGDO-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n1C ZINC000520253984 270098801 /nfs/dbraw/zinc/09/88/01/270098801.db2.gz GZJUUFSALVEWAY-CABCVRRESA-N 2 2 263.429 3.423 20 0 CGADLP CCCC1CCC([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000524771222 270114985 /nfs/dbraw/zinc/11/49/85/270114985.db2.gz ZOXPGIKHXNFEPH-FHERZECASA-N 2 2 252.446 3.277 20 0 CGADLP CCCC1CCC([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000524771222 270114986 /nfs/dbraw/zinc/11/49/86/270114986.db2.gz ZOXPGIKHXNFEPH-FHERZECASA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000525874821 270120502 /nfs/dbraw/zinc/12/05/02/270120502.db2.gz WVHIKFMIFPLUQE-OAHLLOKOSA-N 2 2 278.415 3.251 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccncc2Cl)C1 ZINC000527638593 270130408 /nfs/dbraw/zinc/13/04/08/270130408.db2.gz LODRDOHJXLQHLN-OKILXGFUSA-N 2 2 295.858 3.193 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccncc2Cl)C1 ZINC000527638593 270130409 /nfs/dbraw/zinc/13/04/09/270130409.db2.gz LODRDOHJXLQHLN-OKILXGFUSA-N 2 2 295.858 3.193 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527639882 270130555 /nfs/dbraw/zinc/13/05/55/270130555.db2.gz FXXLIILFFMVJFV-CCKFTAQKSA-N 2 2 299.462 3.070 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000527690050 270131956 /nfs/dbraw/zinc/13/19/56/270131956.db2.gz BHEKPXSTIAJOJL-YJBOKZPZSA-N 2 2 283.419 3.171 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527807997 270137565 /nfs/dbraw/zinc/13/75/65/270137565.db2.gz ORBCEQITFFUFHT-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527807997 270137566 /nfs/dbraw/zinc/13/75/66/270137566.db2.gz ORBCEQITFFUFHT-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527810115 270137653 /nfs/dbraw/zinc/13/76/53/270137653.db2.gz UVWJVHOCXYYAAO-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810115 270137654 /nfs/dbraw/zinc/13/76/54/270137654.db2.gz UVWJVHOCXYYAAO-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811184 270137781 /nfs/dbraw/zinc/13/77/81/270137781.db2.gz XFKOOHFDGOGPLH-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811184 270137782 /nfs/dbraw/zinc/13/77/82/270137782.db2.gz XFKOOHFDGOGPLH-FMKPAKJESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC12CC2 ZINC000527846349 270139385 /nfs/dbraw/zinc/13/93/85/270139385.db2.gz FFEADIQIWZZVGT-PBHICJAKSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC12CC2 ZINC000527846602 270139581 /nfs/dbraw/zinc/13/95/81/270139581.db2.gz GZOFEIDFDBXWQI-YOEHRIQHSA-N 2 2 281.403 3.210 20 0 CGADLP CCCC[N@H+](C)CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527849567 270139770 /nfs/dbraw/zinc/13/97/70/270139770.db2.gz GDONKSLNNUGYDJ-UHFFFAOYSA-N 2 2 291.439 3.039 20 0 CGADLP CCCC[N@@H+](C)CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527849567 270139771 /nfs/dbraw/zinc/13/97/71/270139771.db2.gz GDONKSLNNUGYDJ-UHFFFAOYSA-N 2 2 291.439 3.039 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527913894 270143969 /nfs/dbraw/zinc/14/39/69/270143969.db2.gz XSHPZFNCVPJICR-CQSZACIVSA-N 2 2 269.392 3.013 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527913894 270143970 /nfs/dbraw/zinc/14/39/70/270143970.db2.gz XSHPZFNCVPJICR-CQSZACIVSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010022 270151256 /nfs/dbraw/zinc/15/12/56/270151256.db2.gz HYHFSMXEYFDNOH-CXAGYDPISA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010022 270151257 /nfs/dbraw/zinc/15/12/57/270151257.db2.gz HYHFSMXEYFDNOH-CXAGYDPISA-N 2 2 276.399 3.493 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530214812 270195583 /nfs/dbraw/zinc/19/55/83/270195583.db2.gz CYPNJHKOLPFCJI-KGLIPLIRSA-N 2 2 264.438 3.464 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000530222216 270196605 /nfs/dbraw/zinc/19/66/05/270196605.db2.gz QYADVEMKXBGLDK-HZPDHXFCSA-N 2 2 274.408 3.021 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530243378 270197249 /nfs/dbraw/zinc/19/72/49/270197249.db2.gz HRURIACROVRLNL-AWEZNQCLSA-N 2 2 264.800 3.023 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531685833 270208677 /nfs/dbraw/zinc/20/86/77/270208677.db2.gz PYAOARMMCQTGKN-IAQYHMDHSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531735319 270209174 /nfs/dbraw/zinc/20/91/74/270209174.db2.gz ZFVHBXRCJIHXLT-MDASCCDHSA-N 2 2 284.447 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531735319 270209175 /nfs/dbraw/zinc/20/91/75/270209175.db2.gz ZFVHBXRCJIHXLT-MDASCCDHSA-N 2 2 284.447 3.080 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531957525 270211668 /nfs/dbraw/zinc/21/16/68/270211668.db2.gz RZMLLBCZODRUPI-GUYCJALGSA-N 2 2 287.382 3.326 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000531979368 270212086 /nfs/dbraw/zinc/21/20/86/270212086.db2.gz FJBCRRIYQLDRNR-RHSMWYFYSA-N 2 2 274.452 3.066 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000531979368 270212087 /nfs/dbraw/zinc/21/20/87/270212087.db2.gz FJBCRRIYQLDRNR-RHSMWYFYSA-N 2 2 274.452 3.066 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532530289 270216831 /nfs/dbraw/zinc/21/68/31/270216831.db2.gz WEMKXCUIXCNCKK-GJZGRUSLSA-N 2 2 260.425 3.241 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532530289 270216832 /nfs/dbraw/zinc/21/68/32/270216832.db2.gz WEMKXCUIXCNCKK-GJZGRUSLSA-N 2 2 260.425 3.241 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000237013252 287654280 /nfs/dbraw/zinc/65/42/80/287654280.db2.gz LCKYIDRMGPAUPC-ZWKOTPCHSA-N 2 2 272.436 3.105 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423551730 273590630 /nfs/dbraw/zinc/59/06/30/273590630.db2.gz JKFZBPUQWDPHEC-OCCSQVGLSA-N 2 2 262.397 3.025 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453245668 274243346 /nfs/dbraw/zinc/24/33/46/274243346.db2.gz IKJLQNOVZTVCOL-XEBKBJJBSA-N 2 2 273.355 3.414 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000353674817 274263710 /nfs/dbraw/zinc/26/37/10/274263710.db2.gz XUNDREUXKOJUNE-HIFRSBDPSA-N 2 2 292.386 3.097 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422863727 274516588 /nfs/dbraw/zinc/51/65/88/274516588.db2.gz PMSSFGLUAXATBD-ZANVPECISA-N 2 2 290.304 3.075 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H](C)Cn2cc[nH+]c2)C1 ZINC000248457244 287766823 /nfs/dbraw/zinc/76/68/23/287766823.db2.gz MFKXEEYVVFWLSP-XHSDSOJGSA-N 2 2 263.429 3.325 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430593774 274876635 /nfs/dbraw/zinc/87/66/35/274876635.db2.gz JEUNTWLWVWWBQM-KRWDZBQOSA-N 2 2 287.407 3.113 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177901 274880372 /nfs/dbraw/zinc/88/03/72/274880372.db2.gz BFFLIGBOYYBNOU-HZMBPMFUSA-N 2 2 285.218 3.322 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422936958 274962394 /nfs/dbraw/zinc/96/23/94/274962394.db2.gz NIYGCSICDJLDSZ-ROUUACIJSA-N 2 2 296.414 3.235 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCSC2)cc1 ZINC000414853242 275749786 /nfs/dbraw/zinc/74/97/86/275749786.db2.gz XGHILHGZLMDZOI-JKSUJKDBSA-N 2 2 278.465 3.295 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000488445640 276001947 /nfs/dbraw/zinc/00/19/47/276001947.db2.gz RULNVZYWQDTPIK-FZKCQIBNSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488445640 276001948 /nfs/dbraw/zinc/00/19/48/276001948.db2.gz RULNVZYWQDTPIK-FZKCQIBNSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422564092 276063260 /nfs/dbraw/zinc/06/32/60/276063260.db2.gz VEQOOVJTUKNJBU-XQQFMLRXSA-N 2 2 281.469 3.072 20 0 CGADLP CC(C)c1cnc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422564092 276063261 /nfs/dbraw/zinc/06/32/61/276063261.db2.gz VEQOOVJTUKNJBU-XQQFMLRXSA-N 2 2 281.469 3.072 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000338198434 276097664 /nfs/dbraw/zinc/09/76/64/276097664.db2.gz SZMRSZREJFYGKS-HNNXBMFYSA-N 2 2 282.378 3.274 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000250234480 276188180 /nfs/dbraw/zinc/18/81/80/276188180.db2.gz GNZSIOXYHCJOBC-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000250234480 276188181 /nfs/dbraw/zinc/18/81/81/276188181.db2.gz GNZSIOXYHCJOBC-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092047538 276188920 /nfs/dbraw/zinc/18/89/20/276188920.db2.gz RHOLZCXDUHXCKJ-OFLPRAFFSA-N 2 2 264.457 3.373 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092047538 276188921 /nfs/dbraw/zinc/18/89/21/276188921.db2.gz RHOLZCXDUHXCKJ-OFLPRAFFSA-N 2 2 264.457 3.373 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)cc(C)c1 ZINC000355101994 276234209 /nfs/dbraw/zinc/23/42/09/276234209.db2.gz JFMRUVSIAVARPF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)cc(C)c1 ZINC000355101994 276234210 /nfs/dbraw/zinc/23/42/10/276234210.db2.gz JFMRUVSIAVARPF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(C)c1 ZINC000355101994 276234211 /nfs/dbraw/zinc/23/42/11/276234211.db2.gz JFMRUVSIAVARPF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)cc(C)c1 ZINC000355101994 276234213 /nfs/dbraw/zinc/23/42/13/276234213.db2.gz JFMRUVSIAVARPF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000355529810 276252098 /nfs/dbraw/zinc/25/20/98/276252098.db2.gz ILCYVJILSBUGCD-JCURWCKSSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000355529810 276252099 /nfs/dbraw/zinc/25/20/99/276252099.db2.gz ILCYVJILSBUGCD-JCURWCKSSA-N 2 2 276.399 3.133 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423244345 276266685 /nfs/dbraw/zinc/26/66/85/276266685.db2.gz LBOHJNHEQKNHHM-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353291714 276373565 /nfs/dbraw/zinc/37/35/65/276373565.db2.gz ODAKXBMVUWQIHV-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353291714 276373566 /nfs/dbraw/zinc/37/35/66/276373566.db2.gz ODAKXBMVUWQIHV-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(F)cc(F)cc2C1 ZINC000361689927 277044740 /nfs/dbraw/zinc/04/47/40/277044740.db2.gz SUFXHGOBANUUSX-OAHLLOKOSA-N 2 2 294.389 3.197 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(F)cc(F)cc2C1 ZINC000361689927 277044741 /nfs/dbraw/zinc/04/47/41/277044741.db2.gz SUFXHGOBANUUSX-OAHLLOKOSA-N 2 2 294.389 3.197 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361689927 277044742 /nfs/dbraw/zinc/04/47/42/277044742.db2.gz SUFXHGOBANUUSX-OAHLLOKOSA-N 2 2 294.389 3.197 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361689927 277044743 /nfs/dbraw/zinc/04/47/43/277044743.db2.gz SUFXHGOBANUUSX-OAHLLOKOSA-N 2 2 294.389 3.197 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343108614 277064689 /nfs/dbraw/zinc/06/46/89/277064689.db2.gz MLIHYAAAADRPGZ-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343108614 277064690 /nfs/dbraw/zinc/06/46/90/277064690.db2.gz MLIHYAAAADRPGZ-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397830293 288031916 /nfs/dbraw/zinc/03/19/16/288031916.db2.gz MUIMVNOJSKHQDD-HNNXBMFYSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000397953194 288036181 /nfs/dbraw/zinc/03/61/81/288036181.db2.gz QLZSNXCZHDARIB-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000397953194 288036183 /nfs/dbraw/zinc/03/61/83/288036183.db2.gz QLZSNXCZHDARIB-CRAIPNDOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(C)CC1 ZINC000360947861 278375959 /nfs/dbraw/zinc/37/59/59/278375959.db2.gz ODJQUMFCLRQBOB-CHWSQXEVSA-N 2 2 275.440 3.274 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129346 278384815 /nfs/dbraw/zinc/38/48/15/278384815.db2.gz BRXABGALLTUZGA-NYTXWWLZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCC[C@H]1C ZINC000449129346 278384816 /nfs/dbraw/zinc/38/48/16/278384816.db2.gz BRXABGALLTUZGA-NYTXWWLZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)[C@H](C)[NH3+] ZINC000423433929 278387140 /nfs/dbraw/zinc/38/71/40/278387140.db2.gz COHKXTUUJLVHJA-SXMVTHIZSA-N 2 2 273.207 3.306 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301633249 279125398 /nfs/dbraw/zinc/12/53/98/279125398.db2.gz DFLRLKQNYSHSOW-HNNXBMFYSA-N 2 2 290.455 3.077 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000490226865 288117486 /nfs/dbraw/zinc/11/74/86/288117486.db2.gz HMSYSXSBPFKDLC-CCKFTAQKSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000490226865 288117488 /nfs/dbraw/zinc/11/74/88/288117488.db2.gz HMSYSXSBPFKDLC-CCKFTAQKSA-N 2 2 284.447 3.445 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000353931822 279388531 /nfs/dbraw/zinc/38/85/31/279388531.db2.gz KMPGLICZRVWWCQ-RBSFLKMASA-N 2 2 263.429 3.466 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022046003 288152986 /nfs/dbraw/zinc/15/29/86/288152986.db2.gz RZBAZUJMOGSBGO-CQSZACIVSA-N 2 2 252.789 3.086 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022046003 288152988 /nfs/dbraw/zinc/15/29/88/288152988.db2.gz RZBAZUJMOGSBGO-CQSZACIVSA-N 2 2 252.789 3.086 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CC2(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000526970972 288154773 /nfs/dbraw/zinc/15/47/73/288154773.db2.gz CWTZOXFSCOVODZ-WBVHZDCISA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CC2(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000526970972 288154775 /nfs/dbraw/zinc/15/47/75/288154775.db2.gz CWTZOXFSCOVODZ-WBVHZDCISA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970972 288154777 /nfs/dbraw/zinc/15/47/77/288154777.db2.gz CWTZOXFSCOVODZ-WBVHZDCISA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)CC2(F)CC2)CC[NH+]1Cc1ccccc1 ZINC000526970972 288154780 /nfs/dbraw/zinc/15/47/80/288154780.db2.gz CWTZOXFSCOVODZ-WBVHZDCISA-N 2 2 290.426 3.473 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000527659163 288183839 /nfs/dbraw/zinc/18/38/39/288183839.db2.gz HPHHRUGCUBUONW-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000527659163 288183845 /nfs/dbraw/zinc/18/38/45/288183845.db2.gz HPHHRUGCUBUONW-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Cl)C1 ZINC000527681077 288187940 /nfs/dbraw/zinc/18/79/40/288187940.db2.gz LCQWKEPSZJSEMQ-AWEZNQCLSA-N 2 2 295.858 3.193 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Cl)C1 ZINC000527681077 288187943 /nfs/dbraw/zinc/18/79/43/288187943.db2.gz LCQWKEPSZJSEMQ-AWEZNQCLSA-N 2 2 295.858 3.193 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000475511540 280013560 /nfs/dbraw/zinc/01/35/60/280013560.db2.gz SLYRNLBNGFXPCE-QITLCBANSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000475511540 280013563 /nfs/dbraw/zinc/01/35/63/280013563.db2.gz SLYRNLBNGFXPCE-QITLCBANSA-N 2 2 288.410 3.418 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423196628 280628554 /nfs/dbraw/zinc/62/85/54/280628554.db2.gz VSZJKABUZLSTOH-WBVHZDCISA-N 2 2 288.435 3.365 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529532662 288258853 /nfs/dbraw/zinc/25/88/53/288258853.db2.gz UBZHQBFLPSYEGG-QGZVFWFLSA-N 2 2 294.402 3.337 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529532662 288258856 /nfs/dbraw/zinc/25/88/56/288258856.db2.gz UBZHQBFLPSYEGG-QGZVFWFLSA-N 2 2 294.402 3.337 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423371643 281001948 /nfs/dbraw/zinc/00/19/48/281001948.db2.gz AOWUKCXNRMUWFX-RDJZCZTQSA-N 2 2 288.435 3.268 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178510 288295974 /nfs/dbraw/zinc/29/59/74/288295974.db2.gz ZCDKNBXKLFQSPY-QGZVFWFLSA-N 2 2 266.388 3.214 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188881631 281292390 /nfs/dbraw/zinc/29/23/90/281292390.db2.gz HRSRGJHRRFSNBU-CKEIUWERSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188881631 281292392 /nfs/dbraw/zinc/29/23/92/281292392.db2.gz HRSRGJHRRFSNBU-CKEIUWERSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343322482 281391867 /nfs/dbraw/zinc/39/18/67/281391867.db2.gz QNEMFSUTZRYOBC-INIZCTEOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343322482 281391869 /nfs/dbraw/zinc/39/18/69/281391869.db2.gz QNEMFSUTZRYOBC-INIZCTEOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531729359 288344932 /nfs/dbraw/zinc/34/49/32/288344932.db2.gz UGYAMPOPWMUADH-ZBFHGGJFSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000531729359 288344933 /nfs/dbraw/zinc/34/49/33/288344933.db2.gz UGYAMPOPWMUADH-ZBFHGGJFSA-N 2 2 260.425 3.296 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000531704372 288341451 /nfs/dbraw/zinc/34/14/51/288341451.db2.gz MKPFNIUFLFOKCU-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000531704372 288341454 /nfs/dbraw/zinc/34/14/54/288341454.db2.gz MKPFNIUFLFOKCU-INIZCTEOSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531722729 288343228 /nfs/dbraw/zinc/34/32/28/288343228.db2.gz FBVKMGMVPKLLPW-GDBMZVCRSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531722729 288343231 /nfs/dbraw/zinc/34/32/31/288343231.db2.gz FBVKMGMVPKLLPW-GDBMZVCRSA-N 2 2 290.451 3.212 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724570 288343497 /nfs/dbraw/zinc/34/34/97/288343497.db2.gz AJBJHODYQRMVOJ-GJZGRUSLSA-N 2 2 274.452 3.110 20 0 CGADLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000531728196 288343730 /nfs/dbraw/zinc/34/37/30/288343730.db2.gz DVOVCGSXASSIFZ-YJBOKZPZSA-N 2 2 290.451 3.468 20 0 CGADLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000531728196 288343731 /nfs/dbraw/zinc/34/37/31/288343731.db2.gz DVOVCGSXASSIFZ-YJBOKZPZSA-N 2 2 290.451 3.468 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532203403 288355498 /nfs/dbraw/zinc/35/54/98/288355498.db2.gz SFJMKDJMXVAUQT-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532203403 288355499 /nfs/dbraw/zinc/35/54/99/288355499.db2.gz SFJMKDJMXVAUQT-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP c1cn(CC[NH2+][C@@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000532460173 288362358 /nfs/dbraw/zinc/36/23/58/288362358.db2.gz RWUSPNJUBRGAQE-INIZCTEOSA-N 2 2 255.365 3.014 20 0 CGADLP CC1(C)CC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000548043913 288985815 /nfs/dbraw/zinc/98/58/15/288985815.db2.gz ARAIRNBRUVRPDF-UHFFFAOYSA-N 2 2 269.392 3.398 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000548498229 289010248 /nfs/dbraw/zinc/01/02/48/289010248.db2.gz LFDCNZSTDINOOC-OLZOCXBDSA-N 2 2 296.374 3.112 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000548498229 289010249 /nfs/dbraw/zinc/01/02/49/289010249.db2.gz LFDCNZSTDINOOC-OLZOCXBDSA-N 2 2 296.374 3.112 20 0 CGADLP Cc1ccc(CCC[NH+]2C[C@@H](C)S[C@H](C)C2)c[nH+]1 ZINC000548653781 289014611 /nfs/dbraw/zinc/01/46/11/289014611.db2.gz KYUJTSCVXAZIDC-ZIAGYGMSSA-N 2 2 264.438 3.148 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000548885112 289027762 /nfs/dbraw/zinc/02/77/62/289027762.db2.gz NAUQXFXEBCYJKC-QGTPRVQTSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609604 289048418 /nfs/dbraw/zinc/04/84/18/289048418.db2.gz CAGUNXYAYJNSSE-PHZSVIKTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609604 289048419 /nfs/dbraw/zinc/04/84/19/289048419.db2.gz CAGUNXYAYJNSSE-PHZSVIKTSA-N 2 2 284.447 3.253 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000554050698 289253461 /nfs/dbraw/zinc/25/34/61/289253461.db2.gz SVVKMLOELOKULY-HUUCEWRRSA-N 2 2 282.497 3.126 20 0 CGADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[NH+](C)C)cc1F ZINC000554090805 289257759 /nfs/dbraw/zinc/25/77/59/289257759.db2.gz ZAJRCLZMXRGGLS-GOEBONIOSA-N 2 2 294.414 3.012 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000554889764 289317521 /nfs/dbraw/zinc/31/75/21/289317521.db2.gz IDHMHKQWMCWZSE-UWIFEVILSA-N 2 2 281.403 3.357 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000555168548 289331538 /nfs/dbraw/zinc/33/15/38/289331538.db2.gz MIUZXMSIJPYOQF-KBMXLJTQSA-N 2 2 260.425 3.108 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000555564348 289349908 /nfs/dbraw/zinc/34/99/08/289349908.db2.gz MNALMPCMAWAZTA-WBMJQRKESA-N 2 2 278.827 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000555564348 289349909 /nfs/dbraw/zinc/34/99/09/289349909.db2.gz MNALMPCMAWAZTA-WBMJQRKESA-N 2 2 278.827 3.221 20 0 CGADLP c1cc2cccc(C[NH2+]Cc3c[nH+]c4n3CCCC4)c2o1 ZINC000556166220 289374608 /nfs/dbraw/zinc/37/46/08/289374608.db2.gz KLEKLSRFHZGVHG-UHFFFAOYSA-N 2 2 281.359 3.255 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000556592966 289399881 /nfs/dbraw/zinc/39/98/81/289399881.db2.gz UHZOWQRVGLFQQB-IBGZPJMESA-N 2 2 286.463 3.392 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000556592967 289399907 /nfs/dbraw/zinc/39/99/07/289399907.db2.gz UHZOWQRVGLFQQB-LJQANCHMSA-N 2 2 286.463 3.392 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000556765300 289406259 /nfs/dbraw/zinc/40/62/59/289406259.db2.gz WZXFJZFKXMRTGP-GOEBONIOSA-N 2 2 293.455 3.227 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCOC2(C)C)[NH+](C)C)cc1 ZINC000559722136 289553515 /nfs/dbraw/zinc/55/35/15/289553515.db2.gz QAJIMODAVQZMLB-SJORKVTESA-N 2 2 290.451 3.009 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123002221 290030790 /nfs/dbraw/zinc/03/07/90/290030790.db2.gz VSZBTLPZPUOUFA-SLEUVZQESA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123002221 290030794 /nfs/dbraw/zinc/03/07/94/290030794.db2.gz VSZBTLPZPUOUFA-SLEUVZQESA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccsc2S1 ZINC000423184875 300437803 /nfs/dbraw/zinc/43/78/03/300437803.db2.gz IYKLIXOUKMMOAG-HOSYDEDBSA-N 2 2 268.451 3.015 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C)[NH+](C)C ZINC000451160730 302208968 /nfs/dbraw/zinc/20/89/68/302208968.db2.gz HYKULLUXZLUELD-YDRHNJASSA-N 2 2 290.451 3.142 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1F ZINC000230007193 303378341 /nfs/dbraw/zinc/37/83/41/303378341.db2.gz RISRYIPMSFYWQD-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1F ZINC000230007193 303378343 /nfs/dbraw/zinc/37/83/43/303378343.db2.gz RISRYIPMSFYWQD-UHFFFAOYSA-N 2 2 290.357 3.316 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)n1C ZINC000563438641 321997793 /nfs/dbraw/zinc/99/77/93/321997793.db2.gz GQLVOQXKMIVVAR-AWEZNQCLSA-N 2 2 297.324 3.164 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000563486185 322000486 /nfs/dbraw/zinc/00/04/86/322000486.db2.gz WNVFEULTQDMYIY-MGPQQGTHSA-N 2 2 261.413 3.216 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000563486185 322000489 /nfs/dbraw/zinc/00/04/89/322000489.db2.gz WNVFEULTQDMYIY-MGPQQGTHSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000563741356 322008457 /nfs/dbraw/zinc/00/84/57/322008457.db2.gz WMWZMUWDYMSVSH-CYBMUJFWSA-N 2 2 286.872 3.362 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564098047 322020756 /nfs/dbraw/zinc/02/07/56/322020756.db2.gz FNQXITASPZDPGS-HRCADAONSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564098047 322020757 /nfs/dbraw/zinc/02/07/57/322020757.db2.gz FNQXITASPZDPGS-HRCADAONSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564098047 322020759 /nfs/dbraw/zinc/02/07/59/322020759.db2.gz FNQXITASPZDPGS-HRCADAONSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000564098047 322020760 /nfs/dbraw/zinc/02/07/60/322020760.db2.gz FNQXITASPZDPGS-HRCADAONSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000564295227 322025206 /nfs/dbraw/zinc/02/52/06/322025206.db2.gz ZAINXALXRHVIDL-UHFFFAOYSA-N 2 2 270.376 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000566365950 322119050 /nfs/dbraw/zinc/11/90/50/322119050.db2.gz ZXKKLQRNGGVHHI-ICCXJUOJSA-N 2 2 296.867 3.461 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000566365950 322119053 /nfs/dbraw/zinc/11/90/53/322119053.db2.gz ZXKKLQRNGGVHHI-ICCXJUOJSA-N 2 2 296.867 3.461 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCC34CC4)c2)c[nH+]1 ZINC000567180296 322153464 /nfs/dbraw/zinc/15/34/64/322153464.db2.gz FFFCNRZWBXPHLW-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000567588464 322169317 /nfs/dbraw/zinc/16/93/17/322169317.db2.gz CTRYDMFPSFSSAO-INIZCTEOSA-N 2 2 289.810 3.283 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1c(C)noc1C ZINC000567781677 322177643 /nfs/dbraw/zinc/17/76/43/322177643.db2.gz MSYOYPQVOZIHPF-OAHLLOKOSA-N 2 2 273.380 3.278 20 0 CGADLP Cc1ccccc1-c1cnc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)o1 ZINC000567990636 322187071 /nfs/dbraw/zinc/18/70/71/322187071.db2.gz PZDNVQLWACZXGS-MRXNPFEDSA-N 2 2 299.418 3.128 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568407799 322208316 /nfs/dbraw/zinc/20/83/16/322208316.db2.gz RUUPAMDKAPOITG-GOEBONIOSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000568407799 322208318 /nfs/dbraw/zinc/20/83/18/322208318.db2.gz RUUPAMDKAPOITG-GOEBONIOSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000570640553 322278710 /nfs/dbraw/zinc/27/87/10/322278710.db2.gz ITFMDTMDBIJURJ-VSZNYVQBSA-N 2 2 296.499 3.433 20 0 CGADLP CCN(CCc1cc[nH+]cc1C)CC[NH+]1CCCCCC1 ZINC000571078060 322289434 /nfs/dbraw/zinc/28/94/34/322289434.db2.gz DCFVCCMSASHEQC-UHFFFAOYSA-N 2 2 289.467 3.130 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166484 322323215 /nfs/dbraw/zinc/32/32/15/322323215.db2.gz DFZQQOOUUCALIQ-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2Cl)C1 ZINC000572166484 322323216 /nfs/dbraw/zinc/32/32/16/322323216.db2.gz DFZQQOOUUCALIQ-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2Cl)C1 ZINC000572166484 322323217 /nfs/dbraw/zinc/32/32/17/322323217.db2.gz DFZQQOOUUCALIQ-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccsc2Cl)C1 ZINC000572166484 322323218 /nfs/dbraw/zinc/32/32/18/322323218.db2.gz DFZQQOOUUCALIQ-AAEUAGOBSA-N 2 2 284.856 3.318 20 0 CGADLP FC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000572683473 322350428 /nfs/dbraw/zinc/35/04/28/322350428.db2.gz XJKQKDPRGPUNRR-KRWDZBQOSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000572683473 322350431 /nfs/dbraw/zinc/35/04/31/322350431.db2.gz XJKQKDPRGPUNRR-KRWDZBQOSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000572683473 322350434 /nfs/dbraw/zinc/35/04/34/322350434.db2.gz XJKQKDPRGPUNRR-KRWDZBQOSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000572683473 322350438 /nfs/dbraw/zinc/35/04/38/322350438.db2.gz XJKQKDPRGPUNRR-KRWDZBQOSA-N 2 2 288.410 3.087 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](Cc2ccccc2)C(C)C)n1C ZINC000573021687 322366625 /nfs/dbraw/zinc/36/66/25/322366625.db2.gz HTJZNJQZJPFANA-KRWDZBQOSA-N 2 2 285.435 3.333 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1cc(C(F)(F)F)ccc1Cl ZINC000573563789 322394443 /nfs/dbraw/zinc/39/44/43/322394443.db2.gz HWYOMLWRWCTCLQ-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1cc(C(F)(F)F)ccc1Cl ZINC000573563789 322394445 /nfs/dbraw/zinc/39/44/45/322394445.db2.gz HWYOMLWRWCTCLQ-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)o1 ZINC000582586146 329112631 /nfs/dbraw/zinc/11/26/31/329112631.db2.gz RUYVTLRXZZEPND-GJZGRUSLSA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)o1 ZINC000582586146 329112632 /nfs/dbraw/zinc/11/26/32/329112632.db2.gz RUYVTLRXZZEPND-GJZGRUSLSA-N 2 2 294.439 3.048 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000582725033 329131236 /nfs/dbraw/zinc/13/12/36/329131236.db2.gz LRJMMQCJWCQADY-NEPJUHHUSA-N 2 2 279.384 3.304 20 0 CGADLP CC(C)C[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000582766086 329155257 /nfs/dbraw/zinc/15/52/57/329155257.db2.gz JAEHBCZOQDLBAE-CQSZACIVSA-N 2 2 261.413 3.393 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)n1C ZINC000583033799 329305587 /nfs/dbraw/zinc/30/55/87/329305587.db2.gz BQXREWAEFQWNNF-GOEBONIOSA-N 2 2 287.382 3.294 20 0 CGADLP C[C@@H]([NH2+]Cc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650777 335161987 /nfs/dbraw/zinc/16/19/87/335161987.db2.gz PULVYNJQVRPBJX-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000576273511 335180723 /nfs/dbraw/zinc/18/07/23/335180723.db2.gz AKHPPZRHIXDYBZ-HUUCEWRRSA-N 2 2 292.471 3.133 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000576273511 335180724 /nfs/dbraw/zinc/18/07/24/335180724.db2.gz AKHPPZRHIXDYBZ-HUUCEWRRSA-N 2 2 292.471 3.133 20 0 CGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000576410500 335200548 /nfs/dbraw/zinc/20/05/48/335200548.db2.gz LEQUBJIJWRPKCA-AWEZNQCLSA-N 2 2 257.381 3.012 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576574581 335220178 /nfs/dbraw/zinc/22/01/78/335220178.db2.gz ZXNZGEPMJMOWCG-BBWFWOEESA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576574581 335220179 /nfs/dbraw/zinc/22/01/79/335220179.db2.gz ZXNZGEPMJMOWCG-BBWFWOEESA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576574581 335220180 /nfs/dbraw/zinc/22/01/80/335220180.db2.gz ZXNZGEPMJMOWCG-BBWFWOEESA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576574581 335220181 /nfs/dbraw/zinc/22/01/81/335220181.db2.gz ZXNZGEPMJMOWCG-BBWFWOEESA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000577170033 335313813 /nfs/dbraw/zinc/31/38/13/335313813.db2.gz UJRVVKFROIHVFT-XJKSGUPXSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000577170033 335313815 /nfs/dbraw/zinc/31/38/15/335313815.db2.gz UJRVVKFROIHVFT-XJKSGUPXSA-N 2 2 264.388 3.208 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)n1C ZINC000577232196 335327809 /nfs/dbraw/zinc/32/78/09/335327809.db2.gz XYIGPQDMQDVPRM-AAEUAGOBSA-N 2 2 289.345 3.329 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@H]21 ZINC000577746617 335396313 /nfs/dbraw/zinc/39/63/13/335396313.db2.gz ZVHLJXDPYNCBJG-RHSMWYFYSA-N 2 2 299.393 3.294 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@H]21 ZINC000577746617 335396315 /nfs/dbraw/zinc/39/63/15/335396315.db2.gz ZVHLJXDPYNCBJG-RHSMWYFYSA-N 2 2 299.393 3.294 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000581326305 336049950 /nfs/dbraw/zinc/04/99/50/336049950.db2.gz QFYVMFVSYRMGQF-SQNIBIBYSA-N 2 2 274.452 3.184 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000385441480 336146465 /nfs/dbraw/zinc/14/64/65/336146465.db2.gz TWSVEXVDSFNLBH-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000385441480 336146466 /nfs/dbraw/zinc/14/64/66/336146466.db2.gz TWSVEXVDSFNLBH-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290251677 500889931 /nfs/dbraw/zinc/88/99/31/500889931.db2.gz UHXVGFUVDPJRJQ-RDTXWAMCSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248884425 500893699 /nfs/dbraw/zinc/89/36/99/500893699.db2.gz UEXYGJGEEFUHRD-COMQUAJESA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248884425 500893700 /nfs/dbraw/zinc/89/37/00/500893700.db2.gz UEXYGJGEEFUHRD-COMQUAJESA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352912 533725824 /nfs/dbraw/zinc/72/58/24/533725824.db2.gz ZDIPICDGALTMBZ-VXGBXAGGSA-N 2 2 275.783 3.271 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423386515 533775480 /nfs/dbraw/zinc/77/54/80/533775480.db2.gz LJCKEQKRKZRQBT-BBRMVZONSA-N 2 2 276.424 3.124 20 0 CGADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423535294 533777727 /nfs/dbraw/zinc/77/77/27/533777727.db2.gz XIPYNNQSDZQFSF-ZOCIIQOWSA-N 2 2 296.414 3.101 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COC(C)(C)C1)c1ccccc1 ZINC000417928162 533783293 /nfs/dbraw/zinc/78/32/93/533783293.db2.gz GZSXCGQJJFYKQL-HOCLYGCPSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1C ZINC000414070945 533809783 /nfs/dbraw/zinc/80/97/83/533809783.db2.gz LMGNWKVZUPHKDP-QWQRMKEZSA-N 2 2 290.426 3.424 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H](C)[N@H+](C)C3CC3)cccc12 ZINC000449134264 533837182 /nfs/dbraw/zinc/83/71/82/533837182.db2.gz HWGHHZWZZLZUPS-AWEZNQCLSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+]C[C@H](C)[N@@H+](C)C3CC3)cccc12 ZINC000449134264 533837188 /nfs/dbraw/zinc/83/71/88/533837188.db2.gz HWGHHZWZZLZUPS-AWEZNQCLSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1Cl ZINC000423524687 533852745 /nfs/dbraw/zinc/85/27/45/533852745.db2.gz JVUTYUBGMVHVNZ-JTQLQIEISA-N 2 2 270.779 3.272 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)oc21 ZINC000423269199 533912619 /nfs/dbraw/zinc/91/26/19/533912619.db2.gz VOUMDEBPJWBNGP-GXTWGEPZSA-N 2 2 290.407 3.465 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@H]1C ZINC000414077119 533915220 /nfs/dbraw/zinc/91/52/20/533915220.db2.gz QVNZSBYHLHBQQN-DYEKYZERSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1OC(F)F ZINC000423535153 533994262 /nfs/dbraw/zinc/99/42/62/533994262.db2.gz XCQWASCQPQMRNP-SMDDNHRTSA-N 2 2 298.377 3.456 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])on2)cc1 ZINC000424338207 534183944 /nfs/dbraw/zinc/18/39/44/534183944.db2.gz UEMXGJGNMGFUTO-HZPDHXFCSA-N 2 2 285.391 3.010 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449132297 534267148 /nfs/dbraw/zinc/26/71/48/534267148.db2.gz UAKWDEGEHQZPHQ-DZGCQCFKSA-N 2 2 284.403 3.190 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000449132297 534267150 /nfs/dbraw/zinc/26/71/50/534267150.db2.gz UAKWDEGEHQZPHQ-DZGCQCFKSA-N 2 2 284.403 3.190 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1cncs1)C(C)C ZINC000155822190 519643664 /nfs/dbraw/zinc/64/36/64/519643664.db2.gz PETOTBJHFMDTBJ-CYBMUJFWSA-N 2 2 269.458 3.303 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2coc(-c3ccccc3)n2)CCCCCC1 ZINC000414863528 534549980 /nfs/dbraw/zinc/54/99/80/534549980.db2.gz XIXNTXRKUUMSOI-UHFFFAOYSA-N 2 2 299.418 3.483 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000084864191 521493393 /nfs/dbraw/zinc/49/33/93/521493393.db2.gz VQSJPSDPCDHMAD-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000084864191 521493387 /nfs/dbraw/zinc/49/33/87/521493387.db2.gz VQSJPSDPCDHMAD-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000084864191 521493400 /nfs/dbraw/zinc/49/34/00/521493400.db2.gz VQSJPSDPCDHMAD-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000084864191 521493403 /nfs/dbraw/zinc/49/34/03/521493403.db2.gz VQSJPSDPCDHMAD-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccco1 ZINC000163877271 521647158 /nfs/dbraw/zinc/64/71/58/521647158.db2.gz ZPDITBFTKANFHB-CQSZACIVSA-N 2 2 252.402 3.442 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163381221 521649763 /nfs/dbraw/zinc/64/97/63/521649763.db2.gz XKQLMEGQACQDCL-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163381221 521649766 /nfs/dbraw/zinc/64/97/66/521649766.db2.gz XKQLMEGQACQDCL-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)s1 ZINC000163446228 524046609 /nfs/dbraw/zinc/04/66/09/524046609.db2.gz TXBMHDYFLXLKRH-UONOGXRCSA-N 2 2 296.480 3.072 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)s1 ZINC000163446228 524046610 /nfs/dbraw/zinc/04/66/10/524046610.db2.gz TXBMHDYFLXLKRH-UONOGXRCSA-N 2 2 296.480 3.072 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000049592561 524150963 /nfs/dbraw/zinc/15/09/63/524150963.db2.gz USNYBFPYUUNPDU-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000049592561 524150972 /nfs/dbraw/zinc/15/09/72/524150972.db2.gz USNYBFPYUUNPDU-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000339292797 524873849 /nfs/dbraw/zinc/87/38/49/524873849.db2.gz AONMHSLLNIKYNL-DOMZBBRYSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000339292797 524873854 /nfs/dbraw/zinc/87/38/54/524873854.db2.gz AONMHSLLNIKYNL-DOMZBBRYSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000061626920 525247997 /nfs/dbraw/zinc/24/79/97/525247997.db2.gz BBDRKHNGCVBFGV-PWSUYJOCSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000061626920 525248008 /nfs/dbraw/zinc/24/80/08/525248008.db2.gz BBDRKHNGCVBFGV-PWSUYJOCSA-N 2 2 272.314 3.017 20 0 CGADLP Cc1n[nH]cc1C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000377633508 534850137 /nfs/dbraw/zinc/85/01/37/534850137.db2.gz VAEHJQFWPVVUMW-UHFFFAOYSA-N 2 2 298.434 3.234 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccco1 ZINC000151352552 525456625 /nfs/dbraw/zinc/45/66/25/525456625.db2.gz OQBBXYKZWIIKHD-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422935130 534864351 /nfs/dbraw/zinc/86/43/51/534864351.db2.gz KTKUSRVQTOUOIB-FZMZJTMJSA-N 2 2 287.432 3.131 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414121262 534878621 /nfs/dbraw/zinc/87/86/21/534878621.db2.gz GFEGQXRPQANKJR-LLVKDONJSA-N 2 2 292.452 3.202 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000157426122 527418981 /nfs/dbraw/zinc/41/89/81/527418981.db2.gz YDMRDGFLHFKLMD-JKSUJKDBSA-N 2 2 274.314 3.199 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H](C)C1 ZINC000364493149 527805612 /nfs/dbraw/zinc/80/56/12/527805612.db2.gz MPWPILOAMZNGBO-GDBMZVCRSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@H](C)C1 ZINC000364493149 527805616 /nfs/dbraw/zinc/80/56/16/527805616.db2.gz MPWPILOAMZNGBO-GDBMZVCRSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032351 527834653 /nfs/dbraw/zinc/83/46/53/527834653.db2.gz XFFTWBMNYYDMNM-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032351 527834658 /nfs/dbraw/zinc/83/46/58/527834658.db2.gz XFFTWBMNYYDMNM-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032351 527834663 /nfs/dbraw/zinc/83/46/63/527834663.db2.gz XFFTWBMNYYDMNM-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032351 527834665 /nfs/dbraw/zinc/83/46/65/527834665.db2.gz XFFTWBMNYYDMNM-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000423245617 527835207 /nfs/dbraw/zinc/83/52/07/527835207.db2.gz OYNCGZKYJMMCLH-BRWVUGGUSA-N 2 2 288.435 3.014 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437350258 527881030 /nfs/dbraw/zinc/88/10/30/527881030.db2.gz VKJJUGAIHZQTLQ-NXYGQSRBSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437350258 527881035 /nfs/dbraw/zinc/88/10/35/527881035.db2.gz VKJJUGAIHZQTLQ-NXYGQSRBSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437350256 527882053 /nfs/dbraw/zinc/88/20/53/527882053.db2.gz VKJJUGAIHZQTLQ-IIIMJFFVSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437350256 527882060 /nfs/dbraw/zinc/88/20/60/527882060.db2.gz VKJJUGAIHZQTLQ-IIIMJFFVSA-N 2 2 294.483 3.329 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1C ZINC000355099696 527901121 /nfs/dbraw/zinc/90/11/21/527901121.db2.gz AEPYRADWAMUGRH-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C)c1C ZINC000355099696 527901128 /nfs/dbraw/zinc/90/11/28/527901128.db2.gz AEPYRADWAMUGRH-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1C ZINC000355099696 527901131 /nfs/dbraw/zinc/90/11/31/527901131.db2.gz AEPYRADWAMUGRH-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1C ZINC000355099696 527901139 /nfs/dbraw/zinc/90/11/39/527901139.db2.gz AEPYRADWAMUGRH-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423367443 528067119 /nfs/dbraw/zinc/06/71/19/528067119.db2.gz MLSMCNKSMHTPPN-DETPVDSQSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]cn1C(C)C)CC(C)C ZINC000424134351 528281114 /nfs/dbraw/zinc/28/11/14/528281114.db2.gz NJWWSIBIHRRSOT-INIZCTEOSA-N 2 2 294.487 3.310 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423394037 528423879 /nfs/dbraw/zinc/42/38/79/528423879.db2.gz ZHTCKVTXDKBXOX-ABAIWWIYSA-N 2 2 250.386 3.017 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423316917 528515014 /nfs/dbraw/zinc/51/50/14/528515014.db2.gz YJSOBCRVMACXBK-CQSZACIVSA-N 2 2 282.815 3.143 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427847504 528655799 /nfs/dbraw/zinc/65/57/99/528655799.db2.gz AGZHLGSHSMZABB-SOUVJXGZSA-N 2 2 261.413 3.002 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000423234216 528691241 /nfs/dbraw/zinc/69/12/41/528691241.db2.gz LMJRZBWMPFBYMT-AWEZNQCLSA-N 2 2 264.413 3.126 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423296468 528819731 /nfs/dbraw/zinc/81/97/31/528819731.db2.gz GXXDWAONOVQXDE-JQWIXIFHSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423063127 528853429 /nfs/dbraw/zinc/85/34/29/528853429.db2.gz VNWZSKSGUSCQDF-AWEZNQCLSA-N 2 2 298.434 3.190 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])on1 ZINC000422794324 528885292 /nfs/dbraw/zinc/88/52/92/528885292.db2.gz YPPCOANGYYOVOX-HUUCEWRRSA-N 2 2 279.428 3.328 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423295554 528956611 /nfs/dbraw/zinc/95/66/11/528956611.db2.gz FDBOHIKOSPELDD-VXGBXAGGSA-N 2 2 268.376 3.002 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449141490 529002008 /nfs/dbraw/zinc/00/20/08/529002008.db2.gz LTYXEKJIIHKCKD-UYSNPLJNSA-N 2 2 284.513 3.372 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(CSC)CC1 ZINC000449141490 529002011 /nfs/dbraw/zinc/00/20/11/529002011.db2.gz LTYXEKJIIHKCKD-UYSNPLJNSA-N 2 2 284.513 3.372 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449059205 529106211 /nfs/dbraw/zinc/10/62/11/529106211.db2.gz OSSDUVJPRFJVHU-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449059205 529106212 /nfs/dbraw/zinc/10/62/12/529106212.db2.gz OSSDUVJPRFJVHU-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000358915699 529121633 /nfs/dbraw/zinc/12/16/33/529121633.db2.gz POCNVUCQTYNASU-HNNXBMFYSA-N 2 2 279.334 3.148 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C(C)(C)C ZINC000367383816 529175378 /nfs/dbraw/zinc/17/53/78/529175378.db2.gz FATGOKVQTNYFGB-UONOGXRCSA-N 2 2 263.429 3.483 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423235232 529175400 /nfs/dbraw/zinc/17/54/00/529175400.db2.gz NABKERVEEGXZOQ-GXFFZTMASA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1OC ZINC000423236982 529178428 /nfs/dbraw/zinc/17/84/28/529178428.db2.gz HSNNJNJOWVRHDO-DLBZAZTESA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OC)cc1 ZINC000367438207 529188577 /nfs/dbraw/zinc/18/85/77/529188577.db2.gz LLIYCTYHNWVKSU-QGZVFWFLSA-N 2 2 299.418 3.469 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423359479 529248312 /nfs/dbraw/zinc/24/83/12/529248312.db2.gz KPLOQMLISTVXSM-XEZPLFJOSA-N 2 2 278.465 3.447 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659471 535268118 /nfs/dbraw/zinc/26/81/18/535268118.db2.gz KDCNXHINFSOKBW-KGLIPLIRSA-N 2 2 251.418 3.013 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313254112 535281907 /nfs/dbraw/zinc/28/19/07/535281907.db2.gz OCTMFTFKSPGFAG-CQSZACIVSA-N 2 2 287.407 3.102 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2F)CC1 ZINC000125278548 535459575 /nfs/dbraw/zinc/45/95/75/535459575.db2.gz VCHNKMUJIHYEEY-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2F)CC1 ZINC000125278548 535459578 /nfs/dbraw/zinc/45/95/78/535459578.db2.gz VCHNKMUJIHYEEY-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000451509813 536813617 /nfs/dbraw/zinc/81/36/17/536813617.db2.gz ZKNSBMXRYXPDID-XOKHGSTOSA-N 2 2 299.418 3.021 20 0 CGADLP c1cn(CC[NH2+]Cc2ccc(C3CCCC3)cc2)c[nH+]1 ZINC000360976059 571840929 /nfs/dbraw/zinc/84/09/29/571840929.db2.gz XTEZFCPIQRHDSN-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000199980866 571976862 /nfs/dbraw/zinc/97/68/62/571976862.db2.gz PJNLABFGIRIMKX-QAPCUYQASA-N 2 2 268.404 3.297 20 0 CGADLP Cc1cccc2c(NCc3c[nH+]cn3C)c(C)c[nH+]c12 ZINC000291149857 572335103 /nfs/dbraw/zinc/33/51/03/572335103.db2.gz OWLISDIRLFHBQD-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926323989 618462339 /nfs/dbraw/zinc/46/23/39/618462339.db2.gz QTUQEIVWFDQGEU-SWKXRBFHSA-N 2 2 294.483 3.044 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926323989 618462348 /nfs/dbraw/zinc/46/23/48/618462348.db2.gz QTUQEIVWFDQGEU-SWKXRBFHSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224203318 618667962 /nfs/dbraw/zinc/66/79/62/618667962.db2.gz XLORICCAYVICCU-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224203318 618667965 /nfs/dbraw/zinc/66/79/65/618667965.db2.gz XLORICCAYVICCU-UWVGGRQHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1coc2ccccc12 ZINC000926451379 618687856 /nfs/dbraw/zinc/68/78/56/618687856.db2.gz ZDPFRAYXMFTJIE-NEPJUHHUSA-N 2 2 281.359 3.364 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000924535483 618802918 /nfs/dbraw/zinc/80/29/18/618802918.db2.gz WMVWXMAXBWDMPB-CQSZACIVSA-N 2 2 251.418 3.180 20 0 CGADLP Cc1nc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc1C ZINC000892591333 618869108 /nfs/dbraw/zinc/86/91/08/618869108.db2.gz FFWYFNRJCHPEKZ-CHWSQXEVSA-N 2 2 295.496 3.218 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(F)F ZINC000926843353 618932304 /nfs/dbraw/zinc/93/23/04/618932304.db2.gz WAXAGWPFMYCHCK-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)CC(F)F ZINC000926843353 618932305 /nfs/dbraw/zinc/93/23/05/618932305.db2.gz WAXAGWPFMYCHCK-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000925507524 618998594 /nfs/dbraw/zinc/99/85/94/618998594.db2.gz AAIVMZIJCPFROJ-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cscn1 ZINC000162377085 619077158 /nfs/dbraw/zinc/07/71/58/619077158.db2.gz VBFASMTWFDCEGN-WCQYABFASA-N 2 2 278.425 3.105 20 0 CGADLP CCO[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000925657649 619112074 /nfs/dbraw/zinc/11/20/74/619112074.db2.gz DKELSUUSOILSIX-IPELMVKDSA-N 2 2 298.430 3.442 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925661206 619116830 /nfs/dbraw/zinc/11/68/30/619116830.db2.gz TXBXJMVQBUYUOF-BXCJFSGLSA-N 2 2 288.460 3.056 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349842 619150576 /nfs/dbraw/zinc/15/05/76/619150576.db2.gz NKYHHSCLWDYXJP-CYBMUJFWSA-N 2 2 264.388 3.303 20 0 CGADLP CC1(C)[C@@H]([NH2+]Cc2cscc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925772845 619233770 /nfs/dbraw/zinc/23/37/70/619233770.db2.gz VFFQZSIVLFLCCC-WXHSDQCUSA-N 2 2 284.856 3.268 20 0 CGADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000925785128 619247254 /nfs/dbraw/zinc/24/72/54/619247254.db2.gz VJMJFPILYIDCHZ-KYOSRNDESA-N 2 2 264.438 3.177 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000893967050 619341262 /nfs/dbraw/zinc/34/12/62/619341262.db2.gz VVMGUVUBJOQDIQ-NSHDSACASA-N 2 2 277.393 3.104 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000925041239 619507475 /nfs/dbraw/zinc/50/74/75/619507475.db2.gz JJAGTPGRDAVHBC-FUHWJXTLSA-N 2 2 289.467 3.114 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000925041239 619507477 /nfs/dbraw/zinc/50/74/77/619507477.db2.gz JJAGTPGRDAVHBC-FUHWJXTLSA-N 2 2 289.467 3.114 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccsc2)c2cccc[nH+]2)CC1 ZINC000895111048 619733592 /nfs/dbraw/zinc/73/35/92/619733592.db2.gz JGBHEOWSINUPFJ-SHTZXODSSA-N 2 2 287.432 3.420 20 0 CGADLP C[C@@H](CC[NH2+]Cc1cnc(C2CCCC2)s1)[NH+](C)C ZINC000895297001 619799425 /nfs/dbraw/zinc/79/94/25/619799425.db2.gz HYSGUBMSKQNOEN-LBPRGKRZSA-N 2 2 281.469 3.231 20 0 CGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895376998 619815779 /nfs/dbraw/zinc/81/57/79/619815779.db2.gz DQTRRHKMNGBNIE-BBRMVZONSA-N 2 2 293.430 3.081 20 0 CGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895376998 619815783 /nfs/dbraw/zinc/81/57/83/619815783.db2.gz DQTRRHKMNGBNIE-BBRMVZONSA-N 2 2 293.430 3.081 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)sc1C ZINC000895508093 619838644 /nfs/dbraw/zinc/83/86/44/619838644.db2.gz DZNFMISGKJRBNA-IUODEOHRSA-N 2 2 295.496 3.312 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)sc1C ZINC000895508093 619838645 /nfs/dbraw/zinc/83/86/45/619838645.db2.gz DZNFMISGKJRBNA-IUODEOHRSA-N 2 2 295.496 3.312 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895645751 619863674 /nfs/dbraw/zinc/86/36/74/619863674.db2.gz BHAMTABJBHXFRG-RKVPGOIHSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000895645751 619863676 /nfs/dbraw/zinc/86/36/76/619863676.db2.gz BHAMTABJBHXFRG-RKVPGOIHSA-N 2 2 285.435 3.039 20 0 CGADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000897482759 620349694 /nfs/dbraw/zinc/34/96/94/620349694.db2.gz VUOAOMKLCULVAL-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)c2)c[nH+]1 ZINC000897955059 620455161 /nfs/dbraw/zinc/45/51/61/620455161.db2.gz OOKUOOABOVQLSG-TUKIKUTGSA-N 2 2 273.405 3.212 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1c(F)cccc1F ZINC000902318774 621241811 /nfs/dbraw/zinc/24/18/11/621241811.db2.gz IZDKUNKCAVQVSK-VXGBXAGGSA-N 2 2 282.378 3.394 20 0 CGADLP CCNc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000902299868 621244470 /nfs/dbraw/zinc/24/44/70/621244470.db2.gz HJHLBZQHCZEPHY-UHFFFAOYSA-N 2 2 284.407 3.105 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC(F)(F)CC1 ZINC000902435390 621318010 /nfs/dbraw/zinc/31/80/10/621318010.db2.gz SRFBQZFQNYFDEP-HFBAOOFYSA-N 2 2 294.389 3.415 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H](C)c1ccccc1 ZINC000902436603 621318163 /nfs/dbraw/zinc/31/81/63/621318163.db2.gz CJTZDROZIDWFSH-GTYSZEQSSA-N 2 2 280.415 3.393 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446084 621322769 /nfs/dbraw/zinc/32/27/69/621322769.db2.gz RPYPTZVVCNUPBN-FSPWUOQZSA-N 2 2 266.388 3.270 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(Cl)cc1 ZINC000902468440 621340619 /nfs/dbraw/zinc/34/06/19/621340619.db2.gz TZHXBYAJXVYBGB-GBJTYRQASA-N 2 2 264.800 3.274 20 0 CGADLP C[C@@H](C[NH2+][C@@H](CCc1cccnc1)c1ccccc1)[NH+](C)C ZINC000902794283 621449263 /nfs/dbraw/zinc/44/92/63/621449263.db2.gz UYHCTRVBSFFSPB-LPHOPBHVSA-N 2 2 297.446 3.295 20 0 CGADLP CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902885472 621483435 /nfs/dbraw/zinc/48/34/35/621483435.db2.gz AUWWNANEFOTVIG-STQMWFEESA-N 2 2 275.421 3.274 20 0 CGADLP CO[C@](C)(C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902997782 621523227 /nfs/dbraw/zinc/52/32/27/621523227.db2.gz ZZRLDGKEOVSGBE-KBXCAEBGSA-N 2 2 299.418 3.338 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@@H](C2CC2)C2CCCC2)n1 ZINC000903219877 621632853 /nfs/dbraw/zinc/63/28/53/621632853.db2.gz LMDBACRSCUTOAC-MRXNPFEDSA-N 2 2 293.480 3.263 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903335210 621691357 /nfs/dbraw/zinc/69/13/57/621691357.db2.gz MKLPSBWLFQNRTK-KBPBESRZSA-N 2 2 287.407 3.336 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903725433 621797182 /nfs/dbraw/zinc/79/71/82/621797182.db2.gz ZOUDMCWFMNVMCP-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903725433 621797185 /nfs/dbraw/zinc/79/71/85/621797185.db2.gz ZOUDMCWFMNVMCP-CHWSQXEVSA-N 2 2 282.378 3.347 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798808 621811680 /nfs/dbraw/zinc/81/16/80/621811680.db2.gz ARFGCUKHYMOMJP-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccccc1C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798808 621811683 /nfs/dbraw/zinc/81/16/83/621811683.db2.gz ARFGCUKHYMOMJP-GDBMZVCRSA-N 2 2 276.449 3.112 20 0 CGADLP Cc1ccccc1C1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903890228 621823199 /nfs/dbraw/zinc/82/31/99/621823199.db2.gz AAIGCHKJBLYLFH-CQSZACIVSA-N 2 2 282.378 3.157 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H]([NH3+])CC(F)F ZINC000903878454 621825350 /nfs/dbraw/zinc/82/53/50/621825350.db2.gz URRAFPVAEJVREM-OAHLLOKOSA-N 2 2 278.346 3.254 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)C[C@H]([NH3+])CC(F)F ZINC000903878454 621825351 /nfs/dbraw/zinc/82/53/51/621825351.db2.gz URRAFPVAEJVREM-OAHLLOKOSA-N 2 2 278.346 3.254 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903878818 621825430 /nfs/dbraw/zinc/82/54/30/621825430.db2.gz ZUBNHAAMEGFDRF-LLVKDONJSA-N 2 2 296.361 3.410 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903878818 621825431 /nfs/dbraw/zinc/82/54/31/621825431.db2.gz ZUBNHAAMEGFDRF-LLVKDONJSA-N 2 2 296.361 3.410 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299923 621901174 /nfs/dbraw/zinc/90/11/74/621901174.db2.gz RPOVWECBHHMDEZ-GFCCVEGCSA-N 2 2 286.341 3.195 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904299923 621901177 /nfs/dbraw/zinc/90/11/77/621901177.db2.gz RPOVWECBHHMDEZ-GFCCVEGCSA-N 2 2 286.341 3.195 20 0 CGADLP C[C@@H](C[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331208 621908428 /nfs/dbraw/zinc/90/84/28/621908428.db2.gz FYGDQEINJLSIFY-STQMWFEESA-N 2 2 283.485 3.332 20 0 CGADLP C[C@@H](C[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331208 621908434 /nfs/dbraw/zinc/90/84/34/621908434.db2.gz FYGDQEINJLSIFY-STQMWFEESA-N 2 2 283.485 3.332 20 0 CGADLP CC(C)OC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904336488 621908975 /nfs/dbraw/zinc/90/89/75/621908975.db2.gz QYIOPVTZJFOCOK-AWEZNQCLSA-N 2 2 270.461 3.029 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351033 621911453 /nfs/dbraw/zinc/91/14/53/621911453.db2.gz SVSFFCKTSSUMDU-INIZCTEOSA-N 2 2 298.352 3.339 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351033 621911455 /nfs/dbraw/zinc/91/14/55/621911455.db2.gz SVSFFCKTSSUMDU-INIZCTEOSA-N 2 2 298.352 3.339 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000904374369 621914318 /nfs/dbraw/zinc/91/43/18/621914318.db2.gz RNDAHTSJKUKSMY-JKSUJKDBSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000904374369 621914320 /nfs/dbraw/zinc/91/43/20/621914320.db2.gz RNDAHTSJKUKSMY-JKSUJKDBSA-N 2 2 275.440 3.025 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000904450961 621923409 /nfs/dbraw/zinc/92/34/09/621923409.db2.gz VESXRDNFEQDXFC-UHFFFAOYSA-N 2 2 276.767 3.181 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906592150 622252480 /nfs/dbraw/zinc/25/24/80/622252480.db2.gz ORFVXPBWVLSYFP-IAGOWNOFSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000062254268 623211309 /nfs/dbraw/zinc/21/13/09/623211309.db2.gz FDZXKZWTVWRLCT-LBPRGKRZSA-N 2 2 292.452 3.063 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000232696576 623462450 /nfs/dbraw/zinc/46/24/50/623462450.db2.gz JJAYERKBBMPSHG-LSDHHAIUSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(C)[nH+]1 ZINC000929830481 623805516 /nfs/dbraw/zinc/80/55/16/623805516.db2.gz DKZKAGXOOGLLKN-UHFFFAOYSA-N 2 2 297.402 3.048 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000921989045 625954232 /nfs/dbraw/zinc/95/42/32/625954232.db2.gz BUKOKFFWJHAELC-CQSZACIVSA-N 2 2 295.858 3.398 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CC[C@H]4C[C@H]43)c2)c[nH+]1 ZINC000922435530 626006173 /nfs/dbraw/zinc/00/61/73/626006173.db2.gz XRTZYCOCWXMPQW-XEZPLFJOSA-N 2 2 287.432 3.460 20 0 CGADLP Cc1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286974 626142669 /nfs/dbraw/zinc/14/26/69/626142669.db2.gz BZHNYBYPZPRZKX-AAEUAGOBSA-N 2 2 295.496 3.308 20 0 CGADLP Cc1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)sc1C(C)(C)C ZINC000923286974 626142670 /nfs/dbraw/zinc/14/26/70/626142670.db2.gz BZHNYBYPZPRZKX-AAEUAGOBSA-N 2 2 295.496 3.308 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCC2 ZINC000754796690 626587809 /nfs/dbraw/zinc/58/78/09/626587809.db2.gz YTQOQEWPQZLAOO-QAPCUYQASA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000754796690 626587810 /nfs/dbraw/zinc/58/78/10/626587810.db2.gz YTQOQEWPQZLAOO-QAPCUYQASA-N 2 2 272.436 3.446 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000766273495 627311449 /nfs/dbraw/zinc/31/14/49/627311449.db2.gz PYNHZPAMURBOAY-MAUKXSAKSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000766273495 627311457 /nfs/dbraw/zinc/31/14/57/627311457.db2.gz PYNHZPAMURBOAY-MAUKXSAKSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1 ZINC000766276032 627311536 /nfs/dbraw/zinc/31/15/36/627311536.db2.gz ZZLBRONYIXSBKN-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1 ZINC000766276032 627311541 /nfs/dbraw/zinc/31/15/41/627311541.db2.gz ZZLBRONYIXSBKN-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1 ZINC000766276029 627311967 /nfs/dbraw/zinc/31/19/67/627311967.db2.gz ZZLBRONYIXSBKN-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1 ZINC000766276029 627311970 /nfs/dbraw/zinc/31/19/70/627311970.db2.gz ZZLBRONYIXSBKN-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000769875072 627585979 /nfs/dbraw/zinc/58/59/79/627585979.db2.gz NRRDGDGLLWGFRN-LBPRGKRZSA-N 2 2 291.439 3.070 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775392056 628089068 /nfs/dbraw/zinc/08/90/68/628089068.db2.gz HBWKBXMYURVNFX-GUYCJALGSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000775392056 628089071 /nfs/dbraw/zinc/08/90/71/628089071.db2.gz HBWKBXMYURVNFX-GUYCJALGSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000776333741 628194500 /nfs/dbraw/zinc/19/45/00/628194500.db2.gz CSHMYVSBNUDUKI-GJZGRUSLSA-N 2 2 278.415 3.393 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000776804208 628233852 /nfs/dbraw/zinc/23/38/52/628233852.db2.gz DNAMQSMLOGKUCW-SFHVURJKSA-N 2 2 287.451 3.429 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@H]3CCCC[C@H]3C1)CC2 ZINC000779064258 628386109 /nfs/dbraw/zinc/38/61/09/628386109.db2.gz HXBCZVMGPUOFQN-QKPAOTATSA-N 2 2 273.424 3.146 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H](C)C2 ZINC000779071927 628386722 /nfs/dbraw/zinc/38/67/22/628386722.db2.gz HLUAAPSEFPPWTC-IIDMSEBBSA-N 2 2 272.436 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H](C)C2 ZINC000779071927 628386723 /nfs/dbraw/zinc/38/67/23/628386723.db2.gz HLUAAPSEFPPWTC-IIDMSEBBSA-N 2 2 272.436 3.302 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000782530298 628652945 /nfs/dbraw/zinc/65/29/45/628652945.db2.gz WSUXIAJNWOYKNJ-MGPQQGTHSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000782530298 628652948 /nfs/dbraw/zinc/65/29/48/628652948.db2.gz WSUXIAJNWOYKNJ-MGPQQGTHSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000862455805 629381394 /nfs/dbraw/zinc/38/13/94/629381394.db2.gz JRXCZHLPRJMKMX-YIZWMMSDSA-N 2 2 272.383 3.027 20 0 CGADLP FC(F)C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000862455805 629381402 /nfs/dbraw/zinc/38/14/02/629381402.db2.gz JRXCZHLPRJMKMX-YIZWMMSDSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793233495 629433257 /nfs/dbraw/zinc/43/32/57/629433257.db2.gz UFWGHFMDOYZQTC-KWCMIHLGSA-N 2 2 290.373 3.180 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000863542716 629602205 /nfs/dbraw/zinc/60/22/05/629602205.db2.gz XZRSMGSKGPGHRN-WFASDCNBSA-N 2 2 262.372 3.069 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000863653241 629632943 /nfs/dbraw/zinc/63/29/43/629632943.db2.gz GFPJLKSAGYYVPX-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(-c2cccs2)c1 ZINC000863653241 629632948 /nfs/dbraw/zinc/63/29/48/629632948.db2.gz GFPJLKSAGYYVPX-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000796717649 629819240 /nfs/dbraw/zinc/81/92/40/629819240.db2.gz QKJUFPOOSNIRPG-DLBZAZTESA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000796785792 629833493 /nfs/dbraw/zinc/83/34/93/629833493.db2.gz YYLDCDQBUJDNOQ-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000796785792 629833494 /nfs/dbraw/zinc/83/34/94/629833494.db2.gz YYLDCDQBUJDNOQ-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000865413012 630109461 /nfs/dbraw/zinc/10/94/61/630109461.db2.gz VTWWJTJFVZUUFM-LLVKDONJSA-N 2 2 263.772 3.023 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000817962798 632257862 /nfs/dbraw/zinc/25/78/62/632257862.db2.gz KYOVFGUDGURSQO-GDBMZVCRSA-N 2 2 286.423 3.040 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000866211640 633029782 /nfs/dbraw/zinc/02/97/82/633029782.db2.gz FOOXAXFWGXRRRU-DYVFJYSZSA-N 2 2 287.382 3.326 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)c2c1 ZINC000866208392 633029813 /nfs/dbraw/zinc/02/98/13/633029813.db2.gz ITMVUKZUFXILRU-NVXWUHKLSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208392 633029818 /nfs/dbraw/zinc/02/98/18/633029818.db2.gz ITMVUKZUFXILRU-NVXWUHKLSA-N 2 2 281.403 3.074 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000823724384 633145190 /nfs/dbraw/zinc/14/51/90/633145190.db2.gz YDXXDKQZLMZLLO-CRAIPNDOSA-N 2 2 283.419 3.056 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880237633 635948191 /nfs/dbraw/zinc/94/81/91/635948191.db2.gz ZBCNPABFEFYQSS-OAHLLOKOSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237633 635948195 /nfs/dbraw/zinc/94/81/95/635948195.db2.gz ZBCNPABFEFYQSS-OAHLLOKOSA-N 2 2 287.382 3.362 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872022861 633943243 /nfs/dbraw/zinc/94/32/43/633943243.db2.gz MBAUSLMUDKXXPI-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872022861 633943245 /nfs/dbraw/zinc/94/32/45/633943245.db2.gz MBAUSLMUDKXXPI-OWCLPIDISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872041542 633964958 /nfs/dbraw/zinc/96/49/58/633964958.db2.gz UDGBBCHPXVEMAE-AVGNSLFASA-N 2 2 280.387 3.055 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000872085678 634010677 /nfs/dbraw/zinc/01/06/77/634010677.db2.gz QIUFHLVGBJYHLE-QZWWFDLISA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000872085678 634010683 /nfs/dbraw/zinc/01/06/83/634010683.db2.gz QIUFHLVGBJYHLE-QZWWFDLISA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)COC2 ZINC000873235852 634295220 /nfs/dbraw/zinc/29/52/20/634295220.db2.gz SQHHHTJRNJITFR-GUYCJALGSA-N 2 2 288.435 3.146 20 0 CGADLP CSC(C)(C)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620544 634869997 /nfs/dbraw/zinc/86/99/97/634869997.db2.gz OWEXHSQXAKEKNZ-GFCCVEGCSA-N 2 2 267.442 3.121 20 0 CGADLP CSC(C)(C)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620544 634869999 /nfs/dbraw/zinc/86/99/99/634869999.db2.gz OWEXHSQXAKEKNZ-GFCCVEGCSA-N 2 2 267.442 3.121 20 0 CGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000841036723 635111101 /nfs/dbraw/zinc/11/11/01/635111101.db2.gz WJXURPSINNOJNS-LLVKDONJSA-N 2 2 290.354 3.140 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CSC[C@H]4C3)cc2)c[nH+]1 ZINC000877736720 635169762 /nfs/dbraw/zinc/16/97/62/635169762.db2.gz AQFTUNUVBHVOMA-JKSUJKDBSA-N 2 2 299.443 3.057 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CSC[C@H]4C3)cc2)c[nH+]1 ZINC000877736720 635169770 /nfs/dbraw/zinc/16/97/70/635169770.db2.gz AQFTUNUVBHVOMA-JKSUJKDBSA-N 2 2 299.443 3.057 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@H]1CCCC1(F)F ZINC000878319578 635459068 /nfs/dbraw/zinc/45/90/68/635459068.db2.gz WTFLUWSYTIQUFP-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@H]1CCCC1(F)F ZINC000878319578 635459073 /nfs/dbraw/zinc/45/90/73/635459073.db2.gz WTFLUWSYTIQUFP-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000879286195 635745747 /nfs/dbraw/zinc/74/57/47/635745747.db2.gz MXHDTBMPCMKRIU-GFCCVEGCSA-N 2 2 293.282 3.377 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](CCc2cncs2)CC1 ZINC000879952124 635886865 /nfs/dbraw/zinc/88/68/65/635886865.db2.gz SJVIFMYIJBKQAY-UHFFFAOYSA-N 2 2 293.480 3.026 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206175 635937408 /nfs/dbraw/zinc/93/74/08/635937408.db2.gz ZWIQECSUVAPCDP-INIZCTEOSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)(C)CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206175 635937412 /nfs/dbraw/zinc/93/74/12/635937412.db2.gz ZWIQECSUVAPCDP-INIZCTEOSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472555 636007303 /nfs/dbraw/zinc/00/73/03/636007303.db2.gz SPAABDRGYZVLPL-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP c1cn(C[C@H]([NH2+]CCCC2CC2)c2ccccc2)c[nH+]1 ZINC000880569302 636023035 /nfs/dbraw/zinc/02/30/35/636023035.db2.gz BBBMXNHPQZKKRB-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP CC1(C)CO[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569901 636023159 /nfs/dbraw/zinc/02/31/59/636023159.db2.gz LCIOTQQZOOZHMX-IRXDYDNUSA-N 2 2 299.418 3.029 20 0 CGADLP c1cn(C[C@H]([NH2+]CC2CCCC2)c2ccccc2)c[nH+]1 ZINC000880568514 636023219 /nfs/dbraw/zinc/02/32/19/636023219.db2.gz AYHUTZZEIPVPTQ-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP Cc1ncsc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570486 636023906 /nfs/dbraw/zinc/02/39/06/636023906.db2.gz WOMKRQCHUAHORU-OAHLLOKOSA-N 2 2 298.415 3.179 20 0 CGADLP C[C@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000128834542 636079057 /nfs/dbraw/zinc/07/90/57/636079057.db2.gz VISLPKCKOGFFFO-GOEBONIOSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000128834542 636079060 /nfs/dbraw/zinc/07/90/60/636079060.db2.gz VISLPKCKOGFFFO-GOEBONIOSA-N 2 2 273.424 3.181 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCCC3(CC3)C2)[nH+]c2n1CCCC2 ZINC000883171791 636564322 /nfs/dbraw/zinc/56/43/22/636564322.db2.gz IWLUSDHLORZLNE-CQSZACIVSA-N 2 2 273.424 3.074 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000883238049 636607961 /nfs/dbraw/zinc/60/79/61/636607961.db2.gz QJARCBLUYPIASV-INIZCTEOSA-N 2 2 299.462 3.277 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848569213 636611865 /nfs/dbraw/zinc/61/18/65/636611865.db2.gz XMDCLCHXRLSVCC-CAOSSQGBSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848569213 636611866 /nfs/dbraw/zinc/61/18/66/636611866.db2.gz XMDCLCHXRLSVCC-CAOSSQGBSA-N 2 2 250.430 3.028 20 0 CGADLP CC1(C)C[C@@]1(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000883252252 636623700 /nfs/dbraw/zinc/62/37/00/636623700.db2.gz APPMLPINZROMEV-AWEZNQCLSA-N 2 2 292.389 3.429 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2OC)CC1 ZINC000883264889 636634547 /nfs/dbraw/zinc/63/45/47/636634547.db2.gz MTXXYEWRYKRLDR-UHFFFAOYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2F)[C@H](C)C1 ZINC000883376768 636718682 /nfs/dbraw/zinc/71/86/82/636718682.db2.gz SOQQIHQYCPUECC-NKGKWGDASA-N 2 2 290.426 3.332 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2F)[C@H](C)C1 ZINC000883376768 636718686 /nfs/dbraw/zinc/71/86/86/636718686.db2.gz SOQQIHQYCPUECC-NKGKWGDASA-N 2 2 290.426 3.332 20 0 CGADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387495 636728331 /nfs/dbraw/zinc/72/83/31/636728331.db2.gz YUBJFKPENOZOOI-NUJGCVRESA-N 2 2 299.418 3.029 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000885922469 637312919 /nfs/dbraw/zinc/31/29/19/637312919.db2.gz CESYBUOKTQJPTK-VVLHAWIVSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000885922469 637312926 /nfs/dbraw/zinc/31/29/26/637312926.db2.gz CESYBUOKTQJPTK-VVLHAWIVSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000885922466 637313192 /nfs/dbraw/zinc/31/31/92/637313192.db2.gz CESYBUOKTQJPTK-LTIDMASMSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000885922466 637313196 /nfs/dbraw/zinc/31/31/96/637313196.db2.gz CESYBUOKTQJPTK-LTIDMASMSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000885940083 637322132 /nfs/dbraw/zinc/32/21/32/637322132.db2.gz AIUVMUQTZVRAGU-IAGOWNOFSA-N 2 2 299.418 3.310 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000885951450 637327635 /nfs/dbraw/zinc/32/76/35/637327635.db2.gz ITDMOVKBFQADLN-IXDOHACOSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1coc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000886003947 637353450 /nfs/dbraw/zinc/35/34/50/637353450.db2.gz OKBXJUWLSDKOHU-KRWDZBQOSA-N 2 2 295.386 3.395 20 0 CGADLP CC(C)(C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000924541699 638356814 /nfs/dbraw/zinc/35/68/14/638356814.db2.gz MQFAPJNWRISQLD-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707847 638392330 /nfs/dbraw/zinc/39/23/30/638392330.db2.gz VWZSCWMBTXSTIJ-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707847 638392332 /nfs/dbraw/zinc/39/23/32/638392332.db2.gz VWZSCWMBTXSTIJ-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[nH+]c1 ZINC000924925006 638425184 /nfs/dbraw/zinc/42/51/84/638425184.db2.gz DXJFLFOQJWQHJT-XHSDSOJGSA-N 2 2 271.408 3.218 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2c1C ZINC000925473238 638507382 /nfs/dbraw/zinc/50/73/82/638507382.db2.gz LDJYNDIRNATPOF-QGZVFWFLSA-N 2 2 283.419 3.159 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925599384 638541052 /nfs/dbraw/zinc/54/10/52/638541052.db2.gz YIKUPUBFUFYAPG-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP c1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccn2)cc1 ZINC000925720215 638580761 /nfs/dbraw/zinc/58/07/61/638580761.db2.gz WNGQRFSUHREHKB-SFHVURJKSA-N 2 2 293.414 3.123 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925734642 638588706 /nfs/dbraw/zinc/58/87/06/638588706.db2.gz BRHWIGFVYSRRFW-GFCCVEGCSA-N 2 2 297.402 3.231 20 0 CGADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925737568 638589871 /nfs/dbraw/zinc/58/98/71/638589871.db2.gz RMRUFNNGOZEMCY-KBPBESRZSA-N 2 2 282.815 3.097 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1 ZINC000925776005 638608238 /nfs/dbraw/zinc/60/82/38/638608238.db2.gz TXWCLEDTZAJFLP-USXIJHARSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000926141170 638720903 /nfs/dbraw/zinc/72/09/03/638720903.db2.gz GYZGGDOPXKVRRF-CHWSQXEVSA-N 2 2 279.428 3.207 20 0 CGADLP CSCCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926216085 638743389 /nfs/dbraw/zinc/74/33/89/638743389.db2.gz USSFZGQGUPWWMQ-LSDHHAIUSA-N 2 2 270.486 3.126 20 0 CGADLP CSCCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926216085 638743393 /nfs/dbraw/zinc/74/33/93/638743393.db2.gz USSFZGQGUPWWMQ-LSDHHAIUSA-N 2 2 270.486 3.126 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926472492 638774766 /nfs/dbraw/zinc/77/47/66/638774766.db2.gz JWWCWIRWSRFRIB-APWZRJJASA-N 2 2 297.446 3.267 20 0 CGADLP FC1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926639670 638793335 /nfs/dbraw/zinc/79/33/35/638793335.db2.gz SYNFKGQTMWFHGT-SSHXOBKSSA-N 2 2 268.420 3.121 20 0 CGADLP FC1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926639670 638793339 /nfs/dbraw/zinc/79/33/39/638793339.db2.gz SYNFKGQTMWFHGT-SSHXOBKSSA-N 2 2 268.420 3.121 20 0 CGADLP CCCC[N@H+](Cc1cnc[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034807 639101339 /nfs/dbraw/zinc/10/13/39/639101339.db2.gz XWOFAMOBSCZLOI-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP CCCC[N@@H+](Cc1cnc[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034807 639101343 /nfs/dbraw/zinc/10/13/43/639101343.db2.gz XWOFAMOBSCZLOI-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP CCCC[N@H+](Cc1c[nH]cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034807 639101346 /nfs/dbraw/zinc/10/13/46/639101346.db2.gz XWOFAMOBSCZLOI-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP CCCC[N@@H+](Cc1c[nH]cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034807 639101349 /nfs/dbraw/zinc/10/13/49/639101349.db2.gz XWOFAMOBSCZLOI-UHFFFAOYSA-N 2 2 292.471 3.321 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931350729 639138625 /nfs/dbraw/zinc/13/86/25/639138625.db2.gz VVHCIMMTFMADIY-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP Cc1cc(C)cc(OCC[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931348625 639138633 /nfs/dbraw/zinc/13/86/33/639138633.db2.gz IWGNCVRPEPAIIY-UHFFFAOYSA-N 2 2 290.451 3.098 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725434 639196754 /nfs/dbraw/zinc/19/67/54/639196754.db2.gz ZXNZGEPMJMOWCG-IXDOHACOSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725434 639196755 /nfs/dbraw/zinc/19/67/55/639196755.db2.gz ZXNZGEPMJMOWCG-IXDOHACOSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725434 639196757 /nfs/dbraw/zinc/19/67/57/639196757.db2.gz ZXNZGEPMJMOWCG-IXDOHACOSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931725434 639196758 /nfs/dbraw/zinc/19/67/58/639196758.db2.gz ZXNZGEPMJMOWCG-IXDOHACOSA-N 2 2 258.409 3.306 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000159054948 640029640 /nfs/dbraw/zinc/02/96/40/640029640.db2.gz MQYRNUFDXBVNSU-HZPDHXFCSA-N 2 2 288.435 3.017 20 0 CGADLP Clc1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252591308 640854814 /nfs/dbraw/zinc/85/48/14/640854814.db2.gz DMJJPOMUUDTTHH-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252591308 640854821 /nfs/dbraw/zinc/85/48/21/640854821.db2.gz DMJJPOMUUDTTHH-SMDDNHRTSA-N 2 2 284.856 3.366 20 0 CGADLP CSc1cc[nH+]c(N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC001156575994 805715631 /nfs/dbraw/zinc/71/56/31/805715631.db2.gz UVRKTWJDRAIHDZ-UHFFFAOYSA-N 2 2 291.464 3.116 20 0 CGADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(C(C)C)[nH+]1 ZINC001156774966 805732987 /nfs/dbraw/zinc/73/29/87/805732987.db2.gz LTDVFNARPMHLLX-UHFFFAOYSA-N 2 2 290.455 3.393 20 0 CGADLP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4ccc(C)cc43)C[C@H]2C1 ZINC001157688668 805853983 /nfs/dbraw/zinc/85/39/83/805853983.db2.gz FMCZLIDFGWEGJO-CALCHBBNSA-N 2 2 295.430 3.321 20 0 CGADLP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4ccc(C)cc43)C[C@H]2C1 ZINC001157688668 805853992 /nfs/dbraw/zinc/85/39/92/805853992.db2.gz FMCZLIDFGWEGJO-CALCHBBNSA-N 2 2 295.430 3.321 20 0 CGADLP COc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158270840 805933429 /nfs/dbraw/zinc/93/34/29/805933429.db2.gz VOONZDLZFSJQTO-MLGOLLRUSA-N 2 2 277.412 3.046 20 0 CGADLP Clc1cc(Nc2ccc3c(c2)CC[NH2+]C3)cn2cc[nH+]c12 ZINC001159267254 806070407 /nfs/dbraw/zinc/07/04/07/806070407.db2.gz YDKFSXFHOJPHTK-UHFFFAOYSA-N 2 2 298.777 3.377 20 0 CGADLP c1cc2c(c(Nc3ccc(N4CCCC4)[nH+]c3)c1)CC[NH2+]C2 ZINC001159366098 806087347 /nfs/dbraw/zinc/08/73/47/806087347.db2.gz QYEONXPQIGNPKX-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C[NH3+])cc1 ZINC001159484079 806111129 /nfs/dbraw/zinc/11/11/29/806111129.db2.gz NBUCACMSIVWMLS-UHFFFAOYSA-N 2 2 253.349 3.470 20 0 CGADLP Cc1ccc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC001159977881 806208113 /nfs/dbraw/zinc/20/81/13/806208113.db2.gz GRTATDSRESLRSG-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1c[nH+]cc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1C ZINC001160166461 806231027 /nfs/dbraw/zinc/23/10/27/806231027.db2.gz FKOHAVPELIFRGS-CQSZACIVSA-N 2 2 283.375 3.183 20 0 CGADLP CNc1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001160257032 806244025 /nfs/dbraw/zinc/24/40/25/806244025.db2.gz RMTJSYYPAPTUHG-HNNXBMFYSA-N 2 2 296.418 3.409 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc(C(C)C)[nH+]1 ZINC001160472568 806277819 /nfs/dbraw/zinc/27/78/19/806277819.db2.gz IMOFWHYTRIJCAS-QKDCVEJESA-N 2 2 288.439 3.336 20 0 CGADLP Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc(C(C)C)[nH+]1 ZINC001160472568 806277824 /nfs/dbraw/zinc/27/78/24/806277824.db2.gz IMOFWHYTRIJCAS-QKDCVEJESA-N 2 2 288.439 3.336 20 0 CGADLP FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC001160735776 806299760 /nfs/dbraw/zinc/29/97/60/806299760.db2.gz JAZWFKWDNSPLJJ-QWHCGFSZSA-N 2 2 295.308 3.187 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501985 806422702 /nfs/dbraw/zinc/42/27/02/806422702.db2.gz ASVINQGDQDUGKZ-MJGOQNOKSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC001254501985 806422708 /nfs/dbraw/zinc/42/27/08/806422708.db2.gz ASVINQGDQDUGKZ-MJGOQNOKSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001254506653 806427974 /nfs/dbraw/zinc/42/79/74/806427974.db2.gz WIZASPLQKSTSJE-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001254506653 806427977 /nfs/dbraw/zinc/42/79/77/806427977.db2.gz WIZASPLQKSTSJE-LLVKDONJSA-N 2 2 288.769 3.192 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840664 806494574 /nfs/dbraw/zinc/49/45/74/806494574.db2.gz LPLHVURDTGXZQB-KRWDZBQOSA-N 2 2 264.457 3.421 20 0 CGADLP CC(C)(C)CC(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840123 806494944 /nfs/dbraw/zinc/49/49/44/806494944.db2.gz CFOPKOBHIFOFHM-CQSZACIVSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254840783 806495636 /nfs/dbraw/zinc/49/56/36/806495636.db2.gz NYJSBNNDFDHKSS-FUHWJXTLSA-N 2 2 270.420 3.056 20 0 CGADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC001255030553 806529607 /nfs/dbraw/zinc/52/96/07/806529607.db2.gz COERHNKOFDEWLV-RTBURBONSA-N 2 2 296.414 3.196 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)C1 ZINC001162402285 806577342 /nfs/dbraw/zinc/57/73/42/806577342.db2.gz QCGOWJJDRWCCAB-HOTGVXAUSA-N 2 2 285.435 3.067 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)C1 ZINC001162402286 806577429 /nfs/dbraw/zinc/57/74/29/806577429.db2.gz QCGOWJJDRWCCAB-HZPDHXFCSA-N 2 2 285.435 3.067 20 0 CGADLP CCCC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001255313902 806606557 /nfs/dbraw/zinc/60/65/57/806606557.db2.gz RVLRPDRTQUEWEI-NSHDSACASA-N 2 2 255.431 3.135 20 0 CGADLP CCCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001255332955 806618504 /nfs/dbraw/zinc/61/85/04/806618504.db2.gz GCMXZJHTDIMFEY-HUUCEWRRSA-N 2 2 262.397 3.422 20 0 CGADLP CCCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001255332955 806618508 /nfs/dbraw/zinc/61/85/08/806618508.db2.gz GCMXZJHTDIMFEY-HUUCEWRRSA-N 2 2 262.397 3.422 20 0 CGADLP Cc1cccc2c(C)cc(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)[nH+]c12 ZINC001162789698 806666877 /nfs/dbraw/zinc/66/68/77/806666877.db2.gz KEQJMUYWUALJEN-VNQPRFMTSA-N 2 2 279.387 3.038 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]ccc2cc(Cl)ccc21 ZINC001162801839 806668153 /nfs/dbraw/zinc/66/81/53/806668153.db2.gz GSZVNDGJHUQSST-FZMZJTMJSA-N 2 2 293.773 3.248 20 0 CGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccn3cc[nH+]c23)c1 ZINC001162910443 806684125 /nfs/dbraw/zinc/68/41/25/806684125.db2.gz TWZASPIVYXYTEB-LBPRGKRZSA-N 2 2 276.343 3.298 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc([NH+](C)C)cc2C)CC1 ZINC000036934746 798853246 /nfs/dbraw/zinc/85/32/46/798853246.db2.gz ORWGWTXPTFKLMY-UHFFFAOYSA-N 2 2 275.440 3.347 20 0 CGADLP C[N@H+](Cc1cccc(F)c1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683648 806704277 /nfs/dbraw/zinc/70/42/77/806704277.db2.gz SSEWZDNSCSKWCQ-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1F)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683648 806704284 /nfs/dbraw/zinc/70/42/84/806704284.db2.gz SSEWZDNSCSKWCQ-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255683648 806704289 /nfs/dbraw/zinc/70/42/89/806704289.db2.gz SSEWZDNSCSKWCQ-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255683648 806704292 /nfs/dbraw/zinc/70/42/92/806704292.db2.gz SSEWZDNSCSKWCQ-YIONKMFJSA-N 2 2 294.389 3.412 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000094901284 798971350 /nfs/dbraw/zinc/97/13/50/798971350.db2.gz AGNMDYGZEXIAGX-QGZVFWFLSA-N 2 2 260.425 3.198 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000094901284 798971356 /nfs/dbraw/zinc/97/13/56/798971356.db2.gz AGNMDYGZEXIAGX-QGZVFWFLSA-N 2 2 260.425 3.198 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255704895 806712293 /nfs/dbraw/zinc/71/22/93/806712293.db2.gz HCIOYXFMSMPUNB-VXGBXAGGSA-N 2 2 287.329 3.128 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC001255704895 806712296 /nfs/dbraw/zinc/71/22/96/806712296.db2.gz HCIOYXFMSMPUNB-VXGBXAGGSA-N 2 2 287.329 3.128 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC000328376201 799251285 /nfs/dbraw/zinc/25/12/85/799251285.db2.gz UAWPSIQUIISKPW-ZFWWWQNUSA-N 2 2 280.843 3.345 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2Cl)C1 ZINC000328376201 799251288 /nfs/dbraw/zinc/25/12/88/799251288.db2.gz UAWPSIQUIISKPW-ZFWWWQNUSA-N 2 2 280.843 3.345 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347078557 799299926 /nfs/dbraw/zinc/29/99/26/799299926.db2.gz WASLVEKOYQHWIZ-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000347078557 799299929 /nfs/dbraw/zinc/29/99/29/799299929.db2.gz WASLVEKOYQHWIZ-MRXNPFEDSA-N 2 2 276.424 3.179 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000381531083 799381877 /nfs/dbraw/zinc/38/18/77/799381877.db2.gz AQEYMPZCVGWIAH-DYVFJYSZSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000381531083 799381887 /nfs/dbraw/zinc/38/18/87/799381887.db2.gz AQEYMPZCVGWIAH-DYVFJYSZSA-N 2 2 284.403 3.160 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000382276812 799394787 /nfs/dbraw/zinc/39/47/87/799394787.db2.gz NWIAPDVOJXSDEN-SSHXOBKSSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382280838 799394982 /nfs/dbraw/zinc/39/49/82/799394982.db2.gz OKCICFOXZQTZDK-LMPOIIKSSA-N 2 2 250.430 3.029 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001255772434 806742586 /nfs/dbraw/zinc/74/25/86/806742586.db2.gz HCJQHHRYQUWWFL-MRXNPFEDSA-N 2 2 262.441 3.248 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001255772434 806742593 /nfs/dbraw/zinc/74/25/93/806742593.db2.gz HCJQHHRYQUWWFL-MRXNPFEDSA-N 2 2 262.441 3.248 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC001255772531 806742710 /nfs/dbraw/zinc/74/27/10/806742710.db2.gz JRDDPODCRYSRFH-KRWDZBQOSA-N 2 2 274.452 3.392 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000389198898 799460825 /nfs/dbraw/zinc/46/08/25/799460825.db2.gz YFGGXYYPKIUJSA-TWMKSMIVSA-N 2 2 264.457 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000389198898 799460828 /nfs/dbraw/zinc/46/08/28/799460828.db2.gz YFGGXYYPKIUJSA-TWMKSMIVSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]([NH2+]Cc1ccns1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000404362660 799575912 /nfs/dbraw/zinc/57/59/12/799575912.db2.gz FWROTUIUONRIOP-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000441166371 799615905 /nfs/dbraw/zinc/61/59/05/799615905.db2.gz KCSSLGWOKPCPKA-GFCCVEGCSA-N 2 2 278.362 3.135 20 0 CGADLP CCCCOc1ccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000470016851 799646505 /nfs/dbraw/zinc/64/65/05/799646505.db2.gz WGRZLPZBVQXUAG-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000470016851 799646513 /nfs/dbraw/zinc/64/65/13/799646513.db2.gz WGRZLPZBVQXUAG-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000470021867 799646737 /nfs/dbraw/zinc/64/67/37/799646737.db2.gz CLYULOHSCFULFJ-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000470021867 799646742 /nfs/dbraw/zinc/64/67/42/799646742.db2.gz CLYULOHSCFULFJ-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000518666261 799666681 /nfs/dbraw/zinc/66/66/81/799666681.db2.gz YHZRTTDQFHGZLL-UHFFFAOYSA-N 2 2 259.397 3.148 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001255866202 806774926 /nfs/dbraw/zinc/77/49/26/806774926.db2.gz NBUOYWHGCMFVEB-AUUYWEPGSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001255866202 806774931 /nfs/dbraw/zinc/77/49/31/806774931.db2.gz NBUOYWHGCMFVEB-AUUYWEPGSA-N 2 2 298.405 3.142 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000702788307 799914978 /nfs/dbraw/zinc/91/49/78/799914978.db2.gz YCXFONIKMLXWDZ-UHFFFAOYSA-N 2 2 280.415 3.179 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)CC1(c2ccccc2)CC1 ZINC000702788307 799914983 /nfs/dbraw/zinc/91/49/83/799914983.db2.gz YCXFONIKMLXWDZ-UHFFFAOYSA-N 2 2 280.415 3.179 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703861728 799932001 /nfs/dbraw/zinc/93/20/01/799932001.db2.gz XDJQHWKZTZZBMU-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703861728 799932005 /nfs/dbraw/zinc/93/20/05/799932005.db2.gz XDJQHWKZTZZBMU-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC001255942427 806790965 /nfs/dbraw/zinc/79/09/65/806790965.db2.gz GHIJNBRJFGTVFK-HUUCEWRRSA-N 2 2 263.429 3.161 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1noc2ccccc12 ZINC001255951233 806795777 /nfs/dbraw/zinc/79/57/77/806795777.db2.gz OIVKUKPDTQKNDZ-ZDUSSCGKSA-N 2 2 275.396 3.038 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000713000526 800102206 /nfs/dbraw/zinc/10/22/06/800102206.db2.gz NBIVIOYYFXWCER-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2c(cccc2OC)C1 ZINC001255972410 806804095 /nfs/dbraw/zinc/80/40/95/806804095.db2.gz RDQVRFRSVMRVQF-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2c(cccc2OC)C1 ZINC001255972410 806804102 /nfs/dbraw/zinc/80/41/02/806804102.db2.gz RDQVRFRSVMRVQF-HNNXBMFYSA-N 2 2 290.451 3.174 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000715554640 800138779 /nfs/dbraw/zinc/13/87/79/800138779.db2.gz WTRSUYZXVHTAGR-ZLKJLUDKSA-N 2 2 281.469 3.283 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3(C4CC4)CCC3)cc2)c[nH+]1 ZINC000717820155 800205767 /nfs/dbraw/zinc/20/57/67/800205767.db2.gz RNRJCAWUCHHQNV-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721641028 800299573 /nfs/dbraw/zinc/29/95/73/800299573.db2.gz MRQUTZVWVSMMQW-WMLDXEAASA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)CC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721641028 800299576 /nfs/dbraw/zinc/29/95/76/800299576.db2.gz MRQUTZVWVSMMQW-WMLDXEAASA-N 2 2 260.425 3.197 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391790 800321382 /nfs/dbraw/zinc/32/13/82/800321382.db2.gz HNFNGVDVNDIPQM-JYAVWHMHSA-N 2 2 281.469 3.119 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](c2cccs2)C2CC2)c(C)[nH+]1 ZINC000724673760 800366524 /nfs/dbraw/zinc/36/65/24/800366524.db2.gz GGLAOEKJDPFNLM-AWEZNQCLSA-N 2 2 261.394 3.329 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCc3ccccc3[C@H](C)C2)c(C)[nH+]1 ZINC000724792119 800367122 /nfs/dbraw/zinc/36/71/22/800367122.db2.gz NFCRQGBDANEQKP-GFCCVEGCSA-N 2 2 269.392 3.188 20 0 CGADLP COc1cccc(C[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001256167195 806842277 /nfs/dbraw/zinc/84/22/77/806842277.db2.gz JGPWMORZJXWBSQ-HNNXBMFYSA-N 2 2 299.418 3.160 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001256195064 806848037 /nfs/dbraw/zinc/84/80/37/806848037.db2.gz YOUQNQRRHDXFHG-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924573179 800626213 /nfs/dbraw/zinc/62/62/13/800626213.db2.gz YBXILMOFVCSNPC-OAHLLOKOSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542325 806913295 /nfs/dbraw/zinc/91/32/95/806913295.db2.gz OLIMVTVXBMQDET-AHCXZYCDSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542325 806913296 /nfs/dbraw/zinc/91/32/96/806913296.db2.gz OLIMVTVXBMQDET-AHCXZYCDSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542325 806913300 /nfs/dbraw/zinc/91/33/00/806913300.db2.gz OLIMVTVXBMQDET-AHCXZYCDSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1F ZINC001256542325 806913304 /nfs/dbraw/zinc/91/33/04/806913304.db2.gz OLIMVTVXBMQDET-AHCXZYCDSA-N 2 2 290.426 3.329 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])CN1c1[nH+]ccc2cc(Cl)ccc21 ZINC001164463125 806951335 /nfs/dbraw/zinc/95/13/35/806951335.db2.gz XAOBUALVJMPUAI-VXGBXAGGSA-N 2 2 289.810 3.452 20 0 CGADLP Cc1cccc2c(C)cc(N3C[C@@H]4C[C@]4(C[NH+](C)C)C3)[nH+]c12 ZINC001165181620 806974450 /nfs/dbraw/zinc/97/44/50/806974450.db2.gz OHIGUNMCFBRLDP-KXBFYZLASA-N 2 2 295.430 3.240 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(Cl)cccc1Cl ZINC001118019092 802518479 /nfs/dbraw/zinc/51/84/79/802518479.db2.gz MZPRXGWVSJUWAQ-VIFPVBQESA-N 2 2 261.196 3.081 20 0 CGADLP Cc1cc[nH+]c(C)c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165455058 807003832 /nfs/dbraw/zinc/00/38/32/807003832.db2.gz RKKCBXOOEFGXAH-UHFFFAOYSA-N 2 2 281.403 3.242 20 0 CGADLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1N ZINC001244307824 803289889 /nfs/dbraw/zinc/28/98/89/803289889.db2.gz CRWOBWXYUUESMS-QGZVFWFLSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1N ZINC001244307824 803289891 /nfs/dbraw/zinc/28/98/91/803289891.db2.gz CRWOBWXYUUESMS-QGZVFWFLSA-N 2 2 295.430 3.031 20 0 CGADLP Cc1cc(C)c(N)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244617118 803465973 /nfs/dbraw/zinc/46/59/73/803465973.db2.gz RICGZUDNESSCQK-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244617118 803465978 /nfs/dbraw/zinc/46/59/78/803465978.db2.gz RICGZUDNESSCQK-KRWDZBQOSA-N 2 2 295.430 3.086 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)nc1 ZINC001137741634 803767079 /nfs/dbraw/zinc/76/70/79/803767079.db2.gz MACAEQMLARHQQG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)nc1 ZINC001137741634 803767085 /nfs/dbraw/zinc/76/70/85/803767085.db2.gz MACAEQMLARHQQG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)nc1 ZINC001137741634 803767091 /nfs/dbraw/zinc/76/70/91/803767091.db2.gz MACAEQMLARHQQG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)nc1 ZINC001137741634 803767100 /nfs/dbraw/zinc/76/71/00/803767100.db2.gz MACAEQMLARHQQG-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP c1cc2c[nH+]c(-c3ccc(C4CC[NH2+]CC4)cc3)nc2[nH]1 ZINC001245521904 803787540 /nfs/dbraw/zinc/78/75/40/803787540.db2.gz GRFQUEWTWQOSFU-UHFFFAOYSA-N 2 2 278.359 3.044 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2c[nH+]c(N)c(C)c2)ccc1OC ZINC001245541242 803800318 /nfs/dbraw/zinc/80/03/18/803800318.db2.gz OIYPTJGEGVNQFI-UHFFFAOYSA-N 2 2 299.418 3.490 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cccc1Cl ZINC001138721606 804017532 /nfs/dbraw/zinc/01/75/32/804017532.db2.gz AHZVBZAVHWONHU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cccc1Cl ZINC001138721606 804017542 /nfs/dbraw/zinc/01/75/42/804017542.db2.gz AHZVBZAVHWONHU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246078572 804116367 /nfs/dbraw/zinc/11/63/67/804116367.db2.gz VXVMDUWMXOLZSI-CRAIPNDOSA-N 2 2 268.404 3.216 20 0 CGADLP CCCCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087824 804120228 /nfs/dbraw/zinc/12/02/28/804120228.db2.gz QAWQGONNCAAUGF-FJBKBRRZSA-N 2 2 270.436 3.415 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246090249 804122288 /nfs/dbraw/zinc/12/22/88/804122288.db2.gz KIOUJMIIQXALFD-ZFWWWQNUSA-N 2 2 268.420 3.169 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246091333 804123293 /nfs/dbraw/zinc/12/32/93/804123293.db2.gz PJACUWVMCABLOU-GJZGRUSLSA-N 2 2 278.465 3.207 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246129932 804156634 /nfs/dbraw/zinc/15/66/34/804156634.db2.gz UVTYVPPTCSKAIA-HOTGVXAUSA-N 2 2 282.472 3.236 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246146019 804166664 /nfs/dbraw/zinc/16/66/64/804166664.db2.gz BJKXCVOZYGNXGW-LTIDMASMSA-N 2 2 282.472 3.235 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246175228 804189350 /nfs/dbraw/zinc/18/93/50/804189350.db2.gz IRPLTMDFNHKNJH-MRXNPFEDSA-N 2 2 260.425 3.216 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197043 804203531 /nfs/dbraw/zinc/20/35/31/804203531.db2.gz XVHXDHUYCITXCH-ZACQAIPSSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246197043 804203539 /nfs/dbraw/zinc/20/35/39/804203539.db2.gz XVHXDHUYCITXCH-ZACQAIPSSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCCCC2)C[NH2+]1 ZINC001246229367 804222349 /nfs/dbraw/zinc/22/23/49/804222349.db2.gz KXVFEPJGFJRVQA-GOEBONIOSA-N 2 2 258.409 3.186 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237013 804228985 /nfs/dbraw/zinc/22/89/85/804228985.db2.gz WCQHQRXETNERJM-JTQLQIEISA-N 2 2 288.769 3.238 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(OC)c1)C1CC[NH+](C)CC1 ZINC001139621739 804234645 /nfs/dbraw/zinc/23/46/45/804234645.db2.gz PCWSCMGAJZKNMJ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(OC)c1)C1CC[NH+](C)CC1 ZINC001139621739 804234648 /nfs/dbraw/zinc/23/46/48/804234648.db2.gz PCWSCMGAJZKNMJ-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2F)C[C@H](C)[NH2+]1 ZINC001246262302 804243757 /nfs/dbraw/zinc/24/37/57/804243757.db2.gz AKUYTZBJCOWQPR-DOFRTFSJSA-N 2 2 288.769 3.237 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C2CCC2)c1 ZINC001246271071 804249498 /nfs/dbraw/zinc/24/94/98/804249498.db2.gz DNBNAQZYVUFYEI-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246283070 804257905 /nfs/dbraw/zinc/25/79/05/804257905.db2.gz ZAIOINOBSNMJAI-ZDUSSCGKSA-N 2 2 286.341 3.282 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246287803 804261194 /nfs/dbraw/zinc/26/11/94/804261194.db2.gz LGXLTCPTAXPXOJ-CSMYWGQOSA-N 2 2 276.399 3.397 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+]C1(c2ccccc2Br)CC1 ZINC001246300820 804266910 /nfs/dbraw/zinc/26/69/10/804266910.db2.gz PEZNDSWRQFVYNL-LLVKDONJSA-N 2 2 297.240 3.026 20 0 CGADLP Cc1ccc(Cl)c(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246341999 804295009 /nfs/dbraw/zinc/29/50/09/804295009.db2.gz DCBGFTDGYSOUGH-VXGBXAGGSA-N 2 2 284.806 3.060 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC001246355282 804300992 /nfs/dbraw/zinc/30/09/92/804300992.db2.gz AXFPCDLJCLDJQO-ZIAGYGMSSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2CC[NH2+]C2)CCC(F)(F)CC1 ZINC001246455843 804338547 /nfs/dbraw/zinc/33/85/47/804338547.db2.gz ILIMWKFIMXWBJY-AWEZNQCLSA-N 2 2 294.389 3.351 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C[NH2+]1 ZINC001246461231 804341176 /nfs/dbraw/zinc/34/11/76/804341176.db2.gz XQWKHDUWDZCNKJ-COXVUDFISA-N 2 2 258.409 3.258 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001140022196 804352525 /nfs/dbraw/zinc/35/25/25/804352525.db2.gz ANGMXQGNAHNRQT-CZUORRHYSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001140022196 804352534 /nfs/dbraw/zinc/35/25/34/804352534.db2.gz ANGMXQGNAHNRQT-CZUORRHYSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCC12CC2 ZINC001140022455 804356604 /nfs/dbraw/zinc/35/66/04/804356604.db2.gz GFROHKSKNRMROD-UHFFFAOYSA-N 2 2 267.376 3.309 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCC12CC2 ZINC001140022455 804356611 /nfs/dbraw/zinc/35/66/11/804356611.db2.gz GFROHKSKNRMROD-UHFFFAOYSA-N 2 2 267.376 3.309 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546196 804396379 /nfs/dbraw/zinc/39/63/79/804396379.db2.gz ZTNVCOHFRAAFAO-DOMZBBRYSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246546196 804396384 /nfs/dbraw/zinc/39/63/84/804396384.db2.gz ZTNVCOHFRAAFAO-DOMZBBRYSA-N 2 2 282.428 3.120 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140200210 804400121 /nfs/dbraw/zinc/40/01/21/804400121.db2.gz SGSOTBRPCMWXTM-UHFFFAOYSA-N 2 2 290.451 3.315 20 0 CGADLP CCCCCC1CCC([N@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001246560224 804407417 /nfs/dbraw/zinc/40/74/17/804407417.db2.gz VBFFDOAIPNQFHQ-JCYILVPMSA-N 2 2 282.472 3.046 20 0 CGADLP CCCCCC1CCC([N@@H+](C)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001246560224 804407420 /nfs/dbraw/zinc/40/74/20/804407420.db2.gz VBFFDOAIPNQFHQ-JCYILVPMSA-N 2 2 282.472 3.046 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1[nH]nc2ccc(C)cc21 ZINC001140331481 804415820 /nfs/dbraw/zinc/41/58/20/804415820.db2.gz IEEPQWXEOKYZRH-UHFFFAOYSA-N 2 2 288.439 3.035 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1[nH]nc2ccc(C)cc21 ZINC001140331481 804415823 /nfs/dbraw/zinc/41/58/23/804415823.db2.gz IEEPQWXEOKYZRH-UHFFFAOYSA-N 2 2 288.439 3.035 20 0 CGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570409 804417146 /nfs/dbraw/zinc/41/71/46/804417146.db2.gz HQSQGHFVJBOHEV-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570409 804417147 /nfs/dbraw/zinc/41/71/47/804417147.db2.gz HQSQGHFVJBOHEV-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589947 804431678 /nfs/dbraw/zinc/43/16/78/804431678.db2.gz QDFVBZOTNOQFQF-AVGNSLFASA-N 2 2 292.389 3.222 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC[NH2+]1 ZINC001246589947 804431682 /nfs/dbraw/zinc/43/16/82/804431682.db2.gz QDFVBZOTNOQFQF-AVGNSLFASA-N 2 2 292.389 3.222 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246626827 804457458 /nfs/dbraw/zinc/45/74/58/804457458.db2.gz VHBLELCIMCBVDK-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246626827 804457459 /nfs/dbraw/zinc/45/74/59/804457459.db2.gz VHBLELCIMCBVDK-PBHICJAKSA-N 2 2 292.854 3.489 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645510 804472357 /nfs/dbraw/zinc/47/23/57/804472357.db2.gz BVSKRFFEDJPMMK-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645510 804472359 /nfs/dbraw/zinc/47/23/59/804472359.db2.gz BVSKRFFEDJPMMK-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246644859 804472535 /nfs/dbraw/zinc/47/25/35/804472535.db2.gz JGNIEDKIJSVLGX-CQDKDKBSSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001246644859 804472537 /nfs/dbraw/zinc/47/25/37/804472537.db2.gz JGNIEDKIJSVLGX-CQDKDKBSSA-N 2 2 298.352 3.073 20 0 CGADLP CCCCC[C@@H](CCC)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647823 804475218 /nfs/dbraw/zinc/47/52/18/804475218.db2.gz JRXADTOZSORFLJ-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC[C@@H](CCC)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246647823 804475222 /nfs/dbraw/zinc/47/52/22/804475222.db2.gz JRXADTOZSORFLJ-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658900 804484330 /nfs/dbraw/zinc/48/43/30/804484330.db2.gz QFPXLMWSDMCTPK-TYNCELHUSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658900 804484333 /nfs/dbraw/zinc/48/43/33/804484333.db2.gz QFPXLMWSDMCTPK-TYNCELHUSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccs2)C[NH2+]1 ZINC001246786116 804512177 /nfs/dbraw/zinc/51/21/77/804512177.db2.gz LSVYQUVONCIPHS-AGIUHOORSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2c2cccs2)C[NH2+]1 ZINC001246786116 804512178 /nfs/dbraw/zinc/51/21/78/804512178.db2.gz LSVYQUVONCIPHS-AGIUHOORSA-N 2 2 250.411 3.026 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001246789242 804512888 /nfs/dbraw/zinc/51/28/88/804512888.db2.gz CJBSFYWTKDQLIR-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001246789242 804512893 /nfs/dbraw/zinc/51/28/93/804512893.db2.gz CJBSFYWTKDQLIR-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C2CCCC1CCC2 ZINC001140805836 804523132 /nfs/dbraw/zinc/52/31/32/804523132.db2.gz MYZYWPZULGGAMI-UHFFFAOYSA-N 2 2 255.365 3.470 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246822600 804535717 /nfs/dbraw/zinc/53/57/17/804535717.db2.gz MBFQVEZTEATNOZ-LESCRADOSA-N 2 2 288.435 3.363 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246822600 804535723 /nfs/dbraw/zinc/53/57/23/804535723.db2.gz MBFQVEZTEATNOZ-LESCRADOSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@@H]1CC([N@@H+]2CCCCC23CC3)C[C@@H](CC)[NH2+]1 ZINC001246843836 804552116 /nfs/dbraw/zinc/55/21/16/804552116.db2.gz FPQQKLFQQNFWFJ-ZIAGYGMSSA-N 2 2 250.430 3.314 20 0 CGADLP CC[C@@H]1CC([N@H+]2CCCCC23CC3)C[C@@H](CC)[NH2+]1 ZINC001246843836 804552121 /nfs/dbraw/zinc/55/21/21/804552121.db2.gz FPQQKLFQQNFWFJ-ZIAGYGMSSA-N 2 2 250.430 3.314 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866889 804569126 /nfs/dbraw/zinc/56/91/26/804569126.db2.gz GAKRHKFVMGOPPG-HOCLYGCPSA-N 2 2 282.378 3.173 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC001246866889 804569131 /nfs/dbraw/zinc/56/91/31/804569131.db2.gz GAKRHKFVMGOPPG-HOCLYGCPSA-N 2 2 282.378 3.173 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883574 804580273 /nfs/dbraw/zinc/58/02/73/804580273.db2.gz WYIISJQATYHZRW-MSOLQXFVSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883574 804580279 /nfs/dbraw/zinc/58/02/79/804580279.db2.gz WYIISJQATYHZRW-MSOLQXFVSA-N 2 2 290.426 3.495 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001246887400 804581474 /nfs/dbraw/zinc/58/14/74/804581474.db2.gz ORQMHRGXXAZYDJ-ABAIWWIYSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001246887400 804581480 /nfs/dbraw/zinc/58/14/80/804581480.db2.gz ORQMHRGXXAZYDJ-ABAIWWIYSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[NH2+]1 ZINC001246905153 804590483 /nfs/dbraw/zinc/59/04/83/804590483.db2.gz LGEORZVJDWMKHB-QDIHITRGSA-N 2 2 250.430 3.170 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246913774 804596329 /nfs/dbraw/zinc/59/63/29/804596329.db2.gz MMKJESGYYDHCHE-QWHCGFSZSA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246913774 804596337 /nfs/dbraw/zinc/59/63/37/804596337.db2.gz MMKJESGYYDHCHE-QWHCGFSZSA-N 2 2 299.245 3.274 20 0 CGADLP Fc1cccc(C[N@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933594 804607091 /nfs/dbraw/zinc/60/70/91/804607091.db2.gz HFWCJPDASVMOQO-CIRFHOKZSA-N 2 2 288.410 3.178 20 0 CGADLP Fc1cccc(C[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933594 804607097 /nfs/dbraw/zinc/60/70/97/804607097.db2.gz HFWCJPDASVMOQO-CIRFHOKZSA-N 2 2 288.410 3.178 20 0 CGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143458563 804855403 /nfs/dbraw/zinc/85/54/03/804855403.db2.gz PRCCKSAKQJJQAK-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143458563 804855412 /nfs/dbraw/zinc/85/54/12/804855412.db2.gz PRCCKSAKQJJQAK-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143458563 804855420 /nfs/dbraw/zinc/85/54/20/804855420.db2.gz PRCCKSAKQJJQAK-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001143458563 804855430 /nfs/dbraw/zinc/85/54/30/804855430.db2.gz PRCCKSAKQJJQAK-OKILXGFUSA-N 2 2 298.352 3.007 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1[C@@H](C)CC ZINC001249410148 805143168 /nfs/dbraw/zinc/14/31/68/805143168.db2.gz PACNNKXNCHBXKL-HNNXBMFYSA-N 2 2 294.487 3.097 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1[C@@H](C)CC ZINC001249410148 805143171 /nfs/dbraw/zinc/14/31/71/805143171.db2.gz PACNNKXNCHBXKL-HNNXBMFYSA-N 2 2 294.487 3.097 20 0 CGADLP C[C@@H]1CC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001257106410 807055504 /nfs/dbraw/zinc/05/55/04/807055504.db2.gz PVRCJFVQQAYJEP-HUUCEWRRSA-N 2 2 294.483 3.281 20 0 CGADLP C[C@@H]1CC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001257106410 807055511 /nfs/dbraw/zinc/05/55/11/807055511.db2.gz PVRCJFVQQAYJEP-HUUCEWRRSA-N 2 2 294.483 3.281 20 0 CGADLP Nc1cc[nH+]c(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)c1 ZINC001166650067 807075561 /nfs/dbraw/zinc/07/55/61/807075561.db2.gz RHEIXAGJPHIPGM-AWEZNQCLSA-N 2 2 278.359 3.032 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257310478 807100416 /nfs/dbraw/zinc/10/04/16/807100416.db2.gz FGXVYXYMKHFZKC-OAHLLOKOSA-N 2 2 290.451 3.438 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257432350 807153368 /nfs/dbraw/zinc/15/33/68/807153368.db2.gz XCJAOIMRYZIPRS-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP c1ccc(N2CCC(C[NH2+]C3CCCCC3)CC2)[nH+]c1 ZINC001257451380 807163550 /nfs/dbraw/zinc/16/35/50/807163550.db2.gz KFVMUNVJUXKLRE-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC001258004602 807265485 /nfs/dbraw/zinc/26/54/85/807265485.db2.gz HJUYMPOOWXGGFP-UHFFFAOYSA-N 2 2 295.496 3.477 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059928 807282083 /nfs/dbraw/zinc/28/20/83/807282083.db2.gz FYOKDISEEJMGNX-SJORKVTESA-N 3 2 285.520 3.050 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059928 807282091 /nfs/dbraw/zinc/28/20/91/807282091.db2.gz FYOKDISEEJMGNX-SJORKVTESA-N 3 2 285.520 3.050 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167964730 807288589 /nfs/dbraw/zinc/28/85/89/807288589.db2.gz WXVBHPZTGCIKJK-CCNLRDMRSA-N 2 2 299.462 3.446 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964730 807288592 /nfs/dbraw/zinc/28/85/92/807288592.db2.gz WXVBHPZTGCIKJK-CCNLRDMRSA-N 2 2 299.462 3.446 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CCF)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168067199 807303881 /nfs/dbraw/zinc/30/38/81/807303881.db2.gz RRSWXTVVKBERCV-SCAQPMJSSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CCF)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168067199 807303889 /nfs/dbraw/zinc/30/38/89/807303889.db2.gz RRSWXTVVKBERCV-SCAQPMJSSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067199 807303898 /nfs/dbraw/zinc/30/38/98/807303898.db2.gz RRSWXTVVKBERCV-SCAQPMJSSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168067199 807303907 /nfs/dbraw/zinc/30/39/07/807303907.db2.gz RRSWXTVVKBERCV-SCAQPMJSSA-N 2 2 278.415 3.329 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001168192176 807343898 /nfs/dbraw/zinc/34/38/98/807343898.db2.gz NRXLBPIDWQYFGY-FRFSOERESA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001168192176 807343906 /nfs/dbraw/zinc/34/39/06/807343906.db2.gz NRXLBPIDWQYFGY-FRFSOERESA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001168192176 807343915 /nfs/dbraw/zinc/34/39/15/807343915.db2.gz NRXLBPIDWQYFGY-FRFSOERESA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001168192176 807343924 /nfs/dbraw/zinc/34/39/24/807343924.db2.gz NRXLBPIDWQYFGY-FRFSOERESA-N 2 2 292.854 3.297 20 0 CGADLP CSCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001258208741 807364700 /nfs/dbraw/zinc/36/47/00/807364700.db2.gz HSPANUDPYUEWQT-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP CSCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001258208741 807364709 /nfs/dbraw/zinc/36/47/09/807364709.db2.gz HSPANUDPYUEWQT-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1F ZINC001168353702 807390211 /nfs/dbraw/zinc/39/02/11/807390211.db2.gz QUNSNAUHGAQMHP-CYBMUJFWSA-N 2 2 276.399 3.351 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001168684717 807477575 /nfs/dbraw/zinc/47/75/75/807477575.db2.gz KRMBPDOQXSTHOM-HNNXBMFYSA-N 2 2 292.854 3.273 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001168766382 807507985 /nfs/dbraw/zinc/50/79/85/807507985.db2.gz HSDULRJEVQLDCJ-UHFFFAOYSA-N 2 2 298.434 3.067 20 0 CGADLP CCCCC[C@@H](CCC)[NH2+]CCc1[nH+]ccn1C ZINC001258667613 807534899 /nfs/dbraw/zinc/53/48/99/807534899.db2.gz PLYLRGAOLJMYIO-CQSZACIVSA-N 2 2 251.418 3.301 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169094962 807573021 /nfs/dbraw/zinc/57/30/21/807573021.db2.gz NZRANHCHPYNPCQ-YIYPIFLZSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169094962 807573026 /nfs/dbraw/zinc/57/30/26/807573026.db2.gz NZRANHCHPYNPCQ-YIYPIFLZSA-N 2 2 262.372 3.102 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC001258735895 807582264 /nfs/dbraw/zinc/58/22/64/807582264.db2.gz FKQGVQPPTDQLHG-CYBMUJFWSA-N 2 2 268.832 3.202 20 0 CGADLP Cc1cc([NH+]2CCCCC2)ccc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169234618 807610861 /nfs/dbraw/zinc/61/08/61/807610861.db2.gz IWVGZURLFOJOJT-CQSZACIVSA-N 2 2 284.407 3.191 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC001169282525 807621789 /nfs/dbraw/zinc/62/17/89/807621789.db2.gz DPUYZQTUFIZQKN-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC001169282525 807621794 /nfs/dbraw/zinc/62/17/94/807621794.db2.gz DPUYZQTUFIZQKN-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)C1CCC([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001258806275 807626421 /nfs/dbraw/zinc/62/64/21/807626421.db2.gz OTCQYVRJIAGYDV-XGHPGWEVSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001258806275 807626423 /nfs/dbraw/zinc/62/64/23/807626423.db2.gz OTCQYVRJIAGYDV-XGHPGWEVSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001258806275 807626425 /nfs/dbraw/zinc/62/64/25/807626425.db2.gz OTCQYVRJIAGYDV-XGHPGWEVSA-N 2 2 264.457 3.227 20 0 CGADLP CC(C)C1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001258806275 807626427 /nfs/dbraw/zinc/62/64/27/807626427.db2.gz OTCQYVRJIAGYDV-XGHPGWEVSA-N 2 2 264.457 3.227 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)Cc1ccccc1 ZINC001258838468 807651310 /nfs/dbraw/zinc/65/13/10/807651310.db2.gz YSESQUPXEKMBKL-QGZVFWFLSA-N 2 2 262.441 3.329 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)Cc1ccccc1 ZINC001258838468 807651313 /nfs/dbraw/zinc/65/13/13/807651313.db2.gz YSESQUPXEKMBKL-QGZVFWFLSA-N 2 2 262.441 3.329 20 0 CGADLP COc1ccccc1C[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258893481 807665818 /nfs/dbraw/zinc/66/58/18/807665818.db2.gz JZYSNITXFHBMDT-HOCLYGCPSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)COc1cc(NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001169801683 807710205 /nfs/dbraw/zinc/71/02/05/807710205.db2.gz GKSBWEGEXOIEMW-UHFFFAOYSA-N 2 2 289.423 3.014 20 0 CGADLP Cc1ccc(Nc2cccc(OCC[NH+](C)C)c2)[nH+]c1 ZINC001212803423 815142658 /nfs/dbraw/zinc/14/26/58/815142658.db2.gz ZVNYBANWPMWMJK-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137958 807772444 /nfs/dbraw/zinc/77/24/44/807772444.db2.gz QJVDUJQRZHFTQC-NQYYFHDYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137958 807772448 /nfs/dbraw/zinc/77/24/48/807772448.db2.gz QJVDUJQRZHFTQC-NQYYFHDYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137958 807772452 /nfs/dbraw/zinc/77/24/52/807772452.db2.gz QJVDUJQRZHFTQC-NQYYFHDYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137958 807772454 /nfs/dbraw/zinc/77/24/54/807772454.db2.gz QJVDUJQRZHFTQC-NQYYFHDYSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001170260364 807807444 /nfs/dbraw/zinc/80/74/44/807807444.db2.gz JCPKFPXHAOJSMT-HIFRSBDPSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001170260364 807807453 /nfs/dbraw/zinc/80/74/53/807807453.db2.gz JCPKFPXHAOJSMT-HIFRSBDPSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC001170265010 807808623 /nfs/dbraw/zinc/80/86/23/807808623.db2.gz CQJUXHMUBWKEPE-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001170290940 807819425 /nfs/dbraw/zinc/81/94/25/807819425.db2.gz FARXNRQYQZUWBM-AWEZNQCLSA-N 2 2 292.854 3.441 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767925 807904464 /nfs/dbraw/zinc/90/44/64/807904464.db2.gz SILAVKCWVIFMMV-LVQVYYBASA-N 2 2 286.419 3.278 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170767925 807904470 /nfs/dbraw/zinc/90/44/70/807904470.db2.gz SILAVKCWVIFMMV-LVQVYYBASA-N 2 2 286.419 3.278 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001171664585 808116327 /nfs/dbraw/zinc/11/63/27/808116327.db2.gz CWGHQMCKIVSIDA-MRXNPFEDSA-N 2 2 274.452 3.342 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001171664585 808116330 /nfs/dbraw/zinc/11/63/30/808116330.db2.gz CWGHQMCKIVSIDA-MRXNPFEDSA-N 2 2 274.452 3.342 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC001172101646 808172768 /nfs/dbraw/zinc/17/27/68/808172768.db2.gz GSVNAWARXCOETC-ZRJCITRHSA-N 2 2 279.453 3.117 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC001172101646 808172771 /nfs/dbraw/zinc/17/27/71/808172771.db2.gz GSVNAWARXCOETC-ZRJCITRHSA-N 2 2 279.453 3.117 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172371874 808266818 /nfs/dbraw/zinc/26/68/18/808266818.db2.gz BGDCZCAAROUVFO-OFQRWUPVSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172371874 808266823 /nfs/dbraw/zinc/26/68/23/808266823.db2.gz BGDCZCAAROUVFO-OFQRWUPVSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)OCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172446060 808319142 /nfs/dbraw/zinc/31/91/42/808319142.db2.gz VUAGODSJUINYNI-AWEZNQCLSA-N 2 2 287.407 3.385 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172648022 808407841 /nfs/dbraw/zinc/40/78/41/808407841.db2.gz SOWKMCQZHXXZRG-HNNXBMFYSA-N 2 2 296.499 3.433 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccc3[nH+]ccn3c2)CC(C)(C)O1 ZINC001172654612 808409221 /nfs/dbraw/zinc/40/92/21/808409221.db2.gz IYWMCJMNNLAAIB-UHFFFAOYSA-N 2 2 287.407 3.160 20 0 CGADLP Cc1[nH+]cn(C2CCC3(CCCC3)CC2)c1CC[NH3+] ZINC001172724304 808420749 /nfs/dbraw/zinc/42/07/49/808420749.db2.gz FGKBWQRZMHDFFJ-UHFFFAOYSA-N 2 2 261.413 3.368 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844466 808458205 /nfs/dbraw/zinc/45/82/05/808458205.db2.gz INEDREDADPKDNG-QWHCGFSZSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844466 808458209 /nfs/dbraw/zinc/45/82/09/808458209.db2.gz INEDREDADPKDNG-QWHCGFSZSA-N 2 2 298.833 3.482 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172864665 808469703 /nfs/dbraw/zinc/46/97/03/808469703.db2.gz ZSDDYMKITIMBQK-STQMWFEESA-N 2 2 298.833 3.484 20 0 CGADLP CC[C@@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173285838 808586995 /nfs/dbraw/zinc/58/69/95/808586995.db2.gz ZFORFYQSKUFVLK-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCCC2(CCCCC2)C1 ZINC001173348123 808625507 /nfs/dbraw/zinc/62/55/07/808625507.db2.gz IVFDVUMVDZJKHU-CQSZACIVSA-N 2 2 261.413 3.450 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687627 808665890 /nfs/dbraw/zinc/66/58/90/808665890.db2.gz PSEIZJQCSNIITI-DMKPSLHHSA-N 2 2 286.463 3.353 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC3(C[NH+](CC4CCCCC4)C3)C2)c1 ZINC001275040170 808900273 /nfs/dbraw/zinc/90/02/73/808900273.db2.gz WDXVZXWZXPAEFT-UHFFFAOYSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC3(C[NH+](CC4CCCCC4)C3)C2)c1 ZINC001275040170 808900278 /nfs/dbraw/zinc/90/02/78/808900278.db2.gz WDXVZXWZXPAEFT-UHFFFAOYSA-N 2 2 287.451 3.103 20 0 CGADLP CCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275103498 808909468 /nfs/dbraw/zinc/90/94/68/808909468.db2.gz LHOMFIDPBJPLKS-KRWDZBQOSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275103498 808909474 /nfs/dbraw/zinc/90/94/74/808909474.db2.gz LHOMFIDPBJPLKS-KRWDZBQOSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275103498 808909483 /nfs/dbraw/zinc/90/94/83/808909483.db2.gz LHOMFIDPBJPLKS-KRWDZBQOSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275103498 808909489 /nfs/dbraw/zinc/90/94/89/808909489.db2.gz LHOMFIDPBJPLKS-KRWDZBQOSA-N 2 2 275.440 3.103 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174411439 809003652 /nfs/dbraw/zinc/00/36/52/809003652.db2.gz ZCQADXIMKLLNNY-UHFFFAOYSA-N 2 2 266.348 3.320 20 0 CGADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c2ccccc12 ZINC001276381633 809005418 /nfs/dbraw/zinc/00/54/18/809005418.db2.gz CQYLLOUVOPUXII-UHFFFAOYSA-N 2 2 280.415 3.286 20 0 CGADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c2ccccc12 ZINC001276381633 809005426 /nfs/dbraw/zinc/00/54/26/809005426.db2.gz CQYLLOUVOPUXII-UHFFFAOYSA-N 2 2 280.415 3.286 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277796577 809097300 /nfs/dbraw/zinc/09/73/00/809097300.db2.gz GVZBCFJFMIMFGZ-QGZVFWFLSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277796577 809097306 /nfs/dbraw/zinc/09/73/06/809097306.db2.gz GVZBCFJFMIMFGZ-QGZVFWFLSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277796577 809097312 /nfs/dbraw/zinc/09/73/12/809097312.db2.gz GVZBCFJFMIMFGZ-QGZVFWFLSA-N 2 2 275.440 3.101 20 0 CGADLP CC(C)[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277796577 809097320 /nfs/dbraw/zinc/09/73/20/809097320.db2.gz GVZBCFJFMIMFGZ-QGZVFWFLSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807029 809098505 /nfs/dbraw/zinc/09/85/05/809098505.db2.gz KHYNDZNFVCDWSD-AEFFLSMTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807029 809098511 /nfs/dbraw/zinc/09/85/11/809098511.db2.gz KHYNDZNFVCDWSD-AEFFLSMTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807029 809098519 /nfs/dbraw/zinc/09/85/19/809098519.db2.gz KHYNDZNFVCDWSD-AEFFLSMTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807029 809098524 /nfs/dbraw/zinc/09/85/24/809098524.db2.gz KHYNDZNFVCDWSD-AEFFLSMTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001277807010 809098715 /nfs/dbraw/zinc/09/87/15/809098715.db2.gz KDYKLXTYNVVMBQ-LBPRGKRZSA-N 2 2 278.362 3.135 20 0 CGADLP CC[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001277807010 809098722 /nfs/dbraw/zinc/09/87/22/809098722.db2.gz KDYKLXTYNVVMBQ-LBPRGKRZSA-N 2 2 278.362 3.135 20 0 CGADLP Cc1c[nH+]cc(Nc2ccnn2-c2cc[nH+]cc2)c1C ZINC001213528754 815299771 /nfs/dbraw/zinc/29/97/71/815299771.db2.gz ODDNXXRFWFWKOU-UHFFFAOYSA-N 2 2 265.320 3.023 20 0 CGADLP Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cc(C)[nH+]1 ZINC001176052631 809608532 /nfs/dbraw/zinc/60/85/32/809608532.db2.gz RRVLZUFAACOCSR-UHFFFAOYSA-N 2 2 264.332 3.050 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001176059849 809611902 /nfs/dbraw/zinc/61/19/02/809611902.db2.gz OENMCAOTYDKMOD-UHFFFAOYSA-N 2 2 255.365 3.320 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001176059849 809611904 /nfs/dbraw/zinc/61/19/04/809611904.db2.gz OENMCAOTYDKMOD-UHFFFAOYSA-N 2 2 255.365 3.320 20 0 CGADLP CCc1ccc[nH+]c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176223318 809650434 /nfs/dbraw/zinc/65/04/34/809650434.db2.gz COSUUEZDNXKKHG-UHFFFAOYSA-N 2 2 285.391 3.328 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC001182634955 810118384 /nfs/dbraw/zinc/11/83/84/810118384.db2.gz ULEMDSRTCYMUEF-BIVLZKPYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC001182634955 810118386 /nfs/dbraw/zinc/11/83/86/810118386.db2.gz ULEMDSRTCYMUEF-BIVLZKPYSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001182634970 810118674 /nfs/dbraw/zinc/11/86/74/810118674.db2.gz UQOSOLAUJJSPGN-RBUKOAKNSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001182634970 810118676 /nfs/dbraw/zinc/11/86/76/810118676.db2.gz UQOSOLAUJJSPGN-RBUKOAKNSA-N 2 2 286.463 3.452 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918989 810131029 /nfs/dbraw/zinc/13/10/29/810131029.db2.gz UNRYZHRRGYDTLM-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918989 810131031 /nfs/dbraw/zinc/13/10/31/810131031.db2.gz UNRYZHRRGYDTLM-RDJZCZTQSA-N 2 2 296.499 3.434 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC001184153232 810179344 /nfs/dbraw/zinc/17/93/44/810179344.db2.gz CIUPMDIXCVCXDU-QWFMPGPPSA-N 2 2 294.389 3.285 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC001184153232 810179347 /nfs/dbraw/zinc/17/93/47/810179347.db2.gz CIUPMDIXCVCXDU-QWFMPGPPSA-N 2 2 294.389 3.285 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC001197497368 811426341 /nfs/dbraw/zinc/42/63/41/811426341.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC001197497368 811426349 /nfs/dbraw/zinc/42/63/49/811426349.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC001197497368 811426356 /nfs/dbraw/zinc/42/63/56/811426356.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC001197497368 811426362 /nfs/dbraw/zinc/42/63/62/811426362.db2.gz RGTRCPQETFBREG-MSOLQXFVSA-N 2 2 272.436 3.479 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCC2)CC1)[N@H+](C)C1CC1 ZINC001200293322 811670320 /nfs/dbraw/zinc/67/03/20/811670320.db2.gz LBUSXLGKHKTAJV-ZDUSSCGKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCC2)CC1)[N@@H+](C)C1CC1 ZINC001200293322 811670325 /nfs/dbraw/zinc/67/03/25/811670325.db2.gz LBUSXLGKHKTAJV-ZDUSSCGKSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)cnc1Cl ZINC001200902955 811762565 /nfs/dbraw/zinc/76/25/65/811762565.db2.gz YTICNFVMZUVXAA-UHFFFAOYSA-N 2 2 290.798 3.030 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001202175980 812028362 /nfs/dbraw/zinc/02/83/62/812028362.db2.gz GMRCIOFOENEHMJ-MUJYYYPQSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC001202175980 812028373 /nfs/dbraw/zinc/02/83/73/812028373.db2.gz GMRCIOFOENEHMJ-MUJYYYPQSA-N 2 2 264.457 3.277 20 0 CGADLP FC(F)(F)CCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001202377647 812079926 /nfs/dbraw/zinc/07/99/26/812079926.db2.gz JZLACARVHIEUPC-UHFFFAOYSA-N 2 2 288.313 3.267 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001202444917 812097221 /nfs/dbraw/zinc/09/72/21/812097221.db2.gz ORBYJBXPHBTQKY-LBPRGKRZSA-N 2 2 288.313 3.186 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCC(F)(F)F)C1 ZINC001202444917 812097230 /nfs/dbraw/zinc/09/72/30/812097230.db2.gz ORBYJBXPHBTQKY-LBPRGKRZSA-N 2 2 288.313 3.186 20 0 CGADLP CC(C)[N@H+](Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC001203035190 812223292 /nfs/dbraw/zinc/22/32/92/812223292.db2.gz SWXSWLMXAJLOPD-UHFFFAOYSA-N 2 2 286.463 3.480 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC001203035190 812223297 /nfs/dbraw/zinc/22/32/97/812223297.db2.gz SWXSWLMXAJLOPD-UHFFFAOYSA-N 2 2 286.463 3.480 20 0 CGADLP Cc1ccsc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001204023394 812523491 /nfs/dbraw/zinc/52/34/91/812523491.db2.gz GIQJWORPDRQVIA-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1ccsc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001204023394 812523496 /nfs/dbraw/zinc/52/34/96/812523496.db2.gz GIQJWORPDRQVIA-UHFFFAOYSA-N 2 2 266.454 3.361 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001204171213 812564996 /nfs/dbraw/zinc/56/49/96/812564996.db2.gz IFUMSXLZWHCADQ-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@H]3C2)cc1 ZINC001204241796 812582799 /nfs/dbraw/zinc/58/27/99/812582799.db2.gz OHSYWUQPHXQLLJ-RTBURBONSA-N 2 2 296.414 3.152 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccoc2)C2CCCC2)CC1 ZINC001204244648 812585740 /nfs/dbraw/zinc/58/57/40/812585740.db2.gz PFXPLTAJJPXVHB-UHFFFAOYSA-N 2 2 262.397 3.118 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccoc2)C2CCCC2)CC1 ZINC001204244648 812585742 /nfs/dbraw/zinc/58/57/42/812585742.db2.gz PFXPLTAJJPXVHB-UHFFFAOYSA-N 2 2 262.397 3.118 20 0 CGADLP CCCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204308703 812607670 /nfs/dbraw/zinc/60/76/70/812607670.db2.gz IULAVKOLIMGNNI-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204308703 812607672 /nfs/dbraw/zinc/60/76/72/812607672.db2.gz IULAVKOLIMGNNI-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204801998 812739906 /nfs/dbraw/zinc/73/99/06/812739906.db2.gz ZCTLLEWDJYLBJQ-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204801998 812739914 /nfs/dbraw/zinc/73/99/14/812739914.db2.gz ZCTLLEWDJYLBJQ-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204800821 812740439 /nfs/dbraw/zinc/74/04/39/812740439.db2.gz HEKCTRZFQYPRNJ-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204800821 812740444 /nfs/dbraw/zinc/74/04/44/812740444.db2.gz HEKCTRZFQYPRNJ-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC001204877457 812759772 /nfs/dbraw/zinc/75/97/72/812759772.db2.gz JORAIRDOUBBHJJ-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC001204877457 812759777 /nfs/dbraw/zinc/75/97/77/812759777.db2.gz JORAIRDOUBBHJJ-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925435 812777680 /nfs/dbraw/zinc/77/76/80/812777680.db2.gz SLYLVXQADFIMRK-KRWDZBQOSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925435 812777686 /nfs/dbraw/zinc/77/76/86/812777686.db2.gz SLYLVXQADFIMRK-KRWDZBQOSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001204932752 812782504 /nfs/dbraw/zinc/78/25/04/812782504.db2.gz MDNVJFCLCWOCPY-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001204932752 812782507 /nfs/dbraw/zinc/78/25/07/812782507.db2.gz MDNVJFCLCWOCPY-QGZVFWFLSA-N 2 2 258.409 3.267 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204947176 812793293 /nfs/dbraw/zinc/79/32/93/812793293.db2.gz WJMQBHVMOPPXJA-LJQANCHMSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204947176 812793297 /nfs/dbraw/zinc/79/32/97/812793297.db2.gz WJMQBHVMOPPXJA-LJQANCHMSA-N 2 2 295.430 3.370 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205101355 812865365 /nfs/dbraw/zinc/86/53/65/812865365.db2.gz DEMJXKLTFUHNCI-HNNXBMFYSA-N 2 2 296.842 3.440 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205101355 812865373 /nfs/dbraw/zinc/86/53/73/812865373.db2.gz DEMJXKLTFUHNCI-HNNXBMFYSA-N 2 2 296.842 3.440 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205101759 812866863 /nfs/dbraw/zinc/86/68/63/812866863.db2.gz KSRNQCGAYAKZNH-CYBMUJFWSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205101759 812866869 /nfs/dbraw/zinc/86/68/69/812866869.db2.gz KSRNQCGAYAKZNH-CYBMUJFWSA-N 2 2 297.240 3.071 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205289193 812933039 /nfs/dbraw/zinc/93/30/39/812933039.db2.gz USLPGGXMRGZSPP-GFCCVEGCSA-N 2 2 292.370 3.470 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205289193 812933042 /nfs/dbraw/zinc/93/30/42/812933042.db2.gz USLPGGXMRGZSPP-GFCCVEGCSA-N 2 2 292.370 3.470 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205324433 812954883 /nfs/dbraw/zinc/95/48/83/812954883.db2.gz BIEZWCGAROLMDC-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205324433 812954887 /nfs/dbraw/zinc/95/48/87/812954887.db2.gz BIEZWCGAROLMDC-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815553 813092328 /nfs/dbraw/zinc/09/23/28/813092328.db2.gz HGVIHKZGCTYBFU-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815553 813092337 /nfs/dbraw/zinc/09/23/37/813092337.db2.gz HGVIHKZGCTYBFU-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827963 813098835 /nfs/dbraw/zinc/09/88/35/813098835.db2.gz IJFHJSJBFSYGQO-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001205827963 813098845 /nfs/dbraw/zinc/09/88/45/813098845.db2.gz IJFHJSJBFSYGQO-MAUKXSAKSA-N 2 2 295.430 3.308 20 0 CGADLP CC1(C)CCc2cc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)ccc2O1 ZINC001205932296 813139136 /nfs/dbraw/zinc/13/91/36/813139136.db2.gz QALKSJWJCLBHHU-MRXNPFEDSA-N 2 2 288.435 3.103 20 0 CGADLP CC1(C)CCc2cc(C[N@H+]3CCCC[C@@H]([NH3+])C3)ccc2O1 ZINC001205932296 813139138 /nfs/dbraw/zinc/13/91/38/813139138.db2.gz QALKSJWJCLBHHU-MRXNPFEDSA-N 2 2 288.435 3.103 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001206006171 813162676 /nfs/dbraw/zinc/16/26/76/813162676.db2.gz SWUPJTGJYTUOBH-SFHVURJKSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001206006171 813162679 /nfs/dbraw/zinc/16/26/79/813162679.db2.gz SWUPJTGJYTUOBH-SFHVURJKSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001206006171 813162682 /nfs/dbraw/zinc/16/26/82/813162682.db2.gz SWUPJTGJYTUOBH-SFHVURJKSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001206006171 813162686 /nfs/dbraw/zinc/16/26/86/813162686.db2.gz SWUPJTGJYTUOBH-SFHVURJKSA-N 2 2 290.451 3.413 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049493 813182298 /nfs/dbraw/zinc/18/22/98/813182298.db2.gz MTLDQBOCPLZSOX-CRAIPNDOSA-N 2 2 295.430 3.226 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049493 813182301 /nfs/dbraw/zinc/18/23/01/813182301.db2.gz MTLDQBOCPLZSOX-CRAIPNDOSA-N 2 2 295.430 3.226 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(COc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206075682 813191619 /nfs/dbraw/zinc/19/16/19/813191619.db2.gz UMQUVFQQLOJXOA-DNVCBOLYSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(COc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206075682 813191626 /nfs/dbraw/zinc/19/16/26/813191626.db2.gz UMQUVFQQLOJXOA-DNVCBOLYSA-N 2 2 296.414 3.045 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001206335328 813292456 /nfs/dbraw/zinc/29/24/56/813292456.db2.gz FBHRRGKJZBWTHL-HNNXBMFYSA-N 2 2 284.806 3.035 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001206335328 813292461 /nfs/dbraw/zinc/29/24/61/813292461.db2.gz FBHRRGKJZBWTHL-HNNXBMFYSA-N 2 2 284.806 3.035 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccsc2Cl)C1 ZINC001206566218 813355949 /nfs/dbraw/zinc/35/59/49/813355949.db2.gz YMMLTZJPDDHZEM-CYBMUJFWSA-N 2 2 272.845 3.352 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccsc2Cl)C1 ZINC001206566218 813355954 /nfs/dbraw/zinc/35/59/54/813355954.db2.gz YMMLTZJPDDHZEM-CYBMUJFWSA-N 2 2 272.845 3.352 20 0 CGADLP CC[N@H+](CCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207422196 813559584 /nfs/dbraw/zinc/55/95/84/813559584.db2.gz BZGVNPUFNZMMDW-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP CC[N@@H+](CCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC001207422196 813559587 /nfs/dbraw/zinc/55/95/87/813559587.db2.gz BZGVNPUFNZMMDW-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207595873 813606409 /nfs/dbraw/zinc/60/64/09/813606409.db2.gz IUQBQLTUPYFQSG-UHFFFAOYSA-N 2 2 278.827 3.053 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001207595873 813606415 /nfs/dbraw/zinc/60/64/15/813606415.db2.gz IUQBQLTUPYFQSG-UHFFFAOYSA-N 2 2 278.827 3.053 20 0 CGADLP c1ccc(CCCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001207609685 813613717 /nfs/dbraw/zinc/61/37/17/813613717.db2.gz CTYJECCFDCSCIU-UHFFFAOYSA-N 2 2 298.474 3.427 20 0 CGADLP c1ccc(CCCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001207609685 813613720 /nfs/dbraw/zinc/61/37/20/813613720.db2.gz CTYJECCFDCSCIU-UHFFFAOYSA-N 2 2 298.474 3.427 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(C)CCOCC1 ZINC001208078180 813688015 /nfs/dbraw/zinc/68/80/15/813688015.db2.gz KHDMWNFMKIPPRE-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1(C)CCOCC1 ZINC001208078180 813688024 /nfs/dbraw/zinc/68/80/24/813688024.db2.gz KHDMWNFMKIPPRE-UHFFFAOYSA-N 2 2 299.418 3.121 20 0 CGADLP CC[N@H+](CC[C@H](C)c1ccc(C)o1)CCn1cc[nH+]c1 ZINC001208164663 813718753 /nfs/dbraw/zinc/71/87/53/813718753.db2.gz AMWSZEGBLXVTPL-AWEZNQCLSA-N 2 2 275.396 3.300 20 0 CGADLP CC[N@@H+](CC[C@H](C)c1ccc(C)o1)CCn1cc[nH+]c1 ZINC001208164663 813718757 /nfs/dbraw/zinc/71/87/57/813718757.db2.gz AMWSZEGBLXVTPL-AWEZNQCLSA-N 2 2 275.396 3.300 20 0 CGADLP CC[N@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208176229 813727036 /nfs/dbraw/zinc/72/70/36/813727036.db2.gz PLYDPDBZPDGTGH-CVEARBPZSA-N 2 2 264.457 3.395 20 0 CGADLP CC[N@@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208176229 813727038 /nfs/dbraw/zinc/72/70/38/813727038.db2.gz PLYDPDBZPDGTGH-CVEARBPZSA-N 2 2 264.457 3.395 20 0 CGADLP CC[N@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208176231 813727862 /nfs/dbraw/zinc/72/78/62/813727862.db2.gz PLYDPDBZPDGTGH-HZPDHXFCSA-N 2 2 264.457 3.395 20 0 CGADLP CC[N@@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH+](C)CC1 ZINC001208176231 813727865 /nfs/dbraw/zinc/72/78/65/813727865.db2.gz PLYDPDBZPDGTGH-HZPDHXFCSA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)(CC[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001208670637 813791239 /nfs/dbraw/zinc/79/12/39/813791239.db2.gz YWIOYCIYJWALHA-UHFFFAOYSA-N 2 2 272.436 3.134 20 0 CGADLP CC(C)(CC[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC001208670637 813791248 /nfs/dbraw/zinc/79/12/48/813791248.db2.gz YWIOYCIYJWALHA-UHFFFAOYSA-N 2 2 272.436 3.134 20 0 CGADLP C[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(F)(F)F ZINC001208901220 813891051 /nfs/dbraw/zinc/89/10/51/813891051.db2.gz LJTKDXHWHDAGHZ-GFCCVEGCSA-N 2 2 278.362 3.135 20 0 CGADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001209733658 814123747 /nfs/dbraw/zinc/12/37/47/814123747.db2.gz HHENLLBFDATOKI-UHFFFAOYSA-N 2 2 285.366 3.013 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210496579 814490130 /nfs/dbraw/zinc/49/01/30/814490130.db2.gz ISTREMLRJQMKGE-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210496579 814490134 /nfs/dbraw/zinc/49/01/34/814490134.db2.gz ISTREMLRJQMKGE-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001211128909 814754259 /nfs/dbraw/zinc/75/42/59/814754259.db2.gz MQMVUHZZDWULID-UHFFFAOYSA-N 2 2 286.766 3.451 20 0 CGADLP CNc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc[nH+]1 ZINC001216334008 815787379 /nfs/dbraw/zinc/78/73/79/815787379.db2.gz LQNAFTYUKQJLLR-UHFFFAOYSA-N 2 2 273.727 3.168 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222283195 816394870 /nfs/dbraw/zinc/39/48/70/816394870.db2.gz UYYDHEYXXVLZNA-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222283195 816394879 /nfs/dbraw/zinc/39/48/79/816394879.db2.gz UYYDHEYXXVLZNA-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP c1cnc2cc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2c1 ZINC001222389935 816429105 /nfs/dbraw/zinc/42/91/05/816429105.db2.gz JIPMIMKTUZOECD-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2c1 ZINC001222389935 816429109 /nfs/dbraw/zinc/42/91/09/816429109.db2.gz JIPMIMKTUZOECD-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)sc1C ZINC001222434546 816444748 /nfs/dbraw/zinc/44/47/48/816444748.db2.gz JRGHHAVRBAHIMX-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)sc1C ZINC001222434546 816444755 /nfs/dbraw/zinc/44/47/55/816444755.db2.gz JRGHHAVRBAHIMX-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)s1 ZINC001222477649 816453936 /nfs/dbraw/zinc/45/39/36/816453936.db2.gz PAXVPLPLYTTXLJ-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)s1 ZINC001222477649 816453938 /nfs/dbraw/zinc/45/39/38/816453938.db2.gz PAXVPLPLYTTXLJ-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP Cc1cc(COC2CC[NH+](C(C)(C)C)CC2)cc(C)[nH+]1 ZINC001223423878 816627749 /nfs/dbraw/zinc/62/77/49/816627749.db2.gz FRNLFFKAVGWACN-UHFFFAOYSA-N 2 2 276.424 3.478 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@H]2C1 ZINC001231425764 818099055 /nfs/dbraw/zinc/09/90/55/818099055.db2.gz VXHRHJPGFBTEAZ-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1nc2ccccc2o1 ZINC001232015119 818232654 /nfs/dbraw/zinc/23/26/54/818232654.db2.gz BIDGCSHVJRIYLN-UHFFFAOYSA-N 2 2 292.342 3.336 20 0 CGADLP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1nc2ccccc2o1 ZINC001232015119 818232660 /nfs/dbraw/zinc/23/26/60/818232660.db2.gz BIDGCSHVJRIYLN-UHFFFAOYSA-N 2 2 292.342 3.336 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001232985822 818491679 /nfs/dbraw/zinc/49/16/79/818491679.db2.gz AEPMVYMWIHIWGA-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001232985822 818491682 /nfs/dbraw/zinc/49/16/82/818491682.db2.gz AEPMVYMWIHIWGA-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985659 818491754 /nfs/dbraw/zinc/49/17/54/818491754.db2.gz JPVWLOFWNXLODL-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985659 818491757 /nfs/dbraw/zinc/49/17/57/818491757.db2.gz JPVWLOFWNXLODL-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985659 818491762 /nfs/dbraw/zinc/49/17/62/818491762.db2.gz JPVWLOFWNXLODL-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001232985659 818491765 /nfs/dbraw/zinc/49/17/65/818491765.db2.gz JPVWLOFWNXLODL-ZWKOTPCHSA-N 2 2 270.420 3.090 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1O ZINC001233235098 818547734 /nfs/dbraw/zinc/54/77/34/818547734.db2.gz JQFMKLOCNOGJPB-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1O ZINC001233235098 818547741 /nfs/dbraw/zinc/54/77/41/818547741.db2.gz JQFMKLOCNOGJPB-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP COc1cc(C[N@H+](C)C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001234066209 818771117 /nfs/dbraw/zinc/77/11/17/818771117.db2.gz JAWZPUWAWOCAKI-UHFFFAOYSA-N 2 2 285.391 3.255 20 0 CGADLP COc1cc(C[N@@H+](C)C2CCCC2)ccc1-n1cc[nH+]c1 ZINC001234066209 818771120 /nfs/dbraw/zinc/77/11/20/818771120.db2.gz JAWZPUWAWOCAKI-UHFFFAOYSA-N 2 2 285.391 3.255 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@]23CC[NH2+]C3)s1 ZINC001235109654 819005177 /nfs/dbraw/zinc/00/51/77/819005177.db2.gz GXXUPBMUZVTEEB-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@]23CC[NH2+]C3)s1 ZINC001235109654 819005181 /nfs/dbraw/zinc/00/51/81/819005181.db2.gz GXXUPBMUZVTEEB-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113287 819008924 /nfs/dbraw/zinc/00/89/24/819008924.db2.gz BJQGPNNGOVRRCB-DDKKJVIOSA-N 2 2 294.483 3.358 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113287 819008929 /nfs/dbraw/zinc/00/89/29/819008929.db2.gz BJQGPNNGOVRRCB-DDKKJVIOSA-N 2 2 294.483 3.358 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)cc1O ZINC001235166759 819020701 /nfs/dbraw/zinc/02/07/01/819020701.db2.gz BBLDOCASGQUAMC-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c(C)cc1O ZINC001235166759 819020707 /nfs/dbraw/zinc/02/07/07/819020707.db2.gz BBLDOCASGQUAMC-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cn1c(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc2ccccc21 ZINC001235166772 819021533 /nfs/dbraw/zinc/02/15/33/819021533.db2.gz BHESDDBIFDNIMD-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1c(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc2ccccc21 ZINC001235166772 819021538 /nfs/dbraw/zinc/02/15/38/819021538.db2.gz BHESDDBIFDNIMD-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP c1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc2c1CCC2 ZINC001235172917 819024276 /nfs/dbraw/zinc/02/42/76/819024276.db2.gz MXXSNYASPCYPNZ-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc2c1CCC2 ZINC001235172917 819024281 /nfs/dbraw/zinc/02/42/81/819024281.db2.gz MXXSNYASPCYPNZ-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC001235240024 819044940 /nfs/dbraw/zinc/04/49/40/819044940.db2.gz IXCJVYDYSKWVPU-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)s1 ZINC001235240024 819044943 /nfs/dbraw/zinc/04/49/43/819044943.db2.gz IXCJVYDYSKWVPU-IUODEOHRSA-N 2 2 264.438 3.014 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254446 819050979 /nfs/dbraw/zinc/05/09/79/819050979.db2.gz BRRMQOGQRCVLHN-RDJZCZTQSA-N 2 2 272.436 3.168 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254446 819050986 /nfs/dbraw/zinc/05/09/86/819050986.db2.gz BRRMQOGQRCVLHN-RDJZCZTQSA-N 2 2 272.436 3.168 20 0 CGADLP CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)n1 ZINC001235261760 819055583 /nfs/dbraw/zinc/05/55/83/819055583.db2.gz AUXDHXQIZDUTTK-QGZVFWFLSA-N 2 2 297.402 3.001 20 0 CGADLP CCc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)n1 ZINC001235261760 819055589 /nfs/dbraw/zinc/05/55/89/819055589.db2.gz AUXDHXQIZDUTTK-QGZVFWFLSA-N 2 2 297.402 3.001 20 0 CGADLP Cc1ccnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC001235589176 819123829 /nfs/dbraw/zinc/12/38/29/819123829.db2.gz RGKWWRLVCGDDLT-UHFFFAOYSA-N 2 2 290.798 3.077 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001235677297 819136365 /nfs/dbraw/zinc/13/63/65/819136365.db2.gz GIJZAXWHPNRWGK-CVEARBPZSA-N 2 2 286.444 3.455 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC001235677297 819136372 /nfs/dbraw/zinc/13/63/72/819136372.db2.gz GIJZAXWHPNRWGK-CVEARBPZSA-N 2 2 286.444 3.455 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c(C)c1Cl ZINC001235715790 819150595 /nfs/dbraw/zinc/15/05/95/819150595.db2.gz WWUWOHQIJKKKEV-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c(C)c1Cl ZINC001235715790 819150597 /nfs/dbraw/zinc/15/05/97/819150597.db2.gz WWUWOHQIJKKKEV-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235727380 819155390 /nfs/dbraw/zinc/15/53/90/819155390.db2.gz ZZMNOQIIKJMSOV-HNNXBMFYSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC001235727380 819155394 /nfs/dbraw/zinc/15/53/94/819155394.db2.gz ZZMNOQIIKJMSOV-HNNXBMFYSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc(C)c1OC(C)C ZINC001235891272 819199851 /nfs/dbraw/zinc/19/98/51/819199851.db2.gz HQRXHESPZDUKSS-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc(C)c1OC(C)C ZINC001235891272 819199853 /nfs/dbraw/zinc/19/98/53/819199853.db2.gz HQRXHESPZDUKSS-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892231 819202072 /nfs/dbraw/zinc/20/20/72/819202072.db2.gz MZQLSPSNHBFAJG-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892231 819202075 /nfs/dbraw/zinc/20/20/75/819202075.db2.gz MZQLSPSNHBFAJG-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001235925524 819224279 /nfs/dbraw/zinc/22/42/79/819224279.db2.gz SCNSODZWVXYWGA-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC001235925524 819224286 /nfs/dbraw/zinc/22/42/86/819224286.db2.gz SCNSODZWVXYWGA-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001235949142 819237087 /nfs/dbraw/zinc/23/70/87/819237087.db2.gz XYJFNMZBHBFVAM-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC001235949142 819237091 /nfs/dbraw/zinc/23/70/91/819237091.db2.gz XYJFNMZBHBFVAM-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947742 819237847 /nfs/dbraw/zinc/23/78/47/819237847.db2.gz PNCMWICKGGKQSZ-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+](CC[NH3+])C(C)C ZINC001235947742 819237852 /nfs/dbraw/zinc/23/78/52/819237852.db2.gz PNCMWICKGGKQSZ-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+](CC[NH3+])C(C)C)cc2)o1 ZINC001235948153 819238149 /nfs/dbraw/zinc/23/81/49/819238149.db2.gz VHXYKQBWUZGQFU-UHFFFAOYSA-N 2 2 272.392 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+](CC[NH3+])C(C)C)cc2)o1 ZINC001235948153 819238153 /nfs/dbraw/zinc/23/81/53/819238153.db2.gz VHXYKQBWUZGQFU-UHFFFAOYSA-N 2 2 272.392 3.424 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949459 819240379 /nfs/dbraw/zinc/24/03/79/819240379.db2.gz LRIQQQRXZLAZRF-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949459 819240386 /nfs/dbraw/zinc/24/03/86/819240386.db2.gz LRIQQQRXZLAZRF-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1F ZINC001235960081 819247275 /nfs/dbraw/zinc/24/72/75/819247275.db2.gz VUSVJHKLTCZJCA-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1F ZINC001235960081 819247281 /nfs/dbraw/zinc/24/72/81/819247281.db2.gz VUSVJHKLTCZJCA-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990619 819263077 /nfs/dbraw/zinc/26/30/77/819263077.db2.gz MXWJMXQHCVOFPQ-HIFRSBDPSA-N 2 2 290.457 3.400 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990619 819263082 /nfs/dbraw/zinc/26/30/82/819263082.db2.gz MXWJMXQHCVOFPQ-HIFRSBDPSA-N 2 2 290.457 3.400 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236009023 819272301 /nfs/dbraw/zinc/27/23/01/819272301.db2.gz KNOLGGLRPZGPDQ-CYBMUJFWSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCC[NH2+]C1 ZINC001236009023 819272309 /nfs/dbraw/zinc/27/23/09/819272309.db2.gz KNOLGGLRPZGPDQ-CYBMUJFWSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007965 819273082 /nfs/dbraw/zinc/27/30/82/819273082.db2.gz OOGJFVDTWCTZAY-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007965 819273086 /nfs/dbraw/zinc/27/30/86/819273086.db2.gz OOGJFVDTWCTZAY-INIZCTEOSA-N 2 2 290.451 3.438 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2cccs2)C[C@@H]1[NH3+] ZINC001236093890 819312996 /nfs/dbraw/zinc/31/29/96/819312996.db2.gz NKXYXVBNUUJNHE-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2cccs2)C[C@@H]1[NH3+] ZINC001236093890 819313003 /nfs/dbraw/zinc/31/30/03/819313003.db2.gz NKXYXVBNUUJNHE-DOMZBBRYSA-N 2 2 272.417 3.194 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc2c(c1)c1ccccc1n2C ZINC001236144701 819344771 /nfs/dbraw/zinc/34/47/71/819344771.db2.gz UHIVPFUUCZOBOF-UHFFFAOYSA-N 2 2 281.403 3.112 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc2c(c1)c1ccccc1n2C ZINC001236144701 819344778 /nfs/dbraw/zinc/34/47/78/819344778.db2.gz UHIVPFUUCZOBOF-UHFFFAOYSA-N 2 2 281.403 3.112 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2cccs2)cc1 ZINC001236144096 819345432 /nfs/dbraw/zinc/34/54/32/819345432.db2.gz PLOMMIWCIBAJDL-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2cccs2)cc1 ZINC001236144096 819345438 /nfs/dbraw/zinc/34/54/38/819345438.db2.gz PLOMMIWCIBAJDL-UHFFFAOYSA-N 2 2 260.406 3.196 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(C)cc2)cc1 ZINC001236144920 819345541 /nfs/dbraw/zinc/34/55/41/819345541.db2.gz WJLALIZUZQMXNN-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(C)cc2)cc1 ZINC001236144920 819345548 /nfs/dbraw/zinc/34/55/48/819345548.db2.gz WJLALIZUZQMXNN-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC(C)Oc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208572 819370923 /nfs/dbraw/zinc/37/09/23/819370923.db2.gz SNSGPMHRBZJKRM-KRWDZBQOSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208572 819370926 /nfs/dbraw/zinc/37/09/26/819370926.db2.gz SNSGPMHRBZJKRM-KRWDZBQOSA-N 2 2 276.424 3.048 20 0 CGADLP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213231 819375412 /nfs/dbraw/zinc/37/54/12/819375412.db2.gz AOJMQGXKDLWYCT-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213231 819375419 /nfs/dbraw/zinc/37/54/19/819375419.db2.gz AOJMQGXKDLWYCT-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP Cc1cc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237000 819396253 /nfs/dbraw/zinc/39/62/53/819396253.db2.gz NYTJLAWCDGXYOF-QGZVFWFLSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237000 819396263 /nfs/dbraw/zinc/39/62/63/819396263.db2.gz NYTJLAWCDGXYOF-QGZVFWFLSA-N 2 2 272.436 3.328 20 0 CGADLP c1ccn(-c2ccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001236239548 819399220 /nfs/dbraw/zinc/39/92/20/819399220.db2.gz HZGKBGINMPRKGJ-IBGZPJMESA-N 2 2 295.430 3.194 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001236239548 819399227 /nfs/dbraw/zinc/39/92/27/819399227.db2.gz HZGKBGINMPRKGJ-IBGZPJMESA-N 2 2 295.430 3.194 20 0 CGADLP c1cc2c(c(-c3cc[nH+]c(N4CCCCC4)c3)c1)CC[NH2+]C2 ZINC001236349167 819431495 /nfs/dbraw/zinc/43/14/95/819431495.db2.gz VOYMUJWQOMTKMJ-UHFFFAOYSA-N 2 2 293.414 3.385 20 0 CGADLP Fc1cccc(C[N@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236395946 819449902 /nfs/dbraw/zinc/44/99/02/819449902.db2.gz UZFCHHSBNNJOGU-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1cccc(C[N@@H+](CC2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236395946 819449905 /nfs/dbraw/zinc/44/99/05/819449905.db2.gz UZFCHHSBNNJOGU-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417362 819463572 /nfs/dbraw/zinc/46/35/72/819463572.db2.gz YRLCJUCIAIXBPU-SMDDNHRTSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417362 819463576 /nfs/dbraw/zinc/46/35/76/819463576.db2.gz YRLCJUCIAIXBPU-SMDDNHRTSA-N 2 2 286.341 3.060 20 0 CGADLP CC(C)[N@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467800 819488369 /nfs/dbraw/zinc/48/83/69/819488369.db2.gz JQFNZRKHGKEKEM-MRXNPFEDSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236467800 819488373 /nfs/dbraw/zinc/48/83/73/819488373.db2.gz JQFNZRKHGKEKEM-MRXNPFEDSA-N 2 2 272.392 3.395 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cs1 ZINC001236471130 819491578 /nfs/dbraw/zinc/49/15/78/819491578.db2.gz VUXGJSMNWQZRKR-CQSZACIVSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cs1 ZINC001236471130 819491582 /nfs/dbraw/zinc/49/15/82/819491582.db2.gz VUXGJSMNWQZRKR-CQSZACIVSA-N 2 2 252.427 3.019 20 0 CGADLP COc1c(C)cccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236472838 819493063 /nfs/dbraw/zinc/49/30/63/819493063.db2.gz AUWXUMAYNNTERG-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP COc1c(C)cccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236472838 819493069 /nfs/dbraw/zinc/49/30/69/819493069.db2.gz AUWXUMAYNNTERG-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP Cc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(F)c1F ZINC001236477379 819495131 /nfs/dbraw/zinc/49/51/31/819495131.db2.gz CIFAXDBHXOUDCA-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc(F)c1F ZINC001236477379 819495135 /nfs/dbraw/zinc/49/51/35/819495135.db2.gz CIFAXDBHXOUDCA-OAHLLOKOSA-N 2 2 296.405 3.483 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC001236528747 819520474 /nfs/dbraw/zinc/52/04/74/819520474.db2.gz IRHUBHPYGNWCQS-AWEZNQCLSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC001236528747 819520480 /nfs/dbraw/zinc/52/04/80/819520480.db2.gz IRHUBHPYGNWCQS-AWEZNQCLSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236530698 819522462 /nfs/dbraw/zinc/52/24/62/819522462.db2.gz TUYFCZGGICYOLL-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(OC(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001236530698 819522467 /nfs/dbraw/zinc/52/24/67/819522467.db2.gz TUYFCZGGICYOLL-INIZCTEOSA-N 2 2 290.451 3.436 20 0 CGADLP CCC(CC)C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646652 819560008 /nfs/dbraw/zinc/56/00/08/819560008.db2.gz HHLKMWSVIDNLSK-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CCC(CC)C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646652 819560014 /nfs/dbraw/zinc/56/00/14/819560014.db2.gz HHLKMWSVIDNLSK-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CCC(CC)C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646651 819560185 /nfs/dbraw/zinc/56/01/85/819560185.db2.gz HHLKMWSVIDNLSK-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CCC(CC)C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646651 819560188 /nfs/dbraw/zinc/56/01/88/819560188.db2.gz HHLKMWSVIDNLSK-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CC(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C[C@@H](C)O1 ZINC001236648334 819560681 /nfs/dbraw/zinc/56/06/81/819560681.db2.gz PSHUFHBZRGRZKE-RKVPGOIHSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1CC(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C[C@@H](C)O1 ZINC001236648334 819560683 /nfs/dbraw/zinc/56/06/83/819560683.db2.gz PSHUFHBZRGRZKE-RKVPGOIHSA-N 2 2 294.483 3.187 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Oc2cccnc2)cc1 ZINC001236883918 819630577 /nfs/dbraw/zinc/63/05/77/819630577.db2.gz HXIBOMMHKVAPGZ-HNNXBMFYSA-N 2 2 285.391 3.043 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Oc2cccnc2)cc1 ZINC001236883918 819630580 /nfs/dbraw/zinc/63/05/80/819630580.db2.gz HXIBOMMHKVAPGZ-HNNXBMFYSA-N 2 2 285.391 3.043 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106780 819668236 /nfs/dbraw/zinc/66/82/36/819668236.db2.gz JGWPQBXFNPWNSH-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106780 819668238 /nfs/dbraw/zinc/66/82/38/819668238.db2.gz JGWPQBXFNPWNSH-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106780 819668243 /nfs/dbraw/zinc/66/82/43/819668243.db2.gz JGWPQBXFNPWNSH-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]21 ZINC001237106780 819668244 /nfs/dbraw/zinc/66/82/44/819668244.db2.gz JGWPQBXFNPWNSH-OALUTQOASA-N 2 2 284.447 3.480 20 0 CGADLP COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237153689 819681856 /nfs/dbraw/zinc/68/18/56/819681856.db2.gz GTTHWBBDLMKPPP-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001237153689 819681857 /nfs/dbraw/zinc/68/18/57/819681857.db2.gz GTTHWBBDLMKPPP-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001237203675 819697591 /nfs/dbraw/zinc/69/75/91/819697591.db2.gz JZYWPWBREZVDDE-OCCSQVGLSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1cccs1 ZINC001237203675 819697595 /nfs/dbraw/zinc/69/75/95/819697595.db2.gz JZYWPWBREZVDDE-OCCSQVGLSA-N 2 2 272.417 3.337 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237411584 819746489 /nfs/dbraw/zinc/74/64/89/819746489.db2.gz GXSOBIINYAEMLN-XJKSGUPXSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237411584 819746496 /nfs/dbraw/zinc/74/64/96/819746496.db2.gz GXSOBIINYAEMLN-XJKSGUPXSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237416400 819749169 /nfs/dbraw/zinc/74/91/69/819749169.db2.gz PVXMNLVWGVSVJU-UKRRQHHQSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1Cl ZINC001237416400 819749173 /nfs/dbraw/zinc/74/91/73/819749173.db2.gz PVXMNLVWGVSVJU-UKRRQHHQSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c12 ZINC001237636821 819795910 /nfs/dbraw/zinc/79/59/10/819795910.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c12 ZINC001237636821 819795912 /nfs/dbraw/zinc/79/59/12/819795912.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c12 ZINC001237636821 819795914 /nfs/dbraw/zinc/79/59/14/819795914.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)c12 ZINC001237636821 819795917 /nfs/dbraw/zinc/79/59/17/819795917.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 2 2 295.430 3.069 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(Cl)c(C)c3)C[C@H]2C1 ZINC001238094076 819932040 /nfs/dbraw/zinc/93/20/40/819932040.db2.gz VIHWVDLEMOERBK-HZPDHXFCSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239823425 820638961 /nfs/dbraw/zinc/63/89/61/820638961.db2.gz QGYZKNDXOCUIJJ-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239823425 820638970 /nfs/dbraw/zinc/63/89/70/820638970.db2.gz QGYZKNDXOCUIJJ-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239966307 820745853 /nfs/dbraw/zinc/74/58/53/820745853.db2.gz XJWZCDXGLJPKAW-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239966307 820745857 /nfs/dbraw/zinc/74/58/57/820745857.db2.gz XJWZCDXGLJPKAW-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP c1cn2cc(-c3cnccc3C[NH+]3CCCCC3)ccc2[nH+]1 ZINC001240221024 820897045 /nfs/dbraw/zinc/89/70/45/820897045.db2.gz DKXAOSSQFAGHBH-UHFFFAOYSA-N 2 2 292.386 3.382 20 0 CGADLP Cc1sccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240501471 821098142 /nfs/dbraw/zinc/09/81/42/821098142.db2.gz BVGSWVOMOOIYGE-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1sccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240501471 821098152 /nfs/dbraw/zinc/09/81/52/821098152.db2.gz BVGSWVOMOOIYGE-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP c1cc2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2[nH]1 ZINC001240798046 821342193 /nfs/dbraw/zinc/34/21/93/821342193.db2.gz SXKZUARGFFDJJO-UHFFFAOYSA-N 2 2 288.354 3.169 20 0 CGADLP Cc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)c[nH+]c1N ZINC001241505419 821905293 /nfs/dbraw/zinc/90/52/93/821905293.db2.gz SRDPGSHLMKYTKA-UHFFFAOYSA-N 2 2 279.387 3.262 20 0 CGADLP Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)c[nH+]c1N ZINC001241505419 821905300 /nfs/dbraw/zinc/90/53/00/821905300.db2.gz SRDPGSHLMKYTKA-UHFFFAOYSA-N 2 2 279.387 3.262 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC001241915418 822215218 /nfs/dbraw/zinc/21/52/18/822215218.db2.gz WABCIQPSQVQWQX-UHFFFAOYSA-N 2 2 263.344 3.213 20 0 CGADLP Cc1cc2[nH+]ccn2cc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242150094 822895369 /nfs/dbraw/zinc/89/53/69/822895369.db2.gz GIIMLCWDSHBJLC-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001342096855 936459303 /nfs/dbraw/zinc/45/93/03/936459303.db2.gz CTUXMZWBKADLTR-CYBMUJFWSA-N 2 2 298.390 3.341 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCCC(F)(F)F ZINC001352052050 937033997 /nfs/dbraw/zinc/03/39/97/937033997.db2.gz DMWBMVLHSBPTTA-LLVKDONJSA-N 2 2 266.351 3.039 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCCC(F)(F)F ZINC001352052050 937034000 /nfs/dbraw/zinc/03/40/00/937034000.db2.gz DMWBMVLHSBPTTA-LLVKDONJSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1COCC1(C)C)c1ccccc1 ZINC001353583383 937070577 /nfs/dbraw/zinc/07/05/77/937070577.db2.gz FYDVKXWVITYGGF-HOCLYGCPSA-N 2 2 290.451 3.130 20 0 CGADLP CCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC001461267216 937573664 /nfs/dbraw/zinc/57/36/64/937573664.db2.gz JGZQCFCYGRPIST-UHFFFAOYSA-N 2 2 261.394 3.214 20 0 CGADLP COC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCCC1 ZINC001461697473 937592592 /nfs/dbraw/zinc/59/25/92/937592592.db2.gz LHRSJDCSBYFZAW-KRWDZBQOSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCCC1 ZINC001461697473 937592595 /nfs/dbraw/zinc/59/25/95/937592595.db2.gz LHRSJDCSBYFZAW-KRWDZBQOSA-N 2 2 294.483 3.332 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccn2C(F)F)CC1 ZINC001461946890 937608299 /nfs/dbraw/zinc/60/82/99/937608299.db2.gz VGIZCBUNPAJUJI-UHFFFAOYSA-N 2 2 285.382 3.189 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccn2C(F)F)CC1 ZINC001461946890 937608300 /nfs/dbraw/zinc/60/83/00/937608300.db2.gz VGIZCBUNPAJUJI-UHFFFAOYSA-N 2 2 285.382 3.189 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321730 933094855 /nfs/dbraw/zinc/09/48/55/933094855.db2.gz FYECQRPLDRVDDF-KUHUBIRLSA-N 2 2 280.415 3.412 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC001308321730 933094862 /nfs/dbraw/zinc/09/48/62/933094862.db2.gz FYECQRPLDRVDDF-KUHUBIRLSA-N 2 2 280.415 3.412 20 0 CGADLP C[NH+](C)CC1([NH2+]C[C@H]2CCCC(C)(C)C2)CCC1 ZINC001308386965 933105176 /nfs/dbraw/zinc/10/51/76/933105176.db2.gz WPMLPSOKHPCPPM-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP CCc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001308483591 933117836 /nfs/dbraw/zinc/11/78/36/933117836.db2.gz AIPFSMSASIAURL-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001308483591 933117838 /nfs/dbraw/zinc/11/78/38/933117838.db2.gz AIPFSMSASIAURL-GOSISDBHSA-N 2 2 272.436 3.356 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308544778 933128217 /nfs/dbraw/zinc/12/82/17/933128217.db2.gz VPSYRNQLFBIULI-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308544778 933128222 /nfs/dbraw/zinc/12/82/22/933128222.db2.gz VPSYRNQLFBIULI-INIZCTEOSA-N 2 2 260.425 3.384 20 0 CGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC001308862972 933191630 /nfs/dbraw/zinc/19/16/30/933191630.db2.gz BQMRDTXYAGKQFH-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CCCC1 ZINC001308862972 933191633 /nfs/dbraw/zinc/19/16/33/933191633.db2.gz BQMRDTXYAGKQFH-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)OC ZINC001308908504 933202289 /nfs/dbraw/zinc/20/22/89/933202289.db2.gz WWZYOTRJBPHBKY-IAGOWNOFSA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)OC ZINC001308908504 933202293 /nfs/dbraw/zinc/20/22/93/933202293.db2.gz WWZYOTRJBPHBKY-IAGOWNOFSA-N 2 2 282.472 3.188 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308967630 933215995 /nfs/dbraw/zinc/21/59/95/933215995.db2.gz SPEBKTSLLKPMAR-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308967630 933216000 /nfs/dbraw/zinc/21/60/00/933216000.db2.gz SPEBKTSLLKPMAR-CZUORRHYSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/C(C)(C)C ZINC001318554064 933744723 /nfs/dbraw/zinc/74/47/23/933744723.db2.gz FQTWVPBTQNCTBH-FNORWQNLSA-N 2 2 284.363 3.117 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC001319498708 933885260 /nfs/dbraw/zinc/88/52/60/933885260.db2.gz AVIJDGHRWZZYHM-XTCQQWIJSA-N 2 2 296.374 3.261 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C/C=C/Cl)[nH+]1 ZINC001324297890 934482595 /nfs/dbraw/zinc/48/25/95/934482595.db2.gz LNAGRAKIMTVFCD-GBVBUYCNSA-N 2 2 265.788 3.019 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C/C=C/Cl)[nH+]1 ZINC001324297890 934482598 /nfs/dbraw/zinc/48/25/98/934482598.db2.gz LNAGRAKIMTVFCD-GBVBUYCNSA-N 2 2 265.788 3.019 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366017 934492833 /nfs/dbraw/zinc/49/28/33/934492833.db2.gz UUIMIMOTEHAWJB-GOEBONIOSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366017 934492818 /nfs/dbraw/zinc/49/28/18/934492818.db2.gz UUIMIMOTEHAWJB-GOEBONIOSA-N 2 2 275.440 3.128 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366017 934492823 /nfs/dbraw/zinc/49/28/23/934492823.db2.gz UUIMIMOTEHAWJB-GOEBONIOSA-N 2 2 275.440 3.128 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C2CC2)C[C@@H]1C ZINC001324366017 934492828 /nfs/dbraw/zinc/49/28/28/934492828.db2.gz UUIMIMOTEHAWJB-GOEBONIOSA-N 2 2 275.440 3.128 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001473383027 937803681 /nfs/dbraw/zinc/80/36/81/937803681.db2.gz CADGPLSBYFPJKS-FPCVCCKLSA-N 2 2 252.446 3.133 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC001325321000 934903766 /nfs/dbraw/zinc/90/37/66/934903766.db2.gz RYPMNNRNXMGCSZ-VIFPVBQESA-N 2 2 292.757 3.029 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC001332691596 935482021 /nfs/dbraw/zinc/48/20/21/935482021.db2.gz NTJUYDAXSUCCQE-YCVPZWQRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2cccc(F)c2)CC[N@H+]1C ZINC001332691596 935482024 /nfs/dbraw/zinc/48/20/24/935482024.db2.gz NTJUYDAXSUCCQE-YCVPZWQRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2cccc(F)c2)CC[NH+]1C ZINC001332691596 935482028 /nfs/dbraw/zinc/48/20/28/935482028.db2.gz NTJUYDAXSUCCQE-YCVPZWQRSA-N 2 2 276.399 3.253 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2cccc(F)c2)CC[NH+]1C ZINC001332691596 935482031 /nfs/dbraw/zinc/48/20/31/935482031.db2.gz NTJUYDAXSUCCQE-YCVPZWQRSA-N 2 2 276.399 3.253 20 0 CGADLP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001335551351 936152981 /nfs/dbraw/zinc/15/29/81/936152981.db2.gz YHIICKZWULGYSS-CYBMUJFWSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001335551351 936152982 /nfs/dbraw/zinc/15/29/82/936152982.db2.gz YHIICKZWULGYSS-CYBMUJFWSA-N 2 2 278.362 3.326 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001473770494 937821154 /nfs/dbraw/zinc/82/11/54/937821154.db2.gz ZITSBVCIXCGJAT-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC001473770494 937821155 /nfs/dbraw/zinc/82/11/55/937821155.db2.gz ZITSBVCIXCGJAT-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001473770494 937821156 /nfs/dbraw/zinc/82/11/56/937821156.db2.gz ZITSBVCIXCGJAT-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[C@H](C)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001473770494 937821157 /nfs/dbraw/zinc/82/11/57/937821157.db2.gz ZITSBVCIXCGJAT-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001473768291 937821215 /nfs/dbraw/zinc/82/12/15/937821215.db2.gz ADPYDXQFLNTNPE-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC001473768291 937821217 /nfs/dbraw/zinc/82/12/17/937821217.db2.gz ADPYDXQFLNTNPE-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001473768291 937821218 /nfs/dbraw/zinc/82/12/18/937821218.db2.gz ADPYDXQFLNTNPE-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001473768291 937821220 /nfs/dbraw/zinc/82/12/20/937821220.db2.gz ADPYDXQFLNTNPE-XHSDSOJGSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001473769803 937821263 /nfs/dbraw/zinc/82/12/63/937821263.db2.gz QGUZWKTWIJWUIW-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC001473769803 937821265 /nfs/dbraw/zinc/82/12/65/937821265.db2.gz QGUZWKTWIJWUIW-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001473769803 937821267 /nfs/dbraw/zinc/82/12/67/937821267.db2.gz QGUZWKTWIJWUIW-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001473769803 937821269 /nfs/dbraw/zinc/82/12/69/937821269.db2.gz QGUZWKTWIJWUIW-WCXIOVBPSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001473769801 937821305 /nfs/dbraw/zinc/82/13/05/937821305.db2.gz QGUZWKTWIJWUIW-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC001473769801 937821308 /nfs/dbraw/zinc/82/13/08/937821308.db2.gz QGUZWKTWIJWUIW-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001473769801 937821310 /nfs/dbraw/zinc/82/13/10/937821310.db2.gz QGUZWKTWIJWUIW-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001473769801 937821312 /nfs/dbraw/zinc/82/13/12/937821312.db2.gz QGUZWKTWIJWUIW-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001473894939 937828081 /nfs/dbraw/zinc/82/80/81/937828081.db2.gz VSEKUHZRKDPRCW-KRWDZBQOSA-N 2 2 299.393 3.426 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC001473915409 937829999 /nfs/dbraw/zinc/82/99/99/937829999.db2.gz WSDZZCBIRCDKCW-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC001473996946 937834568 /nfs/dbraw/zinc/83/45/68/937834568.db2.gz GMVRWKNDVNDOFZ-HLLBOEOZSA-N 2 2 290.451 3.273 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001474623318 937871316 /nfs/dbraw/zinc/87/13/16/937871316.db2.gz NKXLUFKPRHUIDL-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001474623318 937871318 /nfs/dbraw/zinc/87/13/18/937871318.db2.gz NKXLUFKPRHUIDL-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641741 937872399 /nfs/dbraw/zinc/87/23/99/937872399.db2.gz HGSLLSRYCIOSQM-ROUUACIJSA-N 2 2 274.452 3.390 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2ccc(C)cc2)C1 ZINC001474641741 937872400 /nfs/dbraw/zinc/87/24/00/937872400.db2.gz HGSLLSRYCIOSQM-ROUUACIJSA-N 2 2 274.452 3.390 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC001551378368 938180561 /nfs/dbraw/zinc/18/05/61/938180561.db2.gz OZLHHGZKQCBNEY-OFQRWUPVSA-N 2 2 272.417 3.414 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001552769906 938194264 /nfs/dbraw/zinc/19/42/64/938194264.db2.gz DBVUUXYGVAAUNZ-UHFFFAOYSA-N 2 2 288.391 3.049 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001552769906 938194265 /nfs/dbraw/zinc/19/42/65/938194265.db2.gz DBVUUXYGVAAUNZ-UHFFFAOYSA-N 2 2 288.391 3.049 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001559204865 938222140 /nfs/dbraw/zinc/22/21/40/938222140.db2.gz WDGJKYFGYHJUKS-ZDUSSCGKSA-N 2 2 278.444 3.134 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001559204865 938222141 /nfs/dbraw/zinc/22/21/41/938222141.db2.gz WDGJKYFGYHJUKS-ZDUSSCGKSA-N 2 2 278.444 3.134 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001560044098 938242623 /nfs/dbraw/zinc/24/26/23/938242623.db2.gz UMPRZOSKLVDUTH-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001560044098 938242624 /nfs/dbraw/zinc/24/26/24/938242624.db2.gz UMPRZOSKLVDUTH-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044098 938242625 /nfs/dbraw/zinc/24/26/25/938242625.db2.gz UMPRZOSKLVDUTH-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044098 938242626 /nfs/dbraw/zinc/24/26/26/938242626.db2.gz UMPRZOSKLVDUTH-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560266077 938250069 /nfs/dbraw/zinc/25/00/69/938250069.db2.gz OXAMXPCQWANMJI-APWZRJJASA-N 2 2 286.463 3.256 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001560266077 938250070 /nfs/dbraw/zinc/25/00/70/938250070.db2.gz OXAMXPCQWANMJI-APWZRJJASA-N 2 2 286.463 3.256 20 0 CGADLP C[C@@H](C[NH2+]Cc1cscc1Cl)C[NH+]1CCCC1 ZINC001560275127 938250593 /nfs/dbraw/zinc/25/05/93/938250593.db2.gz YZSLOKRCJXRHBF-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC001560326604 938253121 /nfs/dbraw/zinc/25/31/21/938253121.db2.gz FVLXVCXVXQABOB-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC001560326604 938253122 /nfs/dbraw/zinc/25/31/22/938253122.db2.gz FVLXVCXVXQABOB-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP c1coc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001560569312 938263269 /nfs/dbraw/zinc/26/32/69/938263269.db2.gz RIUBUZMKXDQMKZ-INIZCTEOSA-N 2 2 267.332 3.007 20 0 CGADLP c1cn(-c2cccc(NC3CC[NH+](CC4CC4)CC3)c2)c[nH+]1 ZINC001560703136 938271373 /nfs/dbraw/zinc/27/13/73/938271373.db2.gz BWVVXSCUYOWFEU-UHFFFAOYSA-N 2 2 296.418 3.159 20 0 CGADLP C[NH+](C)C1(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CCC1 ZINC001560764155 938274821 /nfs/dbraw/zinc/27/48/21/938274821.db2.gz SUTIXQQREKWSTJ-IAGOWNOFSA-N 2 2 272.436 3.254 20 0 CGADLP CC(C)(C)SCCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001575261286 962356717 /nfs/dbraw/zinc/35/67/17/962356717.db2.gz WNAZGZMGLOYTOD-JKSUJKDBSA-N 2 2 292.492 3.335 20 0 CGADLP CC(C)(C)SCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001575261286 962356734 /nfs/dbraw/zinc/35/67/34/962356734.db2.gz WNAZGZMGLOYTOD-JKSUJKDBSA-N 2 2 292.492 3.335 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[NH2+]1 ZINC001576670368 962482754 /nfs/dbraw/zinc/48/27/54/962482754.db2.gz HDDDNUMVSZCNDH-ICUOPCATSA-N 2 2 282.790 3.065 20 0 CGADLP CC[NH2+]C1CC[NH+](CCO[C@@H](CC)c2ccccc2)CC1 ZINC001577821374 962569914 /nfs/dbraw/zinc/56/99/14/962569914.db2.gz LMNKIGDALYKVKA-SFHVURJKSA-N 2 2 290.451 3.228 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCC12CC2 ZINC001578275139 962585410 /nfs/dbraw/zinc/58/54/10/962585410.db2.gz AUIFFECGJXKGDF-CVEARBPZSA-N 2 2 258.409 3.171 20 0 CGADLP COCC[C@@H]([NH3+])C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC001579000241 962601254 /nfs/dbraw/zinc/60/12/54/962601254.db2.gz QXDUCKNIFRFTLL-QGZVFWFLSA-N 2 2 290.451 3.138 20 0 CGADLP COCC[C@@H]([NH3+])C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC001579000241 962601264 /nfs/dbraw/zinc/60/12/64/962601264.db2.gz QXDUCKNIFRFTLL-QGZVFWFLSA-N 2 2 290.451 3.138 20 0 CGADLP Cc1cc(N[C@@H]2CC[C@H]3[NH2+]CCC[C@H]3C2)c[nH+]c1C ZINC001579635315 962645294 /nfs/dbraw/zinc/64/52/94/962645294.db2.gz DGUQEZBUOZTERQ-SQWLQELKSA-N 2 2 259.397 3.031 20 0 CGADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC001579677756 962653080 /nfs/dbraw/zinc/65/30/80/962653080.db2.gz BQAOJUJYLWZARH-KRWDZBQOSA-N 2 2 290.476 3.227 20 0 CGADLP Cc1ccc([C@@H]2CSCC[N@H+]2CCC[NH2+]C2CC2)cc1 ZINC001579677756 962653091 /nfs/dbraw/zinc/65/30/91/962653091.db2.gz BQAOJUJYLWZARH-KRWDZBQOSA-N 2 2 290.476 3.227 20 0 CGADLP c1c(CNc2c[nH+]cc3c2CCCC3)sc2c1C[NH2+]CC2 ZINC001580887648 962742534 /nfs/dbraw/zinc/74/25/34/962742534.db2.gz BQBGNMUQHRWPJX-UHFFFAOYSA-N 2 2 299.443 3.280 20 0 CGADLP Clc1cncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000621260296 349484836 /nfs/dbraw/zinc/48/48/36/349484836.db2.gz ZVPMTRCSADTIHK-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000621260296 349484838 /nfs/dbraw/zinc/48/48/38/349484838.db2.gz ZVPMTRCSADTIHK-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP C[C@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337431429 214079346 /nfs/dbraw/zinc/07/93/46/214079346.db2.gz FUGLJCQWWKIUJE-XJKSGUPXSA-N 2 2 289.810 3.452 20 0 CGADLP CCCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000621330199 349497983 /nfs/dbraw/zinc/49/79/83/349497983.db2.gz BIUJXHOHUOPRBQ-UHFFFAOYSA-N 2 2 277.437 3.467 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C3CC3)C3CCC3)[nH+]c12 ZINC000651241177 398221412 /nfs/dbraw/zinc/22/14/12/398221412.db2.gz RXALNMLYJGWUHP-KRWDZBQOSA-N 2 2 283.419 3.354 20 0 CGADLP Cc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000124780332 187152755 /nfs/dbraw/zinc/15/27/55/187152755.db2.gz MGDLFVSRWQNRKP-UHFFFAOYSA-N 2 2 269.392 3.071 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)[nH]1 ZINC000651620644 398259231 /nfs/dbraw/zinc/25/92/31/398259231.db2.gz LNWRIRWXGZAUIV-MRXNPFEDSA-N 2 2 281.403 3.278 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)[nH]1 ZINC000651620644 398259234 /nfs/dbraw/zinc/25/92/34/398259234.db2.gz LNWRIRWXGZAUIV-MRXNPFEDSA-N 2 2 281.403 3.278 20 0 CGADLP C[NH+](C)CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651666738 398264625 /nfs/dbraw/zinc/26/46/25/398264625.db2.gz MOMPHIPTMIIEIL-LBPRGKRZSA-N 2 2 270.779 3.008 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000621727991 349569386 /nfs/dbraw/zinc/56/93/86/349569386.db2.gz YRZHPXTVKNFNGK-ZDUSSCGKSA-N 2 2 289.448 3.424 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000621727991 349569390 /nfs/dbraw/zinc/56/93/90/349569390.db2.gz YRZHPXTVKNFNGK-ZDUSSCGKSA-N 2 2 289.448 3.424 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782926 349586615 /nfs/dbraw/zinc/58/66/15/349586615.db2.gz UZDXZVFWXDQVHY-ZLDLUXBVSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782926 349586620 /nfs/dbraw/zinc/58/66/20/349586620.db2.gz UZDXZVFWXDQVHY-ZLDLUXBVSA-N 2 2 264.800 3.214 20 0 CGADLP CSCC1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000294969325 199275269 /nfs/dbraw/zinc/27/52/69/199275269.db2.gz FJJNQNYLPDAXKR-UHFFFAOYSA-N 2 2 293.480 3.395 20 0 CGADLP CCN(CCC[NH+](CC)CC)c1cc[nH+]c(C(C)C)n1 ZINC000350724454 219052547 /nfs/dbraw/zinc/05/25/47/219052547.db2.gz KKUZVDHLNBOGSY-UHFFFAOYSA-N 2 2 278.444 3.158 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1ccco1)C1CCCCC1 ZINC000651909738 398304416 /nfs/dbraw/zinc/30/44/16/398304416.db2.gz VQAWIAAAITVBOG-UHFFFAOYSA-N 2 2 264.413 3.414 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1ccco1)C1CCCCC1 ZINC000651909738 398304420 /nfs/dbraw/zinc/30/44/20/398304420.db2.gz VQAWIAAAITVBOG-UHFFFAOYSA-N 2 2 264.413 3.414 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC3(CC3(F)F)CC2)c[nH+]1 ZINC000651953826 398311730 /nfs/dbraw/zinc/31/17/30/398311730.db2.gz YCTHLDYXWITAFF-UHFFFAOYSA-N 2 2 280.362 3.444 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423297784 282954705 /nfs/dbraw/zinc/95/47/05/282954705.db2.gz LVWYVTBUHJBIJR-WDEREUQCSA-N 2 2 256.340 3.133 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423484136 529453626 /nfs/dbraw/zinc/45/36/26/529453626.db2.gz YIQMRYQXTWPLNN-SCZZXKLOSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H](F)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000440500452 529438708 /nfs/dbraw/zinc/43/87/08/529438708.db2.gz BWXPHRMVIBXBIP-OCCSQVGLSA-N 2 2 261.344 3.271 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccoc1 ZINC000423497874 529611930 /nfs/dbraw/zinc/61/19/30/529611930.db2.gz HNMJZNPXYMZKQX-DYVFJYSZSA-N 2 2 272.392 3.063 20 0 CGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCCC1 ZINC000449227941 529598254 /nfs/dbraw/zinc/59/82/54/529598254.db2.gz WSVONDIUMOMFMQ-HNNXBMFYSA-N 2 2 261.413 3.442 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000350895842 219068797 /nfs/dbraw/zinc/06/87/97/219068797.db2.gz LDTQVIICQQXPME-JKSUJKDBSA-N 2 2 296.499 3.292 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423389181 529616799 /nfs/dbraw/zinc/61/67/99/529616799.db2.gz NKHBUZLUACGSRF-ZFWWWQNUSA-N 2 2 279.403 3.040 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000423507764 529617058 /nfs/dbraw/zinc/61/70/58/529617058.db2.gz QJXJPOMGHMKZOR-DJIMGWMZSA-N 2 2 260.425 3.273 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423395412 295686628 /nfs/dbraw/zinc/68/66/28/295686628.db2.gz SUPHJRWZQRKHIS-OBJOEFQTSA-N 2 2 264.438 3.200 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368103992 529660960 /nfs/dbraw/zinc/66/09/60/529660960.db2.gz ZSQUZQDUDDLWEJ-KGLIPLIRSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000368103992 529660961 /nfs/dbraw/zinc/66/09/61/529660961.db2.gz ZSQUZQDUDDLWEJ-KGLIPLIRSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423236166 529676101 /nfs/dbraw/zinc/67/61/01/529676101.db2.gz RPXWPPSIFWWZGG-KRWDZBQOSA-N 2 2 296.418 3.054 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623414476 349802787 /nfs/dbraw/zinc/80/27/87/349802787.db2.gz FNSRVYTYJNZGNF-NEPJUHHUSA-N 2 2 281.469 3.229 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623414476 349802790 /nfs/dbraw/zinc/80/27/90/349802790.db2.gz FNSRVYTYJNZGNF-NEPJUHHUSA-N 2 2 281.469 3.229 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000591708618 346933915 /nfs/dbraw/zinc/93/39/15/346933915.db2.gz FVQPSJFHFUGAOT-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000591708618 346933918 /nfs/dbraw/zinc/93/39/18/346933918.db2.gz FVQPSJFHFUGAOT-APWZRJJASA-N 2 2 295.430 3.315 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478210 349816835 /nfs/dbraw/zinc/81/68/35/349816835.db2.gz DDAIWOKNGHZLOV-NWDGAFQWSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478210 349816839 /nfs/dbraw/zinc/81/68/39/349816839.db2.gz DDAIWOKNGHZLOV-NWDGAFQWSA-N 2 2 282.378 3.488 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC34CCCCC4)n2c1 ZINC000623567690 349836785 /nfs/dbraw/zinc/83/67/85/349836785.db2.gz ARPPOXBBRIAQNQ-OAHLLOKOSA-N 2 2 269.392 3.455 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)sn1 ZINC000623598347 349844998 /nfs/dbraw/zinc/84/49/98/349844998.db2.gz ZNJFKHWMYQYIRT-UHFFFAOYSA-N 2 2 279.453 3.030 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)n1C ZINC000623606769 349847810 /nfs/dbraw/zinc/84/78/10/349847810.db2.gz KHFSDMKYRIHFQL-HZPDHXFCSA-N 2 2 269.392 3.010 20 0 CGADLP Cc1ccc(F)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351543998 219120165 /nfs/dbraw/zinc/12/01/65/219120165.db2.gz ICLNTVOHCXMDBP-UHFFFAOYSA-N 2 2 296.349 3.386 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000623878655 349903168 /nfs/dbraw/zinc/90/31/68/349903168.db2.gz MYBHBRZRPFANRH-GFCCVEGCSA-N 2 2 279.453 3.119 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423225514 529978931 /nfs/dbraw/zinc/97/89/31/529978931.db2.gz NBFPGJWMLYRWPO-LLVKDONJSA-N 2 2 294.345 3.311 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423284976 529986190 /nfs/dbraw/zinc/98/61/90/529986190.db2.gz ZCKKHPWTIRQCEB-CHWSQXEVSA-N 2 2 289.448 3.316 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672468 344964729 /nfs/dbraw/zinc/96/47/29/344964729.db2.gz SKAGNOGOOBDKTK-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672468 344964733 /nfs/dbraw/zinc/96/47/33/344964733.db2.gz SKAGNOGOOBDKTK-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040673171 344964892 /nfs/dbraw/zinc/96/48/92/344964892.db2.gz JPFSLXLKYGDCJS-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040673171 344964894 /nfs/dbraw/zinc/96/48/94/344964894.db2.gz JPFSLXLKYGDCJS-ZDUSSCGKSA-N 2 2 273.207 3.177 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000063188572 345244137 /nfs/dbraw/zinc/24/41/37/345244137.db2.gz UMLQJTDUQCSRAV-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000063188572 345244140 /nfs/dbraw/zinc/24/41/40/345244140.db2.gz UMLQJTDUQCSRAV-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000065202248 345269078 /nfs/dbraw/zinc/26/90/78/345269078.db2.gz RRTKPWULIKTGBL-KRWDZBQOSA-N 2 2 281.403 3.406 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000065202248 345269083 /nfs/dbraw/zinc/26/90/83/345269083.db2.gz RRTKPWULIKTGBL-KRWDZBQOSA-N 2 2 281.403 3.406 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154618742 232220150 /nfs/dbraw/zinc/22/01/50/232220150.db2.gz NVKIQPCIYGGMNN-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154618742 232220152 /nfs/dbraw/zinc/22/01/52/232220152.db2.gz NVKIQPCIYGGMNN-SMDDNHRTSA-N 2 2 252.789 3.085 20 0 CGADLP COc1ccc([C@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)C)cc1 ZINC000091262810 345809291 /nfs/dbraw/zinc/80/92/91/345809291.db2.gz XNIDROQGZDMEHM-MRXNPFEDSA-N 2 2 278.440 3.322 20 0 CGADLP CCC[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091457398 345815083 /nfs/dbraw/zinc/81/50/83/345815083.db2.gz RYPQFIQCPVJHAP-LLVKDONJSA-N 2 2 287.329 3.244 20 0 CGADLP CCC[N@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000091457398 345815086 /nfs/dbraw/zinc/81/50/86/345815086.db2.gz RYPQFIQCPVJHAP-LLVKDONJSA-N 2 2 287.329 3.244 20 0 CGADLP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090116999 345784235 /nfs/dbraw/zinc/78/42/35/345784235.db2.gz NHMUCWALBZAAKJ-CVEARBPZSA-N 2 2 289.467 3.460 20 0 CGADLP C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090720944 345792231 /nfs/dbraw/zinc/79/22/31/345792231.db2.gz UIIQZDGEXDMYDD-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090846961 345796096 /nfs/dbraw/zinc/79/60/96/345796096.db2.gz QGGYGSAXKRBNQV-CQSZACIVSA-N 2 2 270.376 3.292 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1F ZINC000090847464 345796244 /nfs/dbraw/zinc/79/62/44/345796244.db2.gz DJIFTRSJMFMQKX-CYBMUJFWSA-N 2 2 288.366 3.431 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c[nH+]1 ZINC000092648660 345848913 /nfs/dbraw/zinc/84/89/13/345848913.db2.gz ZUTJNETXWPDUFY-SJLPKXTDSA-N 2 2 281.403 3.324 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000092073928 345829794 /nfs/dbraw/zinc/82/97/94/345829794.db2.gz WWIJFOUWOOQDTR-YMAMQOFZSA-N 2 2 261.413 3.415 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000092073928 345829796 /nfs/dbraw/zinc/82/97/96/345829796.db2.gz WWIJFOUWOOQDTR-YMAMQOFZSA-N 2 2 261.413 3.415 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071519 345830432 /nfs/dbraw/zinc/83/04/32/345830432.db2.gz UWEARDVQMWUJAD-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071519 345830433 /nfs/dbraw/zinc/83/04/33/345830433.db2.gz UWEARDVQMWUJAD-GFCCVEGCSA-N 2 2 290.436 3.369 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866271 345890191 /nfs/dbraw/zinc/89/01/91/345890191.db2.gz GMKQENMLSRMDOU-CYBMUJFWSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866271 345890193 /nfs/dbraw/zinc/89/01/93/345890193.db2.gz GMKQENMLSRMDOU-CYBMUJFWSA-N 2 2 290.313 3.013 20 0 CGADLP COc1ccsc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093659965 345884201 /nfs/dbraw/zinc/88/42/01/345884201.db2.gz XLALJMSVHIYITD-ZDUSSCGKSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093659965 345884203 /nfs/dbraw/zinc/88/42/03/345884203.db2.gz XLALJMSVHIYITD-ZDUSSCGKSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000093659965 345884204 /nfs/dbraw/zinc/88/42/04/345884204.db2.gz XLALJMSVHIYITD-ZDUSSCGKSA-N 2 2 282.453 3.063 20 0 CGADLP COc1ccsc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000093659965 345884206 /nfs/dbraw/zinc/88/42/06/345884206.db2.gz XLALJMSVHIYITD-ZDUSSCGKSA-N 2 2 282.453 3.063 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000123227318 346008551 /nfs/dbraw/zinc/00/85/51/346008551.db2.gz YFBLWCBLHXRZFI-HIFRSBDPSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000123227318 346008552 /nfs/dbraw/zinc/00/85/52/346008552.db2.gz YFBLWCBLHXRZFI-HIFRSBDPSA-N 2 2 254.377 3.195 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125303912 346016659 /nfs/dbraw/zinc/01/66/59/346016659.db2.gz ODGSBHRFFFMNPO-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000125303912 346016660 /nfs/dbraw/zinc/01/66/60/346016660.db2.gz ODGSBHRFFFMNPO-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129043034 346046790 /nfs/dbraw/zinc/04/67/90/346046790.db2.gz UVGPZKGJXZODQJ-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129043034 346046792 /nfs/dbraw/zinc/04/67/92/346046792.db2.gz UVGPZKGJXZODQJ-JSGCOSHPSA-N 2 2 287.432 3.122 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000178312356 232387249 /nfs/dbraw/zinc/38/72/49/232387249.db2.gz TXBCXDWDFIQWNN-SFHVURJKSA-N 2 2 272.436 3.002 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000174318431 346240572 /nfs/dbraw/zinc/24/05/72/346240572.db2.gz IVPSDUGCYYGMEJ-QQFBHYJXSA-N 2 2 263.429 3.324 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000226705033 346307258 /nfs/dbraw/zinc/30/72/58/346307258.db2.gz NZFGYIUOLWYVQX-FPCVCCKLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000226705033 346307260 /nfs/dbraw/zinc/30/72/60/346307260.db2.gz NZFGYIUOLWYVQX-FPCVCCKLSA-N 2 2 252.446 3.131 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211232 215016981 /nfs/dbraw/zinc/01/69/81/215016981.db2.gz GMOBLXOUOLPYNT-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211232 215016984 /nfs/dbraw/zinc/01/69/84/215016984.db2.gz GMOBLXOUOLPYNT-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211232 215016986 /nfs/dbraw/zinc/01/69/86/215016986.db2.gz GMOBLXOUOLPYNT-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211232 215016989 /nfs/dbraw/zinc/01/69/89/215016989.db2.gz GMOBLXOUOLPYNT-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Cl)c1 ZINC000235866279 346338098 /nfs/dbraw/zinc/33/80/98/346338098.db2.gz WKDPGDWJQLJZQA-UHFFFAOYSA-N 2 2 266.816 3.224 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253009912 346393221 /nfs/dbraw/zinc/39/32/21/346393221.db2.gz BEJDJMRMHCUSIG-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253009912 346393226 /nfs/dbraw/zinc/39/32/26/346393226.db2.gz BEJDJMRMHCUSIG-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000624101102 349970494 /nfs/dbraw/zinc/97/04/94/349970494.db2.gz JLZMSWTYBRFFCD-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000624101102 349970496 /nfs/dbraw/zinc/97/04/96/349970496.db2.gz JLZMSWTYBRFFCD-ZACQAIPSSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000395179005 346577943 /nfs/dbraw/zinc/57/79/43/346577943.db2.gz OVMNBNGMCURHTP-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000395179005 346577947 /nfs/dbraw/zinc/57/79/47/346577947.db2.gz OVMNBNGMCURHTP-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ncccc1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000405955169 346604005 /nfs/dbraw/zinc/60/40/05/346604005.db2.gz JTKFZJNZLWQXBA-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ncccc1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000405955169 346604007 /nfs/dbraw/zinc/60/40/07/346604007.db2.gz JTKFZJNZLWQXBA-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc[nH+]1 ZINC000119210985 370655936 /nfs/dbraw/zinc/65/59/36/370655936.db2.gz BZVWCNRYNVYYCJ-UHFFFAOYSA-N 2 2 292.427 3.020 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847536 219224023 /nfs/dbraw/zinc/22/40/23/219224023.db2.gz AGHASZVLJFEGOR-GXTWGEPZSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847536 219224025 /nfs/dbraw/zinc/22/40/25/219224025.db2.gz AGHASZVLJFEGOR-GXTWGEPZSA-N 2 2 293.480 3.360 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CC1CC1 ZINC000128601060 187379775 /nfs/dbraw/zinc/37/97/75/187379775.db2.gz ONPWKXZQYFTOHO-GFCCVEGCSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862856 219229942 /nfs/dbraw/zinc/22/99/42/219229942.db2.gz RHHQIDTYHAZCPV-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000351862856 219229944 /nfs/dbraw/zinc/22/99/44/219229944.db2.gz RHHQIDTYHAZCPV-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(C3CCC3)cc1)CC2 ZINC000339364676 215123895 /nfs/dbraw/zinc/12/38/95/215123895.db2.gz WCJRMIQYYUAGBD-QGZVFWFLSA-N 2 2 281.403 3.255 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)s1 ZINC000624121743 349980269 /nfs/dbraw/zinc/98/02/69/349980269.db2.gz CEOSLLHTOXVPRO-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)s1 ZINC000624121743 349980274 /nfs/dbraw/zinc/98/02/74/349980274.db2.gz CEOSLLHTOXVPRO-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000607729198 348258931 /nfs/dbraw/zinc/25/89/31/348258931.db2.gz DBZAPRNTMAQLOW-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000607729198 348258933 /nfs/dbraw/zinc/25/89/33/348258933.db2.gz DBZAPRNTMAQLOW-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431711 215163770 /nfs/dbraw/zinc/16/37/70/215163770.db2.gz ACSBDTLTDHWUEU-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431711 215163773 /nfs/dbraw/zinc/16/37/73/215163773.db2.gz ACSBDTLTDHWUEU-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431711 215163774 /nfs/dbraw/zinc/16/37/74/215163774.db2.gz ACSBDTLTDHWUEU-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC000339431711 215163778 /nfs/dbraw/zinc/16/37/78/215163778.db2.gz ACSBDTLTDHWUEU-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP CC1CCC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000608058554 348280437 /nfs/dbraw/zinc/28/04/37/348280437.db2.gz DQDYJKLIQNTNJS-UHFFFAOYSA-N 2 2 286.463 3.254 20 0 CGADLP Cc1[nH]c2ccc(Cn3cc[nH+]c3C(C)C)cc2[nH+]1 ZINC000358859465 233205914 /nfs/dbraw/zinc/20/59/14/233205914.db2.gz JKTCBGRTCAFBFK-UHFFFAOYSA-N 2 2 254.337 3.240 20 0 CGADLP c1[nH]c2c([nH+]1)CC[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000625434403 350170874 /nfs/dbraw/zinc/17/08/74/350170874.db2.gz SCURUNICRQVKJY-GDBMZVCRSA-N 2 2 281.403 3.352 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271330107 191077220 /nfs/dbraw/zinc/07/72/20/191077220.db2.gz ZPZBNSVRFMBNHR-CYBMUJFWSA-N 2 2 269.348 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cn1 ZINC000359671395 233354299 /nfs/dbraw/zinc/35/42/99/233354299.db2.gz ICYORICSLMMARD-IACUBPJLSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cn1 ZINC000359671395 233354302 /nfs/dbraw/zinc/35/43/02/233354302.db2.gz ICYORICSLMMARD-IACUBPJLSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@@H+]1C ZINC000359680206 233356348 /nfs/dbraw/zinc/35/63/48/233356348.db2.gz ZAYQYNWEUZHNBD-KDOFPFPSSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@H+]1C ZINC000359680206 233356350 /nfs/dbraw/zinc/35/63/50/233356350.db2.gz ZAYQYNWEUZHNBD-KDOFPFPSSA-N 2 2 288.435 3.048 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCC2CCC2)CC1 ZINC000626089242 350258339 /nfs/dbraw/zinc/25/83/39/350258339.db2.gz HSQXCCZRKXOACN-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1ncc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000628220910 350447503 /nfs/dbraw/zinc/44/75/03/350447503.db2.gz NXMUHPBBNQYYNZ-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628211109 350442760 /nfs/dbraw/zinc/44/27/60/350442760.db2.gz WTPYKYVHAKTRPN-UHFFFAOYSA-N 2 2 288.357 3.178 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628211109 350442763 /nfs/dbraw/zinc/44/27/63/350442763.db2.gz WTPYKYVHAKTRPN-UHFFFAOYSA-N 2 2 288.357 3.178 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419531 350532460 /nfs/dbraw/zinc/53/24/60/350532460.db2.gz PLTAIOLOKXKKFL-DOMZBBRYSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419531 350532462 /nfs/dbraw/zinc/53/24/62/350532462.db2.gz PLTAIOLOKXKKFL-DOMZBBRYSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454830 350542230 /nfs/dbraw/zinc/54/22/30/350542230.db2.gz WPQQPSHQVPCDKJ-BXUZGUMPSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454830 350542232 /nfs/dbraw/zinc/54/22/32/350542232.db2.gz WPQQPSHQVPCDKJ-BXUZGUMPSA-N 2 2 272.383 3.027 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000629525976 350702461 /nfs/dbraw/zinc/70/24/61/350702461.db2.gz IAIBGSILNIXCNP-RRFJBIMHSA-N 2 2 294.826 3.284 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000629534513 350704764 /nfs/dbraw/zinc/70/47/64/350704764.db2.gz ALAGLIYYODHVRG-SDDRHHMPSA-N 2 2 252.427 3.102 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(O)ccc1Cl)C1CCCCC1 ZINC000629535509 350705135 /nfs/dbraw/zinc/70/51/35/350705135.db2.gz GMPRZAXARSZCCL-HNNXBMFYSA-N 2 2 282.815 3.043 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C[NH2+]1 ZINC000629540667 350707551 /nfs/dbraw/zinc/70/75/51/350707551.db2.gz SERWEMKIEXRJMH-LSCVPOLPSA-N 2 2 282.478 3.404 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1csc(Cl)c1 ZINC000629542658 350707799 /nfs/dbraw/zinc/70/77/99/350707799.db2.gz IJOUAYGUAVMNFR-YWVKMMECSA-N 2 2 258.818 3.193 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C(C)C)cc1 ZINC000629542881 350708235 /nfs/dbraw/zinc/70/82/35/350708235.db2.gz OCEJOQUUXPMFHR-YSVLISHTSA-N 2 2 276.424 3.122 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000629544892 350709655 /nfs/dbraw/zinc/70/96/55/350709655.db2.gz GWDBTFDESIFHSJ-GBIKHYSHSA-N 2 2 272.314 3.106 20 0 CGADLP C[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000629551274 350711404 /nfs/dbraw/zinc/71/14/04/350711404.db2.gz SUUZMDCLOPRFQV-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000629406326 350689439 /nfs/dbraw/zinc/68/94/39/350689439.db2.gz MEXRAODTIKEXJL-XHDPSFHLSA-N 2 2 290.407 3.394 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C[NH2+]1 ZINC000629416764 350690951 /nfs/dbraw/zinc/69/09/51/350690951.db2.gz VLAZUIJZLAZYNU-DGCLKSJQSA-N 2 2 289.810 3.118 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2c1 ZINC000629509870 350699049 /nfs/dbraw/zinc/69/90/49/350699049.db2.gz PSRJUBJPBRVDQW-KBXCAEBGSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])cc2c1 ZINC000629509870 350699055 /nfs/dbraw/zinc/69/90/55/350699055.db2.gz PSRJUBJPBRVDQW-KBXCAEBGSA-N 2 2 283.419 3.245 20 0 CGADLP FC(F)(F)Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000631029560 350929631 /nfs/dbraw/zinc/92/96/31/350929631.db2.gz CWRHNUPGWDKDKM-UHFFFAOYSA-N 2 2 297.324 3.168 20 0 CGADLP CC[C@](C)([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000631194263 350986464 /nfs/dbraw/zinc/98/64/64/350986464.db2.gz KIPQJTDRPIQATQ-KRWDZBQOSA-N 2 2 287.382 3.383 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)s1 ZINC000631223718 350997320 /nfs/dbraw/zinc/99/73/20/350997320.db2.gz FKLUEFPHKWBGPB-NSHDSACASA-N 2 2 286.404 3.258 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518858 213397892 /nfs/dbraw/zinc/39/78/92/213397892.db2.gz IZZGPDJVWDHTSP-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518858 213397894 /nfs/dbraw/zinc/39/78/94/213397894.db2.gz IZZGPDJVWDHTSP-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518858 213397897 /nfs/dbraw/zinc/39/78/97/213397897.db2.gz IZZGPDJVWDHTSP-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)C1 ZINC000336518858 213397900 /nfs/dbraw/zinc/39/79/00/213397900.db2.gz IZZGPDJVWDHTSP-RCAFFNEUSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc4ccccc4c[nH+]3)C2)C1 ZINC000631282140 351014301 /nfs/dbraw/zinc/01/43/01/351014301.db2.gz URTVQAYSZSJHNY-GOSISDBHSA-N 2 2 281.403 3.157 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCN(c3cc4ccccc4c[nH+]3)C2)C1 ZINC000631282140 351014303 /nfs/dbraw/zinc/01/43/03/351014303.db2.gz URTVQAYSZSJHNY-GOSISDBHSA-N 2 2 281.403 3.157 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000631645326 351103587 /nfs/dbraw/zinc/10/35/87/351103587.db2.gz ODYYYVPXQMLWPU-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000631645326 351103592 /nfs/dbraw/zinc/10/35/92/351103592.db2.gz ODYYYVPXQMLWPU-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@@H](C)C[NH+](C)C ZINC000631632782 351097884 /nfs/dbraw/zinc/09/78/84/351097884.db2.gz VYXWGGUWOVODBH-KBPBESRZSA-N 2 2 273.424 3.029 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631891165 351152538 /nfs/dbraw/zinc/15/25/38/351152538.db2.gz YVDRHNHLYAAYSV-IUODEOHRSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631891165 351152539 /nfs/dbraw/zinc/15/25/39/351152539.db2.gz YVDRHNHLYAAYSV-IUODEOHRSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678924 351564714 /nfs/dbraw/zinc/56/47/14/351564714.db2.gz HGUZAJJLFFDABE-IRXDYDNUSA-N 2 2 290.451 3.145 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000120001675 186868152 /nfs/dbraw/zinc/86/81/52/186868152.db2.gz FWGNWKVWTHCQEZ-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000120001675 186868153 /nfs/dbraw/zinc/86/81/53/186868153.db2.gz FWGNWKVWTHCQEZ-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991609 351619037 /nfs/dbraw/zinc/61/90/37/351619037.db2.gz KURWLDZNIGQJDL-BZUNDVKYSA-N 2 2 298.352 3.450 20 0 CGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991609 351619041 /nfs/dbraw/zinc/61/90/41/351619041.db2.gz KURWLDZNIGQJDL-BZUNDVKYSA-N 2 2 298.352 3.450 20 0 CGADLP Fc1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCCC2)c(F)c1 ZINC000634992844 351619277 /nfs/dbraw/zinc/61/92/77/351619277.db2.gz CTYKZHFRRISRSP-UHFFFAOYSA-N 2 2 292.373 3.076 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123999937 187118015 /nfs/dbraw/zinc/11/80/15/187118015.db2.gz BBMXLCKBCBDZKB-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123999937 187118016 /nfs/dbraw/zinc/11/80/16/187118016.db2.gz BBMXLCKBCBDZKB-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123999937 187118017 /nfs/dbraw/zinc/11/80/17/187118017.db2.gz BBMXLCKBCBDZKB-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123999937 187118018 /nfs/dbraw/zinc/11/80/18/187118018.db2.gz BBMXLCKBCBDZKB-DOMZBBRYSA-N 2 2 296.842 3.263 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)o1 ZINC000365195714 234089386 /nfs/dbraw/zinc/08/93/86/234089386.db2.gz IBIJWKSDMGGOPN-CYBMUJFWSA-N 2 2 287.407 3.323 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000365624318 234118765 /nfs/dbraw/zinc/11/87/65/234118765.db2.gz HDPWKDDDUZYITL-SFHVURJKSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000365624318 234118767 /nfs/dbraw/zinc/11/87/67/234118767.db2.gz HDPWKDDDUZYITL-SFHVURJKSA-N 2 2 295.430 3.288 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000367368870 234209753 /nfs/dbraw/zinc/20/97/53/234209753.db2.gz XUMUQNBDVZJDIR-DOTOQJQBSA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000367368870 234209754 /nfs/dbraw/zinc/20/97/54/234209754.db2.gz XUMUQNBDVZJDIR-DOTOQJQBSA-N 2 2 299.418 3.156 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000152326007 188009613 /nfs/dbraw/zinc/00/96/13/188009613.db2.gz BNYLYQHDVCYJND-HUUCEWRRSA-N 2 2 299.418 3.286 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000152326007 188009615 /nfs/dbraw/zinc/00/96/15/188009615.db2.gz BNYLYQHDVCYJND-HUUCEWRRSA-N 2 2 299.418 3.286 20 0 CGADLP C[C@H]([NH2+]C1(CNCc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000152358237 188012988 /nfs/dbraw/zinc/01/29/88/188012988.db2.gz MSHBMKHLOKFBQZ-HNNXBMFYSA-N 2 2 298.434 3.163 20 0 CGADLP C[C@H]1CC[N@H+](CCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000154026040 188118424 /nfs/dbraw/zinc/11/84/24/188118424.db2.gz PLOQJOGJZPEPQQ-WMZOPIPTSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@H]1CC[N@@H+](CCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000154026040 188118425 /nfs/dbraw/zinc/11/84/25/188118425.db2.gz PLOQJOGJZPEPQQ-WMZOPIPTSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654638 188156213 /nfs/dbraw/zinc/15/62/13/188156213.db2.gz JZGPUKPWEYOPOK-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654638 188156214 /nfs/dbraw/zinc/15/62/14/188156214.db2.gz JZGPUKPWEYOPOK-DNVCBOLYSA-N 2 2 295.430 3.493 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000155726830 188224348 /nfs/dbraw/zinc/22/43/48/188224348.db2.gz KIHCHSIGISWCMR-KRWDZBQOSA-N 2 2 271.408 3.130 20 0 CGADLP CCN(CC)c1ccc(CNc2cccc(C)[nH+]2)c[nH+]1 ZINC000157109781 188298211 /nfs/dbraw/zinc/29/82/11/188298211.db2.gz RDXQKVXLPLNRKI-UHFFFAOYSA-N 2 2 270.380 3.243 20 0 CGADLP FC1(F)CCCC[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336196067 282945241 /nfs/dbraw/zinc/94/52/41/282945241.db2.gz OFMQGUAXCNRFBL-ZDUSSCGKSA-N 2 2 283.366 3.415 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336377349 213230754 /nfs/dbraw/zinc/23/07/54/213230754.db2.gz HSMRFGAHYJATQA-ZDUSSCGKSA-N 2 2 275.783 3.019 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336377349 213230755 /nfs/dbraw/zinc/23/07/55/213230755.db2.gz HSMRFGAHYJATQA-ZDUSSCGKSA-N 2 2 275.783 3.019 20 0 CGADLP Clc1cccc(Cl)c1C1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000271761603 191311939 /nfs/dbraw/zinc/31/19/39/191311939.db2.gz GEFMXANHTCROLM-UHFFFAOYSA-N 2 2 296.201 3.469 20 0 CGADLP Cc1cc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)C2CC2)ccc1F ZINC000414123846 235341741 /nfs/dbraw/zinc/34/17/41/235341741.db2.gz KCBPNAAAXGBTEQ-KRWDZBQOSA-N 2 2 287.382 3.151 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414215111 235366315 /nfs/dbraw/zinc/36/63/15/235366315.db2.gz ZRNUULSULCBIAL-XYJFISCASA-N 2 2 290.451 3.084 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414215111 235366317 /nfs/dbraw/zinc/36/63/17/235366317.db2.gz ZRNUULSULCBIAL-XYJFISCASA-N 2 2 290.451 3.084 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000414341194 235391808 /nfs/dbraw/zinc/39/18/08/235391808.db2.gz OFGLAMKKLFTGPY-DZOHQFGASA-N 2 2 296.414 3.388 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000414341194 235391809 /nfs/dbraw/zinc/39/18/09/235391809.db2.gz OFGLAMKKLFTGPY-DZOHQFGASA-N 2 2 296.414 3.388 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000370246631 291083433 /nfs/dbraw/zinc/08/34/33/291083433.db2.gz HHUICHXOVDTFLH-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000414840404 235479054 /nfs/dbraw/zinc/47/90/54/235479054.db2.gz XACIAWGHNNVTFK-HNNXBMFYSA-N 2 2 294.320 3.495 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110212592 138362915 /nfs/dbraw/zinc/36/29/15/138362915.db2.gz ILGQGZVVJUUABA-CQSZACIVSA-N 2 2 288.439 3.421 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110212592 138362916 /nfs/dbraw/zinc/36/29/16/138362916.db2.gz ILGQGZVVJUUABA-CQSZACIVSA-N 2 2 288.439 3.421 20 0 CGADLP CCC[N@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000111234700 138364206 /nfs/dbraw/zinc/36/42/06/138364206.db2.gz ZRJHNFVRXDEGGZ-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000111234700 138364207 /nfs/dbraw/zinc/36/42/07/138364207.db2.gz ZRJHNFVRXDEGGZ-AWEZNQCLSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124369494 138374468 /nfs/dbraw/zinc/37/44/68/138374468.db2.gz JJMBWLIOMKYREF-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124369494 138374469 /nfs/dbraw/zinc/37/44/69/138374469.db2.gz JJMBWLIOMKYREF-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000128187845 138392700 /nfs/dbraw/zinc/39/27/00/138392700.db2.gz IERHZMUBXGSXAU-INIZCTEOSA-N 2 2 282.387 3.402 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000128187845 138392701 /nfs/dbraw/zinc/39/27/01/138392701.db2.gz IERHZMUBXGSXAU-INIZCTEOSA-N 2 2 282.387 3.402 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[N@@H+]1C ZINC000129834040 138398364 /nfs/dbraw/zinc/39/83/64/138398364.db2.gz LFHJOBUJWXDEGZ-KYJSFNMBSA-N 2 2 284.403 3.441 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccco2)c2ccccc2)CC[N@H+]1C ZINC000129834040 138398365 /nfs/dbraw/zinc/39/83/65/138398365.db2.gz LFHJOBUJWXDEGZ-KYJSFNMBSA-N 2 2 284.403 3.441 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cs1 ZINC000423238663 236005750 /nfs/dbraw/zinc/00/57/50/236005750.db2.gz ALPUWAFCEHMARP-WFASDCNBSA-N 2 2 260.406 3.407 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423253314 236009465 /nfs/dbraw/zinc/00/94/65/236009465.db2.gz YZJXHPNIRFRPPB-MOPGFXCFSA-N 2 2 296.414 3.362 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252560 236009732 /nfs/dbraw/zinc/00/97/32/236009732.db2.gz XPWFPWSHYGTRKW-PBHICJAKSA-N 2 2 284.403 3.436 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252556 236009772 /nfs/dbraw/zinc/00/97/72/236009772.db2.gz XPQPVRMMDSOPQJ-DGCLKSJQSA-N 2 2 276.405 3.107 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423265970 236014433 /nfs/dbraw/zinc/01/44/33/236014433.db2.gz BMJRBLDCTCUDPB-UGSOOPFHSA-N 2 2 297.402 3.262 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(C2CC2)c1 ZINC000423375907 236054818 /nfs/dbraw/zinc/05/48/18/236054818.db2.gz YBQCRTNJKZHYND-DCGLDWPTSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000423376345 236055084 /nfs/dbraw/zinc/05/50/84/236055084.db2.gz VDJIGKOZUHPWKL-GJZGRUSLSA-N 2 2 284.403 3.263 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000423563167 236099287 /nfs/dbraw/zinc/09/92/87/236099287.db2.gz QWGILMGXSMUQTM-WCQYABFASA-N 2 2 282.428 3.340 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000425343765 236233071 /nfs/dbraw/zinc/23/30/71/236233071.db2.gz CSUBSNWVDKQGKT-UHFFFAOYSA-N 2 2 293.361 3.300 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000425343765 236233073 /nfs/dbraw/zinc/23/30/73/236233073.db2.gz CSUBSNWVDKQGKT-UHFFFAOYSA-N 2 2 293.361 3.300 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000426492618 236299365 /nfs/dbraw/zinc/29/93/65/236299365.db2.gz SYZHBQMDMZKPFW-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000426492618 236299366 /nfs/dbraw/zinc/29/93/66/236299366.db2.gz SYZHBQMDMZKPFW-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336200145 213019663 /nfs/dbraw/zinc/01/96/63/213019663.db2.gz YODHXBDCZWKRPS-CMPLNLGQSA-N 2 2 293.773 3.341 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000423318743 283390683 /nfs/dbraw/zinc/39/06/83/283390683.db2.gz ZIEJUDCGEJBSPV-INIZCTEOSA-N 2 2 276.424 3.106 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000437071830 237243227 /nfs/dbraw/zinc/24/32/27/237243227.db2.gz AUFVCHPSHDISQT-ROUUACIJSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437111449 237253889 /nfs/dbraw/zinc/25/38/89/237253889.db2.gz QGHBTULFTYVWHN-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000437754155 237340002 /nfs/dbraw/zinc/34/00/02/237340002.db2.gz AQZKBITWSUNSQG-ROUUACIJSA-N 2 2 272.436 3.182 20 0 CGADLP Cc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)cc1C ZINC000297739299 200272565 /nfs/dbraw/zinc/27/25/65/200272565.db2.gz KJVGSXLUJSVXOT-UHFFFAOYSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)cc1C ZINC000297739299 200272567 /nfs/dbraw/zinc/27/25/67/200272567.db2.gz KJVGSXLUJSVXOT-UHFFFAOYSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cs1 ZINC000297839499 200290130 /nfs/dbraw/zinc/29/01/30/200290130.db2.gz SISIZHKOFWTKNN-WBIUFABUSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cs1 ZINC000297839499 200290131 /nfs/dbraw/zinc/29/01/31/200290131.db2.gz SISIZHKOFWTKNN-WBIUFABUSA-N 2 2 264.438 3.190 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000298000739 200315324 /nfs/dbraw/zinc/31/53/24/200315324.db2.gz ZLVSPHXBYVBEKI-UHFFFAOYSA-N 2 2 287.407 3.391 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000298000739 200315326 /nfs/dbraw/zinc/31/53/26/200315326.db2.gz ZLVSPHXBYVBEKI-UHFFFAOYSA-N 2 2 287.407 3.391 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000298338270 200399268 /nfs/dbraw/zinc/39/92/68/200399268.db2.gz JFHKDELBJKKPFK-UHFFFAOYSA-N 2 2 283.419 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3C3CCC3)cn2)c[nH+]1 ZINC000177114043 189030290 /nfs/dbraw/zinc/03/02/90/189030290.db2.gz KUKISRCJABUJMV-MRXNPFEDSA-N 2 2 282.391 3.032 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3C3CCC3)cn2)c[nH+]1 ZINC000177114043 189030291 /nfs/dbraw/zinc/03/02/91/189030291.db2.gz KUKISRCJABUJMV-MRXNPFEDSA-N 2 2 282.391 3.032 20 0 CGADLP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CC2)[NH+]2CCCC2)c1 ZINC000177181725 189035189 /nfs/dbraw/zinc/03/51/89/189035189.db2.gz AHYVGLAQZHMMKP-KBXCAEBGSA-N 2 2 288.435 3.220 20 0 CGADLP CCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258936 189040403 /nfs/dbraw/zinc/04/04/03/189040403.db2.gz BPTZDEOQDWDCFU-UHFFFAOYSA-N 2 2 289.467 3.211 20 0 CGADLP CCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258936 189040404 /nfs/dbraw/zinc/04/04/04/189040404.db2.gz BPTZDEOQDWDCFU-UHFFFAOYSA-N 2 2 289.467 3.211 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)CCCOC)[NH+](C)C)cc1 ZINC000178061162 189088658 /nfs/dbraw/zinc/08/86/58/189088658.db2.gz IUXXLDMWSARKPI-MAUKXSAKSA-N 2 2 292.467 3.256 20 0 CGADLP CC(C)SCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342066442 216206665 /nfs/dbraw/zinc/20/66/65/216206665.db2.gz BUEJAIBDVSVDRA-UHFFFAOYSA-N 2 2 281.450 3.165 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439314130 238249310 /nfs/dbraw/zinc/24/93/10/238249310.db2.gz GRKJPTWHQPZCIV-QAPCUYQASA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439314130 238249315 /nfs/dbraw/zinc/24/93/15/238249315.db2.gz GRKJPTWHQPZCIV-QAPCUYQASA-N 2 2 283.419 3.460 20 0 CGADLP Cc1csc(C(C)(C)[NH2+]Cc2cccc3[nH+]ccn32)n1 ZINC000179426768 189193456 /nfs/dbraw/zinc/19/34/56/189193456.db2.gz WQTYACFFZVTRQP-UHFFFAOYSA-N 2 2 286.404 3.124 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469737 189196357 /nfs/dbraw/zinc/19/63/57/189196357.db2.gz XWXQPPWZPKEFSD-CQSZACIVSA-N 2 2 283.419 3.010 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469737 189196358 /nfs/dbraw/zinc/19/63/58/189196358.db2.gz XWXQPPWZPKEFSD-CQSZACIVSA-N 2 2 283.419 3.010 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469737 189196359 /nfs/dbraw/zinc/19/63/59/189196359.db2.gz XWXQPPWZPKEFSD-CQSZACIVSA-N 2 2 283.419 3.010 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000179469737 189196360 /nfs/dbraw/zinc/19/63/60/189196360.db2.gz XWXQPPWZPKEFSD-CQSZACIVSA-N 2 2 283.419 3.010 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1F ZINC000179559201 189202116 /nfs/dbraw/zinc/20/21/16/189202116.db2.gz WHBMBYDFVXUEEM-WOPDTQHZSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1F ZINC000179559201 189202117 /nfs/dbraw/zinc/20/21/17/189202117.db2.gz WHBMBYDFVXUEEM-WOPDTQHZSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301546687 201061782 /nfs/dbraw/zinc/06/17/82/201061782.db2.gz UESBSFCFQUCXDC-AWEZNQCLSA-N 2 2 290.455 3.451 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301546687 201061785 /nfs/dbraw/zinc/06/17/85/201061785.db2.gz UESBSFCFQUCXDC-AWEZNQCLSA-N 2 2 290.455 3.451 20 0 CGADLP CC[NH+](CC)C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301633252 201106945 /nfs/dbraw/zinc/10/69/45/201106945.db2.gz DFLRLKQNYSHSOW-OAHLLOKOSA-N 2 2 290.455 3.077 20 0 CGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000301652432 201116088 /nfs/dbraw/zinc/11/60/88/201116088.db2.gz KFRGOTRIDXMERG-DZGCQCFKSA-N 2 2 290.455 3.075 20 0 CGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000301652432 201116092 /nfs/dbraw/zinc/11/60/92/201116092.db2.gz KFRGOTRIDXMERG-DZGCQCFKSA-N 2 2 290.455 3.075 20 0 CGADLP Cc1cc[nH+]c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000301654852 201118691 /nfs/dbraw/zinc/11/86/91/201118691.db2.gz RNRGXVCPYZRXST-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000301654852 201118694 /nfs/dbraw/zinc/11/86/94/201118694.db2.gz RNRGXVCPYZRXST-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301665843 201124905 /nfs/dbraw/zinc/12/49/05/201124905.db2.gz WOYIRXMQOHGXKV-OAHLLOKOSA-N 2 2 290.455 3.441 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301665843 201124909 /nfs/dbraw/zinc/12/49/09/201124909.db2.gz WOYIRXMQOHGXKV-OAHLLOKOSA-N 2 2 290.455 3.441 20 0 CGADLP Fc1cccc(CC[N@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000183178807 189349116 /nfs/dbraw/zinc/34/91/16/189349116.db2.gz LHVBAFVWJCVYRQ-UHFFFAOYSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1cccc(CC[N@@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000183178807 189349117 /nfs/dbraw/zinc/34/91/17/189349117.db2.gz LHVBAFVWJCVYRQ-UHFFFAOYSA-N 2 2 287.382 3.119 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342471922 216365214 /nfs/dbraw/zinc/36/52/14/216365214.db2.gz OZDFHBOSADAXHZ-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000342471922 216365216 /nfs/dbraw/zinc/36/52/16/216365216.db2.gz OZDFHBOSADAXHZ-HZPDHXFCSA-N 2 2 293.455 3.189 20 0 CGADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000301857341 201235509 /nfs/dbraw/zinc/23/55/09/201235509.db2.gz DKSUYAWJDORVBO-HNNXBMFYSA-N 2 2 294.402 3.148 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000449109061 239183699 /nfs/dbraw/zinc/18/36/99/239183699.db2.gz XFXDONWLWVTWQE-CRAIPNDOSA-N 2 2 286.419 3.412 20 0 CGADLP CC(C)c1nc(NCC[C@@H](C)[NH+]2CCCCC2)cc[nH+]1 ZINC000302120606 201348913 /nfs/dbraw/zinc/34/89/13/201348913.db2.gz DIVGNZRGWJGVRI-CQSZACIVSA-N 2 2 276.428 3.276 20 0 CGADLP CCc1cc(NCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000302126248 201350756 /nfs/dbraw/zinc/35/07/56/201350756.db2.gz ILCGRTHFYFKDBA-UHFFFAOYSA-N 2 2 266.348 3.106 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183193 239229662 /nfs/dbraw/zinc/22/96/62/239229662.db2.gz DZYJWYGMQIRVLY-WQGACYEGSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183193 239229670 /nfs/dbraw/zinc/22/96/70/239229670.db2.gz DZYJWYGMQIRVLY-WQGACYEGSA-N 2 2 294.389 3.283 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450632777 240009834 /nfs/dbraw/zinc/00/98/34/240009834.db2.gz SLJSCYPCFANCJF-UPTPFMHGSA-N 2 2 287.451 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450632777 240009838 /nfs/dbraw/zinc/00/98/38/240009838.db2.gz SLJSCYPCFANCJF-UPTPFMHGSA-N 2 2 287.451 3.255 20 0 CGADLP C[N@H+](CC[NH2+][C@@H](c1cccnc1)C1CC1)Cc1ccccc1 ZINC000450720540 240053165 /nfs/dbraw/zinc/05/31/65/240053165.db2.gz UKJUFIFXLQKCOV-LJQANCHMSA-N 2 2 295.430 3.254 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H](c1cccnc1)C1CC1)Cc1ccccc1 ZINC000450720540 240053172 /nfs/dbraw/zinc/05/31/72/240053172.db2.gz UKJUFIFXLQKCOV-LJQANCHMSA-N 2 2 295.430 3.254 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000450814481 240098622 /nfs/dbraw/zinc/09/86/22/240098622.db2.gz VMLJWOLSUNUEQZ-QGZVFWFLSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000450814481 240098631 /nfs/dbraw/zinc/09/86/31/240098631.db2.gz VMLJWOLSUNUEQZ-QGZVFWFLSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1ccc2[nH+]c(Cn3c[nH+]c4c3C[C@@H](C)[C@H](C)C4)cn2c1 ZINC000451003503 240187921 /nfs/dbraw/zinc/18/79/21/240187921.db2.gz VADWVWZXVVNVCK-ZIAGYGMSSA-N 2 2 294.402 3.258 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451566435 240327527 /nfs/dbraw/zinc/32/75/27/240327527.db2.gz MJNISUZTBYJFGG-CRAIPNDOSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451566435 240327530 /nfs/dbraw/zinc/32/75/30/240327530.db2.gz MJNISUZTBYJFGG-CRAIPNDOSA-N 2 2 299.418 3.038 20 0 CGADLP c1coc([C@H]2[N@H+](CCCn3cc[nH+]c3)CC23CCC3)c1 ZINC000451851387 240369931 /nfs/dbraw/zinc/36/99/31/240369931.db2.gz IYCSCJIHUCHDAL-OAHLLOKOSA-N 2 2 271.364 3.093 20 0 CGADLP c1coc([C@H]2[N@@H+](CCCn3cc[nH+]c3)CC23CCC3)c1 ZINC000451851387 240369935 /nfs/dbraw/zinc/36/99/35/240369935.db2.gz IYCSCJIHUCHDAL-OAHLLOKOSA-N 2 2 271.364 3.093 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706286 193110632 /nfs/dbraw/zinc/11/06/32/193110632.db2.gz RECGXIQGDRUHAT-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706286 193110633 /nfs/dbraw/zinc/11/06/33/193110633.db2.gz RECGXIQGDRUHAT-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706286 193110634 /nfs/dbraw/zinc/11/06/34/193110634.db2.gz RECGXIQGDRUHAT-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706286 193110635 /nfs/dbraw/zinc/11/06/35/193110635.db2.gz RECGXIQGDRUHAT-NHYWBVRUSA-N 2 2 284.806 3.251 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000459348367 242085539 /nfs/dbraw/zinc/08/55/39/242085539.db2.gz HCLKBNOQANPUJH-SFHVURJKSA-N 2 2 281.403 3.115 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000459348367 242085541 /nfs/dbraw/zinc/08/55/41/242085541.db2.gz HCLKBNOQANPUJH-SFHVURJKSA-N 2 2 281.403 3.115 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000459391861 242096870 /nfs/dbraw/zinc/09/68/70/242096870.db2.gz VRJBKDVSWBRSSQ-LBPRGKRZSA-N 2 2 295.789 3.410 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000459677754 242175179 /nfs/dbraw/zinc/17/51/79/242175179.db2.gz QBOPQGCQKZSXLQ-SUMWQHHRSA-N 2 2 291.439 3.116 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000480095456 243137860 /nfs/dbraw/zinc/13/78/60/243137860.db2.gz PEEHAJPOOHJVAM-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000480095456 243137863 /nfs/dbraw/zinc/13/78/63/243137863.db2.gz PEEHAJPOOHJVAM-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](C)c3ccccc3)CC2)c1 ZINC000483519891 243289780 /nfs/dbraw/zinc/28/97/80/243289780.db2.gz RTXFNMBADBEVOR-KRWDZBQOSA-N 2 2 295.430 3.316 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000004155488 368533511 /nfs/dbraw/zinc/53/35/11/368533511.db2.gz WWWNSAQTTJKCMX-UHFFFAOYSA-N 2 2 271.408 3.361 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020562666 368808384 /nfs/dbraw/zinc/80/83/84/368808384.db2.gz QPXURSICKAXISU-WBVHZDCISA-N 2 2 260.425 3.459 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000019960320 368790825 /nfs/dbraw/zinc/79/08/25/368790825.db2.gz ZGDAHBUDYLRYAN-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000019960320 368790830 /nfs/dbraw/zinc/79/08/30/368790830.db2.gz ZGDAHBUDYLRYAN-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000482561263 296131158 /nfs/dbraw/zinc/13/11/58/296131158.db2.gz ZROLJYIQLQMAAJ-LSDHHAIUSA-N 2 2 274.452 3.425 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000482561263 296131159 /nfs/dbraw/zinc/13/11/59/296131159.db2.gz ZROLJYIQLQMAAJ-LSDHHAIUSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000036939865 369041502 /nfs/dbraw/zinc/04/15/02/369041502.db2.gz LLRKIOYFILPTBV-UHFFFAOYSA-N 2 2 284.407 3.157 20 0 CGADLP CC(C)COCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035017534 368991258 /nfs/dbraw/zinc/99/12/58/368991258.db2.gz GQAQWDHJZMWPNC-UHFFFAOYSA-N 2 2 287.407 3.025 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000037157515 369072603 /nfs/dbraw/zinc/07/26/03/369072603.db2.gz YUKDYHDAVKHCQM-UWVGGRQHSA-N 2 2 269.801 3.337 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000037156990 369072664 /nfs/dbraw/zinc/07/26/64/369072664.db2.gz LOPNANFDEAGOPS-RYUDHWBXSA-N 2 2 295.333 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000037157247 369073380 /nfs/dbraw/zinc/07/33/80/369073380.db2.gz PROXLQBORMMRRY-NWDGAFQWSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000037158256 369073947 /nfs/dbraw/zinc/07/39/47/369073947.db2.gz FOGFIIXGQLRIFW-YGONEPDPSA-N 2 2 289.810 3.461 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037213925 369076608 /nfs/dbraw/zinc/07/66/08/369076608.db2.gz JRPALIGFNOLCPH-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037213925 369076613 /nfs/dbraw/zinc/07/66/13/369076613.db2.gz JRPALIGFNOLCPH-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000037487257 369086007 /nfs/dbraw/zinc/08/60/07/369086007.db2.gz GLIBHKDMEUFKPS-LBPRGKRZSA-N 2 2 270.804 3.287 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000037487257 369086013 /nfs/dbraw/zinc/08/60/13/369086013.db2.gz GLIBHKDMEUFKPS-LBPRGKRZSA-N 2 2 270.804 3.287 20 0 CGADLP Clc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000037507823 369087507 /nfs/dbraw/zinc/08/75/07/369087507.db2.gz GPLCNPYPBOPVAN-UHFFFAOYSA-N 2 2 291.782 3.087 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037509467 369088131 /nfs/dbraw/zinc/08/81/31/369088131.db2.gz VEMDYARSOXMQEP-UHFFFAOYSA-N 2 2 270.804 3.287 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000037997016 369136204 /nfs/dbraw/zinc/13/62/04/369136204.db2.gz PBTOCXCZRGFGKX-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000037997016 369136211 /nfs/dbraw/zinc/13/62/11/369136211.db2.gz PBTOCXCZRGFGKX-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000037996438 369136293 /nfs/dbraw/zinc/13/62/93/369136293.db2.gz GQUVEYRUDYHFBL-LLVKDONJSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027490 369169068 /nfs/dbraw/zinc/16/90/68/369169068.db2.gz QZWMWRCQADBGMZ-MFKMUULPSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027490 369169072 /nfs/dbraw/zinc/16/90/72/369169072.db2.gz QZWMWRCQADBGMZ-MFKMUULPSA-N 2 2 272.314 3.190 20 0 CGADLP CCCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119637 369174763 /nfs/dbraw/zinc/17/47/63/369174763.db2.gz VIANVFUESXTNIL-INIZCTEOSA-N 2 2 257.381 3.404 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666486 244310192 /nfs/dbraw/zinc/31/01/92/244310192.db2.gz PVKRMSLIIVJWPV-BZNIZROVSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000494666486 244310195 /nfs/dbraw/zinc/31/01/95/244310195.db2.gz PVKRMSLIIVJWPV-BZNIZROVSA-N 2 2 296.817 3.094 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000045664227 369283788 /nfs/dbraw/zinc/28/37/88/369283788.db2.gz SCHTVVLYOUPXCC-LBPRGKRZSA-N 2 2 254.443 3.303 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000494915447 244331591 /nfs/dbraw/zinc/33/15/91/244331591.db2.gz CRJJTZWWTHLUPM-HEHGZKQESA-N 2 2 271.408 3.369 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000050401289 369438131 /nfs/dbraw/zinc/43/81/31/369438131.db2.gz ASNVLMYZEIHFAT-IAGOWNOFSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000050401289 369438138 /nfs/dbraw/zinc/43/81/38/369438138.db2.gz ASNVLMYZEIHFAT-IAGOWNOFSA-N 2 2 260.425 3.429 20 0 CGADLP Fc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000066887603 369708882 /nfs/dbraw/zinc/70/88/82/369708882.db2.gz XNYTYLUSEMTAET-UHFFFAOYSA-N 2 2 299.324 3.440 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC000072858353 369840884 /nfs/dbraw/zinc/84/08/84/369840884.db2.gz RBIVQWZIPFRLSX-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC000072858353 369840893 /nfs/dbraw/zinc/84/08/93/369840893.db2.gz RBIVQWZIPFRLSX-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000072858353 369840897 /nfs/dbraw/zinc/84/08/97/369840897.db2.gz RBIVQWZIPFRLSX-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000072858353 369840901 /nfs/dbraw/zinc/84/09/01/369840901.db2.gz RBIVQWZIPFRLSX-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000072857736 369841952 /nfs/dbraw/zinc/84/19/52/369841952.db2.gz CIKDEVGJVZBYQR-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC000072857736 369841958 /nfs/dbraw/zinc/84/19/58/369841958.db2.gz CIKDEVGJVZBYQR-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072857736 369841964 /nfs/dbraw/zinc/84/19/64/369841964.db2.gz CIKDEVGJVZBYQR-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072857736 369841969 /nfs/dbraw/zinc/84/19/69/369841969.db2.gz CIKDEVGJVZBYQR-CQSZACIVSA-N 2 2 266.816 3.114 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086957563 370023729 /nfs/dbraw/zinc/02/37/29/370023729.db2.gz FAILSCAZFIRRQB-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)[nH]1 ZINC000080984943 369993594 /nfs/dbraw/zinc/99/35/94/369993594.db2.gz VQAJTQUJSODWJW-HNNXBMFYSA-N 2 2 285.391 3.058 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCOc3ccccc3)C2)[nH]1 ZINC000080984943 369993598 /nfs/dbraw/zinc/99/35/98/369993598.db2.gz VQAJTQUJSODWJW-HNNXBMFYSA-N 2 2 285.391 3.058 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667996 370063851 /nfs/dbraw/zinc/06/38/51/370063851.db2.gz YBQDVQKSMRPCEF-HUUCEWRRSA-N 2 2 275.440 3.241 20 0 CGADLP CC[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000093109648 370111675 /nfs/dbraw/zinc/11/16/75/370111675.db2.gz WPYGHGHSUMQWKJ-LSDHHAIUSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093597024 370145297 /nfs/dbraw/zinc/14/52/97/370145297.db2.gz SHBVNLSRMVASIZ-CQSZACIVSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093597024 370145299 /nfs/dbraw/zinc/14/52/99/370145299.db2.gz SHBVNLSRMVASIZ-CQSZACIVSA-N 2 2 293.480 3.184 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)c1ccccc1N(C)C)[NH+]1CCCC1 ZINC000093942219 370165512 /nfs/dbraw/zinc/16/55/12/370165512.db2.gz MZUMJJXOKDXXGK-JKSUJKDBSA-N 2 2 289.467 3.278 20 0 CGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000096970344 370214995 /nfs/dbraw/zinc/21/49/95/370214995.db2.gz ASGHHQXMGJXAKP-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000096970344 370214998 /nfs/dbraw/zinc/21/49/98/370214998.db2.gz ASGHHQXMGJXAKP-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000098170616 370268100 /nfs/dbraw/zinc/26/81/00/370268100.db2.gz MKVUAFQIUOVOTH-GXTWGEPZSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000098170616 370268102 /nfs/dbraw/zinc/26/81/02/370268102.db2.gz MKVUAFQIUOVOTH-GXTWGEPZSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278700 370357584 /nfs/dbraw/zinc/35/75/84/370357584.db2.gz ANONTFYPWLVVIG-ZMLRMANQSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278700 370357588 /nfs/dbraw/zinc/35/75/88/370357588.db2.gz ANONTFYPWLVVIG-ZMLRMANQSA-N 2 2 285.218 3.206 20 0 CGADLP CN(CC[N@H+](C)C1CCCCC1)c1cc[nH+]c(C2CC2)n1 ZINC000112553584 370435064 /nfs/dbraw/zinc/43/50/64/370435064.db2.gz PCYNWCHIDWPOTQ-UHFFFAOYSA-N 2 2 288.439 3.055 20 0 CGADLP CN(CC[N@@H+](C)C1CCCCC1)c1cc[nH+]c(C2CC2)n1 ZINC000112553584 370435069 /nfs/dbraw/zinc/43/50/69/370435069.db2.gz PCYNWCHIDWPOTQ-UHFFFAOYSA-N 2 2 288.439 3.055 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000513008838 245059775 /nfs/dbraw/zinc/05/97/75/245059775.db2.gz LDCXIQRVWNNXHN-ISBHARSQSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000513008838 245059778 /nfs/dbraw/zinc/05/97/78/245059778.db2.gz LDCXIQRVWNNXHN-ISBHARSQSA-N 2 2 278.827 3.427 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC3(C4CC4)CC3)cc2)c[nH+]1 ZINC000130686426 371052073 /nfs/dbraw/zinc/05/20/73/371052073.db2.gz GQXFRAYPIBRPJT-UHFFFAOYSA-N 2 2 267.376 3.152 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cn1 ZINC000130675971 371052193 /nfs/dbraw/zinc/05/21/93/371052193.db2.gz BTKSAUQPTOYSGE-AWEZNQCLSA-N 2 2 297.406 3.005 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CCC2)cc1 ZINC000131861582 371134975 /nfs/dbraw/zinc/13/49/75/371134975.db2.gz YJLCDZAASGZDGW-MRXNPFEDSA-N 2 2 273.355 3.153 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+](CC)CC)o1 ZINC000131474793 371110729 /nfs/dbraw/zinc/11/07/29/371110729.db2.gz GUDAAAQVMNWCLC-ZDUSSCGKSA-N 2 2 252.402 3.225 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131545632 371115256 /nfs/dbraw/zinc/11/52/56/371115256.db2.gz IYQIGTOLVKCQDV-UKRRQHHQSA-N 2 2 273.380 3.258 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000132634629 371189511 /nfs/dbraw/zinc/18/95/11/371189511.db2.gz QQVSZOLEFXFRRN-GUTXKFCHSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000132634629 371189516 /nfs/dbraw/zinc/18/95/16/371189516.db2.gz QQVSZOLEFXFRRN-GUTXKFCHSA-N 2 2 276.399 3.410 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000133159139 371232080 /nfs/dbraw/zinc/23/20/80/371232080.db2.gz RVYCOOJVXPXBLD-NSHDSACASA-N 2 2 289.766 3.461 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000133600237 371265342 /nfs/dbraw/zinc/26/53/42/371265342.db2.gz JAPZKIFEHMSCSR-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000537859863 376205390 /nfs/dbraw/zinc/20/53/90/376205390.db2.gz TWMWYIIBRBCPJK-IIAWOOMASA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000537859863 376205395 /nfs/dbraw/zinc/20/53/95/376205395.db2.gz TWMWYIIBRBCPJK-IIAWOOMASA-N 2 2 250.430 3.266 20 0 CGADLP CCCCOc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000136159572 371463212 /nfs/dbraw/zinc/46/32/12/371463212.db2.gz UBVIVPCNJLLRRP-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCOC4(CCCC4)C3)cc2)c[nH+]1 ZINC000139694626 371508123 /nfs/dbraw/zinc/50/81/23/371508123.db2.gz DOKOMAQNMIHGTQ-UHFFFAOYSA-N 2 2 297.402 3.017 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCOC4(CCCC4)C3)cc2)c[nH+]1 ZINC000139694626 371508129 /nfs/dbraw/zinc/50/81/29/371508129.db2.gz DOKOMAQNMIHGTQ-UHFFFAOYSA-N 2 2 297.402 3.017 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C[N@@H+]1C1CC1 ZINC000286538311 371515800 /nfs/dbraw/zinc/51/58/00/371515800.db2.gz OALYMPAKXWTHJS-WFASDCNBSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C[N@H+]1C1CC1 ZINC000286538311 371515802 /nfs/dbraw/zinc/51/58/02/371515802.db2.gz OALYMPAKXWTHJS-WFASDCNBSA-N 2 2 270.376 3.148 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000149605891 371529558 /nfs/dbraw/zinc/52/95/58/371529558.db2.gz HJMUHPKPKPOOQH-YESZJQIVSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000149605891 371529559 /nfs/dbraw/zinc/52/95/59/371529559.db2.gz HJMUHPKPKPOOQH-YESZJQIVSA-N 2 2 274.383 3.029 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000150893346 371545550 /nfs/dbraw/zinc/54/55/50/371545550.db2.gz WEJAZTAQLZSVNM-CHWSQXEVSA-N 2 2 252.427 3.273 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000421823239 371645653 /nfs/dbraw/zinc/64/56/53/371645653.db2.gz YYJUMEDDQKRECT-VXGBXAGGSA-N 2 2 293.798 3.284 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C(C)(C)O1 ZINC000152261341 371686230 /nfs/dbraw/zinc/68/62/30/371686230.db2.gz ZQHJVDJYRHPRAK-INIZCTEOSA-N 2 2 299.418 3.308 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000337345914 214021390 /nfs/dbraw/zinc/02/13/90/214021390.db2.gz VOIAQUIYDSBOND-UHFFFAOYSA-N 2 2 299.418 3.244 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000153823797 371791416 /nfs/dbraw/zinc/79/14/16/371791416.db2.gz HUJWSBKSECIPMO-OAHLLOKOSA-N 2 2 282.497 3.126 20 0 CGADLP CCCOCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422696630 371757852 /nfs/dbraw/zinc/75/78/52/371757852.db2.gz SFAKRIOWYHUOEK-YJBOKZPZSA-N 2 2 290.451 3.233 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422734457 371775759 /nfs/dbraw/zinc/77/57/59/371775759.db2.gz SIRIJMHHWSOXNR-JKSUJKDBSA-N 3 2 291.483 3.223 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000422746915 371781463 /nfs/dbraw/zinc/78/14/63/371781463.db2.gz XNCZYHQVNUTLTM-SJCJKPOMSA-N 2 2 285.435 3.181 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422825632 371831535 /nfs/dbraw/zinc/83/15/35/371831535.db2.gz JYKXKUIVSFZWTH-RHSMWYFYSA-N 2 2 276.424 3.094 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422766529 371794327 /nfs/dbraw/zinc/79/43/27/371794327.db2.gz RSYOGXXWMHMERR-KGLIPLIRSA-N 2 2 297.240 3.069 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422772379 371797225 /nfs/dbraw/zinc/79/72/25/371797225.db2.gz XDAOPPGAWPIBAU-UONOGXRCSA-N 2 2 282.815 3.098 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)on1 ZINC000422783836 371806986 /nfs/dbraw/zinc/80/69/86/371806986.db2.gz LJVOPTSIJVOTKN-NSHDSACASA-N 2 2 288.395 3.237 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000422792668 371811610 /nfs/dbraw/zinc/81/16/10/371811610.db2.gz RINZUXTZTBJOOA-HOTGVXAUSA-N 2 2 285.391 3.091 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422799680 371818744 /nfs/dbraw/zinc/81/87/44/371818744.db2.gz XZPOLIRUUZUAPA-LIRRHRJNSA-N 2 2 298.430 3.469 20 0 CGADLP C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422839845 371835315 /nfs/dbraw/zinc/83/53/15/371835315.db2.gz ROOLCHDUXPUFFB-CZAMWMTLSA-N 2 2 276.399 3.179 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(OCC2CC2)c1 ZINC000422865897 371845049 /nfs/dbraw/zinc/84/50/49/371845049.db2.gz PSOKPVHQWBKDSZ-PBHICJAKSA-N 2 2 288.435 3.014 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880648 371852113 /nfs/dbraw/zinc/85/21/13/371852113.db2.gz XJAXWBXQZRCUQA-LYRGGWFBSA-N 2 2 282.378 3.392 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422888153 371855775 /nfs/dbraw/zinc/85/57/75/371855775.db2.gz MGQMWXNNKYHBAH-SNVBAGLBSA-N 2 2 291.782 3.007 20 0 CGADLP C[C@H](CCCC[NH3+])Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422921505 371871214 /nfs/dbraw/zinc/87/12/14/371871214.db2.gz QFGFWLBYSUVPIU-CQSZACIVSA-N 2 2 276.428 3.001 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)c1c[nH+]ccc1N ZINC000422947559 371886824 /nfs/dbraw/zinc/88/68/24/371886824.db2.gz YKIDAEKFARUFPD-QMMMGPOBSA-N 2 2 267.785 3.060 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000344102041 217049923 /nfs/dbraw/zinc/04/99/23/217049923.db2.gz DWOWNCRHFONIFD-SCLBCKFNSA-N 2 2 298.430 3.356 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000344102041 217049926 /nfs/dbraw/zinc/04/99/26/217049926.db2.gz DWOWNCRHFONIFD-SCLBCKFNSA-N 2 2 298.430 3.356 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423058642 371939514 /nfs/dbraw/zinc/93/95/14/371939514.db2.gz JWZXCWWKTMMANT-RDJZCZTQSA-N 2 2 289.467 3.151 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000422973420 371897872 /nfs/dbraw/zinc/89/78/72/371897872.db2.gz OMLXXGODJXFUNW-IRXDYDNUSA-N 2 2 297.402 3.103 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000422979494 371898758 /nfs/dbraw/zinc/89/87/58/371898758.db2.gz MXDIDEBPFYGREO-SJORKVTESA-N 2 2 297.402 3.105 20 0 CGADLP CSc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000422990823 371905915 /nfs/dbraw/zinc/90/59/15/371905915.db2.gz OFNBYZLGMALYCQ-HUUCEWRRSA-N 2 2 285.416 3.038 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166904 371919264 /nfs/dbraw/zinc/91/92/64/371919264.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166904 371919270 /nfs/dbraw/zinc/91/92/70/371919270.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166904 371919275 /nfs/dbraw/zinc/91/92/75/371919275.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166904 371919282 /nfs/dbraw/zinc/91/92/82/371919282.db2.gz YAYYDZYPIYUSQM-SDCXRFKSSA-N 2 2 294.389 3.393 20 0 CGADLP CCCCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000423033989 371926682 /nfs/dbraw/zinc/92/66/82/371926682.db2.gz ZZVLENPWFKNWRW-RDJZCZTQSA-N 2 2 292.471 3.002 20 0 CGADLP C[C@@H](CCC[NH3+])[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000423041553 371929035 /nfs/dbraw/zinc/92/90/35/371929035.db2.gz JLONOKUJFPBWDS-UWVGGRQHSA-N 2 2 254.340 3.071 20 0 CGADLP CC[C@@H]([NH2+]Cc1c(F)cccc1SC)[C@@H]1CCC[NH2+]1 ZINC000423114175 371975479 /nfs/dbraw/zinc/97/54/79/371975479.db2.gz ZYARFFBZEVXMGV-KGLIPLIRSA-N 2 2 282.428 3.168 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156439184 371978361 /nfs/dbraw/zinc/97/83/61/371978361.db2.gz FXNNNROJDZMXNN-FUHWJXTLSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156439184 371978368 /nfs/dbraw/zinc/97/83/68/371978368.db2.gz FXNNNROJDZMXNN-FUHWJXTLSA-N 2 2 283.419 3.317 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423139400 371986116 /nfs/dbraw/zinc/98/61/16/371986116.db2.gz ZSYRLJBOXRULQJ-ZFWWWQNUSA-N 2 2 293.455 3.336 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423139399 371986331 /nfs/dbraw/zinc/98/63/31/371986331.db2.gz ZSYRLJBOXRULQJ-UKRRQHHQSA-N 2 2 293.455 3.336 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423150499 371992276 /nfs/dbraw/zinc/99/22/76/371992276.db2.gz ZFVQNAWHCJXNAL-IIYDPXPESA-N 2 2 258.409 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000290459886 371993545 /nfs/dbraw/zinc/99/35/45/371993545.db2.gz MZSLWXLNHBCIBV-UHFFFAOYSA-N 2 2 281.403 3.382 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000290471431 371996703 /nfs/dbraw/zinc/99/67/03/371996703.db2.gz UTVKQBBUFRSSCA-ZCNNSNEGSA-N 2 2 292.426 3.498 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423072147 371947231 /nfs/dbraw/zinc/94/72/31/371947231.db2.gz GUZCQEUQLLASJC-MAUKXSAKSA-N 2 2 296.414 3.278 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423188283 372015177 /nfs/dbraw/zinc/01/51/77/372015177.db2.gz LNBRONCQSUGQIO-OLZOCXBDSA-N 2 2 288.391 3.152 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000423200884 372024953 /nfs/dbraw/zinc/02/49/53/372024953.db2.gz GUGVYYQCCGRPPX-BXUZGUMPSA-N 2 2 285.218 3.396 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423208267 372029867 /nfs/dbraw/zinc/02/98/67/372029867.db2.gz SOMHPCBAYVYDEF-QAPCUYQASA-N 2 2 296.414 3.278 20 0 CGADLP C[C@@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)[NH+](C)C ZINC000344161117 217079892 /nfs/dbraw/zinc/07/98/92/217079892.db2.gz GAPZYIQWJPAQRX-WMLDXEAASA-N 2 2 260.425 3.458 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423211201 372032867 /nfs/dbraw/zinc/03/28/67/372032867.db2.gz IGSYZUSYVHTPJX-LSDHHAIUSA-N 2 2 264.800 3.133 20 0 CGADLP c1cc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc2c1[NH2+]CC2 ZINC000423214970 372033851 /nfs/dbraw/zinc/03/38/51/372033851.db2.gz MDAVXEIYENHKDO-CGTJXYLNSA-N 2 2 285.435 3.377 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423225923 372041375 /nfs/dbraw/zinc/04/13/75/372041375.db2.gz OTMPYBJPBFAYFC-HNNXBMFYSA-N 2 2 260.381 3.329 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423362157 372056721 /nfs/dbraw/zinc/05/67/21/372056721.db2.gz MUSIBFQDRWUUES-AFAVFJNCSA-N 2 2 288.435 3.005 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1F ZINC000423176867 372006909 /nfs/dbraw/zinc/00/69/09/372006909.db2.gz IEDZRMMWQVXISL-NSHDSACASA-N 2 2 268.351 3.277 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423176872 372007116 /nfs/dbraw/zinc/00/71/16/372007116.db2.gz IEUZAZWEAOJRAX-HNNXBMFYSA-N 3 2 298.434 3.185 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423180548 372008739 /nfs/dbraw/zinc/00/87/39/372008739.db2.gz FFCLGCKCORKHMR-MJGOQNOKSA-N 2 2 298.405 3.451 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423179197 372009316 /nfs/dbraw/zinc/00/93/16/372009316.db2.gz JEALOTBBABGXGX-JTQLQIEISA-N 2 2 280.318 3.051 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000423188602 372014629 /nfs/dbraw/zinc/01/46/29/372014629.db2.gz LSDVENSIVQZKET-STQMWFEESA-N 2 2 252.427 3.177 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](COC)C1CCCC1 ZINC000423496474 372069816 /nfs/dbraw/zinc/06/98/16/372069816.db2.gz DYYXNPSJAMOAOZ-MSOLQXFVSA-N 2 2 290.451 3.044 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCSC3)cc2)c1C ZINC000291194288 372134962 /nfs/dbraw/zinc/13/49/62/372134962.db2.gz GWSYXABWLZQXCZ-CQSZACIVSA-N 2 2 273.405 3.407 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291199780 372137053 /nfs/dbraw/zinc/13/70/53/372137053.db2.gz LZGWVVZRFMXHOG-KRWDZBQOSA-N 2 2 282.387 3.305 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672032 541867616 /nfs/dbraw/zinc/86/76/16/541867616.db2.gz AVVCYSUSGOPNKR-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672032 541867617 /nfs/dbraw/zinc/86/76/17/541867617.db2.gz AVVCYSUSGOPNKR-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040672794 541869816 /nfs/dbraw/zinc/86/98/16/541869816.db2.gz PBCURADTYHIUJW-OGVSOVDVSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000040672794 541869822 /nfs/dbraw/zinc/86/98/22/541869822.db2.gz PBCURADTYHIUJW-OGVSOVDVSA-N 2 2 278.827 3.270 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401448 372191872 /nfs/dbraw/zinc/19/18/72/372191872.db2.gz MYXYQPSZHXXGKV-UKRRQHHQSA-N 2 2 293.455 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401448 372191876 /nfs/dbraw/zinc/19/18/76/372191876.db2.gz MYXYQPSZHXXGKV-UKRRQHHQSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401448 372191878 /nfs/dbraw/zinc/19/18/78/372191878.db2.gz MYXYQPSZHXXGKV-UKRRQHHQSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428401448 372191880 /nfs/dbraw/zinc/19/18/80/372191880.db2.gz MYXYQPSZHXXGKV-UKRRQHHQSA-N 2 2 293.455 3.269 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000162774389 372421161 /nfs/dbraw/zinc/42/11/61/372421161.db2.gz ILIOHYFAVMXCGS-TYNCELHUSA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000162774389 372421166 /nfs/dbraw/zinc/42/11/66/372421166.db2.gz ILIOHYFAVMXCGS-TYNCELHUSA-N 2 2 296.842 3.167 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761558 372473276 /nfs/dbraw/zinc/47/32/76/372473276.db2.gz JYUSTWWBLSERHI-LSDHHAIUSA-N 2 2 259.397 3.478 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761558 372473280 /nfs/dbraw/zinc/47/32/80/372473280.db2.gz JYUSTWWBLSERHI-LSDHHAIUSA-N 2 2 259.397 3.478 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294197052 372610864 /nfs/dbraw/zinc/61/08/64/372610864.db2.gz KPJJVYRXEMBNLP-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000294197052 372610868 /nfs/dbraw/zinc/61/08/68/372610868.db2.gz KPJJVYRXEMBNLP-DOMZBBRYSA-N 2 2 275.421 3.336 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000168652804 372615246 /nfs/dbraw/zinc/61/52/46/372615246.db2.gz VUXYPJLOSRORIS-ZDUSSCGKSA-N 2 2 267.376 3.131 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000168652804 372615254 /nfs/dbraw/zinc/61/52/54/372615254.db2.gz VUXYPJLOSRORIS-ZDUSSCGKSA-N 2 2 267.376 3.131 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000295140086 372693344 /nfs/dbraw/zinc/69/33/44/372693344.db2.gz ZMIHSSOVDGSOCM-VWPFQQQWSA-N 2 2 286.419 3.114 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000295140086 372693351 /nfs/dbraw/zinc/69/33/51/372693351.db2.gz ZMIHSSOVDGSOCM-VWPFQQQWSA-N 2 2 286.419 3.114 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000171147160 372720470 /nfs/dbraw/zinc/72/04/70/372720470.db2.gz VCJZFKAJIIBVDW-SFHVURJKSA-N 2 2 287.451 3.026 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000171147160 372720476 /nfs/dbraw/zinc/72/04/76/372720476.db2.gz VCJZFKAJIIBVDW-SFHVURJKSA-N 2 2 287.451 3.026 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000435376901 372753217 /nfs/dbraw/zinc/75/32/17/372753217.db2.gz WAAOJOGLAGIZSQ-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000435376901 372753223 /nfs/dbraw/zinc/75/32/23/372753223.db2.gz WAAOJOGLAGIZSQ-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000344553336 217229004 /nfs/dbraw/zinc/22/90/04/217229004.db2.gz LUWBUBWVRKEOFD-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344553336 217229005 /nfs/dbraw/zinc/22/90/05/217229005.db2.gz LUWBUBWVRKEOFD-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[NH2+]CCC[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000435875149 372821482 /nfs/dbraw/zinc/82/14/82/372821482.db2.gz QQZFIJMNSFTDDQ-GFCCVEGCSA-N 2 2 266.816 3.475 20 0 CGADLP C[NH2+]CCC[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000435875149 372821484 /nfs/dbraw/zinc/82/14/84/372821484.db2.gz QQZFIJMNSFTDDQ-GFCCVEGCSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1cccc2[nH+]c(Cn3c[nH+]c4c3C[C@@H](C)[C@H](C)C4)cn21 ZINC000295712997 372885663 /nfs/dbraw/zinc/88/56/63/372885663.db2.gz GGRKLOYMJRNTBA-CHWSQXEVSA-N 2 2 294.402 3.258 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000438185830 372908127 /nfs/dbraw/zinc/90/81/27/372908127.db2.gz FGZRIMYWAPTAIG-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000438185830 372908135 /nfs/dbraw/zinc/90/81/35/372908135.db2.gz FGZRIMYWAPTAIG-CQSZACIVSA-N 2 2 266.404 3.078 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000296086480 373016643 /nfs/dbraw/zinc/01/66/43/373016643.db2.gz SVFSTRFKECBBGC-OAHLLOKOSA-N 2 2 299.418 3.476 20 0 CGADLP C[NH+](CCC[N@@H+](C)CC1CC(F)(F)C1)Cc1ccco1 ZINC000296098881 373020551 /nfs/dbraw/zinc/02/05/51/373020551.db2.gz XCZMSYPSFNNOMX-UHFFFAOYSA-N 2 2 286.366 3.079 20 0 CGADLP C[NH+](CCC[N@H+](C)CC1CC(F)(F)C1)Cc1ccco1 ZINC000296098881 373020556 /nfs/dbraw/zinc/02/05/56/373020556.db2.gz XCZMSYPSFNNOMX-UHFFFAOYSA-N 2 2 286.366 3.079 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CC(F)(F)C1 ZINC000296098881 373020563 /nfs/dbraw/zinc/02/05/63/373020563.db2.gz XCZMSYPSFNNOMX-UHFFFAOYSA-N 2 2 286.366 3.079 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CC(F)(F)C1 ZINC000296098881 373020569 /nfs/dbraw/zinc/02/05/69/373020569.db2.gz XCZMSYPSFNNOMX-UHFFFAOYSA-N 2 2 286.366 3.079 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000442706773 373068017 /nfs/dbraw/zinc/06/80/17/373068017.db2.gz DZGXVPFPZMWGJY-STQMWFEESA-N 2 2 275.421 3.344 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000172845533 373046947 /nfs/dbraw/zinc/04/69/47/373046947.db2.gz YPXYYDMZWFCQMW-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000172845533 373046954 /nfs/dbraw/zinc/04/69/54/373046954.db2.gz YPXYYDMZWFCQMW-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845533 373046962 /nfs/dbraw/zinc/04/69/62/373046962.db2.gz YPXYYDMZWFCQMW-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845533 373046968 /nfs/dbraw/zinc/04/69/68/373046968.db2.gz YPXYYDMZWFCQMW-GHMZBOCLSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296355650 373101864 /nfs/dbraw/zinc/10/18/64/373101864.db2.gz IMWTWWMBAWXHPG-ZIAGYGMSSA-N 2 2 287.407 3.072 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344839522 217328756 /nfs/dbraw/zinc/32/87/56/217328756.db2.gz PTEJUWGTFPYZFB-CRAIPNDOSA-N 2 2 289.467 3.107 20 0 CGADLP CC(C)CCn1cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344839522 217328759 /nfs/dbraw/zinc/32/87/59/217328759.db2.gz PTEJUWGTFPYZFB-CRAIPNDOSA-N 2 2 289.467 3.107 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000296523385 373164472 /nfs/dbraw/zinc/16/44/72/373164472.db2.gz SCUGQGJGXORMDL-YCPHGPKFSA-N 2 2 284.407 3.182 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000296558038 373176321 /nfs/dbraw/zinc/17/63/21/373176321.db2.gz UZISZAVCOIACGW-OAHLLOKOSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)c1ccccc1 ZINC000174438762 373317583 /nfs/dbraw/zinc/31/75/83/373317583.db2.gz OPFXEEPQLIDTSM-OAHLLOKOSA-N 2 2 257.381 3.256 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1Cl ZINC000446810165 373364403 /nfs/dbraw/zinc/36/44/03/373364403.db2.gz MYJUINXAHKRWAX-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1Cl ZINC000446810165 373364408 /nfs/dbraw/zinc/36/44/08/373364408.db2.gz MYJUINXAHKRWAX-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1Cl ZINC000446810165 373364414 /nfs/dbraw/zinc/36/44/14/373364414.db2.gz MYJUINXAHKRWAX-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1Cl ZINC000446810165 373364420 /nfs/dbraw/zinc/36/44/20/373364420.db2.gz MYJUINXAHKRWAX-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000447940682 373528115 /nfs/dbraw/zinc/52/81/15/373528115.db2.gz ORDQANGTOTYGCW-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@H+]1C ZINC000447940682 373528121 /nfs/dbraw/zinc/52/81/21/373528121.db2.gz ORDQANGTOTYGCW-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP CC[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)[NH+]1CCCC1 ZINC000301057587 373642843 /nfs/dbraw/zinc/64/28/43/373642843.db2.gz APABJBOZXKMZHO-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OC)c1 ZINC000353650906 220223781 /nfs/dbraw/zinc/22/37/81/220223781.db2.gz SFHHRTLGJMCIIY-UKRRQHHQSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(OC)c1 ZINC000353650906 220223783 /nfs/dbraw/zinc/22/37/83/220223783.db2.gz SFHHRTLGJMCIIY-UKRRQHHQSA-N 2 2 285.391 3.017 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299916159 373615686 /nfs/dbraw/zinc/61/56/86/373615686.db2.gz HCCPDTJPUOMUMN-AEFFLSMTSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299916159 373615693 /nfs/dbraw/zinc/61/56/93/373615693.db2.gz HCCPDTJPUOMUMN-AEFFLSMTSA-N 2 2 266.388 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293291 373673129 /nfs/dbraw/zinc/67/31/29/373673129.db2.gz ZEOSWHOGSGMOBO-HUUCEWRRSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177293291 373673135 /nfs/dbraw/zinc/67/31/35/373673135.db2.gz ZEOSWHOGSGMOBO-HUUCEWRRSA-N 2 2 284.407 3.278 20 0 CGADLP c1cn(-c2ccc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cc2)c[nH+]1 ZINC000177535216 373690826 /nfs/dbraw/zinc/69/08/26/373690826.db2.gz DDZAHMLUVIWSMG-IRXDYDNUSA-N 2 2 281.403 3.494 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCC3(CCOCC3)C2)c[nH+]1 ZINC000353661799 220233926 /nfs/dbraw/zinc/23/39/26/220233926.db2.gz XNQVPXVBPWGQGM-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCC3(CCOCC3)C2)c[nH+]1 ZINC000353661799 220233928 /nfs/dbraw/zinc/23/39/28/220233928.db2.gz XNQVPXVBPWGQGM-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C)o1 ZINC000178228465 373756242 /nfs/dbraw/zinc/75/62/42/373756242.db2.gz QPELJSJHIRMTFF-OAHLLOKOSA-N 2 2 294.439 3.128 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178330243 373766621 /nfs/dbraw/zinc/76/66/21/373766621.db2.gz WOULYIVNAJYYJC-GJZGRUSLSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178330243 373766625 /nfs/dbraw/zinc/76/66/25/373766625.db2.gz WOULYIVNAJYYJC-GJZGRUSLSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCOC4(CCC4)C3)c[nH+]c12 ZINC000449479832 373767712 /nfs/dbraw/zinc/76/77/12/373767712.db2.gz WJJGCVKOVYQLFK-HNNXBMFYSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cccc(NC[C@H](C2CCCCC2)[NH+](C)C)[nH+]1 ZINC000302254297 373843859 /nfs/dbraw/zinc/84/38/59/373843859.db2.gz XZEJVYSHDYLALS-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP CC(C)CCc1ccc(NC2CC[NH+](C)CC2)[nH+]c1 ZINC000449709933 373850631 /nfs/dbraw/zinc/85/06/31/373850631.db2.gz KWKZBFIKYVEPQK-UHFFFAOYSA-N 2 2 261.413 3.176 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)C2(O)CCCC2)c[nH+]1 ZINC000449741425 373871767 /nfs/dbraw/zinc/87/17/67/373871767.db2.gz UKSMMAULSOVEQI-UHFFFAOYSA-N 2 2 290.451 3.244 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000179964002 373948711 /nfs/dbraw/zinc/94/87/11/373948711.db2.gz OKBZECMPONGNTO-YOEHRIQHSA-N 2 2 269.392 3.105 20 0 CGADLP CCc1ccc2[nH+]ccc(N(C)Cc3[nH]cc[nH+]3)c2c1 ZINC000450336757 374064802 /nfs/dbraw/zinc/06/48/02/374064802.db2.gz BBFVQGPJNPFPFV-UHFFFAOYSA-N 2 2 266.348 3.157 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC000450469979 374153323 /nfs/dbraw/zinc/15/33/23/374153323.db2.gz IDUUQAVHKRBZDT-INIZCTEOSA-N 2 2 259.397 3.156 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000450469979 374153329 /nfs/dbraw/zinc/15/33/29/374153329.db2.gz IDUUQAVHKRBZDT-INIZCTEOSA-N 2 2 259.397 3.156 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000309695556 374192498 /nfs/dbraw/zinc/19/24/98/374192498.db2.gz DWPVIPZERCJQHB-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000309695556 374192505 /nfs/dbraw/zinc/19/25/05/374192505.db2.gz DWPVIPZERCJQHB-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(F)c1F ZINC000181979753 374201295 /nfs/dbraw/zinc/20/12/95/374201295.db2.gz KNMVEDPYNHOZEZ-GFCCVEGCSA-N 2 2 268.351 3.101 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cocn2)cc1 ZINC000182078024 374215157 /nfs/dbraw/zinc/21/51/57/374215157.db2.gz HHHVVEPXFGFTIT-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000182589069 374293988 /nfs/dbraw/zinc/29/39/88/374293988.db2.gz CAVVBSGHDJAEGQ-CQSZACIVSA-N 2 2 278.399 3.440 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182748128 374321688 /nfs/dbraw/zinc/32/16/88/374321688.db2.gz HUMQGXBUWBWVLH-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP COc1ccccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182748128 374321694 /nfs/dbraw/zinc/32/16/94/374321694.db2.gz HUMQGXBUWBWVLH-INIZCTEOSA-N 2 2 285.391 3.119 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000080339042 541923306 /nfs/dbraw/zinc/92/33/06/541923306.db2.gz HPXIJVNDXUSODI-SJLPKXTDSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000080339042 541923310 /nfs/dbraw/zinc/92/33/10/541923310.db2.gz HPXIJVNDXUSODI-SJLPKXTDSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)[N@H+](C)C1CC1 ZINC000328126014 374361045 /nfs/dbraw/zinc/36/10/45/374361045.db2.gz UAOQAGVWVXZAHT-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)[N@@H+](C)C1CC1 ZINC000328126014 374361047 /nfs/dbraw/zinc/36/10/47/374361047.db2.gz UAOQAGVWVXZAHT-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000328568025 374366090 /nfs/dbraw/zinc/36/60/90/374366090.db2.gz OQSDXKKNHLZQHV-JSGCOSHPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000328568025 374366097 /nfs/dbraw/zinc/36/60/97/374366097.db2.gz OQSDXKKNHLZQHV-JSGCOSHPSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000322558150 374353310 /nfs/dbraw/zinc/35/33/10/374353310.db2.gz CJOQPUMVOKGFPW-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000322558150 374353317 /nfs/dbraw/zinc/35/33/17/374353317.db2.gz CJOQPUMVOKGFPW-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262515 374378683 /nfs/dbraw/zinc/37/86/83/374378683.db2.gz STJBMPRFBLFZRR-SJCJKPOMSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000453262515 374378692 /nfs/dbraw/zinc/37/86/92/374378692.db2.gz STJBMPRFBLFZRR-SJCJKPOMSA-N 2 2 276.399 3.133 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000334174238 206142650 /nfs/dbraw/zinc/14/26/50/206142650.db2.gz BYNZKICCEZSGBE-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000334174238 206142653 /nfs/dbraw/zinc/14/26/53/206142653.db2.gz BYNZKICCEZSGBE-CYBMUJFWSA-N 2 2 275.783 3.063 20 0 CGADLP CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000185659394 374707979 /nfs/dbraw/zinc/70/79/79/374707979.db2.gz WWGFGDJHNUELMT-INIZCTEOSA-N 2 2 284.407 3.410 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000334398219 374715352 /nfs/dbraw/zinc/71/53/52/374715352.db2.gz CUIUUEHVOMYMDG-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000334398219 374715357 /nfs/dbraw/zinc/71/53/57/374715357.db2.gz CUIUUEHVOMYMDG-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000464078331 374862829 /nfs/dbraw/zinc/86/28/29/374862829.db2.gz UJONGYLVELVOLV-UHFFFAOYSA-N 2 2 290.373 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000464078331 374862832 /nfs/dbraw/zinc/86/28/32/374862832.db2.gz UJONGYLVELVOLV-UHFFFAOYSA-N 2 2 290.373 3.349 20 0 CGADLP Clc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000334734007 375016375 /nfs/dbraw/zinc/01/63/75/375016375.db2.gz SLSYLVGFYPOUNF-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc21 ZINC000335035306 375085093 /nfs/dbraw/zinc/08/50/93/375085093.db2.gz USFHBEPXSLKKDE-CVEARBPZSA-N 2 2 274.314 3.199 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000474468508 375113641 /nfs/dbraw/zinc/11/36/41/375113641.db2.gz BHQTXZRCUMNKAQ-UHFFFAOYSA-N 2 2 278.415 3.354 20 0 CGADLP CC[N@H+](CCNc1cc(C)cc[nH+]1)CCC(F)(F)F ZINC000491548981 375330294 /nfs/dbraw/zinc/33/02/94/375330294.db2.gz TYRPCNZYZYUNNN-UHFFFAOYSA-N 2 2 275.318 3.076 20 0 CGADLP CC[N@@H+](CCNc1cc(C)cc[nH+]1)CCC(F)(F)F ZINC000491548981 375330298 /nfs/dbraw/zinc/33/02/98/375330298.db2.gz TYRPCNZYZYUNNN-UHFFFAOYSA-N 2 2 275.318 3.076 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCCC13CCCC3)CC2 ZINC000336040710 375640051 /nfs/dbraw/zinc/64/00/51/375640051.db2.gz AHXALDRQYXEGKG-HUUCEWRRSA-N 2 2 273.424 3.291 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000191579848 375641824 /nfs/dbraw/zinc/64/18/24/375641824.db2.gz QHFHUOIIPPYEKU-HNNXBMFYSA-N 2 2 283.485 3.398 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000336100928 375686969 /nfs/dbraw/zinc/68/69/69/375686969.db2.gz NAGIADOLQRDUPP-RYUDHWBXSA-N 2 2 275.783 3.202 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000193150481 375833886 /nfs/dbraw/zinc/83/38/86/375833886.db2.gz DECRJBKFVVKHDZ-PBHICJAKSA-N 2 2 287.451 3.223 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000193150481 375833890 /nfs/dbraw/zinc/83/38/90/375833890.db2.gz DECRJBKFVVKHDZ-PBHICJAKSA-N 2 2 287.451 3.223 20 0 CGADLP CCCNc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000193154721 375833951 /nfs/dbraw/zinc/83/39/51/375833951.db2.gz ACKQQVIYBNNQLN-UHFFFAOYSA-N 2 2 294.402 3.446 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1Cl ZINC000193457499 375879069 /nfs/dbraw/zinc/87/90/69/375879069.db2.gz VKPMQVYDYVGUFE-UHFFFAOYSA-N 2 2 266.816 3.258 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1Cl ZINC000193457499 375879074 /nfs/dbraw/zinc/87/90/74/375879074.db2.gz VKPMQVYDYVGUFE-UHFFFAOYSA-N 2 2 266.816 3.258 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)s1 ZINC000336692632 375907237 /nfs/dbraw/zinc/90/72/37/375907237.db2.gz IOAMTFCSAGBMNM-UHFFFAOYSA-N 2 2 272.845 3.319 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)s1 ZINC000336692632 375907241 /nfs/dbraw/zinc/90/72/41/375907241.db2.gz IOAMTFCSAGBMNM-UHFFFAOYSA-N 2 2 272.845 3.319 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000520660143 375868983 /nfs/dbraw/zinc/86/89/83/375868983.db2.gz GMEQEBBXRKSAST-UHFFFAOYSA-N 2 2 295.477 3.255 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000520660143 375868989 /nfs/dbraw/zinc/86/89/89/375868989.db2.gz GMEQEBBXRKSAST-UHFFFAOYSA-N 2 2 295.477 3.255 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336720486 375920201 /nfs/dbraw/zinc/92/02/01/375920201.db2.gz TXBCCAPEDZGDRR-RVKKMQEKSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000336720486 375920204 /nfs/dbraw/zinc/92/02/04/375920204.db2.gz TXBCCAPEDZGDRR-RVKKMQEKSA-N 2 2 272.436 3.428 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336723798 375920705 /nfs/dbraw/zinc/92/07/05/375920705.db2.gz WOJMQEYICLGRMY-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336723798 375920713 /nfs/dbraw/zinc/92/07/13/375920713.db2.gz WOJMQEYICLGRMY-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000534529643 375991673 /nfs/dbraw/zinc/99/16/73/375991673.db2.gz PGEQJUCWFBSUHE-KURKYZTESA-N 2 2 274.452 3.328 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435258 376004880 /nfs/dbraw/zinc/00/48/80/376004880.db2.gz YYXRLBUWWNKPRG-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435258 376004884 /nfs/dbraw/zinc/00/48/84/376004884.db2.gz YYXRLBUWWNKPRG-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435258 376004889 /nfs/dbraw/zinc/00/48/89/376004889.db2.gz YYXRLBUWWNKPRG-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3Cl)CC[C@@H]21 ZINC000194435258 376004893 /nfs/dbraw/zinc/00/48/93/376004893.db2.gz YYXRLBUWWNKPRG-YPMHNXCESA-N 2 2 284.856 3.318 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000336890545 376021702 /nfs/dbraw/zinc/02/17/02/376021702.db2.gz HKWXITFHMNZGON-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000336890545 376021710 /nfs/dbraw/zinc/02/17/10/376021710.db2.gz HKWXITFHMNZGON-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000534529645 375990553 /nfs/dbraw/zinc/99/05/53/375990553.db2.gz PGEQJUCWFBSUHE-SQNIBIBYSA-N 2 2 274.452 3.328 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000337253966 376167559 /nfs/dbraw/zinc/16/75/59/376167559.db2.gz MCEOOLUIFCJLEY-UHFFFAOYSA-N 2 2 284.403 3.293 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221785837 376220741 /nfs/dbraw/zinc/22/07/41/376220741.db2.gz SBVCLWFYJYSEIO-UHFFFAOYSA-N 2 2 278.440 3.294 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221785837 376220745 /nfs/dbraw/zinc/22/07/45/376220745.db2.gz SBVCLWFYJYSEIO-UHFFFAOYSA-N 2 2 278.440 3.294 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116829 376221404 /nfs/dbraw/zinc/22/14/04/376221404.db2.gz OKNNLQDZKBBWBO-SUMWQHHRSA-N 2 2 276.399 3.208 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116829 376221415 /nfs/dbraw/zinc/22/14/15/376221415.db2.gz OKNNLQDZKBBWBO-SUMWQHHRSA-N 2 2 276.399 3.208 20 0 CGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000338197636 376280133 /nfs/dbraw/zinc/28/01/33/376280133.db2.gz PNNONTYFLKHYSS-MRXNPFEDSA-N 2 2 294.389 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[N@@H+]1C ZINC000338169350 376273561 /nfs/dbraw/zinc/27/35/61/376273561.db2.gz LXWOOLMDSXWRBG-UEKVPHQBSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[N@H+]1C ZINC000338169350 376273565 /nfs/dbraw/zinc/27/35/65/376273565.db2.gz LXWOOLMDSXWRBG-UEKVPHQBSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)[N@H+](C)C1CC1 ZINC000226319608 376352376 /nfs/dbraw/zinc/35/23/76/376352376.db2.gz FASZLNNQZGJAGF-LSDHHAIUSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)[N@@H+](C)C1CC1 ZINC000226319608 376352383 /nfs/dbraw/zinc/35/23/83/376352383.db2.gz FASZLNNQZGJAGF-LSDHHAIUSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000539650992 376323967 /nfs/dbraw/zinc/32/39/67/376323967.db2.gz SXNGWDILSIDYNV-XYPHTWIQSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000539650992 376323974 /nfs/dbraw/zinc/32/39/74/376323974.db2.gz SXNGWDILSIDYNV-XYPHTWIQSA-N 2 2 272.436 3.240 20 0 CGADLP FC1(F)CCC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334276029 206296741 /nfs/dbraw/zinc/29/67/41/206296741.db2.gz CJPMPTKMPKNXIR-GFCCVEGCSA-N 2 2 283.366 3.415 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226413481 376358174 /nfs/dbraw/zinc/35/81/74/376358174.db2.gz YQGXNXAPIZSTQA-XJKSGUPXSA-N 2 2 260.425 3.339 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226413481 376358177 /nfs/dbraw/zinc/35/81/77/376358177.db2.gz YQGXNXAPIZSTQA-XJKSGUPXSA-N 2 2 260.425 3.339 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000540328374 376371752 /nfs/dbraw/zinc/37/17/52/376371752.db2.gz YDACMDMDQKHKMJ-AWEZNQCLSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000228276450 376432438 /nfs/dbraw/zinc/43/24/38/376432438.db2.gz GVDXQOZQPZXRIY-RPVQJOFSSA-N 2 2 270.420 3.353 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000228276450 376432444 /nfs/dbraw/zinc/43/24/44/376432444.db2.gz GVDXQOZQPZXRIY-RPVQJOFSSA-N 2 2 270.420 3.353 20 0 CGADLP CCC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000232867076 376589832 /nfs/dbraw/zinc/58/98/32/376589832.db2.gz WOCNLZFCZYKYIY-UHFFFAOYSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000237552037 376750804 /nfs/dbraw/zinc/75/08/04/376750804.db2.gz HCWRGUGSJPNAQL-AWEZNQCLSA-N 2 2 272.392 3.376 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272352 376804306 /nfs/dbraw/zinc/80/43/06/376804306.db2.gz WRSWTMWAIQWZJB-SEBYTVMXSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272352 376804314 /nfs/dbraw/zinc/80/43/14/376804314.db2.gz WRSWTMWAIQWZJB-SEBYTVMXSA-N 2 2 284.447 3.179 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157754754 542138807 /nfs/dbraw/zinc/13/88/07/542138807.db2.gz WBHYFEFNOBFLCK-UKRRQHHQSA-N 2 2 276.449 3.199 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157754754 542138811 /nfs/dbraw/zinc/13/88/11/542138811.db2.gz WBHYFEFNOBFLCK-UKRRQHHQSA-N 2 2 276.449 3.199 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC[C@H]3C)[nH+]c12 ZINC000156330553 542128044 /nfs/dbraw/zinc/12/80/44/542128044.db2.gz LPWXEUKAIMIHPN-CJNGLKHVSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000156781372 542130114 /nfs/dbraw/zinc/13/01/14/542130114.db2.gz BIQIFDNSJHHXFZ-KXBFYZLASA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000156781372 542130118 /nfs/dbraw/zinc/13/01/18/542130118.db2.gz BIQIFDNSJHHXFZ-KXBFYZLASA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000245747058 376897522 /nfs/dbraw/zinc/89/75/22/376897522.db2.gz GTSWLQFAXDVPJY-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000245747058 376897533 /nfs/dbraw/zinc/89/75/33/376897533.db2.gz GTSWLQFAXDVPJY-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000245724063 376891657 /nfs/dbraw/zinc/89/16/57/376891657.db2.gz IMBRTRBMSINUEG-NYTXWWLZSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000245724063 376891668 /nfs/dbraw/zinc/89/16/68/376891668.db2.gz IMBRTRBMSINUEG-NYTXWWLZSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000245724063 376891679 /nfs/dbraw/zinc/89/16/79/376891679.db2.gz IMBRTRBMSINUEG-NYTXWWLZSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000245724063 376891688 /nfs/dbraw/zinc/89/16/88/376891688.db2.gz IMBRTRBMSINUEG-NYTXWWLZSA-N 2 2 276.424 3.318 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000556873166 376894355 /nfs/dbraw/zinc/89/43/55/376894355.db2.gz VIVAYMIZSJCUTK-SJORKVTESA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000556873166 376894365 /nfs/dbraw/zinc/89/43/65/376894365.db2.gz VIVAYMIZSJCUTK-SJORKVTESA-N 2 2 260.425 3.143 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC(C3CC3)C3CC3)CC2)nc1 ZINC000558070092 376971677 /nfs/dbraw/zinc/97/16/77/376971677.db2.gz WRVGLNHBLIVFLU-UHFFFAOYSA-N 2 2 299.462 3.072 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000556935001 376908839 /nfs/dbraw/zinc/90/88/39/376908839.db2.gz JGTOQTMZTDRHCS-QGZVFWFLSA-N 2 2 298.434 3.074 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000340196626 376947639 /nfs/dbraw/zinc/94/76/39/376947639.db2.gz FHVQIXMKGDYYBJ-GFCCVEGCSA-N 2 2 289.379 3.058 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000557697556 376952824 /nfs/dbraw/zinc/95/28/24/376952824.db2.gz CUDKRTJHIONTFO-PMPSAXMXSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000557697556 376952828 /nfs/dbraw/zinc/95/28/28/376952828.db2.gz CUDKRTJHIONTFO-PMPSAXMXSA-N 2 2 261.413 3.174 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000246387994 377020111 /nfs/dbraw/zinc/02/01/11/377020111.db2.gz KPHMGBBAEWTNIO-CRAIPNDOSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000246387994 377020124 /nfs/dbraw/zinc/02/01/24/377020124.db2.gz KPHMGBBAEWTNIO-CRAIPNDOSA-N 2 2 299.462 3.072 20 0 CGADLP CC1(C)OCC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000340380698 377028917 /nfs/dbraw/zinc/02/89/17/377028917.db2.gz RBAAZZZBMLFDBA-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000558218185 376983446 /nfs/dbraw/zinc/98/34/46/376983446.db2.gz RZSQMGJAPKNYGX-HUUCEWRRSA-N 2 2 271.408 3.291 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340527452 377125960 /nfs/dbraw/zinc/12/59/60/377125960.db2.gz SZEFLMMMZSHZNU-MAZHCROVSA-N 2 2 273.355 3.414 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccncc1F)C(C)C ZINC000340518123 377115473 /nfs/dbraw/zinc/11/54/73/377115473.db2.gz FQJOUYCOLASVPD-CQSZACIVSA-N 2 2 281.419 3.380 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000340485074 377093394 /nfs/dbraw/zinc/09/33/94/377093394.db2.gz DESIYPMIUALSRG-UHFFFAOYSA-N 2 2 286.341 3.066 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCCCOc1ccccc1)CCCC2 ZINC000560276863 377136678 /nfs/dbraw/zinc/13/66/78/377136678.db2.gz QZJPOKDORSTMRB-UHFFFAOYSA-N 2 2 299.418 3.168 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000561353544 377222215 /nfs/dbraw/zinc/22/22/15/377222215.db2.gz GFXNLPXLBBWCRJ-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000561353544 377222220 /nfs/dbraw/zinc/22/22/20/377222220.db2.gz GFXNLPXLBBWCRJ-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000247964378 377249204 /nfs/dbraw/zinc/24/92/04/377249204.db2.gz GPCLHESVUVNRBF-QWHCGFSZSA-N 2 2 295.496 3.261 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000247964378 377249215 /nfs/dbraw/zinc/24/92/15/377249215.db2.gz GPCLHESVUVNRBF-QWHCGFSZSA-N 2 2 295.496 3.261 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562505225 377319179 /nfs/dbraw/zinc/31/91/79/377319179.db2.gz DIEBBSPMLKYFRH-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000562505225 377319187 /nfs/dbraw/zinc/31/91/87/377319187.db2.gz DIEBBSPMLKYFRH-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248538076 377341058 /nfs/dbraw/zinc/34/10/58/377341058.db2.gz AGXYWFNAKQYHJC-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248538076 377341064 /nfs/dbraw/zinc/34/10/64/377341064.db2.gz AGXYWFNAKQYHJC-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248538076 377341075 /nfs/dbraw/zinc/34/10/75/377341075.db2.gz AGXYWFNAKQYHJC-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1oncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248538076 377341083 /nfs/dbraw/zinc/34/10/83/377341083.db2.gz AGXYWFNAKQYHJC-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562058971 377272585 /nfs/dbraw/zinc/27/25/85/377272585.db2.gz YNONARYJHVESAO-AXUOBQJMSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000562058971 377272589 /nfs/dbraw/zinc/27/25/89/377272589.db2.gz YNONARYJHVESAO-AXUOBQJMSA-N 2 2 284.447 3.285 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248200261 377279313 /nfs/dbraw/zinc/27/93/13/377279313.db2.gz YLXYZVYCGUKVEN-GXTWGEPZSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248200261 377279323 /nfs/dbraw/zinc/27/93/23/377279323.db2.gz YLXYZVYCGUKVEN-GXTWGEPZSA-N 2 2 272.392 3.314 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000562777181 377360077 /nfs/dbraw/zinc/36/00/77/377360077.db2.gz NXTOTQNCJZPRFA-OAHLLOKOSA-N 2 2 289.467 3.460 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000562697071 377349221 /nfs/dbraw/zinc/34/92/21/377349221.db2.gz XRALNJKHMCJWHU-UHFFFAOYSA-N 2 2 295.308 3.175 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000265083518 190156735 /nfs/dbraw/zinc/15/67/35/190156735.db2.gz RZJCXLJLAXBIKJ-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000265083518 190156736 /nfs/dbraw/zinc/15/67/36/190156736.db2.gz RZJCXLJLAXBIKJ-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000265083518 190156737 /nfs/dbraw/zinc/15/67/37/190156737.db2.gz RZJCXLJLAXBIKJ-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000265083518 190156738 /nfs/dbraw/zinc/15/67/38/190156738.db2.gz RZJCXLJLAXBIKJ-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C)Cc4ccccc4C3)n2c1 ZINC000092853732 249036819 /nfs/dbraw/zinc/03/68/19/249036819.db2.gz BZHGKOBUGUMFPG-UHFFFAOYSA-N 2 2 291.398 3.290 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000163686747 542167415 /nfs/dbraw/zinc/16/74/15/542167415.db2.gz PRTZQYNDXPIBGA-CVEARBPZSA-N 2 2 296.499 3.292 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000163639246 542167582 /nfs/dbraw/zinc/16/75/82/542167582.db2.gz ZOOQFIVXVZOLTR-SFHVURJKSA-N 2 2 290.451 3.147 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(C)cc2C)CC1 ZINC000163709860 542168516 /nfs/dbraw/zinc/16/85/16/542168516.db2.gz MEHQOOMRBMRGGI-INIZCTEOSA-N 2 2 290.451 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166543294 542175519 /nfs/dbraw/zinc/17/55/19/542175519.db2.gz BPXWXZSSHLZSSI-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166543294 542175522 /nfs/dbraw/zinc/17/55/22/542175522.db2.gz BPXWXZSSHLZSSI-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313259054 249089773 /nfs/dbraw/zinc/08/97/73/249089773.db2.gz XYVMBNVCWKGLOK-CQSZACIVSA-N 2 2 287.407 3.101 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CCC(c3ccccc3)CC2)c1 ZINC000313276712 249089785 /nfs/dbraw/zinc/08/97/85/249089785.db2.gz YYYFJAQTQJMJGR-UHFFFAOYSA-N 2 2 283.419 3.279 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2ccccc2c1 ZINC000313249215 249089853 /nfs/dbraw/zinc/08/98/53/249089853.db2.gz DDBXWOXIBZZYLC-CQSZACIVSA-N 2 2 279.387 3.467 20 0 CGADLP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1c1ccccc1 ZINC000469987880 249165159 /nfs/dbraw/zinc/16/51/59/249165159.db2.gz XOUWPGFYOAQDTF-HOCLYGCPSA-N 2 2 260.425 3.239 20 0 CGADLP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1c1ccccc1 ZINC000469987880 249165161 /nfs/dbraw/zinc/16/51/61/249165161.db2.gz XOUWPGFYOAQDTF-HOCLYGCPSA-N 2 2 260.425 3.239 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)n1C ZINC000514874012 249192541 /nfs/dbraw/zinc/19/25/41/249192541.db2.gz XCPSMSKINCROJK-UHFFFAOYSA-N 2 2 297.324 3.346 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)n1C ZINC000516664312 249240132 /nfs/dbraw/zinc/24/01/32/249240132.db2.gz MRXZFEFURBKAGY-PXAZEXFGSA-N 2 2 269.392 3.142 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340453 249208917 /nfs/dbraw/zinc/20/89/17/249208917.db2.gz AJKRPFPJWMFNIX-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340453 249208919 /nfs/dbraw/zinc/20/89/19/249208919.db2.gz AJKRPFPJWMFNIX-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340453 249208921 /nfs/dbraw/zinc/20/89/21/249208921.db2.gz AJKRPFPJWMFNIX-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)C1 ZINC000515340453 249208923 /nfs/dbraw/zinc/20/89/23/249208923.db2.gz AJKRPFPJWMFNIX-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(c2nccs2)CCCC1 ZINC000517027063 249254770 /nfs/dbraw/zinc/25/47/70/249254770.db2.gz DNWSVPLQILORDQ-UHFFFAOYSA-N 2 2 287.432 3.448 20 0 CGADLP C[N@H+](CCCSc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000573921210 377594435 /nfs/dbraw/zinc/59/44/35/377594435.db2.gz MTKKODVUVUYKFM-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP C[N@@H+](CCCSc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000573921210 377594443 /nfs/dbraw/zinc/59/44/43/377594443.db2.gz MTKKODVUVUYKFM-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251864596 377603065 /nfs/dbraw/zinc/60/30/65/377603065.db2.gz SUFYYLAQZVSWIV-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251864596 377603075 /nfs/dbraw/zinc/60/30/75/377603075.db2.gz SUFYYLAQZVSWIV-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252787615 377664684 /nfs/dbraw/zinc/66/46/84/377664684.db2.gz BVCYHQPWKAMELK-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)CC(C)(C)C)n1C ZINC000574465140 377667859 /nfs/dbraw/zinc/66/78/59/377667859.db2.gz CGINTVFZPZHZAS-LBPRGKRZSA-N 2 2 251.418 3.281 20 0 CGADLP CC(C)c1cc(N2CCC(CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000574695255 377697265 /nfs/dbraw/zinc/69/72/65/377697265.db2.gz GPLUFRAJAKRJEE-UHFFFAOYSA-N 2 2 290.455 3.289 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000181604967 542220164 /nfs/dbraw/zinc/22/01/64/542220164.db2.gz JWABNYPNIJXKEN-MRXNPFEDSA-N 2 2 282.378 3.347 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C(C1CC1)C1CC1 ZINC000574802200 377710800 /nfs/dbraw/zinc/71/08/00/377710800.db2.gz BDCMQUCEMOYBIE-MRXNPFEDSA-N 2 2 258.409 3.027 20 0 CGADLP c1ccc(COc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000261547934 377816076 /nfs/dbraw/zinc/81/60/76/377816076.db2.gz MUXIDWYVMDDQCD-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC000262142822 377889102 /nfs/dbraw/zinc/88/91/02/377889102.db2.gz ZFOHARMXZRQSQN-WFASDCNBSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC000262142822 377889106 /nfs/dbraw/zinc/88/91/06/377889106.db2.gz ZFOHARMXZRQSQN-WFASDCNBSA-N 2 2 272.417 3.194 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)C1 ZINC000343074456 377895425 /nfs/dbraw/zinc/89/54/25/377895425.db2.gz WTHKOPQACAXEHZ-XYJFISCASA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCO[C@@H](C)c2ccccc2)C1 ZINC000343074456 377895429 /nfs/dbraw/zinc/89/54/29/377895429.db2.gz WTHKOPQACAXEHZ-XYJFISCASA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261819608 377857420 /nfs/dbraw/zinc/85/74/20/377857420.db2.gz XUOWUYZZUVGPJM-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261819608 377857425 /nfs/dbraw/zinc/85/74/25/377857425.db2.gz XUOWUYZZUVGPJM-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP CC[C@@H](CSC)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000578920057 378113242 /nfs/dbraw/zinc/11/32/42/378113242.db2.gz VBNGQKXJJHDZNT-HNNXBMFYSA-N 2 2 266.454 3.396 20 0 CGADLP CC[C@@H](CSC)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000578920057 378113247 /nfs/dbraw/zinc/11/32/47/378113247.db2.gz VBNGQKXJJHDZNT-HNNXBMFYSA-N 2 2 266.454 3.396 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343851481 378114127 /nfs/dbraw/zinc/11/41/27/378114127.db2.gz ZIAAMGAGYIEMNK-DTWKUNHWSA-N 2 2 295.374 3.153 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000579220581 378140976 /nfs/dbraw/zinc/14/09/76/378140976.db2.gz JGCTUBKRWVDTBP-ROUUACIJSA-N 2 2 296.414 3.362 20 0 CGADLP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000343816231 378102172 /nfs/dbraw/zinc/10/21/72/378102172.db2.gz WTRDOTCEZYJWPN-YOEHRIQHSA-N 2 2 284.407 3.197 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000268787674 378111023 /nfs/dbraw/zinc/11/10/23/378111023.db2.gz WHRKMPMNQMGWQM-KRWDZBQOSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1ccsc1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000579827256 378199086 /nfs/dbraw/zinc/19/90/86/378199086.db2.gz FAGHHYMGQXDHSK-UHFFFAOYSA-N 2 2 260.406 3.434 20 0 CGADLP Cc1ccsc1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000579827256 378199088 /nfs/dbraw/zinc/19/90/88/378199088.db2.gz FAGHHYMGQXDHSK-UHFFFAOYSA-N 2 2 260.406 3.434 20 0 CGADLP CC[C@H](CSC)[N@H+](C)CCc1cc[nH+]cc1C ZINC000580068974 378220584 /nfs/dbraw/zinc/22/05/84/378220584.db2.gz CIFVHKABUSJBIW-CQSZACIVSA-N 2 2 252.427 3.006 20 0 CGADLP CC[C@H](CSC)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000580068974 378220589 /nfs/dbraw/zinc/22/05/89/378220589.db2.gz CIFVHKABUSJBIW-CQSZACIVSA-N 2 2 252.427 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000268945980 378160723 /nfs/dbraw/zinc/16/07/23/378160723.db2.gz WSFBQNNVJWJIRL-AVGNSLFASA-N 2 2 291.464 3.328 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000344543485 378174666 /nfs/dbraw/zinc/17/46/66/378174666.db2.gz WXJGAQLHDAIUSL-UHFFFAOYSA-N 2 2 296.499 3.434 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269629850 378246044 /nfs/dbraw/zinc/24/60/44/378246044.db2.gz LDXCTUSKEMLJFO-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269629850 378246050 /nfs/dbraw/zinc/24/60/50/378246050.db2.gz LDXCTUSKEMLJFO-HNNXBMFYSA-N 2 2 285.391 3.188 20 0 CGADLP CN(CCC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000583991783 378364588 /nfs/dbraw/zinc/36/45/88/378364588.db2.gz XGXNVTHTJJIAEU-UHFFFAOYSA-N 2 2 298.434 3.047 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000346099307 378463343 /nfs/dbraw/zinc/46/33/43/378463343.db2.gz RHMWUDHORWKAKA-MRXNPFEDSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000346099307 378463351 /nfs/dbraw/zinc/46/33/51/378463351.db2.gz RHMWUDHORWKAKA-MRXNPFEDSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccoc1C ZINC000346118080 378468389 /nfs/dbraw/zinc/46/83/89/378468389.db2.gz CUODBEXKWGBPII-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccoc1C ZINC000346118080 378468395 /nfs/dbraw/zinc/46/83/95/378468395.db2.gz CUODBEXKWGBPII-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP COc1ccsc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271021558 378430540 /nfs/dbraw/zinc/43/05/40/378430540.db2.gz BLZHFDHWXWRAHD-UHFFFAOYSA-N 2 2 282.453 3.061 20 0 CGADLP COc1ccsc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271021558 378430543 /nfs/dbraw/zinc/43/05/43/378430543.db2.gz BLZHFDHWXWRAHD-UHFFFAOYSA-N 2 2 282.453 3.061 20 0 CGADLP CC[C@H](C)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142140 378477847 /nfs/dbraw/zinc/47/78/47/378477847.db2.gz OQHYTUOZWHMTDJ-LBPRGKRZSA-N 2 2 263.410 3.412 20 0 CGADLP CC[C@H](C)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142140 378477855 /nfs/dbraw/zinc/47/78/55/378477855.db2.gz OQHYTUOZWHMTDJ-LBPRGKRZSA-N 2 2 263.410 3.412 20 0 CGADLP c1cn(-c2csc(C[NH+]3CCCCCC3)c2)c[nH+]1 ZINC000346149036 378480754 /nfs/dbraw/zinc/48/07/54/378480754.db2.gz LJXPRZAQIOSOAC-UHFFFAOYSA-N 2 2 261.394 3.310 20 0 CGADLP Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000266112675 190231334 /nfs/dbraw/zinc/23/13/34/190231334.db2.gz KLEYZOZGSZHSJF-AWEZNQCLSA-N 2 2 286.379 3.017 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346219210 378510092 /nfs/dbraw/zinc/51/00/92/378510092.db2.gz ROMSLEQBKSLCBD-CHWSQXEVSA-N 2 2 275.421 3.412 20 0 CGADLP CC(C)c1[nH+]ccn1CCc1[nH+]c2ccccc2n1C ZINC000272406854 378630393 /nfs/dbraw/zinc/63/03/93/378630393.db2.gz FXZXOFWOTKEYSO-UHFFFAOYSA-N 2 2 268.364 3.136 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597896 378638311 /nfs/dbraw/zinc/63/83/11/378638311.db2.gz XKQQIQJDYLZYEH-YOEHRIQHSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597896 378638318 /nfs/dbraw/zinc/63/83/18/378638318.db2.gz XKQQIQJDYLZYEH-YOEHRIQHSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272279069 378602374 /nfs/dbraw/zinc/60/23/74/378602374.db2.gz MMZUVFYDOFMPHB-GJZGRUSLSA-N 2 2 287.407 3.074 20 0 CGADLP CCC(CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272281116 378603623 /nfs/dbraw/zinc/60/36/23/378603623.db2.gz OSLZIACKDRPGIC-UHFFFAOYSA-N 2 2 290.455 3.213 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000637992155 378659489 /nfs/dbraw/zinc/65/94/89/378659489.db2.gz GYFJRWJKTGVMHU-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000637992155 378659495 /nfs/dbraw/zinc/65/94/95/378659495.db2.gz GYFJRWJKTGVMHU-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CCC[NH+]1CCC([NH2+]C2(c3nc(C)cs3)CCC2)CC1 ZINC000346662146 378666438 /nfs/dbraw/zinc/66/64/38/378666438.db2.gz WPVVRZLBHHNGTO-UHFFFAOYSA-N 2 2 293.480 3.295 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000347971157 378742864 /nfs/dbraw/zinc/74/28/64/378742864.db2.gz XDPGPUIJISSDAD-ILXRZTDVSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000347971157 378742866 /nfs/dbraw/zinc/74/28/66/378742866.db2.gz XDPGPUIJISSDAD-ILXRZTDVSA-N 2 2 291.439 3.287 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114289 378704586 /nfs/dbraw/zinc/70/45/86/378704586.db2.gz VHRSSHCWFYRZCR-IUODEOHRSA-N 2 2 297.393 3.181 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114289 378704593 /nfs/dbraw/zinc/70/45/93/378704593.db2.gz VHRSSHCWFYRZCR-IUODEOHRSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114289 378704596 /nfs/dbraw/zinc/70/45/96/378704596.db2.gz VHRSSHCWFYRZCR-IUODEOHRSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)[C@H](C)C1 ZINC000638114289 378704601 /nfs/dbraw/zinc/70/46/01/378704601.db2.gz VHRSSHCWFYRZCR-IUODEOHRSA-N 2 2 297.393 3.181 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)N(C)c1ccccc1 ZINC000347928286 378733021 /nfs/dbraw/zinc/73/30/21/378733021.db2.gz VMOAMVFJCNZLCG-QGZVFWFLSA-N 2 2 297.446 3.437 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000638358288 378776200 /nfs/dbraw/zinc/77/62/00/378776200.db2.gz BFFHBRVUCUEHLL-HRCADAONSA-N 2 2 261.413 3.386 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348083881 378783808 /nfs/dbraw/zinc/78/38/08/378783808.db2.gz KJKCEFDYFFVBFS-RHSMWYFYSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000274183566 378788459 /nfs/dbraw/zinc/78/84/59/378788459.db2.gz DQIJKSYRQWNKJU-HOTGVXAUSA-N 2 2 276.424 3.114 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000638419536 378796551 /nfs/dbraw/zinc/79/65/51/378796551.db2.gz IFLJVKUTVUJZJL-RBVVOMGSSA-N 2 2 267.376 3.008 20 0 CGADLP CO[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CC(C)C ZINC000638418881 378796877 /nfs/dbraw/zinc/79/68/77/378796877.db2.gz GMUDEAJUOQKIPT-MRXNPFEDSA-N 2 2 287.407 3.023 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000638620051 378852597 /nfs/dbraw/zinc/85/25/97/378852597.db2.gz XWHVFFAEZMDNKO-KCQAQPDRSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638620051 378852599 /nfs/dbraw/zinc/85/25/99/378852599.db2.gz XWHVFFAEZMDNKO-KCQAQPDRSA-N 2 2 282.378 3.140 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638567331 378837953 /nfs/dbraw/zinc/83/79/53/378837953.db2.gz ZAIDOFVYDPTXQL-AWEZNQCLSA-N 2 2 287.407 3.038 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3o2)C1 ZINC000638567331 378837960 /nfs/dbraw/zinc/83/79/60/378837960.db2.gz ZAIDOFVYDPTXQL-AWEZNQCLSA-N 2 2 287.407 3.038 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@@H]21 ZINC000348285536 378886408 /nfs/dbraw/zinc/88/64/08/378886408.db2.gz RCKCQBHISQSMGL-DLBZAZTESA-N 2 2 288.435 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)O[C@@H]2CCC[C@@H]21 ZINC000348285536 378886416 /nfs/dbraw/zinc/88/64/16/378886416.db2.gz RCKCQBHISQSMGL-DLBZAZTESA-N 2 2 288.435 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccncc1F ZINC000348290570 378889914 /nfs/dbraw/zinc/88/99/14/378889914.db2.gz PJCXUOVOBKFVBH-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000348304707 378896127 /nfs/dbraw/zinc/89/61/27/378896127.db2.gz OGRZLWWDDIEHMM-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000348334128 378913819 /nfs/dbraw/zinc/91/38/19/378913819.db2.gz NYNPLTDSENKWNE-OAHLLOKOSA-N 2 2 266.816 3.259 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000275551703 378957664 /nfs/dbraw/zinc/95/76/64/378957664.db2.gz CHOLSLAHHWGECS-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000275551703 378957667 /nfs/dbraw/zinc/95/76/67/378957667.db2.gz CHOLSLAHHWGECS-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000347016789 218093682 /nfs/dbraw/zinc/09/36/82/218093682.db2.gz KJWNJMJJSBOCIA-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC000347016789 218093684 /nfs/dbraw/zinc/09/36/84/218093684.db2.gz KJWNJMJJSBOCIA-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000347095713 218119528 /nfs/dbraw/zinc/11/95/28/218119528.db2.gz HQTDXWRFTXZVDC-CQSZACIVSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000347095713 218119531 /nfs/dbraw/zinc/11/95/31/218119531.db2.gz HQTDXWRFTXZVDC-CQSZACIVSA-N 2 2 264.413 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@H](Nc1ccccc1CC[NH+](C)C)C1CC1 ZINC000639089136 379011968 /nfs/dbraw/zinc/01/19/68/379011968.db2.gz NSJPYBZVQZKOHB-QGZVFWFLSA-N 2 2 298.434 3.087 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277085072 379062745 /nfs/dbraw/zinc/06/27/45/379062745.db2.gz FMKXSRWXWJIIOU-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277085072 379062749 /nfs/dbraw/zinc/06/27/49/379062749.db2.gz FMKXSRWXWJIIOU-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1scc(C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000639176053 379096302 /nfs/dbraw/zinc/09/63/02/379096302.db2.gz VLYZGKSYHMTLPR-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP Cc1scc(C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000639176053 379096305 /nfs/dbraw/zinc/09/63/05/379096305.db2.gz VLYZGKSYHMTLPR-UHFFFAOYSA-N 2 2 263.410 3.084 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000277204398 379097814 /nfs/dbraw/zinc/09/78/14/379097814.db2.gz JQUBVKDCYRSPSN-HUUCEWRRSA-N 2 2 293.480 3.393 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150768 379171450 /nfs/dbraw/zinc/17/14/50/379171450.db2.gz NGMXAKBDYJHXJJ-RDJZCZTQSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150768 379171457 /nfs/dbraw/zinc/17/14/57/379171457.db2.gz NGMXAKBDYJHXJJ-RDJZCZTQSA-N 2 2 283.419 3.403 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000349158140 379173497 /nfs/dbraw/zinc/17/34/97/379173497.db2.gz ZMHTVDOAMGDULQ-MRXNPFEDSA-N 2 2 299.418 3.069 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000349158140 379173507 /nfs/dbraw/zinc/17/35/07/379173507.db2.gz ZMHTVDOAMGDULQ-MRXNPFEDSA-N 2 2 299.418 3.069 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000349203202 379189029 /nfs/dbraw/zinc/18/90/29/379189029.db2.gz SLSCGNXSHUPATN-IJEWVQPXSA-N 2 2 269.392 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373061389 379217366 /nfs/dbraw/zinc/21/73/66/379217366.db2.gz WRALOMGUDNUFGJ-UKRRQHHQSA-N 2 2 284.407 3.182 20 0 CGADLP C[N@H+](Cc1ccc(O)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349342040 379238537 /nfs/dbraw/zinc/23/85/37/379238537.db2.gz CUTWEESNGVFSRV-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349342040 379238550 /nfs/dbraw/zinc/23/85/50/379238550.db2.gz CUTWEESNGVFSRV-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000569048480 322232867 /nfs/dbraw/zinc/23/28/67/322232867.db2.gz XCVPALYAAYHWCH-XGUBFFRZSA-N 2 2 252.446 3.416 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000569048480 322232870 /nfs/dbraw/zinc/23/28/70/322232870.db2.gz XCVPALYAAYHWCH-XGUBFFRZSA-N 2 2 252.446 3.416 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000349384409 379261380 /nfs/dbraw/zinc/26/13/80/379261380.db2.gz NVAZHSLFSKCOSG-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccc(F)cc2[nH]1 ZINC000349384409 379261387 /nfs/dbraw/zinc/26/13/87/379261387.db2.gz NVAZHSLFSKCOSG-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)[NH+]1CCCCC1 ZINC000349642662 379325589 /nfs/dbraw/zinc/32/55/89/379325589.db2.gz CFXYVZOIPFCTJS-NSHDSACASA-N 2 2 287.860 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000278285622 379337537 /nfs/dbraw/zinc/33/75/37/379337537.db2.gz AXTDQNXZRXMPMX-KBPBESRZSA-N 2 2 287.432 3.276 20 0 CGADLP c1[nH]c(C2CC[NH+](Cc3nc4ccccc4s3)CC2)c[nH+]1 ZINC000374199699 379392518 /nfs/dbraw/zinc/39/25/18/379392518.db2.gz KVEHTTKXHWJHOC-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3nc4ccccc4s3)CC2)[nH+]1 ZINC000374199699 379392524 /nfs/dbraw/zinc/39/25/24/379392524.db2.gz KVEHTTKXHWJHOC-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP CC[NH+](CC)CC1CC[NH+](CC(F)(F)CC)CC1 ZINC000639451644 379398999 /nfs/dbraw/zinc/39/89/99/379398999.db2.gz GKHFEQQFUGHFSU-UHFFFAOYSA-N 2 2 262.388 3.086 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c(C)[nH+]1 ZINC000639459814 379407018 /nfs/dbraw/zinc/40/70/18/379407018.db2.gz BWMIOXXABUEKCT-CYBMUJFWSA-N 2 2 262.397 3.006 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c(C)[nH+]1 ZINC000639459814 379407026 /nfs/dbraw/zinc/40/70/26/379407026.db2.gz BWMIOXXABUEKCT-CYBMUJFWSA-N 2 2 262.397 3.006 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2cccnc2)c(C)[nH+]1 ZINC000639563766 379476248 /nfs/dbraw/zinc/47/62/48/379476248.db2.gz ZWTMTLLKIXLOBU-ZDUSSCGKSA-N 2 2 255.365 3.253 20 0 CGADLP CC(C)[N@H+](Cc1ccco1)Cc1ncc(C[NH+](C)C)s1 ZINC000347659734 218312198 /nfs/dbraw/zinc/31/21/98/218312198.db2.gz ZOVUDDBWBPPOCF-UHFFFAOYSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[N@@H+](Cc1ccco1)Cc1ncc(C[NH+](C)C)s1 ZINC000347659734 218312199 /nfs/dbraw/zinc/31/21/99/218312199.db2.gz ZOVUDDBWBPPOCF-UHFFFAOYSA-N 2 2 293.436 3.208 20 0 CGADLP Cc1cccc(C[C@@]2(C)CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000640074702 379712799 /nfs/dbraw/zinc/71/27/99/379712799.db2.gz NIHXALSEVOSYKL-LJQANCHMSA-N 2 2 297.446 3.368 20 0 CGADLP Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000640074702 379712807 /nfs/dbraw/zinc/71/28/07/379712807.db2.gz NIHXALSEVOSYKL-LJQANCHMSA-N 2 2 297.446 3.368 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000377748578 379732447 /nfs/dbraw/zinc/73/24/47/379732447.db2.gz SCVIREDMJSALSY-WDEREUQCSA-N 2 2 290.436 3.198 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000377748578 379732455 /nfs/dbraw/zinc/73/24/55/379732455.db2.gz SCVIREDMJSALSY-WDEREUQCSA-N 2 2 290.436 3.198 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000377763378 379737348 /nfs/dbraw/zinc/73/73/48/379737348.db2.gz FMMUIFGMRIGLPZ-HIFRSBDPSA-N 2 2 273.424 3.301 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000267292252 190318672 /nfs/dbraw/zinc/31/86/72/190318672.db2.gz RPLBNOYWGJRNHF-CRAIPNDOSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000267292252 190318673 /nfs/dbraw/zinc/31/86/73/190318673.db2.gz RPLBNOYWGJRNHF-CRAIPNDOSA-N 2 2 284.403 3.280 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267374270 190325152 /nfs/dbraw/zinc/32/51/52/190325152.db2.gz LBZCQLMXQOCKGL-OAHLLOKOSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267374270 190325153 /nfs/dbraw/zinc/32/51/53/190325153.db2.gz LBZCQLMXQOCKGL-OAHLLOKOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000347752780 218346127 /nfs/dbraw/zinc/34/61/27/218346127.db2.gz KMKAARJRKDXZGY-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000347752780 218346129 /nfs/dbraw/zinc/34/61/29/218346129.db2.gz KMKAARJRKDXZGY-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000267530553 190336226 /nfs/dbraw/zinc/33/62/26/190336226.db2.gz RVUOMBKWQHZICH-CRAIPNDOSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000267530553 190336227 /nfs/dbraw/zinc/33/62/27/190336227.db2.gz RVUOMBKWQHZICH-CRAIPNDOSA-N 2 2 284.403 3.422 20 0 CGADLP C[N@H+](CC[NH2+]C1CC(OC(C)(C)C)C1)Cc1ccccc1 ZINC000352557692 379857310 /nfs/dbraw/zinc/85/73/10/379857310.db2.gz QFYHQVNXLPPLDY-UHFFFAOYSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+](CC[NH2+]C1CC(OC(C)(C)C)C1)Cc1ccccc1 ZINC000352557692 379857315 /nfs/dbraw/zinc/85/73/15/379857315.db2.gz QFYHQVNXLPPLDY-UHFFFAOYSA-N 2 2 290.451 3.054 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277383 379896658 /nfs/dbraw/zinc/89/66/58/379896658.db2.gz STJIUEPUNZTGCF-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277383 379896663 /nfs/dbraw/zinc/89/66/63/379896663.db2.gz STJIUEPUNZTGCF-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CCC[N@@H+]1C ZINC000352731232 379929128 /nfs/dbraw/zinc/92/91/28/379929128.db2.gz IEQBUTDGHRKKFN-OXUOGIBSSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)CCC[N@H+]1C ZINC000352731232 379929135 /nfs/dbraw/zinc/92/91/35/379929135.db2.gz IEQBUTDGHRKKFN-OXUOGIBSSA-N 2 2 280.362 3.050 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)o1 ZINC000352806915 379971946 /nfs/dbraw/zinc/97/19/46/379971946.db2.gz BEYZUCDXJAHLKQ-GUTXKFCHSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)o1 ZINC000352806915 379971949 /nfs/dbraw/zinc/97/19/49/379971949.db2.gz BEYZUCDXJAHLKQ-GUTXKFCHSA-N 2 2 276.424 3.124 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352811410 379975845 /nfs/dbraw/zinc/97/58/45/379975845.db2.gz ULADAGZVHVJISM-MZPVMMEZSA-N 2 2 294.389 3.488 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352811410 379975848 /nfs/dbraw/zinc/97/58/48/379975848.db2.gz ULADAGZVHVJISM-MZPVMMEZSA-N 2 2 294.389 3.488 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000352814097 379977239 /nfs/dbraw/zinc/97/72/39/379977239.db2.gz KSYGKEVVJLEFEB-UHFFFAOYSA-N 2 2 292.386 3.120 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352736623 379930849 /nfs/dbraw/zinc/93/08/49/379930849.db2.gz HLXXXNBUSQXHRD-UHFFFAOYSA-N 2 2 270.376 3.174 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352736623 379930857 /nfs/dbraw/zinc/93/08/57/379930857.db2.gz HLXXXNBUSQXHRD-UHFFFAOYSA-N 2 2 270.376 3.174 20 0 CGADLP c1cn(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c[nH+]1 ZINC000282531753 379940264 /nfs/dbraw/zinc/94/02/64/379940264.db2.gz VEAVEIOQRZPXSF-BCDXTJNWSA-N 2 2 281.403 3.294 20 0 CGADLP c1cn(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c[nH+]1 ZINC000282531753 379940268 /nfs/dbraw/zinc/94/02/68/379940268.db2.gz VEAVEIOQRZPXSF-BCDXTJNWSA-N 2 2 281.403 3.294 20 0 CGADLP Cc1cccc2[nH+]c(CNc3cc[nH+]c(C)c3Cl)cn21 ZINC000352846545 380000688 /nfs/dbraw/zinc/00/06/88/380000688.db2.gz ADAIRPUJVYHAGA-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000641503684 380019264 /nfs/dbraw/zinc/01/92/64/380019264.db2.gz UXWOGGKQQMQGKE-ZDUSSCGKSA-N 2 2 270.380 3.003 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H](C)C1 ZINC000641792368 380105597 /nfs/dbraw/zinc/10/55/97/380105597.db2.gz SFHBJSPNKZDIEV-OCCSQVGLSA-N 2 2 289.448 3.116 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)[C@H](C)C1 ZINC000641792368 380105604 /nfs/dbraw/zinc/10/56/04/380105604.db2.gz SFHBJSPNKZDIEV-OCCSQVGLSA-N 2 2 289.448 3.116 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353248466 380189601 /nfs/dbraw/zinc/18/96/01/380189601.db2.gz KLHCVBPOFZICCR-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353248466 380189608 /nfs/dbraw/zinc/18/96/08/380189608.db2.gz KLHCVBPOFZICCR-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000268308974 190394232 /nfs/dbraw/zinc/39/42/32/190394232.db2.gz JDDCEQFFBJLBHM-CYBMUJFWSA-N 2 2 261.394 3.166 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccccn2)c[nH+]1 ZINC000353935151 380244571 /nfs/dbraw/zinc/24/45/71/380244571.db2.gz YUNFPDPCSZEDMN-CQSZACIVSA-N 2 2 255.365 3.068 20 0 CGADLP COc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353945494 380247964 /nfs/dbraw/zinc/24/79/64/380247964.db2.gz RRDISUPYYKZHLC-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353608239 380214620 /nfs/dbraw/zinc/21/46/20/380214620.db2.gz IARFRVWFOHPMRS-GXTWGEPZSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353608239 380214623 /nfs/dbraw/zinc/21/46/23/380214623.db2.gz IARFRVWFOHPMRS-GXTWGEPZSA-N 2 2 287.794 3.198 20 0 CGADLP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353906989 380228427 /nfs/dbraw/zinc/22/84/27/380228427.db2.gz BYZJSNYQEOSCBB-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353906989 380228432 /nfs/dbraw/zinc/22/84/32/380228432.db2.gz BYZJSNYQEOSCBB-LSDHHAIUSA-N 2 2 269.392 3.493 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000414495081 380270798 /nfs/dbraw/zinc/27/07/98/380270798.db2.gz BCRMQURPCCOGOL-PBHICJAKSA-N 2 2 276.424 3.116 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOc2ccccc2F)c[nH+]1 ZINC000353925706 380239465 /nfs/dbraw/zinc/23/94/65/380239465.db2.gz FKUXJXNLCCBKFJ-UHFFFAOYSA-N 2 2 288.366 3.130 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643500990 380322204 /nfs/dbraw/zinc/32/22/04/380322204.db2.gz NHTKIPONEYGVTE-GOEBONIOSA-N 2 2 276.424 3.268 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CCC2)o1 ZINC000643501484 380322640 /nfs/dbraw/zinc/32/26/40/380322640.db2.gz IUEOQWCXWNIWFD-GOEBONIOSA-N 2 2 262.397 3.161 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc2c(s1)CCC2 ZINC000643502137 380324177 /nfs/dbraw/zinc/32/41/77/380324177.db2.gz YBFRGYXECZHFDA-WCQYABFASA-N 2 2 264.438 3.030 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643502202 380324188 /nfs/dbraw/zinc/32/41/88/380324188.db2.gz ZQTOZENABALDTJ-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000643505986 380326703 /nfs/dbraw/zinc/32/67/03/380326703.db2.gz GQZXFBZIVPRWKB-CQSZACIVSA-N 2 2 252.789 3.133 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)cc1 ZINC000643507079 380328260 /nfs/dbraw/zinc/32/82/60/380328260.db2.gz RHRBHZWIAOBRCT-KRWDZBQOSA-N 2 2 276.399 3.399 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507339 380330771 /nfs/dbraw/zinc/33/07/71/380330771.db2.gz ZVFIETYONRCLLB-ZDUSSCGKSA-N 2 2 285.218 3.322 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507720 380330881 /nfs/dbraw/zinc/33/08/81/380330881.db2.gz NPSALJWFOAOTGC-SJORKVTESA-N 2 2 258.409 3.213 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000643511435 380333335 /nfs/dbraw/zinc/33/33/35/380333335.db2.gz NIOXRQZIVFWRBZ-GXFFZTMASA-N 2 2 267.442 3.010 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC[C@H]3F)n2c1 ZINC000414507362 380283245 /nfs/dbraw/zinc/28/32/45/380283245.db2.gz ATSGYFMDRCRSTC-ZIAGYGMSSA-N 2 2 261.344 3.013 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H](C)CC(F)(F)F)c[nH+]c12 ZINC000414529008 380302647 /nfs/dbraw/zinc/30/26/47/380302647.db2.gz PBPGIRCKYVPKHC-JTQLQIEISA-N 2 2 285.313 3.321 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467557 380315692 /nfs/dbraw/zinc/31/56/92/380315692.db2.gz UHWATQSEDWKNQS-RCBQFDQVSA-N 2 2 296.842 3.148 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467556 380315814 /nfs/dbraw/zinc/31/58/14/380315814.db2.gz UHWATQSEDWKNQS-MAZHCROVSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000414674706 380365787 /nfs/dbraw/zinc/36/57/87/380365787.db2.gz FARIIRDADBIDGL-WFASDCNBSA-N 2 2 252.377 3.192 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000414674706 380365789 /nfs/dbraw/zinc/36/57/89/380365789.db2.gz FARIIRDADBIDGL-WFASDCNBSA-N 2 2 252.377 3.192 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414673395 380365808 /nfs/dbraw/zinc/36/58/08/380365808.db2.gz CEBUGDKCIGSONB-INIZCTEOSA-N 2 2 276.424 3.220 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000414673395 380365813 /nfs/dbraw/zinc/36/58/13/380365813.db2.gz CEBUGDKCIGSONB-INIZCTEOSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000414679115 380369400 /nfs/dbraw/zinc/36/94/00/380369400.db2.gz LCZJSUNPRINOGO-GJZGRUSLSA-N 2 2 296.480 3.103 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000414679115 380369408 /nfs/dbraw/zinc/36/94/08/380369408.db2.gz LCZJSUNPRINOGO-GJZGRUSLSA-N 2 2 296.480 3.103 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000414715954 380385923 /nfs/dbraw/zinc/38/59/23/380385923.db2.gz XOXUNVXRLIACAN-CQSZACIVSA-N 2 2 266.816 3.292 20 0 CGADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1cccc(O)c1 ZINC000414741071 380390772 /nfs/dbraw/zinc/39/07/72/380390772.db2.gz GZXYOLUWKMRDJK-UKRRQHHQSA-N 2 2 264.413 3.149 20 0 CGADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)c1cccc(O)c1 ZINC000414741071 380390776 /nfs/dbraw/zinc/39/07/76/380390776.db2.gz GZXYOLUWKMRDJK-UKRRQHHQSA-N 2 2 264.413 3.149 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000414765458 380394617 /nfs/dbraw/zinc/39/46/17/380394617.db2.gz GBKPLHAJTWLBFV-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000414765458 380394623 /nfs/dbraw/zinc/39/46/23/380394623.db2.gz GBKPLHAJTWLBFV-HNAYVOBHSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000643528263 380344171 /nfs/dbraw/zinc/34/41/71/380344171.db2.gz GFXHVSNYVVFFPK-JOYOIKCWSA-N 2 2 270.829 3.204 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000414654681 380353594 /nfs/dbraw/zinc/35/35/94/380353594.db2.gz GKGOPBUWOLLHSJ-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000414654681 380353601 /nfs/dbraw/zinc/35/36/01/380353601.db2.gz GKGOPBUWOLLHSJ-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP COc1ccc([C@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)cc1 ZINC000414666670 380360225 /nfs/dbraw/zinc/36/02/25/380360225.db2.gz GOQVPPVGMAJIBU-MRXNPFEDSA-N 2 2 276.424 3.220 20 0 CGADLP COc1ccc([C@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)cc1 ZINC000414666670 380360229 /nfs/dbraw/zinc/36/02/29/380360229.db2.gz GOQVPPVGMAJIBU-MRXNPFEDSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](C)Oc2ccccc2)c[nH+]1 ZINC000354421577 380432422 /nfs/dbraw/zinc/43/24/22/380432422.db2.gz RRVZWEVSSQIZCB-INIZCTEOSA-N 2 2 284.403 3.380 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000414834400 380442563 /nfs/dbraw/zinc/44/25/63/380442563.db2.gz QQURUVBQSIGRDZ-SJORKVTESA-N 2 2 286.806 3.097 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000354449612 380443228 /nfs/dbraw/zinc/44/32/28/380443228.db2.gz AMLMEHGCPIVFAY-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000414835826 380444510 /nfs/dbraw/zinc/44/45/10/380444510.db2.gz IPVNUKBZGZXNJU-CYBMUJFWSA-N 2 2 289.448 3.064 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000414840446 380447726 /nfs/dbraw/zinc/44/77/26/380447726.db2.gz XCBUEOWDHRFOOS-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP COC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414843659 380450000 /nfs/dbraw/zinc/45/00/00/380450000.db2.gz JYVWQSDRACQTSP-DAWZGUTISA-N 2 2 290.451 3.357 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414849931 380451579 /nfs/dbraw/zinc/45/15/79/380451579.db2.gz YJMUNXZSAGBDRW-UHFFFAOYSA-N 2 2 276.424 3.225 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000414774631 380398442 /nfs/dbraw/zinc/39/84/42/380398442.db2.gz YQRRHLCCOPUUGG-JSGCOSHPSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CC[C@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000414774631 380398451 /nfs/dbraw/zinc/39/84/51/380398451.db2.gz YQRRHLCCOPUUGG-JSGCOSHPSA-N 2 2 288.391 3.001 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799484 380413204 /nfs/dbraw/zinc/41/32/04/380413204.db2.gz DSJKGDPNLAZANQ-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000414805197 380418052 /nfs/dbraw/zinc/41/80/52/380418052.db2.gz AFZFOEZQSYGOTF-SECBINFHSA-N 2 2 281.812 3.106 20 0 CGADLP COc1cccc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414806222 380418643 /nfs/dbraw/zinc/41/86/43/380418643.db2.gz MRWKRARROSYYNS-UHFFFAOYSA-N 2 2 276.424 3.097 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414807721 380420576 /nfs/dbraw/zinc/42/05/76/380420576.db2.gz CYYXPPCOKQYQRF-LLVKDONJSA-N 2 2 258.768 3.086 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414810320 380422429 /nfs/dbraw/zinc/42/24/29/380422429.db2.gz HVOFETKXWIAEJT-CQSZACIVSA-N 2 2 289.448 3.417 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414909004 380485768 /nfs/dbraw/zinc/48/57/68/380485768.db2.gz BRHZVNBDFVBWDA-RDTXWAMCSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1C(F)(F)F ZINC000414910749 380486362 /nfs/dbraw/zinc/48/63/62/380486362.db2.gz CRTAHCYKDHMDGD-HZMBPMFUSA-N 2 2 286.341 3.101 20 0 CGADLP CC[C@@H](C)C[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935331 380495628 /nfs/dbraw/zinc/49/56/28/380495628.db2.gz FTWXIDOBUUNSBJ-CXAGYDPISA-N 2 2 256.393 3.475 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935333 380496530 /nfs/dbraw/zinc/49/65/30/380496530.db2.gz FTWXIDOBUUNSBJ-DYVFJYSZSA-N 2 2 256.393 3.475 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000414941871 380500756 /nfs/dbraw/zinc/50/07/56/380500756.db2.gz JMBRSJOVYVFDQS-AWEZNQCLSA-N 2 2 276.424 3.083 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCCC1 ZINC000414858028 380459622 /nfs/dbraw/zinc/45/96/22/380459622.db2.gz HMBKGOIXBXUEAN-UHFFFAOYSA-N 3 2 298.434 3.014 20 0 CGADLP CCCC(O)(CCC)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354496326 380459793 /nfs/dbraw/zinc/45/97/93/380459793.db2.gz HMIPGUMOBYPNCD-UHFFFAOYSA-N 2 2 278.440 3.244 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1-c1cccs1 ZINC000414863208 380463555 /nfs/dbraw/zinc/46/35/55/380463555.db2.gz IBPAPVDIXCXSDS-ZDUSSCGKSA-N 2 2 290.407 3.396 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862758 380463901 /nfs/dbraw/zinc/46/39/01/380463901.db2.gz HTWKNVHMVPACAI-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000279118011 194290564 /nfs/dbraw/zinc/29/05/64/194290564.db2.gz LGYZTHDSFRMSLL-GFCCVEGCSA-N 2 2 292.452 3.063 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000414882315 380473708 /nfs/dbraw/zinc/47/37/08/380473708.db2.gz MBHWTOUYRBYSJO-LLVKDONJSA-N 2 2 276.380 3.006 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2([C@@H](C)CCO)CCC2)c[nH+]1 ZINC000354546098 380480429 /nfs/dbraw/zinc/48/04/29/380480429.db2.gz IZHWFFWOUILMEL-HNNXBMFYSA-N 2 2 290.451 3.101 20 0 CGADLP Cc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000416192888 380524960 /nfs/dbraw/zinc/52/49/60/380524960.db2.gz PEXJWTYBOQPMTI-KRWDZBQOSA-N 2 2 297.402 3.330 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000644894094 380541127 /nfs/dbraw/zinc/54/11/27/380541127.db2.gz XMGVFTAFBDBWQL-AJNGGQMLSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000644894094 380541130 /nfs/dbraw/zinc/54/11/30/380541130.db2.gz XMGVFTAFBDBWQL-AJNGGQMLSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCSCC1 ZINC000355120498 380583567 /nfs/dbraw/zinc/58/35/67/380583567.db2.gz KAMUFANLVYTXDF-CJNGLKHVSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCSCC1 ZINC000355120498 380583571 /nfs/dbraw/zinc/58/35/71/380583571.db2.gz KAMUFANLVYTXDF-CJNGLKHVSA-N 2 2 282.497 3.125 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](C4CCC4)CC3)c2c1C ZINC000645255251 380634900 /nfs/dbraw/zinc/63/49/00/380634900.db2.gz VXBWWMGVMBTJJU-UHFFFAOYSA-N 2 2 299.422 3.004 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332843 380596358 /nfs/dbraw/zinc/59/63/58/380596358.db2.gz OYDOWPPIUPGIRY-HZSPNIEDSA-N 2 2 278.465 3.314 20 0 CGADLP FC(F)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000355148803 380599095 /nfs/dbraw/zinc/59/90/95/380599095.db2.gz IVAQTULRUXCWTQ-UHFFFAOYSA-N 2 2 283.347 3.069 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000417353043 380603968 /nfs/dbraw/zinc/60/39/68/380603968.db2.gz HVEQAZZJXYJELD-HZPDHXFCSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH+](C)C)CC1)CCCO2 ZINC000417359388 380608160 /nfs/dbraw/zinc/60/81/60/380608160.db2.gz VVJXDSVLSQKKNT-INIZCTEOSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cccc(NCCc2cn3c(cccc3C)[nH+]2)[nH+]1 ZINC000645418917 380676188 /nfs/dbraw/zinc/67/61/88/380676188.db2.gz BUMGQMWLFMPIPT-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000355499907 380690238 /nfs/dbraw/zinc/69/02/38/380690238.db2.gz BWQOQQRUPAAESZ-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000355499907 380690243 /nfs/dbraw/zinc/69/02/43/380690243.db2.gz BWQOQQRUPAAESZ-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000418041788 380696451 /nfs/dbraw/zinc/69/64/51/380696451.db2.gz KKRHLUAQKKCQEC-UHFFFAOYSA-N 2 2 292.814 3.230 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000355683533 380750217 /nfs/dbraw/zinc/75/02/17/380750217.db2.gz ODTRIPLVIDUEOF-AWEZNQCLSA-N 2 2 297.358 3.447 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356196733 380793141 /nfs/dbraw/zinc/79/31/41/380793141.db2.gz VHASZYVSEFNCLD-HNNXBMFYSA-N 2 2 292.492 3.382 20 0 CGADLP CSC1(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000356196733 380793143 /nfs/dbraw/zinc/79/31/43/380793143.db2.gz VHASZYVSEFNCLD-HNNXBMFYSA-N 2 2 292.492 3.382 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)[C@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356794801 380875495 /nfs/dbraw/zinc/87/54/95/380875495.db2.gz OWVXUVXXAPYAPD-ZIAGYGMSSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356794801 380875498 /nfs/dbraw/zinc/87/54/98/380875498.db2.gz OWVXUVXXAPYAPD-ZIAGYGMSSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089114 380827003 /nfs/dbraw/zinc/82/70/03/380827003.db2.gz HWPHTJXOUOSASR-ZJIFWQFVSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089114 380827006 /nfs/dbraw/zinc/82/70/06/380827006.db2.gz HWPHTJXOUOSASR-ZJIFWQFVSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccn2cc(CNc3cc[nH+]c(C)c3Cl)[nH+]c2c1 ZINC000357323955 381105482 /nfs/dbraw/zinc/10/54/82/381105482.db2.gz NCDOPZOPYJYPBR-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000357413686 381150328 /nfs/dbraw/zinc/15/03/28/381150328.db2.gz CMSFOMXSQNZWGY-MAUKXSAKSA-N 2 2 290.451 3.468 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801737 207102000 /nfs/dbraw/zinc/10/20/00/207102000.db2.gz PBYOTOQWRIQUAA-ABAIWWIYSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801737 207102002 /nfs/dbraw/zinc/10/20/02/207102002.db2.gz PBYOTOQWRIQUAA-ABAIWWIYSA-N 2 2 290.436 3.040 20 0 CGADLP CC(C)c1cnc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000360170606 381466672 /nfs/dbraw/zinc/46/66/72/381466672.db2.gz ZZHWCDZWWCKTCG-UHFFFAOYSA-N 2 2 295.496 3.478 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(Cl)c1 ZINC000334867433 207215245 /nfs/dbraw/zinc/21/52/45/207215245.db2.gz FLTNBMDLAYOLIQ-QWRGUYRKSA-N 2 2 270.779 3.018 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000361497190 381776903 /nfs/dbraw/zinc/77/69/03/381776903.db2.gz ONWJUWQDJZENAL-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC(C)C)c1cccc(OC)c1 ZINC000236840688 542316005 /nfs/dbraw/zinc/31/60/05/542316005.db2.gz QOIHEFJCSOZTHE-KRWDZBQOSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235510379 542312549 /nfs/dbraw/zinc/31/25/49/542312549.db2.gz NAQAOCLRWMLALC-SMDDNHRTSA-N 2 2 286.341 3.498 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000251911498 542348600 /nfs/dbraw/zinc/34/86/00/542348600.db2.gz XTAHJVSDSRGDRM-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@H]1[NH3+] ZINC000251911498 542348603 /nfs/dbraw/zinc/34/86/03/542348603.db2.gz XTAHJVSDSRGDRM-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000253368136 542352639 /nfs/dbraw/zinc/35/26/39/542352639.db2.gz XADSXPULOQIKLV-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000253368136 542352643 /nfs/dbraw/zinc/35/26/43/542352643.db2.gz XADSXPULOQIKLV-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423462610 532993462 /nfs/dbraw/zinc/99/34/62/532993462.db2.gz KVNKXUIZRHAUBU-VWYCJHECSA-N 2 2 293.411 3.336 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC000411966048 533005274 /nfs/dbraw/zinc/00/52/74/533005274.db2.gz GJAZZERZBPRVBX-PVAVHDDUSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000411966048 533005281 /nfs/dbraw/zinc/00/52/81/533005281.db2.gz GJAZZERZBPRVBX-PVAVHDDUSA-N 2 2 282.472 3.043 20 0 CGADLP FC1(F)CC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000335327696 208201749 /nfs/dbraw/zinc/20/17/49/208201749.db2.gz OTFRAAXZMLWNNL-NSHDSACASA-N 2 2 269.339 3.025 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC[C@H](F)C3)n2c1 ZINC000335372770 208303604 /nfs/dbraw/zinc/30/36/04/208303604.db2.gz PGARKCLEBFNKDN-STQMWFEESA-N 2 2 261.344 3.013 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000289427559 197342091 /nfs/dbraw/zinc/34/20/91/197342091.db2.gz VGGJLCZFSIIWAZ-UHFFFAOYSA-N 2 2 258.409 3.443 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C(C1CC1)C1CC1 ZINC000289427559 197342092 /nfs/dbraw/zinc/34/20/92/197342092.db2.gz VGGJLCZFSIIWAZ-UHFFFAOYSA-N 2 2 258.409 3.443 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770448 220319343 /nfs/dbraw/zinc/31/93/43/220319343.db2.gz UWFPAGLUQVOQJX-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770448 220319346 /nfs/dbraw/zinc/31/93/46/220319346.db2.gz UWFPAGLUQVOQJX-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770448 220319348 /nfs/dbraw/zinc/31/93/48/220319348.db2.gz UWFPAGLUQVOQJX-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2F)C[C@H]1C ZINC000353770448 220319352 /nfs/dbraw/zinc/31/93/52/220319352.db2.gz UWFPAGLUQVOQJX-TZMCWYRMSA-N 2 2 282.378 3.269 20 0 CGADLP COc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289324455 197297991 /nfs/dbraw/zinc/29/79/91/197297991.db2.gz UEOJIDXDEJJTGG-UHFFFAOYSA-N 2 2 284.403 3.164 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286105577 542390158 /nfs/dbraw/zinc/39/01/58/542390158.db2.gz MVXFARUNZBATOB-ZDUSSCGKSA-N 2 2 272.396 3.425 20 0 CGADLP Cc1ccccc1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000289281847 197283663 /nfs/dbraw/zinc/28/36/63/197283663.db2.gz ORFCSGDBGHAMJH-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289257854 197276887 /nfs/dbraw/zinc/27/68/87/197276887.db2.gz NZTWEVPMBNQJDW-CXAGYDPISA-N 2 2 294.402 3.420 20 0 CGADLP CCOC[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289251902 197275726 /nfs/dbraw/zinc/27/57/26/197275726.db2.gz BMGGMYSCCJGBKY-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP CCOC[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289251902 197275727 /nfs/dbraw/zinc/27/57/27/197275727.db2.gz BMGGMYSCCJGBKY-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000289257752 197277755 /nfs/dbraw/zinc/27/77/55/197277755.db2.gz MKGGDVTUUPDTRK-UHFFFAOYSA-N 2 2 275.783 3.161 20 0 CGADLP COc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289205471 197263050 /nfs/dbraw/zinc/26/30/50/197263050.db2.gz ICGRSNAWZPFACU-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423231964 533108600 /nfs/dbraw/zinc/10/86/00/533108600.db2.gz BNAFLKRSXJXYTQ-CXAGYDPISA-N 2 2 270.376 3.046 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000289063033 197225245 /nfs/dbraw/zinc/22/52/45/197225245.db2.gz CBAFHRRPXADUCM-HNNXBMFYSA-N 2 2 284.403 3.166 20 0 CGADLP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000288773634 197162691 /nfs/dbraw/zinc/16/26/91/197162691.db2.gz JVICSTIPCVKUER-JKSUJKDBSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000288773634 197162695 /nfs/dbraw/zinc/16/26/95/197162695.db2.gz JVICSTIPCVKUER-JKSUJKDBSA-N 2 2 296.842 3.101 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000414112808 533175108 /nfs/dbraw/zinc/17/51/08/533175108.db2.gz NKKRJYBRXNXISD-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000414112808 533175114 /nfs/dbraw/zinc/17/51/14/533175114.db2.gz NKKRJYBRXNXISD-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000323706801 542441998 /nfs/dbraw/zinc/44/19/98/542441998.db2.gz JUTDJDAXDFUTQN-MRXNPFEDSA-N 2 2 255.365 3.151 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328335268 542443732 /nfs/dbraw/zinc/44/37/32/542443732.db2.gz IZMGVWZHOJGYQT-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328335268 542443735 /nfs/dbraw/zinc/44/37/35/542443735.db2.gz IZMGVWZHOJGYQT-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(F)(F)C2)n1-c1ccccc1 ZINC000314667096 542436583 /nfs/dbraw/zinc/43/65/83/542436583.db2.gz BGFYYRLXUYSZOD-CYBMUJFWSA-N 2 2 291.345 3.458 20 0 CGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCn1cc[nH+]c1 ZINC000281355063 195208564 /nfs/dbraw/zinc/20/85/64/195208564.db2.gz VSTLVOVSZDGBDO-GFCCVEGCSA-N 2 2 297.324 3.123 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115562 285287506 /nfs/dbraw/zinc/28/75/06/285287506.db2.gz VPAQBMGRIFFEAH-BPCQOVAHSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115562 285287510 /nfs/dbraw/zinc/28/75/10/285287510.db2.gz VPAQBMGRIFFEAH-BPCQOVAHSA-N 2 2 278.362 3.181 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CC[C@@H]3C3CC3)[nH]c2c1 ZINC000348083023 542513669 /nfs/dbraw/zinc/51/36/69/542513669.db2.gz JXJKRKAQUUFKRK-ZIAGYGMSSA-N 2 2 269.392 3.274 20 0 CGADLP CC[NH+](CC)C[C@@H](C)N[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353512522 542557660 /nfs/dbraw/zinc/55/76/60/542557660.db2.gz DKPNWWWLJJIWIO-ZBFHGGJFSA-N 2 2 292.471 3.351 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3c[nH+]c[nH]3)c(C)c2c1 ZINC000358709531 533359277 /nfs/dbraw/zinc/35/92/77/533359277.db2.gz AHSWELBSDYHGPB-LLVKDONJSA-N 2 2 285.347 3.324 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)c1ccccc1 ZINC000437105220 533360614 /nfs/dbraw/zinc/36/06/14/533360614.db2.gz RLZUJQYMECIIAJ-OAHLLOKOSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000423307968 533369655 /nfs/dbraw/zinc/36/96/55/533369655.db2.gz WVQPHWZCGZJSHC-SSDOTTSWSA-N 2 2 277.170 3.003 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423231345 533411214 /nfs/dbraw/zinc/41/12/14/533411214.db2.gz ATNZQBMHMRTHBU-BDJLRTHQSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1F ZINC000423235096 533411371 /nfs/dbraw/zinc/41/13/71/533411371.db2.gz GGEKUBAGRVNCTC-MLGOLLRUSA-N 2 2 258.340 3.176 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389251925 542606911 /nfs/dbraw/zinc/60/69/11/542606911.db2.gz MVOOWJKJRLCQGH-ARWYELJZSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000389251925 542606917 /nfs/dbraw/zinc/60/69/17/542606917.db2.gz MVOOWJKJRLCQGH-ARWYELJZSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000389165757 542607339 /nfs/dbraw/zinc/60/73/39/542607339.db2.gz MNKFVHDKCVWDBC-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC000389165757 542607343 /nfs/dbraw/zinc/60/73/43/542607343.db2.gz MNKFVHDKCVWDBC-HOTGVXAUSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1csc(Cl)c1 ZINC000191105782 130184089 /nfs/dbraw/zinc/18/40/89/130184089.db2.gz HPOSOHNPNNIFHR-SNVBAGLBSA-N 2 2 269.801 3.339 20 0 CGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000050401295 392064536 /nfs/dbraw/zinc/06/45/36/392064536.db2.gz ASNVLMYZEIHFAT-IRXDYDNUSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000050401295 392064540 /nfs/dbraw/zinc/06/45/40/392064540.db2.gz ASNVLMYZEIHFAT-IRXDYDNUSA-N 2 2 260.425 3.429 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]CC1CC1 ZINC000061822538 392129222 /nfs/dbraw/zinc/12/92/22/392129222.db2.gz MSFDKMCGDLWANT-UHFFFAOYSA-N 2 2 250.430 3.032 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000093978091 392240746 /nfs/dbraw/zinc/24/07/46/392240746.db2.gz RBMLALXIDFDJKQ-AVGNSLFASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000093978091 392240748 /nfs/dbraw/zinc/24/07/48/392240748.db2.gz RBMLALXIDFDJKQ-AVGNSLFASA-N 2 2 266.816 3.473 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069382327 392172590 /nfs/dbraw/zinc/17/25/90/392172590.db2.gz PPXVNGKRYIPXLS-ZIAGYGMSSA-N 2 2 292.389 3.429 20 0 CGADLP Cc1cc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)nc(C)[nH+]1 ZINC000436454968 542658761 /nfs/dbraw/zinc/65/87/61/542658761.db2.gz AJPXTJXHWBPJSK-UHFFFAOYSA-N 2 2 296.418 3.474 20 0 CGADLP Cc1cc(Nc2cccc(CC[N@H+](C)C3CC3)c2)nc(C)[nH+]1 ZINC000436454968 542658767 /nfs/dbraw/zinc/65/87/67/542658767.db2.gz AJPXTJXHWBPJSK-UHFFFAOYSA-N 2 2 296.418 3.474 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000113516414 392383687 /nfs/dbraw/zinc/38/36/87/392383687.db2.gz LNWBTSDMBRYVLB-LBPRGKRZSA-N 2 2 286.341 3.089 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000113516414 392383692 /nfs/dbraw/zinc/38/36/92/392383692.db2.gz LNWBTSDMBRYVLB-LBPRGKRZSA-N 2 2 286.341 3.089 20 0 CGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccco3)CC2)C1 ZINC000152036381 392493406 /nfs/dbraw/zinc/49/34/06/392493406.db2.gz WVRSDXYDEPTOCF-HOCLYGCPSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccco1 ZINC000158679445 392574608 /nfs/dbraw/zinc/57/46/08/392574608.db2.gz YMISRLYKVRSNCI-KFWWJZLASA-N 2 2 264.413 3.298 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000301533415 392593347 /nfs/dbraw/zinc/59/33/47/392593347.db2.gz SOOWYSLSASTIPW-UHFFFAOYSA-N 2 2 299.340 3.165 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301708435 392597135 /nfs/dbraw/zinc/59/71/35/392597135.db2.gz HAYCMJDJLYARMZ-WMZOPIPTSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301708435 392597138 /nfs/dbraw/zinc/59/71/38/392597138.db2.gz HAYCMJDJLYARMZ-WMZOPIPTSA-N 2 2 295.430 3.464 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163131498 392600831 /nfs/dbraw/zinc/60/08/31/392600831.db2.gz JZJLRDKLZZZLGO-KBPBESRZSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163131498 392600835 /nfs/dbraw/zinc/60/08/35/392600835.db2.gz JZJLRDKLZZZLGO-KBPBESRZSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000163131498 392600837 /nfs/dbraw/zinc/60/08/37/392600837.db2.gz JZJLRDKLZZZLGO-KBPBESRZSA-N 2 2 295.496 3.491 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH+](C)CC[C@@H]2CCC[N@H+]2C)s1 ZINC000163131498 392600841 /nfs/dbraw/zinc/60/08/41/392600841.db2.gz JZJLRDKLZZZLGO-KBPBESRZSA-N 2 2 295.496 3.491 20 0 CGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000647288065 392638914 /nfs/dbraw/zinc/63/89/14/392638914.db2.gz HQTXOQUMDKEXIK-RHSMWYFYSA-N 2 2 278.440 3.322 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000647304518 392653382 /nfs/dbraw/zinc/65/33/82/392653382.db2.gz RAAJBKORGCLVPN-GDBMZVCRSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000647304518 392653387 /nfs/dbraw/zinc/65/33/87/392653387.db2.gz RAAJBKORGCLVPN-GDBMZVCRSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cscc1Cl ZINC000647506255 392744661 /nfs/dbraw/zinc/74/46/61/392744661.db2.gz ZEPWTMMSTIFRHK-GFCCVEGCSA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cscc1Cl ZINC000647506255 392744663 /nfs/dbraw/zinc/74/46/63/392744663.db2.gz ZEPWTMMSTIFRHK-GFCCVEGCSA-N 2 2 260.834 3.207 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(F)c1F ZINC000375265778 392754577 /nfs/dbraw/zinc/75/45/77/392754577.db2.gz CCIBRNFQIXMQQF-LLVKDONJSA-N 2 2 291.345 3.348 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(C)c1 ZINC000647554168 392769185 /nfs/dbraw/zinc/76/91/85/392769185.db2.gz SIUBVTABFASPNG-MRXNPFEDSA-N 2 2 258.409 3.068 20 0 CGADLP Fc1ccc2oc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000647554245 392769483 /nfs/dbraw/zinc/76/94/83/392769483.db2.gz VCLVZBDSDNLJAP-INIZCTEOSA-N 2 2 288.366 3.336 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647553045 392765658 /nfs/dbraw/zinc/76/56/58/392765658.db2.gz WHEPKUMWZNUTCK-UHFFFAOYSA-N 2 2 264.388 3.183 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364384 392708148 /nfs/dbraw/zinc/70/81/48/392708148.db2.gz ZCGUDTZFNBNTGE-HNNXBMFYSA-N 2 2 294.402 3.239 20 0 CGADLP c1nc(C2CC2)c(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000487282675 542710552 /nfs/dbraw/zinc/71/05/52/542710552.db2.gz WUBLAKSXDHCKEG-UHFFFAOYSA-N 2 2 288.420 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1csc(C)c1 ZINC000647804721 392807014 /nfs/dbraw/zinc/80/70/14/392807014.db2.gz WWSCFISLYWXDGB-UBHSHLNASA-N 2 2 252.427 3.238 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H]2CCSC2)[nH+]1 ZINC000375737069 392812330 /nfs/dbraw/zinc/81/23/30/392812330.db2.gz WCNZLKHTWJCVPO-HUUCEWRRSA-N 2 2 291.464 3.019 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H]2CCSC2)[nH+]1 ZINC000375737069 392812334 /nfs/dbraw/zinc/81/23/34/392812334.db2.gz WCNZLKHTWJCVPO-HUUCEWRRSA-N 2 2 291.464 3.019 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c[nH+]1 ZINC000648048317 392883870 /nfs/dbraw/zinc/88/38/70/392883870.db2.gz YDVNJRFRWLJWSY-ROUUACIJSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c[nH+]1 ZINC000648048317 392883873 /nfs/dbraw/zinc/88/38/73/392883873.db2.gz YDVNJRFRWLJWSY-ROUUACIJSA-N 2 2 288.435 3.214 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000377412521 392884511 /nfs/dbraw/zinc/88/45/11/392884511.db2.gz OCGPRPLFJMLOTH-SUMWQHHRSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000377412521 392884521 /nfs/dbraw/zinc/88/45/21/392884521.db2.gz OCGPRPLFJMLOTH-SUMWQHHRSA-N 2 2 284.407 3.039 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337421535 392884687 /nfs/dbraw/zinc/88/46/87/392884687.db2.gz FSUKLBQHQZDBFP-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337421535 392884696 /nfs/dbraw/zinc/88/46/96/392884696.db2.gz FSUKLBQHQZDBFP-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)CC(F)F)c[nH+]1 ZINC000648052441 392885946 /nfs/dbraw/zinc/88/59/46/392885946.db2.gz LUXJJLVDBNJIFU-NSHDSACASA-N 2 2 256.340 3.204 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCCCC1 ZINC000337386444 392882142 /nfs/dbraw/zinc/88/21/42/392882142.db2.gz HZDLDZATTQSZGH-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP FC1(F)CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000390541258 392926762 /nfs/dbraw/zinc/92/67/62/392926762.db2.gz HIFSCYZGNIVELB-ZDUSSCGKSA-N 2 2 295.377 3.075 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000338786857 392928074 /nfs/dbraw/zinc/92/80/74/392928074.db2.gz NZJZQDNOOXJFTP-OLMNPRSZSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000338786857 392928082 /nfs/dbraw/zinc/92/80/82/392928082.db2.gz NZJZQDNOOXJFTP-OLMNPRSZSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985548 542721730 /nfs/dbraw/zinc/72/17/30/542721730.db2.gz KYVDQRWWVIZFKP-OCCSQVGLSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985548 542721734 /nfs/dbraw/zinc/72/17/34/542721734.db2.gz KYVDQRWWVIZFKP-OCCSQVGLSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985548 542721738 /nfs/dbraw/zinc/72/17/38/542721738.db2.gz KYVDQRWWVIZFKP-OCCSQVGLSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985548 542721741 /nfs/dbraw/zinc/72/17/41/542721741.db2.gz KYVDQRWWVIZFKP-OCCSQVGLSA-N 2 2 293.480 3.183 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000194866108 392943806 /nfs/dbraw/zinc/94/38/06/392943806.db2.gz LYBKFQQYDWMGDT-STQMWFEESA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000194866108 392943812 /nfs/dbraw/zinc/94/38/12/392943812.db2.gz LYBKFQQYDWMGDT-STQMWFEESA-N 2 2 264.438 3.153 20 0 CGADLP CC[C@H]1CCCC[C@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000401649875 392950260 /nfs/dbraw/zinc/95/02/60/392950260.db2.gz KAWZOROCVZPKKH-HOTGVXAUSA-N 2 2 263.429 3.469 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000462070683 392967147 /nfs/dbraw/zinc/96/71/47/392967147.db2.gz AMDWZEVKUPAUKH-KBAYOESNSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000462070683 392967154 /nfs/dbraw/zinc/96/71/54/392967154.db2.gz AMDWZEVKUPAUKH-KBAYOESNSA-N 2 2 274.452 3.470 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000547268776 393101480 /nfs/dbraw/zinc/10/14/80/393101480.db2.gz REZCYTDETKOUEN-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000547268776 393101484 /nfs/dbraw/zinc/10/14/84/393101484.db2.gz REZCYTDETKOUEN-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415034204 393104333 /nfs/dbraw/zinc/10/43/33/393104333.db2.gz CILJYXWVBAUJAD-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415034204 393104343 /nfs/dbraw/zinc/10/43/43/393104343.db2.gz CILJYXWVBAUJAD-ZFWWWQNUSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000648472367 393043688 /nfs/dbraw/zinc/04/36/88/393043688.db2.gz WNAGNISMTHQRQW-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000648472367 393043690 /nfs/dbraw/zinc/04/36/90/393043690.db2.gz WNAGNISMTHQRQW-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(C)cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000546564214 393056591 /nfs/dbraw/zinc/05/65/91/393056591.db2.gz UGODCIJBWRRBEP-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP Cc1cc(C)cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000546564214 393056596 /nfs/dbraw/zinc/05/65/96/393056596.db2.gz UGODCIJBWRRBEP-UHFFFAOYSA-N 2 2 258.409 3.045 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000546578948 393059051 /nfs/dbraw/zinc/05/90/51/393059051.db2.gz FBDHWTHZBBWEOW-UHFFFAOYSA-N 2 2 288.410 3.313 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000546578948 393059057 /nfs/dbraw/zinc/05/90/57/393059057.db2.gz FBDHWTHZBBWEOW-UHFFFAOYSA-N 2 2 288.410 3.313 20 0 CGADLP CC[C@H]1CN(c2cc(C)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000546757419 393073051 /nfs/dbraw/zinc/07/30/51/393073051.db2.gz UKMQAVNUSIQSQN-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP CC[C@H]1CN(c2cc(C)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000546757419 393073056 /nfs/dbraw/zinc/07/30/56/393073056.db2.gz UKMQAVNUSIQSQN-SFHVURJKSA-N 2 2 295.430 3.491 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000546885667 393081294 /nfs/dbraw/zinc/08/12/94/393081294.db2.gz SADPWBGRQNPXNH-LLVKDONJSA-N 2 2 285.313 3.463 20 0 CGADLP c1ccc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)ccc2c1 ZINC000415073178 393129600 /nfs/dbraw/zinc/12/96/00/393129600.db2.gz YANCAKKBPANMOY-QGZVFWFLSA-N 2 2 254.377 3.072 20 0 CGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1c(F)cccc1Cl ZINC000415083705 393137136 /nfs/dbraw/zinc/13/71/36/393137136.db2.gz NMHQBLVUIBKCSX-GHMZBOCLSA-N 2 2 270.779 3.099 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415086703 393139396 /nfs/dbraw/zinc/13/93/96/393139396.db2.gz SNLRNFCMQKDUIA-UWVGGRQHSA-N 2 2 273.207 3.048 20 0 CGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415090583 393140110 /nfs/dbraw/zinc/14/01/10/393140110.db2.gz YBSCYUWNMWHDGZ-VXGBXAGGSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000547736275 393142020 /nfs/dbraw/zinc/14/20/20/393142020.db2.gz JLQKCGPHROKGGT-UHFFFAOYSA-N 2 2 289.423 3.292 20 0 CGADLP Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000547736275 393142024 /nfs/dbraw/zinc/14/20/24/393142024.db2.gz JLQKCGPHROKGGT-UHFFFAOYSA-N 2 2 289.423 3.292 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000353316389 393219601 /nfs/dbraw/zinc/21/96/01/393219601.db2.gz STIKRKZUCJBQSZ-LBPRGKRZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CC1 ZINC000353316389 393219606 /nfs/dbraw/zinc/21/96/06/393219606.db2.gz STIKRKZUCJBQSZ-LBPRGKRZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000629525758 393220012 /nfs/dbraw/zinc/22/00/12/393220012.db2.gz AXUJPXIAYNDRNF-SOUVJXGZSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353611940 393227499 /nfs/dbraw/zinc/22/74/99/393227499.db2.gz PRNHMDOKIFLVOU-IOASZLSFSA-N 2 2 281.403 3.414 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353611940 393227511 /nfs/dbraw/zinc/22/75/11/393227511.db2.gz PRNHMDOKIFLVOU-IOASZLSFSA-N 2 2 281.403 3.414 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328162 393243404 /nfs/dbraw/zinc/24/34/04/393243404.db2.gz ISZHYDVPCHRTIP-ZFWWWQNUSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328162 393243408 /nfs/dbraw/zinc/24/34/08/393243408.db2.gz ISZHYDVPCHRTIP-ZFWWWQNUSA-N 2 2 282.497 3.125 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000354574719 393244758 /nfs/dbraw/zinc/24/47/58/393244758.db2.gz OSGVNDOKIPFBDA-BZSNNMDCSA-N 2 2 290.451 3.084 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC000649287343 393392507 /nfs/dbraw/zinc/39/25/07/393392507.db2.gz SRPCAZHENNQTDG-MRXNPFEDSA-N 2 2 259.397 3.411 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC000649287343 393392510 /nfs/dbraw/zinc/39/25/10/393392510.db2.gz SRPCAZHENNQTDG-MRXNPFEDSA-N 2 2 259.397 3.411 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475345481 393394695 /nfs/dbraw/zinc/39/46/95/393394695.db2.gz BAADOGYPXBKBEN-UNQWWWNPSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000475345481 393394699 /nfs/dbraw/zinc/39/46/99/393394699.db2.gz BAADOGYPXBKBEN-UNQWWWNPSA-N 2 2 290.426 3.392 20 0 CGADLP CC(C)([NH3+])CCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000649333622 393400727 /nfs/dbraw/zinc/40/07/27/393400727.db2.gz HMPQXUXRAQZZBX-UHFFFAOYSA-N 2 2 299.374 3.330 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000279773388 393335945 /nfs/dbraw/zinc/33/59/45/393335945.db2.gz SNOASYXTYKNOHY-ONIAQPFYSA-N 2 2 290.451 3.081 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000279773388 393335951 /nfs/dbraw/zinc/33/59/51/393335951.db2.gz SNOASYXTYKNOHY-ONIAQPFYSA-N 2 2 290.451 3.081 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCn1cc[nH+]c1 ZINC000280954875 393346664 /nfs/dbraw/zinc/34/66/64/393346664.db2.gz JCSBHUJRMBRXCN-KRWDZBQOSA-N 2 2 294.402 3.340 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000474890488 393354142 /nfs/dbraw/zinc/35/41/42/393354142.db2.gz AEPPNZPRMJACFZ-AGIUHOORSA-N 2 2 268.832 3.372 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CC(C)C)cn21 ZINC000647262686 393421301 /nfs/dbraw/zinc/42/13/01/393421301.db2.gz JZZHQPMHHAUCJI-ZDUSSCGKSA-N 2 2 259.397 3.209 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1c1ccccc1F ZINC000420390871 393480577 /nfs/dbraw/zinc/48/05/77/393480577.db2.gz RKJHBDCQYPJUEP-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1c1ccccc1F ZINC000420390871 393480580 /nfs/dbraw/zinc/48/05/80/393480580.db2.gz RKJHBDCQYPJUEP-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C(C)(C)C ZINC000479864209 393434158 /nfs/dbraw/zinc/43/41/58/393434158.db2.gz IHTAWDSGJYNYGO-HOCLYGCPSA-N 2 2 262.441 3.184 20 0 CGADLP [NH3+]CCCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000420229448 393440841 /nfs/dbraw/zinc/44/08/41/393440841.db2.gz GYGLAZMCOOBUOR-UHFFFAOYSA-N 2 2 283.297 3.404 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[C@H]([NH3+])C3)cc[nH+]c12 ZINC000420273602 393447200 /nfs/dbraw/zinc/44/72/00/393447200.db2.gz DXWCQCUKPNXTRK-OLZOCXBDSA-N 2 2 285.391 3.173 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)CCC2 ZINC000487277901 393451370 /nfs/dbraw/zinc/45/13/70/393451370.db2.gz MZNNMKFLTIZGCJ-RDBSUJKOSA-N 2 2 261.413 3.093 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885655 393458908 /nfs/dbraw/zinc/45/89/08/393458908.db2.gz WYOGOCUDLXWKIB-GOEBONIOSA-N 2 2 285.366 3.004 20 0 CGADLP C[C@H]([NH3+])C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315294 393461086 /nfs/dbraw/zinc/46/10/86/393461086.db2.gz LNMWTWVLGHKOHJ-QWRGUYRKSA-N 2 2 252.789 3.213 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000420315294 393461091 /nfs/dbraw/zinc/46/10/91/393461091.db2.gz LNMWTWVLGHKOHJ-QWRGUYRKSA-N 2 2 252.789 3.213 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429036756 393467767 /nfs/dbraw/zinc/46/77/67/393467767.db2.gz REMDFHAPWGAWGA-DLBZAZTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429036756 393467776 /nfs/dbraw/zinc/46/77/76/393467776.db2.gz REMDFHAPWGAWGA-DLBZAZTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429036756 393467789 /nfs/dbraw/zinc/46/77/89/393467789.db2.gz REMDFHAPWGAWGA-DLBZAZTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429036756 393467797 /nfs/dbraw/zinc/46/77/97/393467797.db2.gz REMDFHAPWGAWGA-DLBZAZTESA-N 2 2 294.389 3.444 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000420362145 393474295 /nfs/dbraw/zinc/47/42/95/393474295.db2.gz AMFJRDANCIRZFS-MRXNPFEDSA-N 2 2 289.810 3.024 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cc(F)ccc1F ZINC000420364728 393474725 /nfs/dbraw/zinc/47/47/25/393474725.db2.gz KPJPLLPCRJYREC-JNIYBQFBSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365779 393475108 /nfs/dbraw/zinc/47/51/08/393475108.db2.gz LPFSHMXFIFEVCZ-GYSYKLTISA-N 2 2 268.351 3.100 20 0 CGADLP CCCc1nc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000420376067 393478706 /nfs/dbraw/zinc/47/87/06/393478706.db2.gz UQEINEUWQBPARI-AWEZNQCLSA-N 2 2 281.469 3.093 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2)c1 ZINC000649576502 393496656 /nfs/dbraw/zinc/49/66/56/393496656.db2.gz BCRPHRYGTCAUQM-CRAIPNDOSA-N 2 2 287.451 3.032 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2)c1 ZINC000649576502 393496658 /nfs/dbraw/zinc/49/66/58/393496658.db2.gz BCRPHRYGTCAUQM-CRAIPNDOSA-N 2 2 287.451 3.032 20 0 CGADLP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971156 393503914 /nfs/dbraw/zinc/50/39/14/393503914.db2.gz SZMBGQSBUHWNHW-KZNAEPCWSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971156 393503920 /nfs/dbraw/zinc/50/39/20/393503920.db2.gz SZMBGQSBUHWNHW-KZNAEPCWSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CS1 ZINC000488432433 393510576 /nfs/dbraw/zinc/51/05/76/393510576.db2.gz IPPYTGBXUJVEED-OAGGEKHMSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000488430340 393510698 /nfs/dbraw/zinc/51/06/98/393510698.db2.gz GLXOPMKQBOKOAO-FHERZECASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000488434621 393512041 /nfs/dbraw/zinc/51/20/41/393512041.db2.gz QEHFGJRGZSPAND-HUUCEWRRSA-N 2 2 284.513 3.371 20 0 CGADLP CCC(CC)(C[NH2+]CCCc1ccc(C)[nH+]c1)OC ZINC000430166246 393532095 /nfs/dbraw/zinc/53/20/95/393532095.db2.gz NYLGNUNCMYLVAL-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccns2)cc1 ZINC000624047531 542781024 /nfs/dbraw/zinc/78/10/24/542781024.db2.gz GJEXEXKCIIDRLR-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666759654 542813487 /nfs/dbraw/zinc/81/34/87/542813487.db2.gz FCRMNMHLHNMGBU-ZDUSSCGKSA-N 2 2 291.826 3.495 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768529 542814874 /nfs/dbraw/zinc/81/48/74/542814874.db2.gz IUBYSRDMJVNCED-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632343 393582829 /nfs/dbraw/zinc/58/28/29/393582829.db2.gz YDIWVHPAVIHLNZ-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632343 393582832 /nfs/dbraw/zinc/58/28/32/393582832.db2.gz YDIWVHPAVIHLNZ-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639499 393582861 /nfs/dbraw/zinc/58/28/61/393582861.db2.gz GBVIYZQRKTUZGP-KBPBESRZSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639499 393582865 /nfs/dbraw/zinc/58/28/65/393582865.db2.gz GBVIYZQRKTUZGP-KBPBESRZSA-N 2 2 285.391 3.073 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421031084 393583861 /nfs/dbraw/zinc/58/38/61/393583861.db2.gz ZNUPPIYRLHFUCS-QGZVFWFLSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421031084 393583868 /nfs/dbraw/zinc/58/38/68/393583868.db2.gz ZNUPPIYRLHFUCS-QGZVFWFLSA-N 2 2 283.419 3.231 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000430728042 393590683 /nfs/dbraw/zinc/59/06/83/393590683.db2.gz ZFCSUPMVYHZDBE-ZJIFWQFVSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319480 393679731 /nfs/dbraw/zinc/67/97/31/393679731.db2.gz DLOKTMWPZWHMHR-AUUYWEPGSA-N 2 2 284.447 3.138 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000491319480 393679734 /nfs/dbraw/zinc/67/97/34/393679734.db2.gz DLOKTMWPZWHMHR-AUUYWEPGSA-N 2 2 284.447 3.138 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000423232987 393655893 /nfs/dbraw/zinc/65/58/93/393655893.db2.gz CZHFCOFEGCYWKD-NSNWQYSKSA-N 2 2 260.425 3.444 20 0 CGADLP CC(C)([NH3+])C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423290010 393659551 /nfs/dbraw/zinc/65/95/51/393659551.db2.gz YZMFCWSFOACBCI-LLVKDONJSA-N 2 2 273.207 3.308 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc(C)c1F ZINC000423353453 393662492 /nfs/dbraw/zinc/66/24/92/393662492.db2.gz BSRYKEOYMHWZEP-XEGUGMAKSA-N 2 2 264.388 3.091 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000423341988 393662632 /nfs/dbraw/zinc/66/26/32/393662632.db2.gz YSBNSTAHBFXJQH-CQSZACIVSA-N 2 2 268.351 3.133 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069649 393664863 /nfs/dbraw/zinc/66/48/63/393664863.db2.gz RQWPZMXWROWBGY-QAPCUYQASA-N 2 2 288.435 3.363 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069649 393664868 /nfs/dbraw/zinc/66/48/68/393664868.db2.gz RQWPZMXWROWBGY-QAPCUYQASA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423444775 393667901 /nfs/dbraw/zinc/66/79/01/393667901.db2.gz MCCCYLCTDFWLHO-AUTRQRHGSA-N 2 2 270.829 3.202 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000361099026 393671869 /nfs/dbraw/zinc/67/18/69/393671869.db2.gz VFRFIDRISPLAMC-MCIONIFRSA-N 2 2 295.496 3.470 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000491384525 393684597 /nfs/dbraw/zinc/68/45/97/393684597.db2.gz TYRIFUNAOICUMH-HNNXBMFYSA-N 2 2 299.462 3.265 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000666946448 542827353 /nfs/dbraw/zinc/82/73/53/542827353.db2.gz CRTQLTNWMHXARP-LMRQPLJMSA-N 2 2 296.817 3.266 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201189 393749211 /nfs/dbraw/zinc/74/92/11/393749211.db2.gz VEJYTPZCMGOVAW-ZMSDIMECSA-N 2 2 278.440 3.001 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000666946446 542827608 /nfs/dbraw/zinc/82/76/08/542827608.db2.gz CRTQLTNWMHXARP-DUPGQFARSA-N 2 2 296.817 3.266 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc[nH+]c3ccccc13)CCC2 ZINC000361190739 393699661 /nfs/dbraw/zinc/69/96/61/393699661.db2.gz WUSDJCOPLWQOEF-CQSZACIVSA-N 2 2 292.386 3.151 20 0 CGADLP Clc1cccc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000433300936 393709526 /nfs/dbraw/zinc/70/95/26/393709526.db2.gz UNXKAXZBJRMGIK-AWEZNQCLSA-N 2 2 275.783 3.026 20 0 CGADLP Clc1cccc([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000433300936 393709531 /nfs/dbraw/zinc/70/95/31/393709531.db2.gz UNXKAXZBJRMGIK-AWEZNQCLSA-N 2 2 275.783 3.026 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCCC12CCC2)[NH+]1CCCC1 ZINC000449076343 393874651 /nfs/dbraw/zinc/87/46/51/393874651.db2.gz OXLDWVXEUIREAJ-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000503022238 393889958 /nfs/dbraw/zinc/88/99/58/393889958.db2.gz IOQFLQPYYBLLGK-KZNAEPCWSA-N 2 2 274.452 3.356 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450560302 394018342 /nfs/dbraw/zinc/01/83/42/394018342.db2.gz FERQQJOFLMFDBS-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000450560302 394018343 /nfs/dbraw/zinc/01/83/43/394018343.db2.gz FERQQJOFLMFDBS-CQSZACIVSA-N 2 2 289.810 3.485 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000451036556 394041153 /nfs/dbraw/zinc/04/11/53/394041153.db2.gz GCNQLOYLOVFHDW-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000451036556 394041156 /nfs/dbraw/zinc/04/11/56/394041156.db2.gz GCNQLOYLOVFHDW-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000451036556 394041157 /nfs/dbraw/zinc/04/11/57/394041157.db2.gz GCNQLOYLOVFHDW-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000451036556 394041161 /nfs/dbraw/zinc/04/11/61/394041161.db2.gz GCNQLOYLOVFHDW-IAGOWNOFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000450780697 394035777 /nfs/dbraw/zinc/03/57/77/394035777.db2.gz QZFYYEXMHPAREN-XHSDSOJGSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000450780697 394035781 /nfs/dbraw/zinc/03/57/81/394035781.db2.gz QZFYYEXMHPAREN-XHSDSOJGSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000450780697 394035786 /nfs/dbraw/zinc/03/57/86/394035786.db2.gz QZFYYEXMHPAREN-XHSDSOJGSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000450780697 394035789 /nfs/dbraw/zinc/03/57/89/394035789.db2.gz QZFYYEXMHPAREN-XHSDSOJGSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000453070128 394159854 /nfs/dbraw/zinc/15/98/54/394159854.db2.gz ZYUPCUGPEXRXOY-IRXDYDNUSA-N 2 2 289.467 3.257 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000453070128 394159858 /nfs/dbraw/zinc/15/98/58/394159858.db2.gz ZYUPCUGPEXRXOY-IRXDYDNUSA-N 2 2 289.467 3.257 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccsc1 ZINC000453191399 394200543 /nfs/dbraw/zinc/20/05/43/394200543.db2.gz IAMYCDZOLUDPFZ-FPMFFAJLSA-N 2 2 252.427 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccsc1 ZINC000453191399 394200545 /nfs/dbraw/zinc/20/05/45/394200545.db2.gz IAMYCDZOLUDPFZ-FPMFFAJLSA-N 2 2 252.427 3.272 20 0 CGADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453451690 394246768 /nfs/dbraw/zinc/24/67/68/394246768.db2.gz RQBGWYXDVWNJSX-FUHWJXTLSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3CC(F)(F)C3)n2c1 ZINC000453593888 394252558 /nfs/dbraw/zinc/25/25/58/394252558.db2.gz VYBFFZUSXNLKPC-UHFFFAOYSA-N 2 2 279.334 3.168 20 0 CGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499412 542878563 /nfs/dbraw/zinc/87/85/63/542878563.db2.gz JIKVZSROLVJAOY-ZDUSSCGKSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499412 542878565 /nfs/dbraw/zinc/87/85/65/542878565.db2.gz JIKVZSROLVJAOY-ZDUSSCGKSA-N 2 2 282.347 3.053 20 0 CGADLP CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000667564042 542890324 /nfs/dbraw/zinc/89/03/24/542890324.db2.gz ZOGVWTKRFYBQDR-UHFFFAOYSA-N 2 2 299.418 3.496 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1ccc(F)cc1 ZINC000667534026 542885850 /nfs/dbraw/zinc/88/58/50/542885850.db2.gz JWDQQHKSDQVCBR-LBPRGKRZSA-N 2 2 275.371 3.451 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1ccc(F)cc1 ZINC000667534026 542885854 /nfs/dbraw/zinc/88/58/54/542885854.db2.gz JWDQQHKSDQVCBR-LBPRGKRZSA-N 2 2 275.371 3.451 20 0 CGADLP CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667563941 542890009 /nfs/dbraw/zinc/89/00/09/542890009.db2.gz WJZIDDOPHNOPKN-ZDUSSCGKSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667563941 542890011 /nfs/dbraw/zinc/89/00/11/542890011.db2.gz WJZIDDOPHNOPKN-ZDUSSCGKSA-N 2 2 261.413 3.230 20 0 CGADLP CCCCC[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667706841 542920895 /nfs/dbraw/zinc/92/08/95/542920895.db2.gz JMSZWMUBBCVEJX-CQSZACIVSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCC[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667706841 542920898 /nfs/dbraw/zinc/92/08/98/542920898.db2.gz JMSZWMUBBCVEJX-CQSZACIVSA-N 2 2 261.413 3.374 20 0 CGADLP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000667765928 542926379 /nfs/dbraw/zinc/92/63/79/542926379.db2.gz LZTDKDDAMBLCKC-OWQGQXMQSA-N 2 2 297.402 3.090 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC=C(c3cccc(C)c3)CC2)n1C ZINC000667958579 542950939 /nfs/dbraw/zinc/95/09/39/542950939.db2.gz NPIYGNHHJPRIJJ-UHFFFAOYSA-N 2 2 281.403 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)n1C ZINC000667958579 542950942 /nfs/dbraw/zinc/95/09/42/542950942.db2.gz NPIYGNHHJPRIJJ-UHFFFAOYSA-N 2 2 281.403 3.326 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969124 542952211 /nfs/dbraw/zinc/95/22/11/542952211.db2.gz DNILQVHKDZJQAH-SCLBCKFNSA-N 2 2 299.418 3.320 20 0 CGADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC000667969124 542952212 /nfs/dbraw/zinc/95/22/12/542952212.db2.gz DNILQVHKDZJQAH-SCLBCKFNSA-N 2 2 299.418 3.320 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)n1C ZINC000668106993 542971572 /nfs/dbraw/zinc/97/15/72/542971572.db2.gz RWYKJJYJLQQDRJ-KRWDZBQOSA-N 2 2 287.382 3.108 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)n1C ZINC000668106993 542971575 /nfs/dbraw/zinc/97/15/75/542971575.db2.gz RWYKJJYJLQQDRJ-KRWDZBQOSA-N 2 2 287.382 3.108 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@](F)(c3ccccc3C)C2)n1C ZINC000668106994 542971875 /nfs/dbraw/zinc/97/18/75/542971875.db2.gz RWYKJJYJLQQDRJ-QGZVFWFLSA-N 2 2 287.382 3.108 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@](F)(c3ccccc3C)C2)n1C ZINC000668106994 542971878 /nfs/dbraw/zinc/97/18/78/542971878.db2.gz RWYKJJYJLQQDRJ-QGZVFWFLSA-N 2 2 287.382 3.108 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)n1C ZINC000668191844 542986562 /nfs/dbraw/zinc/98/65/62/542986562.db2.gz NOXHLCKKCQKZOR-KRWDZBQOSA-N 2 2 281.403 3.456 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)n1C ZINC000668191844 542986565 /nfs/dbraw/zinc/98/65/65/542986565.db2.gz NOXHLCKKCQKZOR-KRWDZBQOSA-N 2 2 281.403 3.456 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172037 542980627 /nfs/dbraw/zinc/98/06/27/542980627.db2.gz BXYSPUNPQOWXCW-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172037 542980629 /nfs/dbraw/zinc/98/06/29/542980629.db2.gz BXYSPUNPQOWXCW-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172037 542980630 /nfs/dbraw/zinc/98/06/30/542980630.db2.gz BXYSPUNPQOWXCW-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(F)c(F)c2F)C1 ZINC000668172037 542980632 /nfs/dbraw/zinc/98/06/32/542980632.db2.gz BXYSPUNPQOWXCW-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1ccc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000668609059 543034953 /nfs/dbraw/zinc/03/49/53/543034953.db2.gz ZYQHMIRHGYHZAZ-UHFFFAOYSA-N 2 2 291.398 3.317 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669204 543042299 /nfs/dbraw/zinc/04/22/99/543042299.db2.gz OESRVNXWLKTHLH-BDXSIMOUSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3[C@@H]4CCC[C@@H]43)C2)cc1 ZINC000668669204 543042301 /nfs/dbraw/zinc/04/23/01/543042301.db2.gz OESRVNXWLKTHLH-BDXSIMOUSA-N 2 2 270.420 3.039 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCc2ccccc21 ZINC000668755743 543056890 /nfs/dbraw/zinc/05/68/90/543056890.db2.gz LPSXACXNPIEWMI-INIZCTEOSA-N 2 2 291.398 3.496 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCc2ccccc21 ZINC000668755743 543056893 /nfs/dbraw/zinc/05/68/93/543056893.db2.gz LPSXACXNPIEWMI-INIZCTEOSA-N 2 2 291.398 3.496 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154472 543142084 /nfs/dbraw/zinc/14/20/84/543142084.db2.gz BBWONVRXXSQSIG-OAOYMFHYSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154472 543142086 /nfs/dbraw/zinc/14/20/86/543142086.db2.gz BBWONVRXXSQSIG-OAOYMFHYSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154474 543142207 /nfs/dbraw/zinc/14/22/07/543142207.db2.gz BBWONVRXXSQSIG-VLQPXKRTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154474 543142210 /nfs/dbraw/zinc/14/22/10/543142210.db2.gz BBWONVRXXSQSIG-VLQPXKRTSA-N 2 2 284.447 3.253 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1c[nH+]cn1C ZINC000649819717 397728347 /nfs/dbraw/zinc/72/83/47/397728347.db2.gz BWCHNSBCHSADCJ-UHFFFAOYSA-N 2 2 283.375 3.415 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1c[nH+]cn1C ZINC000649819717 397728349 /nfs/dbraw/zinc/72/83/49/397728349.db2.gz BWCHNSBCHSADCJ-UHFFFAOYSA-N 2 2 283.375 3.415 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000387735717 397690410 /nfs/dbraw/zinc/69/04/10/397690410.db2.gz OXEOISGTVIEZRS-RHSMWYFYSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000387735717 397690411 /nfs/dbraw/zinc/69/04/11/397690411.db2.gz OXEOISGTVIEZRS-RHSMWYFYSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349374 397710111 /nfs/dbraw/zinc/71/01/11/397710111.db2.gz ATGWRNLPIJCEEZ-HIFRSBDPSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349374 397710115 /nfs/dbraw/zinc/71/01/15/397710115.db2.gz ATGWRNLPIJCEEZ-HIFRSBDPSA-N 2 2 252.446 3.133 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674677473 543293463 /nfs/dbraw/zinc/29/34/63/543293463.db2.gz YUYPYQSWTDUWTO-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674677473 543293465 /nfs/dbraw/zinc/29/34/65/543293465.db2.gz YUYPYQSWTDUWTO-SFHVURJKSA-N 2 2 283.419 3.461 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765454 543361464 /nfs/dbraw/zinc/36/14/64/543361464.db2.gz GXPMCJJVCYXFBG-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765454 543361465 /nfs/dbraw/zinc/36/14/65/543361465.db2.gz GXPMCJJVCYXFBG-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000675766609 543362365 /nfs/dbraw/zinc/36/23/65/543362365.db2.gz MIHPOMFPLHNAEM-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000675766609 543362366 /nfs/dbraw/zinc/36/23/66/543362366.db2.gz MIHPOMFPLHNAEM-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000675767398 543362597 /nfs/dbraw/zinc/36/25/97/543362597.db2.gz TZSZYFAHLDJCDK-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000675767398 543362599 /nfs/dbraw/zinc/36/25/99/543362599.db2.gz TZSZYFAHLDJCDK-DOTOQJQBSA-N 2 2 288.435 3.201 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675926167 543374087 /nfs/dbraw/zinc/37/40/87/543374087.db2.gz LULDHVGIDRZXNH-GDBMZVCRSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC3(C)C)[nH+]c12 ZINC000675926760 543374658 /nfs/dbraw/zinc/37/46/58/543374658.db2.gz ZHWRJZQVOOWGKK-HNNXBMFYSA-N 2 2 271.408 3.354 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000676112691 543383005 /nfs/dbraw/zinc/38/30/05/543383005.db2.gz MZVQVGSUHSDOLZ-NXHRZFHOSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676112691 543383009 /nfs/dbraw/zinc/38/30/09/543383009.db2.gz MZVQVGSUHSDOLZ-NXHRZFHOSA-N 2 2 290.451 3.054 20 0 CGADLP Clc1cscc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000676416180 543396827 /nfs/dbraw/zinc/39/68/27/543396827.db2.gz YOWIUTJKIQSVLP-VXGBXAGGSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1cscc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000676416180 543396829 /nfs/dbraw/zinc/39/68/29/543396829.db2.gz YOWIUTJKIQSVLP-VXGBXAGGSA-N 2 2 270.829 3.118 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC000676490859 543399579 /nfs/dbraw/zinc/39/95/79/543399579.db2.gz SUSZHYNUFSGLLT-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC000676490859 543399581 /nfs/dbraw/zinc/39/95/81/543399581.db2.gz SUSZHYNUFSGLLT-RISCZKNCSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000677240239 543441599 /nfs/dbraw/zinc/44/15/99/543441599.db2.gz DTFKOGYJFDLQKY-IEBWSBKVSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000677240239 543441602 /nfs/dbraw/zinc/44/16/02/543441602.db2.gz DTFKOGYJFDLQKY-IEBWSBKVSA-N 2 2 284.447 3.446 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846722 543468653 /nfs/dbraw/zinc/46/86/53/543468653.db2.gz UAOADVPSSNJUOK-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846722 543468655 /nfs/dbraw/zinc/46/86/55/543468655.db2.gz UAOADVPSSNJUOK-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846723 543468971 /nfs/dbraw/zinc/46/89/71/543468971.db2.gz UAOADVPSSNJUOK-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000677846723 543468972 /nfs/dbraw/zinc/46/89/72/543468972.db2.gz UAOADVPSSNJUOK-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422908979 286018376 /nfs/dbraw/zinc/01/83/76/286018376.db2.gz DZXMFMJQOVWRCX-BHTHQVBYSA-N 2 2 296.842 3.146 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235145 543498060 /nfs/dbraw/zinc/49/80/60/543498060.db2.gz OVLRKCLURQSXDK-CYBMUJFWSA-N 2 2 275.421 3.344 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235145 543498062 /nfs/dbraw/zinc/49/80/62/543498062.db2.gz OVLRKCLURQSXDK-CYBMUJFWSA-N 2 2 275.421 3.344 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000678235522 543498952 /nfs/dbraw/zinc/49/89/52/543498952.db2.gz KSOIEKVYOZFNPI-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000678235522 543498954 /nfs/dbraw/zinc/49/89/54/543498954.db2.gz KSOIEKVYOZFNPI-OAHLLOKOSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cscc2Cl)CC[N@@H+]1C ZINC000678277717 543509238 /nfs/dbraw/zinc/50/92/38/543509238.db2.gz CSOCUMNGEBRMRX-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cscc2Cl)CC[N@H+]1C ZINC000678277717 543509241 /nfs/dbraw/zinc/50/92/41/543509241.db2.gz CSOCUMNGEBRMRX-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277717 543509243 /nfs/dbraw/zinc/50/92/43/543509243.db2.gz CSOCUMNGEBRMRX-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cscc2Cl)CC[NH+]1C ZINC000678277717 543509245 /nfs/dbraw/zinc/50/92/45/543509245.db2.gz CSOCUMNGEBRMRX-ZYHUDNBSSA-N 2 2 272.845 3.316 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000553648914 289233081 /nfs/dbraw/zinc/23/30/81/289233081.db2.gz NTTXRTPBQUBXIO-CQSZACIVSA-N 2 2 266.404 3.251 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000553648914 289233083 /nfs/dbraw/zinc/23/30/83/289233083.db2.gz NTTXRTPBQUBXIO-CQSZACIVSA-N 2 2 266.404 3.251 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000678542026 543534030 /nfs/dbraw/zinc/53/40/30/543534030.db2.gz BLVJRHFEPINLRN-GDBMZVCRSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000678542026 543534032 /nfs/dbraw/zinc/53/40/32/543534032.db2.gz BLVJRHFEPINLRN-GDBMZVCRSA-N 2 2 276.424 3.139 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000678597767 543540651 /nfs/dbraw/zinc/54/06/51/543540651.db2.gz LOENXVMRYZNTEE-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000678597767 543540653 /nfs/dbraw/zinc/54/06/53/543540653.db2.gz LOENXVMRYZNTEE-UKRRQHHQSA-N 2 2 252.446 3.275 20 0 CGADLP Fc1c[nH+]ccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000678787596 543558463 /nfs/dbraw/zinc/55/84/63/543558463.db2.gz UHDNOAIUGWCXGL-HNNXBMFYSA-N 2 2 291.414 3.313 20 0 CGADLP Oc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)cc1 ZINC000678818996 543562438 /nfs/dbraw/zinc/56/24/38/543562438.db2.gz LYTMUWJKUNUPOY-QGZVFWFLSA-N 2 2 293.370 3.377 20 0 CGADLP Oc1ccc([C@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)cc1 ZINC000678818996 543562440 /nfs/dbraw/zinc/56/24/40/543562440.db2.gz LYTMUWJKUNUPOY-QGZVFWFLSA-N 2 2 293.370 3.377 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]CC1CCCCC1 ZINC000414943082 296621742 /nfs/dbraw/zinc/62/17/42/296621742.db2.gz CMXMSZKWNWQJIJ-KRWDZBQOSA-N 2 2 258.409 3.043 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000036773896 286883225 /nfs/dbraw/zinc/88/32/25/286883225.db2.gz MBARXTBRODKJEF-BZUAXINKSA-N 2 2 263.429 3.324 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000086697481 287083437 /nfs/dbraw/zinc/08/34/37/287083437.db2.gz KLVVCYYSWICTLX-YOEHRIQHSA-N 2 2 287.407 3.194 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003513 165225642 /nfs/dbraw/zinc/22/56/42/165225642.db2.gz OQWNMFFKXOAWRD-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003513 165225644 /nfs/dbraw/zinc/22/56/44/165225644.db2.gz OQWNMFFKXOAWRD-QGZVFWFLSA-N 2 2 283.419 3.183 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000090585912 165241209 /nfs/dbraw/zinc/24/12/09/165241209.db2.gz PBEBMOIJDXRFKH-UONOGXRCSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000090585912 165241211 /nfs/dbraw/zinc/24/12/11/165241211.db2.gz PBEBMOIJDXRFKH-UONOGXRCSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092129030 165283499 /nfs/dbraw/zinc/28/34/99/165283499.db2.gz PTDATTQXYNOHAF-CYBMUJFWSA-N 2 2 257.381 3.316 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000252368484 165804375 /nfs/dbraw/zinc/80/43/75/165804375.db2.gz QFHBEODFVGCBCB-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000252368484 165804378 /nfs/dbraw/zinc/80/43/78/165804378.db2.gz QFHBEODFVGCBCB-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC000116915317 287158658 /nfs/dbraw/zinc/15/86/58/287158658.db2.gz ZRBFGZPJEKHXOW-UHFFFAOYSA-N 2 2 278.415 3.488 20 0 CGADLP Cn1cccc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121811503 287203671 /nfs/dbraw/zinc/20/36/71/287203671.db2.gz XSSQQRPFDCTKKX-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP Cn1cccc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121811503 287203673 /nfs/dbraw/zinc/20/36/73/287203673.db2.gz XSSQQRPFDCTKKX-IBGZPJMESA-N 2 2 297.446 3.169 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000122313343 287208664 /nfs/dbraw/zinc/20/86/64/287208664.db2.gz KEDHPFTYMPWDKN-LJISPDSOSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000122313343 287208666 /nfs/dbraw/zinc/20/86/66/287208666.db2.gz KEDHPFTYMPWDKN-LJISPDSOSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000020126866 171012057 /nfs/dbraw/zinc/01/20/57/171012057.db2.gz QTEMRLLOPVDXLQ-GFCCVEGCSA-N 2 2 286.341 3.452 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000021028267 171291559 /nfs/dbraw/zinc/29/15/59/171291559.db2.gz FLFMTCZWSZZFPQ-HNNXBMFYSA-N 2 2 266.816 3.477 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000037157129 172990816 /nfs/dbraw/zinc/99/08/16/172990816.db2.gz BGTGGMYDGXKWAP-GOEBONIOSA-N 2 2 257.381 3.403 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190120 416487737 /nfs/dbraw/zinc/48/77/37/416487737.db2.gz OKCMJUNWFIRTJZ-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190120 416487742 /nfs/dbraw/zinc/48/77/42/416487742.db2.gz OKCMJUNWFIRTJZ-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000299974193 416525766 /nfs/dbraw/zinc/52/57/66/416525766.db2.gz BPQUGTJQQARQNZ-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000299974193 416525771 /nfs/dbraw/zinc/52/57/71/416525771.db2.gz BPQUGTJQQARQNZ-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CCCCO)c1ccccc1 ZINC000679342278 543622813 /nfs/dbraw/zinc/62/28/13/543622813.db2.gz NVHFLEIKBSBJRA-JKSUJKDBSA-N 2 2 292.467 3.257 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386451 543631596 /nfs/dbraw/zinc/63/15/96/543631596.db2.gz NDGHARREWGMSOJ-QZTJIDSGSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386451 543631600 /nfs/dbraw/zinc/63/16/00/543631600.db2.gz NDGHARREWGMSOJ-QZTJIDSGSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130597243 287358841 /nfs/dbraw/zinc/35/88/41/287358841.db2.gz HSSWBDRJWIOYGC-LIRRHRJNSA-N 2 2 291.398 3.400 20 0 CGADLP c1cn(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)c[nH+]1 ZINC000682068577 543818171 /nfs/dbraw/zinc/81/81/71/543818171.db2.gz CXJAXNBVUFFSIE-KRWDZBQOSA-N 2 2 267.376 3.208 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000681972847 543812823 /nfs/dbraw/zinc/81/28/23/543812823.db2.gz JRSXDIFQSMRWIF-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000681972847 543812826 /nfs/dbraw/zinc/81/28/26/543812826.db2.gz JRSXDIFQSMRWIF-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682996144 543885127 /nfs/dbraw/zinc/88/51/27/543885127.db2.gz KJLYIINEYFAATQ-GFCCVEGCSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682996144 543885129 /nfs/dbraw/zinc/88/51/29/543885129.db2.gz KJLYIINEYFAATQ-GFCCVEGCSA-N 2 2 281.812 3.435 20 0 CGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000683705277 543933922 /nfs/dbraw/zinc/93/39/22/543933922.db2.gz PLAIYPWUTUQYRZ-MAUKXSAKSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000683705277 543933924 /nfs/dbraw/zinc/93/39/24/543933924.db2.gz PLAIYPWUTUQYRZ-MAUKXSAKSA-N 2 2 272.436 3.254 20 0 CGADLP CC(C)(C)c1nc(NCC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000683534089 543922207 /nfs/dbraw/zinc/92/22/07/543922207.db2.gz HIVUOMWQNSZFHT-UHFFFAOYSA-N 2 2 288.439 3.060 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)[nH]1 ZINC000683826282 543945181 /nfs/dbraw/zinc/94/51/81/543945181.db2.gz LHOTWHXZENOOFX-QGZVFWFLSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)[nH]1 ZINC000683826282 543945182 /nfs/dbraw/zinc/94/51/82/543945182.db2.gz LHOTWHXZENOOFX-QGZVFWFLSA-N 2 2 292.386 3.338 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)c[nH+]1 ZINC000683829799 543946372 /nfs/dbraw/zinc/94/63/72/543946372.db2.gz LLCQTXRTLKHMTM-ZDUSSCGKSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)c[nH+]1 ZINC000683829799 543946373 /nfs/dbraw/zinc/94/63/73/543946373.db2.gz LLCQTXRTLKHMTM-ZDUSSCGKSA-N 2 2 288.420 3.054 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022433 543962299 /nfs/dbraw/zinc/96/22/99/543962299.db2.gz LAKLGNXMGJDLCZ-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022433 543962301 /nfs/dbraw/zinc/96/23/01/543962301.db2.gz LAKLGNXMGJDLCZ-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022433 543962303 /nfs/dbraw/zinc/96/23/03/543962303.db2.gz LAKLGNXMGJDLCZ-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022433 543962306 /nfs/dbraw/zinc/96/23/06/543962306.db2.gz LAKLGNXMGJDLCZ-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684113748 543967633 /nfs/dbraw/zinc/96/76/33/543967633.db2.gz MSNITDBYOXCZEY-DZGCQCFKSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684113748 543967635 /nfs/dbraw/zinc/96/76/35/543967635.db2.gz MSNITDBYOXCZEY-DZGCQCFKSA-N 2 2 280.481 3.389 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000132243332 287399976 /nfs/dbraw/zinc/39/99/76/287399976.db2.gz PWMIRVBRYQMDLM-KRWDZBQOSA-N 2 2 285.435 3.498 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000684372588 543987961 /nfs/dbraw/zinc/98/79/61/543987961.db2.gz QPFUXNULNLKIQK-KBPBESRZSA-N 2 2 287.407 3.043 20 0 CGADLP COc1nc(C)cc(C)c1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684376103 543988462 /nfs/dbraw/zinc/98/84/62/543988462.db2.gz GJTWHSYWYNLVTH-UHFFFAOYSA-N 2 2 299.418 3.133 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cnccc2C)c[nH+]1 ZINC000684389861 543992023 /nfs/dbraw/zinc/99/20/23/543992023.db2.gz XOLPVRRWRAPKRJ-HNNXBMFYSA-N 2 2 269.392 3.377 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448852 544072758 /nfs/dbraw/zinc/07/27/58/544072758.db2.gz LESVSWDJVOXJEU-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448852 544072760 /nfs/dbraw/zinc/07/27/60/544072760.db2.gz LESVSWDJVOXJEU-QBPKDAKJSA-N 2 2 264.457 3.371 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000685463042 544076364 /nfs/dbraw/zinc/07/63/64/544076364.db2.gz HNXKKXRQJQXXFN-MPNWYJEXSA-N 2 2 285.366 3.062 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000685463042 544076367 /nfs/dbraw/zinc/07/63/67/544076367.db2.gz HNXKKXRQJQXXFN-MPNWYJEXSA-N 2 2 285.366 3.062 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100267 533682294 /nfs/dbraw/zinc/68/22/94/533682294.db2.gz HDJZWDWFBHSQER-JSGCOSHPSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100267 533682299 /nfs/dbraw/zinc/68/22/99/533682299.db2.gz HDJZWDWFBHSQER-JSGCOSHPSA-N 2 2 287.382 3.017 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939539 /nfs/dbraw/zinc/93/95/39/418939539.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 3 2 295.515 3.103 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939540 /nfs/dbraw/zinc/93/95/40/418939540.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939543 /nfs/dbraw/zinc/93/95/43/418939543.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000652237351 418939545 /nfs/dbraw/zinc/93/95/45/418939545.db2.gz NCTSZHPGSSAYFC-IAGOWNOFSA-N 3 2 295.515 3.103 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329196 418952798 /nfs/dbraw/zinc/95/27/98/418952798.db2.gz MUOHGPBIDRRKJA-FZMZJTMJSA-N 2 2 298.352 3.234 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329196 418952801 /nfs/dbraw/zinc/95/28/01/418952801.db2.gz MUOHGPBIDRRKJA-FZMZJTMJSA-N 2 2 298.352 3.234 20 0 CGADLP Cn1c2ccccc2[nH+]c1NCC1CC[NH+](CC2CC2)CC1 ZINC000664647629 418990526 /nfs/dbraw/zinc/99/05/26/418990526.db2.gz SNEJVXYSWMEKRZ-UHFFFAOYSA-N 2 2 298.434 3.107 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762909 419090279 /nfs/dbraw/zinc/09/02/79/419090279.db2.gz ZTGWQVKQGVVMEC-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]CC1CC=CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000660171245 419092256 /nfs/dbraw/zinc/09/22/56/419092256.db2.gz DBWBZUVQQPPLSO-AWEZNQCLSA-N 2 2 267.376 3.489 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)(C)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665261624 419095223 /nfs/dbraw/zinc/09/52/23/419095223.db2.gz IFHILZMKZRXFQF-CVEARBPZSA-N 2 2 294.414 3.216 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1F ZINC000655795668 419098653 /nfs/dbraw/zinc/09/86/53/419098653.db2.gz DUTSVPRKNANJIO-PBFPGSCMSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000655795668 419098656 /nfs/dbraw/zinc/09/86/56/419098656.db2.gz DUTSVPRKNANJIO-PBFPGSCMSA-N 2 2 276.399 3.492 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1 ZINC000665276938 419100210 /nfs/dbraw/zinc/10/02/10/419100210.db2.gz PJMJSDXGIZWVEE-WPBUFGDCSA-N 2 2 264.800 3.133 20 0 CGADLP Fc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278244 419100243 /nfs/dbraw/zinc/10/02/43/419100243.db2.gz ZEVDUTVLMFDIQB-PJOPYLDSSA-N 2 2 296.389 3.257 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278761 419100699 /nfs/dbraw/zinc/10/06/99/419100699.db2.gz OBJFSBLZTQSCCU-UHFFFAOYSA-N 2 2 276.383 3.098 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665280012 419101436 /nfs/dbraw/zinc/10/14/36/419101436.db2.gz RBMUCXWHDCHADU-SYJJWHGVSA-N 2 2 288.435 3.268 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000665294044 419107278 /nfs/dbraw/zinc/10/72/78/419107278.db2.gz HDOZFDSDISWTEH-CHWSQXEVSA-N 2 2 272.392 3.107 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665290076 419107720 /nfs/dbraw/zinc/10/77/20/419107720.db2.gz IMOZTMPTSUKMML-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665290076 419107724 /nfs/dbraw/zinc/10/77/24/419107724.db2.gz IMOZTMPTSUKMML-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665290076 419107726 /nfs/dbraw/zinc/10/77/26/419107726.db2.gz IMOZTMPTSUKMML-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665290076 419107729 /nfs/dbraw/zinc/10/77/29/419107729.db2.gz IMOZTMPTSUKMML-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000665295687 419109046 /nfs/dbraw/zinc/10/90/46/419109046.db2.gz HTHDTZJPBXEENO-KBPBESRZSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000665295881 419109070 /nfs/dbraw/zinc/10/90/70/419109070.db2.gz KXLQIMDJEBJUCU-ZJUUUORDSA-N 2 2 266.772 3.345 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000665294525 419109306 /nfs/dbraw/zinc/10/93/06/419109306.db2.gz QLDIBYGOOLIVFP-BXKDBHETSA-N 2 2 270.829 3.074 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653913247 419111906 /nfs/dbraw/zinc/11/19/06/419111906.db2.gz ZSEPUSYKWVWPFM-DLBZAZTESA-N 2 2 299.418 3.032 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653913247 419111909 /nfs/dbraw/zinc/11/19/09/419111909.db2.gz ZSEPUSYKWVWPFM-DLBZAZTESA-N 2 2 299.418 3.032 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849506 419120459 /nfs/dbraw/zinc/12/04/59/419120459.db2.gz WEQGXJMIQYJEDB-USXIJHARSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849506 419120461 /nfs/dbraw/zinc/12/04/61/419120461.db2.gz WEQGXJMIQYJEDB-USXIJHARSA-N 2 2 273.424 3.058 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590613 419056148 /nfs/dbraw/zinc/05/61/48/419056148.db2.gz OHJOARODCFJIOL-GJZGRUSLSA-N 2 2 263.429 3.426 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590613 419056154 /nfs/dbraw/zinc/05/61/54/419056154.db2.gz OHJOARODCFJIOL-GJZGRUSLSA-N 2 2 263.429 3.426 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000655703997 419072156 /nfs/dbraw/zinc/07/21/56/419072156.db2.gz PBYNGYTXQZRQDY-DJIMGWMZSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)C1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655724292 419079149 /nfs/dbraw/zinc/07/91/49/419079149.db2.gz TVYMABCJTMEBNW-HTWSVDAQSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c[nH+]1 ZINC000656267995 419161156 /nfs/dbraw/zinc/16/11/56/419161156.db2.gz QSINPKLGGHQHHL-QZTJIDSGSA-N 2 2 288.435 3.260 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654495 419176113 /nfs/dbraw/zinc/17/61/13/419176113.db2.gz GSSIRKBBLTXBBI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654495 419176115 /nfs/dbraw/zinc/17/61/15/419176115.db2.gz GSSIRKBBLTXBBI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654495 419176116 /nfs/dbraw/zinc/17/61/16/419176116.db2.gz GSSIRKBBLTXBBI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654495 419176118 /nfs/dbraw/zinc/17/61/18/419176118.db2.gz GSSIRKBBLTXBBI-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654456 419176786 /nfs/dbraw/zinc/17/67/86/419176786.db2.gz GJSRDCMUKJOLOT-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654456 419176789 /nfs/dbraw/zinc/17/67/89/419176789.db2.gz GJSRDCMUKJOLOT-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654456 419176793 /nfs/dbraw/zinc/17/67/93/419176793.db2.gz GJSRDCMUKJOLOT-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654456 419176795 /nfs/dbraw/zinc/17/67/95/419176795.db2.gz GJSRDCMUKJOLOT-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)s1)C2 ZINC000660656012 419176977 /nfs/dbraw/zinc/17/69/77/419176977.db2.gz PAUDGVGNDXNHRL-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)s1)C2 ZINC000660656012 419176980 /nfs/dbraw/zinc/17/69/80/419176980.db2.gz PAUDGVGNDXNHRL-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000660656012 419176985 /nfs/dbraw/zinc/17/69/85/419176985.db2.gz PAUDGVGNDXNHRL-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000660656012 419176987 /nfs/dbraw/zinc/17/69/87/419176987.db2.gz PAUDGVGNDXNHRL-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664639 419179741 /nfs/dbraw/zinc/17/97/41/419179741.db2.gz RFFGJXRMALFZGI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664639 419179743 /nfs/dbraw/zinc/17/97/43/419179743.db2.gz RFFGJXRMALFZGI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664639 419179745 /nfs/dbraw/zinc/17/97/45/419179745.db2.gz RFFGJXRMALFZGI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC000660664639 419179748 /nfs/dbraw/zinc/17/97/48/419179748.db2.gz RFFGJXRMALFZGI-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724033 419185461 /nfs/dbraw/zinc/18/54/61/419185461.db2.gz PTNGETWJIIYKDJ-LUKYLMHMSA-N 2 2 264.457 3.086 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000660724033 419185466 /nfs/dbraw/zinc/18/54/66/419185466.db2.gz PTNGETWJIIYKDJ-LUKYLMHMSA-N 2 2 264.457 3.086 20 0 CGADLP Cc1c[nH]c(CNc2ccc(CC[NH+]3CCCCC3)cc2)[nH+]1 ZINC000657324360 419250658 /nfs/dbraw/zinc/25/06/58/419250658.db2.gz ZXCNOSATXCHIIL-UHFFFAOYSA-N 2 2 298.434 3.359 20 0 CGADLP CC(C)(C)Oc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657330145 419251699 /nfs/dbraw/zinc/25/16/99/419251699.db2.gz KWMACLIUZXPQPM-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H](c1ccccc1)C1CCC1)CCC2 ZINC000657347294 419256292 /nfs/dbraw/zinc/25/62/92/419256292.db2.gz WRSVRDPXGHVRAA-SFHVURJKSA-N 2 2 281.403 3.460 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657364675 419260584 /nfs/dbraw/zinc/26/05/84/419260584.db2.gz YTTDPVRKVBANLK-MRXNPFEDSA-N 2 2 284.407 3.020 20 0 CGADLP Clc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000657373348 419263034 /nfs/dbraw/zinc/26/30/34/419263034.db2.gz TZNSGGIIVAOLIS-UHFFFAOYSA-N 2 2 287.794 3.262 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000656676263 419197445 /nfs/dbraw/zinc/19/74/45/419197445.db2.gz NHQNDKXQQUSUAB-LRDDRELGSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000656676263 419197448 /nfs/dbraw/zinc/19/74/48/419197448.db2.gz NHQNDKXQQUSUAB-LRDDRELGSA-N 2 2 294.389 3.415 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000657391704 419267922 /nfs/dbraw/zinc/26/79/22/419267922.db2.gz XJMPSKVTXKVLDX-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC1(F)F ZINC000666444362 419217855 /nfs/dbraw/zinc/21/78/55/419217855.db2.gz DYYQYFJYFYGMTF-JQWIXIFHSA-N 2 2 295.308 3.145 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000657391706 419268132 /nfs/dbraw/zinc/26/81/32/419268132.db2.gz XJMPSKVTXKVLDX-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CCCC1 ZINC000656789661 419220881 /nfs/dbraw/zinc/22/08/81/419220881.db2.gz UVEKDAZKECOAMK-UHFFFAOYSA-N 2 2 270.376 3.308 20 0 CGADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCCCC1 ZINC000657428983 419276633 /nfs/dbraw/zinc/27/66/33/419276633.db2.gz PJABGYHWRDTWDH-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP CC(C)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657435300 419277794 /nfs/dbraw/zinc/27/77/94/419277794.db2.gz ABOBCDFWOBPCJL-UHFFFAOYSA-N 2 2 269.392 3.243 20 0 CGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657447082 419280783 /nfs/dbraw/zinc/28/07/83/419280783.db2.gz VWAZREDHIGTLLW-UHFFFAOYSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)n1C ZINC000657506407 419296576 /nfs/dbraw/zinc/29/65/76/419296576.db2.gz IKNCZZXSVJTMOI-SNVBAGLBSA-N 2 2 271.355 3.032 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000657527322 419298497 /nfs/dbraw/zinc/29/84/97/419298497.db2.gz SRVYFICNAZYAMR-HNNXBMFYSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000657527322 419298499 /nfs/dbraw/zinc/29/84/99/419298499.db2.gz SRVYFICNAZYAMR-HNNXBMFYSA-N 2 2 272.392 3.395 20 0 CGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657617219 419314347 /nfs/dbraw/zinc/31/43/47/419314347.db2.gz QCJKCIVWHBIYBN-SUMWQHHRSA-N 2 2 277.371 3.152 20 0 CGADLP CC1(C)[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(F)F ZINC000657736762 419333593 /nfs/dbraw/zinc/33/35/93/419333593.db2.gz MWQKYBCOQCVHIV-CQSZACIVSA-N 2 2 291.345 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000657742050 419335887 /nfs/dbraw/zinc/33/58/87/419335887.db2.gz KNZCQGKREQYBIE-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000657742050 419335889 /nfs/dbraw/zinc/33/58/89/419335889.db2.gz KNZCQGKREQYBIE-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2=CCCC2)n1-c1ccccc1 ZINC000657750056 419336934 /nfs/dbraw/zinc/33/69/34/419336934.db2.gz YTEMLYGFTWGNST-UHFFFAOYSA-N 2 2 267.376 3.381 20 0 CGADLP CC(C)CC1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000657775875 419343384 /nfs/dbraw/zinc/34/33/84/419343384.db2.gz UMPYEENGBZEMJD-UHFFFAOYSA-N 2 2 287.451 3.214 20 0 CGADLP c1coc(CCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000657781293 419345030 /nfs/dbraw/zinc/34/50/30/419345030.db2.gz CWJOBVKPWIVISM-UHFFFAOYSA-N 2 2 287.388 3.249 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657819654 419369937 /nfs/dbraw/zinc/36/99/37/419369937.db2.gz FYEWMJDEILKQEZ-JKSUJKDBSA-N 2 2 278.465 3.165 20 0 CGADLP COc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1Cl ZINC000662246783 419371629 /nfs/dbraw/zinc/37/16/29/419371629.db2.gz CTDLOKLLUZRUDO-CYBMUJFWSA-N 2 2 284.831 3.154 20 0 CGADLP COc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1Cl ZINC000662246783 419371633 /nfs/dbraw/zinc/37/16/33/419371633.db2.gz CTDLOKLLUZRUDO-CYBMUJFWSA-N 2 2 284.831 3.154 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662246993 419371912 /nfs/dbraw/zinc/37/19/12/419371912.db2.gz WYSBNAKQYXDOED-SJORKVTESA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000662246993 419371918 /nfs/dbraw/zinc/37/19/18/419371918.db2.gz WYSBNAKQYXDOED-SJORKVTESA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000662266031 419374765 /nfs/dbraw/zinc/37/47/65/419374765.db2.gz VSXCVZGNUSBGQU-QGZVFWFLSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000662266031 419374769 /nfs/dbraw/zinc/37/47/69/419374769.db2.gz VSXCVZGNUSBGQU-QGZVFWFLSA-N 2 2 258.409 3.136 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663346690 419567407 /nfs/dbraw/zinc/56/74/07/419567407.db2.gz CWOBCPRUOHWNND-ZDUSSCGKSA-N 2 2 282.815 3.145 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663346690 419567412 /nfs/dbraw/zinc/56/74/12/419567412.db2.gz CWOBCPRUOHWNND-ZDUSSCGKSA-N 2 2 282.815 3.145 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056755 419522667 /nfs/dbraw/zinc/52/26/67/419522667.db2.gz LXLAZKCVOCODAO-CJNGLKHVSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056755 419522672 /nfs/dbraw/zinc/52/26/72/419522672.db2.gz LXLAZKCVOCODAO-CJNGLKHVSA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000658058474 419528100 /nfs/dbraw/zinc/52/81/00/419528100.db2.gz DLVVSAUPFWZQEI-RHSMWYFYSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000658058474 419528107 /nfs/dbraw/zinc/52/81/07/419528107.db2.gz DLVVSAUPFWZQEI-RHSMWYFYSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000658059115 419530497 /nfs/dbraw/zinc/53/04/97/419530497.db2.gz HZERIMGRXXQTLG-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000658059115 419530504 /nfs/dbraw/zinc/53/05/04/419530504.db2.gz HZERIMGRXXQTLG-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000658058839 419532194 /nfs/dbraw/zinc/53/21/94/419532194.db2.gz VAHLNZNBIZPVQS-GOEBONIOSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000658058839 419532199 /nfs/dbraw/zinc/53/21/99/419532199.db2.gz VAHLNZNBIZPVQS-GOEBONIOSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186322274 287556837 /nfs/dbraw/zinc/55/68/37/287556837.db2.gz MVNVXDMYCKJDTM-MGPUTAFESA-N 2 2 294.442 3.435 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000663508162 419640739 /nfs/dbraw/zinc/64/07/39/419640739.db2.gz LBKATZJWTOJBFH-LLVKDONJSA-N 2 2 278.396 3.252 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226259 419684360 /nfs/dbraw/zinc/68/43/60/419684360.db2.gz IGCYGVUXACKVHW-HOCLYGCPSA-N 2 2 294.483 3.329 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226259 419684372 /nfs/dbraw/zinc/68/43/72/419684372.db2.gz IGCYGVUXACKVHW-HOCLYGCPSA-N 2 2 294.483 3.329 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283935 419728705 /nfs/dbraw/zinc/72/87/05/419728705.db2.gz FBHIRKTYTIZSGR-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000658283935 419728710 /nfs/dbraw/zinc/72/87/10/419728710.db2.gz FBHIRKTYTIZSGR-DOTOQJQBSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658283138 419729821 /nfs/dbraw/zinc/72/98/21/419729821.db2.gz APSKEVRRACALPQ-PQUAAJSLSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658283138 419729834 /nfs/dbraw/zinc/72/98/34/419729834.db2.gz APSKEVRRACALPQ-PQUAAJSLSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000658288546 419736550 /nfs/dbraw/zinc/73/65/50/419736550.db2.gz VNPSOUWZKPQGLC-YOEHRIQHSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000658288546 419736562 /nfs/dbraw/zinc/73/65/62/419736562.db2.gz VNPSOUWZKPQGLC-YOEHRIQHSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288618 419738824 /nfs/dbraw/zinc/73/88/24/419738824.db2.gz WOVZXQRCSSMMOS-UKRRQHHQSA-N 2 2 293.430 3.027 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288618 419738830 /nfs/dbraw/zinc/73/88/30/419738830.db2.gz WOVZXQRCSSMMOS-UKRRQHHQSA-N 2 2 293.430 3.027 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287260 419739261 /nfs/dbraw/zinc/73/92/61/419739261.db2.gz XZZJNXLORFADFW-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287260 419739273 /nfs/dbraw/zinc/73/92/73/419739273.db2.gz XZZJNXLORFADFW-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCCC1 ZINC000658293357 419741738 /nfs/dbraw/zinc/74/17/38/419741738.db2.gz FZEGFTBXDAMYJR-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263742 419718515 /nfs/dbraw/zinc/71/85/15/419718515.db2.gz LVMCXOVPYORODH-OKDNKWQNSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263742 419718522 /nfs/dbraw/zinc/71/85/22/419718522.db2.gz LVMCXOVPYORODH-OKDNKWQNSA-N 2 2 270.420 3.005 20 0 CGADLP COC1([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000414308570 262840457 /nfs/dbraw/zinc/84/04/57/262840457.db2.gz GGMBDLKGKNDIHZ-CABCVRRESA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000273197026 263013938 /nfs/dbraw/zinc/01/39/38/263013938.db2.gz HWUGDFHGDQLIPZ-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP CCC[NH+]1CCC(Nc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC000037003343 270028550 /nfs/dbraw/zinc/02/85/50/270028550.db2.gz YOLOQJAKJPBFMC-UHFFFAOYSA-N 2 2 290.455 3.214 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094621 270038279 /nfs/dbraw/zinc/03/82/79/270038279.db2.gz MQBGSVULYRAGSI-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097929404 265639631 /nfs/dbraw/zinc/63/96/31/265639631.db2.gz RKKMELUMHXDJIR-INIZCTEOSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222699052 270086170 /nfs/dbraw/zinc/08/61/70/270086170.db2.gz JMFNMZAUCOYETF-DOTOQJQBSA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222699052 270086171 /nfs/dbraw/zinc/08/61/71/270086171.db2.gz JMFNMZAUCOYETF-DOTOQJQBSA-N 2 2 290.451 3.466 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000322524137 270093993 /nfs/dbraw/zinc/09/39/93/270093993.db2.gz NBJQCKMMCCQBCN-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000322524137 270093994 /nfs/dbraw/zinc/09/39/94/270093994.db2.gz NBJQCKMMCCQBCN-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000525874740 270120548 /nfs/dbraw/zinc/12/05/48/270120548.db2.gz HBCQBFGLNYEMSN-HUUCEWRRSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000525874740 270120549 /nfs/dbraw/zinc/12/05/49/270120549.db2.gz HBCQBFGLNYEMSN-HUUCEWRRSA-N 2 2 278.415 3.393 20 0 CGADLP Fc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1F ZINC000526994177 270124253 /nfs/dbraw/zinc/12/42/53/270124253.db2.gz UDMUMXBFFGFQKU-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC12CC2 ZINC000527877469 270141485 /nfs/dbraw/zinc/14/14/85/270141485.db2.gz ZUFYFMBAXNJKKQ-RLFYNMQTSA-N 2 2 299.462 3.385 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000527854618 270139945 /nfs/dbraw/zinc/13/99/45/270139945.db2.gz UCUJNLFPNYLCEQ-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000527854618 270139946 /nfs/dbraw/zinc/13/99/46/270139946.db2.gz UCUJNLFPNYLCEQ-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527889593 270142266 /nfs/dbraw/zinc/14/22/66/270142266.db2.gz GHWXOVSNSKKUIY-ATLSCFEFSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527889593 270142267 /nfs/dbraw/zinc/14/22/67/270142267.db2.gz GHWXOVSNSKKUIY-ATLSCFEFSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991562 270148982 /nfs/dbraw/zinc/14/89/82/270148982.db2.gz VPEBGHUEEDWIIV-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991562 270148983 /nfs/dbraw/zinc/14/89/83/270148983.db2.gz VPEBGHUEEDWIIV-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527998440 270149717 /nfs/dbraw/zinc/14/97/17/270149717.db2.gz DDNYSTZIEXVZBN-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527998440 270149718 /nfs/dbraw/zinc/14/97/18/270149718.db2.gz DDNYSTZIEXVZBN-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014323 270151674 /nfs/dbraw/zinc/15/16/74/270151674.db2.gz UOLIJTXHNLYEOB-RDTXWAMCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014323 270151675 /nfs/dbraw/zinc/15/16/75/270151675.db2.gz UOLIJTXHNLYEOB-RDTXWAMCSA-N 2 2 288.410 3.420 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C)cc[nH+]2)cc1 ZINC000528140182 270155393 /nfs/dbraw/zinc/15/53/93/270155393.db2.gz PSYFHVCWWUQFCC-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(C)cc[nH+]2)cc1 ZINC000528140182 270155394 /nfs/dbraw/zinc/15/53/94/270155394.db2.gz PSYFHVCWWUQFCC-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423556086 274882694 /nfs/dbraw/zinc/88/26/94/274882694.db2.gz MKFHULYMUFBGEE-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1C(F)(F)F ZINC000529530370 270182411 /nfs/dbraw/zinc/18/24/11/270182411.db2.gz FGZLGPNXLLIBJF-VIFPVBQESA-N 2 2 289.326 3.142 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CC(F)(F)C1 ZINC000529623946 270185966 /nfs/dbraw/zinc/18/59/66/270185966.db2.gz WRVDFYRUNHEQEM-QWHCGFSZSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)c(Cl)c1 ZINC000530217169 270195882 /nfs/dbraw/zinc/19/58/82/270195882.db2.gz FONKAYLASVWZAV-HZMBPMFUSA-N 2 2 282.790 3.414 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530217706 270195991 /nfs/dbraw/zinc/19/59/91/270195991.db2.gz HBRARYGNAUZSQD-CVEARBPZSA-N 2 2 274.383 3.151 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(C)c1F ZINC000530219288 270196019 /nfs/dbraw/zinc/19/60/19/270196019.db2.gz LHCLIZMAUQSGIJ-DZGCQCFKSA-N 2 2 276.399 3.378 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(C)ccc1OC ZINC000530219818 270196050 /nfs/dbraw/zinc/19/60/50/270196050.db2.gz NBZYNJXUZYUBHW-NVXWUHKLSA-N 2 2 288.435 3.329 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530242189 270197251 /nfs/dbraw/zinc/19/72/51/270197251.db2.gz ABHFWHIUIDHPPZ-QGZVFWFLSA-N 2 2 282.387 3.321 20 0 CGADLP C[C@]1(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CC[NH2+]C1 ZINC000530245450 270197319 /nfs/dbraw/zinc/19/73/19/270197319.db2.gz XVJHUMJOROYBIY-HNNXBMFYSA-N 2 2 298.352 3.063 20 0 CGADLP C[C@]1(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC[NH2+]C1 ZINC000530245450 270197320 /nfs/dbraw/zinc/19/73/20/270197320.db2.gz XVJHUMJOROYBIY-HNNXBMFYSA-N 2 2 298.352 3.063 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000531938559 270210957 /nfs/dbraw/zinc/21/09/57/270210957.db2.gz PUNKYOXIYLERMD-UYAOXDASSA-N 2 2 294.442 3.436 20 0 CGADLP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000531980189 270212018 /nfs/dbraw/zinc/21/20/18/270212018.db2.gz BMDSJUONPMTBOF-GOSISDBHSA-N 2 2 286.463 3.110 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000531992234 270212202 /nfs/dbraw/zinc/21/22/02/270212202.db2.gz FWMMKAGJFUVVPU-GRDNDAEWSA-N 2 2 288.435 3.137 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000531992234 270212203 /nfs/dbraw/zinc/21/22/03/270212203.db2.gz FWMMKAGJFUVVPU-GRDNDAEWSA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000532213825 270214197 /nfs/dbraw/zinc/21/41/97/270214197.db2.gz KROCMTBXENUYAI-YPMHNXCESA-N 2 2 294.826 3.236 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000532213825 270214198 /nfs/dbraw/zinc/21/41/98/270214198.db2.gz KROCMTBXENUYAI-YPMHNXCESA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296137 270215045 /nfs/dbraw/zinc/21/50/45/270215045.db2.gz JMPNFCSYCPGKDX-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296137 270215046 /nfs/dbraw/zinc/21/50/46/270215046.db2.gz JMPNFCSYCPGKDX-NVXWUHKLSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000532511672 270216461 /nfs/dbraw/zinc/21/64/61/270216461.db2.gz RNIBZRNDGIKPBN-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000532511672 270216462 /nfs/dbraw/zinc/21/64/62/270216462.db2.gz RNIBZRNDGIKPBN-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000423400077 273580007 /nfs/dbraw/zinc/58/00/07/273580007.db2.gz WQRBVRKNADTRAC-CVEARBPZSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000422947343 274259226 /nfs/dbraw/zinc/25/92/26/274259226.db2.gz QHZGGELSDRUHAG-VCTAVGKDSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449352588 274343071 /nfs/dbraw/zinc/34/30/71/274343071.db2.gz VPGBZDYWOGSLBO-UUWFMWQGSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449352588 274343073 /nfs/dbraw/zinc/34/30/73/274343073.db2.gz VPGBZDYWOGSLBO-UUWFMWQGSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000149329445 274570154 /nfs/dbraw/zinc/57/01/54/274570154.db2.gz JDPYIWCBCLJYCB-BBRMVZONSA-N 2 2 255.365 3.111 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCC(C)C)CCC2 ZINC000366207446 274824602 /nfs/dbraw/zinc/82/46/02/274824602.db2.gz BMBPVTMJUGKREK-HIFRSBDPSA-N 2 2 263.429 3.483 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000424183781 275791211 /nfs/dbraw/zinc/79/12/11/275791211.db2.gz WRNUYUNUCMYXCP-LRDDRELGSA-N 2 2 271.364 3.076 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000423400088 275816061 /nfs/dbraw/zinc/81/60/61/275816061.db2.gz WQRBVRKNADTRAC-JKSUJKDBSA-N 2 2 258.409 3.042 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423395512 275816109 /nfs/dbraw/zinc/81/61/09/275816109.db2.gz SUXSRUUAVUEMBQ-DLBZAZTESA-N 2 2 288.435 3.137 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000133176598 275831750 /nfs/dbraw/zinc/83/17/50/275831750.db2.gz ZKGQXYMNJDFLPR-HOCLYGCPSA-N 2 2 258.409 3.042 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423306299 276017572 /nfs/dbraw/zinc/01/75/72/276017572.db2.gz DHPXCSJFVLAGAK-INIZCTEOSA-N 2 2 276.424 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019960381 276174360 /nfs/dbraw/zinc/17/43/60/276174360.db2.gz WOAKNOAOLQCASH-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019960381 276174361 /nfs/dbraw/zinc/17/43/61/276174361.db2.gz WOAKNOAOLQCASH-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000482245301 276252281 /nfs/dbraw/zinc/25/22/81/276252281.db2.gz PSWIPLWZWXLDDY-YQQAZPJKSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000482245301 276252282 /nfs/dbraw/zinc/25/22/82/276252282.db2.gz PSWIPLWZWXLDDY-YQQAZPJKSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770535 276307276 /nfs/dbraw/zinc/30/72/76/276307276.db2.gz FCRLBRKDXGLRSC-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770535 276307277 /nfs/dbraw/zinc/30/72/77/276307277.db2.gz FCRLBRKDXGLRSC-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770535 276307279 /nfs/dbraw/zinc/30/72/79/276307279.db2.gz FCRLBRKDXGLRSC-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093770535 276307281 /nfs/dbraw/zinc/30/72/81/276307281.db2.gz FCRLBRKDXGLRSC-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000423483596 276529704 /nfs/dbraw/zinc/52/97/04/276529704.db2.gz XZXYPMJFMRJQDI-CZUORRHYSA-N 2 2 276.424 3.351 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2ccc(F)cc2C1 ZINC000441062752 277046648 /nfs/dbraw/zinc/04/66/48/277046648.db2.gz MRLQSENSQCXFGX-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2ccc(F)cc2C1 ZINC000441062752 277046649 /nfs/dbraw/zinc/04/66/49/277046649.db2.gz MRLQSENSQCXFGX-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441062752 277046650 /nfs/dbraw/zinc/04/66/50/277046650.db2.gz MRLQSENSQCXFGX-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000441062752 277046651 /nfs/dbraw/zinc/04/66/51/277046651.db2.gz MRLQSENSQCXFGX-KRWDZBQOSA-N 2 2 276.399 3.058 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612749 277354367 /nfs/dbraw/zinc/35/43/67/277354367.db2.gz XFLKHIVFTDFPKB-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612749 277354368 /nfs/dbraw/zinc/35/43/68/277354368.db2.gz XFLKHIVFTDFPKB-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612749 277354369 /nfs/dbraw/zinc/35/43/69/277354369.db2.gz XFLKHIVFTDFPKB-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344612749 277354370 /nfs/dbraw/zinc/35/43/70/277354370.db2.gz XFLKHIVFTDFPKB-OWCLPIDISA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000035732857 277626781 /nfs/dbraw/zinc/62/67/81/277626781.db2.gz ZFIROVXAADHTJG-OLZOCXBDSA-N 2 2 255.365 3.321 20 0 CGADLP COc1cccc2c(N3C[C@H](C)[N@H+](C)C[C@@H]3C)cc(C)[nH+]c12 ZINC000443523880 278025121 /nfs/dbraw/zinc/02/51/21/278025121.db2.gz RPMZFDCDKZXNMO-KBPBESRZSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc(C)[nH+]c12 ZINC000443523880 278025122 /nfs/dbraw/zinc/02/51/22/278025122.db2.gz RPMZFDCDKZXNMO-KBPBESRZSA-N 2 2 299.418 3.081 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373519223 278059100 /nfs/dbraw/zinc/05/91/00/278059100.db2.gz FGMLBKXUGWYCPH-QQFBHYJXSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCCC1)[NH+]1CCC(C)CC1 ZINC000474604063 278210251 /nfs/dbraw/zinc/21/02/51/278210251.db2.gz QOVWMIZRLNEOGW-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338019930 278215781 /nfs/dbraw/zinc/21/57/81/278215781.db2.gz RDTLOOFFRBXHAC-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338019930 278215784 /nfs/dbraw/zinc/21/57/84/278215784.db2.gz RDTLOOFFRBXHAC-HZPDHXFCSA-N 2 2 264.457 3.277 20 0 CGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1nccs1 ZINC000397464748 288023890 /nfs/dbraw/zinc/02/38/90/288023890.db2.gz GGZRTMWSJJZSLC-ZDUSSCGKSA-N 2 2 261.394 3.130 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248202119 278305434 /nfs/dbraw/zinc/30/54/34/278305434.db2.gz YZYMITNTKWBZJB-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248202119 278305438 /nfs/dbraw/zinc/30/54/38/278305438.db2.gz YZYMITNTKWBZJB-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248202119 278305441 /nfs/dbraw/zinc/30/54/41/278305441.db2.gz YZYMITNTKWBZJB-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248202119 278305444 /nfs/dbraw/zinc/30/54/44/278305444.db2.gz YZYMITNTKWBZJB-XNJGSVPQSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427871149 278442657 /nfs/dbraw/zinc/44/26/57/278442657.db2.gz HYLGMTKDSCSZFY-MGPQQGTHSA-N 2 2 261.413 3.002 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1N(C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423054979 288063033 /nfs/dbraw/zinc/06/30/33/288063033.db2.gz CLFWMSNRPXECLN-SJORKVTESA-N 2 2 289.467 3.151 20 0 CGADLP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC000451512688 288073949 /nfs/dbraw/zinc/07/39/49/288073949.db2.gz XQWSVGPUSNYMQQ-SJORKVTESA-N 2 2 299.418 3.084 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459387414 288087534 /nfs/dbraw/zinc/08/75/34/288087534.db2.gz JJJJPSUHXLXIEG-UHFFFAOYSA-N 2 2 281.762 3.082 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000449195686 288091585 /nfs/dbraw/zinc/09/15/85/288091585.db2.gz RHANLKNAFJUPED-RCBQFDQVSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000449195686 288091587 /nfs/dbraw/zinc/09/15/87/288091587.db2.gz RHANLKNAFJUPED-RCBQFDQVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CCC[N@@H+]1C ZINC000342760690 279093687 /nfs/dbraw/zinc/09/36/87/279093687.db2.gz QJGPGBUNTXGCPI-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CCC[N@H+]1C ZINC000342760690 279093688 /nfs/dbraw/zinc/09/36/88/279093688.db2.gz QJGPGBUNTXGCPI-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP CC[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CC1 ZINC000367602707 279206366 /nfs/dbraw/zinc/20/63/66/279206366.db2.gz VRCJAQRNNIRTBM-MRXNPFEDSA-N 2 2 290.455 3.105 20 0 CGADLP CC[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C1CC1 ZINC000367602707 279206368 /nfs/dbraw/zinc/20/63/68/279206368.db2.gz VRCJAQRNNIRTBM-MRXNPFEDSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@H+](C)C1CC1 ZINC000367615477 279348801 /nfs/dbraw/zinc/34/88/01/279348801.db2.gz KWHDOORZCWDJCW-CZUORRHYSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000367615477 279348804 /nfs/dbraw/zinc/34/88/04/279348804.db2.gz KWHDOORZCWDJCW-CZUORRHYSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000178074100 279351214 /nfs/dbraw/zinc/35/12/14/279351214.db2.gz VDMFNWWIQCBWBU-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000178074100 279351216 /nfs/dbraw/zinc/35/12/16/279351216.db2.gz VDMFNWWIQCBWBU-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000268800152 279388659 /nfs/dbraw/zinc/38/86/59/279388659.db2.gz HECMYIMLTLCWPT-OCCSQVGLSA-N 2 2 273.380 3.168 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CCS2 ZINC000423545022 279466893 /nfs/dbraw/zinc/46/68/93/279466893.db2.gz DLXJSQVAPHDMEX-GXTWGEPZSA-N 2 2 280.412 3.094 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000336101210 279523056 /nfs/dbraw/zinc/52/30/56/279523056.db2.gz WOMJVLOEBMOTPQ-SMDDNHRTSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527662046 288184522 /nfs/dbraw/zinc/18/45/22/288184522.db2.gz OOAMORJCBTXCOQ-BVGQSLNGSA-N 2 2 281.403 3.397 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344527099 280287242 /nfs/dbraw/zinc/28/72/42/280287242.db2.gz PIBYDIFJXDMPMP-HZPDHXFCSA-N 2 2 296.499 3.434 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000182000691 280326055 /nfs/dbraw/zinc/32/60/55/280326055.db2.gz NGBULTALWPJEIY-BBRMVZONSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000182000691 280326057 /nfs/dbraw/zinc/32/60/57/280326057.db2.gz NGBULTALWPJEIY-BBRMVZONSA-N 2 2 282.378 3.346 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000494879579 280987888 /nfs/dbraw/zinc/98/78/88/280987888.db2.gz PYICAPORUYKTBC-SRABZTEZSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCO2 ZINC000353624381 281097604 /nfs/dbraw/zinc/09/76/04/281097604.db2.gz PWCBBHMBHQVAPL-ZFWWWQNUSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCCO2 ZINC000353624381 281097605 /nfs/dbraw/zinc/09/76/05/281097605.db2.gz PWCBBHMBHQVAPL-ZFWWWQNUSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCCC1)CC2 ZINC000149516680 281117610 /nfs/dbraw/zinc/11/76/10/281117610.db2.gz PBUHZZVBHSLWSI-QGZVFWFLSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)CC2 ZINC000346802750 281125899 /nfs/dbraw/zinc/12/58/99/281125899.db2.gz UQFBQRLIHDIXLD-XOKHGSTOSA-N 2 2 258.409 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)CC2 ZINC000346802750 281125902 /nfs/dbraw/zinc/12/59/02/281125902.db2.gz UQFBQRLIHDIXLD-XOKHGSTOSA-N 2 2 258.409 3.055 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177485 288294738 /nfs/dbraw/zinc/29/47/38/288294738.db2.gz JCZPWKKIFPMITM-KRWDZBQOSA-N 2 2 288.435 3.240 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177968 288295402 /nfs/dbraw/zinc/29/54/02/288295402.db2.gz MAPAOAXQERYDCJ-MRXNPFEDSA-N 2 2 258.409 3.184 20 0 CGADLP Cc1cccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081557857 281247802 /nfs/dbraw/zinc/24/78/02/281247802.db2.gz XQSUVEBSOBUTAA-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000081557857 281247804 /nfs/dbraw/zinc/24/78/04/281247804.db2.gz XQSUVEBSOBUTAA-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377412755 281377096 /nfs/dbraw/zinc/37/70/96/281377096.db2.gz OLGOMEMPUMOCPX-XHDPSFHLSA-N 2 2 285.391 3.163 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377412755 281377100 /nfs/dbraw/zinc/37/71/00/281377100.db2.gz OLGOMEMPUMOCPX-XHDPSFHLSA-N 2 2 285.391 3.163 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CCC2 ZINC000350082092 281552180 /nfs/dbraw/zinc/55/21/80/281552180.db2.gz ULCWTFPRIAFTAJ-AEGPPILISA-N 2 2 261.413 3.237 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)CCC2 ZINC000353512488 281552214 /nfs/dbraw/zinc/55/22/14/281552214.db2.gz CWQPKZNUSXHKEH-SOUVJXGZSA-N 2 2 279.403 3.187 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531728875 288344188 /nfs/dbraw/zinc/34/41/88/288344188.db2.gz RIZVXSHADKMWEA-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531728875 288344190 /nfs/dbraw/zinc/34/41/90/288344190.db2.gz RIZVXSHADKMWEA-QAPCUYQASA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728969 288344804 /nfs/dbraw/zinc/34/48/04/288344804.db2.gz VARXFAWJECFODV-YOEHRIQHSA-N 2 2 272.436 3.340 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000531728969 288344806 /nfs/dbraw/zinc/34/48/06/288344806.db2.gz VARXFAWJECFODV-YOEHRIQHSA-N 2 2 272.436 3.340 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000467545831 281673758 /nfs/dbraw/zinc/67/37/58/281673758.db2.gz HOWHUMYMDGAQEP-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532193089 288354348 /nfs/dbraw/zinc/35/43/48/288354348.db2.gz OGIZAIXZCDKRNK-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532193089 288354352 /nfs/dbraw/zinc/35/43/52/288354352.db2.gz OGIZAIXZCDKRNK-JKSUJKDBSA-N 2 2 252.446 3.443 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000532194753 288354428 /nfs/dbraw/zinc/35/44/28/288354428.db2.gz QIPURBXDLDVKHX-PBHICJAKSA-N 2 2 269.392 3.186 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532193086 288354597 /nfs/dbraw/zinc/35/45/97/288354597.db2.gz OGIZAIXZCDKRNK-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532193086 288354598 /nfs/dbraw/zinc/35/45/98/288354598.db2.gz OGIZAIXZCDKRNK-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532203404 288355560 /nfs/dbraw/zinc/35/55/60/288355560.db2.gz SFJMKDJMXVAUQT-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532203404 288355561 /nfs/dbraw/zinc/35/55/61/288355561.db2.gz SFJMKDJMXVAUQT-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC000532239579 288357277 /nfs/dbraw/zinc/35/72/77/288357277.db2.gz PPGAETQITOTYKF-QFBILLFUSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)c1 ZINC000532239579 288357281 /nfs/dbraw/zinc/35/72/81/288357281.db2.gz PPGAETQITOTYKF-QFBILLFUSA-N 2 2 286.463 3.248 20 0 CGADLP c1ccc2nc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC000532462382 288362868 /nfs/dbraw/zinc/36/28/68/288362868.db2.gz XYSVUQYHQGIQAS-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000119709864 282042846 /nfs/dbraw/zinc/04/28/46/282042846.db2.gz SWTVSVOOMYCNSC-OAHLLOKOSA-N 2 2 291.464 3.045 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000537012302 288511940 /nfs/dbraw/zinc/51/19/40/288511940.db2.gz LDWYPFJWSROGHQ-DLBZAZTESA-N 2 2 292.492 3.411 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000549228554 289038464 /nfs/dbraw/zinc/03/84/64/289038464.db2.gz LWAPFLKBQIEAGU-BODMPHMZSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000549228554 289038465 /nfs/dbraw/zinc/03/84/65/289038465.db2.gz LWAPFLKBQIEAGU-BODMPHMZSA-N 2 2 272.436 3.251 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000549623714 289049077 /nfs/dbraw/zinc/04/90/77/289049077.db2.gz CUNGCZINVKQPPQ-KMFMINBZSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000549623714 289049079 /nfs/dbraw/zinc/04/90/79/289049079.db2.gz CUNGCZINVKQPPQ-KMFMINBZSA-N 2 2 264.457 3.416 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000552146597 289168384 /nfs/dbraw/zinc/16/83/84/289168384.db2.gz PQRGSKDBQAEYMW-NRSFXHEJSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000552146597 289168386 /nfs/dbraw/zinc/16/83/86/289168386.db2.gz PQRGSKDBQAEYMW-NRSFXHEJSA-N 2 2 290.426 3.377 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000554348740 289273544 /nfs/dbraw/zinc/27/35/44/289273544.db2.gz FPVJSCOEOSYDQR-HZPDHXFCSA-N 2 2 294.508 3.126 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000554880282 289316601 /nfs/dbraw/zinc/31/66/01/289316601.db2.gz DVUOBFSAAMMSPX-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000554880282 289316604 /nfs/dbraw/zinc/31/66/04/289316604.db2.gz DVUOBFSAAMMSPX-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000556100741 289370729 /nfs/dbraw/zinc/37/07/29/289370729.db2.gz HHZWYNAJCGWMPF-OAGGEKHMSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000556100741 289370730 /nfs/dbraw/zinc/37/07/30/289370730.db2.gz HHZWYNAJCGWMPF-OAGGEKHMSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+]1CCOCC1 ZINC000559766457 289554714 /nfs/dbraw/zinc/55/47/14/289554714.db2.gz HVYMTMQDMKTJGV-SJORKVTESA-N 2 2 294.483 3.047 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000561267628 289631300 /nfs/dbraw/zinc/63/13/00/289631300.db2.gz OOKSYFREMDXZEE-NEPJUHHUSA-N 2 2 295.390 3.041 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562017062 289667833 /nfs/dbraw/zinc/66/78/33/289667833.db2.gz RPBMIAISYAGGLR-JKSUJKDBSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293131839 290214872 /nfs/dbraw/zinc/21/48/72/290214872.db2.gz ZWMBTJSORKHWDF-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293131839 290214875 /nfs/dbraw/zinc/21/48/75/290214875.db2.gz ZWMBTJSORKHWDF-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293131839 290214877 /nfs/dbraw/zinc/21/48/77/290214877.db2.gz ZWMBTJSORKHWDF-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293131839 290214881 /nfs/dbraw/zinc/21/48/81/290214881.db2.gz ZWMBTJSORKHWDF-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1([NH3+])CCC1)CCCO2 ZINC000423324025 301284485 /nfs/dbraw/zinc/28/44/85/301284485.db2.gz JYYRRODBILTFRP-CQSZACIVSA-N 2 2 294.826 3.333 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCCO2 ZINC000423322678 301285010 /nfs/dbraw/zinc/28/50/10/301285010.db2.gz ODGALQCGUABNFW-LSDHHAIUSA-N 2 2 294.826 3.189 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423332367 301288982 /nfs/dbraw/zinc/28/89/82/301288982.db2.gz VAIXJSWTPJQFRD-LSDHHAIUSA-N 2 2 294.826 3.189 20 0 CGADLP CC1(c2ccccc2)CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000563870442 322013571 /nfs/dbraw/zinc/01/35/71/322013571.db2.gz VVNMBWZRAFBYGP-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000564827828 322045286 /nfs/dbraw/zinc/04/52/86/322045286.db2.gz PMNXHZRMOSLULN-KSSFIOAISA-N 2 2 284.403 3.077 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159547 322063466 /nfs/dbraw/zinc/06/34/66/322063466.db2.gz ZMKARLAUSIDKLN-QWHCGFSZSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159547 322063468 /nfs/dbraw/zinc/06/34/68/322063468.db2.gz ZMKARLAUSIDKLN-QWHCGFSZSA-N 2 2 283.366 3.035 20 0 CGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000565159320 322063483 /nfs/dbraw/zinc/06/34/83/322063483.db2.gz YMRAYKVKCAGCKZ-MFKMUULPSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000565159320 322063484 /nfs/dbraw/zinc/06/34/84/322063484.db2.gz YMRAYKVKCAGCKZ-MFKMUULPSA-N 2 2 297.240 3.069 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000565931885 322097101 /nfs/dbraw/zinc/09/71/01/322097101.db2.gz ZUAGOTFWKQXBHQ-CABCVRRESA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000565931885 322097102 /nfs/dbraw/zinc/09/71/02/322097102.db2.gz ZUAGOTFWKQXBHQ-CABCVRRESA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)OCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000566089542 322104023 /nfs/dbraw/zinc/10/40/23/322104023.db2.gz MIMQXGWINBUOQM-QAPCUYQASA-N 2 2 290.451 3.232 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566384727 322119756 /nfs/dbraw/zinc/11/97/56/322119756.db2.gz ZVNVNOLSDUDIRV-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566384727 322119758 /nfs/dbraw/zinc/11/97/58/322119758.db2.gz ZVNVNOLSDUDIRV-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000568736789 322220487 /nfs/dbraw/zinc/22/04/87/322220487.db2.gz APGDFSSQQUZIRI-LVDPKSTMSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000568736789 322220488 /nfs/dbraw/zinc/22/04/88/322220488.db2.gz APGDFSSQQUZIRI-LVDPKSTMSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)n1C ZINC000568883761 322226390 /nfs/dbraw/zinc/22/63/90/322226390.db2.gz SVYANNNPFXTMHX-MEDBZGDMSA-N 2 2 261.413 3.033 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1C ZINC000569504768 322249171 /nfs/dbraw/zinc/24/91/71/322249171.db2.gz XWPZHUWUMRHAAU-MEDUHNTESA-N 2 2 289.810 3.407 20 0 CGADLP CC[C@@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000569645185 322252879 /nfs/dbraw/zinc/25/28/79/322252879.db2.gz LCDPZEXCGTVMGF-KRWDZBQOSA-N 2 2 272.436 3.213 20 0 CGADLP CC[C@@H](C[NH2+]CC1(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000569645185 322252881 /nfs/dbraw/zinc/25/28/81/322252881.db2.gz LCDPZEXCGTVMGF-KRWDZBQOSA-N 2 2 272.436 3.213 20 0 CGADLP C[C@@H]([NH2+]C1(C[NH2+]CC(C)(C)O)CCCC1)c1ccccc1 ZINC000569920707 322260506 /nfs/dbraw/zinc/26/05/06/322260506.db2.gz JZRNJEXUJRWSDE-OAHLLOKOSA-N 2 2 290.451 3.011 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128043 322265400 /nfs/dbraw/zinc/26/54/00/322265400.db2.gz RWQBYTGNSCFFSU-WCQYABFASA-N 2 2 266.454 3.357 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128043 322265401 /nfs/dbraw/zinc/26/54/01/322265401.db2.gz RWQBYTGNSCFFSU-WCQYABFASA-N 2 2 266.454 3.357 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000570176313 322267363 /nfs/dbraw/zinc/26/73/63/322267363.db2.gz LYDZBWPAGLMCCH-MRXNPFEDSA-N 2 2 287.407 3.368 20 0 CGADLP Cc1cnccc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000570275733 322269736 /nfs/dbraw/zinc/26/97/36/322269736.db2.gz LXUNLMBRRQIPAF-CRAIPNDOSA-N 2 2 283.419 3.171 20 0 CGADLP CCCC[C@@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000571920441 322312130 /nfs/dbraw/zinc/31/21/30/322312130.db2.gz UMCJYPNQWHQKLZ-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000572226906 322326138 /nfs/dbraw/zinc/32/61/38/322326138.db2.gz NQXIVZWWPQVXPC-IMJJTQAJSA-N 2 2 261.413 3.304 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000572226906 322326141 /nfs/dbraw/zinc/32/61/41/322326141.db2.gz NQXIVZWWPQVXPC-IMJJTQAJSA-N 2 2 261.413 3.304 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(F)cc(F)c21 ZINC000573197566 322375156 /nfs/dbraw/zinc/37/51/56/322375156.db2.gz JODBSASTOQSLBZ-CQSZACIVSA-N 2 2 298.377 3.156 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)n1C ZINC000573221040 322377055 /nfs/dbraw/zinc/37/70/55/322377055.db2.gz XQHDLPUDDWDEKP-ZDUSSCGKSA-N 2 2 289.448 3.307 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573335409 322383244 /nfs/dbraw/zinc/38/32/44/322383244.db2.gz RIJIYJKCSCSBJH-MRXNPFEDSA-N 2 2 298.434 3.236 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573335409 322383248 /nfs/dbraw/zinc/38/32/48/322383248.db2.gz RIJIYJKCSCSBJH-MRXNPFEDSA-N 2 2 298.434 3.236 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573371096 322384476 /nfs/dbraw/zinc/38/44/76/322384476.db2.gz VPEFJEYXHRZZNJ-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573371096 322384477 /nfs/dbraw/zinc/38/44/77/322384477.db2.gz VPEFJEYXHRZZNJ-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccsc1 ZINC000574465244 322442240 /nfs/dbraw/zinc/44/22/40/322442240.db2.gz HKMQIAFYWZUVSE-LSDHHAIUSA-N 2 2 280.481 3.389 20 0 CGADLP COc1ccc[nH+]c1NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000582670730 329122522 /nfs/dbraw/zinc/12/25/22/329122522.db2.gz KWQNXBSHCNPBGL-UHFFFAOYSA-N 2 2 296.374 3.473 20 0 CGADLP F[C@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000582725034 329131056 /nfs/dbraw/zinc/13/10/56/329131056.db2.gz LRJMMQCJWCQADY-NWDGAFQWSA-N 2 2 279.384 3.304 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582853047 329280333 /nfs/dbraw/zinc/28/03/33/329280333.db2.gz ZBSRTRJQLOVMIQ-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000582853047 329280335 /nfs/dbraw/zinc/28/03/35/329280335.db2.gz ZBSRTRJQLOVMIQ-CABCVRRESA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)CCc1ccco1)[NH+](C)C ZINC000035451846 329496581 /nfs/dbraw/zinc/49/65/81/329496581.db2.gz NGGKWTGCGJWWFO-HUUCEWRRSA-N 2 2 266.429 3.167 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(C)CCCCC3)c[nH+]c12 ZINC000174343703 335153036 /nfs/dbraw/zinc/15/30/36/335153036.db2.gz XNSBUVPCBICMFH-UHFFFAOYSA-N 2 2 257.381 3.455 20 0 CGADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346242 335192371 /nfs/dbraw/zinc/19/23/71/335192371.db2.gz HTIFTMPICNJOIY-YKUAXSNGSA-N 2 2 292.373 3.054 20 0 CGADLP Fc1ccc(/C=C\C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000576346242 335192372 /nfs/dbraw/zinc/19/23/72/335192372.db2.gz HTIFTMPICNJOIY-YKUAXSNGSA-N 2 2 292.373 3.054 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949520 335268584 /nfs/dbraw/zinc/26/85/84/335268584.db2.gz IDWUNZNMRINCIH-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949520 335268585 /nfs/dbraw/zinc/26/85/85/335268585.db2.gz IDWUNZNMRINCIH-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949520 335268586 /nfs/dbraw/zinc/26/85/86/335268586.db2.gz IDWUNZNMRINCIH-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2F)C[C@@H]1C ZINC000576949520 335268587 /nfs/dbraw/zinc/26/85/87/335268587.db2.gz IDWUNZNMRINCIH-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000581260249 336033906 /nfs/dbraw/zinc/03/39/06/336033906.db2.gz GYFKBFPZYQEMAA-HUUCEWRRSA-N 2 2 288.439 3.105 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cn2ccccc2[nH+]1 ZINC000581260249 336033907 /nfs/dbraw/zinc/03/39/07/336033907.db2.gz GYFKBFPZYQEMAA-HUUCEWRRSA-N 2 2 288.439 3.105 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085892 533773881 /nfs/dbraw/zinc/77/38/81/533773881.db2.gz NMVDDLUWYFHLON-YJBOKZPZSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000368085892 533773896 /nfs/dbraw/zinc/77/38/96/533773896.db2.gz NMVDDLUWYFHLON-YJBOKZPZSA-N 2 2 296.418 3.279 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1COC(C)(C)C1)c1ccccc1 ZINC000417928159 533785817 /nfs/dbraw/zinc/78/58/17/533785817.db2.gz GZSXCGQJJFYKQL-GOEBONIOSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000414062215 533877027 /nfs/dbraw/zinc/87/70/27/533877027.db2.gz LAZDATBIKPCVOS-HLLBOEOZSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@H](CSC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439023 534137243 /nfs/dbraw/zinc/13/72/43/534137243.db2.gz RBHYAULLMGPHPC-GFCCVEGCSA-N 2 2 281.469 3.229 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC000367854441 534139991 /nfs/dbraw/zinc/13/99/91/534139991.db2.gz AWNZTDBKIQBTJF-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC000367854441 534139999 /nfs/dbraw/zinc/13/99/99/534139999.db2.gz AWNZTDBKIQBTJF-HOCLYGCPSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000449221935 534149460 /nfs/dbraw/zinc/14/94/60/534149460.db2.gz UXLHGFHGZXUPBJ-IIAWOOMASA-N 2 2 271.408 3.291 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423234267 534427869 /nfs/dbraw/zinc/42/78/69/534427869.db2.gz FKMYGPGJNWIFET-MSOLQXFVSA-N 2 2 296.414 3.498 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423234270 534427911 /nfs/dbraw/zinc/42/79/11/534427911.db2.gz FKMYGPGJNWIFET-ZWKOTPCHSA-N 2 2 296.414 3.498 20 0 CGADLP c1cncc([C@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)c1 ZINC000368514245 534510901 /nfs/dbraw/zinc/51/09/01/534510901.db2.gz MCQZFCINWJSZTF-FUHWJXTLSA-N 2 2 287.451 3.183 20 0 CGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000096583289 520748327 /nfs/dbraw/zinc/74/83/27/520748327.db2.gz OMUFNKNPZZFWHR-UHFFFAOYSA-N 2 2 297.402 3.484 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000156572701 522050493 /nfs/dbraw/zinc/05/04/93/522050493.db2.gz ZXQDPCJLCJRAAI-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000156572701 522050503 /nfs/dbraw/zinc/05/05/03/522050503.db2.gz ZXQDPCJLCJRAAI-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161794070 522583188 /nfs/dbraw/zinc/58/31/88/522583188.db2.gz VRALVRODZNWPII-HNNXBMFYSA-N 2 2 279.403 3.137 20 0 CGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424187123 534650014 /nfs/dbraw/zinc/65/00/14/534650014.db2.gz UYCBPVGRHOJCKT-MRXNPFEDSA-N 2 2 290.838 3.447 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CCn2cc[nH+]c2)C(C)C)cc1 ZINC000155746620 524685739 /nfs/dbraw/zinc/68/57/39/524685739.db2.gz HEEODCUYHMPBTP-KRWDZBQOSA-N 2 2 271.408 3.048 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CCS2 ZINC000054764726 526967868 /nfs/dbraw/zinc/96/78/68/526967868.db2.gz JCHGTNAPQJZRNY-GFCCVEGCSA-N 2 2 279.796 3.390 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1(CC)CC ZINC000437118094 527833905 /nfs/dbraw/zinc/83/39/05/527833905.db2.gz VIYWBUUAZQEWPN-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252772 527848907 /nfs/dbraw/zinc/84/89/07/527848907.db2.gz UPZWTHAECQFYTF-IRXDYDNUSA-N 2 2 260.425 3.491 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067613 527934181 /nfs/dbraw/zinc/93/41/81/527934181.db2.gz XRCFTUWWNJLRCZ-ZBFHGGJFSA-N 2 2 278.465 3.099 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067613 527934186 /nfs/dbraw/zinc/93/41/86/527934186.db2.gz XRCFTUWWNJLRCZ-ZBFHGGJFSA-N 2 2 278.465 3.099 20 0 CGADLP CC1(F)CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000449371311 528016300 /nfs/dbraw/zinc/01/63/00/528016300.db2.gz SVSFNKRDIGJHLE-GTPINHCMSA-N 2 2 276.399 3.131 20 0 CGADLP CC1(F)CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449371311 528016307 /nfs/dbraw/zinc/01/63/07/528016307.db2.gz SVSFNKRDIGJHLE-GTPINHCMSA-N 2 2 276.399 3.131 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358247628 528118962 /nfs/dbraw/zinc/11/89/62/528118962.db2.gz IEBXSLSIPHYFTN-OAHLLOKOSA-N 2 2 286.419 3.019 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000358247628 528118969 /nfs/dbraw/zinc/11/89/69/528118969.db2.gz IEBXSLSIPHYFTN-OAHLLOKOSA-N 2 2 286.419 3.019 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424321695 528205706 /nfs/dbraw/zinc/20/57/06/528205706.db2.gz HTCGTJNZHKSXSK-DLBZAZTESA-N 2 2 276.399 3.088 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423249143 528333504 /nfs/dbraw/zinc/33/35/04/528333504.db2.gz RQCRISVRIXZAAR-CQSZACIVSA-N 2 2 254.805 3.236 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423235423 528334744 /nfs/dbraw/zinc/33/47/44/528334744.db2.gz AWOXSCXAYRGYID-SECBINFHSA-N 2 2 261.196 3.254 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000423390385 528421031 /nfs/dbraw/zinc/42/10/31/528421031.db2.gz VWVSYULAVRTAGB-OAHLLOKOSA-N 2 2 268.404 3.364 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000423380129 528423962 /nfs/dbraw/zinc/42/39/62/528423962.db2.gz GXYPBUYLJARGOI-ABAIWWIYSA-N 2 2 270.367 3.250 20 0 CGADLP CC[N@H+](CC[NH2+]C1CCC(OC2CCCC2)CC1)C1CC1 ZINC000449111338 528508905 /nfs/dbraw/zinc/50/89/05/528508905.db2.gz LAEXOMZOHDRKEO-UHFFFAOYSA-N 2 2 294.483 3.331 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CCC(OC2CCCC2)CC1)C1CC1 ZINC000449111338 528508911 /nfs/dbraw/zinc/50/89/11/528508911.db2.gz LAEXOMZOHDRKEO-UHFFFAOYSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000423307270 528514127 /nfs/dbraw/zinc/51/41/27/528514127.db2.gz GNGPGMMVTNEITM-OAHLLOKOSA-N 2 2 278.465 3.430 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312667 528514277 /nfs/dbraw/zinc/51/42/77/528514277.db2.gz SODHXCJUMPVILH-MRXNPFEDSA-N 2 2 271.408 3.135 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Br ZINC000423268735 528516945 /nfs/dbraw/zinc/51/69/45/528516945.db2.gz GIBRXDQAGMXXPJ-NWDGAFQWSA-N 2 2 299.256 3.473 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000358927267 528587700 /nfs/dbraw/zinc/58/77/00/528587700.db2.gz GNHUJNIWFRACNO-MRXNPFEDSA-N 2 2 282.378 3.347 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc21 ZINC000423277452 528700761 /nfs/dbraw/zinc/70/07/61/528700761.db2.gz OCOPRRHSDDABAO-FZMZJTMJSA-N 2 2 288.391 3.219 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])oc21 ZINC000423451754 528700825 /nfs/dbraw/zinc/70/08/25/528700825.db2.gz VHLFAPWSTNPIPO-TUAOUCFPSA-N 2 2 276.380 3.218 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423298282 528821203 /nfs/dbraw/zinc/82/12/03/528821203.db2.gz NXFAJPOOISVBNA-DZGCQCFKSA-N 2 2 280.387 3.147 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423298285 528823962 /nfs/dbraw/zinc/82/39/62/528823962.db2.gz NXFAJPOOISVBNA-ZFWWWQNUSA-N 2 2 280.387 3.147 20 0 CGADLP CCC1(C)CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000437117289 529015779 /nfs/dbraw/zinc/01/57/79/529015779.db2.gz SHASGWCAPIPWSA-UHFFFAOYSA-N 2 2 252.446 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436271389 529092367 /nfs/dbraw/zinc/09/23/67/529092367.db2.gz DTRUROZTXTVRBM-QRVBRYPASA-N 2 2 286.463 3.472 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436271389 529092372 /nfs/dbraw/zinc/09/23/72/529092372.db2.gz DTRUROZTXTVRBM-QRVBRYPASA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000423446284 529179684 /nfs/dbraw/zinc/17/96/84/529179684.db2.gz YYYBVCLVFVSOHO-IAGOWNOFSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000449400869 529212634 /nfs/dbraw/zinc/21/26/34/529212634.db2.gz DNNGSMIQHOSLRH-SWLSCSKDSA-N 2 2 293.436 3.085 20 0 CGADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459328484 535054496 /nfs/dbraw/zinc/05/44/96/535054496.db2.gz QAPQQBMDMFXDCC-UHFFFAOYSA-N 2 2 271.408 3.121 20 0 CGADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459328484 535054502 /nfs/dbraw/zinc/05/45/02/535054502.db2.gz QAPQQBMDMFXDCC-UHFFFAOYSA-N 2 2 271.408 3.121 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000263723777 535152313 /nfs/dbraw/zinc/15/23/13/535152313.db2.gz OZIRECSDDYLCEM-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000263723777 535152320 /nfs/dbraw/zinc/15/23/20/535152320.db2.gz OZIRECSDDYLCEM-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000729681511 571928959 /nfs/dbraw/zinc/92/89/59/571928959.db2.gz AGFRJJGBLDEBGC-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000729681511 571928960 /nfs/dbraw/zinc/92/89/60/571928960.db2.gz AGFRJJGBLDEBGC-PBHICJAKSA-N 2 2 258.409 3.354 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccoc3)CC2)cc1 ZINC000742377749 572570722 /nfs/dbraw/zinc/57/07/22/572570722.db2.gz HMVSGXJCQYZIEE-UHFFFAOYSA-N 2 2 299.418 3.104 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C/C=C\Cl)C1 ZINC000733841933 572606826 /nfs/dbraw/zinc/60/68/26/572606826.db2.gz MTGOAECSMMPASE-PNPSXAPQSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C/C=C\Cl)C1 ZINC000733841933 572606829 /nfs/dbraw/zinc/60/68/29/572606829.db2.gz MTGOAECSMMPASE-PNPSXAPQSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000733841933 572606833 /nfs/dbraw/zinc/60/68/33/572606833.db2.gz MTGOAECSMMPASE-PNPSXAPQSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000733841933 572606836 /nfs/dbraw/zinc/60/68/36/572606836.db2.gz MTGOAECSMMPASE-PNPSXAPQSA-N 2 2 270.848 3.325 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926361320 618559496 /nfs/dbraw/zinc/55/94/96/618559496.db2.gz MEYZSUSPGPMODO-SOUVJXGZSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926361320 618559504 /nfs/dbraw/zinc/55/95/04/618559504.db2.gz MEYZSUSPGPMODO-SOUVJXGZSA-N 2 2 286.410 3.418 20 0 CGADLP Cc1ccc(C)c(C2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000934797449 618692580 /nfs/dbraw/zinc/69/25/80/618692580.db2.gz OAPGNIONPWBDCN-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000892872460 618946473 /nfs/dbraw/zinc/94/64/73/618946473.db2.gz TYKMGCYBTJECCR-UHFFFAOYSA-N 2 2 289.379 3.055 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])s1 ZINC000925647581 619106331 /nfs/dbraw/zinc/10/63/31/619106331.db2.gz DMZPGSWDSCNBHK-ZLDLUXBVSA-N 2 2 289.448 3.233 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000925690544 619138574 /nfs/dbraw/zinc/13/85/74/619138574.db2.gz FOAKYVQFNKPXMP-OASPWFOLSA-N 2 2 282.790 3.065 20 0 CGADLP Cc1cc[nH+]c(N)c1CNc1ccc([NH+]2CCCC2)cc1 ZINC000894104242 619375517 /nfs/dbraw/zinc/37/55/17/619375517.db2.gz YIGDWZUNGWIWKQ-UHFFFAOYSA-N 2 2 282.391 3.185 20 0 CGADLP C[C@@H]([C@@H]1CC1(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112220 619735782 /nfs/dbraw/zinc/73/57/82/619735782.db2.gz OOSOABYRSSLHHG-XUXIUFHCSA-N 2 2 295.377 3.202 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895377224 619815853 /nfs/dbraw/zinc/81/58/53/619815853.db2.gz LHTDVOZZHVTWIL-JSGCOSHPSA-N 2 2 281.469 3.004 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895377224 619815857 /nfs/dbraw/zinc/81/58/57/619815857.db2.gz LHTDVOZZHVTWIL-JSGCOSHPSA-N 2 2 281.469 3.004 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897481203 620347931 /nfs/dbraw/zinc/34/79/31/620347931.db2.gz BGHNJTIGKQBRRQ-KGLIPLIRSA-N 2 2 294.826 3.065 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897481203 620347934 /nfs/dbraw/zinc/34/79/34/620347934.db2.gz BGHNJTIGKQBRRQ-KGLIPLIRSA-N 2 2 294.826 3.065 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000924682675 620561423 /nfs/dbraw/zinc/56/14/23/620561423.db2.gz CZPSPEVHQRGZRG-IHRRRGAJSA-N 2 2 293.455 3.310 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(O)cc(F)c1 ZINC000924711350 620571771 /nfs/dbraw/zinc/57/17/71/620571771.db2.gz GWQXQCMNFDKQBN-LBPRGKRZSA-N 2 2 292.398 3.056 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C1 ZINC000902405182 621308565 /nfs/dbraw/zinc/30/85/65/621308565.db2.gz JMAZMRFHCWKMAS-CABCVRRESA-N 2 2 282.378 3.204 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000902435819 621317769 /nfs/dbraw/zinc/31/77/69/621317769.db2.gz VJGBROLTEGHWHP-DDHJSBNISA-N 2 2 298.352 3.322 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000902440233 621319929 /nfs/dbraw/zinc/31/99/29/621319929.db2.gz XFMVWLZZDYXALO-QRVBRYPASA-N 2 2 278.399 3.352 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2ccccc2s1 ZINC000902468310 621339159 /nfs/dbraw/zinc/33/91/59/621339159.db2.gz UUQUZAISUUYSPY-AHLTXXRQSA-N 2 2 272.417 3.445 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000902720063 621408472 /nfs/dbraw/zinc/40/84/72/621408472.db2.gz DCOOQFLEFGHFAR-KSSFIOAISA-N 2 2 299.418 3.195 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725024 621413020 /nfs/dbraw/zinc/41/30/20/621413020.db2.gz NWZUVPAYOUQNCK-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725024 621413024 /nfs/dbraw/zinc/41/30/24/621413024.db2.gz NWZUVPAYOUQNCK-RCCFBDPRSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]([NH2+]CCCOCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902729622 621415319 /nfs/dbraw/zinc/41/53/19/621415319.db2.gz JYYNPAAAIWBFTJ-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871876 621474788 /nfs/dbraw/zinc/47/47/88/621474788.db2.gz AMVVQLYAGAPVPJ-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP CCC1([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903007051 621530288 /nfs/dbraw/zinc/53/02/88/621530288.db2.gz UPKBTAQTIIBJFV-ZDUSSCGKSA-N 2 2 255.365 3.466 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903054704 621545202 /nfs/dbraw/zinc/54/52/02/621545202.db2.gz OONFOCSTHFWYBN-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903054704 621545207 /nfs/dbraw/zinc/54/52/07/621545207.db2.gz OONFOCSTHFWYBN-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCS1 ZINC000903284089 621651490 /nfs/dbraw/zinc/65/14/90/621651490.db2.gz VNWMOVVHRPXPTC-QLFBSQMISA-N 2 2 282.497 3.267 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCS1 ZINC000903284089 621651492 /nfs/dbraw/zinc/65/14/92/621651492.db2.gz VNWMOVVHRPXPTC-QLFBSQMISA-N 2 2 282.497 3.267 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000903340472 621695819 /nfs/dbraw/zinc/69/58/19/621695819.db2.gz IAMDUKLRJPWLIU-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000903340472 621695827 /nfs/dbraw/zinc/69/58/27/621695827.db2.gz IAMDUKLRJPWLIU-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP FCc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000903717756 621795462 /nfs/dbraw/zinc/79/54/62/621795462.db2.gz VVHKEHLVAUCPJT-UHFFFAOYSA-N 2 2 276.399 3.120 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903725436 621796683 /nfs/dbraw/zinc/79/66/83/621796683.db2.gz ZOUDMCWFMNVMCP-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903725436 621796685 /nfs/dbraw/zinc/79/66/85/621796685.db2.gz ZOUDMCWFMNVMCP-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cnc(Cl)s2)CCC1 ZINC000903816223 621809594 /nfs/dbraw/zinc/80/95/94/621809594.db2.gz WPRQJYRDDOSAEM-GFCCVEGCSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cnc(Cl)s2)CCC1 ZINC000903816223 621809598 /nfs/dbraw/zinc/80/95/98/621809598.db2.gz WPRQJYRDDOSAEM-GFCCVEGCSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC000903849845 621820568 /nfs/dbraw/zinc/82/05/68/621820568.db2.gz IDVKBOQQIUHOJV-AXFHLTTASA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC000903849845 621820571 /nfs/dbraw/zinc/82/05/71/621820571.db2.gz IDVKBOQQIUHOJV-AXFHLTTASA-N 2 2 285.218 3.305 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)CC(F)F ZINC000903921251 621833461 /nfs/dbraw/zinc/83/34/61/621833461.db2.gz NUSSZAFOLZJKHD-CYBMUJFWSA-N 2 2 298.377 3.080 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(OCC2CC2)CC1 ZINC000904341166 621909794 /nfs/dbraw/zinc/90/97/94/621909794.db2.gz JUUBQTUVSYYHGA-HNNXBMFYSA-N 2 2 282.472 3.031 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000904374368 621914060 /nfs/dbraw/zinc/91/40/60/621914060.db2.gz RNDAHTSJKUKSMY-HZPDHXFCSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000904374368 621914067 /nfs/dbraw/zinc/91/40/67/621914067.db2.gz RNDAHTSJKUKSMY-HZPDHXFCSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000904428170 621920089 /nfs/dbraw/zinc/92/00/89/621920089.db2.gz FKTRINGIVBISNK-HUUCEWRRSA-N 2 2 275.440 3.202 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000904468890 621924946 /nfs/dbraw/zinc/92/49/46/621924946.db2.gz GGGRZCQFPAUMPS-UONOGXRCSA-N 2 2 295.496 3.161 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000904468890 621924949 /nfs/dbraw/zinc/92/49/49/621924949.db2.gz GGGRZCQFPAUMPS-UONOGXRCSA-N 2 2 295.496 3.161 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc(C(C)(C)[NH3+])cc3)n2c1 ZINC000904471195 621925750 /nfs/dbraw/zinc/92/57/50/621925750.db2.gz ZZMCHUODDOMCOA-UHFFFAOYSA-N 2 2 294.402 3.449 20 0 CGADLP CC(C)(CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000230318735 623234902 /nfs/dbraw/zinc/23/49/02/623234902.db2.gz RRGCOJURFRQMFS-UHFFFAOYSA-N 2 2 260.425 3.083 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000929991357 624300767 /nfs/dbraw/zinc/30/07/67/624300767.db2.gz GAIDYLQRNHPYFC-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000929991357 624300769 /nfs/dbraw/zinc/30/07/69/624300769.db2.gz GAIDYLQRNHPYFC-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000921816590 625888375 /nfs/dbraw/zinc/88/83/75/625888375.db2.gz GLSOQTUSLLGOSD-KBPBESRZSA-N 2 2 281.831 3.006 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532494 626161707 /nfs/dbraw/zinc/16/17/07/626161707.db2.gz CXKMSOVGJANJBW-UONOGXRCSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532494 626161711 /nfs/dbraw/zinc/16/17/11/626161711.db2.gz CXKMSOVGJANJBW-UONOGXRCSA-N 2 2 272.383 3.030 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+](C)C ZINC000764842176 627228966 /nfs/dbraw/zinc/22/89/66/627228966.db2.gz XRIZXUMYFNVYQE-ZIAGYGMSSA-N 2 2 274.518 3.473 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1(C)C ZINC000765808828 627272372 /nfs/dbraw/zinc/27/23/72/627272372.db2.gz JSXQBQRNDYHJMK-OWCLPIDISA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000766271962 627309813 /nfs/dbraw/zinc/30/98/13/627309813.db2.gz WNJDPHCYPGJOHA-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000766271962 627309816 /nfs/dbraw/zinc/30/98/16/627309816.db2.gz WNJDPHCYPGJOHA-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)c1ccccc1 ZINC000766271411 627310420 /nfs/dbraw/zinc/31/04/20/627310420.db2.gz FYDYDQRFSVIONW-HZPDHXFCSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)c1ccccc1 ZINC000766271411 627310421 /nfs/dbraw/zinc/31/04/21/627310421.db2.gz FYDYDQRFSVIONW-HZPDHXFCSA-N 2 2 274.452 3.427 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381090 627325397 /nfs/dbraw/zinc/32/53/97/627325397.db2.gz GVNMPPXYXZWCNA-RHSMWYFYSA-N 2 2 288.435 3.004 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000766381090 627325399 /nfs/dbraw/zinc/32/53/99/627325399.db2.gz GVNMPPXYXZWCNA-RHSMWYFYSA-N 2 2 288.435 3.004 20 0 CGADLP FC(F)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000769496045 627560076 /nfs/dbraw/zinc/56/00/76/627560076.db2.gz UVBLEFTVIOWESB-UHFFFAOYSA-N 2 2 277.318 3.006 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2c(CC)noc2C)CC1 ZINC000769866516 627584789 /nfs/dbraw/zinc/58/47/89/627584789.db2.gz GNWIAZRDNSLNCU-LBPRGKRZSA-N 2 2 279.428 3.070 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(CCC2)C1 ZINC000772874759 627829663 /nfs/dbraw/zinc/82/96/63/627829663.db2.gz ITIWQKFGTBKWCN-AWEZNQCLSA-N 2 2 261.413 3.220 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000774443397 627991109 /nfs/dbraw/zinc/99/11/09/627991109.db2.gz PVEMUDVPILOONX-YOEHRIQHSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000774443397 627991112 /nfs/dbraw/zinc/99/11/12/627991112.db2.gz PVEMUDVPILOONX-YOEHRIQHSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(N2CCCC2)c1 ZINC000775550067 628105417 /nfs/dbraw/zinc/10/54/17/628105417.db2.gz UXHNZPDEFRTQCW-MRXNPFEDSA-N 2 2 287.451 3.033 20 0 CGADLP c1cn(CCCC[NH2+]Cc2nccc3ccccc32)c[nH+]1 ZINC000776039477 628161001 /nfs/dbraw/zinc/16/10/01/628161001.db2.gz WJYVFZBECQFMMI-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCSCC1 ZINC000779010685 628383335 /nfs/dbraw/zinc/38/33/35/628383335.db2.gz FXIBXUFLZFCPJJ-HIFRSBDPSA-N 2 2 295.496 3.419 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782530085 628652874 /nfs/dbraw/zinc/65/28/74/628652874.db2.gz AFXGGADWNPCMTO-FRRDWIJNSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000782530085 628652878 /nfs/dbraw/zinc/65/28/78/628652878.db2.gz AFXGGADWNPCMTO-FRRDWIJNSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC1(C)C ZINC000785483912 628865898 /nfs/dbraw/zinc/86/58/98/628865898.db2.gz AHOXFHWEIXRBEC-YOEHRIQHSA-N 2 2 287.451 3.285 20 0 CGADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cnc1Cl ZINC000793335732 629444795 /nfs/dbraw/zinc/44/47/95/629444795.db2.gz IWGFZHXIGAWGOZ-UHFFFAOYSA-N 2 2 293.842 3.150 20 0 CGADLP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000863548529 629604344 /nfs/dbraw/zinc/60/43/44/629604344.db2.gz YVFUYBAWKDRYAF-RISCZKNCSA-N 2 2 293.361 3.267 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000865399760 630101824 /nfs/dbraw/zinc/10/18/24/630101824.db2.gz WJBJHWGLPAWSGZ-UHFFFAOYSA-N 2 2 287.407 3.240 20 0 CGADLP FC(F)(F)c1c[nH+]ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000865595659 630211332 /nfs/dbraw/zinc/21/13/32/630211332.db2.gz DCCPUWKWIVFDTC-UHFFFAOYSA-N 2 2 296.296 3.208 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCC2 ZINC000800477616 630284365 /nfs/dbraw/zinc/28/43/65/630284365.db2.gz ZKDQQBHYKLLUFC-UONOGXRCSA-N 2 2 261.413 3.220 20 0 CGADLP Cl/C=C\C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000809562977 630751005 /nfs/dbraw/zinc/75/10/05/630751005.db2.gz LGNQCLAOZJIUQE-CLTKARDFSA-N 2 2 287.794 3.109 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3C[C@@H](C)[C@H]3C)cc2)CC1 ZINC000813863458 631473190 /nfs/dbraw/zinc/47/31/90/631473190.db2.gz LGFLNAJBKNHLHA-IIDMSEBBSA-N 2 2 287.451 3.285 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000815552489 631792809 /nfs/dbraw/zinc/79/28/09/631792809.db2.gz CQSHZNBFERVFAH-CYBMUJFWSA-N 2 2 261.344 3.072 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817971281 632265013 /nfs/dbraw/zinc/26/50/13/632265013.db2.gz BUQLTZGWXMQADI-BDAKNGLRSA-N 2 2 290.238 3.224 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000817973791 632266361 /nfs/dbraw/zinc/26/63/61/632266361.db2.gz WPQWETYWYWQHIR-CZUORRHYSA-N 2 2 276.424 3.050 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC000817984121 632274681 /nfs/dbraw/zinc/27/46/81/632274681.db2.gz NPRXXAFAWJWJNL-JSGCOSHPSA-N 2 2 296.842 3.450 20 0 CGADLP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000821402284 632765052 /nfs/dbraw/zinc/76/50/52/632765052.db2.gz PEBTYIWGYOMGMD-JLJPHGGASA-N 2 2 285.391 3.090 20 0 CGADLP Cc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000866193194 633023387 /nfs/dbraw/zinc/02/33/87/633023387.db2.gz BGFSVUZRCIIHCF-INIZCTEOSA-N 2 2 294.402 3.261 20 0 CGADLP Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000866193194 633023397 /nfs/dbraw/zinc/02/33/97/633023397.db2.gz BGFSVUZRCIIHCF-INIZCTEOSA-N 2 2 294.402 3.261 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC[NH+]1CCCC1 ZINC000866214298 633032062 /nfs/dbraw/zinc/03/20/62/633032062.db2.gz BKHAXRPQYYRRJG-MRXNPFEDSA-N 2 2 297.446 3.241 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000828210725 633585386 /nfs/dbraw/zinc/58/53/86/633585386.db2.gz ACYFMMDEFWYDKE-WMLDXEAASA-N 2 2 287.407 3.194 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000872035663 633953966 /nfs/dbraw/zinc/95/39/66/633953966.db2.gz XYNQYEIMCDRLFZ-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000872035663 633953971 /nfs/dbraw/zinc/95/39/71/633953971.db2.gz XYNQYEIMCDRLFZ-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2F)C1 ZINC000872035904 633954592 /nfs/dbraw/zinc/95/45/92/633954592.db2.gz ZGBFQLPDNSWIPG-UONOGXRCSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2F)C1 ZINC000872035904 633954594 /nfs/dbraw/zinc/95/45/94/633954594.db2.gz ZGBFQLPDNSWIPG-UONOGXRCSA-N 2 2 294.414 3.302 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872088347 634014754 /nfs/dbraw/zinc/01/47/54/634014754.db2.gz QEMQZAMLZRASDB-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872088347 634014757 /nfs/dbraw/zinc/01/47/57/634014757.db2.gz QEMQZAMLZRASDB-JQHSSLGASA-N 2 2 294.483 3.188 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000872090258 634015209 /nfs/dbraw/zinc/01/52/09/634015209.db2.gz OSHRWTQIEWYCEG-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000872090258 634015212 /nfs/dbraw/zinc/01/52/12/634015212.db2.gz OSHRWTQIEWYCEG-NVXWUHKLSA-N 2 2 292.467 3.085 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877676238 635142936 /nfs/dbraw/zinc/14/29/36/635142936.db2.gz ZJKCVWVBIJQBID-LBPRGKRZSA-N 2 2 291.266 3.131 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000877690277 635147993 /nfs/dbraw/zinc/14/79/93/635147993.db2.gz PGCYNBJZQVRODJ-UHFFFAOYSA-N 2 2 264.413 3.203 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878239489 635427854 /nfs/dbraw/zinc/42/78/54/635427854.db2.gz HXJSIMBBGNPUGH-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878239489 635427864 /nfs/dbraw/zinc/42/78/64/635427864.db2.gz HXJSIMBBGNPUGH-ZIAGYGMSSA-N 2 2 274.399 3.274 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000879671759 635831395 /nfs/dbraw/zinc/83/13/95/635831395.db2.gz OIMVZEAIXJZTSW-ZIAGYGMSSA-N 2 2 290.373 3.205 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC/C=C\c1ccccc1 ZINC000880142581 635924117 /nfs/dbraw/zinc/92/41/17/635924117.db2.gz QNTGJSKJYMQBCR-ZWYKBDPPSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC/C=C\c1ccccc1 ZINC000880142581 635924125 /nfs/dbraw/zinc/92/41/25/635924125.db2.gz QNTGJSKJYMQBCR-ZWYKBDPPSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC/C=C\c1ccccc1 ZINC000880142581 635924129 /nfs/dbraw/zinc/92/41/29/635924129.db2.gz QNTGJSKJYMQBCR-ZWYKBDPPSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC/C=C\c1ccccc1 ZINC000880142581 635924132 /nfs/dbraw/zinc/92/41/32/635924132.db2.gz QNTGJSKJYMQBCR-ZWYKBDPPSA-N 2 2 270.420 3.258 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC2CCCC2)c2ccccc2)c[nH+]1 ZINC000880568515 636022804 /nfs/dbraw/zinc/02/28/04/636022804.db2.gz AYHUTZZEIPVPTQ-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP CC(C)Oc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000883259280 636630178 /nfs/dbraw/zinc/63/01/78/636630178.db2.gz IHECHWFXACPUMI-UHFFFAOYSA-N 2 2 296.842 3.311 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345460 636690050 /nfs/dbraw/zinc/69/00/50/636690050.db2.gz COOSOKVIVWDFIE-RDTXWAMCSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345460 636690057 /nfs/dbraw/zinc/69/00/57/636690057.db2.gz COOSOKVIVWDFIE-RDTXWAMCSA-N 2 2 285.435 3.181 20 0 CGADLP CC1(C[NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883344846 636690557 /nfs/dbraw/zinc/69/05/57/636690557.db2.gz KJQPNDHFSRJYNE-KRWDZBQOSA-N 2 2 285.435 3.183 20 0 CGADLP CC1(C[NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883344846 636690560 /nfs/dbraw/zinc/69/05/60/636690560.db2.gz KJQPNDHFSRJYNE-KRWDZBQOSA-N 2 2 285.435 3.183 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387500 636729143 /nfs/dbraw/zinc/72/91/43/636729143.db2.gz YVOBQMNRAZOCLL-PBHICJAKSA-N 2 2 269.392 3.403 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CC[NH2+]CCC34CCC4)cc2c1 ZINC000883460059 636761165 /nfs/dbraw/zinc/76/11/65/636761165.db2.gz OFNRUDOXRKYZFR-UHFFFAOYSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CC[NH2+]CCC34CCC4)cc2c1 ZINC000883460059 636761171 /nfs/dbraw/zinc/76/11/71/636761171.db2.gz OFNRUDOXRKYZFR-UHFFFAOYSA-N 2 2 295.430 3.261 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066181 637119797 /nfs/dbraw/zinc/11/97/97/637119797.db2.gz WXFHOCDGSVSYTD-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000216066181 637119805 /nfs/dbraw/zinc/11/98/05/637119805.db2.gz WXFHOCDGSVSYTD-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000885967257 637336546 /nfs/dbraw/zinc/33/65/46/637336546.db2.gz KYLKSBAQJOLIBU-HZPDHXFCSA-N 2 2 291.439 3.211 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1ccc(Cl)cn1)C(C)C ZINC000886005401 637355235 /nfs/dbraw/zinc/35/52/35/637355235.db2.gz AEANWQYAPNLFHA-UHFFFAOYSA-N 2 2 283.847 3.334 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000222553531 637801617 /nfs/dbraw/zinc/80/16/17/637801617.db2.gz APJAJWLXSFUOFE-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccns1 ZINC000924684603 638388248 /nfs/dbraw/zinc/38/82/48/638388248.db2.gz LKPHFQXVQPOUGW-MGPQQGTHSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(Cl)CC1 ZINC000924885549 638420330 /nfs/dbraw/zinc/42/03/30/638420330.db2.gz GJFWNIROVCEZCC-NWDGAFQWSA-N 2 2 295.858 3.245 20 0 CGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccccn1)C1CCC1)CCC2 ZINC000925170174 638466855 /nfs/dbraw/zinc/46/68/55/638466855.db2.gz LDWRESZETDDXHF-NVXWUHKLSA-N 2 2 296.418 3.287 20 0 CGADLP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)c1 ZINC000925529075 638519800 /nfs/dbraw/zinc/51/98/00/638519800.db2.gz YPBRULNADVQPHV-GOSISDBHSA-N 2 2 293.414 3.123 20 0 CGADLP CCOCCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000925544392 638523112 /nfs/dbraw/zinc/52/31/12/638523112.db2.gz QRFKOLCIGSVVTC-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP CCOCCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000925544392 638523123 /nfs/dbraw/zinc/52/31/23/638523123.db2.gz QRFKOLCIGSVVTC-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(F)c(Cl)c1 ZINC000925560575 638529381 /nfs/dbraw/zinc/52/93/81/638529381.db2.gz ZPZDPJHRGYXCAG-ZTZIUTFPSA-N 2 2 294.801 3.126 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccccc1 ZINC000925599385 638541619 /nfs/dbraw/zinc/54/16/19/638541619.db2.gz YIKUPUBFUFYAPG-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccccc1 ZINC000925670366 638563468 /nfs/dbraw/zinc/56/34/68/638563468.db2.gz KYTCSSZOBGDKAT-PWSUYJOCSA-N 2 2 272.314 3.007 20 0 CGADLP c1cc(N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc2c1[NH2+]CC2 ZINC000925690030 638570150 /nfs/dbraw/zinc/57/01/50/638570150.db2.gz CVNAVHNVARVJTH-WMZOPIPTSA-N 2 2 285.435 3.235 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223723 638745835 /nfs/dbraw/zinc/74/58/35/638745835.db2.gz CXYMRFQXAUZDBX-BFHYXJOUSA-N 2 2 261.413 3.002 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926343980 638764398 /nfs/dbraw/zinc/76/43/98/638764398.db2.gz IJGXODODDKXMKO-MELADBBJSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926343980 638764400 /nfs/dbraw/zinc/76/44/00/638764400.db2.gz IJGXODODDKXMKO-MELADBBJSA-N 2 2 272.383 3.028 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450518 638772664 /nfs/dbraw/zinc/77/26/64/638772664.db2.gz OALNKYREXAMFAN-DVOMOZLQSA-N 2 2 273.424 3.382 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926472495 638774702 /nfs/dbraw/zinc/77/47/02/638774702.db2.gz JWWCWIRWSRFRIB-QFBILLFUSA-N 2 2 297.446 3.267 20 0 CGADLP CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927023219 638832948 /nfs/dbraw/zinc/83/29/48/638832948.db2.gz CQYASOLCPGKDLY-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP CC(F)(F)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990946 638966412 /nfs/dbraw/zinc/96/64/12/638966412.db2.gz DCEWYVYACBCRNQ-LLVKDONJSA-N 2 2 257.328 3.025 20 0 CGADLP CC(F)(F)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990946 638966413 /nfs/dbraw/zinc/96/64/13/638966413.db2.gz DCEWYVYACBCRNQ-LLVKDONJSA-N 2 2 257.328 3.025 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931724597 639196355 /nfs/dbraw/zinc/19/63/55/639196355.db2.gz KLQTUBBHLPXBQH-OIISXLGYSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)c1 ZINC000931724597 639196358 /nfs/dbraw/zinc/19/63/58/639196358.db2.gz KLQTUBBHLPXBQH-OIISXLGYSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000931724597 639196362 /nfs/dbraw/zinc/19/63/62/639196362.db2.gz KLQTUBBHLPXBQH-OIISXLGYSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1cccc([C@@H](C)[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1 ZINC000931724597 639196365 /nfs/dbraw/zinc/19/63/65/639196365.db2.gz KLQTUBBHLPXBQH-OIISXLGYSA-N 2 2 258.409 3.225 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725433 639196505 /nfs/dbraw/zinc/19/65/05/639196505.db2.gz ZXNZGEPMJMOWCG-IKGGRYGDSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931725433 639196512 /nfs/dbraw/zinc/19/65/12/639196512.db2.gz ZXNZGEPMJMOWCG-IKGGRYGDSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725433 639196513 /nfs/dbraw/zinc/19/65/13/639196513.db2.gz ZXNZGEPMJMOWCG-IKGGRYGDSA-N 2 2 258.409 3.306 20 0 CGADLP CC[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931725433 639196521 /nfs/dbraw/zinc/19/65/21/639196521.db2.gz ZXNZGEPMJMOWCG-IKGGRYGDSA-N 2 2 258.409 3.306 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159500355 640049485 /nfs/dbraw/zinc/04/94/85/640049485.db2.gz FOIZRNBCDXHTBG-DOTOQJQBSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000159500355 640049486 /nfs/dbraw/zinc/04/94/86/640049486.db2.gz FOIZRNBCDXHTBG-DOTOQJQBSA-N 2 2 272.436 3.061 20 0 CGADLP C[C@H]([NH2+]CCOC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000193492412 640465450 /nfs/dbraw/zinc/46/54/50/640465450.db2.gz NGLJASOTZJITSO-NSHDSACASA-N 2 2 299.296 3.059 20 0 CGADLP Cc1cc2[nH]c(CC3CC[NH+](C)CC3)[nH+]c2cc1C ZINC001250550428 805688014 /nfs/dbraw/zinc/68/80/14/805688014.db2.gz ALZQXRNGCZBHBB-UHFFFAOYSA-N 2 2 257.381 3.064 20 0 CGADLP COc1ccc(C)[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156928883 805756357 /nfs/dbraw/zinc/75/63/57/805756357.db2.gz PWZGEACSWXZDSY-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP COc1ccc(C)[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001156928883 805756365 /nfs/dbraw/zinc/75/63/65/805756365.db2.gz PWZGEACSWXZDSY-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP CCC[NH+]1C[C@@H]2CN(c3cc(C)c4ccccc4[nH+]3)C[C@H]2C1 ZINC001157692028 805852747 /nfs/dbraw/zinc/85/27/47/805852747.db2.gz SXCXWYSTJFXZQK-HZPDHXFCSA-N 2 2 295.430 3.321 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1cc2ccccc2c[nH+]1 ZINC001158756636 805998290 /nfs/dbraw/zinc/99/82/90/805998290.db2.gz CETHPEFGHNCJMC-UHFFFAOYSA-N 2 2 257.381 3.377 20 0 CGADLP Cc1nc(-n2ccc(C[NH3+])c2)cc(C2CCCCC2)[nH+]1 ZINC001158767445 806001271 /nfs/dbraw/zinc/00/12/71/806001271.db2.gz WWQXSLXHNMQNFK-UHFFFAOYSA-N 2 2 270.380 3.082 20 0 CGADLP Clc1ccc2c(NC3=CC[NH2+]CC3)cc[nH+]c2c1 ZINC001159254583 806065946 /nfs/dbraw/zinc/06/59/46/806065946.db2.gz JNQCTJMFJVCZBN-UHFFFAOYSA-N 2 2 259.740 3.177 20 0 CGADLP CC(C)c1ccc[nH+]c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159417363 806099249 /nfs/dbraw/zinc/09/92/49/806099249.db2.gz XRPGUSPNKFUAMF-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP [NH3+]C1(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2)CCC1 ZINC001159731101 806163625 /nfs/dbraw/zinc/16/36/25/806163625.db2.gz XNHUJZALTVYJCC-UHFFFAOYSA-N 2 2 278.359 3.416 20 0 CGADLP Cc1cc2[nH]ccc2c(-n2c(CC[NH3+])cc3ccccc32)[nH+]1 ZINC001160126497 806225577 /nfs/dbraw/zinc/22/55/77/806225577.db2.gz VTQNVUZOBABPFP-UHFFFAOYSA-N 2 2 290.370 3.316 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530626 806444399 /nfs/dbraw/zinc/44/43/99/806444399.db2.gz ZZQFULJXRNVLAC-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530626 806444405 /nfs/dbraw/zinc/44/44/05/806444405.db2.gz ZZQFULJXRNVLAC-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530626 806444411 /nfs/dbraw/zinc/44/44/11/806444411.db2.gz ZZQFULJXRNVLAC-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001254530626 806444415 /nfs/dbraw/zinc/44/44/15/806444415.db2.gz ZZQFULJXRNVLAC-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830573 806492242 /nfs/dbraw/zinc/49/22/42/806492242.db2.gz HBXCBWGRYYTPJS-SJLPKXTDSA-N 2 2 270.420 3.138 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254832106 806492541 /nfs/dbraw/zinc/49/25/41/806492541.db2.gz CCZIZBLIBJPLLL-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C(C[NH2+][C@H]1CC2CC[NH+](CC2)C1)CC1CCCC1 ZINC001254840734 806496045 /nfs/dbraw/zinc/49/60/45/806496045.db2.gz MXBKRFRLAZHZPJ-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847046 806497018 /nfs/dbraw/zinc/49/70/18/806497018.db2.gz CGMNBIBOAUYNEN-CXAGYDPISA-N 2 2 292.854 3.345 20 0 CGADLP FC1(F)CCC(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846811 806497336 /nfs/dbraw/zinc/49/73/36/806497336.db2.gz VXYMJPNIIVQDFD-HNNXBMFYSA-N 2 2 286.410 3.276 20 0 CGADLP CC(C)(CC1CCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848690 806497386 /nfs/dbraw/zinc/49/73/86/806497386.db2.gz UPVVJKUKQURVDI-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP c1csc([C@@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862572 806502467 /nfs/dbraw/zinc/50/24/67/806502467.db2.gz NCQMJEZDOAOKRI-GJZGRUSLSA-N 2 2 276.449 3.369 20 0 CGADLP c1csc([C@@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862572 806502473 /nfs/dbraw/zinc/50/24/73/806502473.db2.gz NCQMJEZDOAOKRI-GJZGRUSLSA-N 2 2 276.449 3.369 20 0 CGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2Cc3ccccc3C2)c1 ZINC001255020051 806529082 /nfs/dbraw/zinc/52/90/82/806529082.db2.gz RIVIFDYEYRJMTB-UHFFFAOYSA-N 2 2 289.382 3.349 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc3c4c(c2)CCC[NH+]4CCC3)C1 ZINC001162402287 806577614 /nfs/dbraw/zinc/57/76/14/806577614.db2.gz QCGOWJJDRWCCAB-JKSUJKDBSA-N 2 2 285.435 3.067 20 0 CGADLP CC(C)COc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)cc[nH+]1 ZINC001162469876 806592057 /nfs/dbraw/zinc/59/20/57/806592057.db2.gz DZCNVAXEQGYPLH-CABCVRRESA-N 2 2 291.439 3.164 20 0 CGADLP Cc1ccc(NC(=[NH2+])C(C)(C)C)c(C[NH+]2CCOCC2)c1 ZINC001162665447 806643627 /nfs/dbraw/zinc/64/36/27/806643627.db2.gz GPLUMJYUNVJHLX-UHFFFAOYSA-N 2 2 289.423 3.262 20 0 CGADLP Cc1cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])ccc1[NH+](C)C ZINC001162778350 806664988 /nfs/dbraw/zinc/66/49/88/806664988.db2.gz JOFUBSSVSHUNTK-CYBMUJFWSA-N 2 2 294.402 3.420 20 0 CGADLP CCc1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000037924622 798879154 /nfs/dbraw/zinc/87/91/54/798879154.db2.gz KAXJNAFLDGQXSX-CYBMUJFWSA-N 2 2 292.452 3.107 20 0 CGADLP C[C@H](CC(F)(F)F)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001255665068 806698916 /nfs/dbraw/zinc/69/89/16/806698916.db2.gz VFOBIFZACMRDCP-GFCCVEGCSA-N 2 2 278.362 3.278 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000084987806 798941287 /nfs/dbraw/zinc/94/12/87/798941287.db2.gz SUXBHOVPQKYAOA-BZUAXINKSA-N 2 2 252.446 3.133 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000159265151 799073169 /nfs/dbraw/zinc/07/31/69/799073169.db2.gz ARBJDQNEVVMJFP-KRWDZBQOSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255725190 806719940 /nfs/dbraw/zinc/71/99/40/806719940.db2.gz VTLLHXBIXMHNET-OLZOCXBDSA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255725190 806719942 /nfs/dbraw/zinc/71/99/42/806719942.db2.gz VTLLHXBIXMHNET-OLZOCXBDSA-N 2 2 289.345 3.326 20 0 CGADLP Cc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c[nH+]c1C ZINC001163216042 806725924 /nfs/dbraw/zinc/72/59/24/806725924.db2.gz WHFFXYHBLOKPJQ-SJORKVTESA-N 2 2 267.376 3.214 20 0 CGADLP Fc1cc2[nH]c[nH+]c2cc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228500 806730344 /nfs/dbraw/zinc/73/03/44/806730344.db2.gz CBBSMNSBIDGTLC-CYBMUJFWSA-N 2 2 288.351 3.020 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC000340672563 799286600 /nfs/dbraw/zinc/28/66/00/799286600.db2.gz BIDSINPWCKKTES-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC000340672563 799286603 /nfs/dbraw/zinc/28/66/03/799286603.db2.gz BIDSINPWCKKTES-BEFAXECRSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1ccc(SC[C@@H](C)n2cc[nH+]c2CC[NH3+])cc1 ZINC001255753844 806736466 /nfs/dbraw/zinc/73/64/66/806736466.db2.gz YRZRWEQFJMJMTG-CYBMUJFWSA-N 2 2 275.421 3.046 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc(C(C)C)[nH+]1 ZINC001163362031 806746451 /nfs/dbraw/zinc/74/64/51/806746451.db2.gz LWQRRWJFGHCOTE-HIFRSBDPSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)cc(C(C)C)[nH+]1 ZINC001163362031 806746455 /nfs/dbraw/zinc/74/64/55/806746455.db2.gz LWQRRWJFGHCOTE-HIFRSBDPSA-N 2 2 290.455 3.439 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000387447631 799446616 /nfs/dbraw/zinc/44/66/16/799446616.db2.gz UCJRRCGHSGDUMC-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@@H](C)Cc2ccccc2F)CC1 ZINC001255857368 806771554 /nfs/dbraw/zinc/77/15/54/806771554.db2.gz RCXFHWUZGYHFRS-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@@H](C)Cc2ccccc2F)CC1 ZINC001255857368 806771558 /nfs/dbraw/zinc/77/15/58/806771558.db2.gz RCXFHWUZGYHFRS-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccncc1Cl ZINC000704328690 799935784 /nfs/dbraw/zinc/93/57/84/799935784.db2.gz GRLWIAKSFISWBA-AWEZNQCLSA-N 2 2 292.814 3.136 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@H]3CCSC3)cc2)c[nH+]1 ZINC000704845621 799942323 /nfs/dbraw/zinc/94/23/23/799942323.db2.gz OEBWMBUZDNVPGX-HNNXBMFYSA-N 2 2 287.432 3.105 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000708837963 799996938 /nfs/dbraw/zinc/99/69/38/799996938.db2.gz SUHDDEXBLDJTKU-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000708837963 799996946 /nfs/dbraw/zinc/99/69/46/799996946.db2.gz SUHDDEXBLDJTKU-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC001255950290 806795309 /nfs/dbraw/zinc/79/53/09/806795309.db2.gz GYRWJGNWRLQHJE-ZDUSSCGKSA-N 2 2 282.403 3.044 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2cc(F)ccc21 ZINC001255952585 806797194 /nfs/dbraw/zinc/79/71/94/806797194.db2.gz VBQZFCVAMSHWIC-XJKSGUPXSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC001255963848 806803115 /nfs/dbraw/zinc/80/31/15/806803115.db2.gz LOOAEPACAIZISP-INIZCTEOSA-N 2 2 290.451 3.312 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001255963848 806803123 /nfs/dbraw/zinc/80/31/23/806803123.db2.gz LOOAEPACAIZISP-INIZCTEOSA-N 2 2 290.451 3.312 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713244637 800106937 /nfs/dbraw/zinc/10/69/37/800106937.db2.gz VSMVSYTWXRGNAN-UHFFFAOYSA-N 2 2 276.449 3.127 20 0 CGADLP CSc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713244637 800106942 /nfs/dbraw/zinc/10/69/42/800106942.db2.gz VSMVSYTWXRGNAN-UHFFFAOYSA-N 2 2 276.449 3.127 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000714757589 800128230 /nfs/dbraw/zinc/12/82/30/800128230.db2.gz AGGFZYNYJGWPPA-UHFFFAOYSA-N 2 2 258.818 3.105 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000715554638 800138897 /nfs/dbraw/zinc/13/88/97/800138897.db2.gz WTRSUYZXVHTAGR-LEWSCRJBSA-N 2 2 281.469 3.283 20 0 CGADLP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC001256070670 806811229 /nfs/dbraw/zinc/81/12/29/806811229.db2.gz ADTUKABESFJDHS-UHFFFAOYSA-N 2 2 276.399 3.277 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721629438 800298292 /nfs/dbraw/zinc/29/82/92/800298292.db2.gz KEYAZHTXPBCZQD-OAGGEKHMSA-N 2 2 284.488 3.146 20 0 CGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCC(C)C)CC2)c1 ZINC001256372115 806876179 /nfs/dbraw/zinc/87/61/79/806876179.db2.gz HLDGCLCHKKEQTO-OAHLLOKOSA-N 2 2 291.439 3.037 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(CF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519921 806909617 /nfs/dbraw/zinc/90/96/17/806909617.db2.gz HEQYXVXKFMGECZ-GOEBONIOSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519921 806909619 /nfs/dbraw/zinc/90/96/19/806909619.db2.gz HEQYXVXKFMGECZ-GOEBONIOSA-N 2 2 276.399 3.131 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001256569321 806917530 /nfs/dbraw/zinc/91/75/30/806917530.db2.gz ASUQMSMAQJWWQJ-CABCVRRESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001256569321 806917535 /nfs/dbraw/zinc/91/75/35/806917535.db2.gz ASUQMSMAQJWWQJ-CABCVRRESA-N 2 2 264.457 3.371 20 0 CGADLP c1ccc(C[NH+]2CCC([N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001256608580 806925324 /nfs/dbraw/zinc/92/53/24/806925324.db2.gz DOFKMCGSIOHELP-FUHWJXTLSA-N 2 2 270.420 3.135 20 0 CGADLP c1ccc(C[NH+]2CCC([N@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC001256608580 806925326 /nfs/dbraw/zinc/92/53/26/806925326.db2.gz DOFKMCGSIOHELP-FUHWJXTLSA-N 2 2 270.420 3.135 20 0 CGADLP C[C@@H](Cc1ccncc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001256730295 806962186 /nfs/dbraw/zinc/96/21/86/806962186.db2.gz CQIPGUWTPHTJCV-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ncccc21 ZINC001118991508 802625300 /nfs/dbraw/zinc/62/53/00/802625300.db2.gz LRGPLNUCUWADNW-SJORKVTESA-N 2 2 298.434 3.360 20 0 CGADLP CCC1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001256875125 806997718 /nfs/dbraw/zinc/99/77/18/806997718.db2.gz QFFIPWJMDVVMAY-SHARSMKWSA-N 2 2 261.413 3.491 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001256905966 807007856 /nfs/dbraw/zinc/00/78/56/807007856.db2.gz WNXKGTSOKLABBV-MRXNPFEDSA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001256905966 807007862 /nfs/dbraw/zinc/00/78/62/807007862.db2.gz WNXKGTSOKLABBV-MRXNPFEDSA-N 2 2 299.462 3.110 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001205281058 812928502 /nfs/dbraw/zinc/92/85/02/812928502.db2.gz OYIQAHJBIHGDQX-QGZVFWFLSA-N 2 2 285.391 3.045 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001205281058 812928506 /nfs/dbraw/zinc/92/85/06/812928506.db2.gz OYIQAHJBIHGDQX-QGZVFWFLSA-N 2 2 285.391 3.045 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206809940 813443520 /nfs/dbraw/zinc/44/35/20/813443520.db2.gz MMCXRZBAQMYBKR-PWSUYJOCSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206809940 813443521 /nfs/dbraw/zinc/44/35/21/813443521.db2.gz MMCXRZBAQMYBKR-PWSUYJOCSA-N 2 2 284.806 3.347 20 0 CGADLP Oc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(Cl)c1 ZINC001245084435 803637981 /nfs/dbraw/zinc/63/79/81/803637981.db2.gz YBLPHQBNHWMQHN-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1nc2ccccc2s1 ZINC001136957303 803662089 /nfs/dbraw/zinc/66/20/89/803662089.db2.gz ABBFJQQJPOUXQD-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1nc2ccccc2s1 ZINC001136957303 803662090 /nfs/dbraw/zinc/66/20/90/803662090.db2.gz ABBFJQQJPOUXQD-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137379372 803725593 /nfs/dbraw/zinc/72/55/93/803725593.db2.gz RQESCGAIUYPQFW-UHFFFAOYSA-N 2 2 265.445 3.086 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137379372 803725598 /nfs/dbraw/zinc/72/55/98/803725598.db2.gz RQESCGAIUYPQFW-UHFFFAOYSA-N 2 2 265.445 3.086 20 0 CGADLP CC[N@@H+]1CCc2cc(-c3c[nH+]c(N)c(C)c3)ccc2C1 ZINC001245538241 803796200 /nfs/dbraw/zinc/79/62/00/803796200.db2.gz ZHDQAUGTFTUYNB-UHFFFAOYSA-N 2 2 267.376 3.017 20 0 CGADLP CC[N@H+]1CCc2cc(-c3c[nH+]c(N)c(C)c3)ccc2C1 ZINC001245538241 803796205 /nfs/dbraw/zinc/79/62/05/803796205.db2.gz ZHDQAUGTFTUYNB-UHFFFAOYSA-N 2 2 267.376 3.017 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138718339 804016605 /nfs/dbraw/zinc/01/66/05/804016605.db2.gz OPLCDXKDPVHRAG-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138718339 804016607 /nfs/dbraw/zinc/01/66/07/804016607.db2.gz OPLCDXKDPVHRAG-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246064118 804106719 /nfs/dbraw/zinc/10/67/19/804106719.db2.gz FYIIWECJFOTMTE-INIZCTEOSA-N 2 2 254.377 3.072 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246077118 804115931 /nfs/dbraw/zinc/11/59/31/804115931.db2.gz QUGXQWUXFQLWHI-MSOLQXFVSA-N 2 2 268.404 3.297 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246078057 804116567 /nfs/dbraw/zinc/11/65/67/804116567.db2.gz ZLDGGQGZTLLZLK-MNEFBYGVSA-N 2 2 280.415 3.310 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001246079509 804117504 /nfs/dbraw/zinc/11/75/04/804117504.db2.gz ZQSBSHZODUWVRW-SJORKVTESA-N 2 2 286.806 3.097 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001246113323 804144609 /nfs/dbraw/zinc/14/46/09/804144609.db2.gz SSODDYYJLIFGIV-MYBQVCMBSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246141104 804163582 /nfs/dbraw/zinc/16/35/82/804163582.db2.gz KCFXNQFAYGDPAV-KYNGSXCRSA-N 2 2 298.405 3.450 20 0 CGADLP c1ccc(Oc2cccc(CC[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC001246157840 804174231 /nfs/dbraw/zinc/17/42/31/804174231.db2.gz IVRRFCPKYJOTPV-KRWDZBQOSA-N 2 2 296.414 3.363 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246167972 804182152 /nfs/dbraw/zinc/18/21/52/804182152.db2.gz BMFSVSMRFPLIII-ZFWWWQNUSA-N 2 2 284.806 3.345 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196282 804203931 /nfs/dbraw/zinc/20/39/31/804203931.db2.gz SFNCZTQSFMSMNS-KZNAEPCWSA-N 3 2 295.515 3.151 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC001246196282 804203939 /nfs/dbraw/zinc/20/39/39/804203939.db2.gz SFNCZTQSFMSMNS-KZNAEPCWSA-N 3 2 295.515 3.151 20 0 CGADLP c1csc(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)c1 ZINC001246274835 804251857 /nfs/dbraw/zinc/25/18/57/804251857.db2.gz AWRPMJVIMRZHMT-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246278193 804253283 /nfs/dbraw/zinc/25/32/83/804253283.db2.gz FGCAMWBEUUUIFS-VNQPRFMTSA-N 2 2 260.425 3.491 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1Cl ZINC001246293654 804262405 /nfs/dbraw/zinc/26/24/05/804262405.db2.gz OZQVMLNNYCQKEG-DYEKYZERSA-N 2 2 266.816 3.440 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326136 804282135 /nfs/dbraw/zinc/28/21/35/804282135.db2.gz OCJDXYSJCKUVPC-JMSVASOKSA-N 2 2 282.428 3.036 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnc(F)c1 ZINC001139834359 804295342 /nfs/dbraw/zinc/29/53/42/804295342.db2.gz DLKZJKYPVKXVQX-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnc(F)c1 ZINC001139834359 804295347 /nfs/dbraw/zinc/29/53/47/804295347.db2.gz DLKZJKYPVKXVQX-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnc(F)c1 ZINC001139834359 804295350 /nfs/dbraw/zinc/29/53/50/804295350.db2.gz DLKZJKYPVKXVQX-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnc(F)c1 ZINC001139834359 804295356 /nfs/dbraw/zinc/29/53/56/804295356.db2.gz DLKZJKYPVKXVQX-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)C[NH2+]1 ZINC001246348594 804298159 /nfs/dbraw/zinc/29/81/59/804298159.db2.gz SFNZOKBRSSDUNL-UKRRQHHQSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)C[NH2+]1 ZINC001246403591 804321173 /nfs/dbraw/zinc/32/11/73/804321173.db2.gz HLFMXPRNSZZZIM-JLZZUVOBSA-N 2 2 276.399 3.397 20 0 CGADLP Fc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246409975 804324040 /nfs/dbraw/zinc/32/40/40/804324040.db2.gz VQSMXVXBIJBGBI-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001246461459 804342922 /nfs/dbraw/zinc/34/29/22/804342922.db2.gz JHWHITGCEGEIDM-SWLSCSKDSA-N 2 2 268.351 3.148 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+]C2CCC(C(C)C)CC2)c1 ZINC001246510351 804366767 /nfs/dbraw/zinc/36/67/67/804366767.db2.gz LBJKIRXAOGNITQ-JFUPDXTOSA-N 2 2 290.451 3.499 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccccc1 ZINC001246508714 804367906 /nfs/dbraw/zinc/36/79/06/804367906.db2.gz XUQDMZXPDFABTL-QRVBRYPASA-N 2 2 296.414 3.196 20 0 CGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C ZINC001140161942 804390457 /nfs/dbraw/zinc/39/04/57/804390457.db2.gz CXZGDLSKMNQFJZ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C ZINC001140161942 804390465 /nfs/dbraw/zinc/39/04/65/804390465.db2.gz CXZGDLSKMNQFJZ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246543743 804394147 /nfs/dbraw/zinc/39/41/47/804394147.db2.gz TXICTKWNFAJCFY-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246543743 804394156 /nfs/dbraw/zinc/39/41/56/804394156.db2.gz TXICTKWNFAJCFY-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP CCCCCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580453 804425542 /nfs/dbraw/zinc/42/55/42/804425542.db2.gz MVOAPTABBVZBGA-HUUCEWRRSA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580453 804425547 /nfs/dbraw/zinc/42/55/47/804425547.db2.gz MVOAPTABBVZBGA-HUUCEWRRSA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580456 804426511 /nfs/dbraw/zinc/42/65/11/804426511.db2.gz MVOAPTABBVZBGA-LSDHHAIUSA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580456 804426515 /nfs/dbraw/zinc/42/65/15/804426515.db2.gz MVOAPTABBVZBGA-LSDHHAIUSA-N 2 2 258.425 3.498 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588572 804431991 /nfs/dbraw/zinc/43/19/91/804431991.db2.gz WPBORUUWMUGNNP-KKUMJFAQSA-N 2 2 258.425 3.497 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588572 804431995 /nfs/dbraw/zinc/43/19/95/804431995.db2.gz WPBORUUWMUGNNP-KKUMJFAQSA-N 2 2 258.425 3.497 20 0 CGADLP C[C@]1(F)CC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246592389 804432899 /nfs/dbraw/zinc/43/28/99/804432899.db2.gz ZOXZBTMDBAJFGT-KFWWJZLASA-N 2 2 286.410 3.213 20 0 CGADLP C[C@]1(F)CC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246592389 804432906 /nfs/dbraw/zinc/43/29/06/804432906.db2.gz ZOXZBTMDBAJFGT-KFWWJZLASA-N 2 2 286.410 3.213 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610906 804445469 /nfs/dbraw/zinc/44/54/69/804445469.db2.gz CYMIQOHHDLOAAZ-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610906 804445471 /nfs/dbraw/zinc/44/54/71/804445471.db2.gz CYMIQOHHDLOAAZ-YJBOKZPZSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614552 804448471 /nfs/dbraw/zinc/44/84/71/804448471.db2.gz OELVMYKOZKRRMA-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001246614552 804448478 /nfs/dbraw/zinc/44/84/78/804448478.db2.gz OELVMYKOZKRRMA-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615147 804450251 /nfs/dbraw/zinc/45/02/51/804450251.db2.gz QKTSHQLNGCMFSB-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615147 804450257 /nfs/dbraw/zinc/45/02/57/804450257.db2.gz QKTSHQLNGCMFSB-CRAIPNDOSA-N 2 2 290.426 3.365 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246647093 804473666 /nfs/dbraw/zinc/47/36/66/804473666.db2.gz GZVQNQTWZGEWJD-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001246647093 804473668 /nfs/dbraw/zinc/47/36/68/804473668.db2.gz GZVQNQTWZGEWJD-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246646480 804474211 /nfs/dbraw/zinc/47/42/11/804474211.db2.gz FGBSXDICBXMATO-XJKSGUPXSA-N 2 2 294.439 3.134 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001246646480 804474215 /nfs/dbraw/zinc/47/42/15/804474215.db2.gz FGBSXDICBXMATO-XJKSGUPXSA-N 2 2 294.439 3.134 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639728 804481149 /nfs/dbraw/zinc/48/11/49/804481149.db2.gz NYVDAOAWBFKPPS-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639728 804481153 /nfs/dbraw/zinc/48/11/53/804481153.db2.gz NYVDAOAWBFKPPS-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639728 804481156 /nfs/dbraw/zinc/48/11/56/804481156.db2.gz NYVDAOAWBFKPPS-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639728 804481158 /nfs/dbraw/zinc/48/11/58/804481158.db2.gz NYVDAOAWBFKPPS-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663903 804487057 /nfs/dbraw/zinc/48/70/57/804487057.db2.gz NMNAJTPROJAIKV-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663903 804487062 /nfs/dbraw/zinc/48/70/62/804487062.db2.gz NMNAJTPROJAIKV-FGTMMUONSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]1CC([N@H+](C)Cc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246770319 804502551 /nfs/dbraw/zinc/50/25/51/804502551.db2.gz QHXUVDBXXBJVHD-RYUDHWBXSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@H]1CC([N@@H+](C)Cc2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC001246770319 804502557 /nfs/dbraw/zinc/50/25/57/804502557.db2.gz QHXUVDBXXBJVHD-RYUDHWBXSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@@H]1CC([N@@H+]2CCc3c(Cl)cccc3C2)C[C@@H](C)[NH2+]1 ZINC001246845199 804554487 /nfs/dbraw/zinc/55/44/87/804554487.db2.gz DTGYNUNYAUEFRI-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1CC([N@H+]2CCc3c(Cl)cccc3C2)C[C@@H](C)[NH2+]1 ZINC001246845199 804554493 /nfs/dbraw/zinc/55/44/93/804554493.db2.gz DTGYNUNYAUEFRI-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246845180 804554587 /nfs/dbraw/zinc/55/45/87/804554587.db2.gz LIFWSPVHTRZSLU-VVLHAWIVSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246845180 804554593 /nfs/dbraw/zinc/55/45/93/804554593.db2.gz LIFWSPVHTRZSLU-VVLHAWIVSA-N 2 2 282.472 3.390 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246874941 804574732 /nfs/dbraw/zinc/57/47/32/804574732.db2.gz VBCKTPANJUHZAE-CYBMUJFWSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246874941 804574736 /nfs/dbraw/zinc/57/47/36/804574736.db2.gz VBCKTPANJUHZAE-CYBMUJFWSA-N 2 2 278.827 3.229 20 0 CGADLP C[C@H]1CC([N@@H+]2CCc3cccc(Cl)c3C2)C[C@H](C)[NH2+]1 ZINC001246875447 804575457 /nfs/dbraw/zinc/57/54/57/804575457.db2.gz VXXRUYQIELKUDB-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@H]1CC([N@H+]2CCc3cccc(Cl)c3C2)C[C@H](C)[NH2+]1 ZINC001246875447 804575461 /nfs/dbraw/zinc/57/54/61/804575461.db2.gz VXXRUYQIELKUDB-RYUDHWBXSA-N 2 2 278.827 3.227 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246912564 804595697 /nfs/dbraw/zinc/59/56/97/804595697.db2.gz ZCBCSYJMEXLLMJ-ZDUSSCGKSA-N 2 2 282.378 3.317 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246912564 804595700 /nfs/dbraw/zinc/59/57/00/804595700.db2.gz ZCBCSYJMEXLLMJ-ZDUSSCGKSA-N 2 2 282.378 3.317 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946570 804614535 /nfs/dbraw/zinc/61/45/35/804614535.db2.gz QXQBMGGUABEWEF-IRXDYDNUSA-N 2 2 278.415 3.161 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246946570 804614539 /nfs/dbraw/zinc/61/45/39/804614539.db2.gz QXQBMGGUABEWEF-IRXDYDNUSA-N 2 2 278.415 3.161 20 0 CGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC001141234862 804619465 /nfs/dbraw/zinc/61/94/65/804619465.db2.gz ZTYOZOGQCFOAQE-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC001141234862 804619468 /nfs/dbraw/zinc/61/94/68/804619468.db2.gz ZTYOZOGQCFOAQE-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963498 804619845 /nfs/dbraw/zinc/61/98/45/804619845.db2.gz KSQZBWONPAGHTC-RYQLBKOJSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963498 804619849 /nfs/dbraw/zinc/61/98/49/804619849.db2.gz KSQZBWONPAGHTC-RYQLBKOJSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H](CC1CC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978026 804626084 /nfs/dbraw/zinc/62/60/84/804626084.db2.gz IPOQSHDOKOUTJD-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246978026 804626088 /nfs/dbraw/zinc/62/60/88/804626088.db2.gz IPOQSHDOKOUTJD-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001246983515 804627929 /nfs/dbraw/zinc/62/79/29/804627929.db2.gz SSWSETVLOKPJPC-RBSFLKMASA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001246983515 804627934 /nfs/dbraw/zinc/62/79/34/804627934.db2.gz SSWSETVLOKPJPC-RBSFLKMASA-N 2 2 278.465 3.145 20 0 CGADLP [NH3+]Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1 ZINC001247015829 804643398 /nfs/dbraw/zinc/64/33/98/804643398.db2.gz UWYZEEIJNDUTBN-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252735 804962293 /nfs/dbraw/zinc/96/22/93/804962293.db2.gz VUHUHPPLWRYZHV-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252735 804962296 /nfs/dbraw/zinc/96/22/96/804962296.db2.gz VUHUHPPLWRYZHV-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252735 804962301 /nfs/dbraw/zinc/96/23/01/804962301.db2.gz VUHUHPPLWRYZHV-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@H]21 ZINC001144252735 804962302 /nfs/dbraw/zinc/96/23/02/804962302.db2.gz VUHUHPPLWRYZHV-IEBWSBKVSA-N 2 2 295.430 3.003 20 0 CGADLP CCc1cccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c1 ZINC001144326521 804973450 /nfs/dbraw/zinc/97/34/50/804973450.db2.gz DBUMLKOSTKAIHQ-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CCc1cccc(C[NH+]2CCC([N@H+](C)CC)CC2)c1 ZINC001144326521 804973451 /nfs/dbraw/zinc/97/34/51/804973451.db2.gz DBUMLKOSTKAIHQ-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP CC[N@H+](Cc1ccc2scnc2c1)C1CC[NH+](C)CC1 ZINC001144737048 805047571 /nfs/dbraw/zinc/04/75/71/805047571.db2.gz LNZXDQMOZQUCMU-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](Cc1ccc2scnc2c1)C1CC[NH+](C)CC1 ZINC001144737048 805047581 /nfs/dbraw/zinc/04/75/81/805047581.db2.gz LNZXDQMOZQUCMU-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CCSc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001249437593 805147999 /nfs/dbraw/zinc/14/79/99/805147999.db2.gz WMBIVKVTXFATCK-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CCSc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001249437593 805148001 /nfs/dbraw/zinc/14/80/01/805148001.db2.gz WMBIVKVTXFATCK-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CN(c1ccc(CCC[NH+](C)C)c[nH+]1)C1CCCCC1 ZINC001250164817 805453377 /nfs/dbraw/zinc/45/33/77/805453377.db2.gz OVSIXLBPDHIXNU-UHFFFAOYSA-N 2 2 275.440 3.345 20 0 CGADLP COc1ccc2[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c(C)cc2c1 ZINC001154978603 805516994 /nfs/dbraw/zinc/51/69/94/805516994.db2.gz ROIGZUARQREJDQ-UONOGXRCSA-N 2 2 285.391 3.234 20 0 CGADLP CC[NH+](CC)Cc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250320494 805564824 /nfs/dbraw/zinc/56/48/24/805564824.db2.gz MSALLSKRCQOMIT-UHFFFAOYSA-N 2 2 275.371 3.107 20 0 CGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001257286923 807086457 /nfs/dbraw/zinc/08/64/57/807086457.db2.gz NXLPECWIAMTLPU-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP C(C1CCCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC001257664831 807207827 /nfs/dbraw/zinc/20/78/27/807207827.db2.gz YKUXQTUYXSQEDD-JKSUJKDBSA-N 2 2 282.497 3.126 20 0 CGADLP C(C1CCCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC001257664831 807207831 /nfs/dbraw/zinc/20/78/31/807207831.db2.gz YKUXQTUYXSQEDD-JKSUJKDBSA-N 2 2 282.497 3.126 20 0 CGADLP CC(C)OC1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001257877670 807233544 /nfs/dbraw/zinc/23/35/44/807233544.db2.gz UJPHLTRQVXGIHM-UHFFFAOYSA-N 2 2 287.407 3.160 20 0 CGADLP CCCCOc1cc(F)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167915712 807273804 /nfs/dbraw/zinc/27/38/04/807273804.db2.gz XBMWUADIAIDDBU-UHFFFAOYSA-N 2 2 285.388 3.043 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167958243 807287048 /nfs/dbraw/zinc/28/70/48/807287048.db2.gz YUXJBKULLFDVMS-QLPKVWCKSA-N 2 2 267.376 3.103 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167958243 807287052 /nfs/dbraw/zinc/28/70/52/807287052.db2.gz YUXJBKULLFDVMS-QLPKVWCKSA-N 2 2 267.376 3.103 20 0 CGADLP F[C@H]1CCC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387283 807399152 /nfs/dbraw/zinc/39/91/52/807399152.db2.gz BSPIOYWXEPWNOZ-INIZCTEOSA-N 2 2 294.458 3.465 20 0 CGADLP CC1(C)CCC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001258290882 807399749 /nfs/dbraw/zinc/39/97/49/807399749.db2.gz YMCVMBLMJNAQHB-ZIAGYGMSSA-N 2 2 261.413 3.491 20 0 CGADLP CC[C@@H](C)C[C@@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695945 807487050 /nfs/dbraw/zinc/48/70/50/807487050.db2.gz WWEFLYAQHLXHRN-BFYDXBDKSA-N 2 2 289.467 3.456 20 0 CGADLP CC[C@@H](C)C[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168695945 807487056 /nfs/dbraw/zinc/48/70/56/807487056.db2.gz WWEFLYAQHLXHRN-BFYDXBDKSA-N 2 2 289.467 3.456 20 0 CGADLP CCCC1CCC([N@@H+]2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001258534474 807490055 /nfs/dbraw/zinc/49/00/55/807490055.db2.gz FTNXIFLCTVSJBO-DAWZGUTISA-N 2 2 294.483 3.142 20 0 CGADLP CCCC1CCC([N@H+]2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001258534474 807490058 /nfs/dbraw/zinc/49/00/58/807490058.db2.gz FTNXIFLCTVSJBO-DAWZGUTISA-N 2 2 294.483 3.142 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]CC[NH+](CC)CC ZINC001258648486 807521232 /nfs/dbraw/zinc/52/12/32/807521232.db2.gz CFWNVDLZJLXVDV-QGZVFWFLSA-N 2 2 262.441 3.329 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001258650660 807522435 /nfs/dbraw/zinc/52/24/35/807522435.db2.gz DMTMCASONOMWGS-MSOLQXFVSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001258650660 807522437 /nfs/dbraw/zinc/52/24/37/807522437.db2.gz DMTMCASONOMWGS-MSOLQXFVSA-N 2 2 274.452 3.470 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698086 807551724 /nfs/dbraw/zinc/55/17/24/807551724.db2.gz VBRPWLRISIBRIN-TZMCWYRMSA-N 2 2 261.413 3.222 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1C[C@@H](C)CC(C)(C)C1)C2 ZINC001258698086 807551730 /nfs/dbraw/zinc/55/17/30/807551730.db2.gz VBRPWLRISIBRIN-TZMCWYRMSA-N 2 2 261.413 3.222 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001169090161 807572258 /nfs/dbraw/zinc/57/22/58/807572258.db2.gz HXRHLCXUZXNWEH-PHZGNYQRSA-N 2 2 297.402 3.056 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)no1)C2 ZINC001169090161 807572261 /nfs/dbraw/zinc/57/22/61/807572261.db2.gz HXRHLCXUZXNWEH-PHZGNYQRSA-N 2 2 297.402 3.056 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258785819 807611716 /nfs/dbraw/zinc/61/17/16/807611716.db2.gz XLDFMGUMSHCCKG-JYJNAYRXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258785819 807611718 /nfs/dbraw/zinc/61/17/18/807611718.db2.gz XLDFMGUMSHCCKG-JYJNAYRXSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+](Cc1ccccc1F)C1CC[NH+](CC)CC1 ZINC001169263751 807617625 /nfs/dbraw/zinc/61/76/25/807617625.db2.gz ARBXRUXLARQHCB-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)C1CC[NH+](CC)CC1 ZINC001169263751 807617626 /nfs/dbraw/zinc/61/76/26/807617626.db2.gz ARBXRUXLARQHCB-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258843359 807653311 /nfs/dbraw/zinc/65/33/11/807653311.db2.gz BGRBLDKSHSSZAM-INIZCTEOSA-N 2 2 270.376 3.071 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258842986 807653944 /nfs/dbraw/zinc/65/39/44/807653944.db2.gz WLOAEUXYNLKEHF-MOPGFXCFSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258842986 807653950 /nfs/dbraw/zinc/65/39/50/807653950.db2.gz WLOAEUXYNLKEHF-MOPGFXCFSA-N 2 2 286.463 3.472 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258843894 807655489 /nfs/dbraw/zinc/65/54/89/807655489.db2.gz HVIQQOUXBSMLIQ-INIZCTEOSA-N 2 2 260.425 3.034 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258843894 807655491 /nfs/dbraw/zinc/65/54/91/807655491.db2.gz HVIQQOUXBSMLIQ-INIZCTEOSA-N 2 2 260.425 3.034 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258845808 807656763 /nfs/dbraw/zinc/65/67/63/807656763.db2.gz HLNOITBJJZNQBW-INIZCTEOSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258845808 807656765 /nfs/dbraw/zinc/65/67/65/807656765.db2.gz HLNOITBJJZNQBW-INIZCTEOSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258851007 807658954 /nfs/dbraw/zinc/65/89/54/807658954.db2.gz BSJHGONZSSGGJH-KURKYZTESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258851007 807658960 /nfs/dbraw/zinc/65/89/60/807658960.db2.gz BSJHGONZSSGGJH-KURKYZTESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258851007 807658964 /nfs/dbraw/zinc/65/89/64/807658964.db2.gz BSJHGONZSSGGJH-KURKYZTESA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258851007 807658970 /nfs/dbraw/zinc/65/89/70/807658970.db2.gz BSJHGONZSSGGJH-KURKYZTESA-N 2 2 272.436 3.034 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1[nH+]cccc1-n1cccc1 ZINC001169716071 807696680 /nfs/dbraw/zinc/69/66/80/807696680.db2.gz PIYZELHYFVDSEM-UHFFFAOYSA-N 2 2 272.396 3.015 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(-n2ccc(C[NH3+])c2)c1 ZINC001169726404 807698925 /nfs/dbraw/zinc/69/89/25/807698925.db2.gz VXRRCQXDOXHEBX-UHFFFAOYSA-N 2 2 257.381 3.091 20 0 CGADLP CC(C)(C)c1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001169901698 807722435 /nfs/dbraw/zinc/72/24/35/807722435.db2.gz YFDNGMFQFGRLBW-UHFFFAOYSA-N 2 2 298.434 3.029 20 0 CGADLP C[NH+](C)CCOc1cccc(Nc2cccc3[nH+]ccn32)c1 ZINC001212803159 815142693 /nfs/dbraw/zinc/14/26/93/815142693.db2.gz RMGXKHZTAKEIRU-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170242550 807800975 /nfs/dbraw/zinc/80/09/75/807800975.db2.gz JOJMFBBMASYQQF-ZDUSSCGKSA-N 2 2 268.832 3.202 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC001170248132 807802436 /nfs/dbraw/zinc/80/24/36/807802436.db2.gz MUZSINBIBFOLEA-ZDUSSCGKSA-N 2 2 277.799 3.147 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC001170729210 807889758 /nfs/dbraw/zinc/88/97/58/807889758.db2.gz BMOHJAAFXPKYND-XOUADPBQSA-N 2 2 262.441 3.028 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC001170729210 807889760 /nfs/dbraw/zinc/88/97/60/807889760.db2.gz BMOHJAAFXPKYND-XOUADPBQSA-N 2 2 262.441 3.028 20 0 CGADLP CC1(C)[C@@H]2C[C@@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C[C@@H]21 ZINC001170764017 807901136 /nfs/dbraw/zinc/90/11/36/807901136.db2.gz DXISZXFCDUBQLC-PHZGNYQRSA-N 2 2 285.435 3.075 20 0 CGADLP CC(C)[N@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170768396 807904335 /nfs/dbraw/zinc/90/43/35/807904335.db2.gz XLKUEZIUQGEZBC-PHZGNYQRSA-N 2 2 264.457 3.226 20 0 CGADLP CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170768396 807904338 /nfs/dbraw/zinc/90/43/38/807904338.db2.gz XLKUEZIUQGEZBC-PHZGNYQRSA-N 2 2 264.457 3.226 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016841 807961093 /nfs/dbraw/zinc/96/10/93/807961093.db2.gz BPYSOSIQOUXHJY-GJZGRUSLSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171016841 807961099 /nfs/dbraw/zinc/96/10/99/807961099.db2.gz BPYSOSIQOUXHJY-GJZGRUSLSA-N 2 2 292.854 3.270 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171016969 807961525 /nfs/dbraw/zinc/96/15/25/807961525.db2.gz CYSQACMMBBPPLP-HIFRSBDPSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092931 807981242 /nfs/dbraw/zinc/98/12/42/807981242.db2.gz BJEQWPZYXRVQKD-IRXDYDNUSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092931 807981244 /nfs/dbraw/zinc/98/12/44/807981244.db2.gz BJEQWPZYXRVQKD-IRXDYDNUSA-N 2 2 292.854 3.270 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2COc3ccccc32)CC1(C)C ZINC001171623323 808106905 /nfs/dbraw/zinc/10/69/05/808106905.db2.gz UBLAUVVIFLDTMF-HNNXBMFYSA-N 2 2 288.435 3.361 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC001171654260 808112535 /nfs/dbraw/zinc/11/25/35/808112535.db2.gz PRGZPBCERPGFKI-MRXNPFEDSA-N 2 2 260.425 3.002 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360943 808254844 /nfs/dbraw/zinc/25/48/44/808254844.db2.gz LIQGFFKPXNWAGI-HZPDHXFCSA-N 2 2 284.488 3.385 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360943 808254850 /nfs/dbraw/zinc/25/48/50/808254850.db2.gz LIQGFFKPXNWAGI-HZPDHXFCSA-N 2 2 284.488 3.385 20 0 CGADLP CC[C@H](CC(C)C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001172407572 808295717 /nfs/dbraw/zinc/29/57/17/808295717.db2.gz OTFNBWHLTVDFPI-QGZVFWFLSA-N 3 2 285.520 3.017 20 0 CGADLP [NH3+]CCc1[nH+]ccn1C1CCC(Cc2ccccc2)CC1 ZINC001172818721 808444685 /nfs/dbraw/zinc/44/46/85/808444685.db2.gz QYVZQGKIHQRELS-UHFFFAOYSA-N 2 2 283.419 3.358 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818716 808444707 /nfs/dbraw/zinc/44/47/07/808444707.db2.gz QQHBRWWPVBFOQR-CTWPCTMYSA-N 2 2 286.463 3.472 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818716 808444711 /nfs/dbraw/zinc/44/47/11/808444711.db2.gz QQHBRWWPVBFOQR-CTWPCTMYSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)n1cc[nH+]c1CC[NH3+] ZINC001172874704 808472140 /nfs/dbraw/zinc/47/21/40/808472140.db2.gz IARQWLVJHIUBOI-LLVKDONJSA-N 2 2 295.839 3.391 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]CC[NH+](CC)CC)cc1 ZINC001173237759 808546345 /nfs/dbraw/zinc/54/63/45/808546345.db2.gz MDNAUGNRFNHWFF-OAHLLOKOSA-N 2 2 262.441 3.111 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001173248774 808556232 /nfs/dbraw/zinc/55/62/32/808556232.db2.gz IEQULOWAKPQCNK-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001173248774 808556237 /nfs/dbraw/zinc/55/62/37/808556237.db2.gz IEQULOWAKPQCNK-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285479 808585159 /nfs/dbraw/zinc/58/51/59/808585159.db2.gz WKDBVLCAAWUDTC-HOCLYGCPSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+](C(C)C)C2CC[NH+](C)CC2)C1 ZINC001173285479 808585164 /nfs/dbraw/zinc/58/51/64/808585164.db2.gz WKDBVLCAAWUDTC-HOCLYGCPSA-N 2 2 252.446 3.370 20 0 CGADLP CCOc1cc[nH+]cc1Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001213071602 815220263 /nfs/dbraw/zinc/22/02/63/815220263.db2.gz ZTBIKDJUMYSYMY-UHFFFAOYSA-N 2 2 268.320 3.409 20 0 CGADLP CCSC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001173294794 808595199 /nfs/dbraw/zinc/59/51/99/808595199.db2.gz HUQZPKBTBQGTOI-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP CCSC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001173294794 808595203 /nfs/dbraw/zinc/59/52/03/808595203.db2.gz HUQZPKBTBQGTOI-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC001173338679 808618509 /nfs/dbraw/zinc/61/85/09/808618509.db2.gz JXHVSESUCOKZEE-HNNXBMFYSA-N 2 2 261.413 3.366 20 0 CGADLP Cc1[nH+]c2ccccn2c1Nc1cc[nH+]c2ccccc12 ZINC001174038323 808835587 /nfs/dbraw/zinc/83/55/87/808835587.db2.gz BLSVQLGZPWDPFR-UHFFFAOYSA-N 2 2 274.327 3.356 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275054821 808901905 /nfs/dbraw/zinc/90/19/05/808901905.db2.gz LFXMHTCKBVJRJX-GOSISDBHSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275054821 808901907 /nfs/dbraw/zinc/90/19/07/808901907.db2.gz LFXMHTCKBVJRJX-GOSISDBHSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275054821 808901909 /nfs/dbraw/zinc/90/19/09/808901909.db2.gz LFXMHTCKBVJRJX-GOSISDBHSA-N 2 2 289.467 3.349 20 0 CGADLP CC(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275054821 808901912 /nfs/dbraw/zinc/90/19/12/808901912.db2.gz LFXMHTCKBVJRJX-GOSISDBHSA-N 2 2 289.467 3.349 20 0 CGADLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc(F)c1F ZINC001276846508 809037557 /nfs/dbraw/zinc/03/75/57/809037557.db2.gz WGMFGNXCFVELJD-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc(F)c1F ZINC001276846508 809037563 /nfs/dbraw/zinc/03/75/63/809037563.db2.gz WGMFGNXCFVELJD-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc(F)c1F ZINC001276846508 809037571 /nfs/dbraw/zinc/03/75/71/809037571.db2.gz WGMFGNXCFVELJD-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc(F)c1F ZINC001276846508 809037578 /nfs/dbraw/zinc/03/75/78/809037578.db2.gz WGMFGNXCFVELJD-KRWDZBQOSA-N 2 2 294.389 3.191 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807031 809098195 /nfs/dbraw/zinc/09/81/95/809098195.db2.gz KHYNDZNFVCDWSD-FUHWJXTLSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807031 809098197 /nfs/dbraw/zinc/09/81/97/809098197.db2.gz KHYNDZNFVCDWSD-FUHWJXTLSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807031 809098198 /nfs/dbraw/zinc/09/81/98/809098198.db2.gz KHYNDZNFVCDWSD-FUHWJXTLSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807031 809098201 /nfs/dbraw/zinc/09/82/01/809098201.db2.gz KHYNDZNFVCDWSD-FUHWJXTLSA-N 2 2 289.467 3.491 20 0 CGADLP CN(C)c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC001175342884 809366693 /nfs/dbraw/zinc/36/66/93/809366693.db2.gz ADNHOGSEESBAAB-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP CC[NH+]1CCN(c2ccc(Nc3cccc(C)[nH+]3)cc2)CC1 ZINC001175779488 809541154 /nfs/dbraw/zinc/54/11/54/809541154.db2.gz ILFGKOHPZFSDCZ-UHFFFAOYSA-N 2 2 296.418 3.276 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918012 810130493 /nfs/dbraw/zinc/13/04/93/810130493.db2.gz HHUDJPZJYLIEFC-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918012 810130497 /nfs/dbraw/zinc/13/04/97/810130497.db2.gz HHUDJPZJYLIEFC-IXDOHACOSA-N 2 2 264.457 3.418 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001183238306 810141693 /nfs/dbraw/zinc/14/16/93/810141693.db2.gz JSHJOEJCWKUKLL-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001183238306 810141697 /nfs/dbraw/zinc/14/16/97/810141697.db2.gz JSHJOEJCWKUKLL-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001199207861 811563872 /nfs/dbraw/zinc/56/38/72/811563872.db2.gz DMKSJSOKRVXXOO-OAHLLOKOSA-N 2 2 283.419 3.404 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc3scnc3c2)c[nH+]1 ZINC001199648134 811582815 /nfs/dbraw/zinc/58/28/15/811582815.db2.gz FALKVMFLYAZLLY-UHFFFAOYSA-N 2 2 286.404 3.063 20 0 CGADLP CC(C)C1CCC(C[NH2+]C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001200873058 811760260 /nfs/dbraw/zinc/76/02/60/811760260.db2.gz YNPZNHAIRBSMFK-OFLPRAFFSA-N 2 2 298.540 3.476 20 0 CGADLP CCOc1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203547785 812388455 /nfs/dbraw/zinc/38/84/55/812388455.db2.gz YFMPITJRZPVUPQ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203547785 812388463 /nfs/dbraw/zinc/38/84/63/812388463.db2.gz YFMPITJRZPVUPQ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP OCc1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001203717643 812440495 /nfs/dbraw/zinc/44/04/95/812440495.db2.gz JBAIFYJQWIEBHV-UHFFFAOYSA-N 2 2 283.375 3.308 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204772670 812732563 /nfs/dbraw/zinc/73/25/63/812732563.db2.gz XRUKFYFEZYRHQL-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204772670 812732570 /nfs/dbraw/zinc/73/25/70/812732570.db2.gz XRUKFYFEZYRHQL-GOSISDBHSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204810177 812743607 /nfs/dbraw/zinc/74/36/07/812743607.db2.gz OLODJWKJRLBEBI-QGZVFWFLSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc(C)c1OC(C)C ZINC001204810177 812743613 /nfs/dbraw/zinc/74/36/13/812743613.db2.gz OLODJWKJRLBEBI-QGZVFWFLSA-N 2 2 276.424 3.014 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204877779 812762334 /nfs/dbraw/zinc/76/23/34/812762334.db2.gz PKQAZXQRFFMFIK-ZDUSSCGKSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001204877779 812762338 /nfs/dbraw/zinc/76/23/38/812762338.db2.gz PKQAZXQRFFMFIK-ZDUSSCGKSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204884853 812764002 /nfs/dbraw/zinc/76/40/02/812764002.db2.gz AMTYZYNGOMMYQV-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204884853 812764008 /nfs/dbraw/zinc/76/40/08/812764008.db2.gz AMTYZYNGOMMYQV-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001205018876 812827316 /nfs/dbraw/zinc/82/73/16/812827316.db2.gz ZNXUBFWXYHCHIT-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2SC)C1 ZINC001205018876 812827324 /nfs/dbraw/zinc/82/73/24/812827324.db2.gz ZNXUBFWXYHCHIT-GFCCVEGCSA-N 2 2 298.883 3.493 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC001205102588 812866769 /nfs/dbraw/zinc/86/67/69/812866769.db2.gz TXOZWZDRVXMMEW-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC001205102588 812866782 /nfs/dbraw/zinc/86/67/82/812866782.db2.gz TXOZWZDRVXMMEW-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205124534 812877896 /nfs/dbraw/zinc/87/78/96/812877896.db2.gz ULUKKIMANCALEN-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1F ZINC001205124534 812877901 /nfs/dbraw/zinc/87/79/01/812877901.db2.gz ULUKKIMANCALEN-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001205729950 813061511 /nfs/dbraw/zinc/06/15/11/813061511.db2.gz WLZKZGRMKFQJEN-KGLIPLIRSA-N 2 2 280.481 3.269 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829966 813100680 /nfs/dbraw/zinc/10/06/80/813100680.db2.gz QDTXNFPZYLFIFA-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829966 813100683 /nfs/dbraw/zinc/10/06/83/813100683.db2.gz QDTXNFPZYLFIFA-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205853692 813108287 /nfs/dbraw/zinc/10/82/87/813108287.db2.gz IWWARDFUIHBSCG-ZFWWWQNUSA-N 2 2 278.465 3.358 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205853692 813108290 /nfs/dbraw/zinc/10/82/90/813108290.db2.gz IWWARDFUIHBSCG-ZFWWWQNUSA-N 2 2 278.465 3.358 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205902058 813125273 /nfs/dbraw/zinc/12/52/73/813125273.db2.gz HCNWNQHDAWHFOE-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205902058 813125275 /nfs/dbraw/zinc/12/52/75/813125275.db2.gz HCNWNQHDAWHFOE-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001205902850 813125302 /nfs/dbraw/zinc/12/53/02/813125302.db2.gz MAFZWWJJJIDHJC-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001205902850 813125305 /nfs/dbraw/zinc/12/53/05/813125305.db2.gz MAFZWWJJJIDHJC-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(F)cc1Cl ZINC001205925761 813137282 /nfs/dbraw/zinc/13/72/82/813137282.db2.gz ZGMKCUWPRLAQPG-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(F)cc1Cl ZINC001205925761 813137287 /nfs/dbraw/zinc/13/72/87/813137287.db2.gz ZGMKCUWPRLAQPG-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@H]1F ZINC001206163919 813221143 /nfs/dbraw/zinc/22/11/43/813221143.db2.gz HWCDGRDWRULURD-ZIAGYGMSSA-N 2 2 295.789 3.083 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@H]1F ZINC001206163919 813221147 /nfs/dbraw/zinc/22/11/47/813221147.db2.gz HWCDGRDWRULURD-ZIAGYGMSSA-N 2 2 295.789 3.083 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206736137 813412219 /nfs/dbraw/zinc/41/22/19/813412219.db2.gz DLMCTCKIFNATJZ-UHFFFAOYSA-N 2 2 270.380 3.465 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCOCc2ccccc2)CC1 ZINC001207235287 813519323 /nfs/dbraw/zinc/51/93/23/813519323.db2.gz GTCQECVIVMVLGN-UHFFFAOYSA-N 2 2 290.451 3.009 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]CC[N@@H+]2CCC(C)(C)C2)c1 ZINC001207763243 813647533 /nfs/dbraw/zinc/64/75/33/813647533.db2.gz NJZWOKGBPUJICW-UHFFFAOYSA-N 2 2 274.452 3.167 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]CC[N@H+]2CCC(C)(C)C2)c1 ZINC001207763243 813647536 /nfs/dbraw/zinc/64/75/36/813647536.db2.gz NJZWOKGBPUJICW-UHFFFAOYSA-N 2 2 274.452 3.167 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCc3cc(F)ccc3C2)CCCC1 ZINC001208188160 813738228 /nfs/dbraw/zinc/73/82/28/813738228.db2.gz UIWYIYUQAALVQW-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCc3cc(F)ccc3C2)CCCC1 ZINC001208188160 813738230 /nfs/dbraw/zinc/73/82/30/813738230.db2.gz UIWYIYUQAALVQW-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCC(C)(C)c1ccccc1)C2 ZINC001208667767 813791408 /nfs/dbraw/zinc/79/14/08/813791408.db2.gz YVYAAERBIUAKSB-UHFFFAOYSA-N 2 2 283.419 3.375 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCC(C)(C)c1ccccc1)C2 ZINC001208667767 813791409 /nfs/dbraw/zinc/79/14/09/813791409.db2.gz YVYAAERBIUAKSB-UHFFFAOYSA-N 2 2 283.419 3.375 20 0 CGADLP CC[N@H+](C[C@H](C)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208701304 813804621 /nfs/dbraw/zinc/80/46/21/813804621.db2.gz WSJAESBSQWZNIA-INIZCTEOSA-N 2 2 290.451 3.008 20 0 CGADLP CC[N@@H+](C[C@H](C)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208701304 813804633 /nfs/dbraw/zinc/80/46/33/813804633.db2.gz WSJAESBSQWZNIA-INIZCTEOSA-N 2 2 290.451 3.008 20 0 CGADLP CC[N@H+](CCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001208740940 813829947 /nfs/dbraw/zinc/82/99/47/813829947.db2.gz JUEIVYBYKRRULN-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP CC[N@@H+](CCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001208740940 813829955 /nfs/dbraw/zinc/82/99/55/813829955.db2.gz JUEIVYBYKRRULN-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCCOCc1ccccc1)C2 ZINC001209253644 813984308 /nfs/dbraw/zinc/98/43/08/813984308.db2.gz MZSJALFMCRANLN-UHFFFAOYSA-N 2 2 299.418 3.004 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCCOCc1ccccc1)C2 ZINC001209253644 813984314 /nfs/dbraw/zinc/98/43/14/813984314.db2.gz MZSJALFMCRANLN-UHFFFAOYSA-N 2 2 299.418 3.004 20 0 CGADLP Cc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]c1N ZINC001242689327 823100993 /nfs/dbraw/zinc/10/09/93/823100993.db2.gz ISMDQHYGZXXAGW-AWEZNQCLSA-N 2 2 257.381 3.004 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210497912 814489755 /nfs/dbraw/zinc/48/97/55/814489755.db2.gz POFJPSBRUSZMIZ-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210497912 814489758 /nfs/dbraw/zinc/48/97/58/814489758.db2.gz POFJPSBRUSZMIZ-OAHLLOKOSA-N 2 2 276.424 3.049 20 0 CGADLP CCOc1cc[nH+]cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706759 814591058 /nfs/dbraw/zinc/59/10/58/814591058.db2.gz ZOILVHQOHSMTAQ-HNNXBMFYSA-N 2 2 287.407 3.424 20 0 CGADLP CNc1cc(Nc2ccc[nH+]c2N2CCCCC2)cc[nH+]1 ZINC001216331397 815786380 /nfs/dbraw/zinc/78/63/80/815786380.db2.gz RSHKTIWHASAOSE-UHFFFAOYSA-N 2 2 283.379 3.252 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222282889 816395142 /nfs/dbraw/zinc/39/51/42/816395142.db2.gz QGBIFUXFVBLZRI-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001222282889 816395149 /nfs/dbraw/zinc/39/51/49/816395149.db2.gz QGBIFUXFVBLZRI-LJQANCHMSA-N 2 2 296.414 3.176 20 0 CGADLP Cc1ccccc1-c1ccccc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380166 816423574 /nfs/dbraw/zinc/42/35/74/816423574.db2.gz URSMCYOIOBGOLQ-UHFFFAOYSA-N 2 2 292.426 3.457 20 0 CGADLP c1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccnc2c1 ZINC001222384963 816426278 /nfs/dbraw/zinc/42/62/78/816426278.db2.gz CKVXKRBPOMJBMK-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccnc2c1 ZINC001222384963 816426283 /nfs/dbraw/zinc/42/62/83/816426283.db2.gz CKVXKRBPOMJBMK-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP Fc1ccccc1CCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385479 816426410 /nfs/dbraw/zinc/42/64/10/816426410.db2.gz OEMUQXSYICHTNJ-GOSISDBHSA-N 2 2 290.426 3.366 20 0 CGADLP Fc1ccccc1CCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385479 816426414 /nfs/dbraw/zinc/42/64/14/816426414.db2.gz OEMUQXSYICHTNJ-GOSISDBHSA-N 2 2 290.426 3.366 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)s1 ZINC001222390349 816428651 /nfs/dbraw/zinc/42/86/51/816428651.db2.gz NYJRPLCLAZTITK-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c(C)s1 ZINC001222390349 816428654 /nfs/dbraw/zinc/42/86/54/816428654.db2.gz NYJRPLCLAZTITK-INIZCTEOSA-N 2 2 278.465 3.473 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222436709 816444829 /nfs/dbraw/zinc/44/48/29/816444829.db2.gz YYCUUVGZAMEEPQ-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC001222436709 816444834 /nfs/dbraw/zinc/44/48/34/816444834.db2.gz YYCUUVGZAMEEPQ-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001242992904 823201619 /nfs/dbraw/zinc/20/16/19/823201619.db2.gz RMWCNWMBJOVRDE-UHFFFAOYSA-N 2 2 263.344 3.259 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]cc1 ZINC001225290713 816997648 /nfs/dbraw/zinc/99/76/48/816997648.db2.gz GQCRTVKIVBEGPH-QAPCUYQASA-N 2 2 282.387 3.371 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]cc1 ZINC001225290713 816997656 /nfs/dbraw/zinc/99/76/56/816997656.db2.gz GQCRTVKIVBEGPH-QAPCUYQASA-N 2 2 282.387 3.371 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Oc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001225296441 817000493 /nfs/dbraw/zinc/00/04/93/817000493.db2.gz VNUJQMSYVINBFF-QXAKKESOSA-N 2 2 294.398 3.371 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Oc4cc[nH+]cc4)[C@@H]3C2)cc1 ZINC001225296441 817000499 /nfs/dbraw/zinc/00/04/99/817000499.db2.gz VNUJQMSYVINBFF-QXAKKESOSA-N 2 2 294.398 3.371 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)n1 ZINC001232083149 818248944 /nfs/dbraw/zinc/24/89/44/818248944.db2.gz SDBBKKCCTSWAPC-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)n1 ZINC001232083149 818248948 /nfs/dbraw/zinc/24/89/48/818248948.db2.gz SDBBKKCCTSWAPC-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1OC ZINC001232502756 818375125 /nfs/dbraw/zinc/37/51/25/818375125.db2.gz ZHPABFCLGRROHL-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1OC ZINC001232502756 818375131 /nfs/dbraw/zinc/37/51/31/818375131.db2.gz ZHPABFCLGRROHL-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1cccc(C)c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232624660 818403421 /nfs/dbraw/zinc/40/34/21/818403421.db2.gz RUIGHBVABJRZQB-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cccc(C)c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232624660 818403427 /nfs/dbraw/zinc/40/34/27/818403427.db2.gz RUIGHBVABJRZQB-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235009106 818978276 /nfs/dbraw/zinc/97/82/76/818978276.db2.gz XJVKZSJYNSZKEQ-UHFFFAOYSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235009106 818978280 /nfs/dbraw/zinc/97/82/80/818978280.db2.gz XJVKZSJYNSZKEQ-UHFFFAOYSA-N 2 2 272.417 3.133 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112207 819007448 /nfs/dbraw/zinc/00/74/48/819007448.db2.gz YPZVCLRWOLVPOH-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112207 819007455 /nfs/dbraw/zinc/00/74/55/819007455.db2.gz YPZVCLRWOLVPOH-HNNXBMFYSA-N 2 2 298.352 3.076 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235123261 819011471 /nfs/dbraw/zinc/01/14/71/819011471.db2.gz ZKMYTVFOBAPXER-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235123261 819011473 /nfs/dbraw/zinc/01/14/73/819011473.db2.gz ZKMYTVFOBAPXER-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c12 ZINC001235128936 819013482 /nfs/dbraw/zinc/01/34/82/819013482.db2.gz KFKUHRIEVXSBBY-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c12 ZINC001235128936 819013487 /nfs/dbraw/zinc/01/34/87/819013487.db2.gz KFKUHRIEVXSBBY-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235145061 819015475 /nfs/dbraw/zinc/01/54/75/819015475.db2.gz BENQIGDBFOUFIX-WMZOPIPTSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235145061 819015478 /nfs/dbraw/zinc/01/54/78/819015478.db2.gz BENQIGDBFOUFIX-WMZOPIPTSA-N 2 2 282.362 3.026 20 0 CGADLP Cc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc(F)c1F ZINC001235189361 819029505 /nfs/dbraw/zinc/02/95/05/819029505.db2.gz JACLGASETHVPMU-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc(F)c1F ZINC001235189361 819029512 /nfs/dbraw/zinc/02/95/12/819029512.db2.gz JACLGASETHVPMU-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP c1ccc(Cc2ccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264231 819058335 /nfs/dbraw/zinc/05/83/35/819058335.db2.gz WYRKQISWZYWQLK-PMACEKPBSA-N 2 2 292.426 3.071 20 0 CGADLP c1ccc(Cc2ccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)cc2)cc1 ZINC001235264231 819058339 /nfs/dbraw/zinc/05/83/39/819058339.db2.gz WYRKQISWZYWQLK-PMACEKPBSA-N 2 2 292.426 3.071 20 0 CGADLP Clc1ccc2[nH]c(C[N@@H+]3CCCC4(C[NH2+]C4)C3)cc2c1 ZINC001235711176 819148774 /nfs/dbraw/zinc/14/87/74/819148774.db2.gz LDJCPZOUNVSNNT-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1ccc2[nH]c(C[N@H+]3CCCC4(C[NH2+]C4)C3)cc2c1 ZINC001235711176 819148777 /nfs/dbraw/zinc/14/87/77/819148777.db2.gz LDJCPZOUNVSNNT-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235724848 819153704 /nfs/dbraw/zinc/15/37/04/819153704.db2.gz KACZNHBNEKQTDA-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235724848 819153706 /nfs/dbraw/zinc/15/37/06/819153706.db2.gz KACZNHBNEKQTDA-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235727474 819155474 /nfs/dbraw/zinc/15/54/74/819155474.db2.gz SJIHNLVKCQLVFX-IAGOWNOFSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001235727474 819155479 /nfs/dbraw/zinc/15/54/79/819155479.db2.gz SJIHNLVKCQLVFX-IAGOWNOFSA-N 2 2 298.405 3.185 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(C)c1F)C1CC[NH2+]CC1 ZINC001235765276 819163469 /nfs/dbraw/zinc/16/34/69/819163469.db2.gz WNIIQAXLFKDBKZ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(C)c1F)C1CC[NH2+]CC1 ZINC001235765276 819163472 /nfs/dbraw/zinc/16/34/72/819163472.db2.gz WNIIQAXLFKDBKZ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@@H]([NH3+])CC[C@@H]3C)ccc2c1 ZINC001235891978 819200157 /nfs/dbraw/zinc/20/01/57/819200157.db2.gz JDELVZZCAORFEX-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@@H]([NH3+])CC[C@@H]3C)ccc2c1 ZINC001235891978 819200162 /nfs/dbraw/zinc/20/01/62/819200162.db2.gz JDELVZZCAORFEX-GUYCJALGSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891250 819200435 /nfs/dbraw/zinc/20/04/35/819200435.db2.gz HKXHANZSNWJJON-HOTGVXAUSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891250 819200438 /nfs/dbraw/zinc/20/04/38/819200438.db2.gz HKXHANZSNWJJON-HOTGVXAUSA-N 2 2 290.451 3.402 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)s1 ZINC001235902882 819211731 /nfs/dbraw/zinc/21/17/31/819211731.db2.gz GWJYWPQTHOLIOV-NEPJUHHUSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)s1 ZINC001235902882 819211735 /nfs/dbraw/zinc/21/17/35/819211735.db2.gz GWJYWPQTHOLIOV-NEPJUHHUSA-N 2 2 252.427 3.012 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907655 819217393 /nfs/dbraw/zinc/21/73/93/819217393.db2.gz RWHUNWBXVRAJDA-KBXCAEBGSA-N 2 2 297.446 3.217 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907655 819217399 /nfs/dbraw/zinc/21/73/99/819217399.db2.gz RWHUNWBXVRAJDA-KBXCAEBGSA-N 2 2 297.446 3.217 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907741 819217707 /nfs/dbraw/zinc/21/77/07/819217707.db2.gz SUPMNBIDPQTGOU-OCCSQVGLSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235907741 819217710 /nfs/dbraw/zinc/21/77/10/819217710.db2.gz SUPMNBIDPQTGOU-OCCSQVGLSA-N 2 2 287.382 3.132 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001235947314 819235837 /nfs/dbraw/zinc/23/58/37/819235837.db2.gz JTYQMCDJVXSABQ-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001235947314 819235844 /nfs/dbraw/zinc/23/58/44/819235844.db2.gz JTYQMCDJVXSABQ-UHFFFAOYSA-N 2 2 264.413 3.033 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236006716 819270969 /nfs/dbraw/zinc/27/09/69/819270969.db2.gz JGIYARDFMDJDEH-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236006716 819270974 /nfs/dbraw/zinc/27/09/74/819270974.db2.gz JGIYARDFMDJDEH-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@H+](Cc1ccc(OCC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236009430 819273507 /nfs/dbraw/zinc/27/35/07/819273507.db2.gz YUZWDFKUPURIQX-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CC[N@@H+](Cc1ccc(OCC(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236009430 819273509 /nfs/dbraw/zinc/27/35/09/819273509.db2.gz YUZWDFKUPURIQX-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CC[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236010883 819273925 /nfs/dbraw/zinc/27/39/25/819273925.db2.gz TVNSNFGLUWRSGM-OAHLLOKOSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236010883 819273930 /nfs/dbraw/zinc/27/39/30/819273930.db2.gz TVNSNFGLUWRSGM-OAHLLOKOSA-N 2 2 274.433 3.475 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)s1 ZINC001236045264 819282165 /nfs/dbraw/zinc/28/21/65/819282165.db2.gz BNIYSNHRTADAJF-STQMWFEESA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)s1 ZINC001236045264 819282170 /nfs/dbraw/zinc/28/21/70/819282170.db2.gz BNIYSNHRTADAJF-STQMWFEESA-N 2 2 266.454 3.260 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)o1 ZINC001236047178 819285671 /nfs/dbraw/zinc/28/56/71/819285671.db2.gz LDODFLRLNHMMJL-SUMWQHHRSA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]([NH3+])C[C@H](C)C3)cc2)o1 ZINC001236047178 819285677 /nfs/dbraw/zinc/28/56/77/819285677.db2.gz LDODFLRLNHMMJL-SUMWQHHRSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053018 819289332 /nfs/dbraw/zinc/28/93/32/819289332.db2.gz XFMRDQDMDAXZHD-OXQOHEQNSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053018 819289338 /nfs/dbraw/zinc/28/93/38/819289338.db2.gz XFMRDQDMDAXZHD-OXQOHEQNSA-N 2 2 294.442 3.447 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc(C)c1OC(C)C ZINC001236100495 819317245 /nfs/dbraw/zinc/31/72/45/819317245.db2.gz KBZWCRPNJCUYPE-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc(C)c1OC(C)C ZINC001236100495 819317249 /nfs/dbraw/zinc/31/72/49/819317249.db2.gz KBZWCRPNJCUYPE-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236168215 819353194 /nfs/dbraw/zinc/35/31/94/819353194.db2.gz GQOITVMWEMMXAX-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001236168215 819353199 /nfs/dbraw/zinc/35/31/99/819353199.db2.gz GQOITVMWEMMXAX-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208538 819369749 /nfs/dbraw/zinc/36/97/49/819369749.db2.gz SCYYKKGUNSSNTO-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208538 819369751 /nfs/dbraw/zinc/36/97/51/819369751.db2.gz SCYYKKGUNSSNTO-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213612 819375500 /nfs/dbraw/zinc/37/55/00/819375500.db2.gz CHMUVLUAHZYCGO-JKSUJKDBSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213612 819375507 /nfs/dbraw/zinc/37/55/07/819375507.db2.gz CHMUVLUAHZYCGO-JKSUJKDBSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c(C)c1 ZINC001236215610 819379086 /nfs/dbraw/zinc/37/90/86/819379086.db2.gz DZHDXSMTIOBMBN-KRWDZBQOSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c(C)c1 ZINC001236215610 819379096 /nfs/dbraw/zinc/37/90/96/819379096.db2.gz DZHDXSMTIOBMBN-KRWDZBQOSA-N 2 2 272.436 3.328 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217301 819381812 /nfs/dbraw/zinc/38/18/12/819381812.db2.gz OZCOEGQFGPBPOO-JKSUJKDBSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217301 819381816 /nfs/dbraw/zinc/38/18/16/819381816.db2.gz OZCOEGQFGPBPOO-JKSUJKDBSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236236742 819396477 /nfs/dbraw/zinc/39/64/77/819396477.db2.gz MKEQDBIDSWQFRH-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236236742 819396484 /nfs/dbraw/zinc/39/64/84/819396484.db2.gz MKEQDBIDSWQFRH-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP COc1c(C)cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236238271 819398604 /nfs/dbraw/zinc/39/86/04/819398604.db2.gz BGAAYMFZRRAITG-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP COc1c(C)cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236238271 819398612 /nfs/dbraw/zinc/39/86/12/819398612.db2.gz BGAAYMFZRRAITG-KRWDZBQOSA-N 2 2 288.435 3.028 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001236246808 819404290 /nfs/dbraw/zinc/40/42/90/819404290.db2.gz JVCYOWHKFYXMGJ-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001236246808 819404294 /nfs/dbraw/zinc/40/42/94/819404294.db2.gz JVCYOWHKFYXMGJ-MRXNPFEDSA-N 2 2 272.417 3.338 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236351678 819431032 /nfs/dbraw/zinc/43/10/32/819431032.db2.gz CFONJOSOICFLME-UHFFFAOYSA-N 2 2 289.382 3.400 20 0 CGADLP Cc1cn2c(cccc2-c2cccc(C[NH+](C)C)c2)[nH+]1 ZINC001236419245 819465846 /nfs/dbraw/zinc/46/58/46/819465846.db2.gz MUXCNIGFJDZIGX-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(C)c1F ZINC001236468371 819489810 /nfs/dbraw/zinc/48/98/10/819489810.db2.gz KZAAPTCYSFMTOW-MRXNPFEDSA-N 2 2 278.415 3.405 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc(C)c1F ZINC001236468371 819489816 /nfs/dbraw/zinc/48/98/16/819489816.db2.gz KZAAPTCYSFMTOW-MRXNPFEDSA-N 2 2 278.415 3.405 20 0 CGADLP CC(C)[N@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236530916 819522722 /nfs/dbraw/zinc/52/27/22/819522722.db2.gz SSGJGLRXPMGVPM-AWEZNQCLSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC001236530916 819522728 /nfs/dbraw/zinc/52/27/28/819522728.db2.gz SSGJGLRXPMGVPM-AWEZNQCLSA-N 2 2 274.433 3.474 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1)C2 ZINC001236648933 819560477 /nfs/dbraw/zinc/56/04/77/819560477.db2.gz UKYVYJBRONFYGX-HXUWFJFHSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1)C2 ZINC001236648933 819560481 /nfs/dbraw/zinc/56/04/81/819560481.db2.gz UKYVYJBRONFYGX-HXUWFJFHSA-N 2 2 298.474 3.398 20 0 CGADLP Nc1[nH+]cccc1-c1ccccc1CO[C@H]1CCCC[C@@H]1[NH3+] ZINC001243476455 823415511 /nfs/dbraw/zinc/41/55/11/823415511.db2.gz DMCFKFZSLGUESN-IRXDYDNUSA-N 2 2 297.402 3.117 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(Cl)c1C ZINC001236883642 819630694 /nfs/dbraw/zinc/63/06/94/819630694.db2.gz HZNMQDZSFQTURV-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866106 819626824 /nfs/dbraw/zinc/62/68/24/819626824.db2.gz SMIFTUNLANFJAY-HNNXBMFYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236866106 819626828 /nfs/dbraw/zinc/62/68/28/819626828.db2.gz SMIFTUNLANFJAY-HNNXBMFYSA-N 2 2 264.413 3.035 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(Cl)c1C ZINC001236883642 819630689 /nfs/dbraw/zinc/63/06/89/819630689.db2.gz HZNMQDZSFQTURV-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001236895684 819633519 /nfs/dbraw/zinc/63/35/19/819633519.db2.gz VSRXNMHNZYYKFL-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001236895684 819633522 /nfs/dbraw/zinc/63/35/22/819633522.db2.gz VSRXNMHNZYYKFL-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP CSCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907234 819637311 /nfs/dbraw/zinc/63/73/11/819637311.db2.gz ASLAGRPXNZIDGH-UHFFFAOYSA-N 2 2 295.839 3.321 20 0 CGADLP CSCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236907234 819637314 /nfs/dbraw/zinc/63/73/14/819637314.db2.gz ASLAGRPXNZIDGH-UHFFFAOYSA-N 2 2 295.839 3.321 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1F ZINC001237145348 819678215 /nfs/dbraw/zinc/67/82/15/819678215.db2.gz NESCFFRBFWPRGH-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1F ZINC001237145348 819678220 /nfs/dbraw/zinc/67/82/20/819678220.db2.gz NESCFFRBFWPRGH-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)s1 ZINC001237203255 819697895 /nfs/dbraw/zinc/69/78/95/819697895.db2.gz CCQYYVJXUQSGLW-NEPJUHHUSA-N 2 2 252.427 3.012 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)s1 ZINC001237203255 819697898 /nfs/dbraw/zinc/69/78/98/819697898.db2.gz CCQYYVJXUQSGLW-NEPJUHHUSA-N 2 2 252.427 3.012 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C)c1Cl ZINC001238095559 819930899 /nfs/dbraw/zinc/93/08/99/819930899.db2.gz IXTDTYWHJVQKBD-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1Cl ZINC001238095559 819930900 /nfs/dbraw/zinc/93/09/00/819930900.db2.gz IXTDTYWHJVQKBD-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1Cl ZINC001238095559 819930903 /nfs/dbraw/zinc/93/09/03/819930903.db2.gz IXTDTYWHJVQKBD-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C)c1Cl ZINC001238095559 819930907 /nfs/dbraw/zinc/93/09/07/819930907.db2.gz IXTDTYWHJVQKBD-QGZVFWFLSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1C ZINC001238225610 819964795 /nfs/dbraw/zinc/96/47/95/819964795.db2.gz ZVJKTJLKLFWBFQ-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1C ZINC001238225610 819964797 /nfs/dbraw/zinc/96/47/97/819964797.db2.gz ZVJKTJLKLFWBFQ-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP CCOc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239559837 820412502 /nfs/dbraw/zinc/41/25/02/820412502.db2.gz FOLTVJBCPUCSBW-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239559837 820412511 /nfs/dbraw/zinc/41/25/11/820412511.db2.gz FOLTVJBCPUCSBW-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(C)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239768449 820589694 /nfs/dbraw/zinc/58/96/94/820589694.db2.gz KXWKHQLZRWWMTO-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239768449 820589699 /nfs/dbraw/zinc/58/96/99/820589699.db2.gz KXWKHQLZRWWMTO-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240221574 820898688 /nfs/dbraw/zinc/89/86/88/820898688.db2.gz MXRFBJXGDSRSKD-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240221619 820899601 /nfs/dbraw/zinc/89/96/01/820899601.db2.gz OBKQZCHVNPHYKH-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001241240608 821662421 /nfs/dbraw/zinc/66/24/21/821662421.db2.gz PJCMORSSEYJXPN-UHFFFAOYSA-N 2 2 296.418 3.112 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001241240608 821662424 /nfs/dbraw/zinc/66/24/24/821662424.db2.gz PJCMORSSEYJXPN-UHFFFAOYSA-N 2 2 296.418 3.112 20 0 CGADLP C[NH+](C)Cc1c(F)cc(-c2ccc(C[NH3+])cc2)cc1F ZINC001241915900 822215013 /nfs/dbraw/zinc/21/50/13/822215013.db2.gz CXNKFPRLBILUNA-UHFFFAOYSA-N 2 2 276.330 3.152 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C)o1 ZINC001242406708 822983432 /nfs/dbraw/zinc/98/34/32/822983432.db2.gz FZLWNSFRGYHXQN-INIZCTEOSA-N 2 2 270.376 3.096 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C)o1 ZINC001242406708 822983436 /nfs/dbraw/zinc/98/34/36/822983436.db2.gz FZLWNSFRGYHXQN-INIZCTEOSA-N 2 2 270.376 3.096 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC001307524634 927321142 /nfs/dbraw/zinc/32/11/42/927321142.db2.gz XVUJXAXUJXKSSZ-XJKSGUPXSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC001307524634 927321157 /nfs/dbraw/zinc/32/11/57/927321157.db2.gz XVUJXAXUJXKSSZ-XJKSGUPXSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC001307524634 927321172 /nfs/dbraw/zinc/32/11/72/927321172.db2.gz XVUJXAXUJXKSSZ-XJKSGUPXSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC001307524634 927321185 /nfs/dbraw/zinc/32/11/85/927321185.db2.gz XVUJXAXUJXKSSZ-XJKSGUPXSA-N 2 2 294.389 3.189 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001474626930 937207738 /nfs/dbraw/zinc/20/77/38/937207738.db2.gz WDUYJVKXEOENHZ-USXIJHARSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@H]2C1 ZINC001560623495 937215222 /nfs/dbraw/zinc/21/52/22/937215222.db2.gz YYTSSELRCZUUOR-ITDIGPHOSA-N 2 2 299.245 3.423 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@H]2C1 ZINC001560623495 937215225 /nfs/dbraw/zinc/21/52/25/937215225.db2.gz YYTSSELRCZUUOR-ITDIGPHOSA-N 2 2 299.245 3.423 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001460961465 937556208 /nfs/dbraw/zinc/55/62/08/937556208.db2.gz FPMXOKFLNDJREI-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP CNc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001461104150 937563833 /nfs/dbraw/zinc/56/38/33/937563833.db2.gz CFBCJICSBPUQBO-UHFFFAOYSA-N 2 2 292.386 3.204 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001461179639 937568356 /nfs/dbraw/zinc/56/83/56/937568356.db2.gz MLEATBYSPGMBHU-HZPDHXFCSA-N 2 2 252.446 3.300 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001461179639 937568359 /nfs/dbraw/zinc/56/83/59/937568359.db2.gz MLEATBYSPGMBHU-HZPDHXFCSA-N 2 2 252.446 3.300 20 0 CGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1cc[nH]c1 ZINC001461529651 937584932 /nfs/dbraw/zinc/58/49/32/937584932.db2.gz QBPOXTGSWTWHTA-UHFFFAOYSA-N 2 2 286.766 3.144 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954507 932510027 /nfs/dbraw/zinc/51/00/27/932510027.db2.gz PTUYCBMJCHXSLY-QGZVFWFLSA-N 2 2 285.391 3.124 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954507 932510032 /nfs/dbraw/zinc/51/00/32/932510032.db2.gz PTUYCBMJCHXSLY-QGZVFWFLSA-N 2 2 285.391 3.124 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC000379479798 932738201 /nfs/dbraw/zinc/73/82/01/932738201.db2.gz QQINAZZIKNEHHQ-UHFFFAOYSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462384177 937636609 /nfs/dbraw/zinc/63/66/09/937636609.db2.gz CMMYHLJUILWPSX-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462384177 937636611 /nfs/dbraw/zinc/63/66/11/937636611.db2.gz CMMYHLJUILWPSX-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308190581 933069017 /nfs/dbraw/zinc/06/90/17/933069017.db2.gz GKXATPQNMPDTLO-UHFFFAOYSA-N 2 2 263.410 3.460 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC001462655174 937657336 /nfs/dbraw/zinc/65/73/36/937657336.db2.gz RRITXBJOSYSTCT-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC001462655174 937657337 /nfs/dbraw/zinc/65/73/37/937657337.db2.gz RRITXBJOSYSTCT-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC001308485060 933119014 /nfs/dbraw/zinc/11/90/14/933119014.db2.gz ZJHMKOMAVNKBGS-WBTNSWJXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC001308485060 933119017 /nfs/dbraw/zinc/11/90/17/933119017.db2.gz ZJHMKOMAVNKBGS-WBTNSWJXSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001308548444 933129415 /nfs/dbraw/zinc/12/94/15/933129415.db2.gz SXHAVRFHZOOXRJ-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001308548444 933129418 /nfs/dbraw/zinc/12/94/18/933129418.db2.gz SXHAVRFHZOOXRJ-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001308773423 933173600 /nfs/dbraw/zinc/17/36/00/933173600.db2.gz JSZAYOKKLMLAIL-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001308773423 933173604 /nfs/dbraw/zinc/17/36/04/933173604.db2.gz JSZAYOKKLMLAIL-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CC[NH+]1CCC(CNc2c[nH+]cc3c2CCCC3)CC1 ZINC001308859698 933191236 /nfs/dbraw/zinc/19/12/36/933191236.db2.gz NWXWKJTYBDWWKA-UHFFFAOYSA-N 2 2 273.424 3.104 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001308974780 933218065 /nfs/dbraw/zinc/21/80/65/933218065.db2.gz KXPHBDVMSSZROX-IAGOWNOFSA-N 2 2 272.436 3.112 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001308974780 933218068 /nfs/dbraw/zinc/21/80/68/933218068.db2.gz KXPHBDVMSSZROX-IAGOWNOFSA-N 2 2 272.436 3.112 20 0 CGADLP CCC/C(C)=C/C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318491837 933735358 /nfs/dbraw/zinc/73/53/58/933735358.db2.gz RYFWCSFQDYXRSS-ZRDIBKRKSA-N 2 2 284.363 3.261 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccc(C)cc2)CC1 ZINC001320133763 934005910 /nfs/dbraw/zinc/00/59/10/934005910.db2.gz XNAWYXLVFDYZFI-UHFFFAOYSA-N 2 2 297.446 3.455 20 0 CGADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc2ccccc2[nH]1 ZINC001321576593 934195963 /nfs/dbraw/zinc/19/59/63/934195963.db2.gz CCLRPFYGVBAVGJ-UHFFFAOYSA-N 2 2 285.435 3.476 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc2ccccc2[nH]1 ZINC001321576593 934195968 /nfs/dbraw/zinc/19/59/68/934195968.db2.gz CCLRPFYGVBAVGJ-UHFFFAOYSA-N 2 2 285.435 3.476 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=C(C)CCC1 ZINC001324246695 934475943 /nfs/dbraw/zinc/47/59/43/934475943.db2.gz GBHQIVGYTLPEMC-UHFFFAOYSA-N 2 2 282.347 3.015 20 0 CGADLP COCC1([NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001473674872 937816866 /nfs/dbraw/zinc/81/68/66/937816866.db2.gz PPWFAIVMDYXMRB-MRXNPFEDSA-N 2 2 282.472 3.188 20 0 CGADLP COCC1([NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CCCCC1 ZINC001473674872 937816868 /nfs/dbraw/zinc/81/68/68/937816868.db2.gz PPWFAIVMDYXMRB-MRXNPFEDSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001473725657 937819095 /nfs/dbraw/zinc/81/90/95/937819095.db2.gz SZQQTLPRJPQJCH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001473725657 937819098 /nfs/dbraw/zinc/81/90/98/937819098.db2.gz SZQQTLPRJPQJCH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725657 937819100 /nfs/dbraw/zinc/81/91/00/937819100.db2.gz SZQQTLPRJPQJCH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725657 937819102 /nfs/dbraw/zinc/81/91/02/937819102.db2.gz SZQQTLPRJPQJCH-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530198 935293252 /nfs/dbraw/zinc/29/32/52/935293252.db2.gz WEWYUQSARCYTSH-DNVCBOLYSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530198 935293256 /nfs/dbraw/zinc/29/32/56/935293256.db2.gz WEWYUQSARCYTSH-DNVCBOLYSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530198 935293262 /nfs/dbraw/zinc/29/32/62/935293262.db2.gz WEWYUQSARCYTSH-DNVCBOLYSA-N 2 2 299.462 3.272 20 0 CGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CC2)c1 ZINC001330530198 935293266 /nfs/dbraw/zinc/29/32/66/935293266.db2.gz WEWYUQSARCYTSH-DNVCBOLYSA-N 2 2 299.462 3.272 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001473894940 937828141 /nfs/dbraw/zinc/82/81/41/937828141.db2.gz VSEKUHZRKDPRCW-QGZVFWFLSA-N 2 2 299.393 3.426 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001474231377 937845097 /nfs/dbraw/zinc/84/50/97/937845097.db2.gz XKHZKZSZFYKCBK-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001474231377 937845098 /nfs/dbraw/zinc/84/50/98/937845098.db2.gz XKHZKZSZFYKCBK-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658977 937873199 /nfs/dbraw/zinc/87/31/99/937873199.db2.gz YRSGVTJNOXDBAR-GOSISDBHSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658977 937873201 /nfs/dbraw/zinc/87/32/01/937873201.db2.gz YRSGVTJNOXDBAR-GOSISDBHSA-N 2 2 272.436 3.144 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc(F)cc1F ZINC001474740428 937877850 /nfs/dbraw/zinc/87/78/50/937877850.db2.gz NQKGLVHBVRPSPK-HNNXBMFYSA-N 2 2 284.394 3.073 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474745565 937878319 /nfs/dbraw/zinc/87/83/19/937878319.db2.gz SCJHZKPPCPYGAY-CABCVRRESA-N 2 2 252.446 3.134 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474745565 937878320 /nfs/dbraw/zinc/87/83/20/937878320.db2.gz SCJHZKPPCPYGAY-CABCVRRESA-N 2 2 252.446 3.134 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001550711040 938170436 /nfs/dbraw/zinc/17/04/36/938170436.db2.gz SJDUVFNMNSXMER-HYVNUMGLSA-N 2 2 299.393 3.295 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC001550711040 938170437 /nfs/dbraw/zinc/17/04/37/938170437.db2.gz SJDUVFNMNSXMER-HYVNUMGLSA-N 2 2 299.393 3.295 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC001551378589 938180707 /nfs/dbraw/zinc/18/07/07/938180707.db2.gz RBXOOSFTULALSA-DOPJRALCSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001551403689 938181779 /nfs/dbraw/zinc/18/17/79/938181779.db2.gz UXCCIGYSEHTCBQ-DSLXNQLJSA-N 2 2 278.399 3.004 20 0 CGADLP Cc1cccn2c(CNc3ccc([C@H]4C[C@H]4[NH3+])cc3)c[nH+]c12 ZINC001553857626 938200924 /nfs/dbraw/zinc/20/09/24/938200924.db2.gz CJJXLRLUFMQUME-IAGOWNOFSA-N 2 2 292.386 3.069 20 0 CGADLP CCC1(C[NH2+]CCCCNc2cccc[nH+]2)CCOCC1 ZINC001560311304 938252558 /nfs/dbraw/zinc/25/25/58/938252558.db2.gz OTCZIASNGVFHHP-UHFFFAOYSA-N 2 2 291.439 3.070 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC001560531155 938261887 /nfs/dbraw/zinc/26/18/87/938261887.db2.gz VUNKOPSGYZIUPS-BIENSFFJSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC001560531155 938261888 /nfs/dbraw/zinc/26/18/88/938261888.db2.gz VUNKOPSGYZIUPS-BIENSFFJSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC001560531156 938261924 /nfs/dbraw/zinc/26/19/24/938261924.db2.gz VUNKOPSGYZIUPS-GMNBZTITSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC001560531156 938261925 /nfs/dbraw/zinc/26/19/25/938261925.db2.gz VUNKOPSGYZIUPS-GMNBZTITSA-N 2 2 276.399 3.301 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC001560549789 938262654 /nfs/dbraw/zinc/26/26/54/938262654.db2.gz RKTQCMRWLJRJPQ-YEODSOHDSA-N 2 2 272.436 3.309 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC001560549789 938262656 /nfs/dbraw/zinc/26/26/56/938262656.db2.gz RKTQCMRWLJRJPQ-YEODSOHDSA-N 2 2 272.436 3.309 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576302172 962451513 /nfs/dbraw/zinc/45/15/13/962451513.db2.gz SFELRGRCGGPGKO-YGRLFVJLSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001576302172 962451523 /nfs/dbraw/zinc/45/15/23/962451523.db2.gz SFELRGRCGGPGKO-YGRLFVJLSA-N 2 2 270.779 3.211 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC001578163989 962574011 /nfs/dbraw/zinc/57/40/11/962574011.db2.gz ZEPBAVVOADFJIX-ZDUSSCGKSA-N 2 2 284.831 3.202 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001580019375 962687727 /nfs/dbraw/zinc/68/77/27/962687727.db2.gz WUHUFAYNUYYZBO-CYBMUJFWSA-N 2 2 278.362 3.327 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001580019375 962687741 /nfs/dbraw/zinc/68/77/41/962687741.db2.gz WUHUFAYNUYYZBO-CYBMUJFWSA-N 2 2 278.362 3.327 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC001580131940 962700443 /nfs/dbraw/zinc/70/04/43/962700443.db2.gz JSRQTXBQBQRIKO-QGZVFWFLSA-N 2 2 277.371 3.024 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396763 214052908 /nfs/dbraw/zinc/05/29/08/214052908.db2.gz PUHHURZGIAIPLE-GJZGRUSLSA-N 2 2 275.440 3.445 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396763 214052909 /nfs/dbraw/zinc/05/29/09/214052909.db2.gz PUHHURZGIAIPLE-GJZGRUSLSA-N 2 2 275.440 3.445 20 0 CGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396756 214053492 /nfs/dbraw/zinc/05/34/92/214053492.db2.gz PUHHURZGIAIPLE-CABCVRRESA-N 2 2 275.440 3.445 20 0 CGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337396756 214053494 /nfs/dbraw/zinc/05/34/94/214053494.db2.gz PUHHURZGIAIPLE-CABCVRRESA-N 2 2 275.440 3.445 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)s1 ZINC000621340133 349500680 /nfs/dbraw/zinc/50/06/80/349500680.db2.gz XUCPXURNPBCZEW-CHWSQXEVSA-N 2 2 278.465 3.415 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)s1 ZINC000621340133 349500686 /nfs/dbraw/zinc/50/06/86/349500686.db2.gz XUCPXURNPBCZEW-CHWSQXEVSA-N 2 2 278.465 3.415 20 0 CGADLP COc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC000337518790 214134453 /nfs/dbraw/zinc/13/44/53/214134453.db2.gz SCULTLNBUQTLNJ-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc12 ZINC000337518790 214134456 /nfs/dbraw/zinc/13/44/56/214134456.db2.gz SCULTLNBUQTLNJ-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124729787 187150769 /nfs/dbraw/zinc/15/07/69/187150769.db2.gz LLDVRGHJRGMRDW-IPYPFGDCSA-N 2 2 255.365 3.179 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)s1 ZINC000621721497 349566004 /nfs/dbraw/zinc/56/60/04/349566004.db2.gz QRJFXZNYMFWEJG-CZUORRHYSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)s1 ZINC000621721497 349566006 /nfs/dbraw/zinc/56/60/06/349566006.db2.gz QRJFXZNYMFWEJG-CZUORRHYSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)s1 ZINC000621721497 349566008 /nfs/dbraw/zinc/56/60/08/349566008.db2.gz QRJFXZNYMFWEJG-CZUORRHYSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000621721497 349566009 /nfs/dbraw/zinc/56/60/09/349566009.db2.gz QRJFXZNYMFWEJG-CZUORRHYSA-N 2 2 278.465 3.227 20 0 CGADLP C[C@H]1CCCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651675909 398267567 /nfs/dbraw/zinc/26/75/67/398267567.db2.gz IGHCWCHGZNOWEE-GOEBONIOSA-N 2 2 275.440 3.320 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782070 349585686 /nfs/dbraw/zinc/58/56/86/349585686.db2.gz MEFRIYXIHDGGOY-WMLDXEAASA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782070 349585688 /nfs/dbraw/zinc/58/56/88/349585688.db2.gz MEFRIYXIHDGGOY-WMLDXEAASA-N 2 2 299.443 3.123 20 0 CGADLP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949403 398311270 /nfs/dbraw/zinc/31/12/70/398311270.db2.gz KJCPQRZNTRCNCP-HNNXBMFYSA-N 2 2 292.398 3.112 20 0 CGADLP c1cn(-c2csc(C[NH2+]C3CC4(CCC4)C3)c2)c[nH+]1 ZINC000652042284 398319784 /nfs/dbraw/zinc/31/97/84/398319784.db2.gz WASXLGMLFLFMDH-UHFFFAOYSA-N 2 2 273.405 3.356 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229372 529501202 /nfs/dbraw/zinc/50/12/02/529501202.db2.gz BAKRCNGOFIZOMH-OLZOCXBDSA-N 2 2 272.392 3.398 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000423481072 529568416 /nfs/dbraw/zinc/56/84/16/529568416.db2.gz WOGKKYCCTPIFHN-SKDRFNHKSA-N 2 2 258.768 3.257 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423484139 529568428 /nfs/dbraw/zinc/56/84/28/529568428.db2.gz YIQMRYQXTWPLNN-WCBMZHEXSA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423484665 529569153 /nfs/dbraw/zinc/56/91/53/529569153.db2.gz YSTPWXUASQELGP-MSOLQXFVSA-N 2 2 268.404 3.411 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000423237255 529611325 /nfs/dbraw/zinc/61/13/25/529611325.db2.gz HYVLBRUWULNLLF-SJORKVTESA-N 2 2 254.377 3.427 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCCC1 ZINC000423494527 529612056 /nfs/dbraw/zinc/61/20/56/529612056.db2.gz ASIQCLIPJGFNSQ-GUYCJALGSA-N 2 2 260.425 3.417 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423330878 529619258 /nfs/dbraw/zinc/61/92/58/529619258.db2.gz UICOWUPRJCTVNC-STQMWFEESA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000423568559 529655882 /nfs/dbraw/zinc/65/58/82/529655882.db2.gz VORVMCQXWMIVSR-DOMZBBRYSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000423402722 529670613 /nfs/dbraw/zinc/67/06/13/529670613.db2.gz RTQYSGLSFOKEBE-ONERCXAPSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000368002801 529672743 /nfs/dbraw/zinc/67/27/43/529672743.db2.gz YJHDJFSLTFABHG-FZMZJTMJSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1F ZINC000368002801 529672745 /nfs/dbraw/zinc/67/27/45/529672745.db2.gz YJHDJFSLTFABHG-FZMZJTMJSA-N 2 2 291.345 3.286 20 0 CGADLP Cc1nc(C)c(C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000351220097 219085933 /nfs/dbraw/zinc/08/59/33/219085933.db2.gz DCZSBUDLOSDJTJ-UHFFFAOYSA-N 2 2 275.421 3.186 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000427872566 529722048 /nfs/dbraw/zinc/72/20/48/529722048.db2.gz XYELQMLGUHPULS-NWDGAFQWSA-N 2 2 275.421 3.173 20 0 CGADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000295007599 199297307 /nfs/dbraw/zinc/29/73/07/199297307.db2.gz ZEKWDRDRKXHRNQ-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000295007599 199297308 /nfs/dbraw/zinc/29/73/08/199297308.db2.gz ZEKWDRDRKXHRNQ-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1F ZINC000295007599 199297310 /nfs/dbraw/zinc/29/73/10/199297310.db2.gz ZEKWDRDRKXHRNQ-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1F ZINC000295007599 199297311 /nfs/dbraw/zinc/29/73/11/199297311.db2.gz ZEKWDRDRKXHRNQ-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP c1cn(C2CC[NH+](CCC3CCCCC3)CC2)c[nH+]1 ZINC000351471711 219099587 /nfs/dbraw/zinc/09/95/87/219099587.db2.gz LBCPRKYGOUACQG-UHFFFAOYSA-N 2 2 261.413 3.490 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)n1C ZINC000425330421 529807475 /nfs/dbraw/zinc/80/74/75/529807475.db2.gz APPXSEWURFQKBZ-QGZVFWFLSA-N 2 2 298.434 3.213 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)n1C ZINC000425330421 529807477 /nfs/dbraw/zinc/80/74/77/529807477.db2.gz APPXSEWURFQKBZ-QGZVFWFLSA-N 2 2 298.434 3.213 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](c2ccccc2)C2CCC2)n1C ZINC000414321826 529810572 /nfs/dbraw/zinc/81/05/72/529810572.db2.gz FRJDXKMMVYYOQN-QGZVFWFLSA-N 2 2 298.434 3.117 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(F)c1 ZINC000623657656 349859674 /nfs/dbraw/zinc/85/96/74/349859674.db2.gz WARRAXPVDNLSPO-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(F)c1 ZINC000623657656 349859675 /nfs/dbraw/zinc/85/96/75/349859675.db2.gz WARRAXPVDNLSPO-ZDUSSCGKSA-N 2 2 282.378 3.095 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623696659 349867930 /nfs/dbraw/zinc/86/79/30/349867930.db2.gz LPPVUHRTJNURIG-UHFFFAOYSA-N 2 2 281.350 3.495 20 0 CGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@H]2C[C@H]2C1 ZINC000623741062 349875070 /nfs/dbraw/zinc/87/50/70/349875070.db2.gz JDFIBIIAHOFYKL-MNZLEMJZSA-N 2 2 299.462 3.072 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000423225139 529978880 /nfs/dbraw/zinc/97/88/80/529978880.db2.gz LIXQJUHWCCSCAJ-LLVKDONJSA-N 2 2 278.396 3.424 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436293443 530057924 /nfs/dbraw/zinc/05/79/24/530057924.db2.gz VFDSDPKNKCGXDQ-BRWVUGGUSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436293443 530057925 /nfs/dbraw/zinc/05/79/25/530057925.db2.gz VFDSDPKNKCGXDQ-BRWVUGGUSA-N 2 2 258.409 3.007 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000034472758 344939717 /nfs/dbraw/zinc/93/97/17/344939717.db2.gz JQYJGTWBTCVOPV-UHFFFAOYSA-N 2 2 272.417 3.181 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000034472758 344939721 /nfs/dbraw/zinc/93/97/21/344939721.db2.gz JQYJGTWBTCVOPV-UHFFFAOYSA-N 2 2 272.417 3.181 20 0 CGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037118794 344947615 /nfs/dbraw/zinc/94/76/15/344947615.db2.gz BIGASBBDRODJFS-CQSZACIVSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045106228 345020690 /nfs/dbraw/zinc/02/06/90/345020690.db2.gz BNXOFWDXUDOIGF-HNNXBMFYSA-N 2 2 257.381 3.323 20 0 CGADLP Fc1ccc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000045105946 345021168 /nfs/dbraw/zinc/02/11/68/345021168.db2.gz TZDVJIXJQCAZCF-UHFFFAOYSA-N 2 2 287.382 3.338 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000053201280 345116555 /nfs/dbraw/zinc/11/65/55/345116555.db2.gz XLIGPWMGZSNOIB-CVEARBPZSA-N 2 2 260.425 3.357 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000053201280 345116559 /nfs/dbraw/zinc/11/65/59/345116559.db2.gz XLIGPWMGZSNOIB-CVEARBPZSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000063105790 345243549 /nfs/dbraw/zinc/24/35/49/345243549.db2.gz QOUOIQXJIGICPK-AWEZNQCLSA-N 2 2 281.403 3.439 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000063105790 345243551 /nfs/dbraw/zinc/24/35/51/345243551.db2.gz QOUOIQXJIGICPK-AWEZNQCLSA-N 2 2 281.403 3.439 20 0 CGADLP CSCCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084044810 232178009 /nfs/dbraw/zinc/17/80/09/232178009.db2.gz CQLKYWIIROWCOU-UHFFFAOYSA-N 2 2 289.448 3.414 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000075758101 345521540 /nfs/dbraw/zinc/52/15/40/345521540.db2.gz NESVZZFOCXOAIF-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP CCc1cc(NCCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000091424629 345812950 /nfs/dbraw/zinc/81/29/50/345812950.db2.gz OMSJLJHNUCZECK-UHFFFAOYSA-N 2 2 280.375 3.496 20 0 CGADLP C[C@@H](CCNc1cc[nH+]c(C2CC2)n1)[NH+]1CCCCC1 ZINC000273261859 192091896 /nfs/dbraw/zinc/09/18/96/192091896.db2.gz ZHANKXOGBRKMJD-ZDUSSCGKSA-N 2 2 274.412 3.030 20 0 CGADLP CCc1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563633 345882913 /nfs/dbraw/zinc/88/29/13/345882913.db2.gz QWVGEYFSFGOHJL-CQSZACIVSA-N 2 2 293.480 3.156 20 0 CGADLP CCc1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563633 345882916 /nfs/dbraw/zinc/88/29/16/345882916.db2.gz QWVGEYFSFGOHJL-CQSZACIVSA-N 2 2 293.480 3.156 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770663 345886315 /nfs/dbraw/zinc/88/63/15/345886315.db2.gz ZGKGRMIFGDTAJN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770663 345886319 /nfs/dbraw/zinc/88/63/19/345886319.db2.gz ZGKGRMIFGDTAJN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770663 345886324 /nfs/dbraw/zinc/88/63/24/345886324.db2.gz ZGKGRMIFGDTAJN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093770663 345886331 /nfs/dbraw/zinc/88/63/31/345886331.db2.gz ZGKGRMIFGDTAJN-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(C)ccc1C ZINC000623998070 349940960 /nfs/dbraw/zinc/94/09/60/349940960.db2.gz FYIXLWDHEDNXOI-KRWDZBQOSA-N 2 2 271.408 3.320 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)n1 ZINC000624007519 349943992 /nfs/dbraw/zinc/94/39/92/349943992.db2.gz XXNPKUGHRCEHNH-CYBMUJFWSA-N 2 2 269.458 3.080 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n1 ZINC000624007519 349943995 /nfs/dbraw/zinc/94/39/95/349943995.db2.gz XXNPKUGHRCEHNH-CYBMUJFWSA-N 2 2 269.458 3.080 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC000235385905 346335053 /nfs/dbraw/zinc/33/50/53/346335053.db2.gz KNJKOCOFHBRRSW-GOEBONIOSA-N 2 2 261.413 3.245 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC000235665791 346336996 /nfs/dbraw/zinc/33/69/96/346336996.db2.gz KNJKOCOFHBRRSW-ZBFHGGJFSA-N 2 2 261.413 3.245 20 0 CGADLP C[C@@H](C[NH2+]C1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000236717763 346342681 /nfs/dbraw/zinc/34/26/81/346342681.db2.gz OZKXQPCREXGNKK-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000394534628 346576795 /nfs/dbraw/zinc/57/67/95/346576795.db2.gz NDNZLBNBAVXDBQ-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000394534628 346576797 /nfs/dbraw/zinc/57/67/97/346576797.db2.gz NDNZLBNBAVXDBQ-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400469831 346589648 /nfs/dbraw/zinc/58/96/48/346589648.db2.gz XHSQHXCGNCFXOQ-SQWLQELKSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2c(C)oc3ccccc32)n1C ZINC000584791643 346715052 /nfs/dbraw/zinc/71/50/52/346715052.db2.gz JXIZDEBVYNCCIK-UHFFFAOYSA-N 2 2 269.348 3.073 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000582594996 346678236 /nfs/dbraw/zinc/67/82/36/346678236.db2.gz FWCVZBOIRVNXNC-AWEZNQCLSA-N 2 2 264.800 3.011 20 0 CGADLP c1cc2[nH+]ccc(N3CCC([NH+]4CCCCC4)CC3)c2cn1 ZINC000277185780 136637398 /nfs/dbraw/zinc/63/73/98/136637398.db2.gz WCJJTRRBEBNIJD-UHFFFAOYSA-N 2 2 296.418 3.085 20 0 CGADLP CSCC1(CC[NH2+]Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000594963517 347243124 /nfs/dbraw/zinc/24/31/24/347243124.db2.gz PJAJOSDYHFZUIY-UHFFFAOYSA-N 2 2 289.448 3.266 20 0 CGADLP C[N@H+](CCSCc1ccc[nH+]c1N)Cc1ccccc1 ZINC000603331133 348072052 /nfs/dbraw/zinc/07/20/52/348072052.db2.gz SAYRSSAUERBQDP-UHFFFAOYSA-N 2 2 287.432 3.029 20 0 CGADLP C[N@@H+](CCSCc1ccc[nH+]c1N)Cc1ccccc1 ZINC000603331133 348072055 /nfs/dbraw/zinc/07/20/55/348072055.db2.gz SAYRSSAUERBQDP-UHFFFAOYSA-N 2 2 287.432 3.029 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCc1ccc(C)cc1 ZINC000605572264 348162970 /nfs/dbraw/zinc/16/29/70/348162970.db2.gz YUNLOCGYNGBBCA-UHFFFAOYSA-N 2 2 293.414 3.485 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC000608561985 348318227 /nfs/dbraw/zinc/31/82/27/348318227.db2.gz DPSOKKIXAWACBU-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC000608561985 348318230 /nfs/dbraw/zinc/31/82/30/348318230.db2.gz DPSOKKIXAWACBU-MRXNPFEDSA-N 2 2 261.413 3.490 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)F)n1-c1ccccc1 ZINC000339484323 215199632 /nfs/dbraw/zinc/19/96/32/215199632.db2.gz KRJVVZAXCCCQQW-LBPRGKRZSA-N 2 2 261.344 3.018 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624188556 349996270 /nfs/dbraw/zinc/99/62/70/349996270.db2.gz VTCMGDZBMMDWRM-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624188556 349996272 /nfs/dbraw/zinc/99/62/72/349996272.db2.gz VTCMGDZBMMDWRM-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH+](C)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000613417221 348599448 /nfs/dbraw/zinc/59/94/48/348599448.db2.gz GAOSUEISEOOYNT-UHFFFAOYSA-N 2 2 298.430 3.245 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272631 350016051 /nfs/dbraw/zinc/01/60/51/350016051.db2.gz MXHBXHVEGYZNGH-DGCLKSJQSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272631 350016057 /nfs/dbraw/zinc/01/60/57/350016057.db2.gz MXHBXHVEGYZNGH-DGCLKSJQSA-N 2 2 290.373 3.181 20 0 CGADLP CCCOc1cccc2c(NC[C@@H](C)[NH+](C)C)cc[nH+]c12 ZINC000352068481 219307912 /nfs/dbraw/zinc/30/79/12/219307912.db2.gz HUBSNRHJEBPYAS-CYBMUJFWSA-N 2 2 287.407 3.386 20 0 CGADLP CCCOc1cccc2c(NC[C@H](C)[NH+](C)C)cc[nH+]c12 ZINC000352068482 219308120 /nfs/dbraw/zinc/30/81/20/219308120.db2.gz HUBSNRHJEBPYAS-ZDUSSCGKSA-N 2 2 287.407 3.386 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000625438906 350171742 /nfs/dbraw/zinc/17/17/42/350171742.db2.gz VTBBUYUKMPMGKQ-WDNDVIMCSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000625438906 350171744 /nfs/dbraw/zinc/17/17/44/350171744.db2.gz VTBBUYUKMPMGKQ-WDNDVIMCSA-N 2 2 261.413 3.230 20 0 CGADLP C(C[NH+]1CCC([NH+]2CCOCC2)CC1)C1CCCCCC1 ZINC000625544637 350182926 /nfs/dbraw/zinc/18/29/26/350182926.db2.gz UBVRDZPMXMGLHY-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000628220911 350447456 /nfs/dbraw/zinc/44/74/56/350447456.db2.gz NXMUHPBBNQYYNZ-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000628210241 350441180 /nfs/dbraw/zinc/44/11/80/350441180.db2.gz NAPLZTXZSGAKQK-SECBINFHSA-N 2 2 280.359 3.197 20 0 CGADLP c1cc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2[nH]1 ZINC000628254357 350467900 /nfs/dbraw/zinc/46/79/00/350467900.db2.gz YTVXSESCIATUAG-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP c1cc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2[nH]1 ZINC000628254357 350467903 /nfs/dbraw/zinc/46/79/03/350467903.db2.gz YTVXSESCIATUAG-QGZVFWFLSA-N 2 2 293.370 3.216 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000629526261 350702018 /nfs/dbraw/zinc/70/20/18/350702018.db2.gz OJPIWCYNDZXWBP-RRFJBIMHSA-N 2 2 294.826 3.284 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1csc(Cl)c1 ZINC000629527549 350703214 /nfs/dbraw/zinc/70/32/14/350703214.db2.gz YJROKHMQZMAQPH-DVVUODLYSA-N 2 2 258.818 3.193 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C[NH2+]1 ZINC000629535636 350705179 /nfs/dbraw/zinc/70/51/79/350705179.db2.gz DNZKAEQSMBDGHW-HFAKWTLXSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000629537617 350706009 /nfs/dbraw/zinc/70/60/09/350706009.db2.gz LMSXBQVPLJQNEF-CKYFFXLPSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000629539273 350706807 /nfs/dbraw/zinc/70/68/07/350706807.db2.gz NPWHSDTZVYUIRB-SCVCMEIPSA-N 2 2 270.779 3.270 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000629552989 350712016 /nfs/dbraw/zinc/71/20/16/350712016.db2.gz CSVCNBSEPLKLQR-PBHICJAKSA-N 2 2 254.377 3.242 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629557932 350712713 /nfs/dbraw/zinc/71/27/13/350712713.db2.gz KIMFUWYFJVUXSJ-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629557932 350712715 /nfs/dbraw/zinc/71/27/15/350712715.db2.gz KIMFUWYFJVUXSJ-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000629390064 350687745 /nfs/dbraw/zinc/68/77/45/350687745.db2.gz IBRGFMZVMWBNAK-ZWKOTPCHSA-N 2 2 288.435 3.238 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c2ccccc12 ZINC000629396364 350688462 /nfs/dbraw/zinc/68/84/62/350688462.db2.gz LEBCEEHZAUCPBH-DZGCQCFKSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C[NH2+]1 ZINC000629416765 350690809 /nfs/dbraw/zinc/69/08/09/350690809.db2.gz VLAZUIJZLAZYNU-WCQYABFASA-N 2 2 289.810 3.118 20 0 CGADLP c1[nH]c(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000112342837 186487038 /nfs/dbraw/zinc/48/70/38/186487038.db2.gz DFRXIHDPRHRQTJ-HOTGVXAUSA-N 2 2 255.365 3.226 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)n2c1 ZINC000631256413 351009205 /nfs/dbraw/zinc/00/92/05/351009205.db2.gz UPMRGAUBFFNWNT-SJLPKXTDSA-N 2 2 299.418 3.080 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000631644536 351103535 /nfs/dbraw/zinc/10/35/35/351103535.db2.gz GMHDQRABNLCBEM-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000631644536 351103541 /nfs/dbraw/zinc/10/35/41/351103541.db2.gz GMHDQRABNLCBEM-RHSMWYFYSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000631571540 351070555 /nfs/dbraw/zinc/07/05/55/351070555.db2.gz FYQZOIAHHWNGKX-HOCLYGCPSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000631571540 351070558 /nfs/dbraw/zinc/07/05/58/351070558.db2.gz FYQZOIAHHWNGKX-HOCLYGCPSA-N 2 2 285.435 3.173 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CCC2 ZINC000631622189 351093394 /nfs/dbraw/zinc/09/33/94/351093394.db2.gz NLMJVKMWQULRSE-CRAIPNDOSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000631622189 351093396 /nfs/dbraw/zinc/09/33/96/351093396.db2.gz NLMJVKMWQULRSE-CRAIPNDOSA-N 2 2 285.435 3.066 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823675 351148860 /nfs/dbraw/zinc/14/88/60/351148860.db2.gz KWQLXTPTPPJYFX-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823675 351148862 /nfs/dbraw/zinc/14/88/62/351148862.db2.gz KWQLXTPTPPJYFX-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433755 191135295 /nfs/dbraw/zinc/13/52/95/191135295.db2.gz CFYQWPIKHCMEQE-QWQRMKEZSA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433755 191135297 /nfs/dbraw/zinc/13/52/97/191135297.db2.gz CFYQWPIKHCMEQE-QWQRMKEZSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cccn2cc(CNc3cccc(C[NH+](C)C)c3)[nH+]c12 ZINC000634574825 351521516 /nfs/dbraw/zinc/52/15/16/351521516.db2.gz YGXFHIGETAYULT-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP Cc1ccc(CNc2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC000634573779 351521639 /nfs/dbraw/zinc/52/16/39/351521639.db2.gz GSFYWHCQQVOLFM-UHFFFAOYSA-N 2 2 269.392 3.372 20 0 CGADLP Cc1ccc(CN2CC[C@H](C[NH3+])c3ccccc32)c(C)[nH+]1 ZINC000634690452 351574803 /nfs/dbraw/zinc/57/48/03/351574803.db2.gz LQIIAEKHDNVMKK-OAHLLOKOSA-N 2 2 281.403 3.151 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)c2ccccc21 ZINC000635009255 351627669 /nfs/dbraw/zinc/62/76/69/351627669.db2.gz MTAJNUYKVKEMRO-CABCVRRESA-N 2 2 274.314 3.199 20 0 CGADLP Cn1c[nH+]c2cc(N[C@H]3CCc4ccc[nH+]c4CC3)ccc21 ZINC000421842637 282783954 /nfs/dbraw/zinc/78/39/54/282783954.db2.gz OFCQJTUDGSRTKK-AWEZNQCLSA-N 2 2 292.386 3.328 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122993796 187064558 /nfs/dbraw/zinc/06/45/58/187064558.db2.gz LZXOXWWJMVTJAA-XUJVJEKNSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122993796 187064559 /nfs/dbraw/zinc/06/45/59/187064559.db2.gz LZXOXWWJMVTJAA-XUJVJEKNSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000124047885 187119886 /nfs/dbraw/zinc/11/98/86/187119886.db2.gz WVOZQLGCTAYCME-CABCVRRESA-N 2 2 284.407 3.183 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000271617455 191242855 /nfs/dbraw/zinc/24/28/55/191242855.db2.gz XYDXJCHTBKMTED-HNNXBMFYSA-N 2 2 284.407 3.328 20 0 CGADLP Fc1ccc(C[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367716641 234245220 /nfs/dbraw/zinc/24/52/20/234245220.db2.gz APHLEZJLWLQXTH-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1ccc(C[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367716641 234245223 /nfs/dbraw/zinc/24/52/23/234245223.db2.gz APHLEZJLWLQXTH-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP c1coc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000367717698 234246099 /nfs/dbraw/zinc/24/60/99/234246099.db2.gz DFVXRNNTNMOBBG-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000367717698 234246100 /nfs/dbraw/zinc/24/61/00/234246100.db2.gz DFVXRNNTNMOBBG-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000367717698 234246103 /nfs/dbraw/zinc/24/61/03/234246103.db2.gz DFVXRNNTNMOBBG-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP c1coc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000367717698 234246105 /nfs/dbraw/zinc/24/61/05/234246105.db2.gz DFVXRNNTNMOBBG-IBGZPJMESA-N 2 2 296.414 3.378 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)c1ccccc1 ZINC000368102209 234282554 /nfs/dbraw/zinc/28/25/54/234282554.db2.gz NEFQCXGYTWWIDD-DZGCQCFKSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000368102209 234282557 /nfs/dbraw/zinc/28/25/57/234282557.db2.gz NEFQCXGYTWWIDD-DZGCQCFKSA-N 2 2 283.419 3.223 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154561863 188151033 /nfs/dbraw/zinc/15/10/33/188151033.db2.gz ZGQVMIYZWMWKLM-NWDGAFQWSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000154561863 188151034 /nfs/dbraw/zinc/15/10/34/188151034.db2.gz ZGQVMIYZWMWKLM-NWDGAFQWSA-N 2 2 284.350 3.033 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccco1)C(C)C ZINC000155833276 188230497 /nfs/dbraw/zinc/23/04/97/188230497.db2.gz GNRQWTXXXOLBEO-CQSZACIVSA-N 2 2 252.402 3.439 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000155717977 188223334 /nfs/dbraw/zinc/22/33/34/188223334.db2.gz OUSHGAUCJXVEOQ-CYBMUJFWSA-N 2 2 295.333 3.225 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340301649 295864199 /nfs/dbraw/zinc/86/41/99/295864199.db2.gz NQKNYLQPOGODOM-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390019 283014039 /nfs/dbraw/zinc/01/40/39/283014039.db2.gz XUNPYVNTJKOKFM-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390019 283014041 /nfs/dbraw/zinc/01/40/41/283014041.db2.gz XUNPYVNTJKOKFM-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000189268682 542253050 /nfs/dbraw/zinc/25/30/50/542253050.db2.gz QGCUHNJJNFTJKX-MRXNPFEDSA-N 2 2 288.435 3.110 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000189268682 542253053 /nfs/dbraw/zinc/25/30/53/542253053.db2.gz QGCUHNJJNFTJKX-MRXNPFEDSA-N 2 2 288.435 3.110 20 0 CGADLP c1cn(CC[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000411974472 235098722 /nfs/dbraw/zinc/09/87/22/235098722.db2.gz ADGXZLPSBYRCRA-QGZVFWFLSA-N 2 2 281.403 3.153 20 0 CGADLP c1cn(CC[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000411974472 235098724 /nfs/dbraw/zinc/09/87/24/235098724.db2.gz ADGXZLPSBYRCRA-QGZVFWFLSA-N 2 2 281.403 3.153 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414139089 235345955 /nfs/dbraw/zinc/34/59/55/235345955.db2.gz HGYASTNWEZQFLV-HIFRSBDPSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337827 235391096 /nfs/dbraw/zinc/39/10/96/235391096.db2.gz LCLVFAKBPGYLHW-VDHUWJSZSA-N 2 2 296.414 3.246 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337827 235391099 /nfs/dbraw/zinc/39/10/99/235391099.db2.gz LCLVFAKBPGYLHW-VDHUWJSZSA-N 2 2 296.414 3.246 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414291135 235380587 /nfs/dbraw/zinc/38/05/87/235380587.db2.gz XLTZKCNGUOUISK-WBTNSWJXSA-N 2 2 299.418 3.336 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[NH+](C)C ZINC000462790496 535312836 /nfs/dbraw/zinc/31/28/36/535312836.db2.gz NNWRHLXDEVPLQP-BRSBDYLESA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)c1nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000123670758 138369509 /nfs/dbraw/zinc/36/95/09/138369509.db2.gz GJRIRNXXMOGHTO-CYBMUJFWSA-N 2 2 269.458 3.072 20 0 CGADLP CC(C)c1nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000123670758 138369511 /nfs/dbraw/zinc/36/95/11/138369511.db2.gz GJRIRNXXMOGHTO-CYBMUJFWSA-N 2 2 269.458 3.072 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000125078089 138379703 /nfs/dbraw/zinc/37/97/03/138379703.db2.gz PXWVBDULOWCCNB-UHFFFAOYSA-N 2 2 284.806 3.445 20 0 CGADLP C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129593347 138397763 /nfs/dbraw/zinc/39/77/63/138397763.db2.gz GVQPXYHPCGNBFK-OLZOCXBDSA-N 2 2 289.345 3.499 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129593347 138397764 /nfs/dbraw/zinc/39/77/64/138397764.db2.gz GVQPXYHPCGNBFK-OLZOCXBDSA-N 2 2 289.345 3.499 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183023128 138432905 /nfs/dbraw/zinc/43/29/05/138432905.db2.gz CDINYTUDVCBMOY-LSDHHAIUSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1F ZINC000423231268 236003152 /nfs/dbraw/zinc/00/31/52/236003152.db2.gz APQLFJVEHOYTPO-XHDPSFHLSA-N 2 2 276.330 3.315 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423232634 236004681 /nfs/dbraw/zinc/00/46/81/236004681.db2.gz CFIYXGSOMVUIQT-ROUUACIJSA-N 2 2 284.378 3.493 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423239014 236006607 /nfs/dbraw/zinc/00/66/07/236006607.db2.gz RNILPTCOYAAFKP-HKUYNNGSSA-N 2 2 298.405 3.451 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2sccc21)c1ccccc1 ZINC000423252952 236009919 /nfs/dbraw/zinc/00/99/19/236009919.db2.gz YIHRMVAJXMCWRD-LSDHHAIUSA-N 2 2 272.417 3.415 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1F ZINC000423270809 236016822 /nfs/dbraw/zinc/01/68/22/236016822.db2.gz WYHFCNROMVAHRD-LRDDRELGSA-N 2 2 264.388 3.384 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423314761 236035663 /nfs/dbraw/zinc/03/56/63/236035663.db2.gz HRCSKDHVTNQNDU-SUMWQHHRSA-N 2 2 297.402 3.262 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423315068 236036193 /nfs/dbraw/zinc/03/61/93/236036193.db2.gz IHQYIBSQUQEMMR-SWLSCSKDSA-N 2 2 270.376 3.335 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H](C)C[NH3+])cs2)cs1 ZINC000423320817 236037983 /nfs/dbraw/zinc/03/79/83/236037983.db2.gz GSTQGZBHSOJLDU-BDAKNGLRSA-N 2 2 281.450 3.178 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423382452 236058016 /nfs/dbraw/zinc/05/80/16/236058016.db2.gz IPLBTDGUAIIJKI-DOTOQJQBSA-N 2 2 288.435 3.050 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2ccccc2)nc1 ZINC000423359138 236048860 /nfs/dbraw/zinc/04/88/60/236048860.db2.gz KJSNYTNGKSVSFP-AEFFLSMTSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000423368088 236052501 /nfs/dbraw/zinc/05/25/01/236052501.db2.gz NBHDXQCCXOLXDW-BQBZGAKWSA-N 2 2 265.159 3.130 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)c(Cl)cc1Cl ZINC000423438606 236071366 /nfs/dbraw/zinc/07/13/66/236071366.db2.gz RLDGSQQJKJCZCW-HEXRFXHZSA-N 2 2 289.181 3.001 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1csc(Cl)c1 ZINC000423543812 236096485 /nfs/dbraw/zinc/09/64/85/236096485.db2.gz CEMKVFVUEBJSKI-GXSJLCMTSA-N 2 2 258.818 3.194 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)oc21 ZINC000423551751 236098462 /nfs/dbraw/zinc/09/84/62/236098462.db2.gz JLZHVQGNWYKPKU-TZMCWYRMSA-N 2 2 288.391 3.234 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423558470 236099112 /nfs/dbraw/zinc/09/91/12/236099112.db2.gz NRSSMBBTXXONQD-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)nc1 ZINC000424168315 236127717 /nfs/dbraw/zinc/12/77/17/236127717.db2.gz GAEJMLAXJUVHEB-LPHOPBHVSA-N 2 2 299.462 3.072 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000424378778 236159267 /nfs/dbraw/zinc/15/92/67/236159267.db2.gz NRPWHTXPBUGLMW-HZPDHXFCSA-N 2 2 288.366 3.445 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000427872729 236351352 /nfs/dbraw/zinc/35/13/52/236351352.db2.gz DOQKGHHMRYGFJE-DYVFJYSZSA-N 2 2 281.403 3.037 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433302881 236798642 /nfs/dbraw/zinc/79/86/42/236798642.db2.gz YWAJNDHEXQWYKX-AWEZNQCLSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436236219 237050986 /nfs/dbraw/zinc/05/09/86/237050986.db2.gz DZDFHFNMKAHYDO-NJAFHUGGSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436236219 237050991 /nfs/dbraw/zinc/05/09/91/237050991.db2.gz DZDFHFNMKAHYDO-NJAFHUGGSA-N 2 2 286.463 3.470 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000436408604 237098119 /nfs/dbraw/zinc/09/81/19/237098119.db2.gz JCBBCWNUIPWYNY-BZSNNMDCSA-N 2 2 295.430 3.199 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423279276 283454345 /nfs/dbraw/zinc/45/43/45/283454345.db2.gz RBWGENHZATUYFP-CHWSQXEVSA-N 2 2 285.218 3.308 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000297303162 200141109 /nfs/dbraw/zinc/14/11/09/200141109.db2.gz BLFLVDSOWAQKHQ-UHFFFAOYSA-N 2 2 275.371 3.014 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000297303162 200141111 /nfs/dbraw/zinc/14/11/11/200141111.db2.gz BLFLVDSOWAQKHQ-UHFFFAOYSA-N 2 2 275.371 3.014 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000297640731 200250365 /nfs/dbraw/zinc/25/03/65/200250365.db2.gz IJDFMKASCICFDG-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000297640731 200250366 /nfs/dbraw/zinc/25/03/66/200250366.db2.gz IJDFMKASCICFDG-UHFFFAOYSA-N 2 2 277.799 3.138 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023720 189022007 /nfs/dbraw/zinc/02/20/07/189022007.db2.gz RKLGYRJQQMZGHR-ZBFHGGJFSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023720 189022008 /nfs/dbraw/zinc/02/20/08/189022008.db2.gz RKLGYRJQQMZGHR-ZBFHGGJFSA-N 2 2 284.407 3.278 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000177911030 189079033 /nfs/dbraw/zinc/07/90/33/189079033.db2.gz HYYZBHGXWODOMT-BXUZGUMPSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000177911030 189079034 /nfs/dbraw/zinc/07/90/34/189079034.db2.gz HYYZBHGXWODOMT-BXUZGUMPSA-N 2 2 290.436 3.040 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177956162 189081682 /nfs/dbraw/zinc/08/16/82/189081682.db2.gz WEOJDFMUDJNDOY-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177956162 189081683 /nfs/dbraw/zinc/08/16/83/189081683.db2.gz WEOJDFMUDJNDOY-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000178200199 189097182 /nfs/dbraw/zinc/09/71/82/189097182.db2.gz QLGLLTZAPLNRPZ-LSDHHAIUSA-N 2 2 299.418 3.338 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837695 240368029 /nfs/dbraw/zinc/36/80/29/240368029.db2.gz BJVKORKLHQVAPQ-GDBMZVCRSA-N 2 2 274.408 3.291 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837695 240368034 /nfs/dbraw/zinc/36/80/34/240368034.db2.gz BJVKORKLHQVAPQ-GDBMZVCRSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837695 240368037 /nfs/dbraw/zinc/36/80/37/240368037.db2.gz BJVKORKLHQVAPQ-GDBMZVCRSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837695 240368043 /nfs/dbraw/zinc/36/80/43/240368043.db2.gz BJVKORKLHQVAPQ-GDBMZVCRSA-N 2 2 274.408 3.291 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000180483284 189257882 /nfs/dbraw/zinc/25/78/82/189257882.db2.gz ITRXDMBNPDMTKI-GJZGRUSLSA-N 2 2 287.432 3.194 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCS[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000180483284 189257883 /nfs/dbraw/zinc/25/78/83/189257883.db2.gz ITRXDMBNPDMTKI-GJZGRUSLSA-N 2 2 287.432 3.194 20 0 CGADLP Cc1cccn2c(C[NH2+]C3CC(C(F)(F)F)C3)c[nH+]c12 ZINC000342314508 216307475 /nfs/dbraw/zinc/30/74/75/216307475.db2.gz XVUCRFIPAZGTQY-UHFFFAOYSA-N 2 2 283.297 3.073 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1F ZINC000182002723 189311949 /nfs/dbraw/zinc/31/19/49/189311949.db2.gz ZTBLQNOKDBVVAP-RYUDHWBXSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1F ZINC000182002723 189311950 /nfs/dbraw/zinc/31/19/50/189311950.db2.gz ZTBLQNOKDBVVAP-RYUDHWBXSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119588187 370688523 /nfs/dbraw/zinc/68/85/23/370688523.db2.gz CMSOPKLHZPIMCP-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)C(C)(C)C[NH+](C)C)c1Cl ZINC000342346900 216318827 /nfs/dbraw/zinc/31/88/27/216318827.db2.gz JHIBVFZJIKLXCZ-LLVKDONJSA-N 2 2 269.820 3.432 20 0 CGADLP c1cn(CCC[NH2+][C@@H](c2ccccc2)C2CCC2)c[nH+]1 ZINC000182892071 189338527 /nfs/dbraw/zinc/33/85/27/189338527.db2.gz PGCZOODDKGVOKM-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183178562 189349246 /nfs/dbraw/zinc/34/92/46/189349246.db2.gz WRICSHLAIFWRBV-SFHVURJKSA-N 2 2 283.419 3.327 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183178562 189349247 /nfs/dbraw/zinc/34/92/47/189349247.db2.gz WRICSHLAIFWRBV-SFHVURJKSA-N 2 2 283.419 3.327 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1F ZINC000183170925 189349430 /nfs/dbraw/zinc/34/94/30/189349430.db2.gz XAMHWDDOGIGITJ-UHFFFAOYSA-N 2 2 279.334 3.074 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1F ZINC000183170925 189349431 /nfs/dbraw/zinc/34/94/31/189349431.db2.gz XAMHWDDOGIGITJ-UHFFFAOYSA-N 2 2 279.334 3.074 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1[nH]c2ccccc2[nH+]1 ZINC000301875878 201243290 /nfs/dbraw/zinc/24/32/90/201243290.db2.gz KFXFUCFORKNZKP-UHFFFAOYSA-N 2 2 269.352 3.028 20 0 CGADLP c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n(C2CCCC2)n1 ZINC000449035915 239133341 /nfs/dbraw/zinc/13/33/41/239133341.db2.gz QLCXGVYXZNPVFA-UHFFFAOYSA-N 2 2 299.422 3.101 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449071855 239159779 /nfs/dbraw/zinc/15/97/79/239159779.db2.gz CCYIGVJUBBLFSU-KGLIPLIRSA-N 2 2 283.375 3.239 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103659 239181396 /nfs/dbraw/zinc/18/13/96/239181396.db2.gz RLGDQVPJEQXBPS-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103659 239181403 /nfs/dbraw/zinc/18/14/03/239181403.db2.gz RLGDQVPJEQXBPS-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000449250778 239269575 /nfs/dbraw/zinc/26/95/75/239269575.db2.gz PUVOXMAUEMGJLT-IIDMSEBBSA-N 2 2 286.419 3.492 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000449235663 239261627 /nfs/dbraw/zinc/26/16/27/239261627.db2.gz VHXCWSPDICRXPA-KEYYUXOJSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000449235663 239261631 /nfs/dbraw/zinc/26/16/31/239261631.db2.gz VHXCWSPDICRXPA-KEYYUXOJSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)C[N@@H+]1C1CC1 ZINC000449359175 239347732 /nfs/dbraw/zinc/34/77/32/239347732.db2.gz GKDMOZWCFSFKCT-RDBSUJKOSA-N 2 2 288.460 3.091 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)C[N@H+]1C1CC1 ZINC000449359175 239347736 /nfs/dbraw/zinc/34/77/36/239347736.db2.gz GKDMOZWCFSFKCT-RDBSUJKOSA-N 2 2 288.460 3.091 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000119884379 370719017 /nfs/dbraw/zinc/71/90/17/370719017.db2.gz GXVZVDJQHWKBLX-SOLBZPMBSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000119884379 370719024 /nfs/dbraw/zinc/71/90/24/370719024.db2.gz GXVZVDJQHWKBLX-SOLBZPMBSA-N 2 2 290.451 3.227 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119971954 370727637 /nfs/dbraw/zinc/72/76/37/370727637.db2.gz GMDMECKVZUNVGK-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119971954 370727640 /nfs/dbraw/zinc/72/76/40/370727640.db2.gz GMDMECKVZUNVGK-BBWFWOEESA-N 2 2 290.451 3.145 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423284559 299349266 /nfs/dbraw/zinc/34/92/66/299349266.db2.gz WWSCKMCYUKKVKA-UFBFGSQYSA-N 2 2 273.207 3.381 20 0 CGADLP C[C@H]1Cc2[nH+]cn(CCC[NH+]3CCCCC3)c2C[C@@H]1C ZINC000451343654 240277844 /nfs/dbraw/zinc/27/78/44/240277844.db2.gz PQGCCANUFOTUBT-GJZGRUSLSA-N 2 2 275.440 3.130 20 0 CGADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000451509812 240315510 /nfs/dbraw/zinc/31/55/10/240315510.db2.gz ZKNSBMXRYXPDID-RRQGHBQHSA-N 2 2 299.418 3.021 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)c1 ZINC000459658934 242167431 /nfs/dbraw/zinc/16/74/31/242167431.db2.gz JOOOFKNZSJLLEL-HKUYNNGSSA-N 2 2 297.446 3.354 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000462819986 242366784 /nfs/dbraw/zinc/36/67/84/242366784.db2.gz MBPMNWZXJOZSKE-DZGCQCFKSA-N 2 2 292.854 3.406 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000462819986 242366788 /nfs/dbraw/zinc/36/67/88/242366788.db2.gz MBPMNWZXJOZSKE-DZGCQCFKSA-N 2 2 292.854 3.406 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2ccc(C)cc21)[NH+]1CCCC1 ZINC000480784889 243166089 /nfs/dbraw/zinc/16/60/89/243166089.db2.gz FGKNTYQMJFVTPN-SJLPKXTDSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000480082322 243137250 /nfs/dbraw/zinc/13/72/50/243137250.db2.gz CZFMCGGYKSCZLU-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000480082322 243137254 /nfs/dbraw/zinc/13/72/54/243137254.db2.gz CZFMCGGYKSCZLU-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCCC1 ZINC000474478062 296127382 /nfs/dbraw/zinc/12/73/82/296127382.db2.gz JPBIYCTWRWYWEI-CRAIPNDOSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000019447838 368752992 /nfs/dbraw/zinc/75/29/92/368752992.db2.gz NYUHUHQLCGCRNH-UHFFFAOYSA-N 2 2 292.471 3.012 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000019447838 368753000 /nfs/dbraw/zinc/75/30/00/368753000.db2.gz NYUHUHQLCGCRNH-UHFFFAOYSA-N 2 2 292.471 3.012 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000035648202 369002933 /nfs/dbraw/zinc/00/29/33/369002933.db2.gz LTSYYFGGNJGWKS-WBVHZDCISA-N 2 2 292.467 3.192 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC000036952808 369041635 /nfs/dbraw/zinc/04/16/35/369041635.db2.gz ZJIYODZEJPFTKZ-HLVVYCRESA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000036952808 369041638 /nfs/dbraw/zinc/04/16/38/369041638.db2.gz ZJIYODZEJPFTKZ-HLVVYCRESA-N 2 2 280.362 3.241 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000037157451 369072589 /nfs/dbraw/zinc/07/25/89/369072589.db2.gz HITBEWCDZFRWRL-HUUCEWRRSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000037157014 369073112 /nfs/dbraw/zinc/07/31/12/369073112.db2.gz RUADLKMPJFXGNZ-KBPBESRZSA-N 2 2 269.392 3.111 20 0 CGADLP CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786375 369113207 /nfs/dbraw/zinc/11/32/07/369113207.db2.gz SERHIVPMYGIWTC-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)s1 ZINC000041203262 369180274 /nfs/dbraw/zinc/18/02/74/369180274.db2.gz OWXOVXQNYZBAJB-GFCCVEGCSA-N 2 2 263.410 3.248 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685377 369267846 /nfs/dbraw/zinc/26/78/46/369267846.db2.gz HNQMKXPORRSCQV-AAEUAGOBSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685377 369267849 /nfs/dbraw/zinc/26/78/49/369267849.db2.gz HNQMKXPORRSCQV-AAEUAGOBSA-N 2 2 296.361 3.175 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)CC1CCCCC1 ZINC000494390673 244285415 /nfs/dbraw/zinc/28/54/15/244285415.db2.gz HBCMAFXOQMNPRL-HOCLYGCPSA-N 2 2 275.440 3.394 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000045663237 369283992 /nfs/dbraw/zinc/28/39/92/369283992.db2.gz MKBQJHSSNQRIRW-GFCCVEGCSA-N 2 2 254.805 3.332 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000494844282 244322837 /nfs/dbraw/zinc/32/28/37/244322837.db2.gz AFOGVKUZWXQGHV-VYDXJSESSA-N 2 2 292.492 3.471 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000070149460 369781772 /nfs/dbraw/zinc/78/17/72/369781772.db2.gz CSAPCCCHNMDDGC-MRXNPFEDSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000070149460 369781776 /nfs/dbraw/zinc/78/17/76/369781776.db2.gz CSAPCCCHNMDDGC-MRXNPFEDSA-N 2 2 285.391 3.045 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604519 370144484 /nfs/dbraw/zinc/14/44/84/370144484.db2.gz JIWQILIQJYGAMJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604519 370144492 /nfs/dbraw/zinc/14/44/92/370144492.db2.gz JIWQILIQJYGAMJ-CYBMUJFWSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644463 370150507 /nfs/dbraw/zinc/15/05/07/370150507.db2.gz IMBRTRBMSINUEG-IXYNUQLISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644463 370150515 /nfs/dbraw/zinc/15/05/15/370150515.db2.gz IMBRTRBMSINUEG-IXYNUQLISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644463 370150520 /nfs/dbraw/zinc/15/05/20/370150520.db2.gz IMBRTRBMSINUEG-IXYNUQLISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644463 370150526 /nfs/dbraw/zinc/15/05/26/370150526.db2.gz IMBRTRBMSINUEG-IXYNUQLISA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644461 370151387 /nfs/dbraw/zinc/15/13/87/370151387.db2.gz IMBRTRBMSINUEG-KQTLUZQSSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644461 370151391 /nfs/dbraw/zinc/15/13/91/370151391.db2.gz IMBRTRBMSINUEG-KQTLUZQSSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644461 370151395 /nfs/dbraw/zinc/15/13/95/370151395.db2.gz IMBRTRBMSINUEG-KQTLUZQSSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644461 370151400 /nfs/dbraw/zinc/15/14/00/370151400.db2.gz IMBRTRBMSINUEG-KQTLUZQSSA-N 2 2 276.424 3.318 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770775 370158178 /nfs/dbraw/zinc/15/81/78/370158178.db2.gz JIIYSAUZLQBYHX-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770775 370158185 /nfs/dbraw/zinc/15/81/85/370158185.db2.gz JIIYSAUZLQBYHX-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770775 370158189 /nfs/dbraw/zinc/15/81/89/370158189.db2.gz JIIYSAUZLQBYHX-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770775 370158196 /nfs/dbraw/zinc/15/81/96/370158196.db2.gz JIIYSAUZLQBYHX-AWEZNQCLSA-N 2 2 295.496 3.115 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928941 370257538 /nfs/dbraw/zinc/25/75/38/370257538.db2.gz TUULBVVSRQULGQ-KGLIPLIRSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1nc(NC2CC[NH+](C(C)(C)C)CC2)cc[nH+]1 ZINC000110250155 370375228 /nfs/dbraw/zinc/37/52/28/370375228.db2.gz WTAPRNSSWIWNFA-UHFFFAOYSA-N 2 2 276.428 3.275 20 0 CGADLP C[C@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243344 370394926 /nfs/dbraw/zinc/39/49/26/370394926.db2.gz LGNWDFLVRYKJTG-CQSZACIVSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2(C)CC2)[NH+](C)C)cc1 ZINC000118985847 370633674 /nfs/dbraw/zinc/63/36/74/370633674.db2.gz PSFHVKCZJWNCCB-GDBMZVCRSA-N 2 2 260.425 3.376 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCc4ccsc4C3)cc2)c[nH+]1 ZINC000132650472 371190732 /nfs/dbraw/zinc/19/07/32/371190732.db2.gz MRNGWGZZMZRFMX-UHFFFAOYSA-N 2 2 295.411 3.492 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCOC4(CCCC4)C3)c[nH+]c12 ZINC000136704055 371481511 /nfs/dbraw/zinc/48/15/11/371481511.db2.gz ACJGMUZCOZIWPD-HNNXBMFYSA-N 2 2 299.418 3.224 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000137922536 371502364 /nfs/dbraw/zinc/50/23/64/371502364.db2.gz JFGYOQRGTJDJSX-UHFFFAOYSA-N 2 2 271.408 3.229 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151068494 371563966 /nfs/dbraw/zinc/56/39/66/371563966.db2.gz AWRHPAIETWGDQK-SOOMZGJCSA-N 2 2 270.420 3.305 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151068494 371563973 /nfs/dbraw/zinc/56/39/73/371563973.db2.gz AWRHPAIETWGDQK-SOOMZGJCSA-N 2 2 270.420 3.305 20 0 CGADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000151113673 371569919 /nfs/dbraw/zinc/56/99/19/371569919.db2.gz JXATVXUORWLGAB-QGZVFWFLSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)C1CCCCC1 ZINC000151130969 371574654 /nfs/dbraw/zinc/57/46/54/371574654.db2.gz HZZJPSCDNKUBMU-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP COC1([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)CCCC1 ZINC000421822972 371645355 /nfs/dbraw/zinc/64/53/55/371645355.db2.gz BWTYTXNJIKGLKO-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP COC1([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000421822972 371645366 /nfs/dbraw/zinc/64/53/66/371645366.db2.gz BWTYTXNJIKGLKO-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP COC1([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCCC1 ZINC000421826376 371650213 /nfs/dbraw/zinc/65/02/13/371650213.db2.gz SASIUIINOFJFKD-HNNXBMFYSA-N 2 2 291.439 3.211 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000421833261 371657494 /nfs/dbraw/zinc/65/74/94/371657494.db2.gz NMUVVVGZMLZYQA-RWMBFGLXSA-N 2 2 281.831 3.258 20 0 CGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1F ZINC000152731072 371720117 /nfs/dbraw/zinc/72/01/17/371720117.db2.gz WRSILOCOBHJALK-ZDUSSCGKSA-N 2 2 287.382 3.252 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)o1 ZINC000152825551 371727394 /nfs/dbraw/zinc/72/73/94/371727394.db2.gz LIVGMXIHVGAUOY-CYBMUJFWSA-N 2 2 273.380 3.014 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000287675914 371692782 /nfs/dbraw/zinc/69/27/82/371692782.db2.gz WAAORVUYSMLADX-LALPHHSUSA-N 2 2 296.455 3.366 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000287675914 371692785 /nfs/dbraw/zinc/69/27/85/371692785.db2.gz WAAORVUYSMLADX-LALPHHSUSA-N 2 2 296.455 3.366 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000289538164 371760109 /nfs/dbraw/zinc/76/01/09/371760109.db2.gz WPNNHUVMPWTLCT-UHFFFAOYSA-N 2 2 293.436 3.177 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000289538164 371760114 /nfs/dbraw/zinc/76/01/14/371760114.db2.gz WPNNHUVMPWTLCT-UHFFFAOYSA-N 2 2 293.436 3.177 20 0 CGADLP CCOc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422738667 371777193 /nfs/dbraw/zinc/77/71/93/371777193.db2.gz JSGLNSWGGWBDEV-YJBOKZPZSA-N 2 2 298.430 3.133 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)no1 ZINC000289671272 371787958 /nfs/dbraw/zinc/78/79/58/371787958.db2.gz JDPPSDLCKWHPNZ-LBPRGKRZSA-N 2 2 284.363 3.143 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000337340261 214016752 /nfs/dbraw/zinc/01/67/52/214016752.db2.gz PGRBJOJFAWXLLB-RDJZCZTQSA-N 2 2 278.440 3.001 20 0 CGADLP COC[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000153856955 371794174 /nfs/dbraw/zinc/79/41/74/371794174.db2.gz UVGQXUMEOHUPKK-HZPDHXFCSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422799821 371818030 /nfs/dbraw/zinc/81/80/30/371818030.db2.gz YQIRQQJLBWCEBJ-JTQLQIEISA-N 2 2 295.308 3.364 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813751 371826581 /nfs/dbraw/zinc/82/65/81/371826581.db2.gz ZSZLAADMYIYURC-SUNKGSAMSA-N 2 2 284.350 3.079 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000154526542 371852931 /nfs/dbraw/zinc/85/29/31/371852931.db2.gz DHZUPVMDWNKKQW-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000154526542 371852936 /nfs/dbraw/zinc/85/29/36/371852936.db2.gz DHZUPVMDWNKKQW-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154557591 371855586 /nfs/dbraw/zinc/85/55/86/371855586.db2.gz JKDZBACEZUNWOH-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154557591 371855597 /nfs/dbraw/zinc/85/55/97/371855597.db2.gz JKDZBACEZUNWOH-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422894089 371856920 /nfs/dbraw/zinc/85/69/20/371856920.db2.gz BNRHOEUVLNKDQY-PBHICJAKSA-N 2 2 276.424 3.096 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154581461 371857673 /nfs/dbraw/zinc/85/76/73/371857673.db2.gz PUXDMRLWXQZRPG-DLBZAZTESA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154581461 371857679 /nfs/dbraw/zinc/85/76/79/371857679.db2.gz PUXDMRLWXQZRPG-DLBZAZTESA-N 2 2 278.415 3.077 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422896145 371859939 /nfs/dbraw/zinc/85/99/39/371859939.db2.gz XNZCYJFIBPRSKU-HUUCEWRRSA-N 2 2 285.391 3.091 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917212 371867790 /nfs/dbraw/zinc/86/77/90/371867790.db2.gz FNZDPOBWNLXIRW-ONERCXAPSA-N 2 2 268.351 3.146 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(F)c1 ZINC000422930103 371876181 /nfs/dbraw/zinc/87/61/81/371876181.db2.gz SDWKMYOHOOXWHV-IAGOWNOFSA-N 2 2 286.350 3.069 20 0 CGADLP CCCCC1CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422935824 371879574 /nfs/dbraw/zinc/87/95/74/371879574.db2.gz DWNNWCCUFVCDEI-RDHHWEPZSA-N 2 2 282.472 3.092 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cccs1 ZINC000422935204 371880232 /nfs/dbraw/zinc/88/02/32/371880232.db2.gz DJBPTRSQZQFFHA-KKUMJFAQSA-N 2 2 296.480 3.192 20 0 CGADLP COc1ccc(C2([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422943624 371883005 /nfs/dbraw/zinc/88/30/05/371883005.db2.gz YOHFWFRSIDGBGN-MSOLQXFVSA-N 2 2 294.398 3.419 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000422944279 371883225 /nfs/dbraw/zinc/88/32/25/371883225.db2.gz LGJZKQQDPKOMQB-HUUCEWRRSA-N 2 2 298.377 3.298 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC000290312216 371960340 /nfs/dbraw/zinc/96/03/40/371960340.db2.gz CGIFHVYHKSTFGC-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC000290312216 371960347 /nfs/dbraw/zinc/96/03/47/371960347.db2.gz CGIFHVYHKSTFGC-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000423100530 371964019 /nfs/dbraw/zinc/96/40/19/371964019.db2.gz MXUMIYVVAJIRSY-LLVKDONJSA-N 2 2 280.824 3.315 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423111615 371972702 /nfs/dbraw/zinc/97/27/02/371972702.db2.gz QSIKDKFQSNRKPM-XJKSGUPXSA-N 2 2 278.465 3.170 20 0 CGADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423115534 371974159 /nfs/dbraw/zinc/97/41/59/371974159.db2.gz YETFXNSBKLEVKO-GWCFXTLKSA-N 2 2 288.769 3.149 20 0 CGADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423115535 371975284 /nfs/dbraw/zinc/97/52/84/371975284.db2.gz YETFXNSBKLEVKO-GXFFZTMASA-N 2 2 288.769 3.149 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccco2)cc1 ZINC000423171336 372002608 /nfs/dbraw/zinc/00/26/08/372002608.db2.gz ZVFNEVZJCNHSKO-IGCXYCKISA-N 2 2 288.391 3.093 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000290434574 371988766 /nfs/dbraw/zinc/98/87/66/371988766.db2.gz RWRMMKUMZDPURX-QGZVFWFLSA-N 3 2 291.483 3.279 20 0 CGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000423152318 371994618 /nfs/dbraw/zinc/99/46/18/371994618.db2.gz FNTDXUQDWUGQIO-QGTPRVQTSA-N 2 2 298.434 3.047 20 0 CGADLP CC(C)CSCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155932107 371952629 /nfs/dbraw/zinc/95/26/29/371952629.db2.gz RCGSKLNXOBUHTM-MRXNPFEDSA-N 2 2 294.464 3.314 20 0 CGADLP CC(C)CSCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155932107 371952639 /nfs/dbraw/zinc/95/26/39/371952639.db2.gz RCGSKLNXOBUHTM-MRXNPFEDSA-N 2 2 294.464 3.314 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000290494133 372001069 /nfs/dbraw/zinc/00/10/69/372001069.db2.gz WDRNGDMRNCHOOR-MRXNPFEDSA-N 2 2 274.408 3.014 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423089579 371956421 /nfs/dbraw/zinc/95/64/21/371956421.db2.gz VMWDDWRZRGYWTC-UONOGXRCSA-N 2 2 288.769 3.368 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccoc1 ZINC000423194837 372019175 /nfs/dbraw/zinc/01/91/75/372019175.db2.gz RUCONBITJYHRRZ-CABCVRRESA-N 2 2 250.386 3.099 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423197249 372020823 /nfs/dbraw/zinc/02/08/23/372020823.db2.gz YPPXCCJPOASJDN-UONOGXRCSA-N 2 2 297.240 3.242 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423197250 372021444 /nfs/dbraw/zinc/02/14/44/372021444.db2.gz YPPXCCJPOASJDN-ZIAGYGMSSA-N 2 2 297.240 3.242 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423204080 372029199 /nfs/dbraw/zinc/02/91/99/372029199.db2.gz UHNUKOGGIZQLOA-SFHVURJKSA-N 2 2 295.386 3.116 20 0 CGADLP C[C@H](C[NH2+][C@H](CC1CCC1)c1ccccc1)[NH+](C)C ZINC000344161116 217080185 /nfs/dbraw/zinc/08/01/85/217080185.db2.gz GAPZYIQWJPAQRX-RHSMWYFYSA-N 2 2 260.425 3.458 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261096 372043803 /nfs/dbraw/zinc/04/38/03/372043803.db2.gz IZNBWBKQDDDGSL-CJNGLKHVSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423283367 372048339 /nfs/dbraw/zinc/04/83/39/372048339.db2.gz VVKKLLJACQPBCE-IMTBSYHQSA-N 2 2 279.236 3.443 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)o1 ZINC000423182480 372011290 /nfs/dbraw/zinc/01/12/90/372011290.db2.gz DYMUWFFEBQFMJM-AWEZNQCLSA-N 2 2 287.407 3.068 20 0 CGADLP CO[C@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000291065428 372107388 /nfs/dbraw/zinc/10/73/88/372107388.db2.gz AOBVPFNKAXAYFX-KBXCAEBGSA-N 2 2 299.418 3.338 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423461651 372066193 /nfs/dbraw/zinc/06/61/93/372066193.db2.gz JZZFNKRGVKJSJA-IQJOONFLSA-N 2 2 256.440 3.000 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(Cl)c1Cl ZINC000291003841 372093514 /nfs/dbraw/zinc/09/35/14/372093514.db2.gz BEDYFGKUHOOADY-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(Cl)c1Cl ZINC000291003841 372093517 /nfs/dbraw/zinc/09/35/17/372093517.db2.gz BEDYFGKUHOOADY-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040671979 541868326 /nfs/dbraw/zinc/86/83/26/541868326.db2.gz WSFVZLCIDPUPTH-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040671979 541868331 /nfs/dbraw/zinc/86/83/31/541868331.db2.gz WSFVZLCIDPUPTH-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040671980 541868103 /nfs/dbraw/zinc/86/81/03/541868103.db2.gz WSFVZLCIDPUPTH-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040671980 541868108 /nfs/dbraw/zinc/86/81/08/541868108.db2.gz WSFVZLCIDPUPTH-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672633 541869342 /nfs/dbraw/zinc/86/93/42/541869342.db2.gz ILLJETHZGOVKSD-PBHICJAKSA-N 2 2 272.436 3.483 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672633 541869346 /nfs/dbraw/zinc/86/93/46/541869346.db2.gz ILLJETHZGOVKSD-PBHICJAKSA-N 2 2 272.436 3.483 20 0 CGADLP Cc1cccc(C)c1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000355061337 227359282 /nfs/dbraw/zinc/35/92/82/227359282.db2.gz JHGGHTALRKWVPM-HNNXBMFYSA-N 2 2 257.381 3.241 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)C[C@H]1OC ZINC000344284781 217132780 /nfs/dbraw/zinc/13/27/80/217132780.db2.gz GKQOCJLBBNMTAV-HZPDHXFCSA-N 2 2 276.424 3.116 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000344351290 217163564 /nfs/dbraw/zinc/16/35/64/217163564.db2.gz OXNASDGRCOVVCG-KZNAEPCWSA-N 2 2 272.436 3.254 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000344351290 217163566 /nfs/dbraw/zinc/16/35/66/217163566.db2.gz OXNASDGRCOVVCG-KZNAEPCWSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](c1ccco1)[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000162846332 372426410 /nfs/dbraw/zinc/42/64/10/372426410.db2.gz CSUAXBKYBKBJMV-KGLIPLIRSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000162846332 372426420 /nfs/dbraw/zinc/42/64/20/372426420.db2.gz CSUAXBKYBKBJMV-KGLIPLIRSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000162846332 372426425 /nfs/dbraw/zinc/42/64/25/372426425.db2.gz CSUAXBKYBKBJMV-KGLIPLIRSA-N 2 2 262.397 3.289 20 0 CGADLP C[C@H](c1ccco1)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000162846332 372426430 /nfs/dbraw/zinc/42/64/30/372426430.db2.gz CSUAXBKYBKBJMV-KGLIPLIRSA-N 2 2 262.397 3.289 20 0 CGADLP Cc1sccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000293685003 372449271 /nfs/dbraw/zinc/44/92/71/372449271.db2.gz AUCCEAWMGLCZNO-UHFFFAOYSA-N 2 2 271.389 3.037 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000163811337 372493313 /nfs/dbraw/zinc/49/33/13/372493313.db2.gz IGHNSGUBPHHBOM-KSSFIOAISA-N 2 2 281.403 3.407 20 0 CGADLP c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cc1C1CCC1 ZINC000294157495 372598662 /nfs/dbraw/zinc/59/86/62/372598662.db2.gz VUWJXSBUIQLTSJ-JKSUJKDBSA-N 2 2 271.408 3.388 20 0 CGADLP c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]cc1C1CCC1 ZINC000294157495 372598667 /nfs/dbraw/zinc/59/86/67/372598667.db2.gz VUWJXSBUIQLTSJ-JKSUJKDBSA-N 2 2 271.408 3.388 20 0 CGADLP c1ccc(CCC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000170695204 372650022 /nfs/dbraw/zinc/65/00/22/372650022.db2.gz YPRPDMTZGVJHBZ-SFHVURJKSA-N 2 2 272.436 3.179 20 0 CGADLP c1ccc(CCC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000170695204 372650034 /nfs/dbraw/zinc/65/00/34/372650034.db2.gz YPRPDMTZGVJHBZ-SFHVURJKSA-N 2 2 272.436 3.179 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)ccc1F)CCC2 ZINC000344512915 217216339 /nfs/dbraw/zinc/21/63/39/217216339.db2.gz KUBJPDXQGCIBBY-AWEZNQCLSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1ncsc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000344544626 217227628 /nfs/dbraw/zinc/22/76/28/217227628.db2.gz RHRVDGVXJDDZEH-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC1CCOCC1 ZINC000434794995 372711967 /nfs/dbraw/zinc/71/19/67/372711967.db2.gz PIBZRFICKDAPDY-YJBOKZPZSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC1CCOCC1 ZINC000434794995 372711975 /nfs/dbraw/zinc/71/19/75/372711975.db2.gz PIBZRFICKDAPDY-YJBOKZPZSA-N 2 2 294.483 3.046 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC000171931189 372858011 /nfs/dbraw/zinc/85/80/11/372858011.db2.gz OUNCLWURBGGPKG-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc(Cl)c2)CC1 ZINC000171931189 372858017 /nfs/dbraw/zinc/85/80/17/372858017.db2.gz OUNCLWURBGGPKG-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000344688644 217276668 /nfs/dbraw/zinc/27/66/68/217276668.db2.gz VEVSKBIHJYHYHA-TZMCWYRMSA-N 2 2 293.480 3.373 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000344688644 217276670 /nfs/dbraw/zinc/27/66/70/217276670.db2.gz VEVSKBIHJYHYHA-TZMCWYRMSA-N 2 2 293.480 3.373 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)[NH+](C)C ZINC000442724452 373070339 /nfs/dbraw/zinc/07/03/39/373070339.db2.gz ZNOYIJMIFVUWAQ-CABCVRRESA-N 2 2 299.462 3.201 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000296523375 373163201 /nfs/dbraw/zinc/16/32/01/373163201.db2.gz SCUGQGJGXORMDL-IIAWOOMASA-N 2 2 284.407 3.182 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000443011493 373140880 /nfs/dbraw/zinc/14/08/80/373140880.db2.gz FAAJPQTXILFLAA-CYBMUJFWSA-N 2 2 257.381 3.393 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000444643961 373218641 /nfs/dbraw/zinc/21/86/41/373218641.db2.gz WWEDFAZWYYOQFL-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000444643961 373218650 /nfs/dbraw/zinc/21/86/50/373218650.db2.gz WWEDFAZWYYOQFL-SFHVURJKSA-N 2 2 294.483 3.144 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC000173954852 373224215 /nfs/dbraw/zinc/22/42/15/373224215.db2.gz PYOZOLCERZQOTJ-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(F)ccc1F ZINC000173954852 373224225 /nfs/dbraw/zinc/22/42/25/373224225.db2.gz PYOZOLCERZQOTJ-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(F)ccc1F ZINC000173954852 373224233 /nfs/dbraw/zinc/22/42/33/373224233.db2.gz PYOZOLCERZQOTJ-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1F ZINC000173954852 373224243 /nfs/dbraw/zinc/22/42/43/373224243.db2.gz PYOZOLCERZQOTJ-HNNXBMFYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353577162 220169773 /nfs/dbraw/zinc/16/97/73/220169773.db2.gz SEIRFXDTGHTJQY-CQSZACIVSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353577162 220169776 /nfs/dbraw/zinc/16/97/76/220169776.db2.gz SEIRFXDTGHTJQY-CQSZACIVSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353577162 220169779 /nfs/dbraw/zinc/16/97/79/220169779.db2.gz SEIRFXDTGHTJQY-CQSZACIVSA-N 2 2 252.402 3.222 20 0 CGADLP CCC[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353577162 220169782 /nfs/dbraw/zinc/16/97/82/220169782.db2.gz SEIRFXDTGHTJQY-CQSZACIVSA-N 2 2 252.402 3.222 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000297401701 373268502 /nfs/dbraw/zinc/26/85/02/373268502.db2.gz FVXDGKSWTUPJTI-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000297401701 373268511 /nfs/dbraw/zinc/26/85/11/373268511.db2.gz FVXDGKSWTUPJTI-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000298402732 373315080 /nfs/dbraw/zinc/31/50/80/373315080.db2.gz LWFMXQRFQKKVHB-GOSISDBHSA-N 2 2 283.419 3.060 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000298402732 373315087 /nfs/dbraw/zinc/31/50/87/373315087.db2.gz LWFMXQRFQKKVHB-GOSISDBHSA-N 2 2 283.419 3.060 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CCC1 ZINC000448022248 373536849 /nfs/dbraw/zinc/53/68/49/373536849.db2.gz NENUQODZLJTJHQ-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CCC1 ZINC000448022248 373536857 /nfs/dbraw/zinc/53/68/57/373536857.db2.gz NENUQODZLJTJHQ-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCC[N@@H+]1C ZINC000448334770 373563697 /nfs/dbraw/zinc/56/36/97/373563697.db2.gz KNOYGDSUESQHSO-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCC[N@H+]1C ZINC000448334770 373563700 /nfs/dbraw/zinc/56/37/00/373563700.db2.gz KNOYGDSUESQHSO-RDTXWAMCSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCC2 ZINC000353633075 220210597 /nfs/dbraw/zinc/21/05/97/220210597.db2.gz VWDOIJRYSQHDDE-CMPLNLGQSA-N 2 2 287.432 3.168 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2c(s1)CCC2 ZINC000353633075 220210600 /nfs/dbraw/zinc/21/06/00/220210600.db2.gz VWDOIJRYSQHDDE-CMPLNLGQSA-N 2 2 287.432 3.168 20 0 CGADLP Cc1cc(NCCC[NH+]2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000301062285 373644758 /nfs/dbraw/zinc/64/47/58/373644758.db2.gz GRTHOGWSLQJFAX-UHFFFAOYSA-N 2 2 290.455 3.442 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000177807188 373711011 /nfs/dbraw/zinc/71/10/11/373711011.db2.gz DFNRDWDBWDJYOE-INIZCTEOSA-N 2 2 299.418 3.308 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000449129525 373663622 /nfs/dbraw/zinc/66/36/22/373663622.db2.gz VKXYBBDXVWHNAQ-GOEBONIOSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000449129525 373663630 /nfs/dbraw/zinc/66/36/30/373663630.db2.gz VKXYBBDXVWHNAQ-GOEBONIOSA-N 2 2 250.430 3.172 20 0 CGADLP C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449130136 373663683 /nfs/dbraw/zinc/66/36/83/373663683.db2.gz XPTOQCKGGCLGNU-ZBFHGGJFSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449130136 373663690 /nfs/dbraw/zinc/66/36/90/373663690.db2.gz XPTOQCKGGCLGNU-ZBFHGGJFSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000449482540 373771845 /nfs/dbraw/zinc/77/18/45/373771845.db2.gz YSWWPDDKGSKODH-KRWDZBQOSA-N 2 2 288.435 3.262 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353661784 220234806 /nfs/dbraw/zinc/23/48/06/220234806.db2.gz XKGNTHXAOHUSPM-ZFWWWQNUSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353661784 220234809 /nfs/dbraw/zinc/23/48/09/220234809.db2.gz XKGNTHXAOHUSPM-ZFWWWQNUSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353661784 220234813 /nfs/dbraw/zinc/23/48/13/220234813.db2.gz XKGNTHXAOHUSPM-ZFWWWQNUSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353661784 220234815 /nfs/dbraw/zinc/23/48/15/220234815.db2.gz XKGNTHXAOHUSPM-ZFWWWQNUSA-N 2 2 278.415 3.303 20 0 CGADLP Cc1cccn2c(C[NH2+]CCCc3ncccc3C)c[nH+]c12 ZINC000449486123 373776273 /nfs/dbraw/zinc/77/62/73/373776273.db2.gz SRFZYVJWYOUCAK-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178330119 373766455 /nfs/dbraw/zinc/76/64/55/373766455.db2.gz WOULYIVNAJYYJC-CABCVRRESA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178330119 373766460 /nfs/dbraw/zinc/76/64/60/373766460.db2.gz WOULYIVNAJYYJC-CABCVRRESA-N 2 2 296.480 3.064 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000449514284 373814169 /nfs/dbraw/zinc/81/41/69/373814169.db2.gz VQESUVITXCHQAB-QZTJIDSGSA-N 2 2 292.467 3.201 20 0 CGADLP CCO[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000449503242 373800969 /nfs/dbraw/zinc/80/09/69/373800969.db2.gz PJMDVQYJTMCJGO-RHSMWYFYSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000449503242 373800977 /nfs/dbraw/zinc/80/09/77/373800977.db2.gz PJMDVQYJTMCJGO-RHSMWYFYSA-N 2 2 276.424 3.070 20 0 CGADLP CC(C)CC[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179678251 373903357 /nfs/dbraw/zinc/90/33/57/373903357.db2.gz SBANERIDJAISKA-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179678251 373903364 /nfs/dbraw/zinc/90/33/64/373903364.db2.gz SBANERIDJAISKA-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)cc[nH+]1 ZINC000302264362 373846995 /nfs/dbraw/zinc/84/69/95/373846995.db2.gz FFICIHVROIHRLM-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2C2CCC2)[nH+]1 ZINC000179954461 373946110 /nfs/dbraw/zinc/94/61/10/373946110.db2.gz VTNGQKQYNLJACL-HNNXBMFYSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2C2CCC2)[nH+]1 ZINC000179954461 373946120 /nfs/dbraw/zinc/94/61/20/373946120.db2.gz VTNGQKQYNLJACL-HNNXBMFYSA-N 2 2 255.365 3.099 20 0 CGADLP CCS[C@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180221341 373979269 /nfs/dbraw/zinc/97/92/69/373979269.db2.gz UKXHJOLOQIZHHD-HNNXBMFYSA-N 2 2 289.448 3.442 20 0 CGADLP CCS[C@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180221341 373979274 /nfs/dbraw/zinc/97/92/74/373979274.db2.gz UKXHJOLOQIZHHD-HNNXBMFYSA-N 2 2 289.448 3.442 20 0 CGADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000450270251 374031329 /nfs/dbraw/zinc/03/13/29/374031329.db2.gz QVZBSOQGCHUEFZ-CYBMUJFWSA-N 2 2 296.484 3.043 20 0 CGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000450270251 374031337 /nfs/dbraw/zinc/03/13/37/374031337.db2.gz QVZBSOQGCHUEFZ-CYBMUJFWSA-N 2 2 296.484 3.043 20 0 CGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000181395669 374117955 /nfs/dbraw/zinc/11/79/55/374117955.db2.gz CRPLSZAEAHXWBE-XHSDSOJGSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)CC1(C)C ZINC000450450906 374137339 /nfs/dbraw/zinc/13/73/39/374137339.db2.gz GEHPFJONGPMBGJ-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)CC1(C)C ZINC000450450906 374137348 /nfs/dbraw/zinc/13/73/48/374137348.db2.gz GEHPFJONGPMBGJ-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000450450906 374137356 /nfs/dbraw/zinc/13/73/56/374137356.db2.gz GEHPFJONGPMBGJ-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000450450906 374137360 /nfs/dbraw/zinc/13/73/60/374137360.db2.gz GEHPFJONGPMBGJ-GJZGRUSLSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000309742079 374195279 /nfs/dbraw/zinc/19/52/79/374195279.db2.gz SFHAXJOBARJAPT-LSDHHAIUSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC000309742079 374195289 /nfs/dbraw/zinc/19/52/89/374195289.db2.gz SFHAXJOBARJAPT-LSDHHAIUSA-N 2 2 260.425 3.285 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309810658 374199665 /nfs/dbraw/zinc/19/96/65/374199665.db2.gz MSAKSCKBCQNCRH-HNNXBMFYSA-N 2 2 292.386 3.249 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000309810658 374199671 /nfs/dbraw/zinc/19/96/71/374199671.db2.gz MSAKSCKBCQNCRH-HNNXBMFYSA-N 2 2 292.386 3.249 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309882083 374201227 /nfs/dbraw/zinc/20/12/27/374201227.db2.gz JVRMTMWZVCKNPD-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309882083 374201232 /nfs/dbraw/zinc/20/12/32/374201232.db2.gz JVRMTMWZVCKNPD-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1Cl ZINC000310859841 374226989 /nfs/dbraw/zinc/22/69/89/374226989.db2.gz NRCOKVQKIRCZMI-WDEREUQCSA-N 2 2 272.795 3.327 20 0 CGADLP C[N@H+](C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1C=CCCC1 ZINC000452107760 374237325 /nfs/dbraw/zinc/23/73/25/374237325.db2.gz CCEXIMJTLIJKFY-ZDUSSCGKSA-N 2 2 290.373 3.444 20 0 CGADLP C[N@@H+](C1CC[NH+](CCC(F)(F)F)CC1)[C@H]1C=CCCC1 ZINC000452107760 374237331 /nfs/dbraw/zinc/23/73/31/374237331.db2.gz CCEXIMJTLIJKFY-ZDUSSCGKSA-N 2 2 290.373 3.444 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000311571434 374246991 /nfs/dbraw/zinc/24/69/91/374246991.db2.gz CCOZISHAPNJJBK-NRUUGDAUSA-N 2 2 272.314 3.188 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000311571434 374247002 /nfs/dbraw/zinc/24/70/02/374247002.db2.gz CCOZISHAPNJJBK-NRUUGDAUSA-N 2 2 272.314 3.188 20 0 CGADLP Cc1ccc(C[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182792092 374328746 /nfs/dbraw/zinc/32/87/46/374328746.db2.gz WKNXNISNRADEMX-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP Cc1ccc(C[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182792092 374328749 /nfs/dbraw/zinc/32/87/49/374328749.db2.gz WKNXNISNRADEMX-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319877744 374347387 /nfs/dbraw/zinc/34/73/87/374347387.db2.gz HZDOFCDDGINSDX-UXLLHSPISA-N 2 2 299.418 3.074 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000090847571 541965549 /nfs/dbraw/zinc/96/55/49/541965549.db2.gz NOOGIULROYVGDS-NSHDSACASA-N 2 2 261.394 3.048 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000185496431 374674587 /nfs/dbraw/zinc/67/45/87/374674587.db2.gz APRFAVQPWYYJAF-CQSZACIVSA-N 2 2 289.448 3.421 20 0 CGADLP FC1(F)CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000334566953 374867445 /nfs/dbraw/zinc/86/74/45/374867445.db2.gz RTXLZNAZHMDFOI-UHFFFAOYSA-N 2 2 283.366 3.415 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000186541417 374871597 /nfs/dbraw/zinc/87/15/97/374871597.db2.gz JQGSYBPJULSRKM-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000186541417 374871598 /nfs/dbraw/zinc/87/15/98/374871598.db2.gz JQGSYBPJULSRKM-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292272552 296224094 /nfs/dbraw/zinc/22/40/94/296224094.db2.gz ZUGIRSZOYKKZCG-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000462725221 374834041 /nfs/dbraw/zinc/83/40/41/374834041.db2.gz ARVIKKVXSRZQFR-YJBOKZPZSA-N 2 2 286.463 3.254 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292272552 296224095 /nfs/dbraw/zinc/22/40/95/296224095.db2.gz ZUGIRSZOYKKZCG-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292272552 296224097 /nfs/dbraw/zinc/22/40/97/296224097.db2.gz ZUGIRSZOYKKZCG-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292272552 296224099 /nfs/dbraw/zinc/22/40/99/296224099.db2.gz ZUGIRSZOYKKZCG-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000334648141 374940451 /nfs/dbraw/zinc/94/04/51/374940451.db2.gz SWUDXCNWXXWSHC-JTQLQIEISA-N 2 2 293.773 3.158 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1c[nH+]ccc1N ZINC000335012223 375069906 /nfs/dbraw/zinc/06/99/06/375069906.db2.gz XDXRGMKXSDXLHF-ABAIWWIYSA-N 2 2 285.416 3.382 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOC2(C1)CCCCCC2 ZINC000477845311 375146026 /nfs/dbraw/zinc/14/60/26/375146026.db2.gz FKMPUHLJJJXSHL-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCOC2(C1)CCCCCC2 ZINC000477845311 375146032 /nfs/dbraw/zinc/14/60/32/375146032.db2.gz FKMPUHLJJJXSHL-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477845311 375146040 /nfs/dbraw/zinc/14/60/40/375146040.db2.gz FKMPUHLJJJXSHL-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477845311 375146045 /nfs/dbraw/zinc/14/60/45/375146045.db2.gz FKMPUHLJJJXSHL-KRWDZBQOSA-N 2 2 294.483 3.286 20 0 CGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000482890290 375172854 /nfs/dbraw/zinc/17/28/54/375172854.db2.gz RFTMVOFDCLLRAV-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000482890290 375172860 /nfs/dbraw/zinc/17/28/60/375172860.db2.gz RFTMVOFDCLLRAV-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189074859 375319716 /nfs/dbraw/zinc/31/97/16/375319716.db2.gz YXWZNNHGJSQNQP-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189074859 375319722 /nfs/dbraw/zinc/31/97/22/375319722.db2.gz YXWZNNHGJSQNQP-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494891825 375493677 /nfs/dbraw/zinc/49/36/77/375493677.db2.gz KTRWNZDFLLEVDS-VKJFTORMSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000494891825 375493682 /nfs/dbraw/zinc/49/36/82/375493682.db2.gz KTRWNZDFLLEVDS-VKJFTORMSA-N 2 2 286.463 3.457 20 0 CGADLP C[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000336055848 375650650 /nfs/dbraw/zinc/65/06/50/375650650.db2.gz REEKABHWZGACNH-JQWIXIFHSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1[NH3+] ZINC000336055848 375650659 /nfs/dbraw/zinc/65/06/59/375650659.db2.gz REEKABHWZGACNH-JQWIXIFHSA-N 2 2 293.461 3.041 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000192038031 375692454 /nfs/dbraw/zinc/69/24/54/375692454.db2.gz GDYUHRQOKBYWQM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000192038031 375692458 /nfs/dbraw/zinc/69/24/58/375692458.db2.gz GDYUHRQOKBYWQM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000192038031 375692465 /nfs/dbraw/zinc/69/24/65/375692465.db2.gz GDYUHRQOKBYWQM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000192038031 375692469 /nfs/dbraw/zinc/69/24/69/375692469.db2.gz GDYUHRQOKBYWQM-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000122766381 542025461 /nfs/dbraw/zinc/02/54/61/542025461.db2.gz GGMUIJSTDLZYLY-CQSZACIVSA-N 2 2 275.440 3.322 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057899 375694644 /nfs/dbraw/zinc/69/46/44/375694644.db2.gz YDCHFHIKUBQBLM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057899 375694648 /nfs/dbraw/zinc/69/46/48/375694648.db2.gz YDCHFHIKUBQBLM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057899 375694656 /nfs/dbraw/zinc/69/46/56/375694656.db2.gz YDCHFHIKUBQBLM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000192057899 375694666 /nfs/dbraw/zinc/69/46/66/375694666.db2.gz YDCHFHIKUBQBLM-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCC1CC1 ZINC000192122184 375700625 /nfs/dbraw/zinc/70/06/25/375700625.db2.gz LIPYRJFOTKGUAH-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCC1CC1 ZINC000192122184 375700631 /nfs/dbraw/zinc/70/06/31/375700631.db2.gz LIPYRJFOTKGUAH-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP CC(C)[C@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507470318 375705712 /nfs/dbraw/zinc/70/57/12/375705712.db2.gz MJVQRAZUNIJFJG-GFCCVEGCSA-N 2 2 280.378 3.285 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000194057357 375956231 /nfs/dbraw/zinc/95/62/31/375956231.db2.gz IIKYEULJBPPKAF-MAZHCROVSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000194057357 375956237 /nfs/dbraw/zinc/95/62/37/375956237.db2.gz IIKYEULJBPPKAF-MAZHCROVSA-N 2 2 296.842 3.100 20 0 CGADLP FC1(F)CCC(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000337273393 376184636 /nfs/dbraw/zinc/18/46/36/376184636.db2.gz CRJDOOGZBNZWDJ-UHFFFAOYSA-N 2 2 279.334 3.249 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C2CC2)ccc1F ZINC000538101397 376220633 /nfs/dbraw/zinc/22/06/33/376220633.db2.gz XZVQDOCJSKDFRV-NVXWUHKLSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000538101397 376220637 /nfs/dbraw/zinc/22/06/37/376220637.db2.gz XZVQDOCJSKDFRV-NVXWUHKLSA-N 2 2 276.399 3.269 20 0 CGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000221910258 376224319 /nfs/dbraw/zinc/22/43/19/376224319.db2.gz RKJNHLMKLFORSU-AWEZNQCLSA-N 2 2 294.439 3.085 20 0 CGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000221910258 376224327 /nfs/dbraw/zinc/22/43/27/376224327.db2.gz RKJNHLMKLFORSU-AWEZNQCLSA-N 2 2 294.439 3.085 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)[nH+]c1 ZINC000337987407 376250649 /nfs/dbraw/zinc/25/06/49/376250649.db2.gz KJFOKJOGFNIMJC-IRXDYDNUSA-N 2 2 285.435 3.219 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000338002187 376253433 /nfs/dbraw/zinc/25/34/33/376253433.db2.gz UTMFAZCJCHSBIE-CHWSQXEVSA-N 2 2 293.361 3.161 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000338304625 376327021 /nfs/dbraw/zinc/32/70/21/376327021.db2.gz QABBCNLVXQPONH-CQSZACIVSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000226330913 376353208 /nfs/dbraw/zinc/35/32/08/376353208.db2.gz WIFSAGJLAPTLGQ-SDDRHHMPSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000226330913 376353212 /nfs/dbraw/zinc/35/32/12/376353212.db2.gz WIFSAGJLAPTLGQ-SDDRHHMPSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000539218269 376298514 /nfs/dbraw/zinc/29/85/14/376298514.db2.gz QLUNZTUCHKUBOB-ZIAGYGMSSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000539218269 376298519 /nfs/dbraw/zinc/29/85/19/376298519.db2.gz QLUNZTUCHKUBOB-ZIAGYGMSSA-N 2 2 280.843 3.202 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000338362823 376350972 /nfs/dbraw/zinc/35/09/72/376350972.db2.gz ODJFJGHLZRFAEX-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000338362823 376350977 /nfs/dbraw/zinc/35/09/77/376350977.db2.gz ODJFJGHLZRFAEX-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338687569 376479567 /nfs/dbraw/zinc/47/95/67/376479567.db2.gz MNCXUQIDXAIAJZ-SRABZTEZSA-N 2 2 269.392 3.053 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000542162906 376514204 /nfs/dbraw/zinc/51/42/04/376514204.db2.gz ORRCUHJLMXWNOD-ZNMIVQPWSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000542162906 376514213 /nfs/dbraw/zinc/51/42/13/376514213.db2.gz ORRCUHJLMXWNOD-ZNMIVQPWSA-N 2 2 250.430 3.336 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000232706466 376584276 /nfs/dbraw/zinc/58/42/76/376584276.db2.gz HCUCMQQIKAXOAP-QGZVFWFLSA-N 2 2 260.425 3.112 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000234219618 376612715 /nfs/dbraw/zinc/61/27/15/376612715.db2.gz RYTALCAJDHOOFY-QLFBSQMISA-N 2 2 293.480 3.106 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235516066 376643814 /nfs/dbraw/zinc/64/38/14/376643814.db2.gz MNOMRGGRYROSLF-GXFFZTMASA-N 2 2 272.314 3.108 20 0 CGADLP c1[nH]cc(C2CC[NH+]([C@H]3C=CCCCCC3)CC2)[nH+]1 ZINC000339047307 376644541 /nfs/dbraw/zinc/64/45/41/376644541.db2.gz WLRRGQMSASQPQY-HNNXBMFYSA-N 2 2 259.397 3.478 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000235708833 376649112 /nfs/dbraw/zinc/64/91/12/376649112.db2.gz AVDCWXVZKSFJTQ-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000235708833 376649115 /nfs/dbraw/zinc/64/91/15/376649115.db2.gz AVDCWXVZKSFJTQ-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@H](Cc1ccsc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000544021263 376695369 /nfs/dbraw/zinc/69/53/69/376695369.db2.gz RZPPMAVXMKFUOE-GFCCVEGCSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000245542557 376847632 /nfs/dbraw/zinc/84/76/32/376847632.db2.gz PZLLMYRPWJSBPK-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000245542557 376847638 /nfs/dbraw/zinc/84/76/38/376847638.db2.gz PZLLMYRPWJSBPK-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000245542557 376847642 /nfs/dbraw/zinc/84/76/42/376847642.db2.gz PZLLMYRPWJSBPK-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000245542557 376847649 /nfs/dbraw/zinc/84/76/49/376847649.db2.gz PZLLMYRPWJSBPK-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000245548156 376849123 /nfs/dbraw/zinc/84/91/23/376849123.db2.gz YGEUMPYBHZIGLF-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nccs1 ZINC000245548156 376849127 /nfs/dbraw/zinc/84/91/27/376849127.db2.gz YGEUMPYBHZIGLF-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245969763 376946887 /nfs/dbraw/zinc/94/68/87/376946887.db2.gz ZNQGHDFVDVXVOU-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245969763 376946896 /nfs/dbraw/zinc/94/68/96/376946896.db2.gz ZNQGHDFVDVXVOU-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000245984485 376949087 /nfs/dbraw/zinc/94/90/87/376949087.db2.gz PWQNCSUCPYUUNF-ZUUPMSEOSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000245984485 376949092 /nfs/dbraw/zinc/94/90/92/376949092.db2.gz PWQNCSUCPYUUNF-ZUUPMSEOSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000245984485 376949099 /nfs/dbraw/zinc/94/90/99/376949099.db2.gz PWQNCSUCPYUUNF-ZUUPMSEOSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000245984485 376949104 /nfs/dbraw/zinc/94/91/04/376949104.db2.gz PWQNCSUCPYUUNF-ZUUPMSEOSA-N 2 2 270.420 3.116 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558680848 377031778 /nfs/dbraw/zinc/03/17/78/377031778.db2.gz PXOFAPWUZCSSAI-LZBKUMLDSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558680848 377031781 /nfs/dbraw/zinc/03/17/81/377031781.db2.gz PXOFAPWUZCSSAI-LZBKUMLDSA-N 2 2 284.447 3.285 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1CCC3(CC3)CC1)CCCC2 ZINC000560065880 377117361 /nfs/dbraw/zinc/11/73/61/377117361.db2.gz SRCKEILGMYRICQ-UHFFFAOYSA-N 2 2 259.397 3.032 20 0 CGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000560880371 377194891 /nfs/dbraw/zinc/19/48/91/377194891.db2.gz WMAICOLKVFIARR-GJZGRUSLSA-N 2 2 293.455 3.235 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000340593551 377162673 /nfs/dbraw/zinc/16/26/73/377162673.db2.gz BXUHRJIXBPENHL-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247691844 377233052 /nfs/dbraw/zinc/23/30/52/377233052.db2.gz SSGJGEKVMYVTSZ-RDJZCZTQSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247691844 377233061 /nfs/dbraw/zinc/23/30/61/377233061.db2.gz SSGJGEKVMYVTSZ-RDJZCZTQSA-N 2 2 269.392 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957757 377246185 /nfs/dbraw/zinc/24/61/85/377246185.db2.gz FTZUESBHJFKJDF-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957757 377246187 /nfs/dbraw/zinc/24/61/87/377246187.db2.gz FTZUESBHJFKJDF-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957757 377246196 /nfs/dbraw/zinc/24/61/96/377246196.db2.gz FTZUESBHJFKJDF-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)CC[C@H]21 ZINC000247957757 377246200 /nfs/dbraw/zinc/24/62/00/377246200.db2.gz FTZUESBHJFKJDF-DGCLKSJQSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000562522622 377323694 /nfs/dbraw/zinc/32/36/94/377323694.db2.gz YBGMICBUMJTZAO-NFAWXSAZSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000562746336 377355965 /nfs/dbraw/zinc/35/59/65/377355965.db2.gz UKODHOJLHQMANF-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000563267960 377429735 /nfs/dbraw/zinc/42/97/35/377429735.db2.gz HBGCSWOYLHJVOW-ZDUSSCGKSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129384 377411815 /nfs/dbraw/zinc/41/18/15/377411815.db2.gz QACKHXPYYQAXHX-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129384 377411818 /nfs/dbraw/zinc/41/18/18/377411818.db2.gz QACKHXPYYQAXHX-CVEARBPZSA-N 2 2 263.429 3.421 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccc(OC)cc1 ZINC000342656402 284634914 /nfs/dbraw/zinc/63/49/14/284634914.db2.gz BSOYZRYVMJKCFS-OLMNPRSZSA-N 2 2 290.451 3.119 20 0 CGADLP Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(C)[nH+]1 ZINC000094664505 249041999 /nfs/dbraw/zinc/04/19/99/249041999.db2.gz YMMPMVQBOUPGPK-UHFFFAOYSA-N 2 2 278.359 3.496 20 0 CGADLP CCCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313311571 249090767 /nfs/dbraw/zinc/09/07/67/249090767.db2.gz XOAHPBNWJRYZKL-KRWDZBQOSA-N 2 2 271.408 3.484 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313278451 249090243 /nfs/dbraw/zinc/09/02/43/249090243.db2.gz BFBCYKFMWJMZGQ-AWEZNQCLSA-N 2 2 271.408 3.437 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]CCc3cn(C)c[nH+]3)oc21 ZINC000313269855 249090381 /nfs/dbraw/zinc/09/03/81/249090381.db2.gz MBZOYLPJZSPZSY-GFCCVEGCSA-N 2 2 299.374 3.068 20 0 CGADLP CC(C)(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422904861 249127201 /nfs/dbraw/zinc/12/72/01/249127201.db2.gz YFLBJPBUXRWWKS-LSDHHAIUSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422904859 249127214 /nfs/dbraw/zinc/12/72/14/249127214.db2.gz YFLBJPBUXRWWKS-GJZGRUSLSA-N 2 2 264.388 3.255 20 0 CGADLP CCCCOc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000514799429 249190020 /nfs/dbraw/zinc/19/00/20/249190020.db2.gz VDBYCZHNSBDJLW-UHFFFAOYSA-N 2 2 276.424 3.051 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000177546397 542192019 /nfs/dbraw/zinc/19/20/19/542192019.db2.gz YJLYVRCROWGSSY-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000177546397 542192024 /nfs/dbraw/zinc/19/20/24/542192024.db2.gz YJLYVRCROWGSSY-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000516759669 249243257 /nfs/dbraw/zinc/24/32/57/249243257.db2.gz WHZJDNNMVYFFDQ-LBPRGKRZSA-N 2 2 281.469 3.061 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Oc2ccccc2)cn1 ZINC000516861442 249245985 /nfs/dbraw/zinc/24/59/85/249245985.db2.gz IVEQNWDKJYKRMT-AWEZNQCLSA-N 2 2 297.402 3.406 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341478127 377584183 /nfs/dbraw/zinc/58/41/83/377584183.db2.gz GXCFCVWJOLVRRS-CHWSQXEVSA-N 2 2 275.421 3.460 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000251515237 377586688 /nfs/dbraw/zinc/58/66/88/377586688.db2.gz JKPAZFATUFFCTK-MJBXVCDLSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000251515237 377586691 /nfs/dbraw/zinc/58/66/91/377586691.db2.gz JKPAZFATUFFCTK-MJBXVCDLSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1nccn1-c1ccccc1 ZINC000517356025 249264075 /nfs/dbraw/zinc/26/40/75/249264075.db2.gz AHHFLNBPSTYEPR-BHYGNILZSA-N 2 2 298.434 3.183 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(F)F)CC1 ZINC000178388534 542197097 /nfs/dbraw/zinc/19/70/97/542197097.db2.gz CSPZZNHHWIQUGT-ZDUSSCGKSA-N 2 2 274.399 3.228 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(F)F)CC1 ZINC000178388534 542197103 /nfs/dbraw/zinc/19/71/03/542197103.db2.gz CSPZZNHHWIQUGT-ZDUSSCGKSA-N 2 2 274.399 3.228 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251764674 377598762 /nfs/dbraw/zinc/59/87/62/377598762.db2.gz MAUIOFJQHINBSZ-GPCCPHFNSA-N 2 2 270.779 3.209 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251764674 377598767 /nfs/dbraw/zinc/59/87/67/377598767.db2.gz MAUIOFJQHINBSZ-GPCCPHFNSA-N 2 2 270.779 3.209 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252416108 377620808 /nfs/dbraw/zinc/62/08/08/377620808.db2.gz SHCQFGXAGXHCIE-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252416108 377620815 /nfs/dbraw/zinc/62/08/15/377620815.db2.gz SHCQFGXAGXHCIE-UXLLHSPISA-N 2 2 260.425 3.285 20 0 CGADLP Clc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674916 377650528 /nfs/dbraw/zinc/65/05/28/377650528.db2.gz VPVQCVJJWMEQKL-KBPBESRZSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674916 377650536 /nfs/dbraw/zinc/65/05/36/377650536.db2.gz VPVQCVJJWMEQKL-KBPBESRZSA-N 2 2 264.800 3.056 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000574441891 377664508 /nfs/dbraw/zinc/66/45/08/377664508.db2.gz FDAGGJMWNGNPNG-IHRRRGAJSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000574441891 377664516 /nfs/dbraw/zinc/66/45/16/377664516.db2.gz FDAGGJMWNGNPNG-IHRRRGAJSA-N 2 2 263.429 3.317 20 0 CGADLP Fc1cccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)c1F ZINC000342695770 377741695 /nfs/dbraw/zinc/74/16/95/377741695.db2.gz QADNDIALRUHLAB-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP CCC1CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000342697946 377741982 /nfs/dbraw/zinc/74/19/82/377741982.db2.gz LLRCMBRMRXIDRQ-UHFFFAOYSA-N 2 2 255.365 3.151 20 0 CGADLP Fc1cccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000342749139 377773512 /nfs/dbraw/zinc/77/35/12/377773512.db2.gz JLEUFMFRFGQXRY-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1cccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000342749139 377773519 /nfs/dbraw/zinc/77/35/19/377773519.db2.gz JLEUFMFRFGQXRY-CYBMUJFWSA-N 2 2 291.345 3.110 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261905641 377865746 /nfs/dbraw/zinc/86/57/46/377865746.db2.gz WZEDFDDGSXWGML-DYVFJYSZSA-N 2 2 285.391 3.073 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261905641 377865751 /nfs/dbraw/zinc/86/57/51/377865751.db2.gz WZEDFDDGSXWGML-DYVFJYSZSA-N 2 2 285.391 3.073 20 0 CGADLP C[N@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261922969 377867616 /nfs/dbraw/zinc/86/76/16/377867616.db2.gz KSELCTDOKQOKGG-GFCCVEGCSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1ncc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000261922969 377867621 /nfs/dbraw/zinc/86/76/21/377867621.db2.gz KSELCTDOKQOKGG-GFCCVEGCSA-N 2 2 281.469 3.015 20 0 CGADLP CCCCOC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342949066 377870864 /nfs/dbraw/zinc/87/08/64/377870864.db2.gz CCZWTXYRZWIVPU-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1[NH3+] ZINC000262044735 377881444 /nfs/dbraw/zinc/88/14/44/377881444.db2.gz PPSZEEUCQOLNDR-LRDDRELGSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1[NH3+] ZINC000262044735 377881448 /nfs/dbraw/zinc/88/14/48/377881448.db2.gz PPSZEEUCQOLNDR-LRDDRELGSA-N 2 2 272.417 3.194 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262542385 377900447 /nfs/dbraw/zinc/90/04/47/377900447.db2.gz RGUSOMVCTJWTPO-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262542385 377900453 /nfs/dbraw/zinc/90/04/53/377900453.db2.gz RGUSOMVCTJWTPO-MAUKXSAKSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1cccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1C ZINC000343663473 378057527 /nfs/dbraw/zinc/05/75/27/378057527.db2.gz SVPGQHIDHSKOPL-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CSCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343672852 378060921 /nfs/dbraw/zinc/06/09/21/378060921.db2.gz GOZCMOUKHPRWRA-UHFFFAOYSA-N 2 2 275.421 3.057 20 0 CGADLP CSCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343672852 378060926 /nfs/dbraw/zinc/06/09/26/378060926.db2.gz GOZCMOUKHPRWRA-UHFFFAOYSA-N 2 2 275.421 3.057 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000268791129 378112771 /nfs/dbraw/zinc/11/27/71/378112771.db2.gz DGNNUFWOCSNRGE-RISCZKNCSA-N 2 2 291.395 3.237 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000268733032 378098736 /nfs/dbraw/zinc/09/87/36/378098736.db2.gz UQYJCWGBHACJDX-ZIAGYGMSSA-N 2 2 295.390 3.018 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000268783199 378109219 /nfs/dbraw/zinc/10/92/19/378109219.db2.gz AFIDZPQZXRJXEX-DZGCQCFKSA-N 2 2 257.381 3.239 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(Cl)c2)n1C ZINC000578884813 378110095 /nfs/dbraw/zinc/11/00/95/378110095.db2.gz STRZUWXNFLLCHV-SNVBAGLBSA-N 2 2 263.772 3.233 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000583467778 378324841 /nfs/dbraw/zinc/32/48/41/378324841.db2.gz SHZXOFCQBIRHSC-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000583467778 378324846 /nfs/dbraw/zinc/32/48/46/378324846.db2.gz SHZXOFCQBIRHSC-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP c1ccc2c(c1)[nH+]ccc2N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345702545 378349867 /nfs/dbraw/zinc/34/98/67/378349867.db2.gz ZXQKSPQPCJNCMZ-HNNXBMFYSA-N 2 2 291.354 3.288 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000270868011 378407588 /nfs/dbraw/zinc/40/75/88/378407588.db2.gz TXXLJSTWCWMOMB-CQSZACIVSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000270880183 378408660 /nfs/dbraw/zinc/40/86/60/378408660.db2.gz NKMOUCRMNRCWOT-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000270880183 378408665 /nfs/dbraw/zinc/40/86/65/378408665.db2.gz NKMOUCRMNRCWOT-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346088425 378460262 /nfs/dbraw/zinc/46/02/62/378460262.db2.gz JQDNAWLOYYIOCR-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346088425 378460266 /nfs/dbraw/zinc/46/02/66/378460266.db2.gz JQDNAWLOYYIOCR-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC[C@@H](C)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142137 378477971 /nfs/dbraw/zinc/47/79/71/378477971.db2.gz OQHYTUOZWHMTDJ-GFCCVEGCSA-N 2 2 263.410 3.412 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142137 378477978 /nfs/dbraw/zinc/47/79/78/378477978.db2.gz OQHYTUOZWHMTDJ-GFCCVEGCSA-N 2 2 263.410 3.412 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000271198940 378479566 /nfs/dbraw/zinc/47/95/66/378479566.db2.gz PVBOANBZNGWFHJ-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP CC(C)[C@H]1CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346173623 378490514 /nfs/dbraw/zinc/49/05/14/378490514.db2.gz KKSHXTBZKZQXRU-CQSZACIVSA-N 2 2 261.394 3.164 20 0 CGADLP CC(C)[C@H]1CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346173623 378490516 /nfs/dbraw/zinc/49/05/16/378490516.db2.gz KKSHXTBZKZQXRU-CQSZACIVSA-N 2 2 261.394 3.164 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CC[C@H](C4CC4)C3)c2)c[nH+]1 ZINC000346230537 378513464 /nfs/dbraw/zinc/51/34/64/378513464.db2.gz WOQQGSLPZUXUOQ-ZDUSSCGKSA-N 2 2 273.405 3.166 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CC[C@H](C4CC4)C3)c2)c[nH+]1 ZINC000346230537 378513471 /nfs/dbraw/zinc/51/34/71/378513471.db2.gz WOQQGSLPZUXUOQ-ZDUSSCGKSA-N 2 2 273.405 3.166 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346331745 378546693 /nfs/dbraw/zinc/54/66/93/378546693.db2.gz OHMNGBBYDQKMKW-OFQRWUPVSA-N 2 2 292.492 3.412 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346331745 378546699 /nfs/dbraw/zinc/54/66/99/378546699.db2.gz OHMNGBBYDQKMKW-OFQRWUPVSA-N 2 2 292.492 3.412 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978354 378655825 /nfs/dbraw/zinc/65/58/25/378655825.db2.gz NYWPGNGCVCFELS-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978354 378655831 /nfs/dbraw/zinc/65/58/31/378655831.db2.gz NYWPGNGCVCFELS-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637978354 378655834 /nfs/dbraw/zinc/65/58/34/378655834.db2.gz NYWPGNGCVCFELS-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637978354 378655838 /nfs/dbraw/zinc/65/58/38/378655838.db2.gz NYWPGNGCVCFELS-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1-c1cccs1 ZINC000346646603 378660180 /nfs/dbraw/zinc/66/01/80/378660180.db2.gz OPUVZPOOPXGDAH-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1-c1cccs1 ZINC000346646603 378660189 /nfs/dbraw/zinc/66/01/89/378660189.db2.gz OPUVZPOOPXGDAH-UHFFFAOYSA-N 2 2 290.407 3.350 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000346616922 378647965 /nfs/dbraw/zinc/64/79/65/378647965.db2.gz XEHQTNQRLBYGEL-UXLLHSPISA-N 2 2 290.451 3.273 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638262124 378748670 /nfs/dbraw/zinc/74/86/70/378748670.db2.gz LXEMZCXSLUWVLT-KRWDZBQOSA-N 2 2 298.434 3.353 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000638112992 378703129 /nfs/dbraw/zinc/70/31/29/378703129.db2.gz PMIIDTZTWSCMCK-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000638112992 378703136 /nfs/dbraw/zinc/70/31/36/378703136.db2.gz PMIIDTZTWSCMCK-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114290 378704543 /nfs/dbraw/zinc/70/45/43/378704543.db2.gz VHRSSHCWFYRZCR-SWLSCSKDSA-N 2 2 297.393 3.181 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114290 378704544 /nfs/dbraw/zinc/70/45/44/378704544.db2.gz VHRSSHCWFYRZCR-SWLSCSKDSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114290 378704549 /nfs/dbraw/zinc/70/45/49/378704549.db2.gz VHRSSHCWFYRZCR-SWLSCSKDSA-N 2 2 297.393 3.181 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000638114290 378704554 /nfs/dbraw/zinc/70/45/54/378704554.db2.gz VHRSSHCWFYRZCR-SWLSCSKDSA-N 2 2 297.393 3.181 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173461 378723075 /nfs/dbraw/zinc/72/30/75/378723075.db2.gz XRKUSVWVMVPHNN-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173461 378723080 /nfs/dbraw/zinc/72/30/80/378723080.db2.gz XRKUSVWVMVPHNN-PBHICJAKSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1CCSCC1 ZINC000638308275 378765131 /nfs/dbraw/zinc/76/51/31/378765131.db2.gz UYFPAJQXCXJKEE-UHFFFAOYSA-N 2 2 289.448 3.078 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638358902 378778145 /nfs/dbraw/zinc/77/81/45/378778145.db2.gz MEZKGAJFFFWICJ-ZDUSSCGKSA-N 2 2 259.397 3.284 20 0 CGADLP Cc1ccsc1[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348074409 378779317 /nfs/dbraw/zinc/77/93/17/378779317.db2.gz LCJZEASDCWPRBK-HNNXBMFYSA-N 2 2 290.432 3.016 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000348099638 378792203 /nfs/dbraw/zinc/79/22/03/378792203.db2.gz CFYARGHTOZBFIG-DLBZAZTESA-N 2 2 283.419 3.252 20 0 CGADLP Cc1ccoc1C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000266191834 190239423 /nfs/dbraw/zinc/23/94/23/190239423.db2.gz ITAALWNDUQBFJL-UHFFFAOYSA-N 2 2 283.375 3.426 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346792987 218015500 /nfs/dbraw/zinc/01/55/00/218015500.db2.gz DWSNYCYNLREIHW-VBQJREDUSA-N 2 2 276.424 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346792987 218015502 /nfs/dbraw/zinc/01/55/02/218015502.db2.gz DWSNYCYNLREIHW-VBQJREDUSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cc(F)cc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000348137309 378808460 /nfs/dbraw/zinc/80/84/60/378808460.db2.gz CPPVWJPDXYAYSP-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP c1ccc(NCCCC[NH2+]CC2CCSCC2)[nH+]c1 ZINC000638518734 378823184 /nfs/dbraw/zinc/82/31/84/378823184.db2.gz NYNHCILBOWFPPB-UHFFFAOYSA-N 2 2 279.453 3.007 20 0 CGADLP C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638690319 378873290 /nfs/dbraw/zinc/87/32/90/378873290.db2.gz RKIYPFFGMOHURI-UMVBOHGHSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C[NH3+] ZINC000347011222 218091814 /nfs/dbraw/zinc/09/18/14/218091814.db2.gz UGUVOGCUAFSNFY-ABAIWWIYSA-N 2 2 276.355 3.131 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)[C@H]1C[NH3+] ZINC000347011222 218091816 /nfs/dbraw/zinc/09/18/16/218091816.db2.gz UGUVOGCUAFSNFY-ABAIWWIYSA-N 2 2 276.355 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000348333889 378914711 /nfs/dbraw/zinc/91/47/11/378914711.db2.gz CKFRAROMNQWWJZ-HUUCEWRRSA-N 2 2 298.377 3.463 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)c[nH+]1 ZINC000348523398 378975571 /nfs/dbraw/zinc/97/55/71/378975571.db2.gz DNBVMROOCWQKJY-QZTJIDSGSA-N 2 2 299.418 3.001 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000348437511 378955022 /nfs/dbraw/zinc/95/50/22/378955022.db2.gz NKLUNPNREVLHKR-SFHVURJKSA-N 2 2 290.451 3.196 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000348437511 378955027 /nfs/dbraw/zinc/95/50/27/378955027.db2.gz NKLUNPNREVLHKR-SFHVURJKSA-N 2 2 290.451 3.196 20 0 CGADLP C[C@@H]([NH2+]CC1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000639055670 378989488 /nfs/dbraw/zinc/98/94/88/378989488.db2.gz ZTVGVTQHOSWYOW-RHSMWYFYSA-N 2 2 292.492 3.411 20 0 CGADLP CCC[N@H+](Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000347151318 218139786 /nfs/dbraw/zinc/13/97/86/218139786.db2.gz BALSGENWRKGEAY-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP CCC[N@@H+](Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000347151318 218139787 /nfs/dbraw/zinc/13/97/87/218139787.db2.gz BALSGENWRKGEAY-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000347223195 218160906 /nfs/dbraw/zinc/16/09/06/218160906.db2.gz KKZPMJDDEPITEJ-UHFFFAOYSA-N 2 2 294.389 3.418 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000347242197 218166117 /nfs/dbraw/zinc/16/61/17/218166117.db2.gz DUQKADBMCVHHDR-UHFFFAOYSA-N 2 2 276.424 3.332 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347184618 218148704 /nfs/dbraw/zinc/14/87/04/218148704.db2.gz YDLJNEUFBQMKDP-SCVPAZLYSA-N 2 2 262.372 3.041 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347184618 218148706 /nfs/dbraw/zinc/14/87/06/218148706.db2.gz YDLJNEUFBQMKDP-SCVPAZLYSA-N 2 2 262.372 3.041 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccco1)CCC2 ZINC000370681949 379055685 /nfs/dbraw/zinc/05/56/85/379055685.db2.gz LHZVLYZQUQKSNT-UKRRQHHQSA-N 2 2 287.407 3.273 20 0 CGADLP CC[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C(C)C ZINC000348832358 379070962 /nfs/dbraw/zinc/07/09/62/379070962.db2.gz IJFGNTHKMGOZDY-AWEZNQCLSA-N 2 2 258.369 3.173 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCc3ccccc3C1)CCCC2 ZINC000639148372 379072069 /nfs/dbraw/zinc/07/20/69/379072069.db2.gz DITJZAFSVADVDK-OAHLLOKOSA-N 2 2 295.430 3.114 20 0 CGADLP C[C@H]1CCC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348833630 379073962 /nfs/dbraw/zinc/07/39/62/379073962.db2.gz NUIFJNKDUNMBCS-ZFWWWQNUSA-N 2 2 270.380 3.317 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639204884 379136372 /nfs/dbraw/zinc/13/63/72/379136372.db2.gz DRQSCGXLXXZNSG-YSVLISHTSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639204884 379136377 /nfs/dbraw/zinc/13/63/77/379136377.db2.gz DRQSCGXLXXZNSG-YSVLISHTSA-N 2 2 276.399 3.302 20 0 CGADLP CC(C)(C)c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)no1 ZINC000278769556 194146828 /nfs/dbraw/zinc/14/68/28/194146828.db2.gz YLVWXNHWYQKXGZ-UHFFFAOYSA-N 2 2 288.395 3.006 20 0 CGADLP Cc1cccn2c(C[NH2+]C3C(C)(C)C3(C)C)c[nH+]c12 ZINC000349152634 379172153 /nfs/dbraw/zinc/17/21/53/379172153.db2.gz QIJBHVFVLIWKJF-UHFFFAOYSA-N 2 2 257.381 3.167 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCCCC1 ZINC000568770177 322222307 /nfs/dbraw/zinc/22/23/07/322222307.db2.gz PZEJALSDKMAEOC-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000373214338 379241459 /nfs/dbraw/zinc/24/14/59/379241459.db2.gz DAEFQQRHDTYUJU-GOSISDBHSA-N 2 2 283.419 3.228 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000373214338 379241471 /nfs/dbraw/zinc/24/14/71/379241471.db2.gz DAEFQQRHDTYUJU-GOSISDBHSA-N 2 2 283.419 3.228 20 0 CGADLP Fc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000373491733 379287283 /nfs/dbraw/zinc/28/72/83/379287283.db2.gz XUPFLXNPCRNHLB-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP c1cn(CCCC2CC[NH+](Cc3cncs3)CC2)c[nH+]1 ZINC000349388464 379263009 /nfs/dbraw/zinc/26/30/09/379263009.db2.gz ZDAGRMFOCXXLGL-UHFFFAOYSA-N 2 2 290.436 3.032 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCCn1cc[nH+]c1 ZINC000349421760 379277684 /nfs/dbraw/zinc/27/76/84/379277684.db2.gz TZEMHIIURSFKSU-RQOWECAXSA-N 2 2 291.345 3.197 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCCn1cc[nH+]c1 ZINC000349421760 379277694 /nfs/dbraw/zinc/27/76/94/379277694.db2.gz TZEMHIIURSFKSU-RQOWECAXSA-N 2 2 291.345 3.197 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000349608787 379318540 /nfs/dbraw/zinc/31/85/40/379318540.db2.gz GXINDOZLWISLHB-AWEZNQCLSA-N 2 2 276.449 3.125 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000349608787 379318549 /nfs/dbraw/zinc/31/85/49/379318549.db2.gz GXINDOZLWISLHB-AWEZNQCLSA-N 2 2 276.449 3.125 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccncc2C)CC1 ZINC000639375740 379333103 /nfs/dbraw/zinc/33/31/03/379333103.db2.gz CETCMAYNJPRTHY-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP CCc1ccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000278296904 379339191 /nfs/dbraw/zinc/33/91/91/379339191.db2.gz CFPXXMFVELLFGB-WBVHZDCISA-N 2 2 292.492 3.194 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000639382260 379342253 /nfs/dbraw/zinc/34/22/53/379342253.db2.gz CVSDIUDZWBQICI-GFCCVEGCSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000639382261 379342641 /nfs/dbraw/zinc/34/26/41/379342641.db2.gz CVSDIUDZWBQICI-LBPRGKRZSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000266565708 190267495 /nfs/dbraw/zinc/26/74/95/190267495.db2.gz ZNEYMHRBUVBMQA-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000266565708 190267496 /nfs/dbraw/zinc/26/74/96/190267496.db2.gz ZNEYMHRBUVBMQA-OAHLLOKOSA-N 2 2 299.418 3.034 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000278911209 194209082 /nfs/dbraw/zinc/20/90/82/194209082.db2.gz JOFNIOUUEBPNOD-KRWDZBQOSA-N 2 2 282.387 3.305 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc(C)cs1 ZINC000347607187 218288105 /nfs/dbraw/zinc/28/81/05/218288105.db2.gz ACTOUOBOWXVHBI-KGLIPLIRSA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc(C)cs1 ZINC000347607187 218288107 /nfs/dbraw/zinc/28/81/07/218288107.db2.gz ACTOUOBOWXVHBI-KGLIPLIRSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCOCC23CCCC3)c(C)[nH+]1 ZINC000639552654 379467838 /nfs/dbraw/zinc/46/78/38/379467838.db2.gz FLJPLBFXHLZAKJ-UHFFFAOYSA-N 2 2 274.408 3.152 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCOCC23CCCC3)c(C)[nH+]1 ZINC000639552654 379467845 /nfs/dbraw/zinc/46/78/45/379467845.db2.gz FLJPLBFXHLZAKJ-UHFFFAOYSA-N 2 2 274.408 3.152 20 0 CGADLP Cc1ccc(C)c(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266806170 190281366 /nfs/dbraw/zinc/28/13/66/190281366.db2.gz ZZSVYCWIKCTHPK-UHFFFAOYSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000279812503 379523233 /nfs/dbraw/zinc/52/32/33/379523233.db2.gz FNNMSCCKGQYYJT-QFBILLFUSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000279812503 379523242 /nfs/dbraw/zinc/52/32/42/379523242.db2.gz FNNMSCCKGQYYJT-QFBILLFUSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC3(CCC3)OC[C@@H]2C)c(C)[nH+]1 ZINC000639800636 379591124 /nfs/dbraw/zinc/59/11/24/379591124.db2.gz LZZPJQBUORRHTL-AWEZNQCLSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c(C)[nH+]1 ZINC000639800636 379591132 /nfs/dbraw/zinc/59/11/32/379591132.db2.gz LZZPJQBUORRHTL-AWEZNQCLSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1C ZINC000376727239 379594788 /nfs/dbraw/zinc/59/47/88/379594788.db2.gz CMONVCGRDIVJHA-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946271 190292510 /nfs/dbraw/zinc/29/25/10/190292510.db2.gz SIPUHFFCBVLSKG-TZMCWYRMSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946271 190292511 /nfs/dbraw/zinc/29/25/11/190292511.db2.gz SIPUHFFCBVLSKG-TZMCWYRMSA-N 2 2 273.355 3.489 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2cnccc2C)[NH+](C)C)cc1 ZINC000279994923 379574092 /nfs/dbraw/zinc/57/40/92/379574092.db2.gz RJTKBMBVWDKCPC-SFHVURJKSA-N 2 2 283.419 3.091 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)oc1C ZINC000377120067 379634321 /nfs/dbraw/zinc/63/43/21/379634321.db2.gz MCYQUBWQGKFLGK-CYBMUJFWSA-N 2 2 287.407 3.323 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000640016195 379687639 /nfs/dbraw/zinc/68/76/39/379687639.db2.gz VPFGABDUJGONTF-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000377266437 379657969 /nfs/dbraw/zinc/65/79/69/379657969.db2.gz KDGDMHWLWBXRKK-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000377266437 379657974 /nfs/dbraw/zinc/65/79/74/379657974.db2.gz KDGDMHWLWBXRKK-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP C[C@H](c1ccccn1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982189 379672105 /nfs/dbraw/zinc/67/21/05/379672105.db2.gz IPIXXVQBPFXRJK-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280306362 379672760 /nfs/dbraw/zinc/67/27/60/379672760.db2.gz OMOSMHXUDAKQNL-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280306362 379672765 /nfs/dbraw/zinc/67/27/65/379672765.db2.gz OMOSMHXUDAKQNL-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000640101110 379721034 /nfs/dbraw/zinc/72/10/34/379721034.db2.gz RLPRTLLJSOTQSH-NXHRZFHOSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000640101110 379721036 /nfs/dbraw/zinc/72/10/36/379721036.db2.gz RLPRTLLJSOTQSH-NXHRZFHOSA-N 2 2 288.435 3.132 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000377755208 379733362 /nfs/dbraw/zinc/73/33/62/379733362.db2.gz CZZMAVAGFSDOBQ-GDBMZVCRSA-N 2 2 299.418 3.407 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000377755208 379733367 /nfs/dbraw/zinc/73/33/67/379733367.db2.gz CZZMAVAGFSDOBQ-GDBMZVCRSA-N 2 2 299.418 3.407 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377783738 379740624 /nfs/dbraw/zinc/74/06/24/379740624.db2.gz PFOSQKNCZKZBOJ-CVEARBPZSA-N 2 2 283.419 3.441 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377783738 379740629 /nfs/dbraw/zinc/74/06/29/379740629.db2.gz PFOSQKNCZKZBOJ-CVEARBPZSA-N 2 2 283.419 3.441 20 0 CGADLP CCC[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000570529465 322275848 /nfs/dbraw/zinc/27/58/48/322275848.db2.gz UHKQAICMCNJREG-GJZGRUSLSA-N 2 2 263.429 3.425 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457893 190332083 /nfs/dbraw/zinc/33/20/83/190332083.db2.gz UBAURVQPESDLPZ-CZUORRHYSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457893 190332084 /nfs/dbraw/zinc/33/20/84/190332084.db2.gz UBAURVQPESDLPZ-CZUORRHYSA-N 2 2 285.366 3.416 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)[nH]1 ZINC000267466658 190332300 /nfs/dbraw/zinc/33/23/00/190332300.db2.gz WMYBNOOPOWYYGT-QGZVFWFLSA-N 2 2 281.403 3.278 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)[nH]1 ZINC000267466658 190332301 /nfs/dbraw/zinc/33/23/01/190332301.db2.gz WMYBNOOPOWYYGT-QGZVFWFLSA-N 2 2 281.403 3.278 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000352487417 379834055 /nfs/dbraw/zinc/83/40/55/379834055.db2.gz DUMBMCDMYMMSLB-CQSZACIVSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000352487417 379834059 /nfs/dbraw/zinc/83/40/59/379834059.db2.gz DUMBMCDMYMMSLB-CQSZACIVSA-N 2 2 291.420 3.106 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277386 379896226 /nfs/dbraw/zinc/89/62/26/379896226.db2.gz STJIUEPUNZTGCF-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277386 379896229 /nfs/dbraw/zinc/89/62/29/379896229.db2.gz STJIUEPUNZTGCF-ZYHUDNBSSA-N 2 2 270.779 3.224 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000352802129 379970052 /nfs/dbraw/zinc/97/00/52/379970052.db2.gz LPDZQBDOZXLFEZ-BBRMVZONSA-N 2 2 287.432 3.022 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000352809012 379973566 /nfs/dbraw/zinc/97/35/66/379973566.db2.gz FFGGFNZCIAKEFZ-GHMZBOCLSA-N 2 2 270.467 3.042 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000352809012 379973574 /nfs/dbraw/zinc/97/35/74/379973574.db2.gz FFGGFNZCIAKEFZ-GHMZBOCLSA-N 2 2 270.467 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000399018857 379932480 /nfs/dbraw/zinc/93/24/80/379932480.db2.gz GBTPZENYQGYBCV-JTNHKYCSSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400402944 379949620 /nfs/dbraw/zinc/94/96/20/379949620.db2.gz QREXWMBJXKZXNO-JGVFFNPUSA-N 2 2 279.236 3.143 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000352904053 380029346 /nfs/dbraw/zinc/02/93/46/380029346.db2.gz RALJTMJFMKFUQQ-YCCFLXJFSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000352904053 380029347 /nfs/dbraw/zinc/02/93/47/380029347.db2.gz RALJTMJFMKFUQQ-YCCFLXJFSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283207971 380044754 /nfs/dbraw/zinc/04/47/54/380044754.db2.gz LWWFNNFCJSHROF-PVAVHDDUSA-N 2 2 269.392 3.055 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CCSCc1ccccc1 ZINC000279038664 194259178 /nfs/dbraw/zinc/25/91/78/194259178.db2.gz FTTGZZJLSPEBFD-UHFFFAOYSA-N 2 2 289.448 3.138 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CCSCc1ccccc1 ZINC000279038664 194259181 /nfs/dbraw/zinc/25/91/81/194259181.db2.gz FTTGZZJLSPEBFD-UHFFFAOYSA-N 2 2 289.448 3.138 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)CC2 ZINC000641781550 380096583 /nfs/dbraw/zinc/09/65/83/380096583.db2.gz VCCKESRHIUDBGI-AEFFLSMTSA-N 2 2 281.403 3.329 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nsc2c1 ZINC000641792180 380103637 /nfs/dbraw/zinc/10/36/37/380103637.db2.gz PTSXHITYNMTWCE-STQMWFEESA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nsc2c1 ZINC000641792180 380103639 /nfs/dbraw/zinc/10/36/39/380103639.db2.gz PTSXHITYNMTWCE-STQMWFEESA-N 2 2 287.432 3.013 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000641797402 380111223 /nfs/dbraw/zinc/11/12/23/380111223.db2.gz BVTQTTSBBLCUFJ-MRXNPFEDSA-N 2 2 289.448 3.273 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000641799879 380111576 /nfs/dbraw/zinc/11/15/76/380111576.db2.gz RXHBHHOGRGXSSJ-HNNXBMFYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cccc(F)c2)c[nH+]1 ZINC000353947137 380249290 /nfs/dbraw/zinc/24/92/90/380249290.db2.gz XLMRNWOGOJPDLS-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353946085 380249685 /nfs/dbraw/zinc/24/96/85/380249685.db2.gz DXVQVDSKUKSFEE-GUYCJALGSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353946085 380249689 /nfs/dbraw/zinc/24/96/89/380249689.db2.gz DXVQVDSKUKSFEE-GUYCJALGSA-N 2 2 290.476 3.122 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c[nH+]1 ZINC000414481601 380259417 /nfs/dbraw/zinc/25/94/17/380259417.db2.gz FGEJJXSPKNLQNR-MOPGFXCFSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c[nH+]1 ZINC000414481601 380259424 /nfs/dbraw/zinc/25/94/24/380259424.db2.gz FGEJJXSPKNLQNR-MOPGFXCFSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)c1cccnc1 ZINC000414559292 380319741 /nfs/dbraw/zinc/31/97/41/380319741.db2.gz ONQFHAAUGCNUIL-UHFFFAOYSA-N 2 2 283.419 3.285 20 0 CGADLP Clc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501558 380322987 /nfs/dbraw/zinc/32/29/87/380322987.db2.gz KPMVGUSVPATEQD-IUODEOHRSA-N 2 2 294.826 3.285 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502702 380326490 /nfs/dbraw/zinc/32/64/90/380326490.db2.gz OKUIGUFVCGHEJP-DYVFJYSZSA-N 2 2 283.419 3.277 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506883 380328446 /nfs/dbraw/zinc/32/84/46/380328446.db2.gz LNTQMLAMWMYICD-GFCCVEGCSA-N 2 2 272.392 3.398 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354017054 380280686 /nfs/dbraw/zinc/28/06/86/380280686.db2.gz GMKNKNICQYAROQ-XEZPLFJOSA-N 2 2 287.432 3.274 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)n1-c1ccccc1 ZINC000414509360 380285012 /nfs/dbraw/zinc/28/50/12/380285012.db2.gz CGXUQZBHHHPMRR-DZKIICNBSA-N 2 2 299.418 3.084 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](C)CC(F)(F)F)n2c1 ZINC000414536626 380306835 /nfs/dbraw/zinc/30/68/35/380306835.db2.gz ZXNGVAQSQVXAMK-NSHDSACASA-N 2 2 285.313 3.321 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354083957 380313920 /nfs/dbraw/zinc/31/39/20/380313920.db2.gz PGJRFDNYLBCHRO-OAHLLOKOSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354083957 380313928 /nfs/dbraw/zinc/31/39/28/380313928.db2.gz PGJRFDNYLBCHRO-OAHLLOKOSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000354083957 380313935 /nfs/dbraw/zinc/31/39/35/380313935.db2.gz PGJRFDNYLBCHRO-OAHLLOKOSA-N 2 2 276.424 3.006 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354083957 380313941 /nfs/dbraw/zinc/31/39/41/380313941.db2.gz PGJRFDNYLBCHRO-OAHLLOKOSA-N 2 2 276.424 3.006 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000414683613 380370434 /nfs/dbraw/zinc/37/04/34/380370434.db2.gz BRAMNKICVMECOW-HNNXBMFYSA-N 2 2 294.414 3.042 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2o1 ZINC000414697873 380377861 /nfs/dbraw/zinc/37/78/61/380377861.db2.gz CMVHNXZAZUZRTB-AWEZNQCLSA-N 2 2 260.381 3.238 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000414697873 380377864 /nfs/dbraw/zinc/37/78/64/380377864.db2.gz CMVHNXZAZUZRTB-AWEZNQCLSA-N 2 2 260.381 3.238 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2ccsc2)CC1 ZINC000414744293 380391041 /nfs/dbraw/zinc/39/10/41/380391041.db2.gz OIRXQHNPHFSBJF-UHFFFAOYSA-N 2 2 266.454 3.316 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000414656138 380354477 /nfs/dbraw/zinc/35/44/77/380354477.db2.gz MLNDWXLGLQEYNT-ZDUSSCGKSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1C(F)(F)F ZINC000414656138 380354480 /nfs/dbraw/zinc/35/44/80/380354480.db2.gz MLNDWXLGLQEYNT-ZDUSSCGKSA-N 2 2 286.341 3.327 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC000643537633 380354611 /nfs/dbraw/zinc/35/46/11/380354611.db2.gz NDZCCTYENTVEEM-YESZJQIVSA-N 2 2 276.399 3.208 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000643538906 380355554 /nfs/dbraw/zinc/35/55/54/380355554.db2.gz ZTHIBCWZWXLWJV-HNKHHVNMSA-N 2 2 296.817 3.266 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354180936 380356690 /nfs/dbraw/zinc/35/66/90/380356690.db2.gz KDXVDQKYODIJEW-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000354180936 380356696 /nfs/dbraw/zinc/35/66/96/380356696.db2.gz KDXVDQKYODIJEW-NVXWUHKLSA-N 3 2 289.467 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643545884 380357224 /nfs/dbraw/zinc/35/72/24/380357224.db2.gz DWSOIDHGZQTOKH-AAEUAGOBSA-N 2 2 280.362 3.290 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414665406 380360124 /nfs/dbraw/zinc/36/01/24/380360124.db2.gz DNCLJQMFYJNLFX-MRXNPFEDSA-N 2 2 275.440 3.387 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000414665406 380360130 /nfs/dbraw/zinc/36/01/30/380360130.db2.gz DNCLJQMFYJNLFX-MRXNPFEDSA-N 2 2 275.440 3.387 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000348087120 218451997 /nfs/dbraw/zinc/45/19/97/218451997.db2.gz OIWVNYQAKPPBAU-STQMWFEESA-N 2 2 257.381 3.274 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c[nH+]1 ZINC000354402341 380424913 /nfs/dbraw/zinc/42/49/13/380424913.db2.gz HNWISERUDWZNRC-ZCNNSNEGSA-N 2 2 292.426 3.498 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c[nH+]1 ZINC000414817672 380428562 /nfs/dbraw/zinc/42/85/62/380428562.db2.gz SRUUDGNCBZFIEO-OAHLLOKOSA-N 3 2 283.419 3.132 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414819785 380430809 /nfs/dbraw/zinc/43/08/09/380430809.db2.gz ZQYVMXTVYDLCBD-NSHDSACASA-N 2 2 295.477 3.479 20 0 CGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414820857 380431742 /nfs/dbraw/zinc/43/17/42/380431742.db2.gz BKSDCSPNKXMUSU-GFCCVEGCSA-N 2 2 292.732 3.200 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414820324 380432164 /nfs/dbraw/zinc/43/21/64/380432164.db2.gz CGDRLSQUQFNLSC-UHFFFAOYSA-N 2 2 278.396 3.253 20 0 CGADLP c1sc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1-c1ccccc1 ZINC000414822250 380432520 /nfs/dbraw/zinc/43/25/20/380432520.db2.gz DLEBWCSXSVIODQ-OAHLLOKOSA-N 2 2 272.417 3.257 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825916 380435989 /nfs/dbraw/zinc/43/59/89/380435989.db2.gz DHYRNIVVGMPMGC-KSSFIOAISA-N 2 2 286.394 3.436 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414807416 380420387 /nfs/dbraw/zinc/42/03/87/380420387.db2.gz CTNUYRRBPOPARU-LLVKDONJSA-N 2 2 258.768 3.086 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)ccc2n1 ZINC000414921906 380490327 /nfs/dbraw/zinc/49/03/27/380490327.db2.gz CARNCYJQKPRPHG-SFHVURJKSA-N 2 2 297.446 3.411 20 0 CGADLP CC[C@H](CSC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354575731 380491891 /nfs/dbraw/zinc/49/18/91/380491891.db2.gz URKGGXXPKGMWAU-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414934965 380495645 /nfs/dbraw/zinc/49/56/45/380495645.db2.gz UBDCNWKQYWDQPX-BLLLJJGKSA-N 2 2 288.366 3.173 20 0 CGADLP COC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000354666407 380520176 /nfs/dbraw/zinc/52/01/76/380520176.db2.gz QFIBYOFFTKWJAX-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP CC(C)c1ncc(C[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000414864029 380463011 /nfs/dbraw/zinc/46/30/11/380463011.db2.gz YOZDRWIIMQHUGV-UHFFFAOYSA-N 2 2 281.469 3.408 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[NH+](C(C)C)C(C)C)c[nH+]1 ZINC000354507662 380463734 /nfs/dbraw/zinc/46/37/34/380463734.db2.gz IXJVAIGZLFGXGF-UHFFFAOYSA-N 3 2 291.483 3.421 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOC[C@@H]2CC2CCC2)c[nH+]1 ZINC000354726945 380540508 /nfs/dbraw/zinc/54/05/08/380540508.db2.gz KDIZPZVLDRTITH-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOC[C@@H]2CC2CCC2)c[nH+]1 ZINC000354726945 380540514 /nfs/dbraw/zinc/54/05/14/380540514.db2.gz KDIZPZVLDRTITH-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)n1C ZINC000644901132 380543275 /nfs/dbraw/zinc/54/32/75/380543275.db2.gz SDVWYFXNWJGVLY-INIZCTEOSA-N 2 2 298.434 3.069 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)n1C ZINC000644901132 380543283 /nfs/dbraw/zinc/54/32/83/380543283.db2.gz SDVWYFXNWJGVLY-INIZCTEOSA-N 2 2 298.434 3.069 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCc3c[nH+]c(C)cc3C)c2c1C ZINC000645254613 380634403 /nfs/dbraw/zinc/63/44/03/380634403.db2.gz MFSNUKWWVSIJKN-UHFFFAOYSA-N 2 2 281.363 3.199 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302134 380587774 /nfs/dbraw/zinc/58/77/74/380587774.db2.gz CAZLCELAFAXCFT-HUHANWACSA-N 2 2 290.476 3.312 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302134 380587782 /nfs/dbraw/zinc/58/77/82/380587782.db2.gz CAZLCELAFAXCFT-HUHANWACSA-N 2 2 290.476 3.312 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161405 380600048 /nfs/dbraw/zinc/60/00/48/380600048.db2.gz VVTAYKBNABPOET-IUODEOHRSA-N 2 2 266.816 3.078 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000645161405 380600054 /nfs/dbraw/zinc/60/00/54/380600054.db2.gz VVTAYKBNABPOET-IUODEOHRSA-N 2 2 266.816 3.078 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000417350938 380603479 /nfs/dbraw/zinc/60/34/79/380603479.db2.gz BICUFMMOQQHGLO-OAHLLOKOSA-N 2 2 295.430 3.493 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2([NH+](C)C)CC2)C(C)C)cc1 ZINC000417356695 380606082 /nfs/dbraw/zinc/60/60/82/380606082.db2.gz PVFMZMGFXDWLND-MRXNPFEDSA-N 2 2 276.424 3.076 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171388 380610222 /nfs/dbraw/zinc/61/02/22/380610222.db2.gz WWROLDDNERRLTG-DZGCQCFKSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171388 380610224 /nfs/dbraw/zinc/61/02/24/380610224.db2.gz WWROLDDNERRLTG-DZGCQCFKSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1cnc(CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837173 380746815 /nfs/dbraw/zinc/74/68/15/380746815.db2.gz JCLHFJXFKOYZJK-QAPCUYQASA-N 2 2 298.434 3.021 20 0 CGADLP Cc1cnc(CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837173 380746820 /nfs/dbraw/zinc/74/68/20/380746820.db2.gz JCLHFJXFKOYZJK-QAPCUYQASA-N 2 2 298.434 3.021 20 0 CGADLP Cc1cnc(CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837171 380747249 /nfs/dbraw/zinc/74/72/49/380747249.db2.gz JCLHFJXFKOYZJK-CRAIPNDOSA-N 2 2 298.434 3.021 20 0 CGADLP Cc1cnc(CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837171 380747254 /nfs/dbraw/zinc/74/72/54/380747254.db2.gz JCLHFJXFKOYZJK-CRAIPNDOSA-N 2 2 298.434 3.021 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096264 380833241 /nfs/dbraw/zinc/83/32/41/380833241.db2.gz DWPNZERUGIBPKL-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096264 380833248 /nfs/dbraw/zinc/83/32/48/380833248.db2.gz DWPNZERUGIBPKL-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096264 380833256 /nfs/dbraw/zinc/83/32/56/380833256.db2.gz DWPNZERUGIBPKL-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096264 380833260 /nfs/dbraw/zinc/83/32/60/380833260.db2.gz DWPNZERUGIBPKL-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)s1 ZINC000334760406 207030089 /nfs/dbraw/zinc/03/00/89/207030089.db2.gz DLVNUWTXSPNJLE-BDAKNGLRSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)s1 ZINC000334760406 207030092 /nfs/dbraw/zinc/03/00/92/207030092.db2.gz DLVNUWTXSPNJLE-BDAKNGLRSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000357310018 381098634 /nfs/dbraw/zinc/09/86/34/381098634.db2.gz FNRLDNSUIJQMMN-NSHDSACASA-N 2 2 270.311 3.071 20 0 CGADLP CC(C)(C[NH2+]Cc1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000360153584 381461179 /nfs/dbraw/zinc/46/11/79/381461179.db2.gz JNDNKBSHCMLUQP-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP CCCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000361125495 381652176 /nfs/dbraw/zinc/65/21/76/381652176.db2.gz JPZMZLPTJWYART-JCGIZDLHSA-N 2 2 290.451 3.466 20 0 CGADLP CCCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000361125495 381652186 /nfs/dbraw/zinc/65/21/86/381652186.db2.gz JPZMZLPTJWYART-JCGIZDLHSA-N 2 2 290.451 3.466 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000361347137 381710953 /nfs/dbraw/zinc/71/09/53/381710953.db2.gz SJIIZZGZDGEQFS-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000361347137 381710960 /nfs/dbraw/zinc/71/09/60/381710960.db2.gz SJIIZZGZDGEQFS-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481542 381765988 /nfs/dbraw/zinc/76/59/88/381765988.db2.gz OEQNHVMENYHYFR-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1(C)CC1 ZINC000361481542 381765997 /nfs/dbraw/zinc/76/59/97/381765997.db2.gz OEQNHVMENYHYFR-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361496934 381774486 /nfs/dbraw/zinc/77/44/86/381774486.db2.gz NYEWPXPZHNALSN-RDJZCZTQSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361496934 381774493 /nfs/dbraw/zinc/77/44/93/381774493.db2.gz NYEWPXPZHNALSN-RDJZCZTQSA-N 2 2 260.425 3.285 20 0 CGADLP c1ccc(NCCC[NH2+]CCC2CCCCC2)[nH+]c1 ZINC000361594763 381824508 /nfs/dbraw/zinc/82/45/08/381824508.db2.gz QAJKNKKFBWUZTE-UHFFFAOYSA-N 2 2 261.413 3.444 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000228584680 542298329 /nfs/dbraw/zinc/29/83/29/542298329.db2.gz YSKXFNCOCQJRGG-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000228584680 542298333 /nfs/dbraw/zinc/29/83/33/542298333.db2.gz YSKXFNCOCQJRGG-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])ccc2n1 ZINC000228688841 542299132 /nfs/dbraw/zinc/29/91/32/542299132.db2.gz FOAYLLNRTYSYBH-SCLBCKFNSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])ccc2n1 ZINC000228688841 542299136 /nfs/dbraw/zinc/29/91/36/542299136.db2.gz FOAYLLNRTYSYBH-SCLBCKFNSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000245940989 542324553 /nfs/dbraw/zinc/32/45/53/542324553.db2.gz JXFKBOZRDAWMAZ-JKIFEVAISA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000245940989 542324557 /nfs/dbraw/zinc/32/45/57/542324557.db2.gz JXFKBOZRDAWMAZ-JKIFEVAISA-N 2 2 298.434 3.032 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131451 382367222 /nfs/dbraw/zinc/36/72/22/382367222.db2.gz AGBUSTUXMVDJJG-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131451 382367226 /nfs/dbraw/zinc/36/72/26/382367226.db2.gz AGBUSTUXMVDJJG-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131451 382367229 /nfs/dbraw/zinc/36/72/29/382367229.db2.gz AGBUSTUXMVDJJG-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131451 382367232 /nfs/dbraw/zinc/36/72/32/382367232.db2.gz AGBUSTUXMVDJJG-CRAIPNDOSA-N 2 2 283.419 3.084 20 0 CGADLP CSC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCC1 ZINC000368223455 382368878 /nfs/dbraw/zinc/36/88/78/382368878.db2.gz AIGLHZKFEMKAMH-CABCVRRESA-N 2 2 282.497 3.219 20 0 CGADLP CSC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)CCC1 ZINC000368223455 382368883 /nfs/dbraw/zinc/36/88/83/382368883.db2.gz AIGLHZKFEMKAMH-CABCVRRESA-N 2 2 282.497 3.219 20 0 CGADLP CSC1(C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC1 ZINC000368223455 382368886 /nfs/dbraw/zinc/36/88/86/382368886.db2.gz AIGLHZKFEMKAMH-CABCVRRESA-N 2 2 282.497 3.219 20 0 CGADLP CSC1(C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC1 ZINC000368223455 382368891 /nfs/dbraw/zinc/36/88/91/382368891.db2.gz AIGLHZKFEMKAMH-CABCVRRESA-N 2 2 282.497 3.219 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368690077 382379120 /nfs/dbraw/zinc/37/91/20/382379120.db2.gz WHZDBDKZOPHOGR-RDBSUJKOSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368690077 382379128 /nfs/dbraw/zinc/37/91/28/382379128.db2.gz WHZDBDKZOPHOGR-RDBSUJKOSA-N 2 2 261.413 3.071 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061496 382413281 /nfs/dbraw/zinc/41/32/81/382413281.db2.gz GTRPXFLULQDJDD-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061496 382413282 /nfs/dbraw/zinc/41/32/82/382413282.db2.gz GTRPXFLULQDJDD-KRWDZBQOSA-N 2 2 283.419 3.362 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251915146 542348224 /nfs/dbraw/zinc/34/82/24/542348224.db2.gz YAHDCUGWGQNDPG-JTNHKYCSSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251915146 542348228 /nfs/dbraw/zinc/34/82/28/542348228.db2.gz YAHDCUGWGQNDPG-JTNHKYCSSA-N 2 2 268.351 3.085 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251166247 542345811 /nfs/dbraw/zinc/34/58/11/542345811.db2.gz OKCMJUNWFIRTJZ-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251166247 542345814 /nfs/dbraw/zinc/34/58/14/542345814.db2.gz OKCMJUNWFIRTJZ-SJORKVTESA-N 2 2 288.435 3.110 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423433936 532993364 /nfs/dbraw/zinc/99/33/64/532993364.db2.gz COSZQOFTVSQMCH-NEPJUHHUSA-N 2 2 290.357 3.380 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423396499 533000477 /nfs/dbraw/zinc/00/04/77/533000477.db2.gz RRILQYRNBPKTPZ-QAPCUYQASA-N 2 2 268.404 3.282 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747146 220302617 /nfs/dbraw/zinc/30/26/17/220302617.db2.gz OFVSPFKXWJYBOC-ZIAGYGMSSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747146 220302618 /nfs/dbraw/zinc/30/26/18/220302618.db2.gz OFVSPFKXWJYBOC-ZIAGYGMSSA-N 2 2 255.365 3.103 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755951 220308328 /nfs/dbraw/zinc/30/83/28/220308328.db2.gz UDIMAUCWBWGXLT-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755951 220308332 /nfs/dbraw/zinc/30/83/32/220308332.db2.gz UDIMAUCWBWGXLT-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755951 220308337 /nfs/dbraw/zinc/30/83/37/220308337.db2.gz UDIMAUCWBWGXLT-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000353755951 220308339 /nfs/dbraw/zinc/30/83/39/220308339.db2.gz UDIMAUCWBWGXLT-OCCSQVGLSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1cccc(CCNc2cc(C)[nH+]c(C3CC3)n2)[nH+]1 ZINC000281356856 542383441 /nfs/dbraw/zinc/38/34/41/542383441.db2.gz CVPIRLPTXGFLSS-UHFFFAOYSA-N 2 2 268.364 3.020 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000337401099 285148515 /nfs/dbraw/zinc/14/85/15/285148515.db2.gz PPPQPXAYGUUSPB-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000289154476 197248801 /nfs/dbraw/zinc/24/88/01/197248801.db2.gz QLWKHUOTOPNZCR-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000289154476 197248803 /nfs/dbraw/zinc/24/88/03/197248803.db2.gz QLWKHUOTOPNZCR-SFHVURJKSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000289065312 197224971 /nfs/dbraw/zinc/22/49/71/197224971.db2.gz CETGIZLCUGJJJM-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000289065312 197224972 /nfs/dbraw/zinc/22/49/72/197224972.db2.gz CETGIZLCUGJJJM-KRWDZBQOSA-N 3 2 289.467 3.033 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000424263755 533114346 /nfs/dbraw/zinc/11/43/46/533114346.db2.gz GFFRLUAWPSJVEX-VXGBXAGGSA-N 2 2 284.831 3.339 20 0 CGADLP Cc1occc1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289023758 197216822 /nfs/dbraw/zinc/21/68/22/197216822.db2.gz GJCAIIVXZYYVSF-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1occc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289023758 197216823 /nfs/dbraw/zinc/21/68/23/197216823.db2.gz GJCAIIVXZYYVSF-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000288773625 197162846 /nfs/dbraw/zinc/16/28/46/197162846.db2.gz JVICSTIPCVKUER-HOTGVXAUSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000288773625 197162847 /nfs/dbraw/zinc/16/28/47/197162847.db2.gz JVICSTIPCVKUER-HOTGVXAUSA-N 2 2 296.842 3.101 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353243024 285200304 /nfs/dbraw/zinc/20/03/04/285200304.db2.gz KGMTZUGTMHKQJS-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000353243024 285200306 /nfs/dbraw/zinc/20/03/06/285200306.db2.gz KGMTZUGTMHKQJS-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(O)c1 ZINC000288547105 197109869 /nfs/dbraw/zinc/10/98/69/197109869.db2.gz LFANGQARMUTCCO-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(O)c1 ZINC000288547105 197109871 /nfs/dbraw/zinc/10/98/71/197109871.db2.gz LFANGQARMUTCCO-OAHLLOKOSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288440275 197078995 /nfs/dbraw/zinc/07/89/95/197078995.db2.gz LUXOQUHAGPEJDR-KXBFYZLASA-N 2 2 296.414 3.145 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000288440275 197078997 /nfs/dbraw/zinc/07/89/97/197078997.db2.gz LUXOQUHAGPEJDR-KXBFYZLASA-N 2 2 296.414 3.145 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCCO2 ZINC000423178588 291904643 /nfs/dbraw/zinc/90/46/43/291904643.db2.gz CBKNVZFAWZEJIB-SWLSCSKDSA-N 2 2 294.826 3.204 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000424350840 533168623 /nfs/dbraw/zinc/16/86/23/533168623.db2.gz OUNUYMSSGWHNBP-NEPJUHHUSA-N 2 2 284.831 3.197 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414878156 533182856 /nfs/dbraw/zinc/18/28/56/533182856.db2.gz NWIROPFITPFAMU-UHFFFAOYSA-N 2 2 296.414 3.333 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)s1 ZINC000322644086 542440913 /nfs/dbraw/zinc/44/09/13/542440913.db2.gz YXQGTFSUPJIMBH-RTLLCXCWSA-N 2 2 279.453 3.036 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000322644086 542440915 /nfs/dbraw/zinc/44/09/15/542440915.db2.gz YXQGTFSUPJIMBH-RTLLCXCWSA-N 2 2 279.453 3.036 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000322565940 542441041 /nfs/dbraw/zinc/44/10/41/542441041.db2.gz DTNRWIUHOKDWTJ-NOTZBRRKSA-N 2 2 274.408 3.118 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000322565940 542441046 /nfs/dbraw/zinc/44/10/46/542441046.db2.gz DTNRWIUHOKDWTJ-NOTZBRRKSA-N 2 2 274.408 3.118 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)s1 ZINC000322644087 542440158 /nfs/dbraw/zinc/44/01/58/542440158.db2.gz YXQGTFSUPJIMBH-WVWMTSEUSA-N 2 2 279.453 3.036 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)s1 ZINC000322644087 542440162 /nfs/dbraw/zinc/44/01/62/542440162.db2.gz YXQGTFSUPJIMBH-WVWMTSEUSA-N 2 2 279.453 3.036 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000343989864 542503539 /nfs/dbraw/zinc/50/35/39/542503539.db2.gz POYFKTYPSWFFAX-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000343989864 542503544 /nfs/dbraw/zinc/50/35/44/542503544.db2.gz POYFKTYPSWFFAX-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000348103375 542514766 /nfs/dbraw/zinc/51/47/66/542514766.db2.gz PARKJQBHXGBLRC-IAGOWNOFSA-N 2 2 267.376 3.151 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)ccc2c1 ZINC000423360865 533337468 /nfs/dbraw/zinc/33/74/68/533337468.db2.gz LRUKNXBMGLWVAH-CKFHNAJUSA-N 2 2 298.430 3.497 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423232018 533412062 /nfs/dbraw/zinc/41/20/62/533412062.db2.gz BSVWWUFMTAPKAD-RHSMWYFYSA-N 2 2 284.403 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000423241310 533412230 /nfs/dbraw/zinc/41/22/30/533412230.db2.gz LHVRNLBQGZTVJL-MLGOLLRUSA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](C)c1nc2ccccc2s1 ZINC000423357516 533521834 /nfs/dbraw/zinc/52/18/34/533521834.db2.gz MFSARDJXZZVOOK-JHJVBQTASA-N 2 2 289.448 3.130 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1Br ZINC000423396486 533525467 /nfs/dbraw/zinc/52/54/67/533525467.db2.gz UFRJYRYXIGRYNH-IJLUTSLNSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000368105984 533527743 /nfs/dbraw/zinc/52/77/43/533527743.db2.gz ZIDLTGXXXYQXOT-DGCLKSJQSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccccc2o1 ZINC000368105984 533527747 /nfs/dbraw/zinc/52/77/47/533527747.db2.gz ZIDLTGXXXYQXOT-DGCLKSJQSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccn(C)n1 ZINC000414073173 533501404 /nfs/dbraw/zinc/50/14/04/533501404.db2.gz VSTRXOWBLDQKPV-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423568541 533517868 /nfs/dbraw/zinc/51/78/68/533517868.db2.gz VNCMEDOTSLXPDB-NXEZZACHSA-N 2 2 258.818 3.194 20 0 CGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751011 533545424 /nfs/dbraw/zinc/54/54/24/533545424.db2.gz ZNLQLGDHXNGKSZ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751011 533545430 /nfs/dbraw/zinc/54/54/30/533545430.db2.gz ZNLQLGDHXNGKSZ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751011 533545434 /nfs/dbraw/zinc/54/54/34/533545434.db2.gz ZNLQLGDHXNGKSZ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000353751011 533545437 /nfs/dbraw/zinc/54/54/37/533545437.db2.gz ZNLQLGDHXNGKSZ-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000385527787 542601965 /nfs/dbraw/zinc/60/19/65/542601965.db2.gz QRLRWNMJGJOCKX-JSGCOSHPSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000385527787 542601967 /nfs/dbraw/zinc/60/19/67/542601967.db2.gz QRLRWNMJGJOCKX-JSGCOSHPSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389211388 542606545 /nfs/dbraw/zinc/60/65/45/542606545.db2.gz BUMQFJCAQHAGLG-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389211388 542606549 /nfs/dbraw/zinc/60/65/49/542606549.db2.gz BUMQFJCAQHAGLG-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000389227766 542607076 /nfs/dbraw/zinc/60/70/76/542607076.db2.gz HVJPCQJYSKEGFV-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000389227766 542607081 /nfs/dbraw/zinc/60/70/81/542607081.db2.gz HVJPCQJYSKEGFV-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389355711 542608572 /nfs/dbraw/zinc/60/85/72/542608572.db2.gz LXIOHLDCMLFXSQ-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389355711 542608575 /nfs/dbraw/zinc/60/85/75/542608575.db2.gz LXIOHLDCMLFXSQ-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292244 542608638 /nfs/dbraw/zinc/60/86/38/542608638.db2.gz XVJTYXLHVFDAGJ-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292244 542608641 /nfs/dbraw/zinc/60/86/41/542608641.db2.gz XVJTYXLHVFDAGJ-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389276620 542608717 /nfs/dbraw/zinc/60/87/17/542608717.db2.gz SOGVFLVTTYBPFS-ARWYELJZSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000389276620 542608718 /nfs/dbraw/zinc/60/87/18/542608718.db2.gz SOGVFLVTTYBPFS-ARWYELJZSA-N 2 2 276.399 3.146 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C)cs1 ZINC000191515354 130247996 /nfs/dbraw/zinc/24/79/96/130247996.db2.gz SDBCEETVTRGVMD-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C)cs1 ZINC000191515354 130247998 /nfs/dbraw/zinc/24/79/98/130247998.db2.gz SDBCEETVTRGVMD-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000361763197 392316516 /nfs/dbraw/zinc/31/65/16/392316516.db2.gz DIYJHJMUVLOYHH-DOTOQJQBSA-N 2 2 299.418 3.085 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000361767214 392319017 /nfs/dbraw/zinc/31/90/17/392319017.db2.gz VYJVPWFPIONOKM-GOSISDBHSA-N 2 2 290.451 3.012 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000361767214 392319026 /nfs/dbraw/zinc/31/90/26/392319026.db2.gz VYJVPWFPIONOKM-GOSISDBHSA-N 2 2 290.451 3.012 20 0 CGADLP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691692 392296375 /nfs/dbraw/zinc/29/63/75/392296375.db2.gz GFJNKSXJDBTXGG-WBVHZDCISA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361691692 392296380 /nfs/dbraw/zinc/29/63/80/392296380.db2.gz GFJNKSXJDBTXGG-WBVHZDCISA-N 2 2 299.418 3.180 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107775397 392329486 /nfs/dbraw/zinc/32/94/86/392329486.db2.gz FEFIHCWYAQPSHQ-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107775397 392329490 /nfs/dbraw/zinc/32/94/90/392329490.db2.gz FEFIHCWYAQPSHQ-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP CO[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@H]1C ZINC000361843185 392342136 /nfs/dbraw/zinc/34/21/36/392342136.db2.gz PAKKOFSCJTVYQL-RDTXWAMCSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@H]1C ZINC000361843185 392342139 /nfs/dbraw/zinc/34/21/39/392342139.db2.gz PAKKOFSCJTVYQL-RDTXWAMCSA-N 2 2 299.418 3.038 20 0 CGADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000361927485 392364740 /nfs/dbraw/zinc/36/47/40/392364740.db2.gz MXNUNECDWRKZID-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000252392759 131133423 /nfs/dbraw/zinc/13/34/23/131133423.db2.gz WVLKJIKXFYASMV-HWWDLCQESA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)c1[nH]cc[nH+]1 ZINC000453310370 542680393 /nfs/dbraw/zinc/68/03/93/542680393.db2.gz ZCOWYUULPUPRJV-OAHLLOKOSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1[nH]cc[nH+]1 ZINC000453310370 542680398 /nfs/dbraw/zinc/68/03/98/542680398.db2.gz ZCOWYUULPUPRJV-OAHLLOKOSA-N 2 2 298.434 3.115 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CC2 ZINC000361969805 392379582 /nfs/dbraw/zinc/37/95/82/392379582.db2.gz COUIWDAXMFRVLE-IAGOWNOFSA-N 2 2 290.476 3.009 20 0 CGADLP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362026508 392391315 /nfs/dbraw/zinc/39/13/15/392391315.db2.gz MYAJPUQPRARDEK-AEFFLSMTSA-N 2 2 299.418 3.171 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000289326901 392420978 /nfs/dbraw/zinc/42/09/78/392420978.db2.gz UISQOLPEXVWEFS-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000289326901 392420982 /nfs/dbraw/zinc/42/09/82/392420982.db2.gz UISQOLPEXVWEFS-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP CC[N@H+](CC[NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000123126373 392426992 /nfs/dbraw/zinc/42/69/92/392426992.db2.gz HLGQNTLWMNXWQH-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000123126373 392426999 /nfs/dbraw/zinc/42/69/99/392426999.db2.gz HLGQNTLWMNXWQH-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000365087755 392442582 /nfs/dbraw/zinc/44/25/82/392442582.db2.gz YEETVBJGUZDZSK-AEFFLSMTSA-N 2 2 287.451 3.238 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000365087755 392442586 /nfs/dbraw/zinc/44/25/86/392442586.db2.gz YEETVBJGUZDZSK-AEFFLSMTSA-N 2 2 287.451 3.238 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000127449171 392447296 /nfs/dbraw/zinc/44/72/96/392447296.db2.gz BMDVRCFVIMTLAM-BZUAXINKSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C[N@H+]1C1CC1 ZINC000127449171 392447298 /nfs/dbraw/zinc/44/72/98/392447298.db2.gz BMDVRCFVIMTLAM-BZUAXINKSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000152004141 392491455 /nfs/dbraw/zinc/49/14/55/392491455.db2.gz OAKKJEHPMXCIIT-YJBOKZPZSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cncs1 ZINC000152101755 392496861 /nfs/dbraw/zinc/49/68/61/392496861.db2.gz COYIQCRESXKBAL-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cncs1 ZINC000152232941 392500497 /nfs/dbraw/zinc/50/04/97/392500497.db2.gz ZQWBUXPAMQCNRT-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CCCc1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158728512 392574119 /nfs/dbraw/zinc/57/41/19/392574119.db2.gz UEQVBIODYATMGX-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158728512 392574125 /nfs/dbraw/zinc/57/41/25/392574125.db2.gz UEQVBIODYATMGX-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158728512 392574131 /nfs/dbraw/zinc/57/41/31/392574131.db2.gz UEQVBIODYATMGX-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158728512 392574137 /nfs/dbraw/zinc/57/41/37/392574137.db2.gz UEQVBIODYATMGX-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163199765 392602535 /nfs/dbraw/zinc/60/25/35/392602535.db2.gz YDDJSVKXXNJYEN-NSHDSACASA-N 2 2 254.340 3.039 20 0 CGADLP Cc1cccc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302242363 392613395 /nfs/dbraw/zinc/61/33/95/392613395.db2.gz PAHQOCPTSFISQX-GUTXKFCHSA-N 2 2 261.413 3.168 20 0 CGADLP Cc1cccc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000302242363 392613397 /nfs/dbraw/zinc/61/33/97/392613397.db2.gz PAHQOCPTSFISQX-GUTXKFCHSA-N 2 2 261.413 3.168 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373879562 392665775 /nfs/dbraw/zinc/66/57/75/392665775.db2.gz COPICYOFAUCFGO-ZFWWWQNUSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333504 392682010 /nfs/dbraw/zinc/68/20/10/392682010.db2.gz SVJIHAITJJSAFQ-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333504 392682016 /nfs/dbraw/zinc/68/20/16/392682016.db2.gz SVJIHAITJJSAFQ-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)co1 ZINC000372563332 392619684 /nfs/dbraw/zinc/61/96/84/392619684.db2.gz KPXKCCHHAZOGSH-UHFFFAOYSA-N 2 2 276.424 3.414 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000173352332 392625272 /nfs/dbraw/zinc/62/52/72/392625272.db2.gz GDKVDIXAYBXBRM-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000173352332 392625274 /nfs/dbraw/zinc/62/52/74/392625274.db2.gz GDKVDIXAYBXBRM-HUUCEWRRSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)COC)c1ccc(Cl)cc1 ZINC000506633309 392728630 /nfs/dbraw/zinc/72/86/30/392728630.db2.gz OVMUOAAYPKDQHF-XJKSGUPXSA-N 2 2 298.858 3.347 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)COC)c1ccc(Cl)cc1 ZINC000506633309 392728636 /nfs/dbraw/zinc/72/86/36/392728636.db2.gz OVMUOAAYPKDQHF-XJKSGUPXSA-N 2 2 298.858 3.347 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553655 392767654 /nfs/dbraw/zinc/76/76/54/392767654.db2.gz GJPYHYMZQZKOMA-INIZCTEOSA-N 2 2 258.409 3.013 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647497741 392740769 /nfs/dbraw/zinc/74/07/69/392740769.db2.gz SYIZRRAPZNYAQE-SWLSCSKDSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647497741 392740770 /nfs/dbraw/zinc/74/07/70/392740770.db2.gz SYIZRRAPZNYAQE-SWLSCSKDSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C3CC3)C3CCC3)cn21 ZINC000647363639 392707824 /nfs/dbraw/zinc/70/78/24/392707824.db2.gz FPUPEBAUDYXFER-GOSISDBHSA-N 2 2 283.419 3.354 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737295 392713624 /nfs/dbraw/zinc/71/36/24/392713624.db2.gz DUTSVPRKNANJIO-AHIWAGSCSA-N 2 2 276.399 3.492 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553985 392766878 /nfs/dbraw/zinc/76/68/78/392766878.db2.gz ONJHLQLOQKYTQG-AWEZNQCLSA-N 2 2 264.800 3.104 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000647793717 392798725 /nfs/dbraw/zinc/79/87/25/392798725.db2.gz GARDFIOCXKUUID-RVMXOQNASA-N 2 2 292.389 3.331 20 0 CGADLP c1cn(CC[N@@H+]2CCCC3(CCCCC3)CC2)c[nH+]1 ZINC000190319563 392814284 /nfs/dbraw/zinc/81/42/84/392814284.db2.gz KGDRHNKSKYAWEB-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP c1cn(CC[N@H+]2CCCC3(CCCCC3)CC2)c[nH+]1 ZINC000190319563 392814286 /nfs/dbraw/zinc/81/42/86/392814286.db2.gz KGDRHNKSKYAWEB-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647878526 392820375 /nfs/dbraw/zinc/82/03/75/392820375.db2.gz OJWBVIXVVZUWCM-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647878526 392820383 /nfs/dbraw/zinc/82/03/83/392820383.db2.gz OJWBVIXVVZUWCM-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP Fc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879586 392822978 /nfs/dbraw/zinc/82/29/78/392822978.db2.gz VAJFZVAOPNSARG-KRWDZBQOSA-N 2 2 298.405 3.437 20 0 CGADLP Fc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879586 392822984 /nfs/dbraw/zinc/82/29/84/392822984.db2.gz VAJFZVAOPNSARG-KRWDZBQOSA-N 2 2 298.405 3.437 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000390520010 392926134 /nfs/dbraw/zinc/92/61/34/392926134.db2.gz GFZNESDJUKILLM-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000390520010 392926136 /nfs/dbraw/zinc/92/61/36/392926136.db2.gz GFZNESDJUKILLM-ANQUJSFKSA-N 2 2 260.425 3.141 20 0 CGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(C)c1 ZINC000526981118 542741545 /nfs/dbraw/zinc/74/15/45/542741545.db2.gz DWXLTUSMHPSVPS-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535692747 542750296 /nfs/dbraw/zinc/75/02/96/542750296.db2.gz QOXKZFPGJASZGM-MRXNPFEDSA-N 2 2 292.386 3.172 20 0 CGADLP Cn1c2ccccc2[nH+]c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535692747 542750302 /nfs/dbraw/zinc/75/03/02/542750302.db2.gz QOXKZFPGJASZGM-MRXNPFEDSA-N 2 2 292.386 3.172 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000531939203 542746974 /nfs/dbraw/zinc/74/69/74/542746974.db2.gz SPBBFLQUNBMIAQ-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000341392162 392987045 /nfs/dbraw/zinc/98/70/45/392987045.db2.gz JCHLJZHJIZLGIV-BPCQOVAHSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000341392162 392987055 /nfs/dbraw/zinc/98/70/55/392987055.db2.gz JCHLJZHJIZLGIV-BPCQOVAHSA-N 2 2 290.373 3.181 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000545856759 393010839 /nfs/dbraw/zinc/01/08/39/393010839.db2.gz PYZQMDGTHVOTFQ-UHFFFAOYSA-N 2 2 289.467 3.276 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000545856759 393010847 /nfs/dbraw/zinc/01/08/47/393010847.db2.gz PYZQMDGTHVOTFQ-UHFFFAOYSA-N 2 2 289.467 3.276 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473529 393032888 /nfs/dbraw/zinc/03/28/88/393032888.db2.gz KWCLIQYYZHZJDR-CGBQZSDPSA-N 2 2 296.817 3.265 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466473529 393032892 /nfs/dbraw/zinc/03/28/92/393032892.db2.gz KWCLIQYYZHZJDR-CGBQZSDPSA-N 2 2 296.817 3.265 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000648432513 393014486 /nfs/dbraw/zinc/01/44/86/393014486.db2.gz REPOBBZFWOANLD-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc2ccccc21 ZINC000648432513 393014491 /nfs/dbraw/zinc/01/44/91/393014491.db2.gz REPOBBZFWOANLD-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450155 393023827 /nfs/dbraw/zinc/02/38/27/393023827.db2.gz ZVIZNIYECVZAGI-YVEFUNNKSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450155 393023830 /nfs/dbraw/zinc/02/38/30/393023830.db2.gz ZVIZNIYECVZAGI-YVEFUNNKSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1C(F)(F)F ZINC000415043006 393108706 /nfs/dbraw/zinc/10/87/06/393108706.db2.gz RASZNEIWAOBIIL-ZDUSSCGKSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cnc2ccsc2c1 ZINC000346799937 393094639 /nfs/dbraw/zinc/09/46/39/393094639.db2.gz PBDBGZCTRMHWNA-OUCADQQQSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cnc2ccsc2c1 ZINC000346799937 393094649 /nfs/dbraw/zinc/09/46/49/393094649.db2.gz PBDBGZCTRMHWNA-OUCADQQQSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000415024756 393101652 /nfs/dbraw/zinc/10/16/52/393101652.db2.gz YZXZUBWAKMKJOE-CHWSQXEVSA-N 2 2 272.367 3.318 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415030580 393103407 /nfs/dbraw/zinc/10/34/07/393103407.db2.gz CRIGNLAOMUSVCN-GFCCVEGCSA-N 2 2 293.461 3.102 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414665404 393050053 /nfs/dbraw/zinc/05/00/53/393050053.db2.gz DNCLJQMFYJNLFX-INIZCTEOSA-N 2 2 275.440 3.387 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000414665404 393050055 /nfs/dbraw/zinc/05/00/55/393050055.db2.gz DNCLJQMFYJNLFX-INIZCTEOSA-N 2 2 275.440 3.387 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414954061 393062465 /nfs/dbraw/zinc/06/24/65/393062465.db2.gz MNNGPOZPLODPAR-ZANVPECISA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414954060 393062693 /nfs/dbraw/zinc/06/26/93/393062693.db2.gz MNNGPOZPLODPAR-TVQRCGJNSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414961368 393067562 /nfs/dbraw/zinc/06/75/62/393067562.db2.gz VRRSIAMQLVGYJF-RISCZKNCSA-N 2 2 286.341 3.244 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000414965166 393068595 /nfs/dbraw/zinc/06/85/95/393068595.db2.gz ZGDZPLDIMLMKJL-SWLSCSKDSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964442 393069134 /nfs/dbraw/zinc/06/91/34/393069134.db2.gz YLMLDXYWGGVHHS-DYVFJYSZSA-N 2 2 254.377 3.070 20 0 CGADLP C[NH2+]Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000414970509 393073573 /nfs/dbraw/zinc/07/35/73/393073573.db2.gz GTINOXHDKQRVBP-UHFFFAOYSA-N 2 2 296.418 3.013 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)co2)cc1 ZINC000415048237 393113109 /nfs/dbraw/zinc/11/31/09/393113109.db2.gz FYPFMLAKUZSALZ-OAHLLOKOSA-N 2 2 287.407 3.113 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000415067434 393126376 /nfs/dbraw/zinc/12/63/76/393126376.db2.gz PEMHTTSKMAWVHA-KRWDZBQOSA-N 2 2 254.377 3.039 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000415071150 393128398 /nfs/dbraw/zinc/12/83/98/393128398.db2.gz VZMYBYIAFUYGQU-ZDUSSCGKSA-N 2 2 281.469 3.048 20 0 CGADLP c1ccc(-c2cccc(CC[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000415085039 393138206 /nfs/dbraw/zinc/13/82/06/393138206.db2.gz HQLIEQBMCVAKLD-LJQANCHMSA-N 2 2 280.415 3.238 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415088856 393141104 /nfs/dbraw/zinc/14/11/04/393141104.db2.gz YBPGCYKFKLYUGU-JSGCOSHPSA-N 2 2 264.438 3.201 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415104087 393147395 /nfs/dbraw/zinc/14/73/95/393147395.db2.gz GLUBZJQKTGUEDB-UHFFFAOYSA-N 2 2 274.339 3.009 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415104087 393147400 /nfs/dbraw/zinc/14/74/00/393147400.db2.gz GLUBZJQKTGUEDB-UHFFFAOYSA-N 2 2 274.339 3.009 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000415128889 393152688 /nfs/dbraw/zinc/15/26/88/393152688.db2.gz OOWWZIWXPFBNSP-BDAKNGLRSA-N 2 2 293.263 3.472 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000415128889 393152694 /nfs/dbraw/zinc/15/26/94/393152694.db2.gz OOWWZIWXPFBNSP-BDAKNGLRSA-N 2 2 293.263 3.472 20 0 CGADLP C[C@@H](C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000415125185 393153976 /nfs/dbraw/zinc/15/39/76/393153976.db2.gz OBVMGYMUIPSHBF-ZOCIIQOWSA-N 2 2 298.405 3.356 20 0 CGADLP C[C@@H](C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000415125185 393153984 /nfs/dbraw/zinc/15/39/84/393153984.db2.gz OBVMGYMUIPSHBF-ZOCIIQOWSA-N 2 2 298.405 3.356 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000269041520 393219713 /nfs/dbraw/zinc/21/97/13/393219713.db2.gz GTBDCVXBCVADIE-AGIUHOORSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000269041520 393219715 /nfs/dbraw/zinc/21/97/15/393219715.db2.gz GTBDCVXBCVADIE-AGIUHOORSA-N 2 2 264.438 3.332 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000353910959 393234828 /nfs/dbraw/zinc/23/48/28/393234828.db2.gz FMGGOPZNXOFYLO-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000353910959 393234836 /nfs/dbraw/zinc/23/48/36/393234836.db2.gz FMGGOPZNXOFYLO-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025603 393236773 /nfs/dbraw/zinc/23/67/73/393236773.db2.gz GPGZTLHWKFKZLO-UKTKYZJWSA-N 2 2 280.371 3.248 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025603 393236779 /nfs/dbraw/zinc/23/67/79/393236779.db2.gz GPGZTLHWKFKZLO-UKTKYZJWSA-N 2 2 280.371 3.248 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178309818 292010125 /nfs/dbraw/zinc/01/01/25/292010125.db2.gz XBLDDHFIEUERDW-QGZVFWFLSA-N 2 2 288.435 3.203 20 0 CGADLP Fc1cc(F)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000268952882 393208706 /nfs/dbraw/zinc/20/87/06/393208706.db2.gz FBHBMAAWQUJJDP-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471588659 393285364 /nfs/dbraw/zinc/28/53/64/393285364.db2.gz YKKSRRMPQJWKQC-NJAFHUGGSA-N 2 2 292.467 3.329 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773265 393323904 /nfs/dbraw/zinc/32/39/04/393323904.db2.gz WTIBFKDQWZTHKI-FUHWJXTLSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773265 393323909 /nfs/dbraw/zinc/32/39/09/393323909.db2.gz WTIBFKDQWZTHKI-FUHWJXTLSA-N 2 2 283.419 3.460 20 0 CGADLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1Cl ZINC000648817024 393263049 /nfs/dbraw/zinc/26/30/49/393263049.db2.gz ZQBGJCJZJLOCNV-AAEUAGOBSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000648817024 393263053 /nfs/dbraw/zinc/26/30/53/393263053.db2.gz ZQBGJCJZJLOCNV-AAEUAGOBSA-N 2 2 294.826 3.063 20 0 CGADLP CCSCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000355732410 393338181 /nfs/dbraw/zinc/33/81/81/393338181.db2.gz JQCMBKCCFDDYFW-INIZCTEOSA-N 2 2 278.465 3.166 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474799223 393348731 /nfs/dbraw/zinc/34/87/31/393348731.db2.gz OBACSMCIKPNQAT-CVEARBPZSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000474799223 393348735 /nfs/dbraw/zinc/34/87/35/393348735.db2.gz OBACSMCIKPNQAT-CVEARBPZSA-N 2 2 284.488 3.149 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000356331272 393421140 /nfs/dbraw/zinc/42/11/40/393421140.db2.gz HLGOGVNLBCTASK-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000356331272 393421150 /nfs/dbraw/zinc/42/11/50/393421150.db2.gz HLGOGVNLBCTASK-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)c1nc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000420184031 393433795 /nfs/dbraw/zinc/43/37/95/393433795.db2.gz ISKKHUMQGFPVJX-CHWSQXEVSA-N 2 2 290.455 3.071 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482884934 393440918 /nfs/dbraw/zinc/44/09/18/393440918.db2.gz GHUAMDKWVAHWQI-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482884934 393440923 /nfs/dbraw/zinc/44/09/23/393440923.db2.gz GHUAMDKWVAHWQI-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])CNc1cc(C)cc[nH+]1 ZINC000420263780 393444518 /nfs/dbraw/zinc/44/45/18/393444518.db2.gz ADEQBIAYQPSVCW-HNNXBMFYSA-N 2 2 255.365 3.064 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420318101 393463701 /nfs/dbraw/zinc/46/37/01/393463701.db2.gz PICYWDJNUIHUBJ-AWEZNQCLSA-N 2 2 282.815 3.052 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420318101 393463706 /nfs/dbraw/zinc/46/37/06/393463706.db2.gz PICYWDJNUIHUBJ-AWEZNQCLSA-N 2 2 282.815 3.052 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356510529 393468336 /nfs/dbraw/zinc/46/83/36/393468336.db2.gz WGWYMYCFVVXNRE-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356510529 393468343 /nfs/dbraw/zinc/46/83/43/393468343.db2.gz WGWYMYCFVVXNRE-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000649574985 393495652 /nfs/dbraw/zinc/49/56/52/393495652.db2.gz ZRWYLMNDUCMAMU-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000649574985 393495654 /nfs/dbraw/zinc/49/56/54/393495654.db2.gz ZRWYLMNDUCMAMU-GDBMZVCRSA-N 2 2 276.424 3.219 20 0 CGADLP CC[N@H+](C[C@@H]1C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357619 393496300 /nfs/dbraw/zinc/49/63/00/393496300.db2.gz VWGRBLUXUYUXIM-RDJZCZTQSA-N 2 2 287.451 3.276 20 0 CGADLP CC[N@@H+](C[C@@H]1C[C@@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357619 393496303 /nfs/dbraw/zinc/49/63/03/393496303.db2.gz VWGRBLUXUYUXIM-RDJZCZTQSA-N 2 2 287.451 3.276 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488404532 393500402 /nfs/dbraw/zinc/50/04/02/393500402.db2.gz GHBLDYQPCBDFSD-ILXRZTDVSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488404532 393500404 /nfs/dbraw/zinc/50/04/04/393500404.db2.gz GHBLDYQPCBDFSD-ILXRZTDVSA-N 2 2 284.513 3.228 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417121 393504881 /nfs/dbraw/zinc/50/48/81/393504881.db2.gz VSUWTWNCXDMMBW-UONOGXRCSA-N 2 2 272.502 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417121 393504890 /nfs/dbraw/zinc/50/48/90/393504890.db2.gz VSUWTWNCXDMMBW-UONOGXRCSA-N 2 2 272.502 3.228 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000488418713 393506212 /nfs/dbraw/zinc/50/62/12/393506212.db2.gz FWFWCEYUDCVMER-DAWZGUTISA-N 2 2 274.452 3.184 20 0 CGADLP FC1(F)CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430036741 393514913 /nfs/dbraw/zinc/51/49/13/393514913.db2.gz FQBNGYVRUSSGRW-NSHDSACASA-N 2 2 297.374 3.459 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804214 393516788 /nfs/dbraw/zinc/51/67/88/393516788.db2.gz XLJCZWCOKNGXHM-ACJLOTCBSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357804214 393516795 /nfs/dbraw/zinc/51/67/95/393516795.db2.gz XLJCZWCOKNGXHM-ACJLOTCBSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488446140 393517693 /nfs/dbraw/zinc/51/76/93/393517693.db2.gz SYGXLBCDBPAWFJ-DZGCQCFKSA-N 2 2 276.399 3.036 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455571 393520964 /nfs/dbraw/zinc/52/09/64/393520964.db2.gz FJZXZEAAVXDZFD-LALPHHSUSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000488455571 393520967 /nfs/dbraw/zinc/52/09/67/393520967.db2.gz FJZXZEAAVXDZFD-LALPHHSUSA-N 2 2 266.816 3.331 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115046 393525763 /nfs/dbraw/zinc/52/57/63/393525763.db2.gz UNZUTVHRHBLXLB-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115046 393525770 /nfs/dbraw/zinc/52/57/70/393525770.db2.gz UNZUTVHRHBLXLB-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115046 393525774 /nfs/dbraw/zinc/52/57/74/393525774.db2.gz UNZUTVHRHBLXLB-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC000430115046 393525781 /nfs/dbraw/zinc/52/57/81/393525781.db2.gz UNZUTVHRHBLXLB-MRXNPFEDSA-N 2 2 296.817 3.049 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)o2)cc1 ZINC000430557995 393574179 /nfs/dbraw/zinc/57/41/79/393574179.db2.gz PDOOOZDLRNYEJV-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)o2)cc1 ZINC000430557995 393574182 /nfs/dbraw/zinc/57/41/82/393574182.db2.gz PDOOOZDLRNYEJV-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361116012 393677765 /nfs/dbraw/zinc/67/77/65/393677765.db2.gz ZXDUUPFDSPXIDE-XOKHGSTOSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000361116012 393677768 /nfs/dbraw/zinc/67/77/68/393677768.db2.gz ZXDUUPFDSPXIDE-XOKHGSTOSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360984838 393628535 /nfs/dbraw/zinc/62/85/35/393628535.db2.gz FMQZXWOARBIIQH-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360984838 393628537 /nfs/dbraw/zinc/62/85/37/393628537.db2.gz FMQZXWOARBIIQH-XMTFNYHQSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cs1 ZINC000360985671 393629618 /nfs/dbraw/zinc/62/96/18/393629618.db2.gz IBOGMIHBGFDUTQ-FZMZJTMJSA-N 2 2 283.485 3.469 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085795 393631562 /nfs/dbraw/zinc/63/15/62/393631562.db2.gz FTXNLXFIDSDIEE-YJBOKZPZSA-N 2 2 283.419 3.378 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490085795 393631568 /nfs/dbraw/zinc/63/15/68/393631568.db2.gz FTXNLXFIDSDIEE-YJBOKZPZSA-N 2 2 283.419 3.378 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196455 393655254 /nfs/dbraw/zinc/65/52/54/393655254.db2.gz VJMDWCRJPWIOLD-STQMWFEESA-N 2 2 264.438 3.201 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Br)cc1 ZINC000423354563 393663424 /nfs/dbraw/zinc/66/34/24/393663424.db2.gz CYEZJQXFCJUETB-SUNKGSAMSA-N 2 2 297.240 3.098 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491434220 393688945 /nfs/dbraw/zinc/68/89/45/393688945.db2.gz RNEJKACLHYECHE-DOTOQJQBSA-N 2 2 290.451 3.084 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491434220 393688948 /nfs/dbraw/zinc/68/89/48/393688948.db2.gz RNEJKACLHYECHE-DOTOQJQBSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000433231504 393701635 /nfs/dbraw/zinc/70/16/35/393701635.db2.gz KJQGSVXBDSMWDO-CZUORRHYSA-N 2 2 260.425 3.456 20 0 CGADLP CC[C@H]1C[C@]1([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000502594671 393880824 /nfs/dbraw/zinc/88/08/24/393880824.db2.gz VKYOOJNQBFPWNP-FUHWJXTLSA-N 2 2 283.419 3.497 20 0 CGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667462547 542870845 /nfs/dbraw/zinc/87/08/45/542870845.db2.gz LUSQHVIZBQSTKY-KRWDZBQOSA-N 2 2 285.391 3.074 20 0 CGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667462547 542870847 /nfs/dbraw/zinc/87/08/47/542870847.db2.gz LUSQHVIZBQSTKY-KRWDZBQOSA-N 2 2 285.391 3.074 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474250 393997687 /nfs/dbraw/zinc/99/76/87/393997687.db2.gz PGVFNSRESBDMCX-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474250 393997689 /nfs/dbraw/zinc/99/76/89/393997689.db2.gz PGVFNSRESBDMCX-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474250 393997690 /nfs/dbraw/zinc/99/76/90/393997690.db2.gz PGVFNSRESBDMCX-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000450474250 393997692 /nfs/dbraw/zinc/99/76/92/393997692.db2.gz PGVFNSRESBDMCX-CQSZACIVSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1C ZINC000667493545 542875572 /nfs/dbraw/zinc/87/55/72/542875572.db2.gz WCRBKWCQCYUSJG-SNVBAGLBSA-N 2 2 279.334 3.200 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1C ZINC000667493545 542875574 /nfs/dbraw/zinc/87/55/74/542875574.db2.gz WCRBKWCQCYUSJG-SNVBAGLBSA-N 2 2 279.334 3.200 20 0 CGADLP c1[nH+]c2n(c1C[NH+]1CCC(c3ccccc3)CC1)CCC2 ZINC000667493779 542875739 /nfs/dbraw/zinc/87/57/39/542875739.db2.gz CAKIUJIIKKLCDA-UHFFFAOYSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000453075966 394163223 /nfs/dbraw/zinc/16/32/23/394163223.db2.gz JBQIQWGCSIUNJU-IRXDYDNUSA-N 2 2 289.467 3.257 20 0 CGADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000453451689 394247221 /nfs/dbraw/zinc/24/72/21/394247221.db2.gz RQBGWYXDVWNJSX-AEFFLSMTSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1cccn2c(C[NH2+]CCC3CC(F)(F)C3)c[nH+]c12 ZINC000453596123 394253178 /nfs/dbraw/zinc/25/31/78/394253178.db2.gz ZNEJZAMNGYNQPV-UHFFFAOYSA-N 2 2 279.334 3.168 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)n1C ZINC000667516882 542883285 /nfs/dbraw/zinc/88/32/85/542883285.db2.gz LQEGOCRTEXCDBC-UHFFFAOYSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000667654843 542907667 /nfs/dbraw/zinc/90/76/67/542907667.db2.gz MPQNAAJLNLTEHW-SJCJKPOMSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000667654843 542907670 /nfs/dbraw/zinc/90/76/70/542907670.db2.gz MPQNAAJLNLTEHW-SJCJKPOMSA-N 2 2 287.382 3.451 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H](Cc3ccccc3)C1)CCC2 ZINC000667601879 542897780 /nfs/dbraw/zinc/89/77/80/542897780.db2.gz LXROUWUKDGLRSH-QGZVFWFLSA-N 2 2 295.430 3.284 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H](Cc3ccccc3)C1)CCC2 ZINC000667601879 542897781 /nfs/dbraw/zinc/89/77/81/542897781.db2.gz LXROUWUKDGLRSH-QGZVFWFLSA-N 2 2 295.430 3.284 20 0 CGADLP Cc1[nH+]cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)n1C ZINC000667631633 542901743 /nfs/dbraw/zinc/90/17/43/542901743.db2.gz HYPGAXVXDOMCLC-UHFFFAOYSA-N 2 2 287.382 3.075 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)n1C ZINC000667631633 542901747 /nfs/dbraw/zinc/90/17/47/542901747.db2.gz HYPGAXVXDOMCLC-UHFFFAOYSA-N 2 2 287.382 3.075 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647659 542904462 /nfs/dbraw/zinc/90/44/62/542904462.db2.gz AXVDSTXQGYFNLD-GDBMZVCRSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647659 542904465 /nfs/dbraw/zinc/90/44/65/542904465.db2.gz AXVDSTXQGYFNLD-GDBMZVCRSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)n1C ZINC000667675786 542913598 /nfs/dbraw/zinc/91/35/98/542913598.db2.gz WKEDVMQCCKONBV-YVEFUNNKSA-N 2 2 287.382 3.451 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1c[nH+]c2n1CCC2 ZINC000667672581 542914178 /nfs/dbraw/zinc/91/41/78/542914178.db2.gz XXONCDOVCLGGBY-UHFFFAOYSA-N 2 2 281.359 3.208 20 0 CGADLP CCc1ccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668189488 542984981 /nfs/dbraw/zinc/98/49/81/542984981.db2.gz FZJFIYGQUQNHQB-QGZVFWFLSA-N 2 2 295.430 3.381 20 0 CGADLP CCc1ccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000668189488 542984985 /nfs/dbraw/zinc/98/49/85/542984985.db2.gz FZJFIYGQUQNHQB-QGZVFWFLSA-N 2 2 295.430 3.381 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CC(Cc3ccccc3Cl)C2)n1C ZINC000668173177 542980467 /nfs/dbraw/zinc/98/04/67/542980467.db2.gz BTAHTAJOWGSETP-UHFFFAOYSA-N 2 2 289.810 3.056 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCCCOc1ccccc1 ZINC000668432402 543012620 /nfs/dbraw/zinc/01/26/20/543012620.db2.gz RKUPENRTQVMPKP-INIZCTEOSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCCCOc1ccccc1 ZINC000668432402 543012623 /nfs/dbraw/zinc/01/26/23/543012623.db2.gz RKUPENRTQVMPKP-INIZCTEOSA-N 2 2 290.451 3.308 20 0 CGADLP CC[C@@H](COCC1CC1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668458965 543014849 /nfs/dbraw/zinc/01/48/49/543014849.db2.gz NLAGQWUWVHRXIN-KRWDZBQOSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CCF)C2)c[nH+]1 ZINC000668593182 543031866 /nfs/dbraw/zinc/03/18/66/543031866.db2.gz XUSNGRYCZCIMTN-MRXNPFEDSA-N 2 2 264.388 3.394 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CCF)C2)c[nH+]1 ZINC000668593182 543031869 /nfs/dbraw/zinc/03/18/69/543031869.db2.gz XUSNGRYCZCIMTN-MRXNPFEDSA-N 2 2 264.388 3.394 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c[nH+]1 ZINC000668744506 543054106 /nfs/dbraw/zinc/05/41/06/543054106.db2.gz PESNFQBNGKGTEH-IPMKNSEASA-N 2 2 296.389 3.390 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000671296282 543166974 /nfs/dbraw/zinc/16/69/74/543166974.db2.gz UORXKEHEYXHFJI-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000671296282 543166976 /nfs/dbraw/zinc/16/69/76/543166976.db2.gz UORXKEHEYXHFJI-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000671297078 543167186 /nfs/dbraw/zinc/16/71/86/543167186.db2.gz JWKAWXBKSMQRSK-HOTGVXAUSA-N 2 2 283.419 3.482 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302863 543168896 /nfs/dbraw/zinc/16/88/96/543168896.db2.gz FRWCSKSRYXISIB-LBPRGKRZSA-N 2 2 275.421 3.002 20 0 CGADLP C[C@H](c1ccncc1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739681 543183722 /nfs/dbraw/zinc/18/37/22/543183722.db2.gz SAMINHUYZLWRJF-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1ccncc1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739681 543183724 /nfs/dbraw/zinc/18/37/24/543183724.db2.gz SAMINHUYZLWRJF-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1ccncc1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739681 543183727 /nfs/dbraw/zinc/18/37/27/543183727.db2.gz SAMINHUYZLWRJF-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000674005788 543262294 /nfs/dbraw/zinc/26/22/94/543262294.db2.gz NFQRLSFGTPTCMW-DOTOQJQBSA-N 2 2 285.366 3.347 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000674005788 543262296 /nfs/dbraw/zinc/26/22/96/543262296.db2.gz NFQRLSFGTPTCMW-DOTOQJQBSA-N 2 2 285.366 3.347 20 0 CGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070946317 397639517 /nfs/dbraw/zinc/63/95/17/397639517.db2.gz XCKGBFNKIKGLTA-AWEZNQCLSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070946317 397639520 /nfs/dbraw/zinc/63/95/20/397639520.db2.gz XCKGBFNKIKGLTA-AWEZNQCLSA-N 2 2 255.365 3.247 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC2CCC1CC2 ZINC000394317971 397695145 /nfs/dbraw/zinc/69/51/45/397695145.db2.gz DYYGWQAYSHGINF-PPWQZUPISA-N 2 2 252.446 3.131 20 0 CGADLP CCN(C)c1ccc(CNc2ccc3[nH]c[nH+]c3c2)c[nH+]1 ZINC000419731530 397700440 /nfs/dbraw/zinc/70/04/40/397700440.db2.gz QQDOIPIVMNWPMQ-UHFFFAOYSA-N 2 2 281.363 3.026 20 0 CGADLP FC1(F)C[C@]12CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000649906472 397750767 /nfs/dbraw/zinc/75/07/67/397750767.db2.gz XNBHRPKBHHHXJV-HNNXBMFYSA-N 2 2 289.329 3.103 20 0 CGADLP FC1(F)C[C@]12CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000649906472 397750772 /nfs/dbraw/zinc/75/07/72/397750772.db2.gz XNBHRPKBHHHXJV-HNNXBMFYSA-N 2 2 289.329 3.103 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000421800473 292146598 /nfs/dbraw/zinc/14/65/98/292146598.db2.gz HKWPYHRZBISIFQ-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675765681 543361823 /nfs/dbraw/zinc/36/18/23/543361823.db2.gz FHSZGGCRMXGNMP-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675765681 543361824 /nfs/dbraw/zinc/36/18/24/543361824.db2.gz FHSZGGCRMXGNMP-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675923930 543373962 /nfs/dbraw/zinc/37/39/62/543373962.db2.gz VOUFGUJYNOJTNA-DJIMGWMZSA-N 2 2 283.419 3.482 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)Cc3cccs3)[nH+]c12 ZINC000675925498 543374447 /nfs/dbraw/zinc/37/44/47/543374447.db2.gz WNYHTKNUAFBVRV-AWEZNQCLSA-N 2 2 299.443 3.468 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c[nH+]1 ZINC000676040247 543378577 /nfs/dbraw/zinc/37/85/77/543378577.db2.gz WOVSQZZEOJYRCR-OAHLLOKOSA-N 2 2 281.359 3.466 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)c[nH+]1 ZINC000676040247 543378578 /nfs/dbraw/zinc/37/85/78/543378578.db2.gz WOVSQZZEOJYRCR-OAHLLOKOSA-N 2 2 281.359 3.466 20 0 CGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478708 543398826 /nfs/dbraw/zinc/39/88/26/543398826.db2.gz WGCWQXSRFZIDSV-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676478708 543398830 /nfs/dbraw/zinc/39/88/30/543398830.db2.gz WGCWQXSRFZIDSV-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000677519844 543453323 /nfs/dbraw/zinc/45/33/23/543453323.db2.gz PNDGZHMQKXHRNO-JONQDZQNSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000677519844 543453324 /nfs/dbraw/zinc/45/33/24/543453324.db2.gz PNDGZHMQKXHRNO-JONQDZQNSA-N 2 2 252.446 3.131 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804459 543466799 /nfs/dbraw/zinc/46/67/99/543466799.db2.gz GMRDXVZBGFPFOJ-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804459 543466800 /nfs/dbraw/zinc/46/68/00/543466800.db2.gz GMRDXVZBGFPFOJ-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000677745351 543463255 /nfs/dbraw/zinc/46/32/55/543463255.db2.gz LGYAOAGTFKTNIT-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC[N@H+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000677745351 543463256 /nfs/dbraw/zinc/46/32/56/543463256.db2.gz LGYAOAGTFKTNIT-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000678002878 543475812 /nfs/dbraw/zinc/47/58/12/543475812.db2.gz JHBBIWIKUCFUAW-UHFFFAOYSA-N 2 2 294.402 3.040 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000678002878 543475814 /nfs/dbraw/zinc/47/58/14/543475814.db2.gz JHBBIWIKUCFUAW-UHFFFAOYSA-N 2 2 294.402 3.040 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678235221 543498841 /nfs/dbraw/zinc/49/88/41/543498841.db2.gz PNKLIWOHYXWNBT-YCPHGPKFSA-N 2 2 285.391 3.437 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678235221 543498842 /nfs/dbraw/zinc/49/88/42/543498842.db2.gz PNKLIWOHYXWNBT-YCPHGPKFSA-N 2 2 285.391 3.437 20 0 CGADLP c1ccc2c(c1)n[nH]c2C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678272565 543508117 /nfs/dbraw/zinc/50/81/17/543508117.db2.gz DEJIBPSGLRNRQA-OAHLLOKOSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678272565 543508118 /nfs/dbraw/zinc/50/81/18/543508118.db2.gz DEJIBPSGLRNRQA-OAHLLOKOSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678272565 543508120 /nfs/dbraw/zinc/50/81/20/543508120.db2.gz DEJIBPSGLRNRQA-OAHLLOKOSA-N 2 2 298.434 3.013 20 0 CGADLP c1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000678272565 543508122 /nfs/dbraw/zinc/50/81/22/543508122.db2.gz DEJIBPSGLRNRQA-OAHLLOKOSA-N 2 2 298.434 3.013 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678498099 543531485 /nfs/dbraw/zinc/53/14/85/543531485.db2.gz ZVYUBXVQYJFLCA-ZBFHGGJFSA-N 2 2 271.408 3.340 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000678542030 543534395 /nfs/dbraw/zinc/53/43/95/543534395.db2.gz BLVJRHFEPINLRN-HOCLYGCPSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000678542030 543534396 /nfs/dbraw/zinc/53/43/96/543534396.db2.gz BLVJRHFEPINLRN-HOCLYGCPSA-N 2 2 276.424 3.139 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000678597768 543541261 /nfs/dbraw/zinc/54/12/61/543541261.db2.gz LOENXVMRYZNTEE-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000678597768 543541263 /nfs/dbraw/zinc/54/12/63/543541263.db2.gz LOENXVMRYZNTEE-ZFWWWQNUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[N@H+](C)C1CC1 ZINC000678769596 543554942 /nfs/dbraw/zinc/55/49/42/543554942.db2.gz WQLWBUYMCKOPCK-LBTNJELSSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000678769596 543554946 /nfs/dbraw/zinc/55/49/46/543554946.db2.gz WQLWBUYMCKOPCK-LBTNJELSSA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C)cc1 ZINC000678685500 543549727 /nfs/dbraw/zinc/54/97/27/543549727.db2.gz HJKDJGKYVUOXGX-WMLDXEAASA-N 2 2 262.441 3.486 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922901 543571560 /nfs/dbraw/zinc/57/15/60/543571560.db2.gz VCSQYQJOAALZPG-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678922901 543571563 /nfs/dbraw/zinc/57/15/63/543571563.db2.gz VCSQYQJOAALZPG-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000427896378 296632216 /nfs/dbraw/zinc/63/22/16/296632216.db2.gz VJHKEOJHBMMLKX-IXDOHACOSA-N 2 2 281.403 3.124 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554348694 289272925 /nfs/dbraw/zinc/27/29/25/289272925.db2.gz DFRRUOIHDPPSEU-HUUCEWRRSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000556100740 289370759 /nfs/dbraw/zinc/37/07/59/289370759.db2.gz HHZWYNAJCGWMPF-BZUAXINKSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000556100740 289370760 /nfs/dbraw/zinc/37/07/60/289370760.db2.gz HHZWYNAJCGWMPF-BZUAXINKSA-N 2 2 252.446 3.418 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344005069 286394817 /nfs/dbraw/zinc/39/48/17/286394817.db2.gz DODNWJWIICFBMM-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)C12CCC2 ZINC000344005069 286394818 /nfs/dbraw/zinc/39/48/18/286394818.db2.gz DODNWJWIICFBMM-LUKYLMHMSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000229553623 298384266 /nfs/dbraw/zinc/38/42/66/298384266.db2.gz VJASDLYGVPVGGX-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000229553623 298384267 /nfs/dbraw/zinc/38/42/67/298384267.db2.gz VJASDLYGVPVGGX-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000271809760 287030420 /nfs/dbraw/zinc/03/04/20/287030420.db2.gz UHEQZSAZLZIIAQ-VXGBXAGGSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000271809760 287030423 /nfs/dbraw/zinc/03/04/23/287030423.db2.gz UHEQZSAZLZIIAQ-VXGBXAGGSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491050563 287037794 /nfs/dbraw/zinc/03/77/94/287037794.db2.gz HXSYMJTVIYAZFY-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491050563 287037795 /nfs/dbraw/zinc/03/77/95/287037795.db2.gz HXSYMJTVIYAZFY-XRGAULLZSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000091960364 165279920 /nfs/dbraw/zinc/27/99/20/165279920.db2.gz VKGAAKDGQLTDEG-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000091960364 165279922 /nfs/dbraw/zinc/27/99/22/165279922.db2.gz VKGAAKDGQLTDEG-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CCCC2)n1-c1ccccc1 ZINC000092128774 165282963 /nfs/dbraw/zinc/28/29/63/165282963.db2.gz XDQAANUENASLGS-UHFFFAOYSA-N 2 2 269.392 3.461 20 0 CGADLP CCCCOCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092128902 165284175 /nfs/dbraw/zinc/28/41/75/165284175.db2.gz OAGFCTLKLMKVRY-UHFFFAOYSA-N 2 2 287.407 3.087 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000091316688 287107529 /nfs/dbraw/zinc/10/75/29/287107529.db2.gz HCWVYGGGAODROY-CYBMUJFWSA-N 2 2 268.832 3.201 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000091316688 287107531 /nfs/dbraw/zinc/10/75/31/287107531.db2.gz HCWVYGGGAODROY-CYBMUJFWSA-N 2 2 268.832 3.201 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683365 165333199 /nfs/dbraw/zinc/33/31/99/165333199.db2.gz WRIXNCAFJUEXLR-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683365 165333205 /nfs/dbraw/zinc/33/32/05/165333205.db2.gz WRIXNCAFJUEXLR-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000094836864 165391771 /nfs/dbraw/zinc/39/17/71/165391771.db2.gz RVZUUXYJQLFBFP-ZDUSSCGKSA-N 2 2 261.344 3.072 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000111361844 287134191 /nfs/dbraw/zinc/13/41/91/287134191.db2.gz SEFUQADRFGWQAL-NSHDSACASA-N 2 2 278.425 3.087 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292227835 287143031 /nfs/dbraw/zinc/14/30/31/287143031.db2.gz VNWCPYRIBTYIBW-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292227835 287143032 /nfs/dbraw/zinc/14/30/32/287143032.db2.gz VNWCPYRIBTYIBW-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292227835 287143033 /nfs/dbraw/zinc/14/30/33/287143033.db2.gz VNWCPYRIBTYIBW-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292227835 287143034 /nfs/dbraw/zinc/14/30/34/287143034.db2.gz VNWCPYRIBTYIBW-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122276871 287208080 /nfs/dbraw/zinc/20/80/80/287208080.db2.gz WVHIBIYEGVXSCM-BXUZGUMPSA-N 2 2 298.352 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000122276871 287208082 /nfs/dbraw/zinc/20/80/82/287208082.db2.gz WVHIBIYEGVXSCM-BXUZGUMPSA-N 2 2 298.352 3.420 20 0 CGADLP CC1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000284315286 196028025 /nfs/dbraw/zinc/02/80/25/196028025.db2.gz ZMWNGYJPHKATHY-KRWDZBQOSA-N 2 2 285.435 3.134 20 0 CGADLP Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000125518640 287246097 /nfs/dbraw/zinc/24/60/97/287246097.db2.gz XECLBOXSDYUXHS-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)o1 ZINC000020146296 171032459 /nfs/dbraw/zinc/03/24/59/171032459.db2.gz JFYIXIRLZNCPDG-HNNXBMFYSA-N 2 2 264.413 3.361 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccnc1 ZINC000020186673 171051035 /nfs/dbraw/zinc/05/10/35/171051035.db2.gz CPWDUNXUBDQWAH-ZDUSSCGKSA-N 2 2 280.375 3.091 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000020189919 171056641 /nfs/dbraw/zinc/05/66/41/171056641.db2.gz NUBXTJYEXAVCMG-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+](C)C ZINC000021060341 171296683 /nfs/dbraw/zinc/29/66/83/171296683.db2.gz ITHGRDQDWPWZJM-DOTOQJQBSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1F ZINC000035224256 172068972 /nfs/dbraw/zinc/06/89/72/172068972.db2.gz GLYMEVDCWZERRS-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1F ZINC000035224256 172068975 /nfs/dbraw/zinc/06/89/75/172068975.db2.gz GLYMEVDCWZERRS-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000035274815 172095835 /nfs/dbraw/zinc/09/58/35/172095835.db2.gz AZDYFSNURKTFTL-SNVBAGLBSA-N 2 2 284.190 3.368 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)[NH+](C)C ZINC000126521613 287266965 /nfs/dbraw/zinc/26/69/65/287266965.db2.gz GJRQXJLLXJVOPD-SJORKVTESA-N 2 2 294.870 3.373 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC=C(C)CC1 ZINC000285348678 196257367 /nfs/dbraw/zinc/25/73/67/196257367.db2.gz VBMXWKLAJPQFNB-HNNXBMFYSA-N 2 2 269.392 3.433 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732806 172383768 /nfs/dbraw/zinc/38/37/68/172383768.db2.gz MYBLQXXODIOIFQ-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732806 172383769 /nfs/dbraw/zinc/38/37/69/172383769.db2.gz MYBLQXXODIOIFQ-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000285652540 196356130 /nfs/dbraw/zinc/35/61/30/196356130.db2.gz SLNDQGSSZQPPLW-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285652540 196356131 /nfs/dbraw/zinc/35/61/31/196356131.db2.gz SLNDQGSSZQPPLW-DOTOQJQBSA-N 2 2 269.392 3.356 20 0 CGADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249351 173062203 /nfs/dbraw/zinc/06/22/03/173062203.db2.gz KKXGLXOAPAFTPD-QGZVFWFLSA-N 2 2 285.391 3.023 20 0 CGADLP Cc1ncc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000037505466 173241048 /nfs/dbraw/zinc/24/10/48/173241048.db2.gz MKJQWDBHHZNIFP-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1ncc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000037505466 173241050 /nfs/dbraw/zinc/24/10/50/173241050.db2.gz MKJQWDBHHZNIFP-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000038028901 174018567 /nfs/dbraw/zinc/01/85/67/174018567.db2.gz DSYBCGIOGBKPCJ-FAEJEUNOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000043324785 175006846 /nfs/dbraw/zinc/00/68/46/175006846.db2.gz HGIKXROEJFYXGI-ZFWWWQNUSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000043324783 175006879 /nfs/dbraw/zinc/00/68/79/175006879.db2.gz HGIKXROEJFYXGI-UKRRQHHQSA-N 2 2 254.377 3.242 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000044527741 175192464 /nfs/dbraw/zinc/19/24/64/175192464.db2.gz FHELZZJMADRDPT-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000044527741 175192465 /nfs/dbraw/zinc/19/24/65/175192465.db2.gz FHELZZJMADRDPT-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527860 175193029 /nfs/dbraw/zinc/19/30/29/175193029.db2.gz YALQBVYPTJHCLA-VXGBXAGGSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527860 175193030 /nfs/dbraw/zinc/19/30/30/175193030.db2.gz YALQBVYPTJHCLA-VXGBXAGGSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000128023674 287301409 /nfs/dbraw/zinc/30/14/09/287301409.db2.gz POKAXPRWOPPGEI-AWEZNQCLSA-N 2 2 287.382 3.416 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314876 176120896 /nfs/dbraw/zinc/12/08/96/176120896.db2.gz GZHSFWZWISTRFY-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314876 176120897 /nfs/dbraw/zinc/12/08/97/176120897.db2.gz GZHSFWZWISTRFY-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000342734861 416541273 /nfs/dbraw/zinc/54/12/73/416541273.db2.gz OQNSFAZSXOVBBL-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000342734861 416541274 /nfs/dbraw/zinc/54/12/74/416541274.db2.gz OQNSFAZSXOVBBL-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122298855 416503682 /nfs/dbraw/zinc/50/36/82/416503682.db2.gz KDALEUTUDSPAJE-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122298855 416503686 /nfs/dbraw/zinc/50/36/86/416503686.db2.gz KDALEUTUDSPAJE-RISCZKNCSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000122343328 416504632 /nfs/dbraw/zinc/50/46/32/416504632.db2.gz IZUJJQQHJBEJGE-FZMZJTMJSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000122343328 416504636 /nfs/dbraw/zinc/50/46/36/416504636.db2.gz IZUJJQQHJBEJGE-FZMZJTMJSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000679040197 543585960 /nfs/dbraw/zinc/58/59/60/543585960.db2.gz ZXKOCPWCXXPDHM-CPUCHLNUSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000679040197 543585963 /nfs/dbraw/zinc/58/59/63/543585963.db2.gz ZXKOCPWCXXPDHM-CPUCHLNUSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386450 543631362 /nfs/dbraw/zinc/63/13/62/543631362.db2.gz NDGHARREWGMSOJ-MSOLQXFVSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000679386450 543631364 /nfs/dbraw/zinc/63/13/64/543631364.db2.gz NDGHARREWGMSOJ-MSOLQXFVSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461020 543711805 /nfs/dbraw/zinc/71/18/05/543711805.db2.gz DOZJDGAXRLQABR-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000680461020 543711808 /nfs/dbraw/zinc/71/18/08/543711808.db2.gz DOZJDGAXRLQABR-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000682131603 543826948 /nfs/dbraw/zinc/82/69/48/543826948.db2.gz AFPQMURMWXWOKF-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000682131603 543826951 /nfs/dbraw/zinc/82/69/51/543826951.db2.gz AFPQMURMWXWOKF-OKZBNKHCSA-N 2 2 272.436 3.181 20 0 CGADLP FC(F)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000131380811 287378095 /nfs/dbraw/zinc/37/80/95/287378095.db2.gz BOJSWVHOUKJHLD-UHFFFAOYSA-N 2 2 279.334 3.391 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000682640723 543855462 /nfs/dbraw/zinc/85/54/62/543855462.db2.gz NAYJQCYTOBFLFU-VYMRPNJYSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000682640723 543855463 /nfs/dbraw/zinc/85/54/63/543855463.db2.gz NAYJQCYTOBFLFU-VYMRPNJYSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000683690204 543931818 /nfs/dbraw/zinc/93/18/18/543931818.db2.gz ZBPIHYMJTNELJZ-ZNMIVQPWSA-N 2 2 294.439 3.046 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000683690204 543931821 /nfs/dbraw/zinc/93/18/21/543931821.db2.gz ZBPIHYMJTNELJZ-ZNMIVQPWSA-N 2 2 294.439 3.046 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683694469 543933758 /nfs/dbraw/zinc/93/37/58/543933758.db2.gz PSMNWYZMQFMKHN-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683694469 543933759 /nfs/dbraw/zinc/93/37/59/543933759.db2.gz PSMNWYZMQFMKHN-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000683141224 543898592 /nfs/dbraw/zinc/89/85/92/543898592.db2.gz QSMGCFBNSOPDRQ-SFHVURJKSA-N 2 2 290.451 3.182 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000683141224 543898595 /nfs/dbraw/zinc/89/85/95/543898595.db2.gz QSMGCFBNSOPDRQ-SFHVURJKSA-N 2 2 290.451 3.182 20 0 CGADLP Clc1cccc(Cl)c1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684613362 544019034 /nfs/dbraw/zinc/01/90/34/544019034.db2.gz PQNRZTVBQKEKSC-VXGBXAGGSA-N 2 2 299.245 3.077 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000684394845 543992659 /nfs/dbraw/zinc/99/26/59/543992659.db2.gz LYGHLYTVIHBYJB-OWLYRPNTSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448857 544072208 /nfs/dbraw/zinc/07/22/08/544072208.db2.gz LESVSWDJVOXJEU-YYIAUSFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000685448857 544072211 /nfs/dbraw/zinc/07/22/11/544072211.db2.gz LESVSWDJVOXJEU-YYIAUSFCSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000367065163 226531820 /nfs/dbraw/zinc/53/18/20/226531820.db2.gz HCQPMQGJCJQCKR-HOCLYGCPSA-N 2 2 275.440 3.038 20 0 CGADLP C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652286115 418944260 /nfs/dbraw/zinc/94/42/60/418944260.db2.gz NKSCKUAGSYYYBU-GJZGRUSLSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000664403484 418952738 /nfs/dbraw/zinc/95/27/38/418952738.db2.gz ODTRHHYMLULSIH-AWEZNQCLSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664403484 418952741 /nfs/dbraw/zinc/95/27/41/418952741.db2.gz ODTRHHYMLULSIH-AWEZNQCLSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329195 418953290 /nfs/dbraw/zinc/95/32/90/418953290.db2.gz MUOHGPBIDRRKJA-BXUZGUMPSA-N 2 2 298.352 3.234 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652329195 418953295 /nfs/dbraw/zinc/95/32/95/418953295.db2.gz MUOHGPBIDRRKJA-BXUZGUMPSA-N 2 2 298.352 3.234 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659856934 419015669 /nfs/dbraw/zinc/01/56/69/419015669.db2.gz DXSIEDQUYPXLQH-BZUAXINKSA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@H]1CCC[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659856934 419015673 /nfs/dbraw/zinc/01/56/73/419015673.db2.gz DXSIEDQUYPXLQH-BZUAXINKSA-N 2 2 252.446 3.085 20 0 CGADLP Cc1cc2cc(C[NH2+]CCC[NH+]3CCC3)oc2cc1C ZINC000655753923 419087546 /nfs/dbraw/zinc/08/75/46/419087546.db2.gz DLQHJOSLOUNHDW-UHFFFAOYSA-N 2 2 272.392 3.235 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254007 419094077 /nfs/dbraw/zinc/09/40/77/419094077.db2.gz FTNLTNNWOTZIDU-OAGGEKHMSA-N 2 2 276.399 3.049 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655858505 419124767 /nfs/dbraw/zinc/12/47/67/419124767.db2.gz YVMKALVDTPQVRV-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655858505 419124771 /nfs/dbraw/zinc/12/47/71/419124771.db2.gz YVMKALVDTPQVRV-ZWKOTPCHSA-N 2 2 283.419 3.274 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000665296280 419109013 /nfs/dbraw/zinc/10/90/13/419109013.db2.gz PUOPDVJXJRWYRU-SMDDNHRTSA-N 2 2 282.815 3.060 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000665295637 419109024 /nfs/dbraw/zinc/10/90/24/419109024.db2.gz GVDIECYRJFDLPZ-NXEZZACHSA-N 2 2 295.477 3.439 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000665295454 419109436 /nfs/dbraw/zinc/10/94/36/419109436.db2.gz DPXCAYLOLIBPQP-OLZOCXBDSA-N 2 2 258.365 3.205 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000665296440 419109521 /nfs/dbraw/zinc/10/95/21/419109521.db2.gz SOEQGPOJCCQESE-HZMBPMFUSA-N 2 2 286.341 3.354 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000665297534 419111260 /nfs/dbraw/zinc/11/12/60/419111260.db2.gz HUNPMDMAPJQEQL-HZMBPMFUSA-N 2 2 297.240 3.024 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848732 419118153 /nfs/dbraw/zinc/11/81/53/419118153.db2.gz KBINUIKEWUFUCB-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848732 419118156 /nfs/dbraw/zinc/11/81/56/419118156.db2.gz KBINUIKEWUFUCB-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000655847910 419118474 /nfs/dbraw/zinc/11/84/74/419118474.db2.gz FTQCYWVXDQYOBP-GBESFXJTSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000655847910 419118478 /nfs/dbraw/zinc/11/84/78/419118478.db2.gz FTQCYWVXDQYOBP-GBESFXJTSA-N 2 2 284.447 3.150 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849692 419120257 /nfs/dbraw/zinc/12/02/57/419120257.db2.gz PJMSNEDZKSXRNL-KBMXLJTQSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849692 419120262 /nfs/dbraw/zinc/12/02/62/419120262.db2.gz PJMSNEDZKSXRNL-KBMXLJTQSA-N 2 2 278.465 3.286 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849764 419120878 /nfs/dbraw/zinc/12/08/78/419120878.db2.gz YNQXDSZVXDLUER-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849764 419120880 /nfs/dbraw/zinc/12/08/80/419120880.db2.gz YNQXDSZVXDLUER-RRFJBIMHSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655850886 419120927 /nfs/dbraw/zinc/12/09/27/419120927.db2.gz ZMSKFDLIEDAAQV-SSHXOBKSSA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850886 419120929 /nfs/dbraw/zinc/12/09/29/419120929.db2.gz ZMSKFDLIEDAAQV-SSHXOBKSSA-N 2 2 250.430 3.172 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)[nH]1 ZINC000659999127 419060119 /nfs/dbraw/zinc/06/01/19/419060119.db2.gz NWMXCIJSTRWFFX-YUELXQCFSA-N 2 2 259.397 3.025 20 0 CGADLP CO[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000659998652 419060186 /nfs/dbraw/zinc/06/01/86/419060186.db2.gz JQKPQZSYHGWNHF-KRWDZBQOSA-N 2 2 291.439 3.115 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3nsc4ccccc34)CC2)[nH]1 ZINC000659999865 419061014 /nfs/dbraw/zinc/06/10/14/419061014.db2.gz XTXVVKPCRUQYGL-UHFFFAOYSA-N 2 2 298.415 3.399 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655699982 419068614 /nfs/dbraw/zinc/06/86/14/419068614.db2.gz IRZPKWZVQPNAEW-LSDHHAIUSA-N 2 2 294.464 3.042 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)[NH+](C)C)cc1 ZINC000655703462 419069484 /nfs/dbraw/zinc/06/94/84/419069484.db2.gz QVLSQGSEQUIVCQ-UAGQMJEPSA-N 2 2 292.492 3.471 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655717039 419075297 /nfs/dbraw/zinc/07/52/97/419075297.db2.gz SYMDAOGRSPRLRZ-NVXWUHKLSA-N 2 2 270.420 3.117 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655717039 419075300 /nfs/dbraw/zinc/07/53/00/419075300.db2.gz SYMDAOGRSPRLRZ-NVXWUHKLSA-N 2 2 270.420 3.117 20 0 CGADLP CC(C)c1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000656211822 419151705 /nfs/dbraw/zinc/15/17/05/419151705.db2.gz MGFYWTKAVZEONH-OKILXGFUSA-N 2 2 290.455 3.476 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC000656277695 419164673 /nfs/dbraw/zinc/16/46/73/419164673.db2.gz AQMVZHVCAMZBHM-KRWDZBQOSA-N 2 2 288.435 3.404 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1Cl)C2 ZINC000660653623 419177107 /nfs/dbraw/zinc/17/71/07/419177107.db2.gz SYAGTAGEYNQRJH-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1Cl)C2 ZINC000660653623 419177109 /nfs/dbraw/zinc/17/71/09/419177109.db2.gz SYAGTAGEYNQRJH-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1Cl)C2 ZINC000660653623 419177112 /nfs/dbraw/zinc/17/71/12/419177112.db2.gz SYAGTAGEYNQRJH-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1Cl)C2 ZINC000660653623 419177114 /nfs/dbraw/zinc/17/71/14/419177114.db2.gz SYAGTAGEYNQRJH-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654117 419177985 /nfs/dbraw/zinc/17/79/85/419177985.db2.gz CZMNJLKGJRORLX-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654117 419177988 /nfs/dbraw/zinc/17/79/88/419177988.db2.gz CZMNJLKGJRORLX-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654117 419177991 /nfs/dbraw/zinc/17/79/91/419177991.db2.gz CZMNJLKGJRORLX-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654117 419177995 /nfs/dbraw/zinc/17/79/95/419177995.db2.gz CZMNJLKGJRORLX-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660680672 419182369 /nfs/dbraw/zinc/18/23/69/419182369.db2.gz VRDJHDJMRNHLDF-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000666088584 419188922 /nfs/dbraw/zinc/18/89/22/419188922.db2.gz BRKMYERRROAMKH-GOEBONIOSA-N 2 2 288.435 3.139 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000666088584 419188925 /nfs/dbraw/zinc/18/89/25/419188925.db2.gz BRKMYERRROAMKH-GOEBONIOSA-N 2 2 288.435 3.139 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1C[C@H]1C ZINC000666094271 419190180 /nfs/dbraw/zinc/19/01/80/419190180.db2.gz SOJNWGJAZCJKTD-YQFWSFKMSA-N 2 2 283.419 3.338 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH]c2c1 ZINC000657394236 419269178 /nfs/dbraw/zinc/26/91/78/419269178.db2.gz LPWDSBGKTMWOQY-UGSOOPFHSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH]c2c1 ZINC000657394236 419269179 /nfs/dbraw/zinc/26/91/79/419269179.db2.gz LPWDSBGKTMWOQY-UGSOOPFHSA-N 2 2 283.419 3.049 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514165 419269214 /nfs/dbraw/zinc/26/92/14/419269214.db2.gz QWGWURSLBSVEIQ-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514165 419269217 /nfs/dbraw/zinc/26/92/17/419269217.db2.gz QWGWURSLBSVEIQ-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514165 419269218 /nfs/dbraw/zinc/26/92/18/419269218.db2.gz QWGWURSLBSVEIQ-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514165 419269219 /nfs/dbraw/zinc/26/92/19/419269219.db2.gz QWGWURSLBSVEIQ-JKSUJKDBSA-N 2 2 262.372 3.057 20 0 CGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353420 419257955 /nfs/dbraw/zinc/25/79/55/419257955.db2.gz MXFJBIRLHUMVRB-HUUCEWRRSA-N 2 2 261.413 3.134 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CCCc3ccccc32)n1C ZINC000657365969 419261560 /nfs/dbraw/zinc/26/15/60/419261560.db2.gz LDSULVBXGQGTAG-QGZVFWFLSA-N 2 2 269.392 3.070 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000656675829 419197369 /nfs/dbraw/zinc/19/73/69/419197369.db2.gz JESTVWCPDMZSQM-XHDPSFHLSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000656675829 419197372 /nfs/dbraw/zinc/19/73/72/419197372.db2.gz JESTVWCPDMZSQM-XHDPSFHLSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000656676091 419197949 /nfs/dbraw/zinc/19/79/49/419197949.db2.gz MDXXHAKBPJBBSQ-ZBFHGGJFSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000656676091 419197953 /nfs/dbraw/zinc/19/79/53/419197953.db2.gz MDXXHAKBPJBBSQ-ZBFHGGJFSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1F ZINC000656677686 419199082 /nfs/dbraw/zinc/19/90/82/419199082.db2.gz VQEGUUIEDINKNN-OLZOCXBDSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1F ZINC000656677686 419199083 /nfs/dbraw/zinc/19/90/83/419199083.db2.gz VQEGUUIEDINKNN-OLZOCXBDSA-N 2 2 264.388 3.349 20 0 CGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000656787160 419218991 /nfs/dbraw/zinc/21/89/91/419218991.db2.gz DYWQIOJFCUWJHQ-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000656787160 419218993 /nfs/dbraw/zinc/21/89/93/419218993.db2.gz DYWQIOJFCUWJHQ-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CCCC1 ZINC000656789648 419220740 /nfs/dbraw/zinc/22/07/40/419220740.db2.gz ULLDEEDDEKGEHH-UHFFFAOYSA-N 2 2 289.810 3.249 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC(C3CCC3)CC1)CC2 ZINC000657440698 419279442 /nfs/dbraw/zinc/27/94/42/419279442.db2.gz WODKCFAAUAUFSY-UYSNPLJNSA-N 2 2 273.424 3.146 20 0 CGADLP Fc1cccc(CC2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)c1 ZINC000657439674 419279956 /nfs/dbraw/zinc/27/99/56/419279956.db2.gz LOSDYNDQRHXFRS-UHFFFAOYSA-N 2 2 299.393 3.223 20 0 CGADLP Fc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1F ZINC000657456971 419283391 /nfs/dbraw/zinc/28/33/91/419283391.db2.gz DFHXOXNOGCYWBX-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP Cc1cc(CC[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Cl ZINC000657468938 419286139 /nfs/dbraw/zinc/28/61/39/419286139.db2.gz AYWNYRNETBXMRW-UHFFFAOYSA-N 2 2 289.810 3.123 20 0 CGADLP CC(F)(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657473824 419286760 /nfs/dbraw/zinc/28/67/60/419286760.db2.gz RXNZCVKMNUOOGL-UHFFFAOYSA-N 2 2 291.345 3.231 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H](C1CCC1)C1CCCC1)CCC2 ZINC000657498220 419294137 /nfs/dbraw/zinc/29/41/37/419294137.db2.gz CFJDIHIEERRJPD-KRWDZBQOSA-N 2 2 273.424 3.278 20 0 CGADLP c1cc2cccc(C[NH2+]Cc3c[nH+]c4n3CCC4)c2s1 ZINC000657500878 419295526 /nfs/dbraw/zinc/29/55/26/419295526.db2.gz NYCPTGGXSJQQCS-UHFFFAOYSA-N 2 2 283.400 3.334 20 0 CGADLP CC[N@H+](CCCNCc1[nH]c(C)c(C)[nH+]1)C1CCCCC1 ZINC000657500948 419295581 /nfs/dbraw/zinc/29/55/81/419295581.db2.gz QTKMEJYSIBJOGT-UHFFFAOYSA-N 2 2 292.471 3.161 20 0 CGADLP CC[N@@H+](CCCNCc1[nH]c(C)c(C)[nH+]1)C1CCCCC1 ZINC000657500948 419295582 /nfs/dbraw/zinc/29/55/82/419295582.db2.gz QTKMEJYSIBJOGT-UHFFFAOYSA-N 2 2 292.471 3.161 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC(F)(F)CC1 ZINC000657506187 419296508 /nfs/dbraw/zinc/29/65/08/419296508.db2.gz BHNWTOWZCDCJPL-NSHDSACASA-N 2 2 283.366 3.133 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000657525498 419297171 /nfs/dbraw/zinc/29/71/71/419297171.db2.gz XMDSRCHFCSXDGD-CQSZACIVSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000657525498 419297173 /nfs/dbraw/zinc/29/71/73/419297173.db2.gz XMDSRCHFCSXDGD-CQSZACIVSA-N 2 2 266.816 3.302 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000657523181 419297412 /nfs/dbraw/zinc/29/74/12/419297412.db2.gz FAJMECNDPVQWSC-CQSZACIVSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000657523181 419297414 /nfs/dbraw/zinc/29/74/14/419297414.db2.gz FAJMECNDPVQWSC-CQSZACIVSA-N 2 2 264.388 3.097 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525613 419298016 /nfs/dbraw/zinc/29/80/16/419298016.db2.gz ZIXWXLKXKJFXJJ-AWEZNQCLSA-N 2 2 278.465 3.371 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525613 419298018 /nfs/dbraw/zinc/29/80/18/419298018.db2.gz ZIXWXLKXKJFXJJ-AWEZNQCLSA-N 2 2 278.465 3.371 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000657526870 419298757 /nfs/dbraw/zinc/29/87/57/419298757.db2.gz NWKVFSJBYVTXBM-RGDDUWESSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000657526870 419298759 /nfs/dbraw/zinc/29/87/59/419298759.db2.gz NWKVFSJBYVTXBM-RGDDUWESSA-N 2 2 294.389 3.440 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+]1Cc1ccccc1 ZINC000657653438 419319191 /nfs/dbraw/zinc/31/91/91/419319191.db2.gz KWERZXSBTMOMST-YJBOKZPZSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+]1Cc1ccccc1 ZINC000657653438 419319193 /nfs/dbraw/zinc/31/91/93/419319193.db2.gz KWERZXSBTMOMST-YJBOKZPZSA-N 2 2 284.403 3.075 20 0 CGADLP Cc1c[nH]c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000657397196 419270422 /nfs/dbraw/zinc/27/04/22/419270422.db2.gz SPWLWUPRDORDAG-CYBMUJFWSA-N 2 2 295.390 3.063 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000356104435 228121928 /nfs/dbraw/zinc/12/19/28/228121928.db2.gz VJYXOYLQHVKJDB-HNNXBMFYSA-N 2 2 284.513 3.372 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000356104435 228121930 /nfs/dbraw/zinc/12/19/30/228121930.db2.gz VJYXOYLQHVKJDB-HNNXBMFYSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000657714388 419331866 /nfs/dbraw/zinc/33/18/66/419331866.db2.gz XRDLZQLSFDGWFN-OXXUSNJHSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000657714388 419331868 /nfs/dbraw/zinc/33/18/68/419331868.db2.gz XRDLZQLSFDGWFN-OXXUSNJHSA-N 2 2 270.420 3.147 20 0 CGADLP COc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)c1 ZINC000657779725 419346107 /nfs/dbraw/zinc/34/61/07/419346107.db2.gz UFEODDNXOBBIOS-UHFFFAOYSA-N 2 2 297.402 3.007 20 0 CGADLP CCOc1ccc(NCc2c(C)[nH+]c3ccccn32)[nH+]c1C ZINC000657793508 419357280 /nfs/dbraw/zinc/35/72/80/419357280.db2.gz WWHCDISEUOMDQP-UHFFFAOYSA-N 2 2 296.374 3.357 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]C2CC(CF)(CF)C2)[NH+](C)C)cc1 ZINC000657858972 419389953 /nfs/dbraw/zinc/38/99/53/419389953.db2.gz NJDXOCCXPXIYMZ-MRXNPFEDSA-N 2 2 296.405 3.275 20 0 CGADLP CCOC1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000657881354 419404830 /nfs/dbraw/zinc/40/48/30/419404830.db2.gz NAHOYYGIJRSTFL-CGZBRXJRSA-N 2 2 282.472 3.188 20 0 CGADLP CCOC1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000657881354 419404835 /nfs/dbraw/zinc/40/48/35/419404835.db2.gz NAHOYYGIJRSTFL-CGZBRXJRSA-N 2 2 282.472 3.188 20 0 CGADLP C[NH2+]C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000662243749 419369546 /nfs/dbraw/zinc/36/95/46/419369546.db2.gz JVGCYTDDWYFCHT-UHFFFAOYSA-N 2 2 284.856 3.116 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000657835980 419379292 /nfs/dbraw/zinc/37/92/92/419379292.db2.gz PRGFBERBJHWZEB-XNIRIUNOSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000657835980 419379295 /nfs/dbraw/zinc/37/92/95/419379295.db2.gz PRGFBERBJHWZEB-XNIRIUNOSA-N 2 2 282.472 3.187 20 0 CGADLP CCOC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000657847328 419385409 /nfs/dbraw/zinc/38/54/09/419385409.db2.gz BAPRQGXEFMTBEQ-UHFFFAOYSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657844300 419385664 /nfs/dbraw/zinc/38/56/64/419385664.db2.gz INVOQLHQYVIAHU-CYBMUJFWSA-N 2 2 284.394 3.388 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657844300 419385669 /nfs/dbraw/zinc/38/56/69/419385669.db2.gz INVOQLHQYVIAHU-CYBMUJFWSA-N 2 2 284.394 3.388 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657844302 419385870 /nfs/dbraw/zinc/38/58/70/419385870.db2.gz INVOQLHQYVIAHU-ZDUSSCGKSA-N 2 2 284.394 3.388 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C(C)(C)C(F)F ZINC000657844302 419385875 /nfs/dbraw/zinc/38/58/75/419385875.db2.gz INVOQLHQYVIAHU-ZDUSSCGKSA-N 2 2 284.394 3.388 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000658054584 419524227 /nfs/dbraw/zinc/52/42/27/419524227.db2.gz FJPAIOKHJPDTBP-YPMHNXCESA-N 2 2 252.427 3.272 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000658054584 419524238 /nfs/dbraw/zinc/52/42/38/419524238.db2.gz FJPAIOKHJPDTBP-YPMHNXCESA-N 2 2 252.427 3.272 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062450 419537829 /nfs/dbraw/zinc/53/78/29/419537829.db2.gz RSXXUJSYZQXEFS-NWDGAFQWSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062450 419537834 /nfs/dbraw/zinc/53/78/34/419537834.db2.gz RSXXUJSYZQXEFS-NWDGAFQWSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658091040 419564490 /nfs/dbraw/zinc/56/44/90/419564490.db2.gz KHJAPRUWUQRQBQ-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658091040 419564501 /nfs/dbraw/zinc/56/45/01/419564501.db2.gz KHJAPRUWUQRQBQ-HOCLYGCPSA-N 2 2 290.451 3.089 20 0 CGADLP Clc1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345024 419566143 /nfs/dbraw/zinc/56/61/43/419566143.db2.gz FTCVVOYSYVWRJY-GFCCVEGCSA-N 2 2 299.871 3.008 20 0 CGADLP Clc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663345024 419566148 /nfs/dbraw/zinc/56/61/48/419566148.db2.gz FTCVVOYSYVWRJY-GFCCVEGCSA-N 2 2 299.871 3.008 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658095026 419570729 /nfs/dbraw/zinc/57/07/29/419570729.db2.gz DIKGYIXAUPDNRA-WMLDXEAASA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658095026 419570735 /nfs/dbraw/zinc/57/07/35/419570735.db2.gz DIKGYIXAUPDNRA-WMLDXEAASA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000658094818 419570872 /nfs/dbraw/zinc/57/08/72/419570872.db2.gz BAHXYHICMGGABJ-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000658094818 419570877 /nfs/dbraw/zinc/57/08/77/419570877.db2.gz BAHXYHICMGGABJ-YYIAUSFCSA-N 2 2 294.483 3.044 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095522 419571684 /nfs/dbraw/zinc/57/16/84/419571684.db2.gz IUMHKRZHDAVGEW-XIRDDKMYSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095522 419571691 /nfs/dbraw/zinc/57/16/91/419571691.db2.gz IUMHKRZHDAVGEW-XIRDDKMYSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000663357859 419576685 /nfs/dbraw/zinc/57/66/85/419576685.db2.gz IUQZZKYSRMOSFB-MNOVXSKESA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C[N@H+]1C1CC1 ZINC000663357859 419576693 /nfs/dbraw/zinc/57/66/93/419576693.db2.gz IUQZZKYSRMOSFB-MNOVXSKESA-N 2 2 278.362 3.180 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658283880 419730548 /nfs/dbraw/zinc/73/05/48/419730548.db2.gz DOBWOCSWYDLIKO-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000658283880 419730555 /nfs/dbraw/zinc/73/05/55/419730555.db2.gz DOBWOCSWYDLIKO-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000658286163 419734171 /nfs/dbraw/zinc/73/41/71/419734171.db2.gz POVOFMSGUXPJOQ-JYJNAYRXSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000658286163 419734183 /nfs/dbraw/zinc/73/41/83/419734183.db2.gz POVOFMSGUXPJOQ-JYJNAYRXSA-N 2 2 250.430 3.029 20 0 CGADLP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1F ZINC000212497418 287627397 /nfs/dbraw/zinc/62/73/97/287627397.db2.gz ILXPSYPCOAJKPZ-ZDUSSCGKSA-N 2 2 291.370 3.162 20 0 CGADLP C[NH+](C)C1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179495011 260050714 /nfs/dbraw/zinc/05/07/14/260050714.db2.gz HOJIVWIUCIJCOE-ONEGZZNKSA-N 2 2 278.827 3.379 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000340288767 263105036 /nfs/dbraw/zinc/10/50/36/263105036.db2.gz MKMIOZZUNBKREH-RDBSUJKOSA-N 2 2 283.366 3.201 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1n1cc[nH+]c1 ZINC000340288767 263105037 /nfs/dbraw/zinc/10/50/37/263105037.db2.gz MKMIOZZUNBKREH-RDBSUJKOSA-N 2 2 283.366 3.201 20 0 CGADLP Clc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353278 270035370 /nfs/dbraw/zinc/03/53/70/270035370.db2.gz PJFNQBOPTVYLKU-UHFFFAOYSA-N 2 2 263.772 3.107 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045094636 270038122 /nfs/dbraw/zinc/03/81/22/270038122.db2.gz UXECIUPTWSRTHJ-AWEZNQCLSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1F)C[NH+]1CCCCC1 ZINC000107038507 270049126 /nfs/dbraw/zinc/04/91/26/270049126.db2.gz OYDLANNQGHJPIY-ZDUSSCGKSA-N 2 2 282.378 3.176 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255232 270065402 /nfs/dbraw/zinc/06/54/02/270065402.db2.gz VHRCCQMCSRHWIM-STQMWFEESA-N 2 2 281.469 3.259 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186255232 270065403 /nfs/dbraw/zinc/06/54/03/270065403.db2.gz VHRCCQMCSRHWIM-STQMWFEESA-N 2 2 281.469 3.259 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000227282003 270087160 /nfs/dbraw/zinc/08/71/60/270087160.db2.gz LJFGCOBLBWBOGW-HNNXBMFYSA-N 2 2 278.415 3.488 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000227282003 270087161 /nfs/dbraw/zinc/08/71/61/270087161.db2.gz LJFGCOBLBWBOGW-HNNXBMFYSA-N 2 2 278.415 3.488 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)c2)c[nH+]1 ZINC000527733108 270132777 /nfs/dbraw/zinc/13/27/77/270132777.db2.gz GTHHJNKOVPMFSQ-HZSPNIEDSA-N 2 2 287.432 3.460 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751458 270134559 /nfs/dbraw/zinc/13/45/59/270134559.db2.gz HTXLDAQHRJTMBG-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527751458 270134560 /nfs/dbraw/zinc/13/45/60/270134560.db2.gz HTXLDAQHRJTMBG-WBVHZDCISA-N 2 2 292.467 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527752778 270134609 /nfs/dbraw/zinc/13/46/09/270134609.db2.gz PLJPGNOFZFMCID-KBAYOESNSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527752778 270134610 /nfs/dbraw/zinc/13/46/10/270134610.db2.gz PLJPGNOFZFMCID-KBAYOESNSA-N 2 2 294.483 3.188 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000527804729 270137108 /nfs/dbraw/zinc/13/71/08/270137108.db2.gz AJEPMBMEUFYTMO-MRXNPFEDSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)[nH]1 ZINC000527804729 270137109 /nfs/dbraw/zinc/13/71/09/270137109.db2.gz AJEPMBMEUFYTMO-MRXNPFEDSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC1(C)C ZINC000527809736 270137673 /nfs/dbraw/zinc/13/76/73/270137673.db2.gz MYZBJIVIJHRHCL-CFVMTHIKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC1(C)C ZINC000527809736 270137674 /nfs/dbraw/zinc/13/76/74/270137674.db2.gz MYZBJIVIJHRHCL-CFVMTHIKSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC12CC2 ZINC000527846354 270139548 /nfs/dbraw/zinc/13/95/48/270139548.db2.gz FFEADIQIWZZVGT-YOEHRIQHSA-N 2 2 281.403 3.210 20 0 CGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952684 270146314 /nfs/dbraw/zinc/14/63/14/270146314.db2.gz VCFOVQNXALIBBU-RKTXRCNFSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952684 270146315 /nfs/dbraw/zinc/14/63/15/270146315.db2.gz VCFOVQNXALIBBU-RKTXRCNFSA-N 2 2 262.441 3.172 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527999154 270149901 /nfs/dbraw/zinc/14/99/01/270149901.db2.gz FNSYSZSQEAPGEE-HOCLYGCPSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527999154 270149902 /nfs/dbraw/zinc/14/99/02/270149902.db2.gz FNSYSZSQEAPGEE-HOCLYGCPSA-N 2 2 274.408 3.264 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000529668178 270187476 /nfs/dbraw/zinc/18/74/76/270187476.db2.gz DSHFNZBLQZEHMT-CRAIPNDOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000529668178 270187477 /nfs/dbraw/zinc/18/74/77/270187477.db2.gz DSHFNZBLQZEHMT-CRAIPNDOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)CCC2 ZINC000530221227 270196552 /nfs/dbraw/zinc/19/65/52/270196552.db2.gz OXHHTDJVLWRWPH-SUMWQHHRSA-N 2 2 270.420 3.111 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530218963 270196090 /nfs/dbraw/zinc/19/60/90/270196090.db2.gz KGFZBNVWZLZXQN-WBVHZDCISA-N 2 2 286.419 3.083 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C(C)C)c1 ZINC000530221430 270196586 /nfs/dbraw/zinc/19/65/86/270196586.db2.gz FIONNENSHJJCEY-RYQLBKOJSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000531682498 270208437 /nfs/dbraw/zinc/20/84/37/270208437.db2.gz JEKKNEKVCQSGEH-QFBILLFUSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000531682498 270208438 /nfs/dbraw/zinc/20/84/38/270208438.db2.gz JEKKNEKVCQSGEH-QFBILLFUSA-N 2 2 286.463 3.329 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531811323 270209881 /nfs/dbraw/zinc/20/98/81/270209881.db2.gz KECURMQGLFDAFO-DJDSVLOFSA-N 2 2 270.420 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531811323 270209882 /nfs/dbraw/zinc/20/98/82/270209882.db2.gz KECURMQGLFDAFO-DJDSVLOFSA-N 2 2 270.420 3.162 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000531938124 270210996 /nfs/dbraw/zinc/21/09/96/270210996.db2.gz LUEYAYAOSYVXCZ-NSHDSACASA-N 2 2 297.324 3.431 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000531938558 270211089 /nfs/dbraw/zinc/21/10/89/270211089.db2.gz PUNKYOXIYLERMD-QUCCMNQESA-N 2 2 294.442 3.436 20 0 CGADLP CCC(CC)(C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000531984669 270212485 /nfs/dbraw/zinc/21/24/85/270212485.db2.gz NFSWTPOTLWYIKX-NVXWUHKLSA-N 2 2 274.452 3.284 20 0 CGADLP CCC(CC)(C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000531984669 270212486 /nfs/dbraw/zinc/21/24/86/270212486.db2.gz NFSWTPOTLWYIKX-NVXWUHKLSA-N 2 2 274.452 3.284 20 0 CGADLP CCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000532232126 270214523 /nfs/dbraw/zinc/21/45/23/270214523.db2.gz ZQETUUKAPYPCBE-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296134 270215075 /nfs/dbraw/zinc/21/50/75/270215075.db2.gz JMPNFCSYCPGKDX-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296134 270215076 /nfs/dbraw/zinc/21/50/76/270215076.db2.gz JMPNFCSYCPGKDX-DOTOQJQBSA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000532502874 270216329 /nfs/dbraw/zinc/21/63/29/270216329.db2.gz UCNKJPBMMGPWSZ-QAPCUYQASA-N 2 2 274.452 3.282 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000532502874 270216330 /nfs/dbraw/zinc/21/63/30/270216330.db2.gz UCNKJPBMMGPWSZ-QAPCUYQASA-N 2 2 274.452 3.282 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000532511674 270216643 /nfs/dbraw/zinc/21/66/43/270216643.db2.gz RNIBZRNDGIKPBN-HZPDHXFCSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000532511674 270216644 /nfs/dbraw/zinc/21/66/44/270216644.db2.gz RNIBZRNDGIKPBN-HZPDHXFCSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532532278 270217191 /nfs/dbraw/zinc/21/71/91/270217191.db2.gz XRHJTAYUXZOISQ-ARFHVFGLSA-N 2 2 290.451 3.119 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532532278 270217192 /nfs/dbraw/zinc/21/71/92/270217192.db2.gz XRHJTAYUXZOISQ-ARFHVFGLSA-N 2 2 290.451 3.119 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049855416 274249151 /nfs/dbraw/zinc/24/91/51/274249151.db2.gz GSGUTUZJNPZCON-PBHICJAKSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000221804077 274316810 /nfs/dbraw/zinc/31/68/10/274316810.db2.gz AMYPFEFPARGSFG-VYDXJSESSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000183177439 274381232 /nfs/dbraw/zinc/38/12/32/274381232.db2.gz UUJOFGCITHBHKJ-RYRKJORJSA-N 2 2 299.418 3.124 20 0 CGADLP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000183177439 274381233 /nfs/dbraw/zinc/38/12/33/274381233.db2.gz UUJOFGCITHBHKJ-RYRKJORJSA-N 2 2 299.418 3.124 20 0 CGADLP CC(C)C[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000230766893 275599990 /nfs/dbraw/zinc/59/99/90/275599990.db2.gz ZJGZDUQUSPZRRN-CVEARBPZSA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000423232988 275749807 /nfs/dbraw/zinc/74/98/07/275749807.db2.gz CZHFCOFEGCYWKD-WRFANHODSA-N 2 2 260.425 3.444 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CS1 ZINC000488432434 276033588 /nfs/dbraw/zinc/03/35/88/276033588.db2.gz IPPYTGBXUJVEED-OWCLPIDISA-N 2 2 284.513 3.227 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427854606 276042504 /nfs/dbraw/zinc/04/25/04/276042504.db2.gz QSOHJCABIQSWAJ-SJORKVTESA-N 2 2 283.419 3.199 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336228395 276152219 /nfs/dbraw/zinc/15/22/19/276152219.db2.gz JSPHCSWVQRRZRF-ZDUSSCGKSA-N 2 2 298.352 3.165 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000156558770 276187801 /nfs/dbraw/zinc/18/78/01/276187801.db2.gz MHVRYPLFEQUWSZ-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000156558770 276187802 /nfs/dbraw/zinc/18/78/02/276187802.db2.gz MHVRYPLFEQUWSZ-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000417346011 276287306 /nfs/dbraw/zinc/28/73/06/276287306.db2.gz SVMRULPBFRLZNT-RDBSUJKOSA-N 2 2 261.413 3.002 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[C@@H]2C[C@@]21C)[NH+]1CCCCC1 ZINC000502285450 277303694 /nfs/dbraw/zinc/30/36/94/277303694.db2.gz NYFWNBRETHWSKP-VYDXJSESSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486751 277422378 /nfs/dbraw/zinc/42/23/78/277422378.db2.gz SZSDHLKQYUZTSC-UHFFFAOYSA-N 2 2 278.362 3.037 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000421830901 277472157 /nfs/dbraw/zinc/47/21/57/277472157.db2.gz KQKOFVBPVFNMDW-CABCVRRESA-N 2 2 291.439 3.088 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423230241 277917073 /nfs/dbraw/zinc/91/70/73/277917073.db2.gz DBFHNFLAUCKAHJ-WFASDCNBSA-N 2 2 268.351 3.004 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)c(C)c2c1 ZINC000423276181 278005491 /nfs/dbraw/zinc/00/54/91/278005491.db2.gz MOUBXRXVLUCUBX-ABAIWWIYSA-N 2 2 288.391 3.138 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@@H+]1C1CC1 ZINC000449195552 278029470 /nfs/dbraw/zinc/02/94/70/278029470.db2.gz ZISSOWHTRYANCV-YMSVYLFOSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@H+]1C1CC1 ZINC000449195552 278029472 /nfs/dbraw/zinc/02/94/72/278029472.db2.gz ZISSOWHTRYANCV-YMSVYLFOSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000396585977 288014393 /nfs/dbraw/zinc/01/43/93/288014393.db2.gz AHNLGRVWIMFVMU-CXAGYDPISA-N 2 2 254.377 3.070 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000397867984 288033051 /nfs/dbraw/zinc/03/30/51/288033051.db2.gz IFJGVNAAKBGKDI-DLBZAZTESA-N 2 2 272.436 3.397 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000397950808 288036249 /nfs/dbraw/zinc/03/62/49/288036249.db2.gz ZJVSSIIEXFDNSA-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000398064757 288038022 /nfs/dbraw/zinc/03/80/22/288038022.db2.gz CVELDWLFYUEGGC-DYVFJYSZSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000453191400 288066856 /nfs/dbraw/zinc/06/68/56/288066856.db2.gz IAMYCDZOLUDPFZ-KWCYVHTRSA-N 2 2 252.427 3.272 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000453191400 288066858 /nfs/dbraw/zinc/06/68/58/288066858.db2.gz IAMYCDZOLUDPFZ-KWCYVHTRSA-N 2 2 252.427 3.272 20 0 CGADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]cn1C(C)C ZINC000425377354 278788433 /nfs/dbraw/zinc/78/84/33/278788433.db2.gz GRKKJEDQVIPVLN-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423260233 278978262 /nfs/dbraw/zinc/97/82/62/278978262.db2.gz HAGHCCJPTDATMN-HIFRSBDPSA-N 2 2 271.408 3.259 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CCSC1 ZINC000459424270 288092065 /nfs/dbraw/zinc/09/20/65/288092065.db2.gz KEBGRVADKFYWFP-KRWDZBQOSA-N 2 2 290.476 3.091 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423133746 279062033 /nfs/dbraw/zinc/06/20/33/279062033.db2.gz WFEBTPYIKQWQEB-LNJQWEPBSA-N 2 2 298.361 3.382 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@]3(C)CC=CCC3)n2c1 ZINC000459745961 288101217 /nfs/dbraw/zinc/10/12/17/288101217.db2.gz FPHJYIJPQHLKQQ-MRXNPFEDSA-N 2 2 255.365 3.231 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000372745704 279275197 /nfs/dbraw/zinc/27/51/97/279275197.db2.gz BFLBYXJOHCFLCD-XWTMOSNGSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000372745704 279275198 /nfs/dbraw/zinc/27/51/98/279275198.db2.gz BFLBYXJOHCFLCD-XWTMOSNGSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359597512 279314358 /nfs/dbraw/zinc/31/43/58/279314358.db2.gz ZGPLUQOGPHJNLZ-UKRRQHHQSA-N 2 2 276.424 3.367 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359597512 279314359 /nfs/dbraw/zinc/31/43/59/279314359.db2.gz ZGPLUQOGPHJNLZ-UKRRQHHQSA-N 2 2 276.424 3.367 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464069765 279359950 /nfs/dbraw/zinc/35/99/50/279359950.db2.gz LLQNZJQZFTXWOA-DLBZAZTESA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000464069765 279359953 /nfs/dbraw/zinc/35/99/53/279359953.db2.gz LLQNZJQZFTXWOA-DLBZAZTESA-N 2 2 274.452 3.499 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ncc[nH]1 ZINC000367620098 279455404 /nfs/dbraw/zinc/45/54/04/279455404.db2.gz CBDRCABTGCIGHN-AWEZNQCLSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCCC1 ZINC000336608214 279550591 /nfs/dbraw/zinc/55/05/91/279550591.db2.gz IEJYTIBHXBQZPD-ZFWWWQNUSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000120687271 279655920 /nfs/dbraw/zinc/65/59/20/279655920.db2.gz VKXPGPCBOVPPMM-YJBOKZPZSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000527232937 288158861 /nfs/dbraw/zinc/15/88/61/288158861.db2.gz JYQVHQTZRTVAEF-FUHWJXTLSA-N 2 2 274.452 3.358 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000527232937 288158863 /nfs/dbraw/zinc/15/88/63/288158863.db2.gz JYQVHQTZRTVAEF-FUHWJXTLSA-N 2 2 274.452 3.358 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccc(F)c(F)c2)c[nH+]1 ZINC000527234269 288159251 /nfs/dbraw/zinc/15/92/51/288159251.db2.gz ZKLKORQPTHJKLX-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP c1cc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2[nH]1 ZINC000527723935 288192751 /nfs/dbraw/zinc/19/27/51/288192751.db2.gz CTDYNSSYIMJBQJ-WMZOPIPTSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2[nH]1 ZINC000527723935 288192752 /nfs/dbraw/zinc/19/27/52/288192752.db2.gz CTDYNSSYIMJBQJ-WMZOPIPTSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC12CC2 ZINC000527851907 288197398 /nfs/dbraw/zinc/19/73/98/288197398.db2.gz NLLMYEQYAXFJHW-OCCSQVGLSA-N 2 2 285.366 3.290 20 0 CGADLP C/C(Cl)=C/C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528515514 288204907 /nfs/dbraw/zinc/20/49/07/288204907.db2.gz HDNILLLWYBMYQH-JYOAFUTRSA-N 2 2 298.780 3.478 20 0 CGADLP C/C(Cl)=C/C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528515514 288204909 /nfs/dbraw/zinc/20/49/09/288204909.db2.gz HDNILLLWYBMYQH-JYOAFUTRSA-N 2 2 298.780 3.478 20 0 CGADLP C/C(Cl)=C\C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528515518 288204925 /nfs/dbraw/zinc/20/49/25/288204925.db2.gz HDNILLLWYBMYQH-QDEBKDIKSA-N 2 2 298.780 3.478 20 0 CGADLP C/C(Cl)=C\C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528515518 288204929 /nfs/dbraw/zinc/20/49/29/288204929.db2.gz HDNILLLWYBMYQH-QDEBKDIKSA-N 2 2 298.780 3.478 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc(C)c1 ZINC000353502424 280190268 /nfs/dbraw/zinc/19/02/68/280190268.db2.gz LEHASBBYOQWIDY-QZTJIDSGSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc(C)c1 ZINC000353502424 280190272 /nfs/dbraw/zinc/19/02/72/280190272.db2.gz LEHASBBYOQWIDY-QZTJIDSGSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccc1Br ZINC000423439229 280951853 /nfs/dbraw/zinc/95/18/53/280951853.db2.gz HTBRODPPUXFAGX-KWBADKCTSA-N 2 2 285.229 3.226 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)ccc1F ZINC000530213625 288300945 /nfs/dbraw/zinc/30/09/45/288300945.db2.gz AZQMXHORYYHVJU-IAGOWNOFSA-N 2 2 288.410 3.459 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353611945 281305625 /nfs/dbraw/zinc/30/56/25/281305625.db2.gz PRNHMDOKIFLVOU-XJKCOSOUSA-N 2 2 281.403 3.414 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353611945 281305627 /nfs/dbraw/zinc/30/56/27/281305627.db2.gz PRNHMDOKIFLVOU-XJKCOSOUSA-N 2 2 281.403 3.414 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194806 288354590 /nfs/dbraw/zinc/35/45/90/288354590.db2.gz KZGDYAISUADISW-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194806 288354591 /nfs/dbraw/zinc/35/45/91/288354591.db2.gz KZGDYAISUADISW-SWLSCSKDSA-N 2 2 280.843 3.157 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000532246177 288358476 /nfs/dbraw/zinc/35/84/76/288358476.db2.gz RTYQUKOOLCURIA-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C2CC2)c1 ZINC000532246177 288358478 /nfs/dbraw/zinc/35/84/78/288358478.db2.gz RTYQUKOOLCURIA-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1cnc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000538954854 288596385 /nfs/dbraw/zinc/59/63/85/288596385.db2.gz UVQQXOUTZVIYBC-CYBMUJFWSA-N 2 2 286.379 3.016 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000443214206 292689130 /nfs/dbraw/zinc/68/91/30/292689130.db2.gz KJJKONVIMWYNLU-LAQRGFTBSA-N 2 2 290.451 3.143 20 0 CGADLP c1cn(CCCC2CC[NH+](C3CCCC3)CC2)c[nH+]1 ZINC000543989049 288826356 /nfs/dbraw/zinc/82/63/56/288826356.db2.gz RRZHXAPBHOQHNS-UHFFFAOYSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC[N@@H+]1C ZINC000346321869 289060834 /nfs/dbraw/zinc/06/08/34/289060834.db2.gz FJWMPPWXJXBJNG-SLBVQIDZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC[N@H+]1C ZINC000346321869 289060839 /nfs/dbraw/zinc/06/08/39/289060839.db2.gz FJWMPPWXJXBJNG-SLBVQIDZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550648251 289080219 /nfs/dbraw/zinc/08/02/19/289080219.db2.gz ZVGSCYDRFNBGDU-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000550648251 289080220 /nfs/dbraw/zinc/08/02/20/289080220.db2.gz ZVGSCYDRFNBGDU-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000552146595 289168705 /nfs/dbraw/zinc/16/87/05/289168705.db2.gz PQRGSKDBQAEYMW-LAVFITLUSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000552146595 289168706 /nfs/dbraw/zinc/16/87/06/289168706.db2.gz PQRGSKDBQAEYMW-LAVFITLUSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000552956526 289203675 /nfs/dbraw/zinc/20/36/75/289203675.db2.gz CQXSIODNXFWOFZ-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000552956526 289203678 /nfs/dbraw/zinc/20/36/78/289203678.db2.gz CQXSIODNXFWOFZ-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[NH+](C)C)cc1F ZINC000554090807 289257665 /nfs/dbraw/zinc/25/76/65/289257665.db2.gz ZAJRCLZMXRGGLS-ZBFHGGJFSA-N 2 2 294.414 3.012 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000554348739 289272974 /nfs/dbraw/zinc/27/29/74/289272974.db2.gz FPVJSCOEOSYDQR-HOTGVXAUSA-N 2 2 294.508 3.126 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000337399618 289289115 /nfs/dbraw/zinc/28/91/15/289289115.db2.gz OZIVULRJCFELCU-SJORKVTESA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@H]1C ZINC000556413687 289390842 /nfs/dbraw/zinc/39/08/42/289390842.db2.gz QAXODUFHOKXWQB-MGPQQGTHSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556608951 289400728 /nfs/dbraw/zinc/40/07/28/289400728.db2.gz MSGWZDJSEAWRDU-AWEZNQCLSA-N 2 2 261.413 3.444 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556607790 289400793 /nfs/dbraw/zinc/40/07/93/289400793.db2.gz CGDRYIUJQZMPNB-NSHDSACASA-N 2 2 289.345 3.430 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000558252875 289482318 /nfs/dbraw/zinc/48/23/18/289482318.db2.gz AGTXVQODZJFOBL-YNEHKIRRSA-N 2 2 268.832 3.372 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+][C@H](C)C[NH3+] ZINC000423323644 295146680 /nfs/dbraw/zinc/14/66/80/295146680.db2.gz JYSDSRQTHPQUTE-BXUZGUMPSA-N 2 2 284.831 3.373 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc2)cc1 ZINC000423442324 295245741 /nfs/dbraw/zinc/24/57/41/295245741.db2.gz JWKDDURZAOSVMN-QWQRMKEZSA-N 2 2 284.403 3.110 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423230478 295385847 /nfs/dbraw/zinc/38/58/47/295385847.db2.gz DRRSOFIOSYWWDP-QAPCUYQASA-N 2 2 288.435 3.268 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCO2 ZINC000154617388 301210670 /nfs/dbraw/zinc/21/06/70/301210670.db2.gz UCUCDGIINMVHKM-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCO2 ZINC000154617388 301210672 /nfs/dbraw/zinc/21/06/72/301210672.db2.gz UCUCDGIINMVHKM-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000423532896 304855571 /nfs/dbraw/zinc/85/55/71/304855571.db2.gz RXGSAKUBISLGOF-GBESFXJTSA-N 2 2 278.399 3.019 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCn1cc[nH+]c1 ZINC000338151926 321967120 /nfs/dbraw/zinc/96/71/20/321967120.db2.gz LCNSFTHZANOEAC-JLHYYAGUSA-N 2 2 275.783 3.230 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000563669834 322005988 /nfs/dbraw/zinc/00/59/88/322005988.db2.gz GXRDMJKMEHEODX-BDXSIMOUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000563669834 322005989 /nfs/dbraw/zinc/00/59/89/322005989.db2.gz GXRDMJKMEHEODX-BDXSIMOUSA-N 2 2 294.483 3.188 20 0 CGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H](C)C[NH+](C)C ZINC000564414022 322030416 /nfs/dbraw/zinc/03/04/16/322030416.db2.gz FYFCAYNJOWXDJX-SUIFULHWSA-N 2 2 298.377 3.231 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CC(c3ccccc3)C2)n1C ZINC000565237746 322068929 /nfs/dbraw/zinc/06/89/29/322068929.db2.gz KYTVEJWCOWQZLT-UHFFFAOYSA-N 2 2 269.392 3.012 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)n1C ZINC000565241316 322069175 /nfs/dbraw/zinc/06/91/75/322069175.db2.gz CDQXFAITNRMFPL-JTQLQIEISA-N 2 2 263.772 3.233 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3c2cccc3Cl)n1C ZINC000566496934 322127137 /nfs/dbraw/zinc/12/71/37/322127137.db2.gz PXFUGKRYOKANTL-OAHLLOKOSA-N 2 2 275.783 3.159 20 0 CGADLP COc1ccc([C@@H](C)CC[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000566690358 322134745 /nfs/dbraw/zinc/13/47/45/322134745.db2.gz NVSMEBSZMPNWKG-ZDUSSCGKSA-N 2 2 287.407 3.021 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000567364305 322160734 /nfs/dbraw/zinc/16/07/34/322160734.db2.gz GCNZGEFKUGJMMR-HNNXBMFYSA-N 2 2 289.448 3.497 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000567364305 322160735 /nfs/dbraw/zinc/16/07/35/322160735.db2.gz GCNZGEFKUGJMMR-HNNXBMFYSA-N 2 2 289.448 3.497 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000567403782 322162094 /nfs/dbraw/zinc/16/20/94/322162094.db2.gz SWQVLMOGPVGZSC-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000567403782 322162096 /nfs/dbraw/zinc/16/20/96/322162096.db2.gz SWQVLMOGPVGZSC-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP COCCCCc1ccc[nH+]c1NCc1[nH]c(C)c(C)[nH+]1 ZINC000567628220 322171417 /nfs/dbraw/zinc/17/14/17/322171417.db2.gz MRVCRZNMWOIQSN-UHFFFAOYSA-N 2 2 288.395 3.003 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)n1C ZINC000568273296 322202695 /nfs/dbraw/zinc/20/26/95/322202695.db2.gz QFQQKDAPLMIZAU-LBPRGKRZSA-N 2 2 269.392 3.457 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000568367930 322206433 /nfs/dbraw/zinc/20/64/33/322206433.db2.gz XWGJSZHBJAIORK-HNNXBMFYSA-N 2 2 287.407 3.331 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000569474237 322248354 /nfs/dbraw/zinc/24/83/54/322248354.db2.gz MUSBVUUDPKALOG-WFASDCNBSA-N 2 2 273.380 3.470 20 0 CGADLP C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000569634702 322252741 /nfs/dbraw/zinc/25/27/41/322252741.db2.gz YYXOWRXGIVFVQL-HNAYVOBHSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000569634702 322252742 /nfs/dbraw/zinc/25/27/42/322252742.db2.gz YYXOWRXGIVFVQL-HNAYVOBHSA-N 2 2 295.430 3.181 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000569689589 322254414 /nfs/dbraw/zinc/25/44/14/322254414.db2.gz NLXAEMHRPDUBNS-GOSISDBHSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000569689589 322254415 /nfs/dbraw/zinc/25/44/15/322254415.db2.gz NLXAEMHRPDUBNS-GOSISDBHSA-N 2 2 299.418 3.180 20 0 CGADLP C[C@H]([NH2+]C1(C[NH2+]CC(C)(C)O)CCCC1)c1ccccc1 ZINC000569920706 322260477 /nfs/dbraw/zinc/26/04/77/322260477.db2.gz JZRNJEXUJRWSDE-HNNXBMFYSA-N 2 2 290.451 3.011 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128044 322265391 /nfs/dbraw/zinc/26/53/91/322265391.db2.gz RWQBYTGNSCFFSU-YPMHNXCESA-N 2 2 266.454 3.357 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC000570128044 322265393 /nfs/dbraw/zinc/26/53/93/322265393.db2.gz RWQBYTGNSCFFSU-YPMHNXCESA-N 2 2 266.454 3.357 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570556231 322276530 /nfs/dbraw/zinc/27/65/30/322276530.db2.gz WRTHCRHWNYKRQQ-GDBMZVCRSA-N 2 2 283.419 3.126 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570556231 322276532 /nfs/dbraw/zinc/27/65/32/322276532.db2.gz WRTHCRHWNYKRQQ-GDBMZVCRSA-N 2 2 283.419 3.126 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000571469469 322299832 /nfs/dbraw/zinc/29/98/32/322299832.db2.gz YBBOAQFVHJUOHX-HOTGVXAUSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(Cl)c(C)c2)n1C ZINC000572058658 322317722 /nfs/dbraw/zinc/31/77/22/322317722.db2.gz CVVJBBQFOQZFQO-UHFFFAOYSA-N 2 2 277.799 3.023 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)CCc2ccccc2)n1C ZINC000572498318 322340759 /nfs/dbraw/zinc/34/07/59/322340759.db2.gz OUBYLPZUMSHYAE-UHFFFAOYSA-N 2 2 271.408 3.230 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000573100786 322370150 /nfs/dbraw/zinc/37/01/50/322370150.db2.gz AVXKMCKBLCATLD-HNNXBMFYSA-N 2 2 289.448 3.424 20 0 CGADLP CC[C@H]1c2ccsc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000573100786 322370152 /nfs/dbraw/zinc/37/01/52/322370152.db2.gz AVXKMCKBLCATLD-HNNXBMFYSA-N 2 2 289.448 3.424 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000573100788 322370555 /nfs/dbraw/zinc/37/05/55/322370555.db2.gz AVXKMCKBLCATLD-OAHLLOKOSA-N 2 2 289.448 3.424 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000573100788 322370557 /nfs/dbraw/zinc/37/05/57/322370557.db2.gz AVXKMCKBLCATLD-OAHLLOKOSA-N 2 2 289.448 3.424 20 0 CGADLP Cc1ccccc1C[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000573650642 322398820 /nfs/dbraw/zinc/39/88/20/322398820.db2.gz NIOPDAYFJTYVNP-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP Cc1ccccc1C[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000573650642 322398824 /nfs/dbraw/zinc/39/88/24/322398824.db2.gz NIOPDAYFJTYVNP-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(n1)CCC2)C(C)C ZINC000582771024 329160600 /nfs/dbraw/zinc/16/06/00/329160600.db2.gz NRLAPHOYVCONFP-UHFFFAOYSA-N 2 2 289.467 3.169 20 0 CGADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000582898963 329282911 /nfs/dbraw/zinc/28/29/11/329282911.db2.gz GIYCDEVBVNKYPK-SJLPKXTDSA-N 2 2 298.434 3.047 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000576436607 335203335 /nfs/dbraw/zinc/20/33/35/335203335.db2.gz XPQUCLFQAFUQMR-NZUILWFCSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000576436607 335203337 /nfs/dbraw/zinc/20/33/37/335203337.db2.gz XPQUCLFQAFUQMR-NZUILWFCSA-N 2 2 281.403 3.049 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000577493177 335358914 /nfs/dbraw/zinc/35/89/14/335358914.db2.gz WMGUDXDHGRUTKT-NSHDSACASA-N 2 2 293.461 3.042 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000577493177 335358916 /nfs/dbraw/zinc/35/89/16/335358916.db2.gz WMGUDXDHGRUTKT-NSHDSACASA-N 2 2 293.461 3.042 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177724912 335382366 /nfs/dbraw/zinc/38/23/66/335382366.db2.gz DKEPHXNWWPTTDB-HNNXBMFYSA-N 2 2 284.403 3.379 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177724912 335382367 /nfs/dbraw/zinc/38/23/67/335382367.db2.gz DKEPHXNWWPTTDB-HNNXBMFYSA-N 2 2 284.403 3.379 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177724925 335382432 /nfs/dbraw/zinc/38/24/32/335382432.db2.gz DKEPHXNWWPTTDB-OAHLLOKOSA-N 2 2 284.403 3.379 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccoc1 ZINC000177724925 335382434 /nfs/dbraw/zinc/38/24/34/335382434.db2.gz DKEPHXNWWPTTDB-OAHLLOKOSA-N 2 2 284.403 3.379 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2c(F)cccc2Cl)n1C ZINC000578787160 335675544 /nfs/dbraw/zinc/67/55/44/335675544.db2.gz FEGBNGDTPHHCOV-SECBINFHSA-N 2 2 281.762 3.372 20 0 CGADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1c[nH+]ccc1N ZINC000579822667 335894188 /nfs/dbraw/zinc/89/41/88/335894188.db2.gz GEESFWYEIBGWCG-MDZLAQPJSA-N 2 2 271.364 3.061 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cn2ccccc2n1 ZINC000580783868 335966564 /nfs/dbraw/zinc/96/65/64/335966564.db2.gz NLLVAQQGLJPABS-CQSZACIVSA-N 2 2 298.434 3.002 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CCCC[NH2+]1 ZINC000386072828 336165842 /nfs/dbraw/zinc/16/58/42/336165842.db2.gz FSQRUXDVZHWKQT-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423433502 533721670 /nfs/dbraw/zinc/72/16/70/533721670.db2.gz RNLPDFLJVOFFLO-CZUORRHYSA-N 2 2 260.425 3.288 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379555 533884853 /nfs/dbraw/zinc/88/48/53/533884853.db2.gz VPMDCVXYJJDIHH-LERXQTSPSA-N 2 2 282.815 3.269 20 0 CGADLP COc1cc(F)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000449011255 533996235 /nfs/dbraw/zinc/99/62/35/533996235.db2.gz YJHBOUQDDLHNGA-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cc(F)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000449011255 533996241 /nfs/dbraw/zinc/99/62/41/533996241.db2.gz YJHBOUQDDLHNGA-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378119 533992082 /nfs/dbraw/zinc/99/20/82/533992082.db2.gz JRDUKVWWYIRQKY-YZVOILCLSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378119 533992087 /nfs/dbraw/zinc/99/20/87/533992087.db2.gz JRDUKVWWYIRQKY-YZVOILCLSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000449156012 534258775 /nfs/dbraw/zinc/25/87/75/534258775.db2.gz RDXUBHXPVKSSPO-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449156012 534258776 /nfs/dbraw/zinc/25/87/76/534258776.db2.gz RDXUBHXPVKSSPO-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423234269 534428079 /nfs/dbraw/zinc/42/80/79/534428079.db2.gz FKMYGPGJNWIFET-ROUUACIJSA-N 2 2 296.414 3.498 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423276586 534429635 /nfs/dbraw/zinc/42/96/35/534429635.db2.gz NEXJVYWQWMGFDA-HNNXBMFYSA-N 2 2 275.440 3.353 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000358060713 534444129 /nfs/dbraw/zinc/44/41/29/534444129.db2.gz KSIMPOLHWOPPHU-LERXQTSPSA-N 2 2 296.867 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000358060713 534444131 /nfs/dbraw/zinc/44/41/31/534444131.db2.gz KSIMPOLHWOPPHU-LERXQTSPSA-N 2 2 296.867 3.417 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000358060715 534440136 /nfs/dbraw/zinc/44/01/36/534440136.db2.gz KSIMPOLHWOPPHU-SWHYSGLUSA-N 2 2 296.867 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000358060715 534440144 /nfs/dbraw/zinc/44/01/44/534440144.db2.gz KSIMPOLHWOPPHU-SWHYSGLUSA-N 2 2 296.867 3.417 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423380149 534481144 /nfs/dbraw/zinc/48/11/44/534481144.db2.gz GZLXRMACKWHCHR-CHWSQXEVSA-N 2 2 266.454 3.485 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000155588138 524406952 /nfs/dbraw/zinc/40/69/52/524406952.db2.gz PNELYEIZWVAAQQ-QAPCUYQASA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000151544425 524828972 /nfs/dbraw/zinc/82/89/72/524828972.db2.gz TYCIIUJVISUPCE-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000061626919 524901894 /nfs/dbraw/zinc/90/18/94/524901894.db2.gz BBDRKHNGCVBFGV-CMPLNLGQSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000061626919 524901902 /nfs/dbraw/zinc/90/19/02/524901902.db2.gz BBDRKHNGCVBFGV-CMPLNLGQSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151724453 525522427 /nfs/dbraw/zinc/52/24/27/525522427.db2.gz ZCMVBMBVYHRFED-GJZGRUSLSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027512 526060317 /nfs/dbraw/zinc/06/03/17/526060317.db2.gz OBOWQDQHJUIGLS-JQWIXIFHSA-N 2 2 288.313 3.069 20 0 CGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027512 526060323 /nfs/dbraw/zinc/06/03/23/526060323.db2.gz OBOWQDQHJUIGLS-JQWIXIFHSA-N 2 2 288.313 3.069 20 0 CGADLP c1ccc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000157356069 526519682 /nfs/dbraw/zinc/51/96/82/526519682.db2.gz LNDZZFBWXPRSCR-HNNXBMFYSA-N 2 2 299.418 3.278 20 0 CGADLP c1ccc2oc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000157356069 526519686 /nfs/dbraw/zinc/51/96/86/526519686.db2.gz LNDZZFBWXPRSCR-HNNXBMFYSA-N 2 2 299.418 3.278 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336883 527755157 /nfs/dbraw/zinc/75/51/57/527755157.db2.gz MGCVMFLXKYQMNP-SUMWQHHRSA-N 2 2 296.405 3.435 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336883 527755161 /nfs/dbraw/zinc/75/51/61/527755161.db2.gz MGCVMFLXKYQMNP-SUMWQHHRSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336883 527755164 /nfs/dbraw/zinc/75/51/64/527755164.db2.gz MGCVMFLXKYQMNP-SUMWQHHRSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(F)cc(C)cc2F)[C@@H](C)C1 ZINC000425336883 527755168 /nfs/dbraw/zinc/75/51/68/527755168.db2.gz MGCVMFLXKYQMNP-SUMWQHHRSA-N 2 2 296.405 3.435 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccoc1 ZINC000414128416 527808113 /nfs/dbraw/zinc/80/81/13/527808113.db2.gz RXBRAUQQHPLORY-MRXNPFEDSA-N 2 2 275.396 3.323 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2F)C1 ZINC000449037649 527839271 /nfs/dbraw/zinc/83/92/71/527839271.db2.gz NUJOYQAYTOUVQW-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)c2F)C1 ZINC000449037649 527839277 /nfs/dbraw/zinc/83/92/77/527839277.db2.gz NUJOYQAYTOUVQW-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2F)C1 ZINC000449037649 527839289 /nfs/dbraw/zinc/83/92/89/527839289.db2.gz NUJOYQAYTOUVQW-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC000449037649 527839291 /nfs/dbraw/zinc/83/92/91/527839291.db2.gz NUJOYQAYTOUVQW-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccccc1 ZINC000177345572 527900115 /nfs/dbraw/zinc/90/01/15/527900115.db2.gz UKQMJNNSFZZURJ-CVEARBPZSA-N 2 2 290.476 3.337 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCSc1ccccc1 ZINC000177345572 527900123 /nfs/dbraw/zinc/90/01/23/527900123.db2.gz UKQMJNNSFZZURJ-CVEARBPZSA-N 2 2 290.476 3.337 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccccc1 ZINC000177345572 527900131 /nfs/dbraw/zinc/90/01/31/527900131.db2.gz UKQMJNNSFZZURJ-CVEARBPZSA-N 2 2 290.476 3.337 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCSc1ccccc1 ZINC000177345572 527900133 /nfs/dbraw/zinc/90/01/33/527900133.db2.gz UKQMJNNSFZZURJ-CVEARBPZSA-N 2 2 290.476 3.337 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000358286305 528117397 /nfs/dbraw/zinc/11/73/97/528117397.db2.gz ZBLXSBZJYCRWSI-UHFFFAOYSA-N 2 2 288.410 3.313 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000358286305 528117400 /nfs/dbraw/zinc/11/74/00/528117400.db2.gz ZBLXSBZJYCRWSI-UHFFFAOYSA-N 2 2 288.410 3.313 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427579582 528138511 /nfs/dbraw/zinc/13/85/11/528138511.db2.gz UYWDVVAHCOMWQQ-QGZVFWFLSA-N 2 2 262.441 3.185 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368092426 528142402 /nfs/dbraw/zinc/14/24/02/528142402.db2.gz KAQPPAMDHIUWRT-WMLDXEAASA-N 2 2 296.418 3.349 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423231338 528164684 /nfs/dbraw/zinc/16/46/84/528164684.db2.gz GJAOMTJZSJUZBK-GOEBONIOSA-N 2 2 276.424 3.124 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358230759 528208989 /nfs/dbraw/zinc/20/89/89/528208989.db2.gz YSUQMORBWRBWSS-ZQIUZPCESA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358230759 528208994 /nfs/dbraw/zinc/20/89/94/528208994.db2.gz YSUQMORBWRBWSS-ZQIUZPCESA-N 2 2 276.424 3.075 20 0 CGADLP CCCCC[C@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331274 528275019 /nfs/dbraw/zinc/27/50/19/528275019.db2.gz CHYOSTBBSSDEMP-AWEZNQCLSA-N 2 2 278.444 3.031 20 0 CGADLP CCCCC[C@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425331274 528275021 /nfs/dbraw/zinc/27/50/21/528275021.db2.gz CHYOSTBBSSDEMP-AWEZNQCLSA-N 2 2 278.444 3.031 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423247545 528359941 /nfs/dbraw/zinc/35/99/41/528359941.db2.gz QKBYHGWJRSNSCU-SJLPKXTDSA-N 2 2 283.419 3.458 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000423371928 528422276 /nfs/dbraw/zinc/42/22/76/528422276.db2.gz GBVIDZZETOYNIK-KGLIPLIRSA-N 2 2 286.419 3.497 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1SC ZINC000423370990 528423555 /nfs/dbraw/zinc/42/35/55/528423555.db2.gz ABYPSLYIFBFOEA-VXGBXAGGSA-N 2 2 252.427 3.057 20 0 CGADLP CC[N@H+](CCCNc1cc[nH+]c(C)c1)c1ccccc1 ZINC000358147871 528451357 /nfs/dbraw/zinc/45/13/57/528451357.db2.gz CNYZXUDARWIBCJ-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP CC[N@@H+](CCCNc1cc[nH+]c(C)c1)c1ccccc1 ZINC000358147871 528451361 /nfs/dbraw/zinc/45/13/61/528451361.db2.gz CNYZXUDARWIBCJ-UHFFFAOYSA-N 2 2 269.392 3.140 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276465 528476058 /nfs/dbraw/zinc/47/60/58/528476058.db2.gz MWXIONTZFKWRQZ-IINYFYTJSA-N 2 2 282.815 3.127 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423313473 528513251 /nfs/dbraw/zinc/51/32/51/528513251.db2.gz UIRBOJPPGDGTHU-ZDUSSCGKSA-N 2 2 252.377 3.093 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000423305181 528517099 /nfs/dbraw/zinc/51/70/99/528517099.db2.gz BHHRLPGNONYLOD-CYBMUJFWSA-N 2 2 286.366 3.328 20 0 CGADLP CCCc1csc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)n1 ZINC000426416436 528659753 /nfs/dbraw/zinc/65/97/53/528659753.db2.gz IPDQHTIMNXTNQB-HIFRSBDPSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)n1 ZINC000426416436 528659757 /nfs/dbraw/zinc/65/97/57/528659757.db2.gz IPDQHTIMNXTNQB-HIFRSBDPSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000426416436 528659760 /nfs/dbraw/zinc/65/97/60/528659760.db2.gz IPDQHTIMNXTNQB-HIFRSBDPSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000426416436 528659766 /nfs/dbraw/zinc/65/97/66/528659766.db2.gz IPDQHTIMNXTNQB-HIFRSBDPSA-N 2 2 295.496 3.258 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])oc21 ZINC000423451755 528701074 /nfs/dbraw/zinc/70/10/74/528701074.db2.gz VHLFAPWSTNPIPO-UTUOFQBUSA-N 2 2 276.380 3.218 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423297671 528822456 /nfs/dbraw/zinc/82/24/56/528822456.db2.gz LHORTLNYUHBVJV-GXTWGEPZSA-N 2 2 282.428 3.470 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1sc(CC)nc1C ZINC000423304942 528823586 /nfs/dbraw/zinc/82/35/86/528823586.db2.gz ZSJIVSFMBNKIHB-PWSUYJOCSA-N 2 2 269.458 3.182 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423286383 528952604 /nfs/dbraw/zinc/95/26/04/528952604.db2.gz GYEURUMKUUENCZ-SNVBAGLBSA-N 2 2 256.340 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000359592150 529081998 /nfs/dbraw/zinc/08/19/98/529081998.db2.gz QTDOTPRLUJACTN-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000359592150 529082002 /nfs/dbraw/zinc/08/20/02/529082002.db2.gz QTDOTPRLUJACTN-GXTWGEPZSA-N 2 2 278.465 3.372 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000423287116 529166201 /nfs/dbraw/zinc/16/62/01/529166201.db2.gz KJHMWRIJOQLPKX-QGZVFWFLSA-N 2 2 275.440 3.435 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196453 529257862 /nfs/dbraw/zinc/25/78/62/529257862.db2.gz VJMDWCRJPWIOLD-OLZOCXBDSA-N 2 2 264.438 3.201 20 0 CGADLP CC[C@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(C)cs1 ZINC000089615731 529370401 /nfs/dbraw/zinc/37/04/01/529370401.db2.gz TXXKEQWNYGGODN-ZFWWWQNUSA-N 2 2 281.469 3.151 20 0 CGADLP CC[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(C)cs1 ZINC000089615731 529370403 /nfs/dbraw/zinc/37/04/03/529370403.db2.gz TXXKEQWNYGGODN-ZFWWWQNUSA-N 2 2 281.469 3.151 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](COC)C(C)C)[NH+]1CCCC1 ZINC000480560810 535147252 /nfs/dbraw/zinc/14/72/52/535147252.db2.gz VVOHRGDGLYJNFR-SJORKVTESA-N 2 2 284.488 3.148 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000494306007 535448619 /nfs/dbraw/zinc/44/86/19/535448619.db2.gz BQSOBLLOWKZEQT-UHFFFAOYSA-N 2 2 281.469 3.058 20 0 CGADLP CCCc1csc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000494331866 535451321 /nfs/dbraw/zinc/45/13/21/535451321.db2.gz PGHMRQYGDUZHOW-CQSZACIVSA-N 2 2 295.496 3.307 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313254597 535704963 /nfs/dbraw/zinc/70/49/63/535704963.db2.gz PVMYXEBBGXKONP-INIZCTEOSA-N 2 2 257.381 3.094 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904563 535819948 /nfs/dbraw/zinc/81/99/48/535819948.db2.gz GYIAKBVZBJMRQN-IXDOHACOSA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422904563 535819949 /nfs/dbraw/zinc/81/99/49/535819949.db2.gz GYIAKBVZBJMRQN-IXDOHACOSA-N 3 2 295.515 3.137 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459500341 536351447 /nfs/dbraw/zinc/35/14/47/536351447.db2.gz GTXAZPONOCSYAQ-CQSZACIVSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000459500341 536351449 /nfs/dbraw/zinc/35/14/49/536351449.db2.gz GTXAZPONOCSYAQ-CQSZACIVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000199980837 571976887 /nfs/dbraw/zinc/97/68/87/571976887.db2.gz PJNLABFGIRIMKX-YJBOKZPZSA-N 2 2 268.404 3.297 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000741754658 572522860 /nfs/dbraw/zinc/52/28/60/572522860.db2.gz UWJRGISSYSDHJA-INIZCTEOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCCCCCCO)C1 ZINC000744395349 572748876 /nfs/dbraw/zinc/74/88/76/572748876.db2.gz WBVXUNHMRGUIGF-FGTMMUONSA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCCCCCCO)C1 ZINC000744395349 572748881 /nfs/dbraw/zinc/74/88/81/572748881.db2.gz WBVXUNHMRGUIGF-FGTMMUONSA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000744395349 572748885 /nfs/dbraw/zinc/74/88/85/572748885.db2.gz WBVXUNHMRGUIGF-FGTMMUONSA-N 2 2 296.499 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000744395349 572748889 /nfs/dbraw/zinc/74/88/89/572748889.db2.gz WBVXUNHMRGUIGF-FGTMMUONSA-N 2 2 296.499 3.266 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797973 573179966 /nfs/dbraw/zinc/17/99/66/573179966.db2.gz AYDPPUFTXCGYTP-GHMZBOCLSA-N 2 2 287.860 3.101 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797973 573179970 /nfs/dbraw/zinc/17/99/70/573179970.db2.gz AYDPPUFTXCGYTP-GHMZBOCLSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797973 573179976 /nfs/dbraw/zinc/17/99/76/573179976.db2.gz AYDPPUFTXCGYTP-GHMZBOCLSA-N 2 2 287.860 3.101 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(Cl)s2)C[C@H]1C ZINC000750797973 573179982 /nfs/dbraw/zinc/17/99/82/573179982.db2.gz AYDPPUFTXCGYTP-GHMZBOCLSA-N 2 2 287.860 3.101 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932906348 618080389 /nfs/dbraw/zinc/08/03/89/618080389.db2.gz WVEHIYFQXVOOCI-KRWDZBQOSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932906348 618080392 /nfs/dbraw/zinc/08/03/92/618080392.db2.gz WVEHIYFQXVOOCI-KRWDZBQOSA-N 2 2 283.419 3.460 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]1 ZINC000926368022 618568267 /nfs/dbraw/zinc/56/82/67/618568267.db2.gz PVKBUPNRKDRYMB-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH]1 ZINC000926368022 618568272 /nfs/dbraw/zinc/56/82/72/618568272.db2.gz PVKBUPNRKDRYMB-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892568333 618864291 /nfs/dbraw/zinc/86/42/91/618864291.db2.gz YOPAKZIACXSSBP-GFCCVEGCSA-N 2 2 275.396 3.260 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])C12CCC2 ZINC000925519082 619012032 /nfs/dbraw/zinc/01/20/32/619012032.db2.gz RZQWIKPIALKPDM-QMCVQRASSA-N 2 2 288.435 3.012 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000925773537 619235027 /nfs/dbraw/zinc/23/50/27/619235027.db2.gz ZIYZOFFYOHHFEJ-NEPJUHHUSA-N 2 2 258.818 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc2ccccc2o1 ZINC000925780471 619242696 /nfs/dbraw/zinc/24/26/96/619242696.db2.gz SPUOIFZMOGRDAJ-AAEUAGOBSA-N 2 2 294.345 3.328 20 0 CGADLP CCCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000236878442 619299751 /nfs/dbraw/zinc/29/97/51/619299751.db2.gz OZYACYGYYIMHEQ-HNNXBMFYSA-N 2 2 287.407 3.098 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000252429012 619390688 /nfs/dbraw/zinc/39/06/88/619390688.db2.gz MGANJSFKOBAFMD-BFHYXJOUSA-N 2 2 251.418 3.322 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925041240 619507644 /nfs/dbraw/zinc/50/76/44/619507644.db2.gz JJAGTPGRDAVHBC-SJLPKXTDSA-N 2 2 289.467 3.114 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000925041240 619507646 /nfs/dbraw/zinc/50/76/46/619507646.db2.gz JJAGTPGRDAVHBC-SJLPKXTDSA-N 2 2 289.467 3.114 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131509 619551226 /nfs/dbraw/zinc/55/12/26/619551226.db2.gz BYKYDPIVCLGNCZ-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131509 619551228 /nfs/dbraw/zinc/55/12/28/619551228.db2.gz BYKYDPIVCLGNCZ-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC000880131509 619551230 /nfs/dbraw/zinc/55/12/30/619551230.db2.gz BYKYDPIVCLGNCZ-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCCC1 ZINC000880131509 619551232 /nfs/dbraw/zinc/55/12/32/619551232.db2.gz BYKYDPIVCLGNCZ-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1[nH+]cn(-c2ccc(NCC3CC[NH+](C)CC3)cc2)c1C ZINC000894571316 619578547 /nfs/dbraw/zinc/57/85/47/619578547.db2.gz OEAIAVRXJBBCPF-UHFFFAOYSA-N 2 2 298.434 3.243 20 0 CGADLP COCC1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000895706511 619873436 /nfs/dbraw/zinc/87/34/36/619873436.db2.gz MIUKAQUJELAWAY-QGZVFWFLSA-N 2 2 299.418 3.031 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000896025007 619930849 /nfs/dbraw/zinc/93/08/49/619930849.db2.gz DLIIFHHLPJLPIG-UHFFFAOYSA-N 2 2 299.462 3.021 20 0 CGADLP Cc1ccoc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194434 619966051 /nfs/dbraw/zinc/96/60/51/619966051.db2.gz AIEVPYUMMSQKAL-UHFFFAOYSA-N 2 2 271.364 3.060 20 0 CGADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]c3ccccc31)C2 ZINC000896660207 620042013 /nfs/dbraw/zinc/04/20/13/620042013.db2.gz VRENMBAUXYUZDU-UHFFFAOYSA-N 2 2 278.359 3.014 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000897480239 620347527 /nfs/dbraw/zinc/34/75/27/620347527.db2.gz UKYUSIYJKWADHW-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897480239 620347528 /nfs/dbraw/zinc/34/75/28/620347528.db2.gz UKYUSIYJKWADHW-CYBMUJFWSA-N 2 2 296.842 3.311 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000898307675 620509767 /nfs/dbraw/zinc/50/97/67/620509767.db2.gz DYTSECADIWLSAT-UHFFFAOYSA-N 2 2 273.424 3.188 20 0 CGADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000898307675 620509771 /nfs/dbraw/zinc/50/97/71/620509771.db2.gz DYTSECADIWLSAT-UHFFFAOYSA-N 2 2 273.424 3.188 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]CC3([NH3+])CC3)oc2cc1C ZINC000902418019 621310360 /nfs/dbraw/zinc/31/03/60/621310360.db2.gz UJUAUMOOUJIFPN-LBPRGKRZSA-N 2 2 258.365 3.192 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435290 621317987 /nfs/dbraw/zinc/31/79/87/621317987.db2.gz AVNSXZZYNSSKJN-GDIGMMSISA-N 2 2 280.415 3.140 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(-c2ccncc2)c1 ZINC000902449205 621328911 /nfs/dbraw/zinc/32/89/11/621328911.db2.gz MPCHJZCRSUQZFX-RDTXWAMCSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000902486288 621354828 /nfs/dbraw/zinc/35/48/28/621354828.db2.gz CZGRZMNJLPHQGG-DOTOQJQBSA-N 2 2 298.434 3.055 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000902720065 621408924 /nfs/dbraw/zinc/40/89/24/621408924.db2.gz DCOOQFLEFGHFAR-RDTXWAMCSA-N 2 2 299.418 3.195 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902780829 621438096 /nfs/dbraw/zinc/43/80/96/621438096.db2.gz URHDLKGKMZUKJO-GHMZBOCLSA-N 2 2 289.345 3.091 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CCC1 ZINC000902962842 621506768 /nfs/dbraw/zinc/50/67/68/621506768.db2.gz AKOWJWIPEGDXQG-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000903012981 621533909 /nfs/dbraw/zinc/53/39/09/621533909.db2.gz WIWKEFLYHPHAAP-LBTNJELSSA-N 2 2 299.418 3.336 20 0 CGADLP C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903040651 621540143 /nfs/dbraw/zinc/54/01/43/621540143.db2.gz DBPMAMAXBCNXQY-CABCVRRESA-N 2 2 299.418 3.338 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1OC ZINC000903370918 621717851 /nfs/dbraw/zinc/71/78/51/621717851.db2.gz LHUOSCQESYZWMA-INWMFGNUSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1OC ZINC000903370918 621717856 /nfs/dbraw/zinc/71/78/56/621717856.db2.gz LHUOSCQESYZWMA-INWMFGNUSA-N 2 2 294.414 3.358 20 0 CGADLP c1cc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453889 621761429 /nfs/dbraw/zinc/76/14/29/621761429.db2.gz OLNBOARVRPNKJO-FUHWJXTLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000903453889 621761433 /nfs/dbraw/zinc/76/14/33/621761433.db2.gz OLNBOARVRPNKJO-FUHWJXTLSA-N 2 2 283.419 3.274 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)c1 ZINC000903457254 621762712 /nfs/dbraw/zinc/76/27/12/621762712.db2.gz PBZHUUZTZHNAPS-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)c1 ZINC000903457254 621762717 /nfs/dbraw/zinc/76/27/17/621762717.db2.gz PBZHUUZTZHNAPS-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)nc2)CCC1 ZINC000903815120 621809514 /nfs/dbraw/zinc/80/95/14/621809514.db2.gz QGHHZFTZUQIJFW-CQSZACIVSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc(Cl)nc2)CCC1 ZINC000903815120 621809515 /nfs/dbraw/zinc/80/95/15/621809515.db2.gz QGHHZFTZUQIJFW-CQSZACIVSA-N 2 2 293.842 3.219 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]([NH3+])CC(F)F ZINC000903878453 621825335 /nfs/dbraw/zinc/82/53/35/621825335.db2.gz URRAFPVAEJVREM-HNNXBMFYSA-N 2 2 278.346 3.254 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)C[C@@H]([NH3+])CC(F)F ZINC000903878453 621825336 /nfs/dbraw/zinc/82/53/36/621825336.db2.gz URRAFPVAEJVREM-HNNXBMFYSA-N 2 2 278.346 3.254 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910528 621831945 /nfs/dbraw/zinc/83/19/45/621831945.db2.gz NBXDWPRTZYLDJQ-WBVHZDCISA-N 2 2 296.405 3.314 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903910528 621831947 /nfs/dbraw/zinc/83/19/47/621831947.db2.gz NBXDWPRTZYLDJQ-WBVHZDCISA-N 2 2 296.405 3.314 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000904428171 621920400 /nfs/dbraw/zinc/92/04/00/621920400.db2.gz FKTRINGIVBISNK-LSDHHAIUSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cc(C)cc(C2CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2)c1 ZINC000904474022 621925448 /nfs/dbraw/zinc/92/54/48/621925448.db2.gz WQVIJVPXCWUACI-INIZCTEOSA-N 2 2 296.405 3.465 20 0 CGADLP CCCC[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000906527995 622244360 /nfs/dbraw/zinc/24/43/60/622244360.db2.gz QMPQKVFBCFFHBX-UHFFFAOYSA-N 2 2 275.440 3.429 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876955732 622868843 /nfs/dbraw/zinc/86/88/43/622868843.db2.gz BRJGTXKASXJFRH-WDEREUQCSA-N 2 2 290.238 3.081 20 0 CGADLP CS[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230699668 623263249 /nfs/dbraw/zinc/26/32/49/623263249.db2.gz GULTVIYDRAUQFH-HOCLYGCPSA-N 2 2 287.432 3.246 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000922293095 625993721 /nfs/dbraw/zinc/99/37/21/625993721.db2.gz LKOJEHHGMHFFPX-VNQPRFMTSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000922293095 625993723 /nfs/dbraw/zinc/99/37/23/625993723.db2.gz LKOJEHHGMHFFPX-VNQPRFMTSA-N 2 2 282.497 3.267 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]C/C=C\c1ccccc1)c1cccnc1 ZINC000922633040 626022514 /nfs/dbraw/zinc/02/25/14/626022514.db2.gz WZPBFDRXRCITAJ-SMTIMMHKSA-N 2 2 295.430 3.377 20 0 CGADLP CC(C)[NH+](CCSCc1cc[nH+]c(N(C)C)c1)C(C)C ZINC000762476893 627111801 /nfs/dbraw/zinc/11/18/01/627111801.db2.gz IIIUYIWEXOYNEN-UHFFFAOYSA-N 2 2 295.496 3.500 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000766002452 627286053 /nfs/dbraw/zinc/28/60/53/627286053.db2.gz LPCALGIQZRZDEV-LLVKDONJSA-N 2 2 279.428 3.205 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000766239869 627306051 /nfs/dbraw/zinc/30/60/51/627306051.db2.gz QISSMEDSLOHZBZ-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000766239869 627306053 /nfs/dbraw/zinc/30/60/53/627306053.db2.gz QISSMEDSLOHZBZ-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000766270189 627309071 /nfs/dbraw/zinc/30/90/71/627309071.db2.gz PAZIJYNTDIWPHR-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C2CC2)c1 ZINC000766270189 627309075 /nfs/dbraw/zinc/30/90/75/627309075.db2.gz PAZIJYNTDIWPHR-LPHOPBHVSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000766329751 627321390 /nfs/dbraw/zinc/32/13/90/627321390.db2.gz PCSNZKVFVYRMGU-HIFPTAJRSA-N 2 2 278.362 3.039 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000766329751 627321392 /nfs/dbraw/zinc/32/13/92/627321392.db2.gz PCSNZKVFVYRMGU-HIFPTAJRSA-N 2 2 278.362 3.039 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)[nH]1 ZINC000780292432 628479177 /nfs/dbraw/zinc/47/91/77/628479177.db2.gz CUKBFAIDIQSJBC-INIZCTEOSA-N 2 2 281.403 3.319 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCc4ccccc43)CC2)[nH]1 ZINC000780292433 628479491 /nfs/dbraw/zinc/47/94/91/628479491.db2.gz CUKBFAIDIQSJBC-MRXNPFEDSA-N 2 2 281.403 3.319 20 0 CGADLP Cc1nc(F)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000785435709 628861624 /nfs/dbraw/zinc/86/16/24/628861624.db2.gz SHWXQVHXESLSMX-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(C)o1 ZINC000793338770 629445218 /nfs/dbraw/zinc/44/52/18/629445218.db2.gz VJGDYZYYNBLPCR-UHFFFAOYSA-N 2 2 262.397 3.003 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[NH+]1CCCCC1 ZINC000800968588 630314449 /nfs/dbraw/zinc/31/44/49/630314449.db2.gz TXJSLUOGGYWWKC-BZUAXINKSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc21 ZINC000808698259 630666275 /nfs/dbraw/zinc/66/62/75/630666275.db2.gz LFUWAAXDTVKSLE-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc21 ZINC000808698259 630666280 /nfs/dbraw/zinc/66/62/80/630666280.db2.gz LFUWAAXDTVKSLE-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP CC(C)CC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809594858 630756693 /nfs/dbraw/zinc/75/66/93/630756693.db2.gz BNXXNEJKUXFRID-UHFFFAOYSA-N 2 2 295.496 3.463 20 0 CGADLP C[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000811474953 631071084 /nfs/dbraw/zinc/07/10/84/631071084.db2.gz GCCFOGZMWSQITQ-ZDUSSCGKSA-N 2 2 298.833 3.486 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000815563078 631795811 /nfs/dbraw/zinc/79/58/11/631795811.db2.gz SWOPKOYMCJJYSL-CQSZACIVSA-N 2 2 275.371 3.462 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C ZINC000817950780 632246997 /nfs/dbraw/zinc/24/69/97/632246997.db2.gz YTWILAAUUAMFML-GJZGRUSLSA-N 2 2 276.424 3.105 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)SC ZINC000820866351 632689526 /nfs/dbraw/zinc/68/95/26/632689526.db2.gz CEUPAVKFEKSGHB-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)SC ZINC000820866351 632689532 /nfs/dbraw/zinc/68/95/32/632689532.db2.gz CEUPAVKFEKSGHB-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)SC ZINC000820866351 632689536 /nfs/dbraw/zinc/68/95/36/632689536.db2.gz CEUPAVKFEKSGHB-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)SC ZINC000820866351 632689540 /nfs/dbraw/zinc/68/95/40/632689540.db2.gz CEUPAVKFEKSGHB-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401342 632764846 /nfs/dbraw/zinc/76/48/46/632764846.db2.gz CPAYJNJSBIACRO-RHSMWYFYSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000866211642 633029648 /nfs/dbraw/zinc/02/96/48/633029648.db2.gz FOOXAXFWGXRRRU-SUMWQHHRSA-N 2 2 287.382 3.326 20 0 CGADLP C[NH+](C)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000866213987 633030507 /nfs/dbraw/zinc/03/05/07/633030507.db2.gz FPKPINHABFBAIO-IBGZPJMESA-N 2 2 297.446 3.297 20 0 CGADLP CC(C)[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccn1 ZINC000866282768 633065141 /nfs/dbraw/zinc/06/51/41/633065141.db2.gz QXAIOFDFMRSOLY-KRWDZBQOSA-N 2 2 284.407 3.266 20 0 CGADLP COCC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000823684628 633136891 /nfs/dbraw/zinc/13/68/91/633136891.db2.gz YSLRJJAWXIWMOB-GPANFISMSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000823724386 633145151 /nfs/dbraw/zinc/14/51/51/633145151.db2.gz YDXXDKQZLMZLLO-MAUKXSAKSA-N 2 2 283.419 3.056 20 0 CGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866636483 633224805 /nfs/dbraw/zinc/22/48/05/633224805.db2.gz LCMHPVUSGPPOAU-IIAWOOMASA-N 2 2 287.407 3.072 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872034013 633952783 /nfs/dbraw/zinc/95/27/83/633952783.db2.gz FBDRORNFTUIVLT-QWHCGFSZSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000872034013 633952790 /nfs/dbraw/zinc/95/27/90/633952790.db2.gz FBDRORNFTUIVLT-QWHCGFSZSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1CC)[C@@H]1CCCOC1 ZINC000872036195 633955650 /nfs/dbraw/zinc/95/56/50/633955650.db2.gz SRWJJMLTOFOXKG-ZACQAIPSSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1CC)[C@@H]1CCCOC1 ZINC000872036195 633955654 /nfs/dbraw/zinc/95/56/54/633955654.db2.gz SRWJJMLTOFOXKG-ZACQAIPSSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000872085680 634010397 /nfs/dbraw/zinc/01/03/97/634010397.db2.gz QIUFHLVGBJYHLE-TWMKSMIVSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000872085680 634010404 /nfs/dbraw/zinc/01/04/04/634010404.db2.gz QIUFHLVGBJYHLE-TWMKSMIVSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H](c1ccccn1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872102745 634023570 /nfs/dbraw/zinc/02/35/70/634023570.db2.gz STQLBCFHQZSMBE-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP C[N@H+](CCCCCC[NH3+])Cc1c(Cl)cncc1Cl ZINC000872156289 634066589 /nfs/dbraw/zinc/06/65/89/634066589.db2.gz HLNHTQPWTHLBQJ-UHFFFAOYSA-N 2 2 290.238 3.339 20 0 CGADLP C[N@@H+](CCCCCC[NH3+])Cc1c(Cl)cncc1Cl ZINC000872156289 634066594 /nfs/dbraw/zinc/06/65/94/634066594.db2.gz HLNHTQPWTHLBQJ-UHFFFAOYSA-N 2 2 290.238 3.339 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)CCC2 ZINC000873236021 634295446 /nfs/dbraw/zinc/29/54/46/634295446.db2.gz WAFDHZMBBOKGRX-CHWSQXEVSA-N 2 2 293.480 3.197 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000019913246 634375365 /nfs/dbraw/zinc/37/53/65/634375365.db2.gz WWUNTKLXFYZGIA-INIZCTEOSA-N 2 2 283.419 3.254 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000019913246 634375372 /nfs/dbraw/zinc/37/53/72/634375372.db2.gz WWUNTKLXFYZGIA-INIZCTEOSA-N 2 2 283.419 3.254 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)o1 ZINC000877674048 635142634 /nfs/dbraw/zinc/14/26/34/635142634.db2.gz LVLQHTJKVYVVRF-UHFFFAOYSA-N 2 2 276.424 3.347 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742310 635177921 /nfs/dbraw/zinc/17/79/21/635177921.db2.gz OUJWJHQRRGEEPW-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742310 635177927 /nfs/dbraw/zinc/17/79/27/635177927.db2.gz OUJWJHQRRGEEPW-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742310 635177934 /nfs/dbraw/zinc/17/79/34/635177934.db2.gz OUJWJHQRRGEEPW-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC[C@@H]21 ZINC000877742310 635177943 /nfs/dbraw/zinc/17/79/43/635177943.db2.gz OUJWJHQRRGEEPW-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP Cc1ncccc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877795536 635204713 /nfs/dbraw/zinc/20/47/13/635204713.db2.gz NRQRVNKGBQJMQE-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000842671992 635436034 /nfs/dbraw/zinc/43/60/34/635436034.db2.gz WLRGGXZTGOUZET-QWHCGFSZSA-N 2 2 274.399 3.417 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCCC[C@@H]1C ZINC000842671992 635436041 /nfs/dbraw/zinc/43/60/41/635436041.db2.gz WLRGGXZTGOUZET-QWHCGFSZSA-N 2 2 274.399 3.417 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879769674 635857838 /nfs/dbraw/zinc/85/78/38/635857838.db2.gz VUHQEXTWFOYLLC-UHFFFAOYSA-N 2 2 289.810 3.212 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879769674 635857843 /nfs/dbraw/zinc/85/78/43/635857843.db2.gz VUHQEXTWFOYLLC-UHFFFAOYSA-N 2 2 289.810 3.212 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c2ccccc2n1 ZINC000880129720 635919539 /nfs/dbraw/zinc/91/95/39/635919539.db2.gz AAXIHYQPEWXMEC-RBUKOAKNSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c2ccccc2n1 ZINC000880129720 635919540 /nfs/dbraw/zinc/91/95/40/635919540.db2.gz AAXIHYQPEWXMEC-RBUKOAKNSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129720 635919543 /nfs/dbraw/zinc/91/95/43/635919543.db2.gz AAXIHYQPEWXMEC-RBUKOAKNSA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129720 635919547 /nfs/dbraw/zinc/91/95/47/635919547.db2.gz AAXIHYQPEWXMEC-RBUKOAKNSA-N 2 2 295.430 3.212 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472713 636007377 /nfs/dbraw/zinc/00/73/77/636007377.db2.gz ZHZJZBCBVBUCNO-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)n1 ZINC000880476407 636007965 /nfs/dbraw/zinc/00/79/65/636007965.db2.gz VVSRVWWQKJVHEF-UHFFFAOYSA-N 2 2 287.451 3.067 20 0 CGADLP CC1(C)CC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569623 636022744 /nfs/dbraw/zinc/02/27/44/636022744.db2.gz MWXCLSBBROHDTH-DLBZAZTESA-N 2 2 299.418 3.172 20 0 CGADLP c1cnc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2c1 ZINC000848574387 636613288 /nfs/dbraw/zinc/61/32/88/636613288.db2.gz DOGCIXGMMOUQBM-IEBWSBKVSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000848574387 636613302 /nfs/dbraw/zinc/61/33/02/636613302.db2.gz DOGCIXGMMOUQBM-IEBWSBKVSA-N 2 2 295.430 3.341 20 0 CGADLP C=C/C=C/CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000883259847 636629244 /nfs/dbraw/zinc/62/92/44/636629244.db2.gz AOGAYHDQHWLKJB-AATRIKPKSA-N 2 2 299.462 3.443 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131631496 636704159 /nfs/dbraw/zinc/70/41/59/636704159.db2.gz PAXAESUZZTZXNO-DZGCQCFKSA-N 2 2 287.432 3.419 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387325 636728641 /nfs/dbraw/zinc/72/86/41/636728641.db2.gz VVNXHVUELZVCOB-DYVFJYSZSA-N 2 2 295.390 3.007 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883389614 636732734 /nfs/dbraw/zinc/73/27/34/636732734.db2.gz UVGKPTWSRJPBKK-IAGOWNOFSA-N 2 2 299.418 3.172 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C=CCC3)CC2)cc1 ZINC000850360093 637028281 /nfs/dbraw/zinc/02/82/81/637028281.db2.gz ZMGGTXUNCIMIKL-HNNXBMFYSA-N 2 2 285.435 3.030 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000135164227 637096107 /nfs/dbraw/zinc/09/61/07/637096107.db2.gz OIRWHXMUCPOPKZ-DZGCQCFKSA-N 2 2 255.365 3.151 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885980237 637341523 /nfs/dbraw/zinc/34/15/23/637341523.db2.gz WMZVBOVJZKXMCV-MRXNPFEDSA-N 2 2 282.472 3.190 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885980237 637341530 /nfs/dbraw/zinc/34/15/30/637341530.db2.gz WMZVBOVJZKXMCV-MRXNPFEDSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000886282809 637484462 /nfs/dbraw/zinc/48/44/62/637484462.db2.gz VSHNSXKPXIOFLO-AVRGHOLYSA-N 2 2 287.432 3.316 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000886710786 637668190 /nfs/dbraw/zinc/66/81/90/637668190.db2.gz GFZOPOVYMQPLBJ-HNNXBMFYSA-N 2 2 273.424 3.093 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccs2)CC1 ZINC000886715854 637670117 /nfs/dbraw/zinc/67/01/17/637670117.db2.gz GPVNTSFKVOMMAA-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732130 638397108 /nfs/dbraw/zinc/39/71/08/638397108.db2.gz LYDFGQNAPSBHEU-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C12CCC2 ZINC000925508187 638514310 /nfs/dbraw/zinc/51/43/10/638514310.db2.gz ZMLYCANNMJFLBL-FGTMMUONSA-N 2 2 293.414 3.031 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C12CCC2 ZINC000925508189 638515859 /nfs/dbraw/zinc/51/58/59/638515859.db2.gz ZMLYCANNMJFLBL-KZNAEPCWSA-N 2 2 293.414 3.031 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)CCC2 ZINC000925630755 638548598 /nfs/dbraw/zinc/54/85/98/638548598.db2.gz CECXRCATTZYOEU-UONOGXRCSA-N 2 2 291.464 3.093 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)CCC2 ZINC000925630751 638549047 /nfs/dbraw/zinc/54/90/47/638549047.db2.gz CECXRCATTZYOEU-KBPBESRZSA-N 2 2 291.464 3.093 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)CCC2 ZINC000925630757 638549505 /nfs/dbraw/zinc/54/95/05/638549505.db2.gz CECXRCATTZYOEU-ZIAGYGMSSA-N 2 2 291.464 3.093 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857916916 638604587 /nfs/dbraw/zinc/60/45/87/638604587.db2.gz UIWIKINRXWULIG-AWEZNQCLSA-N 2 2 295.858 3.290 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857916916 638604590 /nfs/dbraw/zinc/60/45/90/638604590.db2.gz UIWIKINRXWULIG-AWEZNQCLSA-N 2 2 295.858 3.290 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1cc(N)cc[nH+]1)c1ccccc1 ZINC000925771965 638606734 /nfs/dbraw/zinc/60/67/34/638606734.db2.gz PPKGLWRHGWYCAU-INIZCTEOSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000925781005 638612710 /nfs/dbraw/zinc/61/27/10/638612710.db2.gz CPTWIPANEBJDME-QWQRMKEZSA-N 2 2 281.403 3.007 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cc(Cl)cc(Cl)c1F ZINC000925828007 638624424 /nfs/dbraw/zinc/62/44/24/638624424.db2.gz CSHNIHIHKJDELW-HTQZYQBOSA-N 2 2 291.197 3.391 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872503 638636559 /nfs/dbraw/zinc/63/65/59/638636559.db2.gz VJKDRJUQHQGIHL-GVDBMIGSSA-N 2 2 279.387 3.193 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000925874574 638638572 /nfs/dbraw/zinc/63/85/72/638638572.db2.gz KLBNDCLFFIBGCF-OAUYIBNBSA-N 2 2 294.389 3.284 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000925973860 638669060 /nfs/dbraw/zinc/66/90/60/638669060.db2.gz URAZAICEPXXNLA-BRSBDYLESA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000925973860 638669064 /nfs/dbraw/zinc/66/90/64/638669064.db2.gz URAZAICEPXXNLA-BRSBDYLESA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117496 638844511 /nfs/dbraw/zinc/84/45/11/638844511.db2.gz BTHIJMNETVTFCX-RWQQGDIJSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117496 638844512 /nfs/dbraw/zinc/84/45/12/638844512.db2.gz BTHIJMNETVTFCX-RWQQGDIJSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@@H+]1C ZINC000929783366 638951410 /nfs/dbraw/zinc/95/14/10/638951410.db2.gz PWMSMZIEMFFDIM-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)CC[N@H+]1C ZINC000929783366 638951412 /nfs/dbraw/zinc/95/14/12/638951412.db2.gz PWMSMZIEMFFDIM-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783366 638951414 /nfs/dbraw/zinc/95/14/14/638951414.db2.gz PWMSMZIEMFFDIM-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC[NH+]1C ZINC000929783366 638951415 /nfs/dbraw/zinc/95/14/15/638951415.db2.gz PWMSMZIEMFFDIM-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000929803692 638952735 /nfs/dbraw/zinc/95/27/35/638952735.db2.gz NLEWDCPQTFKODT-UHFFFAOYSA-N 2 2 291.345 3.376 20 0 CGADLP CC(C)Oc1cccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931350739 639138804 /nfs/dbraw/zinc/13/88/04/639138804.db2.gz WIVBIGNOUWMONC-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CSc1ccccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353806 639139706 /nfs/dbraw/zinc/13/97/06/639139706.db2.gz FCUKNVKQTBIGJD-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932276357 639310936 /nfs/dbraw/zinc/31/09/36/639310936.db2.gz UAZFCKVSYZSQDI-CRAIPNDOSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932276357 639310941 /nfs/dbraw/zinc/31/09/41/639310941.db2.gz UAZFCKVSYZSQDI-CRAIPNDOSA-N 2 2 283.419 3.460 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932899050 639397162 /nfs/dbraw/zinc/39/71/62/639397162.db2.gz QVRKHTBGMXYICQ-MRXNPFEDSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932899050 639397171 /nfs/dbraw/zinc/39/71/71/639397171.db2.gz QVRKHTBGMXYICQ-MRXNPFEDSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000159054812 640028961 /nfs/dbraw/zinc/02/89/61/640028961.db2.gz MQYRNUFDXBVNSU-JKSUJKDBSA-N 2 2 288.435 3.017 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250495903 640813528 /nfs/dbraw/zinc/81/35/28/640813528.db2.gz IYUNJYKDMUTYKN-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250495903 640813531 /nfs/dbraw/zinc/81/35/31/640813531.db2.gz IYUNJYKDMUTYKN-HRCADAONSA-N 2 2 252.446 3.275 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420404940 640911114 /nfs/dbraw/zinc/91/11/14/640911114.db2.gz PAMXOVQOKJPJSX-LJQANCHMSA-N 2 2 280.415 3.210 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420404940 640911122 /nfs/dbraw/zinc/91/11/22/640911122.db2.gz PAMXOVQOKJPJSX-LJQANCHMSA-N 2 2 280.415 3.210 20 0 CGADLP CC[NH+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000339012425 722005658 /nfs/dbraw/zinc/00/56/58/722005658.db2.gz FYVIHEBAJZUAQO-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP Cc1nc(N[C@H](C)C[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001155920520 805625655 /nfs/dbraw/zinc/62/56/55/805625655.db2.gz CXJOXERXVNHTDE-GFCCVEGCSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1cc(NCc2cccc(C[NH+](C)C)c2)nc(C2CC2)[nH+]1 ZINC001156052624 805646874 /nfs/dbraw/zinc/64/68/74/805646874.db2.gz XQRHYQGNXCDQMF-UHFFFAOYSA-N 2 2 296.418 3.336 20 0 CGADLP COc1cc2[nH+]c(CC3CC[NH+](C)CC3)[nH]c2cc1Cl ZINC001250551469 805688897 /nfs/dbraw/zinc/68/88/97/805688897.db2.gz OVJUREHJDDUQJI-UHFFFAOYSA-N 2 2 293.798 3.109 20 0 CGADLP Cc1nc(NC2C[NH+](C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001157530404 805828272 /nfs/dbraw/zinc/82/82/72/805828272.db2.gz WOMZBQIEMGVYJN-UHFFFAOYSA-N 2 2 288.439 3.337 20 0 CGADLP CC1(C)C[C@@H](Nc2ccc(Cl)c(N)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158269796 805932953 /nfs/dbraw/zinc/93/29/53/805932953.db2.gz BXWZARFZDORREX-BMIGLBTASA-N 2 2 296.846 3.273 20 0 CGADLP Cc1cc(O)c[nH+]c1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001159124090 806046691 /nfs/dbraw/zinc/04/66/91/806046691.db2.gz PENJLQMMGVKRKW-UHFFFAOYSA-N 2 2 257.337 3.033 20 0 CGADLP CCCc1cc[nH+]c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159409660 806096239 /nfs/dbraw/zinc/09/62/39/806096239.db2.gz XQTLLSDSTNGBQR-UHFFFAOYSA-N 2 2 267.376 3.423 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc3c(c2)CC[NH2+]CC3)c1C ZINC001159680865 806149249 /nfs/dbraw/zinc/14/92/49/806149249.db2.gz DHYQNJPDOXNZQO-UHFFFAOYSA-N 2 2 267.376 3.130 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)ccc1[NH+](C)C ZINC001159832396 806182895 /nfs/dbraw/zinc/18/28/95/806182895.db2.gz IIPFREHFGXNPGL-HNNXBMFYSA-N 2 2 281.403 3.231 20 0 CGADLP Cc1cc(C)c(Nc2ccccc2N2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC001159981378 806208815 /nfs/dbraw/zinc/20/88/15/806208815.db2.gz FMSPUKPIKGKWLX-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001254482226 806412891 /nfs/dbraw/zinc/41/28/91/806412891.db2.gz HVXFGBWAPRMTEN-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001254482226 806412894 /nfs/dbraw/zinc/41/28/94/806412894.db2.gz HVXFGBWAPRMTEN-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254832104 806492138 /nfs/dbraw/zinc/49/21/38/806492138.db2.gz CCZIZBLIBJPLLL-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP FC(F)(F)C1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254836400 806492942 /nfs/dbraw/zinc/49/29/42/806492942.db2.gz LNVXSWBRYRRVIN-RUXDESIVSA-N 2 2 290.373 3.181 20 0 CGADLP CC(C)([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1cccc(F)c1 ZINC001254840246 806494916 /nfs/dbraw/zinc/49/49/16/806494916.db2.gz DRJOGAHCGKPCKH-MRXNPFEDSA-N 2 2 276.399 3.135 20 0 CGADLP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841850 806496100 /nfs/dbraw/zinc/49/61/00/806496100.db2.gz BPYACGWDLLTGLP-XJKSGUPXSA-N 2 2 276.399 3.269 20 0 CGADLP CCc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)nc(CC)[nH+]1 ZINC001162078888 806503652 /nfs/dbraw/zinc/50/36/52/806503652.db2.gz OONSEOHRKPWDBZ-HNNXBMFYSA-N 2 2 290.455 3.134 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2[nH+]ccc3[nH]ccc32)c1 ZINC001162127904 806510035 /nfs/dbraw/zinc/51/00/35/806510035.db2.gz AOOKETVGNNWHIN-UHFFFAOYSA-N 2 2 296.374 3.356 20 0 CGADLP C[N@H+](CCF)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150738 806553862 /nfs/dbraw/zinc/55/38/62/806553862.db2.gz YMKRZAFCGMJBAG-BJWYYQGGSA-N 2 2 276.399 3.083 20 0 CGADLP C[N@@H+](CCF)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255150738 806553871 /nfs/dbraw/zinc/55/38/71/806553871.db2.gz YMKRZAFCGMJBAG-BJWYYQGGSA-N 2 2 276.399 3.083 20 0 CGADLP C[NH+](CCF)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255150738 806553879 /nfs/dbraw/zinc/55/38/79/806553879.db2.gz YMKRZAFCGMJBAG-BJWYYQGGSA-N 2 2 276.399 3.083 20 0 CGADLP C[NH+](CCF)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255150738 806553889 /nfs/dbraw/zinc/55/38/89/806553889.db2.gz YMKRZAFCGMJBAG-BJWYYQGGSA-N 2 2 276.399 3.083 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@@]2(C)CCC[N@H+](C)C2)c1 ZINC001162341401 806558435 /nfs/dbraw/zinc/55/84/35/806558435.db2.gz MEHKXWUEWLQPKC-KRWDZBQOSA-N 2 2 285.391 3.140 20 0 CGADLP COc1ccc2c(cc[nH+]c2N[C@@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162341401 806558444 /nfs/dbraw/zinc/55/84/44/806558444.db2.gz MEHKXWUEWLQPKC-KRWDZBQOSA-N 2 2 285.391 3.140 20 0 CGADLP C[C@H]1[NH2+]CC[C@H]1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001162677842 806645909 /nfs/dbraw/zinc/64/59/09/806645909.db2.gz SDQPSGJRYDOPOZ-CZUORRHYSA-N 2 2 292.386 3.188 20 0 CGADLP CC[NH+](CC)CCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001163047327 806697218 /nfs/dbraw/zinc/69/72/18/806697218.db2.gz IFLPXAKCGNVELK-UHFFFAOYSA-N 2 2 276.428 3.196 20 0 CGADLP CCSC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072902530 798919071 /nfs/dbraw/zinc/91/90/71/798919071.db2.gz FEQPIMMXAMDSHL-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP CCSC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072902530 798919072 /nfs/dbraw/zinc/91/90/72/798919072.db2.gz FEQPIMMXAMDSHL-AWEZNQCLSA-N 2 2 289.448 3.446 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001255705100 806711879 /nfs/dbraw/zinc/71/18/79/806711879.db2.gz CXLOKMWIWBWCSV-VXGBXAGGSA-N 2 2 288.313 3.171 20 0 CGADLP Cc1cc(N(C(C)C)C(C)(C)C[NH3+])nc(C(C)(C)C)[nH+]1 ZINC001163189731 806717041 /nfs/dbraw/zinc/71/70/41/806717041.db2.gz YELGVQHYRKUAST-UHFFFAOYSA-N 2 2 278.444 3.035 20 0 CGADLP CC(C)Oc1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc[nH+]1 ZINC001163226542 806728998 /nfs/dbraw/zinc/72/89/98/806728998.db2.gz IJVVOMOKRBLXMJ-ZDUSSCGKSA-N 2 2 289.404 3.187 20 0 CGADLP Cc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)cc(C(C)C)[nH+]1 ZINC001163269570 806733930 /nfs/dbraw/zinc/73/39/30/806733930.db2.gz CDNVCNCJFAVDQV-INIZCTEOSA-N 2 2 296.418 3.035 20 0 CGADLP C[C@@H](Cc1ccccc1F)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255853898 806769185 /nfs/dbraw/zinc/76/91/85/806769185.db2.gz MRZKSHJHWKRPPT-ZFWWWQNUSA-N 2 2 287.382 3.293 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Cl)CC1 ZINC000695635279 799829911 /nfs/dbraw/zinc/82/99/11/799829911.db2.gz BRGZCEKKARCBDQ-NWDGAFQWSA-N 2 2 269.820 3.047 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001255942810 806790955 /nfs/dbraw/zinc/79/09/55/806790955.db2.gz IIVAENVJCVNNSK-GFCCVEGCSA-N 2 2 270.367 3.175 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC001255954583 806798133 /nfs/dbraw/zinc/79/81/33/806798133.db2.gz YBXIUUDDMSBXSP-SWLSCSKDSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716269097 800166073 /nfs/dbraw/zinc/16/60/73/800166073.db2.gz JFXOWIXVZOXENJ-CRAIPNDOSA-N 2 2 272.436 3.287 20 0 CGADLP CC[N@H+](C1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256072630 806810732 /nfs/dbraw/zinc/81/07/32/806810732.db2.gz FEOXIMAPGNOJLQ-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP CC[N@@H+](C1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256072630 806810739 /nfs/dbraw/zinc/81/07/39/806810739.db2.gz FEOXIMAPGNOJLQ-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cncc(Cl)c1 ZINC001256074105 806812189 /nfs/dbraw/zinc/81/21/89/806812189.db2.gz LFIVKNMTFJNLMW-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722392230 800321299 /nfs/dbraw/zinc/32/12/99/800321299.db2.gz QWKHVUNXLWVESQ-DGCLKSJQSA-N 2 2 281.469 3.119 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C2CC2)C2CCCC2)s1 ZINC000809546874 800444420 /nfs/dbraw/zinc/44/44/20/800444420.db2.gz ZVRAPLCBCXQJPC-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C2CC2)C2CCCC2)s1 ZINC000809546874 800444421 /nfs/dbraw/zinc/44/44/21/800444421.db2.gz ZVRAPLCBCXQJPC-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924573178 800626081 /nfs/dbraw/zinc/62/60/81/800626081.db2.gz YBXILMOFVCSNPC-HNNXBMFYSA-N 2 2 293.842 3.186 20 0 CGADLP Cc1nc(N(C)CCCC[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC001163990318 806870477 /nfs/dbraw/zinc/87/04/77/806870477.db2.gz UQPYRLHTDFFHGL-UHFFFAOYSA-N 2 2 290.455 3.104 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544634 806913177 /nfs/dbraw/zinc/91/31/77/806913177.db2.gz ZTSDCBVZKLJSMU-XYVMCAHJSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544634 806913180 /nfs/dbraw/zinc/91/31/80/806913180.db2.gz ZTSDCBVZKLJSMU-XYVMCAHJSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544634 806913182 /nfs/dbraw/zinc/91/31/82/806913182.db2.gz ZTSDCBVZKLJSMU-XYVMCAHJSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544634 806913185 /nfs/dbraw/zinc/91/31/85/806913185.db2.gz ZTSDCBVZKLJSMU-XYVMCAHJSA-N 2 2 290.426 3.472 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001256561890 806916505 /nfs/dbraw/zinc/91/65/05/806916505.db2.gz PVXIBYWUKPWZTH-UHFFFAOYSA-N 3 2 295.515 3.230 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001256563890 806916640 /nfs/dbraw/zinc/91/66/40/806916640.db2.gz JYVLMQMIDLBLMP-UHFFFAOYSA-N 2 2 275.440 3.169 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001256569445 806917634 /nfs/dbraw/zinc/91/76/34/806917634.db2.gz GAHRMIXJHZUPHF-ZDUSSCGKSA-N 2 2 256.409 3.073 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001256569445 806917637 /nfs/dbraw/zinc/91/76/37/806917637.db2.gz GAHRMIXJHZUPHF-ZDUSSCGKSA-N 2 2 256.409 3.073 20 0 CGADLP CCSc1cc[nH+]c(N2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001164249350 806922864 /nfs/dbraw/zinc/92/28/64/806922864.db2.gz DEBHBYNBLDEKJS-OAHLLOKOSA-N 2 2 279.453 3.149 20 0 CGADLP CC[NH+]1CCC(N(C)c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165069519 806968306 /nfs/dbraw/zinc/96/83/06/806968306.db2.gz LVLAEWODQBMWED-UHFFFAOYSA-N 2 2 275.440 3.300 20 0 CGADLP CC(C)(C)c1ccc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c1 ZINC001165246683 806979693 /nfs/dbraw/zinc/97/96/93/806979693.db2.gz OJZZBYQKAAUUFJ-UHFFFAOYSA-N 2 2 287.451 3.492 20 0 CGADLP CCc1ccc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]c1 ZINC001120886702 802790900 /nfs/dbraw/zinc/79/09/00/802790900.db2.gz MXJQOKGIRMVRBZ-UHFFFAOYSA-N 2 2 275.440 3.201 20 0 CGADLP CCc1ccc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]c1 ZINC001120886702 802790904 /nfs/dbraw/zinc/79/09/04/802790904.db2.gz MXJQOKGIRMVRBZ-UHFFFAOYSA-N 2 2 275.440 3.201 20 0 CGADLP Nc1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c[nH+]1 ZINC001201287086 811808606 /nfs/dbraw/zinc/80/86/06/811808606.db2.gz SGXVUCSOEHZGFL-UHFFFAOYSA-N 2 2 282.391 3.046 20 0 CGADLP CC(C)[N@H+](Cc1ccc2c(c1)COC2)C1CC[NH+](C)CC1 ZINC001137030647 803673745 /nfs/dbraw/zinc/67/37/45/803673745.db2.gz GNIXOKKNBSZSNE-UHFFFAOYSA-N 2 2 288.435 3.021 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2c(c1)COC2)C1CC[NH+](C)CC1 ZINC001137030647 803673749 /nfs/dbraw/zinc/67/37/49/803673749.db2.gz GNIXOKKNBSZSNE-UHFFFAOYSA-N 2 2 288.435 3.021 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]c1N ZINC001245354317 803710018 /nfs/dbraw/zinc/71/00/18/803710018.db2.gz FYUKVSZUHLBXHA-OAHLLOKOSA-N 2 2 253.349 3.064 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137648272 803748212 /nfs/dbraw/zinc/74/82/12/803748212.db2.gz MAAKRTNPGNCULP-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC001137648272 803748217 /nfs/dbraw/zinc/74/82/17/803748217.db2.gz MAAKRTNPGNCULP-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP Cc1cc(-c2cnccc2C[NH+]2CCCCC2)c[nH+]c1N ZINC001245541325 803799777 /nfs/dbraw/zinc/79/97/77/803799777.db2.gz QPQAOSCBPLJRKI-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP Cc1cc(-c2ccc(C[NH+]3CCCC3)c(F)c2)c[nH+]c1N ZINC001245540856 803800069 /nfs/dbraw/zinc/80/00/69/803800069.db2.gz IVRVDXMXEYYQIY-UHFFFAOYSA-N 2 2 285.366 3.374 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246094126 804127039 /nfs/dbraw/zinc/12/70/39/804127039.db2.gz HXTKAVMCQKKFIL-FICVDOATSA-N 2 2 282.378 3.364 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246129935 804155821 /nfs/dbraw/zinc/15/58/21/804155821.db2.gz UVTYVPPTCSKAIA-HZPDHXFCSA-N 2 2 282.472 3.236 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246142324 804165132 /nfs/dbraw/zinc/16/51/32/804165132.db2.gz NGEZFBXTDZOLOU-SVGFKBNWSA-N 2 2 258.409 3.258 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246160966 804177983 /nfs/dbraw/zinc/17/79/83/804177983.db2.gz WGGROQNRMXJWQU-ZFWWWQNUSA-N 2 2 282.378 3.221 20 0 CGADLP Fc1cccc2c1CC[C@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246167005 804182914 /nfs/dbraw/zinc/18/29/14/804182914.db2.gz AKWQEQUIIQNXAO-KRWDZBQOSA-N 2 2 298.405 3.062 20 0 CGADLP Clc1ccc(SCC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246184834 804197343 /nfs/dbraw/zinc/19/73/43/804197343.db2.gz OMDPQZOQXVGIOT-CYBMUJFWSA-N 2 2 284.856 3.164 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)c2ccc(Cl)cc2)C[NH2+]1 ZINC001246194953 804201808 /nfs/dbraw/zinc/20/18/08/804201808.db2.gz KVBALQCRKUIFOS-FZMZJTMJSA-N 2 2 266.816 3.305 20 0 CGADLP CC(C)([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001246193623 804201910 /nfs/dbraw/zinc/20/19/10/804201910.db2.gz BVOLYVLYPMIQIZ-CQSZACIVSA-N 2 2 266.816 3.307 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC001246224436 804219515 /nfs/dbraw/zinc/21/95/15/804219515.db2.gz GGTQBMHYMSGMAP-TZMCWYRMSA-N 2 2 282.378 3.221 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246270631 804248060 /nfs/dbraw/zinc/24/80/60/804248060.db2.gz OZRYFGYLQGVWLP-XOKHGSTOSA-N 2 2 258.409 3.258 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246271463 804250285 /nfs/dbraw/zinc/25/02/85/804250285.db2.gz ISXUOYXZWWDJDC-RCBQFDQVSA-N 2 2 264.388 3.397 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C2 ZINC001246278454 804254765 /nfs/dbraw/zinc/25/47/65/804254765.db2.gz HIJWDQAPJQNITQ-IEBWSBKVSA-N 2 2 280.415 3.142 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246280445 804256194 /nfs/dbraw/zinc/25/61/94/804256194.db2.gz RPNGEJVXDQHSNG-NOLJZWGESA-N 2 2 292.398 3.016 20 0 CGADLP CCCCCC1CCC([NH2+][C@H](C)[C@@H]2C[NH2+]CCO2)CC1 ZINC001246295971 804263862 /nfs/dbraw/zinc/26/38/62/804263862.db2.gz QGWSSNVICIJVMN-VXLLPVPCSA-N 2 2 282.472 3.092 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2F)CC[NH2+]1 ZINC001246317872 804276570 /nfs/dbraw/zinc/27/65/70/804276570.db2.gz QGJNUBAVZAGMDH-YWPYICTPSA-N 2 2 282.378 3.392 20 0 CGADLP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)[C@H]1CSCC[NH2+]1 ZINC001246336973 804291543 /nfs/dbraw/zinc/29/15/43/804291543.db2.gz PNEHRPKKDMOBBS-CABCVRRESA-N 2 2 282.497 3.174 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139898083 804322002 /nfs/dbraw/zinc/32/20/02/804322002.db2.gz HVWHLQPVKYRWTE-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139898083 804322012 /nfs/dbraw/zinc/32/20/12/804322012.db2.gz HVWHLQPVKYRWTE-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP Fc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246409972 804323064 /nfs/dbraw/zinc/32/30/64/804323064.db2.gz VQSMXVXBIJBGBI-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)C[NH2+]1 ZINC001246412389 804326467 /nfs/dbraw/zinc/32/64/67/804326467.db2.gz KKQGAGZZMMSBMG-WDBKCZKBSA-N 2 2 298.352 3.423 20 0 CGADLP CC(C)[PH+](CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001246470671 804347284 /nfs/dbraw/zinc/34/72/84/804347284.db2.gz QQGOOLWSVPYDJP-ZIAGYGMSSA-N 3 2 258.390 3.015 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C(C)C)c1 ZINC001246469708 804348069 /nfs/dbraw/zinc/34/80/69/804348069.db2.gz FPEKMMGYNAMNJC-DJIMGWMZSA-N 2 2 260.425 3.422 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001140021503 804351986 /nfs/dbraw/zinc/35/19/86/804351986.db2.gz NBQLHEUDMDTXAQ-BBRMVZONSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001140021503 804351996 /nfs/dbraw/zinc/35/19/96/804351996.db2.gz NBQLHEUDMDTXAQ-BBRMVZONSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]1C ZINC001140022464 804355118 /nfs/dbraw/zinc/35/51/18/804355118.db2.gz GRXNNERMMLCHBG-CYBMUJFWSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]1C ZINC001140022464 804355119 /nfs/dbraw/zinc/35/51/19/804355119.db2.gz GRXNNERMMLCHBG-CYBMUJFWSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140024671 804355182 /nfs/dbraw/zinc/35/51/82/804355182.db2.gz GDHKJFUVJCISQO-HRCADAONSA-N 2 2 285.366 3.113 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140024671 804355190 /nfs/dbraw/zinc/35/51/90/804355190.db2.gz GDHKJFUVJCISQO-HRCADAONSA-N 2 2 285.366 3.113 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246502357 804363439 /nfs/dbraw/zinc/36/34/39/804363439.db2.gz VLMNWEICUVSMEK-BLLLJJGKSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C[NH2+]1 ZINC001246503122 804364017 /nfs/dbraw/zinc/36/40/17/804364017.db2.gz YDIFMDMNPQRMDB-WQGACYEGSA-N 2 2 278.827 3.448 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246543192 804391047 /nfs/dbraw/zinc/39/10/47/804391047.db2.gz SJYDJLJFHLDWQL-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246543192 804391054 /nfs/dbraw/zinc/39/10/54/804391054.db2.gz SJYDJLJFHLDWQL-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545351 804392500 /nfs/dbraw/zinc/39/25/00/804392500.db2.gz JNBUMSSJVYEYDY-HUBLWGQQSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545351 804392509 /nfs/dbraw/zinc/39/25/09/804392509.db2.gz JNBUMSSJVYEYDY-HUBLWGQQSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571495 804419325 /nfs/dbraw/zinc/41/93/25/804419325.db2.gz UTBBTJWHGTXBIK-BPLDGKMQSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571495 804419331 /nfs/dbraw/zinc/41/93/31/804419331.db2.gz UTBBTJWHGTXBIK-BPLDGKMQSA-N 2 2 292.854 3.257 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246615969 804449981 /nfs/dbraw/zinc/44/99/81/804449981.db2.gz YSXUVHVYCHVLMB-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001246615969 804449984 /nfs/dbraw/zinc/44/99/84/804449984.db2.gz YSXUVHVYCHVLMB-WBVHZDCISA-N 2 2 290.476 3.304 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637184 804465597 /nfs/dbraw/zinc/46/55/97/804465597.db2.gz PCSRXENNLCAIDE-IUODEOHRSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246637184 804465599 /nfs/dbraw/zinc/46/55/99/804465599.db2.gz PCSRXENNLCAIDE-IUODEOHRSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649502 804476805 /nfs/dbraw/zinc/47/68/05/804476805.db2.gz CBRSRIYUSFQQFV-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649502 804476809 /nfs/dbraw/zinc/47/68/09/804476809.db2.gz CBRSRIYUSFQQFV-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H]1CC([N@@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246657656 804482269 /nfs/dbraw/zinc/48/22/69/804482269.db2.gz XEWVHIALQBXJCF-STQMWFEESA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1CC([N@H+]2CC(F)(F)CC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246657656 804482270 /nfs/dbraw/zinc/48/22/70/804482270.db2.gz XEWVHIALQBXJCF-STQMWFEESA-N 2 2 286.410 3.274 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001140802119 804521536 /nfs/dbraw/zinc/52/15/36/804521536.db2.gz NTBLNVYLZQFEGN-STQMWFEESA-N 2 2 255.365 3.185 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H]1C ZINC001246826060 804539364 /nfs/dbraw/zinc/53/93/64/804539364.db2.gz AXWZFYUUYRDDHT-NJMOYASZSA-N 2 2 278.362 3.023 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H]([NH3+])C2)C[C@H]1C ZINC001246826060 804539370 /nfs/dbraw/zinc/53/93/70/804539370.db2.gz AXWZFYUUYRDDHT-NJMOYASZSA-N 2 2 278.362 3.023 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830309 804541107 /nfs/dbraw/zinc/54/11/07/804541107.db2.gz TVDDSLYKWXXOQM-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830309 804541111 /nfs/dbraw/zinc/54/11/11/804541111.db2.gz TVDDSLYKWXXOQM-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP c1ccc(CC[N@H+](Cc2ccccc2)[C@H]2CC[NH2+]C2)cc1 ZINC001246838435 804546965 /nfs/dbraw/zinc/54/69/65/804546965.db2.gz HOABCVSAMLNXSL-IBGZPJMESA-N 2 2 280.415 3.093 20 0 CGADLP c1ccc(CC[N@@H+](Cc2ccccc2)[C@H]2CC[NH2+]C2)cc1 ZINC001246838435 804546971 /nfs/dbraw/zinc/54/69/71/804546971.db2.gz HOABCVSAMLNXSL-IBGZPJMESA-N 2 2 280.415 3.093 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246841142 804549809 /nfs/dbraw/zinc/54/98/09/804549809.db2.gz TXXZSEARYWBVQF-WFASDCNBSA-N 2 2 266.816 3.302 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246841142 804549812 /nfs/dbraw/zinc/54/98/12/804549812.db2.gz TXXZSEARYWBVQF-WFASDCNBSA-N 2 2 266.816 3.302 20 0 CGADLP COc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001141223833 804612685 /nfs/dbraw/zinc/61/26/85/804612685.db2.gz RJTPFPPVCFYMFP-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1F ZINC001141223833 804612690 /nfs/dbraw/zinc/61/26/90/804612690.db2.gz RJTPFPPVCFYMFP-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CC1(C)C ZINC001141244400 804624156 /nfs/dbraw/zinc/62/41/56/804624156.db2.gz MAEADTRNNGLVBA-OAHLLOKOSA-N 2 2 269.392 3.350 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H]1CC1(C)C ZINC001141244400 804624160 /nfs/dbraw/zinc/62/41/60/804624160.db2.gz MAEADTRNNGLVBA-OAHLLOKOSA-N 2 2 269.392 3.350 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH+]1 ZINC001143026775 804797152 /nfs/dbraw/zinc/79/71/52/804797152.db2.gz FCFOGOANQGFTOP-HOTGVXAUSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH+]1 ZINC001143026775 804797159 /nfs/dbraw/zinc/79/71/59/804797159.db2.gz FCFOGOANQGFTOP-HOTGVXAUSA-N 2 2 269.392 3.489 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c2cc[nH]c21 ZINC001165300593 806990235 /nfs/dbraw/zinc/99/02/35/806990235.db2.gz RBOGSLWFGUJMGQ-CYBMUJFWSA-N 2 2 272.396 3.015 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c2cc[nH]c21 ZINC001165300593 806990239 /nfs/dbraw/zinc/99/02/39/806990239.db2.gz RBOGSLWFGUJMGQ-CYBMUJFWSA-N 2 2 272.396 3.015 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(F)c2)CC1 ZINC001143589794 804871337 /nfs/dbraw/zinc/87/13/37/804871337.db2.gz FPOHLZLLAXHDLC-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(F)c2)CC1 ZINC001143589794 804871344 /nfs/dbraw/zinc/87/13/44/804871344.db2.gz FPOHLZLLAXHDLC-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@H+](Cc1cc(F)cc(F)c1C)C1CC[NH+](C)CC1 ZINC001143763732 804892634 /nfs/dbraw/zinc/89/26/34/804892634.db2.gz BDTKUJNZAOHNGV-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@@H+](Cc1cc(F)cc(F)c1C)C1CC[NH+](C)CC1 ZINC001143763732 804892640 /nfs/dbraw/zinc/89/26/40/804892640.db2.gz BDTKUJNZAOHNGV-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[N@H+](Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001144717006 805039933 /nfs/dbraw/zinc/03/99/33/805039933.db2.gz VACSTHLJRSUGKO-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC001144717006 805039942 /nfs/dbraw/zinc/03/99/42/805039942.db2.gz VACSTHLJRSUGKO-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480011 805159135 /nfs/dbraw/zinc/15/91/35/805159135.db2.gz BRYOPEQQFLCZRH-UHFFFAOYSA-N 2 2 265.445 3.086 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480011 805159137 /nfs/dbraw/zinc/15/91/37/805159137.db2.gz BRYOPEQQFLCZRH-UHFFFAOYSA-N 2 2 265.445 3.086 20 0 CGADLP COc1ccc2[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)cc2c1 ZINC001154978605 805516973 /nfs/dbraw/zinc/51/69/73/805516973.db2.gz ROIGZUARQREJDQ-ZIAGYGMSSA-N 2 2 285.391 3.234 20 0 CGADLP Cc1nc(NCc2ccc3c(c2)CC[NH2+]C3)cc(C(C)C)[nH+]1 ZINC001155268097 805564514 /nfs/dbraw/zinc/56/45/14/805564514.db2.gz RPQIODRRLWRRMQ-UHFFFAOYSA-N 2 2 296.418 3.166 20 0 CGADLP CCC(CC)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299126 807094976 /nfs/dbraw/zinc/09/49/76/807094976.db2.gz UMDKUINHGOHFLW-HIFRSBDPSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257299126 807094984 /nfs/dbraw/zinc/09/49/84/807094984.db2.gz UMDKUINHGOHFLW-HIFRSBDPSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257299126 807094991 /nfs/dbraw/zinc/09/49/91/807094991.db2.gz UMDKUINHGOHFLW-HIFRSBDPSA-N 2 2 293.480 3.228 20 0 CGADLP CCC(CC)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257299126 807094999 /nfs/dbraw/zinc/09/49/99/807094999.db2.gz UMDKUINHGOHFLW-HIFRSBDPSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257314818 807101940 /nfs/dbraw/zinc/10/19/40/807101940.db2.gz ZVWUJLDDGGGEFL-KKUMJFAQSA-N 2 2 261.413 3.347 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001257316675 807103690 /nfs/dbraw/zinc/10/36/90/807103690.db2.gz HXNMTXGJHSVDIE-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001257316675 807103694 /nfs/dbraw/zinc/10/36/94/807103694.db2.gz HXNMTXGJHSVDIE-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC001167237849 807169948 /nfs/dbraw/zinc/16/99/48/807169948.db2.gz WNTFZCDWGMXWLU-UHFFFAOYSA-N 2 2 293.361 3.464 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC001167237849 807169954 /nfs/dbraw/zinc/16/99/54/807169954.db2.gz WNTFZCDWGMXWLU-UHFFFAOYSA-N 2 2 293.361 3.464 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001167838358 807259576 /nfs/dbraw/zinc/25/95/76/807259576.db2.gz TXYCLXWYLXMAIP-CVEARBPZSA-N 3 2 292.471 3.033 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001258016489 807265867 /nfs/dbraw/zinc/26/58/67/807265867.db2.gz IVZCFRYOFAZVBX-WBVHZDCISA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001258016489 807265874 /nfs/dbraw/zinc/26/58/74/807265874.db2.gz IVZCFRYOFAZVBX-WBVHZDCISA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947805 807280196 /nfs/dbraw/zinc/28/01/96/807280196.db2.gz HHDBEXVCKLQZEX-HALDLXJZSA-N 2 2 262.441 3.124 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947805 807280199 /nfs/dbraw/zinc/28/01/99/807280199.db2.gz HHDBEXVCKLQZEX-HALDLXJZSA-N 2 2 262.441 3.124 20 0 CGADLP COCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069263 807287565 /nfs/dbraw/zinc/28/75/65/807287565.db2.gz HFWDLPBNXQVFFF-IAGOWNOFSA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069263 807287569 /nfs/dbraw/zinc/28/75/69/807287569.db2.gz HFWDLPBNXQVFFF-IAGOWNOFSA-N 2 2 298.515 3.490 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258095163 807304351 /nfs/dbraw/zinc/30/43/51/807304351.db2.gz DSRXOPWEVNJBLD-HRCADAONSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258095163 807304360 /nfs/dbraw/zinc/30/43/60/807304360.db2.gz DSRXOPWEVNJBLD-HRCADAONSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258095163 807304369 /nfs/dbraw/zinc/30/43/69/807304369.db2.gz DSRXOPWEVNJBLD-HRCADAONSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258095163 807304376 /nfs/dbraw/zinc/30/43/76/807304376.db2.gz DSRXOPWEVNJBLD-HRCADAONSA-N 2 2 250.430 3.147 20 0 CGADLP F[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145141 807318801 /nfs/dbraw/zinc/31/88/01/807318801.db2.gz FJMCIAZQHDICSL-KRWDZBQOSA-N 2 2 290.426 3.127 20 0 CGADLP F[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258145141 807318805 /nfs/dbraw/zinc/31/88/05/807318805.db2.gz FJMCIAZQHDICSL-KRWDZBQOSA-N 2 2 290.426 3.127 20 0 CGADLP C[C@H]1CC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@H](C)C1 ZINC001258157070 807325998 /nfs/dbraw/zinc/32/59/98/807325998.db2.gz YURZMHPHEJDUIM-FMKPAKJESA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@H](C)C1 ZINC001258157070 807326006 /nfs/dbraw/zinc/32/60/06/807326006.db2.gz YURZMHPHEJDUIM-FMKPAKJESA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(C)c(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001168544956 807443039 /nfs/dbraw/zinc/44/30/39/807443039.db2.gz MVSKFJLJBHPBJD-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP CC1(C)CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)C1 ZINC001258601717 807500590 /nfs/dbraw/zinc/50/05/90/807500590.db2.gz ZOBLPCBADVMIJH-KURKYZTESA-N 2 2 299.462 3.024 20 0 CGADLP CCCc1cc(NCC(C)(C)C[NH+](C)C)nc(CCC)[nH+]1 ZINC001168766697 807507817 /nfs/dbraw/zinc/50/78/17/807507817.db2.gz QFSHZHQZKNMWIT-UHFFFAOYSA-N 2 2 292.471 3.381 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690160 807546294 /nfs/dbraw/zinc/54/62/94/807546294.db2.gz PAAHIVKFIIIZNB-BPUTZDHNSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690160 807546298 /nfs/dbraw/zinc/54/62/98/807546298.db2.gz PAAHIVKFIIIZNB-BPUTZDHNSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691196 807547095 /nfs/dbraw/zinc/54/70/95/807547095.db2.gz ZGFFXIWGMGRXMD-PMPSAXMXSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691196 807547098 /nfs/dbraw/zinc/54/70/98/807547098.db2.gz ZGFFXIWGMGRXMD-PMPSAXMXSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1[nH+]c2c(n1[C@H]1C[C@@H](C)CC(C)(C)C1)CC[NH2+]CC2 ZINC001258697914 807551684 /nfs/dbraw/zinc/55/16/84/807551684.db2.gz UGUKWUKCYHSBGT-OCCSQVGLSA-N 2 2 275.440 3.267 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1F ZINC001169094960 807574367 /nfs/dbraw/zinc/57/43/67/807574367.db2.gz NZRANHCHPYNPCQ-SYQHCUMBSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC001169094960 807574370 /nfs/dbraw/zinc/57/43/70/807574370.db2.gz NZRANHCHPYNPCQ-SYQHCUMBSA-N 2 2 262.372 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC001169099603 807576519 /nfs/dbraw/zinc/57/65/19/807576519.db2.gz CJOQPUMVOKGFPW-QKDCVEJESA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001169099603 807576523 /nfs/dbraw/zinc/57/65/23/807576523.db2.gz CJOQPUMVOKGFPW-QKDCVEJESA-N 2 2 278.827 3.363 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC001169117084 807580402 /nfs/dbraw/zinc/58/04/02/807580402.db2.gz VPMIQXGNVPAWQN-FVCCEPFGSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC001169117084 807580407 /nfs/dbraw/zinc/58/04/07/807580407.db2.gz VPMIQXGNVPAWQN-FVCCEPFGSA-N 2 2 280.362 3.241 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124899 807585620 /nfs/dbraw/zinc/58/56/20/807585620.db2.gz GMMYJKBJHOMYTL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124899 807585623 /nfs/dbraw/zinc/58/56/23/807585623.db2.gz GMMYJKBJHOMYTL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124899 807585626 /nfs/dbraw/zinc/58/56/26/807585626.db2.gz GMMYJKBJHOMYTL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124899 807585629 /nfs/dbraw/zinc/58/56/29/807585629.db2.gz GMMYJKBJHOMYTL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001169125303 807585998 /nfs/dbraw/zinc/58/59/98/807585998.db2.gz YNAZIDDZWIXAMV-RTCCRHLQSA-N 2 2 288.313 3.013 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001169125303 807586004 /nfs/dbraw/zinc/58/60/04/807586004.db2.gz YNAZIDDZWIXAMV-RTCCRHLQSA-N 2 2 288.313 3.013 20 0 CGADLP CN(C)c1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169150852 807594492 /nfs/dbraw/zinc/59/44/92/807594492.db2.gz DWFHNINDABTHEX-CXAGYDPISA-N 2 2 290.455 3.103 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258766896 807602248 /nfs/dbraw/zinc/60/22/48/807602248.db2.gz NNRYJBFFTKPQJM-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258766896 807602253 /nfs/dbraw/zinc/60/22/53/807602253.db2.gz NNRYJBFFTKPQJM-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258766896 807602256 /nfs/dbraw/zinc/60/22/56/807602256.db2.gz NNRYJBFFTKPQJM-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258766896 807602260 /nfs/dbraw/zinc/60/22/60/807602260.db2.gz NNRYJBFFTKPQJM-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC001258775787 807606935 /nfs/dbraw/zinc/60/69/35/807606935.db2.gz DNEBNIIGIYBUJM-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP CCC[NH+]1CCC([N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001258775787 807606937 /nfs/dbraw/zinc/60/69/37/807606937.db2.gz DNEBNIIGIYBUJM-UHFFFAOYSA-N 2 2 276.399 3.058 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C)o1 ZINC001169233796 807610750 /nfs/dbraw/zinc/61/07/50/807610750.db2.gz USXMTYDDRWVCQF-CQSZACIVSA-N 2 2 250.386 3.113 20 0 CGADLP Cc1[nH+]cn(C(CC(C)C)CC(C)C)c1CC[NH3+] ZINC001258831920 807647097 /nfs/dbraw/zinc/64/70/97/807647097.db2.gz VONBJMCFDWZROB-UHFFFAOYSA-N 2 2 251.418 3.326 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258836420 807650902 /nfs/dbraw/zinc/65/09/02/807650902.db2.gz WWBXVGPSCLAPSK-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258836420 807650905 /nfs/dbraw/zinc/65/09/05/807650905.db2.gz WWBXVGPSCLAPSK-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258836420 807650911 /nfs/dbraw/zinc/65/09/11/807650911.db2.gz WWBXVGPSCLAPSK-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258836420 807650916 /nfs/dbraw/zinc/65/09/16/807650916.db2.gz WWBXVGPSCLAPSK-DOTOQJQBSA-N 2 2 266.473 3.473 20 0 CGADLP COc1cccc2[nH+]c(NC(C)(C)CC[NH+](C)C)ccc21 ZINC001169716369 807696714 /nfs/dbraw/zinc/69/67/14/807696714.db2.gz RGUMFPZNTYKEIK-UHFFFAOYSA-N 2 2 287.407 3.386 20 0 CGADLP C[NH+](C)CCOc1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001212804283 815142716 /nfs/dbraw/zinc/14/27/16/815142716.db2.gz VPLDCDICEHUOQS-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP CCCCCC[C@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001170592656 807863329 /nfs/dbraw/zinc/86/33/29/807863329.db2.gz LMPMLIZTQDBWIS-AWEZNQCLSA-N 2 2 251.418 3.301 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCc1c(Cl)cccc1Cl ZINC001170882261 807924775 /nfs/dbraw/zinc/92/47/75/807924775.db2.gz RDRUMDPSDBTCEP-UHFFFAOYSA-N 2 2 289.250 3.466 20 0 CGADLP C[C@@H]([NH3+])CCNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001170890829 807925831 /nfs/dbraw/zinc/92/58/31/807925831.db2.gz HZWAEYSWFHDLFH-CYBMUJFWSA-N 2 2 280.375 3.175 20 0 CGADLP C/C(=C\C=C\[NH3+])n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168048 807999981 /nfs/dbraw/zinc/99/99/81/807999981.db2.gz ISYDBAQMUFUGIA-NIHBHEBJSA-N 2 2 269.392 3.173 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337570 808031923 /nfs/dbraw/zinc/03/19/23/808031923.db2.gz SOQPVEAUMCTNQG-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337570 808031929 /nfs/dbraw/zinc/03/19/29/808031929.db2.gz SOQPVEAUMCTNQG-OAHLLOKOSA-N 2 2 296.405 3.144 20 0 CGADLP Cc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001171613519 808105155 /nfs/dbraw/zinc/10/51/55/808105155.db2.gz MQAVOYMRFGHDDH-UHFFFAOYSA-N 2 2 275.440 3.131 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001171658637 808114580 /nfs/dbraw/zinc/11/45/80/808114580.db2.gz UDNSUPDEEVTIAW-WMZOPIPTSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001171658637 808114586 /nfs/dbraw/zinc/11/45/86/808114586.db2.gz UDNSUPDEEVTIAW-WMZOPIPTSA-N 2 2 274.452 3.388 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172321595 808230346 /nfs/dbraw/zinc/23/03/46/808230346.db2.gz MBEJRQQSPHPHSG-HOTGVXAUSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172321595 808230348 /nfs/dbraw/zinc/23/03/48/808230348.db2.gz MBEJRQQSPHPHSG-HOTGVXAUSA-N 2 2 278.440 3.041 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172322949 808231618 /nfs/dbraw/zinc/23/16/18/808231618.db2.gz ZJTCSSTXQASOLV-CVEARBPZSA-N 2 2 270.461 3.046 20 0 CGADLP Cc1[nH+]cn([C@H]2CC[C@@H](c3ccccc3)C2)c1CC[NH3+] ZINC001172545817 808375036 /nfs/dbraw/zinc/37/50/36/808375036.db2.gz GTUKRKZBEUCBSY-CVEARBPZSA-N 2 2 269.392 3.202 20 0 CGADLP Cc1[nH+]c2c(n1[C@H]1CC[C@@H](c3ccccc3)C1)CC[NH2+]CC2 ZINC001172564367 808391000 /nfs/dbraw/zinc/39/10/00/808391000.db2.gz VIEZXLNIOUQAME-SJORKVTESA-N 2 2 295.430 3.389 20 0 CGADLP CC1(C)CC([NH+]2CCC(n3cc[nH+]c3)CC2)CC(C)(C)O1 ZINC001172659310 808411810 /nfs/dbraw/zinc/41/18/10/808411810.db2.gz SOAOXQASOSZTNC-UHFFFAOYSA-N 2 2 291.439 3.256 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001173252140 808559172 /nfs/dbraw/zinc/55/91/72/808559172.db2.gz IMBWBUGMCJHOBX-OAHLLOKOSA-N 2 2 274.452 3.206 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001173252140 808559177 /nfs/dbraw/zinc/55/91/77/808559177.db2.gz IMBWBUGMCJHOBX-OAHLLOKOSA-N 2 2 274.452 3.206 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280568 808583061 /nfs/dbraw/zinc/58/30/61/808583061.db2.gz UUIHXODSWMLABZ-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280568 808583067 /nfs/dbraw/zinc/58/30/67/808583067.db2.gz UUIHXODSWMLABZ-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280568 808583073 /nfs/dbraw/zinc/58/30/73/808583073.db2.gz UUIHXODSWMLABZ-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280568 808583081 /nfs/dbraw/zinc/58/30/81/808583081.db2.gz UUIHXODSWMLABZ-VXNCWWDNSA-N 2 2 299.462 3.024 20 0 CGADLP CCC(CC)C[N@@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001275073865 808904730 /nfs/dbraw/zinc/90/47/30/808904730.db2.gz YCPZEAALDAHUDK-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP CCC(CC)C[N@H+]1CC[C@H]2C[NH+](C3CCCC3)C[C@H]21 ZINC001275073865 808904734 /nfs/dbraw/zinc/90/47/34/808904734.db2.gz YCPZEAALDAHUDK-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP CCC(CC)C[NH+]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275073865 808904736 /nfs/dbraw/zinc/90/47/36/808904736.db2.gz YCPZEAALDAHUDK-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP CCC(CC)C[NH+]1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275073865 808904740 /nfs/dbraw/zinc/90/47/40/808904740.db2.gz YCPZEAALDAHUDK-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP c1cn2cc(Nc3ccc[nH+]c3N3CCCCC3)ccc2[nH+]1 ZINC001174277086 808925542 /nfs/dbraw/zinc/92/55/42/808925542.db2.gz HTHHHJOGIOXYDV-UHFFFAOYSA-N 2 2 293.374 3.463 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807034 809098360 /nfs/dbraw/zinc/09/83/60/809098360.db2.gz KHYNDZNFVCDWSD-WMZOPIPTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807034 809098368 /nfs/dbraw/zinc/09/83/68/809098368.db2.gz KHYNDZNFVCDWSD-WMZOPIPTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807034 809098374 /nfs/dbraw/zinc/09/83/74/809098374.db2.gz KHYNDZNFVCDWSD-WMZOPIPTSA-N 2 2 289.467 3.491 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807034 809098381 /nfs/dbraw/zinc/09/83/81/809098381.db2.gz KHYNDZNFVCDWSD-WMZOPIPTSA-N 2 2 289.467 3.491 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884120 809563767 /nfs/dbraw/zinc/56/37/67/809563767.db2.gz ZHWUJMRJTBUVGR-DJIMGWMZSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884120 809563772 /nfs/dbraw/zinc/56/37/72/809563772.db2.gz ZHWUJMRJTBUVGR-DJIMGWMZSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)C1CCCCC1 ZINC001175884120 809563776 /nfs/dbraw/zinc/56/37/76/809563776.db2.gz ZHWUJMRJTBUVGR-DJIMGWMZSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)C1CCCCC1 ZINC001175884120 809563779 /nfs/dbraw/zinc/56/37/79/809563779.db2.gz ZHWUJMRJTBUVGR-DJIMGWMZSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC001179437145 809921105 /nfs/dbraw/zinc/92/11/05/809921105.db2.gz ANQPMBLJENFMFD-KRWDZBQOSA-N 2 2 281.359 3.316 20 0 CGADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cccc(F)c1 ZINC001180497907 810006043 /nfs/dbraw/zinc/00/60/43/810006043.db2.gz YWRZJAATYOIADW-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cccc(F)c1 ZINC001180497907 810006049 /nfs/dbraw/zinc/00/60/49/810006049.db2.gz YWRZJAATYOIADW-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(OC(C)(C)C)C1 ZINC001182874635 810128086 /nfs/dbraw/zinc/12/80/86/810128086.db2.gz SWDHBICLDLBYRJ-QQFBHYJXSA-N 2 2 282.472 3.043 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919260 810130466 /nfs/dbraw/zinc/13/04/66/810130466.db2.gz YDAQFEPTWCSRMQ-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182919260 810130467 /nfs/dbraw/zinc/13/04/67/810130467.db2.gz YDAQFEPTWCSRMQ-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1cccc(NCCNc2cc(C)[nH+]c(C3CCC3)n2)[nH+]1 ZINC001187695059 810418024 /nfs/dbraw/zinc/41/80/24/810418024.db2.gz SEJVHKAPIMCTLV-UHFFFAOYSA-N 2 2 297.406 3.280 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2cccc3cnccc32)[nH+]c1 ZINC001200902810 811762794 /nfs/dbraw/zinc/76/27/94/811762794.db2.gz WRZODXSPTDZCLO-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP CC(C)[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201426680 811839866 /nfs/dbraw/zinc/83/98/66/811839866.db2.gz GNOMWMOCBQOPGE-HNNXBMFYSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201426680 811839875 /nfs/dbraw/zinc/83/98/75/811839875.db2.gz GNOMWMOCBQOPGE-HNNXBMFYSA-N 2 2 250.430 3.147 20 0 CGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510316 811875280 /nfs/dbraw/zinc/87/52/80/811875280.db2.gz ZPFCLAQXBSGILF-RRFJBIMHSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510316 811875288 /nfs/dbraw/zinc/87/52/88/811875288.db2.gz ZPFCLAQXBSGILF-RRFJBIMHSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201510316 811875298 /nfs/dbraw/zinc/87/52/98/811875298.db2.gz ZPFCLAQXBSGILF-RRFJBIMHSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201510316 811875303 /nfs/dbraw/zinc/87/53/03/811875303.db2.gz ZPFCLAQXBSGILF-RRFJBIMHSA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201629752 811924094 /nfs/dbraw/zinc/92/40/94/811924094.db2.gz AIPLVRVYGWYDTB-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201629752 811924098 /nfs/dbraw/zinc/92/40/98/811924098.db2.gz AIPLVRVYGWYDTB-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201672372 811934221 /nfs/dbraw/zinc/93/42/21/811934221.db2.gz VYOLLYVVGLMTIJ-UHFFFAOYSA-N 2 2 274.452 3.424 20 0 CGADLP CC(C)[N@@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201672372 811934228 /nfs/dbraw/zinc/93/42/28/811934228.db2.gz VYOLLYVVGLMTIJ-UHFFFAOYSA-N 2 2 274.452 3.424 20 0 CGADLP CNc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001203456598 812364895 /nfs/dbraw/zinc/36/48/95/812364895.db2.gz LYRNHOSDQXCHLN-UHFFFAOYSA-N 2 2 282.391 3.463 20 0 CGADLP CNc1ccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c[nH+]1 ZINC001203462608 812368687 /nfs/dbraw/zinc/36/86/87/812368687.db2.gz WPXXGUCXVYXJNH-OAHLLOKOSA-N 2 2 298.390 3.252 20 0 CGADLP CN(c1ccc([NH+]2CCCCC2)cc1)c1cc(N)cc[nH+]1 ZINC001203719006 812440726 /nfs/dbraw/zinc/44/07/26/812440726.db2.gz OPTDYYWHXJANPK-UHFFFAOYSA-N 2 2 282.391 3.422 20 0 CGADLP CN(c1ccc(C[NH+]2CCCC2)cc1)c1[nH+]cccc1N ZINC001203773400 812459686 /nfs/dbraw/zinc/45/96/86/812459686.db2.gz KUGQFQHNPNNMJH-UHFFFAOYSA-N 2 2 282.391 3.028 20 0 CGADLP Cc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001204071161 812539914 /nfs/dbraw/zinc/53/99/14/812539914.db2.gz RMFTWUBMRFIANX-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001204071161 812539919 /nfs/dbraw/zinc/53/99/19/812539919.db2.gz RMFTWUBMRFIANX-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)F)c1 ZINC001204850946 812754491 /nfs/dbraw/zinc/75/44/91/812754491.db2.gz QLAHFWCJUVTLHJ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)F)c1 ZINC001204850946 812754496 /nfs/dbraw/zinc/75/44/96/812754496.db2.gz QLAHFWCJUVTLHJ-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001204944774 812790598 /nfs/dbraw/zinc/79/05/98/812790598.db2.gz BSOOVOHHIGAOMJ-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001204944774 812790603 /nfs/dbraw/zinc/79/06/03/812790603.db2.gz BSOOVOHHIGAOMJ-OAHLLOKOSA-N 2 2 260.406 3.215 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204945811 812791580 /nfs/dbraw/zinc/79/15/80/812791580.db2.gz JEFNXQFSFDNRET-QGZVFWFLSA-N 2 2 260.425 3.198 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204945811 812791585 /nfs/dbraw/zinc/79/15/85/812791585.db2.gz JEFNXQFSFDNRET-QGZVFWFLSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205069396 812846200 /nfs/dbraw/zinc/84/62/00/812846200.db2.gz ZBLXVHVORHIHIB-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205069396 812846210 /nfs/dbraw/zinc/84/62/10/812846210.db2.gz ZBLXVHVORHIHIB-HOCLYGCPSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1OC(C)C ZINC001205083651 812852974 /nfs/dbraw/zinc/85/29/74/812852974.db2.gz XOHJAURGVBOTAI-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1OC(C)C ZINC001205083651 812852984 /nfs/dbraw/zinc/85/29/84/812852984.db2.gz XOHJAURGVBOTAI-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205083540 812853865 /nfs/dbraw/zinc/85/38/65/812853865.db2.gz VTNFFKGVGQXWDO-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001205083540 812853874 /nfs/dbraw/zinc/85/38/74/812853874.db2.gz VTNFFKGVGQXWDO-GUYCJALGSA-N 2 2 299.393 3.199 20 0 CGADLP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1C(C)C ZINC001205326260 812956901 /nfs/dbraw/zinc/95/69/01/812956901.db2.gz XBOPSKIISUDOAI-CQSZACIVSA-N 2 2 276.424 3.002 20 0 CGADLP COc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1C(C)C ZINC001205326260 812956907 /nfs/dbraw/zinc/95/69/07/812956907.db2.gz XBOPSKIISUDOAI-CQSZACIVSA-N 2 2 276.424 3.002 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205817374 813094319 /nfs/dbraw/zinc/09/43/19/813094319.db2.gz QJFWLYSWDOILGP-TZMCWYRMSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205817374 813094328 /nfs/dbraw/zinc/09/43/28/813094328.db2.gz QJFWLYSWDOILGP-TZMCWYRMSA-N 2 2 271.408 3.036 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC001205868966 813113659 /nfs/dbraw/zinc/11/36/59/813113659.db2.gz YYZDVDCZPYHWLZ-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC001205868966 813113663 /nfs/dbraw/zinc/11/36/63/813113663.db2.gz YYZDVDCZPYHWLZ-RISCZKNCSA-N 2 2 260.406 3.070 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901189 813123377 /nfs/dbraw/zinc/12/33/77/813123377.db2.gz BSLLKVMKXOPYKK-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Cl ZINC001205901189 813123386 /nfs/dbraw/zinc/12/33/86/813123386.db2.gz BSLLKVMKXOPYKK-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1C(C)C ZINC001205931005 813138139 /nfs/dbraw/zinc/13/81/39/813138139.db2.gz FYJVXEHBIXVFBU-HNNXBMFYSA-N 2 2 276.424 3.132 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1C(C)C ZINC001205931005 813138145 /nfs/dbraw/zinc/13/81/45/813138145.db2.gz FYJVXEHBIXVFBU-HNNXBMFYSA-N 2 2 276.424 3.132 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205933131 813140303 /nfs/dbraw/zinc/14/03/03/813140303.db2.gz YRVKTNYWMXCHGV-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205933131 813140304 /nfs/dbraw/zinc/14/03/04/813140304.db2.gz YRVKTNYWMXCHGV-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206065273 813188358 /nfs/dbraw/zinc/18/83/58/813188358.db2.gz RZEXGSFOVXBQSO-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206065273 813188364 /nfs/dbraw/zinc/18/83/64/813188364.db2.gz RZEXGSFOVXBQSO-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCC2CCCC2)C1 ZINC001206334952 813293058 /nfs/dbraw/zinc/29/30/58/813293058.db2.gz BCZZXSBGKVKOGR-HNNXBMFYSA-N 2 2 256.409 3.110 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001206334952 813293063 /nfs/dbraw/zinc/29/30/63/813293063.db2.gz BCZZXSBGKVKOGR-HNNXBMFYSA-N 2 2 256.409 3.110 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344905 813297327 /nfs/dbraw/zinc/29/73/27/813297327.db2.gz XUNPQBWNSDTZML-QGZVFWFLSA-N 2 2 294.414 3.128 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206344905 813297331 /nfs/dbraw/zinc/29/73/31/813297331.db2.gz XUNPQBWNSDTZML-QGZVFWFLSA-N 2 2 294.414 3.128 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206363648 813304840 /nfs/dbraw/zinc/30/48/40/813304840.db2.gz YYVJZAZNDLWPEO-HNNXBMFYSA-N 2 2 286.341 3.277 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001206363648 813304845 /nfs/dbraw/zinc/30/48/45/813304845.db2.gz YYVJZAZNDLWPEO-HNNXBMFYSA-N 2 2 286.341 3.277 20 0 CGADLP CCOc1cc(Nc2c[nH+]c(N(C)C)cc2C)cc(C)[nH+]1 ZINC001206724124 813408051 /nfs/dbraw/zinc/40/80/51/813408051.db2.gz YRPYSQSBFWPVQB-UHFFFAOYSA-N 2 2 286.379 3.302 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1Nc1c[nH+]c2cccc(C)n12 ZINC001206730266 813409703 /nfs/dbraw/zinc/40/97/03/813409703.db2.gz YYDFFQPXNGIKSH-UHFFFAOYSA-N 2 2 281.363 3.156 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207058203 813476831 /nfs/dbraw/zinc/47/68/31/813476831.db2.gz MXBKEZXPOSPTIK-PNBKFKSVSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001207058203 813476833 /nfs/dbraw/zinc/47/68/33/813476833.db2.gz MXBKEZXPOSPTIK-PNBKFKSVSA-N 2 2 262.441 3.029 20 0 CGADLP C[NH+]1CCC([N@H+](CC2(C)CCOCC2)C2CCCC2)CC1 ZINC001208081596 813689679 /nfs/dbraw/zinc/68/96/79/813689679.db2.gz CDAHVKVDVPJMJT-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCC([N@@H+](CC2(C)CCOCC2)C2CCCC2)CC1 ZINC001208081596 813689683 /nfs/dbraw/zinc/68/96/83/813689683.db2.gz CDAHVKVDVPJMJT-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)o1 ZINC001208171231 813724164 /nfs/dbraw/zinc/72/41/64/813724164.db2.gz ZEESREXWAHYRSL-BMFZPTHFSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)o1 ZINC001208171231 813724170 /nfs/dbraw/zinc/72/41/70/813724170.db2.gz ZEESREXWAHYRSL-BMFZPTHFSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)o1 ZINC001208171231 813724173 /nfs/dbraw/zinc/72/41/73/813724173.db2.gz ZEESREXWAHYRSL-BMFZPTHFSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)o1 ZINC001208171231 813724178 /nfs/dbraw/zinc/72/41/78/813724178.db2.gz ZEESREXWAHYRSL-BMFZPTHFSA-N 2 2 276.424 3.108 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208171326 813725075 /nfs/dbraw/zinc/72/50/75/813725075.db2.gz VVLAIOBJHJTGGD-LUKYLMHMSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208171326 813725077 /nfs/dbraw/zinc/72/50/77/813725077.db2.gz VVLAIOBJHJTGGD-LUKYLMHMSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208171326 813725084 /nfs/dbraw/zinc/72/50/84/813725084.db2.gz VVLAIOBJHJTGGD-LUKYLMHMSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208171326 813725089 /nfs/dbraw/zinc/72/50/89/813725089.db2.gz VVLAIOBJHJTGGD-LUKYLMHMSA-N 2 2 262.441 3.005 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614394 813772636 /nfs/dbraw/zinc/77/26/36/813772636.db2.gz DDSOXRNUFFNRRU-CJNGLKHVSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614394 813772642 /nfs/dbraw/zinc/77/26/42/813772642.db2.gz DDSOXRNUFFNRRU-CJNGLKHVSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614394 813772645 /nfs/dbraw/zinc/77/26/45/813772645.db2.gz DDSOXRNUFFNRRU-CJNGLKHVSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001208614394 813772651 /nfs/dbraw/zinc/77/26/51/813772651.db2.gz DDSOXRNUFFNRRU-CJNGLKHVSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](C[NH+]1CCC([NH+]2CCC(F)CC2)CC1)C(F)(F)F ZINC001208906600 813893767 /nfs/dbraw/zinc/89/37/67/813893767.db2.gz YRTWQVAGNVKNNM-NSHDSACASA-N 2 2 296.352 3.083 20 0 CGADLP c1cc2c(o1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952032 813910809 /nfs/dbraw/zinc/91/08/09/813910809.db2.gz GNRGIVLKSHLPFC-QGZVFWFLSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952032 813910813 /nfs/dbraw/zinc/91/08/13/813910813.db2.gz GNRGIVLKSHLPFC-QGZVFWFLSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952032 813910818 /nfs/dbraw/zinc/91/08/18/813910818.db2.gz GNRGIVLKSHLPFC-QGZVFWFLSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952032 813910825 /nfs/dbraw/zinc/91/08/25/813910825.db2.gz GNRGIVLKSHLPFC-QGZVFWFLSA-N 2 2 296.414 3.160 20 0 CGADLP c1coc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC001209452686 814047779 /nfs/dbraw/zinc/04/77/79/814047779.db2.gz RODZIMPLPOIYFF-UHFFFAOYSA-N 2 2 262.397 3.120 20 0 CGADLP c1coc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC001209452686 814047782 /nfs/dbraw/zinc/04/77/82/814047782.db2.gz RODZIMPLPOIYFF-UHFFFAOYSA-N 2 2 262.397 3.120 20 0 CGADLP C[N@H+](Cc1ccc2ccccc2c1)Cc1c[nH+]ccc1N ZINC001209731401 814125279 /nfs/dbraw/zinc/12/52/79/814125279.db2.gz BVRSNOVLRIPUMW-UHFFFAOYSA-N 2 2 277.371 3.279 20 0 CGADLP C[N@@H+](Cc1ccc2ccccc2c1)Cc1c[nH+]ccc1N ZINC001209731401 814125283 /nfs/dbraw/zinc/12/52/83/814125283.db2.gz BVRSNOVLRIPUMW-UHFFFAOYSA-N 2 2 277.371 3.279 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242696760 823103907 /nfs/dbraw/zinc/10/39/07/823103907.db2.gz WXBILAGITKQJKU-INIZCTEOSA-N 2 2 285.435 3.488 20 0 CGADLP Cc1[nH+]cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1N ZINC001210291976 814387874 /nfs/dbraw/zinc/38/78/74/814387874.db2.gz WZGXBRZUSHBNMA-MRXNPFEDSA-N 2 2 298.390 3.101 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210495689 814490445 /nfs/dbraw/zinc/49/04/45/814490445.db2.gz AEJSVDXMANHIJT-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210495689 814490451 /nfs/dbraw/zinc/49/04/51/814490451.db2.gz AEJSVDXMANHIJT-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001210561538 814527914 /nfs/dbraw/zinc/52/79/14/814527914.db2.gz PKMUQTGUXOGHAK-UHFFFAOYSA-N 2 2 284.378 3.144 20 0 CGADLP c1cn2c(cccc2NC2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210703229 814588615 /nfs/dbraw/zinc/58/86/15/814588615.db2.gz ABEIEBKQSQRHNQ-HNNXBMFYSA-N 2 2 282.391 3.278 20 0 CGADLP COc1cc(Nc2cccc(C[NH+](C)C)c2F)cc(C)[nH+]1 ZINC001216227906 815746627 /nfs/dbraw/zinc/74/66/27/815746627.db2.gz KXAOMOBRHITMIY-UHFFFAOYSA-N 2 2 289.354 3.343 20 0 CGADLP c1c[nH+]c(-c2ccc(O[C@@H]3C[NH2+]Cc4ccccc43)cc2)[nH]1 ZINC001218490975 816244780 /nfs/dbraw/zinc/24/47/80/816244780.db2.gz TUNLUZFCCXYIBU-QGZVFWFLSA-N 2 2 291.354 3.300 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(F)c1F ZINC001222272493 816392439 /nfs/dbraw/zinc/39/24/39/816392439.db2.gz VGJPYROBDWZLAW-KRWDZBQOSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc(F)c1F ZINC001222272493 816392446 /nfs/dbraw/zinc/39/24/46/816392446.db2.gz VGJPYROBDWZLAW-KRWDZBQOSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292527 816398949 /nfs/dbraw/zinc/39/89/49/816398949.db2.gz DOOMRKXLPUDISO-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP Cc1c(F)cccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292642 816399465 /nfs/dbraw/zinc/39/94/65/816399465.db2.gz HZWNPYANVVAGDZ-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2c1 ZINC001222344648 816413537 /nfs/dbraw/zinc/41/35/37/816413537.db2.gz BELWXCRCTTXLFE-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c2c1 ZINC001222344648 816413541 /nfs/dbraw/zinc/41/35/41/816413541.db2.gz BELWXCRCTTXLFE-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)sc1C ZINC001222434547 816444723 /nfs/dbraw/zinc/44/47/23/816444723.db2.gz JRGHHAVRBAHIMX-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)sc1C ZINC001222434547 816444727 /nfs/dbraw/zinc/44/47/27/816444727.db2.gz JRGHHAVRBAHIMX-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@H]2C1 ZINC001231425245 818099148 /nfs/dbraw/zinc/09/91/48/818099148.db2.gz OKFQKBQPLMIKRB-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP Fc1ccc2c(c1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017096 818236300 /nfs/dbraw/zinc/23/63/00/818236300.db2.gz LBFFGJHWKCUYPQ-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1ccc2c(c1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232017096 818236305 /nfs/dbraw/zinc/23/63/05/818236305.db2.gz LBFFGJHWKCUYPQ-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cncc(-c2ccccc2)c1 ZINC001232896415 818467075 /nfs/dbraw/zinc/46/70/75/818467075.db2.gz BHXSCOLCCDESHB-UHFFFAOYSA-N 2 2 283.419 3.132 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cncc(-c2ccccc2)c1 ZINC001232896415 818467076 /nfs/dbraw/zinc/46/70/76/818467076.db2.gz BHXSCOLCCDESHB-UHFFFAOYSA-N 2 2 283.419 3.132 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235004668 818975931 /nfs/dbraw/zinc/97/59/31/818975931.db2.gz BQPKZIOHRFJBCG-UHFFFAOYSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235004668 818975937 /nfs/dbraw/zinc/97/59/37/818975937.db2.gz BQPKZIOHRFJBCG-UHFFFAOYSA-N 2 2 272.436 3.297 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235043097 818990734 /nfs/dbraw/zinc/99/07/34/818990734.db2.gz AAPUOYOFPDWASE-ZWKOTPCHSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235043097 818990742 /nfs/dbraw/zinc/99/07/42/818990742.db2.gz AAPUOYOFPDWASE-ZWKOTPCHSA-N 2 2 266.388 3.084 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112025 819006781 /nfs/dbraw/zinc/00/67/81/819006781.db2.gz UBCXGBYFTOINDZ-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112025 819006782 /nfs/dbraw/zinc/00/67/82/819006782.db2.gz UBCXGBYFTOINDZ-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235122436 819011528 /nfs/dbraw/zinc/01/15/28/819011528.db2.gz URKTYVKSOCTSBV-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)c1 ZINC001235122436 819011533 /nfs/dbraw/zinc/01/15/33/819011533.db2.gz URKTYVKSOCTSBV-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256137 819052348 /nfs/dbraw/zinc/05/23/48/819052348.db2.gz FQRCPJZQQIRTGG-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256137 819052353 /nfs/dbraw/zinc/05/23/53/819052353.db2.gz FQRCPJZQQIRTGG-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263306 819057017 /nfs/dbraw/zinc/05/70/17/819057017.db2.gz TZVLBGYVEIZMDB-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263306 819057021 /nfs/dbraw/zinc/05/70/21/819057021.db2.gz TZVLBGYVEIZMDB-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP C[NH2+]CC1CC[NH+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001235679246 819138667 /nfs/dbraw/zinc/13/86/67/819138667.db2.gz QWHSDHUFIQMYTC-UHFFFAOYSA-N 2 2 288.769 3.050 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235840538 819182462 /nfs/dbraw/zinc/18/24/62/819182462.db2.gz NORQUDSZRQXDJE-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]2)cc1 ZINC001235840538 819182467 /nfs/dbraw/zinc/18/24/67/819182467.db2.gz NORQUDSZRQXDJE-AEFFLSMTSA-N 2 2 288.435 3.364 20 0 CGADLP Fc1ccccc1CC1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC001235866327 819190130 /nfs/dbraw/zinc/19/01/30/819190130.db2.gz JJNLRYCGOKLXMU-KRWDZBQOSA-N 2 2 290.426 3.222 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2s1 ZINC001235894012 819203717 /nfs/dbraw/zinc/20/37/17/819203717.db2.gz ZCMIYDVMQHWAIU-AAEUAGOBSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001235894012 819203719 /nfs/dbraw/zinc/20/37/19/819203719.db2.gz ZCMIYDVMQHWAIU-AAEUAGOBSA-N 2 2 260.406 3.213 20 0 CGADLP Clc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235930952 819228994 /nfs/dbraw/zinc/22/89/94/819228994.db2.gz YPFMZXXPAXQVMI-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235930952 819228999 /nfs/dbraw/zinc/22/89/99/819228999.db2.gz YPFMZXXPAXQVMI-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935364 819231106 /nfs/dbraw/zinc/23/11/06/819231106.db2.gz UHOPBQAKBZRUTE-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001235935364 819231110 /nfs/dbraw/zinc/23/11/10/819231110.db2.gz UHOPBQAKBZRUTE-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235935371 819231237 /nfs/dbraw/zinc/23/12/37/819231237.db2.gz DKGVUQMEGPJGPR-NWDGAFQWSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235935371 819231238 /nfs/dbraw/zinc/23/12/38/819231238.db2.gz DKGVUQMEGPJGPR-NWDGAFQWSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(OC(F)(F)F)c1 ZINC001235947668 819238420 /nfs/dbraw/zinc/23/84/20/819238420.db2.gz MOICIFFVZFKOBJ-UHFFFAOYSA-N 2 2 290.329 3.063 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(OC(F)(F)F)c1 ZINC001235947668 819238424 /nfs/dbraw/zinc/23/84/24/819238424.db2.gz MOICIFFVZFKOBJ-UHFFFAOYSA-N 2 2 290.329 3.063 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956963 819245538 /nfs/dbraw/zinc/24/55/38/819245538.db2.gz IWZBZQXCYKBVAI-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235956963 819245540 /nfs/dbraw/zinc/24/55/40/819245540.db2.gz IWZBZQXCYKBVAI-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990621 819263139 /nfs/dbraw/zinc/26/31/39/819263139.db2.gz KLLBZXQNRVGTMD-RHSMWYFYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235990621 819263142 /nfs/dbraw/zinc/26/31/42/819263142.db2.gz KLLBZXQNRVGTMD-RHSMWYFYSA-N 2 2 284.428 3.338 20 0 CGADLP CC[N@H+](Cc1ccccc1C(F)F)[C@H]1CCC[NH2+]C1 ZINC001236005888 819271232 /nfs/dbraw/zinc/27/12/32/819271232.db2.gz GEJASBUXDWQAAS-ZDUSSCGKSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@@H+](Cc1ccccc1C(F)F)[C@H]1CCC[NH2+]C1 ZINC001236005888 819271240 /nfs/dbraw/zinc/27/12/40/819271240.db2.gz GEJASBUXDWQAAS-ZDUSSCGKSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046247 819283758 /nfs/dbraw/zinc/28/37/58/819283758.db2.gz FJVJWWRUBSBHJF-SMDDNHRTSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046247 819283761 /nfs/dbraw/zinc/28/37/61/819283761.db2.gz FJVJWWRUBSBHJF-SMDDNHRTSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050390 819287445 /nfs/dbraw/zinc/28/74/45/819287445.db2.gz RNOQXNDKUUGZSN-KDOFPFPSSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050390 819287449 /nfs/dbraw/zinc/28/74/49/819287449.db2.gz RNOQXNDKUUGZSN-KDOFPFPSSA-N 2 2 297.446 3.075 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050314 819288028 /nfs/dbraw/zinc/28/80/28/819288028.db2.gz HQIJUDBOXIPUFO-DYVFJYSZSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050314 819288033 /nfs/dbraw/zinc/28/80/33/819288033.db2.gz HQIJUDBOXIPUFO-DYVFJYSZSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061339 819294305 /nfs/dbraw/zinc/29/43/05/819294305.db2.gz QBXGCDRDPJQMGM-KBPBESRZSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061339 819294311 /nfs/dbraw/zinc/29/43/11/819294311.db2.gz QBXGCDRDPJQMGM-KBPBESRZSA-N 2 2 286.444 3.394 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1[NH3+] ZINC001236094496 819312282 /nfs/dbraw/zinc/31/22/82/819312282.db2.gz YPZGZRYFLKQUPP-YJYMSZOUSA-N 2 2 278.399 3.037 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1[NH3+] ZINC001236094496 819312289 /nfs/dbraw/zinc/31/22/89/819312289.db2.gz YPZGZRYFLKQUPP-YJYMSZOUSA-N 2 2 278.399 3.037 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201797 819366626 /nfs/dbraw/zinc/36/66/26/819366626.db2.gz NIYYPMNALGNFCL-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201797 819366631 /nfs/dbraw/zinc/36/66/31/819366631.db2.gz NIYYPMNALGNFCL-AWEZNQCLSA-N 2 2 286.341 3.279 20 0 CGADLP Cc1nc2cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2s1 ZINC001236205564 819367515 /nfs/dbraw/zinc/36/75/15/819367515.db2.gz GWSJUMOZEXTJTI-INIZCTEOSA-N 2 2 289.448 3.179 20 0 CGADLP Cc1nc2cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2s1 ZINC001236205564 819367517 /nfs/dbraw/zinc/36/75/17/819367517.db2.gz GWSJUMOZEXTJTI-INIZCTEOSA-N 2 2 289.448 3.179 20 0 CGADLP C[N@H+](Cc1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212997 819373679 /nfs/dbraw/zinc/37/36/79/819373679.db2.gz AQAYXKKORXJIGG-RBUKOAKNSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236212997 819373686 /nfs/dbraw/zinc/37/36/86/819373686.db2.gz AQAYXKKORXJIGG-RBUKOAKNSA-N 2 2 295.430 3.450 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001236238898 819398337 /nfs/dbraw/zinc/39/83/37/819398337.db2.gz DCGPEHCJRSXVBM-IBGZPJMESA-N 2 2 299.462 3.003 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc(N2CCCC2)c1 ZINC001236238898 819398344 /nfs/dbraw/zinc/39/83/44/819398344.db2.gz DCGPEHCJRSXVBM-IBGZPJMESA-N 2 2 299.462 3.003 20 0 CGADLP Cc1ncccc1C[N@H+](C)CCC[NH2+]C1CCCCC1 ZINC001236262311 819410672 /nfs/dbraw/zinc/41/06/72/819410672.db2.gz SWPNOZITEYGZRI-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP Cc1ncccc1C[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC001236262311 819410677 /nfs/dbraw/zinc/41/06/77/819410677.db2.gz SWPNOZITEYGZRI-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236408452 819455981 /nfs/dbraw/zinc/45/59/81/819455981.db2.gz MPVUETKFLZNLAU-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(Cl)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236408452 819455986 /nfs/dbraw/zinc/45/59/86/819455986.db2.gz MPVUETKFLZNLAU-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)ccc1OC(C)C ZINC001236421553 819467984 /nfs/dbraw/zinc/46/79/84/819467984.db2.gz UNILIHIUYAYMOE-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)ccc1OC(C)C ZINC001236421553 819467988 /nfs/dbraw/zinc/46/79/88/819467988.db2.gz UNILIHIUYAYMOE-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236436892 819478694 /nfs/dbraw/zinc/47/86/94/819478694.db2.gz MYLULYZPVLXAMX-UHFFFAOYSA-N 2 2 255.365 3.076 20 0 CGADLP c1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CCC[NH2+]C2)nc1 ZINC001236487188 819499703 /nfs/dbraw/zinc/49/97/03/819499703.db2.gz ODPYQLSYBNXEHA-SFHVURJKSA-N 2 2 287.451 3.216 20 0 CGADLP c1ccc(C[N@H+](CC2CCCCC2)[C@H]2CCC[NH2+]C2)nc1 ZINC001236487188 819499705 /nfs/dbraw/zinc/49/97/05/819499705.db2.gz ODPYQLSYBNXEHA-SFHVURJKSA-N 2 2 287.451 3.216 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC001236528749 819520153 /nfs/dbraw/zinc/52/01/53/819520153.db2.gz IRHUBHPYGNWCQS-CQSZACIVSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC001236528749 819520157 /nfs/dbraw/zinc/52/01/57/819520157.db2.gz IRHUBHPYGNWCQS-CQSZACIVSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236530917 819522774 /nfs/dbraw/zinc/52/27/74/819522774.db2.gz SSGJGLRXPMGVPM-CQSZACIVSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC001236530917 819522778 /nfs/dbraw/zinc/52/27/78/819522778.db2.gz SSGJGLRXPMGVPM-CQSZACIVSA-N 2 2 274.433 3.474 20 0 CGADLP CCC[N@@H+](Cc1c(Cl)cccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236834787 819613204 /nfs/dbraw/zinc/61/32/04/819613204.db2.gz HZAJRKBFIZASBS-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCC[N@H+](Cc1c(Cl)cccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236834787 819613207 /nfs/dbraw/zinc/61/32/07/819613207.db2.gz HZAJRKBFIZASBS-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CC(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914117 819636263 /nfs/dbraw/zinc/63/62/63/819636263.db2.gz QUNPDSIDIWFPLI-UHFFFAOYSA-N 2 2 263.772 3.366 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914117 819636264 /nfs/dbraw/zinc/63/62/64/819636264.db2.gz QUNPDSIDIWFPLI-UHFFFAOYSA-N 2 2 263.772 3.366 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2C)CC1 ZINC001237157292 819682474 /nfs/dbraw/zinc/68/24/74/819682474.db2.gz ANPZRQZVEKOZIU-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2C)CC1 ZINC001237157292 819682476 /nfs/dbraw/zinc/68/24/76/819682476.db2.gz ANPZRQZVEKOZIU-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CCc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)s1 ZINC001237157232 819682803 /nfs/dbraw/zinc/68/28/03/819682803.db2.gz SCPSJUZFVMUVHP-AWEZNQCLSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)s1 ZINC001237157232 819682806 /nfs/dbraw/zinc/68/28/06/819682806.db2.gz SCPSJUZFVMUVHP-AWEZNQCLSA-N 2 2 278.465 3.417 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001237203473 819697339 /nfs/dbraw/zinc/69/73/39/819697339.db2.gz GXVDCRVUZKPVNK-DYVFJYSZSA-N 2 2 284.378 3.414 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001237203473 819697344 /nfs/dbraw/zinc/69/73/44/819697344.db2.gz GXVDCRVUZKPVNK-DYVFJYSZSA-N 2 2 284.378 3.414 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237389011 819742700 /nfs/dbraw/zinc/74/27/00/819742700.db2.gz FIYIQDRYWUISTO-NWDGAFQWSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237389011 819742702 /nfs/dbraw/zinc/74/27/02/819742702.db2.gz FIYIQDRYWUISTO-NWDGAFQWSA-N 2 2 284.856 3.284 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407516 819745449 /nfs/dbraw/zinc/74/54/49/819745449.db2.gz XOPGGQMFCJIHLL-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407516 819745454 /nfs/dbraw/zinc/74/54/54/819745454.db2.gz XOPGGQMFCJIHLL-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC001237541917 819775782 /nfs/dbraw/zinc/77/57/82/819775782.db2.gz DMROXGMCSIHGQC-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC001237541917 819775786 /nfs/dbraw/zinc/77/57/86/819775786.db2.gz DMROXGMCSIHGQC-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@H]2C1 ZINC001237735213 819826208 /nfs/dbraw/zinc/82/62/08/819826208.db2.gz MUEJNLWKLNVHLB-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1sccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001237967832 819898593 /nfs/dbraw/zinc/89/85/93/819898593.db2.gz GXXIWLQZXXYQOV-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3c[nH+]cn32)cn1 ZINC001238111786 819936455 /nfs/dbraw/zinc/93/64/55/819936455.db2.gz XYZZGPXBBSQQNW-GOSISDBHSA-N 2 2 292.386 3.375 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc3c[nH+]cn32)cn1 ZINC001238111786 819936457 /nfs/dbraw/zinc/93/64/57/819936457.db2.gz XYZZGPXBBSQQNW-GOSISDBHSA-N 2 2 292.386 3.375 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ncc1Cl ZINC001238423763 819991730 /nfs/dbraw/zinc/99/17/30/819991730.db2.gz TTWSNUXPMYNJJA-UHFFFAOYSA-N 2 2 290.798 3.077 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001238475572 820016277 /nfs/dbraw/zinc/01/62/77/820016277.db2.gz GEOUWEYIWRQLOH-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001238475572 820016287 /nfs/dbraw/zinc/01/62/87/820016287.db2.gz GEOUWEYIWRQLOH-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CSc1cc(C)cc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001238687735 820087287 /nfs/dbraw/zinc/08/72/87/820087287.db2.gz FUDVGYHBTVZIOG-UHFFFAOYSA-N 2 2 290.476 3.387 20 0 CGADLP c1cn(Cc2ccc(-c3cccc4c3C[NH2+]CC4)cc2)c[nH+]1 ZINC001243659350 823477578 /nfs/dbraw/zinc/47/75/78/823477578.db2.gz UKZXQVOTQGTSBL-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccnc2C2CC2)C1 ZINC001243691721 823487932 /nfs/dbraw/zinc/48/79/32/823487932.db2.gz VADGOTPDCFURGS-INIZCTEOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2C2CC2)C1 ZINC001243691721 823487933 /nfs/dbraw/zinc/48/79/33/823487933.db2.gz VADGOTPDCFURGS-INIZCTEOSA-N 2 2 293.414 3.159 20 0 CGADLP COc1ccc(C)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239768447 820589083 /nfs/dbraw/zinc/58/90/83/820589083.db2.gz KXWKHQLZRWWMTO-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239768447 820589090 /nfs/dbraw/zinc/58/90/90/820589090.db2.gz KXWKHQLZRWWMTO-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239822224 820637439 /nfs/dbraw/zinc/63/74/39/820637439.db2.gz BBFAIXMBEGGQNO-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239822224 820637444 /nfs/dbraw/zinc/63/74/44/820637444.db2.gz BBFAIXMBEGGQNO-KRWDZBQOSA-N 2 2 284.378 3.334 20 0 CGADLP c1cn2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2[nH+]1 ZINC001240219670 820894180 /nfs/dbraw/zinc/89/41/80/820894180.db2.gz RBZKWXJAVKENGC-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP CC[NH+](CC)Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1 ZINC001241580936 821967399 /nfs/dbraw/zinc/96/73/99/821967399.db2.gz OPHWCLYGIPQLRU-UHFFFAOYSA-N 2 2 294.402 3.425 20 0 CGADLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1N ZINC001241886011 822195248 /nfs/dbraw/zinc/19/52/48/822195248.db2.gz KTNFBVTYEKGDDC-GOSISDBHSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc(C)c1N ZINC001241886011 822195251 /nfs/dbraw/zinc/19/52/51/822195251.db2.gz KTNFBVTYEKGDDC-GOSISDBHSA-N 2 2 295.430 3.086 20 0 CGADLP c1cc(C[NH+]2CCCC2)cc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001242119978 822884890 /nfs/dbraw/zinc/88/48/90/822884890.db2.gz OHCURTGRGXHSDR-UHFFFAOYSA-N 2 2 293.414 3.345 20 0 CGADLP Cc1cnc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)s1 ZINC001342962326 936485668 /nfs/dbraw/zinc/48/56/68/936485668.db2.gz ZHLGEBLTUBEKGM-DKUMPPAJSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1cnc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)s1 ZINC001342962326 936485671 /nfs/dbraw/zinc/48/56/71/936485671.db2.gz ZHLGEBLTUBEKGM-DKUMPPAJSA-N 2 2 291.464 3.117 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CCCC(F)(F)F ZINC001343207386 936490412 /nfs/dbraw/zinc/49/04/12/936490412.db2.gz ZGICQUFFYDBAFL-LBPRGKRZSA-N 2 2 266.351 3.039 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001343237268 936491867 /nfs/dbraw/zinc/49/18/67/936491867.db2.gz BIFDZCIQVRZPHZ-NVXWUHKLSA-N 2 2 287.451 3.347 20 0 CGADLP C[C@H]([NH2+]CCc1coc(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC001345469555 936811564 /nfs/dbraw/zinc/81/15/64/936811564.db2.gz HWXSSOAVDTVORB-YOEHRIQHSA-N 2 2 299.418 3.004 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001345470046 936811582 /nfs/dbraw/zinc/81/15/82/936811582.db2.gz NVOATGDGEGGYFQ-QWHCGFSZSA-N 2 2 270.779 3.229 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001352106774 937036868 /nfs/dbraw/zinc/03/68/68/937036868.db2.gz MMLCSXFGSKEKSY-MRXNPFEDSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001352106774 937036871 /nfs/dbraw/zinc/03/68/71/937036871.db2.gz MMLCSXFGSKEKSY-MRXNPFEDSA-N 2 2 295.496 3.463 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000166652323 932007646 /nfs/dbraw/zinc/00/76/46/932007646.db2.gz ILZXIMMEFBIAAL-ZDUSSCGKSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000166652323 932007651 /nfs/dbraw/zinc/00/76/51/932007651.db2.gz ILZXIMMEFBIAAL-ZDUSSCGKSA-N 2 2 277.799 3.135 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC001462386480 937637416 /nfs/dbraw/zinc/63/74/16/937637416.db2.gz KMSVZMNQYNJTSP-LUKYLMHMSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC001462386480 937637417 /nfs/dbraw/zinc/63/74/17/937637417.db2.gz KMSVZMNQYNJTSP-LUKYLMHMSA-N 2 2 294.483 3.185 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H](C)CCc1ccccc1)C1CC1 ZINC001308237864 933078749 /nfs/dbraw/zinc/07/87/49/933078749.db2.gz ODHROVAAVRMPHI-INIZCTEOSA-N 2 2 274.452 3.329 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H](C)CCc1ccccc1)C1CC1 ZINC001308237864 933078756 /nfs/dbraw/zinc/07/87/56/933078756.db2.gz ODHROVAAVRMPHI-INIZCTEOSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001308288387 933088860 /nfs/dbraw/zinc/08/88/60/933088860.db2.gz VXAXZZGXSLLLSA-IAGOWNOFSA-N 2 2 274.452 3.187 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001308288387 933088864 /nfs/dbraw/zinc/08/88/64/933088864.db2.gz VXAXZZGXSLLLSA-IAGOWNOFSA-N 2 2 274.452 3.187 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001308397031 933105386 /nfs/dbraw/zinc/10/53/86/933105386.db2.gz WAPGCRRGFCKNIB-JYJNAYRXSA-N 2 2 296.499 3.290 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001308397031 933105389 /nfs/dbraw/zinc/10/53/89/933105389.db2.gz WAPGCRRGFCKNIB-JYJNAYRXSA-N 2 2 296.499 3.290 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1CCC2 ZINC001308450962 933112789 /nfs/dbraw/zinc/11/27/89/933112789.db2.gz LUQWQKGAVTWPLK-OALUTQOASA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1CCC2 ZINC001308450962 933112790 /nfs/dbraw/zinc/11/27/90/933112790.db2.gz LUQWQKGAVTWPLK-OALUTQOASA-N 2 2 284.447 3.282 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001308967014 933216585 /nfs/dbraw/zinc/21/65/85/933216585.db2.gz HPXMNTAOXHJRGT-CQSZACIVSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001308967014 933216589 /nfs/dbraw/zinc/21/65/89/933216589.db2.gz HPXMNTAOXHJRGT-CQSZACIVSA-N 2 2 284.806 3.096 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001308974439 933217102 /nfs/dbraw/zinc/21/71/02/933217102.db2.gz IENKPYQNSHGGCR-MRXNPFEDSA-N 2 2 292.854 3.129 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001308974439 933217108 /nfs/dbraw/zinc/21/71/08/933217108.db2.gz IENKPYQNSHGGCR-MRXNPFEDSA-N 2 2 292.854 3.129 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001320532020 934061300 /nfs/dbraw/zinc/06/13/00/934061300.db2.gz LZIDOTIQIDQZJS-SUMWQHHRSA-N 2 2 298.390 3.196 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1=CCCCC1 ZINC001321831556 934216989 /nfs/dbraw/zinc/21/69/89/934216989.db2.gz GNDTTYPPVBVBSD-UHFFFAOYSA-N 2 2 296.374 3.405 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001322634357 934322661 /nfs/dbraw/zinc/32/26/61/934322661.db2.gz SVCQARJFGPEKEJ-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001322634357 934322672 /nfs/dbraw/zinc/32/26/72/934322672.db2.gz SVCQARJFGPEKEJ-MAUKXSAKSA-N 2 2 295.430 3.464 20 0 CGADLP C/C=C(/C=C\C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC ZINC001323989256 934446674 /nfs/dbraw/zinc/44/66/74/934446674.db2.gz CXUAGRIZZAGXPX-UZGGPFDCSA-N 2 2 296.374 3.427 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001328394161 935133934 /nfs/dbraw/zinc/13/39/34/935133934.db2.gz NZKNMOBAKYXXIN-HZMVEIRTSA-N 2 2 287.451 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001328394161 935133936 /nfs/dbraw/zinc/13/39/36/935133936.db2.gz NZKNMOBAKYXXIN-HZMVEIRTSA-N 2 2 287.451 3.111 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC001328690154 935159245 /nfs/dbraw/zinc/15/92/45/935159245.db2.gz VQJIONPPYQYSOK-GFCCVEGCSA-N 2 2 284.806 3.442 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC1(C)C ZINC001328690154 935159249 /nfs/dbraw/zinc/15/92/49/935159249.db2.gz VQJIONPPYQYSOK-GFCCVEGCSA-N 2 2 284.806 3.442 20 0 CGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001329734760 935242133 /nfs/dbraw/zinc/24/21/33/935242133.db2.gz HPRHWMKYTPIZAY-QGZVFWFLSA-N 2 2 298.434 3.060 20 0 CGADLP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001329734760 935242138 /nfs/dbraw/zinc/24/21/38/935242138.db2.gz HPRHWMKYTPIZAY-QGZVFWFLSA-N 2 2 298.434 3.060 20 0 CGADLP CCC[C@H](CC)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001329792857 935246066 /nfs/dbraw/zinc/24/60/66/935246066.db2.gz MQHLCWUHRAPWIY-ZDUSSCGKSA-N 2 2 286.379 3.341 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001332944499 935499152 /nfs/dbraw/zinc/49/91/52/935499152.db2.gz CJKKFUXORPGDMK-XNJGSVPQSA-N 2 2 258.409 3.040 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCCC(F)(F)F ZINC001333657292 935557532 /nfs/dbraw/zinc/55/75/32/935557532.db2.gz BMLWKYRSGOOZNL-LLVKDONJSA-N 2 2 277.334 3.230 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001473970790 937833108 /nfs/dbraw/zinc/83/31/08/937833108.db2.gz HYWDEVGRERIGQE-UHFFFAOYSA-N 2 2 293.773 3.230 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323696 937851195 /nfs/dbraw/zinc/85/11/95/937851195.db2.gz SDIOKTWVKYKEIN-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323696 937851197 /nfs/dbraw/zinc/85/11/97/937851197.db2.gz SDIOKTWVKYKEIN-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(C)n1 ZINC001474323696 937851199 /nfs/dbraw/zinc/85/11/99/937851199.db2.gz SDIOKTWVKYKEIN-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C)n1 ZINC001474323696 937851201 /nfs/dbraw/zinc/85/12/01/937851201.db2.gz SDIOKTWVKYKEIN-HKUYNNGSSA-N 2 2 299.462 3.147 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651315 937873169 /nfs/dbraw/zinc/87/31/69/937873169.db2.gz LBYDHTPSLQLROL-BEFAXECRSA-N 2 2 286.463 3.180 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651315 937873171 /nfs/dbraw/zinc/87/31/71/937873171.db2.gz LBYDHTPSLQLROL-BEFAXECRSA-N 2 2 286.463 3.180 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549088009 938155046 /nfs/dbraw/zinc/15/50/46/938155046.db2.gz CIZNZMQQYQJNRR-MLGOLLRUSA-N 2 2 293.480 3.001 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(C[NH3+])C2)s1 ZINC001549088009 938155047 /nfs/dbraw/zinc/15/50/47/938155047.db2.gz CIZNZMQQYQJNRR-MLGOLLRUSA-N 2 2 293.480 3.001 20 0 CGADLP CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001550349405 938166200 /nfs/dbraw/zinc/16/62/00/938166200.db2.gz QPKODEBDLKEYCO-DZGCQCFKSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001550349405 938166201 /nfs/dbraw/zinc/16/62/01/938166201.db2.gz QPKODEBDLKEYCO-DZGCQCFKSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC001550623327 938168863 /nfs/dbraw/zinc/16/88/63/938168863.db2.gz QHFNRHJFOJBEJR-GOSISDBHSA-N 2 2 297.446 3.459 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC001550623327 938168864 /nfs/dbraw/zinc/16/88/64/938168864.db2.gz QHFNRHJFOJBEJR-GOSISDBHSA-N 2 2 297.446 3.459 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC001551378329 938180591 /nfs/dbraw/zinc/18/05/91/938180591.db2.gz OQXKKWJAHUOFHT-HLLBOEOZSA-N 2 2 284.428 3.340 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001551378943 938180621 /nfs/dbraw/zinc/18/06/21/938180621.db2.gz VJGBROLTEGHWHP-NZBPQXDJSA-N 2 2 298.352 3.322 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001551378949 938180646 /nfs/dbraw/zinc/18/06/46/938180646.db2.gz VJGBROLTEGHWHP-RJZRQDKASA-N 2 2 298.352 3.322 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001560246103 938249246 /nfs/dbraw/zinc/24/92/46/938249246.db2.gz HSLLHVNGGFOCRZ-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001560246103 938249247 /nfs/dbraw/zinc/24/92/47/938249247.db2.gz HSLLHVNGGFOCRZ-SFHVURJKSA-N 2 2 272.436 3.139 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560929083 938284329 /nfs/dbraw/zinc/28/43/29/938284329.db2.gz MMDWJOCCPLSPDL-XGUBFFRZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)C1 ZINC001560929083 938284330 /nfs/dbraw/zinc/28/43/30/938284330.db2.gz MMDWJOCCPLSPDL-XGUBFFRZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC001575530880 962384077 /nfs/dbraw/zinc/38/40/77/962384077.db2.gz IXJJPTKBKHAZHI-AWEZNQCLSA-N 2 2 272.795 3.332 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576503332 962468952 /nfs/dbraw/zinc/46/89/52/962468952.db2.gz OQWDODRLVKYELL-CQSZACIVSA-N 2 2 287.234 3.207 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576503332 962468956 /nfs/dbraw/zinc/46/89/56/962468956.db2.gz OQWDODRLVKYELL-CQSZACIVSA-N 2 2 287.234 3.207 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001577049750 962512486 /nfs/dbraw/zinc/51/24/86/962512486.db2.gz DTXUMIXQSDSPSG-HZPDHXFCSA-N 2 2 260.425 3.417 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001578194333 962573569 /nfs/dbraw/zinc/57/35/69/962573569.db2.gz MPHIAIVJJUUIGS-STQMWFEESA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001578194333 962573579 /nfs/dbraw/zinc/57/35/79/962573579.db2.gz MPHIAIVJJUUIGS-STQMWFEESA-N 2 2 296.842 3.155 20 0 CGADLP COc1cccc2cc(C[NH2+][C@@](C)(C[NH3+])CC(C)C)oc21 ZINC001579294382 962620688 /nfs/dbraw/zinc/62/06/88/962620688.db2.gz YMRQFBUHFXEBPR-QGZVFWFLSA-N 2 2 290.407 3.295 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001579499625 962625359 /nfs/dbraw/zinc/62/53/59/962625359.db2.gz ZBNMGRJIMAOERT-BXUZGUMPSA-N 2 2 286.341 3.022 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)o1 ZINC001579612702 962647787 /nfs/dbraw/zinc/64/77/87/962647787.db2.gz RNSPXWBMQUXNHX-INIZCTEOSA-N 2 2 288.366 3.221 20 0 CGADLP c1nc(-c2ccccc2)oc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC001580892018 962745616 /nfs/dbraw/zinc/74/56/16/962745616.db2.gz MFZPRCCHGPHFJB-UHFFFAOYSA-N 2 2 297.402 3.060 20 0 CGADLP c1nc(-c2ccccc2)oc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC001580892018 962745630 /nfs/dbraw/zinc/74/56/30/962745630.db2.gz MFZPRCCHGPHFJB-UHFFFAOYSA-N 2 2 297.402 3.060 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)oc1C ZINC000337396289 214053568 /nfs/dbraw/zinc/05/35/68/214053568.db2.gz NHFCJWCZJHYYDE-AWEZNQCLSA-N 2 2 264.413 3.423 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337418157 214070460 /nfs/dbraw/zinc/07/04/60/214070460.db2.gz PVQGNTRGLDGNGD-KBAYOESNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337418157 214070464 /nfs/dbraw/zinc/07/04/64/214070464.db2.gz PVQGNTRGLDGNGD-KBAYOESNSA-N 2 2 284.447 3.429 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000621328119 349496203 /nfs/dbraw/zinc/49/62/03/349496203.db2.gz HCSHAOWMBMCBOC-LBPRGKRZSA-N 2 2 263.410 3.075 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000651225513 398218518 /nfs/dbraw/zinc/21/85/18/398218518.db2.gz FRPRHCKGRQLFSE-GJZGRUSLSA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000651225513 398218519 /nfs/dbraw/zinc/21/85/19/398218519.db2.gz FRPRHCKGRQLFSE-GJZGRUSLSA-N 2 2 264.438 3.273 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC000337503863 214125908 /nfs/dbraw/zinc/12/59/08/214125908.db2.gz GGUPLEKJERLYDO-MJGOQNOKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC000337503863 214125909 /nfs/dbraw/zinc/12/59/09/214125909.db2.gz GGUPLEKJERLYDO-MJGOQNOKSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc12 ZINC000337518789 214134435 /nfs/dbraw/zinc/13/44/35/214134435.db2.gz SCULTLNBUQTLNJ-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc12 ZINC000337518789 214134438 /nfs/dbraw/zinc/13/44/38/214134438.db2.gz SCULTLNBUQTLNJ-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000294960946 199272306 /nfs/dbraw/zinc/27/23/06/199272306.db2.gz DWDOITNCYUCLLL-LUYZLQTOSA-N 2 2 278.465 3.019 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000125012246 187165517 /nfs/dbraw/zinc/16/55/17/187165517.db2.gz ZZYDLHFALRISOR-QAPCUYQASA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000125012246 187165518 /nfs/dbraw/zinc/16/55/18/187165518.db2.gz ZZYDLHFALRISOR-QAPCUYQASA-N 2 2 299.418 3.044 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cnccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000651650433 398262344 /nfs/dbraw/zinc/26/23/44/398262344.db2.gz NCEYDWBYYNFEBO-CZUORRHYSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cnccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000651650433 398262345 /nfs/dbraw/zinc/26/23/45/398262345.db2.gz NCEYDWBYYNFEBO-CZUORRHYSA-N 2 2 296.374 3.107 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC(C)(C)C3)n2c1 ZINC000350704859 219050654 /nfs/dbraw/zinc/05/06/54/219050654.db2.gz YJDHCGIXDDRDIS-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC(C)(C)C3)n2c1 ZINC000350704860 219051161 /nfs/dbraw/zinc/05/11/61/219051161.db2.gz YJDHCGIXDDRDIS-ZDUSSCGKSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000651929141 398308715 /nfs/dbraw/zinc/30/87/15/398308715.db2.gz DXBYLNFCICVGHA-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652060701 398321612 /nfs/dbraw/zinc/32/16/12/398321612.db2.gz DBNMAPMTHXGMNZ-CYBMUJFWSA-N 2 2 287.382 3.204 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652060701 398321614 /nfs/dbraw/zinc/32/16/14/398321614.db2.gz DBNMAPMTHXGMNZ-CYBMUJFWSA-N 2 2 287.382 3.204 20 0 CGADLP CCc1cc[nH+]cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000651979242 398314586 /nfs/dbraw/zinc/31/45/86/398314586.db2.gz DTTOLJZINBYOQL-UHFFFAOYSA-N 2 2 296.418 3.116 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000652133863 398325164 /nfs/dbraw/zinc/32/51/64/398325164.db2.gz AXCTXFMNECZVTE-MRXNPFEDSA-N 2 2 275.371 3.399 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423485275 529453198 /nfs/dbraw/zinc/45/31/98/529453198.db2.gz ZATBOYVOCFMNAD-IUCAKERBSA-N 2 2 261.196 3.381 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423303983 282955186 /nfs/dbraw/zinc/95/51/86/282955186.db2.gz XWAXGBKPXJUYDQ-HUUCEWRRSA-N 2 2 284.831 3.135 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000125884534 187203703 /nfs/dbraw/zinc/20/37/03/187203703.db2.gz STRUCQSMHSKJDA-OKILXGFUSA-N 2 2 264.413 3.046 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000125884534 187203704 /nfs/dbraw/zinc/20/37/04/187203704.db2.gz STRUCQSMHSKJDA-OKILXGFUSA-N 2 2 264.413 3.046 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000423455830 529569110 /nfs/dbraw/zinc/56/91/10/529569110.db2.gz CYZMQMOOGOUXRT-ZYHUDNBSSA-N 2 2 272.339 3.066 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC1(C)C ZINC000414131109 529589951 /nfs/dbraw/zinc/58/99/51/529589951.db2.gz XJVBUYXVQKCWCI-HOTGVXAUSA-N 2 2 296.499 3.290 20 0 CGADLP FC(F)C[NH+]1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000623088772 349758008 /nfs/dbraw/zinc/75/80/08/349758008.db2.gz DAKBNEFKLKDPCD-QPJJXVBHSA-N 2 2 294.389 3.267 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423514304 529616777 /nfs/dbraw/zinc/61/67/77/529616777.db2.gz WFHAMCXPQRIXHF-QZTJIDSGSA-N 2 2 272.436 3.417 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)ccn1 ZINC000623412855 349801629 /nfs/dbraw/zinc/80/16/29/349801629.db2.gz AFTDAMGUBRKDCT-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623412855 349801630 /nfs/dbraw/zinc/80/16/30/349801630.db2.gz AFTDAMGUBRKDCT-MRXNPFEDSA-N 2 2 283.419 3.000 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)o1 ZINC000423252954 529706787 /nfs/dbraw/zinc/70/67/87/529706787.db2.gz YILPBAWUYXNUGR-IUODEOHRSA-N 2 2 258.365 3.193 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431337 349807633 /nfs/dbraw/zinc/80/76/33/349807633.db2.gz BGESSPMBCULPSA-OLZOCXBDSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431337 349807637 /nfs/dbraw/zinc/80/76/37/349807637.db2.gz BGESSPMBCULPSA-OLZOCXBDSA-N 2 2 294.414 3.358 20 0 CGADLP CO[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)CC1(C)C ZINC000294998652 199292057 /nfs/dbraw/zinc/29/20/57/199292057.db2.gz LCTCOKIHKOYXHP-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP CO[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)CC1(C)C ZINC000294998652 199292058 /nfs/dbraw/zinc/29/20/58/199292058.db2.gz LCTCOKIHKOYXHP-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2COc3ccccc32)c[nH+]1 ZINC000351232466 219087774 /nfs/dbraw/zinc/08/77/74/219087774.db2.gz YAFYGSIVHOSUAL-QAPCUYQASA-N 2 2 296.414 3.477 20 0 CGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000623852760 349896374 /nfs/dbraw/zinc/89/63/74/349896374.db2.gz AMYINGZJUFOWMO-HNNXBMFYSA-N 2 2 282.790 3.152 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471600716 282962541 /nfs/dbraw/zinc/96/25/41/282962541.db2.gz DLHQCXDGCYSBJN-KBAYOESNSA-N 2 2 292.467 3.473 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000623895516 349908142 /nfs/dbraw/zinc/90/81/42/349908142.db2.gz SQOMXLHWSGNCBE-STQMWFEESA-N 2 2 283.485 3.469 20 0 CGADLP CCC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000351593387 219137011 /nfs/dbraw/zinc/13/70/11/219137011.db2.gz NIAHBYDSJDEDIU-AWEZNQCLSA-N 2 2 257.381 3.489 20 0 CGADLP CCC[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000351593387 219137012 /nfs/dbraw/zinc/13/70/12/219137012.db2.gz NIAHBYDSJDEDIU-AWEZNQCLSA-N 2 2 257.381 3.489 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423223945 529978542 /nfs/dbraw/zinc/97/85/42/529978542.db2.gz IAUYLDJKLIJHBZ-KRWDZBQOSA-N 2 2 290.357 3.058 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423225929 529978921 /nfs/dbraw/zinc/97/89/21/529978921.db2.gz OTXKIWCKNMRLHK-SECBINFHSA-N 2 2 297.196 3.065 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000423227229 529978941 /nfs/dbraw/zinc/97/89/41/529978941.db2.gz UZLNLLPYZPFRDT-GFCCVEGCSA-N 2 2 268.360 3.456 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000040621894 344964300 /nfs/dbraw/zinc/96/43/00/344964300.db2.gz VYKNYEARQNSJGG-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000040621894 344964301 /nfs/dbraw/zinc/96/43/01/344964301.db2.gz VYKNYEARQNSJGG-LBPRGKRZSA-N 2 2 284.806 3.299 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037292721 344949565 /nfs/dbraw/zinc/94/95/65/344949565.db2.gz JUXKBJODIHYYCZ-BHYGNILZSA-N 2 2 288.435 3.281 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037292721 344949569 /nfs/dbraw/zinc/94/95/69/344949569.db2.gz JUXKBJODIHYYCZ-BHYGNILZSA-N 2 2 288.435 3.281 20 0 CGADLP c1ccc(SCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063190495 345244032 /nfs/dbraw/zinc/24/40/32/345244032.db2.gz QWLBVIKFKJYXDJ-IRXDYDNUSA-N 2 2 290.476 3.385 20 0 CGADLP c1ccc(SCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063190495 345244033 /nfs/dbraw/zinc/24/40/33/345244033.db2.gz QWLBVIKFKJYXDJ-IRXDYDNUSA-N 2 2 290.476 3.385 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000067507160 345323953 /nfs/dbraw/zinc/32/39/53/345323953.db2.gz CSDKXLPPQZLFPG-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C1 ZINC000067507160 345323958 /nfs/dbraw/zinc/32/39/58/345323958.db2.gz CSDKXLPPQZLFPG-CYBMUJFWSA-N 2 2 295.496 3.261 20 0 CGADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974119 345693484 /nfs/dbraw/zinc/69/34/84/345693484.db2.gz KUZRDKYHEKGDSF-STQMWFEESA-N 2 2 273.355 3.489 20 0 CGADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974119 345693485 /nfs/dbraw/zinc/69/34/85/345693485.db2.gz KUZRDKYHEKGDSF-STQMWFEESA-N 2 2 273.355 3.489 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644815 219159618 /nfs/dbraw/zinc/15/96/18/219159618.db2.gz SUYJUTGUJFIHPC-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644815 219159621 /nfs/dbraw/zinc/15/96/21/219159621.db2.gz SUYJUTGUJFIHPC-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644815 219159624 /nfs/dbraw/zinc/15/96/24/219159624.db2.gz SUYJUTGUJFIHPC-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644815 219159626 /nfs/dbraw/zinc/15/96/26/219159626.db2.gz SUYJUTGUJFIHPC-ZFWWWQNUSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3cccc(O)c3)n2c1 ZINC000156537235 232228630 /nfs/dbraw/zinc/22/86/30/232228630.db2.gz KWOLVYILWIGOHL-CYBMUJFWSA-N 2 2 281.359 3.199 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000083998711 345728393 /nfs/dbraw/zinc/72/83/93/345728393.db2.gz DITDXHBLDIOGLA-UHFFFAOYSA-N 2 2 293.480 3.375 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645006 219159530 /nfs/dbraw/zinc/15/95/30/219159530.db2.gz UJRBJWZDKGLZIP-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645006 219159533 /nfs/dbraw/zinc/15/95/33/219159533.db2.gz UJRBJWZDKGLZIP-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645006 219159536 /nfs/dbraw/zinc/15/95/36/219159536.db2.gz UJRBJWZDKGLZIP-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C[C@H]1C ZINC000351645006 219159538 /nfs/dbraw/zinc/15/95/38/219159538.db2.gz UJRBJWZDKGLZIP-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000091892602 345825644 /nfs/dbraw/zinc/82/56/44/345825644.db2.gz CXXIAALFOQESEV-ZSYWTGECSA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000091892602 345825647 /nfs/dbraw/zinc/82/56/47/345825647.db2.gz CXXIAALFOQESEV-ZSYWTGECSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000091892602 345825651 /nfs/dbraw/zinc/82/56/51/345825651.db2.gz CXXIAALFOQESEV-ZSYWTGECSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000091892602 345825655 /nfs/dbraw/zinc/82/56/55/345825655.db2.gz CXXIAALFOQESEV-ZSYWTGECSA-N 2 2 284.447 3.349 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866270 345890161 /nfs/dbraw/zinc/89/01/61/345890161.db2.gz GMKQENMLSRMDOU-ZDUSSCGKSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866270 345890164 /nfs/dbraw/zinc/89/01/64/345890164.db2.gz GMKQENMLSRMDOU-ZDUSSCGKSA-N 2 2 290.313 3.013 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865931 345890752 /nfs/dbraw/zinc/89/07/52/345890752.db2.gz JTTMVMAUEOAGOI-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865931 345890758 /nfs/dbraw/zinc/89/07/58/345890758.db2.gz JTTMVMAUEOAGOI-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000134782184 346084066 /nfs/dbraw/zinc/08/40/66/346084066.db2.gz JHGCDNMIBJPWBB-UHFFFAOYSA-N 2 2 293.798 3.115 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC000235701268 346336694 /nfs/dbraw/zinc/33/66/94/346336694.db2.gz KNJKOCOFHBRRSW-GDBMZVCRSA-N 2 2 261.413 3.245 20 0 CGADLP Oc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000236587624 346341178 /nfs/dbraw/zinc/34/11/78/346341178.db2.gz HAUIHSTXMYZCMW-QGZVFWFLSA-N 2 2 285.391 3.036 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H](C)C1CC[NH+](C)CC1 ZINC000396445342 346580356 /nfs/dbraw/zinc/58/03/56/346580356.db2.gz CZYPLZYEKRDRBJ-CYBMUJFWSA-N 2 2 299.418 3.386 20 0 CGADLP C[C@@]1([NH2+]Cc2cccc(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406006404 346603962 /nfs/dbraw/zinc/60/39/62/346603962.db2.gz PRPRSDYHNNKAJA-LJQANCHMSA-N 2 2 296.414 3.146 20 0 CGADLP C[C@@]1([NH2+]Cc2cccc(O)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406006404 346603966 /nfs/dbraw/zinc/60/39/66/346603966.db2.gz PRPRSDYHNNKAJA-LJQANCHMSA-N 2 2 296.414 3.146 20 0 CGADLP CCC[N@H+](C)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351849871 219225187 /nfs/dbraw/zinc/22/51/87/219225187.db2.gz RHIPEFBDYCBHES-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP CCC[N@@H+](C)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351849871 219225188 /nfs/dbraw/zinc/22/51/88/219225188.db2.gz RHIPEFBDYCBHES-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128798293 187390926 /nfs/dbraw/zinc/39/09/26/187390926.db2.gz GEUUKRDUWMKYQY-QGZVFWFLSA-N 2 2 298.434 3.353 20 0 CGADLP CSCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611182953 348426874 /nfs/dbraw/zinc/42/68/74/348426874.db2.gz FRUMSYUXWBGNHN-MRXNPFEDSA-N 2 2 292.492 3.382 20 0 CGADLP CSCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611182953 348426880 /nfs/dbraw/zinc/42/68/80/348426880.db2.gz FRUMSYUXWBGNHN-MRXNPFEDSA-N 2 2 292.492 3.382 20 0 CGADLP Cc1cccc2[nH+]cc(CNc3cc4c(c[nH+]3)CCC4)n21 ZINC000339558151 215243681 /nfs/dbraw/zinc/24/36/81/215243681.db2.gz XESSVKSFOUJRRO-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000271258447 191032718 /nfs/dbraw/zinc/03/27/18/191032718.db2.gz JCRHTJDCJWYQTM-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccccc2)CC1 ZINC000271258447 191032719 /nfs/dbraw/zinc/03/27/19/191032719.db2.gz JCRHTJDCJWYQTM-UHFFFAOYSA-N 2 2 284.403 3.376 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000625252787 350146986 /nfs/dbraw/zinc/14/69/86/350146986.db2.gz JYKJSDONZUDHIF-NSHDSACASA-N 2 2 291.782 3.148 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000625252787 350146987 /nfs/dbraw/zinc/14/69/87/350146987.db2.gz JYKJSDONZUDHIF-NSHDSACASA-N 2 2 291.782 3.148 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)o1 ZINC000628217425 350445298 /nfs/dbraw/zinc/44/52/98/350445298.db2.gz WMFGKYGNGHUZFP-CQSZACIVSA-N 2 2 299.418 3.298 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628277325 350474442 /nfs/dbraw/zinc/47/44/42/350474442.db2.gz NLVLYGZAJMKBGL-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628277325 350474445 /nfs/dbraw/zinc/47/44/45/350474445.db2.gz NLVLYGZAJMKBGL-UHFFFAOYSA-N 2 2 280.359 3.150 20 0 CGADLP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)[nH+]c1C ZINC000628283851 350477816 /nfs/dbraw/zinc/47/78/16/350477816.db2.gz OOHBKUSPCABSSX-MRXNPFEDSA-N 2 2 296.418 3.011 20 0 CGADLP Cc1[nH]c(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)[nH+]c1C ZINC000628283851 350477821 /nfs/dbraw/zinc/47/78/21/350477821.db2.gz OOHBKUSPCABSSX-MRXNPFEDSA-N 2 2 296.418 3.011 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCCS1 ZINC000628339204 350505513 /nfs/dbraw/zinc/50/55/13/350505513.db2.gz ICCGURGJVMINMV-HOCLYGCPSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCCS1 ZINC000628339204 350505516 /nfs/dbraw/zinc/50/55/16/350505516.db2.gz ICCGURGJVMINMV-HOCLYGCPSA-N 2 2 282.497 3.269 20 0 CGADLP Cc1ccc(CCC[NH2+][C@]2(CO)CCCC(C)(C)C2)c[nH+]1 ZINC000628429317 350537486 /nfs/dbraw/zinc/53/74/86/350537486.db2.gz LIJMIWSVUYQWQK-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537666 350705904 /nfs/dbraw/zinc/70/59/04/350705904.db2.gz LSPQSMQCQLUCQF-NQBHXWOUSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C[NH2+]1 ZINC000629540204 350706702 /nfs/dbraw/zinc/70/67/02/350706702.db2.gz RGPARSITUXHHMD-UKPHBRMFSA-N 2 2 258.409 3.184 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540230 350706848 /nfs/dbraw/zinc/70/68/48/350706848.db2.gz UXXLJPMCTUSVPX-NTZNESFSSA-N 2 2 282.815 3.140 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542555 350707761 /nfs/dbraw/zinc/70/77/61/350707761.db2.gz FSISBAGMPOXOMP-XNJGSVPQSA-N 2 2 288.435 3.148 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629397300 350688386 /nfs/dbraw/zinc/68/83/86/350688386.db2.gz ZARPLLBAEAYHQD-ZFWWWQNUSA-N 2 2 284.403 3.079 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629521116 350700610 /nfs/dbraw/zinc/70/06/10/350700610.db2.gz PRMUHYUGEXPWES-DZGCQCFKSA-N 2 2 292.423 3.237 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000271405108 191120560 /nfs/dbraw/zinc/12/05/60/191120560.db2.gz MFNOOEXOSRTCDU-ZBFHGGJFSA-N 2 2 287.407 3.330 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629660491 350732758 /nfs/dbraw/zinc/73/27/58/350732758.db2.gz UZJMEESHPBJPDC-OCCSQVGLSA-N 2 2 264.438 3.029 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000631834956 351149740 /nfs/dbraw/zinc/14/97/40/351149740.db2.gz IXITYQANIFYKNB-CQSZACIVSA-N 2 2 268.351 3.328 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000631834956 351149743 /nfs/dbraw/zinc/14/97/43/351149743.db2.gz IXITYQANIFYKNB-CQSZACIVSA-N 2 2 268.351 3.328 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890851 351153070 /nfs/dbraw/zinc/15/30/70/351153070.db2.gz SWVVUQVUUSCRGQ-RISCZKNCSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890851 351153077 /nfs/dbraw/zinc/15/30/77/351153077.db2.gz SWVVUQVUUSCRGQ-RISCZKNCSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccon2)c(C)c1 ZINC000634972630 351613384 /nfs/dbraw/zinc/61/33/84/351613384.db2.gz COKOLSNBLZGYPV-KRWDZBQOSA-N 2 2 296.374 3.019 20 0 CGADLP Clc1ccccc1C[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000352256993 219383536 /nfs/dbraw/zinc/38/35/36/219383536.db2.gz NVVUNKUSNUWQNC-UHFFFAOYSA-N 2 2 289.810 3.449 20 0 CGADLP Clc1ccccc1C[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000352256993 219383537 /nfs/dbraw/zinc/38/35/37/219383537.db2.gz NVVUNKUSNUWQNC-UHFFFAOYSA-N 2 2 289.810 3.449 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000122283142 187024583 /nfs/dbraw/zinc/02/45/83/187024583.db2.gz HCBBLCLURITFSC-SMDDNHRTSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000122283142 187024584 /nfs/dbraw/zinc/02/45/84/187024584.db2.gz HCBBLCLURITFSC-SMDDNHRTSA-N 2 2 264.800 3.055 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cnccc1C ZINC000271545723 191204266 /nfs/dbraw/zinc/20/42/66/191204266.db2.gz ZOGWVVUGJMJKNJ-CQSZACIVSA-N 2 2 294.402 3.399 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367293389 234202449 /nfs/dbraw/zinc/20/24/49/234202449.db2.gz BGKYAELVAJSNSR-GOSISDBHSA-N 2 2 296.414 3.306 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC000367854422 234256411 /nfs/dbraw/zinc/25/64/11/234256411.db2.gz AWNZTDBKIQBTJF-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCCC1 ZINC000367854422 234256415 /nfs/dbraw/zinc/25/64/15/234256415.db2.gz AWNZTDBKIQBTJF-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP CCCC[C@@H](COC)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156197960 188248309 /nfs/dbraw/zinc/24/83/09/188248309.db2.gz UMPMBKVGKGQDIF-AWEZNQCLSA-N 2 2 289.423 3.290 20 0 CGADLP CCn1cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000156193477 188248637 /nfs/dbraw/zinc/24/86/37/188248637.db2.gz RODGBDSRRAFPOD-CYBMUJFWSA-N 2 2 297.406 3.063 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000156433241 188262096 /nfs/dbraw/zinc/26/20/96/188262096.db2.gz FXWKAEXSBARCED-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000156433241 188262097 /nfs/dbraw/zinc/26/20/97/188262097.db2.gz FXWKAEXSBARCED-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccncc1 ZINC000156505031 188266058 /nfs/dbraw/zinc/26/60/58/188266058.db2.gz VUHCLRIAYWWIEW-ZDUSSCGKSA-N 2 2 280.375 3.241 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccco1)CCC2 ZINC000370681950 234452906 /nfs/dbraw/zinc/45/29/06/234452906.db2.gz LHZVLYZQUQKSNT-ZFWWWQNUSA-N 2 2 287.407 3.273 20 0 CGADLP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000293191813 198555256 /nfs/dbraw/zinc/55/52/56/198555256.db2.gz WLPIJEUCDBLFEM-ZDUSSCGKSA-N 2 2 287.382 3.070 20 0 CGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000161664364 188539445 /nfs/dbraw/zinc/53/94/45/188539445.db2.gz IVXAOSPXBNWOSF-OAHLLOKOSA-N 2 2 299.418 3.192 20 0 CGADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000161664364 188539448 /nfs/dbraw/zinc/53/94/48/188539448.db2.gz IVXAOSPXBNWOSF-OAHLLOKOSA-N 2 2 299.418 3.192 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414215015 235366345 /nfs/dbraw/zinc/36/63/45/235366345.db2.gz WSAJGQJIMCHYTO-KBXCAEBGSA-N 2 2 268.404 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c2ccccc12 ZINC000414215015 235366346 /nfs/dbraw/zinc/36/63/46/235366346.db2.gz WSAJGQJIMCHYTO-KBXCAEBGSA-N 2 2 268.404 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000123700861 138369032 /nfs/dbraw/zinc/36/90/32/138369032.db2.gz RFUBDRKJQBMXOZ-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000123700861 138369034 /nfs/dbraw/zinc/36/90/34/138369034.db2.gz RFUBDRKJQBMXOZ-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700861 138369035 /nfs/dbraw/zinc/36/90/35/138369035.db2.gz RFUBDRKJQBMXOZ-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700861 138369036 /nfs/dbraw/zinc/36/90/36/138369036.db2.gz RFUBDRKJQBMXOZ-FZMZJTMJSA-N 2 2 284.806 3.394 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1Cl ZINC000123661699 138369227 /nfs/dbraw/zinc/36/92/27/138369227.db2.gz FDUTTZMBUNUUPW-AWEZNQCLSA-N 2 2 254.805 3.145 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1Cl ZINC000123661699 138369228 /nfs/dbraw/zinc/36/92/28/138369228.db2.gz FDUTTZMBUNUUPW-AWEZNQCLSA-N 2 2 254.805 3.145 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000125346703 138381748 /nfs/dbraw/zinc/38/17/48/138381748.db2.gz SVHCJPJWOVWZEZ-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)CC[N@H+]1C ZINC000125346703 138381749 /nfs/dbraw/zinc/38/17/49/138381749.db2.gz SVHCJPJWOVWZEZ-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000479269646 535358320 /nfs/dbraw/zinc/35/83/20/535358320.db2.gz MADJVNWUASBGKM-FUHWJXTLSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000479269646 535358322 /nfs/dbraw/zinc/35/83/22/535358322.db2.gz MADJVNWUASBGKM-FUHWJXTLSA-N 2 2 272.436 3.453 20 0 CGADLP Fc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423234876 236004119 /nfs/dbraw/zinc/00/41/19/236004119.db2.gz MJWRIYQRAOXYFL-RBUKOAKNSA-N 2 2 298.405 3.451 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000423232635 236004337 /nfs/dbraw/zinc/00/43/37/236004337.db2.gz CFIYXGSOMVUIQT-ZWKOTPCHSA-N 2 2 284.378 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423245800 236007819 /nfs/dbraw/zinc/00/78/19/236007819.db2.gz YRZOHIOOVFPOTO-RDTXWAMCSA-N 2 2 281.403 3.151 20 0 CGADLP [NH3+][C@@H](C[NH2+]C(C1CCC1)C1CCC1)c1ccccc1 ZINC000423250733 236009188 /nfs/dbraw/zinc/00/91/88/236009188.db2.gz QZCWOTLOSNRKSM-INIZCTEOSA-N 2 2 258.409 3.245 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)c1ccccc1 ZINC000423254182 236010061 /nfs/dbraw/zinc/01/00/61/236010061.db2.gz XLDHCWNOQUGMSP-MSOLQXFVSA-N 2 2 281.403 3.212 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])c2ccccc2)cc1 ZINC000423287569 236024798 /nfs/dbraw/zinc/02/47/98/236024798.db2.gz MZUNOISYZUWYDI-QGZVFWFLSA-N 2 2 268.404 3.411 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423439855 236071574 /nfs/dbraw/zinc/07/15/74/236071574.db2.gz VNABUZVNYKVPJK-FGTMMUONSA-N 2 2 270.420 3.042 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526737 236093729 /nfs/dbraw/zinc/09/37/29/236093729.db2.gz LMOBQGBCASVCMC-ZYSHUDEJSA-N 2 2 280.415 3.401 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423556759 236098497 /nfs/dbraw/zinc/09/84/97/236098497.db2.gz MPZOFIKKDCBOGC-FZMZJTMJSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1cc(NC(=O)CC[C@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423913457 236111714 /nfs/dbraw/zinc/11/17/14/236111714.db2.gz UYZXHLLUIIIRAA-ZDUSSCGKSA-N 2 2 299.374 3.248 20 0 CGADLP c1cn(CC[NH2+][C@H](C2CCC2)C2CCCCC2)c[nH+]1 ZINC000424266602 236139460 /nfs/dbraw/zinc/13/94/60/236139460.db2.gz XFQFMHJWAUCXQI-INIZCTEOSA-N 2 2 261.413 3.222 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000427858658 236350259 /nfs/dbraw/zinc/35/02/59/236350259.db2.gz UFOSCYSOYKXSFA-KSZLIROESA-N 2 2 295.430 3.199 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319877750 138590434 /nfs/dbraw/zinc/59/04/34/138590434.db2.gz HZDOFCDDGINSDX-ZOBUZTSGSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000428239151 236382976 /nfs/dbraw/zinc/38/29/76/236382976.db2.gz PPCNKRJEAHXVNN-TZMCWYRMSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000428239151 236382979 /nfs/dbraw/zinc/38/29/79/236382979.db2.gz PPCNKRJEAHXVNN-TZMCWYRMSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000428239151 236382982 /nfs/dbraw/zinc/38/29/82/236382982.db2.gz PPCNKRJEAHXVNN-TZMCWYRMSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000428239151 236382984 /nfs/dbraw/zinc/38/29/84/236382984.db2.gz PPCNKRJEAHXVNN-TZMCWYRMSA-N 2 2 279.428 3.021 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)C1CCCC1 ZINC000423502416 283453727 /nfs/dbraw/zinc/45/37/27/283453727.db2.gz LWNWZBYNQQOWKM-HUUCEWRRSA-N 2 2 280.362 3.059 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437103261 237249470 /nfs/dbraw/zinc/24/94/70/237249470.db2.gz JEAGWHDZFOSICD-CQSZACIVSA-N 2 2 292.492 3.413 20 0 CGADLP CC[C@H](C)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297285832 200136066 /nfs/dbraw/zinc/13/60/66/200136066.db2.gz ALGPUKRMRZNYJH-HNNXBMFYSA-N 2 2 271.408 3.263 20 0 CGADLP CC[C@H](C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297285832 200136067 /nfs/dbraw/zinc/13/60/67/200136067.db2.gz ALGPUKRMRZNYJH-HNNXBMFYSA-N 2 2 271.408 3.263 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297442367 200192018 /nfs/dbraw/zinc/19/20/18/200192018.db2.gz OHRWGRLNWFWYQF-UHFFFAOYSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@@H+]1C ZINC000297444223 200192342 /nfs/dbraw/zinc/19/23/42/200192342.db2.gz WJUREJVFIFQWTL-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@H+]1C ZINC000297444223 200192343 /nfs/dbraw/zinc/19/23/43/200192343.db2.gz WJUREJVFIFQWTL-LRDDRELGSA-N 2 2 276.399 3.275 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000297638075 200248175 /nfs/dbraw/zinc/24/81/75/200248175.db2.gz IEJOHRUXVBUWFH-QGZVFWFLSA-N 2 2 271.408 3.436 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000297638075 200248176 /nfs/dbraw/zinc/24/81/76/200248176.db2.gz IEJOHRUXVBUWFH-QGZVFWFLSA-N 2 2 271.408 3.436 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+](C)CCc1c[nH+]cn1C ZINC000297792912 200281988 /nfs/dbraw/zinc/28/19/88/200281988.db2.gz NGVBPALRVNEKQP-UHFFFAOYSA-N 2 2 297.402 3.403 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000297792912 200281990 /nfs/dbraw/zinc/28/19/90/200281990.db2.gz NGVBPALRVNEKQP-UHFFFAOYSA-N 2 2 297.402 3.403 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000297865935 200295814 /nfs/dbraw/zinc/29/58/14/200295814.db2.gz PLXLUURVKKQCEC-QGZVFWFLSA-N 2 2 285.435 3.306 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000297865935 200295815 /nfs/dbraw/zinc/29/58/15/200295815.db2.gz PLXLUURVKKQCEC-QGZVFWFLSA-N 2 2 285.435 3.306 20 0 CGADLP Clc1cccc2c(NCC[NH+]3CCCC3)cc[nH+]c12 ZINC000341819069 216116237 /nfs/dbraw/zinc/11/62/37/216116237.db2.gz FHBOVNWBURRUFD-UHFFFAOYSA-N 2 2 275.783 3.396 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177118939 189030276 /nfs/dbraw/zinc/03/02/76/189030276.db2.gz VKADLYZXASEXAS-ZIAGYGMSSA-N 2 2 270.380 3.030 20 0 CGADLP CC[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177352552 189044877 /nfs/dbraw/zinc/04/48/77/189044877.db2.gz SVEFYDLEQYBAGQ-KRWDZBQOSA-N 2 2 284.407 3.279 20 0 CGADLP CC[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177352552 189044878 /nfs/dbraw/zinc/04/48/78/189044878.db2.gz SVEFYDLEQYBAGQ-KRWDZBQOSA-N 2 2 284.407 3.279 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970022 189082094 /nfs/dbraw/zinc/08/20/94/189082094.db2.gz GOPLDIVSDOLNHU-CKEIUWERSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970022 189082095 /nfs/dbraw/zinc/08/20/95/189082095.db2.gz GOPLDIVSDOLNHU-CKEIUWERSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)nc1 ZINC000179137101 189172623 /nfs/dbraw/zinc/17/26/23/189172623.db2.gz XBRKCQXYDVWING-GFCCVEGCSA-N 2 2 290.798 3.283 20 0 CGADLP Cc1cc(C)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181099179 189288134 /nfs/dbraw/zinc/28/81/34/189288134.db2.gz TTWLHUVJFWESMB-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1cc(C)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181099179 189288135 /nfs/dbraw/zinc/28/81/35/189288135.db2.gz TTWLHUVJFWESMB-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000181164273 189289527 /nfs/dbraw/zinc/28/95/27/189289527.db2.gz PWQNCSUCPYUUNF-GAGTYLRSSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000181164273 189289528 /nfs/dbraw/zinc/28/95/28/189289528.db2.gz PWQNCSUCPYUUNF-GAGTYLRSSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000181164273 189289529 /nfs/dbraw/zinc/28/95/29/189289529.db2.gz PWQNCSUCPYUUNF-GAGTYLRSSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000181164273 189289530 /nfs/dbraw/zinc/28/95/30/189289530.db2.gz PWQNCSUCPYUUNF-GAGTYLRSSA-N 2 2 270.420 3.116 20 0 CGADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000182075070 189313592 /nfs/dbraw/zinc/31/35/92/189313592.db2.gz GMSGSPAKVINRCB-MRXNPFEDSA-N 2 2 293.414 3.345 20 0 CGADLP CC(C)c1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301829335 201222668 /nfs/dbraw/zinc/22/26/68/201222668.db2.gz QZCSLPHJWDAVEY-HNNXBMFYSA-N 2 2 290.455 3.476 20 0 CGADLP CC(C)c1cc(N[C@@H](C)CC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301848234 201229909 /nfs/dbraw/zinc/22/99/09/201229909.db2.gz CIZYIUILZLDXAU-ZDUSSCGKSA-N 2 2 278.444 3.476 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449059937 239150237 /nfs/dbraw/zinc/15/02/37/239150237.db2.gz RHAFWUSYOXOFKX-INIZCTEOSA-N 2 2 297.402 3.064 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000302071219 201331701 /nfs/dbraw/zinc/33/17/01/201331701.db2.gz UWDUTMYWSWTGNV-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000449250780 239269968 /nfs/dbraw/zinc/26/99/68/239269968.db2.gz PUVOXMAUEMGJLT-RVKKMQEKSA-N 2 2 286.419 3.492 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000449331107 239319195 /nfs/dbraw/zinc/31/91/95/239319195.db2.gz XMEUJJWPSZUCRZ-JTDSTZFVSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000449331107 239319203 /nfs/dbraw/zinc/31/92/03/239319203.db2.gz XMEUJJWPSZUCRZ-JTDSTZFVSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449352910 239341339 /nfs/dbraw/zinc/34/13/39/239341339.db2.gz ZDIPICDGALTMBZ-NWDGAFQWSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000449381417 239368927 /nfs/dbraw/zinc/36/89/27/239368927.db2.gz YSUKJQZDSLAFMB-DJIMGWMZSA-N 2 2 284.447 3.321 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000449381417 239368929 /nfs/dbraw/zinc/36/89/29/239368929.db2.gz YSUKJQZDSLAFMB-DJIMGWMZSA-N 2 2 284.447 3.321 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000342615218 216432892 /nfs/dbraw/zinc/43/28/92/216432892.db2.gz LNQBYUZFADTSMO-MRXNPFEDSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1cccn2c(C[NH2+]CCC3=CCCC3)c[nH+]c12 ZINC000120142299 370743069 /nfs/dbraw/zinc/74/30/69/370743069.db2.gz ZADJDMUQRQNGQN-UHFFFAOYSA-N 2 2 255.365 3.233 20 0 CGADLP Cc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000450714965 240045544 /nfs/dbraw/zinc/04/55/44/240045544.db2.gz MMSCYXZPMCVPCL-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP CS[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451322897 240273646 /nfs/dbraw/zinc/27/36/46/240273646.db2.gz GXYHYTGFGOMJPQ-INIZCTEOSA-N 2 2 287.432 3.118 20 0 CGADLP CS[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451322897 240273648 /nfs/dbraw/zinc/27/36/48/240273648.db2.gz GXYHYTGFGOMJPQ-INIZCTEOSA-N 2 2 287.432 3.118 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000120679808 370791361 /nfs/dbraw/zinc/79/13/61/370791361.db2.gz RYVKPYPKGAIHJW-INIZCTEOSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000120679808 370791363 /nfs/dbraw/zinc/79/13/63/370791363.db2.gz RYVKPYPKGAIHJW-INIZCTEOSA-N 2 2 294.389 3.415 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc2n1 ZINC000275553789 193073532 /nfs/dbraw/zinc/07/35/32/193073532.db2.gz CQXGRWNRWBXRQM-ORAYPTAESA-N 2 2 295.430 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)ccc2n1 ZINC000275553789 193073534 /nfs/dbraw/zinc/07/35/34/193073534.db2.gz CQXGRWNRWBXRQM-ORAYPTAESA-N 2 2 295.430 3.116 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000459301776 242062387 /nfs/dbraw/zinc/06/23/87/242062387.db2.gz LFZUYJALTKEKDT-UHFFFAOYSA-N 2 2 263.429 3.255 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000459301776 242062390 /nfs/dbraw/zinc/06/23/90/242062390.db2.gz LFZUYJALTKEKDT-UHFFFAOYSA-N 2 2 263.429 3.255 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1C ZINC000459308086 242063440 /nfs/dbraw/zinc/06/34/40/242063440.db2.gz RWQRRWONTWJKQW-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1C ZINC000459308086 242063443 /nfs/dbraw/zinc/06/34/43/242063443.db2.gz RWQRRWONTWJKQW-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc(C[N@@H+](CCc2c[nH+]cn2C)CC(C)C)c1 ZINC000459326561 242073091 /nfs/dbraw/zinc/07/30/91/242073091.db2.gz NFPVPMGIPAGLQZ-UHFFFAOYSA-N 2 2 285.435 3.429 20 0 CGADLP Cc1cccc(C[N@H+](CCc2c[nH+]cn2C)CC(C)C)c1 ZINC000459326561 242073097 /nfs/dbraw/zinc/07/30/97/242073097.db2.gz NFPVPMGIPAGLQZ-UHFFFAOYSA-N 2 2 285.435 3.429 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000459484205 242122661 /nfs/dbraw/zinc/12/26/61/242122661.db2.gz GSIZIMUZQKSRAS-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000459484205 242122663 /nfs/dbraw/zinc/12/26/63/242122663.db2.gz GSIZIMUZQKSRAS-CQSZACIVSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553514 242128487 /nfs/dbraw/zinc/12/84/87/242128487.db2.gz YKDOKHCARRRFOR-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000459553514 242128492 /nfs/dbraw/zinc/12/84/92/242128492.db2.gz YKDOKHCARRRFOR-AWEZNQCLSA-N 2 2 289.810 3.106 20 0 CGADLP CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459678051 242177825 /nfs/dbraw/zinc/17/78/25/242177825.db2.gz QLHJRZMMQNCSIO-SFHVURJKSA-N 2 2 299.418 3.263 20 0 CGADLP CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459678051 242177829 /nfs/dbraw/zinc/17/78/29/242177829.db2.gz QLHJRZMMQNCSIO-SFHVURJKSA-N 2 2 299.418 3.263 20 0 CGADLP CCCc1csc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000494368390 535447868 /nfs/dbraw/zinc/44/78/68/535447868.db2.gz MDRRVQHNXPVOLY-UHFFFAOYSA-N 2 2 293.480 3.060 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000482092985 243216226 /nfs/dbraw/zinc/21/62/26/243216226.db2.gz HZPBYTLNFHXGID-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C2CC2)cc1 ZINC000482092985 243216228 /nfs/dbraw/zinc/21/62/28/243216228.db2.gz HZPBYTLNFHXGID-GOSISDBHSA-N 2 2 274.452 3.246 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000482570592 243234814 /nfs/dbraw/zinc/23/48/14/243234814.db2.gz YYBDOECWBOXPIX-KBXCAEBGSA-N 2 2 292.442 3.465 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000482570592 243234825 /nfs/dbraw/zinc/23/48/25/243234825.db2.gz YYBDOECWBOXPIX-KBXCAEBGSA-N 2 2 292.442 3.465 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)C[NH+]1CCOCC1 ZINC000484129615 243307707 /nfs/dbraw/zinc/30/77/07/243307707.db2.gz KGZPFONBTNBKNH-IKGGRYGDSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1CC1(C)C ZINC000486959313 243385561 /nfs/dbraw/zinc/38/55/61/243385561.db2.gz VNIWNWDGSXGJFU-ZIAGYGMSSA-N 2 2 261.413 3.298 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000218952555 376193518 /nfs/dbraw/zinc/19/35/18/376193518.db2.gz MIHADKSNWUVPDV-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000218952555 376193521 /nfs/dbraw/zinc/19/35/21/376193521.db2.gz MIHADKSNWUVPDV-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP C[C@H]([NH2+]C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020086015 368797661 /nfs/dbraw/zinc/79/76/61/368797661.db2.gz ZPTUYNCTDFXCOX-ZDUSSCGKSA-N 2 2 255.365 3.466 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000036914491 369038073 /nfs/dbraw/zinc/03/80/73/369038073.db2.gz DMZIJMBLUCRJPD-QWHCGFSZSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000036914491 369038080 /nfs/dbraw/zinc/03/80/80/369038080.db2.gz DMZIJMBLUCRJPD-QWHCGFSZSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000034992555 368986995 /nfs/dbraw/zinc/98/69/95/368986995.db2.gz CRCBMZBHADMODL-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157314 369072162 /nfs/dbraw/zinc/07/21/62/369072162.db2.gz UEKXNDQKDXRVTD-KGLIPLIRSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000037157435 369072572 /nfs/dbraw/zinc/07/25/72/369072572.db2.gz JFTFEIRRCXBRGW-NWDGAFQWSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352225 296132993 /nfs/dbraw/zinc/13/29/93/296132993.db2.gz NUPASZFFPZPQBV-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000173352225 296132994 /nfs/dbraw/zinc/13/29/94/296132994.db2.gz NUPASZFFPZPQBV-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cs1 ZINC000037860318 369120797 /nfs/dbraw/zinc/12/07/97/369120797.db2.gz PIOVJWGWFLZXFN-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cs1 ZINC000037860318 369120804 /nfs/dbraw/zinc/12/08/04/369120804.db2.gz PIOVJWGWFLZXFN-UHFFFAOYSA-N 2 2 281.469 3.196 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000040591698 369160613 /nfs/dbraw/zinc/16/06/13/369160613.db2.gz OHIQYUGQUHVWBF-VXGBXAGGSA-N 2 2 284.806 3.472 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000040591698 369160619 /nfs/dbraw/zinc/16/06/19/369160619.db2.gz OHIQYUGQUHVWBF-VXGBXAGGSA-N 2 2 284.806 3.472 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000040771614 369162844 /nfs/dbraw/zinc/16/28/44/369162844.db2.gz ZCQJQUJBFMMFSZ-SFHVURJKSA-N 2 2 272.436 3.386 20 0 CGADLP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686022 369267464 /nfs/dbraw/zinc/26/74/64/369267464.db2.gz WBAHCJCSAYUMML-MOKVOYLWSA-N 2 2 290.838 3.412 20 0 CGADLP Clc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686022 369267474 /nfs/dbraw/zinc/26/74/74/369267474.db2.gz WBAHCJCSAYUMML-MOKVOYLWSA-N 2 2 290.838 3.412 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494637951 244307141 /nfs/dbraw/zinc/30/71/41/244307141.db2.gz RGIGMFXQIYZRTM-UHFFFAOYSA-N 2 2 296.414 3.270 20 0 CGADLP C[NH+](C)CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000045663151 369283909 /nfs/dbraw/zinc/28/39/09/369283909.db2.gz RPWIBAJNZFPOQZ-AWEZNQCLSA-N 2 2 264.438 3.155 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083847 244354269 /nfs/dbraw/zinc/35/42/69/244354269.db2.gz FAQOYEBCMQCYMC-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083847 244354274 /nfs/dbraw/zinc/35/42/74/244354274.db2.gz FAQOYEBCMQCYMC-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083847 244354280 /nfs/dbraw/zinc/35/42/80/244354280.db2.gz FAQOYEBCMQCYMC-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3)[C@H]2C1 ZINC000495083847 244354287 /nfs/dbraw/zinc/35/42/87/244354287.db2.gz FAQOYEBCMQCYMC-HKUYNNGSSA-N 2 2 280.415 3.366 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495095814 244357585 /nfs/dbraw/zinc/35/75/85/244357585.db2.gz YQACBCQSEGIWKM-FSZRXZPDSA-N 2 2 287.451 3.241 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032132 369476148 /nfs/dbraw/zinc/47/61/48/369476148.db2.gz CHEOQTIBGOLCAO-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC000053032132 369476154 /nfs/dbraw/zinc/47/61/54/369476154.db2.gz CHEOQTIBGOLCAO-NWDGAFQWSA-N 2 2 297.240 3.051 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000054465533 369503686 /nfs/dbraw/zinc/50/36/86/369503686.db2.gz SYAXAQZHYQZVKD-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1csc2ccccc12 ZINC000054465533 369503691 /nfs/dbraw/zinc/50/36/91/369503691.db2.gz SYAXAQZHYQZVKD-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869883 296149282 /nfs/dbraw/zinc/14/92/82/296149282.db2.gz AWYYRLYVEGXVDF-RVKKMQEKSA-N 2 2 287.451 3.078 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422869877 296151065 /nfs/dbraw/zinc/15/10/65/296151065.db2.gz AWYYRLYVEGXVDF-DAYGRLMNSA-N 2 2 287.451 3.078 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563626 370140139 /nfs/dbraw/zinc/14/01/39/370140139.db2.gz RTIWMQGAOQNNQC-KRWDZBQOSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563626 370140143 /nfs/dbraw/zinc/14/01/43/370140143.db2.gz RTIWMQGAOQNNQC-KRWDZBQOSA-N 2 2 294.389 3.415 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000093741912 370155204 /nfs/dbraw/zinc/15/52/04/370155204.db2.gz CJGIFQOWEUWAAG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000093741912 370155207 /nfs/dbraw/zinc/15/52/07/370155207.db2.gz CJGIFQOWEUWAAG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093741912 370155210 /nfs/dbraw/zinc/15/52/10/370155210.db2.gz CJGIFQOWEUWAAG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093741912 370155215 /nfs/dbraw/zinc/15/52/15/370155215.db2.gz CJGIFQOWEUWAAG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770167 370157274 /nfs/dbraw/zinc/15/72/74/370157274.db2.gz RNLFYMLCMSRPSF-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770167 370157283 /nfs/dbraw/zinc/15/72/83/370157283.db2.gz RNLFYMLCMSRPSF-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770167 370157289 /nfs/dbraw/zinc/15/72/89/370157289.db2.gz RNLFYMLCMSRPSF-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770167 370157295 /nfs/dbraw/zinc/15/72/95/370157295.db2.gz RNLFYMLCMSRPSF-ZDUSSCGKSA-N 2 2 284.806 3.253 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000112339074 370420718 /nfs/dbraw/zinc/42/07/18/370420718.db2.gz HOGKWFSBKHIFDS-LLVKDONJSA-N 2 2 255.321 3.017 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423284557 296159200 /nfs/dbraw/zinc/15/92/00/296159200.db2.gz WWSCKMCYUKKVKA-PRHODGIISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(F)c1)C1C[NH2+]C1 ZINC000422873001 296160242 /nfs/dbraw/zinc/16/02/42/296160242.db2.gz JLSOQZOOCRLMDJ-FZKQIMNGSA-N 2 2 284.378 3.113 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2cccn2C)[NH+]2CCCC2)cc1 ZINC000118943775 370629660 /nfs/dbraw/zinc/62/96/60/370629660.db2.gz JBXCPAIZSNNADM-IBGZPJMESA-N 2 2 297.446 3.260 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+](C)C)cc1 ZINC000118998608 370634890 /nfs/dbraw/zinc/63/48/90/370634890.db2.gz BWMYDEHJEWILTG-QAPCUYQASA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161776 371015428 /nfs/dbraw/zinc/01/54/28/371015428.db2.gz AFRSEUPLKNTLIB-KWCYVHTRSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161776 371015433 /nfs/dbraw/zinc/01/54/33/371015433.db2.gz AFRSEUPLKNTLIB-KWCYVHTRSA-N 2 2 280.362 3.242 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130543577 371041332 /nfs/dbraw/zinc/04/13/32/371041332.db2.gz SYBSOHOGPHRWMG-GOEBONIOSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130543577 371041335 /nfs/dbraw/zinc/04/13/35/371041335.db2.gz SYBSOHOGPHRWMG-GOEBONIOSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131813548 371131977 /nfs/dbraw/zinc/13/19/77/371131977.db2.gz UDZAUUKCDHOSAY-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131813548 371131980 /nfs/dbraw/zinc/13/19/80/371131980.db2.gz UDZAUUKCDHOSAY-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219827 371159817 /nfs/dbraw/zinc/15/98/17/371159817.db2.gz CLTQUQQRHYCVBG-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219827 371159819 /nfs/dbraw/zinc/15/98/19/371159819.db2.gz CLTQUQQRHYCVBG-ONGXEEELSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccco1 ZINC000132268034 371161846 /nfs/dbraw/zinc/16/18/46/371161846.db2.gz MQSAXIKRMZGJIH-HNNXBMFYSA-N 2 2 295.386 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000135200313 371400166 /nfs/dbraw/zinc/40/01/66/371400166.db2.gz YTTOICSBZITFTH-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000135200313 371400168 /nfs/dbraw/zinc/40/01/68/371400168.db2.gz YTTOICSBZITFTH-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000135200334 371400284 /nfs/dbraw/zinc/40/02/84/371400284.db2.gz YTTOICSBZITFTH-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000135200334 371400287 /nfs/dbraw/zinc/40/02/87/371400287.db2.gz YTTOICSBZITFTH-NEPJUHHUSA-N 2 2 281.469 3.013 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136066170 371460010 /nfs/dbraw/zinc/46/00/10/371460010.db2.gz BJYQNOZVWDBFGL-UHFFFAOYSA-N 2 2 290.382 3.333 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2C)C1 ZINC000136213421 371467425 /nfs/dbraw/zinc/46/74/25/371467425.db2.gz DQIZZLWIQVKFHR-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2C)C1 ZINC000136213421 371467430 /nfs/dbraw/zinc/46/74/30/371467430.db2.gz DQIZZLWIQVKFHR-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C)C1 ZINC000136213421 371467436 /nfs/dbraw/zinc/46/74/36/371467436.db2.gz DQIZZLWIQVKFHR-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C)C1 ZINC000136213421 371467444 /nfs/dbraw/zinc/46/74/44/371467444.db2.gz DQIZZLWIQVKFHR-CQSZACIVSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150062544 371531130 /nfs/dbraw/zinc/53/11/30/371531130.db2.gz FWQDLWQLMAPWMQ-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150062544 371531134 /nfs/dbraw/zinc/53/11/34/371531134.db2.gz FWQDLWQLMAPWMQ-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000151112324 371570147 /nfs/dbraw/zinc/57/01/47/371570147.db2.gz JEQRGGNGXASFJV-OAHLLOKOSA-N 2 2 271.408 3.229 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000151134254 371574691 /nfs/dbraw/zinc/57/46/91/371574691.db2.gz WPUNUELGQBGFIB-KRWDZBQOSA-N 2 2 289.398 3.269 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000151342978 371593226 /nfs/dbraw/zinc/59/32/26/371593226.db2.gz AUOWOGXIWQLAIJ-QGZVFWFLSA-N 2 2 271.408 3.456 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c(C)s1 ZINC000020128898 541855739 /nfs/dbraw/zinc/85/57/39/541855739.db2.gz FFRMIOLCQUIVPK-GFCCVEGCSA-N 2 2 281.469 3.287 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000287391860 371649228 /nfs/dbraw/zinc/64/92/28/371649228.db2.gz QFGGFMJHHJASNY-WMLDXEAASA-N 2 2 290.476 3.135 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000287391860 371649235 /nfs/dbraw/zinc/64/92/35/371649235.db2.gz QFGGFMJHHJASNY-WMLDXEAASA-N 2 2 290.476 3.135 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)c(F)c1 ZINC000421826441 371649643 /nfs/dbraw/zinc/64/96/43/371649643.db2.gz SJVPCOHFIITXRM-DYVFJYSZSA-N 2 2 294.414 3.215 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)c(F)c1 ZINC000421826441 371649653 /nfs/dbraw/zinc/64/96/53/371649653.db2.gz SJVPCOHFIITXRM-DYVFJYSZSA-N 2 2 294.414 3.215 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353309724 220020284 /nfs/dbraw/zinc/02/02/84/220020284.db2.gz DPUXKWWKAYGPOW-CXAGYDPISA-N 2 2 299.418 3.292 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152825085 371727835 /nfs/dbraw/zinc/72/78/35/371727835.db2.gz KFQITHJQHJFJJC-OAHLLOKOSA-N 2 2 283.419 3.421 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCCF)[C@H]1c1ccccc1 ZINC000289338771 371754992 /nfs/dbraw/zinc/75/49/92/371754992.db2.gz FPCFLIQBCNCBII-HZPDHXFCSA-N 2 2 264.388 3.161 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCCCCF)[C@H]1c1ccccc1 ZINC000289338771 371755002 /nfs/dbraw/zinc/75/50/02/371755002.db2.gz FPCFLIQBCNCBII-HZPDHXFCSA-N 2 2 264.388 3.161 20 0 CGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000422765872 371792502 /nfs/dbraw/zinc/79/25/02/371792502.db2.gz PMYVTDQLTWBAIT-HZPDHXFCSA-N 2 2 286.444 3.292 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cl ZINC000422731892 371772938 /nfs/dbraw/zinc/77/29/38/371772938.db2.gz OFPLZMSLSYOSMY-GUYCJALGSA-N 2 2 288.822 3.388 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751719 371784564 /nfs/dbraw/zinc/78/45/64/371784564.db2.gz ABXXVUQIFNBNQS-KMUNFCNLSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422772082 371797622 /nfs/dbraw/zinc/79/76/22/371797622.db2.gz YDXMIBOLKNDTBZ-KGLIPLIRSA-N 2 2 286.341 3.326 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422805023 371820800 /nfs/dbraw/zinc/82/08/00/371820800.db2.gz LKJAEOGJFLMEJC-NQBHXWOUSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422871172 371847288 /nfs/dbraw/zinc/84/72/88/371847288.db2.gz CPPOTMPERYVMHM-ZIAGYGMSSA-N 2 2 298.377 3.346 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154521418 371853858 /nfs/dbraw/zinc/85/38/58/371853858.db2.gz JURBGAMGQSEGEF-NEPJUHHUSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154521418 371853861 /nfs/dbraw/zinc/85/38/61/371853861.db2.gz JURBGAMGQSEGEF-NEPJUHHUSA-N 2 2 286.872 3.406 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCCO2 ZINC000154581264 371857834 /nfs/dbraw/zinc/85/78/34/371857834.db2.gz WPHUNZCRVKDJLC-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCCO2 ZINC000154581264 371857841 /nfs/dbraw/zinc/85/78/41/371857841.db2.gz WPHUNZCRVKDJLC-WBVHZDCISA-N 2 2 288.435 3.201 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000154598126 371860855 /nfs/dbraw/zinc/86/08/55/371860855.db2.gz CRIQSVMZJGGJJR-BRWVUGGUSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000154598126 371860860 /nfs/dbraw/zinc/86/08/60/371860860.db2.gz CRIQSVMZJGGJJR-BRWVUGGUSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@H]1CCCC[NH2+]1 ZINC000422921688 371871897 /nfs/dbraw/zinc/87/18/97/371871897.db2.gz OTHYDXORFIXYDT-CZUORRHYSA-N 2 2 272.392 3.096 20 0 CGADLP C[C@@H](CCCC[NH3+])Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422921504 371872116 /nfs/dbraw/zinc/87/21/16/371872116.db2.gz QFGFWLBYSUVPIU-AWEZNQCLSA-N 2 2 276.428 3.001 20 0 CGADLP CCCOc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422971887 371897766 /nfs/dbraw/zinc/89/77/66/371897766.db2.gz KAQABGTUJSKZAJ-SJORKVTESA-N 2 2 297.402 3.105 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000155752058 371942985 /nfs/dbraw/zinc/94/29/85/371942985.db2.gz SORFOQVUOOLFBO-LLVKDONJSA-N 2 2 299.296 3.133 20 0 CGADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000422984483 371901898 /nfs/dbraw/zinc/90/18/98/371901898.db2.gz XYUUETYSNWQEJA-IUODEOHRSA-N 2 2 258.365 3.053 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422999650 371908363 /nfs/dbraw/zinc/90/83/63/371908363.db2.gz FOJVGWGNDPXZRD-IAGOWNOFSA-N 2 2 276.424 3.014 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423003214 371910507 /nfs/dbraw/zinc/91/05/07/371910507.db2.gz LBRNIOPDOFOQNW-FHWLQOOXSA-N 2 2 296.414 3.017 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142554 371915209 /nfs/dbraw/zinc/91/52/09/371915209.db2.gz CFFFHQMSDRESLF-RCBQFDQVSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142554 371915211 /nfs/dbraw/zinc/91/52/11/371915211.db2.gz CFFFHQMSDRESLF-RCBQFDQVSA-N 2 2 296.842 3.100 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccn2)c1 ZINC000423027274 371922205 /nfs/dbraw/zinc/92/22/05/371922205.db2.gz RHEAPDXCSXIJCS-FUHWJXTLSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423171037 372001480 /nfs/dbraw/zinc/00/14/80/372001480.db2.gz NGCICZQMYBIPSL-DMTCVQMQSA-N 2 2 282.790 3.065 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(CSC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423115493 371975497 /nfs/dbraw/zinc/97/54/97/371975497.db2.gz YAPIJFZLNWKMLX-CVEARBPZSA-N 2 2 278.465 3.170 20 0 CGADLP CCCc1ncc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423169584 371999592 /nfs/dbraw/zinc/99/95/92/371999592.db2.gz ZJNPXLOFNTZYRY-KGLIPLIRSA-N 2 2 279.428 3.028 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423069764 371945665 /nfs/dbraw/zinc/94/56/65/371945665.db2.gz MALVNNTXGYWMAG-RHSMWYFYSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073454 371947889 /nfs/dbraw/zinc/94/78/89/371947889.db2.gz RMZCLWLRDURNFT-JTNHKYCSSA-N 2 2 276.355 3.363 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423083417 371951913 /nfs/dbraw/zinc/95/19/13/371951913.db2.gz FZKARONXNMCIDY-LSDHHAIUSA-N 2 2 274.339 3.055 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423083410 371952347 /nfs/dbraw/zinc/95/23/47/371952347.db2.gz FZKARONXNMCIDY-CABCVRRESA-N 2 2 274.339 3.055 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc2cc1C ZINC000423189650 372016710 /nfs/dbraw/zinc/01/67/10/372016710.db2.gz MZZQHVMWDMFJFY-ZFWWWQNUSA-N 2 2 272.392 3.452 20 0 CGADLP Fc1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423197457 372020876 /nfs/dbraw/zinc/02/08/76/372020876.db2.gz ZNASQZUMTZXHJD-MOPGFXCFSA-N 2 2 298.405 3.451 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423196464 372021225 /nfs/dbraw/zinc/02/12/25/372021225.db2.gz VKLKXEQDXFJCTF-NXEZZACHSA-N 2 2 258.818 3.194 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+]C3)cs2)cs1 ZINC000423199484 372023253 /nfs/dbraw/zinc/02/32/53/372023253.db2.gz BQNFEIHOLCHLHS-BXKDBHETSA-N 2 2 293.461 3.193 20 0 CGADLP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423209196 372032589 /nfs/dbraw/zinc/03/25/89/372032589.db2.gz UWKVLERVGVUSQT-SMDDNHRTSA-N 2 2 272.417 3.230 20 0 CGADLP CCC[C@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000344163253 217082486 /nfs/dbraw/zinc/08/24/86/217082486.db2.gz HHSAOUCGJBXEKI-AWEZNQCLSA-N 2 2 270.461 3.044 20 0 CGADLP C[NH2+]CC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423248534 372042002 /nfs/dbraw/zinc/04/20/02/372042002.db2.gz QYNVKSAFXJFZKI-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423309327 372049780 /nfs/dbraw/zinc/04/97/80/372049780.db2.gz LABHQYJDLJYZEE-LBPRGKRZSA-N 2 2 252.427 3.059 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423359154 372055977 /nfs/dbraw/zinc/05/59/77/372055977.db2.gz CRGJAAGSMGKQCM-RYUDHWBXSA-N 2 2 289.448 3.425 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423368545 372056292 /nfs/dbraw/zinc/05/62/92/372056292.db2.gz NIFIJPRYUASPMV-NYUZSIGZSA-N 2 2 294.389 3.189 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423419229 372062695 /nfs/dbraw/zinc/06/26/95/372062695.db2.gz ILRNVWBDUOJXNL-RTBURBONSA-N 2 2 296.389 3.290 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985908 372097379 /nfs/dbraw/zinc/09/73/79/372097379.db2.gz VTXWIVXOJMDMKM-UKRRQHHQSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158985908 372097382 /nfs/dbraw/zinc/09/73/82/372097382.db2.gz VTXWIVXOJMDMKM-UKRRQHHQSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158985908 372097389 /nfs/dbraw/zinc/09/73/89/372097389.db2.gz VTXWIVXOJMDMKM-UKRRQHHQSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158985908 372097393 /nfs/dbraw/zinc/09/73/93/372097393.db2.gz VTXWIVXOJMDMKM-UKRRQHHQSA-N 2 2 293.480 3.183 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427869455 372177390 /nfs/dbraw/zinc/17/73/90/372177390.db2.gz SDOBUIXVSQRHSH-QZTJIDSGSA-N 2 2 295.430 3.117 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000040673021 541870115 /nfs/dbraw/zinc/87/01/15/541870115.db2.gz KWZNSTZVWGWMIY-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000040673021 541870121 /nfs/dbraw/zinc/87/01/21/541870121.db2.gz KWZNSTZVWGWMIY-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+](C)[C@@H]3C)ccc2c1 ZINC000344341074 217158733 /nfs/dbraw/zinc/15/87/33/217158733.db2.gz BOWKODYLXIKYGI-AUUYWEPGSA-N 2 2 298.430 3.421 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@@H]3C)ccc2c1 ZINC000344341074 217158734 /nfs/dbraw/zinc/15/87/34/217158734.db2.gz BOWKODYLXIKYGI-AUUYWEPGSA-N 2 2 298.430 3.421 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000163290000 372459363 /nfs/dbraw/zinc/45/93/63/372459363.db2.gz YAJHBHIYFZLXSM-ZFWWWQNUSA-N 2 2 296.480 3.126 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000163290000 372459369 /nfs/dbraw/zinc/45/93/69/372459369.db2.gz YAJHBHIYFZLXSM-ZFWWWQNUSA-N 2 2 296.480 3.126 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729697 372463923 /nfs/dbraw/zinc/46/39/23/372463923.db2.gz UTDGNAMCMHVFMR-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729697 372463927 /nfs/dbraw/zinc/46/39/27/372463927.db2.gz UTDGNAMCMHVFMR-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729697 372463935 /nfs/dbraw/zinc/46/39/35/372463935.db2.gz UTDGNAMCMHVFMR-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cs3)C2)C1 ZINC000293729697 372463939 /nfs/dbraw/zinc/46/39/39/372463939.db2.gz UTDGNAMCMHVFMR-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP CCC[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000293809803 372488951 /nfs/dbraw/zinc/48/89/51/372488951.db2.gz YYBYSYLTPPHBRX-WMLDXEAASA-N 2 2 287.407 3.338 20 0 CGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000163725474 372490271 /nfs/dbraw/zinc/49/02/71/372490271.db2.gz ZZAVBMHOGPMJAA-QGZVFWFLSA-N 2 2 296.418 3.186 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000166152079 372565515 /nfs/dbraw/zinc/56/55/15/372565515.db2.gz VUKMLJNFMJLOOD-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000294135709 372591867 /nfs/dbraw/zinc/59/18/67/372591867.db2.gz OAACUFGMZQHNCC-UHFFFAOYSA-N 2 2 282.815 3.008 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1cccnc1Cl)C[NH+]1CCCC1 ZINC000165290520 372547111 /nfs/dbraw/zinc/54/71/11/372547111.db2.gz NQAQNRKHFLHMCH-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000168579915 372615693 /nfs/dbraw/zinc/61/56/93/372615693.db2.gz WSRNBLQNPCQUCT-HIFPTAJRSA-N 2 2 266.816 3.126 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3cc[nH]c31)CCC2 ZINC000344524456 217219911 /nfs/dbraw/zinc/21/99/11/217219911.db2.gz ZCHMSVHLXLXAAH-INIZCTEOSA-N 2 2 294.402 3.340 20 0 CGADLP Cc1csc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000344528874 217221807 /nfs/dbraw/zinc/22/18/07/217221807.db2.gz BCJNLNFURMGAPQ-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]c[nH]3)oc21 ZINC000171127541 372717362 /nfs/dbraw/zinc/71/73/62/372717362.db2.gz MKTVYEKLNOZVCR-LLVKDONJSA-N 2 2 285.347 3.405 20 0 CGADLP Cc1ncsc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000344544624 217227734 /nfs/dbraw/zinc/22/77/34/217227734.db2.gz RHRVDGVXJDDZEH-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241214 372714324 /nfs/dbraw/zinc/71/43/24/372714324.db2.gz DZAONRDABDASAJ-GXTWGEPZSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241214 372714330 /nfs/dbraw/zinc/71/43/30/372714330.db2.gz DZAONRDABDASAJ-GXTWGEPZSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241214 372714334 /nfs/dbraw/zinc/71/43/34/372714334.db2.gz DZAONRDABDASAJ-GXTWGEPZSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000295241214 372714340 /nfs/dbraw/zinc/71/43/40/372714340.db2.gz DZAONRDABDASAJ-GXTWGEPZSA-N 2 2 296.842 3.208 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438188099 372907755 /nfs/dbraw/zinc/90/77/55/372907755.db2.gz QQOKTLQLMXPMSZ-CHWSQXEVSA-N 2 2 280.378 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438188099 372907764 /nfs/dbraw/zinc/90/77/64/372907764.db2.gz QQOKTLQLMXPMSZ-CHWSQXEVSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000295979854 372984459 /nfs/dbraw/zinc/98/44/59/372984459.db2.gz JGRHODRMSFNGJM-CYBMUJFWSA-N 2 2 293.361 3.287 20 0 CGADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000295979854 372984465 /nfs/dbraw/zinc/98/44/65/372984465.db2.gz JGRHODRMSFNGJM-CYBMUJFWSA-N 2 2 293.361 3.287 20 0 CGADLP Clc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000172577760 372989613 /nfs/dbraw/zinc/98/96/13/372989613.db2.gz NEJAFIJYWPYLFS-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000172577760 372989618 /nfs/dbraw/zinc/98/96/18/372989618.db2.gz NEJAFIJYWPYLFS-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(C)CC1 ZINC000353593291 220179672 /nfs/dbraw/zinc/17/96/72/220179672.db2.gz CQXUIOYASNKVPR-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccc2ccccc21 ZINC000297931163 373285609 /nfs/dbraw/zinc/28/56/09/373285609.db2.gz ULXYOLUYHHPBII-UHFFFAOYSA-N 2 2 279.387 3.248 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000297931163 373285613 /nfs/dbraw/zinc/28/56/13/373285613.db2.gz ULXYOLUYHHPBII-UHFFFAOYSA-N 2 2 279.387 3.248 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000446771615 373361157 /nfs/dbraw/zinc/36/11/57/373361157.db2.gz ZFTPGWVQMHPZGP-MRXNPFEDSA-N 2 2 258.409 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000446771615 373361165 /nfs/dbraw/zinc/36/11/65/373361165.db2.gz ZFTPGWVQMHPZGP-MRXNPFEDSA-N 2 2 258.409 3.032 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447813675 373496819 /nfs/dbraw/zinc/49/68/19/373496819.db2.gz UABJJHFVBLGBAW-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447813675 373496822 /nfs/dbraw/zinc/49/68/22/373496822.db2.gz UABJJHFVBLGBAW-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP CC(C)(C)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000447824891 373501414 /nfs/dbraw/zinc/50/14/14/373501414.db2.gz AZRCGEQDQOYTIS-QGZVFWFLSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000447824891 373501419 /nfs/dbraw/zinc/50/14/19/373501419.db2.gz AZRCGEQDQOYTIS-QGZVFWFLSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000447941487 373527081 /nfs/dbraw/zinc/52/70/81/373527081.db2.gz KMRJRODDESYUSH-GFCCVEGCSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000447941487 373527085 /nfs/dbraw/zinc/52/70/85/373527085.db2.gz KMRJRODDESYUSH-GFCCVEGCSA-N 2 2 293.480 3.015 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353632040 220207630 /nfs/dbraw/zinc/20/76/30/220207630.db2.gz RHITYLQHZRWFDJ-OLZOCXBDSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353632040 220207635 /nfs/dbraw/zinc/20/76/35/220207635.db2.gz RHITYLQHZRWFDJ-OLZOCXBDSA-N 2 2 285.391 3.017 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000300308110 373624286 /nfs/dbraw/zinc/62/42/86/373624286.db2.gz HRMHDZOAWGUPNX-JYJNAYRXSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300308110 373624288 /nfs/dbraw/zinc/62/42/88/373624288.db2.gz HRMHDZOAWGUPNX-JYJNAYRXSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc[nH+]1 ZINC000301246498 373710163 /nfs/dbraw/zinc/71/01/63/373710163.db2.gz OILRMPANQCMOHE-AWEZNQCLSA-N 2 2 286.379 3.017 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000177806903 373710808 /nfs/dbraw/zinc/71/08/08/373710808.db2.gz OZZMMFNFUGMAKL-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449434017 373711445 /nfs/dbraw/zinc/71/14/45/373711445.db2.gz OWEJSVLSMRMCDW-ZIAGYGMSSA-N 2 2 257.381 3.250 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000301268191 373720487 /nfs/dbraw/zinc/72/04/87/373720487.db2.gz MXRYVUQECIBBTH-UHFFFAOYSA-N 2 2 296.349 3.412 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(OC)c1 ZINC000353650908 220224441 /nfs/dbraw/zinc/22/44/41/220224441.db2.gz SFHHRTLGJMCIIY-ZFWWWQNUSA-N 2 2 285.391 3.017 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(OC)c1 ZINC000353650908 220224444 /nfs/dbraw/zinc/22/44/44/220224444.db2.gz SFHHRTLGJMCIIY-ZFWWWQNUSA-N 2 2 285.391 3.017 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335633 373681626 /nfs/dbraw/zinc/68/16/26/373681626.db2.gz LUBOKZMDBVONIK-SYQHCUMBSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449335633 373681634 /nfs/dbraw/zinc/68/16/34/373681634.db2.gz LUBOKZMDBVONIK-SYQHCUMBSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccoc1 ZINC000177897139 373722047 /nfs/dbraw/zinc/72/20/47/373722047.db2.gz PLQJBCOEUYAMOU-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccoc2)cn1 ZINC000178413385 373776190 /nfs/dbraw/zinc/77/61/90/373776190.db2.gz YHYBLZQFLJDZMB-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP Cc1cccn2c(C[NH2+]C(C)(C)C3CCC3)c[nH+]c12 ZINC000449520411 373819932 /nfs/dbraw/zinc/81/99/32/373819932.db2.gz PIOUOFMHBXQSFZ-UHFFFAOYSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1cc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc[nH+]1 ZINC000302215046 373828580 /nfs/dbraw/zinc/82/85/80/373828580.db2.gz GZMYFZLZAVGJPP-QGZVFWFLSA-N 2 2 298.434 3.354 20 0 CGADLP Cc1cc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc[nH+]1 ZINC000302215046 373828586 /nfs/dbraw/zinc/82/85/86/373828586.db2.gz GZMYFZLZAVGJPP-QGZVFWFLSA-N 2 2 298.434 3.354 20 0 CGADLP CCO[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000449492363 373785269 /nfs/dbraw/zinc/78/52/69/373785269.db2.gz BVWPPPBELMFJCY-DOTOQJQBSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1C ZINC000449492363 373785276 /nfs/dbraw/zinc/78/52/76/373785276.db2.gz BVWPPPBELMFJCY-DOTOQJQBSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449756531 373884362 /nfs/dbraw/zinc/88/43/62/373884362.db2.gz BJCGNBXPTSAUAP-HZPDHXFCSA-N 2 2 287.407 3.080 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179957446 373945991 /nfs/dbraw/zinc/94/59/91/373945991.db2.gz ACFHHBAPQBKDSV-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179957446 373945999 /nfs/dbraw/zinc/94/59/99/373945999.db2.gz ACFHHBAPQBKDSV-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCCOc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179836193 373925408 /nfs/dbraw/zinc/92/54/08/373925408.db2.gz UDRKFPVKNIYDBM-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C)c1 ZINC000353669887 220240495 /nfs/dbraw/zinc/24/04/95/220240495.db2.gz JXYHTQYQIXQVBC-CVEARBPZSA-N 2 2 269.392 3.247 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000450339814 374067152 /nfs/dbraw/zinc/06/71/52/374067152.db2.gz BZMVMQRVCPHHGV-HUUCEWRRSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000450339814 374067157 /nfs/dbraw/zinc/06/71/57/374067157.db2.gz BZMVMQRVCPHHGV-HUUCEWRRSA-N 2 2 286.410 3.372 20 0 CGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000450471170 374153684 /nfs/dbraw/zinc/15/36/84/374153684.db2.gz VTFRRHFZMIEAHP-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000450471170 374153690 /nfs/dbraw/zinc/15/36/90/374153690.db2.gz VTFRRHFZMIEAHP-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000450471170 374153697 /nfs/dbraw/zinc/15/36/97/374153697.db2.gz VTFRRHFZMIEAHP-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000450471170 374153700 /nfs/dbraw/zinc/15/37/00/374153700.db2.gz VTFRRHFZMIEAHP-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCCC[C@@H](C)C1 ZINC000450768698 374177728 /nfs/dbraw/zinc/17/77/28/374177728.db2.gz DGVGMEXQZYYGRG-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCCC[C@@H](C)C1 ZINC000450768698 374177734 /nfs/dbraw/zinc/17/77/34/374177734.db2.gz DGVGMEXQZYYGRG-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000450768698 374177740 /nfs/dbraw/zinc/17/77/40/374177740.db2.gz DGVGMEXQZYYGRG-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCCC[C@@H](C)C1 ZINC000450768698 374177749 /nfs/dbraw/zinc/17/77/49/374177749.db2.gz DGVGMEXQZYYGRG-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CSCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115682 374240081 /nfs/dbraw/zinc/24/00/81/374240081.db2.gz KVFLZBSEUSRQEO-UHFFFAOYSA-N 2 2 298.418 3.088 20 0 CGADLP CSCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115682 374240084 /nfs/dbraw/zinc/24/00/84/374240084.db2.gz KVFLZBSEUSRQEO-UHFFFAOYSA-N 2 2 298.418 3.088 20 0 CGADLP CCC[NH+]1CCC([NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000182241356 374243370 /nfs/dbraw/zinc/24/33/70/374243370.db2.gz YEQOKNDQHXOHDD-UHFFFAOYSA-N 2 2 276.399 3.279 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312602990 374284954 /nfs/dbraw/zinc/28/49/54/374284954.db2.gz NWMFOZXYXSXZAG-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312602990 374284966 /nfs/dbraw/zinc/28/49/66/374284966.db2.gz NWMFOZXYXSXZAG-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCCC23CCCC3)n1C ZINC000314685925 374321901 /nfs/dbraw/zinc/32/19/01/374321901.db2.gz BYMLPJXWAJIYFP-HNNXBMFYSA-N 2 2 290.455 3.079 20 0 CGADLP Cc1ccc2[nH+]c(Cn3cc[nH+]c3C(C)C)cn2c1 ZINC000182810940 374330229 /nfs/dbraw/zinc/33/02/29/374330229.db2.gz FQJJGAWBDYIVCD-UHFFFAOYSA-N 2 2 254.337 3.011 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000328336782 374363384 /nfs/dbraw/zinc/36/33/84/374363384.db2.gz JLJSNAALLGLIAR-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000328336782 374363391 /nfs/dbraw/zinc/36/33/91/374363391.db2.gz JLJSNAALLGLIAR-JSGCOSHPSA-N 2 2 264.438 3.153 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000453080374 374364130 /nfs/dbraw/zinc/36/41/30/374364130.db2.gz LMWCQKGTOIBWDU-CVEARBPZSA-N 2 2 294.487 3.310 20 0 CGADLP CCC1([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000453273969 374384639 /nfs/dbraw/zinc/38/46/39/374384639.db2.gz ALBCWUMVUAGMES-GDBMZVCRSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000453273969 374384646 /nfs/dbraw/zinc/38/46/46/374384646.db2.gz ALBCWUMVUAGMES-GDBMZVCRSA-N 2 2 258.409 3.039 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000334174239 206143886 /nfs/dbraw/zinc/14/38/86/206143886.db2.gz BYNZKICCEZSGBE-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000334174239 206143891 /nfs/dbraw/zinc/14/38/91/206143891.db2.gz BYNZKICCEZSGBE-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP CC1(C)C[C@H]([NH2+]CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090169030 541956964 /nfs/dbraw/zinc/95/69/64/541956964.db2.gz OFNHMKWZHVSWNA-INIZCTEOSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@H]([NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000090169030 541956970 /nfs/dbraw/zinc/95/69/70/541956970.db2.gz OFNHMKWZHVSWNA-INIZCTEOSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1ccn2c(C[NH+]3CCC4(CCOCC4)CC3)c[nH+]c2c1 ZINC000334177232 206149133 /nfs/dbraw/zinc/14/91/33/206149133.db2.gz DIZZMQLGKHIAJM-UHFFFAOYSA-N 2 2 299.418 3.035 20 0 CGADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185192374 374607836 /nfs/dbraw/zinc/60/78/36/374607836.db2.gz ZKXPNFVQRBBTOM-HZPDHXFCSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152344930 296222307 /nfs/dbraw/zinc/22/23/07/296222307.db2.gz FRWRUPARPZZYJI-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152344930 296222309 /nfs/dbraw/zinc/22/23/09/296222309.db2.gz FRWRUPARPZZYJI-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152344930 296222310 /nfs/dbraw/zinc/22/23/10/296222310.db2.gz FRWRUPARPZZYJI-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152344930 296222311 /nfs/dbraw/zinc/22/23/11/296222311.db2.gz FRWRUPARPZZYJI-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(C)s1 ZINC000334247465 206251260 /nfs/dbraw/zinc/25/12/60/206251260.db2.gz VWOIARCLCLLYOG-UHFFFAOYSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1cnc(C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)o1 ZINC000334424035 374740034 /nfs/dbraw/zinc/74/00/34/374740034.db2.gz GDQQTGPYCAGZFO-UHFFFAOYSA-N 2 2 271.364 3.066 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186232817 374818357 /nfs/dbraw/zinc/81/83/57/374818357.db2.gz KGTJQOAUXCIIRR-ZDUSSCGKSA-N 2 2 257.381 3.045 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320351 296224483 /nfs/dbraw/zinc/22/44/83/296224483.db2.gz OTKPOQLHMUBZQH-GARJFASQSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320351 296224485 /nfs/dbraw/zinc/22/44/85/296224485.db2.gz OTKPOQLHMUBZQH-GARJFASQSA-N 2 2 285.218 3.206 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000480262622 375158151 /nfs/dbraw/zinc/15/81/51/375158151.db2.gz XVHRMNXAWKPHDX-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000480262622 375158159 /nfs/dbraw/zinc/15/81/59/375158159.db2.gz XVHRMNXAWKPHDX-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481948487 375167583 /nfs/dbraw/zinc/16/75/83/375167583.db2.gz AMRFMQQIOGVGPA-MSOLQXFVSA-N 2 2 292.467 3.248 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000474604315 375119669 /nfs/dbraw/zinc/11/96/69/375119669.db2.gz HGUXCZXRCPEWJF-QAPCUYQASA-N 2 2 274.452 3.328 20 0 CGADLP CC1([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]CC1 ZINC000335168328 375194934 /nfs/dbraw/zinc/19/49/34/375194934.db2.gz HMGPUZXLHGRHAG-UHFFFAOYSA-N 2 2 279.236 3.287 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[NH+]1CCC(C)CC1 ZINC000486938661 375199959 /nfs/dbraw/zinc/19/99/59/375199959.db2.gz MYFDPVNPOOSBBV-RBSFLKMASA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261587500 296227247 /nfs/dbraw/zinc/22/72/47/296227247.db2.gz JMIMYBSCRHHQAA-XHDPSFHLSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261587500 296227249 /nfs/dbraw/zinc/22/72/49/296227249.db2.gz JMIMYBSCRHHQAA-XHDPSFHLSA-N 2 2 282.790 3.226 20 0 CGADLP CCOC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000188870758 375284823 /nfs/dbraw/zinc/28/48/23/375284823.db2.gz DXUWUBIGVOZCFL-QGZVFWFLSA-N 2 2 287.407 3.023 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CS1 ZINC000488416368 375308667 /nfs/dbraw/zinc/30/86/67/375308667.db2.gz IMQLRHHUHPBMCU-FZKCQIBNSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CS1 ZINC000488416368 375308671 /nfs/dbraw/zinc/30/86/71/375308671.db2.gz IMQLRHHUHPBMCU-FZKCQIBNSA-N 2 2 284.513 3.369 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)nc1 ZINC000335757172 375404527 /nfs/dbraw/zinc/40/45/27/375404527.db2.gz XPIYQGZXMMVTKT-MSOLQXFVSA-N 2 2 293.414 3.075 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)nc1 ZINC000335757172 375404536 /nfs/dbraw/zinc/40/45/36/375404536.db2.gz XPIYQGZXMMVTKT-MSOLQXFVSA-N 2 2 293.414 3.075 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000335798132 375439354 /nfs/dbraw/zinc/43/93/54/375439354.db2.gz HDSHRUFRYHSESO-MRXNPFEDSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000335798132 375439356 /nfs/dbraw/zinc/43/93/56/375439356.db2.gz HDSHRUFRYHSESO-MRXNPFEDSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336004857 375611881 /nfs/dbraw/zinc/61/18/81/375611881.db2.gz JSVOPTVUIFJDOQ-LBPRGKRZSA-N 2 2 296.201 3.364 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336004857 375611882 /nfs/dbraw/zinc/61/18/82/375611882.db2.gz JSVOPTVUIFJDOQ-LBPRGKRZSA-N 2 2 296.201 3.364 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000192015065 375689486 /nfs/dbraw/zinc/68/94/86/375689486.db2.gz UOZZFZFSAJCJDF-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000192015065 375689493 /nfs/dbraw/zinc/68/94/93/375689493.db2.gz UOZZFZFSAJCJDF-MRXNPFEDSA-N 2 2 299.418 3.039 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000507466386 375703255 /nfs/dbraw/zinc/70/32/55/375703255.db2.gz CVMFDLJLIVRMBC-YESZJQIVSA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000509122485 375772876 /nfs/dbraw/zinc/77/28/76/375772876.db2.gz DDAUVBXZRNTVNF-DOTOQJQBSA-N 2 2 280.431 3.481 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@H](C)F ZINC000509122485 375772880 /nfs/dbraw/zinc/77/28/80/375772880.db2.gz DDAUVBXZRNTVNF-DOTOQJQBSA-N 2 2 280.431 3.481 20 0 CGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000194066626 375958201 /nfs/dbraw/zinc/95/82/01/375958201.db2.gz BYQRFUFLAXCQOE-RHSMWYFYSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C ZINC000194066626 375958209 /nfs/dbraw/zinc/95/82/09/375958209.db2.gz BYQRFUFLAXCQOE-RHSMWYFYSA-N 2 2 299.418 3.283 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802565 375951003 /nfs/dbraw/zinc/95/10/03/375951003.db2.gz VCGIHSWMLADYMY-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802565 375951008 /nfs/dbraw/zinc/95/10/08/375951008.db2.gz VCGIHSWMLADYMY-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802565 375951015 /nfs/dbraw/zinc/95/10/15/375951015.db2.gz VCGIHSWMLADYMY-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sc(C)nc2C)C[C@H]1C ZINC000336802565 375951019 /nfs/dbraw/zinc/95/10/19/375951019.db2.gz VCGIHSWMLADYMY-BXUZGUMPSA-N 2 2 281.469 3.065 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000534580217 375993627 /nfs/dbraw/zinc/99/36/27/375993627.db2.gz XONTYAPJGXYCRN-LBPRGKRZSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000534580217 375993634 /nfs/dbraw/zinc/99/36/34/375993634.db2.gz XONTYAPJGXYCRN-LBPRGKRZSA-N 2 2 298.415 3.019 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489436 296238329 /nfs/dbraw/zinc/23/83/29/296238329.db2.gz WQZGCQOEKAGCKW-LBPRGKRZSA-N 2 2 264.800 3.229 20 0 CGADLP CCc1ccc(CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000535307035 376032520 /nfs/dbraw/zinc/03/25/20/376032520.db2.gz FEQBTYOCIPOAIT-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccc(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000535307035 376032523 /nfs/dbraw/zinc/03/25/23/376032523.db2.gz FEQBTYOCIPOAIT-QGZVFWFLSA-N 2 2 283.419 3.015 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809063 376064937 /nfs/dbraw/zinc/06/49/37/376064937.db2.gz DMTWIMIUUPIMMW-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809063 376064944 /nfs/dbraw/zinc/06/49/44/376064944.db2.gz DMTWIMIUUPIMMW-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809063 376064953 /nfs/dbraw/zinc/06/49/53/376064953.db2.gz DMTWIMIUUPIMMW-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000535809063 376064958 /nfs/dbraw/zinc/06/49/58/376064958.db2.gz DMTWIMIUUPIMMW-VQIMIIECSA-N 2 2 295.430 3.151 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221146086 376212633 /nfs/dbraw/zinc/21/26/33/376212633.db2.gz KHCYNFLLXXKTKJ-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221146086 376212636 /nfs/dbraw/zinc/21/26/36/376212636.db2.gz KHCYNFLLXXKTKJ-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116828 376221706 /nfs/dbraw/zinc/22/17/06/376221706.db2.gz OKNNLQDZKBBWBO-GUYCJALGSA-N 2 2 276.399 3.208 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000538116828 376221710 /nfs/dbraw/zinc/22/17/10/376221710.db2.gz OKNNLQDZKBBWBO-GUYCJALGSA-N 2 2 276.399 3.208 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000538709084 376258074 /nfs/dbraw/zinc/25/80/74/376258074.db2.gz LQUBLZDCLNDYTQ-YJBOKZPZSA-N 2 2 283.419 3.495 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000538716326 376258424 /nfs/dbraw/zinc/25/84/24/376258424.db2.gz HGYAGDUQXHRMPL-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000338300221 376322935 /nfs/dbraw/zinc/32/29/35/376322935.db2.gz YNRZKOQLECNIAW-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000338300221 376322943 /nfs/dbraw/zinc/32/29/43/376322943.db2.gz YNRZKOQLECNIAW-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000226017296 376336778 /nfs/dbraw/zinc/33/67/78/376336778.db2.gz QZELTYXUASKHCJ-JXQTWKCFSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000226017296 376336789 /nfs/dbraw/zinc/33/67/89/376336789.db2.gz QZELTYXUASKHCJ-JXQTWKCFSA-N 2 2 278.827 3.270 20 0 CGADLP Cc1cccc2[nH+]cc(C[NH+]3CCc4ccccc4CC3)n21 ZINC000539832549 376337005 /nfs/dbraw/zinc/33/70/05/376337005.db2.gz SVKJGPLWDYLYMS-UHFFFAOYSA-N 2 2 291.398 3.244 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1F ZINC000338233765 376291500 /nfs/dbraw/zinc/29/15/00/376291500.db2.gz JJVIZQBMGWZNLT-UHFFFAOYSA-N 2 2 266.404 3.380 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1F ZINC000338233765 376291505 /nfs/dbraw/zinc/29/15/05/376291505.db2.gz JJVIZQBMGWZNLT-UHFFFAOYSA-N 2 2 266.404 3.380 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226466212 376361631 /nfs/dbraw/zinc/36/16/31/376361631.db2.gz DCVJUJNHPDUXGM-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226466212 376361634 /nfs/dbraw/zinc/36/16/34/376361634.db2.gz DCVJUJNHPDUXGM-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000226637963 376368354 /nfs/dbraw/zinc/36/83/54/376368354.db2.gz BCTJPSMBUNWESV-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC000226637963 376368359 /nfs/dbraw/zinc/36/83/59/376368359.db2.gz BCTJPSMBUNWESV-RYUDHWBXSA-N 2 2 297.240 3.051 20 0 CGADLP CCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000226784348 376372758 /nfs/dbraw/zinc/37/27/58/376372758.db2.gz MQWYXASNQFYPCS-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000229184497 376457361 /nfs/dbraw/zinc/45/73/61/376457361.db2.gz SPXXRMFUNYGERI-UHFFFAOYSA-N 2 2 284.190 3.370 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230970618 376550233 /nfs/dbraw/zinc/55/02/33/376550233.db2.gz QXACKQJYIGBZJR-ZDUSSCGKSA-N 2 2 264.413 3.042 20 0 CGADLP CCc1cnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000230707299 376538865 /nfs/dbraw/zinc/53/88/65/376538865.db2.gz LXHIMERDLURKNL-UHFFFAOYSA-N 2 2 298.415 3.181 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000235045663 376629134 /nfs/dbraw/zinc/62/91/34/376629134.db2.gz TZTAZJGXFGEPEW-STQMWFEESA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000235045663 376629140 /nfs/dbraw/zinc/62/91/40/376629140.db2.gz TZTAZJGXFGEPEW-STQMWFEESA-N 2 2 285.391 3.138 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[C@H]1C ZINC000543393790 376635295 /nfs/dbraw/zinc/63/52/95/376635295.db2.gz LBWNXBFCIDEJFD-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[C@H]1C ZINC000543393790 376635302 /nfs/dbraw/zinc/63/53/02/376635302.db2.gz LBWNXBFCIDEJFD-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[C@H]1C ZINC000543393790 376635315 /nfs/dbraw/zinc/63/53/15/376635315.db2.gz LBWNXBFCIDEJFD-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC[C@H]1C ZINC000543393790 376635326 /nfs/dbraw/zinc/63/53/26/376635326.db2.gz LBWNXBFCIDEJFD-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236708987 376685340 /nfs/dbraw/zinc/68/53/40/376685340.db2.gz JXXWEQNMFZBPGM-HNAYVOBHSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236708987 376685342 /nfs/dbraw/zinc/68/53/42/376685342.db2.gz JXXWEQNMFZBPGM-HNAYVOBHSA-N 2 2 286.463 3.457 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339233556 376739898 /nfs/dbraw/zinc/73/98/98/376739898.db2.gz DPVNQFQMIZUBTH-QGZVFWFLSA-N 2 2 270.420 3.280 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000339233556 376739906 /nfs/dbraw/zinc/73/99/06/376739906.db2.gz DPVNQFQMIZUBTH-QGZVFWFLSA-N 2 2 270.420 3.280 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccccc32)CC[N@@H+]1C ZINC000156160279 542126640 /nfs/dbraw/zinc/12/66/40/542126640.db2.gz VXQVJOWZGMHZCM-XNRPHZJLSA-N 2 2 276.449 3.047 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccccc32)CC[N@H+]1C ZINC000156160279 542126643 /nfs/dbraw/zinc/12/66/43/542126643.db2.gz VXQVJOWZGMHZCM-XNRPHZJLSA-N 2 2 276.449 3.047 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)o1 ZINC000156347218 542128134 /nfs/dbraw/zinc/12/81/34/542128134.db2.gz UYQIGJCEMCQOQM-CQSZACIVSA-N 2 2 283.375 3.437 20 0 CGADLP CCn1c2ccccc2[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000158914361 542146154 /nfs/dbraw/zinc/14/61/54/542146154.db2.gz QTCUTLUJNCDSPB-UHFFFAOYSA-N 2 2 291.358 3.316 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556877497 376898162 /nfs/dbraw/zinc/89/81/62/376898162.db2.gz JPKBTFDHEMWRKP-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556877497 376898175 /nfs/dbraw/zinc/89/81/75/376898175.db2.gz JPKBTFDHEMWRKP-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000245553029 376850330 /nfs/dbraw/zinc/85/03/30/376850330.db2.gz QXOOTKWGLMXJPY-FMKPAKJESA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000245553029 376850344 /nfs/dbraw/zinc/85/03/44/376850344.db2.gz QXOOTKWGLMXJPY-FMKPAKJESA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245553029 376850357 /nfs/dbraw/zinc/85/03/57/376850357.db2.gz QXOOTKWGLMXJPY-FMKPAKJESA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245553029 376850365 /nfs/dbraw/zinc/85/03/65/376850365.db2.gz QXOOTKWGLMXJPY-FMKPAKJESA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000556869498 376894942 /nfs/dbraw/zinc/89/49/42/376894942.db2.gz IYTRDJKLSAMFAJ-ZIAGYGMSSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000556869498 376894956 /nfs/dbraw/zinc/89/49/56/376894956.db2.gz IYTRDJKLSAMFAJ-ZIAGYGMSSA-N 2 2 296.405 3.217 20 0 CGADLP c1c(CC[NH2+][C@H]2CCCC23CCCC3)[nH+]c2n1CCCC2 ZINC000340175975 376935752 /nfs/dbraw/zinc/93/57/52/376935752.db2.gz SOAWJVAYSSXHRH-INIZCTEOSA-N 2 2 287.451 3.464 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@H+](CC)C[C@@H]2C)c[nH+]1 ZINC000245934445 376938305 /nfs/dbraw/zinc/93/83/05/376938305.db2.gz WSJMSEMOVFVJLN-GOEBONIOSA-N 2 2 290.455 3.070 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c[nH+]1 ZINC000245934445 376938313 /nfs/dbraw/zinc/93/83/13/376938313.db2.gz WSJMSEMOVFVJLN-GOEBONIOSA-N 2 2 290.455 3.070 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340234003 376956471 /nfs/dbraw/zinc/95/64/71/376956471.db2.gz GPVUHCJFOSDEQW-GUYCJALGSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340234003 376956479 /nfs/dbraw/zinc/95/64/79/376956479.db2.gz GPVUHCJFOSDEQW-GUYCJALGSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000246488573 377041935 /nfs/dbraw/zinc/04/19/35/377041935.db2.gz PDOAVODCKCMPBD-TZMCWYRMSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000246488573 377041948 /nfs/dbraw/zinc/04/19/48/377041948.db2.gz PDOAVODCKCMPBD-TZMCWYRMSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000558220878 376985973 /nfs/dbraw/zinc/98/59/73/376985973.db2.gz DBOQHRRTFISWGG-GRGSLBFTSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000558220878 376985976 /nfs/dbraw/zinc/98/59/76/376985976.db2.gz DBOQHRRTFISWGG-GRGSLBFTSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340303106 376993459 /nfs/dbraw/zinc/99/34/59/376993459.db2.gz VZKJETVWQPGREO-DCGLDWPTSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C2CC2)c1 ZINC000340303106 376993466 /nfs/dbraw/zinc/99/34/66/376993466.db2.gz VZKJETVWQPGREO-DCGLDWPTSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000340429034 377053732 /nfs/dbraw/zinc/05/37/32/377053732.db2.gz ZOSXZAZTOXCUMS-CQSZACIVSA-N 2 2 281.359 3.321 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340443304 377060527 /nfs/dbraw/zinc/06/05/27/377060527.db2.gz GAPNBDSIEABRLW-GRGSLBFTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)C[C@H]1c1ccccc1 ZINC000340443304 377060532 /nfs/dbraw/zinc/06/05/32/377060532.db2.gz GAPNBDSIEABRLW-GRGSLBFTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246711357 377074642 /nfs/dbraw/zinc/07/46/42/377074642.db2.gz COHPAJGFESAWSB-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246711357 377074654 /nfs/dbraw/zinc/07/46/54/377074654.db2.gz COHPAJGFESAWSB-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246711357 377074662 /nfs/dbraw/zinc/07/46/62/377074662.db2.gz COHPAJGFESAWSB-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246711357 377074668 /nfs/dbraw/zinc/07/46/68/377074668.db2.gz COHPAJGFESAWSB-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340467992 377079009 /nfs/dbraw/zinc/07/90/09/377079009.db2.gz CPGMCAUMLLGGIF-ZDUSSCGKSA-N 2 2 279.403 3.136 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000560514009 377161386 /nfs/dbraw/zinc/16/13/86/377161386.db2.gz QPMXPSCADRUJOR-BZSNNMDCSA-N 2 2 292.442 3.277 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248047961 377260061 /nfs/dbraw/zinc/26/00/61/377260061.db2.gz VPUZHYCTNFMNTJ-AEFFLSMTSA-N 2 2 289.467 3.462 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248047961 377260076 /nfs/dbraw/zinc/26/00/76/377260076.db2.gz VPUZHYCTNFMNTJ-AEFFLSMTSA-N 2 2 289.467 3.462 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccs1 ZINC000248033373 377261100 /nfs/dbraw/zinc/26/11/00/377261100.db2.gz QVFJOPHNWLCMTB-KKUMJFAQSA-N 2 2 296.480 3.288 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000248522622 377335125 /nfs/dbraw/zinc/33/51/25/377335125.db2.gz SAVGOYVCQSIWFM-KMFMINBZSA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000248522622 377335130 /nfs/dbraw/zinc/33/51/30/377335130.db2.gz SAVGOYVCQSIWFM-KMFMINBZSA-N 2 2 273.424 3.138 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000249051515 377450065 /nfs/dbraw/zinc/45/00/65/377450065.db2.gz OFHGMMJCPHXKJC-HUUCEWRRSA-N 2 2 270.486 3.078 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000249051515 377450072 /nfs/dbraw/zinc/45/00/72/377450072.db2.gz OFHGMMJCPHXKJC-HUUCEWRRSA-N 2 2 270.486 3.078 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC000163655877 542167524 /nfs/dbraw/zinc/16/75/24/542167524.db2.gz UEHUDXMOGDKTCD-MRXNPFEDSA-N 2 2 290.451 3.065 20 0 CGADLP Clc1cccc2c(NCCn3cc[nH+]c3)cc[nH+]c12 ZINC000341356515 377525928 /nfs/dbraw/zinc/52/59/28/377525928.db2.gz FZOSWLQRKQRXGG-UHFFFAOYSA-N 2 2 272.739 3.197 20 0 CGADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C)c1 ZINC000313258262 249089818 /nfs/dbraw/zinc/08/98/18/249089818.db2.gz WRGVUOADKQKDEX-INIZCTEOSA-N 2 2 257.381 3.012 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000374609928 249119787 /nfs/dbraw/zinc/11/97/87/249119787.db2.gz FZPYVTIQNAEZNI-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000374609928 249119788 /nfs/dbraw/zinc/11/97/88/249119788.db2.gz FZPYVTIQNAEZNI-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCCC[NH2+]1 ZINC000514930846 249194468 /nfs/dbraw/zinc/19/44/68/249194468.db2.gz YZRGLGRTWLERQH-SWLSCSKDSA-N 2 2 258.365 3.053 20 0 CGADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516571442 249237314 /nfs/dbraw/zinc/23/73/14/249237314.db2.gz YUZIBAKDNLAEAR-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516571442 249237317 /nfs/dbraw/zinc/23/73/17/249237317.db2.gz YUZIBAKDNLAEAR-MRXNPFEDSA-N 2 2 296.817 3.097 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000515863073 249222258 /nfs/dbraw/zinc/22/22/58/249222258.db2.gz FGNMHCOLWRABFM-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000515863073 249222261 /nfs/dbraw/zinc/22/22/61/249222261.db2.gz FGNMHCOLWRABFM-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCSc3ccccc3)CC2)[nH]1 ZINC000265536342 190188516 /nfs/dbraw/zinc/18/85/16/190188516.db2.gz WAPFUFMRTTZRJQ-UHFFFAOYSA-N 2 2 287.432 3.381 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000516998467 249253487 /nfs/dbraw/zinc/25/34/87/249253487.db2.gz UONHXFDRMOCHGA-CQSZACIVSA-N 2 2 291.345 3.347 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000516998467 249253489 /nfs/dbraw/zinc/25/34/89/249253489.db2.gz UONHXFDRMOCHGA-CQSZACIVSA-N 2 2 291.345 3.347 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180098257 542205794 /nfs/dbraw/zinc/20/57/94/542205794.db2.gz MMIAHDCQLFVJNO-RHSMWYFYSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180098257 542205799 /nfs/dbraw/zinc/20/57/99/542205799.db2.gz MMIAHDCQLFVJNO-RHSMWYFYSA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000180761796 542214435 /nfs/dbraw/zinc/21/44/35/542214435.db2.gz JXFKBOZRDAWMAZ-GRDNDAEWSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000180761796 542214438 /nfs/dbraw/zinc/21/44/38/542214438.db2.gz JXFKBOZRDAWMAZ-GRDNDAEWSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000252708763 377652492 /nfs/dbraw/zinc/65/24/92/377652492.db2.gz BAWJGOOIDNWNGK-PAURTPPISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C[N@H+]1C1CC1 ZINC000252708763 377652497 /nfs/dbraw/zinc/65/24/97/377652497.db2.gz BAWJGOOIDNWNGK-PAURTPPISA-N 2 2 250.430 3.026 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252700726 377652602 /nfs/dbraw/zinc/65/26/02/377652602.db2.gz AZZGFLNPFNHDTJ-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252700726 377652604 /nfs/dbraw/zinc/65/26/04/377652604.db2.gz AZZGFLNPFNHDTJ-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713668 377654605 /nfs/dbraw/zinc/65/46/05/377654605.db2.gz PWZAXWMCZKHWMK-FSDCSDTHSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713668 377654615 /nfs/dbraw/zinc/65/46/15/377654615.db2.gz PWZAXWMCZKHWMK-FSDCSDTHSA-N 2 2 264.457 3.416 20 0 CGADLP CCC1CC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000342616063 377691896 /nfs/dbraw/zinc/69/18/96/377691896.db2.gz OWIOJADPRKALNS-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP C[NH+](C)C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181547358 542219533 /nfs/dbraw/zinc/21/95/33/542219533.db2.gz CYCREYJBPMZBFU-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000253337076 377683326 /nfs/dbraw/zinc/68/33/26/377683326.db2.gz YXBNAHFWZMOBGC-JLLWLGSASA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000253337076 377683328 /nfs/dbraw/zinc/68/33/28/377683328.db2.gz YXBNAHFWZMOBGC-JLLWLGSASA-N 2 2 284.856 3.319 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000342706618 377747223 /nfs/dbraw/zinc/74/72/23/377747223.db2.gz IVWICYSNNQJNSH-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000342706618 377747229 /nfs/dbraw/zinc/74/72/29/377747229.db2.gz IVWICYSNNQJNSH-IRXDYDNUSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC3(CCOCC3)CC2)c[nH+]1 ZINC000342845829 377832182 /nfs/dbraw/zinc/83/21/82/377832182.db2.gz XRWWKWSYRQWBHO-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871832 377862707 /nfs/dbraw/zinc/86/27/07/377862707.db2.gz XMFJARGNXOBERR-MDASCCDHSA-N 2 2 296.414 3.183 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261871832 377862713 /nfs/dbraw/zinc/86/27/13/377862713.db2.gz XMFJARGNXOBERR-MDASCCDHSA-N 2 2 296.414 3.183 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261998149 377877336 /nfs/dbraw/zinc/87/73/36/377877336.db2.gz TVVFIHMVWFNHPP-JTQLQIEISA-N 2 2 292.370 3.198 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261998149 377877342 /nfs/dbraw/zinc/87/73/42/377877342.db2.gz TVVFIHMVWFNHPP-JTQLQIEISA-N 2 2 292.370 3.198 20 0 CGADLP Fc1cccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342916207 377858382 /nfs/dbraw/zinc/85/83/82/377858382.db2.gz IKENHPCIZLGEJD-HNNXBMFYSA-N 2 2 295.361 3.463 20 0 CGADLP Fc1cccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000342916207 377858386 /nfs/dbraw/zinc/85/83/86/377858386.db2.gz IKENHPCIZLGEJD-HNNXBMFYSA-N 2 2 295.361 3.463 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000578056040 378033506 /nfs/dbraw/zinc/03/35/06/378033506.db2.gz NSIYAMQPTDZSJH-NIKGAXFTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000578056040 378033510 /nfs/dbraw/zinc/03/35/10/378033510.db2.gz NSIYAMQPTDZSJH-NIKGAXFTSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H](O)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232066 378048574 /nfs/dbraw/zinc/04/85/74/378048574.db2.gz GWBWTSPIXNMRTM-JYJNAYRXSA-N 2 2 290.451 3.009 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1F ZINC000268792217 378112075 /nfs/dbraw/zinc/11/20/75/378112075.db2.gz DQKYMVRUQHEGEL-RYUDHWBXSA-N 2 2 293.411 3.483 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCC(C)CC1 ZINC000343897725 378127742 /nfs/dbraw/zinc/12/77/42/378127742.db2.gz YSDVCBNHAJARPJ-HZPDHXFCSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873951 378138307 /nfs/dbraw/zinc/13/83/07/378138307.db2.gz DJAQUYURDBDTKT-UEKVPHQBSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873951 378138316 /nfs/dbraw/zinc/13/83/16/378138316.db2.gz DJAQUYURDBDTKT-UEKVPHQBSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@H](CC1CC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771405 378105580 /nfs/dbraw/zinc/10/55/80/378105580.db2.gz QAKBQAOTYLVMJY-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000268777789 378107893 /nfs/dbraw/zinc/10/78/93/378107893.db2.gz WLPVFKAFEIKVPK-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP CC1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCCCCC1 ZINC000579897461 378205996 /nfs/dbraw/zinc/20/59/96/378205996.db2.gz COEDASSZDLJWQC-ZDUSSCGKSA-N 2 2 261.413 3.217 20 0 CGADLP CC1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CCCCCC1 ZINC000579897461 378205999 /nfs/dbraw/zinc/20/59/99/378205999.db2.gz COEDASSZDLJWQC-ZDUSSCGKSA-N 2 2 261.413 3.217 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H](c4[nH+]ccn4C)C3)c2c1 ZINC000579585983 378174391 /nfs/dbraw/zinc/17/43/91/378174391.db2.gz ZNQUNMPTCZZTFD-OAHLLOKOSA-N 2 2 292.386 3.271 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000269047689 378179877 /nfs/dbraw/zinc/17/98/77/378179877.db2.gz HULMYXPZSKCHNW-MRXNPFEDSA-N 2 2 297.402 3.169 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccsc21 ZINC000269532698 378233810 /nfs/dbraw/zinc/23/38/10/378233810.db2.gz ZFJDUEZWNNPIHP-UHFFFAOYSA-N 2 2 286.404 3.328 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000580395773 378248372 /nfs/dbraw/zinc/24/83/72/378248372.db2.gz RXVMCDDXYQGXCA-CQSZACIVSA-N 2 2 288.416 3.359 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000580395773 378248377 /nfs/dbraw/zinc/24/83/77/378248377.db2.gz RXVMCDDXYQGXCA-CQSZACIVSA-N 2 2 288.416 3.359 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000270023781 378296176 /nfs/dbraw/zinc/29/61/76/378296176.db2.gz XDNFJHRPLOWOTR-WBMJQRKESA-N 2 2 270.376 3.439 20 0 CGADLP CSCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270370576 378341755 /nfs/dbraw/zinc/34/17/55/378341755.db2.gz UDFYIWAUJSOUCX-AWEZNQCLSA-N 2 2 289.448 3.172 20 0 CGADLP CSCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270370576 378341759 /nfs/dbraw/zinc/34/17/59/378341759.db2.gz UDFYIWAUJSOUCX-AWEZNQCLSA-N 2 2 289.448 3.172 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000270876677 378409223 /nfs/dbraw/zinc/40/92/23/378409223.db2.gz VFBBLVKDXJKGMR-MRXNPFEDSA-N 2 2 257.381 3.356 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000270876677 378409228 /nfs/dbraw/zinc/40/92/28/378409228.db2.gz VFBBLVKDXJKGMR-MRXNPFEDSA-N 2 2 257.381 3.356 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270544263 378367373 /nfs/dbraw/zinc/36/73/73/378367373.db2.gz YFYYQBCAUNNJLX-VIFPVBQESA-N 2 2 299.205 3.123 20 0 CGADLP c1ccc2[nH+]c(NC3CC[NH+](C4CCCC4)CC3)[nH]c2c1 ZINC000270578671 378371793 /nfs/dbraw/zinc/37/17/93/378371793.db2.gz PLHUIKKVDIKGKZ-UHFFFAOYSA-N 2 2 284.407 3.382 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000346109122 378465328 /nfs/dbraw/zinc/46/53/28/378465328.db2.gz UPJYPGIEQSXTBX-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000346109122 378465333 /nfs/dbraw/zinc/46/53/33/378465333.db2.gz UPJYPGIEQSXTBX-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[C@@H]1C ZINC000346167424 378488017 /nfs/dbraw/zinc/48/80/17/378488017.db2.gz KHOLWEMJLHELAU-STQMWFEESA-N 2 2 275.421 3.412 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC[C@@H]1C ZINC000346167424 378488020 /nfs/dbraw/zinc/48/80/20/378488020.db2.gz KHOLWEMJLHELAU-STQMWFEESA-N 2 2 275.421 3.412 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccn1C ZINC000346239748 378516547 /nfs/dbraw/zinc/51/65/47/378516547.db2.gz PBVVLWUJJCJVES-IBGZPJMESA-N 2 2 299.462 3.271 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccn1C ZINC000346239748 378516558 /nfs/dbraw/zinc/51/65/58/378516558.db2.gz PBVVLWUJJCJVES-IBGZPJMESA-N 2 2 299.462 3.271 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1CC(C)C ZINC000346313360 378540208 /nfs/dbraw/zinc/54/02/08/378540208.db2.gz PTXDHMDPVGDIEI-INIZCTEOSA-N 2 2 263.429 3.482 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000346313360 378540212 /nfs/dbraw/zinc/54/02/12/378540212.db2.gz PTXDHMDPVGDIEI-INIZCTEOSA-N 2 2 263.429 3.482 20 0 CGADLP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000346665821 378668254 /nfs/dbraw/zinc/66/82/54/378668254.db2.gz BQJPVPHCKIRRNC-HOCLYGCPSA-N 2 2 287.407 3.018 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638123647 378709856 /nfs/dbraw/zinc/70/98/56/378709856.db2.gz RSRXVYLIWQCDBV-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000638123647 378709862 /nfs/dbraw/zinc/70/98/62/378709862.db2.gz RSRXVYLIWQCDBV-CQSZACIVSA-N 2 2 297.393 3.183 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347923584 378730332 /nfs/dbraw/zinc/73/03/32/378730332.db2.gz OLIDAPHDOYAWDH-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347923584 378730335 /nfs/dbraw/zinc/73/03/35/378730335.db2.gz OLIDAPHDOYAWDH-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409242 378794011 /nfs/dbraw/zinc/79/40/11/378794011.db2.gz WNPZZFHMZVOYFB-RQJABVFESA-N 2 2 288.426 3.376 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638409242 378794014 /nfs/dbraw/zinc/79/40/14/378794014.db2.gz WNPZZFHMZVOYFB-RQJABVFESA-N 2 2 288.426 3.376 20 0 CGADLP CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)OC ZINC000638421337 378797195 /nfs/dbraw/zinc/79/71/95/378797195.db2.gz RPSRGRAMMZVHHR-YOEHRIQHSA-N 2 2 287.407 3.023 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC12CCC(CC1)C2 ZINC000348134132 378806613 /nfs/dbraw/zinc/80/66/13/378806613.db2.gz FJWNFCFUZCJSPO-UHFFFAOYSA-N 2 2 258.409 3.493 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000348134599 378806659 /nfs/dbraw/zinc/80/66/59/378806659.db2.gz PTPRPIFRDRQRDJ-CYBMUJFWSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000348134599 378806660 /nfs/dbraw/zinc/80/66/60/378806660.db2.gz PTPRPIFRDRQRDJ-CYBMUJFWSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccns1)c1ccccc1 ZINC000638601098 378846717 /nfs/dbraw/zinc/84/67/17/378846717.db2.gz IZAUJHPTRNCAQI-ZDUSSCGKSA-N 2 2 289.448 3.362 20 0 CGADLP COCCCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000348302291 378896441 /nfs/dbraw/zinc/89/64/41/378896441.db2.gz BXYFLOPWGDVUTG-KRWDZBQOSA-N 2 2 287.407 3.031 20 0 CGADLP Cc1ccncc1CCC[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000348359737 378927487 /nfs/dbraw/zinc/92/74/87/378927487.db2.gz UUDXPEBWKVMLNS-UHFFFAOYSA-N 2 2 289.467 3.034 20 0 CGADLP Cc1ccncc1CCC[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000348359737 378927493 /nfs/dbraw/zinc/92/74/93/378927493.db2.gz UUDXPEBWKVMLNS-UHFFFAOYSA-N 2 2 289.467 3.034 20 0 CGADLP F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348329773 378913091 /nfs/dbraw/zinc/91/30/91/378913091.db2.gz RJFIWOZLMMJXNJ-BRWVUGGUSA-N 2 2 276.399 3.131 20 0 CGADLP F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348329773 378913098 /nfs/dbraw/zinc/91/30/98/378913098.db2.gz RJFIWOZLMMJXNJ-BRWVUGGUSA-N 2 2 276.399 3.131 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000348334432 378914645 /nfs/dbraw/zinc/91/46/45/378914645.db2.gz PEVXJGKMOBVIOR-OAHLLOKOSA-N 2 2 266.816 3.332 20 0 CGADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405160 378943007 /nfs/dbraw/zinc/94/30/07/378943007.db2.gz GCXDKEBKIACCQL-FRRDWIJNSA-N 2 2 281.469 3.071 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCC1 ZINC000366790386 284734795 /nfs/dbraw/zinc/73/47/95/284734795.db2.gz AHLNOYFIHPWQSD-ZFWWWQNUSA-N 2 2 291.439 3.006 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347184617 218149077 /nfs/dbraw/zinc/14/90/77/218149077.db2.gz YDLJNEUFBQMKDP-KJJZUGDZSA-N 2 2 262.372 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347184617 218149079 /nfs/dbraw/zinc/14/90/79/218149079.db2.gz YDLJNEUFBQMKDP-KJJZUGDZSA-N 2 2 262.372 3.041 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccsc1 ZINC000276969647 379033354 /nfs/dbraw/zinc/03/33/54/379033354.db2.gz TZGPLHHOENZRLG-GXTWGEPZSA-N 2 2 263.410 3.464 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000277070879 379059894 /nfs/dbraw/zinc/05/98/94/379059894.db2.gz DRCGQPGLBZYBHB-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000277070879 379059903 /nfs/dbraw/zinc/05/99/03/379059903.db2.gz DRCGQPGLBZYBHB-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000277103307 379069360 /nfs/dbraw/zinc/06/93/60/379069360.db2.gz GPNLHTFSARYNCL-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000277103307 379069372 /nfs/dbraw/zinc/06/93/72/379069372.db2.gz GPNLHTFSARYNCL-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000347412057 218225210 /nfs/dbraw/zinc/22/52/10/218225210.db2.gz KJYOFHDHXGJYNX-AWEZNQCLSA-N 2 2 290.455 3.075 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033554 322189246 /nfs/dbraw/zinc/18/92/46/322189246.db2.gz QQIGAKYQYMTSCV-BBRMVZONSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033554 322189247 /nfs/dbraw/zinc/18/92/47/322189247.db2.gz QQIGAKYQYMTSCV-BBRMVZONSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033554 322189248 /nfs/dbraw/zinc/18/92/48/322189248.db2.gz QQIGAKYQYMTSCV-BBRMVZONSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033554 322189249 /nfs/dbraw/zinc/18/92/49/322189249.db2.gz QQIGAKYQYMTSCV-BBRMVZONSA-N 2 2 280.843 3.420 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870312 379092496 /nfs/dbraw/zinc/09/24/96/379092496.db2.gz SDBIWBUVGVVJMU-JPHNIFDFSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870312 379092502 /nfs/dbraw/zinc/09/25/02/379092502.db2.gz SDBIWBUVGVVJMU-JPHNIFDFSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000348870312 379092512 /nfs/dbraw/zinc/09/25/12/379092512.db2.gz SDBIWBUVGVVJMU-JPHNIFDFSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000348870312 379092525 /nfs/dbraw/zinc/09/25/25/379092525.db2.gz SDBIWBUVGVVJMU-JPHNIFDFSA-N 2 2 288.435 3.460 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000639178248 379097379 /nfs/dbraw/zinc/09/73/79/379097379.db2.gz GLKYUSQQGLWUKI-MUJYYYPQSA-N 2 2 288.435 3.222 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000639178248 379097382 /nfs/dbraw/zinc/09/73/82/379097382.db2.gz GLKYUSQQGLWUKI-MUJYYYPQSA-N 2 2 288.435 3.222 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639204881 379134861 /nfs/dbraw/zinc/13/48/61/379134861.db2.gz DRQSCGXLXXZNSG-JLJPHGGASA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H](CF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639204881 379134871 /nfs/dbraw/zinc/13/48/71/379134871.db2.gz DRQSCGXLXXZNSG-JLJPHGGASA-N 2 2 276.399 3.302 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349135803 379166150 /nfs/dbraw/zinc/16/61/50/379166150.db2.gz YUDQAAPEBQNXQE-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349135803 379166156 /nfs/dbraw/zinc/16/61/56/379166156.db2.gz YUDQAAPEBQNXQE-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000347492738 218253771 /nfs/dbraw/zinc/25/37/71/218253771.db2.gz KJDDCLLHDXFURY-IUODEOHRSA-N 2 2 289.810 3.245 20 0 CGADLP CCCc1csc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000494077240 535454343 /nfs/dbraw/zinc/45/43/43/535454343.db2.gz GKEKGCHVBOZYPI-OCCSQVGLSA-N 2 2 281.469 3.058 20 0 CGADLP CCCc1csc(C[N@@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000349351528 379243198 /nfs/dbraw/zinc/24/31/98/379243198.db2.gz QIVFFPHNDHTTTN-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCCC3)C2)CC1 ZINC000373483930 379288455 /nfs/dbraw/zinc/28/84/55/379288455.db2.gz KGYIKHRHFDGOPS-UHFFFAOYSA-N 2 2 290.373 3.324 20 0 CGADLP Cc1cc(C)c(/C=C\C[N@@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000639310616 379261649 /nfs/dbraw/zinc/26/16/49/379261649.db2.gz UPOKUGNZOPSZIW-SREVYHEPSA-N 2 2 272.436 3.118 20 0 CGADLP Cc1cc(C)c(/C=C\C[N@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000639310616 379261665 /nfs/dbraw/zinc/26/16/65/379261665.db2.gz UPOKUGNZOPSZIW-SREVYHEPSA-N 2 2 272.436 3.118 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349424119 379280706 /nfs/dbraw/zinc/28/07/06/379280706.db2.gz ZBKHVRXRRVXUOI-UHFFFAOYSA-N 2 2 288.439 3.253 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349424119 379280713 /nfs/dbraw/zinc/28/07/13/379280713.db2.gz ZBKHVRXRRVXUOI-UHFFFAOYSA-N 2 2 288.439 3.253 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cc2c1C ZINC000349610640 379319082 /nfs/dbraw/zinc/31/90/82/379319082.db2.gz LBFLHYYXSHSSLI-AWEZNQCLSA-N 2 2 283.419 3.111 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)cc2c1C ZINC000349610640 379319093 /nfs/dbraw/zinc/31/90/93/379319093.db2.gz LBFLHYYXSHSSLI-AWEZNQCLSA-N 2 2 283.419 3.111 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccsc2)CC1 ZINC000639374748 379330611 /nfs/dbraw/zinc/33/06/11/379330611.db2.gz KPFVJQMVZZSAIT-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP CCn1c[nH+]cc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000639375537 379330779 /nfs/dbraw/zinc/33/07/79/379330779.db2.gz WYCFWENXDJTRHV-UHFFFAOYSA-N 2 2 279.453 3.012 20 0 CGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639374887 379331207 /nfs/dbraw/zinc/33/12/07/379331207.db2.gz MLRYBXWWSMHRFK-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000639378137 379338216 /nfs/dbraw/zinc/33/82/16/379338216.db2.gz BWLMNXOZWGEERQ-UHFFFAOYSA-N 2 2 281.469 3.066 20 0 CGADLP COc1cccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000192685596 542268226 /nfs/dbraw/zinc/26/82/26/542268226.db2.gz BZBVMASHGTYCBG-HNNXBMFYSA-N 2 2 296.430 3.290 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000639514597 379445651 /nfs/dbraw/zinc/44/56/51/379445651.db2.gz FQGMIVSOBMAGHX-DOTOQJQBSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000639514597 379445654 /nfs/dbraw/zinc/44/56/54/379445654.db2.gz FQGMIVSOBMAGHX-DOTOQJQBSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1ccccc1C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347669179 218314572 /nfs/dbraw/zinc/31/45/72/218314572.db2.gz JCCBPDYUHZHFPB-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1ccccc1C[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347669179 218314575 /nfs/dbraw/zinc/31/45/75/218314575.db2.gz JCCBPDYUHZHFPB-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP CC(C)(C)c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)no1 ZINC000377877674 379754863 /nfs/dbraw/zinc/75/48/63/379754863.db2.gz FJHFFJOBRRNORE-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP CC1(C)CCC(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377717095 379730144 /nfs/dbraw/zinc/73/01/44/379730144.db2.gz DGPZMPMXEMDPSA-ZDUSSCGKSA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377717095 379730149 /nfs/dbraw/zinc/73/01/49/379730149.db2.gz DGPZMPMXEMDPSA-ZDUSSCGKSA-N 2 2 261.413 3.073 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347722981 218334665 /nfs/dbraw/zinc/33/46/65/218334665.db2.gz CLCRNMYXASWFPS-SFHVURJKSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347722981 218334668 /nfs/dbraw/zinc/33/46/68/218334668.db2.gz CLCRNMYXASWFPS-SFHVURJKSA-N 2 2 299.418 3.198 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377784725 379740792 /nfs/dbraw/zinc/74/07/92/379740792.db2.gz PSVCEPJJYFFNBV-OAHLLOKOSA-N 2 2 299.418 3.236 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377784725 379740796 /nfs/dbraw/zinc/74/07/96/379740796.db2.gz PSVCEPJJYFFNBV-OAHLLOKOSA-N 2 2 299.418 3.236 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)CCC2 ZINC000377836404 379747639 /nfs/dbraw/zinc/74/76/39/379747639.db2.gz AHPYQVBNQAAPEU-QGZVFWFLSA-N 2 2 283.419 3.476 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000352557104 379857107 /nfs/dbraw/zinc/85/71/07/379857107.db2.gz JNJAPLWLCRELNA-MRXNPFEDSA-N 2 2 291.414 3.136 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000399021370 379932106 /nfs/dbraw/zinc/93/21/06/379932106.db2.gz HJNVRMQRDCIGNY-UHIISALHSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000399046953 379935226 /nfs/dbraw/zinc/93/52/26/379935226.db2.gz VAHYMSXYTPWOMK-GRYCIOLGSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)s1 ZINC000399084240 379935420 /nfs/dbraw/zinc/93/54/20/379935420.db2.gz TWMWMMHLYRMACQ-SUZMYJTESA-N 2 2 252.427 3.156 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C(C)(C)C)CC2)s1 ZINC000347873759 218385465 /nfs/dbraw/zinc/38/54/65/218385465.db2.gz VGNCPYVHBLWELE-UHFFFAOYSA-N 2 2 295.496 3.463 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352852491 380006102 /nfs/dbraw/zinc/00/61/02/380006102.db2.gz KJIAFJNMAQCRJR-UHFFFAOYSA-N 2 2 292.370 3.341 20 0 CGADLP Fc1ccc(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352853607 380006341 /nfs/dbraw/zinc/00/63/41/380006341.db2.gz OWOCHTMDZKTZJE-UPHRSURJSA-N 2 2 285.366 3.442 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000352903495 380028798 /nfs/dbraw/zinc/02/87/98/380028798.db2.gz VDJUUDHVPVINNB-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000352903495 380028805 /nfs/dbraw/zinc/02/88/05/380028805.db2.gz VDJUUDHVPVINNB-ZLIFDBKOSA-N 2 2 276.399 3.349 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CCOC)c2ccc(C)o2)CC1 ZINC000352964503 380058638 /nfs/dbraw/zinc/05/86/38/380058638.db2.gz BSVVBNUNADELJV-MRXNPFEDSA-N 2 2 294.439 3.130 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352934991 380048244 /nfs/dbraw/zinc/04/82/44/380048244.db2.gz XKDYYIAQNJMPRU-YOEHRIQHSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352934991 380048248 /nfs/dbraw/zinc/04/82/48/380048248.db2.gz XKDYYIAQNJMPRU-YOEHRIQHSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352934991 380048254 /nfs/dbraw/zinc/04/82/54/380048254.db2.gz XKDYYIAQNJMPRU-YOEHRIQHSA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352934991 380048256 /nfs/dbraw/zinc/04/82/56/380048256.db2.gz XKDYYIAQNJMPRU-YOEHRIQHSA-N 2 2 284.403 3.267 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nsc2c1 ZINC000641792178 380103946 /nfs/dbraw/zinc/10/39/46/380103946.db2.gz PTSXHITYNMTWCE-OLZOCXBDSA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nsc2c1 ZINC000641792178 380103948 /nfs/dbraw/zinc/10/39/48/380103948.db2.gz PTSXHITYNMTWCE-OLZOCXBDSA-N 2 2 287.432 3.013 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)no1 ZINC000283933818 380106685 /nfs/dbraw/zinc/10/66/85/380106685.db2.gz FCXALPAVKSXBPQ-OAHLLOKOSA-N 2 2 299.418 3.430 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(C(F)(F)F)CCC3)n2c1 ZINC000353087655 380109277 /nfs/dbraw/zinc/10/92/77/380109277.db2.gz OVNPNBRURVNVSO-UHFFFAOYSA-N 2 2 297.324 3.465 20 0 CGADLP CCC[N@H+](Cc1nsc2ccccc21)C1CC[NH2+]CC1 ZINC000641799337 380111832 /nfs/dbraw/zinc/11/18/32/380111832.db2.gz UYYUUAMOVFTRQG-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP CCC[N@@H+](Cc1nsc2ccccc21)C1CC[NH2+]CC1 ZINC000641799337 380111833 /nfs/dbraw/zinc/11/18/33/380111833.db2.gz UYYUUAMOVFTRQG-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000284055307 380119692 /nfs/dbraw/zinc/11/96/92/380119692.db2.gz KLZMMNRLVQCCEB-HNNXBMFYSA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)no1 ZINC000284055307 380119698 /nfs/dbraw/zinc/11/96/98/380119698.db2.gz KLZMMNRLVQCCEB-HNNXBMFYSA-N 2 2 299.418 3.082 20 0 CGADLP CC(C)C[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353113812 380119702 /nfs/dbraw/zinc/11/97/02/380119702.db2.gz AOAZMIUOTLUIPV-ZDUSSCGKSA-N 2 2 258.369 3.173 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)no1 ZINC000353250265 380188773 /nfs/dbraw/zinc/18/87/73/380188773.db2.gz FMGVUTVZNWXDMF-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353268139 380199266 /nfs/dbraw/zinc/19/92/66/380199266.db2.gz FGFHYUDNNBWKHW-GFCCVEGCSA-N 2 2 262.388 3.132 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000353970167 380256852 /nfs/dbraw/zinc/25/68/52/380256852.db2.gz CETRFDQZACBRMW-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000353970167 380256856 /nfs/dbraw/zinc/25/68/56/380256856.db2.gz CETRFDQZACBRMW-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000643499659 380320354 /nfs/dbraw/zinc/32/03/54/380320354.db2.gz CSVCNBSEPLKLQR-YOEHRIQHSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2c(s1)CCC2 ZINC000643502138 380324742 /nfs/dbraw/zinc/32/47/42/380324742.db2.gz YBFRGYXECZHFDA-YPMHNXCESA-N 2 2 264.438 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc(C)c1F ZINC000643502118 380324870 /nfs/dbraw/zinc/32/48/70/380324870.db2.gz XOUQNORKXRSUAE-ZFWWWQNUSA-N 2 2 264.388 3.235 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643506939 380328222 /nfs/dbraw/zinc/32/82/22/380328222.db2.gz NBENIJZQEQVHTG-KRWDZBQOSA-N 2 2 276.399 3.399 20 0 CGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000643513071 380333089 /nfs/dbraw/zinc/33/30/89/380333089.db2.gz QEECIDLDMCJQBZ-QGZVFWFLSA-N 2 2 287.451 3.361 20 0 CGADLP CC[C@H]([NH2+]C[C@H](OC)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000643467414 380313297 /nfs/dbraw/zinc/31/32/97/380313297.db2.gz BENQFSIODFNXOO-JYJNAYRXSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000414682822 380371553 /nfs/dbraw/zinc/37/15/53/380371553.db2.gz YZKYHUWORNDPOR-JKSUJKDBSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000414682822 380371559 /nfs/dbraw/zinc/37/15/59/380371559.db2.gz YZKYHUWORNDPOR-JKSUJKDBSA-N 2 2 264.388 3.336 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCCC[NH+]2CCCC2)c[nH+]1 ZINC000354241309 380372982 /nfs/dbraw/zinc/37/29/82/380372982.db2.gz WCHAMMNXFCDQNI-UHFFFAOYSA-N 3 2 289.467 3.178 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414688748 380374289 /nfs/dbraw/zinc/37/42/89/380374289.db2.gz DTEBCALGNZAXGQ-OCCSQVGLSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)CCC2 ZINC000414688748 380374291 /nfs/dbraw/zinc/37/42/91/380374291.db2.gz DTEBCALGNZAXGQ-OCCSQVGLSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279077322 194274539 /nfs/dbraw/zinc/27/45/39/194274539.db2.gz GSTKQDDNMGWWKX-UHFFFAOYSA-N 2 2 289.448 3.476 20 0 CGADLP C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703254 380381595 /nfs/dbraw/zinc/38/15/95/380381595.db2.gz JKKPOYRREGFXEO-ZFWWWQNUSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703254 380381599 /nfs/dbraw/zinc/38/15/99/380381599.db2.gz JKKPOYRREGFXEO-ZFWWWQNUSA-N 2 2 282.378 3.142 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770506 380397211 /nfs/dbraw/zinc/39/72/11/380397211.db2.gz YDKXDFKIZKHELA-QWHCGFSZSA-N 2 2 292.389 3.414 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000414770506 380397216 /nfs/dbraw/zinc/39/72/16/380397216.db2.gz YDKXDFKIZKHELA-QWHCGFSZSA-N 2 2 292.389 3.414 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)c(F)c1 ZINC000643525234 380340961 /nfs/dbraw/zinc/34/09/61/380340961.db2.gz LEMRSKQKDSHJGK-BHDSKKPTSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000643527165 380343401 /nfs/dbraw/zinc/34/34/01/380343401.db2.gz KGGAKEMTLIHXSS-WBMJQRKESA-N 2 2 274.795 3.366 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000354166138 380351127 /nfs/dbraw/zinc/35/11/27/380351127.db2.gz TTWNPJSFJJCLCV-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537327 380353860 /nfs/dbraw/zinc/35/38/60/380353860.db2.gz FEJNDDPBCOLHOW-AGIUHOORSA-N 2 2 290.382 3.346 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414817765 380428320 /nfs/dbraw/zinc/42/83/20/380428320.db2.gz SZUNHVIUCAXZAM-GFCCVEGCSA-N 2 2 292.320 3.452 20 0 CGADLP CCn1c2ccccc2c2cc(C[NH2+]CC[NH2+]C)ccc21 ZINC000414820191 380432450 /nfs/dbraw/zinc/43/24/50/380432450.db2.gz JBURNHOVUBNFSG-UHFFFAOYSA-N 2 2 281.403 3.123 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OCC1CC1)c1ccccc1 ZINC000414825144 380434000 /nfs/dbraw/zinc/43/40/00/380434000.db2.gz BTOPERNIBOOPOU-SFHVURJKSA-N 2 2 296.414 3.265 20 0 CGADLP C[C@H](CC[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414824079 380434557 /nfs/dbraw/zinc/43/45/57/380434557.db2.gz AABOYJVRJOPLGZ-CRAIPNDOSA-N 2 2 268.404 3.470 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC000414825971 380436385 /nfs/dbraw/zinc/43/63/85/380436385.db2.gz DKSVWNXFTOBVBE-WQANXHIZSA-N 2 2 280.415 3.468 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000644545730 380443326 /nfs/dbraw/zinc/44/33/26/380443326.db2.gz UAWRIPSIYFTASP-OAHLLOKOSA-N 2 2 290.451 3.011 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cncc(F)c2)cc1 ZINC000414840155 380448054 /nfs/dbraw/zinc/44/80/54/380448054.db2.gz GRTWTMDCYZEJSS-KRWDZBQOSA-N 2 2 287.382 3.134 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c[nH+]1 ZINC000354333788 380403161 /nfs/dbraw/zinc/40/31/61/380403161.db2.gz KEIPTBGOVWXPJB-QGZVFWFLSA-N 3 2 291.483 3.279 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414852705 380456142 /nfs/dbraw/zinc/45/61/42/380456142.db2.gz RHCLRFYXLSFHPI-NSHDSACASA-N 2 2 292.320 3.308 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000414804565 380416622 /nfs/dbraw/zinc/41/66/22/380416622.db2.gz KXNCRABXFKAANS-LBPRGKRZSA-N 2 2 292.732 3.186 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414930627 380493467 /nfs/dbraw/zinc/49/34/67/380493467.db2.gz PAXJRPHQUSTKPT-YGRLFVJLSA-N 2 2 286.341 3.101 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414933223 380495599 /nfs/dbraw/zinc/49/55/99/380495599.db2.gz UDHAUQWBDOBJHW-NADMHLTPSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000414947587 380501594 /nfs/dbraw/zinc/50/15/94/380501594.db2.gz KWJZPYAGQYRVCN-SKDRFNHKSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)c2ccccn2)c[nH+]1 ZINC000354646172 380513091 /nfs/dbraw/zinc/51/30/91/380513091.db2.gz HYFWIHGRGKEFJD-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H](C)c2ccccn2)c[nH+]1 ZINC000354646172 380513093 /nfs/dbraw/zinc/51/30/93/380513093.db2.gz HYFWIHGRGKEFJD-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Clc1scc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1Cl ZINC000414860808 380461614 /nfs/dbraw/zinc/46/16/14/380461614.db2.gz VUVUXSHOYSCUNX-MRVPVSSYSA-N 2 2 279.236 3.144 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)s2)c1 ZINC000414862232 380463357 /nfs/dbraw/zinc/46/33/57/380463357.db2.gz GZSBGHCTKHZCPK-AWEZNQCLSA-N 2 2 290.407 3.396 20 0 CGADLP CCOCCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354517032 380466050 /nfs/dbraw/zinc/46/60/50/380466050.db2.gz WLNZPSFHWRKAOE-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000354721373 380537757 /nfs/dbraw/zinc/53/77/57/380537757.db2.gz FCQSFRLLXCYVQU-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000354721373 380537764 /nfs/dbraw/zinc/53/77/64/380537764.db2.gz FCQSFRLLXCYVQU-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCOC(C)(C)C ZINC000354854376 380561212 /nfs/dbraw/zinc/56/12/12/380561212.db2.gz HSBRAYWEJYZQPN-CVEARBPZSA-N 2 2 282.472 3.140 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCOC(C)(C)C ZINC000354854376 380561217 /nfs/dbraw/zinc/56/12/17/380561217.db2.gz HSBRAYWEJYZQPN-CVEARBPZSA-N 2 2 282.472 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCOC(C)(C)C ZINC000354854376 380561222 /nfs/dbraw/zinc/56/12/22/380561222.db2.gz HSBRAYWEJYZQPN-CVEARBPZSA-N 2 2 282.472 3.140 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCOC(C)(C)C ZINC000354854376 380561226 /nfs/dbraw/zinc/56/12/26/380561226.db2.gz HSBRAYWEJYZQPN-CVEARBPZSA-N 2 2 282.472 3.140 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000417314107 380590813 /nfs/dbraw/zinc/59/08/13/380590813.db2.gz QPOHWBYOQMHBSQ-NZBPQXDJSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000417314107 380590820 /nfs/dbraw/zinc/59/08/20/380590820.db2.gz QPOHWBYOQMHBSQ-NZBPQXDJSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353018 380603453 /nfs/dbraw/zinc/60/34/53/380603453.db2.gz HTILVQKNMMXKCT-CYBMUJFWSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352611 380603525 /nfs/dbraw/zinc/60/35/25/380603525.db2.gz VMOYBUGFLGEZTK-QNWHQSFQSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352611 380603532 /nfs/dbraw/zinc/60/35/32/380603532.db2.gz VMOYBUGFLGEZTK-QNWHQSFQSA-N 2 2 287.432 3.110 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000417357282 380605389 /nfs/dbraw/zinc/60/53/89/380605389.db2.gz RBJQHQVXHYFRMR-HNNXBMFYSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@@H]1[C@H](C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000418120002 380703910 /nfs/dbraw/zinc/70/39/10/380703910.db2.gz HHVLRWWOZMSHMS-UPJWGTAASA-N 2 2 275.421 3.410 20 0 CGADLP C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000418120002 380703914 /nfs/dbraw/zinc/70/39/14/380703914.db2.gz HHVLRWWOZMSHMS-UPJWGTAASA-N 2 2 275.421 3.410 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000355760693 380769941 /nfs/dbraw/zinc/76/99/41/380769941.db2.gz XTDAIMZMEVUDAI-QLFBSQMISA-N 2 2 282.472 3.185 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000355760693 380769944 /nfs/dbraw/zinc/76/99/44/380769944.db2.gz XTDAIMZMEVUDAI-QLFBSQMISA-N 2 2 282.472 3.185 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@@H]1c1ccccc1 ZINC000645898335 380766173 /nfs/dbraw/zinc/76/61/73/380766173.db2.gz KSGAEBOTRAZMJT-IRXDYDNUSA-N 2 2 256.393 3.132 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@@H]1c1ccccc1 ZINC000645898335 380766177 /nfs/dbraw/zinc/76/61/77/380766177.db2.gz KSGAEBOTRAZMJT-IRXDYDNUSA-N 2 2 256.393 3.132 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC[C@@H](C)C3)n2c1 ZINC000355592729 380721019 /nfs/dbraw/zinc/72/10/19/380721019.db2.gz BJVJQRAANSWOHR-TZMCWYRMSA-N 2 2 257.381 3.169 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC000355594650 380723181 /nfs/dbraw/zinc/72/31/81/380723181.db2.gz AJDMVEXVNJTHGK-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC000355594650 380723184 /nfs/dbraw/zinc/72/31/84/380723184.db2.gz AJDMVEXVNJTHGK-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CN(CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000645793659 380734812 /nfs/dbraw/zinc/73/48/12/380734812.db2.gz DVKLRMCLYTYZCW-GOSISDBHSA-N 2 2 298.434 3.047 20 0 CGADLP CN(CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000645793659 380734818 /nfs/dbraw/zinc/73/48/18/380734818.db2.gz DVKLRMCLYTYZCW-GOSISDBHSA-N 2 2 298.434 3.047 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645978239 380789298 /nfs/dbraw/zinc/78/92/98/380789298.db2.gz ZBMWHXZQLACKIW-ZDUSSCGKSA-N 2 2 278.827 3.403 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645978239 380789299 /nfs/dbraw/zinc/78/92/99/380789299.db2.gz ZBMWHXZQLACKIW-ZDUSSCGKSA-N 2 2 278.827 3.403 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356794793 380876130 /nfs/dbraw/zinc/87/61/30/380876130.db2.gz OWVXUVXXAPYAPD-KGLIPLIRSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356794793 380876141 /nfs/dbraw/zinc/87/61/41/380876141.db2.gz OWVXUVXXAPYAPD-KGLIPLIRSA-N 2 2 290.455 3.252 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118106 380843026 /nfs/dbraw/zinc/84/30/26/380843026.db2.gz DLODDRSJOUSOGJ-SFHVURJKSA-N 2 2 293.414 3.356 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118106 380843028 /nfs/dbraw/zinc/84/30/28/380843028.db2.gz DLODDRSJOUSOGJ-SFHVURJKSA-N 2 2 293.414 3.356 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339150 380881969 /nfs/dbraw/zinc/88/19/69/380881969.db2.gz FPWZFANYDVUXFX-FZKQIMNGSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339150 380881976 /nfs/dbraw/zinc/88/19/76/380881976.db2.gz FPWZFANYDVUXFX-FZKQIMNGSA-N 2 2 270.420 3.136 20 0 CGADLP CCC1([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000356829632 380888547 /nfs/dbraw/zinc/88/85/47/380888547.db2.gz ADUTZKASOXERLW-UHFFFAOYSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000356891434 380923432 /nfs/dbraw/zinc/92/34/32/380923432.db2.gz GUGLARDUXOIBGN-GFCCVEGCSA-N 2 2 276.346 3.102 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000334787818 207076911 /nfs/dbraw/zinc/07/69/11/207076911.db2.gz YGOKNNRBKRZZSV-FZMZJTMJSA-N 2 2 276.355 3.144 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)CC[N@H+]1C ZINC000334787818 207076916 /nfs/dbraw/zinc/07/69/16/207076916.db2.gz YGOKNNRBKRZZSV-FZMZJTMJSA-N 2 2 276.355 3.144 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000360574358 381581774 /nfs/dbraw/zinc/58/17/74/381581774.db2.gz LAPLPOOEMGMSLB-INIZCTEOSA-N 2 2 287.407 3.023 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000360498980 381561772 /nfs/dbraw/zinc/56/17/72/381561772.db2.gz DJLKGHFEJPOJSA-CQSZACIVSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141478 381656451 /nfs/dbraw/zinc/65/64/51/381656451.db2.gz OHENPLXTQQHUPY-WCQYABFASA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141478 381656458 /nfs/dbraw/zinc/65/64/58/381656458.db2.gz OHENPLXTQQHUPY-WCQYABFASA-N 2 2 297.324 3.497 20 0 CGADLP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000334881831 207237379 /nfs/dbraw/zinc/23/73/79/207237379.db2.gz MURGWACRMZQKQZ-FOSCPWQOSA-N 2 2 285.218 3.366 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361407868 381735269 /nfs/dbraw/zinc/73/52/69/381735269.db2.gz IAVGSNULLYCNBE-GOSISDBHSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361407868 381735274 /nfs/dbraw/zinc/73/52/74/381735274.db2.gz IAVGSNULLYCNBE-GOSISDBHSA-N 2 2 299.418 3.180 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000361432168 381743514 /nfs/dbraw/zinc/74/35/14/381743514.db2.gz JLXZIADVSHDLSA-CYBMUJFWSA-N 2 2 290.373 3.326 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226824609 542291540 /nfs/dbraw/zinc/29/15/40/542291540.db2.gz SQNSYQBECAWLOQ-HOTGVXAUSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226824609 542291541 /nfs/dbraw/zinc/29/15/41/542291541.db2.gz SQNSYQBECAWLOQ-HOTGVXAUSA-N 2 2 287.451 3.490 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000362510410 382027237 /nfs/dbraw/zinc/02/72/37/382027237.db2.gz KZQHFLNQFVWHIK-IAQYHMDHSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000362510410 382027239 /nfs/dbraw/zinc/02/72/39/382027239.db2.gz KZQHFLNQFVWHIK-IAQYHMDHSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510410 382027244 /nfs/dbraw/zinc/02/72/44/382027244.db2.gz KZQHFLNQFVWHIK-IAQYHMDHSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510410 382027246 /nfs/dbraw/zinc/02/72/46/382027246.db2.gz KZQHFLNQFVWHIK-IAQYHMDHSA-N 2 2 284.806 3.394 20 0 CGADLP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229367212 542300383 /nfs/dbraw/zinc/30/03/83/542300383.db2.gz BPQUGTJQQARQNZ-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229367212 542300385 /nfs/dbraw/zinc/30/03/85/542300385.db2.gz BPQUGTJQQARQNZ-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235205838 542311738 /nfs/dbraw/zinc/31/17/38/542311738.db2.gz NAQAOCLRWMLALC-BXUZGUMPSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000367755693 382357272 /nfs/dbraw/zinc/35/72/72/382357272.db2.gz QKWBQDGTNULZKM-HNNXBMFYSA-N 2 2 296.418 3.105 20 0 CGADLP CCc1nc(N2CCC(c3ccc(C)[nH+]c3)CC2)cc(C)[nH+]1 ZINC000367833410 382358084 /nfs/dbraw/zinc/35/80/84/382358084.db2.gz CDALLPSHYYZTKI-UHFFFAOYSA-N 2 2 296.418 3.435 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247127002 542330052 /nfs/dbraw/zinc/33/00/52/542330052.db2.gz RLCCBQUTTIEMGM-RISCZKNCSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000247127002 542330056 /nfs/dbraw/zinc/33/00/56/542330056.db2.gz RLCCBQUTTIEMGM-RISCZKNCSA-N 2 2 280.412 3.046 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000251940500 542348592 /nfs/dbraw/zinc/34/85/92/542348592.db2.gz WACHEPLWQAISLM-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000251940500 542348594 /nfs/dbraw/zinc/34/85/94/542348594.db2.gz WACHEPLWQAISLM-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000252979428 542351587 /nfs/dbraw/zinc/35/15/87/542351587.db2.gz HWNOHYHQYSXEBB-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000252979428 542351592 /nfs/dbraw/zinc/35/15/92/542351592.db2.gz HWNOHYHQYSXEBB-IINYFYTJSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])on2)cc1 ZINC000261953427 542355657 /nfs/dbraw/zinc/35/56/57/542355657.db2.gz NLFAZHAIUBEBBA-KSSFIOAISA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])on2)cc1 ZINC000261953427 542355659 /nfs/dbraw/zinc/35/56/59/542355659.db2.gz NLFAZHAIUBEBBA-KSSFIOAISA-N 2 2 299.418 3.209 20 0 CGADLP C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280850471 195000028 /nfs/dbraw/zinc/00/00/28/195000028.db2.gz BMGGJFCYSGWOOL-YOEHRIQHSA-N 2 2 299.418 3.074 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000423563166 533001347 /nfs/dbraw/zinc/00/13/47/533001347.db2.gz QWGILMGXSMUQTM-DGCLKSJQSA-N 2 2 282.428 3.340 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423356040 533005424 /nfs/dbraw/zinc/00/54/24/533005424.db2.gz GKMFPPQCESPHAM-TYNCELHUSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000335301545 208141469 /nfs/dbraw/zinc/14/14/69/208141469.db2.gz OLVFPXWLNQOOAL-GWCFXTLKSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000335301545 208141472 /nfs/dbraw/zinc/14/14/72/208141472.db2.gz OLVFPXWLNQOOAL-GWCFXTLKSA-N 2 2 275.783 3.271 20 0 CGADLP CC[N@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345185250 285095711 /nfs/dbraw/zinc/09/57/11/285095711.db2.gz ZELJQRLZVYWPDU-CQSZACIVSA-N 2 2 284.806 3.443 20 0 CGADLP CC[N@@H+](Cc1cc(F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345185250 285095712 /nfs/dbraw/zinc/09/57/12/285095712.db2.gz ZELJQRLZVYWPDU-CQSZACIVSA-N 2 2 284.806 3.443 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423550953 533058505 /nfs/dbraw/zinc/05/85/05/533058505.db2.gz IUYCIMQYMFGZFT-CHWSQXEVSA-N 2 2 264.438 3.201 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000353746062 220297121 /nfs/dbraw/zinc/29/71/21/220297121.db2.gz KRGLKJFYEBTAQD-HNNXBMFYSA-N 2 2 257.381 3.201 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2cccc3[nH+]ccn32)CC1(C)C ZINC000353746062 220297123 /nfs/dbraw/zinc/29/71/23/220297123.db2.gz KRGLKJFYEBTAQD-HNNXBMFYSA-N 2 2 257.381 3.201 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000273822472 542370203 /nfs/dbraw/zinc/37/02/03/542370203.db2.gz GBEWYXVVBBIPGS-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000273822472 542370207 /nfs/dbraw/zinc/37/02/07/542370207.db2.gz GBEWYXVVBBIPGS-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000289341336 197303562 /nfs/dbraw/zinc/30/35/62/197303562.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000289341336 197303564 /nfs/dbraw/zinc/30/35/64/197303564.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)CCC[N@@H+]1C ZINC000350396971 219014641 /nfs/dbraw/zinc/01/46/41/219014641.db2.gz YAWSILWJPPXNHB-ZQAVMGHOSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)CCC[N@H+]1C ZINC000350396971 219014644 /nfs/dbraw/zinc/01/46/44/219014644.db2.gz YAWSILWJPPXNHB-ZQAVMGHOSA-N 2 2 280.362 3.050 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000289280765 197283945 /nfs/dbraw/zinc/28/39/45/197283945.db2.gz GATDARFMXFSSDV-ONEGZZNKSA-N 2 2 294.389 3.440 20 0 CGADLP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000287294837 542395890 /nfs/dbraw/zinc/39/58/90/542395890.db2.gz DIIRIBPPNBGLEP-RISCZKNCSA-N 2 2 292.814 3.017 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000337510129 285148893 /nfs/dbraw/zinc/14/88/93/285148893.db2.gz IIUFBXMIHFXFHP-VVLHAWIVSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000337510129 285148895 /nfs/dbraw/zinc/14/88/95/285148895.db2.gz IIUFBXMIHFXFHP-VVLHAWIVSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000289071573 197227024 /nfs/dbraw/zinc/22/70/24/197227024.db2.gz JVCNPXYAFZWDPM-UHFFFAOYSA-N 2 2 290.451 3.460 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337985880 285200862 /nfs/dbraw/zinc/20/08/62/285200862.db2.gz FITDHKCMHKLPNO-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337985880 285200864 /nfs/dbraw/zinc/20/08/64/285200864.db2.gz FITDHKCMHKLPNO-PMPSAXMXSA-N 2 2 250.430 3.029 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000361347135 285219122 /nfs/dbraw/zinc/21/91/22/285219122.db2.gz SJIIZZGZDGEQFS-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000361347135 285219127 /nfs/dbraw/zinc/21/91/27/285219127.db2.gz SJIIZZGZDGEQFS-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000328521861 542444089 /nfs/dbraw/zinc/44/40/89/542444089.db2.gz RVDGLBYYXKRVCJ-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000328521861 542444093 /nfs/dbraw/zinc/44/40/93/542444093.db2.gz RVDGLBYYXKRVCJ-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067637 542485835 /nfs/dbraw/zinc/48/58/35/542485835.db2.gz BPXWXZSSHLZSSI-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067637 542485843 /nfs/dbraw/zinc/48/58/43/542485843.db2.gz BPXWXZSSHLZSSI-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839547 542522921 /nfs/dbraw/zinc/52/29/21/542522921.db2.gz WUICJVPWUOLDBG-CABCVRRESA-N 2 2 270.380 3.173 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000423237865 533336919 /nfs/dbraw/zinc/33/69/19/533336919.db2.gz QGEQIFDQEKTZFF-GUYCJALGSA-N 2 2 284.403 3.251 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[NH2+]3)ccc2c1 ZINC000423237866 533337502 /nfs/dbraw/zinc/33/75/02/533337502.db2.gz QGEQIFDQEKTZFF-SUMWQHHRSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cn1 ZINC000359052044 533330785 /nfs/dbraw/zinc/33/07/85/533330785.db2.gz DSSCXHFLFPSFGB-LRVUVFPRSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCCC1 ZINC000367439912 533466850 /nfs/dbraw/zinc/46/68/50/533466850.db2.gz YFWDJKPWNDQYMS-CYBMUJFWSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286111 533510187 /nfs/dbraw/zinc/51/01/87/533510187.db2.gz ZQAXYNWYYLMNBB-RNCFNFMXSA-N 2 2 278.783 3.474 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-c2ccccc2)o1 ZINC000423282527 533537467 /nfs/dbraw/zinc/53/74/67/533537467.db2.gz VITLYDCREXMASU-IUODEOHRSA-N 2 2 270.376 3.335 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]1 ZINC000423378515 533659207 /nfs/dbraw/zinc/65/92/07/533659207.db2.gz LDYZLBUCGPZGNJ-SKDZVZGDSA-N 2 2 299.393 3.040 20 0 CGADLP C[C@@H]([NH2+]CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896016 130036993 /nfs/dbraw/zinc/03/69/93/130036993.db2.gz BROUAYWCPLEOEI-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@H]([NH2+]CCOC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897625 130037263 /nfs/dbraw/zinc/03/72/63/130037263.db2.gz ZBXZINMXCRIGRX-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000386255609 542603175 /nfs/dbraw/zinc/60/31/75/542603175.db2.gz UCZRKGTUROHDOX-HIFRSBDPSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000386255609 542603180 /nfs/dbraw/zinc/60/31/80/542603180.db2.gz UCZRKGTUROHDOX-HIFRSBDPSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389211390 542607231 /nfs/dbraw/zinc/60/72/31/542607231.db2.gz BUMQFJCAQHAGLG-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389211390 542607233 /nfs/dbraw/zinc/60/72/33/542607233.db2.gz BUMQFJCAQHAGLG-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438224 542609032 /nfs/dbraw/zinc/60/90/32/542609032.db2.gz NAYPYBWHABAWMR-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389438224 542609036 /nfs/dbraw/zinc/60/90/36/542609036.db2.gz NAYPYBWHABAWMR-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389413429 542609214 /nfs/dbraw/zinc/60/92/14/542609214.db2.gz SRKGPWWMXYBPHN-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000389413429 542609217 /nfs/dbraw/zinc/60/92/17/542609217.db2.gz SRKGPWWMXYBPHN-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000390131454 542609710 /nfs/dbraw/zinc/60/97/10/542609710.db2.gz WHEMWANBPNDJJA-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000390131454 542609713 /nfs/dbraw/zinc/60/97/13/542609713.db2.gz WHEMWANBPNDJJA-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000390584332 542610834 /nfs/dbraw/zinc/61/08/34/542610834.db2.gz QGYKKOZJYWSYSQ-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000390584332 542610839 /nfs/dbraw/zinc/61/08/39/542610839.db2.gz QGYKKOZJYWSYSQ-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000390584330 542611268 /nfs/dbraw/zinc/61/12/68/542611268.db2.gz QGYKKOZJYWSYSQ-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000390584330 542611269 /nfs/dbraw/zinc/61/12/69/542611269.db2.gz QGYKKOZJYWSYSQ-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccs2)C1 ZINC000393951082 542613187 /nfs/dbraw/zinc/61/31/87/542613187.db2.gz PPAJMFRSTAKMAA-OLZOCXBDSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccs2)C1 ZINC000393951082 542613190 /nfs/dbraw/zinc/61/31/90/542613190.db2.gz PPAJMFRSTAKMAA-OLZOCXBDSA-N 2 2 252.427 3.273 20 0 CGADLP c1nc(C2CC2)c(C[NH2+]CC[NH2+]C2CCCCCC2)s1 ZINC000414814792 542639683 /nfs/dbraw/zinc/63/96/83/542639683.db2.gz SDCUTNAHJSBRAH-UHFFFAOYSA-N 2 2 293.480 3.423 20 0 CGADLP CC[N@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000054110283 392089002 /nfs/dbraw/zinc/08/90/02/392089002.db2.gz CBALKDCSPFAFPQ-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000054110283 392089007 /nfs/dbraw/zinc/08/90/07/392089007.db2.gz CBALKDCSPFAFPQ-UHFFFAOYSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000282313665 392287355 /nfs/dbraw/zinc/28/73/55/392287355.db2.gz TYIDNERPDSDESV-YCPHGPKFSA-N 2 2 259.397 3.052 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000361691633 392296343 /nfs/dbraw/zinc/29/63/43/392296343.db2.gz FTBMHLIXJICPND-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000361691633 392296347 /nfs/dbraw/zinc/29/63/47/392296347.db2.gz FTBMHLIXJICPND-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000361851153 392345855 /nfs/dbraw/zinc/34/58/55/392345855.db2.gz URHMUVZVPROQLG-JYJNAYRXSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000361851153 392345857 /nfs/dbraw/zinc/34/58/57/392345857.db2.gz URHMUVZVPROQLG-JYJNAYRXSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000362030236 392391637 /nfs/dbraw/zinc/39/16/37/392391637.db2.gz WRYDCAQKRMAZGA-MSOLQXFVSA-N 2 2 299.418 3.171 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367065161 392465880 /nfs/dbraw/zinc/46/58/80/392465880.db2.gz HCQPMQGJCJQCKR-GDBMZVCRSA-N 2 2 275.440 3.038 20 0 CGADLP CCCC[N@H+](C)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000131175950 392456987 /nfs/dbraw/zinc/45/69/87/392456987.db2.gz XEOXXAPEVMHJGF-UHFFFAOYSA-N 2 2 272.396 3.269 20 0 CGADLP CCCC[N@@H+](C)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000131175950 392456995 /nfs/dbraw/zinc/45/69/95/392456995.db2.gz XEOXXAPEVMHJGF-UHFFFAOYSA-N 2 2 272.396 3.269 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1C ZINC000131689114 392458821 /nfs/dbraw/zinc/45/88/21/392458821.db2.gz JYKKANPTRGBRBV-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1C ZINC000131689114 392458829 /nfs/dbraw/zinc/45/88/29/392458829.db2.gz JYKKANPTRGBRBV-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151671936 392486718 /nfs/dbraw/zinc/48/67/18/392486718.db2.gz BKGGOUQDPOPSRY-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103238 392487099 /nfs/dbraw/zinc/48/70/99/392487099.db2.gz UGWICGXYTAKOBC-CVEARBPZSA-N 2 2 283.419 3.186 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368103238 392487100 /nfs/dbraw/zinc/48/71/00/392487100.db2.gz UGWICGXYTAKOBC-CVEARBPZSA-N 2 2 283.419 3.186 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295892092 392551792 /nfs/dbraw/zinc/55/17/92/392551792.db2.gz IGNZNMDGPHHPNP-GXTWGEPZSA-N 2 2 293.842 3.186 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295892092 392551793 /nfs/dbraw/zinc/55/17/93/392551793.db2.gz IGNZNMDGPHHPNP-GXTWGEPZSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000158780033 392576237 /nfs/dbraw/zinc/57/62/37/392576237.db2.gz MJVKQTDUILOFEO-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000327836982 392674907 /nfs/dbraw/zinc/67/49/07/392674907.db2.gz CORJTYHNENPTOC-MRXNPFEDSA-N 2 2 289.448 3.220 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@@H+]1C ZINC000647333144 392680154 /nfs/dbraw/zinc/68/01/54/392680154.db2.gz MXXFOQJENQBOGB-KBPBESRZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000647333144 392680158 /nfs/dbraw/zinc/68/01/58/392680158.db2.gz MXXFOQJENQBOGB-KBPBESRZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000177179630 392659481 /nfs/dbraw/zinc/65/94/81/392659481.db2.gz AICDTWDLDNJRRJ-GXTWGEPZSA-N 2 2 264.438 3.273 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000373533058 392661819 /nfs/dbraw/zinc/66/18/19/392661819.db2.gz VYMQGQJZAQPRMX-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000373533058 392661833 /nfs/dbraw/zinc/66/18/33/392661833.db2.gz VYMQGQJZAQPRMX-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553755 392767176 /nfs/dbraw/zinc/76/71/76/392767176.db2.gz IUBMLUQGZROTNI-INIZCTEOSA-N 2 2 258.409 3.068 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000647531205 392751467 /nfs/dbraw/zinc/75/14/67/392751467.db2.gz HAMZPSYVYMZONU-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)c(Br)c1 ZINC000647531249 392752357 /nfs/dbraw/zinc/75/23/57/392752357.db2.gz JOYIFAPLKVXMAT-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554217 392769332 /nfs/dbraw/zinc/76/93/32/392769332.db2.gz UHVYTXVBVHJPCR-AWEZNQCLSA-N 2 2 298.352 3.470 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554378 392769535 /nfs/dbraw/zinc/76/95/35/392769535.db2.gz YEQMFOWTLPCPFD-NSHDSACASA-N 2 2 270.829 3.166 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000647549409 392762229 /nfs/dbraw/zinc/76/22/29/392762229.db2.gz YGOTVYOIEFCKDC-YDHLFZDLSA-N 2 2 278.465 3.447 20 0 CGADLP c1[nH+]cn2c1C[N@H+](CCc1ccc3ccccc3c1)CC2 ZINC000647939710 392839484 /nfs/dbraw/zinc/83/94/84/392839484.db2.gz YCMDRLZPURKRGI-UHFFFAOYSA-N 2 2 277.371 3.095 20 0 CGADLP c1[nH+]cn2c1C[N@@H+](CCc1ccc3ccccc3c1)CC2 ZINC000647939710 392839489 /nfs/dbraw/zinc/83/94/89/392839489.db2.gz YCMDRLZPURKRGI-UHFFFAOYSA-N 2 2 277.371 3.095 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924741 392834013 /nfs/dbraw/zinc/83/40/13/392834013.db2.gz HBELMBAFLCAJIC-LLVKDONJSA-N 2 2 297.240 3.323 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000337999953 392895630 /nfs/dbraw/zinc/89/56/30/392895630.db2.gz PDXXLDVJOJQCGE-STQMWFEESA-N 2 2 294.389 3.112 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000337999953 392895638 /nfs/dbraw/zinc/89/56/38/392895638.db2.gz PDXXLDVJOJQCGE-STQMWFEESA-N 2 2 294.389 3.112 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381508892 392909264 /nfs/dbraw/zinc/90/92/64/392909264.db2.gz KMJDLUNXODIBSL-LMCYLSQRSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381508892 392909269 /nfs/dbraw/zinc/90/92/69/392909269.db2.gz KMJDLUNXODIBSL-LMCYLSQRSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000340192169 392965460 /nfs/dbraw/zinc/96/54/60/392965460.db2.gz YTSSGUGOGAUEHY-LSDHHAIUSA-N 2 2 287.432 3.068 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000340192169 392965465 /nfs/dbraw/zinc/96/54/65/392965465.db2.gz YTSSGUGOGAUEHY-LSDHHAIUSA-N 2 2 287.432 3.068 20 0 CGADLP CC[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884841 392994465 /nfs/dbraw/zinc/99/44/65/392994465.db2.gz DMLKQDZAHTUYOE-FUHWJXTLSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884841 392994474 /nfs/dbraw/zinc/99/44/74/392994474.db2.gz DMLKQDZAHTUYOE-FUHWJXTLSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341884841 392994481 /nfs/dbraw/zinc/99/44/81/392994481.db2.gz DMLKQDZAHTUYOE-FUHWJXTLSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341884841 392994489 /nfs/dbraw/zinc/99/44/89/392994489.db2.gz DMLKQDZAHTUYOE-FUHWJXTLSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000648437499 393015540 /nfs/dbraw/zinc/01/55/40/393015540.db2.gz YCNMXDZNWHBGSR-KBPBESRZSA-N 2 2 287.407 3.043 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000467420600 393098668 /nfs/dbraw/zinc/09/86/68/393098668.db2.gz UTWAWZHBXNKNRM-FPXQBCRKSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000467420600 393098673 /nfs/dbraw/zinc/09/86/73/393098673.db2.gz UTWAWZHBXNKNRM-FPXQBCRKSA-N 2 2 284.447 3.313 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000467440891 393100301 /nfs/dbraw/zinc/10/03/01/393100301.db2.gz YTEMCAFJHYPYHB-LALPHHSUSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000467440891 393100304 /nfs/dbraw/zinc/10/03/04/393100304.db2.gz YTEMCAFJHYPYHB-LALPHHSUSA-N 2 2 264.438 3.009 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000249366878 393103790 /nfs/dbraw/zinc/10/37/90/393103790.db2.gz MODAYSVFLKEXHH-HZPDHXFCSA-N 2 2 282.497 3.222 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000249366878 393103796 /nfs/dbraw/zinc/10/37/96/393103796.db2.gz MODAYSVFLKEXHH-HZPDHXFCSA-N 2 2 282.497 3.222 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H]1CC=CCC1)CCC2 ZINC000344506970 393044590 /nfs/dbraw/zinc/04/45/90/393044590.db2.gz BQZSDLTZKSWJFR-CABCVRRESA-N 2 2 259.397 3.015 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573715 393057237 /nfs/dbraw/zinc/05/72/37/393057237.db2.gz TVMMNNDIKZJTQL-MRXNPFEDSA-N 2 2 288.435 3.388 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573715 393057246 /nfs/dbraw/zinc/05/72/46/393057246.db2.gz TVMMNNDIKZJTQL-MRXNPFEDSA-N 2 2 288.435 3.388 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952598 393061300 /nfs/dbraw/zinc/06/13/00/393061300.db2.gz KQQDFNCIXHFCTF-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414963003 393069725 /nfs/dbraw/zinc/06/97/25/393069725.db2.gz XBOHPHMDSYZUES-ZANVPECISA-N 2 2 273.207 3.224 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)co2)cc1 ZINC000414981492 393077525 /nfs/dbraw/zinc/07/75/25/393077525.db2.gz XSMIWEOWZOJKDS-INIZCTEOSA-N 2 2 299.418 3.128 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000346190108 393078533 /nfs/dbraw/zinc/07/85/33/393078533.db2.gz VSYXMACVXPVQPE-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000346190108 393078540 /nfs/dbraw/zinc/07/85/40/393078540.db2.gz VSYXMACVXPVQPE-UHFFFAOYSA-N 2 2 287.388 3.467 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871542 393080488 /nfs/dbraw/zinc/08/04/88/393080488.db2.gz OHYYMLWBBJZQHD-LBTNJELSSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871542 393080494 /nfs/dbraw/zinc/08/04/94/393080494.db2.gz OHYYMLWBBJZQHD-LBTNJELSSA-N 2 2 272.436 3.166 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000415049555 393113325 /nfs/dbraw/zinc/11/33/25/393113325.db2.gz HPLSRUUBKMRQOY-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056183 393116799 /nfs/dbraw/zinc/11/67/99/393116799.db2.gz RVPRUHAVUSLTTQ-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056183 393116802 /nfs/dbraw/zinc/11/68/02/393116802.db2.gz RVPRUHAVUSLTTQ-UONOGXRCSA-N 2 2 293.480 3.231 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)c1 ZINC000415068938 393125999 /nfs/dbraw/zinc/12/59/99/393125999.db2.gz RVVYDSXTFIKKGG-LJQANCHMSA-N 2 2 298.430 3.437 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000415068855 393126132 /nfs/dbraw/zinc/12/61/32/393126132.db2.gz ROIXPIZVJPNZOF-ZDUSSCGKSA-N 2 2 281.469 3.048 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079861 393134038 /nfs/dbraw/zinc/13/40/38/393134038.db2.gz IQDFFQPKAMIUOM-WDEREUQCSA-N 2 2 287.234 3.439 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]CCOc1ccc2ccccc2c1 ZINC000415087758 393138020 /nfs/dbraw/zinc/13/80/20/393138020.db2.gz UDQJUKVZEFIPBS-UHFFFAOYSA-N 2 2 286.419 3.196 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415086085 393139193 /nfs/dbraw/zinc/13/91/93/393139193.db2.gz UENIDTRENJLRKP-NEPJUHHUSA-N 2 2 281.469 3.233 20 0 CGADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415090582 393141231 /nfs/dbraw/zinc/14/12/31/393141231.db2.gz YBSCYUWNMWHDGZ-RYUDHWBXSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(Cl)c1Cl ZINC000261947672 393142783 /nfs/dbraw/zinc/14/27/83/393142783.db2.gz NMBYEVIWGMZYGU-HTQZYQBOSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(Cl)c1Cl ZINC000261947672 393142791 /nfs/dbraw/zinc/14/27/91/393142791.db2.gz NMBYEVIWGMZYGU-HTQZYQBOSA-N 2 2 279.236 3.224 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@H+](C)CC[NH3+])ccc21 ZINC000415110539 393147574 /nfs/dbraw/zinc/14/75/74/393147574.db2.gz PKTPDHFHAKYXSO-UHFFFAOYSA-N 2 2 281.403 3.205 20 0 CGADLP CCn1c2ccccc2c2cc(C[N@@H+](C)CC[NH3+])ccc21 ZINC000415110539 393147579 /nfs/dbraw/zinc/14/75/79/393147579.db2.gz PKTPDHFHAKYXSO-UHFFFAOYSA-N 2 2 281.403 3.205 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415122281 393151184 /nfs/dbraw/zinc/15/11/84/393151184.db2.gz LCJQYCYYBRNHKE-DZGCQCFKSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415122281 393151191 /nfs/dbraw/zinc/15/11/91/393151191.db2.gz LCJQYCYYBRNHKE-DZGCQCFKSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2c1cccc2F ZINC000271490334 393252429 /nfs/dbraw/zinc/25/24/29/393252429.db2.gz KJFYZPFPJOGXRA-KRWDZBQOSA-N 2 2 270.351 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216102 393382290 /nfs/dbraw/zinc/38/22/90/393382290.db2.gz MXGHKEURXABBLW-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCCC1 ZINC000475216102 393382296 /nfs/dbraw/zinc/38/22/96/393382296.db2.gz MXGHKEURXABBLW-DZGCQCFKSA-N 2 2 252.446 3.275 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475563555 393407870 /nfs/dbraw/zinc/40/78/70/393407870.db2.gz GXMXNFJJVNNQSZ-UHFFFAOYSA-N 2 2 290.426 3.495 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356256487 393397397 /nfs/dbraw/zinc/39/73/97/393397397.db2.gz JQJQFEILWOAWJK-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000356256487 393397401 /nfs/dbraw/zinc/39/74/01/393397401.db2.gz JQJQFEILWOAWJK-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H](C)CC(F)F)c[nH+]c12 ZINC000647225981 393397507 /nfs/dbraw/zinc/39/75/07/393397507.db2.gz LLLMADFPSWZIBX-SNVBAGLBSA-N 2 2 267.323 3.024 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C)(C3CC3)CC2)s1 ZINC000356275250 393404194 /nfs/dbraw/zinc/40/41/94/393404194.db2.gz FKYUFESUPGFWTJ-UHFFFAOYSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000474818520 393351752 /nfs/dbraw/zinc/35/17/52/393351752.db2.gz MGTWRRJDKSOXCL-ZACQAIPSSA-N 2 2 296.499 3.149 20 0 CGADLP FC1(F)CCC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000281851072 393358553 /nfs/dbraw/zinc/35/85/53/393358553.db2.gz BERLZAATLKKUGJ-GFCCVEGCSA-N 2 2 279.334 3.249 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@@H]1[NH3+] ZINC000649416890 393416805 /nfs/dbraw/zinc/41/68/05/393416805.db2.gz OXMRAMIBGDECCX-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@@H]1[NH3+] ZINC000649416890 393416809 /nfs/dbraw/zinc/41/68/09/393416809.db2.gz OXMRAMIBGDECCX-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccsc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262183 393421286 /nfs/dbraw/zinc/42/12/86/393421286.db2.gz IRZWXIUNBQWLNX-UHFFFAOYSA-N 2 2 285.416 3.345 20 0 CGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649432793 393426162 /nfs/dbraw/zinc/42/61/62/393426162.db2.gz TYHSNMPFWMAKRB-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649432793 393426166 /nfs/dbraw/zinc/42/61/66/393426166.db2.gz TYHSNMPFWMAKRB-ZDUSSCGKSA-N 2 2 255.365 3.071 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420389885 393480869 /nfs/dbraw/zinc/48/08/69/393480869.db2.gz PTFYZRRLUCEVKQ-UHFFFAOYSA-N 2 2 293.798 3.036 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000420389885 393480872 /nfs/dbraw/zinc/48/08/72/393480872.db2.gz PTFYZRRLUCEVKQ-UHFFFAOYSA-N 2 2 293.798 3.036 20 0 CGADLP c1ccc(Oc2ccccc2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000420270052 393447246 /nfs/dbraw/zinc/44/72/46/393447246.db2.gz IPIIVTWPQBWLPU-UHFFFAOYSA-N 2 2 282.387 3.274 20 0 CGADLP c1ccc(Oc2ccccc2C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000420270052 393447247 /nfs/dbraw/zinc/44/72/47/393447247.db2.gz IPIIVTWPQBWLPU-UHFFFAOYSA-N 2 2 282.387 3.274 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000420296751 393453979 /nfs/dbraw/zinc/45/39/79/393453979.db2.gz DTIVPNRLPSCLEX-NSHDSACASA-N 2 2 268.351 3.057 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000420296751 393453986 /nfs/dbraw/zinc/45/39/86/393453986.db2.gz DTIVPNRLPSCLEX-NSHDSACASA-N 2 2 268.351 3.057 20 0 CGADLP COC1(C[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000429525153 393473171 /nfs/dbraw/zinc/47/31/71/393473171.db2.gz AHXRJVFEBJWKPO-HNNXBMFYSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccc1Cl ZINC000420362870 393474585 /nfs/dbraw/zinc/47/45/85/393474585.db2.gz JASMUKZPHMPCGU-NWJSVONSSA-N 2 2 266.816 3.377 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429551151 393477387 /nfs/dbraw/zinc/47/73/87/393477387.db2.gz DFJZWORNTVMLCS-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429551151 393477394 /nfs/dbraw/zinc/47/73/94/393477394.db2.gz DFJZWORNTVMLCS-OCCSQVGLSA-N 2 2 282.378 3.442 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CS1 ZINC000488422339 393507497 /nfs/dbraw/zinc/50/74/97/393507497.db2.gz OYKGCLMCAWITQA-SJORKVTESA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CS1 ZINC000488422339 393507498 /nfs/dbraw/zinc/50/74/98/393507498.db2.gz OYKGCLMCAWITQA-SJORKVTESA-N 2 2 292.492 3.238 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000488424734 393507590 /nfs/dbraw/zinc/50/75/90/393507590.db2.gz DONAJSBEYOHCFX-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1ccoc1C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000430119424 393527457 /nfs/dbraw/zinc/52/74/57/393527457.db2.gz KSEDYDBHQUNZKQ-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP Cc1ccoc1C[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000430119424 393527464 /nfs/dbraw/zinc/52/74/64/393527464.db2.gz KSEDYDBHQUNZKQ-UHFFFAOYSA-N 2 2 296.374 3.109 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000666640980 542805244 /nfs/dbraw/zinc/80/52/44/542805244.db2.gz RHMDMHAXQFENSH-JKSUJKDBSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000666640980 542805247 /nfs/dbraw/zinc/80/52/47/542805247.db2.gz RHMDMHAXQFENSH-JKSUJKDBSA-N 2 2 278.465 3.150 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000430546701 393573277 /nfs/dbraw/zinc/57/32/77/393573277.db2.gz SQOVMAATIOFHQT-AVGNSLFASA-N 2 2 279.428 3.092 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000430546701 393573281 /nfs/dbraw/zinc/57/32/81/393573281.db2.gz SQOVMAATIOFHQT-AVGNSLFASA-N 2 2 279.428 3.092 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)o1 ZINC000666766761 542814283 /nfs/dbraw/zinc/81/42/83/542814283.db2.gz AIYQCVCGRMSFMH-CYBMUJFWSA-N 2 2 288.366 3.317 20 0 CGADLP Fc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000666768559 542814696 /nfs/dbraw/zinc/81/46/96/542814696.db2.gz KKZSDLSJRBOLSK-GFCCVEGCSA-N 2 2 290.304 3.076 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)C1CCCCC1 ZINC000666801087 542816815 /nfs/dbraw/zinc/81/68/15/542816815.db2.gz MSWBZSGVSRFUBK-CQSZACIVSA-N 2 2 293.480 3.019 20 0 CGADLP Clc1scc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1Cl ZINC000666857688 542821411 /nfs/dbraw/zinc/82/14/11/542821411.db2.gz FJTUMLWBOWAIBU-SECBINFHSA-N 2 2 279.236 3.287 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(C2CCCC2)n1 ZINC000430580462 393579193 /nfs/dbraw/zinc/57/91/93/393579193.db2.gz HMKXOMVTCROEJO-HNNXBMFYSA-N 2 2 281.469 3.264 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000489825827 393615435 /nfs/dbraw/zinc/61/54/35/393615435.db2.gz HOWFXZVKDARKMB-OBHHBEAMSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000489825827 393615438 /nfs/dbraw/zinc/61/54/38/393615438.db2.gz HOWFXZVKDARKMB-OBHHBEAMSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360440 393682287 /nfs/dbraw/zinc/68/22/87/393682287.db2.gz WEVRQNYQEIJXKE-JWDQPFGJSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360440 393682289 /nfs/dbraw/zinc/68/22/89/393682289.db2.gz WEVRQNYQEIJXKE-JWDQPFGJSA-N 2 2 262.441 3.028 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000361006063 393637574 /nfs/dbraw/zinc/63/75/74/393637574.db2.gz ZTIUIUCGCYCOLS-OAGGEKHMSA-N 2 2 282.472 3.043 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000432791877 393641673 /nfs/dbraw/zinc/64/16/73/393641673.db2.gz HYDPYZHQBBOALK-CQSZACIVSA-N 2 2 281.469 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000432791877 393641676 /nfs/dbraw/zinc/64/16/76/393641676.db2.gz HYDPYZHQBBOALK-CQSZACIVSA-N 2 2 281.469 3.012 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030638 393649974 /nfs/dbraw/zinc/64/99/74/393649974.db2.gz KJYSYGBOZFNPHT-IAQYHMDHSA-N 2 2 280.362 3.197 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030638 393649980 /nfs/dbraw/zinc/64/99/80/393649980.db2.gz KJYSYGBOZFNPHT-IAQYHMDHSA-N 2 2 280.362 3.197 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423244344 393656200 /nfs/dbraw/zinc/65/62/00/393656200.db2.gz LBOHJNHEQKNHHM-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423305579 393660117 /nfs/dbraw/zinc/66/01/17/393660117.db2.gz RFFKDUACEJGKEG-GMXVVIOVSA-N 2 2 250.411 3.028 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc(C)c1F ZINC000423353447 393662204 /nfs/dbraw/zinc/66/22/04/393662204.db2.gz BSRYKEOYMHWZEP-DGFSRKRXSA-N 2 2 264.388 3.091 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000423353377 393662673 /nfs/dbraw/zinc/66/26/73/393662673.db2.gz BMXYXCWXOAPOEI-OBJOEFQTSA-N 2 2 278.465 3.276 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423361184 393663344 /nfs/dbraw/zinc/66/33/44/393663344.db2.gz RFFKDUACEJGKEG-LOWVWBTDSA-N 2 2 250.411 3.028 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cnn1C(C)C ZINC000423385271 393665919 /nfs/dbraw/zinc/66/59/19/393665919.db2.gz KKAHBEMRZUQVHM-CZUORRHYSA-N 2 2 292.471 3.201 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000443195524 393749176 /nfs/dbraw/zinc/74/91/76/393749176.db2.gz KYEOJPLRXNEKMD-YCPHGPKFSA-N 2 2 278.465 3.081 20 0 CGADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000433116855 393688026 /nfs/dbraw/zinc/68/80/26/393688026.db2.gz NDOKUYLVXAAZSG-MRXNPFEDSA-N 2 2 299.374 3.043 20 0 CGADLP CC1(C)CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000433166836 393693064 /nfs/dbraw/zinc/69/30/64/393693064.db2.gz YMVAOFWALHTYKI-UHFFFAOYSA-N 2 2 257.381 3.274 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C(C)C)[C@@H](C)C1 ZINC000503920951 393909026 /nfs/dbraw/zinc/90/90/26/393909026.db2.gz QCMSIEYGJFLMPW-RRQGHBQHSA-N 2 2 278.415 3.453 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C(C)C)[C@@H](C)C1 ZINC000503920951 393909031 /nfs/dbraw/zinc/90/90/31/393909031.db2.gz QCMSIEYGJFLMPW-RRQGHBQHSA-N 2 2 278.415 3.453 20 0 CGADLP c1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000501868166 393863378 /nfs/dbraw/zinc/86/33/78/393863378.db2.gz BPIASSPKEZMDME-MSOLQXFVSA-N 2 2 272.436 3.398 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000449669382 393937464 /nfs/dbraw/zinc/93/74/64/393937464.db2.gz MKAHOZDYVUDZTD-OAHLLOKOSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)n1C ZINC000667463485 542872329 /nfs/dbraw/zinc/87/23/29/542872329.db2.gz PJEWYDHAFQWVDA-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)n1C ZINC000667463485 542872331 /nfs/dbraw/zinc/87/23/31/542872331.db2.gz PJEWYDHAFQWVDA-UHFFFAOYSA-N 2 2 273.355 3.032 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453115776 394177348 /nfs/dbraw/zinc/17/73/48/394177348.db2.gz SPVDYVJBTJKZTB-WMZOPIPTSA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453115776 394177350 /nfs/dbraw/zinc/17/73/50/394177350.db2.gz SPVDYVJBTJKZTB-WMZOPIPTSA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453116959 394177370 /nfs/dbraw/zinc/17/73/70/394177370.db2.gz UGJPJNCWFMRKMD-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453116959 394177371 /nfs/dbraw/zinc/17/73/71/394177371.db2.gz UGJPJNCWFMRKMD-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(Cl)c2)n1C ZINC000667476668 542874980 /nfs/dbraw/zinc/87/49/80/542874980.db2.gz FTOLQESLNIQIPN-UHFFFAOYSA-N 2 2 263.772 3.014 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(Cl)c2)n1C ZINC000667476668 542874984 /nfs/dbraw/zinc/87/49/84/542874984.db2.gz FTOLQESLNIQIPN-UHFFFAOYSA-N 2 2 263.772 3.014 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000453253552 394221737 /nfs/dbraw/zinc/22/17/37/394221737.db2.gz IQJLQLNMOQXOII-OGHNNQOOSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000453253552 394221741 /nfs/dbraw/zinc/22/17/41/394221741.db2.gz IQJLQLNMOQXOII-OGHNNQOOSA-N 2 2 276.399 3.267 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)c1 ZINC000453412188 394238610 /nfs/dbraw/zinc/23/86/10/394238610.db2.gz HLSOUXDTVWUMCN-LJQANCHMSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CCCNc1cccc[nH+]1 ZINC000453139120 394184395 /nfs/dbraw/zinc/18/43/95/394184395.db2.gz WTKFSVUPGGSNCF-INIZCTEOSA-N 2 2 298.434 3.280 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]C(C)(C)C[NH+](C)C ZINC000453602742 394255551 /nfs/dbraw/zinc/25/55/51/394255551.db2.gz HBZSUHJVKHOZCJ-CYBMUJFWSA-N 2 2 266.404 3.077 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)n1C ZINC000667502881 542879897 /nfs/dbraw/zinc/87/98/97/542879897.db2.gz RQJYWIFBTRFPKU-QGZVFWFLSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)n1C ZINC000667502881 542879899 /nfs/dbraw/zinc/87/98/99/542879899.db2.gz RQJYWIFBTRFPKU-QGZVFWFLSA-N 2 2 283.419 3.326 20 0 CGADLP COc1cccc(C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c1 ZINC000667567683 542891330 /nfs/dbraw/zinc/89/13/30/542891330.db2.gz DLVPOVCUFWOGCW-UHFFFAOYSA-N 2 2 299.418 3.117 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1F ZINC000667587543 542894134 /nfs/dbraw/zinc/89/41/34/542894134.db2.gz WLOLFVDWVKFERM-GFCCVEGCSA-N 2 2 295.308 3.138 20 0 CGADLP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000667765929 542927053 /nfs/dbraw/zinc/92/70/53/542927053.db2.gz LZTDKDDAMBLCKC-QANKJYHBSA-N 2 2 297.402 3.090 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857172 542938147 /nfs/dbraw/zinc/93/81/47/542938147.db2.gz CZVXPNJLESETOP-DGXTUMSLSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)n1C ZINC000667996001 542955045 /nfs/dbraw/zinc/95/50/45/542955045.db2.gz ATOZFHAPFFLXTC-GOSISDBHSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)n1C ZINC000667996001 542955047 /nfs/dbraw/zinc/95/50/47/542955047.db2.gz ATOZFHAPFFLXTC-GOSISDBHSA-N 2 2 283.419 3.326 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1C ZINC000667960320 542951064 /nfs/dbraw/zinc/95/10/64/542951064.db2.gz JVQYTAMUNNGUQJ-MQNTZWLQSA-N 2 2 281.403 3.406 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1C ZINC000668143132 542975710 /nfs/dbraw/zinc/97/57/10/542975710.db2.gz NDEPTWBIRDHOHJ-OTWHNJEPSA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1C ZINC000668143132 542975715 /nfs/dbraw/zinc/97/57/15/542975715.db2.gz NDEPTWBIRDHOHJ-OTWHNJEPSA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1-c1ccccc1 ZINC000668676254 543042727 /nfs/dbraw/zinc/04/27/27/543042727.db2.gz OLLZXXYOEDERFR-HUUCEWRRSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1-c1ccccc1 ZINC000668676254 543042730 /nfs/dbraw/zinc/04/27/30/543042730.db2.gz OLLZXXYOEDERFR-HUUCEWRRSA-N 2 2 267.376 3.023 20 0 CGADLP Clc1csc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000551231091 289103639 /nfs/dbraw/zinc/10/36/39/289103639.db2.gz JJISOCALFLPPIX-UHFFFAOYSA-N 2 2 281.812 3.224 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+](C)C)cc1 ZINC000671096967 543158883 /nfs/dbraw/zinc/15/88/83/543158883.db2.gz WVSFXNMZXFSRFR-PBHICJAKSA-N 2 2 292.467 3.255 20 0 CGADLP Clc1cscc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194866 543162384 /nfs/dbraw/zinc/16/23/84/543162384.db2.gz KNZCATSTSSCAPJ-UHFFFAOYSA-N 2 2 281.812 3.224 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671303053 543168158 /nfs/dbraw/zinc/16/81/58/543168158.db2.gz OUYYHWUDZUOTOZ-KRWDZBQOSA-N 2 2 281.403 3.305 20 0 CGADLP COC1(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC000359973019 292120959 /nfs/dbraw/zinc/12/09/59/292120959.db2.gz ZUMZJFVVYSTBLE-UHFFFAOYSA-N 2 2 282.472 3.190 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)c1cnccn1)C1CCCCC1 ZINC000650131521 397789455 /nfs/dbraw/zinc/78/94/55/397789455.db2.gz PWHWORPOUUUYLV-OAHLLOKOSA-N 2 2 290.455 3.172 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)c1cnccn1)C1CCCCC1 ZINC000650131521 397789456 /nfs/dbraw/zinc/78/94/56/397789456.db2.gz PWHWORPOUUUYLV-OAHLLOKOSA-N 2 2 290.455 3.172 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CCC1 ZINC000429517214 292125805 /nfs/dbraw/zinc/12/58/05/292125805.db2.gz MVTDNLAJBQVTCY-HOTGVXAUSA-N 2 2 282.472 3.044 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000421800474 292135769 /nfs/dbraw/zinc/13/57/69/292135769.db2.gz HKWPYHRZBISIFQ-WBVHZDCISA-N 2 2 290.451 3.227 20 0 CGADLP c1[nH+]c2ccccn2c1C[NH+]1C2CCCC1CCC2 ZINC000675247641 543324051 /nfs/dbraw/zinc/32/40/51/543324051.db2.gz PUJKWBXTIFPDFC-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000675766581 543362358 /nfs/dbraw/zinc/36/23/58/543362358.db2.gz LVJMGHNLICSTPP-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000675766581 543362360 /nfs/dbraw/zinc/36/23/60/543362360.db2.gz LVJMGHNLICSTPP-OFQRWUPVSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000675766041 543361408 /nfs/dbraw/zinc/36/14/08/543361408.db2.gz GSFBXSPJXSTCSN-OKZBNKHCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000675766041 543361409 /nfs/dbraw/zinc/36/14/09/543361409.db2.gz GSFBXSPJXSTCSN-OKZBNKHCSA-N 2 2 272.436 3.082 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675832807 543367415 /nfs/dbraw/zinc/36/74/15/543367415.db2.gz AJWSFISAGRIIEV-NUEKZKHPSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832807 543367416 /nfs/dbraw/zinc/36/74/16/543367416.db2.gz AJWSFISAGRIIEV-NUEKZKHPSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675833373 543368773 /nfs/dbraw/zinc/36/87/73/543368773.db2.gz MSYSCUKLTOHDEG-YJBOKZPZSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675833373 543368775 /nfs/dbraw/zinc/36/87/75/543368775.db2.gz MSYSCUKLTOHDEG-YJBOKZPZSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)s1 ZINC000676839534 543421469 /nfs/dbraw/zinc/42/14/69/543421469.db2.gz MUVIAABEOFOJFM-NSHDSACASA-N 2 2 293.480 3.427 20 0 CGADLP CC(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748052 543463543 /nfs/dbraw/zinc/46/35/43/543463543.db2.gz CXFSNNOOCSFGFX-MRXNPFEDSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677748052 543463544 /nfs/dbraw/zinc/46/35/44/543463544.db2.gz CXFSNNOOCSFGFX-MRXNPFEDSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678597684 543541220 /nfs/dbraw/zinc/54/12/20/543541220.db2.gz HERMZYWTMLSZTR-COXVUDFISA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678597684 543541223 /nfs/dbraw/zinc/54/12/23/543541223.db2.gz HERMZYWTMLSZTR-COXVUDFISA-N 2 2 258.409 3.068 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872097 292337474 /nfs/dbraw/zinc/33/74/74/292337474.db2.gz WVMXXKCEYIDWID-HOCLYGCPSA-N 2 2 297.402 3.010 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329051 292382896 /nfs/dbraw/zinc/38/28/96/292382896.db2.gz YCWHZPXCCLMLCL-ZOBUZTSGSA-N 2 2 278.440 3.083 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCOC1 ZINC000374241315 287027642 /nfs/dbraw/zinc/02/76/42/287027642.db2.gz LOHCGWLHBBNNAZ-SJORKVTESA-N 2 2 294.483 3.047 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CCC(F)(F)CC1 ZINC000353243947 287027345 /nfs/dbraw/zinc/02/73/45/287027345.db2.gz NNWQEZVESSIPGV-CYBMUJFWSA-N 2 2 274.399 3.276 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000070100517 165053556 /nfs/dbraw/zinc/05/35/56/165053556.db2.gz FSDSHRTYQMYECR-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000070100517 165053557 /nfs/dbraw/zinc/05/35/57/165053557.db2.gz FSDSHRTYQMYECR-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C3CCCCCC3)CC2)nc1 ZINC000069710767 165054645 /nfs/dbraw/zinc/05/46/45/165054645.db2.gz PBUCFMDMXRHNNM-UHFFFAOYSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000075834932 165105760 /nfs/dbraw/zinc/10/57/60/165105760.db2.gz JAPFUDBHYCYNED-HNNXBMFYSA-N 2 2 299.418 3.136 20 0 CGADLP c1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000075834932 165105769 /nfs/dbraw/zinc/10/57/69/165105769.db2.gz JAPFUDBHYCYNED-HNNXBMFYSA-N 2 2 299.418 3.136 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000075799843 165107399 /nfs/dbraw/zinc/10/73/99/165107399.db2.gz QFFOBOCUBVCYPG-UHFFFAOYSA-N 2 2 298.430 3.385 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000080452236 165152573 /nfs/dbraw/zinc/15/25/73/165152573.db2.gz PAOKLWJNYDBUAM-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080452236 165152577 /nfs/dbraw/zinc/15/25/77/165152577.db2.gz PAOKLWJNYDBUAM-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC2(C)C)n1-c1ccccc1 ZINC000092128975 165284033 /nfs/dbraw/zinc/28/40/33/165284033.db2.gz SNOGNILGLYWWNS-HNNXBMFYSA-N 2 2 255.365 3.069 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341313 165350019 /nfs/dbraw/zinc/35/00/19/165350019.db2.gz ZKMZGRRUWSBQLZ-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341313 165350022 /nfs/dbraw/zinc/35/00/22/165350022.db2.gz ZKMZGRRUWSBQLZ-ZANVPECISA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@]1(C[NH2+]CC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121818723 287203811 /nfs/dbraw/zinc/20/38/11/287203811.db2.gz MYRKHEPUTPASNU-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP C[C@@]1(C[NH2+]CC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000121818723 287203812 /nfs/dbraw/zinc/20/38/12/287203812.db2.gz MYRKHEPUTPASNU-KRWDZBQOSA-N 2 2 258.409 3.041 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000284225376 196006890 /nfs/dbraw/zinc/00/68/90/196006890.db2.gz HMDAYNCOLNGFQT-ZTFGCOKTSA-N 2 2 299.418 3.064 20 0 CGADLP CC1=CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000284248990 196013103 /nfs/dbraw/zinc/01/31/03/196013103.db2.gz VNEBBJJDLJAXAH-OAHLLOKOSA-N 2 2 259.397 3.362 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572865 287234707 /nfs/dbraw/zinc/23/47/07/287234707.db2.gz BPENKOXEEQLASV-SKDRFNHKSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000124572865 287234710 /nfs/dbraw/zinc/23/47/10/287234710.db2.gz BPENKOXEEQLASV-SKDRFNHKSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020141427 171027957 /nfs/dbraw/zinc/02/79/57/171027957.db2.gz LTIXISISRBNOKW-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020361816 171160348 /nfs/dbraw/zinc/16/03/48/171160348.db2.gz UZPIFPWIECVPSY-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020361816 171160349 /nfs/dbraw/zinc/16/03/49/171160349.db2.gz UZPIFPWIECVPSY-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506185 171228432 /nfs/dbraw/zinc/22/84/32/171228432.db2.gz XLBAOEUBPQQWMV-OAHLLOKOSA-N 2 2 287.407 3.413 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000035258957 172090869 /nfs/dbraw/zinc/09/08/69/172090869.db2.gz NFEGQTUSPYGAEX-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134377 196204414 /nfs/dbraw/zinc/20/44/14/196204414.db2.gz SMVNHVVREXVFCU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134377 196204415 /nfs/dbraw/zinc/20/44/15/196204415.db2.gz SMVNHVVREXVFCU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134377 196204417 /nfs/dbraw/zinc/20/44/17/196204417.db2.gz SMVNHVVREXVFCU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285134377 196204419 /nfs/dbraw/zinc/20/44/19/196204419.db2.gz SMVNHVVREXVFCU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@H]([NH2+]CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000037179400 173013182 /nfs/dbraw/zinc/01/31/82/173013182.db2.gz LWWXSXYGBFMUPZ-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000037423812 173199582 /nfs/dbraw/zinc/19/95/82/173199582.db2.gz LXSGYMXBVNCXKS-UHFFFAOYSA-N 2 2 284.190 3.370 20 0 CGADLP c1coc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000037515560 173246646 /nfs/dbraw/zinc/24/66/46/173246646.db2.gz GJZWMIPEZUDELU-UHFFFAOYSA-N 2 2 284.403 3.076 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2cccc(Cl)c2)C1)[NH+](C)C ZINC000038087773 174100887 /nfs/dbraw/zinc/10/08/87/174100887.db2.gz SLWMXYPAWBEEOP-ZOODHJKOSA-N 2 2 266.816 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000040437447 174262702 /nfs/dbraw/zinc/26/27/02/174262702.db2.gz BVNLOVMYBKAPRD-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000127859365 287297465 /nfs/dbraw/zinc/29/74/65/287297465.db2.gz RCTMFLLAXUKIEH-CYBMUJFWSA-N 2 2 264.457 3.418 20 0 CGADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000127859365 287297469 /nfs/dbraw/zinc/29/74/69/287297469.db2.gz RCTMFLLAXUKIEH-CYBMUJFWSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414952116 287298352 /nfs/dbraw/zinc/29/83/52/287298352.db2.gz HUFLNGZYLAMSAN-XOKHGSTOSA-N 2 2 258.409 3.042 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CC=CCC3)cc2)c[nH+]1 ZINC000076770870 177086719 /nfs/dbraw/zinc/08/67/19/177086719.db2.gz LZKRHICGLBZCHS-HNNXBMFYSA-N 2 2 253.349 3.071 20 0 CGADLP Cn1c(CCC[NH2+]Cc2ccccc2F)[nH+]c2ccccc21 ZINC000076901160 177129517 /nfs/dbraw/zinc/12/95/17/177129517.db2.gz ZSUWXEOOQQEYFY-UHFFFAOYSA-N 2 2 297.377 3.435 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000129428845 287331479 /nfs/dbraw/zinc/33/14/79/287331479.db2.gz LZHJUAPKMZCXCT-UHFFFAOYSA-N 2 2 290.304 3.028 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122288259 416504871 /nfs/dbraw/zinc/50/48/71/416504871.db2.gz PDBJEVKRBFBCAQ-JSGCOSHPSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122288259 416504874 /nfs/dbraw/zinc/50/48/74/416504874.db2.gz PDBJEVKRBFBCAQ-JSGCOSHPSA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H](CCCCO)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000679342275 543622704 /nfs/dbraw/zinc/62/27/04/543622704.db2.gz NVHFLEIKBSBJRA-CVEARBPZSA-N 2 2 292.467 3.257 20 0 CGADLP Cc1noc([C@H](C)[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000679952549 543670111 /nfs/dbraw/zinc/67/01/11/543670111.db2.gz ADZFWWFNUCPMEM-LBPRGKRZSA-N 2 2 286.379 3.022 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681975448 543813171 /nfs/dbraw/zinc/81/31/71/543813171.db2.gz DMBZUCBLZIWYAG-ZCNNSNEGSA-N 2 2 298.474 3.472 20 0 CGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681975448 543813173 /nfs/dbraw/zinc/81/31/73/543813173.db2.gz DMBZUCBLZIWYAG-ZCNNSNEGSA-N 2 2 298.474 3.472 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)CC(F)(F)F)n2c1 ZINC000681989002 543813925 /nfs/dbraw/zinc/81/39/25/543813925.db2.gz OCWSACMUWJTSLC-UHFFFAOYSA-N 2 2 285.313 3.463 20 0 CGADLP Cn1cc[nH+]c1[C@H](Nc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000681562699 543795052 /nfs/dbraw/zinc/79/50/52/543795052.db2.gz BKHQGOBTPWIBQG-MRXNPFEDSA-N 2 2 284.407 3.045 20 0 CGADLP COc1cc(C)[nH+]c(CNc2ccccc2CC[NH+](C)C)c1 ZINC000682169655 543833470 /nfs/dbraw/zinc/83/34/70/543833470.db2.gz IUTQCMROMFJMGC-UHFFFAOYSA-N 2 2 299.418 3.115 20 0 CGADLP Oc1cccc2c(NCCCNc3cccc[nH+]3)cc[nH+]c12 ZINC000682239450 543835916 /nfs/dbraw/zinc/83/59/16/543835916.db2.gz OPIIGMOPLVZRMI-UHFFFAOYSA-N 2 2 294.358 3.250 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(O)cc1)[NH+](C)C ZINC000682409574 543842819 /nfs/dbraw/zinc/84/28/19/543842819.db2.gz QNBDJTQRQASRIR-KXBFYZLASA-N 2 2 298.430 3.482 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000131141692 287371770 /nfs/dbraw/zinc/37/17/70/287371770.db2.gz BAWJGOOIDNWNGK-SSZWKKLZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C[N@H+]1C1CC1 ZINC000131141692 287371772 /nfs/dbraw/zinc/37/17/72/287371772.db2.gz BAWJGOOIDNWNGK-SSZWKKLZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684113751 543968543 /nfs/dbraw/zinc/96/85/43/543968543.db2.gz MSNITDBYOXCZEY-ZFWWWQNUSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684113751 543968546 /nfs/dbraw/zinc/96/85/46/543968546.db2.gz MSNITDBYOXCZEY-ZFWWWQNUSA-N 2 2 280.481 3.389 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000684620898 544020703 /nfs/dbraw/zinc/02/07/03/544020703.db2.gz NSXVZNMJPSFTRZ-MRXNPFEDSA-N 2 2 299.418 3.161 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2Cc3ccccc32)c[nH+]1 ZINC000684376880 543988195 /nfs/dbraw/zinc/98/81/95/543988195.db2.gz FQKAQGRSZDMJFD-KRWDZBQOSA-N 2 2 266.388 3.252 20 0 CGADLP Cc1ccc(CCC[NH2+]C2CCC(C[NH+](C)C)CC2)c[nH+]1 ZINC000684387271 543990791 /nfs/dbraw/zinc/99/07/91/543990791.db2.gz FMPXUKKUFHSKPB-UHFFFAOYSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@]2(O)CCCC(C)(C)C2)c[nH+]1 ZINC000684404466 543993715 /nfs/dbraw/zinc/99/37/15/543993715.db2.gz LZELMEZQBHYSNE-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000685662261 544093314 /nfs/dbraw/zinc/09/33/14/544093314.db2.gz CJTDZLMGCORZDP-JYJNAYRXSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000685662261 544093316 /nfs/dbraw/zinc/09/33/16/544093316.db2.gz CJTDZLMGCORZDP-JYJNAYRXSA-N 2 2 281.403 3.193 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000367106505 227011979 /nfs/dbraw/zinc/01/19/79/227011979.db2.gz JPBFOBITCNJRST-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000367106505 227011981 /nfs/dbraw/zinc/01/19/81/227011981.db2.gz JPBFOBITCNJRST-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COCc2ccccc21 ZINC000418107078 227179074 /nfs/dbraw/zinc/17/90/74/227179074.db2.gz OHILQJYFBIGXKI-GOSISDBHSA-N 2 2 282.387 3.184 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COCc2ccccc21 ZINC000418107079 227180230 /nfs/dbraw/zinc/18/02/30/227180230.db2.gz OHILQJYFBIGXKI-SFHVURJKSA-N 2 2 282.387 3.184 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1nccn1C)C1CCCCC1 ZINC000652238208 418939479 /nfs/dbraw/zinc/93/94/79/418939479.db2.gz YEZMTUUGYNNONQ-HNNXBMFYSA-N 2 2 292.471 3.115 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1nccn1C)C1CCCCC1 ZINC000652238208 418939483 /nfs/dbraw/zinc/93/94/83/418939483.db2.gz YEZMTUUGYNNONQ-HNNXBMFYSA-N 2 2 292.471 3.115 20 0 CGADLP C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652286114 418943939 /nfs/dbraw/zinc/94/39/39/418943939.db2.gz NKSCKUAGSYYYBU-CABCVRRESA-N 2 2 299.418 3.338 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000664404000 418953335 /nfs/dbraw/zinc/95/33/35/418953335.db2.gz TZVRUZNGWKOORG-OAHLLOKOSA-N 2 2 288.439 3.221 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(C)c(C)[nH+]1 ZINC000664404000 418953336 /nfs/dbraw/zinc/95/33/36/418953336.db2.gz TZVRUZNGWKOORG-OAHLLOKOSA-N 2 2 288.439 3.221 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000653536584 419043781 /nfs/dbraw/zinc/04/37/81/419043781.db2.gz AZFSTDFFVBGKGQ-INIZCTEOSA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000653536584 419043783 /nfs/dbraw/zinc/04/37/83/419043783.db2.gz AZFSTDFFVBGKGQ-INIZCTEOSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000665229469 419085634 /nfs/dbraw/zinc/08/56/34/419085634.db2.gz ZBGJEDPNMMNULC-TVQRCGJNSA-N 2 2 273.207 3.224 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655857248 419124310 /nfs/dbraw/zinc/12/43/10/419124310.db2.gz UISQCDWVXMHSRP-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655857248 419124314 /nfs/dbraw/zinc/12/43/14/419124314.db2.gz UISQCDWVXMHSRP-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCC1 ZINC000665248232 419092936 /nfs/dbraw/zinc/09/29/36/419092936.db2.gz SJPKTXCKXBMYQH-KRWDZBQOSA-N 2 2 281.403 3.032 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)cc(Cl)c1 ZINC000665277882 419100184 /nfs/dbraw/zinc/10/01/84/419100184.db2.gz OEEWVFSKZLBZKD-IPWFMCSPSA-N 2 2 285.218 3.396 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCCC2)o1 ZINC000665278864 419100782 /nfs/dbraw/zinc/10/07/82/419100782.db2.gz QBSHUFACXKXJCH-BLDCVEFLSA-N 2 2 274.408 3.161 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000665296574 419109595 /nfs/dbraw/zinc/10/95/95/419109595.db2.gz UVEPCYDISKIYNX-CABZTGNLSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000665297535 419110127 /nfs/dbraw/zinc/11/01/27/419110127.db2.gz HUNPMDMAPJQEQL-IINYFYTJSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000665297288 419110264 /nfs/dbraw/zinc/11/02/64/419110264.db2.gz COHBHBLVQIGIIT-DTWKUNHWSA-N 2 2 291.258 3.078 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000665296928 419111099 /nfs/dbraw/zinc/11/10/99/419111099.db2.gz ZTWANMAAZRJPPF-MFKMUULPSA-N 2 2 284.856 3.465 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848672 419118645 /nfs/dbraw/zinc/11/86/45/419118645.db2.gz JUSPRRCCGHJKPP-UPJWGTAASA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848672 419118647 /nfs/dbraw/zinc/11/86/47/419118647.db2.gz JUSPRRCCGHJKPP-UPJWGTAASA-N 2 2 278.362 3.324 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655849750 419120767 /nfs/dbraw/zinc/12/07/67/419120767.db2.gz YJHDTZXXMYXEGS-USXIJHARSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655849750 419120769 /nfs/dbraw/zinc/12/07/69/419120769.db2.gz YJHDTZXXMYXEGS-USXIJHARSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC2(CCCCC2)O1 ZINC000656281114 419166170 /nfs/dbraw/zinc/16/61/70/419166170.db2.gz SEVXUMFSQHARJK-OAHLLOKOSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC2(CCCCC2)O1 ZINC000656281114 419166172 /nfs/dbraw/zinc/16/61/72/419166172.db2.gz SEVXUMFSQHARJK-OAHLLOKOSA-N 2 2 299.418 3.258 20 0 CGADLP CC(C)c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657290248 419243996 /nfs/dbraw/zinc/24/39/96/419243996.db2.gz LUHSDRPRIQCVDX-UHFFFAOYSA-N 2 2 283.419 3.285 20 0 CGADLP COc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C(C)C)cc1 ZINC000657296363 419245138 /nfs/dbraw/zinc/24/51/38/419245138.db2.gz GQTRKDWOISMQGE-GOSISDBHSA-N 2 2 299.418 3.325 20 0 CGADLP CC(C)COc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657324142 419250707 /nfs/dbraw/zinc/25/07/07/419250707.db2.gz UVPAOBUEAHXMDN-UHFFFAOYSA-N 2 2 299.418 3.154 20 0 CGADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000661482554 419263992 /nfs/dbraw/zinc/26/39/92/419263992.db2.gz BGKAUQOSQNDLDL-HNNXBMFYSA-N 2 2 261.344 3.009 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388647 419267489 /nfs/dbraw/zinc/26/74/89/419267489.db2.gz MPYZQHCUCMZEDH-KPZWWZAWSA-N 2 2 299.393 3.382 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1[nH+]ccn1C(C)C ZINC000656779465 419217320 /nfs/dbraw/zinc/21/73/20/419217320.db2.gz YLXQHCIPMSUVQO-UHFFFAOYSA-N 2 2 258.369 3.342 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510480 419268250 /nfs/dbraw/zinc/26/82/50/419268250.db2.gz HDXKOGJBTOPNAL-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510480 419268251 /nfs/dbraw/zinc/26/82/51/419268251.db2.gz HDXKOGJBTOPNAL-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510480 419268253 /nfs/dbraw/zinc/26/82/53/419268253.db2.gz HDXKOGJBTOPNAL-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661510480 419268255 /nfs/dbraw/zinc/26/82/55/419268255.db2.gz HDXKOGJBTOPNAL-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP Fc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(F)c1F ZINC000657391397 419268433 /nfs/dbraw/zinc/26/84/33/419268433.db2.gz SFVGXCOEEJHOMI-UHFFFAOYSA-N 2 2 295.308 3.091 20 0 CGADLP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000661135437 419234614 /nfs/dbraw/zinc/23/46/14/419234614.db2.gz BWHRODUHPGLSCP-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000661135437 419234617 /nfs/dbraw/zinc/23/46/17/419234617.db2.gz BWHRODUHPGLSCP-KRWDZBQOSA-N 2 2 283.419 3.417 20 0 CGADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420598 419274093 /nfs/dbraw/zinc/27/40/93/419274093.db2.gz DSUDBPNHHFRMGZ-SCLBCKFNSA-N 2 2 281.403 3.243 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)oc21 ZINC000657469546 419285905 /nfs/dbraw/zinc/28/59/05/419285905.db2.gz IWRDFLJEAVNUPC-AWEZNQCLSA-N 2 2 295.386 3.365 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)oc21 ZINC000657469546 419285906 /nfs/dbraw/zinc/28/59/06/419285906.db2.gz IWRDFLJEAVNUPC-AWEZNQCLSA-N 2 2 295.386 3.365 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657497479 419294165 /nfs/dbraw/zinc/29/41/65/419294165.db2.gz YAZOUBFOFUFWKK-ZIAGYGMSSA-N 2 2 261.413 3.134 20 0 CGADLP Fc1ccccc1C1([NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657498817 419294648 /nfs/dbraw/zinc/29/46/48/419294648.db2.gz MSSMXTXIQVOSJH-UHFFFAOYSA-N 2 2 285.366 3.137 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Cl ZINC000657523616 419297208 /nfs/dbraw/zinc/29/72/08/419297208.db2.gz HIWXDGCNWCAGPQ-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1Cl ZINC000657523616 419297211 /nfs/dbraw/zinc/29/72/11/419297211.db2.gz HIWXDGCNWCAGPQ-ZDUSSCGKSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657526669 419298398 /nfs/dbraw/zinc/29/83/98/419298398.db2.gz KMOAZEBUJIJQMI-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657526669 419298399 /nfs/dbraw/zinc/29/83/99/419298399.db2.gz KMOAZEBUJIJQMI-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000657562002 419304995 /nfs/dbraw/zinc/30/49/95/419304995.db2.gz FFGBFXPNSAEEQA-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000657562002 419304997 /nfs/dbraw/zinc/30/49/97/419304997.db2.gz FFGBFXPNSAEEQA-BBWFWOEESA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000657563202 419306091 /nfs/dbraw/zinc/30/60/91/419306091.db2.gz QCQMXZINHXQYER-SJORKVTESA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000657563202 419306093 /nfs/dbraw/zinc/30/60/93/419306093.db2.gz QCQMXZINHXQYER-SJORKVTESA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+]1Cc1ccccc1 ZINC000657653430 419319481 /nfs/dbraw/zinc/31/94/81/419319481.db2.gz KWERZXSBTMOMST-CRAIPNDOSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+]1Cc1ccccc1 ZINC000657653430 419319483 /nfs/dbraw/zinc/31/94/83/419319483.db2.gz KWERZXSBTMOMST-CRAIPNDOSA-N 2 2 284.403 3.075 20 0 CGADLP CC(C)(C)OCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657638135 419317582 /nfs/dbraw/zinc/31/75/82/419317582.db2.gz NIJPVUAPYHIVRF-UHFFFAOYSA-N 2 2 293.436 3.229 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)n2c1 ZINC000657657097 419319890 /nfs/dbraw/zinc/31/98/90/419319890.db2.gz NXCKFGDKYVORMC-OFQRWUPVSA-N 2 2 269.392 3.169 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)[nH+]1 ZINC000657713632 419331984 /nfs/dbraw/zinc/33/19/84/419331984.db2.gz ILYSKXFEFDCWSK-IAGOWNOFSA-N 2 2 277.371 3.370 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000657742196 419335422 /nfs/dbraw/zinc/33/54/22/419335422.db2.gz OQMPMGTYYLYQIR-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000657742196 419335425 /nfs/dbraw/zinc/33/54/25/419335425.db2.gz OQMPMGTYYLYQIR-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783466 419347546 /nfs/dbraw/zinc/34/75/46/419347546.db2.gz SVDXTDZBQZKFKM-QFBILLFUSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000657783466 419347550 /nfs/dbraw/zinc/34/75/50/419347550.db2.gz SVDXTDZBQZKFKM-QFBILLFUSA-N 2 2 298.430 3.322 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000662200433 419357702 /nfs/dbraw/zinc/35/77/02/419357702.db2.gz GOCCZVKGQVBHDH-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000662200433 419357709 /nfs/dbraw/zinc/35/77/09/419357709.db2.gz GOCCZVKGQVBHDH-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nsc2ccccc21 ZINC000662234806 419370869 /nfs/dbraw/zinc/37/08/69/419370869.db2.gz NJAGVRVXEHDKML-SWLSCSKDSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662234806 419370875 /nfs/dbraw/zinc/37/08/75/419370875.db2.gz NJAGVRVXEHDKML-SWLSCSKDSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@@H+]1C1CC1 ZINC000657901590 419428831 /nfs/dbraw/zinc/42/88/31/419428831.db2.gz FCFDFLRAUBDIEX-XHXGSEDSSA-N 2 2 262.441 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C[N@H+]1C1CC1 ZINC000657901590 419428841 /nfs/dbraw/zinc/42/88/41/419428841.db2.gz FCFDFLRAUBDIEX-XHXGSEDSSA-N 2 2 262.441 3.026 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@@H]1c1ccccc1 ZINC000657937887 419452221 /nfs/dbraw/zinc/45/22/21/419452221.db2.gz VTKRJGJSLZINHF-CVEARBPZSA-N 2 2 294.389 3.109 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@@H]1c1ccccc1 ZINC000657937887 419452227 /nfs/dbraw/zinc/45/22/27/419452227.db2.gz VTKRJGJSLZINHF-CVEARBPZSA-N 2 2 294.389 3.109 20 0 CGADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+](C)C ZINC000658014803 419493422 /nfs/dbraw/zinc/49/34/22/419493422.db2.gz OPECPLUXVAOVRU-CQSZACIVSA-N 2 2 288.357 3.178 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657954439 419462226 /nfs/dbraw/zinc/46/22/26/419462226.db2.gz URVASOKOWQLVPF-OUCADQQQSA-N 2 2 289.448 3.287 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657954439 419462234 /nfs/dbraw/zinc/46/22/34/419462234.db2.gz URVASOKOWQLVPF-OUCADQQQSA-N 2 2 289.448 3.287 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000658054308 419522093 /nfs/dbraw/zinc/52/20/93/419522093.db2.gz DECLGLUSMRTDPL-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000658054308 419522100 /nfs/dbraw/zinc/52/21/00/419522100.db2.gz DECLGLUSMRTDPL-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000658058840 419531967 /nfs/dbraw/zinc/53/19/67/419531967.db2.gz VAHLNZNBIZPVQS-HOCLYGCPSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000658058840 419531974 /nfs/dbraw/zinc/53/19/74/419531974.db2.gz VAHLNZNBIZPVQS-HOCLYGCPSA-N 2 2 288.435 3.363 20 0 CGADLP CCn1c2ccc(C)cc2[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663256435 419533832 /nfs/dbraw/zinc/53/38/32/419533832.db2.gz OIPQCRYZDLLIIG-UHFFFAOYSA-N 2 2 295.390 3.119 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063432 419535669 /nfs/dbraw/zinc/53/56/69/419535669.db2.gz VLXKGLHAFOHDDQ-KGLIPLIRSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000658063432 419535676 /nfs/dbraw/zinc/53/56/76/419535676.db2.gz VLXKGLHAFOHDDQ-KGLIPLIRSA-N 2 2 297.446 3.098 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063451 419537766 /nfs/dbraw/zinc/53/77/66/419537766.db2.gz VREWVUNMURIZOV-DZGCQCFKSA-N 2 2 292.471 3.296 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063451 419537778 /nfs/dbraw/zinc/53/77/78/419537778.db2.gz VREWVUNMURIZOV-DZGCQCFKSA-N 2 2 292.471 3.296 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000658064350 419539958 /nfs/dbraw/zinc/53/99/58/419539958.db2.gz ZNJBWMITYWUNER-HOTGVXAUSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000658064350 419539965 /nfs/dbraw/zinc/53/99/65/419539965.db2.gz ZNJBWMITYWUNER-HOTGVXAUSA-N 2 2 291.414 3.134 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658079416 419547943 /nfs/dbraw/zinc/54/79/43/419547943.db2.gz YWWCPBMBNBIMOP-XCRHUMRWSA-N 2 2 290.426 3.219 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658079416 419547955 /nfs/dbraw/zinc/54/79/55/419547955.db2.gz YWWCPBMBNBIMOP-XCRHUMRWSA-N 2 2 290.426 3.219 20 0 CGADLP CC1(C)C[C@]1([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000663341257 419564522 /nfs/dbraw/zinc/56/45/22/419564522.db2.gz NRBXPWPCUMRNDO-SFHVURJKSA-N 2 2 281.403 3.244 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095818 419574608 /nfs/dbraw/zinc/57/46/08/419574608.db2.gz MMVMBFXLUXJNCA-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095818 419574614 /nfs/dbraw/zinc/57/46/14/419574614.db2.gz MMVMBFXLUXJNCA-QWRGUYRKSA-N 2 2 266.351 3.180 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658097183 419578910 /nfs/dbraw/zinc/57/89/10/419578910.db2.gz VQFRJZVWGWYWBA-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658097183 419578921 /nfs/dbraw/zinc/57/89/21/419578921.db2.gz VQFRJZVWGWYWBA-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000663659768 419664977 /nfs/dbraw/zinc/66/49/77/419664977.db2.gz FNWRIGPHMFJQQC-ZYHUDNBSSA-N 2 2 287.329 3.303 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000663659768 419664980 /nfs/dbraw/zinc/66/49/80/419664980.db2.gz FNWRIGPHMFJQQC-ZYHUDNBSSA-N 2 2 287.329 3.303 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N(C)CCCn2cc[nH+]c2)[nH+]1 ZINC000663725452 419695325 /nfs/dbraw/zinc/69/53/25/419695325.db2.gz BWKFRNOKPDVYKC-UHFFFAOYSA-N 2 2 298.312 3.132 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000658284916 419732023 /nfs/dbraw/zinc/73/20/23/419732023.db2.gz HXCZOEYFIBJORT-RDJZCZTQSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000658284916 419732027 /nfs/dbraw/zinc/73/20/27/419732027.db2.gz HXCZOEYFIBJORT-RDJZCZTQSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2cccs2)C1 ZINC000658288253 419736353 /nfs/dbraw/zinc/73/63/53/419736353.db2.gz SCFSHJKYPSQIBN-ZIAGYGMSSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)Cc2cccs2)C1 ZINC000658288253 419736361 /nfs/dbraw/zinc/73/63/61/419736361.db2.gz SCFSHJKYPSQIBN-ZIAGYGMSSA-N 2 2 266.454 3.143 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295791 419745173 /nfs/dbraw/zinc/74/51/73/419745173.db2.gz ONLRPRZNPDSMHJ-CIRFHOKZSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000664138062 419839062 /nfs/dbraw/zinc/83/90/62/419839062.db2.gz HBELTEIOFOPQCD-ZDUSSCGKSA-N 2 2 288.439 3.195 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000664138062 419839070 /nfs/dbraw/zinc/83/90/70/419839070.db2.gz HBELTEIOFOPQCD-ZDUSSCGKSA-N 2 2 288.439 3.195 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000390585726 262223808 /nfs/dbraw/zinc/22/38/08/262223808.db2.gz MIVYCGWPIJFNDN-QZTJIDSGSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000390585726 262223809 /nfs/dbraw/zinc/22/38/09/262223809.db2.gz MIVYCGWPIJFNDN-QZTJIDSGSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000184535152 262286222 /nfs/dbraw/zinc/28/62/22/262286222.db2.gz SWJYBYHNLNEMAQ-GOSISDBHSA-N 2 2 285.435 3.261 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000184535152 262286223 /nfs/dbraw/zinc/28/62/23/262286223.db2.gz SWJYBYHNLNEMAQ-GOSISDBHSA-N 2 2 285.435 3.261 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391197468 262388841 /nfs/dbraw/zinc/38/88/41/262388841.db2.gz NAQBNOGSJZSHDP-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391197468 262388843 /nfs/dbraw/zinc/38/88/43/262388843.db2.gz NAQBNOGSJZSHDP-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035259011 270027513 /nfs/dbraw/zinc/02/75/13/270027513.db2.gz XWWOWHPXUPTFPF-MAUKXSAKSA-N 2 2 272.436 3.008 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000037167225 270028688 /nfs/dbraw/zinc/02/86/88/270028688.db2.gz UUNUWLODKNRROD-ABHNRTSZSA-N 2 2 274.452 3.499 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000037240824 270029248 /nfs/dbraw/zinc/02/92/48/270029248.db2.gz AAPZGBVNZWGANN-DOTOQJQBSA-N 2 2 292.467 3.192 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771340 270030350 /nfs/dbraw/zinc/03/03/50/270030350.db2.gz QPEWXYIFBWLWEX-KRWDZBQOSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1ccc(C)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353325 270035338 /nfs/dbraw/zinc/03/53/38/270035338.db2.gz UVLKWVMQFCJIMT-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094588 270038166 /nfs/dbraw/zinc/03/81/66/270038166.db2.gz AOSILYHTHHFTHO-OAHLLOKOSA-N 2 2 257.381 3.323 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)n2c1 ZINC000180367960 270053840 /nfs/dbraw/zinc/05/38/40/270053840.db2.gz DEJIXYWUSYZJDJ-CQSZACIVSA-N 2 2 287.407 3.078 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175598 265350885 /nfs/dbraw/zinc/35/08/85/265350885.db2.gz QQMXOHHDMQKNKR-MNOVXSKESA-N 2 2 293.461 3.183 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175598 265350887 /nfs/dbraw/zinc/35/08/87/265350887.db2.gz QQMXOHHDMQKNKR-MNOVXSKESA-N 2 2 293.461 3.183 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000186239880 270065318 /nfs/dbraw/zinc/06/53/18/270065318.db2.gz WPGLTHZAGOOKBD-STQMWFEESA-N 2 2 293.480 3.401 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000186239880 270065319 /nfs/dbraw/zinc/06/53/19/270065319.db2.gz WPGLTHZAGOOKBD-STQMWFEESA-N 2 2 293.480 3.401 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1nc(C)cs1 ZINC000191824488 270076452 /nfs/dbraw/zinc/07/64/52/270076452.db2.gz OEBBAOKJYQBQGO-ZDUSSCGKSA-N 2 2 269.458 3.224 20 0 CGADLP Clc1ccsc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000192997879 270078357 /nfs/dbraw/zinc/07/83/57/270078357.db2.gz PNNHQXWHCGFCQV-UHFFFAOYSA-N 2 2 291.807 3.382 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000193937014 270080530 /nfs/dbraw/zinc/08/05/30/270080530.db2.gz QXBKVIDXFWYWOT-OAHLLOKOSA-N 2 2 298.858 3.205 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000224606261 270086672 /nfs/dbraw/zinc/08/66/72/270086672.db2.gz MDDHABDEOLYOSC-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000224606261 270086673 /nfs/dbraw/zinc/08/66/73/270086673.db2.gz MDDHABDEOLYOSC-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP Cc1occc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000321153135 270093218 /nfs/dbraw/zinc/09/32/18/270093218.db2.gz ZNBPNPDKVVCJFB-SFHVURJKSA-N 2 2 284.403 3.342 20 0 CGADLP Cc1occc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000321153135 270093219 /nfs/dbraw/zinc/09/32/19/270093219.db2.gz ZNBPNPDKVVCJFB-SFHVURJKSA-N 2 2 284.403 3.342 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000324889423 270094795 /nfs/dbraw/zinc/09/47/95/270094795.db2.gz FZLAQTFMKNTVOM-XPKDYRNWSA-N 2 2 250.430 3.170 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000324889423 270094796 /nfs/dbraw/zinc/09/47/96/270094796.db2.gz FZLAQTFMKNTVOM-XPKDYRNWSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)c3ccccc23)n1C ZINC000520839905 270099235 /nfs/dbraw/zinc/09/92/35/270099235.db2.gz WSDIPDPHJFJFNF-UHFFFAOYSA-N 2 2 279.387 3.480 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(Cl)c1 ZINC000521055155 270100091 /nfs/dbraw/zinc/10/00/91/270100091.db2.gz XUACIHICNVNPJN-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(Cl)c1 ZINC000521055155 270100092 /nfs/dbraw/zinc/10/00/92/270100092.db2.gz XUACIHICNVNPJN-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(Cl)c1 ZINC000521055155 270100093 /nfs/dbraw/zinc/10/00/93/270100093.db2.gz XUACIHICNVNPJN-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(Cl)c1 ZINC000521055155 270100094 /nfs/dbraw/zinc/10/00/94/270100094.db2.gz XUACIHICNVNPJN-XJKSGUPXSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000524771439 270114872 /nfs/dbraw/zinc/11/48/72/270114872.db2.gz PRVJYLCLAUMQBU-HNNXBMFYSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000524771439 270114873 /nfs/dbraw/zinc/11/48/73/270114873.db2.gz PRVJYLCLAUMQBU-HNNXBMFYSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751673 270134378 /nfs/dbraw/zinc/13/43/78/270134378.db2.gz KIADWSHHOKXZAR-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751673 270134379 /nfs/dbraw/zinc/13/43/79/270134379.db2.gz KIADWSHHOKXZAR-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000527805760 270137245 /nfs/dbraw/zinc/13/72/45/270137245.db2.gz HVBWLJKATGPFNN-HKUYNNGSSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC000527805760 270137246 /nfs/dbraw/zinc/13/72/46/270137246.db2.gz HVBWLJKATGPFNN-HKUYNNGSSA-N 2 2 284.447 3.150 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527864610 270140458 /nfs/dbraw/zinc/14/04/58/270140458.db2.gz LIOUXPUIIHXZKE-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527864610 270140459 /nfs/dbraw/zinc/14/04/59/270140459.db2.gz LIOUXPUIIHXZKE-KFWWJZLASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC12CC2 ZINC000527846592 270139572 /nfs/dbraw/zinc/13/95/72/270139572.db2.gz GZOFEIDFDBXWQI-RHSMWYFYSA-N 2 2 281.403 3.210 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000527893928 270142400 /nfs/dbraw/zinc/14/24/00/270142400.db2.gz RKXFLVJMBXNEOQ-SJORKVTESA-N 2 2 283.419 3.199 20 0 CGADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951966 270146281 /nfs/dbraw/zinc/14/62/81/270146281.db2.gz SEYFQPFAZWFLCU-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527951966 270146282 /nfs/dbraw/zinc/14/62/82/270146282.db2.gz SEYFQPFAZWFLCU-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527999275 270149610 /nfs/dbraw/zinc/14/96/10/270149610.db2.gz GFJVLXVMIOELBF-PIMMBPRGSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527999275 270149611 /nfs/dbraw/zinc/14/96/11/270149611.db2.gz GFJVLXVMIOELBF-PIMMBPRGSA-N 2 2 286.410 3.417 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528000090 270149829 /nfs/dbraw/zinc/14/98/29/270149829.db2.gz IQYRKPGMSMDHTI-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528000090 270149830 /nfs/dbraw/zinc/14/98/30/270149830.db2.gz IQYRKPGMSMDHTI-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[C@@H]1C ZINC000528004854 270150531 /nfs/dbraw/zinc/15/05/31/270150531.db2.gz XVWUOINKYXZJFR-TUUVXOQKSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@@H]1C ZINC000528004854 270150532 /nfs/dbraw/zinc/15/05/32/270150532.db2.gz XVWUOINKYXZJFR-TUUVXOQKSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528004720 270150623 /nfs/dbraw/zinc/15/06/23/270150623.db2.gz WRTJGNILQJWRGI-RHSMWYFYSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528004720 270150624 /nfs/dbraw/zinc/15/06/24/270150624.db2.gz WRTJGNILQJWRGI-RHSMWYFYSA-N 2 2 273.424 3.058 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528006869 270150663 /nfs/dbraw/zinc/15/06/63/270150663.db2.gz XDEAJKMLUSSPOZ-JSEZXORMSA-N 2 2 299.418 3.335 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528007083 270150670 /nfs/dbraw/zinc/15/06/70/270150670.db2.gz BGKYEXJIDSQFQS-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528007083 270150671 /nfs/dbraw/zinc/15/06/71/270150671.db2.gz BGKYEXJIDSQFQS-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528006873 270150898 /nfs/dbraw/zinc/15/08/98/270150898.db2.gz XDEAJKMLUSSPOZ-PQKJENKHSA-N 2 2 299.418 3.335 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528012139 270151028 /nfs/dbraw/zinc/15/10/28/270151028.db2.gz OCVUHFZGLDGPKL-ZBFHGGJFSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528012139 270151029 /nfs/dbraw/zinc/15/10/29/270151029.db2.gz OCVUHFZGLDGPKL-ZBFHGGJFSA-N 2 2 276.424 3.207 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000528011980 270151120 /nfs/dbraw/zinc/15/11/20/270151120.db2.gz NDWUBMMVURNLLQ-MSOLQXFVSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccnc1 ZINC000528011980 270151121 /nfs/dbraw/zinc/15/11/21/270151121.db2.gz NDWUBMMVURNLLQ-MSOLQXFVSA-N 2 2 287.451 3.385 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015533 270151619 /nfs/dbraw/zinc/15/16/19/270151619.db2.gz YPCPDVYYFPICBZ-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015533 270151620 /nfs/dbraw/zinc/15/16/20/270151620.db2.gz YPCPDVYYFPICBZ-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015917 270151696 /nfs/dbraw/zinc/15/16/96/270151696.db2.gz ZZNKWFXCZLQUBE-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015917 270151697 /nfs/dbraw/zinc/15/16/97/270151697.db2.gz ZZNKWFXCZLQUBE-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000529535510 270183337 /nfs/dbraw/zinc/18/33/37/270183337.db2.gz IQZUHKOYEJSLMY-LBPRGKRZSA-N 2 2 274.399 3.274 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216958 270195591 /nfs/dbraw/zinc/19/55/91/270195591.db2.gz DRFNJNLXGHIPCZ-BBRMVZONSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217875 270195978 /nfs/dbraw/zinc/19/59/78/270195978.db2.gz HUQIFHOEQYYIFR-RISCZKNCSA-N 2 2 264.800 3.275 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217857 270196189 /nfs/dbraw/zinc/19/61/89/270196189.db2.gz HRQQAIFSRAUVDS-YOEHRIQHSA-N 2 2 288.435 3.411 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530219442 270196242 /nfs/dbraw/zinc/19/62/42/270196242.db2.gz LSXJKVDAKLGPJS-IRXDYDNUSA-N 2 2 270.420 3.247 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530219436 270196254 /nfs/dbraw/zinc/19/62/54/270196254.db2.gz LSXJKVDAKLGPJS-DLBZAZTESA-N 2 2 270.420 3.247 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000531946892 270211116 /nfs/dbraw/zinc/21/11/16/270211116.db2.gz MQSYEFSWUHIWKR-MRXNPFEDSA-N 2 2 252.446 3.443 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531951335 270211205 /nfs/dbraw/zinc/21/12/05/270211205.db2.gz FINYYCFYROZKHG-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531951335 270211206 /nfs/dbraw/zinc/21/12/06/270211206.db2.gz FINYYCFYROZKHG-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000531952411 270211215 /nfs/dbraw/zinc/21/12/15/270211215.db2.gz XNSBBLVKAOIGAJ-INMHGKMJSA-N 2 2 274.452 3.283 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000531952411 270211216 /nfs/dbraw/zinc/21/12/16/270211216.db2.gz XNSBBLVKAOIGAJ-INMHGKMJSA-N 2 2 274.452 3.283 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000531975720 270211885 /nfs/dbraw/zinc/21/18/85/270211885.db2.gz SKMTZVNXTWKUME-FMKPAKJESA-N 2 2 252.446 3.274 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983883 270212264 /nfs/dbraw/zinc/21/22/64/270212264.db2.gz HUZMDCWLORVGBU-IAGOWNOFSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983883 270212265 /nfs/dbraw/zinc/21/22/65/270212265.db2.gz HUZMDCWLORVGBU-IAGOWNOFSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984540 270212269 /nfs/dbraw/zinc/21/22/69/270212269.db2.gz KCXMKWFLJNENMY-NVXWUHKLSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984540 270212270 /nfs/dbraw/zinc/21/22/70/270212270.db2.gz KCXMKWFLJNENMY-NVXWUHKLSA-N 2 2 288.435 3.140 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532501110 270216342 /nfs/dbraw/zinc/21/63/42/270216342.db2.gz HHEFJYQMXLAGHC-FMKPAKJESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532501110 270216343 /nfs/dbraw/zinc/21/63/43/270216343.db2.gz HHEFJYQMXLAGHC-FMKPAKJESA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000532530762 270217212 /nfs/dbraw/zinc/21/72/12/270217212.db2.gz OGCAWZNSVRETDA-JSGCOSHPSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000532530762 270217213 /nfs/dbraw/zinc/21/72/13/270217213.db2.gz OGCAWZNSVRETDA-JSGCOSHPSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)S1 ZINC000532969071 270220208 /nfs/dbraw/zinc/22/02/08/270220208.db2.gz BUUTYCGFVNUXJS-KBPBESRZSA-N 2 2 287.432 3.198 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442790922 273515892 /nfs/dbraw/zinc/51/58/92/273515892.db2.gz KAFDCBOUUDDLTD-CABCVRRESA-N 2 2 299.462 3.201 20 0 CGADLP CCC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000070143323 273617547 /nfs/dbraw/zinc/61/75/47/273617547.db2.gz BXDMOVHCPXSGIO-MRXNPFEDSA-N 2 2 286.423 3.117 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423388281 273973811 /nfs/dbraw/zinc/97/38/11/273973811.db2.gz KKBHPNUTQYUTHQ-AMIZOPFISA-N 2 2 273.207 3.178 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2sccc21 ZINC000423230198 274318122 /nfs/dbraw/zinc/31/81/22/274318122.db2.gz CWIRZFKUXGDQIF-WZRBSPASSA-N 2 2 250.411 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248533136 274518636 /nfs/dbraw/zinc/51/86/36/274518636.db2.gz SGMMNKUYJZDFRQ-GRDNDAEWSA-N 2 2 285.391 3.090 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000415072036 274911373 /nfs/dbraw/zinc/91/13/73/274911373.db2.gz VECAEHNBBJPEFJ-LBPRGKRZSA-N 2 2 290.304 3.076 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685201 276045291 /nfs/dbraw/zinc/04/52/91/276045291.db2.gz ONOVYLJIHDTIQM-WBVHZDCISA-N 2 2 258.409 3.354 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685201 276045293 /nfs/dbraw/zinc/04/52/93/276045293.db2.gz ONOVYLJIHDTIQM-WBVHZDCISA-N 2 2 258.409 3.354 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000515203582 276118132 /nfs/dbraw/zinc/11/81/32/276118132.db2.gz PTCDFJWLDCDVIQ-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000515203582 276118133 /nfs/dbraw/zinc/11/81/33/276118133.db2.gz PTCDFJWLDCDVIQ-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360249710 276179153 /nfs/dbraw/zinc/17/91/53/276179153.db2.gz MYWWZOYXPMKUPH-PVUWLOKVSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360249710 276179154 /nfs/dbraw/zinc/17/91/54/276179154.db2.gz MYWWZOYXPMKUPH-PVUWLOKVSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510701333 276187736 /nfs/dbraw/zinc/18/77/36/276187736.db2.gz HKPAZRBLWWXROF-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510701333 276187739 /nfs/dbraw/zinc/18/77/39/276187739.db2.gz HKPAZRBLWWXROF-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@H]21 ZINC000268847643 277084381 /nfs/dbraw/zinc/08/43/81/277084381.db2.gz PZPXCGAYLHDSDG-WCQYABFASA-N 2 2 299.340 3.021 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@H]21 ZINC000268847643 277084383 /nfs/dbraw/zinc/08/43/83/277084383.db2.gz PZPXCGAYLHDSDG-WCQYABFASA-N 2 2 299.340 3.021 20 0 CGADLP C[NH2+]CCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000435876266 277267663 /nfs/dbraw/zinc/26/76/63/277267663.db2.gz HTQPJCUWQAUWGZ-UHFFFAOYSA-N 2 2 266.388 3.279 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423024222 277629121 /nfs/dbraw/zinc/62/91/21/277629121.db2.gz IRSQVPKXXWXEDA-KCPJHIHWSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423542389 277632345 /nfs/dbraw/zinc/63/23/45/277632345.db2.gz AUVJOILJFSEGLI-YPMHNXCESA-N 2 2 264.438 3.030 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CS1 ZINC000488542422 277817516 /nfs/dbraw/zinc/81/75/16/277817516.db2.gz ZPSAXAQULZYADD-OAGGEKHMSA-N 2 2 284.513 3.371 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000394765488 288003947 /nfs/dbraw/zinc/00/39/47/288003947.db2.gz IMFSZAAMOMMAJG-OAHLLOKOSA-N 2 2 250.430 3.175 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000395009305 288005266 /nfs/dbraw/zinc/00/52/66/288005266.db2.gz LAYAVYGLKVTOPQ-CYGHRXIMSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000395170494 288006729 /nfs/dbraw/zinc/00/67/29/288006729.db2.gz HKHCMLCTRXMOKL-GOEBONIOSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000395170494 288006731 /nfs/dbraw/zinc/00/67/31/288006731.db2.gz HKHCMLCTRXMOKL-GOEBONIOSA-N 2 2 272.436 3.428 20 0 CGADLP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352090563 278164964 /nfs/dbraw/zinc/16/49/64/278164964.db2.gz ADEVFODGUUYPMC-ADDHZHGLSA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C/CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352090563 278164965 /nfs/dbraw/zinc/16/49/65/278164965.db2.gz ADEVFODGUUYPMC-ADDHZHGLSA-N 2 2 258.409 3.378 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000359969098 278168462 /nfs/dbraw/zinc/16/84/62/278168462.db2.gz FTIVSJFDPWYUHC-GRYCIOLGSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000359969098 278168464 /nfs/dbraw/zinc/16/84/64/278168464.db2.gz FTIVSJFDPWYUHC-GRYCIOLGSA-N 2 2 266.351 3.180 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000397302131 288022605 /nfs/dbraw/zinc/02/26/05/288022605.db2.gz GLTDDQPEDCEVNI-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000397302131 288022606 /nfs/dbraw/zinc/02/26/06/288022606.db2.gz GLTDDQPEDCEVNI-UPJWGTAASA-N 2 2 295.496 3.246 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000397892250 288033918 /nfs/dbraw/zinc/03/39/18/288033918.db2.gz NGURNYQDRHWETK-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)ccc1F ZINC000423532410 278366411 /nfs/dbraw/zinc/36/64/11/278366411.db2.gz RCEHHOKXQVGTNI-BMIGLBTASA-N 2 2 268.351 3.133 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000414700258 278369880 /nfs/dbraw/zinc/36/98/80/278369880.db2.gz FYOCYJAKGGZQHB-UHFFFAOYSA-N 2 2 270.486 3.126 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCSC2(CCCCC2)C1 ZINC000414700258 278369884 /nfs/dbraw/zinc/36/98/84/278369884.db2.gz FYOCYJAKGGZQHB-UHFFFAOYSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@H]1CCCC[NH2+]1 ZINC000423091054 278371505 /nfs/dbraw/zinc/37/15/05/278371505.db2.gz ZBQSSBXIOWXQPV-CSMYWGQOSA-N 2 2 276.399 3.323 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000459406947 288090630 /nfs/dbraw/zinc/09/06/30/288090630.db2.gz KUKUFEGRXSZKCD-OAGJVSPASA-N 2 2 281.403 3.140 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000459406947 288090632 /nfs/dbraw/zinc/09/06/32/288090632.db2.gz KUKUFEGRXSZKCD-OAGJVSPASA-N 2 2 281.403 3.140 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC[NH3+] ZINC000262999631 279063501 /nfs/dbraw/zinc/06/35/01/279063501.db2.gz OQBRYQMDIXZWGX-LBPRGKRZSA-N 2 2 275.421 3.070 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC[NH3+] ZINC000262999631 279063503 /nfs/dbraw/zinc/06/35/03/279063503.db2.gz OQBRYQMDIXZWGX-LBPRGKRZSA-N 2 2 275.421 3.070 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348260961 279130291 /nfs/dbraw/zinc/13/02/91/279130291.db2.gz FQHJIHJLJMKACJ-OCCSQVGLSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348260961 279130292 /nfs/dbraw/zinc/13/02/92/279130292.db2.gz FQHJIHJLJMKACJ-OCCSQVGLSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000348260961 279130293 /nfs/dbraw/zinc/13/02/93/279130293.db2.gz FQHJIHJLJMKACJ-OCCSQVGLSA-N 2 2 294.389 3.368 20 0 CGADLP C[C@@H]1c2cc(F)cc(F)c2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000348260961 279130295 /nfs/dbraw/zinc/13/02/95/279130295.db2.gz FQHJIHJLJMKACJ-OCCSQVGLSA-N 2 2 294.389 3.368 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224278083 279147764 /nfs/dbraw/zinc/14/77/64/279147764.db2.gz MNSIHPJNHGNGPY-RDJZCZTQSA-N 2 2 292.492 3.412 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]Cc2ccnc(C)c2)[NH+](C)C)cc1 ZINC000527628431 288176759 /nfs/dbraw/zinc/17/67/59/288176759.db2.gz AIRRHDURAJJJBD-LJQANCHMSA-N 2 2 297.446 3.345 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)ccn1 ZINC000527629486 288177241 /nfs/dbraw/zinc/17/72/41/288177241.db2.gz NTKXMSQJNUVPKV-LJQANCHMSA-N 2 2 295.430 3.317 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527630888 288177365 /nfs/dbraw/zinc/17/73/65/288177365.db2.gz BOBCRYPJXRCTQX-KCXAZCMYSA-N 2 2 283.419 3.369 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@@H+]1C ZINC000527665840 288185965 /nfs/dbraw/zinc/18/59/65/288185965.db2.gz MDGUYEYKRVROGF-VHSXEESVSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)CC[N@H+]1C ZINC000527665840 288185968 /nfs/dbraw/zinc/18/59/68/288185968.db2.gz MDGUYEYKRVROGF-VHSXEESVSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)c2ccsc2S1 ZINC000130224957 280010094 /nfs/dbraw/zinc/01/00/94/280010094.db2.gz PNDIOSYBRYMGIU-AAEUAGOBSA-N 2 2 282.478 3.359 20 0 CGADLP CN(c1[nH+]ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528020091 288198833 /nfs/dbraw/zinc/19/88/33/288198833.db2.gz VAGZMCFUXLVGIJ-XYPWUTKMSA-N 2 2 281.403 3.296 20 0 CGADLP CN(c1[nH+]ccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528020091 288198834 /nfs/dbraw/zinc/19/88/34/288198834.db2.gz VAGZMCFUXLVGIJ-XYPWUTKMSA-N 2 2 281.403 3.296 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423234904 280629568 /nfs/dbraw/zinc/62/95/68/280629568.db2.gz MMTYTLXLWMXOIK-NVXWUHKLSA-N 2 2 288.435 3.365 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195127 281027494 /nfs/dbraw/zinc/02/74/94/281027494.db2.gz SFHGGJFLHQQOHT-CXAGYDPISA-N 2 2 283.419 3.195 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000152528125 281304927 /nfs/dbraw/zinc/30/49/27/281304927.db2.gz BNOPWKDRSJMCSP-GDBMZVCRSA-N 2 2 269.392 3.420 20 0 CGADLP Cc1ccc(CCNc2cc[nH+]c3ccccc23)c[nH+]1 ZINC000530956330 288320662 /nfs/dbraw/zinc/32/06/62/288320662.db2.gz RVXSQPRDOGCURY-UHFFFAOYSA-N 2 2 263.344 3.015 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)CCC2 ZINC000373071500 281551314 /nfs/dbraw/zinc/55/13/14/281551314.db2.gz SVZWOYMQBRZCQL-AEGPPILISA-N 2 2 275.440 3.483 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000531725618 288343450 /nfs/dbraw/zinc/34/34/50/288343450.db2.gz CVQSYFLVTNSFFH-NXHRZFHOSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000531725618 288343451 /nfs/dbraw/zinc/34/34/51/288343451.db2.gz CVQSYFLVTNSFFH-NXHRZFHOSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540710 288366269 /nfs/dbraw/zinc/36/62/69/288366269.db2.gz UJOXTPKTSVMDPZ-DNVCBOLYSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000532540710 288366273 /nfs/dbraw/zinc/36/62/73/288366273.db2.gz UJOXTPKTSVMDPZ-DNVCBOLYSA-N 2 2 298.430 3.148 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000532541047 288366299 /nfs/dbraw/zinc/36/62/99/288366299.db2.gz FEHCXLNLCZNNBF-CMKMFDCUSA-N 2 2 288.410 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000532541047 288366302 /nfs/dbraw/zinc/36/63/02/288366302.db2.gz FEHCXLNLCZNNBF-CMKMFDCUSA-N 2 2 288.410 3.131 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532540723 288366365 /nfs/dbraw/zinc/36/63/65/288366365.db2.gz XVLHIUZCRUACFT-DZKIICNBSA-N 2 2 250.430 3.194 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532540723 288366366 /nfs/dbraw/zinc/36/63/66/288366366.db2.gz XVLHIUZCRUACFT-DZKIICNBSA-N 2 2 250.430 3.194 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000543592146 288810917 /nfs/dbraw/zinc/81/09/17/288810917.db2.gz AKDHXZNFSYKLOR-INIZCTEOSA-N 2 2 272.396 3.189 20 0 CGADLP Cc1[nH+]c2cc(Nc3cc(C)[nH+]c(C)n3)ccc2n1C ZINC000548365477 289000966 /nfs/dbraw/zinc/00/09/66/289000966.db2.gz BHCKFNRQAHCLIQ-UHFFFAOYSA-N 2 2 267.336 3.032 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000550934389 289091816 /nfs/dbraw/zinc/09/18/16/289091816.db2.gz BUYAMVUVBKEAEC-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000550934389 289091817 /nfs/dbraw/zinc/09/18/17/289091817.db2.gz BUYAMVUVBKEAEC-RYQLBKOJSA-N 2 2 294.483 3.331 20 0 CGADLP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)on1 ZINC000551052209 289097033 /nfs/dbraw/zinc/09/70/33/289097033.db2.gz WZZFKBKUAYGHHB-AEFFLSMTSA-N 2 2 299.418 3.162 20 0 CGADLP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)on1 ZINC000551052209 289097036 /nfs/dbraw/zinc/09/70/36/289097036.db2.gz WZZFKBKUAYGHHB-AEFFLSMTSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@@H+]1C1CC1 ZINC000552568525 289193226 /nfs/dbraw/zinc/19/32/26/289193226.db2.gz OYMOISSNSUJIET-RISCZKNCSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@H+]1C1CC1 ZINC000552568525 289193227 /nfs/dbraw/zinc/19/32/27/289193227.db2.gz OYMOISSNSUJIET-RISCZKNCSA-N 2 2 296.817 3.236 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000554050696 289253526 /nfs/dbraw/zinc/25/35/26/289253526.db2.gz SVVKMLOELOKULY-CABCVRRESA-N 2 2 282.497 3.126 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC000554717623 289302424 /nfs/dbraw/zinc/30/24/24/289302424.db2.gz CGYXGRNJKOHWEF-KSZLIROESA-N 2 2 295.430 3.252 20 0 CGADLP COC[C@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000348706742 293034618 /nfs/dbraw/zinc/03/46/18/293034618.db2.gz USISYSLQRZIINJ-MAUKXSAKSA-N 2 2 292.467 3.112 20 0 CGADLP FC(F)(F)C1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000085126117 294660469 /nfs/dbraw/zinc/66/04/69/294660469.db2.gz ZBUUDDFYGZSRQV-UHFFFAOYSA-N 2 2 278.362 3.183 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000414796744 295251177 /nfs/dbraw/zinc/25/11/77/295251177.db2.gz HZWHONRBDQMQKE-ARFHVFGLSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCO2 ZINC000154617173 301210078 /nfs/dbraw/zinc/21/00/78/301210078.db2.gz UCUCDGIINMVHKM-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCO2 ZINC000154617173 301210081 /nfs/dbraw/zinc/21/00/81/301210081.db2.gz UCUCDGIINMVHKM-RDJZCZTQSA-N 2 2 288.435 3.201 20 0 CGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000153823670 321728233 /nfs/dbraw/zinc/72/82/33/321728233.db2.gz HUJWSBKSECIPMO-HNNXBMFYSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)n1C ZINC000563439295 321998318 /nfs/dbraw/zinc/99/83/18/321998318.db2.gz LBZNIRZYSRQJER-KRWDZBQOSA-N 2 2 269.392 3.360 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CCC1 ZINC000563518936 322001527 /nfs/dbraw/zinc/00/15/27/322001527.db2.gz VVXSPZNKGKAAKG-UHFFFAOYSA-N 2 2 279.453 3.162 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000564236123 322024070 /nfs/dbraw/zinc/02/40/70/322024070.db2.gz DYDHINAMKJFIDK-GOSISDBHSA-N 2 2 286.394 3.261 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000566092345 322104074 /nfs/dbraw/zinc/10/40/74/322104074.db2.gz BVNYDAJEHMYBQY-XOKHGSTOSA-N 2 2 258.409 3.042 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCC34CC4)c2)c[nH+]1 ZINC000567180297 322153348 /nfs/dbraw/zinc/15/33/48/322153348.db2.gz FFFCNRZWBXPHLW-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccoc1 ZINC000567344216 322159779 /nfs/dbraw/zinc/15/97/79/322159779.db2.gz DWDMIPCIKRFQIF-WBMJQRKESA-N 2 2 258.365 3.193 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000568277551 322203326 /nfs/dbraw/zinc/20/33/26/322203326.db2.gz YZEQKHBQTIMKAM-WWDZGPRUSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccccc12 ZINC000568768110 322222375 /nfs/dbraw/zinc/22/23/75/322222375.db2.gz GLMLMHSLCMXRLP-ZIAGYGMSSA-N 2 2 287.407 3.228 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000568880133 322226007 /nfs/dbraw/zinc/22/60/07/322226007.db2.gz NBXCDNGPORHEIV-CQSZACIVSA-N 2 2 291.345 3.347 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000568880132 322225993 /nfs/dbraw/zinc/22/59/93/322225993.db2.gz NBXCDNGPORHEIV-AWEZNQCLSA-N 2 2 291.345 3.347 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000568880132 322225995 /nfs/dbraw/zinc/22/59/95/322225995.db2.gz NBXCDNGPORHEIV-AWEZNQCLSA-N 2 2 291.345 3.347 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000568880133 322226011 /nfs/dbraw/zinc/22/60/11/322226011.db2.gz NBXCDNGPORHEIV-CQSZACIVSA-N 2 2 291.345 3.347 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H](C)O)[NH2+][C@@H](C)c1ccccc1 ZINC000568990356 322230406 /nfs/dbraw/zinc/23/04/06/322230406.db2.gz BLBZYPKJPFQQTM-KYHPRHEASA-N 2 2 292.467 3.111 20 0 CGADLP CCC[NH+]1CCC(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000569191496 322238777 /nfs/dbraw/zinc/23/87/77/322238777.db2.gz RSDVVZJZEPMILH-UHFFFAOYSA-N 2 2 283.419 3.191 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000570222444 322268194 /nfs/dbraw/zinc/26/81/94/322268194.db2.gz OATZLNZGNLIVTB-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000570222444 322268196 /nfs/dbraw/zinc/26/81/96/322268196.db2.gz OATZLNZGNLIVTB-ILXRZTDVSA-N 2 2 288.435 3.279 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278799 322329122 /nfs/dbraw/zinc/32/91/22/322329122.db2.gz CNKCVCVBPZVUDG-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)C ZINC000572278799 322329125 /nfs/dbraw/zinc/32/91/25/322329125.db2.gz CNKCVCVBPZVUDG-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2noc3ccccc23)c[nH+]1 ZINC000572303567 322330567 /nfs/dbraw/zinc/33/05/67/322330567.db2.gz NZGLGKACNZZIQF-UHFFFAOYSA-N 2 2 281.359 3.254 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502949 322391196 /nfs/dbraw/zinc/39/11/96/322391196.db2.gz KHJSXHIEUCFERW-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573502949 322391197 /nfs/dbraw/zinc/39/11/97/322391197.db2.gz KHJSXHIEUCFERW-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378213 329307137 /nfs/dbraw/zinc/30/71/37/329307137.db2.gz BGHPVFVJSAWPRA-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378213 329307138 /nfs/dbraw/zinc/30/71/38/329307138.db2.gz BGHPVFVJSAWPRA-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378213 329307139 /nfs/dbraw/zinc/30/71/39/329307139.db2.gz BGHPVFVJSAWPRA-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)cc(Cl)c2)C1 ZINC000584378213 329307140 /nfs/dbraw/zinc/30/71/40/329307140.db2.gz BGHPVFVJSAWPRA-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+](C)Cc1ccccc1 ZINC000576479852 335210313 /nfs/dbraw/zinc/21/03/13/335210313.db2.gz IRZDDAUVAFEADJ-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+](C)Cc1ccccc1 ZINC000576479852 335210314 /nfs/dbraw/zinc/21/03/14/335210314.db2.gz IRZDDAUVAFEADJ-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000576814009 335250418 /nfs/dbraw/zinc/25/04/18/335250418.db2.gz AJGKJQRAJNUMGP-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590853 335375330 /nfs/dbraw/zinc/37/53/30/335375330.db2.gz HBLNPXJEGMPICN-UKRRQHHQSA-N 2 2 285.391 3.390 20 0 CGADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@@H]21 ZINC000577746616 335396287 /nfs/dbraw/zinc/39/62/87/335396287.db2.gz ZVHLJXDPYNCBJG-PBHICJAKSA-N 2 2 299.393 3.294 20 0 CGADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@@H]21 ZINC000577746616 335396289 /nfs/dbraw/zinc/39/62/89/335396289.db2.gz ZVHLJXDPYNCBJG-PBHICJAKSA-N 2 2 299.393 3.294 20 0 CGADLP CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000579223563 335723072 /nfs/dbraw/zinc/72/30/72/335723072.db2.gz BFPDUEFDDRACBH-NJAFHUGGSA-N 2 2 292.467 3.065 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000581254615 336032925 /nfs/dbraw/zinc/03/29/25/336032925.db2.gz OFYUNKRAUISVFM-LSDHHAIUSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000581254615 336032927 /nfs/dbraw/zinc/03/29/27/336032927.db2.gz OFYUNKRAUISVFM-LSDHHAIUSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000383588489 336114477 /nfs/dbraw/zinc/11/44/77/336114477.db2.gz NKBVAEAUIJCWTA-SNVBAGLBSA-N 2 2 275.223 3.281 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000384901827 336134044 /nfs/dbraw/zinc/13/40/44/336134044.db2.gz NLYLTIMSBYDYNL-CQSZACIVSA-N 2 2 275.440 3.465 20 0 CGADLP C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385562611 336151517 /nfs/dbraw/zinc/15/15/17/336151517.db2.gz YRROJHFIGWTWEU-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000385562611 336151518 /nfs/dbraw/zinc/15/15/18/336151518.db2.gz YRROJHFIGWTWEU-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000386120163 336166530 /nfs/dbraw/zinc/16/65/30/336166530.db2.gz MYVNCCRZFRJGJV-IINYFYTJSA-N 2 2 270.779 3.099 20 0 CGADLP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000386157468 336167028 /nfs/dbraw/zinc/16/70/28/336167028.db2.gz UCCZJNMXVPSLBD-ZBFHGGJFSA-N 2 2 288.439 3.014 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423251470 533897317 /nfs/dbraw/zinc/89/73/17/533897317.db2.gz WHKYTTBDDQXOHI-ZBEGNZNMSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423339150 533897406 /nfs/dbraw/zinc/89/74/06/533897406.db2.gz ZGRBJCFAXHSJAF-FZMZJTMJSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423314466 533897769 /nfs/dbraw/zinc/89/77/69/533897769.db2.gz HHMSUSGCQGPKEY-SDBXPKJASA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1C ZINC000423407066 533963322 /nfs/dbraw/zinc/96/33/22/533963322.db2.gz VGEWGOSDAMIOND-XLQHLMKVSA-N 2 2 268.404 3.474 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000357786941 534428586 /nfs/dbraw/zinc/42/85/86/534428586.db2.gz WOMARUAHSIPOGY-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449375652 534451190 /nfs/dbraw/zinc/45/11/90/534451190.db2.gz JDXYUPLYWFVZJW-IDHHARJASA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449375652 534451197 /nfs/dbraw/zinc/45/11/97/534451197.db2.gz JDXYUPLYWFVZJW-IDHHARJASA-N 2 2 284.447 3.179 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)c1cccnc1 ZINC000184990502 520776539 /nfs/dbraw/zinc/77/65/39/520776539.db2.gz DAVIDKAVMAKYIQ-IAGOWNOFSA-N 2 2 275.440 3.387 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000084864192 521499336 /nfs/dbraw/zinc/49/93/36/521499336.db2.gz VQSJPSDPCDHMAD-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000084864192 521499342 /nfs/dbraw/zinc/49/93/42/521499342.db2.gz VQSJPSDPCDHMAD-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000084864192 521499346 /nfs/dbraw/zinc/49/93/46/521499346.db2.gz VQSJPSDPCDHMAD-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000084864192 521499354 /nfs/dbraw/zinc/49/93/54/521499354.db2.gz VQSJPSDPCDHMAD-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095181 521720456 /nfs/dbraw/zinc/72/04/56/521720456.db2.gz ZCRHULPNDARQOY-DOMZBBRYSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095181 521720457 /nfs/dbraw/zinc/72/04/57/521720457.db2.gz ZCRHULPNDARQOY-DOMZBBRYSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095181 521720458 /nfs/dbraw/zinc/72/04/58/521720458.db2.gz ZCRHULPNDARQOY-DOMZBBRYSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2F)[C@H](C)C1 ZINC000081095181 521720459 /nfs/dbraw/zinc/72/04/59/521720459.db2.gz ZCRHULPNDARQOY-DOMZBBRYSA-N 2 2 282.378 3.127 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152094131 522360299 /nfs/dbraw/zinc/36/02/99/522360299.db2.gz VEAORJFOBYXGBO-CABCVRRESA-N 2 2 271.408 3.456 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCOC1 ZINC000151707565 522700301 /nfs/dbraw/zinc/70/03/01/522700301.db2.gz CZQFQJKFSGMAFZ-LESCRADOSA-N 2 2 299.418 3.338 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC000075859888 522930078 /nfs/dbraw/zinc/93/00/78/522930078.db2.gz LWWLSEPSZVHJRE-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(Cl)c1 ZINC000075859888 522930090 /nfs/dbraw/zinc/93/00/90/522930090.db2.gz LWWLSEPSZVHJRE-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnc(Cl)c1 ZINC000075859888 522930098 /nfs/dbraw/zinc/93/00/98/522930098.db2.gz LWWLSEPSZVHJRE-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(Cl)c1 ZINC000075859888 522930104 /nfs/dbraw/zinc/93/01/04/522930104.db2.gz LWWLSEPSZVHJRE-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1cccc(NCC[N@@H+](C)Cc2ccc(F)cc2)[nH+]1 ZINC000157858370 524673605 /nfs/dbraw/zinc/67/36/05/524673605.db2.gz JMGAWTDFBNRNAA-UHFFFAOYSA-N 2 2 273.355 3.073 20 0 CGADLP Cc1cccc(NCC[N@H+](C)Cc2ccc(F)cc2)[nH+]1 ZINC000157858370 524673612 /nfs/dbraw/zinc/67/36/12/524673612.db2.gz JMGAWTDFBNRNAA-UHFFFAOYSA-N 2 2 273.355 3.073 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000339292802 524873406 /nfs/dbraw/zinc/87/34/06/524873406.db2.gz AONMHSLLNIKYNL-WFASDCNBSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000339292802 524873420 /nfs/dbraw/zinc/87/34/20/524873420.db2.gz AONMHSLLNIKYNL-WFASDCNBSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000358483377 534819343 /nfs/dbraw/zinc/81/93/43/534819343.db2.gz KXXBLVAYWCHPLQ-ZIAGYGMSSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000358483377 534819347 /nfs/dbraw/zinc/81/93/47/534819347.db2.gz KXXBLVAYWCHPLQ-ZIAGYGMSSA-N 2 2 293.480 3.194 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccccc2)o1 ZINC000155743939 525375704 /nfs/dbraw/zinc/37/57/04/525375704.db2.gz XGODCFJOEZVTJY-AWEZNQCLSA-N 2 2 281.359 3.494 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000151532346 525465182 /nfs/dbraw/zinc/46/51/82/525465182.db2.gz MFZXOFODHZBYST-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423376015 534879577 /nfs/dbraw/zinc/87/95/77/534879577.db2.gz YEJSBQSZQBMAHD-GVXVVHGQSA-N 2 2 281.469 3.224 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000368226084 526779368 /nfs/dbraw/zinc/77/93/68/526779368.db2.gz MONXSOYSYSGVMW-LLVKDONJSA-N 2 2 289.448 3.416 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000368226084 526779372 /nfs/dbraw/zinc/77/93/72/526779372.db2.gz MONXSOYSYSGVMW-LLVKDONJSA-N 2 2 289.448 3.416 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000366096633 526821831 /nfs/dbraw/zinc/82/18/31/526821831.db2.gz SDLRQYRRPHAULS-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000366096633 526821840 /nfs/dbraw/zinc/82/18/40/526821840.db2.gz SDLRQYRRPHAULS-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H]1C ZINC000086671798 527169061 /nfs/dbraw/zinc/16/90/61/527169061.db2.gz NPTRBWHHFRMUOH-OCCSQVGLSA-N 2 2 257.381 3.123 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000163911680 527194724 /nfs/dbraw/zinc/19/47/24/527194724.db2.gz WQYUMZRFLMKYII-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000163911680 527194728 /nfs/dbraw/zinc/19/47/28/527194728.db2.gz WQYUMZRFLMKYII-CYBMUJFWSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000151014440 527443401 /nfs/dbraw/zinc/44/34/01/527443401.db2.gz MPUCGBBLJCFUPM-HNNXBMFYSA-N 2 2 299.422 3.082 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccoc1 ZINC000423338111 527808080 /nfs/dbraw/zinc/80/80/80/527808080.db2.gz VQZNRBCKQCFGGY-CQSZACIVSA-N 2 2 250.386 3.228 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000414340174 527809997 /nfs/dbraw/zinc/80/99/97/527809997.db2.gz KKMZDLFAOHQNQK-CHWSQXEVSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000414340174 527810003 /nfs/dbraw/zinc/81/00/03/527810003.db2.gz KKMZDLFAOHQNQK-CHWSQXEVSA-N 2 2 264.438 3.153 20 0 CGADLP CCC1CC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423376304 527823584 /nfs/dbraw/zinc/82/35/84/527823584.db2.gz UVQCBIMXBKXAKU-WSWZPAPSSA-N 2 2 294.389 3.189 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000414129601 527883896 /nfs/dbraw/zinc/88/38/96/527883896.db2.gz VLDLXPFSSYDOMK-MSOLQXFVSA-N 2 2 283.419 3.437 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)[C@@H](C)C1 ZINC000359662063 527991559 /nfs/dbraw/zinc/99/15/59/527991559.db2.gz IVJVQPMJUCLBOA-CORIIIEPSA-N 2 2 264.438 3.129 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2cccs2)C2CC2)[C@@H](C)C1 ZINC000359662063 527991568 /nfs/dbraw/zinc/99/15/68/527991568.db2.gz IVJVQPMJUCLBOA-CORIIIEPSA-N 2 2 264.438 3.129 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000364379322 528108453 /nfs/dbraw/zinc/10/84/53/528108453.db2.gz XEIIBFRDYYQHOF-DOTOQJQBSA-N 2 2 296.418 3.349 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ncoc2-c2ccccc2)CC1 ZINC000364493494 528204791 /nfs/dbraw/zinc/20/47/91/528204791.db2.gz PMKMJVDEJMWBFC-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423360367 528208939 /nfs/dbraw/zinc/20/89/39/528208939.db2.gz LHPGWUAOJGOEFJ-JKIFEVAISA-N 2 2 276.424 3.122 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337010 528237857 /nfs/dbraw/zinc/23/78/57/528237857.db2.gz HYOXCCICOAANCR-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000414337010 528237860 /nfs/dbraw/zinc/23/78/60/528237860.db2.gz HYOXCCICOAANCR-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368103048 528242130 /nfs/dbraw/zinc/24/21/30/528242130.db2.gz RRTOHBBWXLCXJW-GJZGRUSLSA-N 2 2 269.392 3.398 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368103048 528242134 /nfs/dbraw/zinc/24/21/34/528242134.db2.gz RRTOHBBWXLCXJW-GJZGRUSLSA-N 2 2 269.392 3.398 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000359948725 528242588 /nfs/dbraw/zinc/24/25/88/528242588.db2.gz CVNHNAKPMFOLFE-ZQIUZPCESA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000359948725 528242594 /nfs/dbraw/zinc/24/25/94/528242594.db2.gz CVNHNAKPMFOLFE-ZQIUZPCESA-N 2 2 276.424 3.075 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423250592 528333869 /nfs/dbraw/zinc/33/38/69/528333869.db2.gz UQUKGOZGGYINHM-CQSZACIVSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423386975 528421967 /nfs/dbraw/zinc/42/19/67/528421967.db2.gz SFTKEZFLVREWRE-JHJVBQTASA-N 2 2 291.464 3.376 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423374094 528423480 /nfs/dbraw/zinc/42/34/80/528423480.db2.gz HRJHHZYVGHROIN-HUUCEWRRSA-N 2 2 283.419 3.397 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423318976 528474370 /nfs/dbraw/zinc/47/43/70/528474370.db2.gz LGQZVISRDOEDFQ-QMTHXVAHSA-N 2 2 282.815 3.127 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423318972 528475002 /nfs/dbraw/zinc/47/50/02/528475002.db2.gz LGQZVISRDOEDFQ-HZMBPMFUSA-N 2 2 282.815 3.127 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000427702718 528494085 /nfs/dbraw/zinc/49/40/85/528494085.db2.gz BRZRBOMIAWAXOY-MAUKXSAKSA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000427702718 528494094 /nfs/dbraw/zinc/49/40/94/528494094.db2.gz BRZRBOMIAWAXOY-MAUKXSAKSA-N 2 2 274.452 3.326 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000423307927 528512518 /nfs/dbraw/zinc/51/25/18/528512518.db2.gz ICTAAUSVGYZNEH-JTQLQIEISA-N 2 2 260.834 3.442 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000423309771 528515707 /nfs/dbraw/zinc/51/57/07/528515707.db2.gz LYSIGXRJPMWSRS-CQSZACIVSA-N 2 2 284.831 3.389 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000423318609 528516290 /nfs/dbraw/zinc/51/62/90/528516290.db2.gz ZCZLROPQRRTCSS-CQSZACIVSA-N 2 2 286.366 3.328 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414789588 528532216 /nfs/dbraw/zinc/53/22/16/528532216.db2.gz FKEUVGNNSAPDMW-NSHDSACASA-N 2 2 292.757 3.014 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Br ZINC000423264738 528534150 /nfs/dbraw/zinc/53/41/50/528534150.db2.gz QHUUPSZYNLZXOQ-MFKMUULPSA-N 2 2 285.229 3.083 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc21 ZINC000423318415 528700684 /nfs/dbraw/zinc/70/06/84/528700684.db2.gz LAIZFKOBHBXRIP-FZMZJTMJSA-N 2 2 288.391 3.219 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000359627951 528817755 /nfs/dbraw/zinc/81/77/55/528817755.db2.gz DJAPHFKJKDOQNJ-NSHDSACASA-N 2 2 288.357 3.485 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000359627951 528817758 /nfs/dbraw/zinc/81/77/58/528817758.db2.gz DJAPHFKJKDOQNJ-NSHDSACASA-N 2 2 288.357 3.485 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423296428 528821842 /nfs/dbraw/zinc/82/18/42/528821842.db2.gz GSQLQYJGQBYZAE-XJKSGUPXSA-N 2 2 292.423 3.016 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437101262 528868131 /nfs/dbraw/zinc/86/81/31/528868131.db2.gz YTRCDYBVKDBPML-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423289116 528951536 /nfs/dbraw/zinc/95/15/36/528951536.db2.gz WIHNCFWHIHIURE-KRWDZBQOSA-N 2 2 283.419 3.278 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423236526 529011660 /nfs/dbraw/zinc/01/16/60/529011660.db2.gz HMJOLILBYKBUPD-DLBZAZTESA-N 2 2 269.392 3.212 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccncc1 ZINC000423440710 529176989 /nfs/dbraw/zinc/17/69/89/529176989.db2.gz VVPIFTRSBKXKHI-MSOLQXFVSA-N 2 2 281.403 3.009 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000427893188 529203910 /nfs/dbraw/zinc/20/39/10/529203910.db2.gz HRIXGTVMRSWIOO-HUUCEWRRSA-N 2 2 261.413 3.146 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495013268 535905148 /nfs/dbraw/zinc/90/51/48/535905148.db2.gz ALQPOZCJNTYBFN-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495013268 535905151 /nfs/dbraw/zinc/90/51/51/535905151.db2.gz ALQPOZCJNTYBFN-MRXNPFEDSA-N 2 2 299.418 3.231 20 0 CGADLP Cc1[nH+]c2ccccc2c(NCc2c[nH+]cn2C)c1C ZINC000291114344 572335228 /nfs/dbraw/zinc/33/52/28/572335228.db2.gz LRBKTFWFDZQRDK-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880570 572343805 /nfs/dbraw/zinc/34/38/05/572343805.db2.gz AZFGIQPJHHQRIZ-MRRJBJDNSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225880570 572343808 /nfs/dbraw/zinc/34/38/08/572343808.db2.gz AZFGIQPJHHQRIZ-MRRJBJDNSA-N 2 2 294.389 3.490 20 0 CGADLP Cc1nc(NC2CC[NH+](CC3CCCCC3)CC2)cc[nH+]1 ZINC000742397704 572576176 /nfs/dbraw/zinc/57/61/76/572576176.db2.gz KVCFPVFYCGOFKJ-UHFFFAOYSA-N 2 2 288.439 3.242 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000735491281 572726483 /nfs/dbraw/zinc/72/64/83/572726483.db2.gz DWXFZKHLFWQXSD-ZNMIVQPWSA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[Si](C)(C)C)C1 ZINC000735491281 572726487 /nfs/dbraw/zinc/72/64/87/572726487.db2.gz DWXFZKHLFWQXSD-ZNMIVQPWSA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000735491281 572726491 /nfs/dbraw/zinc/72/64/91/572726491.db2.gz DWXFZKHLFWQXSD-ZNMIVQPWSA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000735491281 572726493 /nfs/dbraw/zinc/72/64/93/572726493.db2.gz DWXFZKHLFWQXSD-ZNMIVQPWSA-N 2 2 268.521 3.201 20 0 CGADLP COc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000077308201 617764559 /nfs/dbraw/zinc/76/45/59/617764559.db2.gz JZELCRYGDFOSQU-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP C[N@@H+](Cc1ccoc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336972 617809846 /nfs/dbraw/zinc/80/98/46/617809846.db2.gz HAGJTVLOBMQZIU-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[N@H+](Cc1ccoc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336972 617809848 /nfs/dbraw/zinc/80/98/48/617809848.db2.gz HAGJTVLOBMQZIU-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccoc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336972 617809852 /nfs/dbraw/zinc/80/98/52/617809852.db2.gz HAGJTVLOBMQZIU-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](Cc1ccoc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336972 617809854 /nfs/dbraw/zinc/80/98/54/617809854.db2.gz HAGJTVLOBMQZIU-KRWDZBQOSA-N 2 2 284.403 3.234 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926026517 617877454 /nfs/dbraw/zinc/87/74/54/617877454.db2.gz JXSIMTWLVZDYLU-IAGOWNOFSA-N 2 2 273.424 3.181 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926026517 617877457 /nfs/dbraw/zinc/87/74/57/617877457.db2.gz JXSIMTWLVZDYLU-IAGOWNOFSA-N 2 2 273.424 3.181 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924572411 618854850 /nfs/dbraw/zinc/85/48/50/618854850.db2.gz KMGFGSBKTVKYKP-STQMWFEESA-N 2 2 279.428 3.207 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000924572411 618854852 /nfs/dbraw/zinc/85/48/52/618854852.db2.gz KMGFGSBKTVKYKP-STQMWFEESA-N 2 2 279.428 3.207 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000925507507 618998637 /nfs/dbraw/zinc/99/86/37/618998637.db2.gz AAIVMZIJCPFROJ-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1 ZINC000925736127 619210689 /nfs/dbraw/zinc/21/06/89/619210689.db2.gz ZIGFNZNSYZLOBI-YPMHNXCESA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000094965817 619291065 /nfs/dbraw/zinc/29/10/65/619291065.db2.gz FYMMDYRERUVLAT-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000094965817 619291068 /nfs/dbraw/zinc/29/10/68/619291068.db2.gz FYMMDYRERUVLAT-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000261697931 619356095 /nfs/dbraw/zinc/35/60/95/619356095.db2.gz LIIPODDJESOMNJ-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000261697931 619356097 /nfs/dbraw/zinc/35/60/97/619356097.db2.gz LIIPODDJESOMNJ-CQSZACIVSA-N 2 2 293.461 3.042 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000894476591 619548819 /nfs/dbraw/zinc/54/88/19/619548819.db2.gz QKVBJKBQDWCECX-UHFFFAOYSA-N 2 2 292.814 3.070 20 0 CGADLP CC(C)CC[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000794001294 619737881 /nfs/dbraw/zinc/73/78/81/619737881.db2.gz ACKRLFMCRSZROA-UHFFFAOYSA-N 2 2 275.440 3.445 20 0 CGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377001 619815912 /nfs/dbraw/zinc/81/59/12/619815912.db2.gz DQTRRHKMNGBNIE-CJNGLKHVSA-N 2 2 293.430 3.081 20 0 CGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377001 619815914 /nfs/dbraw/zinc/81/59/14/619815914.db2.gz DQTRRHKMNGBNIE-CJNGLKHVSA-N 2 2 293.430 3.081 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401807 619821111 /nfs/dbraw/zinc/82/11/11/619821111.db2.gz CGXLVPMHBYHRMQ-SFHVURJKSA-N 2 2 299.462 3.151 20 0 CGADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2c(c1)CCCN2 ZINC000895401807 619821114 /nfs/dbraw/zinc/82/11/14/619821114.db2.gz CGXLVPMHBYHRMQ-SFHVURJKSA-N 2 2 299.462 3.151 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000895670367 619869333 /nfs/dbraw/zinc/86/93/33/619869333.db2.gz DXXVQVISVSWAGU-UHFFFAOYSA-N 2 2 298.430 3.023 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753526 620389663 /nfs/dbraw/zinc/38/96/63/620389663.db2.gz DFFXDHLMXINDDD-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000841753526 620389665 /nfs/dbraw/zinc/38/96/65/620389665.db2.gz DFFXDHLMXINDDD-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000898031985 620469459 /nfs/dbraw/zinc/46/94/59/620469459.db2.gz SDMCDJLAXZVNRU-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000898031985 620469461 /nfs/dbraw/zinc/46/94/61/620469461.db2.gz SDMCDJLAXZVNRU-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000898313438 620510983 /nfs/dbraw/zinc/51/09/83/620510983.db2.gz VMVIOFKUNWSQED-PMPSAXMXSA-N 2 2 284.488 3.146 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841059744 620548687 /nfs/dbraw/zinc/54/86/87/620548687.db2.gz WNGRHYAWGSMIJQ-MFKMUULPSA-N 2 2 286.391 3.089 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H](C)c1coc2ccccc12)C[NH+](C)C ZINC000926957423 620554691 /nfs/dbraw/zinc/55/46/91/620554691.db2.gz BMWYMEYYJCUYFH-KBPBESRZSA-N 2 2 290.407 3.050 20 0 CGADLP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000927035449 620566573 /nfs/dbraw/zinc/56/65/73/620566573.db2.gz GTQWLTZAMYPNSL-PMPSAXMXSA-N 2 2 294.508 3.411 20 0 CGADLP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000927035449 620566576 /nfs/dbraw/zinc/56/65/76/620566576.db2.gz GTQWLTZAMYPNSL-PMPSAXMXSA-N 2 2 294.508 3.411 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(O)cc(F)c1 ZINC000924711342 620571933 /nfs/dbraw/zinc/57/19/33/620571933.db2.gz GWQXQCMNFDKQBN-GFCCVEGCSA-N 2 2 292.398 3.056 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109977 620578027 /nfs/dbraw/zinc/57/80/27/620578027.db2.gz PHEXOOYDFQZDEA-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109977 620578028 /nfs/dbraw/zinc/57/80/28/620578028.db2.gz PHEXOOYDFQZDEA-WBVHZDCISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1OCc1ccccc1 ZINC000902417327 621309851 /nfs/dbraw/zinc/30/98/51/621309851.db2.gz YETYOCQDVANMKZ-HNNXBMFYSA-N 2 2 296.414 3.408 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1N(C)C ZINC000902435322 621318121 /nfs/dbraw/zinc/31/81/21/621318121.db2.gz BJGCQQOPZNVAHZ-OMWUSAIZSA-N 2 2 295.430 3.028 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000902439633 621319950 /nfs/dbraw/zinc/31/99/50/621319950.db2.gz SMSGMAATKGPQHO-RCCFBDPRSA-N 2 2 282.362 3.027 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482105 621352024 /nfs/dbraw/zinc/35/20/24/621352024.db2.gz JFJZZFZMYFDZOX-STQMWFEESA-N 2 2 252.427 3.239 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000902785488 621430915 /nfs/dbraw/zinc/43/09/15/621430915.db2.gz FYGQLPGJLRABRZ-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000902785488 621430921 /nfs/dbraw/zinc/43/09/21/621430921.db2.gz FYGQLPGJLRABRZ-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903089341 621567233 /nfs/dbraw/zinc/56/72/33/621567233.db2.gz QIQDJACQHXWJRG-IKKMQULASA-N 2 2 291.464 3.260 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903089341 621567237 /nfs/dbraw/zinc/56/72/37/621567237.db2.gz QIQDJACQHXWJRG-IKKMQULASA-N 2 2 291.464 3.260 20 0 CGADLP CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000903096184 621585670 /nfs/dbraw/zinc/58/56/70/621585670.db2.gz ANINBXZMWJEULP-BHYGNILZSA-N 2 2 290.451 3.273 20 0 CGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199479 621623997 /nfs/dbraw/zinc/62/39/97/621623997.db2.gz ZIOXFIDQLLGGRY-KBXCAEBGSA-N 2 2 299.418 3.013 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903319197 621674631 /nfs/dbraw/zinc/67/46/31/621674631.db2.gz TUNUJYBXCTVBGW-SIZVQLJJSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903319197 621674638 /nfs/dbraw/zinc/67/46/38/621674638.db2.gz TUNUJYBXCTVBGW-SIZVQLJJSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903319199 621674881 /nfs/dbraw/zinc/67/48/81/621674881.db2.gz TUNUJYBXCTVBGW-XWCCPHMRSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903319199 621674884 /nfs/dbraw/zinc/67/48/84/621674884.db2.gz TUNUJYBXCTVBGW-XWCCPHMRSA-N 2 2 299.462 3.070 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381141 621722830 /nfs/dbraw/zinc/72/28/30/621722830.db2.gz RSTYMENWXILDGP-GVDBMIGSSA-N 2 2 275.440 3.099 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858209 621821645 /nfs/dbraw/zinc/82/16/45/621821645.db2.gz HPLHACIFMIFBEJ-FUHWJXTLSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858209 621821647 /nfs/dbraw/zinc/82/16/47/621821647.db2.gz HPLHACIFMIFBEJ-FUHWJXTLSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903884160 621827056 /nfs/dbraw/zinc/82/70/56/621827056.db2.gz TVYVOSXYDGSECY-KGLIPLIRSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903884160 621827059 /nfs/dbraw/zinc/82/70/59/621827059.db2.gz TVYVOSXYDGSECY-KGLIPLIRSA-N 2 2 268.351 3.114 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000903946484 621839640 /nfs/dbraw/zinc/83/96/40/621839640.db2.gz SXNRKYNLLHWUBO-UHFFFAOYSA-N 2 2 279.453 3.114 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000903947405 621840255 /nfs/dbraw/zinc/84/02/55/621840255.db2.gz SOAMPUCATSLXMZ-UHFFFAOYSA-N 2 2 281.469 3.144 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)C(C)(C)C ZINC000904469442 621924820 /nfs/dbraw/zinc/92/48/20/621924820.db2.gz MHBQOUSGIBZHEB-ZBFHGGJFSA-N 2 2 277.456 3.440 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151664143 623553972 /nfs/dbraw/zinc/55/39/72/623553972.db2.gz BNAWVTNXAWJAGU-JSGCOSHPSA-N 2 2 273.405 3.028 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000184310275 625222340 /nfs/dbraw/zinc/22/23/40/625222340.db2.gz FXFSJNMBENFKDL-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1 ZINC000921745332 625861619 /nfs/dbraw/zinc/86/16/19/625861619.db2.gz UELPKIOGFLFFHE-CQSZACIVSA-N 2 2 299.418 3.006 20 0 CGADLP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923390697 626150207 /nfs/dbraw/zinc/15/02/07/626150207.db2.gz KKOYPKSYKLBBFQ-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP COc1ccc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923390697 626150210 /nfs/dbraw/zinc/15/02/10/626150210.db2.gz KKOYPKSYKLBBFQ-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP COC1(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCC1 ZINC000759969272 626933334 /nfs/dbraw/zinc/93/33/34/626933334.db2.gz IXMPYHJOUOFWRC-CABCVRRESA-N 2 2 293.455 3.235 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000762382706 627107727 /nfs/dbraw/zinc/10/77/27/627107727.db2.gz WKTJROHSLNUETI-RKVPGOIHSA-N 2 2 299.418 3.042 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000762382706 627107729 /nfs/dbraw/zinc/10/77/29/627107729.db2.gz WKTJROHSLNUETI-RKVPGOIHSA-N 2 2 299.418 3.042 20 0 CGADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000766215074 627304269 /nfs/dbraw/zinc/30/42/69/627304269.db2.gz BVKORGTXZOAVGO-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766272005 627309624 /nfs/dbraw/zinc/30/96/24/627309624.db2.gz IWNNXFRIZVCWJQ-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766272005 627309629 /nfs/dbraw/zinc/30/96/29/627309629.db2.gz IWNNXFRIZVCWJQ-CVEARBPZSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1 ZINC000766274926 627311683 /nfs/dbraw/zinc/31/16/83/627311683.db2.gz XDPYLQAYUOYLGN-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1 ZINC000766274926 627311684 /nfs/dbraw/zinc/31/16/84/627311684.db2.gz XDPYLQAYUOYLGN-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000766329854 627321403 /nfs/dbraw/zinc/32/14/03/627321403.db2.gz GCYLPBBPHUIMMH-HZPDHXFCSA-N 2 2 274.452 3.499 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000766515095 627339460 /nfs/dbraw/zinc/33/94/60/627339460.db2.gz OAXDGXPOAHFEHL-QGZVFWFLSA-N 2 2 281.403 3.469 20 0 CGADLP c1ccc(NCCC[NH2+]C[C@H]2CCc3ccccc32)[nH+]c1 ZINC000790056159 629181133 /nfs/dbraw/zinc/18/11/33/629181133.db2.gz UJUZELRXVUYSBN-MRXNPFEDSA-N 2 2 281.403 3.203 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc(C)c1OC(F)F ZINC000863483485 629586987 /nfs/dbraw/zinc/58/69/87/629586987.db2.gz BSAITFAQUAYOAS-JSGCOSHPSA-N 2 2 298.377 3.135 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000863543181 629601861 /nfs/dbraw/zinc/60/18/61/629601861.db2.gz LOUMEAJRDYAVMD-VNQPRFMTSA-N 2 2 276.424 3.103 20 0 CGADLP Cc1scc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1C ZINC000864054849 629750584 /nfs/dbraw/zinc/75/05/84/629750584.db2.gz BZZFPFQYWOWPRP-CQSZACIVSA-N 2 2 264.438 3.129 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)(F)CC1 ZINC000796541442 629799188 /nfs/dbraw/zinc/79/91/88/629799188.db2.gz KRJAPWABPUABIT-UHFFFAOYSA-N 2 2 291.345 3.412 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)nc(Cl)c2)CC1 ZINC000797589929 629964666 /nfs/dbraw/zinc/96/46/66/629964666.db2.gz HCHDDIJCEYWVPT-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)nc(Cl)c2)CC1 ZINC000797589929 629964668 /nfs/dbraw/zinc/96/46/68/629964668.db2.gz HCHDDIJCEYWVPT-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000808698262 630666453 /nfs/dbraw/zinc/66/64/53/630666453.db2.gz LFUWAAXDTVKSLE-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000808698262 630666456 /nfs/dbraw/zinc/66/64/56/630666456.db2.gz LFUWAAXDTVKSLE-KEYYUXOJSA-N 2 2 258.409 3.309 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000810148450 630846817 /nfs/dbraw/zinc/84/68/17/630846817.db2.gz ZSKYFPDCVHUJHJ-CWRNSKLLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000810148450 630846818 /nfs/dbraw/zinc/84/68/18/630846818.db2.gz ZSKYFPDCVHUJHJ-CWRNSKLLSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933393 632236793 /nfs/dbraw/zinc/23/67/93/632236793.db2.gz CJBSVGWGJUHNES-BXUZGUMPSA-N 2 2 299.821 3.275 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000817949886 632246516 /nfs/dbraw/zinc/24/65/16/632246516.db2.gz OSTOUSFTSBHAHT-TZMCWYRMSA-N 2 2 296.842 3.450 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000817954983 632250179 /nfs/dbraw/zinc/25/01/79/632250179.db2.gz NWFMYASUNYCPKZ-KSSFIOAISA-N 2 2 284.403 3.436 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H](C)C[NH3+])ccc1SC(F)F ZINC000817966802 632261902 /nfs/dbraw/zinc/26/19/02/632261902.db2.gz VVHJWYDFNRSKNQ-BDAKNGLRSA-N 2 2 290.379 3.008 20 0 CGADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865830620 632904322 /nfs/dbraw/zinc/90/43/22/632904322.db2.gz SDGLJZQAJPCEKE-CHWSQXEVSA-N 2 2 295.308 3.321 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)c2c1 ZINC000866208393 633029408 /nfs/dbraw/zinc/02/94/08/633029408.db2.gz ITMVUKZUFXILRU-RDJZCZTQSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000866208393 633029413 /nfs/dbraw/zinc/02/94/13/633029413.db2.gz ITMVUKZUFXILRU-RDJZCZTQSA-N 2 2 281.403 3.074 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866242106 633041613 /nfs/dbraw/zinc/04/16/13/633041613.db2.gz KQTYBPZHNSDYCZ-YJBOKZPZSA-N 2 2 297.446 3.240 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866242106 633041620 /nfs/dbraw/zinc/04/16/20/633041620.db2.gz KQTYBPZHNSDYCZ-YJBOKZPZSA-N 2 2 297.446 3.240 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000824477230 633249125 /nfs/dbraw/zinc/24/91/25/633249125.db2.gz NJIMCNWDEJCMRY-RISCZKNCSA-N 2 2 275.783 3.414 20 0 CGADLP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)C2CC2)CC1 ZINC000880255619 635958851 /nfs/dbraw/zinc/95/88/51/635958851.db2.gz RSIYXKBFJFSNIU-UHFFFAOYSA-N 2 2 292.467 3.086 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCC3CCC3)cc2)c[nH+]1 ZINC000123018012 633546567 /nfs/dbraw/zinc/54/65/67/633546567.db2.gz NIOGTOVXVNCXMD-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872021184 633942246 /nfs/dbraw/zinc/94/22/46/633942246.db2.gz OCIKEHZXGGGRJE-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872029846 633949404 /nfs/dbraw/zinc/94/94/04/633949404.db2.gz UJWBSOCPBKKUEW-ZDUSSCGKSA-N 2 2 294.414 3.446 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+](CC)C1CC1 ZINC000872031688 633950124 /nfs/dbraw/zinc/95/01/24/633950124.db2.gz STPKZAKHGQZBAD-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000872031688 633950129 /nfs/dbraw/zinc/95/01/29/633950129.db2.gz STPKZAKHGQZBAD-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2F)C1 ZINC000872035902 633954076 /nfs/dbraw/zinc/95/40/76/633954076.db2.gz ZGBFQLPDNSWIPG-KBPBESRZSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2F)C1 ZINC000872035902 633954083 /nfs/dbraw/zinc/95/40/83/633954083.db2.gz ZGBFQLPDNSWIPG-KBPBESRZSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872041904 633964223 /nfs/dbraw/zinc/96/42/23/633964223.db2.gz XGBTVIYUGIFPEA-YNEHKIRRSA-N 2 2 280.387 3.055 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCCc3ccccc3C1)CC2 ZINC000872062693 633984967 /nfs/dbraw/zinc/98/49/67/633984967.db2.gz JHKPWYXCAQGAGB-QZTJIDSGSA-N 2 2 295.430 3.125 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872085914 634012045 /nfs/dbraw/zinc/01/20/45/634012045.db2.gz QMAXPDGLIIAZTO-IAGOWNOFSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc2cc(C[NH2+][C@]34CCC[C@@H]3[NH2+]CC4)ccc2c1 ZINC000873230442 634292847 /nfs/dbraw/zinc/29/28/47/634292847.db2.gz ROYAQUHROFBVAC-OALUTQOASA-N 2 2 296.414 3.223 20 0 CGADLP Cc1cc(C)cc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000876649842 634875903 /nfs/dbraw/zinc/87/59/03/634875903.db2.gz HMMCVTTUWLHLME-UHFFFAOYSA-N 2 2 283.419 3.449 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nc(Cl)cs1 ZINC000876956315 634936426 /nfs/dbraw/zinc/93/64/26/634936426.db2.gz JTXMAOMQSIQZMW-JTQLQIEISA-N 2 2 298.843 3.198 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000877006766 634948044 /nfs/dbraw/zinc/94/80/44/634948044.db2.gz QHCVYFSRGRAIFR-NSHDSACASA-N 2 2 288.222 3.057 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000877527387 635073054 /nfs/dbraw/zinc/07/30/54/635073054.db2.gz LARURMQOWZQXAK-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000877527387 635073061 /nfs/dbraw/zinc/07/30/61/635073061.db2.gz LARURMQOWZQXAK-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP c1cn(-c2csc(CNc3[nH+]ccn3C3CC3)c2)c[nH+]1 ZINC000840887273 635075672 /nfs/dbraw/zinc/07/56/72/635075672.db2.gz VGIJXXIFIOJHEG-UHFFFAOYSA-N 2 2 285.376 3.077 20 0 CGADLP Cc1cc([NH+](C)C)cc(C)c1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841012056 635105931 /nfs/dbraw/zinc/10/59/31/635105931.db2.gz XSBULZZEEIMICE-HUUCEWRRSA-N 2 2 275.440 3.169 20 0 CGADLP Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841012056 635105941 /nfs/dbraw/zinc/10/59/41/635105941.db2.gz XSBULZZEEIMICE-HUUCEWRRSA-N 2 2 275.440 3.169 20 0 CGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000841036726 635111486 /nfs/dbraw/zinc/11/14/86/635111486.db2.gz WJXURPSINNOJNS-NSHDSACASA-N 2 2 290.354 3.140 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000841064284 635116535 /nfs/dbraw/zinc/11/65/35/635116535.db2.gz YFFNWDIAGZDMAB-JTQLQIEISA-N 2 2 264.756 3.037 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000841088336 635119954 /nfs/dbraw/zinc/11/99/54/635119954.db2.gz VAEOPUWZFFMASN-CABCVRRESA-N 2 2 293.842 3.007 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000841088336 635119956 /nfs/dbraw/zinc/11/99/56/635119956.db2.gz VAEOPUWZFFMASN-CABCVRRESA-N 2 2 293.842 3.007 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)co1)C[C@@H]1CCC[NH+](C)C1 ZINC000878125106 635368061 /nfs/dbraw/zinc/36/80/61/635368061.db2.gz LTCJACVZHVQKFW-LLVKDONJSA-N 2 2 290.329 3.072 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)co1)C[C@@H]1CCC[NH+](C)C1 ZINC000878125106 635368069 /nfs/dbraw/zinc/36/80/69/635368069.db2.gz LTCJACVZHVQKFW-LLVKDONJSA-N 2 2 290.329 3.072 20 0 CGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125106 635368077 /nfs/dbraw/zinc/36/80/77/635368077.db2.gz LTCJACVZHVQKFW-LLVKDONJSA-N 2 2 290.329 3.072 20 0 CGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125106 635368082 /nfs/dbraw/zinc/36/80/82/635368082.db2.gz LTCJACVZHVQKFW-LLVKDONJSA-N 2 2 290.329 3.072 20 0 CGADLP FC1(F)CCC[C@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172166 635392666 /nfs/dbraw/zinc/39/26/66/635392666.db2.gz BUGINZCVDMHJIL-ZDUSSCGKSA-N 2 2 283.366 3.346 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](CCC(F)(F)F)CC1 ZINC000879949247 635885545 /nfs/dbraw/zinc/88/55/45/635885545.db2.gz SWGOAGFPRYICNW-UHFFFAOYSA-N 2 2 278.362 3.279 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)s1 ZINC000880132349 635921642 /nfs/dbraw/zinc/92/16/42/635921642.db2.gz LKWOZUJSNQSSQB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)s1 ZINC000880132349 635921645 /nfs/dbraw/zinc/92/16/45/635921645.db2.gz LKWOZUJSNQSSQB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c(C)s1 ZINC000880132349 635921649 /nfs/dbraw/zinc/92/16/49/635921649.db2.gz LKWOZUJSNQSSQB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c(C)s1 ZINC000880132349 635921651 /nfs/dbraw/zinc/92/16/51/635921651.db2.gz LKWOZUJSNQSSQB-LSDHHAIUSA-N 2 2 264.438 3.033 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207803 635938443 /nfs/dbraw/zinc/93/84/43/635938443.db2.gz MFUKCMVQXMOXMO-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207803 635938446 /nfs/dbraw/zinc/93/84/46/635938446.db2.gz MFUKCMVQXMOXMO-GOSISDBHSA-N 2 2 294.483 3.190 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000880475548 636008032 /nfs/dbraw/zinc/00/80/32/636008032.db2.gz WATZUPHHZLYOFP-GFCCVEGCSA-N 2 2 291.266 3.131 20 0 CGADLP CC(C)=CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572283 636024136 /nfs/dbraw/zinc/02/41/36/636024136.db2.gz ZUJPXUVXXVTHAZ-INIZCTEOSA-N 2 2 255.365 3.180 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000129247679 636202837 /nfs/dbraw/zinc/20/28/37/636202837.db2.gz RGUBTBLVKCFANM-HIFRSBDPSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131032092 636545175 /nfs/dbraw/zinc/54/51/75/636545175.db2.gz YLHWNXRDJOCQLZ-WFASDCNBSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131032092 636545182 /nfs/dbraw/zinc/54/51/82/636545182.db2.gz YLHWNXRDJOCQLZ-WFASDCNBSA-N 2 2 258.365 3.135 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000848928285 636701036 /nfs/dbraw/zinc/70/10/36/636701036.db2.gz YAUHQMCQGRJXDK-MSOLQXFVSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848928285 636701040 /nfs/dbraw/zinc/70/10/40/636701040.db2.gz YAUHQMCQGRJXDK-MSOLQXFVSA-N 2 2 272.436 3.144 20 0 CGADLP CC[C@H](C)c1ccc(NC(=[NH2+])NCCn2cc[nH+]c2)cc1 ZINC000848981446 636704335 /nfs/dbraw/zinc/70/43/35/636704335.db2.gz YSVQEWJOGCSCNN-ZDUSSCGKSA-N 2 2 285.395 3.033 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2CCCSC2)c2ccccc2)c[nH+]1 ZINC000883386360 636727302 /nfs/dbraw/zinc/72/73/02/636727302.db2.gz DSGNSQOZVCSNNS-CVEARBPZSA-N 2 2 287.432 3.110 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)c2ccccc2)c[nH+]1 ZINC000883388420 636730254 /nfs/dbraw/zinc/73/02/54/636730254.db2.gz UYZXBXIOXAVMKS-XWTMOSNGSA-N 2 2 281.403 3.403 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438381 637064424 /nfs/dbraw/zinc/06/44/24/637064424.db2.gz FGXWXBGGRRKJAH-GJZGRUSLSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438381 637064429 /nfs/dbraw/zinc/06/44/29/637064429.db2.gz FGXWXBGGRRKJAH-GJZGRUSLSA-N 2 2 288.435 3.004 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000885922470 637312833 /nfs/dbraw/zinc/31/28/33/637312833.db2.gz CESYBUOKTQJPTK-WCXIOVBPSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000885922470 637312838 /nfs/dbraw/zinc/31/28/38/637312838.db2.gz CESYBUOKTQJPTK-WCXIOVBPSA-N 2 2 282.472 3.187 20 0 CGADLP CC(C)(C)[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000853203085 637780792 /nfs/dbraw/zinc/78/07/92/637780792.db2.gz KCBSGBXFZJFVOH-UHFFFAOYSA-N 2 2 298.434 3.492 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncc(F)c1 ZINC000222555885 637801572 /nfs/dbraw/zinc/80/15/72/637801572.db2.gz DMLZDJQBBAFKPG-WFASDCNBSA-N 2 2 290.386 3.183 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000222553598 637801919 /nfs/dbraw/zinc/80/19/19/637801919.db2.gz APJAJWLXSFUOFE-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000222565324 637802977 /nfs/dbraw/zinc/80/29/77/637802977.db2.gz ZPLGVRYHICRAMV-AWEZNQCLSA-N 2 2 275.371 3.023 20 0 CGADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC000924539112 638355671 /nfs/dbraw/zinc/35/56/71/638355671.db2.gz ATCMDGJUGSPJQU-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732131 638396504 /nfs/dbraw/zinc/39/65/04/638396504.db2.gz LYDFGQNAPSBHEU-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)[NH+]1CCC(C)CC1 ZINC000924851047 638413813 /nfs/dbraw/zinc/41/38/13/638413813.db2.gz OCWOXGNSXUMQHF-HJOIGYKYSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000924928580 638426029 /nfs/dbraw/zinc/42/60/29/638426029.db2.gz YJFFPPSKUNCSIF-LBPRGKRZSA-N 2 2 288.395 3.229 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)sc2c1CCCC2 ZINC000925510466 638515171 /nfs/dbraw/zinc/51/51/71/638515171.db2.gz XFPYXZYZVSPJJV-OAHLLOKOSA-N 2 2 276.449 3.001 20 0 CGADLP C[C@H]([NH3+])[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000925693167 638571188 /nfs/dbraw/zinc/57/11/88/638571188.db2.gz OUXZCUDBDGBTCQ-YVEFUNNKSA-N 2 2 267.376 3.155 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925710449 638575272 /nfs/dbraw/zinc/57/52/72/638575272.db2.gz KCWWTWKNUMOZFO-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000925737094 638589429 /nfs/dbraw/zinc/58/94/29/638589429.db2.gz FAAAYDBWVRVHEW-MRXNPFEDSA-N 2 2 287.382 3.027 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752798 638596407 /nfs/dbraw/zinc/59/64/07/638596407.db2.gz YMVIVFMSNRWYSL-LBPRGKRZSA-N 2 2 279.453 3.095 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752798 638596413 /nfs/dbraw/zinc/59/64/13/638596413.db2.gz YMVIVFMSNRWYSL-LBPRGKRZSA-N 2 2 279.453 3.095 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781959 638613083 /nfs/dbraw/zinc/61/30/83/638613083.db2.gz BTADQXUZSXZYGM-CSMYWGQOSA-N 2 2 283.419 3.051 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858104385 638629277 /nfs/dbraw/zinc/62/92/77/638629277.db2.gz JFSKWQBHCVEIIL-OEAJRASXSA-N 2 2 275.440 3.322 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872501 638637506 /nfs/dbraw/zinc/63/75/06/638637506.db2.gz VJKDRJUQHQGIHL-BBWFWOEESA-N 2 2 279.387 3.193 20 0 CGADLP COC1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926157055 638725043 /nfs/dbraw/zinc/72/50/43/638725043.db2.gz RBZNUXBVDXZZFY-HIEASXQVSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926157055 638725048 /nfs/dbraw/zinc/72/50/48/638725048.db2.gz RBZNUXBVDXZZFY-HIEASXQVSA-N 2 2 294.483 3.188 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926503069 638779040 /nfs/dbraw/zinc/77/90/40/638779040.db2.gz SAUUYSIQCJQTNS-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926503069 638779042 /nfs/dbraw/zinc/77/90/42/638779042.db2.gz SAUUYSIQCJQTNS-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP CSC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000926865238 638819064 /nfs/dbraw/zinc/81/90/64/638819064.db2.gz RDMYPICYPOMNKZ-GPANFISMSA-N 2 2 287.432 3.108 20 0 CGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ncccn1 ZINC000931271542 639129930 /nfs/dbraw/zinc/12/99/30/639129930.db2.gz KKZYSDZGCMMSAC-OAHLLOKOSA-N 2 2 298.434 3.121 20 0 CGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)c1ncccn1 ZINC000931271542 639129934 /nfs/dbraw/zinc/12/99/34/639129934.db2.gz KKZYSDZGCMMSAC-OAHLLOKOSA-N 2 2 298.434 3.121 20 0 CGADLP CC[NH+](CC)C1CCN(c2cc(C(C)C)[nH+]c(C)n2)CC1 ZINC001165052670 722000733 /nfs/dbraw/zinc/00/07/33/722000733.db2.gz WJPDCIWCULHWBS-UHFFFAOYSA-N 2 2 290.455 3.219 20 0 CGADLP COCc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158265415 805932830 /nfs/dbraw/zinc/93/28/30/805932830.db2.gz HBGIVHSPDUUPDD-RHSMWYFYSA-N 2 2 291.439 3.184 20 0 CGADLP COc1cc(C)c[nH+]c1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159395103 806095293 /nfs/dbraw/zinc/09/52/93/806095293.db2.gz CIHMQTDTVLWVLT-UHFFFAOYSA-N 2 2 291.439 3.462 20 0 CGADLP Cc1c[nH+]cc(Nc2cccc3c2CC[NH2+]C3)c1C ZINC001159547911 806119773 /nfs/dbraw/zinc/11/97/73/806119773.db2.gz NFHDTGQSBYHLLP-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=CCC[NH2+]CC3)ccc12 ZINC001159735557 806163807 /nfs/dbraw/zinc/16/38/07/806163807.db2.gz DVCHUSARAZUDDQ-UHFFFAOYSA-N 2 2 253.349 3.222 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160166828 806230919 /nfs/dbraw/zinc/23/09/19/806230919.db2.gz IFGNGZRJDHFCMM-CQSZACIVSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831997 806491737 /nfs/dbraw/zinc/49/17/37/806491737.db2.gz ARJLQBVSGIPYKO-YOEHRIQHSA-N 2 2 258.409 3.130 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254843090 806495939 /nfs/dbraw/zinc/49/59/39/806495939.db2.gz FLXJECIGPWBBKN-KDOFPFPSSA-N 2 2 272.436 3.384 20 0 CGADLP CC(C)([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccc(F)cc1 ZINC001254842943 806495986 /nfs/dbraw/zinc/49/59/86/806495986.db2.gz HGMWWLSMTTWXPY-MRXNPFEDSA-N 2 2 276.399 3.135 20 0 CGADLP CC(C)(C)CC(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840122 806494612 /nfs/dbraw/zinc/49/46/12/806494612.db2.gz CFOPKOBHIFOFHM-AWEZNQCLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1cccc(F)c1 ZINC001254840245 806494772 /nfs/dbraw/zinc/49/47/72/806494772.db2.gz DRJOGAHCGKPCKH-INIZCTEOSA-N 2 2 276.399 3.135 20 0 CGADLP FC(F)(F)[C@H]1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254851213 806498163 /nfs/dbraw/zinc/49/81/63/806498163.db2.gz LNVXSWBRYRRVIN-IHRRRGAJSA-N 2 2 290.373 3.181 20 0 CGADLP C1CCC2(C1)CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857320 806499926 /nfs/dbraw/zinc/49/99/26/806499926.db2.gz ZHSPFBTXCMYUGV-INIZCTEOSA-N 2 2 262.441 3.127 20 0 CGADLP C1CCC2(C1)CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857320 806499928 /nfs/dbraw/zinc/49/99/28/806499928.db2.gz ZHSPFBTXCMYUGV-INIZCTEOSA-N 2 2 262.441 3.127 20 0 CGADLP CCCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(CCC)[nH+]1 ZINC001162391223 806574126 /nfs/dbraw/zinc/57/41/26/806574126.db2.gz AOLHFVFXRBNOOQ-JSGCOSHPSA-N 2 2 276.428 3.063 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001162455015 806587326 /nfs/dbraw/zinc/58/73/26/806587326.db2.gz RJBYRZRPORECHD-RHSMWYFYSA-N 2 2 296.418 3.191 20 0 CGADLP CCOc1ccc([NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)cc1C ZINC001162466129 806591587 /nfs/dbraw/zinc/59/15/87/806591587.db2.gz MDFUJFCGBAFMIN-LSDHHAIUSA-N 2 2 276.424 3.441 20 0 CGADLP CCCC[C@@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001255333235 806620016 /nfs/dbraw/zinc/62/00/16/806620016.db2.gz IMDGUGJLFWGYOO-CQSZACIVSA-N 2 2 291.439 3.227 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccn1 ZINC000037156369 798860083 /nfs/dbraw/zinc/86/00/83/798860083.db2.gz ZUWXSNWFDLFEEF-HIFRSBDPSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000037156559 798861586 /nfs/dbraw/zinc/86/15/86/798861586.db2.gz RXPNEVHKANHTJQ-ZFWWWQNUSA-N 2 2 272.396 3.044 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000163376870 799082749 /nfs/dbraw/zinc/08/27/49/799082749.db2.gz WJVHYGRKGQVJOI-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000163376870 799082753 /nfs/dbraw/zinc/08/27/53/799082753.db2.gz WJVHYGRKGQVJOI-JQWIXIFHSA-N 2 2 287.234 3.410 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1csc2ccccc12 ZINC000381359033 799377457 /nfs/dbraw/zinc/37/74/57/799377457.db2.gz JVVWOEILOXAZCM-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC000381359033 799377464 /nfs/dbraw/zinc/37/74/64/799377464.db2.gz JVVWOEILOXAZCM-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH3+])[C@H]3C)ccc2c1 ZINC000381600707 799383200 /nfs/dbraw/zinc/38/32/00/799383200.db2.gz NEGDFBGDSGNWBX-FZKQIMNGSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@@H]([NH3+])[C@H]3C)ccc2c1 ZINC000381600707 799383207 /nfs/dbraw/zinc/38/32/07/799383207.db2.gz NEGDFBGDSGNWBX-FZKQIMNGSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1ccc(C[C@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)cc1 ZINC001255791950 806754152 /nfs/dbraw/zinc/75/41/52/806754152.db2.gz HKCDFAPBIDPJBH-RDJZCZTQSA-N 2 2 283.419 3.462 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501307 799462850 /nfs/dbraw/zinc/46/28/50/799462850.db2.gz CCINKYQAEHYNBC-RBSFLKMASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501307 799462855 /nfs/dbraw/zinc/46/28/55/799462855.db2.gz CCINKYQAEHYNBC-RBSFLKMASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501305 799463753 /nfs/dbraw/zinc/46/37/53/799463753.db2.gz CCINKYQAEHYNBC-KFWWJZLASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501305 799463757 /nfs/dbraw/zinc/46/37/57/799463757.db2.gz CCINKYQAEHYNBC-KFWWJZLASA-N 2 2 252.446 3.274 20 0 CGADLP CCCc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC001163366086 806751371 /nfs/dbraw/zinc/75/13/71/806751371.db2.gz RCKLAHZOZQYDEJ-BBRMVZONSA-N 2 2 290.455 3.268 20 0 CGADLP CCCc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC001163366086 806751375 /nfs/dbraw/zinc/75/13/75/806751375.db2.gz RCKLAHZOZQYDEJ-BBRMVZONSA-N 2 2 290.455 3.268 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCCCC1 ZINC000688325652 799746998 /nfs/dbraw/zinc/74/69/98/799746998.db2.gz STQHVQOTTUIBBA-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccccc1F ZINC001255939872 806790143 /nfs/dbraw/zinc/79/01/43/806790143.db2.gz LCRILMRCQWKBPG-ZDUSSCGKSA-N 2 2 252.377 3.036 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000714753502 800128496 /nfs/dbraw/zinc/12/84/96/800128496.db2.gz BBMRSJDTIDMZCF-UHFFFAOYSA-N 2 2 252.789 3.043 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716269103 800166306 /nfs/dbraw/zinc/16/63/06/800166306.db2.gz JFXOWIXVZOXENJ-QAPCUYQASA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718093241 800211291 /nfs/dbraw/zinc/21/12/91/800211291.db2.gz RJPKLAFZEDXZRN-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718093241 800211298 /nfs/dbraw/zinc/21/12/98/800211298.db2.gz RJPKLAFZEDXZRN-JLSDUUJJSA-N 2 2 272.436 3.285 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256107202 806821059 /nfs/dbraw/zinc/82/10/59/806821059.db2.gz NUTLGEWROIVJSE-HOTGVXAUSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722392232 800319841 /nfs/dbraw/zinc/31/98/41/800319841.db2.gz QWKHVUNXLWVESQ-YPMHNXCESA-N 2 2 281.469 3.119 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722392231 800320294 /nfs/dbraw/zinc/32/02/94/800320294.db2.gz QWKHVUNXLWVESQ-WCQYABFASA-N 2 2 281.469 3.119 20 0 CGADLP C[C@H]([N@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809547904 800445330 /nfs/dbraw/zinc/44/53/30/800445330.db2.gz WZBOXWFELBBXSK-NSHDSACASA-N 2 2 269.458 3.071 20 0 CGADLP C[C@H]([N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000809547904 800445332 /nfs/dbraw/zinc/44/53/32/800445332.db2.gz WZBOXWFELBBXSK-NSHDSACASA-N 2 2 269.458 3.071 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001256203535 806850479 /nfs/dbraw/zinc/85/04/79/806850479.db2.gz ZSUCJWPKTRVCDQ-KRWDZBQOSA-N 2 2 258.409 3.308 20 0 CGADLP C[NH+]1CCC([N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC001256203535 806850486 /nfs/dbraw/zinc/85/04/86/806850486.db2.gz ZSUCJWPKTRVCDQ-KRWDZBQOSA-N 2 2 258.409 3.308 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(CF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519922 806909271 /nfs/dbraw/zinc/90/92/71/806909271.db2.gz HEQYXVXKFMGECZ-HOCLYGCPSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519922 806909277 /nfs/dbraw/zinc/90/92/77/806909277.db2.gz HEQYXVXKFMGECZ-HOCLYGCPSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604216 806923305 /nfs/dbraw/zinc/92/33/05/806923305.db2.gz NCLTUNAZIISRGA-GDBMZVCRSA-N 2 2 276.399 3.083 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256604216 806923306 /nfs/dbraw/zinc/92/33/06/806923306.db2.gz NCLTUNAZIISRGA-GDBMZVCRSA-N 2 2 276.399 3.083 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001116495427 802365531 /nfs/dbraw/zinc/36/55/31/802365531.db2.gz VCGZDXDAJFHDOI-GJZGRUSLSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001116495427 802365536 /nfs/dbraw/zinc/36/55/36/802365536.db2.gz VCGZDXDAJFHDOI-GJZGRUSLSA-N 2 2 288.435 3.147 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC001116811909 802414470 /nfs/dbraw/zinc/41/44/70/802414470.db2.gz POUGYFZOKWEMIZ-MRXNPFEDSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC001116811909 802414476 /nfs/dbraw/zinc/41/44/76/802414476.db2.gz POUGYFZOKWEMIZ-MRXNPFEDSA-N 2 2 294.389 3.114 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2cccc(OCC[NH3+])c2)cc1 ZINC001244324697 803303735 /nfs/dbraw/zinc/30/37/35/803303735.db2.gz FBXNYYDYZQZWAW-UHFFFAOYSA-N 2 2 293.370 3.092 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc3[nH+]c(C)cn3c2)c1F ZINC001244859739 803552163 /nfs/dbraw/zinc/55/21/63/803552163.db2.gz DKYSLCPKPNGXRD-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP C[NH+](C)Cc1cccc(-c2cccc3[nH+]ccn32)c1F ZINC001244865514 803555907 /nfs/dbraw/zinc/55/59/07/803555907.db2.gz UHXFCPWSCVRGMO-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP CNc1cc(-c2ccc(C3([NH3+])CCC3)cc2)cc[nH+]1 ZINC001244974077 803599226 /nfs/dbraw/zinc/59/92/26/803599226.db2.gz XCUVAPNTZJJKRH-UHFFFAOYSA-N 2 2 253.349 3.128 20 0 CGADLP CNc1cc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)cc[nH+]1 ZINC001244975591 803600260 /nfs/dbraw/zinc/60/02/60/803600260.db2.gz HVSGJLSDDBRFJS-INIZCTEOSA-N 2 2 267.376 3.257 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(C)ccc12 ZINC001136975407 803666088 /nfs/dbraw/zinc/66/60/88/803666088.db2.gz FKSLORSLFINFRR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(C)ccc12 ZINC001136975407 803666089 /nfs/dbraw/zinc/66/60/89/803666089.db2.gz FKSLORSLFINFRR-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP CC[N@H+](Cc1ccccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001137139278 803687202 /nfs/dbraw/zinc/68/72/02/803687202.db2.gz MNLDKOGABJRDRQ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@@H+](Cc1ccccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001137139278 803687204 /nfs/dbraw/zinc/68/72/04/803687204.db2.gz MNLDKOGABJRDRQ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@H+](Cc1cnc2ccccc2c1)C1CC[NH+](C)CC1 ZINC001137282395 803708463 /nfs/dbraw/zinc/70/84/63/803708463.db2.gz WUVSFSLADRDNKU-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cnc2ccccc2c1)C1CC[NH+](C)CC1 ZINC001137282395 803708464 /nfs/dbraw/zinc/70/84/64/803708464.db2.gz WUVSFSLADRDNKU-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001137379617 803725666 /nfs/dbraw/zinc/72/56/66/803725666.db2.gz YHEFPZHAJYHSHL-GJZGRUSLSA-N 2 2 289.467 3.086 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073892 804111790 /nfs/dbraw/zinc/11/17/90/804111790.db2.gz AQSQXAABEFRAAO-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC001246079507 804117583 /nfs/dbraw/zinc/11/75/83/804117583.db2.gz ZQSBSHZODUWVRW-IAGOWNOFSA-N 2 2 286.806 3.097 20 0 CGADLP CC[C@H]1CC([NH2+]Cc2c(F)cccc2F)C[C@H](CC)[NH2+]1 ZINC001246100759 804133348 /nfs/dbraw/zinc/13/33/48/804133348.db2.gz UUBPWCDRGWQXQR-RYUDHWBXSA-N 2 2 282.378 3.364 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+](CC)CCn1cc[nH+]c1 ZINC001139155839 804142674 /nfs/dbraw/zinc/14/26/74/804142674.db2.gz VFHNNVLDPRXCMA-UHFFFAOYSA-N 2 2 296.418 3.380 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001139155839 804142682 /nfs/dbraw/zinc/14/26/82/804142682.db2.gz VFHNNVLDPRXCMA-UHFFFAOYSA-N 2 2 296.418 3.380 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)cc1 ZINC001246115773 804147898 /nfs/dbraw/zinc/14/78/98/804147898.db2.gz SSOBIJNNSPKRMO-HRCADAONSA-N 2 2 292.492 3.453 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246135814 804160713 /nfs/dbraw/zinc/16/07/13/804160713.db2.gz VQTYBHMJEGVOLL-FZMZJTMJSA-N 2 2 296.867 3.162 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246149249 804169379 /nfs/dbraw/zinc/16/93/79/804169379.db2.gz UDNGROVVILMPKT-SJORKVTESA-N 3 2 295.515 3.055 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246159571 804175560 /nfs/dbraw/zinc/17/55/60/804175560.db2.gz AJAASHLAYXTRSH-MWLCHTKSSA-N 2 2 290.304 3.075 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](CC)CCn1cc[nH+]c1 ZINC001139607607 804225346 /nfs/dbraw/zinc/22/53/46/804225346.db2.gz XNNAQDOGYFVKMZ-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001139607607 804225356 /nfs/dbraw/zinc/22/53/56/804225356.db2.gz XNNAQDOGYFVKMZ-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246280446 804256242 /nfs/dbraw/zinc/25/62/42/804256242.db2.gz RPNGEJVXDQHSNG-XPKDYRNWSA-N 2 2 292.398 3.016 20 0 CGADLP c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(OCC2CCC2)c1 ZINC001246317615 804277181 /nfs/dbraw/zinc/27/71/81/804277181.db2.gz WNDLDNUSCFEAOZ-KRWDZBQOSA-N 2 2 288.435 3.097 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246320146 804278993 /nfs/dbraw/zinc/27/89/93/804278993.db2.gz XWTUDEAEPUHAAJ-BYCMXARLSA-N 2 2 250.361 3.007 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246332513 804288092 /nfs/dbraw/zinc/28/80/92/804288092.db2.gz MVZMWUQRSDPPJZ-BBRMVZONSA-N 2 2 294.389 3.320 20 0 CGADLP C([NH2+][C@H]1CCCC2(CCCCC2)C1)[C@H]1CSCC[NH2+]1 ZINC001246336975 804290760 /nfs/dbraw/zinc/29/07/60/804290760.db2.gz PNEHRPKKDMOBBS-GJZGRUSLSA-N 2 2 282.497 3.174 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)C[NH2+]1 ZINC001246407401 804324572 /nfs/dbraw/zinc/32/45/72/804324572.db2.gz SIACXAKWUMLALY-HFBAOOFYSA-N 2 2 262.372 3.007 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CCC2)c1 ZINC001246414910 804326437 /nfs/dbraw/zinc/32/64/37/804326437.db2.gz VDBXTATZQJPSCQ-GOEBONIOSA-N 2 2 258.409 3.104 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3cn2)CC1 ZINC001139999623 804347329 /nfs/dbraw/zinc/34/73/29/804347329.db2.gz XGUXOBZHUWLQGF-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3cn2)CC1 ZINC001139999623 804347337 /nfs/dbraw/zinc/34/73/37/804347337.db2.gz XGUXOBZHUWLQGF-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC(C)[PH+](CC[NH2+][C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001246470654 804347505 /nfs/dbraw/zinc/34/75/05/804347505.db2.gz QQGOOLWSVPYDJP-KBPBESRZSA-N 3 2 258.390 3.015 20 0 CGADLP CC[C@H]([NH2+][C@H](C)CC[NH2+]C)c1c(F)cccc1F ZINC001246469504 804347571 /nfs/dbraw/zinc/34/75/71/804347571.db2.gz QXSINWRGXSODSM-MFKMUULPSA-N 2 2 256.340 3.004 20 0 CGADLP COC1(C)CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140023712 804354313 /nfs/dbraw/zinc/35/43/13/804354313.db2.gz WSBULYOPJLOYQM-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP CO[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC001140029540 804355614 /nfs/dbraw/zinc/35/56/14/804355614.db2.gz OCSSYGRTORNMLU-WMLDXEAASA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC001140029540 804355623 /nfs/dbraw/zinc/35/56/23/804355623.db2.gz OCSSYGRTORNMLU-WMLDXEAASA-N 2 2 299.418 3.180 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001246550554 804400325 /nfs/dbraw/zinc/40/03/25/804400325.db2.gz JPIQZAYNQGHDCV-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001246550554 804400330 /nfs/dbraw/zinc/40/03/30/804400330.db2.gz JPIQZAYNQGHDCV-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574273 804421046 /nfs/dbraw/zinc/42/10/46/804421046.db2.gz UALYJVYKIHFCJF-SJLPKXTDSA-N 2 2 274.452 3.185 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574273 804421049 /nfs/dbraw/zinc/42/10/49/804421049.db2.gz UALYJVYKIHFCJF-SJLPKXTDSA-N 2 2 274.452 3.185 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648731 804475685 /nfs/dbraw/zinc/47/56/85/804475685.db2.gz MQQKNLHYTFAYIT-HZSPNIEDSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246648731 804475690 /nfs/dbraw/zinc/47/56/90/804475690.db2.gz MQQKNLHYTFAYIT-HZSPNIEDSA-N 2 2 290.373 3.326 20 0 CGADLP CCCCCC[C@@H](CC)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648940 804476948 /nfs/dbraw/zinc/47/69/48/804476948.db2.gz NHMZJFJKYPATHI-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@@H](CC)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246648940 804476951 /nfs/dbraw/zinc/47/69/51/804476951.db2.gz NHMZJFJKYPATHI-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775464 804505043 /nfs/dbraw/zinc/50/50/43/804505043.db2.gz IQEDBNSMVAFQIW-CJNGLKHVSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246775464 804505048 /nfs/dbraw/zinc/50/50/48/804505048.db2.gz IQEDBNSMVAFQIW-CJNGLKHVSA-N 2 2 254.377 3.022 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)C[NH2+]1 ZINC001246786128 804511876 /nfs/dbraw/zinc/51/18/76/804511876.db2.gz LSVYQUVONCIPHS-UPJWGTAASA-N 2 2 250.411 3.026 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2cccs2)C[NH2+]1 ZINC001246786128 804511880 /nfs/dbraw/zinc/51/18/80/804511880.db2.gz LSVYQUVONCIPHS-UPJWGTAASA-N 2 2 250.411 3.026 20 0 CGADLP c1coc(C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C2CC2)c1 ZINC001140805014 804523726 /nfs/dbraw/zinc/52/37/26/804523726.db2.gz OIEFYAMIQDKNKK-UHFFFAOYSA-N 2 2 267.332 3.321 20 0 CGADLP c1coc(C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C2CC2)c1 ZINC001140805014 804523730 /nfs/dbraw/zinc/52/37/30/804523730.db2.gz OIEFYAMIQDKNKK-UHFFFAOYSA-N 2 2 267.332 3.321 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1F ZINC001140804844 804524872 /nfs/dbraw/zinc/52/48/72/804524872.db2.gz HUXGRGRCOSNDJG-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(F)cc1F ZINC001140804844 804524875 /nfs/dbraw/zinc/52/48/75/804524875.db2.gz HUXGRGRCOSNDJG-UHFFFAOYSA-N 2 2 287.313 3.473 20 0 CGADLP COc1ccccc1C1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246818949 804533202 /nfs/dbraw/zinc/53/32/02/804533202.db2.gz GJRAYGQPINBQGM-HOCLYGCPSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835663 804544183 /nfs/dbraw/zinc/54/41/83/804544183.db2.gz LHGNUSWSJPFOTE-SJORKVTESA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835663 804544185 /nfs/dbraw/zinc/54/41/85/804544185.db2.gz LHGNUSWSJPFOTE-SJORKVTESA-N 2 2 292.854 3.475 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246841141 804550440 /nfs/dbraw/zinc/55/04/40/804550440.db2.gz TXXZSEARYWBVQF-SWLSCSKDSA-N 2 2 266.816 3.302 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246841141 804550447 /nfs/dbraw/zinc/55/04/47/804550447.db2.gz TXXZSEARYWBVQF-SWLSCSKDSA-N 2 2 266.816 3.302 20 0 CGADLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864288 804568212 /nfs/dbraw/zinc/56/82/12/804568212.db2.gz SYNXLZCFNMXPBM-JKSUJKDBSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864288 804568216 /nfs/dbraw/zinc/56/82/16/804568216.db2.gz SYNXLZCFNMXPBM-JKSUJKDBSA-N 2 2 290.426 3.495 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001246864668 804568981 /nfs/dbraw/zinc/56/89/81/804568981.db2.gz VQIPXNORMUSAOI-YRGRVCCFSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001246864668 804568986 /nfs/dbraw/zinc/56/89/86/804568986.db2.gz VQIPXNORMUSAOI-YRGRVCCFSA-N 2 2 298.883 3.490 20 0 CGADLP c1cn2ccc(C[NH+]3C4CCCC3CCC4)cc2[nH+]1 ZINC001141049407 804579005 /nfs/dbraw/zinc/57/90/05/804579005.db2.gz GJLNGQUZOGHOCF-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cc2[nH+]1 ZINC001141046201 804579333 /nfs/dbraw/zinc/57/93/33/804579333.db2.gz QMYZPTFJOQKMOB-CVEARBPZSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cc2[nH+]1 ZINC001141046201 804579338 /nfs/dbraw/zinc/57/93/38/804579338.db2.gz QMYZPTFJOQKMOB-CVEARBPZSA-N 2 2 269.392 3.489 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246886037 804581132 /nfs/dbraw/zinc/58/11/32/804581132.db2.gz GUDSRTGWYKUKIR-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246886037 804581137 /nfs/dbraw/zinc/58/11/37/804581137.db2.gz GUDSRTGWYKUKIR-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CCCCc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001141067915 804583396 /nfs/dbraw/zinc/58/33/96/804583396.db2.gz RJZSAYWSZNVIOT-UONOGXRCSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001141067915 804583401 /nfs/dbraw/zinc/58/34/01/804583401.db2.gz RJZSAYWSZNVIOT-UONOGXRCSA-N 2 2 261.413 3.374 20 0 CGADLP COc1cccc(C2CC[NH+]([C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246944396 804612718 /nfs/dbraw/zinc/61/27/18/804612718.db2.gz XGHMDEHLDQTZTP-WMLDXEAASA-N 2 2 288.435 3.015 20 0 CGADLP Fc1cccc(F)c1C[N@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC001246967006 804620279 /nfs/dbraw/zinc/62/02/79/804620279.db2.gz ZJXQKFCMNUAHHU-UHFFFAOYSA-N 2 2 294.389 3.461 20 0 CGADLP Fc1cccc(F)c1C[N@@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC001246967006 804620283 /nfs/dbraw/zinc/62/02/83/804620283.db2.gz ZJXQKFCMNUAHHU-UHFFFAOYSA-N 2 2 294.389 3.461 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001249479607 805158932 /nfs/dbraw/zinc/15/89/32/805158932.db2.gz KFAGKILBVBACLA-QGZVFWFLSA-N 2 2 299.418 3.361 20 0 CGADLP CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001249479607 805158936 /nfs/dbraw/zinc/15/89/36/805158936.db2.gz KFAGKILBVBACLA-QGZVFWFLSA-N 2 2 299.418 3.361 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001155026433 805526528 /nfs/dbraw/zinc/52/65/28/805526528.db2.gz SWKZQJJELPTASC-MFKMUULPSA-N 2 2 281.831 3.399 20 0 CGADLP CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321726 807106521 /nfs/dbraw/zinc/10/65/21/807106521.db2.gz NMZCTCYDVWZDGT-RRFJBIMHSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321726 807106525 /nfs/dbraw/zinc/10/65/25/807106525.db2.gz NMZCTCYDVWZDGT-RRFJBIMHSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257321726 807106530 /nfs/dbraw/zinc/10/65/30/807106530.db2.gz NMZCTCYDVWZDGT-RRFJBIMHSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257321726 807106533 /nfs/dbraw/zinc/10/65/33/807106533.db2.gz NMZCTCYDVWZDGT-RRFJBIMHSA-N 2 2 293.480 3.228 20 0 CGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCCC1)[C@@H]2C ZINC001257350379 807118254 /nfs/dbraw/zinc/11/82/54/807118254.db2.gz DOIVDKIFXNXSIV-CQSZACIVSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCCC1)[C@@H]2C ZINC001257350379 807118261 /nfs/dbraw/zinc/11/82/61/807118261.db2.gz DOIVDKIFXNXSIV-CQSZACIVSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCCC1)[C@@H]2C ZINC001257350379 807118266 /nfs/dbraw/zinc/11/82/66/807118266.db2.gz DOIVDKIFXNXSIV-CQSZACIVSA-N 2 2 290.455 3.043 20 0 CGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCCC1)[C@@H]2C ZINC001257350379 807118271 /nfs/dbraw/zinc/11/82/71/807118271.db2.gz DOIVDKIFXNXSIV-CQSZACIVSA-N 2 2 290.455 3.043 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870386 807232157 /nfs/dbraw/zinc/23/21/57/807232157.db2.gz MZIHWUGGEHWORL-UHFFFAOYSA-N 2 2 270.461 3.044 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257870386 807232163 /nfs/dbraw/zinc/23/21/63/807232163.db2.gz MZIHWUGGEHWORL-UHFFFAOYSA-N 2 2 270.461 3.044 20 0 CGADLP CCCC[NH+](CCCC)CCNc1nc2[nH]ccc2c[nH+]1 ZINC001167733190 807235740 /nfs/dbraw/zinc/23/57/40/807235740.db2.gz PKYZQHJOTXEBSS-UHFFFAOYSA-N 2 2 289.427 3.224 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1 ZINC001258003862 807262683 /nfs/dbraw/zinc/26/26/83/807262683.db2.gz WQIMBWPQBYAEQE-UHFFFAOYSA-N 2 2 278.415 3.344 20 0 CGADLP COCC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069278 807287790 /nfs/dbraw/zinc/28/77/90/807287790.db2.gz HFWDLPBNXQVFFF-SJORKVTESA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069278 807287795 /nfs/dbraw/zinc/28/77/95/807287795.db2.gz HFWDLPBNXQVFFF-SJORKVTESA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069260 807288302 /nfs/dbraw/zinc/28/83/02/807288302.db2.gz HFWDLPBNXQVFFF-DLBZAZTESA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258069260 807288308 /nfs/dbraw/zinc/28/83/08/807288308.db2.gz HFWDLPBNXQVFFF-DLBZAZTESA-N 2 2 298.515 3.490 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001168498502 807436333 /nfs/dbraw/zinc/43/63/33/807436333.db2.gz SFAGSGJPGDJDRA-ZFWWWQNUSA-N 2 2 287.382 3.293 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001258396108 807438734 /nfs/dbraw/zinc/43/87/34/807438734.db2.gz MZBJIGAMBCONME-MAUKXSAKSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001258396108 807438739 /nfs/dbraw/zinc/43/87/39/807438739.db2.gz MZBJIGAMBCONME-MAUKXSAKSA-N 2 2 290.451 3.090 20 0 CGADLP CCCCC[C@@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258440132 807452032 /nfs/dbraw/zinc/45/20/32/807452032.db2.gz MZSQQMVQILFSNU-CQSZACIVSA-N 2 2 263.429 3.411 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC(C)(C)C1 ZINC001258701047 807554310 /nfs/dbraw/zinc/55/43/10/807554310.db2.gz CADVAFOIKOEPCZ-WCVJEAGWSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC(C)(C)C1 ZINC001258701047 807554315 /nfs/dbraw/zinc/55/43/15/807554315.db2.gz CADVAFOIKOEPCZ-WCVJEAGWSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC(C)(C)C1 ZINC001258701047 807554320 /nfs/dbraw/zinc/55/43/20/807554320.db2.gz CADVAFOIKOEPCZ-WCVJEAGWSA-N 2 2 264.457 3.227 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC(C)(C)C1 ZINC001258701047 807554328 /nfs/dbraw/zinc/55/43/28/807554328.db2.gz CADVAFOIKOEPCZ-WCVJEAGWSA-N 2 2 264.457 3.227 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123084 807583763 /nfs/dbraw/zinc/58/37/63/807583763.db2.gz ITZHJPXNFRHVFV-AZKPJATDSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123084 807583769 /nfs/dbraw/zinc/58/37/69/807583769.db2.gz ITZHJPXNFRHVFV-AZKPJATDSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124900 807585946 /nfs/dbraw/zinc/58/59/46/807585946.db2.gz GMMYJKBJHOMYTL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124900 807585952 /nfs/dbraw/zinc/58/59/52/807585952.db2.gz GMMYJKBJHOMYTL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124900 807585955 /nfs/dbraw/zinc/58/59/55/807585955.db2.gz GMMYJKBJHOMYTL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3ccc(Cl)cc3C1)C2 ZINC001169124900 807585959 /nfs/dbraw/zinc/58/59/59/807585959.db2.gz GMMYJKBJHOMYTL-FVQHAEBGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001169145301 807589608 /nfs/dbraw/zinc/58/96/08/807589608.db2.gz MGBGFSPPVDZZPN-JONQDZQNSA-N 2 2 280.431 3.216 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001169145301 807589610 /nfs/dbraw/zinc/58/96/10/807589610.db2.gz MGBGFSPPVDZZPN-JONQDZQNSA-N 2 2 280.431 3.216 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001169146661 807592034 /nfs/dbraw/zinc/59/20/34/807592034.db2.gz QXDJRLDRXSMMLT-FIDHJVLJSA-N 2 2 262.441 3.266 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001169146661 807592041 /nfs/dbraw/zinc/59/20/41/807592041.db2.gz QXDJRLDRXSMMLT-FIDHJVLJSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001169146661 807592047 /nfs/dbraw/zinc/59/20/47/807592047.db2.gz QXDJRLDRXSMMLT-FIDHJVLJSA-N 2 2 262.441 3.266 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCCC[C@H]31)C2 ZINC001169146661 807592053 /nfs/dbraw/zinc/59/20/53/807592053.db2.gz QXDJRLDRXSMMLT-FIDHJVLJSA-N 2 2 262.441 3.266 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155580 807596901 /nfs/dbraw/zinc/59/69/01/807596901.db2.gz RRTKGEVKZXNICB-MUJYYYPQSA-N 2 2 276.811 3.281 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155580 807596902 /nfs/dbraw/zinc/59/69/02/807596902.db2.gz RRTKGEVKZXNICB-MUJYYYPQSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155580 807596904 /nfs/dbraw/zinc/59/69/04/807596904.db2.gz RRTKGEVKZXNICB-MUJYYYPQSA-N 2 2 276.811 3.281 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3ccc(Cl)cc3C1)C2 ZINC001169155580 807596905 /nfs/dbraw/zinc/59/69/05/807596905.db2.gz RRTKGEVKZXNICB-MUJYYYPQSA-N 2 2 276.811 3.281 20 0 CGADLP FC(F)(F)C1(c2ccc(NCC[C@H]3CCC[NH2+]3)[nH+]c2)CC1 ZINC001169563881 807667238 /nfs/dbraw/zinc/66/72/38/807667238.db2.gz FKRLDBDOSRIOKT-GFCCVEGCSA-N 2 2 299.340 3.230 20 0 CGADLP CCCC[N@H+](CC)CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974677 807733153 /nfs/dbraw/zinc/73/31/53/807733153.db2.gz KLAXXBVADAVZIA-UHFFFAOYSA-N 2 2 299.503 3.109 20 0 CGADLP CCCC[N@@H+](CC)CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974677 807733156 /nfs/dbraw/zinc/73/31/56/807733156.db2.gz KLAXXBVADAVZIA-UHFFFAOYSA-N 2 2 299.503 3.109 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC001170244971 807801698 /nfs/dbraw/zinc/80/16/98/807801698.db2.gz PHSMAHJQSGYZNS-AWEZNQCLSA-N 2 2 280.843 3.347 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170248472 807802562 /nfs/dbraw/zinc/80/25/62/807802562.db2.gz RUONNZCIKFLFDM-ZFWWWQNUSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170248472 807802571 /nfs/dbraw/zinc/80/25/71/807802571.db2.gz RUONNZCIKFLFDM-ZFWWWQNUSA-N 2 2 280.843 3.345 20 0 CGADLP CCc1ccc(N2CCC(C[NH+](CC)CC)CC2)[nH+]c1 ZINC001262679120 807895580 /nfs/dbraw/zinc/89/55/80/807895580.db2.gz BRAJMVVWLLERCE-UHFFFAOYSA-N 2 2 275.440 3.202 20 0 CGADLP C[NH+]1CC(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001171146292 807997701 /nfs/dbraw/zinc/99/77/01/807997701.db2.gz BHCKLQFYPFCQRB-CYBMUJFWSA-N 2 2 299.245 3.002 20 0 CGADLP Cc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171575357 808102780 /nfs/dbraw/zinc/10/27/80/808102780.db2.gz VIJMYGWTMPKOGM-DLBZAZTESA-N 2 2 295.430 3.389 20 0 CGADLP CC1(C)C[C@@H]([NH+]2CC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976002 808162377 /nfs/dbraw/zinc/16/23/77/808162377.db2.gz HIHBJDXZLNHVOQ-IRXDYDNUSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([NH+]2CC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976002 808162381 /nfs/dbraw/zinc/16/23/81/808162381.db2.gz HIHBJDXZLNHVOQ-IRXDYDNUSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976002 808162383 /nfs/dbraw/zinc/16/23/83/808162383.db2.gz HIHBJDXZLNHVOQ-IRXDYDNUSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976002 808162387 /nfs/dbraw/zinc/16/23/87/808162387.db2.gz HIHBJDXZLNHVOQ-IRXDYDNUSA-N 2 2 290.426 3.473 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001172107717 808176169 /nfs/dbraw/zinc/17/61/69/808176169.db2.gz GKPILWUPQIRBGH-FQUUOJAGSA-N 2 2 272.383 3.169 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCCC1(F)F)C2 ZINC001172107717 808176171 /nfs/dbraw/zinc/17/61/71/808176171.db2.gz GKPILWUPQIRBGH-FQUUOJAGSA-N 2 2 272.383 3.169 20 0 CGADLP Cc1[nH+]cn([C@@H]2CC[C@H](C)[C@H](C)C2)c1CSCC[NH3+] ZINC001172363724 808258230 /nfs/dbraw/zinc/25/82/30/808258230.db2.gz OSVDMPXONKNOBE-OUCADQQQSA-N 2 2 281.469 3.381 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538968 808372390 /nfs/dbraw/zinc/37/23/90/808372390.db2.gz YCHXRUMUOIISLW-USXIJHARSA-N 2 2 260.425 3.253 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172838456 808453203 /nfs/dbraw/zinc/45/32/03/808453203.db2.gz LBWBARAWCSIRQH-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172838456 808453208 /nfs/dbraw/zinc/45/32/08/808453208.db2.gz LBWBARAWCSIRQH-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP Cc1ccc2c(c1)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172840946 808456136 /nfs/dbraw/zinc/45/61/36/808456136.db2.gz DFYYNYCYSYLEHO-AEFFLSMTSA-N 2 2 295.430 3.389 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001172845633 808459708 /nfs/dbraw/zinc/45/97/08/808459708.db2.gz YWZJGGBYTIJMPJ-LJQANCHMSA-N 2 2 295.430 3.386 20 0 CGADLP Cc1[nH]c2ccc(Nc3c[nH+]c4ccccn34)cc2[nH+]1 ZINC001213071448 815220187 /nfs/dbraw/zinc/22/01/87/815220187.db2.gz SKTXZLHSHRCYJN-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCO[C@]2(CCC[NH+](CC)C2)C1 ZINC001275084782 808904164 /nfs/dbraw/zinc/90/41/64/808904164.db2.gz FWPUCBHTPOUIOQ-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCO[C@]2(CCC[NH+](CC)C2)C1 ZINC001275084782 808904169 /nfs/dbraw/zinc/90/41/69/808904169.db2.gz FWPUCBHTPOUIOQ-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCO[C@]2(CCC[N@H+](CC)C2)C1 ZINC001275084782 808904175 /nfs/dbraw/zinc/90/41/75/808904175.db2.gz FWPUCBHTPOUIOQ-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCO[C@]2(CCC[N@@H+](CC)C2)C1 ZINC001275084782 808904181 /nfs/dbraw/zinc/90/41/81/808904181.db2.gz FWPUCBHTPOUIOQ-MSOLQXFVSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117322 808911399 /nfs/dbraw/zinc/91/13/99/808911399.db2.gz AAUSHLKGGPJCHC-SFHVURJKSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275117322 808911404 /nfs/dbraw/zinc/91/14/04/808911404.db2.gz AAUSHLKGGPJCHC-SFHVURJKSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117322 808911408 /nfs/dbraw/zinc/91/14/08/808911408.db2.gz AAUSHLKGGPJCHC-SFHVURJKSA-N 2 2 289.467 3.493 20 0 CGADLP CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275117322 808911413 /nfs/dbraw/zinc/91/14/13/808911413.db2.gz AAUSHLKGGPJCHC-SFHVURJKSA-N 2 2 289.467 3.493 20 0 CGADLP c1cncc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275885987 808974060 /nfs/dbraw/zinc/97/40/60/808974060.db2.gz RMUONZYPBLCIPM-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275885987 808974063 /nfs/dbraw/zinc/97/40/63/808974063.db2.gz RMUONZYPBLCIPM-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001275885987 808974067 /nfs/dbraw/zinc/97/40/67/808974067.db2.gz RMUONZYPBLCIPM-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001275885987 808974071 /nfs/dbraw/zinc/97/40/71/808974071.db2.gz RMUONZYPBLCIPM-LJQANCHMSA-N 2 2 299.462 3.312 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C)[nH]1 ZINC001276797035 809033309 /nfs/dbraw/zinc/03/33/09/809033309.db2.gz USAQQWSLFDKXCN-GOOCMWNKSA-N 2 2 275.440 3.027 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C)[nH]1 ZINC001276797035 809033315 /nfs/dbraw/zinc/03/33/15/809033315.db2.gz USAQQWSLFDKXCN-GOOCMWNKSA-N 2 2 275.440 3.027 20 0 CGADLP CN(C)c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc[nH+]1 ZINC001174523354 809060686 /nfs/dbraw/zinc/06/06/86/809060686.db2.gz ZAVYMNBNQVZYDG-UHFFFAOYSA-N 2 2 297.406 3.277 20 0 CGADLP Cc1ccc[nH+]c1N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277707718 809090653 /nfs/dbraw/zinc/09/06/53/809090653.db2.gz FABSDLXMDBKKCW-UHFFFAOYSA-N 2 2 285.435 3.235 20 0 CGADLP CC1=CC(=O)C[NH+]=C1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175505022 809432863 /nfs/dbraw/zinc/43/28/63/809432863.db2.gz JNQMWYMXWASFNS-UHFFFAOYSA-N 2 2 295.386 3.297 20 0 CGADLP CC1=CC(=O)C[NH+]=C1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505022 809432867 /nfs/dbraw/zinc/43/28/67/809432867.db2.gz JNQMWYMXWASFNS-UHFFFAOYSA-N 2 2 295.386 3.297 20 0 CGADLP Cc1cn2cc(Nc3c[nH+]c(C)cc3C)ccc2[nH+]1 ZINC001213508154 815293616 /nfs/dbraw/zinc/29/36/16/815293616.db2.gz MLESBNOZNAEWHE-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]cccc3C)cc2)CC1 ZINC001175779827 809541439 /nfs/dbraw/zinc/54/14/39/809541439.db2.gz YQVZNCSVALJJSQ-UHFFFAOYSA-N 2 2 296.418 3.276 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001176120582 809627427 /nfs/dbraw/zinc/62/74/27/809627427.db2.gz GHYUXVZFYDNOSV-UHFFFAOYSA-N 2 2 283.375 3.430 20 0 CGADLP Cc1ccc[nH+]c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176222722 809650322 /nfs/dbraw/zinc/65/03/22/809650322.db2.gz NBWUMSSHQAHCRY-UHFFFAOYSA-N 2 2 271.364 3.074 20 0 CGADLP c1[nH+]c2ccccn2c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749701 809758197 /nfs/dbraw/zinc/75/81/97/809758197.db2.gz GQLAAUNFQBMQAU-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC001177276834 809791121 /nfs/dbraw/zinc/79/11/21/809791121.db2.gz HNHWDWLJONECSV-LTIDMASMSA-N 2 2 282.472 3.187 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC001177276834 809791125 /nfs/dbraw/zinc/79/11/25/809791125.db2.gz HNHWDWLJONECSV-LTIDMASMSA-N 2 2 282.472 3.187 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+]1CCCCC1 ZINC001177429128 809798073 /nfs/dbraw/zinc/79/80/73/809798073.db2.gz PCZMDWUVMOVXPU-LPHOPBHVSA-N 2 2 286.463 3.398 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+]1CCCCC1 ZINC001177429127 809798306 /nfs/dbraw/zinc/79/83/06/809798306.db2.gz PCZMDWUVMOVXPU-APWZRJJASA-N 2 2 286.463 3.398 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001179830483 809948119 /nfs/dbraw/zinc/94/81/19/809948119.db2.gz RQIRSZMOKZBUFO-LBPRGKRZSA-N 2 2 270.367 3.175 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046664 810135101 /nfs/dbraw/zinc/13/51/01/810135101.db2.gz ZPNVKKVQZLMJIO-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046664 810135105 /nfs/dbraw/zinc/13/51/05/810135105.db2.gz ZPNVKKVQZLMJIO-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC001183498533 810150214 /nfs/dbraw/zinc/15/02/14/810150214.db2.gz GKEYFKDLIBUKRW-CRAIPNDOSA-N 2 2 292.386 3.370 20 0 CGADLP CC[C@@H](C)[N@@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC001190628116 810640302 /nfs/dbraw/zinc/64/03/02/810640302.db2.gz RKYFLJJTXKUQCO-OAHLLOKOSA-N 2 2 289.398 3.365 20 0 CGADLP CC[C@@H](C)[N@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC001190628116 810640305 /nfs/dbraw/zinc/64/03/05/810640305.db2.gz RKYFLJJTXKUQCO-OAHLLOKOSA-N 2 2 289.398 3.365 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CC4CCCCC4)C[C@H]3C2)c1 ZINC001201388667 811822892 /nfs/dbraw/zinc/82/28/92/811822892.db2.gz DJHROOMITKLRCO-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]3C2)c1 ZINC001201388667 811822904 /nfs/dbraw/zinc/82/29/04/811822904.db2.gz DJHROOMITKLRCO-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)c1 ZINC001201388667 811822913 /nfs/dbraw/zinc/82/29/13/811822913.db2.gz DJHROOMITKLRCO-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)c1 ZINC001201388667 811822923 /nfs/dbraw/zinc/82/29/23/811822923.db2.gz DJHROOMITKLRCO-KDURUIRLSA-N 2 2 299.462 3.026 20 0 CGADLP CC(C)=CCC[C@@H](C)C[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001201486746 811861485 /nfs/dbraw/zinc/86/14/85/811861485.db2.gz PYUBRJXVPAKQRN-CQSZACIVSA-N 2 2 261.413 3.390 20 0 CGADLP CC(C)=CCC[C@@H](C)C[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001201486746 811861492 /nfs/dbraw/zinc/86/14/92/811861492.db2.gz PYUBRJXVPAKQRN-CQSZACIVSA-N 2 2 261.413 3.390 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201564293 811906161 /nfs/dbraw/zinc/90/61/61/811906161.db2.gz XYBZEYHQPNTKAX-DZGCQCFKSA-N 2 2 262.397 3.279 20 0 CGADLP CCC[C@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201564293 811906165 /nfs/dbraw/zinc/90/61/65/811906165.db2.gz XYBZEYHQPNTKAX-DZGCQCFKSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc1 ZINC001204173797 812564588 /nfs/dbraw/zinc/56/45/88/812564588.db2.gz DFECLHZCUXKMGF-UHFFFAOYSA-N 2 2 258.409 3.054 20 0 CGADLP Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc1 ZINC001204173797 812564592 /nfs/dbraw/zinc/56/45/92/812564592.db2.gz DFECLHZCUXKMGF-UHFFFAOYSA-N 2 2 258.409 3.054 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243788 812584047 /nfs/dbraw/zinc/58/40/47/812584047.db2.gz KBNSEWFUNQTIJY-RBUKOAKNSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243788 812584053 /nfs/dbraw/zinc/58/40/53/812584053.db2.gz KBNSEWFUNQTIJY-RBUKOAKNSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243788 812584058 /nfs/dbraw/zinc/58/40/58/812584058.db2.gz KBNSEWFUNQTIJY-RBUKOAKNSA-N 2 2 296.414 3.234 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)co1 ZINC001204243788 812584064 /nfs/dbraw/zinc/58/40/64/812584064.db2.gz KBNSEWFUNQTIJY-RBUKOAKNSA-N 2 2 296.414 3.234 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(F)c1 ZINC001204593412 812684348 /nfs/dbraw/zinc/68/43/48/812684348.db2.gz RBBYHOKPNDQXLE-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(F)c1 ZINC001204593412 812684352 /nfs/dbraw/zinc/68/43/52/812684352.db2.gz RBBYHOKPNDQXLE-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(F)c1 ZINC001204593412 812684353 /nfs/dbraw/zinc/68/43/53/812684353.db2.gz RBBYHOKPNDQXLE-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(F)c1 ZINC001204593412 812684358 /nfs/dbraw/zinc/68/43/58/812684358.db2.gz RBBYHOKPNDQXLE-MRXNPFEDSA-N 2 2 290.426 3.298 20 0 CGADLP C[N@H+](CC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001204700187 812712739 /nfs/dbraw/zinc/71/27/39/812712739.db2.gz YWUGCZJGTNFKHE-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP C[N@@H+](CC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001204700187 812712744 /nfs/dbraw/zinc/71/27/44/812712744.db2.gz YWUGCZJGTNFKHE-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP C[NH2+]CC[N@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001204720875 812716749 /nfs/dbraw/zinc/71/67/49/812716749.db2.gz XQGNIQLXFATJDD-UHFFFAOYSA-N 2 2 275.223 3.077 20 0 CGADLP C[NH2+]CC[N@@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001204720875 812716756 /nfs/dbraw/zinc/71/67/56/812716756.db2.gz XQGNIQLXFATJDD-UHFFFAOYSA-N 2 2 275.223 3.077 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204800837 812740778 /nfs/dbraw/zinc/74/07/78/812740778.db2.gz HHOSMGCTQUGWEF-LJQANCHMSA-N 2 2 296.414 3.189 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001204800837 812740784 /nfs/dbraw/zinc/74/07/84/812740784.db2.gz HHOSMGCTQUGWEF-LJQANCHMSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204885458 812763301 /nfs/dbraw/zinc/76/33/01/812763301.db2.gz VUJLAQAPCOQRBF-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001204885458 812763307 /nfs/dbraw/zinc/76/33/07/812763307.db2.gz VUJLAQAPCOQRBF-IBGZPJMESA-N 2 2 280.415 3.201 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204884928 812763595 /nfs/dbraw/zinc/76/35/95/812763595.db2.gz FJWFFCGFLFYKEV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204884928 812763600 /nfs/dbraw/zinc/76/36/00/812763600.db2.gz FJWFFCGFLFYKEV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC12CC2 ZINC001204903776 812769508 /nfs/dbraw/zinc/76/95/08/812769508.db2.gz DNZOMDNPTXRCDD-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)CC12CC2 ZINC001204903776 812769512 /nfs/dbraw/zinc/76/95/12/812769512.db2.gz DNZOMDNPTXRCDD-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2sccc21 ZINC001204931335 812781277 /nfs/dbraw/zinc/78/12/77/812781277.db2.gz AZMVNLIDTOYISZ-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2sccc21 ZINC001204931335 812781281 /nfs/dbraw/zinc/78/12/81/812781281.db2.gz AZMVNLIDTOYISZ-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205068099 812846153 /nfs/dbraw/zinc/84/61/53/812846153.db2.gz AUFRNSNKWFLMKI-ZFWWWQNUSA-N 2 2 276.424 3.130 20 0 CGADLP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C(C)C ZINC001205068099 812846165 /nfs/dbraw/zinc/84/61/65/812846165.db2.gz AUFRNSNKWFLMKI-ZFWWWQNUSA-N 2 2 276.424 3.130 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205326258 812956735 /nfs/dbraw/zinc/95/67/35/812956735.db2.gz XAZRIKPSODFWKL-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001205326258 812956741 /nfs/dbraw/zinc/95/67/41/812956741.db2.gz XAZRIKPSODFWKL-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667519 813048693 /nfs/dbraw/zinc/04/86/93/813048693.db2.gz MEDPDZZQPAGCDZ-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667519 813048703 /nfs/dbraw/zinc/04/87/03/813048703.db2.gz MEDPDZZQPAGCDZ-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796028 813081671 /nfs/dbraw/zinc/08/16/71/813081671.db2.gz NFTDKWGQPQIMAK-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796028 813081679 /nfs/dbraw/zinc/08/16/79/813081679.db2.gz NFTDKWGQPQIMAK-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806316 813087141 /nfs/dbraw/zinc/08/71/41/813087141.db2.gz TWZGGQHPAZLKFQ-SMDDNHRTSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806316 813087146 /nfs/dbraw/zinc/08/71/46/813087146.db2.gz TWZGGQHPAZLKFQ-SMDDNHRTSA-N 2 2 286.341 3.265 20 0 CGADLP CCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1CC ZINC001205814842 813090875 /nfs/dbraw/zinc/09/08/75/813090875.db2.gz DPJJMODYXOSXHM-RHSMWYFYSA-N 2 2 290.451 3.207 20 0 CGADLP CCOc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1CC ZINC001205814842 813090879 /nfs/dbraw/zinc/09/08/79/813090879.db2.gz DPJJMODYXOSXHM-RHSMWYFYSA-N 2 2 290.451 3.207 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814525 813091010 /nfs/dbraw/zinc/09/10/10/813091010.db2.gz CLSJFEVLGCTKCK-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814525 813091017 /nfs/dbraw/zinc/09/10/17/813091017.db2.gz CLSJFEVLGCTKCK-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205816319 813093255 /nfs/dbraw/zinc/09/32/55/813093255.db2.gz LTUCXOSKGRPNDI-QWHCGFSZSA-N 2 2 266.454 3.260 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205816319 813093266 /nfs/dbraw/zinc/09/32/66/813093266.db2.gz LTUCXOSKGRPNDI-QWHCGFSZSA-N 2 2 266.454 3.260 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903509 813126729 /nfs/dbraw/zinc/12/67/29/813126729.db2.gz PTJZLJSCNFYWOY-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001205903509 813126726 /nfs/dbraw/zinc/12/67/26/813126726.db2.gz PTJZLJSCNFYWOY-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(F)cc1Cl ZINC001205925759 813137337 /nfs/dbraw/zinc/13/73/37/813137337.db2.gz ZGMKCUWPRLAQPG-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(F)cc1Cl ZINC001205925759 813137343 /nfs/dbraw/zinc/13/73/43/813137343.db2.gz ZGMKCUWPRLAQPG-NEPJUHHUSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205933078 813140826 /nfs/dbraw/zinc/14/08/26/813140826.db2.gz XJFMBGOXQQFINJ-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001205933078 813140831 /nfs/dbraw/zinc/14/08/31/813140831.db2.gz XJFMBGOXQQFINJ-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205939960 813141393 /nfs/dbraw/zinc/14/13/93/813141393.db2.gz XNYJQDKYONHHFU-CQSZACIVSA-N 2 2 287.382 3.134 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001205939960 813141397 /nfs/dbraw/zinc/14/13/97/813141397.db2.gz XNYJQDKYONHHFU-CQSZACIVSA-N 2 2 287.382 3.134 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001206336958 813294174 /nfs/dbraw/zinc/29/41/74/813294174.db2.gz PJWYJMLBHJINTJ-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206336958 813294176 /nfs/dbraw/zinc/29/41/76/813294176.db2.gz PJWYJMLBHJINTJ-INIZCTEOSA-N 2 2 298.833 3.426 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2c1 ZINC001206342764 813295349 /nfs/dbraw/zinc/29/53/49/813295349.db2.gz BOLCSUYEVUYAAS-QGZVFWFLSA-N 2 2 289.398 3.129 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2c1 ZINC001206342764 813295357 /nfs/dbraw/zinc/29/53/57/813295357.db2.gz BOLCSUYEVUYAAS-QGZVFWFLSA-N 2 2 289.398 3.129 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1 ZINC001206342762 813296594 /nfs/dbraw/zinc/29/65/94/813296594.db2.gz BNZWJGBXBWLAJK-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(C)c1 ZINC001206342762 813296602 /nfs/dbraw/zinc/29/66/02/813296602.db2.gz BNZWJGBXBWLAJK-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cs1 ZINC001206547728 813346917 /nfs/dbraw/zinc/34/69/17/813346917.db2.gz FQOWQOWWOLXKRQ-OAHLLOKOSA-N 2 2 281.469 3.217 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cs1 ZINC001206547728 813346924 /nfs/dbraw/zinc/34/69/24/813346924.db2.gz FQOWQOWWOLXKRQ-OAHLLOKOSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001206564531 813355375 /nfs/dbraw/zinc/35/53/75/813355375.db2.gz QHVZDOFTJKISRR-SFHVURJKSA-N 2 2 299.418 3.293 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001206564531 813355383 /nfs/dbraw/zinc/35/53/83/813355383.db2.gz QHVZDOFTJKISRR-SFHVURJKSA-N 2 2 299.418 3.293 20 0 CGADLP CC(C)[N@H+](Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206580092 813363271 /nfs/dbraw/zinc/36/32/71/813363271.db2.gz CCQAWLDSXYPMFI-CYBMUJFWSA-N 2 2 282.378 3.317 20 0 CGADLP CC(C)[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206580092 813363277 /nfs/dbraw/zinc/36/32/77/813363277.db2.gz CCQAWLDSXYPMFI-CYBMUJFWSA-N 2 2 282.378 3.317 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+](Cc2ccccc2)C1 ZINC001206689355 813399779 /nfs/dbraw/zinc/39/97/79/813399779.db2.gz WRDBPLFBZMPLMD-QFBILLFUSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+](Cc2ccccc2)C1 ZINC001206689355 813399785 /nfs/dbraw/zinc/39/97/85/813399785.db2.gz WRDBPLFBZMPLMD-QFBILLFUSA-N 2 2 298.430 3.322 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC001206776905 813435123 /nfs/dbraw/zinc/43/51/23/813435123.db2.gz IUGSNRSMESAXAI-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CCCC2)C1 ZINC001206776905 813435128 /nfs/dbraw/zinc/43/51/28/813435128.db2.gz IUGSNRSMESAXAI-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cn1 ZINC001207042701 813470724 /nfs/dbraw/zinc/47/07/24/813470724.db2.gz HPGRMGDTUDYVAW-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cn1 ZINC001207042701 813470726 /nfs/dbraw/zinc/47/07/26/813470726.db2.gz HPGRMGDTUDYVAW-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001207042701 813470729 /nfs/dbraw/zinc/47/07/29/813470729.db2.gz HPGRMGDTUDYVAW-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001207042701 813470730 /nfs/dbraw/zinc/47/07/30/813470730.db2.gz HPGRMGDTUDYVAW-IRXDYDNUSA-N 2 2 291.414 3.060 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207058199 813476294 /nfs/dbraw/zinc/47/62/94/813476294.db2.gz MXBKEZXPOSPTIK-JYYAWHABSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001207058199 813476297 /nfs/dbraw/zinc/47/62/97/813476297.db2.gz MXBKEZXPOSPTIK-JYYAWHABSA-N 2 2 262.441 3.029 20 0 CGADLP Clc1cccc(CC[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001207424933 813561641 /nfs/dbraw/zinc/56/16/41/813561641.db2.gz BCJLNGLTAUBBGQ-UHFFFAOYSA-N 2 2 278.827 3.053 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207593459 813603646 /nfs/dbraw/zinc/60/36/46/813603646.db2.gz RXNWLXHULZYHQX-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207593459 813603648 /nfs/dbraw/zinc/60/36/48/813603648.db2.gz RXNWLXHULZYHQX-UHFFFAOYSA-N 2 2 289.810 3.293 20 0 CGADLP C[C@H](C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001207905075 813668590 /nfs/dbraw/zinc/66/85/90/813668590.db2.gz HIAWIPAOTXTVID-MRXNPFEDSA-N 2 2 284.447 3.208 20 0 CGADLP C[C@H](C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001207905075 813668595 /nfs/dbraw/zinc/66/85/95/813668595.db2.gz HIAWIPAOTXTVID-MRXNPFEDSA-N 2 2 284.447 3.208 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)o1 ZINC001208171232 813723946 /nfs/dbraw/zinc/72/39/46/813723946.db2.gz ZEESREXWAHYRSL-FVQBIDKESA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)o1 ZINC001208171232 813723950 /nfs/dbraw/zinc/72/39/50/813723950.db2.gz ZEESREXWAHYRSL-FVQBIDKESA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)o1 ZINC001208171232 813723953 /nfs/dbraw/zinc/72/39/53/813723953.db2.gz ZEESREXWAHYRSL-FVQBIDKESA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)o1 ZINC001208171232 813723956 /nfs/dbraw/zinc/72/39/56/813723956.db2.gz ZEESREXWAHYRSL-FVQBIDKESA-N 2 2 276.424 3.108 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614396 813775688 /nfs/dbraw/zinc/77/56/88/813775688.db2.gz DDSOXRNUFFNRRU-CZUORRHYSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614396 813775691 /nfs/dbraw/zinc/77/56/91/813775691.db2.gz DDSOXRNUFFNRRU-CZUORRHYSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614396 813775694 /nfs/dbraw/zinc/77/56/94/813775694.db2.gz DDSOXRNUFFNRRU-CZUORRHYSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001208614396 813775695 /nfs/dbraw/zinc/77/56/95/813775695.db2.gz DDSOXRNUFFNRRU-CZUORRHYSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670266 813791714 /nfs/dbraw/zinc/79/17/14/813791714.db2.gz WAEVPBVXGJVAJO-FUHWJXTLSA-N 2 2 286.463 3.380 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670266 813791720 /nfs/dbraw/zinc/79/17/20/813791720.db2.gz WAEVPBVXGJVAJO-FUHWJXTLSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670266 813791725 /nfs/dbraw/zinc/79/17/25/813791725.db2.gz WAEVPBVXGJVAJO-FUHWJXTLSA-N 2 2 286.463 3.380 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)c3ccccc3)C[C@H]21 ZINC001208670266 813791728 /nfs/dbraw/zinc/79/17/28/813791728.db2.gz WAEVPBVXGJVAJO-FUHWJXTLSA-N 2 2 286.463 3.380 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CCCC4)C[C@H]3C2)nc1 ZINC001208694217 813799980 /nfs/dbraw/zinc/79/99/80/813799980.db2.gz VLTVPVFYBNDERZ-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@H]3C2)nc1 ZINC001208694217 813799986 /nfs/dbraw/zinc/79/99/86/813799986.db2.gz VLTVPVFYBNDERZ-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)nc1 ZINC001208694217 813799993 /nfs/dbraw/zinc/79/99/93/813799993.db2.gz VLTVPVFYBNDERZ-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)nc1 ZINC001208694217 813799996 /nfs/dbraw/zinc/79/99/96/813799996.db2.gz VLTVPVFYBNDERZ-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[NH2+]1 ZINC001210496825 814490402 /nfs/dbraw/zinc/49/04/02/814490402.db2.gz JXLQHKLQSYYAMX-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CC[NH2+]1 ZINC001210496825 814490408 /nfs/dbraw/zinc/49/04/08/814490408.db2.gz JXLQHKLQSYYAMX-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210520471 814506459 /nfs/dbraw/zinc/50/64/59/814506459.db2.gz ZIPHJTDARDMSJT-CYBMUJFWSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210520471 814506466 /nfs/dbraw/zinc/50/64/66/814506466.db2.gz ZIPHJTDARDMSJT-CYBMUJFWSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210715203 814594983 /nfs/dbraw/zinc/59/49/83/814594983.db2.gz SWDAQRNSZXBODV-HNNXBMFYSA-N 2 2 296.418 3.416 20 0 CGADLP COc1cc(Nc2cc[nH+]c(N3CCCC3)c2)cc(C)[nH+]1 ZINC001210779284 814624440 /nfs/dbraw/zinc/62/44/40/814624440.db2.gz JPHSJOYXIIMCCV-UHFFFAOYSA-N 2 2 284.363 3.137 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1cccc(C[NH2+]C)c1 ZINC001211137902 814837085 /nfs/dbraw/zinc/83/70/85/814837085.db2.gz ADFPXXJVZABFGG-UHFFFAOYSA-N 2 2 255.365 3.415 20 0 CGADLP COc1c[nH+]ccc1Nc1ccc2c(C)cc[nH+]c2c1 ZINC001211263951 814866726 /nfs/dbraw/zinc/86/67/26/814866726.db2.gz PGDIUAKNTPHMPN-UHFFFAOYSA-N 2 2 265.316 3.112 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1F ZINC001216228370 815746602 /nfs/dbraw/zinc/74/66/02/815746602.db2.gz CQCKAFFIYKLDLQ-UHFFFAOYSA-N 2 2 284.338 3.279 20 0 CGADLP CCOc1cc[nH+]cc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216549764 815856300 /nfs/dbraw/zinc/85/63/00/815856300.db2.gz SYNBGZFWYPLOPV-UHFFFAOYSA-N 2 2 294.358 3.469 20 0 CGADLP C[C@H](CC[N@@H+]1CC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191024 816372567 /nfs/dbraw/zinc/37/25/67/816372567.db2.gz HXXVKFUWUVZLKQ-ZBFHGGJFSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CC[N@H+]1CC[C@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191024 816372574 /nfs/dbraw/zinc/37/25/74/816372574.db2.gz HXXVKFUWUVZLKQ-ZBFHGGJFSA-N 2 2 252.446 3.277 20 0 CGADLP c1cc2c(cccc2C[NH+]2CC3(C2)CCC[NH2+]C3)s1 ZINC001222340404 816412792 /nfs/dbraw/zinc/41/27/92/816412792.db2.gz NQIJOMJFGPEXHQ-UHFFFAOYSA-N 2 2 272.417 3.087 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)sc1C ZINC001222353815 816417267 /nfs/dbraw/zinc/41/72/67/816417267.db2.gz IFEZWNHERZYQOR-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)sc1C ZINC001222353815 816417273 /nfs/dbraw/zinc/41/72/73/816417273.db2.gz IFEZWNHERZYQOR-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP c1ccc(-c2ccccc2C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222380077 816423431 /nfs/dbraw/zinc/42/34/31/816423431.db2.gz RFRGFHNGGPRTRT-UHFFFAOYSA-N 2 2 278.399 3.149 20 0 CGADLP Cc1sc2ccccc2c1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380258 816424803 /nfs/dbraw/zinc/42/48/03/816424803.db2.gz XNSCFGOUJMYLBF-UHFFFAOYSA-N 2 2 272.417 3.005 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222390650 816428992 /nfs/dbraw/zinc/42/89/92/816428992.db2.gz SVMURQLIFIGIRD-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222390650 816428997 /nfs/dbraw/zinc/42/89/97/816428997.db2.gz SVMURQLIFIGIRD-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2o1 ZINC001222436769 816444957 /nfs/dbraw/zinc/44/49/57/816444957.db2.gz ZWIJWGCSQCUSRM-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2o1 ZINC001222436769 816444960 /nfs/dbraw/zinc/44/49/60/816444960.db2.gz ZWIJWGCSQCUSRM-QGZVFWFLSA-N 2 2 270.376 3.151 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001243072178 823235455 /nfs/dbraw/zinc/23/54/55/823235455.db2.gz KPHORNZOCMDUCS-UHFFFAOYSA-N 2 2 273.355 3.212 20 0 CGADLP Cc1ccc(Cl)c(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1 ZINC001228555190 817936845 /nfs/dbraw/zinc/93/68/45/817936845.db2.gz CSSPTPZGNCNRNX-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP Cc1ccc(Cl)cc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228556803 817937858 /nfs/dbraw/zinc/93/78/58/817937858.db2.gz QQMRWWUVPNIDAF-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001231809226 818182133 /nfs/dbraw/zinc/18/21/33/818182133.db2.gz JEGYCYWGOYYZRJ-UHFFFAOYSA-N 2 2 284.403 3.473 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1CC[NH+](C)CC1 ZINC001231809226 818182135 /nfs/dbraw/zinc/18/21/35/818182135.db2.gz JEGYCYWGOYYZRJ-UHFFFAOYSA-N 2 2 284.403 3.473 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc3cccnc3s2)CC1 ZINC001233350089 818593597 /nfs/dbraw/zinc/59/35/97/818593597.db2.gz UPCXYIOSOJPJIL-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc3cccnc3s2)CC1 ZINC001233350089 818593602 /nfs/dbraw/zinc/59/36/02/818593602.db2.gz UPCXYIOSOJPJIL-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP FC1CC2(C1)CCC[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233363717 818597919 /nfs/dbraw/zinc/59/79/19/818597919.db2.gz WUQKGXKNDYDNLT-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP FC1CC2(C1)CCC[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233363717 818597922 /nfs/dbraw/zinc/59/79/22/818597922.db2.gz WUQKGXKNDYDNLT-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1-n1cc[nH+]c1 ZINC001234032177 818762066 /nfs/dbraw/zinc/76/20/66/818762066.db2.gz HPYDBMAVRBTOEF-AWEZNQCLSA-N 2 2 285.391 3.255 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@@H]2C)ccc1-n1cc[nH+]c1 ZINC001234032177 818762071 /nfs/dbraw/zinc/76/20/71/818762071.db2.gz HPYDBMAVRBTOEF-AWEZNQCLSA-N 2 2 285.391 3.255 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234031872 818762194 /nfs/dbraw/zinc/76/21/94/818762194.db2.gz BSOVSXRKVILSNV-UHFFFAOYSA-N 2 2 273.380 3.111 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(OC)c1)C(C)C ZINC001234031872 818762199 /nfs/dbraw/zinc/76/21/99/818762199.db2.gz BSOVSXRKVILSNV-UHFFFAOYSA-N 2 2 273.380 3.111 20 0 CGADLP CC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041123 818764184 /nfs/dbraw/zinc/76/41/84/818764184.db2.gz ACBQUHZGCAEDMV-ZDUSSCGKSA-N 2 2 273.380 3.111 20 0 CGADLP CC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234041123 818764189 /nfs/dbraw/zinc/76/41/89/818764189.db2.gz ACBQUHZGCAEDMV-ZDUSSCGKSA-N 2 2 273.380 3.111 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235031272 818984268 /nfs/dbraw/zinc/98/42/68/818984268.db2.gz FGIWXXGSQZHUDO-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235031272 818984274 /nfs/dbraw/zinc/98/42/74/818984274.db2.gz FGIWXXGSQZHUDO-HNNXBMFYSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235031274 818984917 /nfs/dbraw/zinc/98/49/17/818984917.db2.gz FGIWXXGSQZHUDO-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1C(F)(F)F ZINC001235031274 818984926 /nfs/dbraw/zinc/98/49/26/818984926.db2.gz FGIWXXGSQZHUDO-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cn1c(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc2ccccc21 ZINC001235166773 819020785 /nfs/dbraw/zinc/02/07/85/819020785.db2.gz BHESDDBIFDNIMD-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1c(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc2ccccc21 ZINC001235166773 819020791 /nfs/dbraw/zinc/02/07/91/819020791.db2.gz BHESDDBIFDNIMD-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP C[C@@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235212988 819038697 /nfs/dbraw/zinc/03/86/97/819038697.db2.gz HMBKATXTSSDPBE-ZSZQSSIHSA-N 2 2 280.415 3.237 20 0 CGADLP C[C@@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235212988 819038703 /nfs/dbraw/zinc/03/87/03/819038703.db2.gz HMBKATXTSSDPBE-ZSZQSSIHSA-N 2 2 280.415 3.237 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c(C)c12 ZINC001235260241 819055164 /nfs/dbraw/zinc/05/51/64/819055164.db2.gz NUCCRACQVPXQNY-RYUDHWBXSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c(C)c12 ZINC001235260241 819055168 /nfs/dbraw/zinc/05/51/68/819055168.db2.gz NUCCRACQVPXQNY-RYUDHWBXSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405121 819088392 /nfs/dbraw/zinc/08/83/92/819088392.db2.gz NUHPSUNOBWLVQH-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405121 819088400 /nfs/dbraw/zinc/08/84/00/819088400.db2.gz NUHPSUNOBWLVQH-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235709386 819147221 /nfs/dbraw/zinc/14/72/21/819147221.db2.gz GFWVNOSBDRDZKV-HOTGVXAUSA-N 2 2 296.842 3.058 20 0 CGADLP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235709386 819147222 /nfs/dbraw/zinc/14/72/22/819147222.db2.gz GFWVNOSBDRDZKV-HOTGVXAUSA-N 2 2 296.842 3.058 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OCC)c(CC)c2)CC1 ZINC001235726982 819154763 /nfs/dbraw/zinc/15/47/63/819154763.db2.gz UHDLVVWYQCPXCW-UHFFFAOYSA-N 2 2 290.451 3.222 20 0 CGADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1F ZINC001235800394 819171110 /nfs/dbraw/zinc/17/11/10/819171110.db2.gz NDQONOMYJWPGPY-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1F ZINC001235800394 819171115 /nfs/dbraw/zinc/17/11/15/819171115.db2.gz NDQONOMYJWPGPY-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842019 819183913 /nfs/dbraw/zinc/18/39/13/819183913.db2.gz LUOXNHWMTQDEEA-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001235842019 819183914 /nfs/dbraw/zinc/18/39/14/819183914.db2.gz LUOXNHWMTQDEEA-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP Clc1cccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885237 819196973 /nfs/dbraw/zinc/19/69/73/819196973.db2.gz UDTQIDAWZYOCSS-NWDGAFQWSA-N 2 2 299.245 3.392 20 0 CGADLP Clc1cccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885237 819196976 /nfs/dbraw/zinc/19/69/76/819196976.db2.gz UDTQIDAWZYOCSS-NWDGAFQWSA-N 2 2 299.245 3.392 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001235892159 819202317 /nfs/dbraw/zinc/20/23/17/819202317.db2.gz LUPYKEIVZGQUAQ-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001235892159 819202321 /nfs/dbraw/zinc/20/23/21/819202321.db2.gz LUPYKEIVZGQUAQ-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893649 819202985 /nfs/dbraw/zinc/20/29/85/819202985.db2.gz YBKMNLVIOSTSON-RISCZKNCSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001235893649 819202991 /nfs/dbraw/zinc/20/29/91/819202991.db2.gz YBKMNLVIOSTSON-RISCZKNCSA-N 2 2 286.341 3.060 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1Cl ZINC001235941992 819234680 /nfs/dbraw/zinc/23/46/80/819234680.db2.gz XODKEOPJEQLKRO-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1Cl ZINC001235941992 819234684 /nfs/dbraw/zinc/23/46/84/819234684.db2.gz XODKEOPJEQLKRO-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1c(C[N@@H+](CC[NH3+])C(C)C)cccc1C(F)(F)F ZINC001235948498 819237828 /nfs/dbraw/zinc/23/78/28/819237828.db2.gz ZDQWUADBQNJTIJ-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1c(C[N@H+](CC[NH3+])C(C)C)cccc1C(F)(F)F ZINC001235948498 819237834 /nfs/dbraw/zinc/23/78/34/819237834.db2.gz ZDQWUADBQNJTIJ-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+](CC[NH3+])C(C)C ZINC001235948502 819238359 /nfs/dbraw/zinc/23/83/59/819238359.db2.gz ZIFGZVZTIGHZAA-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+](CC[NH3+])C(C)C ZINC001235948502 819238364 /nfs/dbraw/zinc/23/83/64/819238364.db2.gz ZIFGZVZTIGHZAA-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958430 819245505 /nfs/dbraw/zinc/24/55/05/819245505.db2.gz IVSFYALWLALHHK-QHBPRCKVSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958430 819245507 /nfs/dbraw/zinc/24/55/07/819245507.db2.gz IVSFYALWLALHHK-QHBPRCKVSA-N 2 2 299.245 3.471 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982519 819258830 /nfs/dbraw/zinc/25/88/30/819258830.db2.gz VWBGXXVXWHEQJU-APWZRJJASA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982519 819258836 /nfs/dbraw/zinc/25/88/36/819258836.db2.gz VWBGXXVXWHEQJU-APWZRJJASA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990620 819262760 /nfs/dbraw/zinc/26/27/60/819262760.db2.gz MXWJMXQHCVOFPQ-UKRRQHHQSA-N 2 2 290.457 3.400 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990620 819262765 /nfs/dbraw/zinc/26/27/65/819262765.db2.gz MXWJMXQHCVOFPQ-UKRRQHHQSA-N 2 2 290.457 3.400 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235998436 819268054 /nfs/dbraw/zinc/26/80/54/819268054.db2.gz YUYLFBQAMJFPLP-WMLDXEAASA-N 2 2 299.443 3.042 20 0 CGADLP Cc1nc(-c2ccccc2)sc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235998436 819268060 /nfs/dbraw/zinc/26/80/60/819268060.db2.gz YUYLFBQAMJFPLP-WMLDXEAASA-N 2 2 299.443 3.042 20 0 CGADLP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCC[NH2+]C1 ZINC001236004538 819270199 /nfs/dbraw/zinc/27/01/99/819270199.db2.gz DVIAZJHMYGJNFO-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CCC[NH2+]C1 ZINC001236004538 819270204 /nfs/dbraw/zinc/27/02/04/819270204.db2.gz DVIAZJHMYGJNFO-ZDUSSCGKSA-N 2 2 291.826 3.395 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052362 819288738 /nfs/dbraw/zinc/28/87/38/819288738.db2.gz QKKLLFXEYQTXFT-GXTWGEPZSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052362 819288742 /nfs/dbraw/zinc/28/87/42/819288742.db2.gz QKKLLFXEYQTXFT-GXTWGEPZSA-N 2 2 272.367 3.148 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059426 819292636 /nfs/dbraw/zinc/29/26/36/819292636.db2.gz HSDGLPLIFWAZSU-YVVXQTMVSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059426 819292641 /nfs/dbraw/zinc/29/26/41/819292641.db2.gz HSDGLPLIFWAZSU-YVVXQTMVSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1cccc2c1C[N@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001236078598 819304493 /nfs/dbraw/zinc/30/44/93/819304493.db2.gz KDQDZAYCSUKDQC-CQSZACIVSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1cccc2c1C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001236078598 819304498 /nfs/dbraw/zinc/30/44/98/819304498.db2.gz KDQDZAYCSUKDQC-CQSZACIVSA-N 2 2 278.827 3.230 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236201799 819366107 /nfs/dbraw/zinc/36/61/07/819366107.db2.gz NIYYPMNALGNFCL-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236201799 819366113 /nfs/dbraw/zinc/36/61/13/819366113.db2.gz NIYYPMNALGNFCL-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP Cc1ccc2c(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c2c1 ZINC001236205165 819367042 /nfs/dbraw/zinc/36/70/42/819367042.db2.gz CHLLYGHCCGUCLI-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c[nH]c2c1 ZINC001236205165 819367047 /nfs/dbraw/zinc/36/70/47/819367047.db2.gz CHLLYGHCCGUCLI-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C ZINC001236204970 819367367 /nfs/dbraw/zinc/36/73/67/819367367.db2.gz DXMILRXAVSEGEO-QGZVFWFLSA-N 2 2 260.425 3.186 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C ZINC001236204970 819367371 /nfs/dbraw/zinc/36/73/71/819367371.db2.gz DXMILRXAVSEGEO-QGZVFWFLSA-N 2 2 260.425 3.186 20 0 CGADLP C[N@H+](Cc1cccc2occc21)[C@]1(C)CCC[NH2+]C1 ZINC001236206792 819369457 /nfs/dbraw/zinc/36/94/57/819369457.db2.gz MKNJUFFLHGKKRG-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1cccc2occc21)[C@]1(C)CCC[NH2+]C1 ZINC001236206792 819369464 /nfs/dbraw/zinc/36/94/64/819369464.db2.gz MKNJUFFLHGKKRG-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209796 819371381 /nfs/dbraw/zinc/37/13/81/819371381.db2.gz ZYSXDUFBVCQMND-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236209796 819371384 /nfs/dbraw/zinc/37/13/84/819371384.db2.gz ZYSXDUFBVCQMND-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP COc1ccc2oc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236215748 819379829 /nfs/dbraw/zinc/37/98/29/819379829.db2.gz XRVCACDTENYMER-CVEARBPZSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])cc2c1 ZINC001236215748 819379836 /nfs/dbraw/zinc/37/98/36/819379836.db2.gz XRVCACDTENYMER-CVEARBPZSA-N 2 2 288.391 3.143 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216856 819381781 /nfs/dbraw/zinc/38/17/81/819381781.db2.gz LLWSJGTWYJHZHQ-HOTGVXAUSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216856 819381785 /nfs/dbraw/zinc/38/17/85/819381785.db2.gz LLWSJGTWYJHZHQ-HOTGVXAUSA-N 2 2 276.424 3.177 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236221261 819387569 /nfs/dbraw/zinc/38/75/69/819387569.db2.gz BHEGKLKMJUCINW-KRWDZBQOSA-N 2 2 272.436 3.274 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236221261 819387574 /nfs/dbraw/zinc/38/75/74/819387574.db2.gz BHEGKLKMJUCINW-KRWDZBQOSA-N 2 2 272.436 3.274 20 0 CGADLP COc1cc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236235701 819396968 /nfs/dbraw/zinc/39/69/68/819396968.db2.gz FYCBSVMCWWOCFG-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP COc1cc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236235701 819396973 /nfs/dbraw/zinc/39/69/73/819396973.db2.gz FYCBSVMCWWOCFG-QGZVFWFLSA-N 2 2 288.435 3.028 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1C ZINC001236238083 819398154 /nfs/dbraw/zinc/39/81/54/819398154.db2.gz YTMWLKIZOFKIER-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1C ZINC001236238083 819398161 /nfs/dbraw/zinc/39/81/61/819398161.db2.gz YTMWLKIZOFKIER-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236241077 819401105 /nfs/dbraw/zinc/40/11/05/819401105.db2.gz QYAUCAVINBLLKG-GOSISDBHSA-N 2 2 297.446 3.378 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001236241077 819401112 /nfs/dbraw/zinc/40/11/12/819401112.db2.gz QYAUCAVINBLLKG-GOSISDBHSA-N 2 2 297.446 3.378 20 0 CGADLP COC(C)(C)CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270793 819411972 /nfs/dbraw/zinc/41/19/72/819411972.db2.gz WDCPJGZPHPXOLH-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP COC(C)(C)CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236270793 819411976 /nfs/dbraw/zinc/41/19/76/819411976.db2.gz WDCPJGZPHPXOLH-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP C[NH+]1CCC(c2ccc(-c3ccc(N)[nH+]c3)cc2)CC1 ZINC001236323954 819425945 /nfs/dbraw/zinc/42/59/45/819425945.db2.gz UNWPARGXABQWBC-UHFFFAOYSA-N 2 2 267.376 3.140 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001236417172 819463379 /nfs/dbraw/zinc/46/33/79/819463379.db2.gz GSKASBFMXLPBLM-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236417925 819463635 /nfs/dbraw/zinc/46/36/35/819463635.db2.gz FXQMWFJJMZJHPF-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236417925 819463637 /nfs/dbraw/zinc/46/36/37/819463637.db2.gz FXQMWFJJMZJHPF-QAPCUYQASA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419948 819466148 /nfs/dbraw/zinc/46/61/48/819466148.db2.gz MYPXGIJBBYVGGK-GUYCJALGSA-N 2 2 258.409 3.266 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236419948 819466150 /nfs/dbraw/zinc/46/61/50/819466150.db2.gz MYPXGIJBBYVGGK-GUYCJALGSA-N 2 2 258.409 3.266 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1cccc(C[NH+](C)C)c1 ZINC001236423387 819470508 /nfs/dbraw/zinc/47/05/08/819470508.db2.gz AQTLATQUPPCKLR-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP Cc1sccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236479436 819494959 /nfs/dbraw/zinc/49/49/59/819494959.db2.gz SUZJDGQGCWBURO-OAHLLOKOSA-N 2 2 266.454 3.267 20 0 CGADLP Cc1sccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236479436 819494962 /nfs/dbraw/zinc/49/49/62/819494962.db2.gz SUZJDGQGCWBURO-OAHLLOKOSA-N 2 2 266.454 3.267 20 0 CGADLP COc1ccc(CCC[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001236521499 819514638 /nfs/dbraw/zinc/51/46/38/819514638.db2.gz CQNRSDFNBSJOQH-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP COc1ccc(CCC[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001236521499 819514643 /nfs/dbraw/zinc/51/46/43/819514643.db2.gz CQNRSDFNBSJOQH-UHFFFAOYSA-N 2 2 298.430 3.089 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)n1 ZINC001236654109 819563159 /nfs/dbraw/zinc/56/31/59/819563159.db2.gz WFPDLFOBDYAQOW-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)n1 ZINC001236654109 819563164 /nfs/dbraw/zinc/56/31/64/819563164.db2.gz WFPDLFOBDYAQOW-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP c1cc2c(cccc2C[NH+]2CCC([NH+]3CCC3)CC2)o1 ZINC001236747539 819590594 /nfs/dbraw/zinc/59/05/94/819590594.db2.gz YATBYTJIDLXKAY-UHFFFAOYSA-N 2 2 270.376 3.103 20 0 CGADLP C[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236905581 819637002 /nfs/dbraw/zinc/63/70/02/819637002.db2.gz GFDCDBUEKQIBBF-NSHDSACASA-N 2 2 261.756 3.120 20 0 CGADLP C[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236905581 819637007 /nfs/dbraw/zinc/63/70/07/819637007.db2.gz GFDCDBUEKQIBBF-NSHDSACASA-N 2 2 261.756 3.120 20 0 CGADLP COc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144557 819678738 /nfs/dbraw/zinc/67/87/38/819678738.db2.gz JQNYPXSVDDOWIL-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001237144557 819678740 /nfs/dbraw/zinc/67/87/40/819678740.db2.gz JQNYPXSVDDOWIL-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP CCc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)s1 ZINC001237157234 819683454 /nfs/dbraw/zinc/68/34/54/819683454.db2.gz SCPSJUZFVMUVHP-CQSZACIVSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)s1 ZINC001237157234 819683457 /nfs/dbraw/zinc/68/34/57/819683457.db2.gz SCPSJUZFVMUVHP-CQSZACIVSA-N 2 2 278.465 3.417 20 0 CGADLP COc1ccc(C)c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237162106 819686331 /nfs/dbraw/zinc/68/63/31/819686331.db2.gz SDOWUDVZACERHS-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237162106 819686335 /nfs/dbraw/zinc/68/63/35/819686335.db2.gz SDOWUDVZACERHS-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP c1csc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237274439 819714065 /nfs/dbraw/zinc/71/40/65/819714065.db2.gz COHIKHZGDKLUTM-UHFFFAOYSA-N 2 2 298.455 3.385 20 0 CGADLP Fc1ccc2occ(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237402333 819743402 /nfs/dbraw/zinc/74/34/02/819743402.db2.gz GWDUSUOVYQOOTK-BLLLJJGKSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occ(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237402333 819743407 /nfs/dbraw/zinc/74/34/07/819743407.db2.gz GWDUSUOVYQOOTK-BLLLJJGKSA-N 2 2 288.366 3.146 20 0 CGADLP Cc1ccc(O)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238110890 819936644 /nfs/dbraw/zinc/93/66/44/819936644.db2.gz RCDWLXLQFKAFGY-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1ccc(O)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001238110890 819936648 /nfs/dbraw/zinc/93/66/48/819936648.db2.gz RCDWLXLQFKAFGY-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+](Cc1ccccc1)C1CC1 ZINC001238120097 819937989 /nfs/dbraw/zinc/93/79/89/819937989.db2.gz UEFZWBRWSJQAPI-UHFFFAOYSA-N 2 2 277.371 3.499 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+](Cc1ccccc1)C1CC1 ZINC001238120097 819937994 /nfs/dbraw/zinc/93/79/94/819937994.db2.gz UEFZWBRWSJQAPI-UHFFFAOYSA-N 2 2 277.371 3.499 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](Cc3cncc(C4CC4)c3)C2)cc[nH+]1 ZINC001238194185 819953134 /nfs/dbraw/zinc/95/31/34/819953134.db2.gz OCMMOBLFZPKBMP-SFHVURJKSA-N 2 2 295.386 3.007 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](Cc3cncc(C4CC4)c3)C2)cc[nH+]1 ZINC001238194185 819953139 /nfs/dbraw/zinc/95/31/39/819953139.db2.gz OCMMOBLFZPKBMP-SFHVURJKSA-N 2 2 295.386 3.007 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)c(C)c3C)C[C@@H]2C1 ZINC001238222067 819962973 /nfs/dbraw/zinc/96/29/73/819962973.db2.gz HWRVDBAWQHQBGN-HOTGVXAUSA-N 2 2 292.854 3.340 20 0 CGADLP C[NH+](C)Cc1ccccc1-c1cc[nH+]c(N2CCCC2)c1 ZINC001239682174 820518136 /nfs/dbraw/zinc/51/81/36/820518136.db2.gz WTPNLRRJOFZKQY-UHFFFAOYSA-N 2 2 281.403 3.410 20 0 CGADLP COCc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239954001 820735497 /nfs/dbraw/zinc/73/54/97/820735497.db2.gz LYLVSFSUDWYEDY-KRWDZBQOSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239954001 820735505 /nfs/dbraw/zinc/73/55/05/820735505.db2.gz LYLVSFSUDWYEDY-KRWDZBQOSA-N 2 2 296.414 3.033 20 0 CGADLP Cc1cc(-c2cccc(CC[NH+]3CCOCC3)c2)cc(C)[nH+]1 ZINC001240266390 820929148 /nfs/dbraw/zinc/92/91/48/820929148.db2.gz VXYWZMRHZXQQCD-UHFFFAOYSA-N 2 2 296.414 3.240 20 0 CGADLP Cc1cc(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001240594103 821175217 /nfs/dbraw/zinc/17/52/17/821175217.db2.gz CJHUNUBPBKGANB-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713123 821269319 /nfs/dbraw/zinc/26/93/19/821269319.db2.gz XYBONRXYCUZOSV-HNNXBMFYSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713123 821269326 /nfs/dbraw/zinc/26/93/26/821269326.db2.gz XYBONRXYCUZOSV-HNNXBMFYSA-N 2 2 291.398 3.368 20 0 CGADLP COCc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001240953995 821440497 /nfs/dbraw/zinc/44/04/97/821440497.db2.gz XGXFNBXOOZVNCE-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001240953995 821440500 /nfs/dbraw/zinc/44/05/00/821440500.db2.gz XGXFNBXOOZVNCE-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP CCOc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241117286 821572257 /nfs/dbraw/zinc/57/22/57/821572257.db2.gz WXXRQQRGKJFDOA-UHFFFAOYSA-N 2 2 293.370 3.087 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C[NH+](C)C)c1F ZINC001241252712 821674766 /nfs/dbraw/zinc/67/47/66/821674766.db2.gz ZNJSFJKTYGERQZ-UHFFFAOYSA-N 2 2 287.382 3.324 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)C[N@@H+](C)CC2 ZINC001241258032 821677846 /nfs/dbraw/zinc/67/78/46/821677846.db2.gz SEZSVXUWVJBJPA-UHFFFAOYSA-N 2 2 281.403 3.111 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)C[N@H+](C)CC2 ZINC001241258032 821677850 /nfs/dbraw/zinc/67/78/50/821677850.db2.gz SEZSVXUWVJBJPA-UHFFFAOYSA-N 2 2 281.403 3.111 20 0 CGADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1 ZINC001241353930 821756254 /nfs/dbraw/zinc/75/62/54/821756254.db2.gz RMZZQDLIVOJGPS-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC001342096857 936459064 /nfs/dbraw/zinc/45/90/64/936459064.db2.gz CTUXMZWBKADLTR-ZDUSSCGKSA-N 2 2 298.390 3.341 20 0 CGADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC001345097258 936801592 /nfs/dbraw/zinc/80/15/92/936801592.db2.gz ITZQQAXCCGMKNQ-HOTGVXAUSA-N 2 2 283.419 3.133 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001350553293 936994453 /nfs/dbraw/zinc/99/44/53/936994453.db2.gz OPNQFFRAGJJWOI-IRXDYDNUSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172830762 928225506 /nfs/dbraw/zinc/22/55/06/928225506.db2.gz KJXXYMMHXJQZOM-LJQANCHMSA-N 2 2 286.463 3.268 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172830762 928225520 /nfs/dbraw/zinc/22/55/20/928225520.db2.gz KJXXYMMHXJQZOM-LJQANCHMSA-N 2 2 286.463 3.268 20 0 CGADLP CCC(CC)C[NH2+]c1ccc(OCC[NH+](C)C)cc1OC ZINC001308436153 928526789 /nfs/dbraw/zinc/52/67/89/928526789.db2.gz HTMYSDUHFZBSBX-UHFFFAOYSA-N 2 2 294.439 3.484 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001460697685 937541288 /nfs/dbraw/zinc/54/12/88/937541288.db2.gz WEYOARDCWHZWNP-SFHVURJKSA-N 2 2 292.386 3.118 20 0 CGADLP CC[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001461260309 937572587 /nfs/dbraw/zinc/57/25/87/937572587.db2.gz REDRIEDKXQQQDQ-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001461260309 937572589 /nfs/dbraw/zinc/57/25/89/937572589.db2.gz REDRIEDKXQQQDQ-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1C ZINC001461682411 937592340 /nfs/dbraw/zinc/59/23/40/937592340.db2.gz OBIOZESFPRTFKO-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1C ZINC001461682411 937592341 /nfs/dbraw/zinc/59/23/41/937592341.db2.gz OBIOZESFPRTFKO-SFHVURJKSA-N 2 2 272.436 3.410 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001231079555 932674647 /nfs/dbraw/zinc/67/46/47/932674647.db2.gz KLLKYLVKRYTLEJ-QLPKVWCKSA-N 2 2 297.402 3.091 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001231079555 932674651 /nfs/dbraw/zinc/67/46/51/932674651.db2.gz KLLKYLVKRYTLEJ-QLPKVWCKSA-N 2 2 297.402 3.091 20 0 CGADLP Clc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001462386915 937637171 /nfs/dbraw/zinc/63/71/71/937637171.db2.gz NUIYXHQMANLXHS-DLBZAZTESA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001462386915 937637172 /nfs/dbraw/zinc/63/71/72/937637172.db2.gz NUIYXHQMANLXHS-DLBZAZTESA-N 2 2 292.854 3.489 20 0 CGADLP CC(C)CC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001462535779 937648521 /nfs/dbraw/zinc/64/85/21/937648521.db2.gz JNSCCEBTXTZBAN-SFHVURJKSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)CC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001462535779 937648524 /nfs/dbraw/zinc/64/85/24/937648524.db2.gz JNSCCEBTXTZBAN-SFHVURJKSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)C1CCC(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001308288282 933088937 /nfs/dbraw/zinc/08/89/37/933088937.db2.gz ROQCKOPMCOPRBA-KLAILNCOSA-N 2 2 266.473 3.380 20 0 CGADLP CC(C)C1CCC(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC001308288282 933088939 /nfs/dbraw/zinc/08/89/39/933088939.db2.gz ROQCKOPMCOPRBA-KLAILNCOSA-N 2 2 266.473 3.380 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CCSC1 ZINC001308298061 933091642 /nfs/dbraw/zinc/09/16/42/933091642.db2.gz NDIRFMVNWOUTBL-ZBFHGGJFSA-N 2 2 284.513 3.230 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415211 933108123 /nfs/dbraw/zinc/10/81/23/933108123.db2.gz UWINXWJHGPEJIT-BZSNNMDCSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001308415211 933108126 /nfs/dbraw/zinc/10/81/26/933108126.db2.gz UWINXWJHGPEJIT-BZSNNMDCSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308973970 933217740 /nfs/dbraw/zinc/21/77/40/933217740.db2.gz BPHARRYBQBFSNF-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308973970 933217744 /nfs/dbraw/zinc/21/77/44/933217744.db2.gz BPHARRYBQBFSNF-CQSZACIVSA-N 2 2 278.415 3.078 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001308974781 933218048 /nfs/dbraw/zinc/21/80/48/933218048.db2.gz KXPHBDVMSSZROX-IRXDYDNUSA-N 2 2 272.436 3.112 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001308974781 933218051 /nfs/dbraw/zinc/21/80/51/933218051.db2.gz KXPHBDVMSSZROX-IRXDYDNUSA-N 2 2 272.436 3.112 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2c1cccc2F ZINC001319920285 933959196 /nfs/dbraw/zinc/95/91/96/933959196.db2.gz ZDGAYNFLVQPBFU-INIZCTEOSA-N 2 2 273.355 3.032 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2c1cccc2F ZINC001319920285 933959202 /nfs/dbraw/zinc/95/92/02/933959202.db2.gz ZDGAYNFLVQPBFU-INIZCTEOSA-N 2 2 273.355 3.032 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485086 937808490 /nfs/dbraw/zinc/80/84/90/937808490.db2.gz VUVMZYPOVCPEGZ-TWMKSMIVSA-N 2 2 296.499 3.146 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485086 937808491 /nfs/dbraw/zinc/80/84/91/937808491.db2.gz VUVMZYPOVCPEGZ-TWMKSMIVSA-N 2 2 296.499 3.146 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C1CC1 ZINC001326430545 934979206 /nfs/dbraw/zinc/97/92/06/934979206.db2.gz OXMBMUCPRHBGPR-MRXNPFEDSA-N 2 2 286.423 3.224 20 0 CGADLP CCc1cccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001473689921 937817795 /nfs/dbraw/zinc/81/77/95/937817795.db2.gz RWWPWJBINLHPKT-ROUUACIJSA-N 2 2 272.436 3.023 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Cl)c(F)c1 ZINC001332401200 935465825 /nfs/dbraw/zinc/46/58/25/935465825.db2.gz KPZFBIGRMJSQST-TUBPYGPCSA-N 2 2 294.801 3.126 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001334054670 936082538 /nfs/dbraw/zinc/08/25/38/936082538.db2.gz ISBNXVXVBBGPFX-UXLLHSPISA-N 2 2 294.389 3.370 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001334054670 936082542 /nfs/dbraw/zinc/08/25/42/936082542.db2.gz ISBNXVXVBBGPFX-UXLLHSPISA-N 2 2 294.389 3.370 20 0 CGADLP Fc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1C(F)F ZINC001334935267 936122434 /nfs/dbraw/zinc/12/24/34/936122434.db2.gz IOWOGJZTNMHKPU-UHFFFAOYSA-N 2 2 283.297 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474744660 937878271 /nfs/dbraw/zinc/87/82/71/937878271.db2.gz KAUZJMZEJDMDIP-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474744660 937878273 /nfs/dbraw/zinc/87/82/73/937878273.db2.gz KAUZJMZEJDMDIP-ILXRZTDVSA-N 2 2 252.446 3.133 20 0 CGADLP c1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC23CCC3)cc1 ZINC001549338282 938156724 /nfs/dbraw/zinc/15/67/24/938156724.db2.gz WKJHQFSFBHNCOB-ULQDDVLXSA-N 2 2 270.420 3.054 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001551377424 938180325 /nfs/dbraw/zinc/18/03/25/938180325.db2.gz HXZOISHBHVLUQL-BPQIPLTHSA-N 2 2 298.817 3.022 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)F)C1 ZINC001551377114 938180439 /nfs/dbraw/zinc/18/04/39/938180439.db2.gz CYLQSDNXEOFUCY-PAPYEOQZSA-N 2 2 280.362 3.025 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC001551378359 938180598 /nfs/dbraw/zinc/18/05/98/938180598.db2.gz OWIXYDYYJWOGSR-HCJITBMDSA-N 2 2 280.362 3.025 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC001551378093 938180731 /nfs/dbraw/zinc/18/07/31/938180731.db2.gz MAQNTLBZPHMHAM-OKZBNKHCSA-N 2 2 266.388 3.352 20 0 CGADLP CCc1ccccc1CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233801 938248484 /nfs/dbraw/zinc/24/84/84/938248484.db2.gz MJZQFEDPBMMUPM-UHFFFAOYSA-N 2 2 297.446 3.405 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001560361054 938255129 /nfs/dbraw/zinc/25/51/29/938255129.db2.gz HSABEIXKOSUJNA-IUODEOHRSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001560361054 938255130 /nfs/dbraw/zinc/25/51/30/938255130.db2.gz HSABEIXKOSUJNA-IUODEOHRSA-N 2 2 296.842 3.311 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001560929973 938284616 /nfs/dbraw/zinc/28/46/16/938284616.db2.gz NMRIYMACUNNFMF-JKSUJKDBSA-N 2 2 254.462 3.379 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001560972599 938287476 /nfs/dbraw/zinc/28/74/76/938287476.db2.gz SCFXPUYGCISMQX-GDBMZVCRSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001560972599 938287478 /nfs/dbraw/zinc/28/74/78/938287478.db2.gz SCFXPUYGCISMQX-GDBMZVCRSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001560972599 938287479 /nfs/dbraw/zinc/28/74/79/938287479.db2.gz SCFXPUYGCISMQX-GDBMZVCRSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001560972599 938287481 /nfs/dbraw/zinc/28/74/81/938287481.db2.gz SCFXPUYGCISMQX-GDBMZVCRSA-N 2 2 290.451 3.412 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)(F)F ZINC001577526862 962554152 /nfs/dbraw/zinc/55/41/52/962554152.db2.gz HQDPUUNGQIFFKK-CYBMUJFWSA-N 2 2 292.320 3.317 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)(F)F ZINC001577526862 962554163 /nfs/dbraw/zinc/55/41/63/962554163.db2.gz HQDPUUNGQIFFKK-CYBMUJFWSA-N 2 2 292.320 3.317 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)sc1Cl ZINC001578572029 962597854 /nfs/dbraw/zinc/59/78/54/962597854.db2.gz ZURAARANPJQJIP-ZETCQYMHSA-N 2 2 267.225 3.143 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1F ZINC001580030453 962685268 /nfs/dbraw/zinc/68/52/68/962685268.db2.gz MZQMAXJUDDLFBC-CWDCEQMOSA-N 2 2 292.373 3.242 20 0 CGADLP c1cn(-c2cccc(N[C@@H]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2)c[nH+]1 ZINC001580890161 962746561 /nfs/dbraw/zinc/74/65/61/962746561.db2.gz INKHQHZTLPPJLH-QGPMSJSTSA-N 2 2 296.418 3.205 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+]1CCCC[C@H]1C ZINC000337388644 214046882 /nfs/dbraw/zinc/04/68/82/214046882.db2.gz JKZDANZZUOGCQZ-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+]1CCCC[C@H]1C ZINC000337388644 214046884 /nfs/dbraw/zinc/04/68/84/214046884.db2.gz JKZDANZZUOGCQZ-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337390054 214047597 /nfs/dbraw/zinc/04/75/97/214047597.db2.gz KIVNHYWZZGIDKP-CQSZACIVSA-N 2 2 294.439 3.048 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425525 214074498 /nfs/dbraw/zinc/07/44/98/214074498.db2.gz SFKKAIMOEYZJKX-DZKIICNBSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425525 214074501 /nfs/dbraw/zinc/07/45/01/214074501.db2.gz SFKKAIMOEYZJKX-DZKIICNBSA-N 2 2 290.455 3.132 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651225543 398218158 /nfs/dbraw/zinc/21/81/58/398218158.db2.gz MMRBHSXWBWICAY-IRXDYDNUSA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000651225543 398218161 /nfs/dbraw/zinc/21/81/61/398218161.db2.gz MMRBHSXWBWICAY-IRXDYDNUSA-N 2 2 262.441 3.029 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000651225512 398218424 /nfs/dbraw/zinc/21/84/24/398218424.db2.gz FRPRHCKGRQLFSE-CABCVRRESA-N 2 2 264.438 3.273 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000651225512 398218427 /nfs/dbraw/zinc/21/84/27/398218427.db2.gz FRPRHCKGRQLFSE-CABCVRRESA-N 2 2 264.438 3.273 20 0 CGADLP FC(F)[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCCC1 ZINC000621401757 349520579 /nfs/dbraw/zinc/52/05/79/349520579.db2.gz IVSUXOKGIYEKIL-ZDUSSCGKSA-N 2 2 271.355 3.077 20 0 CGADLP CCc1cc(OC)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337547183 214150427 /nfs/dbraw/zinc/15/04/27/214150427.db2.gz MFQVGJCVDCQIMM-UHFFFAOYSA-N 2 2 299.418 3.360 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000125122318 187170391 /nfs/dbraw/zinc/17/03/91/187170391.db2.gz DLWIDPBPXQJEMK-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780436 349585132 /nfs/dbraw/zinc/58/51/32/349585132.db2.gz RMXWMAUXRLOTKO-ZIAGYGMSSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780436 349585136 /nfs/dbraw/zinc/58/51/36/349585136.db2.gz RMXWMAUXRLOTKO-ZIAGYGMSSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780433 349585202 /nfs/dbraw/zinc/58/52/02/349585202.db2.gz RMXWMAUXRLOTKO-KBPBESRZSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000621780433 349585207 /nfs/dbraw/zinc/58/52/07/349585207.db2.gz RMXWMAUXRLOTKO-KBPBESRZSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782069 349585667 /nfs/dbraw/zinc/58/56/67/349585667.db2.gz MEFRIYXIHDGGOY-RHSMWYFYSA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC000621782069 349585670 /nfs/dbraw/zinc/58/56/70/349585670.db2.gz MEFRIYXIHDGGOY-RHSMWYFYSA-N 2 2 299.443 3.123 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358136712 529413237 /nfs/dbraw/zinc/41/32/37/529413237.db2.gz AGGIEGNORLZPGJ-CABCVRRESA-N 2 2 275.440 3.070 20 0 CGADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437080249 529421191 /nfs/dbraw/zinc/42/11/91/529421191.db2.gz YZYVNTUIMQYAKH-RRFJBIMHSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423442406 529454081 /nfs/dbraw/zinc/45/40/81/529454081.db2.gz BSNKERQSPYYGAQ-MNOVXSKESA-N 2 2 293.411 3.337 20 0 CGADLP Cc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000125884928 187203455 /nfs/dbraw/zinc/20/34/55/187203455.db2.gz STRUCQSMHSKJDA-ZIAGYGMSSA-N 2 2 264.413 3.046 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082545 346899432 /nfs/dbraw/zinc/89/94/32/346899432.db2.gz IDZFHWVKFNVMGX-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591082545 346899434 /nfs/dbraw/zinc/89/94/34/346899434.db2.gz IDZFHWVKFNVMGX-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Cc1cc(-c2ccc(CC[NH+](C)C)cc2)c2[nH+]ccn2c1 ZINC000623168988 349762190 /nfs/dbraw/zinc/76/21/90/349762190.db2.gz ADFJEUVPWCQCFA-UHFFFAOYSA-N 2 2 279.387 3.414 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1Br ZINC000423314460 529611273 /nfs/dbraw/zinc/61/12/73/529611273.db2.gz HHMPZRQLCWZZIV-KGLIPLIRSA-N 2 2 297.240 3.227 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423229585 529620351 /nfs/dbraw/zinc/62/03/51/529620351.db2.gz BPOCIDMDBIKGJQ-OCCSQVGLSA-N 2 2 284.350 3.081 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423497424 529616608 /nfs/dbraw/zinc/61/66/08/529616608.db2.gz GYFGSHBVCIXEAP-RCCFBDPRSA-N 2 2 272.436 3.417 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423510517 529616918 /nfs/dbraw/zinc/61/69/18/529616918.db2.gz SKRFPRWTLBPZTI-AUUYWEPGSA-N 2 2 298.430 3.092 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccc1Br ZINC000423439230 529650745 /nfs/dbraw/zinc/65/07/45/529650745.db2.gz HTBRODPPUXFAGX-NRUUGDAUSA-N 2 2 285.229 3.226 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)[NH+](C)C)cc1 ZINC000449063595 529723655 /nfs/dbraw/zinc/72/36/55/529723655.db2.gz NABDEWMLLWHMJN-ZZCKCESHSA-N 2 2 290.451 3.007 20 0 CGADLP Cc1cnc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000351332585 219091177 /nfs/dbraw/zinc/09/11/77/219091177.db2.gz TUTHKSLVUBJABB-ZDUSSCGKSA-N 2 2 275.421 3.438 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367590031 529785197 /nfs/dbraw/zinc/78/51/97/529785197.db2.gz RVOQXBNQLHUZRW-BRWVUGGUSA-N 2 2 273.424 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367590031 529785199 /nfs/dbraw/zinc/78/51/99/529785199.db2.gz RVOQXBNQLHUZRW-BRWVUGGUSA-N 2 2 273.424 3.037 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728274 349872155 /nfs/dbraw/zinc/87/21/55/349872155.db2.gz GDUJHHCNMAMUJZ-DDKKJVIOSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728274 349872160 /nfs/dbraw/zinc/87/21/60/349872160.db2.gz GDUJHHCNMAMUJZ-DDKKJVIOSA-N 2 2 288.410 3.445 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728849 349872225 /nfs/dbraw/zinc/87/22/25/349872225.db2.gz CBDWNFAAWZTXSA-IEAZIUSSSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623728849 349872230 /nfs/dbraw/zinc/87/22/30/349872230.db2.gz CBDWNFAAWZTXSA-IEAZIUSSSA-N 2 2 262.441 3.028 20 0 CGADLP CSC1(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)CCC1 ZINC000592529358 346997565 /nfs/dbraw/zinc/99/75/65/346997565.db2.gz LDYIGWIQACBIIL-UHFFFAOYSA-N 2 2 289.448 3.061 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC34CC4)c[nH+]c12 ZINC000623824640 349890839 /nfs/dbraw/zinc/89/08/39/349890839.db2.gz LSLYHTITZFRKDK-AWEZNQCLSA-N 2 2 269.392 3.313 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCc2scnc21)C[NH+]1CCCCC1 ZINC000623867914 349900120 /nfs/dbraw/zinc/90/01/20/349900120.db2.gz NUVFHGDRYABRIU-UONOGXRCSA-N 2 2 293.480 3.232 20 0 CGADLP Fc1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351570385 219130374 /nfs/dbraw/zinc/13/03/74/219130374.db2.gz VDQLTAGEUWDSTE-UHFFFAOYSA-N 2 2 282.322 3.078 20 0 CGADLP C[N@H+](C[C@@H]1CCSC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426168332 529956810 /nfs/dbraw/zinc/95/68/10/529956810.db2.gz YYFIMMVUAGXAAF-HNNXBMFYSA-N 2 2 284.513 3.326 20 0 CGADLP C[N@@H+](C[C@@H]1CCSC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426168332 529956812 /nfs/dbraw/zinc/95/68/12/529956812.db2.gz YYFIMMVUAGXAAF-HNNXBMFYSA-N 2 2 284.513 3.326 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623891589 349907521 /nfs/dbraw/zinc/90/75/21/349907521.db2.gz PUZPAUIPWJPENS-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623891589 349907522 /nfs/dbraw/zinc/90/75/22/349907522.db2.gz PUZPAUIPWJPENS-RYRKJORJSA-N 2 2 290.451 3.054 20 0 CGADLP C[N@H+]1CC=C(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000334979844 530047536 /nfs/dbraw/zinc/04/75/36/530047536.db2.gz OWRPNHLGFRFEHL-UHFFFAOYSA-N 2 2 271.339 3.048 20 0 CGADLP C[N@@H+]1CC=C(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000334979844 530047537 /nfs/dbraw/zinc/04/75/37/530047537.db2.gz OWRPNHLGFRFEHL-UHFFFAOYSA-N 2 2 271.339 3.048 20 0 CGADLP c1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000034302904 344938641 /nfs/dbraw/zinc/93/86/41/344938641.db2.gz NGPFTUDFIIUODH-UHFFFAOYSA-N 2 2 281.403 3.201 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767754 344966207 /nfs/dbraw/zinc/96/62/07/344966207.db2.gz JPMMZGZDYZBZOS-OAHLLOKOSA-N 2 2 264.413 3.066 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154618851 232220060 /nfs/dbraw/zinc/22/00/60/232220060.db2.gz NVKIQPCIYGGMNN-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154618851 232220061 /nfs/dbraw/zinc/22/00/61/232220061.db2.gz NVKIQPCIYGGMNN-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP CC[C@H](C[NH2+][C@H](c1cccnc1)C(C)C)[NH+]1CCCC1 ZINC000091284171 345810230 /nfs/dbraw/zinc/81/02/30/345810230.db2.gz ZMOJRMBDVYDTDI-SJORKVTESA-N 2 2 275.440 3.243 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(F)c1 ZINC000090847478 345796102 /nfs/dbraw/zinc/79/61/02/345796102.db2.gz UFCKBWZTPFAASO-CYBMUJFWSA-N 2 2 258.340 3.422 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(F)c1 ZINC000090847449 345796365 /nfs/dbraw/zinc/79/63/65/345796365.db2.gz WEWOPSWYFRSKGU-ZDUSSCGKSA-N 2 2 288.366 3.431 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000115609896 345972766 /nfs/dbraw/zinc/97/27/66/345972766.db2.gz NOXALIKMBXGNIC-UHFFFAOYSA-N 2 2 290.382 3.435 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527468 346013188 /nfs/dbraw/zinc/01/31/88/346013188.db2.gz YJQYIQKOPLUPLB-MWLCHTKSSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000124527468 346013191 /nfs/dbraw/zinc/01/31/91/346013191.db2.gz YJQYIQKOPLUPLB-MWLCHTKSSA-N 2 2 273.207 3.305 20 0 CGADLP C([C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC000170695343 346197061 /nfs/dbraw/zinc/19/70/61/346197061.db2.gz RHEWBOWDEKIEMJ-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C([C@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC000170695343 346197062 /nfs/dbraw/zinc/19/70/62/346197062.db2.gz RHEWBOWDEKIEMJ-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC3=CCCCC3)CC2)nc1 ZINC000295131265 199362232 /nfs/dbraw/zinc/36/22/32/199362232.db2.gz OOINIAZAIMHAHA-UHFFFAOYSA-N 2 2 285.435 3.136 20 0 CGADLP COC[C@@H](C)C[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000187766316 346260955 /nfs/dbraw/zinc/26/09/55/346260955.db2.gz GTKNEMYCVPQWJK-FUHWJXTLSA-N 2 2 290.451 3.004 20 0 CGADLP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000236619696 346341328 /nfs/dbraw/zinc/34/13/28/346341328.db2.gz OJXOHQUJGTXIIS-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236619696 346341330 /nfs/dbraw/zinc/34/13/30/346341330.db2.gz OJXOHQUJGTXIIS-INIZCTEOSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]1c1ccccc1 ZINC000248919797 346379876 /nfs/dbraw/zinc/37/98/76/346379876.db2.gz DWKMGCNNKBNEGW-RBUKOAKNSA-N 2 2 298.405 3.403 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]1c1ccccc1 ZINC000248919797 346379878 /nfs/dbraw/zinc/37/98/78/346379878.db2.gz DWKMGCNNKBNEGW-RBUKOAKNSA-N 2 2 298.405 3.403 20 0 CGADLP CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)s1 ZINC000312378376 346476905 /nfs/dbraw/zinc/47/69/05/346476905.db2.gz JGRIFLBEVJEOCF-DLBZAZTESA-N 2 2 286.444 3.237 20 0 CGADLP CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)s1 ZINC000312378376 346476909 /nfs/dbraw/zinc/47/69/09/346476909.db2.gz JGRIFLBEVJEOCF-DLBZAZTESA-N 2 2 286.444 3.237 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000395249536 346578118 /nfs/dbraw/zinc/57/81/18/346578118.db2.gz ZJDYETNGZONHAV-UHFFFAOYSA-N 2 2 277.799 3.415 20 0 CGADLP CCS[C@H]1CCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000397468345 346583012 /nfs/dbraw/zinc/58/30/12/346583012.db2.gz PAOXCSYUVOVLJZ-GJZGRUSLSA-N 2 2 264.438 3.196 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000583260662 346679254 /nfs/dbraw/zinc/67/92/54/346679254.db2.gz WZJGHKQPGLWSLK-CQSZACIVSA-N 2 2 269.392 3.241 20 0 CGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CSCCF ZINC000595043250 347267170 /nfs/dbraw/zinc/26/71/70/347267170.db2.gz VOAVHOZMLBWBAR-GJZGRUSLSA-N 2 2 290.492 3.178 20 0 CGADLP CCc1cc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nc[nH+]1 ZINC000603390809 348078270 /nfs/dbraw/zinc/07/82/70/348078270.db2.gz OLWAXZVLKAPMPK-AWEZNQCLSA-N 2 2 298.434 3.002 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000606433625 348182484 /nfs/dbraw/zinc/18/24/84/348182484.db2.gz TUJKGTBMLUIKOV-INIZCTEOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000606433625 348182488 /nfs/dbraw/zinc/18/24/88/348182488.db2.gz TUJKGTBMLUIKOV-INIZCTEOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC(F)F)cc1C ZINC000608054707 348279069 /nfs/dbraw/zinc/27/90/69/348279069.db2.gz YGVXDUPIMLEYLE-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(OC(F)F)cc1C ZINC000608054707 348279071 /nfs/dbraw/zinc/27/90/71/348279071.db2.gz YGVXDUPIMLEYLE-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC([NH3+])CC1 ZINC000034958697 290214986 /nfs/dbraw/zinc/21/49/86/290214986.db2.gz ASEAVLOOHUGRCB-SECBINFHSA-N 2 2 273.207 3.478 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2c(C)c1 ZINC000359077085 233255588 /nfs/dbraw/zinc/25/55/88/233255588.db2.gz XQFKVLLXTPGCGS-CQSZACIVSA-N 2 2 282.391 3.160 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212227 350141363 /nfs/dbraw/zinc/14/13/63/350141363.db2.gz VEEVHRSBNYDQQA-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC000625212227 350141365 /nfs/dbraw/zinc/14/13/65/350141365.db2.gz VEEVHRSBNYDQQA-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625212227 350141368 /nfs/dbraw/zinc/14/13/68/350141368.db2.gz VEEVHRSBNYDQQA-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625212227 350141369 /nfs/dbraw/zinc/14/13/69/350141369.db2.gz VEEVHRSBNYDQQA-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213626 350141554 /nfs/dbraw/zinc/14/15/54/350141554.db2.gz MRKPPAHQVXMDNY-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213626 350141557 /nfs/dbraw/zinc/14/15/57/350141557.db2.gz MRKPPAHQVXMDNY-TZMCWYRMSA-N 2 2 296.842 3.350 20 0 CGADLP Cc1c[nH+]ccc1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000359536187 233330201 /nfs/dbraw/zinc/33/02/01/233330201.db2.gz WSNNYMOBSWMWRR-UHFFFAOYSA-N 2 2 292.386 3.271 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000271356269 191093227 /nfs/dbraw/zinc/09/32/27/191093227.db2.gz DXKSQMZQDQTRLW-MRXNPFEDSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000271356269 191093228 /nfs/dbraw/zinc/09/32/28/191093228.db2.gz DXKSQMZQDQTRLW-MRXNPFEDSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1nc(C)c(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)o1 ZINC000628199746 350437371 /nfs/dbraw/zinc/43/73/71/350437371.db2.gz GLXWLUWJAFNXQG-UHFFFAOYSA-N 2 2 298.390 3.129 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628214431 350444465 /nfs/dbraw/zinc/44/44/65/350444465.db2.gz XHIRIJCDPIKZMQ-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628214431 350444468 /nfs/dbraw/zinc/44/44/68/350444468.db2.gz XHIRIJCDPIKZMQ-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP CCC[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)OCC ZINC000628381722 350520945 /nfs/dbraw/zinc/52/09/45/350520945.db2.gz RBLQZAFVSIJBIT-MRXNPFEDSA-N 2 2 264.413 3.117 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1OC(F)F ZINC000629526404 350702144 /nfs/dbraw/zinc/70/21/44/350702144.db2.gz STECJYFWYRWBHQ-MELADBBJSA-N 2 2 298.377 3.469 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000629526392 350702158 /nfs/dbraw/zinc/70/21/58/350702158.db2.gz SJPICZWGIDOIMU-LEWSCRJBSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000629526824 350702519 /nfs/dbraw/zinc/70/25/19/350702519.db2.gz ANFZYYRHVNDEEP-YESZJQIVSA-N 2 2 258.409 3.103 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC000629537552 350705641 /nfs/dbraw/zinc/70/56/41/350705641.db2.gz JVCQOGKSNXXCPY-XYPHTWIQSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1C(F)(F)F ZINC000629537012 350705879 /nfs/dbraw/zinc/70/58/79/350705879.db2.gz KLRRUMCCHWMOCE-WOPDTQHZSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C[NH2+]1 ZINC000629540200 350706653 /nfs/dbraw/zinc/70/66/53/350706653.db2.gz RGPARSITUXHHMD-FRFSOERESA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629540329 350706660 /nfs/dbraw/zinc/70/66/60/350706660.db2.gz WFELJZJFDMZLJT-DFBGVHRSSA-N 2 2 250.361 3.007 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542554 350707497 /nfs/dbraw/zinc/70/74/97/350707497.db2.gz FSISBAGMPOXOMP-IGCXYCKISA-N 2 2 288.435 3.148 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2ccccc2n1 ZINC000629541848 350707832 /nfs/dbraw/zinc/70/78/32/350707832.db2.gz XEVHEFNBTBKJJU-VNHYZAJKSA-N 2 2 269.392 3.026 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000629543105 350708270 /nfs/dbraw/zinc/70/82/70/350708270.db2.gz SYSZVDURDOGTEH-BNOWGMLFSA-N 2 2 252.427 3.319 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629394816 350688270 /nfs/dbraw/zinc/68/82/70/350688270.db2.gz MNRYBVCMBXEANX-ZBFHGGJFSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[NH2+]1 ZINC000629396525 350688378 /nfs/dbraw/zinc/68/83/78/350688378.db2.gz MGQCKSCDTIJZHU-ZANVPECISA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000629396348 350688399 /nfs/dbraw/zinc/68/83/99/350688399.db2.gz YJYWQAHGUOCMQV-GXSJLCMTSA-N 2 2 273.207 3.224 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000629516848 350699491 /nfs/dbraw/zinc/69/94/91/350699491.db2.gz SJXQMZZHNXDQMZ-WBMJQRKESA-N 2 2 294.826 3.010 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(OC(F)F)cc1 ZINC000629524370 350701322 /nfs/dbraw/zinc/70/13/22/350701322.db2.gz PVUFJHBPBITBOX-QLFBSQMISA-N 2 2 298.377 3.469 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000631034119 350932184 /nfs/dbraw/zinc/93/21/84/350932184.db2.gz GKGOQKSDDMNWND-SNAWJCMRSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000631115388 350959704 /nfs/dbraw/zinc/95/97/04/350959704.db2.gz RKNWUQGRTSFWNV-VGOKWCNXSA-N 2 2 295.430 3.426 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@@H](Sc3ccccc3)C1)CCC2 ZINC000631252092 351006227 /nfs/dbraw/zinc/00/62/27/351006227.db2.gz MZKLFXSDYFTKMX-SAZUREKKSA-N 2 2 299.443 3.242 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884561 351152200 /nfs/dbraw/zinc/15/22/00/351152200.db2.gz LEXJDEPYGGBNTR-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631884561 351152204 /nfs/dbraw/zinc/15/22/04/351152204.db2.gz LEXJDEPYGGBNTR-NHYWBVRUSA-N 2 2 282.790 3.053 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000635006284 351624400 /nfs/dbraw/zinc/62/44/00/351624400.db2.gz LTEQRZIKFFTHIS-ZOBUZTSGSA-N 3 2 298.434 3.040 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445659 191140188 /nfs/dbraw/zinc/14/01/88/191140188.db2.gz CHIREUAABGCOEA-UKRRQHHQSA-N 2 2 270.380 3.030 20 0 CGADLP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445659 191140189 /nfs/dbraw/zinc/14/01/89/191140189.db2.gz CHIREUAABGCOEA-UKRRQHHQSA-N 2 2 270.380 3.030 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000123064746 187069098 /nfs/dbraw/zinc/06/90/98/187069098.db2.gz KVKSNZQFRYGDRY-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@H+]1C ZINC000123064746 187069099 /nfs/dbraw/zinc/06/90/99/187069099.db2.gz KVKSNZQFRYGDRY-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123064746 187069100 /nfs/dbraw/zinc/06/91/00/187069100.db2.gz KVKSNZQFRYGDRY-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123064746 187069101 /nfs/dbraw/zinc/06/91/01/187069101.db2.gz KVKSNZQFRYGDRY-TZMCWYRMSA-N 2 2 298.377 3.203 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000365405235 234100362 /nfs/dbraw/zinc/10/03/62/234100362.db2.gz SDBKVUZIMARNHY-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000365405235 234100365 /nfs/dbraw/zinc/10/03/65/234100365.db2.gz SDBKVUZIMARNHY-AWEZNQCLSA-N 2 2 284.806 3.395 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000366229305 234156675 /nfs/dbraw/zinc/15/66/75/234156675.db2.gz IDHGSEATBYYSPA-KBPBESRZSA-N 2 2 273.380 3.321 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292159359 198186252 /nfs/dbraw/zinc/18/62/52/198186252.db2.gz OIZRMNAFQRHZHJ-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292159359 198186254 /nfs/dbraw/zinc/18/62/54/198186254.db2.gz OIZRMNAFQRHZHJ-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292159359 198186255 /nfs/dbraw/zinc/18/62/55/198186255.db2.gz OIZRMNAFQRHZHJ-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292159359 198186257 /nfs/dbraw/zinc/18/62/57/198186257.db2.gz OIZRMNAFQRHZHJ-CZUORRHYSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCCC1 ZINC000367439913 234215608 /nfs/dbraw/zinc/21/56/08/234215608.db2.gz YFWDJKPWNDQYMS-ZDUSSCGKSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000367599870 234230625 /nfs/dbraw/zinc/23/06/25/234230625.db2.gz IGZKRPWWCFKDRD-STQMWFEESA-N 2 2 295.390 3.316 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCCF)[nH+]1 ZINC000367553680 234225329 /nfs/dbraw/zinc/22/53/29/234225329.db2.gz ORFKKYMLLHYAJL-CQSZACIVSA-N 2 2 265.376 3.016 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCCF)[nH+]1 ZINC000367553680 234225332 /nfs/dbraw/zinc/22/53/32/234225332.db2.gz ORFKKYMLLHYAJL-CQSZACIVSA-N 2 2 265.376 3.016 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000367699292 234243573 /nfs/dbraw/zinc/24/35/73/234243573.db2.gz HNXKKXRQJQXXFN-XYBNCVKDSA-N 2 2 285.366 3.062 20 0 CGADLP c1c[nH]c([C@@H]([NH2+]CCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000367617585 234234162 /nfs/dbraw/zinc/23/41/62/234234162.db2.gz QSELKBSIQJVBAJ-INIZCTEOSA-N 2 2 290.455 3.107 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000368102979 234282827 /nfs/dbraw/zinc/28/28/27/234282827.db2.gz REFYVOYDRMAURA-YOEHRIQHSA-N 2 2 267.376 3.008 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)CC2 ZINC000368102979 234282829 /nfs/dbraw/zinc/28/28/29/234282829.db2.gz REFYVOYDRMAURA-YOEHRIQHSA-N 2 2 267.376 3.008 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088852 234279523 /nfs/dbraw/zinc/27/95/23/234279523.db2.gz IIDBOTSTTLIIDY-YESZJQIVSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000368088852 234279526 /nfs/dbraw/zinc/27/95/26/234279526.db2.gz IIDBOTSTTLIIDY-YESZJQIVSA-N 2 2 295.430 3.268 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153432564 188082116 /nfs/dbraw/zinc/08/21/16/188082116.db2.gz QQIUQEUJRWHYTH-HUUCEWRRSA-N 2 2 296.480 3.146 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000295165833 199383036 /nfs/dbraw/zinc/38/30/36/199383036.db2.gz SSHWUVWXLWPYNS-SJORKVTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000295165833 199383038 /nfs/dbraw/zinc/38/30/38/199383038.db2.gz SSHWUVWXLWPYNS-SJORKVTESA-N 2 2 288.410 3.420 20 0 CGADLP CCCC[C@H](COC)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156198062 188249053 /nfs/dbraw/zinc/24/90/53/188249053.db2.gz UMPMBKVGKGQDIF-CQSZACIVSA-N 2 2 289.423 3.290 20 0 CGADLP CSC[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000292737930 198393823 /nfs/dbraw/zinc/39/38/23/198393823.db2.gz HBCZAFXBHGOUGS-HNNXBMFYSA-N 2 2 278.465 3.398 20 0 CGADLP CSC[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000292737930 198393825 /nfs/dbraw/zinc/39/38/25/198393825.db2.gz HBCZAFXBHGOUGS-HNNXBMFYSA-N 2 2 278.465 3.398 20 0 CGADLP CSc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000170987168 188708713 /nfs/dbraw/zinc/70/87/13/188708713.db2.gz YGYSTSXJAUSNOG-UHFFFAOYSA-N 2 2 278.465 3.371 20 0 CGADLP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271766178 191312564 /nfs/dbraw/zinc/31/25/64/191312564.db2.gz AWHSOSNALHWLAK-SJLPKXTDSA-N 2 2 283.419 3.226 20 0 CGADLP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000271766178 191312566 /nfs/dbraw/zinc/31/25/66/191312566.db2.gz AWHSOSNALHWLAK-SJLPKXTDSA-N 2 2 283.419 3.226 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000414085746 235332769 /nfs/dbraw/zinc/33/27/69/235332769.db2.gz YTUJMVLPHHSGKR-ABFRBSLYSA-N 2 2 260.425 3.232 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000414126322 235341774 /nfs/dbraw/zinc/34/17/74/235341774.db2.gz OFHXMKGNNONGNK-GOSISDBHSA-N 2 2 283.419 3.484 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@@H+]1C1CC1 ZINC000449195550 291084920 /nfs/dbraw/zinc/08/49/20/291084920.db2.gz ZISSOWHTRYANCV-WZYWGQKZSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@H+]1C1CC1 ZINC000449195550 291084922 /nfs/dbraw/zinc/08/49/22/291084922.db2.gz ZISSOWHTRYANCV-WZYWGQKZSA-N 2 2 250.430 3.026 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC000462790499 535313732 /nfs/dbraw/zinc/31/37/32/535313732.db2.gz NNWRHLXDEVPLQP-WNRNVDISSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC(F)(F)CC3)n2c1 ZINC000336324832 213169951 /nfs/dbraw/zinc/16/99/51/213169951.db2.gz VXZGETNVZSAVDL-UHFFFAOYSA-N 2 2 279.334 3.310 20 0 CGADLP CCC[N@H+](CCC[NH3+])Cc1c(F)cccc1Cl ZINC000414680182 283224989 /nfs/dbraw/zinc/22/49/89/283224989.db2.gz SUUWCYIHTMIHQI-UHFFFAOYSA-N 2 2 258.768 3.040 20 0 CGADLP CCC[N@@H+](CCC[NH3+])Cc1c(F)cccc1Cl ZINC000414680182 283224990 /nfs/dbraw/zinc/22/49/90/283224990.db2.gz SUUWCYIHTMIHQI-UHFFFAOYSA-N 2 2 258.768 3.040 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1F)C1CC1 ZINC000124735158 138377704 /nfs/dbraw/zinc/37/77/04/138377704.db2.gz HIGSMWXOEXANRY-HNNXBMFYSA-N 2 2 276.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1F)C1CC1 ZINC000124735158 138377705 /nfs/dbraw/zinc/37/77/05/138377705.db2.gz HIGSMWXOEXANRY-HNNXBMFYSA-N 2 2 276.399 3.274 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000124735158 138377706 /nfs/dbraw/zinc/37/77/06/138377706.db2.gz HIGSMWXOEXANRY-HNNXBMFYSA-N 2 2 276.399 3.274 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000124735158 138377707 /nfs/dbraw/zinc/37/77/07/138377707.db2.gz HIGSMWXOEXANRY-HNNXBMFYSA-N 2 2 276.399 3.274 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cnn1C(C)C ZINC000423238771 236005162 /nfs/dbraw/zinc/00/51/62/236005162.db2.gz JHOOIIHNVJXETE-DYVFJYSZSA-N 2 2 286.423 3.123 20 0 CGADLP Clc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423241662 236006722 /nfs/dbraw/zinc/00/67/22/236006722.db2.gz VCCPDZNFXCKIKP-GJZGRUSLSA-N 2 2 264.800 3.133 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423245561 236007253 /nfs/dbraw/zinc/00/72/53/236007253.db2.gz YQDUKJCILZZACU-WCQYABFASA-N 2 2 260.406 3.304 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423247837 236008087 /nfs/dbraw/zinc/00/80/87/236008087.db2.gz LRZMITWEQZAZQY-KBXCAEBGSA-N 2 2 298.434 3.349 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc2cc1C ZINC000423279601 236020480 /nfs/dbraw/zinc/02/04/80/236020480.db2.gz RPXBQGKFZMWZSH-DOMZBBRYSA-N 2 2 272.392 3.438 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000423336994 236043216 /nfs/dbraw/zinc/04/32/16/236043216.db2.gz VDJIGKOZUHPWKL-CABCVRRESA-N 2 2 284.403 3.263 20 0 CGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000423410935 236067389 /nfs/dbraw/zinc/06/73/89/236067389.db2.gz ASWLIOYEYSRFPL-KXBFYZLASA-N 2 2 298.430 3.259 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])oc2cc1C ZINC000423450422 236074254 /nfs/dbraw/zinc/07/42/54/236074254.db2.gz SWKOLHWLGOBZPJ-AVGNSLFASA-N 2 2 260.381 3.436 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423462607 236076884 /nfs/dbraw/zinc/07/68/84/236076884.db2.gz KVNKXUIZRHAUBU-DCAQKATOSA-N 2 2 293.411 3.336 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccs1 ZINC000423507370 236089721 /nfs/dbraw/zinc/08/97/21/236089721.db2.gz ILXJIFFVIYTSMH-AEGPPILISA-N 2 2 272.417 3.154 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423522418 236092894 /nfs/dbraw/zinc/09/28/94/236092894.db2.gz HHZRHXZMDLGDRX-IHXKFAGKSA-N 2 2 299.462 3.194 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc(C)c1F ZINC000423571776 236100069 /nfs/dbraw/zinc/10/00/69/236100069.db2.gz XUQLUPJXXAAMCD-UKRRQHHQSA-N 2 2 264.388 3.235 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])co2)cc1 ZINC000424338216 236153723 /nfs/dbraw/zinc/15/37/23/236153723.db2.gz UFZMZAMEKGTRBK-HZPDHXFCSA-N 2 2 285.391 3.010 20 0 CGADLP Cc1cc[nH+]c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425281199 236227037 /nfs/dbraw/zinc/22/70/37/236227037.db2.gz ZFGMHSUNCYDYRT-ZWKOTPCHSA-N 2 2 293.414 3.101 20 0 CGADLP Cc1cc[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425281199 236227039 /nfs/dbraw/zinc/22/70/39/236227039.db2.gz ZFGMHSUNCYDYRT-ZWKOTPCHSA-N 2 2 293.414 3.101 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000353970682 283342803 /nfs/dbraw/zinc/34/28/03/283342803.db2.gz GEUONIGYQRIHDU-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000353970682 283342808 /nfs/dbraw/zinc/34/28/08/283342808.db2.gz GEUONIGYQRIHDU-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000294894553 199236013 /nfs/dbraw/zinc/23/60/13/199236013.db2.gz YPFUWDBTTDKDKI-WFASDCNBSA-N 2 2 289.448 3.076 20 0 CGADLP COc1ccc(F)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000294928357 199254708 /nfs/dbraw/zinc/25/47/08/199254708.db2.gz ONWOTKMBKPDLPT-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(F)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000294928357 199254709 /nfs/dbraw/zinc/25/47/09/199254709.db2.gz ONWOTKMBKPDLPT-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCO1 ZINC000314876864 299282374 /nfs/dbraw/zinc/28/23/74/299282374.db2.gz GNHGPLYDNLHGMF-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423308974 283390637 /nfs/dbraw/zinc/39/06/37/283390637.db2.gz KLGWJKNSLOVCEM-AWEZNQCLSA-N 2 2 264.413 3.124 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281645 237069932 /nfs/dbraw/zinc/06/99/32/237069932.db2.gz HJQREJFBGZBOMR-OWIUFQIYSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281645 237069940 /nfs/dbraw/zinc/06/99/40/237069940.db2.gz HJQREJFBGZBOMR-OWIUFQIYSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CCSCC1 ZINC000354354211 299298758 /nfs/dbraw/zinc/29/87/58/299298758.db2.gz XQUVHLGRAZFTJG-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP Cc1cc(NC2CC[NH+](C3CC3)CC2)ccc1[NH+](C)C ZINC000297579835 200232588 /nfs/dbraw/zinc/23/25/88/200232588.db2.gz DLHFCSVKALFOSJ-UHFFFAOYSA-N 2 2 273.424 3.100 20 0 CGADLP C[C@@H](C1CC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000298122346 200338643 /nfs/dbraw/zinc/33/86/43/200338643.db2.gz COYGAQALKLORLW-ZDUSSCGKSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000298122346 200338644 /nfs/dbraw/zinc/33/86/44/200338644.db2.gz COYGAQALKLORLW-ZDUSSCGKSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304942 200388701 /nfs/dbraw/zinc/38/87/01/200388701.db2.gz HTACINZPGWBYJY-AWEZNQCLSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298304942 200388702 /nfs/dbraw/zinc/38/87/02/200388702.db2.gz HTACINZPGWBYJY-AWEZNQCLSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388124 189047310 /nfs/dbraw/zinc/04/73/10/189047310.db2.gz SVWHIJSPEKCDEY-CHWSQXEVSA-N 2 2 255.365 3.321 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1 ZINC000341980712 216178100 /nfs/dbraw/zinc/17/81/00/216178100.db2.gz QZKPXNHHCMEVPO-HOCLYGCPSA-N 2 2 278.465 3.083 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000179736835 189216987 /nfs/dbraw/zinc/21/69/87/189216987.db2.gz KHGRTUXHAYOYKH-OAHLLOKOSA-N 2 2 273.380 3.023 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](F)C2)n1-c1ccccc1 ZINC000342270150 216284858 /nfs/dbraw/zinc/28/48/58/216284858.db2.gz AIPARNXOGFWCOW-KGLIPLIRSA-N 2 2 273.355 3.161 20 0 CGADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181093093 189288419 /nfs/dbraw/zinc/28/84/19/189288419.db2.gz ZGWRDNCSRHWDGI-OAHLLOKOSA-N 2 2 257.381 3.009 20 0 CGADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181093093 189288420 /nfs/dbraw/zinc/28/84/20/189288420.db2.gz ZGWRDNCSRHWDGI-OAHLLOKOSA-N 2 2 257.381 3.009 20 0 CGADLP c1cn(C2CC[NH+](CCCOCc3ccccc3)CC2)c[nH+]1 ZINC000182449219 189323738 /nfs/dbraw/zinc/32/37/38/189323738.db2.gz SCSVUYGICYZFPJ-UHFFFAOYSA-N 2 2 299.418 3.127 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301596764 201088055 /nfs/dbraw/zinc/08/80/55/201088055.db2.gz ZNUMFJNZMNEERC-VXGBXAGGSA-N 2 2 287.329 3.385 20 0 CGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182836774 189336897 /nfs/dbraw/zinc/33/68/97/189336897.db2.gz HEYVLINWJGADLR-RDJZCZTQSA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182836774 189336898 /nfs/dbraw/zinc/33/68/98/189336898.db2.gz HEYVLINWJGADLR-RDJZCZTQSA-N 2 2 269.392 3.151 20 0 CGADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301725310 201162102 /nfs/dbraw/zinc/16/21/02/201162102.db2.gz PNHSUNACLZOLEK-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000301725310 201162105 /nfs/dbraw/zinc/16/21/05/201162105.db2.gz PNHSUNACLZOLEK-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(F)cc1 ZINC000342413233 216344633 /nfs/dbraw/zinc/34/46/33/216344633.db2.gz AWYRNTGXYXBXDG-OAHLLOKOSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(F)cc1 ZINC000342413233 216344636 /nfs/dbraw/zinc/34/46/36/216344636.db2.gz AWYRNTGXYXBXDG-OAHLLOKOSA-N 2 2 286.394 3.436 20 0 CGADLP CN(CC[NH+](C)C)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000301777784 201189408 /nfs/dbraw/zinc/18/94/08/201189408.db2.gz RNSBKJPSFUWPIQ-UHFFFAOYSA-N 2 2 292.471 3.069 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000449073016 239158480 /nfs/dbraw/zinc/15/84/80/239158480.db2.gz LZOIMMWNVZAINQ-OAHLLOKOSA-N 2 2 295.386 3.245 20 0 CGADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000449073570 239158599 /nfs/dbraw/zinc/15/85/99/239158599.db2.gz JITHRUCMMYQIFD-CQSZACIVSA-N 2 2 295.386 3.223 20 0 CGADLP Cc1ccc(CNc2cc(C)[nH+]c(C)n2)c(N2CCCC2)[nH+]1 ZINC000302071848 201330812 /nfs/dbraw/zinc/33/08/12/201330812.db2.gz YYUCSQYAMVRIBK-UHFFFAOYSA-N 2 2 297.406 3.009 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103660 239181747 /nfs/dbraw/zinc/18/17/47/239181747.db2.gz RLGDQVPJEQXBPS-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103660 239181751 /nfs/dbraw/zinc/18/17/51/239181751.db2.gz RLGDQVPJEQXBPS-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000449250779 239270828 /nfs/dbraw/zinc/27/08/28/239270828.db2.gz PUVOXMAUEMGJLT-RKVPGOIHSA-N 2 2 286.419 3.492 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000342615217 216433571 /nfs/dbraw/zinc/43/35/71/216433571.db2.gz LNQBYUZFADTSMO-INIZCTEOSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)s1 ZINC000335684609 212405578 /nfs/dbraw/zinc/40/55/78/212405578.db2.gz VSWHEYLKCMLAIB-ZJUUUORDSA-N 2 2 281.812 3.264 20 0 CGADLP Cc1nc(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc[nH+]1 ZINC000450880768 240131402 /nfs/dbraw/zinc/13/14/02/240131402.db2.gz QDBNMTLVASWNIA-UHFFFAOYSA-N 2 2 290.455 3.122 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275574703 193077531 /nfs/dbraw/zinc/07/75/31/193077531.db2.gz OPUWFYDCGGSISK-UXLLHSPISA-N 2 2 291.439 3.365 20 0 CGADLP c1nc(C2CCCC2)sc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335560648 212267419 /nfs/dbraw/zinc/26/74/19/212267419.db2.gz KBBNIVNSIIBYCG-UHFFFAOYSA-N 2 2 291.464 3.129 20 0 CGADLP FC(F)(F)c1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335560671 212266657 /nfs/dbraw/zinc/26/66/57/212266657.db2.gz KYQUPBAQSCMSDK-UHFFFAOYSA-N 2 2 284.325 3.033 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459286837 242053533 /nfs/dbraw/zinc/05/35/33/242053533.db2.gz YEIZOTZYXUCZEQ-CYBMUJFWSA-N 2 2 283.375 3.402 20 0 CGADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459286837 242053536 /nfs/dbraw/zinc/05/35/36/242053536.db2.gz YEIZOTZYXUCZEQ-CYBMUJFWSA-N 2 2 283.375 3.402 20 0 CGADLP CCc1ccc(C2=CC[N@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000459480780 242122327 /nfs/dbraw/zinc/12/23/27/242122327.db2.gz WLXUECLQGMAPEV-UHFFFAOYSA-N 2 2 295.430 3.314 20 0 CGADLP CCc1ccc(C2=CC[N@@H+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000459480780 242122334 /nfs/dbraw/zinc/12/23/34/242122334.db2.gz WLXUECLQGMAPEV-UHFFFAOYSA-N 2 2 295.430 3.314 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000459658007 242165561 /nfs/dbraw/zinc/16/55/61/242165561.db2.gz IOFXTHXTFZWQMY-SJLPKXTDSA-N 2 2 283.419 3.063 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459669964 242170250 /nfs/dbraw/zinc/17/02/50/242170250.db2.gz VECDDTLMTANYNP-HOCLYGCPSA-N 2 2 263.429 3.157 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000459672730 242173893 /nfs/dbraw/zinc/17/38/93/242173893.db2.gz YCJIPLDFCIDNAJ-IAGOWNOFSA-N 2 2 287.382 3.028 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816616 242365888 /nfs/dbraw/zinc/36/58/88/242365888.db2.gz MNIXJUIDYXUOEC-XJKSGUPXSA-N 2 2 280.843 3.121 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(Cl)c(C)c2)C1 ZINC000462816616 242365890 /nfs/dbraw/zinc/36/58/90/242365890.db2.gz MNIXJUIDYXUOEC-XJKSGUPXSA-N 2 2 280.843 3.121 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000469780480 242700331 /nfs/dbraw/zinc/70/03/31/242700331.db2.gz OYNVCEAJXUOXNO-OAHLLOKOSA-N 2 2 286.463 3.254 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000479441579 243103083 /nfs/dbraw/zinc/10/30/83/243103083.db2.gz UUHXOXMZGMUYSH-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000479441579 243103087 /nfs/dbraw/zinc/10/30/87/243103087.db2.gz UUHXOXMZGMUYSH-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000479449768 243105276 /nfs/dbraw/zinc/10/52/76/243105276.db2.gz HYAFWGXTYSVIDX-PBHICJAKSA-N 2 2 260.425 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000479449768 243105278 /nfs/dbraw/zinc/10/52/78/243105278.db2.gz HYAFWGXTYSVIDX-PBHICJAKSA-N 2 2 260.425 3.211 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000479857628 243127745 /nfs/dbraw/zinc/12/77/45/243127745.db2.gz DRWYYACKTYJPPS-MRXNPFEDSA-N 2 2 280.431 3.323 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)C1CC1)[NH+](C)C ZINC000483331180 243277317 /nfs/dbraw/zinc/27/73/17/243277317.db2.gz PHQYNZMHMORLRB-VBQJREDUSA-N 2 2 260.425 3.374 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c1C ZINC000484469073 243312622 /nfs/dbraw/zinc/31/26/22/243312622.db2.gz CRNQBOUJFRNJFX-WBVHZDCISA-N 2 2 292.492 3.391 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000484490690 243315745 /nfs/dbraw/zinc/31/57/45/243315745.db2.gz KZHFAHLYUFTLSL-SOUVJXGZSA-N 2 2 272.502 3.228 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125210627 370932435 /nfs/dbraw/zinc/93/24/35/370932435.db2.gz AZZGFLNPFNHDTJ-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000125210627 370932438 /nfs/dbraw/zinc/93/24/38/370932438.db2.gz AZZGFLNPFNHDTJ-ZIAGYGMSSA-N 2 2 282.790 3.196 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000022936491 368814361 /nfs/dbraw/zinc/81/43/61/368814361.db2.gz PLHSUNMWAICNME-ZDUSSCGKSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000022936491 368814368 /nfs/dbraw/zinc/81/43/68/368814368.db2.gz PLHSUNMWAICNME-ZDUSSCGKSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019960287 368790641 /nfs/dbraw/zinc/79/06/41/368790641.db2.gz FTUJFZDFQJRZQI-STQMWFEESA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019960287 368790645 /nfs/dbraw/zinc/79/06/45/368790645.db2.gz FTUJFZDFQJRZQI-STQMWFEESA-N 2 2 298.377 3.423 20 0 CGADLP C[C@H]([NH2+]Cc1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084139 368798320 /nfs/dbraw/zinc/79/83/20/368798320.db2.gz IAESVZQUERPJEP-ZDUSSCGKSA-N 2 2 267.332 3.316 20 0 CGADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](C(C)C)CC1 ZINC000036934741 369039658 /nfs/dbraw/zinc/03/96/58/369039658.db2.gz NINLRPXXMMVHOT-UHFFFAOYSA-N 2 2 275.440 3.346 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000037140941 369068188 /nfs/dbraw/zinc/06/81/88/369068188.db2.gz OMUCTHGXIFPEHX-NSHDSACASA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000037157482 369072918 /nfs/dbraw/zinc/07/29/18/369072918.db2.gz XLXVKBTWDNUYOB-OLZOCXBDSA-N 2 2 269.348 3.369 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000037157374 369073004 /nfs/dbraw/zinc/07/30/04/369073004.db2.gz IZHCNERLCJLYDM-XJKSGUPXSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000037158201 369074238 /nfs/dbraw/zinc/07/42/38/369074238.db2.gz JXPLSTHNOSPTJS-HSBZDZAISA-N 2 2 289.810 3.461 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@H](C)Cn3cc[nH+]c3)C2)cc1 ZINC000037158227 369074700 /nfs/dbraw/zinc/07/47/00/369074700.db2.gz PYNCVOWGBJIRCK-ODIFPOPNSA-N 2 2 269.392 3.116 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000044683854 369265074 /nfs/dbraw/zinc/26/50/74/369265074.db2.gz KDKSTQMLJJBUNP-LLVKDONJSA-N 2 2 285.218 3.320 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000044683854 369265081 /nfs/dbraw/zinc/26/50/81/369265081.db2.gz KDKSTQMLJJBUNP-LLVKDONJSA-N 2 2 285.218 3.320 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494393790 244285123 /nfs/dbraw/zinc/28/51/23/244285123.db2.gz SVPODKRMJVZKGC-ILXRZTDVSA-N 2 2 261.413 3.004 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000494439832 244289969 /nfs/dbraw/zinc/28/99/69/244289969.db2.gz VTCTYHGXUYYPDK-DLBZAZTESA-N 2 2 283.419 3.371 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663221 369283812 /nfs/dbraw/zinc/28/38/12/369283812.db2.gz QRNCZBTUOJYENX-OAHLLOKOSA-N 2 2 278.440 3.468 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1Br ZINC000045663394 369283944 /nfs/dbraw/zinc/28/39/44/369283944.db2.gz KMJXCNXOXSOUAY-GFCCVEGCSA-N 2 2 299.256 3.442 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663143 369284033 /nfs/dbraw/zinc/28/40/33/369284033.db2.gz HADBIQJIBHCHPZ-AWEZNQCLSA-N 2 2 264.413 3.078 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000494931989 244333645 /nfs/dbraw/zinc/33/36/45/244333645.db2.gz RPDCNMXAFNKKDU-JMSVASOKSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000495050275 244349078 /nfs/dbraw/zinc/34/90/78/244349078.db2.gz MDYBOYFBZBAREQ-XHHISWJOSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000495050275 244349081 /nfs/dbraw/zinc/34/90/81/244349081.db2.gz MDYBOYFBZBAREQ-XHHISWJOSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000050340743 369435667 /nfs/dbraw/zinc/43/56/67/369435667.db2.gz RMUIODHDFJMICK-CYBMUJFWSA-N 2 2 287.432 3.463 20 0 CGADLP CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192023 369643244 /nfs/dbraw/zinc/64/32/44/369643244.db2.gz FIVWOAOHCUINFH-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063192023 369643246 /nfs/dbraw/zinc/64/32/46/369643246.db2.gz FIVWOAOHCUINFH-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718496 296148920 /nfs/dbraw/zinc/14/89/20/296148920.db2.gz NVJYLIALBJWBFO-SUNKGSAMSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1C ZINC000067941801 369736843 /nfs/dbraw/zinc/73/68/43/369736843.db2.gz DIYPRWQKZZYHIF-UHFFFAOYSA-N 2 2 295.430 3.457 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cnc2ccsc2c1 ZINC000085433206 370017323 /nfs/dbraw/zinc/01/73/23/370017323.db2.gz CRQXGEJNTYNIRX-LBPRGKRZSA-N 2 2 275.421 3.043 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000093604573 370146698 /nfs/dbraw/zinc/14/66/98/370146698.db2.gz HRYZTIZTKQLUGH-AWEZNQCLSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000093604573 370146701 /nfs/dbraw/zinc/14/67/01/370146701.db2.gz HRYZTIZTKQLUGH-AWEZNQCLSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093643791 370149511 /nfs/dbraw/zinc/14/95/11/370149511.db2.gz RZGRLIYNRWPKIW-OLZOCXBDSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000093643791 370149515 /nfs/dbraw/zinc/14/95/15/370149515.db2.gz RZGRLIYNRWPKIW-OLZOCXBDSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000093643791 370149518 /nfs/dbraw/zinc/14/95/18/370149518.db2.gz RZGRLIYNRWPKIW-OLZOCXBDSA-N 2 2 281.469 3.181 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000093643791 370149522 /nfs/dbraw/zinc/14/95/22/370149522.db2.gz RZGRLIYNRWPKIW-OLZOCXBDSA-N 2 2 281.469 3.181 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2cccc3ccccc32)CCC1 ZINC000097929149 370257566 /nfs/dbraw/zinc/25/75/66/370257566.db2.gz BJSXAIOFPHIHRM-UHFFFAOYSA-N 2 2 268.404 3.414 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3)C2)CCC1 ZINC000097929476 370258371 /nfs/dbraw/zinc/25/83/71/370258371.db2.gz NBDXFKTWXMVHRK-UHFFFAOYSA-N 2 2 258.409 3.007 20 0 CGADLP c1[nH]c(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000112342840 370421812 /nfs/dbraw/zinc/42/18/12/370421812.db2.gz DFRXIHDPRHRQTJ-CVEARBPZSA-N 2 2 255.365 3.226 20 0 CGADLP c1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000112342842 370422145 /nfs/dbraw/zinc/42/21/45/370422145.db2.gz DFRXIHDPRHRQTJ-JKSUJKDBSA-N 2 2 255.365 3.226 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2F)c2ccccc21 ZINC000131901334 371139394 /nfs/dbraw/zinc/13/93/94/371139394.db2.gz PSKUTSRDQWLSRM-JKSUJKDBSA-N 2 2 256.324 3.060 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236640 371160297 /nfs/dbraw/zinc/16/02/97/371160297.db2.gz LJMJFRWZUONTDN-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000132236640 371160302 /nfs/dbraw/zinc/16/03/02/371160302.db2.gz LJMJFRWZUONTDN-KOLCDFICSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000133124286 371228620 /nfs/dbraw/zinc/22/86/20/371228620.db2.gz QNYXDJCHIIOOSY-MGPQQGTHSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000133124286 371228624 /nfs/dbraw/zinc/22/86/24/371228624.db2.gz QNYXDJCHIIOOSY-MGPQQGTHSA-N 2 2 250.430 3.170 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000135296745 371411594 /nfs/dbraw/zinc/41/15/94/371411594.db2.gz KWILTGZEAWWPKI-GFCCVEGCSA-N 2 2 277.437 3.102 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000135296745 371411600 /nfs/dbraw/zinc/41/16/00/371411600.db2.gz KWILTGZEAWWPKI-GFCCVEGCSA-N 2 2 277.437 3.102 20 0 CGADLP Cc1ccccc1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084540 371460107 /nfs/dbraw/zinc/46/01/07/371460107.db2.gz PKOVAEROIDUEOJ-DOTOQJQBSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136084540 371460109 /nfs/dbraw/zinc/46/01/09/371460109.db2.gz PKOVAEROIDUEOJ-DOTOQJQBSA-N 2 2 299.418 3.153 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842348 371542834 /nfs/dbraw/zinc/54/28/34/371542834.db2.gz UDOYBTOHOWLSMU-OAHLLOKOSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150842348 371542844 /nfs/dbraw/zinc/54/28/44/371542844.db2.gz UDOYBTOHOWLSMU-OAHLLOKOSA-N 2 2 278.827 3.258 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151120277 371571815 /nfs/dbraw/zinc/57/18/15/371571815.db2.gz XSCXRVNRJMUUFP-MRXNPFEDSA-N 2 2 285.391 3.085 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663792 371621300 /nfs/dbraw/zinc/62/13/00/371621300.db2.gz ISQWOCZAIZITSW-YQQAZPJKSA-N 3 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151663792 371621307 /nfs/dbraw/zinc/62/13/07/371621307.db2.gz ISQWOCZAIZITSW-YQQAZPJKSA-N 3 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccncc1Cl ZINC000421836446 371660028 /nfs/dbraw/zinc/66/00/28/371660028.db2.gz QYEBIHJJJXWBCJ-LBPRGKRZSA-N 2 2 290.798 3.283 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422563434 371752895 /nfs/dbraw/zinc/75/28/95/371752895.db2.gz SWANIMXWWGAKPQ-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000422563434 371752902 /nfs/dbraw/zinc/75/29/02/371752902.db2.gz SWANIMXWWGAKPQ-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422721352 371767645 /nfs/dbraw/zinc/76/76/45/371767645.db2.gz VDNCQXKEZMJIRT-JSGCOSHPSA-N 2 2 264.438 3.200 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000337331993 214009845 /nfs/dbraw/zinc/00/98/45/214009845.db2.gz HVXCBBLBGPFNFX-INIZCTEOSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154534634 371853808 /nfs/dbraw/zinc/85/38/08/371853808.db2.gz BLKXFKZWDHYHSC-AAEUAGOBSA-N 2 2 281.469 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154534634 371853812 /nfs/dbraw/zinc/85/38/12/371853812.db2.gz BLKXFKZWDHYHSC-AAEUAGOBSA-N 2 2 281.469 3.320 20 0 CGADLP CCCCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422893333 371857331 /nfs/dbraw/zinc/85/73/31/371857331.db2.gz QBNIALLMSCFALB-WMLDXEAASA-N 2 2 276.424 3.096 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1nccc2ccccc21 ZINC000289981072 371869009 /nfs/dbraw/zinc/86/90/09/371869009.db2.gz XWQKHQIIQNKVRW-UONOGXRCSA-N 2 2 280.375 3.171 20 0 CGADLP CC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccncc1 ZINC000289977426 371869200 /nfs/dbraw/zinc/86/92/00/371869200.db2.gz ZNNYZUUXLPJRQQ-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccncc1 ZINC000289977426 371869207 /nfs/dbraw/zinc/86/92/07/371869207.db2.gz ZNNYZUUXLPJRQQ-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000289841196 371836128 /nfs/dbraw/zinc/83/61/28/371836128.db2.gz KFRQHASARBOGGT-GDBMZVCRSA-N 2 2 296.418 3.349 20 0 CGADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423058540 371939839 /nfs/dbraw/zinc/93/98/39/371939839.db2.gz JWZXCWWKTMMANT-DOTOQJQBSA-N 2 2 289.467 3.151 20 0 CGADLP c1ccc(CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422951339 371888310 /nfs/dbraw/zinc/88/83/10/371888310.db2.gz YDWGVAMDNRJECX-OALUTQOASA-N 2 2 280.415 3.312 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000422988939 371904375 /nfs/dbraw/zinc/90/43/75/371904375.db2.gz JXSRLCAZFDFRAC-AHIWAGSCSA-N 2 2 288.391 3.093 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000290134298 371913321 /nfs/dbraw/zinc/91/33/21/371913321.db2.gz VHTWSNQKXJPOQN-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290134298 371913323 /nfs/dbraw/zinc/91/33/23/371913323.db2.gz VHTWSNQKXJPOQN-QGZVFWFLSA-N 2 2 269.392 3.108 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000290166901 371919194 /nfs/dbraw/zinc/91/91/94/371919194.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000290166901 371919200 /nfs/dbraw/zinc/91/92/00/371919200.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166901 371919206 /nfs/dbraw/zinc/91/92/06/371919206.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC[NH+]1C ZINC000290166901 371919212 /nfs/dbraw/zinc/91/92/12/371919212.db2.gz YAYYDZYPIYUSQM-BCBDKAHJSA-N 2 2 294.389 3.393 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423029995 371924415 /nfs/dbraw/zinc/92/44/15/371924415.db2.gz AZWDUDSQJIVCPV-KOZAUXTDSA-N 2 2 296.842 3.146 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000423031755 371924824 /nfs/dbraw/zinc/92/48/24/371924824.db2.gz DKPNQUKIDFEFIZ-HUUCEWRRSA-N 2 2 294.826 3.025 20 0 CGADLP CC[C@@H](CSC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290202198 371933782 /nfs/dbraw/zinc/93/37/82/371933782.db2.gz DDIISTPFUDNUKO-AWEZNQCLSA-N 2 2 252.427 3.054 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423093954 371958032 /nfs/dbraw/zinc/95/80/32/371958032.db2.gz AUWNHLMQMDVSPZ-TYNCELHUSA-N 2 2 264.438 3.200 20 0 CGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423097525 371960177 /nfs/dbraw/zinc/96/01/77/371960177.db2.gz JEZHXYGRZKZQEZ-HOCLYGCPSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156085922 371960307 /nfs/dbraw/zinc/96/03/07/371960307.db2.gz KWLBIFDDLGNLOF-RISCZKNCSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156085922 371960314 /nfs/dbraw/zinc/96/03/14/371960314.db2.gz KWLBIFDDLGNLOF-RISCZKNCSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc2sccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423122908 371977042 /nfs/dbraw/zinc/97/70/42/371977042.db2.gz LNFDQEJQXNQNBS-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423134457 371984499 /nfs/dbraw/zinc/98/44/99/371984499.db2.gz RYGXCABFPUNLKR-BFHYXJOUSA-N 2 2 296.361 3.038 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1c[nH+]ccc1N ZINC000423133432 371984634 /nfs/dbraw/zinc/98/46/34/371984634.db2.gz KLCRZGNNQHRZLE-NSHDSACASA-N 2 2 291.345 3.457 20 0 CGADLP CCCNc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423077467 371950031 /nfs/dbraw/zinc/95/00/31/371950031.db2.gz TXYVYNBINYETOL-RHSMWYFYSA-N 2 2 275.440 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000290494284 372000920 /nfs/dbraw/zinc/00/09/20/372000920.db2.gz WFWLKQPEPKACPM-OAHLLOKOSA-N 2 2 276.424 3.258 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000423090524 371955467 /nfs/dbraw/zinc/95/54/67/371955467.db2.gz XWDJZRVFOQIGDG-LRDDRELGSA-N 2 2 288.366 3.173 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423089578 371956682 /nfs/dbraw/zinc/95/66/82/371956682.db2.gz VMWDDWRZRGYWTC-KGLIPLIRSA-N 2 2 288.769 3.368 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423187708 372014778 /nfs/dbraw/zinc/01/47/78/372014778.db2.gz PEQYTFVRSNMFDV-LBPRGKRZSA-N 2 2 287.432 3.213 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc2cc1C ZINC000423189648 372017296 /nfs/dbraw/zinc/01/72/96/372017296.db2.gz MZZQHVMWDMFJFY-UKRRQHHQSA-N 2 2 272.392 3.452 20 0 CGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H](C)c1cccnc1 ZINC000290579061 372020481 /nfs/dbraw/zinc/02/04/81/372020481.db2.gz UJVJXECQJVKMMV-AWEZNQCLSA-N 2 2 280.375 3.312 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H](C)c1cccnc1 ZINC000290579061 372020485 /nfs/dbraw/zinc/02/04/85/372020485.db2.gz UJVJXECQJVKMMV-AWEZNQCLSA-N 2 2 280.375 3.312 20 0 CGADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197555 372020905 /nfs/dbraw/zinc/02/09/05/372020905.db2.gz ZVSWWMNFAWJMRE-ZBFHGGJFSA-N 2 2 278.465 3.145 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423199199 372023138 /nfs/dbraw/zinc/02/31/38/372023138.db2.gz JNNIOIHTKSECOZ-ZETCQYMHSA-N 2 2 267.225 3.315 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000423201711 372026531 /nfs/dbraw/zinc/02/65/31/372026531.db2.gz JDJKXJFZJHJZKF-GWCFXTLKSA-N 2 2 273.207 3.396 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000290610976 372027799 /nfs/dbraw/zinc/02/77/99/372027799.db2.gz WNSDLKDNOAVNDM-KRWDZBQOSA-N 2 2 298.434 3.500 20 0 CGADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000290610976 372027802 /nfs/dbraw/zinc/02/78/02/372027802.db2.gz WNSDLKDNOAVNDM-KRWDZBQOSA-N 2 2 298.434 3.500 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423211199 372032717 /nfs/dbraw/zinc/03/27/17/372032717.db2.gz IGSYZUSYVHTPJX-GJZGRUSLSA-N 2 2 264.800 3.133 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000423369960 372055515 /nfs/dbraw/zinc/05/55/15/372055515.db2.gz CVZNFIRBKGDCHS-ZBFHGGJFSA-N 2 2 276.424 3.105 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423373067 372056733 /nfs/dbraw/zinc/05/67/33/372056733.db2.gz HBDWLNIDMDXAOQ-IUODEOHRSA-N 2 2 296.842 3.450 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Br ZINC000157112826 372007276 /nfs/dbraw/zinc/00/72/76/372007276.db2.gz YVYPTYBBZWVUFB-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Br ZINC000157112826 372007281 /nfs/dbraw/zinc/00/72/81/372007281.db2.gz YVYPTYBBZWVUFB-WCQYABFASA-N 2 2 297.240 3.069 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353352870 220041794 /nfs/dbraw/zinc/04/17/94/220041794.db2.gz XFIPAQVENWBRRU-KRWDZBQOSA-N 2 2 276.399 3.303 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353352870 220041797 /nfs/dbraw/zinc/04/17/97/220041797.db2.gz XFIPAQVENWBRRU-KRWDZBQOSA-N 2 2 276.399 3.303 20 0 CGADLP [NH3+]CC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423180174 372009578 /nfs/dbraw/zinc/00/95/78/372009578.db2.gz IINZAVZAJODOAK-CYBMUJFWSA-N 2 2 280.824 3.234 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)[C@H]3CCOC3)cc2)c1C ZINC000291175743 372132132 /nfs/dbraw/zinc/13/21/32/372132132.db2.gz FDZSTOAHPRNWIX-HIFRSBDPSA-N 2 2 285.391 3.326 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672033 541868736 /nfs/dbraw/zinc/86/87/36/541868736.db2.gz AVVCYSUSGOPNKR-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672033 541868741 /nfs/dbraw/zinc/86/87/41/541868741.db2.gz AVVCYSUSGOPNKR-GJZGRUSLSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159324056 372131183 /nfs/dbraw/zinc/13/11/83/372131183.db2.gz PHHYKFIMKVNLRB-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000159324056 372131188 /nfs/dbraw/zinc/13/11/88/372131188.db2.gz PHHYKFIMKVNLRB-ZANVPECISA-N 2 2 290.304 3.014 20 0 CGADLP CCC(CC)(C[NH2+]CCCc1c[nH+]ccc1C)OC ZINC000292779298 372207312 /nfs/dbraw/zinc/20/73/12/372207312.db2.gz LDQCZURPTQLSHS-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672494 541869628 /nfs/dbraw/zinc/86/96/28/541869628.db2.gz RXOARILMVBBYTP-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672494 541869631 /nfs/dbraw/zinc/86/96/31/541869631.db2.gz RXOARILMVBBYTP-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP COC1(CC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCC1 ZINC000292881340 372236693 /nfs/dbraw/zinc/23/66/93/372236693.db2.gz DZPFLSKANQQZRR-UHFFFAOYSA-N 2 2 299.418 3.230 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672634 541870512 /nfs/dbraw/zinc/87/05/12/541870512.db2.gz ILLJETHZGOVKSD-RHSMWYFYSA-N 2 2 272.436 3.483 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672634 541870518 /nfs/dbraw/zinc/87/05/18/541870518.db2.gz ILLJETHZGOVKSD-RHSMWYFYSA-N 2 2 272.436 3.483 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000161348828 372318421 /nfs/dbraw/zinc/31/84/21/372318421.db2.gz WJXSFKBZGWNVLW-UHFFFAOYSA-N 2 2 261.196 3.083 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344320657 217148358 /nfs/dbraw/zinc/14/83/58/217148358.db2.gz DMTACEGPDIQGCY-YOEHRIQHSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344320657 217148361 /nfs/dbraw/zinc/14/83/61/217148361.db2.gz DMTACEGPDIQGCY-YOEHRIQHSA-N 2 2 276.424 3.046 20 0 CGADLP Cc1ccoc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000429375651 372358119 /nfs/dbraw/zinc/35/81/19/372358119.db2.gz ZMONBKFOXROEND-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP Cc1ccoc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000429375651 372358126 /nfs/dbraw/zinc/35/81/26/372358126.db2.gz ZMONBKFOXROEND-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000163421891 372468601 /nfs/dbraw/zinc/46/86/01/372468601.db2.gz XILSZYFKFHGWIG-CZUORRHYSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000163421891 372468606 /nfs/dbraw/zinc/46/86/06/372468606.db2.gz XILSZYFKFHGWIG-CZUORRHYSA-N 2 2 296.842 3.101 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000293823892 372492571 /nfs/dbraw/zinc/49/25/71/372492571.db2.gz PEVUICOEEIDWJO-UHFFFAOYSA-N 2 2 286.423 3.232 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293823892 372492583 /nfs/dbraw/zinc/49/25/83/372492583.db2.gz PEVUICOEEIDWJO-UHFFFAOYSA-N 2 2 286.423 3.232 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293880318 372510833 /nfs/dbraw/zinc/51/08/33/372510833.db2.gz DBQZLKWLGRLSSS-SFHVURJKSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293880318 372510837 /nfs/dbraw/zinc/51/08/37/372510837.db2.gz DBQZLKWLGRLSSS-SFHVURJKSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288231 372570361 /nfs/dbraw/zinc/57/03/61/372570361.db2.gz SPEVDSDPPQGTSL-PGUXBMHVSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000166288231 372570366 /nfs/dbraw/zinc/57/03/66/372570366.db2.gz SPEVDSDPPQGTSL-PGUXBMHVSA-N 2 2 280.362 3.241 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000294135668 372591531 /nfs/dbraw/zinc/59/15/31/372591531.db2.gz URZVZUUCUMPGBL-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000294135668 372591536 /nfs/dbraw/zinc/59/15/36/372591536.db2.gz URZVZUUCUMPGBL-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643249 372646581 /nfs/dbraw/zinc/64/65/81/372646581.db2.gz CHEWTKVSQFQRGS-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643249 372646584 /nfs/dbraw/zinc/64/65/84/372646584.db2.gz CHEWTKVSQFQRGS-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434991109 372724998 /nfs/dbraw/zinc/72/49/98/372724998.db2.gz LBPOIZZUASZRSP-WMLDXEAASA-N 2 2 291.439 3.184 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccncc2C)[NH+](C)C)cc1 ZINC000295212300 372704117 /nfs/dbraw/zinc/70/41/17/372704117.db2.gz QDGKIWCVDRRPQG-GOSISDBHSA-N 2 2 283.419 3.091 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434791459 372710979 /nfs/dbraw/zinc/71/09/79/372710979.db2.gz CXOARUIHVWSPDW-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434791459 372710985 /nfs/dbraw/zinc/71/09/85/372710985.db2.gz CXOARUIHVWSPDW-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000344553338 217229613 /nfs/dbraw/zinc/22/96/13/217229613.db2.gz LUWBUBWVRKEOFD-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344553338 217229615 /nfs/dbraw/zinc/22/96/15/217229615.db2.gz LUWBUBWVRKEOFD-WMLDXEAASA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172014084 372882879 /nfs/dbraw/zinc/88/28/79/372882879.db2.gz ICZXGUVYHIUMQR-FUHWJXTLSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000172014084 372882883 /nfs/dbraw/zinc/88/28/83/372882883.db2.gz ICZXGUVYHIUMQR-FUHWJXTLSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000438185855 372908199 /nfs/dbraw/zinc/90/81/99/372908199.db2.gz FKNCDXCYHJIMKQ-LMMKCTJWSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000438185855 372908207 /nfs/dbraw/zinc/90/82/07/372908207.db2.gz FKNCDXCYHJIMKQ-LMMKCTJWSA-N 2 2 284.447 3.323 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000353501076 220119859 /nfs/dbraw/zinc/11/98/59/220119859.db2.gz HSYZQPUAQXHSQM-IAGOWNOFSA-N 2 2 278.415 3.236 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000353501076 220119862 /nfs/dbraw/zinc/11/98/62/220119862.db2.gz HSYZQPUAQXHSQM-IAGOWNOFSA-N 2 2 278.415 3.236 20 0 CGADLP C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000296026185 372998263 /nfs/dbraw/zinc/99/82/63/372998263.db2.gz MWSIUCRWTTWBJA-INIZCTEOSA-N 2 2 273.355 3.196 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000539039758 288599434 /nfs/dbraw/zinc/59/94/34/288599434.db2.gz OXNHBMCVFRCSFO-HIFRSBDPSA-N 2 2 257.381 3.045 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCC(C)C)CC1 ZINC000344781116 217308494 /nfs/dbraw/zinc/30/84/94/217308494.db2.gz ZNMJQLGUHGKOOG-OAHLLOKOSA-N 2 2 284.488 3.290 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780990 217308590 /nfs/dbraw/zinc/30/85/90/217308590.db2.gz ZSNKIHBLRWASCN-DZGCQCFKSA-N 2 2 278.465 3.147 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)cc2SC)C1 ZINC000344780990 217308592 /nfs/dbraw/zinc/30/85/92/217308592.db2.gz ZSNKIHBLRWASCN-DZGCQCFKSA-N 2 2 278.465 3.147 20 0 CGADLP CCCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544130 220149301 /nfs/dbraw/zinc/14/93/01/220149301.db2.gz ASUFWMOQUMUXGJ-UHFFFAOYSA-N 2 2 252.402 3.224 20 0 CGADLP CCCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544130 220149303 /nfs/dbraw/zinc/14/93/03/220149303.db2.gz ASUFWMOQUMUXGJ-UHFFFAOYSA-N 2 2 252.402 3.224 20 0 CGADLP CCCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544130 220149307 /nfs/dbraw/zinc/14/93/07/220149307.db2.gz ASUFWMOQUMUXGJ-UHFFFAOYSA-N 2 2 252.402 3.224 20 0 CGADLP CCCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544130 220149308 /nfs/dbraw/zinc/14/93/08/220149308.db2.gz ASUFWMOQUMUXGJ-UHFFFAOYSA-N 2 2 252.402 3.224 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@@H+]1C ZINC000172848259 373045463 /nfs/dbraw/zinc/04/54/63/373045463.db2.gz GOTIDURGPQBNLL-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@H+]1C ZINC000172848259 373045475 /nfs/dbraw/zinc/04/54/75/373045475.db2.gz GOTIDURGPQBNLL-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848259 373045484 /nfs/dbraw/zinc/04/54/84/373045484.db2.gz GOTIDURGPQBNLL-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848259 373045492 /nfs/dbraw/zinc/04/54/92/373045492.db2.gz GOTIDURGPQBNLL-QWHCGFSZSA-N 2 2 289.448 3.211 20 0 CGADLP CC/C=C\CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540550 220145774 /nfs/dbraw/zinc/14/57/74/220145774.db2.gz DFPYQOQCCUGVIW-WAYWQWQTSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C\CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353540550 220145777 /nfs/dbraw/zinc/14/57/77/220145777.db2.gz DFPYQOQCCUGVIW-WAYWQWQTSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C\CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353540550 220145779 /nfs/dbraw/zinc/14/57/79/220145779.db2.gz DFPYQOQCCUGVIW-WAYWQWQTSA-N 2 2 264.413 3.390 20 0 CGADLP CC/C=C\CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353540550 220145783 /nfs/dbraw/zinc/14/57/83/220145783.db2.gz DFPYQOQCCUGVIW-WAYWQWQTSA-N 2 2 264.413 3.390 20 0 CGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296355640 373101882 /nfs/dbraw/zinc/10/18/82/373101882.db2.gz IMWTWWMBAWXHPG-KBPBESRZSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000173527345 373153878 /nfs/dbraw/zinc/15/38/78/373153878.db2.gz YNLNIWRXOOTVKD-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527345 373153881 /nfs/dbraw/zinc/15/38/81/373153881.db2.gz YNLNIWRXOOTVKD-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527345 373153884 /nfs/dbraw/zinc/15/38/84/373153884.db2.gz YNLNIWRXOOTVKD-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527345 373153887 /nfs/dbraw/zinc/15/38/87/373153887.db2.gz YNLNIWRXOOTVKD-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP COCC[N@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444596171 373207209 /nfs/dbraw/zinc/20/72/09/373207209.db2.gz WOAWLRYGEFJSKG-UHFFFAOYSA-N 2 2 296.480 3.073 20 0 CGADLP COCC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccs1 ZINC000444596171 373207213 /nfs/dbraw/zinc/20/72/13/373207213.db2.gz WOAWLRYGEFJSKG-UHFFFAOYSA-N 2 2 296.480 3.073 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000174318301 373290267 /nfs/dbraw/zinc/29/02/67/373290267.db2.gz UDMCZUPKYMSBNB-ZNMIVQPWSA-N 2 2 263.429 3.324 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000447849903 373508970 /nfs/dbraw/zinc/50/89/70/373508970.db2.gz KGUNWPLHJZGWJW-UHFFFAOYSA-N 2 2 298.434 3.041 20 0 CGADLP C[C@@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)C[NH+]1CCCC1 ZINC000447935398 373524902 /nfs/dbraw/zinc/52/49/02/373524902.db2.gz GWSHWTMUOIDRAK-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)[NH+](C)C)cc1 ZINC000449063592 373658099 /nfs/dbraw/zinc/65/80/99/373658099.db2.gz NABDEWMLLWHMJN-DTDBQYNISA-N 2 2 290.451 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449448057 373729582 /nfs/dbraw/zinc/72/95/82/373729582.db2.gz DNKCTOZUMHPCQI-BVBHFADKSA-N 2 2 282.431 3.467 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449448057 373729591 /nfs/dbraw/zinc/72/95/91/373729591.db2.gz DNKCTOZUMHPCQI-BVBHFADKSA-N 2 2 282.431 3.467 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000178411480 373774598 /nfs/dbraw/zinc/77/45/98/373774598.db2.gz JECCCAQVARAORV-CQSZACIVSA-N 2 2 264.413 3.369 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000178957735 373820426 /nfs/dbraw/zinc/82/04/26/373820426.db2.gz QLICEJVKQJEVOY-CRAIPNDOSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000178957735 373820434 /nfs/dbraw/zinc/82/04/34/373820434.db2.gz QLICEJVKQJEVOY-CRAIPNDOSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000301648725 373793520 /nfs/dbraw/zinc/79/35/20/373793520.db2.gz OWJRPJPROMQZPF-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000301648725 373793527 /nfs/dbraw/zinc/79/35/27/373793527.db2.gz OWJRPJPROMQZPF-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000301652164 373794384 /nfs/dbraw/zinc/79/43/84/373794384.db2.gz QNMISFXNSIUOCR-UHFFFAOYSA-N 2 2 273.424 3.092 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2C2CCCC2)[nH+]1 ZINC000179830597 373922659 /nfs/dbraw/zinc/92/26/59/373922659.db2.gz JNFQSJVXGAEWOP-MRXNPFEDSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2C2CCCC2)[nH+]1 ZINC000179830597 373922668 /nfs/dbraw/zinc/92/26/68/373922668.db2.gz JNFQSJVXGAEWOP-MRXNPFEDSA-N 2 2 269.392 3.489 20 0 CGADLP Cc1cccc(NCc2ccccc2-n2cc[nH+]c2)[nH+]1 ZINC000302685601 373927942 /nfs/dbraw/zinc/92/79/42/373927942.db2.gz TUHWVCNFJRCAFT-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C12CCC2 ZINC000180749097 374040905 /nfs/dbraw/zinc/04/09/05/374040905.db2.gz CGWJSDXOJFALSU-CVEARBPZSA-N 2 2 299.418 3.114 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1sccc1Cl ZINC000304366288 374051074 /nfs/dbraw/zinc/05/10/74/374051074.db2.gz IQHMFBOPAUGSCY-LLVKDONJSA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1sccc1Cl ZINC000304366288 374051087 /nfs/dbraw/zinc/05/10/87/374051087.db2.gz IQHMFBOPAUGSCY-LLVKDONJSA-N 2 2 260.834 3.207 20 0 CGADLP c1ccc(NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)[nH+]c1 ZINC000450419972 374116391 /nfs/dbraw/zinc/11/63/91/374116391.db2.gz BGLODCWNFHAUGQ-MRXNPFEDSA-N 2 2 271.408 3.316 20 0 CGADLP c1ccc(NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)[nH+]c1 ZINC000450419972 374116397 /nfs/dbraw/zinc/11/63/97/374116397.db2.gz BGLODCWNFHAUGQ-MRXNPFEDSA-N 2 2 271.408 3.316 20 0 CGADLP Cc1ccc(C(C)(C)C[N@@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000289487769 197372812 /nfs/dbraw/zinc/37/28/12/197372812.db2.gz CFZBEQJRMWWOJZ-UHFFFAOYSA-N 2 2 285.435 3.181 20 0 CGADLP Cc1ccc(C(C)(C)C[N@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000289487769 197372813 /nfs/dbraw/zinc/37/28/13/197372813.db2.gz CFZBEQJRMWWOJZ-UHFFFAOYSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000309891462 374201543 /nfs/dbraw/zinc/20/15/43/374201543.db2.gz MLLKVWYPUPMVJE-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000309891462 374201548 /nfs/dbraw/zinc/20/15/48/374201548.db2.gz MLLKVWYPUPMVJE-HOCLYGCPSA-N 2 2 260.425 3.285 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284486 374391789 /nfs/dbraw/zinc/39/17/89/374391789.db2.gz KSFUQKNEKZJMAU-RFGFWPKPSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000453284486 374391795 /nfs/dbraw/zinc/39/17/95/374391795.db2.gz KSFUQKNEKZJMAU-RFGFWPKPSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(F)c1F ZINC000183227504 374389181 /nfs/dbraw/zinc/38/91/81/374389181.db2.gz UNMPDAOGKALQOE-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CSCCCCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000185166316 374600022 /nfs/dbraw/zinc/60/00/22/374600022.db2.gz CWFFJYSCRQASEZ-UHFFFAOYSA-N 2 2 277.437 3.266 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000334380716 374698889 /nfs/dbraw/zinc/69/88/89/374698889.db2.gz ISWKQDHJKIALCU-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000334380716 374698895 /nfs/dbraw/zinc/69/88/95/374698895.db2.gz ISWKQDHJKIALCU-OAHLLOKOSA-N 2 2 269.392 3.026 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCCC13CCCC3)C2 ZINC000334423541 374737164 /nfs/dbraw/zinc/73/71/64/374737164.db2.gz FSDYPUIJLANZBR-CJNGLKHVSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCCC13CCCC3)CC2 ZINC000334423541 374737169 /nfs/dbraw/zinc/73/71/69/374737169.db2.gz FSDYPUIJLANZBR-CJNGLKHVSA-N 2 2 273.424 3.360 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000334582246 374882894 /nfs/dbraw/zinc/88/28/94/374882894.db2.gz FTPNKFXSUOLOAH-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000334582246 374882897 /nfs/dbraw/zinc/88/28/97/374882897.db2.gz FTPNKFXSUOLOAH-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000334582246 374882900 /nfs/dbraw/zinc/88/29/00/374882900.db2.gz FTPNKFXSUOLOAH-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000334582246 374882902 /nfs/dbraw/zinc/88/29/02/374882902.db2.gz FTPNKFXSUOLOAH-UONOGXRCSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000186330146 374833771 /nfs/dbraw/zinc/83/37/71/374833771.db2.gz NIWZMCXZPBNGAW-STQMWFEESA-N 2 2 281.469 3.259 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000186330146 374833776 /nfs/dbraw/zinc/83/37/76/374833776.db2.gz NIWZMCXZPBNGAW-STQMWFEESA-N 2 2 281.469 3.259 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)C[N@@H+]1C1CC1 ZINC000463698257 374847575 /nfs/dbraw/zinc/84/75/75/374847575.db2.gz LMCBVCXFHJPRAH-GOEBONIOSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCCC2)C[N@H+]1C1CC1 ZINC000463698257 374847581 /nfs/dbraw/zinc/84/75/81/374847581.db2.gz LMCBVCXFHJPRAH-GOEBONIOSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359520 296224925 /nfs/dbraw/zinc/22/49/25/296224925.db2.gz FTOXQRVKIIXUHU-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359520 296224923 /nfs/dbraw/zinc/22/49/23/296224923.db2.gz FTOXQRVKIIXUHU-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000335144545 375171595 /nfs/dbraw/zinc/17/15/95/375171595.db2.gz OCRKDNNEFDIVPI-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000335144545 375171599 /nfs/dbraw/zinc/17/15/99/375171599.db2.gz OCRKDNNEFDIVPI-INIZCTEOSA-N 2 2 269.392 3.026 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000335147186 375173567 /nfs/dbraw/zinc/17/35/67/375173567.db2.gz JAQSPDNIBVSTKK-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000335147186 375173570 /nfs/dbraw/zinc/17/35/70/375173570.db2.gz JAQSPDNIBVSTKK-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000491033720 375323567 /nfs/dbraw/zinc/32/35/67/375323567.db2.gz FVHMSCLVPWATLI-DEYYWGMASA-N 2 2 272.436 3.382 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000491033720 375323577 /nfs/dbraw/zinc/32/35/77/375323577.db2.gz FVHMSCLVPWATLI-DEYYWGMASA-N 2 2 272.436 3.382 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335348397 375265452 /nfs/dbraw/zinc/26/54/52/375265452.db2.gz KMRUGBQMSWXHQI-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335348397 375265457 /nfs/dbraw/zinc/26/54/57/375265457.db2.gz KMRUGBQMSWXHQI-GOSISDBHSA-N 2 2 281.403 3.075 20 0 CGADLP CC[N@H+](CC[NH2+]CC1(CCOC)CCCCC1)C1CC1 ZINC000189119503 375329305 /nfs/dbraw/zinc/32/93/05/375329305.db2.gz MIIWPADOXHIDQW-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@@H+](CC[NH2+]CC1(CCOC)CCCCC1)C1CC1 ZINC000189119503 375329312 /nfs/dbraw/zinc/32/93/12/375329312.db2.gz MIIWPADOXHIDQW-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP Clc1sccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000335854208 375486561 /nfs/dbraw/zinc/48/65/61/375486561.db2.gz QUKGZNNOQVXYKF-UHFFFAOYSA-N 2 2 281.812 3.435 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]cc1Cl ZINC000192236175 375716339 /nfs/dbraw/zinc/71/63/39/375716339.db2.gz JFLHCYOORRLCNP-UHFFFAOYSA-N 2 2 292.814 3.411 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)[C@H](C[NH3+])C1 ZINC000261572721 572344738 /nfs/dbraw/zinc/34/47/38/572344738.db2.gz UNVWFMVJGIVSKK-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H](C[NH3+])C1 ZINC000261572721 572344743 /nfs/dbraw/zinc/34/47/43/572344743.db2.gz UNVWFMVJGIVSKK-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000336540657 375818379 /nfs/dbraw/zinc/81/83/79/375818379.db2.gz YIMOBLINGCJQMR-HNNXBMFYSA-N 2 2 287.382 3.294 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC000193311059 375857175 /nfs/dbraw/zinc/85/71/75/375857175.db2.gz IPYFWTYIIZHQMB-AGUYFDCRSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC000193311059 375857180 /nfs/dbraw/zinc/85/71/80/375857180.db2.gz IPYFWTYIIZHQMB-AGUYFDCRSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)sc1Cl ZINC000336652742 375895175 /nfs/dbraw/zinc/89/51/75/375895175.db2.gz IXENBUAHGCZKLU-MRVPVSSYSA-N 2 2 281.252 3.485 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(Cl)oc2ccccc21)C[NH+](C)C ZINC000336813107 375966990 /nfs/dbraw/zinc/96/69/90/375966990.db2.gz BQKLGRYCJHBQQT-NSHDSACASA-N 2 2 280.799 3.374 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(Br)c1 ZINC000336708245 375914464 /nfs/dbraw/zinc/91/44/64/375914464.db2.gz MCTFOEARPSYMQP-GFCCVEGCSA-N 2 2 299.256 3.045 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000336793729 375943090 /nfs/dbraw/zinc/94/30/90/375943090.db2.gz YCDWJKTUBRPDRY-HNNXBMFYSA-N 2 2 250.430 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC[N@@H+]1C ZINC000336854038 376013359 /nfs/dbraw/zinc/01/33/59/376013359.db2.gz LMMAYVOGDKYCEN-SUMDDJOVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)CC[N@H+]1C ZINC000336854038 376013363 /nfs/dbraw/zinc/01/33/63/376013363.db2.gz LMMAYVOGDKYCEN-SUMDDJOVSA-N 2 2 295.430 3.243 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000536585271 376100106 /nfs/dbraw/zinc/10/01/06/376100106.db2.gz JQBXXRQGPPZHHW-HNNXBMFYSA-N 2 2 272.396 3.189 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809061 376064862 /nfs/dbraw/zinc/06/48/62/376064862.db2.gz DMTWIMIUUPIMMW-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809061 376064868 /nfs/dbraw/zinc/06/48/68/376064868.db2.gz DMTWIMIUUPIMMW-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809061 376064873 /nfs/dbraw/zinc/06/48/73/376064873.db2.gz DMTWIMIUUPIMMW-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@@H]21 ZINC000535809061 376064883 /nfs/dbraw/zinc/06/48/83/376064883.db2.gz DMTWIMIUUPIMMW-LPHOPBHVSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068898 376077596 /nfs/dbraw/zinc/07/75/96/376077596.db2.gz OOVUXXGJXIUFSO-CHWSQXEVSA-N 2 2 273.355 3.110 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908064 376143240 /nfs/dbraw/zinc/14/32/40/376143240.db2.gz DEHRUVJYZCJOQO-JGGQBBKZSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Oc1cccc(Cl)c1 ZINC000536908064 376143247 /nfs/dbraw/zinc/14/32/47/376143247.db2.gz DEHRUVJYZCJOQO-JGGQBBKZSA-N 2 2 296.842 3.037 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000337241087 376158826 /nfs/dbraw/zinc/15/88/26/376158826.db2.gz FMVJPWYZKDFDFB-INMHGKMJSA-N 2 2 278.440 3.081 20 0 CGADLP CCc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000537626237 376185466 /nfs/dbraw/zinc/18/54/66/376185466.db2.gz KTAILMRPBWFZQC-UHFFFAOYSA-N 2 2 275.421 3.413 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234655 376186757 /nfs/dbraw/zinc/18/67/57/376186757.db2.gz UZAYTOKPPDIJMN-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234655 376186761 /nfs/dbraw/zinc/18/67/61/376186761.db2.gz UZAYTOKPPDIJMN-JQWIXIFHSA-N 2 2 270.779 3.224 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536690922 376123136 /nfs/dbraw/zinc/12/31/36/376123136.db2.gz GWPLVZIGACNIBL-VUBIOHBQSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536690922 376123141 /nfs/dbraw/zinc/12/31/41/376123141.db2.gz GWPLVZIGACNIBL-VUBIOHBQSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000338197670 376280382 /nfs/dbraw/zinc/28/03/82/376280382.db2.gz QQOILJHHKQEFFF-HNNXBMFYSA-N 2 2 282.378 3.272 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000338197670 376280389 /nfs/dbraw/zinc/28/03/89/376280389.db2.gz QQOILJHHKQEFFF-HNNXBMFYSA-N 2 2 282.378 3.272 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000222833062 376243109 /nfs/dbraw/zinc/24/31/09/376243109.db2.gz PIVWDBNZKXAQTN-NSHDSACASA-N 2 2 283.297 3.303 20 0 CGADLP CCC[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000337905499 376247542 /nfs/dbraw/zinc/24/75/42/376247542.db2.gz BKGIMLJSVHCSGF-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274843 376306619 /nfs/dbraw/zinc/30/66/19/376306619.db2.gz GHRYOGOXJRPRRV-UKRRQHHQSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000338274843 376306623 /nfs/dbraw/zinc/30/66/23/376306623.db2.gz GHRYOGOXJRPRRV-UKRRQHHQSA-N 2 2 296.361 3.360 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000539849401 376342304 /nfs/dbraw/zinc/34/23/04/376342304.db2.gz BWVNCWYXZKTERM-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000539849401 376342309 /nfs/dbraw/zinc/34/23/09/376342309.db2.gz BWVNCWYXZKTERM-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539849401 376342313 /nfs/dbraw/zinc/34/23/13/376342313.db2.gz BWVNCWYXZKTERM-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000539849401 376342319 /nfs/dbraw/zinc/34/23/19/376342319.db2.gz BWVNCWYXZKTERM-INIZCTEOSA-N 2 2 290.426 3.298 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000538969861 376283579 /nfs/dbraw/zinc/28/35/79/376283579.db2.gz AMUUXWLBDIGKMA-RDJZCZTQSA-N 2 2 260.425 3.459 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000224974058 376290421 /nfs/dbraw/zinc/29/04/21/376290421.db2.gz CSXRMLCEBKAJFO-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000224974058 376290426 /nfs/dbraw/zinc/29/04/26/376290426.db2.gz CSXRMLCEBKAJFO-GFCCVEGCSA-N 2 2 270.367 3.346 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000539075038 376291941 /nfs/dbraw/zinc/29/19/41/376291941.db2.gz QFUBUXNSQOLLJY-YJBOKZPZSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CC1 ZINC000539075038 376291948 /nfs/dbraw/zinc/29/19/48/376291948.db2.gz QFUBUXNSQOLLJY-YJBOKZPZSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC2(C)C)C1 ZINC000540184281 376363804 /nfs/dbraw/zinc/36/38/04/376363804.db2.gz YPFOLTGFAMFJCQ-DJIMGWMZSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC2(C)C)C1 ZINC000540184281 376363810 /nfs/dbraw/zinc/36/38/10/376363810.db2.gz YPFOLTGFAMFJCQ-DJIMGWMZSA-N 2 2 272.436 3.458 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1OC ZINC000540592257 376384685 /nfs/dbraw/zinc/38/46/85/376384685.db2.gz XVIJTDVHVFXDJP-DJIMGWMZSA-N 2 2 294.483 3.187 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1OC ZINC000540592257 376384690 /nfs/dbraw/zinc/38/46/90/376384690.db2.gz XVIJTDVHVFXDJP-DJIMGWMZSA-N 2 2 294.483 3.187 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccc(F)cc2F)CC1 ZINC000541773946 376479715 /nfs/dbraw/zinc/47/97/15/376479715.db2.gz POWNVJIIUIYMLY-PLNGDYQASA-N 2 2 294.389 3.394 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccc(F)cc2F)CC1 ZINC000541773946 376479724 /nfs/dbraw/zinc/47/97/24/376479724.db2.gz POWNVJIIUIYMLY-PLNGDYQASA-N 2 2 294.389 3.394 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000541588123 376461898 /nfs/dbraw/zinc/46/18/98/376461898.db2.gz QUGYWDNSCRHYFL-SJORKVTESA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338689097 376482081 /nfs/dbraw/zinc/48/20/81/376482081.db2.gz QRBQAXNZOSZPMB-CQSZACIVSA-N 2 2 264.457 3.277 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338689097 376482084 /nfs/dbraw/zinc/48/20/84/376482084.db2.gz QRBQAXNZOSZPMB-CQSZACIVSA-N 2 2 264.457 3.277 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702406 376570386 /nfs/dbraw/zinc/57/03/86/376570386.db2.gz VMFZZAAHGHXHDR-ISZGNANSSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702406 376570393 /nfs/dbraw/zinc/57/03/93/376570393.db2.gz VMFZZAAHGHXHDR-ISZGNANSSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702406 376570396 /nfs/dbraw/zinc/57/03/96/376570396.db2.gz VMFZZAAHGHXHDR-ISZGNANSSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000542702406 376570400 /nfs/dbraw/zinc/57/04/00/376570400.db2.gz VMFZZAAHGHXHDR-ISZGNANSSA-N 2 2 294.389 3.252 20 0 CGADLP CC(C)[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000232746446 376587333 /nfs/dbraw/zinc/58/73/33/376587333.db2.gz NAVCMEQTOCOYNT-KRWDZBQOSA-N 2 2 271.408 3.303 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000339001305 376620815 /nfs/dbraw/zinc/62/08/15/376620815.db2.gz RBIXEXZHQJOJSH-GOSISDBHSA-N 2 2 287.451 3.094 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000339001305 376620819 /nfs/dbraw/zinc/62/08/19/376620819.db2.gz RBIXEXZHQJOJSH-GOSISDBHSA-N 2 2 287.451 3.094 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@H]1CC=CCC1)Cc1ccccc1 ZINC000237155898 376732772 /nfs/dbraw/zinc/73/27/72/376732772.db2.gz KBNQEPWCMLUSAJ-ZWKOTPCHSA-N 2 2 272.436 3.105 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000339170158 376723603 /nfs/dbraw/zinc/72/36/03/376723603.db2.gz IQBWCBATEHDPIU-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1F ZINC000264658204 190126506 /nfs/dbraw/zinc/12/65/06/190126506.db2.gz YEYXSIFKJXFGSO-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545160329 376790068 /nfs/dbraw/zinc/79/00/68/376790068.db2.gz QSYSSBKQMCERTL-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545160329 376790075 /nfs/dbraw/zinc/79/00/75/376790075.db2.gz QSYSSBKQMCERTL-MRXNPFEDSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545160328 376790143 /nfs/dbraw/zinc/79/01/43/376790143.db2.gz QSYSSBKQMCERTL-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545160328 376790151 /nfs/dbraw/zinc/79/01/51/376790151.db2.gz QSYSSBKQMCERTL-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155857026 542125965 /nfs/dbraw/zinc/12/59/65/542125965.db2.gz YFZZDQNJFWRCAW-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155857026 542125968 /nfs/dbraw/zinc/12/59/68/542125968.db2.gz YFZZDQNJFWRCAW-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157465023 542134739 /nfs/dbraw/zinc/13/47/39/542134739.db2.gz NLJGNKHSOAUMQC-ULKVUYOBSA-N 2 2 271.364 3.087 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000157655017 542135923 /nfs/dbraw/zinc/13/59/23/542135923.db2.gz WCKOEWZVPCTLRE-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000157655017 542135926 /nfs/dbraw/zinc/13/59/26/542135926.db2.gz WCKOEWZVPCTLRE-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP Cc1cccn2c(C[NH2+]CC34CCC(CC3)C4)c[nH+]c12 ZINC000339790903 376847299 /nfs/dbraw/zinc/84/72/99/376847299.db2.gz BCJIRBOJRLYBGG-UHFFFAOYSA-N 2 2 269.392 3.313 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000556602509 376864183 /nfs/dbraw/zinc/86/41/83/376864183.db2.gz PDPDPBJJIACMEX-YOEHRIQHSA-N 2 2 278.440 3.322 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OC)c1 ZINC000556609314 376865675 /nfs/dbraw/zinc/86/56/75/376865675.db2.gz OQYMMEPTSKDVCT-KRWDZBQOSA-N 2 2 299.418 3.469 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)[NH+](C)C)cc1 ZINC000340210497 376951549 /nfs/dbraw/zinc/95/15/49/376951549.db2.gz RRKFWCCQKOJBDK-SZMVWBNQSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000558220876 376986501 /nfs/dbraw/zinc/98/65/01/376986501.db2.gz DBOQHRRTFISWGG-FDPIWHGQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000558220876 376986505 /nfs/dbraw/zinc/98/65/05/376986505.db2.gz DBOQHRRTFISWGG-FDPIWHGQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1ccncc1F)[NH+]1CCCCC1 ZINC000340518393 377115820 /nfs/dbraw/zinc/11/58/20/377115820.db2.gz SJUFKMKFQSRRMJ-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340468128 377078553 /nfs/dbraw/zinc/07/85/53/377078553.db2.gz JMUAIKZNCBUIFG-OLZOCXBDSA-N 2 2 261.344 3.271 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000246940911 377124303 /nfs/dbraw/zinc/12/43/03/377124303.db2.gz GWMBKHASOFNHBC-GXTWGEPZSA-N 2 2 279.428 3.151 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000246940911 377124310 /nfs/dbraw/zinc/12/43/10/377124310.db2.gz GWMBKHASOFNHBC-GXTWGEPZSA-N 2 2 279.428 3.151 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000340592436 377161249 /nfs/dbraw/zinc/16/12/49/377161249.db2.gz CIBFSLLJJZZSNI-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000340592432 377162904 /nfs/dbraw/zinc/16/29/04/377162904.db2.gz CIBFSLLJJZZSNI-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247691845 377233676 /nfs/dbraw/zinc/23/36/76/377233676.db2.gz SSGJGEKVMYVTSZ-WBVHZDCISA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247691845 377233682 /nfs/dbraw/zinc/23/36/82/377233682.db2.gz SSGJGEKVMYVTSZ-WBVHZDCISA-N 2 2 269.392 3.275 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000247788352 377240023 /nfs/dbraw/zinc/24/00/23/377240023.db2.gz YUIQXBVLJVTHCC-CABCVRRESA-N 2 2 287.432 3.194 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000247788352 377240032 /nfs/dbraw/zinc/24/00/32/377240032.db2.gz YUIQXBVLJVTHCC-CABCVRRESA-N 2 2 287.432 3.194 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247920287 377244581 /nfs/dbraw/zinc/24/45/81/377244581.db2.gz BBSZJCRVXMIMJG-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247920287 377244585 /nfs/dbraw/zinc/24/45/85/377244585.db2.gz BBSZJCRVXMIMJG-WFASDCNBSA-N 2 2 296.842 3.169 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000562065488 377274052 /nfs/dbraw/zinc/27/40/52/377274052.db2.gz SIUJCFXQDUUTFD-HDEZJCGLSA-N 2 2 260.425 3.456 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000248534284 377338920 /nfs/dbraw/zinc/33/89/20/377338920.db2.gz UYPUBZRBHNDYKR-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000248534284 377338921 /nfs/dbraw/zinc/33/89/21/377338921.db2.gz UYPUBZRBHNDYKR-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248625893 377368930 /nfs/dbraw/zinc/36/89/30/377368930.db2.gz FSKPKUYFWBYOFY-IKGGRYGDSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248625893 377368941 /nfs/dbraw/zinc/36/89/41/377368941.db2.gz FSKPKUYFWBYOFY-IKGGRYGDSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000563039379 377390761 /nfs/dbraw/zinc/39/07/61/377390761.db2.gz WJSUQYDXTAXYDA-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000563039379 377390768 /nfs/dbraw/zinc/39/07/68/377390768.db2.gz WJSUQYDXTAXYDA-YJBOKZPZSA-N 2 2 295.430 3.464 20 0 CGADLP COCC[C@@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000248973226 377435968 /nfs/dbraw/zinc/43/59/68/377435968.db2.gz HARJLPVAFJWGBK-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP COCC[C@@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000248973226 377435975 /nfs/dbraw/zinc/43/59/75/377435975.db2.gz HARJLPVAFJWGBK-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341304721 377501439 /nfs/dbraw/zinc/50/14/39/377501439.db2.gz IBLLMSOEHFRDOF-QAPCUYQASA-N 2 2 287.451 3.214 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CC3)Cc2ccccc2C1 ZINC000563443265 377468377 /nfs/dbraw/zinc/46/83/77/377468377.db2.gz RFFFBDOGNHNGKS-QGZVFWFLSA-N 2 2 284.447 3.008 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc2c(s1)CCCC2 ZINC000313254338 249089729 /nfs/dbraw/zinc/08/97/29/249089729.db2.gz SBMJDMCGFNWWNQ-LBPRGKRZSA-N 2 2 289.448 3.254 20 0 CGADLP CC(C)C[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313248599 249090419 /nfs/dbraw/zinc/09/04/19/249090419.db2.gz BZCBZQUQDCEXCK-CABCVRRESA-N 2 2 263.429 3.157 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000360967054 249113556 /nfs/dbraw/zinc/11/35/56/249113556.db2.gz UQUMOJFFKURUDK-UHFFFAOYSA-N 2 2 296.430 3.433 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573815131 377581131 /nfs/dbraw/zinc/58/11/31/377581131.db2.gz MBTNUVOHABROQX-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000515658464 249217876 /nfs/dbraw/zinc/21/78/76/249217876.db2.gz ZZYALECCJKNHPE-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000515658464 249217878 /nfs/dbraw/zinc/21/78/78/249217878.db2.gz ZZYALECCJKNHPE-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000515658464 249217882 /nfs/dbraw/zinc/21/78/82/249217882.db2.gz ZZYALECCJKNHPE-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC000515658464 249217884 /nfs/dbraw/zinc/21/78/84/249217884.db2.gz ZZYALECCJKNHPE-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000252427383 377620846 /nfs/dbraw/zinc/62/08/46/377620846.db2.gz YRDYXPIYWJISLT-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000252427383 377620852 /nfs/dbraw/zinc/62/08/52/377620852.db2.gz YRDYXPIYWJISLT-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000574516302 377672485 /nfs/dbraw/zinc/67/24/85/377672485.db2.gz DIYQDLGPZFZCCH-GDBMZVCRSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000574516302 377672488 /nfs/dbraw/zinc/67/24/88/377672488.db2.gz DIYQDLGPZFZCCH-GDBMZVCRSA-N 2 2 278.440 3.311 20 0 CGADLP CC1(C)[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1Oc1ccccc1 ZINC000342680086 377730564 /nfs/dbraw/zinc/73/05/64/377730564.db2.gz ZZPICOIZFAFSPJ-IRXDYDNUSA-N 2 2 299.418 3.109 20 0 CGADLP CCC1CC([NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000342699826 377742820 /nfs/dbraw/zinc/74/28/20/377742820.db2.gz PYVVUJZYLMXJCN-SYJJWHGVSA-N 2 2 272.436 3.211 20 0 CGADLP CCC1CC([NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000342699826 377742828 /nfs/dbraw/zinc/74/28/28/377742828.db2.gz PYVVUJZYLMXJCN-SYJJWHGVSA-N 2 2 272.436 3.211 20 0 CGADLP CCC[N@H+](Cc1ncc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC000261628458 377829249 /nfs/dbraw/zinc/82/92/49/377829249.db2.gz HKUNOIDQQGVHHM-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP CCC[N@@H+](Cc1ncc(-c2ccccc2)o1)C1CC[NH2+]CC1 ZINC000261628458 377829257 /nfs/dbraw/zinc/82/92/57/377829257.db2.gz HKUNOIDQQGVHHM-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)c1 ZINC000261700461 377841297 /nfs/dbraw/zinc/84/12/97/377841297.db2.gz LNMQNBCOZLGNEL-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)c1 ZINC000261700461 377841305 /nfs/dbraw/zinc/84/13/05/377841305.db2.gz LNMQNBCOZLGNEL-RBUKOAKNSA-N 2 2 280.415 3.230 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261651940 377835053 /nfs/dbraw/zinc/83/50/53/377835053.db2.gz HLNRCMKOPVKMJQ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261651940 377835060 /nfs/dbraw/zinc/83/50/60/377835060.db2.gz HLNRCMKOPVKMJQ-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP CCCc1csc(C[N@@H+](CCC)C2CC[NH2+]CC2)n1 ZINC000261981149 377875017 /nfs/dbraw/zinc/87/50/17/377875017.db2.gz RKCWLUZNNQBWQW-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP CCCc1csc(C[N@H+](CCC)C2CC[NH2+]CC2)n1 ZINC000261981149 377875022 /nfs/dbraw/zinc/87/50/22/377875022.db2.gz RKCWLUZNNQBWQW-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP C[N@H+](Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261995509 377876085 /nfs/dbraw/zinc/87/60/85/377876085.db2.gz SUGCMEXFUOUVCB-GFCCVEGCSA-N 2 2 293.411 3.009 20 0 CGADLP C[N@@H+](Cc1nc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000261995509 377876089 /nfs/dbraw/zinc/87/60/89/377876089.db2.gz SUGCMEXFUOUVCB-GFCCVEGCSA-N 2 2 293.411 3.009 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC[NH3+] ZINC000262999629 377912194 /nfs/dbraw/zinc/91/21/94/377912194.db2.gz OQBRYQMDIXZWGX-GFCCVEGCSA-N 2 2 275.421 3.070 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC[NH3+] ZINC000262999629 377912201 /nfs/dbraw/zinc/91/22/01/377912201.db2.gz OQBRYQMDIXZWGX-GFCCVEGCSA-N 2 2 275.421 3.070 20 0 CGADLP Fc1cccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1F ZINC000343600329 378034964 /nfs/dbraw/zinc/03/49/64/378034964.db2.gz FWIKYBPHBLWSPQ-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCC2)s1 ZINC000343627170 378045885 /nfs/dbraw/zinc/04/58/85/378045885.db2.gz VNIWAWMENRLFNP-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCC2)s1 ZINC000343627170 378045891 /nfs/dbraw/zinc/04/58/91/378045891.db2.gz VNIWAWMENRLFNP-UHFFFAOYSA-N 2 2 293.480 3.328 20 0 CGADLP C[C@H]1CC[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)CC1 ZINC000578446510 378069563 /nfs/dbraw/zinc/06/95/63/378069563.db2.gz TWNTWWZUERCNLR-JOCQHMNTSA-N 2 2 284.363 3.032 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000343574752 378025688 /nfs/dbraw/zinc/02/56/88/378025688.db2.gz OZVJHUDBQYLIPO-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000578913710 378112666 /nfs/dbraw/zinc/11/26/66/378112666.db2.gz ZLHUAYUFTPRYRS-JZGRTCEGSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000578913710 378112674 /nfs/dbraw/zinc/11/26/74/378112674.db2.gz ZLHUAYUFTPRYRS-JZGRTCEGSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000268800151 378114470 /nfs/dbraw/zinc/11/44/70/378114470.db2.gz HECMYIMLTLCWPT-JSGCOSHPSA-N 2 2 273.380 3.168 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)n1C ZINC000579376876 378155194 /nfs/dbraw/zinc/15/51/94/378155194.db2.gz DMHHDOWXNMLDEZ-QGZVFWFLSA-N 2 2 269.392 3.278 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000580089502 378224024 /nfs/dbraw/zinc/22/40/24/378224024.db2.gz ITYZOTNBHLCBET-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000580089502 378224026 /nfs/dbraw/zinc/22/40/26/378224026.db2.gz ITYZOTNBHLCBET-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@H](c1ccccc1)[NH+](C)C ZINC000580924570 378268358 /nfs/dbraw/zinc/26/83/58/378268358.db2.gz BKSKNSKHLMQEMO-CXAGYDPISA-N 2 2 294.402 3.088 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000583333159 378323659 /nfs/dbraw/zinc/32/36/59/378323659.db2.gz HSRAVPXWFCHEGL-HZPDHXFCSA-N 2 2 292.471 3.017 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000583333159 378323661 /nfs/dbraw/zinc/32/36/61/378323661.db2.gz HSRAVPXWFCHEGL-HZPDHXFCSA-N 2 2 292.471 3.017 20 0 CGADLP CSCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270370577 378341464 /nfs/dbraw/zinc/34/14/64/378341464.db2.gz UDFYIWAUJSOUCX-CQSZACIVSA-N 2 2 289.448 3.172 20 0 CGADLP CSCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270370577 378341468 /nfs/dbraw/zinc/34/14/68/378341468.db2.gz UDFYIWAUJSOUCX-CQSZACIVSA-N 2 2 289.448 3.172 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946221 378417127 /nfs/dbraw/zinc/41/71/27/378417127.db2.gz ZOHMLCJOVFQSHI-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946221 378417135 /nfs/dbraw/zinc/41/71/35/378417135.db2.gz ZOHMLCJOVFQSHI-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000270842240 378404505 /nfs/dbraw/zinc/40/45/05/378404505.db2.gz NWNHWSPLFCXQFJ-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000270842240 378404509 /nfs/dbraw/zinc/40/45/09/378404509.db2.gz NWNHWSPLFCXQFJ-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP C[NH+](C)CCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270871276 378407285 /nfs/dbraw/zinc/40/72/85/378407285.db2.gz BSEDBWULASXFDY-UHFFFAOYSA-N 2 2 286.423 3.121 20 0 CGADLP c1ccc2[nH+]c(NCc3ccc(N4CCCC4)[nH+]c3)[nH]c2c1 ZINC000270583362 378371950 /nfs/dbraw/zinc/37/19/50/378371950.db2.gz QSCMFHKJGVHFKG-UHFFFAOYSA-N 2 2 293.374 3.170 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000584090515 378374007 /nfs/dbraw/zinc/37/40/07/378374007.db2.gz BHTPNHQCQKWDAK-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000584090515 378374012 /nfs/dbraw/zinc/37/40/12/378374012.db2.gz BHTPNHQCQKWDAK-SECBINFHSA-N 2 2 293.263 3.486 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000270653334 378383155 /nfs/dbraw/zinc/38/31/55/378383155.db2.gz PDOZBUFMVQWDES-UHFFFAOYSA-N 2 2 293.361 3.349 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC(F)F ZINC000270653334 378383158 /nfs/dbraw/zinc/38/31/58/378383158.db2.gz PDOZBUFMVQWDES-UHFFFAOYSA-N 2 2 293.361 3.349 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cscn1 ZINC000271067825 378445292 /nfs/dbraw/zinc/44/52/92/378445292.db2.gz DISWGKGZARBNNL-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CCCC[N@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346145228 378479440 /nfs/dbraw/zinc/47/94/40/378479440.db2.gz CXNNGLKKIJAAJK-UHFFFAOYSA-N 2 2 293.436 3.182 20 0 CGADLP CCCC[N@@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346145228 378479444 /nfs/dbraw/zinc/47/94/44/378479444.db2.gz CXNNGLKKIJAAJK-UHFFFAOYSA-N 2 2 293.436 3.182 20 0 CGADLP CCC[C@H](C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000272047062 378552896 /nfs/dbraw/zinc/55/28/96/378552896.db2.gz YSWPTPHWASITFT-HNNXBMFYSA-N 2 2 271.408 3.457 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346588070 378634987 /nfs/dbraw/zinc/63/49/87/378634987.db2.gz FQRAMXMLYSXHHC-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346588070 378634998 /nfs/dbraw/zinc/63/49/98/378634998.db2.gz FQRAMXMLYSXHHC-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000346498204 378595315 /nfs/dbraw/zinc/59/53/15/378595315.db2.gz XMUWDVUODUJBSF-FHLIZLRMSA-N 2 2 290.451 3.009 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642423 378657457 /nfs/dbraw/zinc/65/74/57/378657457.db2.gz MDOCUSDJAYEDHU-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642423 378657464 /nfs/dbraw/zinc/65/74/64/378657464.db2.gz MDOCUSDJAYEDHU-UWVGGRQHSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653680 378662928 /nfs/dbraw/zinc/66/29/28/378662928.db2.gz FCMJNFALCQMULB-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000346653680 378662934 /nfs/dbraw/zinc/66/29/34/378662934.db2.gz FCMJNFALCQMULB-WDEREUQCSA-N 2 2 293.461 3.041 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346660660 378666714 /nfs/dbraw/zinc/66/67/14/378666714.db2.gz SIAQSZCXAKNGEZ-KDOFPFPSSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346660660 378666717 /nfs/dbraw/zinc/66/67/17/378666717.db2.gz SIAQSZCXAKNGEZ-KDOFPFPSSA-N 2 2 284.403 3.341 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000346620983 217964076 /nfs/dbraw/zinc/96/40/76/217964076.db2.gz RWVILXQEROSMPB-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP Fc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000346688383 378675379 /nfs/dbraw/zinc/67/53/79/378675379.db2.gz NTAOCLDXIKZXNB-UHFFFAOYSA-N 2 2 284.378 3.288 20 0 CGADLP Fc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000346688383 378675383 /nfs/dbraw/zinc/67/53/83/378675383.db2.gz NTAOCLDXIKZXNB-UHFFFAOYSA-N 2 2 284.378 3.288 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000346951186 378698441 /nfs/dbraw/zinc/69/84/41/378698441.db2.gz XGLXZMCIWPCNFB-NVXWUHKLSA-N 2 2 284.447 3.367 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000346951186 378698446 /nfs/dbraw/zinc/69/84/46/378698446.db2.gz XGLXZMCIWPCNFB-NVXWUHKLSA-N 2 2 284.447 3.367 20 0 CGADLP Cc1cc(NCc2[nH]cc[nH+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000272459534 378643090 /nfs/dbraw/zinc/64/30/90/378643090.db2.gz NXYLAWCOUBWCOO-CYBMUJFWSA-N 2 2 285.395 3.104 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)ccc1-n1cc[nH+]c1 ZINC000348107258 378794933 /nfs/dbraw/zinc/79/49/33/378794933.db2.gz VTBWNDOAMGHTKI-GOEBONIOSA-N 2 2 285.366 3.290 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c(C)c1 ZINC000274410604 378828352 /nfs/dbraw/zinc/82/83/52/378828352.db2.gz ZYEAWYNYATYCCL-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CS[C@H](C)C2)[NH+](C)C)cc1 ZINC000638448998 378807179 /nfs/dbraw/zinc/80/71/79/378807179.db2.gz YSCMMQHVFFOPAB-KBMXLJTQSA-N 2 2 278.465 3.081 20 0 CGADLP COc1cnccc1[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348222072 378846036 /nfs/dbraw/zinc/84/60/36/378846036.db2.gz HJDGTYBIALFEOX-CQSZACIVSA-N 2 2 285.391 3.077 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348261344 378869880 /nfs/dbraw/zinc/86/98/80/378869880.db2.gz PIIZAQDBPACJKG-QZTJIDSGSA-N 2 2 266.388 3.326 20 0 CGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000346939323 218064049 /nfs/dbraw/zinc/06/40/49/218064049.db2.gz HVQYJSIXNAXZJD-HIFRSBDPSA-N 2 2 290.455 3.068 20 0 CGADLP CC[C@H](C)[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000346950741 218068025 /nfs/dbraw/zinc/06/80/25/218068025.db2.gz UGPBPXRTGPTMOL-LZWOXQAQSA-N 2 2 290.455 3.068 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnccn1 ZINC000348322856 378907341 /nfs/dbraw/zinc/90/73/41/378907341.db2.gz QTARSGSWYDOPFR-PMPSAXMXSA-N 2 2 290.455 3.028 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000348323877 378909739 /nfs/dbraw/zinc/90/97/39/378909739.db2.gz PTDGJNFZLCZWBI-OLZOCXBDSA-N 2 2 281.469 3.231 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000348323877 378909748 /nfs/dbraw/zinc/90/97/48/378909748.db2.gz PTDGJNFZLCZWBI-OLZOCXBDSA-N 2 2 281.469 3.231 20 0 CGADLP c1ccc(NCCCCNc2cc[nH+]c3ccccc23)[nH+]c1 ZINC000346990241 218081073 /nfs/dbraw/zinc/08/10/73/218081073.db2.gz VMRAWJFRMGVFCW-UHFFFAOYSA-N 2 2 292.386 3.356 20 0 CGADLP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)[NH+]1CCCCC1 ZINC000639038164 378974070 /nfs/dbraw/zinc/97/40/70/378974070.db2.gz QNNFKHILGIHHBR-AWEZNQCLSA-N 2 2 287.407 3.182 20 0 CGADLP COC1CC[NH+](CC[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638897320 378949319 /nfs/dbraw/zinc/94/93/19/378949319.db2.gz GFPAYDUWFLZOLG-UHFFFAOYSA-N 2 2 292.467 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347076607 218114044 /nfs/dbraw/zinc/11/40/44/218114044.db2.gz HLOHXFYPTYRILL-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347076607 218114045 /nfs/dbraw/zinc/11/40/45/218114045.db2.gz HLOHXFYPTYRILL-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000639054348 378987722 /nfs/dbraw/zinc/98/77/22/378987722.db2.gz OZCRLSCBNDNIBY-LUYZLQTOSA-N 2 2 278.465 3.161 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123462 218129568 /nfs/dbraw/zinc/12/95/68/218129568.db2.gz NXTRWYRPPOUCAS-HLLBOEOZSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123462 218129569 /nfs/dbraw/zinc/12/95/69/218129569.db2.gz NXTRWYRPPOUCAS-HLLBOEOZSA-N 2 2 274.408 3.361 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000347180516 218146926 /nfs/dbraw/zinc/14/69/26/218146926.db2.gz USIMCHWWUGBIMK-ZBFHGGJFSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000347180516 218146929 /nfs/dbraw/zinc/14/69/29/218146929.db2.gz USIMCHWWUGBIMK-ZBFHGGJFSA-N 2 2 276.424 3.176 20 0 CGADLP c1cn(C2CCCC2)nc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370559537 379033638 /nfs/dbraw/zinc/03/36/38/379033638.db2.gz UZMFYFHFDVCJPB-UHFFFAOYSA-N 2 2 299.422 3.101 20 0 CGADLP CCc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000348818951 379065892 /nfs/dbraw/zinc/06/58/92/379065892.db2.gz UCEKGRJWIITQAT-UHFFFAOYSA-N 2 2 290.407 3.389 20 0 CGADLP CCc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000348818951 379065897 /nfs/dbraw/zinc/06/58/97/379065897.db2.gz UCEKGRJWIITQAT-UHFFFAOYSA-N 2 2 290.407 3.389 20 0 CGADLP CCc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000348818951 379065902 /nfs/dbraw/zinc/06/59/02/379065902.db2.gz UCEKGRJWIITQAT-UHFFFAOYSA-N 2 2 290.407 3.389 20 0 CGADLP CCc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000348818951 379065905 /nfs/dbraw/zinc/06/59/05/379065905.db2.gz UCEKGRJWIITQAT-UHFFFAOYSA-N 2 2 290.407 3.389 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870319 379093213 /nfs/dbraw/zinc/09/32/13/379093213.db2.gz SDBIWBUVGVVJMU-YPIDSRPYSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870319 379093221 /nfs/dbraw/zinc/09/32/21/379093221.db2.gz SDBIWBUVGVVJMU-YPIDSRPYSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000348870319 379093228 /nfs/dbraw/zinc/09/32/28/379093228.db2.gz SDBIWBUVGVVJMU-YPIDSRPYSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000348870319 379093237 /nfs/dbraw/zinc/09/32/37/379093237.db2.gz SDBIWBUVGVVJMU-YPIDSRPYSA-N 2 2 288.435 3.460 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C2CC2)no1 ZINC000639173421 379092314 /nfs/dbraw/zinc/09/23/14/379092314.db2.gz BHSXAIZZNZOYGK-UHFFFAOYSA-N 2 2 279.428 3.106 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C2CC2)no1 ZINC000639173421 379092329 /nfs/dbraw/zinc/09/23/29/379092329.db2.gz BHSXAIZZNZOYGK-UHFFFAOYSA-N 2 2 279.428 3.106 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000371068337 379102869 /nfs/dbraw/zinc/10/28/69/379102869.db2.gz GDQLBCIWJRRZBF-KRWDZBQOSA-N 2 2 283.419 3.421 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639182259 379103921 /nfs/dbraw/zinc/10/39/21/379103921.db2.gz DRQSCGXLXXZNSG-KMFMINBZSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639182259 379103924 /nfs/dbraw/zinc/10/39/24/379103924.db2.gz DRQSCGXLXXZNSG-KMFMINBZSA-N 2 2 276.399 3.302 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639176624 379095896 /nfs/dbraw/zinc/09/58/96/379095896.db2.gz IKGFKKFSYHRFCG-YQVWRLOYSA-N 2 2 295.430 3.403 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000639176624 379095908 /nfs/dbraw/zinc/09/59/08/379095908.db2.gz IKGFKKFSYHRFCG-YQVWRLOYSA-N 2 2 295.430 3.403 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)nc1 ZINC000639175728 379096194 /nfs/dbraw/zinc/09/61/94/379096194.db2.gz RUTFPWWNTQHZHX-UHFFFAOYSA-N 2 2 285.382 3.183 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)F)nc1 ZINC000639175728 379096203 /nfs/dbraw/zinc/09/62/03/379096203.db2.gz RUTFPWWNTQHZHX-UHFFFAOYSA-N 2 2 285.382 3.183 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135291 379167093 /nfs/dbraw/zinc/16/70/93/379167093.db2.gz YHADLFRIFCLNRZ-SJLPKXTDSA-N 2 2 297.446 3.478 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349135291 379167102 /nfs/dbraw/zinc/16/71/02/379167102.db2.gz YHADLFRIFCLNRZ-SJLPKXTDSA-N 2 2 297.446 3.478 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000277363089 379139934 /nfs/dbraw/zinc/13/99/34/379139934.db2.gz XEJQAAAMWZSQHF-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000277363089 379139938 /nfs/dbraw/zinc/13/99/38/379139938.db2.gz XEJQAAAMWZSQHF-MRXNPFEDSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000277368417 379142958 /nfs/dbraw/zinc/14/29/58/379142958.db2.gz XLFUTSYOBMIWGW-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000277368417 379142960 /nfs/dbraw/zinc/14/29/60/379142960.db2.gz XLFUTSYOBMIWGW-KRWDZBQOSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000277617570 379202416 /nfs/dbraw/zinc/20/24/16/379202416.db2.gz JSCUJKDOQBGVEM-GXTWGEPZSA-N 2 2 280.362 3.037 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000277617570 379202425 /nfs/dbraw/zinc/20/24/25/379202425.db2.gz JSCUJKDOQBGVEM-GXTWGEPZSA-N 2 2 280.362 3.037 20 0 CGADLP COc1cccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1F ZINC000192665197 542267305 /nfs/dbraw/zinc/26/73/05/542267305.db2.gz NOKIORFMHGPRBJ-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1sc(C)nc1C ZINC000349380040 379257762 /nfs/dbraw/zinc/25/77/62/379257762.db2.gz CUEPJBOGDMEIDT-UHFFFAOYSA-N 2 2 283.485 3.314 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1sc(C)nc1C ZINC000349380040 379257771 /nfs/dbraw/zinc/25/77/71/379257771.db2.gz CUEPJBOGDMEIDT-UHFFFAOYSA-N 2 2 283.485 3.314 20 0 CGADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000349424136 379278763 /nfs/dbraw/zinc/27/87/63/379278763.db2.gz ZFZAGHLEGIAJJW-UHFFFAOYSA-N 2 2 287.407 3.477 20 0 CGADLP COc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1F ZINC000192669732 542267897 /nfs/dbraw/zinc/26/78/97/542267897.db2.gz LMUMEOAWJKUWED-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(O)c1)CCC2 ZINC000374205416 379392985 /nfs/dbraw/zinc/39/29/85/379392985.db2.gz PIKICYRTMOFAKS-HIFRSBDPSA-N 2 2 285.391 3.125 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](C)[NH+](C)C ZINC000349814332 379397405 /nfs/dbraw/zinc/39/74/05/379397405.db2.gz TWBKFFFHLDZQOE-GOEBONIOSA-N 2 2 260.425 3.221 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000639514600 379445934 /nfs/dbraw/zinc/44/59/34/379445934.db2.gz FQGMIVSOBMAGHX-RDJZCZTQSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000639514600 379445939 /nfs/dbraw/zinc/44/59/39/379445939.db2.gz FQGMIVSOBMAGHX-RDJZCZTQSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)c(C)[nH+]1 ZINC000639516705 379448922 /nfs/dbraw/zinc/44/89/22/379448922.db2.gz LTISRZLDWPUHHD-MRXNPFEDSA-N 2 2 276.424 3.254 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c(C)[nH+]1 ZINC000639516705 379448929 /nfs/dbraw/zinc/44/89/29/379448929.db2.gz LTISRZLDWPUHHD-MRXNPFEDSA-N 2 2 276.424 3.254 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000349999854 379473957 /nfs/dbraw/zinc/47/39/57/379473957.db2.gz GEKGQEDEPBRTKG-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000349999854 379473961 /nfs/dbraw/zinc/47/39/61/379473961.db2.gz GEKGQEDEPBRTKG-UHFFFAOYSA-N 2 2 266.816 3.256 20 0 CGADLP c1coc(-c2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)no2)c1 ZINC000266784381 190280568 /nfs/dbraw/zinc/28/05/68/190280568.db2.gz VVJIQEAAGAZSAY-UHFFFAOYSA-N 2 2 298.346 3.037 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000280052364 379592246 /nfs/dbraw/zinc/59/22/46/379592246.db2.gz XRFCSGCAYQDCGJ-YJBOKZPZSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1cc(C)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376759957 379600030 /nfs/dbraw/zinc/60/00/30/379600030.db2.gz XYYRUPFMDASTRD-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570201355 322267702 /nfs/dbraw/zinc/26/77/02/322267702.db2.gz VCTVPBHQHQVSHQ-CQSZACIVSA-N 2 2 259.397 3.149 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC)cc1 ZINC000377755209 379733511 /nfs/dbraw/zinc/73/35/11/379733511.db2.gz CZZMAVAGFSDOBQ-GOEBONIOSA-N 2 2 299.418 3.407 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OC)cc1 ZINC000377755209 379733515 /nfs/dbraw/zinc/73/35/15/379733515.db2.gz CZZMAVAGFSDOBQ-GOEBONIOSA-N 2 2 299.418 3.407 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000377827143 379748393 /nfs/dbraw/zinc/74/83/93/379748393.db2.gz UADWCYQQNXIDBO-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000377827143 379748397 /nfs/dbraw/zinc/74/83/97/379748397.db2.gz UADWCYQQNXIDBO-MRXNPFEDSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000377627640 379709818 /nfs/dbraw/zinc/70/98/18/379709818.db2.gz QCWQCZQFSKGTQJ-ROUUACIJSA-N 2 2 288.435 3.117 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000352343980 379773182 /nfs/dbraw/zinc/77/31/82/379773182.db2.gz BUDJVDWOCQJRPQ-ZACQAIPSSA-N 2 2 281.403 3.393 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000352343980 379773189 /nfs/dbraw/zinc/77/31/89/379773189.db2.gz BUDJVDWOCQJRPQ-ZACQAIPSSA-N 2 2 281.403 3.393 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267414333 190328785 /nfs/dbraw/zinc/32/87/85/190328785.db2.gz IYJSUYQGDWUSHU-KZJSRBBCSA-N 2 2 267.376 3.303 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267414333 190328786 /nfs/dbraw/zinc/32/87/86/190328786.db2.gz IYJSUYQGDWUSHU-KZJSRBBCSA-N 2 2 267.376 3.303 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3CC[NH3+])o2)cc1 ZINC000352488910 379833792 /nfs/dbraw/zinc/83/37/92/379833792.db2.gz VYSHNOUHXRFIPN-INIZCTEOSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3CC[NH3+])o2)cc1 ZINC000352488910 379833796 /nfs/dbraw/zinc/83/37/96/379833796.db2.gz VYSHNOUHXRFIPN-INIZCTEOSA-N 2 2 299.418 3.353 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352546260 379852317 /nfs/dbraw/zinc/85/23/17/379852317.db2.gz SCSNRXLCPOSCHN-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352546260 379852324 /nfs/dbraw/zinc/85/23/24/379852324.db2.gz SCSNRXLCPOSCHN-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734779 379929874 /nfs/dbraw/zinc/92/98/74/379929874.db2.gz BRGGRRVXULFRNF-VIFPVBQESA-N 2 2 295.374 3.025 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000389844630 379903629 /nfs/dbraw/zinc/90/36/29/379903629.db2.gz PXOFAPWUZCSSAI-QTUASDBPSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000389844630 379903636 /nfs/dbraw/zinc/90/36/36/379903636.db2.gz PXOFAPWUZCSSAI-QTUASDBPSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000389658060 379903977 /nfs/dbraw/zinc/90/39/77/379903977.db2.gz SNOQUVKMRPILHG-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)C[N@H+]1C1CC1 ZINC000389658060 379903983 /nfs/dbraw/zinc/90/39/83/379903983.db2.gz SNOQUVKMRPILHG-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC3(CCCC3)CC2)s1 ZINC000347817806 218368599 /nfs/dbraw/zinc/36/85/99/218368599.db2.gz PMRHIPSYZGAHEU-UHFFFAOYSA-N 2 2 293.480 3.361 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000404663452 379983330 /nfs/dbraw/zinc/98/33/30/379983330.db2.gz SSWBVGBQSBEOQV-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324938 379947810 /nfs/dbraw/zinc/94/78/10/379947810.db2.gz CZCFBQGNHGSBAL-UHIISALHSA-N 2 2 252.789 3.131 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400392524 379949006 /nfs/dbraw/zinc/94/90/06/379949006.db2.gz AUWNHLMQMDVSPZ-HUBLWGQQSA-N 2 2 264.438 3.200 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400342490 379949879 /nfs/dbraw/zinc/94/98/79/379949879.db2.gz HCTDMYQPVQXUCQ-JJRVBVJISA-N 2 2 276.424 3.265 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000347851874 218377637 /nfs/dbraw/zinc/37/76/37/218377637.db2.gz IWSIGXHZRFUGPM-GOSISDBHSA-N 2 2 287.451 3.094 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000347851874 218377639 /nfs/dbraw/zinc/37/76/39/218377639.db2.gz IWSIGXHZRFUGPM-GOSISDBHSA-N 2 2 287.451 3.094 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000641323775 379989947 /nfs/dbraw/zinc/98/99/47/379989947.db2.gz OWTPDTILJZMADD-UHFFFAOYSA-N 2 2 284.407 3.417 20 0 CGADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641491788 380017149 /nfs/dbraw/zinc/01/71/49/380017149.db2.gz QDYQHHGUORQHIX-LBPRGKRZSA-N 2 2 291.395 3.165 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352934990 380047514 /nfs/dbraw/zinc/04/75/14/380047514.db2.gz XKDYYIAQNJMPRU-WMLDXEAASA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352934990 380047518 /nfs/dbraw/zinc/04/75/18/380047518.db2.gz XKDYYIAQNJMPRU-WMLDXEAASA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352934990 380047521 /nfs/dbraw/zinc/04/75/21/380047521.db2.gz XKDYYIAQNJMPRU-WMLDXEAASA-N 2 2 284.403 3.267 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352934990 380047525 /nfs/dbraw/zinc/04/75/25/380047525.db2.gz XKDYYIAQNJMPRU-WMLDXEAASA-N 2 2 284.403 3.267 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000285252993 380144290 /nfs/dbraw/zinc/14/42/90/380144290.db2.gz AQUCLAIGMOJZSY-SQNIBIBYSA-N 2 2 281.403 3.151 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000285252993 380144300 /nfs/dbraw/zinc/14/43/00/380144300.db2.gz AQUCLAIGMOJZSY-SQNIBIBYSA-N 2 2 281.403 3.151 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC000410406793 380093239 /nfs/dbraw/zinc/09/32/39/380093239.db2.gz WCFKPUMFTJLMNX-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC000410406793 380093247 /nfs/dbraw/zinc/09/32/47/380093247.db2.gz WCFKPUMFTJLMNX-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC(C)C ZINC000410406793 380093261 /nfs/dbraw/zinc/09/32/61/380093261.db2.gz WCFKPUMFTJLMNX-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC(C)C ZINC000410406793 380093272 /nfs/dbraw/zinc/09/32/72/380093272.db2.gz WCFKPUMFTJLMNX-OAGGEKHMSA-N 2 2 252.446 3.227 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)CC2 ZINC000641781552 380096465 /nfs/dbraw/zinc/09/64/65/380096465.db2.gz VCCKESRHIUDBGI-SJLPKXTDSA-N 2 2 281.403 3.329 20 0 CGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000641802974 380113657 /nfs/dbraw/zinc/11/36/57/380113657.db2.gz QHDYKANHGLRGBT-RYUDHWBXSA-N 2 2 293.461 3.087 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000641819978 380115157 /nfs/dbraw/zinc/11/51/57/380115157.db2.gz KHASTMFXFWBZLC-INIZCTEOSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000641819978 380115164 /nfs/dbraw/zinc/11/51/64/380115164.db2.gz KHASTMFXFWBZLC-INIZCTEOSA-N 2 2 299.418 3.353 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067274 380210433 /nfs/dbraw/zinc/21/04/33/380210433.db2.gz YQHKKBCTFPVRFR-YJBOKZPZSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067274 380210439 /nfs/dbraw/zinc/21/04/39/380210439.db2.gz YQHKKBCTFPVRFR-YJBOKZPZSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066444 380210549 /nfs/dbraw/zinc/21/05/49/380210549.db2.gz OPELECAHLDZZFC-UYAOXDASSA-N 2 2 294.442 3.456 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066444 380210555 /nfs/dbraw/zinc/21/05/55/380210555.db2.gz OPELECAHLDZZFC-UYAOXDASSA-N 2 2 294.442 3.456 20 0 CGADLP C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906956 380228444 /nfs/dbraw/zinc/22/84/44/380228444.db2.gz BYZJSNYQEOSCBB-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353906956 380228448 /nfs/dbraw/zinc/22/84/48/380228448.db2.gz BYZJSNYQEOSCBB-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C(C)(C)OC)c1ccccc1 ZINC000314370688 284824008 /nfs/dbraw/zinc/82/40/08/284824008.db2.gz MITXOBDGKZHEKA-DOTOQJQBSA-N 2 2 292.467 3.473 20 0 CGADLP Cc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353918915 380234480 /nfs/dbraw/zinc/23/44/80/380234480.db2.gz VKTPZCDMEAPWHW-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP c1coc([C@@H]2C[C@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000414562443 380321483 /nfs/dbraw/zinc/32/14/83/380321483.db2.gz AXPOXDRTTMGSCK-ZIAGYGMSSA-N 2 2 285.372 3.173 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000643502236 380324314 /nfs/dbraw/zinc/32/43/14/380324314.db2.gz ASVCFFALNFKSFP-DYVFJYSZSA-N 2 2 258.409 3.357 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643501719 380324366 /nfs/dbraw/zinc/32/43/66/380324366.db2.gz OOTMJCCBGLJZBO-IRXDYDNUSA-N 2 2 258.409 3.178 20 0 CGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH2+]C1CC1 ZINC000643506674 380328020 /nfs/dbraw/zinc/32/80/20/380328020.db2.gz FKGKJMPESTWVIX-JTQLQIEISA-N 2 2 287.234 3.266 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000643506762 380328431 /nfs/dbraw/zinc/32/84/31/380328431.db2.gz HWFPTVZYSCPLSM-NWDGAFQWSA-N 2 2 289.448 3.130 20 0 CGADLP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507664 380330216 /nfs/dbraw/zinc/33/02/16/380330216.db2.gz MDOQWURJLYKJBQ-GDBMZVCRSA-N 2 2 278.827 3.318 20 0 CGADLP CC1(C)CC[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507630 380330502 /nfs/dbraw/zinc/33/05/02/380330502.db2.gz LDNUNFUQLDFEBB-INIZCTEOSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414708737 380383553 /nfs/dbraw/zinc/38/35/53/380383553.db2.gz PFNIPJRFDHXIDH-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414708737 380383555 /nfs/dbraw/zinc/38/35/55/380383555.db2.gz PFNIPJRFDHXIDH-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000354146818 380344817 /nfs/dbraw/zinc/34/48/17/380344817.db2.gz QFOAMLDOLBRJFX-CYBMUJFWSA-N 2 2 275.371 3.011 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000354167916 380351285 /nfs/dbraw/zinc/35/12/85/380351285.db2.gz UPHLFAYDVBVUCA-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000354167916 380351286 /nfs/dbraw/zinc/35/12/86/380351286.db2.gz UPHLFAYDVBVUCA-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000354167916 380351289 /nfs/dbraw/zinc/35/12/89/380351289.db2.gz UPHLFAYDVBVUCA-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1F ZINC000354167916 380351291 /nfs/dbraw/zinc/35/12/91/380351291.db2.gz UPHLFAYDVBVUCA-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@](C)(CO)C2CCCCC2)c[nH+]1 ZINC000354402555 380425344 /nfs/dbraw/zinc/42/53/44/380425344.db2.gz HVSUGQFTVIARJD-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP COc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414814276 380426167 /nfs/dbraw/zinc/42/61/67/380426167.db2.gz RKSSUXDCIFORAC-UHFFFAOYSA-N 2 2 276.424 3.097 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c[nH+]1 ZINC000414817671 380427360 /nfs/dbraw/zinc/42/73/60/380427360.db2.gz SRUUDGNCBZFIEO-HNNXBMFYSA-N 3 2 283.419 3.132 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414818840 380430188 /nfs/dbraw/zinc/43/01/88/380430188.db2.gz WUSUHCARMLGJEN-OAHLLOKOSA-N 2 2 276.424 3.007 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1 ZINC000414826905 380435557 /nfs/dbraw/zinc/43/55/57/380435557.db2.gz GKNKQPOPPWIKGW-SFHVURJKSA-N 2 2 266.388 3.354 20 0 CGADLP CC1(C)Cc2cccc(C[NH2+]C[C@@H]([NH3+])c3ccccc3)c2O1 ZINC000414829965 380437255 /nfs/dbraw/zinc/43/72/55/380437255.db2.gz LKESBGWWPZXAFX-QGZVFWFLSA-N 2 2 296.414 3.190 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000414838218 380446034 /nfs/dbraw/zinc/44/60/34/380446034.db2.gz VEQMAAHWZLMCAI-OAHLLOKOSA-N 2 2 294.320 3.495 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414844229 380449560 /nfs/dbraw/zinc/44/95/60/380449560.db2.gz KPIXIYXGLDOPLP-INIZCTEOSA-N 2 2 278.440 3.072 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2F)CCCCC1 ZINC000414847959 380452182 /nfs/dbraw/zinc/45/21/82/380452182.db2.gz VMBJANFSTGPIDD-UHFFFAOYSA-N 2 2 270.779 3.230 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414789110 380405234 /nfs/dbraw/zinc/40/52/34/380405234.db2.gz DZVPTWAIQNSKAX-GFCCVEGCSA-N 2 2 266.772 3.159 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414809955 380422758 /nfs/dbraw/zinc/42/27/58/380422758.db2.gz HJLGUQGXDUWNPT-NSHDSACASA-N 2 2 269.458 3.048 20 0 CGADLP CC[C@H](C)C[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414935336 380496488 /nfs/dbraw/zinc/49/64/88/380496488.db2.gz FTWXIDOBUUNSBJ-SUMWQHHRSA-N 2 2 256.393 3.475 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)C[NH+]2CCCCCC2)c[nH+]1 ZINC000354647384 380513256 /nfs/dbraw/zinc/51/32/56/380513256.db2.gz LAGSWUAVKMNWQW-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)CC(F)(F)F)c[nH+]1 ZINC000354655714 380517035 /nfs/dbraw/zinc/51/70/35/380517035.db2.gz WGTYTJDSCNCNEP-NSHDSACASA-N 2 2 260.303 3.253 20 0 CGADLP CCSCC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354508819 380463402 /nfs/dbraw/zinc/46/34/02/380463402.db2.gz JUJVGAORTGIRHD-CQSZACIVSA-N 2 2 266.454 3.444 20 0 CGADLP CCC(CC)(CC(=O)OC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354509874 380464360 /nfs/dbraw/zinc/46/43/60/380464360.db2.gz LIJZRIHGEYFYKE-UHFFFAOYSA-N 2 2 292.423 3.034 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1c2ccccc2oc1CC ZINC000414891723 380476042 /nfs/dbraw/zinc/47/60/42/380476042.db2.gz WTZHSOWIFIEQIV-UHFFFAOYSA-N 2 2 260.381 3.084 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CCC1 ZINC000414893652 380478217 /nfs/dbraw/zinc/47/82/17/380478217.db2.gz YKVOZMROTAIODS-UHFFFAOYSA-N 2 2 274.339 3.057 20 0 CGADLP Clc1scc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1Cl ZINC000414899404 380479682 /nfs/dbraw/zinc/47/96/82/380479682.db2.gz BSUXCKFLTDUCFM-SECBINFHSA-N 2 2 279.236 3.287 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(C)c1 ZINC000355136182 380594645 /nfs/dbraw/zinc/59/46/45/380594645.db2.gz PODJTYHUYGFOJJ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(C)c1 ZINC000355136182 380594650 /nfs/dbraw/zinc/59/46/50/380594650.db2.gz PODJTYHUYGFOJJ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(C)c1 ZINC000355136182 380594654 /nfs/dbraw/zinc/59/46/54/380594654.db2.gz PODJTYHUYGFOJJ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(C)c1 ZINC000355136182 380594659 /nfs/dbraw/zinc/59/46/59/380594659.db2.gz PODJTYHUYGFOJJ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000417354205 380605805 /nfs/dbraw/zinc/60/58/05/380605805.db2.gz LIGIXXUBBUKLSV-HNNXBMFYSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353946 380605953 /nfs/dbraw/zinc/60/59/53/380605953.db2.gz KQJQKFGLPJGQHZ-LLVKDONJSA-N 2 2 286.872 3.406 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000645775794 380726565 /nfs/dbraw/zinc/72/65/65/380726565.db2.gz PFNFOZCQJVUPOO-UHFFFAOYSA-N 2 2 276.330 3.343 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)Cc1ccc(F)cc1F ZINC000645775794 380726570 /nfs/dbraw/zinc/72/65/70/380726570.db2.gz PFNFOZCQJVUPOO-UHFFFAOYSA-N 2 2 276.330 3.343 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H]3CC[C@H](C)C3)c[nH+]c12 ZINC000355608411 380727162 /nfs/dbraw/zinc/72/71/62/380727162.db2.gz OURZVMJSRGJMTN-JSGCOSHPSA-N 2 2 257.381 3.169 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000356690486 380825656 /nfs/dbraw/zinc/82/56/56/380825656.db2.gz ZORALLHGNUNOHQ-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000356676774 380820724 /nfs/dbraw/zinc/82/07/24/380820724.db2.gz CRXQOLXTIVIJTM-BRWVUGGUSA-N 2 2 270.420 3.149 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000356676774 380820732 /nfs/dbraw/zinc/82/07/32/380820732.db2.gz CRXQOLXTIVIJTM-BRWVUGGUSA-N 2 2 270.420 3.149 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000420367209 380852417 /nfs/dbraw/zinc/85/24/17/380852417.db2.gz MUMJLMBHSCSOEK-DZHLUBAWSA-N 2 2 268.351 3.002 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000356870666 380911311 /nfs/dbraw/zinc/91/13/11/380911311.db2.gz OHWSLXWXVMYHRU-HNNXBMFYSA-N 2 2 275.440 3.171 20 0 CGADLP C[NH+]1CCC([NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000421377627 380918427 /nfs/dbraw/zinc/91/84/27/380918427.db2.gz UDZZYQQXGPYSAK-CQSZACIVSA-N 2 2 268.351 3.067 20 0 CGADLP COc1cccc2c(N[C@@H](C)Cn3cc[nH+]c3)cc(C)[nH+]c12 ZINC000357328070 381107424 /nfs/dbraw/zinc/10/74/24/381107424.db2.gz WEMYBNOQBYGLEW-ZDUSSCGKSA-N 2 2 296.374 3.249 20 0 CGADLP Cc1cc[nH+]c(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000357663869 381241976 /nfs/dbraw/zinc/24/19/76/381241976.db2.gz SJESIBCTCRUJDN-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358303313 381301686 /nfs/dbraw/zinc/30/16/86/381301686.db2.gz QOWKRYCVFGSBHA-CXAGYDPISA-N 2 2 270.420 3.235 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000358303313 381301691 /nfs/dbraw/zinc/30/16/91/381301691.db2.gz QOWKRYCVFGSBHA-CXAGYDPISA-N 2 2 270.420 3.235 20 0 CGADLP Cc1ccc(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c[nH+]1 ZINC000334848791 207181681 /nfs/dbraw/zinc/18/16/81/207181681.db2.gz KJAHTEPNDDISAT-RDJZCZTQSA-N 2 2 267.376 3.295 20 0 CGADLP Cc1ccc(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c[nH+]1 ZINC000334848793 207182161 /nfs/dbraw/zinc/18/21/61/207182161.db2.gz KJAHTEPNDDISAT-WBVHZDCISA-N 2 2 267.376 3.295 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000334853638 207189811 /nfs/dbraw/zinc/18/98/11/207189811.db2.gz UIBFUSJMQOPTHG-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000334853638 207189814 /nfs/dbraw/zinc/18/98/14/207189814.db2.gz UIBFUSJMQOPTHG-SWLSCSKDSA-N 2 2 290.798 3.015 20 0 CGADLP CCCC[C@H](COC)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361494843 381774933 /nfs/dbraw/zinc/77/49/33/381774933.db2.gz AHMTUHPTGAPHGU-MRXNPFEDSA-N 2 2 287.407 3.167 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000227675219 542296475 /nfs/dbraw/zinc/29/64/75/542296475.db2.gz UFKCAONWYZVFGB-UKRRQHHQSA-N 2 2 269.392 3.473 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000235524014 542312444 /nfs/dbraw/zinc/31/24/44/542312444.db2.gz CUMRFLFSAKNBEN-UWVGGRQHSA-N 2 2 258.818 3.194 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1CCCC1)CCC2 ZINC000366207488 382303717 /nfs/dbraw/zinc/30/37/17/382303717.db2.gz BTMFBDDCCUIOII-DZGCQCFKSA-N 2 2 261.413 3.237 20 0 CGADLP [NH3+]C1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCCC1 ZINC000237961494 542318674 /nfs/dbraw/zinc/31/86/74/542318674.db2.gz MCSQCTPEANJICC-UHFFFAOYSA-N 2 2 297.358 3.084 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000415024757 532993152 /nfs/dbraw/zinc/99/31/52/532993152.db2.gz YZXZUBWAKMKJOE-OLZOCXBDSA-N 2 2 272.367 3.318 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423385978 533007217 /nfs/dbraw/zinc/00/72/17/533007217.db2.gz LATXIVAIQGSSLG-XJKSGUPXSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000423396497 533002103 /nfs/dbraw/zinc/00/21/03/533002103.db2.gz RRILQYRNBPKTPZ-CRAIPNDOSA-N 2 2 268.404 3.282 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000335282664 208095430 /nfs/dbraw/zinc/09/54/30/208095430.db2.gz YUACQXCGUUNJKY-ZYHUDNBSSA-N 2 2 293.773 3.341 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC1(F)F ZINC000335371654 208300275 /nfs/dbraw/zinc/30/02/75/208300275.db2.gz MVRUGXHLCPJZQK-LLVKDONJSA-N 2 2 297.374 3.411 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCC1(F)F ZINC000335371654 208300277 /nfs/dbraw/zinc/30/02/77/208300277.db2.gz MVRUGXHLCPJZQK-LLVKDONJSA-N 2 2 297.374 3.411 20 0 CGADLP Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000335403924 208380779 /nfs/dbraw/zinc/38/07/79/208380779.db2.gz GPBUCULRRLJUSJ-LBPRGKRZSA-N 2 2 291.782 3.148 20 0 CGADLP Oc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000335403924 208380782 /nfs/dbraw/zinc/38/07/82/208380782.db2.gz GPBUCULRRLJUSJ-LBPRGKRZSA-N 2 2 291.782 3.148 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738158 220290115 /nfs/dbraw/zinc/29/01/15/220290115.db2.gz KQPLZEKOHKDSEC-QWHCGFSZSA-N 2 2 282.453 3.061 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738158 220290118 /nfs/dbraw/zinc/29/01/18/220290118.db2.gz KQPLZEKOHKDSEC-QWHCGFSZSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738158 220290120 /nfs/dbraw/zinc/29/01/20/220290120.db2.gz KQPLZEKOHKDSEC-QWHCGFSZSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738158 220290123 /nfs/dbraw/zinc/29/01/23/220290123.db2.gz KQPLZEKOHKDSEC-QWHCGFSZSA-N 2 2 282.453 3.061 20 0 CGADLP C[N@H+](CCc1ccncc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000350397704 219014785 /nfs/dbraw/zinc/01/47/85/219014785.db2.gz YQBQXLLYOBHSTI-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP C[N@@H+](CCc1ccncc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000350397704 219014788 /nfs/dbraw/zinc/01/47/88/219014788.db2.gz YQBQXLLYOBHSTI-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000350473901 219027212 /nfs/dbraw/zinc/02/72/12/219027212.db2.gz GMHHRAKDUHHMIM-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP COC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000423254297 533091260 /nfs/dbraw/zinc/09/12/60/533091260.db2.gz ZVHMPXXHWDBQIO-IRXDYDNUSA-N 2 2 278.440 3.070 20 0 CGADLP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000287294826 542395763 /nfs/dbraw/zinc/39/57/63/542395763.db2.gz DIIRIBPPNBGLEP-BXUZGUMPSA-N 2 2 292.814 3.017 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cccnc1 ZINC000289046829 197220415 /nfs/dbraw/zinc/22/04/15/197220415.db2.gz BCLRHYSITGIKMG-CQSZACIVSA-N 2 2 255.365 3.068 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249147802 296390993 /nfs/dbraw/zinc/39/09/93/296390993.db2.gz XEVKQLBNIQEHGT-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249147802 296390994 /nfs/dbraw/zinc/39/09/94/296390994.db2.gz XEVKQLBNIQEHGT-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccccc4O[C@@H]3C)n2c1 ZINC000288453104 197082568 /nfs/dbraw/zinc/08/25/68/197082568.db2.gz DDUOSXRMYUJYIE-ACJLOTCBSA-N 2 2 293.370 3.255 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000354290120 220658603 /nfs/dbraw/zinc/65/86/03/220658603.db2.gz QPNUNUHTRHXRCP-ZDUSSCGKSA-N 2 2 283.375 3.347 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000354449611 220745836 /nfs/dbraw/zinc/74/58/36/220745836.db2.gz AMLMEHGCPIVFAY-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328507849 542443981 /nfs/dbraw/zinc/44/39/81/542443981.db2.gz MBXYQZCSNVRYIT-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328507849 542443985 /nfs/dbraw/zinc/44/39/85/542443985.db2.gz MBXYQZCSNVRYIT-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328465361 542444666 /nfs/dbraw/zinc/44/46/66/542444666.db2.gz JAYLBEXUPHJACK-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328465361 542444670 /nfs/dbraw/zinc/44/46/70/542444670.db2.gz JAYLBEXUPHJACK-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP FC1(F)CC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281675338 195331636 /nfs/dbraw/zinc/33/16/36/195331636.db2.gz OFGZLHLFDKHNSM-CQSZACIVSA-N 2 2 291.345 3.397 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@H]2C ZINC000359543376 533265261 /nfs/dbraw/zinc/26/52/61/533265261.db2.gz UQJCNHXJKIURCT-CABCVRRESA-N 2 2 299.418 3.290 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCn1cc[nH+]c1)[C@H]2C ZINC000359543376 533265263 /nfs/dbraw/zinc/26/52/63/533265263.db2.gz UQJCNHXJKIURCT-CABCVRRESA-N 2 2 299.418 3.290 20 0 CGADLP CO[C@](C)([C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000411963092 533356423 /nfs/dbraw/zinc/35/64/23/533356423.db2.gz BWQCGVYBPPVGMY-KBXCAEBGSA-N 2 2 299.418 3.166 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867739 288396490 /nfs/dbraw/zinc/39/64/90/288396490.db2.gz WLJWEVIXDGEZPN-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867739 288396491 /nfs/dbraw/zinc/39/64/91/288396491.db2.gz WLJWEVIXDGEZPN-NWDGAFQWSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423271953 533509236 /nfs/dbraw/zinc/50/92/36/533509236.db2.gz HSFOUMPYHHFUSJ-OQPBUACISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000388677731 542605569 /nfs/dbraw/zinc/60/55/69/542605569.db2.gz IEFSOCQOKKAVSB-SYJJWHGVSA-N 2 2 299.418 3.074 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000389245912 542606796 /nfs/dbraw/zinc/60/67/96/542606796.db2.gz AOZMUQZRRUXQTQ-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000389245912 542606801 /nfs/dbraw/zinc/60/68/01/542606801.db2.gz AOZMUQZRRUXQTQ-CHWSQXEVSA-N 2 2 252.427 3.191 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCS[C@H]2C)n1-c1ccccc1 ZINC000381140856 542597342 /nfs/dbraw/zinc/59/73/42/542597342.db2.gz JRAGOXRJNDSKCR-LRDDRELGSA-N 2 2 287.432 3.164 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000191222036 130204043 /nfs/dbraw/zinc/20/40/43/130204043.db2.gz BSRMUCTUACHZFP-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000191222036 130204044 /nfs/dbraw/zinc/20/40/44/130204044.db2.gz BSRMUCTUACHZFP-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CC2)C2CC2)cc1 ZINC000397932368 542619207 /nfs/dbraw/zinc/61/92/07/542619207.db2.gz QGCCHEGVQLTXGH-MRXNPFEDSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414852157 542639262 /nfs/dbraw/zinc/63/92/62/542639262.db2.gz VPLKLFPLKOXJAA-GOSISDBHSA-N 2 2 283.419 3.303 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000361851148 392345736 /nfs/dbraw/zinc/34/57/36/392345736.db2.gz URHMUVZVPROQLG-ARFHVFGLSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000361851148 392345738 /nfs/dbraw/zinc/34/57/38/392345738.db2.gz URHMUVZVPROQLG-ARFHVFGLSA-N 2 2 299.418 3.178 20 0 CGADLP Cc1cc(Nc2cccc(CC[NH+]3CCCC3)c2)nc(C)[nH+]1 ZINC000436438121 542658649 /nfs/dbraw/zinc/65/86/49/542658649.db2.gz ZIUWATVFIKBTNC-UHFFFAOYSA-N 2 2 296.418 3.475 20 0 CGADLP COc1ccc(C[NH2+]CC[NH+]2CCCC2)c2ccccc12 ZINC000109459197 392356710 /nfs/dbraw/zinc/35/67/10/392356710.db2.gz QRYOGCXSYGXKDP-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000113934264 392385931 /nfs/dbraw/zinc/38/59/31/392385931.db2.gz HGRCQZOJPOYLFA-DLBZAZTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccn2)C1 ZINC000113934264 392385937 /nfs/dbraw/zinc/38/59/37/392385937.db2.gz HGRCQZOJPOYLFA-DLBZAZTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000113934264 392385942 /nfs/dbraw/zinc/38/59/42/392385942.db2.gz HGRCQZOJPOYLFA-DLBZAZTESA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000113934264 392385947 /nfs/dbraw/zinc/38/59/47/392385947.db2.gz HGRCQZOJPOYLFA-DLBZAZTESA-N 2 2 287.451 3.168 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000361972950 392378653 /nfs/dbraw/zinc/37/86/53/392378653.db2.gz VDJJYHVVEVBVET-GOEBONIOSA-N 2 2 278.465 3.083 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCc3ccccc32)CCSC1 ZINC000361972160 392379231 /nfs/dbraw/zinc/37/92/31/392379231.db2.gz PLCZSMMSDPAYBC-DLBZAZTESA-N 2 2 290.476 3.091 20 0 CGADLP Cc1ccc2c(C)cc(N3CCn4c[nH+]cc4C3)[nH+]c2c1 ZINC000290783411 392454263 /nfs/dbraw/zinc/45/42/63/392454263.db2.gz WPGNMKLVCKXQRI-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000366942543 392461063 /nfs/dbraw/zinc/46/10/63/392461063.db2.gz FADUMVPZBJFEST-HNNXBMFYSA-N 2 2 283.419 3.330 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000132636607 392461904 /nfs/dbraw/zinc/46/19/04/392461904.db2.gz XHBJVAZZYHPOSP-MDZLAQPJSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000132636607 392461911 /nfs/dbraw/zinc/46/19/11/392461911.db2.gz XHBJVAZZYHPOSP-MDZLAQPJSA-N 2 2 250.411 3.024 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(C)c1F ZINC000154650741 392536998 /nfs/dbraw/zinc/53/69/98/392536998.db2.gz GZYYIECRHKFUHO-HIFRSBDPSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc(C)c1F ZINC000154650741 392537001 /nfs/dbraw/zinc/53/70/01/392537001.db2.gz GZYYIECRHKFUHO-HIFRSBDPSA-N 2 2 264.388 3.187 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000151912613 392489876 /nfs/dbraw/zinc/48/98/76/392489876.db2.gz FVZIPFCGYWQOAC-LLVKDONJSA-N 2 2 290.329 3.188 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C34CCC(CC3)C4)cc2)c[nH+]1 ZINC000371745767 392551387 /nfs/dbraw/zinc/55/13/87/392551387.db2.gz ZEHWQUAHQVECPC-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000302239160 392613731 /nfs/dbraw/zinc/61/37/31/392613731.db2.gz MCECYFCRVNWQMS-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000302239160 392613734 /nfs/dbraw/zinc/61/37/34/392613734.db2.gz MCECYFCRVNWQMS-QGZVFWFLSA-N 2 2 295.430 3.491 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)CCC2 ZINC000156572460 392547684 /nfs/dbraw/zinc/54/76/84/392547684.db2.gz NQKKKVMMMPUNDZ-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)CCC2 ZINC000156572460 392547689 /nfs/dbraw/zinc/54/76/89/392547689.db2.gz NQKKKVMMMPUNDZ-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1Cl ZINC000647553652 392767574 /nfs/dbraw/zinc/76/75/74/392767574.db2.gz GIOZEFXIZFTFLR-OAHLLOKOSA-N 2 2 294.826 3.113 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)c(OC(F)F)cc1C ZINC000647531095 392751964 /nfs/dbraw/zinc/75/19/64/392751964.db2.gz AGMRVYWRWVVMAY-UHFFFAOYSA-N 2 2 298.377 3.218 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000647531675 392754378 /nfs/dbraw/zinc/75/43/78/392754378.db2.gz QSXSXXDXEQXRMB-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000647536817 392755666 /nfs/dbraw/zinc/75/56/66/392755666.db2.gz IMJSUUJGODHELZ-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000647536817 392755671 /nfs/dbraw/zinc/75/56/71/392755671.db2.gz IMJSUUJGODHELZ-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)Cc1ccccc1 ZINC000375300649 392762125 /nfs/dbraw/zinc/76/21/25/392762125.db2.gz BXCXVCSGRIAOEV-HNNXBMFYSA-N 2 2 283.419 3.188 20 0 CGADLP Fc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553457 392765932 /nfs/dbraw/zinc/76/59/32/392765932.db2.gz AGTADLJEGUYYDG-AWEZNQCLSA-N 2 2 282.790 3.243 20 0 CGADLP Clc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553996 392767090 /nfs/dbraw/zinc/76/70/90/392767090.db2.gz OQABGFXDARLELQ-CQSZACIVSA-N 2 2 264.800 3.104 20 0 CGADLP Cc1cccc(C2([NH2+][C@H](C)[C@H]3CCC[NH2+]3)CCC2)c1 ZINC000647802412 392803215 /nfs/dbraw/zinc/80/32/15/392803215.db2.gz KMVNADKFSJKXJZ-GDBMZVCRSA-N 2 2 258.409 3.104 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000510666602 392808852 /nfs/dbraw/zinc/80/88/52/392808852.db2.gz PVYCYPAOBCCWPX-STQMWFEESA-N 2 2 296.405 3.358 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000510666602 392808862 /nfs/dbraw/zinc/80/88/62/392808862.db2.gz PVYCYPAOBCCWPX-STQMWFEESA-N 2 2 296.405 3.358 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510701335 392809993 /nfs/dbraw/zinc/80/99/93/392809993.db2.gz HKPAZRBLWWXROF-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510701335 392809997 /nfs/dbraw/zinc/80/99/97/392809997.db2.gz HKPAZRBLWWXROF-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H]2CCSC2)[nH+]1 ZINC000375737067 392812501 /nfs/dbraw/zinc/81/25/01/392812501.db2.gz WCNZLKHTWJCVPO-CABCVRRESA-N 2 2 291.464 3.019 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H]2CCSC2)[nH+]1 ZINC000375737067 392812507 /nfs/dbraw/zinc/81/25/07/392812507.db2.gz WCNZLKHTWJCVPO-CABCVRRESA-N 2 2 291.464 3.019 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000510991197 392823266 /nfs/dbraw/zinc/82/32/66/392823266.db2.gz HFUWAEIULGASSM-ZDUSSCGKSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1ccc(CCC[NH2+]CC2CCC(F)CC2)c[nH+]1 ZINC000648073665 392905094 /nfs/dbraw/zinc/90/50/94/392905094.db2.gz SEHGEWLRNMFRNO-UHFFFAOYSA-N 2 2 264.388 3.441 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000381522998 392909315 /nfs/dbraw/zinc/90/93/15/392909315.db2.gz NEAVCQSGUGFLGP-GIOUXUJVSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000381522998 392909322 /nfs/dbraw/zinc/90/93/22/392909322.db2.gz NEAVCQSGUGFLGP-GIOUXUJVSA-N 2 2 264.457 3.275 20 0 CGADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336793730 392869488 /nfs/dbraw/zinc/86/94/88/392869488.db2.gz YCDWJKTUBRPDRY-OAHLLOKOSA-N 2 2 250.430 3.175 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337256737 392878193 /nfs/dbraw/zinc/87/81/93/392878193.db2.gz NMDHGXJAEOZOMZ-LFEHRJTNSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337256737 392878201 /nfs/dbraw/zinc/87/82/01/392878201.db2.gz NMDHGXJAEOZOMZ-LFEHRJTNSA-N 2 2 299.462 3.180 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000376536567 392878965 /nfs/dbraw/zinc/87/89/65/392878965.db2.gz WZLGYTZFDUVVFO-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000376536567 392878969 /nfs/dbraw/zinc/87/89/69/392878969.db2.gz WZLGYTZFDUVVFO-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000519701143 392883362 /nfs/dbraw/zinc/88/33/62/392883362.db2.gz ABCKLCSJKXVZTH-NSHDSACASA-N 2 2 275.421 3.301 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000339510759 392956155 /nfs/dbraw/zinc/95/61/55/392956155.db2.gz FXSIMNBELARWSZ-GRZALLJUSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000339510759 392956158 /nfs/dbraw/zinc/95/61/58/392956158.db2.gz FXSIMNBELARWSZ-GRZALLJUSA-N 2 2 270.420 3.005 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@H]1c1ccccc1 ZINC000551306222 542755170 /nfs/dbraw/zinc/75/51/70/542755170.db2.gz HOUJLNVMLDHHHT-TWMKSMIVSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@H]1c1ccccc1 ZINC000551306222 542755174 /nfs/dbraw/zinc/75/51/74/542755174.db2.gz HOUJLNVMLDHHHT-TWMKSMIVSA-N 2 2 276.399 3.302 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC(C)(C)C[C@H]1C ZINC000412032470 392995249 /nfs/dbraw/zinc/99/52/49/392995249.db2.gz CGMTVSZAZSHPKY-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC(C)(C)C[C@H]1C ZINC000412032470 392995250 /nfs/dbraw/zinc/99/52/50/392995250.db2.gz CGMTVSZAZSHPKY-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412032470 392995254 /nfs/dbraw/zinc/99/52/54/392995254.db2.gz CGMTVSZAZSHPKY-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412032470 392995257 /nfs/dbraw/zinc/99/52/57/392995257.db2.gz CGMTVSZAZSHPKY-HUUCEWRRSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)CCO1 ZINC000648416005 393005705 /nfs/dbraw/zinc/00/57/05/393005705.db2.gz DEMVMEATVBBQII-KURKYZTESA-N 2 2 296.499 3.434 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc12 ZINC000221144345 393005894 /nfs/dbraw/zinc/00/58/94/393005894.db2.gz JREZCZKMFAYDCZ-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc12 ZINC000221144345 393005902 /nfs/dbraw/zinc/00/59/02/393005902.db2.gz JREZCZKMFAYDCZ-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000648449100 393022184 /nfs/dbraw/zinc/02/21/84/393022184.db2.gz OAQVZTHGGCYPMX-WMLDXEAASA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000648449100 393022187 /nfs/dbraw/zinc/02/21/87/393022187.db2.gz OAQVZTHGGCYPMX-WMLDXEAASA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000648449098 393022305 /nfs/dbraw/zinc/02/23/05/393022305.db2.gz OAQVZTHGGCYPMX-PBHICJAKSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000648449098 393022312 /nfs/dbraw/zinc/02/23/12/393022312.db2.gz OAQVZTHGGCYPMX-PBHICJAKSA-N 2 2 272.436 3.006 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247942475 393082919 /nfs/dbraw/zinc/08/29/19/393082919.db2.gz GMDMECKVZUNVGK-ULQDDVLXSA-N 2 2 290.451 3.145 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415007289 393091441 /nfs/dbraw/zinc/09/14/41/393091441.db2.gz CMGMVSPDUSQNCK-HUUCEWRRSA-N 2 2 298.430 3.496 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246375530 393057258 /nfs/dbraw/zinc/05/72/58/393057258.db2.gz YYWAKOZWZXQWKR-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246375530 393057263 /nfs/dbraw/zinc/05/72/63/393057263.db2.gz YYWAKOZWZXQWKR-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414954853 393063381 /nfs/dbraw/zinc/06/33/81/393063381.db2.gz NMOCTFMBIVAYTG-SMDDNHRTSA-N 2 2 260.406 3.131 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000546691844 393067462 /nfs/dbraw/zinc/06/74/62/393067462.db2.gz QEWMAOVVJRLWLQ-WCVJEAGWSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000546691844 393067469 /nfs/dbraw/zinc/06/74/69/393067469.db2.gz QEWMAOVVJRLWLQ-WCVJEAGWSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000547333373 393107296 /nfs/dbraw/zinc/10/72/96/393107296.db2.gz GHFSHNPDWBPGNB-MXSMSXNCSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000547333373 393107308 /nfs/dbraw/zinc/10/73/08/393107308.db2.gz GHFSHNPDWBPGNB-MXSMSXNCSA-N 2 2 272.436 3.110 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414965164 393069395 /nfs/dbraw/zinc/06/93/95/393069395.db2.gz ZGDZPLDIMLMKJL-IUODEOHRSA-N 2 2 264.438 3.029 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000415048811 393112371 /nfs/dbraw/zinc/11/23/71/393112371.db2.gz XKIJDZLYMDMOEA-MRXNPFEDSA-N 2 2 288.366 3.316 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)s1 ZINC000415051159 393114772 /nfs/dbraw/zinc/11/47/72/393114772.db2.gz ZPPGNQHNIRYLJA-LBPRGKRZSA-N 2 2 266.454 3.276 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000648589682 393119742 /nfs/dbraw/zinc/11/97/42/393119742.db2.gz CBYCSFHEXWYYMN-NJAFHUGGSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648589682 393119746 /nfs/dbraw/zinc/11/97/46/393119746.db2.gz CBYCSFHEXWYYMN-NJAFHUGGSA-N 2 2 290.451 3.054 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060830 393121481 /nfs/dbraw/zinc/12/14/81/393121481.db2.gz YYEJFJMCJVHKBH-SWLSCSKDSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(F)c1F ZINC000415060830 393121484 /nfs/dbraw/zinc/12/14/84/393121484.db2.gz YYEJFJMCJVHKBH-SWLSCSKDSA-N 2 2 298.352 3.068 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1CCCC1 ZINC000415066856 393126482 /nfs/dbraw/zinc/12/64/82/393126482.db2.gz OLPPVDDCVPBXPE-AWEZNQCLSA-N 2 2 270.779 3.086 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000415070309 393128251 /nfs/dbraw/zinc/12/82/51/393128251.db2.gz UPQFHECYZNOJJY-KURKYZTESA-N 2 2 272.436 3.417 20 0 CGADLP Cc1csc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415090663 393140740 /nfs/dbraw/zinc/14/07/40/393140740.db2.gz ZEKXQVMSHFFCPU-GJZGRUSLSA-N 2 2 287.432 3.034 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000468726409 393158328 /nfs/dbraw/zinc/15/83/28/393158328.db2.gz UYJVYZAXGIONKC-KGLIPLIRSA-N 2 2 299.418 3.446 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c[nH+]c12 ZINC000468726409 393158335 /nfs/dbraw/zinc/15/83/35/393158335.db2.gz UYJVYZAXGIONKC-KGLIPLIRSA-N 2 2 299.418 3.446 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353615186 393226946 /nfs/dbraw/zinc/22/69/46/393226946.db2.gz YOJLBTIOBINHFJ-HIFRSBDPSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353615186 393226950 /nfs/dbraw/zinc/22/69/50/393226950.db2.gz YOJLBTIOBINHFJ-HIFRSBDPSA-N 2 2 285.366 3.073 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000353674819 393229493 /nfs/dbraw/zinc/22/94/93/393229493.db2.gz XUNDREUXKOJUNE-ZFWWWQNUSA-N 2 2 292.386 3.097 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc[nH+]c1C ZINC000274494269 393287058 /nfs/dbraw/zinc/28/70/58/393287058.db2.gz RIWBWLLQLWYDNY-QGZVFWFLSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1CCn1cc[nH+]c1C ZINC000274494269 393287062 /nfs/dbraw/zinc/28/70/62/393287062.db2.gz RIWBWLLQLWYDNY-QGZVFWFLSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211421 393389672 /nfs/dbraw/zinc/38/96/72/393389672.db2.gz QZOGSCNHTNVWBX-GOEBONIOSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@@H](CF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211421 393389676 /nfs/dbraw/zinc/38/96/76/393389676.db2.gz QZOGSCNHTNVWBX-GOEBONIOSA-N 2 2 276.399 3.131 20 0 CGADLP C[N@H+](C[C@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373072 393368844 /nfs/dbraw/zinc/36/88/44/393368844.db2.gz MDUVYTIDTGVKHT-ZDUSSCGKSA-N 2 2 274.399 3.228 20 0 CGADLP C[N@@H+](C[C@H]1CCC(F)(F)C1)C(C)(C)C[NH+]1CCCC1 ZINC000419373072 393368848 /nfs/dbraw/zinc/36/88/48/393368848.db2.gz MDUVYTIDTGVKHT-ZDUSSCGKSA-N 2 2 274.399 3.228 20 0 CGADLP CCCCc1nc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cs1 ZINC000649417145 393416345 /nfs/dbraw/zinc/41/63/45/393416345.db2.gz YXXPWKGDSFIGDS-OCCSQVGLSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cs1 ZINC000649417145 393416349 /nfs/dbraw/zinc/41/63/49/393416349.db2.gz YXXPWKGDSFIGDS-OCCSQVGLSA-N 2 2 281.469 3.045 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2csc(CCC(C)C)n2)CC[C@H]1[NH3+] ZINC000649416639 393416594 /nfs/dbraw/zinc/41/65/94/393416594.db2.gz HBFJJUGROZNJOV-UKRRQHHQSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2csc(CCC(C)C)n2)CC[C@H]1[NH3+] ZINC000649416639 393416599 /nfs/dbraw/zinc/41/65/99/393416599.db2.gz HBFJJUGROZNJOV-UKRRQHHQSA-N 2 2 295.496 3.291 20 0 CGADLP CC1(C2CC2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000356305721 393416773 /nfs/dbraw/zinc/41/67/73/393416773.db2.gz ZZHRHPZOHVANAJ-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000479443776 393432545 /nfs/dbraw/zinc/43/25/45/393432545.db2.gz ZVDRZWFJKCMQBM-LJIGWXMPSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000479443776 393432546 /nfs/dbraw/zinc/43/25/46/393432546.db2.gz ZVDRZWFJKCMQBM-LJIGWXMPSA-N 2 2 262.441 3.194 20 0 CGADLP CC(C)c1nc(N2CCCC[C@H]2C[NH3+])cc(C(C)(C)C)[nH+]1 ZINC000420180084 393433343 /nfs/dbraw/zinc/43/33/43/393433343.db2.gz WNEHXHZLRYZNQY-ZDUSSCGKSA-N 2 2 290.455 3.215 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000356386975 393434244 /nfs/dbraw/zinc/43/42/44/393434244.db2.gz FZYMSBADYXADIU-QZEKMECESA-N 2 2 281.403 3.369 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000356386975 393434246 /nfs/dbraw/zinc/43/42/46/393434246.db2.gz FZYMSBADYXADIU-QZEKMECESA-N 2 2 281.403 3.369 20 0 CGADLP CC[C@H](OCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000649486480 393446311 /nfs/dbraw/zinc/44/63/11/393446311.db2.gz OCZCLSDJJGPKFU-SFHVURJKSA-N 2 2 290.451 3.180 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[C@@H]([NH3+])C3)cc[nH+]c12 ZINC000420273603 393447078 /nfs/dbraw/zinc/44/70/78/393447078.db2.gz DXWCQCUKPNXTRK-QWHCGFSZSA-N 2 2 285.391 3.173 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H]1c1ccccc1 ZINC000487571386 393452586 /nfs/dbraw/zinc/45/25/86/393452586.db2.gz MEQJAPNLOHOJSK-OBNUAKFSSA-N 2 2 293.414 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H]1c1ccccc1 ZINC000487571386 393452594 /nfs/dbraw/zinc/45/25/94/393452594.db2.gz MEQJAPNLOHOJSK-OBNUAKFSSA-N 2 2 293.414 3.130 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427845885 393457678 /nfs/dbraw/zinc/45/76/78/393457678.db2.gz GFIILRDCPMQLGS-CPUCHLNUSA-N 2 2 281.403 3.426 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)c1ccccc1 ZINC000427896038 393459041 /nfs/dbraw/zinc/45/90/41/393459041.db2.gz OOSKFOQSSRVQAZ-HOCLYGCPSA-N 2 2 283.419 3.154 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@H](C[NH3+])C2CCCCC2)n1 ZINC000420357511 393472994 /nfs/dbraw/zinc/47/29/94/393472994.db2.gz DRBLGIGGTKZFBT-CYBMUJFWSA-N 2 2 295.496 3.438 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(F)cc1F ZINC000420367210 393476468 /nfs/dbraw/zinc/47/64/68/393476468.db2.gz MUMJLMBHSCSOEK-JNIYBQFBSA-N 2 2 268.351 3.002 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)o2)cc1 ZINC000420411597 393485032 /nfs/dbraw/zinc/48/50/32/393485032.db2.gz RXEZKUGLRNARCS-ZBFHGGJFSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)o2)cc1 ZINC000420411597 393485037 /nfs/dbraw/zinc/48/50/37/393485037.db2.gz RXEZKUGLRNARCS-ZBFHGGJFSA-N 2 2 299.418 3.067 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488413927 393503502 /nfs/dbraw/zinc/50/35/02/393503502.db2.gz DHBQWWSQRDYQRI-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488413927 393503507 /nfs/dbraw/zinc/50/35/07/393503507.db2.gz DHBQWWSQRDYQRI-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000488445650 393515872 /nfs/dbraw/zinc/51/58/72/393515872.db2.gz RULNVZYWQDTPIK-VGWMRTNUSA-N 2 2 284.513 3.369 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488445650 393515881 /nfs/dbraw/zinc/51/58/81/393515881.db2.gz RULNVZYWQDTPIK-VGWMRTNUSA-N 2 2 284.513 3.369 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)Cc1ccccc1 ZINC000488443611 393515956 /nfs/dbraw/zinc/51/59/56/393515956.db2.gz WBCBGCGZKWGAPA-NJAFHUGGSA-N 2 2 274.452 3.185 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227141 393521208 /nfs/dbraw/zinc/52/12/08/393521208.db2.gz NSTVVCWLGMZZKX-OMNBBPDLSA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000358227141 393521212 /nfs/dbraw/zinc/52/12/12/393521212.db2.gz NSTVVCWLGMZZKX-OMNBBPDLSA-N 2 2 258.409 3.165 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000358308008 393524049 /nfs/dbraw/zinc/52/40/49/393524049.db2.gz XOXNSEOBOKYEHL-UXLLHSPISA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000358308008 393524051 /nfs/dbraw/zinc/52/40/51/393524051.db2.gz XOXNSEOBOKYEHL-UXLLHSPISA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC12CCCC2 ZINC000649658636 393529246 /nfs/dbraw/zinc/52/92/46/393529246.db2.gz RVGXOXRMZQTZJJ-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC12CCCC2 ZINC000649658636 393529250 /nfs/dbraw/zinc/52/92/50/393529250.db2.gz RVGXOXRMZQTZJJ-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC12CCCC2 ZINC000649658636 393529255 /nfs/dbraw/zinc/52/92/55/393529255.db2.gz RVGXOXRMZQTZJJ-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC12CCCC2 ZINC000649658636 393529258 /nfs/dbraw/zinc/52/92/58/393529258.db2.gz RVGXOXRMZQTZJJ-HNNXBMFYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000430558738 393575372 /nfs/dbraw/zinc/57/53/72/393575372.db2.gz RHDZQSIPGNFCTD-INIZCTEOSA-N 2 2 291.826 3.351 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430566563 393576642 /nfs/dbraw/zinc/57/66/42/393576642.db2.gz CKGHAQKAQCZKTP-QAPCUYQASA-N 2 2 294.483 3.046 20 0 CGADLP Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000666812422 542817872 /nfs/dbraw/zinc/81/78/72/542817872.db2.gz OBLZVMUZUKURSX-CQSZACIVSA-N 2 2 290.794 3.442 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430590872 393580836 /nfs/dbraw/zinc/58/08/36/393580836.db2.gz MCQGLADATVECNO-KGLIPLIRSA-N 2 2 296.867 3.258 20 0 CGADLP Clc1ccc(SCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430590872 393580842 /nfs/dbraw/zinc/58/08/42/393580842.db2.gz MCQGLADATVECNO-KGLIPLIRSA-N 2 2 296.867 3.258 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632339 393582006 /nfs/dbraw/zinc/58/20/06/393582006.db2.gz YDIWVHPAVIHLNZ-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632339 393582012 /nfs/dbraw/zinc/58/20/12/393582012.db2.gz YDIWVHPAVIHLNZ-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000489825829 393616111 /nfs/dbraw/zinc/61/61/11/393616111.db2.gz HOWFXZVKDARKMB-VSVYTNTFSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000489825829 393616119 /nfs/dbraw/zinc/61/61/19/393616119.db2.gz HOWFXZVKDARKMB-VSVYTNTFSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCCF)C1 ZINC000361003981 393636725 /nfs/dbraw/zinc/63/67/25/393636725.db2.gz PVWCZNODNRFOQU-GOEBONIOSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCCF)C1 ZINC000361003981 393636727 /nfs/dbraw/zinc/63/67/27/393636727.db2.gz PVWCZNODNRFOQU-GOEBONIOSA-N 2 2 264.388 3.161 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000423234938 393655914 /nfs/dbraw/zinc/65/59/14/393655914.db2.gz MRBOGIJLKPHCHW-UKRRQHHQSA-N 2 2 276.449 3.182 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1F ZINC000361068474 393664939 /nfs/dbraw/zinc/66/49/39/393664939.db2.gz LNNIMLSDTBHLDI-ZFWWWQNUSA-N 2 2 276.399 3.330 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc(C)c1F ZINC000361068474 393664942 /nfs/dbraw/zinc/66/49/42/393664942.db2.gz LNNIMLSDTBHLDI-ZFWWWQNUSA-N 2 2 276.399 3.330 20 0 CGADLP Cc1ccncc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361089025 393670187 /nfs/dbraw/zinc/67/01/87/393670187.db2.gz TUTFLUIMKXXLBE-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423542387 393673216 /nfs/dbraw/zinc/67/32/16/393673216.db2.gz AUVJOILJFSEGLI-WCQYABFASA-N 2 2 264.438 3.030 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000666948190 542828497 /nfs/dbraw/zinc/82/84/97/542828497.db2.gz UREOXHCMZMMMSZ-VGWMRTNUSA-N 2 2 296.817 3.266 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]C[C@H]3CCCOC3)cc2)c1C ZINC000361237615 393710348 /nfs/dbraw/zinc/71/03/48/393710348.db2.gz LKLHMCQSMASASS-OAHLLOKOSA-N 2 2 285.391 3.328 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000499707106 393803637 /nfs/dbraw/zinc/80/36/37/393803637.db2.gz PVOLMEWAPCYNEX-ZVOPMHIBSA-N 2 2 284.447 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000499707106 393803640 /nfs/dbraw/zinc/80/36/40/393803640.db2.gz PVOLMEWAPCYNEX-ZVOPMHIBSA-N 2 2 284.447 3.322 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000445820395 393829047 /nfs/dbraw/zinc/82/90/47/393829047.db2.gz USECWUGNSOUXGJ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000445820395 393829051 /nfs/dbraw/zinc/82/90/51/393829051.db2.gz USECWUGNSOUXGJ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(F)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000445820395 393829053 /nfs/dbraw/zinc/82/90/53/393829053.db2.gz USECWUGNSOUXGJ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(F)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000445820395 393829057 /nfs/dbraw/zinc/82/90/57/393829057.db2.gz USECWUGNSOUXGJ-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(F)c1 ZINC000446938804 393863752 /nfs/dbraw/zinc/86/37/52/393863752.db2.gz KBZQYOTYGAHPGW-CVEARBPZSA-N 2 2 296.455 3.304 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000666996926 542834015 /nfs/dbraw/zinc/83/40/15/542834015.db2.gz MDGIADGYRLJZNN-ZDUSSCGKSA-N 2 2 282.790 3.243 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453115769 394176917 /nfs/dbraw/zinc/17/69/17/394176917.db2.gz SPVDYVJBTJKZTB-SJLPKXTDSA-N 2 2 289.467 3.257 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453115769 394176919 /nfs/dbraw/zinc/17/69/19/394176919.db2.gz SPVDYVJBTJKZTB-SJLPKXTDSA-N 2 2 289.467 3.257 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cs1 ZINC000453125683 394180085 /nfs/dbraw/zinc/18/00/85/394180085.db2.gz JSDKLLHERKJIJR-JKOKRWQUSA-N 2 2 264.438 3.332 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cs1 ZINC000453125683 394180087 /nfs/dbraw/zinc/18/00/87/394180087.db2.gz JSDKLLHERKJIJR-JKOKRWQUSA-N 2 2 264.438 3.332 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000453059288 394156541 /nfs/dbraw/zinc/15/65/41/394156541.db2.gz MLSZIXHTVKSRKA-IAGOWNOFSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000453059288 394156543 /nfs/dbraw/zinc/15/65/43/394156543.db2.gz MLSZIXHTVKSRKA-IAGOWNOFSA-N 2 2 289.467 3.114 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H](C2CC2)C2CCC2)[nH+]c1 ZINC000453096954 394169780 /nfs/dbraw/zinc/16/97/80/394169780.db2.gz SLIPZLHVZOWEBL-KRWDZBQOSA-N 2 2 273.424 3.442 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC000453101486 394171729 /nfs/dbraw/zinc/17/17/29/394171729.db2.gz YHAJKEFIFMUUCP-ZBFHGGJFSA-N 2 2 296.480 3.064 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)c1cccnc1 ZINC000453397932 394232903 /nfs/dbraw/zinc/23/29/03/394232903.db2.gz MCYRPYGEUQUQLS-MRXNPFEDSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)c1cccnc1 ZINC000453397932 394232904 /nfs/dbraw/zinc/23/29/04/394232904.db2.gz MCYRPYGEUQUQLS-MRXNPFEDSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000453627230 394263000 /nfs/dbraw/zinc/26/30/00/394263000.db2.gz VJPYKJJZLAFNIZ-GFCCVEGCSA-N 2 2 268.832 3.373 20 0 CGADLP CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667563940 542890558 /nfs/dbraw/zinc/89/05/58/542890558.db2.gz WJZIDDOPHNOPKN-CYBMUJFWSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)(C)C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667563940 542890560 /nfs/dbraw/zinc/89/05/60/542890560.db2.gz WJZIDDOPHNOPKN-CYBMUJFWSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]2CCCC[C@@H]12 ZINC000667531887 542884007 /nfs/dbraw/zinc/88/40/07/542884007.db2.gz UKDAKJIUBVDZMN-VNQPRFMTSA-N 2 2 273.424 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]2CCCC[C@@H]12 ZINC000667531887 542884009 /nfs/dbraw/zinc/88/40/09/542884009.db2.gz UKDAKJIUBVDZMN-VNQPRFMTSA-N 2 2 273.424 3.230 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533353 542885636 /nfs/dbraw/zinc/88/56/36/542885636.db2.gz OOQWHMUIYIEMSU-MRXNPFEDSA-N 2 2 299.418 3.496 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533353 542885639 /nfs/dbraw/zinc/88/56/39/542885639.db2.gz OOQWHMUIYIEMSU-MRXNPFEDSA-N 2 2 299.418 3.496 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667641540 542902487 /nfs/dbraw/zinc/90/24/87/542902487.db2.gz WXRGRYRMXFOKDJ-KRWDZBQOSA-N 2 2 281.403 3.339 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667641540 542902489 /nfs/dbraw/zinc/90/24/89/542902489.db2.gz WXRGRYRMXFOKDJ-KRWDZBQOSA-N 2 2 281.403 3.339 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)n1C ZINC000667656763 542908606 /nfs/dbraw/zinc/90/86/06/542908606.db2.gz QRWYCWZVUWMTRX-AWEZNQCLSA-N 2 2 271.408 3.100 20 0 CGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667672530 542913932 /nfs/dbraw/zinc/91/39/32/542913932.db2.gz VURFMCRTCKBUMM-RHSMWYFYSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H](c2ccco2)C1 ZINC000667683049 542915995 /nfs/dbraw/zinc/91/59/95/542915995.db2.gz CZXCUGLKXMUHPW-HIFRSBDPSA-N 2 2 285.391 3.396 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H](c2ccco2)C1 ZINC000667683049 542915997 /nfs/dbraw/zinc/91/59/97/542915997.db2.gz CZXCUGLKXMUHPW-HIFRSBDPSA-N 2 2 285.391 3.396 20 0 CGADLP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000667879193 542941144 /nfs/dbraw/zinc/94/11/44/542941144.db2.gz LCLCBRLXJCPBFT-XCRHUMRWSA-N 2 2 297.402 3.090 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+](C)CC1C[NH+](C)C1 ZINC000668539649 543025235 /nfs/dbraw/zinc/02/52/35/543025235.db2.gz GIMIADXPLNBHRY-HNNXBMFYSA-N 2 2 252.446 3.252 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539649 543025237 /nfs/dbraw/zinc/02/52/37/543025237.db2.gz GIMIADXPLNBHRY-HNNXBMFYSA-N 2 2 252.446 3.252 20 0 CGADLP Fc1ccccc1C[N@@H+](Cc1c[nH+]c2n1CCC2)CC1CC1 ZINC000668613234 543036035 /nfs/dbraw/zinc/03/60/35/543036035.db2.gz NRIXAXFHWKRSHY-UHFFFAOYSA-N 2 2 299.393 3.381 20 0 CGADLP Fc1ccccc1C[N@H+](Cc1c[nH+]c2n1CCC2)CC1CC1 ZINC000668613234 543036037 /nfs/dbraw/zinc/03/60/37/543036037.db2.gz NRIXAXFHWKRSHY-UHFFFAOYSA-N 2 2 299.393 3.381 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683343 543044651 /nfs/dbraw/zinc/04/46/51/543044651.db2.gz VLCRYCSCCLYVJK-WBMJQRKESA-N 2 2 282.378 3.142 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683343 543044653 /nfs/dbraw/zinc/04/46/53/543044653.db2.gz VLCRYCSCCLYVJK-WBMJQRKESA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000671296225 543166411 /nfs/dbraw/zinc/16/64/11/543166411.db2.gz MZECUJLGYDGHBN-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671296225 543166414 /nfs/dbraw/zinc/16/64/14/543166414.db2.gz MZECUJLGYDGHBN-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCNc3ccccc31)CCCC2 ZINC000671302845 543168432 /nfs/dbraw/zinc/16/84/32/543168432.db2.gz CVVJEXNGVJJKOX-QGZVFWFLSA-N 2 2 296.418 3.256 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302918 543168868 /nfs/dbraw/zinc/16/88/68/543168868.db2.gz PRIBODVUWSFFOQ-CYBMUJFWSA-N 2 2 289.448 3.392 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000484516490 292110660 /nfs/dbraw/zinc/11/06/60/292110660.db2.gz CRPJTWMENJSRCJ-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000484516490 292110661 /nfs/dbraw/zinc/11/06/61/292110661.db2.gz CRPJTWMENJSRCJ-UIAACRFSSA-N 2 2 298.474 3.388 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048616 543264840 /nfs/dbraw/zinc/26/48/40/543264840.db2.gz YJYYUULXONVAGS-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048616 543264843 /nfs/dbraw/zinc/26/48/43/543264843.db2.gz YJYYUULXONVAGS-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CCCCC1 ZINC000359740681 292121503 /nfs/dbraw/zinc/12/15/03/292121503.db2.gz BATQCEQPJRDKDD-MRXNPFEDSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000301472965 397674256 /nfs/dbraw/zinc/67/42/56/397674256.db2.gz UTIJOOXZLUTIFW-HNNXBMFYSA-N 2 2 290.455 3.219 20 0 CGADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000301472965 397674260 /nfs/dbraw/zinc/67/42/60/397674260.db2.gz UTIJOOXZLUTIFW-HNNXBMFYSA-N 2 2 290.455 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352902475 397686247 /nfs/dbraw/zinc/68/62/47/397686247.db2.gz SEYJIFRFJGMBHR-RRQGHBQHSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352902475 397686249 /nfs/dbraw/zinc/68/62/49/397686249.db2.gz SEYJIFRFJGMBHR-RRQGHBQHSA-N 2 2 258.409 3.210 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000390911232 397693013 /nfs/dbraw/zinc/69/30/13/397693013.db2.gz YBSNDNNLLXUSKB-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000390911232 397693016 /nfs/dbraw/zinc/69/30/16/397693016.db2.gz YBSNDNNLLXUSKB-UONOGXRCSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC2CCC1CC2 ZINC000394317973 397695219 /nfs/dbraw/zinc/69/52/19/397695219.db2.gz DYYGWQAYSHGINF-URGYJCLVSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000650710106 397898207 /nfs/dbraw/zinc/89/82/07/397898207.db2.gz DUQHWAGZGQWGEP-MRXNPFEDSA-N 2 2 299.418 3.337 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1SC ZINC000675765636 543361948 /nfs/dbraw/zinc/36/19/48/543361948.db2.gz CLKOONPAFBHEMJ-JSGCOSHPSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000675765636 543361950 /nfs/dbraw/zinc/36/19/50/543361950.db2.gz CLKOONPAFBHEMJ-JSGCOSHPSA-N 2 2 294.464 3.162 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766615 543362079 /nfs/dbraw/zinc/36/20/79/543362079.db2.gz MJMHZUSOLIIFGS-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766615 543362081 /nfs/dbraw/zinc/36/20/81/543362081.db2.gz MJMHZUSOLIIFGS-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766930 543362624 /nfs/dbraw/zinc/36/26/24/543362624.db2.gz QUUDHPDUPIMHCA-ZBFHGGJFSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766930 543362626 /nfs/dbraw/zinc/36/26/26/543362626.db2.gz QUUDHPDUPIMHCA-ZBFHGGJFSA-N 2 2 286.419 3.117 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767258 543362715 /nfs/dbraw/zinc/36/27/15/543362715.db2.gz RZVIPVCYINIPAI-IAGOWNOFSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767258 543362717 /nfs/dbraw/zinc/36/27/17/543362717.db2.gz RZVIPVCYINIPAI-IAGOWNOFSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744416 543359800 /nfs/dbraw/zinc/35/98/00/543359800.db2.gz VWZSTDGRUPYPBN-PBHICJAKSA-N 2 2 272.436 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000675744416 543359803 /nfs/dbraw/zinc/35/98/03/543359803.db2.gz VWZSTDGRUPYPBN-PBHICJAKSA-N 2 2 272.436 3.037 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000675743055 543360182 /nfs/dbraw/zinc/36/01/82/543360182.db2.gz DEYOJEIAQOEMDE-IRXDYDNUSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675833372 543368618 /nfs/dbraw/zinc/36/86/18/543368618.db2.gz MSYSCUKLTOHDEG-QAPCUYQASA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675833372 543368620 /nfs/dbraw/zinc/36/86/20/543368620.db2.gz MSYSCUKLTOHDEG-QAPCUYQASA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675834474 543368785 /nfs/dbraw/zinc/36/87/85/543368785.db2.gz UUCBUHUBLHOZIO-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000675834474 543368787 /nfs/dbraw/zinc/36/87/87/543368787.db2.gz UUCBUHUBLHOZIO-DOTOQJQBSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000675833236 543368980 /nfs/dbraw/zinc/36/89/80/543368980.db2.gz HZTXUMKEYNHIFB-QAPCUYQASA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000675833236 543368983 /nfs/dbraw/zinc/36/89/83/543368983.db2.gz HZTXUMKEYNHIFB-QAPCUYQASA-N 2 2 272.436 3.438 20 0 CGADLP CCC(CC)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919229 543373775 /nfs/dbraw/zinc/37/37/75/543373775.db2.gz LMMAPBGYQIDVFM-INIZCTEOSA-N 2 2 271.408 3.482 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000677129988 543434660 /nfs/dbraw/zinc/43/46/60/543434660.db2.gz QXJADBOFUOWKNP-IKGGRYGDSA-N 2 2 292.373 3.169 20 0 CGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000677129988 543434664 /nfs/dbraw/zinc/43/46/64/543434664.db2.gz QXJADBOFUOWKNP-IKGGRYGDSA-N 2 2 292.373 3.169 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@H]1CCC[N@H+]1C)CC3 ZINC000678079657 543482267 /nfs/dbraw/zinc/48/22/67/543482267.db2.gz VHNDKCGTDMQMSE-OAHLLOKOSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC3 ZINC000678079657 543482269 /nfs/dbraw/zinc/48/22/69/543482269.db2.gz VHNDKCGTDMQMSE-OAHLLOKOSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@H]1CCC[NH+]1C)CC3 ZINC000678079657 543482270 /nfs/dbraw/zinc/48/22/70/543482270.db2.gz VHNDKCGTDMQMSE-OAHLLOKOSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC3 ZINC000678079657 543482272 /nfs/dbraw/zinc/48/22/72/543482272.db2.gz VHNDKCGTDMQMSE-OAHLLOKOSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235452 543498709 /nfs/dbraw/zinc/49/87/09/543498709.db2.gz UHDLSTHNLBGBOD-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000678235452 543498712 /nfs/dbraw/zinc/49/87/12/543498712.db2.gz UHDLSTHNLBGBOD-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)[nH+]1 ZINC000678267849 543505878 /nfs/dbraw/zinc/50/58/78/543505878.db2.gz XCZRQALZCCYAQU-HNNXBMFYSA-N 2 2 297.402 3.155 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)n1 ZINC000678415446 543522610 /nfs/dbraw/zinc/52/26/10/543522610.db2.gz ZJNLUGJCCKYUNZ-CQSZACIVSA-N 2 2 272.396 3.026 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678768204 543555209 /nfs/dbraw/zinc/55/52/09/543555209.db2.gz HGLDUQFYSRZFIO-VKJFTORMSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678768204 543555213 /nfs/dbraw/zinc/55/52/13/543555213.db2.gz HGLDUQFYSRZFIO-VKJFTORMSA-N 2 2 272.436 3.241 20 0 CGADLP Fc1c[nH+]ccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000678787601 543558640 /nfs/dbraw/zinc/55/86/40/543558640.db2.gz UHDNOAIUGWCXGL-OAHLLOKOSA-N 2 2 291.414 3.313 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)cc1F ZINC000678795952 543559186 /nfs/dbraw/zinc/55/91/86/543559186.db2.gz LLNHRAVQACVBNN-INIZCTEOSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955887 543577513 /nfs/dbraw/zinc/57/75/13/543577513.db2.gz FHPNMGWFAFYGNP-GUYCJALGSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000678955887 543577515 /nfs/dbraw/zinc/57/75/15/543577515.db2.gz FHPNMGWFAFYGNP-GUYCJALGSA-N 2 2 276.399 3.003 20 0 CGADLP COc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000091264039 286510203 /nfs/dbraw/zinc/51/02/03/286510203.db2.gz UQTFTIUTINUYAW-SFHVURJKSA-N 2 2 299.418 3.413 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000679015652 543583182 /nfs/dbraw/zinc/58/31/82/543583182.db2.gz ITUAEPZCVBIPIE-XJKSGUPXSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@H+]1C1CC1 ZINC000679015652 543583184 /nfs/dbraw/zinc/58/31/84/543583184.db2.gz ITUAEPZCVBIPIE-XJKSGUPXSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H](CC1CCCC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560267959 289581229 /nfs/dbraw/zinc/58/12/29/289581229.db2.gz PFLVWEFYTGZBFC-CYBMUJFWSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000173352108 287038397 /nfs/dbraw/zinc/03/83/97/287038397.db2.gz DQSRRKCDMSFVSR-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000173352108 287038400 /nfs/dbraw/zinc/03/84/00/287038400.db2.gz DQSRRKCDMSFVSR-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CCOCC1 ZINC000423393496 287064364 /nfs/dbraw/zinc/06/43/64/287064364.db2.gz MJEUKKIRRHZXSG-AUUYWEPGSA-N 2 2 298.430 3.244 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000072857935 165075764 /nfs/dbraw/zinc/07/57/64/165075764.db2.gz XNCKDPSMKFMKJJ-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(F)F)C1 ZINC000072857935 165075765 /nfs/dbraw/zinc/07/57/65/165075765.db2.gz XNCKDPSMKFMKJJ-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000072857935 165075767 /nfs/dbraw/zinc/07/57/67/165075767.db2.gz XNCKDPSMKFMKJJ-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000072857935 165075768 /nfs/dbraw/zinc/07/57/68/165075768.db2.gz XNCKDPSMKFMKJJ-ZDUSSCGKSA-N 2 2 298.377 3.062 20 0 CGADLP C[C@@H](CNc1[nH+]c2ccccc2n1C)C[NH+]1CCCCC1 ZINC000079044938 165143692 /nfs/dbraw/zinc/14/36/92/165143692.db2.gz ZDUXXQYOTLVZLH-AWEZNQCLSA-N 2 2 286.423 3.107 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761815 165190515 /nfs/dbraw/zinc/19/05/15/165190515.db2.gz RPWIHZBASFGDKA-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761815 165190519 /nfs/dbraw/zinc/19/05/19/165190519.db2.gz RPWIHZBASFGDKA-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000091961101 165276779 /nfs/dbraw/zinc/27/67/79/165276779.db2.gz YNCONFKWWCUXIP-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000091961101 165276784 /nfs/dbraw/zinc/27/67/84/165276784.db2.gz YNCONFKWWCUXIP-KSSFIOAISA-N 2 2 294.402 3.448 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(C2CC2)s1 ZINC000093660187 287118038 /nfs/dbraw/zinc/11/80/38/287118038.db2.gz DFOIWIULJJPBIH-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(C2CC2)s1 ZINC000093660187 287118039 /nfs/dbraw/zinc/11/80/39/287118039.db2.gz DFOIWIULJJPBIH-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(C2CC2)s1 ZINC000093660187 287118040 /nfs/dbraw/zinc/11/80/40/287118040.db2.gz DFOIWIULJJPBIH-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(C2CC2)s1 ZINC000093660187 287118042 /nfs/dbraw/zinc/11/80/42/287118042.db2.gz DFOIWIULJJPBIH-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357587 287134963 /nfs/dbraw/zinc/13/49/63/287134963.db2.gz DNIXJWUDQWEDRH-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357587 287134965 /nfs/dbraw/zinc/13/49/65/287134965.db2.gz DNIXJWUDQWEDRH-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1CC1 ZINC000118992196 287163455 /nfs/dbraw/zinc/16/34/55/287163455.db2.gz UFLRECKCACAYBJ-IAGOWNOFSA-N 2 2 260.425 3.376 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nccs1 ZINC000119092776 287164836 /nfs/dbraw/zinc/16/48/36/287164836.db2.gz NDOQHOMTKSSQJK-CYBMUJFWSA-N 2 2 267.442 3.060 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000020123990 171005787 /nfs/dbraw/zinc/00/57/87/171005787.db2.gz OSSINNXFHRKPCM-LBPRGKRZSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000020126867 171012125 /nfs/dbraw/zinc/01/21/25/171012125.db2.gz QTEMRLLOPVDXLQ-LBPRGKRZSA-N 2 2 286.341 3.452 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128740 171015992 /nfs/dbraw/zinc/01/59/92/171015992.db2.gz PYALZBIPQQHZGW-ZBFHGGJFSA-N 2 2 276.424 3.369 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000020189025 171054382 /nfs/dbraw/zinc/05/43/82/171054382.db2.gz ZCQHOVHRVQXSJW-BBRMVZONSA-N 2 2 276.424 3.365 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000020189031 171054734 /nfs/dbraw/zinc/05/47/34/171054734.db2.gz ZCQHOVHRVQXSJW-CJNGLKHVSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000035286381 172104184 /nfs/dbraw/zinc/10/41/84/172104184.db2.gz XRNGLIYGGJZRHC-SNVBAGLBSA-N 2 2 269.801 3.339 20 0 CGADLP C[N@H+](Cc1sccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554977 196325128 /nfs/dbraw/zinc/32/51/28/196325128.db2.gz RCGRTYZGCOONAD-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[N@@H+](Cc1sccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554977 196325130 /nfs/dbraw/zinc/32/51/30/196325130.db2.gz RCGRTYZGCOONAD-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1sccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285554977 196325131 /nfs/dbraw/zinc/32/51/31/196325131.db2.gz RCGRTYZGCOONAD-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1sccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285554977 196325133 /nfs/dbraw/zinc/32/51/33/196325133.db2.gz RCGRTYZGCOONAD-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[C@H](c1ccccn1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285628098 196349080 /nfs/dbraw/zinc/34/90/80/196349080.db2.gz LEMTUOVBHKHJOX-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1ccccn1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285628098 196349081 /nfs/dbraw/zinc/34/90/81/196349081.db2.gz LEMTUOVBHKHJOX-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285628098 196349083 /nfs/dbraw/zinc/34/90/83/196349083.db2.gz LEMTUOVBHKHJOX-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285628098 196349085 /nfs/dbraw/zinc/34/90/85/196349085.db2.gz LEMTUOVBHKHJOX-OAHLLOKOSA-N 2 2 287.407 3.190 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631837 196349516 /nfs/dbraw/zinc/34/95/16/196349516.db2.gz AGYKNDCCYUKOPH-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631837 196349517 /nfs/dbraw/zinc/34/95/17/196349517.db2.gz AGYKNDCCYUKOPH-WBMJQRKESA-N 2 2 270.376 3.005 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157598 172992506 /nfs/dbraw/zinc/99/25/06/172992506.db2.gz SJLXAZFIXKFVDH-KBPBESRZSA-N 2 2 257.381 3.185 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(c2ccccc2)CC1)[NH+](C)C ZINC000038088996 174102492 /nfs/dbraw/zinc/10/24/92/174102492.db2.gz ZINYATICYYVXPS-OOHWJJMZSA-N 2 2 260.425 3.253 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000038098026 174112112 /nfs/dbraw/zinc/11/21/12/174112112.db2.gz UAUFBTZHQIVBGW-LBPRGKRZSA-N 2 2 250.386 3.031 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127542049 287289865 /nfs/dbraw/zinc/28/98/65/287289865.db2.gz NEWCLZHAGBMONI-CJNGLKHVSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127542049 287289868 /nfs/dbraw/zinc/28/98/68/287289868.db2.gz NEWCLZHAGBMONI-CJNGLKHVSA-N 2 2 264.388 3.003 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000040592220 174347930 /nfs/dbraw/zinc/34/79/30/174347930.db2.gz HCVNIDXUYFCBJC-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000040592220 174347931 /nfs/dbraw/zinc/34/79/31/174347931.db2.gz HCVNIDXUYFCBJC-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000071142095 176039872 /nfs/dbraw/zinc/03/98/72/176039872.db2.gz KRIZSDVERPUBKF-NSHDSACASA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000071142095 176039873 /nfs/dbraw/zinc/03/98/73/176039873.db2.gz KRIZSDVERPUBKF-NSHDSACASA-N 2 2 273.207 3.035 20 0 CGADLP CC[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071312067 176118859 /nfs/dbraw/zinc/11/88/59/176118859.db2.gz ZPYXXZMDQURSMZ-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071312067 176118860 /nfs/dbraw/zinc/11/88/60/176118860.db2.gz ZPYXXZMDQURSMZ-MRXNPFEDSA-N 2 2 260.425 3.168 20 0 CGADLP CCCC1CCC([N@H+](CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000071314457 176121188 /nfs/dbraw/zinc/12/11/88/176121188.db2.gz DTKMPYARRLQCHX-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([N@@H+](CCC)[C@H]2CC[NH2+]C2)CC1 ZINC000071314457 176121190 /nfs/dbraw/zinc/12/11/90/176121190.db2.gz DTKMPYARRLQCHX-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@@H+]1C1CC1 ZINC000128873972 287319983 /nfs/dbraw/zinc/31/99/83/287319983.db2.gz FOBLLZSWFPNYEU-XVSSEFHLSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C[N@H+]1C1CC1 ZINC000128873972 287319986 /nfs/dbraw/zinc/31/99/86/287319986.db2.gz FOBLLZSWFPNYEU-XVSSEFHLSA-N 2 2 290.373 3.322 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190121 416487244 /nfs/dbraw/zinc/48/72/44/416487244.db2.gz OKCMJUNWFIRTJZ-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190121 416487246 /nfs/dbraw/zinc/48/72/46/416487246.db2.gz OKCMJUNWFIRTJZ-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000404365334 416552370 /nfs/dbraw/zinc/55/23/70/416552370.db2.gz PCWLZQVTFJVOFU-TZMCWYRMSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000404365334 416552375 /nfs/dbraw/zinc/55/23/75/416552375.db2.gz PCWLZQVTFJVOFU-TZMCWYRMSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404365332 416553005 /nfs/dbraw/zinc/55/30/05/416553005.db2.gz PCWLZQVTFJVOFU-OCCSQVGLSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404365332 416553007 /nfs/dbraw/zinc/55/30/07/416553007.db2.gz PCWLZQVTFJVOFU-OCCSQVGLSA-N 2 2 281.469 3.216 20 0 CGADLP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCc2ccccc21 ZINC000404704136 416557296 /nfs/dbraw/zinc/55/72/96/416557296.db2.gz HQBDWTPOMLARLF-CQSZACIVSA-N 2 2 260.425 3.036 20 0 CGADLP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCc2ccccc21 ZINC000404704136 416557301 /nfs/dbraw/zinc/55/73/01/416557301.db2.gz HQBDWTPOMLARLF-CQSZACIVSA-N 2 2 260.425 3.036 20 0 CGADLP Clc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000679438807 543637119 /nfs/dbraw/zinc/63/71/19/543637119.db2.gz IUJNUYSKCKPUHH-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCCCC1 ZINC000679332486 543620746 /nfs/dbraw/zinc/62/07/46/543620746.db2.gz WBJAPHUTRXRDDI-IRXDYDNUSA-N 2 2 284.488 3.028 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3[C@H]4C=CC[C@@H]3CC4)c2)c[nH+]1 ZINC000680329149 543697518 /nfs/dbraw/zinc/69/75/18/543697518.db2.gz PHBWQAVXPZECKH-QWHCGFSZSA-N 2 2 271.389 3.227 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000681973617 543813227 /nfs/dbraw/zinc/81/32/27/543813227.db2.gz YSRPIIRIEYSZFF-BZSNNMDCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000681973617 543813230 /nfs/dbraw/zinc/81/32/30/543813230.db2.gz YSRPIIRIEYSZFF-BZSNNMDCSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681743457 543805472 /nfs/dbraw/zinc/80/54/72/543805472.db2.gz NKCHELYUXNUTHI-SIIHOXLZSA-N 2 2 281.403 3.111 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154183 543830420 /nfs/dbraw/zinc/83/04/20/543830420.db2.gz YNZFYQGEQXOQDV-RHSMWYFYSA-N 2 2 287.382 3.463 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154183 543830422 /nfs/dbraw/zinc/83/04/22/543830422.db2.gz YNZFYQGEQXOQDV-RHSMWYFYSA-N 2 2 287.382 3.463 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734151 543863488 /nfs/dbraw/zinc/86/34/88/543863488.db2.gz YSEUIBNMJBFQKA-QWHCGFSZSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC(F)(F)CC1 ZINC000682734151 543863490 /nfs/dbraw/zinc/86/34/90/543863490.db2.gz YSEUIBNMJBFQKA-QWHCGFSZSA-N 2 2 274.399 3.132 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682997293 543885903 /nfs/dbraw/zinc/88/59/03/543885903.db2.gz KAJUSLVCYGUCOY-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682997293 543885905 /nfs/dbraw/zinc/88/59/05/543885905.db2.gz KAJUSLVCYGUCOY-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000683690201 543931559 /nfs/dbraw/zinc/93/15/59/543931559.db2.gz ZBPIHYMJTNELJZ-KFWWJZLASA-N 2 2 294.439 3.046 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000683690202 543931861 /nfs/dbraw/zinc/93/18/61/543931861.db2.gz ZBPIHYMJTNELJZ-KKUMJFAQSA-N 2 2 294.439 3.046 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000684114342 543968396 /nfs/dbraw/zinc/96/83/96/543968396.db2.gz YYPNQYKOXANVPU-DZGCQCFKSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000684114342 543968399 /nfs/dbraw/zinc/96/83/99/543968399.db2.gz YYPNQYKOXANVPU-DZGCQCFKSA-N 2 2 280.481 3.389 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)[nH+]1 ZINC000684021819 543960779 /nfs/dbraw/zinc/96/07/79/543960779.db2.gz VLXYAVAFGBGROM-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684379826 543988987 /nfs/dbraw/zinc/98/89/87/543988987.db2.gz NCUHYPVEJKMSBY-GFCCVEGCSA-N 2 2 273.380 3.278 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000684383165 543990312 /nfs/dbraw/zinc/99/03/12/543990312.db2.gz TTZPOJZUWFQSNX-QGPMSJSTSA-N 2 2 299.418 3.481 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000685463050 544075515 /nfs/dbraw/zinc/07/55/15/544075515.db2.gz JMDMZMSUMFACEH-INIZCTEOSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000685463050 544075519 /nfs/dbraw/zinc/07/55/19/544075519.db2.gz JMDMZMSUMFACEH-INIZCTEOSA-N 2 2 281.403 3.287 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629510 544090862 /nfs/dbraw/zinc/09/08/62/544090862.db2.gz WHJYSZSMSYTYRL-HNNXBMFYSA-N 2 2 269.392 3.009 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000685629510 544090864 /nfs/dbraw/zinc/09/08/64/544090864.db2.gz WHJYSZSMSYTYRL-HNNXBMFYSA-N 2 2 269.392 3.009 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417916170 227165109 /nfs/dbraw/zinc/16/51/09/227165109.db2.gz UOBCJSVCSCFWGC-LNLFQRSKSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417916170 227165114 /nfs/dbraw/zinc/16/51/14/227165114.db2.gz UOBCJSVCSCFWGC-LNLFQRSKSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658328271 418937008 /nfs/dbraw/zinc/93/70/08/418937008.db2.gz ADAZOBVMLPZBQN-GOEBONIOSA-N 2 2 299.418 3.338 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352439 418955819 /nfs/dbraw/zinc/95/58/19/418955819.db2.gz YFSXGRCLHRPKPS-BBRMVZONSA-N 2 2 293.480 3.047 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352439 418955822 /nfs/dbraw/zinc/95/58/22/418955822.db2.gz YFSXGRCLHRPKPS-BBRMVZONSA-N 2 2 293.480 3.047 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2CCC[C@H]2C2CCC2)C1 ZINC000659874246 419025146 /nfs/dbraw/zinc/02/51/46/419025146.db2.gz CTXPVIIPSGXELM-INMHGKMJSA-N 2 2 264.457 3.229 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2CCC[C@H]2C2CCC2)C1 ZINC000659874246 419025150 /nfs/dbraw/zinc/02/51/50/419025150.db2.gz CTXPVIIPSGXELM-INMHGKMJSA-N 2 2 264.457 3.229 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665238245 419088227 /nfs/dbraw/zinc/08/82/27/419088227.db2.gz UTNJIMZLDJBRHO-SMDDNHRTSA-N 2 2 286.341 3.025 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)[C@H]1CCCCO1 ZINC000653873277 419100416 /nfs/dbraw/zinc/10/04/16/419100416.db2.gz OCDQTLJSCNEAMA-YESZJQIVSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)[C@H]1CCCCO1 ZINC000653873277 419100420 /nfs/dbraw/zinc/10/04/20/419100420.db2.gz OCDQTLJSCNEAMA-YESZJQIVSA-N 2 2 282.472 3.187 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665280011 419100928 /nfs/dbraw/zinc/10/09/28/419100928.db2.gz RBMUCXWHDCHADU-KSTDHSDQSA-N 2 2 288.435 3.268 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000665294046 419107026 /nfs/dbraw/zinc/10/70/26/419107026.db2.gz HDOZFDSDISWTEH-QWHCGFSZSA-N 2 2 272.392 3.107 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000665296582 419110790 /nfs/dbraw/zinc/11/07/90/419110790.db2.gz UXRMIXNIKZNUGQ-XJKSGUPXSA-N 2 2 276.424 3.221 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc2ccccc21 ZINC000665297646 419110932 /nfs/dbraw/zinc/11/09/32/419110932.db2.gz JDXJPZLDCVLQHI-GUYCJALGSA-N 2 2 256.393 3.488 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655858927 419125240 /nfs/dbraw/zinc/12/52/40/419125240.db2.gz BOBYSTHNRKVAIK-INDMIFKZSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655858927 419125243 /nfs/dbraw/zinc/12/52/43/419125243.db2.gz BOBYSTHNRKVAIK-INDMIFKZSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848136 419118895 /nfs/dbraw/zinc/11/88/95/419118895.db2.gz BZLDRBQIJTYWEO-VNQPRFMTSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848136 419118899 /nfs/dbraw/zinc/11/88/99/419118899.db2.gz BZLDRBQIJTYWEO-VNQPRFMTSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000655848651 419119425 /nfs/dbraw/zinc/11/94/25/419119425.db2.gz JOYLJWBFBSGLML-RRQGHBQHSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000655848651 419119426 /nfs/dbraw/zinc/11/94/26/419119426.db2.gz JOYLJWBFBSGLML-RRQGHBQHSA-N 2 2 276.399 3.493 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2cn1 ZINC000655855976 419122684 /nfs/dbraw/zinc/12/26/84/419122684.db2.gz JYRZNMTYNGGRHE-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2cn1 ZINC000655855976 419122686 /nfs/dbraw/zinc/12/26/86/419122686.db2.gz JYRZNMTYNGGRHE-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000653581495 419052854 /nfs/dbraw/zinc/05/28/54/419052854.db2.gz SRDVOTDONSRCSU-ZDUSSCGKSA-N 2 2 261.413 3.415 20 0 CGADLP CC(C)(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000653581495 419052858 /nfs/dbraw/zinc/05/28/58/419052858.db2.gz SRDVOTDONSRCSU-ZDUSSCGKSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943413 419128991 /nfs/dbraw/zinc/12/89/91/419128991.db2.gz ODQRBXXBVRGNCU-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655943413 419128995 /nfs/dbraw/zinc/12/89/95/419128995.db2.gz ODQRBXXBVRGNCU-FUJMWEONSA-N 2 2 262.372 3.090 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000655940604 419129130 /nfs/dbraw/zinc/12/91/30/419129130.db2.gz DDFGQSAJUTTXNK-INIZCTEOSA-N 2 2 278.440 3.282 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000660762675 419192568 /nfs/dbraw/zinc/19/25/68/419192568.db2.gz BYXTVDBZQAESNG-OAHLLOKOSA-N 2 2 260.425 3.036 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(Cl)c1 ZINC000655940611 419128858 /nfs/dbraw/zinc/12/88/58/419128858.db2.gz DIFWZFKQQZLPBL-CYBMUJFWSA-N 2 2 254.805 3.111 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(C)cc1 ZINC000657291377 419243913 /nfs/dbraw/zinc/24/39/13/419243913.db2.gz QZULHLQQZOPZAA-INIZCTEOSA-N 2 2 269.392 3.379 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc2ccccc2o1 ZINC000657293218 419244997 /nfs/dbraw/zinc/24/49/97/419244997.db2.gz KGCAWTCWHOBKLF-LBPRGKRZSA-N 2 2 281.359 3.426 20 0 CGADLP Cc1ccc(OCCCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657313038 419248747 /nfs/dbraw/zinc/24/87/47/419248747.db2.gz GJPWYWRFUSHLNJ-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(C)C)cc2)n1C ZINC000657326156 419251114 /nfs/dbraw/zinc/25/11/14/419251114.db2.gz BCLZPQGCROIZTN-UHFFFAOYSA-N 2 2 257.381 3.142 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCCCC1CCCC1)CCC2 ZINC000657381615 419265099 /nfs/dbraw/zinc/26/50/99/419265099.db2.gz QRXBPQQUZRGSJS-UHFFFAOYSA-N 2 2 261.413 3.279 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1F ZINC000657385204 419266335 /nfs/dbraw/zinc/26/63/35/419266335.db2.gz SDHBZWPODNCRDL-NSHDSACASA-N 2 2 291.345 3.001 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388650 419267202 /nfs/dbraw/zinc/26/72/02/419267202.db2.gz MPYZQHCUCMZEDH-XIKOKIGWSA-N 2 2 299.393 3.382 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1F ZINC000656677689 419199210 /nfs/dbraw/zinc/19/92/10/419199210.db2.gz VQEGUUIEDINKNN-QWHCGFSZSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1F ZINC000656677689 419199212 /nfs/dbraw/zinc/19/92/12/419199212.db2.gz VQEGUUIEDINKNN-QWHCGFSZSA-N 2 2 264.388 3.349 20 0 CGADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)[NH3+] ZINC000656784635 419218354 /nfs/dbraw/zinc/21/83/54/419218354.db2.gz GGKHQZZRFSZQTH-UHFFFAOYSA-N 2 2 277.799 3.057 20 0 CGADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)CC(C)(C)[NH3+] ZINC000656784635 419218356 /nfs/dbraw/zinc/21/83/56/419218356.db2.gz GGKHQZZRFSZQTH-UHFFFAOYSA-N 2 2 277.799 3.057 20 0 CGADLP CC[C@@H](C)[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661109390 419231092 /nfs/dbraw/zinc/23/10/92/419231092.db2.gz ZTCPBIJKVLSFNP-CQSZACIVSA-N 2 2 257.381 3.493 20 0 CGADLP CC[C@@H](C)[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000661109390 419231094 /nfs/dbraw/zinc/23/10/94/419231094.db2.gz ZTCPBIJKVLSFNP-CQSZACIVSA-N 2 2 257.381 3.493 20 0 CGADLP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000661135441 419234351 /nfs/dbraw/zinc/23/43/51/419234351.db2.gz BWHRODUHPGLSCP-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000661135441 419234354 /nfs/dbraw/zinc/23/43/54/419234354.db2.gz BWHRODUHPGLSCP-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP CCc1cccc2cc(C[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000657285463 419242334 /nfs/dbraw/zinc/24/23/34/419242334.db2.gz CSXBJBLCVSJOLH-UHFFFAOYSA-N 2 2 283.375 3.372 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525615 419297970 /nfs/dbraw/zinc/29/79/70/419297970.db2.gz ZIXWXLKXKJFXJJ-CQSZACIVSA-N 2 2 278.465 3.371 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525615 419297972 /nfs/dbraw/zinc/29/79/72/419297972.db2.gz ZIXWXLKXKJFXJJ-CQSZACIVSA-N 2 2 278.465 3.371 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000657526576 419298256 /nfs/dbraw/zinc/29/82/56/419298256.db2.gz JHMYLRNJWCHZHB-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000657526576 419298258 /nfs/dbraw/zinc/29/82/58/419298258.db2.gz JHMYLRNJWCHZHB-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+]1Cc1ccccc1 ZINC000657653435 419319318 /nfs/dbraw/zinc/31/93/18/419319318.db2.gz KWERZXSBTMOMST-QAPCUYQASA-N 2 2 284.403 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+]1Cc1ccccc1 ZINC000657653435 419319319 /nfs/dbraw/zinc/31/93/19/419319319.db2.gz KWERZXSBTMOMST-QAPCUYQASA-N 2 2 284.403 3.075 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2COCc3ccccc32)c[nH+]1 ZINC000418103006 228046344 /nfs/dbraw/zinc/04/63/44/228046344.db2.gz IEUGIEMFWJKPFI-GOSISDBHSA-N 2 2 282.387 3.184 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCSCC1)Cc1ccccc1 ZINC000657818101 419368350 /nfs/dbraw/zinc/36/83/50/419368350.db2.gz SAWRQHUDKROGPX-DLBZAZTESA-N 2 2 292.492 3.035 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nsc2ccccc21 ZINC000662234804 419370196 /nfs/dbraw/zinc/37/01/96/419370196.db2.gz NJAGVRVXEHDKML-IUODEOHRSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662234804 419370200 /nfs/dbraw/zinc/37/02/00/419370200.db2.gz NJAGVRVXEHDKML-IUODEOHRSA-N 2 2 289.448 3.041 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCSc1cccc(Cl)c1 ZINC000662246435 419374322 /nfs/dbraw/zinc/37/43/22/419374322.db2.gz UHSNPHSEQHAAJE-CYBMUJFWSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCSc1cccc(Cl)c1 ZINC000662246435 419374325 /nfs/dbraw/zinc/37/43/25/419374325.db2.gz UHSNPHSEQHAAJE-CYBMUJFWSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055910 419522508 /nfs/dbraw/zinc/52/25/08/419522508.db2.gz JUZDZFCLDGAYTR-GJZGRUSLSA-N 2 2 289.467 3.276 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055910 419522518 /nfs/dbraw/zinc/52/25/18/419522518.db2.gz JUZDZFCLDGAYTR-GJZGRUSLSA-N 2 2 289.467 3.276 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000658058127 419528864 /nfs/dbraw/zinc/52/88/64/419528864.db2.gz CWAWWHWDIZEHHS-HUUCEWRRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000658058127 419528873 /nfs/dbraw/zinc/52/88/73/419528873.db2.gz CWAWWHWDIZEHHS-HUUCEWRRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060344 419530736 /nfs/dbraw/zinc/53/07/36/419530736.db2.gz YVXPIGJDJNZOSV-GOEBONIOSA-N 2 2 293.430 3.380 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060344 419530743 /nfs/dbraw/zinc/53/07/43/419530743.db2.gz YVXPIGJDJNZOSV-GOEBONIOSA-N 2 2 293.430 3.380 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658061952 419536772 /nfs/dbraw/zinc/53/67/72/419536772.db2.gz PYYRUXNALQJUKX-DZGCQCFKSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658061952 419536777 /nfs/dbraw/zinc/53/67/77/419536777.db2.gz PYYRUXNALQJUKX-DZGCQCFKSA-N 2 2 278.415 3.219 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658063426 419537698 /nfs/dbraw/zinc/53/76/98/419537698.db2.gz VIMGVOXVKVGNFU-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658063426 419537706 /nfs/dbraw/zinc/53/77/06/419537706.db2.gz VIMGVOXVKVGNFU-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000658089508 419560252 /nfs/dbraw/zinc/56/02/52/419560252.db2.gz VVYIQZSEFZNZHU-JJRVBVJISA-N 2 2 290.426 3.280 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000658089508 419560259 /nfs/dbraw/zinc/56/02/59/419560259.db2.gz VVYIQZSEFZNZHU-JJRVBVJISA-N 2 2 290.426 3.280 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090979 419563912 /nfs/dbraw/zinc/56/39/12/419563912.db2.gz JWCCPOKPEGFJLC-HZPDHXFCSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccnc1 ZINC000658090979 419563920 /nfs/dbraw/zinc/56/39/20/419563920.db2.gz JWCCPOKPEGFJLC-HZPDHXFCSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000658095380 419574466 /nfs/dbraw/zinc/57/44/66/419574466.db2.gz GTWSVNZZPVWPRA-YOEHRIQHSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000658095380 419574475 /nfs/dbraw/zinc/57/44/75/419574475.db2.gz GTWSVNZZPVWPRA-YOEHRIQHSA-N 2 2 288.435 3.232 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCCCCn2cc[nH+]c2)[nH+]1 ZINC000663770460 419707470 /nfs/dbraw/zinc/70/74/70/419707470.db2.gz ASESFSRQXQNYMI-UHFFFAOYSA-N 2 2 298.312 3.498 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193518 419652244 /nfs/dbraw/zinc/65/22/44/419652244.db2.gz WDTRDHBJBYGILV-ZBFHGGJFSA-N 2 2 293.430 3.020 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)F ZINC000658193518 419652250 /nfs/dbraw/zinc/65/22/50/419652250.db2.gz WDTRDHBJBYGILV-ZBFHGGJFSA-N 2 2 293.430 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286569 419731921 /nfs/dbraw/zinc/73/19/21/419731921.db2.gz AULWSLLMKOWJMK-OCCSQVGLSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286569 419731926 /nfs/dbraw/zinc/73/19/26/419731926.db2.gz AULWSLLMKOWJMK-OCCSQVGLSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000658284914 419732934 /nfs/dbraw/zinc/73/29/34/419732934.db2.gz HXCZOEYFIBJORT-NVXWUHKLSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000658284914 419732942 /nfs/dbraw/zinc/73/29/42/419732942.db2.gz HXCZOEYFIBJORT-NVXWUHKLSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000658286798 419733783 /nfs/dbraw/zinc/73/37/83/419733783.db2.gz CFRXYPSXNRRRIO-GOEBONIOSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000658286798 419733792 /nfs/dbraw/zinc/73/37/92/419733792.db2.gz CFRXYPSXNRRRIO-GOEBONIOSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295209 419740797 /nfs/dbraw/zinc/74/07/97/419740797.db2.gz RGFWHEJDAYSJHR-AHCXZYCDSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000222566100 287630304 /nfs/dbraw/zinc/63/03/04/287630304.db2.gz MUGWBSLOJSZZNI-AWEZNQCLSA-N 2 2 275.371 3.023 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)c(Cl)c1 ZINC000313281102 260277433 /nfs/dbraw/zinc/27/74/33/260277433.db2.gz KNQLKFOOSKZMAW-JTQLQIEISA-N 2 2 281.762 3.106 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000020023110 262226114 /nfs/dbraw/zinc/22/61/14/262226114.db2.gz QQZYQVKCGGMRMQ-DJIMGWMZSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000391197473 262389073 /nfs/dbraw/zinc/38/90/73/262389073.db2.gz NAQBNOGSJZSHDP-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000391197473 262389075 /nfs/dbraw/zinc/38/90/75/262389075.db2.gz NAQBNOGSJZSHDP-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000273195910 263013743 /nfs/dbraw/zinc/01/37/43/263013743.db2.gz HWUGDFHGDQLIPZ-KGLIPLIRSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000290483035 263117186 /nfs/dbraw/zinc/11/71/86/263117186.db2.gz VLXLOJVZEIPEOP-LPHOPBHVSA-N 2 2 298.430 3.424 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904526 270028255 /nfs/dbraw/zinc/02/82/55/270028255.db2.gz TUXCWOJJNKBTCT-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904526 270028256 /nfs/dbraw/zinc/02/82/56/270028256.db2.gz TUXCWOJJNKBTCT-DOTOQJQBSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037295815 270029196 /nfs/dbraw/zinc/02/91/96/270029196.db2.gz WBBNPZYAKRPUQA-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037295815 270029197 /nfs/dbraw/zinc/02/91/97/270029197.db2.gz WBBNPZYAKRPUQA-RDJZCZTQSA-N 2 2 260.425 3.429 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000041075836 270030138 /nfs/dbraw/zinc/03/01/38/270030138.db2.gz RIPYJLZPEMBTOX-GOSISDBHSA-N 2 2 272.436 3.459 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687620 270037435 /nfs/dbraw/zinc/03/74/35/270037435.db2.gz HMCOESARDZBERU-WBVHZDCISA-N 2 2 272.436 3.142 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687620 270037436 /nfs/dbraw/zinc/03/74/36/270037436.db2.gz HMCOESARDZBERU-WBVHZDCISA-N 2 2 272.436 3.142 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000045094509 270038302 /nfs/dbraw/zinc/03/83/02/270038302.db2.gz REYAFNWLAZZFQA-LBPRGKRZSA-N 2 2 279.334 3.292 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000230656615 270089000 /nfs/dbraw/zinc/08/90/00/270089000.db2.gz KBIJAIDCSXHLIP-WLYUNCDWSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000230656615 270089001 /nfs/dbraw/zinc/08/90/01/270089001.db2.gz KBIJAIDCSXHLIP-WLYUNCDWSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000321228712 270093449 /nfs/dbraw/zinc/09/34/49/270093449.db2.gz LJNDFTCZSVKOER-KBXCAEBGSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000321228712 270093450 /nfs/dbraw/zinc/09/34/50/270093450.db2.gz LJNDFTCZSVKOER-KBXCAEBGSA-N 2 2 284.403 3.341 20 0 CGADLP CC[N@H+](CC[NH2+]C/C(C)=C\c1ccccc1)C1CC1 ZINC000522621379 270106760 /nfs/dbraw/zinc/10/67/60/270106760.db2.gz XMWXBPISMSPUHL-SQFISAMPSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@@H+](CC[NH2+]C/C(C)=C\c1ccccc1)C1CC1 ZINC000522621379 270106761 /nfs/dbraw/zinc/10/67/61/270106761.db2.gz XMWXBPISMSPUHL-SQFISAMPSA-N 2 2 258.409 3.164 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000525874739 270120480 /nfs/dbraw/zinc/12/04/80/270120480.db2.gz HBCQBFGLNYEMSN-GJZGRUSLSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000525874739 270120481 /nfs/dbraw/zinc/12/04/81/270120481.db2.gz HBCQBFGLNYEMSN-GJZGRUSLSA-N 2 2 278.415 3.393 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701997 270132562 /nfs/dbraw/zinc/13/25/62/270132562.db2.gz WQPOLBUKYCCSPY-VZEFYGNVSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701997 270132563 /nfs/dbraw/zinc/13/25/63/270132563.db2.gz WQPOLBUKYCCSPY-VZEFYGNVSA-N 2 2 262.441 3.028 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)nc1 ZINC000527737916 270133401 /nfs/dbraw/zinc/13/34/01/270133401.db2.gz WBZCVJLTDNCYJH-ZACQAIPSSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753163 270134526 /nfs/dbraw/zinc/13/45/26/270134526.db2.gz PZUMSMIQHXXGCA-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753163 270134527 /nfs/dbraw/zinc/13/45/27/270134527.db2.gz PZUMSMIQHXXGCA-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807072 270137132 /nfs/dbraw/zinc/13/71/32/270137132.db2.gz MBJZXCDEXWLBKO-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807072 270137133 /nfs/dbraw/zinc/13/71/33/270137133.db2.gz MBJZXCDEXWLBKO-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC1(C)C ZINC000527809741 270137692 /nfs/dbraw/zinc/13/76/92/270137692.db2.gz MYZBJIVIJHRHCL-QEJZJMRPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC1(C)C ZINC000527809741 270137693 /nfs/dbraw/zinc/13/76/93/270137693.db2.gz MYZBJIVIJHRHCL-QEJZJMRPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CC12CC2 ZINC000527865838 270140594 /nfs/dbraw/zinc/14/05/94/270140594.db2.gz VLCVUHGZBKJWIR-KBXIAJHMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527847963 270139565 /nfs/dbraw/zinc/13/95/65/270139565.db2.gz QRIUYVXGZJKBAA-XIRDDKMYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527847963 270139566 /nfs/dbraw/zinc/13/95/66/270139566.db2.gz QRIUYVXGZJKBAA-XIRDDKMYSA-N 2 2 270.420 3.039 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000528000008 270149965 /nfs/dbraw/zinc/14/99/65/270149965.db2.gz IJPOHFFQEITRAO-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000528000008 270149966 /nfs/dbraw/zinc/14/99/66/270149966.db2.gz IJPOHFFQEITRAO-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528001654 270150062 /nfs/dbraw/zinc/15/00/62/270150062.db2.gz MNPXUNWOWYLHLL-XUJLQICISA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528001654 270150063 /nfs/dbraw/zinc/15/00/63/270150063.db2.gz MNPXUNWOWYLHLL-XUJLQICISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010027 270151137 /nfs/dbraw/zinc/15/11/37/270151137.db2.gz HYHFSMXEYFDNOH-DYVFJYSZSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010027 270151138 /nfs/dbraw/zinc/15/11/38/270151138.db2.gz HYHFSMXEYFDNOH-DYVFJYSZSA-N 2 2 276.399 3.493 20 0 CGADLP Cc1cccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000528117356 270154951 /nfs/dbraw/zinc/15/49/51/270154951.db2.gz MZGHTYAIFRSASI-HNNXBMFYSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)[nH+]1 ZINC000528117356 270154952 /nfs/dbraw/zinc/15/49/52/270154952.db2.gz MZGHTYAIFRSASI-HNNXBMFYSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000529529651 270182743 /nfs/dbraw/zinc/18/27/43/270182743.db2.gz BCOVXWGUEQBVDX-UPJWGTAASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000529529651 270182744 /nfs/dbraw/zinc/18/27/44/270182744.db2.gz BCOVXWGUEQBVDX-UPJWGTAASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C2CC2)c1 ZINC000530215710 270195557 /nfs/dbraw/zinc/19/55/57/270195557.db2.gz IEONYKCOJUIMHL-CXAGYDPISA-N 2 2 270.420 3.499 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1nccc2ccccc21 ZINC000530215495 270195777 /nfs/dbraw/zinc/19/57/77/270195777.db2.gz GQSPFIKBAUHXSO-CJNGLKHVSA-N 2 2 281.403 3.170 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530216004 270195897 /nfs/dbraw/zinc/19/58/97/270195897.db2.gz LOBZEDOEFRODHT-HUUCEWRRSA-N 2 2 262.372 3.151 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530218948 270196069 /nfs/dbraw/zinc/19/60/69/270196069.db2.gz KGFZBNVWZLZXQN-DOTOQJQBSA-N 2 2 286.419 3.083 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218776 270196122 /nfs/dbraw/zinc/19/61/22/270196122.db2.gz JNCSZEPFXJAALX-XHDPSFHLSA-N 2 2 294.826 3.284 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218770 270196143 /nfs/dbraw/zinc/19/61/43/270196143.db2.gz JNCSZEPFXJAALX-IAQYHMDHSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(F)c(F)c(F)c1 ZINC000530219477 270196351 /nfs/dbraw/zinc/19/63/51/270196351.db2.gz LUQCVRMJKRMFEN-RNCFNFMXSA-N 2 2 284.325 3.039 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ncccc1F ZINC000530220763 270196432 /nfs/dbraw/zinc/19/64/32/270196432.db2.gz CQMUPSCZOZEJSM-HZSPNIEDSA-N 2 2 279.403 3.182 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)F)c1 ZINC000530222097 270196732 /nfs/dbraw/zinc/19/67/32/270196732.db2.gz QFIISIGCSXAJCC-SMDDNHRTSA-N 2 2 296.361 3.223 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000531677692 270208451 /nfs/dbraw/zinc/20/84/51/270208451.db2.gz LZNVGHFLWFHLGI-CQSZACIVSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965581 270211828 /nfs/dbraw/zinc/21/18/28/270211828.db2.gz MXOMORVIIWJWNC-CABCVRRESA-N 2 2 261.413 3.442 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984640 270212431 /nfs/dbraw/zinc/21/24/31/270212431.db2.gz JASGCMMTSXTBLK-YJBOKZPZSA-N 2 2 292.442 3.324 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984640 270212432 /nfs/dbraw/zinc/21/24/32/270212432.db2.gz JASGCMMTSXTBLK-YJBOKZPZSA-N 2 2 292.442 3.324 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507292 270216350 /nfs/dbraw/zinc/21/63/50/270216350.db2.gz OGVORVVQAUNYMR-NVXWUHKLSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507292 270216351 /nfs/dbraw/zinc/21/63/51/270216351.db2.gz OGVORVVQAUNYMR-NVXWUHKLSA-N 2 2 282.472 3.046 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353445765 273650374 /nfs/dbraw/zinc/65/03/74/273650374.db2.gz IDQIBADYTUOFPP-INIZCTEOSA-N 2 2 290.455 3.105 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000337509260 274141909 /nfs/dbraw/zinc/14/19/09/274141909.db2.gz KEUJYSRBPZVSSG-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000337509260 274141910 /nfs/dbraw/zinc/14/19/10/274141910.db2.gz KEUJYSRBPZVSSG-QAPCUYQASA-N 2 2 296.414 3.032 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[N@@H+]1C ZINC000246841155 274394740 /nfs/dbraw/zinc/39/47/40/274394740.db2.gz AXYHAVHBMNMKGH-ZLDLUXBVSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CC[N@H+]1C ZINC000246841155 274394741 /nfs/dbraw/zinc/39/47/41/274394741.db2.gz AXYHAVHBMNMKGH-ZLDLUXBVSA-N 2 2 294.439 3.435 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000411974469 275072541 /nfs/dbraw/zinc/07/25/41/275072541.db2.gz ADGXZLPSBYRCRA-KRWDZBQOSA-N 2 2 281.403 3.153 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c[nH+]1 ZINC000411974469 275072542 /nfs/dbraw/zinc/07/25/42/275072542.db2.gz ADGXZLPSBYRCRA-KRWDZBQOSA-N 2 2 281.403 3.153 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557714 275398362 /nfs/dbraw/zinc/39/83/62/275398362.db2.gz SKHUQQIATKTCSI-SUIFULHWSA-N 2 2 266.816 3.283 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000171692980 275656724 /nfs/dbraw/zinc/65/67/24/275656724.db2.gz IKZJEPQKSFTCQU-ZDUSSCGKSA-N 2 2 264.388 3.349 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449336158 276045596 /nfs/dbraw/zinc/04/55/96/276045596.db2.gz MWVKAGSSGQRPFE-KBPBESRZSA-N 2 2 261.413 3.216 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449336158 276045597 /nfs/dbraw/zinc/04/55/97/276045597.db2.gz MWVKAGSSGQRPFE-KBPBESRZSA-N 2 2 261.413 3.216 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449355 276075081 /nfs/dbraw/zinc/07/50/81/276075081.db2.gz NQAHFYZRPHQULG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449355 276075083 /nfs/dbraw/zinc/07/50/83/276075083.db2.gz NQAHFYZRPHQULG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449355 276075084 /nfs/dbraw/zinc/07/50/84/276075084.db2.gz NQAHFYZRPHQULG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC000245449355 276075086 /nfs/dbraw/zinc/07/50/86/276075086.db2.gz NQAHFYZRPHQULG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092301 276168029 /nfs/dbraw/zinc/16/80/29/276168029.db2.gz ATFMMLKLIDCFET-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092301 276168030 /nfs/dbraw/zinc/16/80/30/276168030.db2.gz ATFMMLKLIDCFET-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000352868281 276185938 /nfs/dbraw/zinc/18/59/38/276185938.db2.gz CSFFZDMCQVYDSP-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352326 276217940 /nfs/dbraw/zinc/21/79/40/276217940.db2.gz WXLMVPUVBMOJFS-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000414352326 276217941 /nfs/dbraw/zinc/21/79/41/276217941.db2.gz WXLMVPUVBMOJFS-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000340437914 276222368 /nfs/dbraw/zinc/22/23/68/276222368.db2.gz UJZHJLSDEUEULK-WOICTCIZSA-N 2 2 250.430 3.028 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000340437914 276222370 /nfs/dbraw/zinc/22/23/70/276222370.db2.gz UJZHJLSDEUEULK-WOICTCIZSA-N 2 2 250.430 3.028 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427855319 276241036 /nfs/dbraw/zinc/24/10/36/276241036.db2.gz SDBFYLAXNANKAB-ILXRZTDVSA-N 2 2 261.413 3.146 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423393573 276270952 /nfs/dbraw/zinc/27/09/52/276270952.db2.gz YVBCKFJNZMIWLP-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1Cl ZINC000423175460 276636323 /nfs/dbraw/zinc/63/63/23/276636323.db2.gz ANVNCLYJSQPSJE-NSHDSACASA-N 2 2 291.620 3.102 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)c1ccccc1 ZINC000502686422 276792614 /nfs/dbraw/zinc/79/26/14/276792614.db2.gz KESXHMYPYRHRIL-TVFCKZIOSA-N 2 2 272.436 3.458 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634428 277061188 /nfs/dbraw/zinc/06/11/88/277061188.db2.gz AWJWYIMLWITXNG-IAGOWNOFSA-N 2 2 276.399 3.041 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634428 277061189 /nfs/dbraw/zinc/06/11/89/277061189.db2.gz AWJWYIMLWITXNG-IAGOWNOFSA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634428 277061190 /nfs/dbraw/zinc/06/11/90/277061190.db2.gz AWJWYIMLWITXNG-IAGOWNOFSA-N 2 2 276.399 3.041 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000374634428 277061191 /nfs/dbraw/zinc/06/11/91/277061191.db2.gz AWJWYIMLWITXNG-IAGOWNOFSA-N 2 2 276.399 3.041 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000350093601 277194443 /nfs/dbraw/zinc/19/44/43/277194443.db2.gz GCODQDXONPKVEC-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000281951063 277548297 /nfs/dbraw/zinc/54/82/97/277548297.db2.gz ANUCMRUZOBIMBM-DOTOQJQBSA-N 2 2 299.418 3.167 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000449009067 277807556 /nfs/dbraw/zinc/80/75/56/277807556.db2.gz GJLVIMLOQUUMAF-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000302782683 278042830 /nfs/dbraw/zinc/04/28/30/278042830.db2.gz SRKZCDPXLDRMAJ-OKILXGFUSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000302782683 278042831 /nfs/dbraw/zinc/04/28/31/278042831.db2.gz SRKZCDPXLDRMAJ-OKILXGFUSA-N 2 2 299.418 3.081 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000396585982 288014293 /nfs/dbraw/zinc/01/42/93/288014293.db2.gz AHNLGRVWIMFVMU-GUYCJALGSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000349980107 278225402 /nfs/dbraw/zinc/22/54/02/278225402.db2.gz YIUJKRJPWBOSFJ-GOEBONIOSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000349980107 278225403 /nfs/dbraw/zinc/22/54/03/278225403.db2.gz YIUJKRJPWBOSFJ-GOEBONIOSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2n1 ZINC000423499779 278268897 /nfs/dbraw/zinc/26/88/97/278268897.db2.gz JTSKCZWSMAFRCL-UGSOOPFHSA-N 2 2 283.419 3.403 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000348341428 278271235 /nfs/dbraw/zinc/27/12/35/278271235.db2.gz SPTKDCXPIOYTKV-LBPRGKRZSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000342722310 278271314 /nfs/dbraw/zinc/27/13/14/278271314.db2.gz GYIXALYDWQGTBU-SLEUVZQESA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(Cl)cc1 ZINC000342722310 278271316 /nfs/dbraw/zinc/27/13/16/278271316.db2.gz GYIXALYDWQGTBU-SLEUVZQESA-N 2 2 266.816 3.473 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397796442 288031081 /nfs/dbraw/zinc/03/10/81/288031081.db2.gz GHYBTNKYZISORM-HNNXBMFYSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397836312 288031968 /nfs/dbraw/zinc/03/19/68/288031968.db2.gz OTQKHUWGLABBKF-NFAWXSAZSA-N 2 2 287.432 3.417 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397893614 288034358 /nfs/dbraw/zinc/03/43/58/288034358.db2.gz PXNODWSMANGFOQ-AWEZNQCLSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000397910335 288034715 /nfs/dbraw/zinc/03/47/15/288034715.db2.gz YBPIHCHMVSZQER-LLVKDONJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](C)C1CCCCC1 ZINC000414371177 278359616 /nfs/dbraw/zinc/35/96/16/278359616.db2.gz WARPZNGQQJOYOA-ZIAGYGMSSA-N 2 2 292.471 3.181 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422992118 278380997 /nfs/dbraw/zinc/38/09/97/278380997.db2.gz QRMIBFFSLVBMNG-WQVCFCJDSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@H]1CCC[NH2+]1 ZINC000422846567 278386265 /nfs/dbraw/zinc/38/62/65/278386265.db2.gz QCYYUCXGHZOXEI-HONMWMINSA-N 2 2 280.412 3.093 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1N(C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423054978 288063105 /nfs/dbraw/zinc/06/31/05/288063105.db2.gz CLFWMSNRPXECLN-IRXDYDNUSA-N 2 2 289.467 3.151 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1F ZINC000423262411 288063163 /nfs/dbraw/zinc/06/31/63/288063163.db2.gz MKVSKXJNIBHDQH-DOMZBBRYSA-N 2 2 252.377 3.240 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(C)ccc1OC ZINC000423365139 288072917 /nfs/dbraw/zinc/07/29/17/288072917.db2.gz PGPYQCODFKEREB-CWRNSKLLSA-N 2 2 276.424 3.042 20 0 CGADLP CCC1(CC)CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459444697 288092761 /nfs/dbraw/zinc/09/27/61/288092761.db2.gz ZOFCPSVURNUWKT-UHFFFAOYSA-N 2 2 263.429 3.255 20 0 CGADLP CCC1(CC)CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459444697 288092763 /nfs/dbraw/zinc/09/27/63/288092763.db2.gz ZOFCPSVURNUWKT-UHFFFAOYSA-N 2 2 263.429 3.255 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000358388154 279014362 /nfs/dbraw/zinc/01/43/62/279014362.db2.gz BUWGOTSQMJSTNK-CBBSBYJHSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000358388154 279014364 /nfs/dbraw/zinc/01/43/64/279014364.db2.gz BUWGOTSQMJSTNK-CBBSBYJHSA-N 2 2 288.410 3.274 20 0 CGADLP Clc1ccc(CC[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000459489335 288094298 /nfs/dbraw/zinc/09/42/98/288094298.db2.gz XPCBVIAIVICOQM-UHFFFAOYSA-N 2 2 289.810 3.369 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000252962422 279194284 /nfs/dbraw/zinc/19/42/84/279194284.db2.gz PCUZAGHYQHKCPO-SZMVWBNQSA-N 2 2 290.451 3.130 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353291712 279335986 /nfs/dbraw/zinc/33/59/86/279335986.db2.gz ODAKXBMVUWQIHV-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353291712 279335989 /nfs/dbraw/zinc/33/59/89/279335989.db2.gz ODAKXBMVUWQIHV-JSGCOSHPSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126243 279359674 /nfs/dbraw/zinc/35/96/74/279359674.db2.gz XLUPVGUBMKUOFF-UHFFFAOYSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126243 279359676 /nfs/dbraw/zinc/35/96/76/279359676.db2.gz XLUPVGUBMKUOFF-UHFFFAOYSA-N 2 2 266.351 3.037 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289362212 279388348 /nfs/dbraw/zinc/38/83/48/279388348.db2.gz ZJDLIJIUYNQKPO-WOSRLPQWSA-N 2 2 255.365 3.110 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459743366 279437037 /nfs/dbraw/zinc/43/70/37/279437037.db2.gz DFFASZAYIRIHFJ-KWCYVHTRSA-N 2 2 290.373 3.181 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@H]1CCC[NH2+]1 ZINC000422846571 279517932 /nfs/dbraw/zinc/51/79/32/279517932.db2.gz QCYYUCXGHZOXEI-ZLKJLUDKSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453062652 288164145 /nfs/dbraw/zinc/16/41/45/288164145.db2.gz FFBYDAXXEOWWGP-DAYGRLMNSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453062652 288164146 /nfs/dbraw/zinc/16/41/46/288164146.db2.gz FFBYDAXXEOWWGP-DAYGRLMNSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000336812800 279967201 /nfs/dbraw/zinc/96/72/01/279967201.db2.gz SHJNRUQFJCNZLE-WMLDXEAASA-N 2 2 258.409 3.310 20 0 CGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781192 280095283 /nfs/dbraw/zinc/09/52/83/280095283.db2.gz JONNUTTXYXLBRI-JQWIXIFHSA-N 2 2 283.297 3.107 20 0 CGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334781192 280095285 /nfs/dbraw/zinc/09/52/85/280095285.db2.gz JONNUTTXYXLBRI-JQWIXIFHSA-N 2 2 283.297 3.107 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000437101709 280229900 /nfs/dbraw/zinc/22/99/00/280229900.db2.gz ZMLRSCVUWPCKCX-GVXVVHGQSA-N 2 2 278.362 3.178 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000437101709 280229902 /nfs/dbraw/zinc/22/99/02/280229902.db2.gz ZMLRSCVUWPCKCX-GVXVVHGQSA-N 2 2 278.362 3.178 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)CCC2 ZINC000344211531 281550360 /nfs/dbraw/zinc/55/03/60/281550360.db2.gz NKTOBQOFFCQXFM-BPUTZDHNSA-N 2 2 275.440 3.485 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccccc31)CCC2 ZINC000366212653 281551840 /nfs/dbraw/zinc/55/18/40/281551840.db2.gz WCPBEMUHQDPJOO-DOTOQJQBSA-N 2 2 281.403 3.346 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C)cc1 ZINC000532239321 288357434 /nfs/dbraw/zinc/35/74/34/288357434.db2.gz SVBSLWGUXVGLNY-NVXWUHKLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C)cc1 ZINC000532239321 288357436 /nfs/dbraw/zinc/35/74/36/288357436.db2.gz SVBSLWGUXVGLNY-NVXWUHKLSA-N 2 2 260.425 3.378 20 0 CGADLP c1cn(CC[NH2+][C@H](CC2CC2)c2ccccc2)c[nH+]1 ZINC000532460174 288362500 /nfs/dbraw/zinc/36/25/00/288362500.db2.gz RWUSPNJUBRGAQE-MRXNPFEDSA-N 2 2 255.365 3.014 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C(C)C)C1CC1)CCC2 ZINC000532538311 288366142 /nfs/dbraw/zinc/36/61/42/288366142.db2.gz KGSNPTHGOQCUKE-GJZGRUSLSA-N 2 2 261.413 3.093 20 0 CGADLP Cc1[nH+]c2ccccc2c(N2CCn3c[nH+]cc3C2)c1C ZINC000290585089 282074307 /nfs/dbraw/zinc/07/43/07/282074307.db2.gz CHIYRAKITOSNOZ-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP CCc1cc(Nc2ccc(CC[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000542019125 288731586 /nfs/dbraw/zinc/73/15/86/288731586.db2.gz NZRUDYTVRXRMSH-UHFFFAOYSA-N 2 2 284.407 3.195 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000550627648 289079715 /nfs/dbraw/zinc/07/97/15/289079715.db2.gz BAAIETPADQSKKT-MRXNPFEDSA-N 2 2 280.843 3.202 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000550627648 289079719 /nfs/dbraw/zinc/07/97/19/289079719.db2.gz BAAIETPADQSKKT-MRXNPFEDSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209411 289101923 /nfs/dbraw/zinc/10/19/23/289101923.db2.gz BLQLWOXCBPKQAS-BQUDOFGOSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209411 289101924 /nfs/dbraw/zinc/10/19/24/289101924.db2.gz BLQLWOXCBPKQAS-BQUDOFGOSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551814320 289135381 /nfs/dbraw/zinc/13/53/81/289135381.db2.gz UKFVEJUJHVBYEK-JTQLQIEISA-N 2 2 275.318 3.040 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859524 289242208 /nfs/dbraw/zinc/24/22/08/289242208.db2.gz KMTRSJPHRIAHMV-IZIZEDOESA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000553859524 289242210 /nfs/dbraw/zinc/24/22/10/289242210.db2.gz KMTRSJPHRIAHMV-IZIZEDOESA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096607 289258455 /nfs/dbraw/zinc/25/84/55/289258455.db2.gz NNAIGOPKOPNDMN-MXAVVETBSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000554096607 289258456 /nfs/dbraw/zinc/25/84/56/289258456.db2.gz NNAIGOPKOPNDMN-MXAVVETBSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000556413685 289390856 /nfs/dbraw/zinc/39/08/56/289390856.db2.gz QAXODUFHOKXWQB-HZSPNIEDSA-N 2 2 261.413 3.134 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000556585054 289398819 /nfs/dbraw/zinc/39/88/19/289398819.db2.gz FSMDVZYEDPZQSF-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCC2(C)C)[NH+](C)C)cc1 ZINC000556586443 289399303 /nfs/dbraw/zinc/39/93/03/289399303.db2.gz UIYFUQBDIMMQNO-HZPDHXFCSA-N 2 2 260.425 3.376 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000560233942 289577557 /nfs/dbraw/zinc/57/75/57/289577557.db2.gz QMVWZJAAJGOZAA-IMJJTQAJSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266055 289580843 /nfs/dbraw/zinc/58/08/43/289580843.db2.gz DINLGAMKNYGNTH-GJZGRUSLSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000560880455 289618844 /nfs/dbraw/zinc/61/88/44/289618844.db2.gz WMAICOLKVFIARR-HUUCEWRRSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cn1 ZINC000359671408 290019342 /nfs/dbraw/zinc/01/93/42/290019342.db2.gz ICYORICSLMMARD-YUTCNCBUSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cn1 ZINC000359671408 290019344 /nfs/dbraw/zinc/01/93/44/290019344.db2.gz ICYORICSLMMARD-YUTCNCBUSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228967 290061345 /nfs/dbraw/zinc/06/13/45/290061345.db2.gz DMTQHGYVLZPBRB-OBJOEFQTSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228967 290061346 /nfs/dbraw/zinc/06/13/46/290061346.db2.gz DMTQHGYVLZPBRB-OBJOEFQTSA-N 2 2 286.410 3.415 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000361345260 294334862 /nfs/dbraw/zinc/33/48/62/294334862.db2.gz IHJAVAQEPVSACU-ZMSDIMECSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000361345260 294334863 /nfs/dbraw/zinc/33/48/63/294334863.db2.gz IHJAVAQEPVSACU-ZMSDIMECSA-N 2 2 282.472 3.044 20 0 CGADLP COc1ccccc1/C=C\C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000346848809 295348016 /nfs/dbraw/zinc/34/80/16/295348016.db2.gz RLFHQBUFABFZTN-XFFZJAGNSA-N 2 2 296.414 3.169 20 0 CGADLP COc1ccccc1/C=C\C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000346848809 295348017 /nfs/dbraw/zinc/34/80/17/295348017.db2.gz RLFHQBUFABFZTN-XFFZJAGNSA-N 2 2 296.414 3.169 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cnn1C(C)C ZINC000423385268 300991289 /nfs/dbraw/zinc/99/12/89/300991289.db2.gz KKAHBEMRZUQVHM-CJNGLKHVSA-N 2 2 292.471 3.201 20 0 CGADLP Cc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000047873399 301364994 /nfs/dbraw/zinc/36/49/94/301364994.db2.gz QAVHXKIDYVNPLR-CQSZACIVSA-N 2 2 276.428 3.195 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000443214202 302209029 /nfs/dbraw/zinc/20/90/29/302209029.db2.gz KJJKONVIMWYNLU-ATLSCFEFSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000443195523 302209086 /nfs/dbraw/zinc/20/90/86/302209086.db2.gz KYEOJPLRXNEKMD-LZWOXQAQSA-N 2 2 278.465 3.081 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cs1 ZINC000423260162 302635550 /nfs/dbraw/zinc/63/55/50/302635550.db2.gz GSVQQYNOXZBIGS-GWCFXTLKSA-N 2 2 267.442 3.010 20 0 CGADLP c1c[nH]c([C@H]([NH2+]CCC[NH+]2CCCC2)C2CCCCC2)n1 ZINC000367617586 304850661 /nfs/dbraw/zinc/85/06/61/304850661.db2.gz QSELKBSIQJVBAJ-MRXNPFEDSA-N 2 2 290.455 3.107 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000369540519 533700441 /nfs/dbraw/zinc/70/04/41/533700441.db2.gz JLKDPXZJULTXCC-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)n1C ZINC000582073647 327832935 /nfs/dbraw/zinc/83/29/35/327832935.db2.gz LKHJZNGKTIEGDY-SNVBAGLBSA-N 2 2 295.333 3.181 20 0 CGADLP C([NH2+]C(C1CC1)C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000153810417 321727872 /nfs/dbraw/zinc/72/78/72/321727872.db2.gz VZDYJAVFSGNMCA-UHFFFAOYSA-N 2 2 294.508 3.126 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH+]c1 ZINC000403385023 321970187 /nfs/dbraw/zinc/97/01/87/321970187.db2.gz GFZUGROPNIUFDN-OWCLPIDISA-N 2 2 285.435 3.076 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000564585141 322035234 /nfs/dbraw/zinc/03/52/34/322035234.db2.gz OIWBKHUCRROULK-UHFFFAOYSA-N 2 2 287.407 3.180 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566797900 322138531 /nfs/dbraw/zinc/13/85/31/322138531.db2.gz QMBFQVUBDVLZPF-DLBZAZTESA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566797900 322138533 /nfs/dbraw/zinc/13/85/33/322138533.db2.gz QMBFQVUBDVLZPF-DLBZAZTESA-N 2 2 294.389 3.491 20 0 CGADLP COc1cccc(C2([NH2+]CCc3cc[nH+]cc3C)CC2)c1 ZINC000567780276 322177738 /nfs/dbraw/zinc/17/77/38/322177738.db2.gz BKNXEAQXNKWWPE-UHFFFAOYSA-N 2 2 282.387 3.220 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000568076410 322192327 /nfs/dbraw/zinc/19/23/27/322192327.db2.gz IKGDAOYOFIFOHC-GOSISDBHSA-N 2 2 274.452 3.248 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000568575432 322214203 /nfs/dbraw/zinc/21/42/03/322214203.db2.gz XTEOLDACJVANDQ-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000568575432 322214205 /nfs/dbraw/zinc/21/42/05/322214205.db2.gz XTEOLDACJVANDQ-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000569048485 322233122 /nfs/dbraw/zinc/23/31/22/322233122.db2.gz XCVPALYAAYHWCH-ZQDZILKHSA-N 2 2 252.446 3.416 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000569048485 322233123 /nfs/dbraw/zinc/23/31/23/322233123.db2.gz XCVPALYAAYHWCH-ZQDZILKHSA-N 2 2 252.446 3.416 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000569532451 322249675 /nfs/dbraw/zinc/24/96/75/322249675.db2.gz VKZAOSUQHGTIMC-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000569532451 322249673 /nfs/dbraw/zinc/24/96/73/322249673.db2.gz VKZAOSUQHGTIMC-ZDUSSCGKSA-N 2 2 295.496 3.261 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000570090071 322264643 /nfs/dbraw/zinc/26/46/43/322264643.db2.gz NCBXBSDJYMENED-UKRRQHHQSA-N 2 2 269.392 3.050 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000570090071 322264645 /nfs/dbraw/zinc/26/46/45/322264645.db2.gz NCBXBSDJYMENED-UKRRQHHQSA-N 2 2 269.392 3.050 20 0 CGADLP CC(C)C(C[N@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000570762034 322281546 /nfs/dbraw/zinc/28/15/46/322281546.db2.gz JQAFWCALKFLLQM-UHFFFAOYSA-N 2 2 251.418 3.133 20 0 CGADLP CC(C)C(C[N@@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000570762034 322281548 /nfs/dbraw/zinc/28/15/48/322281548.db2.gz JQAFWCALKFLLQM-UHFFFAOYSA-N 2 2 251.418 3.133 20 0 CGADLP c1cn(CCCC[NH2+]C(C2CCC2)C2CCC2)c[nH+]1 ZINC000394222448 329104879 /nfs/dbraw/zinc/10/48/79/329104879.db2.gz PZPPIVBGOFUBLG-UHFFFAOYSA-N 2 2 261.413 3.222 20 0 CGADLP CC(C)(C[NH2+]CC1(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000582898026 329282655 /nfs/dbraw/zinc/28/26/55/329282655.db2.gz JCKZAJYHCDZHKX-UHFFFAOYSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)(C[NH2+]CC1(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000582898026 329282656 /nfs/dbraw/zinc/28/26/56/329282656.db2.gz JCKZAJYHCDZHKX-UHFFFAOYSA-N 2 2 272.436 3.213 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000577041622 335288267 /nfs/dbraw/zinc/28/82/67/335288267.db2.gz LIEHIIBOHNRWOY-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000577057414 335292279 /nfs/dbraw/zinc/29/22/79/335292279.db2.gz BSSBBLAQSZMIBX-HNNXBMFYSA-N 2 2 261.413 3.278 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381488527 336066260 /nfs/dbraw/zinc/06/62/60/336066260.db2.gz PMFVWWLMHXXAQB-GXTWGEPZSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381488527 336066262 /nfs/dbraw/zinc/06/62/62/336066262.db2.gz PMFVWWLMHXXAQB-GXTWGEPZSA-N 2 2 252.427 3.191 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000382130821 336082647 /nfs/dbraw/zinc/08/26/47/336082647.db2.gz OPCKXVCUYMUMNS-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000382130821 336082649 /nfs/dbraw/zinc/08/26/49/336082649.db2.gz OPCKXVCUYMUMNS-KBPBESRZSA-N 2 2 252.427 3.273 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000386182651 336167562 /nfs/dbraw/zinc/16/75/62/336167562.db2.gz YJBCJPDOQHWHKL-RISCZKNCSA-N 2 2 286.341 3.326 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274981481 519617269 /nfs/dbraw/zinc/61/72/69/519617269.db2.gz ZJILWOSUTVIGGG-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274981481 519617275 /nfs/dbraw/zinc/61/72/75/519617275.db2.gz ZJILWOSUTVIGGG-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423433501 533722178 /nfs/dbraw/zinc/72/21/78/533722178.db2.gz RNLPDFLJVOFFLO-CJNGLKHVSA-N 2 2 260.425 3.288 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000449401270 533721736 /nfs/dbraw/zinc/72/17/36/533721736.db2.gz GHTNGDWCNMJUQN-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccn1 ZINC000449401270 533721744 /nfs/dbraw/zinc/72/17/44/533721744.db2.gz GHTNGDWCNMJUQN-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423246165 533775655 /nfs/dbraw/zinc/77/56/55/533775655.db2.gz PNYXUYFSJKEUJK-SUMWQHHRSA-N 2 2 270.376 3.046 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CCC[N@H+](C)[C@H]3C)cccc12 ZINC000449233225 533838109 /nfs/dbraw/zinc/83/81/09/533838109.db2.gz KPGILTQZCBKOCC-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CCC[N@@H+](C)[C@H]3C)cccc12 ZINC000449233225 533838115 /nfs/dbraw/zinc/83/81/15/533838115.db2.gz KPGILTQZCBKOCC-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(NCC[NH+]3CCCC3)cc(C)[nH+]c12 ZINC000359506031 533846164 /nfs/dbraw/zinc/84/61/64/533846164.db2.gz INCUIDRSQLUZSU-UHFFFAOYSA-N 2 2 285.391 3.060 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000358014149 533991462 /nfs/dbraw/zinc/99/14/62/533991462.db2.gz JXLHWZRVJHVRAN-BIENJYKASA-N 2 2 284.447 3.309 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000358014149 533991482 /nfs/dbraw/zinc/99/14/82/533991482.db2.gz JXLHWZRVJHVRAN-BIENJYKASA-N 2 2 284.447 3.309 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134434 534058721 /nfs/dbraw/zinc/05/87/21/534058721.db2.gz JEJMZAZSDZBILA-NWDGAFQWSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1cc(F)cc(F)c1 ZINC000449134434 534058727 /nfs/dbraw/zinc/05/87/27/534058727.db2.gz JEJMZAZSDZBILA-NWDGAFQWSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103413 534267307 /nfs/dbraw/zinc/26/73/07/534267307.db2.gz QFHLHRHSKKEZDD-DZGCQCFKSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103413 534267310 /nfs/dbraw/zinc/26/73/10/534267310.db2.gz QFHLHRHSKKEZDD-DZGCQCFKSA-N 2 2 272.392 3.048 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000348322851 517638252 /nfs/dbraw/zinc/63/82/52/517638252.db2.gz QTARSGSWYDOPFR-HRCADAONSA-N 2 2 290.455 3.028 20 0 CGADLP c1cncc([C@H]2CCC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)c1 ZINC000368514247 534510976 /nfs/dbraw/zinc/51/09/76/534510976.db2.gz MCQZFCINWJSZTF-WMZOPIPTSA-N 2 2 287.451 3.183 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317596 520865981 /nfs/dbraw/zinc/86/59/81/520865981.db2.gz BFKJPMLBFVRQHQ-FUHWJXTLSA-N 2 2 290.451 3.086 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)[nH+]1 ZINC000369350741 534540905 /nfs/dbraw/zinc/54/09/05/534540905.db2.gz WHQFXDASASOPOV-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP CCC[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000164204040 521683586 /nfs/dbraw/zinc/68/35/86/521683586.db2.gz FNFXYEBXZRNUQD-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000164204040 521683587 /nfs/dbraw/zinc/68/35/87/521683587.db2.gz FNFXYEBXZRNUQD-GFCCVEGCSA-N 2 2 270.779 3.053 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)CCC2 ZINC000156572702 522481028 /nfs/dbraw/zinc/48/10/28/522481028.db2.gz NQKKKVMMMPUNDZ-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)CCC2 ZINC000156572702 522481033 /nfs/dbraw/zinc/48/10/33/522481033.db2.gz NQKKKVMMMPUNDZ-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Cl)n1 ZINC000075860666 522928635 /nfs/dbraw/zinc/92/86/35/522928635.db2.gz OYUAHGRSFQMPOC-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Cl)n1 ZINC000075860666 522928640 /nfs/dbraw/zinc/92/86/40/522928640.db2.gz OYUAHGRSFQMPOC-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Cl)n1 ZINC000075860666 522928652 /nfs/dbraw/zinc/92/86/52/522928652.db2.gz OYUAHGRSFQMPOC-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Cl)n1 ZINC000075860666 522928662 /nfs/dbraw/zinc/92/86/62/522928662.db2.gz OYUAHGRSFQMPOC-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414071811 534685175 /nfs/dbraw/zinc/68/51/75/534685175.db2.gz UKGCMWFLHWKZFA-UMVBOHGHSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C[NH3+] ZINC000150293567 524096596 /nfs/dbraw/zinc/09/65/96/524096596.db2.gz ZTBBXOMAIFAGDW-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1C[NH3+] ZINC000150293567 524096608 /nfs/dbraw/zinc/09/66/08/524096608.db2.gz ZTBBXOMAIFAGDW-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923067 525024185 /nfs/dbraw/zinc/02/41/85/525024185.db2.gz KTMDAIJLHLZZEI-SFYZADRCSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923067 525024192 /nfs/dbraw/zinc/02/41/92/525024192.db2.gz KTMDAIJLHLZZEI-SFYZADRCSA-N 2 2 279.236 3.224 20 0 CGADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423335639 534864281 /nfs/dbraw/zinc/86/42/81/534864281.db2.gz UBHBFDQTLQSSPK-NXEZZACHSA-N 2 2 293.411 3.255 20 0 CGADLP c1cn(-c2ccc(C[NH+]3Cc4ccccc4C3)cc2)c[nH+]1 ZINC000155497639 526522745 /nfs/dbraw/zinc/52/27/45/526522745.db2.gz TYBDEKCLXSUIAX-UHFFFAOYSA-N 2 2 275.355 3.388 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000367706055 526753677 /nfs/dbraw/zinc/75/36/77/526753677.db2.gz NAMSWCLDDUICEG-CQSZACIVSA-N 2 2 288.395 3.006 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000367706055 526753682 /nfs/dbraw/zinc/75/36/82/526753682.db2.gz NAMSWCLDDUICEG-CQSZACIVSA-N 2 2 288.395 3.006 20 0 CGADLP CCN(C)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)c[nH+]1 ZINC000359680049 527869926 /nfs/dbraw/zinc/86/99/26/527869926.db2.gz SCXCFRDFYLJLSS-UHFFFAOYSA-N 2 2 295.390 3.037 20 0 CGADLP CC(C)OC1CC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000428089774 527882655 /nfs/dbraw/zinc/88/26/55/527882655.db2.gz HQFJGOHQAGQRTP-LTDKPHRXSA-N 2 2 290.451 3.223 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000414340177 527885981 /nfs/dbraw/zinc/88/59/81/527885981.db2.gz KKMZDLFAOHQNQK-STQMWFEESA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000414340177 527885985 /nfs/dbraw/zinc/88/59/85/527885985.db2.gz KKMZDLFAOHQNQK-STQMWFEESA-N 2 2 264.438 3.153 20 0 CGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNCc1c[nH+]cn1C(C)C ZINC000424159673 527968050 /nfs/dbraw/zinc/96/80/50/527968050.db2.gz PYLYCXNERRFAKM-MRXNPFEDSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNCc1c[nH+]cn1C(C)C ZINC000424159673 527968054 /nfs/dbraw/zinc/96/80/54/527968054.db2.gz PYLYCXNERRFAKM-MRXNPFEDSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705327 528152650 /nfs/dbraw/zinc/15/26/50/528152650.db2.gz QITBHDQOENVGOT-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367705327 528152656 /nfs/dbraw/zinc/15/26/56/528152656.db2.gz QITBHDQOENVGOT-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424321698 528203387 /nfs/dbraw/zinc/20/33/87/528203387.db2.gz HTCGTJNZHKSXSK-SJORKVTESA-N 2 2 276.399 3.088 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000355096533 528205987 /nfs/dbraw/zinc/20/59/87/528205987.db2.gz BPXYGDTYPRSLEJ-GFCCVEGCSA-N 2 2 293.480 3.157 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(OC)cc1 ZINC000414121052 528220443 /nfs/dbraw/zinc/22/04/43/528220443.db2.gz FRMYZLSTRYXOIM-KRWDZBQOSA-N 2 2 287.407 3.102 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423232611 528332496 /nfs/dbraw/zinc/33/24/96/528332496.db2.gz IRPMMUPZSMVYLW-OAHLLOKOSA-N 2 2 266.816 3.380 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000449141564 528347518 /nfs/dbraw/zinc/34/75/18/528347518.db2.gz DXQLWBVXWOIFJY-UHFFFAOYSA-N 2 2 272.502 3.230 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000449141564 528347524 /nfs/dbraw/zinc/34/75/24/528347524.db2.gz DXQLWBVXWOIFJY-UHFFFAOYSA-N 2 2 272.502 3.230 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000423377112 528422839 /nfs/dbraw/zinc/42/28/39/528422839.db2.gz JSMDBHCYXJFRPS-YPMHNXCESA-N 2 2 286.366 3.327 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423315427 528512782 /nfs/dbraw/zinc/51/27/82/528512782.db2.gz XMAWKALWRSTCBZ-OLZOCXBDSA-N 2 2 291.464 3.378 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423315429 528512979 /nfs/dbraw/zinc/51/29/79/528512979.db2.gz XMAWKALWRSTCBZ-STQMWFEESA-N 2 2 291.464 3.378 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423273616 528532334 /nfs/dbraw/zinc/53/23/34/528532334.db2.gz KSWMECUGFTYONQ-CABZTGNLSA-N 2 2 290.329 3.061 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000423262890 528576662 /nfs/dbraw/zinc/57/66/62/528576662.db2.gz NPXLIMYHYVCPMM-CZUORRHYSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1[nH+]ccn1-c1ccccc1 ZINC000424722487 528629792 /nfs/dbraw/zinc/62/97/92/528629792.db2.gz NQTSJBVUBRWUEF-UHFFFAOYSA-N 2 2 281.363 3.262 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000424139458 528630444 /nfs/dbraw/zinc/63/04/44/528630444.db2.gz AMUASHIBZIWKRW-UHFFFAOYSA-N 2 2 285.395 3.071 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc21 ZINC000423281100 528699394 /nfs/dbraw/zinc/69/93/94/528699394.db2.gz UUDSGCFVOVYVMY-GXTWGEPZSA-N 2 2 290.407 3.465 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)o1 ZINC000428246138 528724279 /nfs/dbraw/zinc/72/42/79/528724279.db2.gz QVFIKIXXCSODHH-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)o1 ZINC000428246138 528724282 /nfs/dbraw/zinc/72/42/82/528724282.db2.gz QVFIKIXXCSODHH-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449110875 528823343 /nfs/dbraw/zinc/82/33/43/528823343.db2.gz HJFKETPRKUOKFM-AWEZNQCLSA-N 2 2 274.408 3.294 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449110875 528823347 /nfs/dbraw/zinc/82/33/47/528823347.db2.gz HJFKETPRKUOKFM-AWEZNQCLSA-N 2 2 274.408 3.294 20 0 CGADLP CCOC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152979488 528884958 /nfs/dbraw/zinc/88/49/58/528884958.db2.gz RVDNJMODMXYNNJ-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152979488 528884966 /nfs/dbraw/zinc/88/49/66/528884966.db2.gz RVDNJMODMXYNNJ-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1sccc1Br ZINC000414814247 528954442 /nfs/dbraw/zinc/95/44/42/528954442.db2.gz NRFICZYHMIFGTB-SECBINFHSA-N 2 2 291.258 3.118 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423300842 528955997 /nfs/dbraw/zinc/95/59/97/528955997.db2.gz SFIIPPUZESIHAY-DZGCQCFKSA-N 2 2 271.408 3.403 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OCC ZINC000423297405 528957181 /nfs/dbraw/zinc/95/71/81/528957181.db2.gz KEUMXSYRHUEVFZ-ZIAGYGMSSA-N 2 2 264.413 3.253 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccnc1 ZINC000368478519 529010088 /nfs/dbraw/zinc/01/00/88/529010088.db2.gz SRTROQXSBYOJQE-QGZVFWFLSA-N 2 2 298.434 3.288 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423285667 529070651 /nfs/dbraw/zinc/07/06/51/529070651.db2.gz ZMVCLVDJHDFERD-ZIAGYGMSSA-N 2 2 282.815 3.127 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000359592151 529106214 /nfs/dbraw/zinc/10/62/14/529106214.db2.gz QTDOTPRLUJACTN-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000359592151 529106216 /nfs/dbraw/zinc/10/62/16/529106216.db2.gz QTDOTPRLUJACTN-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccc1OC(F)F ZINC000423455827 529174233 /nfs/dbraw/zinc/17/42/33/529174233.db2.gz CYZMQMOOGOUXRT-CMPLNLGQSA-N 2 2 272.339 3.066 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235574 529174641 /nfs/dbraw/zinc/17/46/41/529174641.db2.gz GNIAERUBRGVGLJ-ZIAGYGMSSA-N 2 2 260.406 3.489 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C(C)(C)C ZINC000367383817 529179836 /nfs/dbraw/zinc/17/98/36/529179836.db2.gz FATGOKVQTNYFGB-ZIAGYGMSSA-N 2 2 263.429 3.483 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000427876774 529203948 /nfs/dbraw/zinc/20/39/48/529203948.db2.gz NBISJPCKPMPUGL-VXGBXAGGSA-N 2 2 261.394 3.000 20 0 CGADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459669966 534956943 /nfs/dbraw/zinc/95/69/43/534956943.db2.gz VECDDTLMTANYNP-ZBFHGGJFSA-N 2 2 263.429 3.157 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000128459652 535066007 /nfs/dbraw/zinc/06/60/07/535066007.db2.gz BXJPTSGHTITQEP-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000128459652 535066010 /nfs/dbraw/zinc/06/60/10/535066010.db2.gz BXJPTSGHTITQEP-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000479861245 535541258 /nfs/dbraw/zinc/54/12/58/535541258.db2.gz NRUBHVDDPFRAJL-GOSISDBHSA-N 2 2 274.452 3.248 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000482248259 535804721 /nfs/dbraw/zinc/80/47/21/535804721.db2.gz WRKFVOMWDLMOFX-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C1CCCCC1 ZINC000482248259 535804722 /nfs/dbraw/zinc/80/47/22/535804722.db2.gz WRKFVOMWDLMOFX-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]([NH3+])[C@H]1C[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000226433456 572349987 /nfs/dbraw/zinc/34/99/87/572349987.db2.gz SPAJAGPVCKTSJH-GRDNDAEWSA-N 2 2 290.451 3.093 20 0 CGADLP C[C@H]([NH3+])[C@H]1C[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CCO1 ZINC000226433456 572349989 /nfs/dbraw/zinc/34/99/89/572349989.db2.gz SPAJAGPVCKTSJH-GRDNDAEWSA-N 2 2 290.451 3.093 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)COc3ccccc3)c[nH+]c12 ZINC000742369540 572568799 /nfs/dbraw/zinc/56/87/99/572568799.db2.gz JSKOMZCERCTLHX-OAHLLOKOSA-N 2 2 295.386 3.200 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH+]1CCCC1 ZINC000089892483 617803720 /nfs/dbraw/zinc/80/37/20/617803720.db2.gz RLCKMYNUHYECPB-UHFFFAOYSA-N 2 2 250.430 3.129 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245330 618083001 /nfs/dbraw/zinc/08/30/01/618083001.db2.gz ZMFNYWNWXAVTTP-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245330 618083006 /nfs/dbraw/zinc/08/30/06/618083006.db2.gz ZMFNYWNWXAVTTP-NXEZZACHSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245392 618083318 /nfs/dbraw/zinc/08/33/18/618083318.db2.gz XLORICCAYVICCU-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245392 618083321 /nfs/dbraw/zinc/08/33/21/618083321.db2.gz XLORICCAYVICCU-VHSXEESVSA-N 2 2 273.207 3.335 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccns1)[NH+]1CCCCC1 ZINC000926140047 618166260 /nfs/dbraw/zinc/16/62/60/618166260.db2.gz AACSBYKTNJKNSO-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926361321 618559110 /nfs/dbraw/zinc/55/91/10/618559110.db2.gz MEYZSUSPGPMODO-ZNMIVQPWSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926361321 618559116 /nfs/dbraw/zinc/55/91/16/618559116.db2.gz MEYZSUSPGPMODO-ZNMIVQPWSA-N 2 2 286.410 3.418 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000135919940 618680152 /nfs/dbraw/zinc/68/01/52/618680152.db2.gz KGPCVIRYCFHTKJ-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000135919940 618680155 /nfs/dbraw/zinc/68/01/55/618680155.db2.gz KGPCVIRYCFHTKJ-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000161608040 618700092 /nfs/dbraw/zinc/70/00/92/618700092.db2.gz IQLZLUASRARMKJ-LBPRGKRZSA-N 2 2 281.831 3.260 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1 ZINC000925679009 619127742 /nfs/dbraw/zinc/12/77/42/619127742.db2.gz HBTGIVYUFOSJBE-YOEHRIQHSA-N 2 2 283.419 3.037 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccccc1 ZINC000925690748 619139985 /nfs/dbraw/zinc/13/99/85/619139985.db2.gz GKKKTFQPRDUPBH-XGWTYTTDSA-N 2 2 284.378 3.360 20 0 CGADLP CC[C@H](OCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925714182 619159757 /nfs/dbraw/zinc/15/97/57/619159757.db2.gz WJEZORUPYGKTML-DLBZAZTESA-N 2 2 288.435 3.029 20 0 CGADLP Cc1nc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)sc1C ZINC000893534793 619208587 /nfs/dbraw/zinc/20/85/87/619208587.db2.gz PDDYJNOIRSUHOJ-GFCCVEGCSA-N 2 2 281.469 3.114 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cscc1Cl ZINC000925773612 619234990 /nfs/dbraw/zinc/23/49/90/619234990.db2.gz ZIYZOFFYOHHFEJ-VXGBXAGGSA-N 2 2 258.818 3.151 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370396 619244857 /nfs/dbraw/zinc/24/48/57/619244857.db2.gz FRGVYLLJEPTUKH-SJORKVTESA-N 2 2 296.499 3.434 20 0 CGADLP CCc1cc(NC2CC[NH+](C3CCC3)CC2)nc(CC)[nH+]1 ZINC000894108467 619376936 /nfs/dbraw/zinc/37/69/36/619376936.db2.gz UAIFORRWRNVCGJ-UHFFFAOYSA-N 2 2 288.439 3.030 20 0 CGADLP Cc1cc(NCc2ccc3c[nH+]cn3c2)nc(C2CCC2)[nH+]1 ZINC000894159356 619396034 /nfs/dbraw/zinc/39/60/34/619396034.db2.gz VILUKLORYGHZJK-UHFFFAOYSA-N 2 2 293.374 3.312 20 0 CGADLP Cc1ncoc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000894212075 619427248 /nfs/dbraw/zinc/42/72/48/619427248.db2.gz XTACLBBFFPNMTJ-UHFFFAOYSA-N 2 2 291.439 3.117 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1C(F)F ZINC000894548154 619573207 /nfs/dbraw/zinc/57/32/07/619573207.db2.gz XKZMHUNCSKZHLU-SNVBAGLBSA-N 2 2 295.308 3.134 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCO2 ZINC000262057389 619641518 /nfs/dbraw/zinc/64/15/18/619641518.db2.gz DQGQFUJIZQKMMC-UVBJJODRSA-N 2 2 296.370 3.211 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCC23CCC3)CC1 ZINC000895111829 619735814 /nfs/dbraw/zinc/73/58/14/619735814.db2.gz LLINNUKZCMVKDD-BZUAXINKSA-N 2 2 285.435 3.491 20 0 CGADLP C[C@@H](CC[NH2+]Cc1c(Cl)ccc2cccnc21)[NH+](C)C ZINC000895296240 619799392 /nfs/dbraw/zinc/79/93/92/619799392.db2.gz CUUYBPAXVLCDGQ-LBPRGKRZSA-N 2 2 291.826 3.318 20 0 CGADLP CCc1cc(N2CCC(Nc3cccc[nH+]3)CC2)cc[nH+]1 ZINC000895351693 619810319 /nfs/dbraw/zinc/81/03/19/619810319.db2.gz ZMISTSAJHAZNOC-UHFFFAOYSA-N 2 2 282.391 3.120 20 0 CGADLP COc1cccc(C)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672810 619869810 /nfs/dbraw/zinc/86/98/10/619869810.db2.gz ZMOYLTTZPGWQSX-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CCC(CC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895711315 619873701 /nfs/dbraw/zinc/87/37/01/619873701.db2.gz NUSARPBLQBZABH-MRXNPFEDSA-N 2 2 257.381 3.403 20 0 CGADLP CCc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896195495 619964699 /nfs/dbraw/zinc/96/46/99/619964699.db2.gz LRHXSSDSCZSVSW-UHFFFAOYSA-N 2 2 285.391 3.314 20 0 CGADLP Clc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054303 620289657 /nfs/dbraw/zinc/28/96/57/620289657.db2.gz XQCPRILEFKFIFL-UHFFFAOYSA-N 2 2 264.800 3.056 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000898313437 620510654 /nfs/dbraw/zinc/51/06/54/620510654.db2.gz VMVIOFKUNWSQED-OWCLPIDISA-N 2 2 284.488 3.146 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCC2(CCC2)O1 ZINC000927010482 620560471 /nfs/dbraw/zinc/56/04/71/620560471.db2.gz LEVATOXCWPQNRA-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCCC2(CCC2)O1 ZINC000927010482 620560473 /nfs/dbraw/zinc/56/04/73/620560473.db2.gz LEVATOXCWPQNRA-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927108568 620577700 /nfs/dbraw/zinc/57/77/00/620577700.db2.gz LLHDYDMCSOKPIU-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927108568 620577701 /nfs/dbraw/zinc/57/77/01/620577701.db2.gz LLHDYDMCSOKPIU-NVXWUHKLSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109972 620577974 /nfs/dbraw/zinc/57/79/74/620577974.db2.gz PHEXOOYDFQZDEA-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927109972 620577977 /nfs/dbraw/zinc/57/79/77/620577977.db2.gz PHEXOOYDFQZDEA-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000902300106 621244677 /nfs/dbraw/zinc/24/46/77/621244677.db2.gz LZJUVXQZPHNVMU-UHFFFAOYSA-N 2 2 284.407 3.024 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Oc2ccccc2)cn1 ZINC000902405541 621308437 /nfs/dbraw/zinc/30/84/37/621308437.db2.gz IQBROSVSTZEOSO-ZDUSSCGKSA-N 2 2 283.375 3.016 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1 ZINC000902405191 621308593 /nfs/dbraw/zinc/30/85/93/621308593.db2.gz JMAZMRFHCWKMAS-HUUCEWRRSA-N 2 2 282.378 3.204 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000902434763 621316990 /nfs/dbraw/zinc/31/69/90/621316990.db2.gz OWIXYDYYJWOGSR-CKCNXQLGSA-N 2 2 280.362 3.025 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000902413464 621323422 /nfs/dbraw/zinc/32/34/22/621323422.db2.gz LVZPMZYTYRRDTQ-NSHDSACASA-N 2 2 271.191 3.062 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2sccc21 ZINC000902469855 621340678 /nfs/dbraw/zinc/34/06/78/621340678.db2.gz RTNSQGQVVBFNRA-IKOPJOCTSA-N 2 2 262.422 3.169 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902470744 621341630 /nfs/dbraw/zinc/34/16/30/621341630.db2.gz GJLMBCMTAOPTGE-YLFCFFPRSA-N 2 2 258.409 3.256 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000902486289 621354457 /nfs/dbraw/zinc/35/44/57/621354457.db2.gz CZGRZMNJLPHQGG-NVXWUHKLSA-N 2 2 298.434 3.055 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000902785490 621431345 /nfs/dbraw/zinc/43/13/45/621431345.db2.gz FYGQLPGJLRABRZ-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1CC1 ZINC000902785490 621431353 /nfs/dbraw/zinc/43/13/53/621431353.db2.gz FYGQLPGJLRABRZ-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902915947 621490339 /nfs/dbraw/zinc/49/03/39/621490339.db2.gz BKCRJIDQNKZTQA-ZDUSSCGKSA-N 2 2 267.376 3.466 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902962916 621507526 /nfs/dbraw/zinc/50/75/26/621507526.db2.gz BZSVJKKYAQIXJO-DAYGRLMNSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902995676 621521761 /nfs/dbraw/zinc/52/17/61/621521761.db2.gz DGYAGXOWUCNZOG-KSSFIOAISA-N 2 2 299.418 3.074 20 0 CGADLP CO[C@@](C)(C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902997784 621522849 /nfs/dbraw/zinc/52/28/49/621522849.db2.gz ZZRLDGKEOVSGBE-KSSFIOAISA-N 2 2 299.418 3.338 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864319 621822032 /nfs/dbraw/zinc/82/20/32/621822032.db2.gz IFCVRUHMYKWVIX-LJQANCHMSA-N 2 2 296.414 3.047 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903864319 621822035 /nfs/dbraw/zinc/82/20/35/621822035.db2.gz IFCVRUHMYKWVIX-LJQANCHMSA-N 2 2 296.414 3.047 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1(c2ccccc2Cl)CCC1)CC(F)F ZINC000903932632 621834604 /nfs/dbraw/zinc/83/46/04/621834604.db2.gz ULTIPOLCVANRGM-SNVBAGLBSA-N 2 2 288.769 3.291 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)F ZINC000904333602 621908915 /nfs/dbraw/zinc/90/89/15/621908915.db2.gz CNPPECBEJVVDDG-MRXNPFEDSA-N 2 2 298.352 3.339 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1C(F)F ZINC000904333602 621908923 /nfs/dbraw/zinc/90/89/23/621908923.db2.gz CNPPECBEJVVDDG-MRXNPFEDSA-N 2 2 298.352 3.339 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353650 621911178 /nfs/dbraw/zinc/91/11/78/621911178.db2.gz PXSGWIUAOZLMOT-LJQANCHMSA-N 3 2 297.446 3.058 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351034 621911508 /nfs/dbraw/zinc/91/15/08/621911508.db2.gz SVSFFCKTSSUMDU-MRXNPFEDSA-N 2 2 298.352 3.339 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1C(F)F ZINC000904351034 621911511 /nfs/dbraw/zinc/91/15/11/621911511.db2.gz SVSFFCKTSSUMDU-MRXNPFEDSA-N 2 2 298.352 3.339 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876955731 622870577 /nfs/dbraw/zinc/87/05/77/622870577.db2.gz BRJGTXKASXJFRH-QWRGUYRKSA-N 2 2 290.238 3.081 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210148 623820178 /nfs/dbraw/zinc/82/01/78/623820178.db2.gz MNXINEJSMFBVOV-SJORKVTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210148 623820185 /nfs/dbraw/zinc/82/01/85/623820185.db2.gz MNXINEJSMFBVOV-SJORKVTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210035 623820288 /nfs/dbraw/zinc/82/02/88/623820288.db2.gz MNXINEJSMFBVOV-DLBZAZTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCO2 ZINC000153210035 623820292 /nfs/dbraw/zinc/82/02/92/623820292.db2.gz MNXINEJSMFBVOV-DLBZAZTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@H](C)C1 ZINC000153616991 623984194 /nfs/dbraw/zinc/98/41/94/623984194.db2.gz GHJPHBVYKHDNHV-RHSMWYFYSA-N 2 2 287.451 3.211 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@H](C)C1 ZINC000153616991 623984227 /nfs/dbraw/zinc/98/42/27/623984227.db2.gz GHJPHBVYKHDNHV-RHSMWYFYSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H](C)C1 ZINC000153616991 623984238 /nfs/dbraw/zinc/98/42/38/623984238.db2.gz GHJPHBVYKHDNHV-RHSMWYFYSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H](C)C1 ZINC000153616991 623984258 /nfs/dbraw/zinc/98/42/58/623984258.db2.gz GHJPHBVYKHDNHV-RHSMWYFYSA-N 2 2 287.451 3.211 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000921794476 625877949 /nfs/dbraw/zinc/87/79/49/625877949.db2.gz MQOWDLMHTVMYKK-HZSPNIEDSA-N 2 2 279.453 3.024 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000766273084 627310243 /nfs/dbraw/zinc/31/02/43/627310243.db2.gz NCIPQZMCEQPDFB-RHSMWYFYSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC)cc1 ZINC000766273084 627310244 /nfs/dbraw/zinc/31/02/44/627310244.db2.gz NCIPQZMCEQPDFB-RHSMWYFYSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000771388927 627705743 /nfs/dbraw/zinc/70/57/43/627705743.db2.gz PVXGEYWXTUVFAN-GOEBONIOSA-N 2 2 285.391 3.092 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C(C)C)cc1 ZINC000774444539 627991093 /nfs/dbraw/zinc/99/10/93/627991093.db2.gz SBJHQXBQOHNBBH-QAPCUYQASA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C(C)C)cc1 ZINC000774444539 627991095 /nfs/dbraw/zinc/99/10/95/627991095.db2.gz SBJHQXBQOHNBBH-QAPCUYQASA-N 2 2 290.451 3.466 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777609883 628288482 /nfs/dbraw/zinc/28/84/82/628288482.db2.gz GRUYMYFGBCSFBI-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777613416 628288722 /nfs/dbraw/zinc/28/87/22/628288722.db2.gz RRCPQACPASIACD-UHFFFAOYSA-N 2 2 264.388 3.119 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCc2ccccc21 ZINC000780297005 628479268 /nfs/dbraw/zinc/47/92/68/628479268.db2.gz ICDNONVIFVHFJQ-KSZLIROESA-N 2 2 284.447 3.275 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCc2ccccc21 ZINC000780297005 628479269 /nfs/dbraw/zinc/47/92/69/628479269.db2.gz ICDNONVIFVHFJQ-KSZLIROESA-N 2 2 284.447 3.275 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCc2ccccc21 ZINC000780297005 628479270 /nfs/dbraw/zinc/47/92/70/628479270.db2.gz ICDNONVIFVHFJQ-KSZLIROESA-N 2 2 284.447 3.275 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCc2ccccc21 ZINC000780297005 628479273 /nfs/dbraw/zinc/47/92/73/628479273.db2.gz ICDNONVIFVHFJQ-KSZLIROESA-N 2 2 284.447 3.275 20 0 CGADLP COCCC1(C[NH2+]C[C@@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000780510843 628494744 /nfs/dbraw/zinc/49/47/44/628494744.db2.gz JVGOURKNMNUKQG-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000788587924 629066253 /nfs/dbraw/zinc/06/62/53/629066253.db2.gz COXMBVZBFCOMPG-UHFFFAOYSA-N 2 2 287.451 3.429 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049637 629180318 /nfs/dbraw/zinc/18/03/18/629180318.db2.gz PADHCSQEHGKMGC-INIZCTEOSA-N 2 2 260.425 3.038 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790049637 629180321 /nfs/dbraw/zinc/18/03/21/629180321.db2.gz PADHCSQEHGKMGC-INIZCTEOSA-N 2 2 260.425 3.038 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806151500 629216965 /nfs/dbraw/zinc/21/69/65/629216965.db2.gz GGOATSUPWZZNQK-YJBOKZPZSA-N 2 2 287.451 3.429 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793233498 629433175 /nfs/dbraw/zinc/43/31/75/629433175.db2.gz UFWGHFMDOYZQTC-RSUZKEPVSA-N 2 2 290.373 3.180 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000863481512 629586525 /nfs/dbraw/zinc/58/65/25/629586525.db2.gz FUWZYKSIQAMHOX-QGZVFWFLSA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000865532572 630172017 /nfs/dbraw/zinc/17/20/17/630172017.db2.gz HQJBEWHLYLJXPR-HNNXBMFYSA-N 2 2 299.418 3.165 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800980390 630317094 /nfs/dbraw/zinc/31/70/94/630317094.db2.gz YROOGJYXYQHWEP-BMGDILEWSA-N 2 2 285.435 3.039 20 0 CGADLP CC(C)(C)SCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000801926812 630368632 /nfs/dbraw/zinc/36/86/32/630368632.db2.gz WHZAVIZLRFFJOA-UHFFFAOYSA-N 2 2 267.442 3.121 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000802303339 630394901 /nfs/dbraw/zinc/39/49/01/630394901.db2.gz FBMPKQGFMPTPKA-CYBMUJFWSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000802303339 630394905 /nfs/dbraw/zinc/39/49/05/630394905.db2.gz FBMPKQGFMPTPKA-CYBMUJFWSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767685 630804140 /nfs/dbraw/zinc/80/41/40/630804140.db2.gz RDIOZTITJQGZGL-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cncc3ccccc32)C1 ZINC000809767685 630804142 /nfs/dbraw/zinc/80/41/42/630804142.db2.gz RDIOZTITJQGZGL-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cncc3ccccc32)C1 ZINC000809767685 630804144 /nfs/dbraw/zinc/80/41/44/630804144.db2.gz RDIOZTITJQGZGL-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cncc3ccccc32)C1 ZINC000809767685 630804148 /nfs/dbraw/zinc/80/41/48/630804148.db2.gz RDIOZTITJQGZGL-APWZRJJASA-N 2 2 295.430 3.151 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000817887801 632229010 /nfs/dbraw/zinc/22/90/10/632229010.db2.gz FEZJZNGGGXMXBQ-IRXDYDNUSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccnc1Cl ZINC000817959495 632254638 /nfs/dbraw/zinc/25/46/38/632254638.db2.gz RTOCYTFZKVWBEM-SMDDNHRTSA-N 2 2 281.831 3.293 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000817981746 632272033 /nfs/dbraw/zinc/27/20/33/632272033.db2.gz NJRNXYXBVSUBMZ-RDTXWAMCSA-N 2 2 298.434 3.040 20 0 CGADLP c1cn2c(cccc2CNc2ccc3c([nH+]2)CCCC3)[nH+]1 ZINC000871865028 633902081 /nfs/dbraw/zinc/90/20/81/633902081.db2.gz DDKITZMQQFBVOK-UHFFFAOYSA-N 2 2 278.359 3.220 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(O)ccc2F)C1 ZINC000872034931 633954707 /nfs/dbraw/zinc/95/47/07/633954707.db2.gz RWYULNUPVKTFMY-ZIAGYGMSSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(O)ccc2F)C1 ZINC000872034931 633954711 /nfs/dbraw/zinc/95/47/11/633954711.db2.gz RWYULNUPVKTFMY-ZIAGYGMSSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC(C)(C)C1 ZINC000872064546 633986714 /nfs/dbraw/zinc/98/67/14/633986714.db2.gz ZSXRYJMQVWRHRH-IHRRRGAJSA-N 2 2 261.413 3.002 20 0 CGADLP FC(F)(F)c1coc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000872142506 634064595 /nfs/dbraw/zinc/06/45/95/634064595.db2.gz YWPKLCQUJJWMRL-UHFFFAOYSA-N 2 2 288.313 3.015 20 0 CGADLP FC(F)(F)c1coc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000872142506 634064603 /nfs/dbraw/zinc/06/46/03/634064603.db2.gz YWPKLCQUJJWMRL-UHFFFAOYSA-N 2 2 288.313 3.015 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2OCC)C1 ZINC000873020491 634231913 /nfs/dbraw/zinc/23/19/13/634231913.db2.gz UEILHOSUJBEZHP-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2OCC)C1 ZINC000873020491 634231916 /nfs/dbraw/zinc/23/19/16/634231916.db2.gz UEILHOSUJBEZHP-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CC1(C)C[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C(C)(C)O1 ZINC000878172742 635392974 /nfs/dbraw/zinc/39/29/74/635392974.db2.gz LRXOHSXOCZPGON-CQSZACIVSA-N 2 2 291.439 3.114 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC(C)(C)OC1(C)C ZINC000878177691 635397565 /nfs/dbraw/zinc/39/75/65/635397565.db2.gz ZFVTXEJCCCOGES-XHSDSOJGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC(C)(C)OC1(C)C ZINC000878177691 635397574 /nfs/dbraw/zinc/39/75/74/635397574.db2.gz ZFVTXEJCCCOGES-XHSDSOJGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC(C)(C)OC1(C)C ZINC000878177691 635397580 /nfs/dbraw/zinc/39/75/80/635397580.db2.gz ZFVTXEJCCCOGES-XHSDSOJGSA-N 2 2 294.483 3.139 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC(C)(C)OC1(C)C ZINC000878177691 635397591 /nfs/dbraw/zinc/39/75/91/635397591.db2.gz ZFVTXEJCCCOGES-XHSDSOJGSA-N 2 2 294.483 3.139 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1nc2ccccc2s1 ZINC000844220993 635832987 /nfs/dbraw/zinc/83/29/87/635832987.db2.gz GNIIQMBCUZFTIN-YHWZYXNKSA-N 2 2 287.432 3.141 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2s1 ZINC000844220993 635832990 /nfs/dbraw/zinc/83/29/90/635832990.db2.gz GNIIQMBCUZFTIN-YHWZYXNKSA-N 2 2 287.432 3.141 20 0 CGADLP CC1(C)CO[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880569900 636022859 /nfs/dbraw/zinc/02/28/59/636022859.db2.gz LCIOTQQZOOZHMX-IAGOWNOFSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@@H]1C[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000880569999 636022870 /nfs/dbraw/zinc/02/28/70/636022870.db2.gz RPQIUPQARPQXSN-RYRKJORJSA-N 2 2 299.418 3.029 20 0 CGADLP FC(F)(F)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571641 636023575 /nfs/dbraw/zinc/02/35/75/636023575.db2.gz RWDWJJIEMXASGM-CYBMUJFWSA-N 2 2 283.297 3.166 20 0 CGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCC1 ZINC000880570635 636023794 /nfs/dbraw/zinc/02/37/94/636023794.db2.gz XJSMTDDTIXILOB-MSOLQXFVSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880570931 636024155 /nfs/dbraw/zinc/02/41/55/636024155.db2.gz ZWHYWRHIVKPTOJ-OIISXLGYSA-N 2 2 269.392 3.403 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000846176006 636153887 /nfs/dbraw/zinc/15/38/87/636153887.db2.gz BKBOWEUSAIBBAZ-ZDUSSCGKSA-N 2 2 281.444 3.174 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000846176006 636153890 /nfs/dbraw/zinc/15/38/90/636153890.db2.gz BKBOWEUSAIBBAZ-ZDUSSCGKSA-N 2 2 281.444 3.174 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000846177704 636154158 /nfs/dbraw/zinc/15/41/58/636154158.db2.gz QEKHAAPTUDDSNV-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000846177704 636154160 /nfs/dbraw/zinc/15/41/60/636154160.db2.gz QEKHAAPTUDDSNV-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)[NH+](CCSCc1ccc[nH+]c1N)C(C)C ZINC000882150354 636271037 /nfs/dbraw/zinc/27/10/37/636271037.db2.gz VJLGASWTQULODN-UHFFFAOYSA-N 2 2 267.442 3.016 20 0 CGADLP CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848514951 636583468 /nfs/dbraw/zinc/58/34/68/636583468.db2.gz UTUWNEAKNUQKAL-DOTOQJQBSA-N 2 2 282.472 3.188 20 0 CGADLP CCC[C@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000883256655 636625316 /nfs/dbraw/zinc/62/53/16/636625316.db2.gz DYHDAEOANISIMP-HNNXBMFYSA-N 2 2 275.440 3.466 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1ccccc1-c1ccccc1 ZINC000850298873 637009393 /nfs/dbraw/zinc/00/93/93/637009393.db2.gz RHQUYHIKWFTRBD-HNNXBMFYSA-N 2 2 268.404 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850421390 637055103 /nfs/dbraw/zinc/05/51/03/637055103.db2.gz TUWRZUHVOSHJRQ-HOCLYGCPSA-N 2 2 297.402 3.235 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000885922468 637313655 /nfs/dbraw/zinc/31/36/55/637313655.db2.gz CESYBUOKTQJPTK-LUKYLMHMSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000885922468 637313662 /nfs/dbraw/zinc/31/36/62/637313662.db2.gz CESYBUOKTQJPTK-LUKYLMHMSA-N 2 2 282.472 3.187 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000885940082 637323118 /nfs/dbraw/zinc/32/31/18/637323118.db2.gz AIUVMUQTZVRAGU-DLBZAZTESA-N 2 2 299.418 3.310 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885977278 637340659 /nfs/dbraw/zinc/34/06/59/637340659.db2.gz GUXHAZMAQWGLAD-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885977278 637340666 /nfs/dbraw/zinc/34/06/66/637340666.db2.gz GUXHAZMAQWGLAD-DLBZAZTESA-N 2 2 294.483 3.332 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157661 637440468 /nfs/dbraw/zinc/44/04/68/637440468.db2.gz HXCFJCOXWBGGIO-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157661 637440473 /nfs/dbraw/zinc/44/04/73/637440473.db2.gz HXCFJCOXWBGGIO-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncc(F)c1 ZINC000222555825 637801799 /nfs/dbraw/zinc/80/17/99/637801799.db2.gz DMLZDJQBBAFKPG-DOMZBBRYSA-N 2 2 290.386 3.183 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223146561 637851018 /nfs/dbraw/zinc/85/10/18/637851018.db2.gz YYGFZDUFPPTIEV-YOEHRIQHSA-N 2 2 280.431 3.323 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684604 638387953 /nfs/dbraw/zinc/38/79/53/638387953.db2.gz LKPHFQXVQPOUGW-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccns1 ZINC000924684604 638387954 /nfs/dbraw/zinc/38/79/54/638387954.db2.gz LKPHFQXVQPOUGW-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925576719 638536043 /nfs/dbraw/zinc/53/60/43/638536043.db2.gz YILHVPFYEMDAGS-PDWMJMLSSA-N 2 2 298.430 3.177 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925607109 638544140 /nfs/dbraw/zinc/54/41/40/638544140.db2.gz NSTLZUGVYWJYBO-BWACUDIHSA-N 2 2 287.407 3.073 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000925665426 638562359 /nfs/dbraw/zinc/56/23/59/638562359.db2.gz KJCYUBVRNLJFDY-CMPLNLGQSA-N 2 2 274.330 3.253 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccc1 ZINC000925693165 638571158 /nfs/dbraw/zinc/57/11/58/638571158.db2.gz OUXZCUDBDGBTCQ-SJKOYZFVSA-N 2 2 267.376 3.155 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CC(Nc2ccccc2)C1)c1ccccc1 ZINC000925732260 638585457 /nfs/dbraw/zinc/58/54/57/638585457.db2.gz PGVVKRUTZBJXDS-UJPJLTBQSA-N 2 2 295.430 3.308 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785833 638614494 /nfs/dbraw/zinc/61/44/94/638614494.db2.gz XSQCYVKUTWCDNN-LALPHHSUSA-N 2 2 264.438 3.057 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C)C(C)(C)C2)ccc1[NH+](C)C ZINC000858398936 638703924 /nfs/dbraw/zinc/70/39/24/638703924.db2.gz MVRZSPPJSUAHSM-HNNXBMFYSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1[NH+](C)C ZINC000858398936 638703927 /nfs/dbraw/zinc/70/39/27/638703927.db2.gz MVRZSPPJSUAHSM-HNNXBMFYSA-N 2 2 275.440 3.346 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223725 638746292 /nfs/dbraw/zinc/74/62/92/638746292.db2.gz CXYMRFQXAUZDBX-MCIONIFRSA-N 2 2 261.413 3.002 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](C1CCC1)C1CCCC1)CC2 ZINC000926229266 638747042 /nfs/dbraw/zinc/74/70/42/638747042.db2.gz LOBFKVAPBBMEMK-DOTOQJQBSA-N 2 2 273.424 3.146 20 0 CGADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926367945 638767033 /nfs/dbraw/zinc/76/70/33/638767033.db2.gz XMSRWBFDVLQPOE-CABCVRRESA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926367945 638767034 /nfs/dbraw/zinc/76/70/34/638767034.db2.gz XMSRWBFDVLQPOE-CABCVRRESA-N 2 2 286.410 3.418 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC12CCSCC2 ZINC000926602818 638790650 /nfs/dbraw/zinc/79/06/50/638790650.db2.gz XVBMAACPPDCHDC-JYJNAYRXSA-N 2 2 294.508 3.126 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC12CCSCC2 ZINC000926602818 638790653 /nfs/dbraw/zinc/79/06/53/638790653.db2.gz XVBMAACPPDCHDC-JYJNAYRXSA-N 2 2 294.508 3.126 20 0 CGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746708 638806677 /nfs/dbraw/zinc/80/66/77/638806677.db2.gz SMLUVHZPBKBLBK-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746708 638806678 /nfs/dbraw/zinc/80/66/78/638806678.db2.gz SMLUVHZPBKBLBK-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876618 638820328 /nfs/dbraw/zinc/82/03/28/638820328.db2.gz APEYOROXKSZDNZ-QHEDDYRISA-N 2 2 294.508 3.267 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876618 638820329 /nfs/dbraw/zinc/82/03/29/638820329.db2.gz APEYOROXKSZDNZ-QHEDDYRISA-N 2 2 294.508 3.267 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC2(CCC2)O1 ZINC000929813242 638953677 /nfs/dbraw/zinc/95/36/77/638953677.db2.gz JRKDABMTULKTQD-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC2(CCC2)O1 ZINC000929813242 638953679 /nfs/dbraw/zinc/95/36/79/638953679.db2.gz JRKDABMTULKTQD-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC2(CCC2)O1 ZINC000929813242 638953681 /nfs/dbraw/zinc/95/36/81/638953681.db2.gz JRKDABMTULKTQD-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC2(CCC2)O1 ZINC000929813242 638953683 /nfs/dbraw/zinc/95/36/83/638953683.db2.gz JRKDABMTULKTQD-IXDOHACOSA-N 2 2 292.467 3.037 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000931352541 639139875 /nfs/dbraw/zinc/13/98/75/639139875.db2.gz OFVFOGULDGTIQG-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000159500499 640049567 /nfs/dbraw/zinc/04/95/67/640049567.db2.gz FOIZRNBCDXHTBG-RDJZCZTQSA-N 2 2 272.436 3.061 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000159500499 640049570 /nfs/dbraw/zinc/04/95/70/640049570.db2.gz FOIZRNBCDXHTBG-RDJZCZTQSA-N 2 2 272.436 3.061 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccoc1 ZINC000094868820 640804829 /nfs/dbraw/zinc/80/48/29/640804829.db2.gz YQCSPYBJMQTUHK-GXTWGEPZSA-N 2 2 261.369 3.242 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415139348 640859147 /nfs/dbraw/zinc/85/91/47/640859147.db2.gz RJGBWFCBUNHTPQ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415139348 640859148 /nfs/dbraw/zinc/85/91/48/640859148.db2.gz RJGBWFCBUNHTPQ-SFHVURJKSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc(-c2cc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC001155583859 805595537 /nfs/dbraw/zinc/59/55/37/805595537.db2.gz SGZKUZGYLPLXAY-IKGGRYGDSA-N 2 2 279.387 3.159 20 0 CGADLP CCC(CC)c1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250421859 805605833 /nfs/dbraw/zinc/60/58/33/805605833.db2.gz KXQHJQQPVSOGFT-UHFFFAOYSA-N 2 2 286.423 3.218 20 0 CGADLP CC(C)N(CCC[NH3+])c1[nH+]ccc2cc(Cl)ccc21 ZINC001156118043 805655158 /nfs/dbraw/zinc/65/51/58/805655158.db2.gz OTULOKWVJXSMNZ-UHFFFAOYSA-N 2 2 277.799 3.452 20 0 CGADLP CCCc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(C)[nH+]1 ZINC001156774040 805733102 /nfs/dbraw/zinc/73/31/02/805733102.db2.gz PWXXDRQPYLXYGM-UHFFFAOYSA-N 2 2 290.455 3.222 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC001252004211 805972405 /nfs/dbraw/zinc/97/24/05/805972405.db2.gz VQZLKINOVSTCFD-RTBURBONSA-N 2 2 298.430 3.003 20 0 CGADLP Cc1nc(N(C)C(C)(C)C[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001159055732 806037238 /nfs/dbraw/zinc/03/72/38/806037238.db2.gz RUTMXIRKKCGKQZ-UHFFFAOYSA-N 2 2 276.428 3.006 20 0 CGADLP Cc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(C)c1 ZINC001159262675 806069285 /nfs/dbraw/zinc/06/92/85/806069285.db2.gz VVMBHSQAUVQROU-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160257321 806244212 /nfs/dbraw/zinc/24/42/12/806244212.db2.gz XSMOZXPCAMNJCZ-OAHLLOKOSA-N 2 2 297.402 3.376 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1N ZINC001160265235 806246505 /nfs/dbraw/zinc/24/65/05/806246505.db2.gz MOOBBHVEFCEJFG-HNNXBMFYSA-N 2 2 296.418 3.258 20 0 CGADLP COc1cc[nH+]c(Nc2ccc(C[NH3+])cc2C(F)(F)F)c1 ZINC001160418191 806269816 /nfs/dbraw/zinc/26/98/16/806269816.db2.gz SMDVQICFDKMAFI-UHFFFAOYSA-N 2 2 297.280 3.311 20 0 CGADLP Cc1nc(NC2CC[NH+](CC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC001161213097 806358643 /nfs/dbraw/zinc/35/86/43/806358643.db2.gz PRLBQJSPXXCFKP-UHFFFAOYSA-N 2 2 290.455 3.324 20 0 CGADLP Cc1c[nH+]c(NCc2c[nH+]cn2CC2CCC2)cc1C ZINC001161535508 806389130 /nfs/dbraw/zinc/38/91/30/806389130.db2.gz CNOKNFHJWUBQBP-UHFFFAOYSA-N 2 2 270.380 3.307 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCc2ccccc2CC1 ZINC001254450436 806404734 /nfs/dbraw/zinc/40/47/34/806404734.db2.gz RNJFCBRGYXWISS-OAHLLOKOSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001254482228 806412655 /nfs/dbraw/zinc/41/26/55/806412655.db2.gz HVXFGBWAPRMTEN-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001254482228 806412663 /nfs/dbraw/zinc/41/26/63/806412663.db2.gz HVXFGBWAPRMTEN-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP COc1cc[nH+]c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC001161885228 806478634 /nfs/dbraw/zinc/47/86/34/806478634.db2.gz JNRSUMGJLDUNBZ-INIZCTEOSA-N 2 2 297.402 3.167 20 0 CGADLP COc1cc[nH+]c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001161885228 806478638 /nfs/dbraw/zinc/47/86/38/806478638.db2.gz JNRSUMGJLDUNBZ-INIZCTEOSA-N 2 2 297.402 3.167 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841036 806495404 /nfs/dbraw/zinc/49/54/04/806495404.db2.gz REUXHEOYFGMTHC-GOEBONIOSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC(F)(F)CC1 ZINC001254848713 806497146 /nfs/dbraw/zinc/49/71/46/806497146.db2.gz VDSWOYJNPGNFMR-CQSZACIVSA-N 2 2 286.410 3.276 20 0 CGADLP CC(C)(Cc1ccccc1F)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847169 806497157 /nfs/dbraw/zinc/49/71/57/806497157.db2.gz DVWDHZGHLASUTJ-MRXNPFEDSA-N 2 2 290.426 3.221 20 0 CGADLP CCCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(CCC)[nH+]1 ZINC001162391221 806573019 /nfs/dbraw/zinc/57/30/19/806573019.db2.gz AOLHFVFXRBNOOQ-GXTWGEPZSA-N 2 2 276.428 3.063 20 0 CGADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1ccc2c([nH+]1)CCCC2 ZINC001162811239 806668566 /nfs/dbraw/zinc/66/85/66/806668566.db2.gz UCLNMCPCZZJRMI-CYBMUJFWSA-N 2 2 295.377 3.007 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156260 798860859 /nfs/dbraw/zinc/86/08/59/798860859.db2.gz PLZQIKHUYSIJMG-ILXRZTDVSA-N 2 2 263.429 3.466 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccs1 ZINC000037156287 798861240 /nfs/dbraw/zinc/86/12/40/798861240.db2.gz GJWJWXGRHFPRDE-CYBMUJFWSA-N 2 2 263.410 3.149 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028872 798885150 /nfs/dbraw/zinc/88/51/50/798885150.db2.gz CBDBWESQGQMNIW-GJZGRUSLSA-N 2 2 264.413 3.065 20 0 CGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000309888637 799220732 /nfs/dbraw/zinc/22/07/32/799220732.db2.gz CSXGVUHVJDPGKQ-BZSNNMDCSA-N 2 2 293.414 3.404 20 0 CGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000309888637 799220735 /nfs/dbraw/zinc/22/07/35/799220735.db2.gz CSXGVUHVJDPGKQ-BZSNNMDCSA-N 2 2 293.414 3.404 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000380987281 799370960 /nfs/dbraw/zinc/37/09/60/799370960.db2.gz GVAPSQJFADMEKF-BARDWOONSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+]1CCCCC1 ZINC000382225714 799394389 /nfs/dbraw/zinc/39/43/89/799394389.db2.gz GEJBQZWJZTVQDB-LMPOIIKSSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(N2C[C@@H](C[NH3+])CC[C@H]2C)[nH+]c2ccccc12 ZINC000383699258 799407606 /nfs/dbraw/zinc/40/76/06/799407606.db2.gz APWJOFCXFVRDPE-ZIAGYGMSSA-N 2 2 269.392 3.107 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501306 799463077 /nfs/dbraw/zinc/46/30/77/799463077.db2.gz CCINKYQAEHYNBC-QLFBSQMISA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501306 799463081 /nfs/dbraw/zinc/46/30/81/799463081.db2.gz CCINKYQAEHYNBC-QLFBSQMISA-N 2 2 252.446 3.274 20 0 CGADLP CSCC1CCC([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000395171541 799502781 /nfs/dbraw/zinc/50/27/81/799502781.db2.gz WYZNYTIBCBKCKW-FHERZECASA-N 2 2 284.513 3.372 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255854284 806770585 /nfs/dbraw/zinc/77/05/85/806770585.db2.gz PJTJEJIACPNRNR-AWEZNQCLSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255854284 806770586 /nfs/dbraw/zinc/77/05/86/806770586.db2.gz PJTJEJIACPNRNR-AWEZNQCLSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255861120 806772501 /nfs/dbraw/zinc/77/25/01/806772501.db2.gz SIJGYCSFIAPWSD-CVEARBPZSA-N 2 2 292.442 3.467 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC001255950236 806793695 /nfs/dbraw/zinc/79/36/95/806793695.db2.gz FWZCLIWWRIUJNJ-CYBMUJFWSA-N 2 2 282.403 3.044 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001256080429 806814704 /nfs/dbraw/zinc/81/47/04/806814704.db2.gz VIOGYMMYIZOXSW-RHSMWYFYSA-N 2 2 262.441 3.268 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001256080429 806814712 /nfs/dbraw/zinc/81/47/12/806814712.db2.gz VIOGYMMYIZOXSW-RHSMWYFYSA-N 2 2 262.441 3.268 20 0 CGADLP C[NH2+]CC[N@H+](Cc1ccc(Cl)c2cccnc12)C(C)C ZINC000720759101 800265728 /nfs/dbraw/zinc/26/57/28/800265728.db2.gz BIPMTEGSUCIWLV-UHFFFAOYSA-N 2 2 291.826 3.318 20 0 CGADLP C[NH2+]CC[N@@H+](Cc1ccc(Cl)c2cccnc12)C(C)C ZINC000720759101 800265733 /nfs/dbraw/zinc/26/57/33/800265733.db2.gz BIPMTEGSUCIWLV-UHFFFAOYSA-N 2 2 291.826 3.318 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)C[C@@H](C)C1 ZINC000722390347 800320022 /nfs/dbraw/zinc/32/00/22/800320022.db2.gz LXAKVRNZWUNZIO-ITGUQSILSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H](C)C1 ZINC000722392262 800320146 /nfs/dbraw/zinc/32/01/46/800320146.db2.gz SIBIMGOYYFMPTD-BZPMIXESSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)C1 ZINC000722391841 800321324 /nfs/dbraw/zinc/32/13/24/800321324.db2.gz JJEBEQWBUGCLIA-BZPMIXESSA-N 2 2 281.469 3.119 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)n1 ZINC000722408899 800323562 /nfs/dbraw/zinc/32/35/62/800323562.db2.gz QJEWKBJUTLYBJH-GJZGRUSLSA-N 2 2 293.480 3.263 20 0 CGADLP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001163778557 806824219 /nfs/dbraw/zinc/82/42/19/806824219.db2.gz JHWSCDLPNKWVBK-AWEZNQCLSA-N 2 2 285.391 3.023 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)C2CCC(F)(F)CC2)c(C)[nH+]1 ZINC000724775219 800366399 /nfs/dbraw/zinc/36/63/99/800366399.db2.gz GWXZVDOUUFWXCC-SECBINFHSA-N 2 2 271.355 3.330 20 0 CGADLP COc1cccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)c1 ZINC001256143117 806833028 /nfs/dbraw/zinc/83/30/28/806833028.db2.gz AYFKVIPWWDMOPQ-MRXNPFEDSA-N 2 2 290.451 3.092 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544632 806912940 /nfs/dbraw/zinc/91/29/40/806912940.db2.gz ZTSDCBVZKLJSMU-LMSBXDPUSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544632 806912947 /nfs/dbraw/zinc/91/29/47/806912947.db2.gz ZTSDCBVZKLJSMU-LMSBXDPUSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544632 806912950 /nfs/dbraw/zinc/91/29/50/806912950.db2.gz ZTSDCBVZKLJSMU-LMSBXDPUSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H](F)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544632 806912955 /nfs/dbraw/zinc/91/29/55/806912955.db2.gz ZTSDCBVZKLJSMU-LMSBXDPUSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256558005 806915199 /nfs/dbraw/zinc/91/51/99/806915199.db2.gz PSOLFGODBNKVML-CZUORRHYSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256558005 806915201 /nfs/dbraw/zinc/91/52/01/806915201.db2.gz PSOLFGODBNKVML-CZUORRHYSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@H](Cc1ccncc1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001256730297 806962194 /nfs/dbraw/zinc/96/21/94/806962194.db2.gz CQIPGUWTPHTJCV-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cscc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116209644 802311724 /nfs/dbraw/zinc/31/17/24/802311724.db2.gz VDRMSDYJVHHGQS-UHFFFAOYSA-N 2 2 298.371 3.198 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC001116288099 802323786 /nfs/dbraw/zinc/32/37/86/802323786.db2.gz CHWAFWNZQMWVIH-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC001116288099 802323795 /nfs/dbraw/zinc/32/37/95/802323795.db2.gz CHWAFWNZQMWVIH-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256784429 806976959 /nfs/dbraw/zinc/97/69/59/806976959.db2.gz CUZYAPIYABPDQQ-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256784429 806976961 /nfs/dbraw/zinc/97/69/61/806976961.db2.gz CUZYAPIYABPDQQ-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1cccc2c(C)cc(N3CC[C@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001165236527 806978962 /nfs/dbraw/zinc/97/89/62/806978962.db2.gz JOEQHJPNQNKVBU-LJQANCHMSA-N 2 2 295.430 3.432 20 0 CGADLP FC1(F)CC12CC([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC001118423786 802566310 /nfs/dbraw/zinc/56/63/10/802566310.db2.gz OWFZFJGRXRUGEB-UHFFFAOYSA-N 2 2 295.358 3.211 20 0 CGADLP C[NH+](C)Cc1c(F)cc(/C=C/C2CC[NH2+]CC2)cc1F ZINC001243896662 803066518 /nfs/dbraw/zinc/06/65/18/803066518.db2.gz MWFBOIWHTRCIHT-ONEGZZNKSA-N 2 2 280.362 3.039 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(F)cc1Cl ZINC001206811965 813443585 /nfs/dbraw/zinc/44/35/85/813443585.db2.gz XIYLUTZFPDJBOA-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(F)cc1Cl ZINC001206811965 813443587 /nfs/dbraw/zinc/44/35/87/813443587.db2.gz XIYLUTZFPDJBOA-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP CNc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244828828 803539969 /nfs/dbraw/zinc/53/99/69/803539969.db2.gz ONGYVCVPBQLDHF-MRXNPFEDSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244828828 803539971 /nfs/dbraw/zinc/53/99/71/803539971.db2.gz ONGYVCVPBQLDHF-MRXNPFEDSA-N 2 2 299.393 3.067 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC001136932918 803660964 /nfs/dbraw/zinc/66/09/64/803660964.db2.gz YESNFAIJMQHHCX-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC001136932918 803660967 /nfs/dbraw/zinc/66/09/67/803660967.db2.gz YESNFAIJMQHHCX-UHFFFAOYSA-N 2 2 295.858 3.431 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137060595 803678427 /nfs/dbraw/zinc/67/84/27/803678427.db2.gz XCTUNIXJFGFMOI-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137060595 803678430 /nfs/dbraw/zinc/67/84/30/803678430.db2.gz XCTUNIXJFGFMOI-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP Cc1csc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001137158423 803691380 /nfs/dbraw/zinc/69/13/80/803691380.db2.gz RRIQXKCJVKHCES-UHFFFAOYSA-N 2 2 296.455 3.455 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137376390 803724668 /nfs/dbraw/zinc/72/46/68/803724668.db2.gz FFBFXAZRWWMJKV-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137376390 803724672 /nfs/dbraw/zinc/72/46/72/803724672.db2.gz FFBFXAZRWWMJKV-UHFFFAOYSA-N 2 2 277.456 3.228 20 0 CGADLP CCOc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001138102575 803855500 /nfs/dbraw/zinc/85/55/00/803855500.db2.gz SDTAQTPEEIRHON-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CCOc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001138102575 803855509 /nfs/dbraw/zinc/85/55/09/803855509.db2.gz SDTAQTPEEIRHON-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246078056 804115459 /nfs/dbraw/zinc/11/54/59/804115459.db2.gz ZLDGGQGZTLLZLK-LZQZEXGQSA-N 2 2 280.415 3.310 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088194 804120527 /nfs/dbraw/zinc/12/05/27/804120527.db2.gz SASCRHBIVFQOSG-IXDOHACOSA-N 2 2 278.415 3.078 20 0 CGADLP CCCCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087828 804120749 /nfs/dbraw/zinc/12/07/49/804120749.db2.gz QAWQGONNCAAUGF-SSHXOBKSSA-N 2 2 270.436 3.415 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246108235 804140456 /nfs/dbraw/zinc/14/04/56/804140456.db2.gz IQXQTQNEIOOQKO-FPQWYMTMSA-N 2 2 290.426 3.078 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@@]2(F)CCCC[NH2+]C2)cc1 ZINC001246114571 804146180 /nfs/dbraw/zinc/14/61/80/804146180.db2.gz QADMHOIOYLIWER-FUHWJXTLSA-N 2 2 292.442 3.388 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246140995 804163954 /nfs/dbraw/zinc/16/39/54/804163954.db2.gz JEHFUZFWBCPUDT-DZUCGIPZSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]C(C)(C)C2)c1Cl ZINC001246158145 804173779 /nfs/dbraw/zinc/17/37/79/804173779.db2.gz GUVZBTZFLPCMGE-NSHDSACASA-N 2 2 284.806 3.408 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC001246167078 804182781 /nfs/dbraw/zinc/18/27/81/804182781.db2.gz BSUZFGHCBLRHAV-RDTXWAMCSA-N 2 2 272.436 3.358 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246168682 804184160 /nfs/dbraw/zinc/18/41/60/804184160.db2.gz FJEDFKLXNPQEIU-IBGZPJMESA-N 2 2 298.405 3.062 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc2ccccc2c1 ZINC001246170717 804185618 /nfs/dbraw/zinc/18/56/18/804185618.db2.gz JFLJINMIZINOML-IGCXYCKISA-N 2 2 254.377 3.241 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246232600 804224637 /nfs/dbraw/zinc/22/46/37/804224637.db2.gz KAIAJSWFIXRLCB-MNOVXSKESA-N 2 2 288.769 3.238 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)ccc2s1 ZINC001246238666 804230075 /nfs/dbraw/zinc/23/00/75/804230075.db2.gz HCWZZNBQLSLQSI-AWEZNQCLSA-N 2 2 260.406 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccc2ccccc2c1 ZINC001246243460 804234802 /nfs/dbraw/zinc/23/48/02/804234802.db2.gz JFLJINMIZINOML-OGHNNQOOSA-N 2 2 254.377 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246270623 804248218 /nfs/dbraw/zinc/24/82/18/804248218.db2.gz OZRYFGYLQGVWLP-COXVUDFISA-N 2 2 258.409 3.258 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246274598 804252049 /nfs/dbraw/zinc/25/20/49/804252049.db2.gz XZLFZZABVGDTIZ-JKSUJKDBSA-N 2 2 264.388 3.399 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C2 ZINC001246278453 804255040 /nfs/dbraw/zinc/25/50/40/804255040.db2.gz HIJWDQAPJQNITQ-HKUYNNGSSA-N 2 2 280.415 3.142 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246324615 804282604 /nfs/dbraw/zinc/28/26/04/804282604.db2.gz GDOCYJPQGPCSLE-GOEBONIOSA-N 2 2 292.492 3.453 20 0 CGADLP CCCCCC[C@@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337649 804290678 /nfs/dbraw/zinc/29/06/78/804290678.db2.gz URFFDAFLMXGRGL-ZIAGYGMSSA-N 2 2 258.475 3.030 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335772 804290703 /nfs/dbraw/zinc/29/07/03/804290703.db2.gz ICRWEIRKOOAXKD-SJORKVTESA-N 2 2 292.492 3.083 20 0 CGADLP Cc1cccc(C2([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CCC2)c1 ZINC001246414912 804326269 /nfs/dbraw/zinc/32/62/69/804326269.db2.gz VDBXTATZQJPSCQ-ZBFHGGJFSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2CC[NH2+]C2)CCC(F)(F)CC1 ZINC001246455844 804338167 /nfs/dbraw/zinc/33/81/67/804338167.db2.gz ILIMWKFIMXWBJY-CQSZACIVSA-N 2 2 294.389 3.351 20 0 CGADLP CC[C@@]1([NH2+][C@H](C)CSc2ccc(F)cc2)CC[NH2+]C1 ZINC001246459395 804339397 /nfs/dbraw/zinc/33/93/97/804339397.db2.gz JYLJGMXQSKLGSU-IUODEOHRSA-N 2 2 282.428 3.038 20 0 CGADLP CC(C)[NH2+]CC[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246461427 804341856 /nfs/dbraw/zinc/34/18/56/804341856.db2.gz PUWDLJYSTDKXFY-GFCCVEGCSA-N 2 2 286.872 3.408 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C[NH2+]1 ZINC001246469141 804347339 /nfs/dbraw/zinc/34/73/39/804347339.db2.gz OZRYFGYLQGVWLP-JQFCIGGWSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001140028266 804356060 /nfs/dbraw/zinc/35/60/60/804356060.db2.gz PTLUJFYFMZGIEW-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](F)C1 ZINC001140028266 804356069 /nfs/dbraw/zinc/35/60/69/804356069.db2.gz PTLUJFYFMZGIEW-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CC(C)(C)C2)CC[NH2+]1 ZINC001246523536 804378739 /nfs/dbraw/zinc/37/87/39/804378739.db2.gz NKNNRNSZOURRTI-GDBMZVCRSA-N 2 2 276.399 3.269 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536182 804385249 /nfs/dbraw/zinc/38/52/49/804385249.db2.gz CTIXUOCSDWERBK-JKSUJKDBSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536182 804385257 /nfs/dbraw/zinc/38/52/57/804385257.db2.gz CTIXUOCSDWERBK-JKSUJKDBSA-N 2 2 278.827 3.229 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560854 804410639 /nfs/dbraw/zinc/41/06/39/804410639.db2.gz UJNARSQOQMRLEN-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246560854 804410642 /nfs/dbraw/zinc/41/06/42/804410642.db2.gz UJNARSQOQMRLEN-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246566889 804415978 /nfs/dbraw/zinc/41/59/78/804415978.db2.gz JVHISIYETYJEFM-IOASZLSFSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246566889 804415979 /nfs/dbraw/zinc/41/59/79/804415979.db2.gz JVHISIYETYJEFM-IOASZLSFSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246572401 804419658 /nfs/dbraw/zinc/41/96/58/804419658.db2.gz WUHJNGNXVQSDEX-XUJVJEKNSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246572401 804419662 /nfs/dbraw/zinc/41/96/62/804419662.db2.gz WUHJNGNXVQSDEX-XUJVJEKNSA-N 2 2 298.833 3.469 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246626831 804457405 /nfs/dbraw/zinc/45/74/05/804457405.db2.gz VHBLELCIMCBVDK-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246626831 804457406 /nfs/dbraw/zinc/45/74/06/804457406.db2.gz VHBLELCIMCBVDK-RHSMWYFYSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001246684919 804496295 /nfs/dbraw/zinc/49/62/95/804496295.db2.gz YDVZZVPDMHHPQH-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001246684919 804496297 /nfs/dbraw/zinc/49/62/97/804496297.db2.gz YDVZZVPDMHHPQH-VXGBXAGGSA-N 2 2 284.806 3.094 20 0 CGADLP C[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246791355 804515660 /nfs/dbraw/zinc/51/56/60/804515660.db2.gz OKLRINYINJFBOL-HOCLYGCPSA-N 2 2 278.415 3.424 20 0 CGADLP C[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246791355 804515663 /nfs/dbraw/zinc/51/56/63/804515663.db2.gz OKLRINYINJFBOL-HOCLYGCPSA-N 2 2 278.415 3.424 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(O)cc(Cl)c1 ZINC001140791073 804517215 /nfs/dbraw/zinc/51/72/15/804517215.db2.gz YSOQHHPDUSCXJY-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(O)cc(Cl)c1 ZINC001140791073 804517222 /nfs/dbraw/zinc/51/72/22/804517222.db2.gz YSOQHHPDUSCXJY-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1nc2ccccc2o1 ZINC001140805289 804523497 /nfs/dbraw/zinc/52/34/97/804523497.db2.gz ZQDBIKZILGXVTG-UHFFFAOYSA-N 2 2 292.342 3.336 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1nc2ccccc2o1 ZINC001140805289 804523500 /nfs/dbraw/zinc/52/35/00/804523500.db2.gz ZQDBIKZILGXVTG-UHFFFAOYSA-N 2 2 292.342 3.336 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824874 804536622 /nfs/dbraw/zinc/53/66/22/804536622.db2.gz QVFMNJGFWPRVMM-DAXOMENPSA-N 2 2 294.439 3.056 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246824874 804536625 /nfs/dbraw/zinc/53/66/25/804536625.db2.gz QVFMNJGFWPRVMM-DAXOMENPSA-N 2 2 294.439 3.056 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246836278 804544419 /nfs/dbraw/zinc/54/44/19/804544419.db2.gz ODHMINHWEPRJMT-MRXNPFEDSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246836278 804544429 /nfs/dbraw/zinc/54/44/29/804544429.db2.gz ODHMINHWEPRJMT-MRXNPFEDSA-N 2 2 290.838 3.373 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843827 804552247 /nfs/dbraw/zinc/55/22/47/804552247.db2.gz FPQQKLFQQNFWFJ-FICVDOATSA-N 2 2 250.430 3.314 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843827 804552252 /nfs/dbraw/zinc/55/22/52/804552252.db2.gz FPQQKLFQQNFWFJ-FICVDOATSA-N 2 2 250.430 3.314 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883576 804579947 /nfs/dbraw/zinc/57/99/47/804579947.db2.gz WYIISJQATYHZRW-ROUUACIJSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246883576 804579950 /nfs/dbraw/zinc/57/99/50/804579950.db2.gz WYIISJQATYHZRW-ROUUACIJSA-N 2 2 290.426 3.495 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001246887401 804581378 /nfs/dbraw/zinc/58/13/78/804581378.db2.gz ORQMHRGXXAZYDJ-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001246887401 804581383 /nfs/dbraw/zinc/58/13/83/804581383.db2.gz ORQMHRGXXAZYDJ-IAQYHMDHSA-N 2 2 268.351 3.100 20 0 CGADLP CCCCc1[nH]c(C[NH+]2CCc3ccccc3CC2)c[nH+]1 ZINC001141070336 804583199 /nfs/dbraw/zinc/58/31/99/804583199.db2.gz VGGKUFOAGNHIQD-UHFFFAOYSA-N 2 2 283.419 3.353 20 0 CGADLP CC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246939931 804610926 /nfs/dbraw/zinc/61/09/26/804610926.db2.gz WAULECSSCXVZRY-CZUORRHYSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246939931 804610929 /nfs/dbraw/zinc/61/09/29/804610929.db2.gz WAULECSSCXVZRY-CZUORRHYSA-N 2 2 264.388 3.178 20 0 CGADLP CCC[C@H](CC)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246950949 804616735 /nfs/dbraw/zinc/61/67/35/804616735.db2.gz ADMXZJCVHYTVDF-IRXDYDNUSA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@H](CC)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246950949 804616738 /nfs/dbraw/zinc/61/67/38/804616738.db2.gz ADMXZJCVHYTVDF-IRXDYDNUSA-N 2 2 275.440 3.214 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@H]2C1 ZINC001141234771 804619297 /nfs/dbraw/zinc/61/92/97/804619297.db2.gz WEBRXFYPBQRGPY-HUUCEWRRSA-N 2 2 278.827 3.032 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014857 804643549 /nfs/dbraw/zinc/64/35/49/804643549.db2.gz LZMZZZIGYNFLCP-ABXWRUBCSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014857 804643552 /nfs/dbraw/zinc/64/35/52/804643552.db2.gz LZMZZZIGYNFLCP-ABXWRUBCSA-N 2 2 290.373 3.181 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001141978884 804684365 /nfs/dbraw/zinc/68/43/65/804684365.db2.gz KLCVKDQXRCDFJA-UHFFFAOYSA-N 2 2 299.418 3.176 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001141978884 804684369 /nfs/dbraw/zinc/68/43/69/804684369.db2.gz KLCVKDQXRCDFJA-UHFFFAOYSA-N 2 2 299.418 3.176 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001142366977 804719599 /nfs/dbraw/zinc/71/95/99/804719599.db2.gz ADHREFKZXRNLCH-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001142366977 804719604 /nfs/dbraw/zinc/71/96/04/804719604.db2.gz ADHREFKZXRNLCH-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001142366977 804719608 /nfs/dbraw/zinc/71/96/08/804719608.db2.gz ADHREFKZXRNLCH-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001142366977 804719613 /nfs/dbraw/zinc/71/96/13/804719613.db2.gz ADHREFKZXRNLCH-ROUUACIJSA-N 2 2 272.436 3.165 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2csc(Cl)c2)CC1 ZINC001142771362 804767410 /nfs/dbraw/zinc/76/74/10/804767410.db2.gz QZPTYJFQEGIXDO-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2csc(Cl)c2)CC1 ZINC001142771362 804767411 /nfs/dbraw/zinc/76/74/11/804767411.db2.gz QZPTYJFQEGIXDO-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP F[C@H]1CCC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143027731 804796482 /nfs/dbraw/zinc/79/64/82/804796482.db2.gz QZMBZWNHAYOXQJ-HNNXBMFYSA-N 2 2 287.382 3.439 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911921 807008990 /nfs/dbraw/zinc/00/89/90/807008990.db2.gz XSGBYVPVPIWYTG-RBSFLKMASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256911921 807008999 /nfs/dbraw/zinc/00/89/99/807008999.db2.gz XSGBYVPVPIWYTG-RBSFLKMASA-N 2 2 264.457 3.418 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001257260347 807076656 /nfs/dbraw/zinc/07/66/56/807076656.db2.gz RNVVDAZFUBKIMG-KURKYZTESA-N 2 2 287.451 3.024 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCCSC2)cc1 ZINC001257667966 807209603 /nfs/dbraw/zinc/20/96/03/807209603.db2.gz LPCVQQTWDAQCCX-AWEZNQCLSA-N 2 2 273.405 3.077 20 0 CGADLP CCCc1cc(NCc2ccc(N)[nH+]c2C)nc(CCC)[nH+]1 ZINC001167786584 807251758 /nfs/dbraw/zinc/25/17/58/807251758.db2.gz SKFGKLULTRORIF-UHFFFAOYSA-N 2 2 299.422 3.279 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001167838362 807259281 /nfs/dbraw/zinc/25/92/81/807259281.db2.gz TXYCLXWYLXMAIP-JKSUJKDBSA-N 3 2 292.471 3.033 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001167838235 807259332 /nfs/dbraw/zinc/25/93/32/807259332.db2.gz SHYYEBHNOMBROI-INIZCTEOSA-N 3 2 292.471 3.031 20 0 CGADLP COc1cc(F)ccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258007277 807263989 /nfs/dbraw/zinc/26/39/89/807263989.db2.gz VFXKPBGYOIMVQC-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001258052757 807278151 /nfs/dbraw/zinc/27/81/51/807278151.db2.gz RSOVIFDXHUSSCB-CABCVRRESA-N 2 2 251.418 3.324 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258095165 807303935 /nfs/dbraw/zinc/30/39/35/807303935.db2.gz DSRXOPWEVNJBLD-XHSDSOJGSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258095165 807303944 /nfs/dbraw/zinc/30/39/44/807303944.db2.gz DSRXOPWEVNJBLD-XHSDSOJGSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258095165 807303953 /nfs/dbraw/zinc/30/39/53/807303953.db2.gz DSRXOPWEVNJBLD-XHSDSOJGSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258095165 807303962 /nfs/dbraw/zinc/30/39/62/807303962.db2.gz DSRXOPWEVNJBLD-XHSDSOJGSA-N 2 2 250.430 3.147 20 0 CGADLP C[C@H]1CC([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H](C)C1 ZINC001258163439 807331714 /nfs/dbraw/zinc/33/17/14/807331714.db2.gz MCXWUZICJHPHAT-CHWSQXEVSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@H]1C[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@@H](C)C1 ZINC001258167016 807332818 /nfs/dbraw/zinc/33/28/18/807332818.db2.gz FLELXTBCLNBDFO-LJISPDSOSA-N 2 2 261.413 3.347 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCCCC3)C[C@H]21 ZINC001258242987 807384915 /nfs/dbraw/zinc/38/49/15/807384915.db2.gz CWEUFYXSRFXERN-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCCCC3)C[C@H]21 ZINC001258242987 807384922 /nfs/dbraw/zinc/38/49/22/807384922.db2.gz CWEUFYXSRFXERN-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242987 807384928 /nfs/dbraw/zinc/38/49/28/807384928.db2.gz CWEUFYXSRFXERN-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCCCC3)C[C@H]21 ZINC001258242987 807384937 /nfs/dbraw/zinc/38/49/37/807384937.db2.gz CWEUFYXSRFXERN-GDBMZVCRSA-N 2 2 250.430 3.125 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC001168353079 807391243 /nfs/dbraw/zinc/39/12/43/807391243.db2.gz JOZWCYXTJWOUAT-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc2c1CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168387723 807399707 /nfs/dbraw/zinc/39/97/07/807399707.db2.gz RBFGDUVZQQXWFW-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP Fc1cccc2c1CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168387723 807399717 /nfs/dbraw/zinc/39/97/17/807399717.db2.gz RBFGDUVZQQXWFW-UHFFFAOYSA-N 2 2 288.410 3.058 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258599047 807498144 /nfs/dbraw/zinc/49/81/44/807498144.db2.gz QNDMFQLWYDNEKG-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258599047 807498148 /nfs/dbraw/zinc/49/81/48/807498148.db2.gz QNDMFQLWYDNEKG-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H](Cc1ccccc1)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258657271 807527575 /nfs/dbraw/zinc/52/75/75/807527575.db2.gz NZYXNOHAQPRENT-QGZVFWFLSA-N 2 2 297.446 3.464 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001258662435 807530357 /nfs/dbraw/zinc/53/03/57/807530357.db2.gz IFVMJQNMYAETDW-GOSISDBHSA-N 2 2 272.436 3.178 20 0 CGADLP CCC[C@H](Cc1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001258662435 807530363 /nfs/dbraw/zinc/53/03/63/807530363.db2.gz IFVMJQNMYAETDW-GOSISDBHSA-N 2 2 272.436 3.178 20 0 CGADLP Cc1ccc(C)c(NCCc2cn3ccccc3[nH+]2)[nH+]1 ZINC001169002887 807550050 /nfs/dbraw/zinc/55/00/50/807550050.db2.gz SNZRHYXEWXYRAV-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001258701580 807556185 /nfs/dbraw/zinc/55/61/85/807556185.db2.gz KJQJTEYWINVNHZ-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001258701580 807556189 /nfs/dbraw/zinc/55/61/89/807556189.db2.gz KJQJTEYWINVNHZ-QZTJIDSGSA-N 2 2 274.452 3.472 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001169092651 807571721 /nfs/dbraw/zinc/57/17/21/807571721.db2.gz BZOBZFDCNXNRRX-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C2 ZINC001169092651 807571728 /nfs/dbraw/zinc/57/17/28/807571728.db2.gz BZOBZFDCNXNRRX-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC001169092174 807571975 /nfs/dbraw/zinc/57/19/75/807571975.db2.gz ZJIYODZEJPFTKZ-DEQVHRJGSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC001169092174 807571979 /nfs/dbraw/zinc/57/19/79/807571979.db2.gz ZJIYODZEJPFTKZ-DEQVHRJGSA-N 2 2 280.362 3.241 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001169098578 807575141 /nfs/dbraw/zinc/57/51/41/807575141.db2.gz IPYFWTYIIZHQMB-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001169098578 807575147 /nfs/dbraw/zinc/57/51/47/807575147.db2.gz IPYFWTYIIZHQMB-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001258736307 807582115 /nfs/dbraw/zinc/58/21/15/807582115.db2.gz QRRNSZWNKJGULI-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC001258736307 807582120 /nfs/dbraw/zinc/58/21/20/807582120.db2.gz QRRNSZWNKJGULI-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1F ZINC001169117085 807582648 /nfs/dbraw/zinc/58/26/48/807582648.db2.gz VPMIQXGNVPAWQN-LPWJVIDDSA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1F ZINC001169117085 807582653 /nfs/dbraw/zinc/58/26/53/807582653.db2.gz VPMIQXGNVPAWQN-LPWJVIDDSA-N 2 2 280.362 3.241 20 0 CGADLP CC[NH+]1CCC([N@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001169264600 807617764 /nfs/dbraw/zinc/61/77/64/807617764.db2.gz JRMZSRXDTIKPTK-CQSZACIVSA-N 2 2 276.424 3.172 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC001169264600 807617767 /nfs/dbraw/zinc/61/77/67/807617767.db2.gz JRMZSRXDTIKPTK-CQSZACIVSA-N 2 2 276.424 3.172 20 0 CGADLP Cc1[nH+]c2c(n1C1CCC(C(C)C)CC1)CC[NH2+]CC2 ZINC001258802900 807623897 /nfs/dbraw/zinc/62/38/97/807623897.db2.gz FGINZAUEUYRNTA-UHFFFAOYSA-N 2 2 275.440 3.267 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820843 807637359 /nfs/dbraw/zinc/63/73/59/807637359.db2.gz PFAUCXGLHBDLHL-BVBHFADKSA-N 2 2 299.462 3.024 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC001261370427 807739212 /nfs/dbraw/zinc/73/92/12/807739212.db2.gz JDOHGVDSNXYRGN-VIFPVBQESA-N 2 2 291.222 3.090 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001170113062 807761942 /nfs/dbraw/zinc/76/19/42/807761942.db2.gz MABZSFUYAYBRIU-WMLDXEAASA-N 2 2 288.435 3.135 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170274824 807810956 /nfs/dbraw/zinc/81/09/56/807810956.db2.gz CUAFGEXHAOBRTC-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170274824 807810967 /nfs/dbraw/zinc/81/09/67/807810967.db2.gz CUAFGEXHAOBRTC-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3[nH+]ccc4cc(F)ccc43)[C@H]2C1 ZINC001262725282 807901340 /nfs/dbraw/zinc/90/13/40/807901340.db2.gz SXTNJXPLVJQRFL-VBNZEHGJSA-N 2 2 285.366 3.126 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@@H](Nc3[nH+]ccc4cc(F)ccc43)[C@H]2C1 ZINC001262725282 807901343 /nfs/dbraw/zinc/90/13/43/807901343.db2.gz SXTNJXPLVJQRFL-VBNZEHGJSA-N 2 2 285.366 3.126 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171033128 807966465 /nfs/dbraw/zinc/96/64/65/807966465.db2.gz JVZULROSZHVEEV-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP Fc1cccc2c1CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171437989 808057161 /nfs/dbraw/zinc/05/71/61/808057161.db2.gz OOGCKGKLSQYVNR-GJZGRUSLSA-N 2 2 299.393 3.219 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172322950 808231649 /nfs/dbraw/zinc/23/16/49/808231649.db2.gz ZJTCSSTXQASOLV-HOTGVXAUSA-N 2 2 270.461 3.046 20 0 CGADLP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172349086 808246652 /nfs/dbraw/zinc/24/66/52/808246652.db2.gz LBWDEVUUZOJFQD-KBPBESRZSA-N 2 2 275.396 3.018 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@@H]1C ZINC001172379693 808272507 /nfs/dbraw/zinc/27/25/07/808272507.db2.gz PLBCHGLXKMWMAX-YCPHGPKFSA-N 2 2 261.413 3.345 20 0 CGADLP CC[C@H](CC(C)C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172396421 808285770 /nfs/dbraw/zinc/28/57/70/808285770.db2.gz UZOSHPRTVGXXMW-CYBMUJFWSA-N 2 2 269.458 3.381 20 0 CGADLP CC[C@@H]1CC[C@H](n2c[nH+]c(C)c2CSCC[NH3+])C1 ZINC001173263804 808568884 /nfs/dbraw/zinc/56/88/84/808568884.db2.gz NFGZNOLFJUJZAA-OLZOCXBDSA-N 2 2 267.442 3.135 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001173278346 808581015 /nfs/dbraw/zinc/58/10/15/808581015.db2.gz YZLVQUIOKZZVNM-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001173278346 808581021 /nfs/dbraw/zinc/58/10/21/808581021.db2.gz YZLVQUIOKZZVNM-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP CCSC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173298735 808597854 /nfs/dbraw/zinc/59/78/54/808597854.db2.gz QPNSTKRRLISESE-RBSFLKMASA-N 2 2 293.480 3.300 20 0 CGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173537785 808645337 /nfs/dbraw/zinc/64/53/37/808645337.db2.gz CIENBDITUITWIQ-ZEGGKSINSA-N 2 2 273.207 3.004 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(F)c3F)(C1)CCC2 ZINC001276370026 809003950 /nfs/dbraw/zinc/00/39/50/809003950.db2.gz XLFMJLCHDQVAEB-JKSUJKDBSA-N 2 2 298.352 3.258 20 0 CGADLP CC/C=C\CCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276477672 809012817 /nfs/dbraw/zinc/01/28/17/809012817.db2.gz BLOKFPDGVRBUIU-PLNGDYQASA-N 2 2 250.430 3.151 20 0 CGADLP CC/C=C\CCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276477672 809012824 /nfs/dbraw/zinc/01/28/24/809012824.db2.gz BLOKFPDGVRBUIU-PLNGDYQASA-N 2 2 250.430 3.151 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(C)c3F)(C1)CCC2 ZINC001276538695 809015941 /nfs/dbraw/zinc/01/59/41/809015941.db2.gz ZTMONYPWPORJNU-DLBZAZTESA-N 2 2 294.389 3.428 20 0 CGADLP Cc1cc(C)[nH+]c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174443809 809017217 /nfs/dbraw/zinc/01/72/17/809017217.db2.gz FQOJOFSEZZJGMN-UHFFFAOYSA-N 2 2 297.402 3.274 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001175521737 809441280 /nfs/dbraw/zinc/44/12/80/809441280.db2.gz AJFHFWSGIXMSAH-ZDUSSCGKSA-N 2 2 293.414 3.272 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001175521737 809441283 /nfs/dbraw/zinc/44/12/83/809441283.db2.gz AJFHFWSGIXMSAH-ZDUSSCGKSA-N 2 2 293.414 3.272 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC001177086512 809780251 /nfs/dbraw/zinc/78/02/51/809780251.db2.gz KGJYQJCLPKEIFB-UHFFFAOYSA-N 2 2 276.355 3.146 20 0 CGADLP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(Cl)c1 ZINC001177231161 809788489 /nfs/dbraw/zinc/78/84/89/809788489.db2.gz CUNCWDLQCWTUGT-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(Cl)c1 ZINC001177231161 809788490 /nfs/dbraw/zinc/78/84/90/809788490.db2.gz CUNCWDLQCWTUGT-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP CCc1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC001177938215 809833728 /nfs/dbraw/zinc/83/37/28/809833728.db2.gz PLBRYQLZLMUVAE-UHFFFAOYSA-N 2 2 275.421 3.297 20 0 CGADLP CCc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001177935866 809834196 /nfs/dbraw/zinc/83/41/96/809834196.db2.gz BVMPSBOPEMZFRV-UHFFFAOYSA-N 2 2 269.392 3.236 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001179147525 809906522 /nfs/dbraw/zinc/90/65/22/809906522.db2.gz HVHARDNNRPWDDA-NXOAAHMSSA-N 2 2 264.457 3.275 20 0 CGADLP C1=CC[C@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001179168837 809907392 /nfs/dbraw/zinc/90/73/92/809907392.db2.gz KMLPORWURKEMHH-RDJZCZTQSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001179168837 809907394 /nfs/dbraw/zinc/90/73/94/809907394.db2.gz KMLPORWURKEMHH-RDJZCZTQSA-N 2 2 262.441 3.339 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@]1(C)CC ZINC001181586840 810060427 /nfs/dbraw/zinc/06/04/27/810060427.db2.gz DONCAHAFEFBPNL-JYJNAYRXSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@]1(C)CC ZINC001181586840 810060430 /nfs/dbraw/zinc/06/04/30/810060430.db2.gz DONCAHAFEFBPNL-JYJNAYRXSA-N 2 2 252.446 3.419 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182634748 810117972 /nfs/dbraw/zinc/11/79/72/810117972.db2.gz OFZFTZTWQQBHEZ-UHDSXZAQSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001182634748 810117974 /nfs/dbraw/zinc/11/79/74/810117974.db2.gz OFZFTZTWQQBHEZ-UHDSXZAQSA-N 2 2 262.441 3.029 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC001182634957 810118445 /nfs/dbraw/zinc/11/84/45/810118445.db2.gz ULEMDSRTCYMUEF-HMDCTGQHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H](C)C1 ZINC001182634957 810118446 /nfs/dbraw/zinc/11/84/46/810118446.db2.gz ULEMDSRTCYMUEF-HMDCTGQHSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621206 811921017 /nfs/dbraw/zinc/92/10/17/811921017.db2.gz ZXDHWDAXHDHNPH-CABCVRRESA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201621206 811921021 /nfs/dbraw/zinc/92/10/21/811921021.db2.gz ZXDHWDAXHDHNPH-CABCVRRESA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201621206 811921027 /nfs/dbraw/zinc/92/10/27/811921027.db2.gz ZXDHWDAXHDHNPH-CABCVRRESA-N 2 2 293.480 3.085 20 0 CGADLP CC(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201621206 811921032 /nfs/dbraw/zinc/92/10/32/811921032.db2.gz ZXDHWDAXHDHNPH-CABCVRRESA-N 2 2 293.480 3.085 20 0 CGADLP Cc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1Br ZINC001202587413 812129106 /nfs/dbraw/zinc/12/91/06/812129106.db2.gz KDZMSGMMWNIZCF-LLVKDONJSA-N 2 2 299.256 3.045 20 0 CGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203309217 812305362 /nfs/dbraw/zinc/30/53/62/812305362.db2.gz OHFWPUKQOPOYBI-HDICACEKSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203309217 812305373 /nfs/dbraw/zinc/30/53/73/812305373.db2.gz OHFWPUKQOPOYBI-HDICACEKSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2ccccc2)C3)c1 ZINC001203309217 812305382 /nfs/dbraw/zinc/30/53/82/812305382.db2.gz OHFWPUKQOPOYBI-HDICACEKSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC001203309217 812305395 /nfs/dbraw/zinc/30/53/95/812305395.db2.gz OHFWPUKQOPOYBI-HDICACEKSA-N 2 2 296.414 3.234 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001203660414 812419013 /nfs/dbraw/zinc/41/90/13/812419013.db2.gz JFQLDDMMPIIOFG-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP Cc1cn2cc(Nc3cc(C)c[nH+]c3C)ccc2[nH+]1 ZINC001203657477 812419330 /nfs/dbraw/zinc/41/93/30/812419330.db2.gz NIJJOIKZYMKWOG-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203727369 812443578 /nfs/dbraw/zinc/44/35/78/812443578.db2.gz RYHIHEMCSVCXBJ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203727369 812443581 /nfs/dbraw/zinc/44/35/81/812443581.db2.gz RYHIHEMCSVCXBJ-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204282707 812596501 /nfs/dbraw/zinc/59/65/01/812596501.db2.gz TWMMBXYRYUCRTO-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001204282707 812596506 /nfs/dbraw/zinc/59/65/06/812596506.db2.gz TWMMBXYRYUCRTO-UHFFFAOYSA-N 2 2 270.779 3.005 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@H+](C)CC[NH3+])cc2)c1 ZINC001204699699 812712137 /nfs/dbraw/zinc/71/21/37/812712137.db2.gz PYXPMAKSQDYXEN-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@@H+](C)CC[NH3+])cc2)c1 ZINC001204699699 812712139 /nfs/dbraw/zinc/71/21/39/812712139.db2.gz PYXPMAKSQDYXEN-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204772869 812732031 /nfs/dbraw/zinc/73/20/31/812732031.db2.gz ZHZKUQKYBMRXEF-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204772869 812732038 /nfs/dbraw/zinc/73/20/38/812732038.db2.gz ZHZKUQKYBMRXEF-IBGZPJMESA-N 2 2 296.414 3.285 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001204800861 812739939 /nfs/dbraw/zinc/73/99/39/812739939.db2.gz HREZSWBMSUZPCY-AWEZNQCLSA-N 2 2 278.446 3.400 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2cc(-c3ccsc3)cs2)C1 ZINC001204800861 812739945 /nfs/dbraw/zinc/73/99/45/812739945.db2.gz HREZSWBMSUZPCY-AWEZNQCLSA-N 2 2 278.446 3.400 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204885581 812763157 /nfs/dbraw/zinc/76/31/57/812763157.db2.gz YIIKDQCPSIIPMH-KRWDZBQOSA-N 2 2 266.388 3.277 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001204885581 812763161 /nfs/dbraw/zinc/76/31/61/812763161.db2.gz YIIKDQCPSIIPMH-KRWDZBQOSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001204947228 812793267 /nfs/dbraw/zinc/79/32/67/812793267.db2.gz WVUMBAHRXFHPDP-KRWDZBQOSA-N 2 2 287.382 3.134 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001204947228 812793270 /nfs/dbraw/zinc/79/32/70/812793270.db2.gz WVUMBAHRXFHPDP-KRWDZBQOSA-N 2 2 287.382 3.134 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001205017271 812828386 /nfs/dbraw/zinc/82/83/86/812828386.db2.gz MODRJAIMOFQISK-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001205017271 812828399 /nfs/dbraw/zinc/82/83/99/812828399.db2.gz MODRJAIMOFQISK-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CCOc1c(F)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1F ZINC001205281920 812930373 /nfs/dbraw/zinc/93/03/73/812930373.db2.gz ZJTJGZUVOJDMPJ-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1c(F)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1F ZINC001205281920 812930378 /nfs/dbraw/zinc/93/03/78/812930378.db2.gz ZJTJGZUVOJDMPJ-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205318297 812950526 /nfs/dbraw/zinc/95/05/26/812950526.db2.gz TYTVOJWDGCJBCS-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205318297 812950530 /nfs/dbraw/zinc/95/05/30/812950530.db2.gz TYTVOJWDGCJBCS-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205332840 812960121 /nfs/dbraw/zinc/96/01/21/812960121.db2.gz URMJZXOMFYYCQL-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205332840 812960127 /nfs/dbraw/zinc/96/01/27/812960127.db2.gz URMJZXOMFYYCQL-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[NH2+]CC[C@H]3C)cc2c1 ZINC001205332788 812960663 /nfs/dbraw/zinc/96/06/63/812960663.db2.gz SOPKHHPMKPJJID-GFCCVEGCSA-N 2 2 290.432 3.094 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[NH2+]CC[C@H]3C)cc2c1 ZINC001205332788 812960666 /nfs/dbraw/zinc/96/06/66/812960666.db2.gz SOPKHHPMKPJJID-GFCCVEGCSA-N 2 2 290.432 3.094 20 0 CGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2C(F)F)CCC1(F)F ZINC001205770450 813071892 /nfs/dbraw/zinc/07/18/92/813071892.db2.gz NAOBZNDKHYRDHF-LLVKDONJSA-N 2 2 290.304 3.040 20 0 CGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC1(F)F ZINC001205770450 813071900 /nfs/dbraw/zinc/07/19/00/813071900.db2.gz NAOBZNDKHYRDHF-LLVKDONJSA-N 2 2 290.304 3.040 20 0 CGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C(F)F)CCC1(F)F ZINC001205770451 813073025 /nfs/dbraw/zinc/07/30/25/813073025.db2.gz NAOBZNDKHYRDHF-NSHDSACASA-N 2 2 290.304 3.040 20 0 CGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C(F)F)CCC1(F)F ZINC001205770451 813073035 /nfs/dbraw/zinc/07/30/35/813073035.db2.gz NAOBZNDKHYRDHF-NSHDSACASA-N 2 2 290.304 3.040 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205816213 813092965 /nfs/dbraw/zinc/09/29/65/813092965.db2.gz KONGUGYFVDEWKK-DOTOQJQBSA-N 2 2 290.451 3.281 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205816213 813092974 /nfs/dbraw/zinc/09/29/74/813092974.db2.gz KONGUGYFVDEWKK-DOTOQJQBSA-N 2 2 290.451 3.281 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1F ZINC001205895345 813121085 /nfs/dbraw/zinc/12/10/85/813121085.db2.gz FDYZTYUHRLUGFT-HZPDHXFCSA-N 2 2 298.361 3.457 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@H]1F ZINC001205895345 813121090 /nfs/dbraw/zinc/12/10/90/813121090.db2.gz FDYZTYUHRLUGFT-HZPDHXFCSA-N 2 2 298.361 3.457 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205902056 813123902 /nfs/dbraw/zinc/12/39/02/813123902.db2.gz HCNWNQHDAWHFOE-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205902056 813123905 /nfs/dbraw/zinc/12/39/05/813123905.db2.gz HCNWNQHDAWHFOE-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205923029 813135695 /nfs/dbraw/zinc/13/56/95/813135695.db2.gz GVAPIRIGUVIPJZ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205923029 813135699 /nfs/dbraw/zinc/13/56/99/813135699.db2.gz GVAPIRIGUVIPJZ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205931486 813139301 /nfs/dbraw/zinc/13/93/01/813139301.db2.gz JTCDPGFAWVPDJI-LBPRGKRZSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001205931486 813139303 /nfs/dbraw/zinc/13/93/03/813139303.db2.gz JTCDPGFAWVPDJI-LBPRGKRZSA-N 2 2 277.799 3.135 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC001206058522 813186057 /nfs/dbraw/zinc/18/60/57/813186057.db2.gz BOFAPFZNEDDZAX-FZKQIMNGSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C[C@H]1[NH3+] ZINC001206058522 813186058 /nfs/dbraw/zinc/18/60/58/813186058.db2.gz BOFAPFZNEDDZAX-FZKQIMNGSA-N 2 2 284.378 3.272 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001206575735 813359872 /nfs/dbraw/zinc/35/98/72/813359872.db2.gz XMHFHTMFGLCSEB-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001206575735 813359879 /nfs/dbraw/zinc/35/98/79/813359879.db2.gz XMHFHTMFGLCSEB-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CSC2)CC1 ZINC001206661297 813392491 /nfs/dbraw/zinc/39/24/91/813392491.db2.gz SOXWGWRPSNLGPA-OAHLLOKOSA-N 2 2 296.524 3.372 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771025 813432687 /nfs/dbraw/zinc/43/26/87/813432687.db2.gz VSLFJDDWOSYQEH-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771025 813432690 /nfs/dbraw/zinc/43/26/90/813432690.db2.gz VSLFJDDWOSYQEH-CHWSQXEVSA-N 2 2 296.842 3.298 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cn1 ZINC001207042700 813470919 /nfs/dbraw/zinc/47/09/19/813470919.db2.gz HPGRMGDTUDYVAW-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cn1 ZINC001207042700 813470921 /nfs/dbraw/zinc/47/09/21/813470921.db2.gz HPGRMGDTUDYVAW-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC001207042700 813470925 /nfs/dbraw/zinc/47/09/25/813470925.db2.gz HPGRMGDTUDYVAW-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC001207042700 813470928 /nfs/dbraw/zinc/47/09/28/813470928.db2.gz HPGRMGDTUDYVAW-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+](CC(F)F)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295409 813538348 /nfs/dbraw/zinc/53/83/48/813538348.db2.gz PIUJKPGFGLNZGB-UHFFFAOYSA-N 2 2 282.378 3.096 20 0 CGADLP C[N@@H+](CC(F)F)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295409 813538356 /nfs/dbraw/zinc/53/83/56/813538356.db2.gz PIUJKPGFGLNZGB-UHFFFAOYSA-N 2 2 282.378 3.096 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)CC1CCC(F)(F)CC1 ZINC001207348800 813547128 /nfs/dbraw/zinc/54/71/28/813547128.db2.gz DNFQFLXKKOGFOC-UHFFFAOYSA-N 2 2 271.355 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CCC(F)(F)CC1 ZINC001207348800 813547134 /nfs/dbraw/zinc/54/71/34/813547134.db2.gz DNFQFLXKKOGFOC-UHFFFAOYSA-N 2 2 271.355 3.031 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC001207952400 813679382 /nfs/dbraw/zinc/67/93/82/813679382.db2.gz UIZSTPNCWMLZDV-UHFFFAOYSA-N 2 2 273.380 3.054 20 0 CGADLP CC(C)[N@H+](CCc1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC001208117883 813696498 /nfs/dbraw/zinc/69/64/98/813696498.db2.gz IHVLKJFLCHPNOJ-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP CC(C)[N@@H+](CCc1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC001208117883 813696503 /nfs/dbraw/zinc/69/65/03/813696503.db2.gz IHVLKJFLCHPNOJ-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP CC[N@H+](CC[C@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208155401 813712650 /nfs/dbraw/zinc/71/26/50/813712650.db2.gz NWTAXFLLNZZXNL-AWEZNQCLSA-N 2 2 278.440 3.498 20 0 CGADLP CC[N@@H+](CC[C@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208155401 813712653 /nfs/dbraw/zinc/71/26/53/813712653.db2.gz NWTAXFLLNZZXNL-AWEZNQCLSA-N 2 2 278.440 3.498 20 0 CGADLP CC[N@H+](Cc1ccccn1)CC1(C[NH+](C)C)CCCC1 ZINC001208185930 813734882 /nfs/dbraw/zinc/73/48/82/813734882.db2.gz LBBQBKPFCRWSFJ-UHFFFAOYSA-N 2 2 275.440 3.026 20 0 CGADLP CC[N@@H+](Cc1ccccn1)CC1(C[NH+](C)C)CCCC1 ZINC001208185930 813734888 /nfs/dbraw/zinc/73/48/88/813734888.db2.gz LBBQBKPFCRWSFJ-UHFFFAOYSA-N 2 2 275.440 3.026 20 0 CGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCC4CCCC4)C[C@H]3C2)nc1 ZINC001208694221 813799790 /nfs/dbraw/zinc/79/97/90/813799790.db2.gz VLTVPVFYBNDERZ-ROUUACIJSA-N 2 2 299.462 3.026 20 0 CGADLP CC[N@H+](CC1(C)CCCCC1)C1CC[NH+](C)CC1 ZINC001208900813 813889731 /nfs/dbraw/zinc/88/97/31/813889731.db2.gz XRSWHAUFEKCORO-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP CC[N@@H+](CC1(C)CCCCC1)C1CC[NH+](C)CC1 ZINC001208900813 813889735 /nfs/dbraw/zinc/88/97/35/813889735.db2.gz XRSWHAUFEKCORO-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235377 813978117 /nfs/dbraw/zinc/97/81/17/813978117.db2.gz OVLWTJVXSKPVHO-RTBURBONSA-N 2 2 286.463 3.425 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235377 813978123 /nfs/dbraw/zinc/97/81/23/813978123.db2.gz OVLWTJVXSKPVHO-RTBURBONSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235377 813978127 /nfs/dbraw/zinc/97/81/27/813978127.db2.gz OVLWTJVXSKPVHO-RTBURBONSA-N 2 2 286.463 3.425 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001209235377 813978134 /nfs/dbraw/zinc/97/81/34/813978134.db2.gz OVLWTJVXSKPVHO-RTBURBONSA-N 2 2 286.463 3.425 20 0 CGADLP COc1cc(Nc2ccc3[nH]c[nH+]c3c2)[nH+]cc1C ZINC001209849182 814167983 /nfs/dbraw/zinc/16/79/83/814167983.db2.gz YZRUEVPCMHBIKD-UHFFFAOYSA-N 2 2 254.293 3.019 20 0 CGADLP Cc1[nH+]cc(Nc2cccc(C[NH+]3CCCC3)c2)cc1N ZINC001210288944 814384780 /nfs/dbraw/zinc/38/47/80/814384780.db2.gz ZCIVGUJXHANWDD-UHFFFAOYSA-N 2 2 282.391 3.312 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474997 814479137 /nfs/dbraw/zinc/47/91/37/814479137.db2.gz KAZDYGXSUMKWIN-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210474997 814479142 /nfs/dbraw/zinc/47/91/42/814479142.db2.gz KAZDYGXSUMKWIN-AWEZNQCLSA-N 2 2 284.403 3.032 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210475804 814479509 /nfs/dbraw/zinc/47/95/09/814479509.db2.gz PEGITQSRYDZQCY-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210475804 814479512 /nfs/dbraw/zinc/47/95/12/814479512.db2.gz PEGITQSRYDZQCY-INIZCTEOSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(Nc2ccc3[nH+]c(C)cn3c2)cc(C)[nH+]1 ZINC001210779732 814624745 /nfs/dbraw/zinc/62/47/45/814624745.db2.gz XVQTZRQJWQNCKC-UHFFFAOYSA-N 2 2 268.320 3.098 20 0 CGADLP c1cn2ccc(Nc3c[nH+]cn3Cc3ccccc3)cc2[nH+]1 ZINC001216551898 815858085 /nfs/dbraw/zinc/85/80/85/815858085.db2.gz BPVPTAMXRXHABB-UHFFFAOYSA-N 2 2 289.342 3.323 20 0 CGADLP Cc1cnc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222160829 816366684 /nfs/dbraw/zinc/36/66/84/816366684.db2.gz IZPSBAIMZYIXNH-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1cnc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)s1 ZINC001222160829 816366694 /nfs/dbraw/zinc/36/66/94/816366694.db2.gz IZPSBAIMZYIXNH-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP c1cc(C[N@@H+]2CC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222198913 816373927 /nfs/dbraw/zinc/37/39/27/816373927.db2.gz YFEVHCMVGQKLBN-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CC[C@]23CCC[NH2+]C3)c2cccccc1-2 ZINC001222198913 816373934 /nfs/dbraw/zinc/37/39/34/816373934.db2.gz YFEVHCMVGQKLBN-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222237763 816382600 /nfs/dbraw/zinc/38/26/00/816382600.db2.gz SINTYBXAUDCULZ-MRXNPFEDSA-N 2 2 296.361 3.006 20 0 CGADLP FC(F)Oc1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222237763 816382607 /nfs/dbraw/zinc/38/26/07/816382607.db2.gz SINTYBXAUDCULZ-MRXNPFEDSA-N 2 2 296.361 3.006 20 0 CGADLP Fc1cccc2[nH]cc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)c21 ZINC001222237375 816383720 /nfs/dbraw/zinc/38/37/20/816383720.db2.gz HGHMBSOSHIKLHM-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1cccc2[nH]cc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)c21 ZINC001222237375 816383728 /nfs/dbraw/zinc/38/37/28/816383728.db2.gz HGHMBSOSHIKLHM-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(F)c1F ZINC001222272494 816392356 /nfs/dbraw/zinc/39/23/56/816392356.db2.gz VGJPYROBDWZLAW-QGZVFWFLSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc(F)c1F ZINC001222272494 816392362 /nfs/dbraw/zinc/39/23/62/816392362.db2.gz VGJPYROBDWZLAW-QGZVFWFLSA-N 2 2 294.389 3.239 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277417 816393723 /nfs/dbraw/zinc/39/37/23/816393723.db2.gz NRYMCEKFDCVPNA-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277417 816393728 /nfs/dbraw/zinc/39/37/28/816393728.db2.gz NRYMCEKFDCVPNA-GOSISDBHSA-N 2 2 272.436 3.180 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC001222353784 816417776 /nfs/dbraw/zinc/41/77/76/816417776.db2.gz HFYNOGLGUYQIGE-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC001222353784 816417780 /nfs/dbraw/zinc/41/77/80/816417780.db2.gz HFYNOGLGUYQIGE-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1c2ccccc2sc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380227 816423385 /nfs/dbraw/zinc/42/33/85/816423385.db2.gz VTWPLXRVDWLSKH-UHFFFAOYSA-N 2 2 272.417 3.005 20 0 CGADLP Clc1ccc(CCC[NH+]2CC3(C2)CC[NH2+]C3)cc1Cl ZINC001222380029 816423612 /nfs/dbraw/zinc/42/36/12/816423612.db2.gz QPPQQLLRHYKBNS-UHFFFAOYSA-N 2 2 299.245 3.221 20 0 CGADLP c1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccnc2c1 ZINC001222384962 816425844 /nfs/dbraw/zinc/42/58/44/816425844.db2.gz CKVXKRBPOMJBMK-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccnc2c1 ZINC001222384962 816425848 /nfs/dbraw/zinc/42/58/48/816425848.db2.gz CKVXKRBPOMJBMK-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP COc1cc(C)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242980456 823197580 /nfs/dbraw/zinc/19/75/80/823197580.db2.gz HKBBNLPDRXBTFA-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242980456 823197584 /nfs/dbraw/zinc/19/75/84/823197584.db2.gz HKBBNLPDRXBTFA-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cccc2n1 ZINC001222441226 816446573 /nfs/dbraw/zinc/44/65/73/816446573.db2.gz HAJXRPNKBOZSSV-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cccc2n1 ZINC001222441226 816446577 /nfs/dbraw/zinc/44/65/77/816446577.db2.gz HAJXRPNKBOZSSV-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1Cl ZINC001228557323 817938114 /nfs/dbraw/zinc/93/81/14/817938114.db2.gz WWGHCVXDMHPVRS-UHFFFAOYSA-N 2 2 278.827 3.366 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(C)c1F ZINC001231480430 818106448 /nfs/dbraw/zinc/10/64/48/818106448.db2.gz VTLVENUBKNBORA-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(C)c1F ZINC001231480430 818106454 /nfs/dbraw/zinc/10/64/54/818106454.db2.gz VTLVENUBKNBORA-UHFFFAOYSA-N 2 2 284.394 3.437 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)n1 ZINC001232015391 818234838 /nfs/dbraw/zinc/23/48/38/818234838.db2.gz GEOCAXRPYBWGSE-CQSZACIVSA-N 2 2 284.388 3.357 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)n1 ZINC001232015391 818234842 /nfs/dbraw/zinc/23/48/42/818234842.db2.gz GEOCAXRPYBWGSE-CQSZACIVSA-N 2 2 284.388 3.357 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC2)O[C@@H](C)c2ccccc23)c[nH+]1 ZINC001232467952 818360183 /nfs/dbraw/zinc/36/01/83/818360183.db2.gz IZXHXWAHUVHNTM-ZDUSSCGKSA-N 2 2 297.402 3.301 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)cc1OC)C1CC[NH+](C)CC1 ZINC001232499914 818371621 /nfs/dbraw/zinc/37/16/21/818371621.db2.gz STHPYUDUKOQTRY-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)cc1OC)C1CC[NH+](C)CC1 ZINC001232499914 818371627 /nfs/dbraw/zinc/37/16/27/818371627.db2.gz STHPYUDUKOQTRY-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)sn1 ZINC001233311799 818574450 /nfs/dbraw/zinc/57/44/50/818574450.db2.gz JXTHGEKIKLMFND-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)sn1 ZINC001233311799 818574456 /nfs/dbraw/zinc/57/44/56/818574456.db2.gz JXTHGEKIKLMFND-OAHLLOKOSA-N 2 2 293.480 3.292 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1-c1ccccc1 ZINC001235026211 818981829 /nfs/dbraw/zinc/98/18/29/818981829.db2.gz LMCIYYDJIPIOOH-UHFFFAOYSA-N 2 2 296.389 3.288 20 0 CGADLP Fc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1-c1ccccc1 ZINC001235026211 818981833 /nfs/dbraw/zinc/98/18/33/818981833.db2.gz LMCIYYDJIPIOOH-UHFFFAOYSA-N 2 2 296.389 3.288 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235116944 819010187 /nfs/dbraw/zinc/01/01/87/819010187.db2.gz IIMKBPZTHBTKSA-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235116944 819010192 /nfs/dbraw/zinc/01/01/92/819010192.db2.gz IIMKBPZTHBTKSA-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167321 819021400 /nfs/dbraw/zinc/02/14/00/819021400.db2.gz HZLRHBWCIHUBGV-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235167321 819021404 /nfs/dbraw/zinc/02/14/04/819021404.db2.gz HZLRHBWCIHUBGV-SFHVURJKSA-N 2 2 288.435 3.193 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185695 819028084 /nfs/dbraw/zinc/02/80/84/819028084.db2.gz WEPLAKGEDFUJFE-NEPJUHHUSA-N 2 2 296.867 3.103 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185695 819028090 /nfs/dbraw/zinc/02/80/90/819028090.db2.gz WEPLAKGEDFUJFE-NEPJUHHUSA-N 2 2 296.867 3.103 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001235248043 819048630 /nfs/dbraw/zinc/04/86/30/819048630.db2.gz LRKPRBSDHRNDRA-VQIMIIECSA-N 2 2 293.414 3.062 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001235248043 819048633 /nfs/dbraw/zinc/04/86/33/819048633.db2.gz LRKPRBSDHRNDRA-VQIMIIECSA-N 2 2 293.414 3.062 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256140 819052063 /nfs/dbraw/zinc/05/20/63/819052063.db2.gz FQRCPJZQQIRTGG-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256140 819052069 /nfs/dbraw/zinc/05/20/69/819052069.db2.gz FQRCPJZQQIRTGG-RBUKOAKNSA-N 2 2 278.399 3.147 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1Cl ZINC001235262944 819055294 /nfs/dbraw/zinc/05/52/94/819055294.db2.gz LXTLBHAQEFWNFX-LSDHHAIUSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1Cl ZINC001235262944 819055298 /nfs/dbraw/zinc/05/52/98/819055298.db2.gz LXTLBHAQEFWNFX-LSDHHAIUSA-N 2 2 278.827 3.141 20 0 CGADLP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235342042 819071642 /nfs/dbraw/zinc/07/16/42/819071642.db2.gz GTWDASCRRBWEQO-CYBMUJFWSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCC[NH2+]C1 ZINC001235342042 819071645 /nfs/dbraw/zinc/07/16/45/819071645.db2.gz GTWDASCRRBWEQO-CYBMUJFWSA-N 2 2 277.799 3.005 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235408580 819087498 /nfs/dbraw/zinc/08/74/98/819087498.db2.gz URFTVPDTGVIEDN-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(Cl)c1 ZINC001235408580 819087504 /nfs/dbraw/zinc/08/75/04/819087504.db2.gz URFTVPDTGVIEDN-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)CCC[NH3+])c(Br)c1 ZINC001235435739 819100340 /nfs/dbraw/zinc/10/03/40/819100340.db2.gz XESOZLQGNTYJGB-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)CCC[NH3+])c(Br)c1 ZINC001235435739 819100341 /nfs/dbraw/zinc/10/03/41/819100341.db2.gz XESOZLQGNTYJGB-UHFFFAOYSA-N 2 2 299.256 3.353 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675423 819135308 /nfs/dbraw/zinc/13/53/08/819135308.db2.gz XYHBVKYJRWBJNT-ZDUSSCGKSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC001235675423 819135311 /nfs/dbraw/zinc/13/53/11/819135311.db2.gz XYHBVKYJRWBJNT-ZDUSSCGKSA-N 2 2 296.842 3.298 20 0 CGADLP CC1([NH3+])CC[NH+](CCc2c(Cl)cccc2Cl)CC1 ZINC001235748384 819160647 /nfs/dbraw/zinc/16/06/47/819160647.db2.gz LPZIVLKZIPRORN-UHFFFAOYSA-N 2 2 287.234 3.349 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891207 819200636 /nfs/dbraw/zinc/20/06/36/819200636.db2.gz HGTSUHZPIQLEON-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891207 819200639 /nfs/dbraw/zinc/20/06/39/819200639.db2.gz HGTSUHZPIQLEON-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235930953 819229093 /nfs/dbraw/zinc/22/90/93/819229093.db2.gz YPFMZXXPAXQVMI-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235930953 819229099 /nfs/dbraw/zinc/22/90/99/819229099.db2.gz YPFMZXXPAXQVMI-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956964 819245644 /nfs/dbraw/zinc/24/56/44/819245644.db2.gz IWZBZQXCYKBVAI-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235956964 819245652 /nfs/dbraw/zinc/24/56/52/819245652.db2.gz IWZBZQXCYKBVAI-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP C[N@H+](C/C=C/c1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235963323 819250799 /nfs/dbraw/zinc/25/07/99/819250799.db2.gz TWGJZVCYIDNKCY-BNOPAZPUSA-N 2 2 280.415 3.202 20 0 CGADLP C[N@@H+](C/C=C/c1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235963323 819250801 /nfs/dbraw/zinc/25/08/01/819250801.db2.gz TWGJZVCYIDNKCY-BNOPAZPUSA-N 2 2 280.415 3.202 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1C)[C@H]1CCC[NH2+]C1 ZINC001236008686 819271826 /nfs/dbraw/zinc/27/18/26/819271826.db2.gz IOSZQLDVNFQVQP-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1C)[C@H]1CCC[NH2+]C1 ZINC001236008686 819271830 /nfs/dbraw/zinc/27/18/30/819271830.db2.gz IOSZQLDVNFQVQP-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045252 819282415 /nfs/dbraw/zinc/28/24/15/819282415.db2.gz BLCCNRACPQMFOX-YOEHRIQHSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236045252 819282419 /nfs/dbraw/zinc/28/24/19/819282419.db2.gz BLCCNRACPQMFOX-YOEHRIQHSA-N 2 2 260.425 3.198 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc(C)c1OC(C)C ZINC001236050316 819287750 /nfs/dbraw/zinc/28/77/50/819287750.db2.gz HQIJUDBOXIPUFO-SUMWQHHRSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc(C)c1OC(C)C ZINC001236050316 819287755 /nfs/dbraw/zinc/28/77/55/819287755.db2.gz HQIJUDBOXIPUFO-SUMWQHHRSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236052170 819289273 /nfs/dbraw/zinc/28/92/73/819289273.db2.gz OTVHXOJFCQMNBU-BBRMVZONSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236052170 819289276 /nfs/dbraw/zinc/28/92/76/819289276.db2.gz OTVHXOJFCQMNBU-BBRMVZONSA-N 2 2 290.451 3.260 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)CCC[NH2+]1 ZINC001236095779 819314364 /nfs/dbraw/zinc/31/43/64/819314364.db2.gz YQSYWEIKWLNYEQ-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)CCC[NH2+]1 ZINC001236095779 819314369 /nfs/dbraw/zinc/31/43/69/819314369.db2.gz YQSYWEIKWLNYEQ-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236118563 819328252 /nfs/dbraw/zinc/32/82/52/819328252.db2.gz NFTLEFIAPDZJNJ-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001236118563 819328255 /nfs/dbraw/zinc/32/82/55/819328255.db2.gz NFTLEFIAPDZJNJ-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1ccc(C)c2ccccc12 ZINC001236143782 819343535 /nfs/dbraw/zinc/34/35/35/819343535.db2.gz NKBADMPWYNPCIE-UHFFFAOYSA-N 2 2 256.393 3.190 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1ccc(C)c2ccccc12 ZINC001236143782 819343539 /nfs/dbraw/zinc/34/35/39/819343539.db2.gz NKBADMPWYNPCIE-UHFFFAOYSA-N 2 2 256.393 3.190 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001236143941 819343556 /nfs/dbraw/zinc/34/35/56/819343556.db2.gz NLFOEIKLKUJKCX-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(COc2ccccc2)cc1 ZINC001236143941 819343560 /nfs/dbraw/zinc/34/35/60/819343560.db2.gz NLFOEIKLKUJKCX-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236201064 819365466 /nfs/dbraw/zinc/36/54/66/819365466.db2.gz JVDHOAZELOKVPL-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236201064 819365472 /nfs/dbraw/zinc/36/54/72/819365472.db2.gz JVDHOAZELOKVPL-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP C[N@H+](Cc1ccc(Br)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236201072 819365558 /nfs/dbraw/zinc/36/55/58/819365558.db2.gz KFAYYGTVIAHNMM-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1ccc(Br)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236201072 819365565 /nfs/dbraw/zinc/36/55/65/819365565.db2.gz KFAYYGTVIAHNMM-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@H+](Cc1ccc2occc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208144 819370654 /nfs/dbraw/zinc/37/06/54/819370654.db2.gz RCMUHQSKKWIVAO-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1ccc2occc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208144 819370658 /nfs/dbraw/zinc/37/06/58/819370658.db2.gz RCMUHQSKKWIVAO-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216705 819380170 /nfs/dbraw/zinc/38/01/70/819380170.db2.gz LSJOVDDACQKXSW-GJZGRUSLSA-N 2 2 275.371 3.009 20 0 CGADLP C[N@@H+](Cc1cc2cccc(F)c2[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216705 819380176 /nfs/dbraw/zinc/38/01/76/819380176.db2.gz LSJOVDDACQKXSW-GJZGRUSLSA-N 2 2 275.371 3.009 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216474 819381340 /nfs/dbraw/zinc/38/13/40/819381340.db2.gz NSGIXFMMRVMFFC-INIZCTEOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216474 819381342 /nfs/dbraw/zinc/38/13/42/819381342.db2.gz NSGIXFMMRVMFFC-INIZCTEOSA-N 2 2 258.409 3.020 20 0 CGADLP C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220477 819387834 /nfs/dbraw/zinc/38/78/34/819387834.db2.gz ZIUUODACMOSSKA-LSDHHAIUSA-N 2 2 263.429 3.014 20 0 CGADLP C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220477 819387841 /nfs/dbraw/zinc/38/78/41/819387841.db2.gz ZIUUODACMOSSKA-LSDHHAIUSA-N 2 2 263.429 3.014 20 0 CGADLP CCOc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236227555 819390529 /nfs/dbraw/zinc/39/05/29/819390529.db2.gz GUNZXEDJQIZRPQ-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CCOc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(Cl)c1 ZINC001236227555 819390533 /nfs/dbraw/zinc/39/05/33/819390533.db2.gz GUNZXEDJQIZRPQ-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237603 819395992 /nfs/dbraw/zinc/39/59/92/819395992.db2.gz SPGPCLNZUHRWHV-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237603 819395998 /nfs/dbraw/zinc/39/59/98/819395998.db2.gz SPGPCLNZUHRWHV-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP CC[C@@H](C)C[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236391936 819447454 /nfs/dbraw/zinc/44/74/54/819447454.db2.gz IQJZHRNWAHMJJQ-PBHICJAKSA-N 2 2 278.415 3.426 20 0 CGADLP CC[C@@H](C)C[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236391936 819447460 /nfs/dbraw/zinc/44/74/60/819447460.db2.gz IQJZHRNWAHMJJQ-PBHICJAKSA-N 2 2 278.415 3.426 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001236422415 819468764 /nfs/dbraw/zinc/46/87/64/819468764.db2.gz VCXIKEVHXYWPRF-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001236422415 819468768 /nfs/dbraw/zinc/46/87/68/819468768.db2.gz VCXIKEVHXYWPRF-MRXNPFEDSA-N 2 2 290.451 3.274 20 0 CGADLP c1cc(C[N@@H+](CC2CCCCC2)[C@@H]2CCC[NH2+]C2)ccn1 ZINC001236438196 819479696 /nfs/dbraw/zinc/47/96/96/819479696.db2.gz SHWGOWMZNWRKKU-GOSISDBHSA-N 2 2 287.451 3.216 20 0 CGADLP c1cc(C[N@H+](CC2CCCCC2)[C@@H]2CCC[NH2+]C2)ccn1 ZINC001236438196 819479701 /nfs/dbraw/zinc/47/97/01/819479701.db2.gz SHWGOWMZNWRKKU-GOSISDBHSA-N 2 2 287.451 3.216 20 0 CGADLP CC(C)[N@H+](Cc1cccc2ncsc21)[C@@H]1CCC[NH2+]C1 ZINC001236470829 819491314 /nfs/dbraw/zinc/49/13/14/819491314.db2.gz QOWKNFARYMHGGR-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2ncsc21)[C@@H]1CCC[NH2+]C1 ZINC001236470829 819491319 /nfs/dbraw/zinc/49/13/19/819491319.db2.gz QOWKNFARYMHGGR-CQSZACIVSA-N 2 2 289.448 3.259 20 0 CGADLP C[C@H]1C[C@H]1C[N@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511559 819509556 /nfs/dbraw/zinc/50/95/56/819509556.db2.gz QQNJUVYZGGWLRW-STQMWFEESA-N 2 2 294.389 3.175 20 0 CGADLP C[C@H]1C[C@H]1C[N@@H+](Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC001236511559 819509561 /nfs/dbraw/zinc/50/95/61/819509561.db2.gz QQNJUVYZGGWLRW-STQMWFEESA-N 2 2 294.389 3.175 20 0 CGADLP CCCOc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236529473 819521327 /nfs/dbraw/zinc/52/13/27/819521327.db2.gz MPINGHXVRRBDKI-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236529473 819521332 /nfs/dbraw/zinc/52/13/32/819521332.db2.gz MPINGHXVRRBDKI-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP Fc1cccc2c(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)cccc12 ZINC001236533541 819525895 /nfs/dbraw/zinc/52/58/95/819525895.db2.gz WLNSIOFNRZYKCI-OAHLLOKOSA-N 2 2 284.378 3.305 20 0 CGADLP Fc1cccc2c(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)cccc12 ZINC001236533541 819525901 /nfs/dbraw/zinc/52/59/01/819525901.db2.gz WLNSIOFNRZYKCI-OAHLLOKOSA-N 2 2 284.378 3.305 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236829896 819610103 /nfs/dbraw/zinc/61/01/03/819610103.db2.gz LKFCTZHJLPUGBH-FIXISWKDSA-N 2 2 299.245 3.471 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236829896 819610106 /nfs/dbraw/zinc/61/01/06/819610106.db2.gz LKFCTZHJLPUGBH-FIXISWKDSA-N 2 2 299.245 3.471 20 0 CGADLP CCC[N@@H+](Cc1c(Cl)cccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236834785 819613143 /nfs/dbraw/zinc/61/31/43/819613143.db2.gz HZAJRKBFIZASBS-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCC[N@H+](Cc1c(Cl)cccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236834785 819613150 /nfs/dbraw/zinc/61/31/50/819613150.db2.gz HZAJRKBFIZASBS-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236854173 819623666 /nfs/dbraw/zinc/62/36/66/819623666.db2.gz GSFQUYKNQIFWSU-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236854173 819623669 /nfs/dbraw/zinc/62/36/69/819623669.db2.gz GSFQUYKNQIFWSU-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236854173 819623671 /nfs/dbraw/zinc/62/36/71/819623671.db2.gz GSFQUYKNQIFWSU-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236854173 819623673 /nfs/dbraw/zinc/62/36/73/819623673.db2.gz GSFQUYKNQIFWSU-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(C)c3Cl)C[C@@H]2C1 ZINC001236860271 819624486 /nfs/dbraw/zinc/62/44/86/819624486.db2.gz XZGJFJGHCXPYMN-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1ccc(-c2cncc(C[N@@H+](C)CCC[NH+](C)C)c2)cc1 ZINC001236997860 819642512 /nfs/dbraw/zinc/64/25/12/819642512.db2.gz ZMKZPYXSXAJSAS-UHFFFAOYSA-N 2 2 297.446 3.441 20 0 CGADLP Cc1ccc(-c2cncc(C[N@H+](C)CCC[NH+](C)C)c2)cc1 ZINC001236997860 819642515 /nfs/dbraw/zinc/64/25/15/819642515.db2.gz ZMKZPYXSXAJSAS-UHFFFAOYSA-N 2 2 297.446 3.441 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001237059815 819656236 /nfs/dbraw/zinc/65/62/36/819656236.db2.gz VVJCAUROGHLLSG-GXFFZTMASA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001237059815 819656244 /nfs/dbraw/zinc/65/62/44/819656244.db2.gz VVJCAUROGHLLSG-GXFFZTMASA-N 2 2 285.229 3.179 20 0 CGADLP COc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1C ZINC001237153002 819681816 /nfs/dbraw/zinc/68/18/16/819681816.db2.gz AQBAKFUDVGWAAP-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1C ZINC001237153002 819681820 /nfs/dbraw/zinc/68/18/20/819681820.db2.gz AQBAKFUDVGWAAP-KRWDZBQOSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1cccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001237460035 819755476 /nfs/dbraw/zinc/75/54/76/819755476.db2.gz FVCUKQUMOZRRGB-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001237460035 819755481 /nfs/dbraw/zinc/75/54/81/819755481.db2.gz FVCUKQUMOZRRGB-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001237460035 819755483 /nfs/dbraw/zinc/75/54/83/819755483.db2.gz FVCUKQUMOZRRGB-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001237460035 819755488 /nfs/dbraw/zinc/75/54/88/819755488.db2.gz FVCUKQUMOZRRGB-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(Cl)c3C)C[C@@H]2C1 ZINC001237732484 819823300 /nfs/dbraw/zinc/82/33/00/819823300.db2.gz MCQPGGUTFBXJEZ-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1sccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001237969465 819897885 /nfs/dbraw/zinc/89/78/85/819897885.db2.gz ZSTYUGCGBFAUMF-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP Cc1sccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001237969465 819897896 /nfs/dbraw/zinc/89/78/96/819897896.db2.gz ZSTYUGCGBFAUMF-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(Cl)c(C)c3)C[C@@H]2C1 ZINC001238094075 819931934 /nfs/dbraw/zinc/93/19/34/819931934.db2.gz VIHWVDLEMOERBK-HOTGVXAUSA-N 2 2 292.854 3.340 20 0 CGADLP CCc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239587689 820436796 /nfs/dbraw/zinc/43/67/96/820436796.db2.gz DSTXCDCRUXNAMC-UHFFFAOYSA-N 2 2 277.371 3.251 20 0 CGADLP CCc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001239588489 820437355 /nfs/dbraw/zinc/43/73/55/820437355.db2.gz DXJIIESWCCHTKK-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001239588489 820437363 /nfs/dbraw/zinc/43/73/63/820437363.db2.gz DXJIIESWCCHTKK-IBGZPJMESA-N 2 2 280.415 3.449 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC001239657465 820494951 /nfs/dbraw/zinc/49/49/51/820494951.db2.gz LCIQMYZRDQQJQH-KRWDZBQOSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cc(F)cc(F)c3)cc2)C1 ZINC001239657465 820494959 /nfs/dbraw/zinc/49/49/59/820494959.db2.gz LCIQMYZRDQQJQH-KRWDZBQOSA-N 2 2 288.341 3.165 20 0 CGADLP Cc1cc(F)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001239740281 820562125 /nfs/dbraw/zinc/56/21/25/820562125.db2.gz UYCNAGYJQLTRRF-UHFFFAOYSA-N 2 2 281.334 3.136 20 0 CGADLP CC(C)([NH3+])c1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240218477 820891691 /nfs/dbraw/zinc/89/16/91/820891691.db2.gz DWVBGUPPRKHIGS-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP c1cn2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001240510356 821105244 /nfs/dbraw/zinc/10/52/44/821105244.db2.gz ITHOHUOOLUXYEA-INIZCTEOSA-N 2 2 263.344 3.426 20 0 CGADLP [NH3+]C1(c2ccccc2-c2ccn3cc[nH+]c3c2)CCC1 ZINC001240513689 821109950 /nfs/dbraw/zinc/10/99/50/821109950.db2.gz ZSQPARLMQPDCBL-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP Cc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240922670 821417360 /nfs/dbraw/zinc/41/73/60/821417360.db2.gz OWSKWIGFZPJVRT-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240922670 821417362 /nfs/dbraw/zinc/41/73/62/821417362.db2.gz OWSKWIGFZPJVRT-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)Cc1ccncc1-c1c[nH+]c(N(C)C)cc1C ZINC001241251833 821673345 /nfs/dbraw/zinc/67/33/45/821673345.db2.gz LZIBKEJZGFWKQJ-UHFFFAOYSA-N 2 2 298.434 3.360 20 0 CGADLP Cc1cc(-c2cccc(Cn3cc[nH+]c3N)c2)cc(C)[nH+]1 ZINC001241993779 822261769 /nfs/dbraw/zinc/26/17/69/822261769.db2.gz CWSRDSSXFSOKIT-UHFFFAOYSA-N 2 2 278.359 3.192 20 0 CGADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1F ZINC001242028885 822291872 /nfs/dbraw/zinc/29/18/72/822291872.db2.gz GRSOTOMIGMDHRE-UHFFFAOYSA-N 2 2 299.324 3.275 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC001348655055 936929397 /nfs/dbraw/zinc/92/93/97/936929397.db2.gz QHBWOXDSFOILFY-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC001348655055 936929400 /nfs/dbraw/zinc/92/94/00/936929400.db2.gz QHBWOXDSFOILFY-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001351380894 937016166 /nfs/dbraw/zinc/01/61/66/937016166.db2.gz AVZSBCNOGUTRRA-CQSZACIVSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001351380894 937016168 /nfs/dbraw/zinc/01/61/68/937016168.db2.gz AVZSBCNOGUTRRA-CQSZACIVSA-N 2 2 275.440 3.111 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC001560623496 937215466 /nfs/dbraw/zinc/21/54/66/937215466.db2.gz YYTSSELRCZUUOR-JVLSTEMRSA-N 2 2 299.245 3.423 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)[C@@H]2C1 ZINC001560623496 937215470 /nfs/dbraw/zinc/21/54/70/937215470.db2.gz YYTSSELRCZUUOR-JVLSTEMRSA-N 2 2 299.245 3.423 20 0 CGADLP CC[N@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000150289698 937221388 /nfs/dbraw/zinc/22/13/88/937221388.db2.gz VCAZULIGPUFKKN-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@@H+](Cc1ccc(C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000150289698 937221390 /nfs/dbraw/zinc/22/13/90/937221390.db2.gz VCAZULIGPUFKKN-CQSZACIVSA-N 2 2 268.351 3.198 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(F)c1 ZINC001275428318 928521885 /nfs/dbraw/zinc/52/18/85/928521885.db2.gz YOSFIEWWQMNYSU-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(F)c1 ZINC001275428318 928521896 /nfs/dbraw/zinc/52/18/96/928521896.db2.gz YOSFIEWWQMNYSU-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(F)c1 ZINC001275428318 928521899 /nfs/dbraw/zinc/52/18/99/928521899.db2.gz YOSFIEWWQMNYSU-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(F)c1 ZINC001275428318 928521904 /nfs/dbraw/zinc/52/19/04/928521904.db2.gz YOSFIEWWQMNYSU-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954506 932509216 /nfs/dbraw/zinc/50/92/16/932509216.db2.gz PTUYCBMJCHXSLY-KRWDZBQOSA-N 2 2 285.391 3.124 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229954506 932509221 /nfs/dbraw/zinc/50/92/21/932509221.db2.gz PTUYCBMJCHXSLY-KRWDZBQOSA-N 2 2 285.391 3.124 20 0 CGADLP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001306923966 932764842 /nfs/dbraw/zinc/76/48/42/932764842.db2.gz JAXVYKJDUSXEFN-HNNXBMFYSA-N 2 2 290.455 3.441 20 0 CGADLP CCc1cc(NCCC[N@@H+]2CCCC[C@H]2C)nc(CC)[nH+]1 ZINC001306917391 932895371 /nfs/dbraw/zinc/89/53/71/932895371.db2.gz QECADLDVTIBLHL-CQSZACIVSA-N 2 2 290.455 3.278 20 0 CGADLP CCc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(CC)[nH+]1 ZINC001306917391 932895378 /nfs/dbraw/zinc/89/53/78/932895378.db2.gz QECADLDVTIBLHL-CQSZACIVSA-N 2 2 290.455 3.278 20 0 CGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307752768 932995793 /nfs/dbraw/zinc/99/57/93/932995793.db2.gz BCXHYKZCFVHGRY-XUWVNRHRSA-N 2 2 284.513 3.228 20 0 CGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001307752768 932995797 /nfs/dbraw/zinc/99/57/97/932995797.db2.gz BCXHYKZCFVHGRY-XUWVNRHRSA-N 2 2 284.513 3.228 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001307924364 933022695 /nfs/dbraw/zinc/02/26/95/933022695.db2.gz QAYFVHAKDYQCAR-KKUMJFAQSA-N 2 2 254.462 3.379 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001308264646 933084321 /nfs/dbraw/zinc/08/43/21/933084321.db2.gz QEOOMNLVNLCMAG-FXUDXRNXSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001308264646 933084322 /nfs/dbraw/zinc/08/43/22/933084322.db2.gz QEOOMNLVNLCMAG-FXUDXRNXSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C ZINC001308395135 933105025 /nfs/dbraw/zinc/10/50/25/933105025.db2.gz KBFMKGYNVDEZAY-PNBKFKSVSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C[C@H]1C ZINC001308395135 933105030 /nfs/dbraw/zinc/10/50/30/933105030.db2.gz KBFMKGYNVDEZAY-PNBKFKSVSA-N 2 2 264.457 3.418 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001308904370 933200563 /nfs/dbraw/zinc/20/05/63/933200563.db2.gz LLVNFVPZYAMZOQ-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001308904370 933200564 /nfs/dbraw/zinc/20/05/64/933200564.db2.gz LLVNFVPZYAMZOQ-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001308904370 933200567 /nfs/dbraw/zinc/20/05/67/933200567.db2.gz LLVNFVPZYAMZOQ-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001308904370 933200569 /nfs/dbraw/zinc/20/05/69/933200569.db2.gz LLVNFVPZYAMZOQ-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001319813510 933936917 /nfs/dbraw/zinc/93/69/17/933936917.db2.gz BRBTVLOUVMWNRS-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001319813510 933936925 /nfs/dbraw/zinc/93/69/25/933936925.db2.gz BRBTVLOUVMWNRS-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001319813510 933936934 /nfs/dbraw/zinc/93/69/34/933936934.db2.gz BRBTVLOUVMWNRS-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001319813510 933936945 /nfs/dbraw/zinc/93/69/45/933936945.db2.gz BRBTVLOUVMWNRS-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001319813509 933936967 /nfs/dbraw/zinc/93/69/67/933936967.db2.gz BRBTVLOUVMWNRS-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001319813509 933936974 /nfs/dbraw/zinc/93/69/74/933936974.db2.gz BRBTVLOUVMWNRS-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001319813509 933936983 /nfs/dbraw/zinc/93/69/83/933936983.db2.gz BRBTVLOUVMWNRS-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001319813509 933936989 /nfs/dbraw/zinc/93/69/89/933936989.db2.gz BRBTVLOUVMWNRS-MJGOQNOKSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C2CCC2)[nH+]1 ZINC001472662607 937779919 /nfs/dbraw/zinc/77/99/19/937779919.db2.gz CGQIZSGYWUBFDU-CYBMUJFWSA-N 2 2 288.439 3.196 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1c[nH+]ccc1N ZINC001325743046 934925821 /nfs/dbraw/zinc/92/58/21/934925821.db2.gz IQIOVUWTCWUGOY-JTQLQIEISA-N 2 2 277.318 3.283 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC001328508105 935145191 /nfs/dbraw/zinc/14/51/91/935145191.db2.gz VTJVXOJCTRACPL-GFCCVEGCSA-N 2 2 260.406 3.113 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001334054665 936082360 /nfs/dbraw/zinc/08/23/60/936082360.db2.gz ISBNXVXVBBGPFX-BFYDXBDKSA-N 2 2 294.389 3.370 20 0 CGADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001334054665 936082363 /nfs/dbraw/zinc/08/23/63/936082363.db2.gz ISBNXVXVBBGPFX-BFYDXBDKSA-N 2 2 294.389 3.370 20 0 CGADLP FC(F)(F)CCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001335520481 936150818 /nfs/dbraw/zinc/15/08/18/936150818.db2.gz QSYPHNACNPBOBH-UHFFFAOYSA-N 2 2 297.324 3.364 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+](C)C ZINC001473924875 937830429 /nfs/dbraw/zinc/83/04/29/937830429.db2.gz OHBRWJUTMKZFKL-RBUKOAKNSA-N 2 2 288.479 3.500 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1Cl ZINC001473928309 937830857 /nfs/dbraw/zinc/83/08/57/937830857.db2.gz XCXNPCRPABETKI-GFCCVEGCSA-N 2 2 263.772 3.023 20 0 CGADLP c1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC001473969253 937832685 /nfs/dbraw/zinc/83/26/85/937832685.db2.gz LHKNYKDHWFCZTM-UHFFFAOYSA-N 2 2 293.480 3.277 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001548900208 938153701 /nfs/dbraw/zinc/15/37/01/938153701.db2.gz GFZWVGKNTXIROL-FGTMMUONSA-N 2 2 295.430 3.403 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001548900208 938153702 /nfs/dbraw/zinc/15/37/02/938153702.db2.gz GFZWVGKNTXIROL-FGTMMUONSA-N 2 2 295.430 3.403 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC001551377954 938180558 /nfs/dbraw/zinc/18/05/58/938180558.db2.gz KXMIWZQUOYHHIM-GBESFXJTSA-N 2 2 293.414 3.148 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551378590 938180764 /nfs/dbraw/zinc/18/07/64/938180764.db2.gz RBXOOSFTULALSA-KKXDTOCCSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001551403697 938181798 /nfs/dbraw/zinc/18/17/98/938181798.db2.gz UXCCIGYSEHTCBQ-XGXHKWSGSA-N 2 2 278.399 3.004 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1F)C1CCC1 ZINC001559651054 938231809 /nfs/dbraw/zinc/23/18/09/938231809.db2.gz WWEIOHPXVARKJL-UHFFFAOYSA-N 2 2 287.382 3.156 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001559651054 938231810 /nfs/dbraw/zinc/23/18/10/938231810.db2.gz WWEIOHPXVARKJL-UHFFFAOYSA-N 2 2 287.382 3.156 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC001559751962 938234702 /nfs/dbraw/zinc/23/47/02/938234702.db2.gz PKBWUZZKZWAQMM-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](c1ccc(F)cc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001560044159 938242636 /nfs/dbraw/zinc/24/26/36/938242636.db2.gz WTVXGWHIDHXXKZ-COXVUDFISA-N 2 2 276.399 3.160 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560266079 938250242 /nfs/dbraw/zinc/25/02/42/938250242.db2.gz OXAMXPCQWANMJI-QFBILLFUSA-N 2 2 286.463 3.256 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560266079 938250243 /nfs/dbraw/zinc/25/02/43/938250243.db2.gz OXAMXPCQWANMJI-QFBILLFUSA-N 2 2 286.463 3.256 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001560326603 938253046 /nfs/dbraw/zinc/25/30/46/938253046.db2.gz FVLXVCXVXQABOB-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001560326603 938253047 /nfs/dbraw/zinc/25/30/47/938253047.db2.gz FVLXVCXVXQABOB-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1C ZINC001560909353 938283201 /nfs/dbraw/zinc/28/32/01/938283201.db2.gz ROIGAFJFTMZVBJ-UUAJXVIYSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@H]1C ZINC001560909353 938283202 /nfs/dbraw/zinc/28/32/02/938283202.db2.gz ROIGAFJFTMZVBJ-UUAJXVIYSA-N 2 2 264.457 3.418 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001560934870 938285131 /nfs/dbraw/zinc/28/51/31/938285131.db2.gz CETCLEZHKQAKBA-GDBMZVCRSA-N 2 2 292.492 3.413 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001560934870 938285132 /nfs/dbraw/zinc/28/51/32/938285132.db2.gz CETCLEZHKQAKBA-GDBMZVCRSA-N 2 2 292.492 3.413 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2SC)C1 ZINC001560945246 938285870 /nfs/dbraw/zinc/28/58/70/938285870.db2.gz UWQJJAYOUZSREU-GDBMZVCRSA-N 2 2 292.492 3.413 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2SC)C1 ZINC001560945246 938285872 /nfs/dbraw/zinc/28/58/72/938285872.db2.gz UWQJJAYOUZSREU-GDBMZVCRSA-N 2 2 292.492 3.413 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001560972600 938287521 /nfs/dbraw/zinc/28/75/21/938287521.db2.gz SCFXPUYGCISMQX-GOEBONIOSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001560972600 938287522 /nfs/dbraw/zinc/28/75/22/938287522.db2.gz SCFXPUYGCISMQX-GOEBONIOSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972600 938287524 /nfs/dbraw/zinc/28/75/24/938287524.db2.gz SCFXPUYGCISMQX-GOEBONIOSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972600 938287526 /nfs/dbraw/zinc/28/75/26/938287526.db2.gz SCFXPUYGCISMQX-GOEBONIOSA-N 2 2 290.451 3.412 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC001580371918 960488008 /nfs/dbraw/zinc/48/80/08/960488008.db2.gz BHQJSXRBGRZQBA-VXGBXAGGSA-N 2 2 290.379 3.095 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001576502927 962470916 /nfs/dbraw/zinc/47/09/16/962470916.db2.gz JFTRQGTUDLLPML-QGZVFWFLSA-N 2 2 286.375 3.243 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC001576502927 962470924 /nfs/dbraw/zinc/47/09/24/962470924.db2.gz JFTRQGTUDLLPML-QGZVFWFLSA-N 2 2 286.375 3.243 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC1(SC)CCC1 ZINC001578275631 962582044 /nfs/dbraw/zinc/58/20/44/962582044.db2.gz TUDOXJTTYUUYEN-OAHLLOKOSA-N 2 2 278.465 3.124 20 0 CGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC001579800737 962676254 /nfs/dbraw/zinc/67/62/54/962676254.db2.gz YRKNNKKHOLXKTF-MRXNPFEDSA-N 2 2 268.404 3.344 20 0 CGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC001579800737 962676268 /nfs/dbraw/zinc/67/62/68/962676268.db2.gz YRKNNKKHOLXKTF-MRXNPFEDSA-N 2 2 268.404 3.344 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000621268481 349486053 /nfs/dbraw/zinc/48/60/53/349486053.db2.gz LUXWJVFCHKSVCI-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000621268481 349486054 /nfs/dbraw/zinc/48/60/54/349486054.db2.gz LUXWJVFCHKSVCI-WFASDCNBSA-N 2 2 290.798 3.015 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000337441490 214083136 /nfs/dbraw/zinc/08/31/36/214083136.db2.gz GGHNZLAIZNOLDI-KRWDZBQOSA-N 2 2 287.382 3.071 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000337441490 214083140 /nfs/dbraw/zinc/08/31/40/214083140.db2.gz GGHNZLAIZNOLDI-KRWDZBQOSA-N 2 2 287.382 3.071 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000651225506 398218176 /nfs/dbraw/zinc/21/81/76/398218176.db2.gz DPUINYHOUVIUOC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000651225506 398218180 /nfs/dbraw/zinc/21/81/80/398218180.db2.gz DPUINYHOUVIUOC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP c1c2cnccc2oc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000651611535 398258110 /nfs/dbraw/zinc/25/81/10/398258110.db2.gz AMPWQAAFILMXIJ-UHFFFAOYSA-N 2 2 299.418 3.278 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783994 349586072 /nfs/dbraw/zinc/58/60/72/349586072.db2.gz IBXJWOXMILWJJW-FUHWJXTLSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783994 349586075 /nfs/dbraw/zinc/58/60/75/349586075.db2.gz IBXJWOXMILWJJW-FUHWJXTLSA-N 2 2 288.435 3.132 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750522 398281757 /nfs/dbraw/zinc/28/17/57/398281757.db2.gz MCRMUKOFGMFIAY-GDBMZVCRSA-N 2 2 271.408 3.435 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000651786561 398287862 /nfs/dbraw/zinc/28/78/62/398287862.db2.gz AIXSEBRWOYEEEU-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000651786561 398287865 /nfs/dbraw/zinc/28/78/65/398287865.db2.gz AIXSEBRWOYEEEU-GOEBONIOSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797182 398289439 /nfs/dbraw/zinc/28/94/39/398289439.db2.gz BYIZEZBYIWSVIT-UKRRQHHQSA-N 2 2 261.413 3.278 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651828403 398294868 /nfs/dbraw/zinc/29/48/68/398294868.db2.gz HIAFFCLNILLSPN-CYBMUJFWSA-N 2 2 293.773 3.032 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCC34CCCC4)c2)c[nH+]1 ZINC000651873860 398299711 /nfs/dbraw/zinc/29/97/11/398299711.db2.gz ZUSAWOYQRUKJSN-UHFFFAOYSA-N 2 2 273.405 3.452 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCC34CCCC4)c2)c[nH+]1 ZINC000651873860 398299713 /nfs/dbraw/zinc/29/97/13/398299713.db2.gz ZUSAWOYQRUKJSN-UHFFFAOYSA-N 2 2 273.405 3.452 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC4(F)F)CC3)n2c1 ZINC000651953627 398311745 /nfs/dbraw/zinc/31/17/45/398311745.db2.gz PIDBZRSUDMRRLJ-UHFFFAOYSA-N 2 2 291.345 3.264 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689652 529437265 /nfs/dbraw/zinc/43/72/65/529437265.db2.gz GDYLEOFUNQTCIL-HOTGVXAUSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689652 529437268 /nfs/dbraw/zinc/43/72/68/529437268.db2.gz GDYLEOFUNQTCIL-HOTGVXAUSA-N 2 2 270.436 3.178 20 0 CGADLP CCCC1CCC([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000518272906 534927514 /nfs/dbraw/zinc/92/75/14/534927514.db2.gz RFPWAOXPWDFKEY-MRLCAUJQSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cc(-c2cccc(OCC[NH+](C)C)c2)c2[nH+]ccn2c1 ZINC000623168407 349761101 /nfs/dbraw/zinc/76/11/01/349761101.db2.gz REJLRVSBZSJAFQ-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423513676 529611414 /nfs/dbraw/zinc/61/14/14/529611414.db2.gz VPAUBDXDKFFHHQ-PBHICJAKSA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCC1 ZINC000449121338 529596652 /nfs/dbraw/zinc/59/66/52/529596652.db2.gz HJYNNQOMDHFIPU-HNNXBMFYSA-N 2 2 261.413 3.442 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000423287115 529603175 /nfs/dbraw/zinc/60/31/75/529603175.db2.gz KJHMWRIJOQLPKX-KRWDZBQOSA-N 2 2 275.440 3.435 20 0 CGADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089494 349758828 /nfs/dbraw/zinc/75/88/28/349758828.db2.gz KAQOQAGYXNOVLU-DZGCQCFKSA-N 2 2 288.426 3.379 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000414066166 529632217 /nfs/dbraw/zinc/63/22/17/529632217.db2.gz PILYAOOPLAGZHK-JLSDUUJJSA-N 2 2 283.419 3.456 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423496445 529616831 /nfs/dbraw/zinc/61/68/31/529616831.db2.gz DWAMOVGQXYLZFT-BRWVUGGUSA-N 2 2 258.409 3.027 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361652 349788981 /nfs/dbraw/zinc/78/89/81/349788981.db2.gz JECZNBBBEDVCKC-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361652 349788986 /nfs/dbraw/zinc/78/89/86/349788986.db2.gz JECZNBBBEDVCKC-JSGCOSHPSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000423547252 529655945 /nfs/dbraw/zinc/65/59/45/529655945.db2.gz FYEPUKWSBXIMAX-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423374472 529661991 /nfs/dbraw/zinc/66/19/91/529661991.db2.gz WWLOKOUIFSQSRZ-TUKIKUTGSA-N 2 2 298.377 3.327 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623384020 349795851 /nfs/dbraw/zinc/79/58/51/349795851.db2.gz LPBUXIOGXMXTHL-VIFPVBQESA-N 2 2 280.359 3.197 20 0 CGADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCS1 ZINC000127882183 187339275 /nfs/dbraw/zinc/33/92/75/187339275.db2.gz SYFJEHXTTCQDOZ-MRXNPFEDSA-N 2 2 287.432 3.248 20 0 CGADLP Cc1[nH+]ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000335968070 136384704 /nfs/dbraw/zinc/38/47/04/136384704.db2.gz LCPXHISSRDTNGM-FZMZJTMJSA-N 2 2 290.798 3.327 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000591868340 346943673 /nfs/dbraw/zinc/94/36/73/346943673.db2.gz XGDVSFCWUQYVGJ-LLVKDONJSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000591868340 346943677 /nfs/dbraw/zinc/94/36/77/346943677.db2.gz XGDVSFCWUQYVGJ-LLVKDONJSA-N 2 2 281.812 3.435 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CSC[C@H]2C)[NH+](C)C)cc1 ZINC000449060016 529723648 /nfs/dbraw/zinc/72/36/48/529723648.db2.gz CCVCLMDLACISLL-XYPHTWIQSA-N 2 2 292.492 3.193 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856956 187266343 /nfs/dbraw/zinc/26/63/43/187266343.db2.gz WKSWRKUEAJPCDG-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000126856956 187266345 /nfs/dbraw/zinc/26/63/45/187266345.db2.gz WKSWRKUEAJPCDG-ONGXEEELSA-N 2 2 273.207 3.163 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505936 349823071 /nfs/dbraw/zinc/82/30/71/349823071.db2.gz XFIUKQJBMZSIRI-GFCCVEGCSA-N 2 2 296.842 3.311 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505936 349823076 /nfs/dbraw/zinc/82/30/76/349823076.db2.gz XFIUKQJBMZSIRI-GFCCVEGCSA-N 2 2 296.842 3.311 20 0 CGADLP CN(C)c1[nH+]cc(C[NH+]2CCC3(CCCCC3)CC2)n1C ZINC000425322057 529807717 /nfs/dbraw/zinc/80/77/17/529807717.db2.gz GNADDISUBHTNSG-UHFFFAOYSA-N 2 2 290.455 3.032 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128112511 187351712 /nfs/dbraw/zinc/35/17/12/187351712.db2.gz HSBFDSAPSKWKGZ-ZDUSSCGKSA-N 2 2 276.399 3.351 20 0 CGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000623872699 349901711 /nfs/dbraw/zinc/90/17/11/349901711.db2.gz MCRZTUJLAZQWFN-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000364017216 530051733 /nfs/dbraw/zinc/05/17/33/530051733.db2.gz ZTSFKRRVJABDOZ-UPTPFMHGSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000364017216 530051734 /nfs/dbraw/zinc/05/17/34/530051734.db2.gz ZTSFKRRVJABDOZ-UPTPFMHGSA-N 2 2 294.483 3.188 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318636 344949514 /nfs/dbraw/zinc/94/95/14/344949514.db2.gz UTAZKUHYKXWSEX-AWEZNQCLSA-N 2 2 288.435 3.281 20 0 CGADLP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063192021 345244333 /nfs/dbraw/zinc/24/43/33/345244333.db2.gz QITSSRIQAITOSZ-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063192021 345244336 /nfs/dbraw/zinc/24/43/36/345244336.db2.gz QITSSRIQAITOSZ-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP c1coc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065982012 345282676 /nfs/dbraw/zinc/28/26/76/345282676.db2.gz BINUFEPMNSEJIL-UHFFFAOYSA-N 2 2 276.424 3.414 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CC1(C)C ZINC000623957542 349927077 /nfs/dbraw/zinc/92/70/77/349927077.db2.gz MXGGAYXYEUWEOF-CQSZACIVSA-N 2 2 273.424 3.245 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CC1(C)C ZINC000623957542 349927079 /nfs/dbraw/zinc/92/70/79/349927079.db2.gz MXGGAYXYEUWEOF-CQSZACIVSA-N 2 2 273.424 3.245 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000070975931 345400214 /nfs/dbraw/zinc/40/02/14/345400214.db2.gz RWPAEXMRBZJUOG-KRWDZBQOSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000070975931 345400215 /nfs/dbraw/zinc/40/02/15/345400215.db2.gz RWPAEXMRBZJUOG-KRWDZBQOSA-N 2 2 260.425 3.082 20 0 CGADLP C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(C)(C)C[NH+](C)C ZINC000085688205 345747700 /nfs/dbraw/zinc/74/77/00/345747700.db2.gz USPNCQOGTDIATL-LBPRGKRZSA-N 2 2 278.444 3.162 20 0 CGADLP Fc1ccc2c(NCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000091424592 345812685 /nfs/dbraw/zinc/81/26/85/345812685.db2.gz WVHNDPKJDDBCQB-UHFFFAOYSA-N 2 2 270.311 3.073 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1 ZINC000090047306 345778863 /nfs/dbraw/zinc/77/88/63/345778863.db2.gz ATWIYQZHYFNFRU-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000090847183 345796291 /nfs/dbraw/zinc/79/62/91/345796291.db2.gz SFCAAQDZFAJZID-ZDUSSCGKSA-N 2 2 258.365 3.439 20 0 CGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090846965 345796520 /nfs/dbraw/zinc/79/65/20/345796520.db2.gz KMLLSWNETUFGLU-CQSZACIVSA-N 2 2 297.402 3.242 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000092072715 345830394 /nfs/dbraw/zinc/83/03/94/345830394.db2.gz HCQAYANEGCSREG-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000092072715 345830395 /nfs/dbraw/zinc/83/03/95/345830395.db2.gz HCQAYANEGCSREG-INIZCTEOSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072834 345830717 /nfs/dbraw/zinc/83/07/17/345830717.db2.gz VNZNFHVGRDUHDO-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072834 345830721 /nfs/dbraw/zinc/83/07/21/345830721.db2.gz VNZNFHVGRDUHDO-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000113552608 345960992 /nfs/dbraw/zinc/96/09/92/345960992.db2.gz ATOGRSAWXVNGCX-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000113552608 345960994 /nfs/dbraw/zinc/96/09/94/345960994.db2.gz ATOGRSAWXVNGCX-KRWDZBQOSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC[C@@H]1CCC[NH2+]C1 ZINC000110792882 345947222 /nfs/dbraw/zinc/94/72/22/345947222.db2.gz UDSXPOSTLLRLIK-AWEZNQCLSA-N 2 2 269.392 3.345 20 0 CGADLP C[C@H]1C[NH+](C(C)(C)CNc2cc[nH+]cc2Cl)C[C@H](C)O1 ZINC000175020797 232310129 /nfs/dbraw/zinc/31/01/29/232310129.db2.gz MRZPGEHGSCSQNW-RYUDHWBXSA-N 2 2 297.830 3.035 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042617 346046280 /nfs/dbraw/zinc/04/62/80/346046280.db2.gz UVGPZKGJXZODQJ-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042617 346046282 /nfs/dbraw/zinc/04/62/82/346046282.db2.gz UVGPZKGJXZODQJ-GXTWGEPZSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051724 346156634 /nfs/dbraw/zinc/15/66/34/346156634.db2.gz GWXNFVLLKXBQNR-CABZTGNLSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051724 346156637 /nfs/dbraw/zinc/15/66/37/346156637.db2.gz GWXNFVLLKXBQNR-CABZTGNLSA-N 2 2 290.304 3.156 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000187490205 346260887 /nfs/dbraw/zinc/26/08/87/346260887.db2.gz DWKMGCNNKBNEGW-MOPGFXCFSA-N 2 2 298.405 3.403 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H]1c1ccccc1 ZINC000187490205 346260891 /nfs/dbraw/zinc/26/08/91/346260891.db2.gz DWKMGCNNKBNEGW-MOPGFXCFSA-N 2 2 298.405 3.403 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000249630067 346382622 /nfs/dbraw/zinc/38/26/22/346382622.db2.gz UZTSHQKCSNWXLH-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000249630067 346382625 /nfs/dbraw/zinc/38/26/25/346382625.db2.gz UZTSHQKCSNWXLH-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000624077933 349965268 /nfs/dbraw/zinc/96/52/68/349965268.db2.gz HZZFMMYLZQPRLX-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000624077933 349965273 /nfs/dbraw/zinc/96/52/73/349965273.db2.gz HZZFMMYLZQPRLX-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc2ccncc2s1 ZINC000624101469 349970533 /nfs/dbraw/zinc/97/05/33/349970533.db2.gz HVPYMVHXLTXSNJ-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc2ccncc2s1 ZINC000624101469 349970537 /nfs/dbraw/zinc/97/05/37/349970537.db2.gz HVPYMVHXLTXSNJ-DGCLKSJQSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@@H](F)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000351752202 219195344 /nfs/dbraw/zinc/19/53/44/219195344.db2.gz OHFPXPZNWDRAGM-CHWSQXEVSA-N 2 2 261.344 3.271 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)n1C ZINC000584850757 346718958 /nfs/dbraw/zinc/71/89/58/346718958.db2.gz QQDVKYXBMBVNGF-HOCLYGCPSA-N 2 2 287.382 3.294 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594746931 347215807 /nfs/dbraw/zinc/21/58/07/347215807.db2.gz HHGUSYREXGMZLO-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000594746931 347215809 /nfs/dbraw/zinc/21/58/09/347215809.db2.gz HHGUSYREXGMZLO-QGZVFWFLSA-N 2 2 260.425 3.266 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000600191372 347791924 /nfs/dbraw/zinc/79/19/24/347791924.db2.gz AKSYFAIOZQCRJK-HNNXBMFYSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000600191372 347791926 /nfs/dbraw/zinc/79/19/26/347791926.db2.gz AKSYFAIOZQCRJK-HNNXBMFYSA-N 2 2 282.497 3.269 20 0 CGADLP CCc1cc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nc[nH+]1 ZINC000603390810 348078136 /nfs/dbraw/zinc/07/81/36/348078136.db2.gz OLWAXZVLKAPMPK-CQSZACIVSA-N 2 2 298.434 3.002 20 0 CGADLP Cc1sccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000339401175 215147220 /nfs/dbraw/zinc/14/72/20/215147220.db2.gz UEWQYOGUSWWALF-UHFFFAOYSA-N 2 2 284.388 3.308 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433674 215166636 /nfs/dbraw/zinc/16/66/36/215166636.db2.gz NPTWKYPSWUCVTF-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433674 215166637 /nfs/dbraw/zinc/16/66/37/215166637.db2.gz NPTWKYPSWUCVTF-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433674 215166640 /nfs/dbraw/zinc/16/66/40/215166640.db2.gz NPTWKYPSWUCVTF-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339433674 215166641 /nfs/dbraw/zinc/16/66/41/215166641.db2.gz NPTWKYPSWUCVTF-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)c2ccccc21 ZINC000335600937 212312010 /nfs/dbraw/zinc/31/20/10/212312010.db2.gz DMMRXDMUXIGIHG-DLBZAZTESA-N 2 2 264.372 3.410 20 0 CGADLP CSC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193004 348427602 /nfs/dbraw/zinc/42/76/02/348427602.db2.gz AMWYQBZKUKRQBA-ZBFHGGJFSA-N 2 2 292.492 3.381 20 0 CGADLP CSC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611193004 348427606 /nfs/dbraw/zinc/42/76/06/348427606.db2.gz AMWYQBZKUKRQBA-ZBFHGGJFSA-N 2 2 292.492 3.381 20 0 CGADLP COc1cccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000271213971 191004503 /nfs/dbraw/zinc/00/45/03/191004503.db2.gz DPQOBSPRMWBQBU-UHFFFAOYSA-N 2 2 293.370 3.122 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625435577 350170900 /nfs/dbraw/zinc/17/09/00/350170900.db2.gz HHRZVKBRZBOVAE-UHFFFAOYSA-N 2 2 293.823 3.214 20 0 CGADLP Clc1ccc(SCC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625435577 350170903 /nfs/dbraw/zinc/17/09/03/350170903.db2.gz HHRZVKBRZBOVAE-UHFFFAOYSA-N 2 2 293.823 3.214 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@@H+]1C ZINC000359680204 233356712 /nfs/dbraw/zinc/35/67/12/233356712.db2.gz ZAYQYNWEUZHNBD-KBXCAEBGSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@H+]1C ZINC000359680204 233356714 /nfs/dbraw/zinc/35/67/14/233356714.db2.gz ZAYQYNWEUZHNBD-KBXCAEBGSA-N 2 2 288.435 3.048 20 0 CGADLP Clc1sccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000359745092 233371205 /nfs/dbraw/zinc/37/12/05/233371205.db2.gz KBTKAULFOQEDJB-UHFFFAOYSA-N 2 2 291.807 3.382 20 0 CGADLP CC[N@H+](Cc1coc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063913 350254878 /nfs/dbraw/zinc/25/48/78/350254878.db2.gz VAYBXHZCFNCSBN-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP CC[N@@H+](Cc1coc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063913 350254882 /nfs/dbraw/zinc/25/48/82/350254882.db2.gz VAYBXHZCFNCSBN-UHFFFAOYSA-N 2 2 287.407 3.067 20 0 CGADLP C[C@@]1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCS1 ZINC000628209384 350440090 /nfs/dbraw/zinc/44/00/90/350440090.db2.gz BEJDFCHQZAAJRV-INIZCTEOSA-N 2 2 289.448 3.371 20 0 CGADLP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280592 350476887 /nfs/dbraw/zinc/47/68/87/350476887.db2.gz WUUSOIQFYYVKLM-RDJZCZTQSA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc([C@@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280592 350476889 /nfs/dbraw/zinc/47/68/89/350476889.db2.gz WUUSOIQFYYVKLM-RDJZCZTQSA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280590 350476942 /nfs/dbraw/zinc/47/69/42/350476942.db2.gz WUUSOIQFYYVKLM-DOTOQJQBSA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280590 350476945 /nfs/dbraw/zinc/47/69/45/350476945.db2.gz WUUSOIQFYYVKLM-DOTOQJQBSA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3c(O)cccc3C2)c[nH+]1 ZINC000628463481 350546302 /nfs/dbraw/zinc/54/63/02/350546302.db2.gz HVSLTGWRAYFWAP-UHFFFAOYSA-N 2 2 282.387 3.087 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000629537620 350705875 /nfs/dbraw/zinc/70/58/75/350705875.db2.gz LMSXBQVPLJQNEF-JFGNBEQYSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000629537618 350705931 /nfs/dbraw/zinc/70/59/31/350705931.db2.gz LMSXBQVPLJQNEF-FOGDFJRCSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1csc(Cl)c1 ZINC000629542655 350707331 /nfs/dbraw/zinc/70/73/31/350707331.db2.gz IJOUAYGUAVMNFR-FXPVBKGRSA-N 2 2 258.818 3.193 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C2CC2)ccc1F ZINC000629540690 350707399 /nfs/dbraw/zinc/70/73/99/350707399.db2.gz SGHCIWQQJLOHPT-YLQAJVPDSA-N 2 2 276.399 3.315 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C[NH2+]1 ZINC000629542758 350708220 /nfs/dbraw/zinc/70/82/20/350708220.db2.gz LCFMKQHGNPZGOF-UXIGCNINSA-N 2 2 294.826 3.284 20 0 CGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629544257 350709110 /nfs/dbraw/zinc/70/91/10/350709110.db2.gz IJOACZXWTKMCTB-XCRHUMRWSA-N 2 2 288.435 3.267 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000629390424 350687477 /nfs/dbraw/zinc/68/74/77/350687477.db2.gz FGDHKITVDSAOCJ-UONOGXRCSA-N 2 2 260.406 3.131 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)ccc2c1 ZINC000629394356 350687647 /nfs/dbraw/zinc/68/76/47/350687647.db2.gz HMYGJLOSJMBZLM-CXAGYDPISA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C[NH2+]1 ZINC000629396570 350688652 /nfs/dbraw/zinc/68/86/52/350688652.db2.gz MWXRKXNYGHUURS-GDBMZVCRSA-N 2 2 288.435 3.238 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629415430 350690715 /nfs/dbraw/zinc/69/07/15/350690715.db2.gz QHGWORPQTLIPRR-GDBMZVCRSA-N 2 2 276.424 3.096 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)o1 ZINC000629716048 350751971 /nfs/dbraw/zinc/75/19/71/350751971.db2.gz ICMUTVYBXLZPLQ-MRXNPFEDSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)o1 ZINC000629716048 350751975 /nfs/dbraw/zinc/75/19/75/350751975.db2.gz ICMUTVYBXLZPLQ-MRXNPFEDSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)c[nH+]c1N ZINC000629697257 350741222 /nfs/dbraw/zinc/74/12/22/350741222.db2.gz YGJRVLOUFINOEP-UHFFFAOYSA-N 2 2 281.403 3.455 20 0 CGADLP Cc1[nH]cc(-c2cc(C[NH+]3CCCC3)ccc2F)[nH+]1 ZINC000629702093 350743995 /nfs/dbraw/zinc/74/39/95/350743995.db2.gz FKWMMCTYQVERRF-UHFFFAOYSA-N 2 2 259.328 3.120 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCOC[C@@H]3C)cc2)c1C ZINC000291176882 197943760 /nfs/dbraw/zinc/94/37/60/197943760.db2.gz FEXZANJSYFUWPU-SJCJKPOMSA-N 2 2 285.391 3.326 20 0 CGADLP FC(F)(F)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000631065307 350940805 /nfs/dbraw/zinc/94/08/05/350940805.db2.gz QJEFDQOMQZNJFN-AWEZNQCLSA-N 2 2 298.352 3.118 20 0 CGADLP FC(F)(F)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000631065307 350940808 /nfs/dbraw/zinc/94/08/08/350940808.db2.gz QJEFDQOMQZNJFN-AWEZNQCLSA-N 2 2 298.352 3.118 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]CCc2cn(C)c[nH+]2)c(C)c1 ZINC000631156507 350972354 /nfs/dbraw/zinc/97/23/54/350972354.db2.gz PYFBBTYBAAWQEF-AATRIKPKSA-N 2 2 283.419 3.191 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173011 350978419 /nfs/dbraw/zinc/97/84/19/350978419.db2.gz NEWZQVSHKBDELZ-IAGOWNOFSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173011 350978423 /nfs/dbraw/zinc/97/84/23/350978423.db2.gz NEWZQVSHKBDELZ-IAGOWNOFSA-N 2 2 281.403 3.155 20 0 CGADLP CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000631666178 351110549 /nfs/dbraw/zinc/11/05/49/351110549.db2.gz COFVIBFLNRPQBP-GOEBONIOSA-N 2 2 287.407 3.074 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)ccn1 ZINC000631621885 351093458 /nfs/dbraw/zinc/09/34/58/351093458.db2.gz NGVDAIYLIHKUSP-HUUCEWRRSA-N 2 2 284.407 3.032 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccn1 ZINC000631631505 351097289 /nfs/dbraw/zinc/09/72/89/351097289.db2.gz WWROGZDWQAHSSJ-ZFWWWQNUSA-N 2 2 284.407 3.101 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccn1 ZINC000631631505 351097291 /nfs/dbraw/zinc/09/72/91/351097291.db2.gz WWROGZDWQAHSSJ-ZFWWWQNUSA-N 2 2 284.407 3.101 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886395 351151752 /nfs/dbraw/zinc/15/17/52/351151752.db2.gz JHLXKGNVIQTPMB-ZFWWWQNUSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886395 351151753 /nfs/dbraw/zinc/15/17/53/351151753.db2.gz JHLXKGNVIQTPMB-ZFWWWQNUSA-N 2 2 298.352 3.279 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890850 351152673 /nfs/dbraw/zinc/15/26/73/351152673.db2.gz SWVVUQVUUSCRGQ-FZMZJTMJSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890850 351152677 /nfs/dbraw/zinc/15/26/77/351152677.db2.gz SWVVUQVUUSCRGQ-FZMZJTMJSA-N 2 2 282.790 3.053 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634953234 351609006 /nfs/dbraw/zinc/60/90/06/351609006.db2.gz VPNUUDBNBPCPAJ-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)C1 ZINC000634953234 351609007 /nfs/dbraw/zinc/60/90/07/351609007.db2.gz VPNUUDBNBPCPAJ-HNNXBMFYSA-N 2 2 299.418 3.196 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)c2ccccc21 ZINC000635009269 351626919 /nfs/dbraw/zinc/62/69/19/351626919.db2.gz MTAJNUYKVKEMRO-HUUCEWRRSA-N 2 2 274.314 3.199 20 0 CGADLP Cc1nc(C)c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000271444044 191140672 /nfs/dbraw/zinc/14/06/72/191140672.db2.gz CNMZKILATOJLLC-NSHDSACASA-N 2 2 275.421 3.357 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(CSC(F)F)o1)C[NH+](C)C ZINC000291695445 198061257 /nfs/dbraw/zinc/06/12/57/198061257.db2.gz JQKUZNOIBPMAKO-JTQLQIEISA-N 2 2 292.395 3.023 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000122290947 187025105 /nfs/dbraw/zinc/02/51/05/187025105.db2.gz XMGVFTAFBDBWQL-XSCHDIRWSA-N 2 2 250.430 3.170 20 0 CGADLP CCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000122290947 187025106 /nfs/dbraw/zinc/02/51/06/187025106.db2.gz XMGVFTAFBDBWQL-XSCHDIRWSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC000123171337 187075994 /nfs/dbraw/zinc/07/59/94/187075994.db2.gz AJRBQIMUJGXPCD-LEJBJHNTSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC000123171337 187075995 /nfs/dbraw/zinc/07/59/95/187075995.db2.gz AJRBQIMUJGXPCD-LEJBJHNTSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171337 187075996 /nfs/dbraw/zinc/07/59/96/187075996.db2.gz AJRBQIMUJGXPCD-LEJBJHNTSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171337 187075997 /nfs/dbraw/zinc/07/59/97/187075997.db2.gz AJRBQIMUJGXPCD-LEJBJHNTSA-N 2 2 258.409 3.114 20 0 CGADLP c1c(CC[NH2+]C2CCC3(CC3)CC2)[nH+]c2ccccn12 ZINC000362923475 233946047 /nfs/dbraw/zinc/94/60/47/233946047.db2.gz SCKWEQONNKZQRV-UHFFFAOYSA-N 2 2 269.392 3.189 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ncc[nH]1 ZINC000367524569 234222209 /nfs/dbraw/zinc/22/22/09/234222209.db2.gz CBBDCQCSXCQLSG-ZOBUZTSGSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ncc[nH]1 ZINC000367524569 234222213 /nfs/dbraw/zinc/22/22/13/234222213.db2.gz CBBDCQCSXCQLSG-ZOBUZTSGSA-N 2 2 298.434 3.113 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154625624 188154479 /nfs/dbraw/zinc/15/44/79/188154479.db2.gz VJXNARQQQOVKMW-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154625624 188154480 /nfs/dbraw/zinc/15/44/80/188154480.db2.gz VJXNARQQQOVKMW-YPMHNXCESA-N 2 2 282.815 3.093 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654523 188156118 /nfs/dbraw/zinc/15/61/18/188156118.db2.gz JZGPUKPWEYOPOK-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654523 188156120 /nfs/dbraw/zinc/15/61/20/188156120.db2.gz JZGPUKPWEYOPOK-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000155740266 188225359 /nfs/dbraw/zinc/22/53/59/188225359.db2.gz GVHCNTAEEKCALG-JTQLQIEISA-N 2 2 269.801 3.339 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000156715575 188278275 /nfs/dbraw/zinc/27/82/75/188278275.db2.gz RDLWQVNJSHVHBP-AWEZNQCLSA-N 2 2 287.407 3.411 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000157427082 188317384 /nfs/dbraw/zinc/31/73/84/188317384.db2.gz MAYMPMORSGPRHI-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000157427082 188317386 /nfs/dbraw/zinc/31/73/86/188317386.db2.gz MAYMPMORSGPRHI-GXFFZTMASA-N 2 2 270.779 3.051 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222019763 283020451 /nfs/dbraw/zinc/02/04/51/283020451.db2.gz HJMUHPKPKPOOQH-BBWFWOEESA-N 2 2 274.383 3.029 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222019763 283020454 /nfs/dbraw/zinc/02/04/54/283020454.db2.gz HJMUHPKPKPOOQH-BBWFWOEESA-N 2 2 274.383 3.029 20 0 CGADLP COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414193510 235359924 /nfs/dbraw/zinc/35/99/24/235359924.db2.gz IERYAOXOIZVOJI-CABCVRRESA-N 2 2 287.407 3.196 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH2+]1 ZINC000414948196 235499502 /nfs/dbraw/zinc/49/95/02/235499502.db2.gz LTJHLJIAHOZXGT-DYVFJYSZSA-N 2 2 299.393 3.118 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000418114846 235650378 /nfs/dbraw/zinc/65/03/78/235650378.db2.gz NBAIWLGDVWYNBJ-UHFFFAOYSA-N 2 2 288.435 3.102 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000423234143 236004248 /nfs/dbraw/zinc/00/42/48/236004248.db2.gz LBEPLSFXQDBNPT-GUYCJALGSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(-c2ccncc2)cc1 ZINC000423245797 236007693 /nfs/dbraw/zinc/00/76/93/236007693.db2.gz YRZOHIOOVFPOTO-KBXCAEBGSA-N 2 2 281.403 3.151 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000423321186 236038437 /nfs/dbraw/zinc/03/84/37/236038437.db2.gz MZBNZJRACWAJCH-MRXNPFEDSA-N 2 2 298.430 3.240 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423326161 236038735 /nfs/dbraw/zinc/03/87/35/236038735.db2.gz QPUIKTAODVEMAF-RTBURBONSA-N 2 2 280.415 3.411 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000423331605 236041109 /nfs/dbraw/zinc/04/11/09/236041109.db2.gz MQVDAQYTFGARHO-GOSISDBHSA-N 2 2 290.451 3.013 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423361239 236050868 /nfs/dbraw/zinc/05/08/68/236050868.db2.gz MIXRFMQLHOYNJY-DDTOSNHZSA-N 2 2 296.867 3.465 20 0 CGADLP Cc1c[nH+]ccc1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000192598166 138479389 /nfs/dbraw/zinc/47/93/89/138479389.db2.gz YQAVPOGMNTZABP-HNNXBMFYSA-N 2 2 291.345 3.383 20 0 CGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000423410932 236067439 /nfs/dbraw/zinc/06/74/39/236067439.db2.gz ASWLIOYEYSRFPL-BEFAXECRSA-N 2 2 298.430 3.259 20 0 CGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)CCC[NH2+]1 ZINC000423422450 236068552 /nfs/dbraw/zinc/06/85/52/236068552.db2.gz KOXPVYOXWZOGNZ-WMZOPIPTSA-N 2 2 290.451 3.031 20 0 CGADLP Cc1cc(NC(=O)CC[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423913455 236111913 /nfs/dbraw/zinc/11/19/13/236111913.db2.gz UYZXHLLUIIIRAA-CYBMUJFWSA-N 2 2 299.374 3.248 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000424263753 236137845 /nfs/dbraw/zinc/13/78/45/236137845.db2.gz GFFRLUAWPSJVEX-NWDGAFQWSA-N 2 2 284.831 3.339 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000425339698 236232622 /nfs/dbraw/zinc/23/26/22/236232622.db2.gz TYDHXZAGMWOCOD-CQSZACIVSA-N 2 2 294.389 3.191 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000425339698 236232624 /nfs/dbraw/zinc/23/26/24/236232624.db2.gz TYDHXZAGMWOCOD-CQSZACIVSA-N 2 2 294.389 3.191 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)C[N@H+](Cc2ccccc2)C1 ZINC000425354563 236235252 /nfs/dbraw/zinc/23/52/52/236235252.db2.gz NCKLEOFNOMMYQR-OIISXLGYSA-N 2 2 270.420 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)C[N@@H+](Cc2ccccc2)C1 ZINC000425354563 236235254 /nfs/dbraw/zinc/23/52/54/236235254.db2.gz NCKLEOFNOMMYQR-OIISXLGYSA-N 2 2 270.420 3.039 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313266769 535384189 /nfs/dbraw/zinc/38/41/89/535384189.db2.gz JMCVPTAKBIPDMB-UHFFFAOYSA-N 2 2 251.418 3.013 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1F ZINC000294823470 199199544 /nfs/dbraw/zinc/19/95/44/199199544.db2.gz MYSOHHNUFPYASI-CZUORRHYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1F ZINC000294823470 199199545 /nfs/dbraw/zinc/19/95/45/199199545.db2.gz MYSOHHNUFPYASI-CZUORRHYSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000294869444 199222800 /nfs/dbraw/zinc/22/28/00/199222800.db2.gz QBXGNLORTWTMIU-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000437008897 237231535 /nfs/dbraw/zinc/23/15/35/237231535.db2.gz XKDUFBIESVYHLK-SCTDSRPQSA-N 2 2 295.430 3.298 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCCCCOc2ccccc2)CCC[N@@H+]1C ZINC000437773350 237342822 /nfs/dbraw/zinc/34/28/22/237342822.db2.gz JDQJERYHSLXMRM-AEFFLSMTSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCCCCOc2ccccc2)CCC[N@H+]1C ZINC000437773350 237342834 /nfs/dbraw/zinc/34/28/34/237342834.db2.gz JDQJERYHSLXMRM-AEFFLSMTSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)c1ccc(C[N@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000297739365 200272793 /nfs/dbraw/zinc/27/27/93/200272793.db2.gz KKSUYXPFJKSMJG-UHFFFAOYSA-N 2 2 271.408 3.218 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000297739365 200272794 /nfs/dbraw/zinc/27/27/94/200272794.db2.gz KKSUYXPFJKSMJG-UHFFFAOYSA-N 2 2 271.408 3.218 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137922 189172529 /nfs/dbraw/zinc/17/25/29/189172529.db2.gz SJWHTBRJFHFFLV-GMXVVIOVSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179137922 189172530 /nfs/dbraw/zinc/17/25/30/189172530.db2.gz SJWHTBRJFHFFLV-GMXVVIOVSA-N 2 2 279.815 3.011 20 0 CGADLP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179598425 189206420 /nfs/dbraw/zinc/20/64/20/189206420.db2.gz CRBAXWVQYNIZKG-INIZCTEOSA-N 2 2 280.375 3.010 20 0 CGADLP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179598425 189206421 /nfs/dbraw/zinc/20/64/21/189206421.db2.gz CRBAXWVQYNIZKG-INIZCTEOSA-N 2 2 280.375 3.010 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)c2ccccc21 ZINC000252787271 283607993 /nfs/dbraw/zinc/60/79/93/283607993.db2.gz QHBHVZWQHYEDKX-PMPSAXMXSA-N 2 2 268.360 3.391 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077380 189287735 /nfs/dbraw/zinc/28/77/35/189287735.db2.gz WLWJVLNOIINGGK-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077380 189287736 /nfs/dbraw/zinc/28/77/36/189287736.db2.gz WLWJVLNOIINGGK-GFCCVEGCSA-N 2 2 279.334 3.244 20 0 CGADLP Fc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)c(F)c1 ZINC000181249758 189292067 /nfs/dbraw/zinc/29/20/67/189292067.db2.gz VYSOPRPPZMOMFJ-UHFFFAOYSA-N 2 2 291.345 3.220 20 0 CGADLP COC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000443213889 238515972 /nfs/dbraw/zinc/51/59/72/238515972.db2.gz JCXNDOYINYFRDH-JLSDUUJJSA-N 2 2 290.451 3.001 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221342 189350652 /nfs/dbraw/zinc/35/06/52/189350652.db2.gz OIXZJRVKWZBNHW-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221342 189350653 /nfs/dbraw/zinc/35/06/53/189350653.db2.gz OIXZJRVKWZBNHW-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C/C=C/c1ccncc1 ZINC000342420285 216346501 /nfs/dbraw/zinc/34/65/01/216346501.db2.gz KJRFXENPAPDVCD-NADMHLTPSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C/C=C/c1ccncc1 ZINC000342420285 216346503 /nfs/dbraw/zinc/34/65/03/216346503.db2.gz KJRFXENPAPDVCD-NADMHLTPSA-N 2 2 295.430 3.205 20 0 CGADLP CC(C)c1nc(NCC[C@H](C)[NH+]2CCCCC2)cc[nH+]1 ZINC000302120604 201350609 /nfs/dbraw/zinc/35/06/09/201350609.db2.gz DIVGNZRGWJGVRI-AWEZNQCLSA-N 2 2 276.428 3.276 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183192 239230158 /nfs/dbraw/zinc/23/01/58/239230158.db2.gz DZYJWYGMQIRVLY-HSMVNMDESA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183192 239230164 /nfs/dbraw/zinc/23/01/64/239230164.db2.gz DZYJWYGMQIRVLY-HSMVNMDESA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449246646 239268091 /nfs/dbraw/zinc/26/80/91/239268091.db2.gz DNXZRCGDOGJIIL-JKSUJKDBSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449246646 239268094 /nfs/dbraw/zinc/26/80/94/239268094.db2.gz DNXZRCGDOGJIIL-JKSUJKDBSA-N 2 2 286.419 3.321 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]CC[NH+]1CCCC1 ZINC000449218315 239250866 /nfs/dbraw/zinc/25/08/66/239250866.db2.gz HETSLXHTGNGNQX-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3ccoc32)CCC[N@@H+]1C ZINC000449236689 239261399 /nfs/dbraw/zinc/26/13/99/239261399.db2.gz YWQRJPSQUUPIOZ-IUODEOHRSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3ccoc32)CCC[N@H+]1C ZINC000449236689 239261403 /nfs/dbraw/zinc/26/14/03/239261403.db2.gz YWQRJPSQUUPIOZ-IUODEOHRSA-N 2 2 258.365 3.005 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000453586387 240964458 /nfs/dbraw/zinc/96/44/58/240964458.db2.gz UMHPSBFBFLQGEM-INIZCTEOSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1ccc[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000121263935 370846961 /nfs/dbraw/zinc/84/69/61/370846961.db2.gz VUDIKBRFBXMAIR-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000459458169 242115242 /nfs/dbraw/zinc/11/52/42/242115242.db2.gz GNSWBURZFTYZKZ-LJQANCHMSA-N 2 2 297.446 3.406 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000459458169 242115245 /nfs/dbraw/zinc/11/52/45/242115245.db2.gz GNSWBURZFTYZKZ-LJQANCHMSA-N 2 2 297.446 3.406 20 0 CGADLP CCOC[C@H]1CCCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000459670194 242171246 /nfs/dbraw/zinc/17/12/46/242171246.db2.gz FGYSDIUHJGATNZ-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CCOC[C@H]1CCCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000459670194 242171249 /nfs/dbraw/zinc/17/12/49/242171249.db2.gz FGYSDIUHJGATNZ-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000420924040 291395472 /nfs/dbraw/zinc/39/54/72/291395472.db2.gz JENWLHUAASLXNO-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000420924040 291395475 /nfs/dbraw/zinc/39/54/75/291395475.db2.gz JENWLHUAASLXNO-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000462677754 242357868 /nfs/dbraw/zinc/35/78/68/242357868.db2.gz FSAMAXRTJSYJAV-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462677754 242357871 /nfs/dbraw/zinc/35/78/71/242357871.db2.gz FSAMAXRTJSYJAV-FHERZECASA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000462725218 242359340 /nfs/dbraw/zinc/35/93/40/242359340.db2.gz ARVIKKVXSRZQFR-CRAIPNDOSA-N 2 2 286.463 3.254 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498297 212178234 /nfs/dbraw/zinc/17/82/34/212178234.db2.gz IUNWBWOFKUQLIG-DGCLKSJQSA-N 2 2 275.421 3.089 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1)C(C)C ZINC000480529888 243151193 /nfs/dbraw/zinc/15/11/93/243151193.db2.gz RWFRWPOIEPQKAT-SJORKVTESA-N 2 2 284.488 3.148 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480634170 243157479 /nfs/dbraw/zinc/15/74/79/243157479.db2.gz ZULBTOIGENZDKY-RVKKMQEKSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480634170 243157483 /nfs/dbraw/zinc/15/74/83/243157483.db2.gz ZULBTOIGENZDKY-RVKKMQEKSA-N 2 2 272.436 3.241 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163308 243217760 /nfs/dbraw/zinc/21/77/60/243217760.db2.gz KJONLCXYXQGBKG-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163308 243217764 /nfs/dbraw/zinc/21/77/64/243217764.db2.gz KJONLCXYXQGBKG-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163308 243217768 /nfs/dbraw/zinc/21/77/68/243217768.db2.gz KJONLCXYXQGBKG-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2c(C)c1 ZINC000482163308 243217774 /nfs/dbraw/zinc/21/77/74/243217774.db2.gz KJONLCXYXQGBKG-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP C[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000482715129 243239958 /nfs/dbraw/zinc/23/99/58/243239958.db2.gz QUMBQPMNGRVJDO-OAHLLOKOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000482715129 243239964 /nfs/dbraw/zinc/23/99/64/243239964.db2.gz QUMBQPMNGRVJDO-OAHLLOKOSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000482507827 243229574 /nfs/dbraw/zinc/22/95/74/243229574.db2.gz IMGGEHDNUBIICK-WBVHZDCISA-N 2 2 262.441 3.184 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019959962 368790217 /nfs/dbraw/zinc/79/02/17/368790217.db2.gz UCZZQJWRPBYRJA-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019959962 368790225 /nfs/dbraw/zinc/79/02/25/368790225.db2.gz UCZZQJWRPBYRJA-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996846 369048305 /nfs/dbraw/zinc/04/83/05/369048305.db2.gz LPIUWFRFLIXYKC-USXIJHARSA-N 2 2 288.435 3.281 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996846 369048310 /nfs/dbraw/zinc/04/83/10/369048310.db2.gz LPIUWFRFLIXYKC-USXIJHARSA-N 2 2 288.435 3.281 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036843325 369032952 /nfs/dbraw/zinc/03/29/52/369032952.db2.gz RFCONCZPVDOHTC-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000037158161 369072145 /nfs/dbraw/zinc/07/21/45/369072145.db2.gz MDJTYMYXUNLGIW-RYUDHWBXSA-N 2 2 295.333 3.224 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064039 369170723 /nfs/dbraw/zinc/17/07/23/369170723.db2.gz XIOIDTIVLFJJCW-CQSZACIVSA-N 2 2 257.381 3.357 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685058 369265525 /nfs/dbraw/zinc/26/55/25/369265525.db2.gz YVYVBBAVHZKFGK-HOCLYGCPSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685058 369265527 /nfs/dbraw/zinc/26/55/27/369265527.db2.gz YVYVBBAVHZKFGK-HOCLYGCPSA-N 2 2 258.409 3.191 20 0 CGADLP CCCC1CCC(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494438793 244290438 /nfs/dbraw/zinc/29/04/38/244290438.db2.gz RXCHKIXTZAAKPF-UYSNPLJNSA-N 2 2 275.440 3.394 20 0 CGADLP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1OC ZINC000045663962 369283769 /nfs/dbraw/zinc/28/37/69/369283769.db2.gz XWJWXJRJBZNRAP-HNNXBMFYSA-N 2 2 264.413 3.078 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@H]1C ZINC000494890410 244328552 /nfs/dbraw/zinc/32/85/52/244328552.db2.gz FIKBSVYWPAQWDE-IPYPFGDCSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]1C ZINC000494923950 244331205 /nfs/dbraw/zinc/33/12/05/244331205.db2.gz RPOXGGDPOXOGAX-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP CC[C@@H](C[NH2+]CC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000047848578 369328535 /nfs/dbraw/zinc/32/85/35/369328535.db2.gz DHHWWSNKVCHDFP-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP CC[C@@H](C[NH2+]CC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000047848578 369328538 /nfs/dbraw/zinc/32/85/38/369328538.db2.gz DHHWWSNKVCHDFP-KRWDZBQOSA-N 2 2 260.425 3.069 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448172 369483257 /nfs/dbraw/zinc/48/32/57/369483257.db2.gz BSVWMYOSKCHNHU-CABCVRRESA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448172 369483258 /nfs/dbraw/zinc/48/32/58/369483258.db2.gz BSVWMYOSKCHNHU-CABCVRRESA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448174 369483735 /nfs/dbraw/zinc/48/37/35/369483735.db2.gz BSVWMYOSKCHNHU-GJZGRUSLSA-N 2 2 260.425 3.211 20 0 CGADLP CCC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448174 369483740 /nfs/dbraw/zinc/48/37/40/369483740.db2.gz BSVWMYOSKCHNHU-GJZGRUSLSA-N 2 2 260.425 3.211 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054111201 369495272 /nfs/dbraw/zinc/49/52/72/369495272.db2.gz LZYIVNBAJQXBIM-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054111201 369495283 /nfs/dbraw/zinc/49/52/83/369495283.db2.gz LZYIVNBAJQXBIM-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059180860 369578947 /nfs/dbraw/zinc/57/89/47/369578947.db2.gz XGPWAJBRCPLDJE-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCCc3sccc32)c[nH+]1 ZINC000061325548 369598637 /nfs/dbraw/zinc/59/86/37/369598637.db2.gz FGBFOMVETCFPBQ-ZDUSSCGKSA-N 2 2 261.394 3.002 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCO1 ZINC000061823394 369608428 /nfs/dbraw/zinc/60/84/28/369608428.db2.gz NPDMJZOXLYMBRD-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000062072409 369616795 /nfs/dbraw/zinc/61/67/95/369616795.db2.gz LEYJLHAUJOBXCQ-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062705989 369629148 /nfs/dbraw/zinc/62/91/48/369629148.db2.gz DWUSBPJQFMTGLK-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP CC1(C)C(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000092815270 370103178 /nfs/dbraw/zinc/10/31/78/370103178.db2.gz YLOIJWRRHZMGQB-UHFFFAOYSA-N 2 2 287.451 3.322 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC)o2)C1 ZINC000093742177 370155925 /nfs/dbraw/zinc/15/59/25/370155925.db2.gz OEDNZIPUCCMHOT-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CC)o2)C1 ZINC000093742177 370155935 /nfs/dbraw/zinc/15/59/35/370155935.db2.gz OEDNZIPUCCMHOT-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC)o2)C1 ZINC000093742177 370155943 /nfs/dbraw/zinc/15/59/43/370155943.db2.gz OEDNZIPUCCMHOT-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CC)o2)C1 ZINC000093742177 370155949 /nfs/dbraw/zinc/15/59/49/370155949.db2.gz OEDNZIPUCCMHOT-AWEZNQCLSA-N 2 2 264.413 3.006 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC000097929398 370258806 /nfs/dbraw/zinc/25/88/06/370258806.db2.gz KUCGRKMKEUFRDT-UONOGXRCSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)c1nc(NC[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000110112065 370369173 /nfs/dbraw/zinc/36/91/73/370369173.db2.gz AFVVFMJWYWSEAZ-HNNXBMFYSA-N 2 2 284.407 3.315 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000112547662 370433447 /nfs/dbraw/zinc/43/34/47/370433447.db2.gz JLIGHJZJQYFUNS-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000112547662 370433452 /nfs/dbraw/zinc/43/34/52/370433452.db2.gz JLIGHJZJQYFUNS-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000112547662 370433456 /nfs/dbraw/zinc/43/34/56/370433456.db2.gz JLIGHJZJQYFUNS-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112547662 370433462 /nfs/dbraw/zinc/43/34/62/370433462.db2.gz JLIGHJZJQYFUNS-CYBMUJFWSA-N 2 2 266.816 3.114 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C[N@@H+]1C1CC1 ZINC000131236721 371092483 /nfs/dbraw/zinc/09/24/83/371092483.db2.gz XBQZUFYPVARFIM-STQMWFEESA-N 2 2 278.465 3.241 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccs2)C[N@H+]1C1CC1 ZINC000131236721 371092487 /nfs/dbraw/zinc/09/24/87/371092487.db2.gz XBQZUFYPVARFIM-STQMWFEESA-N 2 2 278.465 3.241 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000131836910 371133709 /nfs/dbraw/zinc/13/37/09/371133709.db2.gz VKMTZHMOGQWNTA-HNNXBMFYSA-N 2 2 257.381 3.260 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545972 371114826 /nfs/dbraw/zinc/11/48/26/371114826.db2.gz UDCOHMWWSUBPKI-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000131545972 371114827 /nfs/dbraw/zinc/11/48/27/371114827.db2.gz UDCOHMWWSUBPKI-QWRGUYRKSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564112 371116600 /nfs/dbraw/zinc/11/66/00/371116600.db2.gz KQIPRJWFUGQKQZ-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000131564112 371116606 /nfs/dbraw/zinc/11/66/06/371116606.db2.gz KQIPRJWFUGQKQZ-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP CCc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000132348869 371168117 /nfs/dbraw/zinc/16/81/17/371168117.db2.gz LXGKJEDQQZUOIZ-UHFFFAOYSA-N 2 2 273.380 3.219 20 0 CGADLP CC[C@H]1C[C@@]1([NH2+]Cc1c[nH+]c[nH]1)c1cccc(C)c1 ZINC000337301459 376203602 /nfs/dbraw/zinc/20/36/02/376203602.db2.gz PTMNJPHCESSHDU-BBRMVZONSA-N 2 2 255.365 3.133 20 0 CGADLP Clc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150770283 371538143 /nfs/dbraw/zinc/53/81/43/371538143.db2.gz LDMSXPFMCIOBRY-CQSZACIVSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150770283 371538146 /nfs/dbraw/zinc/53/81/46/371538146.db2.gz LDMSXPFMCIOBRY-CQSZACIVSA-N 2 2 278.827 3.258 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151505032 371607516 /nfs/dbraw/zinc/60/75/16/371607516.db2.gz MCEJGTHNECAFFO-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2cccc(C3CC3)c2)cc1 ZINC000422550700 371748081 /nfs/dbraw/zinc/74/80/81/371748081.db2.gz BUNZNBFLIVKTLY-VQTJNVASSA-N 2 2 292.426 3.409 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2c1C ZINC000422721177 371768593 /nfs/dbraw/zinc/76/85/93/371768593.db2.gz NKXKLKIMIXVFCX-CZUORRHYSA-N 2 2 271.408 3.015 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000422742125 371780068 /nfs/dbraw/zinc/78/00/68/371780068.db2.gz PKKSYGCVXLLDDO-YOEHRIQHSA-N 2 2 285.435 3.323 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)Cn1cc[nH+]c1 ZINC000337329794 214010766 /nfs/dbraw/zinc/01/07/66/214010766.db2.gz FXPMNYINKUYZMQ-SOLBZPMBSA-N 2 2 298.434 3.230 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422788539 371808382 /nfs/dbraw/zinc/80/83/82/371808382.db2.gz VNHUHIULZJHJCY-IRXDYDNUSA-N 2 2 282.387 3.448 20 0 CGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422806549 371821247 /nfs/dbraw/zinc/82/12/47/371821247.db2.gz NOLCLWWPDNSTGN-SJKOYZFVSA-N 2 2 290.357 3.013 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869879 371846506 /nfs/dbraw/zinc/84/65/06/371846506.db2.gz AWYYRLYVEGXVDF-IIDMSEBBSA-N 2 2 287.451 3.078 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422879903 371851424 /nfs/dbraw/zinc/85/14/24/371851424.db2.gz WBUDVPDHMGIACC-ZFWWWQNUSA-N 2 2 278.465 3.337 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000154549054 371855216 /nfs/dbraw/zinc/85/52/16/371855216.db2.gz VOJRJFGZRSCDQA-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000154549054 371855223 /nfs/dbraw/zinc/85/52/23/371855223.db2.gz VOJRJFGZRSCDQA-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889873 371855319 /nfs/dbraw/zinc/85/53/19/371855319.db2.gz HCTDMYQPVQXUCQ-KEYYUXOJSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000289957458 371860601 /nfs/dbraw/zinc/86/06/01/371860601.db2.gz IIMWRRIHIMWBSZ-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000289957458 371860612 /nfs/dbraw/zinc/86/06/12/371860612.db2.gz IIMWRRIHIMWBSZ-KRWDZBQOSA-N 2 2 269.392 3.108 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621647 371863506 /nfs/dbraw/zinc/86/35/06/371863506.db2.gz LZBZKXLXJXPNDP-HIFRSBDPSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621647 371863510 /nfs/dbraw/zinc/86/35/10/371863510.db2.gz LZBZKXLXJXPNDP-HIFRSBDPSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000422909214 371863926 /nfs/dbraw/zinc/86/39/26/371863926.db2.gz FIVAKQOOXTUFSE-DDTOSNHZSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1c[nH+]ccc1N ZINC000422912934 371865055 /nfs/dbraw/zinc/86/50/55/371865055.db2.gz OHUGZTAABGHDCL-CYBMUJFWSA-N 2 2 297.402 3.276 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000423053296 371937654 /nfs/dbraw/zinc/93/76/54/371937654.db2.gz AIJGILXUDBEUIG-IXDOHACOSA-N 2 2 298.361 3.384 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290090251 371901804 /nfs/dbraw/zinc/90/18/04/371901804.db2.gz REKVDISICKXDPY-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290090251 371901810 /nfs/dbraw/zinc/90/18/10/371901810.db2.gz REKVDISICKXDPY-GFCCVEGCSA-N 2 2 277.799 3.309 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142552 371915126 /nfs/dbraw/zinc/91/51/26/371915126.db2.gz CFFFHQMSDRESLF-MAZHCROVSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290142552 371915132 /nfs/dbraw/zinc/91/51/32/371915132.db2.gz CFFFHQMSDRESLF-MAZHCROVSA-N 2 2 296.842 3.100 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000290184993 371927813 /nfs/dbraw/zinc/92/78/13/371927813.db2.gz ZMNYKAAIBMBNFI-KGLIPLIRSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000290396936 371979970 /nfs/dbraw/zinc/97/99/70/371979970.db2.gz OZHTUZFIRPDGHU-LJQANCHMSA-N 2 2 298.430 3.078 20 0 CGADLP CCCc1ncc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000423169586 372000412 /nfs/dbraw/zinc/00/04/12/372000412.db2.gz ZJNPXLOFNTZYRY-ZIAGYGMSSA-N 2 2 279.428 3.028 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083639 371952783 /nfs/dbraw/zinc/95/27/83/371952783.db2.gz ZDQIWBZFTPBTSG-GUYCJALGSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423086112 371954177 /nfs/dbraw/zinc/95/41/77/371954177.db2.gz MKKYKTMYIYETNH-IKGGRYGDSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423201326 372024863 /nfs/dbraw/zinc/02/48/63/372024863.db2.gz IEDJYQUFRLQISX-UFBFGSQYSA-N 2 2 259.180 3.006 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000423214790 372033799 /nfs/dbraw/zinc/03/37/99/372033799.db2.gz NCMYXJBERSASMG-YPMHNXCESA-N 2 2 282.815 3.140 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423391499 372058917 /nfs/dbraw/zinc/05/89/17/372058917.db2.gz WWIVGYSREZPEJJ-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000344184460 217088343 /nfs/dbraw/zinc/08/83/43/217088343.db2.gz ATPUXXCZACPFNH-SJCJKPOMSA-N 2 2 285.435 3.133 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000344184460 217088347 /nfs/dbraw/zinc/08/83/47/217088347.db2.gz ATPUXXCZACPFNH-SJCJKPOMSA-N 2 2 285.435 3.133 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423180534 372008539 /nfs/dbraw/zinc/00/85/39/372008539.db2.gz FDGZZTJKTJFUGR-WCQYABFASA-N 2 2 282.815 3.141 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423180532 372009523 /nfs/dbraw/zinc/00/95/23/372009523.db2.gz FDGZZTJKTJFUGR-AAEUAGOBSA-N 2 2 282.815 3.141 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423185447 372013230 /nfs/dbraw/zinc/01/32/30/372013230.db2.gz JKYNXISJTXFKIL-CXAGYDPISA-N 2 2 284.403 3.251 20 0 CGADLP c1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423188624 372014427 /nfs/dbraw/zinc/01/44/27/372014427.db2.gz LUSJHLFSHRECGR-SJORKVTESA-N 2 2 258.409 3.260 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccsc2S1 ZINC000423561062 372072522 /nfs/dbraw/zinc/07/25/22/372072522.db2.gz POWXQFGWOJEFCW-GVXVVHGQSA-N 2 2 282.478 3.405 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960234 372148252 /nfs/dbraw/zinc/14/82/52/372148252.db2.gz NYKCTNXIPQJUGP-BBRMVZONSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(Cc2ccc(Cl)cc2)CCC1 ZINC000425960234 372148260 /nfs/dbraw/zinc/14/82/60/372148260.db2.gz NYKCTNXIPQJUGP-BBRMVZONSA-N 2 2 292.854 3.345 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427872095 372177702 /nfs/dbraw/zinc/17/77/02/372177702.db2.gz WVMXXKCEYIDWID-GDBMZVCRSA-N 2 2 297.402 3.010 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000040671982 541867866 /nfs/dbraw/zinc/86/78/66/541867866.db2.gz WSFVZLCIDPUPTH-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000040671982 541867869 /nfs/dbraw/zinc/86/78/69/541867869.db2.gz WSFVZLCIDPUPTH-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)[C@@H]3CCOC3)cc2)c1C ZINC000291175746 372131718 /nfs/dbraw/zinc/13/17/18/372131718.db2.gz FDZSTOAHPRNWIX-UKRRQHHQSA-N 2 2 285.391 3.326 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000040672560 541869659 /nfs/dbraw/zinc/86/96/59/541869659.db2.gz GMQZNTRPUPKCMQ-WCQYABFASA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000040672560 541869665 /nfs/dbraw/zinc/86/96/65/541869665.db2.gz GMQZNTRPUPKCMQ-WCQYABFASA-N 2 2 252.427 3.110 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3sccc3Cl)C2)C1 ZINC000293054593 372289815 /nfs/dbraw/zinc/28/98/15/372289815.db2.gz UFLVZVOTHXZPKK-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3sccc3Cl)C2)C1 ZINC000293054593 372289819 /nfs/dbraw/zinc/28/98/19/372289819.db2.gz UFLVZVOTHXZPKK-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3sccc3Cl)C2)C1 ZINC000293054593 372289823 /nfs/dbraw/zinc/28/98/23/372289823.db2.gz UFLVZVOTHXZPKK-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3sccc3Cl)C2)C1 ZINC000293054593 372289827 /nfs/dbraw/zinc/28/98/27/372289827.db2.gz UFLVZVOTHXZPKK-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428877228 372276552 /nfs/dbraw/zinc/27/65/52/372276552.db2.gz UGVFOQATLLKHGI-VIFPVBQESA-N 2 2 289.326 3.142 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CCC1 ZINC000429517211 372372579 /nfs/dbraw/zinc/37/25/79/372372579.db2.gz MVTDNLAJBQVTCY-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000162226136 372382460 /nfs/dbraw/zinc/38/24/60/372382460.db2.gz HVAAFGJRECHJNR-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP COCC1(CC[NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000293705405 372455625 /nfs/dbraw/zinc/45/56/25/372455625.db2.gz RZCWGXLYOYHXLH-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000293710592 372457069 /nfs/dbraw/zinc/45/70/69/372457069.db2.gz LYLWHABKNGOZCB-ZDUSSCGKSA-N 2 2 255.365 3.111 20 0 CGADLP c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cc1C1CCC1 ZINC000294157492 372598605 /nfs/dbraw/zinc/59/86/05/372598605.db2.gz VUWJXSBUIQLTSJ-HZPDHXFCSA-N 2 2 271.408 3.388 20 0 CGADLP c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]cc1C1CCC1 ZINC000294157492 372598612 /nfs/dbraw/zinc/59/86/12/372598612.db2.gz VUWJXSBUIQLTSJ-HZPDHXFCSA-N 2 2 271.408 3.388 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccccc32)CC[N@@H+]1C ZINC000168708988 372617852 /nfs/dbraw/zinc/61/78/52/372617852.db2.gz YKABKDLOUBBFNZ-TZMCWYRMSA-N 2 2 255.365 3.129 20 0 CGADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccccc32)CC[N@H+]1C ZINC000168708988 372617857 /nfs/dbraw/zinc/61/78/57/372617857.db2.gz YKABKDLOUBBFNZ-TZMCWYRMSA-N 2 2 255.365 3.129 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000344537616 217224425 /nfs/dbraw/zinc/22/44/25/217224425.db2.gz VVTOCZVAZIINEC-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295445057 372783437 /nfs/dbraw/zinc/78/34/37/372783437.db2.gz PSDMJNAKGUWTOX-VQIMIIECSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295445057 372783441 /nfs/dbraw/zinc/78/34/41/372783441.db2.gz PSDMJNAKGUWTOX-VQIMIIECSA-N 2 2 295.430 3.000 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730198 372797390 /nfs/dbraw/zinc/79/73/90/372797390.db2.gz GKDJLWNSOLWWNO-UIBBOPPKSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435730198 372797403 /nfs/dbraw/zinc/79/74/03/372797403.db2.gz GKDJLWNSOLWWNO-UIBBOPPKSA-N 2 2 278.827 3.126 20 0 CGADLP COC1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000344615397 217248977 /nfs/dbraw/zinc/24/89/77/217248977.db2.gz GEKNSILBSXSMNX-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)c1[nH+]ccn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000438311192 372923531 /nfs/dbraw/zinc/92/35/31/372923531.db2.gz HPYPZDQIWFIXCO-UHFFFAOYSA-N 2 2 280.375 3.300 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000444731750 373253772 /nfs/dbraw/zinc/25/37/72/373253772.db2.gz JQAIMQMPERALLZ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c1 ZINC000444731750 373253778 /nfs/dbraw/zinc/25/37/78/373253778.db2.gz JQAIMQMPERALLZ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000444731750 373253783 /nfs/dbraw/zinc/25/37/83/373253783.db2.gz JQAIMQMPERALLZ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c1 ZINC000444731750 373253786 /nfs/dbraw/zinc/25/37/86/373253786.db2.gz JQAIMQMPERALLZ-HNNXBMFYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344899295 217349149 /nfs/dbraw/zinc/34/91/49/217349149.db2.gz DWEKYOGOJQPLOJ-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H](C)C1 ZINC000344899295 217349153 /nfs/dbraw/zinc/34/91/53/217349153.db2.gz DWEKYOGOJQPLOJ-KXBFYZLASA-N 2 2 295.430 3.178 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000297946347 373285667 /nfs/dbraw/zinc/28/56/67/373285667.db2.gz VNJQEOVOKVMLBG-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000297946347 373285673 /nfs/dbraw/zinc/28/56/73/373285673.db2.gz VNJQEOVOKVMLBG-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447983221 373534686 /nfs/dbraw/zinc/53/46/86/373534686.db2.gz PXWIJTNWUXQBDM-LIRZEXBASA-N 2 2 272.436 3.411 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447983221 373534690 /nfs/dbraw/zinc/53/46/90/373534690.db2.gz PXWIJTNWUXQBDM-LIRZEXBASA-N 2 2 272.436 3.411 20 0 CGADLP COc1cccc([C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000175663802 373500640 /nfs/dbraw/zinc/50/06/40/373500640.db2.gz RDHGZQJLMXUIRW-CQSZACIVSA-N 2 2 285.391 3.290 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447938490 373524583 /nfs/dbraw/zinc/52/45/83/373524583.db2.gz GEQOUWOCQQDOIW-QWHCGFSZSA-N 2 2 295.496 3.403 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCCOC(C)C)c[nH+]1 ZINC000353645182 220221771 /nfs/dbraw/zinc/22/17/71/220221771.db2.gz BPBOLCUMKJGYEV-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCCOC(C)C)c[nH+]1 ZINC000353645182 220221775 /nfs/dbraw/zinc/22/17/75/220221775.db2.gz BPBOLCUMKJGYEV-UHFFFAOYSA-N 2 2 264.413 3.070 20 0 CGADLP c1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000299924234 373615326 /nfs/dbraw/zinc/61/53/26/373615326.db2.gz ZBXIUXONVDRFQF-ZWKOTPCHSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000299924234 373615335 /nfs/dbraw/zinc/61/53/35/373615335.db2.gz ZBXIUXONVDRFQF-ZWKOTPCHSA-N 2 2 266.388 3.024 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cccc[nH+]2)C1 ZINC000301109862 373662800 /nfs/dbraw/zinc/66/28/00/373662800.db2.gz RECBNHWWVOMWMY-GASCZTMLSA-N 2 2 261.413 3.252 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccc[nH+]2)C1 ZINC000301109862 373662808 /nfs/dbraw/zinc/66/28/08/373662808.db2.gz RECBNHWWVOMWMY-GASCZTMLSA-N 2 2 261.413 3.252 20 0 CGADLP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C)o1 ZINC000178228476 373755947 /nfs/dbraw/zinc/75/59/47/373755947.db2.gz QPELJSJHIRMTFF-HNNXBMFYSA-N 2 2 294.439 3.128 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449485658 373776319 /nfs/dbraw/zinc/77/63/19/373776319.db2.gz QZWSHKKEXRNZBK-NEPJUHHUSA-N 2 2 278.362 3.039 20 0 CGADLP Cc1csc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000449481171 373769036 /nfs/dbraw/zinc/76/90/36/373769036.db2.gz RFOURXYZHFTDCJ-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)n2c1 ZINC000449480865 373769212 /nfs/dbraw/zinc/76/92/12/373769212.db2.gz PLLZEONCCKRIRI-OAHLLOKOSA-N 2 2 299.418 3.082 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc21 ZINC000179661970 373900483 /nfs/dbraw/zinc/90/04/83/373900483.db2.gz DHMIGGYGGXIOHF-KRWDZBQOSA-N 2 2 277.371 3.454 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc21 ZINC000179661970 373900494 /nfs/dbraw/zinc/90/04/94/373900494.db2.gz DHMIGGYGGXIOHF-KRWDZBQOSA-N 2 2 277.371 3.454 20 0 CGADLP COC[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000449773113 373900949 /nfs/dbraw/zinc/90/09/49/373900949.db2.gz HYNLLMWLAHLEPE-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000449773113 373900957 /nfs/dbraw/zinc/90/09/57/373900957.db2.gz HYNLLMWLAHLEPE-KRWDZBQOSA-N 2 2 276.424 3.071 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000179384647 373865621 /nfs/dbraw/zinc/86/56/21/373865621.db2.gz RIZIWCZMIRKFKC-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP CC(C)c1nc(N2CC[C@H]([NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302919711 374006214 /nfs/dbraw/zinc/00/62/14/374006214.db2.gz YQZFRAWTHJEFBF-ZDUSSCGKSA-N 2 2 290.455 3.038 20 0 CGADLP c1cn2c(cccc2C[N@@H+](C[C@H]2CCCO2)C2CCCC2)[nH+]1 ZINC000180456052 374011421 /nfs/dbraw/zinc/01/14/21/374011421.db2.gz XVYWDSDERMODKR-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP c1cn2c(cccc2C[N@H+](C[C@H]2CCCO2)C2CCCC2)[nH+]1 ZINC000180456052 374011424 /nfs/dbraw/zinc/01/14/24/374011424.db2.gz XVYWDSDERMODKR-QGZVFWFLSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)C[N@@H+]1C1CC1 ZINC000180348851 373993325 /nfs/dbraw/zinc/99/33/25/373993325.db2.gz SZCGJQMRTIWCHX-ZBFHGGJFSA-N 2 2 270.420 3.281 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC2)C[N@H+]1C1CC1 ZINC000180348851 373993332 /nfs/dbraw/zinc/99/33/32/373993332.db2.gz SZCGJQMRTIWCHX-ZBFHGGJFSA-N 2 2 270.420 3.281 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181652178 374150101 /nfs/dbraw/zinc/15/01/01/374150101.db2.gz QSKJQFQWKLODBT-DOMZBBRYSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181652178 374150106 /nfs/dbraw/zinc/15/01/06/374150106.db2.gz QSKJQFQWKLODBT-DOMZBBRYSA-N 2 2 296.842 3.311 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469148 374150615 /nfs/dbraw/zinc/15/06/15/374150615.db2.gz QPTHTBIUAYBJME-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469148 374150625 /nfs/dbraw/zinc/15/06/25/374150625.db2.gz QPTHTBIUAYBJME-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469148 374150631 /nfs/dbraw/zinc/15/06/31/374150631.db2.gz QPTHTBIUAYBJME-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)C[C@@H]1C ZINC000450469148 374150638 /nfs/dbraw/zinc/15/06/38/374150638.db2.gz QPTHTBIUAYBJME-KBXCAEBGSA-N 2 2 288.435 3.194 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309734345 374194491 /nfs/dbraw/zinc/19/44/91/374194491.db2.gz QDIRNDDPCSGXTP-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309734345 374194495 /nfs/dbraw/zinc/19/44/95/374194495.db2.gz QDIRNDDPCSGXTP-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309882079 374202520 /nfs/dbraw/zinc/20/25/20/374202520.db2.gz JVRMTMWZVCKNPD-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309882079 374202526 /nfs/dbraw/zinc/20/25/26/374202526.db2.gz JVRMTMWZVCKNPD-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Clc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310191425 374210260 /nfs/dbraw/zinc/21/02/60/374210260.db2.gz DFZQQQOXLNKTHX-WDEREUQCSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310191425 374210266 /nfs/dbraw/zinc/21/02/66/374210266.db2.gz DFZQQQOXLNKTHX-WDEREUQCSA-N 2 2 270.829 3.118 20 0 CGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182625131 374300298 /nfs/dbraw/zinc/30/02/98/374300298.db2.gz ZIRJMIBETUBOIT-UHFFFAOYSA-N 2 2 257.381 3.184 20 0 CGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182625131 374300303 /nfs/dbraw/zinc/30/03/03/374300303.db2.gz ZIRJMIBETUBOIT-UHFFFAOYSA-N 2 2 257.381 3.184 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC000182778789 374326417 /nfs/dbraw/zinc/32/64/17/374326417.db2.gz GQZYGRYLKXUYSJ-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP c1cn(CCC[N@H+]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC000182778789 374326419 /nfs/dbraw/zinc/32/64/19/374326419.db2.gz GQZYGRYLKXUYSJ-UHFFFAOYSA-N 2 2 261.413 3.320 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000328336781 374363215 /nfs/dbraw/zinc/36/32/15/374363215.db2.gz JLJSNAALLGLIAR-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000328336781 374363224 /nfs/dbraw/zinc/36/32/24/374363224.db2.gz JLJSNAALLGLIAR-GXTWGEPZSA-N 2 2 264.438 3.153 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)[nH]1 ZINC000334191664 206170893 /nfs/dbraw/zinc/17/08/93/206170893.db2.gz PHFZLBWACXCHLQ-HNNXBMFYSA-N 2 2 289.423 3.081 20 0 CGADLP CSCCCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000185163711 374599770 /nfs/dbraw/zinc/59/97/70/374599770.db2.gz BHZWMYXNAUENIM-UHFFFAOYSA-N 2 2 277.437 3.266 20 0 CGADLP Fc1cccc(F)c1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000185328095 374639460 /nfs/dbraw/zinc/63/94/60/374639460.db2.gz ZHXRHFBGIMGVSS-ZDUSSCGKSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(F)c1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000185328095 374639466 /nfs/dbraw/zinc/63/94/66/374639466.db2.gz ZHXRHFBGIMGVSS-ZDUSSCGKSA-N 2 2 291.345 3.041 20 0 CGADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185192411 374606876 /nfs/dbraw/zinc/60/68/76/374606876.db2.gz ZKXPNFVQRBBTOM-JKSUJKDBSA-N 2 2 287.407 3.018 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185676941 374712432 /nfs/dbraw/zinc/71/24/32/374712432.db2.gz GQKJWJVWONNIJQ-BEFAXECRSA-N 2 2 298.430 3.476 20 0 CGADLP COc1ccccc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185682754 374713182 /nfs/dbraw/zinc/71/31/82/374713182.db2.gz OQHFWPHRIVXLAI-HNAYVOBHSA-N 2 2 298.430 3.476 20 0 CGADLP CC[C@H](C[N@H+](CC)CCn1cc[nH+]c1)c1ccccc1 ZINC000186612043 374886391 /nfs/dbraw/zinc/88/63/91/374886391.db2.gz XGZZBLCGYIBBJD-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP CC[C@H](C[N@@H+](CC)CCn1cc[nH+]c1)c1ccccc1 ZINC000186612043 374886398 /nfs/dbraw/zinc/88/63/98/374886398.db2.gz XGZZBLCGYIBBJD-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2c1CCC2 ZINC000334542137 374838090 /nfs/dbraw/zinc/83/80/90/374838090.db2.gz BWPGKUZKLMDKCY-SFHVURJKSA-N 2 2 299.462 3.021 20 0 CGADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2c1CCC2 ZINC000334542137 374838097 /nfs/dbraw/zinc/83/80/97/374838097.db2.gz BWPGKUZKLMDKCY-SFHVURJKSA-N 2 2 299.462 3.021 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000463696589 374846658 /nfs/dbraw/zinc/84/66/58/374846658.db2.gz CZCNZPPSHHGDOF-HOCLYGCPSA-N 2 2 250.430 3.197 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCC2=CCCCCC2)[C@@H](C)C1 ZINC000463696589 374846659 /nfs/dbraw/zinc/84/66/59/374846659.db2.gz CZCNZPPSHHGDOF-HOCLYGCPSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCCC2)C[N@@H+]1C1CC1 ZINC000463698259 374846821 /nfs/dbraw/zinc/84/68/21/374846821.db2.gz LMCBVCXFHJPRAH-ZBFHGGJFSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCCC2)C[N@H+]1C1CC1 ZINC000463698259 374846825 /nfs/dbraw/zinc/84/68/25/374846825.db2.gz LMCBVCXFHJPRAH-ZBFHGGJFSA-N 2 2 262.441 3.482 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858867 /nfs/dbraw/zinc/85/88/67/374858867.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858870 /nfs/dbraw/zinc/85/88/70/374858870.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858874 /nfs/dbraw/zinc/85/88/74/374858874.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000334559176 374858876 /nfs/dbraw/zinc/85/88/76/374858876.db2.gz ADYWGGMRGPCGQK-MAUKXSAKSA-N 2 2 297.446 3.458 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1c1ccccc1 ZINC000464073672 374862782 /nfs/dbraw/zinc/86/27/82/374862782.db2.gz LIWQHUKIKQGUTE-WSWKGWCUSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1c1ccccc1 ZINC000464073672 374862786 /nfs/dbraw/zinc/86/27/86/374862786.db2.gz LIWQHUKIKQGUTE-WSWKGWCUSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CS1 ZINC000094470808 541987597 /nfs/dbraw/zinc/98/75/97/541987597.db2.gz GFJQBIZYOOCQQP-OIISXLGYSA-N 2 2 290.476 3.307 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000334870434 375040420 /nfs/dbraw/zinc/04/04/20/375040420.db2.gz REWGUOHKYLULPU-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000334870434 375040424 /nfs/dbraw/zinc/04/04/24/375040424.db2.gz REWGUOHKYLULPU-ZDUSSCGKSA-N 2 2 275.783 3.063 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCCC(F)(F)C3)c[nH+]c12 ZINC000335046245 375089685 /nfs/dbraw/zinc/08/96/85/375089685.db2.gz XEBRMQIHBRYUSE-LBPRGKRZSA-N 2 2 279.334 3.310 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000474604312 375119492 /nfs/dbraw/zinc/11/94/92/375119492.db2.gz HGUXCZXRCPEWJF-MAUKXSAKSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H]([NH2+]C/C=C/c1ccncc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487562449 375254708 /nfs/dbraw/zinc/25/47/08/375254708.db2.gz SDQVJQFBSIJUOD-KRCKVYFQSA-N 2 2 295.430 3.376 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000189069459 375317952 /nfs/dbraw/zinc/31/79/52/375317952.db2.gz RCJWEPFSMLZAKU-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069459 375317955 /nfs/dbraw/zinc/31/79/55/375317955.db2.gz RCJWEPFSMLZAKU-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069459 375317958 /nfs/dbraw/zinc/31/79/58/375317958.db2.gz RCJWEPFSMLZAKU-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069459 375317964 /nfs/dbraw/zinc/31/79/64/375317964.db2.gz RCJWEPFSMLZAKU-SMDDNHRTSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@]1(C[NH2+]Cc2cc[nH]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000189385078 375380828 /nfs/dbraw/zinc/38/08/28/375380828.db2.gz HJNQLJQTQNOPLO-GOSISDBHSA-N 2 2 283.419 3.159 20 0 CGADLP C[C@]1(C[NH2+]Cc2cc[nH]c2)CCC[N@H+]1Cc1ccccc1 ZINC000189385078 375380831 /nfs/dbraw/zinc/38/08/31/375380831.db2.gz HJNQLJQTQNOPLO-GOSISDBHSA-N 2 2 283.419 3.159 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCCC34CCOCC4)c[nH+]c12 ZINC000335920842 375540159 /nfs/dbraw/zinc/54/01/59/375540159.db2.gz RRCOVVHFZDZFIN-INIZCTEOSA-N 2 2 299.418 3.082 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cnc3ccccc3c1)CC2 ZINC000335920376 375540179 /nfs/dbraw/zinc/54/01/79/375540179.db2.gz DDNHPJYCYWZIFP-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1cnc3ccccc3c1)CC2 ZINC000335920376 375540186 /nfs/dbraw/zinc/54/01/86/375540186.db2.gz DDNHPJYCYWZIFP-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000336002752 375609859 /nfs/dbraw/zinc/60/98/59/375609859.db2.gz WUQSHGYPNCRHFR-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000336002752 375609860 /nfs/dbraw/zinc/60/98/60/375609860.db2.gz WUQSHGYPNCRHFR-UONOGXRCSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127838848 542048116 /nfs/dbraw/zinc/04/81/16/542048116.db2.gz SQNSYQBECAWLOQ-CVEARBPZSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127838848 542048120 /nfs/dbraw/zinc/04/81/20/542048120.db2.gz SQNSYQBECAWLOQ-CVEARBPZSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336412197 375791337 /nfs/dbraw/zinc/79/13/37/375791337.db2.gz NRWOANXYLPZQJC-OAHLLOKOSA-N 2 2 299.418 3.018 20 0 CGADLP Clc1csc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000193141167 375832671 /nfs/dbraw/zinc/83/26/71/375832671.db2.gz NZZUTBOQRGWVJW-UHFFFAOYSA-N 2 2 281.812 3.388 20 0 CGADLP C[C@H](CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000520498194 375859692 /nfs/dbraw/zinc/85/96/92/375859692.db2.gz LXTABFDROCTMGP-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](CC[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000520498194 375859698 /nfs/dbraw/zinc/85/96/98/375859698.db2.gz LXTABFDROCTMGP-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP CC(C)C1CCC(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000336813847 375966485 /nfs/dbraw/zinc/96/64/85/375966485.db2.gz VQQHPALWAGKLQJ-UHFFFAOYSA-N 2 2 263.429 3.325 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccnc4ccccc34)CC2)c[nH+]1 ZINC000535821775 376067184 /nfs/dbraw/zinc/06/71/84/376067184.db2.gz SSVKZNAESXLWOS-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337219275 376145873 /nfs/dbraw/zinc/14/58/73/376145873.db2.gz CKHTXFCFSJQGIV-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337219275 376145879 /nfs/dbraw/zinc/14/58/79/376145879.db2.gz CKHTXFCFSJQGIV-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000215993537 376154815 /nfs/dbraw/zinc/15/48/15/376154815.db2.gz XYZDUKGVMNBUEY-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1Cl ZINC000215993537 376154821 /nfs/dbraw/zinc/15/48/21/376154821.db2.gz XYZDUKGVMNBUEY-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000337270726 376183128 /nfs/dbraw/zinc/18/31/28/376183128.db2.gz ZYCXMWVHAICWSB-IINYFYTJSA-N 2 2 261.756 3.088 20 0 CGADLP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337446247 376222178 /nfs/dbraw/zinc/22/21/78/376222178.db2.gz GRSNERWALIWVPG-WCQYABFASA-N 2 2 278.362 3.181 20 0 CGADLP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000223512260 376255492 /nfs/dbraw/zinc/25/54/92/376255492.db2.gz SUPBWHTWTUXUPY-WMLDXEAASA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539653911 376325432 /nfs/dbraw/zinc/32/54/32/376325432.db2.gz DEYFODFJEMKWCP-YOEHRIQHSA-N 2 2 270.420 3.182 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539653911 376325434 /nfs/dbraw/zinc/32/54/34/376325434.db2.gz DEYFODFJEMKWCP-YOEHRIQHSA-N 2 2 270.420 3.182 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000226012418 376337673 /nfs/dbraw/zinc/33/76/73/376337673.db2.gz YUCMYHBZBLKITL-CXAGYDPISA-N 2 2 283.419 3.229 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000226012418 376337677 /nfs/dbraw/zinc/33/76/77/376337677.db2.gz YUCMYHBZBLKITL-CXAGYDPISA-N 2 2 283.419 3.229 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(C)cc1OCC[NH+](C)C ZINC000538969476 376283554 /nfs/dbraw/zinc/28/35/54/376283554.db2.gz ZDGBAWCMHUXSJY-CYBMUJFWSA-N 2 2 264.413 3.393 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780517 376395810 /nfs/dbraw/zinc/39/58/10/376395810.db2.gz GBKFZGXULUGMMH-OCCSQVGLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780517 376395815 /nfs/dbraw/zinc/39/58/15/376395815.db2.gz GBKFZGXULUGMMH-OCCSQVGLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230408006 376513250 /nfs/dbraw/zinc/51/32/50/376513250.db2.gz YNBWWNWYJYJBLC-GOEBONIOSA-N 2 2 269.392 3.398 20 0 CGADLP C[N@H+](Cc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231459426 376558733 /nfs/dbraw/zinc/55/87/33/376558733.db2.gz UXDDBTLKJPMZLM-CYBMUJFWSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231459426 376558736 /nfs/dbraw/zinc/55/87/36/376558736.db2.gz UXDDBTLKJPMZLM-CYBMUJFWSA-N 2 2 281.469 3.015 20 0 CGADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCCCCC1 ZINC000542472717 376545639 /nfs/dbraw/zinc/54/56/39/376545639.db2.gz AFVNXXHOSQFDEB-HOCLYGCPSA-N 2 2 284.513 3.372 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000235041569 376630386 /nfs/dbraw/zinc/63/03/86/376630386.db2.gz TZTAZJGXFGEPEW-QWHCGFSZSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000235041569 376630388 /nfs/dbraw/zinc/63/03/88/376630388.db2.gz TZTAZJGXFGEPEW-QWHCGFSZSA-N 2 2 285.391 3.138 20 0 CGADLP C[N@H+](CC[NH2+]Cc1cccc2cc[nH]c21)Cc1ccccc1 ZINC000237157932 376732038 /nfs/dbraw/zinc/73/20/38/376732038.db2.gz QJYJMVFQPXBISR-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[N@@H+](CC[NH2+]Cc1cccc2cc[nH]c21)Cc1ccccc1 ZINC000237157932 376732049 /nfs/dbraw/zinc/73/20/49/376732049.db2.gz QJYJMVFQPXBISR-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccc(F)c2F)C1 ZINC000544145528 376710858 /nfs/dbraw/zinc/71/08/58/376710858.db2.gz MBTRBHNRMXGAFO-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000544145528 376710863 /nfs/dbraw/zinc/71/08/63/376710863.db2.gz MBTRBHNRMXGAFO-CQSZACIVSA-N 2 2 296.405 3.171 20 0 CGADLP CCCOc1cccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000545148970 376789015 /nfs/dbraw/zinc/78/90/15/376789015.db2.gz ZJBVIMUGNSJVQS-UHFFFAOYSA-N 2 2 288.435 3.217 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157465329 542133842 /nfs/dbraw/zinc/13/38/42/542133842.db2.gz NLJGNKHSOAUMQC-LNHVQRHZSA-N 2 2 271.364 3.087 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157023595 542132225 /nfs/dbraw/zinc/13/22/25/542132225.db2.gz PGZIBFJOKKTLIK-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000157023595 542132227 /nfs/dbraw/zinc/13/22/27/542132227.db2.gz PGZIBFJOKKTLIK-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245742990 376897910 /nfs/dbraw/zinc/89/79/10/376897910.db2.gz MELZWPNDJUFVOA-NVXWUHKLSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000245742990 376897922 /nfs/dbraw/zinc/89/79/22/376897922.db2.gz MELZWPNDJUFVOA-NVXWUHKLSA-N 2 2 269.392 3.009 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245562475 376855778 /nfs/dbraw/zinc/85/57/78/376855778.db2.gz XWAZFPJZCRCHOM-CABCVRRESA-N 2 2 299.418 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245562475 376855781 /nfs/dbraw/zinc/85/57/81/376855781.db2.gz XWAZFPJZCRCHOM-CABCVRRESA-N 2 2 299.418 3.307 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)C)cc1 ZINC000556602506 376863205 /nfs/dbraw/zinc/86/32/05/376863205.db2.gz PDPDPBJJIACMEX-WMLDXEAASA-N 2 2 278.440 3.322 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278141 376929639 /nfs/dbraw/zinc/92/96/39/376929639.db2.gz YGRWMRXFKFNGGC-HIFRSBDPSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000557278141 376929648 /nfs/dbraw/zinc/92/96/48/376929648.db2.gz YGRWMRXFKFNGGC-HIFRSBDPSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@]1(C)CCCO1 ZINC000340206983 376950260 /nfs/dbraw/zinc/95/02/60/376950260.db2.gz QZFXCVJXDYRMLS-CXAGYDPISA-N 2 2 287.407 3.043 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246212180 376989025 /nfs/dbraw/zinc/98/90/25/376989025.db2.gz PHMCCRSYZIFPHZ-WFASDCNBSA-N 2 2 266.816 3.160 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246212180 376989033 /nfs/dbraw/zinc/98/90/33/376989033.db2.gz PHMCCRSYZIFPHZ-WFASDCNBSA-N 2 2 266.816 3.160 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246915793 377119458 /nfs/dbraw/zinc/11/94/58/377119458.db2.gz GMAMMZULEGZDMY-OCCSQVGLSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246915793 377119461 /nfs/dbraw/zinc/11/94/61/377119461.db2.gz GMAMMZULEGZDMY-OCCSQVGLSA-N 2 2 280.412 3.046 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000558973300 377057782 /nfs/dbraw/zinc/05/77/82/377057782.db2.gz HPSDNDJUVUJTKZ-HOCLYGCPSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000558973300 377057788 /nfs/dbraw/zinc/05/77/88/377057788.db2.gz HPSDNDJUVUJTKZ-HOCLYGCPSA-N 2 2 252.446 3.133 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000559892728 377105938 /nfs/dbraw/zinc/10/59/38/377105938.db2.gz YZSQMKDSZNHHFY-HRCADAONSA-N 2 2 294.389 3.142 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559892728 377105949 /nfs/dbraw/zinc/10/59/49/377105949.db2.gz YZSQMKDSZNHHFY-HRCADAONSA-N 2 2 294.389 3.142 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cs1 ZINC000560354424 377143311 /nfs/dbraw/zinc/14/33/11/377143311.db2.gz URQOQJRVHOWJED-GFCCVEGCSA-N 2 2 275.421 3.440 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000247098136 377160513 /nfs/dbraw/zinc/16/05/13/377160513.db2.gz XVMSXRPYFDQMJE-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000247098136 377160521 /nfs/dbraw/zinc/16/05/21/377160521.db2.gz XVMSXRPYFDQMJE-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000247098136 377160533 /nfs/dbraw/zinc/16/05/33/377160533.db2.gz XVMSXRPYFDQMJE-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000247098136 377160542 /nfs/dbraw/zinc/16/05/42/377160542.db2.gz XVMSXRPYFDQMJE-AEFFLSMTSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000247132175 377164453 /nfs/dbraw/zinc/16/44/53/377164453.db2.gz VNQBUCIFGPWDCW-LMMKCTJWSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000247132175 377164463 /nfs/dbraw/zinc/16/44/63/377164463.db2.gz VNQBUCIFGPWDCW-LMMKCTJWSA-N 2 2 299.462 3.238 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000247177561 377171511 /nfs/dbraw/zinc/17/15/11/377171511.db2.gz YXNCHLHRLYCHRA-GJZGRUSLSA-N 2 2 278.440 3.117 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000247177561 377171517 /nfs/dbraw/zinc/17/15/17/377171517.db2.gz YXNCHLHRLYCHRA-GJZGRUSLSA-N 2 2 278.440 3.117 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000560583506 377177977 /nfs/dbraw/zinc/17/79/77/377177977.db2.gz ZPLYFEIXVPACKT-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000560583506 377177987 /nfs/dbraw/zinc/17/79/87/377177987.db2.gz ZPLYFEIXVPACKT-CAOSSQGBSA-N 2 2 250.430 3.029 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000247788353 377240395 /nfs/dbraw/zinc/24/03/95/377240395.db2.gz YUIQXBVLJVTHCC-HUUCEWRRSA-N 2 2 287.432 3.194 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000247788353 377240398 /nfs/dbraw/zinc/24/03/98/377240398.db2.gz YUIQXBVLJVTHCC-HUUCEWRRSA-N 2 2 287.432 3.194 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248177227 377278076 /nfs/dbraw/zinc/27/80/76/377278076.db2.gz VTXWIVXOJMDMKM-ZFWWWQNUSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000248177227 377278078 /nfs/dbraw/zinc/27/80/78/377278078.db2.gz VTXWIVXOJMDMKM-ZFWWWQNUSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000248177227 377278086 /nfs/dbraw/zinc/27/80/86/377278086.db2.gz VTXWIVXOJMDMKM-ZFWWWQNUSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000248177227 377278089 /nfs/dbraw/zinc/27/80/89/377278089.db2.gz VTXWIVXOJMDMKM-ZFWWWQNUSA-N 2 2 293.480 3.183 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248652270 377375880 /nfs/dbraw/zinc/37/58/80/377375880.db2.gz YCWHZPXCCLMLCL-ZMSDIMECSA-N 2 2 278.440 3.083 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1scnc1C1CC1)C1CCCCC1 ZINC000562744707 377356248 /nfs/dbraw/zinc/35/62/48/377356248.db2.gz BVLNFQQUFGCENQ-ZDUSSCGKSA-N 2 2 279.453 3.018 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000563443403 377468546 /nfs/dbraw/zinc/46/85/46/377468546.db2.gz GCZIFXBCJQXJIF-STQMWFEESA-N 2 2 280.378 3.427 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000249875767 377539508 /nfs/dbraw/zinc/53/95/08/377539508.db2.gz GWJJAZXWGKQMNK-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000249875767 377539517 /nfs/dbraw/zinc/53/95/17/377539517.db2.gz GWJJAZXWGKQMNK-IRXDYDNUSA-N 2 2 290.476 3.136 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000268851172 249061241 /nfs/dbraw/zinc/06/12/41/249061241.db2.gz CRWWYVZPAVXLSZ-RBSFLKMASA-N 2 2 278.440 3.129 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)C[NH+](C)C ZINC000312550921 249080497 /nfs/dbraw/zinc/08/04/97/249080497.db2.gz BMESIWONUVSXNY-MRVPVSSYSA-N 2 2 281.252 3.342 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374611946 249119901 /nfs/dbraw/zinc/11/99/01/249119901.db2.gz KRXNRMWJHQIUDG-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374611946 249119903 /nfs/dbraw/zinc/11/99/03/249119903.db2.gz KRXNRMWJHQIUDG-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000250061095 377548297 /nfs/dbraw/zinc/54/82/97/377548297.db2.gz NACVBHUPVZWDNT-VIBAHUMZSA-N 2 2 297.402 3.090 20 0 CGADLP Cc1csc(C2([NH2+]CCc3cc[nH+]cc3C)CCC2)n1 ZINC000517027375 249254555 /nfs/dbraw/zinc/25/45/55/249254555.db2.gz JLJLDYBOIKSDAO-UHFFFAOYSA-N 2 2 287.432 3.366 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000179960914 542204508 /nfs/dbraw/zinc/20/45/08/542204508.db2.gz DKFHXKQLGVKQHK-KSSFIOAISA-N 2 2 298.434 3.206 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)C[N@@H+]1C1CC1 ZINC000252712249 377654923 /nfs/dbraw/zinc/65/49/23/377654923.db2.gz LXMBAYPFMJVPPE-NFAWXSAZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2(C)C)C[N@H+]1C1CC1 ZINC000252712249 377654931 /nfs/dbraw/zinc/65/49/31/377654931.db2.gz LXMBAYPFMJVPPE-NFAWXSAZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000342693373 377739498 /nfs/dbraw/zinc/73/94/98/377739498.db2.gz ACFQJDKHLZJRSK-DJIMGWMZSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000342693373 377739505 /nfs/dbraw/zinc/73/95/05/377739505.db2.gz ACFQJDKHLZJRSK-DJIMGWMZSA-N 2 2 287.451 3.070 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]2c2ccccc2)[nH+]1 ZINC000342678186 377728902 /nfs/dbraw/zinc/72/89/02/377728902.db2.gz SYNJXRBJZFYFKM-INIZCTEOSA-N 2 2 263.344 3.281 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H]2c2ccccc2)[nH+]1 ZINC000342678186 377728907 /nfs/dbraw/zinc/72/89/07/377728907.db2.gz SYNJXRBJZFYFKM-INIZCTEOSA-N 2 2 263.344 3.281 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1)Cc1cccc2[nH+]ccn21 ZINC000342685545 377732850 /nfs/dbraw/zinc/73/28/50/377732850.db2.gz BUMQOYWRNFFMML-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)Cc1cccc2[nH+]ccn21 ZINC000342685545 377732863 /nfs/dbraw/zinc/73/28/63/377732863.db2.gz BUMQOYWRNFFMML-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP Cc1cc[nH+]c(NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000342771741 377782572 /nfs/dbraw/zinc/78/25/72/377782572.db2.gz VZDMEELVKDGALT-UHFFFAOYSA-N 2 2 273.355 3.203 20 0 CGADLP CCC1(C)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342720603 377753927 /nfs/dbraw/zinc/75/39/27/377753927.db2.gz FXGRVMXPSNEKNV-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccccc2)CC[N@@H+]1C ZINC000255896733 377785953 /nfs/dbraw/zinc/78/59/53/377785953.db2.gz AJRBQIMUJGXPCD-VONQVCDISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccccc2)CC[N@H+]1C ZINC000255896733 377785961 /nfs/dbraw/zinc/78/59/61/377785961.db2.gz AJRBQIMUJGXPCD-VONQVCDISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccccc2)CC[NH+]1C ZINC000255896733 377785968 /nfs/dbraw/zinc/78/59/68/377785968.db2.gz AJRBQIMUJGXPCD-VONQVCDISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccccc2)CC[NH+]1C ZINC000255896733 377785976 /nfs/dbraw/zinc/78/59/76/377785976.db2.gz AJRBQIMUJGXPCD-VONQVCDISA-N 2 2 258.409 3.114 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000261584130 377822852 /nfs/dbraw/zinc/82/28/52/377822852.db2.gz SCSBVOKDQZDMPL-UHIISALHSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]12 ZINC000261584130 377822858 /nfs/dbraw/zinc/82/28/58/377822858.db2.gz SCSBVOKDQZDMPL-UHIISALHSA-N 2 2 285.218 3.163 20 0 CGADLP Cc1cc[nH+]c(C)c1NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000261601872 377825325 /nfs/dbraw/zinc/82/53/25/377825325.db2.gz BXLUXVLLQSRKLO-NSHDSACASA-N 2 2 284.363 3.362 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342937246 377865828 /nfs/dbraw/zinc/86/58/28/377865828.db2.gz GFSLAZCABQJYFA-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2s1 ZINC000262017878 377880129 /nfs/dbraw/zinc/88/01/29/377880129.db2.gz MYELAHSUBCSDCH-ABAIWWIYSA-N 2 2 289.448 3.306 20 0 CGADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])cc2s1 ZINC000262017878 377880130 /nfs/dbraw/zinc/88/01/30/377880130.db2.gz MYELAHSUBCSDCH-ABAIWWIYSA-N 2 2 289.448 3.306 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)[C@@H](C)C1 ZINC000343291622 377947655 /nfs/dbraw/zinc/94/76/55/377947655.db2.gz SBBLMHIKCDAQSL-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)[C@@H](C)C1 ZINC000343291622 377947660 /nfs/dbraw/zinc/94/76/60/377947660.db2.gz SBBLMHIKCDAQSL-AWEZNQCLSA-N 2 2 299.418 3.082 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343108610 377904568 /nfs/dbraw/zinc/90/45/68/377904568.db2.gz MLIHYAAAADRPGZ-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343108610 377904571 /nfs/dbraw/zinc/90/45/71/377904571.db2.gz MLIHYAAAADRPGZ-DZGCQCFKSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC000343141678 377912927 /nfs/dbraw/zinc/91/29/27/377912927.db2.gz LVQFIYBBUNGYJQ-CQSZACIVSA-N 2 2 275.371 3.495 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC000343141678 377912929 /nfs/dbraw/zinc/91/29/29/377912929.db2.gz LVQFIYBBUNGYJQ-CQSZACIVSA-N 2 2 275.371 3.495 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000343548473 378015620 /nfs/dbraw/zinc/01/56/20/378015620.db2.gz KDTJVDJCNSNSFH-HOTGVXAUSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265005386 377996945 /nfs/dbraw/zinc/99/69/45/377996945.db2.gz GCQBUCAFGCKSQC-OLZOCXBDSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000265005386 377996950 /nfs/dbraw/zinc/99/69/50/377996950.db2.gz GCQBUCAFGCKSQC-OLZOCXBDSA-N 2 2 266.816 3.285 20 0 CGADLP CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000343601110 378035125 /nfs/dbraw/zinc/03/51/25/378035125.db2.gz KINVHSFDHFEWPX-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1F ZINC000343601110 378035128 /nfs/dbraw/zinc/03/51/28/378035128.db2.gz KINVHSFDHFEWPX-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000578518591 378077447 /nfs/dbraw/zinc/07/74/47/378077447.db2.gz YRDVMFJNXPFOEO-GFCCVEGCSA-N 2 2 286.341 3.069 20 0 CGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1(C)CC1 ZINC000343737555 378078079 /nfs/dbraw/zinc/07/80/79/378078079.db2.gz JBSNZKLEVJDGKE-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344010027 378152036 /nfs/dbraw/zinc/15/20/36/378152036.db2.gz ZXOMEDBVKVKHPL-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344010027 378152039 /nfs/dbraw/zinc/15/20/39/378152039.db2.gz ZXOMEDBVKVKHPL-FUHWJXTLSA-N 2 2 292.467 3.158 20 0 CGADLP CC(C)C[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268775307 378108389 /nfs/dbraw/zinc/10/83/89/378108389.db2.gz RIFXMBQSKSUPQO-HNNXBMFYSA-N 2 2 271.408 3.456 20 0 CGADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000579887009 378204223 /nfs/dbraw/zinc/20/42/23/378204223.db2.gz KZBIRLPUDODAFX-STQMWFEESA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000579887009 378204229 /nfs/dbraw/zinc/20/42/29/378204229.db2.gz KZBIRLPUDODAFX-STQMWFEESA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000579887009 378204236 /nfs/dbraw/zinc/20/42/36/378204236.db2.gz KZBIRLPUDODAFX-STQMWFEESA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1cnc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000579887009 378204244 /nfs/dbraw/zinc/20/42/44/378204244.db2.gz KZBIRLPUDODAFX-STQMWFEESA-N 2 2 281.469 3.039 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)n1C ZINC000582073646 378283878 /nfs/dbraw/zinc/28/38/78/378283878.db2.gz LKHJZNGKTIEGDY-JTQLQIEISA-N 2 2 295.333 3.181 20 0 CGADLP Cc1cc(C)c(NC(=O)C2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000636581999 378414230 /nfs/dbraw/zinc/41/42/30/378414230.db2.gz QQZYKTMJGLSYHL-UHFFFAOYSA-N 2 2 289.423 3.066 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000270652181 378382649 /nfs/dbraw/zinc/38/26/49/378382649.db2.gz MCJMVVYFWYMTBO-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000270652181 378382653 /nfs/dbraw/zinc/38/26/53/378382653.db2.gz MCJMVVYFWYMTBO-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000271137322 378459640 /nfs/dbraw/zinc/45/96/40/378459640.db2.gz UOQWFEZZISNXSB-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000271137322 378459645 /nfs/dbraw/zinc/45/96/45/378459645.db2.gz UOQWFEZZISNXSB-HNNXBMFYSA-N 2 2 280.375 3.271 20 0 CGADLP CC1(C)[C@@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]21 ZINC000346223823 378510868 /nfs/dbraw/zinc/51/08/68/378510868.db2.gz PYPMDBFDQWPBPE-OKILXGFUSA-N 2 2 273.405 3.022 20 0 CGADLP CC1(C)[C@@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]21 ZINC000346223823 378510874 /nfs/dbraw/zinc/51/08/74/378510874.db2.gz PYPMDBFDQWPBPE-OKILXGFUSA-N 2 2 273.405 3.022 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000637951371 378642610 /nfs/dbraw/zinc/64/26/10/378642610.db2.gz JPENCEHIINYVBP-BFYDXBDKSA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000637951371 378642616 /nfs/dbraw/zinc/64/26/16/378642616.db2.gz JPENCEHIINYVBP-BFYDXBDKSA-N 2 2 296.524 3.467 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000347105905 378707484 /nfs/dbraw/zinc/70/74/84/378707484.db2.gz NRJQFDVNRMWFJD-AWEZNQCLSA-N 2 2 286.419 3.406 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000347105905 378707490 /nfs/dbraw/zinc/70/74/90/378707490.db2.gz NRJQFDVNRMWFJD-AWEZNQCLSA-N 2 2 286.419 3.406 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000638287228 378755666 /nfs/dbraw/zinc/75/56/66/378755666.db2.gz SDTROEWZASEBCH-NUEKZKHPSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173471 378723051 /nfs/dbraw/zinc/72/30/51/378723051.db2.gz XRKUSVWVMVPHNN-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638173471 378723057 /nfs/dbraw/zinc/72/30/57/378723057.db2.gz XRKUSVWVMVPHNN-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@H+](CC(F)F)CC1CCC1 ZINC000348124836 378801543 /nfs/dbraw/zinc/80/15/43/378801543.db2.gz HDAWJIXLUDPWOE-UHFFFAOYSA-N 2 2 285.382 3.339 20 0 CGADLP Cc1[nH+]ccn1CCCC[N@@H+](CC(F)F)CC1CCC1 ZINC000348124836 378801555 /nfs/dbraw/zinc/80/15/55/378801555.db2.gz HDAWJIXLUDPWOE-UHFFFAOYSA-N 2 2 285.382 3.339 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000348101328 378791975 /nfs/dbraw/zinc/79/19/75/378791975.db2.gz JWFHHKJJYANZRG-ZFWWWQNUSA-N 2 2 273.355 3.290 20 0 CGADLP CC[N@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348127282 378803889 /nfs/dbraw/zinc/80/38/89/378803889.db2.gz UWDHQBAJZQTNOA-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348127282 378803893 /nfs/dbraw/zinc/80/38/93/378803893.db2.gz UWDHQBAJZQTNOA-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CCOC1CC(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000638447119 378805893 /nfs/dbraw/zinc/80/58/93/378805893.db2.gz DDFDFOYIPQLHOL-VJFUWPCTSA-N 2 2 290.451 3.002 20 0 CGADLP CCn1nc(C[NH2+]CCc2cc[nH+]cc2C)c2ccccc21 ZINC000274412172 378828034 /nfs/dbraw/zinc/82/80/34/378828034.db2.gz ILCIDLQRFBKJTN-UHFFFAOYSA-N 2 2 294.402 3.092 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348241022 378859288 /nfs/dbraw/zinc/85/92/88/378859288.db2.gz IZFJZRFXQGWMAQ-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348241022 378859298 /nfs/dbraw/zinc/85/92/98/378859298.db2.gz IZFJZRFXQGWMAQ-BPQIPLTHSA-N 2 2 272.436 3.254 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348247278 378862863 /nfs/dbraw/zinc/86/28/63/378862863.db2.gz QSJSJGQPMHQXKX-IAGOWNOFSA-N 2 2 260.425 3.112 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348247278 378862867 /nfs/dbraw/zinc/86/28/67/378862867.db2.gz QSJSJGQPMHQXKX-IAGOWNOFSA-N 2 2 260.425 3.112 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@@H]1CCO1 ZINC000638816844 378922706 /nfs/dbraw/zinc/92/27/06/378922706.db2.gz OWTVARINSHSAJW-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@@H]1CCO1 ZINC000638816844 378922712 /nfs/dbraw/zinc/92/27/12/378922712.db2.gz OWTVARINSHSAJW-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cn1 ZINC000274871562 378911232 /nfs/dbraw/zinc/91/12/32/378911232.db2.gz FVKDOUQLZZRVFG-NSHDSACASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H](Cc1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274892844 378915157 /nfs/dbraw/zinc/91/51/57/378915157.db2.gz KGLHDZDXQFYMOV-OAHLLOKOSA-N 2 2 283.419 3.468 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348417606 378948527 /nfs/dbraw/zinc/94/85/27/378948527.db2.gz IUKOVUVLEBXYMH-AEFFLSMTSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348417606 378948531 /nfs/dbraw/zinc/94/85/31/378948531.db2.gz IUKOVUVLEBXYMH-AEFFLSMTSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@H]3CC[NH2+]C3)c2)nc1 ZINC000347161994 218142140 /nfs/dbraw/zinc/14/21/40/218142140.db2.gz IATKBPFAEZYNKH-SFHVURJKSA-N 2 2 293.414 3.075 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)c2)nc1 ZINC000347161994 218142143 /nfs/dbraw/zinc/14/21/43/218142143.db2.gz IATKBPFAEZYNKH-SFHVURJKSA-N 2 2 293.414 3.075 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000347315753 218189284 /nfs/dbraw/zinc/18/92/84/218189284.db2.gz HTPNFNCNIUJDNH-DLBZAZTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)Cc1ccccc1 ZINC000347315753 218189285 /nfs/dbraw/zinc/18/92/85/218189285.db2.gz HTPNFNCNIUJDNH-DLBZAZTESA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870314 379091212 /nfs/dbraw/zinc/09/12/12/379091212.db2.gz SDBIWBUVGVVJMU-KSNGNJHRSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870314 379091224 /nfs/dbraw/zinc/09/12/24/379091224.db2.gz SDBIWBUVGVVJMU-KSNGNJHRSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000348870314 379091233 /nfs/dbraw/zinc/09/12/33/379091233.db2.gz SDBIWBUVGVVJMU-KSNGNJHRSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000348870314 379091242 /nfs/dbraw/zinc/09/12/42/379091242.db2.gz SDBIWBUVGVVJMU-KSNGNJHRSA-N 2 2 288.435 3.460 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353699410 220265114 /nfs/dbraw/zinc/26/51/14/220265114.db2.gz ASDOCGRETXUAKN-CJNGLKHVSA-N 2 2 284.403 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353699410 220265117 /nfs/dbraw/zinc/26/51/17/220265117.db2.gz ASDOCGRETXUAKN-CJNGLKHVSA-N 2 2 284.403 3.179 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000639192050 379114363 /nfs/dbraw/zinc/11/43/63/379114363.db2.gz OSKSCENEWZHHQT-RBSFLKMASA-N 2 2 273.424 3.382 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000639192050 379114365 /nfs/dbraw/zinc/11/43/65/379114365.db2.gz OSKSCENEWZHHQT-RBSFLKMASA-N 2 2 273.424 3.382 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000277270517 379116423 /nfs/dbraw/zinc/11/64/23/379116423.db2.gz RQGKOOIDZYRJHB-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000277270517 379116436 /nfs/dbraw/zinc/11/64/36/379116436.db2.gz RQGKOOIDZYRJHB-CQSZACIVSA-N 2 2 284.806 3.395 20 0 CGADLP c1ccc(OCCCCC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349327866 379234022 /nfs/dbraw/zinc/23/40/22/379234022.db2.gz GKIXURYLJGPJER-UHFFFAOYSA-N 2 2 288.435 3.016 20 0 CGADLP c1ccc(OCCCCC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349327866 379234029 /nfs/dbraw/zinc/23/40/29/379234029.db2.gz GKIXURYLJGPJER-UHFFFAOYSA-N 2 2 288.435 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCCC34CCC4)cc2)c[nH+]1 ZINC000373101004 379222830 /nfs/dbraw/zinc/22/28/30/379222830.db2.gz UVQKRWLJMHYIPD-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCCC34CCC4)cc2)c[nH+]1 ZINC000373101004 379222841 /nfs/dbraw/zinc/22/28/41/379222841.db2.gz UVQKRWLJMHYIPD-UHFFFAOYSA-N 2 2 267.376 3.391 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349379626 379257599 /nfs/dbraw/zinc/25/75/99/379257599.db2.gz CJQCROSOSQDNQT-DLBZAZTESA-N 2 2 269.392 3.009 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349379626 379257604 /nfs/dbraw/zinc/25/76/04/379257604.db2.gz CJQCROSOSQDNQT-DLBZAZTESA-N 2 2 269.392 3.009 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373524883 379293638 /nfs/dbraw/zinc/29/36/38/379293638.db2.gz VQNIGORNQMMQSX-OOHWJJMZSA-N 2 2 273.424 3.058 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000639375896 379333630 /nfs/dbraw/zinc/33/36/30/379333630.db2.gz JXCMNWBCVPYGDL-UHFFFAOYSA-N 2 2 288.435 3.233 20 0 CGADLP C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000266747138 190278154 /nfs/dbraw/zinc/27/81/54/190278154.db2.gz MZOYZINJTJGCEU-CQSZACIVSA-N 2 2 269.392 3.393 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1 ZINC000639532773 379458043 /nfs/dbraw/zinc/45/80/43/379458043.db2.gz JYUYECXDSJMRGW-HNNXBMFYSA-N 2 2 284.407 3.110 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1 ZINC000639532773 379458054 /nfs/dbraw/zinc/45/80/54/379458054.db2.gz JYUYECXDSJMRGW-HNNXBMFYSA-N 2 2 284.407 3.110 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000347622146 218295808 /nfs/dbraw/zinc/29/58/08/218295808.db2.gz VSIDCTGLWMYHOO-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000347622146 218295810 /nfs/dbraw/zinc/29/58/10/218295810.db2.gz VSIDCTGLWMYHOO-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP Cc1ccncc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000279847224 379533416 /nfs/dbraw/zinc/53/34/16/379533416.db2.gz IBJUUUGKSWLKNA-LJQANCHMSA-N 2 2 295.430 3.317 20 0 CGADLP Cc1ccncc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000280052361 379592365 /nfs/dbraw/zinc/59/23/65/379592365.db2.gz XRFCSGCAYQDCGJ-QAPCUYQASA-N 2 2 283.419 3.171 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000279918994 379553342 /nfs/dbraw/zinc/55/33/42/379553342.db2.gz MLMYGCIFZPMALE-STQMWFEESA-N 2 2 277.799 3.318 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000347673276 218316270 /nfs/dbraw/zinc/31/62/70/218316270.db2.gz HMKUJBHVHGRHSA-QWHCGFSZSA-N 2 2 277.799 3.318 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000640101109 379720278 /nfs/dbraw/zinc/72/02/78/379720278.db2.gz RLPRTLLJSOTQSH-NJAFHUGGSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000640101109 379720285 /nfs/dbraw/zinc/72/02/85/379720285.db2.gz RLPRTLLJSOTQSH-NJAFHUGGSA-N 2 2 288.435 3.132 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543050 379729844 /nfs/dbraw/zinc/72/98/44/379729844.db2.gz SWIMBRGXCLGGSY-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543050 379729849 /nfs/dbraw/zinc/72/98/49/379729849.db2.gz SWIMBRGXCLGGSY-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543050 379729854 /nfs/dbraw/zinc/72/98/54/379729854.db2.gz SWIMBRGXCLGGSY-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000280543050 379729862 /nfs/dbraw/zinc/72/98/62/379729862.db2.gz SWIMBRGXCLGGSY-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000280582682 379739399 /nfs/dbraw/zinc/73/93/99/379739399.db2.gz MPLAFWAPPOGGBM-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377786543 379740695 /nfs/dbraw/zinc/74/06/95/379740695.db2.gz VFKWLWKDZFGQBA-CVEARBPZSA-N 2 2 283.419 3.296 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377786543 379740699 /nfs/dbraw/zinc/74/06/99/379740699.db2.gz VFKWLWKDZFGQBA-CVEARBPZSA-N 2 2 283.419 3.296 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377827492 379747686 /nfs/dbraw/zinc/74/76/86/379747686.db2.gz XGZHGLDKVZJPQW-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377827492 379747690 /nfs/dbraw/zinc/74/76/90/379747690.db2.gz XGZHGLDKVZJPQW-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640219636 379747760 /nfs/dbraw/zinc/74/77/60/379747760.db2.gz MVJGMWOMPUQHAG-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000640219636 379747761 /nfs/dbraw/zinc/74/77/61/379747761.db2.gz MVJGMWOMPUQHAG-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000377826504 379748048 /nfs/dbraw/zinc/74/80/48/379748048.db2.gz NEXVATHNEWISJP-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000377826504 379748052 /nfs/dbraw/zinc/74/80/52/379748052.db2.gz NEXVATHNEWISJP-CQSZACIVSA-N 2 2 287.432 3.132 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352242968 379756499 /nfs/dbraw/zinc/75/64/99/379756499.db2.gz UUSVXPKVAPOGIV-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000352242968 379756501 /nfs/dbraw/zinc/75/65/01/379756501.db2.gz UUSVXPKVAPOGIV-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CCc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cn1 ZINC000352245292 379756765 /nfs/dbraw/zinc/75/67/65/379756765.db2.gz GJMVFURHOZPWFW-UHFFFAOYSA-N 2 2 294.402 3.092 20 0 CGADLP Clc1c[nH+]ccc1NCCCCNc1cccc[nH+]1 ZINC000267431449 190329777 /nfs/dbraw/zinc/32/97/77/190329777.db2.gz WWFQEDUXNBRMIP-UHFFFAOYSA-N 2 2 276.771 3.434 20 0 CGADLP CCC1(CC)CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347785622 218355993 /nfs/dbraw/zinc/35/59/93/218355993.db2.gz NQDKNTBPOAUFKT-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP CCC1(CC)CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347785622 218355995 /nfs/dbraw/zinc/35/59/95/218355995.db2.gz NQDKNTBPOAUFKT-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)oc1C ZINC000282123618 379858629 /nfs/dbraw/zinc/85/86/29/379858629.db2.gz JRMXJGFQPBIPLI-CYBMUJFWSA-N 2 2 264.413 3.420 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)n21 ZINC000352726016 379926512 /nfs/dbraw/zinc/92/65/12/379926512.db2.gz OOHYMUZIYAKDHU-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)n21 ZINC000352726016 379926519 /nfs/dbraw/zinc/92/65/19/379926519.db2.gz OOHYMUZIYAKDHU-ZBFHGGJFSA-N 2 2 269.392 3.407 20 0 CGADLP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307782 379874557 /nfs/dbraw/zinc/87/45/57/379874557.db2.gz AELUFCDOTMWLDF-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307782 379874563 /nfs/dbraw/zinc/87/45/63/379874563.db2.gz AELUFCDOTMWLDF-HZPDHXFCSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H](C)C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347857980 218380229 /nfs/dbraw/zinc/38/02/29/218380229.db2.gz PKPKUYUMIAVNBW-LBPRGKRZSA-N 2 2 269.458 3.073 20 0 CGADLP CC[C@H](C)C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347857980 218380230 /nfs/dbraw/zinc/38/02/30/218380230.db2.gz PKPKUYUMIAVNBW-LBPRGKRZSA-N 2 2 269.458 3.073 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC000399027242 379932258 /nfs/dbraw/zinc/93/22/58/379932258.db2.gz HUZHTHQCMQAMCI-CJNGLKHVSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000398976040 379933437 /nfs/dbraw/zinc/93/34/37/379933437.db2.gz BMYPHHFZDGSKAF-SUNKGSAMSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000399046956 379934461 /nfs/dbraw/zinc/93/44/61/379934461.db2.gz VAHYMSXYTPWOMK-UTUOFQBUSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc2occc2c1)Cn1cc[nH+]c1 ZINC000352756360 379942050 /nfs/dbraw/zinc/94/20/50/379942050.db2.gz PLTFVWHSTLVKEQ-CYBMUJFWSA-N 2 2 269.348 3.055 20 0 CGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1F ZINC000641406509 379998885 /nfs/dbraw/zinc/99/88/85/379998885.db2.gz LYJOMJXHSMQTIA-MRXNPFEDSA-N 2 2 299.393 3.179 20 0 CGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1F ZINC000641406509 379998891 /nfs/dbraw/zinc/99/88/91/379998891.db2.gz LYJOMJXHSMQTIA-MRXNPFEDSA-N 2 2 299.393 3.179 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410325448 380086711 /nfs/dbraw/zinc/08/67/11/380086711.db2.gz IPPXKSUBYHQYHK-HZPDHXFCSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410325448 380086717 /nfs/dbraw/zinc/08/67/17/380086717.db2.gz IPPXKSUBYHQYHK-HZPDHXFCSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1ccc2[nH+]c(CNc3cc(C)cc(C)[nH+]3)cn2c1 ZINC000283985294 380113497 /nfs/dbraw/zinc/11/34/97/380113497.db2.gz PLUBPZDBARAPTR-UHFFFAOYSA-N 2 2 266.348 3.267 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000353240736 380183751 /nfs/dbraw/zinc/18/37/51/380183751.db2.gz JVVHVAXEKVTUTI-AWEZNQCLSA-N 2 2 296.374 3.079 20 0 CGADLP COc1ccc2[nH+]c(N(C)CC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000643016514 380205975 /nfs/dbraw/zinc/20/59/75/380205975.db2.gz WCEKBOZBVDLXIZ-OAHLLOKOSA-N 2 2 287.407 3.053 20 0 CGADLP CCN(CC)c1ccc(CNc2cc(C)cc[nH+]2)c[nH+]1 ZINC000268294406 190393793 /nfs/dbraw/zinc/39/37/93/190393793.db2.gz FJZLROPDRYRDBI-UHFFFAOYSA-N 2 2 270.380 3.243 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000268340561 190396390 /nfs/dbraw/zinc/39/63/90/190396390.db2.gz RVQQUZDHCOZKAB-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000353572296 380211971 /nfs/dbraw/zinc/21/19/71/380211971.db2.gz UGJXVAMUAAYGQI-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000353572296 380211980 /nfs/dbraw/zinc/21/19/80/380211980.db2.gz UGJXVAMUAAYGQI-INIZCTEOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCN(C)c2ccccc2)c[nH+]1 ZINC000353909785 380229979 /nfs/dbraw/zinc/22/99/79/380229979.db2.gz BRHXQWPOUUZRRO-UHFFFAOYSA-N 2 2 297.446 3.439 20 0 CGADLP COCc1ccccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353917008 380234502 /nfs/dbraw/zinc/23/45/02/380234502.db2.gz QIXKOOGBELVVIC-UHFFFAOYSA-N 2 2 284.403 3.259 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)[nH+]1 ZINC000353924521 380237477 /nfs/dbraw/zinc/23/74/77/380237477.db2.gz SILFDLMBEOITPB-SJORKVTESA-N 2 2 281.403 3.393 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccccc2F)c[nH+]1 ZINC000353930005 380240202 /nfs/dbraw/zinc/24/02/02/380240202.db2.gz OKBBWAGGAPRFLT-UHFFFAOYSA-N 2 2 272.367 3.294 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353929530 380241076 /nfs/dbraw/zinc/24/10/76/380241076.db2.gz MZVQGVDTNGRTLL-FUHWJXTLSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000643501143 380323304 /nfs/dbraw/zinc/32/33/04/380323304.db2.gz XGBALJHYIXHYMI-STQMWFEESA-N 2 2 298.377 3.389 20 0 CGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000354101015 380324918 /nfs/dbraw/zinc/32/49/18/380324918.db2.gz QFWCLJWLQGNPCU-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC000354101015 380324925 /nfs/dbraw/zinc/32/49/25/380324925.db2.gz QFWCLJWLQGNPCU-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000354101015 380324935 /nfs/dbraw/zinc/32/49/35/380324935.db2.gz QFWCLJWLQGNPCU-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000354101015 380324943 /nfs/dbraw/zinc/32/49/43/380324943.db2.gz QFWCLJWLQGNPCU-CQSZACIVSA-N 2 2 294.389 3.129 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502704 380326356 /nfs/dbraw/zinc/32/63/56/380326356.db2.gz OKUIGUFVCGHEJP-SUMWQHHRSA-N 2 2 283.419 3.277 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)n1-c1ccccc1 ZINC000414578519 380328184 /nfs/dbraw/zinc/32/81/84/380328184.db2.gz IDNAMIZBBGWHDP-IAGOWNOFSA-N 2 2 293.370 3.419 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCCO2 ZINC000643507041 380328248 /nfs/dbraw/zinc/32/82/48/380328248.db2.gz QQMZLABMUICACW-OAHLLOKOSA-N 2 2 294.826 3.204 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508826 380331942 /nfs/dbraw/zinc/33/19/42/380331942.db2.gz AJYDTGHTSFGGBP-WMLDXEAASA-N 2 2 284.403 3.354 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)on1 ZINC000643455020 380308244 /nfs/dbraw/zinc/30/82/44/380308244.db2.gz TXCBYYCZRJOOOM-BZUAXINKSA-N 2 2 291.439 3.198 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccn2)cc1 ZINC000643451889 380308442 /nfs/dbraw/zinc/30/84/42/380308442.db2.gz QRGMPLMBRWWCQS-AEFFLSMTSA-N 2 2 299.393 3.042 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000414686439 380373344 /nfs/dbraw/zinc/37/33/44/380373344.db2.gz ASCIAQRUDJEVOI-AWEZNQCLSA-N 2 2 264.388 3.003 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000414686439 380373347 /nfs/dbraw/zinc/37/33/47/380373347.db2.gz ASCIAQRUDJEVOI-AWEZNQCLSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cccnc2)c[nH+]1 ZINC000354162741 380349961 /nfs/dbraw/zinc/34/99/61/380349961.db2.gz KMBPJRXRFPIQGC-AWEZNQCLSA-N 2 2 255.365 3.068 20 0 CGADLP CCSc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000414653308 380352785 /nfs/dbraw/zinc/35/27/85/380352785.db2.gz HWADSICATAZTSK-CQSZACIVSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000414653308 380352788 /nfs/dbraw/zinc/35/27/88/380352788.db2.gz HWADSICATAZTSK-CQSZACIVSA-N 2 2 264.438 3.112 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000643538913 380355615 /nfs/dbraw/zinc/35/56/15/380355615.db2.gz ZYLNUWLHBZIBRE-PGUXBMHVSA-N 2 2 282.790 3.007 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000643538905 380355862 /nfs/dbraw/zinc/35/58/62/380355862.db2.gz ZTHIBCWZWXLWJV-BVUBDWEXSA-N 2 2 296.817 3.266 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc2c1 ZINC000643538438 380356261 /nfs/dbraw/zinc/35/62/61/380356261.db2.gz KKAHCYLTMDZFRQ-XBFCOCLRSA-N 2 2 276.355 3.092 20 0 CGADLP c1ccc(C2CCC(C[N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000414662688 380359207 /nfs/dbraw/zinc/35/92/07/380359207.db2.gz ZRNRVJWATABGGR-UHFFFAOYSA-N 2 2 272.436 3.256 20 0 CGADLP c1ccc(C2CCC(C[N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000414662688 380359213 /nfs/dbraw/zinc/35/92/13/380359213.db2.gz ZRNRVJWATABGGR-UHFFFAOYSA-N 2 2 272.436 3.256 20 0 CGADLP COc1cc(CC[NH2+]CCCc2ccc(C)[nH+]c2)ccc1C ZINC000354416059 380430163 /nfs/dbraw/zinc/43/01/63/380430163.db2.gz OCXAXFBQMNSQSG-UHFFFAOYSA-N 2 2 298.430 3.472 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccccc1 ZINC000414834394 380442809 /nfs/dbraw/zinc/44/28/09/380442809.db2.gz QQURUVBQSIGRDZ-IAGOWNOFSA-N 2 2 286.806 3.097 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414837258 380443877 /nfs/dbraw/zinc/44/38/77/380443877.db2.gz JIXBAVLXCSOABB-CYBMUJFWSA-N 2 2 281.469 3.264 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414838399 380445597 /nfs/dbraw/zinc/44/55/97/380445597.db2.gz KRQOLFATUYVGRJ-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414839563 380445738 /nfs/dbraw/zinc/44/57/38/380445738.db2.gz LMJMYMVDQMQSLD-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2F)CCCCC1 ZINC000414839792 380445883 /nfs/dbraw/zinc/44/58/83/380445883.db2.gz JMQLAXKRMODKRV-UHFFFAOYSA-N 2 2 270.779 3.230 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414842761 380447241 /nfs/dbraw/zinc/44/72/41/380447241.db2.gz ZCXVYDGKCXRIPV-QAPCUYQASA-N 2 2 268.404 3.216 20 0 CGADLP CC[C@@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000644564483 380451218 /nfs/dbraw/zinc/45/12/18/380451218.db2.gz YSCOJVILSMWMGQ-NVXWUHKLSA-N 2 2 290.451 3.011 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000414849898 380451349 /nfs/dbraw/zinc/45/13/49/380451349.db2.gz YDSUOHPUJFXXQS-UHFFFAOYSA-N 2 2 281.469 3.093 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)nc1 ZINC000414850076 380453703 /nfs/dbraw/zinc/45/37/03/380453703.db2.gz SBDBXRYTEQTGGT-GOSISDBHSA-N 2 2 283.419 3.303 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414852704 380455283 /nfs/dbraw/zinc/45/52/83/380455283.db2.gz RHCLRFYXLSFHPI-LLVKDONJSA-N 2 2 292.320 3.308 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414787382 380404739 /nfs/dbraw/zinc/40/47/39/380404739.db2.gz CGOVIZVBGFIRSK-LBPRGKRZSA-N 2 2 261.196 3.066 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+]C[C@H]([NH3+])C(C)C)cs2)cc1 ZINC000414790300 380406765 /nfs/dbraw/zinc/40/67/65/380406765.db2.gz GJKKDMDOVPTVCF-HNNXBMFYSA-N 2 2 289.448 3.191 20 0 CGADLP COc1ccsc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414805044 380418759 /nfs/dbraw/zinc/41/87/59/380418759.db2.gz LKQMIJQZQRKVNG-UHFFFAOYSA-N 2 2 282.453 3.159 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1F ZINC000414808284 380420239 /nfs/dbraw/zinc/42/02/39/380420239.db2.gz FAUGUDDMJVQUCG-GFCCVEGCSA-N 2 2 258.768 3.086 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@](CO)(C(C)C)C2)c[nH+]1 ZINC000354564260 380487427 /nfs/dbraw/zinc/48/74/27/380487427.db2.gz KGWLUWAKFWUNBI-SFHVURJKSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)c[nH+]1 ZINC000354564260 380487432 /nfs/dbraw/zinc/48/74/32/380487432.db2.gz KGWLUWAKFWUNBI-SFHVURJKSA-N 2 2 290.451 3.053 20 0 CGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414919840 380490007 /nfs/dbraw/zinc/49/00/07/380490007.db2.gz VRKFUFOUNQKGPS-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)s1 ZINC000354585372 380494819 /nfs/dbraw/zinc/49/48/19/380494819.db2.gz XYBNRPPEPVQSSQ-KBPBESRZSA-N 2 2 293.480 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)s1 ZINC000354585372 380494823 /nfs/dbraw/zinc/49/48/23/380494823.db2.gz XYBNRPPEPVQSSQ-KBPBESRZSA-N 2 2 293.480 3.215 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc2ccccc2c1 ZINC000414940831 380497935 /nfs/dbraw/zinc/49/79/35/380497935.db2.gz KOSDFFRCFKJXJQ-SUMWQHHRSA-N 2 2 286.444 3.182 20 0 CGADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414942651 380499766 /nfs/dbraw/zinc/49/97/66/380499766.db2.gz BWZDSLLSSRKYTC-SFHVURJKSA-N 2 2 284.378 3.111 20 0 CGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000415079252 380506760 /nfs/dbraw/zinc/50/67/60/380506760.db2.gz HUMHPUHRFVCAHX-SZMVWBNQSA-N 2 2 294.398 3.203 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268812540 190436151 /nfs/dbraw/zinc/43/61/51/190436151.db2.gz LHKQFXJJRASRAE-RRFJBIMHSA-N 2 2 287.407 3.062 20 0 CGADLP C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000354686851 380527107 /nfs/dbraw/zinc/52/71/07/380527107.db2.gz QXMYUTZDTDQZBC-JKSUJKDBSA-N 2 2 293.455 3.361 20 0 CGADLP C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000354686851 380527114 /nfs/dbraw/zinc/52/71/14/380527114.db2.gz QXMYUTZDTDQZBC-JKSUJKDBSA-N 2 2 293.455 3.361 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cn1 ZINC000355120488 380583042 /nfs/dbraw/zinc/58/30/42/380583042.db2.gz JYZMQRDGPVJLCE-UHFFFAOYSA-N 2 2 289.467 3.034 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@H+]2CCCC(C)(C)C2)cn1 ZINC000355120488 380583048 /nfs/dbraw/zinc/58/30/48/380583048.db2.gz JYZMQRDGPVJLCE-UHFFFAOYSA-N 2 2 289.467 3.034 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC000417314109 380590889 /nfs/dbraw/zinc/59/08/89/380590889.db2.gz QPOHWBYOQMHBSQ-RJZRQDKASA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC000417314109 380590896 /nfs/dbraw/zinc/59/08/96/380590896.db2.gz QPOHWBYOQMHBSQ-RJZRQDKASA-N 2 2 278.465 3.312 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CO)CC2CCCCC2)c[nH+]1 ZINC000418129794 380709114 /nfs/dbraw/zinc/70/91/14/380709114.db2.gz SYBRRWMWQKZUSQ-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP c1cn2c(cccc2C[N@H+](CC2CC2)CC2CCC2)[nH+]1 ZINC000355733242 380762471 /nfs/dbraw/zinc/76/24/71/380762471.db2.gz QBJFBLUNBLPCDG-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@@H+](CC2CC2)CC2CCC2)[nH+]1 ZINC000355733242 380762477 /nfs/dbraw/zinc/76/24/77/380762477.db2.gz QBJFBLUNBLPCDG-UHFFFAOYSA-N 2 2 269.392 3.346 20 0 CGADLP CC(C)[NH+](CCN(C)c1[nH]c2ccccc2[nH+]1)C(C)C ZINC000355570449 380713844 /nfs/dbraw/zinc/71/38/44/380713844.db2.gz BYVBZNJEYKJESS-UHFFFAOYSA-N 2 2 274.412 3.118 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355584817 380718904 /nfs/dbraw/zinc/71/89/04/380718904.db2.gz OVJFQQNRAGNWJS-CHWSQXEVSA-N 2 2 275.421 3.460 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355584821 380719105 /nfs/dbraw/zinc/71/91/05/380719105.db2.gz OVJFQQNRAGNWJS-STQMWFEESA-N 2 2 275.421 3.460 20 0 CGADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000355607533 380725762 /nfs/dbraw/zinc/72/57/62/380725762.db2.gz MUALULZGKZIQBD-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000645852090 380752102 /nfs/dbraw/zinc/75/21/02/380752102.db2.gz JAINDRGFXJDNOS-HZPDHXFCSA-N 2 2 299.418 3.340 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419332002 380805214 /nfs/dbraw/zinc/80/52/14/380805214.db2.gz JSNGPENJUUWMPW-GJZGRUSLSA-N 2 2 263.429 3.109 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419332002 380805220 /nfs/dbraw/zinc/80/52/20/380805220.db2.gz JSNGPENJUUWMPW-GJZGRUSLSA-N 2 2 263.429 3.109 20 0 CGADLP CC[C@H](CSC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356901861 380929809 /nfs/dbraw/zinc/92/98/09/380929809.db2.gz QDQGCMJYYIYYGU-LLVKDONJSA-N 2 2 298.418 3.134 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339151 380882234 /nfs/dbraw/zinc/88/22/34/380882234.db2.gz FPWZFANYDVUXFX-SCLBCKFNSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339151 380882248 /nfs/dbraw/zinc/88/22/48/380882248.db2.gz FPWZFANYDVUXFX-SCLBCKFNSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCOC1 ZINC000356852970 380901416 /nfs/dbraw/zinc/90/14/16/380901416.db2.gz RVWYLNGOIGWSIY-UXLLHSPISA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356852973 380901954 /nfs/dbraw/zinc/90/19/54/380901954.db2.gz RVWYLNGOIGWSIY-YQQAZPJKSA-N 2 2 299.418 3.338 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357144981 381042360 /nfs/dbraw/zinc/04/23/60/381042360.db2.gz KHJZTBSBBSLOKX-NEPJUHHUSA-N 2 2 290.794 3.128 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357144981 381042365 /nfs/dbraw/zinc/04/23/65/381042365.db2.gz KHJZTBSBBSLOKX-NEPJUHHUSA-N 2 2 290.794 3.128 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)s1 ZINC000358297282 381301945 /nfs/dbraw/zinc/30/19/45/381301945.db2.gz GZLZIFCUNIRJRE-RSAASHCRSA-N 2 2 278.465 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)s1 ZINC000358297282 381301949 /nfs/dbraw/zinc/30/19/49/381301949.db2.gz GZLZIFCUNIRJRE-RSAASHCRSA-N 2 2 278.465 3.498 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361487367 381770482 /nfs/dbraw/zinc/77/04/82/381770482.db2.gz VFDNZAFCSVWZCZ-MRXNPFEDSA-N 2 2 287.407 3.023 20 0 CGADLP COC1(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557557 381801525 /nfs/dbraw/zinc/80/15/25/381801525.db2.gz RKPUONWGCSHGTG-JKSUJKDBSA-N 2 2 291.439 3.115 20 0 CGADLP COC1(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000361557557 381801530 /nfs/dbraw/zinc/80/15/30/381801530.db2.gz RKPUONWGCSHGTG-JKSUJKDBSA-N 2 2 291.439 3.115 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccsc2Cl)C1 ZINC000361571955 381813880 /nfs/dbraw/zinc/81/38/80/381813880.db2.gz PKEBXMQGKKEXFD-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccsc2Cl)C1 ZINC000361571955 381813885 /nfs/dbraw/zinc/81/38/85/381813885.db2.gz PKEBXMQGKKEXFD-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361571955 381813887 /nfs/dbraw/zinc/81/38/87/381813887.db2.gz PKEBXMQGKKEXFD-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361571955 381813893 /nfs/dbraw/zinc/81/38/93/381813893.db2.gz PKEBXMQGKKEXFD-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000362913137 382144862 /nfs/dbraw/zinc/14/48/62/382144862.db2.gz LHLKGXPXCRYIPJ-CABCVRRESA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000362913137 382144869 /nfs/dbraw/zinc/14/48/69/382144869.db2.gz LHLKGXPXCRYIPJ-CABCVRRESA-N 2 2 264.457 3.419 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000362922620 382148451 /nfs/dbraw/zinc/14/84/51/382148451.db2.gz FHSIGMJLLNLJNO-SFHVURJKSA-N 2 2 286.463 3.472 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000236795770 542315811 /nfs/dbraw/zinc/31/58/11/542315811.db2.gz LPODAFWGRBVMKF-UHFFFAOYSA-N 2 2 299.418 3.306 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000235524216 542312256 /nfs/dbraw/zinc/31/22/56/542312256.db2.gz HWAFNRIPZZNPOO-AAEUAGOBSA-N 2 2 284.350 3.081 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1CCCC1)CCC2 ZINC000366207489 382304300 /nfs/dbraw/zinc/30/43/00/382304300.db2.gz BTMFBDDCCUIOII-HIFRSBDPSA-N 2 2 261.413 3.237 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C(C3CCC3)C3CCC3)cn2)c[nH+]1 ZINC000367128119 382334393 /nfs/dbraw/zinc/33/43/93/382334393.db2.gz XFDSNDHSWWUWJV-UHFFFAOYSA-N 2 2 296.418 3.326 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000250734860 542344148 /nfs/dbraw/zinc/34/41/48/542344148.db2.gz GTBFAVWFIQNJSP-IUODEOHRSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000250734860 542344152 /nfs/dbraw/zinc/34/41/52/542344152.db2.gz GTBFAVWFIQNJSP-IUODEOHRSA-N 2 2 298.352 3.068 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412921 542350038 /nfs/dbraw/zinc/35/00/38/542350038.db2.gz BFXFNQGXFZORDL-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000252412921 542350042 /nfs/dbraw/zinc/35/00/42/542350042.db2.gz BFXFNQGXFZORDL-DZGCQCFKSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(Cl)c1 ZINC000335275006 208080251 /nfs/dbraw/zinc/08/02/51/208080251.db2.gz JJTOYPYTXGTFTJ-KOLCDFICSA-N 2 2 281.812 3.264 20 0 CGADLP CSc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358032435 533038850 /nfs/dbraw/zinc/03/88/50/533038850.db2.gz JHBCNQUOEGNLNR-ZFWWWQNUSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358032435 533038857 /nfs/dbraw/zinc/03/88/57/533038857.db2.gz JHBCNQUOEGNLNR-ZFWWWQNUSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358032435 533038859 /nfs/dbraw/zinc/03/88/59/533038859.db2.gz JHBCNQUOEGNLNR-ZFWWWQNUSA-N 2 2 278.465 3.323 20 0 CGADLP CSc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358032435 533038866 /nfs/dbraw/zinc/03/88/66/533038866.db2.gz JHBCNQUOEGNLNR-ZFWWWQNUSA-N 2 2 278.465 3.323 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000285663606 542389257 /nfs/dbraw/zinc/38/92/57/542389257.db2.gz MZVVOSIACMPYDJ-HOCLYGCPSA-N 2 2 286.423 3.143 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000285731314 542389526 /nfs/dbraw/zinc/38/95/26/542389526.db2.gz PVXXTLXAXJSJBN-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000285731314 542389528 /nfs/dbraw/zinc/38/95/28/542389528.db2.gz PVXXTLXAXJSJBN-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc2)cc1 ZINC000423314101 533132402 /nfs/dbraw/zinc/13/24/02/533132402.db2.gz GOHATIYTZZXGIP-MOPGFXCFSA-N 2 2 296.414 3.112 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449170681 533173469 /nfs/dbraw/zinc/17/34/69/533173469.db2.gz IZFDMWRCQTZUGC-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449170681 533173474 /nfs/dbraw/zinc/17/34/74/533173474.db2.gz IZFDMWRCQTZUGC-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300307823 542411759 /nfs/dbraw/zinc/41/17/59/542411759.db2.gz GLUUUCVLFPANCN-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300307823 542411762 /nfs/dbraw/zinc/41/17/62/542411762.db2.gz GLUUUCVLFPANCN-XHSDSOJGSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000309738806 542426157 /nfs/dbraw/zinc/42/61/57/542426157.db2.gz PHCDYTOTHRLKSJ-YJBOKZPZSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000309738806 542426158 /nfs/dbraw/zinc/42/61/58/542426158.db2.gz PHCDYTOTHRLKSJ-YJBOKZPZSA-N 2 2 296.414 3.145 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000423280100 533195872 /nfs/dbraw/zinc/19/58/72/533195872.db2.gz SXCFFVHPAOJZMX-RTBURBONSA-N 2 2 298.430 3.358 20 0 CGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCn1cc[nH+]c1 ZINC000281355068 195208121 /nfs/dbraw/zinc/20/81/21/195208121.db2.gz VSTLVOVSZDGBDO-LBPRGKRZSA-N 2 2 297.324 3.123 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348421154 542519719 /nfs/dbraw/zinc/51/97/19/542519719.db2.gz UOQGQGUPULODNE-NIKGAXFTSA-N 2 2 299.462 3.385 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000352467176 542553352 /nfs/dbraw/zinc/55/33/52/542553352.db2.gz XHQPEJHYYNADDG-UHFFFAOYSA-N 2 2 299.349 3.417 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459366525 535474096 /nfs/dbraw/zinc/47/40/96/535474096.db2.gz KZVLPNJJBWRTTJ-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414114369 533451827 /nfs/dbraw/zinc/45/18/27/533451827.db2.gz LNUJHSGNTPNXGP-IOASZLSFSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423319062 533412130 /nfs/dbraw/zinc/41/21/30/533412130.db2.gz LNUCKSGVXIOQIK-NOZJJQNGSA-N 2 2 278.783 3.474 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000423234142 533419283 /nfs/dbraw/zinc/41/92/83/533419283.db2.gz LBEPLSFXQDBNPT-DYVFJYSZSA-N 2 2 254.377 3.242 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)c2ccccc21 ZINC000423239908 533419487 /nfs/dbraw/zinc/41/94/87/533419487.db2.gz SVTPHOXZQDTCOY-OLZOCXBDSA-N 2 2 272.367 3.382 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1csnn1 ZINC000436471858 533504048 /nfs/dbraw/zinc/50/40/48/533504048.db2.gz WKXAEWMNZBCPJP-NWDGAFQWSA-N 2 2 299.403 3.136 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccn(C)n1 ZINC000414120361 533504435 /nfs/dbraw/zinc/50/44/35/533504435.db2.gz XNEFUGIZXSFDMM-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)[C@H](C)[NH3+] ZINC000423459849 533508076 /nfs/dbraw/zinc/50/80/76/533508076.db2.gz ILTHUBUOTCFLPQ-TUAOUCFPSA-N 2 2 275.421 3.196 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423285212 533511469 /nfs/dbraw/zinc/51/14/69/533511469.db2.gz YAPANCYZUNXUME-OQPBUACISA-N 2 2 273.207 3.381 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000449037874 533623308 /nfs/dbraw/zinc/62/33/08/533623308.db2.gz PTSOOWSJQFTNNS-OAHLLOKOSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000449037874 533623317 /nfs/dbraw/zinc/62/33/17/533623317.db2.gz PTSOOWSJQFTNNS-OAHLLOKOSA-N 2 2 274.389 3.105 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389174637 542607477 /nfs/dbraw/zinc/60/74/77/542607477.db2.gz OQTOILUYPRAVMD-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000389174637 542607481 /nfs/dbraw/zinc/60/74/81/542607481.db2.gz OQTOILUYPRAVMD-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000394778824 542614721 /nfs/dbraw/zinc/61/47/21/542614721.db2.gz PXCBMGDDVXARHI-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cl ZINC000063191463 392136000 /nfs/dbraw/zinc/13/60/00/392136000.db2.gz YCZQOLOUHBVVAF-RISCZKNCSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000063191463 392136003 /nfs/dbraw/zinc/13/60/03/392136003.db2.gz YCZQOLOUHBVVAF-RISCZKNCSA-N 2 2 252.789 3.042 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000108367975 392340724 /nfs/dbraw/zinc/34/07/24/392340724.db2.gz RMHVJMFHUZMROT-ZDUSSCGKSA-N 2 2 264.388 3.349 20 0 CGADLP CO[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@@H]1C ZINC000361843184 392341864 /nfs/dbraw/zinc/34/18/64/392341864.db2.gz PAKKOFSCJTVYQL-KSSFIOAISA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@@H]1C ZINC000361843184 392341870 /nfs/dbraw/zinc/34/18/70/392341870.db2.gz PAKKOFSCJTVYQL-KSSFIOAISA-N 2 2 299.418 3.038 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000361861781 392347304 /nfs/dbraw/zinc/34/73/04/392347304.db2.gz HEAOFPPTMRQZQD-MRXNPFEDSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000361861781 392347306 /nfs/dbraw/zinc/34/73/06/392347306.db2.gz HEAOFPPTMRQZQD-MRXNPFEDSA-N 2 2 273.355 3.115 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000361795444 392323362 /nfs/dbraw/zinc/32/33/62/392323362.db2.gz CZQFQJKFSGMAFZ-HFTRVMKXSA-N 2 2 299.418 3.338 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000361922224 392362143 /nfs/dbraw/zinc/36/21/43/392362143.db2.gz HNWRDOGECBKQJT-XUWXXGDYSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000361922224 392362150 /nfs/dbraw/zinc/36/21/50/392362150.db2.gz HNWRDOGECBKQJT-XUWXXGDYSA-N 2 2 288.435 3.361 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367067438 392467280 /nfs/dbraw/zinc/46/72/80/392467280.db2.gz RSTKHTCMCLDAAQ-WBVHZDCISA-N 2 2 275.440 3.039 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000365052120 392442268 /nfs/dbraw/zinc/44/22/68/392442268.db2.gz GHMZPUFBNIVCNO-FGTMMUONSA-N 2 2 294.483 3.047 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000290489789 392447473 /nfs/dbraw/zinc/44/74/73/392447473.db2.gz VUUCODJMAUKPMP-DLBZAZTESA-N 2 2 290.451 3.052 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000290489789 392447475 /nfs/dbraw/zinc/44/74/75/392447475.db2.gz VUUCODJMAUKPMP-DLBZAZTESA-N 2 2 290.451 3.052 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000151925323 392489929 /nfs/dbraw/zinc/48/99/29/392489929.db2.gz UVKYHNZRMBFDQI-GFCCVEGCSA-N 2 2 284.831 3.341 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000158911749 392579530 /nfs/dbraw/zinc/57/95/30/392579530.db2.gz QLXMVDVZOXWQMV-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000158911749 392579535 /nfs/dbraw/zinc/57/95/35/392579535.db2.gz QLXMVDVZOXWQMV-MFKMUULPSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000300413289 392582833 /nfs/dbraw/zinc/58/28/33/392582833.db2.gz ZVKFZSNHTNMZEJ-KBXIAJHMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000300413289 392582836 /nfs/dbraw/zinc/58/28/36/392582836.db2.gz ZVKFZSNHTNMZEJ-KBXIAJHMSA-N 2 2 250.430 3.028 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000647284210 392634620 /nfs/dbraw/zinc/63/46/20/392634620.db2.gz HPDPSFXTGVXCLQ-PBHICJAKSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000647284210 392634623 /nfs/dbraw/zinc/63/46/23/392634623.db2.gz HPDPSFXTGVXCLQ-PBHICJAKSA-N 2 2 290.476 3.470 20 0 CGADLP CC(C)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccncc1 ZINC000647303058 392651823 /nfs/dbraw/zinc/65/18/23/392651823.db2.gz HQQPDIUSCOAREA-QGZVFWFLSA-N 2 2 298.434 3.491 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000647304521 392653152 /nfs/dbraw/zinc/65/31/52/392653152.db2.gz RAAJBKORGCLVPN-ZBFHGGJFSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000647304521 392653156 /nfs/dbraw/zinc/65/31/56/392653156.db2.gz RAAJBKORGCLVPN-ZBFHGGJFSA-N 2 2 284.407 3.039 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554116 392767430 /nfs/dbraw/zinc/76/74/30/392767430.db2.gz RHKHGDVEWVTYAZ-HNNXBMFYSA-N 2 2 278.827 3.413 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccs1 ZINC000375268839 392757116 /nfs/dbraw/zinc/75/71/16/392757116.db2.gz WMMLISYKDXRWPC-NSHDSACASA-N 2 2 261.394 3.132 20 0 CGADLP Cc1ccc(C2([NH2+]CC[NH2+]C(C)(C)C)CCC2)cc1 ZINC000647553137 392765716 /nfs/dbraw/zinc/76/57/16/392765716.db2.gz BSQNEUOALOIGJJ-UHFFFAOYSA-N 2 2 260.425 3.352 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CC3CCC3)cn21 ZINC000647363515 392708432 /nfs/dbraw/zinc/70/84/32/392708432.db2.gz CCRNIOAEDAYLBX-CYBMUJFWSA-N 2 2 271.408 3.354 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCSCC1 ZINC000186927617 392786327 /nfs/dbraw/zinc/78/63/27/392786327.db2.gz IGEZACNTAXMQDY-WMLDXEAASA-N 2 2 292.492 3.411 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(C)CC1)CCC2 ZINC000335474186 392795103 /nfs/dbraw/zinc/79/51/03/392795103.db2.gz CMXYHJKBKHVIJV-BLZCZZARSA-N 2 2 261.413 3.237 20 0 CGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000510750319 392813193 /nfs/dbraw/zinc/81/31/93/392813193.db2.gz JZLWHABSUKZYTD-HZPDHXFCSA-N 2 2 270.436 3.370 20 0 CGADLP Cc1ccn2cc(CNc3[nH+]ccc4[nH]ccc43)[nH+]c2c1 ZINC000647858416 392816630 /nfs/dbraw/zinc/81/66/30/392816630.db2.gz RJJNWINVIPDPGS-UHFFFAOYSA-N 2 2 277.331 3.131 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000375818200 392824823 /nfs/dbraw/zinc/82/48/23/392824823.db2.gz WBENPXDHQCZCER-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000375818200 392824829 /nfs/dbraw/zinc/82/48/29/392824829.db2.gz WBENPXDHQCZCER-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP Cc1ccc(-c2cc(C[NH+]3CCC([NH+](C)C)CC3)on2)cc1 ZINC000193813297 392886319 /nfs/dbraw/zinc/88/63/19/392886319.db2.gz DMGWGGDDXRSZCA-UHFFFAOYSA-N 2 2 299.418 3.176 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c[nH+]1 ZINC000648068006 392899781 /nfs/dbraw/zinc/89/97/81/392899781.db2.gz VFLCEMQEORIOQU-IYBDPMFKSA-N 2 2 276.424 3.258 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC3(C[C@@H]2C)CCOCC3)c[nH+]1 ZINC000648070698 392901682 /nfs/dbraw/zinc/90/16/82/392901682.db2.gz GVCGRMFYCXWILP-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c[nH+]1 ZINC000648070698 392901688 /nfs/dbraw/zinc/90/16/88/392901688.db2.gz GVCGRMFYCXWILP-INIZCTEOSA-N 2 2 288.435 3.214 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381608939 392911583 /nfs/dbraw/zinc/91/15/83/392911583.db2.gz IBNYZMUKPZNGRU-HPDBWDTBSA-N 2 2 264.457 3.275 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC3CCC2CC3)C1 ZINC000381608939 392911590 /nfs/dbraw/zinc/91/15/90/392911590.db2.gz IBNYZMUKPZNGRU-HPDBWDTBSA-N 2 2 264.457 3.275 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC(c3ccccn3)CC2)[nH+]1 ZINC000376151385 392868865 /nfs/dbraw/zinc/86/88/65/392868865.db2.gz OGOJKBMFQYAXTG-UHFFFAOYSA-N 2 2 292.386 3.109 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C[N@@H+]1C1CC1 ZINC000390541273 392926336 /nfs/dbraw/zinc/92/63/36/392926336.db2.gz HIQLXZRROSMSSP-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C[N@H+]1C1CC1 ZINC000390541273 392926341 /nfs/dbraw/zinc/92/63/41/392926341.db2.gz HIQLXZRROSMSSP-UPJWGTAASA-N 2 2 272.383 3.027 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000514082821 542734179 /nfs/dbraw/zinc/73/41/79/542734179.db2.gz ISSAUZZYMXEGIU-CVEARBPZSA-N 2 2 296.524 3.372 20 0 CGADLP CCCC[C@H](CC)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000534884298 542750034 /nfs/dbraw/zinc/75/00/34/542750034.db2.gz SHVUBDLRGAHUNI-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000460952567 392962531 /nfs/dbraw/zinc/96/25/31/392962531.db2.gz PTYAJSDZLAQPLC-QAPCUYQASA-N 2 2 295.430 3.382 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[nH+]c2c1 ZINC000460952567 392962536 /nfs/dbraw/zinc/96/25/36/392962536.db2.gz PTYAJSDZLAQPLC-QAPCUYQASA-N 2 2 295.430 3.382 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450152 393023278 /nfs/dbraw/zinc/02/32/78/393023278.db2.gz ZVIZNIYECVZAGI-PXAZEXFGSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450152 393023286 /nfs/dbraw/zinc/02/32/86/393023286.db2.gz ZVIZNIYECVZAGI-PXAZEXFGSA-N 2 2 294.389 3.142 20 0 CGADLP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC000648450035 393023743 /nfs/dbraw/zinc/02/37/43/393023743.db2.gz MSEISVLUJGROMY-OALUTQOASA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000648450035 393023746 /nfs/dbraw/zinc/02/37/46/393023746.db2.gz MSEISVLUJGROMY-OALUTQOASA-N 2 2 284.447 3.008 20 0 CGADLP Fc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415042121 393108370 /nfs/dbraw/zinc/10/83/70/393108370.db2.gz MDINIMYDEAYIBE-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Cl ZINC000415042121 393108378 /nfs/dbraw/zinc/10/83/78/393108378.db2.gz MDINIMYDEAYIBE-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467376501 393095719 /nfs/dbraw/zinc/09/57/19/393095719.db2.gz KGNRNXOZJWEPDA-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467376501 393095723 /nfs/dbraw/zinc/09/57/23/393095723.db2.gz KGNRNXOZJWEPDA-LBPRGKRZSA-N 2 2 288.357 3.178 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415014944 393096486 /nfs/dbraw/zinc/09/64/86/393096486.db2.gz MMXMMFBAIWMKJN-JGVFFNPUSA-N 2 2 280.721 3.184 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415034201 393104310 /nfs/dbraw/zinc/10/43/10/393104310.db2.gz CILJYXWVBAUJAD-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000415034201 393104315 /nfs/dbraw/zinc/10/43/15/393104315.db2.gz CILJYXWVBAUJAD-HIFRSBDPSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)CC[NH2+]1 ZINC000414953467 393061361 /nfs/dbraw/zinc/06/13/61/393061361.db2.gz RSQMBCCSGNDRIY-TZMCWYRMSA-N 2 2 287.432 3.040 20 0 CGADLP CCCC1CCC(C[NH2+][C@H](CC[NH3+])C(F)F)CC1 ZINC000414988524 393081300 /nfs/dbraw/zinc/08/13/00/393081300.db2.gz KYNIPERELBWKRF-WXRRBKDZSA-N 2 2 262.388 3.165 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000348434946 393125687 /nfs/dbraw/zinc/12/56/87/393125687.db2.gz WMUGTSQRPGMQCL-HIFRSBDPSA-N 2 2 266.816 3.127 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC000415065994 393126193 /nfs/dbraw/zinc/12/61/93/393126193.db2.gz IGSKRPRVHPJQAS-NSHDSACASA-N 2 2 273.207 3.225 20 0 CGADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1c(F)cccc1Cl ZINC000415083709 393136489 /nfs/dbraw/zinc/13/64/89/393136489.db2.gz NMHQBLVUIBKCSX-QWRGUYRKSA-N 2 2 270.779 3.099 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415087278 393138947 /nfs/dbraw/zinc/13/89/47/393138947.db2.gz SQUASMWHSBBHOK-ZBFHGGJFSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032486 393219447 /nfs/dbraw/zinc/21/94/47/393219447.db2.gz UQKAXVFPAQOOKK-FTGAXOIBSA-N 2 2 298.352 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032486 393219452 /nfs/dbraw/zinc/21/94/52/393219452.db2.gz UQKAXVFPAQOOKK-FTGAXOIBSA-N 2 2 298.352 3.237 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)o1 ZINC000353593653 393227092 /nfs/dbraw/zinc/22/70/92/393227092.db2.gz DIAKLUKTSMFSIH-SUMWQHHRSA-N 2 2 285.391 3.299 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CCC2)o1 ZINC000353593653 393227099 /nfs/dbraw/zinc/22/70/99/393227099.db2.gz DIAKLUKTSMFSIH-SUMWQHHRSA-N 2 2 285.391 3.299 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000268763508 393202708 /nfs/dbraw/zinc/20/27/08/393202708.db2.gz MMNUIABOUMEXBK-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000268763508 393202715 /nfs/dbraw/zinc/20/27/15/393202715.db2.gz MMNUIABOUMEXBK-GFCCVEGCSA-N 2 2 269.820 3.116 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750959 393203015 /nfs/dbraw/zinc/20/30/15/393203015.db2.gz XNOSSWOZAVDYBQ-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750959 393203020 /nfs/dbraw/zinc/20/30/20/393203020.db2.gz XNOSSWOZAVDYBQ-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750961 393203138 /nfs/dbraw/zinc/20/31/38/393203138.db2.gz XNOSSWOZAVDYBQ-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750961 393203140 /nfs/dbraw/zinc/20/31/40/393203140.db2.gz XNOSSWOZAVDYBQ-MAUKXSAKSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750963 393203167 /nfs/dbraw/zinc/20/31/67/393203167.db2.gz XNOSSWOZAVDYBQ-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000268750963 393203169 /nfs/dbraw/zinc/20/31/69/393203169.db2.gz XNOSSWOZAVDYBQ-QAPCUYQASA-N 2 2 298.434 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000471595649 393285439 /nfs/dbraw/zinc/28/54/39/393285439.db2.gz UQRGZZQWHNFUNC-RRQGHBQHSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516066 393294017 /nfs/dbraw/zinc/29/40/17/393294017.db2.gz DLGCJXJAZSZJKP-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Cl ZINC000275516066 393294023 /nfs/dbraw/zinc/29/40/23/393294023.db2.gz DLGCJXJAZSZJKP-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1Cl ZINC000275516066 393294028 /nfs/dbraw/zinc/29/40/28/393294028.db2.gz DLGCJXJAZSZJKP-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000275516066 393294031 /nfs/dbraw/zinc/29/40/31/393294031.db2.gz DLGCJXJAZSZJKP-IAQYHMDHSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000278886403 393327648 /nfs/dbraw/zinc/32/76/48/393327648.db2.gz YGXJCSLWITXVQK-JEBQAFNWSA-N 2 2 285.435 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000278886403 393327657 /nfs/dbraw/zinc/32/76/57/393327657.db2.gz YGXJCSLWITXVQK-JEBQAFNWSA-N 2 2 285.435 3.006 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272349266 393260724 /nfs/dbraw/zinc/26/07/24/393260724.db2.gz XXKAMYKEUZMTMW-WBVHZDCISA-N 2 2 281.403 3.404 20 0 CGADLP C[C@@H](Nc1cccc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272349266 393260731 /nfs/dbraw/zinc/26/07/31/393260731.db2.gz XXKAMYKEUZMTMW-WBVHZDCISA-N 2 2 281.403 3.404 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCC(C)(C)C1 ZINC000355579578 393331251 /nfs/dbraw/zinc/33/12/51/393331251.db2.gz HMANORSGKIJBTO-CYBMUJFWSA-N 2 2 257.381 3.345 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCC(C)(C)C1 ZINC000355579578 393331257 /nfs/dbraw/zinc/33/12/57/393331257.db2.gz HMANORSGKIJBTO-CYBMUJFWSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cscc1C(F)(F)F ZINC000356180291 393370200 /nfs/dbraw/zinc/37/02/00/393370200.db2.gz ZOBMSBPYKLQLBX-VIFPVBQESA-N 2 2 289.326 3.142 20 0 CGADLP CCCCc1nc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cs1 ZINC000649417146 393417335 /nfs/dbraw/zinc/41/73/35/393417335.db2.gz YXXPWKGDSFIGDS-TZMCWYRMSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cs1 ZINC000649417146 393417339 /nfs/dbraw/zinc/41/73/39/393417339.db2.gz YXXPWKGDSFIGDS-TZMCWYRMSA-N 2 2 281.469 3.045 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000356345669 393423941 /nfs/dbraw/zinc/42/39/41/393423941.db2.gz YOAWQJGONKOYRP-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000356345669 393423946 /nfs/dbraw/zinc/42/39/46/393423946.db2.gz YOAWQJGONKOYRP-CGTJXYLNSA-N 2 2 290.451 3.054 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000356350010 393425404 /nfs/dbraw/zinc/42/54/04/393425404.db2.gz XDOFTKJWZNGXLS-IMJJTQAJSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000356350010 393425409 /nfs/dbraw/zinc/42/54/09/393425409.db2.gz XDOFTKJWZNGXLS-IMJJTQAJSA-N 2 2 273.424 3.202 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000420275867 393447259 /nfs/dbraw/zinc/44/72/59/393447259.db2.gz HECSWKCVEHDYFT-SMDDNHRTSA-N 2 2 273.355 3.303 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357589 393471905 /nfs/dbraw/zinc/47/19/05/393471905.db2.gz DNIXJWUDQWEDRH-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357589 393471914 /nfs/dbraw/zinc/47/19/14/393471914.db2.gz DNIXJWUDQWEDRH-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCSc1ccccc1Cl ZINC000420358288 393472149 /nfs/dbraw/zinc/47/21/49/393472149.db2.gz UBLAXBNNMSMGDH-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCSc1ccccc1Cl ZINC000420358288 393472158 /nfs/dbraw/zinc/47/21/58/393472158.db2.gz UBLAXBNNMSMGDH-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000420376680 393478531 /nfs/dbraw/zinc/47/85/31/393478531.db2.gz VKRZGJAHVYKZFE-SFHVURJKSA-N 2 2 283.419 3.232 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)on2)cc1 ZINC000420380707 393479593 /nfs/dbraw/zinc/47/95/93/393479593.db2.gz YPOHJLXVUDDPMM-QWQRMKEZSA-N 2 2 299.418 3.126 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000488373994 393497860 /nfs/dbraw/zinc/49/78/60/393497860.db2.gz XUOXNHUSUJHLDW-BHYGNILZSA-N 2 2 260.425 3.315 20 0 CGADLP COc1cccc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000429861204 393507194 /nfs/dbraw/zinc/50/71/94/393507194.db2.gz VYDPADCKBIZEQY-ZDUSSCGKSA-N 2 2 285.391 3.359 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488451781 393519763 /nfs/dbraw/zinc/51/97/63/393519763.db2.gz FNMZLUVYHSVBBF-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488451781 393519766 /nfs/dbraw/zinc/51/97/66/393519766.db2.gz FNMZLUVYHSVBBF-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358160332 393520544 /nfs/dbraw/zinc/52/05/44/393520544.db2.gz DFEGSYACZPCAGJ-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358160332 393520549 /nfs/dbraw/zinc/52/05/49/393520549.db2.gz DFEGSYACZPCAGJ-HUUCEWRRSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC12CCCC2 ZINC000649658637 393528688 /nfs/dbraw/zinc/52/86/88/393528688.db2.gz RVGXOXRMZQTZJJ-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC12CCCC2 ZINC000649658637 393528693 /nfs/dbraw/zinc/52/86/93/393528693.db2.gz RVGXOXRMZQTZJJ-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC12CCCC2 ZINC000649658637 393528702 /nfs/dbraw/zinc/52/87/02/393528702.db2.gz RVGXOXRMZQTZJJ-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC12CCCC2 ZINC000649658637 393528707 /nfs/dbraw/zinc/52/87/07/393528707.db2.gz RVGXOXRMZQTZJJ-OAHLLOKOSA-N 2 2 250.430 3.268 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000359090484 393536291 /nfs/dbraw/zinc/53/62/91/393536291.db2.gz UPKWWVSGZLCEAC-HOCLYGCPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000359090484 393536292 /nfs/dbraw/zinc/53/62/92/393536292.db2.gz UPKWWVSGZLCEAC-HOCLYGCPSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430561683 393574370 /nfs/dbraw/zinc/57/43/70/393574370.db2.gz NSAMWEHCCTUINL-OAHLLOKOSA-N 2 2 293.436 3.175 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1cccc2ccccc21 ZINC000430562185 393574534 /nfs/dbraw/zinc/57/45/34/393574534.db2.gz PVWBGWJSXOASEU-QGZVFWFLSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCOc1cccc2ccccc21 ZINC000430562185 393574545 /nfs/dbraw/zinc/57/45/45/393574545.db2.gz PVWBGWJSXOASEU-QGZVFWFLSA-N 2 2 298.430 3.293 20 0 CGADLP Fc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C(F)(F)F ZINC000666769233 542814303 /nfs/dbraw/zinc/81/43/03/542814303.db2.gz WWTBJOQNGMSVGG-NSHDSACASA-N 2 2 290.304 3.076 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C)CC1 ZINC000360865733 393601201 /nfs/dbraw/zinc/60/12/01/393601201.db2.gz RLOZATPIZBEOJI-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C)CC1 ZINC000360865733 393601207 /nfs/dbraw/zinc/60/12/07/393601207.db2.gz RLOZATPIZBEOJI-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]C)CC1 ZINC000430936949 393601697 /nfs/dbraw/zinc/60/16/97/393601697.db2.gz YANQQYDCFWOUEC-HNNXBMFYSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576325 393579077 /nfs/dbraw/zinc/57/90/77/393579077.db2.gz XADHUBJVGFHVKR-JSGCOSHPSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576325 393579085 /nfs/dbraw/zinc/57/90/85/393579085.db2.gz XADHUBJVGFHVKR-JSGCOSHPSA-N 2 2 293.480 3.360 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430602311 393580006 /nfs/dbraw/zinc/58/00/06/393580006.db2.gz KZAHVLJNLKOMKA-MRXNPFEDSA-N 2 2 297.402 3.187 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430602311 393580014 /nfs/dbraw/zinc/58/00/14/393580014.db2.gz KZAHVLJNLKOMKA-MRXNPFEDSA-N 2 2 297.402 3.187 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421031082 393584230 /nfs/dbraw/zinc/58/42/30/393584230.db2.gz ZNUPPIYRLHFUCS-KRWDZBQOSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421031082 393584233 /nfs/dbraw/zinc/58/42/33/393584233.db2.gz ZNUPPIYRLHFUCS-KRWDZBQOSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361116013 393677914 /nfs/dbraw/zinc/67/79/14/393677914.db2.gz ZXDUUPFDSPXIDE-XYPHTWIQSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000361116013 393677918 /nfs/dbraw/zinc/67/79/18/393677918.db2.gz ZXDUUPFDSPXIDE-XYPHTWIQSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCCF)C1 ZINC000361003980 393636712 /nfs/dbraw/zinc/63/67/12/393636712.db2.gz PVWCZNODNRFOQU-GDBMZVCRSA-N 2 2 264.388 3.161 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCCF)C1 ZINC000361003980 393636713 /nfs/dbraw/zinc/63/67/13/393636713.db2.gz PVWCZNODNRFOQU-GDBMZVCRSA-N 2 2 264.388 3.161 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422719831 393640540 /nfs/dbraw/zinc/64/05/40/393640540.db2.gz RPKPBIHZJXLREQ-ZDUSSCGKSA-N 2 2 285.391 3.132 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)[C@@H]1CCCC[NH2+]1 ZINC000423091060 393650799 /nfs/dbraw/zinc/65/07/99/393650799.db2.gz ZBQSSBXIOWXQPV-ZLIFDBKOSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2sccc21 ZINC000423230195 393655014 /nfs/dbraw/zinc/65/50/14/393655014.db2.gz CWIRZFKUXGDQIF-MDZLAQPJSA-N 2 2 250.411 3.028 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000423245242 393656430 /nfs/dbraw/zinc/65/64/30/393656430.db2.gz OIULGYHJUCMARY-JCGIZDLHSA-N 2 2 290.451 3.215 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1Br ZINC000423268734 393658079 /nfs/dbraw/zinc/65/80/79/393658079.db2.gz GIBRXDQAGMXXPJ-NEPJUHHUSA-N 2 2 299.256 3.473 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423318152 393661319 /nfs/dbraw/zinc/66/13/19/393661319.db2.gz CRGJAAGSMGKQCM-NEPJUHHUSA-N 2 2 289.448 3.425 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[NH+]1CCCC1 ZINC000361078448 393667225 /nfs/dbraw/zinc/66/72/25/393667225.db2.gz HQGWIEBJOCVTKK-RHSMWYFYSA-N 2 2 288.435 3.234 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000361100142 393671828 /nfs/dbraw/zinc/67/18/28/393671828.db2.gz XPUNBXFMAPJZLC-NSHDSACASA-N 2 2 279.453 3.119 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423568571 393672894 /nfs/dbraw/zinc/67/28/94/393672894.db2.gz VOZJYGIEHNNJTB-KGLIPLIRSA-N 2 2 252.427 3.321 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1(C)C ZINC000447593333 393865967 /nfs/dbraw/zinc/86/59/67/393865967.db2.gz REOHFXQABKSXHA-GVDBMIGSSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1(C)C ZINC000447593333 393865969 /nfs/dbraw/zinc/86/59/69/393865969.db2.gz REOHFXQABKSXHA-GVDBMIGSSA-N 2 2 294.483 3.185 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000502022049 393866236 /nfs/dbraw/zinc/86/62/36/393866236.db2.gz XYEUIKOEWZQSSW-CABCVRRESA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449258438 393877676 /nfs/dbraw/zinc/87/76/76/393877676.db2.gz MWVLAYSWWGJRCC-BARDWOONSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[NH+](C)C ZINC000449555087 393899700 /nfs/dbraw/zinc/89/97/00/393899700.db2.gz FJJBUHWZSHWAHO-FIQHERPVSA-N 2 2 286.872 3.433 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@H](CO)CC(C)(C)C)c[nH+]1 ZINC000449582382 393913848 /nfs/dbraw/zinc/91/38/48/393913848.db2.gz FXNWXKLZPYGFRV-INIZCTEOSA-N 2 2 278.440 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@H](CO)CC(C)(C)C)c[nH+]1 ZINC000449582382 393913851 /nfs/dbraw/zinc/91/38/51/393913851.db2.gz FXNWXKLZPYGFRV-INIZCTEOSA-N 2 2 278.440 3.052 20 0 CGADLP CCCc1ncc(C[NH2+]CCCc2c[nH+]ccc2C)o1 ZINC000449614239 393921145 /nfs/dbraw/zinc/92/11/45/393921145.db2.gz VBDALSYYDNBZMR-UHFFFAOYSA-N 2 2 273.380 3.053 20 0 CGADLP CC[C@@]1(C)CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483750 394001600 /nfs/dbraw/zinc/00/16/00/394001600.db2.gz KDQCLVKYMNMJIA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483750 394001602 /nfs/dbraw/zinc/00/16/02/394001602.db2.gz KDQCLVKYMNMJIA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450483750 394001604 /nfs/dbraw/zinc/00/16/04/394001604.db2.gz KDQCLVKYMNMJIA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@]1(C)CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450483750 394001605 /nfs/dbraw/zinc/00/16/05/394001605.db2.gz KDQCLVKYMNMJIA-HOTGVXAUSA-N 2 2 252.446 3.371 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000453061566 394157237 /nfs/dbraw/zinc/15/72/37/394157237.db2.gz DAMYDFJNAWDDCK-VYDXJSESSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+](C)C ZINC000453090520 394167896 /nfs/dbraw/zinc/16/78/96/394167896.db2.gz RLPJDXKSPSPJHM-FUHWJXTLSA-N 2 2 291.483 3.359 20 0 CGADLP C1CC1[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000453092329 394168875 /nfs/dbraw/zinc/16/88/75/394168875.db2.gz DJOGUWCLMUORTG-WBVHZDCISA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000453092329 394168878 /nfs/dbraw/zinc/16/88/78/394168878.db2.gz DJOGUWCLMUORTG-WBVHZDCISA-N 2 2 262.441 3.172 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000453248586 394220253 /nfs/dbraw/zinc/22/02/53/394220253.db2.gz JDZSTKPIZXQLKC-RYUDHWBXSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000453248586 394220256 /nfs/dbraw/zinc/22/02/56/394220256.db2.gz JDZSTKPIZXQLKC-RYUDHWBXSA-N 2 2 261.394 3.069 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453164446 394193329 /nfs/dbraw/zinc/19/33/29/394193329.db2.gz AFOHWLJORDBOGM-INIZCTEOSA-N 2 2 283.419 3.329 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C3CC3)C3CCC3)n2c1 ZINC000453602857 394255459 /nfs/dbraw/zinc/25/54/59/394255459.db2.gz HKLXFEQTUGGKSS-KRWDZBQOSA-N 2 2 269.392 3.311 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)n1C ZINC000667499858 542880893 /nfs/dbraw/zinc/88/08/93/542880893.db2.gz WPMYQXQMFVJHII-ZDUSSCGKSA-N 2 2 257.381 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)n1C ZINC000667499858 542880896 /nfs/dbraw/zinc/88/08/96/542880896.db2.gz WPMYQXQMFVJHII-ZDUSSCGKSA-N 2 2 257.381 3.230 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000667601878 542897162 /nfs/dbraw/zinc/89/71/62/542897162.db2.gz LXROUWUKDGLRSH-KRWDZBQOSA-N 2 2 295.430 3.284 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H](Cc3ccccc3)C1)CCC2 ZINC000667601878 542897164 /nfs/dbraw/zinc/89/71/64/542897164.db2.gz LXROUWUKDGLRSH-KRWDZBQOSA-N 2 2 295.430 3.284 20 0 CGADLP COc1ccc(C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC000667620913 542898998 /nfs/dbraw/zinc/89/89/98/542898998.db2.gz UKQACCQJDQPKET-UHFFFAOYSA-N 2 2 299.418 3.117 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000667664509 542910521 /nfs/dbraw/zinc/91/05/21/542910521.db2.gz MUHGCWPNISZKMB-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000667664509 542910522 /nfs/dbraw/zinc/91/05/22/542910522.db2.gz MUHGCWPNISZKMB-CVEARBPZSA-N 2 2 293.455 3.144 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665658 542910819 /nfs/dbraw/zinc/91/08/19/542910819.db2.gz QHBLPEVYWOGHSQ-NSHDSACASA-N 2 2 292.452 3.249 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667665658 542910823 /nfs/dbraw/zinc/91/08/23/542910823.db2.gz QHBLPEVYWOGHSQ-NSHDSACASA-N 2 2 292.452 3.249 20 0 CGADLP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670938 542912104 /nfs/dbraw/zinc/91/21/04/542912104.db2.gz CDPLZHGBZIZFJJ-DOTOQJQBSA-N 2 2 295.430 3.282 20 0 CGADLP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670938 542912107 /nfs/dbraw/zinc/91/21/07/542912107.db2.gz CDPLZHGBZIZFJJ-DOTOQJQBSA-N 2 2 295.430 3.282 20 0 CGADLP CC(C)C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667674624 542913328 /nfs/dbraw/zinc/91/33/28/542913328.db2.gz LHHLJCVCFRCYIS-CQSZACIVSA-N 2 2 261.413 3.087 20 0 CGADLP CC(C)C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667674624 542913332 /nfs/dbraw/zinc/91/33/32/542913332.db2.gz LHHLJCVCFRCYIS-CQSZACIVSA-N 2 2 261.413 3.087 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667671311 542914568 /nfs/dbraw/zinc/91/45/68/542914568.db2.gz OCDWSCUIPKMZEI-QGZVFWFLSA-N 2 2 285.435 3.490 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667671311 542914570 /nfs/dbraw/zinc/91/45/70/542914570.db2.gz OCDWSCUIPKMZEI-QGZVFWFLSA-N 2 2 285.435 3.490 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccccc1 ZINC000667690017 542917380 /nfs/dbraw/zinc/91/73/80/542917380.db2.gz MSOBDFOOUGMEMA-GUYCJALGSA-N 2 2 267.376 3.022 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccccc1 ZINC000667690017 542917383 /nfs/dbraw/zinc/91/73/83/542917383.db2.gz MSOBDFOOUGMEMA-GUYCJALGSA-N 2 2 267.376 3.022 20 0 CGADLP CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691982 542918356 /nfs/dbraw/zinc/91/83/56/542918356.db2.gz UVFRMIJPGJXHDY-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(C)C ZINC000667691982 542918359 /nfs/dbraw/zinc/91/83/59/542918359.db2.gz UVFRMIJPGJXHDY-JKSUJKDBSA-N 2 2 293.455 3.144 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2cscn2)c[nH+]1 ZINC000668501929 543021785 /nfs/dbraw/zinc/02/17/85/543021785.db2.gz JNEMRVWXIKMGOE-GFCCVEGCSA-N 2 2 261.394 3.130 20 0 CGADLP FC(F)C1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000669613531 543111543 /nfs/dbraw/zinc/11/15/43/543111543.db2.gz DKCSFJPISRJTTO-UHFFFAOYSA-N 2 2 271.355 3.077 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670270966 543150507 /nfs/dbraw/zinc/15/05/07/543150507.db2.gz QHNATZACYMORQV-OAHLLOKOSA-N 2 2 275.440 3.194 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000671770678 543188370 /nfs/dbraw/zinc/18/83/70/543188370.db2.gz XIFHAHAKQTURFD-MAUKXSAKSA-N 2 2 272.436 3.446 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000671770678 543188372 /nfs/dbraw/zinc/18/83/72/543188372.db2.gz XIFHAHAKQTURFD-MAUKXSAKSA-N 2 2 272.436 3.446 20 0 CGADLP COC1(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCCC1 ZINC000359749312 292122070 /nfs/dbraw/zinc/12/20/70/292122070.db2.gz ULHTWYGMHRXWNS-QGZVFWFLSA-N 2 2 290.451 3.147 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000352897348 397686460 /nfs/dbraw/zinc/68/64/60/397686460.db2.gz BFNXFLBRPOQQKT-SUNYJGFJSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000352897348 397686463 /nfs/dbraw/zinc/68/64/63/397686463.db2.gz BFNXFLBRPOQQKT-SUNYJGFJSA-N 2 2 288.435 3.219 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1CCOc2ccccc21 ZINC000393916852 397693922 /nfs/dbraw/zinc/69/39/22/397693922.db2.gz VWSKUWYHLXSYNK-QGZVFWFLSA-N 2 2 296.414 3.014 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1CCOc2ccccc21 ZINC000393916852 397693925 /nfs/dbraw/zinc/69/39/25/397693925.db2.gz VWSKUWYHLXSYNK-QGZVFWFLSA-N 2 2 296.414 3.014 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC2CCC1CC2 ZINC000394317975 397695244 /nfs/dbraw/zinc/69/52/44/397695244.db2.gz DYYGWQAYSHGINF-VXGQWTEUSA-N 2 2 252.446 3.131 20 0 CGADLP CC[N@H+](CCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710472 397898045 /nfs/dbraw/zinc/89/80/45/397898045.db2.gz PQRLEBPBLGHUEB-IAGOWNOFSA-N 3 2 295.515 3.151 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650710472 397898046 /nfs/dbraw/zinc/89/80/46/397898046.db2.gz PQRLEBPBLGHUEB-IAGOWNOFSA-N 3 2 295.515 3.151 20 0 CGADLP CC(C)c1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650717715 397901192 /nfs/dbraw/zinc/90/11/92/397901192.db2.gz KFTLAFIIDFZGCZ-UHFFFAOYSA-N 2 2 293.411 3.154 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C[N@@H+]1C1CC1 ZINC000650760647 397911906 /nfs/dbraw/zinc/91/19/06/397911906.db2.gz JJVDLJVXPZOCMO-OIISXLGYSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C[N@H+]1C1CC1 ZINC000650760647 397911908 /nfs/dbraw/zinc/91/19/08/397911908.db2.gz JJVDLJVXPZOCMO-OIISXLGYSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000675495455 543344221 /nfs/dbraw/zinc/34/42/21/543344221.db2.gz GUXXXDQJKUGJIV-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000675495455 543344222 /nfs/dbraw/zinc/34/42/22/543344222.db2.gz GUXXXDQJKUGJIV-YJBOKZPZSA-N 2 2 272.436 3.459 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000675499012 543345229 /nfs/dbraw/zinc/34/52/29/543345229.db2.gz ZAEDEDVWLDANGJ-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]1c1cccc(F)c1 ZINC000675499012 543345231 /nfs/dbraw/zinc/34/52/31/543345231.db2.gz ZAEDEDVWLDANGJ-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675499012 543345233 /nfs/dbraw/zinc/34/52/33/543345233.db2.gz ZAEDEDVWLDANGJ-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000675499012 543345234 /nfs/dbraw/zinc/34/52/34/543345234.db2.gz ZAEDEDVWLDANGJ-SJORKVTESA-N 2 2 276.399 3.447 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766922 543362664 /nfs/dbraw/zinc/36/26/64/543362664.db2.gz QUUDHPDUPIMHCA-GDBMZVCRSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000675766922 543362666 /nfs/dbraw/zinc/36/26/66/543362666.db2.gz QUUDHPDUPIMHCA-GDBMZVCRSA-N 2 2 286.419 3.117 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675832952 543367984 /nfs/dbraw/zinc/36/79/84/543367984.db2.gz FEVKPJQHFDJWDX-YESZJQIVSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832952 543367986 /nfs/dbraw/zinc/36/79/86/543367986.db2.gz FEVKPJQHFDJWDX-YESZJQIVSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCC1 ZINC000675917590 543373720 /nfs/dbraw/zinc/37/37/20/543373720.db2.gz DDWGVUHTMHESLW-PBHICJAKSA-N 2 2 283.419 3.482 20 0 CGADLP C[N@H+](CCOC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000676042909 543379094 /nfs/dbraw/zinc/37/90/94/543379094.db2.gz HISMRSFFLPDBFO-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP C[N@@H+](CCOC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000676042909 543379095 /nfs/dbraw/zinc/37/90/95/543379095.db2.gz HISMRSFFLPDBFO-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP CC[C@@H](COC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806970 543466729 /nfs/dbraw/zinc/46/67/29/543466729.db2.gz WKEZGBVQBZXQER-IRXDYDNUSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](COC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806970 543466731 /nfs/dbraw/zinc/46/67/31/543466731.db2.gz WKEZGBVQBZXQER-IRXDYDNUSA-N 2 2 290.451 3.054 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000677983903 543474977 /nfs/dbraw/zinc/47/49/77/543474977.db2.gz PODKXTYYOSYDKI-QGZVFWFLSA-N 2 2 299.418 3.427 20 0 CGADLP COc1ccccc1[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000677983903 543474978 /nfs/dbraw/zinc/47/49/78/543474978.db2.gz PODKXTYYOSYDKI-QGZVFWFLSA-N 2 2 299.418 3.427 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188780 543492162 /nfs/dbraw/zinc/49/21/62/543492162.db2.gz LLPXZIXUTBGJJP-CABCVRRESA-N 2 2 297.402 3.155 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCOc4ccccc43)C2)[nH]1 ZINC000678188780 543492164 /nfs/dbraw/zinc/49/21/64/543492164.db2.gz LLPXZIXUTBGJJP-CABCVRRESA-N 2 2 297.402 3.155 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000678592436 543539094 /nfs/dbraw/zinc/53/90/94/543539094.db2.gz DFGMCQQAKYFMOF-JKSUJKDBSA-N 2 2 290.476 3.135 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000678592436 543539096 /nfs/dbraw/zinc/53/90/96/543539096.db2.gz DFGMCQQAKYFMOF-JKSUJKDBSA-N 2 2 290.476 3.135 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423212219 292205587 /nfs/dbraw/zinc/20/55/87/292205587.db2.gz JLBJTPIFDOAARC-SJORKVTESA-N 2 2 258.409 3.178 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cscn1 ZINC000535777633 288461641 /nfs/dbraw/zinc/46/16/41/288461641.db2.gz KDPPFUCEQXHXPP-GFCCVEGCSA-N 2 2 279.453 3.201 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cscn1 ZINC000535777782 288461637 /nfs/dbraw/zinc/46/16/37/288461637.db2.gz DMMIVXXKFAVSKO-YPMHNXCESA-N 2 2 269.458 3.160 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)[C@H](C)[NH3+] ZINC000423448953 287050782 /nfs/dbraw/zinc/05/07/82/287050782.db2.gz QXZADXBBUSIYLD-YIZRAAEISA-N 2 2 261.196 3.380 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000088669541 287087320 /nfs/dbraw/zinc/08/73/20/287087320.db2.gz QRIGSWZRBJNIMI-WBVHZDCISA-N 2 2 284.403 3.247 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000088669541 287087324 /nfs/dbraw/zinc/08/73/24/287087324.db2.gz QRIGSWZRBJNIMI-WBVHZDCISA-N 2 2 284.403 3.247 20 0 CGADLP CSCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000081292719 165166401 /nfs/dbraw/zinc/16/64/01/165166401.db2.gz WSVLGSXLVUXHDY-UHFFFAOYSA-N 2 2 275.421 3.023 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000089108691 165201476 /nfs/dbraw/zinc/20/14/76/165201476.db2.gz OVRYQXAMCHJZLZ-DZGCQCFKSA-N 2 2 255.365 3.164 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCC1 ZINC000090050755 165225620 /nfs/dbraw/zinc/22/56/20/165225620.db2.gz RUUKSSOTSHQNPR-ZDUSSCGKSA-N 2 2 271.408 3.284 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000090404435 165231302 /nfs/dbraw/zinc/23/13/02/165231302.db2.gz HTFYUPSLMCLANO-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000091961048 165277699 /nfs/dbraw/zinc/27/76/99/165277699.db2.gz GTSWLQFAXDVPJY-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000091961048 165277702 /nfs/dbraw/zinc/27/77/02/165277702.db2.gz GTSWLQFAXDVPJY-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960560 165278527 /nfs/dbraw/zinc/27/85/27/165278527.db2.gz YYAWSFJISFZNHV-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000091960560 165278531 /nfs/dbraw/zinc/27/85/31/165278531.db2.gz YYAWSFJISFZNHV-SUMWQHHRSA-N 2 2 287.382 3.414 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000094868800 287123324 /nfs/dbraw/zinc/12/33/24/287123324.db2.gz GYBOQYUWZBWGQB-ZDUSSCGKSA-N 2 2 250.386 3.195 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261691653 165827590 /nfs/dbraw/zinc/82/75/90/165827590.db2.gz IZUIIHVAQDFXAW-DOTOQJQBSA-N 2 2 286.806 3.267 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261691653 165827593 /nfs/dbraw/zinc/82/75/93/165827593.db2.gz IZUIIHVAQDFXAW-DOTOQJQBSA-N 2 2 286.806 3.267 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000284461645 196062474 /nfs/dbraw/zinc/06/24/74/196062474.db2.gz TXGSCBAVNZQWMG-LBTBCDHLSA-N 2 2 299.418 3.062 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506186 171228211 /nfs/dbraw/zinc/22/82/11/171228211.db2.gz XLBAOEUBPQQWMV-HNNXBMFYSA-N 2 2 287.407 3.413 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1C ZINC000021815397 171331902 /nfs/dbraw/zinc/33/19/02/171331902.db2.gz UPDCBBHILHXPPQ-INIZCTEOSA-N 2 2 260.425 3.358 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000035275159 172095710 /nfs/dbraw/zinc/09/57/10/172095710.db2.gz VKEJWPAJWPVDOO-JTQLQIEISA-N 2 2 284.190 3.368 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275416 172095747 /nfs/dbraw/zinc/09/57/47/172095747.db2.gz IYQBQOGECHHNQA-QKPAOTATSA-N 2 2 261.413 3.220 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@@H+]1C ZINC000285144917 196205921 /nfs/dbraw/zinc/20/59/21/196205921.db2.gz TVBDCYZGEGFBAO-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@H+]1C ZINC000285144917 196205923 /nfs/dbraw/zinc/20/59/23/196205923.db2.gz TVBDCYZGEGFBAO-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144917 196205925 /nfs/dbraw/zinc/20/59/25/196205925.db2.gz TVBDCYZGEGFBAO-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144917 196205927 /nfs/dbraw/zinc/20/59/27/196205927.db2.gz TVBDCYZGEGFBAO-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[NH+](C)C1 ZINC000285223580 196225621 /nfs/dbraw/zinc/22/56/21/196225621.db2.gz XRHSRWBLFMYWQY-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[NH+](C)C1 ZINC000285223580 196225623 /nfs/dbraw/zinc/22/56/23/196225623.db2.gz XRHSRWBLFMYWQY-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@H+](C)C1 ZINC000285223580 196225624 /nfs/dbraw/zinc/22/56/24/196225624.db2.gz XRHSRWBLFMYWQY-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000285223580 196225626 /nfs/dbraw/zinc/22/56/26/196225626.db2.gz XRHSRWBLFMYWQY-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000037325802 173126853 /nfs/dbraw/zinc/12/68/53/173126853.db2.gz PFAPULIHMWJGLN-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CCCC3)C2)cc1 ZINC000037325802 173126855 /nfs/dbraw/zinc/12/68/55/173126855.db2.gz PFAPULIHMWJGLN-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(C)CC1 ZINC000126969006 287277548 /nfs/dbraw/zinc/27/75/48/287277548.db2.gz HNQBJXZHIGRTCS-GFCCVEGCSA-N 2 2 273.355 3.290 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000038028875 174018275 /nfs/dbraw/zinc/01/82/75/174018275.db2.gz LOIGMKPIXWMIDB-HZPDHXFCSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1ccccc1C1CC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000127491817 287288936 /nfs/dbraw/zinc/28/89/36/287288936.db2.gz NTRDDLNYLMHRQI-QQFBHYJXSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000127491817 287288937 /nfs/dbraw/zinc/28/89/37/287288937.db2.gz NTRDDLNYLMHRQI-QQFBHYJXSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1cc[nH+]c(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128380744 287309636 /nfs/dbraw/zinc/30/96/36/287309636.db2.gz OBNFCWXWLGULKD-HNNXBMFYSA-N 2 2 264.332 3.315 20 0 CGADLP CC[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071312068 176118977 /nfs/dbraw/zinc/11/89/77/176118977.db2.gz ZPYXXZMDQURSMZ-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071312068 176118978 /nfs/dbraw/zinc/11/89/78/176118978.db2.gz ZPYXXZMDQURSMZ-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000423020554 298963735 /nfs/dbraw/zinc/96/37/35/298963735.db2.gz BYJBEJJOAATELJ-GDZNZVCISA-N 2 2 287.382 3.026 20 0 CGADLP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000299974194 416525746 /nfs/dbraw/zinc/52/57/46/416525746.db2.gz BPQUGTJQQARQNZ-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000299974194 416525751 /nfs/dbraw/zinc/52/57/51/416525751.db2.gz BPQUGTJQQARQNZ-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122299117 416503277 /nfs/dbraw/zinc/50/32/77/416503277.db2.gz KDALEUTUDSPAJE-FZMZJTMJSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122299117 416503279 /nfs/dbraw/zinc/50/32/79/416503279.db2.gz KDALEUTUDSPAJE-FZMZJTMJSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000129733772 287338055 /nfs/dbraw/zinc/33/80/55/287338055.db2.gz JPJNUSOJHJSWRR-ZDUSSCGKSA-N 2 2 278.465 3.373 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[N@H+](C)C1CC1 ZINC000129753679 287338407 /nfs/dbraw/zinc/33/84/07/287338407.db2.gz RDJGZJYYZFOMOH-WOPDTQHZSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+](C)C1CC1 ZINC000129753679 287338410 /nfs/dbraw/zinc/33/84/10/287338410.db2.gz RDJGZJYYZFOMOH-WOPDTQHZSA-N 2 2 278.362 3.180 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000679349699 543624149 /nfs/dbraw/zinc/62/41/49/543624149.db2.gz XDGHNJJGPSLJEW-VKJFTORMSA-N 2 2 272.436 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000679349699 543624151 /nfs/dbraw/zinc/62/41/51/543624151.db2.gz XDGHNJJGPSLJEW-VKJFTORMSA-N 2 2 272.436 3.171 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000679365041 543630309 /nfs/dbraw/zinc/63/03/09/543630309.db2.gz XMXIRHICEZWKBS-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000679365041 543630314 /nfs/dbraw/zinc/63/03/14/543630314.db2.gz XMXIRHICEZWKBS-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000679365041 543630316 /nfs/dbraw/zinc/63/03/16/543630316.db2.gz XMXIRHICEZWKBS-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000679365041 543630322 /nfs/dbraw/zinc/63/03/22/543630322.db2.gz XMXIRHICEZWKBS-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP CCC[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000679577300 543648777 /nfs/dbraw/zinc/64/87/77/543648777.db2.gz PMTGENLSJKGVAO-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000680050054 543680527 /nfs/dbraw/zinc/68/05/27/543680527.db2.gz LHFGKBDXEZIIRW-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000680050054 543680530 /nfs/dbraw/zinc/68/05/30/543680530.db2.gz LHFGKBDXEZIIRW-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000131022950 287368621 /nfs/dbraw/zinc/36/86/21/287368621.db2.gz QHSMXWALXTVEQG-KFWWJZLASA-N 2 2 290.451 3.260 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000131022950 287368624 /nfs/dbraw/zinc/36/86/24/287368624.db2.gz QHSMXWALXTVEQG-KFWWJZLASA-N 2 2 290.451 3.260 20 0 CGADLP CC[NH+](CC)CCC[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000683140748 543898834 /nfs/dbraw/zinc/89/88/34/543898834.db2.gz DZSJSTFDPSKFFV-UHFFFAOYSA-N 2 2 264.413 3.284 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000683140748 543898838 /nfs/dbraw/zinc/89/88/38/543898838.db2.gz DZSJSTFDPSKFFV-UHFFFAOYSA-N 2 2 264.413 3.284 20 0 CGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000683814710 543943790 /nfs/dbraw/zinc/94/37/90/543943790.db2.gz OMUXENFYNKVCAU-NVXWUHKLSA-N 2 2 287.407 3.029 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000684391071 543992291 /nfs/dbraw/zinc/99/22/91/543992291.db2.gz PQCDULNBCKKYCD-IAGOWNOFSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCc2ccccc2CC1 ZINC000685418367 544066754 /nfs/dbraw/zinc/06/67/54/544066754.db2.gz GBHWTFCLUQBWHD-UHFFFAOYSA-N 2 2 280.415 3.423 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135098537 287461157 /nfs/dbraw/zinc/46/11/57/287461157.db2.gz DQBJIZDASPHJOI-GFCCVEGCSA-N 2 2 292.398 3.112 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC000652215179 418937088 /nfs/dbraw/zinc/93/70/88/418937088.db2.gz GXWSCTKPBSAONB-UHFFFAOYSA-N 2 2 278.827 3.403 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870460 419021668 /nfs/dbraw/zinc/02/16/68/419021668.db2.gz BPHWKMHTMIQZMH-ZIAGYGMSSA-N 2 2 274.399 3.228 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870460 419021669 /nfs/dbraw/zinc/02/16/69/419021669.db2.gz BPHWKMHTMIQZMH-ZIAGYGMSSA-N 2 2 274.399 3.228 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881990 419028664 /nfs/dbraw/zinc/02/86/64/419028664.db2.gz CPNVVFOQASTZGI-STQMWFEESA-N 2 2 271.355 3.201 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881990 419028667 /nfs/dbraw/zinc/02/86/67/419028667.db2.gz CPNVVFOQASTZGI-STQMWFEESA-N 2 2 271.355 3.201 20 0 CGADLP C[N@@H+](Cc1nsc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000659947829 419041258 /nfs/dbraw/zinc/04/12/58/419041258.db2.gz NNFUZBJZQFOVJQ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[N@H+](Cc1nsc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000659947829 419041263 /nfs/dbraw/zinc/04/12/63/419041263.db2.gz NNFUZBJZQFOVJQ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nsc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000659947829 419041266 /nfs/dbraw/zinc/04/12/66/419041266.db2.gz NNFUZBJZQFOVJQ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP C[NH+](Cc1nsc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000659947829 419041270 /nfs/dbraw/zinc/04/12/70/419041270.db2.gz NNFUZBJZQFOVJQ-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831932 419011809 /nfs/dbraw/zinc/01/18/09/419011809.db2.gz GQEMTWRCPPZQAF-INIZCTEOSA-N 2 2 284.407 3.060 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664831932 419011811 /nfs/dbraw/zinc/01/18/11/419011811.db2.gz GQEMTWRCPPZQAF-INIZCTEOSA-N 2 2 284.407 3.060 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665236717 419086394 /nfs/dbraw/zinc/08/63/94/419086394.db2.gz SKKKFGVQLUYCHG-RRFJBIMHSA-N 2 2 274.408 3.112 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241766 419088137 /nfs/dbraw/zinc/08/81/37/419088137.db2.gz YLMWDFHQVPIHJM-RCBQFDQVSA-N 2 2 264.388 3.253 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@H]1CCc2ccccc21 ZINC000660147290 419089137 /nfs/dbraw/zinc/08/91/37/419089137.db2.gz BHXCALDGXBWEPE-QGZVFWFLSA-N 2 2 283.419 3.325 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@H]1CCc2ccccc21 ZINC000660147290 419089140 /nfs/dbraw/zinc/08/91/40/419089140.db2.gz BHXCALDGXBWEPE-QGZVFWFLSA-N 2 2 283.419 3.325 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CCCC1 ZINC000665248588 419092543 /nfs/dbraw/zinc/09/25/43/419092543.db2.gz ZSKBFGFOXMBRLB-QGZVFWFLSA-N 2 2 299.393 3.171 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000665265309 419096612 /nfs/dbraw/zinc/09/66/12/419096612.db2.gz UUWRGMQKEMSBCP-ZANVPECISA-N 2 2 273.207 3.224 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276738 419100053 /nfs/dbraw/zinc/10/00/53/419100053.db2.gz LITZRLVYOPXDRM-WCVRRQIGSA-N 2 2 293.480 3.152 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000655801256 419100156 /nfs/dbraw/zinc/10/01/56/419100156.db2.gz UXGUEPTYKRYYAM-JCURWCKSSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000655801256 419100159 /nfs/dbraw/zinc/10/01/59/419100159.db2.gz UXGUEPTYKRYYAM-JCURWCKSSA-N 2 2 276.399 3.349 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCS2 ZINC000665279076 419101962 /nfs/dbraw/zinc/10/19/62/419101962.db2.gz WIOYHKBZOVBVGI-GNHJJJEISA-N 2 2 288.460 3.182 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000660226209 419104149 /nfs/dbraw/zinc/10/41/49/419104149.db2.gz VKUHIUCKEMBCSF-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000660226209 419104152 /nfs/dbraw/zinc/10/41/52/419104152.db2.gz VKUHIUCKEMBCSF-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000660226209 419104154 /nfs/dbraw/zinc/10/41/54/419104154.db2.gz VKUHIUCKEMBCSF-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000660226209 419104157 /nfs/dbraw/zinc/10/41/57/419104157.db2.gz VKUHIUCKEMBCSF-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892570 419104520 /nfs/dbraw/zinc/10/45/20/419104520.db2.gz JYKFBBMWJFPGJS-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892570 419104521 /nfs/dbraw/zinc/10/45/21/419104521.db2.gz JYKFBBMWJFPGJS-INIZCTEOSA-N 2 2 261.413 3.236 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000665288495 419107300 /nfs/dbraw/zinc/10/73/00/419107300.db2.gz PDICSZBCCGURPB-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000665288495 419107303 /nfs/dbraw/zinc/10/73/03/419107303.db2.gz PDICSZBCCGURPB-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000665298120 419110257 /nfs/dbraw/zinc/11/02/57/419110257.db2.gz SCOQTTHHKVNFNQ-BEFAXECRSA-N 2 2 298.430 3.177 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850784 419120488 /nfs/dbraw/zinc/12/04/88/419120488.db2.gz YUUHUZBJYFTONB-QKPAOTATSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850784 419120492 /nfs/dbraw/zinc/12/04/92/419120492.db2.gz YUUHUZBJYFTONB-QKPAOTATSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856037 419122841 /nfs/dbraw/zinc/12/28/41/419122841.db2.gz LBHAIRDDIDQBNP-KPLAAQDZSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856037 419122844 /nfs/dbraw/zinc/12/28/44/419122844.db2.gz LBHAIRDDIDQBNP-KPLAAQDZSA-N 2 2 288.410 3.445 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855606 419123386 /nfs/dbraw/zinc/12/33/86/419123386.db2.gz IFNVDUGWETVAOX-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855606 419123390 /nfs/dbraw/zinc/12/33/90/419123390.db2.gz IFNVDUGWETVAOX-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@H]1CCCn2cc[nH+]c21)CC(C)C ZINC000655687002 419065103 /nfs/dbraw/zinc/06/51/03/419065103.db2.gz HLJQFTJWKQNYBE-HOTGVXAUSA-N 2 2 292.471 3.064 20 0 CGADLP c1cnc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000655856471 419123626 /nfs/dbraw/zinc/12/36/26/419123626.db2.gz OHOQNUIWOYRDCU-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000655856471 419123628 /nfs/dbraw/zinc/12/36/28/419123628.db2.gz OHOQNUIWOYRDCU-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000653678712 419070733 /nfs/dbraw/zinc/07/07/33/419070733.db2.gz ZDHXMUQQWQEPSA-UHFFFAOYSA-N 2 2 299.418 3.026 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000653678712 419070737 /nfs/dbraw/zinc/07/07/37/419070737.db2.gz ZDHXMUQQWQEPSA-UHFFFAOYSA-N 2 2 299.418 3.026 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nsc4ccccc34)C2)[nH]1 ZINC000660078621 419073139 /nfs/dbraw/zinc/07/31/39/419073139.db2.gz XCXNDKNXXMTVCM-LBPRGKRZSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nsc4ccccc34)C2)[nH]1 ZINC000660078621 419073141 /nfs/dbraw/zinc/07/31/41/419073141.db2.gz XCXNDKNXXMTVCM-LBPRGKRZSA-N 2 2 298.415 3.399 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000655941007 419129542 /nfs/dbraw/zinc/12/95/42/419129542.db2.gz KGNQARCACYXNBS-QWQRMKEZSA-N 2 2 290.451 3.295 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000656224941 419154998 /nfs/dbraw/zinc/15/49/98/419154998.db2.gz AYESWTWMWLYEGC-GJZGRUSLSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000656224941 419155000 /nfs/dbraw/zinc/15/50/00/419155000.db2.gz AYESWTWMWLYEGC-GJZGRUSLSA-N 2 2 286.423 3.091 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)nc1 ZINC000660675157 419181574 /nfs/dbraw/zinc/18/15/74/419181574.db2.gz KSBCPWWGRMWVAC-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000655859409 419125579 /nfs/dbraw/zinc/12/55/79/419125579.db2.gz KEFFVBFAQNPQEB-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000655859409 419125582 /nfs/dbraw/zinc/12/55/82/419125582.db2.gz KEFFVBFAQNPQEB-GJZGRUSLSA-N 2 2 264.438 3.163 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)CC(C)(C)[NH3+] ZINC000656785810 419219063 /nfs/dbraw/zinc/21/90/63/419219063.db2.gz QTDTZCWUOSMGQD-UHFFFAOYSA-N 2 2 296.842 3.298 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)CC(C)(C)[NH3+] ZINC000656785810 419219066 /nfs/dbraw/zinc/21/90/66/419219066.db2.gz QTDTZCWUOSMGQD-UHFFFAOYSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000656788796 419221044 /nfs/dbraw/zinc/22/10/44/419221044.db2.gz GQELBFQTEHEDDO-RTBURBONSA-N 2 2 280.415 3.230 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccccc1CC[NH+](C)C ZINC000657442606 419279871 /nfs/dbraw/zinc/27/98/71/419279871.db2.gz SFHGJDAYNVBRHL-UHFFFAOYSA-N 2 2 286.423 3.180 20 0 CGADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657457508 419283295 /nfs/dbraw/zinc/28/32/95/419283295.db2.gz XBSHZWTVLUVOJZ-ZBFHGGJFSA-N 2 2 299.393 3.394 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657476144 419288507 /nfs/dbraw/zinc/28/85/07/419288507.db2.gz BFACAVMTMPCXNT-INIZCTEOSA-N 2 2 285.366 3.136 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525240 419298078 /nfs/dbraw/zinc/29/80/78/419298078.db2.gz VUQADCMKPOJKJN-HNNXBMFYSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525240 419298079 /nfs/dbraw/zinc/29/80/79/419298079.db2.gz VUQADCMKPOJKJN-HNNXBMFYSA-N 2 2 276.424 3.048 20 0 CGADLP CC[C@H](COCC1CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657560887 419304610 /nfs/dbraw/zinc/30/46/10/419304610.db2.gz KTNHKOWKRDYBSO-QGZVFWFLSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657563331 419306558 /nfs/dbraw/zinc/30/65/58/419306558.db2.gz MASDYUXKLPIEFH-LBPRGKRZSA-N 2 2 260.372 3.027 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657563331 419306559 /nfs/dbraw/zinc/30/65/59/419306559.db2.gz MASDYUXKLPIEFH-LBPRGKRZSA-N 2 2 260.372 3.027 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000657680379 419327616 /nfs/dbraw/zinc/32/76/16/419327616.db2.gz JVDZTNWOLHRHKY-AWEZNQCLSA-N 2 2 261.394 3.212 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCc4ccc(O)cc43)c[nH+]c12 ZINC000657692839 419328452 /nfs/dbraw/zinc/32/84/52/419328452.db2.gz FPHBJOQLLKIRAW-KRWDZBQOSA-N 2 2 293.370 3.125 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCSCC2)[NH+](C)C)cc1 ZINC000657859890 419392875 /nfs/dbraw/zinc/39/28/75/419392875.db2.gz YJNPBEQCGMOJCM-SJORKVTESA-N 2 2 292.492 3.473 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000657870553 419396757 /nfs/dbraw/zinc/39/67/57/419396757.db2.gz FIGZRLSXXLNVQA-WFASDCNBSA-N 2 2 268.832 3.201 20 0 CGADLP COc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1Cl ZINC000662246785 419373814 /nfs/dbraw/zinc/37/38/14/419373814.db2.gz CTDLOKLLUZRUDO-ZDUSSCGKSA-N 2 2 284.831 3.154 20 0 CGADLP COc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1Cl ZINC000662246785 419373816 /nfs/dbraw/zinc/37/38/16/419373816.db2.gz CTDLOKLLUZRUDO-ZDUSSCGKSA-N 2 2 284.831 3.154 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cc2ccncc2s1 ZINC000657826483 419374556 /nfs/dbraw/zinc/37/45/56/419374556.db2.gz UTCIQCHWHFSQJJ-LBPRGKRZSA-N 2 2 275.421 3.043 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658054633 419523289 /nfs/dbraw/zinc/52/32/89/419523289.db2.gz FRHBUKGLYIIHID-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658054633 419523301 /nfs/dbraw/zinc/52/33/01/419523301.db2.gz FRHBUKGLYIIHID-WBVHZDCISA-N 2 2 272.436 3.445 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000658058464 419527720 /nfs/dbraw/zinc/52/77/20/419527720.db2.gz DIQUYSAGGBQORX-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000658058464 419527730 /nfs/dbraw/zinc/52/77/30/419527730.db2.gz DIQUYSAGGBQORX-RBSFLKMASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058140 419528901 /nfs/dbraw/zinc/52/89/01/419528901.db2.gz DBEZFPJWLMSCES-WDEREUQCSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058140 419528908 /nfs/dbraw/zinc/52/89/08/419528908.db2.gz DBEZFPJWLMSCES-WDEREUQCSA-N 2 2 262.388 3.129 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060346 419532425 /nfs/dbraw/zinc/53/24/25/419532425.db2.gz YVXPIGJDJNZOSV-HOCLYGCPSA-N 2 2 293.430 3.380 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cn1 ZINC000658060346 419532432 /nfs/dbraw/zinc/53/24/32/419532432.db2.gz YVXPIGJDJNZOSV-HOCLYGCPSA-N 2 2 293.430 3.380 20 0 CGADLP COC1CC(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658059429 419534070 /nfs/dbraw/zinc/53/40/70/419534070.db2.gz JIKFLXQJKIYCPI-SYJJWHGVSA-N 2 2 299.418 3.338 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658063005 419535998 /nfs/dbraw/zinc/53/59/98/419535998.db2.gz UUKOVUYIASGEBS-PBHICJAKSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000658063005 419536007 /nfs/dbraw/zinc/53/60/07/419536007.db2.gz UUKOVUYIASGEBS-PBHICJAKSA-N 2 2 288.435 3.232 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658088626 419558069 /nfs/dbraw/zinc/55/80/69/419558069.db2.gz DWXMGIKTHYVIGC-GLJUWKHASA-N 2 2 290.426 3.137 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658088626 419558075 /nfs/dbraw/zinc/55/80/75/419558075.db2.gz DWXMGIKTHYVIGC-GLJUWKHASA-N 2 2 290.426 3.137 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000658034455 419510451 /nfs/dbraw/zinc/51/04/51/419510451.db2.gz FTTXQNIITKMRSZ-HNNXBMFYSA-N 2 2 291.826 3.227 20 0 CGADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000663500405 419635854 /nfs/dbraw/zinc/63/58/54/419635854.db2.gz RKMUTYFUEHBERM-CABCVRRESA-N 2 2 284.394 3.216 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1F ZINC000658166654 419630854 /nfs/dbraw/zinc/63/08/54/419630854.db2.gz KIYMSKBZGDWZCY-WQVCFCJDSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1F ZINC000658166654 419630860 /nfs/dbraw/zinc/63/08/60/419630860.db2.gz KIYMSKBZGDWZCY-WQVCFCJDSA-N 2 2 264.388 3.063 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658221101 419679370 /nfs/dbraw/zinc/67/93/70/419679370.db2.gz SWKNYIVXZRIZGV-RKVPGOIHSA-N 2 2 299.418 3.481 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286566 419735550 /nfs/dbraw/zinc/73/55/50/419735550.db2.gz AULWSLLMKOWJMK-JSGCOSHPSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286566 419735556 /nfs/dbraw/zinc/73/55/56/419735556.db2.gz AULWSLLMKOWJMK-JSGCOSHPSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000658287952 419736771 /nfs/dbraw/zinc/73/67/71/419736771.db2.gz PFVMRKVNRDFDEU-YOEHRIQHSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000658287952 419736778 /nfs/dbraw/zinc/73/67/78/419736778.db2.gz PFVMRKVNRDFDEU-YOEHRIQHSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1C ZINC000390574510 262221970 /nfs/dbraw/zinc/22/19/70/262221970.db2.gz CNULZMFURNWJLO-AHCXZYCDSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1C ZINC000390574510 262221972 /nfs/dbraw/zinc/22/19/72/262221972.db2.gz CNULZMFURNWJLO-AHCXZYCDSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687617 270037407 /nfs/dbraw/zinc/03/74/07/270037407.db2.gz HMCOESARDZBERU-DOTOQJQBSA-N 2 2 272.436 3.142 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687617 270037408 /nfs/dbraw/zinc/03/74/08/270037408.db2.gz HMCOESARDZBERU-DOTOQJQBSA-N 2 2 272.436 3.142 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094424 270038378 /nfs/dbraw/zinc/03/83/78/270038378.db2.gz SOHYRJKVYHHACB-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785705 270050377 /nfs/dbraw/zinc/05/03/77/270050377.db2.gz HCDZGLOJFWETMO-QGZVFWFLSA-N 2 2 268.404 3.349 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000186574494 270066529 /nfs/dbraw/zinc/06/65/29/270066529.db2.gz INUXQQHCMUDZJV-SJORKVTESA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000186574494 270066530 /nfs/dbraw/zinc/06/65/30/270066530.db2.gz INUXQQHCMUDZJV-SJORKVTESA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000188451551 270069493 /nfs/dbraw/zinc/06/94/93/270069493.db2.gz AJZBKXJEDDTTGS-RDJZCZTQSA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000188451551 270069494 /nfs/dbraw/zinc/06/94/94/270069494.db2.gz AJZBKXJEDDTTGS-RDJZCZTQSA-N 2 2 258.409 3.378 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000224542560 270086624 /nfs/dbraw/zinc/08/66/24/270086624.db2.gz QQVSZOLEFXFRRN-UMVBOHGHSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000224542560 270086625 /nfs/dbraw/zinc/08/66/25/270086625.db2.gz QQVSZOLEFXFRRN-UMVBOHGHSA-N 2 2 276.399 3.410 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC1)Cc1ccccc1 ZINC000236859900 270089446 /nfs/dbraw/zinc/08/94/46/270089446.db2.gz FDGKYJRYCRDDIJ-MAUKXSAKSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000322524130 270094022 /nfs/dbraw/zinc/09/40/22/270094022.db2.gz NBJQCKMMCCQBCN-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000322524130 270094023 /nfs/dbraw/zinc/09/40/23/270094023.db2.gz NBJQCKMMCCQBCN-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000525288348 270118725 /nfs/dbraw/zinc/11/87/25/270118725.db2.gz ZNRYGFOZZZLRSJ-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000525288348 270118726 /nfs/dbraw/zinc/11/87/26/270118726.db2.gz ZNRYGFOZZZLRSJ-HNNXBMFYSA-N 2 2 298.430 3.280 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527907926 270143529 /nfs/dbraw/zinc/14/35/29/270143529.db2.gz CCKKXCURDFAABV-HNNXBMFYSA-N 2 2 283.419 3.403 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527907926 270143530 /nfs/dbraw/zinc/14/35/30/270143530.db2.gz CCKKXCURDFAABV-HNNXBMFYSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527923943 270144380 /nfs/dbraw/zinc/14/43/80/270144380.db2.gz CYFHPSMHXFQUKE-HOTGVXAUSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527948879 270146471 /nfs/dbraw/zinc/14/64/71/270146471.db2.gz MPAUZHIMTFJWSM-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527948879 270146472 /nfs/dbraw/zinc/14/64/72/270146472.db2.gz MPAUZHIMTFJWSM-YJBOKZPZSA-N 2 2 294.483 3.188 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527950764 270146507 /nfs/dbraw/zinc/14/65/07/270146507.db2.gz PDJIEYRTPQJARC-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527950764 270146508 /nfs/dbraw/zinc/14/65/08/270146508.db2.gz PDJIEYRTPQJARC-NVXWUHKLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003553 270150454 /nfs/dbraw/zinc/15/04/54/270150454.db2.gz STFUVOWTXQOMML-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003553 270150455 /nfs/dbraw/zinc/15/04/55/270150455.db2.gz STFUVOWTXQOMML-UKRRQHHQSA-N 2 2 252.446 3.418 20 0 CGADLP C/C(Cl)=C\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387745 270163607 /nfs/dbraw/zinc/16/36/07/270163607.db2.gz MXDVLULBXYEFEI-YGLIYXGISA-N 2 2 256.821 3.079 20 0 CGADLP C/C(Cl)=C\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528387745 270163608 /nfs/dbraw/zinc/16/36/08/270163608.db2.gz MXDVLULBXYEFEI-YGLIYXGISA-N 2 2 256.821 3.079 20 0 CGADLP CC(C)C(C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)C(C)C ZINC000529661900 270187494 /nfs/dbraw/zinc/18/74/94/270187494.db2.gz DHFSFUPSMRTMFM-UHFFFAOYSA-N 2 2 296.499 3.101 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216962 270195874 /nfs/dbraw/zinc/19/58/74/270195874.db2.gz DRFNJNLXGHIPCZ-XJKSGUPXSA-N 2 2 258.409 3.184 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530220407 270196124 /nfs/dbraw/zinc/19/61/24/270196124.db2.gz OALFBDTYAOVOKY-CJNGLKHVSA-N 2 2 274.408 3.021 20 0 CGADLP CC(C)(C)[N@@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000531409357 270206799 /nfs/dbraw/zinc/20/67/99/270206799.db2.gz AVSBNGLMKZTKFS-UHFFFAOYSA-N 2 2 267.804 3.046 20 0 CGADLP CC(C)(C)[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000531409357 270206800 /nfs/dbraw/zinc/20/68/00/270206800.db2.gz AVSBNGLMKZTKFS-UHFFFAOYSA-N 2 2 267.804 3.046 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945257 270210826 /nfs/dbraw/zinc/21/08/26/270210826.db2.gz QDFWHGVXPJZSOC-DOTOQJQBSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945257 270210827 /nfs/dbraw/zinc/21/08/27/270210827.db2.gz QDFWHGVXPJZSOC-DOTOQJQBSA-N 2 2 272.436 3.038 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000531944609 270211008 /nfs/dbraw/zinc/21/10/08/270211008.db2.gz JMZKBHOKGMLYCA-OLMNPRSZSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000531944609 270211009 /nfs/dbraw/zinc/21/10/09/270211009.db2.gz JMZKBHOKGMLYCA-OLMNPRSZSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000531989489 270212454 /nfs/dbraw/zinc/21/24/54/270212454.db2.gz YFYMLSHBGDIEPN-BVGQSLNGSA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000531989489 270212455 /nfs/dbraw/zinc/21/24/55/270212455.db2.gz YFYMLSHBGDIEPN-BVGQSLNGSA-N 2 2 270.420 3.210 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000236072315 287651335 /nfs/dbraw/zinc/65/13/35/287651335.db2.gz QQGGEYVZCVXKKB-AAEUAGOBSA-N 2 2 282.840 3.219 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccnc1 ZINC000375846244 273617614 /nfs/dbraw/zinc/61/76/14/273617614.db2.gz IDTLREDGRKIEPJ-JKSUJKDBSA-N 2 2 284.407 3.287 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)[C@@H]1CCC[NH2+]1 ZINC000422943225 274262885 /nfs/dbraw/zinc/26/28/85/274262885.db2.gz XSNBXHIWAZCOPB-ONERCXAPSA-N 2 2 264.800 3.057 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H](C)[NH+]1C ZINC000338786858 274366554 /nfs/dbraw/zinc/36/65/54/274366554.db2.gz QEFGOFFLWZSBRE-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000090721836 274393080 /nfs/dbraw/zinc/39/30/80/274393080.db2.gz HZXQQYXTVOUHSS-YPMHNXCESA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000090721836 274393081 /nfs/dbraw/zinc/39/30/81/274393081.db2.gz HZXQQYXTVOUHSS-YPMHNXCESA-N 2 2 286.341 3.278 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)CCC2 ZINC000344211528 274824306 /nfs/dbraw/zinc/82/43/06/274824306.db2.gz NKTOBQOFFCQXFM-BMFZPTHFSA-N 2 2 275.440 3.485 20 0 CGADLP Clc1ccc2c(c1)[nH+]ccc2N1CCn2c[nH+]cc2C1 ZINC000377993310 274882710 /nfs/dbraw/zinc/88/27/10/274882710.db2.gz UJBSZNGYSPOMIW-UHFFFAOYSA-N 2 2 284.750 3.105 20 0 CGADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3COc4ccccc43)CC[NH2+]2)cc1 ZINC000415079249 275068272 /nfs/dbraw/zinc/06/82/72/275068272.db2.gz HUMHPUHRFVCAHX-RYQLBKOJSA-N 2 2 294.398 3.203 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000427858659 275073175 /nfs/dbraw/zinc/07/31/75/275073175.db2.gz UFOSCYSOYKXSFA-OKZBNKHCSA-N 2 2 295.430 3.199 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494402649 275741166 /nfs/dbraw/zinc/74/11/66/275741166.db2.gz FSAMPVJFJQNYKN-MRXNPFEDSA-N 2 2 269.392 3.111 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659981 276012064 /nfs/dbraw/zinc/01/20/64/276012064.db2.gz FUGAQJGJFVCCGG-AWEZNQCLSA-N 2 2 257.381 3.219 20 0 CGADLP CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659981 276012066 /nfs/dbraw/zinc/01/20/66/276012066.db2.gz FUGAQJGJFVCCGG-AWEZNQCLSA-N 2 2 257.381 3.219 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000479443779 276181138 /nfs/dbraw/zinc/18/11/38/276181138.db2.gz ZVDRZWFJKCMQBM-QBYUYEEZSA-N 2 2 262.441 3.194 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000479443779 276181140 /nfs/dbraw/zinc/18/11/40/276181140.db2.gz ZVDRZWFJKCMQBM-QBYUYEEZSA-N 2 2 262.441 3.194 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094436 276373458 /nfs/dbraw/zinc/37/34/58/276373458.db2.gz RXLKDHYVEPHETC-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453094436 276373459 /nfs/dbraw/zinc/37/34/59/276373459.db2.gz RXLKDHYVEPHETC-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250240 277177386 /nfs/dbraw/zinc/17/73/86/277177386.db2.gz BRQIWGWVAOZNEE-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250240 277177388 /nfs/dbraw/zinc/17/73/88/277177388.db2.gz BRQIWGWVAOZNEE-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250240 277177389 /nfs/dbraw/zinc/17/73/89/277177389.db2.gz BRQIWGWVAOZNEE-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250240 277177391 /nfs/dbraw/zinc/17/73/91/277177391.db2.gz BRQIWGWVAOZNEE-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840332 277182849 /nfs/dbraw/zinc/18/28/49/277182849.db2.gz JKJHMDQYFSGCSI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840332 277182850 /nfs/dbraw/zinc/18/28/50/277182850.db2.gz JKJHMDQYFSGCSI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840332 277182851 /nfs/dbraw/zinc/18/28/51/277182851.db2.gz JKJHMDQYFSGCSI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(F)cc2Cl)C1 ZINC000339840332 277182853 /nfs/dbraw/zinc/18/28/53/277182853.db2.gz JKJHMDQYFSGCSI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000318338837 287944159 /nfs/dbraw/zinc/94/41/59/287944159.db2.gz ASPMCTQHCPVJAB-KBRIMQKVSA-N 2 2 299.418 3.336 20 0 CGADLP CC(C)C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCc2cccnc21 ZINC000126977848 277380505 /nfs/dbraw/zinc/38/05/05/277380505.db2.gz HVJJVOCYLAGOFP-QGZVFWFLSA-N 2 2 298.434 3.314 20 0 CGADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCc2cccnc21 ZINC000126977848 277380506 /nfs/dbraw/zinc/38/05/06/277380506.db2.gz HVJJVOCYLAGOFP-QGZVFWFLSA-N 2 2 298.434 3.314 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000393807382 288000901 /nfs/dbraw/zinc/00/09/01/288000901.db2.gz XJMJFEXWSFQHMH-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000393807382 288000903 /nfs/dbraw/zinc/00/09/03/288000903.db2.gz XJMJFEXWSFQHMH-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397872983 288033506 /nfs/dbraw/zinc/03/35/06/288033506.db2.gz ISYBWTVHGSMWCW-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397872983 288033508 /nfs/dbraw/zinc/03/35/08/288033508.db2.gz ISYBWTVHGSMWCW-JZXOWHBKSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449258439 278388344 /nfs/dbraw/zinc/38/83/44/278388344.db2.gz MWVLAYSWWGJRCC-KBXIAJHMSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000068616576 278580047 /nfs/dbraw/zinc/58/00/47/278580047.db2.gz AMYPFEFPARGSFG-BFYDXBDKSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423055128 288063083 /nfs/dbraw/zinc/06/30/83/288063083.db2.gz CSVVBOWLKWFHCC-SMDDNHRTSA-N 2 2 286.341 3.244 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(F)c1 ZINC000446886384 288066684 /nfs/dbraw/zinc/06/66/84/288066684.db2.gz FYBWGXBNDSXHAA-VBNZEHGJSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(F)c1 ZINC000446886384 288066694 /nfs/dbraw/zinc/06/66/94/288066694.db2.gz FYBWGXBNDSXHAA-VBNZEHGJSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(C)ccc1OC ZINC000423548536 288087796 /nfs/dbraw/zinc/08/77/96/288087796.db2.gz GRLNGWBSCOWNNV-HOCLYGCPSA-N 2 2 276.424 3.186 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000358014105 288098962 /nfs/dbraw/zinc/09/89/62/288098962.db2.gz BNEAGLMKWMAHEM-XOKHGSTOSA-N 2 2 272.436 3.339 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000358014105 288098963 /nfs/dbraw/zinc/09/89/63/288098963.db2.gz BNEAGLMKWMAHEM-XOKHGSTOSA-N 2 2 272.436 3.339 20 0 CGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423175196 279061958 /nfs/dbraw/zinc/06/19/58/279061958.db2.gz DIVGOKUOQSKBHK-LLVKDONJSA-N 2 2 275.421 3.036 20 0 CGADLP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCC[NH3+] ZINC000414753441 279128661 /nfs/dbraw/zinc/12/86/61/279128661.db2.gz MKUBKQCVGGPBNY-SECBINFHSA-N 2 2 273.207 3.261 20 0 CGADLP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCC[NH3+] ZINC000414753441 279128662 /nfs/dbraw/zinc/12/86/62/279128662.db2.gz MKUBKQCVGGPBNY-SECBINFHSA-N 2 2 273.207 3.261 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1c(Cl)ccc2cccnc21)C1CC1 ZINC000430572948 279149057 /nfs/dbraw/zinc/14/90/57/279149057.db2.gz KZXFOKRBEJGLIL-INIZCTEOSA-N 2 2 289.810 3.105 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1)C1CC1 ZINC000482102582 288111375 /nfs/dbraw/zinc/11/13/75/288111375.db2.gz SXZDXGIQMVLSIC-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1)C1CC1 ZINC000482102582 288111377 /nfs/dbraw/zinc/11/13/77/288111377.db2.gz SXZDXGIQMVLSIC-IBGZPJMESA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353243022 279275617 /nfs/dbraw/zinc/27/56/17/279275617.db2.gz KGMTZUGTMHKQJS-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353243022 279275618 /nfs/dbraw/zinc/27/56/18/279275618.db2.gz KGMTZUGTMHKQJS-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249042279 279315007 /nfs/dbraw/zinc/31/50/07/279315007.db2.gz VBOVQGAGDOCHMP-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000249042279 279315008 /nfs/dbraw/zinc/31/50/08/279315008.db2.gz VBOVQGAGDOCHMP-PBHICJAKSA-N 2 2 273.424 3.007 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)[N@H+](C)C1CC1 ZINC000510666601 279348350 /nfs/dbraw/zinc/34/83/50/279348350.db2.gz PVYCYPAOBCCWPX-QWHCGFSZSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)[N@@H+](C)C1CC1 ZINC000510666601 279348355 /nfs/dbraw/zinc/34/83/55/279348355.db2.gz PVYCYPAOBCCWPX-QWHCGFSZSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2sccc21 ZINC000061327989 279388632 /nfs/dbraw/zinc/38/86/32/279388632.db2.gz GJULPZCWPDEHOF-DGCLKSJQSA-N 2 2 261.394 3.000 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Cl ZINC000423384042 279514769 /nfs/dbraw/zinc/51/47/69/279514769.db2.gz PXYPYNXNAYNABC-JFGNBEQYSA-N 2 2 270.779 3.270 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000527629706 288177055 /nfs/dbraw/zinc/17/70/55/288177055.db2.gz OOCABQHPIWPFQX-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccnc(C)c2)[NH+](C)C)cc1 ZINC000527648463 288181682 /nfs/dbraw/zinc/18/16/82/288181682.db2.gz FUZLFZAFGDLLJF-GOSISDBHSA-N 2 2 283.419 3.091 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@@H+]1C ZINC000344328574 280119232 /nfs/dbraw/zinc/11/92/32/280119232.db2.gz QTWVQSDDPKBKLF-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CCC[N@H+]1C ZINC000344328574 280119233 /nfs/dbraw/zinc/11/92/33/280119233.db2.gz QTWVQSDDPKBKLF-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCC[NH3+] ZINC000414753442 280121897 /nfs/dbraw/zinc/12/18/97/280121897.db2.gz MKUBKQCVGGPBNY-VIFPVBQESA-N 2 2 273.207 3.261 20 0 CGADLP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCC[NH3+] ZINC000414753442 280121899 /nfs/dbraw/zinc/12/18/99/280121899.db2.gz MKUBKQCVGGPBNY-VIFPVBQESA-N 2 2 273.207 3.261 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000430699921 280329354 /nfs/dbraw/zinc/32/93/54/280329354.db2.gz QPTRFCIDZKMYLF-QZLJAVCYSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000430699921 280329358 /nfs/dbraw/zinc/32/93/58/280329358.db2.gz QPTRFCIDZKMYLF-QZLJAVCYSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000430696614 280329771 /nfs/dbraw/zinc/32/97/71/280329771.db2.gz QJEMMWVJIQMRIY-DSJMHWKBSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000430696614 280329772 /nfs/dbraw/zinc/32/97/72/280329772.db2.gz QJEMMWVJIQMRIY-DSJMHWKBSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[NH+]1CCC(C)CC1 ZINC000529539162 288260586 /nfs/dbraw/zinc/26/05/86/288260586.db2.gz TXAKCWQOBYJWDF-OLZOCXBDSA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CC3 ZINC000180239207 281034913 /nfs/dbraw/zinc/03/49/13/281034913.db2.gz CXMBBLXRMKUGHR-HUUCEWRRSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CC3 ZINC000180239207 281034914 /nfs/dbraw/zinc/03/49/14/281034914.db2.gz CXMBBLXRMKUGHR-HUUCEWRRSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@H]([NH+]4CC=CC4)C3)[nH+]c2c1 ZINC000460947510 281042041 /nfs/dbraw/zinc/04/20/41/281042041.db2.gz FYWQBULWCMECCX-INIZCTEOSA-N 2 2 293.414 3.302 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532203401 288355483 /nfs/dbraw/zinc/35/54/83/288355483.db2.gz SFJMKDJMXVAUQT-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532203401 288355485 /nfs/dbraw/zinc/35/54/85/288355485.db2.gz SFJMKDJMXVAUQT-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239677 288357358 /nfs/dbraw/zinc/35/73/58/288357358.db2.gz WAZIPGGECDPVPA-DLBZAZTESA-N 2 2 274.452 3.248 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239677 288357362 /nfs/dbraw/zinc/35/73/62/288357362.db2.gz WAZIPGGECDPVPA-DLBZAZTESA-N 2 2 274.452 3.248 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000532492432 288365072 /nfs/dbraw/zinc/36/50/72/288365072.db2.gz SBPMPXYOKZAGSJ-HOCLYGCPSA-N 2 2 252.446 3.131 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865543 288396402 /nfs/dbraw/zinc/39/64/02/288396402.db2.gz PZPHNSLBMBPFIX-ZBFHGGJFSA-N 2 2 287.382 3.500 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865543 288396404 /nfs/dbraw/zinc/39/64/04/288396404.db2.gz PZPHNSLBMBPFIX-ZBFHGGJFSA-N 2 2 287.382 3.500 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549523427 289045454 /nfs/dbraw/zinc/04/54/54/289045454.db2.gz SEORFKIEJKRXTB-SZMVWBNQSA-N 2 2 283.419 3.445 20 0 CGADLP C(C[N@@H+]1CC[C@@H](CC2CC2)C1)[NH+]1CC[C@@H](CC2CC2)C1 ZINC000550032520 289065124 /nfs/dbraw/zinc/06/51/24/289065124.db2.gz PJVZZTCURIUUDG-ROUUACIJSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@@H](CC2CC2)C1)[NH+]1CC[C@@H](CC2CC2)C1 ZINC000550032520 289065128 /nfs/dbraw/zinc/06/51/28/289065128.db2.gz PJVZZTCURIUUDG-ROUUACIJSA-N 2 2 276.468 3.230 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000551536376 289121245 /nfs/dbraw/zinc/12/12/45/289121245.db2.gz LYCHRNYXHSYWKA-UHFFFAOYSA-N 2 2 298.515 3.394 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000552051781 289155712 /nfs/dbraw/zinc/15/57/12/289155712.db2.gz GJLDWWIWIJFPPW-JYJNAYRXSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000552051781 289155714 /nfs/dbraw/zinc/15/57/14/289155714.db2.gz GJLDWWIWIJFPPW-JYJNAYRXSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000552083835 289161133 /nfs/dbraw/zinc/16/11/33/289161133.db2.gz ZQBMNNVPJHUFJX-VMBOVVBDSA-N 2 2 258.409 3.491 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554086710 289256729 /nfs/dbraw/zinc/25/67/29/289256729.db2.gz OEJXVHULQOQTRW-MNOVXSKESA-N 2 2 274.861 3.262 20 0 CGADLP CC(C)C(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000554744886 289307586 /nfs/dbraw/zinc/30/75/86/289307586.db2.gz APBAIYWPFIANIP-UHFFFAOYSA-N 2 2 263.410 3.458 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000557349389 289437641 /nfs/dbraw/zinc/43/76/41/289437641.db2.gz AMEOALZKPBKZKU-UHFFFAOYSA-N 2 2 299.418 3.080 20 0 CGADLP CC1=CC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000559906130 289561213 /nfs/dbraw/zinc/56/12/13/289561213.db2.gz SKMZPFAOSLVMBP-SFHVURJKSA-N 2 2 284.447 3.174 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]CCCc1c(F)cccc1Cl ZINC000560022733 289566785 /nfs/dbraw/zinc/56/67/85/289566785.db2.gz XYNAZLHQCZJTBB-UHFFFAOYSA-N 2 2 286.822 3.342 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000560233691 289577630 /nfs/dbraw/zinc/57/76/30/289577630.db2.gz QMVWZJAAJGOZAA-BPUTZDHNSA-N 2 2 260.425 3.456 20 0 CGADLP [NH3+][C@H]1CCC[C@H](CNc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000561267630 289631320 /nfs/dbraw/zinc/63/13/20/289631320.db2.gz OOKSYFREMDXZEE-RYUDHWBXSA-N 2 2 295.390 3.041 20 0 CGADLP Cc1csc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093516627 293061558 /nfs/dbraw/zinc/06/15/58/293061558.db2.gz GLSUJDWVJWCORF-UBHSHLNASA-N 2 2 281.469 3.413 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888677 294131271 /nfs/dbraw/zinc/13/12/71/294131271.db2.gz ADMBYKIMOLQVLG-IRXDYDNUSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888677 294131274 /nfs/dbraw/zinc/13/12/74/294131274.db2.gz ADMBYKIMOLQVLG-IRXDYDNUSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450888677 294131276 /nfs/dbraw/zinc/13/12/76/294131276.db2.gz ADMBYKIMOLQVLG-IRXDYDNUSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450888677 294131278 /nfs/dbraw/zinc/13/12/78/294131278.db2.gz ADMBYKIMOLQVLG-IRXDYDNUSA-N 2 2 282.472 3.140 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@@H+]1C ZINC000130068139 297286827 /nfs/dbraw/zinc/28/68/27/297286827.db2.gz XCMBBPJGCWWUGF-TYNCELHUSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)CC[N@H+]1C ZINC000130068139 297286830 /nfs/dbraw/zinc/28/68/30/297286830.db2.gz XCMBBPJGCWWUGF-TYNCELHUSA-N 2 2 294.439 3.435 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000443195520 302208913 /nfs/dbraw/zinc/20/89/13/302208913.db2.gz KYEOJPLRXNEKMD-DZKIICNBSA-N 2 2 278.465 3.081 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ncc(Cl)s1)CC1CCCC1 ZINC000352540339 303378182 /nfs/dbraw/zinc/37/81/82/303378182.db2.gz JYCNTPMHTLEYBF-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ncc(Cl)s1)CC1CCCC1 ZINC000352540339 303378184 /nfs/dbraw/zinc/37/81/84/303378184.db2.gz JYCNTPMHTLEYBF-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)n1C ZINC000563442128 321998653 /nfs/dbraw/zinc/99/86/53/321998653.db2.gz XBBUORFUZQUNPQ-UHFFFAOYSA-N 2 2 283.297 3.037 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000563778271 322009555 /nfs/dbraw/zinc/00/95/55/322009555.db2.gz RBMKDSOPXRCOIR-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000563778271 322009558 /nfs/dbraw/zinc/00/95/58/322009558.db2.gz RBMKDSOPXRCOIR-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP CC(C)c1nc(N2CCC[C@@H](C[NH3+])C2)cc(C(C)(C)C)[nH+]1 ZINC000564787788 322042947 /nfs/dbraw/zinc/04/29/47/322042947.db2.gz CVVQBOCNIXIUDI-ZDUSSCGKSA-N 2 2 290.455 3.073 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1c[nH+]ccc1N ZINC000564823007 322045051 /nfs/dbraw/zinc/04/50/51/322045051.db2.gz POFSIXBLSJSGPX-NSHDSACASA-N 2 2 285.366 3.361 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565153375 322062998 /nfs/dbraw/zinc/06/29/98/322062998.db2.gz QDQPJLAATSVWQF-YOEHRIQHSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565153375 322062999 /nfs/dbraw/zinc/06/29/99/322062999.db2.gz QDQPJLAATSVWQF-YOEHRIQHSA-N 2 2 290.426 3.363 20 0 CGADLP c1c[nH+]c(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH]1 ZINC000565471104 322079191 /nfs/dbraw/zinc/07/91/91/322079191.db2.gz YGNBBORTXQNFGO-UHFFFAOYSA-N 2 2 281.363 3.098 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccncc1C)[NH+](C)C ZINC000565756233 322089963 /nfs/dbraw/zinc/08/99/63/322089963.db2.gz NBHZXSPVFWCOPK-LPHOPBHVSA-N 2 2 297.446 3.479 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000566614174 322131390 /nfs/dbraw/zinc/13/13/90/322131390.db2.gz SFUQDJSNXKQAMQ-ZZCKCESHSA-N 2 2 298.430 3.451 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000567242400 322155740 /nfs/dbraw/zinc/15/57/40/322155740.db2.gz XAUVQKIOHJQULF-AWEZNQCLSA-N 2 2 293.480 3.423 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1noc2ccccc12 ZINC000568768108 322222342 /nfs/dbraw/zinc/22/23/42/322222342.db2.gz GLMLMHSLCMXRLP-KGLIPLIRSA-N 2 2 287.407 3.228 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000569335981 322244073 /nfs/dbraw/zinc/24/40/73/322244073.db2.gz KVHDOTORABFTSJ-CLCXKQKWSA-N 2 2 296.414 3.475 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)n1C ZINC000569504765 322249234 /nfs/dbraw/zinc/24/92/34/322249234.db2.gz XWPZHUWUMRHAAU-BZNIZROVSA-N 2 2 289.810 3.407 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000570201033 322267463 /nfs/dbraw/zinc/26/74/63/322267463.db2.gz GXGAYBPWMKYEPG-OAHLLOKOSA-N 2 2 286.423 3.451 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000570203786 322267684 /nfs/dbraw/zinc/26/76/84/322267684.db2.gz KETVOGZDTMZWHI-SRXBQZRASA-N 2 2 266.816 3.283 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000570222448 322268064 /nfs/dbraw/zinc/26/80/64/322268064.db2.gz OATZLNZGNLIVTB-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000570222448 322268065 /nfs/dbraw/zinc/26/80/65/322268065.db2.gz OATZLNZGNLIVTB-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570556234 322276404 /nfs/dbraw/zinc/27/64/04/322276404.db2.gz WRTHCRHWNYKRQQ-ZBFHGGJFSA-N 2 2 283.419 3.126 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570556234 322276405 /nfs/dbraw/zinc/27/64/05/322276405.db2.gz WRTHCRHWNYKRQQ-ZBFHGGJFSA-N 2 2 283.419 3.126 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)n1C ZINC000571299804 322295182 /nfs/dbraw/zinc/29/51/82/322295182.db2.gz ZGXZTFXFRQYCOR-IAGOWNOFSA-N 2 2 283.419 3.258 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000571665452 322304833 /nfs/dbraw/zinc/30/48/33/322304833.db2.gz FFUPQIAGKHPCII-CYBMUJFWSA-N 2 2 284.394 3.217 20 0 CGADLP CC(C)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000573157123 322373017 /nfs/dbraw/zinc/37/30/17/322373017.db2.gz BBMYCISKHVCLAK-UHFFFAOYSA-N 2 2 261.413 3.394 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000573323327 322382152 /nfs/dbraw/zinc/38/21/52/322382152.db2.gz CACANLRXGBPWFF-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000573323327 322382155 /nfs/dbraw/zinc/38/21/55/322382155.db2.gz CACANLRXGBPWFF-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000573482400 322389888 /nfs/dbraw/zinc/38/98/88/322389888.db2.gz BTEDFWLNUCZVTM-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000573482400 322389890 /nfs/dbraw/zinc/38/98/90/322389890.db2.gz BTEDFWLNUCZVTM-QGZVFWFLSA-N 2 2 287.382 3.119 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000573863531 322411080 /nfs/dbraw/zinc/41/10/80/322411080.db2.gz YDMIBOSNYHFDBW-GFCCVEGCSA-N 2 2 279.409 3.084 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000584199357 327063175 /nfs/dbraw/zinc/06/31/75/327063175.db2.gz CTMYUOBVWBIOLA-OCCSQVGLSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1 ZINC000584199357 327063176 /nfs/dbraw/zinc/06/31/76/327063176.db2.gz CTMYUOBVWBIOLA-OCCSQVGLSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000584199357 327063177 /nfs/dbraw/zinc/06/31/77/327063177.db2.gz CTMYUOBVWBIOLA-OCCSQVGLSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000584199357 327063178 /nfs/dbraw/zinc/06/31/78/327063178.db2.gz CTMYUOBVWBIOLA-OCCSQVGLSA-N 2 2 281.469 3.039 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000395181827 329278482 /nfs/dbraw/zinc/27/84/82/329278482.db2.gz NTCBVNRWPLANEF-INIZCTEOSA-N 2 2 272.436 3.082 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000395181827 329278483 /nfs/dbraw/zinc/27/84/83/329278483.db2.gz NTCBVNRWPLANEF-INIZCTEOSA-N 2 2 272.436 3.082 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000577170030 335313951 /nfs/dbraw/zinc/31/39/51/335313951.db2.gz UJRVVKFROIHVFT-BBRMVZONSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(F)c1 ZINC000577170030 335313953 /nfs/dbraw/zinc/31/39/53/335313953.db2.gz UJRVVKFROIHVFT-BBRMVZONSA-N 2 2 264.388 3.208 20 0 CGADLP CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000579223562 335722929 /nfs/dbraw/zinc/72/29/29/335722929.db2.gz BFPDUEFDDRACBH-BPQIPLTHSA-N 2 2 292.467 3.065 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000381092527 336049835 /nfs/dbraw/zinc/04/98/35/336049835.db2.gz XCUBCIADNPGQCH-YQQAZPJKSA-N 2 2 260.425 3.428 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000381092527 336049836 /nfs/dbraw/zinc/04/98/36/336049836.db2.gz XCUBCIADNPGQCH-YQQAZPJKSA-N 2 2 260.425 3.428 20 0 CGADLP C[C@@H](C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000384322730 336123622 /nfs/dbraw/zinc/12/36/22/336123622.db2.gz PYOXFTGBUZOBBT-HNAYVOBHSA-N 2 2 280.415 3.348 20 0 CGADLP C[C@@H](C[N@H+]1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000384322730 336123623 /nfs/dbraw/zinc/12/36/23/336123623.db2.gz PYOXFTGBUZOBBT-HNAYVOBHSA-N 2 2 280.415 3.348 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000581864166 336153957 /nfs/dbraw/zinc/15/39/57/336153957.db2.gz VLTFSEGJVHDIRA-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000581864166 336153958 /nfs/dbraw/zinc/15/39/58/336153958.db2.gz VLTFSEGJVHDIRA-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCNc3ccccc32)c[nH+]1 ZINC000581911303 336164575 /nfs/dbraw/zinc/16/45/75/336164575.db2.gz NHSAOTWAVRYEOO-KRWDZBQOSA-N 2 2 284.407 3.200 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000386100687 336166313 /nfs/dbraw/zinc/16/63/13/336166313.db2.gz JRBVVWIASITRMW-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000386157467 336166934 /nfs/dbraw/zinc/16/69/34/336166934.db2.gz UCCZJNMXVPSLBD-HOCLYGCPSA-N 2 2 288.439 3.014 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388209 336193461 /nfs/dbraw/zinc/19/34/61/336193461.db2.gz HXPFQHIDIKGRAO-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000387388209 336193462 /nfs/dbraw/zinc/19/34/62/336193462.db2.gz HXPFQHIDIKGRAO-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000049526033 521953406 /nfs/dbraw/zinc/95/34/06/521953406.db2.gz YFDLRMRWEUYORK-LLVKDONJSA-N 2 2 252.789 3.085 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CCC[N@H+](C)[C@@H]3C)cccc12 ZINC000449233226 533839762 /nfs/dbraw/zinc/83/97/62/533839762.db2.gz KPGILTQZCBKOCC-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cccc2c(C[NH2+][C@H]3CCC[N@@H+](C)[C@@H]3C)cccc12 ZINC000449233226 533839771 /nfs/dbraw/zinc/83/97/71/533839771.db2.gz KPGILTQZCBKOCC-KDOFPFPSSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1C[C@H]1C ZINC000414062221 533876038 /nfs/dbraw/zinc/87/60/38/533876038.db2.gz LAZDATBIKPCVOS-VYDXJSESSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423313097 533896648 /nfs/dbraw/zinc/89/66/48/533896648.db2.gz FANDNKQZKOLECZ-SDBXPKJASA-N 2 2 273.207 3.381 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000449131995 533897436 /nfs/dbraw/zinc/89/74/36/533897436.db2.gz QVDFJHLDKDLVCW-MRXNPFEDSA-N 2 2 296.414 3.175 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc2ccccc21 ZINC000449131995 533897442 /nfs/dbraw/zinc/89/74/42/533897442.db2.gz QVDFJHLDKDLVCW-MRXNPFEDSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(F)cc(F)c1 ZINC000423231281 533897608 /nfs/dbraw/zinc/89/76/08/533897608.db2.gz ASBCXKMDZBOKKO-ZBEGNZNMSA-N 2 2 276.330 3.315 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000425365371 533989876 /nfs/dbraw/zinc/98/98/76/533989876.db2.gz YCCJRUYFLQIASY-IXDOHACOSA-N 2 2 290.476 3.135 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000425365371 533989880 /nfs/dbraw/zinc/98/98/80/533989880.db2.gz YCCJRUYFLQIASY-IXDOHACOSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(C2CC2)c1 ZINC000423375911 533991956 /nfs/dbraw/zinc/99/19/56/533991956.db2.gz YBQCRTNJKZHYND-GDZNZVCISA-N 2 2 258.409 3.213 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437082529 534000335 /nfs/dbraw/zinc/00/03/35/534000335.db2.gz BXCHPHWZRMUTLT-CYBMUJFWSA-N 2 2 266.454 3.143 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC(C)(C)[NH+](C)C ZINC000449065427 534163146 /nfs/dbraw/zinc/16/31/46/534163146.db2.gz UKJCRONUYQHSOP-CYBMUJFWSA-N 2 2 274.408 3.294 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@@H]3C)on2)cc1 ZINC000420380704 534183603 /nfs/dbraw/zinc/18/36/03/534183603.db2.gz YPOHJLXVUDDPMM-HBUWYVDXSA-N 2 2 299.418 3.126 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000436287119 534200586 /nfs/dbraw/zinc/20/05/86/534200586.db2.gz SDXQOMISQKQRFE-CXAGYDPISA-N 2 2 290.476 3.023 20 0 CGADLP CSc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000436287119 534200590 /nfs/dbraw/zinc/20/05/90/534200590.db2.gz SDXQOMISQKQRFE-CXAGYDPISA-N 2 2 290.476 3.023 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423252274 534226529 /nfs/dbraw/zinc/22/65/29/534226529.db2.gz XGXCLRYNDZSUNU-YOEHRIQHSA-N 2 2 254.377 3.346 20 0 CGADLP Cc1cc(C)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796250 518186853 /nfs/dbraw/zinc/18/68/53/518186853.db2.gz DBZACVQHDDXDHQ-UHFFFAOYSA-N 2 2 269.392 3.337 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000108369866 519719359 /nfs/dbraw/zinc/71/93/59/519719359.db2.gz ZWCGTAAPHRHUOJ-UHFFFAOYSA-N 2 2 298.377 3.250 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069596 534465220 /nfs/dbraw/zinc/46/52/20/534465220.db2.gz PELPXLLXNMEZDC-OAHLLOKOSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423235632 534481068 /nfs/dbraw/zinc/48/10/68/534481068.db2.gz GTCXJVDYHGJINI-TZMCWYRMSA-N 2 2 260.406 3.407 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)c1 ZINC000424170854 534506688 /nfs/dbraw/zinc/50/66/88/534506688.db2.gz JXWJMLRMTQZDCB-HKUYNNGSSA-N 2 2 299.462 3.072 20 0 CGADLP CC[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000088296584 522019032 /nfs/dbraw/zinc/01/90/32/522019032.db2.gz HRNSIUBRZNLIPU-HUUCEWRRSA-N 2 2 275.440 3.465 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cn1 ZINC000161802469 522559721 /nfs/dbraw/zinc/55/97/21/522559721.db2.gz YNUAEVCFGJQUKZ-HNNXBMFYSA-N 2 2 279.403 3.134 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151358804 522881160 /nfs/dbraw/zinc/88/11/60/522881160.db2.gz KMCZETBNDIFLAT-QGZVFWFLSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1Br ZINC000049553138 524170943 /nfs/dbraw/zinc/17/09/43/524170943.db2.gz DFELLSHMJDZFRO-VXGBXAGGSA-N 2 2 299.256 3.440 20 0 CGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000157684387 524541223 /nfs/dbraw/zinc/54/12/23/524541223.db2.gz MCECYFCRVNWQMS-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000157684387 524541229 /nfs/dbraw/zinc/54/12/29/524541229.db2.gz MCECYFCRVNWQMS-KRWDZBQOSA-N 2 2 295.430 3.491 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157261105 524782085 /nfs/dbraw/zinc/78/20/85/524782085.db2.gz RLRDINVSXCNWMS-AFAVFJNCSA-N 2 2 282.387 3.491 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000368565826 534845069 /nfs/dbraw/zinc/84/50/69/534845069.db2.gz FXDXLRPIPRHYGZ-SFHVURJKSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000368565826 534845070 /nfs/dbraw/zinc/84/50/70/534845070.db2.gz FXDXLRPIPRHYGZ-SFHVURJKSA-N 2 2 298.434 3.202 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nccs1 ZINC000086510124 525334446 /nfs/dbraw/zinc/33/44/46/525334446.db2.gz GRVIWOHLBOXTCP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nccs1 ZINC000086510124 525334460 /nfs/dbraw/zinc/33/44/60/525334460.db2.gz GRVIWOHLBOXTCP-ZDUSSCGKSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000183564853 525349982 /nfs/dbraw/zinc/34/99/82/525349982.db2.gz YFPLMTHPRUWYHE-INIZCTEOSA-N 2 2 298.434 3.009 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000365610093 526774611 /nfs/dbraw/zinc/77/46/11/526774611.db2.gz CEPWZLPNANTGJF-MRXNPFEDSA-N 2 2 297.446 3.397 20 0 CGADLP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000365610093 526774615 /nfs/dbraw/zinc/77/46/15/526774615.db2.gz CEPWZLPNANTGJF-MRXNPFEDSA-N 2 2 297.446 3.397 20 0 CGADLP C(C[C@H]1CCOC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000443064843 527489278 /nfs/dbraw/zinc/48/92/78/527489278.db2.gz DESDCVYOBFEINJ-KRWDZBQOSA-N 2 2 294.483 3.049 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC000176000409 527806052 /nfs/dbraw/zinc/80/60/52/527806052.db2.gz AWCBPCGCBLPPOA-RHSMWYFYSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)[C@H](C)C1 ZINC000176000409 527806056 /nfs/dbraw/zinc/80/60/56/527806056.db2.gz AWCBPCGCBLPPOA-RHSMWYFYSA-N 2 2 299.418 3.162 20 0 CGADLP CC(C)OC1CC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000428089772 527882786 /nfs/dbraw/zinc/88/27/86/527882786.db2.gz HQFJGOHQAGQRTP-IWCVFHTOSA-N 2 2 290.451 3.223 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000358165765 528116549 /nfs/dbraw/zinc/11/65/49/528116549.db2.gz ORJILNONSDKUDK-QZTJIDSGSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000358165765 528116553 /nfs/dbraw/zinc/11/65/53/528116553.db2.gz ORJILNONSDKUDK-QZTJIDSGSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000358125880 528118337 /nfs/dbraw/zinc/11/83/37/528118337.db2.gz AMAHTDCGWXHPHE-UHFFFAOYSA-N 2 2 264.800 3.082 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000358125880 528118342 /nfs/dbraw/zinc/11/83/42/528118342.db2.gz AMAHTDCGWXHPHE-UHFFFAOYSA-N 2 2 264.800 3.082 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cs1 ZINC000423350060 528301232 /nfs/dbraw/zinc/30/12/32/528301232.db2.gz WSUZSMTZHXNWNH-DOMZBBRYSA-N 2 2 281.469 3.307 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423268617 528310477 /nfs/dbraw/zinc/31/04/77/528310477.db2.gz UWFVWAJKFGFOGJ-ZFWWWQNUSA-N 2 2 278.444 3.022 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423375282 528422324 /nfs/dbraw/zinc/42/23/24/528422324.db2.gz ILOMQHSNUHFUAC-RISCZKNCSA-N 2 2 299.256 3.488 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423379159 528422526 /nfs/dbraw/zinc/42/25/26/528422526.db2.gz LUDBFQGSRTVFKM-NEPJUHHUSA-N 2 2 276.380 3.090 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110332 528491441 /nfs/dbraw/zinc/49/14/41/528491441.db2.gz LWXYNULHEPZLEX-QGZVFWFLSA-N 2 2 292.442 3.467 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000423313536 528516099 /nfs/dbraw/zinc/51/60/99/528516099.db2.gz UQELUBGSWNOHNE-CQSZACIVSA-N 2 2 286.419 3.499 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000359315222 528585665 /nfs/dbraw/zinc/58/56/65/528585665.db2.gz QRDMQVXRAMEYEC-QGZVFWFLSA-N 2 2 284.407 3.266 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423237158 528589277 /nfs/dbraw/zinc/58/92/77/528589277.db2.gz PJRAJWKKFLZMEJ-SWLSCSKDSA-N 2 2 268.351 3.004 20 0 CGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000424158643 528625860 /nfs/dbraw/zinc/62/58/60/528625860.db2.gz RLYIJKBYQDTPIH-OAHLLOKOSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000424158643 528625864 /nfs/dbraw/zinc/62/58/64/528625864.db2.gz RLYIJKBYQDTPIH-OAHLLOKOSA-N 2 2 292.471 3.064 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000479441585 528638997 /nfs/dbraw/zinc/63/89/97/528638997.db2.gz UUHXOXMZGMUYSH-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000479441585 528639000 /nfs/dbraw/zinc/63/90/00/528639000.db2.gz UUHXOXMZGMUYSH-KSSFIOAISA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1csc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)n1 ZINC000426416438 528658563 /nfs/dbraw/zinc/65/85/63/528658563.db2.gz IPDQHTIMNXTNQB-ZFWWWQNUSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)n1 ZINC000426416438 528658564 /nfs/dbraw/zinc/65/85/64/528658564.db2.gz IPDQHTIMNXTNQB-ZFWWWQNUSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)n1 ZINC000426416438 528658566 /nfs/dbraw/zinc/65/85/66/528658566.db2.gz IPDQHTIMNXTNQB-ZFWWWQNUSA-N 2 2 295.496 3.258 20 0 CGADLP CCCc1csc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000426416438 528658572 /nfs/dbraw/zinc/65/85/72/528658572.db2.gz IPDQHTIMNXTNQB-ZFWWWQNUSA-N 2 2 295.496 3.258 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1OCCC ZINC000423380911 528720947 /nfs/dbraw/zinc/72/09/47/528720947.db2.gz ZDROQERMFVJKNL-UONOGXRCSA-N 2 2 294.439 3.262 20 0 CGADLP CC(F)(F)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449355309 528730229 /nfs/dbraw/zinc/73/02/29/528730229.db2.gz XWODVKRLPLYJBT-UHFFFAOYSA-N 2 2 271.336 3.069 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436250571 528823552 /nfs/dbraw/zinc/82/35/52/528823552.db2.gz HBTRRFONSGKKET-IAGOWNOFSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436250571 528823555 /nfs/dbraw/zinc/82/35/55/528823555.db2.gz HBTRRFONSGKKET-IAGOWNOFSA-N 2 2 260.425 3.253 20 0 CGADLP CCOC[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152979396 528976502 /nfs/dbraw/zinc/97/65/02/528976502.db2.gz RVDNJMODMXYNNJ-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152979396 528976505 /nfs/dbraw/zinc/97/65/05/528976505.db2.gz RVDNJMODMXYNNJ-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449059206 529080497 /nfs/dbraw/zinc/08/04/97/529080497.db2.gz OSSDUVJPRFJVHU-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449059206 529080499 /nfs/dbraw/zinc/08/04/99/529080499.db2.gz OSSDUVJPRFJVHU-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000423243640 529121628 /nfs/dbraw/zinc/12/16/28/529121628.db2.gz WRJRPELZUMLLDG-YOEHRIQHSA-N 2 2 272.392 3.472 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000449158087 529155517 /nfs/dbraw/zinc/15/55/17/529155517.db2.gz XSCFSBBPHQYSDS-QGZVFWFLSA-N 2 2 296.499 3.434 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000364956892 529168419 /nfs/dbraw/zinc/16/84/19/529168419.db2.gz QFUDDBTUXKNVPL-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000364956892 529168423 /nfs/dbraw/zinc/16/84/23/529168423.db2.gz QFUDDBTUXKNVPL-MRXNPFEDSA-N 2 2 269.392 3.352 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1OC(F)F ZINC000423271048 529173614 /nfs/dbraw/zinc/17/36/14/529173614.db2.gz IQFOAUPRNHVSTR-CHWSQXEVSA-N 2 2 286.366 3.312 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2cc(OC)ccc2c1 ZINC000423209616 529208009 /nfs/dbraw/zinc/20/80/09/529208009.db2.gz VHOOYUXVTZFGAN-FUHWJXTLSA-N 2 2 284.403 3.251 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000123692263 535065590 /nfs/dbraw/zinc/06/55/90/535065590.db2.gz KGBXTCIKSSJFFG-GFCCVEGCSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000123692263 535065594 /nfs/dbraw/zinc/06/55/94/535065594.db2.gz KGBXTCIKSSJFFG-GFCCVEGCSA-N 2 2 283.485 3.246 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000479861247 535540384 /nfs/dbraw/zinc/54/03/84/535540384.db2.gz NRUBHVDDPFRAJL-SFHVURJKSA-N 2 2 274.452 3.248 20 0 CGADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccsc1 ZINC000191180656 535703140 /nfs/dbraw/zinc/70/31/40/535703140.db2.gz TUOYRKSPFCVCMO-AWEZNQCLSA-N 2 2 263.410 3.466 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)s1 ZINC000252514153 571919662 /nfs/dbraw/zinc/91/96/62/571919662.db2.gz FGANQXCFJSESOA-GDLCADMTSA-N 2 2 279.453 3.037 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)s1 ZINC000252514153 571919666 /nfs/dbraw/zinc/91/96/66/571919666.db2.gz FGANQXCFJSESOA-GDLCADMTSA-N 2 2 279.453 3.037 20 0 CGADLP CC(C)(C)[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000741754665 572522892 /nfs/dbraw/zinc/52/28/92/572522892.db2.gz UWJRGISSYSDHJA-MRXNPFEDSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000735491277 572725852 /nfs/dbraw/zinc/72/58/52/572725852.db2.gz DWXFZKHLFWQXSD-KFWWJZLASA-N 2 2 268.521 3.201 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000735491277 572725853 /nfs/dbraw/zinc/72/58/53/572725853.db2.gz DWXFZKHLFWQXSD-KFWWJZLASA-N 2 2 268.521 3.201 20 0 CGADLP Cc1nc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)sc1C ZINC000892651441 618886861 /nfs/dbraw/zinc/88/68/61/618886861.db2.gz YPNMQQBWVFDFDC-CYBMUJFWSA-N 2 2 292.452 3.161 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(F)F ZINC000926863591 618953309 /nfs/dbraw/zinc/95/33/09/618953309.db2.gz DLEOJNVAGUDERG-WDEREUQCSA-N 2 2 256.340 3.052 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925603880 619082167 /nfs/dbraw/zinc/08/21/67/619082167.db2.gz FNXALHFHONVILR-UHOFOFEASA-N 2 2 291.439 3.001 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925603880 619082168 /nfs/dbraw/zinc/08/21/68/619082168.db2.gz FNXALHFHONVILR-UHOFOFEASA-N 2 2 291.439 3.001 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1 ZINC000925679004 619127711 /nfs/dbraw/zinc/12/77/11/619127711.db2.gz HBTGIVYUFOSJBE-PBHICJAKSA-N 2 2 283.419 3.037 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccoc1 ZINC000178505986 619235816 /nfs/dbraw/zinc/23/58/16/619235816.db2.gz UCVUCRMQSXUMQK-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1Cl ZINC000925778764 619240801 /nfs/dbraw/zinc/24/08/01/619240801.db2.gz KWPSNCGOZWGIPD-MNOVXSKESA-N 2 2 288.769 3.235 20 0 CGADLP c1ccc2c(c1)cncc2C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000317541823 619250191 /nfs/dbraw/zinc/25/01/91/619250191.db2.gz WRYJHVQHHYYLOA-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000317541823 619250192 /nfs/dbraw/zinc/25/01/92/619250192.db2.gz WRYJHVQHHYYLOA-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccoc1 ZINC000094868821 619288657 /nfs/dbraw/zinc/28/86/57/619288657.db2.gz YQCSPYBJMQTUHK-TZMCWYRMSA-N 2 2 261.369 3.242 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261573189 619289161 /nfs/dbraw/zinc/28/91/61/619289161.db2.gz VACQDUAFMLXVNV-GIPNMCIBSA-N 2 2 272.314 3.045 20 0 CGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261573189 619289163 /nfs/dbraw/zinc/28/91/63/619289163.db2.gz VACQDUAFMLXVNV-GIPNMCIBSA-N 2 2 272.314 3.045 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2cccc(F)c2)CC1 ZINC000893917572 619332298 /nfs/dbraw/zinc/33/22/98/619332298.db2.gz BBYXBNZTOPTEQN-FNORWQNLSA-N 2 2 276.399 3.255 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2cccc(F)c2)CC1 ZINC000893917572 619332301 /nfs/dbraw/zinc/33/23/01/619332301.db2.gz BBYXBNZTOPTEQN-FNORWQNLSA-N 2 2 276.399 3.255 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403862 625355034 /nfs/dbraw/zinc/35/50/34/625355034.db2.gz QJJDIFUDIJETTR-NEPJUHHUSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000185403862 625355045 /nfs/dbraw/zinc/35/50/45/625355045.db2.gz QJJDIFUDIJETTR-NEPJUHHUSA-N 2 2 282.815 3.038 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(C)CC1 ZINC000195251979 625355378 /nfs/dbraw/zinc/35/53/78/625355378.db2.gz XPQHIVUKWWOJHD-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccccc3C2(C)C)n1C ZINC000895015620 619695698 /nfs/dbraw/zinc/69/56/98/619695698.db2.gz CZQYCVXWRDCBBQ-UHFFFAOYSA-N 2 2 269.392 3.022 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCc3ccccc3C2(C)C)n1C ZINC000895015620 619695702 /nfs/dbraw/zinc/69/57/02/619695702.db2.gz CZQYCVXWRDCBBQ-UHFFFAOYSA-N 2 2 269.392 3.022 20 0 CGADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccn(C)c2)CC1 ZINC000895554307 619849274 /nfs/dbraw/zinc/84/92/74/619849274.db2.gz VPRVQGOBEQDSJZ-UHFFFAOYSA-N 2 2 289.467 3.256 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000895672009 619869151 /nfs/dbraw/zinc/86/91/51/619869151.db2.gz SVDZDTKAPPFUID-DUXPYHPUSA-N 2 2 288.410 3.399 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841807 619892379 /nfs/dbraw/zinc/89/23/79/619892379.db2.gz IMDNXTKJYWHHBX-DOMZBBRYSA-N 2 2 298.352 3.289 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841807 619892380 /nfs/dbraw/zinc/89/23/80/619892380.db2.gz IMDNXTKJYWHHBX-DOMZBBRYSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841807 619892382 /nfs/dbraw/zinc/89/23/82/619892382.db2.gz IMDNXTKJYWHHBX-DOMZBBRYSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841807 619892383 /nfs/dbraw/zinc/89/23/83/619892383.db2.gz IMDNXTKJYWHHBX-DOMZBBRYSA-N 2 2 298.352 3.289 20 0 CGADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000263093149 620290651 /nfs/dbraw/zinc/29/06/51/620290651.db2.gz YPDVHIQJABVWHC-CYBMUJFWSA-N 2 2 272.314 3.191 20 0 CGADLP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000263093149 620290654 /nfs/dbraw/zinc/29/06/54/620290654.db2.gz YPDVHIQJABVWHC-CYBMUJFWSA-N 2 2 272.314 3.191 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)s1 ZINC000897981848 620462291 /nfs/dbraw/zinc/46/22/91/620462291.db2.gz SBXODBQEXLQZAD-UHFFFAOYSA-N 2 2 278.465 3.417 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(C)(C)CC1)[NH+]1CCCCC1 ZINC000079627404 620515719 /nfs/dbraw/zinc/51/57/19/620515719.db2.gz OHHHWLLXPQPOLN-AWEZNQCLSA-N 2 2 252.446 3.419 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCC2(CCC2)O1 ZINC000927010492 620560378 /nfs/dbraw/zinc/56/03/78/620560378.db2.gz LEVATOXCWPQNRA-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCCC2(CCC2)O1 ZINC000927010492 620560381 /nfs/dbraw/zinc/56/03/81/620560381.db2.gz LEVATOXCWPQNRA-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000902440232 621320387 /nfs/dbraw/zinc/32/03/87/621320387.db2.gz XFMVWLZZDYXALO-GUDVDZBRSA-N 2 2 278.399 3.352 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(OC)cc1 ZINC000902446003 621322896 /nfs/dbraw/zinc/32/28/96/621322896.db2.gz RFCQUEOWWPLIHS-IPMKNSEASA-N 2 2 296.414 3.361 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902464711 621337499 /nfs/dbraw/zinc/33/74/99/621337499.db2.gz BVXZAOGRHGCQDX-RKTXRCNFSA-N 2 2 274.408 3.019 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470723 621341457 /nfs/dbraw/zinc/34/14/57/621341457.db2.gz GDSCPCMQIZAXTQ-UDUPFKKZSA-N 2 2 256.393 3.026 20 0 CGADLP COCC[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903019109 621520955 /nfs/dbraw/zinc/52/09/55/621520955.db2.gz KIQMWFRYQJRWRX-GJZGRUSLSA-N 2 2 287.407 3.196 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000902999310 621524376 /nfs/dbraw/zinc/52/43/76/621524376.db2.gz APAQASFLOUZOSH-XJKSGUPXSA-N 2 2 287.407 3.072 20 0 CGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903042729 621540753 /nfs/dbraw/zinc/54/07/53/621540753.db2.gz ZWPINTYZULNPJU-BMGDILEWSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903725434 621797262 /nfs/dbraw/zinc/79/72/62/621797262.db2.gz ZOUDMCWFMNVMCP-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903725434 621797264 /nfs/dbraw/zinc/79/72/64/621797264.db2.gz ZOUDMCWFMNVMCP-OLZOCXBDSA-N 2 2 282.378 3.347 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903874360 621824487 /nfs/dbraw/zinc/82/44/87/621824487.db2.gz YRKBBWAPCGCEIY-LLVKDONJSA-N 2 2 296.283 3.120 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903874360 621824489 /nfs/dbraw/zinc/82/44/89/621824489.db2.gz YRKBBWAPCGCEIY-LLVKDONJSA-N 2 2 296.283 3.120 20 0 CGADLP c1c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)onc1C1CC1 ZINC000903953632 621842265 /nfs/dbraw/zinc/84/22/65/621842265.db2.gz HRZSYRVFJRUZTD-DOTOQJQBSA-N 2 2 297.402 3.135 20 0 CGADLP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000903955007 621843013 /nfs/dbraw/zinc/84/30/13/621843013.db2.gz YBRIPHFHHDTFNZ-LSDHHAIUSA-N 2 2 295.496 3.079 20 0 CGADLP Cc1csc(C[C@@H]2CCC[N@H+](C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000903955007 621843017 /nfs/dbraw/zinc/84/30/17/621843017.db2.gz YBRIPHFHHDTFNZ-LSDHHAIUSA-N 2 2 295.496 3.079 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C(C)(C)C)cc1C ZINC000904389809 621915872 /nfs/dbraw/zinc/91/58/72/621915872.db2.gz VSOOQERGNRZBGT-ZDUSSCGKSA-N 2 2 264.413 3.042 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000904385619 621917335 /nfs/dbraw/zinc/91/73/35/621917335.db2.gz ADMTWNXDXSWUTH-QWHCGFSZSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000904385619 621917340 /nfs/dbraw/zinc/91/73/40/621917340.db2.gz ADMTWNXDXSWUTH-QWHCGFSZSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000904468886 621924715 /nfs/dbraw/zinc/92/47/15/621924715.db2.gz GGGRZCQFPAUMPS-KBPBESRZSA-N 2 2 295.496 3.161 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000904468886 621924718 /nfs/dbraw/zinc/92/47/18/621924718.db2.gz GGGRZCQFPAUMPS-KBPBESRZSA-N 2 2 295.496 3.161 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000753660870 623472765 /nfs/dbraw/zinc/47/27/65/623472765.db2.gz AFKOCPDWCPFOEY-JKSUJKDBSA-N 2 2 290.451 3.447 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1C ZINC000753660870 623472780 /nfs/dbraw/zinc/47/27/80/623472780.db2.gz AFKOCPDWCPFOEY-JKSUJKDBSA-N 2 2 290.451 3.447 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689960 623509762 /nfs/dbraw/zinc/50/97/62/623509762.db2.gz JXQXPNVLUJWTSS-HOCLYGCPSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689960 623509771 /nfs/dbraw/zinc/50/97/71/623509771.db2.gz JXQXPNVLUJWTSS-HOCLYGCPSA-N 2 2 291.414 3.232 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000922237287 625988408 /nfs/dbraw/zinc/98/84/08/625988408.db2.gz IJMRJHMITNQUSG-MELADBBJSA-N 2 2 270.486 3.123 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000922237287 625988410 /nfs/dbraw/zinc/98/84/10/625988410.db2.gz IJMRJHMITNQUSG-MELADBBJSA-N 2 2 270.486 3.123 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc2n1 ZINC000923535917 626162125 /nfs/dbraw/zinc/16/21/25/626162125.db2.gz KDZUTFXYAQQVJP-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c2ccccc2n1 ZINC000923535917 626162129 /nfs/dbraw/zinc/16/21/29/626162129.db2.gz KDZUTFXYAQQVJP-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2cnc3ccccc3c2)[nH+]c1 ZINC000751504839 626393581 /nfs/dbraw/zinc/39/35/81/626393581.db2.gz DICROOYMRMAOOV-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000761871426 627070103 /nfs/dbraw/zinc/07/01/03/627070103.db2.gz NWDOKTVTUZZZBF-GFCCVEGCSA-N 2 2 276.428 3.078 20 0 CGADLP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000761871426 627070108 /nfs/dbraw/zinc/07/01/08/627070108.db2.gz NWDOKTVTUZZZBF-GFCCVEGCSA-N 2 2 276.428 3.078 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]CC3(C)CCC3)cc2)CC1 ZINC000766213591 627303587 /nfs/dbraw/zinc/30/35/87/627303587.db2.gz ROHKTEICNDELBE-UHFFFAOYSA-N 2 2 273.424 3.041 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771178718 627688826 /nfs/dbraw/zinc/68/88/26/627688826.db2.gz RILRLVNASYWZKQ-AWEZNQCLSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775622864 628115234 /nfs/dbraw/zinc/11/52/34/628115234.db2.gz JMQSHFZGEGIMDW-STQMWFEESA-N 2 2 268.364 3.104 20 0 CGADLP C[C@H]([NH2+]CCOC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000777121983 628250992 /nfs/dbraw/zinc/25/09/92/628250992.db2.gz QOUNARSJLXCHIR-AWEZNQCLSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@H](Nc1ccc2c(c1)CCC[N@H+]2C)C1CC[NH+](C)CC1 ZINC000777655053 628291484 /nfs/dbraw/zinc/29/14/84/628291484.db2.gz DPLYMRHOAJVZTQ-AWEZNQCLSA-N 2 2 287.451 3.211 20 0 CGADLP C[C@H](Nc1ccc2c(c1)CCC[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000777655053 628291486 /nfs/dbraw/zinc/29/14/86/628291486.db2.gz DPLYMRHOAJVZTQ-AWEZNQCLSA-N 2 2 287.451 3.211 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000779059693 628385320 /nfs/dbraw/zinc/38/53/20/628385320.db2.gz BXIXJSJTUCGABX-GJZGRUSLSA-N 2 2 299.418 3.174 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000783243029 628693132 /nfs/dbraw/zinc/69/31/32/628693132.db2.gz JDLIIAHVQDCOQX-VNQPRFMTSA-N 2 2 269.392 3.092 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863548219 629603118 /nfs/dbraw/zinc/60/31/18/629603118.db2.gz VWJXKGXREYCZOU-FZMZJTMJSA-N 2 2 293.361 3.124 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000863653300 629633172 /nfs/dbraw/zinc/63/31/72/629633172.db2.gz HOMSWOJJOGKUCB-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000863653300 629633184 /nfs/dbraw/zinc/63/31/84/629633184.db2.gz HOMSWOJJOGKUCB-LLVKDONJSA-N 2 2 278.396 3.333 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000865413014 630109937 /nfs/dbraw/zinc/10/99/37/630109937.db2.gz VTWWJTJFVZUUFM-NSHDSACASA-N 2 2 263.772 3.023 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000800475464 630283860 /nfs/dbraw/zinc/28/38/60/630283860.db2.gz CWFVZDGEJBHICH-ARFHVFGLSA-N 2 2 293.455 3.093 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000800890403 630309420 /nfs/dbraw/zinc/30/94/20/630309420.db2.gz PVMQTKWIAZMHNE-UAGQMJEPSA-N 2 2 267.376 3.151 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1C ZINC000817950781 632246801 /nfs/dbraw/zinc/24/68/01/632246801.db2.gz YTWILAAUUAMFML-HUUCEWRRSA-N 2 2 276.424 3.105 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000817984123 632274529 /nfs/dbraw/zinc/27/45/29/632274529.db2.gz NPRXXAFAWJWJNL-TZMCWYRMSA-N 2 2 296.842 3.450 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1C ZINC000817984788 632274964 /nfs/dbraw/zinc/27/49/64/632274964.db2.gz ZZYFXBIWUBQRBB-HUUCEWRRSA-N 2 2 276.424 3.105 20 0 CGADLP CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000821402283 632764927 /nfs/dbraw/zinc/76/49/27/632764927.db2.gz PEBTYIWGYOMGMD-FRFSOERESA-N 2 2 285.391 3.090 20 0 CGADLP C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821402086 632765511 /nfs/dbraw/zinc/76/55/11/632765511.db2.gz MEAKXTCYUKYJHO-SYJJWHGVSA-N 2 2 299.418 3.074 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCc3cccc4cccc2c43)c[nH+]1 ZINC000866215565 633031847 /nfs/dbraw/zinc/03/18/47/633031847.db2.gz KGQYIZVWZJUGSL-QGZVFWFLSA-N 2 2 277.371 3.313 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823596545 633125731 /nfs/dbraw/zinc/12/57/31/633125731.db2.gz QEBDIZRIIKWMIT-LBPRGKRZSA-N 2 2 299.821 3.228 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823596545 633125739 /nfs/dbraw/zinc/12/57/39/633125739.db2.gz QEBDIZRIIKWMIT-LBPRGKRZSA-N 2 2 299.821 3.228 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1Cl ZINC000866667030 633229531 /nfs/dbraw/zinc/22/95/31/633229531.db2.gz YUXHSGRLQZDUQX-ZFWWWQNUSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1Cl ZINC000866667030 633229537 /nfs/dbraw/zinc/22/95/37/633229537.db2.gz YUXHSGRLQZDUQX-ZFWWWQNUSA-N 2 2 293.842 3.007 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828286907 633602060 /nfs/dbraw/zinc/60/20/60/633602060.db2.gz JONPEEVSINMPIA-LBPRGKRZSA-N 2 2 279.255 3.033 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCOC1 ZINC000872027439 633947474 /nfs/dbraw/zinc/94/74/74/633947474.db2.gz JNIAZTWVQWBORQ-FUHWJXTLSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)n1C ZINC000873154444 634261670 /nfs/dbraw/zinc/26/16/70/634261670.db2.gz WXQIYLQQAMTFLK-UHFFFAOYSA-N 2 2 289.326 3.099 20 0 CGADLP Cc1cc(C)cc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000876651721 634876093 /nfs/dbraw/zinc/87/60/93/634876093.db2.gz YNNVQVFLXTXHQH-UHFFFAOYSA-N 2 2 283.419 3.380 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(F)F ZINC000840967272 635094908 /nfs/dbraw/zinc/09/49/08/635094908.db2.gz YTRBVNVKAORHSX-RISCZKNCSA-N 2 2 277.318 3.006 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(C)c1OC(F)F ZINC000841033410 635110359 /nfs/dbraw/zinc/11/03/59/635110359.db2.gz UEQRVFAOKNMGGH-CQSZACIVSA-N 2 2 298.377 3.137 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742305 635176945 /nfs/dbraw/zinc/17/69/45/635176945.db2.gz OUJWJHQRRGEEPW-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742305 635176951 /nfs/dbraw/zinc/17/69/51/635176951.db2.gz OUJWJHQRRGEEPW-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742305 635176958 /nfs/dbraw/zinc/17/69/58/635176958.db2.gz OUJWJHQRRGEEPW-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC[C@H]21 ZINC000877742305 635176964 /nfs/dbraw/zinc/17/69/64/635176964.db2.gz OUJWJHQRRGEEPW-FNGHRWMPSA-N 2 2 292.373 3.004 20 0 CGADLP CCc1nc([C@H]2CCCC[N@@H+]2CCCCCCC[NH3+])no1 ZINC000842471900 635375931 /nfs/dbraw/zinc/37/59/31/635375931.db2.gz FRABJCIZBYTUCY-CQSZACIVSA-N 2 2 294.443 3.068 20 0 CGADLP CCc1nc([C@H]2CCCC[N@H+]2CCCCCCC[NH3+])no1 ZINC000842471900 635375942 /nfs/dbraw/zinc/37/59/42/635375942.db2.gz FRABJCIZBYTUCY-CQSZACIVSA-N 2 2 294.443 3.068 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878302676 635451260 /nfs/dbraw/zinc/45/12/60/635451260.db2.gz UGHLGNHXNMUUDU-JTQLQIEISA-N 2 2 299.296 3.021 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878302676 635451264 /nfs/dbraw/zinc/45/12/64/635451264.db2.gz UGHLGNHXNMUUDU-JTQLQIEISA-N 2 2 299.296 3.021 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](CCc2cscn2)CC1 ZINC000879951354 635886382 /nfs/dbraw/zinc/88/63/82/635886382.db2.gz LNFLWMONWXVLTF-UHFFFAOYSA-N 2 2 293.480 3.026 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000880469668 636006681 /nfs/dbraw/zinc/00/66/81/636006681.db2.gz CSGJSKOCUKYGAA-WEVVVXLNSA-N 2 2 270.420 3.260 20 0 CGADLP CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC(F)(F)C1 ZINC000883249724 636620684 /nfs/dbraw/zinc/62/06/84/636620684.db2.gz OYNNTLYGBLEITD-UHFFFAOYSA-N 2 2 291.345 3.397 20 0 CGADLP CC1(C[NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883344847 636690246 /nfs/dbraw/zinc/69/02/46/636690246.db2.gz KJQPNDHFSRJYNE-QGZVFWFLSA-N 2 2 285.435 3.183 20 0 CGADLP CC1(C[NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883344847 636690252 /nfs/dbraw/zinc/69/02/52/636690252.db2.gz KJQPNDHFSRJYNE-QGZVFWFLSA-N 2 2 285.435 3.183 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883346824 636692261 /nfs/dbraw/zinc/69/22/61/636692261.db2.gz HETWIFXLZRIPTJ-ZTFGCOKTSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883346824 636692264 /nfs/dbraw/zinc/69/22/64/636692264.db2.gz HETWIFXLZRIPTJ-ZTFGCOKTSA-N 2 2 285.435 3.181 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388562 636730218 /nfs/dbraw/zinc/73/02/18/636730218.db2.gz XOBGXWQMDAULCC-DJIMGWMZSA-N 2 2 269.392 3.403 20 0 CGADLP CCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000850428473 637057823 /nfs/dbraw/zinc/05/78/23/637057823.db2.gz HXGALXQPXISXQU-UHFFFAOYSA-N 2 2 299.418 3.310 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000885918846 637311967 /nfs/dbraw/zinc/31/19/67/637311967.db2.gz AXMZLHAIZGWAPO-DLBZAZTESA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccc(Cl)cn1)[NH+]1CCCCC1 ZINC000886062701 637396334 /nfs/dbraw/zinc/39/63/34/637396334.db2.gz VJHFDSTXLUVOHM-CYBMUJFWSA-N 2 2 281.831 3.089 20 0 CGADLP Cc1cccc2c1[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000924645386 638383212 /nfs/dbraw/zinc/38/32/12/638383212.db2.gz JHDBPSQYXLGWBZ-QGZVFWFLSA-N 2 2 295.430 3.347 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000924662151 638385162 /nfs/dbraw/zinc/38/51/62/638385162.db2.gz SQVLRFRBOUDBPO-ZJPYXAASSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000924662151 638385168 /nfs/dbraw/zinc/38/51/68/638385168.db2.gz SQVLRFRBOUDBPO-ZJPYXAASSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)CO)c1ccccc1 ZINC000925060117 638445140 /nfs/dbraw/zinc/44/51/40/638445140.db2.gz MCTJIGDUHHANJQ-CABCVRRESA-N 2 2 292.467 3.112 20 0 CGADLP COc1ccnc([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000925086751 638449063 /nfs/dbraw/zinc/44/90/63/638449063.db2.gz RWUATUJGORRQQG-XJKSGUPXSA-N 2 2 293.455 3.107 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925103464 638453377 /nfs/dbraw/zinc/45/33/77/638453377.db2.gz QTBIRXPSAMPMGZ-MSOLQXFVSA-N 2 2 287.451 3.095 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925103464 638453378 /nfs/dbraw/zinc/45/33/78/638453378.db2.gz QTBIRXPSAMPMGZ-MSOLQXFVSA-N 2 2 287.451 3.095 20 0 CGADLP c1cncc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)c1 ZINC000925529076 638520156 /nfs/dbraw/zinc/52/01/56/638520156.db2.gz YPBRULNADVQPHV-SFHVURJKSA-N 2 2 293.414 3.123 20 0 CGADLP CCSc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925731457 638586046 /nfs/dbraw/zinc/58/60/46/638586046.db2.gz KWWIPGZATRHCNV-OAHLLOKOSA-N 2 2 276.449 3.173 20 0 CGADLP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000925739171 638592055 /nfs/dbraw/zinc/59/20/55/638592055.db2.gz UPHFOBFSYVSXOG-INIZCTEOSA-N 2 2 287.382 3.027 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925785289 638614670 /nfs/dbraw/zinc/61/46/70/638614670.db2.gz VXVJDVCKCILUDY-JHJVBQTASA-N 2 2 252.427 3.033 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926231363 638748359 /nfs/dbraw/zinc/74/83/59/638748359.db2.gz ZXXGZNVDJAYKPS-NYTXWWLZSA-N 2 2 273.424 3.002 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)C[NH+](C)C ZINC000926962422 638829383 /nfs/dbraw/zinc/82/93/83/638829383.db2.gz LZGBZHBUAUHIBP-QWRGUYRKSA-N 2 2 290.860 3.019 20 0 CGADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(C)C ZINC000930444076 638998833 /nfs/dbraw/zinc/99/88/33/638998833.db2.gz UKSYGJVSXSNCDH-GJZGRUSLSA-N 2 2 279.428 3.100 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514326 639162917 /nfs/dbraw/zinc/16/29/17/639162917.db2.gz NXEWHSGFJVCSIB-CYBMUJFWSA-N 2 2 267.376 3.092 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514326 639162920 /nfs/dbraw/zinc/16/29/20/639162920.db2.gz NXEWHSGFJVCSIB-CYBMUJFWSA-N 2 2 267.376 3.092 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250495905 640813776 /nfs/dbraw/zinc/81/37/76/640813776.db2.gz IYUNJYKDMUTYKN-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250495905 640813780 /nfs/dbraw/zinc/81/37/80/640813780.db2.gz IYUNJYKDMUTYKN-OWCLPIDISA-N 2 2 252.446 3.275 20 0 CGADLP Cc1c(F)cc[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001156501390 805704627 /nfs/dbraw/zinc/70/46/27/805704627.db2.gz OGCLUMBYAGBJLP-UHFFFAOYSA-N 2 2 265.376 3.061 20 0 CGADLP CCSc1cc[nH+]c(NCc2ccc(N)[nH+]c2C)c1 ZINC001156980865 805762506 /nfs/dbraw/zinc/76/25/06/805762506.db2.gz NKWATIVAPJEJAE-UHFFFAOYSA-N 2 2 274.393 3.091 20 0 CGADLP Cc1cccc2cc[nH+]c(NC3C[NH+](C(C)C)C3)c12 ZINC001157530166 805828579 /nfs/dbraw/zinc/82/85/79/805828579.db2.gz UOUNCWBODJRQQS-UHFFFAOYSA-N 2 2 255.365 3.048 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158265496 805932805 /nfs/dbraw/zinc/93/28/05/805932805.db2.gz OMKJDUAWVVGYTQ-MLGOLLRUSA-N 2 2 279.403 3.485 20 0 CGADLP COc1ccc2[nH+]c(N3CCC[C@](C)(C[NH3+])C3)cc(C)c2c1 ZINC001158679385 805985058 /nfs/dbraw/zinc/98/50/58/805985058.db2.gz VVFZDGAXXMKXML-GOSISDBHSA-N 2 2 299.418 3.117 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001158824876 806008481 /nfs/dbraw/zinc/00/84/81/806008481.db2.gz ZQSFDJLUNIEPSD-UHFFFAOYSA-N 2 2 281.403 3.441 20 0 CGADLP CCc1cccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1 ZINC001159321140 806082334 /nfs/dbraw/zinc/08/23/34/806082334.db2.gz FBFCITFFKWWCIG-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP CCc1ccccc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159321775 806082707 /nfs/dbraw/zinc/08/27/07/806082707.db2.gz RRYJGECJNUJAMZ-UHFFFAOYSA-N 2 2 296.418 3.315 20 0 CGADLP CN(C)c1ccc[nH+]c1Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001159366040 806087574 /nfs/dbraw/zinc/08/75/74/806087574.db2.gz RUISAOCBMJBXPA-OAHLLOKOSA-N 2 2 282.391 3.316 20 0 CGADLP Cc1ccc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c(C)[nH+]1 ZINC001159982274 806208964 /nfs/dbraw/zinc/20/89/64/806208964.db2.gz QTFPIHCTYZMLIR-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP CN(C)c1ccc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)c[nH+]1 ZINC001160286071 806250432 /nfs/dbraw/zinc/25/04/32/806250432.db2.gz BTGGVGJWRIHIEZ-UHFFFAOYSA-N 2 2 296.418 3.272 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@H]2CCC[N@@H+]2C)c1 ZINC001160968106 806331363 /nfs/dbraw/zinc/33/13/63/806331363.db2.gz JTYPLQNPQJGEKH-GFCCVEGCSA-N 2 2 265.426 3.090 20 0 CGADLP CCSc1cc[nH+]c(NCC[C@H]2CCC[N@H+]2C)c1 ZINC001160968106 806331369 /nfs/dbraw/zinc/33/13/69/806331369.db2.gz JTYPLQNPQJGEKH-GFCCVEGCSA-N 2 2 265.426 3.090 20 0 CGADLP c1cn(CCCNc2ccc3c(c2)[nH]c2cc[nH+]cc23)c[nH+]1 ZINC001161687745 806419288 /nfs/dbraw/zinc/41/92/88/806419288.db2.gz AUCJWGXVQSSXCH-UHFFFAOYSA-N 2 2 291.358 3.415 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1F ZINC001254500272 806421128 /nfs/dbraw/zinc/42/11/28/806421128.db2.gz TUMOMFUTXISUTC-LBPRGKRZSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1F ZINC001254500272 806421130 /nfs/dbraw/zinc/42/11/30/806421130.db2.gz TUMOMFUTXISUTC-LBPRGKRZSA-N 2 2 284.806 3.361 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001254500911 806421217 /nfs/dbraw/zinc/42/12/17/806421217.db2.gz YWRMYEURVPBVDQ-NSHDSACASA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001254500911 806421220 /nfs/dbraw/zinc/42/12/20/806421220.db2.gz YWRMYEURVPBVDQ-NSHDSACASA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512968 806433117 /nfs/dbraw/zinc/43/31/17/806433117.db2.gz UIMVZPKSSBPJEE-ZFWWWQNUSA-N 2 2 293.842 3.260 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ncccc2Cl)C2CC2)CC1 ZINC001254512968 806433120 /nfs/dbraw/zinc/43/31/20/806433120.db2.gz UIMVZPKSSBPJEE-ZFWWWQNUSA-N 2 2 293.842 3.260 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254841253 806495686 /nfs/dbraw/zinc/49/56/86/806495686.db2.gz VKLCZWXXBNHJTK-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP c1ccc(CCCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254845846 806497174 /nfs/dbraw/zinc/49/71/74/806497174.db2.gz QYWNWILRPIIOMY-GOSISDBHSA-N 2 2 272.436 3.083 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254850085 806499348 /nfs/dbraw/zinc/49/93/48/806499348.db2.gz DDQLPYUXZPMVES-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862574 806503066 /nfs/dbraw/zinc/50/30/66/806503066.db2.gz NCQMJEZDOAOKRI-LSDHHAIUSA-N 2 2 276.449 3.369 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254862574 806503070 /nfs/dbraw/zinc/50/30/70/806503070.db2.gz NCQMJEZDOAOKRI-LSDHHAIUSA-N 2 2 276.449 3.369 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001162390520 806574099 /nfs/dbraw/zinc/57/40/99/806574099.db2.gz GTIIOYZNSBUPGK-NXEZZACHSA-N 2 2 273.302 3.091 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)ccc1[NH+](C)C ZINC001162472415 806593701 /nfs/dbraw/zinc/59/37/01/806593701.db2.gz XKVUSZFEDYRLNB-HUUCEWRRSA-N 2 2 275.440 3.109 20 0 CGADLP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001255654360 806694474 /nfs/dbraw/zinc/69/44/74/806694474.db2.gz CLGWQRGMCZIUHH-NSHDSACASA-N 2 2 296.352 3.226 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000037860302 798877226 /nfs/dbraw/zinc/87/72/26/798877226.db2.gz HXVQHSAXUXNMCM-UHFFFAOYSA-N 2 2 264.413 3.332 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000037860302 798877229 /nfs/dbraw/zinc/87/72/29/798877229.db2.gz HXVQHSAXUXNMCM-UHFFFAOYSA-N 2 2 264.413 3.332 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(F)ccc1F)C[NH+]1CCCCC1 ZINC000037997665 798883462 /nfs/dbraw/zinc/88/34/62/798883462.db2.gz LCCVYHGHGOMHCT-CYBMUJFWSA-N 2 2 282.378 3.176 20 0 CGADLP c1cn(-c2ccc(C[N@@H+](CC3CC3)C3CC3)cc2)c[nH+]1 ZINC000076349112 798924331 /nfs/dbraw/zinc/92/43/31/798924331.db2.gz ACRJHRLZLITXCP-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+](CC3CC3)C3CC3)cc2)c[nH+]1 ZINC000076349112 798924337 /nfs/dbraw/zinc/92/43/37/798924337.db2.gz ACRJHRLZLITXCP-UHFFFAOYSA-N 2 2 267.376 3.247 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255697980 806709093 /nfs/dbraw/zinc/70/90/93/806709093.db2.gz VHOPYAPNWMRXNJ-IHRRRGAJSA-N 2 2 292.389 3.427 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255697980 806709095 /nfs/dbraw/zinc/70/90/95/806709095.db2.gz VHOPYAPNWMRXNJ-IHRRRGAJSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001255851108 806767618 /nfs/dbraw/zinc/76/76/18/806767618.db2.gz LJKPBBQMBMIODT-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC001255851108 806767624 /nfs/dbraw/zinc/76/76/24/806767624.db2.gz LJKPBBQMBMIODT-AWEZNQCLSA-N 2 2 278.415 3.173 20 0 CGADLP C[C@H]([NH2+]C/C=C\Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000588560112 799711431 /nfs/dbraw/zinc/71/14/31/799711431.db2.gz LGXNEMNBRCYXQP-RYBZSIHZSA-N 2 2 261.756 3.275 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc2ccccc2cn1 ZINC001255946759 806792355 /nfs/dbraw/zinc/79/23/55/806792355.db2.gz ZDYHQALINURTJN-HNNXBMFYSA-N 2 2 285.435 3.445 20 0 CGADLP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC001256069558 806811185 /nfs/dbraw/zinc/81/11/85/806811185.db2.gz GZEGYZWKPHFUFC-UHFFFAOYSA-N 2 2 270.829 3.118 20 0 CGADLP Cc1coc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718120918 800211958 /nfs/dbraw/zinc/21/19/58/800211958.db2.gz VUWTWXXVWVPNJR-QGZVFWFLSA-N 2 2 284.403 3.200 20 0 CGADLP Cc1coc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718120918 800211963 /nfs/dbraw/zinc/21/19/63/800211963.db2.gz VUWTWXXVWVPNJR-QGZVFWFLSA-N 2 2 284.403 3.200 20 0 CGADLP CC[N@H+](Cc1cccc(OC)c1)C1CC[NH+](C2CC2)CC1 ZINC001256080960 806817226 /nfs/dbraw/zinc/81/72/26/806817226.db2.gz JIWKEGHAWPCHJO-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC[N@@H+](Cc1cccc(OC)c1)C1CC[NH+](C2CC2)CC1 ZINC001256080960 806817233 /nfs/dbraw/zinc/81/72/33/806817233.db2.gz JIWKEGHAWPCHJO-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000721630408 800298249 /nfs/dbraw/zinc/29/82/49/800298249.db2.gz FOSFRMJZFVMYDL-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105870 806820720 /nfs/dbraw/zinc/82/07/20/806820720.db2.gz ARIRYENFDWLRES-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105870 806820728 /nfs/dbraw/zinc/82/07/28/806820728.db2.gz ARIRYENFDWLRES-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391380 800320976 /nfs/dbraw/zinc/32/09/76/800320976.db2.gz ASDHGBSXEFNUBV-GXTWGEPZSA-N 2 2 281.469 3.263 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000925761332 800633294 /nfs/dbraw/zinc/63/32/94/800633294.db2.gz ZPMPJFNTMMCPCL-OAHLLOKOSA-N 2 2 296.842 3.231 20 0 CGADLP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCc2ccc(Cl)cc21 ZINC001256209892 806849376 /nfs/dbraw/zinc/84/93/76/806849376.db2.gz BYNQYRCBSHFWHM-ZDUSSCGKSA-N 2 2 292.854 3.396 20 0 CGADLP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCc2ccc(Cl)cc21 ZINC001256209892 806849382 /nfs/dbraw/zinc/84/93/82/806849382.db2.gz BYNQYRCBSHFWHM-ZDUSSCGKSA-N 2 2 292.854 3.396 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001256207653 806849763 /nfs/dbraw/zinc/84/97/63/806849763.db2.gz RCBZJSCMEWWGGO-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001256207653 806849771 /nfs/dbraw/zinc/84/97/71/806849771.db2.gz RCBZJSCMEWWGGO-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256558008 806914078 /nfs/dbraw/zinc/91/40/78/806914078.db2.gz PSOLFGODBNKVML-XJKSGUPXSA-N 2 2 294.389 3.236 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256558008 806914084 /nfs/dbraw/zinc/91/40/84/806914084.db2.gz PSOLFGODBNKVML-XJKSGUPXSA-N 2 2 294.389 3.236 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CCC3(CCCOC3)CC2)CC1 ZINC001256576854 806920997 /nfs/dbraw/zinc/92/09/97/806920997.db2.gz TVQUDQRQLBVWFR-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603505 806923393 /nfs/dbraw/zinc/92/33/93/806923393.db2.gz FLFATWAVCYPROB-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP CC[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603505 806923395 /nfs/dbraw/zinc/92/33/95/806923395.db2.gz FLFATWAVCYPROB-UHFFFAOYSA-N 2 2 258.409 3.135 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]ccc2cc(Cl)ccc21 ZINC001164463122 806951480 /nfs/dbraw/zinc/95/14/80/806951480.db2.gz XAOBUALVJMPUAI-NEPJUHHUSA-N 2 2 289.810 3.452 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCCCCC1 ZINC001116071155 802296483 /nfs/dbraw/zinc/29/64/83/802296483.db2.gz RXDLEVKXVNJEDT-UHFFFAOYSA-N 2 2 298.390 3.485 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncccc21 ZINC001118991507 802625555 /nfs/dbraw/zinc/62/55/55/802625555.db2.gz LRGPLNUCUWADNW-IRXDYDNUSA-N 2 2 298.434 3.360 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306633 812945378 /nfs/dbraw/zinc/94/53/78/812945378.db2.gz YNLZGIDLQHUWKT-JQWIXIFHSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306633 812945385 /nfs/dbraw/zinc/94/53/85/812945385.db2.gz YNLZGIDLQHUWKT-JQWIXIFHSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205074852 812847998 /nfs/dbraw/zinc/84/79/98/812847998.db2.gz BADWUABQGUSOBC-STQMWFEESA-N 2 2 287.432 3.122 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccn2)s1 ZINC001205074852 812848005 /nfs/dbraw/zinc/84/80/05/812848005.db2.gz BADWUABQGUSOBC-STQMWFEESA-N 2 2 287.432 3.122 20 0 CGADLP Fc1cccc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c21 ZINC001136985520 803667800 /nfs/dbraw/zinc/66/78/00/803667800.db2.gz KQPWGIPVZZMLCS-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001137340179 803718628 /nfs/dbraw/zinc/71/86/28/803718628.db2.gz UIQQSJDJQFIVEC-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001137340179 803718631 /nfs/dbraw/zinc/71/86/31/803718631.db2.gz UIQQSJDJQFIVEC-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(OC)c(C)c1 ZINC001138429996 803932042 /nfs/dbraw/zinc/93/20/42/803932042.db2.gz NTEKYRQHGRUKRY-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(OC)c(C)c1 ZINC001138429996 803932045 /nfs/dbraw/zinc/93/20/45/803932045.db2.gz NTEKYRQHGRUKRY-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CN(C)c1cc(-c2ccc(C(C)(C)[NH3+])cc2)cc[nH+]1 ZINC001245912868 804042295 /nfs/dbraw/zinc/04/22/95/804042295.db2.gz LBVZDDDHIFBQNQ-UHFFFAOYSA-N 2 2 255.365 3.008 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1OC(F)F ZINC001138911576 804070590 /nfs/dbraw/zinc/07/05/90/804070590.db2.gz BDPITEYDCBBBIM-UHFFFAOYSA-N 2 2 295.333 3.007 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246078127 804116182 /nfs/dbraw/zinc/11/61/82/804116182.db2.gz VECOKLZPVMBQKD-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088195 804120579 /nfs/dbraw/zinc/12/05/79/804120579.db2.gz SASCRHBIVFQOSG-ZACQAIPSSA-N 2 2 278.415 3.078 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246092200 804123477 /nfs/dbraw/zinc/12/34/77/804123477.db2.gz GIAZJMQUPCFKKL-CVEARBPZSA-N 2 2 270.461 3.094 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246100914 804133098 /nfs/dbraw/zinc/13/30/98/804133098.db2.gz YBNHFLMZZBRZKU-BBWFWOEESA-N 2 2 278.415 3.078 20 0 CGADLP Cn1ccc2c1cccc2C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001139160863 804145005 /nfs/dbraw/zinc/14/50/05/804145005.db2.gz AEEOOASHRKCZFJ-UHFFFAOYSA-N 2 2 294.402 3.212 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c21 ZINC001139198317 804159824 /nfs/dbraw/zinc/15/98/24/804159824.db2.gz CNWAGYNDFVZKPX-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c21 ZINC001139198317 804159826 /nfs/dbraw/zinc/15/98/26/804159826.db2.gz CNWAGYNDFVZKPX-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c21 ZINC001139198317 804159830 /nfs/dbraw/zinc/15/98/30/804159830.db2.gz CNWAGYNDFVZKPX-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c21 ZINC001139198317 804159833 /nfs/dbraw/zinc/15/98/33/804159833.db2.gz CNWAGYNDFVZKPX-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP CC1CCC([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)CC1 ZINC001246141488 804165003 /nfs/dbraw/zinc/16/50/03/804165003.db2.gz LHNZMXJANISSIV-BNICSPFPSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC001246157296 804174125 /nfs/dbraw/zinc/17/41/25/804174125.db2.gz BYXSSOBRDRSCRS-FOSCPWQOSA-N 2 2 282.790 3.160 20 0 CGADLP F[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139358731 804183660 /nfs/dbraw/zinc/18/36/60/804183660.db2.gz WNCVUPGEJJKPGZ-HNNXBMFYSA-N 2 2 273.355 3.196 20 0 CGADLP F[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139358731 804183664 /nfs/dbraw/zinc/18/36/64/804183664.db2.gz WNCVUPGEJJKPGZ-HNNXBMFYSA-N 2 2 273.355 3.196 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC001246168685 804184901 /nfs/dbraw/zinc/18/49/01/804184901.db2.gz FLPCNSWXYXUZRA-OLZOCXBDSA-N 2 2 252.427 3.321 20 0 CGADLP COc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246187068 804198537 /nfs/dbraw/zinc/19/85/37/804198537.db2.gz LJDUFNXHEVAUCY-WBMJQRKESA-N 2 2 294.414 3.091 20 0 CGADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC001246196533 804203666 /nfs/dbraw/zinc/20/36/66/804203666.db2.gz TZIILLGRGPQBPP-CYBMUJFWSA-N 2 2 286.341 3.282 20 0 CGADLP CC[C@H]1CC([NH2+]Cc2cccc(F)c2F)C[C@H](CC)[NH2+]1 ZINC001246226467 804220344 /nfs/dbraw/zinc/22/03/44/804220344.db2.gz QTPYZUXAZBUBBP-STQMWFEESA-N 2 2 282.378 3.364 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246271457 804250117 /nfs/dbraw/zinc/25/01/17/804250117.db2.gz ISXUOYXZWWDJDC-KCXAZCMYSA-N 2 2 264.388 3.397 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCCC[NH2+]C2)C2CC2)cc1 ZINC001246312611 804273625 /nfs/dbraw/zinc/27/36/25/804273625.db2.gz GPBGVTARYXCGES-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246324609 804282067 /nfs/dbraw/zinc/28/20/67/804282067.db2.gz GBNJMARBDSWCFA-WFASDCNBSA-N 2 2 296.455 3.284 20 0 CGADLP FC(F)(F)c1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246375691 804310115 /nfs/dbraw/zinc/31/01/15/804310115.db2.gz KEWKZNZXIHILDQ-AWEZNQCLSA-N 2 2 298.352 3.426 20 0 CGADLP FC(F)(F)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC001246411334 804325230 /nfs/dbraw/zinc/32/52/30/804325230.db2.gz BXKSCUZEQSBCME-DZGCQCFKSA-N 2 2 298.352 3.424 20 0 CGADLP CC[C@]1([NH2+][C@H](C)CSc2ccc(C)cc2)CC[NH2+]C1 ZINC001246462238 804343923 /nfs/dbraw/zinc/34/39/23/804343923.db2.gz RTGNEKJGLSMFLE-ZBFHGGJFSA-N 2 2 278.465 3.207 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cn3)C[C@@H]2C1 ZINC001140000164 804348444 /nfs/dbraw/zinc/34/84/44/804348444.db2.gz FQRDNRZKVJRONY-HDICACEKSA-N 2 2 295.430 3.008 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cn3)C[C@@H]2C1 ZINC001140000164 804348452 /nfs/dbraw/zinc/34/84/52/804348452.db2.gz FQRDNRZKVJRONY-HDICACEKSA-N 2 2 295.430 3.008 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cn3)C[C@@H]2C1 ZINC001140000164 804348459 /nfs/dbraw/zinc/34/84/59/804348459.db2.gz FQRDNRZKVJRONY-HDICACEKSA-N 2 2 295.430 3.008 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4cn3)C[C@@H]2C1 ZINC001140000164 804348467 /nfs/dbraw/zinc/34/84/67/804348467.db2.gz FQRDNRZKVJRONY-HDICACEKSA-N 2 2 295.430 3.008 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001140026659 804356732 /nfs/dbraw/zinc/35/67/32/804356732.db2.gz PAFXAXUDRGYFGF-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001140026659 804356741 /nfs/dbraw/zinc/35/67/41/804356741.db2.gz PAFXAXUDRGYFGF-GOSISDBHSA-N 2 2 299.418 3.038 20 0 CGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CCC2 ZINC001246503154 804364224 /nfs/dbraw/zinc/36/42/24/804364224.db2.gz YRYRSUSVKAEENN-BLLLJJGKSA-N 2 2 280.362 3.074 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246544380 804393271 /nfs/dbraw/zinc/39/32/71/804393271.db2.gz VFHVKWOFYAKSHS-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246544380 804393278 /nfs/dbraw/zinc/39/32/78/804393278.db2.gz VFHVKWOFYAKSHS-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570682 804417498 /nfs/dbraw/zinc/41/74/98/804417498.db2.gz SGOCRKZYYGFYGJ-YUELXQCFSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570682 804417503 /nfs/dbraw/zinc/41/75/03/804417503.db2.gz SGOCRKZYYGFYGJ-YUELXQCFSA-N 2 2 292.854 3.257 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@](F)(C[NH3+])C1)CC2 ZINC001246585128 804427413 /nfs/dbraw/zinc/42/74/13/804427413.db2.gz YRLUEBOHOLUBRJ-ROUUACIJSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@](F)(C[NH3+])C1)CC2 ZINC001246585128 804427414 /nfs/dbraw/zinc/42/74/14/804427414.db2.gz YRLUEBOHOLUBRJ-ROUUACIJSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614945 804449271 /nfs/dbraw/zinc/44/92/71/804449271.db2.gz PLHCEMZAMPAGQD-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001246614945 804449275 /nfs/dbraw/zinc/44/92/75/804449275.db2.gz PLHCEMZAMPAGQD-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246650595 804478956 /nfs/dbraw/zinc/47/89/56/804478956.db2.gz ATXYHPZTNQFUGI-WMLDXEAASA-N 2 2 262.441 3.303 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246650595 804478961 /nfs/dbraw/zinc/47/89/61/804478961.db2.gz ATXYHPZTNQFUGI-WMLDXEAASA-N 2 2 262.441 3.303 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656200 804480875 /nfs/dbraw/zinc/48/08/75/804480875.db2.gz MRZRNOMZPNWEHX-UNQWWWNPSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246656200 804480878 /nfs/dbraw/zinc/48/08/78/804480878.db2.gz MRZRNOMZPNWEHX-UNQWWWNPSA-N 2 2 270.420 3.136 20 0 CGADLP CC[N@H+](Cc1cccc2ccncc21)C1CC[NH+](C)CC1 ZINC001140645271 804483196 /nfs/dbraw/zinc/48/31/96/804483196.db2.gz NGODPORRAWPXGT-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cccc2ccncc21)C1CC[NH+](C)CC1 ZINC001140645271 804483197 /nfs/dbraw/zinc/48/31/97/804483197.db2.gz NGODPORRAWPXGT-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246663452 804485594 /nfs/dbraw/zinc/48/55/94/804485594.db2.gz UZXCLXGPKSFRJH-WQGACYEGSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001246663452 804485598 /nfs/dbraw/zinc/48/55/98/804485598.db2.gz UZXCLXGPKSFRJH-WQGACYEGSA-N 2 2 296.817 3.094 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246669502 804488263 /nfs/dbraw/zinc/48/82/63/804488263.db2.gz AUQFZYGVCVEDIQ-LALPHHSUSA-N 2 2 296.867 3.114 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246669502 804488268 /nfs/dbraw/zinc/48/82/68/804488268.db2.gz AUQFZYGVCVEDIQ-LALPHHSUSA-N 2 2 296.867 3.114 20 0 CGADLP CC1(C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802505 804520187 /nfs/dbraw/zinc/52/01/87/804520187.db2.gz XHZYJLXZHYZYTL-UHFFFAOYSA-N 2 2 279.334 3.430 20 0 CGADLP CC1(C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802505 804520189 /nfs/dbraw/zinc/52/01/89/804520189.db2.gz XHZYJLXZHYZYTL-UHFFFAOYSA-N 2 2 279.334 3.430 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(OC2CCC2)CC1 ZINC001140802589 804521068 /nfs/dbraw/zinc/52/10/68/804521068.db2.gz ZWMSBKUAGJLZBW-UHFFFAOYSA-N 2 2 285.391 3.096 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805627 804523577 /nfs/dbraw/zinc/52/35/77/804523577.db2.gz CCWAYSUWAXWTOH-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805627 804523580 /nfs/dbraw/zinc/52/35/80/804523580.db2.gz CCWAYSUWAXWTOH-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246823126 804537797 /nfs/dbraw/zinc/53/77/97/804537797.db2.gz NJXSJKGDPLYYNL-KWCYVHTRSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246823126 804537802 /nfs/dbraw/zinc/53/78/02/804537802.db2.gz NJXSJKGDPLYYNL-KWCYVHTRSA-N 2 2 278.827 3.009 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H](C)CC[NH2+]C ZINC001246846728 804555510 /nfs/dbraw/zinc/55/55/10/804555510.db2.gz QNCIYJMUGTVXOP-ARFHVFGLSA-N 2 2 270.461 3.248 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H](C)CC[NH2+]C ZINC001246846728 804555514 /nfs/dbraw/zinc/55/55/14/804555514.db2.gz QNCIYJMUGTVXOP-ARFHVFGLSA-N 2 2 270.461 3.248 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848579 804558862 /nfs/dbraw/zinc/55/88/62/804558862.db2.gz WOUCXAUEPNMVPH-YUGHNKOSSA-N 2 2 292.467 3.309 20 0 CGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848579 804558865 /nfs/dbraw/zinc/55/88/65/804558865.db2.gz WOUCXAUEPNMVPH-YUGHNKOSSA-N 2 2 292.467 3.309 20 0 CGADLP CC1(C)CCC2(CC[NH+](Cc3ccn4cc[nH+]c4c3)CC2)O1 ZINC001141049554 804578369 /nfs/dbraw/zinc/57/83/69/804578369.db2.gz JQGHHJFOSKGRPE-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1)[C@H]1CCCC[NH2+]C1 ZINC001246902787 804588106 /nfs/dbraw/zinc/58/81/06/804588106.db2.gz VFJXKLBCYLEDLJ-HNNXBMFYSA-N 2 2 266.816 3.304 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCCC[NH2+]C1 ZINC001246902787 804588112 /nfs/dbraw/zinc/58/81/12/804588112.db2.gz VFJXKLBCYLEDLJ-HNNXBMFYSA-N 2 2 266.816 3.304 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001246940545 804611059 /nfs/dbraw/zinc/61/10/59/804611059.db2.gz WITBSRZFCKCUDR-XUJVJEKNSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001246940545 804611060 /nfs/dbraw/zinc/61/10/60/804611060.db2.gz WITBSRZFCKCUDR-XUJVJEKNSA-N 2 2 266.816 3.083 20 0 CGADLP CC[C@@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246940107 804611166 /nfs/dbraw/zinc/61/11/66/804611166.db2.gz XBZPNZWCNGRTCW-CJNGLKHVSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246940107 804611167 /nfs/dbraw/zinc/61/11/67/804611167.db2.gz XBZPNZWCNGRTCW-CJNGLKHVSA-N 2 2 264.388 3.178 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246947982 804613836 /nfs/dbraw/zinc/61/38/36/804613836.db2.gz ONAHVPRCFBETRX-NORZTCDRSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246947982 804613838 /nfs/dbraw/zinc/61/38/38/804613838.db2.gz ONAHVPRCFBETRX-NORZTCDRSA-N 2 2 280.362 3.242 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237414 804620710 /nfs/dbraw/zinc/62/07/10/804620710.db2.gz SPRULPBENXHGAW-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP COc1cc2[nH+]c(C3CC4(C3)CC[NH2+]CC4)[nH]c2cc1C ZINC001247009890 804638919 /nfs/dbraw/zinc/63/89/19/804638919.db2.gz FAVMXQOSDHBMGK-UHFFFAOYSA-N 2 2 285.391 3.127 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc(OC(F)F)[nH+]1 ZINC001165300729 806990464 /nfs/dbraw/zinc/99/04/64/806990464.db2.gz RVLIFRHCJUCHHG-GFCCVEGCSA-N 2 2 299.365 3.135 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)cc(OC(F)F)[nH+]1 ZINC001165300729 806990468 /nfs/dbraw/zinc/99/04/68/806990468.db2.gz RVLIFRHCJUCHHG-GFCCVEGCSA-N 2 2 299.365 3.135 20 0 CGADLP CC(C)Oc1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC001165277839 806984645 /nfs/dbraw/zinc/98/46/45/806984645.db2.gz AOOKRMPJUOKQEQ-AWEZNQCLSA-N 2 2 277.412 3.013 20 0 CGADLP CC(C)Oc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165277839 806984650 /nfs/dbraw/zinc/98/46/50/806984650.db2.gz AOOKRMPJUOKQEQ-AWEZNQCLSA-N 2 2 277.412 3.013 20 0 CGADLP C[C@@H]1CC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC001257099562 807051947 /nfs/dbraw/zinc/05/19/47/807051947.db2.gz CZXSKHDWIRELAA-HUUCEWRRSA-N 2 2 299.418 3.260 20 0 CGADLP C[C@@H]1CC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC001257099562 807051956 /nfs/dbraw/zinc/05/19/56/807051956.db2.gz CZXSKHDWIRELAA-HUUCEWRRSA-N 2 2 299.418 3.260 20 0 CGADLP c1cc2c(c(C[NH+]3CC4(C3)CC[N@@H+](CC3CC3)C4)c1)CCC2 ZINC001249457637 805154658 /nfs/dbraw/zinc/15/46/58/805154658.db2.gz NMVVZLSRCMDWIQ-UHFFFAOYSA-N 2 2 296.458 3.093 20 0 CGADLP c1cc2c(c(C[NH+]3CC4(C3)CC[N@H+](CC3CC3)C4)c1)CCC2 ZINC001249457637 805154662 /nfs/dbraw/zinc/15/46/62/805154662.db2.gz NMVVZLSRCMDWIQ-UHFFFAOYSA-N 2 2 296.458 3.093 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(F)cc2OC)CC1 ZINC001250108537 805422006 /nfs/dbraw/zinc/42/20/06/805422006.db2.gz BLUABQWQEQAKST-UHFFFAOYSA-N 2 2 294.414 3.059 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(F)cc2OC)CC1 ZINC001250108537 805422013 /nfs/dbraw/zinc/42/20/13/805422013.db2.gz BLUABQWQEQAKST-UHFFFAOYSA-N 2 2 294.414 3.059 20 0 CGADLP Fc1ccc2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc2c1 ZINC001155064853 805532459 /nfs/dbraw/zinc/53/24/59/805532459.db2.gz VHCVSRZZRHIJCC-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC001257201566 807058917 /nfs/dbraw/zinc/05/89/17/807058917.db2.gz GDJAEHQTKUDCRS-MRXNPFEDSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC001166903177 807112339 /nfs/dbraw/zinc/11/23/39/807112339.db2.gz OOIGYTPXRGUWIK-MRXNPFEDSA-N 2 2 273.424 3.173 20 0 CGADLP Cc1cc2cc(NCc3cc[nH+]c(N)c3)ccc2c[nH+]1 ZINC001167619296 807217772 /nfs/dbraw/zinc/21/77/72/807217772.db2.gz XVAZCEFTHKJYLT-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP COc1c[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC001167752178 807241555 /nfs/dbraw/zinc/24/15/55/807241555.db2.gz QVGXPKQAUNVSLO-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP COc1c[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001167752178 807241559 /nfs/dbraw/zinc/24/15/59/807241559.db2.gz QVGXPKQAUNVSLO-CQSZACIVSA-N 2 2 277.412 3.075 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001167834919 807258569 /nfs/dbraw/zinc/25/85/69/807258569.db2.gz NUSBFFUXXPDFIV-QGZVFWFLSA-N 3 2 297.531 3.302 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001167834919 807258575 /nfs/dbraw/zinc/25/85/75/807258575.db2.gz NUSBFFUXXPDFIV-QGZVFWFLSA-N 3 2 297.531 3.302 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001258016930 807267235 /nfs/dbraw/zinc/26/72/35/807267235.db2.gz OGMQUHGSTBFELB-UHFFFAOYSA-N 2 2 295.858 3.287 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC001258016930 807267242 /nfs/dbraw/zinc/26/72/42/807267242.db2.gz OGMQUHGSTBFELB-UHFFFAOYSA-N 2 2 295.858 3.287 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059675 807282453 /nfs/dbraw/zinc/28/24/53/807282453.db2.gz FYOKDISEEJMGNX-DLBZAZTESA-N 3 2 285.520 3.050 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059675 807282456 /nfs/dbraw/zinc/28/24/56/807282456.db2.gz FYOKDISEEJMGNX-DLBZAZTESA-N 3 2 285.520 3.050 20 0 CGADLP Cc1cc2c(cn1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994461 807294622 /nfs/dbraw/zinc/29/46/22/807294622.db2.gz FNWGGKXGUHOBMO-DFNIBXOVSA-N 2 2 297.446 3.111 20 0 CGADLP Cc1cc2c(cn1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994461 807294628 /nfs/dbraw/zinc/29/46/28/807294628.db2.gz FNWGGKXGUHOBMO-DFNIBXOVSA-N 2 2 297.446 3.111 20 0 CGADLP Cc1cc2c(cn1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167994461 807294633 /nfs/dbraw/zinc/29/46/33/807294633.db2.gz FNWGGKXGUHOBMO-DFNIBXOVSA-N 2 2 297.446 3.111 20 0 CGADLP Cc1cc2c(cn1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167994461 807294639 /nfs/dbraw/zinc/29/46/39/807294639.db2.gz FNWGGKXGUHOBMO-DFNIBXOVSA-N 2 2 297.446 3.111 20 0 CGADLP Cc1[nH+]cn(C2C[C@H](C)C[C@@H](C)C2)c1CSCC[NH3+] ZINC001258152802 807322630 /nfs/dbraw/zinc/32/26/30/807322630.db2.gz CAYGWXFCNQLCEO-VXGBXAGGSA-N 2 2 281.469 3.381 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001168171143 807333364 /nfs/dbraw/zinc/33/33/64/807333364.db2.gz VKEOMJFBOMMHRI-CYBMUJFWSA-N 2 2 290.794 3.335 20 0 CGADLP C[C@@H](Cc1ccco1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258183091 807347197 /nfs/dbraw/zinc/34/71/97/807347197.db2.gz HGYYYXQPDSVNMG-ZDUSSCGKSA-N 2 2 281.359 3.406 20 0 CGADLP CC(C)[N@H+]([C@H](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC001258197026 807356667 /nfs/dbraw/zinc/35/66/67/807356667.db2.gz IBEBXNRAOPAPQH-CQSZACIVSA-N 2 2 264.413 3.015 20 0 CGADLP CC(C)[N@@H+]([C@H](C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC001258197026 807356676 /nfs/dbraw/zinc/35/66/76/807356676.db2.gz IBEBXNRAOPAPQH-CQSZACIVSA-N 2 2 264.413 3.015 20 0 CGADLP C[NH+](C)C1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001168312233 807378571 /nfs/dbraw/zinc/37/85/71/807378571.db2.gz MKZWVTBBWUTPRO-UHFFFAOYSA-N 3 2 298.434 3.054 20 0 CGADLP F[C@@H]1CCC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168387284 807399199 /nfs/dbraw/zinc/39/91/99/807399199.db2.gz BSPIOYWXEPWNOZ-MRXNPFEDSA-N 2 2 294.458 3.465 20 0 CGADLP C(C1CC1)[NH+]1CCC([NH+]2C3CCCC2CCC3)CC1 ZINC001168389937 807401502 /nfs/dbraw/zinc/40/15/02/807401502.db2.gz YDXWMIFVJWLFIU-UHFFFAOYSA-N 2 2 262.441 3.268 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001168442953 807416973 /nfs/dbraw/zinc/41/69/73/807416973.db2.gz YACOIYRDRKJBAC-SFHVURJKSA-N 2 2 299.393 3.217 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168468761 807427879 /nfs/dbraw/zinc/42/78/79/807427879.db2.gz OCTWGBGLDNWHJD-JKSUJKDBSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258453896 807460885 /nfs/dbraw/zinc/46/08/85/807460885.db2.gz GANXFLNGVPFIQV-AWEZNQCLSA-N 2 2 288.435 3.135 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCn1cc[nH+]c1 ZINC001258672920 807537932 /nfs/dbraw/zinc/53/79/32/807537932.db2.gz LFDXVUYGARGUIX-NSHDSACASA-N 2 2 298.217 3.411 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1C[NH+](C)C1 ZINC001258678462 807540527 /nfs/dbraw/zinc/54/05/27/807540527.db2.gz GYSMFZMEWXDERZ-SNVBAGLBSA-N 2 2 287.234 3.076 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001169069968 807566592 /nfs/dbraw/zinc/56/65/92/807566592.db2.gz LUBKLPRCSOBBOV-KRWDZBQOSA-N 2 2 285.435 3.210 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794310 807616895 /nfs/dbraw/zinc/61/68/95/807616895.db2.gz KJNHAJUZQOLDJA-HOTGVXAUSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794310 807616900 /nfs/dbraw/zinc/61/69/00/807616900.db2.gz KJNHAJUZQOLDJA-HOTGVXAUSA-N 2 2 284.488 3.244 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258810034 807629250 /nfs/dbraw/zinc/62/92/50/807629250.db2.gz GXUGDFHWDASFIT-RDJZCZTQSA-N 2 2 287.451 3.466 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H](C)C2)C1 ZINC001258830200 807646079 /nfs/dbraw/zinc/64/60/79/807646079.db2.gz KTDZCDOWXPRUOJ-CWRNSKLLSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCC[C@H](C)C2)C1 ZINC001258830200 807646083 /nfs/dbraw/zinc/64/60/83/807646083.db2.gz KTDZCDOWXPRUOJ-CWRNSKLLSA-N 2 2 274.408 3.422 20 0 CGADLP c1ccc(COc2cc(NCC[C@H]3CCC[NH2+]3)cc[nH+]2)cc1 ZINC001169564140 807667464 /nfs/dbraw/zinc/66/74/64/807667464.db2.gz HAVVSGWIRCYFSG-MRXNPFEDSA-N 2 2 297.402 3.215 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001170109152 807759491 /nfs/dbraw/zinc/75/94/91/807759491.db2.gz KVSWPNGXYILSEP-WDSOQIARSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]1CCCCN1c1cccc(NC[C@H]2CCCC[NH2+]2)[nH+]1 ZINC001171331145 808027870 /nfs/dbraw/zinc/02/78/70/808027870.db2.gz ZMZMEABXDPOWOT-LSDHHAIUSA-N 2 2 288.439 3.014 20 0 CGADLP Cc1[nH+]cn([C@H](C)CCc2ccc(C)cc2)c1CC[NH3+] ZINC001171657137 808112186 /nfs/dbraw/zinc/11/21/86/808112186.db2.gz CICBNFLQMHRFEF-CQSZACIVSA-N 2 2 271.408 3.195 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171656203 808112725 /nfs/dbraw/zinc/11/27/25/808112725.db2.gz XAHDFNZDGDURTR-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171656203 808112727 /nfs/dbraw/zinc/11/27/27/808112727.db2.gz XAHDFNZDGDURTR-AEFFLSMTSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171656204 808112735 /nfs/dbraw/zinc/11/27/35/808112735.db2.gz XAHDFNZDGDURTR-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171656204 808112738 /nfs/dbraw/zinc/11/27/38/808112738.db2.gz XAHDFNZDGDURTR-WMZOPIPTSA-N 2 2 274.452 3.390 20 0 CGADLP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001172256434 808209238 /nfs/dbraw/zinc/20/92/38/808209238.db2.gz WEKMPIVHOBMJTP-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001172256434 808209243 /nfs/dbraw/zinc/20/92/43/808209243.db2.gz WEKMPIVHOBMJTP-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC001172366970 808262349 /nfs/dbraw/zinc/26/23/49/808262349.db2.gz IQQYNFWDCMWLIV-IPYPFGDCSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC001172380097 808273789 /nfs/dbraw/zinc/27/37/89/808273789.db2.gz QNUPZOXSPLZFRU-QPSCCSFWSA-N 2 2 261.413 3.347 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172394277 808283613 /nfs/dbraw/zinc/28/36/13/808283613.db2.gz QCEKJVKHXNFVRM-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172394277 808283619 /nfs/dbraw/zinc/28/36/19/808283619.db2.gz QCEKJVKHXNFVRM-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)c1ccc(N(C)c2cc(N)cc[nH+]2)cc1 ZINC001212969883 815192417 /nfs/dbraw/zinc/19/24/17/815192417.db2.gz GXOBJTVHIDIIGY-UHFFFAOYSA-N 2 2 270.380 3.278 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172538259 808370339 /nfs/dbraw/zinc/37/03/39/808370339.db2.gz NUTLGEWROIVJSE-CVEARBPZSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564305 808391844 /nfs/dbraw/zinc/39/18/44/808391844.db2.gz UYEGIOUORGMKDB-IAGOWNOFSA-N 2 2 281.403 3.343 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172564305 808391854 /nfs/dbraw/zinc/39/18/54/808391854.db2.gz UYEGIOUORGMKDB-IAGOWNOFSA-N 2 2 281.403 3.343 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC001172853321 808461750 /nfs/dbraw/zinc/46/17/50/808461750.db2.gz ZUVWMVCKJUOFJE-LLVKDONJSA-N 2 2 284.806 3.223 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCC(C)([NH3+])CC1 ZINC001172853322 808461833 /nfs/dbraw/zinc/46/18/33/808461833.db2.gz ZUVWMVCKJUOFJE-NSHDSACASA-N 2 2 284.806 3.223 20 0 CGADLP C[N@@H+]1CCc2ccc(Nc3cccc4[nH+]c[nH]c43)cc2C1 ZINC001213034422 815207777 /nfs/dbraw/zinc/20/77/77/815207777.db2.gz JDWLIXIAKBOIJO-UHFFFAOYSA-N 2 2 278.359 3.294 20 0 CGADLP C[N@H+]1CCc2ccc(Nc3cccc4[nH+]c[nH]c43)cc2C1 ZINC001213034422 815207778 /nfs/dbraw/zinc/20/77/78/815207778.db2.gz JDWLIXIAKBOIJO-UHFFFAOYSA-N 2 2 278.359 3.294 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172866534 808468796 /nfs/dbraw/zinc/46/87/96/808468796.db2.gz UMHZFAUUEFOMMW-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172866534 808468800 /nfs/dbraw/zinc/46/88/00/808468800.db2.gz UMHZFAUUEFOMMW-BLLLJJGKSA-N 2 2 298.833 3.484 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC001173246036 808553758 /nfs/dbraw/zinc/55/37/58/808553758.db2.gz LYAYGMAACGJHNS-OAHLLOKOSA-N 2 2 251.418 3.468 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282064 808582451 /nfs/dbraw/zinc/58/24/51/808582451.db2.gz CTJRVWQSIACWEU-BZUAXINKSA-N 2 2 274.408 3.422 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282064 808582455 /nfs/dbraw/zinc/58/24/55/808582455.db2.gz CTJRVWQSIACWEU-BZUAXINKSA-N 2 2 274.408 3.422 20 0 CGADLP c1cn2cc(Nc3ccc[nH+]c3N3CCCC3)ccc2[nH+]1 ZINC001174277515 808924532 /nfs/dbraw/zinc/92/45/32/808924532.db2.gz XNUDYNQFZVGWOH-UHFFFAOYSA-N 2 2 279.347 3.073 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(F)F ZINC001275682604 808956807 /nfs/dbraw/zinc/95/68/07/808956807.db2.gz ZKTQVNLDGMSHAL-AGUYFDCRSA-N 2 2 296.361 3.003 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC(F)F ZINC001275682604 808956810 /nfs/dbraw/zinc/95/68/10/808956810.db2.gz ZKTQVNLDGMSHAL-AGUYFDCRSA-N 2 2 296.361 3.003 20 0 CGADLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001277799463 809097188 /nfs/dbraw/zinc/09/71/88/809097188.db2.gz SXUMSHJPIGVNHZ-INIZCTEOSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001277799463 809097198 /nfs/dbraw/zinc/09/71/98/809097198.db2.gz SXUMSHJPIGVNHZ-INIZCTEOSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001277799463 809097203 /nfs/dbraw/zinc/09/72/03/809097203.db2.gz SXUMSHJPIGVNHZ-INIZCTEOSA-N 2 2 293.480 3.148 20 0 CGADLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001277799463 809097209 /nfs/dbraw/zinc/09/72/09/809097209.db2.gz SXUMSHJPIGVNHZ-INIZCTEOSA-N 2 2 293.480 3.148 20 0 CGADLP CCc1cc(Nc2cc(C3CC3)c[nH+]c2C)cc[nH+]1 ZINC001213495197 815289599 /nfs/dbraw/zinc/28/95/99/815289599.db2.gz VPFCTEGTTGXBNK-UHFFFAOYSA-N 2 2 253.349 3.390 20 0 CGADLP Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc(C)[nH+]1 ZINC001176055318 809609988 /nfs/dbraw/zinc/60/99/88/809609988.db2.gz DGCDGRZTGRNRMM-UHFFFAOYSA-N 2 2 278.359 3.109 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001177200234 809787597 /nfs/dbraw/zinc/78/75/97/809787597.db2.gz USQQYCDJSVAIFV-QLFBSQMISA-N 2 2 272.502 3.227 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(F)cc1F ZINC001181436303 810052721 /nfs/dbraw/zinc/05/27/21/810052721.db2.gz OXMDLRPPFGCWET-MRXNPFEDSA-N 2 2 296.405 3.217 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(F)cc1F ZINC001181436303 810052725 /nfs/dbraw/zinc/05/27/25/810052725.db2.gz OXMDLRPPFGCWET-MRXNPFEDSA-N 2 2 296.405 3.217 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1(C)C ZINC001182310053 810104508 /nfs/dbraw/zinc/10/45/08/810104508.db2.gz SZTIEHALXDFBNQ-HUUCEWRRSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1(C)C ZINC001182310053 810104511 /nfs/dbraw/zinc/10/45/11/810104511.db2.gz SZTIEHALXDFBNQ-HUUCEWRRSA-N 2 2 282.472 3.043 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919261 810130849 /nfs/dbraw/zinc/13/08/49/810130849.db2.gz YDAQFEPTWCSRMQ-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182919261 810130853 /nfs/dbraw/zinc/13/08/53/810130853.db2.gz YDAQFEPTWCSRMQ-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001196789817 811366688 /nfs/dbraw/zinc/36/66/88/811366688.db2.gz OEHGEOYWILMRIO-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001196789817 811366697 /nfs/dbraw/zinc/36/66/97/811366697.db2.gz OEHGEOYWILMRIO-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001196789817 811366706 /nfs/dbraw/zinc/36/67/06/811366706.db2.gz OEHGEOYWILMRIO-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC001196789817 811366718 /nfs/dbraw/zinc/36/67/18/811366718.db2.gz OEHGEOYWILMRIO-OLZOCXBDSA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001201395879 811827388 /nfs/dbraw/zinc/82/73/88/811827388.db2.gz DCTYPWFVEIJRKV-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1 ZINC001203744404 812450058 /nfs/dbraw/zinc/45/00/58/812450058.db2.gz CKEWMICUNKVZNQ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(C)c1 ZINC001203744404 812450062 /nfs/dbraw/zinc/45/00/62/812450062.db2.gz CKEWMICUNKVZNQ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1 ZINC001203744404 812450066 /nfs/dbraw/zinc/45/00/66/812450066.db2.gz CKEWMICUNKVZNQ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1 ZINC001203744404 812450073 /nfs/dbraw/zinc/45/00/73/812450073.db2.gz CKEWMICUNKVZNQ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203755813 812455128 /nfs/dbraw/zinc/45/51/28/812455128.db2.gz WFMONNNMXOCREM-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203755813 812455132 /nfs/dbraw/zinc/45/51/32/812455132.db2.gz WFMONNNMXOCREM-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001203789370 812462281 /nfs/dbraw/zinc/46/22/81/812462281.db2.gz WHCMSJBRFAYMDW-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001203789370 812462284 /nfs/dbraw/zinc/46/22/84/812462284.db2.gz WHCMSJBRFAYMDW-INIZCTEOSA-N 2 2 286.350 3.182 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC001204620933 812692631 /nfs/dbraw/zinc/69/26/31/812692631.db2.gz RUXUITVUZDWMIG-UHFFFAOYSA-N 2 2 292.386 3.055 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204772443 812732084 /nfs/dbraw/zinc/73/20/84/812732084.db2.gz VSKCEUMESCQGMH-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204772443 812732092 /nfs/dbraw/zinc/73/20/92/812732092.db2.gz VSKCEUMESCQGMH-GOSISDBHSA-N 2 2 284.378 3.416 20 0 CGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204783090 812735285 /nfs/dbraw/zinc/73/52/85/812735285.db2.gz OLTYDPWKMLYINQ-LJQANCHMSA-N 2 2 278.399 3.181 20 0 CGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001204783090 812735287 /nfs/dbraw/zinc/73/52/87/812735287.db2.gz OLTYDPWKMLYINQ-LJQANCHMSA-N 2 2 278.399 3.181 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204932819 812782314 /nfs/dbraw/zinc/78/23/14/812782314.db2.gz NDOVXNQJCHPZBV-INIZCTEOSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204932819 812782318 /nfs/dbraw/zinc/78/23/18/812782318.db2.gz NDOVXNQJCHPZBV-INIZCTEOSA-N 2 2 290.451 3.404 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001205093782 812858670 /nfs/dbraw/zinc/85/86/70/812858670.db2.gz GDJSAKAEHNUJCP-ZDUSSCGKSA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001205093782 812858675 /nfs/dbraw/zinc/85/86/75/812858675.db2.gz GDJSAKAEHNUJCP-ZDUSSCGKSA-N 2 2 273.207 3.307 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205325134 812954829 /nfs/dbraw/zinc/95/48/29/812954829.db2.gz JYRDWEVTUHIUHA-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001205325134 812954832 /nfs/dbraw/zinc/95/48/32/812954832.db2.gz JYRDWEVTUHIUHA-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205333141 812960010 /nfs/dbraw/zinc/96/00/10/812960010.db2.gz WZMGSGYCHVFELP-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205333141 812960013 /nfs/dbraw/zinc/96/00/13/812960013.db2.gz WZMGSGYCHVFELP-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCC[C@H]1C ZINC001205435054 812982267 /nfs/dbraw/zinc/98/22/67/812982267.db2.gz UUMNAVJZKPWKCA-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc2oc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205815587 813091782 /nfs/dbraw/zinc/09/17/82/813091782.db2.gz HRPSQYRRIOOABK-JSGCOSHPSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205815587 813091789 /nfs/dbraw/zinc/09/17/89/813091789.db2.gz HRPSQYRRIOOABK-JSGCOSHPSA-N 2 2 288.391 3.001 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205816320 813094631 /nfs/dbraw/zinc/09/46/31/813094631.db2.gz LTUCXOSKGRPNDI-STQMWFEESA-N 2 2 266.454 3.260 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205816320 813094644 /nfs/dbraw/zinc/09/46/44/813094644.db2.gz LTUCXOSKGRPNDI-STQMWFEESA-N 2 2 266.454 3.260 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001205903028 813125180 /nfs/dbraw/zinc/12/51/80/813125180.db2.gz NDNBMCMFNJJWKQ-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001205903028 813125182 /nfs/dbraw/zinc/12/51/82/813125182.db2.gz NDNBMCMFNJJWKQ-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001205904274 813126785 /nfs/dbraw/zinc/12/67/85/813126785.db2.gz UCZIJVRSPHPREM-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001205904274 813126788 /nfs/dbraw/zinc/12/67/88/813126788.db2.gz UCZIJVRSPHPREM-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205932259 813138982 /nfs/dbraw/zinc/13/89/82/813138982.db2.gz PAEZNOSKACKVPV-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205932259 813138986 /nfs/dbraw/zinc/13/89/86/813138986.db2.gz PAEZNOSKACKVPV-GFCCVEGCSA-N 2 2 252.427 3.014 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205938375 813140598 /nfs/dbraw/zinc/14/05/98/813140598.db2.gz GZBPGDKTQHYSNU-QGZVFWFLSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001205938375 813140601 /nfs/dbraw/zinc/14/06/01/813140601.db2.gz GZBPGDKTQHYSNU-QGZVFWFLSA-N 2 2 290.451 3.404 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1[NH3+] ZINC001206065498 813188471 /nfs/dbraw/zinc/18/84/71/813188471.db2.gz YPZGZRYFLKQUPP-BFUOFWGJSA-N 2 2 278.399 3.037 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1[NH3+] ZINC001206065498 813188475 /nfs/dbraw/zinc/18/84/75/813188475.db2.gz YPZGZRYFLKQUPP-BFUOFWGJSA-N 2 2 278.399 3.037 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2sc(C)nc2C)CC1 ZINC001206192286 813233236 /nfs/dbraw/zinc/23/32/36/813233236.db2.gz OWYLJENLCDIIER-UHFFFAOYSA-N 2 2 295.496 3.456 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2sc(C)nc2C)CC1 ZINC001206192286 813233239 /nfs/dbraw/zinc/23/32/39/813233239.db2.gz OWYLJENLCDIIER-UHFFFAOYSA-N 2 2 295.496 3.456 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206213407 813242365 /nfs/dbraw/zinc/24/23/65/813242365.db2.gz VCKRQYWPSSBFMR-KGLIPLIRSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206213407 813242373 /nfs/dbraw/zinc/24/23/73/813242373.db2.gz VCKRQYWPSSBFMR-KGLIPLIRSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1F ZINC001206549368 813349837 /nfs/dbraw/zinc/34/98/37/813349837.db2.gz MAHQSCDBCQFNQX-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1F ZINC001206549368 813349845 /nfs/dbraw/zinc/34/98/45/813349845.db2.gz MAHQSCDBCQFNQX-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001206660536 813390947 /nfs/dbraw/zinc/39/09/47/813390947.db2.gz DUQNDFNXDCIJTK-VVLHAWIVSA-N 2 2 264.457 3.133 20 0 CGADLP COc1cc(C)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001206781618 813436848 /nfs/dbraw/zinc/43/68/48/813436848.db2.gz CQYPUMNQXIQHOT-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001206781618 813436851 /nfs/dbraw/zinc/43/68/51/813436851.db2.gz CQYPUMNQXIQHOT-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812600 813445822 /nfs/dbraw/zinc/44/58/22/813445822.db2.gz ZUHSLHXOWUOKTQ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206812600 813445826 /nfs/dbraw/zinc/44/58/26/813445826.db2.gz ZUHSLHXOWUOKTQ-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cncc(F)c1 ZINC001207024037 813467732 /nfs/dbraw/zinc/46/77/32/813467732.db2.gz UUQMRXQMBLXAHL-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cncc(F)c1 ZINC001207024037 813467735 /nfs/dbraw/zinc/46/77/35/813467735.db2.gz UUQMRXQMBLXAHL-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001207024037 813467738 /nfs/dbraw/zinc/46/77/38/813467738.db2.gz UUQMRXQMBLXAHL-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001207024037 813467742 /nfs/dbraw/zinc/46/77/42/813467742.db2.gz UUQMRXQMBLXAHL-DLBZAZTESA-N 2 2 291.414 3.060 20 0 CGADLP CS[C@H](C)CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208147230 813707021 /nfs/dbraw/zinc/70/70/21/813707021.db2.gz GQIQKDSYRCILDI-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP CS[C@H](C)CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001208147230 813707026 /nfs/dbraw/zinc/70/70/26/813707026.db2.gz GQIQKDSYRCILDI-CQSZACIVSA-N 2 2 284.513 3.467 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774230 /nfs/dbraw/zinc/77/42/30/813774230.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774232 /nfs/dbraw/zinc/77/42/32/813774232.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774234 /nfs/dbraw/zinc/77/42/34/813774234.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774237 /nfs/dbraw/zinc/77/42/37/813774237.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(F)(F)F ZINC001208901224 813891741 /nfs/dbraw/zinc/89/17/41/813891741.db2.gz LJTKDXHWHDAGHZ-LBPRGKRZSA-N 2 2 278.362 3.135 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001209453006 814047685 /nfs/dbraw/zinc/04/76/85/814047685.db2.gz CAALKGNXKBLWMD-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(C[NH+]1CCCCC1)C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001209453006 814047694 /nfs/dbraw/zinc/04/76/94/814047694.db2.gz CAALKGNXKBLWMD-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c[nH]c21 ZINC001209494252 814062781 /nfs/dbraw/zinc/06/27/81/814062781.db2.gz OLLNWWOBDROLLG-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c[nH]c21 ZINC001209494252 814062785 /nfs/dbraw/zinc/06/27/85/814062785.db2.gz OLLNWWOBDROLLG-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c21 ZINC001209494252 814062789 /nfs/dbraw/zinc/06/27/89/814062789.db2.gz OLLNWWOBDROLLG-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c21 ZINC001209494252 814062792 /nfs/dbraw/zinc/06/27/92/814062792.db2.gz OLLNWWOBDROLLG-PBHICJAKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc(Nc2ccc(OCCC[NH+](C)C)cc2)[nH+]c1 ZINC001211011326 814706642 /nfs/dbraw/zinc/70/66/42/814706642.db2.gz QPHZAURMKMPJCP-UHFFFAOYSA-N 2 2 285.391 3.464 20 0 CGADLP CSc1cncc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242949051 823184764 /nfs/dbraw/zinc/18/47/64/823184764.db2.gz KPBNSIFTKZUREJ-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP CSc1cncc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242949051 823184765 /nfs/dbraw/zinc/18/47/65/823184765.db2.gz KPBNSIFTKZUREJ-INIZCTEOSA-N 2 2 299.443 3.004 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160261 816364008 /nfs/dbraw/zinc/36/40/08/816364008.db2.gz DILWUUMTOKKATO-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cs1 ZINC001222160261 816364016 /nfs/dbraw/zinc/36/40/16/816364016.db2.gz DILWUUMTOKKATO-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243868 816384524 /nfs/dbraw/zinc/38/45/24/816384524.db2.gz QCNRZCFCVUDKGN-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222243868 816384532 /nfs/dbraw/zinc/38/45/32/816384532.db2.gz QCNRZCFCVUDKGN-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001222243125 816384851 /nfs/dbraw/zinc/38/48/51/816384851.db2.gz ITXABEIFQUPZPO-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(C)c1 ZINC001222243125 816384859 /nfs/dbraw/zinc/38/48/59/816384859.db2.gz ITXABEIFQUPZPO-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222247144 816385938 /nfs/dbraw/zinc/38/59/38/816385938.db2.gz CYPIZNMUMLJZBA-HNNXBMFYSA-N 2 2 264.438 3.029 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)s1 ZINC001222247144 816385944 /nfs/dbraw/zinc/38/59/44/816385944.db2.gz CYPIZNMUMLJZBA-HNNXBMFYSA-N 2 2 264.438 3.029 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)ccc2n1 ZINC001222353707 816417349 /nfs/dbraw/zinc/41/73/49/816417349.db2.gz FRMBWCFNVJWSHE-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)ccc2n1 ZINC001222353707 816417353 /nfs/dbraw/zinc/41/73/53/816417353.db2.gz FRMBWCFNVJWSHE-IBGZPJMESA-N 2 2 295.430 3.261 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385789 816427349 /nfs/dbraw/zinc/42/73/49/816427349.db2.gz WXDVLRWJBSJPIN-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385789 816427355 /nfs/dbraw/zinc/42/73/55/816427355.db2.gz WXDVLRWJBSJPIN-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c12 ZINC001222434195 816443911 /nfs/dbraw/zinc/44/39/11/816443911.db2.gz FVBDRGOJTOYXLO-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c12 ZINC001222434195 816443914 /nfs/dbraw/zinc/44/39/14/816443914.db2.gz FVBDRGOJTOYXLO-LJQANCHMSA-N 2 2 295.430 3.261 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222623317 816480542 /nfs/dbraw/zinc/48/05/42/816480542.db2.gz GJLOHCYSWCKSGQ-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222623317 816480547 /nfs/dbraw/zinc/48/05/47/816480547.db2.gz GJLOHCYSWCKSGQ-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnc(C(F)F)c1 ZINC001231892526 818206293 /nfs/dbraw/zinc/20/62/93/818206293.db2.gz BTLWWOHHCOSIMB-UHFFFAOYSA-N 2 2 285.382 3.183 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnc(C(F)F)c1 ZINC001231892526 818206297 /nfs/dbraw/zinc/20/62/97/818206297.db2.gz BTLWWOHHCOSIMB-UHFFFAOYSA-N 2 2 285.382 3.183 20 0 CGADLP Cc1cc(O)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001232883474 818463207 /nfs/dbraw/zinc/46/32/07/818463207.db2.gz NAWWSHAAYBIQHR-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1cc(O)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001232883474 818463213 /nfs/dbraw/zinc/46/32/13/818463213.db2.gz NAWWSHAAYBIQHR-KRWDZBQOSA-N 2 2 298.386 3.057 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985656 818491790 /nfs/dbraw/zinc/49/17/90/818491790.db2.gz JPVWLOFWNXLODL-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985656 818491791 /nfs/dbraw/zinc/49/17/91/818491791.db2.gz JPVWLOFWNXLODL-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985656 818491796 /nfs/dbraw/zinc/49/17/96/818491796.db2.gz JPVWLOFWNXLODL-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC001232985656 818491801 /nfs/dbraw/zinc/49/18/01/818491801.db2.gz JPVWLOFWNXLODL-MSOLQXFVSA-N 2 2 270.420 3.090 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)cnc2C)CC1 ZINC001232990888 818495023 /nfs/dbraw/zinc/49/50/23/818495023.db2.gz AWHQMGAQNJKDOD-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cnc2C)CC1 ZINC001232990888 818495030 /nfs/dbraw/zinc/49/50/30/818495030.db2.gz AWHQMGAQNJKDOD-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233250909 818555118 /nfs/dbraw/zinc/55/51/18/818555118.db2.gz FHGWKEJAMGSMMA-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233250909 818555123 /nfs/dbraw/zinc/55/51/23/818555123.db2.gz FHGWKEJAMGSMMA-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233250909 818555127 /nfs/dbraw/zinc/55/51/27/818555127.db2.gz FHGWKEJAMGSMMA-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233250909 818555133 /nfs/dbraw/zinc/55/51/33/818555133.db2.gz FHGWKEJAMGSMMA-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001233352488 818594164 /nfs/dbraw/zinc/59/41/64/818594164.db2.gz HCXPLXDCAHYPFW-TXEJJXNPSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001233352488 818594170 /nfs/dbraw/zinc/59/41/70/818594170.db2.gz HCXPLXDCAHYPFW-TXEJJXNPSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001233352488 818594173 /nfs/dbraw/zinc/59/41/73/818594173.db2.gz HCXPLXDCAHYPFW-TXEJJXNPSA-N 2 2 296.867 3.055 20 0 CGADLP CSc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001233352488 818594179 /nfs/dbraw/zinc/59/41/79/818594179.db2.gz HCXPLXDCAHYPFW-TXEJJXNPSA-N 2 2 296.867 3.055 20 0 CGADLP CC1(C)OCCC12CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233363980 818597127 /nfs/dbraw/zinc/59/71/27/818597127.db2.gz JMWMKDLKNNVRKB-UHFFFAOYSA-N 2 2 299.418 3.115 20 0 CGADLP COc1cc(C[NH+]2CCCCCC2)ccc1-n1cc[nH+]c1 ZINC001234033351 818761886 /nfs/dbraw/zinc/76/18/86/818761886.db2.gz RWAONQCDQPZKII-UHFFFAOYSA-N 2 2 285.391 3.257 20 0 CGADLP CCc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001234997706 818971270 /nfs/dbraw/zinc/97/12/70/818971270.db2.gz DXJWCRKZZPGBSP-KRWDZBQOSA-N 2 2 292.854 3.478 20 0 CGADLP CCc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001234997706 818971273 /nfs/dbraw/zinc/97/12/73/818971273.db2.gz DXJWCRKZZPGBSP-KRWDZBQOSA-N 2 2 292.854 3.478 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC001235004699 818976858 /nfs/dbraw/zinc/97/68/58/818976858.db2.gz UCDGGLWJJVXQED-GJZGRUSLSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC001235004699 818976861 /nfs/dbraw/zinc/97/68/61/818976861.db2.gz UCDGGLWJJVXQED-GJZGRUSLSA-N 2 2 298.352 3.074 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC001235030990 818982672 /nfs/dbraw/zinc/98/26/72/818982672.db2.gz KIUOAUDLTCDLLV-QFBILLFUSA-N 2 2 296.389 3.286 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1-c1ccccc1 ZINC001235030990 818982679 /nfs/dbraw/zinc/98/26/79/818982679.db2.gz KIUOAUDLTCDLLV-QFBILLFUSA-N 2 2 296.389 3.286 20 0 CGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033574 818985064 /nfs/dbraw/zinc/98/50/64/818985064.db2.gz YZPHKFSXFKFLMD-OAHLLOKOSA-N 2 2 299.245 3.221 20 0 CGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033574 818985070 /nfs/dbraw/zinc/98/50/70/818985070.db2.gz YZPHKFSXFKFLMD-OAHLLOKOSA-N 2 2 299.245 3.221 20 0 CGADLP Cc1c(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036625 818987146 /nfs/dbraw/zinc/98/71/46/818987146.db2.gz AEEDFOVMTHTONP-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1c(F)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1F ZINC001235036625 818987150 /nfs/dbraw/zinc/98/71/50/818987150.db2.gz AEEDFOVMTHTONP-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1F ZINC001235044778 818990458 /nfs/dbraw/zinc/99/04/58/818990458.db2.gz KJEBUHNOSUDBJF-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(F)c1F ZINC001235044778 818990461 /nfs/dbraw/zinc/99/04/61/818990461.db2.gz KJEBUHNOSUDBJF-QGZVFWFLSA-N 2 2 294.389 3.381 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(N2CCCC2)c1 ZINC001235094553 819001498 /nfs/dbraw/zinc/00/14/98/819001498.db2.gz AZDRNZDRZRYEIR-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(N2CCCC2)c1 ZINC001235094553 819001504 /nfs/dbraw/zinc/00/15/04/819001504.db2.gz AZDRNZDRZRYEIR-UHFFFAOYSA-N 2 2 298.434 3.005 20 0 CGADLP Clc1cccc2[nH]cc(C[N@@H+]3CCC34CC[NH2+]CC4)c21 ZINC001235101926 819002618 /nfs/dbraw/zinc/00/26/18/819002618.db2.gz IRNXFNDWZIDPEH-UHFFFAOYSA-N 2 2 289.810 3.149 20 0 CGADLP Clc1cccc2[nH]cc(C[N@H+]3CCC34CC[NH2+]CC4)c21 ZINC001235101926 819002622 /nfs/dbraw/zinc/00/26/22/819002622.db2.gz IRNXFNDWZIDPEH-UHFFFAOYSA-N 2 2 289.810 3.149 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235117635 819010212 /nfs/dbraw/zinc/01/02/12/819010212.db2.gz QEUDOOFPYWEEBL-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c21 ZINC001235117635 819010216 /nfs/dbraw/zinc/01/02/16/819010216.db2.gz QEUDOOFPYWEEBL-IBGZPJMESA-N 2 2 297.446 3.448 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235118684 819010657 /nfs/dbraw/zinc/01/06/57/819010657.db2.gz GXJWHNDJTVIGGW-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235118684 819010660 /nfs/dbraw/zinc/01/06/60/819010660.db2.gz GXJWHNDJTVIGGW-GOSISDBHSA-N 2 2 270.420 3.282 20 0 CGADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165593 819020637 /nfs/dbraw/zinc/02/06/37/819020637.db2.gz KNSTWUSJSAFASB-HLLBOEOZSA-N 2 2 282.472 3.031 20 0 CGADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165593 819020640 /nfs/dbraw/zinc/02/06/40/819020640.db2.gz KNSTWUSJSAFASB-HLLBOEOZSA-N 2 2 282.472 3.031 20 0 CGADLP COc1c(C)cccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177190 819026826 /nfs/dbraw/zinc/02/68/26/819026826.db2.gz ONRJRPGBQVHOPM-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1c(C)cccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235177190 819026828 /nfs/dbraw/zinc/02/68/28/819026828.db2.gz ONRJRPGBQVHOPM-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185396 819027488 /nfs/dbraw/zinc/02/74/88/819027488.db2.gz SSWQOGMBXMYIJN-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185396 819027495 /nfs/dbraw/zinc/02/74/95/819027495.db2.gz SSWQOGMBXMYIJN-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234949 819043426 /nfs/dbraw/zinc/04/34/26/819043426.db2.gz AAPUOYOFPDWASE-MSOLQXFVSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234949 819043428 /nfs/dbraw/zinc/04/34/28/819043428.db2.gz AAPUOYOFPDWASE-MSOLQXFVSA-N 2 2 266.388 3.084 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235257518 819053908 /nfs/dbraw/zinc/05/39/08/819053908.db2.gz IJQTYVWAFAUPLK-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2ccccc2)sc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235257518 819053913 /nfs/dbraw/zinc/05/39/13/819053913.db2.gz IJQTYVWAFAUPLK-ZBFHGGJFSA-N 2 2 284.428 3.209 20 0 CGADLP C[N@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235343473 819073137 /nfs/dbraw/zinc/07/31/37/819073137.db2.gz WFWOVHXJFDQAAX-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001235343473 819073143 /nfs/dbraw/zinc/07/31/43/819073143.db2.gz WFWOVHXJFDQAAX-CQSZACIVSA-N 2 2 272.367 3.163 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235405844 819087415 /nfs/dbraw/zinc/08/74/15/819087415.db2.gz PECNBGCMHPZHTR-ZBFHGGJFSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1Cl ZINC001235405844 819087418 /nfs/dbraw/zinc/08/74/18/819087418.db2.gz PECNBGCMHPZHTR-ZBFHGGJFSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1C ZINC001235714137 819148344 /nfs/dbraw/zinc/14/83/44/819148344.db2.gz SHIOALXBADOCRW-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1C ZINC001235714137 819148346 /nfs/dbraw/zinc/14/83/46/819148346.db2.gz SHIOALXBADOCRW-UHFFFAOYSA-N 2 2 278.827 3.142 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CO1 ZINC001235716129 819149903 /nfs/dbraw/zinc/14/99/03/819149903.db2.gz ZOFZPCMXDFWGEL-JKSUJKDBSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)CO1 ZINC001235716129 819149906 /nfs/dbraw/zinc/14/99/06/819149906.db2.gz ZOFZPCMXDFWGEL-JKSUJKDBSA-N 2 2 292.398 3.077 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001235829140 819178377 /nfs/dbraw/zinc/17/83/77/819178377.db2.gz NESDPSNKCYHJGN-GOEBONIOSA-N 2 2 268.404 3.237 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)c2cccc3ccccc32)C1 ZINC001235829140 819178380 /nfs/dbraw/zinc/17/83/80/819178380.db2.gz NESDPSNKCYHJGN-GOEBONIOSA-N 2 2 268.404 3.237 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001235831783 819178921 /nfs/dbraw/zinc/17/89/21/819178921.db2.gz MIKRRVUEEZFCND-MRXNPFEDSA-N 2 2 260.425 3.022 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001235831783 819178923 /nfs/dbraw/zinc/17/89/23/819178923.db2.gz MIKRRVUEEZFCND-MRXNPFEDSA-N 2 2 260.425 3.022 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891252 819200729 /nfs/dbraw/zinc/20/07/29/819200729.db2.gz HKXHANZSNWJJON-JKSUJKDBSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891252 819200734 /nfs/dbraw/zinc/20/07/34/819200734.db2.gz HKXHANZSNWJJON-JKSUJKDBSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2s1 ZINC001235894015 819203878 /nfs/dbraw/zinc/20/38/78/819203878.db2.gz ZCMIYDVMQHWAIU-DGCLKSJQSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cc2ccccc2s1 ZINC001235894015 819203882 /nfs/dbraw/zinc/20/38/82/819203882.db2.gz ZCMIYDVMQHWAIU-DGCLKSJQSA-N 2 2 260.406 3.213 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235899918 819209398 /nfs/dbraw/zinc/20/93/98/819209398.db2.gz BLPADCJDOHXRHR-SMDDNHRTSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235899918 819209402 /nfs/dbraw/zinc/20/94/02/819209402.db2.gz BLPADCJDOHXRHR-SMDDNHRTSA-N 2 2 286.341 3.325 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1C(C)C ZINC001235901820 819212374 /nfs/dbraw/zinc/21/23/74/819212374.db2.gz DZJFLIXCYQGDDD-ZBFHGGJFSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1C(C)C ZINC001235901820 819212379 /nfs/dbraw/zinc/21/23/79/819212379.db2.gz DZJFLIXCYQGDDD-ZBFHGGJFSA-N 2 2 290.451 3.439 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929134 819227243 /nfs/dbraw/zinc/22/72/43/819227243.db2.gz ITDMYUBWXCKJME-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929134 819227249 /nfs/dbraw/zinc/22/72/49/819227249.db2.gz ITDMYUBWXCKJME-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP CCc1cc(C[N@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947744 819236889 /nfs/dbraw/zinc/23/68/89/819236889.db2.gz PQDJZWSTOYKACP-UHFFFAOYSA-N 2 2 254.805 3.072 20 0 CGADLP CCc1cc(C[N@@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947744 819236898 /nfs/dbraw/zinc/23/68/98/819236898.db2.gz PQDJZWSTOYKACP-UHFFFAOYSA-N 2 2 254.805 3.072 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950616 819241316 /nfs/dbraw/zinc/24/13/16/819241316.db2.gz IPDJJGQZVFVFCM-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950616 819241322 /nfs/dbraw/zinc/24/13/22/819241322.db2.gz IPDJJGQZVFVFCM-ZDUSSCGKSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001235956215 819244030 /nfs/dbraw/zinc/24/40/30/819244030.db2.gz ATWRNGAJUVDDIO-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001235956215 819244035 /nfs/dbraw/zinc/24/40/35/819244035.db2.gz ATWRNGAJUVDDIO-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001235959389 819248153 /nfs/dbraw/zinc/24/81/53/819248153.db2.gz PFQVKCXBRNBXGJ-QHBPRCKVSA-N 2 2 299.245 3.205 20 0 CGADLP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001235959389 819248158 /nfs/dbraw/zinc/24/81/58/819248158.db2.gz PFQVKCXBRNBXGJ-QHBPRCKVSA-N 2 2 299.245 3.205 20 0 CGADLP c1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)nc1 ZINC001235964073 819252258 /nfs/dbraw/zinc/25/22/58/819252258.db2.gz YOVCHGAKTXUNND-KRWDZBQOSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc(C[N@H+](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)nc1 ZINC001235964073 819252263 /nfs/dbraw/zinc/25/22/63/819252263.db2.gz YOVCHGAKTXUNND-KRWDZBQOSA-N 2 2 287.451 3.358 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982524 819259197 /nfs/dbraw/zinc/25/91/97/819259197.db2.gz VWBGXXVXWHEQJU-VQIMIIECSA-N 2 2 294.398 3.402 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(Oc3ccccc3)cc1)C2 ZINC001235982524 819259199 /nfs/dbraw/zinc/25/91/99/819259199.db2.gz VWBGXXVXWHEQJU-VQIMIIECSA-N 2 2 294.398 3.402 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)o1 ZINC001235988313 819260553 /nfs/dbraw/zinc/26/05/53/819260553.db2.gz GQQNBIYYUKGRSC-AEFFLSMTSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)o1 ZINC001235988313 819260554 /nfs/dbraw/zinc/26/05/54/819260554.db2.gz GQQNBIYYUKGRSC-AEFFLSMTSA-N 2 2 282.387 3.178 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235994894 819264316 /nfs/dbraw/zinc/26/43/16/819264316.db2.gz VMQQWAMMXIVGOW-FUHWJXTLSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235994894 819264318 /nfs/dbraw/zinc/26/43/18/819264318.db2.gz VMQQWAMMXIVGOW-FUHWJXTLSA-N 2 2 272.436 3.297 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2C)[C@H]1CCC[NH2+]C1 ZINC001236004540 819270998 /nfs/dbraw/zinc/27/09/98/819270998.db2.gz DVSKNKZEGIJNDZ-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2C)[C@H]1CCC[NH2+]C1 ZINC001236004540 819271003 /nfs/dbraw/zinc/27/10/03/819271003.db2.gz DVSKNKZEGIJNDZ-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001236015763 819275134 /nfs/dbraw/zinc/27/51/34/819275134.db2.gz BENQIGDBFOUFIX-SJLPKXTDSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001236015763 819275139 /nfs/dbraw/zinc/27/51/39/819275139.db2.gz BENQIGDBFOUFIX-SJLPKXTDSA-N 2 2 282.362 3.026 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)o1 ZINC001236047174 819284821 /nfs/dbraw/zinc/28/48/21/819284821.db2.gz LDODFLRLNHMMJL-DYVFJYSZSA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2)o1 ZINC001236047174 819284825 /nfs/dbraw/zinc/28/48/25/819284825.db2.gz LDODFLRLNHMMJL-DYVFJYSZSA-N 2 2 284.403 3.424 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(OC(C)(C)C)c2)CCC[NH2+]1 ZINC001236100666 819317338 /nfs/dbraw/zinc/31/73/38/819317338.db2.gz MCVHECAUMUWETH-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(OC(C)(C)C)c2)CCC[NH2+]1 ZINC001236100666 819317345 /nfs/dbraw/zinc/31/73/45/819317345.db2.gz MCVHECAUMUWETH-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC[NH2+]1 ZINC001236101590 819319253 /nfs/dbraw/zinc/31/92/53/819319253.db2.gz WZHGPSRNBSXJAW-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CCC[NH2+]1 ZINC001236101590 819319259 /nfs/dbraw/zinc/31/92/59/819319259.db2.gz WZHGPSRNBSXJAW-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236203121 819365585 /nfs/dbraw/zinc/36/55/85/819365585.db2.gz VJGJHEQJIFFKPO-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236203121 819365588 /nfs/dbraw/zinc/36/55/88/819365588.db2.gz VJGJHEQJIFFKPO-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1coc2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236206392 819369020 /nfs/dbraw/zinc/36/90/20/819369020.db2.gz KLQSEIVQRGOFPZ-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1coc2ccccc12)[C@]1(C)CCC[NH2+]C1 ZINC001236206392 819369025 /nfs/dbraw/zinc/36/90/25/819369025.db2.gz KLQSEIVQRGOFPZ-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP COc1ccc2oc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236215751 819380347 /nfs/dbraw/zinc/38/03/47/819380347.db2.gz XRVCACDTENYMER-JKSUJKDBSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236215751 819380353 /nfs/dbraw/zinc/38/03/53/819380353.db2.gz XRVCACDTENYMER-JKSUJKDBSA-N 2 2 288.391 3.143 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(F)c1 ZINC001236228571 819392122 /nfs/dbraw/zinc/39/21/22/819392122.db2.gz WKNYWWBKCPZNRM-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(F)c1 ZINC001236228571 819392130 /nfs/dbraw/zinc/39/21/30/819392130.db2.gz WKNYWWBKCPZNRM-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP Cc1cccc(C)c1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238274 819398404 /nfs/dbraw/zinc/39/84/04/819398404.db2.gz BHUPGRWJOAXIGG-INIZCTEOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cccc(C)c1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236238274 819398410 /nfs/dbraw/zinc/39/84/10/819398410.db2.gz BHUPGRWJOAXIGG-INIZCTEOSA-N 2 2 258.409 3.020 20 0 CGADLP Fc1cccc(C[N@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236396676 819450076 /nfs/dbraw/zinc/45/00/76/819450076.db2.gz ZEZJSBIIIUOARY-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1cccc(C[N@@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236396676 819450080 /nfs/dbraw/zinc/45/00/80/819450080.db2.gz ZEZJSBIIIUOARY-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001236420917 819467039 /nfs/dbraw/zinc/46/70/39/819467039.db2.gz RCBWQWXUBTZLOB-NVXWUHKLSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001236420917 819467041 /nfs/dbraw/zinc/46/70/41/819467041.db2.gz RCBWQWXUBTZLOB-NVXWUHKLSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC001236422478 819469540 /nfs/dbraw/zinc/46/95/40/819469540.db2.gz WTWUSVCKEKAEDH-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cc2ccccc2s1 ZINC001236422478 819469543 /nfs/dbraw/zinc/46/95/43/819469543.db2.gz WTWUSVCKEKAEDH-RISCZKNCSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421886 819469738 /nfs/dbraw/zinc/46/97/38/819469738.db2.gz WVAIPYDAXKOBGP-BLLLJJGKSA-N 2 2 287.382 3.132 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421886 819469743 /nfs/dbraw/zinc/46/97/43/819469743.db2.gz WVAIPYDAXKOBGP-BLLLJJGKSA-N 2 2 287.382 3.132 20 0 CGADLP Cc1csc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468835 819490022 /nfs/dbraw/zinc/49/00/22/819490022.db2.gz NCABWSBHYXNAAN-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1csc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468835 819490025 /nfs/dbraw/zinc/49/00/25/819490025.db2.gz NCABWSBHYXNAAN-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP CCC(CC)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236486593 819499679 /nfs/dbraw/zinc/49/96/79/819499679.db2.gz GRBVAHLJBKLHNR-KRWDZBQOSA-N 2 2 275.440 3.072 20 0 CGADLP CCC(CC)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001236486593 819499682 /nfs/dbraw/zinc/49/96/82/819499682.db2.gz GRBVAHLJBKLHNR-KRWDZBQOSA-N 2 2 275.440 3.072 20 0 CGADLP Fc1cccc(F)c1C[N@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236510928 819507723 /nfs/dbraw/zinc/50/77/23/819507723.db2.gz FSQWVGVNQIDFEK-UHFFFAOYSA-N 2 2 294.389 3.319 20 0 CGADLP Fc1cccc(F)c1C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 ZINC001236510928 819507726 /nfs/dbraw/zinc/50/77/26/819507726.db2.gz FSQWVGVNQIDFEK-UHFFFAOYSA-N 2 2 294.389 3.319 20 0 CGADLP Cc1cc(C)c(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cn1 ZINC001236653101 819563126 /nfs/dbraw/zinc/56/31/26/819563126.db2.gz IWTWNTHYBCERIF-GOSISDBHSA-N 2 2 287.451 3.195 20 0 CGADLP Cc1cc(C)c(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cn1 ZINC001236653101 819563131 /nfs/dbraw/zinc/56/31/31/819563131.db2.gz IWTWNTHYBCERIF-GOSISDBHSA-N 2 2 287.451 3.195 20 0 CGADLP CCC[N@@H+](Cc1ccsc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842954 819619014 /nfs/dbraw/zinc/61/90/14/819619014.db2.gz IIPIMKFQXMLFLK-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CCC[N@H+](Cc1ccsc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842954 819619016 /nfs/dbraw/zinc/61/90/16/819619016.db2.gz IIPIMKFQXMLFLK-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1C ZINC001236867787 819625974 /nfs/dbraw/zinc/62/59/74/819625974.db2.gz AQVPNJRSNHRTDR-LBPRGKRZSA-N 2 2 290.329 3.063 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1C ZINC001236867787 819625978 /nfs/dbraw/zinc/62/59/78/819625978.db2.gz AQVPNJRSNHRTDR-LBPRGKRZSA-N 2 2 290.329 3.063 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(Br)c(C)c1 ZINC001236868697 819627561 /nfs/dbraw/zinc/62/75/61/819627561.db2.gz GJLZVYAZRMMURL-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(Br)c(C)c1 ZINC001236868697 819627565 /nfs/dbraw/zinc/62/75/65/819627565.db2.gz GJLZVYAZRMMURL-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP CCCCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236869639 819628131 /nfs/dbraw/zinc/62/81/31/819628131.db2.gz WTWAVFIHHYNSQP-LBPRGKRZSA-N 2 2 254.443 3.260 20 0 CGADLP CCCCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236869639 819628137 /nfs/dbraw/zinc/62/81/37/819628137.db2.gz WTWAVFIHHYNSQP-LBPRGKRZSA-N 2 2 254.443 3.260 20 0 CGADLP CC(C)c1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236909507 819636623 /nfs/dbraw/zinc/63/66/23/819636623.db2.gz RQYWGKPYTKJDBI-NSHDSACASA-N 2 2 254.805 3.242 20 0 CGADLP CC(C)c1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236909507 819636626 /nfs/dbraw/zinc/63/66/26/819636626.db2.gz RQYWGKPYTKJDBI-NSHDSACASA-N 2 2 254.805 3.242 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236908232 819637102 /nfs/dbraw/zinc/63/71/02/819637102.db2.gz QVBXJYBTLLFCBW-LBPRGKRZSA-N 2 2 275.783 3.368 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236908232 819637106 /nfs/dbraw/zinc/63/71/06/819637106.db2.gz QVBXJYBTLLFCBW-LBPRGKRZSA-N 2 2 275.783 3.368 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106782 819668708 /nfs/dbraw/zinc/66/87/08/819668708.db2.gz JGWPQBXFNPWNSH-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106782 819668713 /nfs/dbraw/zinc/66/87/13/819668713.db2.gz JGWPQBXFNPWNSH-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106782 819668716 /nfs/dbraw/zinc/66/87/16/819668716.db2.gz JGWPQBXFNPWNSH-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106782 819668719 /nfs/dbraw/zinc/66/87/19/819668719.db2.gz JGWPQBXFNPWNSH-RBUKOAKNSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106784 819669149 /nfs/dbraw/zinc/66/91/49/819669149.db2.gz JGWPQBXFNPWNSH-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106784 819669153 /nfs/dbraw/zinc/66/91/53/819669153.db2.gz JGWPQBXFNPWNSH-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106784 819669157 /nfs/dbraw/zinc/66/91/57/819669157.db2.gz JGWPQBXFNPWNSH-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@H]21 ZINC001237106784 819669160 /nfs/dbraw/zinc/66/91/60/819669160.db2.gz JGWPQBXFNPWNSH-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP c1ccc2c(c1)ccnc2C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237158449 819684413 /nfs/dbraw/zinc/68/44/13/819684413.db2.gz YJALLNNAEGGDHY-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)ccnc2C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237158449 819684416 /nfs/dbraw/zinc/68/44/16/819684416.db2.gz YJALLNNAEGGDHY-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP Fc1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(Cl)c1 ZINC001237384005 819737977 /nfs/dbraw/zinc/73/79/77/819737977.db2.gz TYADQLRKEVSRIQ-CJNGLKHVSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(Cl)c1 ZINC001237384005 819737982 /nfs/dbraw/zinc/73/79/82/819737982.db2.gz TYADQLRKEVSRIQ-CJNGLKHVSA-N 2 2 296.817 3.096 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238107706 819936482 /nfs/dbraw/zinc/93/64/82/819936482.db2.gz QNUJEZIYLLWSFG-UHFFFAOYSA-N 2 2 279.334 3.202 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3c[nH+]cn32)CCC1(F)F ZINC001238107706 819936485 /nfs/dbraw/zinc/93/64/85/819936485.db2.gz QNUJEZIYLLWSFG-UHFFFAOYSA-N 2 2 279.334 3.202 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)Cc1cccc2c[nH+]cn21 ZINC001238119983 819937875 /nfs/dbraw/zinc/93/78/75/819937875.db2.gz RPEJXNYKCXLGQE-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP CC[N@H+](Cc1ccccc1F)Cc1cccc2c[nH+]cn21 ZINC001238119983 819937883 /nfs/dbraw/zinc/93/78/83/819937883.db2.gz RPEJXNYKCXLGQE-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP Cc1ccc(Cl)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001238568824 820049947 /nfs/dbraw/zinc/04/99/47/820049947.db2.gz JLZKVQKWYNUGPD-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001238568824 820049956 /nfs/dbraw/zinc/04/99/56/820049956.db2.gz JLZKVQKWYNUGPD-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001238568824 820049966 /nfs/dbraw/zinc/04/99/66/820049966.db2.gz JLZKVQKWYNUGPD-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001238568824 820049969 /nfs/dbraw/zinc/04/99/69/820049969.db2.gz JLZKVQKWYNUGPD-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239503405 820351708 /nfs/dbraw/zinc/35/17/08/820351708.db2.gz ZBNKXCONWJQTLQ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239503405 820351715 /nfs/dbraw/zinc/35/17/15/820351715.db2.gz ZBNKXCONWJQTLQ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2/C=C/c2ccccc2)C1 ZINC001239593665 820442007 /nfs/dbraw/zinc/44/20/07/820442007.db2.gz NQFVHAJTVLAOPW-VYENPZKTSA-N 2 2 278.399 3.390 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2/C=C/c2ccccc2)C1 ZINC001239593665 820442010 /nfs/dbraw/zinc/44/20/10/820442010.db2.gz NQFVHAJTVLAOPW-VYENPZKTSA-N 2 2 278.399 3.390 20 0 CGADLP Cc1cc(-c2ccc(C[NH+]3CCCC3)cc2)c[nH+]c1N ZINC001240059736 820806741 /nfs/dbraw/zinc/80/67/41/820806741.db2.gz WCXMVDCOTJRKDG-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP c1cn2cc(-c3ccc([C@@H]4CC[NH2+]C4)cc3)ccc2[nH+]1 ZINC001240222056 820898310 /nfs/dbraw/zinc/89/83/10/820898310.db2.gz VYYLYIHQRIUUIL-OAHLLOKOSA-N 2 2 263.344 3.078 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc4cc[nH]c4c3)c2)C1 ZINC001240797855 821341609 /nfs/dbraw/zinc/34/16/09/821341609.db2.gz NTTSLZBBECPXOK-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc4cc[nH]c4c3)c2)C1 ZINC001240797855 821341617 /nfs/dbraw/zinc/34/16/17/821341617.db2.gz NTTSLZBBECPXOK-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1C ZINC001241036906 821512949 /nfs/dbraw/zinc/51/29/49/821512949.db2.gz QSMRVVFCYAVSQT-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1C ZINC001241036906 821512954 /nfs/dbraw/zinc/51/29/54/821512954.db2.gz QSMRVVFCYAVSQT-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccc(OCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001242149479 822894778 /nfs/dbraw/zinc/89/47/78/822894778.db2.gz QUKGNYMLQBEQFC-UHFFFAOYSA-N 2 2 270.376 3.306 20 0 CGADLP CC(C)[C@@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC001459830236 937502212 /nfs/dbraw/zinc/50/22/12/937502212.db2.gz IFWFVODBFCYJCB-INIZCTEOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)[C@@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC001459830236 937502214 /nfs/dbraw/zinc/50/22/14/937502214.db2.gz IFWFVODBFCYJCB-INIZCTEOSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@]1(Cc2ccccc2)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001460411651 937531138 /nfs/dbraw/zinc/53/11/38/937531138.db2.gz RWXMGBWDRFOLES-LJQANCHMSA-N 2 2 297.446 3.450 20 0 CGADLP CC[C@]1(Cc2ccccc2)CCC[N@H+]1CCc1c[nH+]cn1C ZINC001460411651 937531140 /nfs/dbraw/zinc/53/11/40/937531140.db2.gz RWXMGBWDRFOLES-LJQANCHMSA-N 2 2 297.446 3.450 20 0 CGADLP Cc1cnccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001460697680 937541327 /nfs/dbraw/zinc/54/13/27/937541327.db2.gz WEYOARDCWHZWNP-GOSISDBHSA-N 2 2 292.386 3.118 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001461044947 937561297 /nfs/dbraw/zinc/56/12/97/937561297.db2.gz MXWQZGRQGKTVDA-INIZCTEOSA-N 2 2 286.463 3.256 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001461044947 937561299 /nfs/dbraw/zinc/56/12/99/937561299.db2.gz MXWQZGRQGKTVDA-INIZCTEOSA-N 2 2 286.463 3.256 20 0 CGADLP Cc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1Br ZINC001461661641 937590963 /nfs/dbraw/zinc/59/09/63/937590963.db2.gz GWSMIOWCOUUOQA-LBPRGKRZSA-N 2 2 299.256 3.187 20 0 CGADLP CCc1cc(NCC[C@H](C)[NH+]2CCCCC2)nc(CC)[nH+]1 ZINC001307091779 932912506 /nfs/dbraw/zinc/91/25/06/932912506.db2.gz GLAMBARYZPWLMQ-AWEZNQCLSA-N 2 2 290.455 3.278 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001308224190 933075028 /nfs/dbraw/zinc/07/50/28/933075028.db2.gz PTMMGLUDLFAXTA-DZGCQCFKSA-N 2 2 255.365 3.151 20 0 CGADLP CC(C)CCOCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308232427 933077267 /nfs/dbraw/zinc/07/72/67/933077267.db2.gz SNHLSZBVYUOMJX-UHFFFAOYSA-N 2 2 293.436 3.086 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1CCC2 ZINC001308450961 933112263 /nfs/dbraw/zinc/11/22/63/933112263.db2.gz LUQWQKGAVTWPLK-MOPGFXCFSA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1CCC2 ZINC001308450961 933112269 /nfs/dbraw/zinc/11/22/69/933112269.db2.gz LUQWQKGAVTWPLK-MOPGFXCFSA-N 2 2 284.447 3.282 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001308456766 933113439 /nfs/dbraw/zinc/11/34/39/933113439.db2.gz JBJCBZRIDNSHOV-UHFFFAOYSA-N 2 2 284.831 3.113 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001308456766 933113441 /nfs/dbraw/zinc/11/34/41/933113441.db2.gz JBJCBZRIDNSHOV-UHFFFAOYSA-N 2 2 284.831 3.113 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC001308789100 933176061 /nfs/dbraw/zinc/17/60/61/933176061.db2.gz RESWVIAQTXBLGJ-BXOXOBTFSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC001308789100 933176065 /nfs/dbraw/zinc/17/60/65/933176065.db2.gz RESWVIAQTXBLGJ-BXOXOBTFSA-N 2 2 284.447 3.453 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308841266 933188157 /nfs/dbraw/zinc/18/81/57/933188157.db2.gz VPFWSBKOXBEMAD-BHIYHBOVSA-N 2 2 284.447 3.323 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308841266 933188160 /nfs/dbraw/zinc/18/81/60/933188160.db2.gz VPFWSBKOXBEMAD-BHIYHBOVSA-N 2 2 284.447 3.323 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001308859131 933191862 /nfs/dbraw/zinc/19/18/62/933191862.db2.gz YJIFYMPMNSUBCP-BZUAXINKSA-N 2 2 296.499 3.433 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001308859131 933191865 /nfs/dbraw/zinc/19/18/65/933191865.db2.gz YJIFYMPMNSUBCP-BZUAXINKSA-N 2 2 296.499 3.433 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864201 933192562 /nfs/dbraw/zinc/19/25/62/933192562.db2.gz LZODYRRTQBBDJP-NBMRYCAZSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864201 933192565 /nfs/dbraw/zinc/19/25/65/933192565.db2.gz LZODYRRTQBBDJP-NBMRYCAZSA-N 2 2 276.468 3.418 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001308961056 933215003 /nfs/dbraw/zinc/21/50/03/933215003.db2.gz PTAILIAFTOHHSA-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001308961056 933215004 /nfs/dbraw/zinc/21/50/04/933215004.db2.gz PTAILIAFTOHHSA-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001308961056 933215009 /nfs/dbraw/zinc/21/50/09/933215009.db2.gz PTAILIAFTOHHSA-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001308961056 933215014 /nfs/dbraw/zinc/21/50/14/933215014.db2.gz PTAILIAFTOHHSA-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308973968 933217574 /nfs/dbraw/zinc/21/75/74/933217574.db2.gz BPHARRYBQBFSNF-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308973968 933217579 /nfs/dbraw/zinc/21/75/79/933217579.db2.gz BPHARRYBQBFSNF-AWEZNQCLSA-N 2 2 278.415 3.078 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC001308975486 933219080 /nfs/dbraw/zinc/21/90/80/933219080.db2.gz UUFPNUUNIAZIJB-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC001308975486 933219086 /nfs/dbraw/zinc/21/90/86/933219086.db2.gz UUFPNUUNIAZIJB-JKSUJKDBSA-N 2 2 264.457 3.277 20 0 CGADLP Cc1scc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1C ZINC001308982969 933221436 /nfs/dbraw/zinc/22/14/36/933221436.db2.gz IKNJFJWRLIABRB-UHFFFAOYSA-N 2 2 289.448 3.478 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001324158425 934467502 /nfs/dbraw/zinc/46/75/02/934467502.db2.gz LWVHTRMYKMUVBX-DGCLKSJQSA-N 2 2 289.810 3.141 20 0 CGADLP CCCC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC001324346038 934490649 /nfs/dbraw/zinc/49/06/49/934490649.db2.gz RHVCVMIEIDAKKQ-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC001325134703 934888482 /nfs/dbraw/zinc/88/84/82/934888482.db2.gz XLQMWHDUIHZNDE-QBPKDAKJSA-N 2 2 294.483 3.043 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC001325134703 934888487 /nfs/dbraw/zinc/88/84/87/934888487.db2.gz XLQMWHDUIHZNDE-QBPKDAKJSA-N 2 2 294.483 3.043 20 0 CGADLP c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(C2CC2)c1 ZINC001330529797 935293701 /nfs/dbraw/zinc/29/37/01/935293701.db2.gz VFXHPKMYATYXPE-UHFFFAOYSA-N 2 2 292.386 3.299 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC001330545342 935295023 /nfs/dbraw/zinc/29/50/23/935295023.db2.gz SYZLFCCRGNWAJQ-ZDUSSCGKSA-N 2 2 293.282 3.377 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2cncc3ccccc32)[nH+]c1 ZINC001474035353 937836975 /nfs/dbraw/zinc/83/69/75/937836975.db2.gz SQXSUBUVLIPACC-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651316 937873150 /nfs/dbraw/zinc/87/31/50/937873150.db2.gz LBYDHTPSLQLROL-KXBFYZLASA-N 2 2 286.463 3.180 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651316 937873151 /nfs/dbraw/zinc/87/31/51/937873151.db2.gz LBYDHTPSLQLROL-KXBFYZLASA-N 2 2 286.463 3.180 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001474671523 937874213 /nfs/dbraw/zinc/87/42/13/937874213.db2.gz XTUHRWICOGYBSH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001474671523 937874214 /nfs/dbraw/zinc/87/42/14/937874214.db2.gz XTUHRWICOGYBSH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001474671523 937874215 /nfs/dbraw/zinc/87/42/15/937874215.db2.gz XTUHRWICOGYBSH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001474671523 937874216 /nfs/dbraw/zinc/87/42/16/937874216.db2.gz XTUHRWICOGYBSH-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP COc1cc(C)ccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001474754496 937879395 /nfs/dbraw/zinc/87/93/95/937879395.db2.gz AYCUWHVFHFEXLZ-UHFFFAOYSA-N 2 2 299.418 3.117 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001548851809 938152720 /nfs/dbraw/zinc/15/27/20/938152720.db2.gz HRYMDLOXTWBTBN-KGLIPLIRSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001548851809 938152721 /nfs/dbraw/zinc/15/27/21/938152721.db2.gz HRYMDLOXTWBTBN-KGLIPLIRSA-N 2 2 297.393 3.425 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560266080 938250137 /nfs/dbraw/zinc/25/01/37/938250137.db2.gz OXAMXPCQWANMJI-VQIMIIECSA-N 2 2 286.463 3.256 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560266080 938250138 /nfs/dbraw/zinc/25/01/38/938250138.db2.gz OXAMXPCQWANMJI-VQIMIIECSA-N 2 2 286.463 3.256 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001560518853 938261245 /nfs/dbraw/zinc/26/12/45/938261245.db2.gz KPSIJPUBDLKCDN-QZTJIDSGSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001560518853 938261247 /nfs/dbraw/zinc/26/12/47/938261247.db2.gz KPSIJPUBDLKCDN-QZTJIDSGSA-N 2 2 272.436 3.356 20 0 CGADLP F[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001560551993 938262490 /nfs/dbraw/zinc/26/24/90/938262490.db2.gz PDJYWLUOMQASQP-JKSUJKDBSA-N 2 2 273.355 3.243 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CC(Cc2ccccc2)C1 ZINC001575131428 962356174 /nfs/dbraw/zinc/35/61/74/962356174.db2.gz UUPVKDUOCLTNNY-KRWDZBQOSA-N 2 2 274.452 3.315 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCCCC1 ZINC001576249830 962450486 /nfs/dbraw/zinc/45/04/86/962450486.db2.gz AVXKCWKTXQXELT-JCURWCKSSA-N 2 2 258.409 3.170 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[NH2+]1 ZINC001576670370 962481982 /nfs/dbraw/zinc/48/19/82/962481982.db2.gz HDDDNUMVSZCNDH-ZHSDAYTOSA-N 2 2 282.790 3.065 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC23CCC3)[nH+]1 ZINC000337415948 214066933 /nfs/dbraw/zinc/06/69/33/214066933.db2.gz YZYBICCRMBKSOO-QGZVFWFLSA-N 2 2 295.430 3.396 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000621340917 349501310 /nfs/dbraw/zinc/50/13/10/349501310.db2.gz WCNOATUOLUBPFL-WBMJQRKESA-N 2 2 278.465 3.273 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000621340917 349501311 /nfs/dbraw/zinc/50/13/11/349501311.db2.gz WCNOATUOLUBPFL-WBMJQRKESA-N 2 2 278.465 3.273 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000651225505 398218435 /nfs/dbraw/zinc/21/84/35/398218435.db2.gz DPUINYHOUVIUOC-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000651225505 398218438 /nfs/dbraw/zinc/21/84/38/398218438.db2.gz DPUINYHOUVIUOC-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000337538860 214146213 /nfs/dbraw/zinc/14/62/13/214146213.db2.gz HQAPKTGVZWWGFX-GFCCVEGCSA-N 2 2 298.377 3.075 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781977 349585280 /nfs/dbraw/zinc/58/52/80/349585280.db2.gz KRVYTIGOVJEUAI-XUJVJEKNSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781977 349585282 /nfs/dbraw/zinc/58/52/82/349585282.db2.gz KRVYTIGOVJEUAI-XUJVJEKNSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781597 349585477 /nfs/dbraw/zinc/58/54/77/349585477.db2.gz GTDNNEAHROKQMZ-IUIKQTSFSA-N 2 2 280.362 3.229 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781597 349585480 /nfs/dbraw/zinc/58/54/80/349585480.db2.gz GTDNNEAHROKQMZ-IUIKQTSFSA-N 2 2 280.362 3.229 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)c2sccc21 ZINC000453081944 290637577 /nfs/dbraw/zinc/63/75/77/290637577.db2.gz KLSATRKKRBXOQJ-JSGCOSHPSA-N 2 2 264.438 3.372 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(F)c1F ZINC000651865640 398299016 /nfs/dbraw/zinc/29/90/16/398299016.db2.gz BNAZNDOCHUWDKD-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1F ZINC000651865640 398299018 /nfs/dbraw/zinc/29/90/18/398299018.db2.gz BNAZNDOCHUWDKD-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1cncs1)C1CCCCC1 ZINC000651910004 398304581 /nfs/dbraw/zinc/30/45/81/398304581.db2.gz DGHWGACKAHJXGL-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1cncs1)C1CCCCC1 ZINC000651910004 398304583 /nfs/dbraw/zinc/30/45/83/398304583.db2.gz DGHWGACKAHJXGL-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCO1 ZINC000449166103 529447051 /nfs/dbraw/zinc/44/70/51/529447051.db2.gz BUGUSOCADCITTR-CRAIPNDOSA-N 2 2 299.418 3.228 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1Br ZINC000423484250 529453085 /nfs/dbraw/zinc/45/30/85/529453085.db2.gz YMLBWHXPXUZXSZ-GWCFXTLKSA-N 2 2 285.229 3.227 20 0 CGADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cn1 ZINC000359055730 529583175 /nfs/dbraw/zinc/58/31/75/529583175.db2.gz NWRICJQDHLMVPN-GPANFISMSA-N 2 2 291.414 3.278 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCC12CCC2 ZINC000423502561 529611426 /nfs/dbraw/zinc/61/14/26/529611426.db2.gz MBQPXRHLEIBZAA-HOTGVXAUSA-N 2 2 258.409 3.171 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000423239779 529613355 /nfs/dbraw/zinc/61/33/55/529613355.db2.gz SLTVTQKASDVALO-UWVGGRQHSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423543027 529655653 /nfs/dbraw/zinc/65/56/53/529655653.db2.gz BNSDXNHUAUNDSP-OCCSQVGLSA-N 2 2 298.377 3.471 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)s1 ZINC000423358261 529661822 /nfs/dbraw/zinc/66/18/22/529661822.db2.gz JCUAMVJCVXTVQK-GARJFASQSA-N 2 2 272.845 3.440 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917215 529666374 /nfs/dbraw/zinc/66/63/74/529666374.db2.gz FNZDPOBWNLXIRW-WKPIXPDZSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC)c1 ZINC000359944932 529671742 /nfs/dbraw/zinc/67/17/42/529671742.db2.gz VUCFCCZDQUQPSU-BZSNNMDCSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC)c1 ZINC000359944932 529671743 /nfs/dbraw/zinc/67/17/43/529671743.db2.gz VUCFCCZDQUQPSU-BZSNNMDCSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000427893187 529673187 /nfs/dbraw/zinc/67/31/87/529673187.db2.gz HRIXGTVMRSWIOO-GJZGRUSLSA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000423355210 529673740 /nfs/dbraw/zinc/67/37/40/529673740.db2.gz FAHALWKIOCQJTN-UGFHNGPFSA-N 2 2 266.816 3.379 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411956 349802173 /nfs/dbraw/zinc/80/21/73/349802173.db2.gz ROKQJWYWEHDCPM-HIFRSBDPSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411956 349802175 /nfs/dbraw/zinc/80/21/75/349802175.db2.gz ROKQJWYWEHDCPM-HIFRSBDPSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411957 349801746 /nfs/dbraw/zinc/80/17/46/349801746.db2.gz ROKQJWYWEHDCPM-UKRRQHHQSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411957 349801749 /nfs/dbraw/zinc/80/17/49/349801749.db2.gz ROKQJWYWEHDCPM-UKRRQHHQSA-N 2 2 292.398 3.112 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000364453398 529722229 /nfs/dbraw/zinc/72/22/29/529722229.db2.gz ZYZDMKARVSWDFM-BFHYXJOUSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000364453398 529722231 /nfs/dbraw/zinc/72/22/31/529722231.db2.gz ZYZDMKARVSWDFM-BFHYXJOUSA-N 2 2 262.397 3.119 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)o1 ZINC000423261294 529722268 /nfs/dbraw/zinc/72/22/68/529722268.db2.gz JLQCEOOTSUROAF-SWLSCSKDSA-N 2 2 264.413 3.400 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008022 199297130 /nfs/dbraw/zinc/29/71/30/199297130.db2.gz SNSDTTSHMFPBOQ-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008022 199297132 /nfs/dbraw/zinc/29/71/32/199297132.db2.gz SNSDTTSHMFPBOQ-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008022 199297133 /nfs/dbraw/zinc/29/71/33/199297133.db2.gz SNSDTTSHMFPBOQ-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000295008022 199297135 /nfs/dbraw/zinc/29/71/35/199297135.db2.gz SNSDTTSHMFPBOQ-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP C[C@@H]([NH2+]CCc1cscn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295051937 199320760 /nfs/dbraw/zinc/32/07/60/199320760.db2.gz UPAGDLDNSIQVKR-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)[C@@H]3C[C@H]3C3CC3)cn21 ZINC000623559106 349834310 /nfs/dbraw/zinc/83/43/10/349834310.db2.gz STBTZNKSROFIHD-COXVUDFISA-N 2 2 283.419 3.209 20 0 CGADLP C[NH2+]CC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000423223325 529979158 /nfs/dbraw/zinc/97/91/58/529979158.db2.gz FZDRLORAKPMCIY-GOSISDBHSA-N 2 2 268.404 3.202 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528871 530051881 /nfs/dbraw/zinc/05/18/81/530051881.db2.gz VJNWFZIHYXQKFU-JKSUJKDBSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000368528871 530051882 /nfs/dbraw/zinc/05/18/82/530051882.db2.gz VJNWFZIHYXQKFU-JKSUJKDBSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000040671744 344964955 /nfs/dbraw/zinc/96/49/55/344964955.db2.gz QSACNJJJTYKYMK-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000040671744 344964957 /nfs/dbraw/zinc/96/49/57/344964957.db2.gz QSACNJJJTYKYMK-ABHNRTSZSA-N 2 2 272.436 3.397 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672710 344964965 /nfs/dbraw/zinc/96/49/65/344964965.db2.gz IBKUVSAXKYOLTP-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672710 344964967 /nfs/dbraw/zinc/96/49/67/344964967.db2.gz IBKUVSAXKYOLTP-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000040671647 344965030 /nfs/dbraw/zinc/96/50/30/344965030.db2.gz XAEYRUXRZXHZNF-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000040671647 344965031 /nfs/dbraw/zinc/96/50/31/344965031.db2.gz XAEYRUXRZXHZNF-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707471 345075028 /nfs/dbraw/zinc/07/50/28/345075028.db2.gz RGWVDOVIDBDMQO-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000049707471 345075031 /nfs/dbraw/zinc/07/50/31/345075031.db2.gz RGWVDOVIDBDMQO-GWCFXTLKSA-N 2 2 272.314 3.017 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2F)CC1 ZINC000295102016 199345663 /nfs/dbraw/zinc/34/56/63/199345663.db2.gz KPHCTAADTXZJHY-UHFFFAOYSA-N 2 2 276.399 3.277 20 0 CGADLP c1ccc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]c1 ZINC000063282691 345244727 /nfs/dbraw/zinc/24/47/27/345244727.db2.gz YEXJPCLDGUYBTH-UHFFFAOYSA-N 2 2 259.397 3.148 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1F ZINC000096543582 232181593 /nfs/dbraw/zinc/18/15/93/232181593.db2.gz KHPQJJRBVNKDBZ-NSHDSACASA-N 2 2 270.367 3.203 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131485578 232192793 /nfs/dbraw/zinc/19/27/93/232192793.db2.gz QPCPSIMENPIUGY-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131485578 232192795 /nfs/dbraw/zinc/19/27/95/232192795.db2.gz QPCPSIMENPIUGY-CZUORRHYSA-N 2 2 273.355 3.105 20 0 CGADLP c1csc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000075758107 345522255 /nfs/dbraw/zinc/52/22/55/345522255.db2.gz RHEWYKQETFNABI-UHFFFAOYSA-N 2 2 283.400 3.283 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558593 232218307 /nfs/dbraw/zinc/21/83/07/232218307.db2.gz GVGVXLLPZZBFFR-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc2c(s1)CCCC2 ZINC000154558593 232218308 /nfs/dbraw/zinc/21/83/08/232218308.db2.gz GVGVXLLPZZBFFR-JSGCOSHPSA-N 2 2 278.465 3.372 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+](C)C)c1cc(C)sc1C ZINC000623983967 349935857 /nfs/dbraw/zinc/93/58/57/349935857.db2.gz SHYGUWNQIOJRBW-CQSZACIVSA-N 2 2 254.443 3.357 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081632255 345716134 /nfs/dbraw/zinc/71/61/34/345716134.db2.gz KMXMDOFFKSIJKY-HNNXBMFYSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081632255 345716138 /nfs/dbraw/zinc/71/61/38/345716138.db2.gz KMXMDOFFKSIJKY-HNNXBMFYSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081632255 345716142 /nfs/dbraw/zinc/71/61/42/345716142.db2.gz KMXMDOFFKSIJKY-HNNXBMFYSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081632255 345716144 /nfs/dbraw/zinc/71/61/44/345716144.db2.gz KMXMDOFFKSIJKY-HNNXBMFYSA-N 2 2 294.389 3.129 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000091375377 345812771 /nfs/dbraw/zinc/81/27/71/345812771.db2.gz ZKQPKFILMOYUQO-WMZOPIPTSA-N 2 2 290.451 3.084 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000090847407 345796188 /nfs/dbraw/zinc/79/61/88/345796188.db2.gz PLNMPPWLKNRXNI-QGZVFWFLSA-N 2 2 282.387 3.218 20 0 CGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cn1 ZINC000092750103 345856240 /nfs/dbraw/zinc/85/62/40/345856240.db2.gz CNZLOVIJGZSWOV-WFASDCNBSA-N 2 2 281.419 3.238 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000163385349 232257740 /nfs/dbraw/zinc/25/77/40/232257740.db2.gz YOZUYKOCRIGHJN-ZDUSSCGKSA-N 2 2 280.378 3.429 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]1 ZINC000092072681 345829973 /nfs/dbraw/zinc/82/99/73/345829973.db2.gz WWONCIUQDUBSIK-INIZCTEOSA-N 2 2 295.386 3.065 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]1 ZINC000092072681 345829977 /nfs/dbraw/zinc/82/99/77/345829977.db2.gz WWONCIUQDUBSIK-INIZCTEOSA-N 2 2 295.386 3.065 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)o1 ZINC000093659867 345883931 /nfs/dbraw/zinc/88/39/31/345883931.db2.gz KZWSPMJFLPDFJG-LBPRGKRZSA-N 2 2 270.804 3.239 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)o1 ZINC000093659867 345883938 /nfs/dbraw/zinc/88/39/38/345883938.db2.gz KZWSPMJFLPDFJG-LBPRGKRZSA-N 2 2 270.804 3.239 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)o1 ZINC000093659867 345883944 /nfs/dbraw/zinc/88/39/44/345883944.db2.gz KZWSPMJFLPDFJG-LBPRGKRZSA-N 2 2 270.804 3.239 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)o1 ZINC000093659867 345883948 /nfs/dbraw/zinc/88/39/48/345883948.db2.gz KZWSPMJFLPDFJG-LBPRGKRZSA-N 2 2 270.804 3.239 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000093692683 345884807 /nfs/dbraw/zinc/88/48/07/345884807.db2.gz SGMTVDADMUDGRW-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000093692683 345884809 /nfs/dbraw/zinc/88/48/09/345884809.db2.gz SGMTVDADMUDGRW-GFCCVEGCSA-N 2 2 270.804 3.097 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)=O)cc2)CC1 ZINC000295122918 199356565 /nfs/dbraw/zinc/35/65/65/199356565.db2.gz XBQOGLVGYPPNCL-UHFFFAOYSA-N 2 2 288.435 3.195 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)=O)cc2)CC1 ZINC000295122918 199356566 /nfs/dbraw/zinc/35/65/66/199356566.db2.gz XBQOGLVGYPPNCL-UHFFFAOYSA-N 2 2 288.435 3.195 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000128869286 346044827 /nfs/dbraw/zinc/04/48/27/346044827.db2.gz IRLILEOEVFOYOW-AUZPSNTRSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000128869286 346044831 /nfs/dbraw/zinc/04/48/31/346044831.db2.gz IRLILEOEVFOYOW-AUZPSNTRSA-N 2 2 290.373 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436628 346065096 /nfs/dbraw/zinc/06/50/96/346065096.db2.gz CTNUUTHAGLQDAY-RNCFNFMXSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436628 346065097 /nfs/dbraw/zinc/06/50/97/346065097.db2.gz CTNUUTHAGLQDAY-RNCFNFMXSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051376 346156886 /nfs/dbraw/zinc/15/68/86/346156886.db2.gz GWXNFVLLKXBQNR-BXKDBHETSA-N 2 2 290.304 3.156 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000156051376 346156889 /nfs/dbraw/zinc/15/68/89/346156889.db2.gz GWXNFVLLKXBQNR-BXKDBHETSA-N 2 2 290.304 3.156 20 0 CGADLP CC(C)CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182855277 346256990 /nfs/dbraw/zinc/25/69/90/346256990.db2.gz BIOJEPOGJLNOHR-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1Br ZINC000382469881 346560324 /nfs/dbraw/zinc/56/03/24/346560324.db2.gz ANHJCKUDEYXXBY-LLVKDONJSA-N 2 2 297.240 3.242 20 0 CGADLP FC(F)(F)CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000584713390 346708750 /nfs/dbraw/zinc/70/87/50/346708750.db2.gz YBILLCABAQDYSO-OLZOCXBDSA-N 2 2 278.362 3.326 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000584713390 346708752 /nfs/dbraw/zinc/70/87/52/346708752.db2.gz YBILLCABAQDYSO-OLZOCXBDSA-N 2 2 278.362 3.326 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000339345379 215108635 /nfs/dbraw/zinc/10/86/35/215108635.db2.gz VCAPAGBWZMFFIM-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000339345379 215108638 /nfs/dbraw/zinc/10/86/38/215108638.db2.gz VCAPAGBWZMFFIM-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP COCc1ccccc1/C=C(/C)C[NH2+]CCCn1cc[nH+]c1 ZINC000351996048 219281848 /nfs/dbraw/zinc/28/18/48/219281848.db2.gz SLLQXUQMZWFWQJ-VBKFSLOCSA-N 2 2 299.418 3.113 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000624270335 350015657 /nfs/dbraw/zinc/01/56/57/350015657.db2.gz JLZMSWTYBRFFCD-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000624270335 350015659 /nfs/dbraw/zinc/01/56/59/350015659.db2.gz JLZMSWTYBRFFCD-BBWFWOEESA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2ncccc2c1 ZINC000271311736 191065604 /nfs/dbraw/zinc/06/56/04/191065604.db2.gz XCHDLCGFKVAORQ-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2ncccc2c1 ZINC000271311736 191065608 /nfs/dbraw/zinc/06/56/08/191065608.db2.gz XCHDLCGFKVAORQ-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ncccc2c1 ZINC000271311736 191065609 /nfs/dbraw/zinc/06/56/09/191065609.db2.gz XCHDLCGFKVAORQ-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ncccc2c1 ZINC000271311736 191065613 /nfs/dbraw/zinc/06/56/13/191065613.db2.gz XCHDLCGFKVAORQ-MSOLQXFVSA-N 2 2 295.430 3.293 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000626089433 350258243 /nfs/dbraw/zinc/25/82/43/350258243.db2.gz QOLAADDQBXAJNE-QGZVFWFLSA-N 2 2 296.499 3.245 20 0 CGADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000352113625 219323873 /nfs/dbraw/zinc/32/38/73/219323873.db2.gz LIYGZNQEBRQXTO-DDITZMBXSA-N 2 2 299.418 3.111 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]1 ZINC000628146798 350410310 /nfs/dbraw/zinc/41/03/10/350410310.db2.gz AIANZEAPTHILKU-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH]1 ZINC000628146798 350410311 /nfs/dbraw/zinc/41/03/11/350410311.db2.gz AIANZEAPTHILKU-OAHLLOKOSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCCC4(CC4)CC3)n21 ZINC000628480228 350549910 /nfs/dbraw/zinc/54/99/10/350549910.db2.gz GJXDZDXEHKTFIR-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCCC4(CC4)CC3)n21 ZINC000628480228 350549912 /nfs/dbraw/zinc/54/99/12/350549912.db2.gz GJXDZDXEHKTFIR-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP Oc1ccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000628481301 350550954 /nfs/dbraw/zinc/55/09/54/350550954.db2.gz WUYMBPOUMYCVQY-OAHLLOKOSA-N 2 2 293.370 3.029 20 0 CGADLP Oc1ccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000628481301 350550956 /nfs/dbraw/zinc/55/09/56/350550956.db2.gz WUYMBPOUMYCVQY-OAHLLOKOSA-N 2 2 293.370 3.029 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCCC4(CC4)CC3)n2c1 ZINC000628480400 350551230 /nfs/dbraw/zinc/55/12/30/350551230.db2.gz YFWZRJMRKJXENL-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCCC4(CC4)CC3)n2c1 ZINC000628480400 350551232 /nfs/dbraw/zinc/55/12/32/350551232.db2.gz YFWZRJMRKJXENL-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000629526974 350702028 /nfs/dbraw/zinc/70/20/28/350702028.db2.gz GOTFCVAUMKXIBO-BIGNPOOSSA-N 2 2 270.779 3.270 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000629526194 350702441 /nfs/dbraw/zinc/70/24/41/350702441.db2.gz MWRMHSYRRJOINU-BIGNPOOSSA-N 2 2 270.779 3.270 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535126 350705076 /nfs/dbraw/zinc/70/50/76/350705076.db2.gz BPXOKQGUFLPKPI-KQTLUZQSSA-N 2 2 258.409 3.273 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CCCO2 ZINC000629535838 350705111 /nfs/dbraw/zinc/70/51/11/350705111.db2.gz DQTZDANWLVXFOS-ZMSDIMECSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000629539271 350706729 /nfs/dbraw/zinc/70/67/29/350706729.db2.gz NPWHSDTZVYUIRB-FOGDFJRCSA-N 2 2 270.779 3.270 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629540251 350706882 /nfs/dbraw/zinc/70/68/82/350706882.db2.gz VFEFZBXSWRMGIC-FRRDWIJNSA-N 2 2 298.377 3.388 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000629543278 350708743 /nfs/dbraw/zinc/70/87/43/350708743.db2.gz XWTUDEAEPUHAAJ-DFBGVHRSSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000629544352 350709480 /nfs/dbraw/zinc/70/94/80/350709480.db2.gz KPUTUDOVIAREAE-IAOVAPTHSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000629547779 350710009 /nfs/dbraw/zinc/71/00/09/350710009.db2.gz USAPRQYDCGBTEK-APHBMKBZSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000629584574 350714520 /nfs/dbraw/zinc/71/45/20/350714520.db2.gz SBIKPALBMYIIEH-GASCZTMLSA-N 2 2 298.352 3.137 20 0 CGADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000629584574 350714523 /nfs/dbraw/zinc/71/45/23/350714523.db2.gz SBIKPALBMYIIEH-GASCZTMLSA-N 2 2 298.352 3.137 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C[NH2+]1 ZINC000629393838 350687629 /nfs/dbraw/zinc/68/76/29/350687629.db2.gz CPFUZOPHCFZHLJ-GUYCJALGSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)C[NH2+]1 ZINC000629411078 350689967 /nfs/dbraw/zinc/68/99/67/350689967.db2.gz HOCHWOKZDVCJCY-WCQYABFASA-N 2 2 279.453 3.031 20 0 CGADLP C[C@H]1Cc2ccc(-c3ccc(N4CCCC4)[nH+]c3)cc2C[NH2+]1 ZINC000629708841 350747898 /nfs/dbraw/zinc/74/78/98/350747898.db2.gz BPYWZOKHDKVKNC-AWEZNQCLSA-N 2 2 293.414 3.383 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000629647767 350729522 /nfs/dbraw/zinc/72/95/22/350729522.db2.gz IIATUISSWIPNCY-GOSISDBHSA-N 2 2 283.419 3.303 20 0 CGADLP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629651855 350730157 /nfs/dbraw/zinc/73/01/57/350730157.db2.gz LZCKROYGHDSSIX-ROUUACIJSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CO2 ZINC000629651855 350730162 /nfs/dbraw/zinc/73/01/62/350730162.db2.gz LZCKROYGHDSSIX-ROUUACIJSA-N 2 2 298.430 3.069 20 0 CGADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000629653810 350731236 /nfs/dbraw/zinc/73/12/36/350731236.db2.gz GORNCCXMKGLIPE-ARFHVFGLSA-N 2 2 259.397 3.061 20 0 CGADLP CC(C)c1[nH+]cc(-c2cccc(C[NH+](C)C)c2)n1C ZINC000630050781 350801095 /nfs/dbraw/zinc/80/10/95/350801095.db2.gz JNGVIJSZGPQTTM-UHFFFAOYSA-N 2 2 257.381 3.272 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631135964 350965649 /nfs/dbraw/zinc/96/56/49/350965649.db2.gz PYYIKXVJNSWVEL-HNNXBMFYSA-N 2 2 283.419 3.403 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631135964 350965650 /nfs/dbraw/zinc/96/56/50/350965650.db2.gz PYYIKXVJNSWVEL-HNNXBMFYSA-N 2 2 283.419 3.403 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1cc(C)no1)C1CCCCC1 ZINC000631167703 350976843 /nfs/dbraw/zinc/97/68/43/350976843.db2.gz QLQYDLUFPDHIOB-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1cc(C)no1)C1CCCCC1 ZINC000631167703 350976845 /nfs/dbraw/zinc/97/68/45/350976845.db2.gz QLQYDLUFPDHIOB-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000112342776 186488046 /nfs/dbraw/zinc/48/80/46/186488046.db2.gz XTXMMRZHGOGZNC-NSHDSACASA-N 2 2 255.321 3.315 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@H]3CCCC34CC4)c2)c[nH+]1 ZINC000631194005 350986711 /nfs/dbraw/zinc/98/67/11/350986711.db2.gz UDPXGPFWJHJFLP-AWEZNQCLSA-N 2 2 273.405 3.356 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)on1 ZINC000631075229 350944291 /nfs/dbraw/zinc/94/42/91/350944291.db2.gz OJIKDOBJDHSQSA-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP CC1([NH+]2CCCC2)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000631446114 351041593 /nfs/dbraw/zinc/04/15/93/351041593.db2.gz PFAGMFDUWBPXQX-UHFFFAOYSA-N 2 2 284.407 3.018 20 0 CGADLP FC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000631284698 351015186 /nfs/dbraw/zinc/01/51/86/351015186.db2.gz RWWLFKWVRVLHML-XHSDSOJGSA-N 2 2 280.362 3.053 20 0 CGADLP FC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000631284698 351015189 /nfs/dbraw/zinc/01/51/89/351015189.db2.gz RWWLFKWVRVLHML-XHSDSOJGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823185 351148775 /nfs/dbraw/zinc/14/87/75/351148775.db2.gz YATXIYCTKUIBDS-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823185 351148779 /nfs/dbraw/zinc/14/87/79/351148779.db2.gz YATXIYCTKUIBDS-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP COc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)ccc1SC ZINC000631834368 351149494 /nfs/dbraw/zinc/14/94/94/351149494.db2.gz VYOIOHMQACFTFK-CQSZACIVSA-N 2 2 294.464 3.120 20 0 CGADLP COc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)ccc1SC ZINC000631834368 351149497 /nfs/dbraw/zinc/14/94/97/351149497.db2.gz VYOIOHMQACFTFK-CQSZACIVSA-N 2 2 294.464 3.120 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCCCC[C@H]([NH3+])C3)cc2c1 ZINC000631835577 351149799 /nfs/dbraw/zinc/14/97/99/351149799.db2.gz VIUOQNKEEIEYRO-KRWDZBQOSA-N 2 2 283.419 3.247 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCCCC[C@H]([NH3+])C3)cc2c1 ZINC000631835577 351149803 /nfs/dbraw/zinc/14/98/03/351149803.db2.gz VIUOQNKEEIEYRO-KRWDZBQOSA-N 2 2 283.419 3.247 20 0 CGADLP COc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)ccc1SC ZINC000631834367 351149828 /nfs/dbraw/zinc/14/98/28/351149828.db2.gz VYOIOHMQACFTFK-AWEZNQCLSA-N 2 2 294.464 3.120 20 0 CGADLP COc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)ccc1SC ZINC000631834367 351149831 /nfs/dbraw/zinc/14/98/31/351149831.db2.gz VYOIOHMQACFTFK-AWEZNQCLSA-N 2 2 294.464 3.120 20 0 CGADLP C[C@@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C[NH3+] ZINC000631839757 351150442 /nfs/dbraw/zinc/15/04/42/351150442.db2.gz KLPFIMSSXYDJMI-TZMCWYRMSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2csc(C3CCCCC3)n2)C[C@H]1C[NH3+] ZINC000631839757 351150444 /nfs/dbraw/zinc/15/04/44/351150444.db2.gz KLPFIMSSXYDJMI-TZMCWYRMSA-N 2 2 293.480 3.217 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887280 351151847 /nfs/dbraw/zinc/15/18/47/351151847.db2.gz QCENPBSKWVUVEY-WFASDCNBSA-N 2 2 298.352 3.279 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887280 351151852 /nfs/dbraw/zinc/15/18/52/351151852.db2.gz QCENPBSKWVUVEY-WFASDCNBSA-N 2 2 298.352 3.279 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000361481687 233646679 /nfs/dbraw/zinc/64/66/79/233646679.db2.gz PTVHOLVCXGEOSJ-ZDUSSCGKSA-N 2 2 257.381 3.397 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732546 351578331 /nfs/dbraw/zinc/57/83/31/351578331.db2.gz ITPALJHOECXVCQ-LBPRGKRZSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)s1 ZINC000635011443 351629872 /nfs/dbraw/zinc/62/98/72/351629872.db2.gz NXGMYNQDHCLTMZ-GWCFXTLKSA-N 2 2 281.469 3.189 20 0 CGADLP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445661 191141257 /nfs/dbraw/zinc/14/12/57/191141257.db2.gz CHIREUAABGCOEA-ZFWWWQNUSA-N 2 2 270.380 3.030 20 0 CGADLP CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445661 191141259 /nfs/dbraw/zinc/14/12/59/191141259.db2.gz CHIREUAABGCOEA-ZFWWWQNUSA-N 2 2 270.380 3.030 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123117477 187072297 /nfs/dbraw/zinc/07/22/97/187072297.db2.gz MUXGMQZDYJLQHM-DOTOQJQBSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123117477 187072298 /nfs/dbraw/zinc/07/22/98/187072298.db2.gz MUXGMQZDYJLQHM-DOTOQJQBSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123117477 187072299 /nfs/dbraw/zinc/07/22/99/187072299.db2.gz MUXGMQZDYJLQHM-DOTOQJQBSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123117477 187072300 /nfs/dbraw/zinc/07/23/00/187072300.db2.gz MUXGMQZDYJLQHM-DOTOQJQBSA-N 2 2 290.451 3.388 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000123146822 187074083 /nfs/dbraw/zinc/07/40/83/187074083.db2.gz VKPATTVNUUBDGG-DYVFJYSZSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000123146822 187074084 /nfs/dbraw/zinc/07/40/84/187074084.db2.gz VKPATTVNUUBDGG-DYVFJYSZSA-N 2 2 254.377 3.195 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[NH+]1CCC(C)CC1 ZINC000352273753 219388302 /nfs/dbraw/zinc/38/83/02/219388302.db2.gz PZUOYOARFLFRHE-JKSUJKDBSA-N 2 2 290.451 3.033 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100885 198162851 /nfs/dbraw/zinc/16/28/51/198162851.db2.gz HYRGWGBYCXGMLX-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100885 198162853 /nfs/dbraw/zinc/16/28/53/198162853.db2.gz HYRGWGBYCXGMLX-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100885 198162854 /nfs/dbraw/zinc/16/28/54/198162854.db2.gz HYRGWGBYCXGMLX-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3c(F)cccc3Cl)C2)C1 ZINC000292100885 198162856 /nfs/dbraw/zinc/16/28/56/198162856.db2.gz HYRGWGBYCXGMLX-INIZCTEOSA-N 2 2 296.817 3.049 20 0 CGADLP Fc1cc(F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000366265040 234159913 /nfs/dbraw/zinc/15/99/13/234159913.db2.gz FQHAOGPBQXPJTG-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366286494 234160945 /nfs/dbraw/zinc/16/09/45/234160945.db2.gz SAFGPRNSRQAUPQ-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367369021 234208886 /nfs/dbraw/zinc/20/88/86/234208886.db2.gz ZBZACNUXLLTTDC-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1N(C)C ZINC000367438513 234215548 /nfs/dbraw/zinc/21/55/48/234215548.db2.gz NKKHYLBTYGHMFO-AWEZNQCLSA-N 2 2 298.434 3.136 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000368102977 234282601 /nfs/dbraw/zinc/28/26/01/234282601.db2.gz REFYVOYDRMAURA-RHSMWYFYSA-N 2 2 267.376 3.008 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)CC2 ZINC000368102977 234282604 /nfs/dbraw/zinc/28/26/04/234282604.db2.gz REFYVOYDRMAURA-RHSMWYFYSA-N 2 2 267.376 3.008 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c2ccccc12 ZINC000155669645 188219868 /nfs/dbraw/zinc/21/98/68/188219868.db2.gz NHZBCALNPZPNED-AWEZNQCLSA-N 2 2 295.386 3.396 20 0 CGADLP Fc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157355888 188311338 /nfs/dbraw/zinc/31/13/38/188311338.db2.gz MMEVHZCPOXTKIS-QGZVFWFLSA-N 2 2 276.399 3.276 20 0 CGADLP Fc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157355888 188311340 /nfs/dbraw/zinc/31/13/40/188311340.db2.gz MMEVHZCPOXTKIS-QGZVFWFLSA-N 2 2 276.399 3.276 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175745 188600885 /nfs/dbraw/zinc/60/08/85/188600885.db2.gz KMAVOEBCPIVXOX-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000163175745 188600886 /nfs/dbraw/zinc/60/08/86/188600886.db2.gz KMAVOEBCPIVXOX-MNOVXSKESA-N 2 2 293.461 3.041 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321168 235048644 /nfs/dbraw/zinc/04/86/44/235048644.db2.gz HKBLCPTWIXYRBW-FGTMMUONSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321168 235048647 /nfs/dbraw/zinc/04/86/47/235048647.db2.gz HKBLCPTWIXYRBW-FGTMMUONSA-N 2 2 298.361 3.230 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CCc2cn(C)c[nH+]2)C(C)C)cc1 ZINC000414129120 235342560 /nfs/dbraw/zinc/34/25/60/235342560.db2.gz UJNPFIRAAJLXCF-SFHVURJKSA-N 2 2 285.435 3.128 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414073171 235329749 /nfs/dbraw/zinc/32/97/49/235329749.db2.gz VSTRXOWBLDQKPV-KGLIPLIRSA-N 2 2 295.390 3.018 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000272715853 191879898 /nfs/dbraw/zinc/87/98/98/191879898.db2.gz YUUBFJYUDFCVSE-UHFFFAOYSA-N 2 2 292.370 3.255 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000302816847 283143260 /nfs/dbraw/zinc/14/32/60/283143260.db2.gz IOZVSSHUTKMPPM-IRXDYDNUSA-N 2 2 292.386 3.420 20 0 CGADLP C[N@H+]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000302816847 283143261 /nfs/dbraw/zinc/14/32/61/283143261.db2.gz IOZVSSHUTKMPPM-IRXDYDNUSA-N 2 2 292.386 3.420 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000130143844 138399297 /nfs/dbraw/zinc/39/92/97/138399297.db2.gz JKPAZFATUFFCTK-MELADBBJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000130143844 138399298 /nfs/dbraw/zinc/39/92/98/138399298.db2.gz JKPAZFATUFFCTK-MELADBBJSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232013 236004717 /nfs/dbraw/zinc/00/47/17/236004717.db2.gz BSOKASVCARCBJY-MSOLQXFVSA-N 2 2 296.414 3.498 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)c(C)c2c1 ZINC000423276184 236018316 /nfs/dbraw/zinc/01/83/16/236018316.db2.gz MOUBXRXVLUCUBX-XHDPSFHLSA-N 2 2 288.391 3.138 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000423312572 236034747 /nfs/dbraw/zinc/03/47/47/236034747.db2.gz DNTIAFRYTQVBKS-QZTJIDSGSA-N 2 2 284.378 3.242 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423344067 236045617 /nfs/dbraw/zinc/04/56/17/236045617.db2.gz WQWQTULIOPZJHF-MRXNPFEDSA-N 2 2 296.842 3.007 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCOCC1 ZINC000423393500 236061744 /nfs/dbraw/zinc/06/17/44/236061744.db2.gz MJEUKKIRRHZXSG-LIRRHRJNSA-N 2 2 298.430 3.244 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c(C)c1 ZINC000423428012 236069654 /nfs/dbraw/zinc/06/96/54/236069654.db2.gz IUVDKIKDDBGRRK-ZGXWSNOMSA-N 2 2 292.426 3.200 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)s1 ZINC000423561657 236098735 /nfs/dbraw/zinc/09/87/35/236098735.db2.gz PVKKZKKPWOOKDJ-YPMHNXCESA-N 2 2 252.427 3.158 20 0 CGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000424379300 236158774 /nfs/dbraw/zinc/15/87/74/236158774.db2.gz VHTABENDKOWEGP-WKULXVSPSA-N 2 2 288.410 3.134 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956105 236275791 /nfs/dbraw/zinc/27/57/91/236275791.db2.gz BUAAMVQLSRUSAI-PXAZEXFGSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000425956105 236275792 /nfs/dbraw/zinc/27/57/92/236275792.db2.gz BUAAMVQLSRUSAI-PXAZEXFGSA-N 2 2 276.399 3.133 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000427868857 236352296 /nfs/dbraw/zinc/35/22/96/236352296.db2.gz BGBQQGGGSQQVNE-JSGCOSHPSA-N 2 2 285.416 3.025 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000427896376 236353506 /nfs/dbraw/zinc/35/35/06/236353506.db2.gz VJHKEOJHBMMLKX-IKGGRYGDSA-N 2 2 281.403 3.124 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000427896382 236353762 /nfs/dbraw/zinc/35/37/62/236353762.db2.gz VJHKEOJHBMMLKX-YESZJQIVSA-N 2 2 281.403 3.124 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336200147 213019945 /nfs/dbraw/zinc/01/99/45/213019945.db2.gz YODHXBDCZWKRPS-PWSUYJOCSA-N 2 2 293.773 3.341 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000294823275 199199205 /nfs/dbraw/zinc/19/92/05/199199205.db2.gz MWPGFZIVTUGQJA-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000294823275 199199207 /nfs/dbraw/zinc/19/92/07/199199207.db2.gz MWPGFZIVTUGQJA-IUODEOHRSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437111450 237252147 /nfs/dbraw/zinc/25/21/47/237252147.db2.gz QGHBTULFTYVWHN-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CCC2)C(C)C)cc1 ZINC000437104054 237253951 /nfs/dbraw/zinc/25/39/51/237253951.db2.gz NDXDQTPITYRQEP-KRWDZBQOSA-N 2 2 290.451 3.466 20 0 CGADLP Clc1cccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000297626829 200246326 /nfs/dbraw/zinc/24/63/26/200246326.db2.gz HNBRUJBWNQFPBA-UHFFFAOYSA-N 2 2 289.810 3.416 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000176991526 189019662 /nfs/dbraw/zinc/01/96/62/189019662.db2.gz VNDOHMZZUJGICF-SJORKVTESA-N 2 2 296.418 3.422 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000176991526 189019663 /nfs/dbraw/zinc/01/96/63/189019663.db2.gz VNDOHMZZUJGICF-SJORKVTESA-N 2 2 296.418 3.422 20 0 CGADLP CC[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177352536 189044848 /nfs/dbraw/zinc/04/48/48/189044848.db2.gz SVEFYDLEQYBAGQ-QGZVFWFLSA-N 2 2 284.407 3.279 20 0 CGADLP CC[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177352536 189044849 /nfs/dbraw/zinc/04/48/49/189044849.db2.gz SVEFYDLEQYBAGQ-QGZVFWFLSA-N 2 2 284.407 3.279 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388091 189047034 /nfs/dbraw/zinc/04/70/34/189047034.db2.gz SVWHIJSPEKCDEY-STQMWFEESA-N 2 2 255.365 3.321 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)c1 ZINC000341980708 216175255 /nfs/dbraw/zinc/17/52/55/216175255.db2.gz QZKPXNHHCMEVPO-GDBMZVCRSA-N 2 2 278.465 3.083 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439314128 238250315 /nfs/dbraw/zinc/25/03/15/238250315.db2.gz GRKJPTWHQPZCIV-CRAIPNDOSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439314128 238250321 /nfs/dbraw/zinc/25/03/21/238250321.db2.gz GRKJPTWHQPZCIV-CRAIPNDOSA-N 2 2 283.419 3.460 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000179736826 189216872 /nfs/dbraw/zinc/21/68/72/189216872.db2.gz KHGRTUXHAYOYKH-HNNXBMFYSA-N 2 2 273.380 3.023 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000423053297 283644651 /nfs/dbraw/zinc/64/46/51/283644651.db2.gz AIJGILXUDBEUIG-ULQDDVLXSA-N 2 2 298.361 3.384 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000301414545 201001033 /nfs/dbraw/zinc/00/10/33/201001033.db2.gz DRPLAOVDVZIJSF-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000301414545 201001035 /nfs/dbraw/zinc/00/10/35/201001035.db2.gz DRPLAOVDVZIJSF-KRWDZBQOSA-N 2 2 281.403 3.467 20 0 CGADLP C[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)C[NH+]1CCCCC1 ZINC000301426997 201005226 /nfs/dbraw/zinc/00/52/26/201005226.db2.gz CZQGZIJGTPJIBO-CQSZACIVSA-N 2 2 290.455 3.308 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119612595 370691960 /nfs/dbraw/zinc/69/19/60/370691960.db2.gz GBMTULDKZDOBDR-WMZOPIPTSA-N 2 2 287.451 3.214 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3cccc(Cl)c3)CC2)CC1 ZINC000182261184 189318726 /nfs/dbraw/zinc/31/87/26/189318726.db2.gz AOPHNGFOQQWJFL-UHFFFAOYSA-N 2 2 264.800 3.013 20 0 CGADLP c1cc2cccc(C[NH2+]Cc3cccc4[nH+]ccn43)c2[nH]1 ZINC000342337256 216315293 /nfs/dbraw/zinc/31/52/93/216315293.db2.gz ZODPCFDDSPGHIJ-UHFFFAOYSA-N 2 2 276.343 3.105 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000183161751 189348662 /nfs/dbraw/zinc/34/86/62/189348662.db2.gz FHBAOPSMJAZDPN-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000183161751 189348663 /nfs/dbraw/zinc/34/86/63/189348663.db2.gz FHBAOPSMJAZDPN-UHFFFAOYSA-N 2 2 277.799 3.449 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342471924 216364077 /nfs/dbraw/zinc/36/40/77/216364077.db2.gz OZDFHBOSADAXHZ-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000342471924 216364079 /nfs/dbraw/zinc/36/40/79/216364079.db2.gz OZDFHBOSADAXHZ-JKSUJKDBSA-N 2 2 293.455 3.189 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000449061194 239150211 /nfs/dbraw/zinc/15/02/11/239150211.db2.gz FOQRQEUTAIHJLM-UHFFFAOYSA-N 2 2 295.386 3.225 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000449062589 239151046 /nfs/dbraw/zinc/15/10/46/239151046.db2.gz YTPDXXNUCLLVNQ-DJIMGWMZSA-N 2 2 290.476 3.165 20 0 CGADLP COCC1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000449075677 239162102 /nfs/dbraw/zinc/16/21/02/239162102.db2.gz FXIMISWHVCYWFU-NUWOQIAWSA-N 2 2 282.472 3.044 20 0 CGADLP COCC1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000449075677 239162107 /nfs/dbraw/zinc/16/21/07/239162107.db2.gz FXIMISWHVCYWFU-NUWOQIAWSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000449223147 239252118 /nfs/dbraw/zinc/25/21/18/239252118.db2.gz JIUUCFTYCZPKCO-CQSZACIVSA-N 2 2 297.402 3.320 20 0 CGADLP Cc1c[nH+]ccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000120475420 370771593 /nfs/dbraw/zinc/77/15/93/370771593.db2.gz LEHLYAQQEOJXTP-UHFFFAOYSA-N 2 2 292.427 3.020 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000414126681 299344203 /nfs/dbraw/zinc/34/42/03/299344203.db2.gz FJQAJOBYESCSSM-HZRXROBNSA-N 2 2 260.425 3.312 20 0 CGADLP CC[NH+](CC)CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000342707948 216485748 /nfs/dbraw/zinc/48/57/48/216485748.db2.gz DXJNDXXVKILKGL-UHFFFAOYSA-N 2 2 286.423 3.121 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC1(C)C ZINC000486968377 299351252 /nfs/dbraw/zinc/35/12/52/299351252.db2.gz OBRHIRMHAHUECN-BHYGNILZSA-N 2 2 274.452 3.184 20 0 CGADLP Cc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c(C)[nH+]1 ZINC000451002745 240188334 /nfs/dbraw/zinc/18/83/34/240188334.db2.gz SAFYHCWKYCQNOX-VXGBXAGGSA-N 2 2 269.392 3.314 20 0 CGADLP COC[C@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451204046 240248396 /nfs/dbraw/zinc/24/83/96/240248396.db2.gz SEKAUDSPSKPWJH-GOSISDBHSA-N 2 2 299.418 3.039 20 0 CGADLP COC[C@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451204046 240248402 /nfs/dbraw/zinc/24/84/02/240248402.db2.gz SEKAUDSPSKPWJH-GOSISDBHSA-N 2 2 299.418 3.039 20 0 CGADLP C(=C\Cn1c[nH+]c2c1CCCC2)\Cn1c[nH+]c2c1CCCC2 ZINC000451188540 240241730 /nfs/dbraw/zinc/24/17/30/240241730.db2.gz QVHRJSCQDNBCJX-WAYWQWQTSA-N 2 2 296.418 3.094 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000275761796 193123158 /nfs/dbraw/zinc/12/31/58/193123158.db2.gz UPNMYPPXVURDIC-KBAYOESNSA-N 2 2 283.419 3.372 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCO1 ZINC000314876873 296118653 /nfs/dbraw/zinc/11/86/53/296118653.db2.gz GNHGPLYDNLHGMF-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631442 243158125 /nfs/dbraw/zinc/15/81/25/243158125.db2.gz QSRCJPHZLRSZSU-MPGHIAIKSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(OC(C)C)c2)[C@@H](C)C1 ZINC000480631442 243158128 /nfs/dbraw/zinc/15/81/28/243158128.db2.gz QSRCJPHZLRSZSU-MPGHIAIKSA-N 2 2 290.451 3.465 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000480025544 243133684 /nfs/dbraw/zinc/13/36/84/243133684.db2.gz YHUFZRICWTVKSP-SFHVURJKSA-N 2 2 274.452 3.329 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000482245302 243221229 /nfs/dbraw/zinc/22/12/29/243221229.db2.gz PSWIPLWZWXLDDY-ZMSDIMECSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000482245302 243221230 /nfs/dbraw/zinc/22/12/30/243221230.db2.gz PSWIPLWZWXLDDY-ZMSDIMECSA-N 2 2 274.452 3.283 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)[C@@H](C)C1 ZINC000482440411 243225582 /nfs/dbraw/zinc/22/55/82/243225582.db2.gz QKZQTLPOHMOMGA-JCGIZDLHSA-N 2 2 272.436 3.458 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)[C@@H](C)C1 ZINC000482440411 243225586 /nfs/dbraw/zinc/22/55/86/243225586.db2.gz QKZQTLPOHMOMGA-JCGIZDLHSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000482570595 243233806 /nfs/dbraw/zinc/23/38/06/243233806.db2.gz YYBDOECWBOXPIX-RDTXWAMCSA-N 2 2 292.442 3.465 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000482570595 243233811 /nfs/dbraw/zinc/23/38/11/243233811.db2.gz YYBDOECWBOXPIX-RDTXWAMCSA-N 2 2 292.442 3.465 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000486961617 243387182 /nfs/dbraw/zinc/38/71/82/243387182.db2.gz CKRWBQSEYZYSRW-WMLDXEAASA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000486965188 243387893 /nfs/dbraw/zinc/38/78/93/243387893.db2.gz JKCTVQCFGOWZOP-PBHICJAKSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC1(C)C ZINC000486981028 243391798 /nfs/dbraw/zinc/39/17/98/243391798.db2.gz MAWYSEBGCYWMOC-WBVHZDCISA-N 2 2 297.446 3.498 20 0 CGADLP Fc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000123694781 370914615 /nfs/dbraw/zinc/91/46/15/370914615.db2.gz AAORIEQLUJTSLN-UHFFFAOYSA-N 2 2 299.393 3.022 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000020092016 368800660 /nfs/dbraw/zinc/80/06/60/368800660.db2.gz WODZAWSIUAHPIP-OLZOCXBDSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000020092016 368800664 /nfs/dbraw/zinc/80/06/64/368800664.db2.gz WODZAWSIUAHPIP-OLZOCXBDSA-N 2 2 252.427 3.273 20 0 CGADLP Cc1ccccc1C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000019929518 368786087 /nfs/dbraw/zinc/78/60/87/368786087.db2.gz QGDXOQXDLIFMPY-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP Cc1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000019929518 368786090 /nfs/dbraw/zinc/78/60/90/368786090.db2.gz QGDXOQXDLIFMPY-SFHVURJKSA-N 2 2 266.388 3.053 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccnc1Cl ZINC000165290401 296130876 /nfs/dbraw/zinc/13/08/76/296130876.db2.gz NQAQNRKHFLHMCH-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000036996724 369048550 /nfs/dbraw/zinc/04/85/50/369048550.db2.gz CVJPDNMNBFYHAI-VBNZEHGJSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000036996724 369048553 /nfs/dbraw/zinc/04/85/53/369048553.db2.gz CVJPDNMNBFYHAI-VBNZEHGJSA-N 2 2 292.398 3.112 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157354 369073125 /nfs/dbraw/zinc/07/31/25/369073125.db2.gz QKCYAUIXTAOQSO-KGLIPLIRSA-N 2 2 273.380 3.021 20 0 CGADLP Cc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000037486716 369084964 /nfs/dbraw/zinc/08/49/64/369084964.db2.gz YBXJELPAANLNSQ-UHFFFAOYSA-N 2 2 277.371 3.471 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(CC)s2)CC1 ZINC000037924608 369126415 /nfs/dbraw/zinc/12/64/15/369126415.db2.gz JSBUAJMYIOKZCS-UHFFFAOYSA-N 2 2 281.469 3.060 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500449 369156707 /nfs/dbraw/zinc/15/67/07/369156707.db2.gz XYZOLSSMHAKTRI-INIZCTEOSA-N 2 2 262.441 3.248 20 0 CGADLP COc1cccc2c(NCCCn3cc[nH+]c3)cc(C)[nH+]c12 ZINC000041473936 369186545 /nfs/dbraw/zinc/18/65/45/369186545.db2.gz XNBVAJSNWFRAOT-UHFFFAOYSA-N 2 2 296.374 3.251 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@@H]1C)[C@H](C)C2 ZINC000493205885 244117068 /nfs/dbraw/zinc/11/70/68/244117068.db2.gz OVHLHHAEHYLDLY-GTYSZEQSSA-N 2 2 284.447 3.301 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)[C@H](C)C2 ZINC000493205885 244117073 /nfs/dbraw/zinc/11/70/73/244117073.db2.gz OVHLHHAEHYLDLY-GTYSZEQSSA-N 2 2 284.447 3.301 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000043326549 369249096 /nfs/dbraw/zinc/24/90/96/369249096.db2.gz JGISSADZACGENQ-WCQYABFASA-N 2 2 282.840 3.219 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)CC1CCCCC1 ZINC000494390671 244285754 /nfs/dbraw/zinc/28/57/54/244285754.db2.gz HBCMAFXOQMNPRL-GDBMZVCRSA-N 2 2 275.440 3.394 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000494915449 244331514 /nfs/dbraw/zinc/33/15/14/244331514.db2.gz CRJJTZWWTHLUPM-XJKCOSOUSA-N 2 2 271.408 3.369 20 0 CGADLP Fc1cncc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000494575112 244300232 /nfs/dbraw/zinc/30/02/32/244300232.db2.gz PUIFBWCVUWJWFS-SFHVURJKSA-N 2 2 299.393 3.147 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cs1 ZINC000049591202 369412348 /nfs/dbraw/zinc/41/23/48/369412348.db2.gz WIXXZIJHNASAQZ-UHFFFAOYSA-N 2 2 295.496 3.450 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cs1 ZINC000049591202 369412353 /nfs/dbraw/zinc/41/23/53/369412353.db2.gz WIXXZIJHNASAQZ-UHFFFAOYSA-N 2 2 295.496 3.450 20 0 CGADLP c1ccc([C@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+]2CCCC2)cc1 ZINC000050267481 369433007 /nfs/dbraw/zinc/43/30/07/369433007.db2.gz KFFIKSKKBDBQPN-ROUUACIJSA-N 2 2 286.419 3.106 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129452782 370987497 /nfs/dbraw/zinc/98/74/97/370987497.db2.gz ANXSIEGPBMPPLE-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129452782 370987500 /nfs/dbraw/zinc/98/75/00/370987500.db2.gz ANXSIEGPBMPPLE-LRDDRELGSA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H](C[NH2+]Cc1c(F)cccc1Cl)C[NH+]1CCCC1 ZINC000057993897 369551778 /nfs/dbraw/zinc/55/17/78/369551778.db2.gz VNMARAURVZRGBY-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000062072407 369616563 /nfs/dbraw/zinc/61/65/63/369616563.db2.gz LEYJLHAUJOBXCQ-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000063106056 369640722 /nfs/dbraw/zinc/64/07/22/369640722.db2.gz NGYCVRMTNUUDRF-CQSZACIVSA-N 2 2 269.392 3.297 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC[N@H+](C)C1 ZINC000063106056 369640727 /nfs/dbraw/zinc/64/07/27/369640727.db2.gz NGYCVRMTNUUDRF-CQSZACIVSA-N 2 2 269.392 3.297 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191992 369643965 /nfs/dbraw/zinc/64/39/65/369643965.db2.gz FHNCVDJEBCEOTH-PBHICJAKSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191992 369643970 /nfs/dbraw/zinc/64/39/70/369643970.db2.gz FHNCVDJEBCEOTH-PBHICJAKSA-N 2 2 276.424 3.176 20 0 CGADLP Cc1ncc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)s1 ZINC000080544447 369990495 /nfs/dbraw/zinc/99/04/95/369990495.db2.gz HUIDTVQIYUFFKB-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(C)ccc1OC ZINC000093401190 370123749 /nfs/dbraw/zinc/12/37/49/370123749.db2.gz JWOFHDKCEGOFJR-ZBFHGGJFSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(C)ccc1OC ZINC000093401190 370123753 /nfs/dbraw/zinc/12/37/53/370123753.db2.gz JWOFHDKCEGOFJR-ZBFHGGJFSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770168 370158254 /nfs/dbraw/zinc/15/82/54/370158254.db2.gz RNLFYMLCMSRPSF-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770168 370158257 /nfs/dbraw/zinc/15/82/57/370158257.db2.gz RNLFYMLCMSRPSF-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770168 370158260 /nfs/dbraw/zinc/15/82/60/370158260.db2.gz RNLFYMLCMSRPSF-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000093770168 370158264 /nfs/dbraw/zinc/15/82/64/370158264.db2.gz RNLFYMLCMSRPSF-CYBMUJFWSA-N 2 2 284.806 3.253 20 0 CGADLP CCC[N@H+](Cc1ccc2nc(C)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000097862628 370256384 /nfs/dbraw/zinc/25/63/84/370256384.db2.gz ITTAZHSSLHXAEY-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1ccc2nc(C)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000097862628 370256387 /nfs/dbraw/zinc/25/63/87/370256387.db2.gz ITTAZHSSLHXAEY-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCC1 ZINC000097928083 370256991 /nfs/dbraw/zinc/25/69/91/370256991.db2.gz QJIYPCKWMITCIK-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP COc1ccccc1[C@H](CNc1cccc(C)[nH+]1)[NH+](C)C ZINC000114183576 370493129 /nfs/dbraw/zinc/49/31/29/370493129.db2.gz APXRHQGQSBKHMF-HNNXBMFYSA-N 2 2 285.391 3.113 20 0 CGADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000115610203 370537569 /nfs/dbraw/zinc/53/75/69/370537569.db2.gz IZQWTINGAPBGOC-UHFFFAOYSA-N 2 2 299.349 3.380 20 0 CGADLP COC1CCC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343987642 217005909 /nfs/dbraw/zinc/00/59/09/217005909.db2.gz OEVOYFUHWFHTAV-ZLPCBKJTSA-N 2 2 290.451 3.054 20 0 CGADLP COC1CCC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343987642 217005910 /nfs/dbraw/zinc/00/59/10/217005910.db2.gz OEVOYFUHWFHTAV-ZLPCBKJTSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842476 370628547 /nfs/dbraw/zinc/62/85/47/370628547.db2.gz ZEAPTYQQEYTGNR-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842476 370628554 /nfs/dbraw/zinc/62/85/54/370628554.db2.gz ZEAPTYQQEYTGNR-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842476 370628561 /nfs/dbraw/zinc/62/85/61/370628561.db2.gz ZEAPTYQQEYTGNR-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842476 370628567 /nfs/dbraw/zinc/62/85/67/370628567.db2.gz ZEAPTYQQEYTGNR-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000423024220 296163246 /nfs/dbraw/zinc/16/32/46/296163246.db2.gz IRSQVPKXXWXEDA-DFBGVHRSSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000131535238 371113341 /nfs/dbraw/zinc/11/33/41/371113341.db2.gz ZWVYNVKZTFVVHX-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1Cl ZINC000131535238 371113345 /nfs/dbraw/zinc/11/33/45/371113345.db2.gz ZWVYNVKZTFVVHX-UWVGGRQHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219425 371159253 /nfs/dbraw/zinc/15/92/53/371159253.db2.gz CLTQUQQRHYCVBG-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219425 371159258 /nfs/dbraw/zinc/15/92/58/371159258.db2.gz CLTQUQQRHYCVBG-GXSJLCMTSA-N 2 2 290.304 3.014 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000133546297 371261042 /nfs/dbraw/zinc/26/10/42/371261042.db2.gz XECXSCQEURPJSA-MAZHCROVSA-N 2 2 296.842 3.148 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000133499592 371256755 /nfs/dbraw/zinc/25/67/55/371256755.db2.gz GPCLHESVUVNRBF-OLZOCXBDSA-N 2 2 295.496 3.261 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000133499592 371256759 /nfs/dbraw/zinc/25/67/59/371256759.db2.gz GPCLHESVUVNRBF-OLZOCXBDSA-N 2 2 295.496 3.261 20 0 CGADLP CC[C@H](C)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000133571561 371264363 /nfs/dbraw/zinc/26/43/63/371264363.db2.gz ZDMFCZKAUBIZLG-ZDUSSCGKSA-N 2 2 259.397 3.142 20 0 CGADLP CCC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000134114811 371305159 /nfs/dbraw/zinc/30/51/59/371305159.db2.gz GVHJAWGUWPQAOY-HNNXBMFYSA-N 2 2 275.440 3.214 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000135093577 371390365 /nfs/dbraw/zinc/39/03/65/371390365.db2.gz SFBIMMRWAAWUFM-AWEZNQCLSA-N 2 2 294.414 3.361 20 0 CGADLP C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136087730 371460143 /nfs/dbraw/zinc/46/01/43/371460143.db2.gz CDVOCHONSIQQIE-WIVVLVHASA-N 2 2 281.403 3.479 20 0 CGADLP C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136087730 371460145 /nfs/dbraw/zinc/46/01/45/371460145.db2.gz CDVOCHONSIQQIE-WIVVLVHASA-N 2 2 281.403 3.479 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000020189501 541854873 /nfs/dbraw/zinc/85/48/73/541854873.db2.gz JNJSTBJLMIVANG-NSHDSACASA-N 2 2 281.469 3.283 20 0 CGADLP CC(C)C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000151112826 371569458 /nfs/dbraw/zinc/56/94/58/371569458.db2.gz GBLSDGQDRHXDRA-INIZCTEOSA-N 2 2 272.396 3.045 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccncc1 ZINC000287354147 371644105 /nfs/dbraw/zinc/64/41/05/371644105.db2.gz NRHOPNYCNSORMD-FRQCXROJSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccncc1 ZINC000287354147 371644106 /nfs/dbraw/zinc/64/41/06/371644106.db2.gz NRHOPNYCNSORMD-FRQCXROJSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152450996 371695931 /nfs/dbraw/zinc/69/59/31/371695931.db2.gz COHPAJGFESAWSB-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152450996 371695937 /nfs/dbraw/zinc/69/59/37/371695937.db2.gz COHPAJGFESAWSB-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152450996 371695943 /nfs/dbraw/zinc/69/59/43/371695943.db2.gz COHPAJGFESAWSB-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152450996 371695948 /nfs/dbraw/zinc/69/59/48/371695948.db2.gz COHPAJGFESAWSB-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000152484551 371697569 /nfs/dbraw/zinc/69/75/69/371697569.db2.gz FZSNCQRDESTDKY-FUHWJXTLSA-N 2 2 281.403 3.321 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000152484551 371697573 /nfs/dbraw/zinc/69/75/73/371697573.db2.gz FZSNCQRDESTDKY-FUHWJXTLSA-N 2 2 281.403 3.321 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000337333208 214011780 /nfs/dbraw/zinc/01/17/80/214011780.db2.gz JGNNKCZOPGNEGB-WMZOPIPTSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000337333208 214011783 /nfs/dbraw/zinc/01/17/83/214011783.db2.gz JGNNKCZOPGNEGB-WMZOPIPTSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000422774197 371797371 /nfs/dbraw/zinc/79/73/71/371797371.db2.gz WBQCBEZXUNKWKZ-BXUZGUMPSA-N 2 2 284.856 3.162 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000289740089 371806858 /nfs/dbraw/zinc/80/68/58/371806858.db2.gz MAXPUPDQNWOMJD-OAHLLOKOSA-N 2 2 299.418 3.430 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422791103 371810196 /nfs/dbraw/zinc/81/01/96/371810196.db2.gz VJASZXOJADVIEQ-JTNHKYCSSA-N 2 2 297.240 3.240 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422812945 371825210 /nfs/dbraw/zinc/82/52/10/371825210.db2.gz YNFPTYJNHQETFS-GUYCJALGSA-N 2 2 284.403 3.079 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154606648 371861167 /nfs/dbraw/zinc/86/11/67/371861167.db2.gz XYRPOAYQYDVLEJ-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CCCCC1CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422935826 371879688 /nfs/dbraw/zinc/87/96/88/371879688.db2.gz DWNNWCCUFVCDEI-ZGRYLRDCSA-N 2 2 282.472 3.092 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(CSC)c1)[C@@H]1CCC[NH2+]1 ZINC000423053265 371937971 /nfs/dbraw/zinc/93/79/71/371937971.db2.gz AFSHLPKYZRGBSM-HOTGVXAUSA-N 2 2 278.465 3.170 20 0 CGADLP CSCc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423060493 371941404 /nfs/dbraw/zinc/94/14/04/371941404.db2.gz OPGGGWLBKBLXGJ-CZUORRHYSA-N 2 2 278.465 3.170 20 0 CGADLP CC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCS1 ZINC000290073427 371895388 /nfs/dbraw/zinc/89/53/88/371895388.db2.gz QFBIBAUHDMANJF-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCS1 ZINC000290073427 371895398 /nfs/dbraw/zinc/89/53/98/371895398.db2.gz QFBIBAUHDMANJF-HNNXBMFYSA-N 2 2 264.438 3.150 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423008208 371913019 /nfs/dbraw/zinc/91/30/19/371913019.db2.gz SSWLMFKFRHNVQC-RUGDWHBFSA-N 2 2 288.435 3.152 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)Oc1ccccc1 ZINC000290237237 371943954 /nfs/dbraw/zinc/94/39/54/371943954.db2.gz GINRJOKPWDTBHJ-INIZCTEOSA-N 2 2 284.403 3.380 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1c(C)noc1C ZINC000423015965 371916973 /nfs/dbraw/zinc/91/69/73/371916973.db2.gz RYNCSXXMIRLZMU-HRCADAONSA-N 2 2 285.391 3.477 20 0 CGADLP CCCCCn1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000423033991 371926224 /nfs/dbraw/zinc/92/62/24/371926224.db2.gz ZZVLENPWFKNWRW-WBVHZDCISA-N 2 2 292.471 3.002 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000290310201 371959744 /nfs/dbraw/zinc/95/97/44/371959744.db2.gz CCQVPBOWQHZWOF-OAHLLOKOSA-N 2 2 295.390 3.011 20 0 CGADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000290310201 371959745 /nfs/dbraw/zinc/95/97/45/371959745.db2.gz CCQVPBOWQHZWOF-OAHLLOKOSA-N 2 2 295.390 3.011 20 0 CGADLP CSCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423111613 371972876 /nfs/dbraw/zinc/97/28/76/371972876.db2.gz QSIKDKFQSNRKPM-CJNGLKHVSA-N 2 2 278.465 3.170 20 0 CGADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423115537 371974925 /nfs/dbraw/zinc/97/49/25/371974925.db2.gz YETFXNSBKLEVKO-ZWNOBZJWSA-N 2 2 288.769 3.149 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423128543 371980287 /nfs/dbraw/zinc/98/02/87/371980287.db2.gz KWBOSCUUIKACLB-WFASDCNBSA-N 2 2 264.438 3.029 20 0 CGADLP Cc1ccoc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423128981 371980621 /nfs/dbraw/zinc/98/06/21/371980621.db2.gz LMYRVIJARLEAEX-JKSUJKDBSA-N 2 2 270.376 3.171 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423136171 371985160 /nfs/dbraw/zinc/98/51/60/371985160.db2.gz USSADKHEKSYFEC-BBRMVZONSA-N 2 2 278.465 3.419 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423159677 371995802 /nfs/dbraw/zinc/99/58/02/371995802.db2.gz PRJYDYLYGFMKIZ-SYAUCNOPSA-N 2 2 274.408 3.019 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073452 371947717 /nfs/dbraw/zinc/94/77/17/371947717.db2.gz RMZCLWLRDURNFT-GYSYKLTISA-N 2 2 276.355 3.363 20 0 CGADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]CC[NH3+])cc2)c1 ZINC000423192337 372018758 /nfs/dbraw/zinc/01/87/58/372018758.db2.gz UNXKVVGLQJUBNH-HNNXBMFYSA-N 2 2 284.403 3.183 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)c(F)c1 ZINC000423195970 372021184 /nfs/dbraw/zinc/02/11/84/372021184.db2.gz YQOFQEQWTFZHFG-GFCCVEGCSA-N 2 2 274.339 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423201323 372025478 /nfs/dbraw/zinc/02/54/78/372025478.db2.gz IEDJYQUFRLQISX-PELKAZGASA-N 2 2 259.180 3.006 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@H]1OC ZINC000344166165 217081712 /nfs/dbraw/zinc/08/17/12/217081712.db2.gz JTXRDQKEWNRNJS-HUUCEWRRSA-N 2 2 291.439 3.067 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423363653 372056908 /nfs/dbraw/zinc/05/69/08/372056908.db2.gz ARZAHUKHZRDTHG-VDERGJSUSA-N 2 2 258.409 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)o1 ZINC000423177959 372005953 /nfs/dbraw/zinc/00/59/53/372005953.db2.gz BJQRXAAMWSNWFF-DZGCQCFKSA-N 2 2 270.376 3.349 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177170 372006857 /nfs/dbraw/zinc/00/68/57/372006857.db2.gz ANLMTNIUENQDTN-HOCLYGCPSA-N 2 2 258.409 3.022 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1F ZINC000423179308 372008662 /nfs/dbraw/zinc/00/86/62/372008662.db2.gz LWRKIEVYOJNDKG-GFCCVEGCSA-N 2 2 250.361 3.138 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423185450 372012127 /nfs/dbraw/zinc/01/21/27/372012127.db2.gz JKYNXISJTXFKIL-SUMWQHHRSA-N 2 2 284.403 3.251 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]C1CCC2(CC2)CC1 ZINC000423415010 372062483 /nfs/dbraw/zinc/06/24/83/372062483.db2.gz DBFRDLOYNNIADF-KRWDZBQOSA-N 2 2 270.420 3.186 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000423483594 372068582 /nfs/dbraw/zinc/06/85/82/372068582.db2.gz XZXYPMJFMRJQDI-BBRMVZONSA-N 2 2 276.424 3.351 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccn1 ZINC000158581490 372075173 /nfs/dbraw/zinc/07/51/73/372075173.db2.gz GGVWWFSWLDPEHL-INIZCTEOSA-N 2 2 294.402 3.403 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000040672559 541870179 /nfs/dbraw/zinc/87/01/79/541870179.db2.gz GMQZNTRPUPKCMQ-DGCLKSJQSA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000040672559 541870186 /nfs/dbraw/zinc/87/01/86/541870186.db2.gz GMQZNTRPUPKCMQ-DGCLKSJQSA-N 2 2 252.427 3.110 20 0 CGADLP CCc1ccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000292954086 372259709 /nfs/dbraw/zinc/25/97/09/372259709.db2.gz ATPWRPDWACJNDB-GOSISDBHSA-N 2 2 283.419 3.243 20 0 CGADLP CCc1ccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)cc1 ZINC000292954086 372259712 /nfs/dbraw/zinc/25/97/12/372259712.db2.gz ATPWRPDWACJNDB-GOSISDBHSA-N 2 2 283.419 3.243 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCC[C@@H]21 ZINC000292991732 372271478 /nfs/dbraw/zinc/27/14/78/372271478.db2.gz IGCVMWKSTKEKHY-HOTGVXAUSA-N 2 2 296.418 3.278 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]2CCC[C@@H]21 ZINC000292991732 372271484 /nfs/dbraw/zinc/27/14/84/372271484.db2.gz IGCVMWKSTKEKHY-HOTGVXAUSA-N 2 2 296.418 3.278 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293036730 372284537 /nfs/dbraw/zinc/28/45/37/372284537.db2.gz RYGAPFFDAOIQPW-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293036730 372284541 /nfs/dbraw/zinc/28/45/41/372284541.db2.gz RYGAPFFDAOIQPW-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293036730 372284545 /nfs/dbraw/zinc/28/45/45/372284545.db2.gz RYGAPFFDAOIQPW-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293036730 372284552 /nfs/dbraw/zinc/28/45/52/372284552.db2.gz RYGAPFFDAOIQPW-KSSFIOAISA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@@H+]1C ZINC000344333450 217155161 /nfs/dbraw/zinc/15/51/61/217155161.db2.gz PRMOOJUHUMNMRI-DNVCBOLYSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@H+]1C ZINC000344333450 217155163 /nfs/dbraw/zinc/15/51/63/217155163.db2.gz PRMOOJUHUMNMRI-DNVCBOLYSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2c1OC(C)(C)C2)Cn1cc[nH+]c1 ZINC000161830488 372355926 /nfs/dbraw/zinc/35/59/26/372355926.db2.gz XREIMZATMCPXKP-CQSZACIVSA-N 2 2 299.418 3.023 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621510 372407022 /nfs/dbraw/zinc/40/70/22/372407022.db2.gz HFOASTSWMZYAFY-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000162621510 372407027 /nfs/dbraw/zinc/40/70/27/372407027.db2.gz HFOASTSWMZYAFY-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939887 372408555 /nfs/dbraw/zinc/40/85/55/372408555.db2.gz MSYYDLSEEYMWFQ-NFAWXSAZSA-N 2 2 285.391 3.072 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939887 372408560 /nfs/dbraw/zinc/40/85/60/372408560.db2.gz MSYYDLSEEYMWFQ-NFAWXSAZSA-N 2 2 285.391 3.072 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1F ZINC000163468899 372473094 /nfs/dbraw/zinc/47/30/94/372473094.db2.gz QVBZWTSMSQXEOI-DOMZBBRYSA-N 2 2 261.344 3.152 20 0 CGADLP CS[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000344370777 217172758 /nfs/dbraw/zinc/17/27/58/217172758.db2.gz YJUSYWBOPNAWBF-ZDUSSCGKSA-N 2 2 277.437 3.202 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225036 372456346 /nfs/dbraw/zinc/45/63/46/372456346.db2.gz PKUOOMQZNULVJY-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000163225036 372456349 /nfs/dbraw/zinc/45/63/49/372456349.db2.gz PKUOOMQZNULVJY-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163758390 372490499 /nfs/dbraw/zinc/49/04/99/372490499.db2.gz QVJFWKQZQLMYRL-LLVKDONJSA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163758390 372490508 /nfs/dbraw/zinc/49/05/08/372490508.db2.gz QVJFWKQZQLMYRL-LLVKDONJSA-N 2 2 290.304 3.015 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CF)n1-c1ccccc1 ZINC000294095522 372579409 /nfs/dbraw/zinc/57/94/09/372579409.db2.gz RTXYJVPIZUZLDB-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CF)n1-c1ccccc1 ZINC000294095522 372579417 /nfs/dbraw/zinc/57/94/17/372579417.db2.gz RTXYJVPIZUZLDB-HNNXBMFYSA-N 2 2 273.355 3.115 20 0 CGADLP C[C@H](CNc1[nH+]ccc2ccccc21)C[NH+]1CCCC1 ZINC000168683308 372617076 /nfs/dbraw/zinc/61/70/76/372617076.db2.gz KQTHWKDDZMJVII-CQSZACIVSA-N 2 2 269.392 3.379 20 0 CGADLP CC[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000435615824 372785092 /nfs/dbraw/zinc/78/50/92/372785092.db2.gz QOASQOIATFRUJN-CYBMUJFWSA-N 2 2 289.448 3.260 20 0 CGADLP CC[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000435615824 372785095 /nfs/dbraw/zinc/78/50/95/372785095.db2.gz QOASQOIATFRUJN-CYBMUJFWSA-N 2 2 289.448 3.260 20 0 CGADLP C[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000438131563 372896407 /nfs/dbraw/zinc/89/64/07/372896407.db2.gz XDLKZEIJYAOQQU-DUVNUKRYSA-N 2 2 278.827 3.127 20 0 CGADLP C[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)c1cccc(Cl)c1 ZINC000438131563 372896410 /nfs/dbraw/zinc/89/64/10/372896410.db2.gz XDLKZEIJYAOQQU-DUVNUKRYSA-N 2 2 278.827 3.127 20 0 CGADLP CC(C)[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438347425 372930997 /nfs/dbraw/zinc/93/09/97/372930997.db2.gz SXEYGCXVCKOUIX-AWEZNQCLSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438347425 372931003 /nfs/dbraw/zinc/93/10/03/372931003.db2.gz SXEYGCXVCKOUIX-AWEZNQCLSA-N 2 2 257.381 3.202 20 0 CGADLP CC1(C)CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438348631 372934764 /nfs/dbraw/zinc/93/47/64/372934764.db2.gz KYKNXGIBSDZRGA-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP CC1(C)CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000438348631 372934772 /nfs/dbraw/zinc/93/47/72/372934772.db2.gz KYKNXGIBSDZRGA-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC1 ZINC000296179754 373044939 /nfs/dbraw/zinc/04/49/39/373044939.db2.gz XRSVUSREIRUIKE-LLVKDONJSA-N 2 2 275.783 3.414 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000296660740 373213291 /nfs/dbraw/zinc/21/32/91/373213291.db2.gz FDPSZKHTNDYVIR-CQSZACIVSA-N 2 2 286.423 3.446 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905418 373213515 /nfs/dbraw/zinc/21/35/15/373213515.db2.gz XTWWCKKJHINUCM-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905418 373213523 /nfs/dbraw/zinc/21/35/23/373213523.db2.gz XTWWCKKJHINUCM-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905418 373213529 /nfs/dbraw/zinc/21/35/29/373213529.db2.gz XTWWCKKJHINUCM-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000173905418 373213536 /nfs/dbraw/zinc/21/35/36/373213536.db2.gz XTWWCKKJHINUCM-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000173781694 373190659 /nfs/dbraw/zinc/19/06/59/373190659.db2.gz RUTPVRKZWYVAAH-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000173781694 373190662 /nfs/dbraw/zinc/19/06/62/373190662.db2.gz RUTPVRKZWYVAAH-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCC2)o1 ZINC000353593652 220178608 /nfs/dbraw/zinc/17/86/08/220178608.db2.gz DIAKLUKTSMFSIH-GUYCJALGSA-N 2 2 285.391 3.299 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CCC2)o1 ZINC000353593652 220178611 /nfs/dbraw/zinc/17/86/11/220178611.db2.gz DIAKLUKTSMFSIH-GUYCJALGSA-N 2 2 285.391 3.299 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CS1 ZINC000446843496 373372143 /nfs/dbraw/zinc/37/21/43/373372143.db2.gz NVOWBVFWRMBCJI-GJZGRUSLSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CS1 ZINC000446843496 373372147 /nfs/dbraw/zinc/37/21/47/373372147.db2.gz NVOWBVFWRMBCJI-GJZGRUSLSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447811767 373496197 /nfs/dbraw/zinc/49/61/97/373496197.db2.gz HQGVYAKVOIJZOT-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000447811767 373496206 /nfs/dbraw/zinc/49/62/06/373496206.db2.gz HQGVYAKVOIJZOT-CVEARBPZSA-N 2 2 260.425 3.254 20 0 CGADLP COC1(C[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000447897347 373519676 /nfs/dbraw/zinc/51/96/76/373519676.db2.gz MABSCQAGQBBKQW-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP COC1(C[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000447897347 373519677 /nfs/dbraw/zinc/51/96/77/373519677.db2.gz MABSCQAGQBBKQW-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447938489 373525187 /nfs/dbraw/zinc/52/51/87/373525187.db2.gz GEQOUWOCQQDOIW-OLZOCXBDSA-N 2 2 295.496 3.403 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000063194582 541888786 /nfs/dbraw/zinc/88/87/86/541888786.db2.gz MLPVFINVCHCDEB-WFASDCNBSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000063194582 541888790 /nfs/dbraw/zinc/88/87/90/541888790.db2.gz MLPVFINVCHCDEB-WFASDCNBSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000177179614 373660595 /nfs/dbraw/zinc/66/05/95/373660595.db2.gz AICDTWDLDNJRRJ-OCCSQVGLSA-N 2 2 264.438 3.273 20 0 CGADLP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000301155727 373677042 /nfs/dbraw/zinc/67/70/42/373677042.db2.gz AFQCLWDDVJXKMX-KRWDZBQOSA-N 2 2 281.403 3.058 20 0 CGADLP c1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000301155727 373677051 /nfs/dbraw/zinc/67/70/51/373677051.db2.gz AFQCLWDDVJXKMX-KRWDZBQOSA-N 2 2 281.403 3.058 20 0 CGADLP Fc1ccc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)cc1Cl ZINC000449448117 373730178 /nfs/dbraw/zinc/73/01/78/373730178.db2.gz FCWRTPYNWJAIBO-CQSZACIVSA-N 2 2 279.746 3.443 20 0 CGADLP CSC1(C[NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000289552280 197398723 /nfs/dbraw/zinc/39/87/23/197398723.db2.gz GHUUYRQGXYODTM-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178875070 373815074 /nfs/dbraw/zinc/81/50/74/373815074.db2.gz OPLUDDSWDFQILH-HNNXBMFYSA-N 2 2 299.418 3.076 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000301646073 373793635 /nfs/dbraw/zinc/79/36/35/373793635.db2.gz NWKAJVXOOLKSMB-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000301646073 373793642 /nfs/dbraw/zinc/79/36/42/373793642.db2.gz NWKAJVXOOLKSMB-HNNXBMFYSA-N 2 2 269.392 3.322 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000289531626 197392566 /nfs/dbraw/zinc/39/25/66/197392566.db2.gz FGFRTQADYWBQNF-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353670023 220242975 /nfs/dbraw/zinc/24/29/75/220242975.db2.gz FTFQUVDMYWKCAF-DOTOQJQBSA-N 2 2 282.387 3.130 20 0 CGADLP c1cc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353670023 220242978 /nfs/dbraw/zinc/24/29/78/220242978.db2.gz FTFQUVDMYWKCAF-DOTOQJQBSA-N 2 2 282.387 3.130 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000450265086 374028366 /nfs/dbraw/zinc/02/83/66/374028366.db2.gz IEVOWBRPHVMUGQ-QGZVFWFLSA-N 2 2 262.441 3.437 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000450265086 374028371 /nfs/dbraw/zinc/02/83/71/374028371.db2.gz IEVOWBRPHVMUGQ-QGZVFWFLSA-N 2 2 262.441 3.437 20 0 CGADLP C[C@H](CCc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181084128 374076401 /nfs/dbraw/zinc/07/64/01/374076401.db2.gz JNDIUOBLULUVRL-MRXNPFEDSA-N 2 2 271.408 3.226 20 0 CGADLP C[C@H](CCc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181084128 374076407 /nfs/dbraw/zinc/07/64/07/374076407.db2.gz JNDIUOBLULUVRL-MRXNPFEDSA-N 2 2 271.408 3.226 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289491315 197374194 /nfs/dbraw/zinc/37/41/94/197374194.db2.gz RSBHGKFRBNRBLM-GOSISDBHSA-N 2 2 284.403 3.036 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nccn1C ZINC000182264354 374247769 /nfs/dbraw/zinc/24/77/69/374247769.db2.gz VFDGVYGGCPEDKK-MRXNPFEDSA-N 2 2 292.471 3.115 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nccn1C ZINC000182264354 374247777 /nfs/dbraw/zinc/24/77/77/374247777.db2.gz VFDGVYGGCPEDKK-MRXNPFEDSA-N 2 2 292.471 3.115 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000319681944 374347247 /nfs/dbraw/zinc/34/72/47/374347247.db2.gz SLUVYOUQGPOICX-AWEZNQCLSA-N 2 2 299.418 3.386 20 0 CGADLP COc1cccc2c1cc[nH+]c2NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000319681944 374347252 /nfs/dbraw/zinc/34/72/52/374347252.db2.gz SLUVYOUQGPOICX-AWEZNQCLSA-N 2 2 299.418 3.386 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccsc1 ZINC000453275541 374384402 /nfs/dbraw/zinc/38/44/02/374384402.db2.gz WXDMECXWTGSXFW-JKSUJKDBSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccsc1 ZINC000453275541 374384405 /nfs/dbraw/zinc/38/44/05/374384405.db2.gz WXDMECXWTGSXFW-JKSUJKDBSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1cncc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000184279508 374509137 /nfs/dbraw/zinc/50/91/37/374509137.db2.gz PNESOWBZLKEESN-OAHLLOKOSA-N 2 2 296.418 3.105 20 0 CGADLP Cn1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090188367 541958081 /nfs/dbraw/zinc/95/80/81/541958081.db2.gz ZPJPVZGLPCSJSC-GOSISDBHSA-N 2 2 297.446 3.168 20 0 CGADLP Cn1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000090188367 541958084 /nfs/dbraw/zinc/95/80/84/541958084.db2.gz ZPJPVZGLPCSJSC-GOSISDBHSA-N 2 2 297.446 3.168 20 0 CGADLP c1cn(CC[NH2+]C2(Cc3ccccc3)CCCC2)c[nH+]1 ZINC000185828983 374746741 /nfs/dbraw/zinc/74/67/41/374746741.db2.gz HBBCRFASNUTYMG-UHFFFAOYSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(O)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185680995 374713965 /nfs/dbraw/zinc/71/39/65/374713965.db2.gz NNWLRWMCIXZRNH-RDTXWAMCSA-N 2 2 284.403 3.173 20 0 CGADLP FC1(F)CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000334526229 374822418 /nfs/dbraw/zinc/82/24/18/374822418.db2.gz JUJIJADWVJQEDA-ZDUSSCGKSA-N 2 2 283.366 3.346 20 0 CGADLP C[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334640332 374933191 /nfs/dbraw/zinc/93/31/91/374933191.db2.gz LWVMENXHVIMIMB-ZDUSSCGKSA-N 2 2 255.365 3.350 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+](C)C ZINC000474047665 375074124 /nfs/dbraw/zinc/07/41/24/375074124.db2.gz QKLWSWKPGVGFLT-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(F)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000335146561 375173631 /nfs/dbraw/zinc/17/36/31/375173631.db2.gz KTRUZARHDIXTFW-UHFFFAOYSA-N 2 2 291.345 3.376 20 0 CGADLP Cc1cc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000335146561 375173636 /nfs/dbraw/zinc/17/36/36/375173636.db2.gz KTRUZARHDIXTFW-UHFFFAOYSA-N 2 2 291.345 3.376 20 0 CGADLP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@H](c1ccccc1)[NH+](C)C ZINC000487562448 375254400 /nfs/dbraw/zinc/25/44/00/375254400.db2.gz SDQVJQFBSIJUOD-CBVOVTJASA-N 2 2 295.430 3.376 20 0 CGADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)C1CC[NH2+]CC1 ZINC000335734724 375387094 /nfs/dbraw/zinc/38/70/94/375387094.db2.gz BZKRAJFJNMFIKD-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)C1CC[NH2+]CC1 ZINC000335734724 375387099 /nfs/dbraw/zinc/38/70/99/375387099.db2.gz BZKRAJFJNMFIKD-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1nc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cs1 ZINC000189764556 375444509 /nfs/dbraw/zinc/44/45/09/375444509.db2.gz RPABDYQJMWYDHD-DZGCQCFKSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cs1 ZINC000189764556 375444512 /nfs/dbraw/zinc/44/45/12/375444512.db2.gz RPABDYQJMWYDHD-DZGCQCFKSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cs1 ZINC000189764556 375444514 /nfs/dbraw/zinc/44/45/14/375444514.db2.gz RPABDYQJMWYDHD-DZGCQCFKSA-N 2 2 279.453 3.073 20 0 CGADLP Cc1nc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cs1 ZINC000189764556 375444515 /nfs/dbraw/zinc/44/45/15/375444515.db2.gz RPABDYQJMWYDHD-DZGCQCFKSA-N 2 2 279.453 3.073 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162886 296229385 /nfs/dbraw/zinc/22/93/85/296229385.db2.gz OTMAWKZKHQFTFK-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292162886 296229387 /nfs/dbraw/zinc/22/93/87/296229387.db2.gz OTMAWKZKHQFTFK-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162886 296229389 /nfs/dbraw/zinc/22/93/89/296229389.db2.gz OTMAWKZKHQFTFK-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292162886 296229390 /nfs/dbraw/zinc/22/93/90/296229390.db2.gz OTMAWKZKHQFTFK-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC(C)(C)COC)c1ccccc1 ZINC000494367115 375488781 /nfs/dbraw/zinc/48/87/81/375488781.db2.gz MJMIYVCILYPIRX-QGZVFWFLSA-N 2 2 292.467 3.332 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000190851984 375544513 /nfs/dbraw/zinc/54/45/13/375544513.db2.gz IOLHUJHLSCCUER-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000190851984 375544515 /nfs/dbraw/zinc/54/45/15/375544515.db2.gz IOLHUJHLSCCUER-AWEZNQCLSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000191114707 375579191 /nfs/dbraw/zinc/57/91/91/375579191.db2.gz IWVDMNXGIMBANN-ZIAGYGMSSA-N 2 2 257.381 3.393 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000335998068 375605271 /nfs/dbraw/zinc/60/52/71/375605271.db2.gz LKXHBPFUDZRUKB-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000335998068 375605279 /nfs/dbraw/zinc/60/52/79/375605279.db2.gz LKXHBPFUDZRUKB-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000192390490 375743426 /nfs/dbraw/zinc/74/34/26/375743426.db2.gz CTFGVKCZQBFVNV-GDBMZVCRSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336531973 375811012 /nfs/dbraw/zinc/81/10/12/375811012.db2.gz PXYMKVJVPRMWAS-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336531973 375811018 /nfs/dbraw/zinc/81/10/18/375811018.db2.gz PXYMKVJVPRMWAS-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(O)c1 ZINC000193023722 375815353 /nfs/dbraw/zinc/81/53/53/375815353.db2.gz SHODPSXGQOZFGD-AWEZNQCLSA-N 2 2 293.370 3.429 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000520428798 375856746 /nfs/dbraw/zinc/85/67/46/375856746.db2.gz ABCKLCSJKXVZTH-LLVKDONJSA-N 2 2 275.421 3.301 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336720485 375918289 /nfs/dbraw/zinc/91/82/89/375918289.db2.gz TXBCCAPEDZGDRR-RKVPGOIHSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000336720485 375918293 /nfs/dbraw/zinc/91/82/93/375918293.db2.gz TXBCCAPEDZGDRR-RKVPGOIHSA-N 2 2 272.436 3.428 20 0 CGADLP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000193823193 375925783 /nfs/dbraw/zinc/92/57/83/375925783.db2.gz FMXDMPXSRXLHMK-CYBMUJFWSA-N 2 2 287.432 3.419 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000193951443 375942357 /nfs/dbraw/zinc/94/23/57/375942357.db2.gz BOLZWOAHKXMYRU-CQSZACIVSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000193951443 375942364 /nfs/dbraw/zinc/94/23/64/375942364.db2.gz BOLZWOAHKXMYRU-CQSZACIVSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)on1 ZINC000336836296 375998565 /nfs/dbraw/zinc/99/85/65/375998565.db2.gz LCWFZWAJDSIBOI-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)on1 ZINC000336836296 375998568 /nfs/dbraw/zinc/99/85/68/375998568.db2.gz LCWFZWAJDSIBOI-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)on1 ZINC000336836296 375998570 /nfs/dbraw/zinc/99/85/70/375998570.db2.gz LCWFZWAJDSIBOI-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)on1 ZINC000336836296 375998573 /nfs/dbraw/zinc/99/85/73/375998573.db2.gz LCWFZWAJDSIBOI-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000536067676 376077434 /nfs/dbraw/zinc/07/74/34/376077434.db2.gz VFLJGCAZGRNJJQ-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000536067676 376077441 /nfs/dbraw/zinc/07/74/41/376077441.db2.gz VFLJGCAZGRNJJQ-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP COc1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)C(C)C)cc1 ZINC000536961042 376144209 /nfs/dbraw/zinc/14/42/09/376144209.db2.gz VEDCKRKKKLNOLH-GOSISDBHSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234792 376187689 /nfs/dbraw/zinc/18/76/89/376187689.db2.gz UZAYTOKPPDIJMN-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c(F)c1 ZINC000218234792 376187698 /nfs/dbraw/zinc/18/76/98/376187698.db2.gz UZAYTOKPPDIJMN-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1N(C)C ZINC000536704469 376125989 /nfs/dbraw/zinc/12/59/89/376125989.db2.gz BGHXYSRMMBVCTB-HNNXBMFYSA-N 2 2 286.423 3.080 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222853267 376242271 /nfs/dbraw/zinc/24/22/71/376242271.db2.gz PJEJGPFVMIYDSL-ZMSDIMECSA-N 2 2 272.436 3.141 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222853267 376242276 /nfs/dbraw/zinc/24/22/76/376242276.db2.gz PJEJGPFVMIYDSL-ZMSDIMECSA-N 2 2 272.436 3.141 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000338203121 376282493 /nfs/dbraw/zinc/28/24/93/376282493.db2.gz CFLDDOYWGVKAFG-HSMVNMDESA-N 2 2 292.373 3.169 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000338203121 376282498 /nfs/dbraw/zinc/28/24/98/376282498.db2.gz CFLDDOYWGVKAFG-HSMVNMDESA-N 2 2 292.373 3.169 20 0 CGADLP COc1ccc(C)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338252817 376299579 /nfs/dbraw/zinc/29/95/79/376299579.db2.gz AYTWNTIJOKRUKI-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338252817 376299588 /nfs/dbraw/zinc/29/95/88/376299588.db2.gz AYTWNTIJOKRUKI-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000226372780 376355030 /nfs/dbraw/zinc/35/50/30/376355030.db2.gz VAEFNQNTQLEUPY-UONOGXRCSA-N 2 2 287.432 3.276 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226414229 376358111 /nfs/dbraw/zinc/35/81/11/376358111.db2.gz YJEJMCGVHZIAON-GXFFZTMASA-N 2 2 272.314 3.060 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226414229 376358114 /nfs/dbraw/zinc/35/81/14/376358114.db2.gz YJEJMCGVHZIAON-GXFFZTMASA-N 2 2 272.314 3.060 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226434501 376359875 /nfs/dbraw/zinc/35/98/75/376359875.db2.gz YHGIAILCZSBCHS-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226434501 376359878 /nfs/dbraw/zinc/35/98/78/376359878.db2.gz YHGIAILCZSBCHS-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000226570721 376364207 /nfs/dbraw/zinc/36/42/07/376364207.db2.gz PTXMNIWYANCBIU-RYQLBKOJSA-N 2 2 290.451 3.227 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226950201 376376799 /nfs/dbraw/zinc/37/67/99/376376799.db2.gz KACOBVDHMPSIMY-ZNMIVQPWSA-N 2 2 276.449 3.342 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000226950201 376376803 /nfs/dbraw/zinc/37/68/03/376376803.db2.gz KACOBVDHMPSIMY-ZNMIVQPWSA-N 2 2 276.449 3.342 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586138 376440844 /nfs/dbraw/zinc/44/08/44/376440844.db2.gz YZTOJUDKYVFENE-PBHICJAKSA-N 2 2 294.389 3.181 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586138 376440848 /nfs/dbraw/zinc/44/08/48/376440848.db2.gz YZTOJUDKYVFENE-PBHICJAKSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586138 376440853 /nfs/dbraw/zinc/44/08/53/376440853.db2.gz YZTOJUDKYVFENE-PBHICJAKSA-N 2 2 294.389 3.181 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338586138 376440856 /nfs/dbraw/zinc/44/08/56/376440856.db2.gz YZTOJUDKYVFENE-PBHICJAKSA-N 2 2 294.389 3.181 20 0 CGADLP c1ccc2[nH+]c(CCNc3cc[nH+]c4ccccc34)[nH]c2c1 ZINC000338634806 376456881 /nfs/dbraw/zinc/45/68/81/376456881.db2.gz HCRKLSNNVZEWHY-UHFFFAOYSA-N 2 2 288.354 3.188 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000543084457 376605667 /nfs/dbraw/zinc/60/56/67/376605667.db2.gz ZLYUCPBZPGOZAP-OCCSQVGLSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000543084457 376605673 /nfs/dbraw/zinc/60/56/73/376605673.db2.gz ZLYUCPBZPGOZAP-OCCSQVGLSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000235213274 376634471 /nfs/dbraw/zinc/63/44/71/376634471.db2.gz UYKZAUQRXNCKSG-ZWNOBZJWSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000339057745 376653881 /nfs/dbraw/zinc/65/38/81/376653881.db2.gz WSBACNONFLSYKI-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)C1CCCCC1 ZINC000339057745 376653888 /nfs/dbraw/zinc/65/38/88/376653888.db2.gz WSBACNONFLSYKI-HNNXBMFYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000544021264 376695397 /nfs/dbraw/zinc/69/53/97/376695397.db2.gz RZPPMAVXMKFUOE-LBPRGKRZSA-N 2 2 275.421 3.282 20 0 CGADLP COc1ccc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000339186087 376732636 /nfs/dbraw/zinc/73/26/36/376732636.db2.gz SBOXWLGYKYHHGX-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@@H]([NH2+]C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151693531 542102979 /nfs/dbraw/zinc/10/29/79/542102979.db2.gz NTPYVHAYXGBMON-CYBMUJFWSA-N 2 2 255.365 3.466 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272351 376804118 /nfs/dbraw/zinc/80/41/18/376804118.db2.gz WRSWTMWAIQWZJB-FIHXEBHWSA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000545272351 376804131 /nfs/dbraw/zinc/80/41/31/376804131.db2.gz WRSWTMWAIQWZJB-FIHXEBHWSA-N 2 2 284.447 3.179 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000157645210 542135566 /nfs/dbraw/zinc/13/55/66/542135566.db2.gz KFQXUCPGYDPOKO-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000157645210 542135569 /nfs/dbraw/zinc/13/55/69/542135569.db2.gz KFQXUCPGYDPOKO-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC[C@@H]3C)[nH+]c12 ZINC000156330310 542127945 /nfs/dbraw/zinc/12/79/45/542127945.db2.gz LPWXEUKAIMIHPN-BBRMVZONSA-N 2 2 271.408 3.354 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000556873163 376895849 /nfs/dbraw/zinc/89/58/49/376895849.db2.gz VIVAYMIZSJCUTK-IAGOWNOFSA-N 2 2 260.425 3.143 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000556873163 376895850 /nfs/dbraw/zinc/89/58/50/376895850.db2.gz VIVAYMIZSJCUTK-IAGOWNOFSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426075 377051948 /nfs/dbraw/zinc/05/19/48/377051948.db2.gz FBWJKPHUTCYGST-BLLLJJGKSA-N 2 2 294.389 3.371 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426075 377051955 /nfs/dbraw/zinc/05/19/55/377051955.db2.gz FBWJKPHUTCYGST-BLLLJJGKSA-N 2 2 294.389 3.371 20 0 CGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246430706 377030811 /nfs/dbraw/zinc/03/08/11/377030811.db2.gz NXAQQESDNHZGAL-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246430706 377030817 /nfs/dbraw/zinc/03/08/17/377030817.db2.gz NXAQQESDNHZGAL-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000340387944 377031083 /nfs/dbraw/zinc/03/10/83/377031083.db2.gz CMOAOEUAQGATLC-BVUBDWEXSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000340387944 377031090 /nfs/dbraw/zinc/03/10/90/377031090.db2.gz CMOAOEUAQGATLC-BVUBDWEXSA-N 2 2 294.389 3.283 20 0 CGADLP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)c1 ZINC000340418577 377046828 /nfs/dbraw/zinc/04/68/28/377046828.db2.gz IKFCPYXPKRSOPO-GXOAENINSA-N 2 2 299.462 3.214 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH+](C)C ZINC000558257048 376991085 /nfs/dbraw/zinc/99/10/85/376991085.db2.gz LLZYSZKHIOWFKP-ZDUSSCGKSA-N 2 2 289.250 3.466 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340303112 376992909 /nfs/dbraw/zinc/99/29/09/376992909.db2.gz VZKJETVWQPGREO-IIYDPXPESA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340303112 376992920 /nfs/dbraw/zinc/99/29/20/376992920.db2.gz VZKJETVWQPGREO-IIYDPXPESA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259276 377000353 /nfs/dbraw/zinc/00/03/53/377000353.db2.gz YBUWGXQGHFMMOP-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246259276 377000367 /nfs/dbraw/zinc/00/03/67/377000367.db2.gz YBUWGXQGHFMMOP-KBPBESRZSA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000558919869 377054523 /nfs/dbraw/zinc/05/45/23/377054523.db2.gz XSMGZBOEMHQTSC-ROUUACIJSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000558919869 377054525 /nfs/dbraw/zinc/05/45/25/377054525.db2.gz XSMGZBOEMHQTSC-ROUUACIJSA-N 2 2 296.499 3.148 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558975256 377059108 /nfs/dbraw/zinc/05/91/08/377059108.db2.gz MVNABPJOTGHANL-NEWSRXKRSA-N 2 2 284.447 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000558975256 377059115 /nfs/dbraw/zinc/05/91/15/377059115.db2.gz MVNABPJOTGHANL-NEWSRXKRSA-N 2 2 284.447 3.420 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246689740 377071426 /nfs/dbraw/zinc/07/14/26/377071426.db2.gz BNYLYQHDVCYJND-CABCVRRESA-N 2 2 299.418 3.286 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246689740 377071427 /nfs/dbraw/zinc/07/14/27/377071427.db2.gz BNYLYQHDVCYJND-CABCVRRESA-N 2 2 299.418 3.286 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340477846 377090864 /nfs/dbraw/zinc/09/08/64/377090864.db2.gz YGEXVSYODQQYKQ-QLFBSQMISA-N 2 2 293.430 3.239 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1F ZINC000340477846 377090866 /nfs/dbraw/zinc/09/08/66/377090866.db2.gz YGEXVSYODQQYKQ-QLFBSQMISA-N 2 2 293.430 3.239 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000559741982 377097233 /nfs/dbraw/zinc/09/72/33/377097233.db2.gz QELLYFJSNYNJMT-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000559741982 377097242 /nfs/dbraw/zinc/09/72/42/377097242.db2.gz QELLYFJSNYNJMT-HOTGVXAUSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266135 377137468 /nfs/dbraw/zinc/13/74/68/377137468.db2.gz GQGRSBFTDWLGLR-GFCCVEGCSA-N 2 2 275.421 3.002 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)[NH+](C)C ZINC000560522996 377164503 /nfs/dbraw/zinc/16/45/03/377164503.db2.gz QPAUKJWAOJSBNM-ZNMIVQPWSA-N 2 2 258.425 3.081 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000561353542 377221798 /nfs/dbraw/zinc/22/17/98/377221798.db2.gz GFXNLPXLBBWCRJ-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000561353542 377221803 /nfs/dbraw/zinc/22/18/03/377221803.db2.gz GFXNLPXLBBWCRJ-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000562303409 377293250 /nfs/dbraw/zinc/29/32/50/377293250.db2.gz HNFBAQSUBQGHBL-VYMRPNJYSA-N 2 2 294.483 3.331 20 0 CGADLP CC[NH+](CC)CCN(Cc1c[nH+]cn1C(C)C)CC(C)C ZINC000425327679 284622827 /nfs/dbraw/zinc/62/28/27/284622827.db2.gz PXIZRLQCWGCZMT-UHFFFAOYSA-N 2 2 294.487 3.264 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000162602261 542165570 /nfs/dbraw/zinc/16/55/70/542165570.db2.gz PEAQMPNUSCHEMM-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000162602261 542165573 /nfs/dbraw/zinc/16/55/73/542165573.db2.gz PEAQMPNUSCHEMM-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000094666969 249042070 /nfs/dbraw/zinc/04/20/70/249042070.db2.gz ITLUZIFIVIRMEG-NSHDSACASA-N 2 2 284.363 3.362 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000163686852 542167990 /nfs/dbraw/zinc/16/79/90/542167990.db2.gz PRTZQYNDXPIBGA-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000313264378 249089586 /nfs/dbraw/zinc/08/95/86/249089586.db2.gz FKDOHPKIHDNHMD-UHFFFAOYSA-N 2 2 284.190 3.059 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC000313263260 249089711 /nfs/dbraw/zinc/08/97/11/249089711.db2.gz LPXTXVYUGXVUCN-HNNXBMFYSA-N 2 2 261.413 3.055 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]CC2CCC(C(C)(C)C)CC2)c1 ZINC000313270958 249089870 /nfs/dbraw/zinc/08/98/70/249089870.db2.gz NULQFDPXHSUKJO-UHFFFAOYSA-N 2 2 277.456 3.405 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312598570 249081605 /nfs/dbraw/zinc/08/16/05/249081605.db2.gz JHMROSBHKCLVRY-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312598570 249081607 /nfs/dbraw/zinc/08/16/07/249081607.db2.gz JHMROSBHKCLVRY-VIFPVBQESA-N 2 2 293.263 3.486 20 0 CGADLP CSCCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360953731 249112662 /nfs/dbraw/zinc/11/26/62/249112662.db2.gz BQWAFILVYONEIW-KRWDZBQOSA-N 2 2 294.508 3.486 20 0 CGADLP CSCCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360953731 249112664 /nfs/dbraw/zinc/11/26/64/249112664.db2.gz BQWAFILVYONEIW-KRWDZBQOSA-N 2 2 294.508 3.486 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908407 249127721 /nfs/dbraw/zinc/12/77/21/249127721.db2.gz YLELHQKIOVGURA-RISCZKNCSA-N 2 2 276.355 3.110 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549605 249156187 /nfs/dbraw/zinc/15/61/87/249156187.db2.gz FDUHIVUSXLPLDN-KRWDZBQOSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459549605 249156190 /nfs/dbraw/zinc/15/61/90/249156190.db2.gz FDUHIVUSXLPLDN-KRWDZBQOSA-N 2 2 281.403 3.287 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000515145870 249202309 /nfs/dbraw/zinc/20/23/09/249202309.db2.gz HHVKRVQUCOFWBR-CYBMUJFWSA-N 2 2 289.448 3.392 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000516117350 249226067 /nfs/dbraw/zinc/22/60/67/249226067.db2.gz BICLIMYUCKGWDP-ZFWWWQNUSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000516117350 249226068 /nfs/dbraw/zinc/22/60/68/249226068.db2.gz BICLIMYUCKGWDP-ZFWWWQNUSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000516117350 249226069 /nfs/dbraw/zinc/22/60/69/249226069.db2.gz BICLIMYUCKGWDP-ZFWWWQNUSA-N 2 2 295.496 3.114 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000516117350 249226070 /nfs/dbraw/zinc/22/60/70/249226070.db2.gz BICLIMYUCKGWDP-ZFWWWQNUSA-N 2 2 295.496 3.114 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000516398014 249233238 /nfs/dbraw/zinc/23/32/38/249233238.db2.gz SJIKGABPDOOTGY-AWEZNQCLSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251613485 377590805 /nfs/dbraw/zinc/59/08/05/377590805.db2.gz DOSIVEWJMVTWJR-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251613485 377590809 /nfs/dbraw/zinc/59/08/09/377590809.db2.gz DOSIVEWJMVTWJR-JTNHKYCSSA-N 2 2 297.240 3.179 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000518533425 249282930 /nfs/dbraw/zinc/28/29/30/249282930.db2.gz ZDWDRTJBEISRRG-CABCVRRESA-N 2 2 273.355 3.243 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000518533427 249283098 /nfs/dbraw/zinc/28/30/98/249283098.db2.gz ZDWDRTJBEISRRG-HUUCEWRRSA-N 2 2 273.355 3.243 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1F ZINC000178309125 542196292 /nfs/dbraw/zinc/19/62/92/542196292.db2.gz GHWBPZNPJKIYSV-GFCCVEGCSA-N 2 2 282.428 3.294 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880668 377588866 /nfs/dbraw/zinc/58/88/66/377588866.db2.gz ICOWOSFSLOZDHV-BBWFWOEESA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880668 377588875 /nfs/dbraw/zinc/58/88/75/377588875.db2.gz ICOWOSFSLOZDHV-BBWFWOEESA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880668 377588880 /nfs/dbraw/zinc/58/88/80/377588880.db2.gz ICOWOSFSLOZDHV-BBWFWOEESA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573880668 377588890 /nfs/dbraw/zinc/58/88/90/377588890.db2.gz ICOWOSFSLOZDHV-BBWFWOEESA-N 2 2 276.399 3.445 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252708963 377651906 /nfs/dbraw/zinc/65/19/06/377651906.db2.gz BOQWNUIUWHKKME-HLLBOEOZSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252708963 377651912 /nfs/dbraw/zinc/65/19/12/377651912.db2.gz BOQWNUIUWHKKME-HLLBOEOZSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C[N@@H+]1C1CC1 ZINC000252712001 377654062 /nfs/dbraw/zinc/65/40/62/377654062.db2.gz LFLAJJQXAKGOQJ-PAURTPPISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C[N@H+]1C1CC1 ZINC000252712001 377654070 /nfs/dbraw/zinc/65/40/70/377654070.db2.gz LFLAJJQXAKGOQJ-PAURTPPISA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342668603 377722698 /nfs/dbraw/zinc/72/26/98/377722698.db2.gz OPTXKHNKDNAKGB-HYVNUMGLSA-N 2 2 299.418 3.107 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000342674316 377726605 /nfs/dbraw/zinc/72/66/05/377726605.db2.gz TXGSCBAVNZQWMG-DTDBQYNISA-N 2 2 299.418 3.062 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000342719317 377753266 /nfs/dbraw/zinc/75/32/66/377753266.db2.gz ASVLNYUCDBUFJW-BNICSPFPSA-N 2 2 258.409 3.210 20 0 CGADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000342719317 377753277 /nfs/dbraw/zinc/75/32/77/377753277.db2.gz ASVLNYUCDBUFJW-BNICSPFPSA-N 2 2 258.409 3.210 20 0 CGADLP C[NH+](C)C1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000255690009 377775123 /nfs/dbraw/zinc/77/51/23/377775123.db2.gz HOJIVWIUCIJCOE-ARJAWSKDSA-N 2 2 278.827 3.379 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261559189 377815400 /nfs/dbraw/zinc/81/54/00/377815400.db2.gz DOZZYJMIJVDBNM-MNOVXSKESA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261559189 377815405 /nfs/dbraw/zinc/81/54/05/377815405.db2.gz DOZZYJMIJVDBNM-MNOVXSKESA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923063 377866752 /nfs/dbraw/zinc/86/67/52/377866752.db2.gz KTMDAIJLHLZZEI-JGVFFNPUSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000261923063 377866757 /nfs/dbraw/zinc/86/67/57/377866757.db2.gz KTMDAIJLHLZZEI-JGVFFNPUSA-N 2 2 279.236 3.224 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)s2)C[C@H]1[NH3+] ZINC000261930190 377869606 /nfs/dbraw/zinc/86/96/06/377869606.db2.gz CSCSTVMZRDIVQT-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)s2)C[C@H]1[NH3+] ZINC000261930190 377869609 /nfs/dbraw/zinc/86/96/09/377869609.db2.gz CSCSTVMZRDIVQT-XHDPSFHLSA-N 2 2 290.407 3.333 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261981140 377875794 /nfs/dbraw/zinc/87/57/94/377875794.db2.gz RJRRQFKUVZBSNQ-OAHLLOKOSA-N 2 2 286.350 3.151 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000261981140 377875800 /nfs/dbraw/zinc/87/58/00/377875800.db2.gz RJRRQFKUVZBSNQ-OAHLLOKOSA-N 2 2 286.350 3.151 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009218 377877466 /nfs/dbraw/zinc/87/74/66/377877466.db2.gz MCUQPJPZYUNNPH-SJORKVTESA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009218 377877472 /nfs/dbraw/zinc/87/74/72/377877472.db2.gz MCUQPJPZYUNNPH-SJORKVTESA-N 2 2 294.389 3.004 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261855774 377861526 /nfs/dbraw/zinc/86/15/26/377861526.db2.gz TZHQCQDZIAJAJB-BBRMVZONSA-N 2 2 296.817 3.210 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261855774 377861530 /nfs/dbraw/zinc/86/15/30/377861530.db2.gz TZHQCQDZIAJAJB-BBRMVZONSA-N 2 2 296.817 3.210 20 0 CGADLP CC(C)[C@H](C[NH2+]Cc1cc[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000343091254 377899742 /nfs/dbraw/zinc/89/97/42/377899742.db2.gz LJECTKVDNQBFMD-IBGZPJMESA-N 2 2 297.446 3.187 20 0 CGADLP CC(C)[C@H](C[NH2+]Cc1cc[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000343091254 377899747 /nfs/dbraw/zinc/89/97/47/377899747.db2.gz LJECTKVDNQBFMD-IBGZPJMESA-N 2 2 297.446 3.187 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100726 377903436 /nfs/dbraw/zinc/90/34/36/377903436.db2.gz GEKOFEDRRXAASR-ABAIWWIYSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000343537344 378012265 /nfs/dbraw/zinc/01/22/65/378012265.db2.gz MOOCIHLKTAQFOH-XOKHGSTOSA-N 2 2 290.476 3.262 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000578051023 378033868 /nfs/dbraw/zinc/03/38/68/378033868.db2.gz SFOPNKVUQRSFIL-INIZCTEOSA-N 2 2 272.436 3.035 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000578051023 378033873 /nfs/dbraw/zinc/03/38/73/378033873.db2.gz SFOPNKVUQRSFIL-INIZCTEOSA-N 2 2 272.436 3.035 20 0 CGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H](C)O ZINC000578232068 378048528 /nfs/dbraw/zinc/04/85/28/378048528.db2.gz GWBWTSPIXNMRTM-PMPSAXMXSA-N 2 2 290.451 3.009 20 0 CGADLP c1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2s1 ZINC000266388657 378020290 /nfs/dbraw/zinc/02/02/90/378020290.db2.gz NVRQHPQHPOCWFH-CYBMUJFWSA-N 2 2 287.432 3.361 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000578679197 378092099 /nfs/dbraw/zinc/09/20/99/378092099.db2.gz DXMYGYBFFCXXHO-KSSFIOAISA-N 2 2 290.451 3.466 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344008851 378152847 /nfs/dbraw/zinc/15/28/47/378152847.db2.gz ZMUZTWQUDLATQU-OIISXLGYSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344008851 378152852 /nfs/dbraw/zinc/15/28/52/378152852.db2.gz ZMUZTWQUDLATQU-OIISXLGYSA-N 2 2 260.425 3.285 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000344113769 378159503 /nfs/dbraw/zinc/15/95/03/378159503.db2.gz MOZGQMMFXVSJHC-SQNIBIBYSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000344113769 378159508 /nfs/dbraw/zinc/15/95/08/378159508.db2.gz MOZGQMMFXVSJHC-SQNIBIBYSA-N 2 2 288.410 3.420 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCCCCC1 ZINC000579448811 378160985 /nfs/dbraw/zinc/16/09/85/378160985.db2.gz AHKXFEUDEVTMBC-UHFFFAOYSA-N 2 2 298.434 3.218 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CS1 ZINC000580309604 378239795 /nfs/dbraw/zinc/23/97/95/378239795.db2.gz VTLLVFSYSOFXRG-IMJJTQAJSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CS1 ZINC000580309604 378239801 /nfs/dbraw/zinc/23/98/01/378239801.db2.gz VTLLVFSYSOFXRG-IMJJTQAJSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000583525729 378328212 /nfs/dbraw/zinc/32/82/12/378328212.db2.gz ZWVPHDRIVSWQKU-QLFBSQMISA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000583525729 378328218 /nfs/dbraw/zinc/32/82/18/378328218.db2.gz ZWVPHDRIVSWQKU-QLFBSQMISA-N 2 2 252.446 3.418 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CC2)Cc1ccccc1 ZINC000583511335 378328443 /nfs/dbraw/zinc/32/84/43/378328443.db2.gz ZHBVYKSDXWLICL-IAGOWNOFSA-N 2 2 272.436 3.082 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCF ZINC000270322199 378334215 /nfs/dbraw/zinc/33/42/15/378334215.db2.gz KIIWICFEKZQOME-CQSZACIVSA-N 2 2 275.371 3.169 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCF ZINC000270322199 378334218 /nfs/dbraw/zinc/33/42/18/378334218.db2.gz KIIWICFEKZQOME-CQSZACIVSA-N 2 2 275.371 3.169 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)[nH]1 ZINC000270335884 378337693 /nfs/dbraw/zinc/33/76/93/378337693.db2.gz NABHESOECBQZEU-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3csc(C4CC4)n3)C2)[nH]1 ZINC000270335884 378337696 /nfs/dbraw/zinc/33/76/96/378337696.db2.gz NABHESOECBQZEU-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000270854920 378406270 /nfs/dbraw/zinc/40/62/70/378406270.db2.gz IXPOBZFGCZLJFU-YJBOKZPZSA-N 2 2 283.419 3.145 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000270854920 378406275 /nfs/dbraw/zinc/40/62/75/378406275.db2.gz IXPOBZFGCZLJFU-YJBOKZPZSA-N 2 2 283.419 3.145 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270946220 378416813 /nfs/dbraw/zinc/41/68/13/378416813.db2.gz ZOHMLCJOVFQSHI-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270946220 378416819 /nfs/dbraw/zinc/41/68/19/378416819.db2.gz ZOHMLCJOVFQSHI-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CCC3CC3)n2c1 ZINC000345811091 378375943 /nfs/dbraw/zinc/37/59/43/378375943.db2.gz DNAJRPQHXDMWLS-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C1CCCCC1 ZINC000584517226 378390720 /nfs/dbraw/zinc/39/07/20/378390720.db2.gz BBQGRUKWBWTDNI-CQSZACIVSA-N 2 2 279.453 3.018 20 0 CGADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000346142013 378477902 /nfs/dbraw/zinc/47/79/02/378477902.db2.gz OCWYOMCOKDDEHA-UHFFFAOYSA-N 2 2 293.436 3.038 20 0 CGADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000346142013 378477904 /nfs/dbraw/zinc/47/79/04/378477904.db2.gz OCWYOMCOKDDEHA-UHFFFAOYSA-N 2 2 293.436 3.038 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000346167422 378488630 /nfs/dbraw/zinc/48/86/30/378488630.db2.gz KHOLWEMJLHELAU-OLZOCXBDSA-N 2 2 275.421 3.412 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000346167422 378488633 /nfs/dbraw/zinc/48/86/33/378488633.db2.gz KHOLWEMJLHELAU-OLZOCXBDSA-N 2 2 275.421 3.412 20 0 CGADLP CC1(C)CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346191960 378498410 /nfs/dbraw/zinc/49/84/10/378498410.db2.gz WSNNEYXKTLXBSW-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP CC1(C)CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346191960 378498415 /nfs/dbraw/zinc/49/84/15/378498415.db2.gz WSNNEYXKTLXBSW-UHFFFAOYSA-N 2 2 261.394 3.308 20 0 CGADLP CC(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000346317203 378541156 /nfs/dbraw/zinc/54/11/56/378541156.db2.gz VLWQXUYPOVNKMX-UHFFFAOYSA-N 2 2 275.371 3.180 20 0 CGADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000346317203 378541161 /nfs/dbraw/zinc/54/11/61/378541161.db2.gz VLWQXUYPOVNKMX-UHFFFAOYSA-N 2 2 275.371 3.180 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC000346316502 378542059 /nfs/dbraw/zinc/54/20/59/378542059.db2.gz AHGNPKOOSZEAQB-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC000346316502 378542065 /nfs/dbraw/zinc/54/20/65/378542065.db2.gz AHGNPKOOSZEAQB-ZDUSSCGKSA-N 2 2 257.381 3.202 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H]2c2ccsc2)c[nH+]1 ZINC000272024323 378547313 /nfs/dbraw/zinc/54/73/13/378547313.db2.gz VPGXPGUUGKNKIO-CQSZACIVSA-N 2 2 261.394 3.172 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H]2c2ccsc2)c[nH+]1 ZINC000272024323 378547325 /nfs/dbraw/zinc/54/73/25/378547325.db2.gz VPGXPGUUGKNKIO-CQSZACIVSA-N 2 2 261.394 3.172 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000638018849 378671475 /nfs/dbraw/zinc/67/14/75/378671475.db2.gz VFFNSEQQFQGMHM-HNNXBMFYSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000638018849 378671478 /nfs/dbraw/zinc/67/14/78/378671478.db2.gz VFFNSEQQFQGMHM-HNNXBMFYSA-N 2 2 275.421 3.399 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cccc4ncccc34)CC2)[nH+]1 ZINC000638087156 378691512 /nfs/dbraw/zinc/69/15/12/378691512.db2.gz NTNMCNMENDDKPS-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cc1cnc([C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C2CC2)s1 ZINC000347943865 378736309 /nfs/dbraw/zinc/73/63/09/378736309.db2.gz BNRMKLGXMFZAIP-LSDHHAIUSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1cnc([C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C2CC2)s1 ZINC000347943865 378736313 /nfs/dbraw/zinc/73/63/13/378736313.db2.gz BNRMKLGXMFZAIP-LSDHHAIUSA-N 2 2 293.480 3.367 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638288566 378757952 /nfs/dbraw/zinc/75/79/52/378757952.db2.gz UFXGKKSSMMJDTH-MAZHCROVSA-N 2 2 296.405 3.485 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347923585 378729893 /nfs/dbraw/zinc/72/98/93/378729893.db2.gz OLIDAPHDOYAWDH-SJORKVTESA-N 3 2 289.467 3.175 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000347923585 378729900 /nfs/dbraw/zinc/72/99/00/378729900.db2.gz OLIDAPHDOYAWDH-SJORKVTESA-N 3 2 289.467 3.175 20 0 CGADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC000638310532 378766126 /nfs/dbraw/zinc/76/61/26/378766126.db2.gz YXNGWCGKRFXRSM-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000638358286 378776503 /nfs/dbraw/zinc/77/65/03/378776503.db2.gz BFFHBRVUCUEHLL-ARFHVFGLSA-N 2 2 261.413 3.386 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000348090149 378785512 /nfs/dbraw/zinc/78/55/12/378785512.db2.gz WSURXCWWXAWDIK-SFHVURJKSA-N 2 2 284.403 3.036 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638297312 378760002 /nfs/dbraw/zinc/76/00/02/378760002.db2.gz AVHCVMQEGZYHIR-AAEUAGOBSA-N 2 2 293.361 3.368 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CC1(F)F ZINC000638441880 378803935 /nfs/dbraw/zinc/80/39/35/378803935.db2.gz KJMVPLQIXCHGKV-WDEREUQCSA-N 2 2 279.334 3.129 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(OC(F)F)c1 ZINC000346807819 218020881 /nfs/dbraw/zinc/02/08/81/218020881.db2.gz MNIFUNYLRYIUEL-HUBLWGQQSA-N 2 2 298.377 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(OC(F)F)c1 ZINC000346807819 218020883 /nfs/dbraw/zinc/02/08/83/218020883.db2.gz MNIFUNYLRYIUEL-HUBLWGQQSA-N 2 2 298.377 3.421 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000348227552 378849279 /nfs/dbraw/zinc/84/92/79/378849279.db2.gz FFUGHTLLNGGJKK-MRXNPFEDSA-N 2 2 286.350 3.185 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC1(F)F ZINC000638637004 378859842 /nfs/dbraw/zinc/85/98/42/378859842.db2.gz KYDVPASOMFBGAM-CWRNSKLLSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC1(F)F ZINC000638637004 378859846 /nfs/dbraw/zinc/85/98/46/378859846.db2.gz KYDVPASOMFBGAM-CWRNSKLLSA-N 2 2 294.389 3.284 20 0 CGADLP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)sn1 ZINC000638735934 378893252 /nfs/dbraw/zinc/89/32/52/378893252.db2.gz QIABPMJTDOXSQZ-UHFFFAOYSA-N 2 2 269.458 3.050 20 0 CGADLP COCCCC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000274858844 378907092 /nfs/dbraw/zinc/90/70/92/378907092.db2.gz RLNYBCLGYNZLOZ-GOSISDBHSA-N 2 2 292.467 3.159 20 0 CGADLP COCCCC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000274858844 378907099 /nfs/dbraw/zinc/90/70/99/378907099.db2.gz RLNYBCLGYNZLOZ-GOSISDBHSA-N 2 2 292.467 3.159 20 0 CGADLP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)[NH+]1CCCCC1 ZINC000639038165 378973728 /nfs/dbraw/zinc/97/37/28/378973728.db2.gz QNNFKHILGIHHBR-CQSZACIVSA-N 2 2 287.407 3.182 20 0 CGADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000276277826 378962656 /nfs/dbraw/zinc/96/26/56/378962656.db2.gz YWSGDRHHHJENNR-LBPRGKRZSA-N 2 2 297.324 3.497 20 0 CGADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000276277826 378962660 /nfs/dbraw/zinc/96/26/60/378962660.db2.gz YWSGDRHHHJENNR-LBPRGKRZSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347082566 218115133 /nfs/dbraw/zinc/11/51/33/218115133.db2.gz ZNFKDPFBIHTBRR-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347082566 218115136 /nfs/dbraw/zinc/11/51/36/218115136.db2.gz ZNFKDPFBIHTBRR-DNVCBOLYSA-N 2 2 295.430 3.308 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347097906 218121254 /nfs/dbraw/zinc/12/12/54/218121254.db2.gz TZKXPHONRLUAFZ-INIZCTEOSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347097906 218121255 /nfs/dbraw/zinc/12/12/55/218121255.db2.gz TZKXPHONRLUAFZ-INIZCTEOSA-N 2 2 288.778 3.388 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCCCC[C@H]2C[C@H](C)O)c[nH+]1 ZINC000348553060 378991096 /nfs/dbraw/zinc/99/10/96/378991096.db2.gz WPRCJZGNFOHLAU-WMZOPIPTSA-N 2 2 290.451 3.338 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c[nH+]1 ZINC000348553060 378991099 /nfs/dbraw/zinc/99/10/99/378991099.db2.gz WPRCJZGNFOHLAU-WMZOPIPTSA-N 2 2 290.451 3.338 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306989 379005283 /nfs/dbraw/zinc/00/52/83/379005283.db2.gz XZFQRCQGZVSEGW-OAHLLOKOSA-N 2 2 275.440 3.445 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370306989 379005290 /nfs/dbraw/zinc/00/52/90/379005290.db2.gz XZFQRCQGZVSEGW-OAHLLOKOSA-N 2 2 275.440 3.445 20 0 CGADLP COc1ccc2cc(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000347199350 218152811 /nfs/dbraw/zinc/15/28/11/218152811.db2.gz JCSVERXJCOVXRF-GOSISDBHSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2cc(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000347199350 218152812 /nfs/dbraw/zinc/15/28/12/218152812.db2.gz JCSVERXJCOVXRF-GOSISDBHSA-N 2 2 296.414 3.175 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000639089778 379011682 /nfs/dbraw/zinc/01/16/82/379011682.db2.gz FFAWGIRNBSTNKS-ZTFGCOKTSA-N 2 2 290.451 3.001 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370683764 379054342 /nfs/dbraw/zinc/05/43/42/379054342.db2.gz ZPIIZZUWUJOGGP-LSDHHAIUSA-N 2 2 299.418 3.428 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000277070871 379060694 /nfs/dbraw/zinc/06/06/94/379060694.db2.gz DRCGQPGLBZYBHB-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000277070871 379060700 /nfs/dbraw/zinc/06/07/00/379060700.db2.gz DRCGQPGLBZYBHB-INIZCTEOSA-N 2 2 299.418 3.258 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000639199468 379123424 /nfs/dbraw/zinc/12/34/24/379123424.db2.gz XEMQZBKDBXKCHF-SUMWQHHRSA-N 2 2 298.434 3.384 20 0 CGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000639199468 379123428 /nfs/dbraw/zinc/12/34/28/379123428.db2.gz XEMQZBKDBXKCHF-SUMWQHHRSA-N 2 2 298.434 3.384 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000371309604 379136500 /nfs/dbraw/zinc/13/65/00/379136500.db2.gz YXBMBKNSEPPMOF-MRXNPFEDSA-N 2 2 267.376 3.104 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000371309604 379136503 /nfs/dbraw/zinc/13/65/03/379136503.db2.gz YXBMBKNSEPPMOF-MRXNPFEDSA-N 2 2 267.376 3.104 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3C(C)(C)C3(C)C)n2c1 ZINC000349124005 379164628 /nfs/dbraw/zinc/16/46/28/379164628.db2.gz AMXZFARDXWPLPI-UHFFFAOYSA-N 2 2 257.381 3.167 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135289 379166944 /nfs/dbraw/zinc/16/69/44/379166944.db2.gz YHADLFRIFCLNRZ-AEFFLSMTSA-N 2 2 297.446 3.478 20 0 CGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349135289 379166953 /nfs/dbraw/zinc/16/69/53/379166953.db2.gz YHADLFRIFCLNRZ-AEFFLSMTSA-N 2 2 297.446 3.478 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000349203206 379189387 /nfs/dbraw/zinc/18/93/87/379189387.db2.gz SLSCGNXSHUPATN-YCPHGPKFSA-N 2 2 269.392 3.418 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000278787731 194155381 /nfs/dbraw/zinc/15/53/81/194155381.db2.gz PZRHPFRJSROOOI-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000278787731 194155384 /nfs/dbraw/zinc/15/53/84/194155384.db2.gz PZRHPFRJSROOOI-NVXWUHKLSA-N 2 2 267.376 3.247 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349345908 379240567 /nfs/dbraw/zinc/24/05/67/379240567.db2.gz JSAFIVADPJHHNR-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349345908 379240571 /nfs/dbraw/zinc/24/05/71/379240571.db2.gz JSAFIVADPJHHNR-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(F)c1 ZINC000349416138 379272463 /nfs/dbraw/zinc/27/24/63/379272463.db2.gz JRYCALUQXXMKJC-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(F)c1 ZINC000349416138 379272470 /nfs/dbraw/zinc/27/24/70/379272470.db2.gz JRYCALUQXXMKJC-UHFFFAOYSA-N 2 2 272.795 3.253 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1C(C)(C)C ZINC000349412966 379273995 /nfs/dbraw/zinc/27/39/95/379273995.db2.gz ZIVISQWWLHKPLA-UHFFFAOYSA-N 2 2 292.471 3.015 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1C(C)(C)C ZINC000349412966 379273999 /nfs/dbraw/zinc/27/39/99/379273999.db2.gz ZIVISQWWLHKPLA-UHFFFAOYSA-N 2 2 292.471 3.015 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278893390 194200515 /nfs/dbraw/zinc/20/05/15/194200515.db2.gz YSFVJSZNXLLMBT-GOSISDBHSA-N 2 2 281.403 3.469 20 0 CGADLP CCc1ncc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000639374113 379329169 /nfs/dbraw/zinc/32/91/69/379329169.db2.gz ATFVZIMHXPVFBR-UHFFFAOYSA-N 2 2 293.480 3.156 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000639374222 379329806 /nfs/dbraw/zinc/32/98/06/379329806.db2.gz DSRKFSIUBQSDJR-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2ccccc2F)CC1 ZINC000639379070 379337194 /nfs/dbraw/zinc/33/71/94/379337194.db2.gz MQBXFWLXHTXGJE-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000278646840 379403186 /nfs/dbraw/zinc/40/31/86/379403186.db2.gz LXDPVMABTCMRJQ-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000278646840 379403192 /nfs/dbraw/zinc/40/31/92/379403192.db2.gz LXDPVMABTCMRJQ-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347629579 218297111 /nfs/dbraw/zinc/29/71/11/218297111.db2.gz CBGNRLCYIDNDQC-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347629579 218297113 /nfs/dbraw/zinc/29/71/13/218297113.db2.gz CBGNRLCYIDNDQC-UHFFFAOYSA-N 2 2 289.448 3.145 20 0 CGADLP CC(C)Oc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376714272 379595333 /nfs/dbraw/zinc/59/53/33/379595333.db2.gz CSUUNFQLWHDWRM-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(O)c1 ZINC000377398719 379672051 /nfs/dbraw/zinc/67/20/51/379672051.db2.gz JYLIKVXQSUAETN-IUDNXUCKSA-N 2 2 274.408 3.060 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CCOCC2CCCC2)CC1 ZINC000639983159 379674563 /nfs/dbraw/zinc/67/45/63/379674563.db2.gz CRBIQMYUQZPPFX-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000377412518 379677920 /nfs/dbraw/zinc/67/79/20/379677920.db2.gz OCGPRPLFJMLOTH-GUYCJALGSA-N 2 2 284.407 3.039 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000377412518 379677926 /nfs/dbraw/zinc/67/79/26/379677926.db2.gz OCGPRPLFJMLOTH-GUYCJALGSA-N 2 2 284.407 3.039 20 0 CGADLP CCC(=O)CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280330728 379679068 /nfs/dbraw/zinc/67/90/68/379679068.db2.gz ZQWMKCDZGREHGW-UHFFFAOYSA-N 2 2 299.418 3.351 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000377648733 379713614 /nfs/dbraw/zinc/71/36/14/379713614.db2.gz LNQMFKLKEODTRR-LJQANCHMSA-N 2 2 296.414 3.226 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377782595 379739198 /nfs/dbraw/zinc/73/91/98/379739198.db2.gz QDSKIJWQAJOMLU-AWEZNQCLSA-N 2 2 293.370 3.317 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377782595 379739209 /nfs/dbraw/zinc/73/92/09/379739209.db2.gz QDSKIJWQAJOMLU-AWEZNQCLSA-N 2 2 293.370 3.317 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799459 379743677 /nfs/dbraw/zinc/74/36/77/379743677.db2.gz VCKRQYIAUDEYMT-DYVFJYSZSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799459 379743681 /nfs/dbraw/zinc/74/36/81/379743681.db2.gz VCKRQYIAUDEYMT-DYVFJYSZSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000267271931 190316541 /nfs/dbraw/zinc/31/65/41/190316541.db2.gz MPONWTSQCVFKPX-YJBOKZPZSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000267271931 190316542 /nfs/dbraw/zinc/31/65/42/190316542.db2.gz MPONWTSQCVFKPX-YJBOKZPZSA-N 2 2 284.403 3.280 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](CC1CCCCC1)C1CC1 ZINC000347728964 218336984 /nfs/dbraw/zinc/33/69/84/218336984.db2.gz BYGMFJDNYSDPCE-UHFFFAOYSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](CC1CCCCC1)C1CC1 ZINC000347728964 218336986 /nfs/dbraw/zinc/33/69/86/218336986.db2.gz BYGMFJDNYSDPCE-UHFFFAOYSA-N 2 2 261.413 3.007 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000347750966 218343626 /nfs/dbraw/zinc/34/36/26/218343626.db2.gz PZUHKWJTXXUBJI-UHFFFAOYSA-N 2 2 288.435 3.190 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000352504068 379839671 /nfs/dbraw/zinc/83/96/71/379839671.db2.gz MVGAMAVUJVOCGX-LBPRGKRZSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000352504068 379839677 /nfs/dbraw/zinc/83/96/77/379839677.db2.gz MVGAMAVUJVOCGX-LBPRGKRZSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000352535051 379846944 /nfs/dbraw/zinc/84/69/44/379846944.db2.gz LVMKSCMNRHFRNY-SNVBAGLBSA-N 2 2 292.370 3.470 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000352535051 379846953 /nfs/dbraw/zinc/84/69/53/379846953.db2.gz LVMKSCMNRHFRNY-SNVBAGLBSA-N 2 2 292.370 3.470 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCC23CCC3)c[nH+]1 ZINC000282089338 379850772 /nfs/dbraw/zinc/85/07/72/379850772.db2.gz IBWZVMVSXZPDAY-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP FC1(F)CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000281226100 379824082 /nfs/dbraw/zinc/82/40/82/379824082.db2.gz VHKOFJQJKQDHMS-CYBMUJFWSA-N 2 2 295.377 3.075 20 0 CGADLP COC[C@@H](C)C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398078156 379926926 /nfs/dbraw/zinc/92/69/26/379926926.db2.gz ANLVFOMDPMLTLW-WMZOPIPTSA-N 2 2 292.467 3.015 20 0 CGADLP COC[C@@H](C)C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398078156 379926929 /nfs/dbraw/zinc/92/69/29/379926929.db2.gz ANLVFOMDPMLTLW-WMZOPIPTSA-N 2 2 292.467 3.015 20 0 CGADLP C(C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307770 379873903 /nfs/dbraw/zinc/87/39/03/379873903.db2.gz AELUFCDOTMWLDF-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307770 379873920 /nfs/dbraw/zinc/87/39/20/379873920.db2.gz AELUFCDOTMWLDF-CVEARBPZSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3occc3c2)CCC[N@@H+]1C ZINC000352730872 379928235 /nfs/dbraw/zinc/92/82/35/379928235.db2.gz HFRZRWOJMBYSJA-WFASDCNBSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3occc3c2)CCC[N@H+]1C ZINC000352730872 379928243 /nfs/dbraw/zinc/92/82/43/379928243.db2.gz HFRZRWOJMBYSJA-WFASDCNBSA-N 2 2 258.365 3.005 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c3ccccc23)C1 ZINC000389161483 379893405 /nfs/dbraw/zinc/89/34/05/379893405.db2.gz LRSQYCYQRXOSKT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c3ccccc23)C1 ZINC000389161483 379893411 /nfs/dbraw/zinc/89/34/11/379893411.db2.gz LRSQYCYQRXOSKT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000352802132 379970038 /nfs/dbraw/zinc/97/00/38/379970038.db2.gz LPDZQBDOZXLFEZ-XJKSGUPXSA-N 2 2 287.432 3.022 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000352810379 379974116 /nfs/dbraw/zinc/97/41/16/379974116.db2.gz MRMDLVYUTARXKX-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000352810379 379974120 /nfs/dbraw/zinc/97/41/20/379974120.db2.gz MRMDLVYUTARXKX-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000399039840 379933332 /nfs/dbraw/zinc/93/33/32/379933332.db2.gz QTLMCRAGWYZIDU-NQBHXWOUSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC000399027246 379933445 /nfs/dbraw/zinc/93/34/45/379933445.db2.gz HUZHTHQCMQAMCI-XJKSGUPXSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2ccccc2o1 ZINC000398984766 379933485 /nfs/dbraw/zinc/93/34/85/379933485.db2.gz HJFDMWTXBDUBME-BZPMIXESSA-N 2 2 258.365 3.224 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400392529 379949138 /nfs/dbraw/zinc/94/91/38/379949138.db2.gz AUWNHLMQMDVSPZ-ZOWXZIJZSA-N 2 2 264.438 3.200 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000282821006 379996484 /nfs/dbraw/zinc/99/64/84/379996484.db2.gz UEEORGOCBYCKQL-HOTGVXAUSA-N 2 2 264.388 3.441 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)[nH]1 ZINC000352853112 380006018 /nfs/dbraw/zinc/00/60/18/380006018.db2.gz LFSGEXSCDBATNQ-IAGOWNOFSA-N 2 2 281.403 3.393 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000267869148 190359994 /nfs/dbraw/zinc/35/99/94/190359994.db2.gz CCWOILURWPWNNB-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000347912040 218396692 /nfs/dbraw/zinc/39/66/92/218396692.db2.gz LUHPPYFDBILQGC-QZTJIDSGSA-N 2 2 288.435 3.071 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000347912040 218396693 /nfs/dbraw/zinc/39/66/93/218396693.db2.gz LUHPPYFDBILQGC-QZTJIDSGSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805274 380112984 /nfs/dbraw/zinc/11/29/84/380112984.db2.gz FIGZLTHQYPQICT-WOPDTQHZSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805274 380112989 /nfs/dbraw/zinc/11/29/89/380112989.db2.gz FIGZLTHQYPQICT-WOPDTQHZSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@@H]1CC1(C)C ZINC000353114478 380121370 /nfs/dbraw/zinc/12/13/70/380121370.db2.gz BUGBBHNTKVQVQD-JSGCOSHPSA-N 2 2 270.380 3.173 20 0 CGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@H]1CC1(C)C ZINC000353114477 380121792 /nfs/dbraw/zinc/12/17/92/380121792.db2.gz BUGBBHNTKVQVQD-GXTWGEPZSA-N 2 2 270.380 3.173 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCc1cn(C)c[nH+]1)CCCO2 ZINC000414130397 380191409 /nfs/dbraw/zinc/19/14/09/380191409.db2.gz WWSSJTISXZMAAX-KRWDZBQOSA-N 2 2 299.418 3.083 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCNc1cc(C)cc[nH+]1 ZINC000268297872 190393753 /nfs/dbraw/zinc/39/37/53/190393753.db2.gz GFXUOSJBWJQGKF-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000353970680 380257548 /nfs/dbraw/zinc/25/75/48/380257548.db2.gz GEUONIGYQRIHDU-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000353970680 380257554 /nfs/dbraw/zinc/25/75/54/380257554.db2.gz GEUONIGYQRIHDU-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000414479432 380257664 /nfs/dbraw/zinc/25/76/64/380257664.db2.gz AVCLYMZDGUJRGR-RBUKOAKNSA-N 2 2 296.414 3.131 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000414479432 380257670 /nfs/dbraw/zinc/25/76/70/380257670.db2.gz AVCLYMZDGUJRGR-RBUKOAKNSA-N 2 2 296.414 3.131 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000353980185 380262091 /nfs/dbraw/zinc/26/20/91/380262091.db2.gz AEHKWKWORREMOO-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000353980185 380262096 /nfs/dbraw/zinc/26/20/96/380262096.db2.gz AEHKWKWORREMOO-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353987998 380267311 /nfs/dbraw/zinc/26/73/11/380267311.db2.gz SMTSXPRXYDLXID-YQQAZPJKSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1occc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000414441577 380237583 /nfs/dbraw/zinc/23/75/83/380237583.db2.gz FNPMLKWYDRBKIK-UHFFFAOYSA-N 2 2 286.375 3.335 20 0 CGADLP CCc1ccc([C@H](C[NH2+]Cc2cnccc2C)[NH+](C)C)cc1 ZINC000353924415 380237540 /nfs/dbraw/zinc/23/75/40/380237540.db2.gz CEQJOUZIOGQBQO-IBGZPJMESA-N 2 2 297.446 3.345 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000643500979 380322778 /nfs/dbraw/zinc/32/27/78/380322778.db2.gz MLFKOLQKJATHQJ-RYUDHWBXSA-N 2 2 252.427 3.103 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc2ccccc2n1 ZINC000643501684 380325043 /nfs/dbraw/zinc/32/50/43/380325043.db2.gz NZRHSRVTDNSIKY-UKRRQHHQSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000643502538 380326911 /nfs/dbraw/zinc/32/69/11/380326911.db2.gz JMQJQXJWYUQLJN-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507028 380327902 /nfs/dbraw/zinc/32/79/02/380327902.db2.gz QFAGAQFHAPPPGS-KRWDZBQOSA-N 2 2 288.435 3.365 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506239 380328133 /nfs/dbraw/zinc/32/81/33/380328133.db2.gz PIDHCIGPRZYMAH-GFCCVEGCSA-N 2 2 258.365 3.144 20 0 CGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414499712 380275424 /nfs/dbraw/zinc/27/54/24/380275424.db2.gz ZPKZOEJZXANIBH-CHWSQXEVSA-N 2 2 280.416 3.086 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205832 380364289 /nfs/dbraw/zinc/36/42/89/380364289.db2.gz JHUDQXCOMUEEET-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205832 380364295 /nfs/dbraw/zinc/36/42/95/380364295.db2.gz JHUDQXCOMUEEET-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205832 380364303 /nfs/dbraw/zinc/36/43/03/380364303.db2.gz JHUDQXCOMUEEET-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205832 380364309 /nfs/dbraw/zinc/36/43/09/380364309.db2.gz JHUDQXCOMUEEET-CJNGLKHVSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2ccccc2)CC1 ZINC000414683065 380371115 /nfs/dbraw/zinc/37/11/15/380371115.db2.gz SIZHPZLNZRSWSA-UHFFFAOYSA-N 2 2 260.425 3.254 20 0 CGADLP COc1ccc(C[N@H+](C[C@H]([NH3+])CC(C)C)C2CC2)cc1 ZINC000414685183 380373375 /nfs/dbraw/zinc/37/33/75/380373375.db2.gz YHVNUOOBFWHVGI-OAHLLOKOSA-N 2 2 276.424 3.033 20 0 CGADLP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(C)C)C2CC2)cc1 ZINC000414685183 380373379 /nfs/dbraw/zinc/37/33/79/380373379.db2.gz YHVNUOOBFWHVGI-OAHLLOKOSA-N 2 2 276.424 3.033 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccsc3Cl)C2)C1 ZINC000354166538 380351306 /nfs/dbraw/zinc/35/13/06/380351306.db2.gz LVJLCDJVQIJRKE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccsc3Cl)C2)C1 ZINC000354166538 380351310 /nfs/dbraw/zinc/35/13/10/380351310.db2.gz LVJLCDJVQIJRKE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccsc3Cl)C2)C1 ZINC000354166538 380351313 /nfs/dbraw/zinc/35/13/13/380351313.db2.gz LVJLCDJVQIJRKE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccsc3Cl)C2)C1 ZINC000354166538 380351315 /nfs/dbraw/zinc/35/13/15/380351315.db2.gz LVJLCDJVQIJRKE-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc2cc1C ZINC000643537447 380354225 /nfs/dbraw/zinc/35/42/25/380354225.db2.gz IIZHQPVPYXQGTI-SNPRPXQTSA-N 2 2 290.382 3.400 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000414666428 380360621 /nfs/dbraw/zinc/36/06/21/380360621.db2.gz GJAHDDPZSCKFBB-ZDUSSCGKSA-N 2 2 286.366 3.093 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000414666428 380360624 /nfs/dbraw/zinc/36/06/24/380360624.db2.gz GJAHDDPZSCKFBB-ZDUSSCGKSA-N 2 2 286.366 3.093 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354195061 380360849 /nfs/dbraw/zinc/36/08/49/380360849.db2.gz YPJCDHRDTKSGRE-SFHVURJKSA-N 2 2 284.403 3.300 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000414824939 380433520 /nfs/dbraw/zinc/43/35/20/380433520.db2.gz BMFUGWXLIAJVCK-VKJFTORMSA-N 2 2 268.404 3.468 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1sccc1Cl)C1CCCCC1 ZINC000414855348 380457448 /nfs/dbraw/zinc/45/74/48/380457448.db2.gz WUGMUFRRABKYIC-LBPRGKRZSA-N 2 2 272.845 3.399 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCC[C@@H]1C1CC1)c1ccccc1 ZINC000414827104 380435199 /nfs/dbraw/zinc/43/51/99/380435199.db2.gz GNCWATWZCPJAKB-ZACQAIPSSA-N 2 2 258.409 3.245 20 0 CGADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000414826711 380435406 /nfs/dbraw/zinc/43/54/06/380435406.db2.gz GBLJWSUMTRCZCK-HNNXBMFYSA-N 2 2 290.794 3.138 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC000414825965 380435682 /nfs/dbraw/zinc/43/56/82/380435682.db2.gz DKSVWNXFTOBVBE-JEDBISTDSA-N 2 2 280.415 3.468 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414855559 380457583 /nfs/dbraw/zinc/45/75/83/380457583.db2.gz WZYHAVBINOYFFF-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414842880 380447633 /nfs/dbraw/zinc/44/76/33/380447633.db2.gz ZSGUSJNMYBKBHD-QGZVFWFLSA-N 2 2 284.403 3.263 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCc2ccc(O)cc2)c[nH+]1 ZINC000354332542 380402787 /nfs/dbraw/zinc/40/27/87/380402787.db2.gz IIBBBKHWOSLLLW-UHFFFAOYSA-N 2 2 284.403 3.251 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000354330556 380403090 /nfs/dbraw/zinc/40/30/90/380403090.db2.gz ASDIOSPWTVAYBF-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000354330556 380403095 /nfs/dbraw/zinc/40/30/95/380403095.db2.gz ASDIOSPWTVAYBF-QFBILLFUSA-N 2 2 295.430 3.315 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1Cl ZINC000414809558 380422018 /nfs/dbraw/zinc/42/20/18/380422018.db2.gz GWHBCWBBACDQMH-LBPRGKRZSA-N 2 2 258.768 3.086 20 0 CGADLP CC1(C)C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCC[C@@H]21 ZINC000354579315 380493306 /nfs/dbraw/zinc/49/33/06/380493306.db2.gz MQOKHROQQCOPAY-LSDHHAIUSA-N 2 2 269.392 3.345 20 0 CGADLP CC1(C)C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]2CCC[C@@H]21 ZINC000354579315 380493311 /nfs/dbraw/zinc/49/33/11/380493311.db2.gz MQOKHROQQCOPAY-LSDHHAIUSA-N 2 2 269.392 3.345 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000354581890 380493941 /nfs/dbraw/zinc/49/39/41/380493941.db2.gz XUVZOOPPXSHLGP-SFHVURJKSA-N 2 2 281.403 3.459 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)ccc2c1 ZINC000414937288 380496595 /nfs/dbraw/zinc/49/65/95/380496595.db2.gz DHKZNAWCNHZXST-FZKQIMNGSA-N 2 2 284.403 3.079 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354498409 380459601 /nfs/dbraw/zinc/45/96/01/380459601.db2.gz JOHJYCMFNVYJMU-GFCCVEGCSA-N 2 2 287.407 3.321 20 0 CGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861419 380461225 /nfs/dbraw/zinc/46/12/25/380461225.db2.gz FJCPMRNMJZMFJM-WDEREUQCSA-N 2 2 287.234 3.266 20 0 CGADLP Cc1ccc(CCC[NH2+]C2(C)Cc3ccccc3C2)c[nH+]1 ZINC000354550436 380481357 /nfs/dbraw/zinc/48/13/57/380481357.db2.gz ONGLLVTYLZPITI-UHFFFAOYSA-N 2 2 280.415 3.470 20 0 CGADLP C[C@@H](CF)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000644890807 380539251 /nfs/dbraw/zinc/53/92/51/380539251.db2.gz LDIIKJQAJZDMJQ-LBPRGKRZSA-N 2 2 284.806 3.252 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000355112886 380580499 /nfs/dbraw/zinc/58/04/99/380580499.db2.gz DTTAELZJQKREOP-LBPRGKRZSA-N 2 2 293.480 3.155 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1C ZINC000355127748 380586828 /nfs/dbraw/zinc/58/68/28/380586828.db2.gz BGZSFMNAHAIEDZ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1C ZINC000355127748 380586832 /nfs/dbraw/zinc/58/68/32/380586832.db2.gz BGZSFMNAHAIEDZ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1C ZINC000355127748 380586834 /nfs/dbraw/zinc/58/68/34/380586834.db2.gz BGZSFMNAHAIEDZ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1C ZINC000355127748 380586838 /nfs/dbraw/zinc/58/68/38/380586838.db2.gz BGZSFMNAHAIEDZ-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148934 380598779 /nfs/dbraw/zinc/59/87/79/380598779.db2.gz JMNDUWQHNMNYQP-ZFWWWQNUSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148934 380598788 /nfs/dbraw/zinc/59/87/88/380598788.db2.gz JMNDUWQHNMNYQP-ZFWWWQNUSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148931 380599172 /nfs/dbraw/zinc/59/91/72/380599172.db2.gz JMNDUWQHNMNYQP-HIFRSBDPSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000355148931 380599176 /nfs/dbraw/zinc/59/91/76/380599176.db2.gz JMNDUWQHNMNYQP-HIFRSBDPSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000645170756 380603576 /nfs/dbraw/zinc/60/35/76/380603576.db2.gz NQDJYPHFXSLFSX-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000417355921 380605496 /nfs/dbraw/zinc/60/54/96/380605496.db2.gz ORWXYHYBIOPAFO-CVEARBPZSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1[nH]c2nc[nH+]c(NCc3[nH+]ccn3CC(C)C)c2c1C ZINC000645178709 380606019 /nfs/dbraw/zinc/60/60/19/380606019.db2.gz VUYXQSCHEKMBGA-UHFFFAOYSA-N 2 2 298.394 3.039 20 0 CGADLP FC(F)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000355163456 380606097 /nfs/dbraw/zinc/60/60/97/380606097.db2.gz YCWYEPUUGDISMO-UHFFFAOYSA-N 2 2 277.318 3.007 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000417677838 380665300 /nfs/dbraw/zinc/66/53/00/380665300.db2.gz AWNQYHQQKCOCCR-CYBMUJFWSA-N 2 2 261.394 3.302 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000417677838 380665304 /nfs/dbraw/zinc/66/53/04/380665304.db2.gz AWNQYHQQKCOCCR-CYBMUJFWSA-N 2 2 261.394 3.302 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC[C@H](C)C3)n2c1 ZINC000355592724 380721294 /nfs/dbraw/zinc/72/12/94/380721294.db2.gz BJVJQRAANSWOHR-GXTWGEPZSA-N 2 2 257.381 3.169 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000645778722 380727765 /nfs/dbraw/zinc/72/77/65/380727765.db2.gz WGFJXHZJKQDZAK-UHFFFAOYSA-N 2 2 284.403 3.463 20 0 CGADLP CCO[C@H]1C[C@@H]([N@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815857 380741220 /nfs/dbraw/zinc/74/12/20/380741220.db2.gz XRQNYXSOTWOVBT-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP CCO[C@H]1C[C@@H]([N@@H+](C)CCc2cc[nH+]cc2C)C12CCC2 ZINC000645815857 380741223 /nfs/dbraw/zinc/74/12/23/380741223.db2.gz XRQNYXSOTWOVBT-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP C[C@H](C[NH2+]CC1(C)CCCCCC1)Cn1cc[nH+]c1 ZINC000355665337 380743420 /nfs/dbraw/zinc/74/34/20/380743420.db2.gz HINBQLLUMNBMCG-OAHLLOKOSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000356667988 380816654 /nfs/dbraw/zinc/81/66/54/380816654.db2.gz BWCQOPCBEVIWSV-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000420292297 380845599 /nfs/dbraw/zinc/84/55/99/380845599.db2.gz PCYAQIQLTKSLPO-VYDXJSESSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000420292297 380845602 /nfs/dbraw/zinc/84/56/02/380845602.db2.gz PCYAQIQLTKSLPO-VYDXJSESSA-N 2 2 274.383 3.029 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] ZINC000420327828 380849502 /nfs/dbraw/zinc/84/95/02/380849502.db2.gz ZGVBLPWVNPKGCR-AAEUAGOBSA-N 2 2 289.448 3.459 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H](C)[NH3+] ZINC000420327828 380849506 /nfs/dbraw/zinc/84/95/06/380849506.db2.gz ZGVBLPWVNPKGCR-AAEUAGOBSA-N 2 2 289.448 3.459 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340928 380882099 /nfs/dbraw/zinc/88/20/99/380882099.db2.gz JCLWBKDESPBOAT-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340928 380882105 /nfs/dbraw/zinc/88/21/05/380882105.db2.gz JCLWBKDESPBOAT-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340928 380882110 /nfs/dbraw/zinc/88/21/10/380882110.db2.gz JCLWBKDESPBOAT-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)[C@H]2C1 ZINC000421340928 380882117 /nfs/dbraw/zinc/88/21/17/380882117.db2.gz JCLWBKDESPBOAT-WMZOPIPTSA-N 2 2 270.420 3.090 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1Cl ZINC000356970700 380963615 /nfs/dbraw/zinc/96/36/15/380963615.db2.gz BZRNHUFDFYZCSV-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1Cl ZINC000356970700 380963627 /nfs/dbraw/zinc/96/36/27/380963627.db2.gz BZRNHUFDFYZCSV-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1Cl ZINC000356970700 380963632 /nfs/dbraw/zinc/96/36/32/380963632.db2.gz BZRNHUFDFYZCSV-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1Cl ZINC000356970700 380963639 /nfs/dbraw/zinc/96/36/39/380963639.db2.gz BZRNHUFDFYZCSV-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000357348943 381121517 /nfs/dbraw/zinc/12/15/17/381121517.db2.gz HSOOTNKOGJFVKW-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357348943 381121521 /nfs/dbraw/zinc/12/15/21/381121521.db2.gz HSOOTNKOGJFVKW-DOTOQJQBSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)C[N@@H+]1C1CC1 ZINC000357788499 381283660 /nfs/dbraw/zinc/28/36/60/381283660.db2.gz MAKWAMONZYPOQA-HLLBOEOZSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)C[N@H+]1C1CC1 ZINC000357788499 381283666 /nfs/dbraw/zinc/28/36/66/381283666.db2.gz MAKWAMONZYPOQA-HLLBOEOZSA-N 2 2 292.467 3.083 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000359084785 381335396 /nfs/dbraw/zinc/33/53/96/381335396.db2.gz IAYOWNUVWRXNGL-SQWLQELKSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000359084785 381335400 /nfs/dbraw/zinc/33/54/00/381335400.db2.gz IAYOWNUVWRXNGL-SQWLQELKSA-N 2 2 250.430 3.051 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000360009703 381408337 /nfs/dbraw/zinc/40/83/37/381408337.db2.gz ATBYXCGSYRYNGW-FMKPAKJESA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000360009703 381408343 /nfs/dbraw/zinc/40/83/43/381408343.db2.gz ATBYXCGSYRYNGW-FMKPAKJESA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC000360009706 381408426 /nfs/dbraw/zinc/40/84/26/381408426.db2.gz ATBYXCGSYRYNGW-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC000360009706 381408433 /nfs/dbraw/zinc/40/84/33/381408433.db2.gz ATBYXCGSYRYNGW-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000360009706 381408438 /nfs/dbraw/zinc/40/84/38/381408438.db2.gz ATBYXCGSYRYNGW-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000360009706 381408446 /nfs/dbraw/zinc/40/84/46/381408446.db2.gz ATBYXCGSYRYNGW-LZWOXQAQSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761472 542284788 /nfs/dbraw/zinc/28/47/88/542284788.db2.gz YMHRZYRHJWTXOR-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(F)c1 ZINC000212761472 542284791 /nfs/dbraw/zinc/28/47/91/542284791.db2.gz YMHRZYRHJWTXOR-CMPLNLGQSA-N 2 2 270.779 3.224 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC)c1 ZINC000359944935 381382178 /nfs/dbraw/zinc/38/21/78/381382178.db2.gz VUCFCCZDQUQPSU-RCCFBDPRSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC)c1 ZINC000359944935 381382186 /nfs/dbraw/zinc/38/21/86/381382186.db2.gz VUCFCCZDQUQPSU-RCCFBDPRSA-N 2 2 288.435 3.363 20 0 CGADLP Clc1sccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000359960156 381389922 /nfs/dbraw/zinc/38/99/22/381389922.db2.gz XHRFCEQWATVXQZ-UHFFFAOYSA-N 2 2 284.856 3.366 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361456637 381753888 /nfs/dbraw/zinc/75/38/88/381753888.db2.gz MCTDHLXDWXDHRJ-YPMHNXCESA-N 2 2 278.362 3.181 20 0 CGADLP COC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361527315 381786733 /nfs/dbraw/zinc/78/67/33/381786733.db2.gz GLNCTMIREVGWDR-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000361586014 381820322 /nfs/dbraw/zinc/82/03/22/381820322.db2.gz KNTPUPHZMKMNLO-QGZVFWFLSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000361586014 381820329 /nfs/dbraw/zinc/82/03/29/381820329.db2.gz KNTPUPHZMKMNLO-QGZVFWFLSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000361586014 381820333 /nfs/dbraw/zinc/82/03/33/381820333.db2.gz KNTPUPHZMKMNLO-QGZVFWFLSA-N 2 2 258.409 3.185 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000361586014 381820341 /nfs/dbraw/zinc/82/03/41/381820341.db2.gz KNTPUPHZMKMNLO-QGZVFWFLSA-N 2 2 258.409 3.185 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522232 382033637 /nfs/dbraw/zinc/03/36/37/382033637.db2.gz BCTNYNFJIWOQSX-MEBBXXQBSA-N 2 2 282.790 3.051 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522232 382033641 /nfs/dbraw/zinc/03/36/41/382033641.db2.gz BCTNYNFJIWOQSX-MEBBXXQBSA-N 2 2 282.790 3.051 20 0 CGADLP Fc1cc(Cl)cc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000362523050 382034771 /nfs/dbraw/zinc/03/47/71/382034771.db2.gz DEEYVOBLRLNSLA-UHFFFAOYSA-N 2 2 293.773 3.466 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCC23CCCC3)[nH+]c2n1CCCC2 ZINC000365056468 382281108 /nfs/dbraw/zinc/28/11/08/382281108.db2.gz UBSQKJJUSMORMU-OAHLLOKOSA-N 2 2 273.424 3.074 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000235087129 542311025 /nfs/dbraw/zinc/31/10/25/542311025.db2.gz WYECASNQHRQPGM-JSGCOSHPSA-N 2 2 264.438 3.201 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccccc3C1)CCC2 ZINC000366207804 382304589 /nfs/dbraw/zinc/30/45/89/382304589.db2.gz DCRGNBQHWKNHIW-MSOLQXFVSA-N 2 2 295.430 3.216 20 0 CGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@H+](C)C1CC1 ZINC000367615476 382352927 /nfs/dbraw/zinc/35/29/27/382352927.db2.gz KWHDOORZCWDJCW-CJNGLKHVSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000367615476 382352932 /nfs/dbraw/zinc/35/29/32/382352932.db2.gz KWHDOORZCWDJCW-CJNGLKHVSA-N 2 2 290.455 3.103 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368689916 382379355 /nfs/dbraw/zinc/37/93/55/382379355.db2.gz WHZDBDKZOPHOGR-MCIONIFRSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368689916 382379361 /nfs/dbraw/zinc/37/93/61/382379361.db2.gz WHZDBDKZOPHOGR-MCIONIFRSA-N 2 2 261.413 3.071 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000250631259 542343673 /nfs/dbraw/zinc/34/36/73/542343673.db2.gz RDUMOZJBTUTBFY-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000250631259 542343676 /nfs/dbraw/zinc/34/36/76/542343676.db2.gz RDUMOZJBTUTBFY-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416671 542349861 /nfs/dbraw/zinc/34/98/61/542349861.db2.gz PASFBOFEOPNVLP-PBFPGSCMSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416671 542349864 /nfs/dbraw/zinc/34/98/64/542349864.db2.gz PASFBOFEOPNVLP-PBFPGSCMSA-N 2 2 294.389 3.490 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1[NH3+] ZINC000252924922 542351686 /nfs/dbraw/zinc/35/16/86/542351686.db2.gz LWPHKYPNFYQFQX-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@H]1[NH3+] ZINC000252924922 542351690 /nfs/dbraw/zinc/35/16/90/542351690.db2.gz LWPHKYPNFYQFQX-QMTHXVAHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341509 208231009 /nfs/dbraw/zinc/23/10/09/208231009.db2.gz KQSSRKSLQONWHU-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335341509 208231014 /nfs/dbraw/zinc/23/10/14/208231014.db2.gz KQSSRKSLQONWHU-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335341509 208231017 /nfs/dbraw/zinc/23/10/17/208231017.db2.gz KQSSRKSLQONWHU-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335341509 208231022 /nfs/dbraw/zinc/23/10/22/208231022.db2.gz KQSSRKSLQONWHU-LRDDRELGSA-N 2 2 280.362 3.053 20 0 CGADLP FC1=CCC[NH+](CCCCC[N@H+]2CCC=C(F)C2)C1 ZINC000272567935 542367781 /nfs/dbraw/zinc/36/77/81/542367781.db2.gz VACATQPXHPPJHG-UHFFFAOYSA-N 2 2 270.367 3.275 20 0 CGADLP FC1=CCC[NH+](CCCCC[N@@H+]2CCC=C(F)C2)C1 ZINC000272567935 542367784 /nfs/dbraw/zinc/36/77/84/542367784.db2.gz VACATQPXHPPJHG-UHFFFAOYSA-N 2 2 270.367 3.275 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127497 533056449 /nfs/dbraw/zinc/05/64/49/533056449.db2.gz PYWDTQWDEYOTIY-GFCCVEGCSA-N 2 2 275.421 3.035 20 0 CGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000289352831 197307670 /nfs/dbraw/zinc/30/76/70/197307670.db2.gz XQDOXRSVAIHVGP-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000285731307 542389291 /nfs/dbraw/zinc/38/92/91/542389291.db2.gz PVXXTLXAXJSJBN-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000285731307 542389295 /nfs/dbraw/zinc/38/92/95/542389295.db2.gz PVXXTLXAXJSJBN-NVXWUHKLSA-N 2 2 269.392 3.356 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCC(F)(F)CC1 ZINC000289247202 197275367 /nfs/dbraw/zinc/27/53/67/197275367.db2.gz ASTTWJZRHCGUCA-UHFFFAOYSA-N 2 2 279.334 3.344 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCC(F)(F)CC1 ZINC000289247202 197275368 /nfs/dbraw/zinc/27/53/68/197275368.db2.gz ASTTWJZRHCGUCA-UHFFFAOYSA-N 2 2 279.334 3.344 20 0 CGADLP Cc1ccc(CCC[NH2+]CCN(C)c2ccccc2)c[nH+]1 ZINC000353935420 220418661 /nfs/dbraw/zinc/41/86/61/220418661.db2.gz WPLSNXMWUVATQB-UHFFFAOYSA-N 2 2 283.419 3.049 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510714502 285200871 /nfs/dbraw/zinc/20/08/71/285200871.db2.gz CQOFORXXJJNKSP-XHSDSOJGSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510714502 285200873 /nfs/dbraw/zinc/20/08/73/285200873.db2.gz CQOFORXXJJNKSP-XHSDSOJGSA-N 2 2 270.436 3.369 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094434 285288272 /nfs/dbraw/zinc/28/82/72/285288272.db2.gz RXLKDHYVEPHETC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094434 285288274 /nfs/dbraw/zinc/28/82/74/285288274.db2.gz RXLKDHYVEPHETC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439740 542500700 /nfs/dbraw/zinc/50/07/00/542500700.db2.gz FWYZNSCDUCMMNO-JYJNAYRXSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439740 542500704 /nfs/dbraw/zinc/50/07/04/542500704.db2.gz FWYZNSCDUCMMNO-JYJNAYRXSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348076124 542513289 /nfs/dbraw/zinc/51/32/89/542513289.db2.gz NCLYCEKLLMHCII-LSDHHAIUSA-N 2 2 269.392 3.123 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000282590054 195653274 /nfs/dbraw/zinc/65/32/74/195653274.db2.gz IMCJOMSXOMYESN-CABCVRRESA-N 2 2 279.403 3.392 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)cn1 ZINC000423199153 533360737 /nfs/dbraw/zinc/36/07/37/533360737.db2.gz JHPIZJXKXQSCOX-GFCCVEGCSA-N 2 2 281.831 3.437 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000423434445 533437010 /nfs/dbraw/zinc/43/70/10/533437010.db2.gz RYZARWUUPSNWIG-FZKQIMNGSA-N 2 2 284.378 3.363 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000427872727 533528357 /nfs/dbraw/zinc/52/83/57/533528357.db2.gz DOQKGHHMRYGFJE-CXAGYDPISA-N 2 2 281.403 3.037 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cnc2ccsc2c1 ZINC000368104704 533528835 /nfs/dbraw/zinc/52/88/35/533528835.db2.gz IVNRXPUIYOXDSJ-ZYHUDNBSSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cnc2ccsc2c1 ZINC000368104704 533528838 /nfs/dbraw/zinc/52/88/38/533528838.db2.gz IVNRXPUIYOXDSJ-ZYHUDNBSSA-N 2 2 298.415 3.228 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389174635 542606371 /nfs/dbraw/zinc/60/63/71/542606371.db2.gz OQTOILUYPRAVMD-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000389174635 542606372 /nfs/dbraw/zinc/60/63/72/542606372.db2.gz OQTOILUYPRAVMD-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389506117 542607998 /nfs/dbraw/zinc/60/79/98/542607998.db2.gz DDQLDMHFACWCFS-LXPRWKDFSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389506117 542608001 /nfs/dbraw/zinc/60/80/01/542608001.db2.gz DDQLDMHFACWCFS-LXPRWKDFSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cn2)n1-c1ccccc1 ZINC000400854028 542622683 /nfs/dbraw/zinc/62/26/83/542622683.db2.gz RSQDZMFZSJZVOO-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000059181124 392117670 /nfs/dbraw/zinc/11/76/70/392117670.db2.gz KJSMDDULBLMWOA-UHFFFAOYSA-N 2 2 292.452 3.207 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000361747311 392310787 /nfs/dbraw/zinc/31/07/87/392310787.db2.gz ZISSDQVHOHSBOB-ZFWWWQNUSA-N 2 2 298.430 3.499 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000361747311 392310793 /nfs/dbraw/zinc/31/07/93/392310793.db2.gz ZISSDQVHOHSBOB-ZFWWWQNUSA-N 2 2 298.430 3.499 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000107038408 392315182 /nfs/dbraw/zinc/31/51/82/392315182.db2.gz IXEHQNPEQGRWCJ-UHFFFAOYSA-N 2 2 282.378 3.319 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000285824902 392335447 /nfs/dbraw/zinc/33/54/47/392335447.db2.gz WPFVCECJXKFJJA-CVEARBPZSA-N 2 2 275.440 3.305 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000285824902 392335451 /nfs/dbraw/zinc/33/54/51/392335451.db2.gz WPFVCECJXKFJJA-CVEARBPZSA-N 2 2 275.440 3.305 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000361826371 392335468 /nfs/dbraw/zinc/33/54/68/392335468.db2.gz WPEHJLWGZKHHKT-HIFRSBDPSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000361826371 392335471 /nfs/dbraw/zinc/33/54/71/392335471.db2.gz WPEHJLWGZKHHKT-HIFRSBDPSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000361831924 392337743 /nfs/dbraw/zinc/33/77/43/392337743.db2.gz YCBXSNNOMXIANG-CALCHBBNSA-N 2 2 281.403 3.269 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000361831924 392337750 /nfs/dbraw/zinc/33/77/50/392337750.db2.gz YCBXSNNOMXIANG-CALCHBBNSA-N 2 2 281.403 3.269 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000237666253 131051368 /nfs/dbraw/zinc/05/13/68/131051368.db2.gz ZUEJMTMQCFYDKK-XJKSGUPXSA-N 2 2 295.386 3.383 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000251234756 131129047 /nfs/dbraw/zinc/12/90/47/131129047.db2.gz CDJVXZPVANQRIP-XQQFMLRXSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000251234756 131129049 /nfs/dbraw/zinc/12/90/49/131129049.db2.gz CDJVXZPVANQRIP-XQQFMLRXSA-N 2 2 280.362 3.242 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287600368 392401511 /nfs/dbraw/zinc/40/15/11/392401511.db2.gz RXYRCPXAZHMTLP-VXGBXAGGSA-N 2 2 282.428 3.120 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287600368 392401514 /nfs/dbraw/zinc/40/15/14/392401514.db2.gz RXYRCPXAZHMTLP-VXGBXAGGSA-N 2 2 282.428 3.120 20 0 CGADLP CCCC[C@H](COC)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152249264 392499520 /nfs/dbraw/zinc/49/95/20/392499520.db2.gz JHZSQWCATDPOPV-MRXNPFEDSA-N 2 2 287.407 3.167 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C34CCC(CC3)C4)n2c1 ZINC000371751643 392552955 /nfs/dbraw/zinc/55/29/55/392552955.db2.gz ANBPSQINVMNQCX-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158879965 392577623 /nfs/dbraw/zinc/57/76/23/392577623.db2.gz LZFKYFPVRXVTQB-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158879965 392577624 /nfs/dbraw/zinc/57/76/24/392577624.db2.gz LZFKYFPVRXVTQB-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158879965 392577627 /nfs/dbraw/zinc/57/76/27/392577627.db2.gz LZFKYFPVRXVTQB-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)CC[C@@H]21 ZINC000158879965 392577633 /nfs/dbraw/zinc/57/76/33/392577633.db2.gz LZFKYFPVRXVTQB-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000163264231 392604233 /nfs/dbraw/zinc/60/42/33/392604233.db2.gz IVNLMHVAVQTKDJ-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000163264231 392604236 /nfs/dbraw/zinc/60/42/36/392604236.db2.gz IVNLMHVAVQTKDJ-ROUUACIJSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C=CCCC1 ZINC000372574919 392619308 /nfs/dbraw/zinc/61/93/08/392619308.db2.gz PTLQYTKRPJUPHU-KSZLIROESA-N 2 2 285.435 3.115 20 0 CGADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C=CCCC1 ZINC000372574919 392619310 /nfs/dbraw/zinc/61/93/10/392619310.db2.gz PTLQYTKRPJUPHU-KSZLIROESA-N 2 2 285.435 3.115 20 0 CGADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1C=CCCC1 ZINC000372574919 392619313 /nfs/dbraw/zinc/61/93/13/392619313.db2.gz PTLQYTKRPJUPHU-KSZLIROESA-N 2 2 285.435 3.115 20 0 CGADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1C=CCCC1 ZINC000372574919 392619317 /nfs/dbraw/zinc/61/93/17/392619317.db2.gz PTLQYTKRPJUPHU-KSZLIROESA-N 2 2 285.435 3.115 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[nH+]1 ZINC000302241927 392613328 /nfs/dbraw/zinc/61/33/28/392613328.db2.gz OVZPVSWTXVXPMF-UHFFFAOYSA-N 2 2 295.430 3.491 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH+]1 ZINC000302241927 392613329 /nfs/dbraw/zinc/61/33/29/392613329.db2.gz OVZPVSWTXVXPMF-UHFFFAOYSA-N 2 2 295.430 3.491 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000372929356 392647316 /nfs/dbraw/zinc/64/73/16/392647316.db2.gz IQDRYFPTNJJXNP-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000372929356 392647321 /nfs/dbraw/zinc/64/73/21/392647321.db2.gz IQDRYFPTNJJXNP-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)s1 ZINC000334686410 392746037 /nfs/dbraw/zinc/74/60/37/392746037.db2.gz LRVCOBGJMKJLLP-ZYHUDNBSSA-N 2 2 275.421 3.296 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)s1 ZINC000334686410 392746041 /nfs/dbraw/zinc/74/60/41/392746041.db2.gz LRVCOBGJMKJLLP-ZYHUDNBSSA-N 2 2 275.421 3.296 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647532939 392754353 /nfs/dbraw/zinc/75/43/53/392754353.db2.gz HYNIUJOHUGOMPW-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647532939 392754358 /nfs/dbraw/zinc/75/43/58/392754358.db2.gz HYNIUJOHUGOMPW-IUODEOHRSA-N 2 2 272.417 3.085 20 0 CGADLP CC(C)Cc1ncc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554213 392769239 /nfs/dbraw/zinc/76/92/39/392769239.db2.gz UDQNMPCRCPSUAW-AWEZNQCLSA-N 2 2 293.480 3.106 20 0 CGADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647536818 392756804 /nfs/dbraw/zinc/75/68/04/392756804.db2.gz IMJSUUJGODHELZ-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647536818 392756809 /nfs/dbraw/zinc/75/68/09/392756809.db2.gz IMJSUUJGODHELZ-OAHLLOKOSA-N 2 2 298.352 3.281 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000647553548 392765734 /nfs/dbraw/zinc/76/57/34/392765734.db2.gz CPKXNGNVCJRVQG-MJSXRHKHSA-N 2 2 292.373 3.242 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC3 ZINC000180239151 392707569 /nfs/dbraw/zinc/70/75/69/392707569.db2.gz CXMBBLXRMKUGHR-GJZGRUSLSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC3 ZINC000180239151 392707573 /nfs/dbraw/zinc/70/75/73/392707573.db2.gz CXMBBLXRMKUGHR-GJZGRUSLSA-N 2 2 297.446 3.017 20 0 CGADLP c1c2ccccc2oc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553917 392766851 /nfs/dbraw/zinc/76/68/51/392766851.db2.gz MZOOOOOANKRVPR-INIZCTEOSA-N 2 2 270.376 3.197 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000647793715 392799003 /nfs/dbraw/zinc/79/90/03/392799003.db2.gz GARDFIOCXKUUID-LOWDOPEQSA-N 2 2 292.389 3.331 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793356 392799025 /nfs/dbraw/zinc/79/90/25/392799025.db2.gz UVPOTIQERWYUCH-DTZQCDIJSA-N 2 2 258.409 3.383 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000510716245 392811557 /nfs/dbraw/zinc/81/15/57/392811557.db2.gz FDFCLAVFTNSQOY-GBESFXJTSA-N 2 2 286.463 3.328 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000375806229 392823610 /nfs/dbraw/zinc/82/36/10/392823610.db2.gz AHNDEANVRFFSAA-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000375806229 392823615 /nfs/dbraw/zinc/82/36/15/392823615.db2.gz AHNDEANVRFFSAA-UHFFFAOYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924080 392834881 /nfs/dbraw/zinc/83/48/81/392834881.db2.gz DAMBVTREIYRQLC-NSHDSACASA-N 2 2 297.240 3.323 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000337999951 392895856 /nfs/dbraw/zinc/89/58/56/392895856.db2.gz PDXXLDVJOJQCGE-OLZOCXBDSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000337999951 392895861 /nfs/dbraw/zinc/89/58/61/392895861.db2.gz PDXXLDVJOJQCGE-OLZOCXBDSA-N 2 2 294.389 3.112 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000338026097 392897522 /nfs/dbraw/zinc/89/75/22/392897522.db2.gz ZTTKLUABEOIEIC-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000338026097 392897529 /nfs/dbraw/zinc/89/75/29/392897529.db2.gz ZTTKLUABEOIEIC-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000520216739 392912084 /nfs/dbraw/zinc/91/20/84/392912084.db2.gz ZZPPMFLJKAFSAL-NSHDSACASA-N 2 2 256.340 3.004 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000337347568 392881121 /nfs/dbraw/zinc/88/11/21/392881121.db2.gz XRCRNLOCPOUXBD-FZCLSBEQSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C[N@H+]1C1CC1 ZINC000337347568 392881128 /nfs/dbraw/zinc/88/11/28/392881128.db2.gz XRCRNLOCPOUXBD-FZCLSBEQSA-N 2 2 299.462 3.323 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000341397281 392986781 /nfs/dbraw/zinc/98/67/81/392986781.db2.gz NTGIAWZNVFFQIQ-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000341397281 392986786 /nfs/dbraw/zinc/98/67/86/392986786.db2.gz NTGIAWZNVFFQIQ-ABXWRUBCSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000222021884 393007538 /nfs/dbraw/zinc/00/75/38/393007538.db2.gz DTYFRJZXVDQIEN-SQNIBIBYSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000222021884 393007543 /nfs/dbraw/zinc/00/75/43/393007543.db2.gz DTYFRJZXVDQIEN-SQNIBIBYSA-N 2 2 270.420 3.199 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597890 393091052 /nfs/dbraw/zinc/09/10/52/393091052.db2.gz XKQQIQJDYLZYEH-PBHICJAKSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597890 393091059 /nfs/dbraw/zinc/09/10/59/393091059.db2.gz XKQQIQJDYLZYEH-PBHICJAKSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000546613981 393061234 /nfs/dbraw/zinc/06/12/34/393061234.db2.gz ZDUYGECBJSKHBI-KBPBESRZSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000546613981 393061242 /nfs/dbraw/zinc/06/12/42/393061242.db2.gz ZDUYGECBJSKHBI-KBPBESRZSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952596 393061576 /nfs/dbraw/zinc/06/15/76/393061576.db2.gz KQQDFNCIXHFCTF-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP Cc1cnccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000648586463 393114171 /nfs/dbraw/zinc/11/41/71/393114171.db2.gz QTUBFRWZVXJJJJ-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000415052431 393114762 /nfs/dbraw/zinc/11/47/62/393114762.db2.gz LEWNGMVWSHUTKE-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053152 393115161 /nfs/dbraw/zinc/11/51/61/393115161.db2.gz OGSYWFZXHRGHEM-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000415053152 393115166 /nfs/dbraw/zinc/11/51/66/393115166.db2.gz OGSYWFZXHRGHEM-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000415057819 393118948 /nfs/dbraw/zinc/11/89/48/393118948.db2.gz UMCGQKHXSYTFHM-ZDUSSCGKSA-N 2 2 281.469 3.264 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000415060712 393121719 /nfs/dbraw/zinc/12/17/19/393121719.db2.gz XJBMCNFEZWJADJ-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(Br)c1 ZINC000415059510 393121778 /nfs/dbraw/zinc/12/17/78/393121778.db2.gz YHBAYSUGZFAQGK-CYBMUJFWSA-N 2 2 299.256 3.221 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000547505378 393124065 /nfs/dbraw/zinc/12/40/65/393124065.db2.gz FLRXGQZEPBCEOO-LBPRGKRZSA-N 2 2 278.787 3.063 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000415068145 393125776 /nfs/dbraw/zinc/12/57/76/393125776.db2.gz QHHOCCWXVRNPPD-KDOFPFPSSA-N 2 2 290.451 3.044 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000415074418 393129982 /nfs/dbraw/zinc/12/99/82/393129982.db2.gz COWQLKJGMQLHAZ-VXGBXAGGSA-N 2 2 283.485 3.465 20 0 CGADLP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000415076409 393132476 /nfs/dbraw/zinc/13/24/76/393132476.db2.gz BCCCKZWDQNZRIA-IUODEOHRSA-N 2 2 298.858 3.394 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415087194 393138311 /nfs/dbraw/zinc/13/83/11/393138311.db2.gz KRMQHXIRFKKNBP-RTBURBONSA-N 2 2 280.415 3.312 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087387 393138603 /nfs/dbraw/zinc/13/86/03/393138603.db2.gz SZKVCNBXPLZJQK-WFASDCNBSA-N 2 2 268.351 3.148 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000415084869 393138700 /nfs/dbraw/zinc/13/87/00/393138700.db2.gz RSKPUOCXKQRWPP-TZMCWYRMSA-N 2 2 293.480 3.421 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415106189 393147382 /nfs/dbraw/zinc/14/73/82/393147382.db2.gz MVMMOXXCHMSRAA-KBPBESRZSA-N 2 2 286.341 3.498 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000469952370 393222151 /nfs/dbraw/zinc/22/21/51/393222151.db2.gz GYRKWBCMBUJRIH-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000469952370 393222158 /nfs/dbraw/zinc/22/21/58/393222158.db2.gz GYRKWBCMBUJRIH-ZWKOTPCHSA-N 2 2 272.436 3.036 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475546724 393407836 /nfs/dbraw/zinc/40/78/36/393407836.db2.gz FJVFTAJXCGZAHL-QCPWZWHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475546724 393407838 /nfs/dbraw/zinc/40/78/38/393407838.db2.gz FJVFTAJXCGZAHL-QCPWZWHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)F ZINC000647225830 393397455 /nfs/dbraw/zinc/39/74/55/393397455.db2.gz DIAGBQZPCHKIPH-LZWOXQAQSA-N 2 2 296.405 3.388 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)F ZINC000647225830 393397457 /nfs/dbraw/zinc/39/74/57/393397457.db2.gz DIAGBQZPCHKIPH-LZWOXQAQSA-N 2 2 296.405 3.388 20 0 CGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000475094266 393369781 /nfs/dbraw/zinc/36/97/81/393369781.db2.gz USCVEBTWUVQUJO-GJZGRUSLSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647181819 393373111 /nfs/dbraw/zinc/37/31/11/393373111.db2.gz TZFNZVNYNQRGCQ-BETUJISGSA-N 2 2 274.399 3.417 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647181819 393373117 /nfs/dbraw/zinc/37/31/17/393373117.db2.gz TZFNZVNYNQRGCQ-BETUJISGSA-N 2 2 274.399 3.417 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647183193 393374201 /nfs/dbraw/zinc/37/42/01/393374201.db2.gz MSAWVXVWIYTWFN-AWEZNQCLSA-N 2 2 274.399 3.418 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647183193 393374207 /nfs/dbraw/zinc/37/42/07/393374207.db2.gz MSAWVXVWIYTWFN-AWEZNQCLSA-N 2 2 274.399 3.418 20 0 CGADLP CC[C@H]1C[N@H+](Cc2csc(CCC(C)C)n2)CC[C@H]1[NH3+] ZINC000649416637 393416536 /nfs/dbraw/zinc/41/65/36/393416536.db2.gz HBFJJUGROZNJOV-DZGCQCFKSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2csc(CCC(C)C)n2)CC[C@H]1[NH3+] ZINC000649416637 393416541 /nfs/dbraw/zinc/41/65/41/393416541.db2.gz HBFJJUGROZNJOV-DZGCQCFKSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000649416499 393417116 /nfs/dbraw/zinc/41/71/16/393417116.db2.gz CBUTUMLDEKFCPA-IIAWOOMASA-N 2 2 299.418 3.462 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000649416499 393417121 /nfs/dbraw/zinc/41/71/21/393417121.db2.gz CBUTUMLDEKFCPA-IIAWOOMASA-N 2 2 299.418 3.462 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)[C@H]3CC3(C)C)cn21 ZINC000647262586 393420867 /nfs/dbraw/zinc/42/08/67/393420867.db2.gz FUSCRLZYLDJQCQ-DZGCQCFKSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)ccc1F ZINC000647262507 393421121 /nfs/dbraw/zinc/42/11/21/393421121.db2.gz BBUWHJNBGRKVBQ-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420393265 393481686 /nfs/dbraw/zinc/48/16/86/393481686.db2.gz BZBNAXIQPIMNQL-UONOGXRCSA-N 2 2 295.496 3.148 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420393265 393481693 /nfs/dbraw/zinc/48/16/93/393481693.db2.gz BZBNAXIQPIMNQL-UONOGXRCSA-N 2 2 295.496 3.148 20 0 CGADLP FC1(F)CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000429473390 393470707 /nfs/dbraw/zinc/47/07/07/393470707.db2.gz XJDJHZNBDXXZBR-CQSZACIVSA-N 2 2 280.362 3.038 20 0 CGADLP FC1(F)CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000429473390 393470711 /nfs/dbraw/zinc/47/07/11/393470711.db2.gz XJDJHZNBDXXZBR-CQSZACIVSA-N 2 2 280.362 3.038 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000420354484 393473145 /nfs/dbraw/zinc/47/31/45/393473145.db2.gz OKGPZOPQHIRAJA-KSSFIOAISA-N 2 2 284.403 3.030 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000420354484 393473153 /nfs/dbraw/zinc/47/31/53/393473153.db2.gz OKGPZOPQHIRAJA-KSSFIOAISA-N 2 2 284.403 3.030 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccc(F)cc1F ZINC000420367212 393476494 /nfs/dbraw/zinc/47/64/94/393476494.db2.gz MUMJLMBHSCSOEK-USXUVBGUSA-N 2 2 268.351 3.002 20 0 CGADLP Cc1sc([C@H](C)[NH2+]CC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420414701 393486521 /nfs/dbraw/zinc/48/65/21/393486521.db2.gz USQPQESTLXQUAI-VIFPVBQESA-N 2 2 295.839 3.381 20 0 CGADLP C[N@H+](CC[NH+]1CCC[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700275 393496054 /nfs/dbraw/zinc/49/60/54/393496054.db2.gz ZJDSZGROBCZIQI-ZWKOTPCHSA-N 2 2 272.436 3.383 20 0 CGADLP C[N@@H+](CC[NH+]1CCC[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700275 393496058 /nfs/dbraw/zinc/49/60/58/393496058.db2.gz ZJDSZGROBCZIQI-ZWKOTPCHSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@@H+]1CCC[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700275 393496066 /nfs/dbraw/zinc/49/60/66/393496066.db2.gz ZJDSZGROBCZIQI-ZWKOTPCHSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](CC[N@H+]1CCC[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000429700275 393496073 /nfs/dbraw/zinc/49/60/73/393496073.db2.gz ZJDSZGROBCZIQI-ZWKOTPCHSA-N 2 2 272.436 3.383 20 0 CGADLP C[NH+](C)C1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000420630743 393510799 /nfs/dbraw/zinc/51/07/99/393510799.db2.gz TXGHDGZKIWAIMG-UHFFFAOYSA-N 2 2 287.329 3.385 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065874 393516234 /nfs/dbraw/zinc/51/62/34/393516234.db2.gz JVFIPCMGTLCIEJ-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065874 393516238 /nfs/dbraw/zinc/51/62/38/393516238.db2.gz JVFIPCMGTLCIEJ-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065874 393516242 /nfs/dbraw/zinc/51/62/42/393516242.db2.gz JVFIPCMGTLCIEJ-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCC4)[C@H]2C1 ZINC000430065874 393516247 /nfs/dbraw/zinc/51/62/47/393516247.db2.gz JVFIPCMGTLCIEJ-MJGOQNOKSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CCCC2 ZINC000430075483 393517629 /nfs/dbraw/zinc/51/76/29/393517629.db2.gz BOVSYFGNCVCZSG-UHFFFAOYSA-N 2 2 283.419 3.284 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CCCC2 ZINC000430075483 393517634 /nfs/dbraw/zinc/51/76/34/393517634.db2.gz BOVSYFGNCVCZSG-UHFFFAOYSA-N 2 2 283.419 3.284 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c[nH+]1 ZINC000430087269 393520092 /nfs/dbraw/zinc/52/00/92/393520092.db2.gz SRWVAJVMOOAZGH-CABCVRRESA-N 2 2 280.362 3.300 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c[nH+]1 ZINC000430087269 393520097 /nfs/dbraw/zinc/52/00/97/393520097.db2.gz SRWVAJVMOOAZGH-CABCVRRESA-N 2 2 280.362 3.300 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000358114971 393520375 /nfs/dbraw/zinc/52/03/75/393520375.db2.gz UYQQIRSONXYMIH-COXVUDFISA-N 2 2 288.435 3.002 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000358114971 393520378 /nfs/dbraw/zinc/52/03/78/393520378.db2.gz UYQQIRSONXYMIH-COXVUDFISA-N 2 2 288.435 3.002 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(C2CC2)CC1 ZINC000649637949 393521377 /nfs/dbraw/zinc/52/13/77/393521377.db2.gz GAWUVKLRJXVRHC-QGZVFWFLSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(C2CC2)CC1 ZINC000649637949 393521381 /nfs/dbraw/zinc/52/13/81/393521381.db2.gz GAWUVKLRJXVRHC-QGZVFWFLSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000430115026 393525410 /nfs/dbraw/zinc/52/54/10/393525410.db2.gz UKGIWSAWOOISHW-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000430115026 393525414 /nfs/dbraw/zinc/52/54/14/393525414.db2.gz UKGIWSAWOOISHW-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000430115026 393525417 /nfs/dbraw/zinc/52/54/17/393525417.db2.gz UKGIWSAWOOISHW-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Cl ZINC000430115026 393525422 /nfs/dbraw/zinc/52/54/22/393525422.db2.gz UKGIWSAWOOISHW-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP CC[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](CC)O1 ZINC000420954497 393556813 /nfs/dbraw/zinc/55/68/13/393556813.db2.gz KAMIRUYNVIDYAT-QZTJIDSGSA-N 2 2 299.418 3.262 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1C(F)(F)F ZINC000666770896 542814651 /nfs/dbraw/zinc/81/46/51/542814651.db2.gz YPRSMYQYMVEDTH-ZDUSSCGKSA-N 2 2 286.341 3.246 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@@H+]1C ZINC000421344336 393605288 /nfs/dbraw/zinc/60/52/88/393605288.db2.gz PJUSJYPZMOBTAL-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC3(C2)CCCCC3)CCC[N@H+]1C ZINC000421344336 393605291 /nfs/dbraw/zinc/60/52/91/393605291.db2.gz PJUSJYPZMOBTAL-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141476 393683482 /nfs/dbraw/zinc/68/34/82/393683482.db2.gz OHENPLXTQQHUPY-AAEUAGOBSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000361141476 393683486 /nfs/dbraw/zinc/68/34/86/393683486.db2.gz OHENPLXTQQHUPY-AAEUAGOBSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2sccc21 ZINC000423230197 393654657 /nfs/dbraw/zinc/65/46/57/393654657.db2.gz CWIRZFKUXGDQIF-NTZNESFSSA-N 2 2 250.411 3.028 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1F ZINC000423235234 393655611 /nfs/dbraw/zinc/65/56/11/393655611.db2.gz NABKERVEEGXZOQ-ZWNOBZJWSA-N 2 2 270.779 3.272 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423297170 393660547 /nfs/dbraw/zinc/66/05/47/393660547.db2.gz JASDXEAQBIGILX-RISCZKNCSA-N 2 2 282.428 3.470 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423363167 393663872 /nfs/dbraw/zinc/66/38/72/393663872.db2.gz NOLZGWNKXMCUJE-DOPJRALCSA-N 2 2 297.446 3.441 20 0 CGADLP COCCC[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442881367 393740393 /nfs/dbraw/zinc/74/03/93/393740393.db2.gz ZGHOVMZUOJXXTL-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP Cc1cc(NC[C@H](C)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000443435872 393757346 /nfs/dbraw/zinc/75/73/46/393757346.db2.gz HSCLZFPBCXUJBH-NSHDSACASA-N 2 2 261.344 3.044 20 0 CGADLP Clc1cccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000433300269 393709438 /nfs/dbraw/zinc/70/94/38/393709438.db2.gz SUDFXXSKWQJSPS-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1cccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000433300269 393709443 /nfs/dbraw/zinc/70/94/43/393709443.db2.gz SUDFXXSKWQJSPS-HNNXBMFYSA-N 2 2 289.810 3.416 20 0 CGADLP CCc1cc(NCCNc2cccc[nH+]2)c2ccccc2[nH+]1 ZINC000443665808 393770616 /nfs/dbraw/zinc/77/06/16/393770616.db2.gz CDVVWIQFJPJARU-UHFFFAOYSA-N 2 2 292.386 3.138 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CC[C@@H]1CCOC1)[NH+](C)C ZINC000443780038 393772132 /nfs/dbraw/zinc/77/21/32/393772132.db2.gz KLBUQTKAWQDQEE-NUJGCVRESA-N 2 2 290.451 3.002 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495182415 393777857 /nfs/dbraw/zinc/77/78/57/393777857.db2.gz HTLLMUIJXFFPFG-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495182415 393777860 /nfs/dbraw/zinc/77/78/60/393777860.db2.gz HTLLMUIJXFFPFG-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495182415 393777862 /nfs/dbraw/zinc/77/78/62/393777862.db2.gz HTLLMUIJXFFPFG-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495182415 393777865 /nfs/dbraw/zinc/77/78/65/393777865.db2.gz HTLLMUIJXFFPFG-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Cl ZINC000443991891 393780448 /nfs/dbraw/zinc/78/04/48/393780448.db2.gz XEACJXUQDNIXOW-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1Cl ZINC000443991891 393780452 /nfs/dbraw/zinc/78/04/52/393780452.db2.gz XEACJXUQDNIXOW-IUODEOHRSA-N 2 2 266.816 3.221 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000500397284 393826440 /nfs/dbraw/zinc/82/64/40/393826440.db2.gz QCBIIIUVAWQLOB-DVINNUGASA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000500397284 393826446 /nfs/dbraw/zinc/82/64/46/393826446.db2.gz QCBIIIUVAWQLOB-DVINNUGASA-N 2 2 258.409 3.162 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000447577113 393864975 /nfs/dbraw/zinc/86/49/75/393864975.db2.gz FQUHUWDVMIWYOL-JKIFEVAISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000447577113 393864976 /nfs/dbraw/zinc/86/49/76/393864976.db2.gz FQUHUWDVMIWYOL-JKIFEVAISA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)CCC2 ZINC000449166815 393876065 /nfs/dbraw/zinc/87/60/65/393876065.db2.gz GHOXKFRHHDLOAX-BFJAYTPKSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449375655 393879583 /nfs/dbraw/zinc/87/95/83/393879583.db2.gz JDXYUPLYWFVZJW-OGWOLHLISA-N 2 2 284.447 3.179 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449375655 393879587 /nfs/dbraw/zinc/87/95/87/393879587.db2.gz JDXYUPLYWFVZJW-OGWOLHLISA-N 2 2 284.447 3.179 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)COC(C)C)[NH+](C)C)cc1 ZINC000501453364 393853484 /nfs/dbraw/zinc/85/34/84/393853484.db2.gz SFTJKZDAKCNSOM-QAPCUYQASA-N 2 2 292.467 3.255 20 0 CGADLP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450594272 394027765 /nfs/dbraw/zinc/02/77/65/394027765.db2.gz OXDAOZXTJPJCQJ-GDBMZVCRSA-N 2 2 259.397 3.266 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000450594272 394027768 /nfs/dbraw/zinc/02/77/68/394027768.db2.gz OXDAOZXTJPJCQJ-GDBMZVCRSA-N 2 2 259.397 3.266 20 0 CGADLP CC(C)[C@@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488683 394004462 /nfs/dbraw/zinc/00/44/62/394004462.db2.gz WDSZPKWWBXVUKT-HZPDHXFCSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450488683 394004464 /nfs/dbraw/zinc/00/44/64/394004464.db2.gz WDSZPKWWBXVUKT-HZPDHXFCSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450488683 394004465 /nfs/dbraw/zinc/00/44/65/394004465.db2.gz WDSZPKWWBXVUKT-HZPDHXFCSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[C@@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450488683 394004467 /nfs/dbraw/zinc/00/44/67/394004467.db2.gz WDSZPKWWBXVUKT-HZPDHXFCSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000453206445 394204913 /nfs/dbraw/zinc/20/49/13/394204913.db2.gz VJHKQSUAEQFUSA-STQMWFEESA-N 2 2 261.394 3.000 20 0 CGADLP C[C@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCCC3)c2[nH+]ccn21 ZINC000453234988 394214636 /nfs/dbraw/zinc/21/46/36/394214636.db2.gz JBIPCFLVWSKUMZ-SMDDNHRTSA-N 2 2 268.364 3.275 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1cccc(OC)c1 ZINC000667516107 542883405 /nfs/dbraw/zinc/88/34/05/542883405.db2.gz VQDGEQNVNNIINB-CYBMUJFWSA-N 2 2 287.407 3.320 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1cccc(OC)c1 ZINC000667516107 542883407 /nfs/dbraw/zinc/88/34/07/542883407.db2.gz VQDGEQNVNNIINB-CYBMUJFWSA-N 2 2 287.407 3.320 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)n1C ZINC000667640116 542903279 /nfs/dbraw/zinc/90/32/79/542903279.db2.gz KTAYRQMSFNNXGZ-SFHVURJKSA-N 2 2 283.419 3.282 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1C ZINC000667640116 542903280 /nfs/dbraw/zinc/90/32/80/542903280.db2.gz KTAYRQMSFNNXGZ-SFHVURJKSA-N 2 2 283.419 3.282 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(C3CCCC3)CC2)n1C ZINC000667676265 542913619 /nfs/dbraw/zinc/91/36/19/542913619.db2.gz KUEIMVYFLONFPM-UHFFFAOYSA-N 2 2 261.413 3.131 20 0 CGADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688444 542917002 /nfs/dbraw/zinc/91/70/02/542917002.db2.gz SDQZRPZDLJHEGL-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688444 542917005 /nfs/dbraw/zinc/91/70/05/542917005.db2.gz SDQZRPZDLJHEGL-HIFRSBDPSA-N 2 2 261.413 3.230 20 0 CGADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695365 542918706 /nfs/dbraw/zinc/91/87/06/542918706.db2.gz QSBMSJCAMPJCPO-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695365 542918709 /nfs/dbraw/zinc/91/87/09/542918709.db2.gz QSBMSJCAMPJCPO-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000667813603 542931898 /nfs/dbraw/zinc/93/18/98/542931898.db2.gz UJHSAFYDLWXTNJ-HZSPNIEDSA-N 2 2 269.392 3.274 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667995129 542955648 /nfs/dbraw/zinc/95/56/48/542955648.db2.gz AKRHKSQQQJKFQY-MRXNPFEDSA-N 2 2 269.392 3.065 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667995129 542955651 /nfs/dbraw/zinc/95/56/51/542955651.db2.gz AKRHKSQQQJKFQY-MRXNPFEDSA-N 2 2 269.392 3.065 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCCc2cccnc21 ZINC000668003178 542957649 /nfs/dbraw/zinc/95/76/49/542957649.db2.gz JGOQJJHRXRADGW-QGZVFWFLSA-N 2 2 298.434 3.413 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCCc2cccnc21 ZINC000668003178 542957653 /nfs/dbraw/zinc/95/76/53/542957653.db2.gz JGOQJJHRXRADGW-QGZVFWFLSA-N 2 2 298.434 3.413 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668174276 542981820 /nfs/dbraw/zinc/98/18/20/542981820.db2.gz IYVWTROWXUIMKD-KRWDZBQOSA-N 2 2 287.407 3.320 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668174276 542981823 /nfs/dbraw/zinc/98/18/23/542981823.db2.gz IYVWTROWXUIMKD-KRWDZBQOSA-N 2 2 287.407 3.320 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1CC1CCCC1)CCC2 ZINC000668298590 543003552 /nfs/dbraw/zinc/00/35/52/543003552.db2.gz DLZYTPPKJIWJOR-OAHLLOKOSA-N 2 2 273.424 3.374 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1CC1CCCC1)CCC2 ZINC000668298590 543003554 /nfs/dbraw/zinc/00/35/54/543003554.db2.gz DLZYTPPKJIWJOR-OAHLLOKOSA-N 2 2 273.424 3.374 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668431079 543012587 /nfs/dbraw/zinc/01/25/87/543012587.db2.gz VUZVUIOSKIUHPM-HOCLYGCPSA-N 2 2 290.451 3.176 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668431079 543012589 /nfs/dbraw/zinc/01/25/89/543012589.db2.gz VUZVUIOSKIUHPM-HOCLYGCPSA-N 2 2 290.451 3.176 20 0 CGADLP CCCCCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537633 543024575 /nfs/dbraw/zinc/02/45/75/543024575.db2.gz KDFOORLFICZMTH-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537633 543024577 /nfs/dbraw/zinc/02/45/77/543024577.db2.gz KDFOORLFICZMTH-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP C[N@H+](CCc1ccc(C(C)(C)C)cc1)CC1C[NH+](C)C1 ZINC000668538872 543025242 /nfs/dbraw/zinc/02/52/42/543025242.db2.gz ILQUZOSFOWPTFC-UHFFFAOYSA-N 2 2 274.452 3.020 20 0 CGADLP C[N@@H+](CCc1ccc(C(C)(C)C)cc1)CC1C[NH+](C)C1 ZINC000668538872 543025243 /nfs/dbraw/zinc/02/52/43/543025243.db2.gz ILQUZOSFOWPTFC-UHFFFAOYSA-N 2 2 274.452 3.020 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1=CCSC1 ZINC000668774994 543059394 /nfs/dbraw/zinc/05/93/94/543059394.db2.gz NXESRXMFPKHIMT-UHFFFAOYSA-N 2 2 291.445 3.039 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c[nH+]1 ZINC000669680195 543116544 /nfs/dbraw/zinc/11/65/44/543116544.db2.gz YPCLJXCSVNXHTQ-AEFFLSMTSA-N 2 2 298.434 3.374 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708958 543121533 /nfs/dbraw/zinc/12/15/33/543121533.db2.gz ZGRXUHTZDIBUIR-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708958 543121535 /nfs/dbraw/zinc/12/15/35/543121535.db2.gz ZGRXUHTZDIBUIR-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708958 543121538 /nfs/dbraw/zinc/12/15/38/543121538.db2.gz ZGRXUHTZDIBUIR-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2F)C[C@H]1C ZINC000669708958 543121541 /nfs/dbraw/zinc/12/15/41/543121541.db2.gz ZGRXUHTZDIBUIR-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262650 543146077 /nfs/dbraw/zinc/14/60/77/543146077.db2.gz WTDJSDYLEYEWTA-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262650 543146079 /nfs/dbraw/zinc/14/60/79/543146079.db2.gz WTDJSDYLEYEWTA-CABCVRRESA-N 2 2 252.446 3.229 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670267723 543149240 /nfs/dbraw/zinc/14/92/40/543149240.db2.gz QSNAMWBJEPRNIT-CQSZACIVSA-N 2 2 284.488 3.148 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+](C)C)cc1 ZINC000671096970 543158579 /nfs/dbraw/zinc/15/85/79/543158579.db2.gz WVSFXNMZXFSRFR-YOEHRIQHSA-N 2 2 292.467 3.255 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048617 543264896 /nfs/dbraw/zinc/26/48/96/543264896.db2.gz YJYYUULXONVAGS-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000674048617 543264899 /nfs/dbraw/zinc/26/48/99/543264899.db2.gz YJYYUULXONVAGS-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674247189 543277173 /nfs/dbraw/zinc/27/71/73/543277173.db2.gz OZZZUMIGIWXYGC-LBPRGKRZSA-N 2 2 296.296 3.138 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685232 397619649 /nfs/dbraw/zinc/61/96/49/397619649.db2.gz WKHUKVHKUFWVTD-CMPLNLGQSA-N 2 2 282.790 3.366 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685232 397619651 /nfs/dbraw/zinc/61/96/51/397619651.db2.gz WKHUKVHKUFWVTD-CMPLNLGQSA-N 2 2 282.790 3.366 20 0 CGADLP Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc(C(C)C)[nH+]1 ZINC000301620711 397674752 /nfs/dbraw/zinc/67/47/52/397674752.db2.gz CRMYMGYJTNWYPY-ZFWWWQNUSA-N 2 2 299.422 3.192 20 0 CGADLP CC[N@H+](CCC[NH2+][C@@H](C)c1cnccn1)C1CCCCC1 ZINC000650131520 397789394 /nfs/dbraw/zinc/78/93/94/397789394.db2.gz PWHWORPOUUUYLV-HNNXBMFYSA-N 2 2 290.455 3.172 20 0 CGADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1cnccn1)C1CCCCC1 ZINC000650131520 397789397 /nfs/dbraw/zinc/78/93/97/397789397.db2.gz PWHWORPOUUUYLV-HNNXBMFYSA-N 2 2 290.455 3.172 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000675768056 543363288 /nfs/dbraw/zinc/36/32/88/543363288.db2.gz WJNLVXWDPUGHQL-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000675768056 543363290 /nfs/dbraw/zinc/36/32/90/543363290.db2.gz WJNLVXWDPUGHQL-GVDBMIGSSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccoc3)[nH+]c12 ZINC000675925861 543374167 /nfs/dbraw/zinc/37/41/67/543374167.db2.gz BUOXOXZZRFKLCE-CYBMUJFWSA-N 2 2 269.348 3.129 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000677236867 543440805 /nfs/dbraw/zinc/44/08/05/543440805.db2.gz KOENNQMUGYLAQI-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CCC2 ZINC000677236867 543440806 /nfs/dbraw/zinc/44/08/06/543440806.db2.gz KOENNQMUGYLAQI-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000677240245 543441373 /nfs/dbraw/zinc/44/13/73/543441373.db2.gz DTFKOGYJFDLQKY-MJGOQNOKSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000677240245 543441374 /nfs/dbraw/zinc/44/13/74/543441374.db2.gz DTFKOGYJFDLQKY-MJGOQNOKSA-N 2 2 284.447 3.446 20 0 CGADLP CC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749895 543463657 /nfs/dbraw/zinc/46/36/57/543463657.db2.gz PSOWAOXDDCFAKE-INIZCTEOSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749895 543463659 /nfs/dbraw/zinc/46/36/59/543463659.db2.gz PSOWAOXDDCFAKE-INIZCTEOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749640 543463635 /nfs/dbraw/zinc/46/36/35/543463635.db2.gz PEVBQPNOXDDVDW-HYVNUMGLSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749640 543463637 /nfs/dbraw/zinc/46/36/37/543463637.db2.gz PEVBQPNOXDDVDW-HYVNUMGLSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1C ZINC000677984511 543474985 /nfs/dbraw/zinc/47/49/85/543474985.db2.gz LFMOBTXHCMJJHJ-QGZVFWFLSA-N 2 2 269.392 3.201 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1C ZINC000677984511 543474987 /nfs/dbraw/zinc/47/49/87/543474987.db2.gz LFMOBTXHCMJJHJ-QGZVFWFLSA-N 2 2 269.392 3.201 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786949 286013983 /nfs/dbraw/zinc/01/39/83/286013983.db2.gz PIRYRUPROZBWDK-UHOFOFEASA-N 2 2 296.842 3.148 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)c[nH+]1 ZINC000678235725 543498302 /nfs/dbraw/zinc/49/83/02/543498302.db2.gz NVVDRMIUTRIBFN-CYBMUJFWSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)c[nH+]1 ZINC000678235725 543498304 /nfs/dbraw/zinc/49/83/04/543498304.db2.gz NVVDRMIUTRIBFN-CYBMUJFWSA-N 2 2 288.420 3.054 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000678460876 543527868 /nfs/dbraw/zinc/52/78/68/543527868.db2.gz BYDVIOQYYUUSAB-PMPSAXMXSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000678460876 543527871 /nfs/dbraw/zinc/52/78/71/543527871.db2.gz BYDVIOQYYUUSAB-PMPSAXMXSA-N 2 2 261.413 3.346 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000678883039 543569060 /nfs/dbraw/zinc/56/90/60/543569060.db2.gz FXRNACDEKNDJSI-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000678883039 543569063 /nfs/dbraw/zinc/56/90/63/543569063.db2.gz FXRNACDEKNDJSI-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP c1cn(CC[NH2+][C@@H](C2CCC2)C2CCCCC2)c[nH+]1 ZINC000424266603 296630496 /nfs/dbraw/zinc/63/04/96/296630496.db2.gz XFQFMHJWAUCXQI-MRXNPFEDSA-N 2 2 261.413 3.222 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000555227106 289334371 /nfs/dbraw/zinc/33/43/71/289334371.db2.gz PLRUGXSNPMYUCY-JKSUJKDBSA-N 2 2 284.513 3.228 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1 ZINC000414101838 286370711 /nfs/dbraw/zinc/37/07/11/286370711.db2.gz CGXHLDWFBXVUMX-VBQJREDUSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC000414101838 286370715 /nfs/dbraw/zinc/37/07/15/286370715.db2.gz CGXHLDWFBXVUMX-VBQJREDUSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C(C)C)c(F)c1 ZINC000421826443 286375900 /nfs/dbraw/zinc/37/59/00/286375900.db2.gz SJVPCOHFIITXRM-SUMWQHHRSA-N 2 2 294.414 3.215 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C(C)C)c(F)c1 ZINC000421826443 286375901 /nfs/dbraw/zinc/37/59/01/286375901.db2.gz SJVPCOHFIITXRM-SUMWQHHRSA-N 2 2 294.414 3.215 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C12CCCC2 ZINC000085679808 286394815 /nfs/dbraw/zinc/39/48/15/286394815.db2.gz IPXGUFJPCXCXTR-YESZJQIVSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@H]1CCCC12CCC2 ZINC000423429060 304857073 /nfs/dbraw/zinc/85/70/73/304857073.db2.gz OSIREQRDEIFNCJ-IRXDYDNUSA-N 2 2 270.420 3.186 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCCC13CCCC3)CC2 ZINC000336040708 304859727 /nfs/dbraw/zinc/85/97/27/304859727.db2.gz AHXALDRQYXEGKG-CABCVRRESA-N 2 2 273.424 3.291 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422918060 287051862 /nfs/dbraw/zinc/05/18/62/287051862.db2.gz HGRNQGPQAMBRRW-WDMOLILDSA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803083 287104729 /nfs/dbraw/zinc/10/47/29/287104729.db2.gz NPRATVFQGQRIJY-LLVKDONJSA-N 2 2 287.329 3.243 20 0 CGADLP CC(C)[N@H+]1CC[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803083 287104734 /nfs/dbraw/zinc/10/47/34/287104734.db2.gz NPRATVFQGQRIJY-LLVKDONJSA-N 2 2 287.329 3.243 20 0 CGADLP C1=C(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000090798614 165243140 /nfs/dbraw/zinc/24/31/40/165243140.db2.gz BMAACFMVJVGYNR-UHFFFAOYSA-N 2 2 271.408 3.140 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC2CC2)n1-c1ccccc1 ZINC000092129182 165281734 /nfs/dbraw/zinc/28/17/34/165281734.db2.gz VTHOAWPRLYQMSF-UHFFFAOYSA-N 2 2 255.365 3.070 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000092738590 165312809 /nfs/dbraw/zinc/31/28/09/165312809.db2.gz APLGEJYYRVZGNU-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683378 287118836 /nfs/dbraw/zinc/11/88/36/287118836.db2.gz OLWDUIUPOPZMLN-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683378 287118837 /nfs/dbraw/zinc/11/88/37/287118837.db2.gz OLWDUIUPOPZMLN-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccoc1 ZINC000094869055 287123294 /nfs/dbraw/zinc/12/32/94/287123294.db2.gz SMCPPDLCHNQFCP-GFCCVEGCSA-N 2 2 250.386 3.193 20 0 CGADLP C[NH+](C)C1(CNc2[nH+]ccc3ccccc32)CCC1 ZINC000097934289 287125481 /nfs/dbraw/zinc/12/54/81/287125481.db2.gz XPDASKOCPHORHY-UHFFFAOYSA-N 2 2 255.365 3.131 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000116382018 287157294 /nfs/dbraw/zinc/15/72/94/287157294.db2.gz CRKOODWODJIDNT-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000116382018 287157296 /nfs/dbraw/zinc/15/72/96/287157296.db2.gz CRKOODWODJIDNT-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000125119212 287240172 /nfs/dbraw/zinc/24/01/72/287240172.db2.gz FVLLZDIVFIOXDS-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000284508664 196073036 /nfs/dbraw/zinc/07/30/36/196073036.db2.gz VYRZXQGVUHQSIS-WMLDXEAASA-N 2 2 287.451 3.385 20 0 CGADLP C[NH+](C)C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000020129443 171018086 /nfs/dbraw/zinc/01/80/86/171018086.db2.gz LQNRNTXGYFOVDO-RDJZCZTQSA-N 2 2 258.409 3.235 20 0 CGADLP Cc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)o1 ZINC000020186639 171051133 /nfs/dbraw/zinc/05/11/33/171051133.db2.gz VZLSYEJZPPNPFX-UHFFFAOYSA-N 2 2 269.348 3.036 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000020189742 171056150 /nfs/dbraw/zinc/05/61/50/171056150.db2.gz DFYLKOQYYVHAGT-ZDUSSCGKSA-N 2 2 250.386 3.113 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000020506115 171228421 /nfs/dbraw/zinc/22/84/21/171228421.db2.gz JUUZBQOSXDVJGT-NSHDSACASA-N 2 2 281.762 3.417 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@H](C)c1ccccc1)[NH+](C)C ZINC000021060338 171296871 /nfs/dbraw/zinc/29/68/71/171296871.db2.gz ITHGRDQDWPWZJM-RDJZCZTQSA-N 2 2 262.441 3.356 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000035274927 172095844 /nfs/dbraw/zinc/09/58/44/172095844.db2.gz KQRRZOSZOZXXJN-AWEZNQCLSA-N 2 2 271.408 3.359 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126683806 287270685 /nfs/dbraw/zinc/27/06/85/287270685.db2.gz FBBGPXIBKVDTRZ-IRXDYDNUSA-N 2 2 294.870 3.373 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408214 173184016 /nfs/dbraw/zinc/18/40/16/173184016.db2.gz BGMMYTOCUYNAGK-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408214 173184018 /nfs/dbraw/zinc/18/40/18/173184018.db2.gz BGMMYTOCUYNAGK-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP CCC1CCC([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000038028299 174016735 /nfs/dbraw/zinc/01/67/35/174016735.db2.gz YLYQZVOSPMBHLC-QQFBHYJXSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cs1 ZINC000038042000 174044193 /nfs/dbraw/zinc/04/41/93/174044193.db2.gz ZFNHNHDCCBVQEF-QWHCGFSZSA-N 2 2 281.469 3.224 20 0 CGADLP C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127456294 287288317 /nfs/dbraw/zinc/28/83/17/287288317.db2.gz NAPGYOUDCNIPQO-HNNXBMFYSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127456294 287288318 /nfs/dbraw/zinc/28/83/18/287288318.db2.gz NAPGYOUDCNIPQO-HNNXBMFYSA-N 2 2 292.386 3.460 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127541816 287289931 /nfs/dbraw/zinc/28/99/31/287289931.db2.gz NEWCLZHAGBMONI-CZUORRHYSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127541816 287289934 /nfs/dbraw/zinc/28/99/34/287289934.db2.gz NEWCLZHAGBMONI-CZUORRHYSA-N 2 2 264.388 3.003 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000040500745 174296820 /nfs/dbraw/zinc/29/68/20/174296820.db2.gz PIGVOWLNPNEAKC-HZPDHXFCSA-N 2 2 271.408 3.191 20 0 CGADLP c1ccc(C2CC([NH2+]CC[NH+]3CCCCCC3)C2)cc1 ZINC000040767772 174398348 /nfs/dbraw/zinc/39/83/48/174398348.db2.gz SZWKFPRFSBNQEL-UHFFFAOYSA-N 2 2 272.436 3.398 20 0 CGADLP CCC[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314710 176121248 /nfs/dbraw/zinc/12/12/48/176121248.db2.gz GBSJKVNBMYQVHO-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314710 176121249 /nfs/dbraw/zinc/12/12/49/176121249.db2.gz GBSJKVNBMYQVHO-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404365331 416552768 /nfs/dbraw/zinc/55/27/68/416552768.db2.gz PCWLZQVTFJVOFU-JSGCOSHPSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000404365331 416552771 /nfs/dbraw/zinc/55/27/71/416552771.db2.gz PCWLZQVTFJVOFU-JSGCOSHPSA-N 2 2 281.469 3.216 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000122346921 416503148 /nfs/dbraw/zinc/50/31/48/416503148.db2.gz HCIJJZFXOLBPMK-RWSFTLGLSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000122346921 416503155 /nfs/dbraw/zinc/50/31/55/416503155.db2.gz HCIJJZFXOLBPMK-RWSFTLGLSA-N 2 2 268.351 3.085 20 0 CGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccsc2)cc1 ZINC000414900991 416561074 /nfs/dbraw/zinc/56/10/74/416561074.db2.gz WRPNYORYWBDBAX-HOTGVXAUSA-N 2 2 290.407 3.123 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000130222740 287347986 /nfs/dbraw/zinc/34/79/86/287347986.db2.gz GGGUHSUAAJOGFR-HZPDHXFCSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000679395662 543634204 /nfs/dbraw/zinc/63/42/04/543634204.db2.gz ZNYKAIAXGBNHKK-CQSZACIVSA-N 2 2 293.370 3.429 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000680336352 543699779 /nfs/dbraw/zinc/69/97/79/543699779.db2.gz FYQLKIFWEXEPDD-IRXDYDNUSA-N 2 2 274.452 3.328 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681366991 543784054 /nfs/dbraw/zinc/78/40/54/543784054.db2.gz ITRNCSOGLGYUKR-XIRDDKMYSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681366991 543784056 /nfs/dbraw/zinc/78/40/56/543784056.db2.gz ITRNCSOGLGYUKR-XIRDDKMYSA-N 2 2 262.441 3.053 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000681137467 543770093 /nfs/dbraw/zinc/77/00/93/543770093.db2.gz OZGBJURJMNDWGJ-NVXWUHKLSA-N 2 2 272.436 3.365 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000681137467 543770094 /nfs/dbraw/zinc/77/00/94/543770094.db2.gz OZGBJURJMNDWGJ-NVXWUHKLSA-N 2 2 272.436 3.365 20 0 CGADLP CCn1cc[nH+]c1CNc1cccc2cc[nH+]cc21 ZINC000131110579 287370937 /nfs/dbraw/zinc/37/09/37/287370937.db2.gz RSFNOAHNMXHVLQ-UHFFFAOYSA-N 2 2 252.321 3.063 20 0 CGADLP CC[NH+](CC)CCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000683186325 543902451 /nfs/dbraw/zinc/90/24/51/543902451.db2.gz SVYXCBRBGUKHLX-UHFFFAOYSA-N 2 2 287.407 3.387 20 0 CGADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000683886833 543949697 /nfs/dbraw/zinc/94/96/97/543949697.db2.gz FAWPTYBPLXQBOS-ZDUSSCGKSA-N 2 2 299.374 3.071 20 0 CGADLP c1c(C[NH2+]CCCNc2cccc[nH+]2)[nH]c2ccccc12 ZINC000683928359 543955013 /nfs/dbraw/zinc/95/50/13/543955013.db2.gz BDDBOFNIKPVBGZ-UHFFFAOYSA-N 2 2 280.375 3.155 20 0 CGADLP Oc1cccc2c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000684572654 544014607 /nfs/dbraw/zinc/01/46/07/544014607.db2.gz UYRRTRAEIKLNER-LBPRGKRZSA-N 2 2 294.358 3.048 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684376648 543988667 /nfs/dbraw/zinc/98/86/67/543988667.db2.gz MKRRLZJXJIQMBR-BRWVUGGUSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684376648 543988670 /nfs/dbraw/zinc/98/86/70/543988670.db2.gz MKRRLZJXJIQMBR-BRWVUGGUSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cn3cccc(C)c3n2)c[nH+]1 ZINC000684391572 543991906 /nfs/dbraw/zinc/99/19/06/543991906.db2.gz ZHSBCGXJYBAGCY-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOCC3(CCCC3)C2)c[nH+]1 ZINC000684394463 543992998 /nfs/dbraw/zinc/99/29/98/543992998.db2.gz CXRYUCWGJUWIAG-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOCC3(CCCC3)C2)c[nH+]1 ZINC000684394463 543993001 /nfs/dbraw/zinc/99/30/01/543993001.db2.gz CXRYUCWGJUWIAG-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c[nH+]1 ZINC000684404465 543993667 /nfs/dbraw/zinc/99/36/67/543993667.db2.gz LZELMEZQBHYSNE-GOSISDBHSA-N 2 2 290.451 3.244 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000685582543 544087557 /nfs/dbraw/zinc/08/75/57/544087557.db2.gz VWINXFBEGJKLNH-IRXDYDNUSA-N 2 2 290.451 3.227 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000685582543 544087558 /nfs/dbraw/zinc/08/75/58/544087558.db2.gz VWINXFBEGJKLNH-IRXDYDNUSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662268 544093479 /nfs/dbraw/zinc/09/34/79/544093479.db2.gz DKJJZOPEIQJGTL-DFHBCGBQSA-N 2 2 281.403 3.180 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662268 544093482 /nfs/dbraw/zinc/09/34/82/544093482.db2.gz DKJJZOPEIQJGTL-DFHBCGBQSA-N 2 2 281.403 3.180 20 0 CGADLP c1ccc(NCCCC[NH2+]CC2Cc3ccccc3C2)[nH+]c1 ZINC000685840811 544100774 /nfs/dbraw/zinc/10/07/74/544100774.db2.gz UXFWYZDTNRUCPM-UHFFFAOYSA-N 2 2 295.430 3.278 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000354885553 227204093 /nfs/dbraw/zinc/20/40/93/227204093.db2.gz XNHBBHDKSWAGOF-UHFFFAOYSA-N 2 2 298.365 3.405 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216475 418937400 /nfs/dbraw/zinc/93/74/00/418937400.db2.gz WSPHOHPWSNDTBN-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216475 418937402 /nfs/dbraw/zinc/93/74/02/418937402.db2.gz WSPHOHPWSNDTBN-DOMZBBRYSA-N 2 2 278.827 3.259 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000652222158 418937676 /nfs/dbraw/zinc/93/76/76/418937676.db2.gz GQRXVGJRPYUUOC-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000652222158 418937678 /nfs/dbraw/zinc/93/76/78/418937678.db2.gz GQRXVGJRPYUUOC-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658339261 418943184 /nfs/dbraw/zinc/94/31/84/418943184.db2.gz PTTMASKQEZOQRU-AGIUHOORSA-N 2 2 274.399 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658339261 418943186 /nfs/dbraw/zinc/94/31/86/418943186.db2.gz PTTMASKQEZOQRU-AGIUHOORSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000665229470 419085115 /nfs/dbraw/zinc/08/51/15/419085115.db2.gz ZBGJEDPNMMNULC-ZANVPECISA-N 2 2 273.207 3.224 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1F ZINC000665249720 419092964 /nfs/dbraw/zinc/09/29/64/419092964.db2.gz XSRNVDXQEDRRMO-AWEZNQCLSA-N 2 2 268.351 3.277 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655857202 419124713 /nfs/dbraw/zinc/12/47/13/419124713.db2.gz SOWYLSDCSIDOGM-ZWKOTPCHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655857202 419124716 /nfs/dbraw/zinc/12/47/16/419124716.db2.gz SOWYLSDCSIDOGM-ZWKOTPCHSA-N 2 2 295.430 3.341 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)s1 ZINC000665277536 419099884 /nfs/dbraw/zinc/09/98/84/419099884.db2.gz DTBDTAIRODANBP-QUNCOHTASA-N 2 2 270.829 3.194 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892814 419104289 /nfs/dbraw/zinc/10/42/89/419104289.db2.gz NMETXNWZWKQAQZ-HNNXBMFYSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892814 419104293 /nfs/dbraw/zinc/10/42/93/419104293.db2.gz NMETXNWZWKQAQZ-HNNXBMFYSA-N 2 2 261.413 3.007 20 0 CGADLP C(C[N@@H+]1CC[C@@H](C2CCC2)C1)[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665288369 419107269 /nfs/dbraw/zinc/10/72/69/419107269.db2.gz KZOQCBCOYYPERH-QZTJIDSGSA-N 2 2 276.468 3.230 20 0 CGADLP C(C[N@H+]1CC[C@@H](C2CCC2)C1)[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665288369 419107271 /nfs/dbraw/zinc/10/72/71/419107271.db2.gz KZOQCBCOYYPERH-QZTJIDSGSA-N 2 2 276.468 3.230 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000665295453 419108737 /nfs/dbraw/zinc/10/87/37/419108737.db2.gz DPXCAYLOLIBPQP-CHWSQXEVSA-N 2 2 258.365 3.205 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC2(CCCCC2)O1 ZINC000653905191 419110207 /nfs/dbraw/zinc/11/02/07/419110207.db2.gz WCIQWYHAKCOBTJ-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC2(CCCCC2)O1 ZINC000653905191 419110210 /nfs/dbraw/zinc/11/02/10/419110210.db2.gz WCIQWYHAKCOBTJ-QGZVFWFLSA-N 2 2 294.483 3.286 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000655848915 419120283 /nfs/dbraw/zinc/12/02/83/419120283.db2.gz LJKBKSJJYNTMIV-XIRDDKMYSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000655848915 419120286 /nfs/dbraw/zinc/12/02/86/419120286.db2.gz LJKBKSJJYNTMIV-XIRDDKMYSA-N 2 2 258.409 3.354 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851038 419120723 /nfs/dbraw/zinc/12/07/23/419120723.db2.gz OOJIMZFDGMLMFE-LYYZXLFJSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851038 419120727 /nfs/dbraw/zinc/12/07/27/419120727.db2.gz OOJIMZFDGMLMFE-LYYZXLFJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000653673315 419069020 /nfs/dbraw/zinc/06/90/20/419069020.db2.gz SDJMJQZLEMQLJG-ZBFHGGJFSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C1CC1 ZINC000653673315 419069023 /nfs/dbraw/zinc/06/90/23/419069023.db2.gz SDJMJQZLEMQLJG-ZBFHGGJFSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655724293 419079427 /nfs/dbraw/zinc/07/94/27/419079427.db2.gz TVYMABCJTMEBNW-LEOMRAHMSA-N 2 2 294.483 3.044 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000655940072 419129315 /nfs/dbraw/zinc/12/93/15/419129315.db2.gz OQJJFSWRQJVHDI-UHFFFAOYSA-N 2 2 288.435 3.147 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000660415663 419139845 /nfs/dbraw/zinc/13/98/45/419139845.db2.gz HLQTYPKTGWHWBN-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000660415663 419139848 /nfs/dbraw/zinc/13/98/48/419139848.db2.gz HLQTYPKTGWHWBN-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](OC3CCC3)C2)c[nH+]1 ZINC000656271293 419162705 /nfs/dbraw/zinc/16/27/05/419162705.db2.gz GCZUTRCBZZPOAF-SFHVURJKSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](OC3CCC3)C2)c[nH+]1 ZINC000656271293 419162708 /nfs/dbraw/zinc/16/27/08/419162708.db2.gz GCZUTRCBZZPOAF-SFHVURJKSA-N 2 2 288.435 3.356 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000656276182 419163586 /nfs/dbraw/zinc/16/35/86/419163586.db2.gz BOBYSTHNRKVAIK-XWSJACJDSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000656276182 419163588 /nfs/dbraw/zinc/16/35/88/419163588.db2.gz BOBYSTHNRKVAIK-XWSJACJDSA-N 2 2 284.447 3.397 20 0 CGADLP Clc1ccc(Cl)c(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660582043 419166181 /nfs/dbraw/zinc/16/61/81/419166181.db2.gz NNJVOXAXDCBUJT-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP Clc1ccc(Cl)c(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000660582043 419166182 /nfs/dbraw/zinc/16/61/82/419166182.db2.gz NNJVOXAXDCBUJT-UHFFFAOYSA-N 2 2 296.201 3.248 20 0 CGADLP Cc1ccc([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)cc1 ZINC000657304383 419246315 /nfs/dbraw/zinc/24/63/15/419246315.db2.gz GPRCYOWFFNEUFF-SFHVURJKSA-N 2 2 281.403 3.379 20 0 CGADLP CC(C)COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657327732 419250588 /nfs/dbraw/zinc/25/05/88/419250588.db2.gz NLCPKTYWXGRARO-UHFFFAOYSA-N 2 2 299.418 3.154 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657384156 419266077 /nfs/dbraw/zinc/26/60/77/419266077.db2.gz MNBPTZOYNRAUOY-KBPBESRZSA-N 2 2 269.392 3.111 20 0 CGADLP Fc1ccc(CC2C[NH+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000656669957 419197111 /nfs/dbraw/zinc/19/71/11/419197111.db2.gz ZRAGBVBYORFAIG-UHFFFAOYSA-N 2 2 295.361 3.148 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675259 419198176 /nfs/dbraw/zinc/19/81/76/419198176.db2.gz BLFHEHYGGQNCQB-WFASDCNBSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675259 419198179 /nfs/dbraw/zinc/19/81/79/419198179.db2.gz BLFHEHYGGQNCQB-WFASDCNBSA-N 2 2 264.388 3.349 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C(F)F)C1 ZINC000656690680 419202795 /nfs/dbraw/zinc/20/27/95/419202795.db2.gz NLZKVRHECSWCKY-UHFFFAOYSA-N 2 2 296.405 3.342 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C(F)F)C1 ZINC000656690680 419202797 /nfs/dbraw/zinc/20/27/97/419202797.db2.gz NLZKVRHECSWCKY-UHFFFAOYSA-N 2 2 296.405 3.342 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1ccc(N(C)CC)[nH+]c1 ZINC000656779489 419217037 /nfs/dbraw/zinc/21/70/37/419217037.db2.gz ZXVBAWWMICUOAI-UHFFFAOYSA-N 2 2 284.407 3.416 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC1(F)F ZINC000666444363 419218016 /nfs/dbraw/zinc/21/80/16/419218016.db2.gz DYYQYFJYFYGMTF-PWSUYJOCSA-N 2 2 295.308 3.145 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1Oc1cccnc1 ZINC000656782963 419218243 /nfs/dbraw/zinc/21/82/43/419218243.db2.gz KJEQCFQCDARWON-UHFFFAOYSA-N 2 2 299.418 3.351 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1Oc1cccnc1 ZINC000656782963 419218246 /nfs/dbraw/zinc/21/82/46/419218246.db2.gz KJEQCFQCDARWON-UHFFFAOYSA-N 2 2 299.418 3.351 20 0 CGADLP CCCOc1c(C[N@H+](C)CC(C)(C)[NH3+])cccc1OCC ZINC000656783031 419218635 /nfs/dbraw/zinc/21/86/35/419218635.db2.gz MCYAEKVUZYYZAJ-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP CCCOc1c(C[N@@H+](C)CC(C)(C)[NH3+])cccc1OCC ZINC000656783031 419218638 /nfs/dbraw/zinc/21/86/38/419218638.db2.gz MCYAEKVUZYYZAJ-UHFFFAOYSA-N 2 2 294.439 3.043 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789444 419220376 /nfs/dbraw/zinc/22/03/76/419220376.db2.gz ZNBWRNDNZUJQNB-DSJULSIBSA-N 2 2 292.426 3.435 20 0 CGADLP C[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCc2ccccc21 ZINC000657427574 419275833 /nfs/dbraw/zinc/27/58/33/419275833.db2.gz UJBATLRYXCPMRO-LJQANCHMSA-N 2 2 295.430 3.213 20 0 CGADLP C[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCc2ccccc21 ZINC000657427573 419275989 /nfs/dbraw/zinc/27/59/89/419275989.db2.gz UJBATLRYXCPMRO-IBGZPJMESA-N 2 2 295.430 3.213 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(C)cc3)CCC2)n1C ZINC000657500004 419295442 /nfs/dbraw/zinc/29/54/42/419295442.db2.gz KJAFKBJLMGVRKE-UHFFFAOYSA-N 2 2 269.392 3.206 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000657526827 419298815 /nfs/dbraw/zinc/29/88/15/419298815.db2.gz MIAFXTTZQCFRGI-YLFCFFPRSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000657526827 419298817 /nfs/dbraw/zinc/29/88/17/419298817.db2.gz MIAFXTTZQCFRGI-YLFCFFPRSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(F)F ZINC000657671381 419325863 /nfs/dbraw/zinc/32/58/63/419325863.db2.gz UFUSPLHHZPZXIR-ZDUSSCGKSA-N 2 2 297.374 3.459 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3C(C)(C)C3(F)F)c[nH+]c12 ZINC000657739591 419334749 /nfs/dbraw/zinc/33/47/49/419334749.db2.gz ZWWTYFOTZKRULA-GFCCVEGCSA-N 2 2 279.334 3.024 20 0 CGADLP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657762245 419339118 /nfs/dbraw/zinc/33/91/18/419339118.db2.gz YMIQTLLXWWOQSY-ZDUSSCGKSA-N 2 2 278.362 3.181 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)c[nH+]1 ZINC000657854456 419389251 /nfs/dbraw/zinc/38/92/51/419389251.db2.gz UOHGSYIEXJYXGD-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657879579 419400289 /nfs/dbraw/zinc/40/02/89/419400289.db2.gz LREQZRNTCLDRMG-NEPJUHHUSA-N 2 2 262.388 3.130 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657879579 419400292 /nfs/dbraw/zinc/40/02/92/419400292.db2.gz LREQZRNTCLDRMG-NEPJUHHUSA-N 2 2 262.388 3.130 20 0 CGADLP CC(C)c1cccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000662266029 419376660 /nfs/dbraw/zinc/37/66/60/419376660.db2.gz VSXCVZGNUSBGQU-KRWDZBQOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000662266029 419376662 /nfs/dbraw/zinc/37/66/62/419376662.db2.gz VSXCVZGNUSBGQU-KRWDZBQOSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc2cnccc2o1 ZINC000657999930 419485174 /nfs/dbraw/zinc/48/51/74/419485174.db2.gz OSOYZUGAMDDAOV-IUDNXUCKSA-N 2 2 299.418 3.495 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCC34CC4)cn21 ZINC000658044398 419520250 /nfs/dbraw/zinc/52/02/50/419520250.db2.gz ZMNJTLAUPDNVBW-HNNXBMFYSA-N 2 2 269.392 3.108 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054580 419522920 /nfs/dbraw/zinc/52/29/20/419522920.db2.gz FJFNRTFNRSMCAG-SUMWQHHRSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc2c(c1)COC2 ZINC000658054580 419522931 /nfs/dbraw/zinc/52/29/31/419522931.db2.gz FJFNRTFNRSMCAG-SUMWQHHRSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059420 419531420 /nfs/dbraw/zinc/53/14/20/419531420.db2.gz JAMVTPNHNNMUCQ-DOTOQJQBSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059420 419531431 /nfs/dbraw/zinc/53/14/31/419531431.db2.gz JAMVTPNHNNMUCQ-DOTOQJQBSA-N 2 2 289.467 3.255 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000663514222 419638731 /nfs/dbraw/zinc/63/87/31/419638731.db2.gz PHFRAMUYVYKUOP-ZDUSSCGKSA-N 2 2 288.366 3.316 20 0 CGADLP C[C@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+]1CCCCC1 ZINC000663403803 419593878 /nfs/dbraw/zinc/59/38/78/419593878.db2.gz PVTJPYNRWLTGKQ-CQSZACIVSA-N 2 2 298.434 3.351 20 0 CGADLP COC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229219 419688918 /nfs/dbraw/zinc/68/89/18/419688918.db2.gz PNWJGGQMDAZRDA-FUHWJXTLSA-N 2 2 294.483 3.188 20 0 CGADLP COC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000658229219 419688929 /nfs/dbraw/zinc/68/89/29/419688929.db2.gz PNWJGGQMDAZRDA-FUHWJXTLSA-N 2 2 294.483 3.188 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC000658229687 419690240 /nfs/dbraw/zinc/69/02/40/419690240.db2.gz GAXLLLPOTQIOBE-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000658229687 419690250 /nfs/dbraw/zinc/69/02/50/419690250.db2.gz GAXLLLPOTQIOBE-JKSUJKDBSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212737202 287627457 /nfs/dbraw/zinc/62/74/57/287627457.db2.gz CUMKYRAWXCDTTO-QWRGUYRKSA-N 2 2 281.762 3.415 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000537059673 288513477 /nfs/dbraw/zinc/51/34/77/288513477.db2.gz SECKAUQBFRPTFN-GFCCVEGCSA-N 2 2 294.389 3.490 20 0 CGADLP CO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000318547960 261243440 /nfs/dbraw/zinc/24/34/40/261243440.db2.gz KHARPHTWPCLZJW-SJORKVTESA-N 2 2 299.418 3.084 20 0 CGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000521423189 262326084 /nfs/dbraw/zinc/32/60/84/262326084.db2.gz ZKCWAIMTFJLWRC-JTQLQIEISA-N 2 2 258.768 3.129 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037321625 270029356 /nfs/dbraw/zinc/02/93/56/270029356.db2.gz XPYQOMHHGILWTH-MSOLQXFVSA-N 2 2 274.452 3.110 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)s1 ZINC000041202557 270031043 /nfs/dbraw/zinc/03/10/43/270031043.db2.gz KAMNYOHPRUDONK-CHWSQXEVSA-N 2 2 266.454 3.445 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)s1 ZINC000041202557 270031045 /nfs/dbraw/zinc/03/10/45/270031045.db2.gz KAMNYOHPRUDONK-CHWSQXEVSA-N 2 2 266.454 3.445 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCSc3ccccc32)c[nH+]1 ZINC000045094505 270038336 /nfs/dbraw/zinc/03/83/36/270038336.db2.gz VDLHQMFHHLHPPE-HNNXBMFYSA-N 2 2 287.432 3.490 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000186246576 270065332 /nfs/dbraw/zinc/06/53/32/270065332.db2.gz TWJCHGGIURPQHK-AWEZNQCLSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000186875980 270067461 /nfs/dbraw/zinc/06/74/61/270067461.db2.gz MIZRDPUETHYZDE-KDOFPFPSSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000186875980 270067462 /nfs/dbraw/zinc/06/74/62/270067462.db2.gz MIZRDPUETHYZDE-KDOFPFPSSA-N 2 2 272.436 3.285 20 0 CGADLP CCc1nc([C@@H](C)[NH2+]CCC[NH+](CC)CC)cs1 ZINC000191837826 270076296 /nfs/dbraw/zinc/07/62/96/270076296.db2.gz MWTJIOVLDOQMGQ-GFCCVEGCSA-N 2 2 269.458 3.088 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccs1 ZINC000217629476 270085153 /nfs/dbraw/zinc/08/51/53/270085153.db2.gz BONFOSHIBYTLGY-MJBXVCDLSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccs1 ZINC000217629476 270085154 /nfs/dbraw/zinc/08/51/54/270085154.db2.gz BONFOSHIBYTLGY-MJBXVCDLSA-N 2 2 264.438 3.416 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222698893 270086048 /nfs/dbraw/zinc/08/60/48/270086048.db2.gz JMFNMZAUCOYETF-WBVHZDCISA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222698893 270086049 /nfs/dbraw/zinc/08/60/49/270086049.db2.gz JMFNMZAUCOYETF-WBVHZDCISA-N 2 2 290.451 3.466 20 0 CGADLP CC(C)C(C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000229533178 270088621 /nfs/dbraw/zinc/08/86/21/270088621.db2.gz HBIGBOBBHCVKLU-KBPBESRZSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)C(C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000229533178 270088622 /nfs/dbraw/zinc/08/86/22/270088622.db2.gz HBIGBOBBHCVKLU-KBPBESRZSA-N 2 2 252.446 3.129 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC1)Cc1ccccc1 ZINC000236860725 270089380 /nfs/dbraw/zinc/08/93/80/270089380.db2.gz FDGKYJRYCRDDIJ-CRAIPNDOSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000300417436 270091783 /nfs/dbraw/zinc/09/17/83/270091783.db2.gz UIZTWCIJBTVKBS-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000300417436 270091784 /nfs/dbraw/zinc/09/17/84/270091784.db2.gz UIZTWCIJBTVKBS-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000322500155 270093607 /nfs/dbraw/zinc/09/36/07/270093607.db2.gz FURCLOGCGCVNNV-WMLDXEAASA-N 2 2 287.407 3.338 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)s1 ZINC000521983300 270103434 /nfs/dbraw/zinc/10/34/34/270103434.db2.gz QWKWHAZTRGBPNR-DLBZAZTESA-N 2 2 286.444 3.210 20 0 CGADLP CC(C)CCC[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000525874685 270120419 /nfs/dbraw/zinc/12/04/19/270120419.db2.gz SVILCOIITJFMJF-QGZVFWFLSA-N 2 2 262.441 3.185 20 0 CGADLP CC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527805909 270137260 /nfs/dbraw/zinc/13/72/60/270137260.db2.gz IXKQXQQXATUZTK-XUJLQICISA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527805909 270137261 /nfs/dbraw/zinc/13/72/61/270137261.db2.gz IXKQXQQXATUZTK-XUJLQICISA-N 2 2 250.430 3.172 20 0 CGADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2cn1 ZINC000527805493 270137310 /nfs/dbraw/zinc/13/73/10/270137310.db2.gz ATOLMINBEZVKHO-IBGZPJMESA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2cn1 ZINC000527805493 270137311 /nfs/dbraw/zinc/13/73/11/270137311.db2.gz ATOLMINBEZVKHO-IBGZPJMESA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2c1 ZINC000527805826 270137435 /nfs/dbraw/zinc/13/74/35/270137435.db2.gz IKPKRFDXWMNYAN-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2c1 ZINC000527805826 270137436 /nfs/dbraw/zinc/13/74/36/270137436.db2.gz IKPKRFDXWMNYAN-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000527808984 270137599 /nfs/dbraw/zinc/13/75/99/270137599.db2.gz RTEKQCLTVZSFPF-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000527808984 270137600 /nfs/dbraw/zinc/13/76/00/270137600.db2.gz RTEKQCLTVZSFPF-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811194 270137767 /nfs/dbraw/zinc/13/77/67/270137767.db2.gz XFKOOHFDGOGPLH-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811194 270137768 /nfs/dbraw/zinc/13/77/68/270137768.db2.gz XFKOOHFDGOGPLH-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)C(C)C)c1 ZINC000527843135 270139074 /nfs/dbraw/zinc/13/90/74/270139074.db2.gz CKPMEEQLJAVTMS-MRXNPFEDSA-N 2 2 257.381 3.178 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951956 270146267 /nfs/dbraw/zinc/14/62/67/270146267.db2.gz RYTHXNNTYAQBLF-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527951956 270146268 /nfs/dbraw/zinc/14/62/68/270146268.db2.gz RYTHXNNTYAQBLF-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP CN(CCC[NH+]1CCCC1)c1[nH+]ccc2ccccc21 ZINC000527998963 270149691 /nfs/dbraw/zinc/14/96/91/270149691.db2.gz URWSDWCPMQQLBG-UHFFFAOYSA-N 2 2 269.392 3.157 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528009218 270151153 /nfs/dbraw/zinc/15/11/53/270151153.db2.gz HLIMCNNUPMPTKA-WMZOPIPTSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528009218 270151154 /nfs/dbraw/zinc/15/11/54/270151154.db2.gz HLIMCNNUPMPTKA-WMZOPIPTSA-N 2 2 270.420 3.280 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008413 270151182 /nfs/dbraw/zinc/15/11/82/270151182.db2.gz DQYQWLOBZAJWFW-PBHICJAKSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008413 270151183 /nfs/dbraw/zinc/15/11/83/270151183.db2.gz DQYQWLOBZAJWFW-PBHICJAKSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015454 270151538 /nfs/dbraw/zinc/15/15/38/270151538.db2.gz XNLPBLBZKFXJTH-CJNGLKHVSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015454 270151539 /nfs/dbraw/zinc/15/15/39/270151539.db2.gz XNLPBLBZKFXJTH-CJNGLKHVSA-N 2 2 274.408 3.060 20 0 CGADLP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528745477 270170843 /nfs/dbraw/zinc/17/08/43/270170843.db2.gz QPMDLVOJXLKJHY-INIZCTEOSA-N 2 2 287.382 3.290 20 0 CGADLP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528745477 270170844 /nfs/dbraw/zinc/17/08/44/270170844.db2.gz QPMDLVOJXLKJHY-INIZCTEOSA-N 2 2 287.382 3.290 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529643223 270186745 /nfs/dbraw/zinc/18/67/45/270186745.db2.gz XJYHMMVSBQLKHO-WBVHZDCISA-N 2 2 262.441 3.482 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529643223 270186746 /nfs/dbraw/zinc/18/67/46/270186746.db2.gz XJYHMMVSBQLKHO-WBVHZDCISA-N 2 2 262.441 3.482 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530220984 270196522 /nfs/dbraw/zinc/19/65/22/270196522.db2.gz VITCFBUOBKBERX-HZPDHXFCSA-N 2 2 258.409 3.402 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530219318 270196052 /nfs/dbraw/zinc/19/60/52/270196052.db2.gz LHHNQSAHFACIGQ-XYPHTWIQSA-N 2 2 270.420 3.499 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218840 270196088 /nfs/dbraw/zinc/19/60/88/270196088.db2.gz JVQSHXALMMVAMC-HUUCEWRRSA-N 2 2 276.811 3.202 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC)c1 ZINC000530222211 270196411 /nfs/dbraw/zinc/19/64/11/270196411.db2.gz QYADVEMKXBGLDK-CVEARBPZSA-N 2 2 274.408 3.021 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C(C)C)c1 ZINC000530221427 270196709 /nfs/dbraw/zinc/19/67/09/270196709.db2.gz FIONNENSHJJCEY-BPQIPLTHSA-N 2 2 290.451 3.049 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1cc(C)ccc1C ZINC000530226025 270196829 /nfs/dbraw/zinc/19/68/29/270196829.db2.gz ZRSRNDKVFLLSJM-NUJGCVRESA-N 2 2 290.451 3.111 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530226339 270196989 /nfs/dbraw/zinc/19/69/89/270196989.db2.gz ZXXBPJDSPGGQBV-LSDHHAIUSA-N 2 2 276.811 3.202 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950078 270211363 /nfs/dbraw/zinc/21/13/63/270211363.db2.gz PBIASDBFKYREGD-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000531950078 270211364 /nfs/dbraw/zinc/21/13/64/270211364.db2.gz PBIASDBFKYREGD-IUODEOHRSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531598 270217224 /nfs/dbraw/zinc/21/72/24/270217224.db2.gz RWSPNOLRWZTONM-LSDHHAIUSA-N 2 2 272.436 3.168 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000532531598 270217225 /nfs/dbraw/zinc/21/72/25/270217225.db2.gz RWSPNOLRWZTONM-LSDHHAIUSA-N 2 2 272.436 3.168 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000133604380 273752167 /nfs/dbraw/zinc/75/21/67/273752167.db2.gz OCULIQHSPQBYSD-MAZHCROVSA-N 2 2 296.842 3.148 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247965 274078347 /nfs/dbraw/zinc/07/83/47/274078347.db2.gz QYCIMXDOLMEPEN-WBAXXEDZSA-N 2 2 284.403 3.052 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422888152 274095169 /nfs/dbraw/zinc/09/51/69/274095169.db2.gz MGQMWXNNKYHBAH-JTQLQIEISA-N 2 2 291.782 3.007 20 0 CGADLP CSCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280145477 274175904 /nfs/dbraw/zinc/17/59/04/274175904.db2.gz CKIQVVSSCBXRGJ-UHFFFAOYSA-N 2 2 289.448 3.345 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2ccccc21)[N@H+](C)C1CC1 ZINC000105489305 274224811 /nfs/dbraw/zinc/22/48/11/274224811.db2.gz UWUPNVRQBLJBIJ-AWEZNQCLSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2ccccc21)[N@@H+](C)C1CC1 ZINC000105489305 274224813 /nfs/dbraw/zinc/22/48/13/274224813.db2.gz UWUPNVRQBLJBIJ-AWEZNQCLSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035732856 274254568 /nfs/dbraw/zinc/25/45/68/274254568.db2.gz ZFIROVXAADHTJG-QWHCGFSZSA-N 2 2 255.365 3.321 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccon1 ZINC000349836706 274518838 /nfs/dbraw/zinc/51/88/38/274518838.db2.gz UCBSXHLLOQCIKX-STQMWFEESA-N 2 2 282.347 3.272 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1CCC(C)CC1)CCC2 ZINC000343256159 274824023 /nfs/dbraw/zinc/82/40/23/274824023.db2.gz CEHSNNSDJZXELJ-AVVWSFFYSA-N 2 2 275.440 3.485 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000043326550 274882370 /nfs/dbraw/zinc/88/23/70/274882370.db2.gz JGISSADZACGENQ-AAEUAGOBSA-N 2 2 282.840 3.219 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000311396155 275391182 /nfs/dbraw/zinc/39/11/82/275391182.db2.gz ZQBBXTOEIURUGC-UHFFFAOYSA-N 2 2 264.457 3.421 20 0 CGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[NH+]1CCCCC1 ZINC000245836543 275549646 /nfs/dbraw/zinc/54/96/46/275549646.db2.gz CRPLSZAEAHXWBE-BZUAXINKSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)C[NH+](Cc1cccc2[nH+]ccn21)CC(C)C ZINC000342691888 275569159 /nfs/dbraw/zinc/56/91/59/275569159.db2.gz NKOQJLLWJLFIDG-UHFFFAOYSA-N 2 2 259.397 3.448 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789778 276158043 /nfs/dbraw/zinc/15/80/43/276158043.db2.gz KSSGDMXRLXKIEQ-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789778 276158044 /nfs/dbraw/zinc/15/80/44/276158044.db2.gz KSSGDMXRLXKIEQ-HUUCEWRRSA-N 2 2 297.446 3.099 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423300332 276242963 /nfs/dbraw/zinc/24/29/63/276242963.db2.gz RHAMSCUJQXDKMO-HUUCEWRRSA-N 2 2 278.444 3.138 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000423235823 276266645 /nfs/dbraw/zinc/26/66/45/276266645.db2.gz BJINKWKOBCHGRT-CQSZACIVSA-N 2 2 264.438 3.039 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423397311 276270518 /nfs/dbraw/zinc/27/05/18/276270518.db2.gz UTPQBINBTLLYLW-CXAGYDPISA-N 2 2 285.435 3.441 20 0 CGADLP C[NH+](C)[C@H](CNc1cc[nH+]c2ccncc12)c1cccs1 ZINC000267167839 276866748 /nfs/dbraw/zinc/86/67/48/276866748.db2.gz BKIAGSSKJYISQV-OAHLLOKOSA-N 2 2 298.415 3.406 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000354890267 277213553 /nfs/dbraw/zinc/21/35/53/277213553.db2.gz KRKWFACMVINJGP-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000354890267 277213556 /nfs/dbraw/zinc/21/35/56/277213556.db2.gz KRKWFACMVINJGP-MRXNPFEDSA-N 2 2 282.472 3.142 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H]1C ZINC000367439785 277710870 /nfs/dbraw/zinc/71/08/70/277710870.db2.gz XAYWVKVUWQNDCO-VNHYZAJKSA-N 2 2 261.413 3.134 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488465033 277822189 /nfs/dbraw/zinc/82/21/89/277822189.db2.gz UCCMOTLHAYHKEL-BBWFWOEESA-N 2 2 292.492 3.409 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000395009306 288005249 /nfs/dbraw/zinc/00/52/49/288005249.db2.gz LAYAVYGLKVTOPQ-JOCBIADPSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000396585983 288014346 /nfs/dbraw/zinc/01/43/46/288014346.db2.gz AHNLGRVWIMFVMU-SUMWQHHRSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000397234241 288022103 /nfs/dbraw/zinc/02/21/03/288022103.db2.gz AMDAIDWBSKIKLN-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000397234241 288022104 /nfs/dbraw/zinc/02/21/04/288022104.db2.gz AMDAIDWBSKIKLN-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453393118 278220091 /nfs/dbraw/zinc/22/00/91/278220091.db2.gz IAJPZFNGEPCRQK-KRWDZBQOSA-N 2 2 287.451 3.387 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453393118 278220092 /nfs/dbraw/zinc/22/00/92/278220092.db2.gz IAJPZFNGEPCRQK-KRWDZBQOSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000447577115 278225126 /nfs/dbraw/zinc/22/51/26/278225126.db2.gz FQUHUWDVMIWYOL-ZQIUZPCESA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000447577115 278225127 /nfs/dbraw/zinc/22/51/27/278225127.db2.gz FQUHUWDVMIWYOL-ZQIUZPCESA-N 2 2 264.457 3.418 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]CCc1ccc(Cl)cc1 ZINC000397537319 288024449 /nfs/dbraw/zinc/02/44/49/288024449.db2.gz QGYCULQPJXGYNV-UHFFFAOYSA-N 2 2 274.795 3.418 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414955496 278236167 /nfs/dbraw/zinc/23/61/67/278236167.db2.gz NELBEMUKVBXAMJ-CVEARBPZSA-N 2 2 258.409 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H](C)C1CCCCC1 ZINC000449393443 278271250 /nfs/dbraw/zinc/27/12/50/278271250.db2.gz CBMNTCSHUFWTRV-SOLBZPMBSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H](C)C1CCCCC1 ZINC000449393443 278271251 /nfs/dbraw/zinc/27/12/51/278271251.db2.gz CBMNTCSHUFWTRV-SOLBZPMBSA-N 2 2 296.499 3.028 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000397892251 288033876 /nfs/dbraw/zinc/03/38/76/288033876.db2.gz NGURNYQDRHWETK-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397945779 288035741 /nfs/dbraw/zinc/03/57/41/288035741.db2.gz LWLAIGJBGRFXKF-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397945779 288035743 /nfs/dbraw/zinc/03/57/43/288035743.db2.gz LWLAIGJBGRFXKF-KRWDZBQOSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449258441 278376606 /nfs/dbraw/zinc/37/66/06/278376606.db2.gz MWVLAYSWWGJRCC-TUVASFSCSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000370246629 278497954 /nfs/dbraw/zinc/49/79/54/278497954.db2.gz HHUICHXOVDTFLH-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000420365031 278569374 /nfs/dbraw/zinc/56/93/74/278569374.db2.gz KRJNVZXXPJTGGD-SUNKGSAMSA-N 2 2 286.341 3.182 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc21 ZINC000313266759 278609891 /nfs/dbraw/zinc/60/98/91/278609891.db2.gz JIXLXNGTUWPRLP-DYVFJYSZSA-N 2 2 269.392 3.191 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459366055 279011352 /nfs/dbraw/zinc/01/13/52/279011352.db2.gz CSVGHFQOAIKEJY-CHWSQXEVSA-N 2 2 287.382 3.110 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459366055 279011353 /nfs/dbraw/zinc/01/13/53/279011353.db2.gz CSVGHFQOAIKEJY-CHWSQXEVSA-N 2 2 287.382 3.110 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166331533 279014238 /nfs/dbraw/zinc/01/42/38/279014238.db2.gz BUWGOTSQMJSTNK-ABXQLRGKSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166331533 279014240 /nfs/dbraw/zinc/01/42/40/279014240.db2.gz BUWGOTSQMJSTNK-ABXQLRGKSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2[nH+]cn(CCC[NH+]3CCCCC3)c2C[C@@H]1C ZINC000451343652 279023729 /nfs/dbraw/zinc/02/37/29/279023729.db2.gz PQGCCANUFOTUBT-CABCVRRESA-N 2 2 275.440 3.130 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCC[N@@H+]1C ZINC000346795235 279126296 /nfs/dbraw/zinc/12/62/96/279126296.db2.gz HWXIVEUTOBZZDE-CSMYWGQOSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCC[N@H+]1C ZINC000346795235 279126298 /nfs/dbraw/zinc/12/62/98/279126298.db2.gz HWXIVEUTOBZZDE-CSMYWGQOSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422748589 279254113 /nfs/dbraw/zinc/25/41/13/279254113.db2.gz VFINKHYJHXSLPX-BFYDXBDKSA-N 2 2 282.472 3.092 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181917693 279314312 /nfs/dbraw/zinc/31/43/12/279314312.db2.gz YKPYWFRBSCOARN-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181917693 279314313 /nfs/dbraw/zinc/31/43/13/279314313.db2.gz YKPYWFRBSCOARN-GDBMZVCRSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000250453185 279315065 /nfs/dbraw/zinc/31/50/65/279315065.db2.gz ZUNDELNAFARTEO-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000250453185 279315066 /nfs/dbraw/zinc/31/50/66/279315066.db2.gz ZUNDELNAFARTEO-OWCLPIDISA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250221344 279323624 /nfs/dbraw/zinc/32/36/24/279323624.db2.gz DVPYAAAKGWVJAZ-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250221344 279323625 /nfs/dbraw/zinc/32/36/25/279323625.db2.gz DVPYAAAKGWVJAZ-JSGCOSHPSA-N 2 2 264.438 3.199 20 0 CGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000338197635 279463149 /nfs/dbraw/zinc/46/31/49/279463149.db2.gz PNNONTYFLKHYSS-INIZCTEOSA-N 2 2 294.389 3.418 20 0 CGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000353930269 279750020 /nfs/dbraw/zinc/75/00/20/279750020.db2.gz GIVADTPPODUSIK-CVEARBPZSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527630889 288177473 /nfs/dbraw/zinc/17/74/73/288177473.db2.gz BOBCRYPJXRCTQX-RCBQFDQVSA-N 2 2 283.419 3.369 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000527659158 288183991 /nfs/dbraw/zinc/18/39/91/288183991.db2.gz HPHHRUGCUBUONW-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000527659158 288183994 /nfs/dbraw/zinc/18/39/94/288183994.db2.gz HPHHRUGCUBUONW-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@@H+]1C ZINC000453193932 280106692 /nfs/dbraw/zinc/10/66/92/280106692.db2.gz NKRBDOPMOLERNQ-KSSFIOAISA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CCc3ccccc3CC2)CCC[N@H+]1C ZINC000453193932 280106696 /nfs/dbraw/zinc/10/66/96/280106696.db2.gz NKRBDOPMOLERNQ-KSSFIOAISA-N 2 2 272.436 3.006 20 0 CGADLP C/C(Cl)=C\C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000528460019 288201819 /nfs/dbraw/zinc/20/18/19/288201819.db2.gz QHEWCJWXWUSMCQ-UWUHSAQLSA-N 2 2 279.815 3.151 20 0 CGADLP Cc1cnccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000528522192 288206942 /nfs/dbraw/zinc/20/69/42/288206942.db2.gz SNCKNHDYBXEWBW-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000427575640 280270052 /nfs/dbraw/zinc/27/00/52/280270052.db2.gz WFFFVVMCJNACEP-INIZCTEOSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423183832 280335051 /nfs/dbraw/zinc/33/50/51/280335051.db2.gz HWYDULKIWQKWJU-WFASDCNBSA-N 2 2 268.351 3.004 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423178670 281111822 /nfs/dbraw/zinc/11/18/22/281111822.db2.gz CKUXXAZDYTYGKQ-CZUORRHYSA-N 2 2 258.409 3.141 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccco2)[nH+]1 ZINC000362088733 281245347 /nfs/dbraw/zinc/24/53/47/281245347.db2.gz XZVNPPMDIIFQLO-AWEZNQCLSA-N 2 2 271.364 3.060 20 0 CGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccco2)[nH+]1 ZINC000362088733 281245348 /nfs/dbraw/zinc/24/53/48/281245348.db2.gz XZVNPPMDIIFQLO-AWEZNQCLSA-N 2 2 271.364 3.060 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188881613 281292961 /nfs/dbraw/zinc/29/29/61/281292961.db2.gz HRSRGJHRRFSNBU-GRDNDAEWSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188881613 281292963 /nfs/dbraw/zinc/29/29/63/281292963.db2.gz HRSRGJHRRFSNBU-GRDNDAEWSA-N 2 2 286.419 3.033 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877557 281304393 /nfs/dbraw/zinc/30/43/93/281304393.db2.gz XYEXFUGYBMHPAL-YCPHGPKFSA-N 2 2 281.403 3.344 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423355417 281304453 /nfs/dbraw/zinc/30/44/53/281304453.db2.gz FKRDNNWVEVOFLR-OYNZBZHQSA-N 2 2 258.409 3.131 20 0 CGADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000417840658 281357614 /nfs/dbraw/zinc/35/76/14/281357614.db2.gz LKPKZSPWHZKAED-KBPBESRZSA-N 2 2 294.464 3.042 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000427874894 281377220 /nfs/dbraw/zinc/37/72/20/281377220.db2.gz NVPGPWLVFODZSM-GXTWGEPZSA-N 2 2 285.391 3.094 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531722732 288343149 /nfs/dbraw/zinc/34/31/49/288343149.db2.gz FBVKMGMVPKLLPW-ZBFHGGJFSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(OC(C)(C)C)c1 ZINC000531722732 288343152 /nfs/dbraw/zinc/34/31/52/288343152.db2.gz FBVKMGMVPKLLPW-ZBFHGGJFSA-N 2 2 290.451 3.212 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531728926 288344245 /nfs/dbraw/zinc/34/42/45/288344245.db2.gz MRHXWPMTSJTAED-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531728926 288344247 /nfs/dbraw/zinc/34/42/47/288344247.db2.gz MRHXWPMTSJTAED-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446959 288361505 /nfs/dbraw/zinc/36/15/05/288361505.db2.gz GONQVAKBDUQLTD-IIAWOOMASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446959 288361507 /nfs/dbraw/zinc/36/15/07/288361507.db2.gz GONQVAKBDUQLTD-IIAWOOMASA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464492 288362755 /nfs/dbraw/zinc/36/27/55/288362755.db2.gz VVZLHCIVICXOJW-XJKSGUPXSA-N 2 2 260.425 3.024 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464492 288362756 /nfs/dbraw/zinc/36/27/56/288362756.db2.gz VVZLHCIVICXOJW-XJKSGUPXSA-N 2 2 260.425 3.024 20 0 CGADLP Cc1nc(N[C@H](C)C[NH+]2CCCCCC2)c(C)c(C)[nH+]1 ZINC000302364395 281867859 /nfs/dbraw/zinc/86/78/59/281867859.db2.gz FYOGFTMUFPDTND-GFCCVEGCSA-N 2 2 276.428 3.078 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544046 288366542 /nfs/dbraw/zinc/36/65/42/288366542.db2.gz CNYNCZHLOGPTFG-CJNGLKHVSA-N 2 2 294.870 3.448 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)Cc1cccc(Cl)c1 ZINC000532544046 288366543 /nfs/dbraw/zinc/36/65/43/288366543.db2.gz CNYNCZHLOGPTFG-CJNGLKHVSA-N 2 2 294.870 3.448 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000548880867 289027054 /nfs/dbraw/zinc/02/70/54/289027054.db2.gz FNABXGNLOZUAHB-MHORFTMASA-N 2 2 272.436 3.376 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000550713004 289082791 /nfs/dbraw/zinc/08/27/91/289082791.db2.gz RJPNZOMFXXGCJJ-QZTJIDSGSA-N 2 2 296.499 3.170 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000550713004 289082794 /nfs/dbraw/zinc/08/27/94/289082794.db2.gz RJPNZOMFXXGCJJ-QZTJIDSGSA-N 2 2 296.499 3.170 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551818684 289136006 /nfs/dbraw/zinc/13/60/06/289136006.db2.gz QVQUJYBCBWJTFE-XIKOKIGWSA-N 2 2 299.393 3.382 20 0 CGADLP Cc1n[nH]cc1C1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000551825008 289136027 /nfs/dbraw/zinc/13/60/27/289136027.db2.gz DHJHYQSWHPHCRE-UHFFFAOYSA-N 2 2 298.434 3.234 20 0 CGADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+](C)C)cc1F ZINC000554090806 289257674 /nfs/dbraw/zinc/25/76/74/289257674.db2.gz ZAJRCLZMXRGGLS-HOCLYGCPSA-N 2 2 294.414 3.012 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554348403 289272845 /nfs/dbraw/zinc/27/28/45/289272845.db2.gz AVWMQTZLOUTMNO-OTWHNJEPSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554348403 289272846 /nfs/dbraw/zinc/27/28/46/289272846.db2.gz AVWMQTZLOUTMNO-OTWHNJEPSA-N 2 2 284.447 3.429 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1 ZINC000556879619 289416661 /nfs/dbraw/zinc/41/66/61/289416661.db2.gz FYEZWKIRLOPTEH-KURKYZTESA-N 2 2 290.451 3.322 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000558219318 289478916 /nfs/dbraw/zinc/47/89/16/289478916.db2.gz ABMDQKDZTKBZRJ-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000558699761 289514663 /nfs/dbraw/zinc/51/46/63/289514663.db2.gz NPUHZAPXHKXIFN-RRFJBIMHSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000337503190 289691461 /nfs/dbraw/zinc/69/14/61/289691461.db2.gz CMCWCSLJPOGMFG-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CCC2 ZINC000361665172 292854785 /nfs/dbraw/zinc/85/47/85/292854785.db2.gz VDRAPDNZSYTUOH-LQKXBSAESA-N 2 2 275.440 3.483 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346611398 294338254 /nfs/dbraw/zinc/33/82/54/294338254.db2.gz ZAPPWLNDSHHLOW-LZLYRXPVSA-N 2 2 292.467 3.156 20 0 CGADLP CO[C@H](C)[C@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346611398 294338257 /nfs/dbraw/zinc/33/82/57/294338257.db2.gz ZAPPWLNDSHHLOW-LZLYRXPVSA-N 2 2 292.467 3.156 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc(C)[nH+]c12 ZINC000443523881 295333227 /nfs/dbraw/zinc/33/32/27/295333227.db2.gz RPMZFDCDKZXNMO-KGLIPLIRSA-N 2 2 299.418 3.081 20 0 CGADLP COc1cccc2c(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc(C)[nH+]c12 ZINC000443523881 295333235 /nfs/dbraw/zinc/33/32/35/295333235.db2.gz RPMZFDCDKZXNMO-KGLIPLIRSA-N 2 2 299.418 3.081 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423354077 301655241 /nfs/dbraw/zinc/65/52/41/301655241.db2.gz CMVVEXUTRXXPMQ-SGMGOOAPSA-N 2 2 298.377 3.245 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000423214440 302136716 /nfs/dbraw/zinc/13/67/16/302136716.db2.gz MNRDBOQSKKQTNX-WBVHZDCISA-N 2 2 258.409 3.178 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCC1 ZINC000423334399 303359834 /nfs/dbraw/zinc/35/98/34/303359834.db2.gz SXCPWHZKNWDCBO-ZDUSSCGKSA-N 2 2 280.799 3.025 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000564420012 322030377 /nfs/dbraw/zinc/03/03/77/322030377.db2.gz NDKYEHIIGSPFKU-AJNGGQMLSA-N 2 2 275.440 3.317 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000564420012 322030378 /nfs/dbraw/zinc/03/03/78/322030378.db2.gz NDKYEHIIGSPFKU-AJNGGQMLSA-N 2 2 275.440 3.317 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000564894014 322048321 /nfs/dbraw/zinc/04/83/21/322048321.db2.gz RUEKKOKZAHZDFO-CYBMUJFWSA-N 2 2 296.349 3.481 20 0 CGADLP COCC[N@H+](CCc1cc[nH+]cc1C)C[C@@H]1CC=CCC1 ZINC000565597653 322082964 /nfs/dbraw/zinc/08/29/64/322082964.db2.gz VWQQURZVLBTRNX-QGZVFWFLSA-N 2 2 288.435 3.237 20 0 CGADLP COCC[N@@H+](CCc1cc[nH+]cc1C)C[C@@H]1CC=CCC1 ZINC000565597653 322082967 /nfs/dbraw/zinc/08/29/67/322082967.db2.gz VWQQURZVLBTRNX-QGZVFWFLSA-N 2 2 288.435 3.237 20 0 CGADLP CCCC1CCC(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000565686678 322086914 /nfs/dbraw/zinc/08/69/14/322086914.db2.gz TVNBRLWXJZOAOB-NRXISQOPSA-N 2 2 275.440 3.463 20 0 CGADLP CCCC1CCC(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000565686678 322086917 /nfs/dbraw/zinc/08/69/17/322086917.db2.gz TVNBRLWXJZOAOB-NRXISQOPSA-N 2 2 275.440 3.463 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566423629 322122366 /nfs/dbraw/zinc/12/23/66/322122366.db2.gz CZDANQKUSWCLQP-UONOGXRCSA-N 2 2 278.827 3.317 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566423629 322122368 /nfs/dbraw/zinc/12/23/68/322122368.db2.gz CZDANQKUSWCLQP-UONOGXRCSA-N 2 2 278.827 3.317 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566423629 322122370 /nfs/dbraw/zinc/12/23/70/322122370.db2.gz CZDANQKUSWCLQP-UONOGXRCSA-N 2 2 278.827 3.317 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566423629 322122372 /nfs/dbraw/zinc/12/23/72/322122372.db2.gz CZDANQKUSWCLQP-UONOGXRCSA-N 2 2 278.827 3.317 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000566498867 322127114 /nfs/dbraw/zinc/12/71/14/322127114.db2.gz IVWIULURQAWWBF-SJLPKXTDSA-N 2 2 283.419 3.402 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000566983327 322145576 /nfs/dbraw/zinc/14/55/76/322145576.db2.gz CTCUNLLXKQOXMQ-GJZGRUSLSA-N 2 2 288.439 3.105 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000566983327 322145573 /nfs/dbraw/zinc/14/55/73/322145573.db2.gz CTCUNLLXKQOXMQ-GJZGRUSLSA-N 2 2 288.439 3.105 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000566984172 322145731 /nfs/dbraw/zinc/14/57/31/322145731.db2.gz FDHYTSYHEREEQI-INIZCTEOSA-N 2 2 271.408 3.230 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000567574845 322168521 /nfs/dbraw/zinc/16/85/21/322168521.db2.gz PQRGSKDBQAEYMW-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000567574845 322168522 /nfs/dbraw/zinc/16/85/22/322168522.db2.gz PQRGSKDBQAEYMW-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)n1C ZINC000568273295 322202348 /nfs/dbraw/zinc/20/23/48/322202348.db2.gz QFQQKDAPLMIZAU-GFCCVEGCSA-N 2 2 269.392 3.457 20 0 CGADLP CC1CCC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000569287025 322242051 /nfs/dbraw/zinc/24/20/51/322242051.db2.gz KNXXCQPKKYTDNU-IRHLINNNSA-N 2 2 252.446 3.418 20 0 CGADLP CC1CCC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000569287025 322242053 /nfs/dbraw/zinc/24/20/53/322242053.db2.gz KNXXCQPKKYTDNU-IRHLINNNSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000570640551 322278544 /nfs/dbraw/zinc/27/85/44/322278544.db2.gz ITFMDTMDBIJURJ-MHORFTMASA-N 2 2 296.499 3.433 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000571058431 322288844 /nfs/dbraw/zinc/28/88/44/322288844.db2.gz WAZBZLMTWTWVCD-ABAIWWIYSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000571058431 322288845 /nfs/dbraw/zinc/28/88/45/322288845.db2.gz WAZBZLMTWTWVCD-ABAIWWIYSA-N 2 2 290.436 3.040 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571578339 322302113 /nfs/dbraw/zinc/30/21/13/322302113.db2.gz ISBZVALPMCUGNC-MDASCCDHSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571578339 322302115 /nfs/dbraw/zinc/30/21/15/322302115.db2.gz ISBZVALPMCUGNC-MDASCCDHSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571578339 322302117 /nfs/dbraw/zinc/30/21/17/322302117.db2.gz ISBZVALPMCUGNC-MDASCCDHSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571578339 322302119 /nfs/dbraw/zinc/30/21/19/322302119.db2.gz ISBZVALPMCUGNC-MDASCCDHSA-N 2 2 284.447 3.405 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721270 322306135 /nfs/dbraw/zinc/30/61/35/322306135.db2.gz GMCYINBGKVPKMI-AEFFLSMTSA-N 2 2 290.451 3.458 20 0 CGADLP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1(C)C ZINC000571721270 322306137 /nfs/dbraw/zinc/30/61/37/322306137.db2.gz GMCYINBGKVPKMI-AEFFLSMTSA-N 2 2 290.451 3.458 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)s1 ZINC000571915893 322311582 /nfs/dbraw/zinc/31/15/82/322311582.db2.gz MQNHMPSUWBNAHY-HNNXBMFYSA-N 2 2 287.432 3.438 20 0 CGADLP Cc1cnc([C@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)s1 ZINC000571915896 322311810 /nfs/dbraw/zinc/31/18/10/322311810.db2.gz MQNHMPSUWBNAHY-OAHLLOKOSA-N 2 2 287.432 3.438 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572539213 322342750 /nfs/dbraw/zinc/34/27/50/322342750.db2.gz YZHXOQZUJTUTRY-DOTOQJQBSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572539213 322342754 /nfs/dbraw/zinc/34/27/54/322342754.db2.gz YZHXOQZUJTUTRY-DOTOQJQBSA-N 2 2 283.419 3.231 20 0 CGADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000572749621 322352946 /nfs/dbraw/zinc/35/29/46/322352946.db2.gz ZIDAABOGBMQCOD-DOTOQJQBSA-N 2 2 297.402 3.135 20 0 CGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)c(C)c1 ZINC000573459509 322389580 /nfs/dbraw/zinc/38/95/80/322389580.db2.gz HJZGSPWQJFPPSX-UHFFFAOYSA-N 2 2 287.407 3.116 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502950 322391302 /nfs/dbraw/zinc/39/13/02/322391302.db2.gz KHJSXHIEUCFERW-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573502950 322391304 /nfs/dbraw/zinc/39/13/04/322391304.db2.gz KHJSXHIEUCFERW-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000582295346 328952160 /nfs/dbraw/zinc/95/21/60/328952160.db2.gz BUCVGWLDAPCQGW-IAQYHMDHSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000582483741 329095974 /nfs/dbraw/zinc/09/59/74/329095974.db2.gz DCIHSMPBHKYMFQ-GOSISDBHSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000582483741 329095976 /nfs/dbraw/zinc/09/59/76/329095976.db2.gz DCIHSMPBHKYMFQ-GOSISDBHSA-N 2 2 288.435 3.356 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367439578 533713250 /nfs/dbraw/zinc/71/32/50/533713250.db2.gz VPKZTVANQVQGEI-CYBMUJFWSA-N 2 2 285.391 3.079 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576397243 335198371 /nfs/dbraw/zinc/19/83/71/335198371.db2.gz ZLKHUPYSZSNLFP-KURKYZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576397243 335198372 /nfs/dbraw/zinc/19/83/72/335198372.db2.gz ZLKHUPYSZSNLFP-KURKYZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576397243 335198374 /nfs/dbraw/zinc/19/83/74/335198374.db2.gz ZLKHUPYSZSNLFP-KURKYZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576397243 335198376 /nfs/dbraw/zinc/19/83/76/335198376.db2.gz ZLKHUPYSZSNLFP-KURKYZTESA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000576575736 335220527 /nfs/dbraw/zinc/22/05/27/335220527.db2.gz ZYBBQQBKWNFMBB-XKQJLSEDSA-N 2 2 298.434 3.302 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)[C@H]1CCC[NH2+]C1 ZINC000576805411 335249462 /nfs/dbraw/zinc/24/94/62/335249462.db2.gz WSKAFUQBVXRQOU-AGIUHOORSA-N 2 2 295.496 3.479 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000577050763 335289976 /nfs/dbraw/zinc/28/99/76/335289976.db2.gz KTELUGNZNAUHCH-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000577050763 335289978 /nfs/dbraw/zinc/28/99/78/335289978.db2.gz KTELUGNZNAUHCH-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000580618502 335303066 /nfs/dbraw/zinc/30/30/66/335303066.db2.gz XRDNGPVUXONVNU-UXDQUXDASA-N 2 2 290.451 3.223 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccoc1 ZINC000178701591 335445823 /nfs/dbraw/zinc/44/58/23/335445823.db2.gz YUYYRNYKTUAIKD-LBPRGKRZSA-N 2 2 269.348 3.439 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2c(C)cccc21 ZINC000581127542 336012021 /nfs/dbraw/zinc/01/20/21/336012021.db2.gz AJLQERWPULGOSR-UHFFFAOYSA-N 2 2 294.402 3.362 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2c3ccccc3O[C@@H]2C)c[nH+]1 ZINC000581158966 336016814 /nfs/dbraw/zinc/01/68/14/336016814.db2.gz OHYHEZFFHKNLOW-RDTXWAMCSA-N 2 2 282.387 3.434 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198748 336023636 /nfs/dbraw/zinc/02/36/36/336023636.db2.gz UAVZEXVKHDECTP-BDAKNGLRSA-N 2 2 278.343 3.079 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198748 336023637 /nfs/dbraw/zinc/02/36/37/336023637.db2.gz UAVZEXVKHDECTP-BDAKNGLRSA-N 2 2 278.343 3.079 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337626 336052496 /nfs/dbraw/zinc/05/24/96/336052496.db2.gz RRNKVLNZWLPANI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337626 336052497 /nfs/dbraw/zinc/05/24/97/336052497.db2.gz RRNKVLNZWLPANI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337626 336052498 /nfs/dbraw/zinc/05/24/98/336052498.db2.gz RRNKVLNZWLPANI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337626 336052499 /nfs/dbraw/zinc/05/24/99/336052499.db2.gz RRNKVLNZWLPANI-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000381890436 336076182 /nfs/dbraw/zinc/07/61/82/336076182.db2.gz QTTJKEUMHGRMBQ-INDMIFKZSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC000381890436 336076184 /nfs/dbraw/zinc/07/61/84/336076184.db2.gz QTTJKEUMHGRMBQ-INDMIFKZSA-N 2 2 284.447 3.429 20 0 CGADLP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000385853029 336158017 /nfs/dbraw/zinc/15/80/17/336158017.db2.gz QGASNJSZMOHSFN-GDBMZVCRSA-N 2 2 273.424 3.075 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000449139412 533785998 /nfs/dbraw/zinc/78/59/98/533785998.db2.gz KZBBAUDZVBRCGY-DZKIICNBSA-N 2 2 292.492 3.457 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000440633821 533847492 /nfs/dbraw/zinc/84/74/92/533847492.db2.gz CBQSYRBHBUBGPA-KGLIPLIRSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000440633821 533847495 /nfs/dbraw/zinc/84/74/95/533847495.db2.gz CBQSYRBHBUBGPA-KGLIPLIRSA-N 2 2 297.402 3.282 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423559830 533884896 /nfs/dbraw/zinc/88/48/96/533884896.db2.gz PHTSTHDNODHERL-YPMHNXCESA-N 2 2 282.815 3.141 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)COC2 ZINC000423377803 533888666 /nfs/dbraw/zinc/88/86/66/533888666.db2.gz FLVVVOUFSLMVQK-GUYCJALGSA-N 2 2 288.435 3.146 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414933224 533950162 /nfs/dbraw/zinc/95/01/62/533950162.db2.gz UDHAUQWBDOBJHW-RCMYXZNBSA-N 2 2 288.435 3.076 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2n1 ZINC000367999661 533991693 /nfs/dbraw/zinc/99/16/93/533991693.db2.gz XEMJBNUAMGEKOY-GXTWGEPZSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2ccccc2n1 ZINC000367999661 533991701 /nfs/dbraw/zinc/99/17/01/533991701.db2.gz XEMJBNUAMGEKOY-GXTWGEPZSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414182604 533991814 /nfs/dbraw/zinc/99/18/14/533991814.db2.gz LUWUFRXVJBYHBK-BFQNTYOBSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000414182604 533991822 /nfs/dbraw/zinc/99/18/22/533991822.db2.gz LUWUFRXVJBYHBK-BFQNTYOBSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000427872735 533992175 /nfs/dbraw/zinc/99/21/75/533992175.db2.gz DOQKGHHMRYGFJE-SUMWQHHRSA-N 2 2 281.403 3.037 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1csc(Cl)c1 ZINC000423356002 533992778 /nfs/dbraw/zinc/99/27/78/533992778.db2.gz GHJKEXSPRHTRKE-ATZCPNFKSA-N 2 2 258.818 3.050 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000449369304 534111419 /nfs/dbraw/zinc/11/14/19/534111419.db2.gz BTIPYHGTQWZWIW-OBTMHIKCSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000449369304 534111431 /nfs/dbraw/zinc/11/14/31/534111431.db2.gz BTIPYHGTQWZWIW-OBTMHIKCSA-N 2 2 276.399 3.130 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]CCc3cn(C)c[nH+]3)oc2c1 ZINC000414125078 534474127 /nfs/dbraw/zinc/47/41/27/534474127.db2.gz LVBTUKBTADSMGP-ZDUSSCGKSA-N 2 2 283.375 3.368 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)cccc1F)CCC2 ZINC000368692364 534507875 /nfs/dbraw/zinc/50/78/75/534507875.db2.gz CFEYODSZMIHLJV-GFCCVEGCSA-N 2 2 291.345 3.137 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(C)c1)CCC2 ZINC000449168894 534508584 /nfs/dbraw/zinc/50/85/84/534508584.db2.gz NHWPPXKLESNKGR-CQSZACIVSA-N 2 2 275.421 3.229 20 0 CGADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)c1 ZINC000368514246 534510125 /nfs/dbraw/zinc/51/01/25/534510125.db2.gz MCQZFCINWJSZTF-SJLPKXTDSA-N 2 2 287.451 3.183 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000337879431 521643097 /nfs/dbraw/zinc/64/30/97/521643097.db2.gz QOGNXMYFZNTWQI-FMKPAKJESA-N 2 2 276.424 3.225 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000337879431 521643100 /nfs/dbraw/zinc/64/31/00/521643100.db2.gz QOGNXMYFZNTWQI-FMKPAKJESA-N 2 2 276.424 3.225 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccncc1F ZINC000449060176 534684883 /nfs/dbraw/zinc/68/48/83/534684883.db2.gz FBRZVIMXLPTMDO-UHFFFAOYSA-N 2 2 298.365 3.059 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423500656 534756271 /nfs/dbraw/zinc/75/62/71/534756271.db2.gz CWHPPOCFRRWGOV-AYOQOUSVSA-N 2 2 280.415 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)[C@@H]1C[NH3+] ZINC000156092608 524236605 /nfs/dbraw/zinc/23/66/05/524236605.db2.gz LORUGZCLUZRDCW-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@@H]1C[NH3+] ZINC000156092608 524236612 /nfs/dbraw/zinc/23/66/12/524236612.db2.gz LORUGZCLUZRDCW-BXUZGUMPSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000156444896 524302243 /nfs/dbraw/zinc/30/22/43/524302243.db2.gz RELXMEZMOKPTOA-ZFWWWQNUSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000156444896 524302252 /nfs/dbraw/zinc/30/22/52/524302252.db2.gz RELXMEZMOKPTOA-ZFWWWQNUSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cncs1 ZINC000151325648 525532625 /nfs/dbraw/zinc/53/26/25/525532625.db2.gz AEMKTBYCZQPDQT-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571634 525567512 /nfs/dbraw/zinc/56/75/12/525567512.db2.gz KTPALQQKZSVNMP-ZIBATOQPSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000156571634 525567522 /nfs/dbraw/zinc/56/75/22/525567522.db2.gz KTPALQQKZSVNMP-ZIBATOQPSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC000084463970 526228700 /nfs/dbraw/zinc/22/87/00/526228700.db2.gz IIDVDCZOCWQCSN-GJZGRUSLSA-N 2 2 287.451 3.465 20 0 CGADLP c1c[nH+]c(CNc2cccc(C[NH+]3CCCCC3)c2)[nH]1 ZINC000156487302 526406623 /nfs/dbraw/zinc/40/66/23/526406623.db2.gz FAOGUMWETIHOIR-UHFFFAOYSA-N 2 2 270.380 3.008 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccoc1 ZINC000423326237 527809653 /nfs/dbraw/zinc/80/96/53/527809653.db2.gz QUJDYQVDONWETK-HUUCEWRRSA-N 2 2 250.386 3.084 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)s2)C1 ZINC000438850934 527819718 /nfs/dbraw/zinc/81/97/18/527819718.db2.gz JDUDBRMFCKOEMH-LBPRGKRZSA-N 2 2 284.494 3.244 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)s2)C1 ZINC000438850934 527819724 /nfs/dbraw/zinc/81/97/24/527819724.db2.gz JDUDBRMFCKOEMH-LBPRGKRZSA-N 2 2 284.494 3.244 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000438850934 527819732 /nfs/dbraw/zinc/81/97/32/527819732.db2.gz JDUDBRMFCKOEMH-LBPRGKRZSA-N 2 2 284.494 3.244 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC)s2)C1 ZINC000438850934 527819735 /nfs/dbraw/zinc/81/97/35/527819735.db2.gz JDUDBRMFCKOEMH-LBPRGKRZSA-N 2 2 284.494 3.244 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000443848984 528106189 /nfs/dbraw/zinc/10/61/89/528106189.db2.gz CECVASMJBFADDC-CABCVRRESA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000358171103 528119850 /nfs/dbraw/zinc/11/98/50/528119850.db2.gz STVQMHIEYSPCPX-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000358171103 528119855 /nfs/dbraw/zinc/11/98/55/528119855.db2.gz STVQMHIEYSPCPX-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000365269551 528154522 /nfs/dbraw/zinc/15/45/22/528154522.db2.gz CZWJDQPEEKCAAO-YESZJQIVSA-N 2 2 293.455 3.097 20 0 CGADLP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000365269551 528154527 /nfs/dbraw/zinc/15/45/27/528154527.db2.gz CZWJDQPEEKCAAO-YESZJQIVSA-N 2 2 293.455 3.097 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427873158 528209014 /nfs/dbraw/zinc/20/90/14/528209014.db2.gz ZDBZURUYTADOQA-GOEBONIOSA-N 2 2 299.418 3.336 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000423332698 528209215 /nfs/dbraw/zinc/20/92/15/528209215.db2.gz RBEYALFLRORMLN-MNOVXSKESA-N 2 2 270.804 3.125 20 0 CGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]cn1C(C)C)CC(C)C ZINC000424134357 528246041 /nfs/dbraw/zinc/24/60/41/528246041.db2.gz NJWWSIBIHRRSOT-MRXNPFEDSA-N 2 2 294.487 3.310 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423242852 528332546 /nfs/dbraw/zinc/33/25/46/528332546.db2.gz JKWCXUDDMRKGID-LBPRGKRZSA-N 2 2 276.380 3.010 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423374087 528422016 /nfs/dbraw/zinc/42/20/16/528422016.db2.gz HQMISEWIYYNHCX-BDAKNGLRSA-N 2 2 291.258 3.159 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000414937864 528420147 /nfs/dbraw/zinc/42/01/47/528420147.db2.gz CPMMCABMGXTPPM-MRXNPFEDSA-N 2 2 298.430 3.353 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000423392076 528423980 /nfs/dbraw/zinc/42/39/80/528423980.db2.gz XJCZYUIUNUWNHY-CHWSQXEVSA-N 2 2 254.443 3.423 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCc1ccc(OC)cc1)C1CC1 ZINC000155838221 528515280 /nfs/dbraw/zinc/51/52/80/528515280.db2.gz WMENOYJOBSSHPM-OAHLLOKOSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCc1ccc(OC)cc1)C1CC1 ZINC000155838221 528515281 /nfs/dbraw/zinc/51/52/81/528515281.db2.gz WMENOYJOBSSHPM-OAHLLOKOSA-N 2 2 290.451 3.090 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000423261575 528519482 /nfs/dbraw/zinc/51/94/82/528519482.db2.gz KESNKSSWDOIDII-NWDGAFQWSA-N 2 2 254.805 3.364 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1Cl ZINC000423261578 528520041 /nfs/dbraw/zinc/52/00/41/528520041.db2.gz KESNKSSWDOIDII-VXGBXAGGSA-N 2 2 254.805 3.364 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423277712 528533836 /nfs/dbraw/zinc/53/38/36/528533836.db2.gz PYAWAZQIXYPNQB-RNCFNFMXSA-N 2 2 258.768 3.113 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1cc(C2CC2)cc[nH+]1 ZINC000424184056 528628332 /nfs/dbraw/zinc/62/83/32/528628332.db2.gz WYOKNCVPXJBPOT-UHFFFAOYSA-N 2 2 256.353 3.349 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000423304301 528823073 /nfs/dbraw/zinc/82/30/73/528823073.db2.gz YIDUCRQGKHIKBL-NEPJUHHUSA-N 2 2 298.402 3.011 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423296469 528823551 /nfs/dbraw/zinc/82/35/51/528823551.db2.gz GXXDWAONOVQXDE-PWSUYJOCSA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436251473 528823809 /nfs/dbraw/zinc/82/38/09/528823809.db2.gz IXJYOENTGBWPHC-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436251473 528823812 /nfs/dbraw/zinc/82/38/12/528823812.db2.gz IXJYOENTGBWPHC-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000414128153 529009844 /nfs/dbraw/zinc/00/98/44/529009844.db2.gz RGJGAXFBGNNKCR-MRXNPFEDSA-N 2 2 263.429 3.301 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000177796764 529015293 /nfs/dbraw/zinc/01/52/93/529015293.db2.gz ZQQKHEGRYWGAIH-AEFFLSMTSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000177796764 529015297 /nfs/dbraw/zinc/01/52/97/529015297.db2.gz ZQQKHEGRYWGAIH-AEFFLSMTSA-N 2 2 272.436 3.253 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000449072815 529170306 /nfs/dbraw/zinc/17/03/06/529170306.db2.gz GRZRIRHJBHBARX-MRXNPFEDSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000423547255 529202402 /nfs/dbraw/zinc/20/24/02/529202402.db2.gz FYEPUKWSBXIMAX-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368024158 529207273 /nfs/dbraw/zinc/20/72/73/529207273.db2.gz VIMCVEIRCBQZHU-HOCLYGCPSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCC1 ZINC000449317852 529209749 /nfs/dbraw/zinc/20/97/49/529209749.db2.gz DWZOAEKQGHMWQP-OAHLLOKOSA-N 2 2 270.380 3.317 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423128542 529253022 /nfs/dbraw/zinc/25/30/22/529253022.db2.gz KWBOSCUUIKACLB-SWLSCSKDSA-N 2 2 264.438 3.029 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000128425665 535064140 /nfs/dbraw/zinc/06/41/40/535064140.db2.gz TVWZIEVLCNGSKS-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000128425665 535064145 /nfs/dbraw/zinc/06/41/45/535064145.db2.gz TVWZIEVLCNGSKS-CYBMUJFWSA-N 2 2 293.436 3.208 20 0 CGADLP CCC(CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837604 535077900 /nfs/dbraw/zinc/07/79/00/535077900.db2.gz AKAMKGBITVWCIB-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CCC(CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837604 535077905 /nfs/dbraw/zinc/07/79/05/535077905.db2.gz AKAMKGBITVWCIB-GOSISDBHSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000482080291 535358672 /nfs/dbraw/zinc/35/86/72/535358672.db2.gz JDCCOJBLPGVAJR-SJORKVTESA-N 2 2 282.472 3.021 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000482080291 535358673 /nfs/dbraw/zinc/35/86/73/535358673.db2.gz JDCCOJBLPGVAJR-SJORKVTESA-N 2 2 282.472 3.021 20 0 CGADLP CCCc1csc(C[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000494181153 535451500 /nfs/dbraw/zinc/45/15/00/535451500.db2.gz ZTANUMPIHDLGNJ-UHFFFAOYSA-N 2 2 275.421 3.131 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494946420 536173008 /nfs/dbraw/zinc/17/30/08/536173008.db2.gz HVINACGSESURJD-MAVJXHJTSA-N 2 2 296.418 3.191 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494946420 536173011 /nfs/dbraw/zinc/17/30/11/536173011.db2.gz HVINACGSESURJD-MAVJXHJTSA-N 2 2 296.418 3.191 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000729682647 571929262 /nfs/dbraw/zinc/92/92/62/571929262.db2.gz XPOWPZOIPVNGPZ-KRWDZBQOSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000729682647 571929263 /nfs/dbraw/zinc/92/92/63/571929263.db2.gz XPOWPZOIPVNGPZ-KRWDZBQOSA-N 2 2 266.388 3.147 20 0 CGADLP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000731450511 572413161 /nfs/dbraw/zinc/41/31/61/572413161.db2.gz DWKGJRCHASDPLT-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000731450511 572413166 /nfs/dbraw/zinc/41/31/66/572413166.db2.gz DWKGJRCHASDPLT-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC1CC1 ZINC000394561669 572468366 /nfs/dbraw/zinc/46/83/66/572468366.db2.gz LFIIYCSSDCQUNY-CRAIPNDOSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC1CC1 ZINC000394561669 572468369 /nfs/dbraw/zinc/46/83/69/572468369.db2.gz LFIIYCSSDCQUNY-CRAIPNDOSA-N 2 2 272.436 3.287 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000742370404 572568316 /nfs/dbraw/zinc/56/83/16/572568316.db2.gz RIHVSJXKSUQLQA-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000742370404 572568320 /nfs/dbraw/zinc/56/83/20/572568320.db2.gz RIHVSJXKSUQLQA-KRWDZBQOSA-N 2 2 296.414 3.156 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000726604953 572588763 /nfs/dbraw/zinc/58/87/63/572588763.db2.gz CHTBITAGLGYVHO-KSVUCXBSSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000726604953 572588767 /nfs/dbraw/zinc/58/87/67/572588767.db2.gz CHTBITAGLGYVHO-KSVUCXBSSA-N 2 2 258.409 3.164 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]3c3ccccc3)cn2)c[nH+]1 ZINC000750046285 573076975 /nfs/dbraw/zinc/07/69/75/573076975.db2.gz WSEOGBFRZHHZNX-KRWDZBQOSA-N 2 2 290.370 3.214 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]3c3ccccc3)cn2)c[nH+]1 ZINC000750046285 573076982 /nfs/dbraw/zinc/07/69/82/573076982.db2.gz WSEOGBFRZHHZNX-KRWDZBQOSA-N 2 2 290.370 3.214 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1csc(C(F)(F)F)c1 ZINC000924538247 618806948 /nfs/dbraw/zinc/80/69/48/618806948.db2.gz HOCXZFCWWRUJNG-VIFPVBQESA-N 2 2 280.359 3.369 20 0 CGADLP CSCC1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926689757 618823344 /nfs/dbraw/zinc/82/33/44/618823344.db2.gz RGTYNLKSUKFPQG-LSDHHAIUSA-N 2 2 282.497 3.126 20 0 CGADLP CSCC1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926689757 618823347 /nfs/dbraw/zinc/82/33/47/618823347.db2.gz RGTYNLKSUKFPQG-LSDHHAIUSA-N 2 2 282.497 3.126 20 0 CGADLP COCCCC1(C[NH2+]C[C@H](C)[NH+]2CCCCC2)CCC1 ZINC000892649637 618886804 /nfs/dbraw/zinc/88/68/04/618886804.db2.gz ADOKOMZFTVOGBB-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1sccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000311768440 618917764 /nfs/dbraw/zinc/91/77/64/618917764.db2.gz AKUQSSODIAYRBY-AWEZNQCLSA-N 2 2 277.437 3.458 20 0 CGADLP Cc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)nc(C2CCC2)[nH+]1 ZINC000893120490 619000303 /nfs/dbraw/zinc/00/03/03/619000303.db2.gz ZPHQMKVIQUJPOJ-ZDUSSCGKSA-N 2 2 286.423 3.115 20 0 CGADLP Cc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(C2CCC2)[nH+]1 ZINC000893120490 619000305 /nfs/dbraw/zinc/00/03/05/619000305.db2.gz ZPHQMKVIQUJPOJ-ZDUSSCGKSA-N 2 2 286.423 3.115 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925676118 619124935 /nfs/dbraw/zinc/12/49/35/619124935.db2.gz PNPMVRJTKKOZSI-HZPDHXFCSA-N 2 2 274.383 3.077 20 0 CGADLP CC[C@@H](OCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925714183 619159545 /nfs/dbraw/zinc/15/95/45/619159545.db2.gz WJEZORUPYGKTML-IAGOWNOFSA-N 2 2 288.435 3.029 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000925756325 619220299 /nfs/dbraw/zinc/22/02/99/619220299.db2.gz KXJTXJTUISPFNR-AWEZNQCLSA-N 2 2 280.362 3.155 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000925755870 619220456 /nfs/dbraw/zinc/22/04/56/619220456.db2.gz ICOCPYQRUDBIFB-HNNXBMFYSA-N 2 2 280.362 3.155 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000925757706 619220935 /nfs/dbraw/zinc/22/09/35/619220935.db2.gz IGDHAWVBIDZIPD-GFCCVEGCSA-N 2 2 293.480 3.286 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000925757745 619221171 /nfs/dbraw/zinc/22/11/71/619221171.db2.gz JEQJJYYFHUSVML-HNNXBMFYSA-N 2 2 296.842 3.231 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054111192 619264285 /nfs/dbraw/zinc/26/42/85/619264285.db2.gz XHGVRCDBMQPDMR-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054111192 619264287 /nfs/dbraw/zinc/26/42/87/619264287.db2.gz XHGVRCDBMQPDMR-UHFFFAOYSA-N 2 2 264.388 3.002 20 0 CGADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ncccc1Cl ZINC000924875416 619385768 /nfs/dbraw/zinc/38/57/68/619385768.db2.gz ZZHDLOZKMGJDAS-AWEZNQCLSA-N 2 2 292.814 3.371 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CC(C(F)F)C2)CC1 ZINC000895110307 619733852 /nfs/dbraw/zinc/73/38/52/619733852.db2.gz IBKHQMCQAAJGOT-AEBJDNRDSA-N 2 2 295.377 3.202 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706369 619873351 /nfs/dbraw/zinc/87/33/51/619873351.db2.gz JGXQVIYFQUETQV-IRXDYDNUSA-N 2 2 287.407 3.029 20 0 CGADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)o1 ZINC000896196387 619964574 /nfs/dbraw/zinc/96/45/74/619964574.db2.gz ZIDSDFKDKMTAEO-UHFFFAOYSA-N 2 2 285.391 3.368 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050267214 620285286 /nfs/dbraw/zinc/28/52/86/620285286.db2.gz FXGJJEVBGCOYQU-ROUUACIJSA-N 2 2 288.435 3.352 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000925302771 620392407 /nfs/dbraw/zinc/39/24/07/620392407.db2.gz ILPVQMFMERUJFO-CQSZACIVSA-N 2 2 290.455 3.132 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000054602266 620577711 /nfs/dbraw/zinc/57/77/11/620577711.db2.gz SUMOTADPRNZRSP-YHWZYXNKSA-N 2 2 282.790 3.323 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000054602266 620577712 /nfs/dbraw/zinc/57/77/12/620577712.db2.gz SUMOTADPRNZRSP-YHWZYXNKSA-N 2 2 282.790 3.323 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000924731283 620582302 /nfs/dbraw/zinc/58/23/02/620582302.db2.gz IUXURUBJAXQUER-AWEZNQCLSA-N 2 2 282.391 3.495 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000902428747 621314201 /nfs/dbraw/zinc/31/42/01/621314201.db2.gz HORXXDKAIGBCPM-KGLIPLIRSA-N 2 2 282.815 3.098 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000902435857 621318250 /nfs/dbraw/zinc/31/82/50/621318250.db2.gz WCIMLQGTLFFNSE-KKBVYLPWSA-N 2 2 276.399 3.119 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435291 621318475 /nfs/dbraw/zinc/31/84/75/621318475.db2.gz AVNSXZZYNSSKJN-NIKGAXFTSA-N 2 2 280.415 3.140 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902469308 621340241 /nfs/dbraw/zinc/34/02/41/621340241.db2.gz WNXJXSPCYMNPAK-VJUNAUMWSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2sccc21 ZINC000902469856 621340835 /nfs/dbraw/zinc/34/08/35/621340835.db2.gz RTNSQGQVVBFNRA-SAUGFPQOSA-N 2 2 262.422 3.169 20 0 CGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482801 621352765 /nfs/dbraw/zinc/35/27/65/621352765.db2.gz NXGDOTYAZDHFDH-PBHICJAKSA-N 2 2 273.424 3.055 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902483552 621353100 /nfs/dbraw/zinc/35/31/00/621353100.db2.gz RKFUWFOEBVQJJY-JKSUJKDBSA-N 2 2 261.413 3.045 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000902759491 621428837 /nfs/dbraw/zinc/42/88/37/621428837.db2.gz YMWWCFWFEYFIDK-BZUAXINKSA-N 2 2 293.455 3.235 20 0 CGADLP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000902764498 621431132 /nfs/dbraw/zinc/43/11/32/621431132.db2.gz FYUZLRRMHDQQCY-IRXDYDNUSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N(C)C1CC1 ZINC000902794734 621451264 /nfs/dbraw/zinc/45/12/64/621451264.db2.gz YQGNRKJDQPNTOT-CABCVRRESA-N 2 2 298.434 3.006 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)[nH+]c1 ZINC000902835287 621467713 /nfs/dbraw/zinc/46/77/13/621467713.db2.gz CYRPYHPRRDXWRJ-QDMKHBRRSA-N 2 2 259.397 3.052 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]1C ZINC000903075371 621558719 /nfs/dbraw/zinc/55/87/19/621558719.db2.gz UUCODGGPHRABKC-FXUDXRNXSA-N 2 2 263.429 3.324 20 0 CGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199482 621623577 /nfs/dbraw/zinc/62/35/77/621623577.db2.gz ZIOXFIDQLLGGRY-RDTXWAMCSA-N 2 2 299.418 3.013 20 0 CGADLP c1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)c2ccccn2)cc1 ZINC000903740693 621800916 /nfs/dbraw/zinc/80/09/16/621800916.db2.gz JVJMSVXYAVXABW-VQIMIIECSA-N 2 2 295.430 3.150 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cccnc2Cl)CCC1 ZINC000903810337 621813330 /nfs/dbraw/zinc/81/33/30/621813330.db2.gz BDEQYYSJKVQXMO-CQSZACIVSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccnc2Cl)CCC1 ZINC000903810337 621813332 /nfs/dbraw/zinc/81/33/32/621813332.db2.gz BDEQYYSJKVQXMO-CQSZACIVSA-N 2 2 293.842 3.219 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903878894 621825269 /nfs/dbraw/zinc/82/52/69/621825269.db2.gz MROQOJVLXJTJLK-ZIAGYGMSSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]([NH3+])CC(F)F)cc1 ZINC000903878894 621825272 /nfs/dbraw/zinc/82/52/72/621825272.db2.gz MROQOJVLXJTJLK-ZIAGYGMSSA-N 2 2 268.351 3.114 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]([NH3+])CC(F)F ZINC000903885441 621826577 /nfs/dbraw/zinc/82/65/77/621826577.db2.gz HUHMNFRCPHSLLF-NSHDSACASA-N 2 2 296.283 3.120 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]([NH3+])CC(F)F ZINC000903885441 621826581 /nfs/dbraw/zinc/82/65/81/621826581.db2.gz HUHMNFRCPHSLLF-NSHDSACASA-N 2 2 296.283 3.120 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]([NH3+])CC(F)F ZINC000903885440 621826963 /nfs/dbraw/zinc/82/69/63/621826963.db2.gz HUHMNFRCPHSLLF-LLVKDONJSA-N 2 2 296.283 3.120 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]([NH3+])CC(F)F ZINC000903885440 621826965 /nfs/dbraw/zinc/82/69/65/621826965.db2.gz HUHMNFRCPHSLLF-LLVKDONJSA-N 2 2 296.283 3.120 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884141 621827006 /nfs/dbraw/zinc/82/70/06/621827006.db2.gz SOWPKWNRVIFBNL-CYBMUJFWSA-N 2 2 274.330 3.020 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]([NH3+])CC(F)F ZINC000903884141 621827007 /nfs/dbraw/zinc/82/70/07/621827007.db2.gz SOWPKWNRVIFBNL-CYBMUJFWSA-N 2 2 274.330 3.020 20 0 CGADLP CC(C)CCC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903897772 621828964 /nfs/dbraw/zinc/82/89/64/621828964.db2.gz GCGBLIYCHVUUBD-ZDUSSCGKSA-N 2 2 262.388 3.117 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccc(OC)cc2Cl)CC1 ZINC000903947012 621839581 /nfs/dbraw/zinc/83/95/81/621839581.db2.gz IRJMYTSCUUTBLV-UHFFFAOYSA-N 2 2 282.815 3.052 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000903946662 621839789 /nfs/dbraw/zinc/83/97/89/621839789.db2.gz ZBRYULWBDRDSQQ-UHFFFAOYSA-N 2 2 281.469 3.045 20 0 CGADLP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000903948931 621840603 /nfs/dbraw/zinc/84/06/03/621840603.db2.gz VYDRHHDBGYFCQV-UHFFFAOYSA-N 2 2 298.352 3.282 20 0 CGADLP Cc1csc(C[C@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000903955004 621843184 /nfs/dbraw/zinc/84/31/84/621843184.db2.gz YBRIPHFHHDTFNZ-CABCVRRESA-N 2 2 295.496 3.079 20 0 CGADLP Cc1csc(C[C@H]2CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000903955004 621843186 /nfs/dbraw/zinc/84/31/86/621843186.db2.gz YBRIPHFHHDTFNZ-CABCVRRESA-N 2 2 295.496 3.079 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904353044 621911524 /nfs/dbraw/zinc/91/15/24/621911524.db2.gz GULXPINZEFHSRG-NSHDSACASA-N 2 2 274.330 3.226 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Cl)s1 ZINC000225326547 622905704 /nfs/dbraw/zinc/90/57/04/622905704.db2.gz JAPZNCDFRQCENP-JTQLQIEISA-N 2 2 298.843 3.198 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167400222 622934816 /nfs/dbraw/zinc/93/48/16/622934816.db2.gz STRHJJCPFUNGJT-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000167400222 622934829 /nfs/dbraw/zinc/93/48/29/622934829.db2.gz STRHJJCPFUNGJT-SNVBAGLBSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689961 623509964 /nfs/dbraw/zinc/50/99/64/623509964.db2.gz JXQXPNVLUJWTSS-ZBFHGGJFSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689961 623509966 /nfs/dbraw/zinc/50/99/66/623509966.db2.gz JXQXPNVLUJWTSS-ZBFHGGJFSA-N 2 2 291.414 3.232 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000921530989 625650825 /nfs/dbraw/zinc/65/08/25/625650825.db2.gz NTKBFPMNCSUUON-DFBDCSAJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000921530989 625650839 /nfs/dbraw/zinc/65/08/39/625650839.db2.gz NTKBFPMNCSUUON-DFBDCSAJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000252958747 624904271 /nfs/dbraw/zinc/90/42/71/624904271.db2.gz LMDAVKQYZFCVDW-DJIMGWMZSA-N 2 2 290.451 3.130 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182633545 625022907 /nfs/dbraw/zinc/02/29/07/625022907.db2.gz KYRNYMCAUFHRSB-CABCVRRESA-N 2 2 275.440 3.285 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1C ZINC000753612098 626458764 /nfs/dbraw/zinc/45/87/64/626458764.db2.gz RHMXBGWAXDJJAB-HNNXBMFYSA-N 2 2 276.424 3.058 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000753674782 626461867 /nfs/dbraw/zinc/46/18/67/626461867.db2.gz PXGPRLKVQDBYIT-BBRMVZONSA-N 2 2 290.451 3.304 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000753674782 626461869 /nfs/dbraw/zinc/46/18/69/626461869.db2.gz PXGPRLKVQDBYIT-BBRMVZONSA-N 2 2 290.451 3.304 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000754796692 626587618 /nfs/dbraw/zinc/58/76/18/626587618.db2.gz YTQOQEWPQZLAOO-YJBOKZPZSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000754796692 626587623 /nfs/dbraw/zinc/58/76/23/626587623.db2.gz YTQOQEWPQZLAOO-YJBOKZPZSA-N 2 2 272.436 3.446 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000766329369 627320644 /nfs/dbraw/zinc/32/06/44/627320644.db2.gz DCJBTLRYPDOEEM-KZNAEPCWSA-N 2 2 286.463 3.499 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000769867602 627584523 /nfs/dbraw/zinc/58/45/23/627584523.db2.gz LASPNXQSFCMFLJ-ZDUSSCGKSA-N 2 2 279.428 3.072 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000769868510 627584739 /nfs/dbraw/zinc/58/47/39/627584739.db2.gz QZCWYFMSRWEIAP-UONOGXRCSA-N 2 2 293.455 3.461 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000769868510 627584741 /nfs/dbraw/zinc/58/47/41/627584741.db2.gz QZCWYFMSRWEIAP-UONOGXRCSA-N 2 2 293.455 3.461 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775622861 628114981 /nfs/dbraw/zinc/11/49/81/628114981.db2.gz JMQSHFZGEGIMDW-CHWSQXEVSA-N 2 2 268.364 3.104 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776163183 628173342 /nfs/dbraw/zinc/17/33/42/628173342.db2.gz QAAINUZQNZWJKV-DYVFJYSZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776163183 628173346 /nfs/dbraw/zinc/17/33/46/628173346.db2.gz QAAINUZQNZWJKV-DYVFJYSZSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000776363672 628198664 /nfs/dbraw/zinc/19/86/64/628198664.db2.gz JAKCENPGOYNHRY-UONOGXRCSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000776363672 628198670 /nfs/dbraw/zinc/19/86/70/628198670.db2.gz JAKCENPGOYNHRY-UONOGXRCSA-N 2 2 264.388 3.003 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000776804207 628233419 /nfs/dbraw/zinc/23/34/19/628233419.db2.gz DNAMQSMLOGKUCW-GOSISDBHSA-N 2 2 287.451 3.429 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000779059381 628385372 /nfs/dbraw/zinc/38/53/72/628385372.db2.gz BXIXJSJTUCGABX-CABCVRRESA-N 2 2 299.418 3.174 20 0 CGADLP Cl/C=C\C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031759 628673784 /nfs/dbraw/zinc/67/37/84/628673784.db2.gz KBATWGODRRQHRO-KXFIGUGUSA-N 2 2 267.804 3.128 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1F ZINC000863543486 629604108 /nfs/dbraw/zinc/60/41/08/629604108.db2.gz ZTKMECKTKGSQKF-SWLSCSKDSA-N 2 2 262.372 3.069 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000863548688 629604689 /nfs/dbraw/zinc/60/46/89/629604689.db2.gz RLQWAHIVSKEHFV-VCTAVGKDSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1scc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1C ZINC000864054848 629751220 /nfs/dbraw/zinc/75/12/20/629751220.db2.gz BZZFPFQYWOWPRP-AWEZNQCLSA-N 2 2 264.438 3.129 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000797905937 630000872 /nfs/dbraw/zinc/00/08/72/630000872.db2.gz RWAVOECPEFRVSN-DLBZAZTESA-N 2 2 267.376 3.151 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000806131829 630546302 /nfs/dbraw/zinc/54/63/02/630546302.db2.gz PEGUOGUKIHHMGX-KKUMJFAQSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575559 630753434 /nfs/dbraw/zinc/75/34/34/630753434.db2.gz HNADVKQTGSBRSQ-IPYPFGDCSA-N 2 2 293.480 3.358 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809575559 630753446 /nfs/dbraw/zinc/75/34/46/630753446.db2.gz HNADVKQTGSBRSQ-IPYPFGDCSA-N 2 2 293.480 3.358 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000866237287 633039114 /nfs/dbraw/zinc/03/91/14/633039114.db2.gz HVJMTSFSIMIAFW-MRXNPFEDSA-N 2 2 272.396 3.045 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361284 633101509 /nfs/dbraw/zinc/10/15/09/633101509.db2.gz MFEOIMYCNMNWDM-ABAIWWIYSA-N 2 2 285.366 3.073 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000872016334 633936842 /nfs/dbraw/zinc/93/68/42/633936842.db2.gz IMNNUEXVOAIJMR-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872022859 633943287 /nfs/dbraw/zinc/94/32/87/633943287.db2.gz MBAUSLMUDKXXPI-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872022859 633943289 /nfs/dbraw/zinc/94/32/89/633943289.db2.gz MBAUSLMUDKXXPI-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CCO1 ZINC000872043018 633965715 /nfs/dbraw/zinc/96/57/15/633965715.db2.gz VEMRRRDOQAKNIP-CABCVRRESA-N 2 2 291.439 3.067 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)[C@@H]1CCCOC1 ZINC000872052836 633976222 /nfs/dbraw/zinc/97/62/22/633976222.db2.gz QHWBSRLQMHFANJ-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)[C@@H]1CCCOC1 ZINC000872052836 633976227 /nfs/dbraw/zinc/97/62/27/633976227.db2.gz QHWBSRLQMHFANJ-ZACQAIPSSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)CC ZINC000872087589 634013194 /nfs/dbraw/zinc/01/31/94/634013194.db2.gz FQFRUXMAQPRHDE-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](c1cccnc1)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872100094 634020376 /nfs/dbraw/zinc/02/03/76/634020376.db2.gz HBDPUYGOPATRAI-INIZCTEOSA-N 2 2 287.451 3.483 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)[C@@H]1CC[NH3+] ZINC000872144799 634064059 /nfs/dbraw/zinc/06/40/59/634064059.db2.gz IVEPAPRRNNOXJS-ZWNOBZJWSA-N 2 2 290.329 3.248 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)[C@@H]1CC[NH3+] ZINC000872144799 634064066 /nfs/dbraw/zinc/06/40/66/634064066.db2.gz IVEPAPRRNNOXJS-ZWNOBZJWSA-N 2 2 290.329 3.248 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179859 634273230 /nfs/dbraw/zinc/27/32/30/634273230.db2.gz QFTSAWBZDDEOHS-GFCCVEGCSA-N 2 2 282.815 3.008 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179859 634273235 /nfs/dbraw/zinc/27/32/35/634273235.db2.gz QFTSAWBZDDEOHS-GFCCVEGCSA-N 2 2 282.815 3.008 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@]34CCC[C@H]3[NH2+]CC4)c2)nc1 ZINC000873230781 634293137 /nfs/dbraw/zinc/29/31/37/634293137.db2.gz YBEZFHPMLXZWRU-MOPGFXCFSA-N 2 2 293.414 3.123 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000877070856 634971448 /nfs/dbraw/zinc/97/14/48/634971448.db2.gz XGKZLLGPTYZYOU-WDEREUQCSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070856 634971453 /nfs/dbraw/zinc/97/14/53/634971453.db2.gz XGKZLLGPTYZYOU-WDEREUQCSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@@H+]1C ZINC000877070854 634971669 /nfs/dbraw/zinc/97/16/69/634971669.db2.gz XGKZLLGPTYZYOU-MNOVXSKESA-N 2 2 293.798 3.054 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(ccnc3Cl)o2)CC[N@H+]1C ZINC000877070854 634971670 /nfs/dbraw/zinc/97/16/70/634971670.db2.gz XGKZLLGPTYZYOU-MNOVXSKESA-N 2 2 293.798 3.054 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000841066866 635117037 /nfs/dbraw/zinc/11/70/37/635117037.db2.gz PXSOWSOPASIZML-AWEZNQCLSA-N 2 2 264.413 3.083 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000877656286 635134278 /nfs/dbraw/zinc/13/42/78/635134278.db2.gz DBMGNZSILLQPJU-CQSZACIVSA-N 2 2 270.486 3.125 20 0 CGADLP CSC(C)(C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000877656286 635134282 /nfs/dbraw/zinc/13/42/82/635134282.db2.gz DBMGNZSILLQPJU-CQSZACIVSA-N 2 2 270.486 3.125 20 0 CGADLP Cc1ccc(CC(C)(C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000842167855 635303088 /nfs/dbraw/zinc/30/30/88/635303088.db2.gz VOERZQODSXEULH-UHFFFAOYSA-N 2 2 260.425 3.002 20 0 CGADLP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000843343734 635651488 /nfs/dbraw/zinc/65/14/88/635651488.db2.gz XELUNJQPOSEKRH-OAHLLOKOSA-N 3 2 286.423 3.042 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135965 635920928 /nfs/dbraw/zinc/92/09/28/635920928.db2.gz CUQJNNOKTJGXBX-ROUUACIJSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCc1ccccc1 ZINC000880135965 635920932 /nfs/dbraw/zinc/92/09/32/635920932.db2.gz CUQJNNOKTJGXBX-ROUUACIJSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCc1ccccc1 ZINC000880135965 635920934 /nfs/dbraw/zinc/92/09/34/635920934.db2.gz CUQJNNOKTJGXBX-ROUUACIJSA-N 2 2 272.436 3.178 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCc1ccccc1 ZINC000880135965 635920937 /nfs/dbraw/zinc/92/09/37/635920937.db2.gz CUQJNNOKTJGXBX-ROUUACIJSA-N 2 2 272.436 3.178 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138518 635922612 /nfs/dbraw/zinc/92/26/12/635922612.db2.gz XWFZFDUGJPGOEY-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138518 635922615 /nfs/dbraw/zinc/92/26/15/635922615.db2.gz XWFZFDUGJPGOEY-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC000880138518 635922619 /nfs/dbraw/zinc/92/26/19/635922619.db2.gz XWFZFDUGJPGOEY-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC000880138518 635922620 /nfs/dbraw/zinc/92/26/20/635922620.db2.gz XWFZFDUGJPGOEY-HOTGVXAUSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142738 635924335 /nfs/dbraw/zinc/92/43/35/635924335.db2.gz TZJCORVJHLUPQW-HZPDHXFCSA-N 2 2 282.497 3.221 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCSC1CCCCC1 ZINC000880142738 635924340 /nfs/dbraw/zinc/92/43/40/635924340.db2.gz TZJCORVJHLUPQW-HZPDHXFCSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCSC1CCCCC1 ZINC000880142738 635924345 /nfs/dbraw/zinc/92/43/45/635924345.db2.gz TZJCORVJHLUPQW-HZPDHXFCSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCSC1CCCCC1 ZINC000880142738 635924348 /nfs/dbraw/zinc/92/43/48/635924348.db2.gz TZJCORVJHLUPQW-HZPDHXFCSA-N 2 2 282.497 3.221 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472634 636006951 /nfs/dbraw/zinc/00/69/51/636006951.db2.gz WKVWHWBBCMUJRD-IAGOWNOFSA-N 2 2 294.483 3.142 20 0 CGADLP c1cn(C[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2ccccc2)c[nH+]1 ZINC000880569297 636022649 /nfs/dbraw/zinc/02/26/49/636022649.db2.gz AYTAQBMYSBLPQX-BZZMCLGOSA-N 2 2 281.403 3.260 20 0 CGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000846220361 636163471 /nfs/dbraw/zinc/16/34/71/636163471.db2.gz GZSGBIFFLNKFHL-MRXNPFEDSA-N 2 2 296.842 3.232 20 0 CGADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000846220361 636163473 /nfs/dbraw/zinc/16/34/73/636163473.db2.gz GZSGBIFFLNKFHL-MRXNPFEDSA-N 2 2 296.842 3.232 20 0 CGADLP CC(C)c1cccc(NC(=[NH2+])NCCCCn2cc[nH+]c2)c1 ZINC000848995603 636708491 /nfs/dbraw/zinc/70/84/91/636708491.db2.gz UWQCHLYSRPDGDQ-UHFFFAOYSA-N 2 2 299.422 3.423 20 0 CGADLP CC1(C)CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388087 636729951 /nfs/dbraw/zinc/72/99/51/636729951.db2.gz LWWFAXJLPJKPPL-HZPDHXFCSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCOC1 ZINC000883388569 636730985 /nfs/dbraw/zinc/73/09/85/636730985.db2.gz XOHSMWGAJATKTP-SZMVWBNQSA-N 2 2 299.418 3.029 20 0 CGADLP C[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429070 636752523 /nfs/dbraw/zinc/75/25/23/636752523.db2.gz KUDNPJFGVDBAHF-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP C[N@@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429070 636752525 /nfs/dbraw/zinc/75/25/25/636752525.db2.gz KUDNPJFGVDBAHF-IAGOWNOFSA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439516 636756921 /nfs/dbraw/zinc/75/69/21/636756921.db2.gz TZSRZNZWSNVLCB-KURKYZTESA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883439516 636756934 /nfs/dbraw/zinc/75/69/34/636756934.db2.gz TZSRZNZWSNVLCB-KURKYZTESA-N 2 2 288.435 3.110 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459652 636761252 /nfs/dbraw/zinc/76/12/52/636761252.db2.gz DRNBFMSCHFFFMB-UHFFFAOYSA-N 2 2 287.451 3.231 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459652 636761255 /nfs/dbraw/zinc/76/12/55/636761255.db2.gz DRNBFMSCHFFFMB-UHFFFAOYSA-N 2 2 287.451 3.231 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459393 636761910 /nfs/dbraw/zinc/76/19/10/636761910.db2.gz VPVDARVOMKQSGF-UHFFFAOYSA-N 2 2 280.362 3.342 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883459393 636761914 /nfs/dbraw/zinc/76/19/14/636761914.db2.gz VPVDARVOMKQSGF-UHFFFAOYSA-N 2 2 280.362 3.342 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421463 637054960 /nfs/dbraw/zinc/05/49/60/637054960.db2.gz VXWUSLBHFJREOI-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421463 637054964 /nfs/dbraw/zinc/05/49/64/637054964.db2.gz VXWUSLBHFJREOI-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000886282812 637483409 /nfs/dbraw/zinc/48/34/09/637483409.db2.gz VSHNSXKPXIOFLO-MPTQWLOMSA-N 2 2 287.432 3.316 20 0 CGADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCn1cc[nH+]c1 ZINC000886490066 637538772 /nfs/dbraw/zinc/53/87/72/637538772.db2.gz YOGVOQURXBVBND-INIZCTEOSA-N 2 2 298.365 3.171 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000886543841 637572294 /nfs/dbraw/zinc/57/22/94/637572294.db2.gz WGBWAHWSOINVEG-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000886543841 637572297 /nfs/dbraw/zinc/57/22/97/637572297.db2.gz WGBWAHWSOINVEG-WBVHZDCISA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000222553662 637801996 /nfs/dbraw/zinc/80/19/96/637801996.db2.gz APJAJWLXSFUOFE-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP Cc1ccc2c(c1)[nH+]c(C)cc2OCCc1c[nH+]cn1C ZINC000853690079 637893501 /nfs/dbraw/zinc/89/35/01/637893501.db2.gz BCFVHMARYKNPMD-UHFFFAOYSA-N 2 2 281.359 3.207 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000924527523 638349612 /nfs/dbraw/zinc/34/96/12/638349612.db2.gz TWNDUAQOTPXSHT-CQSZACIVSA-N 2 2 295.858 3.290 20 0 CGADLP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc2ccccc21 ZINC000924550800 638360134 /nfs/dbraw/zinc/36/01/34/638360134.db2.gz FIGLHRUUGBPRSQ-CQSZACIVSA-N 2 2 295.386 3.396 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1(Cl)CC1 ZINC000924927302 638425200 /nfs/dbraw/zinc/42/52/00/638425200.db2.gz OZLBTZSYOJJXFY-LBPRGKRZSA-N 2 2 267.804 3.023 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000925052245 638443618 /nfs/dbraw/zinc/44/36/18/638443618.db2.gz QIZXQRBNQAECJN-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000925052245 638443621 /nfs/dbraw/zinc/44/36/21/638443621.db2.gz QIZXQRBNQAECJN-KURKYZTESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142169 638460798 /nfs/dbraw/zinc/46/07/98/638460798.db2.gz NVVWHPCEMWITII-YCPHGPKFSA-N 2 2 299.418 3.475 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000925142169 638460804 /nfs/dbraw/zinc/46/08/04/638460804.db2.gz NVVWHPCEMWITII-YCPHGPKFSA-N 2 2 299.418 3.475 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925185443 638469064 /nfs/dbraw/zinc/46/90/64/638469064.db2.gz CJJLXDPURXBLEJ-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925185443 638469073 /nfs/dbraw/zinc/46/90/73/638469073.db2.gz CJJLXDPURXBLEJ-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP CCO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925658180 638559633 /nfs/dbraw/zinc/55/96/33/638559633.db2.gz HAYPIOUVPFSMQX-SJORKVTESA-N 2 2 288.435 3.029 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000858104387 638629375 /nfs/dbraw/zinc/62/93/75/638629375.db2.gz JFSKWQBHCVEIIL-SYAUCNOPSA-N 2 2 275.440 3.322 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000925874572 638638077 /nfs/dbraw/zinc/63/80/77/638638077.db2.gz KLBNDCLFFIBGCF-CSMYWGQOSA-N 2 2 294.389 3.284 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000926145812 638721348 /nfs/dbraw/zinc/72/13/48/638721348.db2.gz TWHOIVUCWPEAFG-LSDHHAIUSA-N 2 2 291.439 3.005 20 0 CGADLP COC1CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926157057 638724182 /nfs/dbraw/zinc/72/41/82/638724182.db2.gz RBZNUXBVDXZZFY-OPQOLIRYSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926157057 638724186 /nfs/dbraw/zinc/72/41/86/638724186.db2.gz RBZNUXBVDXZZFY-OPQOLIRYSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926231338 638748203 /nfs/dbraw/zinc/74/82/03/638748203.db2.gz ZQSWXOAFRWKOCP-UONOGXRCSA-N 2 2 263.429 3.104 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276391 638758069 /nfs/dbraw/zinc/75/80/69/638758069.db2.gz WYFDFKWVDKEGAB-LBPRGKRZSA-N 2 2 279.428 3.064 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2[nH]1 ZINC000926450366 638772747 /nfs/dbraw/zinc/77/27/47/638772747.db2.gz LPNLVSVPBCSNBU-AAEUAGOBSA-N 2 2 280.375 3.099 20 0 CGADLP CC(C)(C)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)co1 ZINC000929803901 638952963 /nfs/dbraw/zinc/95/29/63/638952963.db2.gz QDANKCCADNSSDQ-UHFFFAOYSA-N 2 2 288.395 3.075 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCSC3(CCCCC3)C2)c(C)[nH+]1 ZINC000929809510 638953365 /nfs/dbraw/zinc/95/33/65/638953365.db2.gz LLGGCSHKBHPRDD-UHFFFAOYSA-N 2 2 279.453 3.278 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCSC3(CCCCC3)C2)c(C)[nH+]1 ZINC000929809510 638953367 /nfs/dbraw/zinc/95/33/67/638953367.db2.gz LLGGCSHKBHPRDD-UHFFFAOYSA-N 2 2 279.453 3.278 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000252429013 640845105 /nfs/dbraw/zinc/84/51/05/640845105.db2.gz MGANJSFKOBAFMD-MELADBBJSA-N 2 2 251.418 3.322 20 0 CGADLP CCC[C@H](C)c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250424610 805606455 /nfs/dbraw/zinc/60/64/55/805606455.db2.gz LGDYCAJDXUPRPK-ZDUSSCGKSA-N 2 2 286.423 3.218 20 0 CGADLP CC(C)Oc1cc[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001157748893 805862741 /nfs/dbraw/zinc/86/27/41/805862741.db2.gz YXSUOYUNKODWPH-CQSZACIVSA-N 2 2 297.402 3.453 20 0 CGADLP COc1cc(C)c[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158264551 805931249 /nfs/dbraw/zinc/93/12/49/805931249.db2.gz JQSKKHHKEYQPQC-GUYCJALGSA-N 2 2 291.439 3.354 20 0 CGADLP Cc1c[nH+]c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(C)c1 ZINC001158621499 805979277 /nfs/dbraw/zinc/97/92/77/805979277.db2.gz HJJCUECKCOLCQI-CQSZACIVSA-N 2 2 295.377 3.008 20 0 CGADLP Cc1cc(NCC23CC[NH+](CC2)CC3)[nH+]c2ccccc12 ZINC001158827921 806009242 /nfs/dbraw/zinc/00/92/42/806009242.db2.gz YNDBYOABVSKMGU-UHFFFAOYSA-N 2 2 281.403 3.441 20 0 CGADLP CC(C)(C[NH3+])c1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001159579572 806125353 /nfs/dbraw/zinc/12/53/53/806125353.db2.gz GERIVVKYKILRCW-UHFFFAOYSA-N 2 2 280.375 3.314 20 0 CGADLP CC1(C)C[NH2+]Cc2cc(Nc3ccn4cc[nH+]c4c3)ccc21 ZINC001160286575 806250328 /nfs/dbraw/zinc/25/03/28/806250328.db2.gz MZEFSNIDVJSZNS-UHFFFAOYSA-N 2 2 292.386 3.459 20 0 CGADLP COc1ccc(C)[nH+]c1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160663016 806292919 /nfs/dbraw/zinc/29/29/19/806292919.db2.gz WPKCSJJMPDJTTA-CQSZACIVSA-N 2 2 299.418 3.000 20 0 CGADLP Cc1[nH+]c(NCc2c[nH+]cn2CC2CCC2)cc2[nH]ccc21 ZINC001161533158 806388923 /nfs/dbraw/zinc/38/89/23/806388923.db2.gz JOLLEIFCFIKPNP-UHFFFAOYSA-N 2 2 295.390 3.480 20 0 CGADLP c1cn(C2CC[NH+](C3CCC4(CC4)CC3)CC2)c[nH+]1 ZINC001254445554 806401940 /nfs/dbraw/zinc/40/19/40/806401940.db2.gz QDUZBWVDHHHVRD-UHFFFAOYSA-N 2 2 259.397 3.243 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001254481422 806412958 /nfs/dbraw/zinc/41/29/58/806412958.db2.gz BLRBMXKTLAWPDU-GOSISDBHSA-N 2 2 274.452 3.473 20 0 CGADLP Cc1cc2cc(NCCCn3cc[nH+]c3)ccc2c[nH+]1 ZINC001161688944 806420011 /nfs/dbraw/zinc/42/00/11/806420011.db2.gz CVEKTSAOWFMRPX-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1Cl ZINC001254500290 806420544 /nfs/dbraw/zinc/42/05/44/806420544.db2.gz TZFKPROCRMTJSH-GFCCVEGCSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1Cl ZINC001254500290 806420548 /nfs/dbraw/zinc/42/05/48/806420548.db2.gz TZFKPROCRMTJSH-GFCCVEGCSA-N 2 2 284.806 3.361 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001254508118 806428703 /nfs/dbraw/zinc/42/87/03/806428703.db2.gz GSVGRFGJAWDCRO-CYBMUJFWSA-N 2 2 286.612 3.184 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001254508118 806428709 /nfs/dbraw/zinc/42/87/09/806428709.db2.gz GSVGRFGJAWDCRO-CYBMUJFWSA-N 2 2 286.612 3.184 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c(Cl)c1 ZINC001254841794 806495609 /nfs/dbraw/zinc/49/56/09/806495609.db2.gz BGRABVZIBWHIPQ-HNNXBMFYSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1cccc(C2([NH2+][C@H]3CC4CC[NH+](CC4)C3)CCC2)c1 ZINC001254848409 806497034 /nfs/dbraw/zinc/49/70/34/806497034.db2.gz OYTQFGDISAGMOQ-SFHVURJKSA-N 2 2 284.447 3.448 20 0 CGADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848714 806499049 /nfs/dbraw/zinc/49/90/49/806499049.db2.gz VFRKYUZRXXXIGD-INIZCTEOSA-N 2 2 272.436 3.304 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(C)c(C)c[nH+]2)c1 ZINC001162131443 806510147 /nfs/dbraw/zinc/51/01/47/806510147.db2.gz XTFHBFZOLIOYST-UHFFFAOYSA-N 2 2 285.391 3.492 20 0 CGADLP Cc1cc2ccccc2c(N[C@@]2(C)CCC[N@@H+](C)C2)[nH+]1 ZINC001162337486 806557029 /nfs/dbraw/zinc/55/70/29/806557029.db2.gz PJPATIMOVQKAIN-KRWDZBQOSA-N 2 2 269.392 3.439 20 0 CGADLP Cc1cc2ccccc2c(N[C@@]2(C)CCC[N@H+](C)C2)[nH+]1 ZINC001162337486 806557037 /nfs/dbraw/zinc/55/70/37/806557037.db2.gz PJPATIMOVQKAIN-KRWDZBQOSA-N 2 2 269.392 3.439 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cc1C(F)(F)F ZINC001162390522 806573338 /nfs/dbraw/zinc/57/33/38/806573338.db2.gz GTIIOYZNSBUPGK-VHSXEESVSA-N 2 2 273.302 3.091 20 0 CGADLP CC1(C)CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001255308686 806603294 /nfs/dbraw/zinc/60/32/94/806603294.db2.gz ZRVNWZGJAKAGPD-CYBMUJFWSA-N 2 2 261.413 3.491 20 0 CGADLP CC(C)n1ccc2c1nc[nH+]c2Nc1ccc(C[NH3+])c(F)c1 ZINC001162528548 806613277 /nfs/dbraw/zinc/61/32/77/806613277.db2.gz GSIWDDACQQZPEK-UHFFFAOYSA-N 2 2 299.353 3.354 20 0 CGADLP C[C@@H]1C[C@@H](CNc2cc[nH+]c(OCc3ccccc3)c2)C[NH2+]1 ZINC001162557139 806618579 /nfs/dbraw/zinc/61/85/79/806618579.db2.gz BWEMVEHHUSWFMY-GDBMZVCRSA-N 2 2 297.402 3.071 20 0 CGADLP COc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156189 798859899 /nfs/dbraw/zinc/85/98/99/798859899.db2.gz NTKFRZFZWFGYSA-INIZCTEOSA-N 2 2 287.407 3.096 20 0 CGADLP CCCC(C[NH3+])(CCC)Nc1cc(OCC)cc[nH+]1 ZINC001163038651 806695550 /nfs/dbraw/zinc/69/55/50/806695550.db2.gz NVTFECQFWVSKOZ-UHFFFAOYSA-N 2 2 265.401 3.190 20 0 CGADLP Fc1cc(C[NH2+]Cc2ccccc2)ccc1-n1cc[nH+]c1 ZINC000075733963 798922429 /nfs/dbraw/zinc/92/24/29/798922429.db2.gz KNPJBPHUGPIVLP-UHFFFAOYSA-N 2 2 281.334 3.301 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000380987293 799370782 /nfs/dbraw/zinc/37/07/82/799370782.db2.gz GVAPSQJFADMEKF-QPSCCSFWSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381640694 799384781 /nfs/dbraw/zinc/38/47/81/799384781.db2.gz WWCZYUPKOJAGNU-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000381640694 799384790 /nfs/dbraw/zinc/38/47/90/799384790.db2.gz WWCZYUPKOJAGNU-ZWNOBZJWSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000382982943 799398657 /nfs/dbraw/zinc/39/86/57/799398657.db2.gz YATLQEBHZZYVKX-VIFPVBQESA-N 2 2 278.343 3.078 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1 ZINC000382982943 799398663 /nfs/dbraw/zinc/39/86/63/799398663.db2.gz YATLQEBHZZYVKX-VIFPVBQESA-N 2 2 278.343 3.078 20 0 CGADLP CC(C)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386884909 799441005 /nfs/dbraw/zinc/44/10/05/799441005.db2.gz MTCJHLSCQDFOIB-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386884909 799441008 /nfs/dbraw/zinc/44/10/08/799441008.db2.gz MTCJHLSCQDFOIB-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394455681 799496834 /nfs/dbraw/zinc/49/68/34/799496834.db2.gz NYSVGFUDQQQYAU-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394455681 799496837 /nfs/dbraw/zinc/49/68/37/799496837.db2.gz NYSVGFUDQQQYAU-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP Cc1ccc(C[C@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001255789103 806752353 /nfs/dbraw/zinc/75/23/53/806752353.db2.gz PCZONJKEKXSUBN-KRWDZBQOSA-N 2 2 298.474 3.344 20 0 CGADLP Cc1ccc(C[C@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001255789103 806752355 /nfs/dbraw/zinc/75/23/55/806752355.db2.gz PCZONJKEKXSUBN-KRWDZBQOSA-N 2 2 298.474 3.344 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397970104 799524581 /nfs/dbraw/zinc/52/45/81/799524581.db2.gz ZPFLFTLDQDQODD-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397970104 799524586 /nfs/dbraw/zinc/52/45/86/799524586.db2.gz ZPFLFTLDQDQODD-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP CCCCOc1ccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000470016852 799646693 /nfs/dbraw/zinc/64/66/93/799646693.db2.gz WGRZLPZBVQXUAG-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000470016852 799646696 /nfs/dbraw/zinc/64/66/96/799646696.db2.gz WGRZLPZBVQXUAG-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530218439 799672161 /nfs/dbraw/zinc/67/21/61/799672161.db2.gz JBDVCAVCRGUYLP-IRXDYDNUSA-N 2 2 286.419 3.021 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@H](C)Cc2ccccc2F)CC1 ZINC001255857369 806771386 /nfs/dbraw/zinc/77/13/86/806771386.db2.gz RCXFHWUZGYHFRS-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@H](C)Cc2ccccc2F)CC1 ZINC001255857369 806771388 /nfs/dbraw/zinc/77/13/88/806771388.db2.gz RCXFHWUZGYHFRS-CQSZACIVSA-N 2 2 278.415 3.173 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(F)(F)CC1 ZINC000688337975 799747517 /nfs/dbraw/zinc/74/75/17/799747517.db2.gz NTXUDWVAKNTFIO-ZDUSSCGKSA-N 2 2 285.382 3.465 20 0 CGADLP Cc1[nH+]cn(C2CCCCCC2)c1CSCC[NH3+] ZINC001255881286 806780847 /nfs/dbraw/zinc/78/08/47/806780847.db2.gz IXLNVLIYRKKAAW-UHFFFAOYSA-N 2 2 267.442 3.279 20 0 CGADLP Cc1cccc2c(C)cc(N(C)CCC[NH+](C)C)[nH+]c12 ZINC001163595649 806789989 /nfs/dbraw/zinc/78/99/89/806789989.db2.gz RFINOEUAFBQZDO-UHFFFAOYSA-N 2 2 271.408 3.240 20 0 CGADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+]1CCCCC1 ZINC000705356207 799948373 /nfs/dbraw/zinc/94/83/73/799948373.db2.gz SRWOUNSJJBDASD-BBRMVZONSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](CC[NH2+]Cc1csc(C(F)(F)F)c1)[NH+](C)C ZINC000705650351 799952223 /nfs/dbraw/zinc/95/22/23/799952223.db2.gz MQIGZCMRPNRZPU-VIFPVBQESA-N 2 2 280.359 3.197 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC001255950289 806794939 /nfs/dbraw/zinc/79/49/39/806794939.db2.gz GYRWJGNWRLQHJE-CYBMUJFWSA-N 2 2 282.403 3.044 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001255954537 806797898 /nfs/dbraw/zinc/79/78/98/806797898.db2.gz XKAWANVSCLIJPO-INIZCTEOSA-N 3 2 297.531 3.207 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC001255954582 806798752 /nfs/dbraw/zinc/79/87/52/806798752.db2.gz YBXIUUDDMSBXSP-IUODEOHRSA-N 2 2 296.842 3.484 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000715544925 800138543 /nfs/dbraw/zinc/13/85/43/800138543.db2.gz VKLALYAEQDYRCM-CHWSQXEVSA-N 2 2 295.496 3.403 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CC[C@H]3CCCS3)cc2)c[nH+]1 ZINC000715610095 800141214 /nfs/dbraw/zinc/14/12/14/800141214.db2.gz HEIBRSBKRYGYIB-MRXNPFEDSA-N 2 2 287.432 3.248 20 0 CGADLP c1ccc(N2CCC([NH2+]CCCCC3CC3)CC2)[nH+]c1 ZINC000716378177 800170315 /nfs/dbraw/zinc/17/03/15/800170315.db2.gz JEDDSVKRUHJSMJ-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000718120917 800212669 /nfs/dbraw/zinc/21/26/69/800212669.db2.gz VUWTWXXVWVPNJR-KRWDZBQOSA-N 2 2 284.403 3.200 20 0 CGADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000718120917 800212671 /nfs/dbraw/zinc/21/26/71/800212671.db2.gz VUWTWXXVWVPNJR-KRWDZBQOSA-N 2 2 284.403 3.200 20 0 CGADLP F[C@@H]1CCC2(C1)CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256081236 806816565 /nfs/dbraw/zinc/81/65/65/806816565.db2.gz VCSOIWUKPQWVNE-CQSZACIVSA-N 2 2 280.431 3.217 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H]1C ZINC000722392270 800320373 /nfs/dbraw/zinc/32/03/73/800320373.db2.gz SLDUTVFJSQTIFR-MBNYWOFBSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256107531 806822279 /nfs/dbraw/zinc/82/22/79/806822279.db2.gz YCHXRUMUOIISLW-HYVNUMGLSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256208303 806850933 /nfs/dbraw/zinc/85/09/33/806850933.db2.gz DOXMDCBZNVBXBX-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256208303 806850940 /nfs/dbraw/zinc/85/09/40/806850940.db2.gz DOXMDCBZNVBXBX-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP C[NH+]1CCC([NH+]2CCC(c3ccc(F)cc3F)CC2)CC1 ZINC001256216126 806851317 /nfs/dbraw/zinc/85/13/17/806851317.db2.gz UDHBAKCLHPAXQE-UHFFFAOYSA-N 2 2 294.389 3.238 20 0 CGADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256607669 806923947 /nfs/dbraw/zinc/92/39/47/806923947.db2.gz RBPMTNVQYSVYKD-RYQLBKOJSA-N 2 2 288.410 3.083 20 0 CGADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256607669 806923952 /nfs/dbraw/zinc/92/39/52/806923952.db2.gz RBPMTNVQYSVYKD-RYQLBKOJSA-N 2 2 288.410 3.083 20 0 CGADLP COc1ccc2[nH+]c(N3C[C@@H](C[NH3+])CC[C@H]3C)cc(C)c2c1 ZINC001164467937 806951712 /nfs/dbraw/zinc/95/17/12/806951712.db2.gz OMNCAEDUVGNVLL-ZIAGYGMSSA-N 2 2 299.418 3.115 20 0 CGADLP CC(C)OCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172445744 808319758 /nfs/dbraw/zinc/31/97/58/808319758.db2.gz SFDBLPABFXRCNO-AWEZNQCLSA-N 2 2 287.407 3.385 20 0 CGADLP CC(C)OCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172445745 808320110 /nfs/dbraw/zinc/32/01/10/808320110.db2.gz SFDBLPABFXRCNO-CQSZACIVSA-N 2 2 287.407 3.385 20 0 CGADLP CC(C)c1nc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cs1 ZINC001117814280 802502873 /nfs/dbraw/zinc/50/28/73/802502873.db2.gz IUMZGHVDILYPAM-UHFFFAOYSA-N 2 2 286.404 3.204 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001184265269 810186815 /nfs/dbraw/zinc/18/68/15/810186815.db2.gz RPSQRRSVLBTGEH-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001184265269 810186818 /nfs/dbraw/zinc/18/68/18/810186818.db2.gz RPSQRRSVLBTGEH-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cc(C)c(N)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244617119 803465695 /nfs/dbraw/zinc/46/56/95/803465695.db2.gz RICGZUDNESSCQK-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(C)c(N)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244617119 803465697 /nfs/dbraw/zinc/46/56/97/803465697.db2.gz RICGZUDNESSCQK-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP c1cc(C2CC[NH2+]CC2)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001245525450 803791273 /nfs/dbraw/zinc/79/12/73/803791273.db2.gz FBKJFVDSQRAKSU-UHFFFAOYSA-N 2 2 293.414 3.216 20 0 CGADLP Cc1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c[nH+]c1N ZINC001245536248 803793137 /nfs/dbraw/zinc/79/31/37/803793137.db2.gz HALLYRWHQCUVFC-UHFFFAOYSA-N 2 2 293.414 3.207 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846583 /nfs/dbraw/zinc/84/65/83/803846583.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846593 /nfs/dbraw/zinc/84/65/93/803846593.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846603 /nfs/dbraw/zinc/84/66/03/803846603.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062699 803846612 /nfs/dbraw/zinc/84/66/12/803846612.db2.gz WSWXDDJJZNXTRS-QAPCUYQASA-N 2 2 296.414 3.071 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cc(C)ccc4[nH]3)C[C@@H]2C1 ZINC001138416753 803922662 /nfs/dbraw/zinc/92/26/62/803922662.db2.gz CPMDCQDXGUIURC-CALCHBBNSA-N 2 2 297.446 3.250 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(C)ccc4[nH]3)C[C@@H]2C1 ZINC001138416753 803922673 /nfs/dbraw/zinc/92/26/73/803922673.db2.gz CPMDCQDXGUIURC-CALCHBBNSA-N 2 2 297.446 3.250 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(C)ccc4[nH]3)C[C@@H]2C1 ZINC001138416753 803922681 /nfs/dbraw/zinc/92/26/81/803922681.db2.gz CPMDCQDXGUIURC-CALCHBBNSA-N 2 2 297.446 3.250 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(C)ccc4[nH]3)C[C@@H]2C1 ZINC001138416753 803922691 /nfs/dbraw/zinc/92/26/91/803922691.db2.gz CPMDCQDXGUIURC-CALCHBBNSA-N 2 2 297.446 3.250 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3occc3C2)cc1 ZINC001138549397 803965002 /nfs/dbraw/zinc/96/50/02/803965002.db2.gz WDIXUCNBPFZLIG-UHFFFAOYSA-N 2 2 293.370 3.332 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3occc3C2)cc1 ZINC001138549397 803965010 /nfs/dbraw/zinc/96/50/10/803965010.db2.gz WDIXUCNBPFZLIG-UHFFFAOYSA-N 2 2 293.370 3.332 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246074172 804112073 /nfs/dbraw/zinc/11/20/73/804112073.db2.gz CAHVRSVOYPFIGK-PSASIEDQSA-N 2 2 291.197 3.363 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+]Cc1cc(F)c(Cl)cc1Cl ZINC001246075629 804114274 /nfs/dbraw/zinc/11/42/74/804114274.db2.gz JINOIATZUBHEBA-QMMMGPOBSA-N 2 2 279.186 3.220 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246091620 804123706 /nfs/dbraw/zinc/12/37/06/804123706.db2.gz GAACMLBNHUJGMR-INIZCTEOSA-N 2 2 270.461 3.094 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246100383 804133264 /nfs/dbraw/zinc/13/32/64/804133264.db2.gz SVDCHTLYGCAAHY-HIEASXQVSA-N 2 2 290.426 3.078 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)C[C@H](CC)[NH2+]1 ZINC001246100752 804134048 /nfs/dbraw/zinc/13/40/48/804134048.db2.gz UUBPWCDRGWQXQR-ITGUQSILSA-N 2 2 282.378 3.364 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246160890 804177048 /nfs/dbraw/zinc/17/70/48/804177048.db2.gz VYEVSXQYROLVCX-QDMKHBRRSA-N 2 2 282.378 3.364 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341236 804177707 /nfs/dbraw/zinc/17/77/07/804177707.db2.gz FLNSPWGPOZFSPM-HKUYNNGSSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341236 804177709 /nfs/dbraw/zinc/17/77/09/804177709.db2.gz FLNSPWGPOZFSPM-HKUYNNGSSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341236 804177713 /nfs/dbraw/zinc/17/77/13/804177713.db2.gz FLNSPWGPOZFSPM-HKUYNNGSSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341236 804177716 /nfs/dbraw/zinc/17/77/16/804177716.db2.gz FLNSPWGPOZFSPM-HKUYNNGSSA-N 2 2 296.414 3.071 20 0 CGADLP CCC1CCC([NH2+]CC[NH2+]Cc2ccccc2)CC1 ZINC001246167799 804182619 /nfs/dbraw/zinc/18/26/19/804182619.db2.gz DZIGTSSXEUMOMA-UHFFFAOYSA-N 2 2 260.425 3.335 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001139360202 804182841 /nfs/dbraw/zinc/18/28/41/804182841.db2.gz LIDPVWLRCDFZNO-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001139360202 804182846 /nfs/dbraw/zinc/18/28/46/804182846.db2.gz LIDPVWLRCDFZNO-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CC2)C1 ZINC001139361310 804182879 /nfs/dbraw/zinc/18/28/79/804182879.db2.gz PJQUMIRWJJHRCD-AWEZNQCLSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2(CC2)C1 ZINC001139361310 804182883 /nfs/dbraw/zinc/18/28/83/804182883.db2.gz PJQUMIRWJJHRCD-AWEZNQCLSA-N 2 2 267.376 3.247 20 0 CGADLP COCC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360569 804183746 /nfs/dbraw/zinc/18/37/46/804183746.db2.gz WRLRULGRUASGHM-QGZVFWFLSA-N 2 2 299.418 3.263 20 0 CGADLP COCC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360569 804183749 /nfs/dbraw/zinc/18/37/49/804183749.db2.gz WRLRULGRUASGHM-QGZVFWFLSA-N 2 2 299.418 3.263 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccnc1 ZINC001139360401 804184214 /nfs/dbraw/zinc/18/42/14/804184214.db2.gz SNNAIBKHPZSUNQ-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccnc1 ZINC001139360401 804184218 /nfs/dbraw/zinc/18/42/18/804184218.db2.gz SNNAIBKHPZSUNQ-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246169888 804184468 /nfs/dbraw/zinc/18/44/68/804184468.db2.gz OOCKDQVCMGQCOC-GXTWGEPZSA-N 2 2 282.428 3.038 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246171929 804185730 /nfs/dbraw/zinc/18/57/30/804185730.db2.gz UMBJEQDFAUDOOJ-INIZCTEOSA-N 2 2 260.425 3.335 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001246177969 804192714 /nfs/dbraw/zinc/19/27/14/804192714.db2.gz WSLQEOIFRUHSRE-BBRMVZONSA-N 2 2 260.425 3.214 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)CC[NH2+]1 ZINC001246189054 804198722 /nfs/dbraw/zinc/19/87/22/804198722.db2.gz ZGHQGLCFCZDQCH-GHJWDPDVSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC001246193622 804202037 /nfs/dbraw/zinc/20/20/37/804202037.db2.gz BVOLYVLYPMIQIZ-AWEZNQCLSA-N 2 2 266.816 3.307 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246197237 804204195 /nfs/dbraw/zinc/20/41/95/804204195.db2.gz ZVTKHNVMJDZJTC-QWHCGFSZSA-N 2 2 280.378 3.331 20 0 CGADLP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246226719 804220168 /nfs/dbraw/zinc/22/01/68/804220168.db2.gz TXRREQCAZSAILE-QWRGUYRKSA-N 2 2 288.769 3.238 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2Cl)CC[NH2+]1 ZINC001246236751 804228474 /nfs/dbraw/zinc/22/84/74/804228474.db2.gz YYCURHHEWJXNMB-JSGCOSHPSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1C(F)(F)F ZINC001246237027 804230838 /nfs/dbraw/zinc/23/08/38/804230838.db2.gz WMLUUWNFZNQRIE-YPMHNXCESA-N 2 2 286.341 3.244 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC001246266342 804245301 /nfs/dbraw/zinc/24/53/01/804245301.db2.gz BMSTWNULPBBGFQ-AWEZNQCLSA-N 2 2 266.454 3.065 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284319 804258562 /nfs/dbraw/zinc/25/85/62/804258562.db2.gz CXIWHUCUKFPYMH-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246294794 804264229 /nfs/dbraw/zinc/26/42/29/804264229.db2.gz NAMGBZFJIJVLPC-HRCADAONSA-N 2 2 270.461 3.092 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246302105 804268047 /nfs/dbraw/zinc/26/80/47/804268047.db2.gz WDCMQXPRMBKGRG-OAHLLOKOSA-N 3 2 257.466 3.129 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC001246318950 804278713 /nfs/dbraw/zinc/27/87/13/804278713.db2.gz VSYANDQDOXCMIH-SGMGOOAPSA-N 2 2 266.816 3.440 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC[NH2+]1 ZINC001246332521 804287540 /nfs/dbraw/zinc/28/75/40/804287540.db2.gz MVZMWUQRSDPPJZ-XJKSGUPXSA-N 2 2 294.389 3.320 20 0 CGADLP CCCCC(CCCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246334449 804289685 /nfs/dbraw/zinc/28/96/85/804289685.db2.gz CYTVRXAGAGZKIV-CQSZACIVSA-N 2 2 258.475 3.030 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC[NH2+]1 ZINC001246348824 804298309 /nfs/dbraw/zinc/29/83/09/804298309.db2.gz JCJSXNOXNBFROL-XQQFMLRXSA-N 2 2 282.378 3.454 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246347294 804298680 /nfs/dbraw/zinc/29/86/80/804298680.db2.gz GQZMSNKPMDIPMR-YPMHNXCESA-N 2 2 252.789 3.051 20 0 CGADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CNc4ccccc43)CC[NH2+]2)cc1 ZINC001246355113 804301207 /nfs/dbraw/zinc/30/12/07/804301207.db2.gz IOSQZDJXBCFXIH-AYOQOUSVSA-N 2 2 293.414 3.236 20 0 CGADLP Cn1c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc2ccccc21 ZINC001139868869 804303449 /nfs/dbraw/zinc/30/34/49/804303449.db2.gz ZYLJZHITQIYODQ-UHFFFAOYSA-N 2 2 297.446 3.239 20 0 CGADLP Fc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246401422 804321879 /nfs/dbraw/zinc/32/18/79/804321879.db2.gz DLLSYWFQGNIMER-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)c(C)c1 ZINC001246470516 804347446 /nfs/dbraw/zinc/34/74/46/804347446.db2.gz ZXSUAIXRBNLXSF-NOLJZWGESA-N 2 2 264.388 3.315 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1c(F)cccc1F ZINC001246469435 804347814 /nfs/dbraw/zinc/34/78/14/804347814.db2.gz QGXKQUHHYLBQMP-SUNKGSAMSA-N 2 2 268.351 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246477126 804354246 /nfs/dbraw/zinc/35/42/46/804354246.db2.gz VXVJCZNQWHIIAM-XIRDDKMYSA-N 2 2 260.425 3.485 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc(Br)cc1 ZINC001246492041 804359207 /nfs/dbraw/zinc/35/92/07/804359207.db2.gz RVGAWHSUAOTHSM-DDTOSNHZSA-N 2 2 297.240 3.240 20 0 CGADLP CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246523263 804378978 /nfs/dbraw/zinc/37/89/78/804378978.db2.gz FXJVNIPASFQVKW-BBRMVZONSA-N 2 2 292.423 3.031 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246543755 804393814 /nfs/dbraw/zinc/39/38/14/804393814.db2.gz TXICTKWNFAJCFY-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246543755 804393819 /nfs/dbraw/zinc/39/38/19/804393819.db2.gz TXICTKWNFAJCFY-UONOGXRCSA-N 2 2 278.827 3.011 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546079 804394951 /nfs/dbraw/zinc/39/49/51/804394951.db2.gz FFAALLAJYBHISV-HOTGVXAUSA-N 2 2 270.461 3.046 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546079 804394957 /nfs/dbraw/zinc/39/49/57/804394957.db2.gz FFAALLAJYBHISV-HOTGVXAUSA-N 2 2 270.461 3.046 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001246557153 804406054 /nfs/dbraw/zinc/40/60/54/804406054.db2.gz FDEINQAMZCDGLQ-JSGCOSHPSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001246557153 804406056 /nfs/dbraw/zinc/40/60/56/804406056.db2.gz FDEINQAMZCDGLQ-JSGCOSHPSA-N 2 2 266.816 3.084 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246561783 804410080 /nfs/dbraw/zinc/41/00/80/804410080.db2.gz LSVWMVKIJUEASW-CVEARBPZSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246561783 804410085 /nfs/dbraw/zinc/41/00/85/804410085.db2.gz LSVWMVKIJUEASW-CVEARBPZSA-N 2 2 262.372 3.105 20 0 CGADLP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570413 804417408 /nfs/dbraw/zinc/41/74/08/804417408.db2.gz HQSQGHFVJBOHEV-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570413 804417412 /nfs/dbraw/zinc/41/74/12/804417412.db2.gz HQSQGHFVJBOHEV-JKSUJKDBSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@](F)(C[NH3+])C1)C2 ZINC001246580963 804425464 /nfs/dbraw/zinc/42/54/64/804425464.db2.gz OPUJQBJIKPKRDE-SJLPKXTDSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@](F)(C[NH3+])C1)C2 ZINC001246580963 804425467 /nfs/dbraw/zinc/42/54/67/804425467.db2.gz OPUJQBJIKPKRDE-SJLPKXTDSA-N 2 2 290.426 3.005 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585256 804427943 /nfs/dbraw/zinc/42/79/43/804427943.db2.gz ZQQYNIPXPUCIJK-GJZGRUSLSA-N 2 2 258.425 3.354 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246585256 804427948 /nfs/dbraw/zinc/42/79/48/804427948.db2.gz ZQQYNIPXPUCIJK-GJZGRUSLSA-N 2 2 258.425 3.354 20 0 CGADLP Clc1ccc(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246603627 804440700 /nfs/dbraw/zinc/44/07/00/804440700.db2.gz QJLBSELDOIAASI-INIZCTEOSA-N 2 2 278.827 3.271 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649496 804476823 /nfs/dbraw/zinc/47/68/23/804476823.db2.gz BVTAKLQSTHJGSM-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246649496 804476828 /nfs/dbraw/zinc/47/68/28/804476828.db2.gz BVTAKLQSTHJGSM-MAUKXSAKSA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC001246651026 804479320 /nfs/dbraw/zinc/47/93/20/804479320.db2.gz VSCKAXICAGQLHU-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP C[N@H+]([C@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784981 804510428 /nfs/dbraw/zinc/51/04/28/804510428.db2.gz HSIJXRZGVFMKJL-KLZNEWFBSA-N 2 2 262.441 3.029 20 0 CGADLP C[N@@H+]([C@H]1CCCC[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001246784981 804510434 /nfs/dbraw/zinc/51/04/34/804510434.db2.gz HSIJXRZGVFMKJL-KLZNEWFBSA-N 2 2 262.441 3.029 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140785012 804514129 /nfs/dbraw/zinc/51/41/29/804514129.db2.gz JJEKOBLPXPRNTA-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140785012 804514134 /nfs/dbraw/zinc/51/41/34/804514134.db2.gz JJEKOBLPXPRNTA-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP F[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140800103 804518828 /nfs/dbraw/zinc/51/88/28/804518828.db2.gz UWFNJCUZLLWARM-ZDUSSCGKSA-N 2 2 283.297 3.132 20 0 CGADLP F[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140800103 804518831 /nfs/dbraw/zinc/51/88/31/804518831.db2.gz UWFNJCUZLLWARM-ZDUSSCGKSA-N 2 2 283.297 3.132 20 0 CGADLP CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2Cl)CC1 ZINC001246805952 804525902 /nfs/dbraw/zinc/52/59/02/804525902.db2.gz VAUKDPOFCQKJCO-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821027 804534731 /nfs/dbraw/zinc/53/47/31/804534731.db2.gz HPXKPRQYWQIMLW-CABCVRRESA-N 2 2 276.399 3.452 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246821027 804534736 /nfs/dbraw/zinc/53/47/36/804534736.db2.gz HPXKPRQYWQIMLW-CABCVRRESA-N 2 2 276.399 3.452 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843833 804552774 /nfs/dbraw/zinc/55/27/74/804552774.db2.gz FPQQKLFQQNFWFJ-QDMKHBRRSA-N 2 2 250.430 3.314 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843833 804552777 /nfs/dbraw/zinc/55/27/77/804552777.db2.gz FPQQKLFQQNFWFJ-QDMKHBRRSA-N 2 2 250.430 3.314 20 0 CGADLP CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246852325 804561396 /nfs/dbraw/zinc/56/13/96/804561396.db2.gz CSNMWVTXURBKTE-DZGCQCFKSA-N 2 2 296.455 3.380 20 0 CGADLP CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246852325 804561400 /nfs/dbraw/zinc/56/14/00/804561400.db2.gz CSNMWVTXURBKTE-DZGCQCFKSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001246864664 804566990 /nfs/dbraw/zinc/56/69/90/804566990.db2.gz VQIPXNORMUSAOI-BZPMIXESSA-N 2 2 298.883 3.490 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001246864664 804566994 /nfs/dbraw/zinc/56/69/94/804566994.db2.gz VQIPXNORMUSAOI-BZPMIXESSA-N 2 2 298.883 3.490 20 0 CGADLP CC[C@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870200 804571921 /nfs/dbraw/zinc/57/19/21/804571921.db2.gz JOBDOOMONSWIRT-KBPBESRZSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246870200 804571929 /nfs/dbraw/zinc/57/19/29/804571929.db2.gz JOBDOOMONSWIRT-KBPBESRZSA-N 2 2 278.827 3.229 20 0 CGADLP Clc1cccc2c1C[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246869732 804572274 /nfs/dbraw/zinc/57/22/74/804572274.db2.gz ITHIIEWVEAVVEY-CQSZACIVSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1cccc2c1C[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC001246869732 804572276 /nfs/dbraw/zinc/57/22/76/804572276.db2.gz ITHIIEWVEAVVEY-CQSZACIVSA-N 2 2 290.838 3.373 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874011 804572754 /nfs/dbraw/zinc/57/27/54/804572754.db2.gz HYUVEBVENKWBAL-DGCLKSJQSA-N 2 2 298.352 3.204 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874011 804572760 /nfs/dbraw/zinc/57/27/60/804572760.db2.gz HYUVEBVENKWBAL-DGCLKSJQSA-N 2 2 298.352 3.204 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901314 804588486 /nfs/dbraw/zinc/58/84/86/804588486.db2.gz LUTYEBPSQTVELN-IGCXYCKISA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901314 804588487 /nfs/dbraw/zinc/58/84/87/804588487.db2.gz LUTYEBPSQTVELN-IGCXYCKISA-N 2 2 269.392 3.055 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001246901806 804588592 /nfs/dbraw/zinc/58/85/92/804588592.db2.gz OZDLWVOLXRBAMX-SMDDNHRTSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001246901806 804588594 /nfs/dbraw/zinc/58/85/94/804588594.db2.gz OZDLWVOLXRBAMX-SMDDNHRTSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947115 804614555 /nfs/dbraw/zinc/61/45/55/804614555.db2.gz VLUZNEXNZBDNAU-DLBZAZTESA-N 2 2 278.415 3.017 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947115 804614560 /nfs/dbraw/zinc/61/45/60/804614560.db2.gz VLUZNEXNZBDNAU-DLBZAZTESA-N 2 2 278.415 3.017 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946564 804614835 /nfs/dbraw/zinc/61/48/35/804614835.db2.gz QXQBMGGUABEWEF-DLBZAZTESA-N 2 2 278.415 3.161 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246946564 804614852 /nfs/dbraw/zinc/61/48/52/804614852.db2.gz QXQBMGGUABEWEF-DLBZAZTESA-N 2 2 278.415 3.161 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C)c1 ZINC001141237383 804621221 /nfs/dbraw/zinc/62/12/21/804621221.db2.gz QMOJIAGGGVEGNV-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C)c1 ZINC001141237383 804621222 /nfs/dbraw/zinc/62/12/22/804621222.db2.gz QMOJIAGGGVEGNV-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC001141238874 804623270 /nfs/dbraw/zinc/62/32/70/804623270.db2.gz XHPKVHGTMOTGCG-UHFFFAOYSA-N 2 2 277.318 3.102 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC(F)(F)C1 ZINC001141238874 804623272 /nfs/dbraw/zinc/62/32/72/804623272.db2.gz XHPKVHGTMOTGCG-UHFFFAOYSA-N 2 2 277.318 3.102 20 0 CGADLP CCCOc1ccc2[nH+]c(CCCC[NH3+])n(CC)c2c1 ZINC001247043081 804650408 /nfs/dbraw/zinc/65/04/08/804650408.db2.gz SPZTXOSDOHGCDS-UHFFFAOYSA-N 2 2 275.396 3.126 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252718 804961956 /nfs/dbraw/zinc/96/19/56/804961956.db2.gz VUHUHPPLWRYZHV-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252718 804961958 /nfs/dbraw/zinc/96/19/58/804961958.db2.gz VUHUHPPLWRYZHV-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252718 804961964 /nfs/dbraw/zinc/96/19/64/804961964.db2.gz VUHUHPPLWRYZHV-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]21 ZINC001144252718 804961969 /nfs/dbraw/zinc/96/19/69/804961969.db2.gz VUHUHPPLWRYZHV-HKUYNNGSSA-N 2 2 295.430 3.003 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525818 805166431 /nfs/dbraw/zinc/16/64/31/805166431.db2.gz DGIPQJSDQHTLIH-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525818 805166434 /nfs/dbraw/zinc/16/64/34/805166434.db2.gz DGIPQJSDQHTLIH-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP Fc1cc(CCn2cc[nH+]c2)ccc1C[NH+]1CCCCC1 ZINC001250320255 805564563 /nfs/dbraw/zinc/56/45/63/805564563.db2.gz JSCKRGAFBSCPNU-UHFFFAOYSA-N 2 2 287.382 3.251 20 0 CGADLP C[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855213 806993017 /nfs/dbraw/zinc/99/30/17/806993017.db2.gz IJQYPGSONXMKKZ-ZDUSSCGKSA-N 2 2 295.377 3.028 20 0 CGADLP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855213 806993022 /nfs/dbraw/zinc/99/30/22/806993022.db2.gz IJQYPGSONXMKKZ-ZDUSSCGKSA-N 2 2 295.377 3.028 20 0 CGADLP CCC[C@@H](CC)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001257271418 807085742 /nfs/dbraw/zinc/08/57/42/807085742.db2.gz RQWKYRMMFVOFEE-CQSZACIVSA-N 2 2 291.439 3.227 20 0 CGADLP CCCCCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257373748 807130841 /nfs/dbraw/zinc/13/08/41/807130841.db2.gz WLPOSHAENZMAIS-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257373748 807130844 /nfs/dbraw/zinc/13/08/44/807130844.db2.gz WLPOSHAENZMAIS-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001257373748 807130846 /nfs/dbraw/zinc/13/08/46/807130846.db2.gz WLPOSHAENZMAIS-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP CCCCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001257373748 807130852 /nfs/dbraw/zinc/13/08/52/807130852.db2.gz WLPOSHAENZMAIS-JYJNAYRXSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1c[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)cc1C ZINC001167069755 807143034 /nfs/dbraw/zinc/14/30/34/807143034.db2.gz GTTBQGNXZHPGAI-UHFFFAOYSA-N 2 2 293.414 3.471 20 0 CGADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257432349 807153445 /nfs/dbraw/zinc/15/34/45/807153445.db2.gz XCJAOIMRYZIPRS-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001257462790 807167844 /nfs/dbraw/zinc/16/78/44/807167844.db2.gz BUEIIFSLCLBCPQ-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP Cc1ccc2c(NCc3cc[nH+]c(N)c3)cc[nH+]c2c1 ZINC001167619353 807217908 /nfs/dbraw/zinc/21/79/08/807217908.db2.gz YZNOQXNKZOEKQD-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP Cc1[nH+]c(N)ccc1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC001167786975 807251940 /nfs/dbraw/zinc/25/19/40/807251940.db2.gz NDHMRAABRYDKCQ-UHFFFAOYSA-N 2 2 270.380 3.277 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001258005987 807264235 /nfs/dbraw/zinc/26/42/35/807264235.db2.gz AWGUULNEPBBIJQ-UHFFFAOYSA-N 2 2 275.440 3.027 20 0 CGADLP c1cc2c(o1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003267 807297853 /nfs/dbraw/zinc/29/78/53/807297853.db2.gz MOPRLIQJMRDMEB-SJPCQFCGSA-N 2 2 286.419 3.043 20 0 CGADLP c1cc2c(o1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003267 807297857 /nfs/dbraw/zinc/29/78/57/807297857.db2.gz MOPRLIQJMRDMEB-SJPCQFCGSA-N 2 2 286.419 3.043 20 0 CGADLP c1cc2c(o1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003267 807297859 /nfs/dbraw/zinc/29/78/59/807297859.db2.gz MOPRLIQJMRDMEB-SJPCQFCGSA-N 2 2 286.419 3.043 20 0 CGADLP c1cc2c(o1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003267 807297862 /nfs/dbraw/zinc/29/78/62/807297862.db2.gz MOPRLIQJMRDMEB-SJPCQFCGSA-N 2 2 286.419 3.043 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258086841 807300910 /nfs/dbraw/zinc/30/09/10/807300910.db2.gz YSRXMENYALWMBX-CABCVRRESA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258086841 807300919 /nfs/dbraw/zinc/30/09/19/807300919.db2.gz YSRXMENYALWMBX-CABCVRRESA-N 2 2 250.430 3.338 20 0 CGADLP CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258095164 807304551 /nfs/dbraw/zinc/30/45/51/807304551.db2.gz DSRXOPWEVNJBLD-JYJNAYRXSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258095164 807304558 /nfs/dbraw/zinc/30/45/58/807304558.db2.gz DSRXOPWEVNJBLD-JYJNAYRXSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258095164 807304568 /nfs/dbraw/zinc/30/45/68/807304568.db2.gz DSRXOPWEVNJBLD-JYJNAYRXSA-N 2 2 250.430 3.147 20 0 CGADLP CC(C)=CCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258095164 807304575 /nfs/dbraw/zinc/30/45/75/807304575.db2.gz DSRXOPWEVNJBLD-JYJNAYRXSA-N 2 2 250.430 3.147 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140963 807319974 /nfs/dbraw/zinc/31/99/74/807319974.db2.gz PVXRKWAGERNFTO-NVXWUHKLSA-N 2 2 290.426 3.126 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140963 807319983 /nfs/dbraw/zinc/31/99/83/807319983.db2.gz PVXRKWAGERNFTO-NVXWUHKLSA-N 2 2 290.426 3.126 20 0 CGADLP C[C@H]1C[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H](C)C1 ZINC001258168382 807334275 /nfs/dbraw/zinc/33/42/75/807334275.db2.gz NXGXIPKFBMNFEF-PIIMJCKOSA-N 3 2 297.531 3.017 20 0 CGADLP Cc1ccc2cc(NC3(C)CC[NH2+]CC3)[nH+]cc2c1 ZINC001168182724 807336271 /nfs/dbraw/zinc/33/62/71/807336271.db2.gz ZMGKYOKSHKGZLY-UHFFFAOYSA-N 2 2 255.365 3.097 20 0 CGADLP C[NH+](C)C1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001168312427 807378991 /nfs/dbraw/zinc/37/89/91/807378991.db2.gz WIMISUOWHHVWFO-UHFFFAOYSA-N 3 2 298.434 3.054 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC001258236145 807381179 /nfs/dbraw/zinc/38/11/79/807381179.db2.gz PLLOGXUBNPAGGQ-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC001258236145 807381187 /nfs/dbraw/zinc/38/11/87/807381187.db2.gz PLLOGXUBNPAGGQ-INIZCTEOSA-N 2 2 252.446 3.419 20 0 CGADLP FC1(F)CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168373789 807397319 /nfs/dbraw/zinc/39/73/19/807397319.db2.gz UTNRBMXJFPOBDC-UHFFFAOYSA-N 2 2 298.421 3.372 20 0 CGADLP C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CC1C[NH+](C)C1 ZINC001258300880 807404299 /nfs/dbraw/zinc/40/42/99/807404299.db2.gz YGEFKCVGBRRTLP-CYBMUJFWSA-N 2 2 296.480 3.221 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001168703768 807490218 /nfs/dbraw/zinc/49/02/18/807490218.db2.gz AWEZVNNYNIXLSB-KBPBESRZSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001168703768 807490224 /nfs/dbraw/zinc/49/02/24/807490224.db2.gz AWEZVNNYNIXLSB-KBPBESRZSA-N 2 2 290.838 3.024 20 0 CGADLP CCC[C@@H](Cc1ccccc1)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258657270 807528188 /nfs/dbraw/zinc/52/81/88/807528188.db2.gz NZYXNOHAQPRENT-KRWDZBQOSA-N 2 2 297.446 3.464 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258739170 807584546 /nfs/dbraw/zinc/58/45/46/807584546.db2.gz RLNSPPBVNNMCJV-KGLIPLIRSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258739172 807584937 /nfs/dbraw/zinc/58/49/37/807584937.db2.gz RLNSPPBVNNMCJV-ZIAGYGMSSA-N 2 2 280.843 3.345 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125254 807585757 /nfs/dbraw/zinc/58/57/57/807585757.db2.gz XJLYGLCHNGFQOG-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125254 807585761 /nfs/dbraw/zinc/58/57/61/807585761.db2.gz XJLYGLCHNGFQOG-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143337 807590177 /nfs/dbraw/zinc/59/01/77/807590177.db2.gz FFEAJKWWMKOTEL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143337 807590180 /nfs/dbraw/zinc/59/01/80/807590180.db2.gz FFEAJKWWMKOTEL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143337 807590189 /nfs/dbraw/zinc/59/01/89/807590189.db2.gz FFEAJKWWMKOTEL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cc(Cl)ccc3C1)C2 ZINC001169143337 807590194 /nfs/dbraw/zinc/59/01/94/807590194.db2.gz FFEAJKWWMKOTEL-BJWYYQGGSA-N 2 2 290.838 3.323 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2COc3cc(Cl)ccc32)CC1 ZINC001258770005 807604226 /nfs/dbraw/zinc/60/42/26/807604226.db2.gz CAIGRIMLUCCMCR-OAHLLOKOSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001258813662 807630773 /nfs/dbraw/zinc/63/07/73/807630773.db2.gz LEFCAIJCDYEKQR-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001258813662 807630776 /nfs/dbraw/zinc/63/07/76/807630776.db2.gz LEFCAIJCDYEKQR-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258842930 807654075 /nfs/dbraw/zinc/65/40/75/807654075.db2.gz VHYLFTGBHXCCNX-IRXDYDNUSA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258842930 807654080 /nfs/dbraw/zinc/65/40/80/807654080.db2.gz VHYLFTGBHXCCNX-IRXDYDNUSA-N 2 2 272.436 3.224 20 0 CGADLP COc1ccccc1C[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258893482 807666218 /nfs/dbraw/zinc/66/62/18/807666218.db2.gz JZYSNITXFHBMDT-ZBFHGGJFSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001261423240 807742800 /nfs/dbraw/zinc/74/28/00/807742800.db2.gz RSOQOVOUIWQKSF-ISTVAULSSA-N 2 2 270.779 3.270 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CCCC(C)C ZINC001170090813 807755054 /nfs/dbraw/zinc/75/50/54/807755054.db2.gz PYJOAZZOPNRTJR-HNNXBMFYSA-N 2 2 251.418 3.420 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CCCC(C)C ZINC001170090813 807755060 /nfs/dbraw/zinc/75/50/60/807755060.db2.gz PYJOAZZOPNRTJR-HNNXBMFYSA-N 2 2 251.418 3.420 20 0 CGADLP Fc1cccc2c1C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171004362 807957709 /nfs/dbraw/zinc/95/77/09/807957709.db2.gz CMNIQPHVSIOIFQ-MRXNPFEDSA-N 2 2 299.393 3.217 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398276 808045529 /nfs/dbraw/zinc/04/55/29/808045529.db2.gz WXWSUYHCJHIOJB-OAHLLOKOSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398276 808045532 /nfs/dbraw/zinc/04/55/32/808045532.db2.gz WXWSUYHCJHIOJB-OAHLLOKOSA-N 2 2 278.415 3.005 20 0 CGADLP Fc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171420080 808053843 /nfs/dbraw/zinc/05/38/43/808053843.db2.gz YGLBWXIBTPQSHJ-OAHLLOKOSA-N 2 2 295.361 3.121 20 0 CGADLP CCC[NH+]1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171619298 808106491 /nfs/dbraw/zinc/10/64/91/808106491.db2.gz IVIKYYHBGXLVOZ-UHFFFAOYSA-N 3 2 295.515 3.102 20 0 CGADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCCO3)CC2)CC1(C)C ZINC001171639797 808111214 /nfs/dbraw/zinc/11/12/14/808111214.db2.gz UIWIZZMAOPILDY-UHFFFAOYSA-N 2 2 294.483 3.283 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001171654512 808113073 /nfs/dbraw/zinc/11/30/73/808113073.db2.gz VNRMSDHVTUPWMS-KRWDZBQOSA-N 2 2 274.452 3.392 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)cc1 ZINC001171658729 808114263 /nfs/dbraw/zinc/11/42/63/808114263.db2.gz VBPFZMHUZQDDIE-DLBZAZTESA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001171666089 808117667 /nfs/dbraw/zinc/11/76/67/808117667.db2.gz SXGJECGGBUQMDW-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001171666089 808117672 /nfs/dbraw/zinc/11/76/72/808117672.db2.gz SXGJECGGBUQMDW-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172354934 808251454 /nfs/dbraw/zinc/25/14/54/808251454.db2.gz TVBCANVKKRFTIT-HUUCEWRRSA-N 2 2 279.428 3.114 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@@H]1C ZINC001172372986 808267161 /nfs/dbraw/zinc/26/71/61/808267161.db2.gz IMRHVXRXWCGZCX-FGTMMUONSA-N 3 2 297.531 3.017 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172837792 808453763 /nfs/dbraw/zinc/45/37/63/808453763.db2.gz PHGXQKAPHXXINE-CHWSQXEVSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172837792 808453768 /nfs/dbraw/zinc/45/37/68/808453768.db2.gz PHGXQKAPHXXINE-CHWSQXEVSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172856136 808463134 /nfs/dbraw/zinc/46/31/34/808463134.db2.gz CULSSIXGQRBESD-WFASDCNBSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172856136 808463135 /nfs/dbraw/zinc/46/31/35/808463135.db2.gz CULSSIXGQRBESD-WFASDCNBSA-N 2 2 298.833 3.482 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172855332 808463175 /nfs/dbraw/zinc/46/31/75/808463175.db2.gz YRVDOUPGEJTGQX-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172855332 808463178 /nfs/dbraw/zinc/46/31/78/808463178.db2.gz YRVDOUPGEJTGQX-DOMZBBRYSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172860326 808464940 /nfs/dbraw/zinc/46/49/40/808464940.db2.gz CHMRHBNEJHNIRL-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172860326 808464945 /nfs/dbraw/zinc/46/49/45/808464945.db2.gz CHMRHBNEJHNIRL-WFASDCNBSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001172876242 808473503 /nfs/dbraw/zinc/47/35/03/808473503.db2.gz XUOSUBMNUPUAIF-YPMHNXCESA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001172876242 808473504 /nfs/dbraw/zinc/47/35/04/808473504.db2.gz XUOSUBMNUPUAIF-YPMHNXCESA-N 2 2 284.856 3.244 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(OCCC)CC1 ZINC001173091118 808505051 /nfs/dbraw/zinc/50/50/51/808505051.db2.gz NJCLPCVRZFGIBH-UHFFFAOYSA-N 2 2 270.461 3.046 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(OCCC)CC1 ZINC001173091118 808505056 /nfs/dbraw/zinc/50/50/56/808505056.db2.gz NJCLPCVRZFGIBH-UHFFFAOYSA-N 2 2 270.461 3.046 20 0 CGADLP CC[NH+](CC)C1CCC([N@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001173111354 808513617 /nfs/dbraw/zinc/51/36/17/808513617.db2.gz CBLBRWAUCNCTRX-UHFFFAOYSA-N 3 2 295.515 3.056 20 0 CGADLP CC[NH+](CC)C1CCC([N@@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001173111354 808513619 /nfs/dbraw/zinc/51/36/19/808513619.db2.gz CBLBRWAUCNCTRX-UHFFFAOYSA-N 3 2 295.515 3.056 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001173272496 808575877 /nfs/dbraw/zinc/57/58/77/808575877.db2.gz KDGHRQYCISOSHR-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001173272496 808575881 /nfs/dbraw/zinc/57/58/81/808575881.db2.gz KDGHRQYCISOSHR-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)C1 ZINC001173282854 808584242 /nfs/dbraw/zinc/58/42/42/808584242.db2.gz RHXVPYWZAMMGTC-OWYHZJEWSA-N 2 2 299.462 3.024 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccco2)C3)c1 ZINC001275236507 808922802 /nfs/dbraw/zinc/92/28/02/808922802.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccco2)C3)c1 ZINC001275236507 808922813 /nfs/dbraw/zinc/92/28/13/808922813.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC001275236507 808922826 /nfs/dbraw/zinc/92/28/26/808922826.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccco2)C3)c1 ZINC001275236507 808922834 /nfs/dbraw/zinc/92/28/34/808922834.db2.gz VDIZWWRUTFECII-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP CCOc1cc(Nc2ccc3[nH+]ccn3c2)cc(C)[nH+]1 ZINC001174278398 808927427 /nfs/dbraw/zinc/92/74/27/808927427.db2.gz OCEZSYDNVFKWEV-UHFFFAOYSA-N 2 2 268.320 3.180 20 0 CGADLP CC[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001277807008 809098051 /nfs/dbraw/zinc/09/80/51/809098051.db2.gz KDYKLXTYNVVMBQ-GFCCVEGCSA-N 2 2 278.362 3.135 20 0 CGADLP CC[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001277807008 809098057 /nfs/dbraw/zinc/09/80/57/809098057.db2.gz KDYKLXTYNVVMBQ-GFCCVEGCSA-N 2 2 278.362 3.135 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807981 809098418 /nfs/dbraw/zinc/09/84/18/809098418.db2.gz SHUNNPFUOIZGPF-NVXWUHKLSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807981 809098425 /nfs/dbraw/zinc/09/84/25/809098425.db2.gz SHUNNPFUOIZGPF-NVXWUHKLSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807981 809098432 /nfs/dbraw/zinc/09/84/32/809098432.db2.gz SHUNNPFUOIZGPF-NVXWUHKLSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807981 809098437 /nfs/dbraw/zinc/09/84/37/809098437.db2.gz SHUNNPFUOIZGPF-NVXWUHKLSA-N 2 2 275.440 3.101 20 0 CGADLP Cc1cc[nH+]c2cc(Nc3cnn(CC[NH+](C)C)c3)ccc12 ZINC001176449222 809700388 /nfs/dbraw/zinc/70/03/88/809700388.db2.gz IIVRCZZOVWVBOP-UHFFFAOYSA-N 2 2 295.390 3.045 20 0 CGADLP Cc1cccc2[nH+]cc(Nc3ccc[nH+]c3N3CCCC3)n21 ZINC001176748790 809756528 /nfs/dbraw/zinc/75/65/28/809756528.db2.gz BIIVAEZXZKKKFY-UHFFFAOYSA-N 2 2 293.374 3.382 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905944 809956649 /nfs/dbraw/zinc/95/66/49/809956649.db2.gz QJCMTBUILWWPIT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905944 809956654 /nfs/dbraw/zinc/95/66/54/809956654.db2.gz QJCMTBUILWWPIT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905944 809956658 /nfs/dbraw/zinc/95/66/58/809956658.db2.gz QJCMTBUILWWPIT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2F)[C@@H](C)C1 ZINC001179905944 809956661 /nfs/dbraw/zinc/95/66/61/809956661.db2.gz QJCMTBUILWWPIT-YOEHRIQHSA-N 2 2 278.415 3.296 20 0 CGADLP Cc1cc(NC(C)(C)CCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC001186509953 810342227 /nfs/dbraw/zinc/34/22/27/810342227.db2.gz SCKXRYKVPXLSIJ-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001200411759 811688372 /nfs/dbraw/zinc/68/83/72/811688372.db2.gz IKIOCAJUOYNHFM-GVDBMIGSSA-N 2 2 264.457 3.443 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001200411759 811688376 /nfs/dbraw/zinc/68/83/76/811688376.db2.gz IKIOCAJUOYNHFM-GVDBMIGSSA-N 2 2 264.457 3.443 20 0 CGADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC001200901975 811762208 /nfs/dbraw/zinc/76/22/08/811762208.db2.gz OUHFIHDVIXHWTO-UHFFFAOYSA-N 2 2 273.355 3.121 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC001201429802 811842855 /nfs/dbraw/zinc/84/28/55/811842855.db2.gz WYIDLUBNSCLJPZ-JKSUJKDBSA-N 2 2 272.392 3.199 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC001201429802 811842865 /nfs/dbraw/zinc/84/28/65/811842865.db2.gz WYIDLUBNSCLJPZ-JKSUJKDBSA-N 2 2 272.392 3.199 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201567969 811908014 /nfs/dbraw/zinc/90/80/14/811908014.db2.gz MIODVJVSAPBARJ-JYJNAYRXSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201567969 811908020 /nfs/dbraw/zinc/90/80/20/811908020.db2.gz MIODVJVSAPBARJ-JYJNAYRXSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201567969 811908026 /nfs/dbraw/zinc/90/80/26/811908026.db2.gz MIODVJVSAPBARJ-JYJNAYRXSA-N 2 2 252.446 3.229 20 0 CGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201567969 811908034 /nfs/dbraw/zinc/90/80/34/811908034.db2.gz MIODVJVSAPBARJ-JYJNAYRXSA-N 2 2 252.446 3.229 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001203328496 812311733 /nfs/dbraw/zinc/31/17/33/812311733.db2.gz SOMRMLCUJZWDQK-JYYAWHABSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001203328496 812311740 /nfs/dbraw/zinc/31/17/40/812311740.db2.gz SOMRMLCUJZWDQK-JYYAWHABSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(C)c1 ZINC001203744405 812449396 /nfs/dbraw/zinc/44/93/96/812449396.db2.gz CKEWMICUNKVZNQ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(C)c1 ZINC001203744405 812449399 /nfs/dbraw/zinc/44/93/99/812449399.db2.gz CKEWMICUNKVZNQ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1 ZINC001203744405 812449404 /nfs/dbraw/zinc/44/94/04/812449404.db2.gz CKEWMICUNKVZNQ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(C)c1 ZINC001203744405 812449407 /nfs/dbraw/zinc/44/94/07/812449407.db2.gz CKEWMICUNKVZNQ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC001203888371 812481882 /nfs/dbraw/zinc/48/18/82/812481882.db2.gz ZNKACPNDTISJCZ-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC001203888371 812481888 /nfs/dbraw/zinc/48/18/88/812481888.db2.gz ZNKACPNDTISJCZ-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)s1 ZINC001204031574 812526994 /nfs/dbraw/zinc/52/69/94/812526994.db2.gz HBLXHQTVKFDKLR-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP CC[N@H+](Cc1ccnc2ccccc12)C1CC[NH+](C)CC1 ZINC001204087101 812545441 /nfs/dbraw/zinc/54/54/41/812545441.db2.gz KTTJAFASUHOBAM-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1ccnc2ccccc12)C1CC[NH+](C)CC1 ZINC001204087101 812545445 /nfs/dbraw/zinc/54/54/45/812545445.db2.gz KTTJAFASUHOBAM-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)s1 ZINC001204770993 812731453 /nfs/dbraw/zinc/73/14/53/812731453.db2.gz KXLMXRBNULYOJU-CQSZACIVSA-N 2 2 252.427 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)s1 ZINC001204770993 812731463 /nfs/dbraw/zinc/73/14/63/812731463.db2.gz KXLMXRBNULYOJU-CQSZACIVSA-N 2 2 252.427 3.014 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)o1 ZINC001204791291 812738274 /nfs/dbraw/zinc/73/82/74/812738274.db2.gz PQPWLFFOCHZXOJ-QGZVFWFLSA-N 2 2 270.376 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)o1 ZINC001204791291 812738281 /nfs/dbraw/zinc/73/82/81/812738281.db2.gz PQPWLFFOCHZXOJ-QGZVFWFLSA-N 2 2 270.376 3.178 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1C(C)C ZINC001204931919 812781726 /nfs/dbraw/zinc/78/17/26/812781726.db2.gz GOXAEVDPZYXFFL-MRXNPFEDSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1C(C)C ZINC001204931919 812781730 /nfs/dbraw/zinc/78/17/30/812781730.db2.gz GOXAEVDPZYXFFL-MRXNPFEDSA-N 2 2 290.451 3.440 20 0 CGADLP CCCOc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018656 812827944 /nfs/dbraw/zinc/82/79/44/812827944.db2.gz XDGGPARTZUJKRN-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCCOc1cc(F)ccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018656 812827956 /nfs/dbraw/zinc/82/79/56/812827956.db2.gz XDGGPARTZUJKRN-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205075789 812850750 /nfs/dbraw/zinc/85/07/50/812850750.db2.gz NONIJLRQFGKUAH-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205075789 812850761 /nfs/dbraw/zinc/85/07/61/812850761.db2.gz NONIJLRQFGKUAH-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205191097 812903522 /nfs/dbraw/zinc/90/35/22/812903522.db2.gz VZLGAQIXOMDGLS-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205191097 812903527 /nfs/dbraw/zinc/90/35/27/812903527.db2.gz VZLGAQIXOMDGLS-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303302 812940583 /nfs/dbraw/zinc/94/05/83/812940583.db2.gz CIZSVXQBYFSEMZ-OCCSQVGLSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303302 812940588 /nfs/dbraw/zinc/94/05/88/812940588.db2.gz CIZSVXQBYFSEMZ-OCCSQVGLSA-N 2 2 296.842 3.155 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318465 812951385 /nfs/dbraw/zinc/95/13/85/812951385.db2.gz UVSQHPCFCUBOLD-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318465 812951389 /nfs/dbraw/zinc/95/13/89/812951389.db2.gz UVSQHPCFCUBOLD-GXFFZTMASA-N 2 2 284.806 3.204 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1C(C)C ZINC001205330900 812958105 /nfs/dbraw/zinc/95/81/05/812958105.db2.gz AFIWPUJLNTXUPQ-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1C(C)C ZINC001205330900 812958115 /nfs/dbraw/zinc/95/81/15/812958115.db2.gz AFIWPUJLNTXUPQ-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP CO[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC001205517290 812994212 /nfs/dbraw/zinc/99/42/12/812994212.db2.gz MALFQITWGPXVPW-QGZVFWFLSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205807202 813087580 /nfs/dbraw/zinc/08/75/80/813087580.db2.gz YOXOUNKVGRXDFJ-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205807202 813087590 /nfs/dbraw/zinc/08/75/90/813087590.db2.gz YOXOUNKVGRXDFJ-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205816225 813092352 /nfs/dbraw/zinc/09/23/52/813092352.db2.gz KQYUYZAFSSROLU-BXUZGUMPSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205816225 813092361 /nfs/dbraw/zinc/09/23/61/813092361.db2.gz KQYUYZAFSSROLU-BXUZGUMPSA-N 2 2 289.398 3.175 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(C)c1F ZINC001205828415 813099794 /nfs/dbraw/zinc/09/97/94/813099794.db2.gz LBDQLJMQDUIUSQ-ABAIWWIYSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(C)c1F ZINC001205828415 813099804 /nfs/dbraw/zinc/09/98/04/813099804.db2.gz LBDQLJMQDUIUSQ-ABAIWWIYSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840555 813104276 /nfs/dbraw/zinc/10/42/76/813104276.db2.gz HUUFOKIVFJOSQW-WFASDCNBSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840555 813104280 /nfs/dbraw/zinc/10/42/80/813104280.db2.gz HUUFOKIVFJOSQW-WFASDCNBSA-N 2 2 274.433 3.461 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001205856896 813109491 /nfs/dbraw/zinc/10/94/91/813109491.db2.gz ZGGQKJJSNQHTGF-WMLDXEAASA-N 2 2 290.451 3.341 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1OC(C)C ZINC001205856896 813109494 /nfs/dbraw/zinc/10/94/94/813109494.db2.gz ZGGQKJJSNQHTGF-WMLDXEAASA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901192 813122721 /nfs/dbraw/zinc/12/27/21/813122721.db2.gz BSLLKVMKXOPYKK-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205901192 813122726 /nfs/dbraw/zinc/12/27/26/813122726.db2.gz BSLLKVMKXOPYKK-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001205903240 813124673 /nfs/dbraw/zinc/12/46/73/813124673.db2.gz NSNCSVPCVNJZEU-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001205903240 813124676 /nfs/dbraw/zinc/12/46/76/813124676.db2.gz NSNCSVPCVNJZEU-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC001205904278 813125910 /nfs/dbraw/zinc/12/59/10/813125910.db2.gz UCZIJVRSPHPREM-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC001205904278 813125915 /nfs/dbraw/zinc/12/59/15/813125915.db2.gz UCZIJVRSPHPREM-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001206691550 813400382 /nfs/dbraw/zinc/40/03/82/813400382.db2.gz JQDVKFFUZCXKNT-JYYAWHABSA-N 2 2 262.441 3.029 20 0 CGADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC001206691550 813400386 /nfs/dbraw/zinc/40/03/86/813400386.db2.gz JQDVKFFUZCXKNT-JYYAWHABSA-N 2 2 262.441 3.029 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC001207837600 813658809 /nfs/dbraw/zinc/65/88/09/813658809.db2.gz QJYAQZRKNIUQTP-UHFFFAOYSA-N 2 2 280.412 3.031 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC001207837600 813658813 /nfs/dbraw/zinc/65/88/13/813658813.db2.gz QJYAQZRKNIUQTP-UHFFFAOYSA-N 2 2 280.412 3.031 20 0 CGADLP CC[N@H+](CCCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208091198 813691285 /nfs/dbraw/zinc/69/12/85/813691285.db2.gz SFYDCHFECWDMLT-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP CC[N@@H+](CCCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208091198 813691287 /nfs/dbraw/zinc/69/12/87/813691287.db2.gz SFYDCHFECWDMLT-UHFFFAOYSA-N 2 2 252.446 3.373 20 0 CGADLP C[NH+](C)CC1(C[N@H+](C)Cc2ccc(Cl)nc2)CCCC1 ZINC001208186603 813734997 /nfs/dbraw/zinc/73/49/97/813734997.db2.gz WKQXQSDSPOWMST-UHFFFAOYSA-N 2 2 295.858 3.289 20 0 CGADLP C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(Cl)nc2)CCCC1 ZINC001208186603 813735005 /nfs/dbraw/zinc/73/50/05/813735005.db2.gz WKQXQSDSPOWMST-UHFFFAOYSA-N 2 2 295.858 3.289 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942674 813909209 /nfs/dbraw/zinc/90/92/09/813909209.db2.gz QUKJGPREHIERLL-KBAYOESNSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942674 813909218 /nfs/dbraw/zinc/90/92/18/813909218.db2.gz QUKJGPREHIERLL-KBAYOESNSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942674 813909226 /nfs/dbraw/zinc/90/92/26/813909226.db2.gz QUKJGPREHIERLL-KBAYOESNSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1F ZINC001208942674 813909235 /nfs/dbraw/zinc/90/92/35/813909235.db2.gz QUKJGPREHIERLL-KBAYOESNSA-N 2 2 290.426 3.188 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425220 814025481 /nfs/dbraw/zinc/02/54/81/814025481.db2.gz DMIMDSXMRYOJFE-ZBFHGGJFSA-N 2 2 290.426 3.378 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209425220 814025488 /nfs/dbraw/zinc/02/54/88/814025488.db2.gz DMIMDSXMRYOJFE-ZBFHGGJFSA-N 2 2 290.426 3.378 20 0 CGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1c[nH+]ccc1N ZINC001209733933 814123841 /nfs/dbraw/zinc/12/38/41/814123841.db2.gz INZCLRATHSNKRN-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1c[nH+]ccc1N ZINC001209733933 814123849 /nfs/dbraw/zinc/12/38/49/814123849.db2.gz INZCLRATHSNKRN-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2c[nH+]c(N)cc2C)cc1 ZINC001209971912 814223321 /nfs/dbraw/zinc/22/33/21/814223321.db2.gz DKTPJELEXRLUMI-UHFFFAOYSA-N 2 2 256.353 3.172 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2c[nH+]c(N)cc2C)cc1 ZINC001209971912 814223329 /nfs/dbraw/zinc/22/33/29/814223329.db2.gz DKTPJELEXRLUMI-UHFFFAOYSA-N 2 2 256.353 3.172 20 0 CGADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1c[nH+]cn1C ZINC001211251547 814861669 /nfs/dbraw/zinc/86/16/69/814861669.db2.gz JAISYNVBFILUHZ-UHFFFAOYSA-N 2 2 270.380 3.462 20 0 CGADLP C=C(c1ccccc1)c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242894474 823166304 /nfs/dbraw/zinc/16/63/04/823166304.db2.gz QDMXHEULUOQDQZ-UHFFFAOYSA-N 2 2 275.355 3.083 20 0 CGADLP C[C@@H]([C@H](OCCn1cc[nH+]c1)c1ccccc1)[NH+]1CCCC1 ZINC001222134731 816356556 /nfs/dbraw/zinc/35/65/56/816356556.db2.gz LVKBXAOJCBLLQF-WMZOPIPTSA-N 2 2 299.418 3.125 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@]4(CC[NH2+]4)C3)c[nH]c21 ZINC001222282625 816395123 /nfs/dbraw/zinc/39/51/23/816395123.db2.gz LEVBABFFBHCHQM-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]4)C3)c[nH]c21 ZINC001222282625 816395129 /nfs/dbraw/zinc/39/51/29/816395129.db2.gz LEVBABFFBHCHQM-SFHVURJKSA-N 2 2 283.419 3.058 20 0 CGADLP COc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c2ccccc12 ZINC001222335302 816410708 /nfs/dbraw/zinc/41/07/08/816410708.db2.gz FDMYXSCFVNAWMT-UHFFFAOYSA-N 2 2 296.414 3.034 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2c1 ZINC001222344647 816414420 /nfs/dbraw/zinc/41/44/20/816414420.db2.gz BELWXCRCTTXLFE-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c2c1 ZINC001222344647 816414425 /nfs/dbraw/zinc/41/44/25/816414425.db2.gz BELWXCRCTTXLFE-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP COc1cc(C)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243246670 823312497 /nfs/dbraw/zinc/31/24/97/823312497.db2.gz ZVPSQVSTKQCWOM-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001243246670 823312503 /nfs/dbraw/zinc/31/25/03/823312503.db2.gz ZVPSQVSTKQCWOM-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001231877970 818197972 /nfs/dbraw/zinc/19/79/72/818197972.db2.gz CCVHFIRIRLPIHJ-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001231877970 818197977 /nfs/dbraw/zinc/19/79/77/818197977.db2.gz CCVHFIRIRLPIHJ-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001231877970 818197979 /nfs/dbraw/zinc/19/79/79/818197979.db2.gz CCVHFIRIRLPIHJ-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001231877970 818197984 /nfs/dbraw/zinc/19/79/84/818197984.db2.gz CCVHFIRIRLPIHJ-AEFFLSMTSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C)n1 ZINC001232004879 818231206 /nfs/dbraw/zinc/23/12/06/818231206.db2.gz TXQXDFRHQVJTPS-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(C)n1 ZINC001232004879 818231212 /nfs/dbraw/zinc/23/12/12/818231212.db2.gz TXQXDFRHQVJTPS-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnc(C)c(C)c2)C1 ZINC001233163337 818532306 /nfs/dbraw/zinc/53/23/06/818532306.db2.gz XNMSMCHBEBVPFF-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnc(C)c(C)c2)C1 ZINC001233163337 818532313 /nfs/dbraw/zinc/53/23/13/818532313.db2.gz XNMSMCHBEBVPFF-QGZVFWFLSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1C ZINC001235021913 818980524 /nfs/dbraw/zinc/98/05/24/818980524.db2.gz RICTXOONLWAAHQ-PKOBYXMFSA-N 2 2 286.463 3.413 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1C ZINC001235021913 818980529 /nfs/dbraw/zinc/98/05/29/818980529.db2.gz RICTXOONLWAAHQ-PKOBYXMFSA-N 2 2 286.463 3.413 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)c(C)c1Cl ZINC001235102032 819002864 /nfs/dbraw/zinc/00/28/64/819002864.db2.gz GOHLBFVKFXYQBN-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1ccc(C[N@H+]2CCC23CC[NH2+]CC3)c(C)c1Cl ZINC001235102032 819002871 /nfs/dbraw/zinc/00/28/71/819002871.db2.gz GOHLBFVKFXYQBN-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)o1 ZINC001235121393 819011655 /nfs/dbraw/zinc/01/16/55/819011655.db2.gz DCZODVLSPHQTGF-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@]23CC[NH2+]C3)o1 ZINC001235121393 819011661 /nfs/dbraw/zinc/01/16/61/819011661.db2.gz DCZODVLSPHQTGF-WMLDXEAASA-N 2 2 276.424 3.300 20 0 CGADLP COc1c(C)cccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177192 819026416 /nfs/dbraw/zinc/02/64/16/819026416.db2.gz ONRJRPGBQVHOPM-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1c(C)cccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235177192 819026419 /nfs/dbraw/zinc/02/64/19/819026419.db2.gz ONRJRPGBQVHOPM-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CN(C)c1ccc2cc(C[N@H+](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001235347500 819075068 /nfs/dbraw/zinc/07/50/68/819075068.db2.gz PDSRNTWWGNZHTC-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP CN(C)c1ccc2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC001235347500 819075074 /nfs/dbraw/zinc/07/50/74/819075074.db2.gz PDSRNTWWGNZHTC-LJQANCHMSA-N 2 2 297.446 3.090 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001235727679 819155430 /nfs/dbraw/zinc/15/54/30/819155430.db2.gz VVEBMMXNATZJJI-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]2)c1 ZINC001235727679 819155434 /nfs/dbraw/zinc/15/54/34/819155434.db2.gz VVEBMMXNATZJJI-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001235901441 819211041 /nfs/dbraw/zinc/21/10/41/819211041.db2.gz ZTXMVLPWAYNIEC-XQQFMLRXSA-N 2 2 280.378 3.414 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001235901441 819211048 /nfs/dbraw/zinc/21/10/48/819211048.db2.gz ZTXMVLPWAYNIEC-XQQFMLRXSA-N 2 2 280.378 3.414 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925319 819224966 /nfs/dbraw/zinc/22/49/66/819224966.db2.gz HQPWTLYXKDOLGD-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@H]2CC[NH3+])c1F ZINC001235925319 819224970 /nfs/dbraw/zinc/22/49/70/819224970.db2.gz HQPWTLYXKDOLGD-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235946951 819236041 /nfs/dbraw/zinc/23/60/41/819236041.db2.gz FDRIBCOALOAWPV-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1ccc(C(F)(F)F)c(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235946951 819236046 /nfs/dbraw/zinc/23/60/46/819236046.db2.gz FDRIBCOALOAWPV-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP c1ccc(CC[N@@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]2)cc1 ZINC001235948640 819237810 /nfs/dbraw/zinc/23/78/10/819237810.db2.gz RLPQVRQZNOQBSE-HXUWFJFHSA-N 2 2 294.442 3.483 20 0 CGADLP c1ccc(CC[N@H+](Cc2ccccc2)C[C@H]2CCC[NH2+]2)cc1 ZINC001235948640 819237814 /nfs/dbraw/zinc/23/78/14/819237814.db2.gz RLPQVRQZNOQBSE-HXUWFJFHSA-N 2 2 294.442 3.483 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235959990 819247259 /nfs/dbraw/zinc/24/72/59/819247259.db2.gz RCQJQYSYTDOMOS-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235959990 819247265 /nfs/dbraw/zinc/24/72/65/819247265.db2.gz RCQJQYSYTDOMOS-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP CC[N@@H+](Cc1cccc(OC)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235962524 819251220 /nfs/dbraw/zinc/25/12/20/819251220.db2.gz MEQQAPRXFOLRQG-GOSISDBHSA-N 2 2 298.430 3.087 20 0 CGADLP CC[N@H+](Cc1cccc(OC)c1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235962524 819251227 /nfs/dbraw/zinc/25/12/27/819251227.db2.gz MEQQAPRXFOLRQG-GOSISDBHSA-N 2 2 298.430 3.087 20 0 CGADLP CC[N@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001236011724 819275028 /nfs/dbraw/zinc/27/50/28/819275028.db2.gz ZRUQAFDMGWIUJX-CQSZACIVSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@@H+](Cc1cccc2occc21)[C@@H]1CCC[NH2+]C1 ZINC001236011724 819275031 /nfs/dbraw/zinc/27/50/31/819275031.db2.gz ZRUQAFDMGWIUJX-CQSZACIVSA-N 2 2 258.365 3.007 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cc3ccccc3s2)C1 ZINC001236045901 819283944 /nfs/dbraw/zinc/28/39/44/819283944.db2.gz DTLAGVWVGSPXCL-YPMHNXCESA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001236045901 819283948 /nfs/dbraw/zinc/28/39/48/819283948.db2.gz DTLAGVWVGSPXCL-YPMHNXCESA-N 2 2 260.406 3.070 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059429 819291976 /nfs/dbraw/zinc/29/19/76/819291976.db2.gz HSDGLPLIFWAZSU-ZFZWDLNGSA-N 2 2 290.838 3.127 20 0 CGADLP Clc1ccc([C@H]2C[C@H]2C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236059429 819291984 /nfs/dbraw/zinc/29/19/84/819291984.db2.gz HSDGLPLIFWAZSU-ZFZWDLNGSA-N 2 2 290.838 3.127 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236058728 819292962 /nfs/dbraw/zinc/29/29/62/819292962.db2.gz ATGSGRJCBDQOQZ-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236058728 819292963 /nfs/dbraw/zinc/29/29/63/819292963.db2.gz ATGSGRJCBDQOQZ-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+](CC[NH2+]C)Cc1cccc2c(F)cccc12 ZINC001236145960 819346927 /nfs/dbraw/zinc/34/69/27/819346927.db2.gz RQCUVDNASPNTME-UHFFFAOYSA-N 2 2 260.356 3.020 20 0 CGADLP CC[N@@H+](CC[NH2+]C)Cc1cccc2c(F)cccc12 ZINC001236145960 819346934 /nfs/dbraw/zinc/34/69/34/819346934.db2.gz RQCUVDNASPNTME-UHFFFAOYSA-N 2 2 260.356 3.020 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236171703 819354589 /nfs/dbraw/zinc/35/45/89/819354589.db2.gz DFPOKDOIRWIWPU-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236171703 819354595 /nfs/dbraw/zinc/35/45/95/819354595.db2.gz DFPOKDOIRWIWPU-QGZVFWFLSA-N 2 2 295.430 3.296 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236216897 819381899 /nfs/dbraw/zinc/38/18/99/819381899.db2.gz MBRRUAPMZZRTFI-IRXDYDNUSA-N 2 2 298.434 3.087 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236216897 819381901 /nfs/dbraw/zinc/38/19/01/819381901.db2.gz MBRRUAPMZZRTFI-IRXDYDNUSA-N 2 2 298.434 3.087 20 0 CGADLP CSc1ccc(Cl)cc1C[NH+]1CCC[NH2+]CCC1 ZINC001236240312 819400366 /nfs/dbraw/zinc/40/03/66/819400366.db2.gz LGKYSCGDPKDXCQ-UHFFFAOYSA-N 2 2 284.856 3.247 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001236252438 819406607 /nfs/dbraw/zinc/40/66/07/819406607.db2.gz LPLYIVXTYLUBLA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(COc2ccccc2)cc1 ZINC001236252438 819406613 /nfs/dbraw/zinc/40/66/13/819406613.db2.gz LPLYIVXTYLUBLA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CCC[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236323085 819424913 /nfs/dbraw/zinc/42/49/13/819424913.db2.gz DCPCCJHQLWGUJK-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236323085 819424915 /nfs/dbraw/zinc/42/49/15/819424915.db2.gz DCPCCJHQLWGUJK-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP c1cn(Cc2ccccc2-c2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC001236352688 819431222 /nfs/dbraw/zinc/43/12/22/819431222.db2.gz IIUQSWCIEDAEOO-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410731 819457744 /nfs/dbraw/zinc/45/77/44/819457744.db2.gz KGTWQAMEPWBRIM-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(C)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236410731 819457748 /nfs/dbraw/zinc/45/77/48/819457748.db2.gz KGTWQAMEPWBRIM-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1C(C)C ZINC001236416918 819461971 /nfs/dbraw/zinc/46/19/71/819461971.db2.gz AJCBSLINCASWGC-PBHICJAKSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1C(C)C ZINC001236416918 819461975 /nfs/dbraw/zinc/46/19/75/819461975.db2.gz AJCBSLINCASWGC-PBHICJAKSA-N 2 2 290.451 3.439 20 0 CGADLP Cc1csc2sc(C[N@H+]3CC[C@@](F)(C[NH3+])C3)c(C)c12 ZINC001236435670 819478339 /nfs/dbraw/zinc/47/83/39/819478339.db2.gz UUTLYRWVQCXBPF-CQSZACIVSA-N 2 2 298.452 3.452 20 0 CGADLP Cc1csc2sc(C[N@@H+]3CC[C@@](F)(C[NH3+])C3)c(C)c12 ZINC001236435670 819478335 /nfs/dbraw/zinc/47/83/35/819478335.db2.gz UUTLYRWVQCXBPF-CQSZACIVSA-N 2 2 298.452 3.452 20 0 CGADLP CCc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236467370 819488920 /nfs/dbraw/zinc/48/89/20/819488920.db2.gz CIHHTEZCLSLANZ-CYBMUJFWSA-N 2 2 266.454 3.273 20 0 CGADLP CCc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)s1 ZINC001236467370 819488923 /nfs/dbraw/zinc/48/89/23/819488923.db2.gz CIHHTEZCLSLANZ-CYBMUJFWSA-N 2 2 266.454 3.273 20 0 CGADLP Cc1ccsc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236469694 819491017 /nfs/dbraw/zinc/49/10/17/819491017.db2.gz VMUBEUPAJCWTLG-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccsc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236469694 819491020 /nfs/dbraw/zinc/49/10/20/819491020.db2.gz VMUBEUPAJCWTLG-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478099 819495253 /nfs/dbraw/zinc/49/52/53/819495253.db2.gz XVLYLLUYFDSSON-MRXNPFEDSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1c(F)cc(F)cc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478099 819495257 /nfs/dbraw/zinc/49/52/57/819495257.db2.gz XVLYLLUYFDSSON-MRXNPFEDSA-N 2 2 296.405 3.483 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565637 819538641 /nfs/dbraw/zinc/53/86/41/819538641.db2.gz KHWSAJNWDCFUHB-JFIYKMOQSA-N 3 2 293.499 3.033 20 0 CGADLP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC001236565637 819538643 /nfs/dbraw/zinc/53/86/43/819538643.db2.gz KHWSAJNWDCFUHB-JFIYKMOQSA-N 3 2 293.499 3.033 20 0 CGADLP c1csc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236645756 819559722 /nfs/dbraw/zinc/55/97/22/819559722.db2.gz BJKLUMRYTLTTNZ-AWEZNQCLSA-N 2 2 264.438 3.245 20 0 CGADLP c1csc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236645756 819559726 /nfs/dbraw/zinc/55/97/26/819559726.db2.gz BJKLUMRYTLTTNZ-AWEZNQCLSA-N 2 2 264.438 3.245 20 0 CGADLP CCC[N@@H+](Cc1c(F)cc(C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236844195 819619733 /nfs/dbraw/zinc/61/97/33/819619733.db2.gz UXQQPNRGFZBAJD-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CCC[N@H+](Cc1c(F)cc(C)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236844195 819619736 /nfs/dbraw/zinc/61/97/36/819619736.db2.gz UXQQPNRGFZBAJD-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913317 819637369 /nfs/dbraw/zinc/63/73/69/819637369.db2.gz MLEXSRKIDSPWJJ-GFCCVEGCSA-N 2 2 275.783 3.368 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236913317 819637373 /nfs/dbraw/zinc/63/73/73/819637373.db2.gz MLEXSRKIDSPWJJ-GFCCVEGCSA-N 2 2 275.783 3.368 20 0 CGADLP c1ccc2c(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccnc2c1 ZINC001237145362 819678577 /nfs/dbraw/zinc/67/85/77/819678577.db2.gz NJFKFEHZTKIXKC-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccnc2c1 ZINC001237145362 819678580 /nfs/dbraw/zinc/67/85/80/819678580.db2.gz NJFKFEHZTKIXKC-KRWDZBQOSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC001237155893 819682780 /nfs/dbraw/zinc/68/27/80/819682780.db2.gz USEPEVJNJAYVBW-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC001237155893 819682784 /nfs/dbraw/zinc/68/27/84/819682784.db2.gz USEPEVJNJAYVBW-MRXNPFEDSA-N 2 2 278.465 3.471 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237404705 819745845 /nfs/dbraw/zinc/74/58/45/819745845.db2.gz OWUNVBXQBSGMFH-YPMHNXCESA-N 2 2 282.478 3.044 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237404705 819745850 /nfs/dbraw/zinc/74/58/50/819745850.db2.gz OWUNVBXQBSGMFH-YPMHNXCESA-N 2 2 282.478 3.044 20 0 CGADLP COc1ccoc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001237873635 819863971 /nfs/dbraw/zinc/86/39/71/819863971.db2.gz HIUNENMGELXRDW-LSDHHAIUSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001237873635 819863973 /nfs/dbraw/zinc/86/39/73/819863973.db2.gz HIUNENMGELXRDW-LSDHHAIUSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237873635 819863984 /nfs/dbraw/zinc/86/39/84/819863984.db2.gz HIUNENMGELXRDW-LSDHHAIUSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001237873635 819863996 /nfs/dbraw/zinc/86/39/96/819863996.db2.gz HIUNENMGELXRDW-LSDHHAIUSA-N 2 2 292.423 3.127 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111269 819935555 /nfs/dbraw/zinc/93/55/55/819935555.db2.gz STEGCWDFBVLEGD-AWEZNQCLSA-N 2 2 277.371 3.281 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238111269 819935558 /nfs/dbraw/zinc/93/55/58/819935558.db2.gz STEGCWDFBVLEGD-AWEZNQCLSA-N 2 2 277.371 3.281 20 0 CGADLP CCOc1ccc(C)c(C[N@H+](CC)CCn2cc[nH+]c2)c1 ZINC001238714437 820097284 /nfs/dbraw/zinc/09/72/84/820097284.db2.gz UJMPQGMMPNMOHN-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1ccc(C)c(C[N@@H+](CC)CCn2cc[nH+]c2)c1 ZINC001238714437 820097291 /nfs/dbraw/zinc/09/72/91/820097291.db2.gz UJMPQGMMPNMOHN-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239482026 820332374 /nfs/dbraw/zinc/33/23/74/820332374.db2.gz ZFZWLNRXSXSAIW-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239482026 820332386 /nfs/dbraw/zinc/33/23/86/820332386.db2.gz ZFZWLNRXSXSAIW-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001239823806 820638771 /nfs/dbraw/zinc/63/87/71/820638771.db2.gz WMHMYOCIPPZPDD-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001239823806 820638776 /nfs/dbraw/zinc/63/87/76/820638776.db2.gz WMHMYOCIPPZPDD-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP COCc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239954062 820735895 /nfs/dbraw/zinc/73/58/95/820735895.db2.gz OPTDYUZPCZNTIP-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239954062 820735901 /nfs/dbraw/zinc/73/59/01/820735901.db2.gz OPTDYUZPCZNTIP-GOSISDBHSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001240953639 821440443 /nfs/dbraw/zinc/44/04/43/821440443.db2.gz SEFNKBSRXPIQLY-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001240953639 821440445 /nfs/dbraw/zinc/44/04/45/821440445.db2.gz SEFNKBSRXPIQLY-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(-c3cc[nH+]c(N)c3)cc21 ZINC001241169754 821614434 /nfs/dbraw/zinc/61/44/34/821614434.db2.gz AUMYKRNDVCVAJZ-UHFFFAOYSA-N 2 2 265.360 3.332 20 0 CGADLP Nc1cc(-c2ccccc2CO[C@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 ZINC001241175446 821617690 /nfs/dbraw/zinc/61/76/90/821617690.db2.gz BQUVFMIJDLRKHW-IRXDYDNUSA-N 2 2 297.402 3.117 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241354845 821755604 /nfs/dbraw/zinc/75/56/04/821755604.db2.gz CPIIIYUVVDDOIN-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001241354845 821755611 /nfs/dbraw/zinc/75/56/11/821755611.db2.gz CPIIIYUVVDDOIN-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC001340969503 936421755 /nfs/dbraw/zinc/42/17/55/936421755.db2.gz RPUDVEKBZMMWJZ-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc(C)sc2C)C1 ZINC001340969503 936421757 /nfs/dbraw/zinc/42/17/57/936421757.db2.gz RPUDVEKBZMMWJZ-BXUZGUMPSA-N 2 2 281.469 3.142 20 0 CGADLP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084528 932676221 /nfs/dbraw/zinc/67/62/21/932676221.db2.gz NBTPWRKNZOVENU-QLPKVWCKSA-N 2 2 297.402 3.186 20 0 CGADLP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084528 932676222 /nfs/dbraw/zinc/67/62/22/932676222.db2.gz NBTPWRKNZOVENU-QLPKVWCKSA-N 2 2 297.402 3.186 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC001462331283 937633363 /nfs/dbraw/zinc/63/33/63/937633363.db2.gz ALWUQCRWKHHGHJ-UONOGXRCSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC001462331283 937633364 /nfs/dbraw/zinc/63/33/64/937633364.db2.gz ALWUQCRWKHHGHJ-UONOGXRCSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001462384179 937636604 /nfs/dbraw/zinc/63/66/04/937636604.db2.gz CMMYHLJUILWPSX-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001462384179 937636605 /nfs/dbraw/zinc/63/66/05/937636605.db2.gz CMMYHLJUILWPSX-HOTGVXAUSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC001462386486 937637499 /nfs/dbraw/zinc/63/74/99/937637499.db2.gz KMSVZMNQYNJTSP-WCXIOVBPSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1(C)C ZINC001462386486 937637500 /nfs/dbraw/zinc/63/75/00/937637500.db2.gz KMSVZMNQYNJTSP-WCXIOVBPSA-N 2 2 294.483 3.185 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC001306946442 932900733 /nfs/dbraw/zinc/90/07/33/932900733.db2.gz QAIGQGRWIMOUKC-MRXNPFEDSA-N 2 2 290.455 3.414 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC001306946442 932900742 /nfs/dbraw/zinc/90/07/42/932900742.db2.gz QAIGQGRWIMOUKC-MRXNPFEDSA-N 2 2 290.455 3.414 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC001308261673 933083080 /nfs/dbraw/zinc/08/30/80/933083080.db2.gz SSUASTGKCKTOKR-HOTGVXAUSA-N 2 2 290.451 3.132 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1CCC2 ZINC001308450964 933112600 /nfs/dbraw/zinc/11/26/00/933112600.db2.gz LUQWQKGAVTWPLK-RTBURBONSA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1CCC2 ZINC001308450964 933112601 /nfs/dbraw/zinc/11/26/01/933112601.db2.gz LUQWQKGAVTWPLK-RTBURBONSA-N 2 2 284.447 3.282 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC001308544877 933128145 /nfs/dbraw/zinc/12/81/45/933128145.db2.gz XBKUZAYEWVZLEM-NNTXTVRGSA-N 2 2 280.362 3.052 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC001308544877 933128146 /nfs/dbraw/zinc/12/81/46/933128146.db2.gz XBKUZAYEWVZLEM-NNTXTVRGSA-N 2 2 280.362 3.052 20 0 CGADLP COC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCCCC1 ZINC001308613940 933143498 /nfs/dbraw/zinc/14/34/98/933143498.db2.gz QWDPZDMZJWRVHG-UHFFFAOYSA-N 2 2 291.439 3.329 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001308779877 933174972 /nfs/dbraw/zinc/17/49/72/933174972.db2.gz VNRBFDURXBAIAG-XIRDDKMYSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC001308779877 933174977 /nfs/dbraw/zinc/17/49/77/933174977.db2.gz VNRBFDURXBAIAG-XIRDDKMYSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001319660248 933911488 /nfs/dbraw/zinc/91/14/88/933911488.db2.gz OBAFAQMAKONAPP-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001319660248 933911490 /nfs/dbraw/zinc/91/14/90/933911490.db2.gz OBAFAQMAKONAPP-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC001319660248 933911492 /nfs/dbraw/zinc/91/14/92/933911492.db2.gz OBAFAQMAKONAPP-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC001319660248 933911493 /nfs/dbraw/zinc/91/14/93/933911493.db2.gz OBAFAQMAKONAPP-HNNXBMFYSA-N 2 2 264.388 3.132 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001320051411 933987795 /nfs/dbraw/zinc/98/77/95/933987795.db2.gz IWOBRLCWEKQFTD-WBMJQRKESA-N 2 2 285.366 3.416 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001320051411 933987801 /nfs/dbraw/zinc/98/78/01/933987801.db2.gz IWOBRLCWEKQFTD-WBMJQRKESA-N 2 2 285.366 3.416 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001322523213 934310109 /nfs/dbraw/zinc/31/01/09/934310109.db2.gz QFGQMMREFOHIDG-OCCSQVGLSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]c2ccccc12 ZINC001324208043 934471221 /nfs/dbraw/zinc/47/12/21/934471221.db2.gz VDALVQMTGKTSKA-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)[nH+]c2ccccc12 ZINC001324208043 934471223 /nfs/dbraw/zinc/47/12/23/934471223.db2.gz VDALVQMTGKTSKA-IBGZPJMESA-N 2 2 295.430 3.465 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC001324703759 934553254 /nfs/dbraw/zinc/55/32/54/934553254.db2.gz AGXBZLNTZXSQGL-INIZCTEOSA-N 2 2 299.462 3.420 20 0 CGADLP CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001334797472 936115301 /nfs/dbraw/zinc/11/53/01/936115301.db2.gz DOHHLEIHRPTUOI-TZMCWYRMSA-N 2 2 267.442 3.180 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335253810 936135562 /nfs/dbraw/zinc/13/55/62/936135562.db2.gz PAAZGSKHTIZDKG-HSHDSVGOSA-N 2 2 281.403 3.028 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(F)cc(C)[nH+]1 ZINC001336595782 936199904 /nfs/dbraw/zinc/19/99/04/936199904.db2.gz OEZSKFLEFUIQQY-UHFFFAOYSA-N 2 2 290.386 3.205 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC001473952797 937831933 /nfs/dbraw/zinc/83/19/33/937831933.db2.gz RDVSYCSRWSLJCX-HNNXBMFYSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)CC(C)(C)C1 ZINC001474033860 937836587 /nfs/dbraw/zinc/83/65/87/937836587.db2.gz CYEFODJIXFONHJ-LZWOXQAQSA-N 2 2 284.513 3.228 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCC(F)F)C[N@@H+]1Cc1ccccc1 ZINC001474296869 937849086 /nfs/dbraw/zinc/84/90/86/937849086.db2.gz JTKBYCHWLSCRJI-AWEZNQCLSA-N 2 2 282.378 3.284 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCC(F)F)C[N@H+]1Cc1ccccc1 ZINC001474296869 937849088 /nfs/dbraw/zinc/84/90/88/937849088.db2.gz JTKBYCHWLSCRJI-AWEZNQCLSA-N 2 2 282.378 3.284 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC001474538530 937865842 /nfs/dbraw/zinc/86/58/42/937865842.db2.gz VREBVWFDJKKCEY-RCCFBDPRSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC001474538530 937865844 /nfs/dbraw/zinc/86/58/44/937865844.db2.gz VREBVWFDJKKCEY-RCCFBDPRSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001474623464 937871022 /nfs/dbraw/zinc/87/10/22/937871022.db2.gz REBYYHWMYBGITD-AWEZNQCLSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001474623464 937871023 /nfs/dbraw/zinc/87/10/23/937871023.db2.gz REBYYHWMYBGITD-AWEZNQCLSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001474623465 937871280 /nfs/dbraw/zinc/87/12/80/937871280.db2.gz REBYYHWMYBGITD-CQSZACIVSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001474623465 937871282 /nfs/dbraw/zinc/87/12/82/937871282.db2.gz REBYYHWMYBGITD-CQSZACIVSA-N 2 2 298.833 3.484 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001474634772 937871867 /nfs/dbraw/zinc/87/18/67/937871867.db2.gz YMRNBSMSXPWTNW-QGZVFWFLSA-N 2 2 274.452 3.210 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001474634772 937871869 /nfs/dbraw/zinc/87/18/69/937871869.db2.gz YMRNBSMSXPWTNW-QGZVFWFLSA-N 2 2 274.452 3.210 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651773 937873223 /nfs/dbraw/zinc/87/32/23/937873223.db2.gz ZTGOJUVFEPHENZ-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651773 937873225 /nfs/dbraw/zinc/87/32/25/937873225.db2.gz ZTGOJUVFEPHENZ-ZBFHGGJFSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651772 937873291 /nfs/dbraw/zinc/87/32/91/937873291.db2.gz ZTGOJUVFEPHENZ-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651772 937873293 /nfs/dbraw/zinc/87/32/93/937873293.db2.gz ZTGOJUVFEPHENZ-HOCLYGCPSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549118284 938000936 /nfs/dbraw/zinc/00/09/36/938000936.db2.gz YFSXGRCLHRPKPS-XJKSGUPXSA-N 2 2 293.480 3.047 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@@]3(C[NH3+])C2)cs1 ZINC001549118284 938000937 /nfs/dbraw/zinc/00/09/37/938000937.db2.gz YFSXGRCLHRPKPS-XJKSGUPXSA-N 2 2 293.480 3.047 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001548900649 938153555 /nfs/dbraw/zinc/15/35/55/938153555.db2.gz RQXRLTKAGCELSY-CQSZACIVSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001548900649 938153556 /nfs/dbraw/zinc/15/35/56/938153556.db2.gz RQXRLTKAGCELSY-CQSZACIVSA-N 2 2 297.393 3.425 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1N(C)C ZINC001551376632 938180409 /nfs/dbraw/zinc/18/04/09/938180409.db2.gz BJGCQQOPZNVAHZ-IRWQIABSSA-N 2 2 295.430 3.028 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001551379354 938180793 /nfs/dbraw/zinc/18/07/93/938180793.db2.gz XFMVWLZZDYXALO-OTWHNJEPSA-N 2 2 278.399 3.352 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccc(F)c1 ZINC001551379273 938180816 /nfs/dbraw/zinc/18/08/16/938180816.db2.gz WEKNCBJRXWVGCF-JECHBYEQSA-N 2 2 270.351 3.101 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929139 938284404 /nfs/dbraw/zinc/28/44/04/938284404.db2.gz OBAAABREPIIUAD-ILXRZTDVSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929139 938284406 /nfs/dbraw/zinc/28/44/06/938284406.db2.gz OBAAABREPIIUAD-ILXRZTDVSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cc2ccccc2c(N(C)CC[NH+]2CCCC2)[nH+]1 ZINC001165140063 958842989 /nfs/dbraw/zinc/84/29/89/958842989.db2.gz GOCKUGICIDJMLE-UHFFFAOYSA-N 2 2 269.392 3.075 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001574980532 962346285 /nfs/dbraw/zinc/34/62/85/962346285.db2.gz UCUNTUMCQRRWDF-NKAIQICCSA-N 2 2 266.388 3.380 20 0 CGADLP CC(C)(C)OCCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001575250417 962357380 /nfs/dbraw/zinc/35/73/80/962357380.db2.gz TYCORWFZPYIIFI-UHFFFAOYSA-N 2 2 278.440 3.043 20 0 CGADLP CC(C)(C)OCCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001575250417 962357393 /nfs/dbraw/zinc/35/73/93/962357393.db2.gz TYCORWFZPYIIFI-UHFFFAOYSA-N 2 2 278.440 3.043 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])s1 ZINC001577608632 962557778 /nfs/dbraw/zinc/55/77/78/962557778.db2.gz JNSYDNGUVAQATQ-WFASDCNBSA-N 2 2 264.438 3.014 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])s1 ZINC001577608632 962557791 /nfs/dbraw/zinc/55/77/91/962557791.db2.gz JNSYDNGUVAQATQ-WFASDCNBSA-N 2 2 264.438 3.014 20 0 CGADLP CNc1ccc(C)cc1C[N@H+](CC[NH3+])CCc1ccccc1 ZINC001578757827 962603845 /nfs/dbraw/zinc/60/38/45/962603845.db2.gz YYOHQTMSWBTDAT-UHFFFAOYSA-N 2 2 297.446 3.040 20 0 CGADLP CNc1ccc(C)cc1C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC001578757827 962603855 /nfs/dbraw/zinc/60/38/55/962603855.db2.gz YYOHQTMSWBTDAT-UHFFFAOYSA-N 2 2 297.446 3.040 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000124381431 187134617 /nfs/dbraw/zinc/13/46/17/187134617.db2.gz BCEJQCOLBIXVBW-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+]1CCCC[C@H]1C ZINC000337388642 214046431 /nfs/dbraw/zinc/04/64/31/214046431.db2.gz JKZDANZZUOGCQZ-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@H+]1CCCC[C@H]1C ZINC000337388642 214046433 /nfs/dbraw/zinc/04/64/33/214046433.db2.gz JKZDANZZUOGCQZ-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000124381431 187134618 /nfs/dbraw/zinc/13/46/18/187134618.db2.gz BCEJQCOLBIXVBW-UHFFFAOYSA-N 2 2 263.772 3.059 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421618 300222408 /nfs/dbraw/zinc/22/24/08/300222408.db2.gz NMLCVMOYPFVEOK-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421618 300222409 /nfs/dbraw/zinc/22/24/09/300222409.db2.gz NMLCVMOYPFVEOK-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337446245 214086100 /nfs/dbraw/zinc/08/61/00/214086100.db2.gz GRSNERWALIWVPG-AAEUAGOBSA-N 2 2 278.362 3.181 20 0 CGADLP O=C(CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000294957905 199270276 /nfs/dbraw/zinc/27/02/76/199270276.db2.gz NBNSDTVWIKWVAK-MRXNPFEDSA-N 2 2 297.402 3.252 20 0 CGADLP O=C(CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000294957905 199270278 /nfs/dbraw/zinc/27/02/78/199270278.db2.gz NBNSDTVWIKWVAK-MRXNPFEDSA-N 2 2 297.402 3.252 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000337643306 214194617 /nfs/dbraw/zinc/19/46/17/214194617.db2.gz HBZDCRYVKRCUNA-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000337643306 214194618 /nfs/dbraw/zinc/19/46/18/214194618.db2.gz HBZDCRYVKRCUNA-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)s1 ZINC000621721495 349565610 /nfs/dbraw/zinc/56/56/10/349565610.db2.gz QRJFXZNYMFWEJG-BBRMVZONSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)s1 ZINC000621721495 349565613 /nfs/dbraw/zinc/56/56/13/349565613.db2.gz QRJFXZNYMFWEJG-BBRMVZONSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)s1 ZINC000621721495 349565615 /nfs/dbraw/zinc/56/56/15/349565615.db2.gz QRJFXZNYMFWEJG-BBRMVZONSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000621721495 349565617 /nfs/dbraw/zinc/56/56/17/349565617.db2.gz QRJFXZNYMFWEJG-BBRMVZONSA-N 2 2 278.465 3.227 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000651911533 398306177 /nfs/dbraw/zinc/30/61/77/398306177.db2.gz DPCPHRLWUDUXOV-RMRHIDDWSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C[N@H+]1C1CC1 ZINC000651911533 398306181 /nfs/dbraw/zinc/30/61/81/398306181.db2.gz DPCPHRLWUDUXOV-RMRHIDDWSA-N 2 2 250.430 3.026 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000652207059 398327375 /nfs/dbraw/zinc/32/73/75/398327375.db2.gz BLHFBHWQTOKKJG-SFHVURJKSA-N 2 2 298.434 3.269 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000449061264 529430340 /nfs/dbraw/zinc/43/03/40/529430340.db2.gz IBLNIQNJBIFVJP-QILLFSRXSA-N 2 2 299.418 3.481 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC[NH2+]C ZINC000423225188 529498696 /nfs/dbraw/zinc/49/86/96/529498696.db2.gz LQWUUEVQTKBGGD-LBPRGKRZSA-N 2 2 260.381 3.174 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000591083076 346899793 /nfs/dbraw/zinc/89/97/93/346899793.db2.gz ZPWRUYRPNLJOTQ-ZDUSSCGKSA-N 2 2 288.395 3.006 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000591083076 346899797 /nfs/dbraw/zinc/89/97/97/346899797.db2.gz ZPWRUYRPNLJOTQ-ZDUSSCGKSA-N 2 2 288.395 3.006 20 0 CGADLP CC[C@@H](F)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000440500455 529553375 /nfs/dbraw/zinc/55/33/75/529553375.db2.gz BWXPHRMVIBXBIP-TZMCWYRMSA-N 2 2 261.344 3.271 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423457088 529568103 /nfs/dbraw/zinc/56/81/03/529568103.db2.gz FIMOFFOJZIUDDR-UONOGXRCSA-N 2 2 285.391 3.262 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC000423510495 529610469 /nfs/dbraw/zinc/61/04/69/529610469.db2.gz SJPJWOPUMOLHRD-PVARCSIZSA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@@H]1C ZINC000414057491 529627235 /nfs/dbraw/zinc/62/72/35/529627235.db2.gz FZBZVZDFTALCSB-WBAXXEDZSA-N 2 2 283.419 3.456 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361654 349789149 /nfs/dbraw/zinc/78/91/49/349789149.db2.gz JECZNBBBEDVCKC-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361654 349789150 /nfs/dbraw/zinc/78/91/50/349789150.db2.gz JECZNBBBEDVCKC-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000424334241 529656225 /nfs/dbraw/zinc/65/62/25/529656225.db2.gz NMETVFHFKXAHRN-QLFBSQMISA-N 2 2 268.351 3.275 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000368101940 529661156 /nfs/dbraw/zinc/66/11/56/529661156.db2.gz LUYULPXGPJTWKV-KGLIPLIRSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000368101940 529661159 /nfs/dbraw/zinc/66/11/59/529661159.db2.gz LUYULPXGPJTWKV-KGLIPLIRSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(F)ccc1F ZINC000423544340 529669641 /nfs/dbraw/zinc/66/96/41/529669641.db2.gz CNVAPWVQFHDIIA-WFASDCNBSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000423568562 529670013 /nfs/dbraw/zinc/67/00/13/529670013.db2.gz VORVMCQXWMIVSR-WFASDCNBSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1OC(F)F ZINC000423369756 529673755 /nfs/dbraw/zinc/67/37/55/529673755.db2.gz TUZYFEUAZTWZGQ-XBFCOCLRSA-N 2 2 298.377 3.327 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431953 349807935 /nfs/dbraw/zinc/80/79/35/349807935.db2.gz YOJJHVZHGMYYSG-ZIAGYGMSSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cnc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431953 349807939 /nfs/dbraw/zinc/80/79/39/349807939.db2.gz YOJJHVZHGMYYSG-ZIAGYGMSSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591867316 346942538 /nfs/dbraw/zinc/94/25/38/346942538.db2.gz OTIYCDFGRKJANR-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591867316 346942541 /nfs/dbraw/zinc/94/25/41/346942541.db2.gz OTIYCDFGRKJANR-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000591868801 346943752 /nfs/dbraw/zinc/94/37/52/346943752.db2.gz FGBBTHRXNBPBGG-CQSZACIVSA-N 2 2 290.436 3.300 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000591868801 346943758 /nfs/dbraw/zinc/94/37/58/346943758.db2.gz FGBBTHRXNBPBGG-CQSZACIVSA-N 2 2 290.436 3.300 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(C)=O)c2)CC1 ZINC000295064716 199326996 /nfs/dbraw/zinc/32/69/96/199326996.db2.gz PSQUEUAUXSXDOE-UHFFFAOYSA-N 2 2 288.435 3.195 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(C)=O)c2)CC1 ZINC000295064716 199326998 /nfs/dbraw/zinc/32/69/98/199326998.db2.gz PSQUEUAUXSXDOE-UHFFFAOYSA-N 2 2 288.435 3.195 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623624075 349850936 /nfs/dbraw/zinc/85/09/36/349850936.db2.gz RAWWPTJMLGXAMR-INIZCTEOSA-N 2 2 283.419 3.330 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000128094679 187350882 /nfs/dbraw/zinc/35/08/82/187350882.db2.gz IBPOPAPYNSNIBF-NXHRZFHOSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCCC34CC4)n2c1 ZINC000623824663 349890630 /nfs/dbraw/zinc/89/06/30/349890630.db2.gz MGIDGCNIHRYNHE-CQSZACIVSA-N 2 2 269.392 3.313 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)n1 ZINC000623853926 349897200 /nfs/dbraw/zinc/89/72/00/349897200.db2.gz LXELTZMQKNBYBE-CQSZACIVSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863924 349899663 /nfs/dbraw/zinc/89/96/63/349899663.db2.gz BVJYDMRLXGQZQK-GUTXKFCHSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000623863924 349899667 /nfs/dbraw/zinc/89/96/67/349899667.db2.gz BVJYDMRLXGQZQK-GUTXKFCHSA-N 2 2 295.496 3.470 20 0 CGADLP CCc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000351568165 219128664 /nfs/dbraw/zinc/12/86/64/219128664.db2.gz MDXRQSFRSUQMQX-UHFFFAOYSA-N 2 2 282.347 3.094 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CCCCO1 ZINC000623874293 349901688 /nfs/dbraw/zinc/90/16/88/349901688.db2.gz FHTGAEKURACBMU-BBRMVZONSA-N 2 2 287.407 3.043 20 0 CGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000623878251 349903577 /nfs/dbraw/zinc/90/35/77/349903577.db2.gz CUKBKHVUZSDCJN-CQSZACIVSA-N 2 2 291.464 3.127 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2scnc21)C(C)(C)C ZINC000623894990 349908112 /nfs/dbraw/zinc/90/81/12/349908112.db2.gz HLHLTTLWIYEOCP-GXTWGEPZSA-N 2 2 295.496 3.477 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000423227820 529978809 /nfs/dbraw/zinc/97/88/09/529978809.db2.gz XCVGGEJCZPFOIJ-CQSZACIVSA-N 2 2 254.377 3.224 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000040621156 344964193 /nfs/dbraw/zinc/96/41/93/344964193.db2.gz VMUPXZOKMNFJEQ-IJEWVQPXSA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000040621156 344964197 /nfs/dbraw/zinc/96/41/97/344964197.db2.gz VMUPXZOKMNFJEQ-IJEWVQPXSA-N 2 2 276.424 3.223 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040673172 344965179 /nfs/dbraw/zinc/96/51/79/344965179.db2.gz JPFSLXLKYGDCJS-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000040673172 344965181 /nfs/dbraw/zinc/96/51/81/344965181.db2.gz JPFSLXLKYGDCJS-CYBMUJFWSA-N 2 2 273.207 3.177 20 0 CGADLP C[NH+](C)CC1(C[NH2+][C@H]2CCCc3scnc32)CCCC1 ZINC000623960441 349928793 /nfs/dbraw/zinc/92/87/93/349928793.db2.gz XIKHTLPQXRQYRV-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP COc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000076871564 345553061 /nfs/dbraw/zinc/55/30/61/345553061.db2.gz UXYDQULRNAHZPV-UHFFFAOYSA-N 2 2 297.402 3.167 20 0 CGADLP CC(C)C[C@@H](CNc1cc[nH+]c2ccncc12)[NH+](C)C ZINC000085655204 345746758 /nfs/dbraw/zinc/74/67/58/345746758.db2.gz MKJGQYLMZCXCDB-ZDUSSCGKSA-N 2 2 272.396 3.018 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000091375380 345812789 /nfs/dbraw/zinc/81/27/89/345812789.db2.gz ZKQPKFILMOYUQO-SJLPKXTDSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cccn2cc(CNc3[nH+]c4ccccc4n3C)[nH+]c12 ZINC000091628209 345819560 /nfs/dbraw/zinc/81/95/60/345819560.db2.gz KKLNFHAMAYRAAV-UHFFFAOYSA-N 2 2 291.358 3.142 20 0 CGADLP CC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000089555369 345770938 /nfs/dbraw/zinc/77/09/38/345770938.db2.gz MMSHAALTAVDNEM-UHFFFAOYSA-N 2 2 287.451 3.216 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090846600 345795592 /nfs/dbraw/zinc/79/55/92/345795592.db2.gz UBFMINNRNQJTLL-AWEZNQCLSA-N 2 2 270.376 3.292 20 0 CGADLP c1[nH]c(C[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000091963526 345826737 /nfs/dbraw/zinc/82/67/37/345826737.db2.gz XWEDGMVZRWUMFF-WBVHZDCISA-N 2 2 267.376 3.311 20 0 CGADLP c1[nH]c(C[N@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c[nH+]1 ZINC000091963526 345826739 /nfs/dbraw/zinc/82/67/39/345826739.db2.gz XWEDGMVZRWUMFF-WBVHZDCISA-N 2 2 267.376 3.311 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000093209983 345872762 /nfs/dbraw/zinc/87/27/62/345872762.db2.gz UCJYPOVQKLNYKR-DLBZAZTESA-N 3 2 293.499 3.035 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC000235375416 346335015 /nfs/dbraw/zinc/33/50/15/346335015.db2.gz KNJKOCOFHBRRSW-HOCLYGCPSA-N 2 2 261.413 3.245 20 0 CGADLP c1ccc(SCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250539736 346385905 /nfs/dbraw/zinc/38/59/05/346385905.db2.gz QWLBVIKFKJYXDJ-SJORKVTESA-N 2 2 290.476 3.385 20 0 CGADLP c1ccc(SCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250539736 346385911 /nfs/dbraw/zinc/38/59/11/346385911.db2.gz QWLBVIKFKJYXDJ-SJORKVTESA-N 2 2 290.476 3.385 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252452079 346391021 /nfs/dbraw/zinc/39/10/21/346391021.db2.gz NIDVAOXPMKAWNG-CVRCPQJVSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252452079 346391023 /nfs/dbraw/zinc/39/10/23/346391023.db2.gz NIDVAOXPMKAWNG-CVRCPQJVSA-N 2 2 270.420 3.306 20 0 CGADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000323969387 346490568 /nfs/dbraw/zinc/49/05/68/346490568.db2.gz ICLSBTKZMIHGPX-KRWDZBQOSA-N 2 2 273.424 3.075 20 0 CGADLP CC(C)C(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000584581412 346685104 /nfs/dbraw/zinc/68/51/04/346685104.db2.gz RXFPMMQLDUJLBH-CQSZACIVSA-N 2 2 251.418 3.037 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000594748434 347215617 /nfs/dbraw/zinc/21/56/17/347215617.db2.gz SHSSJWGWCDXBFL-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000594748434 347215620 /nfs/dbraw/zinc/21/56/20/347215620.db2.gz SHSSJWGWCDXBFL-BBWFWOEESA-N 2 2 282.472 3.044 20 0 CGADLP CCOC1CC(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000351881033 219237219 /nfs/dbraw/zinc/23/72/19/219237219.db2.gz YBSNYZHIVGUERT-VHVZWYKPSA-N 2 2 294.483 3.139 20 0 CGADLP CCOC1CC(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000351881033 219237221 /nfs/dbraw/zinc/23/72/21/219237221.db2.gz YBSNYZHIVGUERT-VHVZWYKPSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccncc1Cl ZINC000624123073 349981850 /nfs/dbraw/zinc/98/18/50/349981850.db2.gz FLPFBQXXXXCAEO-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123073 349981852 /nfs/dbraw/zinc/98/18/52/349981852.db2.gz FLPFBQXXXXCAEO-OLZOCXBDSA-N 2 2 281.831 3.118 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(Cl)o1)C(C)(C)C ZINC000604771048 348132605 /nfs/dbraw/zinc/13/26/05/348132605.db2.gz STZOZMMPHWJZMS-GFCCVEGCSA-N 2 2 272.820 3.389 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(F)c1F)CCC2 ZINC000607956947 348275775 /nfs/dbraw/zinc/27/57/75/348275775.db2.gz WBXDJSWCYYCUPD-ZDUSSCGKSA-N 2 2 291.345 3.137 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000608067542 348281957 /nfs/dbraw/zinc/28/19/57/348281957.db2.gz MDDSFYIWFOOIQD-CYBMUJFWSA-N 2 2 289.448 3.483 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000608582508 348318616 /nfs/dbraw/zinc/31/86/16/348318616.db2.gz LOQZHQBKWCIPOB-HNNXBMFYSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000608582508 348318621 /nfs/dbraw/zinc/31/86/21/348318621.db2.gz LOQZHQBKWCIPOB-HNNXBMFYSA-N 2 2 268.404 3.271 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611034426 348419248 /nfs/dbraw/zinc/41/92/48/348419248.db2.gz VUYCBIZMOKYHGK-HNNXBMFYSA-N 2 2 272.502 3.228 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611034426 348419253 /nfs/dbraw/zinc/41/92/53/348419253.db2.gz VUYCBIZMOKYHGK-HNNXBMFYSA-N 2 2 272.502 3.228 20 0 CGADLP CCOC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCCC1 ZINC000339478842 215199111 /nfs/dbraw/zinc/19/91/11/215199111.db2.gz SQCXHDIVPQYWBY-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP CC(C)C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000339502180 215213239 /nfs/dbraw/zinc/21/32/39/215213239.db2.gz NTKBCASULKJJCD-UHFFFAOYSA-N 2 2 261.394 3.212 20 0 CGADLP c1cn(-c2csc(CNc3cc4c(c[nH+]3)CCC4)c2)c[nH+]1 ZINC000339556774 215243154 /nfs/dbraw/zinc/24/31/54/215243154.db2.gz VMCNKBNRDTUACG-UHFFFAOYSA-N 2 2 296.399 3.430 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587148 215259713 /nfs/dbraw/zinc/25/97/13/215259713.db2.gz HRTZAUPNLKQPRI-PIISCBOPSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000339587148 215259717 /nfs/dbraw/zinc/25/97/17/215259717.db2.gz HRTZAUPNLKQPRI-PIISCBOPSA-N 2 2 278.827 3.126 20 0 CGADLP c1cn(CCCC[NH2+]CCSCc2ccccc2)c[nH+]1 ZINC000619534920 349257813 /nfs/dbraw/zinc/25/78/13/349257813.db2.gz AHJGZOBDIGNIMA-UHFFFAOYSA-N 2 2 289.448 3.186 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271242512 191022884 /nfs/dbraw/zinc/02/28/84/191022884.db2.gz GEFZSRHETFDRKQ-CHWSQXEVSA-N 2 2 291.420 3.036 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213625 350141410 /nfs/dbraw/zinc/14/14/10/350141410.db2.gz MRKPPAHQVXMDNY-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625213625 350141414 /nfs/dbraw/zinc/14/14/14/350141414.db2.gz MRKPPAHQVXMDNY-OCCSQVGLSA-N 2 2 296.842 3.350 20 0 CGADLP Cc1ncccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359878292 233386689 /nfs/dbraw/zinc/38/66/89/233386689.db2.gz QPQHMLCIPYMJIC-QGZVFWFLSA-N 2 2 298.434 3.375 20 0 CGADLP Cc1ncccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359878292 233386692 /nfs/dbraw/zinc/38/66/92/233386692.db2.gz QPQHMLCIPYMJIC-QGZVFWFLSA-N 2 2 298.434 3.375 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000628190934 350433126 /nfs/dbraw/zinc/43/31/26/350433126.db2.gz VCDKRMNXQKQLTK-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1n1cc[nH+]c1 ZINC000628190934 350433130 /nfs/dbraw/zinc/43/31/30/350433130.db2.gz VCDKRMNXQKQLTK-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H](C[NH2+]C[C@]1(C)CCCS1)[N@@H+]1CCCC[C@H]1C ZINC000628202430 350437913 /nfs/dbraw/zinc/43/79/13/350437913.db2.gz UCBXYQQWHASADP-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP C[C@H](C[NH2+]C[C@]1(C)CCCS1)[N@H+]1CCCC[C@H]1C ZINC000628202430 350437917 /nfs/dbraw/zinc/43/79/17/350437917.db2.gz UCBXYQQWHASADP-KFWWJZLASA-N 2 2 270.486 3.125 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000628162670 350417989 /nfs/dbraw/zinc/41/79/89/350417989.db2.gz ZECSAAYXPVWMLY-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000628162670 350417992 /nfs/dbraw/zinc/41/79/92/350417992.db2.gz ZECSAAYXPVWMLY-INIZCTEOSA-N 2 2 280.375 3.202 20 0 CGADLP C[C@]1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCCS1 ZINC000628419568 350532269 /nfs/dbraw/zinc/53/22/69/350532269.db2.gz VZUALSKAWRFCEF-HZPDHXFCSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@]1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCCS1 ZINC000628419568 350532271 /nfs/dbraw/zinc/53/22/71/350532271.db2.gz VZUALSKAWRFCEF-HZPDHXFCSA-N 2 2 282.497 3.269 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628423031 350534509 /nfs/dbraw/zinc/53/45/09/350534509.db2.gz ZBRPFEIRJREMQC-BDVYOWHSSA-N 2 2 288.435 3.102 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000628423031 350534514 /nfs/dbraw/zinc/53/45/14/350534514.db2.gz ZBRPFEIRJREMQC-BDVYOWHSSA-N 2 2 288.435 3.102 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534130 350704647 /nfs/dbraw/zinc/70/46/47/350704647.db2.gz NDVVVBDGIMMKHH-LRDDRELGSA-N 2 2 294.826 3.010 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534130 350704651 /nfs/dbraw/zinc/70/46/51/350704651.db2.gz NDVVVBDGIMMKHH-LRDDRELGSA-N 2 2 294.826 3.010 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C[NH2+]1 ZINC000629535132 350704934 /nfs/dbraw/zinc/70/49/34/350704934.db2.gz CCRGSMOSVGZANX-LOUJCGABSA-N 2 2 258.409 3.355 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)ccc2c1 ZINC000629544528 350709284 /nfs/dbraw/zinc/70/92/84/350709284.db2.gz AFJYKBAVJWVDAX-FHSNZYRGSA-N 2 2 284.403 3.249 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2ccccc2c1 ZINC000629544848 350709511 /nfs/dbraw/zinc/70/95/11/350709511.db2.gz DPVUJGCIUMFIPV-IIYDPXPESA-N 2 2 254.377 3.241 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629544874 350709689 /nfs/dbraw/zinc/70/96/89/350709689.db2.gz FQSLHQFMKPXJFP-LEWSCRJBSA-N 2 2 252.789 3.131 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000629519009 350700535 /nfs/dbraw/zinc/70/05/35/350700535.db2.gz AEEMPAXNGHXMKK-IUODEOHRSA-N 2 2 276.449 3.344 20 0 CGADLP C[NH2+]Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629709546 350748886 /nfs/dbraw/zinc/74/88/86/350748886.db2.gz GNHJVAAIYPFXJI-UHFFFAOYSA-N 2 2 267.376 3.068 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)o2)C[NH2+]1 ZINC000629659551 350732146 /nfs/dbraw/zinc/73/21/46/350732146.db2.gz BUOMYYPYGYFERT-HIFRSBDPSA-N 2 2 270.376 3.177 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1C(F)(F)F ZINC000629659469 350732222 /nfs/dbraw/zinc/73/22/22/350732222.db2.gz AKIZISPEONKVBI-DGCLKSJQSA-N 2 2 286.341 3.244 20 0 CGADLP Cn1cc[nH+]c1-c1ccc([C@@H]([NH3+])CC(F)(F)F)cc1 ZINC000630053399 350802573 /nfs/dbraw/zinc/80/25/73/350802573.db2.gz UQNNMQGFEQZXPU-NSHDSACASA-N 2 2 269.270 3.039 20 0 CGADLP Clc1c2ccccc2oc1C[NH2+]CCCn1cc[nH+]c1 ZINC000631029788 350929805 /nfs/dbraw/zinc/92/98/05/350929805.db2.gz FMYIHXAGJQRDGF-UHFFFAOYSA-N 2 2 289.766 3.463 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000631030615 350930348 /nfs/dbraw/zinc/93/03/48/350930348.db2.gz SMJTVTPKKWVFFO-UHFFFAOYSA-N 2 2 297.324 3.168 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000631034371 350931909 /nfs/dbraw/zinc/93/19/09/350931909.db2.gz KJRGGWZLYCESHH-PLNGDYQASA-N 2 2 269.392 3.111 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC(C)(C)[NH+](C)C ZINC000631561302 351067081 /nfs/dbraw/zinc/06/70/81/351067081.db2.gz MHYVGAHRQGVSTF-AWEZNQCLSA-N 2 2 287.451 3.419 20 0 CGADLP CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1F ZINC000634995331 351619440 /nfs/dbraw/zinc/61/94/40/351619440.db2.gz AXNGYLOPKLHUJT-AJQRCPHMSA-N 2 2 280.362 3.148 20 0 CGADLP C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000635004186 351622721 /nfs/dbraw/zinc/62/27/21/351622721.db2.gz NJCJCJQDQCASIA-MWLCHTKSSA-N 2 2 292.370 3.387 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cs1 ZINC000635006933 351625415 /nfs/dbraw/zinc/62/54/15/351625415.db2.gz NCYYUYZHNXXKLA-WFASDCNBSA-N 2 2 289.448 3.062 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)CC1 ZINC000365404523 234101377 /nfs/dbraw/zinc/10/13/77/234101377.db2.gz QJVRZVZGRNUZRN-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)CC1 ZINC000365404523 234101378 /nfs/dbraw/zinc/10/13/78/234101378.db2.gz QJVRZVZGRNUZRN-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435617 234215459 /nfs/dbraw/zinc/21/54/59/234215459.db2.gz CHEFVPTURYWNPM-ZDUSSCGKSA-N 2 2 287.382 3.079 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(Cl)c1 ZINC000336452627 213319236 /nfs/dbraw/zinc/31/92/36/213319236.db2.gz JEYPNUQDCSARFH-WPRPVWTQSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1csc(Cl)c1 ZINC000336452627 213319238 /nfs/dbraw/zinc/31/92/38/213319238.db2.gz JEYPNUQDCSARFH-WPRPVWTQSA-N 2 2 281.812 3.333 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154625873 188154369 /nfs/dbraw/zinc/15/43/69/188154369.db2.gz VJXNARQQQOVKMW-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154625873 188154370 /nfs/dbraw/zinc/15/43/70/188154370.db2.gz VJXNARQQQOVKMW-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000155648130 188219431 /nfs/dbraw/zinc/21/94/31/188219431.db2.gz PSSGNZRPTBDLTA-MRXNPFEDSA-N 2 2 273.380 3.023 20 0 CGADLP CC(C)(C)OC1CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000156336792 188255949 /nfs/dbraw/zinc/25/59/49/188255949.db2.gz YJMMRDAZYHCBIB-UHFFFAOYSA-N 2 2 299.418 3.308 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156416115 188261019 /nfs/dbraw/zinc/26/10/19/188261019.db2.gz OYPNMZYQFRLYOJ-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156416115 188261021 /nfs/dbraw/zinc/26/10/21/188261021.db2.gz OYPNMZYQFRLYOJ-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000158532359 188380515 /nfs/dbraw/zinc/38/05/15/188380515.db2.gz NOCVVFDRPIJJER-BXWFABGCSA-N 2 2 295.430 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000158532359 188380517 /nfs/dbraw/zinc/38/05/17/188380517.db2.gz NOCVVFDRPIJJER-BXWFABGCSA-N 2 2 295.430 3.253 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)C2CCCC2)o1 ZINC000414120824 235341267 /nfs/dbraw/zinc/34/12/67/235341267.db2.gz DUPBZJRUHYMWAU-KRWDZBQOSA-N 2 2 287.407 3.385 20 0 CGADLP Cc1[nH+]c2ccccc2c(NCCn2cc[nH+]c2)c1C ZINC000273525201 192187955 /nfs/dbraw/zinc/18/79/55/192187955.db2.gz XOXYJHMHDXSWKE-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC[NH2+]1 ZINC000414948200 235499860 /nfs/dbraw/zinc/49/98/60/235499860.db2.gz LTJHLJIAHOZXGT-SUMWQHHRSA-N 2 2 299.393 3.118 20 0 CGADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313248603 535326986 /nfs/dbraw/zinc/32/69/86/535326986.db2.gz BZCBZQUQDCEXCK-HUUCEWRRSA-N 2 2 263.429 3.157 20 0 CGADLP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000093488027 138346805 /nfs/dbraw/zinc/34/68/05/138346805.db2.gz PARKAXQNNQDMOA-OKZBNKHCSA-N 3 2 295.515 3.006 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000336278806 213116114 /nfs/dbraw/zinc/11/61/14/213116114.db2.gz COCGHLTWAJTXGE-DLBZAZTESA-N 2 2 288.410 3.242 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1C[C@H]1c1cccc(F)c1)CC2 ZINC000336278806 213116118 /nfs/dbraw/zinc/11/61/18/213116118.db2.gz COCGHLTWAJTXGE-DLBZAZTESA-N 2 2 288.410 3.242 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423233298 236004172 /nfs/dbraw/zinc/00/41/72/236004172.db2.gz DKMKJSMYLPXTJT-SMDDNHRTSA-N 2 2 275.783 3.086 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423232193 236004798 /nfs/dbraw/zinc/00/47/98/236004798.db2.gz HTHUDSCQDQPVTQ-KBXCAEBGSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC(F)(F)CC1 ZINC000423246113 236008293 /nfs/dbraw/zinc/00/82/93/236008293.db2.gz PGFYHXDBBIWOCF-SWLSCSKDSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC000423251101 236009200 /nfs/dbraw/zinc/00/92/00/236009200.db2.gz WBABFQNOJFQUHQ-MSOLQXFVSA-N 2 2 266.388 3.272 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286113 236023883 /nfs/dbraw/zinc/02/38/83/236023883.db2.gz ZQAXYNWYYLMNBB-ZANVPECISA-N 2 2 278.783 3.474 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])c2ccccc2)cc1 ZINC000423287568 236024360 /nfs/dbraw/zinc/02/43/60/236024360.db2.gz MZUNOISYZUWYDI-KRWDZBQOSA-N 2 2 268.404 3.411 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc2cc1C ZINC000423312106 236034084 /nfs/dbraw/zinc/03/40/84/236034084.db2.gz CSULTYDATTZVGQ-WFASDCNBSA-N 2 2 272.392 3.438 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000423315855 236035590 /nfs/dbraw/zinc/03/55/90/236035590.db2.gz BCKIBLQJGORXQE-QGZVFWFLSA-N 2 2 284.378 3.386 20 0 CGADLP COC[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000423390285 236061355 /nfs/dbraw/zinc/06/13/55/236061355.db2.gz JZYRAQQZNILUQZ-ZWKOTPCHSA-N 2 2 286.419 3.100 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)s1 ZINC000423360390 236048995 /nfs/dbraw/zinc/04/89/95/236048995.db2.gz LJAVTEQJIJSHDU-NURSFMCSSA-N 2 2 252.427 3.014 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423505078 236087950 /nfs/dbraw/zinc/08/79/50/236087950.db2.gz HEGNBUKYEFIGMT-FHLIZLRMSA-N 2 2 296.414 3.101 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423544426 236096087 /nfs/dbraw/zinc/09/60/87/236096087.db2.gz DABUQMINEFIIFZ-STQMWFEESA-N 2 2 298.377 3.389 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423545896 236097639 /nfs/dbraw/zinc/09/76/39/236097639.db2.gz FBCUGPCAWFBSRL-SUMWQHHRSA-N 2 2 258.409 3.357 20 0 CGADLP CC(C)=CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189899265 535371101 /nfs/dbraw/zinc/37/11/01/535371101.db2.gz SBDZHDCEELXXBE-CQSZACIVSA-N 2 2 255.365 3.489 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000425320253 236229249 /nfs/dbraw/zinc/22/92/49/236229249.db2.gz CLUBLSSCHLWXHI-LBPRGKRZSA-N 2 2 291.345 3.376 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000425320253 236229250 /nfs/dbraw/zinc/22/92/50/236229250.db2.gz CLUBLSSCHLWXHI-LBPRGKRZSA-N 2 2 291.345 3.376 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000427868856 236351179 /nfs/dbraw/zinc/35/11/79/236351179.db2.gz BGBQQGGGSQQVNE-GXTWGEPZSA-N 2 2 285.416 3.025 20 0 CGADLP Cc1cnc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000294649131 199122772 /nfs/dbraw/zinc/12/27/72/199122772.db2.gz BSPQIQIDRVRKHF-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1cnc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000294649131 199122773 /nfs/dbraw/zinc/12/27/73/199122773.db2.gz BSPQIQIDRVRKHF-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692669 199137207 /nfs/dbraw/zinc/13/72/07/199137207.db2.gz ASRWGRGXAMEKGV-NEPJUHHUSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000294692669 199137209 /nfs/dbraw/zinc/13/72/09/199137209.db2.gz ASRWGRGXAMEKGV-NEPJUHHUSA-N 2 2 297.324 3.497 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000428242747 236383765 /nfs/dbraw/zinc/38/37/65/236383765.db2.gz WMSSHLQKMRDLCI-HNNXBMFYSA-N 2 2 291.439 3.024 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000428242747 236383769 /nfs/dbraw/zinc/38/37/69/236383769.db2.gz WMSSHLQKMRDLCI-HNNXBMFYSA-N 2 2 291.439 3.024 20 0 CGADLP C[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1[nH]cc[nH+]1 ZINC000375854016 299281997 /nfs/dbraw/zinc/28/19/97/299281997.db2.gz RNIRZQXVTSCHIL-HNNXBMFYSA-N 2 2 290.455 3.249 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436298151 237073908 /nfs/dbraw/zinc/07/39/08/237073908.db2.gz YTHYTCSSHHERGO-HYJFEMIMSA-N 2 2 298.474 3.470 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436298151 237073910 /nfs/dbraw/zinc/07/39/10/237073910.db2.gz YTHYTCSSHHERGO-HYJFEMIMSA-N 2 2 298.474 3.470 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000436236220 237053040 /nfs/dbraw/zinc/05/30/40/237053040.db2.gz DZDFHFNMKAHYDO-NXHRZFHOSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000436236220 237053046 /nfs/dbraw/zinc/05/30/46/237053046.db2.gz DZDFHFNMKAHYDO-NXHRZFHOSA-N 2 2 286.463 3.470 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@@H+]1C1CC1 ZINC000436286507 237069830 /nfs/dbraw/zinc/06/98/30/237069830.db2.gz RFGGUQZSTRBUNJ-AAEUAGOBSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@H+]1C1CC1 ZINC000436286507 237069834 /nfs/dbraw/zinc/06/98/34/237069834.db2.gz RFGGUQZSTRBUNJ-AAEUAGOBSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341546622 216008001 /nfs/dbraw/zinc/00/80/01/216008001.db2.gz QVWBFRDZZXANDY-PNESKVBLSA-N 2 2 289.345 3.230 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000437071828 237242624 /nfs/dbraw/zinc/24/26/24/237242624.db2.gz AUFVCHPSHDISQT-MSOLQXFVSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1F ZINC000296980136 200052517 /nfs/dbraw/zinc/05/25/17/200052517.db2.gz VELPMZPZMULXJQ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1F ZINC000296980136 200052518 /nfs/dbraw/zinc/05/25/18/200052518.db2.gz VELPMZPZMULXJQ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CC(COc2ccccc2)C1 ZINC000297290724 200136656 /nfs/dbraw/zinc/13/66/56/200136656.db2.gz AWRAXXVTVFYATM-UHFFFAOYSA-N 2 2 296.414 3.333 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC[N@@H+]1C ZINC000437779494 237347241 /nfs/dbraw/zinc/34/72/41/237347241.db2.gz VDKMWCIFWPNGNI-NXWXRZEISA-N 2 2 286.463 3.470 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC[N@H+]1C ZINC000437779494 237347246 /nfs/dbraw/zinc/34/72/46/237347246.db2.gz VDKMWCIFWPNGNI-NXWXRZEISA-N 2 2 286.463 3.470 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297871324 200296628 /nfs/dbraw/zinc/29/66/28/200296628.db2.gz PTPBGRRBYGYEGG-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297871324 200296630 /nfs/dbraw/zinc/29/66/30/200296630.db2.gz PTPBGRRBYGYEGG-CXAGYDPISA-N 2 2 287.382 3.185 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000297913671 200303153 /nfs/dbraw/zinc/30/31/53/200303153.db2.gz SMPSLBHMPTZONK-UHFFFAOYSA-N 2 2 297.324 3.113 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000297913671 200303154 /nfs/dbraw/zinc/30/31/54/200303154.db2.gz SMPSLBHMPTZONK-UHFFFAOYSA-N 2 2 297.324 3.113 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839035 200290010 /nfs/dbraw/zinc/29/00/10/200290010.db2.gz NWDRZRCPRAGLLZ-DYVFJYSZSA-N 2 2 299.418 3.344 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCc2c[nH+]cn2C)C2CC2)o1 ZINC000297839035 200290011 /nfs/dbraw/zinc/29/00/11/200290011.db2.gz NWDRZRCPRAGLLZ-DYVFJYSZSA-N 2 2 299.418 3.344 20 0 CGADLP C[C@H](C1CC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000298122344 200339010 /nfs/dbraw/zinc/33/90/10/200339010.db2.gz COYGAQALKLORLW-CYBMUJFWSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@H](C1CC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000298122344 200339011 /nfs/dbraw/zinc/33/90/11/200339011.db2.gz COYGAQALKLORLW-CYBMUJFWSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000178115428 189091674 /nfs/dbraw/zinc/09/16/74/189091674.db2.gz QSCUUBYCZVTGIE-ZDUSSCGKSA-N 2 2 289.448 3.412 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CCC1 ZINC000178586470 189128616 /nfs/dbraw/zinc/12/86/16/189128616.db2.gz QJMBOKUHNIYGBA-CYBMUJFWSA-N 2 2 255.365 3.151 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837698 240367598 /nfs/dbraw/zinc/36/75/98/240367598.db2.gz BJVKORKLHQVAPQ-ZBFHGGJFSA-N 2 2 274.408 3.291 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837698 240367601 /nfs/dbraw/zinc/36/76/01/240367601.db2.gz BJVKORKLHQVAPQ-ZBFHGGJFSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837698 240367604 /nfs/dbraw/zinc/36/76/04/240367604.db2.gz BJVKORKLHQVAPQ-ZBFHGGJFSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837698 240367605 /nfs/dbraw/zinc/36/76/05/240367605.db2.gz BJVKORKLHQVAPQ-ZBFHGGJFSA-N 2 2 274.408 3.291 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000179667585 189211797 /nfs/dbraw/zinc/21/17/97/189211797.db2.gz PANFSDUKFMPHAH-MRXNPFEDSA-N 2 2 287.407 3.413 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000179667572 189211885 /nfs/dbraw/zinc/21/18/85/189211885.db2.gz PANFSDUKFMPHAH-INIZCTEOSA-N 2 2 287.407 3.413 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccc(F)cc21 ZINC000181082340 189287676 /nfs/dbraw/zinc/28/76/76/189287676.db2.gz FXQCFTDLZVVSSM-KRWDZBQOSA-N 2 2 287.382 3.422 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccc(F)cc21 ZINC000181082340 189287677 /nfs/dbraw/zinc/28/76/77/189287677.db2.gz FXQCFTDLZVVSSM-KRWDZBQOSA-N 2 2 287.382 3.422 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092009 189288166 /nfs/dbraw/zinc/28/81/66/189288166.db2.gz YSWGIPHFNJSWTL-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092009 189288167 /nfs/dbraw/zinc/28/81/67/189288167.db2.gz YSWGIPHFNJSWTL-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000181663598 189303873 /nfs/dbraw/zinc/30/38/73/189303873.db2.gz KZOYEGUBGGMABS-OAHLLOKOSA-N 2 2 279.334 3.292 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182770857 189334320 /nfs/dbraw/zinc/33/43/20/189334320.db2.gz JUUWRBLIGJATQD-LBPRGKRZSA-N 2 2 278.425 3.040 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182770857 189334321 /nfs/dbraw/zinc/33/43/21/189334321.db2.gz JUUWRBLIGJATQD-LBPRGKRZSA-N 2 2 278.425 3.040 20 0 CGADLP c1coc(C[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000183163496 189348472 /nfs/dbraw/zinc/34/84/72/189348472.db2.gz FPDZIRBQUDPCDC-UHFFFAOYSA-N 2 2 273.380 3.311 20 0 CGADLP c1coc(C[N@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000183163496 189348473 /nfs/dbraw/zinc/34/84/73/189348473.db2.gz FPDZIRBQUDPCDC-UHFFFAOYSA-N 2 2 273.380 3.311 20 0 CGADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000183163466 189348492 /nfs/dbraw/zinc/34/84/92/189348492.db2.gz VXRPMSWOLIIADF-UHFFFAOYSA-N 2 2 291.345 3.216 20 0 CGADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000183163466 189348493 /nfs/dbraw/zinc/34/84/93/189348493.db2.gz VXRPMSWOLIIADF-UHFFFAOYSA-N 2 2 291.345 3.216 20 0 CGADLP CC(C)c1cc(N(C)[C@@H]2CCC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000301816259 201215201 /nfs/dbraw/zinc/21/52/01/201215201.db2.gz JFSAGHKGZOKXFK-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000301816259 201215203 /nfs/dbraw/zinc/21/52/03/201215203.db2.gz JFSAGHKGZOKXFK-CQSZACIVSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(NCC(C)(C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301860250 201235336 /nfs/dbraw/zinc/23/53/36/201235336.db2.gz DIIOZDDLPLYZOH-UHFFFAOYSA-N 2 2 278.444 3.476 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCC[C@H](C)C1 ZINC000301900025 201253638 /nfs/dbraw/zinc/25/36/38/201253638.db2.gz YRGHXOIUDOSAPV-QWHCGFSZSA-N 2 2 272.396 3.095 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCC[C@H](C)C1 ZINC000301900025 201253642 /nfs/dbraw/zinc/25/36/42/201253642.db2.gz YRGHXOIUDOSAPV-QWHCGFSZSA-N 2 2 272.396 3.095 20 0 CGADLP CSCC1CCC([NH2+]CC[N@H+]2CC=C(C)CC2)CC1 ZINC000449241288 239262447 /nfs/dbraw/zinc/26/24/47/239262447.db2.gz AJIBCMDKASJYPF-UHFFFAOYSA-N 2 2 282.497 3.150 20 0 CGADLP CSCC1CCC([NH2+]CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000449241288 239262453 /nfs/dbraw/zinc/26/24/53/239262453.db2.gz AJIBCMDKASJYPF-UHFFFAOYSA-N 2 2 282.497 3.150 20 0 CGADLP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302184131 201387908 /nfs/dbraw/zinc/38/79/08/201387908.db2.gz SJPKGPYFKXHQQB-DYVFJYSZSA-N 2 2 296.418 3.026 20 0 CGADLP Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302184131 201387910 /nfs/dbraw/zinc/38/79/10/201387910.db2.gz SJPKGPYFKXHQQB-DYVFJYSZSA-N 2 2 296.418 3.026 20 0 CGADLP C[C@]1(F)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449352970 239341596 /nfs/dbraw/zinc/34/15/96/239341596.db2.gz XMKYPSBAWZLAHP-AWEZNQCLSA-N 2 2 279.384 3.258 20 0 CGADLP C[C@]1(F)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449352970 239341601 /nfs/dbraw/zinc/34/16/01/239341601.db2.gz XMKYPSBAWZLAHP-AWEZNQCLSA-N 2 2 279.384 3.258 20 0 CGADLP Cc1[nH]c2ccc(Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)cc2[nH+]1 ZINC000450994217 240187085 /nfs/dbraw/zinc/18/70/85/240187085.db2.gz BQCBTGKYBTVKNP-RYUDHWBXSA-N 2 2 294.402 3.487 20 0 CGADLP Cc1[nH+]c2ccccn2c1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000451002205 240189847 /nfs/dbraw/zinc/18/98/47/240189847.db2.gz SEGMMUCLFLNUAI-STQMWFEESA-N 2 2 294.402 3.258 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)s1 ZINC000120893988 370810032 /nfs/dbraw/zinc/81/00/32/370810032.db2.gz NEGNUVFXODAEPC-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000120916092 370813452 /nfs/dbraw/zinc/81/34/52/370813452.db2.gz KMKGQCCTUVVYEN-QGZVFWFLSA-N 2 2 285.391 3.119 20 0 CGADLP COC[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CCCC1 ZINC000275857071 193147775 /nfs/dbraw/zinc/14/77/75/193147775.db2.gz MDRKOJUMZSMTQT-INIZCTEOSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1csc(Cl)c1 ZINC000424380780 299370596 /nfs/dbraw/zinc/37/05/96/299370596.db2.gz XSOTUHFJKBDEBM-JMJZKYOTSA-N 2 2 258.818 3.322 20 0 CGADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000459346754 242083148 /nfs/dbraw/zinc/08/31/48/242083148.db2.gz UXLIUIQRCKWLGG-CRAIPNDOSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@H]1c1ccccc1 ZINC000459346754 242083151 /nfs/dbraw/zinc/08/31/51/242083151.db2.gz UXLIUIQRCKWLGG-CRAIPNDOSA-N 2 2 283.419 3.088 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000459349618 242084621 /nfs/dbraw/zinc/08/46/21/242084621.db2.gz NWCRLGYXGBVYGU-INIZCTEOSA-N 2 2 275.440 3.397 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000459349618 242084625 /nfs/dbraw/zinc/08/46/25/242084625.db2.gz NWCRLGYXGBVYGU-INIZCTEOSA-N 2 2 275.440 3.397 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(C)cs1 ZINC000459424162 242102702 /nfs/dbraw/zinc/10/27/02/242102702.db2.gz IPURGXXDWUQJJB-CQSZACIVSA-N 2 2 279.453 3.119 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000459429562 242105289 /nfs/dbraw/zinc/10/52/89/242105289.db2.gz XAVGQYJFVBLTGQ-SQNIBIBYSA-N 2 2 295.430 3.462 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H](C)C1CCCCC1 ZINC000459660360 242167296 /nfs/dbraw/zinc/16/72/96/242167296.db2.gz LFWQENPPNLKLEK-UONOGXRCSA-N 2 2 263.429 3.157 20 0 CGADLP C[C@@H]([C@H](C)[NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000459660358 242167741 /nfs/dbraw/zinc/16/77/41/242167741.db2.gz LFWQENPPNLKLEK-KBPBESRZSA-N 2 2 263.429 3.157 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459664140 242168894 /nfs/dbraw/zinc/16/88/94/242168894.db2.gz PNSXAMUJSVZLFI-QGZVFWFLSA-N 2 2 285.435 3.354 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000459677751 242177766 /nfs/dbraw/zinc/17/77/66/242177766.db2.gz QBOPQGCQKZSXLQ-CXAGYDPISA-N 2 2 291.439 3.116 20 0 CGADLP C[N@H+](Cc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121615274 370878745 /nfs/dbraw/zinc/87/87/45/370878745.db2.gz HVVQYASGAOFXRO-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[N@@H+](Cc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121615274 370878749 /nfs/dbraw/zinc/87/87/49/370878749.db2.gz HVVQYASGAOFXRO-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C[N@@H+]1C1CC1 ZINC000121701934 370887030 /nfs/dbraw/zinc/88/70/30/370887030.db2.gz BWIYSIXRSHTRAD-TZMCWYRMSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C[N@H+]1C1CC1 ZINC000121701934 370887034 /nfs/dbraw/zinc/88/70/34/370887034.db2.gz BWIYSIXRSHTRAD-TZMCWYRMSA-N 2 2 270.376 3.148 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000482713544 243241124 /nfs/dbraw/zinc/24/11/24/243241124.db2.gz NKLGFQTWHXIBKY-BQFCYCMXSA-N 2 2 274.452 3.164 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000482713544 243241127 /nfs/dbraw/zinc/24/11/27/243241127.db2.gz NKLGFQTWHXIBKY-BQFCYCMXSA-N 2 2 274.452 3.164 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000482539561 243231990 /nfs/dbraw/zinc/23/19/90/243231990.db2.gz WVUQLIQMIUZNII-YSHGAJCASA-N 2 2 286.463 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000482539561 243231996 /nfs/dbraw/zinc/23/19/96/243231996.db2.gz WVUQLIQMIUZNII-YSHGAJCASA-N 2 2 286.463 3.328 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC1(C)C ZINC000486932162 243379263 /nfs/dbraw/zinc/37/92/63/243379263.db2.gz GFFSNPZHTHHYBL-DZGCQCFKSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000020096486 296128366 /nfs/dbraw/zinc/12/83/66/296128366.db2.gz UBHTYDOOFJMINN-PBHICJAKSA-N 2 2 258.409 3.212 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000036914492 369038335 /nfs/dbraw/zinc/03/83/35/369038335.db2.gz DMZIJMBLUCRJPD-STQMWFEESA-N 2 2 281.469 3.367 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000036914492 369038340 /nfs/dbraw/zinc/03/83/40/369038340.db2.gz DMZIJMBLUCRJPD-STQMWFEESA-N 2 2 281.469 3.367 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000036996640 369048835 /nfs/dbraw/zinc/04/88/35/369048835.db2.gz CULWOIYAUWPDEH-RCCFBDPRSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000036996640 369048838 /nfs/dbraw/zinc/04/88/38/369048838.db2.gz CULWOIYAUWPDEH-RCCFBDPRSA-N 2 2 288.435 3.363 20 0 CGADLP Clc1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000035046310 368993165 /nfs/dbraw/zinc/99/31/65/368993165.db2.gz BBNPDROZDBQHOE-MRXNPFEDSA-N 2 2 278.827 3.477 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000037150388 369069058 /nfs/dbraw/zinc/06/90/58/369069058.db2.gz VZVGVWONFMHATP-ZDUSSCGKSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000037158163 369073307 /nfs/dbraw/zinc/07/33/07/369073307.db2.gz MDJTYMYXUNLGIW-NEPJUHHUSA-N 2 2 295.333 3.224 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000037158203 369074825 /nfs/dbraw/zinc/07/48/25/369074825.db2.gz JXPLSTHNOSPTJS-IYXRBSQSSA-N 2 2 289.810 3.461 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000041119126 369173908 /nfs/dbraw/zinc/17/39/08/369173908.db2.gz FUAYLYYUTRKKDM-CQSZACIVSA-N 2 2 263.772 3.277 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]CC(C)(C)COC)[NH+](C)C)cc1 ZINC000494357313 244282671 /nfs/dbraw/zinc/28/26/71/244282671.db2.gz IWNZSJVOXZOMJN-QGZVFWFLSA-N 2 2 292.467 3.114 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000494632970 244308037 /nfs/dbraw/zinc/30/80/37/244308037.db2.gz NDQUXQAMICFODR-XUWXXGDYSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000494632970 244308038 /nfs/dbraw/zinc/30/80/38/244308038.db2.gz NDQUXQAMICFODR-XUWXXGDYSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000494915448 244331304 /nfs/dbraw/zinc/33/13/04/244331304.db2.gz CRJJTZWWTHLUPM-WOSRLPQWSA-N 2 2 271.408 3.369 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1C ZINC000495108141 244357919 /nfs/dbraw/zinc/35/79/19/244357919.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1C ZINC000495108141 244357922 /nfs/dbraw/zinc/35/79/22/244357922.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C ZINC000495108141 244357924 /nfs/dbraw/zinc/35/79/24/244357924.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1C ZINC000495108141 244357928 /nfs/dbraw/zinc/35/79/28/244357928.db2.gz LFYFLARGOJOHNT-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1ccc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048329953 369341491 /nfs/dbraw/zinc/34/14/91/369341491.db2.gz OMMFVAWUVQORGY-UHFFFAOYSA-N 2 2 281.403 3.467 20 0 CGADLP COC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C(C)C ZINC000128120668 370959547 /nfs/dbraw/zinc/95/95/47/370959547.db2.gz KRBQTAKUGURZOU-ROUUACIJSA-N 2 2 290.451 3.084 20 0 CGADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129363616 370983227 /nfs/dbraw/zinc/98/32/27/370983227.db2.gz AVJJYNWUIXVDIH-OAHLLOKOSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129363616 370983233 /nfs/dbraw/zinc/98/32/33/370983233.db2.gz AVJJYNWUIXVDIH-OAHLLOKOSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000129230996 370979400 /nfs/dbraw/zinc/97/94/00/370979400.db2.gz OCRAKEBMFWOJHC-LBPRGKRZSA-N 2 2 277.799 3.271 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129526765 370992052 /nfs/dbraw/zinc/99/20/52/370992052.db2.gz UYSBXJLXHLOQHZ-NVXWUHKLSA-N 2 2 299.418 3.365 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129526765 370992056 /nfs/dbraw/zinc/99/20/56/370992056.db2.gz UYSBXJLXHLOQHZ-NVXWUHKLSA-N 2 2 299.418 3.365 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061326793 369598373 /nfs/dbraw/zinc/59/83/73/369598373.db2.gz KACOBVDHMPSIMY-SOUVJXGZSA-N 2 2 276.449 3.342 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061326793 369598376 /nfs/dbraw/zinc/59/83/76/369598376.db2.gz KACOBVDHMPSIMY-SOUVJXGZSA-N 2 2 276.449 3.342 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000062254413 369623327 /nfs/dbraw/zinc/62/33/27/369623327.db2.gz ZZHKWCRQFSUBTA-GFCCVEGCSA-N 2 2 297.324 3.328 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171843 369786923 /nfs/dbraw/zinc/78/69/23/369786923.db2.gz SIIRFVFVHLCHSF-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171843 369786927 /nfs/dbraw/zinc/78/69/27/369786927.db2.gz SIIRFVFVHLCHSF-CMPLNLGQSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@@H+]1C ZINC000336468216 213337243 /nfs/dbraw/zinc/33/72/43/213337243.db2.gz ZCEWIWYDIBJBKW-ZYHUDNBSSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@H+]1C ZINC000336468216 213337245 /nfs/dbraw/zinc/33/72/45/213337245.db2.gz ZCEWIWYDIBJBKW-ZYHUDNBSSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000422757689 296150973 /nfs/dbraw/zinc/15/09/73/296150973.db2.gz IUCJBJMWNOZWQF-BDAKNGLRSA-N 2 2 273.207 3.252 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCOCC1 ZINC000423393499 296153367 /nfs/dbraw/zinc/15/33/67/296153367.db2.gz MJEUKKIRRHZXSG-KUHUBIRLSA-N 2 2 298.430 3.244 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nccs1 ZINC000093396722 370121818 /nfs/dbraw/zinc/12/18/18/370121818.db2.gz KLCSPXPNZFOPPF-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563869 370142248 /nfs/dbraw/zinc/14/22/48/370142248.db2.gz LCTDGWKOLUAAHK-HNNXBMFYSA-N 2 2 276.424 3.292 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563869 370142250 /nfs/dbraw/zinc/14/22/50/370142250.db2.gz LCTDGWKOLUAAHK-HNNXBMFYSA-N 2 2 276.424 3.292 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000112342773 370421623 /nfs/dbraw/zinc/42/16/23/370421623.db2.gz XTXMMRZHGOGZNC-LLVKDONJSA-N 2 2 255.321 3.315 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755196 370511863 /nfs/dbraw/zinc/51/18/63/370511863.db2.gz QUARRSZTCDLTEE-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000114755196 370511870 /nfs/dbraw/zinc/51/18/70/370511870.db2.gz QUARRSZTCDLTEE-VQIMIIECSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1cccc(C)c1OCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000118944029 370629752 /nfs/dbraw/zinc/62/97/52/370629752.db2.gz WZURMTJIKODOIC-UHFFFAOYSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000130618196 371046888 /nfs/dbraw/zinc/04/68/88/371046888.db2.gz XVMSXRPYFDQMJE-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000130618196 371046891 /nfs/dbraw/zinc/04/68/91/371046891.db2.gz XVMSXRPYFDQMJE-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000130618196 371046896 /nfs/dbraw/zinc/04/68/96/371046896.db2.gz XVMSXRPYFDQMJE-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130618196 371046899 /nfs/dbraw/zinc/04/68/99/371046899.db2.gz XVMSXRPYFDQMJE-SJLPKXTDSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000131563935 371116967 /nfs/dbraw/zinc/11/69/67/371116967.db2.gz KQIPRJWFUGQKQZ-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000131563935 371116972 /nfs/dbraw/zinc/11/69/72/371116972.db2.gz KQIPRJWFUGQKQZ-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132278843 371164361 /nfs/dbraw/zinc/16/43/61/371164361.db2.gz JHSQZPBBJNXFTK-QGZVFWFLSA-N 2 2 283.419 3.252 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000151112592 371569447 /nfs/dbraw/zinc/56/94/47/371569447.db2.gz IMQCXFHTUOMDTG-DYVFJYSZSA-N 2 2 287.382 3.326 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000020189503 541855703 /nfs/dbraw/zinc/85/57/03/541855703.db2.gz JNJSTBJLMIVANG-LLVKDONJSA-N 2 2 281.469 3.283 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nccn2-c2ccccc2)CC1 ZINC000287121515 371608512 /nfs/dbraw/zinc/60/85/12/371608512.db2.gz RCQYJVRLEUNNLW-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2c(F)cccc2SC)CC1 ZINC000287405646 371651218 /nfs/dbraw/zinc/65/12/18/371651218.db2.gz JJYMMTPRWBHHPH-UHFFFAOYSA-N 2 2 282.428 3.122 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000421838802 371661621 /nfs/dbraw/zinc/66/16/21/371661621.db2.gz VQAAZBMDPXNYDN-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000421838802 371661624 /nfs/dbraw/zinc/66/16/24/371661624.db2.gz VQAAZBMDPXNYDN-HOTGVXAUSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353317300 220023980 /nfs/dbraw/zinc/02/39/80/220023980.db2.gz VWZFNDZITPLDKM-VXGBXAGGSA-N 2 2 271.355 3.075 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345704 214020496 /nfs/dbraw/zinc/02/04/96/214020496.db2.gz VJKPNZNEAKTXCO-DOTOQJQBSA-N 2 2 275.440 3.038 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345704 214020500 /nfs/dbraw/zinc/02/05/00/214020500.db2.gz VJKPNZNEAKTXCO-DOTOQJQBSA-N 2 2 275.440 3.038 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1c[nH+]ccc1N ZINC000422754322 371787711 /nfs/dbraw/zinc/78/77/11/371787711.db2.gz GVOMWGDNMFXGSN-JTQLQIEISA-N 2 2 295.308 3.364 20 0 CGADLP CC(C)OC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000337339291 214016426 /nfs/dbraw/zinc/01/64/26/214016426.db2.gz OMDYVAMUSANLQP-GJZGRUSLSA-N 2 2 296.480 3.288 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422823502 371831215 /nfs/dbraw/zinc/83/12/15/371831215.db2.gz DKWVWXCRWRUCFA-ZDUSSCGKSA-N 2 2 285.391 3.132 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836751 371832476 /nfs/dbraw/zinc/83/24/76/371832476.db2.gz RYMPKWLNGGPHJA-XBFCOCLRSA-N 2 2 298.377 3.469 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422785942 371806786 /nfs/dbraw/zinc/80/67/86/371806786.db2.gz PUBLYCSLAXDGRV-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814818 371826376 /nfs/dbraw/zinc/82/63/76/371826376.db2.gz AGNLVZQJGMQULQ-SQWLQELKSA-N 2 2 294.414 3.103 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422813753 371826964 /nfs/dbraw/zinc/82/69/64/371826964.db2.gz ZSZLAADMYIYURC-WDMOLILDSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813752 371827477 /nfs/dbraw/zinc/82/74/77/371827477.db2.gz ZSZLAADMYIYURC-UHIISALHSA-N 2 2 284.350 3.079 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422883692 371853232 /nfs/dbraw/zinc/85/32/32/371853232.db2.gz VKAWUVHTNFUZBQ-JKSUJKDBSA-N 2 2 285.391 3.091 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154606427 371861086 /nfs/dbraw/zinc/86/10/86/371861086.db2.gz XYRPOAYQYDVLEJ-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000289954896 371861591 /nfs/dbraw/zinc/86/15/91/371861591.db2.gz BAHOCOUDQVKPFA-KRWDZBQOSA-N 2 2 288.435 3.404 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000154598227 371861840 /nfs/dbraw/zinc/86/18/40/371861840.db2.gz CRIQSVMZJGGJJR-GVDBMIGSSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000154598227 371861845 /nfs/dbraw/zinc/86/18/45/371861845.db2.gz CRIQSVMZJGGJJR-GVDBMIGSSA-N 2 2 276.399 3.146 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000289973899 371866360 /nfs/dbraw/zinc/86/63/60/371866360.db2.gz JGPYMVCOLHCBKO-UHFFFAOYSA-N 2 2 271.408 3.263 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000289973899 371866367 /nfs/dbraw/zinc/86/63/67/371866367.db2.gz JGPYMVCOLHCBKO-UHFFFAOYSA-N 2 2 271.408 3.263 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919627 371869597 /nfs/dbraw/zinc/86/95/97/371869597.db2.gz KMQNLWOJKICTBR-VNHYZAJKSA-N 2 2 296.842 3.228 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422944277 371882972 /nfs/dbraw/zinc/88/29/72/371882972.db2.gz LGJZKQQDPKOMQB-CABCVRRESA-N 2 2 298.377 3.298 20 0 CGADLP CSCc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422849288 371838136 /nfs/dbraw/zinc/83/81/36/371838136.db2.gz BURBMMNSTTXXAM-LRDDRELGSA-N 2 2 296.455 3.309 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422845651 371838799 /nfs/dbraw/zinc/83/87/99/371838799.db2.gz OMMHGGPLLGUMKW-KFWWJZLASA-N 2 2 294.439 3.483 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423063574 371941743 /nfs/dbraw/zinc/94/17/43/371941743.db2.gz PGAXWDQCSZLYIF-FPMFFAJLSA-N 2 2 286.341 3.063 20 0 CGADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000422984485 371901038 /nfs/dbraw/zinc/90/10/38/371901038.db2.gz XYUUETYSNWQEJA-WFASDCNBSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[NH2+]1 ZINC000423000213 371907640 /nfs/dbraw/zinc/90/76/40/371907640.db2.gz UTDXYMBIFWWVBF-MAUKXSAKSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009064 371915168 /nfs/dbraw/zinc/91/51/68/371915168.db2.gz BVEIACVPGPDJST-ZLIFDBKOSA-N 2 2 276.399 3.315 20 0 CGADLP COc1cc(F)cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423016859 371916416 /nfs/dbraw/zinc/91/64/16/371916416.db2.gz NLJNHUKLRGAZTK-SJORKVTESA-N 2 2 286.350 3.069 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033691 371926287 /nfs/dbraw/zinc/92/62/87/371926287.db2.gz ZQKARUMQJQMMEM-ABAIWWIYSA-N 2 2 296.817 3.098 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000290186668 371926315 /nfs/dbraw/zinc/92/63/15/371926315.db2.gz ZRGBCVWPJUQMQA-OAHLLOKOSA-N 2 2 273.380 3.173 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000290186668 371926320 /nfs/dbraw/zinc/92/63/20/371926320.db2.gz ZRGBCVWPJUQMQA-OAHLLOKOSA-N 2 2 273.380 3.173 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423110006 371973213 /nfs/dbraw/zinc/97/32/13/371973213.db2.gz OKDWQJDEJKYPOU-BBRMVZONSA-N 2 2 271.408 3.097 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000423139398 371987074 /nfs/dbraw/zinc/98/70/74/371987074.db2.gz ZSYRLJBOXRULQJ-HIFRSBDPSA-N 2 2 293.455 3.336 20 0 CGADLP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000423152316 371994574 /nfs/dbraw/zinc/99/45/74/371994574.db2.gz FNTDXUQDWUGQIO-BMGDILEWSA-N 2 2 298.434 3.047 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC=C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423070359 371946005 /nfs/dbraw/zinc/94/60/05/371946005.db2.gz NAIOIVXYFSCRID-ROUUACIJSA-N 2 2 288.435 3.434 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423072151 371947666 /nfs/dbraw/zinc/94/76/66/371947666.db2.gz GUZCQEUQLLASJC-YJBOKZPZSA-N 2 2 296.414 3.278 20 0 CGADLP c1ccc([C@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423188623 372015650 /nfs/dbraw/zinc/01/56/50/372015650.db2.gz LUSJHLFSHRECGR-IRXDYDNUSA-N 2 2 258.409 3.260 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc2cc1C ZINC000423189635 372017445 /nfs/dbraw/zinc/01/74/45/372017445.db2.gz MZZQHVMWDMFJFY-DZGCQCFKSA-N 2 2 272.392 3.452 20 0 CGADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000423195624 372018604 /nfs/dbraw/zinc/01/86/04/372018604.db2.gz ZSGPZEQMYJSWBB-UHFFFAOYSA-N 3 2 295.515 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423197248 372022171 /nfs/dbraw/zinc/02/21/71/372022171.db2.gz YPPXCCJPOASJDN-KGLIPLIRSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2cccs2)cc1 ZINC000423202101 372026648 /nfs/dbraw/zinc/02/66/48/372026648.db2.gz JZQBAPJLBVIAEK-IUODEOHRSA-N 2 2 272.417 3.428 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000423214786 372033665 /nfs/dbraw/zinc/03/36/65/372033665.db2.gz NCMYXJBERSASMG-DGCLKSJQSA-N 2 2 282.815 3.140 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423298890 372049796 /nfs/dbraw/zinc/04/97/96/372049796.db2.gz PCKNUUYQUFVWSZ-PWSUYJOCSA-N 2 2 286.341 3.198 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423335674 372053399 /nfs/dbraw/zinc/05/33/99/372053399.db2.gz UCUCFHYWNFEXKT-ABAIWWIYSA-N 2 2 260.381 3.457 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)c2sccc21 ZINC000423368602 372055676 /nfs/dbraw/zinc/05/56/76/372055676.db2.gz SBZYHNSTPHDCMX-XWUBHJNHSA-N 2 2 264.438 3.274 20 0 CGADLP COc1ccc(C)[nH+]c1NCCCc1c[nH+]ccc1C ZINC000290512528 372005182 /nfs/dbraw/zinc/00/51/82/372005182.db2.gz XDNZESGFBVAAIK-UHFFFAOYSA-N 2 2 271.364 3.147 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423180546 372009286 /nfs/dbraw/zinc/00/92/86/372009286.db2.gz FFCLGCKCORKHMR-HKUYNNGSSA-N 2 2 298.405 3.451 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)cc(Cl)c1 ZINC000423184756 372013395 /nfs/dbraw/zinc/01/33/95/372013395.db2.gz IPUJDHBDEBBUPR-NOZJJQNGSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408123 372062629 /nfs/dbraw/zinc/06/26/29/372062629.db2.gz WZVYSNROMJMLQY-XLQHLMKVSA-N 2 2 268.404 3.474 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423564747 372074327 /nfs/dbraw/zinc/07/43/27/372074327.db2.gz SCUXLBGKSLOZBV-CJNGLKHVSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672488 541868598 /nfs/dbraw/zinc/86/85/98/541868598.db2.gz JQAHFTZECPZOMZ-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672488 541868601 /nfs/dbraw/zinc/86/86/01/541868601.db2.gz JQAHFTZECPZOMZ-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@H]3CC34CCCC4)c2)c[nH+]1 ZINC000428552556 372230535 /nfs/dbraw/zinc/23/05/35/372230535.db2.gz VOXOSFKFMHEMSJ-AWEZNQCLSA-N 2 2 273.405 3.356 20 0 CGADLP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000292989694 372271719 /nfs/dbraw/zinc/27/17/19/372271719.db2.gz GJHDWGGJJKSRCK-GFCCVEGCSA-N 2 2 289.810 3.276 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@@H+]1C ZINC000344357327 217165641 /nfs/dbraw/zinc/16/56/41/217165641.db2.gz NVZFLJLUPOYQKS-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CCC[N@H+]1C ZINC000344357327 217165644 /nfs/dbraw/zinc/16/56/44/217165644.db2.gz NVZFLJLUPOYQKS-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000430931901 372407072 /nfs/dbraw/zinc/40/70/72/372407072.db2.gz XOUMOZAIMUAELN-MRXNPFEDSA-N 2 2 298.430 3.072 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000430931901 372407076 /nfs/dbraw/zinc/40/70/76/372407076.db2.gz XOUMOZAIMUAELN-MRXNPFEDSA-N 2 2 298.430 3.072 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432239236 372550577 /nfs/dbraw/zinc/55/05/77/372550577.db2.gz ZJSNRSWDDRSAGH-UHFFFAOYSA-N 2 2 279.186 3.174 20 0 CGADLP CC1(C)CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295110836 372692341 /nfs/dbraw/zinc/69/23/41/372692341.db2.gz XHTXHNMAJNCXLR-OAHLLOKOSA-N 2 2 287.451 3.466 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000435376900 372753705 /nfs/dbraw/zinc/75/37/05/372753705.db2.gz WAAOJOGLAGIZSQ-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000435376900 372753711 /nfs/dbraw/zinc/75/37/11/372753711.db2.gz WAAOJOGLAGIZSQ-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435619004 372786925 /nfs/dbraw/zinc/78/69/25/372786925.db2.gz VYKXOTIFGLWFSR-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435619004 372786932 /nfs/dbraw/zinc/78/69/32/372786932.db2.gz VYKXOTIFGLWFSR-MRXNPFEDSA-N 2 2 299.418 3.224 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569251 372831565 /nfs/dbraw/zinc/83/15/65/372831565.db2.gz ZVALYVFBWNYVAR-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569251 372831572 /nfs/dbraw/zinc/83/15/72/372831572.db2.gz ZVALYVFBWNYVAR-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569251 372831576 /nfs/dbraw/zinc/83/15/76/372831576.db2.gz ZVALYVFBWNYVAR-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1cc(F)cc(F)c1 ZINC000295569251 372831581 /nfs/dbraw/zinc/83/15/81/372831581.db2.gz ZVALYVFBWNYVAR-PBFPGSCMSA-N 2 2 294.389 3.094 20 0 CGADLP Cc1cccc(C[NH2+]CCc2cc[nH+]cc2C)c1F ZINC000295677276 372872634 /nfs/dbraw/zinc/87/26/34/372872634.db2.gz KOCKCQRZXGCPNZ-UHFFFAOYSA-N 2 2 258.340 3.170 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000438193004 372910606 /nfs/dbraw/zinc/91/06/06/372910606.db2.gz RYUZOHFEWHZBSK-HOCLYGCPSA-N 2 2 278.415 3.221 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000438193004 372910614 /nfs/dbraw/zinc/91/06/14/372910614.db2.gz RYUZOHFEWHZBSK-HOCLYGCPSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@H](COC)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295975729 372981283 /nfs/dbraw/zinc/98/12/83/372981283.db2.gz IZTMYWHHLSLUCQ-GFCCVEGCSA-N 2 2 293.798 3.040 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172575948 372990163 /nfs/dbraw/zinc/99/01/63/372990163.db2.gz XMMWGRYMFZWFIU-INIZCTEOSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172575948 372990176 /nfs/dbraw/zinc/99/01/76/372990176.db2.gz XMMWGRYMFZWFIU-INIZCTEOSA-N 2 2 294.389 3.415 20 0 CGADLP Clc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000172577757 372990451 /nfs/dbraw/zinc/99/04/51/372990451.db2.gz NEJAFIJYWPYLFS-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000172577757 372990463 /nfs/dbraw/zinc/99/04/63/372990463.db2.gz NEJAFIJYWPYLFS-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+](C)CCCOC)c1cccc(C)c1 ZINC000353528737 220140569 /nfs/dbraw/zinc/14/05/69/220140569.db2.gz HORHBQNSGOZNKV-KRWDZBQOSA-N 2 2 278.440 3.004 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+](C)CCCOC)c1cccc(C)c1 ZINC000353528737 220140572 /nfs/dbraw/zinc/14/05/72/220140572.db2.gz HORHBQNSGOZNKV-KRWDZBQOSA-N 2 2 278.440 3.004 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1F ZINC000296493662 373153157 /nfs/dbraw/zinc/15/31/57/373153157.db2.gz QQYCZTVUXCSXJC-UHFFFAOYSA-N 2 2 276.399 3.098 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000444652860 373220855 /nfs/dbraw/zinc/22/08/55/373220855.db2.gz KHYSAYHDVIXCFD-LJQANCHMSA-N 2 2 296.414 3.340 20 0 CGADLP CCc1ccccc1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000444652860 373220866 /nfs/dbraw/zinc/22/08/66/373220866.db2.gz KHYSAYHDVIXCFD-LJQANCHMSA-N 2 2 296.414 3.340 20 0 CGADLP Cc1ccc(CCCN2CC[N@@H+](C)Cc3ccccc32)c[nH+]1 ZINC000353587326 220173522 /nfs/dbraw/zinc/17/35/22/220173522.db2.gz HIZQQKSTQZXOBJ-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1ccc(CCCN2CC[N@H+](C)Cc3ccccc32)c[nH+]1 ZINC000353587326 220173524 /nfs/dbraw/zinc/17/35/24/220173524.db2.gz HIZQQKSTQZXOBJ-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000174135642 373256412 /nfs/dbraw/zinc/25/64/12/373256412.db2.gz JSAQFTIFAPEPJD-FUHWJXTLSA-N 2 2 299.418 3.166 20 0 CGADLP COc1cccc2c(NCC[NH+]3CCCC3)c(C)c[nH+]c12 ZINC000344896609 217349350 /nfs/dbraw/zinc/34/93/50/217349350.db2.gz RYRKHHXOSZZVFG-UHFFFAOYSA-N 2 2 285.391 3.060 20 0 CGADLP C[N@@H+]1CCCc2cc(NC3CC[NH+](C4CC4)CC3)ccc21 ZINC000297320461 373265856 /nfs/dbraw/zinc/26/58/56/373265856.db2.gz CGQYJXMULWZDTD-UHFFFAOYSA-N 2 2 285.435 3.108 20 0 CGADLP C[N@H+]1CCCc2cc(NC3CC[NH+](C4CC4)CC3)ccc21 ZINC000297320461 373265865 /nfs/dbraw/zinc/26/58/65/373265865.db2.gz CGQYJXMULWZDTD-UHFFFAOYSA-N 2 2 285.435 3.108 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@@H+]1C ZINC000446762059 373360035 /nfs/dbraw/zinc/36/00/35/373360035.db2.gz NCUUWDRKNCDPME-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@H+]1C ZINC000446762059 373360041 /nfs/dbraw/zinc/36/00/41/373360041.db2.gz NCUUWDRKNCDPME-WBMJQRKESA-N 2 2 298.833 3.484 20 0 CGADLP COC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836035 373369423 /nfs/dbraw/zinc/36/94/23/373369423.db2.gz OENQMFTWUAPOHY-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCC1 ZINC000446836035 373369432 /nfs/dbraw/zinc/36/94/32/373369432.db2.gz OENQMFTWUAPOHY-ZWKOTPCHSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000447127231 373409681 /nfs/dbraw/zinc/40/96/81/373409681.db2.gz CBNXFBGDIZDQBV-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)nc(C)[nH+]1 ZINC000298728952 373393602 /nfs/dbraw/zinc/39/36/02/373393602.db2.gz RFDJLQLRRVPRBW-UHFFFAOYSA-N 2 2 297.406 3.091 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc[nH+]c(N)c2)[C@@H](c2ccco2)C1 ZINC000299196704 373480035 /nfs/dbraw/zinc/48/00/35/373480035.db2.gz FFIMRQLACAUDPQ-GXTWGEPZSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc[nH+]c(N)c2)[C@@H](c2ccco2)C1 ZINC000299196704 373480050 /nfs/dbraw/zinc/48/00/50/373480050.db2.gz FFIMRQLACAUDPQ-GXTWGEPZSA-N 2 2 271.364 3.230 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCC[N@@H+]1C ZINC000448334768 373563223 /nfs/dbraw/zinc/56/32/23/373563223.db2.gz KNOYGDSUESQHSO-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCC[N@H+]1C ZINC000448334768 373563229 /nfs/dbraw/zinc/56/32/29/373563229.db2.gz KNOYGDSUESQHSO-KDOFPFPSSA-N 2 2 268.404 3.412 20 0 CGADLP CC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000176979430 373645145 /nfs/dbraw/zinc/64/51/45/373645145.db2.gz MDBMAHFWQSJREO-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000176979430 373645148 /nfs/dbraw/zinc/64/51/48/373645148.db2.gz MDBMAHFWQSJREO-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP Cc1ncsc1C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353657716 220229397 /nfs/dbraw/zinc/22/93/97/220229397.db2.gz OXPMHFHEKKJALR-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1ncsc1C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353657716 220229400 /nfs/dbraw/zinc/22/94/00/220229400.db2.gz OXPMHFHEKKJALR-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449438716 373715816 /nfs/dbraw/zinc/71/58/16/373715816.db2.gz CWNIBSZXLRFIKF-CPUCHLNUSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000449438716 373715823 /nfs/dbraw/zinc/71/58/23/373715823.db2.gz CWNIBSZXLRFIKF-CPUCHLNUSA-N 2 2 258.409 3.210 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000353657607 220230562 /nfs/dbraw/zinc/23/05/62/220230562.db2.gz OGZRVIHDPOZXHT-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000353657607 220230564 /nfs/dbraw/zinc/23/05/64/220230564.db2.gz OGZRVIHDPOZXHT-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@@H+]1C1CC1 ZINC000449195549 373669936 /nfs/dbraw/zinc/66/99/36/373669936.db2.gz ZISSOWHTRYANCV-JTTNIQEDSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C[N@H+]1C1CC1 ZINC000449195549 373669948 /nfs/dbraw/zinc/66/99/48/373669948.db2.gz ZISSOWHTRYANCV-JTTNIQEDSA-N 2 2 250.430 3.026 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177256229 373670092 /nfs/dbraw/zinc/67/00/92/373670092.db2.gz VMRYMWPUOYQQSK-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177256229 373670105 /nfs/dbraw/zinc/67/01/05/373670105.db2.gz VMRYMWPUOYQQSK-UHFFFAOYSA-N 2 2 296.349 3.038 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](OCC(C)C)C2)c[nH+]1 ZINC000353652063 220227264 /nfs/dbraw/zinc/22/72/64/220227264.db2.gz RCJDPMYEGATJGT-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](OCC(C)C)C2)c[nH+]1 ZINC000353652063 220227269 /nfs/dbraw/zinc/22/72/69/220227269.db2.gz RCJDPMYEGATJGT-QGZVFWFLSA-N 2 2 276.424 3.070 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@H+](C)Cc1ccccc1 ZINC000178074082 373742359 /nfs/dbraw/zinc/74/23/59/373742359.db2.gz VDMFNWWIQCBWBU-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000178074082 373742363 /nfs/dbraw/zinc/74/23/63/373742363.db2.gz VDMFNWWIQCBWBU-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000449491096 373781204 /nfs/dbraw/zinc/78/12/04/373781204.db2.gz FGGFKIAUCXSAMW-ROUUACIJSA-N 2 2 290.451 3.363 20 0 CGADLP Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(C(C)C)[nH+]1 ZINC000301673135 373797444 /nfs/dbraw/zinc/79/74/44/373797444.db2.gz ZTISTIATYWFLOA-CYBMUJFWSA-N 2 2 285.395 3.016 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000179384634 373864814 /nfs/dbraw/zinc/86/48/14/373864814.db2.gz RIZIWCZMIRKFKC-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681524 373905720 /nfs/dbraw/zinc/90/57/20/373905720.db2.gz IIHJJOVDLSHYOK-ZIAGYGMSSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681524 373905723 /nfs/dbraw/zinc/90/57/23/373905723.db2.gz IIHJJOVDLSHYOK-ZIAGYGMSSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@@H+]1C ZINC000179754504 373912994 /nfs/dbraw/zinc/91/29/94/373912994.db2.gz LGJGNVZQNOKLTI-JSGCOSHPSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC[N@H+]1C ZINC000179754504 373913003 /nfs/dbraw/zinc/91/30/03/373913003.db2.gz LGJGNVZQNOKLTI-JSGCOSHPSA-N 2 2 294.389 3.416 20 0 CGADLP CC(C)c1nc(NC2CC[NH+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302805932 373969642 /nfs/dbraw/zinc/96/96/42/373969642.db2.gz WWSNXYWWUGTHSE-UHFFFAOYSA-N 2 2 290.455 3.404 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180234808 373980729 /nfs/dbraw/zinc/98/07/29/373980729.db2.gz ICWRFGODYKROGR-FMKPAKJESA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180234808 373980732 /nfs/dbraw/zinc/98/07/32/373980732.db2.gz ICWRFGODYKROGR-FMKPAKJESA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCCC[C@H]12 ZINC000180764137 374044400 /nfs/dbraw/zinc/04/44/00/374044400.db2.gz PKOJICUMXRKBCR-BMFZPTHFSA-N 2 2 269.392 3.345 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]2CCCC[C@H]12 ZINC000180764137 374044405 /nfs/dbraw/zinc/04/44/05/374044405.db2.gz PKOJICUMXRKBCR-BMFZPTHFSA-N 2 2 269.392 3.345 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000289505122 197380680 /nfs/dbraw/zinc/38/06/80/197380680.db2.gz DUZHSCODCOKEGP-UHFFFAOYSA-N 2 2 279.387 3.248 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000289505122 197380681 /nfs/dbraw/zinc/38/06/81/197380681.db2.gz DUZHSCODCOKEGP-UHFFFAOYSA-N 2 2 279.387 3.248 20 0 CGADLP CO[C@]1(C)CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888676 374184587 /nfs/dbraw/zinc/18/45/87/374184587.db2.gz ADMBYKIMOLQVLG-IAGOWNOFSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888676 374184592 /nfs/dbraw/zinc/18/45/92/374184592.db2.gz ADMBYKIMOLQVLG-IAGOWNOFSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450888676 374184594 /nfs/dbraw/zinc/18/45/94/374184594.db2.gz ADMBYKIMOLQVLG-IAGOWNOFSA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@]1(C)CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450888676 374184599 /nfs/dbraw/zinc/18/45/99/374184599.db2.gz ADMBYKIMOLQVLG-IAGOWNOFSA-N 2 2 282.472 3.140 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000182035014 374206523 /nfs/dbraw/zinc/20/65/23/374206523.db2.gz IZOKZEPDWSCUKL-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000182035014 374206528 /nfs/dbraw/zinc/20/65/28/374206528.db2.gz IZOKZEPDWSCUKL-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069214 374212412 /nfs/dbraw/zinc/21/24/12/374212412.db2.gz MTNSNHPDHMYQLC-ZMSDIMECSA-N 2 2 272.436 3.080 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000182069214 374212421 /nfs/dbraw/zinc/21/24/21/374212421.db2.gz MTNSNHPDHMYQLC-ZMSDIMECSA-N 2 2 272.436 3.080 20 0 CGADLP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000311140648 374233797 /nfs/dbraw/zinc/23/37/97/374233797.db2.gz GBXQBOURFMEFAR-BFHYXJOUSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000311140648 374233802 /nfs/dbraw/zinc/23/38/02/374233802.db2.gz GBXQBOURFMEFAR-BFHYXJOUSA-N 2 2 272.383 3.028 20 0 CGADLP CCC(CC)[N@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000182818637 374331944 /nfs/dbraw/zinc/33/19/44/374331944.db2.gz BUAHVWUNXXTXOZ-UHFFFAOYSA-N 2 2 251.418 3.420 20 0 CGADLP CCC(CC)[N@@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000182818637 374331949 /nfs/dbraw/zinc/33/19/49/374331949.db2.gz BUAHVWUNXXTXOZ-UHFFFAOYSA-N 2 2 251.418 3.420 20 0 CGADLP c1cn(CCC[N@H+](C2CC2)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000182878016 374337207 /nfs/dbraw/zinc/33/72/07/374337207.db2.gz BEGXZAMSLNNSIW-SFHVURJKSA-N 2 2 281.403 3.425 20 0 CGADLP c1cn(CCC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000182878016 374337211 /nfs/dbraw/zinc/33/72/11/374337211.db2.gz BEGXZAMSLNNSIW-SFHVURJKSA-N 2 2 281.403 3.425 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328525407 374365740 /nfs/dbraw/zinc/36/57/40/374365740.db2.gz TXPOYMLIIUOPTK-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328525407 374365746 /nfs/dbraw/zinc/36/57/46/374365746.db2.gz TXPOYMLIIUOPTK-BXUZGUMPSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000453263167 374378074 /nfs/dbraw/zinc/37/80/74/374378074.db2.gz UCNRGHBIDVOKAP-ZENOOKHLSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000453263167 374378080 /nfs/dbraw/zinc/37/80/80/374378080.db2.gz UCNRGHBIDVOKAP-ZENOOKHLSA-N 2 2 264.388 3.125 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@]3(CC=CCC3)C2)c[nH+]1 ZINC000183178992 374383040 /nfs/dbraw/zinc/38/30/40/374383040.db2.gz BANIENWARVDBFY-MRXNPFEDSA-N 2 2 259.397 3.096 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@]3(CC=CCC3)C2)c[nH+]1 ZINC000183178992 374383042 /nfs/dbraw/zinc/38/30/42/374383042.db2.gz BANIENWARVDBFY-MRXNPFEDSA-N 2 2 259.397 3.096 20 0 CGADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335526 541966881 /nfs/dbraw/zinc/96/68/81/541966881.db2.gz IINZFCBLPDPKFS-ZWKOTPCHSA-N 2 2 270.420 3.212 20 0 CGADLP c1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335526 541966878 /nfs/dbraw/zinc/96/68/78/541966878.db2.gz IINZFCBLPDPKFS-ZWKOTPCHSA-N 2 2 270.420 3.212 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@@H+]1C1CC1 ZINC000185185777 374603472 /nfs/dbraw/zinc/60/34/72/374603472.db2.gz QMSQLRDSFXCGFB-BXUZGUMPSA-N 2 2 280.362 3.339 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C[N@H+]1C1CC1 ZINC000185185777 374603482 /nfs/dbraw/zinc/60/34/82/374603482.db2.gz QMSQLRDSFXCGFB-BXUZGUMPSA-N 2 2 280.362 3.339 20 0 CGADLP CC1=CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000334254495 374663540 /nfs/dbraw/zinc/66/35/40/374663540.db2.gz KRMZCDSPRXJFIR-OAHLLOKOSA-N 2 2 271.408 3.139 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413091 374729609 /nfs/dbraw/zinc/72/96/09/374729609.db2.gz MHZJUYTWWUDHBU-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413091 374729616 /nfs/dbraw/zinc/72/96/16/374729616.db2.gz MHZJUYTWWUDHBU-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000185795982 374739391 /nfs/dbraw/zinc/73/93/91/374739391.db2.gz JEAUJKYTTLAJSM-KRWDZBQOSA-N 2 2 269.392 3.110 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000185795982 374739400 /nfs/dbraw/zinc/73/94/00/374739400.db2.gz JEAUJKYTTLAJSM-KRWDZBQOSA-N 2 2 269.392 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186319672 374831932 /nfs/dbraw/zinc/83/19/32/374831932.db2.gz XRGGNFNCRGNDBD-NUEKZKHPSA-N 2 2 278.465 3.163 20 0 CGADLP CCSc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000186186594 374810700 /nfs/dbraw/zinc/81/07/00/374810700.db2.gz GSTKFOZDARWWEE-UHFFFAOYSA-N 2 2 278.465 3.325 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000463744211 374849562 /nfs/dbraw/zinc/84/95/62/374849562.db2.gz IAHFTDORKWQLQA-RDJZCZTQSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000463744211 374849568 /nfs/dbraw/zinc/84/95/68/374849568.db2.gz IAHFTDORKWQLQA-RDJZCZTQSA-N 2 2 290.451 3.438 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCSCC1 ZINC000187284856 374998296 /nfs/dbraw/zinc/99/82/96/374998296.db2.gz CQDDPFUIKPLOFI-ZDUSSCGKSA-N 2 2 279.453 3.005 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000335026014 375079687 /nfs/dbraw/zinc/07/96/87/375079687.db2.gz YAFSAELJRRVMNB-IRXDYDNUSA-N 2 2 270.351 3.369 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2Cc3ccccc3C3(CC3)C2)[nH+]1 ZINC000187677391 375069550 /nfs/dbraw/zinc/06/95/50/375069550.db2.gz RWGQEKOTUOXOLO-UHFFFAOYSA-N 2 2 289.382 3.382 20 0 CGADLP c1cn2c(cccc2C[N@H+]2Cc3ccccc3C3(CC3)C2)[nH+]1 ZINC000187677391 375069556 /nfs/dbraw/zinc/06/95/56/375069556.db2.gz RWGQEKOTUOXOLO-UHFFFAOYSA-N 2 2 289.382 3.382 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189061388 375316033 /nfs/dbraw/zinc/31/60/33/375316033.db2.gz PEKFSFITCIXZSH-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189066308 375318339 /nfs/dbraw/zinc/31/83/39/375318339.db2.gz CSPJQFVUKZGHAQ-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189066308 375318343 /nfs/dbraw/zinc/31/83/43/375318343.db2.gz CSPJQFVUKZGHAQ-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292191204 296227628 /nfs/dbraw/zinc/22/76/28/296227628.db2.gz RIKXGBZQCCHFJE-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292191204 296227629 /nfs/dbraw/zinc/22/76/29/296227629.db2.gz RIKXGBZQCCHFJE-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292191204 296227630 /nfs/dbraw/zinc/22/76/30/296227630.db2.gz RIKXGBZQCCHFJE-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292191204 296227632 /nfs/dbraw/zinc/22/76/32/296227632.db2.gz RIKXGBZQCCHFJE-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000491582200 375333858 /nfs/dbraw/zinc/33/38/58/375333858.db2.gz VFWHGJDDQKCBFH-MJBXVCDLSA-N 2 2 274.399 3.132 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)[C@@H](C)C1 ZINC000491582200 375333866 /nfs/dbraw/zinc/33/38/66/375333866.db2.gz VFWHGJDDQKCBFH-MJBXVCDLSA-N 2 2 274.399 3.132 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000335684309 375343974 /nfs/dbraw/zinc/34/39/74/375343974.db2.gz JUSVSTNSTRCHGL-HUUCEWRRSA-N 2 2 269.392 3.166 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC000335697273 375354728 /nfs/dbraw/zinc/35/47/28/375354728.db2.gz ZAJSWFJBOJAOFS-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC000335697273 375354731 /nfs/dbraw/zinc/35/47/31/375354731.db2.gz ZAJSWFJBOJAOFS-LBPRGKRZSA-N 2 2 272.845 3.318 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000189375277 375379151 /nfs/dbraw/zinc/37/91/51/375379151.db2.gz PJOJDEDJNQYRGN-UHFFFAOYSA-N 2 2 293.773 3.466 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191005372 375562913 /nfs/dbraw/zinc/56/29/13/375562913.db2.gz NORSJCHSOZHAEK-INIZCTEOSA-N 2 2 291.439 3.087 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191005372 375562915 /nfs/dbraw/zinc/56/29/15/375562915.db2.gz NORSJCHSOZHAEK-INIZCTEOSA-N 2 2 291.439 3.087 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000336001096 375608078 /nfs/dbraw/zinc/60/80/78/375608078.db2.gz VDNYATLFWZBOSZ-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000336001096 375608083 /nfs/dbraw/zinc/60/80/83/375608083.db2.gz VDNYATLFWZBOSZ-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@H]1C ZINC000192035162 375691910 /nfs/dbraw/zinc/69/19/10/375691910.db2.gz XDDKGJGHCFPPAC-CQSZACIVSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@H]1C ZINC000192035162 375691914 /nfs/dbraw/zinc/69/19/14/375691914.db2.gz XDDKGJGHCFPPAC-CQSZACIVSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127838611 542048531 /nfs/dbraw/zinc/04/85/31/542048531.db2.gz SQNSYQBECAWLOQ-HZPDHXFCSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127838611 542048532 /nfs/dbraw/zinc/04/85/32/542048532.db2.gz SQNSYQBECAWLOQ-HZPDHXFCSA-N 2 2 287.451 3.490 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000192945988 375807072 /nfs/dbraw/zinc/80/70/72/375807072.db2.gz GNHIAOCSJZFRNE-ZDUSSCGKSA-N 2 2 295.386 3.401 20 0 CGADLP COC[C@H](Cc1ccccc1)[N@H+](C)CCc1cc[nH+]cc1C ZINC000519601135 375849336 /nfs/dbraw/zinc/84/93/36/375849336.db2.gz VBYBIHAGDWCTEI-IBGZPJMESA-N 2 2 298.430 3.122 20 0 CGADLP COC[C@H](Cc1ccccc1)[N@@H+](C)CCc1cc[nH+]cc1C ZINC000519601135 375849343 /nfs/dbraw/zinc/84/93/43/375849343.db2.gz VBYBIHAGDWCTEI-IBGZPJMESA-N 2 2 298.430 3.122 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@@H+](C3CCCC3)C2)n2c1CCCC2 ZINC000336588697 375855699 /nfs/dbraw/zinc/85/56/99/375855699.db2.gz QZVIATZBMRWSGA-AWEZNQCLSA-N 2 2 273.424 3.341 20 0 CGADLP c1[nH+]c([C@H]2CCC[N@H+](C3CCCC3)C2)n2c1CCCC2 ZINC000336588697 375855702 /nfs/dbraw/zinc/85/57/02/375855702.db2.gz QZVIATZBMRWSGA-AWEZNQCLSA-N 2 2 273.424 3.341 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000520498193 375859848 /nfs/dbraw/zinc/85/98/48/375859848.db2.gz LXTABFDROCTMGP-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000520498193 375859855 /nfs/dbraw/zinc/85/98/55/375859855.db2.gz LXTABFDROCTMGP-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000336832451 375994286 /nfs/dbraw/zinc/99/42/86/375994286.db2.gz FIHIXENJGZJSDB-NKGKWGDASA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000336832451 375994289 /nfs/dbraw/zinc/99/42/89/375994289.db2.gz FIHIXENJGZJSDB-NKGKWGDASA-N 2 2 270.420 3.451 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000194338181 375985871 /nfs/dbraw/zinc/98/58/71/375985871.db2.gz WQDYSUPIFZQPNG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000194338181 375985873 /nfs/dbraw/zinc/98/58/73/375985873.db2.gz WQDYSUPIFZQPNG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000194338181 375985877 /nfs/dbraw/zinc/98/58/77/375985877.db2.gz WQDYSUPIFZQPNG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000194338181 375985879 /nfs/dbraw/zinc/98/58/79/375985879.db2.gz WQDYSUPIFZQPNG-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337175003 376114513 /nfs/dbraw/zinc/11/45/13/376114513.db2.gz HPOMVFMUKJBTAG-CVEARBPZSA-N 2 2 277.456 3.357 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337175003 376114521 /nfs/dbraw/zinc/11/45/21/376114521.db2.gz HPOMVFMUKJBTAG-CVEARBPZSA-N 2 2 277.456 3.357 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000536881049 376142070 /nfs/dbraw/zinc/14/20/70/376142070.db2.gz FKUMUNUBLVOOAM-CRAIPNDOSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000536881049 376142077 /nfs/dbraw/zinc/14/20/77/376142077.db2.gz FKUMUNUBLVOOAM-CRAIPNDOSA-N 2 2 274.452 3.457 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000218227293 376187425 /nfs/dbraw/zinc/18/74/25/376187425.db2.gz YTSMVOYTTRNBOF-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cscn1 ZINC000218227293 376187428 /nfs/dbraw/zinc/18/74/28/376187428.db2.gz YTSMVOYTTRNBOF-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP CC[N@H+](C)CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000221281922 376214900 /nfs/dbraw/zinc/21/49/00/376214900.db2.gz YEWHIZBYYRMVKP-UHFFFAOYSA-N 2 2 282.431 3.360 20 0 CGADLP CC[N@@H+](C)CC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000221281922 376214903 /nfs/dbraw/zinc/21/49/03/376214903.db2.gz YEWHIZBYYRMVKP-UHFFFAOYSA-N 2 2 282.431 3.360 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337469493 376222373 /nfs/dbraw/zinc/22/23/73/376222373.db2.gz NBFORFPLAPBUNN-IAGOWNOFSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337469493 376222376 /nfs/dbraw/zinc/22/23/76/376222376.db2.gz NBFORFPLAPBUNN-IAGOWNOFSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[N@@H+]1C1CC1 ZINC000221861453 376223830 /nfs/dbraw/zinc/22/38/30/376223830.db2.gz PVMJCXXSYPUBQU-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[N@H+]1C1CC1 ZINC000221861453 376223833 /nfs/dbraw/zinc/22/38/33/376223833.db2.gz PVMJCXXSYPUBQU-DZGCQCFKSA-N 2 2 250.430 3.172 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)[nH+]c1 ZINC000337987405 376250066 /nfs/dbraw/zinc/25/00/66/376250066.db2.gz KJFOKJOGFNIMJC-IAGOWNOFSA-N 2 2 285.435 3.219 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CCC2 ZINC000337993772 376252144 /nfs/dbraw/zinc/25/21/44/376252144.db2.gz TWKJJWOVGKZDAQ-ARFHVFGLSA-N 2 2 273.424 3.237 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000223822033 376264476 /nfs/dbraw/zinc/26/44/76/376264476.db2.gz ROMFGYLHMBMXIJ-LBPRGKRZSA-N 2 2 282.378 3.490 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000338290193 376318100 /nfs/dbraw/zinc/31/81/00/376318100.db2.gz KTKIGWAEVPZXBQ-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000338290193 376318103 /nfs/dbraw/zinc/31/81/03/376318103.db2.gz KTKIGWAEVPZXBQ-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000338478379 376389533 /nfs/dbraw/zinc/38/95/33/376389533.db2.gz WGFNZUSGBDIARC-QDMKHBRRSA-N 2 2 287.407 3.018 20 0 CGADLP Cc1ccc(C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)c[nH+]1 ZINC000543061099 376602653 /nfs/dbraw/zinc/60/26/53/376602653.db2.gz RPNSYRYVTRUDQH-UHFFFAOYSA-N 2 2 298.390 3.030 20 0 CGADLP CC(C)COc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000338989027 376614401 /nfs/dbraw/zinc/61/44/01/376614401.db2.gz SJHFEAQHBKRCLM-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CCCO1 ZINC000544356539 376724793 /nfs/dbraw/zinc/72/47/93/376724793.db2.gz CDWWVLLGTYOBNS-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCO1 ZINC000544356539 376724796 /nfs/dbraw/zinc/72/47/96/376724796.db2.gz CDWWVLLGTYOBNS-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155740793 542125075 /nfs/dbraw/zinc/12/50/75/542125075.db2.gz KYHLFSKITLYVJV-ZDUSSCGKSA-N 2 2 293.823 3.363 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245683344 376878964 /nfs/dbraw/zinc/87/89/64/376878964.db2.gz ACQQCYOKOVTECP-GXTWGEPZSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245683344 376878970 /nfs/dbraw/zinc/87/89/70/376878970.db2.gz ACQQCYOKOVTECP-GXTWGEPZSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccco2)CCC[N@@H+]1Cc1ccccc1 ZINC000340181358 376937831 /nfs/dbraw/zinc/93/78/31/376937831.db2.gz KEMDSERHZXNNGO-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCc2ccco2)CCC[N@H+]1Cc1ccccc1 ZINC000340181358 376937837 /nfs/dbraw/zinc/93/78/37/376937837.db2.gz KEMDSERHZXNNGO-LPHOPBHVSA-N 2 2 298.430 3.465 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C2CC2)c1 ZINC000340200188 376946768 /nfs/dbraw/zinc/94/67/68/376946768.db2.gz HQQASGSCFGDLLY-CXAGYDPISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000340200188 376946778 /nfs/dbraw/zinc/94/67/78/376946778.db2.gz HQQASGSCFGDLLY-CXAGYDPISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340233991 376955868 /nfs/dbraw/zinc/95/58/68/376955868.db2.gz GPVUHCJFOSDEQW-CXAGYDPISA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C2CC2)c1 ZINC000340233991 376955876 /nfs/dbraw/zinc/95/58/76/376955876.db2.gz GPVUHCJFOSDEQW-CXAGYDPISA-N 2 2 270.420 3.451 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C2CC2)c1 ZINC000340385743 377028273 /nfs/dbraw/zinc/02/82/73/377028273.db2.gz ANKHYTFNALJRNK-BLLLJJGKSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340385743 377028277 /nfs/dbraw/zinc/02/82/77/377028277.db2.gz ANKHYTFNALJRNK-BLLLJJGKSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000558650736 377029525 /nfs/dbraw/zinc/02/95/25/377029525.db2.gz YWJQYHCUXSZUFF-LVDPKSTMSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000558650736 377029530 /nfs/dbraw/zinc/02/95/30/377029530.db2.gz YWJQYHCUXSZUFF-LVDPKSTMSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426080 377052272 /nfs/dbraw/zinc/05/22/72/377052272.db2.gz FBWJKPHUTCYGST-MLGOLLRUSA-N 2 2 294.389 3.371 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000340426080 377052280 /nfs/dbraw/zinc/05/22/80/377052280.db2.gz FBWJKPHUTCYGST-MLGOLLRUSA-N 2 2 294.389 3.371 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000558254576 376988710 /nfs/dbraw/zinc/98/87/10/376988710.db2.gz JLSSVKLHAQOADZ-DAYGRLMNSA-N 2 2 290.451 3.117 20 0 CGADLP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000558254576 376988716 /nfs/dbraw/zinc/98/87/16/376988716.db2.gz JLSSVKLHAQOADZ-DAYGRLMNSA-N 2 2 290.451 3.117 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000340476332 377089135 /nfs/dbraw/zinc/08/91/35/377089135.db2.gz UGHMCZODISFTKB-CABCVRRESA-N 2 2 298.434 3.286 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000559893916 377105122 /nfs/dbraw/zinc/10/51/22/377105122.db2.gz PZUHAFXPBUSARL-RDJZCZTQSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)C1([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000559893916 377105135 /nfs/dbraw/zinc/10/51/35/377105135.db2.gz PZUHAFXPBUSARL-RDJZCZTQSA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000560235577 377130569 /nfs/dbraw/zinc/13/05/69/377130569.db2.gz KCWRAQMOLWCZTQ-VSVYTNTFSA-N 2 2 272.436 3.285 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000560235577 377130577 /nfs/dbraw/zinc/13/05/77/377130577.db2.gz KCWRAQMOLWCZTQ-VSVYTNTFSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000246978753 377130941 /nfs/dbraw/zinc/13/09/41/377130941.db2.gz JXLZADUKWMZVDL-QWQRMKEZSA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000246978753 377130953 /nfs/dbraw/zinc/13/09/53/377130953.db2.gz JXLZADUKWMZVDL-QWQRMKEZSA-N 2 2 270.420 3.451 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000560856055 377195449 /nfs/dbraw/zinc/19/54/49/377195449.db2.gz WVCLTLGWGISZOK-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000560856055 377195455 /nfs/dbraw/zinc/19/54/55/377195455.db2.gz WVCLTLGWGISZOK-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560249962 377135405 /nfs/dbraw/zinc/13/54/05/377135405.db2.gz KJKYZAPGTRVBNH-HRCADAONSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560249962 377135409 /nfs/dbraw/zinc/13/54/09/377135409.db2.gz KJKYZAPGTRVBNH-HRCADAONSA-N 2 2 284.488 3.290 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247361554 377196914 /nfs/dbraw/zinc/19/69/14/377196914.db2.gz OOTFPNFVYLDOLB-GXTWGEPZSA-N 2 2 298.377 3.169 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247361554 377196919 /nfs/dbraw/zinc/19/69/19/377196919.db2.gz OOTFPNFVYLDOLB-GXTWGEPZSA-N 2 2 298.377 3.169 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562017060 377267070 /nfs/dbraw/zinc/26/70/70/377267070.db2.gz RPBMIAISYAGGLR-HOTGVXAUSA-N 2 2 287.451 3.465 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+](C2CCC2)CC1 ZINC000562540560 377327345 /nfs/dbraw/zinc/32/73/45/377327345.db2.gz INKYMIUQGSLVBJ-UHFFFAOYSA-N 2 2 295.430 3.394 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1nccs1 ZINC000248396015 377305216 /nfs/dbraw/zinc/30/52/16/377305216.db2.gz GQUYPHNQXLAAMH-IHRRRGAJSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1nccs1 ZINC000248396015 377305223 /nfs/dbraw/zinc/30/52/23/377305223.db2.gz GQUYPHNQXLAAMH-IHRRRGAJSA-N 2 2 293.480 3.447 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000563039377 377390737 /nfs/dbraw/zinc/39/07/37/377390737.db2.gz WJSUQYDXTAXYDA-QAPCUYQASA-N 2 2 295.430 3.464 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000563039377 377390743 /nfs/dbraw/zinc/39/07/43/377390743.db2.gz WJSUQYDXTAXYDA-QAPCUYQASA-N 2 2 295.430 3.464 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000340987369 377347351 /nfs/dbraw/zinc/34/73/51/377347351.db2.gz PLYMKYKYEPDXPO-CQSZACIVSA-N 2 2 282.391 3.114 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000563440906 377465891 /nfs/dbraw/zinc/46/58/91/377465891.db2.gz OECMYBWBQSZXST-SJORKVTESA-N 2 2 269.392 3.154 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c[nH+]1 ZINC000249335788 377491793 /nfs/dbraw/zinc/49/17/93/377491793.db2.gz ZBJNXTBVPMNGKF-IJEWVQPXSA-N 2 2 290.455 3.068 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c[nH+]1 ZINC000249335788 377491801 /nfs/dbraw/zinc/49/18/01/377491801.db2.gz ZBJNXTBVPMNGKF-IJEWVQPXSA-N 2 2 290.455 3.068 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000163645519 542167871 /nfs/dbraw/zinc/16/78/71/542167871.db2.gz VRXLSCITPOVWSM-INIZCTEOSA-N 2 2 290.451 3.065 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000313819474 249093586 /nfs/dbraw/zinc/09/35/86/249093586.db2.gz KFXJRWMCIJOJBM-JQHSSLGASA-N 2 2 283.419 3.445 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902825 249094038 /nfs/dbraw/zinc/09/40/38/249094038.db2.gz PRVPUMBDYYJGGB-VNQPRFMTSA-N 2 2 294.389 3.239 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902825 249094040 /nfs/dbraw/zinc/09/40/40/249094040.db2.gz PRVPUMBDYYJGGB-VNQPRFMTSA-N 2 2 294.389 3.239 20 0 CGADLP Cc1cc(N(C)Cc2[nH]cc[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000428130908 249131784 /nfs/dbraw/zinc/13/17/84/249131784.db2.gz MKYAUZSFPOEZBS-UHFFFAOYSA-N 2 2 270.311 3.042 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573767680 377572861 /nfs/dbraw/zinc/57/28/61/377572861.db2.gz YYRBAKWLUDEEHI-LBPRGKRZSA-N 2 2 289.810 3.273 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000573767680 377572864 /nfs/dbraw/zinc/57/28/64/377572864.db2.gz YYRBAKWLUDEEHI-LBPRGKRZSA-N 2 2 289.810 3.273 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947197 249195822 /nfs/dbraw/zinc/19/58/22/249195822.db2.gz QIMNWQUFKGOXPL-DGCLKSJQSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514947197 249195823 /nfs/dbraw/zinc/19/58/23/249195823.db2.gz QIMNWQUFKGOXPL-DGCLKSJQSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000518331869 249279321 /nfs/dbraw/zinc/27/93/21/249279321.db2.gz MSTVXKVLMFWVQF-FAEJEUNOSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000518331869 249279323 /nfs/dbraw/zinc/27/93/23/249279323.db2.gz MSTVXKVLMFWVQF-FAEJEUNOSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])c1nccn1-c1ccccc1 ZINC000517356026 249263645 /nfs/dbraw/zinc/26/36/45/249263645.db2.gz AHHFLNBPSTYEPR-UAGQMJEPSA-N 2 2 298.434 3.183 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000564410146 322030011 /nfs/dbraw/zinc/03/00/11/322030011.db2.gz ISOQZILCTCAJDD-NZUILWFCSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000564410146 322030013 /nfs/dbraw/zinc/03/00/13/322030013.db2.gz ISOQZILCTCAJDD-NZUILWFCSA-N 2 2 262.441 3.051 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000253337077 377683074 /nfs/dbraw/zinc/68/30/74/377683074.db2.gz YXBNAHFWZMOBGC-USWWRNFRSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000253337077 377683081 /nfs/dbraw/zinc/68/30/81/377683081.db2.gz YXBNAHFWZMOBGC-USWWRNFRSA-N 2 2 284.856 3.319 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000342706676 377746818 /nfs/dbraw/zinc/74/68/18/377746818.db2.gz IYPMTVJAMZEUOF-WBAXXEDZSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000342706676 377746825 /nfs/dbraw/zinc/74/68/25/377746825.db2.gz IYPMTVJAMZEUOF-WBAXXEDZSA-N 2 2 290.451 3.117 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cc1Cl ZINC000261562675 377817875 /nfs/dbraw/zinc/81/78/75/377817875.db2.gz BMLMSAOMWUKNCT-QMMMGPOBSA-N 2 2 261.196 3.381 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000261589304 377824401 /nfs/dbraw/zinc/82/44/01/377824401.db2.gz WGSPQEXIVSNLBR-DDTOSNHZSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000261589304 377824408 /nfs/dbraw/zinc/82/44/08/377824408.db2.gz WGSPQEXIVSNLBR-DDTOSNHZSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000261607235 377825862 /nfs/dbraw/zinc/82/58/62/377825862.db2.gz RONYWNYBOJCDNO-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000261607235 377825866 /nfs/dbraw/zinc/82/58/66/377825866.db2.gz RONYWNYBOJCDNO-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1[NH3+] ZINC000262044738 377881531 /nfs/dbraw/zinc/88/15/31/377881531.db2.gz PPSZEEUCQOLNDR-WBMJQRKESA-N 2 2 272.417 3.194 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@@H]1[NH3+] ZINC000262044738 377881535 /nfs/dbraw/zinc/88/15/35/377881535.db2.gz PPSZEEUCQOLNDR-WBMJQRKESA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000265985984 190220701 /nfs/dbraw/zinc/22/07/01/190220701.db2.gz HMGNEMFJHHUKRD-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@H+]1C ZINC000265985984 190220702 /nfs/dbraw/zinc/22/07/02/190220702.db2.gz HMGNEMFJHHUKRD-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985984 190220703 /nfs/dbraw/zinc/22/07/03/190220703.db2.gz HMGNEMFJHHUKRD-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985984 190220704 /nfs/dbraw/zinc/22/07/04/190220704.db2.gz HMGNEMFJHHUKRD-GOEBONIOSA-N 2 2 299.418 3.256 20 0 CGADLP Cc1cccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)[nH+]1 ZINC000343399950 377970566 /nfs/dbraw/zinc/97/05/66/377970566.db2.gz BDNUASWEHCYVMO-UHFFFAOYSA-N 2 2 264.332 3.392 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)co2)cc1 ZINC000267885548 378046476 /nfs/dbraw/zinc/04/64/76/378046476.db2.gz QRZFMFQQNGYAMQ-HOCLYGCPSA-N 2 2 299.418 3.222 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)co2)cc1 ZINC000267885548 378046480 /nfs/dbraw/zinc/04/64/80/378046480.db2.gz QRZFMFQQNGYAMQ-HOCLYGCPSA-N 2 2 299.418 3.222 20 0 CGADLP CCc1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)o1 ZINC000578313927 378056813 /nfs/dbraw/zinc/05/68/13/378056813.db2.gz BHQZZWFMUKAYSL-JKSUJKDBSA-N 2 2 299.418 3.128 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](CO)CC2CCCC2)c[nH+]1 ZINC000343659729 378056968 /nfs/dbraw/zinc/05/69/68/378056968.db2.gz NXYVIFZSYSAKRZ-GOSISDBHSA-N 2 2 290.451 3.101 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000579163677 378135687 /nfs/dbraw/zinc/13/56/87/378135687.db2.gz RVFZDNFTJIFSAH-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000579163677 378135689 /nfs/dbraw/zinc/13/56/89/378135689.db2.gz RVFZDNFTJIFSAH-UHFFFAOYSA-N 2 2 292.320 3.228 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000268782636 378109451 /nfs/dbraw/zinc/10/94/51/378109451.db2.gz USPQLQSMRZDKMH-QGZVFWFLSA-N 2 2 295.361 3.293 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777585 378193457 /nfs/dbraw/zinc/19/34/57/378193457.db2.gz SIAKRYYZZKVJME-OLZOCXBDSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777585 378193465 /nfs/dbraw/zinc/19/34/65/378193465.db2.gz SIAKRYYZZKVJME-OLZOCXBDSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777585 378193469 /nfs/dbraw/zinc/19/34/69/378193469.db2.gz SIAKRYYZZKVJME-OLZOCXBDSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000579777585 378193476 /nfs/dbraw/zinc/19/34/76/378193476.db2.gz SIAKRYYZZKVJME-OLZOCXBDSA-N 2 2 295.496 3.213 20 0 CGADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C ZINC000345188219 378218950 /nfs/dbraw/zinc/21/89/50/378218950.db2.gz GEFFVFWVLLVJQO-NWDGAFQWSA-N 2 2 275.421 3.215 20 0 CGADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C ZINC000345188219 378218955 /nfs/dbraw/zinc/21/89/55/378218955.db2.gz GEFFVFWVLLVJQO-NWDGAFQWSA-N 2 2 275.421 3.215 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccnc1Cl ZINC000269047184 378179980 /nfs/dbraw/zinc/17/99/80/378179980.db2.gz VEOYQMVCNOHCCW-LBPRGKRZSA-N 2 2 293.842 3.403 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2c(Cl)cccc2Cl)n1C ZINC000582074066 378283936 /nfs/dbraw/zinc/28/39/36/378283936.db2.gz ZFZKLAYOLPXEDE-UHFFFAOYSA-N 2 2 284.190 3.325 20 0 CGADLP CCCc1csc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)n1 ZINC000494331862 535451014 /nfs/dbraw/zinc/45/10/14/535451014.db2.gz PGHMRQYGDUZHOW-AWEZNQCLSA-N 2 2 295.496 3.307 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000582359666 378306846 /nfs/dbraw/zinc/30/68/46/378306846.db2.gz BQUPEGIEBPWGPQ-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000582359666 378306851 /nfs/dbraw/zinc/30/68/51/378306851.db2.gz BQUPEGIEBPWGPQ-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1Cl ZINC000270697686 378390700 /nfs/dbraw/zinc/39/07/00/378390700.db2.gz ZMGRWHBGXQRLTR-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1Cl ZINC000270697686 378390704 /nfs/dbraw/zinc/39/07/04/378390704.db2.gz ZMGRWHBGXQRLTR-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000346298005 378537313 /nfs/dbraw/zinc/53/73/13/378537313.db2.gz ABLZUOBTRWEVBS-QGZVFWFLSA-N 2 2 287.382 3.038 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000346298005 378537316 /nfs/dbraw/zinc/53/73/16/378537316.db2.gz ABLZUOBTRWEVBS-QGZVFWFLSA-N 2 2 287.382 3.038 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315606 378540063 /nfs/dbraw/zinc/54/00/63/378540063.db2.gz UEYXWMXISIWHDN-ZWKOTPCHSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000346315606 378540065 /nfs/dbraw/zinc/54/00/65/378540065.db2.gz UEYXWMXISIWHDN-ZWKOTPCHSA-N 2 2 283.419 3.460 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCCO1 ZINC000346616943 378647625 /nfs/dbraw/zinc/64/76/25/378647625.db2.gz XEHQTNQRLBYGEL-ZMSDIMECSA-N 2 2 290.451 3.273 20 0 CGADLP c1cn(CC[NH2+]CC2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000347949675 378737372 /nfs/dbraw/zinc/73/73/72/378737372.db2.gz VQSWSQQDFHUDTP-UHFFFAOYSA-N 2 2 283.419 3.447 20 0 CGADLP COc1cc(C)cc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000348075917 378779681 /nfs/dbraw/zinc/77/96/81/378779681.db2.gz JICDKXWURAZAGX-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638370027 378781463 /nfs/dbraw/zinc/78/14/63/378781463.db2.gz HPNFCDLXTMQOJA-ZIAGYGMSSA-N 2 2 291.439 3.010 20 0 CGADLP Cc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)sn1 ZINC000638442588 378804453 /nfs/dbraw/zinc/80/44/53/378804453.db2.gz XLIVPVIBKPPNGS-UHFFFAOYSA-N 2 2 286.404 3.050 20 0 CGADLP CO[C@@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000638601125 378846732 /nfs/dbraw/zinc/84/67/32/378846732.db2.gz KFXLMVRRDDFESI-YOEHRIQHSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348236856 378855195 /nfs/dbraw/zinc/85/51/95/378855195.db2.gz CALSZDZMGNDAHE-NXHRZFHOSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348236856 378855201 /nfs/dbraw/zinc/85/52/01/378855201.db2.gz CALSZDZMGNDAHE-NXHRZFHOSA-N 2 2 272.436 3.112 20 0 CGADLP Cc1cccc(NCc2ccc(N3CCCCC3)[nH+]c2)[nH+]1 ZINC000274666188 378872299 /nfs/dbraw/zinc/87/22/99/378872299.db2.gz RCIBRYHALMVSRD-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP COCCCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000274858847 378907171 /nfs/dbraw/zinc/90/71/71/378907171.db2.gz RLNYBCLGYNZLOZ-SFHVURJKSA-N 2 2 292.467 3.159 20 0 CGADLP COCCCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000274858847 378907177 /nfs/dbraw/zinc/90/71/77/378907177.db2.gz RLNYBCLGYNZLOZ-SFHVURJKSA-N 2 2 292.467 3.159 20 0 CGADLP CC(C)SCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000348321655 378907681 /nfs/dbraw/zinc/90/76/81/378907681.db2.gz BYODXHZVVSVDCZ-UHFFFAOYSA-N 2 2 298.418 3.134 20 0 CGADLP CO[C@H](C[NH2+]CCc1cc[nH+]cc1C)C1CCCCC1 ZINC000638792985 378913574 /nfs/dbraw/zinc/91/35/74/378913574.db2.gz QPURXNKSXNLOKX-QGZVFWFLSA-N 2 2 276.424 3.117 20 0 CGADLP C[NH+](C)CC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000348340137 378917454 /nfs/dbraw/zinc/91/74/54/378917454.db2.gz XIIQDXRBUDXAKD-UHFFFAOYSA-N 2 2 260.425 3.038 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000347057472 218107309 /nfs/dbraw/zinc/10/73/09/218107309.db2.gz WBEMEHIVDWXPHH-OAHLLOKOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000347057472 218107310 /nfs/dbraw/zinc/10/73/10/218107310.db2.gz WBEMEHIVDWXPHH-OAHLLOKOSA-N 2 2 272.417 3.338 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348527033 378977788 /nfs/dbraw/zinc/97/77/88/378977788.db2.gz YUVNJWFJFSDJSD-KRWDZBQOSA-N 2 2 283.419 3.394 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348527033 378977793 /nfs/dbraw/zinc/97/77/93/378977793.db2.gz YUVNJWFJFSDJSD-KRWDZBQOSA-N 2 2 283.419 3.394 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC2CCC1CC2 ZINC000639070584 379000778 /nfs/dbraw/zinc/00/07/78/379000778.db2.gz ATRQAWMUZKCKSR-VLSVSDDBSA-N 2 2 273.424 3.002 20 0 CGADLP CC1(C)CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000370263241 379001637 /nfs/dbraw/zinc/00/16/37/379001637.db2.gz VXRRNMXANCSZOH-ZDUSSCGKSA-N 2 2 261.413 3.278 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccsc1 ZINC000276969651 379033050 /nfs/dbraw/zinc/03/30/50/379033050.db2.gz TZGPLHHOENZRLG-JSGCOSHPSA-N 2 2 263.410 3.464 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370683763 379054192 /nfs/dbraw/zinc/05/41/92/379054192.db2.gz ZPIIZZUWUJOGGP-HUUCEWRRSA-N 2 2 299.418 3.428 20 0 CGADLP C[C@H]1CCC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348833627 379073490 /nfs/dbraw/zinc/07/34/90/379073490.db2.gz NUIFJNKDUNMBCS-DZGCQCFKSA-N 2 2 270.380 3.317 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000639173726 379092730 /nfs/dbraw/zinc/09/27/30/379092730.db2.gz HNISDEHRFWLVAW-HNNXBMFYSA-N 2 2 292.471 3.208 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000639173726 379092742 /nfs/dbraw/zinc/09/27/42/379092742.db2.gz HNISDEHRFWLVAW-HNNXBMFYSA-N 2 2 292.471 3.208 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)nc1 ZINC000639176248 379096387 /nfs/dbraw/zinc/09/63/87/379096387.db2.gz TZXJKACHWAYFLD-UHFFFAOYSA-N 2 2 297.393 3.327 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)F)nc1 ZINC000639176248 379096391 /nfs/dbraw/zinc/09/63/91/379096391.db2.gz TZXJKACHWAYFLD-UHFFFAOYSA-N 2 2 297.393 3.327 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000639228152 379167540 /nfs/dbraw/zinc/16/75/40/379167540.db2.gz PZXFUVROTBVTSI-DYVFJYSZSA-N 2 2 291.439 3.116 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCO1 ZINC000192179393 542263625 /nfs/dbraw/zinc/26/36/25/542263625.db2.gz QVJWIVKCIWUHNE-ZWKOTPCHSA-N 2 2 299.418 3.228 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373109235 379224622 /nfs/dbraw/zinc/22/46/22/379224622.db2.gz FZFOPOZIZARENX-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373109235 379224627 /nfs/dbraw/zinc/22/46/27/379224627.db2.gz FZFOPOZIZARENX-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(F)c1 ZINC000349387371 379264679 /nfs/dbraw/zinc/26/46/79/379264679.db2.gz VDMAFAOMVDXAHQ-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(F)c1 ZINC000349387371 379264683 /nfs/dbraw/zinc/26/46/83/379264683.db2.gz VDMAFAOMVDXAHQ-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP COc1ccsc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374607 379328902 /nfs/dbraw/zinc/32/89/02/379328902.db2.gz HUHOBPFUBIDLOF-UHFFFAOYSA-N 2 2 294.464 3.207 20 0 CGADLP c1csc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278276130 379332628 /nfs/dbraw/zinc/33/26/28/379332628.db2.gz APTJWHLVPWPBIL-KBPBESRZSA-N 2 2 296.505 3.228 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000639379066 379336908 /nfs/dbraw/zinc/33/69/08/379336908.db2.gz MMQZBXCZZVRRAX-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP COc1cccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1F ZINC000192691281 542268663 /nfs/dbraw/zinc/26/86/63/542268663.db2.gz MRXNLSOULXIFPN-UHFFFAOYSA-N 2 2 296.430 3.433 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1sccc1Cl ZINC000278422663 379383050 /nfs/dbraw/zinc/38/30/50/379383050.db2.gz QVRLOUVLNPOCAB-UHFFFAOYSA-N 2 2 260.834 3.221 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1sccc1Cl ZINC000278422663 379383051 /nfs/dbraw/zinc/38/30/51/379383051.db2.gz QVRLOUVLNPOCAB-UHFFFAOYSA-N 2 2 260.834 3.221 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(C)(F)CC2)c[nH+]1 ZINC000639388507 379350172 /nfs/dbraw/zinc/35/01/72/379350172.db2.gz FIUIDVQYWYHPOV-UHFFFAOYSA-N 2 2 250.361 3.147 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000639399962 379364852 /nfs/dbraw/zinc/36/48/52/379364852.db2.gz WTVHIXXNEFWJHK-YATRRXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000639399962 379364859 /nfs/dbraw/zinc/36/48/59/379364859.db2.gz WTVHIXXNEFWJHK-YATRRXNKSA-N 2 2 292.373 3.004 20 0 CGADLP C[C@H](CC1CCOCC1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000349964182 379460961 /nfs/dbraw/zinc/46/09/61/379460961.db2.gz DKJQJTYJOXWLHW-CQSZACIVSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000376729071 379595583 /nfs/dbraw/zinc/59/55/83/379595583.db2.gz NMYQTGNYYLFYQZ-DOMZBBRYSA-N 2 2 285.391 3.226 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000376770182 379601224 /nfs/dbraw/zinc/60/12/24/379601224.db2.gz ZYMKIZUVKCBJMY-UHFFFAOYSA-N 2 2 283.419 3.287 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926848 379647753 /nfs/dbraw/zinc/64/77/53/379647753.db2.gz BWYRBAYYFARPEP-HIFRSBDPSA-N 2 2 262.397 3.147 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926848 379647761 /nfs/dbraw/zinc/64/77/61/379647761.db2.gz BWYRBAYYFARPEP-HIFRSBDPSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926848 379647767 /nfs/dbraw/zinc/64/77/67/379647767.db2.gz BWYRBAYYFARPEP-HIFRSBDPSA-N 2 2 262.397 3.147 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926848 379647773 /nfs/dbraw/zinc/64/77/73/379647773.db2.gz BWYRBAYYFARPEP-HIFRSBDPSA-N 2 2 262.397 3.147 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)no1 ZINC000377541253 379692232 /nfs/dbraw/zinc/69/22/32/379692232.db2.gz LINRJUJGKAQSHF-QGZVFWFLSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)no1 ZINC000377541253 379692237 /nfs/dbraw/zinc/69/22/37/379692237.db2.gz LINRJUJGKAQSHF-QGZVFWFLSA-N 2 2 285.391 3.456 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000377263216 379657238 /nfs/dbraw/zinc/65/72/38/379657238.db2.gz VXXZQCQAGWBTON-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000377263216 379657245 /nfs/dbraw/zinc/65/72/45/379657245.db2.gz VXXZQCQAGWBTON-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413099 379677640 /nfs/dbraw/zinc/67/76/40/379677640.db2.gz QEHMDUBSOQKCTK-BBWFWOEESA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000377413099 379677650 /nfs/dbraw/zinc/67/76/50/379677650.db2.gz QEHMDUBSOQKCTK-BBWFWOEESA-N 2 2 295.430 3.268 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347722980 218334908 /nfs/dbraw/zinc/33/49/08/218334908.db2.gz CLCRNMYXASWFPS-GOSISDBHSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000347722980 218334911 /nfs/dbraw/zinc/33/49/11/218334911.db2.gz CLCRNMYXASWFPS-GOSISDBHSA-N 2 2 299.418 3.198 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000377798297 379744734 /nfs/dbraw/zinc/74/47/34/379744734.db2.gz GUIUCRBDDDZQIB-QWRGUYRKSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000377798297 379744736 /nfs/dbraw/zinc/74/47/36/379744736.db2.gz GUIUCRBDDDZQIB-QWRGUYRKSA-N 2 2 261.394 3.069 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834060 379749084 /nfs/dbraw/zinc/74/90/84/379749084.db2.gz IRFNFQOYQSLYQO-BDJLRTHQSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834060 379749093 /nfs/dbraw/zinc/74/90/93/379749093.db2.gz IRFNFQOYQSLYQO-BDJLRTHQSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834060 379749102 /nfs/dbraw/zinc/74/91/02/379749102.db2.gz IRFNFQOYQSLYQO-BDJLRTHQSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)cc2F)C1 ZINC000377834060 379749117 /nfs/dbraw/zinc/74/91/17/379749117.db2.gz IRFNFQOYQSLYQO-BDJLRTHQSA-N 2 2 298.352 3.020 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[N@H+](C)C1CC1 ZINC000377615095 379705519 /nfs/dbraw/zinc/70/55/19/379705519.db2.gz LBIIIJXWYGVFFR-FFKNIBCLSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000377615095 379705526 /nfs/dbraw/zinc/70/55/26/379705526.db2.gz LBIIIJXWYGVFFR-FFKNIBCLSA-N 2 2 294.389 3.283 20 0 CGADLP C([C@@H]1CCC[N@@H+]1CC12CCC(CC1)C2)[NH+]1CCCC1 ZINC000347755762 218346475 /nfs/dbraw/zinc/34/64/75/218346475.db2.gz XSBHSBVTHPVNCH-CGZBRXJRSA-N 2 2 262.441 3.127 20 0 CGADLP C([C@@H]1CCC[N@H+]1CC12CCC(CC1)C2)[NH+]1CCCC1 ZINC000347755762 218346477 /nfs/dbraw/zinc/34/64/77/218346477.db2.gz XSBHSBVTHPVNCH-CGZBRXJRSA-N 2 2 262.441 3.127 20 0 CGADLP COc1cccc(CCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267428058 190330153 /nfs/dbraw/zinc/33/01/53/190330153.db2.gz LUTHOJFDFCTVIE-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP COc1cccc(CCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267428058 190330154 /nfs/dbraw/zinc/33/01/54/190330154.db2.gz LUTHOJFDFCTVIE-INIZCTEOSA-N 2 2 299.418 3.231 20 0 CGADLP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307780 379875098 /nfs/dbraw/zinc/87/50/98/379875098.db2.gz AELUFCDOTMWLDF-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP C(C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000385307780 379875107 /nfs/dbraw/zinc/87/51/07/379875107.db2.gz AELUFCDOTMWLDF-HOTGVXAUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547324 379901437 /nfs/dbraw/zinc/90/14/37/379901437.db2.gz MULGQCQJSAHBMY-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547324 379901442 /nfs/dbraw/zinc/90/14/42/379901442.db2.gz MULGQCQJSAHBMY-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000352810606 379974922 /nfs/dbraw/zinc/97/49/22/379974922.db2.gz OCGMTOCVVUKGGV-KBXCAEBGSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c[nH]c21 ZINC000352810606 379974931 /nfs/dbraw/zinc/97/49/31/379974931.db2.gz OCGMTOCVVUKGGV-KBXCAEBGSA-N 2 2 297.446 3.091 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)[C@H]1CCC[NH2+]1 ZINC000400493091 379951399 /nfs/dbraw/zinc/95/13/99/379951399.db2.gz ZWRWTXHGZKLYLP-MBNYWOFBSA-N 2 2 258.365 3.224 20 0 CGADLP CC[N@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000352823591 379982581 /nfs/dbraw/zinc/98/25/81/379982581.db2.gz ODNDOHYEFDETHG-ACCUITESSA-N 2 2 298.377 3.233 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000352823591 379982587 /nfs/dbraw/zinc/98/25/87/379982587.db2.gz ODNDOHYEFDETHG-ACCUITESSA-N 2 2 298.377 3.233 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352903648 380029362 /nfs/dbraw/zinc/02/93/62/380029362.db2.gz PXTRGNWQRUFHMX-KEYYUXOJSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352903648 380029363 /nfs/dbraw/zinc/02/93/63/380029363.db2.gz PXTRGNWQRUFHMX-KEYYUXOJSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(C(F)(F)F)CC3)n2c1 ZINC000353035646 380084843 /nfs/dbraw/zinc/08/48/43/380084843.db2.gz PFHZUBBCXRSBKX-UHFFFAOYSA-N 2 2 283.297 3.075 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H](C)C1 ZINC000347903567 218395254 /nfs/dbraw/zinc/39/52/54/218395254.db2.gz ANGZMPYJFQBHJN-QWHCGFSZSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@H](C)C1 ZINC000347903567 218395256 /nfs/dbraw/zinc/39/52/56/218395256.db2.gz ANGZMPYJFQBHJN-QWHCGFSZSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347903565 218395295 /nfs/dbraw/zinc/39/52/95/218395295.db2.gz ANGZMPYJFQBHJN-CHWSQXEVSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347903565 218395296 /nfs/dbraw/zinc/39/52/96/218395296.db2.gz ANGZMPYJFQBHJN-CHWSQXEVSA-N 2 2 281.469 3.073 20 0 CGADLP Cc1ccc2[nH+]c(CNc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000283803766 380092722 /nfs/dbraw/zinc/09/27/22/380092722.db2.gz BXDUODPLYLJMGE-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)[C@H](C)C1 ZINC000641792369 380105148 /nfs/dbraw/zinc/10/51/48/380105148.db2.gz SFHBJSPNKZDIEV-TZMCWYRMSA-N 2 2 289.448 3.116 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)[C@H](C)C1 ZINC000641792369 380105155 /nfs/dbraw/zinc/10/51/55/380105155.db2.gz SFHBJSPNKZDIEV-TZMCWYRMSA-N 2 2 289.448 3.116 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000641798290 380111354 /nfs/dbraw/zinc/11/13/54/380111354.db2.gz DYGHQBZXWZIWRT-SUYBPPKGSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000641798289 380111986 /nfs/dbraw/zinc/11/19/86/380111986.db2.gz DYGHQBZXWZIWRT-RVSPLBMKSA-N 2 2 299.418 3.126 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237661 380182675 /nfs/dbraw/zinc/18/26/75/380182675.db2.gz TXFJQKZETLQFCA-YPMHNXCESA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353237661 380182680 /nfs/dbraw/zinc/18/26/80/380182680.db2.gz TXFJQKZETLQFCA-YPMHNXCESA-N 2 2 272.383 3.027 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643066362 380211226 /nfs/dbraw/zinc/21/12/26/380211226.db2.gz NGYBNYBBTPSWLN-IUODEOHRSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1ccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643066362 380211232 /nfs/dbraw/zinc/21/12/32/380211232.db2.gz NGYBNYBBTPSWLN-IUODEOHRSA-N 2 2 296.867 3.116 20 0 CGADLP Cc1occc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000414439113 380236222 /nfs/dbraw/zinc/23/62/22/380236222.db2.gz FMFCIVAJTWEXRN-UHFFFAOYSA-N 2 2 287.407 3.477 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500955 380322121 /nfs/dbraw/zinc/32/21/21/380322121.db2.gz KGXSWOTXRGEAOO-DZGCQCFKSA-N 2 2 298.377 3.471 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501105 380322562 /nfs/dbraw/zinc/32/25/62/380322562.db2.gz USKKYBXRDPCJFO-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643501090 380322624 /nfs/dbraw/zinc/32/26/24/380322624.db2.gz SWDSIEDQAPESLE-BBRMVZONSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc2ccccc2n1 ZINC000643501682 380324714 /nfs/dbraw/zinc/32/47/14/380324714.db2.gz NZRHSRVTDNSIKY-DZGCQCFKSA-N 2 2 269.392 3.028 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643501718 380324818 /nfs/dbraw/zinc/32/48/18/380324818.db2.gz OOTMJCCBGLJZBO-IAGOWNOFSA-N 2 2 258.409 3.178 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)c2sccc21 ZINC000643507692 380330540 /nfs/dbraw/zinc/33/05/40/380330540.db2.gz MSKPSBXFTFHBIC-MFKMUULPSA-N 2 2 250.411 3.028 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)c2sccc21 ZINC000643507690 380330919 /nfs/dbraw/zinc/33/09/19/380330919.db2.gz MSKPSBXFTFHBIC-GWCFXTLKSA-N 2 2 250.411 3.028 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508876 380332072 /nfs/dbraw/zinc/33/20/72/380332072.db2.gz JYHUUHSJYZLCCC-GDBMZVCRSA-N 2 2 274.433 3.359 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](OC)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000643467413 380313206 /nfs/dbraw/zinc/31/32/06/380313206.db2.gz BENQFSIODFNXOO-HRCADAONSA-N 2 2 296.842 3.148 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000414550853 380315830 /nfs/dbraw/zinc/31/58/30/380315830.db2.gz NUYIREYGEUXEAS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000414550853 380315836 /nfs/dbraw/zinc/31/58/36/380315836.db2.gz NUYIREYGEUXEAS-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205833 380364053 /nfs/dbraw/zinc/36/40/53/380364053.db2.gz JHUDQXCOMUEEET-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205833 380364058 /nfs/dbraw/zinc/36/40/58/380364058.db2.gz JHUDQXCOMUEEET-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205833 380364061 /nfs/dbraw/zinc/36/40/61/380364061.db2.gz JHUDQXCOMUEEET-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2OC)C[C@H]1C ZINC000354205833 380364068 /nfs/dbraw/zinc/36/40/68/380364068.db2.gz JHUDQXCOMUEEET-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc2c(c1)[nH+]ccc2OCCCn1cc[nH+]c1C ZINC000354239849 380373105 /nfs/dbraw/zinc/37/31/05/380373105.db2.gz QNQPNWAHGAZHTJ-UHFFFAOYSA-N 2 2 297.358 3.217 20 0 CGADLP CCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000572081663 322318679 /nfs/dbraw/zinc/31/86/79/322318679.db2.gz WBROSBSMCWKNKE-UHFFFAOYSA-N 2 2 263.410 3.029 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414691969 380376514 /nfs/dbraw/zinc/37/65/14/380376514.db2.gz CJSZHLGKODZHQI-CHWSQXEVSA-N 2 2 283.485 3.380 20 0 CGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414691969 380376518 /nfs/dbraw/zinc/37/65/18/380376518.db2.gz CJSZHLGKODZHQI-CHWSQXEVSA-N 2 2 283.485 3.380 20 0 CGADLP CCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000572081663 322318681 /nfs/dbraw/zinc/31/86/81/322318681.db2.gz WBROSBSMCWKNKE-UHFFFAOYSA-N 2 2 263.410 3.029 20 0 CGADLP C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703249 380381419 /nfs/dbraw/zinc/38/14/19/380381419.db2.gz JKKPOYRREGFXEO-DZGCQCFKSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]1C[C@H](C[N@H+](Cc2ccccc2)CC(F)F)CC[NH2+]1 ZINC000414703249 380381428 /nfs/dbraw/zinc/38/14/28/380381428.db2.gz JKKPOYRREGFXEO-DZGCQCFKSA-N 2 2 282.378 3.142 20 0 CGADLP Cc1cnc(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)s1 ZINC000414733133 380388772 /nfs/dbraw/zinc/38/87/72/380388772.db2.gz CPORTPRSHXEBMD-CQSZACIVSA-N 2 2 281.469 3.004 20 0 CGADLP CSc1ccccc1C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414750888 380393435 /nfs/dbraw/zinc/39/34/35/380393435.db2.gz ZATKRCAXHAZWQB-CQSZACIVSA-N 2 2 266.454 3.214 20 0 CGADLP CSc1ccccc1C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414750888 380393438 /nfs/dbraw/zinc/39/34/38/380393438.db2.gz ZATKRCAXHAZWQB-CQSZACIVSA-N 2 2 266.454 3.214 20 0 CGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)c1 ZINC000643526522 380342990 /nfs/dbraw/zinc/34/29/90/380342990.db2.gz AFDZNHAXLFGIKB-MAUKXSAKSA-N 2 2 268.404 3.330 20 0 CGADLP CCc1cccc(F)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000354146819 380344569 /nfs/dbraw/zinc/34/45/69/380344569.db2.gz QFOAMLDOLBRJFX-ZDUSSCGKSA-N 2 2 275.371 3.011 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000414651968 380351596 /nfs/dbraw/zinc/35/15/96/380351596.db2.gz CKFSFNMZZHOZNV-OAHLLOKOSA-N 2 2 298.430 3.450 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000414651968 380351601 /nfs/dbraw/zinc/35/16/01/380351601.db2.gz CKFSFNMZZHOZNV-OAHLLOKOSA-N 2 2 298.430 3.450 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000414657131 380355066 /nfs/dbraw/zinc/35/50/66/380355066.db2.gz JROZMEVDQJVQNF-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000414657131 380355071 /nfs/dbraw/zinc/35/50/71/380355071.db2.gz JROZMEVDQJVQNF-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCS2 ZINC000643538203 380355448 /nfs/dbraw/zinc/35/54/48/380355448.db2.gz BAENXTNSFYFABR-KCQAQPDRSA-N 2 2 294.439 3.130 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538011 380355521 /nfs/dbraw/zinc/35/55/21/380355521.db2.gz WMVIWVBTVNTGAB-KBMXLJTQSA-N 2 2 294.414 3.072 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c[nH+]1 ZINC000354454232 380444713 /nfs/dbraw/zinc/44/47/13/380444713.db2.gz BOOGVMSZJCZJRC-ROUUACIJSA-N 2 2 290.451 3.363 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1 ZINC000414839348 380446176 /nfs/dbraw/zinc/44/61/76/380446176.db2.gz WCABTMKGWJANBD-HNNXBMFYSA-N 2 2 292.329 3.078 20 0 CGADLP Cc1ncccc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414845991 380449804 /nfs/dbraw/zinc/44/98/04/380449804.db2.gz MRVGHOJQBSFEAX-GOSISDBHSA-N 2 2 283.419 3.303 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@]2(C)CCCS2)c[nH+]1 ZINC000354472041 380451987 /nfs/dbraw/zinc/45/19/87/380451987.db2.gz WWOIBXHYONYXHM-HNNXBMFYSA-N 2 2 264.438 3.198 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@H]2CCSC2)cc1 ZINC000414848024 380452309 /nfs/dbraw/zinc/45/23/09/380452309.db2.gz PITBTDNOBPTFAY-CJNGLKHVSA-N 2 2 278.465 3.153 20 0 CGADLP CC(C)c1ncc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414851531 380454009 /nfs/dbraw/zinc/45/40/09/380454009.db2.gz PDJALOJPYIACPH-AWEZNQCLSA-N 2 2 281.469 3.264 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000414774633 380398527 /nfs/dbraw/zinc/39/85/27/380398527.db2.gz YQRRHLCCOPUUGG-OCCSQVGLSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])cc2c1 ZINC000414774633 380398535 /nfs/dbraw/zinc/39/85/35/380398535.db2.gz YQRRHLCCOPUUGG-OCCSQVGLSA-N 2 2 288.391 3.001 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414807418 380421039 /nfs/dbraw/zinc/42/10/39/380421039.db2.gz CTNUYRRBPOPARU-NSHDSACASA-N 2 2 258.768 3.086 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414921952 380489271 /nfs/dbraw/zinc/48/92/71/380489271.db2.gz FKYNLKSUJCOWOJ-ZANVPECISA-N 2 2 273.207 3.081 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@H]3[NH2+]CCCC3(C)C)ccc2n1 ZINC000414921905 380489822 /nfs/dbraw/zinc/48/98/22/380489822.db2.gz CARNCYJQKPRPHG-GOSISDBHSA-N 2 2 297.446 3.411 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000414927957 380492084 /nfs/dbraw/zinc/49/20/84/380492084.db2.gz MVIPHWWQYWHWHT-ZDUSSCGKSA-N 2 2 295.496 3.308 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]1 ZINC000414944214 380500843 /nfs/dbraw/zinc/50/08/43/380500843.db2.gz GIIXBCDRMXGVDZ-SCZZXKLOSA-N 2 2 291.197 3.363 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414959574 380502174 /nfs/dbraw/zinc/50/21/74/380502174.db2.gz SPNXXOLYXYASJK-FRFSOERESA-N 2 2 258.409 3.042 20 0 CGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861415 380461420 /nfs/dbraw/zinc/46/14/20/380461420.db2.gz FJCPMRNMJZMFJM-MNOVXSKESA-N 2 2 287.234 3.266 20 0 CGADLP Cc1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2)cc1 ZINC000414889694 380475776 /nfs/dbraw/zinc/47/57/76/380475776.db2.gz UBTAJMKAVGZIFP-SFHVURJKSA-N 2 2 296.414 3.026 20 0 CGADLP Clc1ccccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414887059 380476451 /nfs/dbraw/zinc/47/64/51/380476451.db2.gz WPNAIMWYLLOOFJ-UHFFFAOYSA-N 2 2 289.810 3.005 20 0 CGADLP Clc1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414901501 380481654 /nfs/dbraw/zinc/48/16/54/380481654.db2.gz GNAKHRJECMXAMY-GFCCVEGCSA-N 2 2 273.207 3.225 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000644894103 380540711 /nfs/dbraw/zinc/54/07/11/380540711.db2.gz XMGVFTAFBDBWQL-ZQDZILKHSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000644894103 380540720 /nfs/dbraw/zinc/54/07/20/380540720.db2.gz XMGVFTAFBDBWQL-ZQDZILKHSA-N 2 2 250.430 3.170 20 0 CGADLP c1[nH+]c2ccccn2c1CNc1cccc(C2CC2)[nH+]1 ZINC000645185893 380608989 /nfs/dbraw/zinc/60/89/89/380608989.db2.gz BMNJSSADTQXOAM-UHFFFAOYSA-N 2 2 264.332 3.219 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417365973 380611670 /nfs/dbraw/zinc/61/16/70/380611670.db2.gz OFZHZVRVCLKTQX-UKRRQHHQSA-N 2 2 267.376 3.323 20 0 CGADLP Clc1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000645382762 380665136 /nfs/dbraw/zinc/66/51/36/380665136.db2.gz AHNBNUXRKRCFGC-QGZVFWFLSA-N 2 2 292.854 3.347 20 0 CGADLP Cc1cc[nH+]c(NCCc2cn3c(cccc3C)[nH+]2)c1 ZINC000645420174 380676632 /nfs/dbraw/zinc/67/66/32/380676632.db2.gz JPPUGMDVRLHEDP-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP Cc1cnc(CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837172 380747625 /nfs/dbraw/zinc/74/76/25/380747625.db2.gz JCLHFJXFKOYZJK-MAUKXSAKSA-N 2 2 298.434 3.021 20 0 CGADLP Cc1cnc(CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000645837172 380747632 /nfs/dbraw/zinc/74/76/32/380747632.db2.gz JCLHFJXFKOYZJK-MAUKXSAKSA-N 2 2 298.434 3.021 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646052321 380814103 /nfs/dbraw/zinc/81/41/03/380814103.db2.gz LHFCVSKPYMSUQD-GOEBONIOSA-N 2 2 275.440 3.111 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000646052321 380814106 /nfs/dbraw/zinc/81/41/06/380814106.db2.gz LHFCVSKPYMSUQD-GOEBONIOSA-N 2 2 275.440 3.111 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000356863718 380908279 /nfs/dbraw/zinc/90/82/79/380908279.db2.gz BRCJNVHJSYXRDU-CQSZACIVSA-N 2 2 287.451 3.169 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000356870667 380911357 /nfs/dbraw/zinc/91/13/57/380911357.db2.gz OHWSLXWXVMYHRU-OAHLLOKOSA-N 2 2 275.440 3.171 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000357431084 381155606 /nfs/dbraw/zinc/15/56/06/381155606.db2.gz AGLUOQKSVDCUBM-SUMWQHHRSA-N 2 2 290.476 3.122 20 0 CGADLP CSCc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000357431084 381155612 /nfs/dbraw/zinc/15/56/12/381155612.db2.gz AGLUOQKSVDCUBM-SUMWQHHRSA-N 2 2 290.476 3.122 20 0 CGADLP Cc1cc(N(C)Cc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000357682709 381247924 /nfs/dbraw/zinc/24/79/24/381247924.db2.gz LIISDNVNFAWXGS-UHFFFAOYSA-N 2 2 292.386 3.271 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cnccc1C)CCC2 ZINC000357796017 381283038 /nfs/dbraw/zinc/28/30/38/381283038.db2.gz OXXNUMDQAOXWEY-GJZGRUSLSA-N 2 2 284.407 3.123 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359635679 381357511 /nfs/dbraw/zinc/35/75/11/381357511.db2.gz PJXHFTGOHBNDOS-NQBHXWOUSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359635679 381357517 /nfs/dbraw/zinc/35/75/17/381357517.db2.gz PJXHFTGOHBNDOS-NQBHXWOUSA-N 2 2 278.362 3.180 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000360483951 381558222 /nfs/dbraw/zinc/55/82/22/381558222.db2.gz OQVZKYLALFZMHB-CQSZACIVSA-N 2 2 289.423 3.146 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000360866034 381631030 /nfs/dbraw/zinc/63/10/30/381631030.db2.gz VWPUIIPDESMKAN-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000360866034 381631034 /nfs/dbraw/zinc/63/10/34/381631034.db2.gz VWPUIIPDESMKAN-AWEZNQCLSA-N 2 2 252.446 3.277 20 0 CGADLP COC1(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561436 381806763 /nfs/dbraw/zinc/80/67/63/381806763.db2.gz FGXRBZXWEYNIMD-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561436 381806766 /nfs/dbraw/zinc/80/67/66/381806766.db2.gz FGXRBZXWEYNIMD-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[NH+]2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561436 381806769 /nfs/dbraw/zinc/80/67/69/381806769.db2.gz FGXRBZXWEYNIMD-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[NH+]2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000361561436 381806773 /nfs/dbraw/zinc/80/67/73/381806773.db2.gz FGXRBZXWEYNIMD-BBWFWOEESA-N 2 2 294.483 3.283 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947314 207338758 /nfs/dbraw/zinc/33/87/58/207338758.db2.gz XLJZKUXLIWQVAK-UONOGXRCSA-N 2 2 261.413 3.197 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947314 207338761 /nfs/dbraw/zinc/33/87/61/207338761.db2.gz XLJZKUXLIWQVAK-UONOGXRCSA-N 2 2 261.413 3.197 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@@H+]1C1CC1 ZINC000362913672 382144915 /nfs/dbraw/zinc/14/49/15/382144915.db2.gz OCBAKMGPSFKEAS-ABAIWWIYSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@H+]1C1CC1 ZINC000362913672 382144920 /nfs/dbraw/zinc/14/49/20/382144920.db2.gz OCBAKMGPSFKEAS-ABAIWWIYSA-N 2 2 287.382 3.022 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000235223251 542310799 /nfs/dbraw/zinc/31/07/99/542310799.db2.gz GJWOYHRNZOBUDO-YPMHNXCESA-N 2 2 252.427 3.158 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC13CCCC3)CCCC2 ZINC000367439710 382347788 /nfs/dbraw/zinc/34/77/88/382347788.db2.gz WKWHZGJYVDWXER-CQSZACIVSA-N 2 2 259.397 3.032 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@H](C)CC1 ZINC000289507236 197381848 /nfs/dbraw/zinc/38/18/48/197381848.db2.gz CVSLNEIMNCGXJZ-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCS[C@H](C)CC1 ZINC000289507236 197381849 /nfs/dbraw/zinc/38/18/49/197381849.db2.gz CVSLNEIMNCGXJZ-CQSZACIVSA-N 2 2 264.438 3.150 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423436713 532973913 /nfs/dbraw/zinc/97/39/13/532973913.db2.gz FRVMHVJREUEDLP-BBBLOLIVSA-N 2 2 266.772 3.473 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423447020 532993941 /nfs/dbraw/zinc/99/39/41/532993941.db2.gz OODHLNQOGFSNPU-AGIUHOORSA-N 2 2 258.365 3.333 20 0 CGADLP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000280850465 195000578 /nfs/dbraw/zinc/00/05/78/195000578.db2.gz BMGGJFCYSGWOOL-RHSMWYFYSA-N 2 2 299.418 3.074 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000423317259 533028243 /nfs/dbraw/zinc/02/82/43/533028243.db2.gz AORFCFDEEWNCSY-INIZCTEOSA-N 2 2 296.430 3.129 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747223 220299187 /nfs/dbraw/zinc/29/91/87/220299187.db2.gz FGAOWJWHVZQDEI-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747223 220299192 /nfs/dbraw/zinc/29/91/92/220299192.db2.gz FGAOWJWHVZQDEI-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747223 220299196 /nfs/dbraw/zinc/29/91/96/220299196.db2.gz FGAOWJWHVZQDEI-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)C[C@H]1C ZINC000353747223 220299203 /nfs/dbraw/zinc/29/92/03/220299203.db2.gz FGAOWJWHVZQDEI-IUODEOHRSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756965 220309274 /nfs/dbraw/zinc/30/92/74/220309274.db2.gz XHBOGLSQEMAWTM-DZGCQCFKSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756965 220309277 /nfs/dbraw/zinc/30/92/77/220309277.db2.gz XHBOGLSQEMAWTM-DZGCQCFKSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756965 220309279 /nfs/dbraw/zinc/30/92/79/220309279.db2.gz XHBOGLSQEMAWTM-DZGCQCFKSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)C)s2)[C@@H](C)C1 ZINC000353756965 220309283 /nfs/dbraw/zinc/30/92/83/220309283.db2.gz XHBOGLSQEMAWTM-DZGCQCFKSA-N 2 2 295.496 3.429 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000289360812 197311942 /nfs/dbraw/zinc/31/19/42/197311942.db2.gz ZEFOHWPLSNXXOX-BBRMVZONSA-N 2 2 255.365 3.111 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000350473902 219027382 /nfs/dbraw/zinc/02/73/82/219027382.db2.gz GMHHRAKDUHHMIM-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CC4CCC3CC4)c[nH+]c12 ZINC000353805968 220342851 /nfs/dbraw/zinc/34/28/51/220342851.db2.gz PAKLTDMSJGBDNR-XUJLQICISA-N 2 2 269.392 3.311 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000281204605 195148590 /nfs/dbraw/zinc/14/85/90/195148590.db2.gz KLDJRHAUFVKGHK-SJORKVTESA-N 2 2 287.451 3.102 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181983942 285268898 /nfs/dbraw/zinc/26/88/98/285268898.db2.gz QFUJTHWGPFTZBL-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181983942 285268900 /nfs/dbraw/zinc/26/89/00/285268900.db2.gz QFUJTHWGPFTZBL-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336723338 542479137 /nfs/dbraw/zinc/47/91/37/542479137.db2.gz WBOWBQSHZPISRC-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336723338 542479139 /nfs/dbraw/zinc/47/91/39/542479139.db2.gz WBOWBQSHZPISRC-APWZRJJASA-N 2 2 295.430 3.143 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000339073723 542486152 /nfs/dbraw/zinc/48/61/52/542486152.db2.gz DTGTYAXJSBQYJF-CABCVRRESA-N 2 2 291.439 3.295 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000339073723 542486154 /nfs/dbraw/zinc/48/61/54/542486154.db2.gz DTGTYAXJSBQYJF-CABCVRRESA-N 2 2 291.439 3.295 20 0 CGADLP C[C@H](CC[N@H+](C)Cc1ccco1)[NH+](C)Cc1ccco1 ZINC000348276600 542517832 /nfs/dbraw/zinc/51/78/32/542517832.db2.gz PGMOZTSYJHMALZ-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](CC[N@@H+](C)Cc1ccco1)[NH+](C)Cc1ccco1 ZINC000348276600 542517837 /nfs/dbraw/zinc/51/78/37/542517837.db2.gz PGMOZTSYJHMALZ-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](CC[NH+](C)Cc1ccco1)[N@H+](C)Cc1ccco1 ZINC000348276600 542517843 /nfs/dbraw/zinc/51/78/43/542517843.db2.gz PGMOZTSYJHMALZ-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](CC[NH+](C)Cc1ccco1)[N@@H+](C)Cc1ccco1 ZINC000348276600 542517847 /nfs/dbraw/zinc/51/78/47/542517847.db2.gz PGMOZTSYJHMALZ-CQSZACIVSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000188235395 262286605 /nfs/dbraw/zinc/28/66/05/262286605.db2.gz XWMVJTNGFFJXFR-CYBMUJFWSA-N 2 2 266.816 3.129 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000349634428 542525870 /nfs/dbraw/zinc/52/58/70/542525870.db2.gz VQHOQCFSHXVUFW-CRAIPNDOSA-N 2 2 283.419 3.171 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348421157 542520146 /nfs/dbraw/zinc/52/01/46/542520146.db2.gz UOQGQGUPULODNE-ZMYBRWDISA-N 2 2 299.462 3.385 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423239255 533289371 /nfs/dbraw/zinc/28/93/71/533289371.db2.gz JQWCEHNJZAJKRB-MOPGFXCFSA-N 2 2 296.414 3.362 20 0 CGADLP C(=C/c1ccncc1)\C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000495077046 533354059 /nfs/dbraw/zinc/35/40/59/533354059.db2.gz CONQKTDGGBHFNE-SNAWJCMRSA-N 2 2 285.435 3.045 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-c2ccccc2)o1 ZINC000423333490 533360450 /nfs/dbraw/zinc/36/04/50/533360450.db2.gz RUOVVNZUYXYBTG-CYBMUJFWSA-N 2 2 270.376 3.479 20 0 CGADLP C[C@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190485159 130110764 /nfs/dbraw/zinc/11/07/64/130110764.db2.gz DKFZGEDFRLGXEH-CQSZACIVSA-N 2 2 287.432 3.057 20 0 CGADLP C[C@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190485159 130110767 /nfs/dbraw/zinc/11/07/67/130110767.db2.gz DKFZGEDFRLGXEH-CQSZACIVSA-N 2 2 287.432 3.057 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCS[C@@H]2C)n1-c1ccccc1 ZINC000381140858 542596935 /nfs/dbraw/zinc/59/69/35/542596935.db2.gz JRAGOXRJNDSKCR-MLGOLLRUSA-N 2 2 287.432 3.164 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCS[C@@H]2C)n1-c1ccccc1 ZINC000381140859 542597177 /nfs/dbraw/zinc/59/71/77/542597177.db2.gz JRAGOXRJNDSKCR-WBMJQRKESA-N 2 2 287.432 3.164 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389327785 542608190 /nfs/dbraw/zinc/60/81/90/542608190.db2.gz HFPFNUWWHIBHJO-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389327785 542608195 /nfs/dbraw/zinc/60/81/95/542608195.db2.gz HFPFNUWWHIBHJO-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485535 542608696 /nfs/dbraw/zinc/60/86/96/542608696.db2.gz YKXLYCLMKCDSGQ-RDJZCZTQSA-N 2 2 290.451 3.090 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485535 542608698 /nfs/dbraw/zinc/60/86/98/542608698.db2.gz YKXLYCLMKCDSGQ-RDJZCZTQSA-N 2 2 290.451 3.090 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054467791 392092128 /nfs/dbraw/zinc/09/21/28/392092128.db2.gz OTVXQMCHJSOTBB-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054467791 392092132 /nfs/dbraw/zinc/09/21/32/392092132.db2.gz OTVXQMCHJSOTBB-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2sccc21 ZINC000061327993 392126770 /nfs/dbraw/zinc/12/67/70/392126770.db2.gz GJULPZCWPDEHOF-YPMHNXCESA-N 2 2 261.394 3.000 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000070092036 392177314 /nfs/dbraw/zinc/17/73/14/392177314.db2.gz CLGABDGNDNQRHH-ZDUSSCGKSA-N 2 2 263.410 3.384 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000361749494 392311982 /nfs/dbraw/zinc/31/19/82/392311982.db2.gz KCJHKUOEAJTWEJ-BHYGNILZSA-N 2 2 290.451 3.322 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000361749494 392311985 /nfs/dbraw/zinc/31/19/85/392311985.db2.gz KCJHKUOEAJTWEJ-BHYGNILZSA-N 2 2 290.451 3.322 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000361763199 392317375 /nfs/dbraw/zinc/31/73/75/392317375.db2.gz DIYJHJMUVLOYHH-NVXWUHKLSA-N 2 2 299.418 3.085 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)oc1C ZINC000282067784 392278922 /nfs/dbraw/zinc/27/89/22/392278922.db2.gz GZWQTCHZZSIQGZ-ZDUSSCGKSA-N 2 2 258.365 3.493 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCC34CCC4)[nH]c2c1 ZINC000282074695 392280377 /nfs/dbraw/zinc/28/03/77/392280377.db2.gz HFZDKSNRAXUKCU-OAHLLOKOSA-N 2 2 269.392 3.418 20 0 CGADLP CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361834557 392337710 /nfs/dbraw/zinc/33/77/10/392337710.db2.gz UYMINHXNLLJOIJ-HNNXBMFYSA-N 2 2 269.392 3.413 20 0 CGADLP CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361834557 392337713 /nfs/dbraw/zinc/33/77/13/392337713.db2.gz UYMINHXNLLJOIJ-HNNXBMFYSA-N 2 2 269.392 3.413 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCSc2ccccc2F)CC1 ZINC000108370926 392341834 /nfs/dbraw/zinc/34/18/34/392341834.db2.gz RAWXFRSDBNDJMX-UHFFFAOYSA-N 2 2 296.455 3.380 20 0 CGADLP Cc1cccc(CCCNc2cc[nH+]cc2Cl)[nH+]1 ZINC000286675661 392385735 /nfs/dbraw/zinc/38/57/35/392385735.db2.gz WLFVEJATCYPIQY-UHFFFAOYSA-N 2 2 261.756 3.483 20 0 CGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361967072 392376433 /nfs/dbraw/zinc/37/64/33/392376433.db2.gz PSXPDSVFTVCBTQ-HZPDHXFCSA-N 2 2 278.465 3.165 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000289326905 392420252 /nfs/dbraw/zinc/42/02/52/392420252.db2.gz UISQOLPEXVWEFS-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000289326905 392420255 /nfs/dbraw/zinc/42/02/55/392420255.db2.gz UISQOLPEXVWEFS-WBVHZDCISA-N 3 2 289.467 3.033 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccsc2S1 ZINC000130206040 392453796 /nfs/dbraw/zinc/45/37/96/392453796.db2.gz SBKBPXSZPRKRIC-CMPLNLGQSA-N 2 2 279.434 3.160 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000295140085 392543816 /nfs/dbraw/zinc/54/38/16/392543816.db2.gz ZMIHSSOVDGSOCM-VMUDFCTBSA-N 2 2 286.419 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000295140085 392543819 /nfs/dbraw/zinc/54/38/19/392543819.db2.gz ZMIHSSOVDGSOCM-VMUDFCTBSA-N 2 2 286.419 3.114 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000368262595 392488305 /nfs/dbraw/zinc/48/83/05/392488305.db2.gz ZEVLILNTNTUCRR-IKGGRYGDSA-N 2 2 267.376 3.076 20 0 CGADLP c1cn([C@@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000368262595 392488312 /nfs/dbraw/zinc/48/83/12/392488312.db2.gz ZEVLILNTNTUCRR-IKGGRYGDSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)c(C)c1 ZINC000297834662 392571486 /nfs/dbraw/zinc/57/14/86/392571486.db2.gz ZZGWYIDFFWNORU-INIZCTEOSA-N 2 2 283.419 3.069 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)c(C)c1 ZINC000297834662 392571488 /nfs/dbraw/zinc/57/14/88/392571488.db2.gz ZZGWYIDFFWNORU-INIZCTEOSA-N 2 2 283.419 3.069 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000163376903 392604062 /nfs/dbraw/zinc/60/40/62/392604062.db2.gz FYXBAZCGSAQRAD-XJKSGUPXSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000163376903 392604067 /nfs/dbraw/zinc/60/40/67/392604067.db2.gz FYXBAZCGSAQRAD-XJKSGUPXSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000167886362 392609557 /nfs/dbraw/zinc/60/95/57/392609557.db2.gz INCBNOQCTYJDMP-WMLDXEAASA-N 2 2 290.451 3.130 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280884 392634014 /nfs/dbraw/zinc/63/40/14/392634014.db2.gz JXMPOMNAWBNIRO-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000647280884 392634017 /nfs/dbraw/zinc/63/40/17/392634017.db2.gz JXMPOMNAWBNIRO-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1Cl ZINC000647554124 392767255 /nfs/dbraw/zinc/76/72/55/392767255.db2.gz RMDASICOXIOLRP-AWEZNQCLSA-N 2 2 282.790 3.243 20 0 CGADLP CCOc1c(Cl)cccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530774 392751903 /nfs/dbraw/zinc/75/19/03/392751903.db2.gz FBAIHCUMPWAZNE-UHFFFAOYSA-N 2 2 282.815 3.052 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000647549408 392762120 /nfs/dbraw/zinc/76/21/20/392762120.db2.gz YGOTVYOIEFCKDC-VNHYZAJKSA-N 2 2 278.465 3.447 20 0 CGADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000647549275 392762660 /nfs/dbraw/zinc/76/26/60/392762660.db2.gz QFTIKAZFPLRTIX-GOEBONIOSA-N 2 2 288.435 3.096 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187840485 392793688 /nfs/dbraw/zinc/79/36/88/392793688.db2.gz IRZMHFAJMRLMAZ-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187840485 392793695 /nfs/dbraw/zinc/79/36/95/392793695.db2.gz IRZMHFAJMRLMAZ-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP c1c(C[N@H+](C2CC2)C2CC[NH2+]CC2)noc1-c1ccccc1 ZINC000647814740 392808593 /nfs/dbraw/zinc/80/85/93/392808593.db2.gz CNJOLFMLRWYHDT-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)noc1-c1ccccc1 ZINC000647814740 392808601 /nfs/dbraw/zinc/80/86/01/392808601.db2.gz CNJOLFMLRWYHDT-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)Cc2ccccc2C1 ZINC000510713893 392811666 /nfs/dbraw/zinc/81/16/66/392811666.db2.gz AEXQWNVECAKBQA-OALUTQOASA-N 2 2 298.474 3.254 20 0 CGADLP Fc1cccc(F)c1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884517 392824600 /nfs/dbraw/zinc/82/46/00/392824600.db2.gz YSHBCJHGOCCUGH-CYBMUJFWSA-N 2 2 294.389 3.319 20 0 CGADLP Fc1cccc(F)c1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647884517 392824606 /nfs/dbraw/zinc/82/46/06/392824606.db2.gz YSHBCJHGOCCUGH-CYBMUJFWSA-N 2 2 294.389 3.319 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000378010121 392892366 /nfs/dbraw/zinc/89/23/66/392892366.db2.gz SULCBTBVXKNYMV-GDBMZVCRSA-N 2 2 299.418 3.428 20 0 CGADLP CCC(C)(C)CC[N@@H+]1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512221558 392850186 /nfs/dbraw/zinc/85/01/86/392850186.db2.gz ZBGLZOFGDPNIQF-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512221558 392850193 /nfs/dbraw/zinc/85/01/93/392850193.db2.gz ZBGLZOFGDPNIQF-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(Cl)c1 ZINC000336452625 392857910 /nfs/dbraw/zinc/85/79/10/392857910.db2.gz JEYPNUQDCSARFH-WCBMZHEXSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1csc(Cl)c1 ZINC000336452625 392857912 /nfs/dbraw/zinc/85/79/12/392857912.db2.gz JEYPNUQDCSARFH-WCBMZHEXSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000337267902 392878429 /nfs/dbraw/zinc/87/84/29/392878429.db2.gz WXOJHAZGIGFZAG-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000337267902 392878436 /nfs/dbraw/zinc/87/84/36/392878436.db2.gz WXOJHAZGIGFZAG-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+]1CCCC[C@H]1C ZINC000337388643 392882369 /nfs/dbraw/zinc/88/23/69/392882369.db2.gz JKZDANZZUOGCQZ-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+]1CCCC[C@H]1C ZINC000337388643 392882377 /nfs/dbraw/zinc/88/23/77/392882377.db2.gz JKZDANZZUOGCQZ-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C[N@@H+]1C1CC1 ZINC000390541272 392926382 /nfs/dbraw/zinc/92/63/82/392926382.db2.gz HIQLXZRROSMSSP-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C[N@H+]1C1CC1 ZINC000390541272 392926387 /nfs/dbraw/zinc/92/63/87/392926387.db2.gz HIQLXZRROSMSSP-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000390520011 392926405 /nfs/dbraw/zinc/92/64/05/392926405.db2.gz GFZNESDJUKILLM-DLTWYDFYSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000390520011 392926414 /nfs/dbraw/zinc/92/64/14/392926414.db2.gz GFZNESDJUKILLM-DLTWYDFYSA-N 2 2 260.425 3.141 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000194866146 392943851 /nfs/dbraw/zinc/94/38/51/392943851.db2.gz LYBKFQQYDWMGDT-CHWSQXEVSA-N 2 2 264.438 3.153 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000194866146 392943854 /nfs/dbraw/zinc/94/38/54/392943854.db2.gz LYBKFQQYDWMGDT-CHWSQXEVSA-N 2 2 264.438 3.153 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000513761754 542732855 /nfs/dbraw/zinc/73/28/55/542732855.db2.gz OFWZDBAENWSNIK-BBWFWOEESA-N 2 2 260.425 3.314 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000514086978 542733748 /nfs/dbraw/zinc/73/37/48/542733748.db2.gz DXWWTCKNRVOYNB-MSOLQXFVSA-N 2 2 297.446 3.498 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000462673019 392968410 /nfs/dbraw/zinc/96/84/10/392968410.db2.gz HFLKQIIPSMIDBH-WCVJEAGWSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000462673019 392968419 /nfs/dbraw/zinc/96/84/19/392968419.db2.gz HFLKQIIPSMIDBH-WCVJEAGWSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463242004 392971606 /nfs/dbraw/zinc/97/16/06/392971606.db2.gz FLFAULPNPFEHSJ-CHWSQXEVSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000546077853 393030110 /nfs/dbraw/zinc/03/01/10/393030110.db2.gz SIBWFMDNIXZMQJ-SWLSCSKDSA-N 2 2 285.391 3.154 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760821 392992512 /nfs/dbraw/zinc/99/25/12/392992512.db2.gz MNWIEIPKYSOLJQ-UKRRQHHQSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760821 392992518 /nfs/dbraw/zinc/99/25/18/392992518.db2.gz MNWIEIPKYSOLJQ-UKRRQHHQSA-N 2 2 294.826 3.238 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000342722312 393004421 /nfs/dbraw/zinc/00/44/21/393004421.db2.gz GYIXALYDWQGTBU-ZOWXZIJZSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000342722312 393004428 /nfs/dbraw/zinc/00/44/28/393004428.db2.gz GYIXALYDWQGTBU-ZOWXZIJZSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000648432458 393014546 /nfs/dbraw/zinc/01/45/46/393014546.db2.gz LJWZCXOHGBSSBY-DZGCQCFKSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000648432458 393014551 /nfs/dbraw/zinc/01/45/51/393014551.db2.gz LJWZCXOHGBSSBY-DZGCQCFKSA-N 2 2 272.392 3.048 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000648437502 393016164 /nfs/dbraw/zinc/01/61/64/393016164.db2.gz YCNMXDZNWHBGSR-ZIAGYGMSSA-N 2 2 287.407 3.043 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000346707500 393092538 /nfs/dbraw/zinc/09/25/38/393092538.db2.gz OWVNSWQKZHATQA-QRTARXTBSA-N 2 2 282.472 3.043 20 0 CGADLP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000346707500 393092544 /nfs/dbraw/zinc/09/25/44/393092544.db2.gz OWVNSWQKZHATQA-QRTARXTBSA-N 2 2 282.472 3.043 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(C)cc1 ZINC000415043658 393109491 /nfs/dbraw/zinc/10/94/91/393109491.db2.gz AUNJCXGZHMIUGU-GOSISDBHSA-N 2 2 268.404 3.347 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@H]1CC1(C)C ZINC000414092198 393039664 /nfs/dbraw/zinc/03/96/64/393039664.db2.gz FEBZUBUGBJNRKD-ZNMIVQPWSA-N 2 2 275.440 3.483 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c2ccccc12 ZINC000414953749 393060101 /nfs/dbraw/zinc/06/01/01/393060101.db2.gz MBCONGOTFLGHMK-CXAGYDPISA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000247039643 393070233 /nfs/dbraw/zinc/07/02/33/393070233.db2.gz MQTAEDHYGYUYOI-NVXWUHKLSA-N 2 2 289.467 3.318 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000247039643 393070238 /nfs/dbraw/zinc/07/02/38/393070238.db2.gz MQTAEDHYGYUYOI-NVXWUHKLSA-N 2 2 289.467 3.318 20 0 CGADLP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415059473 393119830 /nfs/dbraw/zinc/11/98/30/393119830.db2.gz WYWZYVHANVZOBS-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000415059473 393119835 /nfs/dbraw/zinc/11/98/35/393119835.db2.gz WYWZYVHANVZOBS-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415070388 393128580 /nfs/dbraw/zinc/12/85/80/393128580.db2.gz UVZWQDFVCTYVAK-GOSISDBHSA-N 2 2 298.430 3.437 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415081666 393134559 /nfs/dbraw/zinc/13/45/59/393134559.db2.gz NCGCLYWZQCNXLK-NEPJUHHUSA-N 2 2 281.469 3.091 20 0 CGADLP c1ccc(-c2cccc(CC[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC000415085037 393138828 /nfs/dbraw/zinc/13/88/28/393138828.db2.gz HQLIEQBMCVAKLD-IBGZPJMESA-N 2 2 280.415 3.238 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157885 393181937 /nfs/dbraw/zinc/18/19/37/393181937.db2.gz MQELZWVFNQKNHG-NUJGCVRESA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157885 393181944 /nfs/dbraw/zinc/18/19/44/393181944.db2.gz MQELZWVFNQKNHG-NUJGCVRESA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccc(F)cc1F ZINC000415113938 393149055 /nfs/dbraw/zinc/14/90/55/393149055.db2.gz SYRDFPMBOHENFC-NSHDSACASA-N 2 2 270.367 3.046 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccn1 ZINC000415114747 393149212 /nfs/dbraw/zinc/14/92/12/393149212.db2.gz TZYKLPCOOFMNCN-QILLFSRXSA-N 2 2 281.403 3.226 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000415116470 393149559 /nfs/dbraw/zinc/14/95/59/393149559.db2.gz BIDXTMUPBWBWDQ-UHFFFAOYSA-N 2 2 296.842 3.170 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000415116470 393149568 /nfs/dbraw/zinc/14/95/68/393149568.db2.gz BIDXTMUPBWBWDQ-UHFFFAOYSA-N 2 2 296.842 3.170 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640044 393228004 /nfs/dbraw/zinc/22/80/04/393228004.db2.gz FZIFFNBUARXJMH-AAVRWANBSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640044 393228010 /nfs/dbraw/zinc/22/80/10/393228010.db2.gz FZIFFNBUARXJMH-AAVRWANBSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353624403 393228401 /nfs/dbraw/zinc/22/84/01/393228401.db2.gz QGENHTCUHIHTRC-HSMVNMDESA-N 2 2 267.376 3.105 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353624403 393228403 /nfs/dbraw/zinc/22/84/03/393228403.db2.gz QGENHTCUHIHTRC-HSMVNMDESA-N 2 2 267.376 3.105 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000353910960 393235517 /nfs/dbraw/zinc/23/55/17/393235517.db2.gz FMGGOPZNXOFYLO-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000353910960 393235519 /nfs/dbraw/zinc/23/55/19/393235519.db2.gz FMGGOPZNXOFYLO-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471600717 393287589 /nfs/dbraw/zinc/28/75/89/393287589.db2.gz DLHQCXDGCYSBJN-NXHRZFHOSA-N 2 2 292.467 3.473 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278308684 393317822 /nfs/dbraw/zinc/31/78/22/393317822.db2.gz DFCLYUZDBHEZPC-UHFFFAOYSA-N 2 2 293.436 3.223 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278308684 393317827 /nfs/dbraw/zinc/31/78/27/393317827.db2.gz DFCLYUZDBHEZPC-UHFFFAOYSA-N 2 2 293.436 3.223 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474799224 393348473 /nfs/dbraw/zinc/34/84/73/393348473.db2.gz OBACSMCIKPNQAT-HOTGVXAUSA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474799224 393348474 /nfs/dbraw/zinc/34/84/74/393348474.db2.gz OBACSMCIKPNQAT-HOTGVXAUSA-N 2 2 284.488 3.149 20 0 CGADLP CC[C@H]1C[N@H+](Cc2csc(CCC(C)C)n2)CC[C@@H]1[NH3+] ZINC000649416640 393416760 /nfs/dbraw/zinc/41/67/60/393416760.db2.gz HBFJJUGROZNJOV-ZFWWWQNUSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2csc(CCC(C)C)n2)CC[C@@H]1[NH3+] ZINC000649416640 393416763 /nfs/dbraw/zinc/41/67/63/393416763.db2.gz HBFJJUGROZNJOV-ZFWWWQNUSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@H]1[NH3+] ZINC000649416889 393417183 /nfs/dbraw/zinc/41/71/83/393417183.db2.gz OXMRAMIBGDECCX-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)CC[C@H]1[NH3+] ZINC000649416889 393417187 /nfs/dbraw/zinc/41/71/87/393417187.db2.gz OXMRAMIBGDECCX-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP c1[nH]cc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)[nH+]1 ZINC000649425997 393421800 /nfs/dbraw/zinc/42/18/00/393421800.db2.gz MZKHFXCAHKUZEQ-UHFFFAOYSA-N 2 2 285.391 3.332 20 0 CGADLP c1ccc(COc2ccc[nH+]c2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000420239540 393441687 /nfs/dbraw/zinc/44/16/87/393441687.db2.gz PLNIIBDAOCCNIM-MRXNPFEDSA-N 2 2 297.402 3.215 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420271490 393447319 /nfs/dbraw/zinc/44/73/19/393447319.db2.gz KOINIQURFTVRHZ-GXTWGEPZSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420271490 393447323 /nfs/dbraw/zinc/44/73/23/393447323.db2.gz KOINIQURFTVRHZ-GXTWGEPZSA-N 2 2 264.438 3.110 20 0 CGADLP Cc1ccc2c(C)cc(N(C)Cc3[nH]cc[nH+]3)[nH+]c2c1 ZINC000428124262 393458937 /nfs/dbraw/zinc/45/89/37/393458937.db2.gz ZJZSIQTVIAHMTJ-UHFFFAOYSA-N 2 2 266.348 3.211 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427890978 393459655 /nfs/dbraw/zinc/45/96/55/393459655.db2.gz KSOOFAXHOGYNIT-KBUPBQIOSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357641 393472446 /nfs/dbraw/zinc/47/24/46/393472446.db2.gz DTBPXOJDPXGXRG-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357641 393472453 /nfs/dbraw/zinc/47/24/53/393472453.db2.gz DTBPXOJDPXGXRG-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP COC1(C[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CCC1 ZINC000429517221 393473877 /nfs/dbraw/zinc/47/38/77/393473877.db2.gz MVTDNLAJBQVTCY-JKSUJKDBSA-N 2 2 282.472 3.044 20 0 CGADLP O=C(CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000649386377 393409835 /nfs/dbraw/zinc/40/98/35/393409835.db2.gz YDDZHAUOILEJQZ-UHFFFAOYSA-N 2 2 297.402 3.252 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000420422871 393485692 /nfs/dbraw/zinc/48/56/92/393485692.db2.gz ZWIGPHCUDLOYJU-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP CCCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429721245 393497292 /nfs/dbraw/zinc/49/72/92/393497292.db2.gz GQPDXQBOUWDJMP-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429721245 393497296 /nfs/dbraw/zinc/49/72/96/393497296.db2.gz GQPDXQBOUWDJMP-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429721245 393497299 /nfs/dbraw/zinc/49/72/99/393497299.db2.gz GQPDXQBOUWDJMP-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CCCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429721245 393497302 /nfs/dbraw/zinc/49/73/02/393497302.db2.gz GQPDXQBOUWDJMP-SFHVURJKSA-N 2 2 290.451 3.009 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405925 393500890 /nfs/dbraw/zinc/50/08/90/393500890.db2.gz JZSDYGQNMITRLD-KLHDSHLOSA-N 2 2 284.513 3.227 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000488405925 393500895 /nfs/dbraw/zinc/50/08/95/393500895.db2.gz JZSDYGQNMITRLD-KLHDSHLOSA-N 2 2 284.513 3.227 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000357010530 393506211 /nfs/dbraw/zinc/50/62/11/393506211.db2.gz SRYHKQXPLMVVRE-QLFBSQMISA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000357010530 393506215 /nfs/dbraw/zinc/50/62/15/393506215.db2.gz SRYHKQXPLMVVRE-QLFBSQMISA-N 2 2 261.413 3.415 20 0 CGADLP COc1cccc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000429861203 393507054 /nfs/dbraw/zinc/50/70/54/393507054.db2.gz VYDPADCKBIZEQY-CYBMUJFWSA-N 2 2 285.391 3.359 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488428227 393509488 /nfs/dbraw/zinc/50/94/88/393509488.db2.gz YVNDIAUIYVVFNY-BZUAXINKSA-N 2 2 284.513 3.371 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488428227 393509491 /nfs/dbraw/zinc/50/94/91/393509491.db2.gz YVNDIAUIYVVFNY-BZUAXINKSA-N 2 2 284.513 3.371 20 0 CGADLP COc1cccc([C@H](C[NH2+]C[C@H]2C[C@H]2C)[NH+]2CCCC2)c1 ZINC000488435636 393512226 /nfs/dbraw/zinc/51/22/26/393512226.db2.gz AQXWSCYMYSTFSM-KYJSFNMBSA-N 2 2 288.435 3.078 20 0 CGADLP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488446146 393517117 /nfs/dbraw/zinc/51/71/17/393517117.db2.gz SYGXLBCDBPAWFJ-ZFWWWQNUSA-N 2 2 276.399 3.036 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CS1 ZINC000488557257 393538605 /nfs/dbraw/zinc/53/86/05/393538605.db2.gz JKRRFTNLPKKULU-UONOGXRCSA-N 2 2 293.480 3.393 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464686 393549259 /nfs/dbraw/zinc/54/92/59/393549259.db2.gz FQTWBGRRPMYRET-ZNMIVQPWSA-N 2 2 298.434 3.405 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000359464686 393549263 /nfs/dbraw/zinc/54/92/63/393549263.db2.gz FQTWBGRRPMYRET-ZNMIVQPWSA-N 2 2 298.434 3.405 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000666654537 542805758 /nfs/dbraw/zinc/80/57/58/542805758.db2.gz OJDYBNGMEMZZAB-SRVKXCTJSA-N 2 2 266.351 3.023 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000666654537 542805760 /nfs/dbraw/zinc/80/57/60/542805760.db2.gz OJDYBNGMEMZZAB-SRVKXCTJSA-N 2 2 266.351 3.023 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000430931900 393601750 /nfs/dbraw/zinc/60/17/50/393601750.db2.gz XOUMOZAIMUAELN-INIZCTEOSA-N 2 2 298.430 3.072 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000430931900 393601754 /nfs/dbraw/zinc/60/17/54/393601754.db2.gz XOUMOZAIMUAELN-INIZCTEOSA-N 2 2 298.430 3.072 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576327 393578723 /nfs/dbraw/zinc/57/87/23/393578723.db2.gz XADHUBJVGFHVKR-OCCSQVGLSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000430576327 393578730 /nfs/dbraw/zinc/57/87/30/393578730.db2.gz XADHUBJVGFHVKR-OCCSQVGLSA-N 2 2 293.480 3.360 20 0 CGADLP CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000421021255 393580211 /nfs/dbraw/zinc/58/02/11/393580211.db2.gz OHNKIHSWNUAJBB-INIZCTEOSA-N 2 2 269.392 3.151 20 0 CGADLP CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000421021255 393580215 /nfs/dbraw/zinc/58/02/15/393580215.db2.gz OHNKIHSWNUAJBB-INIZCTEOSA-N 2 2 269.392 3.151 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000360897620 393610808 /nfs/dbraw/zinc/61/08/08/393610808.db2.gz MSOLSZFZOPYORS-CWRNSKLLSA-N 2 2 276.424 3.076 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000360897620 393610812 /nfs/dbraw/zinc/61/08/12/393610812.db2.gz MSOLSZFZOPYORS-CWRNSKLLSA-N 2 2 276.424 3.076 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000433069426 393681850 /nfs/dbraw/zinc/68/18/50/393681850.db2.gz COVIZOHSXGYXBU-QGZVFWFLSA-N 2 2 269.392 3.153 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000433069426 393681854 /nfs/dbraw/zinc/68/18/54/393681854.db2.gz COVIZOHSXGYXBU-QGZVFWFLSA-N 2 2 269.392 3.153 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423264633 393657965 /nfs/dbraw/zinc/65/79/65/393657965.db2.gz AMLTVZSJRYASSC-KGLIPLIRSA-N 2 2 282.815 3.127 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)CCS2 ZINC000423369094 393663253 /nfs/dbraw/zinc/66/32/53/393663253.db2.gz SIAYCWPYTANIOF-HFBAOOFYSA-N 2 2 290.476 3.428 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423484570 393670069 /nfs/dbraw/zinc/67/00/69/393670069.db2.gz YPHOYWLXSCAMMZ-JQWIXIFHSA-N 2 2 273.207 3.308 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423530040 393671857 /nfs/dbraw/zinc/67/18/57/393671857.db2.gz PARRHTCFBIBQNS-XUVXKRRUSA-N 2 2 292.426 3.328 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CCSCC1)[NH+](C)C ZINC000443198611 393748620 /nfs/dbraw/zinc/74/86/20/393748620.db2.gz RRYZBVOQBRELIG-PBHICJAKSA-N 2 2 292.492 3.471 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491434221 393689151 /nfs/dbraw/zinc/68/91/51/393689151.db2.gz RNEJKACLHYECHE-NVXWUHKLSA-N 2 2 290.451 3.084 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491434221 393689154 /nfs/dbraw/zinc/68/91/54/393689154.db2.gz RNEJKACLHYECHE-NVXWUHKLSA-N 2 2 290.451 3.084 20 0 CGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257841 393704317 /nfs/dbraw/zinc/70/43/17/393704317.db2.gz DZOBRXFRXVZVCT-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257841 393704322 /nfs/dbraw/zinc/70/43/22/393704322.db2.gz DZOBRXFRXVZVCT-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257841 393704325 /nfs/dbraw/zinc/70/43/25/393704325.db2.gz DZOBRXFRXVZVCT-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257841 393704330 /nfs/dbraw/zinc/70/43/30/393704330.db2.gz DZOBRXFRXVZVCT-CYBMUJFWSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257842 393704483 /nfs/dbraw/zinc/70/44/83/393704483.db2.gz DZOBRXFRXVZVCT-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257842 393704488 /nfs/dbraw/zinc/70/44/88/393704488.db2.gz DZOBRXFRXVZVCT-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257842 393704492 /nfs/dbraw/zinc/70/44/92/393704492.db2.gz DZOBRXFRXVZVCT-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(F)c(Cl)c1 ZINC000433257842 393704495 /nfs/dbraw/zinc/70/44/95/393704495.db2.gz DZOBRXFRXVZVCT-ZDUSSCGKSA-N 2 2 284.806 3.395 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495182418 393777899 /nfs/dbraw/zinc/77/78/99/393777899.db2.gz HTLLMUIJXFFPFG-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495182418 393777901 /nfs/dbraw/zinc/77/79/01/393777901.db2.gz HTLLMUIJXFFPFG-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495182418 393777903 /nfs/dbraw/zinc/77/79/03/393777903.db2.gz HTLLMUIJXFFPFG-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495182418 393777905 /nfs/dbraw/zinc/77/79/05/393777905.db2.gz HTLLMUIJXFFPFG-ZWKOTPCHSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000444000789 393782253 /nfs/dbraw/zinc/78/22/53/393782253.db2.gz FTLZIHAAGCRXCR-MLGOLLRUSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000444000789 393782255 /nfs/dbraw/zinc/78/22/55/393782255.db2.gz FTLZIHAAGCRXCR-MLGOLLRUSA-N 2 2 278.827 3.221 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000444016296 393783772 /nfs/dbraw/zinc/78/37/72/393783772.db2.gz DNNIGSRFZQBYQK-OAHLLOKOSA-N 2 2 250.430 3.054 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000444016296 393783773 /nfs/dbraw/zinc/78/37/73/393783773.db2.gz DNNIGSRFZQBYQK-OAHLLOKOSA-N 2 2 250.430 3.054 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449135077 393875646 /nfs/dbraw/zinc/87/56/46/393875646.db2.gz NFTXYJWRWSLEHH-KGLIPLIRSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449135077 393875651 /nfs/dbraw/zinc/87/56/51/393875651.db2.gz NFTXYJWRWSLEHH-KGLIPLIRSA-N 2 2 286.419 3.436 20 0 CGADLP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449550701 393897222 /nfs/dbraw/zinc/89/72/22/393897222.db2.gz BYPNGHOOBQQUDR-RDJZCZTQSA-N 2 2 269.392 3.254 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449554078 393898815 /nfs/dbraw/zinc/89/88/15/393898815.db2.gz AEPPNZPRMJACFZ-AVGNSLFASA-N 2 2 268.832 3.372 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666996924 542833925 /nfs/dbraw/zinc/83/39/25/542833925.db2.gz MCECFIZWJJQHKT-LBPRGKRZSA-N 2 2 279.453 3.031 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998271 542834594 /nfs/dbraw/zinc/83/45/94/542834594.db2.gz KRFWXJUJMJMNSY-NSHDSACASA-N 2 2 282.790 3.243 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000453068897 394160102 /nfs/dbraw/zinc/16/01/02/394160102.db2.gz JYUOGALXVFUFPN-FMKPAKJESA-N 2 2 296.480 3.288 20 0 CGADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)[N@H+](C)C1CC1 ZINC000453096810 394169929 /nfs/dbraw/zinc/16/99/29/394169929.db2.gz IGXFUFKYKGZGJH-LRDDRELGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)[N@@H+](C)C1CC1 ZINC000453096810 394169933 /nfs/dbraw/zinc/16/99/33/394169933.db2.gz IGXFUFKYKGZGJH-LRDDRELGSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667494469 542877465 /nfs/dbraw/zinc/87/74/65/542877465.db2.gz BRJCEWOEIOCEDE-QGZVFWFLSA-N 2 2 281.403 3.475 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667494469 542877469 /nfs/dbraw/zinc/87/74/69/542877469.db2.gz BRJCEWOEIOCEDE-QGZVFWFLSA-N 2 2 281.403 3.475 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453144191 394186107 /nfs/dbraw/zinc/18/61/07/394186107.db2.gz QEUAMHZROSFMGK-OAUYIBNBSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453144191 394186108 /nfs/dbraw/zinc/18/61/08/394186108.db2.gz QEUAMHZROSFMGK-OAUYIBNBSA-N 2 2 262.441 3.028 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932210 134827677 /nfs/dbraw/zinc/82/76/77/134827677.db2.gz XLHYMAMKUCNVFO-CQSZACIVSA-N 2 2 261.413 3.075 20 0 CGADLP c1csc(C[N@H+](Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000667498850 542878606 /nfs/dbraw/zinc/87/86/06/542878606.db2.gz VGHCDCQKTLJPTC-UHFFFAOYSA-N 2 2 273.405 3.055 20 0 CGADLP c1csc(C[N@@H+](Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000667498850 542878608 /nfs/dbraw/zinc/87/86/08/542878608.db2.gz VGHCDCQKTLJPTC-UHFFFAOYSA-N 2 2 273.405 3.055 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667503576 542880877 /nfs/dbraw/zinc/88/08/77/542880877.db2.gz PUTKVNWBUJUYHX-QGZVFWFLSA-N 2 2 281.403 3.475 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000667593742 542894570 /nfs/dbraw/zinc/89/45/70/542894570.db2.gz LUXKNJXWTFCAKP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000667593742 542894572 /nfs/dbraw/zinc/89/45/72/542894572.db2.gz LUXKNJXWTFCAKP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc4ccncc4s3)C2)[nH]1 ZINC000667533201 542886522 /nfs/dbraw/zinc/88/65/22/542886522.db2.gz JQOHXCUHBXDXMB-ZDUSSCGKSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)[nH]1 ZINC000667533201 542886524 /nfs/dbraw/zinc/88/65/24/542886524.db2.gz JQOHXCUHBXDXMB-ZDUSSCGKSA-N 2 2 298.415 3.399 20 0 CGADLP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1F ZINC000667563688 542889927 /nfs/dbraw/zinc/88/99/27/542889927.db2.gz MYGASHSPJJWDOG-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1c1ccccc1 ZINC000667670383 542911988 /nfs/dbraw/zinc/91/19/88/542911988.db2.gz MOWOJDACPOOWJQ-MAUKXSAKSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@H]1c1ccccc1 ZINC000667670383 542911990 /nfs/dbraw/zinc/91/19/90/542911990.db2.gz MOWOJDACPOOWJQ-MAUKXSAKSA-N 2 2 295.430 3.455 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc21 ZINC000667705316 542919865 /nfs/dbraw/zinc/91/98/65/542919865.db2.gz AZSVEQKPAOZOIL-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc21 ZINC000667705316 542919869 /nfs/dbraw/zinc/91/98/69/542919869.db2.gz AZSVEQKPAOZOIL-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc21 ZINC000667705316 542919871 /nfs/dbraw/zinc/91/98/71/542919871.db2.gz AZSVEQKPAOZOIL-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc21 ZINC000667705316 542919873 /nfs/dbraw/zinc/91/98/73/542919873.db2.gz AZSVEQKPAOZOIL-HNAYVOBHSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972320 542951819 /nfs/dbraw/zinc/95/18/19/542951819.db2.gz MKJXLIOZTFUXFG-MRXNPFEDSA-N 2 2 281.403 3.127 20 0 CGADLP Cc1cccc([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000667972320 542951823 /nfs/dbraw/zinc/95/18/23/542951823.db2.gz MKJXLIOZTFUXFG-MRXNPFEDSA-N 2 2 281.403 3.127 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667995128 542955138 /nfs/dbraw/zinc/95/51/38/542955138.db2.gz AKRHKSQQQJKFQY-INIZCTEOSA-N 2 2 269.392 3.065 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667995128 542955139 /nfs/dbraw/zinc/95/51/39/542955139.db2.gz AKRHKSQQQJKFQY-INIZCTEOSA-N 2 2 269.392 3.065 20 0 CGADLP C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667996505 542955598 /nfs/dbraw/zinc/95/55/98/542955598.db2.gz PMACCLQPBVFDBQ-LJQANCHMSA-N 2 2 295.430 3.427 20 0 CGADLP C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667996505 542955602 /nfs/dbraw/zinc/95/56/02/542955602.db2.gz PMACCLQPBVFDBQ-LJQANCHMSA-N 2 2 295.430 3.427 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+](C)CCCn3cc[nH+]c3)cc21 ZINC000668168329 542979568 /nfs/dbraw/zinc/97/95/68/542979568.db2.gz UOBFONYQWFXDFY-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+](C)CCCn3cc[nH+]c3)cc21 ZINC000668168329 542979571 /nfs/dbraw/zinc/97/95/71/542979571.db2.gz UOBFONYQWFXDFY-UHFFFAOYSA-N 2 2 282.391 3.195 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549529300 289045817 /nfs/dbraw/zinc/04/58/17/289045817.db2.gz MNCXUQIDXAIAJZ-OTRWWLKZSA-N 2 2 269.392 3.053 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)[nH+]1 ZINC000668630734 543038609 /nfs/dbraw/zinc/03/86/09/543038609.db2.gz LDIVZCHAJUFQQG-WBVHZDCISA-N 2 2 299.418 3.115 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)[nH+]1 ZINC000668630734 543038610 /nfs/dbraw/zinc/03/86/10/543038610.db2.gz LDIVZCHAJUFQQG-WBVHZDCISA-N 2 2 299.418 3.115 20 0 CGADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000668712181 543049394 /nfs/dbraw/zinc/04/93/94/543049394.db2.gz ZUBXWKAZBAZABE-QGZVFWFLSA-N 2 2 276.424 3.117 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CC1(C)C ZINC000668814864 543065236 /nfs/dbraw/zinc/06/52/36/543065236.db2.gz WPVDWBAGIJSFBZ-LBPRGKRZSA-N 2 2 275.421 3.412 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CC1(C)C ZINC000668814864 543065238 /nfs/dbraw/zinc/06/52/38/543065238.db2.gz WPVDWBAGIJSFBZ-LBPRGKRZSA-N 2 2 275.421 3.412 20 0 CGADLP COCCc1cc[nH+]c(N[C@H](C)c2ccc(C)[nH+]c2C)c1 ZINC000671767043 543188116 /nfs/dbraw/zinc/18/81/16/543188116.db2.gz VTEGITNORFDRGN-CQSZACIVSA-N 2 2 285.391 3.455 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1CCOc2ccccc21 ZINC000393916851 397694253 /nfs/dbraw/zinc/69/42/53/397694253.db2.gz VWSKUWYHLXSYNK-KRWDZBQOSA-N 2 2 296.414 3.014 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1CCOc2ccccc21 ZINC000393916851 397694255 /nfs/dbraw/zinc/69/42/55/397694255.db2.gz VWSKUWYHLXSYNK-KRWDZBQOSA-N 2 2 296.414 3.014 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000675743048 543360239 /nfs/dbraw/zinc/36/02/39/543360239.db2.gz DEYOJEIAQOEMDE-DLBZAZTESA-N 2 2 274.452 3.390 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833781 543368918 /nfs/dbraw/zinc/36/89/18/543368918.db2.gz PAPAVEKTAXJJMU-CRAIPNDOSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833781 543368919 /nfs/dbraw/zinc/36/89/19/543368919.db2.gz PAPAVEKTAXJJMU-CRAIPNDOSA-N 2 2 286.463 3.427 20 0 CGADLP Clc1cscc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000676416178 543396838 /nfs/dbraw/zinc/39/68/38/543396838.db2.gz YOWIUTJKIQSVLP-NWDGAFQWSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1cscc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000676416178 543396841 /nfs/dbraw/zinc/39/68/41/543396841.db2.gz YOWIUTJKIQSVLP-NWDGAFQWSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000534972167 288430396 /nfs/dbraw/zinc/43/03/96/288430396.db2.gz LFCMPTROLLZCMJ-HNNXBMFYSA-N 2 2 275.783 3.204 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449152457 292169067 /nfs/dbraw/zinc/16/90/67/292169067.db2.gz FSZOPUWEDKNRBN-YQQAZPJKSA-N 2 2 296.499 3.290 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000677750161 543463663 /nfs/dbraw/zinc/46/36/63/543463663.db2.gz RTEQDSYSQRFZGF-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000677750161 543463665 /nfs/dbraw/zinc/46/36/65/543463665.db2.gz RTEQDSYSQRFZGF-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)on1 ZINC000677801330 543465916 /nfs/dbraw/zinc/46/59/16/543465916.db2.gz XWUURNTTYCEJRK-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP COCC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805491 543466516 /nfs/dbraw/zinc/46/65/16/543466516.db2.gz MUNQJNSXHVRXGW-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP COCC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805491 543466519 /nfs/dbraw/zinc/46/65/19/543466519.db2.gz MUNQJNSXHVRXGW-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804467 543466755 /nfs/dbraw/zinc/46/67/55/543466755.db2.gz GMRDXVZBGFPFOJ-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804467 543466757 /nfs/dbraw/zinc/46/67/57/543466757.db2.gz GMRDXVZBGFPFOJ-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000678113930 543484130 /nfs/dbraw/zinc/48/41/30/543484130.db2.gz OOLHUQSLSZDMQW-IIAWOOMASA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000678113930 543484131 /nfs/dbraw/zinc/48/41/31/543484131.db2.gz OOLHUQSLSZDMQW-IIAWOOMASA-N 2 2 258.409 3.227 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)n1 ZINC000678426624 543524981 /nfs/dbraw/zinc/52/49/81/543524981.db2.gz GPBRBLKDCKSBAS-CQSZACIVSA-N 2 2 284.407 3.246 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678597686 543540931 /nfs/dbraw/zinc/54/09/31/543540931.db2.gz HERMZYWTMLSZTR-XOKHGSTOSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000678597686 543540933 /nfs/dbraw/zinc/54/09/33/543540933.db2.gz HERMZYWTMLSZTR-XOKHGSTOSA-N 2 2 258.409 3.068 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000678767641 543554700 /nfs/dbraw/zinc/55/47/00/543554700.db2.gz BPCCAAUIRYDJAQ-KBXCAEBGSA-N 2 2 272.436 3.384 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000678767641 543554702 /nfs/dbraw/zinc/55/47/02/543554702.db2.gz BPCCAAUIRYDJAQ-KBXCAEBGSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678771969 543556104 /nfs/dbraw/zinc/55/61/04/543556104.db2.gz SFWMWBAZQVUGTC-LJHODMEESA-N 2 2 284.447 3.384 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678771969 543556105 /nfs/dbraw/zinc/55/61/05/543556105.db2.gz SFWMWBAZQVUGTC-LJHODMEESA-N 2 2 284.447 3.384 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678925734 543572154 /nfs/dbraw/zinc/57/21/54/543572154.db2.gz CGIBDBRJLXNJFM-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678925734 543572158 /nfs/dbraw/zinc/57/21/58/543572158.db2.gz CGIBDBRJLXNJFM-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000678927377 543572350 /nfs/dbraw/zinc/57/23/50/543572350.db2.gz IQLYTBPAGLKUJI-FUHWJXTLSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000678927377 543572353 /nfs/dbraw/zinc/57/23/53/543572353.db2.gz IQLYTBPAGLKUJI-FUHWJXTLSA-N 2 2 288.410 3.277 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1(CC)CC ZINC000344077787 286284619 /nfs/dbraw/zinc/28/46/19/286284619.db2.gz QMBVADAAMVEPAK-NUEKZKHPSA-N 2 2 282.472 3.043 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1(CC)CC ZINC000344077787 286284620 /nfs/dbraw/zinc/28/46/20/286284620.db2.gz QMBVADAAMVEPAK-NUEKZKHPSA-N 2 2 282.472 3.043 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)c(C)c2c1 ZINC000423233659 286438241 /nfs/dbraw/zinc/43/82/41/286438241.db2.gz KIGLRVCMZCZDLG-OLZOCXBDSA-N 2 2 288.391 3.152 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000679015648 543583321 /nfs/dbraw/zinc/58/33/21/543583321.db2.gz ITUAEPZCVBIPIE-CJNGLKHVSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C[N@H+]1C1CC1 ZINC000679015648 543583324 /nfs/dbraw/zinc/58/33/24/543583324.db2.gz ITUAEPZCVBIPIE-CJNGLKHVSA-N 2 2 288.410 3.420 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000077249212 287038161 /nfs/dbraw/zinc/03/81/61/287038161.db2.gz LGFKZYZXOPRCDQ-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000077249212 287038163 /nfs/dbraw/zinc/03/81/63/287038163.db2.gz LGFKZYZXOPRCDQ-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835094 165106851 /nfs/dbraw/zinc/10/68/51/165106851.db2.gz BFICUHWGOUSABQ-INIZCTEOSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835094 165106856 /nfs/dbraw/zinc/10/68/56/165106856.db2.gz BFICUHWGOUSABQ-INIZCTEOSA-N 2 2 276.399 3.134 20 0 CGADLP C[C@H](CC1CC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090051020 165225236 /nfs/dbraw/zinc/22/52/36/165225236.db2.gz YAHIBUNXUUJMQW-CYBMUJFWSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000090721310 287105045 /nfs/dbraw/zinc/10/50/45/287105045.db2.gz YSJXQBZDZMEKTA-OCCSQVGLSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000090721310 287105046 /nfs/dbraw/zinc/10/50/46/287105046.db2.gz YSJXQBZDZMEKTA-OCCSQVGLSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000090585913 165238355 /nfs/dbraw/zinc/23/83/55/165238355.db2.gz PBEBMOIJDXRFKH-KBPBESRZSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000090585913 165238360 /nfs/dbraw/zinc/23/83/60/165238360.db2.gz PBEBMOIJDXRFKH-KBPBESRZSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000430728039 287107159 /nfs/dbraw/zinc/10/71/59/287107159.db2.gz ZFCSUPMVYHZDBE-FZKCQIBNSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000091333723 287107691 /nfs/dbraw/zinc/10/76/91/287107691.db2.gz SRFPAYWDLIZDSM-STQMWFEESA-N 2 2 280.843 3.343 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000091333723 287107692 /nfs/dbraw/zinc/10/76/92/287107692.db2.gz SRFPAYWDLIZDSM-STQMWFEESA-N 2 2 280.843 3.343 20 0 CGADLP Cc1cc(C)cc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000092428358 165294897 /nfs/dbraw/zinc/29/48/97/165294897.db2.gz LTPGFSQLFFQMHE-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP Cc1cc(C)cc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000092428358 165294901 /nfs/dbraw/zinc/29/49/01/165294901.db2.gz LTPGFSQLFFQMHE-UHFFFAOYSA-N 2 2 281.403 3.289 20 0 CGADLP Fc1ccc(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648775 165308802 /nfs/dbraw/zinc/30/88/02/165308802.db2.gz CNFLBOJEOBUKFE-OWOJBTEDSA-N 2 2 285.366 3.373 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccnc1 ZINC000092745305 165313691 /nfs/dbraw/zinc/31/36/91/165313691.db2.gz LHSITHQQPRLCEB-CQSZACIVSA-N 2 2 270.380 3.020 20 0 CGADLP CC[C@@H](C)C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000093053077 165320784 /nfs/dbraw/zinc/32/07/84/165320784.db2.gz ALCMSBQJEGBBSV-CYBMUJFWSA-N 2 2 259.397 3.371 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683364 165333998 /nfs/dbraw/zinc/33/39/98/165333998.db2.gz WRIXNCAFJUEXLR-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683364 165333999 /nfs/dbraw/zinc/33/39/99/165333999.db2.gz WRIXNCAFJUEXLR-CQSZACIVSA-N 2 2 294.389 3.273 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000094970071 165397980 /nfs/dbraw/zinc/39/79/80/165397980.db2.gz VNWABIQICIDYHB-LBPRGKRZSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000094970071 165397986 /nfs/dbraw/zinc/39/79/86/165397986.db2.gz VNWABIQICIDYHB-LBPRGKRZSA-N 2 2 281.469 3.144 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027489 287132788 /nfs/dbraw/zinc/13/27/88/287132788.db2.gz QZWMWRCQADBGMZ-GWCFXTLKSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027489 287132789 /nfs/dbraw/zinc/13/27/89/287132789.db2.gz QZWMWRCQADBGMZ-GWCFXTLKSA-N 2 2 272.314 3.190 20 0 CGADLP CC(C)CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000122158040 287206913 /nfs/dbraw/zinc/20/69/13/287206913.db2.gz RBSUBPWIWUUPJT-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000123008280 287215085 /nfs/dbraw/zinc/21/50/85/287215085.db2.gz IHXHEHDECQIOFG-ILXRZTDVSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000123008280 287215086 /nfs/dbraw/zinc/21/50/86/287215086.db2.gz IHXHEHDECQIOFG-ILXRZTDVSA-N 2 2 258.409 3.271 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000284314856 196028219 /nfs/dbraw/zinc/02/82/19/196028219.db2.gz LMRVAVQTHXDXFN-OAHLLOKOSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1F ZINC000020128776 171016216 /nfs/dbraw/zinc/01/62/16/171016216.db2.gz IXUKNJHHXLSDHQ-AWEZNQCLSA-N 2 2 264.388 3.352 20 0 CGADLP CCC[C@H](C)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186745 171050772 /nfs/dbraw/zinc/05/07/72/171050772.db2.gz CXQKJNRSPZBUGV-ZDUSSCGKSA-N 2 2 259.397 3.371 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000020189610 171055304 /nfs/dbraw/zinc/05/53/04/171055304.db2.gz XFKWPIGMHKBQAK-CZUORRHYSA-N 2 2 276.424 3.367 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000020506243 171228032 /nfs/dbraw/zinc/22/80/32/171228032.db2.gz SZMIFESVALXQRF-HNNXBMFYSA-N 2 2 261.344 3.153 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)c1 ZINC000020506209 171228477 /nfs/dbraw/zinc/22/84/77/171228477.db2.gz PYZPEXCOELOUMR-HNNXBMFYSA-N 2 2 257.381 3.241 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000021057741 171296489 /nfs/dbraw/zinc/29/64/89/171296489.db2.gz WALBCWPHCUXTMD-OAHLLOKOSA-N 2 2 272.436 3.312 20 0 CGADLP CC(C)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000037325820 173126395 /nfs/dbraw/zinc/12/63/95/173126395.db2.gz AOAJPRVBVVBSAW-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325820 173126396 /nfs/dbraw/zinc/12/63/96/173126396.db2.gz AOAJPRVBVVBSAW-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971158 287282181 /nfs/dbraw/zinc/28/21/81/287282181.db2.gz SZMBGQSBUHWNHW-OKZBNKHCSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000356971158 287282185 /nfs/dbraw/zinc/28/21/85/287282185.db2.gz SZMBGQSBUHWNHW-OKZBNKHCSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128578734 287314063 /nfs/dbraw/zinc/31/40/63/287314063.db2.gz WQTZUNJDAWPVGE-OLZOCXBDSA-N 2 2 281.469 3.086 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128578734 287314064 /nfs/dbraw/zinc/31/40/64/287314064.db2.gz WQTZUNJDAWPVGE-OLZOCXBDSA-N 2 2 281.469 3.086 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000071142032 176040392 /nfs/dbraw/zinc/04/03/92/176040392.db2.gz QSBMXRCJUVAGPR-GHMZBOCLSA-N 2 2 270.779 3.081 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000071142032 176040393 /nfs/dbraw/zinc/04/03/93/176040393.db2.gz QSBMXRCJUVAGPR-GHMZBOCLSA-N 2 2 270.779 3.081 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000312569892 416535050 /nfs/dbraw/zinc/53/50/50/416535050.db2.gz IDOHYCBVOFZWKA-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000312569892 416535055 /nfs/dbraw/zinc/53/50/55/416535055.db2.gz IDOHYCBVOFZWKA-WCQYABFASA-N 2 2 284.856 3.366 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000122290213 416503442 /nfs/dbraw/zinc/50/34/42/416503442.db2.gz YDEVGBJBPITMKM-JSGCOSHPSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000122290213 416503446 /nfs/dbraw/zinc/50/34/46/416503446.db2.gz YDEVGBJBPITMKM-JSGCOSHPSA-N 2 2 297.240 3.008 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000679339395 543622182 /nfs/dbraw/zinc/62/21/82/543622182.db2.gz JFRBSQOIDKABJD-YSVLISHTSA-N 2 2 298.434 3.204 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000679339395 543622185 /nfs/dbraw/zinc/62/21/85/543622185.db2.gz JFRBSQOIDKABJD-YSVLISHTSA-N 2 2 298.434 3.204 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340511 543700189 /nfs/dbraw/zinc/70/01/89/543700189.db2.gz JICVNCRUFLAPFO-RHSMWYFYSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340511 543700190 /nfs/dbraw/zinc/70/01/90/543700190.db2.gz JICVNCRUFLAPFO-RHSMWYFYSA-N 2 2 264.457 3.419 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000680460088 543711737 /nfs/dbraw/zinc/71/17/37/543711737.db2.gz PVBJLNYFCYVBCI-INIZCTEOSA-N 2 2 278.827 3.403 20 0 CGADLP C[C@H](C[NH2+]C1CC(C(F)F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000681090699 543764727 /nfs/dbraw/zinc/76/47/27/543764727.db2.gz PIOISXVLKIBOPZ-UWTIGNOOSA-N 2 2 294.389 3.067 20 0 CGADLP C[C@H](C[NH2+]C1CC(C(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000681090699 543764729 /nfs/dbraw/zinc/76/47/29/543764729.db2.gz PIOISXVLKIBOPZ-UWTIGNOOSA-N 2 2 294.389 3.067 20 0 CGADLP c1c[nH+]c(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)[nH]1 ZINC000682068879 543818460 /nfs/dbraw/zinc/81/84/60/543818460.db2.gz HGWPTNUEYPHFKH-INIZCTEOSA-N 2 2 267.376 3.277 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069062 543819480 /nfs/dbraw/zinc/81/94/80/543819480.db2.gz JMPXBYHOTFQXHX-DOTOQJQBSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069062 543819482 /nfs/dbraw/zinc/81/94/82/543819482.db2.gz JMPXBYHOTFQXHX-DOTOQJQBSA-N 2 2 258.409 3.136 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133757 543827948 /nfs/dbraw/zinc/82/79/48/543827948.db2.gz QAOKYDGWWVTHRF-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000682133757 543827952 /nfs/dbraw/zinc/82/79/52/543827952.db2.gz QAOKYDGWWVTHRF-DLBZAZTESA-N 2 2 276.399 3.351 20 0 CGADLP COc1cccc2c(N3CCC[C@H]([NH2+]C(C)C)C3)cc[nH+]c12 ZINC000681976006 543813050 /nfs/dbraw/zinc/81/30/50/543813050.db2.gz BDNVRIISIPBEPQ-AWEZNQCLSA-N 2 2 299.418 3.210 20 0 CGADLP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000682151202 543828993 /nfs/dbraw/zinc/82/89/93/543828993.db2.gz KHYDSULYBYDDGI-CYBMUJFWSA-N 2 2 280.843 3.470 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[N@H+](C)C1CC1 ZINC000131068783 287370011 /nfs/dbraw/zinc/37/00/11/287370011.db2.gz PGGKRUYQZACJJX-SNPRPXQTSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[N@@H+](C)C1CC1 ZINC000131068783 287370012 /nfs/dbraw/zinc/37/00/12/287370012.db2.gz PGGKRUYQZACJJX-SNPRPXQTSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](Nc1cccc2cc[nH+]cc21)c1[nH+]ccn1C ZINC000131138846 287371652 /nfs/dbraw/zinc/37/16/52/287371652.db2.gz MLTKFOQYVNWUDP-LLVKDONJSA-N 2 2 252.321 3.141 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733664 543863461 /nfs/dbraw/zinc/86/34/61/543863461.db2.gz ZQQMIQRZLWSXQZ-IUODEOHRSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733664 543863463 /nfs/dbraw/zinc/86/34/63/543863463.db2.gz ZQQMIQRZLWSXQZ-IUODEOHRSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733666 543863264 /nfs/dbraw/zinc/86/32/64/543863264.db2.gz ZQQMIQRZLWSXQZ-WFASDCNBSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC(F)(F)CC1 ZINC000682733666 543863266 /nfs/dbraw/zinc/86/32/66/543863266.db2.gz ZQQMIQRZLWSXQZ-WFASDCNBSA-N 2 2 286.410 3.274 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132132037 287397937 /nfs/dbraw/zinc/39/79/37/287397937.db2.gz IXZRSRJUYPRGPB-CVEARBPZSA-N 2 2 285.435 3.498 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2ccc3cnccc3c2)[nH+]c1 ZINC000683772140 543940711 /nfs/dbraw/zinc/94/07/11/543940711.db2.gz NULLBZXIMOJJBR-UHFFFAOYSA-N 2 2 292.386 3.222 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc4cnccc4c3)C2)c[nH+]1 ZINC000683829678 543946170 /nfs/dbraw/zinc/94/61/70/543946170.db2.gz ITEPELJHOFYQSR-SFHVURJKSA-N 2 2 292.386 3.268 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc4cnccc4c3)C2)c[nH+]1 ZINC000683829678 543946173 /nfs/dbraw/zinc/94/61/73/543946173.db2.gz ITEPELJHOFYQSR-SFHVURJKSA-N 2 2 292.386 3.268 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022434 543962007 /nfs/dbraw/zinc/96/20/07/543962007.db2.gz LAKLGNXMGJDLCZ-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022434 543962008 /nfs/dbraw/zinc/96/20/08/543962008.db2.gz LAKLGNXMGJDLCZ-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022434 543962010 /nfs/dbraw/zinc/96/20/10/543962010.db2.gz LAKLGNXMGJDLCZ-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@H]21 ZINC000684022434 543962012 /nfs/dbraw/zinc/96/20/12/543962012.db2.gz LAKLGNXMGJDLCZ-MAUKXSAKSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022436 543962407 /nfs/dbraw/zinc/96/24/07/543962407.db2.gz LAKLGNXMGJDLCZ-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022436 543962408 /nfs/dbraw/zinc/96/24/08/543962408.db2.gz LAKLGNXMGJDLCZ-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022436 543962410 /nfs/dbraw/zinc/96/24/10/543962410.db2.gz LAKLGNXMGJDLCZ-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CC[C@@H]21 ZINC000684022436 543962412 /nfs/dbraw/zinc/96/24/12/543962412.db2.gz LAKLGNXMGJDLCZ-YJBOKZPZSA-N 2 2 283.419 3.084 20 0 CGADLP Cc1cccc(CCNc2cc[nH+]c3c(O)cccc23)[nH+]1 ZINC000684591691 544017857 /nfs/dbraw/zinc/01/78/57/544017857.db2.gz YRMDYKKHXADDES-UHFFFAOYSA-N 2 2 279.343 3.298 20 0 CGADLP CO[C@H]1CCC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000684372590 543987989 /nfs/dbraw/zinc/98/79/89/543987989.db2.gz QPFUXNULNLKIQK-KGLIPLIRSA-N 2 2 287.407 3.043 20 0 CGADLP CCn1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)c1 ZINC000684407212 543994610 /nfs/dbraw/zinc/99/46/10/543994610.db2.gz PVOHOXLATGWGOW-UHFFFAOYSA-N 2 2 271.408 3.276 20 0 CGADLP CCn1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)c1 ZINC000684407212 543994612 /nfs/dbraw/zinc/99/46/12/543994612.db2.gz PVOHOXLATGWGOW-UHFFFAOYSA-N 2 2 271.408 3.276 20 0 CGADLP Oc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000685459547 544073767 /nfs/dbraw/zinc/07/37/67/544073767.db2.gz DLDRQNATFJWIRT-UHFFFAOYSA-N 2 2 299.418 3.281 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470419 544076926 /nfs/dbraw/zinc/07/69/26/544076926.db2.gz OYKLSQHHIVJEJE-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCC2)s1 ZINC000685470419 544076929 /nfs/dbraw/zinc/07/69/29/544076929.db2.gz OYKLSQHHIVJEJE-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470419 544076931 /nfs/dbraw/zinc/07/69/31/544076931.db2.gz OYKLSQHHIVJEJE-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000685470419 544076933 /nfs/dbraw/zinc/07/69/33/544076933.db2.gz OYKLSQHHIVJEJE-IUODEOHRSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000685002792 544050974 /nfs/dbraw/zinc/05/09/74/544050974.db2.gz MZGDKTROWYMKAZ-KRWDZBQOSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000685002792 544050976 /nfs/dbraw/zinc/05/09/76/544050976.db2.gz MZGDKTROWYMKAZ-KRWDZBQOSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653299403 419026019 /nfs/dbraw/zinc/02/60/19/419026019.db2.gz SCWJWSMVOANAPU-GWCFXTLKSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653299403 419026020 /nfs/dbraw/zinc/02/60/20/419026020.db2.gz SCWJWSMVOANAPU-GWCFXTLKSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655750870 419086968 /nfs/dbraw/zinc/08/69/68/419086968.db2.gz CJMBGVDDJSCYES-OAHLLOKOSA-N 2 2 284.407 3.200 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000665253078 419094193 /nfs/dbraw/zinc/09/41/93/419094193.db2.gz GLHBLGVOWMRULC-QHQPWPDESA-N 2 2 294.389 3.044 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000665296114 419109085 /nfs/dbraw/zinc/10/90/85/419109085.db2.gz MVSZBEAMYKTFSL-RISCZKNCSA-N 2 2 254.805 3.235 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000665296443 419109328 /nfs/dbraw/zinc/10/93/28/419109328.db2.gz SOEQGPOJCCQESE-YGRLFVJLSA-N 2 2 286.341 3.354 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000665296696 419110109 /nfs/dbraw/zinc/11/01/09/419110109.db2.gz WTFFKIPSGCLNTG-KBPBESRZSA-N 2 2 269.392 3.007 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000665298380 419110324 /nfs/dbraw/zinc/11/03/24/419110324.db2.gz VNDBRQFJHGPCBD-OCCSQVGLSA-N 2 2 264.438 3.038 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000665298675 419110371 /nfs/dbraw/zinc/11/03/71/419110371.db2.gz ZUWAUJFCJFAINX-BLLLJJGKSA-N 2 2 271.408 3.051 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000665298699 419110459 /nfs/dbraw/zinc/11/04/59/419110459.db2.gz ZWKMKIPEXQYBDZ-VXGBXAGGSA-N 2 2 284.831 3.386 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665298591 419110583 /nfs/dbraw/zinc/11/05/83/419110583.db2.gz YNVFRRLIFYUFSW-ZIAGYGMSSA-N 2 2 264.413 3.124 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000665298480 419111237 /nfs/dbraw/zinc/11/12/37/419111237.db2.gz WVSDACIFQUXVLZ-KSSFIOAISA-N 2 2 286.394 3.307 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000665298406 419111342 /nfs/dbraw/zinc/11/13/42/419111342.db2.gz VQKCBWLNSZRMMK-QMTHXVAHSA-N 2 2 297.240 3.024 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655850836 419120172 /nfs/dbraw/zinc/12/01/72/419120172.db2.gz MSTAJGQWARQUSH-KGLIPLIRSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850836 419120175 /nfs/dbraw/zinc/12/01/75/419120175.db2.gz MSTAJGQWARQUSH-KGLIPLIRSA-N 2 2 272.383 3.171 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@@H]1C ZINC000655851043 419120715 /nfs/dbraw/zinc/12/07/15/419120715.db2.gz OOJIMZFDGMLMFE-RFBLXINOSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[C@@H]1C ZINC000655851043 419120716 /nfs/dbraw/zinc/12/07/16/419120716.db2.gz OOJIMZFDGMLMFE-RFBLXINOSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CO2 ZINC000655855755 419122521 /nfs/dbraw/zinc/12/25/21/419122521.db2.gz IGWANPRBQDYTMZ-ZWKOTPCHSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CO2 ZINC000655855755 419122524 /nfs/dbraw/zinc/12/25/24/419122524.db2.gz IGWANPRBQDYTMZ-ZWKOTPCHSA-N 2 2 298.430 3.069 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855608 419123214 /nfs/dbraw/zinc/12/32/14/419123214.db2.gz IFNVDUGWETVAOX-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855608 419123217 /nfs/dbraw/zinc/12/32/17/419123217.db2.gz IFNVDUGWETVAOX-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1Cl ZINC000659983347 419053286 /nfs/dbraw/zinc/05/32/86/419053286.db2.gz JXDYGWDBNASVHA-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1Cl ZINC000659983347 419053290 /nfs/dbraw/zinc/05/32/90/419053290.db2.gz JXDYGWDBNASVHA-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000659983347 419053295 /nfs/dbraw/zinc/05/32/95/419053295.db2.gz JXDYGWDBNASVHA-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Cl ZINC000659983347 419053297 /nfs/dbraw/zinc/05/32/97/419053297.db2.gz JXDYGWDBNASVHA-TZMCWYRMSA-N 2 2 296.842 3.263 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856039 419123350 /nfs/dbraw/zinc/12/33/50/419123350.db2.gz LBHAIRDDIDQBNP-PUWFUPIHSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856039 419123355 /nfs/dbraw/zinc/12/33/55/419123355.db2.gz LBHAIRDDIDQBNP-PUWFUPIHSA-N 2 2 288.410 3.445 20 0 CGADLP CC[NH+](CC)[C@@H](CN[C@@H]1CCCn2cc[nH+]c21)CC(C)C ZINC000655687003 419065128 /nfs/dbraw/zinc/06/51/28/419065128.db2.gz HLJQFTJWKQNYBE-HZPDHXFCSA-N 2 2 292.471 3.064 20 0 CGADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065458 419070117 /nfs/dbraw/zinc/07/01/17/419070117.db2.gz WNGRECUJYRTXRO-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065458 419070121 /nfs/dbraw/zinc/07/01/21/419070121.db2.gz WNGRECUJYRTXRO-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065458 419070123 /nfs/dbraw/zinc/07/01/23/419070123.db2.gz WNGRECUJYRTXRO-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CO[C@H](C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)C1CCC1 ZINC000660065458 419070127 /nfs/dbraw/zinc/07/01/27/419070127.db2.gz WNGRECUJYRTXRO-CIRFHOKZSA-N 2 2 294.483 3.139 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078281 419072992 /nfs/dbraw/zinc/07/29/92/419072992.db2.gz TYHJKCMUWRCBNI-RYUDHWBXSA-N 2 2 271.355 3.271 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078281 419072995 /nfs/dbraw/zinc/07/29/95/419072995.db2.gz TYHJKCMUWRCBNI-RYUDHWBXSA-N 2 2 271.355 3.271 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)ccc1Cl)C2 ZINC000660661695 419179644 /nfs/dbraw/zinc/17/96/44/419179644.db2.gz FLVIEPWKYTWWLG-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(F)ccc1Cl)C2 ZINC000660661695 419179646 /nfs/dbraw/zinc/17/96/46/419179646.db2.gz FLVIEPWKYTWWLG-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1Cl)C2 ZINC000660661695 419179648 /nfs/dbraw/zinc/17/96/48/419179648.db2.gz FLVIEPWKYTWWLG-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC000660661695 419179650 /nfs/dbraw/zinc/17/96/50/419179650.db2.gz FLVIEPWKYTWWLG-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666079454 419187281 /nfs/dbraw/zinc/18/72/81/419187281.db2.gz YBQGHYNXQIDQMA-CYBMUJFWSA-N 2 2 280.843 3.127 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1Cl ZINC000657287448 419243290 /nfs/dbraw/zinc/24/32/90/419243290.db2.gz MQRCXXGHPGAPLH-LLVKDONJSA-N 2 2 275.783 3.334 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657292111 419243668 /nfs/dbraw/zinc/24/36/68/419243668.db2.gz ILMBVWORQLOYRK-INIZCTEOSA-N 2 2 269.392 3.460 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCc1cccc3ccccc31)CCC2 ZINC000657308605 419247850 /nfs/dbraw/zinc/24/78/50/419247850.db2.gz UTKUWFFITBOFRZ-UHFFFAOYSA-N 2 2 291.398 3.315 20 0 CGADLP Cc1cc(C)c(CC[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657319206 419249478 /nfs/dbraw/zinc/24/94/78/419249478.db2.gz VFMZINKVMKKUJK-UHFFFAOYSA-N 2 2 283.419 3.087 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)[nH]c2c1 ZINC000657394234 419269123 /nfs/dbraw/zinc/26/91/23/419269123.db2.gz LPWDSBGKTMWOQY-FZKQIMNGSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH]c2c1 ZINC000657394234 419269125 /nfs/dbraw/zinc/26/91/25/419269125.db2.gz LPWDSBGKTMWOQY-FZKQIMNGSA-N 2 2 283.419 3.049 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CCC2 ZINC000657366714 419261651 /nfs/dbraw/zinc/26/16/51/419261651.db2.gz BLAQXQRDPXSRLP-WMZOPIPTSA-N 2 2 295.430 3.330 20 0 CGADLP Cc1cccc([C@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657374942 419263182 /nfs/dbraw/zinc/26/31/82/419263182.db2.gz UBKKXBHFOFEAOB-CQSZACIVSA-N 2 2 269.392 3.031 20 0 CGADLP CCc1ccc(C)[nH+]c1NCc1[nH+]ccn1CC(F)(F)F ZINC000656777827 419216109 /nfs/dbraw/zinc/21/61/09/419216109.db2.gz DBFJDPBQYVSSSI-UHFFFAOYSA-N 2 2 298.312 3.323 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785373 419219800 /nfs/dbraw/zinc/21/98/00/419219800.db2.gz NYVCJUJLOIBVKH-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785373 419219802 /nfs/dbraw/zinc/21/98/02/419219802.db2.gz NYVCJUJLOIBVKH-UHFFFAOYSA-N 2 2 274.330 3.183 20 0 CGADLP Cc1cc(F)c(C[NH2+]CC2([NH3+])CCCC2)c(Cl)c1 ZINC000656789766 419220691 /nfs/dbraw/zinc/22/06/91/419220691.db2.gz XRTQCSIQTWCPRJ-UHFFFAOYSA-N 2 2 270.779 3.149 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(F)c(C)c2)n1C ZINC000657391372 419268273 /nfs/dbraw/zinc/26/82/73/419268273.db2.gz RDKNPIKFQZNVPR-NSHDSACASA-N 2 2 261.344 3.027 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)n1C ZINC000657429629 419277139 /nfs/dbraw/zinc/27/71/39/419277139.db2.gz HHGWGDIURYLPDY-PXAZEXFGSA-N 2 2 269.392 3.060 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC(C3CCC3)CC1)CC2 ZINC000657440697 419279909 /nfs/dbraw/zinc/27/99/09/419279909.db2.gz WODKCFAAUAUFSY-GPANFISMSA-N 2 2 273.424 3.146 20 0 CGADLP C[C@@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657451311 419281716 /nfs/dbraw/zinc/28/17/16/419281716.db2.gz OLECXZVNOXZDRA-ZDUSSCGKSA-N 2 2 261.413 3.278 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000657470484 419286403 /nfs/dbraw/zinc/28/64/03/419286403.db2.gz SCVACKDXDKGENU-MCIONIFRSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000657470484 419286406 /nfs/dbraw/zinc/28/64/06/419286406.db2.gz SCVACKDXDKGENU-MCIONIFRSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)s1 ZINC000657525792 419297829 /nfs/dbraw/zinc/29/78/29/419297829.db2.gz VSFXVCUVJAIDHF-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)s1 ZINC000657525792 419297830 /nfs/dbraw/zinc/29/78/30/419297830.db2.gz VSFXVCUVJAIDHF-CQSZACIVSA-N 2 2 266.454 3.327 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000657526876 419298310 /nfs/dbraw/zinc/29/83/10/419298310.db2.gz OAIXOMXDJFILIM-LBPRGKRZSA-N 2 2 260.372 3.027 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000657526876 419298311 /nfs/dbraw/zinc/29/83/11/419298311.db2.gz OAIXOMXDJFILIM-LBPRGKRZSA-N 2 2 260.372 3.027 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657526670 419299092 /nfs/dbraw/zinc/29/90/92/419299092.db2.gz KMOAZEBUJIJQMI-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000657526670 419299094 /nfs/dbraw/zinc/29/90/94/419299094.db2.gz KMOAZEBUJIJQMI-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000657563316 419305864 /nfs/dbraw/zinc/30/58/64/419305864.db2.gz LPWBAVCOEZSZTA-MRXNPFEDSA-N 2 2 296.499 3.436 20 0 CGADLP COCCC1(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000657563316 419305866 /nfs/dbraw/zinc/30/58/66/419305866.db2.gz LPWBAVCOEZSZTA-MRXNPFEDSA-N 2 2 296.499 3.436 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2)[nH+]1 ZINC000657645939 419317935 /nfs/dbraw/zinc/31/79/35/419317935.db2.gz NZTVKKNXZPCZLG-CZIWCDLHSA-N 2 2 293.370 3.034 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000657741940 419334483 /nfs/dbraw/zinc/33/44/83/419334483.db2.gz JZTCVZBAOYUUCG-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000657741940 419334486 /nfs/dbraw/zinc/33/44/86/419334486.db2.gz JZTCVZBAOYUUCG-KSZLIROESA-N 2 2 272.436 3.397 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000657742531 419335561 /nfs/dbraw/zinc/33/55/61/419335561.db2.gz SICZOQPORYJZTE-BWPKMQGJSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000657742531 419335563 /nfs/dbraw/zinc/33/55/63/419335563.db2.gz SICZOQPORYJZTE-BWPKMQGJSA-N 2 2 280.362 3.052 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000657859718 419392025 /nfs/dbraw/zinc/39/20/25/419392025.db2.gz XGSKZDAOKWNKKK-DOTOQJQBSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657878277 419402009 /nfs/dbraw/zinc/40/20/09/419402009.db2.gz FZLZECNTGYPDOG-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000657878277 419402013 /nfs/dbraw/zinc/40/20/13/419402013.db2.gz FZLZECNTGYPDOG-DOTOQJQBSA-N 2 2 292.492 3.382 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCCSCC1 ZINC000657823433 419373309 /nfs/dbraw/zinc/37/33/09/419373309.db2.gz GFLHNYRQTLPXGS-AWEZNQCLSA-N 2 2 289.448 3.220 20 0 CGADLP C(CC1CCC1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662274245 419381087 /nfs/dbraw/zinc/38/10/87/419381087.db2.gz GRLCBPYYZSYNCR-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCC1)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662274245 419381094 /nfs/dbraw/zinc/38/10/94/419381094.db2.gz GRLCBPYYZSYNCR-JKSUJKDBSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccs1 ZINC000658054242 419523078 /nfs/dbraw/zinc/52/30/78/419523078.db2.gz CNRKTGRXHPCLRO-VXGBXAGGSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccs1 ZINC000658054242 419523086 /nfs/dbraw/zinc/52/30/86/419523086.db2.gz CNRKTGRXHPCLRO-VXGBXAGGSA-N 2 2 252.427 3.272 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059493 419530805 /nfs/dbraw/zinc/53/08/05/419530805.db2.gz JQQFXPKIVSJIHN-OIISXLGYSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059493 419530809 /nfs/dbraw/zinc/53/08/09/419530809.db2.gz JQQFXPKIVSJIHN-OIISXLGYSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059496 419531071 /nfs/dbraw/zinc/53/10/71/419531071.db2.gz JQQFXPKIVSJIHN-UAGQMJEPSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059496 419531079 /nfs/dbraw/zinc/53/10/79/419531079.db2.gz JQQFXPKIVSJIHN-UAGQMJEPSA-N 2 2 290.451 3.225 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000658060294 419531360 /nfs/dbraw/zinc/53/13/60/419531360.db2.gz LREPLAOZLRDDCR-HUUCEWRRSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000658060294 419531363 /nfs/dbraw/zinc/53/13/63/419531363.db2.gz LREPLAOZLRDDCR-HUUCEWRRSA-N 2 2 282.472 3.187 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658091041 419566087 /nfs/dbraw/zinc/56/60/87/419566087.db2.gz KHJAPRUWUQRQBQ-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658091041 419566096 /nfs/dbraw/zinc/56/60/96/419566096.db2.gz KHJAPRUWUQRQBQ-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658097182 419572298 /nfs/dbraw/zinc/57/22/98/419572298.db2.gz VQFRJZVWGWYWBA-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658097182 419572304 /nfs/dbraw/zinc/57/23/04/419572304.db2.gz VQFRJZVWGWYWBA-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000658097152 419572499 /nfs/dbraw/zinc/57/24/99/419572499.db2.gz VFODSZRUUAHFRR-XJKSGUPXSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000658097152 419572504 /nfs/dbraw/zinc/57/25/04/419572504.db2.gz VFODSZRUUAHFRR-XJKSGUPXSA-N 2 2 288.435 3.232 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095521 419573638 /nfs/dbraw/zinc/57/36/38/419573638.db2.gz IUMHKRZHDAVGEW-UAGQMJEPSA-N 2 2 290.451 3.225 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095521 419573641 /nfs/dbraw/zinc/57/36/41/419573641.db2.gz IUMHKRZHDAVGEW-UAGQMJEPSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000663387330 419587344 /nfs/dbraw/zinc/58/73/44/419587344.db2.gz YSAHJJKPVFRWOW-JTQLQIEISA-N 2 2 284.285 3.106 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000658284912 419731478 /nfs/dbraw/zinc/73/14/78/419731478.db2.gz HXCZOEYFIBJORT-DOTOQJQBSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000658284912 419731486 /nfs/dbraw/zinc/73/14/86/419731486.db2.gz HXCZOEYFIBJORT-DOTOQJQBSA-N 2 2 290.476 3.091 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286174 419732084 /nfs/dbraw/zinc/73/20/84/419732084.db2.gz PVTPSRVQTFYCFG-DKIMLUQUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286174 419732091 /nfs/dbraw/zinc/73/20/91/419732091.db2.gz PVTPSRVQTFYCFG-DKIMLUQUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000658286187 419734619 /nfs/dbraw/zinc/73/46/19/419734619.db2.gz PXWTWSJIGNEGSG-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000658286187 419734625 /nfs/dbraw/zinc/73/46/25/419734625.db2.gz PXWTWSJIGNEGSG-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2cccs2)C1 ZINC000658288250 419738319 /nfs/dbraw/zinc/73/83/19/419738319.db2.gz SCFSHJKYPSQIBN-KBPBESRZSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)Cc2cccs2)C1 ZINC000658288250 419738325 /nfs/dbraw/zinc/73/83/25/419738325.db2.gz SCFSHJKYPSQIBN-KBPBESRZSA-N 2 2 266.454 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000658288383 419739462 /nfs/dbraw/zinc/73/94/62/419739462.db2.gz VCMUUQFHZMIFJI-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000658288383 419739468 /nfs/dbraw/zinc/73/94/68/419739468.db2.gz VCMUUQFHZMIFJI-WBVHZDCISA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294581 419741048 /nfs/dbraw/zinc/74/10/48/419741048.db2.gz NRKXPJYZCAIXAM-USXIJHARSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294220 419742167 /nfs/dbraw/zinc/74/21/67/419742167.db2.gz MIZOPPYZUGFZRQ-XYJFISCASA-N 2 2 296.499 3.290 20 0 CGADLP Cc1cccc(CCCNc2[nH+]ccc3[nH]ccc32)[nH+]1 ZINC000663899576 419750152 /nfs/dbraw/zinc/75/01/52/419750152.db2.gz JTQWYZQXZKPIKH-UHFFFAOYSA-N 2 2 266.348 3.311 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265129 419719345 /nfs/dbraw/zinc/71/93/45/419719345.db2.gz KQRAEVYGSYPRDG-CDMIUOQYSA-N 2 2 284.394 3.027 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265129 419719351 /nfs/dbraw/zinc/71/93/51/419719351.db2.gz KQRAEVYGSYPRDG-CDMIUOQYSA-N 2 2 284.394 3.027 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000230970615 287641632 /nfs/dbraw/zinc/64/16/32/287641632.db2.gz QXACKQJYIGBZJR-CYBMUJFWSA-N 2 2 264.413 3.042 20 0 CGADLP CCC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000040771099 270030317 /nfs/dbraw/zinc/03/03/17/270030317.db2.gz XITIMGSLNOCXLC-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000041064058 270030361 /nfs/dbraw/zinc/03/03/61/270030361.db2.gz BRLPCXSRMIBPTJ-CQSZACIVSA-N 2 2 265.360 3.387 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534243 270034593 /nfs/dbraw/zinc/03/45/93/270034593.db2.gz GBRXIIMEJOSFGZ-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043534243 270034594 /nfs/dbraw/zinc/03/45/94/270034594.db2.gz GBRXIIMEJOSFGZ-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685490 270037421 /nfs/dbraw/zinc/03/74/21/270037421.db2.gz PYZKSWNLFPKMOE-CQSZACIVSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685490 270037422 /nfs/dbraw/zinc/03/74/22/270037422.db2.gz PYZKSWNLFPKMOE-CQSZACIVSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000045094544 270038159 /nfs/dbraw/zinc/03/81/59/270038159.db2.gz KCOVESRCZNNJFR-LBPRGKRZSA-N 2 2 279.334 3.292 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000045094502 270038265 /nfs/dbraw/zinc/03/82/65/270038265.db2.gz XWERRTPBNZZVIP-HNNXBMFYSA-N 2 2 287.407 3.413 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000107785707 270050535 /nfs/dbraw/zinc/05/05/35/270050535.db2.gz HCDZGLOJFWETMO-KRWDZBQOSA-N 2 2 268.404 3.349 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1cc(O)cc(F)c1)C(C)C ZINC000185562553 270063458 /nfs/dbraw/zinc/06/34/58/270063458.db2.gz KHSDGEDKWKXKKO-UHFFFAOYSA-N 2 2 282.403 3.130 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000186239916 270065534 /nfs/dbraw/zinc/06/55/34/270065534.db2.gz WPGLTHZAGOOKBD-QWHCGFSZSA-N 2 2 293.480 3.401 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000186239916 270065535 /nfs/dbraw/zinc/06/55/35/270065535.db2.gz WPGLTHZAGOOKBD-QWHCGFSZSA-N 2 2 293.480 3.401 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186606576 270066678 /nfs/dbraw/zinc/06/66/78/270066678.db2.gz DYTNWRGYLLGYBI-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186606576 270066679 /nfs/dbraw/zinc/06/66/79/270066679.db2.gz DYTNWRGYLLGYBI-WXRRBKDZSA-N 2 2 278.362 3.039 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186606595 270066788 /nfs/dbraw/zinc/06/67/88/270066788.db2.gz DYTNWRGYLLGYBI-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186606595 270066789 /nfs/dbraw/zinc/06/67/89/270066789.db2.gz DYTNWRGYLLGYBI-BPCQOVAHSA-N 2 2 278.362 3.039 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000219805346 270085730 /nfs/dbraw/zinc/08/57/30/270085730.db2.gz UIZTWCIJBTVKBS-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000219805346 270085731 /nfs/dbraw/zinc/08/57/31/270085731.db2.gz UIZTWCIJBTVKBS-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000227956336 270087617 /nfs/dbraw/zinc/08/76/17/270087617.db2.gz KEDHPFTYMPWDKN-APIJFGDWSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000227956336 270087618 /nfs/dbraw/zinc/08/76/18/270087618.db2.gz KEDHPFTYMPWDKN-APIJFGDWSA-N 2 2 250.430 3.170 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC1)Cc1ccccc1 ZINC000236903188 270089622 /nfs/dbraw/zinc/08/96/22/270089622.db2.gz FDGKYJRYCRDDIJ-YJBOKZPZSA-N 2 2 274.452 3.328 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000312312236 270092472 /nfs/dbraw/zinc/09/24/72/270092472.db2.gz ZZECTWBWRWPORU-HYVNUMGLSA-N 2 2 292.492 3.411 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000521583067 270102591 /nfs/dbraw/zinc/10/25/91/270102591.db2.gz ATGZJVIXRFLWGW-CQSZACIVSA-N 2 2 293.480 3.421 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000524771440 270114919 /nfs/dbraw/zinc/11/49/19/270114919.db2.gz PRVJYLCLAUMQBU-OAHLLOKOSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000524771440 270114920 /nfs/dbraw/zinc/11/49/20/270114920.db2.gz PRVJYLCLAUMQBU-OAHLLOKOSA-N 2 2 268.404 3.271 20 0 CGADLP CCc1nc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cs1 ZINC000525977668 270121421 /nfs/dbraw/zinc/12/14/21/270121421.db2.gz REPODXNUSLQQHS-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP CCc1nc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cs1 ZINC000525977668 270121422 /nfs/dbraw/zinc/12/14/22/270121422.db2.gz REPODXNUSLQQHS-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527751202 270134352 /nfs/dbraw/zinc/13/43/52/270134352.db2.gz TTYINDBNSIDKBY-QAPCUYQASA-N 2 2 270.420 3.378 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000527751202 270134353 /nfs/dbraw/zinc/13/43/53/270134353.db2.gz TTYINDBNSIDKBY-QAPCUYQASA-N 2 2 270.420 3.378 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751676 270134597 /nfs/dbraw/zinc/13/45/97/270134597.db2.gz KIADWSHHOKXZAR-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751676 270134598 /nfs/dbraw/zinc/13/45/98/270134598.db2.gz KIADWSHHOKXZAR-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527862706 270140666 /nfs/dbraw/zinc/14/06/66/270140666.db2.gz HSILOOBODXJFBT-CGTJXYLNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527862706 270140667 /nfs/dbraw/zinc/14/06/67/270140667.db2.gz HSILOOBODXJFBT-CGTJXYLNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527846340 270139518 /nfs/dbraw/zinc/13/95/18/270139518.db2.gz KYUUFUSIUHRMFQ-RHSMWYFYSA-N 2 2 281.403 3.210 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527845836 270139614 /nfs/dbraw/zinc/13/96/14/270139614.db2.gz JSCFYMCUEIOPNC-OCCSQVGLSA-N 2 2 269.392 3.123 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527850851 270139800 /nfs/dbraw/zinc/13/98/00/270139800.db2.gz LPSDDFBCUAANTG-DZGCQCFKSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CC12CC2 ZINC000527857170 270139887 /nfs/dbraw/zinc/13/98/87/270139887.db2.gz GPKSAQLEQQCNCD-BFHYXJOUSA-N 2 2 287.451 3.274 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000527857970 270140252 /nfs/dbraw/zinc/14/02/52/270140252.db2.gz FYDJSMMJLYPBPU-SJORKVTESA-N 2 2 272.436 3.224 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000527857970 270140253 /nfs/dbraw/zinc/14/02/53/270140253.db2.gz FYDJSMMJLYPBPU-SJORKVTESA-N 2 2 272.436 3.224 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC000527949100 270146453 /nfs/dbraw/zinc/14/64/53/270146453.db2.gz NZKNUFUWADPGSB-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000527949100 270146454 /nfs/dbraw/zinc/14/64/54/270146454.db2.gz NZKNUFUWADPGSB-DOTOQJQBSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC000527949106 270146468 /nfs/dbraw/zinc/14/64/68/270146468.db2.gz NZKNUFUWADPGSB-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000527949106 270146469 /nfs/dbraw/zinc/14/64/69/270146469.db2.gz NZKNUFUWADPGSB-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C ZINC000528002764 270150293 /nfs/dbraw/zinc/15/02/93/270150293.db2.gz QTWJHUNHQHCGHC-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C ZINC000528002764 270150294 /nfs/dbraw/zinc/15/02/94/270150294.db2.gz QTWJHUNHQHCGHC-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003555 270150490 /nfs/dbraw/zinc/15/04/90/270150490.db2.gz STFUVOWTXQOMML-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003555 270150491 /nfs/dbraw/zinc/15/04/91/270150491.db2.gz STFUVOWTXQOMML-ZFWWWQNUSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010035 270151268 /nfs/dbraw/zinc/15/12/68/270151268.db2.gz HYHFSMXEYFDNOH-SUMWQHHRSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000528010035 270151269 /nfs/dbraw/zinc/15/12/69/270151269.db2.gz HYHFSMXEYFDNOH-SUMWQHHRSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015457 270151461 /nfs/dbraw/zinc/15/14/61/270151461.db2.gz XNLPBLBZKFXJTH-XJKSGUPXSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015457 270151462 /nfs/dbraw/zinc/15/14/62/270151462.db2.gz XNLPBLBZKFXJTH-XJKSGUPXSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015916 270151692 /nfs/dbraw/zinc/15/16/92/270151692.db2.gz ZZNKWFXCZLQUBE-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015916 270151693 /nfs/dbraw/zinc/15/16/93/270151693.db2.gz ZZNKWFXCZLQUBE-CZUORRHYSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCCC[C@H]1C ZINC000529536312 270183211 /nfs/dbraw/zinc/18/32/11/270183211.db2.gz YKGSZNSIQRGSTF-UPJWGTAASA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCCC[C@H]1C ZINC000529536312 270183212 /nfs/dbraw/zinc/18/32/12/270183212.db2.gz YKGSZNSIQRGSTF-UPJWGTAASA-N 2 2 274.399 3.273 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000529670102 270187714 /nfs/dbraw/zinc/18/77/14/270187714.db2.gz RBXSRDIGRGOBOT-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC000529670102 270187715 /nfs/dbraw/zinc/18/77/15/270187715.db2.gz RBXSRDIGRGOBOT-IBGZPJMESA-N 2 2 284.447 3.008 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530220545 270196526 /nfs/dbraw/zinc/19/65/26/270196526.db2.gz OOUNEBGRQYKBGL-IAGOWNOFSA-N 2 2 288.435 3.411 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC)cc1 ZINC000530225208 270196556 /nfs/dbraw/zinc/19/65/56/270196556.db2.gz XFQIVJJRGMDAIY-CVEARBPZSA-N 2 2 274.408 3.021 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220360 270196126 /nfs/dbraw/zinc/19/61/26/270196126.db2.gz NRWHXFARLGOMST-BBRMVZONSA-N 2 2 274.408 3.021 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530218367 270196134 /nfs/dbraw/zinc/19/61/34/270196134.db2.gz VYQKBBRKHXPLCH-WMLDXEAASA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530219647 270196325 /nfs/dbraw/zinc/19/63/25/270196325.db2.gz MIECCFZGBXMWRK-BXUZGUMPSA-N 2 2 264.800 3.275 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(F)c1 ZINC000530225019 270196443 /nfs/dbraw/zinc/19/64/43/270196443.db2.gz WIPGDECGNYTMAZ-HZMBPMFUSA-N 2 2 282.790 3.414 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000531682586 270208706 /nfs/dbraw/zinc/20/87/06/270208706.db2.gz WJPBOYAWFVNDFQ-BEFAXECRSA-N 2 2 298.430 3.241 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000531682586 270208707 /nfs/dbraw/zinc/20/87/07/270208707.db2.gz WJPBOYAWFVNDFQ-BEFAXECRSA-N 2 2 298.430 3.241 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531980274 270211876 /nfs/dbraw/zinc/21/18/76/270211876.db2.gz QIBBAXRGMJHTPH-CRAIPNDOSA-N 2 2 286.463 3.254 20 0 CGADLP Cc1cn2cc(Nc3cc(C)[nH+]c(C(C)C)n3)ccc2[nH+]1 ZINC000532364312 270215681 /nfs/dbraw/zinc/21/56/81/270215681.db2.gz VHAKXTUFOTVYBO-UHFFFAOYSA-N 2 2 281.363 3.030 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514537 270216553 /nfs/dbraw/zinc/21/65/53/270216553.db2.gz DMSQFVOBLQKJLM-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514537 270216554 /nfs/dbraw/zinc/21/65/54/270216554.db2.gz DMSQFVOBLQKJLM-YCPHGPKFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000348276265 274212248 /nfs/dbraw/zinc/21/22/48/274212248.db2.gz DPJBZLZPWLCMKD-SUMWQHHRSA-N 2 2 276.399 3.301 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000348276264 274212735 /nfs/dbraw/zinc/21/27/35/274212735.db2.gz DPJBZLZPWLCMKD-GUYCJALGSA-N 2 2 276.399 3.301 20 0 CGADLP C[C@@H]([NH2+]C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020086013 274243858 /nfs/dbraw/zinc/24/38/58/274243858.db2.gz ZPTUYNCTDFXCOX-CYBMUJFWSA-N 2 2 255.365 3.466 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248621838 287775023 /nfs/dbraw/zinc/77/50/23/287775023.db2.gz AYVGFOFFYCFUJI-JHNDHUHGSA-N 2 2 260.425 3.456 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000335781524 275065555 /nfs/dbraw/zinc/06/55/55/275065555.db2.gz CSJLQVNTBYKVHW-XUJLQICISA-N 2 2 274.408 3.264 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423185430 275069154 /nfs/dbraw/zinc/06/91/54/275069154.db2.gz JJSVQDDWDHGALB-CYBMUJFWSA-N 2 2 264.372 3.098 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543916 275071090 /nfs/dbraw/zinc/07/10/90/275071090.db2.gz CMAZLAQJYJHOLY-CXAGYDPISA-N 2 2 283.419 3.277 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000374189763 276099704 /nfs/dbraw/zinc/09/97/04/276099704.db2.gz SNUMYBGRMFWRPL-IRXDYDNUSA-N 2 2 289.467 3.348 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000037979293 276152166 /nfs/dbraw/zinc/15/21/66/276152166.db2.gz MCBWNAIVFLEODE-HNNXBMFYSA-N 2 2 294.439 3.437 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000233478243 276173944 /nfs/dbraw/zinc/17/39/44/276173944.db2.gz RXECRXCUXIUTPX-VNQPRFMTSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000233478243 276173945 /nfs/dbraw/zinc/17/39/45/276173945.db2.gz RXECRXCUXIUTPX-VNQPRFMTSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129684609 276174598 /nfs/dbraw/zinc/17/45/98/276174598.db2.gz FEGKFYLQSDPOGV-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000129684609 276174600 /nfs/dbraw/zinc/17/46/00/276174600.db2.gz FEGKFYLQSDPOGV-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338690914 276175208 /nfs/dbraw/zinc/17/52/08/276175208.db2.gz VNRMQZHOHMBPCH-NRSFXHEJSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338690914 276175209 /nfs/dbraw/zinc/17/52/09/276175209.db2.gz VNRMQZHOHMBPCH-NRSFXHEJSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453241709 276262088 /nfs/dbraw/zinc/26/20/88/276262088.db2.gz ZJWJIFBMMQEKAC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453241709 276262089 /nfs/dbraw/zinc/26/20/89/276262089.db2.gz ZJWJIFBMMQEKAC-JKSUJKDBSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC1(C)C ZINC000417351570 276287451 /nfs/dbraw/zinc/28/74/51/276287451.db2.gz SDTIJJJIRCWFJI-UPJWGTAASA-N 2 2 261.413 3.071 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC1(C)C ZINC000417351570 276287452 /nfs/dbraw/zinc/28/74/52/276287452.db2.gz SDTIJJJIRCWFJI-UPJWGTAASA-N 2 2 261.413 3.071 20 0 CGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000354195092 276334245 /nfs/dbraw/zinc/33/42/45/276334245.db2.gz YRMVVSLHGUTKBR-SJORKVTESA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278591811 287899616 /nfs/dbraw/zinc/89/96/16/287899616.db2.gz ZPTHSAWEPJQMPX-GJZGRUSLSA-N 2 2 292.492 3.459 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000510716247 276865995 /nfs/dbraw/zinc/86/59/95/276865995.db2.gz FDFCLAVFTNSQOY-IPMKNSEASA-N 2 2 286.463 3.328 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423463516 287932341 /nfs/dbraw/zinc/93/23/41/287932341.db2.gz LHCCMJXRHSZFFA-FZMZJTMJSA-N 2 2 282.815 3.189 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)C1 ZINC000292784677 277072522 /nfs/dbraw/zinc/07/25/22/277072522.db2.gz MCDNRZUPZBTNGF-CQSZACIVSA-N 2 2 299.340 3.023 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(C(F)(F)F)cc[nH+]3)C2)C1 ZINC000292784677 277072523 /nfs/dbraw/zinc/07/25/23/277072523.db2.gz MCDNRZUPZBTNGF-CQSZACIVSA-N 2 2 299.340 3.023 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423386230 277293880 /nfs/dbraw/zinc/29/38/80/277293880.db2.gz JDRPQZFUMXBPKV-NHYWBVRUSA-N 2 2 266.816 3.379 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CS1 ZINC000488416372 277821793 /nfs/dbraw/zinc/82/17/93/277821793.db2.gz IMQLRHHUHPBMCU-WCVJEAGWSA-N 2 2 284.513 3.369 20 0 CGADLP Cc1cc(Br)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000395208369 288007203 /nfs/dbraw/zinc/00/72/03/288007203.db2.gz ZRJVLTLFRDRQEN-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cc(Br)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000395208369 288007205 /nfs/dbraw/zinc/00/72/05/288007205.db2.gz ZRJVLTLFRDRQEN-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000515203585 278282489 /nfs/dbraw/zinc/28/24/89/278282489.db2.gz PTCDFJWLDCDVIQ-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000515203585 278282491 /nfs/dbraw/zinc/28/24/91/278282491.db2.gz PTCDFJWLDCDVIQ-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000312459474 278308211 /nfs/dbraw/zinc/30/82/11/278308211.db2.gz CAOHJLXIFIWKMF-NRUUGDAUSA-N 2 2 288.313 3.068 20 0 CGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000312459474 278308214 /nfs/dbraw/zinc/30/82/14/278308214.db2.gz CAOHJLXIFIWKMF-NRUUGDAUSA-N 2 2 288.313 3.068 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000397867991 288033100 /nfs/dbraw/zinc/03/31/00/288033100.db2.gz IFJGVNAAKBGKDI-IRXDYDNUSA-N 2 2 272.436 3.397 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000397866239 288033163 /nfs/dbraw/zinc/03/31/63/288033163.db2.gz HMDYUYLBYABXAS-UHFFFAOYSA-N 2 2 278.827 3.270 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000482248263 288049558 /nfs/dbraw/zinc/04/95/58/288049558.db2.gz WRKFVOMWDLMOFX-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C1CCCCC1 ZINC000482248263 288049559 /nfs/dbraw/zinc/04/95/59/288049559.db2.gz WRKFVOMWDLMOFX-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480634168 279021922 /nfs/dbraw/zinc/02/19/22/279021922.db2.gz ZULBTOIGENZDKY-IIDMSEBBSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480634168 279021923 /nfs/dbraw/zinc/02/19/23/279021923.db2.gz ZULBTOIGENZDKY-IIDMSEBBSA-N 2 2 272.436 3.241 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000217509245 279205559 /nfs/dbraw/zinc/20/55/59/279205559.db2.gz SHWAAAPUSVHJNJ-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000217509245 279205560 /nfs/dbraw/zinc/20/55/60/279205560.db2.gz SHWAAAPUSVHJNJ-HIFRSBDPSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000490226866 288117492 /nfs/dbraw/zinc/11/74/92/288117492.db2.gz HMSYSXSBPFKDLC-JVPBZIDWSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000490226866 288117495 /nfs/dbraw/zinc/11/74/95/288117495.db2.gz HMSYSXSBPFKDLC-JVPBZIDWSA-N 2 2 284.447 3.445 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)c2ccccc21)[NH+](C)C ZINC000038087910 279352234 /nfs/dbraw/zinc/35/22/34/279352234.db2.gz LZMNIDFVNMLMQM-CJNGLKHVSA-N 2 2 260.425 3.339 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000517714168 288133152 /nfs/dbraw/zinc/13/31/52/288133152.db2.gz YQMNOGFDRMHRBA-DYVFJYSZSA-N 2 2 286.444 3.156 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000521847389 288140343 /nfs/dbraw/zinc/14/03/43/288140343.db2.gz XZAGJJKXIXILCO-ZWKOTPCHSA-N 2 2 272.436 3.248 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cnc2ccsc2c1 ZINC000427882976 279550515 /nfs/dbraw/zinc/55/05/15/279550515.db2.gz CNERXBFFNAJICI-AAEUAGOBSA-N 2 2 298.415 3.158 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(OC(C)C)CC2)c[nH+]1 ZINC000527509388 288173599 /nfs/dbraw/zinc/17/35/99/288173599.db2.gz XJIBMICIGWJGSN-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633201 288178774 /nfs/dbraw/zinc/17/87/74/288178774.db2.gz TXAFWTSJFWORDA-QZHFEQFPSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527633201 288178775 /nfs/dbraw/zinc/17/87/75/288178775.db2.gz TXAFWTSJFWORDA-QZHFEQFPSA-N 2 2 284.447 3.285 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CCC2 ZINC000527665695 288185825 /nfs/dbraw/zinc/18/58/25/288185825.db2.gz HUYKBVPXUKGCRY-UKMLZYKCSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000300413290 280011188 /nfs/dbraw/zinc/01/11/88/280011188.db2.gz ZVKFZSNHTNMZEJ-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000300413290 280011189 /nfs/dbraw/zinc/01/11/89/280011189.db2.gz ZVKFZSNHTNMZEJ-QPSCCSFWSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000527725622 288193162 /nfs/dbraw/zinc/19/31/62/288193162.db2.gz LADITVGYIKDDPB-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000527725622 288193167 /nfs/dbraw/zinc/19/31/67/288193167.db2.gz LADITVGYIKDDPB-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC12CC2 ZINC000527851910 288197328 /nfs/dbraw/zinc/19/73/28/288197328.db2.gz NLLMYEQYAXFJHW-TZMCWYRMSA-N 2 2 285.366 3.290 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@H]1CC12CC2 ZINC000527851714 288197416 /nfs/dbraw/zinc/19/74/16/288197416.db2.gz LTTAHLVUZNYADB-CHWSQXEVSA-N 2 2 269.392 3.274 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1OC ZINC000037213784 280190376 /nfs/dbraw/zinc/19/03/76/280190376.db2.gz JBHVFKULUDFTKY-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1OC ZINC000037213784 280190378 /nfs/dbraw/zinc/19/03/78/280190378.db2.gz JBHVFKULUDFTKY-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437073268 280229850 /nfs/dbraw/zinc/22/98/50/280229850.db2.gz FYPZERNCNFEFIZ-WCFLWFBJSA-N 2 2 278.362 3.036 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437073268 280229852 /nfs/dbraw/zinc/22/98/52/280229852.db2.gz FYPZERNCNFEFIZ-WCFLWFBJSA-N 2 2 278.362 3.036 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1F ZINC000423380334 280332403 /nfs/dbraw/zinc/33/24/03/280332403.db2.gz YKUSFMUWTORGCM-ZANVPECISA-N 2 2 258.768 3.113 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529532661 288259032 /nfs/dbraw/zinc/25/90/32/288259032.db2.gz UBZHQBFLPSYEGG-KRWDZBQOSA-N 2 2 294.402 3.337 20 0 CGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000529532661 288259034 /nfs/dbraw/zinc/25/90/34/288259034.db2.gz UBZHQBFLPSYEGG-KRWDZBQOSA-N 2 2 294.402 3.337 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836750 280950878 /nfs/dbraw/zinc/95/08/78/280950878.db2.gz RYMPKWLNGGPHJA-UBHSHLNASA-N 2 2 298.377 3.469 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc12 ZINC000530179465 288296219 /nfs/dbraw/zinc/29/62/19/288296219.db2.gz YFXOMELJCUFTFA-GOSISDBHSA-N 2 2 296.414 3.223 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(C(F)F)CC1)CCC2 ZINC000442783169 281550376 /nfs/dbraw/zinc/55/03/76/281550376.db2.gz PMZUVIRRRRNAHT-MOKVOYLWSA-N 2 2 297.393 3.482 20 0 CGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531713741 288342080 /nfs/dbraw/zinc/34/20/80/288342080.db2.gz NWXFUZQQWSVQOP-MRXNPFEDSA-N 2 2 288.460 3.297 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCC2 ZINC000531728950 288344221 /nfs/dbraw/zinc/34/42/21/288344221.db2.gz QXEUBUOJHJZAPF-KDOFPFPSSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCC2 ZINC000531728950 288344223 /nfs/dbraw/zinc/34/42/23/288344223.db2.gz QXEUBUOJHJZAPF-KDOFPFPSSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532474851 288363626 /nfs/dbraw/zinc/36/36/26/288363626.db2.gz OZSQTQXEIHONHX-DFMBRWPFSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)o1 ZINC000532474851 288363627 /nfs/dbraw/zinc/36/36/27/288363627.db2.gz OZSQTQXEIHONHX-DFMBRWPFSA-N 2 2 276.424 3.221 20 0 CGADLP COCC[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167874816 292672540 /nfs/dbraw/zinc/67/25/40/292672540.db2.gz RPRMSOSMCCRLDR-GJZGRUSLSA-N 2 2 278.440 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000548859596 289025861 /nfs/dbraw/zinc/02/58/61/289025861.db2.gz FAUKNFNHTRCGHI-WRNCNIFXSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000548859596 289025863 /nfs/dbraw/zinc/02/58/63/289025863.db2.gz FAUKNFNHTRCGHI-WRNCNIFXSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572732 289122988 /nfs/dbraw/zinc/12/29/88/289122988.db2.gz JLLAVAMQJFTNTJ-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572732 289122991 /nfs/dbraw/zinc/12/29/91/289122991.db2.gz JLLAVAMQJFTNTJ-WFASDCNBSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000552146598 289168394 /nfs/dbraw/zinc/16/83/94/289168394.db2.gz PQRGSKDBQAEYMW-XOYOTBSWSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000552146598 289168398 /nfs/dbraw/zinc/16/83/98/289168398.db2.gz PQRGSKDBQAEYMW-XOYOTBSWSA-N 2 2 290.426 3.377 20 0 CGADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000554348741 289273494 /nfs/dbraw/zinc/27/34/94/289273494.db2.gz FPVJSCOEOSYDQR-JKSUJKDBSA-N 2 2 294.508 3.126 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000555525734 289347824 /nfs/dbraw/zinc/34/78/24/289347824.db2.gz LKEDBOGUECSJOV-MRXNPFEDSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H](CCCC[NH3+])Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000312905113 289460652 /nfs/dbraw/zinc/46/06/52/289460652.db2.gz JWHGPHOGNLADFI-CQSZACIVSA-N 2 2 276.428 3.001 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000560530529 289601879 /nfs/dbraw/zinc/60/18/79/289601879.db2.gz PXDGVXKNXJTBNU-IRXDYDNUSA-N 2 2 269.392 3.397 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000560530530 289602062 /nfs/dbraw/zinc/60/20/62/289602062.db2.gz PXDGVXKNXJTBNU-SJORKVTESA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000020127009 289958099 /nfs/dbraw/zinc/95/80/99/289958099.db2.gz OSROWKOAPOCYFZ-LBPRGKRZSA-N 2 2 286.341 3.452 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427885202 295217318 /nfs/dbraw/zinc/21/73/18/295217318.db2.gz ILXKTUKEIIYYFJ-YJBOKZPZSA-N 2 2 299.418 3.193 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000516199893 295240642 /nfs/dbraw/zinc/24/06/42/295240642.db2.gz YEKIDBYDTDUMNH-QGTPRVQTSA-N 2 2 290.451 3.466 20 0 CGADLP COc1ccc([C@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)cc1 ZINC000423327911 295244418 /nfs/dbraw/zinc/24/44/18/295244418.db2.gz NGZFDVSYXWIUPP-GOSISDBHSA-N 2 2 296.414 3.256 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360444 300236267 /nfs/dbraw/zinc/23/62/67/300236267.db2.gz WEVRQNYQEIJXKE-MKVSYHDVSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424360444 300236269 /nfs/dbraw/zinc/23/62/69/300236269.db2.gz WEVRQNYQEIJXKE-MKVSYHDVSA-N 2 2 262.441 3.028 20 0 CGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CC[NH3+] ZINC000423176700 301157832 /nfs/dbraw/zinc/15/78/32/301157832.db2.gz CQFWGOAMFVGIJQ-HNNXBMFYSA-N 2 2 276.424 3.055 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CSC[C@@H]1C)[NH+](C)C ZINC000449268559 302209141 /nfs/dbraw/zinc/20/91/41/302209141.db2.gz HSLBOZHVEQGYLP-OTRWWLKZSA-N 2 2 292.492 3.327 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000248075468 302247518 /nfs/dbraw/zinc/24/75/18/302247518.db2.gz MXKYBMWZJHOHDC-ARFHVFGLSA-N 2 2 275.440 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000248075468 302247520 /nfs/dbraw/zinc/24/75/20/302247520.db2.gz MXKYBMWZJHOHDC-ARFHVFGLSA-N 2 2 275.440 3.159 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000155933899 321772035 /nfs/dbraw/zinc/77/20/35/321772035.db2.gz YWEBBBYVJDCNJF-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000563622558 322004508 /nfs/dbraw/zinc/00/45/08/322004508.db2.gz HFROSYZXUTWSCX-KZNAEPCWSA-N 2 2 290.426 3.174 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000563622558 322004511 /nfs/dbraw/zinc/00/45/11/322004511.db2.gz HFROSYZXUTWSCX-KZNAEPCWSA-N 2 2 290.426 3.174 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000564316336 322026779 /nfs/dbraw/zinc/02/67/79/322026779.db2.gz BBGLFWKJYIFEEF-KKUMJFAQSA-N 2 2 284.513 3.371 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000564316336 322026781 /nfs/dbraw/zinc/02/67/81/322026781.db2.gz BBGLFWKJYIFEEF-KKUMJFAQSA-N 2 2 284.513 3.371 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000564317882 322026807 /nfs/dbraw/zinc/02/68/07/322026807.db2.gz LJMXLNOKDPEBNA-CABCVRRESA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000564317882 322026808 /nfs/dbraw/zinc/02/68/08/322026808.db2.gz LJMXLNOKDPEBNA-CABCVRRESA-N 2 2 275.440 3.426 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000564316335 322026894 /nfs/dbraw/zinc/02/68/94/322026894.db2.gz BBGLFWKJYIFEEF-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000564316335 322026897 /nfs/dbraw/zinc/02/68/97/322026897.db2.gz BBGLFWKJYIFEEF-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)c2ccccc21 ZINC000566062399 322102075 /nfs/dbraw/zinc/10/20/75/322102075.db2.gz CVXQWBBXBWACPJ-IEBWSBKVSA-N 2 2 293.414 3.195 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000566092694 322104184 /nfs/dbraw/zinc/10/41/84/322104184.db2.gz ISQVLBVOHWBDGR-RYRKJORJSA-N 2 2 299.393 3.170 20 0 CGADLP Cc1[nH+]ccn1CCCNc1[nH+]ccc2cc(F)ccc21 ZINC000566150017 322106661 /nfs/dbraw/zinc/10/66/61/322106661.db2.gz UIEKJBQHVNXZSX-UHFFFAOYSA-N 2 2 284.338 3.381 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942882 322143988 /nfs/dbraw/zinc/14/39/88/322143988.db2.gz RPLUZPNJPYRIDU-JSGCOSHPSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942882 322143991 /nfs/dbraw/zinc/14/39/91/322143991.db2.gz RPLUZPNJPYRIDU-JSGCOSHPSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942882 322143992 /nfs/dbraw/zinc/14/39/92/322143992.db2.gz RPLUZPNJPYRIDU-JSGCOSHPSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942882 322143994 /nfs/dbraw/zinc/14/39/94/322143994.db2.gz RPLUZPNJPYRIDU-JSGCOSHPSA-N 2 2 295.496 3.213 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000567141239 322151786 /nfs/dbraw/zinc/15/17/86/322151786.db2.gz AXQQDGRLMHSHQK-QGZVFWFLSA-N 2 2 269.392 3.094 20 0 CGADLP Cc1cccn2cc(Cn3c[nH+]c4c3C[C@@H](C)[C@H](C)C4)[nH+]c12 ZINC000567323686 322158887 /nfs/dbraw/zinc/15/88/87/322158887.db2.gz FZTXEZDOWRVUGD-ZIAGYGMSSA-N 2 2 294.402 3.258 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000567639142 322171792 /nfs/dbraw/zinc/17/17/92/322171792.db2.gz YJIXEFLHYCTISR-UONOGXRCSA-N 2 2 264.413 3.028 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000567749995 322176055 /nfs/dbraw/zinc/17/60/55/322176055.db2.gz CZBYILLBXFOUCI-SJLPKXTDSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749995 322176058 /nfs/dbraw/zinc/17/60/58/322176058.db2.gz CZBYILLBXFOUCI-SJLPKXTDSA-N 2 2 295.430 3.464 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000568165473 322195386 /nfs/dbraw/zinc/19/53/86/322195386.db2.gz ODTSYHNVIAVLSC-HFTQHKIXSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000568165473 322195389 /nfs/dbraw/zinc/19/53/89/322195389.db2.gz ODTSYHNVIAVLSC-HFTQHKIXSA-N 2 2 281.403 3.313 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000569335983 322243959 /nfs/dbraw/zinc/24/39/59/322243959.db2.gz KVHDOTORABFTSJ-QMTMVMCOSA-N 2 2 296.414 3.475 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccc(C)cc2C)n1C ZINC000569379913 322245700 /nfs/dbraw/zinc/24/57/00/322245700.db2.gz VTMPMGCYMGMBHT-CQSZACIVSA-N 2 2 271.408 3.066 20 0 CGADLP C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000569634703 322252558 /nfs/dbraw/zinc/25/25/58/322252558.db2.gz YYXOWRXGIVFVQL-KXBFYZLASA-N 2 2 295.430 3.181 20 0 CGADLP C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000569634703 322252560 /nfs/dbraw/zinc/25/25/60/322252560.db2.gz YYXOWRXGIVFVQL-KXBFYZLASA-N 2 2 295.430 3.181 20 0 CGADLP CCCc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)o1 ZINC000570562568 322276542 /nfs/dbraw/zinc/27/65/42/322276542.db2.gz YOHJJRPOZXDDAQ-DOTOQJQBSA-N 2 2 299.418 3.210 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000570642507 322278678 /nfs/dbraw/zinc/27/86/78/322278678.db2.gz USTNMNDJSFMWLM-UHFFFAOYSA-N 2 2 289.810 3.064 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742278 322281299 /nfs/dbraw/zinc/28/12/99/322281299.db2.gz CAGDWZKGHNGDEO-SZMVWBNQSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccccc2)C2CC2)n1C ZINC000571061665 322289079 /nfs/dbraw/zinc/28/90/79/322289079.db2.gz BPWYMWVGIVFPSU-QGZVFWFLSA-N 2 2 269.392 3.012 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]1CCCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000571097790 322290051 /nfs/dbraw/zinc/29/00/51/322290051.db2.gz ZFOTZRDYLBYJRH-HXUWFJFHSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]1CCCC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000571097790 322290053 /nfs/dbraw/zinc/29/00/53/322290053.db2.gz ZFOTZRDYLBYJRH-HXUWFJFHSA-N 2 2 298.474 3.352 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571578340 322302268 /nfs/dbraw/zinc/30/22/68/322302268.db2.gz ISBZVALPMCUGNC-ZOCIIQOWSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571578340 322302270 /nfs/dbraw/zinc/30/22/70/322302270.db2.gz ISBZVALPMCUGNC-ZOCIIQOWSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571578340 322302271 /nfs/dbraw/zinc/30/22/71/322302271.db2.gz ISBZVALPMCUGNC-ZOCIIQOWSA-N 2 2 284.447 3.405 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571578340 322302273 /nfs/dbraw/zinc/30/22/73/322302273.db2.gz ISBZVALPMCUGNC-ZOCIIQOWSA-N 2 2 284.447 3.405 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCN(c3[nH+]ccc4cc(F)ccc43)C2)C1 ZINC000573086727 322369093 /nfs/dbraw/zinc/36/90/93/322369093.db2.gz KQGPCJNVORMJEF-SFHVURJKSA-N 2 2 299.393 3.296 20 0 CGADLP C[N@H+]1CCC[C@]2(CCN(c3[nH+]ccc4cc(F)ccc43)C2)C1 ZINC000573086727 322369095 /nfs/dbraw/zinc/36/90/95/322369095.db2.gz KQGPCJNVORMJEF-SFHVURJKSA-N 2 2 299.393 3.296 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000573483870 322389743 /nfs/dbraw/zinc/38/97/43/322389743.db2.gz QWEPYJGQVORYDT-MSOLQXFVSA-N 2 2 282.387 3.052 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397735372 329389701 /nfs/dbraw/zinc/38/97/01/329389701.db2.gz GPWXYDHSEXOUJC-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000423415020 533709965 /nfs/dbraw/zinc/70/99/65/533709965.db2.gz DBRPPSSXMWYBGF-KUHUBIRLSA-N 2 2 296.414 3.233 20 0 CGADLP COCC[NH+]1CCC(Nc2[nH+]ccc3c(C)cccc32)CC1 ZINC000576153829 335161462 /nfs/dbraw/zinc/16/14/62/335161462.db2.gz NRLCJUSNCDTFEO-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP CC1(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000576208988 335170341 /nfs/dbraw/zinc/17/03/41/335170341.db2.gz YRDOQCVWCZFDTQ-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000576208988 335170342 /nfs/dbraw/zinc/17/03/42/335170342.db2.gz YRDOQCVWCZFDTQ-SFHVURJKSA-N 2 2 272.436 3.431 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000576411025 335200858 /nfs/dbraw/zinc/20/08/58/335200858.db2.gz DGNPXWMYAJWGRK-PBHICJAKSA-N 2 2 296.418 3.026 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000576411025 335200860 /nfs/dbraw/zinc/20/08/60/335200860.db2.gz DGNPXWMYAJWGRK-PBHICJAKSA-N 2 2 296.418 3.026 20 0 CGADLP Cc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)o1 ZINC000577026242 335283613 /nfs/dbraw/zinc/28/36/13/335283613.db2.gz UDHDKYPDYIIRBA-UHFFFAOYSA-N 2 2 258.365 3.056 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590867 335375390 /nfs/dbraw/zinc/37/53/90/335375390.db2.gz HBLNPXJEGMPICN-DZGCQCFKSA-N 2 2 285.391 3.390 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577765114 335399051 /nfs/dbraw/zinc/39/90/51/335399051.db2.gz FMMWNIQKKLOPKQ-GJZGRUSLSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577765114 335399052 /nfs/dbraw/zinc/39/90/52/335399052.db2.gz FMMWNIQKKLOPKQ-GJZGRUSLSA-N 2 2 269.392 3.279 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccoc1 ZINC000178294814 335425070 /nfs/dbraw/zinc/42/50/70/335425070.db2.gz JYQUCGJAZRVZKS-CYBMUJFWSA-N 2 2 262.397 3.337 20 0 CGADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000181637844 335775987 /nfs/dbraw/zinc/77/59/87/335775987.db2.gz VKKHVUJYKXXXTD-OAHLLOKOSA-N 2 2 279.334 3.148 20 0 CGADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)C[NH+](C)C ZINC000383588487 336114474 /nfs/dbraw/zinc/11/44/74/336114474.db2.gz NKBVAEAUIJCWTA-JTQLQIEISA-N 2 2 275.223 3.281 20 0 CGADLP CC/C=C\C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000384804011 336131395 /nfs/dbraw/zinc/13/13/95/336131395.db2.gz YYNIAJWNCYDIHY-YWEYNIOJSA-N 2 2 255.365 3.237 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386072842 336165890 /nfs/dbraw/zinc/16/58/90/336165890.db2.gz FSQRUXDVZHWKQT-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423386519 533774602 /nfs/dbraw/zinc/77/46/02/533774602.db2.gz LJCKEQKRKZRQBT-XJKSGUPXSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423378537 533889096 /nfs/dbraw/zinc/88/90/96/533889096.db2.gz GBPZRCXFWKMWNS-AAEUAGOBSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1F ZINC000423235094 533897468 /nfs/dbraw/zinc/89/74/68/533897468.db2.gz GGEKUBAGRVNCTC-LRDDRELGSA-N 2 2 258.340 3.176 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc2ccccc2c1 ZINC000423356021 533992271 /nfs/dbraw/zinc/99/22/71/533992271.db2.gz GITBRPUMNFBOPZ-SUNYJGFJSA-N 2 2 268.404 3.488 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1csc(Cl)c1 ZINC000423356004 533993145 /nfs/dbraw/zinc/99/31/45/533993145.db2.gz GHJKEXSPRHTRKE-WCABBAIRSA-N 2 2 258.818 3.050 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cn1 ZINC000423268213 533994432 /nfs/dbraw/zinc/99/44/32/533994432.db2.gz ULFUYGOEWQZCKD-XHDPSFHLSA-N 2 2 281.831 3.293 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)oc2cc1C ZINC000415032721 534092459 /nfs/dbraw/zinc/09/24/59/534092459.db2.gz GKXXSHDBPDFENM-MRXNPFEDSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCCCCC1 ZINC000157391501 534253265 /nfs/dbraw/zinc/25/32/65/534253265.db2.gz FPQUWXQNZHXGBK-HNNXBMFYSA-N 2 2 278.415 3.222 20 0 CGADLP FC(F)(F)C1CC[NH+](C2CC(Nc3cccc[nH+]3)C2)CC1 ZINC000369533023 534380454 /nfs/dbraw/zinc/38/04/54/534380454.db2.gz RHGXDWCVHIKWED-UHFFFAOYSA-N 2 2 299.340 3.299 20 0 CGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844346 534464411 /nfs/dbraw/zinc/46/44/11/534464411.db2.gz KSHWJKQNTFVLSP-CQSZACIVSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc2c1 ZINC000423237889 534474856 /nfs/dbraw/zinc/47/48/56/534474856.db2.gz QIRQXXCRMKOUFC-JSGCOSHPSA-N 2 2 258.365 3.144 20 0 CGADLP c1ccc(N2CCC([NH2+]C3(C4CCC4)CCC3)CC2)[nH+]c1 ZINC000414177070 534493189 /nfs/dbraw/zinc/49/31/89/534493189.db2.gz JLJUKGSLKXNIFP-UHFFFAOYSA-N 2 2 285.435 3.363 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCS2 ZINC000423545024 534501640 /nfs/dbraw/zinc/50/16/40/534501640.db2.gz DLXJSQVAPHDMEX-OCCSQVGLSA-N 2 2 280.412 3.094 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)c1cccnc1 ZINC000184990483 521159940 /nfs/dbraw/zinc/15/99/40/521159940.db2.gz DAVIDKAVMAKYIQ-SJORKVTESA-N 2 2 275.440 3.387 20 0 CGADLP Cc1cnc(C[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000449183610 534555917 /nfs/dbraw/zinc/55/59/17/534555917.db2.gz LAUNWZIUSDQVLB-UHFFFAOYSA-N 2 2 269.458 3.050 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000156572843 522087095 /nfs/dbraw/zinc/08/70/95/522087095.db2.gz ZXQDPCJLCJRAAI-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000156572843 522087108 /nfs/dbraw/zinc/08/71/08/522087108.db2.gz ZXQDPCJLCJRAAI-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427850719 534697860 /nfs/dbraw/zinc/69/78/60/534697860.db2.gz JCMXACKYIVRMNQ-RDJZCZTQSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000449033248 534711171 /nfs/dbraw/zinc/71/11/71/534711171.db2.gz ZGZQDUPTKQPYQI-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000449033248 534711178 /nfs/dbraw/zinc/71/11/78/534711178.db2.gz ZGZQDUPTKQPYQI-MRXNPFEDSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151523321 525358782 /nfs/dbraw/zinc/35/87/82/525358782.db2.gz CTOBKUPBRFSPNQ-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423335643 534864085 /nfs/dbraw/zinc/86/40/85/534864085.db2.gz UBHBFDQTLQSSPK-ZJUUUORDSA-N 2 2 293.411 3.255 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000086725225 525683492 /nfs/dbraw/zinc/68/34/92/525683492.db2.gz GOUFETLNJLKNNG-SCZZXKLOSA-N 2 2 259.180 3.006 20 0 CGADLP CC(C)(C)SCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000367109337 526603731 /nfs/dbraw/zinc/60/37/31/526603731.db2.gz WVUZVIYVXRDGJI-UHFFFAOYSA-N 2 2 267.442 3.121 20 0 CGADLP CC(C)(C)c1csc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)n1 ZINC000420357513 526834407 /nfs/dbraw/zinc/83/44/07/526834407.db2.gz DRBLGIGGTKZFBT-ZDUSSCGKSA-N 2 2 295.496 3.438 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155641985 526965676 /nfs/dbraw/zinc/96/56/76/526965676.db2.gz KBVNKHJMGKUFQX-AWEZNQCLSA-N 2 2 291.782 3.040 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000368099561 527876219 /nfs/dbraw/zinc/87/62/19/527876219.db2.gz GBSDMVOBYPSKRB-HDMKZQKVSA-N 2 2 295.430 3.439 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccccc1 ZINC000368099561 527876220 /nfs/dbraw/zinc/87/62/20/527876220.db2.gz GBSDMVOBYPSKRB-HDMKZQKVSA-N 2 2 295.430 3.439 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(C)c1 ZINC000449045997 527899566 /nfs/dbraw/zinc/89/95/66/527899566.db2.gz JTBNCFJSKSRNOZ-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cccc(C)c1 ZINC000449045997 527899572 /nfs/dbraw/zinc/89/95/72/527899572.db2.gz JTBNCFJSKSRNOZ-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(C)c1 ZINC000449045997 527899579 /nfs/dbraw/zinc/89/95/79/527899579.db2.gz JTBNCFJSKSRNOZ-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(C)c1 ZINC000449045997 527899584 /nfs/dbraw/zinc/89/95/84/527899584.db2.gz JTBNCFJSKSRNOZ-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000414197029 527993688 /nfs/dbraw/zinc/99/36/88/527993688.db2.gz PBGKQRWDJLNLPI-ZOWXZIJZSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000414197029 527993690 /nfs/dbraw/zinc/99/36/90/527993690.db2.gz PBGKQRWDJLNLPI-ZOWXZIJZSA-N 2 2 266.816 3.331 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449244467 528119831 /nfs/dbraw/zinc/11/98/31/528119831.db2.gz SRMXXRHXLGYTKG-UHFFFAOYSA-N 2 2 270.376 3.174 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449244467 528119836 /nfs/dbraw/zinc/11/98/36/528119836.db2.gz SRMXXRHXLGYTKG-UHFFFAOYSA-N 2 2 270.376 3.174 20 0 CGADLP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000365269542 528154331 /nfs/dbraw/zinc/15/43/31/528154331.db2.gz CZWJDQPEEKCAAO-IKGGRYGDSA-N 2 2 293.455 3.097 20 0 CGADLP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000365269542 528154337 /nfs/dbraw/zinc/15/43/37/528154337.db2.gz CZWJDQPEEKCAAO-IKGGRYGDSA-N 2 2 293.455 3.097 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000359709854 528204490 /nfs/dbraw/zinc/20/44/90/528204490.db2.gz BYKRFBYOUOVBAR-GFCCVEGCSA-N 2 2 281.831 3.260 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000423401598 528208525 /nfs/dbraw/zinc/20/85/25/528208525.db2.gz RBEYALFLRORMLN-QWRGUYRKSA-N 2 2 270.804 3.125 20 0 CGADLP CCC[C@H]([NH2+]CC[NH2+]CCOC)c1ccc(Cl)cc1 ZINC000423323149 528220349 /nfs/dbraw/zinc/22/03/49/528220349.db2.gz OKHAQVOJCKGFFH-HNNXBMFYSA-N 2 2 284.831 3.007 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423236529 528221930 /nfs/dbraw/zinc/22/19/30/528221930.db2.gz HMJOLILBYKBUPD-SJORKVTESA-N 2 2 269.392 3.212 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358222961 528296331 /nfs/dbraw/zinc/29/63/31/528296331.db2.gz ISCKAMDAXDUCIX-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358222961 528296339 /nfs/dbraw/zinc/29/63/39/528296339.db2.gz ISCKAMDAXDUCIX-DOMZBBRYSA-N 2 2 296.842 3.169 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000358151824 528314809 /nfs/dbraw/zinc/31/48/09/528314809.db2.gz GUJQUYUSCZGNFV-FRRDWIJNSA-N 2 2 281.469 3.400 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000358151824 528314815 /nfs/dbraw/zinc/31/48/15/528314815.db2.gz GUJQUYUSCZGNFV-FRRDWIJNSA-N 2 2 281.469 3.400 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423252207 528333110 /nfs/dbraw/zinc/33/31/10/528333110.db2.gz XLUJZSZITGRVCG-OAHLLOKOSA-N 2 2 250.386 3.018 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423386971 528420942 /nfs/dbraw/zinc/42/09/42/528420942.db2.gz SFTKEZFLVREWRE-AGIUHOORSA-N 2 2 291.464 3.376 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000423384585 528424114 /nfs/dbraw/zinc/42/41/14/528424114.db2.gz QDEGWTWYTPKRDJ-BXUZGUMPSA-N 2 2 254.805 3.379 20 0 CGADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)Cc1ccsc1 ZINC000414760060 528507025 /nfs/dbraw/zinc/50/70/25/528507025.db2.gz PVHYHRBYSFTXRU-ZDUSSCGKSA-N 2 2 268.470 3.389 20 0 CGADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)Cc1ccsc1 ZINC000414760060 528507033 /nfs/dbraw/zinc/50/70/33/528507033.db2.gz PVHYHRBYSFTXRU-ZDUSSCGKSA-N 2 2 268.470 3.389 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000423305182 528512506 /nfs/dbraw/zinc/51/25/06/528512506.db2.gz BHHRLPGNONYLOD-ZDUSSCGKSA-N 2 2 286.366 3.328 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000423307618 528515861 /nfs/dbraw/zinc/51/58/61/528515861.db2.gz HMGOUABTBFAHFK-CYBMUJFWSA-N 2 2 290.407 3.482 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423525348 528571889 /nfs/dbraw/zinc/57/18/89/528571889.db2.gz PIYQTAFUGCPWJK-HOTGVXAUSA-N 2 2 296.842 3.005 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423238809 528589311 /nfs/dbraw/zinc/58/93/11/528589311.db2.gz JNTVNWFUBZRTTM-DLBZAZTESA-N 2 2 269.392 3.068 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367438530 528596141 /nfs/dbraw/zinc/59/61/41/528596141.db2.gz NNUDLGISJMYBIO-CQSZACIVSA-N 2 2 299.418 3.469 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368266198 528651916 /nfs/dbraw/zinc/65/19/16/528651916.db2.gz XINLCTRFWCFGQO-INIZCTEOSA-N 2 2 283.419 3.255 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368266198 528651920 /nfs/dbraw/zinc/65/19/20/528651920.db2.gz XINLCTRFWCFGQO-INIZCTEOSA-N 2 2 283.419 3.255 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000365471735 528670042 /nfs/dbraw/zinc/67/00/42/528670042.db2.gz ZAJPJLWVVGGZGP-AWEZNQCLSA-N 2 2 295.496 3.258 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000365471735 528670047 /nfs/dbraw/zinc/67/00/47/528670047.db2.gz ZAJPJLWVVGGZGP-AWEZNQCLSA-N 2 2 295.496 3.258 20 0 CGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427104290 528702412 /nfs/dbraw/zinc/70/24/12/528702412.db2.gz MUWFABFKNILIGO-NVXWUHKLSA-N 2 2 288.435 3.049 20 0 CGADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427104290 528702416 /nfs/dbraw/zinc/70/24/16/528702416.db2.gz MUWFABFKNILIGO-NVXWUHKLSA-N 2 2 288.435 3.049 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423298836 528822364 /nfs/dbraw/zinc/82/23/64/528822364.db2.gz OXTRXBOKWRSHFB-DZGCQCFKSA-N 2 2 280.387 3.147 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436251472 528824891 /nfs/dbraw/zinc/82/48/91/528824891.db2.gz IXJYOENTGBWPHC-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436251472 528824895 /nfs/dbraw/zinc/82/48/95/528824895.db2.gz IXJYOENTGBWPHC-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427855324 528875131 /nfs/dbraw/zinc/87/51/31/528875131.db2.gz SDBFYLAXNANKAB-RBSFLKMASA-N 2 2 261.413 3.146 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423287715 528954040 /nfs/dbraw/zinc/95/40/40/528954040.db2.gz NZPSDBYKRXNUCR-CQSZACIVSA-N 2 2 284.831 3.135 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423304548 528957068 /nfs/dbraw/zinc/95/70/68/528957068.db2.gz YYMCEYQBHYTAGP-TZMCWYRMSA-N 2 2 280.460 3.115 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423301638 528957306 /nfs/dbraw/zinc/95/73/06/528957306.db2.gz UGAGAUUETKIHCO-QMTHXVAHSA-N 2 2 256.340 3.133 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368103050 529022749 /nfs/dbraw/zinc/02/27/49/529022749.db2.gz RRTOHBBWXLCXJW-LSDHHAIUSA-N 2 2 269.392 3.398 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368103050 529022755 /nfs/dbraw/zinc/02/27/55/529022755.db2.gz RRTOHBBWXLCXJW-LSDHHAIUSA-N 2 2 269.392 3.398 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427856383 529126114 /nfs/dbraw/zinc/12/61/14/529126114.db2.gz VXKDRWSJZCFJOO-WBVHZDCISA-N 2 2 269.392 3.185 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1Br ZINC000423314461 529178498 /nfs/dbraw/zinc/17/84/98/529178498.db2.gz HHMPZRQLCWZZIV-UONOGXRCSA-N 2 2 297.240 3.227 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCCC[NH2+]1 ZINC000423411639 529186036 /nfs/dbraw/zinc/18/60/36/529186036.db2.gz GCUVIZJQBSBHSW-SJLPKXTDSA-N 2 2 287.451 3.055 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000367368964 529189137 /nfs/dbraw/zinc/18/91/37/529189137.db2.gz YQNBFICHMHKVOR-MRXNPFEDSA-N 2 2 269.392 3.460 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000414225533 529203962 /nfs/dbraw/zinc/20/39/62/529203962.db2.gz SEYJIFRFJGMBHR-IAOVAPTHSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000414225533 529203965 /nfs/dbraw/zinc/20/39/65/529203965.db2.gz SEYJIFRFJGMBHR-IAOVAPTHSA-N 2 2 258.409 3.210 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423241706 529247567 /nfs/dbraw/zinc/24/75/67/529247567.db2.gz VGJJVBRVVUFQEY-JSGCOSHPSA-N 2 2 264.438 3.201 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000125248474 535459188 /nfs/dbraw/zinc/45/91/88/535459188.db2.gz HTPWVACHNNDIIT-BBRMVZONSA-N 2 2 276.424 3.319 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000125248474 535459191 /nfs/dbraw/zinc/45/91/91/535459191.db2.gz HTPWVACHNNDIIT-BBRMVZONSA-N 2 2 276.424 3.319 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093692755 535596945 /nfs/dbraw/zinc/59/69/45/535596945.db2.gz JIJLIODKHMCJIG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000093692755 535596952 /nfs/dbraw/zinc/59/69/52/535596952.db2.gz JIJLIODKHMCJIG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCCOc2cccc(C)c2C)[C@@H](C)C1 ZINC000486809592 535784035 /nfs/dbraw/zinc/78/40/35/535784035.db2.gz GEBFZQBAEIVANT-RDJZCZTQSA-N 2 2 290.451 3.002 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCCOc2cccc(C)c2C)[C@@H](C)C1 ZINC000486809592 535784038 /nfs/dbraw/zinc/78/40/38/535784038.db2.gz GEBFZQBAEIVANT-RDJZCZTQSA-N 2 2 290.451 3.002 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000516562145 535805797 /nfs/dbraw/zinc/80/57/97/535805797.db2.gz VFVRBMCNJYJFGR-CABCVRRESA-N 2 2 258.365 3.053 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000450716804 536096912 /nfs/dbraw/zinc/09/69/12/536096912.db2.gz KJGVWEFAICELON-MRXNPFEDSA-N 2 2 297.446 3.427 20 0 CGADLP CCc1cnccc1[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000450716804 536096915 /nfs/dbraw/zinc/09/69/15/536096915.db2.gz KJGVWEFAICELON-MRXNPFEDSA-N 2 2 297.446 3.427 20 0 CGADLP Cl/C=C(/Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514002 573015200 /nfs/dbraw/zinc/01/52/00/573015200.db2.gz HMLLWQRHLMJZOT-AIDTXJDASA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(/Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749514002 573015206 /nfs/dbraw/zinc/01/52/06/573015206.db2.gz HMLLWQRHLMJZOT-AIDTXJDASA-N 2 2 289.250 3.254 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232460439 571805393 /nfs/dbraw/zinc/80/53/93/571805393.db2.gz BYKANFJREPZVKF-MRXNPFEDSA-N 2 2 254.377 3.072 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)s1 ZINC000045105698 571976024 /nfs/dbraw/zinc/97/60/24/571976024.db2.gz JNFIROIJNFLKHZ-LLVKDONJSA-N 2 2 278.425 3.087 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1C(C)(C)C1(C)C ZINC000746599743 572884042 /nfs/dbraw/zinc/88/40/42/572884042.db2.gz ARMGKZFDEWZLSL-ZDUSSCGKSA-N 2 2 298.434 3.428 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(F)n2)n1-c1ccccc1 ZINC000747925119 572955888 /nfs/dbraw/zinc/95/58/88/572955888.db2.gz DGJBPOIFJXJGRB-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP Cl/C=C(/Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514002 573015186 /nfs/dbraw/zinc/01/51/86/573015186.db2.gz HMLLWQRHLMJZOT-AIDTXJDASA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(/Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749514002 573015193 /nfs/dbraw/zinc/01/51/93/573015193.db2.gz HMLLWQRHLMJZOT-AIDTXJDASA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514007 573015531 /nfs/dbraw/zinc/01/55/31/573015531.db2.gz HMLLWQRHLMJZOT-CDDNCNDGSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749514007 573015539 /nfs/dbraw/zinc/01/55/39/573015539.db2.gz HMLLWQRHLMJZOT-CDDNCNDGSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749514007 573015542 /nfs/dbraw/zinc/01/55/42/573015542.db2.gz HMLLWQRHLMJZOT-CDDNCNDGSA-N 2 2 289.250 3.254 20 0 CGADLP Cl/C=C(\Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749514007 573015548 /nfs/dbraw/zinc/01/55/48/573015548.db2.gz HMLLWQRHLMJZOT-CDDNCNDGSA-N 2 2 289.250 3.254 20 0 CGADLP Oc1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000891845052 618335322 /nfs/dbraw/zinc/33/53/22/618335322.db2.gz NMRYFOMJXCECRA-UHFFFAOYSA-N 2 2 291.782 3.148 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000892034719 618496411 /nfs/dbraw/zinc/49/64/11/618496411.db2.gz SUCQWJBPVCBPCB-AWEZNQCLSA-N 2 2 278.440 3.269 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000892034719 618496413 /nfs/dbraw/zinc/49/64/13/618496413.db2.gz SUCQWJBPVCBPCB-AWEZNQCLSA-N 2 2 278.440 3.269 20 0 CGADLP C[NH2+]C1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000262051582 618568801 /nfs/dbraw/zinc/56/88/01/618568801.db2.gz ZPANDVORIKDIQK-GFCCVEGCSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1coc2ccccc12 ZINC000926451381 618687418 /nfs/dbraw/zinc/68/74/18/618687418.db2.gz ZDPFRAYXMFTJIE-RYUDHWBXSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cl)CC1 ZINC000926866503 618956593 /nfs/dbraw/zinc/95/65/93/618956593.db2.gz XTVBWESUBXVXES-ZFWWWQNUSA-N 2 2 289.810 3.374 20 0 CGADLP Cc1nc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)sc1C ZINC000893322292 619093692 /nfs/dbraw/zinc/09/36/92/619093692.db2.gz QMAZCFXJNQSPEE-UHFFFAOYSA-N 2 2 281.469 3.159 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000925681013 619129114 /nfs/dbraw/zinc/12/91/14/619129114.db2.gz MCXBSMWHHRNHQT-CYZMBNFOSA-N 2 2 287.234 3.248 20 0 CGADLP c1cc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2s1 ZINC000925714388 619160115 /nfs/dbraw/zinc/16/01/15/619160115.db2.gz YAAOPLDJYMNOOZ-CQSZACIVSA-N 2 2 272.417 3.276 20 0 CGADLP CCC1([NH3+])CC[NH+]([C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000925755872 619220675 /nfs/dbraw/zinc/22/06/75/619220675.db2.gz ICOCPYQRUDBIFB-OAHLLOKOSA-N 2 2 280.362 3.155 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000094371126 619244677 /nfs/dbraw/zinc/24/46/77/619244677.db2.gz FTPFKSNBASHCOR-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(F)cc1C ZINC000894472910 619545407 /nfs/dbraw/zinc/54/54/07/619545407.db2.gz WTPDQULEZAMHSD-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(F)cc1C ZINC000894472910 619545411 /nfs/dbraw/zinc/54/54/11/619545411.db2.gz WTPDQULEZAMHSD-UHFFFAOYSA-N 2 2 281.419 3.083 20 0 CGADLP CC(C)(C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111440 619734438 /nfs/dbraw/zinc/73/44/38/619734438.db2.gz PCIYJWADGDXMKO-HDJSIYSDSA-N 2 2 261.413 3.204 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(F)cc2)c2cccc[nH+]2)CC1 ZINC000895112101 619735876 /nfs/dbraw/zinc/73/58/76/619735876.db2.gz UWAHMTLFEQDUIC-QAQDUYKDSA-N 2 2 299.393 3.497 20 0 CGADLP CC[C@](C)(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OC ZINC000895706413 619873085 /nfs/dbraw/zinc/87/30/85/619873085.db2.gz KJBQHKOGFBSBGD-IAGOWNOFSA-N 2 2 287.407 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CC1(F)F ZINC000895706122 619873325 /nfs/dbraw/zinc/87/33/25/619873325.db2.gz IWAMRQXKDSQYAD-QEJZJMRPSA-N 2 2 291.345 3.258 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(F)cn1 ZINC000147754766 619889827 /nfs/dbraw/zinc/88/98/27/619889827.db2.gz AAKWJJCHZHITSV-WFASDCNBSA-N 2 2 290.386 3.183 20 0 CGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(C)c1 ZINC000896026032 619932770 /nfs/dbraw/zinc/93/27/70/619932770.db2.gz XDOIDTVWUKOTGN-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CCC[C@H](O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927021584 620562889 /nfs/dbraw/zinc/56/28/89/620562889.db2.gz NYTVGHSOZOEEHK-PBHICJAKSA-N 2 2 287.407 3.074 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(Cl)c1F ZINC000902406575 621292833 /nfs/dbraw/zinc/29/28/33/621292833.db2.gz OFYBBWXIYBDYBD-LLVKDONJSA-N 2 2 256.752 3.011 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(-c2ccncc2)c1 ZINC000902449202 621329106 /nfs/dbraw/zinc/32/91/06/621329106.db2.gz MPCHJZCRSUQZFX-KBXCAEBGSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000902471237 621341251 /nfs/dbraw/zinc/34/12/51/621341251.db2.gz KUPVXRVQILRQFZ-VUKOWNLVSA-N 2 2 293.414 3.292 20 0 CGADLP CCNc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000902533420 621365596 /nfs/dbraw/zinc/36/55/96/621365596.db2.gz VNZZDEUHRGDZEA-UHFFFAOYSA-N 2 2 287.451 3.225 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903016167 621518776 /nfs/dbraw/zinc/51/87/76/621518776.db2.gz IYCRJNFBGXJSDB-UNEWFSDZSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903055826 621545562 /nfs/dbraw/zinc/54/55/62/621545562.db2.gz CMLHGZBYWPTTAE-ZBFHGGJFSA-N 2 2 299.418 3.338 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC23CCCC3)c[nH+]1 ZINC000903076041 621558098 /nfs/dbraw/zinc/55/80/98/621558098.db2.gz IXXRUFVESPEVKA-QGZVFWFLSA-N 2 2 297.402 3.064 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]1C ZINC000903075372 621558435 /nfs/dbraw/zinc/55/84/35/621558435.db2.gz UUCODGGPHRABKC-QKPAOTATSA-N 2 2 263.429 3.324 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903071176 621569452 /nfs/dbraw/zinc/56/94/52/621569452.db2.gz FPWKENGIBJORCK-LBPRGKRZSA-N 2 2 261.344 3.271 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000903103584 621575840 /nfs/dbraw/zinc/57/58/40/621575840.db2.gz KIQUIMHLKZCABB-VSZNYVQBSA-N 2 2 295.430 3.482 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903223203 621633624 /nfs/dbraw/zinc/63/36/24/621633624.db2.gz XHKORXAMCGFKBL-UONOGXRCSA-N 2 2 281.469 3.119 20 0 CGADLP CC[N@@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)[C@H](C)C1 ZINC000903267175 621653791 /nfs/dbraw/zinc/65/37/91/621653791.db2.gz BDJUTMAXKCDYGZ-TZMCWYRMSA-N 2 2 259.397 3.101 20 0 CGADLP CC[N@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)[C@H](C)C1 ZINC000903267175 621653793 /nfs/dbraw/zinc/65/37/93/621653793.db2.gz BDJUTMAXKCDYGZ-TZMCWYRMSA-N 2 2 259.397 3.101 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1Br ZINC000903768943 621803830 /nfs/dbraw/zinc/80/38/30/621803830.db2.gz VOACAQPOMOTFPG-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1Br ZINC000903768943 621803831 /nfs/dbraw/zinc/80/38/31/621803831.db2.gz VOACAQPOMOTFPG-YPMHNXCESA-N 2 2 297.240 3.069 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903878819 621825195 /nfs/dbraw/zinc/82/51/95/621825195.db2.gz ZUBNHAAMEGFDRF-NSHDSACASA-N 2 2 296.361 3.410 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903878819 621825199 /nfs/dbraw/zinc/82/51/99/621825199.db2.gz ZUBNHAAMEGFDRF-NSHDSACASA-N 2 2 296.361 3.410 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])CC(F)F ZINC000903884127 621826607 /nfs/dbraw/zinc/82/66/07/621826607.db2.gz SIVOSSZSFOCUCL-ZDUSSCGKSA-N 2 2 274.330 3.019 20 0 CGADLP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])CC(F)F ZINC000903884127 621826609 /nfs/dbraw/zinc/82/66/09/621826609.db2.gz SIVOSSZSFOCUCL-ZDUSSCGKSA-N 2 2 274.330 3.019 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903893215 621827820 /nfs/dbraw/zinc/82/78/20/621827820.db2.gz SMKLFTNJJGFKOS-ZBFHGGJFSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903893215 621827822 /nfs/dbraw/zinc/82/78/22/621827822.db2.gz SMKLFTNJJGFKOS-ZBFHGGJFSA-N 2 2 282.378 3.023 20 0 CGADLP CC[N@H+](CCc1ccccn1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904313193 621904103 /nfs/dbraw/zinc/90/41/03/621904103.db2.gz SPJBVFRKZZCGOU-HNNXBMFYSA-N 2 2 277.456 3.100 20 0 CGADLP CC[N@@H+](CCc1ccccn1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904313193 621904106 /nfs/dbraw/zinc/90/41/06/621904106.db2.gz SPJBVFRKZZCGOU-HNNXBMFYSA-N 2 2 277.456 3.100 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000904374367 621914272 /nfs/dbraw/zinc/91/42/72/621914272.db2.gz RNDAHTSJKUKSMY-HOTGVXAUSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000904374367 621914277 /nfs/dbraw/zinc/91/42/77/621914277.db2.gz RNDAHTSJKUKSMY-HOTGVXAUSA-N 2 2 275.440 3.025 20 0 CGADLP c1ccc(CSCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904430669 621921045 /nfs/dbraw/zinc/92/10/45/621921045.db2.gz SJKRBAFQVBHOSZ-QGZVFWFLSA-N 2 2 290.476 3.138 20 0 CGADLP c1ccc(CSCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904430669 621921049 /nfs/dbraw/zinc/92/10/49/621921049.db2.gz SJKRBAFQVBHOSZ-QGZVFWFLSA-N 2 2 290.476 3.138 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906590019 622251506 /nfs/dbraw/zinc/25/15/06/622251506.db2.gz MMZCTTONATUJEI-HOTGVXAUSA-N 2 2 276.399 3.098 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906595938 622256521 /nfs/dbraw/zinc/25/65/21/622256521.db2.gz KHJXUBQBFIIMFY-IAGOWNOFSA-N 2 2 288.410 3.242 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924847319 622684938 /nfs/dbraw/zinc/68/49/38/622684938.db2.gz SOSMMYKQAOTJOW-ZDUSSCGKSA-N 2 2 294.414 3.446 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019942860 634399522 /nfs/dbraw/zinc/39/95/22/634399522.db2.gz FNEOIESVXYIDKW-ZFWWWQNUSA-N 2 2 264.413 3.225 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000182631575 625022726 /nfs/dbraw/zinc/02/27/26/625022726.db2.gz XTSUOAFZFJTDGO-UHFFFAOYSA-N 2 2 285.435 3.039 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000921794477 625877636 /nfs/dbraw/zinc/87/76/36/625877636.db2.gz MQOWDLMHTVMYKK-MELADBBJSA-N 2 2 279.453 3.024 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000921816595 625887917 /nfs/dbraw/zinc/88/79/17/625887917.db2.gz GLSOQTUSLLGOSD-ZIAGYGMSSA-N 2 2 281.831 3.006 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000774437381 626176853 /nfs/dbraw/zinc/17/68/53/626176853.db2.gz FVZVYDZUEPYZJS-RDJZCZTQSA-N 2 2 260.425 3.458 20 0 CGADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000774437381 626176856 /nfs/dbraw/zinc/17/68/56/626176856.db2.gz FVZVYDZUEPYZJS-RDJZCZTQSA-N 2 2 260.425 3.458 20 0 CGADLP COC1CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000753566935 626455657 /nfs/dbraw/zinc/45/56/57/626455657.db2.gz YOVKHXZPYVOMCD-MXWWQKGMSA-N 2 2 299.418 3.481 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000764889286 627231883 /nfs/dbraw/zinc/23/18/83/627231883.db2.gz LZXBSFPNXYVWOA-UONOGXRCSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1Cl ZINC000765040461 627237677 /nfs/dbraw/zinc/23/76/77/627237677.db2.gz WGKLTVFTSCIQND-AVGNSLFASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1Cl ZINC000765040461 627237678 /nfs/dbraw/zinc/23/76/78/627237678.db2.gz WGKLTVFTSCIQND-AVGNSLFASA-N 2 2 279.815 3.012 20 0 CGADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCOCC1 ZINC000765248408 627243496 /nfs/dbraw/zinc/24/34/96/627243496.db2.gz DATZSOBDQDKQQH-CVEARBPZSA-N 2 2 293.455 3.093 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1C ZINC000766272980 627310209 /nfs/dbraw/zinc/31/02/09/627310209.db2.gz MMCJDKFGXQNWIT-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1C ZINC000766272980 627310210 /nfs/dbraw/zinc/31/02/10/627310210.db2.gz MMCJDKFGXQNWIT-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000766271331 627310431 /nfs/dbraw/zinc/31/04/31/627310431.db2.gz DCPCWCPNABHCDB-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000766271331 627310433 /nfs/dbraw/zinc/31/04/33/627310433.db2.gz DCPCWCPNABHCDB-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000766437497 627331700 /nfs/dbraw/zinc/33/17/00/627331700.db2.gz CROLYZJYDUFORX-SJORKVTESA-N 2 2 290.476 3.009 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cnc1Cl ZINC000769190388 627530253 /nfs/dbraw/zinc/53/02/53/627530253.db2.gz UDWIGURNEADBGE-UHFFFAOYSA-N 2 2 290.798 3.146 20 0 CGADLP COCCC1(C[NH2+]C[C@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000780510842 628494273 /nfs/dbraw/zinc/49/42/73/628494273.db2.gz JVGOURKNMNUKQG-KRWDZBQOSA-N 2 2 296.499 3.437 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782755863 628662309 /nfs/dbraw/zinc/66/23/09/628662309.db2.gz WGPHDYOVEJFGEO-KRWDZBQOSA-N 2 2 290.451 3.084 20 0 CGADLP C[Si](C)(C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029622 628673781 /nfs/dbraw/zinc/67/37/81/628673781.db2.gz BFXWLIHTDWHIRA-UHFFFAOYSA-N 2 2 279.504 3.253 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806151499 629215500 /nfs/dbraw/zinc/21/55/00/629215500.db2.gz GGOATSUPWZZNQK-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000863481511 629586898 /nfs/dbraw/zinc/58/68/98/629586898.db2.gz FUWZYKSIQAMHOX-KRWDZBQOSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000796315746 629763186 /nfs/dbraw/zinc/76/31/86/629763186.db2.gz MEIPQUFGXZAYOF-JLIVMUMWSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000796315746 629763190 /nfs/dbraw/zinc/76/31/90/629763190.db2.gz MEIPQUFGXZAYOF-JLIVMUMWSA-N 2 2 280.362 3.052 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000796704339 629817600 /nfs/dbraw/zinc/81/76/00/629817600.db2.gz OAYZEUHNUOEHJH-GXTWGEPZSA-N 2 2 296.842 3.402 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000796704339 629817604 /nfs/dbraw/zinc/81/76/04/629817604.db2.gz OAYZEUHNUOEHJH-GXTWGEPZSA-N 2 2 296.842 3.402 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000797905946 630000615 /nfs/dbraw/zinc/00/06/15/630000615.db2.gz RWAVOECPEFRVSN-SJORKVTESA-N 2 2 267.376 3.151 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCC2 ZINC000800477614 630284233 /nfs/dbraw/zinc/28/42/33/630284233.db2.gz ZKDQQBHYKLLUFC-KBPBESRZSA-N 2 2 261.413 3.220 20 0 CGADLP CCC[C@H](C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000800977398 630316704 /nfs/dbraw/zinc/31/67/04/630316704.db2.gz QOZVTIYWWCAISU-AWEZNQCLSA-N 2 2 261.413 3.394 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303907 630395397 /nfs/dbraw/zinc/39/53/97/630395397.db2.gz VYVYDKFRJDVQDN-FZCLSBEQSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303907 630395399 /nfs/dbraw/zinc/39/53/99/630395399.db2.gz VYVYDKFRJDVQDN-FZCLSBEQSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000815558990 631795102 /nfs/dbraw/zinc/79/51/02/631795102.db2.gz UHSCHJJUXKOKJV-QWHCGFSZSA-N 2 2 261.344 3.070 20 0 CGADLP CC1=CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000816536592 632005611 /nfs/dbraw/zinc/00/56/11/632005611.db2.gz DHECAESWSOVHFO-HUUCEWRRSA-N 2 2 261.413 3.386 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000817887802 632228834 /nfs/dbraw/zinc/22/88/34/632228834.db2.gz FEZJZNGGGXMXBQ-SJORKVTESA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817951659 632247775 /nfs/dbraw/zinc/24/77/75/632247775.db2.gz IZZDDVDAHSOENF-PWSUYJOCSA-N 2 2 286.391 3.404 20 0 CGADLP Cc1nc(NC[C@H]2c3ccccc3C[N@H+]2C)c(C)c(C)[nH+]1 ZINC000866194892 633024889 /nfs/dbraw/zinc/02/48/89/633024889.db2.gz KXQWHUSWSAXTMC-INIZCTEOSA-N 2 2 282.391 3.000 20 0 CGADLP Cc1nc(NC[C@H]2c3ccccc3C[N@@H+]2C)c(C)c(C)[nH+]1 ZINC000866194892 633024892 /nfs/dbraw/zinc/02/48/92/633024892.db2.gz KXQWHUSWSAXTMC-INIZCTEOSA-N 2 2 282.391 3.000 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866242097 633041395 /nfs/dbraw/zinc/04/13/95/633041395.db2.gz KQTYBPZHNSDYCZ-CRAIPNDOSA-N 2 2 297.446 3.240 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866242097 633041399 /nfs/dbraw/zinc/04/13/99/633041399.db2.gz KQTYBPZHNSDYCZ-CRAIPNDOSA-N 2 2 297.446 3.240 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000872019025 633939925 /nfs/dbraw/zinc/93/99/25/633939925.db2.gz SEFYBTLQMMIJCB-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000872019025 633939930 /nfs/dbraw/zinc/93/99/30/633939930.db2.gz SEFYBTLQMMIJCB-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000872023841 633945045 /nfs/dbraw/zinc/94/50/45/633945045.db2.gz WCZJNXOBBQDFCJ-ZACQAIPSSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000872023841 633945046 /nfs/dbraw/zinc/94/50/46/633945046.db2.gz WCZJNXOBBQDFCJ-ZACQAIPSSA-N 2 2 294.483 3.331 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000872039780 633960354 /nfs/dbraw/zinc/96/03/54/633960354.db2.gz HHIWXVOHXFLYAE-VXGBXAGGSA-N 2 2 298.418 3.134 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872041902 633964786 /nfs/dbraw/zinc/96/47/86/633964786.db2.gz XGBTVIYUGIFPEA-RWMBFGLXSA-N 2 2 280.387 3.055 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000872144181 634064224 /nfs/dbraw/zinc/06/42/24/634064224.db2.gz WZYXCTMXDIHAQV-FOSCPWQOSA-N 2 2 288.313 3.013 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)co1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000872144181 634064234 /nfs/dbraw/zinc/06/42/34/634064234.db2.gz WZYXCTMXDIHAQV-FOSCPWQOSA-N 2 2 288.313 3.013 20 0 CGADLP C[N@H+](CC(F)F)C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872474157 634153367 /nfs/dbraw/zinc/15/33/67/634153367.db2.gz DZLNRCPYPGZGEX-UHFFFAOYSA-N 2 2 295.377 3.125 20 0 CGADLP C[N@@H+](CC(F)F)C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872474157 634153371 /nfs/dbraw/zinc/15/33/71/634153371.db2.gz DZLNRCPYPGZGEX-UHFFFAOYSA-N 2 2 295.377 3.125 20 0 CGADLP Cc1cc(C)c(CNc2cc[nH+]cc2C2CC2)c[nH+]1 ZINC000872565438 634169778 /nfs/dbraw/zinc/16/97/78/634169778.db2.gz JECYMFLIMYDBGO-UHFFFAOYSA-N 2 2 253.349 3.005 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)c2)nc1 ZINC000873230784 634292823 /nfs/dbraw/zinc/29/28/23/634292823.db2.gz YBEZFHPMLXZWRU-RTBURBONSA-N 2 2 293.414 3.123 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(Cl)c(F)c1 ZINC000877527916 635073620 /nfs/dbraw/zinc/07/36/20/635073620.db2.gz UFVKBEBCQSGZKK-UHFFFAOYSA-N 2 2 299.821 3.182 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(Cl)c(F)c1 ZINC000877527916 635073622 /nfs/dbraw/zinc/07/36/22/635073622.db2.gz UFVKBEBCQSGZKK-UHFFFAOYSA-N 2 2 299.821 3.182 20 0 CGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000877795651 635206545 /nfs/dbraw/zinc/20/65/45/635206545.db2.gz RGCWKSTZXCUZSC-UHFFFAOYSA-N 2 2 288.435 3.233 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000843069201 635557165 /nfs/dbraw/zinc/55/71/65/635557165.db2.gz PBZHUUZTZHNAPS-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000843069201 635557169 /nfs/dbraw/zinc/55/71/69/635557169.db2.gz PBZHUUZTZHNAPS-HIFRSBDPSA-N 2 2 298.352 3.247 20 0 CGADLP CCC(=O)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951153 635886633 /nfs/dbraw/zinc/88/66/33/635886633.db2.gz INPLKOOXPCQZEX-UHFFFAOYSA-N 2 2 280.456 3.086 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880136354 635921609 /nfs/dbraw/zinc/92/16/09/635921609.db2.gz KUCFMSDECOMDQG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880136354 635921611 /nfs/dbraw/zinc/92/16/11/635921611.db2.gz KUCFMSDECOMDQG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880136354 635921614 /nfs/dbraw/zinc/92/16/14/635921614.db2.gz KUCFMSDECOMDQG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880136354 635921616 /nfs/dbraw/zinc/92/16/16/635921616.db2.gz KUCFMSDECOMDQG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCC2CCOCC2)c2ccccc2)c[nH+]1 ZINC000880569048 636022569 /nfs/dbraw/zinc/02/25/69/636022569.db2.gz GXTIBDNRNDTTOY-GOSISDBHSA-N 2 2 299.418 3.031 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883222889 636596057 /nfs/dbraw/zinc/59/60/57/636596057.db2.gz CSUWTCACJHOBHV-TYNCELHUSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000883265574 636636434 /nfs/dbraw/zinc/63/64/34/636636434.db2.gz FQFUEHKNZLRTHT-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000883265574 636636438 /nfs/dbraw/zinc/63/64/38/636636438.db2.gz FQFUEHKNZLRTHT-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCC4(CCC4)O3)cc2)c[nH+]1 ZINC000883365112 636706403 /nfs/dbraw/zinc/70/64/03/636706403.db2.gz UKHNZMDOSSSTGW-QGZVFWFLSA-N 2 2 297.402 3.064 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386234 636727040 /nfs/dbraw/zinc/72/70/40/636727040.db2.gz BYNDAFBVWWKHJA-PVAVHDDUSA-N 2 2 269.392 3.403 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCOC1 ZINC000883387167 636728200 /nfs/dbraw/zinc/72/82/00/636728200.db2.gz SLDZRQAWBNNGJO-SQNIBIBYSA-N 2 2 299.418 3.029 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386910 636728827 /nfs/dbraw/zinc/72/88/27/636728827.db2.gz OOMCOXLNRMRTAY-NVXWUHKLSA-N 2 2 287.407 3.029 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCOC1 ZINC000883387165 636729627 /nfs/dbraw/zinc/72/96/27/636729627.db2.gz SLDZRQAWBNNGJO-FGTMMUONSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCOC1 ZINC000883388566 636729969 /nfs/dbraw/zinc/72/99/69/636729969.db2.gz XOHSMWGAJATKTP-CGTJXYLNSA-N 2 2 299.418 3.029 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883389616 636732928 /nfs/dbraw/zinc/73/29/28/636732928.db2.gz UVGKPTWSRJPBKK-SJORKVTESA-N 2 2 299.418 3.172 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438045 637062776 /nfs/dbraw/zinc/06/27/76/637062776.db2.gz CEGASKZIBZLNAT-LSDHHAIUSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438045 637062779 /nfs/dbraw/zinc/06/27/79/637062779.db2.gz CEGASKZIBZLNAT-LSDHHAIUSA-N 2 2 288.435 3.147 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885922482 637313159 /nfs/dbraw/zinc/31/31/59/637313159.db2.gz CKEDGDHKJXNLRX-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157662 637440808 /nfs/dbraw/zinc/44/08/08/637440808.db2.gz HXCFJCOXWBGGIO-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886157662 637440812 /nfs/dbraw/zinc/44/08/12/637440812.db2.gz HXCFJCOXWBGGIO-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC=C(Cl)Cl ZINC000851985865 637565746 /nfs/dbraw/zinc/56/57/46/637565746.db2.gz TZMRFZOHNQFQFS-UHFFFAOYSA-N 2 2 290.238 3.477 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC=C(Cl)Cl ZINC000851985865 637565761 /nfs/dbraw/zinc/56/57/61/637565761.db2.gz TZMRFZOHNQFQFS-UHFFFAOYSA-N 2 2 290.238 3.477 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000222554264 637802102 /nfs/dbraw/zinc/80/21/02/637802102.db2.gz MSSWGYMDZUJHQF-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924730801 638395633 /nfs/dbraw/zinc/39/56/33/638395633.db2.gz QYFBKKVSVMKUBW-INMHGKMJSA-N 2 2 295.471 3.217 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924852022 638414188 /nfs/dbraw/zinc/41/41/88/638414188.db2.gz HDPIJEFJGXJWJL-FZMZJTMJSA-N 2 2 281.831 3.042 20 0 CGADLP c1ccc(NCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)[nH+]c1 ZINC000924928501 638425409 /nfs/dbraw/zinc/42/54/09/638425409.db2.gz XDKLEQTUSFVSID-GOOCMWNKSA-N 2 2 291.464 3.290 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccns1)C(C)C ZINC000925196847 638473660 /nfs/dbraw/zinc/47/36/60/638473660.db2.gz OPMWZOAXHIBZME-CYBMUJFWSA-N 2 2 269.458 3.303 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000925303197 638493737 /nfs/dbraw/zinc/49/37/37/638493737.db2.gz MQTWNOPBMXIZQW-CQSZACIVSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccccc1 ZINC000925600875 638541800 /nfs/dbraw/zinc/54/18/00/638541800.db2.gz GADHVPFAYQYAQN-RKVPGOIHSA-N 2 2 284.403 3.132 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925663685 638562551 /nfs/dbraw/zinc/56/25/51/638562551.db2.gz WLKMXJQAMXKCPN-KUHUBIRLSA-N 2 2 293.414 3.389 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H](c1ccccc1)C1CC1)C2 ZINC000925749434 638594525 /nfs/dbraw/zinc/59/45/25/638594525.db2.gz XIJGUEFIWTWHOG-QGZVFWFLSA-N 2 2 299.443 3.111 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H](c1ccccc1)C1CC1)C2 ZINC000925749434 638594528 /nfs/dbraw/zinc/59/45/28/638594528.db2.gz XIJGUEFIWTWHOG-QGZVFWFLSA-N 2 2 299.443 3.111 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926175860 638729317 /nfs/dbraw/zinc/72/93/17/638729317.db2.gz SCPNKXDIGGITNO-FRRDWIJNSA-N 2 2 278.362 3.324 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926175860 638729321 /nfs/dbraw/zinc/72/93/21/638729321.db2.gz SCPNKXDIGGITNO-FRRDWIJNSA-N 2 2 278.362 3.324 20 0 CGADLP CSCCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926216083 638742844 /nfs/dbraw/zinc/74/28/44/638742844.db2.gz USSFZGQGUPWWMQ-GJZGRUSLSA-N 2 2 270.486 3.126 20 0 CGADLP CSCCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926216083 638742848 /nfs/dbraw/zinc/74/28/48/638742848.db2.gz USSFZGQGUPWWMQ-GJZGRUSLSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2[nH]1 ZINC000926223810 638746158 /nfs/dbraw/zinc/74/61/58/638746158.db2.gz FIIBMXQXYMPJLQ-OCCSQVGLSA-N 2 2 280.375 3.030 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746229 638806574 /nfs/dbraw/zinc/80/65/74/638806574.db2.gz QTTHGHGOQXQVBB-BZSNNMDCSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746229 638806575 /nfs/dbraw/zinc/80/65/75/638806575.db2.gz QTTHGHGOQXQVBB-BZSNNMDCSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1(Cl)CC1 ZINC000926866501 638819321 /nfs/dbraw/zinc/81/93/21/638819321.db2.gz XTVBWESUBXVXES-HIFRSBDPSA-N 2 2 289.810 3.374 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927010624 638830976 /nfs/dbraw/zinc/83/09/76/638830976.db2.gz AUNIEWLVXHJBTM-CRAIPNDOSA-N 2 2 299.418 3.482 20 0 CGADLP C[NH+](C)C1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929260325 638913334 /nfs/dbraw/zinc/91/33/34/638913334.db2.gz CDNXMNLUJCGKLK-HZPDHXFCSA-N 2 2 294.389 3.061 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC(C)=C(c3ccco3)C2)c(C)[nH+]1 ZINC000930350221 638992356 /nfs/dbraw/zinc/99/23/56/638992356.db2.gz HMJPATQAVGLXOR-UHFFFAOYSA-N 2 2 271.364 3.299 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000931350460 639138530 /nfs/dbraw/zinc/13/85/30/639138530.db2.gz LKPVBIMOUAAMRT-UHFFFAOYSA-N 2 2 280.843 3.299 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000931350706 639138836 /nfs/dbraw/zinc/13/88/36/639138836.db2.gz UWDKLPRYJXNEOU-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](Cc2ccccc2)C(C)C)c(C)[nH+]1 ZINC000931743057 639199010 /nfs/dbraw/zinc/19/90/10/639199010.db2.gz UOIVOLYMFNBFPG-INIZCTEOSA-N 2 2 271.408 3.383 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000094965517 640805826 /nfs/dbraw/zinc/80/58/26/640805826.db2.gz DZHQGKDLXARIEM-GFCCVEGCSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000094965517 640805830 /nfs/dbraw/zinc/80/58/30/640805830.db2.gz DZHQGKDLXARIEM-GFCCVEGCSA-N 2 2 293.480 3.015 20 0 CGADLP CCC[C@H](C)c1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250424350 805607193 /nfs/dbraw/zinc/60/71/93/805607193.db2.gz DRXBCXZCDNZEEU-ZDUSSCGKSA-N 2 2 286.423 3.218 20 0 CGADLP CC[NH+]1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC001250570575 805701727 /nfs/dbraw/zinc/70/17/27/805701727.db2.gz IHGWEZFYZRIZLP-UHFFFAOYSA-N 2 2 257.381 3.379 20 0 CGADLP Cc1c[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(N)c1 ZINC001156531227 805710143 /nfs/dbraw/zinc/71/01/43/805710143.db2.gz VDJNPDAOYCWNFV-QGZVFWFLSA-N 2 2 296.418 3.221 20 0 CGADLP CCN(CCn1cc[nH+]c1)c1[nH+]c(C)cc2ccccc21 ZINC001157462515 805818296 /nfs/dbraw/zinc/81/82/96/805818296.db2.gz MAAQFFQOXVTSRA-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP Cc1c(F)cc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158265495 805932711 /nfs/dbraw/zinc/93/27/11/805932711.db2.gz OMKJDUAWVVGYTQ-LRDDRELGSA-N 2 2 279.403 3.485 20 0 CGADLP CSCc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)c1 ZINC001158760093 805997946 /nfs/dbraw/zinc/99/79/46/805997946.db2.gz HJEUIUVHJXMBSB-UHFFFAOYSA-N 2 2 267.442 3.087 20 0 CGADLP Cc1ccc(O)c(Nc2ccc(C(C)(C)[NH3+])cc2)[nH+]1 ZINC001159170894 806055553 /nfs/dbraw/zinc/05/55/53/806055553.db2.gz RHGSJTOGVFXBBF-UHFFFAOYSA-N 2 2 257.337 3.033 20 0 CGADLP c1cc(Nc2cccc3c2CC[NH2+]C3)[nH+]c(C2CC2)c1 ZINC001159365693 806087785 /nfs/dbraw/zinc/08/77/85/806087785.db2.gz KSZCFZFARSUWFC-UHFFFAOYSA-N 2 2 265.360 3.348 20 0 CGADLP c1cc(Nc2ccc3c(c2)CC[NH2+]C3)[nH+]c(C2CC2)c1 ZINC001159366487 806088813 /nfs/dbraw/zinc/08/88/13/806088813.db2.gz ZGGMKLUNUJFZEP-UHFFFAOYSA-N 2 2 265.360 3.348 20 0 CGADLP Cc1cc(CC(C)C)[nH+]cc1NC1=CCC[NH2+]CC1 ZINC001159371557 806088895 /nfs/dbraw/zinc/08/88/95/806088895.db2.gz IDRJIYWAHRZXNT-UHFFFAOYSA-N 2 2 259.397 3.268 20 0 CGADLP Cc1cc(Nc2cccc3c2CC[NH2+]C3)ccc1[NH+](C)C ZINC001159548000 806119353 /nfs/dbraw/zinc/11/93/53/806119353.db2.gz PNZKJIMMXMIXAT-UHFFFAOYSA-N 2 2 281.403 3.450 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001159615855 806133551 /nfs/dbraw/zinc/13/35/51/806133551.db2.gz MVSYNZHIMIOEJJ-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP [NH3+]Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001159733402 806163387 /nfs/dbraw/zinc/16/33/87/806163387.db2.gz OGQGLQNTWSLFHB-UHFFFAOYSA-N 2 2 282.391 3.274 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2c1C ZINC001160473395 806277494 /nfs/dbraw/zinc/27/74/94/806277494.db2.gz YSDXLOSPLKPTHN-ZSOGYDGISA-N 2 2 299.422 3.002 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2c1C ZINC001160473395 806277500 /nfs/dbraw/zinc/27/75/00/806277500.db2.gz YSDXLOSPLKPTHN-ZSOGYDGISA-N 2 2 299.422 3.002 20 0 CGADLP Cc1nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])c(C)c(C)[nH+]1 ZINC001160665192 806292279 /nfs/dbraw/zinc/29/22/79/806292279.db2.gz JIUFATPGHQIMAT-ZDUSSCGKSA-N 2 2 298.434 3.003 20 0 CGADLP CSCc1cc[nH+]c(NCc2ccccc2C[NH3+])c1 ZINC001160907807 806319207 /nfs/dbraw/zinc/31/92/07/806319207.db2.gz AKIOCENMWVFEJI-UHFFFAOYSA-N 2 2 273.405 3.015 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001254499776 806421136 /nfs/dbraw/zinc/42/11/36/806421136.db2.gz ACGPHDSSFXMSGT-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001254499776 806421138 /nfs/dbraw/zinc/42/11/38/806421138.db2.gz ACGPHDSSFXMSGT-CYBMUJFWSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530584 806443458 /nfs/dbraw/zinc/44/34/58/806443458.db2.gz ZAORSIDYDMFLEY-CYBMUJFWSA-N 2 2 264.800 3.140 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530584 806443465 /nfs/dbraw/zinc/44/34/65/806443465.db2.gz ZAORSIDYDMFLEY-CYBMUJFWSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530584 806443472 /nfs/dbraw/zinc/44/34/72/806443472.db2.gz ZAORSIDYDMFLEY-CYBMUJFWSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530584 806443478 /nfs/dbraw/zinc/44/34/78/806443478.db2.gz ZAORSIDYDMFLEY-CYBMUJFWSA-N 2 2 264.800 3.140 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254840901 806495971 /nfs/dbraw/zinc/49/59/71/806495971.db2.gz PZYUREFINHRYSL-SFHVURJKSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254837127 806493407 /nfs/dbraw/zinc/49/34/07/806493407.db2.gz RLFJSYUUMCEORA-GOSISDBHSA-N 2 2 272.436 3.384 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254840782 806495439 /nfs/dbraw/zinc/49/54/39/806495439.db2.gz NYJSBNNDFDHKSS-AEFFLSMTSA-N 2 2 270.420 3.056 20 0 CGADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851854 806498240 /nfs/dbraw/zinc/49/82/40/806498240.db2.gz CGDTXNGYRLZZSZ-YOEHRIQHSA-N 2 2 270.420 3.090 20 0 CGADLP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851854 806498249 /nfs/dbraw/zinc/49/82/49/806498249.db2.gz CGDTXNGYRLZZSZ-YOEHRIQHSA-N 2 2 270.420 3.090 20 0 CGADLP COc1cc[nH+]c(C(C)(C)CNc2[nH+]cc(C)cc2C)c1 ZINC001162129726 806510407 /nfs/dbraw/zinc/51/04/07/806510407.db2.gz OILZEFKTFRVBAZ-UHFFFAOYSA-N 2 2 285.391 3.492 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001162392675 806575483 /nfs/dbraw/zinc/57/54/83/806575483.db2.gz RGRCIIGLAWTROR-ZIAGYGMSSA-N 2 2 259.328 3.056 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001162465145 806590936 /nfs/dbraw/zinc/59/09/36/806590936.db2.gz CYKOIXDIFXURFW-ZBFHGGJFSA-N 2 2 298.434 3.135 20 0 CGADLP CCCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001255314642 806605878 /nfs/dbraw/zinc/60/58/78/806605878.db2.gz PEZAKETYHBGRQL-HNNXBMFYSA-N 2 2 275.440 3.466 20 0 CGADLP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001255511377 806658440 /nfs/dbraw/zinc/65/84/40/806658440.db2.gz ZESINTZIHKWLSQ-BPCQOVAHSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)C1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001255511377 806658447 /nfs/dbraw/zinc/65/84/47/806658447.db2.gz ZESINTZIHKWLSQ-BPCQOVAHSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@H](CC(F)(F)F)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001255654358 806694294 /nfs/dbraw/zinc/69/42/94/806694294.db2.gz CLGWQRGMCZIUHH-LLVKDONJSA-N 2 2 296.352 3.226 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037154219 798860659 /nfs/dbraw/zinc/86/06/59/798860659.db2.gz QYOHRNFAWIUPDB-JKSUJKDBSA-N 2 2 290.451 3.177 20 0 CGADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000037156181 798860906 /nfs/dbraw/zinc/86/09/06/798860906.db2.gz QDWZETLHCKMMPI-INIZCTEOSA-N 2 2 287.407 3.096 20 0 CGADLP CCSC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072902526 798918958 /nfs/dbraw/zinc/91/89/58/798918958.db2.gz FEQPIMMXAMDSHL-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP CCSC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072902526 798918962 /nfs/dbraw/zinc/91/89/62/798918962.db2.gz FEQPIMMXAMDSHL-CQSZACIVSA-N 2 2 289.448 3.446 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000300416377 799204378 /nfs/dbraw/zinc/20/43/78/799204378.db2.gz JVCGSURJPXWKNR-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000300416377 799204364 /nfs/dbraw/zinc/20/43/64/799204364.db2.gz JVCGSURJPXWKNR-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000300416377 799204370 /nfs/dbraw/zinc/20/43/70/799204370.db2.gz JVCGSURJPXWKNR-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000300416377 799204374 /nfs/dbraw/zinc/20/43/74/799204374.db2.gz JVCGSURJPXWKNR-CVEARBPZSA-N 2 2 252.446 3.373 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000311020020 799223810 /nfs/dbraw/zinc/22/38/10/799223810.db2.gz LNARWQBGWBTNOJ-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000311020020 799223815 /nfs/dbraw/zinc/22/38/15/799223815.db2.gz LNARWQBGWBTNOJ-LLVKDONJSA-N 2 2 270.779 3.040 20 0 CGADLP CSC(C)(C)CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000385314150 799425208 /nfs/dbraw/zinc/42/52/08/799425208.db2.gz OIDOZRGKVLIUNF-CYBMUJFWSA-N 2 2 283.485 3.419 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC001163370937 806752742 /nfs/dbraw/zinc/75/27/42/806752742.db2.gz NACKSVAYLQKVPE-GXTWGEPZSA-N 2 2 279.453 3.334 20 0 CGADLP CSc1cc[nH+]c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1 ZINC001163370937 806752746 /nfs/dbraw/zinc/75/27/46/806752746.db2.gz NACKSVAYLQKVPE-GXTWGEPZSA-N 2 2 279.453 3.334 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001255789104 806752750 /nfs/dbraw/zinc/75/27/50/806752750.db2.gz PCZONJKEKXSUBN-QGZVFWFLSA-N 2 2 298.474 3.344 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001255789104 806752756 /nfs/dbraw/zinc/75/27/56/806752756.db2.gz PCZONJKEKXSUBN-QGZVFWFLSA-N 2 2 298.474 3.344 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255840035 806764088 /nfs/dbraw/zinc/76/40/88/806764088.db2.gz ZXCYOEQBNAFWEA-ZBFHGGJFSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001255840035 806764090 /nfs/dbraw/zinc/76/40/90/806764090.db2.gz ZXCYOEQBNAFWEA-ZBFHGGJFSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001255861124 806773369 /nfs/dbraw/zinc/77/33/69/806773369.db2.gz SIJGYCSFIAPWSD-HZPDHXFCSA-N 2 2 292.442 3.467 20 0 CGADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001255883013 806782627 /nfs/dbraw/zinc/78/26/27/806782627.db2.gz PDWUZUYEKVCACB-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001255883013 806782632 /nfs/dbraw/zinc/78/26/32/806782632.db2.gz PDWUZUYEKVCACB-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000700542702 799873426 /nfs/dbraw/zinc/87/34/26/799873426.db2.gz YECYOUYTVIFKCE-ZFWWWQNUSA-N 2 2 253.349 3.242 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC001255945618 806792697 /nfs/dbraw/zinc/79/26/97/806792697.db2.gz LRDWQNIULUJPKT-CZUORRHYSA-N 2 2 294.414 3.359 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001255969215 806803138 /nfs/dbraw/zinc/80/31/38/806803138.db2.gz VNOFAGSKCAZFNA-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001255969215 806803143 /nfs/dbraw/zinc/80/31/43/806803143.db2.gz VNOFAGSKCAZFNA-HZPDHXFCSA-N 2 2 294.483 3.331 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2sccc2Cl)CC1 ZINC000714759680 800128840 /nfs/dbraw/zinc/12/88/40/800128840.db2.gz RHSOSADYTXPAHX-UHFFFAOYSA-N 2 2 258.818 3.105 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000714754242 800128850 /nfs/dbraw/zinc/12/88/50/800128850.db2.gz POYJUYKIGXQBQR-UHFFFAOYSA-N 2 2 297.240 3.152 20 0 CGADLP CCCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716250650 800166318 /nfs/dbraw/zinc/16/63/18/800166318.db2.gz GKOAFJLMOGGADN-HNNXBMFYSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@H+](C/C=C/c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256080780 806814176 /nfs/dbraw/zinc/81/41/76/806814176.db2.gz BCYLKZFQALSEEW-VMPITWQZSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256080780 806814184 /nfs/dbraw/zinc/81/41/84/806814184.db2.gz BCYLKZFQALSEEW-VMPITWQZSA-N 2 2 270.420 3.258 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720834367 800268068 /nfs/dbraw/zinc/26/80/68/800268068.db2.gz JDQWKCHNGSFXCX-GXFFZTMASA-N 2 2 284.350 3.018 20 0 CGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720834367 800268074 /nfs/dbraw/zinc/26/80/74/800268074.db2.gz JDQWKCHNGSFXCX-GXFFZTMASA-N 2 2 284.350 3.018 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722104043 800308681 /nfs/dbraw/zinc/30/86/81/800308681.db2.gz PKWUXPMLWRDLAW-LLVKDONJSA-N 2 2 298.217 3.411 20 0 CGADLP C[NH+]1CCC([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001256200085 806846749 /nfs/dbraw/zinc/84/67/49/806846749.db2.gz MGKIRRDEFQMBQH-UHFFFAOYSA-N 2 2 266.816 3.259 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2C2CC[NH+](C)CC2)c1 ZINC001256207870 806848484 /nfs/dbraw/zinc/84/84/84/806848484.db2.gz XDEDWKLQZCNDAZ-SFHVURJKSA-N 2 2 288.435 3.316 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2C2CC[NH+](C)CC2)c1 ZINC001256207870 806848493 /nfs/dbraw/zinc/84/84/93/806848493.db2.gz XDEDWKLQZCNDAZ-SFHVURJKSA-N 2 2 288.435 3.316 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001256207544 806849182 /nfs/dbraw/zinc/84/91/82/806849182.db2.gz MGBPIGMPBZEDLQ-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001256207544 806849191 /nfs/dbraw/zinc/84/91/91/806849191.db2.gz MGBPIGMPBZEDLQ-INIZCTEOSA-N 2 2 262.372 3.057 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC001256562263 806916740 /nfs/dbraw/zinc/91/67/40/806916740.db2.gz PFUARWXZDCREKD-AWEZNQCLSA-N 2 2 275.440 3.304 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001256572412 806919938 /nfs/dbraw/zinc/91/99/38/806919938.db2.gz GWVYNCXTNDKAIX-UHFFFAOYSA-N 2 2 288.435 3.013 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001256572412 806919945 /nfs/dbraw/zinc/91/99/45/806919945.db2.gz GWVYNCXTNDKAIX-UHFFFAOYSA-N 2 2 288.435 3.013 20 0 CGADLP CC(C)(C)c1ccc(N2CCC[C@](C)(C[NH3+])CC2)[nH+]c1 ZINC001164250620 806923915 /nfs/dbraw/zinc/92/39/15/806923915.db2.gz TVCKCHCDGVCBQP-KRWDZBQOSA-N 2 2 275.440 3.334 20 0 CGADLP CC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165069763 806968130 /nfs/dbraw/zinc/96/81/30/806968130.db2.gz UHQDGJYIVIRARZ-UHFFFAOYSA-N 2 2 290.455 3.003 20 0 CGADLP Fc1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC001116509773 802368803 /nfs/dbraw/zinc/36/88/03/802368803.db2.gz BKPFCIRUNXGAKV-UHFFFAOYSA-N 2 2 287.382 3.245 20 0 CGADLP c1cc2cc(NCC3C[NH+](Cc4ccccc4)C3)[nH+]cc2[nH]1 ZINC001165413874 807002341 /nfs/dbraw/zinc/00/23/41/807002341.db2.gz XZVGHBARBJOFPV-UHFFFAOYSA-N 2 2 292.386 3.107 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306635 812945508 /nfs/dbraw/zinc/94/55/08/812945508.db2.gz YNLZGIDLQHUWKT-PWSUYJOCSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205306635 812945516 /nfs/dbraw/zinc/94/55/16/812945516.db2.gz YNLZGIDLQHUWKT-PWSUYJOCSA-N 2 2 284.806 3.204 20 0 CGADLP c1cc([C@@H]2CCC[NH2+]2)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001245357084 803710911 /nfs/dbraw/zinc/71/09/11/803710911.db2.gz NRPBFDOZGQHCIS-KRWDZBQOSA-N 2 2 279.387 3.174 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C)c1F ZINC001137679981 803757773 /nfs/dbraw/zinc/75/77/73/803757773.db2.gz GNPBKQGNZNPHAW-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)c1F ZINC001137679981 803757779 /nfs/dbraw/zinc/75/77/79/803757779.db2.gz GNPBKQGNZNPHAW-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245895659 804023885 /nfs/dbraw/zinc/02/38/85/804023885.db2.gz DAXKGPBQVQALCZ-UHFFFAOYSA-N 2 2 274.327 3.402 20 0 CGADLP CC[N@H+](Cc1cccc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001138986628 804100719 /nfs/dbraw/zinc/10/07/19/804100719.db2.gz QOVXDQMILMYTIC-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[N@@H+](Cc1cccc(OC(C)C)c1)C1CC[NH+](C)CC1 ZINC001138986628 804100723 /nfs/dbraw/zinc/10/07/23/804100723.db2.gz QOVXDQMILMYTIC-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246090096 804122323 /nfs/dbraw/zinc/12/23/23/804122323.db2.gz IQXQTQNEIOOQKO-IKJBURDNSA-N 2 2 290.426 3.078 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246112714 804145152 /nfs/dbraw/zinc/14/51/52/804145152.db2.gz MGIUHWZQRONKAM-UMVBOHGHSA-N 2 2 296.455 3.284 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246141032 804163648 /nfs/dbraw/zinc/16/36/48/804163648.db2.gz JEHFUZFWBCPUDT-LLLHUVSDSA-N 2 2 258.409 3.258 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246151377 804170593 /nfs/dbraw/zinc/17/05/93/804170593.db2.gz YJVJXAISTRJMEN-BBWFWOEESA-N 3 2 295.515 3.055 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246152115 804170923 /nfs/dbraw/zinc/17/09/23/804170923.db2.gz WTBNTXXKZSTDJZ-GMXABZIVSA-N 2 2 299.245 3.266 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1cccc2ccccc21 ZINC001246155630 804172270 /nfs/dbraw/zinc/17/22/70/804172270.db2.gz WNMDBKAGEVRJDB-UMVBOHGHSA-N 2 2 254.377 3.241 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001246194769 804201658 /nfs/dbraw/zinc/20/16/58/804201658.db2.gz OMHZWXQKPNZERR-QWHCGFSZSA-N 2 2 292.389 3.475 20 0 CGADLP Cc1c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cccc1C(F)(F)F ZINC001246231764 804225883 /nfs/dbraw/zinc/22/58/83/804225883.db2.gz GNYXYESIYAYUIH-GXFFZTMASA-N 2 2 286.341 3.244 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246237014 804231062 /nfs/dbraw/zinc/23/10/62/804231062.db2.gz WCQHQRXETNERJM-SNVBAGLBSA-N 2 2 288.769 3.238 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246286019 804259508 /nfs/dbraw/zinc/25/95/08/804259508.db2.gz HBLZLAIBJHGPRC-MAZHCROVSA-N 2 2 264.388 3.397 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246287779 804259796 /nfs/dbraw/zinc/25/97/96/804259796.db2.gz KUYAXRDRIJSYIS-HZPDHXFCSA-N 2 2 264.388 3.399 20 0 CGADLP Cc1cc(O)cc(C)c1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001139715830 804265846 /nfs/dbraw/zinc/26/58/46/804265846.db2.gz OCGIKPGMMDIRFB-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP Cc1cc(O)cc(C)c1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001139715830 804265850 /nfs/dbraw/zinc/26/58/50/804265850.db2.gz OCGIKPGMMDIRFB-UHFFFAOYSA-N 2 2 288.435 3.068 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246309797 804270736 /nfs/dbraw/zinc/27/07/36/804270736.db2.gz XUMMTOWFEKCMKN-DJIMGWMZSA-N 2 2 260.425 3.485 20 0 CGADLP Cc1ccc(Cl)c(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246341989 804294438 /nfs/dbraw/zinc/29/44/38/804294438.db2.gz DCBGFTDGYSOUGH-NEPJUHHUSA-N 2 2 284.806 3.060 20 0 CGADLP Cc1ccc(Cl)c(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246341997 804295189 /nfs/dbraw/zinc/29/51/89/804295189.db2.gz DCBGFTDGYSOUGH-RYUDHWBXSA-N 2 2 284.806 3.060 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C[NH2+]1 ZINC001246363298 804304984 /nfs/dbraw/zinc/30/49/84/804304984.db2.gz CPLBJHFCFMPSBW-SWLSCSKDSA-N 2 2 278.827 3.449 20 0 CGADLP Fc1ccc([C@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246401420 804322271 /nfs/dbraw/zinc/32/22/71/804322271.db2.gz DLLSYWFQGNIMER-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C[NH2+]1 ZINC001246413185 804325058 /nfs/dbraw/zinc/32/50/58/804325058.db2.gz OBEIQKSXJSQAKA-GDBMZVCRSA-N 2 2 297.402 3.104 20 0 CGADLP Fc1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246411264 804325582 /nfs/dbraw/zinc/32/55/82/804325582.db2.gz TXHHLTJBDNBIKC-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCC2 ZINC001246503156 804363974 /nfs/dbraw/zinc/36/39/74/804363974.db2.gz YRYRSUSVKAEENN-MLGOLLRUSA-N 2 2 280.362 3.074 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246502360 804364560 /nfs/dbraw/zinc/36/45/60/804364560.db2.gz VLMNWEICUVSMEK-MLGOLLRUSA-N 2 2 278.827 3.449 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC001246509869 804366943 /nfs/dbraw/zinc/36/69/43/804366943.db2.gz JWRDEFYUAQSAHE-SHFYGJNESA-N 2 2 276.424 3.109 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@@H](C)CCCC(C)C)c1 ZINC001246513545 804369545 /nfs/dbraw/zinc/36/95/45/804369545.db2.gz XZEFRAYTRXOFBE-WMLDXEAASA-N 2 2 278.440 3.499 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559343 804407954 /nfs/dbraw/zinc/40/79/54/804407954.db2.gz PBLKJHIBOLGBGI-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246559343 804407960 /nfs/dbraw/zinc/40/79/60/804407960.db2.gz PBLKJHIBOLGBGI-SWLSCSKDSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246564634 804413121 /nfs/dbraw/zinc/41/31/21/804413121.db2.gz FNIBDMRPFDBWDG-NFAWXSAZSA-N 2 2 280.843 3.330 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246564634 804413125 /nfs/dbraw/zinc/41/31/25/804413125.db2.gz FNIBDMRPFDBWDG-NFAWXSAZSA-N 2 2 280.843 3.330 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574271 804421321 /nfs/dbraw/zinc/42/13/21/804421321.db2.gz UALYJVYKIHFCJF-AEFFLSMTSA-N 2 2 274.452 3.185 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574271 804421326 /nfs/dbraw/zinc/42/13/26/804421326.db2.gz UALYJVYKIHFCJF-AEFFLSMTSA-N 2 2 274.452 3.185 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246586106 804429267 /nfs/dbraw/zinc/42/92/67/804429267.db2.gz LIXDNGKOHRPIPX-BYCMXARLSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246586106 804429269 /nfs/dbraw/zinc/42/92/69/804429269.db2.gz LIXDNGKOHRPIPX-BYCMXARLSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604054 804440377 /nfs/dbraw/zinc/44/03/77/804440377.db2.gz MXMXVLXRVDIEIG-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001246604054 804440381 /nfs/dbraw/zinc/44/03/81/804440381.db2.gz MXMXVLXRVDIEIG-XJKSGUPXSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610044 804444371 /nfs/dbraw/zinc/44/43/71/804444371.db2.gz NRPBRQMETUWJAS-RHSMWYFYSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610044 804444375 /nfs/dbraw/zinc/44/43/75/804444375.db2.gz NRPBRQMETUWJAS-RHSMWYFYSA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647002 804473405 /nfs/dbraw/zinc/47/34/05/804473405.db2.gz RKZRNEJDUNHVED-XEZPLFJOSA-N 2 2 294.464 3.103 20 0 CGADLP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647002 804473409 /nfs/dbraw/zinc/47/34/09/804473409.db2.gz RKZRNEJDUNHVED-XEZPLFJOSA-N 2 2 294.464 3.103 20 0 CGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647001 804473965 /nfs/dbraw/zinc/47/39/65/804473965.db2.gz RKZRNEJDUNHVED-WWGRRREGSA-N 2 2 294.464 3.103 20 0 CGADLP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647001 804473968 /nfs/dbraw/zinc/47/39/68/804473968.db2.gz RKZRNEJDUNHVED-WWGRRREGSA-N 2 2 294.464 3.103 20 0 CGADLP CC(C)CC[C@H](C)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647627 804475456 /nfs/dbraw/zinc/47/54/56/804475456.db2.gz LYYFVRPAOFDKEA-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647627 804475450 /nfs/dbraw/zinc/47/54/50/804475450.db2.gz LYYFVRPAOFDKEA-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246649318 804476696 /nfs/dbraw/zinc/47/66/96/804476696.db2.gz XMJAUWRKBZKMMT-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C[C@H]1C ZINC001246649318 804476700 /nfs/dbraw/zinc/47/67/00/804476700.db2.gz XMJAUWRKBZKMMT-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639727 804481894 /nfs/dbraw/zinc/48/18/94/804481894.db2.gz NYVDAOAWBFKPPS-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639727 804481899 /nfs/dbraw/zinc/48/18/99/804481899.db2.gz NYVDAOAWBFKPPS-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639727 804481907 /nfs/dbraw/zinc/48/19/07/804481907.db2.gz NYVDAOAWBFKPPS-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]21 ZINC001140639727 804481911 /nfs/dbraw/zinc/48/19/11/804481911.db2.gz NYVDAOAWBFKPPS-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662509 804485156 /nfs/dbraw/zinc/48/51/56/804485156.db2.gz HXCABGHQZARIRS-NORZTCDRSA-N 2 2 296.817 3.223 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001246662509 804485160 /nfs/dbraw/zinc/48/51/60/804485160.db2.gz HXCABGHQZARIRS-NORZTCDRSA-N 2 2 296.817 3.223 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H]1C ZINC001246662475 804485444 /nfs/dbraw/zinc/48/54/44/804485444.db2.gz JTWJPOQNTATJIR-FRFIEDCNSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H]1C ZINC001246662475 804485446 /nfs/dbraw/zinc/48/54/46/804485446.db2.gz JTWJPOQNTATJIR-FRFIEDCNSA-N 2 2 284.447 3.382 20 0 CGADLP CC1(C)CC[C@@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246663879 804486591 /nfs/dbraw/zinc/48/65/91/804486591.db2.gz NJKCBJOPCDMBNE-HYVNUMGLSA-N 2 2 270.420 3.136 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246663879 804486596 /nfs/dbraw/zinc/48/65/96/804486596.db2.gz NJKCBJOPCDMBNE-HYVNUMGLSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666430 804487748 /nfs/dbraw/zinc/48/77/48/804487748.db2.gz UYQNCWAWPVVVJO-QXRTWZOPSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001246666430 804487751 /nfs/dbraw/zinc/48/77/51/804487751.db2.gz UYQNCWAWPVVVJO-QXRTWZOPSA-N 2 2 270.420 3.136 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789813 804513221 /nfs/dbraw/zinc/51/32/21/804513221.db2.gz JYOYBMAESJPAHF-GOEBONIOSA-N 2 2 264.388 3.034 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC001246789813 804513227 /nfs/dbraw/zinc/51/32/27/804513227.db2.gz JYOYBMAESJPAHF-GOEBONIOSA-N 2 2 264.388 3.034 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246807691 804525463 /nfs/dbraw/zinc/52/54/63/804525463.db2.gz PJRVKQMQXRUYKB-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246807691 804525468 /nfs/dbraw/zinc/52/54/68/804525468.db2.gz PJRVKQMQXRUYKB-SJLPKXTDSA-N 2 2 288.435 3.364 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844714 804553220 /nfs/dbraw/zinc/55/32/20/804553220.db2.gz BSUCEGZNSISQHL-ZDUSSCGKSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844714 804553225 /nfs/dbraw/zinc/55/32/25/804553225.db2.gz BSUCEGZNSISQHL-ZDUSSCGKSA-N 2 2 278.827 3.229 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871387 804573598 /nfs/dbraw/zinc/57/35/98/804573598.db2.gz YXCWGJOSTAPYFL-BBRMVZONSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871387 804573601 /nfs/dbraw/zinc/57/36/01/804573601.db2.gz YXCWGJOSTAPYFL-BBRMVZONSA-N 2 2 278.827 3.432 20 0 CGADLP CC[N@H+](CC[NH2+]C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246891698 804582633 /nfs/dbraw/zinc/58/26/33/804582633.db2.gz OEQHGIONHAKXGJ-NSHDSACASA-N 2 2 289.250 3.466 20 0 CGADLP CC[N@@H+](CC[NH2+]C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246891698 804582639 /nfs/dbraw/zinc/58/26/39/804582639.db2.gz OEQHGIONHAKXGJ-NSHDSACASA-N 2 2 289.250 3.466 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893225 804585382 /nfs/dbraw/zinc/58/53/82/804585382.db2.gz IUEFIFLINAXLLU-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)C[NH2+]1 ZINC001246893225 804585383 /nfs/dbraw/zinc/58/53/83/804585383.db2.gz IUEFIFLINAXLLU-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246911657 804595305 /nfs/dbraw/zinc/59/53/05/804595305.db2.gz VTZCXYIKXBVTEH-QDMKHBRRSA-N 2 2 294.389 3.460 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246911657 804595313 /nfs/dbraw/zinc/59/53/13/804595313.db2.gz VTZCXYIKXBVTEH-QDMKHBRRSA-N 2 2 294.389 3.460 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001246935806 804609090 /nfs/dbraw/zinc/60/90/90/804609090.db2.gz BHNVYRRAELKOBT-LSDHHAIUSA-N 2 2 278.465 3.159 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001246935806 804609092 /nfs/dbraw/zinc/60/90/92/804609092.db2.gz BHNVYRRAELKOBT-LSDHHAIUSA-N 2 2 278.465 3.159 20 0 CGADLP COc1cccc(C2CC[NH+]([C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246944393 804611866 /nfs/dbraw/zinc/61/18/66/804611866.db2.gz XGHMDEHLDQTZTP-PBHICJAKSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)CC[C@H](C)[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952724 804616778 /nfs/dbraw/zinc/61/67/78/804616778.db2.gz MQBMSMKUMAHRBK-WMZOPIPTSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)CC[C@H](C)[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001246952724 804616782 /nfs/dbraw/zinc/61/67/82/804616782.db2.gz MQBMSMKUMAHRBK-WMZOPIPTSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956952 804617954 /nfs/dbraw/zinc/61/79/54/804617954.db2.gz BIVPJOFNBYPINK-KBAYOESNSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956952 804617960 /nfs/dbraw/zinc/61/79/60/804617960.db2.gz BIVPJOFNBYPINK-KBAYOESNSA-N 2 2 287.451 3.214 20 0 CGADLP FC(F)(F)C1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014859 804642669 /nfs/dbraw/zinc/64/26/69/804642669.db2.gz LZMZZZIGYNFLCP-BLYZHGLHSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)C1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014859 804642674 /nfs/dbraw/zinc/64/26/74/804642674.db2.gz LZMZZZIGYNFLCP-BLYZHGLHSA-N 2 2 290.373 3.181 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C(C)(C)C)c[nH]3)C[C@@H]2C1 ZINC001249480027 805159733 /nfs/dbraw/zinc/15/97/33/805159733.db2.gz CMYZEJPVRFKSAN-GJZGRUSLSA-N 2 2 289.467 3.086 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]1 ZINC001155026434 805525994 /nfs/dbraw/zinc/52/59/94/805525994.db2.gz SWKZQJJELPTASC-ZWNOBZJWSA-N 2 2 281.831 3.399 20 0 CGADLP Fc1c(CCn2cc[nH+]c2)cccc1C[NH+]1CCCCC1 ZINC001250320324 805564499 /nfs/dbraw/zinc/56/44/99/805564499.db2.gz KSGKJBDEIGOOOD-UHFFFAOYSA-N 2 2 287.382 3.251 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3cc(F)ccc32)CC1 ZINC001257210572 807060665 /nfs/dbraw/zinc/06/06/65/807060665.db2.gz SLMGAMGBMANBLN-MRXNPFEDSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)o2)CC1 ZINC001257213668 807062664 /nfs/dbraw/zinc/06/26/64/807062664.db2.gz SABLHCJESPRFRX-UHFFFAOYSA-N 2 2 290.329 3.261 20 0 CGADLP CC(C)[NH+]1CCC([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001257222142 807064502 /nfs/dbraw/zinc/06/45/02/807064502.db2.gz UARPKIICCLAEAY-OAHLLOKOSA-N 2 2 282.447 3.463 20 0 CGADLP Nc1cc(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)cc[nH+]1 ZINC001167619002 807216067 /nfs/dbraw/zinc/21/60/67/807216067.db2.gz QRKVKSYEHOWOMN-UHFFFAOYSA-N 2 2 289.342 3.305 20 0 CGADLP Cn1c[nH+]c2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc21 ZINC001167625434 807218663 /nfs/dbraw/zinc/21/86/63/807218663.db2.gz XQVGUKAJOBOFIZ-UHFFFAOYSA-N 2 2 286.423 3.058 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258075135 807292763 /nfs/dbraw/zinc/29/27/63/807292763.db2.gz RNXJERHGPWGNJP-LUKYLMHMSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258075135 807292768 /nfs/dbraw/zinc/29/27/68/807292768.db2.gz RNXJERHGPWGNJP-LUKYLMHMSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258075135 807292773 /nfs/dbraw/zinc/29/27/73/807292773.db2.gz RNXJERHGPWGNJP-LUKYLMHMSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258075135 807292776 /nfs/dbraw/zinc/29/27/76/807292776.db2.gz RNXJERHGPWGNJP-LUKYLMHMSA-N 2 2 266.473 3.473 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001168186642 807339042 /nfs/dbraw/zinc/33/90/42/807339042.db2.gz CDHFKARTDYHFIK-CYBMUJFWSA-N 2 2 278.827 3.051 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001168186642 807339048 /nfs/dbraw/zinc/33/90/48/807339048.db2.gz CDHFKARTDYHFIK-CYBMUJFWSA-N 2 2 278.827 3.051 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001168468366 807426864 /nfs/dbraw/zinc/42/68/64/807426864.db2.gz NTBATQDJEXAFAJ-KSSFIOAISA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001168468366 807426869 /nfs/dbraw/zinc/42/68/69/807426869.db2.gz NTBATQDJEXAFAJ-KSSFIOAISA-N 2 2 290.426 3.221 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168742041 807501337 /nfs/dbraw/zinc/50/13/37/807501337.db2.gz BPOSDNFQIFPOCP-CQSZACIVSA-N 2 2 289.810 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168742041 807501339 /nfs/dbraw/zinc/50/13/39/807501339.db2.gz BPOSDNFQIFPOCP-CQSZACIVSA-N 2 2 289.810 3.026 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743205 807502327 /nfs/dbraw/zinc/50/23/27/807502327.db2.gz JXNOJHKXKJGKQC-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743205 807502332 /nfs/dbraw/zinc/50/23/32/807502332.db2.gz JXNOJHKXKJGKQC-OAHLLOKOSA-N 2 2 292.854 3.223 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258653533 807524337 /nfs/dbraw/zinc/52/43/37/807524337.db2.gz UQGOSOGPFMSDAC-OALUTQOASA-N 2 2 286.463 3.472 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258653533 807524343 /nfs/dbraw/zinc/52/43/43/807524343.db2.gz UQGOSOGPFMSDAC-OALUTQOASA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691193 807547430 /nfs/dbraw/zinc/54/74/30/807547430.db2.gz ZGFFXIWGMGRXMD-HRCADAONSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691193 807547434 /nfs/dbraw/zinc/54/74/34/807547434.db2.gz ZGFFXIWGMGRXMD-HRCADAONSA-N 2 2 294.483 3.044 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001258703803 807558298 /nfs/dbraw/zinc/55/82/98/807558298.db2.gz LDTCLINZEPGOIK-SFHVURJKSA-N 2 2 274.452 3.473 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001258770061 807603564 /nfs/dbraw/zinc/60/35/64/807603564.db2.gz DBECAKUYBVBHGO-KRWDZBQOSA-N 2 2 291.414 3.136 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258785738 807612030 /nfs/dbraw/zinc/61/20/30/807612030.db2.gz WUAGNXKBZCRVDA-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258785738 807612034 /nfs/dbraw/zinc/61/20/34/807612034.db2.gz WUAGNXKBZCRVDA-BPUTZDHNSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258836422 807651559 /nfs/dbraw/zinc/65/15/59/807651559.db2.gz WWBXVGPSCLAPSK-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258836422 807651562 /nfs/dbraw/zinc/65/15/62/807651562.db2.gz WWBXVGPSCLAPSK-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258836422 807651565 /nfs/dbraw/zinc/65/15/65/807651565.db2.gz WWBXVGPSCLAPSK-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258836422 807651571 /nfs/dbraw/zinc/65/15/71/807651571.db2.gz WWBXVGPSCLAPSK-RDJZCZTQSA-N 2 2 266.473 3.473 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001258898842 807669144 /nfs/dbraw/zinc/66/91/44/807669144.db2.gz VMADAEQNDGFMQG-JTQLQIEISA-N 2 2 290.320 3.284 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001261297629 807734686 /nfs/dbraw/zinc/73/46/86/807734686.db2.gz INVDJJQXYQVKQO-UHFFFAOYSA-N 2 2 297.446 3.318 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001261297629 807734691 /nfs/dbraw/zinc/73/46/91/807734691.db2.gz INVDJJQXYQVKQO-UHFFFAOYSA-N 2 2 297.446 3.318 20 0 CGADLP Cc1[nH]c(CNc2cccc(C[NH+]3CCCC3)c2)[nH+]c1C ZINC001261599446 807769337 /nfs/dbraw/zinc/76/93/37/807769337.db2.gz XXWIEFAXUVEJIB-UHFFFAOYSA-N 2 2 284.407 3.234 20 0 CGADLP COc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1C ZINC001170449894 807845689 /nfs/dbraw/zinc/84/56/89/807845689.db2.gz AIXUFXDGRVGBLX-UHFFFAOYSA-N 2 2 291.439 3.462 20 0 CGADLP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3[nH+]ccc4cc(F)ccc43)[C@@H]2C1 ZINC001262725279 807901653 /nfs/dbraw/zinc/90/16/53/807901653.db2.gz SXTNJXPLVJQRFL-APHBMKBZSA-N 2 2 285.366 3.126 20 0 CGADLP C[N@H+]1C[C@@H]2CC[C@@H](Nc3[nH+]ccc4cc(F)ccc43)[C@@H]2C1 ZINC001262725279 807901660 /nfs/dbraw/zinc/90/16/60/807901660.db2.gz SXTNJXPLVJQRFL-APHBMKBZSA-N 2 2 285.366 3.126 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001171658634 808114403 /nfs/dbraw/zinc/11/44/03/808114403.db2.gz UDNSUPDEEVTIAW-FUHWJXTLSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001171658634 808114410 /nfs/dbraw/zinc/11/44/10/808114410.db2.gz UDNSUPDEEVTIAW-FUHWJXTLSA-N 2 2 274.452 3.388 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570325 808394649 /nfs/dbraw/zinc/39/46/49/808394649.db2.gz VVYMNCCSHILJCW-NCXUSEDFSA-N 2 2 284.447 3.349 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570325 808394658 /nfs/dbraw/zinc/39/46/58/808394658.db2.gz VVYMNCCSHILJCW-NCXUSEDFSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570325 808394666 /nfs/dbraw/zinc/39/46/66/808394666.db2.gz VVYMNCCSHILJCW-NCXUSEDFSA-N 2 2 284.447 3.349 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]21 ZINC001172570325 808394678 /nfs/dbraw/zinc/39/46/78/808394678.db2.gz VVYMNCCSHILJCW-NCXUSEDFSA-N 2 2 284.447 3.349 20 0 CGADLP c1[nH]c2c(cccc2Nc2c[nH+]ccc2N2CCCC2)[nH+]1 ZINC001213030405 815204352 /nfs/dbraw/zinc/20/43/52/815204352.db2.gz AGBUIDXVRRTWRG-UHFFFAOYSA-N 2 2 279.347 3.302 20 0 CGADLP CCCOC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001173094317 808506224 /nfs/dbraw/zinc/50/62/24/808506224.db2.gz VAMRFLASIIDUGN-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CCCOC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001173094317 808506229 /nfs/dbraw/zinc/50/62/29/808506229.db2.gz VAMRFLASIIDUGN-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC001173235534 808544783 /nfs/dbraw/zinc/54/47/83/808544783.db2.gz MQXPVZVGSNFJBR-YJBOKZPZSA-N 2 2 274.452 3.252 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001173235534 808544787 /nfs/dbraw/zinc/54/47/87/808544787.db2.gz MQXPVZVGSNFJBR-YJBOKZPZSA-N 2 2 274.452 3.252 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001173245003 808552444 /nfs/dbraw/zinc/55/24/44/808552444.db2.gz FXIJWLWFPPVXLI-KFKAGJAMSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001173245003 808552450 /nfs/dbraw/zinc/55/24/50/808552450.db2.gz FXIJWLWFPPVXLI-KFKAGJAMSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001173245003 808552456 /nfs/dbraw/zinc/55/24/56/808552456.db2.gz FXIJWLWFPPVXLI-KFKAGJAMSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001173245003 808552457 /nfs/dbraw/zinc/55/24/57/808552457.db2.gz FXIJWLWFPPVXLI-KFKAGJAMSA-N 2 2 286.463 3.206 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280566 808582897 /nfs/dbraw/zinc/58/28/97/808582897.db2.gz UUIHXODSWMLABZ-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280566 808582900 /nfs/dbraw/zinc/58/29/00/808582900.db2.gz UUIHXODSWMLABZ-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280566 808582907 /nfs/dbraw/zinc/58/29/07/808582907.db2.gz UUIHXODSWMLABZ-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)C1 ZINC001173280566 808582912 /nfs/dbraw/zinc/58/29/12/808582912.db2.gz UUIHXODSWMLABZ-VXIBKDFQSA-N 2 2 299.462 3.024 20 0 CGADLP c1ccc2c(c1)CCC21CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC001173683860 808663847 /nfs/dbraw/zinc/66/38/47/808663847.db2.gz ILOYPJMYFJABNM-UHFFFAOYSA-N 2 2 298.474 3.499 20 0 CGADLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001276363463 809003479 /nfs/dbraw/zinc/00/34/79/809003479.db2.gz ITWFZVJWLRMLDD-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001276363463 809003485 /nfs/dbraw/zinc/00/34/85/809003485.db2.gz ITWFZVJWLRMLDD-UHFFFAOYSA-N 2 2 298.352 3.022 20 0 CGADLP CC/C=C\CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276526146 809014544 /nfs/dbraw/zinc/01/45/44/809014544.db2.gz NYBPQZBARLBZPJ-ARJAWSKDSA-N 2 2 262.441 3.293 20 0 CGADLP CC/C=C\CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276526146 809014551 /nfs/dbraw/zinc/01/45/51/809014551.db2.gz NYBPQZBARLBZPJ-ARJAWSKDSA-N 2 2 262.441 3.293 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807980 809098565 /nfs/dbraw/zinc/09/85/65/809098565.db2.gz SHUNNPFUOIZGPF-DOTOQJQBSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277807980 809098573 /nfs/dbraw/zinc/09/85/73/809098573.db2.gz SHUNNPFUOIZGPF-DOTOQJQBSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807980 809098581 /nfs/dbraw/zinc/09/85/81/809098581.db2.gz SHUNNPFUOIZGPF-DOTOQJQBSA-N 2 2 275.440 3.101 20 0 CGADLP CC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277807980 809098584 /nfs/dbraw/zinc/09/85/84/809098584.db2.gz SHUNNPFUOIZGPF-DOTOQJQBSA-N 2 2 275.440 3.101 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882947 809563834 /nfs/dbraw/zinc/56/38/34/809563834.db2.gz MLUVGPAUSOMZRZ-HOTGVXAUSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC(C)(C)CC1 ZINC001175882947 809563836 /nfs/dbraw/zinc/56/38/36/809563836.db2.gz MLUVGPAUSOMZRZ-HOTGVXAUSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001175882947 809563840 /nfs/dbraw/zinc/56/38/40/809563840.db2.gz MLUVGPAUSOMZRZ-HOTGVXAUSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC(C)(C)CC1 ZINC001175882947 809563843 /nfs/dbraw/zinc/56/38/43/809563843.db2.gz MLUVGPAUSOMZRZ-HOTGVXAUSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884123 809564049 /nfs/dbraw/zinc/56/40/49/809564049.db2.gz ZHWUJMRJTBUVGR-HYVNUMGLSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)C1CCCCC1 ZINC001175884123 809564052 /nfs/dbraw/zinc/56/40/52/809564052.db2.gz ZHWUJMRJTBUVGR-HYVNUMGLSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)C1CCCCC1 ZINC001175884123 809564057 /nfs/dbraw/zinc/56/40/57/809564057.db2.gz ZHWUJMRJTBUVGR-HYVNUMGLSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)C1CCCCC1 ZINC001175884123 809564061 /nfs/dbraw/zinc/56/40/61/809564061.db2.gz ZHWUJMRJTBUVGR-HYVNUMGLSA-N 2 2 264.457 3.371 20 0 CGADLP [NH3+]Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001175969170 809585815 /nfs/dbraw/zinc/58/58/15/809585815.db2.gz WAWRGQYERSBTBE-UHFFFAOYSA-N 2 2 278.359 3.134 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)[nH]1 ZINC001179849729 809951021 /nfs/dbraw/zinc/95/10/21/809951021.db2.gz HSKXHCFHEIGGNP-ZDUSSCGKSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)[nH]1 ZINC001179849729 809951023 /nfs/dbraw/zinc/95/10/23/809951023.db2.gz HSKXHCFHEIGGNP-ZDUSSCGKSA-N 2 2 298.415 3.399 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001183146651 810137983 /nfs/dbraw/zinc/13/79/83/810137983.db2.gz ZIWWPNSXANYYKC-OKZBNKHCSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001183146651 810137984 /nfs/dbraw/zinc/13/79/84/810137984.db2.gz ZIWWPNSXANYYKC-OKZBNKHCSA-N 2 2 272.436 3.315 20 0 CGADLP CCc1cc(N[C@@H](C)C[NH+]2CCC(C)CC2)nc(CC)[nH+]1 ZINC001187034865 810380868 /nfs/dbraw/zinc/38/08/68/810380868.db2.gz OVTQEEOFPUSBEQ-AWEZNQCLSA-N 2 2 290.455 3.134 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001198704453 811537537 /nfs/dbraw/zinc/53/75/37/811537537.db2.gz AXLZPUVXWHWBRS-MRXNPFEDSA-N 2 2 261.413 3.094 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001198704453 811537540 /nfs/dbraw/zinc/53/75/40/811537540.db2.gz AXLZPUVXWHWBRS-MRXNPFEDSA-N 2 2 261.413 3.094 20 0 CGADLP CCOc1cc[nH+]cc1Nc1cccc(C[NH+](C)C)c1 ZINC001201393216 811826477 /nfs/dbraw/zinc/82/64/77/811826477.db2.gz YSWYFPWCBVCIDE-UHFFFAOYSA-N 2 2 271.364 3.286 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001201609212 811919708 /nfs/dbraw/zinc/91/97/08/811919708.db2.gz DIZLQJLJEQWXDE-QGZVFWFLSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001201609212 811919712 /nfs/dbraw/zinc/91/97/12/811919712.db2.gz DIZLQJLJEQWXDE-QGZVFWFLSA-N 2 2 282.387 3.086 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC001201963440 811986937 /nfs/dbraw/zinc/98/69/37/811986937.db2.gz PXYYVEYELNPGBG-CYBMUJFWSA-N 2 2 282.378 3.319 20 0 CGADLP CCCC1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC001203161078 812256567 /nfs/dbraw/zinc/25/65/67/812256567.db2.gz KGGIMNHLMITPAZ-UYSNPLJNSA-N 2 2 252.446 3.277 20 0 CGADLP CCCC1CCC(C[NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC001203161078 812256574 /nfs/dbraw/zinc/25/65/74/812256574.db2.gz KGGIMNHLMITPAZ-UYSNPLJNSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001203328156 812311590 /nfs/dbraw/zinc/31/15/90/812311590.db2.gz QOHLAIXSRNGAHQ-KRWDZBQOSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001203328156 812311599 /nfs/dbraw/zinc/31/15/99/812311599.db2.gz QOHLAIXSRNGAHQ-KRWDZBQOSA-N 2 2 272.436 3.410 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3Cl)C[C@H]2C1 ZINC001203388089 812337905 /nfs/dbraw/zinc/33/79/05/812337905.db2.gz GJANZJSIGOATDP-HUUCEWRRSA-N 2 2 278.827 3.114 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001204168224 812563423 /nfs/dbraw/zinc/56/34/23/812563423.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001204168224 812563429 /nfs/dbraw/zinc/56/34/29/812563429.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001204168224 812563431 /nfs/dbraw/zinc/56/34/31/812563431.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001204168224 812563437 /nfs/dbraw/zinc/56/34/37/812563437.db2.gz KLNASFTXXMKPNR-ROUUACIJSA-N 2 2 272.436 3.336 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204309659 812608217 /nfs/dbraw/zinc/60/82/17/812608217.db2.gz BVFHANWRDINDQD-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204424244 812635290 /nfs/dbraw/zinc/63/52/90/812635290.db2.gz PFIAJVDKMODUOL-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204424244 812635294 /nfs/dbraw/zinc/63/52/94/812635294.db2.gz PFIAJVDKMODUOL-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC001204564328 812679177 /nfs/dbraw/zinc/67/91/77/812679177.db2.gz IZELNEDXQUDRMP-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC001204564328 812679181 /nfs/dbraw/zinc/67/91/81/812679181.db2.gz IZELNEDXQUDRMP-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC001204564328 812679183 /nfs/dbraw/zinc/67/91/83/812679183.db2.gz IZELNEDXQUDRMP-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC001204564328 812679188 /nfs/dbraw/zinc/67/91/88/812679188.db2.gz IZELNEDXQUDRMP-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)s1 ZINC001204770992 812730955 /nfs/dbraw/zinc/73/09/55/812730955.db2.gz KXLMXRBNULYOJU-AWEZNQCLSA-N 2 2 252.427 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)s1 ZINC001204770992 812730956 /nfs/dbraw/zinc/73/09/56/812730956.db2.gz KXLMXRBNULYOJU-AWEZNQCLSA-N 2 2 252.427 3.014 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204877446 812759878 /nfs/dbraw/zinc/75/98/78/812759878.db2.gz JBWCABOFPSJBKY-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001204877446 812759882 /nfs/dbraw/zinc/75/98/82/812759882.db2.gz JBWCABOFPSJBKY-SFHVURJKSA-N 2 2 284.378 3.416 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)s1 ZINC001204937304 812785324 /nfs/dbraw/zinc/78/53/24/812785324.db2.gz BMVMANMXQHITEP-HNNXBMFYSA-N 2 2 266.454 3.404 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)s1 ZINC001204937304 812785334 /nfs/dbraw/zinc/78/53/34/812785334.db2.gz BMVMANMXQHITEP-HNNXBMFYSA-N 2 2 266.454 3.404 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001205017270 812829032 /nfs/dbraw/zinc/82/90/32/812829032.db2.gz MODRJAIMOFQISK-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001205017270 812829037 /nfs/dbraw/zinc/82/90/37/812829037.db2.gz MODRJAIMOFQISK-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001205087839 812855551 /nfs/dbraw/zinc/85/55/51/812855551.db2.gz JUGFKGWDFOSVMX-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001205087839 812855559 /nfs/dbraw/zinc/85/55/59/812855559.db2.gz JUGFKGWDFOSVMX-RDJZCZTQSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205189614 812903462 /nfs/dbraw/zinc/90/34/62/812903462.db2.gz DUDAWMCMSDAAMU-MLGOLLRUSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(-c2ccsc2)c1 ZINC001205189614 812903468 /nfs/dbraw/zinc/90/34/68/812903468.db2.gz DUDAWMCMSDAAMU-MLGOLLRUSA-N 2 2 272.417 3.337 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205303163 812940932 /nfs/dbraw/zinc/94/09/32/812940932.db2.gz ABZMMVMRCDLWDG-ZYHUDNBSSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205303163 812940933 /nfs/dbraw/zinc/94/09/33/812940933.db2.gz ABZMMVMRCDLWDG-ZYHUDNBSSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318466 812950567 /nfs/dbraw/zinc/95/05/67/812950567.db2.gz UVSQHPCFCUBOLD-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318466 812950571 /nfs/dbraw/zinc/95/05/71/812950571.db2.gz UVSQHPCFCUBOLD-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806315 813087354 /nfs/dbraw/zinc/08/73/54/813087354.db2.gz TWZGGQHPAZLKFQ-RISCZKNCSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205806315 813087362 /nfs/dbraw/zinc/08/73/62/813087362.db2.gz TWZGGQHPAZLKFQ-RISCZKNCSA-N 2 2 286.341 3.265 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830501 813101912 /nfs/dbraw/zinc/10/19/12/813101912.db2.gz SYVFEAUBGGPEHE-GOEBONIOSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830501 813101914 /nfs/dbraw/zinc/10/19/14/813101914.db2.gz SYVFEAUBGGPEHE-GOEBONIOSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC001205904256 813126432 /nfs/dbraw/zinc/12/64/32/813126432.db2.gz TYHGLKSJPPIIPJ-WCQYABFASA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(Br)cc1 ZINC001205904256 813126436 /nfs/dbraw/zinc/12/64/36/813126436.db2.gz TYHGLKSJPPIIPJ-WCQYABFASA-N 2 2 297.240 3.008 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206262999 813262127 /nfs/dbraw/zinc/26/21/27/813262127.db2.gz LBVPEKVHPDTWRX-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001206262999 813262132 /nfs/dbraw/zinc/26/21/32/813262132.db2.gz LBVPEKVHPDTWRX-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1cc[nH+]c(C)c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206723438 813408084 /nfs/dbraw/zinc/40/80/84/813408084.db2.gz PRDVCLUGQGLAQJ-UHFFFAOYSA-N 2 2 256.353 3.211 20 0 CGADLP Cc1ncsc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001206990920 813462239 /nfs/dbraw/zinc/46/22/39/813462239.db2.gz GJVUUPOVHGDLTJ-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1ncsc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001206990920 813462242 /nfs/dbraw/zinc/46/22/42/813462242.db2.gz GJVUUPOVHGDLTJ-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP FC1(F)CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286752 813535909 /nfs/dbraw/zinc/53/59/09/813535909.db2.gz LUUSNDVXISAQEC-UHFFFAOYSA-N 2 2 294.389 3.240 20 0 CGADLP FC1(F)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286752 813535913 /nfs/dbraw/zinc/53/59/13/813535913.db2.gz LUUSNDVXISAQEC-UHFFFAOYSA-N 2 2 294.389 3.240 20 0 CGADLP COc1ccc(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207478745 813572266 /nfs/dbraw/zinc/57/22/66/813572266.db2.gz LOTPLBGAIJLGJP-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP COc1ccc(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001207478745 813572275 /nfs/dbraw/zinc/57/22/75/813572275.db2.gz LOTPLBGAIJLGJP-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP CCSc1ccccc1CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001207491967 813576742 /nfs/dbraw/zinc/57/67/42/813576742.db2.gz FRHUFFYVCSIKBP-INIZCTEOSA-N 2 2 292.492 3.415 20 0 CGADLP CCSc1ccccc1CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001207491967 813576748 /nfs/dbraw/zinc/57/67/48/813576748.db2.gz FRHUFFYVCSIKBP-INIZCTEOSA-N 2 2 292.492 3.415 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594502 813603741 /nfs/dbraw/zinc/60/37/41/813603741.db2.gz XZRDUIAAEIRUAD-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594502 813603742 /nfs/dbraw/zinc/60/37/42/813603742.db2.gz XZRDUIAAEIRUAD-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594502 813603748 /nfs/dbraw/zinc/60/37/48/813603748.db2.gz XZRDUIAAEIRUAD-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@@H]21 ZINC001207594502 813603752 /nfs/dbraw/zinc/60/37/52/813603752.db2.gz XZRDUIAAEIRUAD-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP CN(C)c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001242691209 823101288 /nfs/dbraw/zinc/10/12/88/823101288.db2.gz DQZOIPQOKAFSRO-INIZCTEOSA-N 2 2 271.408 3.179 20 0 CGADLP CC[NH+](CC)Cc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC001209822183 814153978 /nfs/dbraw/zinc/15/39/78/814153978.db2.gz XZZLELBTEPDWSD-UHFFFAOYSA-N 2 2 284.407 3.274 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1N ZINC001210288199 814383774 /nfs/dbraw/zinc/38/37/74/814383774.db2.gz NDHBFRVICNUQLF-UHFFFAOYSA-N 2 2 282.391 3.312 20 0 CGADLP CCCCCCc1ccc(C[NH+]2CC(C[NH3+])C2)s1 ZINC001210546544 814518798 /nfs/dbraw/zinc/51/87/98/814518798.db2.gz XUEBGOWMECZQKU-UHFFFAOYSA-N 2 2 266.454 3.261 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222190479 816369963 /nfs/dbraw/zinc/36/99/63/816369963.db2.gz CBZYHQLVNCCIGT-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222190479 816369971 /nfs/dbraw/zinc/36/99/71/816369971.db2.gz CBZYHQLVNCCIGT-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP C[C@H](CC[N@@H+]1CC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191021 816370063 /nfs/dbraw/zinc/37/00/63/816370063.db2.gz HXXVKFUWUVZLKQ-GDBMZVCRSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CC[N@H+]1CC[C@@]12CCC[NH2+]C2)CC(C)(C)C ZINC001222191021 816370074 /nfs/dbraw/zinc/37/00/74/816370074.db2.gz HXXVKFUWUVZLKQ-GDBMZVCRSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1F ZINC001222292459 816398604 /nfs/dbraw/zinc/39/86/04/816398604.db2.gz AITMRIREDKVTLS-UHFFFAOYSA-N 2 2 276.399 3.242 20 0 CGADLP Fc1ccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222346351 816415171 /nfs/dbraw/zinc/41/51/71/816415171.db2.gz QRBHTAAQDRTOIN-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222346351 816415176 /nfs/dbraw/zinc/41/51/76/816415176.db2.gz QRBHTAAQDRTOIN-KRWDZBQOSA-N 2 2 287.382 3.025 20 0 CGADLP Cc1ccc(-c2cccc(C[NH+]3CC4(C3)CC[NH2+]C4)c2)cc1 ZINC001222380133 816423496 /nfs/dbraw/zinc/42/34/96/816423496.db2.gz TWFZXQPKFFGOIH-UHFFFAOYSA-N 2 2 292.426 3.457 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390315 816428873 /nfs/dbraw/zinc/42/88/73/816428873.db2.gz NCORCVJWNWTKSJ-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222390315 816428877 /nfs/dbraw/zinc/42/88/77/816428877.db2.gz NCORCVJWNWTKSJ-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP COc1cc(C)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242980606 823198240 /nfs/dbraw/zinc/19/82/40/823198240.db2.gz OHWGPTITMHMSLX-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242980606 823198245 /nfs/dbraw/zinc/19/82/45/823198245.db2.gz OHWGPTITMHMSLX-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@H](C[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC001222559415 816467538 /nfs/dbraw/zinc/46/75/38/816467538.db2.gz WCNWOKNWQCVIKB-XPGWFJOJSA-N 2 2 292.426 3.361 20 0 CGADLP C[C@H](C[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC001222559415 816467542 /nfs/dbraw/zinc/46/75/42/816467542.db2.gz WCNWOKNWQCVIKB-XPGWFJOJSA-N 2 2 292.426 3.361 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001235007859 818978251 /nfs/dbraw/zinc/97/82/51/818978251.db2.gz RUJWCIVRMCEZQT-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001235007859 818978257 /nfs/dbraw/zinc/97/82/57/818978257.db2.gz RUJWCIVRMCEZQT-SWLSCSKDSA-N 2 2 299.245 3.220 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235039574 818988942 /nfs/dbraw/zinc/98/89/42/818988942.db2.gz VTIBLAHPQYGTCT-ZOCIIQOWSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235039574 818988945 /nfs/dbraw/zinc/98/89/45/818988945.db2.gz VTIBLAHPQYGTCT-ZOCIIQOWSA-N 2 2 280.415 3.380 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073603 818994413 /nfs/dbraw/zinc/99/44/13/818994413.db2.gz SRBVTDJARNVBDE-ATZDWAIDSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235073603 818994417 /nfs/dbraw/zinc/99/44/17/818994417.db2.gz SRBVTDJARNVBDE-ATZDWAIDSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC23CC[NH2+]CC3)c1C ZINC001235103018 819002176 /nfs/dbraw/zinc/00/21/76/819002176.db2.gz PYAISNRITNTZBZ-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC23CC[NH2+]CC3)c1C ZINC001235103018 819002182 /nfs/dbraw/zinc/00/21/82/819002182.db2.gz PYAISNRITNTZBZ-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Oc1ccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235115618 819008808 /nfs/dbraw/zinc/00/88/08/819008808.db2.gz JXDBFUOLMIYNSV-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c2ccccc12 ZINC001235115618 819008812 /nfs/dbraw/zinc/00/88/12/819008812.db2.gz JXDBFUOLMIYNSV-LJQANCHMSA-N 2 2 296.414 3.263 20 0 CGADLP Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c21 ZINC001235117754 819010538 /nfs/dbraw/zinc/01/05/38/819010538.db2.gz SFSPADIMJIWGED-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c21 ZINC001235117754 819010541 /nfs/dbraw/zinc/01/05/41/819010541.db2.gz SFSPADIMJIWGED-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235401006 819086683 /nfs/dbraw/zinc/08/66/83/819086683.db2.gz FPGAMQKDWDBOBT-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)ccc1Cl ZINC001235401006 819086690 /nfs/dbraw/zinc/08/66/90/819086690.db2.gz FPGAMQKDWDBOBT-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235408579 819087385 /nfs/dbraw/zinc/08/73/85/819087385.db2.gz URFTVPDTGVIEDN-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235408579 819087390 /nfs/dbraw/zinc/08/73/90/819087390.db2.gz URFTVPDTGVIEDN-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP CCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001235664830 819131798 /nfs/dbraw/zinc/13/17/98/819131798.db2.gz XLGWSPYMWPKGNW-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001235664830 819131802 /nfs/dbraw/zinc/13/18/02/819131802.db2.gz XLGWSPYMWPKGNW-KRWDZBQOSA-N 2 2 260.425 3.431 20 0 CGADLP CCCCOc1cccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712104 819148080 /nfs/dbraw/zinc/14/80/80/819148080.db2.gz ZEDYBOZJDBAVFB-UHFFFAOYSA-N 2 2 288.435 3.051 20 0 CGADLP CCCCOc1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712104 819148085 /nfs/dbraw/zinc/14/80/85/819148085.db2.gz ZEDYBOZJDBAVFB-UHFFFAOYSA-N 2 2 288.435 3.051 20 0 CGADLP CCc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1Cl ZINC001235752879 819162224 /nfs/dbraw/zinc/16/22/24/819162224.db2.gz TYIIHKZPQIWEJX-UHFFFAOYSA-N 2 2 266.816 3.216 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@@H]([NH3+])CC[C@H]3C)ccc2c1 ZINC001235891977 819200908 /nfs/dbraw/zinc/20/09/08/819200908.db2.gz JDELVZZCAORFEX-DYVFJYSZSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@@H]([NH3+])CC[C@H]3C)ccc2c1 ZINC001235891977 819200915 /nfs/dbraw/zinc/20/09/15/819200915.db2.gz JDELVZZCAORFEX-DYVFJYSZSA-N 2 2 284.403 3.160 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001235897187 819206341 /nfs/dbraw/zinc/20/63/41/819206341.db2.gz SMNCLGZUVOSEKY-LLVKDONJSA-N 2 2 284.806 3.081 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235901845 819212359 /nfs/dbraw/zinc/21/23/59/819212359.db2.gz FAILUZUZZRYJRU-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235901845 819212360 /nfs/dbraw/zinc/21/23/60/819212360.db2.gz FAILUZUZZRYJRU-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2sccc21 ZINC001235909152 819216789 /nfs/dbraw/zinc/21/67/89/819216789.db2.gz ZURWJMBAGUVJFJ-AAEUAGOBSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2sccc21 ZINC001235909152 819216793 /nfs/dbraw/zinc/21/67/93/819216793.db2.gz ZURWJMBAGUVJFJ-AAEUAGOBSA-N 2 2 260.406 3.213 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001235924899 819223196 /nfs/dbraw/zinc/22/31/96/819223196.db2.gz AQKSLBUGLVIPNN-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC001235924899 819223199 /nfs/dbraw/zinc/22/31/99/819223199.db2.gz AQKSLBUGLVIPNN-LBPRGKRZSA-N 2 2 290.304 3.158 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235938006 819233183 /nfs/dbraw/zinc/23/31/83/819233183.db2.gz KJVNACINKGVVKP-VXGBXAGGSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235938006 819233189 /nfs/dbraw/zinc/23/31/89/819233189.db2.gz KJVNACINKGVVKP-VXGBXAGGSA-N 2 2 299.245 3.343 20 0 CGADLP Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948193 819238381 /nfs/dbraw/zinc/23/83/81/819238381.db2.gz NQUPZKGDZIJGKQ-ZBFHGGJFSA-N 2 2 278.827 3.271 20 0 CGADLP Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235948193 819238387 /nfs/dbraw/zinc/23/83/87/819238387.db2.gz NQUPZKGDZIJGKQ-ZBFHGGJFSA-N 2 2 278.827 3.271 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001235970468 819253596 /nfs/dbraw/zinc/25/35/96/819253596.db2.gz JPCPGFCBGZZYBA-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC001235970468 819253603 /nfs/dbraw/zinc/25/36/03/819253603.db2.gz JPCPGFCBGZZYBA-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP CC[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007581 819272090 /nfs/dbraw/zinc/27/20/90/819272090.db2.gz OJTRXCXPBCAZJT-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236007581 819272097 /nfs/dbraw/zinc/27/20/97/819272097.db2.gz OJTRXCXPBCAZJT-SFHVURJKSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCC[NH2+]C1 ZINC001236008518 819272823 /nfs/dbraw/zinc/27/28/23/819272823.db2.gz RUJVYTQBESMLNV-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@@H]1CCC[NH2+]C1 ZINC001236008518 819272826 /nfs/dbraw/zinc/27/28/26/819272826.db2.gz RUJVYTQBESMLNV-CYBMUJFWSA-N 2 2 291.826 3.395 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046239 819283564 /nfs/dbraw/zinc/28/35/64/819283564.db2.gz FJVJWWRUBSBHJF-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001236046239 819283570 /nfs/dbraw/zinc/28/35/70/819283570.db2.gz FJVJWWRUBSBHJF-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2c1 ZINC001236051857 819288535 /nfs/dbraw/zinc/28/85/35/819288535.db2.gz NXCDQKGXSWWUMO-YPMHNXCESA-N 2 2 290.432 3.079 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@H](C)C[C@H]([NH3+])C3)cc2c1 ZINC001236051857 819288540 /nfs/dbraw/zinc/28/85/40/819288540.db2.gz NXCDQKGXSWWUMO-YPMHNXCESA-N 2 2 290.432 3.079 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053019 819289507 /nfs/dbraw/zinc/28/95/07/819289507.db2.gz XFMRDQDMDAXZHD-UZLBHIALSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236053019 819289513 /nfs/dbraw/zinc/28/95/13/819289513.db2.gz XFMRDQDMDAXZHD-UZLBHIALSA-N 2 2 294.442 3.447 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236058725 819292815 /nfs/dbraw/zinc/29/28/15/819292815.db2.gz ATGSGRJCBDQOQZ-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236058725 819292817 /nfs/dbraw/zinc/29/28/17/819292817.db2.gz ATGSGRJCBDQOQZ-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cnc1-c1ccccc1 ZINC001236100717 819318005 /nfs/dbraw/zinc/31/80/05/819318005.db2.gz OANMMFCWKVZABR-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cnc1-c1ccccc1 ZINC001236100717 819318013 /nfs/dbraw/zinc/31/80/13/819318013.db2.gz OANMMFCWKVZABR-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236145025 819345317 /nfs/dbraw/zinc/34/53/17/819345317.db2.gz YLJQZWYJKRRQKA-UHFFFAOYSA-N 2 2 289.810 3.183 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236145025 819345322 /nfs/dbraw/zinc/34/53/22/819345322.db2.gz YLJQZWYJKRRQKA-UHFFFAOYSA-N 2 2 289.810 3.183 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001236160841 819349689 /nfs/dbraw/zinc/34/96/89/819349689.db2.gz JRWDCJWARZKBHR-TXPKVOOTSA-N 2 2 298.430 3.474 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)[C@@H](Oc1ccccc1)c1ccccc1 ZINC001236160841 819349691 /nfs/dbraw/zinc/34/96/91/819349691.db2.gz JRWDCJWARZKBHR-TXPKVOOTSA-N 2 2 298.430 3.474 20 0 CGADLP C[N@H+](Cc1ccc2ccsc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206215 819368595 /nfs/dbraw/zinc/36/85/95/819368595.db2.gz JGLUTSGBCRHABC-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1ccc2ccsc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236206215 819368598 /nfs/dbraw/zinc/36/85/98/819368598.db2.gz JGLUTSGBCRHABC-MRXNPFEDSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207464 819370015 /nfs/dbraw/zinc/37/00/15/819370015.db2.gz OEDZLTPXODAGQI-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207464 819370023 /nfs/dbraw/zinc/37/00/23/819370023.db2.gz OEDZLTPXODAGQI-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP C[N@H+](Cc1ccc2occc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236208152 819370539 /nfs/dbraw/zinc/37/05/39/819370539.db2.gz RCMUHQSKKWIVAO-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1ccc2occc2c1)[C@]1(C)CCC[NH2+]C1 ZINC001236208152 819370543 /nfs/dbraw/zinc/37/05/43/819370543.db2.gz RCMUHQSKKWIVAO-MRXNPFEDSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215196 819378543 /nfs/dbraw/zinc/37/85/43/819378543.db2.gz WSRGAXYCYUKCPN-JKSUJKDBSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215196 819378550 /nfs/dbraw/zinc/37/85/50/819378550.db2.gz WSRGAXYCYUKCPN-JKSUJKDBSA-N 2 2 276.424 3.176 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219429 819385415 /nfs/dbraw/zinc/38/54/15/819385415.db2.gz WDDDHURVCOPHMN-DLBZAZTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236219429 819385421 /nfs/dbraw/zinc/38/54/21/819385421.db2.gz WDDDHURVCOPHMN-DLBZAZTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(C[N@H+](C)CCC[NH2+]C2CCCCC2)cn1 ZINC001236262323 819410297 /nfs/dbraw/zinc/41/02/97/819410297.db2.gz WTXOIYLTEXOSEZ-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)cn1 ZINC001236262323 819410304 /nfs/dbraw/zinc/41/03/04/819410304.db2.gz WTXOIYLTEXOSEZ-UHFFFAOYSA-N 2 2 275.440 3.134 20 0 CGADLP CCC[N@H+](Cc1ccc2sc(C)nc2c1)[C@@H]1CC[NH2+]C1 ZINC001236325090 819426698 /nfs/dbraw/zinc/42/66/98/819426698.db2.gz YXXFHPNFNZVUEH-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@@H+](Cc1ccc2sc(C)nc2c1)[C@@H]1CC[NH2+]C1 ZINC001236325090 819426702 /nfs/dbraw/zinc/42/67/02/819426702.db2.gz YXXFHPNFNZVUEH-CQSZACIVSA-N 2 2 289.448 3.179 20 0 CGADLP CCC[N@H+](Cc1cc(CC)c(O)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324895 819427126 /nfs/dbraw/zinc/42/71/26/819427126.db2.gz WJUVZRRZAZLQAP-KRWDZBQOSA-N 2 2 290.451 3.091 20 0 CGADLP CCC[N@@H+](Cc1cc(CC)c(O)c(CC)c1)[C@H]1CC[NH2+]C1 ZINC001236324895 819427131 /nfs/dbraw/zinc/42/71/31/819427131.db2.gz WJUVZRRZAZLQAP-KRWDZBQOSA-N 2 2 290.451 3.091 20 0 CGADLP Fc1ccc(C[N@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388194 819446450 /nfs/dbraw/zinc/44/64/50/819446450.db2.gz KPFLGXBMNNRVDZ-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccc(C[N@@H+](CC2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388194 819446454 /nfs/dbraw/zinc/44/64/54/819446454.db2.gz KPFLGXBMNNRVDZ-KRWDZBQOSA-N 2 2 276.399 3.180 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236416967 819461906 /nfs/dbraw/zinc/46/19/06/819461906.db2.gz BITRTJOIQYOKQB-FZMZJTMJSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236416967 819461910 /nfs/dbraw/zinc/46/19/10/819461910.db2.gz BITRTJOIQYOKQB-FZMZJTMJSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421330 819467971 /nfs/dbraw/zinc/46/79/71/819467971.db2.gz UGVCMVLGYDMUQO-YOEHRIQHSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236421330 819467974 /nfs/dbraw/zinc/46/79/74/819467974.db2.gz UGVCMVLGYDMUQO-YOEHRIQHSA-N 2 2 276.424 3.094 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1 ZINC001236438014 819479515 /nfs/dbraw/zinc/47/95/15/819479515.db2.gz ZUYRYQUECOFHNW-UHFFFAOYSA-N 2 2 294.402 3.329 20 0 CGADLP CCOc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001236470850 819491350 /nfs/dbraw/zinc/49/13/50/819491350.db2.gz QXVMBCRTGKSSPX-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC001236470850 819491356 /nfs/dbraw/zinc/49/13/56/819491356.db2.gz QXVMBCRTGKSSPX-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)cc21 ZINC001236530445 819522984 /nfs/dbraw/zinc/52/29/84/819522984.db2.gz QCQXSXGJVLIFDC-QGZVFWFLSA-N 2 2 285.435 3.234 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)cc21 ZINC001236530445 819522988 /nfs/dbraw/zinc/52/29/88/819522988.db2.gz QCQXSXGJVLIFDC-QGZVFWFLSA-N 2 2 285.435 3.234 20 0 CGADLP c1ccc2c(c1)CC(C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1)C2 ZINC001236648932 819560603 /nfs/dbraw/zinc/56/06/03/819560603.db2.gz UKYVYJBRONFYGX-FQEVSTJZSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC(C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1)C2 ZINC001236648932 819560607 /nfs/dbraw/zinc/56/06/07/819560607.db2.gz UKYVYJBRONFYGX-FQEVSTJZSA-N 2 2 298.474 3.398 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684632 819571661 /nfs/dbraw/zinc/57/16/61/819571661.db2.gz TXNHQNIDTYCZMN-GOEBONIOSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684632 819571665 /nfs/dbraw/zinc/57/16/65/819571665.db2.gz TXNHQNIDTYCZMN-GOEBONIOSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684632 819571673 /nfs/dbraw/zinc/57/16/73/819571673.db2.gz TXNHQNIDTYCZMN-GOEBONIOSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4sccc43)C[C@H]21 ZINC001236684632 819571678 /nfs/dbraw/zinc/57/16/78/819571678.db2.gz TXNHQNIDTYCZMN-GOEBONIOSA-N 2 2 286.444 3.427 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc(C)o2)cc1 ZINC001236870072 819628019 /nfs/dbraw/zinc/62/80/19/819628019.db2.gz PKSPNGIHDFXKSU-INIZCTEOSA-N 2 2 272.392 3.424 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc(C)o2)cc1 ZINC001236870072 819628025 /nfs/dbraw/zinc/62/80/25/819628025.db2.gz PKSPNGIHDFXKSU-INIZCTEOSA-N 2 2 272.392 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236898907 819633483 /nfs/dbraw/zinc/63/34/83/819633483.db2.gz ALZFRPPJFYVRPP-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236898907 819633486 /nfs/dbraw/zinc/63/34/86/819633486.db2.gz ALZFRPPJFYVRPP-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Oc1cc2ccccc2c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001237070362 819658683 /nfs/dbraw/zinc/65/86/83/819658683.db2.gz DMLPBOXUFKJAFE-UHFFFAOYSA-N 2 2 296.414 3.216 20 0 CGADLP Cn1c(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001237154164 819681600 /nfs/dbraw/zinc/68/16/00/819681600.db2.gz KMJPHNQIWKZCHE-QGZVFWFLSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1c(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001237154164 819681604 /nfs/dbraw/zinc/68/16/04/819681604.db2.gz KMJPHNQIWKZCHE-QGZVFWFLSA-N 2 2 297.446 3.285 20 0 CGADLP Cc1sccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160217 819684662 /nfs/dbraw/zinc/68/46/62/819684662.db2.gz HRGRAXZOHSYNCW-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1sccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160217 819684666 /nfs/dbraw/zinc/68/46/66/819684666.db2.gz HRGRAXZOHSYNCW-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP CCc1cc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)ccc1Cl ZINC001237742297 819834246 /nfs/dbraw/zinc/83/42/46/819834246.db2.gz RROKYLDIHGVNOM-HOTGVXAUSA-N 2 2 292.854 3.286 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC(C(F)F)C3)cc21 ZINC001237877872 819866061 /nfs/dbraw/zinc/86/60/61/819866061.db2.gz DYJNIFBGPPQASH-UHFFFAOYSA-N 2 2 292.373 3.385 20 0 CGADLP COc1ccc(C)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239769092 820590330 /nfs/dbraw/zinc/59/03/30/820590330.db2.gz ZDENNOCFINKZFU-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239769092 820590335 /nfs/dbraw/zinc/59/03/35/820590335.db2.gz ZDENNOCFINKZFU-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ccc(-c2ccn3cc[nH+]c3c2)c(C[NH+](C)C)c1 ZINC001240518357 821115432 /nfs/dbraw/zinc/11/54/32/821115432.db2.gz OJHNQOROQHZCKN-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Nc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001241389157 821787697 /nfs/dbraw/zinc/78/76/97/821787697.db2.gz ZXBWXVZJMAOUBL-UHFFFAOYSA-N 2 2 267.376 3.317 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1N ZINC001241885637 822195300 /nfs/dbraw/zinc/19/53/00/822195300.db2.gz HZWKVPUDTFEYTA-GOSISDBHSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc(C)c1N ZINC001241885637 822195303 /nfs/dbraw/zinc/19/53/03/822195303.db2.gz HZWKVPUDTFEYTA-GOSISDBHSA-N 2 2 295.430 3.086 20 0 CGADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)c(F)c1 ZINC001343318506 936494397 /nfs/dbraw/zinc/49/43/97/936494397.db2.gz IHGQHHOQEOBKOH-UHFFFAOYSA-N 2 2 294.389 3.114 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC001348654981 936929371 /nfs/dbraw/zinc/92/93/71/936929371.db2.gz QHBWOXDSFOILFY-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC001348654981 936929375 /nfs/dbraw/zinc/92/93/75/936929375.db2.gz QHBWOXDSFOILFY-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP Cc1cc(F)cc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]1 ZINC001354079475 937089357 /nfs/dbraw/zinc/08/93/57/937089357.db2.gz MOVSKYSRTBJWNF-UHFFFAOYSA-N 2 2 279.403 3.086 20 0 CGADLP Cc1cc(F)cc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]1 ZINC001354079475 937089359 /nfs/dbraw/zinc/08/93/59/937089359.db2.gz MOVSKYSRTBJWNF-UHFFFAOYSA-N 2 2 279.403 3.086 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001459578846 937492602 /nfs/dbraw/zinc/49/26/02/937492602.db2.gz MJAVMDVLYZYTIJ-KRWDZBQOSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001459578846 937492604 /nfs/dbraw/zinc/49/26/04/937492604.db2.gz MJAVMDVLYZYTIJ-KRWDZBQOSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)n1 ZINC001459578846 937492606 /nfs/dbraw/zinc/49/26/06/937492606.db2.gz MJAVMDVLYZYTIJ-KRWDZBQOSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC001459578846 937492609 /nfs/dbraw/zinc/49/26/09/937492609.db2.gz MJAVMDVLYZYTIJ-KRWDZBQOSA-N 2 2 289.467 3.313 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647772 937538018 /nfs/dbraw/zinc/53/80/18/937538018.db2.gz AYSAZFOEUFDKAC-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647772 937538019 /nfs/dbraw/zinc/53/80/19/937538019.db2.gz AYSAZFOEUFDKAC-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647772 937538021 /nfs/dbraw/zinc/53/80/21/937538021.db2.gz AYSAZFOEUFDKAC-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647772 937538024 /nfs/dbraw/zinc/53/80/24/937538024.db2.gz AYSAZFOEUFDKAC-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1C ZINC001460987830 937557643 /nfs/dbraw/zinc/55/76/43/937557643.db2.gz FBLODBCYQYZAOE-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1C ZINC001460987830 937557646 /nfs/dbraw/zinc/55/76/46/937557646.db2.gz FBLODBCYQYZAOE-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)c1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001461269796 937573303 /nfs/dbraw/zinc/57/33/03/937573303.db2.gz WQDODKSKGPBSCK-KRWDZBQOSA-N 2 2 292.492 3.337 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001308291656 933090302 /nfs/dbraw/zinc/09/03/02/933090302.db2.gz CMVHNCXFIUHWFA-RDJZCZTQSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415553 933107630 /nfs/dbraw/zinc/10/76/30/933107630.db2.gz YGQGXYGANWYMHI-KURKYZTESA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001308415553 933107633 /nfs/dbraw/zinc/10/76/33/933107633.db2.gz YGQGXYGANWYMHI-KURKYZTESA-N 2 2 296.499 3.028 20 0 CGADLP CC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)C(F)F)CC1 ZINC001462679665 937658795 /nfs/dbraw/zinc/65/87/95/937658795.db2.gz CRYSNVOHLZRXBC-OAHLLOKOSA-N 2 2 282.378 3.314 20 0 CGADLP C[C@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001308682966 933157250 /nfs/dbraw/zinc/15/72/50/933157250.db2.gz JDWVLHANAXXQBS-MRXNPFEDSA-N 3 2 295.515 3.103 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC001308743028 933168726 /nfs/dbraw/zinc/16/87/26/933168726.db2.gz YIOQRBJUXFLFIV-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC001308743028 933168730 /nfs/dbraw/zinc/16/87/30/933168730.db2.gz YIOQRBJUXFLFIV-IBGZPJMESA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001323967921 934444308 /nfs/dbraw/zinc/44/43/08/934444308.db2.gz NFRURPHRGROLKP-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001323967921 934444313 /nfs/dbraw/zinc/44/43/13/934444313.db2.gz NFRURPHRGROLKP-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP CC[NH+](CC)C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC001328491390 935143156 /nfs/dbraw/zinc/14/31/56/935143156.db2.gz KIZMDMUPLWNQLB-UHFFFAOYSA-N 2 2 298.434 3.128 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC001334233183 936092809 /nfs/dbraw/zinc/09/28/09/936092809.db2.gz GICSKMXLDUORGB-UHFFFAOYSA-N 2 2 299.393 3.340 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001473894986 937828403 /nfs/dbraw/zinc/82/84/03/937828403.db2.gz WRUUWAPNKQZFRA-KRWDZBQOSA-N 2 2 299.393 3.426 20 0 CGADLP CNc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001474308434 937850612 /nfs/dbraw/zinc/85/06/12/937850612.db2.gz OLSQNBRFIFUBNL-AWEZNQCLSA-N 2 2 284.407 3.139 20 0 CGADLP CNc1ccc(C)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001474308434 937850614 /nfs/dbraw/zinc/85/06/14/937850614.db2.gz OLSQNBRFIFUBNL-AWEZNQCLSA-N 2 2 284.407 3.139 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1Cl ZINC001474671648 937873851 /nfs/dbraw/zinc/87/38/51/937873851.db2.gz ZTDRETRKRDBMLP-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1Cl ZINC001474671648 937873853 /nfs/dbraw/zinc/87/38/53/937873853.db2.gz ZTDRETRKRDBMLP-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1Cl ZINC001474671648 937873855 /nfs/dbraw/zinc/87/38/55/937873855.db2.gz ZTDRETRKRDBMLP-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1Cl ZINC001474671648 937873856 /nfs/dbraw/zinc/87/38/56/937873856.db2.gz ZTDRETRKRDBMLP-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001550130515 938162949 /nfs/dbraw/zinc/16/29/49/938162949.db2.gz XYMWUYTUAORPJA-UONOGXRCSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001550130515 938162950 /nfs/dbraw/zinc/16/29/50/938162950.db2.gz XYMWUYTUAORPJA-UONOGXRCSA-N 2 2 297.393 3.425 20 0 CGADLP Cc1ccc2[nH]c(N3CCC4(CC3)CC[NH+](C)CC4)[nH+]c2c1 ZINC001550637861 938169276 /nfs/dbraw/zinc/16/92/76/938169276.db2.gz RCSAYWZODNOUFA-UHFFFAOYSA-N 2 2 298.434 3.184 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1 ZINC001551378086 938180677 /nfs/dbraw/zinc/18/06/77/938180677.db2.gz MAQNTLBZPHMHAM-BZSNNMDCSA-N 2 2 266.388 3.352 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001551400500 938181515 /nfs/dbraw/zinc/18/15/15/938181515.db2.gz AZBHENRVWFMMIT-RBUKOAKNSA-N 2 2 296.414 3.188 20 0 CGADLP Cc1ccc2[nH+]cc(CNc3ccc([C@H]4C[C@@H]4[NH3+])cc3)n2c1 ZINC001553857975 938200931 /nfs/dbraw/zinc/20/09/31/938200931.db2.gz RZUQNZSGAZGZPQ-SJORKVTESA-N 2 2 292.386 3.069 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC001560262245 938249788 /nfs/dbraw/zinc/24/97/88/938249788.db2.gz VFQUGWUPOIXEHB-BBWFWOEESA-N 2 2 264.457 3.443 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001560262603 938249992 /nfs/dbraw/zinc/24/99/92/938249992.db2.gz IKLGWCHVIJYQOZ-HNNXBMFYSA-N 2 2 292.386 3.123 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560530994 938261854 /nfs/dbraw/zinc/26/18/54/938261854.db2.gz QNUXGRFZYTZKEY-QZTJIDSGSA-N 2 2 286.463 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001560530994 938261855 /nfs/dbraw/zinc/26/18/55/938261855.db2.gz QNUXGRFZYTZKEY-QZTJIDSGSA-N 2 2 286.463 3.396 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1C ZINC001560909350 938283177 /nfs/dbraw/zinc/28/31/77/938283177.db2.gz ROIGAFJFTMZVBJ-DRRXZNNHSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1C ZINC001560909350 938283178 /nfs/dbraw/zinc/28/31/78/938283178.db2.gz ROIGAFJFTMZVBJ-DRRXZNNHSA-N 2 2 264.457 3.418 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC2(C)C)C1 ZINC001560942290 938285387 /nfs/dbraw/zinc/28/53/87/938285387.db2.gz LYEKVUNLNMRONN-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC2(C)C)C1 ZINC001560942290 938285388 /nfs/dbraw/zinc/28/53/88/938285388.db2.gz LYEKVUNLNMRONN-LSDHHAIUSA-N 2 2 252.446 3.277 20 0 CGADLP CCCC[C@H](CC)CCC[N@H+](C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC001577388255 960477694 /nfs/dbraw/zinc/47/76/94/960477694.db2.gz MPNGKSQSQJFKOS-BBWFWOEESA-N 2 2 284.488 3.028 20 0 CGADLP CCCC[C@H](CC)CCC[N@@H+](C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC001577388255 960477701 /nfs/dbraw/zinc/47/77/01/960477701.db2.gz MPNGKSQSQJFKOS-BBWFWOEESA-N 2 2 284.488 3.028 20 0 CGADLP CC1(C)C[C@]1(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560573239 960609154 /nfs/dbraw/zinc/60/91/54/960609154.db2.gz OQBFNLMCPFPAKL-OAHLLOKOSA-N 2 2 275.421 3.460 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001575130759 962350445 /nfs/dbraw/zinc/35/04/45/962350445.db2.gz PSGQUNZVOMYHHJ-DOTOQJQBSA-N 2 2 290.451 3.293 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001575130759 962350459 /nfs/dbraw/zinc/35/04/59/962350459.db2.gz PSGQUNZVOMYHHJ-DOTOQJQBSA-N 2 2 290.451 3.293 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(c2cccnc2)CC1 ZINC001575130282 962358649 /nfs/dbraw/zinc/35/86/49/962358649.db2.gz IOPIUNWIPJXKQB-QGZVFWFLSA-N 2 2 289.467 3.415 20 0 CGADLP COc1ccccc1C1([NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC001579302040 962624286 /nfs/dbraw/zinc/62/42/86/962624286.db2.gz GIWFIGPJOHIFDY-CQSZACIVSA-N 2 2 290.451 3.428 20 0 CGADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1F ZINC001580030456 962684662 /nfs/dbraw/zinc/68/46/62/962684662.db2.gz MZQMAXJUDDLFBC-QDLOVBKTSA-N 2 2 292.373 3.242 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCC3CC3)C2)n2c1CCCC2 ZINC000337428984 214078687 /nfs/dbraw/zinc/07/86/87/214078687.db2.gz DITQZXBQHKVVFY-OAHLLOKOSA-N 2 2 273.424 3.199 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@H+](CCC3CC3)C2)n2c1CCCC2 ZINC000337428984 214078690 /nfs/dbraw/zinc/07/86/90/214078690.db2.gz DITQZXBQHKVVFY-OAHLLOKOSA-N 2 2 273.424 3.199 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c2ccccc12 ZINC000337518787 214134510 /nfs/dbraw/zinc/13/45/10/214134510.db2.gz SCULTLNBUQTLNJ-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c2ccccc12 ZINC000337518787 214134513 /nfs/dbraw/zinc/13/45/13/214134513.db2.gz SCULTLNBUQTLNJ-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000337522391 214135910 /nfs/dbraw/zinc/13/59/10/214135910.db2.gz QALDMTCPADJDBW-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000337522391 214135912 /nfs/dbraw/zinc/13/59/12/214135912.db2.gz QALDMTCPADJDBW-INIZCTEOSA-N 2 2 258.409 3.041 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000125076081 187168520 /nfs/dbraw/zinc/16/85/20/187168520.db2.gz UCPQOTKTGLCFCJ-UHFFFAOYSA-N 2 2 284.806 3.442 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)s1 ZINC000621721496 349566208 /nfs/dbraw/zinc/56/62/08/349566208.db2.gz QRJFXZNYMFWEJG-CJNGLKHVSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)s1 ZINC000621721496 349566212 /nfs/dbraw/zinc/56/62/12/349566212.db2.gz QRJFXZNYMFWEJG-CJNGLKHVSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)s1 ZINC000621721496 349566218 /nfs/dbraw/zinc/56/62/18/349566218.db2.gz QRJFXZNYMFWEJG-CJNGLKHVSA-N 2 2 278.465 3.227 20 0 CGADLP CCCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000621721496 349566223 /nfs/dbraw/zinc/56/62/23/349566223.db2.gz QRJFXZNYMFWEJG-CJNGLKHVSA-N 2 2 278.465 3.227 20 0 CGADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000651667060 398265184 /nfs/dbraw/zinc/26/51/84/398265184.db2.gz WNUBHEYPTXKSPR-ZDUSSCGKSA-N 2 2 293.773 3.343 20 0 CGADLP c1c(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)[nH+]c2ccccn12 ZINC000337989792 214347488 /nfs/dbraw/zinc/34/74/88/214347488.db2.gz OMTNMPCFXJGYDB-JKSUJKDBSA-N 2 2 269.392 3.045 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@@H+]1CCCC[C@H]1C ZINC000338004931 214355062 /nfs/dbraw/zinc/35/50/62/214355062.db2.gz YRXCQBPLFAIACE-SRABZTEZSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@H+]1CCCC[C@H]1C ZINC000338004931 214355064 /nfs/dbraw/zinc/35/50/64/214355064.db2.gz YRXCQBPLFAIACE-SRABZTEZSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC4(CCC4)C3)n2c1 ZINC000652042241 398319873 /nfs/dbraw/zinc/31/98/73/398319873.db2.gz RJZVZVDECUXRBX-UHFFFAOYSA-N 2 2 255.365 3.065 20 0 CGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414216766 529473543 /nfs/dbraw/zinc/47/35/43/529473543.db2.gz XDAFCQMAKQVNSS-XYPHTWIQSA-N 2 2 285.391 3.090 20 0 CGADLP CC[C@@H](F)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782053 529550968 /nfs/dbraw/zinc/55/09/68/529550968.db2.gz UQOHIASATNQKGB-IAGOWNOFSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782053 529550971 /nfs/dbraw/zinc/55/09/71/529550971.db2.gz UQOHIASATNQKGB-IAGOWNOFSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440782053 529550975 /nfs/dbraw/zinc/55/09/75/529550975.db2.gz UQOHIASATNQKGB-IAGOWNOFSA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440782053 529550976 /nfs/dbraw/zinc/55/09/76/529550976.db2.gz UQOHIASATNQKGB-IAGOWNOFSA-N 2 2 278.415 3.188 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417358809 295683740 /nfs/dbraw/zinc/68/37/40/295683740.db2.gz UOERUKWFEARAMV-CYBMUJFWSA-N 2 2 278.465 3.023 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC1(C)C ZINC000414131108 529589350 /nfs/dbraw/zinc/58/93/50/529589350.db2.gz XJVBUYXVQKCWCI-CVEARBPZSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1cccc(C)c1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089779 349758332 /nfs/dbraw/zinc/75/83/32/349758332.db2.gz XYLAEYWQJHDIJE-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089387 349758407 /nfs/dbraw/zinc/75/84/07/349758407.db2.gz FPXBWVIJQRFSNV-OCCSQVGLSA-N 2 2 288.426 3.378 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@@H]1C ZINC000414077882 529630766 /nfs/dbraw/zinc/63/07/66/529630766.db2.gz ZQDWQBWOVPOXHD-QGTPRVQTSA-N 2 2 283.419 3.456 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCCC[NH2+]1 ZINC000423411641 529631332 /nfs/dbraw/zinc/63/13/32/529631332.db2.gz GCUVIZJQBSBHSW-WMZOPIPTSA-N 2 2 287.451 3.055 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC12CCC2 ZINC000423502563 529616640 /nfs/dbraw/zinc/61/66/40/529616640.db2.gz MBQPXRHLEIBZAA-HZPDHXFCSA-N 2 2 258.409 3.171 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccncc1 ZINC000423440715 529617105 /nfs/dbraw/zinc/61/71/05/529617105.db2.gz VVPIFTRSBKXKHI-ROUUACIJSA-N 2 2 281.403 3.009 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000423501090 529617563 /nfs/dbraw/zinc/61/75/63/529617563.db2.gz KYIDLVHAZSNJQK-BASLNEPJSA-N 2 2 260.425 3.273 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423497422 529618130 /nfs/dbraw/zinc/61/81/30/529618130.db2.gz GYFGSHBVCIXEAP-KURKYZTESA-N 2 2 272.436 3.417 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361651 349789301 /nfs/dbraw/zinc/78/93/01/349789301.db2.gz JECZNBBBEDVCKC-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361651 349789305 /nfs/dbraw/zinc/78/93/05/349789305.db2.gz JECZNBBBEDVCKC-GXTWGEPZSA-N 2 2 294.414 3.358 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423275341 529654726 /nfs/dbraw/zinc/65/47/26/529654726.db2.gz LRTXRMVMBPHAOI-STQMWFEESA-N 2 2 284.350 3.066 20 0 CGADLP C[C@H](CC[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000393532879 260193420 /nfs/dbraw/zinc/19/34/20/260193420.db2.gz DBVIJKYOJBZKDS-OAHLLOKOSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832750 349892705 /nfs/dbraw/zinc/89/27/05/349892705.db2.gz JYHMMURNEWWAPZ-LYRGGWFBSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832750 349892708 /nfs/dbraw/zinc/89/27/08/349892708.db2.gz JYHMMURNEWWAPZ-LYRGGWFBSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000576435341 335203116 /nfs/dbraw/zinc/20/31/16/335203116.db2.gz OTFSLMVHPKACLM-OAHLLOKOSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000576435341 335203114 /nfs/dbraw/zinc/20/31/14/335203114.db2.gz OTFSLMVHPKACLM-OAHLLOKOSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)n1 ZINC000623867616 349900394 /nfs/dbraw/zinc/90/03/94/349900394.db2.gz GANJOJURRRPVDS-JSGCOSHPSA-N 2 2 281.469 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1cccc(Br)c1 ZINC000423239388 529978535 /nfs/dbraw/zinc/97/85/35/529978535.db2.gz GFPNMFIIBDQJMZ-AWEZNQCLSA-N 2 2 299.256 3.345 20 0 CGADLP C[N@H+](Cc1cc[nH]n1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258891 529982048 /nfs/dbraw/zinc/98/20/48/529982048.db2.gz MRBMHGICRRWSPP-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@@H+](Cc1cc[nH]n1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258891 529982049 /nfs/dbraw/zinc/98/20/49/529982049.db2.gz MRBMHGICRRWSPP-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000351595712 219139334 /nfs/dbraw/zinc/13/93/34/219139334.db2.gz GDKXKITYNMNWGJ-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000351595712 219139336 /nfs/dbraw/zinc/13/93/36/219139336.db2.gz GDKXKITYNMNWGJ-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000037997491 344953968 /nfs/dbraw/zinc/95/39/68/344953968.db2.gz OGKABGLMFZNBFU-ZDUSSCGKSA-N 2 2 282.378 3.176 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188567 345244125 /nfs/dbraw/zinc/24/41/25/345244125.db2.gz QMKQEKUYWBJVTM-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188567 345244128 /nfs/dbraw/zinc/24/41/28/345244128.db2.gz QMKQEKUYWBJVTM-ZWKOTPCHSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000273246013 192086258 /nfs/dbraw/zinc/08/62/58/192086258.db2.gz VFNKKPMMYDHJAJ-HNNXBMFYSA-N 2 2 268.404 3.401 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000623959179 349927781 /nfs/dbraw/zinc/92/77/81/349927781.db2.gz JBOFWRWHJGFVJL-KGLIPLIRSA-N 2 2 281.469 3.367 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000623962385 349930021 /nfs/dbraw/zinc/93/00/21/349930021.db2.gz FPHNJUHCQQSUDO-IDCNUPLLSA-N 2 2 290.451 3.225 20 0 CGADLP O=C(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000295116344 199353432 /nfs/dbraw/zinc/35/34/32/199353432.db2.gz WDNMOBVNSYQXLE-UHFFFAOYSA-N 2 2 297.402 3.252 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000157194944 232231857 /nfs/dbraw/zinc/23/18/57/232231857.db2.gz TWCNZILOUBQVER-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000091375379 345812890 /nfs/dbraw/zinc/81/28/90/345812890.db2.gz ZKQPKFILMOYUQO-AEFFLSMTSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000090046649 345778733 /nfs/dbraw/zinc/77/87/33/345778733.db2.gz ZARQDYMYBMKOEC-IRXDYDNUSA-N 2 2 290.451 3.065 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090846601 345795537 /nfs/dbraw/zinc/79/55/37/345795537.db2.gz UBFMINNRNQJTLL-CQSZACIVSA-N 2 2 270.376 3.292 20 0 CGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000090846964 345796052 /nfs/dbraw/zinc/79/60/52/345796052.db2.gz KMLLSWNETUFGLU-AWEZNQCLSA-N 2 2 297.402 3.242 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]CCc1cc[nH+]cc1C)CCC2 ZINC000090846921 345796600 /nfs/dbraw/zinc/79/66/00/345796600.db2.gz VWSVNJVLGMLMNQ-AWEZNQCLSA-N 2 2 287.432 3.365 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865695 345890785 /nfs/dbraw/zinc/89/07/85/345890785.db2.gz IIFQRJQJSIPQCH-MRXNPFEDSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865695 345890790 /nfs/dbraw/zinc/89/07/90/345890790.db2.gz IIFQRJQJSIPQCH-MRXNPFEDSA-N 2 2 290.313 3.013 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093741960 345886898 /nfs/dbraw/zinc/88/68/98/345886898.db2.gz AKXJYKFUVNQJSM-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093741960 345886900 /nfs/dbraw/zinc/88/69/00/345886900.db2.gz AKXJYKFUVNQJSM-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093741960 345886901 /nfs/dbraw/zinc/88/69/01/345886901.db2.gz AKXJYKFUVNQJSM-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093741960 345886902 /nfs/dbraw/zinc/88/69/02/345886902.db2.gz AKXJYKFUVNQJSM-CQSZACIVSA-N 2 2 295.496 3.430 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042844 346046716 /nfs/dbraw/zinc/04/67/16/346046716.db2.gz UVGPZKGJXZODQJ-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000129042844 346046720 /nfs/dbraw/zinc/04/67/20/346046720.db2.gz UVGPZKGJXZODQJ-OCCSQVGLSA-N 2 2 287.432 3.122 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000131390987 346065091 /nfs/dbraw/zinc/06/50/91/346065091.db2.gz RECQTMCDWXHIMV-UHFFFAOYSA-N 3 2 295.515 3.105 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436255 346065104 /nfs/dbraw/zinc/06/51/04/346065104.db2.gz CTNUUTHAGLQDAY-NOZJJQNGSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436255 346065106 /nfs/dbraw/zinc/06/51/06/346065106.db2.gz CTNUUTHAGLQDAY-NOZJJQNGSA-N 2 2 273.207 3.305 20 0 CGADLP CC(C)C1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000174318444 346240655 /nfs/dbraw/zinc/24/06/55/346240655.db2.gz IVPSDUGCYYGMEJ-FHERZECASA-N 2 2 263.429 3.324 20 0 CGADLP Oc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000236596121 346341460 /nfs/dbraw/zinc/34/14/60/346341460.db2.gz HAUIHSTXMYZCMW-KRWDZBQOSA-N 2 2 285.391 3.036 20 0 CGADLP c1ccc(CCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250818726 346386640 /nfs/dbraw/zinc/38/66/40/346386640.db2.gz QDELCNDZTPZUJM-MSOLQXFVSA-N 2 2 272.436 3.226 20 0 CGADLP c1ccc(CCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250818726 346386643 /nfs/dbraw/zinc/38/66/43/346386643.db2.gz QDELCNDZTPZUJM-MSOLQXFVSA-N 2 2 272.436 3.226 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000251137551 346387969 /nfs/dbraw/zinc/38/79/69/346387969.db2.gz AQGKYQIJXIOWKP-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000251137551 346387974 /nfs/dbraw/zinc/38/79/74/346387974.db2.gz AQGKYQIJXIOWKP-SJORKVTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CSCCF ZINC000595002950 347253763 /nfs/dbraw/zinc/25/37/63/347253763.db2.gz CIFNHPGWGCRILB-LBPRGKRZSA-N 2 2 295.427 3.026 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847539 219223548 /nfs/dbraw/zinc/22/35/48/219223548.db2.gz AGHASZVLJFEGOR-TZMCWYRMSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847539 219223550 /nfs/dbraw/zinc/22/35/50/219223550.db2.gz AGHASZVLJFEGOR-TZMCWYRMSA-N 2 2 293.480 3.360 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000339406302 215150670 /nfs/dbraw/zinc/15/06/70/215150670.db2.gz DZXNKPSKBGCJOT-GFCCVEGCSA-N 2 2 283.485 3.246 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000339406302 215150672 /nfs/dbraw/zinc/15/06/72/215150672.db2.gz DZXNKPSKBGCJOT-GFCCVEGCSA-N 2 2 283.485 3.246 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC000608561984 348318050 /nfs/dbraw/zinc/31/80/50/348318050.db2.gz DPSOKKIXAWACBU-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC000608561984 348318054 /nfs/dbraw/zinc/31/80/54/348318054.db2.gz DPSOKKIXAWACBU-INIZCTEOSA-N 2 2 261.413 3.490 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000339471285 215194554 /nfs/dbraw/zinc/19/45/54/215194554.db2.gz XJVIYPRCOIURTI-RYSNWHEDSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000339471285 215194556 /nfs/dbraw/zinc/19/45/56/215194556.db2.gz XJVIYPRCOIURTI-RYSNWHEDSA-N 2 2 250.430 3.026 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000273385749 192134272 /nfs/dbraw/zinc/13/42/72/192134272.db2.gz NOBNACPFGSIAQG-ZDUSSCGKSA-N 2 2 296.374 3.197 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188590 349996352 /nfs/dbraw/zinc/99/63/52/349996352.db2.gz XRYOSXSCAAKBLO-AAEUAGOBSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188590 349996354 /nfs/dbraw/zinc/99/63/54/349996354.db2.gz XRYOSXSCAAKBLO-AAEUAGOBSA-N 2 2 278.362 3.324 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358067594 233050909 /nfs/dbraw/zinc/05/09/09/233050909.db2.gz XNAAZICCQVBSAZ-NHYWBVRUSA-N 2 2 290.382 3.310 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358067594 233050910 /nfs/dbraw/zinc/05/09/10/233050910.db2.gz XNAAZICCQVBSAZ-NHYWBVRUSA-N 2 2 290.382 3.310 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378106 233120051 /nfs/dbraw/zinc/12/00/51/233120051.db2.gz JRDUKVWWYIRQKY-DOXZYTNZSA-N 2 2 295.430 3.349 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000358378106 233120054 /nfs/dbraw/zinc/12/00/54/233120054.db2.gz JRDUKVWWYIRQKY-DOXZYTNZSA-N 2 2 295.430 3.349 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000619771027 349284661 /nfs/dbraw/zinc/28/46/61/349284661.db2.gz IOLLHUAYCUCGBE-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000619771027 349284664 /nfs/dbraw/zinc/28/46/64/349284664.db2.gz IOLLHUAYCUCGBE-CVEARBPZSA-N 2 2 252.446 3.443 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624270267 350015686 /nfs/dbraw/zinc/01/56/86/350015686.db2.gz CRIQSVMZJGGJJR-ULQDDVLXSA-N 2 2 276.399 3.146 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000624270267 350015689 /nfs/dbraw/zinc/01/56/89/350015689.db2.gz CRIQSVMZJGGJJR-ULQDDVLXSA-N 2 2 276.399 3.146 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625438543 350171906 /nfs/dbraw/zinc/17/19/06/350171906.db2.gz VVZUNWBQJHXFLO-UHFFFAOYSA-N 2 2 275.783 3.054 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625438543 350171910 /nfs/dbraw/zinc/17/19/10/350171910.db2.gz VVZUNWBQJHXFLO-UHFFFAOYSA-N 2 2 275.783 3.054 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000271356263 191092824 /nfs/dbraw/zinc/09/28/24/191092824.db2.gz DXKSQMZQDQTRLW-INIZCTEOSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1ccncc1[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000271356263 191092827 /nfs/dbraw/zinc/09/28/27/191092827.db2.gz DXKSQMZQDQTRLW-INIZCTEOSA-N 2 2 283.419 3.173 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000628233643 350455102 /nfs/dbraw/zinc/45/51/02/350455102.db2.gz NOWOASNMIULXNC-JKSUJKDBSA-N 2 2 260.425 3.030 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000628233643 350455103 /nfs/dbraw/zinc/45/51/03/350455103.db2.gz NOWOASNMIULXNC-JKSUJKDBSA-N 2 2 260.425 3.030 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000628242258 350463414 /nfs/dbraw/zinc/46/34/14/350463414.db2.gz YFWRIYOZBMUPMA-RBSFLKMASA-N 2 2 261.413 3.004 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000628280587 350476709 /nfs/dbraw/zinc/47/67/09/350476709.db2.gz WSVMMDIRLKGCAZ-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000628280587 350476712 /nfs/dbraw/zinc/47/67/12/350476712.db2.gz WSVMMDIRLKGCAZ-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000352209430 219362583 /nfs/dbraw/zinc/36/25/83/219362583.db2.gz BNIPRSOSXFWSPK-MRXNPFEDSA-N 2 2 298.430 3.045 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000352209430 219362586 /nfs/dbraw/zinc/36/25/86/219362586.db2.gz BNIPRSOSXFWSPK-MRXNPFEDSA-N 2 2 298.430 3.045 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000628328637 350503599 /nfs/dbraw/zinc/50/35/99/350503599.db2.gz RHKNDRKFBQZFOX-IACUBPJLSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC(F)(F)C1 ZINC000628328637 350503603 /nfs/dbraw/zinc/50/36/03/350503603.db2.gz RHKNDRKFBQZFOX-IACUBPJLSA-N 2 2 272.383 3.027 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000629526970 350702259 /nfs/dbraw/zinc/70/22/59/350702259.db2.gz GLLMJYAZTAVBQN-XHSDSOJGSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C[NH2+]1 ZINC000629540206 350706581 /nfs/dbraw/zinc/70/65/81/350706581.db2.gz RGPARSITUXHHMD-UNEWFSDZSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000629539272 350706687 /nfs/dbraw/zinc/70/66/87/350706687.db2.gz NPWHSDTZVYUIRB-JFGNBEQYSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000629544160 350709253 /nfs/dbraw/zinc/70/92/53/350709253.db2.gz HNCDNZIWPCKWCA-MWLCHTKSSA-N 2 2 292.370 3.387 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000629545399 350709314 /nfs/dbraw/zinc/70/93/14/350709314.db2.gz DJUANHKNHXDLCY-ZWKOPEQDSA-N 2 2 282.840 3.217 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H](C)c1nc2ccccc2s1 ZINC000629545218 350709417 /nfs/dbraw/zinc/70/94/17/350709417.db2.gz AUCUWTRDIILAHA-FVCCEPFGSA-N 2 2 289.448 3.128 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000629549192 350711388 /nfs/dbraw/zinc/71/13/88/350711388.db2.gz GPEPFRLFNIRWNF-MSOLQXFVSA-N 2 2 295.430 3.369 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000629650297 350730556 /nfs/dbraw/zinc/73/05/56/350730556.db2.gz NGJJLKNERQAIBI-LBPRGKRZSA-N 2 2 291.464 3.494 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629655806 350731119 /nfs/dbraw/zinc/73/11/19/350731119.db2.gz YOYABGPSHHFPCD-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629655806 350731122 /nfs/dbraw/zinc/73/11/22/350731122.db2.gz YOYABGPSHHFPCD-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000631114329 350958766 /nfs/dbraw/zinc/95/87/66/350958766.db2.gz BPGZGDTZKAZOPS-XDXAGZTOSA-N 2 2 295.430 3.426 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000631184318 350981869 /nfs/dbraw/zinc/98/18/69/350981869.db2.gz JSGYLQXCOJRUGB-IAGOWNOFSA-N 2 2 281.403 3.255 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC2([C@H]3CCCCO3)CCC2)[nH+]1 ZINC000631246537 351004637 /nfs/dbraw/zinc/00/46/37/351004637.db2.gz WUAKQMJWRFLRKD-MRXNPFEDSA-N 2 2 299.418 3.163 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(C)ccn1 ZINC000631586942 351080450 /nfs/dbraw/zinc/08/04/50/351080450.db2.gz AMRCGSKVIYXBTF-PMPSAXMXSA-N 2 2 275.440 3.304 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(C)ccn1 ZINC000631586942 351080453 /nfs/dbraw/zinc/08/04/53/351080453.db2.gz AMRCGSKVIYXBTF-PMPSAXMXSA-N 2 2 275.440 3.304 20 0 CGADLP Cc1cc(C)c(CN2CCc3ccccc3[C@H]2C[NH3+])c(C)[nH+]1 ZINC000631829227 351148472 /nfs/dbraw/zinc/14/84/72/351148472.db2.gz LGUXWCBFMBKNRR-LJQANCHMSA-N 2 2 295.430 3.065 20 0 CGADLP Cc1cc(C)c(CN2CC[NH2+]C[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000631828310 351148605 /nfs/dbraw/zinc/14/86/05/351148605.db2.gz LLLIPKPMWSIHRZ-IBGZPJMESA-N 2 2 295.430 3.153 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884560 351152035 /nfs/dbraw/zinc/15/20/35/351152035.db2.gz LEXJDEPYGGBNTR-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631884560 351152040 /nfs/dbraw/zinc/15/20/40/351152040.db2.gz LEXJDEPYGGBNTR-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890230 351152525 /nfs/dbraw/zinc/15/25/25/351152525.db2.gz PZVFTSYCFHBOTE-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890230 351152526 /nfs/dbraw/zinc/15/25/26/351152526.db2.gz PZVFTSYCFHBOTE-ABAIWWIYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631891163 351153261 /nfs/dbraw/zinc/15/32/61/351153261.db2.gz YVDRHNHLYAAYSV-DOMZBBRYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631891163 351153265 /nfs/dbraw/zinc/15/32/65/351153265.db2.gz YVDRHNHLYAAYSV-DOMZBBRYSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc(C[NH3+])cc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000634575334 351521573 /nfs/dbraw/zinc/52/15/73/351521573.db2.gz NAYZWNYOJCBJPS-UHFFFAOYSA-N 2 2 267.376 3.116 20 0 CGADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccon3)cc2)CC1 ZINC000634951262 351608026 /nfs/dbraw/zinc/60/80/26/351608026.db2.gz QRTHRCSLIUGHHQ-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994054 351619694 /nfs/dbraw/zinc/61/96/94/351619694.db2.gz PEESJIFPWWKDHA-JLAWEPINSA-N 2 2 284.447 3.083 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994054 351619698 /nfs/dbraw/zinc/61/96/98/351619698.db2.gz PEESJIFPWWKDHA-JLAWEPINSA-N 2 2 284.447 3.083 20 0 CGADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000634996617 351620680 /nfs/dbraw/zinc/62/06/80/351620680.db2.gz PJPKIWONXFGOJM-MKFDVMFOSA-N 2 2 270.420 3.007 20 0 CGADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000634996617 351620683 /nfs/dbraw/zinc/62/06/83/351620683.db2.gz PJPKIWONXFGOJM-MKFDVMFOSA-N 2 2 270.420 3.007 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000122154404 187018273 /nfs/dbraw/zinc/01/82/73/187018273.db2.gz RIPRFYQGWZEZTH-WMZOPIPTSA-N 2 2 289.467 3.318 20 0 CGADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000122154404 187018274 /nfs/dbraw/zinc/01/82/74/187018274.db2.gz RIPRFYQGWZEZTH-WMZOPIPTSA-N 2 2 289.467 3.318 20 0 CGADLP FC1(F)CC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000291724116 198071035 /nfs/dbraw/zinc/07/10/35/198071035.db2.gz MZNLZOREYJFRJI-UHFFFAOYSA-N 2 2 277.318 3.007 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000122308953 187025638 /nfs/dbraw/zinc/02/56/38/187025638.db2.gz YGUPJGHLAPZYBM-BXUZGUMPSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000122308953 187025639 /nfs/dbraw/zinc/02/56/39/187025639.db2.gz YGUPJGHLAPZYBM-BXUZGUMPSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123002057 187064948 /nfs/dbraw/zinc/06/49/48/187064948.db2.gz VSZBTLPZPUOUFA-TYNCELHUSA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000123002057 187064949 /nfs/dbraw/zinc/06/49/49/187064949.db2.gz VSZBTLPZPUOUFA-TYNCELHUSA-N 2 2 262.372 3.102 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000123257106 187081092 /nfs/dbraw/zinc/08/10/92/187081092.db2.gz UHIXEAUPKOXHLP-LBPRGKRZSA-N 2 2 269.348 3.116 20 0 CGADLP C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000123418906 187090657 /nfs/dbraw/zinc/09/06/57/187090657.db2.gz SJGOIMCHPNBDPX-KBPBESRZSA-N 2 2 255.365 3.245 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000271490337 191169509 /nfs/dbraw/zinc/16/95/09/191169509.db2.gz KJFYZPFPJOGXRA-QGZVFWFLSA-N 2 2 270.351 3.349 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC3(CCC3)CC2)[nH+]1 ZINC000367682653 234240771 /nfs/dbraw/zinc/24/07/71/234240771.db2.gz FBLBYPMSUZSRMQ-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000368044724 234273435 /nfs/dbraw/zinc/27/34/35/234273435.db2.gz SVWMKNREEZJONP-UHFFFAOYSA-N 2 2 272.417 3.181 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000368044724 234273439 /nfs/dbraw/zinc/27/34/39/234273439.db2.gz SVWMKNREEZJONP-UHFFFAOYSA-N 2 2 272.417 3.181 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102005 234281008 /nfs/dbraw/zinc/28/10/08/234281008.db2.gz MHZQYHAMFVJPHD-KCQAQPDRSA-N 2 2 269.392 3.049 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102005 234281009 /nfs/dbraw/zinc/28/10/09/234281009.db2.gz MHZQYHAMFVJPHD-KCQAQPDRSA-N 2 2 269.392 3.049 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000152744831 188040523 /nfs/dbraw/zinc/04/05/23/188040523.db2.gz HOQLGXDBSNZOEH-IYBDPMFKSA-N 2 2 267.376 3.104 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000152744831 188040525 /nfs/dbraw/zinc/04/05/25/188040525.db2.gz HOQLGXDBSNZOEH-IYBDPMFKSA-N 2 2 267.376 3.104 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccn1C)c1ccccc1 ZINC000152241496 188004365 /nfs/dbraw/zinc/00/43/65/188004365.db2.gz NXUKFXGHCYUABL-OAHLLOKOSA-N 2 2 285.435 3.244 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000155649625 188219232 /nfs/dbraw/zinc/21/92/32/188219232.db2.gz BUOXNUYCIVMMDH-LLVKDONJSA-N 2 2 299.296 3.133 20 0 CGADLP CC[N@@H+](c1ccc(NCc2c[nH+]cn2C)cc1)C(C)C ZINC000155662502 188220330 /nfs/dbraw/zinc/22/03/30/188220330.db2.gz AOZUEFNPXMBHIC-UHFFFAOYSA-N 2 2 272.396 3.267 20 0 CGADLP CC[N@H+](c1ccc(NCc2c[nH+]cn2C)cc1)C(C)C ZINC000155662502 188220331 /nfs/dbraw/zinc/22/03/31/188220331.db2.gz AOZUEFNPXMBHIC-UHFFFAOYSA-N 2 2 272.396 3.267 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccco1 ZINC000156203999 188248915 /nfs/dbraw/zinc/24/89/15/188248915.db2.gz DDTALUHTKALROC-GFCCVEGCSA-N 2 2 269.348 3.439 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1 ZINC000156590084 188270913 /nfs/dbraw/zinc/27/09/13/188270913.db2.gz FLVPHVCPGCXJIT-CQSZACIVSA-N 2 2 270.380 3.020 20 0 CGADLP CCc1[nH+]ccn1Cc1ccccc1Cn1cc[nH+]c1CC ZINC000158767160 188392907 /nfs/dbraw/zinc/39/29/07/188392907.db2.gz UFZKHXMASWHHSA-UHFFFAOYSA-N 2 2 294.402 3.301 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCC2 ZINC000271822222 191349071 /nfs/dbraw/zinc/34/90/71/191349071.db2.gz CKLJEOBIRLTXTB-DLBZAZTESA-N 2 2 288.435 3.260 20 0 CGADLP Clc1ccc([C@H]2CC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000271879324 191385479 /nfs/dbraw/zinc/38/54/79/191385479.db2.gz BNXXHDGSMSWCLA-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc([C@H]2CC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000271879324 191385482 /nfs/dbraw/zinc/38/54/82/191385482.db2.gz BNXXHDGSMSWCLA-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122234 235341169 /nfs/dbraw/zinc/34/11/69/235341169.db2.gz IFKMBUAQELOWIA-YVEFUNNKSA-N 2 2 287.382 3.015 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000414125084 235341818 /nfs/dbraw/zinc/34/18/18/235341818.db2.gz LVRYFVTUTYQPMH-SFHVURJKSA-N 2 2 283.419 3.484 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000076897705 137940541 /nfs/dbraw/zinc/94/05/41/137940541.db2.gz KQQOORDIKCYPCR-MRXNPFEDSA-N 2 2 298.430 3.040 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000417358155 235626710 /nfs/dbraw/zinc/62/67/10/235626710.db2.gz SOGJQPVESJFSIO-IAGOWNOFSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000091311410 138343684 /nfs/dbraw/zinc/34/36/84/138343684.db2.gz VQULTJPJDIQDDM-KGLIPLIRSA-N 2 2 291.826 3.393 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423231690 236003471 /nfs/dbraw/zinc/00/34/71/236003471.db2.gz AZZLCGULHPMQPV-WMLDXEAASA-N 2 2 283.419 3.103 20 0 CGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423326383 236039277 /nfs/dbraw/zinc/03/92/77/236039277.db2.gz MTWYYYSYCXAUEM-ZJUUUORDSA-N 2 2 293.411 3.255 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000423353986 236048041 /nfs/dbraw/zinc/04/80/41/236048041.db2.gz CJFMERNKCTXBBT-COPLHBTASA-N 2 2 282.428 3.196 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423397303 236063847 /nfs/dbraw/zinc/06/38/47/236063847.db2.gz UQVSCWJIYUBCKS-YPMHNXCESA-N 2 2 282.453 3.186 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423502284 236088496 /nfs/dbraw/zinc/08/84/96/236088496.db2.gz DWUWSTKKUDNDLM-VNQPRFMTSA-N 2 2 286.444 3.463 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1csc(Cl)c1 ZINC000423543826 236096442 /nfs/dbraw/zinc/09/64/42/236096442.db2.gz CEMKVFVUEBJSKI-ONGXEEELSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423568543 236099320 /nfs/dbraw/zinc/09/93/20/236099320.db2.gz VNCMEDOTSLXPDB-VHSXEESVSA-N 2 2 258.818 3.194 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375303 236157676 /nfs/dbraw/zinc/15/76/76/236157676.db2.gz MQDVQFQUCQMKCO-FSPWUOQZSA-N 3 2 298.434 3.101 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424381087 236158983 /nfs/dbraw/zinc/15/89/83/236158983.db2.gz YFESTQPYUCUSCA-FZDIXFNVSA-N 2 2 298.405 3.172 20 0 CGADLP COc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000425347089 236233741 /nfs/dbraw/zinc/23/37/41/236233741.db2.gz XFYRPIKRGLISOO-UHFFFAOYSA-N 2 2 299.418 3.073 20 0 CGADLP COc1ccc2c(c1)CC[N@H+](Cc1c[nH+]cn1C(C)C)CC2 ZINC000425347089 236233743 /nfs/dbraw/zinc/23/37/43/236233743.db2.gz XFYRPIKRGLISOO-UHFFFAOYSA-N 2 2 299.418 3.073 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)c1 ZINC000427878402 236352174 /nfs/dbraw/zinc/35/21/74/236352174.db2.gz AFYLHMCONSMGKC-QZTJIDSGSA-N 2 2 295.430 3.117 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000353988954 283337492 /nfs/dbraw/zinc/33/74/92/283337492.db2.gz YXISQNRNSSTTDA-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000353988954 283337493 /nfs/dbraw/zinc/33/74/93/283337493.db2.gz YXISQNRNSSTTDA-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CSC[C@H]1C ZINC000294894535 199236254 /nfs/dbraw/zinc/23/62/54/199236254.db2.gz YPFUWDBTTDKDKI-DOMZBBRYSA-N 2 2 289.448 3.076 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000294938584 199260455 /nfs/dbraw/zinc/26/04/55/199260455.db2.gz KZMXBBQRFKRFBF-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000294938584 199260457 /nfs/dbraw/zinc/26/04/57/199260457.db2.gz KZMXBBQRFKRFBF-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311038 237078964 /nfs/dbraw/zinc/07/89/64/237078964.db2.gz WQUWSNXBNDBSHS-GKEYINFOSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000436311038 237078969 /nfs/dbraw/zinc/07/89/69/237078969.db2.gz WQUWSNXBNDBSHS-GKEYINFOSA-N 2 2 288.410 3.144 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000341758741 216092616 /nfs/dbraw/zinc/09/26/16/216092616.db2.gz CELMJQUHMIEYQY-KRWDZBQOSA-N 2 2 276.399 3.279 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)C(C)C ZINC000177176833 189033945 /nfs/dbraw/zinc/03/39/45/189033945.db2.gz CWRVAJSEVJEYMW-CQSZACIVSA-N 2 2 272.396 3.134 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)C(C)C ZINC000177176833 189033946 /nfs/dbraw/zinc/03/39/46/189033946.db2.gz CWRVAJSEVJEYMW-CQSZACIVSA-N 2 2 272.396 3.134 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000341996536 216181203 /nfs/dbraw/zinc/18/12/03/216181203.db2.gz RQOHYYHHZFSMAM-UONOGXRCSA-N 2 2 294.414 3.359 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000341996536 216181207 /nfs/dbraw/zinc/18/12/07/216181207.db2.gz RQOHYYHHZFSMAM-UONOGXRCSA-N 2 2 294.414 3.359 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000178343468 189108934 /nfs/dbraw/zinc/10/89/34/189108934.db2.gz PZWBNUZFONJOAA-LLVKDONJSA-N 2 2 290.436 3.308 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000178500028 189121669 /nfs/dbraw/zinc/12/16/69/189121669.db2.gz KSWRDAPAIIPCIM-AEFFLSMTSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000336406253 296020232 /nfs/dbraw/zinc/02/02/32/296020232.db2.gz WTDSMXCWOXGKHC-MLGOLLRUSA-N 2 2 257.381 3.042 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000336406253 296020233 /nfs/dbraw/zinc/02/02/33/296020233.db2.gz WTDSMXCWOXGKHC-MLGOLLRUSA-N 2 2 257.381 3.042 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)Cn1cc[nH+]c1 ZINC000179075709 189166930 /nfs/dbraw/zinc/16/69/30/189166930.db2.gz XFDHGSNYCQFZGJ-NSHDSACASA-N 2 2 281.762 3.102 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180775357 189274416 /nfs/dbraw/zinc/27/44/16/189274416.db2.gz ZJABDTVWKLJPQZ-UHFFFAOYSA-N 2 2 286.375 3.256 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000423053298 283643868 /nfs/dbraw/zinc/64/38/68/283643868.db2.gz AIJGILXUDBEUIG-YESZJQIVSA-N 2 2 298.361 3.384 20 0 CGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccccc1 ZINC000301447426 201010784 /nfs/dbraw/zinc/01/07/84/201010784.db2.gz RNIGVVHLVOONSC-HNNXBMFYSA-N 2 2 298.434 3.489 20 0 CGADLP c1coc(C2=CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000375644102 370688035 /nfs/dbraw/zinc/68/80/35/370688035.db2.gz ZEXGTCRNXMKEIE-UHFFFAOYSA-N 2 2 274.408 3.245 20 0 CGADLP c1coc(C2=CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000375644102 370688043 /nfs/dbraw/zinc/68/80/43/370688043.db2.gz ZEXGTCRNXMKEIE-UHFFFAOYSA-N 2 2 274.408 3.245 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NCCCC[NH+]1CCOCC1 ZINC000301594378 201087740 /nfs/dbraw/zinc/08/77/40/201087740.db2.gz ZOJHEHDEEXMAIG-UHFFFAOYSA-N 2 2 299.418 3.068 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182799558 189335699 /nfs/dbraw/zinc/33/56/99/189335699.db2.gz VTPQPVFCZZEAQA-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182799558 189335700 /nfs/dbraw/zinc/33/57/00/189335700.db2.gz VTPQPVFCZZEAQA-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000301614563 201097871 /nfs/dbraw/zinc/09/78/71/201097871.db2.gz AUCGPDIAMAPZPY-AWEZNQCLSA-N 2 2 291.345 3.383 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000301660083 201120052 /nfs/dbraw/zinc/12/00/52/201120052.db2.gz WZGCRWUBOFXZNU-OAHLLOKOSA-N 2 2 273.355 3.244 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1F ZINC000183214146 189350430 /nfs/dbraw/zinc/35/04/30/189350430.db2.gz MNFVGFSAPLEFOL-NSHDSACASA-N 2 2 280.362 3.242 20 0 CGADLP c1cc2c(s1)CC[N@@H+](CCNc1[nH]c3ccccc3[nH+]1)C2 ZINC000301885142 201247459 /nfs/dbraw/zinc/24/74/59/201247459.db2.gz OJAZOGUGWHTSLZ-UHFFFAOYSA-N 2 2 298.415 3.095 20 0 CGADLP c1cc2c(s1)CC[N@H+](CCNc1[nH]c3ccccc3[nH+]1)C2 ZINC000301885142 201247463 /nfs/dbraw/zinc/24/74/63/201247463.db2.gz OJAZOGUGWHTSLZ-UHFFFAOYSA-N 2 2 298.415 3.095 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449045013 239139725 /nfs/dbraw/zinc/13/97/25/239139725.db2.gz GRMJVYGJRXGQSC-WMZOPIPTSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449045013 239139726 /nfs/dbraw/zinc/13/97/26/239139726.db2.gz GRMJVYGJRXGQSC-WMZOPIPTSA-N 2 2 283.419 3.317 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)[N@H+](C)C1CC1 ZINC000449134436 239198701 /nfs/dbraw/zinc/19/87/01/239198701.db2.gz JEJMZAZSDZBILA-VXGBXAGGSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)[N@@H+](C)C1CC1 ZINC000449134436 239198706 /nfs/dbraw/zinc/19/87/06/239198706.db2.gz JEJMZAZSDZBILA-VXGBXAGGSA-N 2 2 282.378 3.141 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076425 201332790 /nfs/dbraw/zinc/33/27/90/201332790.db2.gz HKIGJUOGFJOGMB-AEFFLSMTSA-N 2 2 296.418 3.205 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000302076425 201332794 /nfs/dbraw/zinc/33/27/94/201332794.db2.gz HKIGJUOGFJOGMB-AEFFLSMTSA-N 2 2 296.418 3.205 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)C[N@@H+]1C1CC1 ZINC000449187648 239231407 /nfs/dbraw/zinc/23/14/07/239231407.db2.gz MQTLIMACYZJUHR-WFASDCNBSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)C[N@H+]1C1CC1 ZINC000449187648 239231412 /nfs/dbraw/zinc/23/14/12/239231412.db2.gz MQTLIMACYZJUHR-WFASDCNBSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000449252692 239272709 /nfs/dbraw/zinc/27/27/09/239272709.db2.gz RJSLCKZNRNXIND-PBHICJAKSA-N 2 2 272.392 3.103 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000449235662 239260522 /nfs/dbraw/zinc/26/05/22/239260522.db2.gz VHXCWSPDICRXPA-JKIFEVAISA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000449235662 239260531 /nfs/dbraw/zinc/26/05/31/239260531.db2.gz VHXCWSPDICRXPA-JKIFEVAISA-N 2 2 286.419 3.436 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119976040 370727628 /nfs/dbraw/zinc/72/76/28/370727628.db2.gz YLXYZVYCGUKVEN-OCCSQVGLSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119976040 370727629 /nfs/dbraw/zinc/72/76/29/370727629.db2.gz YLXYZVYCGUKVEN-OCCSQVGLSA-N 2 2 272.392 3.314 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000119974350 370727942 /nfs/dbraw/zinc/72/79/42/370727942.db2.gz LHOCBVXWSRWSGD-ZACQAIPSSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000451978464 240391450 /nfs/dbraw/zinc/39/14/50/240391450.db2.gz BDXNBSUFEYEUNJ-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000451978464 240391453 /nfs/dbraw/zinc/39/14/53/240391453.db2.gz BDXNBSUFEYEUNJ-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595147 193083143 /nfs/dbraw/zinc/08/31/43/193083143.db2.gz KEXGJPDYYBMXQH-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1F ZINC000275595147 193083146 /nfs/dbraw/zinc/08/31/46/193083146.db2.gz KEXGJPDYYBMXQH-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1F ZINC000275595147 193083147 /nfs/dbraw/zinc/08/31/47/193083147.db2.gz KEXGJPDYYBMXQH-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000275595147 193083149 /nfs/dbraw/zinc/08/31/49/193083149.db2.gz KEXGJPDYYBMXQH-XHDPSFHLSA-N 2 2 284.806 3.251 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000459316535 242068844 /nfs/dbraw/zinc/06/88/44/242068844.db2.gz AIJFQGXHBMCQKN-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000459316535 242068848 /nfs/dbraw/zinc/06/88/48/242068848.db2.gz AIJFQGXHBMCQKN-KRWDZBQOSA-N 2 2 283.419 3.232 20 0 CGADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000459346758 242082713 /nfs/dbraw/zinc/08/27/13/242082713.db2.gz UXLIUIQRCKWLGG-QAPCUYQASA-N 2 2 283.419 3.088 20 0 CGADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000459346758 242082719 /nfs/dbraw/zinc/08/27/19/242082719.db2.gz UXLIUIQRCKWLGG-QAPCUYQASA-N 2 2 283.419 3.088 20 0 CGADLP CC(C)CCC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459357175 242088831 /nfs/dbraw/zinc/08/88/31/242088831.db2.gz DEHAQDXFOSLSCH-UHFFFAOYSA-N 2 2 263.429 3.111 20 0 CGADLP CC(C)C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000459656735 242164720 /nfs/dbraw/zinc/16/47/20/242164720.db2.gz HROOBUMIXQWYQX-QGZVFWFLSA-N 2 2 285.435 3.382 20 0 CGADLP CCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000459749688 242209930 /nfs/dbraw/zinc/20/99/30/242209930.db2.gz IOZQYLIJPMCJBA-HNNXBMFYSA-N 2 2 257.381 3.393 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000480025543 243133739 /nfs/dbraw/zinc/13/37/39/243133739.db2.gz YHUFZRICWTVKSP-GOSISDBHSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000482461499 243228193 /nfs/dbraw/zinc/22/81/93/243228193.db2.gz SOQLMNGOFRSLNG-OAUYIBNBSA-N 2 2 276.399 3.207 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000482461499 243228202 /nfs/dbraw/zinc/22/82/02/243228202.db2.gz SOQLMNGOFRSLNG-OAUYIBNBSA-N 2 2 276.399 3.207 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000483974408 243303836 /nfs/dbraw/zinc/30/38/36/243303836.db2.gz HBIHQCDXCLGMRC-HIFRSBDPSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000483974408 243303842 /nfs/dbraw/zinc/30/38/42/243303842.db2.gz HBIHQCDXCLGMRC-HIFRSBDPSA-N 2 2 269.392 3.411 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000335482728 212157149 /nfs/dbraw/zinc/15/71/49/212157149.db2.gz WJQHACZHZDYKAJ-AWEZNQCLSA-N 2 2 299.393 3.296 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000486979858 243389983 /nfs/dbraw/zinc/38/99/83/243389983.db2.gz KFQFXTBZYRENJH-WMLDXEAASA-N 2 2 283.419 3.456 20 0 CGADLP CC[NH+](CC)CCOc1ccccc1CNc1cccc[nH+]1 ZINC000019778043 368765873 /nfs/dbraw/zinc/76/58/73/368765873.db2.gz YGYDPWGRFCTHPZ-UHFFFAOYSA-N 2 2 299.418 3.414 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157394 369072835 /nfs/dbraw/zinc/07/28/35/369072835.db2.gz YONOTPVYZIWPNP-HUUCEWRRSA-N 2 2 287.407 3.410 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000037158243 369074547 /nfs/dbraw/zinc/07/45/47/369074547.db2.gz HTTNJMMYRRCOSQ-XEBKBJJBSA-N 2 2 289.810 3.461 20 0 CGADLP C[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000037256264 369079912 /nfs/dbraw/zinc/07/99/12/369079912.db2.gz IKZVSIZSEHLBQH-CQSZACIVSA-N 2 2 286.341 3.364 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cs1 ZINC000038041998 369142841 /nfs/dbraw/zinc/14/28/41/369142841.db2.gz ZFNHNHDCCBVQEF-CHWSQXEVSA-N 2 2 281.469 3.224 20 0 CGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684062 369265351 /nfs/dbraw/zinc/26/53/51/369265351.db2.gz RNIFIJNKWWRTOM-MAUKXSAKSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684062 369265356 /nfs/dbraw/zinc/26/53/56/369265356.db2.gz RNIFIJNKWWRTOM-MAUKXSAKSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686007 369267708 /nfs/dbraw/zinc/26/77/08/369267708.db2.gz QMBVTOAIXBXHPJ-HWOWSKLDSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686007 369267716 /nfs/dbraw/zinc/26/77/16/369267716.db2.gz QMBVTOAIXBXHPJ-HWOWSKLDSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044686010 369267774 /nfs/dbraw/zinc/26/77/74/369267774.db2.gz QMBVTOAIXBXHPJ-PCKAHOCUSA-N 2 2 270.420 3.067 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044686010 369267781 /nfs/dbraw/zinc/26/77/81/369267781.db2.gz QMBVTOAIXBXHPJ-PCKAHOCUSA-N 2 2 270.420 3.067 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685507 369267960 /nfs/dbraw/zinc/26/79/60/369267960.db2.gz NIABOPCPBZEBBK-DYVFJYSZSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685507 369267965 /nfs/dbraw/zinc/26/79/65/369267965.db2.gz NIABOPCPBZEBBK-DYVFJYSZSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(OC(F)F)c1 ZINC000045663839 369283832 /nfs/dbraw/zinc/28/38/32/369283832.db2.gz IOUPXDIZGCVAHU-GFCCVEGCSA-N 2 2 286.366 3.280 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]1C ZINC000494920505 244331626 /nfs/dbraw/zinc/33/16/26/244331626.db2.gz DRUGRIWDUQYLPH-BFYDXBDKSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@H]([NH2+]CCc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000063133648 369640905 /nfs/dbraw/zinc/64/09/05/369640905.db2.gz APDIGSCFMKGRFG-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918059 296149438 /nfs/dbraw/zinc/14/94/38/296149438.db2.gz HGRNQGPQAMBRRW-UHIISALHSA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000072744298 369836252 /nfs/dbraw/zinc/83/62/52/369836252.db2.gz DGHKMERSYVTRME-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP C(C1CCCC1)[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075937978 369922510 /nfs/dbraw/zinc/92/25/10/369922510.db2.gz JESOLGNEGFPTBZ-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(C1CCCC1)[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075937978 369922516 /nfs/dbraw/zinc/92/25/16/369922516.db2.gz JESOLGNEGFPTBZ-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000087472347 370027764 /nfs/dbraw/zinc/02/77/64/370027764.db2.gz FQWHCTNGQOVKGS-NSHDSACASA-N 2 2 285.229 3.051 20 0 CGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000087472347 370027769 /nfs/dbraw/zinc/02/77/69/370027769.db2.gz FQWHCTNGQOVKGS-NSHDSACASA-N 2 2 285.229 3.051 20 0 CGADLP Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c(C)[nH+]1 ZINC000094666079 370168445 /nfs/dbraw/zinc/16/84/45/370168445.db2.gz BUTGLAZQRUWMBJ-OAHLLOKOSA-N 2 2 283.375 3.117 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644464 370151700 /nfs/dbraw/zinc/15/17/00/370151700.db2.gz IMBRTRBMSINUEG-DSJMHWKBSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644464 370151702 /nfs/dbraw/zinc/15/17/02/370151702.db2.gz IMBRTRBMSINUEG-DSJMHWKBSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644464 370151709 /nfs/dbraw/zinc/15/17/09/370151709.db2.gz IMBRTRBMSINUEG-DSJMHWKBSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644464 370151712 /nfs/dbraw/zinc/15/17/12/370151712.db2.gz IMBRTRBMSINUEG-DSJMHWKBSA-N 2 2 276.424 3.318 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H](c2ccccc2)C2CC2)CCC1 ZINC000097928202 370257147 /nfs/dbraw/zinc/25/71/47/370257147.db2.gz ZREQAXSFGXDSTG-MRXNPFEDSA-N 2 2 258.409 3.212 20 0 CGADLP CC(C)CC1(C)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343960729 216996159 /nfs/dbraw/zinc/99/61/59/216996159.db2.gz ILOJOOKCZHJFIV-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@H]1SCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000118416659 370615766 /nfs/dbraw/zinc/61/57/66/370615766.db2.gz CHZNRKXLSREGFD-ZIAGYGMSSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@H]1SCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000118416659 370615769 /nfs/dbraw/zinc/61/57/69/370615769.db2.gz CHZNRKXLSREGFD-ZIAGYGMSSA-N 2 2 287.432 3.198 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1C ZINC000130751999 371057476 /nfs/dbraw/zinc/05/74/76/371057476.db2.gz JHYJCCRVHXWMLW-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1C ZINC000130751999 371057482 /nfs/dbraw/zinc/05/74/82/371057482.db2.gz JHYJCCRVHXWMLW-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000131898154 371136873 /nfs/dbraw/zinc/13/68/73/371136873.db2.gz WKVIYEPIRMOQRG-CVEARBPZSA-N 2 2 256.324 3.060 20 0 CGADLP c1cn(CC[NH2+][C@@H](c2ccccc2)C2CCCC2)c[nH+]1 ZINC000131937843 371140432 /nfs/dbraw/zinc/14/04/32/371140432.db2.gz VJVJEJVVUPMWOO-KRWDZBQOSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133523098 371259246 /nfs/dbraw/zinc/25/92/46/371259246.db2.gz ILXXGQMBALJVMA-FRRDWIJNSA-N 2 2 295.496 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000133523098 371259251 /nfs/dbraw/zinc/25/92/51/371259251.db2.gz ILXXGQMBALJVMA-FRRDWIJNSA-N 2 2 295.496 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522745 371513854 /nfs/dbraw/zinc/51/38/54/371513854.db2.gz NHQHAKONYYVRLS-UOULLERFSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522745 371513861 /nfs/dbraw/zinc/51/38/61/371513861.db2.gz NHQHAKONYYVRLS-UOULLERFSA-N 2 2 292.373 3.050 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151149702 371576764 /nfs/dbraw/zinc/57/67/64/371576764.db2.gz UGZKMCNXLNEACS-KRWDZBQOSA-N 2 2 299.418 3.394 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000151688589 371625348 /nfs/dbraw/zinc/62/53/48/371625348.db2.gz ZTVGOHJTPTUYMF-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000421805019 371636856 /nfs/dbraw/zinc/63/68/56/371636856.db2.gz VOCCNQDTDAIOEW-LBPRGKRZSA-N 2 2 295.789 3.287 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000421803867 371636972 /nfs/dbraw/zinc/63/69/72/371636972.db2.gz RZBGABZZHDEKHN-INIZCTEOSA-N 2 2 291.370 3.018 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000421818659 371640059 /nfs/dbraw/zinc/64/00/59/371640059.db2.gz BWRCPHNINAEIHH-ZBEGNZNMSA-N 2 2 298.833 3.340 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421824706 371647076 /nfs/dbraw/zinc/64/70/76/371647076.db2.gz JXTPIOHJRMRKJM-SMDDNHRTSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000421824706 371647080 /nfs/dbraw/zinc/64/70/80/371647080.db2.gz JXTPIOHJRMRKJM-SMDDNHRTSA-N 2 2 296.817 3.236 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152733106 371719386 /nfs/dbraw/zinc/71/93/86/371719386.db2.gz YCDJRPWBHRCEDS-ZDUSSCGKSA-N 2 2 289.448 3.483 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000152823003 371728061 /nfs/dbraw/zinc/72/80/61/371728061.db2.gz QBLFLCNAVNSFBM-CABCVRRESA-N 2 2 278.440 3.119 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345707 214021108 /nfs/dbraw/zinc/02/11/08/214021108.db2.gz VJKPNZNEAKTXCO-WBVHZDCISA-N 2 2 275.440 3.038 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345707 214021112 /nfs/dbraw/zinc/02/11/12/214021112.db2.gz VJKPNZNEAKTXCO-WBVHZDCISA-N 2 2 275.440 3.038 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422698269 371756570 /nfs/dbraw/zinc/75/65/70/371756570.db2.gz YKZLQQNKUYGASN-RHSMWYFYSA-N 2 2 288.435 3.238 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1C(C)C ZINC000422702669 371760373 /nfs/dbraw/zinc/76/03/73/371760373.db2.gz FRVIGPMLVWOGCK-OLZOCXBDSA-N 2 2 281.469 3.325 20 0 CGADLP CC[C@H]([NH2+]Cc1oc2ccccc2c1C)[C@@H]1CCC[NH2+]1 ZINC000422742378 371780619 /nfs/dbraw/zinc/78/06/19/371780619.db2.gz GEPARDUFTAHKHT-GJZGRUSLSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@@H]([NH2+]Cc1csc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422757560 371787417 /nfs/dbraw/zinc/78/74/17/371787417.db2.gz JRBADZMNAUILER-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422812265 371825527 /nfs/dbraw/zinc/82/55/27/371825527.db2.gz WAHIRWDZCOJFSE-SNVBAGLBSA-N 2 2 291.395 3.206 20 0 CGADLP COc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Cl ZINC000422945364 371885070 /nfs/dbraw/zinc/88/50/70/371885070.db2.gz UGYNPZMLEYVWHS-JTQLQIEISA-N 2 2 291.782 3.007 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875562 371850195 /nfs/dbraw/zinc/85/01/95/371850195.db2.gz PEMAHAKYMZPBRE-IAGOWNOFSA-N 2 2 282.387 3.238 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422875802 371850396 /nfs/dbraw/zinc/85/03/96/371850396.db2.gz PIZPTBZUFOXPQV-ZBFHGGJFSA-N 2 2 276.424 3.014 20 0 CGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880649 371851917 /nfs/dbraw/zinc/85/19/17/371851917.db2.gz XJAXWBXQZRCUQA-RLCCDNCMSA-N 2 2 282.378 3.392 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000422890966 371857127 /nfs/dbraw/zinc/85/71/27/371857127.db2.gz JTBRHPAVSXAHII-VXGBXAGGSA-N 2 2 267.442 3.016 20 0 CGADLP CC[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000422915920 371867291 /nfs/dbraw/zinc/86/72/91/371867291.db2.gz ZJJKUDJZNYZGDO-WMZOPIPTSA-N 2 2 283.419 3.245 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916653 371867435 /nfs/dbraw/zinc/86/74/35/371867435.db2.gz BHGPMRMCPQCSAA-DAXOMENPSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000289981598 371869338 /nfs/dbraw/zinc/86/93/38/371869338.db2.gz ZTHWPMVSUDKDNW-LBPRGKRZSA-N 2 2 291.345 3.347 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422854115 371840406 /nfs/dbraw/zinc/84/04/06/371840406.db2.gz AEBWVRAMLGZFNK-HOCLYGCPSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000423052553 371936324 /nfs/dbraw/zinc/93/63/24/371936324.db2.gz QRWMDKFGNPSDMN-BEFAXECRSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951422 371889063 /nfs/dbraw/zinc/88/90/63/371889063.db2.gz YMTOWCOGDMJBKC-GWCFXTLKSA-N 2 2 287.234 3.124 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000422955396 371890694 /nfs/dbraw/zinc/89/06/94/371890694.db2.gz JEIHUFUGAFHOLA-GFCCVEGCSA-N 2 2 287.432 3.213 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000290088667 371899140 /nfs/dbraw/zinc/89/91/40/371899140.db2.gz ZKTMRXMOFZQIPG-IMJJTQAJSA-N 2 2 261.413 3.101 20 0 CGADLP CC[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422982811 371901998 /nfs/dbraw/zinc/90/19/98/371901998.db2.gz RLSMHOPIIUJGNR-GJZGRUSLSA-N 2 2 258.365 3.053 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000422990022 371906354 /nfs/dbraw/zinc/90/63/54/371906354.db2.gz BJAHOVNKUCEZQD-RUGDWHBFSA-N 2 2 288.435 3.152 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423064708 371943321 /nfs/dbraw/zinc/94/33/21/371943321.db2.gz AFIFYWTZJGPDGG-KBPBESRZSA-N 2 2 288.391 3.191 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccsc2)Cc2ccco2)CC1 ZINC000290347193 371967150 /nfs/dbraw/zinc/96/71/50/371967150.db2.gz FWAPVRYJDJHAMV-UHFFFAOYSA-N 2 2 290.432 3.438 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423110008 371971502 /nfs/dbraw/zinc/97/15/02/371971502.db2.gz OKDWQJDEJKYPOU-CZUORRHYSA-N 2 2 271.408 3.097 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000423110007 371972087 /nfs/dbraw/zinc/97/20/87/371972087.db2.gz OKDWQJDEJKYPOU-CJNGLKHVSA-N 2 2 271.408 3.097 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423109711 371972253 /nfs/dbraw/zinc/97/22/53/371972253.db2.gz OAJGPJPLZDWKOZ-ULQDDVLXSA-N 2 2 288.435 3.267 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156385487 371977296 /nfs/dbraw/zinc/97/72/96/371977296.db2.gz HTBOPECNEDLPHQ-HIFRSBDPSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156385487 371977301 /nfs/dbraw/zinc/97/73/01/371977301.db2.gz HTBOPECNEDLPHQ-HIFRSBDPSA-N 2 2 286.350 3.435 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2ccco2)cc1 ZINC000423171334 372002937 /nfs/dbraw/zinc/00/29/37/372002937.db2.gz ZVFNEVZJCNHSKO-AHIWAGSCSA-N 2 2 288.391 3.093 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000155821500 371948439 /nfs/dbraw/zinc/94/84/39/371948439.db2.gz XRZPZCYTIUNAKZ-SFHVURJKSA-N 2 2 272.436 3.082 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000155821500 371948442 /nfs/dbraw/zinc/94/84/42/371948442.db2.gz XRZPZCYTIUNAKZ-SFHVURJKSA-N 2 2 272.436 3.082 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423271951 372046374 /nfs/dbraw/zinc/04/63/74/372046374.db2.gz HSFOUMPYHHFUSJ-ISVAXAHUSA-N 2 2 273.207 3.381 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423366253 372056400 /nfs/dbraw/zinc/05/64/00/372056400.db2.gz QBUQJUYCFZAXAE-MBNYWOFBSA-N 2 2 264.438 3.057 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423388283 372057925 /nfs/dbraw/zinc/05/79/25/372057925.db2.gz KKBHPNUTQYUTHQ-OQPBUACISA-N 2 2 273.207 3.178 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc2c(c1)CCO2 ZINC000290534667 372012089 /nfs/dbraw/zinc/01/20/89/372012089.db2.gz YHANOVWTJPCVPG-UHFFFAOYSA-N 2 2 296.414 3.090 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184358 372013082 /nfs/dbraw/zinc/01/30/82/372013082.db2.gz ILCWFLYGDFADPL-ZYHUDNBSSA-N 2 2 281.469 3.152 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@@]2(F)c2ccccc2)c2ccccc21 ZINC000424377762 372085739 /nfs/dbraw/zinc/08/57/39/372085739.db2.gz RUFDRAYGHNZRSP-VSZNYVQBSA-N 2 2 282.362 3.358 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291320636 372160717 /nfs/dbraw/zinc/16/07/17/372160717.db2.gz YVBAJNRYYGPNFY-UHFFFAOYSA-N 2 2 294.414 3.188 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425365929 372124378 /nfs/dbraw/zinc/12/43/78/372124378.db2.gz ZAEFBYZJLWFYBD-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425365929 372124381 /nfs/dbraw/zinc/12/43/81/372124381.db2.gz ZAEFBYZJLWFYBD-QLFBSQMISA-N 2 2 270.486 3.125 20 0 CGADLP CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccn1 ZINC000159325371 372130719 /nfs/dbraw/zinc/13/07/19/372130719.db2.gz DGWPJQIQENDFTN-HNNXBMFYSA-N 2 2 284.407 3.410 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000425526805 372130807 /nfs/dbraw/zinc/13/08/07/372130807.db2.gz XXEFALCIYYYPHC-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000425526805 372130812 /nfs/dbraw/zinc/13/08/12/372130812.db2.gz XXEFALCIYYYPHC-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526805 372130819 /nfs/dbraw/zinc/13/08/19/372130819.db2.gz XXEFALCIYYYPHC-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526805 372130824 /nfs/dbraw/zinc/13/08/24/372130824.db2.gz XXEFALCIYYYPHC-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000292848680 372225697 /nfs/dbraw/zinc/22/56/97/372225697.db2.gz QGGARWBFJPHDAU-UHFFFAOYSA-N 2 2 289.467 3.476 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[NH+]1CCCCC1 ZINC000344296643 217137004 /nfs/dbraw/zinc/13/70/04/217137004.db2.gz NMYPZMYJYCKDGW-GFCCVEGCSA-N 2 2 270.804 3.287 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CCc2cc[nH+]cc2C)[C@@H](C)[C@@H]1OC ZINC000344302001 217140996 /nfs/dbraw/zinc/14/09/96/217140996.db2.gz VKHBEPXNTALOTR-OIISXLGYSA-N 2 2 290.451 3.362 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000428876363 372276636 /nfs/dbraw/zinc/27/66/36/372276636.db2.gz LDAKCPANCLMIRN-UHFFFAOYSA-N 2 2 289.326 3.143 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@@H+]1C ZINC000344333452 217155888 /nfs/dbraw/zinc/15/58/88/217155888.db2.gz PRMOOJUHUMNMRI-KXBFYZLASA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CCC[N@H+]1C ZINC000344333452 217155890 /nfs/dbraw/zinc/15/58/90/217155890.db2.gz PRMOOJUHUMNMRI-KXBFYZLASA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@@H+]1C ZINC000344355447 217166917 /nfs/dbraw/zinc/16/69/17/217166917.db2.gz LNQHYHNASXVXJU-HNAYVOBHSA-N 2 2 295.430 3.321 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCC[N@H+]1C ZINC000344355447 217166919 /nfs/dbraw/zinc/16/69/19/217166919.db2.gz LNQHYHNASXVXJU-HNAYVOBHSA-N 2 2 295.430 3.321 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000162282117 372383670 /nfs/dbraw/zinc/38/36/70/372383670.db2.gz ZQBAQUKBDZRLAB-SFHVURJKSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cscn1 ZINC000162328866 372387604 /nfs/dbraw/zinc/38/76/04/372387604.db2.gz GTSDJCDDKJFEOL-NSHDSACASA-N 2 2 286.404 3.152 20 0 CGADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000293560516 372411740 /nfs/dbraw/zinc/41/17/40/372411740.db2.gz MCMKNNFVNHYTSK-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761554 372473146 /nfs/dbraw/zinc/47/31/46/372473146.db2.gz JYUSTWWBLSERHI-HUUCEWRRSA-N 2 2 259.397 3.478 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761554 372473147 /nfs/dbraw/zinc/47/31/47/372473147.db2.gz JYUSTWWBLSERHI-HUUCEWRRSA-N 2 2 259.397 3.478 20 0 CGADLP CCc1nocc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000293690616 372450811 /nfs/dbraw/zinc/45/08/11/372450811.db2.gz QQBXRUINMNFWQZ-UHFFFAOYSA-N 2 2 273.380 3.005 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000163404829 372467553 /nfs/dbraw/zinc/46/75/53/372467553.db2.gz QHHDTLAJSIWMPR-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000163404829 372467557 /nfs/dbraw/zinc/46/75/57/372467557.db2.gz QHHDTLAJSIWMPR-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCCOc3ccccc32)[nH+]c1 ZINC000163836895 372494708 /nfs/dbraw/zinc/49/47/08/372494708.db2.gz OFEVDJWVUAHORP-INIZCTEOSA-N 2 2 297.402 3.387 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000293995305 372548904 /nfs/dbraw/zinc/54/89/04/372548904.db2.gz FTPYNLPBIRUOQK-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000166439417 372574232 /nfs/dbraw/zinc/57/42/32/372574232.db2.gz SFIJBCQWKVWEMV-NVXWUHKLSA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)noc1-c1ccccc1 ZINC000166439417 372574242 /nfs/dbraw/zinc/57/42/42/372574242.db2.gz SFIJBCQWKVWEMV-NVXWUHKLSA-N 2 2 297.402 3.058 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000294106296 372583247 /nfs/dbraw/zinc/58/32/47/372583247.db2.gz CLSMKFAHDRLXKQ-UKRRQHHQSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@H+]1Cc1ccccc1 ZINC000294106296 372583254 /nfs/dbraw/zinc/58/32/54/372583254.db2.gz CLSMKFAHDRLXKQ-UKRRQHHQSA-N 2 2 282.378 3.284 20 0 CGADLP c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cc1C1CCC1 ZINC000294157489 372598403 /nfs/dbraw/zinc/59/84/03/372598403.db2.gz VUWJXSBUIQLTSJ-HOTGVXAUSA-N 2 2 271.408 3.388 20 0 CGADLP c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cc1C1CCC1 ZINC000294157489 372598405 /nfs/dbraw/zinc/59/84/05/372598405.db2.gz VUWJXSBUIQLTSJ-HOTGVXAUSA-N 2 2 271.408 3.388 20 0 CGADLP CC[C@H](COC)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167877267 372604812 /nfs/dbraw/zinc/60/48/12/372604812.db2.gz FVSDFDSULVPOJO-GDBMZVCRSA-N 2 2 278.440 3.130 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241225 372712968 /nfs/dbraw/zinc/71/29/68/372712968.db2.gz DZAONRDABDASAJ-OCCSQVGLSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241225 372712976 /nfs/dbraw/zinc/71/29/76/372712976.db2.gz DZAONRDABDASAJ-OCCSQVGLSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241225 372712979 /nfs/dbraw/zinc/71/29/79/372712979.db2.gz DZAONRDABDASAJ-OCCSQVGLSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000295241225 372712988 /nfs/dbraw/zinc/71/29/88/372712988.db2.gz DZAONRDABDASAJ-OCCSQVGLSA-N 2 2 296.842 3.208 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000295352051 372747462 /nfs/dbraw/zinc/74/74/62/372747462.db2.gz IRYPDOKHZPHWGW-WVZRYYJFSA-N 2 2 285.391 3.089 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000438087552 372873201 /nfs/dbraw/zinc/87/32/01/372873201.db2.gz YBRRRRJEXCGDQH-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CCCCOc1ccccc1 ZINC000438087552 372873208 /nfs/dbraw/zinc/87/32/08/372873208.db2.gz YBRRRRJEXCGDQH-QGZVFWFLSA-N 2 2 290.451 3.310 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091427 372875180 /nfs/dbraw/zinc/87/51/80/372875180.db2.gz FXOAODJRZKIYBA-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091427 372875194 /nfs/dbraw/zinc/87/51/94/372875194.db2.gz FXOAODJRZKIYBA-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091427 372875202 /nfs/dbraw/zinc/87/52/02/372875202.db2.gz FXOAODJRZKIYBA-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000438091427 372875213 /nfs/dbraw/zinc/87/52/13/372875213.db2.gz FXOAODJRZKIYBA-ZDUSSCGKSA-N 2 2 289.398 3.081 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccc(F)cc1 ZINC000438094664 372876241 /nfs/dbraw/zinc/87/62/41/372876241.db2.gz KRBYVSRVNXERKO-OLMNPRSZSA-N 2 2 290.426 3.488 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)c1ccc(F)cc1 ZINC000438094664 372876246 /nfs/dbraw/zinc/87/62/46/372876246.db2.gz KRBYVSRVNXERKO-OLMNPRSZSA-N 2 2 290.426 3.488 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)c1ccc(F)cc1 ZINC000438094664 372876249 /nfs/dbraw/zinc/87/62/49/372876249.db2.gz KRBYVSRVNXERKO-OLMNPRSZSA-N 2 2 290.426 3.488 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)c1ccc(F)cc1 ZINC000438094664 372876251 /nfs/dbraw/zinc/87/62/51/372876251.db2.gz KRBYVSRVNXERKO-OLMNPRSZSA-N 2 2 290.426 3.488 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000172648508 373001447 /nfs/dbraw/zinc/00/14/47/373001447.db2.gz BQINGNRNVDCORI-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000172648508 373001451 /nfs/dbraw/zinc/00/14/51/373001451.db2.gz BQINGNRNVDCORI-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP CCC[N@H+](CC)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353523709 220137491 /nfs/dbraw/zinc/13/74/91/220137491.db2.gz YIZRQNCLBJKLDU-INIZCTEOSA-N 2 2 292.471 3.353 20 0 CGADLP CCC[N@@H+](CC)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353523709 220137492 /nfs/dbraw/zinc/13/74/92/220137492.db2.gz YIZRQNCLBJKLDU-INIZCTEOSA-N 2 2 292.471 3.353 20 0 CGADLP FC(F)C1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000442708459 373067231 /nfs/dbraw/zinc/06/72/31/373067231.db2.gz JFZUUULINRAFRK-UHFFFAOYSA-N 2 2 297.393 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000172845545 373047054 /nfs/dbraw/zinc/04/70/54/373047054.db2.gz YPXYYDMZWFCQMW-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000172845545 373047056 /nfs/dbraw/zinc/04/70/56/373047056.db2.gz YPXYYDMZWFCQMW-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845545 373047058 /nfs/dbraw/zinc/04/70/58/373047058.db2.gz YPXYYDMZWFCQMW-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000172845545 373047060 /nfs/dbraw/zinc/04/70/60/373047060.db2.gz YPXYYDMZWFCQMW-MNOVXSKESA-N 2 2 272.845 3.316 20 0 CGADLP CCc1ccc2[nH+]ccc(N(C)Cc3[nH+]ccn3C)c2c1 ZINC000296187953 373047475 /nfs/dbraw/zinc/04/74/75/373047475.db2.gz BHRDBJBDSSHSQR-UHFFFAOYSA-N 2 2 280.375 3.167 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000442856031 373105958 /nfs/dbraw/zinc/10/59/58/373105958.db2.gz CXFFVKBTWKMXIC-VNHYZAJKSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000442856031 373105962 /nfs/dbraw/zinc/10/59/62/373105962.db2.gz CXFFVKBTWKMXIC-VNHYZAJKSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000344846620 217330820 /nfs/dbraw/zinc/33/08/20/217330820.db2.gz FAUAYODGMOLJDF-IAGOWNOFSA-N 2 2 285.391 3.198 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@@H+]1C ZINC000173527360 373153055 /nfs/dbraw/zinc/15/30/55/373153055.db2.gz YNLNIWRXOOTVKD-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccccc3)n2)CC[N@H+]1C ZINC000173527360 373153066 /nfs/dbraw/zinc/15/30/66/373153066.db2.gz YNLNIWRXOOTVKD-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527360 373153076 /nfs/dbraw/zinc/15/30/76/373153076.db2.gz YNLNIWRXOOTVKD-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC[NH+]1C ZINC000173527360 373153088 /nfs/dbraw/zinc/15/30/88/373153088.db2.gz YNLNIWRXOOTVKD-YOEHRIQHSA-N 2 2 299.418 3.256 20 0 CGADLP COc1cccc2c(NCC[N@H+](C)C3CC3)c(C)c[nH+]c12 ZINC000344883506 217344255 /nfs/dbraw/zinc/34/42/55/217344255.db2.gz DBOXQNRIAVKFJK-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP COc1cccc2c(NCC[N@@H+](C)C3CC3)c(C)c[nH+]c12 ZINC000344883506 217344258 /nfs/dbraw/zinc/34/42/58/217344258.db2.gz DBOXQNRIAVKFJK-UHFFFAOYSA-N 2 2 285.391 3.058 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1Cl ZINC000446810171 373365518 /nfs/dbraw/zinc/36/55/18/373365518.db2.gz MYJUINXAHKRWAX-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Cl ZINC000446810171 373365527 /nfs/dbraw/zinc/36/55/27/373365527.db2.gz MYJUINXAHKRWAX-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1Cl ZINC000446810171 373365532 /nfs/dbraw/zinc/36/55/32/373365532.db2.gz MYJUINXAHKRWAX-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1Cl ZINC000446810171 373365542 /nfs/dbraw/zinc/36/55/42/373365542.db2.gz MYJUINXAHKRWAX-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000344987176 217377301 /nfs/dbraw/zinc/37/73/01/217377301.db2.gz UQLFSRNBQDORNF-NVXWUHKLSA-N 2 2 285.391 3.198 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447811769 373496648 /nfs/dbraw/zinc/49/66/48/373496648.db2.gz HQGVYAKVOIJZOT-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447811769 373496652 /nfs/dbraw/zinc/49/66/52/373496652.db2.gz HQGVYAKVOIJZOT-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000175751551 373513575 /nfs/dbraw/zinc/51/35/75/373513575.db2.gz WLLZXCZREGSANO-SECBINFHSA-N 2 2 285.269 3.159 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353632042 220205132 /nfs/dbraw/zinc/20/51/32/220205132.db2.gz RHITYLQHZRWFDJ-QWHCGFSZSA-N 2 2 285.391 3.017 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353632042 220205136 /nfs/dbraw/zinc/20/51/36/220205136.db2.gz RHITYLQHZRWFDJ-QWHCGFSZSA-N 2 2 285.391 3.017 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000448033767 373541263 /nfs/dbraw/zinc/54/12/63/373541263.db2.gz ZDAXGFFIDBRRPB-YMAMQOFZSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C1CC([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000448033767 373541265 /nfs/dbraw/zinc/54/12/65/373541265.db2.gz ZDAXGFFIDBRRPB-YMAMQOFZSA-N 2 2 252.446 3.131 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353647954 220219437 /nfs/dbraw/zinc/21/94/37/220219437.db2.gz NGQBQIGBWSPPKB-KRWDZBQOSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353647954 220219441 /nfs/dbraw/zinc/21/94/41/220219441.db2.gz NGQBQIGBWSPPKB-KRWDZBQOSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353647954 220219442 /nfs/dbraw/zinc/21/94/42/220219442.db2.gz NGQBQIGBWSPPKB-KRWDZBQOSA-N 2 2 290.451 3.392 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000353647954 220219447 /nfs/dbraw/zinc/21/94/47/220219447.db2.gz NGQBQIGBWSPPKB-KRWDZBQOSA-N 2 2 290.451 3.392 20 0 CGADLP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301074789 373650992 /nfs/dbraw/zinc/65/09/92/373650992.db2.gz GUFHDCMZEUOMOH-AWEZNQCLSA-N 2 2 278.444 3.297 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000177193018 373662426 /nfs/dbraw/zinc/66/24/26/373662426.db2.gz QQNHTZSRIXDFQC-KSSFIOAISA-N 2 2 290.451 3.466 20 0 CGADLP CCC1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCC1 ZINC000449421816 373692868 /nfs/dbraw/zinc/69/28/68/373692868.db2.gz BSZNZVSWQQZYDY-UHFFFAOYSA-N 2 2 257.381 3.455 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@@H](C(C)C)C2)c[nH+]1 ZINC000353657660 220228354 /nfs/dbraw/zinc/22/83/54/220228354.db2.gz ORNPHWUWTBIJNT-MRXNPFEDSA-N 2 2 278.465 3.396 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@@H](C(C)C)C2)c[nH+]1 ZINC000353657660 220228361 /nfs/dbraw/zinc/22/83/61/220228361.db2.gz ORNPHWUWTBIJNT-MRXNPFEDSA-N 2 2 278.465 3.396 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000177906345 373725373 /nfs/dbraw/zinc/72/53/73/373725373.db2.gz VORFRQJNGXZEKL-ZIAGYGMSSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000177906345 373725377 /nfs/dbraw/zinc/72/53/77/373725377.db2.gz VORFRQJNGXZEKL-ZIAGYGMSSA-N 2 2 255.365 3.103 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000178310952 373765298 /nfs/dbraw/zinc/76/52/98/373765298.db2.gz KEHWODRCTARVCR-QGZVFWFLSA-N 2 2 288.435 3.203 20 0 CGADLP CC(C)c1cc(N2CC[NH+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000301860299 373811084 /nfs/dbraw/zinc/81/10/84/373811084.db2.gz DLWKXHRQPJFWEG-UHFFFAOYSA-N 2 2 290.455 3.254 20 0 CGADLP COC[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000449776283 373903783 /nfs/dbraw/zinc/90/37/83/373903783.db2.gz OJMQETBYWPHVIW-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000449776283 373903793 /nfs/dbraw/zinc/90/37/93/373903793.db2.gz OJMQETBYWPHVIW-INIZCTEOSA-N 2 2 276.424 3.071 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179957457 373946582 /nfs/dbraw/zinc/94/65/82/373946582.db2.gz ACFHHBAPQBKDSV-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000179957457 373946590 /nfs/dbraw/zinc/94/65/90/373946590.db2.gz ACFHHBAPQBKDSV-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449784595 373915156 /nfs/dbraw/zinc/91/51/56/373915156.db2.gz XJXRARBTHFDTSV-QGZVFWFLSA-N 2 2 287.451 3.397 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449784595 373915159 /nfs/dbraw/zinc/91/51/59/373915159.db2.gz XJXRARBTHFDTSV-QGZVFWFLSA-N 2 2 287.451 3.397 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000179804759 373920487 /nfs/dbraw/zinc/92/04/87/373920487.db2.gz ZDXITQXUYZENOH-CZUORRHYSA-N 2 2 282.378 3.490 20 0 CGADLP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000179804759 373920494 /nfs/dbraw/zinc/92/04/94/373920494.db2.gz ZDXITQXUYZENOH-CZUORRHYSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353668421 220239976 /nfs/dbraw/zinc/23/99/76/220239976.db2.gz FVDLXUNSOIWBKF-INIZCTEOSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000353668421 220239980 /nfs/dbraw/zinc/23/99/80/220239980.db2.gz FVDLXUNSOIWBKF-INIZCTEOSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000353668421 220239981 /nfs/dbraw/zinc/23/99/81/220239981.db2.gz FVDLXUNSOIWBKF-INIZCTEOSA-N 2 2 278.415 3.440 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000353668421 220239983 /nfs/dbraw/zinc/23/99/83/220239983.db2.gz FVDLXUNSOIWBKF-INIZCTEOSA-N 2 2 278.415 3.440 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305124732 374072178 /nfs/dbraw/zinc/07/21/78/374072178.db2.gz HZIIACKAFHSBGJ-HDMKZQKVSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000353680322 220253779 /nfs/dbraw/zinc/25/37/79/220253779.db2.gz SUFJONCXRWZROY-ILXRZTDVSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000353680322 220253781 /nfs/dbraw/zinc/25/37/81/220253781.db2.gz SUFJONCXRWZROY-ILXRZTDVSA-N 2 2 291.439 3.287 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1cc(C)ccc1OC ZINC000181189056 374090935 /nfs/dbraw/zinc/09/09/35/374090935.db2.gz HPRIRKDQTBCMBJ-INIZCTEOSA-N 2 2 276.424 3.140 20 0 CGADLP CCCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181207459 374092513 /nfs/dbraw/zinc/09/25/13/374092513.db2.gz XPTRBBWQHOKAER-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP CCCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181207459 374092525 /nfs/dbraw/zinc/09/25/25/374092525.db2.gz XPTRBBWQHOKAER-UHFFFAOYSA-N 2 2 271.408 3.358 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309742077 374194360 /nfs/dbraw/zinc/19/43/60/374194360.db2.gz SFHAXJOBARJAPT-GJZGRUSLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000309742077 374194369 /nfs/dbraw/zinc/19/43/69/374194369.db2.gz SFHAXJOBARJAPT-GJZGRUSLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000309736061 374195467 /nfs/dbraw/zinc/19/54/67/374195467.db2.gz QQJKQBKKYLAMLP-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000309736061 374195472 /nfs/dbraw/zinc/19/54/72/374195472.db2.gz QQJKQBKKYLAMLP-DJIMGWMZSA-N 2 2 272.436 3.428 20 0 CGADLP Clc1sccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000312619243 374286435 /nfs/dbraw/zinc/28/64/35/374286435.db2.gz UDECSWYEKBDCPF-RYUDHWBXSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1sccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312619243 374286442 /nfs/dbraw/zinc/28/64/42/374286442.db2.gz UDECSWYEKBDCPF-RYUDHWBXSA-N 2 2 270.829 3.118 20 0 CGADLP CC(C)Oc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000317087929 374338607 /nfs/dbraw/zinc/33/86/07/374338607.db2.gz LEAWSNJCOAPNBB-IRXDYDNUSA-N 2 2 297.402 3.103 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328525408 374366218 /nfs/dbraw/zinc/36/62/18/374366218.db2.gz TXPOYMLIIUOPTK-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000328525408 374366221 /nfs/dbraw/zinc/36/62/21/374366221.db2.gz TXPOYMLIIUOPTK-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccncc1 ZINC000453203011 374369104 /nfs/dbraw/zinc/36/91/04/374369104.db2.gz DSHFGAKRHYWBOA-DLBZAZTESA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccncc1 ZINC000453203011 374369115 /nfs/dbraw/zinc/36/91/15/374369115.db2.gz DSHFGAKRHYWBOA-DLBZAZTESA-N 2 2 273.424 3.139 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000319803039 374347559 /nfs/dbraw/zinc/34/75/59/374347559.db2.gz IJVRWYKTDRZXJW-ZIAGYGMSSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319803039 374347561 /nfs/dbraw/zinc/34/75/61/374347561.db2.gz IJVRWYKTDRZXJW-ZIAGYGMSSA-N 2 2 297.402 3.282 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccsc1 ZINC000453277851 374386591 /nfs/dbraw/zinc/38/65/91/374386591.db2.gz YMONASPFUWFJNW-CVEARBPZSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccsc1 ZINC000453277851 374386600 /nfs/dbraw/zinc/38/66/00/374386600.db2.gz YMONASPFUWFJNW-CVEARBPZSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000453366849 374453813 /nfs/dbraw/zinc/45/38/13/374453813.db2.gz SZYPSOLBVSBMGB-XJKSGUPXSA-N 2 2 288.410 3.116 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000453366849 374453818 /nfs/dbraw/zinc/45/38/18/374453818.db2.gz SZYPSOLBVSBMGB-XJKSGUPXSA-N 2 2 288.410 3.116 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000091308074 541966270 /nfs/dbraw/zinc/96/62/70/541966270.db2.gz FEMLULJRBZNVJH-WBVHZDCISA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000091308074 541966273 /nfs/dbraw/zinc/96/62/73/541966273.db2.gz FEMLULJRBZNVJH-WBVHZDCISA-N 2 2 258.409 3.130 20 0 CGADLP Cc1[nH+]cc(CNc2[nH+]cccc2C)n1-c1ccccc1 ZINC000184828990 374562099 /nfs/dbraw/zinc/56/20/99/374562099.db2.gz BKOVRRAHVNGLOI-UHFFFAOYSA-N 2 2 278.359 3.496 20 0 CGADLP CCCc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000185696025 374717339 /nfs/dbraw/zinc/71/73/39/374717339.db2.gz QWYBVDPGOZDJIJ-UHFFFAOYSA-N 2 2 275.371 3.107 20 0 CGADLP CCCc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000185696025 374717343 /nfs/dbraw/zinc/71/73/43/374717343.db2.gz QWYBVDPGOZDJIJ-UHFFFAOYSA-N 2 2 275.371 3.107 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000094357564 541985447 /nfs/dbraw/zinc/98/54/47/541985447.db2.gz FKQMCKBFXFCIBO-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000094357564 541985451 /nfs/dbraw/zinc/98/54/51/541985451.db2.gz FKQMCKBFXFCIBO-MRXNPFEDSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H]1c1ccccc1 ZINC000464073669 374861116 /nfs/dbraw/zinc/86/11/16/374861116.db2.gz LIWQHUKIKQGUTE-GCDKYVQMSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H]1c1ccccc1 ZINC000464073669 374861121 /nfs/dbraw/zinc/86/11/21/374861121.db2.gz LIWQHUKIKQGUTE-GCDKYVQMSA-N 2 2 272.436 3.251 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000468726411 374983431 /nfs/dbraw/zinc/98/34/31/374983431.db2.gz UYJVYZAXGIONKC-UONOGXRCSA-N 2 2 299.418 3.446 20 0 CGADLP COc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c[nH+]c12 ZINC000468726411 374983434 /nfs/dbraw/zinc/98/34/34/374983434.db2.gz UYJVYZAXGIONKC-UONOGXRCSA-N 2 2 299.418 3.446 20 0 CGADLP Fc1cc(F)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000334721676 375003240 /nfs/dbraw/zinc/00/32/40/375003240.db2.gz GNHQIVLSJYQPAE-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000187672709 375067897 /nfs/dbraw/zinc/06/78/97/375067897.db2.gz DXIYRCZFMYTNBX-CYBMUJFWSA-N 2 2 283.485 3.485 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000187672709 375067906 /nfs/dbraw/zinc/06/79/06/375067906.db2.gz DXIYRCZFMYTNBX-CYBMUJFWSA-N 2 2 283.485 3.485 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000480262628 375157846 /nfs/dbraw/zinc/15/78/46/375157846.db2.gz XVHRMNXAWKPHDX-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000480262628 375157851 /nfs/dbraw/zinc/15/78/51/375157851.db2.gz XVHRMNXAWKPHDX-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP CC[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482709486 375172238 /nfs/dbraw/zinc/17/22/38/375172238.db2.gz CQKXJDIJFINGKK-HNNXBMFYSA-N 2 2 282.472 3.188 20 0 CGADLP CC[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482709486 375172245 /nfs/dbraw/zinc/17/22/45/375172245.db2.gz CQKXJDIJFINGKK-HNNXBMFYSA-N 2 2 282.472 3.188 20 0 CGADLP C[N@H+](Cc1ccco1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487518530 375244645 /nfs/dbraw/zinc/24/46/45/375244645.db2.gz QBFLARASFHBNFT-UHFFFAOYSA-N 2 2 290.329 3.128 20 0 CGADLP C[N@@H+](Cc1ccco1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487518530 375244652 /nfs/dbraw/zinc/24/46/52/375244652.db2.gz QBFLARASFHBNFT-UHFFFAOYSA-N 2 2 290.329 3.128 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000484302671 375186923 /nfs/dbraw/zinc/18/69/23/375186923.db2.gz QNVUMFQYOZFFDY-AYDFFVQHSA-N 2 2 252.446 3.416 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000484302671 375186929 /nfs/dbraw/zinc/18/69/29/375186929.db2.gz QNVUMFQYOZFFDY-AYDFFVQHSA-N 2 2 252.446 3.416 20 0 CGADLP Cc1cscc1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000487155252 375202655 /nfs/dbraw/zinc/20/26/55/375202655.db2.gz MBWGFTZCYRYZIH-UHFFFAOYSA-N 2 2 271.389 3.302 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000190805466 375541292 /nfs/dbraw/zinc/54/12/92/375541292.db2.gz SUYAVODQKSCKFC-UHFFFAOYSA-N 2 2 297.324 3.390 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000335998069 375604900 /nfs/dbraw/zinc/60/49/00/375604900.db2.gz LKXHBPFUDZRUKB-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000335998069 375604902 /nfs/dbraw/zinc/60/49/02/375604902.db2.gz LKXHBPFUDZRUKB-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121423814 542019532 /nfs/dbraw/zinc/01/95/32/542019532.db2.gz JCPYKKGZRKQBPS-INMHGKMJSA-N 2 2 299.418 3.074 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000191574796 375640090 /nfs/dbraw/zinc/64/00/90/375640090.db2.gz BINJMGXPQNBXDE-UHFFFAOYSA-N 2 2 269.458 3.008 20 0 CGADLP CCOCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192014867 375690486 /nfs/dbraw/zinc/69/04/86/375690486.db2.gz MJXSXVQPHJUMPY-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP CCOCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192014867 375690490 /nfs/dbraw/zinc/69/04/90/375690490.db2.gz MJXSXVQPHJUMPY-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP c1nc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)co1 ZINC000192300801 375728418 /nfs/dbraw/zinc/72/84/18/375728418.db2.gz DCZUNJPGTOYEAB-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000192742654 375784686 /nfs/dbraw/zinc/78/46/86/375784686.db2.gz TWWCOGXREHBNKL-VBQJREDUSA-N 2 2 260.425 3.456 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC13CCCCC3)C2 ZINC000336228310 375761355 /nfs/dbraw/zinc/76/13/55/375761355.db2.gz ZEOVANPMNOPELY-CZUORRHYSA-N 2 2 273.424 3.360 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CCCCC3)CC2 ZINC000336228310 375761359 /nfs/dbraw/zinc/76/13/59/375761359.db2.gz ZEOVANPMNOPELY-CZUORRHYSA-N 2 2 273.424 3.360 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508829917 375761629 /nfs/dbraw/zinc/76/16/29/375761629.db2.gz TVSXDUBBDDBBMM-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508829917 375761636 /nfs/dbraw/zinc/76/16/36/375761636.db2.gz TVSXDUBBDDBBMM-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000508829917 375761641 /nfs/dbraw/zinc/76/16/41/375761641.db2.gz TVSXDUBBDDBBMM-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000508829917 375761647 /nfs/dbraw/zinc/76/16/47/375761647.db2.gz TVSXDUBBDDBBMM-CYBMUJFWSA-N 2 2 296.842 3.209 20 0 CGADLP c1cn(-c2ncccc2C[NH2+][C@H]2CCCc3occc32)c[nH+]1 ZINC000192654612 375776217 /nfs/dbraw/zinc/77/62/17/375776217.db2.gz IHDQJOKPOLXRAC-HNNXBMFYSA-N 2 2 294.358 3.028 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CCC1 ZINC000193210410 375840367 /nfs/dbraw/zinc/84/03/67/375840367.db2.gz DVPXWUOQFVHTOM-UHFFFAOYSA-N 2 2 284.407 3.278 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CCC1 ZINC000193210410 375840370 /nfs/dbraw/zinc/84/03/70/375840370.db2.gz DVPXWUOQFVHTOM-UHFFFAOYSA-N 2 2 284.407 3.278 20 0 CGADLP CO[C@]1(C)C[C@H]([N@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541254 375842783 /nfs/dbraw/zinc/84/27/83/375842783.db2.gz NONGOJZFGBOQQA-DOTOQJQBSA-N 2 2 276.424 3.068 20 0 CGADLP CO[C@]1(C)C[C@H]([N@@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541254 375842790 /nfs/dbraw/zinc/84/27/90/375842790.db2.gz NONGOJZFGBOQQA-DOTOQJQBSA-N 2 2 276.424 3.068 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541256 375843389 /nfs/dbraw/zinc/84/33/89/375843389.db2.gz NONGOJZFGBOQQA-NVXWUHKLSA-N 2 2 276.424 3.068 20 0 CGADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541256 375843392 /nfs/dbraw/zinc/84/33/92/375843392.db2.gz NONGOJZFGBOQQA-NVXWUHKLSA-N 2 2 276.424 3.068 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000520498192 375859648 /nfs/dbraw/zinc/85/96/48/375859648.db2.gz LXTABFDROCTMGP-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000520498192 375859653 /nfs/dbraw/zinc/85/96/53/375859653.db2.gz LXTABFDROCTMGP-CVEARBPZSA-N 2 2 260.425 3.112 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494458 375886683 /nfs/dbraw/zinc/88/66/83/375886683.db2.gz RSSSSUAUFQNZEX-APWZRJJASA-N 2 2 295.430 3.102 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494458 375886696 /nfs/dbraw/zinc/88/66/96/375886696.db2.gz RSSSSUAUFQNZEX-APWZRJJASA-N 2 2 295.430 3.102 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000336704791 375911991 /nfs/dbraw/zinc/91/19/91/375911991.db2.gz HJVYAEZWOUVXHH-BMFZPTHFSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000336704791 375911993 /nfs/dbraw/zinc/91/19/93/375911993.db2.gz HJVYAEZWOUVXHH-BMFZPTHFSA-N 2 2 258.409 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000336812752 375966588 /nfs/dbraw/zinc/96/65/88/375966588.db2.gz SHJNRUQFJCNZLE-PBHICJAKSA-N 2 2 258.409 3.310 20 0 CGADLP CCc1nc(C[N@H+](C)CCCCn2cc[nH+]c2C)cs1 ZINC000534315143 375970067 /nfs/dbraw/zinc/97/00/67/375970067.db2.gz BMHBCNYVGUPCJQ-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCc1nc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cs1 ZINC000534315143 375970074 /nfs/dbraw/zinc/97/00/74/375970074.db2.gz BMHBCNYVGUPCJQ-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534348571 375979790 /nfs/dbraw/zinc/97/97/90/375979790.db2.gz FLJIVWUSDJVXPZ-GXTWGEPZSA-N 2 2 273.355 3.110 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534348571 375979795 /nfs/dbraw/zinc/97/97/95/375979795.db2.gz FLJIVWUSDJVXPZ-GXTWGEPZSA-N 2 2 273.355 3.110 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000195120436 376080359 /nfs/dbraw/zinc/08/03/59/376080359.db2.gz IXTOUPWZAALVKC-RYQLBKOJSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072474 376156841 /nfs/dbraw/zinc/15/68/41/376156841.db2.gz LBMSQNVLPUHMNN-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000216072474 376156847 /nfs/dbraw/zinc/15/68/47/376156847.db2.gz LBMSQNVLPUHMNN-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000132154210 542075503 /nfs/dbraw/zinc/07/55/03/542075503.db2.gz SODXUOGXISCIKS-CTASWTNQSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000132154210 542075508 /nfs/dbraw/zinc/07/55/08/542075508.db2.gz SODXUOGXISCIKS-CTASWTNQSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000221296064 376214140 /nfs/dbraw/zinc/21/41/40/376214140.db2.gz LIZFANJUUFBLHV-MRXNPFEDSA-N 2 2 282.431 3.358 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000337399615 376219233 /nfs/dbraw/zinc/21/92/33/376219233.db2.gz OZIVULRJCFELCU-DLBZAZTESA-N 2 2 272.436 3.082 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000226315188 376350327 /nfs/dbraw/zinc/35/03/27/376350327.db2.gz BWLGFJNPJYOCOF-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000226315188 376350333 /nfs/dbraw/zinc/35/03/33/376350333.db2.gz BWLGFJNPJYOCOF-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000226315192 376350399 /nfs/dbraw/zinc/35/03/99/376350399.db2.gz BWLGFJNPJYOCOF-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000226315192 376350403 /nfs/dbraw/zinc/35/04/03/376350403.db2.gz BWLGFJNPJYOCOF-GJZGRUSLSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000226372775 376355343 /nfs/dbraw/zinc/35/53/43/376355343.db2.gz VAEFNQNTQLEUPY-ZIAGYGMSSA-N 2 2 287.432 3.276 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000540316426 376370116 /nfs/dbraw/zinc/37/01/16/376370116.db2.gz VALMOVAKWHDLHU-OCBCSQNSSA-N 2 2 288.410 3.349 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000540316426 376370119 /nfs/dbraw/zinc/37/01/19/376370119.db2.gz VALMOVAKWHDLHU-OCBCSQNSSA-N 2 2 288.410 3.349 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCO[C@H]3C)ccc2n1C1CC1 ZINC000338449241 376379140 /nfs/dbraw/zinc/37/91/40/376379140.db2.gz WRTJVVNIZMJNKU-SWLSCSKDSA-N 2 2 299.418 3.201 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230407967 376513053 /nfs/dbraw/zinc/51/30/53/376513053.db2.gz HNAXEJQOHOLPKF-UWVGGRQHSA-N 2 2 269.801 3.337 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000134289651 542082340 /nfs/dbraw/zinc/08/23/40/542082340.db2.gz JEBHNXKFWIXMBP-ZDUSSCGKSA-N 2 2 296.201 3.467 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000233892652 376604709 /nfs/dbraw/zinc/60/47/09/376604709.db2.gz IWYDLYVRIVEOMX-ZIAGYGMSSA-N 2 2 252.789 3.133 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000334324415 206369907 /nfs/dbraw/zinc/36/99/07/206369907.db2.gz KIIUWQJRDICGMB-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024555 376634602 /nfs/dbraw/zinc/63/46/02/376634602.db2.gz YHELDQDFFDVDLY-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024555 376634609 /nfs/dbraw/zinc/63/46/09/376634609.db2.gz YHELDQDFFDVDLY-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024555 376634614 /nfs/dbraw/zinc/63/46/14/376634614.db2.gz YHELDQDFFDVDLY-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024555 376634620 /nfs/dbraw/zinc/63/46/20/376634620.db2.gz YHELDQDFFDVDLY-SWLSCSKDSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000544381503 376727791 /nfs/dbraw/zinc/72/77/91/376727791.db2.gz WTPUVDJFBBJDHN-OLMNGRFOSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000544381503 376727795 /nfs/dbraw/zinc/72/77/95/376727795.db2.gz WTPUVDJFBBJDHN-OLMNGRFOSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236709991 376685244 /nfs/dbraw/zinc/68/52/44/376685244.db2.gz JXXWEQNMFZBPGM-DNVCBOLYSA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236709991 376685245 /nfs/dbraw/zinc/68/52/45/376685245.db2.gz JXXWEQNMFZBPGM-DNVCBOLYSA-N 2 2 286.463 3.457 20 0 CGADLP CCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237142260 376732361 /nfs/dbraw/zinc/73/23/61/376732361.db2.gz BAQQFNHSNLMMFO-UHFFFAOYSA-N 2 2 295.430 3.403 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135960430 542088705 /nfs/dbraw/zinc/08/87/05/542088705.db2.gz GGHJPCGQNYAXIS-GWCFXTLKSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135960430 542088707 /nfs/dbraw/zinc/08/87/07/542088707.db2.gz GGHJPCGQNYAXIS-GWCFXTLKSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1ccc(CCC[N@H+](CCC[NH3+])Cc2ccccc2)c[nH+]1 ZINC000339407299 376750652 /nfs/dbraw/zinc/75/06/52/376750652.db2.gz JENPSHUZLNOOJO-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCC[NH3+])Cc2ccccc2)c[nH+]1 ZINC000339407299 376750655 /nfs/dbraw/zinc/75/06/55/376750655.db2.gz JENPSHUZLNOOJO-UHFFFAOYSA-N 3 2 297.446 3.174 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151845449 542104524 /nfs/dbraw/zinc/10/45/24/542104524.db2.gz WNCCRDPHQOAQPB-KBPBESRZSA-N 2 2 266.454 3.143 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)Cc3ccsc3)[nH+]c12 ZINC000156287574 542127712 /nfs/dbraw/zinc/12/77/12/542127712.db2.gz WCBCXTBTYBGUDR-AWEZNQCLSA-N 2 2 299.443 3.468 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155857141 542126038 /nfs/dbraw/zinc/12/60/38/542126038.db2.gz YFZZDQNJFWRCAW-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000155857141 542126042 /nfs/dbraw/zinc/12/60/42/542126042.db2.gz YFZZDQNJFWRCAW-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646907 542135433 /nfs/dbraw/zinc/13/54/33/542135433.db2.gz APJQXZDQRSKDMF-FUHWJXTLSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(OC)c1 ZINC000157646907 542135437 /nfs/dbraw/zinc/13/54/37/542135437.db2.gz APJQXZDQRSKDMF-FUHWJXTLSA-N 2 2 288.435 3.220 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157668900 542137157 /nfs/dbraw/zinc/13/71/57/542137157.db2.gz NXNLAMPRAGCVNL-ZBFHGGJFSA-N 2 2 250.430 3.195 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157668900 542137162 /nfs/dbraw/zinc/13/71/62/542137162.db2.gz NXNLAMPRAGCVNL-ZBFHGGJFSA-N 2 2 250.430 3.195 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156290631 542127933 /nfs/dbraw/zinc/12/79/33/542127933.db2.gz MPMJBYNPIUTQFI-OCCSQVGLSA-N 2 2 259.397 3.209 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556871675 376894505 /nfs/dbraw/zinc/89/45/05/376894505.db2.gz LLUCUFZODXRMCS-SWLSCSKDSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000556871675 376894513 /nfs/dbraw/zinc/89/45/13/376894513.db2.gz LLUCUFZODXRMCS-SWLSCSKDSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccncc1F ZINC000340184127 376939629 /nfs/dbraw/zinc/93/96/29/376939629.db2.gz POMQLOFZJNAVRO-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccncc1F ZINC000340184127 376939640 /nfs/dbraw/zinc/93/96/40/376939640.db2.gz POMQLOFZJNAVRO-ZIAGYGMSSA-N 2 2 279.403 3.136 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1 ZINC000557796508 376956539 /nfs/dbraw/zinc/95/65/39/376956539.db2.gz PZPIYCUISCJTRQ-BBRMVZONSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1 ZINC000557796508 376956548 /nfs/dbraw/zinc/95/65/48/376956548.db2.gz PZPIYCUISCJTRQ-BBRMVZONSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cc2c1 ZINC000557796509 376956637 /nfs/dbraw/zinc/95/66/37/376956637.db2.gz PZPIYCUISCJTRQ-CJNGLKHVSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000557796509 376956647 /nfs/dbraw/zinc/95/66/47/376956647.db2.gz PZPIYCUISCJTRQ-CJNGLKHVSA-N 2 2 272.392 3.171 20 0 CGADLP C[C@H]1CC[N@H+](CCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246337601 377013967 /nfs/dbraw/zinc/01/39/67/377013967.db2.gz UDUGARFXEDBYAO-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246337601 377013976 /nfs/dbraw/zinc/01/39/76/377013976.db2.gz UDUGARFXEDBYAO-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000558698962 377035803 /nfs/dbraw/zinc/03/58/03/377035803.db2.gz OEGHFIBFVOFJKX-LSDHHAIUSA-N 2 2 267.392 3.171 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000340401098 377037053 /nfs/dbraw/zinc/03/70/53/377037053.db2.gz RKHSYTWKIMUXSY-BETUJISGSA-N 2 2 284.831 3.391 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000340401098 377037061 /nfs/dbraw/zinc/03/70/61/377037061.db2.gz RKHSYTWKIMUXSY-BETUJISGSA-N 2 2 284.831 3.391 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+]1CCOCC1 ZINC000559766452 377096445 /nfs/dbraw/zinc/09/64/45/377096445.db2.gz HVYMTMQDMKTJGV-DLBZAZTESA-N 2 2 294.483 3.047 20 0 CGADLP COc1cccc(C[C@H]([NH2+]CC[NH+](C)C)c2ccccc2)c1 ZINC000561199364 377212487 /nfs/dbraw/zinc/21/24/87/377212487.db2.gz MYVQPOUETOOWNL-IBGZPJMESA-N 2 2 298.430 3.130 20 0 CGADLP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340691620 377220986 /nfs/dbraw/zinc/22/09/86/377220986.db2.gz GLHWIOZQFALFGM-OAHLLOKOSA-N 2 2 255.365 3.247 20 0 CGADLP CC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340691620 377220987 /nfs/dbraw/zinc/22/09/87/377220987.db2.gz GLHWIOZQFALFGM-OAHLLOKOSA-N 2 2 255.365 3.247 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)[C@H](C)C1 ZINC000561358120 377222468 /nfs/dbraw/zinc/22/24/68/377222468.db2.gz VKAWERNQVLIFDF-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)[C@H](C)C1 ZINC000561358120 377222478 /nfs/dbraw/zinc/22/24/78/377222478.db2.gz VKAWERNQVLIFDF-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000248201068 377279940 /nfs/dbraw/zinc/27/99/40/377279940.db2.gz YSAUQEZFBPPTSV-VYDXJSESSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000248201070 377280431 /nfs/dbraw/zinc/28/04/31/377280431.db2.gz YSAUQEZFBPPTSV-ZOBUZTSGSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000562303408 377292285 /nfs/dbraw/zinc/29/22/85/377292285.db2.gz HNFBAQSUBQGHBL-OQSMONGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000562303408 377292293 /nfs/dbraw/zinc/29/22/93/377292293.db2.gz HNFBAQSUBQGHBL-OQSMONGASA-N 2 2 294.483 3.331 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000341101216 377397690 /nfs/dbraw/zinc/39/76/90/377397690.db2.gz DRGKUUQZRREEJS-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000162272019 542163203 /nfs/dbraw/zinc/16/32/03/542163203.db2.gz RYJULTQCUXQPQU-CQSZACIVSA-N 2 2 275.440 3.070 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248861173 377414604 /nfs/dbraw/zinc/41/46/04/377414604.db2.gz AJZBKXJEDDTTGS-NVXWUHKLSA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248861173 377414611 /nfs/dbraw/zinc/41/46/11/377414611.db2.gz AJZBKXJEDDTTGS-NVXWUHKLSA-N 2 2 258.409 3.378 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCSCC1 ZINC000563444514 377468120 /nfs/dbraw/zinc/46/81/20/377468120.db2.gz NSELTQYFTDWYHG-CABCVRRESA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)c1cc(N2CCC[C@H]2C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000341277999 377483661 /nfs/dbraw/zinc/48/36/61/377483661.db2.gz WHOKIGXHWJJMDE-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1c(F)cccc1F ZINC000341282252 377488362 /nfs/dbraw/zinc/48/83/62/377488362.db2.gz ICFLJVANNJFHLG-STQMWFEESA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1c(F)cccc1F ZINC000341282252 377488371 /nfs/dbraw/zinc/48/83/71/377488371.db2.gz ICFLJVANNJFHLG-STQMWFEESA-N 2 2 282.378 3.490 20 0 CGADLP CC(C)c1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289238 377490960 /nfs/dbraw/zinc/49/09/60/377490960.db2.gz RXAKCUUPSMTYKM-ZIAGYGMSSA-N 2 2 290.455 3.040 20 0 CGADLP CC(C)c1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289238 377490967 /nfs/dbraw/zinc/49/09/67/377490967.db2.gz RXAKCUUPSMTYKM-ZIAGYGMSSA-N 2 2 290.455 3.040 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2F)CC1 ZINC000092165323 249032382 /nfs/dbraw/zinc/03/23/82/249032382.db2.gz XXSVRVVOMYFUFG-UHFFFAOYSA-N 2 2 278.415 3.440 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2F)CC1 ZINC000092165323 249032383 /nfs/dbraw/zinc/03/23/83/249032383.db2.gz XXSVRVVOMYFUFG-UHFFFAOYSA-N 2 2 278.415 3.440 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000166711772 542176103 /nfs/dbraw/zinc/17/61/03/542176103.db2.gz DTGTYAXJSBQYJF-HUUCEWRRSA-N 2 2 291.439 3.295 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000166711772 542176105 /nfs/dbraw/zinc/17/61/05/542176105.db2.gz DTGTYAXJSBQYJF-HUUCEWRRSA-N 2 2 291.439 3.295 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313296382 249090730 /nfs/dbraw/zinc/09/07/30/249090730.db2.gz LALRHICCDHHIMR-KRWDZBQOSA-N 2 2 271.408 3.266 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249770004 377530787 /nfs/dbraw/zinc/53/07/87/377530787.db2.gz BNZOVGGTIUHGFV-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249770004 377530793 /nfs/dbraw/zinc/53/07/93/377530793.db2.gz BNZOVGGTIUHGFV-KBPBESRZSA-N 2 2 282.790 3.196 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249778910 377532248 /nfs/dbraw/zinc/53/22/48/377532248.db2.gz CQFPAMWUQRIGEF-ZVZYQTTQSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)C2CC2)cc1 ZINC000313272205 249090201 /nfs/dbraw/zinc/09/02/01/249090201.db2.gz PXICEHWRSVTCEC-QGZVFWFLSA-N 2 2 269.392 3.012 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341404438 377553457 /nfs/dbraw/zinc/55/34/57/377553457.db2.gz NKHYWWDNXVTRLP-OKZBNKHCSA-N 2 2 288.435 3.117 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000469869606 249161479 /nfs/dbraw/zinc/16/14/79/249161479.db2.gz GRPAZMOTDVDFEX-AWEZNQCLSA-N 2 2 292.473 3.494 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000469869606 249161481 /nfs/dbraw/zinc/16/14/81/249161481.db2.gz GRPAZMOTDVDFEX-AWEZNQCLSA-N 2 2 292.473 3.494 20 0 CGADLP CCc1cccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000478252074 249169036 /nfs/dbraw/zinc/16/90/36/249169036.db2.gz IAUARYZKTLOQHQ-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Fc1cc(-c2ccncc2)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000515311459 249208035 /nfs/dbraw/zinc/20/80/35/249208035.db2.gz KZESHILEQXEBHI-UHFFFAOYSA-N 2 2 299.393 3.073 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000178614990 542198719 /nfs/dbraw/zinc/19/87/19/542198719.db2.gz XGUBCVZBBANWLQ-AWEZNQCLSA-N 2 2 261.344 3.426 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178651079 542198478 /nfs/dbraw/zinc/19/84/78/542198478.db2.gz RLCCBQUTTIEMGM-SMDDNHRTSA-N 2 2 280.412 3.046 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178651079 542198482 /nfs/dbraw/zinc/19/84/82/542198482.db2.gz RLCCBQUTTIEMGM-SMDDNHRTSA-N 2 2 280.412 3.046 20 0 CGADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000342090082 377630736 /nfs/dbraw/zinc/63/07/36/377630736.db2.gz DEPJGVCOSMZCSQ-LBPRGKRZSA-N 2 2 289.810 3.419 20 0 CGADLP Clc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674917 377649001 /nfs/dbraw/zinc/64/90/01/377649001.db2.gz VPVQCVJJWMEQKL-KGLIPLIRSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674917 377649009 /nfs/dbraw/zinc/64/90/09/377649009.db2.gz VPVQCVJJWMEQKL-KGLIPLIRSA-N 2 2 264.800 3.056 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000252894313 377669628 /nfs/dbraw/zinc/66/96/28/377669628.db2.gz UPPQHMWWXMQKCQ-QMTHXVAHSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000252894313 377669631 /nfs/dbraw/zinc/66/96/31/377669631.db2.gz UPPQHMWWXMQKCQ-QMTHXVAHSA-N 2 2 287.234 3.423 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000342661916 377718393 /nfs/dbraw/zinc/71/83/93/377718393.db2.gz HMDAYNCOLNGFQT-QGTPRVQTSA-N 2 2 299.418 3.064 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975225 377731912 /nfs/dbraw/zinc/73/19/12/377731912.db2.gz WYRJFEBXGOLBDP-APIJFGDWSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975225 377731921 /nfs/dbraw/zinc/73/19/21/377731921.db2.gz WYRJFEBXGOLBDP-APIJFGDWSA-N 2 2 278.465 3.172 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](CCC2CCCC2)CC1 ZINC000342768588 377780334 /nfs/dbraw/zinc/78/03/34/377780334.db2.gz JNSPKKQRCFBXHS-UHFFFAOYSA-N 2 2 273.424 3.092 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000255493258 377761372 /nfs/dbraw/zinc/76/13/72/377761372.db2.gz QULCEFZBYWAZNL-ARJAWSKDSA-N 2 2 276.399 3.301 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261646228 377831428 /nfs/dbraw/zinc/83/14/28/377831428.db2.gz ARDIXIUKUYKYER-QMMMGPOBSA-N 2 2 280.721 3.138 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261646228 377831439 /nfs/dbraw/zinc/83/14/39/377831439.db2.gz ARDIXIUKUYKYER-QMMMGPOBSA-N 2 2 280.721 3.138 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000261919362 377867194 /nfs/dbraw/zinc/86/71/94/377867194.db2.gz HMNUNBJNDUVZSK-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000261919362 377867201 /nfs/dbraw/zinc/86/72/01/377867201.db2.gz HMNUNBJNDUVZSK-OAHLLOKOSA-N 2 2 299.418 3.081 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981674 377875310 /nfs/dbraw/zinc/87/53/10/377875310.db2.gz OFPQOWWTVYKGEG-OTWHNJEPSA-N 2 2 296.389 3.240 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981674 377875314 /nfs/dbraw/zinc/87/53/14/377875314.db2.gz OFPQOWWTVYKGEG-OTWHNJEPSA-N 2 2 296.389 3.240 20 0 CGADLP C[N@H+](Cc1nc2ccc(F)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261995514 377875429 /nfs/dbraw/zinc/87/54/29/377875429.db2.gz SUGCMEXFUOUVCB-LBPRGKRZSA-N 2 2 293.411 3.009 20 0 CGADLP C[N@@H+](Cc1nc2ccc(F)cc2s1)[C@H]1CCC[NH2+]CC1 ZINC000261995514 377875435 /nfs/dbraw/zinc/87/54/35/377875435.db2.gz SUGCMEXFUOUVCB-LBPRGKRZSA-N 2 2 293.411 3.009 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@H](C)C1 ZINC000342913695 377856473 /nfs/dbraw/zinc/85/64/73/377856473.db2.gz VFGRVMJVRXDGOH-UONOGXRCSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H](C)C1 ZINC000342913695 377856482 /nfs/dbraw/zinc/85/64/82/377856482.db2.gz VFGRVMJVRXDGOH-UONOGXRCSA-N 2 2 257.381 3.202 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262542413 377900706 /nfs/dbraw/zinc/90/07/06/377900706.db2.gz RGUSOMVCTJWTPO-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262542413 377900707 /nfs/dbraw/zinc/90/07/07/377900707.db2.gz RGUSOMVCTJWTPO-YJBOKZPZSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2C(F)(F)F)n1C ZINC000575763334 377989174 /nfs/dbraw/zinc/98/91/74/377989174.db2.gz QZAOCKSTTOUSLR-UHFFFAOYSA-N 2 2 297.324 3.080 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)CCC[NH+]2CCCC2)s1 ZINC000343604953 378036762 /nfs/dbraw/zinc/03/67/62/378036762.db2.gz ONRIOKDGGIBRBH-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)CCC[NH+]2CCCC2)s1 ZINC000343604953 378036769 /nfs/dbraw/zinc/03/67/69/378036769.db2.gz ONRIOKDGGIBRBH-UHFFFAOYSA-N 2 2 281.469 3.184 20 0 CGADLP Clc1c[nH+]ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000267395912 378038049 /nfs/dbraw/zinc/03/80/49/378038049.db2.gz OIDIDHSMXJGFBO-CYBMUJFWSA-N 2 2 279.815 3.190 20 0 CGADLP C[C@@H](O)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232067 378048866 /nfs/dbraw/zinc/04/88/66/378048866.db2.gz GWBWTSPIXNMRTM-OWCLPIDISA-N 2 2 290.451 3.009 20 0 CGADLP CCCc1csc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000494373718 535450329 /nfs/dbraw/zinc/45/03/29/535450329.db2.gz ZITRHJCESQPBLC-CQSZACIVSA-N 2 2 295.496 3.450 20 0 CGADLP CCCc1csc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)n1 ZINC000494373718 535450331 /nfs/dbraw/zinc/45/03/31/535450331.db2.gz ZITRHJCESQPBLC-CQSZACIVSA-N 2 2 295.496 3.450 20 0 CGADLP Cc1cc[nH+]c(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000268329989 378052912 /nfs/dbraw/zinc/05/29/12/378052912.db2.gz PRSMOEBACWZEAF-UHFFFAOYSA-N 2 2 282.391 3.387 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000268804187 378115514 /nfs/dbraw/zinc/11/55/14/378115514.db2.gz INASZWFROVJBHT-UWVGGRQHSA-N 2 2 283.297 3.040 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268736494 378098925 /nfs/dbraw/zinc/09/89/25/378098925.db2.gz BZLRCTYLTVROQX-GJZGRUSLSA-N 2 2 271.408 3.456 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000579687049 378182774 /nfs/dbraw/zinc/18/27/74/378182774.db2.gz BHRNFVFAIALIQT-KRWDZBQOSA-N 2 2 283.419 3.103 20 0 CGADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000582367885 378308252 /nfs/dbraw/zinc/30/82/52/378308252.db2.gz JTMCKGSLBONDTJ-HOCLYGCPSA-N 2 2 263.429 3.253 20 0 CGADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000582367885 378308258 /nfs/dbraw/zinc/30/82/58/378308258.db2.gz JTMCKGSLBONDTJ-HOCLYGCPSA-N 2 2 263.429 3.253 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591842 378333582 /nfs/dbraw/zinc/33/35/82/378333582.db2.gz ILJMLLWRCVFPHZ-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591842 378333590 /nfs/dbraw/zinc/33/35/90/378333590.db2.gz ILJMLLWRCVFPHZ-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591842 378333594 /nfs/dbraw/zinc/33/35/94/378333594.db2.gz ILJMLLWRCVFPHZ-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)ccc2F)C1 ZINC000583591842 378333600 /nfs/dbraw/zinc/33/36/00/378333600.db2.gz ILJMLLWRCVFPHZ-LRDDRELGSA-N 2 2 296.817 3.395 20 0 CGADLP Clc1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)cc1 ZINC000584040669 378369143 /nfs/dbraw/zinc/36/91/43/378369143.db2.gz PEUZVNWXYNFYOZ-CQSZACIVSA-N 2 2 290.794 3.442 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000346090326 378461063 /nfs/dbraw/zinc/46/10/63/378461063.db2.gz DSNSYSHMLFKCLR-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000346090326 378461068 /nfs/dbraw/zinc/46/10/68/378461068.db2.gz DSNSYSHMLFKCLR-CABCVRRESA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)s1 ZINC000346270325 378527436 /nfs/dbraw/zinc/52/74/36/378527436.db2.gz CZYPCWJZUVGXAL-CQSZACIVSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)s1 ZINC000346270325 378527441 /nfs/dbraw/zinc/52/74/41/378527441.db2.gz CZYPCWJZUVGXAL-CQSZACIVSA-N 2 2 275.421 3.399 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000346647792 378661590 /nfs/dbraw/zinc/66/15/90/378661590.db2.gz BHESCVZSUUOWCB-CQSZACIVSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000346647792 378661594 /nfs/dbraw/zinc/66/15/94/378661594.db2.gz BHESCVZSUUOWCB-CQSZACIVSA-N 2 2 281.469 3.216 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928936 378732813 /nfs/dbraw/zinc/73/28/13/378732813.db2.gz RMIVIXPVKMYTLA-QFBILLFUSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928936 378732817 /nfs/dbraw/zinc/73/28/17/378732817.db2.gz RMIVIXPVKMYTLA-QFBILLFUSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000347928936 378732822 /nfs/dbraw/zinc/73/28/22/378732822.db2.gz RMIVIXPVKMYTLA-QFBILLFUSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000347928936 378732827 /nfs/dbraw/zinc/73/28/27/378732827.db2.gz RMIVIXPVKMYTLA-QFBILLFUSA-N 2 2 299.462 3.093 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@@H+]1C1CC1 ZINC000346791194 218014591 /nfs/dbraw/zinc/01/45/91/218014591.db2.gz HTCZEJMZLSVGBA-DOMZBBRYSA-N 2 2 274.383 3.030 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000346791194 218014592 /nfs/dbraw/zinc/01/45/92/218014592.db2.gz HTCZEJMZLSVGBA-DOMZBBRYSA-N 2 2 274.383 3.030 20 0 CGADLP C[N@H+](CCC[NH2+]Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000638302472 378761907 /nfs/dbraw/zinc/76/19/07/378761907.db2.gz VOJJPANEJXNVPY-UHFFFAOYSA-N 2 2 291.439 3.296 20 0 CGADLP C[N@@H+](CCC[NH2+]Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000638302472 378761911 /nfs/dbraw/zinc/76/19/11/378761911.db2.gz VOJJPANEJXNVPY-UHFFFAOYSA-N 2 2 291.439 3.296 20 0 CGADLP CCC[C@H](C[NH2+]CCCn1c(C)[nH+]c2ccccc21)OC ZINC000638299605 378762272 /nfs/dbraw/zinc/76/22/72/378762272.db2.gz ZQLOZUWXJGSULH-OAHLLOKOSA-N 2 2 289.423 3.140 20 0 CGADLP CO[C@@]1(C)C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1(C)C ZINC000348049717 378765719 /nfs/dbraw/zinc/76/57/19/378765719.db2.gz XWLFPUMGZRASLX-WBVHZDCISA-N 2 2 276.424 3.116 20 0 CGADLP CC[NH2+][C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000638309992 378765717 /nfs/dbraw/zinc/76/57/17/378765717.db2.gz FUQNIEGWWNXSFG-CYBMUJFWSA-N 2 2 299.374 3.119 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000348049133 378766908 /nfs/dbraw/zinc/76/69/08/378766908.db2.gz UXWXJNGCUSCZSH-IAGOWNOFSA-N 3 2 289.467 3.175 20 0 CGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCCc1c[nH+]ccc1C ZINC000348085945 378785114 /nfs/dbraw/zinc/78/51/14/378785114.db2.gz MZASDEKYLKWCBC-LJQANCHMSA-N 2 2 298.430 3.170 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000348099641 378792316 /nfs/dbraw/zinc/79/23/16/378792316.db2.gz CFYARGHTOZBFIG-IRXDYDNUSA-N 2 2 283.419 3.252 20 0 CGADLP CCOC1CC(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000638447120 378805568 /nfs/dbraw/zinc/80/55/68/378805568.db2.gz DDFDFOYIPQLHOL-VMWRSERWSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638448599 378806914 /nfs/dbraw/zinc/80/69/14/378806914.db2.gz VEUHUDMJTKBUIT-QEJZJMRPSA-N 2 2 282.378 3.231 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000278519121 194023146 /nfs/dbraw/zinc/02/31/46/194023146.db2.gz CHDJQKYRBZPQIO-HNNXBMFYSA-N 2 2 297.402 3.389 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC(C)(C)O[C@H]2CCC[C@H]21 ZINC000348285539 378886602 /nfs/dbraw/zinc/88/66/02/378886602.db2.gz RCKCQBHISQSMGL-SJORKVTESA-N 2 2 288.435 3.355 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC(C)(C)O[C@H]2CCC[C@H]21 ZINC000348285539 378886606 /nfs/dbraw/zinc/88/66/06/378886606.db2.gz RCKCQBHISQSMGL-SJORKVTESA-N 2 2 288.435 3.355 20 0 CGADLP C[C@H]1CC[N@H+](CCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000274663830 378872467 /nfs/dbraw/zinc/87/24/67/378872467.db2.gz NQKMEDSCPYOEDA-WMLDXEAASA-N 2 2 287.382 3.148 20 0 CGADLP C[C@H]1CC[N@@H+](CCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000274663830 378872474 /nfs/dbraw/zinc/87/24/74/378872474.db2.gz NQKMEDSCPYOEDA-WMLDXEAASA-N 2 2 287.382 3.148 20 0 CGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000348266389 378875549 /nfs/dbraw/zinc/87/55/49/378875549.db2.gz YGSGGJLUCGPYDK-QZTJIDSGSA-N 2 2 272.436 3.256 20 0 CGADLP CC[C@H](C)[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000346950739 218067219 /nfs/dbraw/zinc/06/72/19/218067219.db2.gz UGPBPXRTGPTMOL-DZKIICNBSA-N 2 2 290.455 3.068 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347005173 218089301 /nfs/dbraw/zinc/08/93/01/218089301.db2.gz BJUASBLWGUJEIV-KRWDZBQOSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347005173 218089303 /nfs/dbraw/zinc/08/93/03/218089303.db2.gz BJUASBLWGUJEIV-KRWDZBQOSA-N 2 2 281.403 3.062 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000278537521 194032573 /nfs/dbraw/zinc/03/25/73/194032573.db2.gz SPEONJZFUWNDRM-MRXNPFEDSA-N 2 2 292.492 3.240 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000278537521 194032575 /nfs/dbraw/zinc/03/25/75/194032575.db2.gz SPEONJZFUWNDRM-MRXNPFEDSA-N 2 2 292.492 3.240 20 0 CGADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)C ZINC000346975140 218074045 /nfs/dbraw/zinc/07/40/45/218074045.db2.gz UUKYBMLSDHUHDG-CVEARBPZSA-N 2 2 290.455 3.068 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cn1 ZINC000274857593 378907415 /nfs/dbraw/zinc/90/74/15/378907415.db2.gz CIGFYVJRIFSRAG-LBPRGKRZSA-N 2 2 293.842 3.403 20 0 CGADLP Cc1nsc(C)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000567062394 322148902 /nfs/dbraw/zinc/14/89/02/322148902.db2.gz ICUJQABERCOMPL-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000567062394 322148905 /nfs/dbraw/zinc/14/89/05/322148905.db2.gz ICUJQABERCOMPL-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000567062394 322148908 /nfs/dbraw/zinc/14/89/08/322148908.db2.gz ICUJQABERCOMPL-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nsc(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000567062394 322148911 /nfs/dbraw/zinc/14/89/11/322148911.db2.gz ICUJQABERCOMPL-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370261567 378999864 /nfs/dbraw/zinc/99/98/64/378999864.db2.gz NCGJTNVAPXCSTQ-OCCSQVGLSA-N 2 2 261.413 3.134 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347167441 218144230 /nfs/dbraw/zinc/14/42/30/218144230.db2.gz UQLNYZXCQVBVGJ-KBXCAEBGSA-N 2 2 298.386 3.305 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347167441 218144231 /nfs/dbraw/zinc/14/42/31/218144231.db2.gz UQLNYZXCQVBVGJ-KBXCAEBGSA-N 2 2 298.386 3.305 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000639090906 379013823 /nfs/dbraw/zinc/01/38/23/379013823.db2.gz JAXPEOSCKXXMIL-NUJGCVRESA-N 2 2 290.451 3.145 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)nc1Cl ZINC000278659010 194089249 /nfs/dbraw/zinc/08/92/49/194089249.db2.gz QKHJKDOTQNCCOP-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)nc1Cl ZINC000278659010 194089252 /nfs/dbraw/zinc/08/92/52/194089252.db2.gz QKHJKDOTQNCCOP-UHFFFAOYSA-N 2 2 299.205 3.107 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)CC1 ZINC000278646836 194083757 /nfs/dbraw/zinc/08/37/57/194083757.db2.gz LXDPVMABTCMRJQ-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)CC1 ZINC000278646836 194083759 /nfs/dbraw/zinc/08/37/59/194083759.db2.gz LXDPVMABTCMRJQ-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277083185 379062596 /nfs/dbraw/zinc/06/25/96/379062596.db2.gz FLJSVNNDSHAHJI-ZIAGYGMSSA-N 2 2 287.407 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277083185 379062604 /nfs/dbraw/zinc/06/26/04/379062604.db2.gz FLJSVNNDSHAHJI-ZIAGYGMSSA-N 2 2 287.407 3.305 20 0 CGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCCC1 ZINC000348835765 379072405 /nfs/dbraw/zinc/07/24/05/379072405.db2.gz UMHUKZBFUSXFQJ-ZDUSSCGKSA-N 2 2 270.380 3.317 20 0 CGADLP CC[C@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851234 379085537 /nfs/dbraw/zinc/08/55/37/379085537.db2.gz YLHWYEQYTRIFSM-STQMWFEESA-N 2 2 258.369 3.173 20 0 CGADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000348907565 379110346 /nfs/dbraw/zinc/11/03/46/379110346.db2.gz XILREMNAKXHPRE-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccncc1 ZINC000348907565 379110355 /nfs/dbraw/zinc/11/03/55/379110355.db2.gz XILREMNAKXHPRE-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2cccnc2)[nH+]1 ZINC000348938026 379119049 /nfs/dbraw/zinc/11/90/49/379119049.db2.gz XVKGATCJTLTOBR-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2cccnc2)[nH+]1 ZINC000348938026 379119056 /nfs/dbraw/zinc/11/90/56/379119056.db2.gz XVKGATCJTLTOBR-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP CC[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153114 379173403 /nfs/dbraw/zinc/17/34/03/379173403.db2.gz RJQQUQXRJHTFGP-WBVHZDCISA-N 2 2 283.419 3.403 20 0 CGADLP CC[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349153114 379173411 /nfs/dbraw/zinc/17/34/11/379173411.db2.gz RJQQUQXRJHTFGP-WBVHZDCISA-N 2 2 283.419 3.403 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000349158138 379174557 /nfs/dbraw/zinc/17/45/57/379174557.db2.gz ZMHTVDOAMGDULQ-INIZCTEOSA-N 2 2 299.418 3.069 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000349158138 379174560 /nfs/dbraw/zinc/17/45/60/379174560.db2.gz ZMHTVDOAMGDULQ-INIZCTEOSA-N 2 2 299.418 3.069 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000373107972 379222160 /nfs/dbraw/zinc/22/21/60/379222160.db2.gz YSYBBNCJKQZEJM-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000373107972 379222171 /nfs/dbraw/zinc/22/21/71/379222171.db2.gz YSYBBNCJKQZEJM-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[NH+]4CCC3CC4)ccc2c1 ZINC000349315115 379227379 /nfs/dbraw/zinc/22/73/79/379227379.db2.gz KAOSDZFJDKLAQV-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[NH+]4CCC3CC4)ccc2c1 ZINC000349315115 379227388 /nfs/dbraw/zinc/22/73/88/379227388.db2.gz KAOSDZFJDKLAQV-UHFFFAOYSA-N 2 2 296.414 3.128 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)ccc1F ZINC000349370839 379253834 /nfs/dbraw/zinc/25/38/34/379253834.db2.gz SOAQBEUXZVFFND-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccc1F ZINC000349370839 379253838 /nfs/dbraw/zinc/25/38/38/379253838.db2.gz SOAQBEUXZVFFND-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000278893392 194199413 /nfs/dbraw/zinc/19/94/13/194199413.db2.gz YSFVJSZNXLLMBT-SFHVURJKSA-N 2 2 281.403 3.469 20 0 CGADLP CC[C@H]1CCC[C@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420751 379276425 /nfs/dbraw/zinc/27/64/25/379276425.db2.gz RMTFYOKDQWZDSD-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@H]1CCC[C@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420751 379276435 /nfs/dbraw/zinc/27/64/35/379276435.db2.gz RMTFYOKDQWZDSD-HOTGVXAUSA-N 2 2 263.429 3.421 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnccc2C)CC1 ZINC000639376227 379333403 /nfs/dbraw/zinc/33/34/03/379333403.db2.gz YPUDYRQRMDCGPR-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376415857 379551833 /nfs/dbraw/zinc/55/18/33/379551833.db2.gz QBSNPANZPTWOHI-ADKAHSJRSA-N 2 2 294.483 3.332 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376415857 379551841 /nfs/dbraw/zinc/55/18/41/379551841.db2.gz QBSNPANZPTWOHI-ADKAHSJRSA-N 2 2 294.483 3.332 20 0 CGADLP CC(C)n1nccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000279969109 379566903 /nfs/dbraw/zinc/56/69/03/379566903.db2.gz PRRRMPMQZDQYDM-UHFFFAOYSA-N 2 2 297.406 3.063 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352527235 379844747 /nfs/dbraw/zinc/84/47/47/379844747.db2.gz YAQQJZGAMIZFRV-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352527235 379844749 /nfs/dbraw/zinc/84/47/49/379844749.db2.gz YAQQJZGAMIZFRV-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534459 379846656 /nfs/dbraw/zinc/84/66/56/379846656.db2.gz GTHCFTPHTIYOAU-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534459 379846661 /nfs/dbraw/zinc/84/66/61/379846661.db2.gz GTHCFTPHTIYOAU-HNNXBMFYSA-N 2 2 298.352 3.281 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(F)ccc3C)CC2)c1 ZINC000352696040 379913310 /nfs/dbraw/zinc/91/33/10/379913310.db2.gz ZGQSXYGNJCYSCN-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467750 379919239 /nfs/dbraw/zinc/91/92/39/379919239.db2.gz VGDVMEMZZXENHJ-DNVCBOLYSA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467750 379919246 /nfs/dbraw/zinc/91/92/46/379919246.db2.gz VGDVMEMZZXENHJ-DNVCBOLYSA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716840 379920963 /nfs/dbraw/zinc/92/09/63/379920963.db2.gz HQPZSYMWCYVOIX-ZKXLYKBJSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716840 379920970 /nfs/dbraw/zinc/92/09/70/379920970.db2.gz HQPZSYMWCYVOIX-ZKXLYKBJSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000389840706 379902199 /nfs/dbraw/zinc/90/21/99/379902199.db2.gz NOBZINZAQCXOMP-ZIFCJYIRSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000389840706 379902206 /nfs/dbraw/zinc/90/22/06/379902206.db2.gz NOBZINZAQCXOMP-ZIFCJYIRSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000389849706 379902291 /nfs/dbraw/zinc/90/22/91/379902291.db2.gz UDOKMIUNJQCEJG-OIISXLGYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000389849706 379902295 /nfs/dbraw/zinc/90/22/95/379902295.db2.gz UDOKMIUNJQCEJG-OIISXLGYSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C[N@@H+]1C1CC1 ZINC000389658061 379903019 /nfs/dbraw/zinc/90/30/19/379903019.db2.gz SNOQUVKMRPILHG-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)C[N@H+]1C1CC1 ZINC000389658061 379903025 /nfs/dbraw/zinc/90/30/25/379903025.db2.gz SNOQUVKMRPILHG-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000389798428 379903517 /nfs/dbraw/zinc/90/35/17/379903517.db2.gz AMMKYCSDLSBTOB-FZMWSMFESA-N 2 2 272.436 3.141 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000389798428 379903520 /nfs/dbraw/zinc/90/35/20/379903520.db2.gz AMMKYCSDLSBTOB-FZMWSMFESA-N 2 2 272.436 3.141 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000352832799 379990475 /nfs/dbraw/zinc/99/04/75/379990475.db2.gz PYUBUCPYSPMVFO-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000352832799 379990481 /nfs/dbraw/zinc/99/04/81/379990481.db2.gz PYUBUCPYSPMVFO-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352832799 379990485 /nfs/dbraw/zinc/99/04/85/379990485.db2.gz PYUBUCPYSPMVFO-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000352832799 379990490 /nfs/dbraw/zinc/99/04/90/379990490.db2.gz PYUBUCPYSPMVFO-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c2c1 ZINC000352903567 380028773 /nfs/dbraw/zinc/02/87/73/380028773.db2.gz PCBSUCIRLUQKCJ-AUUYWEPGSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c2c1 ZINC000352903567 380028780 /nfs/dbraw/zinc/02/87/80/380028780.db2.gz PCBSUCIRLUQKCJ-AUUYWEPGSA-N 2 2 297.446 3.091 20 0 CGADLP CSc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000641768916 380087584 /nfs/dbraw/zinc/08/75/84/380087584.db2.gz LPJWNEAPHLPSCS-UHFFFAOYSA-N 2 2 270.442 3.069 20 0 CGADLP CSc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000641768916 380087585 /nfs/dbraw/zinc/08/75/85/380087585.db2.gz LPJWNEAPHLPSCS-UHFFFAOYSA-N 2 2 270.442 3.069 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045219 /nfs/dbraw/zinc/04/52/19/380045219.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045223 /nfs/dbraw/zinc/04/52/23/380045223.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045225 /nfs/dbraw/zinc/04/52/25/380045225.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931826 380045232 /nfs/dbraw/zinc/04/52/32/380045232.db2.gz OEJQDRLMNCUJPL-WBMJQRKESA-N 2 2 288.366 3.098 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268110161 190377570 /nfs/dbraw/zinc/37/75/70/190377570.db2.gz MBFCTTYLLDVQIM-PBHICJAKSA-N 2 2 269.392 3.210 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)CC1(C)C ZINC000641791229 380101459 /nfs/dbraw/zinc/10/14/59/380101459.db2.gz AXKUGKRNRBUULQ-LBPRGKRZSA-N 2 2 289.448 3.259 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nsc3ccccc32)CC1(C)C ZINC000641791229 380101464 /nfs/dbraw/zinc/10/14/64/380101464.db2.gz AXKUGKRNRBUULQ-LBPRGKRZSA-N 2 2 289.448 3.259 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C[C@@H]1[NH3+] ZINC000641801985 380110692 /nfs/dbraw/zinc/11/06/92/380110692.db2.gz XIEJVRFZTYLHOQ-UONOGXRCSA-N 2 2 287.432 3.026 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000641797118 380110973 /nfs/dbraw/zinc/11/09/73/380110973.db2.gz UXDISAMYQXQRKS-CZUORRHYSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000641797118 380110978 /nfs/dbraw/zinc/11/09/78/380110978.db2.gz UXDISAMYQXQRKS-CZUORRHYSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000284125552 380127594 /nfs/dbraw/zinc/12/75/94/380127594.db2.gz NZVVUALBOKBUOQ-LBPRGKRZSA-N 2 2 291.370 3.035 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000353250266 380189110 /nfs/dbraw/zinc/18/91/10/380189110.db2.gz BYRWINRZMCJKDX-YOEHRIQHSA-N 2 2 290.451 3.033 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000353250266 380189123 /nfs/dbraw/zinc/18/91/23/380189123.db2.gz BYRWINRZMCJKDX-YOEHRIQHSA-N 2 2 290.451 3.033 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353267776 380197922 /nfs/dbraw/zinc/19/79/22/380197922.db2.gz DVKZFBUAMIEKBZ-RCCFBDPRSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccsc2)c[nH+]1 ZINC000353945217 380247852 /nfs/dbraw/zinc/24/78/52/380247852.db2.gz OPADAVHJIKUEHR-UHFFFAOYSA-N 2 2 260.406 3.216 20 0 CGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353929528 380240012 /nfs/dbraw/zinc/24/00/12/380240012.db2.gz MZVQGVDTNGRTLL-AEFFLSMTSA-N 2 2 299.418 3.167 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500951 380322042 /nfs/dbraw/zinc/32/20/42/380322042.db2.gz KGOHBGRRBAAGLX-AAEUAGOBSA-N 2 2 282.815 3.141 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000643501292 380322136 /nfs/dbraw/zinc/32/21/36/380322136.db2.gz BRBPJZNXHCGHIB-RDJZCZTQSA-N 2 2 288.435 3.249 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000643501142 380322770 /nfs/dbraw/zinc/32/27/70/380322770.db2.gz XGBALJHYIXHYMI-QWHCGFSZSA-N 2 2 298.377 3.389 20 0 CGADLP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643501746 380324522 /nfs/dbraw/zinc/32/45/22/380324522.db2.gz PCWSDVMNTUWJHH-OCCSQVGLSA-N 2 2 262.397 3.025 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643502201 380324886 /nfs/dbraw/zinc/32/48/86/380324886.db2.gz ZQTOZENABALDTJ-DZGCQCFKSA-N 2 2 264.800 3.059 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]CC[NH2+]C3CC3)oc21 ZINC000643506787 380327766 /nfs/dbraw/zinc/32/77/66/380327766.db2.gz ILYVXXUEFDQFTR-GFCCVEGCSA-N 2 2 288.391 3.234 20 0 CGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000354108290 380328654 /nfs/dbraw/zinc/32/86/54/380328654.db2.gz UPVVDQWAWDOLCX-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000354108290 380328660 /nfs/dbraw/zinc/32/86/60/380328660.db2.gz UPVVDQWAWDOLCX-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000354108290 380328665 /nfs/dbraw/zinc/32/86/65/380328665.db2.gz UPVVDQWAWDOLCX-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000354108290 380328673 /nfs/dbraw/zinc/32/86/73/380328673.db2.gz UPVVDQWAWDOLCX-AWEZNQCLSA-N 2 2 294.389 3.129 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(C)s1 ZINC000643511416 380333784 /nfs/dbraw/zinc/33/37/84/380333784.db2.gz IVYNDOFUCPDOAG-HZMBPMFUSA-N 2 2 281.469 3.318 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000354119033 380333856 /nfs/dbraw/zinc/33/38/56/380333856.db2.gz YRRNMHHSDNQMER-HNNXBMFYSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000354119033 380333863 /nfs/dbraw/zinc/33/38/63/380333863.db2.gz YRRNMHHSDNQMER-HNNXBMFYSA-N 2 2 294.389 3.273 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000643469007 380316035 /nfs/dbraw/zinc/31/60/35/380316035.db2.gz AGAKSUBZFLGBPL-HZPDHXFCSA-N 2 2 288.439 3.144 20 0 CGADLP COc1ccccc1C[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414687786 380374875 /nfs/dbraw/zinc/37/48/75/380374875.db2.gz IBOBDFQXBVZILT-MRXNPFEDSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccccc1C[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414687786 380374886 /nfs/dbraw/zinc/37/48/86/380374886.db2.gz IBOBDFQXBVZILT-MRXNPFEDSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc2cccnc12 ZINC000414768256 380396438 /nfs/dbraw/zinc/39/64/38/380396438.db2.gz LOGWVPMHZPIJKM-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc2cccnc12 ZINC000414768256 380396444 /nfs/dbraw/zinc/39/64/44/380396444.db2.gz LOGWVPMHZPIJKM-CXAGYDPISA-N 2 2 283.419 3.102 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000414699729 380380220 /nfs/dbraw/zinc/38/02/20/380380220.db2.gz FHPKFFOBWKBOHU-UHFFFAOYSA-N 2 2 260.425 3.434 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000414707040 380381271 /nfs/dbraw/zinc/38/12/71/380381271.db2.gz MACCFVAXGBVMSE-ZDUSSCGKSA-N 2 2 282.378 3.307 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414771802 380396766 /nfs/dbraw/zinc/39/67/66/380396766.db2.gz RRGCBHMRXTYHPD-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414771802 380396774 /nfs/dbraw/zinc/39/67/74/380396774.db2.gz RRGCBHMRXTYHPD-CRAIPNDOSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000354295452 380389978 /nfs/dbraw/zinc/38/99/78/380389978.db2.gz HQVBSBFQUIHZEF-CYBMUJFWSA-N 2 2 257.381 3.393 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000643525235 380341084 /nfs/dbraw/zinc/34/10/84/380341084.db2.gz LEMRSKQKDSHJGK-IMSIIYSGSA-N 2 2 270.779 3.270 20 0 CGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)c1 ZINC000643526523 380342863 /nfs/dbraw/zinc/34/28/63/380342863.db2.gz AFDZNHAXLFGIKB-QAPCUYQASA-N 2 2 268.404 3.330 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H](C)[NH3+] ZINC000643526926 380343233 /nfs/dbraw/zinc/34/32/33/380343233.db2.gz BIOOYOJKNJNTHT-BXUZGUMPSA-N 2 2 284.831 3.373 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cs2)cs1 ZINC000643529202 380347143 /nfs/dbraw/zinc/34/71/43/380347143.db2.gz WXZOAELPCYFGKT-DTWKUNHWSA-N 2 2 281.450 3.178 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)cc1 ZINC000643537176 380354205 /nfs/dbraw/zinc/35/42/05/380354205.db2.gz AFDSUPCABJONAI-SOUVJXGZSA-N 2 2 284.806 3.327 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Cl)c1 ZINC000643536814 380354253 /nfs/dbraw/zinc/35/42/53/380354253.db2.gz WAALJGRRUYHGIB-MELADBBJSA-N 2 2 270.779 3.081 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000643538066 380356382 /nfs/dbraw/zinc/35/63/82/380356382.db2.gz XSJVYIISTRFXCX-KKXDTOCCSA-N 2 2 299.393 3.099 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1F ZINC000414817732 380428508 /nfs/dbraw/zinc/42/85/08/380428508.db2.gz SWRCNNCXTVNZKQ-LBPRGKRZSA-N 2 2 258.768 3.086 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414819379 380430172 /nfs/dbraw/zinc/43/01/72/380430172.db2.gz YNXMGPOANLARAJ-VIFPVBQESA-N 2 2 280.359 3.374 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCC[C@H]1C1CC1)c1ccccc1 ZINC000414827097 380435586 /nfs/dbraw/zinc/43/55/86/380435586.db2.gz GNCWATWZCPJAKB-BBWFWOEESA-N 2 2 258.409 3.245 20 0 CGADLP CC(C)c1nc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cs1 ZINC000414833408 380442344 /nfs/dbraw/zinc/44/23/44/380442344.db2.gz FLKURFJGRWGRMR-CQSZACIVSA-N 2 2 281.469 3.264 20 0 CGADLP C[NH2+]CC[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000414836345 380443495 /nfs/dbraw/zinc/44/34/95/380443495.db2.gz WBRJKUXNNLMJSU-UHFFFAOYSA-N 2 2 298.430 3.007 20 0 CGADLP c1cc2c(cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCC[NH2+]2 ZINC000414856827 380458275 /nfs/dbraw/zinc/45/82/75/380458275.db2.gz ZKYXUKBYDXTUIP-CGTJXYLNSA-N 2 2 285.435 3.377 20 0 CGADLP C[C@@H]1CCc2nc(C[NH2+]CC3([NH3+])CCCCC3)sc2C1 ZINC000414847383 380451368 /nfs/dbraw/zinc/45/13/68/380451368.db2.gz UWJHIWWJNUDYIX-GFCCVEGCSA-N 2 2 293.480 3.019 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000354351691 380410228 /nfs/dbraw/zinc/41/02/28/380410228.db2.gz MWJVTGQIJSNLTJ-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000414798698 380413489 /nfs/dbraw/zinc/41/34/89/380413489.db2.gz FMAQNVRCTKXOEP-UHFFFAOYSA-N 2 2 272.367 3.320 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000414928391 380493151 /nfs/dbraw/zinc/49/31/51/380493151.db2.gz BADNOIWNZKUBHK-CABZTGNLSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414937495 380497623 /nfs/dbraw/zinc/49/76/23/380497623.db2.gz DPONKUADRFZYME-NHYWBVRUSA-N 2 2 289.810 3.118 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354633119 380508350 /nfs/dbraw/zinc/50/83/50/380508350.db2.gz NQZOQJRQAGGBFQ-IRXDYDNUSA-N 2 2 283.419 3.227 20 0 CGADLP CCC(CC)(CCO)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354508365 380464202 /nfs/dbraw/zinc/46/42/02/380464202.db2.gz SKFZFUGVXZFWPY-UHFFFAOYSA-N 2 2 278.440 3.101 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2ccccc2)CCC1 ZINC000414885620 380473762 /nfs/dbraw/zinc/47/37/62/380473762.db2.gz OXMKVGDULOLKNN-UHFFFAOYSA-N 2 2 296.414 3.237 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c[nH+]1 ZINC000354670112 380524282 /nfs/dbraw/zinc/52/42/82/380524282.db2.gz UYIDLKSKCATORT-ROUUACIJSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cccc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)[nH+]1 ZINC000354880863 380563286 /nfs/dbraw/zinc/56/32/86/380563286.db2.gz OUMOHBXTHRGLSH-OAGGEKHMSA-N 2 2 273.424 3.232 20 0 CGADLP c1cn([C@@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083350 380575555 /nfs/dbraw/zinc/57/55/55/380575555.db2.gz PRFSRFXHFBNFDJ-JKSUJKDBSA-N 2 2 259.397 3.409 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083350 380575557 /nfs/dbraw/zinc/57/55/57/380575557.db2.gz PRFSRFXHFBNFDJ-JKSUJKDBSA-N 2 2 259.397 3.409 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417308105 380589320 /nfs/dbraw/zinc/58/93/20/380589320.db2.gz FESDNLGSJUEXJH-ZOBORPQBSA-N 2 2 275.421 3.115 20 0 CGADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1[nH+]ccc2cc(F)ccc21 ZINC000645173914 380603648 /nfs/dbraw/zinc/60/36/48/380603648.db2.gz NUVKWCYZNQHZTC-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2cc(F)ccc21 ZINC000645173914 380603653 /nfs/dbraw/zinc/60/36/53/380603653.db2.gz NUVKWCYZNQHZTC-CYBMUJFWSA-N 2 2 287.382 3.152 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000417358154 380607096 /nfs/dbraw/zinc/60/70/96/380607096.db2.gz SOGJQPVESJFSIO-DLBZAZTESA-N 2 2 272.436 3.082 20 0 CGADLP CCC(CC)[C@@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000645388630 380666270 /nfs/dbraw/zinc/66/62/70/380666270.db2.gz ZFCPXIXNOPNTQP-GDBMZVCRSA-N 2 2 284.488 3.290 20 0 CGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[NH+](C)C ZINC000645406582 380673746 /nfs/dbraw/zinc/67/37/46/380673746.db2.gz ALKHEKUOTKMJEL-BLLLJJGKSA-N 2 2 280.843 3.201 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+]CC[N@H+]1CC=CCC1 ZINC000355478552 380681515 /nfs/dbraw/zinc/68/15/15/380681515.db2.gz XMXUBVUVRLDKKK-UHFFFAOYSA-N 2 2 296.817 3.263 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355478552 380681522 /nfs/dbraw/zinc/68/15/22/380681522.db2.gz XMXUBVUVRLDKKK-UHFFFAOYSA-N 2 2 296.817 3.263 20 0 CGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccco1 ZINC000355731339 380763083 /nfs/dbraw/zinc/76/30/83/380763083.db2.gz MAUJSUGEFPKITG-HNNXBMFYSA-N 2 2 299.374 3.103 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000355760691 380770057 /nfs/dbraw/zinc/77/00/57/380770057.db2.gz XTDAIMZMEVUDAI-KFWWJZLASA-N 2 2 282.472 3.185 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000355760691 380770059 /nfs/dbraw/zinc/77/00/59/380770059.db2.gz XTDAIMZMEVUDAI-KFWWJZLASA-N 2 2 282.472 3.185 20 0 CGADLP CN(CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000645833488 380745489 /nfs/dbraw/zinc/74/54/89/380745489.db2.gz ARRSHWOLODUFDP-UHFFFAOYSA-N 2 2 298.434 3.116 20 0 CGADLP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421382756 380926676 /nfs/dbraw/zinc/92/66/76/380926676.db2.gz CEBONJAWAVLCKC-LBPRGKRZSA-N 2 2 297.324 3.499 20 0 CGADLP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421382756 380926687 /nfs/dbraw/zinc/92/66/87/380926687.db2.gz CEBONJAWAVLCKC-LBPRGKRZSA-N 2 2 297.324 3.499 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C2CC2)c1 ZINC000421360438 380897413 /nfs/dbraw/zinc/89/74/13/380897413.db2.gz ZRUJEXJOCZFBRP-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C2CC2)c1 ZINC000421360438 380897418 /nfs/dbraw/zinc/89/74/18/380897418.db2.gz ZRUJEXJOCZFBRP-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ncccc2CC)CC1 ZINC000356872801 380913825 /nfs/dbraw/zinc/91/38/25/380913825.db2.gz PBXADUFKLKBWMI-AWEZNQCLSA-N 2 2 275.440 3.169 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000356886694 380920576 /nfs/dbraw/zinc/92/05/76/380920576.db2.gz YEPSKHMPVBJNNO-ZBFHGGJFSA-N 2 2 298.434 3.377 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000357413685 381149418 /nfs/dbraw/zinc/14/94/18/381149418.db2.gz CMSFOMXSQNZWGY-CRAIPNDOSA-N 2 2 290.451 3.468 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801754 207103195 /nfs/dbraw/zinc/10/31/95/207103195.db2.gz PBYOTOQWRIQUAA-NHYWBVRUSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000334801754 207103199 /nfs/dbraw/zinc/10/31/99/207103199.db2.gz PBYOTOQWRIQUAA-NHYWBVRUSA-N 2 2 290.436 3.040 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000358587471 381317098 /nfs/dbraw/zinc/31/70/98/381317098.db2.gz KJSZNYLULPWMEB-YQQAZPJKSA-N 2 2 296.499 3.290 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)[C@@H]2C ZINC000359633188 381356405 /nfs/dbraw/zinc/35/64/05/381356405.db2.gz JFLZZRUXEIMTJY-ZIAGYGMSSA-N 2 2 299.418 3.208 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCn1cc[nH+]c1C)[C@@H]2C ZINC000359633188 381356409 /nfs/dbraw/zinc/35/64/09/381356409.db2.gz JFLZZRUXEIMTJY-ZIAGYGMSSA-N 2 2 299.418 3.208 20 0 CGADLP C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000359876449 381379399 /nfs/dbraw/zinc/37/93/99/381379399.db2.gz LNRDBHZBKVTIDI-HNNXBMFYSA-N 2 2 289.810 3.057 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000359876449 381379403 /nfs/dbraw/zinc/37/94/03/381379403.db2.gz LNRDBHZBKVTIDI-HNNXBMFYSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000211724766 542285017 /nfs/dbraw/zinc/28/50/17/542285017.db2.gz WACHEPLWQAISLM-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000211724766 542285018 /nfs/dbraw/zinc/28/50/18/542285018.db2.gz WACHEPLWQAISLM-CKEIUWERSA-N 2 2 258.409 3.309 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](COCC(C)C)c2ccco2)CC1 ZINC000360165470 381464667 /nfs/dbraw/zinc/46/46/67/381464667.db2.gz YHAXPJYDBZVBQV-MRXNPFEDSA-N 2 2 294.439 3.067 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522234 382034517 /nfs/dbraw/zinc/03/45/17/382034517.db2.gz BCTNYNFJIWOQSX-ZUZCIYMTSA-N 2 2 282.790 3.051 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522234 382034525 /nfs/dbraw/zinc/03/45/25/382034525.db2.gz BCTNYNFJIWOQSX-ZUZCIYMTSA-N 2 2 282.790 3.051 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)ccn1 ZINC000362926809 382152988 /nfs/dbraw/zinc/15/29/88/382152988.db2.gz CYFXPOIAKZDHJA-UHFFFAOYSA-N 2 2 299.462 3.358 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000235510365 542312821 /nfs/dbraw/zinc/31/28/21/542312821.db2.gz MQBMFVFCBQQCFL-SMDDNHRTSA-N 2 2 297.240 3.242 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C)cc1 ZINC000368001680 382363647 /nfs/dbraw/zinc/36/36/47/382363647.db2.gz ZJAGQQOAQQDPSU-HUUCEWRRSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C)cc1 ZINC000368001680 382363653 /nfs/dbraw/zinc/36/36/53/382363653.db2.gz ZJAGQQOAQQDPSU-HUUCEWRRSA-N 2 2 269.392 3.316 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn[nH]c1 ZINC000280891858 195017784 /nfs/dbraw/zinc/01/77/84/195017784.db2.gz DFJITHHGVKBVML-CHWSQXEVSA-N 2 2 281.363 3.007 20 0 CGADLP c1ccc(NCCC[NH2+][C@H](c2cccnc2)C2CCC2)[nH+]c1 ZINC000280945230 195039470 /nfs/dbraw/zinc/03/94/70/195039470.db2.gz STEYFMMRLSUJEY-SFHVURJKSA-N 2 2 296.418 3.410 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271136164 542365147 /nfs/dbraw/zinc/36/51/47/542365147.db2.gz TZNGXBGDIQJYFK-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271136164 542365154 /nfs/dbraw/zinc/36/51/54/542365154.db2.gz TZNGXBGDIQJYFK-OAHLLOKOSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1cccc(CCC[NH2+]CCCc2c[nH+]ccc2C)n1 ZINC000289360589 197311254 /nfs/dbraw/zinc/31/12/54/197311254.db2.gz KJTBDKKKZKVQHF-UHFFFAOYSA-N 2 2 283.419 3.248 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)CCC[N@@H+]1C ZINC000350396970 219015215 /nfs/dbraw/zinc/01/52/15/219015215.db2.gz YAWSILWJPPXNHB-RFRSMIAGSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)CCC[N@H+]1C ZINC000350396970 219015216 /nfs/dbraw/zinc/01/52/16/219015216.db2.gz YAWSILWJPPXNHB-RFRSMIAGSA-N 2 2 280.362 3.050 20 0 CGADLP Cc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289290419 197286066 /nfs/dbraw/zinc/28/60/66/197286066.db2.gz PPXBQXTWDIXIMI-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353901055 220395350 /nfs/dbraw/zinc/39/53/50/220395350.db2.gz POSXAOCHQRPXFO-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288329654 197052353 /nfs/dbraw/zinc/05/23/53/197052353.db2.gz AORJJZNWLHBGHS-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288329654 197052355 /nfs/dbraw/zinc/05/23/55/197052355.db2.gz AORJJZNWLHBGHS-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000131534638 297398129 /nfs/dbraw/zinc/39/81/29/297398129.db2.gz ZWVYNVKZTFVVHX-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1Cl ZINC000131534638 297398132 /nfs/dbraw/zinc/39/81/32/297398132.db2.gz ZWVYNVKZTFVVHX-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000348098797 542514386 /nfs/dbraw/zinc/51/43/86/542514386.db2.gz BQQYXHJLEYACBM-RRCSTGOVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000348098797 542514387 /nfs/dbraw/zinc/51/43/87/542514387.db2.gz BQQYXHJLEYACBM-RRCSTGOVSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CC3)c2)c[nH+]1 ZINC000348106993 542514938 /nfs/dbraw/zinc/51/49/38/542514938.db2.gz QAXDIFQZSXULHU-ROUUACIJSA-N 2 2 281.403 3.210 20 0 CGADLP CC(C)(C)c1ccc(CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000356272392 542570932 /nfs/dbraw/zinc/57/09/32/542570932.db2.gz CXFJFTPKOKROEG-UHFFFAOYSA-N 2 2 283.419 3.239 20 0 CGADLP CC(C)(C)c1ccc(CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000356272392 542570934 /nfs/dbraw/zinc/57/09/34/542570934.db2.gz CXFJFTPKOKROEG-UHFFFAOYSA-N 2 2 283.419 3.239 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000423237864 533335266 /nfs/dbraw/zinc/33/52/66/533335266.db2.gz QGEQIFDQEKTZFF-DYVFJYSZSA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)COC2 ZINC000423235073 533412600 /nfs/dbraw/zinc/41/26/00/533412600.db2.gz GFISIVLUNTVLFB-FZKQIMNGSA-N 2 2 282.387 3.067 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586872 533419453 /nfs/dbraw/zinc/41/94/53/533419453.db2.gz JOPYNBCYNVCIBI-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(Cl)c1 ZINC000154586872 533419455 /nfs/dbraw/zinc/41/94/55/533419455.db2.gz JOPYNBCYNVCIBI-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccsc1 ZINC000423378540 533424141 /nfs/dbraw/zinc/42/41/41/533424141.db2.gz GBPZRCXFWKMWNS-YPMHNXCESA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1F ZINC000368500444 533466872 /nfs/dbraw/zinc/46/68/72/533466872.db2.gz WXKKCIPMIUPPRJ-GFCCVEGCSA-N 2 2 273.355 3.209 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423571575 533541075 /nfs/dbraw/zinc/54/10/75/533541075.db2.gz XULKFJCRYGJROA-NEPJUHHUSA-N 2 2 284.350 3.081 20 0 CGADLP FC1(F)CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000381877394 542599047 /nfs/dbraw/zinc/59/90/47/542599047.db2.gz NLLBPWMKSVPVQB-JKSUJKDBSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381877394 542599051 /nfs/dbraw/zinc/59/90/51/542599051.db2.gz NLLBPWMKSVPVQB-JKSUJKDBSA-N 2 2 294.389 3.428 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389355709 542607991 /nfs/dbraw/zinc/60/79/91/542607991.db2.gz LXIOHLDCMLFXSQ-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389355709 542607993 /nfs/dbraw/zinc/60/79/93/542607993.db2.gz LXIOHLDCMLFXSQ-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485534 542608788 /nfs/dbraw/zinc/60/87/88/542608788.db2.gz YKXLYCLMKCDSGQ-NVXWUHKLSA-N 2 2 290.451 3.090 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000389485534 542608789 /nfs/dbraw/zinc/60/87/89/542608789.db2.gz YKXLYCLMKCDSGQ-NVXWUHKLSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869228 542609700 /nfs/dbraw/zinc/60/97/00/542609700.db2.gz OGHMPAYKYQIEBU-BEFAXECRSA-N 2 2 296.414 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000389869228 542609701 /nfs/dbraw/zinc/60/97/01/542609701.db2.gz OGHMPAYKYQIEBU-BEFAXECRSA-N 2 2 296.414 3.002 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350688 542637686 /nfs/dbraw/zinc/63/76/86/542637686.db2.gz UPYKUMCKBWHQNY-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)C1 ZINC000414350688 542637688 /nfs/dbraw/zinc/63/76/88/542637688.db2.gz UPYKUMCKBWHQNY-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000223512309 130795159 /nfs/dbraw/zinc/79/51/59/130795159.db2.gz SUPBWHTWTUXUPY-YOEHRIQHSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)CCC2 ZINC000361747358 392310287 /nfs/dbraw/zinc/31/02/87/392310287.db2.gz ZPXLDJBWLLXAAJ-LQKXBSAESA-N 2 2 275.440 3.483 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000361345257 392280200 /nfs/dbraw/zinc/28/02/00/392280200.db2.gz IHJAVAQEPVSACU-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000361345257 392280204 /nfs/dbraw/zinc/28/02/04/392280204.db2.gz IHJAVAQEPVSACU-INMHGKMJSA-N 2 2 282.472 3.044 20 0 CGADLP Cn1c(CCC[NH2+]CC(C)(C)C)[nH+]c2ccccc21 ZINC000107796510 392328607 /nfs/dbraw/zinc/32/86/07/392328607.db2.gz PFWUPIJEWGNHIE-UHFFFAOYSA-N 2 2 259.397 3.142 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000361860113 392347499 /nfs/dbraw/zinc/34/74/99/392347499.db2.gz JQCVLPKSTRUAMC-KRWDZBQOSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000361860113 392347500 /nfs/dbraw/zinc/34/75/00/392347500.db2.gz JQCVLPKSTRUAMC-KRWDZBQOSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000362030237 392391494 /nfs/dbraw/zinc/39/14/94/392391494.db2.gz WRYDCAQKRMAZGA-QZTJIDSGSA-N 2 2 299.418 3.171 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000122290736 392420414 /nfs/dbraw/zinc/42/04/14/392420414.db2.gz XMGVFTAFBDBWQL-PPWQZUPISA-N 2 2 250.430 3.170 20 0 CGADLP CCC1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000122290736 392420418 /nfs/dbraw/zinc/42/04/18/392420418.db2.gz XMGVFTAFBDBWQL-PPWQZUPISA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H](C)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000290544494 392449372 /nfs/dbraw/zinc/44/93/72/392449372.db2.gz RLFNQEARYOPXMS-AWEZNQCLSA-N 2 2 264.413 3.222 20 0 CGADLP CC[C@H](C)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000290544494 392449375 /nfs/dbraw/zinc/44/93/75/392449375.db2.gz RLFNQEARYOPXMS-AWEZNQCLSA-N 2 2 264.413 3.222 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131545876 392457495 /nfs/dbraw/zinc/45/74/95/392457495.db2.gz IYQIGTOLVKCQDV-ZFWWWQNUSA-N 2 2 273.380 3.258 20 0 CGADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc[nH+]c2)o1 ZINC000131545876 392457498 /nfs/dbraw/zinc/45/74/98/392457498.db2.gz IYQIGTOLVKCQDV-ZFWWWQNUSA-N 2 2 273.380 3.258 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000368090552 392486203 /nfs/dbraw/zinc/48/62/03/392486203.db2.gz SEKCAJDFAQCNNP-LBPRGKRZSA-N 2 2 275.440 3.462 20 0 CGADLP CC1(C)CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC(C)(C)C1 ZINC000368090552 392486207 /nfs/dbraw/zinc/48/62/07/392486207.db2.gz SEKCAJDFAQCNNP-LBPRGKRZSA-N 2 2 275.440 3.462 20 0 CGADLP C(=C/[C@H]1CCC[N@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000371637942 392541942 /nfs/dbraw/zinc/54/19/42/392541942.db2.gz MYTMQCWXAREHSM-KBOKABMXSA-N 2 2 267.376 3.061 20 0 CGADLP C(=C/[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000371637942 392541945 /nfs/dbraw/zinc/54/19/45/392541945.db2.gz MYTMQCWXAREHSM-KBOKABMXSA-N 2 2 267.376 3.061 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000177948838 392668979 /nfs/dbraw/zinc/66/89/79/392668979.db2.gz QDDBPYICWRUGTM-SLEUVZQESA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000177948838 392668986 /nfs/dbraw/zinc/66/89/86/392668986.db2.gz QDDBPYICWRUGTM-SLEUVZQESA-N 2 2 294.826 3.236 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccoc1C ZINC000320959240 392671379 /nfs/dbraw/zinc/67/13/79/392671379.db2.gz AGRWGMJGSCMRPW-UHFFFAOYSA-N 2 2 269.348 3.036 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@@H+]1C1CC1 ZINC000647330769 392674593 /nfs/dbraw/zinc/67/45/93/392674593.db2.gz OBLGOFSZUHKDJU-XJKSGUPXSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@H+]1C1CC1 ZINC000647330769 392674602 /nfs/dbraw/zinc/67/46/02/392674602.db2.gz OBLGOFSZUHKDJU-XJKSGUPXSA-N 2 2 288.410 3.420 20 0 CGADLP COc1ccc([C@@H](CC(C)C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000647309423 392656381 /nfs/dbraw/zinc/65/63/81/392656381.db2.gz RISAJAGNONDDBJ-QGZVFWFLSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000647316043 392660244 /nfs/dbraw/zinc/66/02/44/392660244.db2.gz MMAFNEFRIMOPFM-RHSMWYFYSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000647316043 392660246 /nfs/dbraw/zinc/66/02/46/392660246.db2.gz MMAFNEFRIMOPFM-RHSMWYFYSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CCC3CC3)cn21 ZINC000647363577 392707616 /nfs/dbraw/zinc/70/76/16/392707616.db2.gz DHKHDWYXIRVOCW-ZDUSSCGKSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365051 392708128 /nfs/dbraw/zinc/70/81/28/392708128.db2.gz XRJCDLYKOUFJLE-TZMCWYRMSA-N 2 2 259.397 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@H]3C3CCC3)cn21 ZINC000647364042 392708396 /nfs/dbraw/zinc/70/83/96/392708396.db2.gz QUVIHOIKPHSUNH-DLBZAZTESA-N 2 2 283.419 3.354 20 0 CGADLP CCCC[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647365074 392709912 /nfs/dbraw/zinc/70/99/12/392709912.db2.gz YMHPXZYDVZMTCD-ZDUSSCGKSA-N 2 2 259.397 3.354 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000335764594 392815643 /nfs/dbraw/zinc/81/56/43/392815643.db2.gz RNVNGDCMNZFCMW-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000335764594 392815648 /nfs/dbraw/zinc/81/56/48/392815648.db2.gz RNVNGDCMNZFCMW-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000510990640 392822628 /nfs/dbraw/zinc/82/26/28/392822628.db2.gz DBHXAUKJIBHGQP-XNJGSVPQSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000510990640 392822636 /nfs/dbraw/zinc/82/26/36/392822636.db2.gz DBHXAUKJIBHGQP-XNJGSVPQSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@@H](CC[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429080 392919956 /nfs/dbraw/zinc/91/99/56/392919956.db2.gz INTVZVZNPCRTAP-GJZGRUSLSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429080 392919963 /nfs/dbraw/zinc/91/99/63/392919963.db2.gz INTVZVZNPCRTAP-GJZGRUSLSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H](C)[NH+]1C ZINC000338794937 392928663 /nfs/dbraw/zinc/92/86/63/392928663.db2.gz MLZUGHQPBKHSRD-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991642 542722320 /nfs/dbraw/zinc/72/23/20/542722320.db2.gz CGJYBFUVHBJREW-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991642 542722321 /nfs/dbraw/zinc/72/23/21/542722321.db2.gz CGJYBFUVHBJREW-CYBMUJFWSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513759880 542732795 /nfs/dbraw/zinc/73/27/95/542732795.db2.gz HLMXYBJDSQHOEB-ZWKOTPCHSA-N 2 2 283.419 3.456 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340166423 392965334 /nfs/dbraw/zinc/96/53/34/392965334.db2.gz PIDKVQUOOSXDRL-QZTJIDSGSA-N 2 2 281.403 3.007 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C[C@@H]1c1ccccc1 ZINC000340166423 392965337 /nfs/dbraw/zinc/96/53/37/392965337.db2.gz PIDKVQUOOSXDRL-QZTJIDSGSA-N 2 2 281.403 3.007 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346802618 393094678 /nfs/dbraw/zinc/09/46/78/393094678.db2.gz DIKCFFWCNWNMGU-YNEHKIRRSA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346802618 393094685 /nfs/dbraw/zinc/09/46/85/393094685.db2.gz DIKCFFWCNWNMGU-YNEHKIRRSA-N 2 2 252.427 3.190 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467376500 393095493 /nfs/dbraw/zinc/09/54/93/393095493.db2.gz KGNRNXOZJWEPDA-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467376500 393095497 /nfs/dbraw/zinc/09/54/97/393095497.db2.gz KGNRNXOZJWEPDA-GFCCVEGCSA-N 2 2 288.357 3.178 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000415034336 393104958 /nfs/dbraw/zinc/10/49/58/393104958.db2.gz HQSALFAXPJRNEY-CQSZACIVSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000648472373 393043005 /nfs/dbraw/zinc/04/30/05/393043005.db2.gz WNAGNISMTHQRQW-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000648472373 393043009 /nfs/dbraw/zinc/04/30/09/393043009.db2.gz WNAGNISMTHQRQW-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000648480320 393053500 /nfs/dbraw/zinc/05/35/00/393053500.db2.gz GZHSNWNZJIMQLQ-FHLIZLRMSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000648480320 393053505 /nfs/dbraw/zinc/05/35/05/393053505.db2.gz GZHSNWNZJIMQLQ-FHLIZLRMSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]1 ZINC000414951315 393061557 /nfs/dbraw/zinc/06/15/57/393061557.db2.gz PQUAFIJGIXZASW-GXTWGEPZSA-N 2 2 287.432 3.040 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000415058191 393120072 /nfs/dbraw/zinc/12/00/72/393120072.db2.gz UQSBTNPMNNEOEF-VIFPVBQESA-N 2 2 280.359 3.230 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000415070082 393128762 /nfs/dbraw/zinc/12/87/62/393128762.db2.gz UKMDTLCJWYFKLT-YXJHDRRASA-N 2 2 290.451 3.044 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415079365 393134102 /nfs/dbraw/zinc/13/41/02/393134102.db2.gz JZEZFIXYDINKEZ-AVGNSLFASA-N 2 2 280.387 3.016 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415106191 393146793 /nfs/dbraw/zinc/14/67/93/393146793.db2.gz MVMMOXXCHMSRAA-UONOGXRCSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000415128891 393153072 /nfs/dbraw/zinc/15/30/72/393153072.db2.gz OOWWZIWXPFBNSP-IUCAKERBSA-N 2 2 293.263 3.472 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C[C@@H]1C[NH3+] ZINC000415128891 393153081 /nfs/dbraw/zinc/15/30/81/393153081.db2.gz OOWWZIWXPFBNSP-IUCAKERBSA-N 2 2 293.263 3.472 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000269063215 393222797 /nfs/dbraw/zinc/22/27/97/393222797.db2.gz YFPVZPWSSFZIKI-ABAIWWIYSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000269063215 393222802 /nfs/dbraw/zinc/22/28/02/393222802.db2.gz YFPVZPWSSFZIKI-ABAIWWIYSA-N 2 2 284.806 3.299 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000353946326 393234765 /nfs/dbraw/zinc/23/47/65/393234765.db2.gz UNAIEVFCVNBPPY-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000353946326 393234771 /nfs/dbraw/zinc/23/47/71/393234771.db2.gz UNAIEVFCVNBPPY-ILXRZTDVSA-N 2 2 284.513 3.371 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000352836710 393211090 /nfs/dbraw/zinc/21/10/90/393211090.db2.gz WYBIQKXXDJTJQC-DKIMLUQUSA-N 2 2 294.483 3.068 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000469780479 393214606 /nfs/dbraw/zinc/21/46/06/393214606.db2.gz OYNVCEAJXUOXNO-HNNXBMFYSA-N 2 2 286.463 3.254 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773262 393324126 /nfs/dbraw/zinc/32/41/26/393324126.db2.gz WTIBFKDQWZTHKI-AEFFLSMTSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000278773262 393324132 /nfs/dbraw/zinc/32/41/32/393324132.db2.gz WTIBFKDQWZTHKI-AEFFLSMTSA-N 2 2 283.419 3.460 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC000649287342 393392182 /nfs/dbraw/zinc/39/21/82/393392182.db2.gz SRPCAZHENNQTDG-INIZCTEOSA-N 2 2 259.397 3.411 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC000649287342 393392186 /nfs/dbraw/zinc/39/21/86/393392186.db2.gz SRPCAZHENNQTDG-INIZCTEOSA-N 2 2 259.397 3.411 20 0 CGADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCCC1 ZINC000474478063 393341120 /nfs/dbraw/zinc/34/11/20/393341120.db2.gz JPBIYCTWRWYWEI-MAUKXSAKSA-N 2 2 274.452 3.328 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000417359367 393349464 /nfs/dbraw/zinc/34/94/64/393349464.db2.gz VQUVSKRBNSCIPK-OAHLLOKOSA-N 2 2 258.409 3.093 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000474895894 393355547 /nfs/dbraw/zinc/35/55/47/393355547.db2.gz YEHVCDDGTTXYME-WBVHZDCISA-N 2 2 262.441 3.356 20 0 CGADLP FC1(F)CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000647170009 393367459 /nfs/dbraw/zinc/36/74/59/393367459.db2.gz KCHTXOVUPOIHRN-UHFFFAOYSA-N 2 2 260.372 3.030 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000475094267 393370501 /nfs/dbraw/zinc/37/05/01/393370501.db2.gz USCVEBTWUVQUJO-HUUCEWRRSA-N 2 2 290.451 3.261 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000475101476 393372217 /nfs/dbraw/zinc/37/22/17/393372217.db2.gz DBJZQWPWPJEARB-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000475101476 393372224 /nfs/dbraw/zinc/37/22/24/393372224.db2.gz DBJZQWPWPJEARB-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000475101476 393372229 /nfs/dbraw/zinc/37/22/29/393372229.db2.gz DBJZQWPWPJEARB-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000475101476 393372234 /nfs/dbraw/zinc/37/22/34/393372234.db2.gz DBJZQWPWPJEARB-RHSMWYFYSA-N 2 2 292.854 3.428 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000420381684 393479778 /nfs/dbraw/zinc/47/97/78/393479778.db2.gz ZEKLBZRXYYNQOD-UHIISALHSA-N 2 2 286.341 3.182 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@H](C)C3)cn21 ZINC000647262609 393421168 /nfs/dbraw/zinc/42/11/68/393421168.db2.gz GTUQOMDKVJITHO-ZFWWWQNUSA-N 2 2 271.408 3.354 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2ccc(C)cc21)[NH+]1CCCC1 ZINC000480784890 393436419 /nfs/dbraw/zinc/43/64/19/393436419.db2.gz FGKNTYQMJFVTPN-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000481582266 393437401 /nfs/dbraw/zinc/43/74/01/393437401.db2.gz NUIZKGBZOZPPNN-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000481582266 393437406 /nfs/dbraw/zinc/43/74/06/393437406.db2.gz NUIZKGBZOZPPNN-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294568 393451449 /nfs/dbraw/zinc/45/14/49/393451449.db2.gz BGIYIIYXWGEQNZ-MNOVXSKESA-N 2 2 274.330 3.436 20 0 CGADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294568 393451452 /nfs/dbraw/zinc/45/14/52/393451452.db2.gz BGIYIIYXWGEQNZ-MNOVXSKESA-N 2 2 274.330 3.436 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000420300128 393455692 /nfs/dbraw/zinc/45/56/92/393455692.db2.gz HFSAVVLRGKPTKW-SNVBAGLBSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000420300128 393455701 /nfs/dbraw/zinc/45/57/01/393455701.db2.gz HFSAVVLRGKPTKW-SNVBAGLBSA-N 2 2 272.314 3.017 20 0 CGADLP CCCOc1ccc(C[N@H+](CCC)C[C@@H](C)[NH3+])cc1OC ZINC000420321787 393466641 /nfs/dbraw/zinc/46/66/41/393466641.db2.gz RTRNGZSEJRQRBA-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP CCCOc1ccc(C[N@@H+](CCC)C[C@@H](C)[NH3+])cc1OC ZINC000420321787 393466649 /nfs/dbraw/zinc/46/66/49/393466649.db2.gz RTRNGZSEJRQRBA-CQSZACIVSA-N 2 2 294.439 3.043 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328743 393468534 /nfs/dbraw/zinc/46/85/34/393468534.db2.gz FNUWMTLRWATIRM-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328743 393468539 /nfs/dbraw/zinc/46/85/39/393468539.db2.gz FNUWMTLRWATIRM-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@H](C[N@@H+](C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420359966 393474283 /nfs/dbraw/zinc/47/42/83/393474283.db2.gz LIMRRRWYKZYXDD-VHSXEESVSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@H](C[N@H+](C)C[C@H](C)[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420359966 393474286 /nfs/dbraw/zinc/47/42/86/393474286.db2.gz LIMRRRWYKZYXDD-VHSXEESVSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000420378483 393478408 /nfs/dbraw/zinc/47/84/08/393478408.db2.gz UNGZBTGUWYHUQT-BQBZGAKWSA-N 2 2 265.159 3.130 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1F ZINC000420410102 393484936 /nfs/dbraw/zinc/48/49/36/393484936.db2.gz QYSCMVQSDMQQRO-TVQRCGJNSA-N 2 2 258.768 3.113 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)Cc1ccccc1 ZINC000488443613 393515724 /nfs/dbraw/zinc/51/57/24/393515724.db2.gz WBCBGCGZKWGAPA-SZMVWBNQSA-N 2 2 274.452 3.185 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000488447234 393516734 /nfs/dbraw/zinc/51/67/34/393516734.db2.gz ZVYNGDNFMMISMY-BPQIPLTHSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000488447234 393516737 /nfs/dbraw/zinc/51/67/37/393516737.db2.gz ZVYNGDNFMMISMY-BPQIPLTHSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000488446677 393517039 /nfs/dbraw/zinc/51/70/39/393517039.db2.gz HMICDXVEUZYJFI-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000488446677 393517044 /nfs/dbraw/zinc/51/70/44/393517044.db2.gz HMICDXVEUZYJFI-ZBFHGGJFSA-N 2 2 260.425 3.143 20 0 CGADLP COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649632621 393518724 /nfs/dbraw/zinc/51/87/24/393518724.db2.gz QQWYWGKVNPUVMO-ZDUSSCGKSA-N 2 2 296.842 3.268 20 0 CGADLP COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649632621 393518728 /nfs/dbraw/zinc/51/87/28/393518728.db2.gz QQWYWGKVNPUVMO-ZDUSSCGKSA-N 2 2 296.842 3.268 20 0 CGADLP CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000649701691 393548031 /nfs/dbraw/zinc/54/80/31/393548031.db2.gz KFPQLEFVQLYAKM-SFHVURJKSA-N 2 2 299.418 3.262 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000430549300 393573388 /nfs/dbraw/zinc/57/33/88/393573388.db2.gz INBLOGBJFQURBL-CYBMUJFWSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000430549300 393573394 /nfs/dbraw/zinc/57/33/94/393573394.db2.gz INBLOGBJFQURBL-CYBMUJFWSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCSCc1ccccc1 ZINC000430751253 393593342 /nfs/dbraw/zinc/59/33/42/393593342.db2.gz UHARBYPTYLPADB-MRXNPFEDSA-N 2 2 292.492 3.384 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000360779617 393587392 /nfs/dbraw/zinc/58/73/92/393587392.db2.gz BDMOTPYIXJHQMY-OIPACUDHSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)C1 ZINC000360779617 393587397 /nfs/dbraw/zinc/58/73/97/393587397.db2.gz BDMOTPYIXJHQMY-OIPACUDHSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360984837 393628654 /nfs/dbraw/zinc/62/86/54/393628654.db2.gz FMQZXWOARBIIQH-VSZNYVQBSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360984837 393628657 /nfs/dbraw/zinc/62/86/57/393628657.db2.gz FMQZXWOARBIIQH-VSZNYVQBSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000361011771 393640545 /nfs/dbraw/zinc/64/05/45/393640545.db2.gz VEYNWERSHYWZGD-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423191152 393653430 /nfs/dbraw/zinc/65/34/30/393653430.db2.gz OMGHGLIQXZBSIG-GWCFXTLKSA-N 2 2 282.840 3.219 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423263550 393657252 /nfs/dbraw/zinc/65/72/52/393657252.db2.gz OTQMOJFRWYBHQV-JSGCOSHPSA-N 2 2 264.413 3.256 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1F ZINC000423262412 393658164 /nfs/dbraw/zinc/65/81/64/393658164.db2.gz MKVSKXJNIBHDQH-IUODEOHRSA-N 2 2 252.377 3.240 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCOc2ccccc21 ZINC000423294065 393659308 /nfs/dbraw/zinc/65/93/08/393659308.db2.gz BDOQMRHYOVYZJY-HIFRSBDPSA-N 2 2 262.397 3.007 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000423297687 393660375 /nfs/dbraw/zinc/66/03/75/393660375.db2.gz LKBKDFSDSOJZQQ-NEPJUHHUSA-N 2 2 286.366 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000491016360 393662540 /nfs/dbraw/zinc/66/25/40/393662540.db2.gz BZYRDTGDXHYXGO-BFQNTYOBSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(Cl)c1 ZINC000491016360 393662542 /nfs/dbraw/zinc/66/25/42/393662542.db2.gz BZYRDTGDXHYXGO-BFQNTYOBSA-N 2 2 278.827 3.473 20 0 CGADLP CC(C)OCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063760 393662715 /nfs/dbraw/zinc/66/27/15/393662715.db2.gz VJAXFEGMXQLKTF-UHFFFAOYSA-N 2 2 293.455 3.190 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069645 393664959 /nfs/dbraw/zinc/66/49/59/393664959.db2.gz RQWPZMXWROWBGY-CRAIPNDOSA-N 2 2 288.435 3.363 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000361069645 393664960 /nfs/dbraw/zinc/66/49/60/393664960.db2.gz RQWPZMXWROWBGY-CRAIPNDOSA-N 2 2 288.435 3.363 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423423815 393666550 /nfs/dbraw/zinc/66/65/50/393666550.db2.gz LAWUTWKROUGGFX-MOPGFXCFSA-N 2 2 295.430 3.255 20 0 CGADLP CC[C@@H](F)C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767432 393734551 /nfs/dbraw/zinc/73/45/51/393734551.db2.gz UMHYNXNJJZUIIV-ILXRZTDVSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](F)CC)CC1 ZINC000440767432 393734557 /nfs/dbraw/zinc/73/45/57/393734557.db2.gz UMHYNXNJJZUIIV-ILXRZTDVSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC000440767432 393734559 /nfs/dbraw/zinc/73/45/59/393734559.db2.gz UMHYNXNJJZUIIV-ILXRZTDVSA-N 2 2 276.415 3.269 20 0 CGADLP CC[C@@H](F)C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC000440767432 393734564 /nfs/dbraw/zinc/73/45/64/393734564.db2.gz UMHYNXNJJZUIIV-ILXRZTDVSA-N 2 2 276.415 3.269 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066155 393742083 /nfs/dbraw/zinc/74/20/83/393742083.db2.gz RFKNPVSIPCJCNK-BZUAXINKSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066155 393742085 /nfs/dbraw/zinc/74/20/85/393742085.db2.gz RFKNPVSIPCJCNK-BZUAXINKSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948204 542828294 /nfs/dbraw/zinc/82/82/94/542828294.db2.gz VOJYXVXVACDIPJ-VWYCJHECSA-N 2 2 290.835 3.012 20 0 CGADLP CC(C)C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000503022235 393890039 /nfs/dbraw/zinc/89/00/39/393890039.db2.gz IOQFLQPYYBLLGK-KSZLIROESA-N 2 2 274.452 3.356 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[NH+](C)C ZINC000449555489 393900338 /nfs/dbraw/zinc/90/03/38/393900338.db2.gz HDVYFIJRBSPOHT-USXIJHARSA-N 2 2 260.425 3.037 20 0 CGADLP CO[C@@H]1C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635858 393930473 /nfs/dbraw/zinc/93/04/73/393930473.db2.gz VCFCGLPRMDZRGB-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635858 393930476 /nfs/dbraw/zinc/93/04/76/393930476.db2.gz VCFCGLPRMDZRGB-DLBZAZTESA-N 2 2 288.435 3.212 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450503438 394007703 /nfs/dbraw/zinc/00/77/03/394007703.db2.gz XNVRQXDKDQOIDV-HIFRSBDPSA-N 2 2 296.361 3.360 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450503438 394007709 /nfs/dbraw/zinc/00/77/09/394007709.db2.gz XNVRQXDKDQOIDV-HIFRSBDPSA-N 2 2 296.361 3.360 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C2CC2)C1 ZINC000451036557 394041129 /nfs/dbraw/zinc/04/11/29/394041129.db2.gz GCNQLOYLOVFHDW-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C2CC2)C1 ZINC000451036557 394041132 /nfs/dbraw/zinc/04/11/32/394041132.db2.gz GCNQLOYLOVFHDW-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000451036557 394041135 /nfs/dbraw/zinc/04/11/35/394041135.db2.gz GCNQLOYLOVFHDW-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000451036557 394041138 /nfs/dbraw/zinc/04/11/38/394041138.db2.gz GCNQLOYLOVFHDW-IRXDYDNUSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Cl)cc2)n1C ZINC000667475653 542873828 /nfs/dbraw/zinc/87/38/28/542873828.db2.gz YKAPVCJPVYLJAV-UHFFFAOYSA-N 2 2 263.772 3.014 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1C ZINC000667475653 542873833 /nfs/dbraw/zinc/87/38/33/542873833.db2.gz YKAPVCJPVYLJAV-UHFFFAOYSA-N 2 2 263.772 3.014 20 0 CGADLP c1csc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667482067 542874449 /nfs/dbraw/zinc/87/44/49/542874449.db2.gz QSLICNDYJMQXMF-CYBMUJFWSA-N 2 2 273.405 3.228 20 0 CGADLP c1csc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c1 ZINC000667482067 542874453 /nfs/dbraw/zinc/87/44/53/542874453.db2.gz QSLICNDYJMQXMF-CYBMUJFWSA-N 2 2 273.405 3.228 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2sccc21 ZINC000453063772 394158114 /nfs/dbraw/zinc/15/81/14/394158114.db2.gz VKYDEQAFKVMCMX-WCQYABFASA-N 2 2 261.394 3.173 20 0 CGADLP C[C@@H](C[NH2+]C1CCc2ccccc2CC1)[N@H+](C)C1CC1 ZINC000453102581 394171761 /nfs/dbraw/zinc/17/17/61/394171761.db2.gz QAPFCPQESOLLSB-AWEZNQCLSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H](C[NH2+]C1CCc2ccccc2CC1)[N@@H+](C)C1CC1 ZINC000453102581 394171766 /nfs/dbraw/zinc/17/17/66/394171766.db2.gz QAPFCPQESOLLSB-AWEZNQCLSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000037214781 134834381 /nfs/dbraw/zinc/83/43/81/134834381.db2.gz ONFXZTXXOUVNQE-INMHGKMJSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179226 135101977 /nfs/dbraw/zinc/10/19/77/135101977.db2.gz DAFBSNTZALDSGC-HZPDHXFCSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179226 135101979 /nfs/dbraw/zinc/10/19/79/135101979.db2.gz DAFBSNTZALDSGC-HZPDHXFCSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179223 135102071 /nfs/dbraw/zinc/10/20/71/135102071.db2.gz DAFBSNTZALDSGC-CVEARBPZSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000272179223 135102072 /nfs/dbraw/zinc/10/20/72/135102072.db2.gz DAFBSNTZALDSGC-CVEARBPZSA-N 2 2 273.424 3.172 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1c1ccccc1 ZINC000667670385 542912819 /nfs/dbraw/zinc/91/28/19/542912819.db2.gz MOWOJDACPOOWJQ-YJBOKZPZSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1c1ccccc1 ZINC000667670385 542912821 /nfs/dbraw/zinc/91/28/21/542912821.db2.gz MOWOJDACPOOWJQ-YJBOKZPZSA-N 2 2 295.430 3.455 20 0 CGADLP Fc1ccccc1C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667658019 542908870 /nfs/dbraw/zinc/90/88/70/542908870.db2.gz WUQIEJYJLSQPCY-UHFFFAOYSA-N 2 2 299.393 3.348 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(c3ccsc3)CC2)n1C ZINC000668008336 542957596 /nfs/dbraw/zinc/95/75/96/542957596.db2.gz UHUIIKQVZRQLLG-UHFFFAOYSA-N 2 2 275.421 3.170 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668097035 542969262 /nfs/dbraw/zinc/96/92/62/542969262.db2.gz WTRNXCAAESSRJK-ZDUSSCGKSA-N 2 2 261.413 3.087 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)n1C ZINC000668246038 542998344 /nfs/dbraw/zinc/99/83/44/542998344.db2.gz SZPQDTMRBIJGQF-KRWDZBQOSA-N 2 2 283.419 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)n1C ZINC000668246038 542998347 /nfs/dbraw/zinc/99/83/47/542998347.db2.gz SZPQDTMRBIJGQF-KRWDZBQOSA-N 2 2 283.419 3.497 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000668299755 543004693 /nfs/dbraw/zinc/00/46/93/543004693.db2.gz RQBZNBRIMXCSNA-WFASDCNBSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000668299755 543004697 /nfs/dbraw/zinc/00/46/97/543004697.db2.gz RQBZNBRIMXCSNA-WFASDCNBSA-N 2 2 273.405 3.308 20 0 CGADLP CC(C)[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000668441922 543013150 /nfs/dbraw/zinc/01/31/50/543013150.db2.gz XKJDGTDQQIXEPK-UHFFFAOYSA-N 2 2 273.424 3.245 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458214 543015537 /nfs/dbraw/zinc/01/55/37/543015537.db2.gz CJOAFJLDYMSKSI-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000668458214 543015540 /nfs/dbraw/zinc/01/55/40/543015540.db2.gz CJOAFJLDYMSKSI-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP CCC[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668540048 543025182 /nfs/dbraw/zinc/02/51/82/543025182.db2.gz VCODPNVVEUJKCI-QGZVFWFLSA-N 2 2 260.425 3.064 20 0 CGADLP CCC[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668540048 543025184 /nfs/dbraw/zinc/02/51/84/543025184.db2.gz VCODPNVVEUJKCI-QGZVFWFLSA-N 2 2 260.425 3.064 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000668616054 543035826 /nfs/dbraw/zinc/03/58/26/543035826.db2.gz DZZBBPPOMSZYGD-JKSUJKDBSA-N 2 2 290.451 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2C(C)(C)C2(F)F)c[nH+]1 ZINC000668679995 543044200 /nfs/dbraw/zinc/04/42/00/543044200.db2.gz UWCNQRJPPHFYPS-ZDUSSCGKSA-N 2 2 268.351 3.204 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000668682581 543044538 /nfs/dbraw/zinc/04/45/38/543044538.db2.gz KLGXGSDNENMVSL-AOCRQIFASA-N 2 2 272.436 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000668682581 543044541 /nfs/dbraw/zinc/04/45/41/543044541.db2.gz KLGXGSDNENMVSL-AOCRQIFASA-N 2 2 272.436 3.181 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](C)C(C)(C)C)CC2)c1 ZINC000670262623 543145880 /nfs/dbraw/zinc/14/58/80/543145880.db2.gz VLUCIZBMKCZHQG-HNNXBMFYSA-N 2 2 275.440 3.194 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000674070673 543266997 /nfs/dbraw/zinc/26/69/97/543266997.db2.gz RKIHZICCMLTAPU-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000043391255 397616142 /nfs/dbraw/zinc/61/61/42/397616142.db2.gz WYVAGSKKHZEYPD-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000043391255 397616143 /nfs/dbraw/zinc/61/61/43/397616143.db2.gz WYVAGSKKHZEYPD-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(F)(F)CC1 ZINC000397532339 397697493 /nfs/dbraw/zinc/69/74/93/397697493.db2.gz CVVWSQFNENIEHK-UHFFFAOYSA-N 2 2 254.324 3.100 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC1 ZINC000650739975 397904185 /nfs/dbraw/zinc/90/41/85/397904185.db2.gz DCBCBAILUJQTRI-GDBMZVCRSA-N 2 2 258.409 3.104 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675832947 543367903 /nfs/dbraw/zinc/36/79/03/543367903.db2.gz FEVKPJQHFDJWDX-IKGGRYGDSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675832947 543367906 /nfs/dbraw/zinc/36/79/06/543367906.db2.gz FEVKPJQHFDJWDX-IKGGRYGDSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833838 543368326 /nfs/dbraw/zinc/36/83/26/543368326.db2.gz PLFVMAYJLNIINK-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833838 543368328 /nfs/dbraw/zinc/36/83/28/543368328.db2.gz PLFVMAYJLNIINK-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000675834745 543368757 /nfs/dbraw/zinc/36/87/57/543368757.db2.gz ZFAYZRYMYINBFE-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000675834745 543368760 /nfs/dbraw/zinc/36/87/60/543368760.db2.gz ZFAYZRYMYINBFE-NVXWUHKLSA-N 2 2 272.436 3.438 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924815 543374146 /nfs/dbraw/zinc/37/41/46/543374146.db2.gz VFUHGFVKQQFZMW-PMPSAXMXSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924815 543374148 /nfs/dbraw/zinc/37/41/48/543374148.db2.gz VFUHGFVKQQFZMW-PMPSAXMXSA-N 2 2 252.446 3.133 20 0 CGADLP FC(F)(F)CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676888130 543422574 /nfs/dbraw/zinc/42/25/74/543422574.db2.gz QCUFLQAYMFCMSB-LBPRGKRZSA-N 2 2 275.318 3.253 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000678361500 543517681 /nfs/dbraw/zinc/51/76/81/543517681.db2.gz DLFKIYFLJVZBRH-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000678460874 543527894 /nfs/dbraw/zinc/52/78/94/543527894.db2.gz BYDVIOQYYUUSAB-OAGGEKHMSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000678460874 543527897 /nfs/dbraw/zinc/52/78/97/543527897.db2.gz BYDVIOQYYUUSAB-OAGGEKHMSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000678460875 543527956 /nfs/dbraw/zinc/52/79/56/543527956.db2.gz BYDVIOQYYUUSAB-OWCLPIDISA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000678460875 543527957 /nfs/dbraw/zinc/52/79/57/543527957.db2.gz BYDVIOQYYUUSAB-OWCLPIDISA-N 2 2 261.413 3.346 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000678602260 543541587 /nfs/dbraw/zinc/54/15/87/543541587.db2.gz BQIRVMNFUXGRHS-ZBFHGGJFSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000678602260 543541591 /nfs/dbraw/zinc/54/15/91/543541591.db2.gz BQIRVMNFUXGRHS-ZBFHGGJFSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)[N@H+](C)C1CC1 ZINC000678769597 543555009 /nfs/dbraw/zinc/55/50/09/543555009.db2.gz WQLWBUYMCKOPCK-QWQRMKEZSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000678769597 543555012 /nfs/dbraw/zinc/55/50/12/543555012.db2.gz WQLWBUYMCKOPCK-QWQRMKEZSA-N 2 2 272.436 3.382 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C)C1CC1 ZINC000678999383 543580869 /nfs/dbraw/zinc/58/08/69/543580869.db2.gz APDSCJBYPFXUCZ-KRWDZBQOSA-N 2 2 287.451 3.347 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C ZINC000494587418 292247836 /nfs/dbraw/zinc/24/78/36/292247836.db2.gz SQAQQMKTLWLAMD-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1C ZINC000494587418 292247837 /nfs/dbraw/zinc/24/78/37/292247837.db2.gz SQAQQMKTLWLAMD-RLFYNMQTSA-N 2 2 272.436 3.437 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC000344034828 286383650 /nfs/dbraw/zinc/38/36/50/286383650.db2.gz OWRAAJCXLFOOGD-JKSUJKDBSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000556166290 289374602 /nfs/dbraw/zinc/37/46/02/289374602.db2.gz NTVRTYHJVLAQNR-OAHLLOKOSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017600 543583187 /nfs/dbraw/zinc/58/31/87/543583187.db2.gz XETFPJXCGCXMCW-CJNGLKHVSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000679017600 543583189 /nfs/dbraw/zinc/58/31/89/543583189.db2.gz XETFPJXCGCXMCW-CJNGLKHVSA-N 2 2 276.399 3.135 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000040500493 286891184 /nfs/dbraw/zinc/89/11/84/286891184.db2.gz RKZQXYMUACFKJS-MRXNPFEDSA-N 2 2 260.425 3.002 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc2c(s1)CCC2 ZINC000459633769 287029583 /nfs/dbraw/zinc/02/95/83/287029583.db2.gz LSCJPUMYKWARDK-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc2c(s1)CCC2 ZINC000459633769 287029590 /nfs/dbraw/zinc/02/95/90/287029590.db2.gz LSCJPUMYKWARDK-CHWSQXEVSA-N 2 2 293.480 3.157 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000072742623 165073758 /nfs/dbraw/zinc/07/37/58/165073758.db2.gz XXLUKNFRMVVMDI-CYBMUJFWSA-N 2 2 278.359 3.323 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835997 165106413 /nfs/dbraw/zinc/10/64/13/165106413.db2.gz KQBKMARKFLJDIX-MRXNPFEDSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835997 165106418 /nfs/dbraw/zinc/10/64/18/165106418.db2.gz KQBKMARKFLJDIX-MRXNPFEDSA-N 2 2 276.399 3.134 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000079742725 165149588 /nfs/dbraw/zinc/14/95/88/165149588.db2.gz JDODBPBQHSHBNA-WBVHZDCISA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nccs1 ZINC000086508069 165184042 /nfs/dbraw/zinc/18/40/42/165184042.db2.gz LWUPZNSNURQFSH-JTQLQIEISA-N 2 2 267.442 3.103 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802802 165243317 /nfs/dbraw/zinc/24/33/17/165243317.db2.gz UAUWYPQEITWPGY-UHFFFAOYSA-N 2 2 275.318 3.100 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CCC2)n1-c1ccccc1 ZINC000092128770 165281854 /nfs/dbraw/zinc/28/18/54/165281854.db2.gz RFMROCGXIQYXDX-UHFFFAOYSA-N 2 2 255.365 3.070 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cn1 ZINC000092196153 165287405 /nfs/dbraw/zinc/28/74/05/165287405.db2.gz CFJLVVKWCAFTFZ-LBPRGKRZSA-N 2 2 279.403 3.134 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000092659264 165306939 /nfs/dbraw/zinc/30/69/39/165306939.db2.gz RAIHLFQXAWEMBG-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000094868801 287123362 /nfs/dbraw/zinc/12/33/62/287123362.db2.gz GYBOQYUWZBWGQB-CYBMUJFWSA-N 2 2 250.386 3.195 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438806 287137450 /nfs/dbraw/zinc/13/74/50/287137450.db2.gz VYIDMULHKHXITJ-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438806 287137454 /nfs/dbraw/zinc/13/74/54/287137454.db2.gz VYIDMULHKHXITJ-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438806 287137457 /nfs/dbraw/zinc/13/74/57/287137457.db2.gz VYIDMULHKHXITJ-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438806 287137460 /nfs/dbraw/zinc/13/74/60/287137460.db2.gz VYIDMULHKHXITJ-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[NH+]1CCC(C)CC1 ZINC000486938644 298778356 /nfs/dbraw/zinc/77/83/56/298778356.db2.gz MYFDPVNPOOSBBV-ILXRZTDVSA-N 2 2 252.446 3.131 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000284442592 196056475 /nfs/dbraw/zinc/05/64/75/196056475.db2.gz SBHJLVQPXDKICX-AWEZNQCLSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000020127053 171011622 /nfs/dbraw/zinc/01/16/22/171011622.db2.gz KXUIULPPDKQXFS-GFCCVEGCSA-N 2 2 284.350 3.034 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccccc1 ZINC000020186713 171050988 /nfs/dbraw/zinc/05/09/88/171050988.db2.gz BIXSQMCTDQUXKE-UHFFFAOYSA-N 2 2 265.360 3.135 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1C ZINC000020506145 171228310 /nfs/dbraw/zinc/22/83/10/171228310.db2.gz DKSJIYATTLRHJV-HNNXBMFYSA-N 2 2 257.381 3.241 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000020506190 171228480 /nfs/dbraw/zinc/22/84/80/171228480.db2.gz JTJLBNQUYLBVFT-INIZCTEOSA-N 2 2 273.380 3.023 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000020828412 171275160 /nfs/dbraw/zinc/27/51/60/171275160.db2.gz DYQJPEFDMRHTQK-LJQANCHMSA-N 2 2 297.446 3.493 20 0 CGADLP c1cn(CC[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000285252973 196233608 /nfs/dbraw/zinc/23/36/08/196233608.db2.gz AQUCLAIGMOJZSY-BZSNNMDCSA-N 2 2 281.403 3.151 20 0 CGADLP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000285252973 196233610 /nfs/dbraw/zinc/23/36/10/196233610.db2.gz AQUCLAIGMOJZSY-BZSNNMDCSA-N 2 2 281.403 3.151 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000037318611 173118682 /nfs/dbraw/zinc/11/86/82/173118682.db2.gz MCWMLMFILOBDNN-LBPRGKRZSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000038028874 174018587 /nfs/dbraw/zinc/01/85/87/174018587.db2.gz LOIGMKPIXWMIDB-JKSUJKDBSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+]1CCCCC1 ZINC000038042157 174044014 /nfs/dbraw/zinc/04/40/14/174044014.db2.gz ZDRJGKJONQMICK-CYBMUJFWSA-N 2 2 272.396 3.097 20 0 CGADLP CCC[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000038352528 174140665 /nfs/dbraw/zinc/14/06/65/174140665.db2.gz DGFFPXZVZXNOHL-ZDUSSCGKSA-N 2 2 286.341 3.279 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000038352528 174140668 /nfs/dbraw/zinc/14/06/68/174140668.db2.gz DGFFPXZVZXNOHL-ZDUSSCGKSA-N 2 2 286.341 3.279 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000040640407 174364311 /nfs/dbraw/zinc/36/43/11/174364311.db2.gz GFTHGZCYPUCWQD-QZTJIDSGSA-N 2 2 288.435 3.190 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000040640407 174364313 /nfs/dbraw/zinc/36/43/13/174364313.db2.gz GFTHGZCYPUCWQD-QZTJIDSGSA-N 2 2 288.435 3.190 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000043324635 175006984 /nfs/dbraw/zinc/00/69/84/175006984.db2.gz POPZFCWHSHRVMV-GXSJLCMTSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049855419 175501167 /nfs/dbraw/zinc/50/11/67/175501167.db2.gz GSGUTUZJNPZCON-RHSMWYFYSA-N 2 2 285.391 3.092 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000071142179 176039890 /nfs/dbraw/zinc/03/98/90/176039890.db2.gz DCZLFBZTTONJMV-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000071142179 176039891 /nfs/dbraw/zinc/03/98/91/176039891.db2.gz DCZLFBZTTONJMV-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128966628 287321723 /nfs/dbraw/zinc/32/17/23/287321723.db2.gz XQWNQQWVVJTVBJ-GOEBONIOSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128966628 287321725 /nfs/dbraw/zinc/32/17/25/287321725.db2.gz XQWNQQWVVJTVBJ-GOEBONIOSA-N 2 2 272.436 3.179 20 0 CGADLP c1ccc(COc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000077253503 177242183 /nfs/dbraw/zinc/24/21/83/177242183.db2.gz BOGNNGJFWGAIQR-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP c1ccc(COc2cccc(C[N@H+]3CCC[NH2+]CC3)c2)cc1 ZINC000077253503 177242185 /nfs/dbraw/zinc/24/21/85/177242185.db2.gz BOGNNGJFWGAIQR-UHFFFAOYSA-N 2 2 296.414 3.061 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681388834 543785572 /nfs/dbraw/zinc/78/55/72/543785572.db2.gz BYZFQRSKOBYRKJ-AAEUAGOBSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681388834 543785576 /nfs/dbraw/zinc/78/55/76/543785576.db2.gz BYZFQRSKOBYRKJ-AAEUAGOBSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114380 543768742 /nfs/dbraw/zinc/76/87/42/543768742.db2.gz RUHIWLUCQLNAHV-IYOFFGIQSA-N 2 2 294.389 3.455 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000681114380 543768744 /nfs/dbraw/zinc/76/87/44/543768744.db2.gz RUHIWLUCQLNAHV-IYOFFGIQSA-N 2 2 294.389 3.455 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccsc1 ZINC000682376658 543838655 /nfs/dbraw/zinc/83/86/55/543838655.db2.gz PLBWNANJXGZTKM-INIZCTEOSA-N 2 2 296.480 3.290 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482641296 287379056 /nfs/dbraw/zinc/37/90/56/287379056.db2.gz KMTJRKKICWJGDS-RBSFLKMASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482641296 287379058 /nfs/dbraw/zinc/37/90/58/287379058.db2.gz KMTJRKKICWJGDS-RBSFLKMASA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683694470 543932821 /nfs/dbraw/zinc/93/28/21/543932821.db2.gz PSMNWYZMQFMKHN-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683694470 543932825 /nfs/dbraw/zinc/93/28/25/543932825.db2.gz PSMNWYZMQFMKHN-XJKSGUPXSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000359734128 292594125 /nfs/dbraw/zinc/59/41/25/292594125.db2.gz UUGWDRULZAWUDF-KRWDZBQOSA-N 2 2 258.409 3.058 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4cnccc4c3)CC2)c[nH+]1 ZINC000683827732 543945198 /nfs/dbraw/zinc/94/51/98/543945198.db2.gz MMCYCFYSTKTGOI-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684019992 543961288 /nfs/dbraw/zinc/96/12/88/543961288.db2.gz CLJUFXOJKCHMAI-UHFFFAOYSA-N 2 2 271.408 3.130 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000684368007 543986535 /nfs/dbraw/zinc/98/65/35/543986535.db2.gz YGWMSDVSXMDJEP-KZNAEPCWSA-N 2 2 296.499 3.434 20 0 CGADLP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000685463069 544075701 /nfs/dbraw/zinc/07/57/01/544075701.db2.gz OXLUPQOMIPTFBA-MLRPBERTSA-N 2 2 281.403 3.313 20 0 CGADLP C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000685463069 544075703 /nfs/dbraw/zinc/07/57/03/544075703.db2.gz OXLUPQOMIPTFBA-MLRPBERTSA-N 2 2 281.403 3.313 20 0 CGADLP CC1CC([NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000685468097 544076663 /nfs/dbraw/zinc/07/66/63/544076663.db2.gz JCTNZCIRPLIEQU-NWCILSHNSA-N 2 2 281.403 3.500 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881986 419027327 /nfs/dbraw/zinc/02/73/27/419027327.db2.gz CPNVVFOQASTZGI-CHWSQXEVSA-N 2 2 271.355 3.201 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881986 419027329 /nfs/dbraw/zinc/02/73/29/419027329.db2.gz CPNVVFOQASTZGI-CHWSQXEVSA-N 2 2 271.355 3.201 20 0 CGADLP Cc1cccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000664631033 418988999 /nfs/dbraw/zinc/98/89/99/418988999.db2.gz IJKRMSZLIPGFAD-MRXNPFEDSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1cccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000664631033 418989006 /nfs/dbraw/zinc/98/90/06/418989006.db2.gz IJKRMSZLIPGFAD-MRXNPFEDSA-N 2 2 267.376 3.076 20 0 CGADLP c1ccc2[nH+]c(NC[C@@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000664680118 418992682 /nfs/dbraw/zinc/99/26/82/418992682.db2.gz OVYJCEIGXGYCQP-AWEZNQCLSA-N 2 2 284.407 3.097 20 0 CGADLP c1ccc2[nH+]c(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000664680118 418992685 /nfs/dbraw/zinc/99/26/85/418992685.db2.gz OVYJCEIGXGYCQP-AWEZNQCLSA-N 2 2 284.407 3.097 20 0 CGADLP C[N@H+](Cc1ncc[nH]1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000660142150 419086210 /nfs/dbraw/zinc/08/62/10/419086210.db2.gz PARTVSNGHCELRB-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[N@@H+](Cc1ncc[nH]1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000660142150 419086215 /nfs/dbraw/zinc/08/62/15/419086215.db2.gz PARTVSNGHCELRB-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP CN(Cc1[nH]cc[nH+]1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000660142150 419086217 /nfs/dbraw/zinc/08/62/17/419086217.db2.gz PARTVSNGHCELRB-UHFFFAOYSA-N 2 2 298.434 3.028 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)c(F)c(F)c1 ZINC000665248868 419092496 /nfs/dbraw/zinc/09/24/96/419092496.db2.gz DRTQSNILAOOLNF-VIFPVBQESA-N 2 2 272.314 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655776312 419095278 /nfs/dbraw/zinc/09/52/78/419095278.db2.gz HFLHXXOYJFVQCJ-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278884 419101107 /nfs/dbraw/zinc/10/11/07/419101107.db2.gz QOQHGUWNNKAPFY-ZVLZOBCMSA-N 2 2 284.403 3.398 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000665295827 419108443 /nfs/dbraw/zinc/10/84/43/419108443.db2.gz JXYBRZBKJBXCMB-BXUZGUMPSA-N 2 2 282.815 3.060 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665296490 419108550 /nfs/dbraw/zinc/10/85/50/419108550.db2.gz TWXROTVPFXYHIQ-VXGBXAGGSA-N 2 2 260.381 3.254 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000665295555 419108947 /nfs/dbraw/zinc/10/89/47/419108947.db2.gz FVUVIKSKSPHPSE-LRDDRELGSA-N 2 2 260.381 3.327 20 0 CGADLP CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857351 419124955 /nfs/dbraw/zinc/12/49/55/419124955.db2.gz TXEKGCLTNNQDRB-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857351 419124957 /nfs/dbraw/zinc/12/49/57/419124957.db2.gz TXEKGCLTNNQDRB-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000665296112 419109218 /nfs/dbraw/zinc/10/92/18/419109218.db2.gz MVSZBEAMYKTFSL-BXUZGUMPSA-N 2 2 254.805 3.235 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)oc21 ZINC000665296705 419110197 /nfs/dbraw/zinc/11/01/97/419110197.db2.gz WUQMGTKXVPTORJ-RYUDHWBXSA-N 2 2 276.380 3.090 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000665298677 419110604 /nfs/dbraw/zinc/11/06/04/419110604.db2.gz ZUWAUJFCJFAINX-MLGOLLRUSA-N 2 2 271.408 3.051 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000665297537 419110752 /nfs/dbraw/zinc/11/07/52/419110752.db2.gz HUNPMDMAPJQEQL-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000665298698 419111254 /nfs/dbraw/zinc/11/12/54/419111254.db2.gz ZWKMKIPEXQYBDZ-RYUDHWBXSA-N 2 2 284.831 3.386 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848168 419118384 /nfs/dbraw/zinc/11/83/84/419118384.db2.gz GLVFTXIGCVMXEB-KURKYZTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848168 419118386 /nfs/dbraw/zinc/11/83/86/419118386.db2.gz GLVFTXIGCVMXEB-KURKYZTESA-N 2 2 288.410 3.420 20 0 CGADLP CC(C)(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000653583987 419055408 /nfs/dbraw/zinc/05/54/08/419055408.db2.gz AYUQVOBZSLRHCC-UHFFFAOYSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CS1 ZINC000655700730 419068792 /nfs/dbraw/zinc/06/87/92/419068792.db2.gz OFQPWPQCWMHBKD-CHWSQXEVSA-N 2 2 289.448 3.369 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000655707801 419072653 /nfs/dbraw/zinc/07/26/53/419072653.db2.gz DEQVKUULWJAJON-KGLIPLIRSA-N 2 2 279.453 3.147 20 0 CGADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)[nH+]1 ZINC000660096023 419075543 /nfs/dbraw/zinc/07/55/43/419075543.db2.gz VJESRUXJGPEFQW-YUELXQCFSA-N 2 2 259.397 3.025 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2cn1 ZINC000655855979 419124081 /nfs/dbraw/zinc/12/40/81/419124081.db2.gz JYRZNMTYNGGRHE-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2cn1 ZINC000655855979 419124084 /nfs/dbraw/zinc/12/40/84/419124084.db2.gz JYRZNMTYNGGRHE-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP C1=C[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474302 419150688 /nfs/dbraw/zinc/15/06/88/419150688.db2.gz HPVHNUWKSDDZSA-ZWKOTPCHSA-N 2 2 292.467 3.062 20 0 CGADLP C1=C[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474302 419150689 /nfs/dbraw/zinc/15/06/89/419150689.db2.gz HPVHNUWKSDDZSA-ZWKOTPCHSA-N 2 2 292.467 3.062 20 0 CGADLP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000656498724 419177636 /nfs/dbraw/zinc/17/76/36/419177636.db2.gz FRKPSKKHHRCECZ-LMDPOFIKSA-N 2 2 284.447 3.181 20 0 CGADLP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000656498724 419177639 /nfs/dbraw/zinc/17/76/39/419177639.db2.gz FRKPSKKHHRCECZ-LMDPOFIKSA-N 2 2 284.447 3.181 20 0 CGADLP Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000660677750 419182013 /nfs/dbraw/zinc/18/20/13/419182013.db2.gz IXFTXYBSGKNMQO-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657294882 419245249 /nfs/dbraw/zinc/24/52/49/419245249.db2.gz WGPMOFFWHAAPDR-UHFFFAOYSA-N 2 2 283.419 3.169 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H]3CCCC[C@@H]3C1)CCC2 ZINC000657297113 419245510 /nfs/dbraw/zinc/24/55/10/419245510.db2.gz LJFTYDADHRZBGW-RBSFLKMASA-N 2 2 273.424 3.278 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H]3CCCC[C@H]3C1)CCC2 ZINC000657297112 419245869 /nfs/dbraw/zinc/24/58/69/419245869.db2.gz LJFTYDADHRZBGW-QLFBSQMISA-N 2 2 273.424 3.278 20 0 CGADLP Cc1c[nH]c(CNc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC000657322428 419250421 /nfs/dbraw/zinc/25/04/21/419250421.db2.gz XUIXWQPSJMNIIQ-UHFFFAOYSA-N 2 2 284.407 3.316 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)n1C ZINC000657329847 419251668 /nfs/dbraw/zinc/25/16/68/419251668.db2.gz FUTCCXMCZARSOM-UHFFFAOYSA-N 2 2 287.407 3.196 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000657366282 419261136 /nfs/dbraw/zinc/26/11/36/419261136.db2.gz KOXWMIMRMMIZTD-UHFFFAOYSA-N 2 2 283.419 3.188 20 0 CGADLP CC(C)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852894 419203787 /nfs/dbraw/zinc/20/37/87/419203787.db2.gz KTIRYATYJRGDRY-UHFFFAOYSA-N 2 2 271.408 3.473 20 0 CGADLP C[N@H+](Cc1cnc(-c2cccs2)s1)CC(C)(C)[NH3+] ZINC000656782533 419218712 /nfs/dbraw/zinc/21/87/12/419218712.db2.gz HCAOOBFIZCHKHE-UHFFFAOYSA-N 2 2 281.450 3.041 20 0 CGADLP C[N@@H+](Cc1cnc(-c2cccs2)s1)CC(C)(C)[NH3+] ZINC000656782533 419218714 /nfs/dbraw/zinc/21/87/14/419218714.db2.gz HCAOOBFIZCHKHE-UHFFFAOYSA-N 2 2 281.450 3.041 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCC(C)(C)F)n1-c1ccccc1 ZINC000657644935 419318195 /nfs/dbraw/zinc/31/81/95/419318195.db2.gz HHCSJZSXZZAVPZ-UHFFFAOYSA-N 2 2 275.371 3.409 20 0 CGADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657456950 419283601 /nfs/dbraw/zinc/28/36/01/419283601.db2.gz CKOZNKAMNGXUFI-GDBMZVCRSA-N 2 2 299.393 3.394 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657467027 419285095 /nfs/dbraw/zinc/28/50/95/419285095.db2.gz VIHHXCVIQJWZEB-KRWDZBQOSA-N 2 2 281.403 3.305 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657523089 419297671 /nfs/dbraw/zinc/29/76/71/419297671.db2.gz DFOHAVFTZKZCQE-AWFCHZOYSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657523089 419297673 /nfs/dbraw/zinc/29/76/73/419297673.db2.gz DFOHAVFTZKZCQE-AWFCHZOYSA-N 2 2 276.399 3.301 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000657523430 419298110 /nfs/dbraw/zinc/29/81/10/419298110.db2.gz ICBLWJCHRDSPTB-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC000657523430 419298112 /nfs/dbraw/zinc/29/81/12/419298112.db2.gz ICBLWJCHRDSPTB-MRXNPFEDSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)[nH]c2c1 ZINC000657527721 419299071 /nfs/dbraw/zinc/29/90/71/419299071.db2.gz YCNSFBHQQUXEOG-INIZCTEOSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)[nH]c2c1 ZINC000657527721 419299072 /nfs/dbraw/zinc/29/90/72/419299072.db2.gz YCNSFBHQQUXEOG-INIZCTEOSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561854 419304614 /nfs/dbraw/zinc/30/46/14/419304614.db2.gz CXTMZUPKYIXSBQ-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561854 419304617 /nfs/dbraw/zinc/30/46/17/419304617.db2.gz CXTMZUPKYIXSBQ-DOTOQJQBSA-N 2 2 274.452 3.388 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562399 419306268 /nfs/dbraw/zinc/30/62/68/419306268.db2.gz HUGVJCCEWCDXEW-XJKSGUPXSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000657562399 419306270 /nfs/dbraw/zinc/30/62/70/419306270.db2.gz HUGVJCCEWCDXEW-XJKSGUPXSA-N 2 2 278.415 3.392 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000657741430 419334863 /nfs/dbraw/zinc/33/48/63/419334863.db2.gz DJFGTQFQQZATAB-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000657741430 419334866 /nfs/dbraw/zinc/33/48/66/419334866.db2.gz DJFGTQFQQZATAB-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783245 419347500 /nfs/dbraw/zinc/34/75/00/419347500.db2.gz SVDXTDZBQZKFKM-LPHOPBHVSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000657783245 419347503 /nfs/dbraw/zinc/34/75/03/419347503.db2.gz SVDXTDZBQZKFKM-LPHOPBHVSA-N 2 2 298.430 3.322 20 0 CGADLP COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000662264221 419377312 /nfs/dbraw/zinc/37/73/12/419377312.db2.gz GNSOEORLPNTVMB-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000662264221 419377318 /nfs/dbraw/zinc/37/73/18/419377318.db2.gz GNSOEORLPNTVMB-PBWFPOADSA-N 2 2 294.826 3.063 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657836509 419380443 /nfs/dbraw/zinc/38/04/43/419380443.db2.gz VSFPFQSQOUOMHR-VYDXJSESSA-N 2 2 287.451 3.176 20 0 CGADLP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897380 419423492 /nfs/dbraw/zinc/42/34/92/419423492.db2.gz SZUBFGQEJMBTIN-GOEBONIOSA-N 2 2 297.402 3.235 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058148 419529884 /nfs/dbraw/zinc/52/98/84/419529884.db2.gz DCIMLBSQAQUMRV-HOTGVXAUSA-N 2 2 275.440 3.385 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058148 419529896 /nfs/dbraw/zinc/52/98/96/419529896.db2.gz DCIMLBSQAQUMRV-HOTGVXAUSA-N 2 2 275.440 3.385 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000658059373 419530617 /nfs/dbraw/zinc/53/06/17/419530617.db2.gz ICWRDGZIDUGUAN-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000658059373 419530621 /nfs/dbraw/zinc/53/06/21/419530621.db2.gz ICWRDGZIDUGUAN-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP COC1CC(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658059428 419532408 /nfs/dbraw/zinc/53/24/08/419532408.db2.gz JIKFLXQJKIYCPI-KSTDHSDQSA-N 2 2 299.418 3.338 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000658089507 419559941 /nfs/dbraw/zinc/55/99/41/419559941.db2.gz VVYIQZSEFZNZHU-GRDNDAEWSA-N 2 2 290.426 3.280 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000658089507 419559949 /nfs/dbraw/zinc/55/99/49/419559949.db2.gz VVYIQZSEFZNZHU-GRDNDAEWSA-N 2 2 290.426 3.280 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)n1C ZINC000663341667 419560978 /nfs/dbraw/zinc/56/09/78/419560978.db2.gz PYMQARAZWUEEDX-QGZVFWFLSA-N 2 2 269.392 3.144 20 0 CGADLP C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186322256 287556952 /nfs/dbraw/zinc/55/69/52/287556952.db2.gz MVNVXDMYCKJDTM-QRWLVFNGSA-N 2 2 294.442 3.435 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093176 419570778 /nfs/dbraw/zinc/57/07/78/419570778.db2.gz TYMSJDDTUVTKPI-CJNGLKHVSA-N 2 2 288.435 3.145 20 0 CGADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093176 419570784 /nfs/dbraw/zinc/57/07/84/419570784.db2.gz TYMSJDDTUVTKPI-CJNGLKHVSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095816 419574230 /nfs/dbraw/zinc/57/42/30/419574230.db2.gz MMVMBFXLUXJNCA-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095816 419574239 /nfs/dbraw/zinc/57/42/39/419574239.db2.gz MMVMBFXLUXJNCA-MNOVXSKESA-N 2 2 266.351 3.180 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000658096485 419575208 /nfs/dbraw/zinc/57/52/08/419575208.db2.gz QJWQMPROVBBIMN-IAGOWNOFSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000658096485 419575215 /nfs/dbraw/zinc/57/52/15/419575215.db2.gz QJWQMPROVBBIMN-IAGOWNOFSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)C[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663373265 419579904 /nfs/dbraw/zinc/57/99/04/419579904.db2.gz JZOIVFQWNOCYRI-UHFFFAOYSA-N 2 2 298.434 3.349 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000663510466 419640068 /nfs/dbraw/zinc/64/00/68/419640068.db2.gz QJFXMZSQHPFWOG-CQSZACIVSA-N 2 2 284.403 3.060 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1F ZINC000658166651 419630984 /nfs/dbraw/zinc/63/09/84/419630984.db2.gz KIYMSKBZGDWZCY-KCXAZCMYSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1F ZINC000658166651 419630991 /nfs/dbraw/zinc/63/09/91/419630991.db2.gz KIYMSKBZGDWZCY-KCXAZCMYSA-N 2 2 264.388 3.063 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)C1 ZINC000658286194 419731559 /nfs/dbraw/zinc/73/15/59/419731559.db2.gz QCGMRQCLUXITPH-BZZMCLGOSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)C1 ZINC000658286194 419731568 /nfs/dbraw/zinc/73/15/68/419731568.db2.gz QCGMRQCLUXITPH-BZZMCLGOSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000658288788 419739175 /nfs/dbraw/zinc/73/91/75/419739175.db2.gz ZSDNXSWTMIIHKV-UXLLHSPISA-N 2 2 290.451 3.261 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000658288788 419739179 /nfs/dbraw/zinc/73/91/79/419739179.db2.gz ZSDNXSWTMIIHKV-UXLLHSPISA-N 2 2 290.451 3.261 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295795 419745365 /nfs/dbraw/zinc/74/53/65/419745365.db2.gz ONLRPRZNPDSMHJ-MVJTYMMSSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000154861682 287621824 /nfs/dbraw/zinc/62/18/24/287621824.db2.gz QLUFWWOUACZBKH-WMLDXEAASA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1C ZINC000390574516 262221878 /nfs/dbraw/zinc/22/18/78/262221878.db2.gz CNULZMFURNWJLO-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1C ZINC000390574516 262221880 /nfs/dbraw/zinc/22/18/80/262221880.db2.gz CNULZMFURNWJLO-FZCLSBEQSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000290483018 263117157 /nfs/dbraw/zinc/11/71/57/263117157.db2.gz VLXLOJVZEIPEOP-APWZRJJASA-N 2 2 298.430 3.424 20 0 CGADLP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000037240828 270029451 /nfs/dbraw/zinc/02/94/51/270029451.db2.gz AAPZGBVNZWGANN-NVXWUHKLSA-N 2 2 292.467 3.192 20 0 CGADLP CC(C)Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064011 270030131 /nfs/dbraw/zinc/03/01/31/270030131.db2.gz OZXDAXAFIWZNJE-HNNXBMFYSA-N 2 2 271.408 3.432 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000045105610 270038061 /nfs/dbraw/zinc/03/80/61/270038061.db2.gz YGJPKOYABSEAOK-QGZVFWFLSA-N 2 2 269.392 3.331 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000519766726 265599432 /nfs/dbraw/zinc/59/94/32/265599432.db2.gz YKGSHHOPSUUAFU-LLVKDONJSA-N 2 2 256.340 3.004 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000321766483 270093290 /nfs/dbraw/zinc/09/32/90/270093290.db2.gz DPHCKZRSZSFQFI-MXSMSXNCSA-N 2 2 272.436 3.458 20 0 CGADLP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]CC[NH+]1CCCCC1 ZINC000316904608 270092889 /nfs/dbraw/zinc/09/28/89/270092889.db2.gz ZSBMRFVHCURVQU-YOFSQIOKSA-N 2 2 298.474 3.256 20 0 CGADLP c1cn(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000519633612 270097791 /nfs/dbraw/zinc/09/77/91/270097791.db2.gz SGDRBVTVHZYGRT-IRXDYDNUSA-N 2 2 269.392 3.057 20 0 CGADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccn1 ZINC000527541077 270130071 /nfs/dbraw/zinc/13/00/71/270130071.db2.gz ZEBHVZNRHFSFHV-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527853976 270139881 /nfs/dbraw/zinc/13/98/81/270139881.db2.gz VOMWYMXMVVVFQG-CGTJXYLNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527853976 270139882 /nfs/dbraw/zinc/13/98/82/270139882.db2.gz VOMWYMXMVVVFQG-CGTJXYLNSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000527952475 270146422 /nfs/dbraw/zinc/14/64/22/270146422.db2.gz TWQVJFOPDONZQC-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)[C@H]1C ZINC000527952475 270146423 /nfs/dbraw/zinc/14/64/23/270146423.db2.gz TWQVJFOPDONZQC-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527950754 270146582 /nfs/dbraw/zinc/14/65/82/270146582.db2.gz PDJIEYRTPQJARC-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527950754 270146583 /nfs/dbraw/zinc/14/65/83/270146583.db2.gz PDJIEYRTPQJARC-DOTOQJQBSA-N 2 2 282.472 3.044 20 0 CGADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954153 270146691 /nfs/dbraw/zinc/14/66/91/270146691.db2.gz YTVYZROEWWQBTA-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954153 270146692 /nfs/dbraw/zinc/14/66/92/270146692.db2.gz YTVYZROEWWQBTA-HZPDHXFCSA-N 2 2 262.441 3.316 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccncc1 ZINC000527997925 270149266 /nfs/dbraw/zinc/14/92/66/270149266.db2.gz BZCYNDHUTYZERE-IAGOWNOFSA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccncc1 ZINC000527997925 270149267 /nfs/dbraw/zinc/14/92/67/270149267.db2.gz BZCYNDHUTYZERE-IAGOWNOFSA-N 2 2 273.424 3.139 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002382 270150261 /nfs/dbraw/zinc/15/02/61/270150261.db2.gz QBOHZDDNDLTBHL-RHSMWYFYSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002382 270150262 /nfs/dbraw/zinc/15/02/62/270150262.db2.gz QBOHZDDNDLTBHL-RHSMWYFYSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccsc1 ZINC000528008633 270151244 /nfs/dbraw/zinc/15/12/44/270151244.db2.gz FXOPMVCZTSEHGR-WFASDCNBSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccsc1 ZINC000528008633 270151245 /nfs/dbraw/zinc/15/12/45/270151245.db2.gz FXOPMVCZTSEHGR-WFASDCNBSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012046 270151281 /nfs/dbraw/zinc/15/12/81/270151281.db2.gz NQACVEHSXNPEJY-SUMWQHHRSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000528012046 270151282 /nfs/dbraw/zinc/15/12/82/270151282.db2.gz NQACVEHSXNPEJY-SUMWQHHRSA-N 2 2 276.399 3.493 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528010283 270151310 /nfs/dbraw/zinc/15/13/10/270151310.db2.gz JPLDKDGYMVMWBM-PBHICJAKSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528010283 270151311 /nfs/dbraw/zinc/15/13/11/270151311.db2.gz JPLDKDGYMVMWBM-PBHICJAKSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000528015824 270151440 /nfs/dbraw/zinc/15/14/40/270151440.db2.gz ZCNLSYFDTGZHBS-WMLDXEAASA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000528015824 270151441 /nfs/dbraw/zinc/15/14/41/270151441.db2.gz ZCNLSYFDTGZHBS-WMLDXEAASA-N 2 2 258.409 3.354 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(C)n1 ZINC000528013717 270151509 /nfs/dbraw/zinc/15/15/09/270151509.db2.gz TVGDCGZSKMAWNK-YOEHRIQHSA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(C)n1 ZINC000528013717 270151510 /nfs/dbraw/zinc/15/15/10/270151510.db2.gz TVGDCGZSKMAWNK-YOEHRIQHSA-N 2 2 287.451 3.366 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528015911 270151513 /nfs/dbraw/zinc/15/15/13/270151513.db2.gz ZZMMPAFHJOLAFK-HOTGVXAUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528015911 270151514 /nfs/dbraw/zinc/15/15/14/270151514.db2.gz ZZMMPAFHJOLAFK-HOTGVXAUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529556252 270184693 /nfs/dbraw/zinc/18/46/93/270184693.db2.gz RNMLITFPYFQGSF-LBPRGKRZSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529556252 270184694 /nfs/dbraw/zinc/18/46/94/270184694.db2.gz RNMLITFPYFQGSF-LBPRGKRZSA-N 2 2 274.399 3.132 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000529638196 270186702 /nfs/dbraw/zinc/18/67/02/270186702.db2.gz HZRWKGDYCBJDLN-INMHGKMJSA-N 2 2 258.409 3.348 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1csc(Cl)c1 ZINC000530215692 270195713 /nfs/dbraw/zinc/19/57/13/270195713.db2.gz HZKNXXXBLSZGOH-MWLCHTKSSA-N 2 2 270.829 3.337 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2n1 ZINC000530220332 270196044 /nfs/dbraw/zinc/19/60/44/270196044.db2.gz NOUSOKFAHQVMDX-GUYCJALGSA-N 2 2 281.403 3.170 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530217661 270196215 /nfs/dbraw/zinc/19/62/15/270196215.db2.gz GVZPZCGARSXEKB-ZBFHGGJFSA-N 2 2 258.409 3.239 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530219310 270196266 /nfs/dbraw/zinc/19/62/66/270196266.db2.gz LHHNQSAHFACIGQ-KBRIMQKVSA-N 2 2 270.420 3.499 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530219649 270196270 /nfs/dbraw/zinc/19/62/70/270196270.db2.gz MIECCFZGBXMWRK-RISCZKNCSA-N 2 2 264.800 3.275 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530218960 270196277 /nfs/dbraw/zinc/19/62/77/270196277.db2.gz KGFZBNVWZLZXQN-RDJZCZTQSA-N 2 2 286.419 3.083 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530218359 270196355 /nfs/dbraw/zinc/19/63/55/270196355.db2.gz VYQKBBRKHXPLCH-PBHICJAKSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000531738586 270209147 /nfs/dbraw/zinc/20/91/47/270209147.db2.gz DGTQUUYLUSCDSJ-NYTXWWLZSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000531738586 270209148 /nfs/dbraw/zinc/20/91/48/270209148.db2.gz DGTQUUYLUSCDSJ-NYTXWWLZSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000531966809 270211783 /nfs/dbraw/zinc/21/17/83/270211783.db2.gz FDNFTUJRKNFJGR-BHYGNILZSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000531966809 270211784 /nfs/dbraw/zinc/21/17/84/270211784.db2.gz FDNFTUJRKNFJGR-BHYGNILZSA-N 2 2 260.425 3.232 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531969604 270211889 /nfs/dbraw/zinc/21/18/89/270211889.db2.gz HUAAMZFARFLTMH-NFAWXSAZSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531969604 270211890 /nfs/dbraw/zinc/21/18/90/270211890.db2.gz HUAAMZFARFLTMH-NFAWXSAZSA-N 2 2 252.446 3.274 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531983627 270212318 /nfs/dbraw/zinc/21/23/18/270212318.db2.gz HJCNYADAPUEFDB-KBXCAEBGSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531983627 270212319 /nfs/dbraw/zinc/21/23/19/270212319.db2.gz HJCNYADAPUEFDB-KBXCAEBGSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000531989492 270212390 /nfs/dbraw/zinc/21/23/90/270212390.db2.gz YFYMLSHBGDIEPN-XWIAVFTESA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000531989492 270212391 /nfs/dbraw/zinc/21/23/91/270212391.db2.gz YFYMLSHBGDIEPN-XWIAVFTESA-N 2 2 270.420 3.210 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000531983855 270212505 /nfs/dbraw/zinc/21/25/05/270212505.db2.gz CBAAGRVYTMVBGT-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000531983855 270212506 /nfs/dbraw/zinc/21/25/06/270212506.db2.gz CBAAGRVYTMVBGT-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984637 270212533 /nfs/dbraw/zinc/21/25/33/270212533.db2.gz JASGCMMTSXTBLK-CRAIPNDOSA-N 2 2 292.442 3.324 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984637 270212534 /nfs/dbraw/zinc/21/25/34/270212534.db2.gz JASGCMMTSXTBLK-CRAIPNDOSA-N 2 2 292.442 3.324 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CCOCC1 ZINC000532231603 270214526 /nfs/dbraw/zinc/21/45/26/270214526.db2.gz WACGHIIHJYCQAT-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CCOCC1 ZINC000532231603 270214527 /nfs/dbraw/zinc/21/45/27/270214527.db2.gz WACGHIIHJYCQAT-UXLLHSPISA-N 2 2 282.472 3.044 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532530291 270216936 /nfs/dbraw/zinc/21/69/36/270216936.db2.gz WEMKXCUIXCNCKK-LSDHHAIUSA-N 2 2 260.425 3.241 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532530291 270216937 /nfs/dbraw/zinc/21/69/37/270216937.db2.gz WEMKXCUIXCNCKK-LSDHHAIUSA-N 2 2 260.425 3.241 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532501113 270216667 /nfs/dbraw/zinc/21/66/67/270216667.db2.gz HHEFJYQMXLAGHC-SQWLQELKSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532501113 270216668 /nfs/dbraw/zinc/21/66/68/270216668.db2.gz HHEFJYQMXLAGHC-SQWLQELKSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1F ZINC000423380333 277760970 /nfs/dbraw/zinc/76/09/70/277760970.db2.gz YKUSFMUWTORGCM-TVQRCGJNSA-N 2 2 258.768 3.113 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000237013377 287654301 /nfs/dbraw/zinc/65/43/01/287654301.db2.gz LCKYIDRMGPAUPC-QZTJIDSGSA-N 2 2 272.436 3.105 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000225992199 273498361 /nfs/dbraw/zinc/49/83/61/273498361.db2.gz HHWJOPOCFBLYQG-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nccc2ccccc21 ZINC000377798704 274259523 /nfs/dbraw/zinc/25/95/23/274259523.db2.gz LSOPGXQUQREHQO-TZMCWYRMSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1nccc2ccccc21 ZINC000377798704 274259525 /nfs/dbraw/zinc/25/95/25/274259525.db2.gz LSOPGXQUQREHQO-TZMCWYRMSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000348276263 274481212 /nfs/dbraw/zinc/48/12/12/274481212.db2.gz DPJBZLZPWLCMKD-DYVFJYSZSA-N 2 2 276.399 3.301 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCn1cc[nH+]c1 ZINC000280954877 274764840 /nfs/dbraw/zinc/76/48/40/274764840.db2.gz JCSBHUJRMBRXCN-QGZVFWFLSA-N 2 2 294.402 3.340 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000281204604 274814074 /nfs/dbraw/zinc/81/40/74/274814074.db2.gz KLDJRHAUFVKGHK-IRXDYDNUSA-N 2 2 287.451 3.102 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2COc3c2cccc3Cl)CC1 ZINC000378397280 275627072 /nfs/dbraw/zinc/62/70/72/275627072.db2.gz CKNHHZIMMYQYBQ-HNNXBMFYSA-N 2 2 294.826 3.236 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000353985442 276012162 /nfs/dbraw/zinc/01/21/62/276012162.db2.gz CGMNPDRRIKXIRV-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000353985442 276012163 /nfs/dbraw/zinc/01/21/63/276012163.db2.gz CGMNPDRRIKXIRV-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000515203584 276115602 /nfs/dbraw/zinc/11/56/02/276115602.db2.gz PTCDFJWLDCDVIQ-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000515203584 276115603 /nfs/dbraw/zinc/11/56/03/276115603.db2.gz PTCDFJWLDCDVIQ-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000423243846 276266921 /nfs/dbraw/zinc/26/69/21/276266921.db2.gz KNOAVURNLPUKEP-GWCFXTLKSA-N 2 2 297.240 3.197 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000414850075 276266977 /nfs/dbraw/zinc/26/69/77/276266977.db2.gz SAWUYCMRGDQGCY-SNVBAGLBSA-N 2 2 275.223 3.124 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccncc1 ZINC000453115182 276437280 /nfs/dbraw/zinc/43/72/80/276437280.db2.gz HURWZAHKKYUIMC-HZPDHXFCSA-N 2 2 284.407 3.205 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427894115 276574343 /nfs/dbraw/zinc/57/43/43/276574343.db2.gz KHPXKYJNIWFANZ-SJORKVTESA-N 2 2 283.419 3.117 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000154626880 277064622 /nfs/dbraw/zinc/06/46/22/277064622.db2.gz VQHSFAIFWGVYGZ-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000154626880 277064623 /nfs/dbraw/zinc/06/46/23/277064623.db2.gz VQHSFAIFWGVYGZ-UKRRQHHQSA-N 2 2 264.800 3.011 20 0 CGADLP C[NH2+]CC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423226210 277272901 /nfs/dbraw/zinc/27/29/01/277272901.db2.gz PTKZMZHIFCNUEG-ZDUSSCGKSA-N 2 2 260.406 3.088 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(C)c2c1 ZINC000423451444 277450811 /nfs/dbraw/zinc/45/08/11/277450811.db2.gz VBTUZJPEJFDHOU-TUAOUCFPSA-N 2 2 276.380 3.136 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000395414548 288009078 /nfs/dbraw/zinc/00/90/78/288009078.db2.gz WVWFVBHDRGFDIW-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000395414548 288009080 /nfs/dbraw/zinc/00/90/80/288009080.db2.gz WVWFVBHDRGFDIW-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP C[C@H](CCC1CCCCC1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422748592 278168050 /nfs/dbraw/zinc/16/80/50/278168050.db2.gz VFINKHYJHXSLPX-VYDXJSESSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348536516 278258818 /nfs/dbraw/zinc/25/88/18/278258818.db2.gz SGNQNSRGWUIYJO-MPGHIAIKSA-N 2 2 288.435 3.015 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397691080 288027337 /nfs/dbraw/zinc/02/73/37/288027337.db2.gz ZXHGMQISBDZWME-HNKHHVNMSA-N 2 2 267.376 3.321 20 0 CGADLP C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422992110 278280080 /nfs/dbraw/zinc/28/00/80/278280080.db2.gz QRMIBFFSLVBMNG-MAZHCROVSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000397876589 288033476 /nfs/dbraw/zinc/03/34/76/288033476.db2.gz IFBWDBOLNMAGCN-LLVKDONJSA-N 2 2 286.341 3.450 20 0 CGADLP CC(C)(C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373495122 278327229 /nfs/dbraw/zinc/32/72/29/278327229.db2.gz MLAJZIXCWFSKIN-UHFFFAOYSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397926751 288035023 /nfs/dbraw/zinc/03/50/23/288035023.db2.gz OJUZKRCMIMABPQ-BBRMVZONSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152792365 278489676 /nfs/dbraw/zinc/48/96/76/278489676.db2.gz PXFJAOVALXFARV-ZIAGYGMSSA-N 2 2 275.440 3.176 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000336812801 278497979 /nfs/dbraw/zinc/49/79/79/278497979.db2.gz SHJNRUQFJCNZLE-YOEHRIQHSA-N 2 2 258.409 3.310 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000361824284 278619379 /nfs/dbraw/zinc/61/93/79/278619379.db2.gz BPCAPPPWIXGOMQ-GJZGRUSLSA-N 2 2 269.392 3.269 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423054330 288063054 /nfs/dbraw/zinc/06/30/54/288063054.db2.gz UKVXBLFUSXXKOL-MLGOLLRUSA-N 2 2 272.392 3.361 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000414952095 278841558 /nfs/dbraw/zinc/84/15/58/278841558.db2.gz IBGMSOFRLUVNMF-NOZJJQNGSA-N 2 2 273.207 3.081 20 0 CGADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423276245 288084778 /nfs/dbraw/zinc/08/47/78/288084778.db2.gz MVRGMQMQKMHCJF-QWHCGFSZSA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423543025 288087754 /nfs/dbraw/zinc/08/77/54/288087754.db2.gz BNSDXNHUAUNDSP-JSGCOSHPSA-N 2 2 298.377 3.471 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459366056 279012410 /nfs/dbraw/zinc/01/24/10/279012410.db2.gz CSVGHFQOAIKEJY-OLZOCXBDSA-N 2 2 287.382 3.110 20 0 CGADLP C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459366056 279012412 /nfs/dbraw/zinc/01/24/12/279012412.db2.gz CSVGHFQOAIKEJY-OLZOCXBDSA-N 2 2 287.382 3.110 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459514941 288095489 /nfs/dbraw/zinc/09/54/89/288095489.db2.gz DAACQUXCXTUJGD-KGLIPLIRSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459514941 288095492 /nfs/dbraw/zinc/09/54/92/288095492.db2.gz DAACQUXCXTUJGD-KGLIPLIRSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453144188 288132946 /nfs/dbraw/zinc/13/29/46/288132946.db2.gz QEUAMHZROSFMGK-CSMYWGQOSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453144188 288132947 /nfs/dbraw/zinc/13/29/47/288132947.db2.gz QEUAMHZROSFMGK-CSMYWGQOSA-N 2 2 262.441 3.028 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C12CCC2 ZINC000344113810 279816116 /nfs/dbraw/zinc/81/61/16/279816116.db2.gz MTZRKHOIJGHKCU-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000427702020 280270436 /nfs/dbraw/zinc/27/04/36/280270436.db2.gz POXAZMBEZHPWSX-ZYSHUDEJSA-N 2 2 286.463 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000427702020 280270439 /nfs/dbraw/zinc/27/04/39/280270439.db2.gz POXAZMBEZHPWSX-ZYSHUDEJSA-N 2 2 286.463 3.326 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422918159 280940422 /nfs/dbraw/zinc/94/04/22/280940422.db2.gz GTCQRWGLBLZAHC-GVDBMIGSSA-N 2 2 294.414 3.024 20 0 CGADLP c1cn(Cc2c[nH+]cn2Cc2ccccc2)c(C2CC2)[nH+]1 ZINC000530129286 288288120 /nfs/dbraw/zinc/28/81/20/288288120.db2.gz KBMUQJXFQDNXHX-UHFFFAOYSA-N 2 2 278.359 3.054 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCO2 ZINC000353624379 281096626 /nfs/dbraw/zinc/09/66/26/281096626.db2.gz PWCBBHMBHQVAPL-HIFRSBDPSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCCO2 ZINC000353624379 281096629 /nfs/dbraw/zinc/09/66/29/281096629.db2.gz PWCBBHMBHQVAPL-HIFRSBDPSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000358087920 281124502 /nfs/dbraw/zinc/12/45/02/281124502.db2.gz QNPJFUGXQLMUOA-FSPWUOQZSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CC2 ZINC000358087920 281124504 /nfs/dbraw/zinc/12/45/04/281124504.db2.gz QNPJFUGXQLMUOA-FSPWUOQZSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422953024 281134763 /nfs/dbraw/zinc/13/47/63/281134763.db2.gz DTSLWPKGDFJHEM-BZSNNMDCSA-N 2 2 294.398 3.471 20 0 CGADLP c1nc(-c2ccccc2)sc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177811 288295209 /nfs/dbraw/zinc/29/52/09/288295209.db2.gz HYTJXAPHPLGOFK-OAHLLOKOSA-N 2 2 299.443 3.184 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530213634 288300849 /nfs/dbraw/zinc/30/08/49/288300849.db2.gz BCKIYHVOQRIAQJ-HZPDHXFCSA-N 2 2 274.383 3.077 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530179490 288296480 /nfs/dbraw/zinc/29/64/80/288296480.db2.gz YQCFRLHUEQLPBN-SFHVURJKSA-N 2 2 296.414 3.223 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000531728193 288343687 /nfs/dbraw/zinc/34/36/87/288343687.db2.gz DVOVCGSXASSIFZ-CRAIPNDOSA-N 2 2 290.451 3.468 20 0 CGADLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000531728193 288343690 /nfs/dbraw/zinc/34/36/90/288343690.db2.gz DVOVCGSXASSIFZ-CRAIPNDOSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532474852 288363657 /nfs/dbraw/zinc/36/36/57/288363657.db2.gz OZSQTQXEIHONHX-HGYYMRRCSA-N 2 2 276.424 3.221 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)o1 ZINC000532474852 288363658 /nfs/dbraw/zinc/36/36/58/288363658.db2.gz OZSQTQXEIHONHX-HGYYMRRCSA-N 2 2 276.424 3.221 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000532479889 288364302 /nfs/dbraw/zinc/36/43/02/288364302.db2.gz ZMPXQHBEBILXEM-CYBMUJFWSA-N 2 2 290.436 3.095 20 0 CGADLP CC1=CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000550885594 289088657 /nfs/dbraw/zinc/08/86/57/289088657.db2.gz HHSMSCPXXHBIIZ-MRXNPFEDSA-N 2 2 267.376 3.461 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000551010234 289095121 /nfs/dbraw/zinc/09/51/21/289095121.db2.gz YIWWREVACUMVDW-MJGOQNOKSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000551010234 289095122 /nfs/dbraw/zinc/09/51/22/289095122.db2.gz YIWWREVACUMVDW-MJGOQNOKSA-N 2 2 295.430 3.315 20 0 CGADLP CCC(CC)C[NH2+][C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000551602456 289125207 /nfs/dbraw/zinc/12/52/07/289125207.db2.gz QENZQJKEGFMGQW-QGZVFWFLSA-N 2 2 278.440 3.324 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000554093130 289258266 /nfs/dbraw/zinc/25/82/66/289258266.db2.gz VOZNMIMVOXVEQC-WHOHXGKFSA-N 2 2 286.872 3.433 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554348692 289273088 /nfs/dbraw/zinc/27/30/88/289273088.db2.gz DFRRUOIHDPPSEU-CABCVRRESA-N 2 2 252.446 3.133 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc3ncccc3c1)CCCC2 ZINC000560071514 289569549 /nfs/dbraw/zinc/56/95/49/289569549.db2.gz HAQLNLOHGHWLDX-UHFFFAOYSA-N 2 2 292.386 3.057 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000561778718 289654799 /nfs/dbraw/zinc/65/47/99/289654799.db2.gz VWICPIRFBHNOAC-KKUMJFAQSA-N 2 2 272.502 3.228 20 0 CGADLP CC(C)(C)C1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000562687242 289726258 /nfs/dbraw/zinc/72/62/58/289726258.db2.gz IJPFFHOXYPJKLK-UHFFFAOYSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102007 290258110 /nfs/dbraw/zinc/25/81/10/290258110.db2.gz MHZQYHAMFVJPHD-YDHLFZDLSA-N 2 2 269.392 3.049 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368102007 290258114 /nfs/dbraw/zinc/25/81/14/290258114.db2.gz MHZQYHAMFVJPHD-YDHLFZDLSA-N 2 2 269.392 3.049 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344010030 293092184 /nfs/dbraw/zinc/09/21/84/293092184.db2.gz ZXOMEDBVKVKHPL-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344010030 293092187 /nfs/dbraw/zinc/09/21/87/293092187.db2.gz ZXOMEDBVKVKHPL-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C2CC2)ccc1F ZINC000423009061 301409638 /nfs/dbraw/zinc/40/96/38/301409638.db2.gz BVEIACVPGPDJST-JLZZUVOBSA-N 2 2 276.399 3.315 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423354074 301655148 /nfs/dbraw/zinc/65/51/48/301655148.db2.gz CMVVEXUTRXXPMQ-MBNYWOFBSA-N 2 2 298.377 3.245 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000495019190 302197904 /nfs/dbraw/zinc/19/79/04/302197904.db2.gz RDQCTVKKYNRQRG-QGZVFWFLSA-N 2 2 260.425 3.378 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423185419 303118722 /nfs/dbraw/zinc/11/87/22/303118722.db2.gz JHWWXVISHRDFKA-GJZGRUSLSA-N 2 2 298.352 3.498 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000580270911 327753807 /nfs/dbraw/zinc/75/38/07/327753807.db2.gz QHCGIMQYEAGIML-QGZVFWFLSA-N 2 2 274.452 3.329 20 0 CGADLP COc1cc(C)[nH+]c(CNc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414813258 533700693 /nfs/dbraw/zinc/70/06/93/533700693.db2.gz QMYSYVAGDBGBGV-GFCCVEGCSA-N 2 2 271.364 3.030 20 0 CGADLP CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000388268060 327863512 /nfs/dbraw/zinc/86/35/12/327863512.db2.gz GAUPJCVXGRHYTO-LBTNJELSSA-N 2 2 299.418 3.336 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000563419433 321996404 /nfs/dbraw/zinc/99/64/04/321996404.db2.gz VBXDAMYTGUDYSQ-UHFFFAOYSA-N 2 2 290.304 3.027 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000563429647 321997536 /nfs/dbraw/zinc/99/75/36/321997536.db2.gz ARXBWDZJSCLXHP-CQSZACIVSA-N 2 2 282.378 3.492 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563447587 321999301 /nfs/dbraw/zinc/99/93/01/321999301.db2.gz DZYWDSPSARSFGF-GHMZBOCLSA-N 2 2 267.442 3.016 20 0 CGADLP Fc1cc(C[NH2+]CCC[NH+]2CCC2)cc(C(F)(F)F)c1 ZINC000563635421 322005099 /nfs/dbraw/zinc/00/50/99/322005099.db2.gz HFUPBJNFNNPZIJ-UHFFFAOYSA-N 2 2 290.304 3.030 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000563804420 322010819 /nfs/dbraw/zinc/01/08/19/322010819.db2.gz FBHHFLVNQKHMJA-UQOMUDLDSA-N 2 2 262.397 3.153 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000564894018 322048120 /nfs/dbraw/zinc/04/81/20/322048120.db2.gz RUEKKOKZAHZDFO-ZDUSSCGKSA-N 2 2 296.349 3.481 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159545 322063531 /nfs/dbraw/zinc/06/35/31/322063531.db2.gz ZMKARLAUSIDKLN-CHWSQXEVSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000565159545 322063532 /nfs/dbraw/zinc/06/35/32/322063532.db2.gz ZMKARLAUSIDKLN-CHWSQXEVSA-N 2 2 283.366 3.035 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566230317 322110373 /nfs/dbraw/zinc/11/03/73/322110373.db2.gz BOIXIRJOTYJFGM-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566230317 322110374 /nfs/dbraw/zinc/11/03/74/322110374.db2.gz BOIXIRJOTYJFGM-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)n1C ZINC000566866536 322141832 /nfs/dbraw/zinc/14/18/32/322141832.db2.gz OFLMJSUKJAEDQF-MRXNPFEDSA-N 2 2 273.355 3.035 20 0 CGADLP C[C@@H](CC[NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000567321369 322158461 /nfs/dbraw/zinc/15/84/61/322158461.db2.gz QJRQOSNOPNDNQZ-DOTOQJQBSA-N 2 2 292.492 3.207 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000567488592 322165838 /nfs/dbraw/zinc/16/58/38/322165838.db2.gz YLDHPTBFLSFGEL-HNNXBMFYSA-N 2 2 291.826 3.493 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000567767009 322177163 /nfs/dbraw/zinc/17/71/63/322177163.db2.gz OSGMGUQNPNGKOI-GOSISDBHSA-N 2 2 283.419 3.146 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000567767009 322177165 /nfs/dbraw/zinc/17/71/65/322177165.db2.gz OSGMGUQNPNGKOI-GOSISDBHSA-N 2 2 283.419 3.146 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000567916357 322183245 /nfs/dbraw/zinc/18/32/45/322183245.db2.gz SHHDFSSLDQHQIT-KFWWJZLASA-N 2 2 250.430 3.172 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000568169455 322195848 /nfs/dbraw/zinc/19/58/48/322195848.db2.gz KJVDPIVUNVYJSF-UHFFFAOYSA-N 2 2 295.789 3.277 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000568169455 322195849 /nfs/dbraw/zinc/19/58/49/322195849.db2.gz KJVDPIVUNVYJSF-UHFFFAOYSA-N 2 2 295.789 3.277 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000569088475 322234403 /nfs/dbraw/zinc/23/44/03/322234403.db2.gz NWRHCXHPLSIGHH-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000569088475 322234405 /nfs/dbraw/zinc/23/44/05/322234405.db2.gz NWRHCXHPLSIGHH-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)n1C ZINC000569379863 322245725 /nfs/dbraw/zinc/24/57/25/322245725.db2.gz TZTAWUVAGSCXCF-UHFFFAOYSA-N 2 2 277.799 3.407 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)n1C ZINC000569504772 322249315 /nfs/dbraw/zinc/24/93/15/322249315.db2.gz XWPZHUWUMRHAAU-ZBEGNZNMSA-N 2 2 289.810 3.407 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000571208265 322292826 /nfs/dbraw/zinc/29/28/26/322292826.db2.gz MUOIWAGNUDIVIK-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000571208265 322292827 /nfs/dbraw/zinc/29/28/27/322292827.db2.gz MUOIWAGNUDIVIK-GOSISDBHSA-N 2 2 280.415 3.456 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCc1c[nH+]cn1C ZINC000571533460 322301279 /nfs/dbraw/zinc/30/12/79/322301279.db2.gz TUQALCKHSKUDTQ-IJEWVQPXSA-N 2 2 261.413 3.006 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCc1c[nH+]cn1C ZINC000571533460 322301281 /nfs/dbraw/zinc/30/12/81/322301281.db2.gz TUQALCKHSKUDTQ-IJEWVQPXSA-N 2 2 261.413 3.006 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056472 322317685 /nfs/dbraw/zinc/31/76/85/322317685.db2.gz ZZUOSVMTFODWPB-GDBMZVCRSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000572056472 322317690 /nfs/dbraw/zinc/31/76/90/322317690.db2.gz ZZUOSVMTFODWPB-GDBMZVCRSA-N 2 2 275.440 3.426 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)Cc2ccccc2)n1C ZINC000572059882 322318357 /nfs/dbraw/zinc/31/83/57/322318357.db2.gz KHOZJKVPCKYEMN-UHFFFAOYSA-N 2 2 271.408 3.087 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062975 322367917 /nfs/dbraw/zinc/36/79/17/322367917.db2.gz YYGVIIQMOUOHTE-WMLDXEAASA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062975 322367919 /nfs/dbraw/zinc/36/79/19/322367919.db2.gz YYGVIIQMOUOHTE-WMLDXEAASA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062974 322367958 /nfs/dbraw/zinc/36/79/58/322367958.db2.gz YYGVIIQMOUOHTE-RHSMWYFYSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062974 322367960 /nfs/dbraw/zinc/36/79/60/322367960.db2.gz YYGVIIQMOUOHTE-RHSMWYFYSA-N 2 2 287.451 3.070 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000584199355 327063132 /nfs/dbraw/zinc/06/31/32/327063132.db2.gz CTMYUOBVWBIOLA-GXTWGEPZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1 ZINC000584199355 327063134 /nfs/dbraw/zinc/06/31/34/327063134.db2.gz CTMYUOBVWBIOLA-GXTWGEPZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000584199355 327063135 /nfs/dbraw/zinc/06/31/35/327063135.db2.gz CTMYUOBVWBIOLA-GXTWGEPZSA-N 2 2 281.469 3.039 20 0 CGADLP CC(C)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000584199355 327063137 /nfs/dbraw/zinc/06/31/37/327063137.db2.gz CTMYUOBVWBIOLA-GXTWGEPZSA-N 2 2 281.469 3.039 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)n1C ZINC000584302527 327230556 /nfs/dbraw/zinc/23/05/56/327230556.db2.gz GKJPVIPURNQQCO-UHFFFAOYSA-N 2 2 275.783 3.161 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000582617766 329118456 /nfs/dbraw/zinc/11/84/56/329118456.db2.gz QHADMRLAJSKESL-UHFFFAOYSA-N 2 2 293.798 3.070 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000577681488 335388046 /nfs/dbraw/zinc/38/80/46/335388046.db2.gz VBFLHULBJXRJME-OEAJRASXSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000577681488 335388047 /nfs/dbraw/zinc/38/80/47/335388047.db2.gz VBFLHULBJXRJME-OEAJRASXSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000581067305 336003035 /nfs/dbraw/zinc/00/30/35/336003035.db2.gz HYHOYBRLWNJZQJ-JQWIXIFHSA-N 2 2 270.779 3.272 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381059813 336047874 /nfs/dbraw/zinc/04/78/74/336047874.db2.gz KHDQFQPOCAKBRH-XLMAVXFVSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381059813 336047875 /nfs/dbraw/zinc/04/78/75/336047875.db2.gz KHDQFQPOCAKBRH-XLMAVXFVSA-N 2 2 290.451 3.053 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000382125558 336082381 /nfs/dbraw/zinc/08/23/81/336082381.db2.gz NOIKNOQORHANBR-ZNMIVQPWSA-N 2 2 264.438 3.416 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000382125558 336082383 /nfs/dbraw/zinc/08/23/83/336082383.db2.gz NOIKNOQORHANBR-ZNMIVQPWSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000386086405 336166012 /nfs/dbraw/zinc/16/60/12/336166012.db2.gz HMXCUWASSYPCPG-RRQGHBQHSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000386086403 336166089 /nfs/dbraw/zinc/16/60/89/336166089.db2.gz HMXCUWASSYPCPG-IAOVAPTHSA-N 2 2 258.409 3.184 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386925819 336182506 /nfs/dbraw/zinc/18/25/06/336182506.db2.gz SGAUIXBGQAVAQR-HZPDHXFCSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386925819 336182507 /nfs/dbraw/zinc/18/25/07/336182507.db2.gz SGAUIXBGQAVAQR-HZPDHXFCSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449079446 533721973 /nfs/dbraw/zinc/72/19/73/533721973.db2.gz YWSNXUZEGSFOTK-CYBMUJFWSA-N 2 2 263.429 3.176 20 0 CGADLP COc1cccc2c(C[NH2+]CCCn3cc[nH+]c3)cccc12 ZINC000449065005 533835384 /nfs/dbraw/zinc/83/53/84/533835384.db2.gz RMXVRZQYGAMWSJ-UHFFFAOYSA-N 2 2 295.386 3.225 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CC1CCCCC1 ZINC000368089207 534086489 /nfs/dbraw/zinc/08/64/89/534086489.db2.gz KFRKCFQTOIBAAD-HIFRSBDPSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CC1CCCCC1 ZINC000368089207 534086497 /nfs/dbraw/zinc/08/64/97/534086497.db2.gz KFRKCFQTOIBAAD-HIFRSBDPSA-N 2 2 275.440 3.463 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000102425384 518447652 /nfs/dbraw/zinc/44/76/52/518447652.db2.gz FXZQLGFTPKZVPZ-AAGJOFLKSA-N 2 2 269.392 3.212 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414889916 534450738 /nfs/dbraw/zinc/45/07/38/534450738.db2.gz UNGWFKNQBJBROP-CYBMUJFWSA-N 2 2 276.380 3.006 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000111241283 519844135 /nfs/dbraw/zinc/84/41/35/519844135.db2.gz ONZUHTRXWWDSCT-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000111241283 519844136 /nfs/dbraw/zinc/84/41/36/519844136.db2.gz ONZUHTRXWWDSCT-UHFFFAOYSA-N 2 2 282.378 3.271 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc2c1 ZINC000423273818 534474012 /nfs/dbraw/zinc/47/40/12/534474012.db2.gz JNHBAFHNUIQNLW-RISCZKNCSA-N 2 2 258.365 3.129 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)[nH+]c1 ZINC000414193418 534494067 /nfs/dbraw/zinc/49/40/67/534494067.db2.gz MUIIDLKVIMLAPL-SJLPKXTDSA-N 2 2 299.462 3.466 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414071810 534684917 /nfs/dbraw/zinc/68/49/17/534684917.db2.gz UKGCMWFLHWKZFA-NFAWXSAZSA-N 2 2 271.408 3.369 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(c3cccc(F)c3)C2)CCC1 ZINC000097928231 524036688 /nfs/dbraw/zinc/03/66/88/524036688.db2.gz NULYSXVDYYHMKM-UHFFFAOYSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC000049553068 524170926 /nfs/dbraw/zinc/17/09/26/524170926.db2.gz WZELQQOMOXUQJR-VXGBXAGGSA-N 2 2 254.805 3.331 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ncc(-c2ccccc2)o1 ZINC000184874923 525445322 /nfs/dbraw/zinc/44/53/22/525445322.db2.gz YPMOULOQCFIOEG-CQSZACIVSA-N 2 2 296.374 3.279 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149696401 525501485 /nfs/dbraw/zinc/50/14/85/525501485.db2.gz HCPJYMGUFQIARV-CZUORRHYSA-N 2 2 287.432 3.419 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424323423 526286223 /nfs/dbraw/zinc/28/62/23/526286223.db2.gz JBQCKSXSVGBDRF-AEFFLSMTSA-N 2 2 290.426 3.476 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868093 527810283 /nfs/dbraw/zinc/81/02/83/527810283.db2.gz QETSSNKIAUSUMJ-KLHDSHLOSA-N 2 2 275.440 3.248 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccoc1 ZINC000423273907 527849151 /nfs/dbraw/zinc/84/91/51/527849151.db2.gz LDQXMMCOWZKBRF-GJZGRUSLSA-N 2 2 252.402 3.330 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197028 527974761 /nfs/dbraw/zinc/97/47/61/527974761.db2.gz PBGKQRWDJLNLPI-YWPYICTPSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197028 527974767 /nfs/dbraw/zinc/97/47/67/527974767.db2.gz PBGKQRWDJLNLPI-YWPYICTPSA-N 2 2 266.816 3.331 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnn1C1CCCC1 ZINC000449326119 528070545 /nfs/dbraw/zinc/07/05/45/528070545.db2.gz SKOVLSCQXXHHNT-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnn1C1CCCC1 ZINC000449326119 528070549 /nfs/dbraw/zinc/07/05/49/528070549.db2.gz SKOVLSCQXXHHNT-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368092427 528144584 /nfs/dbraw/zinc/14/45/84/528144584.db2.gz KAQPPAMDHIUWRT-YOEHRIQHSA-N 2 2 296.418 3.349 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C)c2F)CC1 ZINC000449019474 528195564 /nfs/dbraw/zinc/19/55/64/528195564.db2.gz WQRGPRLTTJBZRN-UHFFFAOYSA-N 2 2 278.415 3.440 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2F)CC1 ZINC000449019474 528195568 /nfs/dbraw/zinc/19/55/68/528195568.db2.gz WQRGPRLTTJBZRN-UHFFFAOYSA-N 2 2 278.415 3.440 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423555110 528204341 /nfs/dbraw/zinc/20/43/41/528204341.db2.gz LSTZVJZJYVJLDG-ZBFHGGJFSA-N 2 2 276.424 3.267 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(C(C)C)cc21 ZINC000423243264 528333091 /nfs/dbraw/zinc/33/30/91/528333091.db2.gz JXEOOVHBBFEFLP-MRXNPFEDSA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427893551 528437840 /nfs/dbraw/zinc/43/78/40/528437840.db2.gz PHZRRWCKEUQCSN-ZWKOTPCHSA-N 2 2 297.446 3.445 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCCC1)Cc1occc1C ZINC000412024907 528450748 /nfs/dbraw/zinc/45/07/48/528450748.db2.gz GQYLINUFSYBDTA-UHFFFAOYSA-N 2 2 264.413 3.286 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1occc1C ZINC000412024907 528450753 /nfs/dbraw/zinc/45/07/53/528450753.db2.gz GQYLINUFSYBDTA-UHFFFAOYSA-N 2 2 264.413 3.286 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000425331916 528623459 /nfs/dbraw/zinc/62/34/59/528623459.db2.gz ZLIPOCXGLBBLFF-INIZCTEOSA-N 2 2 255.365 3.411 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000425331916 528623463 /nfs/dbraw/zinc/62/34/63/528623463.db2.gz ZLIPOCXGLBBLFF-INIZCTEOSA-N 2 2 255.365 3.411 20 0 CGADLP CCCc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367710455 528634145 /nfs/dbraw/zinc/63/41/45/528634145.db2.gz YPBMMFOBXXMAIK-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCCc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000367710455 528634147 /nfs/dbraw/zinc/63/41/47/528634147.db2.gz YPBMMFOBXXMAIK-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000368693068 528655357 /nfs/dbraw/zinc/65/53/57/528655357.db2.gz GJSPZEFFTWKMLN-MRXNPFEDSA-N 2 2 299.418 3.257 20 0 CGADLP CC(F)(F)CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449352518 528725047 /nfs/dbraw/zinc/72/50/47/528725047.db2.gz WSYZKCTTZQCOIL-UHFFFAOYSA-N 2 2 297.393 3.071 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423303155 528823818 /nfs/dbraw/zinc/82/38/18/528823818.db2.gz WPJVLSMADAHUQR-ZBFHGGJFSA-N 3 2 286.423 3.040 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303155 528823823 /nfs/dbraw/zinc/82/38/23/528823823.db2.gz WPJVLSMADAHUQR-ZBFHGGJFSA-N 2 2 286.423 3.040 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368102171 529126747 /nfs/dbraw/zinc/12/67/47/529126747.db2.gz MSVMXIMTRQOCST-YOEHRIQHSA-N 2 2 269.392 3.254 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368102171 529126750 /nfs/dbraw/zinc/12/67/50/529126750.db2.gz MSVMXIMTRQOCST-YOEHRIQHSA-N 2 2 269.392 3.254 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423543023 529206800 /nfs/dbraw/zinc/20/68/00/529206800.db2.gz BNSDXNHUAUNDSP-GXTWGEPZSA-N 2 2 298.377 3.471 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309778 529274402 /nfs/dbraw/zinc/27/44/02/529274402.db2.gz INJMPWRTEOTSSX-ICUGJSFKSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309778 529274404 /nfs/dbraw/zinc/27/44/04/529274404.db2.gz INJMPWRTEOTSSX-ICUGJSFKSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119950 535934356 /nfs/dbraw/zinc/93/43/56/535934356.db2.gz LRNZMAUHSVBIHD-MSOLQXFVSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000086119950 535934363 /nfs/dbraw/zinc/93/43/63/535934363.db2.gz LRNZMAUHSVBIHD-MSOLQXFVSA-N 2 2 272.436 3.429 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000237167476 536344027 /nfs/dbraw/zinc/34/40/27/536344027.db2.gz XYQGOTLKVDXLTB-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1Cl ZINC000450851696 536757572 /nfs/dbraw/zinc/75/75/72/536757572.db2.gz BUQXKSTZRMDYNA-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1Cl ZINC000450851696 536757582 /nfs/dbraw/zinc/75/75/82/536757582.db2.gz BUQXKSTZRMDYNA-AWEZNQCLSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1cc(Nc2[nH+]cnc3[nH]ccc32)ccc1[NH+](C)C ZINC000726965755 571691135 /nfs/dbraw/zinc/69/11/35/571691135.db2.gz NXCVXEBNXCQFAH-UHFFFAOYSA-N 2 2 267.336 3.076 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000730818375 572377062 /nfs/dbraw/zinc/37/70/62/572377062.db2.gz RGGZGVMVTCOWDX-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000394561671 572468560 /nfs/dbraw/zinc/46/85/60/572468560.db2.gz LFIIYCSSDCQUNY-QAPCUYQASA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000394561671 572468566 /nfs/dbraw/zinc/46/85/66/572468566.db2.gz LFIIYCSSDCQUNY-QAPCUYQASA-N 2 2 272.436 3.287 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000742388469 572574938 /nfs/dbraw/zinc/57/49/38/572574938.db2.gz VMVYKYMKSLKDFI-QJPKHSJYSA-N 2 2 258.409 3.164 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000742388469 572574939 /nfs/dbraw/zinc/57/49/39/572574939.db2.gz VMVYKYMKSLKDFI-QJPKHSJYSA-N 2 2 258.409 3.164 20 0 CGADLP C[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750046977 573078029 /nfs/dbraw/zinc/07/80/29/573078029.db2.gz KSIFMFNTXGNGBI-AWEZNQCLSA-N 2 2 270.380 3.032 20 0 CGADLP C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750046977 573078033 /nfs/dbraw/zinc/07/80/33/573078033.db2.gz KSIFMFNTXGNGBI-AWEZNQCLSA-N 2 2 270.380 3.032 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716513 618836861 /nfs/dbraw/zinc/83/68/61/618836861.db2.gz TURDWMBBHKLMJG-WMLDXEAASA-N 2 2 290.451 3.049 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716513 618836863 /nfs/dbraw/zinc/83/68/63/618836863.db2.gz TURDWMBBHKLMJG-WMLDXEAASA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892568263 618864232 /nfs/dbraw/zinc/86/42/32/618864232.db2.gz XVXJDELPBISFJA-DCBWTQNWSA-N 2 2 291.345 3.086 20 0 CGADLP COCCCC1(C[NH2+]C[C@@H](C)[NH+]2CCCCC2)CCC1 ZINC000892649641 618886936 /nfs/dbraw/zinc/88/69/36/618886936.db2.gz ADOKOMZFTVOGBB-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000094371208 619244882 /nfs/dbraw/zinc/24/48/82/619244882.db2.gz GLUFWZUSBNORID-MRXNPFEDSA-N 2 2 291.439 3.135 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCC1 ZINC000094371125 619249827 /nfs/dbraw/zinc/24/98/27/619249827.db2.gz FTPFKSNBASHCOR-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCCC1)Cc1ccccc1 ZINC000236839718 619277464 /nfs/dbraw/zinc/27/74/64/619277464.db2.gz XIHAOGZGEVHFNV-GOSISDBHSA-N 2 2 274.452 3.472 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000893978073 619343757 /nfs/dbraw/zinc/34/37/57/619343757.db2.gz OIMNCEOFWYHRMG-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000893978073 619343760 /nfs/dbraw/zinc/34/37/60/619343760.db2.gz OIMNCEOFWYHRMG-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893978073 619343761 /nfs/dbraw/zinc/34/37/61/619343761.db2.gz OIMNCEOFWYHRMG-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000893978073 619343763 /nfs/dbraw/zinc/34/37/63/619343763.db2.gz OIMNCEOFWYHRMG-HOCLYGCPSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1cc(NCCCC[N@@H+](C)C2CC2)nc(C2CCC2)[nH+]1 ZINC000894143378 619392009 /nfs/dbraw/zinc/39/20/09/619392009.db2.gz USXPMVBYQKMAHD-UHFFFAOYSA-N 2 2 288.439 3.339 20 0 CGADLP Cc1cc(NCCCC[N@H+](C)C2CC2)nc(C2CCC2)[nH+]1 ZINC000894143378 619392010 /nfs/dbraw/zinc/39/20/10/619392010.db2.gz USXPMVBYQKMAHD-UHFFFAOYSA-N 2 2 288.439 3.339 20 0 CGADLP C[C@@H]1CCC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110194 619733331 /nfs/dbraw/zinc/73/33/31/619733331.db2.gz COILAKXNXYWRHG-FPCVCCKLSA-N 2 2 273.424 3.347 20 0 CGADLP C[C@H](C[NH2+]Cc1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000067500598 620143820 /nfs/dbraw/zinc/14/38/20/620143820.db2.gz CSZPYPHEPJEVRS-CYBMUJFWSA-N 2 2 269.348 3.055 20 0 CGADLP C[C@H](C[NH2+]Cc1csc(C(C)(C)C)n1)Cn1cc[nH+]c1 ZINC000067500390 620143972 /nfs/dbraw/zinc/14/39/72/620143972.db2.gz UZXLNGXQSZTZBY-GFCCVEGCSA-N 2 2 292.452 3.063 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)s1 ZINC000897984711 620462257 /nfs/dbraw/zinc/46/22/57/620462257.db2.gz FASVBGOSGXKWSV-UHFFFAOYSA-N 2 2 264.438 3.163 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c2c(c1)CCCN2 ZINC000897982733 620462267 /nfs/dbraw/zinc/46/22/67/620462267.db2.gz QFIVTKGLZVVXLD-UHFFFAOYSA-N 2 2 299.462 3.151 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000898031978 620469480 /nfs/dbraw/zinc/46/94/80/620469480.db2.gz RVPYMOHDVJUENH-TZMCWYRMSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000898031978 620469484 /nfs/dbraw/zinc/46/94/84/620469484.db2.gz RVPYMOHDVJUENH-TZMCWYRMSA-N 2 2 286.410 3.417 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000898035569 620470426 /nfs/dbraw/zinc/47/04/26/620470426.db2.gz VKMAXKIMFCXFQJ-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000898035569 620470430 /nfs/dbraw/zinc/47/04/30/620470430.db2.gz VKMAXKIMFCXFQJ-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035042 620471004 /nfs/dbraw/zinc/47/10/04/620471004.db2.gz ICKFSKWNPSSJMM-LLVKDONJSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035042 620471007 /nfs/dbraw/zinc/47/10/07/620471007.db2.gz ICKFSKWNPSSJMM-LLVKDONJSA-N 2 2 266.351 3.039 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000902345750 621258127 /nfs/dbraw/zinc/25/81/27/621258127.db2.gz LEZJWFNCGAQCAV-OAHLLOKOSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2ccccc2)o1 ZINC000902418752 621310575 /nfs/dbraw/zinc/31/05/75/621310575.db2.gz ZJMWTFXDDGKHEO-LBPRGKRZSA-N 2 2 256.349 3.089 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902437868 621318785 /nfs/dbraw/zinc/31/87/85/621318785.db2.gz KVIHWMFRHKHXFB-MJXNMMHHSA-N 2 2 296.414 3.361 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc2c1 ZINC000902474796 621325153 /nfs/dbraw/zinc/32/51/53/621325153.db2.gz FRZISBIGNGMUQB-SZUHRMQMSA-N 2 2 296.414 3.392 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902474619 621325321 /nfs/dbraw/zinc/32/53/21/621325321.db2.gz GJLMBCMTAOPTGE-LTIDMASMSA-N 2 2 258.409 3.256 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(-c2ccncc2)c1 ZINC000902471236 621341580 /nfs/dbraw/zinc/34/15/80/621341580.db2.gz KUPVXRVQILRQFZ-NOENWEJRSA-N 2 2 293.414 3.292 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000902618818 621386950 /nfs/dbraw/zinc/38/69/50/621386950.db2.gz JAJULDOHXKWWBI-QZTJIDSGSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000902618818 621386953 /nfs/dbraw/zinc/38/69/53/621386953.db2.gz JAJULDOHXKWWBI-QZTJIDSGSA-N 2 2 287.451 3.143 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000902721145 621409397 /nfs/dbraw/zinc/40/93/97/621409397.db2.gz USHMBPSHSGDBKY-NSHDSACASA-N 2 2 298.312 3.038 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725023 621412857 /nfs/dbraw/zinc/41/28/57/621412857.db2.gz NWZUVPAYOUQNCK-OKZBNKHCSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725023 621412863 /nfs/dbraw/zinc/41/28/63/621412863.db2.gz NWZUVPAYOUQNCK-OKZBNKHCSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902794737 621451614 /nfs/dbraw/zinc/45/16/14/621451614.db2.gz YQGNRKJDQPNTOT-LSDHHAIUSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902837012 621469464 /nfs/dbraw/zinc/46/94/64/621469464.db2.gz RWTKTPXCKOOFDB-YQQAZPJKSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902962992 621507298 /nfs/dbraw/zinc/50/72/98/621507298.db2.gz BZSVJKKYAQIXJO-RLFYNMQTSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025734 621542454 /nfs/dbraw/zinc/54/24/54/621542454.db2.gz HYNKGKRNESTMDK-IUODEOHRSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903029504 621543349 /nfs/dbraw/zinc/54/33/49/621543349.db2.gz LNXIBJMNVVULKB-HNKHHVNMSA-N 2 2 267.376 3.321 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046963 621554770 /nfs/dbraw/zinc/55/47/70/621554770.db2.gz DSSUFWBCGXSFRP-DLBZAZTESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046963 621554771 /nfs/dbraw/zinc/55/47/71/621554771.db2.gz DSSUFWBCGXSFRP-DLBZAZTESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046965 621555272 /nfs/dbraw/zinc/55/52/72/621555272.db2.gz DSSUFWBCGXSFRP-IRXDYDNUSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046965 621555281 /nfs/dbraw/zinc/55/52/81/621555281.db2.gz DSSUFWBCGXSFRP-IRXDYDNUSA-N 2 2 296.499 3.290 20 0 CGADLP c1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)c2ccccn2)cc1 ZINC000903740690 621800981 /nfs/dbraw/zinc/80/09/81/621800981.db2.gz JVJMSVXYAVXABW-APWZRJJASA-N 2 2 295.430 3.150 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903794629 621805450 /nfs/dbraw/zinc/80/54/50/621805450.db2.gz AYZJLCBSCAUOCT-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903794629 621805451 /nfs/dbraw/zinc/80/54/51/621805451.db2.gz AYZJLCBSCAUOCT-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cnc(Cl)s2)CCC1 ZINC000903816224 621809550 /nfs/dbraw/zinc/80/95/50/621809550.db2.gz WPRQJYRDDOSAEM-LBPRGKRZSA-N 2 2 299.871 3.280 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cnc(Cl)s2)CCC1 ZINC000903816224 621809552 /nfs/dbraw/zinc/80/95/52/621809552.db2.gz WPRQJYRDDOSAEM-LBPRGKRZSA-N 2 2 299.871 3.280 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910525 621831964 /nfs/dbraw/zinc/83/19/64/621831964.db2.gz NBXDWPRTZYLDJQ-DOTOQJQBSA-N 2 2 296.405 3.314 20 0 CGADLP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903910525 621831965 /nfs/dbraw/zinc/83/19/65/621831965.db2.gz NBXDWPRTZYLDJQ-DOTOQJQBSA-N 2 2 296.405 3.314 20 0 CGADLP Cc1cc(NCc2cc3c(s2)CC[NH2+]C3)c[nH+]c1C ZINC000903947722 621840443 /nfs/dbraw/zinc/84/04/43/621840443.db2.gz GDUKBQKQRGXHTO-UHFFFAOYSA-N 2 2 273.405 3.018 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC2(CC2(F)F)CC1 ZINC000904376896 621916280 /nfs/dbraw/zinc/91/62/80/621916280.db2.gz YIOITIUFKMELIC-LBPRGKRZSA-N 2 2 274.399 3.261 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)C(C)(C)C ZINC000904469439 621925189 /nfs/dbraw/zinc/92/51/89/621925189.db2.gz MHBQOUSGIBZHEB-GDBMZVCRSA-N 2 2 277.456 3.440 20 0 CGADLP CCCC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000906529056 622244067 /nfs/dbraw/zinc/24/40/67/622244067.db2.gz BSGIKDICFZIACB-OAHLLOKOSA-N 2 2 257.381 3.094 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc2ccccc2s1 ZINC000156342722 622812419 /nfs/dbraw/zinc/81/24/19/622812419.db2.gz YBQFMMKPVLAUGI-AGIUHOORSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc2ccccc2s1 ZINC000156342722 622812425 /nfs/dbraw/zinc/81/24/25/622812425.db2.gz YBQFMMKPVLAUGI-AGIUHOORSA-N 2 2 289.448 3.430 20 0 CGADLP COc1cccc2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000062254485 623211902 /nfs/dbraw/zinc/21/19/02/623211902.db2.gz OBVAMGUQGBSQNO-CYBMUJFWSA-N 2 2 299.374 3.064 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@H](C)C1 ZINC000153616874 623982615 /nfs/dbraw/zinc/98/26/15/623982615.db2.gz GHJPHBVYKHDNHV-PBHICJAKSA-N 2 2 287.451 3.211 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@H](C)C1 ZINC000153616874 623982627 /nfs/dbraw/zinc/98/26/27/623982627.db2.gz GHJPHBVYKHDNHV-PBHICJAKSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@H](C)C1 ZINC000153616874 623982638 /nfs/dbraw/zinc/98/26/38/623982638.db2.gz GHJPHBVYKHDNHV-PBHICJAKSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@H](C)C1 ZINC000153616874 623982657 /nfs/dbraw/zinc/98/26/57/623982657.db2.gz GHJPHBVYKHDNHV-PBHICJAKSA-N 2 2 287.451 3.211 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000922227084 625986444 /nfs/dbraw/zinc/98/64/44/625986444.db2.gz RCMKXJXEVVRIQE-XUWVNRHRSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000922227084 625986445 /nfs/dbraw/zinc/98/64/45/625986445.db2.gz RCMKXJXEVVRIQE-XUWVNRHRSA-N 2 2 282.497 3.267 20 0 CGADLP Cc1cnc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)c1 ZINC000922742299 626041813 /nfs/dbraw/zinc/04/18/13/626041813.db2.gz SDCCTPFIXGIROP-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000922837468 626054616 /nfs/dbraw/zinc/05/46/16/626054616.db2.gz OPGIBGBMNYCIPW-NEPJUHHUSA-N 2 2 293.461 3.308 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000754121149 626558641 /nfs/dbraw/zinc/55/86/41/626558641.db2.gz JYBNFHMNGXRURV-QLFBSQMISA-N 2 2 295.496 3.418 20 0 CGADLP C[N@H+](C/C=C\Cl)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000754350811 626568633 /nfs/dbraw/zinc/56/86/33/626568633.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 2 277.239 3.278 20 0 CGADLP C[N@@H+](C/C=C\Cl)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000754350811 626568636 /nfs/dbraw/zinc/56/86/36/626568636.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C\Cl)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000754350811 626568637 /nfs/dbraw/zinc/56/86/37/626568637.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 2 277.239 3.278 20 0 CGADLP C[NH+](C/C=C\Cl)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000754350811 626568640 /nfs/dbraw/zinc/56/86/40/626568640.db2.gz GDXVWMOQMVTLSQ-ZBKVEWDNSA-N 2 2 277.239 3.278 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)[NH+](C)C ZINC000020201557 634507637 /nfs/dbraw/zinc/50/76/37/634507637.db2.gz RJVOURKBVUSIOE-WBVHZDCISA-N 2 2 292.467 3.279 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1 ZINC000766267075 627307920 /nfs/dbraw/zinc/30/79/20/627307920.db2.gz DORAYDBQJWFMMO-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1 ZINC000766267075 627307923 /nfs/dbraw/zinc/30/79/23/627307923.db2.gz DORAYDBQJWFMMO-JKSUJKDBSA-N 2 2 260.425 3.438 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766268427 627308608 /nfs/dbraw/zinc/30/86/08/627308608.db2.gz LCYTVFCQCMYUQO-BZUAXINKSA-N 2 2 290.451 3.261 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766268427 627308615 /nfs/dbraw/zinc/30/86/15/627308615.db2.gz LCYTVFCQCMYUQO-BZUAXINKSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000766271923 627309895 /nfs/dbraw/zinc/30/98/95/627309895.db2.gz WHZSJXPAMJYOAJ-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000766271923 627309898 /nfs/dbraw/zinc/30/98/98/627309898.db2.gz WHZSJXPAMJYOAJ-WBMJQRKESA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000766271914 627310189 /nfs/dbraw/zinc/31/01/89/627310189.db2.gz WHZSJXPAMJYOAJ-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000766271914 627310190 /nfs/dbraw/zinc/31/01/90/627310190.db2.gz WHZSJXPAMJYOAJ-BLLLJJGKSA-N 2 2 278.827 3.401 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000769867601 627584703 /nfs/dbraw/zinc/58/47/03/627584703.db2.gz LASPNXQSFCMFLJ-CYBMUJFWSA-N 2 2 279.428 3.072 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000769870189 627585479 /nfs/dbraw/zinc/58/54/79/627585479.db2.gz FCVLDERYVOFKHU-LBPRGKRZSA-N 2 2 288.395 3.093 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(CCC2)C1 ZINC000772874760 627829888 /nfs/dbraw/zinc/82/98/88/627829888.db2.gz ITIWQKFGTBKWCN-CQSZACIVSA-N 2 2 261.413 3.220 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000782530087 628651272 /nfs/dbraw/zinc/65/12/72/628651272.db2.gz AFXGGADWNPCMTO-UPJWGTAASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000782530087 628651274 /nfs/dbraw/zinc/65/12/74/628651274.db2.gz AFXGGADWNPCMTO-UPJWGTAASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783244857 628693743 /nfs/dbraw/zinc/69/37/43/628693743.db2.gz WTUAJHRIYUIVDS-KSSFIOAISA-N 2 2 287.451 3.110 20 0 CGADLP FC(F)(F)c1c[nH+]ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000865486346 630148096 /nfs/dbraw/zinc/14/80/96/630148096.db2.gz RCXPNFDNPIEYCS-UHFFFAOYSA-N 2 2 296.296 3.138 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000800475466 630283463 /nfs/dbraw/zinc/28/34/63/630283463.db2.gz CWFVZDGEJBHICH-JYJNAYRXSA-N 2 2 293.455 3.093 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000817888398 632229532 /nfs/dbraw/zinc/22/95/32/632229532.db2.gz LDGFWGVGRLFYKB-PBHICJAKSA-N 2 2 276.424 3.094 20 0 CGADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CCC2 ZINC000817923922 632235349 /nfs/dbraw/zinc/23/53/49/632235349.db2.gz CVHSEQCBQHUAMX-OWCLPIDISA-N 2 2 290.455 3.091 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(F)cnc1Cl ZINC000817933396 632236021 /nfs/dbraw/zinc/23/60/21/632236021.db2.gz CJBSVGWGJUHNES-SMDDNHRTSA-N 2 2 299.821 3.275 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000817940127 632241209 /nfs/dbraw/zinc/24/12/09/632241209.db2.gz FLTCIGHYPNNABN-AAEUAGOBSA-N 2 2 282.815 3.060 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000817949882 632246576 /nfs/dbraw/zinc/24/65/76/632246576.db2.gz OSTOUSFTSBHAHT-GXTWGEPZSA-N 2 2 296.842 3.450 20 0 CGADLP C[NH2+]CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951698 632247574 /nfs/dbraw/zinc/24/75/74/632247574.db2.gz FZYXLVVBABRBCX-ZDUSSCGKSA-N 2 2 286.391 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817951658 632248050 /nfs/dbraw/zinc/24/80/50/632248050.db2.gz IZZDDVDAHSOENF-JQWIXIFHSA-N 2 2 286.391 3.404 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000844221243 635833818 /nfs/dbraw/zinc/83/38/18/635833818.db2.gz LAUXRRQAJNPJMP-MQVJKMGUSA-N 2 2 297.402 3.186 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000844221243 635833821 /nfs/dbraw/zinc/83/38/21/635833821.db2.gz LAUXRRQAJNPJMP-MQVJKMGUSA-N 2 2 297.402 3.186 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000822677559 633003808 /nfs/dbraw/zinc/00/38/08/633003808.db2.gz XRKLLWVKAAAGON-NSHDSACASA-N 2 2 288.222 3.173 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822750076 633015027 /nfs/dbraw/zinc/01/50/27/633015027.db2.gz HKHGJWCIWZQUHM-MNOVXSKESA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[NH+](C)C ZINC000866259833 633048622 /nfs/dbraw/zinc/04/86/22/633048622.db2.gz QIMMHPKJFQVHKT-GJZGRUSLSA-N 2 2 285.435 3.096 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828286906 633602200 /nfs/dbraw/zinc/60/22/00/633602200.db2.gz JONPEEVSINMPIA-GFCCVEGCSA-N 2 2 279.255 3.033 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000872034014 633952831 /nfs/dbraw/zinc/95/28/31/633952831.db2.gz FBDRORNFTUIVLT-STQMWFEESA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000872034014 633952834 /nfs/dbraw/zinc/95/28/34/633952834.db2.gz FBDRORNFTUIVLT-STQMWFEESA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000872034012 633953509 /nfs/dbraw/zinc/95/35/09/633953509.db2.gz FBDRORNFTUIVLT-OLZOCXBDSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000872034012 633953514 /nfs/dbraw/zinc/95/35/14/633953514.db2.gz FBDRORNFTUIVLT-OLZOCXBDSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(O)ccc2F)C1 ZINC000872034930 633954173 /nfs/dbraw/zinc/95/41/73/633954173.db2.gz RWYULNUPVKTFMY-UONOGXRCSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(O)ccc2F)C1 ZINC000872034930 633954182 /nfs/dbraw/zinc/95/41/82/633954182.db2.gz RWYULNUPVKTFMY-UONOGXRCSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2F)C1 ZINC000872035903 633954778 /nfs/dbraw/zinc/95/47/78/633954778.db2.gz ZGBFQLPDNSWIPG-KGLIPLIRSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2F)C1 ZINC000872035903 633954782 /nfs/dbraw/zinc/95/47/82/633954782.db2.gz ZGBFQLPDNSWIPG-KGLIPLIRSA-N 2 2 294.414 3.302 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(O)ccc1F ZINC000872043352 633966158 /nfs/dbraw/zinc/96/61/58/633966158.db2.gz XAXHPLJKOKNAGP-GFCCVEGCSA-N 2 2 289.354 3.079 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)[C@@H]1CC[NH3+] ZINC000872144795 634064484 /nfs/dbraw/zinc/06/44/84/634064484.db2.gz IVEPAPRRNNOXJS-GXFFZTMASA-N 2 2 290.329 3.248 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)[C@@H]1CC[NH3+] ZINC000872144795 634064485 /nfs/dbraw/zinc/06/44/85/634064485.db2.gz IVEPAPRRNNOXJS-GXFFZTMASA-N 2 2 290.329 3.248 20 0 CGADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000834526776 634176717 /nfs/dbraw/zinc/17/67/17/634176717.db2.gz PABRVLZWGWJDGH-HZPDHXFCSA-N 2 2 286.423 3.434 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230847 634292408 /nfs/dbraw/zinc/29/24/08/634292408.db2.gz YQLLYVNYCLGDDV-CVEARBPZSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230557 634293362 /nfs/dbraw/zinc/29/33/62/634293362.db2.gz TZMBUSKMZATDSO-DLBZAZTESA-N 2 2 270.376 3.115 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)CCC2 ZINC000873236025 634295488 /nfs/dbraw/zinc/29/54/88/634295488.db2.gz WAFDHZMBBOKGRX-STQMWFEESA-N 2 2 293.480 3.197 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)CCC2 ZINC000873236024 634295947 /nfs/dbraw/zinc/29/59/47/634295947.db2.gz WAFDHZMBBOKGRX-QWHCGFSZSA-N 2 2 293.480 3.197 20 0 CGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCC1 ZINC000876956475 634937908 /nfs/dbraw/zinc/93/79/08/634937908.db2.gz LGTYHXUBSJWHDE-HZPDHXFCSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC1(F)F ZINC000840967274 635095167 /nfs/dbraw/zinc/09/51/67/635095167.db2.gz YTRBVNVKAORHSX-SMDDNHRTSA-N 2 2 277.318 3.006 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(Cl)n2)CC1 ZINC000878164848 635389960 /nfs/dbraw/zinc/38/99/60/635389960.db2.gz PRCVSKSHQQLZNG-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(Cl)n2)CC1 ZINC000878164848 635389962 /nfs/dbraw/zinc/38/99/62/635389962.db2.gz PRCVSKSHQQLZNG-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000843049559 635549659 /nfs/dbraw/zinc/54/96/59/635549659.db2.gz QANUINWCKYIBSX-UHFFFAOYSA-N 2 2 286.391 3.185 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880570932 636024060 /nfs/dbraw/zinc/02/40/60/636024060.db2.gz ZWHYWRHIVKPTOJ-PVAVHDDUSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncs1 ZINC000129246999 636202434 /nfs/dbraw/zinc/20/24/34/636202434.db2.gz MIYIQCBLQBDTJA-WCQYABFASA-N 2 2 278.425 3.105 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129448651 636260895 /nfs/dbraw/zinc/26/08/95/636260895.db2.gz YRFOPRBWSAVYJO-KBPBESRZSA-N 2 2 263.429 3.466 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000883265968 636637322 /nfs/dbraw/zinc/63/73/22/636637322.db2.gz OZFXTAGOBPTGBW-DYVFJYSZSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000883265968 636637329 /nfs/dbraw/zinc/63/73/29/636637329.db2.gz OZFXTAGOBPTGBW-DYVFJYSZSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000131629712 636702016 /nfs/dbraw/zinc/70/20/16/636702016.db2.gz OBDCKRXUCPNODV-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000131629712 636702021 /nfs/dbraw/zinc/70/20/21/636702021.db2.gz OBDCKRXUCPNODV-NXEZZACHSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386231 636727427 /nfs/dbraw/zinc/72/74/27/636727427.db2.gz BYNDAFBVWWKHJA-DJIMGWMZSA-N 2 2 269.392 3.403 20 0 CGADLP CC[C@H](C)c1ccc(NC(=[NH2+])NCCc2cn(C)c[nH+]2)cc1 ZINC000849040469 636728316 /nfs/dbraw/zinc/72/83/16/636728316.db2.gz WJQJBYIHZBSAFS-ZDUSSCGKSA-N 2 2 299.422 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCCO1 ZINC000883387968 636729097 /nfs/dbraw/zinc/72/90/97/636729097.db2.gz JIEXYPBURNECHH-SZMVWBNQSA-N 2 2 299.418 3.172 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388106 636730769 /nfs/dbraw/zinc/73/07/69/636730769.db2.gz MGJHWNIGAJGKCN-KSZLIROESA-N 2 2 299.418 3.172 20 0 CGADLP CC(C)OC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397860 636740353 /nfs/dbraw/zinc/74/03/53/636740353.db2.gz XPCYZHLRDGTUMK-RDJZCZTQSA-N 2 2 287.407 3.028 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421462 637055286 /nfs/dbraw/zinc/05/52/86/637055286.db2.gz VXWUSLBHFJREOI-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850421462 637055292 /nfs/dbraw/zinc/05/52/92/637055292.db2.gz VXWUSLBHFJREOI-PBHICJAKSA-N 2 2 288.435 3.147 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000886098022 637407319 /nfs/dbraw/zinc/40/73/19/637407319.db2.gz IINLVRFBIDGJRX-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000886098022 637407325 /nfs/dbraw/zinc/40/73/25/637407325.db2.gz IINLVRFBIDGJRX-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncc(F)c1 ZINC000222555956 637801976 /nfs/dbraw/zinc/80/19/76/637801976.db2.gz DMLZDJQBBAFKPG-IUODEOHRSA-N 2 2 290.386 3.183 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924529331 638351356 /nfs/dbraw/zinc/35/13/56/638351356.db2.gz UYAXXFZXFIKNKN-RCCFBDPRSA-N 3 2 295.515 3.103 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924529331 638351363 /nfs/dbraw/zinc/35/13/63/638351363.db2.gz UYAXXFZXFIKNKN-RCCFBDPRSA-N 3 2 295.515 3.103 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924534460 638354628 /nfs/dbraw/zinc/35/46/28/638354628.db2.gz KXMKPWHWQSZQLW-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924534460 638354635 /nfs/dbraw/zinc/35/46/35/638354635.db2.gz KXMKPWHWQSZQLW-RTBURBONSA-N 2 2 297.446 3.317 20 0 CGADLP CC(C)(C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)[NH+]1CCCCC1 ZINC000924541698 638357058 /nfs/dbraw/zinc/35/70/58/638357058.db2.gz MQFAPJNWRISQLD-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707839 638392459 /nfs/dbraw/zinc/39/24/59/638392459.db2.gz VWZSCWMBTXSTIJ-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924707839 638392462 /nfs/dbraw/zinc/39/24/62/638392462.db2.gz VWZSCWMBTXSTIJ-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770774 638402533 /nfs/dbraw/zinc/40/25/33/638402533.db2.gz SWJPXYLAKOVOPS-IRXDYDNUSA-N 2 2 299.418 3.023 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000925051765 638443364 /nfs/dbraw/zinc/44/33/64/638443364.db2.gz MABAMPNXWFNEAT-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000925051765 638443369 /nfs/dbraw/zinc/44/33/69/638443369.db2.gz MABAMPNXWFNEAT-KZNAEPCWSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cnn(C2CCC2)c1 ZINC000925167355 638467148 /nfs/dbraw/zinc/46/71/48/638467148.db2.gz BVBWCYVHYRTFHF-KBPBESRZSA-N 2 2 299.422 3.033 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925185442 638469634 /nfs/dbraw/zinc/46/96/34/638469634.db2.gz CJJLXDPURXBLEJ-SOUVJXGZSA-N 2 2 270.486 3.125 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925185442 638469639 /nfs/dbraw/zinc/46/96/39/638469639.db2.gz CJJLXDPURXBLEJ-SOUVJXGZSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000925517416 638516796 /nfs/dbraw/zinc/51/67/96/638516796.db2.gz GTMADTXQBIGVHN-DYVFJYSZSA-N 2 2 272.367 3.046 20 0 CGADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925579677 638535676 /nfs/dbraw/zinc/53/56/76/638535676.db2.gz NVBBCHVVWKHTEA-GOEBONIOSA-N 2 2 288.460 3.488 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000925710450 638575216 /nfs/dbraw/zinc/57/52/16/638575216.db2.gz KCWWTWKNUMOZFO-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCC2)nc1 ZINC000926417286 638769233 /nfs/dbraw/zinc/76/92/33/638769233.db2.gz YNIXCUQCZXYHJT-IAGOWNOFSA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCC2)nc1 ZINC000926417286 638769234 /nfs/dbraw/zinc/76/92/34/638769234.db2.gz YNIXCUQCZXYHJT-IAGOWNOFSA-N 2 2 299.462 3.110 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104205 638842604 /nfs/dbraw/zinc/84/26/04/638842604.db2.gz JVMGJFKYBGHQMD-LZLYRXPVSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927104205 638842606 /nfs/dbraw/zinc/84/26/06/638842606.db2.gz JVMGJFKYBGHQMD-LZLYRXPVSA-N 2 2 296.499 3.290 20 0 CGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C1CC1 ZINC000929756652 638947636 /nfs/dbraw/zinc/94/76/36/638947636.db2.gz VXTJTWAEUMJOOJ-HNNXBMFYSA-N 2 2 287.451 3.418 20 0 CGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C1CC1 ZINC000929756652 638947637 /nfs/dbraw/zinc/94/76/37/638947637.db2.gz VXTJTWAEUMJOOJ-HNNXBMFYSA-N 2 2 287.451 3.418 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000931349007 639138501 /nfs/dbraw/zinc/13/85/01/639138501.db2.gz RXQBWXKZUKORQA-JXMROGBWSA-N 2 2 258.409 3.116 20 0 CGADLP CC1CC(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000931706977 639193821 /nfs/dbraw/zinc/19/38/21/639193821.db2.gz LBHNOFOLNUMORQ-DQPZFDDXSA-N 2 2 269.392 3.260 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932899049 639397044 /nfs/dbraw/zinc/39/70/44/639397044.db2.gz QVRKHTBGMXYICQ-INIZCTEOSA-N 2 2 283.419 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932899049 639397053 /nfs/dbraw/zinc/39/70/53/639397053.db2.gz QVRKHTBGMXYICQ-INIZCTEOSA-N 2 2 283.419 3.231 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@@H](C)C1 ZINC000245557976 640627249 /nfs/dbraw/zinc/62/72/49/640627249.db2.gz GHJPHBVYKHDNHV-YOEHRIQHSA-N 2 2 287.451 3.211 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2ccc3c(c2)CCC[NH+]3C)[C@@H](C)C1 ZINC000245557976 640627256 /nfs/dbraw/zinc/62/72/56/640627256.db2.gz GHJPHBVYKHDNHV-YOEHRIQHSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H](C)C1 ZINC000245557976 640627262 /nfs/dbraw/zinc/62/72/62/640627262.db2.gz GHJPHBVYKHDNHV-YOEHRIQHSA-N 2 2 287.451 3.211 20 0 CGADLP CC[NH+]1CC[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H](C)C1 ZINC000245557976 640627267 /nfs/dbraw/zinc/62/72/67/640627267.db2.gz GHJPHBVYKHDNHV-YOEHRIQHSA-N 2 2 287.451 3.211 20 0 CGADLP COc1cccc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000090721321 640691467 /nfs/dbraw/zinc/69/14/67/640691467.db2.gz INNNUYSYVTZIPM-JSGCOSHPSA-N 2 2 288.391 3.014 20 0 CGADLP COc1cccc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000090721321 640691473 /nfs/dbraw/zinc/69/14/73/640691473.db2.gz INNNUYSYVTZIPM-JSGCOSHPSA-N 2 2 288.391 3.014 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000250256148 640811649 /nfs/dbraw/zinc/81/16/49/640811649.db2.gz SXKTVWLOVVVZSP-OWCLPIDISA-N 2 2 261.413 3.222 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250495900 640813659 /nfs/dbraw/zinc/81/36/59/640813659.db2.gz IYUNJYKDMUTYKN-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250495900 640813662 /nfs/dbraw/zinc/81/36/62/640813662.db2.gz IYUNJYKDMUTYKN-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2cc3ccccc3c[nH+]2)C1 ZINC001156378234 805679837 /nfs/dbraw/zinc/67/98/37/805679837.db2.gz JOGXKTHMJUEVMA-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2cc3ccccc3c[nH+]2)C1 ZINC001156378234 805679839 /nfs/dbraw/zinc/67/98/39/805679839.db2.gz JOGXKTHMJUEVMA-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP CC(C)c1ccc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001156390558 805682416 /nfs/dbraw/zinc/68/24/16/805682416.db2.gz YLVSZVDNNBILCV-CQSZACIVSA-N 2 2 261.413 3.349 20 0 CGADLP CC(C)c1ccc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001156390558 805682418 /nfs/dbraw/zinc/68/24/18/805682418.db2.gz YLVSZVDNNBILCV-CQSZACIVSA-N 2 2 261.413 3.349 20 0 CGADLP [NH2+]=C(Nc1cc(Cl)nc2ccc(F)cc21)SCC[NH3+] ZINC001157128980 805778983 /nfs/dbraw/zinc/77/89/83/805778983.db2.gz UPXVVGCCXHYRNJ-UHFFFAOYSA-N 2 2 298.774 3.066 20 0 CGADLP Cc1cc(NCC(C)(C)C[NH+](C)C)nc(C(C)(C)C)[nH+]1 ZINC001157944372 805906253 /nfs/dbraw/zinc/90/62/53/805906253.db2.gz LTCWHOCRJSFIKT-UHFFFAOYSA-N 2 2 278.444 3.082 20 0 CGADLP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c(C)c1 ZINC001158264974 805930996 /nfs/dbraw/zinc/93/09/96/805930996.db2.gz DRIQQCGEOQYENY-CXAGYDPISA-N 2 2 291.439 3.354 20 0 CGADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(N)[nH+]c1 ZINC001159281857 806074413 /nfs/dbraw/zinc/07/44/13/806074413.db2.gz FHORABYDJPVPNX-UHFFFAOYSA-N 2 2 270.380 3.249 20 0 CGADLP Cc1cccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1C ZINC001159321088 806082116 /nfs/dbraw/zinc/08/21/16/806082116.db2.gz BLIPDNANYYIHIQ-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP c1cc2c(cc1Nc1ccc(N3CCCC3)[nH+]c1)CC[NH2+]C2 ZINC001159366300 806087410 /nfs/dbraw/zinc/08/74/10/806087410.db2.gz VPUGNDWILAFVNM-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP CCCc1cc[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159409598 806095951 /nfs/dbraw/zinc/09/59/51/806095951.db2.gz UWYDBQAWOMINAF-UHFFFAOYSA-N 2 2 267.376 3.423 20 0 CGADLP Cc1cc[nH+]c2cc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc12 ZINC001159736705 806165554 /nfs/dbraw/zinc/16/55/54/806165554.db2.gz PRFKNYYCDCYXDP-OLZOCXBDSA-N 2 2 265.360 3.363 20 0 CGADLP CCSc1cc[nH+]c(NCc2ccccc2C[NH3+])c1 ZINC001160908755 806318141 /nfs/dbraw/zinc/31/81/41/806318141.db2.gz WUUKFBFJBDRXBK-UHFFFAOYSA-N 2 2 273.405 3.264 20 0 CGADLP CC(C)c1ccc(NCc2[nH+]cn3ccccc23)[nH+]c1 ZINC001161684286 806416556 /nfs/dbraw/zinc/41/65/56/806416556.db2.gz MXYQQTDQFFIJJP-UHFFFAOYSA-N 2 2 266.348 3.465 20 0 CGADLP Cc1ccc2c(cc[nH+]c2NCCCn2cc[nH+]c2)c1 ZINC001161682814 806417164 /nfs/dbraw/zinc/41/71/64/806417164.db2.gz ZINAJIUNIUYFGE-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(NCCCn3cc[nH+]c3)cc21 ZINC001161688056 806418725 /nfs/dbraw/zinc/41/87/25/806418725.db2.gz HSGURNRJCGCZTR-UHFFFAOYSA-N 2 2 296.418 3.387 20 0 CGADLP c1ccc(C2([NH2+][C@@H]3CC4CC[NH+](CC4)C3)CCC2)cc1 ZINC001254846875 806497221 /nfs/dbraw/zinc/49/72/21/806497221.db2.gz XFUWRIVTVOEMNB-QGZVFWFLSA-N 2 2 270.420 3.140 20 0 CGADLP Cc1cc(-n2c3ccccc3nc2[C@H](C)[NH3+])ccc1[NH+](C)C ZINC001162778351 806664381 /nfs/dbraw/zinc/66/43/81/806664381.db2.gz JOFUBSSVSHUNTK-ZDUSSCGKSA-N 2 2 294.402 3.420 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162793037 806666683 /nfs/dbraw/zinc/66/66/83/806666683.db2.gz JTUVXBDNPRTQDW-KCPJHIHWSA-N 2 2 285.778 3.074 20 0 CGADLP Cc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)cc(C2CCCCC2)[nH+]1 ZINC001162797352 806666996 /nfs/dbraw/zinc/66/69/96/806666996.db2.gz MDWYYTRNVCQUNK-ARFHVFGLSA-N 2 2 298.434 3.019 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000037156756 798862435 /nfs/dbraw/zinc/86/24/35/798862435.db2.gz UJGIQAKOKDKIML-SMDDNHRTSA-N 2 2 292.452 3.414 20 0 CGADLP Cc1c[nH+]c(NCCCn2cc[nH+]c2)c2ccccc12 ZINC000074402874 798919699 /nfs/dbraw/zinc/91/96/99/798919699.db2.gz PXVYASMEFNZCBN-UHFFFAOYSA-N 2 2 266.348 3.242 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000311049960 799223790 /nfs/dbraw/zinc/22/37/90/799223790.db2.gz QNZJVBOYCMKKQU-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000311049960 799223797 /nfs/dbraw/zinc/22/37/97/799223797.db2.gz QNZJVBOYCMKKQU-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cccnc21 ZINC000316853298 799243600 /nfs/dbraw/zinc/24/36/00/799243600.db2.gz SESPBNZPVFLPIC-JKSUJKDBSA-N 2 2 298.434 3.360 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC001255759783 806738968 /nfs/dbraw/zinc/73/89/68/806738968.db2.gz CYXHVRKQWOPRPK-AWEZNQCLSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@@]1(CNc2cccc[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000380908899 799368690 /nfs/dbraw/zinc/36/86/90/799368690.db2.gz JMXYGGUZPRGFSE-SFHVURJKSA-N 2 2 281.403 3.406 20 0 CGADLP C[C@@]1(CNc2cccc[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380908899 799368697 /nfs/dbraw/zinc/36/86/97/799368697.db2.gz JMXYGGUZPRGFSE-SFHVURJKSA-N 2 2 281.403 3.406 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001255839301 806763042 /nfs/dbraw/zinc/76/30/42/806763042.db2.gz UQOCDEIDJHFAKM-ZDUSSCGKSA-N 2 2 283.350 3.194 20 0 CGADLP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)CC(C)(C)[NH3+] ZINC000691952824 799789871 /nfs/dbraw/zinc/78/98/71/799789871.db2.gz MKSWOOJUMMZQAX-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)CC(C)(C)[NH3+] ZINC000691952824 799789873 /nfs/dbraw/zinc/78/98/73/799789873.db2.gz MKSWOOJUMMZQAX-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001255866204 806775494 /nfs/dbraw/zinc/77/54/94/806775494.db2.gz NBUOYWHGCMFVEB-KUHUBIRLSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001255866204 806775498 /nfs/dbraw/zinc/77/54/98/806775498.db2.gz NBUOYWHGCMFVEB-KUHUBIRLSA-N 2 2 298.405 3.142 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001255866270 806775658 /nfs/dbraw/zinc/77/56/58/806775658.db2.gz OFQOKSHKGNZFJI-CYBMUJFWSA-N 2 2 283.350 3.194 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccsc1C(F)(F)F)[NH+](C)C ZINC000704367668 799938001 /nfs/dbraw/zinc/93/80/01/799938001.db2.gz HYGFCNRXPQTHLB-VIFPVBQESA-N 2 2 280.359 3.197 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001255941398 806789886 /nfs/dbraw/zinc/78/98/86/806789886.db2.gz PVEPHXCQLIGSHK-CZUORRHYSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000708861629 799998494 /nfs/dbraw/zinc/99/84/94/799998494.db2.gz INVSDEBPNUJZPL-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000708861629 799998501 /nfs/dbraw/zinc/99/85/01/799998501.db2.gz INVSDEBPNUJZPL-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP CO[C@H](C)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709645537 800011221 /nfs/dbraw/zinc/01/12/21/800011221.db2.gz QRRRKEKUFILKGG-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CO[C@H](C)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709645537 800011227 /nfs/dbraw/zinc/01/12/27/800011227.db2.gz QRRRKEKUFILKGG-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](c1ncccc1F)C1CC1 ZINC001255951339 806795699 /nfs/dbraw/zinc/79/56/99/806795699.db2.gz IZSNXUOTRXXBPN-CJNGLKHVSA-N 2 2 293.430 3.382 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000709867613 800021426 /nfs/dbraw/zinc/02/14/26/800021426.db2.gz JUUMQTFYGLWYBD-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000709867613 800021428 /nfs/dbraw/zinc/02/14/28/800021428.db2.gz JUUMQTFYGLWYBD-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001255953907 806796898 /nfs/dbraw/zinc/79/68/98/806796898.db2.gz WOERUEVKZWZDQS-CZUORRHYSA-N 2 2 293.430 3.382 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH+]1CC(c2ccccc2)C1 ZINC001255966507 806801210 /nfs/dbraw/zinc/80/12/10/806801210.db2.gz LGHSBUFQGDDWEY-HNNXBMFYSA-N 2 2 260.425 3.206 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718093242 800211472 /nfs/dbraw/zinc/21/14/72/800211472.db2.gz RJPKLAFZEDXZRN-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718093242 800211473 /nfs/dbraw/zinc/21/14/73/800211473.db2.gz RJPKLAFZEDXZRN-OLMNPRSZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000721628425 800298541 /nfs/dbraw/zinc/29/85/41/800298541.db2.gz ASOYPKZLAYNCSC-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1CC([NH2+]Cc2nc(C[NH+](C)C)cs2)C[C@H](C)C1 ZINC000722390349 800321351 /nfs/dbraw/zinc/32/13/51/800321351.db2.gz LXAKVRNZWUNZIO-VXGBXAGGSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2CF)CC[N@@H+]1Cc1ccccc1 ZINC001256557223 806914930 /nfs/dbraw/zinc/91/49/30/806914930.db2.gz KSAJVFKBGNCCOI-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H]2CF)CC[N@H+]1Cc1ccccc1 ZINC001256557223 806914933 /nfs/dbraw/zinc/91/49/33/806914933.db2.gz KSAJVFKBGNCCOI-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557223 806914940 /nfs/dbraw/zinc/91/49/40/806914940.db2.gz KSAJVFKBGNCCOI-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557223 806914945 /nfs/dbraw/zinc/91/49/45/806914945.db2.gz KSAJVFKBGNCCOI-BPQIPLTHSA-N 2 2 290.426 3.473 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001256576632 806921652 /nfs/dbraw/zinc/92/16/52/806921652.db2.gz OEJATOJONOJSTK-UHFFFAOYSA-N 2 2 275.440 3.085 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001256576632 806921656 /nfs/dbraw/zinc/92/16/56/806921656.db2.gz OEJATOJONOJSTK-UHFFFAOYSA-N 2 2 275.440 3.085 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])CN1c1[nH+]ccc2cc(Cl)ccc21 ZINC001164463124 806951875 /nfs/dbraw/zinc/95/18/75/806951875.db2.gz XAOBUALVJMPUAI-RYUDHWBXSA-N 2 2 289.810 3.452 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)C1CCCC1 ZINC001116203763 802309913 /nfs/dbraw/zinc/30/99/13/802309913.db2.gz XDYRYUCONGKXST-GFCCVEGCSA-N 2 2 298.390 3.341 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC001116495426 802365597 /nfs/dbraw/zinc/36/55/97/802365597.db2.gz VCGZDXDAJFHDOI-CABCVRRESA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC001116495426 802365605 /nfs/dbraw/zinc/36/56/05/802365605.db2.gz VCGZDXDAJFHDOI-CABCVRRESA-N 2 2 288.435 3.147 20 0 CGADLP CCOCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172430162 808308335 /nfs/dbraw/zinc/30/83/35/808308335.db2.gz FQMYVSABUNTVPG-HNNXBMFYSA-N 2 2 282.472 3.140 20 0 CGADLP CCOCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172430162 808308341 /nfs/dbraw/zinc/30/83/41/808308341.db2.gz FQMYVSABUNTVPG-HNNXBMFYSA-N 2 2 282.472 3.140 20 0 CGADLP CC[C@@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001117750508 802487190 /nfs/dbraw/zinc/48/71/90/802487190.db2.gz HGDFJHSYNNKPSS-KGLIPLIRSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH+]ccn1CCNc1[nH+]ccc2ccc(C)cc21 ZINC001120953803 802797103 /nfs/dbraw/zinc/79/71/03/802797103.db2.gz QVAYLJKZHGVROO-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2csc(Cl)c2)CC1 ZINC001205280645 812928813 /nfs/dbraw/zinc/92/88/13/812928813.db2.gz FDSUNVRKORSKGU-GFCCVEGCSA-N 2 2 258.818 3.105 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205280645 812928821 /nfs/dbraw/zinc/92/88/21/812928821.db2.gz FDSUNVRKORSKGU-GFCCVEGCSA-N 2 2 258.818 3.105 20 0 CGADLP [NH3+]CCOc1cccc(-c2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001244322513 803302904 /nfs/dbraw/zinc/30/29/04/803302904.db2.gz RSPSKQYIBDKPNN-UHFFFAOYSA-N 2 2 297.402 3.076 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137157438 803690398 /nfs/dbraw/zinc/69/03/98/803690398.db2.gz YBQWUEMMDHDRNA-UHFFFAOYSA-N 2 2 266.454 3.363 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4cc(C)ccc4[nH]3)C[C@H]2C1 ZINC001138416755 803923090 /nfs/dbraw/zinc/92/30/90/803923090.db2.gz CPMDCQDXGUIURC-IAGOWNOFSA-N 2 2 297.446 3.250 20 0 CGADLP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C[NH3+])c1ccccc1)C2 ZINC001246074498 804114932 /nfs/dbraw/zinc/11/49/32/804114932.db2.gz DWJFVADPFXASQH-MJGOQNOKSA-N 2 2 280.415 3.142 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C[NH2+]1 ZINC001246078054 804115410 /nfs/dbraw/zinc/11/54/10/804115410.db2.gz ZLDGGQGZTLLZLK-ATZDWAIDSA-N 2 2 280.415 3.310 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246080326 804117376 /nfs/dbraw/zinc/11/73/76/804117376.db2.gz FJUYJZCMKNCMSF-HZMVEIRTSA-N 2 2 276.399 3.002 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246089419 804122220 /nfs/dbraw/zinc/12/22/20/804122220.db2.gz DYZPXHMIGNCGNK-QZWWFDLISA-N 2 2 276.399 3.002 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246092201 804124197 /nfs/dbraw/zinc/12/41/97/804124197.db2.gz GIAZJMQUPCFKKL-HOTGVXAUSA-N 2 2 270.461 3.094 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001139155611 804143116 /nfs/dbraw/zinc/14/31/16/804143116.db2.gz SNCSSKODJGBHMJ-VQIMIIECSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001139155611 804143118 /nfs/dbraw/zinc/14/31/18/804143118.db2.gz SNCSSKODJGBHMJ-VQIMIIECSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001139155611 804143123 /nfs/dbraw/zinc/14/31/23/804143123.db2.gz SNCSSKODJGBHMJ-VQIMIIECSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001139155611 804143126 /nfs/dbraw/zinc/14/31/26/804143126.db2.gz SNCSSKODJGBHMJ-VQIMIIECSA-N 2 2 297.446 3.187 20 0 CGADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC001246142780 804164970 /nfs/dbraw/zinc/16/49/70/804164970.db2.gz OZLVEKWOJYRKEB-SJORKVTESA-N 2 2 270.420 3.402 20 0 CGADLP CCCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360184 804183892 /nfs/dbraw/zinc/18/38/92/804183892.db2.gz KAPBBANNBCTBPF-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246175227 804189556 /nfs/dbraw/zinc/18/95/56/804189556.db2.gz IRPLTMDFNHKNJH-INIZCTEOSA-N 2 2 260.425 3.216 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1Cl ZINC001246232464 804225287 /nfs/dbraw/zinc/22/52/87/804225287.db2.gz JLVHGWZZJQTCAO-VIFPVBQESA-N 2 2 294.748 3.446 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1C(C)C ZINC001139616229 804227948 /nfs/dbraw/zinc/22/79/48/804227948.db2.gz FCDORSLAYSGMGX-UHFFFAOYSA-N 2 2 290.451 3.345 20 0 CGADLP CCCCCC[C@H](CCCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238516 804229996 /nfs/dbraw/zinc/22/99/96/804229996.db2.gz FWGNCQKVONYBBF-JYJNAYRXSA-N 2 2 270.461 3.092 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246274392 804251697 /nfs/dbraw/zinc/25/16/97/804251697.db2.gz WYKAAKQSLSWTOW-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)C[C@H](CC)[NH2+]1 ZINC001246278588 804254830 /nfs/dbraw/zinc/25/48/30/804254830.db2.gz LKGIORHQWVCNOB-FQLMCAECSA-N 2 2 292.398 3.158 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284314 804258422 /nfs/dbraw/zinc/25/84/22/804258422.db2.gz CXIWHUCUKFPYMH-HOTGVXAUSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC001246326137 804283317 /nfs/dbraw/zinc/28/33/17/804283317.db2.gz OCJDXYSJCKUVPC-ZOWXZIJZSA-N 2 2 282.428 3.036 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335190 804290147 /nfs/dbraw/zinc/29/01/47/804290147.db2.gz HBDUOYIZAIIXJJ-IRXDYDNUSA-N 2 2 292.492 3.083 20 0 CGADLP c1ccc2c(c1)cccc2C1([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246350611 804299680 /nfs/dbraw/zinc/29/96/80/804299680.db2.gz RMTQUULWKPDRCY-HNNXBMFYSA-N 2 2 266.388 3.171 20 0 CGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2F)CC[NH2+]1 ZINC001246355858 804300853 /nfs/dbraw/zinc/30/08/53/804300853.db2.gz FHRMGRZSMODPST-GJZGRUSLSA-N 2 2 294.414 3.235 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C[NH2+]1 ZINC001246410148 804323571 /nfs/dbraw/zinc/32/35/71/804323571.db2.gz XXFYNKAJTWCIAY-HIFRSBDPSA-N 2 2 294.389 3.431 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC001246509867 804368186 /nfs/dbraw/zinc/36/81/86/804368186.db2.gz JWRDEFYUAQSAHE-CXUGXGMPSA-N 2 2 276.424 3.109 20 0 CGADLP CC[N@H+](C1CC1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246524477 804378766 /nfs/dbraw/zinc/37/87/66/804378766.db2.gz RPYOLKPKHKKTFY-RDJZCZTQSA-N 2 2 276.399 3.412 20 0 CGADLP CC[N@@H+](C1CC1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246524477 804378773 /nfs/dbraw/zinc/37/87/73/804378773.db2.gz RPYOLKPKHKKTFY-RDJZCZTQSA-N 2 2 276.399 3.412 20 0 CGADLP Clc1ccc2c(c1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246535908 804386745 /nfs/dbraw/zinc/38/67/45/804386745.db2.gz BACCGIHXPSAIJL-FVQHAEBGSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)CC2 ZINC001246535908 804386751 /nfs/dbraw/zinc/38/67/51/804386751.db2.gz BACCGIHXPSAIJL-FVQHAEBGSA-N 2 2 290.838 3.371 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)C[C@H](C)[NH2+]1 ZINC001246542697 804390012 /nfs/dbraw/zinc/39/00/12/804390012.db2.gz XJNMISQMIGPKPC-DRXBFXEBSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)C[C@H](C)[NH2+]1 ZINC001246542697 804390021 /nfs/dbraw/zinc/39/00/21/804390021.db2.gz XJNMISQMIGPKPC-DRXBFXEBSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548415 804399423 /nfs/dbraw/zinc/39/94/23/804399423.db2.gz TYHPWFKEWCRBGM-OBJOEFQTSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246548415 804399431 /nfs/dbraw/zinc/39/94/31/804399431.db2.gz TYHPWFKEWCRBGM-OBJOEFQTSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560175 804408387 /nfs/dbraw/zinc/40/83/87/804408387.db2.gz UUCYPBNIPMRGFM-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560175 804408390 /nfs/dbraw/zinc/40/83/90/804408390.db2.gz UUCYPBNIPMRGFM-QFBILLFUSA-N 2 2 295.430 3.224 20 0 CGADLP Nc1[nH+]cccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001212391040 815016582 /nfs/dbraw/zinc/01/65/82/815016582.db2.gz DIVOSOHMWJDUOM-UHFFFAOYSA-N 2 2 262.316 3.469 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610285 804445000 /nfs/dbraw/zinc/44/50/00/804445000.db2.gz OZOUBWYEULYYQX-DLBZAZTESA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610285 804445004 /nfs/dbraw/zinc/44/50/04/804445004.db2.gz OZOUBWYEULYYQX-DLBZAZTESA-N 2 2 290.838 3.025 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246620292 804454060 /nfs/dbraw/zinc/45/40/60/804454060.db2.gz RITISQOZXZLLQL-AFTVQHQSSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246620292 804454062 /nfs/dbraw/zinc/45/40/62/804454062.db2.gz RITISQOZXZLLQL-AFTVQHQSSA-N 2 2 284.447 3.382 20 0 CGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707472 804493218 /nfs/dbraw/zinc/49/32/18/804493218.db2.gz MYWGQCVJJHIHNI-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707472 804493223 /nfs/dbraw/zinc/49/32/23/804493223.db2.gz MYWGQCVJJHIHNI-UHFFFAOYSA-N 2 2 283.419 3.111 20 0 CGADLP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802425 804521389 /nfs/dbraw/zinc/52/13/89/804521389.db2.gz VJOSITVBOYKWEC-JTQLQIEISA-N 2 2 265.307 3.040 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802425 804521391 /nfs/dbraw/zinc/52/13/91/804521391.db2.gz VJOSITVBOYKWEC-JTQLQIEISA-N 2 2 265.307 3.040 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246802827 804523663 /nfs/dbraw/zinc/52/36/63/804523663.db2.gz XHKWBFLODSMHSK-CVEARBPZSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246802827 804523670 /nfs/dbraw/zinc/52/36/70/804523670.db2.gz XHKWBFLODSMHSK-CVEARBPZSA-N 2 2 262.372 3.105 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246810197 804527024 /nfs/dbraw/zinc/52/70/24/804527024.db2.gz ZORAFZDOBYLVFT-KYJSFNMBSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246810197 804527029 /nfs/dbraw/zinc/52/70/29/804527029.db2.gz ZORAFZDOBYLVFT-KYJSFNMBSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246845169 804554448 /nfs/dbraw/zinc/55/44/48/804554448.db2.gz LIFWSPVHTRZSLU-HZMVEIRTSA-N 2 2 282.472 3.390 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246845169 804554453 /nfs/dbraw/zinc/55/44/53/804554453.db2.gz LIFWSPVHTRZSLU-HZMVEIRTSA-N 2 2 282.472 3.390 20 0 CGADLP F[C@@H]1CCC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141047177 804578966 /nfs/dbraw/zinc/57/89/66/804578966.db2.gz YYIMXNYKSWKTOX-OAHLLOKOSA-N 2 2 287.382 3.439 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH+]2C3CCCC2CCC3)CC[NH2+]1 ZINC001246905152 804590457 /nfs/dbraw/zinc/59/04/57/804590457.db2.gz LGEORZVJDWMKHB-FJBKBRRZSA-N 2 2 250.430 3.170 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)c1 ZINC001246927055 804603822 /nfs/dbraw/zinc/60/38/22/804603822.db2.gz FTBCSDVFUIGXCI-USXIJHARSA-N 2 2 288.435 3.015 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C2)c1 ZINC001246927055 804603826 /nfs/dbraw/zinc/60/38/26/804603826.db2.gz FTBCSDVFUIGXCI-USXIJHARSA-N 2 2 288.435 3.015 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001246940569 804610196 /nfs/dbraw/zinc/61/01/96/804610196.db2.gz WZGKFBVFBIQEQP-DZKIICNBSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001246940569 804610201 /nfs/dbraw/zinc/61/02/01/804610201.db2.gz WZGKFBVFBIQEQP-DZKIICNBSA-N 2 2 278.465 3.287 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956951 804617755 /nfs/dbraw/zinc/61/77/55/804617755.db2.gz BIVPJOFNBYPINK-CGTJXYLNSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246956951 804617763 /nfs/dbraw/zinc/61/77/63/804617763.db2.gz BIVPJOFNBYPINK-CGTJXYLNSA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246964298 804619308 /nfs/dbraw/zinc/61/93/08/804619308.db2.gz RZIRUZXXEJKWAH-IRXDYDNUSA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246964298 804619312 /nfs/dbraw/zinc/61/93/12/804619312.db2.gz RZIRUZXXEJKWAH-IRXDYDNUSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963473 804619690 /nfs/dbraw/zinc/61/96/90/804619690.db2.gz KSQZBWONPAGHTC-BPQIPLTHSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963473 804619695 /nfs/dbraw/zinc/61/96/95/804619695.db2.gz KSQZBWONPAGHTC-BPQIPLTHSA-N 2 2 287.451 3.214 20 0 CGADLP CC(C)[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141241935 804622634 /nfs/dbraw/zinc/62/26/34/804622634.db2.gz PBJQZQRZLCOAMY-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141241935 804622638 /nfs/dbraw/zinc/62/26/38/804622638.db2.gz PBJQZQRZLCOAMY-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP COc1cc(C)cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001143150804 804811614 /nfs/dbraw/zinc/81/16/14/804811614.db2.gz WHRWEZVOBWOCRK-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1noc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc12 ZINC001248709126 804973267 /nfs/dbraw/zinc/97/32/67/804973267.db2.gz SHXZEAXKHNRYQR-UHFFFAOYSA-N 2 2 296.374 3.170 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001144487328 804994508 /nfs/dbraw/zinc/99/45/08/804994508.db2.gz HPGHUCCFDBNZTC-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001144487328 804994514 /nfs/dbraw/zinc/99/45/14/804994514.db2.gz HPGHUCCFDBNZTC-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C(C)(C)C)c[nH]3)C[C@@H]2C1 ZINC001249480026 805159181 /nfs/dbraw/zinc/15/91/81/805159181.db2.gz CMYZEJPVRFKSAN-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C(C)(C)C)c[nH]3)C[C@@H]2C1 ZINC001249480026 805159186 /nfs/dbraw/zinc/15/91/86/805159186.db2.gz CMYZEJPVRFKSAN-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@@H]2C1 ZINC001249480026 805159191 /nfs/dbraw/zinc/15/91/91/805159191.db2.gz CMYZEJPVRFKSAN-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)c[nH]3)C[C@@H]2C1 ZINC001249480026 805159194 /nfs/dbraw/zinc/15/91/94/805159194.db2.gz CMYZEJPVRFKSAN-GASCZTMLSA-N 2 2 289.467 3.086 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001154975023 805516557 /nfs/dbraw/zinc/51/65/57/805516557.db2.gz GPWJVHCPUMJGAP-HZPDHXFCSA-N 2 2 267.376 3.430 20 0 CGADLP Fc1cccc2c1ccnc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057944 805530155 /nfs/dbraw/zinc/53/01/55/805530155.db2.gz PHXSUFOKSUUIMD-UHFFFAOYSA-N 2 2 296.349 3.027 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155086755 805537880 /nfs/dbraw/zinc/53/78/80/805537880.db2.gz FUYZGBBPNOQJBA-GOSISDBHSA-N 2 2 293.414 3.118 20 0 CGADLP Cc1cc(C)[nH+]c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c1 ZINC001155086755 805537887 /nfs/dbraw/zinc/53/78/87/805537887.db2.gz FUYZGBBPNOQJBA-GOSISDBHSA-N 2 2 293.414 3.118 20 0 CGADLP c1cc(C2CC2)[nH+]c(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165322062 806993919 /nfs/dbraw/zinc/99/39/19/806993919.db2.gz DKYWQQODECFNGY-QGZVFWFLSA-N 2 2 285.435 3.318 20 0 CGADLP Cc1cc(Cl)c(C)c(N2CCCCC23CC[NH2+]CC3)[nH+]1 ZINC001165339330 806997941 /nfs/dbraw/zinc/99/79/41/806997941.db2.gz WXTLSHSQTZFUNP-UHFFFAOYSA-N 2 2 293.842 3.464 20 0 CGADLP Cc1ccc(N(C2CCCCC2)C2CC[NH2+]CC2)[nH+]c1 ZINC001257467704 807171560 /nfs/dbraw/zinc/17/15/60/807171560.db2.gz ZQOYLXRQGASVKM-UHFFFAOYSA-N 2 2 273.424 3.281 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC001258013861 807267478 /nfs/dbraw/zinc/26/74/78/807267478.db2.gz YHKRYIWXLVVKQU-UHFFFAOYSA-N 2 2 278.465 3.227 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC001258013861 807267482 /nfs/dbraw/zinc/26/74/82/807267482.db2.gz YHKRYIWXLVVKQU-UHFFFAOYSA-N 2 2 278.465 3.227 20 0 CGADLP COc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)[nH+]cc1C ZINC001212695635 815105059 /nfs/dbraw/zinc/10/50/59/815105059.db2.gz OBJAQKUZBRNFHE-UHFFFAOYSA-N 2 2 294.358 3.387 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258063447 807283815 /nfs/dbraw/zinc/28/38/15/807283815.db2.gz MWSVDUWNRDGRKE-LSDHHAIUSA-N 2 2 254.462 3.473 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258063447 807283821 /nfs/dbraw/zinc/28/38/21/807283821.db2.gz MWSVDUWNRDGRKE-LSDHHAIUSA-N 2 2 254.462 3.473 20 0 CGADLP Cc1c2[nH+]c[nH]c2ccc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167993512 807292677 /nfs/dbraw/zinc/29/26/77/807292677.db2.gz YPJDWEVYNQPVSJ-UHFFFAOYSA-N 2 2 283.310 3.042 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258084761 807297379 /nfs/dbraw/zinc/29/73/79/807297379.db2.gz AQMCHEYLRZMCCL-CVEARBPZSA-N 2 2 252.446 3.441 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258084761 807297382 /nfs/dbraw/zinc/29/73/82/807297382.db2.gz AQMCHEYLRZMCCL-CVEARBPZSA-N 2 2 252.446 3.441 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258157055 807325491 /nfs/dbraw/zinc/32/54/91/807325491.db2.gz YPOKKDTWINHZSU-XUWVNRHRSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258157055 807325499 /nfs/dbraw/zinc/32/54/99/807325499.db2.gz YPOKKDTWINHZSU-XUWVNRHRSA-N 2 2 252.446 3.131 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001168387266 807398960 /nfs/dbraw/zinc/39/89/60/807398960.db2.gz AZPRRIYGGMDMJJ-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001168387266 807398968 /nfs/dbraw/zinc/39/89/68/807398968.db2.gz AZPRRIYGGMDMJJ-DOTOQJQBSA-N 2 2 262.441 3.125 20 0 CGADLP C[C@H](Cc1cccc(F)c1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001168498501 807436490 /nfs/dbraw/zinc/43/64/90/807436490.db2.gz SFAGSGJPGDJDRA-UKRRQHHQSA-N 2 2 287.382 3.293 20 0 CGADLP Cc1cc(N2C[C@@H](CC[NH3+])c3ccccc32)c[nH+]c1C ZINC001168550824 807444204 /nfs/dbraw/zinc/44/42/04/807444204.db2.gz WNNXZEHLDNUTLR-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP CCCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258435569 807449391 /nfs/dbraw/zinc/44/93/91/807449391.db2.gz XQUOWDXZFZHVPO-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP CCCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258435569 807449396 /nfs/dbraw/zinc/44/93/96/807449396.db2.gz XQUOWDXZFZHVPO-CVEARBPZSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1c[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c2[nH]ccc21 ZINC001168596550 807452785 /nfs/dbraw/zinc/45/27/85/807452785.db2.gz LUDPLQLCQNQWPJ-KBPBESRZSA-N 2 2 272.396 3.156 20 0 CGADLP Cc1[nH+]cn([C@H]2CCC(C)(C)C2)c1CSCC[NH3+] ZINC001258596424 807495634 /nfs/dbraw/zinc/49/56/34/807495634.db2.gz ZRRSSMWMYYEPAN-LBPRGKRZSA-N 2 2 267.442 3.135 20 0 CGADLP Cc1cc(NCC(C)(C)C[NH+](C)C)[nH+]cc1C(F)(F)F ZINC001168764736 807507536 /nfs/dbraw/zinc/50/75/36/807507536.db2.gz ZIMQBDWFFUFXSU-UHFFFAOYSA-N 2 2 289.345 3.409 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258657880 807527198 /nfs/dbraw/zinc/52/71/98/807527198.db2.gz VNUDMPPTRBDVQQ-KRWDZBQOSA-N 2 2 283.419 3.419 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258657880 807527203 /nfs/dbraw/zinc/52/72/03/807527203.db2.gz VNUDMPPTRBDVQQ-KRWDZBQOSA-N 2 2 283.419 3.419 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001169094017 807573135 /nfs/dbraw/zinc/57/31/35/807573135.db2.gz KCBBLWZNOJDJPQ-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C2 ZINC001169094017 807573138 /nfs/dbraw/zinc/57/31/38/807573138.db2.gz KCBBLWZNOJDJPQ-ZSOGYDGISA-N 2 2 282.790 3.194 20 0 CGADLP CC[N@H+](Cc1ccccc1F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144151 807589973 /nfs/dbraw/zinc/58/99/73/807589973.db2.gz JXGHDHPOSBGRHZ-ZSHCYNCHSA-N 2 2 276.399 3.273 20 0 CGADLP CC[N@@H+](Cc1ccccc1F)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144151 807589982 /nfs/dbraw/zinc/58/99/82/807589982.db2.gz JXGHDHPOSBGRHZ-ZSHCYNCHSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144151 807589988 /nfs/dbraw/zinc/58/99/88/807589988.db2.gz JXGHDHPOSBGRHZ-ZSHCYNCHSA-N 2 2 276.399 3.273 20 0 CGADLP CC[NH+](Cc1ccccc1F)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144151 807589992 /nfs/dbraw/zinc/58/99/92/807589992.db2.gz JXGHDHPOSBGRHZ-ZSHCYNCHSA-N 2 2 276.399 3.273 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258764505 807601688 /nfs/dbraw/zinc/60/16/88/807601688.db2.gz SWBMKSIQRZLWCM-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258764505 807601693 /nfs/dbraw/zinc/60/16/93/807601693.db2.gz SWBMKSIQRZLWCM-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP CCC[NH+]1CCC([NH+]2C3CCCC2CCC3)CC1 ZINC001258777365 807606984 /nfs/dbraw/zinc/60/69/84/807606984.db2.gz SERXJLCQFYHOGT-UHFFFAOYSA-N 2 2 250.430 3.268 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258837094 807650668 /nfs/dbraw/zinc/65/06/68/807650668.db2.gz GHXAPVHIIAUZFW-GOSISDBHSA-N 2 2 296.499 3.244 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001258837094 807650672 /nfs/dbraw/zinc/65/06/72/807650672.db2.gz GHXAPVHIIAUZFW-GOSISDBHSA-N 2 2 296.499 3.244 20 0 CGADLP Cc1ccc(N([C@H]2CC[C@H](C)C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001170160432 807781353 /nfs/dbraw/zinc/78/13/53/807781353.db2.gz ZFENINSJZASPHK-BBRMVZONSA-N 2 2 273.424 3.137 20 0 CGADLP CC[C@H]1C[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001170194142 807791776 /nfs/dbraw/zinc/79/17/76/807791776.db2.gz VPGAPVZEPGFVGE-HOTGVXAUSA-N 2 2 285.391 3.139 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170287338 807816060 /nfs/dbraw/zinc/81/60/60/807816060.db2.gz HRHDQLIQTIVFHK-YSVLISHTSA-N 2 2 292.854 3.155 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170287338 807816069 /nfs/dbraw/zinc/81/60/69/807816069.db2.gz HRHDQLIQTIVFHK-YSVLISHTSA-N 2 2 292.854 3.155 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([NH2+]CC3C[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001170715892 807882051 /nfs/dbraw/zinc/88/20/51/807882051.db2.gz MPKHZRCTSMTJSU-BCDXTJNWSA-N 2 2 284.447 3.143 20 0 CGADLP Fc1cccc2c1C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001170948255 807941611 /nfs/dbraw/zinc/94/16/11/807941611.db2.gz DLOQAOOGOFBUQY-INIZCTEOSA-N 2 2 290.426 3.149 20 0 CGADLP Fc1cccc2c1C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001170978185 807950220 /nfs/dbraw/zinc/95/02/20/807950220.db2.gz UBKHQCBNGCTZIA-OAHLLOKOSA-N 2 2 295.361 3.121 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171013316 807960383 /nfs/dbraw/zinc/96/03/83/807960383.db2.gz SWLRCGZXIOUYIT-GJZGRUSLSA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171013316 807960388 /nfs/dbraw/zinc/96/03/88/807960388.db2.gz SWLRCGZXIOUYIT-GJZGRUSLSA-N 2 2 292.854 3.271 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092930 807981449 /nfs/dbraw/zinc/98/14/49/807981449.db2.gz BJEQWPZYXRVQKD-IAGOWNOFSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092930 807981455 /nfs/dbraw/zinc/98/14/55/807981455.db2.gz BJEQWPZYXRVQKD-IAGOWNOFSA-N 2 2 292.854 3.270 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(Cl)n2)CC1(C)C ZINC001171621438 808106892 /nfs/dbraw/zinc/10/68/92/808106892.db2.gz LERJFTCGQZCOKI-UHFFFAOYSA-N 2 2 295.858 3.476 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001172098606 808170879 /nfs/dbraw/zinc/17/08/79/808170879.db2.gz AZHLMZBNRGNYSG-CLLJXQQHSA-N 2 2 280.362 3.070 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC001172098606 808170883 /nfs/dbraw/zinc/17/08/83/808170883.db2.gz AZHLMZBNRGNYSG-CLLJXQQHSA-N 2 2 280.362 3.070 20 0 CGADLP C[N@H+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088864 808170954 /nfs/dbraw/zinc/17/09/54/808170954.db2.gz OYIIBLFKOGEMOC-PIIMJCKOSA-N 2 2 290.426 3.473 20 0 CGADLP C[N@@H+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172088864 808170957 /nfs/dbraw/zinc/17/09/57/808170957.db2.gz OYIIBLFKOGEMOC-PIIMJCKOSA-N 2 2 290.426 3.473 20 0 CGADLP C[NH+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172088864 808170959 /nfs/dbraw/zinc/17/09/59/808170959.db2.gz OYIIBLFKOGEMOC-PIIMJCKOSA-N 2 2 290.426 3.473 20 0 CGADLP C[NH+](CCF)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172088864 808170960 /nfs/dbraw/zinc/17/09/60/808170960.db2.gz OYIIBLFKOGEMOC-PIIMJCKOSA-N 2 2 290.426 3.473 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001172328189 808235446 /nfs/dbraw/zinc/23/54/46/808235446.db2.gz OUDOPNIJYRCNMR-OLZOCXBDSA-N 2 2 299.484 3.150 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360945 808254987 /nfs/dbraw/zinc/25/49/87/808254987.db2.gz LIQGFFKPXNWAGI-JKSUJKDBSA-N 2 2 284.488 3.385 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360945 808254994 /nfs/dbraw/zinc/25/49/94/808254994.db2.gz LIQGFFKPXNWAGI-JKSUJKDBSA-N 2 2 284.488 3.385 20 0 CGADLP CCOCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172411639 808298818 /nfs/dbraw/zinc/29/88/18/808298818.db2.gz QOSJUNMIMXUXJR-AEFFLSMTSA-N 2 2 290.451 3.228 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551347 808379901 /nfs/dbraw/zinc/37/99/01/808379901.db2.gz OGZFVUOZRMSWRG-FGTMMUONSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551347 808379909 /nfs/dbraw/zinc/37/99/09/808379909.db2.gz OGZFVUOZRMSWRG-FGTMMUONSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172648023 808407629 /nfs/dbraw/zinc/40/76/29/808407629.db2.gz SOWKMCQZHXXZRG-OAHLLOKOSA-N 2 2 296.499 3.433 20 0 CGADLP C[NH+](C)Cc1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213030906 815204849 /nfs/dbraw/zinc/20/48/49/815204849.db2.gz WSZZOWKGZSWAOE-UHFFFAOYSA-N 2 2 266.348 3.368 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC001172838975 808455043 /nfs/dbraw/zinc/45/50/43/808455043.db2.gz NQCUCVSLWYIBDI-GFCCVEGCSA-N 2 2 295.789 3.287 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172858132 808464217 /nfs/dbraw/zinc/46/42/17/808464217.db2.gz CHMRHBNEJHNIRL-IUODEOHRSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172858132 808464220 /nfs/dbraw/zinc/46/42/20/808464220.db2.gz CHMRHBNEJHNIRL-IUODEOHRSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001172876239 808473769 /nfs/dbraw/zinc/47/37/69/808473769.db2.gz XUOSUBMNUPUAIF-DGCLKSJQSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001172876239 808473771 /nfs/dbraw/zinc/47/37/71/808473771.db2.gz XUOSUBMNUPUAIF-DGCLKSJQSA-N 2 2 284.856 3.244 20 0 CGADLP Cc1[nH+]cn(C2CCC(Oc3ccccc3)CC2)c1CC[NH3+] ZINC001173197139 808534888 /nfs/dbraw/zinc/53/48/88/808534888.db2.gz CISJVJPKHWSDRN-UHFFFAOYSA-N 2 2 299.418 3.255 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282067 808583896 /nfs/dbraw/zinc/58/38/96/808583896.db2.gz CTJRVWQSIACWEU-PMPSAXMXSA-N 2 2 274.408 3.422 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001173282067 808583900 /nfs/dbraw/zinc/58/39/00/808583900.db2.gz CTJRVWQSIACWEU-PMPSAXMXSA-N 2 2 274.408 3.422 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444432 809409219 /nfs/dbraw/zinc/40/92/19/809409219.db2.gz JASXNXIQFKCLRW-KBRIMQKVSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444432 809409220 /nfs/dbraw/zinc/40/92/20/809409220.db2.gz JASXNXIQFKCLRW-KBRIMQKVSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444432 809409226 /nfs/dbraw/zinc/40/92/26/809409226.db2.gz JASXNXIQFKCLRW-KBRIMQKVSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444432 809409231 /nfs/dbraw/zinc/40/92/31/809409231.db2.gz JASXNXIQFKCLRW-KBRIMQKVSA-N 2 2 290.838 3.353 20 0 CGADLP Cc1cn2cc(Nc3c[nH+]cc(C)c3C)ccc2[nH+]1 ZINC001213527590 815298827 /nfs/dbraw/zinc/29/88/27/815298827.db2.gz UXQNOWBVPUJDLR-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP C[NH+](C)CCOc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001176224203 809650411 /nfs/dbraw/zinc/65/04/11/809650411.db2.gz UMCJIJIIAXXXCZ-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP C[C@H]1C[NH+](CCC[NH2+]CC2CCC(C)(C)CC2)C[C@H](C)O1 ZINC001177166399 809784307 /nfs/dbraw/zinc/78/43/07/809784307.db2.gz PDFCNGYMDYBKOW-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001182864618 810128280 /nfs/dbraw/zinc/12/82/80/810128280.db2.gz JWNNCKJWSUTVGC-RBSFLKMASA-N 2 2 296.499 3.431 20 0 CGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001182864618 810128282 /nfs/dbraw/zinc/12/82/82/810128282.db2.gz JWNNCKJWSUTVGC-RBSFLKMASA-N 2 2 296.499 3.431 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC001183498542 810150603 /nfs/dbraw/zinc/15/06/03/810150603.db2.gz GKEYFKDLIBUKRW-YJBOKZPZSA-N 2 2 292.386 3.370 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185203010 810244998 /nfs/dbraw/zinc/24/49/98/810244998.db2.gz BVTBEYAJUSGESC-CYBMUJFWSA-N 2 2 297.406 3.025 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185203010 810245004 /nfs/dbraw/zinc/24/50/04/810245004.db2.gz BVTBEYAJUSGESC-CYBMUJFWSA-N 2 2 297.406 3.025 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC001199268389 811567749 /nfs/dbraw/zinc/56/77/49/811567749.db2.gz WWJZMQTWNBTVBN-BHYGNILZSA-N 2 2 264.457 3.300 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC001199268389 811567751 /nfs/dbraw/zinc/56/77/51/811567751.db2.gz WWJZMQTWNBTVBN-BHYGNILZSA-N 2 2 264.457 3.300 20 0 CGADLP c1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001201594451 811917128 /nfs/dbraw/zinc/91/71/28/811917128.db2.gz CKSZCQAEYHXBNG-UHFFFAOYSA-N 2 2 282.387 3.168 20 0 CGADLP CSCCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201697942 811939314 /nfs/dbraw/zinc/93/93/14/811939314.db2.gz TWMGELQRDOYMQA-UHFFFAOYSA-N 2 2 270.486 3.078 20 0 CGADLP CSCCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201697942 811939319 /nfs/dbraw/zinc/93/93/19/811939319.db2.gz TWMGELQRDOYMQA-UHFFFAOYSA-N 2 2 270.486 3.078 20 0 CGADLP FC1CC[NH+](C2CC[NH+](CCCC(F)(F)F)CC2)CC1 ZINC001202425164 812089114 /nfs/dbraw/zinc/08/91/14/812089114.db2.gz XIPKIYCGUUVJJX-UHFFFAOYSA-N 2 2 296.352 3.227 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203897634 812486903 /nfs/dbraw/zinc/48/69/03/812486903.db2.gz AVIROUCOVIALFD-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204938883 812786538 /nfs/dbraw/zinc/78/65/38/812786538.db2.gz OFJNSGOELDDIFZ-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204938883 812786542 /nfs/dbraw/zinc/78/65/42/812786542.db2.gz OFJNSGOELDDIFZ-QGZVFWFLSA-N 2 2 260.425 3.297 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001204940266 812787738 /nfs/dbraw/zinc/78/77/38/812787738.db2.gz XAVBELUKYVQTQJ-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001204940266 812787746 /nfs/dbraw/zinc/78/77/46/812787746.db2.gz XAVBELUKYVQTQJ-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204945065 812791144 /nfs/dbraw/zinc/79/11/44/812791144.db2.gz FCNPIPSYFZMMSO-GOSISDBHSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204945065 812791147 /nfs/dbraw/zinc/79/11/47/812791147.db2.gz FCNPIPSYFZMMSO-GOSISDBHSA-N 2 2 290.451 3.404 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2Cl)C1 ZINC001205015723 812826889 /nfs/dbraw/zinc/82/68/89/812826889.db2.gz DLGPYAMUQUPSSJ-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2Cl)C1 ZINC001205015723 812826902 /nfs/dbraw/zinc/82/69/02/812826902.db2.gz DLGPYAMUQUPSSJ-ZDUSSCGKSA-N 2 2 266.816 3.080 20 0 CGADLP CCSc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088281 812855369 /nfs/dbraw/zinc/85/53/69/812855369.db2.gz NBZDGPHNNRLMAZ-JSGCOSHPSA-N 2 2 264.438 3.110 20 0 CGADLP CCSc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088281 812855380 /nfs/dbraw/zinc/85/53/80/812855380.db2.gz NBZDGPHNNRLMAZ-JSGCOSHPSA-N 2 2 264.438 3.110 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205124400 812878427 /nfs/dbraw/zinc/87/84/27/812878427.db2.gz QGLPVZQCICFPKK-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205124400 812878437 /nfs/dbraw/zinc/87/84/37/812878437.db2.gz QGLPVZQCICFPKK-GFCCVEGCSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)o1 ZINC001205190958 812903545 /nfs/dbraw/zinc/90/35/45/812903545.db2.gz SOBZWYUGGQQUQS-CZUORRHYSA-N 2 2 270.376 3.177 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)o1 ZINC001205190958 812903549 /nfs/dbraw/zinc/90/35/49/812903549.db2.gz SOBZWYUGGQQUQS-CZUORRHYSA-N 2 2 270.376 3.177 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205197566 812905509 /nfs/dbraw/zinc/90/55/09/812905509.db2.gz SBCGBIICYJYQRW-DNVCBOLYSA-N 2 2 280.415 3.199 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cc2ccccc2)cc1 ZINC001205197566 812905512 /nfs/dbraw/zinc/90/55/12/812905512.db2.gz SBCGBIICYJYQRW-DNVCBOLYSA-N 2 2 280.415 3.199 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318467 812950724 /nfs/dbraw/zinc/95/07/24/812950724.db2.gz UVSQHPCFCUBOLD-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318467 812950729 /nfs/dbraw/zinc/95/07/29/812950729.db2.gz UVSQHPCFCUBOLD-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205332841 812960944 /nfs/dbraw/zinc/96/09/44/812960944.db2.gz URMJZXOMFYYCQL-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001205332841 812960948 /nfs/dbraw/zinc/96/09/48/812960948.db2.gz URMJZXOMFYYCQL-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(F)cc1 ZINC001205651050 813041759 /nfs/dbraw/zinc/04/17/59/813041759.db2.gz ZFXMFXHERLKNLO-MRXNPFEDSA-N 2 2 278.415 3.078 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCc1ccc(F)cc1 ZINC001205651050 813041765 /nfs/dbraw/zinc/04/17/65/813041765.db2.gz ZFXMFXHERLKNLO-MRXNPFEDSA-N 2 2 278.415 3.078 20 0 CGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(C3CC3)c2)CCC1(F)F ZINC001205796517 813082328 /nfs/dbraw/zinc/08/23/28/813082328.db2.gz SDPSNZUVROHASV-ZDUSSCGKSA-N 2 2 298.352 3.119 20 0 CGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCC1(F)F ZINC001205796517 813082339 /nfs/dbraw/zinc/08/23/39/813082339.db2.gz SDPSNZUVROHASV-ZDUSSCGKSA-N 2 2 298.352 3.119 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205829027 813100697 /nfs/dbraw/zinc/10/06/97/813100697.db2.gz NSHQRMGDQZHHIY-XJKSGUPXSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205829027 813100702 /nfs/dbraw/zinc/10/07/02/813100702.db2.gz NSHQRMGDQZHHIY-XJKSGUPXSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2n1 ZINC001205831162 813101578 /nfs/dbraw/zinc/10/15/78/813101578.db2.gz WRTSRPMBOTXBLC-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])ccc2n1 ZINC001205831162 813101580 /nfs/dbraw/zinc/10/15/80/813101580.db2.gz WRTSRPMBOTXBLC-DYVFJYSZSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856863 813109439 /nfs/dbraw/zinc/10/94/39/813109439.db2.gz YTDYRTJKODUNGJ-ZBFHGGJFSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001205856863 813109441 /nfs/dbraw/zinc/10/94/41/813109441.db2.gz YTDYRTJKODUNGJ-ZBFHGGJFSA-N 2 2 290.451 3.423 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205855938 813110287 /nfs/dbraw/zinc/11/02/87/813110287.db2.gz QQMZFUMYCWTSLT-XHDPSFHLSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205855938 813110290 /nfs/dbraw/zinc/11/02/90/813110290.db2.gz QQMZFUMYCWTSLT-XHDPSFHLSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901775 813125328 /nfs/dbraw/zinc/12/53/28/813125328.db2.gz GERDFLWFOGUZJA-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901775 813125331 /nfs/dbraw/zinc/12/53/31/813125331.db2.gz GERDFLWFOGUZJA-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP CC[N@@H+]1CCC[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC001206048336 813180982 /nfs/dbraw/zinc/18/09/82/813180982.db2.gz RWABSVUPTFUTQL-KRWDZBQOSA-N 2 2 298.434 3.385 20 0 CGADLP CC[N@H+]1CCC[C@H](Nc2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC001206048336 813180987 /nfs/dbraw/zinc/18/09/87/813180987.db2.gz RWABSVUPTFUTQL-KRWDZBQOSA-N 2 2 298.434 3.385 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)c1 ZINC001206070794 813190663 /nfs/dbraw/zinc/19/06/63/813190663.db2.gz SCHIGPTXUKXJID-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)c1 ZINC001206070794 813190668 /nfs/dbraw/zinc/19/06/68/813190668.db2.gz SCHIGPTXUKXJID-DNVCBOLYSA-N 2 2 280.415 3.441 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206379178 813308288 /nfs/dbraw/zinc/30/82/88/813308288.db2.gz IVMWIUBVGWDODY-INIZCTEOSA-N 2 2 296.455 3.370 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206379178 813308294 /nfs/dbraw/zinc/30/82/94/813308294.db2.gz IVMWIUBVGWDODY-INIZCTEOSA-N 2 2 296.455 3.370 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001206556255 813351976 /nfs/dbraw/zinc/35/19/76/813351976.db2.gz PPOATPABXABDOO-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001206556255 813351981 /nfs/dbraw/zinc/35/19/81/813351981.db2.gz PPOATPABXABDOO-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cn2)C2CCCC2)CC1 ZINC001207045082 813472448 /nfs/dbraw/zinc/47/24/48/813472448.db2.gz AWVBMEBYMMZPHO-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cn2)C2CCCC2)CC1 ZINC001207045082 813472451 /nfs/dbraw/zinc/47/24/51/813472451.db2.gz AWVBMEBYMMZPHO-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207136705 813495735 /nfs/dbraw/zinc/49/57/35/813495735.db2.gz CSSROIMSPCJOQT-MRXNPFEDSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001207136705 813495741 /nfs/dbraw/zinc/49/57/41/813495741.db2.gz CSSROIMSPCJOQT-MRXNPFEDSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207554801 813594315 /nfs/dbraw/zinc/59/43/15/813594315.db2.gz MSQREBONWPGJHS-GOSISDBHSA-N 2 2 296.414 3.394 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207554801 813594319 /nfs/dbraw/zinc/59/43/19/813594319.db2.gz MSQREBONWPGJHS-GOSISDBHSA-N 2 2 296.414 3.394 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)C[C@H]21 ZINC001207609348 813613695 /nfs/dbraw/zinc/61/36/95/813613695.db2.gz WCVOEFDGKDPCOM-DLBZAZTESA-N 2 2 264.457 3.373 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCCCC3)C[C@H]21 ZINC001207609348 813613698 /nfs/dbraw/zinc/61/36/98/813613698.db2.gz WCVOEFDGKDPCOM-DLBZAZTESA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609348 813613701 /nfs/dbraw/zinc/61/37/01/813613701.db2.gz WCVOEFDGKDPCOM-DLBZAZTESA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3CCCCC3)C[C@H]21 ZINC001207609348 813613702 /nfs/dbraw/zinc/61/37/02/813613702.db2.gz WCVOEFDGKDPCOM-DLBZAZTESA-N 2 2 264.457 3.373 20 0 CGADLP CC(C)[N@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207636209 813625812 /nfs/dbraw/zinc/62/58/12/813625812.db2.gz SMDORQBGXRLQFP-XHSDSOJGSA-N 2 2 262.441 3.003 20 0 CGADLP CC(C)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207636209 813625817 /nfs/dbraw/zinc/62/58/17/813625817.db2.gz SMDORQBGXRLQFP-XHSDSOJGSA-N 2 2 262.441 3.003 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001207823939 813655892 /nfs/dbraw/zinc/65/58/92/813655892.db2.gz NUWIAEHWVGVZOS-ROUUACIJSA-N 2 2 295.430 3.403 20 0 CGADLP CC[N@H+](C[C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207907812 813668707 /nfs/dbraw/zinc/66/87/07/813668707.db2.gz XZYRMOALACWXIH-OAHLLOKOSA-N 2 2 260.425 3.206 20 0 CGADLP CC[N@@H+](C[C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207907812 813668714 /nfs/dbraw/zinc/66/87/14/813668714.db2.gz XZYRMOALACWXIH-OAHLLOKOSA-N 2 2 260.425 3.206 20 0 CGADLP CC(C)[N@H+](CCc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC001209131821 813943679 /nfs/dbraw/zinc/94/36/79/813943679.db2.gz CWFPBAZVEQJXOK-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP CC(C)[N@@H+](CCc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC001209131821 813943683 /nfs/dbraw/zinc/94/36/83/813943683.db2.gz CWFPBAZVEQJXOK-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242696761 823103805 /nfs/dbraw/zinc/10/38/05/823103805.db2.gz WXBILAGITKQJKU-MRXNPFEDSA-N 2 2 285.435 3.488 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)s1 ZINC001210474722 814479482 /nfs/dbraw/zinc/47/94/82/814479482.db2.gz IJXMPYJWRRHCID-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)s1 ZINC001210474722 814479485 /nfs/dbraw/zinc/47/94/85/814479485.db2.gz IJXMPYJWRRHCID-ZDUSSCGKSA-N 2 2 266.454 3.275 20 0 CGADLP Cc1cccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210704486 814588538 /nfs/dbraw/zinc/58/85/38/814588538.db2.gz JIACHIBMYGMGGM-HNNXBMFYSA-N 2 2 257.381 3.334 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc(C)c1F ZINC001222248291 816386323 /nfs/dbraw/zinc/38/63/23/816386323.db2.gz KNCVOFDRGPTGSX-QGZVFWFLSA-N 2 2 276.399 3.161 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc(C)c1F ZINC001222248291 816386330 /nfs/dbraw/zinc/38/63/30/816386330.db2.gz KNCVOFDRGPTGSX-QGZVFWFLSA-N 2 2 276.399 3.161 20 0 CGADLP COc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1C ZINC001222293617 816400137 /nfs/dbraw/zinc/40/01/37/816400137.db2.gz YYUOWROAYZNQTF-UHFFFAOYSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222344847 816413940 /nfs/dbraw/zinc/41/39/40/816413940.db2.gz DTCBEIZANFEABN-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)o1 ZINC001222344847 816413942 /nfs/dbraw/zinc/41/39/42/816413942.db2.gz DTCBEIZANFEABN-RHSMWYFYSA-N 2 2 276.424 3.300 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222346388 816415185 /nfs/dbraw/zinc/41/51/85/816415185.db2.gz RDVMSLHVQHHSKC-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c(C)c1C ZINC001222346388 816415187 /nfs/dbraw/zinc/41/51/87/816415187.db2.gz RDVMSLHVQHHSKC-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP c1csc(-c2ccccc2C[NH+]2CC3(C2)CC[NH2+]C3)c1 ZINC001222379556 816423773 /nfs/dbraw/zinc/42/37/73/816423773.db2.gz CVLBCRDCXCXEAJ-UHFFFAOYSA-N 2 2 284.428 3.210 20 0 CGADLP COc1cc(C)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242980381 823197679 /nfs/dbraw/zinc/19/76/79/823197679.db2.gz CWTSHTORAXQGOS-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(C)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242980381 823197680 /nfs/dbraw/zinc/19/76/80/823197680.db2.gz CWTSHTORAXQGOS-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222464732 816450347 /nfs/dbraw/zinc/45/03/47/816450347.db2.gz DNDVAFAKVVUVDN-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222464732 816450350 /nfs/dbraw/zinc/45/03/50/816450350.db2.gz DNDVAFAKVVUVDN-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP C[NH2+]Cc1ccc(-c2cccc3[nH+]c(C)cn32)cc1 ZINC001242991551 823200849 /nfs/dbraw/zinc/20/08/49/823200849.db2.gz RUOWHJQJWDTZBO-UHFFFAOYSA-N 2 2 251.333 3.029 20 0 CGADLP COc1ccc(-c2c[nH+]cn2C)cc1C[NH+]1CCCCC1 ZINC001243072607 823235895 /nfs/dbraw/zinc/23/58/95/823235895.db2.gz RXCDLJAXEAFPQA-UHFFFAOYSA-N 2 2 285.391 3.082 20 0 CGADLP Cc1[nH]c2ccc(O[C@@H]3CCC[N@@H+](C(C)C)C3)cc2[nH+]1 ZINC001228330505 817879920 /nfs/dbraw/zinc/87/99/20/817879920.db2.gz YSHMYYOECFYMRX-CQSZACIVSA-N 2 2 273.380 3.123 20 0 CGADLP Cc1[nH]c2ccc(O[C@@H]3CCC[N@H+](C(C)C)C3)cc2[nH+]1 ZINC001228330505 817879924 /nfs/dbraw/zinc/87/99/24/817879924.db2.gz YSHMYYOECFYMRX-CQSZACIVSA-N 2 2 273.380 3.123 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(O)c1 ZINC001231735392 818163163 /nfs/dbraw/zinc/16/31/63/818163163.db2.gz PFVYOEZBZOTZRV-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(O)c1 ZINC001231735392 818163170 /nfs/dbraw/zinc/16/31/70/818163170.db2.gz PFVYOEZBZOTZRV-UHFFFAOYSA-N 2 2 284.831 3.209 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001231789953 818176607 /nfs/dbraw/zinc/17/66/07/818176607.db2.gz MUQQXRAOWHFZMO-RTBURBONSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001231789953 818176611 /nfs/dbraw/zinc/17/66/11/818176611.db2.gz MUQQXRAOWHFZMO-RTBURBONSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001231789953 818176616 /nfs/dbraw/zinc/17/66/16/818176616.db2.gz MUQQXRAOWHFZMO-RTBURBONSA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001231789953 818176619 /nfs/dbraw/zinc/17/66/19/818176619.db2.gz MUQQXRAOWHFZMO-RTBURBONSA-N 2 2 286.463 3.411 20 0 CGADLP F[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCC1(F)F ZINC001232011637 818232436 /nfs/dbraw/zinc/23/24/36/818232436.db2.gz NKZSACPGZSFSKW-ZDUSSCGKSA-N 2 2 283.297 3.132 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232426510 818345183 /nfs/dbraw/zinc/34/51/83/818345183.db2.gz NPZLMFVTZDWYOW-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232426510 818345193 /nfs/dbraw/zinc/34/51/93/818345193.db2.gz NPZLMFVTZDWYOW-UHFFFAOYSA-N 2 2 270.367 3.047 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N)cc1Cl ZINC001233377455 818603313 /nfs/dbraw/zinc/60/33/13/818603313.db2.gz FUOYDWLGASAMFN-UHFFFAOYSA-N 2 2 283.847 3.086 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N)cc1Cl ZINC001233377455 818603316 /nfs/dbraw/zinc/60/33/16/818603316.db2.gz FUOYDWLGASAMFN-UHFFFAOYSA-N 2 2 283.847 3.086 20 0 CGADLP COc1cc(C[N@H+](C)C[C@@H]2CC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234075630 818773136 /nfs/dbraw/zinc/77/31/36/818773136.db2.gz MNRADNLXFYNFES-HNNXBMFYSA-N 2 2 299.418 3.359 20 0 CGADLP COc1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1-n1cc[nH+]c1 ZINC001234075630 818773140 /nfs/dbraw/zinc/77/31/40/818773140.db2.gz MNRADNLXFYNFES-HNNXBMFYSA-N 2 2 299.418 3.359 20 0 CGADLP COc1cc(C[N@H+](CC2CC2)C2CC2)ccc1-n1cc[nH+]c1 ZINC001234084222 818775288 /nfs/dbraw/zinc/77/52/88/818775288.db2.gz DKWBDDOTHSPZHY-UHFFFAOYSA-N 2 2 297.402 3.255 20 0 CGADLP COc1cc(C[N@@H+](CC2CC2)C2CC2)ccc1-n1cc[nH+]c1 ZINC001234084222 818775297 /nfs/dbraw/zinc/77/52/97/818775297.db2.gz DKWBDDOTHSPZHY-UHFFFAOYSA-N 2 2 297.402 3.255 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235039080 818986370 /nfs/dbraw/zinc/98/63/70/818986370.db2.gz SRBVTDJARNVBDE-ZYSHUDEJSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235039080 818986374 /nfs/dbraw/zinc/98/63/74/818986374.db2.gz SRBVTDJARNVBDE-ZYSHUDEJSA-N 2 2 286.463 3.425 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041001 818989057 /nfs/dbraw/zinc/98/90/57/818989057.db2.gz WBVJQUDRBKJRKW-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041001 818989062 /nfs/dbraw/zinc/98/90/62/818989062.db2.gz WBVJQUDRBKJRKW-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP c1ccc(C(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c2ccccc2)cc1 ZINC001235078476 818996532 /nfs/dbraw/zinc/99/65/32/818996532.db2.gz VGFDYADXBMUUDS-WOJBJXKFSA-N 2 2 292.426 3.255 20 0 CGADLP c1ccc(C(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c2ccccc2)cc1 ZINC001235078476 818996536 /nfs/dbraw/zinc/99/65/36/818996536.db2.gz VGFDYADXBMUUDS-WOJBJXKFSA-N 2 2 292.426 3.255 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120435 819010678 /nfs/dbraw/zinc/01/06/78/819010678.db2.gz BLSZTJKLEBITAW-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235120435 819010684 /nfs/dbraw/zinc/01/06/84/819010684.db2.gz BLSZTJKLEBITAW-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP c1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)ccnc2c1 ZINC001235175474 819025202 /nfs/dbraw/zinc/02/52/02/819025202.db2.gz WIFLVPPCQRSRQR-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)ccnc2c1 ZINC001235175474 819025211 /nfs/dbraw/zinc/02/52/11/819025211.db2.gz WIFLVPPCQRSRQR-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235199254 819035194 /nfs/dbraw/zinc/03/51/94/819035194.db2.gz WEPLAKGEDFUJFE-VXGBXAGGSA-N 2 2 296.867 3.103 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235199254 819035199 /nfs/dbraw/zinc/03/51/99/819035199.db2.gz WEPLAKGEDFUJFE-VXGBXAGGSA-N 2 2 296.867 3.103 20 0 CGADLP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(Oc4ccccc4)c3)C[C@H]21 ZINC001235210548 819037086 /nfs/dbraw/zinc/03/70/86/819037086.db2.gz LZHAERSTZPMCCV-HWWDLCQESA-N 2 2 298.361 3.007 20 0 CGADLP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(Oc4ccccc4)c3)C[C@H]21 ZINC001235210548 819037093 /nfs/dbraw/zinc/03/70/93/819037093.db2.gz LZHAERSTZPMCCV-HWWDLCQESA-N 2 2 298.361 3.007 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235245454 819046588 /nfs/dbraw/zinc/04/65/88/819046588.db2.gz NHARWOUTUFMNDR-CRAIPNDOSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235245454 819046592 /nfs/dbraw/zinc/04/65/92/819046592.db2.gz NHARWOUTUFMNDR-CRAIPNDOSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1csc2sc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c(C)c12 ZINC001235260234 819055018 /nfs/dbraw/zinc/05/50/18/819055018.db2.gz NUCCRACQVPXQNY-NWDGAFQWSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1csc2sc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c(C)c12 ZINC001235260234 819055023 /nfs/dbraw/zinc/05/50/23/819055023.db2.gz NUCCRACQVPXQNY-NWDGAFQWSA-N 2 2 292.473 3.373 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Cl ZINC001235262940 819055112 /nfs/dbraw/zinc/05/51/12/819055112.db2.gz LXTLBHAQEFWNFX-CABCVRRESA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1Cl ZINC001235262940 819055115 /nfs/dbraw/zinc/05/51/15/819055115.db2.gz LXTLBHAQEFWNFX-CABCVRRESA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235276392 819060792 /nfs/dbraw/zinc/06/07/92/819060792.db2.gz YTTPBPXJWKZSRD-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235276392 819060795 /nfs/dbraw/zinc/06/07/95/819060795.db2.gz YTTPBPXJWKZSRD-SWLSCSKDSA-N 2 2 298.352 3.198 20 0 CGADLP C[N@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001235346818 819075643 /nfs/dbraw/zinc/07/56/43/819075643.db2.gz JNPBFDSQJLYULP-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@@H+](Cc1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001235346818 819075647 /nfs/dbraw/zinc/07/56/47/819075647.db2.gz JNPBFDSQJLYULP-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP Clc1cccc2c(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c[nH]c21 ZINC001235712035 819148235 /nfs/dbraw/zinc/14/82/35/819148235.db2.gz YGJQYQQYWXPWRX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1cccc2c(C[N@H+]3CCCC4(C[NH2+]C4)C3)c[nH]c21 ZINC001235712035 819148237 /nfs/dbraw/zinc/14/82/37/819148237.db2.gz YGJQYQQYWXPWRX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1[nH]c2ccccc2c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711441 819148452 /nfs/dbraw/zinc/14/84/52/819148452.db2.gz PATWBRWHJADLFX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1[nH]c2ccccc2c1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711441 819148455 /nfs/dbraw/zinc/14/84/55/819148455.db2.gz PATWBRWHJADLFX-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP CCCOc1ccccc1C[NH+]1CCC([NH2+]CC)CC1 ZINC001235727068 819154813 /nfs/dbraw/zinc/15/48/13/819154813.db2.gz WCQJSIKXINNNAG-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]CC)CC2)cc1 ZINC001235727368 819155373 /nfs/dbraw/zinc/15/53/73/819155373.db2.gz ZKKBQCPMHBCMTH-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)cc1Cl ZINC001235942906 819234359 /nfs/dbraw/zinc/23/43/59/819234359.db2.gz YPHCPNZFRLVTBX-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)cc1Cl ZINC001235942906 819234361 /nfs/dbraw/zinc/23/43/61/819234361.db2.gz YPHCPNZFRLVTBX-DGCLKSJQSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1csc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235951361 819242073 /nfs/dbraw/zinc/24/20/73/819242073.db2.gz RHARXTIUPFVEBM-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP Cc1csc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1Cl ZINC001235951361 819242068 /nfs/dbraw/zinc/24/20/68/819242068.db2.gz RHARXTIUPFVEBM-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001235957629 819246039 /nfs/dbraw/zinc/24/60/39/819246039.db2.gz QVSSXROIOBBNDS-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001235957629 819246045 /nfs/dbraw/zinc/24/60/45/819246045.db2.gz QVSSXROIOBBNDS-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001235962042 819251659 /nfs/dbraw/zinc/25/16/59/819251659.db2.gz HTDOZPBKVWJCIF-HXUWFJFHSA-N 2 2 292.426 3.346 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001235962042 819251663 /nfs/dbraw/zinc/25/16/63/819251663.db2.gz HTDOZPBKVWJCIF-HXUWFJFHSA-N 2 2 292.426 3.346 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235979870 819256022 /nfs/dbraw/zinc/25/60/22/819256022.db2.gz LPCUAOQMVHHMEJ-AEFFLSMTSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235979870 819256030 /nfs/dbraw/zinc/25/60/30/819256030.db2.gz LPCUAOQMVHHMEJ-AEFFLSMTSA-N 2 2 288.435 3.179 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236051982 819288492 /nfs/dbraw/zinc/28/84/92/819288492.db2.gz YWXXSFOPXFXQIA-IINYFYTJSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236051982 819288500 /nfs/dbraw/zinc/28/85/00/819288500.db2.gz YWXXSFOPXFXQIA-IINYFYTJSA-N 2 2 286.341 3.183 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001236145019 819345265 /nfs/dbraw/zinc/34/52/65/819345265.db2.gz XXZKXNVPWKUHJB-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001236145019 819345272 /nfs/dbraw/zinc/34/52/72/819345272.db2.gz XXZKXNVPWKUHJB-UHFFFAOYSA-N 2 2 290.357 3.412 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216858 819382782 /nfs/dbraw/zinc/38/27/82/819382782.db2.gz LLWSJGTWYJHZHQ-JKSUJKDBSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216858 819382790 /nfs/dbraw/zinc/38/27/90/819382790.db2.gz LLWSJGTWYJHZHQ-JKSUJKDBSA-N 2 2 276.424 3.177 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217722 819383470 /nfs/dbraw/zinc/38/34/70/819383470.db2.gz PWOCSGPREVBDSA-HOTGVXAUSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217722 819383474 /nfs/dbraw/zinc/38/34/74/819383474.db2.gz PWOCSGPREVBDSA-HOTGVXAUSA-N 2 2 276.424 3.095 20 0 CGADLP COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236217795 819383660 /nfs/dbraw/zinc/38/36/60/819383660.db2.gz QOEOZHLWOMOIBT-ZIAGYGMSSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236217795 819383666 /nfs/dbraw/zinc/38/36/66/819383666.db2.gz QOEOZHLWOMOIBT-ZIAGYGMSSA-N 2 2 282.815 3.050 20 0 CGADLP CCc1cccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236241692 819401542 /nfs/dbraw/zinc/40/15/42/819401542.db2.gz UHBFYZIPJHTKHL-QGZVFWFLSA-N 2 2 297.446 3.447 20 0 CGADLP CCc1cccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236241692 819401543 /nfs/dbraw/zinc/40/15/43/819401543.db2.gz UHBFYZIPJHTKHL-QGZVFWFLSA-N 2 2 297.446 3.447 20 0 CGADLP CCC[N@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CC[NH2+]C1 ZINC001236322902 819424878 /nfs/dbraw/zinc/42/48/78/819424878.db2.gz ARAQCBWZBGGACQ-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CCC[N@@H+](Cc1c(C)cc(F)cc1C)[C@@H]1CC[NH2+]C1 ZINC001236322902 819424880 /nfs/dbraw/zinc/42/48/80/819424880.db2.gz ARAQCBWZBGGACQ-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC[N@@H+](Cc1c(Cl)cccc1SC)C[C@H]1CC[NH2+]C1 ZINC001236407319 819454559 /nfs/dbraw/zinc/45/45/59/819454559.db2.gz DAEREVKPNWWLHX-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP CC[N@H+](Cc1c(Cl)cccc1SC)C[C@H]1CC[NH2+]C1 ZINC001236407319 819454564 /nfs/dbraw/zinc/45/45/64/819454564.db2.gz DAEREVKPNWWLHX-LBPRGKRZSA-N 2 2 298.883 3.493 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421936 819469427 /nfs/dbraw/zinc/46/94/27/819469427.db2.gz UVDJVBPQQFUMHX-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421936 819469431 /nfs/dbraw/zinc/46/94/31/819469431.db2.gz UVDJVBPQQFUMHX-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236423046 819470164 /nfs/dbraw/zinc/47/01/64/819470164.db2.gz YJCKFOLTASVZHE-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236423046 819470166 /nfs/dbraw/zinc/47/01/66/819470166.db2.gz YJCKFOLTASVZHE-RHSMWYFYSA-N 2 2 276.424 3.177 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)s1 ZINC001236423124 819470817 /nfs/dbraw/zinc/47/08/17/819470817.db2.gz ZSKKHDSNLNIINF-SMDDNHRTSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)s1 ZINC001236423124 819470820 /nfs/dbraw/zinc/47/08/20/819470820.db2.gz ZSKKHDSNLNIINF-SMDDNHRTSA-N 2 2 252.427 3.012 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001236529866 819521439 /nfs/dbraw/zinc/52/14/39/819521439.db2.gz NXMIYMXHFXBDJW-QGZVFWFLSA-N 2 2 280.415 3.475 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001236529866 819521445 /nfs/dbraw/zinc/52/14/45/819521445.db2.gz NXMIYMXHFXBDJW-QGZVFWFLSA-N 2 2 280.415 3.475 20 0 CGADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001236590458 819547150 /nfs/dbraw/zinc/54/71/50/819547150.db2.gz AMKWFMQKNPEMIS-INIZCTEOSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001236590458 819547156 /nfs/dbraw/zinc/54/71/56/819547156.db2.gz AMKWFMQKNPEMIS-INIZCTEOSA-N 2 2 291.439 3.132 20 0 CGADLP Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1F ZINC001236600199 819549271 /nfs/dbraw/zinc/54/92/71/819549271.db2.gz YWHHASVWVIVXMN-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1F ZINC001236600199 819549277 /nfs/dbraw/zinc/54/92/77/819549277.db2.gz YWHHASVWVIVXMN-CYBMUJFWSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC001236647350 819559641 /nfs/dbraw/zinc/55/96/41/819559641.db2.gz MAWUTMCZKFJURP-UHFFFAOYSA-N 2 2 290.798 3.077 20 0 CGADLP C[NH+]1CCC(c2ccc(-c3ccc[nH+]c3N)cc2)CC1 ZINC001243476323 823414918 /nfs/dbraw/zinc/41/49/18/823414918.db2.gz BNYGDUGILNCUDA-UHFFFAOYSA-N 2 2 267.376 3.140 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001236868426 819627230 /nfs/dbraw/zinc/62/72/30/819627230.db2.gz CBKKQSZGGKGQEW-AWEZNQCLSA-N 2 2 264.413 3.033 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001236868426 819627232 /nfs/dbraw/zinc/62/72/32/819627232.db2.gz CBKKQSZGGKGQEW-AWEZNQCLSA-N 2 2 264.413 3.033 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001237001538 819643783 /nfs/dbraw/zinc/64/37/83/819643783.db2.gz XNIOBBNVXRAMSI-DYVFJYSZSA-N 2 2 286.444 3.277 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001237001538 819643784 /nfs/dbraw/zinc/64/37/84/819643784.db2.gz XNIOBBNVXRAMSI-DYVFJYSZSA-N 2 2 286.444 3.277 20 0 CGADLP C[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001237103053 819666867 /nfs/dbraw/zinc/66/68/67/819666867.db2.gz QFUTZNNWHRCSHJ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001237103053 819666874 /nfs/dbraw/zinc/66/68/74/819666874.db2.gz QFUTZNNWHRCSHJ-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP c1cc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001237146661 819677768 /nfs/dbraw/zinc/67/77/68/819677768.db2.gz URQISNJHAOSVLZ-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001237146661 819677773 /nfs/dbraw/zinc/67/77/73/819677773.db2.gz URQISNJHAOSVLZ-QGZVFWFLSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001237145350 819678487 /nfs/dbraw/zinc/67/84/87/819678487.db2.gz NESCFFRBFWPRGH-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001237145350 819678489 /nfs/dbraw/zinc/67/84/89/819678489.db2.gz NESCFFRBFWPRGH-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)Cc1cccc2c[nH+]cn21 ZINC001238109683 819935798 /nfs/dbraw/zinc/93/57/98/819935798.db2.gz IQNJYBMCKKVTKW-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP CC[N@H+](Cc1cc(C)cnc1SC)C1CC[NH+](C)CC1 ZINC001238716656 820099208 /nfs/dbraw/zinc/09/92/08/820099208.db2.gz MSTOIFXVKRXJAL-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP CC[N@@H+](Cc1cc(C)cnc1SC)C1CC[NH+](C)CC1 ZINC001238716656 820099219 /nfs/dbraw/zinc/09/92/19/820099219.db2.gz MSTOIFXVKRXJAL-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC001239536167 820388169 /nfs/dbraw/zinc/38/81/69/820388169.db2.gz FZZZPHNZXCTSIW-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC001239536167 820388176 /nfs/dbraw/zinc/38/81/76/820388176.db2.gz FZZZPHNZXCTSIW-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP Nc1cc(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)cc[nH+]1 ZINC001241170431 821614378 /nfs/dbraw/zinc/61/43/78/821614378.db2.gz MXZRZKPWBWNANW-UHFFFAOYSA-N 2 2 260.300 3.360 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001461260305 937572654 /nfs/dbraw/zinc/57/26/54/937572654.db2.gz REDRIEDKXQQQDQ-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001461260305 937572657 /nfs/dbraw/zinc/57/26/57/937572657.db2.gz REDRIEDKXQQQDQ-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001461686970 937592336 /nfs/dbraw/zinc/59/23/36/937592336.db2.gz YDLOXDLYNRERPX-JXTAAOLFSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001461686970 937592337 /nfs/dbraw/zinc/59/23/37/937592337.db2.gz YDLOXDLYNRERPX-JXTAAOLFSA-N 2 2 288.410 3.445 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001461708229 937593251 /nfs/dbraw/zinc/59/32/51/937593251.db2.gz PSATZZGAXVWFRI-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001461708229 937593252 /nfs/dbraw/zinc/59/32/52/937593252.db2.gz PSATZZGAXVWFRI-QAPCUYQASA-N 2 2 287.451 3.429 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001231083594 932673950 /nfs/dbraw/zinc/67/39/50/932673950.db2.gz LKMKUGARFBEECK-FOLVSLTJSA-N 2 2 283.375 3.081 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3[nH]cc[nH+]3)cc1)C2 ZINC001231083594 932673954 /nfs/dbraw/zinc/67/39/54/932673954.db2.gz LKMKUGARFBEECK-FOLVSLTJSA-N 2 2 283.375 3.081 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC001306946441 932900003 /nfs/dbraw/zinc/90/00/03/932900003.db2.gz QAIGQGRWIMOUKC-INIZCTEOSA-N 2 2 290.455 3.414 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC001306946441 932900007 /nfs/dbraw/zinc/90/00/07/932900007.db2.gz QAIGQGRWIMOUKC-INIZCTEOSA-N 2 2 290.455 3.414 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)C1CC(C)(C)CC(C)(C)C1 ZINC001307917205 933020476 /nfs/dbraw/zinc/02/04/76/933020476.db2.gz PKYOATCZRWCVDB-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)C1CC(C)(C)CC(C)(C)C1 ZINC001307917205 933020480 /nfs/dbraw/zinc/02/04/80/933020480.db2.gz PKYOATCZRWCVDB-UHFFFAOYSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001308224192 933075566 /nfs/dbraw/zinc/07/55/66/933075566.db2.gz PTMMGLUDLFAXTA-UKRRQHHQSA-N 2 2 255.365 3.151 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001308463561 933114983 /nfs/dbraw/zinc/11/49/83/933114983.db2.gz FOORZBJENAEGPF-YESZJQIVSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001308484175 933117795 /nfs/dbraw/zinc/11/77/95/933117795.db2.gz MRKKTYVCAAKIEL-BMFZPTHFSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001308484175 933117797 /nfs/dbraw/zinc/11/77/97/933117797.db2.gz MRKKTYVCAAKIEL-BMFZPTHFSA-N 2 2 264.457 3.418 20 0 CGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCCC1 ZINC001308862974 933191310 /nfs/dbraw/zinc/19/13/10/933191310.db2.gz BQMRDTXYAGKQFH-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCCC1 ZINC001308862974 933191314 /nfs/dbraw/zinc/19/13/14/933191314.db2.gz BQMRDTXYAGKQFH-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C=C1CCCC1 ZINC001318833125 933785614 /nfs/dbraw/zinc/78/56/14/933785614.db2.gz LFPRPQZARBJPGX-UHFFFAOYSA-N 2 2 282.347 3.015 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001473383030 937804252 /nfs/dbraw/zinc/80/42/52/937804252.db2.gz CADGPLSBYFPJKS-JONQDZQNSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485088 937808493 /nfs/dbraw/zinc/80/84/93/937808493.db2.gz VUVMZYPOVCPEGZ-YVSFHVDLSA-N 2 2 296.499 3.146 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485088 937808494 /nfs/dbraw/zinc/80/84/94/937808494.db2.gz VUVMZYPOVCPEGZ-YVSFHVDLSA-N 2 2 296.499 3.146 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327883949 935094931 /nfs/dbraw/zinc/09/49/31/935094931.db2.gz OHBZHVFLOTZELC-ZIAGYGMSSA-N 2 2 299.409 3.356 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327883949 935094938 /nfs/dbraw/zinc/09/49/38/935094938.db2.gz OHBZHVFLOTZELC-ZIAGYGMSSA-N 2 2 299.409 3.356 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001328676819 935158598 /nfs/dbraw/zinc/15/85/98/935158598.db2.gz HOQNONXREUETGL-SNVBAGLBSA-N 2 2 266.772 3.174 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001329150121 935190376 /nfs/dbraw/zinc/19/03/76/935190376.db2.gz VSRXNMHNZYYKFL-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001329150121 935190379 /nfs/dbraw/zinc/19/03/79/935190379.db2.gz VSRXNMHNZYYKFL-GFCCVEGCSA-N 2 2 260.406 3.194 20 0 CGADLP CCc1ccc(N2CCC(CC)([NH+]3CCC3)CC2)[nH+]c1 ZINC001338084725 936305413 /nfs/dbraw/zinc/30/54/13/936305413.db2.gz RKPFIBIPBFMGLA-UHFFFAOYSA-N 2 2 273.424 3.099 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001473856759 937825114 /nfs/dbraw/zinc/82/51/14/937825114.db2.gz RPICSXVAXPUFCM-SJORKVTESA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC12CCCCC2 ZINC001473856759 937825115 /nfs/dbraw/zinc/82/51/15/937825115.db2.gz RPICSXVAXPUFCM-SJORKVTESA-N 2 2 294.483 3.331 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+]CCCCn2cc[nH+]c2)C1 ZINC001473952798 937832053 /nfs/dbraw/zinc/83/20/53/937832053.db2.gz RDVSYCSRWSLJCX-OAHLLOKOSA-N 2 2 263.429 3.469 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001474737673 937878048 /nfs/dbraw/zinc/87/80/48/937878048.db2.gz UMSGIJJAYDDTHF-LXPRWKDFSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001474737673 937878050 /nfs/dbraw/zinc/87/80/50/937878050.db2.gz UMSGIJJAYDDTHF-LXPRWKDFSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474745568 937878562 /nfs/dbraw/zinc/87/85/62/937878562.db2.gz SCJHZKPPCPYGAY-LSDHHAIUSA-N 2 2 252.446 3.134 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474745568 937878564 /nfs/dbraw/zinc/87/85/64/937878564.db2.gz SCJHZKPPCPYGAY-LSDHHAIUSA-N 2 2 252.446 3.134 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001548851808 938152714 /nfs/dbraw/zinc/15/27/14/938152714.db2.gz HRYMDLOXTWBTBN-KBPBESRZSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001548851808 938152715 /nfs/dbraw/zinc/15/27/15/938152715.db2.gz HRYMDLOXTWBTBN-KBPBESRZSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001549104777 938155236 /nfs/dbraw/zinc/15/52/36/938155236.db2.gz LSODIBQUIPQKDY-KRWDZBQOSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001549104777 938155237 /nfs/dbraw/zinc/15/52/37/938155237.db2.gz LSODIBQUIPQKDY-KRWDZBQOSA-N 2 2 295.430 3.288 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)F)C1 ZINC001551377116 938180489 /nfs/dbraw/zinc/18/04/89/938180489.db2.gz CYLQSDNXEOFUCY-RJZRQDKASA-N 2 2 280.362 3.025 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)O[C@@H](C)C1 ZINC001551396756 938181702 /nfs/dbraw/zinc/18/17/02/938181702.db2.gz STISCAWAMHNZNJ-MAUKXSAKSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)O[C@@H](C)C1 ZINC001551396756 938181703 /nfs/dbraw/zinc/18/17/03/938181703.db2.gz STISCAWAMHNZNJ-MAUKXSAKSA-N 2 2 299.418 3.044 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001560232980 938248027 /nfs/dbraw/zinc/24/80/27/938248027.db2.gz NJOJIECKGDFIDP-UHFFFAOYSA-N 2 2 287.382 3.269 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001560262604 938249841 /nfs/dbraw/zinc/24/98/41/938249841.db2.gz IKLGWCHVIJYQOZ-OAHLLOKOSA-N 2 2 292.386 3.123 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001560361056 938255099 /nfs/dbraw/zinc/25/50/99/938255099.db2.gz HSABEIXKOSUJNA-WFASDCNBSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001560361056 938255101 /nfs/dbraw/zinc/25/51/01/938255101.db2.gz HSABEIXKOSUJNA-WFASDCNBSA-N 2 2 296.842 3.311 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560790068 938275766 /nfs/dbraw/zinc/27/57/66/938275766.db2.gz RQQQBANKFRTYJU-HNNXBMFYSA-N 2 2 292.442 3.468 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560790068 938275768 /nfs/dbraw/zinc/27/57/68/938275768.db2.gz RQQQBANKFRTYJU-HNNXBMFYSA-N 2 2 292.442 3.468 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001560806138 938276780 /nfs/dbraw/zinc/27/67/80/938276780.db2.gz QDLWLODTBCDBIJ-OAGGEKHMSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001560806138 938276782 /nfs/dbraw/zinc/27/67/82/938276782.db2.gz QDLWLODTBCDBIJ-OAGGEKHMSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1Cl ZINC001560972068 938287117 /nfs/dbraw/zinc/28/71/17/938287117.db2.gz BXMJCDVXAWIXOG-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972068 938287119 /nfs/dbraw/zinc/28/71/19/938287119.db2.gz BXMJCDVXAWIXOG-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972068 938287121 /nfs/dbraw/zinc/28/71/21/938287121.db2.gz BXMJCDVXAWIXOG-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972068 938287122 /nfs/dbraw/zinc/28/71/22/938287122.db2.gz BXMJCDVXAWIXOG-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2nc(C3CCCCC3)cs2)C[C@@H]1[NH3+] ZINC001576380216 962446008 /nfs/dbraw/zinc/44/60/08/962446008.db2.gz KDLRRPNTYOOMNW-UONOGXRCSA-N 2 2 293.480 3.406 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nc(C2CCCCC2)cs1 ZINC001576380215 962449429 /nfs/dbraw/zinc/44/94/29/962449429.db2.gz KDLRRPNTYOOMNW-KGLIPLIRSA-N 2 2 293.480 3.406 20 0 CGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nc(C2CCCCC2)cs1 ZINC001576380214 962452420 /nfs/dbraw/zinc/45/24/20/962452420.db2.gz KDLRRPNTYOOMNW-KBPBESRZSA-N 2 2 293.480 3.406 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[NH2+]1 ZINC001576670369 962484666 /nfs/dbraw/zinc/48/46/66/962484666.db2.gz HDDDNUMVSZCNDH-KZWBYHQPSA-N 2 2 282.790 3.065 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC001577609146 962554528 /nfs/dbraw/zinc/55/45/28/962554528.db2.gz YDYPRJCGHCBQQD-CQSZACIVSA-N 2 2 264.438 3.075 20 0 CGADLP Cc1c(Cl)ccc(C[NH2+]CC2([NH3+])CCC2)c1Cl ZINC001579534651 962625660 /nfs/dbraw/zinc/62/56/60/962625660.db2.gz OBLSBCRAFDRRJI-UHFFFAOYSA-N 2 2 273.207 3.273 20 0 CGADLP Clc1cccc2c1CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC001579939010 962688199 /nfs/dbraw/zinc/68/81/99/962688199.db2.gz RYEUMMRBQVKRDY-CYBMUJFWSA-N 2 2 278.827 3.088 20 0 CGADLP Clc1cccc2c1CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC001579939010 962688207 /nfs/dbraw/zinc/68/82/07/962688207.db2.gz RYEUMMRBQVKRDY-CYBMUJFWSA-N 2 2 278.827 3.088 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCCCC[NH2+]2)c(F)c1 ZINC001580030732 962689507 /nfs/dbraw/zinc/68/95/07/962689507.db2.gz PEAOHFGSQKFRDJ-FOSCPCJNSA-N 2 2 280.362 3.100 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccccc2)n1 ZINC000124339148 187132978 /nfs/dbraw/zinc/13/29/78/187132978.db2.gz MJVCGZDYXFAANB-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccccc2)n1 ZINC000124339148 187132979 /nfs/dbraw/zinc/13/29/79/187132979.db2.gz MJVCGZDYXFAANB-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000621340136 349501580 /nfs/dbraw/zinc/50/15/80/349501580.db2.gz XUCPXURNPBCZEW-STQMWFEESA-N 2 2 278.465 3.415 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000621340136 349501584 /nfs/dbraw/zinc/50/15/84/349501584.db2.gz XUCPXURNPBCZEW-STQMWFEESA-N 2 2 278.465 3.415 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377736 349512830 /nfs/dbraw/zinc/51/28/30/349512830.db2.gz FHTZCOSSBLQHCB-FVQBIDKESA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621377736 349512832 /nfs/dbraw/zinc/51/28/32/349512832.db2.gz FHTZCOSSBLQHCB-FVQBIDKESA-N 2 2 294.389 3.457 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337659231 214202311 /nfs/dbraw/zinc/20/23/11/214202311.db2.gz KJVGTZFOSHVHNV-KRWDZBQOSA-N 2 2 269.392 3.493 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337659231 214202312 /nfs/dbraw/zinc/20/23/12/214202312.db2.gz KJVGTZFOSHVHNV-KRWDZBQOSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000294967422 199274346 /nfs/dbraw/zinc/27/43/46/199274346.db2.gz JQSKSVPKDYMTGJ-BBRMVZONSA-N 2 2 287.407 3.072 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)c[nH+]1 ZINC000651630708 398260030 /nfs/dbraw/zinc/26/00/30/398260030.db2.gz MDHQSSZICNWMSU-QGZVFWFLSA-N 2 2 281.403 3.209 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)c[nH+]1 ZINC000651630708 398260033 /nfs/dbraw/zinc/26/00/33/398260033.db2.gz MDHQSSZICNWMSU-QGZVFWFLSA-N 2 2 281.403 3.209 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777963 349585035 /nfs/dbraw/zinc/58/50/35/349585035.db2.gz JFWNQRYNBMILDM-GXTWGEPZSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000621777963 349585042 /nfs/dbraw/zinc/58/50/42/349585042.db2.gz JFWNQRYNBMILDM-GXTWGEPZSA-N 2 2 284.325 3.019 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000651721900 398275898 /nfs/dbraw/zinc/27/58/98/398275898.db2.gz WWLIXOPYFCEJJF-IJEWVQPXSA-N 2 2 261.413 3.319 20 0 CGADLP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000651759838 398283584 /nfs/dbraw/zinc/28/35/84/398283584.db2.gz DTCAPGFVFUQDIS-AWEZNQCLSA-N 2 2 294.414 3.188 20 0 CGADLP C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797181 398289191 /nfs/dbraw/zinc/28/91/91/398289191.db2.gz BYIZEZBYIWSVIT-HIFRSBDPSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000651865989 398298944 /nfs/dbraw/zinc/29/89/44/398298944.db2.gz POSQVHQSTSSOQU-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000651865989 398298946 /nfs/dbraw/zinc/29/89/46/398298946.db2.gz POSQVHQSTSSOQU-UHFFFAOYSA-N 2 2 288.357 3.171 20 0 CGADLP Cc1cccc2[nH+]cc(C[NH+]3CCC4(CC4(F)F)CC3)n21 ZINC000651953616 398311782 /nfs/dbraw/zinc/31/17/82/398311782.db2.gz OUNZZCWQBUHBSN-UHFFFAOYSA-N 2 2 291.345 3.264 20 0 CGADLP CC[C@H](F)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782057 529435716 /nfs/dbraw/zinc/43/57/16/529435716.db2.gz UQOHIASATNQKGB-SJORKVTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782057 529435719 /nfs/dbraw/zinc/43/57/19/529435719.db2.gz UQOHIASATNQKGB-SJORKVTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440782057 529435721 /nfs/dbraw/zinc/43/57/21/529435721.db2.gz UQOHIASATNQKGB-SJORKVTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H](F)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440782057 529435722 /nfs/dbraw/zinc/43/57/22/529435722.db2.gz UQOHIASATNQKGB-SJORKVTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000449061266 529430396 /nfs/dbraw/zinc/43/03/96/529430396.db2.gz IBLNIQNJBIFVJP-UWWQBHOKSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423481939 529453345 /nfs/dbraw/zinc/45/33/45/529453345.db2.gz XAJHDOFHUWZJTR-DZGCQCFKSA-N 2 2 250.386 3.146 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229373 529501454 /nfs/dbraw/zinc/50/14/54/529501454.db2.gz BAKRCNGOFIZOMH-QWHCGFSZSA-N 2 2 272.392 3.398 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000591083069 346899635 /nfs/dbraw/zinc/89/96/35/346899635.db2.gz ZPWRUYRPNLJOTQ-CYBMUJFWSA-N 2 2 288.395 3.006 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000591083069 346899638 /nfs/dbraw/zinc/89/96/38/346899638.db2.gz ZPWRUYRPNLJOTQ-CYBMUJFWSA-N 2 2 288.395 3.006 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000358114979 529556357 /nfs/dbraw/zinc/55/63/57/529556357.db2.gz UYQQIRSONXYMIH-XOKHGSTOSA-N 2 2 288.435 3.002 20 0 CGADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000358114979 529556360 /nfs/dbraw/zinc/55/63/60/529556360.db2.gz UYQQIRSONXYMIH-XOKHGSTOSA-N 2 2 288.435 3.002 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000423462149 529568043 /nfs/dbraw/zinc/56/80/43/529568043.db2.gz KLDUHDIDEWIYTD-NKWVEPMBSA-N 2 2 267.225 3.443 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnccc1C ZINC000423515357 529611672 /nfs/dbraw/zinc/61/16/72/529611672.db2.gz XKZGITPDADQTSQ-KSSFIOAISA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154639722 529620534 /nfs/dbraw/zinc/62/05/34/529620534.db2.gz CPXNVTAOSCSWHD-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154639722 529620535 /nfs/dbraw/zinc/62/05/35/529620535.db2.gz CPXNVTAOSCSWHD-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367540153 282207514 /nfs/dbraw/zinc/20/75/14/282207514.db2.gz IMORGHFVGPFICI-IPMKNSEASA-N 2 2 295.430 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367540153 282207515 /nfs/dbraw/zinc/20/75/15/282207515.db2.gz IMORGHFVGPFICI-IPMKNSEASA-N 2 2 295.430 3.460 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CC)C1CCC1 ZINC000423508855 529617205 /nfs/dbraw/zinc/61/72/05/529617205.db2.gz QZGMZJYHEYFZTJ-SJORKVTESA-N 2 2 260.425 3.417 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623363066 349790209 /nfs/dbraw/zinc/79/02/09/349790209.db2.gz WHOCFEBEJCPIQA-VNHYZAJKSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623363066 349790213 /nfs/dbraw/zinc/79/02/13/349790213.db2.gz WHOCFEBEJCPIQA-VNHYZAJKSA-N 2 2 276.424 3.365 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000423380310 529657480 /nfs/dbraw/zinc/65/74/80/529657480.db2.gz NTKIHEGAYUKMHE-FPMFFAJLSA-N 2 2 298.377 3.469 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358411502 529662110 /nfs/dbraw/zinc/66/21/10/529662110.db2.gz ZAXGGINTAPZOEX-TUKIKUTGSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358411502 529662113 /nfs/dbraw/zinc/66/21/13/529662113.db2.gz ZAXGGINTAPZOEX-TUKIKUTGSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCC1 ZINC000449317851 529675933 /nfs/dbraw/zinc/67/59/33/529675933.db2.gz DWZOAEKQGHMWQP-HNNXBMFYSA-N 2 2 270.380 3.317 20 0 CGADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000294979237 199281997 /nfs/dbraw/zinc/28/19/97/199281997.db2.gz GWAHNYLSWZZMFK-ZDUSSCGKSA-N 2 2 299.374 3.201 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406072 349800394 /nfs/dbraw/zinc/80/03/94/349800394.db2.gz IXMJRAMTXGFMBW-CHWSQXEVSA-N 2 2 281.469 3.365 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406072 349800397 /nfs/dbraw/zinc/80/03/97/349800397.db2.gz IXMJRAMTXGFMBW-CHWSQXEVSA-N 2 2 281.469 3.365 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)C1 ZINC000127854265 187337278 /nfs/dbraw/zinc/33/72/78/187337278.db2.gz TWSKYGUMWBBVPN-LSDHHAIUSA-N 2 2 284.407 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)C1 ZINC000127854265 187337279 /nfs/dbraw/zinc/33/72/79/187337279.db2.gz TWSKYGUMWBBVPN-LSDHHAIUSA-N 2 2 284.407 3.135 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623431339 349808048 /nfs/dbraw/zinc/80/80/48/349808048.db2.gz BGESSPMBCULPSA-STQMWFEESA-N 2 2 294.414 3.358 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431339 349808051 /nfs/dbraw/zinc/80/80/51/349808051.db2.gz BGESSPMBCULPSA-STQMWFEESA-N 2 2 294.414 3.358 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431368 349808145 /nfs/dbraw/zinc/80/81/45/349808145.db2.gz BZWRMEOJJBMISE-ZIAGYGMSSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1csc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)n1 ZINC000623431368 349808148 /nfs/dbraw/zinc/80/81/48/349808148.db2.gz BZWRMEOJJBMISE-ZIAGYGMSSA-N 2 2 293.480 3.365 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445833 349811661 /nfs/dbraw/zinc/81/16/61/349811661.db2.gz GXBZHECUIINJKI-RISCZKNCSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445833 349811662 /nfs/dbraw/zinc/81/16/62/349811662.db2.gz GXBZHECUIINJKI-RISCZKNCSA-N 2 2 294.826 3.236 20 0 CGADLP COc1cc(C[NH2+]CCc2cc[nH+]cc2C)ccc1Cl ZINC000623473175 349816035 /nfs/dbraw/zinc/81/60/35/349816035.db2.gz MOKFCUICSVWQAA-UHFFFAOYSA-N 2 2 290.794 3.384 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000423252576 529729768 /nfs/dbraw/zinc/72/97/68/529729768.db2.gz XRBMSEYWQSCIJZ-FZMZJTMJSA-N 2 2 289.448 3.365 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1(C)C ZINC000623554539 349832172 /nfs/dbraw/zinc/83/21/72/349832172.db2.gz CVYLBTRUQJGMCP-ZOBUZTSGSA-N 2 2 276.399 3.086 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1(C)C ZINC000623554539 349832174 /nfs/dbraw/zinc/83/21/74/349832174.db2.gz CVYLBTRUQJGMCP-ZOBUZTSGSA-N 2 2 276.399 3.086 20 0 CGADLP CS[C@H](C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000128081773 187350134 /nfs/dbraw/zinc/35/01/34/187350134.db2.gz LMGUVTQDTLWMJI-GFCCVEGCSA-N 2 2 275.421 3.022 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832749 349892545 /nfs/dbraw/zinc/89/25/45/349892545.db2.gz JYHMMURNEWWAPZ-IUIKQTSFSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000623832749 349892550 /nfs/dbraw/zinc/89/25/50/349892550.db2.gz JYHMMURNEWWAPZ-IUIKQTSFSA-N 2 2 278.827 3.257 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000623820985 349889422 /nfs/dbraw/zinc/88/94/22/349889422.db2.gz ARGPYEQAWPKXEP-AWEZNQCLSA-N 2 2 298.352 3.118 20 0 CGADLP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000623820985 349889424 /nfs/dbraw/zinc/88/94/24/349889424.db2.gz ARGPYEQAWPKXEP-AWEZNQCLSA-N 2 2 298.352 3.118 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)n1 ZINC000623853925 349897300 /nfs/dbraw/zinc/89/73/00/349897300.db2.gz LXELTZMQKNBYBE-AWEZNQCLSA-N 2 2 281.469 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000423224443 529978449 /nfs/dbraw/zinc/97/84/49/529978449.db2.gz JFQICHRQKAFYPQ-LBPRGKRZSA-N 2 2 252.427 3.057 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000437586270 529985511 /nfs/dbraw/zinc/98/55/11/529985511.db2.gz CCPCSEATSQKVCE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000437586270 529985512 /nfs/dbraw/zinc/98/55/12/529985512.db2.gz CCPCSEATSQKVCE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000437586270 529985514 /nfs/dbraw/zinc/98/55/14/529985514.db2.gz CCPCSEATSQKVCE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(Cl)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000437586270 529985515 /nfs/dbraw/zinc/98/55/15/529985515.db2.gz CCPCSEATSQKVCE-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000411438220 530051914 /nfs/dbraw/zinc/05/19/14/530051914.db2.gz BMKTXEASOICQHS-WEVVVXLNSA-N 2 2 270.420 3.260 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000411438220 530051915 /nfs/dbraw/zinc/05/19/15/530051915.db2.gz BMKTXEASOICQHS-WEVVVXLNSA-N 2 2 270.420 3.260 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353179 345009288 /nfs/dbraw/zinc/00/92/88/345009288.db2.gz MELZKCNUYPFWND-DZGCQCFKSA-N 2 2 273.380 3.170 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCOCC2CC2)n1-c1ccccc1 ZINC000081292546 345705148 /nfs/dbraw/zinc/70/51/48/345705148.db2.gz LLQKQLCXRZZAKN-UHFFFAOYSA-N 2 2 299.418 3.087 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000083441363 345725914 /nfs/dbraw/zinc/72/59/14/345725914.db2.gz SLZSPWIKNXFHGJ-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000083441363 345725915 /nfs/dbraw/zinc/72/59/15/345725915.db2.gz SLZSPWIKNXFHGJ-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c1 ZINC000090047307 345778570 /nfs/dbraw/zinc/77/85/70/345778570.db2.gz ATWIYQZHYFNFRU-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)c1ccccn1 ZINC000090919757 345797744 /nfs/dbraw/zinc/79/77/44/345797744.db2.gz VOVDMSDPYQEYPA-CYBMUJFWSA-N 2 2 287.382 3.133 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cn1 ZINC000092750105 345856427 /nfs/dbraw/zinc/85/64/27/345856427.db2.gz CNZLOVIJGZSWOV-DOMZBBRYSA-N 2 2 281.419 3.238 20 0 CGADLP c1cn(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000161867406 232252018 /nfs/dbraw/zinc/25/20/18/232252018.db2.gz JTMJNPAAFQRQRD-LJQANCHMSA-N 2 2 291.398 3.457 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000093866016 345890078 /nfs/dbraw/zinc/89/00/78/345890078.db2.gz DAIQZHVVANPFFD-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000093866016 345890080 /nfs/dbraw/zinc/89/00/80/345890080.db2.gz DAIQZHVVANPFFD-SFHVURJKSA-N 2 2 282.387 3.352 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)o1 ZINC000093659866 345884111 /nfs/dbraw/zinc/88/41/11/345884111.db2.gz KZWSPMJFLPDFJG-GFCCVEGCSA-N 2 2 270.804 3.239 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)o1 ZINC000093659866 345884112 /nfs/dbraw/zinc/88/41/12/345884112.db2.gz KZWSPMJFLPDFJG-GFCCVEGCSA-N 2 2 270.804 3.239 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)o1 ZINC000093659866 345884114 /nfs/dbraw/zinc/88/41/14/345884114.db2.gz KZWSPMJFLPDFJG-GFCCVEGCSA-N 2 2 270.804 3.239 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)o1 ZINC000093659866 345884115 /nfs/dbraw/zinc/88/41/15/345884115.db2.gz KZWSPMJFLPDFJG-GFCCVEGCSA-N 2 2 270.804 3.239 20 0 CGADLP Clc1c2ccccc2sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579628 345934609 /nfs/dbraw/zinc/93/46/09/345934609.db2.gz QEHRTHZKPWVPIR-GHMZBOCLSA-N 2 2 292.835 3.206 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533631 346012921 /nfs/dbraw/zinc/01/29/21/346012921.db2.gz BYBCPUFKWFFKQW-JOYOIKCWSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533631 346012924 /nfs/dbraw/zinc/01/29/24/346012924.db2.gz BYBCPUFKWFFKQW-JOYOIKCWSA-N 2 2 273.207 3.305 20 0 CGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000130369339 346056851 /nfs/dbraw/zinc/05/68/51/346056851.db2.gz CHGNNCOXPRBXIQ-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000130369339 346056854 /nfs/dbraw/zinc/05/68/54/346056854.db2.gz CHGNNCOXPRBXIQ-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229633516 346318247 /nfs/dbraw/zinc/31/82/47/346318247.db2.gz GJZXPJYIGQHPKL-INIZCTEOSA-N 2 2 273.424 3.234 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251027041 346387465 /nfs/dbraw/zinc/38/74/65/346387465.db2.gz XLIGPWMGZSNOIB-HZPDHXFCSA-N 2 2 260.425 3.357 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251027041 346387468 /nfs/dbraw/zinc/38/74/68/346387468.db2.gz XLIGPWMGZSNOIB-HZPDHXFCSA-N 2 2 260.425 3.357 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000316288425 346485031 /nfs/dbraw/zinc/48/50/31/346485031.db2.gz YHODICQSHIOSIP-GOSISDBHSA-N 2 2 299.418 3.339 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247500 346572422 /nfs/dbraw/zinc/57/24/22/346572422.db2.gz AXJXBIIBRDQROS-HOCLYGCPSA-N 2 2 291.395 3.120 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247500 346572426 /nfs/dbraw/zinc/57/24/26/346572426.db2.gz AXJXBIIBRDQROS-HOCLYGCPSA-N 2 2 291.395 3.120 20 0 CGADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178018 282531708 /nfs/dbraw/zinc/53/17/08/282531708.db2.gz BLFWWFITFHEHNA-XHDPSFHLSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429687 215162336 /nfs/dbraw/zinc/16/23/36/215162336.db2.gz ZANPCLMZMXKIGM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429687 215162338 /nfs/dbraw/zinc/16/23/38/215162338.db2.gz ZANPCLMZMXKIGM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429687 215162341 /nfs/dbraw/zinc/16/23/41/215162341.db2.gz ZANPCLMZMXKIGM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429687 215162345 /nfs/dbraw/zinc/16/23/45/215162345.db2.gz ZANPCLMZMXKIGM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434410 215167214 /nfs/dbraw/zinc/16/72/14/215167214.db2.gz WEUAHVSZRHFBGX-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434410 215167217 /nfs/dbraw/zinc/16/72/17/215167217.db2.gz WEUAHVSZRHFBGX-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434410 215167219 /nfs/dbraw/zinc/16/72/19/215167219.db2.gz WEUAHVSZRHFBGX-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434410 215167221 /nfs/dbraw/zinc/16/72/21/215167221.db2.gz WEUAHVSZRHFBGX-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000608075811 348282285 /nfs/dbraw/zinc/28/22/85/348282285.db2.gz XETAWYIENHJWOI-INIZCTEOSA-N 2 2 281.359 3.087 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439859 215173038 /nfs/dbraw/zinc/17/30/38/215173038.db2.gz VBIAZPZKIJVTIJ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439859 215173041 /nfs/dbraw/zinc/17/30/41/215173041.db2.gz VBIAZPZKIJVTIJ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439859 215173042 /nfs/dbraw/zinc/17/30/42/215173042.db2.gz VBIAZPZKIJVTIJ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)C1 ZINC000339439859 215173043 /nfs/dbraw/zinc/17/30/43/215173043.db2.gz VBIAZPZKIJVTIJ-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000358111013 233059109 /nfs/dbraw/zinc/05/91/09/233059109.db2.gz NPNDDMUZEZLVDL-OSLDLMBLSA-N 2 2 270.420 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000358111013 233059113 /nfs/dbraw/zinc/05/91/13/233059113.db2.gz NPNDDMUZEZLVDL-OSLDLMBLSA-N 2 2 270.420 3.307 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000628214433 350444693 /nfs/dbraw/zinc/44/46/93/350444693.db2.gz XHIRIJCDPIKZMQ-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000628214433 350444699 /nfs/dbraw/zinc/44/46/99/350444699.db2.gz XHIRIJCDPIKZMQ-ZNMIVQPWSA-N 2 2 270.486 3.125 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2c[nH+]cc3c2CCCC3)CC1(C)C ZINC000628336950 350503645 /nfs/dbraw/zinc/50/36/45/350503645.db2.gz TZSPVHCJQYGXAU-AWEZNQCLSA-N 2 2 273.424 3.245 20 0 CGADLP C[N@H+]1CC[C@H](Nc2c[nH+]cc3c2CCCC3)CC1(C)C ZINC000628336950 350503649 /nfs/dbraw/zinc/50/36/49/350503649.db2.gz TZSPVHCJQYGXAU-AWEZNQCLSA-N 2 2 273.424 3.245 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000629525914 350702316 /nfs/dbraw/zinc/70/23/16/350702316.db2.gz GAIHWJJGIWXQPI-VJUNAUMWSA-N 2 2 258.409 3.355 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000629526238 350702415 /nfs/dbraw/zinc/70/24/15/350702415.db2.gz NZIJXTXOHWBLEG-KGYLQXTDSA-N 2 2 281.469 3.366 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000629532988 350704571 /nfs/dbraw/zinc/70/45/71/350704571.db2.gz BXRYSQLYAZFTTB-UHFFFAOYSA-N 2 2 275.440 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000629532988 350704574 /nfs/dbraw/zinc/70/45/74/350704574.db2.gz BXRYSQLYAZFTTB-UHFFFAOYSA-N 2 2 275.440 3.081 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1C(F)(F)F ZINC000629536999 350705971 /nfs/dbraw/zinc/70/59/71/350705971.db2.gz KLRRUMCCHWMOCE-GRYCIOLGSA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537777 350706073 /nfs/dbraw/zinc/70/60/73/350706073.db2.gz MELOAUMMFONWIK-ZLDLUXBVSA-N 2 2 298.377 3.469 20 0 CGADLP COCCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629542307 350707302 /nfs/dbraw/zinc/70/73/02/350707302.db2.gz DNKLUWDZYYBAGD-COXVUDFISA-N 2 2 294.414 3.024 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)ccc1F ZINC000629540674 350707838 /nfs/dbraw/zinc/70/78/38/350707838.db2.gz SGHCIWQQJLOHPT-ISTRZQFTSA-N 2 2 276.399 3.315 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000629549684 350711003 /nfs/dbraw/zinc/71/10/03/350711003.db2.gz YQFBTEUOVCINFT-WCFLWFBJSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000629391018 350687692 /nfs/dbraw/zinc/68/76/92/350687692.db2.gz ROTHZBNATLCGLQ-QWHCGFSZSA-N 2 2 290.304 3.075 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629415433 350690940 /nfs/dbraw/zinc/69/09/40/350690940.db2.gz QHGWORPQTLIPRR-ZBFHGGJFSA-N 2 2 276.424 3.096 20 0 CGADLP CCNc1ccc(-c2cccc(C[N@H+](C)C3CC3)c2)c[nH+]1 ZINC000629708295 350747366 /nfs/dbraw/zinc/74/73/66/350747366.db2.gz DLLFBZIIOKFALR-UHFFFAOYSA-N 2 2 281.403 3.197 20 0 CGADLP CCNc1ccc(-c2cccc(C[N@@H+](C)C3CC3)c2)c[nH+]1 ZINC000629708295 350747369 /nfs/dbraw/zinc/74/73/69/350747369.db2.gz DLLFBZIIOKFALR-UHFFFAOYSA-N 2 2 281.403 3.197 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631039626 350933589 /nfs/dbraw/zinc/93/35/89/350933589.db2.gz AIYIPRBGVIYROS-LBPRGKRZSA-N 2 2 297.324 3.166 20 0 CGADLP Cc1scc(C[NH2+]CCCCn2cc[nH+]c2)c1C ZINC000631048638 350936059 /nfs/dbraw/zinc/93/60/59/350936059.db2.gz GINLFLAETCWFNJ-UHFFFAOYSA-N 2 2 263.410 3.131 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]CCc2cn(C)c[nH+]2)c(C)c1 ZINC000631156508 350972255 /nfs/dbraw/zinc/97/22/55/350972255.db2.gz PYFBBTYBAAWQEF-WAYWQWQTSA-N 2 2 283.419 3.191 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CCC2 ZINC000631653713 351107190 /nfs/dbraw/zinc/10/71/90/351107190.db2.gz ZJSDFCVZUNDEGI-VQIMIIECSA-N 2 2 299.462 3.456 20 0 CGADLP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CCC2 ZINC000631653713 351107192 /nfs/dbraw/zinc/10/71/92/351107192.db2.gz ZJSDFCVZUNDEGI-VQIMIIECSA-N 2 2 299.462 3.456 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(C)ccn1 ZINC000631586943 351080700 /nfs/dbraw/zinc/08/07/00/351080700.db2.gz AMRCGSKVIYXBTF-XHSDSOJGSA-N 2 2 275.440 3.304 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(C)ccn1 ZINC000631586943 351080702 /nfs/dbraw/zinc/08/07/02/351080702.db2.gz AMRCGSKVIYXBTF-XHSDSOJGSA-N 2 2 275.440 3.304 20 0 CGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccs1 ZINC000352239885 219379815 /nfs/dbraw/zinc/37/98/15/219379815.db2.gz AFLRQZUYAZAJJI-JTQLQIEISA-N 2 2 281.450 3.117 20 0 CGADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992308 351619162 /nfs/dbraw/zinc/61/91/62/351619162.db2.gz LAAFLWFYNGHSOP-FTJRRQOFSA-N 2 2 284.447 3.397 20 0 CGADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992308 351619163 /nfs/dbraw/zinc/61/91/63/351619163.db2.gz LAAFLWFYNGHSOP-FTJRRQOFSA-N 2 2 284.447 3.397 20 0 CGADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991672 351619222 /nfs/dbraw/zinc/61/92/22/351619222.db2.gz NNDYIIUUQSNXLZ-NRAUKZCXSA-N 2 2 276.811 3.229 20 0 CGADLP Clc1ccccc1[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991672 351619223 /nfs/dbraw/zinc/61/92/23/351619223.db2.gz NNDYIIUUQSNXLZ-NRAUKZCXSA-N 2 2 276.811 3.229 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994055 351619427 /nfs/dbraw/zinc/61/94/27/351619427.db2.gz PEESJIFPWWKDHA-XBMUEBEBSA-N 2 2 284.447 3.083 20 0 CGADLP C[C@]1(CCc2ccccc2)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994055 351619429 /nfs/dbraw/zinc/61/94/29/351619429.db2.gz PEESJIFPWWKDHA-XBMUEBEBSA-N 2 2 284.447 3.083 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991664 351619626 /nfs/dbraw/zinc/61/96/26/351619626.db2.gz NEJIXBYTYRDFQG-NRAUKZCXSA-N 2 2 276.811 3.229 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991664 351619631 /nfs/dbraw/zinc/61/96/31/351619631.db2.gz NEJIXBYTYRDFQG-NRAUKZCXSA-N 2 2 276.811 3.229 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000635006931 351625514 /nfs/dbraw/zinc/62/55/14/351625514.db2.gz NCYYUYZHNXXKLA-IUODEOHRSA-N 2 2 289.448 3.062 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@@H+]1C1CC1 ZINC000122274907 187023783 /nfs/dbraw/zinc/02/37/83/187023783.db2.gz MOZBHDKPEIKJMQ-AAEUAGOBSA-N 2 2 296.361 3.003 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000122274907 187023784 /nfs/dbraw/zinc/02/37/84/187023784.db2.gz MOZBHDKPEIKJMQ-AAEUAGOBSA-N 2 2 296.361 3.003 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123117934 187072279 /nfs/dbraw/zinc/07/22/79/187072279.db2.gz MUXGMQZDYJLQHM-RDJZCZTQSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123117934 187072280 /nfs/dbraw/zinc/07/22/80/187072280.db2.gz MUXGMQZDYJLQHM-RDJZCZTQSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123117934 187072281 /nfs/dbraw/zinc/07/22/81/187072281.db2.gz MUXGMQZDYJLQHM-RDJZCZTQSA-N 2 2 290.451 3.388 20 0 CGADLP CC(C)Oc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123117934 187072282 /nfs/dbraw/zinc/07/22/82/187072282.db2.gz MUXGMQZDYJLQHM-RDJZCZTQSA-N 2 2 290.451 3.388 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000123292964 187083350 /nfs/dbraw/zinc/08/33/50/187083350.db2.gz GFJVVEUACVIENN-CYBMUJFWSA-N 2 2 270.376 3.068 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000123292964 187083351 /nfs/dbraw/zinc/08/33/51/187083351.db2.gz GFJVVEUACVIENN-CYBMUJFWSA-N 2 2 270.376 3.068 20 0 CGADLP Fc1cc(F)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366289986 234161426 /nfs/dbraw/zinc/16/14/26/234161426.db2.gz YGQRSTBPUCREGW-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCSc3ccccc31)C2 ZINC000368104697 234282645 /nfs/dbraw/zinc/28/26/45/234282645.db2.gz IRZFREXAFDYKBW-YPMHNXCESA-N 2 2 285.416 3.094 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000368104697 234282648 /nfs/dbraw/zinc/28/26/48/234282648.db2.gz IRZFREXAFDYKBW-YPMHNXCESA-N 2 2 285.416 3.094 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103750 234284382 /nfs/dbraw/zinc/28/43/82/234284382.db2.gz YJZVTBUQCZUGKE-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103750 234284385 /nfs/dbraw/zinc/28/43/85/234284385.db2.gz YJZVTBUQCZUGKE-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2o1 ZINC000368105983 234284581 /nfs/dbraw/zinc/28/45/81/234284581.db2.gz ZIDLTGXXXYQXOT-AAEUAGOBSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccccc2o1 ZINC000368105983 234284584 /nfs/dbraw/zinc/28/45/84/234284584.db2.gz ZIDLTGXXXYQXOT-AAEUAGOBSA-N 2 2 281.359 3.364 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1OC(F)F ZINC000154561978 188151002 /nfs/dbraw/zinc/15/10/02/188151002.db2.gz ZGQVMIYZWMWKLM-VXGBXAGGSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1OC(F)F ZINC000154561978 188151004 /nfs/dbraw/zinc/15/10/04/188151004.db2.gz ZGQVMIYZWMWKLM-VXGBXAGGSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccncc2)[NH+](C)C)cc1 ZINC000156530333 188267579 /nfs/dbraw/zinc/26/75/79/188267579.db2.gz DUFVVDMFVRQRQU-CRAIPNDOSA-N 2 2 283.419 3.344 20 0 CGADLP COc1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156568501 188270415 /nfs/dbraw/zinc/27/04/15/188270415.db2.gz SRTZUBUMSYTZEE-QAPCUYQASA-N 2 2 299.418 3.017 20 0 CGADLP COc1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156568501 188270416 /nfs/dbraw/zinc/27/04/16/188270416.db2.gz SRTZUBUMSYTZEE-QAPCUYQASA-N 2 2 299.418 3.017 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000431174204 283004616 /nfs/dbraw/zinc/00/46/16/283004616.db2.gz AAUGPUOYOJFXRO-FUHWJXTLSA-N 2 2 298.361 3.361 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000431174204 283004628 /nfs/dbraw/zinc/00/46/28/283004628.db2.gz AAUGPUOYOJFXRO-FUHWJXTLSA-N 2 2 298.361 3.361 20 0 CGADLP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC000412020652 235103645 /nfs/dbraw/zinc/10/36/45/235103645.db2.gz JQSKCWUGXCLPSM-HNNXBMFYSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)CC1CCCCC1 ZINC000414989982 235507562 /nfs/dbraw/zinc/50/75/62/235507562.db2.gz NONDKGKKLHDACB-YPMHNXCESA-N 2 2 262.388 3.165 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110212596 138362927 /nfs/dbraw/zinc/36/29/27/138362927.db2.gz ILGQGZVVJUUABA-AWEZNQCLSA-N 2 2 288.439 3.421 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110212596 138362928 /nfs/dbraw/zinc/36/29/28/138362928.db2.gz ILGQGZVVJUUABA-AWEZNQCLSA-N 2 2 288.439 3.421 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1F)C1CC1 ZINC000124734934 138377598 /nfs/dbraw/zinc/37/75/98/138377598.db2.gz HIGSMWXOEXANRY-OAHLLOKOSA-N 2 2 276.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1F)C1CC1 ZINC000124734934 138377599 /nfs/dbraw/zinc/37/75/99/138377599.db2.gz HIGSMWXOEXANRY-OAHLLOKOSA-N 2 2 276.399 3.274 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000124734934 138377600 /nfs/dbraw/zinc/37/76/00/138377600.db2.gz HIGSMWXOEXANRY-OAHLLOKOSA-N 2 2 276.399 3.274 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000124734934 138377601 /nfs/dbraw/zinc/37/76/01/138377601.db2.gz HIGSMWXOEXANRY-OAHLLOKOSA-N 2 2 276.399 3.274 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123777939 138369794 /nfs/dbraw/zinc/36/97/94/138369794.db2.gz VGXMYMJIGWPLJO-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123777939 138369795 /nfs/dbraw/zinc/36/97/95/138369795.db2.gz VGXMYMJIGWPLJO-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000126551881 138386087 /nfs/dbraw/zinc/38/60/87/138386087.db2.gz QNLUUSIECINDSQ-CYBMUJFWSA-N 2 2 292.448 3.130 20 0 CGADLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000126551881 138386088 /nfs/dbraw/zinc/38/60/88/138386088.db2.gz QNLUUSIECINDSQ-CYBMUJFWSA-N 2 2 292.448 3.130 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423247962 236008303 /nfs/dbraw/zinc/00/83/03/236008303.db2.gz QYCIMXDOLMEPEN-JLSDUUJJSA-N 2 2 284.403 3.052 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423253316 236009597 /nfs/dbraw/zinc/00/95/97/236009597.db2.gz YZJXHPNIRFRPPB-OALUTQOASA-N 2 2 296.414 3.362 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252555 236009897 /nfs/dbraw/zinc/00/98/97/236009897.db2.gz XPQPVRMMDSOPQJ-AAEUAGOBSA-N 2 2 276.405 3.107 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423313816 236035140 /nfs/dbraw/zinc/03/51/40/236035140.db2.gz GCGJCQZRWBSRPD-QPUJVOFHSA-N 2 2 273.207 3.381 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423316227 236035714 /nfs/dbraw/zinc/03/57/14/236035714.db2.gz ATZWJCBPLQVZFR-BDAKNGLRSA-N 2 2 297.196 3.193 20 0 CGADLP Cc1cccc([C@@H]([NH2+][C@H](C)C[NH3+])c2cccc(F)c2)c1 ZINC000423320873 236037673 /nfs/dbraw/zinc/03/76/73/236037673.db2.gz GXJHQZOCNNJPNC-CXAGYDPISA-N 2 2 272.367 3.160 20 0 CGADLP [NH3+][C@H](C[NH2+]C1c2ccccc2-c2ccccc21)C1CC1 ZINC000423336647 236043183 /nfs/dbraw/zinc/04/31/83/236043183.db2.gz XWQXBQGDAVZVAG-QGZVFWFLSA-N 2 2 264.372 3.083 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)s1 ZINC000423355462 236048634 /nfs/dbraw/zinc/04/86/34/236048634.db2.gz FNVPVLQTXIEIHK-UTLUCORTSA-N 2 2 258.818 3.050 20 0 CGADLP COC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Cl)cc1 ZINC000423498522 236087378 /nfs/dbraw/zinc/08/73/78/236087378.db2.gz IBVMYSMHDRWXRC-HOTGVXAUSA-N 2 2 296.842 3.135 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423544424 236096326 /nfs/dbraw/zinc/09/63/26/236096326.db2.gz DABUQMINEFIIFZ-OLZOCXBDSA-N 2 2 298.377 3.389 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423556761 236098152 /nfs/dbraw/zinc/09/81/52/236098152.db2.gz MPZOFIKKDCBOGC-SMDDNHRTSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC000424128553 236122922 /nfs/dbraw/zinc/12/29/22/236122922.db2.gz FQIDUEUVAGDDCR-UHFFFAOYSA-N 2 2 282.378 3.236 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC000424364413 236157553 /nfs/dbraw/zinc/15/75/53/236157553.db2.gz DNGWBSIOCXDEOJ-ZIAGYGMSSA-N 2 2 297.240 3.117 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)c1 ZINC000425342793 236232991 /nfs/dbraw/zinc/23/29/91/236232991.db2.gz ZZLCMIZHHKIRQP-CXAGYDPISA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)c1 ZINC000425342793 236232994 /nfs/dbraw/zinc/23/29/94/236232994.db2.gz ZZLCMIZHHKIRQP-CXAGYDPISA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342793 236232995 /nfs/dbraw/zinc/23/29/95/236232995.db2.gz ZZLCMIZHHKIRQP-CXAGYDPISA-N 2 2 294.389 3.189 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(F)c1 ZINC000425342793 236232997 /nfs/dbraw/zinc/23/29/97/236232997.db2.gz ZZLCMIZHHKIRQP-CXAGYDPISA-N 2 2 294.389 3.189 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ncccc2CC)CC1 ZINC000356872802 283321472 /nfs/dbraw/zinc/32/14/72/283321472.db2.gz PBXADUFKLKBWMI-CQSZACIVSA-N 2 2 275.440 3.169 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000428239149 236383587 /nfs/dbraw/zinc/38/35/87/236383587.db2.gz PPCNKRJEAHXVNN-OCCSQVGLSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000428239149 236383589 /nfs/dbraw/zinc/38/35/89/236383589.db2.gz PPCNKRJEAHXVNN-OCCSQVGLSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000428239149 236383594 /nfs/dbraw/zinc/38/35/94/236383594.db2.gz PPCNKRJEAHXVNN-OCCSQVGLSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000428239149 236383596 /nfs/dbraw/zinc/38/35/96/236383596.db2.gz PPCNKRJEAHXVNN-OCCSQVGLSA-N 2 2 279.428 3.021 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000436408605 237096971 /nfs/dbraw/zinc/09/69/71/237096971.db2.gz JCBBCWNUIPWYNY-KSZLIROESA-N 2 2 295.430 3.199 20 0 CGADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437076347 237241758 /nfs/dbraw/zinc/24/17/58/237241758.db2.gz OFFVQACQASXDGL-CQSZACIVSA-N 2 2 278.415 3.221 20 0 CGADLP CC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000297174392 200105036 /nfs/dbraw/zinc/10/50/36/200105036.db2.gz PSCYQYWUOJTQDP-UHFFFAOYSA-N 2 2 288.435 3.194 20 0 CGADLP CC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000297174392 200105038 /nfs/dbraw/zinc/10/50/38/200105038.db2.gz PSCYQYWUOJTQDP-UHFFFAOYSA-N 2 2 288.435 3.194 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000437776034 237342946 /nfs/dbraw/zinc/34/29/46/237342946.db2.gz OJVKYDXIVLIKFC-BZZMCLGOSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC[N@H+]1C ZINC000437776034 237342954 /nfs/dbraw/zinc/34/29/54/237342954.db2.gz OJVKYDXIVLIKFC-BZZMCLGOSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000437776576 237345248 /nfs/dbraw/zinc/34/52/48/237345248.db2.gz PONWSHKKAOOKLD-DVOMOZLQSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000437776576 237345250 /nfs/dbraw/zinc/34/52/50/237345250.db2.gz PONWSHKKAOOKLD-DVOMOZLQSA-N 2 2 264.388 3.002 20 0 CGADLP CCc1nc(N(C)CC[N@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000341759423 216092803 /nfs/dbraw/zinc/09/28/03/216092803.db2.gz FNLSMAMLVBWVAD-UHFFFAOYSA-N 2 2 290.455 3.048 20 0 CGADLP CCc1nc(N(C)CC[N@@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000341759423 216092806 /nfs/dbraw/zinc/09/28/06/216092806.db2.gz FNLSMAMLVBWVAD-UHFFFAOYSA-N 2 2 290.455 3.048 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000177019267 189020940 /nfs/dbraw/zinc/02/09/40/189020940.db2.gz JFWILTFZZMJVCF-UHFFFAOYSA-N 2 2 284.407 3.422 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000177019267 189020941 /nfs/dbraw/zinc/02/09/41/189020941.db2.gz JFWILTFZZMJVCF-UHFFFAOYSA-N 2 2 284.407 3.422 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(Cl)c1F)Cn1cc[nH+]c1 ZINC000177568396 189057356 /nfs/dbraw/zinc/05/73/56/189057356.db2.gz LQBXODNNFPAXHF-LLVKDONJSA-N 2 2 281.762 3.102 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000179676967 189212914 /nfs/dbraw/zinc/21/29/14/189212914.db2.gz XFKWWFMFMFZVRH-NSHDSACASA-N 2 2 281.762 3.417 20 0 CGADLP C[C@H](C1CC1)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179731113 189216890 /nfs/dbraw/zinc/21/68/90/189216890.db2.gz BRRCOZKGCPEXBZ-GFCCVEGCSA-N 2 2 255.365 3.097 20 0 CGADLP C[C@H](C1CC1)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179731113 189216891 /nfs/dbraw/zinc/21/68/91/189216891.db2.gz BRRCOZKGCPEXBZ-GFCCVEGCSA-N 2 2 255.365 3.097 20 0 CGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517567 189259712 /nfs/dbraw/zinc/25/97/12/189259712.db2.gz SNBSBTOZWOTEAR-LBPRGKRZSA-N 2 2 286.341 3.020 20 0 CGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517567 189259713 /nfs/dbraw/zinc/25/97/13/189259713.db2.gz SNBSBTOZWOTEAR-LBPRGKRZSA-N 2 2 286.341 3.020 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517567 189259714 /nfs/dbraw/zinc/25/97/14/189259714.db2.gz SNBSBTOZWOTEAR-LBPRGKRZSA-N 2 2 286.341 3.020 20 0 CGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc(F)c(F)c(F)c1 ZINC000180517567 189259715 /nfs/dbraw/zinc/25/97/15/189259715.db2.gz SNBSBTOZWOTEAR-LBPRGKRZSA-N 2 2 286.341 3.020 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000422959905 283643532 /nfs/dbraw/zinc/64/35/32/283643532.db2.gz AIJGILXUDBEUIG-GVDBMIGSSA-N 2 2 298.361 3.384 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301496162 201029826 /nfs/dbraw/zinc/02/98/26/201029826.db2.gz BBIWHNUSNBRIIP-CQSZACIVSA-N 2 2 290.455 3.306 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301496162 201029828 /nfs/dbraw/zinc/02/98/28/201029828.db2.gz BBIWHNUSNBRIIP-CQSZACIVSA-N 2 2 290.455 3.306 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C ZINC000182620502 189329277 /nfs/dbraw/zinc/32/92/77/189329277.db2.gz YGYRATILDJEVSU-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C ZINC000182620502 189329278 /nfs/dbraw/zinc/32/92/78/189329278.db2.gz YGYRATILDJEVSU-UHFFFAOYSA-N 2 2 257.381 3.104 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000183161620 189348706 /nfs/dbraw/zinc/34/87/06/189348706.db2.gz CCWQCUJGRCYWSZ-CQSZACIVSA-N 2 2 275.421 3.344 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183161620 189348707 /nfs/dbraw/zinc/34/87/07/189348707.db2.gz CCWQCUJGRCYWSZ-CQSZACIVSA-N 2 2 275.421 3.344 20 0 CGADLP CC(C)c1cc(N2CC[C@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301879099 201246182 /nfs/dbraw/zinc/24/61/82/201246182.db2.gz UTPOIVFGDZYBOS-CQSZACIVSA-N 2 2 290.455 3.111 20 0 CGADLP c1cc2cccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2o1 ZINC000449044606 239138422 /nfs/dbraw/zinc/13/84/22/239138422.db2.gz FDTUYMDNELYQEX-QGZVFWFLSA-N 2 2 294.354 3.481 20 0 CGADLP c1cc2cccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c2o1 ZINC000449044606 239138427 /nfs/dbraw/zinc/13/84/27/239138427.db2.gz FDTUYMDNELYQEX-QGZVFWFLSA-N 2 2 294.354 3.481 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449045010 239138918 /nfs/dbraw/zinc/13/89/18/239138918.db2.gz GRMJVYGJRXGQSC-AEFFLSMTSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000449045010 239138924 /nfs/dbraw/zinc/13/89/24/239138924.db2.gz GRMJVYGJRXGQSC-AEFFLSMTSA-N 2 2 283.419 3.317 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCC4)CC2)ccn1 ZINC000449089181 239170930 /nfs/dbraw/zinc/17/09/30/239170930.db2.gz JTAHINKLGCNKHG-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1cc(F)cc(F)c1 ZINC000449305832 239303984 /nfs/dbraw/zinc/30/39/84/239303984.db2.gz UMHJAFLXKBZDFT-GFCCVEGCSA-N 2 2 282.378 3.142 20 0 CGADLP CCCc1cc(NCc2[nH+]ccn2CC)c2ccccc2[nH+]1 ZINC000450680836 240031896 /nfs/dbraw/zinc/03/18/96/240031896.db2.gz LORRAVWWZCMCKV-UHFFFAOYSA-N 2 2 294.402 3.438 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](C/C=C/C[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451111617 240219559 /nfs/dbraw/zinc/21/95/59/240219559.db2.gz GBOSBQFRXKNZOW-ZOSBBBERSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@]1(F)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111617 240219562 /nfs/dbraw/zinc/21/95/62/240219562.db2.gz GBOSBQFRXKNZOW-ZOSBBBERSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@]1(F)CCC[NH+](C/C=C/C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111617 240219566 /nfs/dbraw/zinc/21/95/66/240219566.db2.gz GBOSBQFRXKNZOW-ZOSBBBERSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000451139501 240227289 /nfs/dbraw/zinc/22/72/89/240227289.db2.gz AIFJYVFIAPWLLO-XQQFMLRXSA-N 2 2 289.345 3.325 20 0 CGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000451139501 240227293 /nfs/dbraw/zinc/22/72/93/240227293.db2.gz AIFJYVFIAPWLLO-XQQFMLRXSA-N 2 2 289.345 3.325 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347875 193007436 /nfs/dbraw/zinc/00/74/36/193007436.db2.gz YMNXOHKUCIGTLX-WFASDCNBSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347875 193007439 /nfs/dbraw/zinc/00/74/39/193007439.db2.gz YMNXOHKUCIGTLX-WFASDCNBSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccccc1Cl ZINC000275347875 193007442 /nfs/dbraw/zinc/00/74/42/193007442.db2.gz YMNXOHKUCIGTLX-WFASDCNBSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccccc1Cl ZINC000275347875 193007445 /nfs/dbraw/zinc/00/74/45/193007445.db2.gz YMNXOHKUCIGTLX-WFASDCNBSA-N 2 2 266.816 3.112 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]C[C@@H]3CC=CCC3)[nH]c2c1 ZINC000120867653 370808590 /nfs/dbraw/zinc/80/85/90/370808590.db2.gz VLGZXBKEPDSFEF-CQSZACIVSA-N 2 2 269.392 3.441 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000459311506 242066482 /nfs/dbraw/zinc/06/64/82/242066482.db2.gz XRZUNKQRGXPCSG-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000459311506 242066484 /nfs/dbraw/zinc/06/64/84/242066484.db2.gz XRZUNKQRGXPCSG-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP CCCc1csc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000459658504 242167333 /nfs/dbraw/zinc/16/73/33/242167333.db2.gz KPZCPSAKCXZFEF-UHFFFAOYSA-N 2 2 286.404 3.033 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000462070682 242327979 /nfs/dbraw/zinc/32/79/79/242327979.db2.gz AMDWZEVKUPAUKH-JQHSSLGASA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000462070682 242327986 /nfs/dbraw/zinc/32/79/86/242327986.db2.gz AMDWZEVKUPAUKH-JQHSSLGASA-N 2 2 274.452 3.470 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](COC)C(C)C)[NH+](C)C)cc1 ZINC000479850637 243127865 /nfs/dbraw/zinc/12/78/65/243127865.db2.gz INNOJKWECDSJDH-QZTJIDSGSA-N 2 2 292.467 3.112 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2c(C)c1 ZINC000482163309 243218235 /nfs/dbraw/zinc/21/82/35/243218235.db2.gz KJONLCXYXQGBKG-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2c(C)c1 ZINC000482163309 243218237 /nfs/dbraw/zinc/21/82/37/243218237.db2.gz KJONLCXYXQGBKG-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2c(C)c1 ZINC000482163309 243218240 /nfs/dbraw/zinc/21/82/40/243218240.db2.gz KJONLCXYXQGBKG-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)cc2c(C)c1 ZINC000482163309 243218244 /nfs/dbraw/zinc/21/82/44/243218244.db2.gz KJONLCXYXQGBKG-DNVCBOLYSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000486247920 243356965 /nfs/dbraw/zinc/35/69/65/243356965.db2.gz BKNXCGAFQVAJSS-UHFFFAOYSA-N 2 2 295.430 3.063 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000343487642 216792995 /nfs/dbraw/zinc/79/29/95/216792995.db2.gz MEICWVKLQZTCCJ-ZACQAIPSSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000343487642 216792996 /nfs/dbraw/zinc/79/29/96/216792996.db2.gz MEICWVKLQZTCCJ-ZACQAIPSSA-N 2 2 299.462 3.243 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1F)C[NH+]1CCCC1 ZINC000125217992 370932873 /nfs/dbraw/zinc/93/28/73/370932873.db2.gz NARAMUZJBGLYLH-GFCCVEGCSA-N 2 2 284.806 3.301 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000019960790 368790793 /nfs/dbraw/zinc/79/07/93/368790793.db2.gz CPTITGJUJYPYDM-WMLDXEAASA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000019960790 368790797 /nfs/dbraw/zinc/79/07/97/368790797.db2.gz CPTITGJUJYPYDM-WMLDXEAASA-N 2 2 260.425 3.384 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000020091942 368800594 /nfs/dbraw/zinc/80/05/94/368800594.db2.gz OSPASXZRFSDPBC-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000020091942 368800598 /nfs/dbraw/zinc/80/05/98/368800598.db2.gz OSPASXZRFSDPBC-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840439 369031808 /nfs/dbraw/zinc/03/18/08/369031808.db2.gz XGSUTYYLTLZHIC-JCYILVPMSA-N 2 2 258.409 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840439 369031818 /nfs/dbraw/zinc/03/18/18/369031818.db2.gz XGSUTYYLTLZHIC-JCYILVPMSA-N 2 2 258.409 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996971 369048391 /nfs/dbraw/zinc/04/83/91/369048391.db2.gz QXHIAKIVLZHVSM-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000036996971 369048395 /nfs/dbraw/zinc/04/83/95/369048395.db2.gz QXHIAKIVLZHVSM-GVDBMIGSSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000036997063 369048724 /nfs/dbraw/zinc/04/87/24/369048724.db2.gz AUDJPNAJVXHOJZ-APHBMKBZSA-N 2 2 262.372 3.103 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000036997063 369048726 /nfs/dbraw/zinc/04/87/26/369048726.db2.gz AUDJPNAJVXHOJZ-APHBMKBZSA-N 2 2 262.372 3.103 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000036932165 369039438 /nfs/dbraw/zinc/03/94/38/369039438.db2.gz XTKJCDGICKCPNZ-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932163 369040240 /nfs/dbraw/zinc/04/02/40/369040240.db2.gz PXHOYUDIPKMELK-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CC[NH+]1CCC(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000037102268 369063259 /nfs/dbraw/zinc/06/32/59/369063259.db2.gz SQDPPBSJRHKDQE-UHFFFAOYSA-N 2 2 273.424 3.183 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037047729 369055765 /nfs/dbraw/zinc/05/57/65/369055765.db2.gz SHCQFGXAGXHCIE-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037047729 369055771 /nfs/dbraw/zinc/05/57/71/369055771.db2.gz SHCQFGXAGXHCIE-YQQAZPJKSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064040 369170375 /nfs/dbraw/zinc/17/03/75/369170375.db2.gz XIOIDTIVLFJJCW-AWEZNQCLSA-N 2 2 257.381 3.357 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000041119312 369174859 /nfs/dbraw/zinc/17/48/59/369174859.db2.gz IVNIORYHPCOJSZ-NSHDSACASA-N 2 2 283.297 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632007 244308075 /nfs/dbraw/zinc/30/80/75/244308075.db2.gz KWPJONMIFNOHEG-KUHUBIRLSA-N 2 2 297.446 3.173 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000494632007 244308078 /nfs/dbraw/zinc/30/80/78/244308078.db2.gz KWPJONMIFNOHEG-KUHUBIRLSA-N 2 2 297.446 3.173 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000494928878 244334124 /nfs/dbraw/zinc/33/41/24/244334124.db2.gz GKDYEIOFELUBKH-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000494928878 244334130 /nfs/dbraw/zinc/33/41/30/244334130.db2.gz GKDYEIOFELUBKH-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000494952755 244335658 /nfs/dbraw/zinc/33/56/58/244335658.db2.gz CYMUIAUYSFGETI-VJDWVQAOSA-N 2 2 260.425 3.312 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)o1 ZINC000051721345 369453021 /nfs/dbraw/zinc/45/30/21/369453021.db2.gz SRZHKKBJGOKMAI-UHFFFAOYSA-N 2 2 286.419 3.454 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)o1 ZINC000051721345 369453027 /nfs/dbraw/zinc/45/30/27/369453027.db2.gz SRZHKKBJGOKMAI-UHFFFAOYSA-N 2 2 286.419 3.454 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H](C)OC)c1ccccc1 ZINC000128098551 370958877 /nfs/dbraw/zinc/95/88/77/370958877.db2.gz SKJMWRJIUIDQDK-BFYDXBDKSA-N 2 2 278.440 3.083 20 0 CGADLP c1ccc([C@@H](C[NH2+][C@@H]2CCCSC2)[NH+]2CCCC2)cc1 ZINC000061571556 369602481 /nfs/dbraw/zinc/60/24/81/369602481.db2.gz FCPFNCHGLJBKCL-IAGOWNOFSA-N 2 2 290.476 3.309 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869884 296148807 /nfs/dbraw/zinc/14/88/07/296148807.db2.gz AWYYRLYVEGXVDF-VKJFTORMSA-N 2 2 287.451 3.078 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C1CCC1 ZINC000192742643 296148884 /nfs/dbraw/zinc/14/88/84/296148884.db2.gz TWWCOGXREHBNKL-KEYYUXOJSA-N 2 2 260.425 3.456 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422732166 296149584 /nfs/dbraw/zinc/14/95/84/296149584.db2.gz PHKGTEHLNQGNCX-SFYZADRCSA-N 2 2 291.197 3.391 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC000507457218 244834372 /nfs/dbraw/zinc/83/43/72/244834372.db2.gz AVHIXVKSEUVMPQ-KSZLIROESA-N 2 2 296.499 3.292 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)[nH]1 ZINC000080984945 369993032 /nfs/dbraw/zinc/99/30/32/369993032.db2.gz VQAJTQUJSODWJW-OAHLLOKOSA-N 2 2 285.391 3.058 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)[nH]1 ZINC000080984945 369993035 /nfs/dbraw/zinc/99/30/35/369993035.db2.gz VQAJTQUJSODWJW-OAHLLOKOSA-N 2 2 285.391 3.058 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597693 370145527 /nfs/dbraw/zinc/14/55/27/370145527.db2.gz IUPNONDFRPRXNZ-ZMSDIMECSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597693 370145530 /nfs/dbraw/zinc/14/55/30/370145530.db2.gz IUPNONDFRPRXNZ-ZMSDIMECSA-N 2 2 288.435 3.321 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC[NH+]1CCCC1 ZINC000512986859 245059470 /nfs/dbraw/zinc/05/94/70/245059470.db2.gz YVIBVJOEDKFQCL-OWBHPGMISA-N 2 2 278.827 3.429 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000219605118 376202109 /nfs/dbraw/zinc/20/21/09/376202109.db2.gz VPMVZOMZFGYUNR-UHFFFAOYSA-N 2 2 273.207 3.177 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000219605118 376202113 /nfs/dbraw/zinc/20/21/13/376202113.db2.gz VPMVZOMZFGYUNR-UHFFFAOYSA-N 2 2 273.207 3.177 20 0 CGADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)N(C)C1CC1 ZINC000131038912 371078739 /nfs/dbraw/zinc/07/87/39/371078739.db2.gz WRLXPBYUHAJGDJ-HUUCEWRRSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131943780 371142162 /nfs/dbraw/zinc/14/21/62/371142162.db2.gz TUMHONPOWJDFRX-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131943780 371142166 /nfs/dbraw/zinc/14/21/66/371142166.db2.gz TUMHONPOWJDFRX-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000131458539 371108663 /nfs/dbraw/zinc/10/86/63/371108663.db2.gz LDHOZSOGQSGFNW-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000131458539 371108665 /nfs/dbraw/zinc/10/86/65/371108665.db2.gz LDHOZSOGQSGFNW-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP CC(C)[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132149053 371154947 /nfs/dbraw/zinc/15/49/47/371154947.db2.gz FCFHAVNKDBJANW-OAHLLOKOSA-N 2 2 271.408 3.108 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000133499803 371256863 /nfs/dbraw/zinc/25/68/63/371256863.db2.gz GPCLHESVUVNRBF-CHWSQXEVSA-N 2 2 295.496 3.261 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@H](C)C1 ZINC000133499803 371256870 /nfs/dbraw/zinc/25/68/70/371256870.db2.gz GPCLHESVUVNRBF-CHWSQXEVSA-N 2 2 295.496 3.261 20 0 CGADLP CC[NH+](CC)CCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000133793718 371280514 /nfs/dbraw/zinc/28/05/14/371280514.db2.gz BROZJVDSDPAHSB-UHFFFAOYSA-N 2 2 278.444 3.442 20 0 CGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136204308 371467980 /nfs/dbraw/zinc/46/79/80/371467980.db2.gz ONQHWNAHFWYVNW-BBRMVZONSA-N 2 2 296.817 3.472 20 0 CGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136204308 371467984 /nfs/dbraw/zinc/46/79/84/371467984.db2.gz ONQHWNAHFWYVNW-BBRMVZONSA-N 2 2 296.817 3.472 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C[N@@H+]1C1CC1 ZINC000286538306 371515656 /nfs/dbraw/zinc/51/56/56/371515656.db2.gz OALYMPAKXWTHJS-SWLSCSKDSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C[N@H+]1C1CC1 ZINC000286538306 371515661 /nfs/dbraw/zinc/51/56/61/371515661.db2.gz OALYMPAKXWTHJS-SWLSCSKDSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]([C@H](C)[NH2+]CCCn1cc[nH+]c1)C1CCCCC1 ZINC000151131077 371573408 /nfs/dbraw/zinc/57/34/08/371573408.db2.gz HZZJPSCDNKUBMU-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000421825019 371646880 /nfs/dbraw/zinc/64/68/80/371646880.db2.gz LIFXWMYMFZPHKM-NWDGAFQWSA-N 2 2 284.831 3.339 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000152786026 371724359 /nfs/dbraw/zinc/72/43/59/371724359.db2.gz XDPMLLWIXGVXLL-KRWDZBQOSA-N 2 2 299.393 3.178 20 0 CGADLP C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422718671 371766184 /nfs/dbraw/zinc/76/61/84/371766184.db2.gz XGHCUEQXTPXOAF-MRVWCRGKSA-N 2 2 286.341 3.410 20 0 CGADLP COC[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000153856726 371793305 /nfs/dbraw/zinc/79/33/05/371793305.db2.gz UVGQXUMEOHUPKK-CVEARBPZSA-N 2 2 290.451 3.275 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422745119 371780145 /nfs/dbraw/zinc/78/01/45/371780145.db2.gz LPOUQNMWQPROSO-PMPSAXMXSA-N 2 2 284.488 3.194 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1OCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422768482 371794687 /nfs/dbraw/zinc/79/46/87/371794687.db2.gz NXZSGIAUEHFYRU-SJORKVTESA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1F ZINC000422789835 371808107 /nfs/dbraw/zinc/80/81/07/371808107.db2.gz WZNGMYRGKOSUPH-PXAZEXFGSA-N 2 2 290.357 3.013 20 0 CGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422869927 371846650 /nfs/dbraw/zinc/84/66/50/371846650.db2.gz BCXJHAMZAKHEJV-CWRNSKLLSA-N 2 2 276.424 3.142 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(N2CCCC2)c1 ZINC000422869880 371847256 /nfs/dbraw/zinc/84/72/56/371847256.db2.gz AWYYRLYVEGXVDF-MPGHIAIKSA-N 2 2 287.451 3.078 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422884045 371854119 /nfs/dbraw/zinc/85/41/19/371854119.db2.gz RLOASKLGLVUWDK-CPUCHLNUSA-N 2 2 276.424 3.265 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1F ZINC000154555282 371854993 /nfs/dbraw/zinc/85/49/93/371854993.db2.gz MVGHVRUWPPODSW-DGCLKSJQSA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1F ZINC000154555282 371855000 /nfs/dbraw/zinc/85/50/00/371855000.db2.gz MVGHVRUWPPODSW-DGCLKSJQSA-N 2 2 282.428 3.292 20 0 CGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422894090 371856699 /nfs/dbraw/zinc/85/66/99/371856699.db2.gz BNRHOEUVLNKDQY-RHSMWYFYSA-N 2 2 276.424 3.096 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916654 371868319 /nfs/dbraw/zinc/86/83/19/371868319.db2.gz BHGPMRMCPQCSAA-KCXAZCMYSA-N 2 2 296.842 3.148 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422919622 371869991 /nfs/dbraw/zinc/86/99/91/371869991.db2.gz KMQNLWOJKICTBR-GZBFAFLISA-N 2 2 296.842 3.228 20 0 CGADLP CN(C)c1ccccc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000289996544 371872613 /nfs/dbraw/zinc/87/26/13/371872613.db2.gz CSKWSXADGNNMPK-UHFFFAOYSA-N 2 2 294.402 3.032 20 0 CGADLP CN(C)c1ccccc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000289996544 371872617 /nfs/dbraw/zinc/87/26/17/371872617.db2.gz CSKWSXADGNNMPK-UHFFFAOYSA-N 2 2 294.402 3.032 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422944278 371883206 /nfs/dbraw/zinc/88/32/06/371883206.db2.gz LGJZKQQDPKOMQB-GJZGRUSLSA-N 2 2 298.377 3.298 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078088 217040955 /nfs/dbraw/zinc/04/09/55/217040955.db2.gz XBXYHBAQJCKEDY-RDTXWAMCSA-N 2 2 299.418 3.283 20 0 CGADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000344078088 217040956 /nfs/dbraw/zinc/04/09/56/217040956.db2.gz XBXYHBAQJCKEDY-RDTXWAMCSA-N 2 2 299.418 3.283 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000290210702 371935771 /nfs/dbraw/zinc/93/57/71/371935771.db2.gz QNNIDTXIYYWWGB-MAUKXSAKSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423050871 371936566 /nfs/dbraw/zinc/93/65/66/371936566.db2.gz MXZHAEXJRFEMEN-XNRPHZJLSA-N 2 2 292.398 3.160 20 0 CGADLP CCCCOc1ncccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422969492 371897692 /nfs/dbraw/zinc/89/76/92/371897692.db2.gz CTVPFBMJLVFYFJ-HZPDHXFCSA-N 2 2 291.439 3.010 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000422988941 371904505 /nfs/dbraw/zinc/90/45/05/371904505.db2.gz JXSRLCAZFDFRAC-IGCXYCKISA-N 2 2 288.391 3.093 20 0 CGADLP COc1ccc([C@H]([NH2+]CC=C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423064647 371943404 /nfs/dbraw/zinc/94/34/04/371943404.db2.gz ADTQWJDFEBCUJY-SJORKVTESA-N 2 2 274.408 3.044 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423008209 371912913 /nfs/dbraw/zinc/91/29/13/371912913.db2.gz SSWLMFKFRHNVQC-VIBAHUMZSA-N 2 2 288.435 3.152 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306032 371960507 /nfs/dbraw/zinc/96/05/07/371960507.db2.gz IIJSZRPZFSYEKG-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306032 371960519 /nfs/dbraw/zinc/96/05/19/371960519.db2.gz IIJSZRPZFSYEKG-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306032 371960533 /nfs/dbraw/zinc/96/05/33/371960533.db2.gz IIJSZRPZFSYEKG-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)[C@H]2C1 ZINC000290306032 371960543 /nfs/dbraw/zinc/96/05/43/371960543.db2.gz IIJSZRPZFSYEKG-YXQAPJRESA-N 2 2 292.373 3.004 20 0 CGADLP COC(C)(C)C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290305559 371960829 /nfs/dbraw/zinc/96/08/29/371960829.db2.gz IGRUQERQUPCHKV-CQSZACIVSA-N 2 2 264.413 3.116 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000290384579 371977959 /nfs/dbraw/zinc/97/79/59/371977959.db2.gz OFLKBVBYNBLBTM-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1ccoc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423128979 371980563 /nfs/dbraw/zinc/98/05/63/371980563.db2.gz LMYRVIJARLEAEX-HOTGVXAUSA-N 2 2 270.376 3.171 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423134458 371984475 /nfs/dbraw/zinc/98/44/75/371984475.db2.gz RYGXCABFPUNLKR-HZSPNIEDSA-N 2 2 296.361 3.038 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037320324 541863866 /nfs/dbraw/zinc/86/38/66/541863866.db2.gz YFZSGCCUNPDCEA-SMDDNHRTSA-N 2 2 291.395 3.237 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423080413 371951755 /nfs/dbraw/zinc/95/17/55/371951755.db2.gz SLFKAESNEULVKA-GUYCJALGSA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1OC ZINC000423190367 372017707 /nfs/dbraw/zinc/01/77/07/372017707.db2.gz NTRALFSXFYSLIO-TZMCWYRMSA-N 2 2 282.815 3.141 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423196227 372020727 /nfs/dbraw/zinc/02/07/27/372020727.db2.gz UXGSSVPRFNMDRW-SWLSCSKDSA-N 2 2 268.351 3.004 20 0 CGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423205183 372028190 /nfs/dbraw/zinc/02/81/90/372028190.db2.gz BAXHBIWVRHCMSH-ZFWWWQNUSA-N 2 2 273.424 3.377 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423211186 372032113 /nfs/dbraw/zinc/03/21/13/372032113.db2.gz IFUQHNVCDJKPFM-GXTWGEPZSA-N 2 2 272.417 3.428 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423215772 372035857 /nfs/dbraw/zinc/03/58/57/372035857.db2.gz OUQXKNOYZMPFSY-FUHWJXTLSA-N 2 2 284.378 3.061 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000423245618 372042433 /nfs/dbraw/zinc/04/24/33/372042433.db2.gz OYNCGZKYJMMCLH-GVDBMIGSSA-N 2 2 288.435 3.014 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C1CC1 ZINC000423279278 372046909 /nfs/dbraw/zinc/04/69/09/372046909.db2.gz RBWGENHZATUYFP-QWHCGFSZSA-N 2 2 285.218 3.308 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)oc21 ZINC000423177659 372007277 /nfs/dbraw/zinc/00/72/77/372007277.db2.gz BBIOGNOMNCZPNT-OCCSQVGLSA-N 2 2 288.391 3.234 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184369 372013488 /nfs/dbraw/zinc/01/34/88/372013488.db2.gz IMMWFRNZJRYDFY-TVQRCGJNSA-N 2 2 285.218 3.322 20 0 CGADLP COC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000344222973 217107593 /nfs/dbraw/zinc/10/75/93/217107593.db2.gz MSVQLNHAJMSLHZ-INIZCTEOSA-N 2 2 296.842 3.103 20 0 CGADLP C[C@@H]([NH2+]CCC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000293049848 372289658 /nfs/dbraw/zinc/28/96/58/372289658.db2.gz YAAWUTQMBQLLDL-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672967 541870560 /nfs/dbraw/zinc/87/05/60/541870560.db2.gz CZLYRYRGWQAXMM-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672967 541870565 /nfs/dbraw/zinc/87/05/65/541870565.db2.gz CZLYRYRGWQAXMM-RDJZCZTQSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653543 372243747 /nfs/dbraw/zinc/24/37/47/372243747.db2.gz SKHZHWGZOGEFDN-JSGCOSHPSA-N 2 2 280.362 3.209 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653543 372243758 /nfs/dbraw/zinc/24/37/58/372243758.db2.gz SKHZHWGZOGEFDN-JSGCOSHPSA-N 2 2 280.362 3.209 20 0 CGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000429053770 372309549 /nfs/dbraw/zinc/30/95/49/372309549.db2.gz GJDFZVZALVWYKI-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000429053770 372309553 /nfs/dbraw/zinc/30/95/53/372309553.db2.gz GJDFZVZALVWYKI-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429129456 372316880 /nfs/dbraw/zinc/31/68/80/372316880.db2.gz RZRVKFDHADVQGF-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429129456 372316882 /nfs/dbraw/zinc/31/68/82/372316882.db2.gz RZRVKFDHADVQGF-HNNXBMFYSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc2cccnc12 ZINC000344330067 217153691 /nfs/dbraw/zinc/15/36/91/217153691.db2.gz USEHCQKLEQXIMM-PBHICJAKSA-N 2 2 283.419 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc2cccnc12 ZINC000344330067 217153694 /nfs/dbraw/zinc/15/36/94/217153694.db2.gz USEHCQKLEQXIMM-PBHICJAKSA-N 2 2 283.419 3.116 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@@H+]1C ZINC000344355437 217167354 /nfs/dbraw/zinc/16/73/54/217167354.db2.gz LMSMAFRLPDTMGB-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@H+]1C ZINC000344355437 217167357 /nfs/dbraw/zinc/16/73/57/217167357.db2.gz LMSMAFRLPDTMGB-KSSFIOAISA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432231554 372549716 /nfs/dbraw/zinc/54/97/16/372549716.db2.gz IGHDRCSXUWCLOZ-QMMMGPOBSA-N 2 2 290.219 3.430 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CCC2 ZINC000166316861 372570011 /nfs/dbraw/zinc/57/00/11/372570011.db2.gz QQXFVOYERAKGRB-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CCC2 ZINC000166316861 372570018 /nfs/dbraw/zinc/57/00/18/372570018.db2.gz QQXFVOYERAKGRB-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccccc32)CC[N@@H+]1C ZINC000168709122 372617659 /nfs/dbraw/zinc/61/76/59/372617659.db2.gz YKABKDLOUBBFNZ-OCCSQVGLSA-N 2 2 255.365 3.129 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccccc32)CC[N@H+]1C ZINC000168709122 372617667 /nfs/dbraw/zinc/61/76/67/372617667.db2.gz YKABKDLOUBBFNZ-OCCSQVGLSA-N 2 2 255.365 3.129 20 0 CGADLP c1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435052993 372729721 /nfs/dbraw/zinc/72/97/21/372729721.db2.gz LEYKBRWTIIPDAV-QXAKKESOSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@H]2C[C@H]2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435052993 372729727 /nfs/dbraw/zinc/72/97/27/372729727.db2.gz LEYKBRWTIIPDAV-QXAKKESOSA-N 2 2 294.398 3.338 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434789874 372711315 /nfs/dbraw/zinc/71/13/15/372711315.db2.gz OUIBZMQVZOBFPM-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434789874 372711320 /nfs/dbraw/zinc/71/13/20/372711320.db2.gz OUIBZMQVZOBFPM-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000435743504 372801218 /nfs/dbraw/zinc/80/12/18/372801218.db2.gz AIWQZPBRFXEKRC-CSFVBSKPSA-N 2 2 276.399 3.002 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000435743504 372801219 /nfs/dbraw/zinc/80/12/19/372801219.db2.gz AIWQZPBRFXEKRC-CSFVBSKPSA-N 2 2 276.399 3.002 20 0 CGADLP OCCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000344637072 217256811 /nfs/dbraw/zinc/25/68/11/217256811.db2.gz ORUAJHJSLTWZAD-UHFFFAOYSA-N 2 2 299.418 3.047 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000438081893 372872089 /nfs/dbraw/zinc/87/20/89/372872089.db2.gz PVTJCFFWLUEMRH-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000438081893 372872096 /nfs/dbraw/zinc/87/20/96/372872096.db2.gz PVTJCFFWLUEMRH-HUUCEWRRSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933582 372857736 /nfs/dbraw/zinc/85/77/36/372857736.db2.gz PSHVEGUWKDOZTN-ZDUSSCGKSA-N 2 2 273.355 3.420 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000221972554 261353059 /nfs/dbraw/zinc/35/30/59/261353059.db2.gz CMCLYPUTZSVUIZ-WMLDXEAASA-N 2 2 280.431 3.323 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000438348214 372931630 /nfs/dbraw/zinc/93/16/30/372931630.db2.gz WZSBNTYDGOIFQH-INIZCTEOSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000295897567 372949111 /nfs/dbraw/zinc/94/91/11/372949111.db2.gz YUQQUWKTIOOBMG-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000295897567 372949116 /nfs/dbraw/zinc/94/91/16/372949116.db2.gz YUQQUWKTIOOBMG-LJQANCHMSA-N 2 2 295.430 3.144 20 0 CGADLP CCCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000344759154 217301158 /nfs/dbraw/zinc/30/11/58/217301158.db2.gz PMNKYSXKTUCGRU-AWEZNQCLSA-N 2 2 270.461 3.044 20 0 CGADLP Cc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1F ZINC000296437499 373133623 /nfs/dbraw/zinc/13/36/23/373133623.db2.gz NMWXFWKAFYCPJB-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H]3CCCc4occc43)c[nH+]c12 ZINC000174265267 373278252 /nfs/dbraw/zinc/27/82/52/373278252.db2.gz FFHYLQXZQIXXQE-HNNXBMFYSA-N 2 2 281.359 3.403 20 0 CGADLP C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297799230 373281957 /nfs/dbraw/zinc/28/19/57/373281957.db2.gz XGMNPSAJIYDLNA-MAUKXSAKSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297799230 373281961 /nfs/dbraw/zinc/28/19/61/373281961.db2.gz XGMNPSAJIYDLNA-MAUKXSAKSA-N 2 2 283.419 3.436 20 0 CGADLP Cc1[nH+]ccn1CCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000298529491 373348977 /nfs/dbraw/zinc/34/89/77/373348977.db2.gz ZDPZSUBCYOJFOV-UHFFFAOYSA-N 2 2 268.364 3.248 20 0 CGADLP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000344987180 217377959 /nfs/dbraw/zinc/37/79/59/217377959.db2.gz UQLFSRNBQDORNF-WBVHZDCISA-N 2 2 285.391 3.198 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000447587161 373458380 /nfs/dbraw/zinc/45/83/80/373458380.db2.gz PDTTVBVZNIURSL-KBXIAJHMSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000447587161 373458387 /nfs/dbraw/zinc/45/83/87/373458387.db2.gz PDTTVBVZNIURSL-KBXIAJHMSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000447940684 373526680 /nfs/dbraw/zinc/52/66/80/373526680.db2.gz ORDQANGTOTYGCW-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@H+]1C ZINC000447940684 373526683 /nfs/dbraw/zinc/52/66/83/373526683.db2.gz ORDQANGTOTYGCW-RYUDHWBXSA-N 2 2 281.469 3.013 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447941868 373528243 /nfs/dbraw/zinc/52/82/43/373528243.db2.gz LLQCRQKBSIERLG-UHFFFAOYSA-N 2 2 283.485 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000177340511 373676090 /nfs/dbraw/zinc/67/60/90/373676090.db2.gz BRWXCHOVEWXSTI-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000177340511 373676099 /nfs/dbraw/zinc/67/60/99/373676099.db2.gz BRWXCHOVEWXSTI-RHSMWYFYSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000353663589 220236471 /nfs/dbraw/zinc/23/64/71/220236471.db2.gz VKNQBVIPOKQWMH-CALCHBBNSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000353663589 220236474 /nfs/dbraw/zinc/23/64/74/220236474.db2.gz VKNQBVIPOKQWMH-CALCHBBNSA-N 2 2 258.409 3.445 20 0 CGADLP Cc1csc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000449477381 373764623 /nfs/dbraw/zinc/76/46/23/373764623.db2.gz HXOLOFLSRVOFPS-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178327960 373767166 /nfs/dbraw/zinc/76/71/66/373767166.db2.gz VKSMPGGWVBWOBN-HUUCEWRRSA-N 2 2 296.480 3.064 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178327960 373767171 /nfs/dbraw/zinc/76/71/71/373767171.db2.gz VKSMPGGWVBWOBN-HUUCEWRRSA-N 2 2 296.480 3.064 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[N@@H+]1C ZINC000178701948 373805815 /nfs/dbraw/zinc/80/58/15/373805815.db2.gz MNSSOGDGHRWTCO-LZQZEXGQSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC[N@H+]1C ZINC000178701948 373805819 /nfs/dbraw/zinc/80/58/19/373805819.db2.gz MNSSOGDGHRWTCO-LZQZEXGQSA-N 2 2 295.430 3.243 20 0 CGADLP CCC[NH+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000301889716 373810902 /nfs/dbraw/zinc/81/09/02/373810902.db2.gz SUPVZOYRQPYENY-UHFFFAOYSA-N 2 2 290.455 3.255 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCCC3(F)F)n2c1 ZINC000449491740 373782195 /nfs/dbraw/zinc/78/21/95/373782195.db2.gz HUELVCNFIHIENQ-GFCCVEGCSA-N 2 2 279.334 3.168 20 0 CGADLP Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000302488382 373877386 /nfs/dbraw/zinc/87/73/86/373877386.db2.gz YKPSMOFINCKRKL-GFCCVEGCSA-N 2 2 276.428 3.016 20 0 CGADLP Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000302488382 373877392 /nfs/dbraw/zinc/87/73/92/373877392.db2.gz YKPSMOFINCKRKL-GFCCVEGCSA-N 2 2 276.428 3.016 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000179705347 373907532 /nfs/dbraw/zinc/90/75/32/373907532.db2.gz AVDBXHACCQWFGE-KRWDZBQOSA-N 2 2 291.398 3.399 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000179705347 373907538 /nfs/dbraw/zinc/90/75/38/373907538.db2.gz AVDBXHACCQWFGE-KRWDZBQOSA-N 2 2 291.398 3.399 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180433145 374006450 /nfs/dbraw/zinc/00/64/50/374006450.db2.gz KOSIULZTERKCBT-CQSZACIVSA-N 2 2 277.371 3.281 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180433145 374006462 /nfs/dbraw/zinc/00/64/62/374006462.db2.gz KOSIULZTERKCBT-CQSZACIVSA-N 2 2 277.371 3.281 20 0 CGADLP CC(C)C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180199732 373975834 /nfs/dbraw/zinc/97/58/34/373975834.db2.gz ZBQGVLPEGHNZSJ-CQSZACIVSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180199732 373975845 /nfs/dbraw/zinc/97/58/45/373975845.db2.gz ZBQGVLPEGHNZSJ-CQSZACIVSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309778169 374196721 /nfs/dbraw/zinc/19/67/21/374196721.db2.gz CXWRZKRVTKQWEZ-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000309778169 374196725 /nfs/dbraw/zinc/19/67/25/374196725.db2.gz CXWRZKRVTKQWEZ-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000309863707 374201445 /nfs/dbraw/zinc/20/14/45/374201445.db2.gz DXBDCLHYFMYCOI-JJRVBVJISA-N 2 2 258.409 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000309863707 374201452 /nfs/dbraw/zinc/20/14/52/374201452.db2.gz DXBDCLHYFMYCOI-JJRVBVJISA-N 2 2 258.409 3.038 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000310153739 374210075 /nfs/dbraw/zinc/21/00/75/374210075.db2.gz GNDRSMOUBXRPLP-LEWSCRJBSA-N 2 2 252.789 3.213 20 0 CGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000310153739 374210079 /nfs/dbraw/zinc/21/00/79/374210079.db2.gz GNDRSMOUBXRPLP-LEWSCRJBSA-N 2 2 252.789 3.213 20 0 CGADLP C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892200 374308427 /nfs/dbraw/zinc/30/84/27/374308427.db2.gz RPRFUAUAJQCMNO-ROUUACIJSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892200 374308432 /nfs/dbraw/zinc/30/84/32/374308432.db2.gz RPRFUAUAJQCMNO-ROUUACIJSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccsc1Cl ZINC000312565889 374285102 /nfs/dbraw/zinc/28/51/02/374285102.db2.gz DGVFTARNOPXWEW-LLVKDONJSA-N 2 2 260.834 3.207 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccsc1Cl ZINC000312565889 374285108 /nfs/dbraw/zinc/28/51/08/374285108.db2.gz DGVFTARNOPXWEW-LLVKDONJSA-N 2 2 260.834 3.207 20 0 CGADLP CCC1([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000453287934 374394105 /nfs/dbraw/zinc/39/41/05/374394105.db2.gz LDIMEHKBOBOBIH-GOEBONIOSA-N 2 2 258.409 3.354 20 0 CGADLP CCC1([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000453287934 374394110 /nfs/dbraw/zinc/39/41/10/374394110.db2.gz LDIMEHKBOBOBIH-GOEBONIOSA-N 2 2 258.409 3.354 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccsc1 ZINC000453277852 374385891 /nfs/dbraw/zinc/38/58/91/374385891.db2.gz YMONASPFUWFJNW-HOTGVXAUSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccsc1 ZINC000453277852 374385896 /nfs/dbraw/zinc/38/58/96/374385896.db2.gz YMONASPFUWFJNW-HOTGVXAUSA-N 2 2 296.480 3.026 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146771 206079590 /nfs/dbraw/zinc/07/95/90/206079590.db2.gz REHRQBYPPLMGKL-CABCVRRESA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146771 206079592 /nfs/dbraw/zinc/07/95/92/206079592.db2.gz REHRQBYPPLMGKL-CABCVRRESA-N 2 2 289.423 3.081 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000091335516 541966280 /nfs/dbraw/zinc/96/62/80/541966280.db2.gz IHFVHSNLXSWQLX-ROUUACIJSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000091335516 541966284 /nfs/dbraw/zinc/96/62/84/541966284.db2.gz IHFVHSNLXSWQLX-ROUUACIJSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000334235527 206234397 /nfs/dbraw/zinc/23/43/97/206234397.db2.gz KJWRKBRANFXYIF-INIZCTEOSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000334235527 206234400 /nfs/dbraw/zinc/23/44/00/206234400.db2.gz KJWRKBRANFXYIF-INIZCTEOSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000334235527 206234404 /nfs/dbraw/zinc/23/44/04/206234404.db2.gz KJWRKBRANFXYIF-INIZCTEOSA-N 2 2 293.480 3.184 20 0 CGADLP CC(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000334235527 206234406 /nfs/dbraw/zinc/23/44/06/206234406.db2.gz KJWRKBRANFXYIF-INIZCTEOSA-N 2 2 293.480 3.184 20 0 CGADLP COc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000185675408 374712484 /nfs/dbraw/zinc/71/24/84/374712484.db2.gz XDSVZVKEBNJQEV-HNAYVOBHSA-N 2 2 298.430 3.476 20 0 CGADLP CC(C)c1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000185697426 374716802 /nfs/dbraw/zinc/71/68/02/374716802.db2.gz YTKSKBDEWFGJBU-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP CC(C)c1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000185697426 374716811 /nfs/dbraw/zinc/71/68/11/374716811.db2.gz YTKSKBDEWFGJBU-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858198 /nfs/dbraw/zinc/85/81/98/374858198.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858207 /nfs/dbraw/zinc/85/82/07/374858207.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858213 /nfs/dbraw/zinc/85/82/13/374858213.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000334559180 374858222 /nfs/dbraw/zinc/85/82/22/374858222.db2.gz ADYWGGMRGPCGQK-YJBOKZPZSA-N 2 2 297.446 3.458 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccsc1 ZINC000187695276 375075330 /nfs/dbraw/zinc/07/53/30/375075330.db2.gz QTVVAEANNKMXGH-JKSUJKDBSA-N 2 2 296.480 3.290 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccsc1 ZINC000187695276 375075334 /nfs/dbraw/zinc/07/53/34/375075334.db2.gz QTVVAEANNKMXGH-JKSUJKDBSA-N 2 2 296.480 3.290 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000335059749 375098455 /nfs/dbraw/zinc/09/84/55/375098455.db2.gz OLTIRNWQECKMGL-HTQZYQBOSA-N 2 2 265.209 3.024 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334992020 375056867 /nfs/dbraw/zinc/05/68/67/375056867.db2.gz HWMNWRJRKBFBCU-MRXNPFEDSA-N 2 2 280.362 3.200 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334992020 375056871 /nfs/dbraw/zinc/05/68/71/375056871.db2.gz HWMNWRJRKBFBCU-MRXNPFEDSA-N 2 2 280.362 3.200 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000474705120 375127467 /nfs/dbraw/zinc/12/74/67/375127467.db2.gz CBHOQTGKLRHFMD-YESZJQIVSA-N 2 2 282.472 3.046 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000474705120 375127477 /nfs/dbraw/zinc/12/74/77/375127477.db2.gz CBHOQTGKLRHFMD-YESZJQIVSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149598 375176174 /nfs/dbraw/zinc/17/61/74/375176174.db2.gz NPAHJMAWMGACNP-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1Cl ZINC000335149598 375176179 /nfs/dbraw/zinc/17/61/79/375176179.db2.gz NPAHJMAWMGACNP-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1Cl ZINC000335149598 375176182 /nfs/dbraw/zinc/17/61/82/375176182.db2.gz NPAHJMAWMGACNP-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1Cl ZINC000335149598 375176185 /nfs/dbraw/zinc/17/61/85/375176185.db2.gz NPAHJMAWMGACNP-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188446323 375216876 /nfs/dbraw/zinc/21/68/76/375216876.db2.gz KOTFNOMZIRHNMN-QGZVFWFLSA-N 2 2 258.409 3.207 20 0 CGADLP CC(C)=CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188446323 375216880 /nfs/dbraw/zinc/21/68/80/375216880.db2.gz KOTFNOMZIRHNMN-QGZVFWFLSA-N 2 2 258.409 3.207 20 0 CGADLP C(=C/c1ccncc1)\C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000487279330 375217966 /nfs/dbraw/zinc/21/79/66/375217966.db2.gz NZATWRDLQOBLGO-DUXPYHPUSA-N 2 2 290.370 3.070 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357588 296227770 /nfs/dbraw/zinc/22/77/70/296227770.db2.gz DNIXJWUDQWEDRH-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357588 296227772 /nfs/dbraw/zinc/22/77/72/296227772.db2.gz DNIXJWUDQWEDRH-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491596593 375336933 /nfs/dbraw/zinc/33/69/33/375336933.db2.gz MASUFZUHLMRUBM-LBPRGKRZSA-N 2 2 284.831 3.026 20 0 CGADLP CC[N@H+](CCNc1cccc(C)[nH+]1)CCC(F)(F)F ZINC000491600460 375337550 /nfs/dbraw/zinc/33/75/50/375337550.db2.gz CCRGCWCCLAPENY-UHFFFAOYSA-N 2 2 275.318 3.076 20 0 CGADLP CC[N@@H+](CCNc1cccc(C)[nH+]1)CCC(F)(F)F ZINC000491600460 375337554 /nfs/dbraw/zinc/33/75/54/375337554.db2.gz CCRGCWCCLAPENY-UHFFFAOYSA-N 2 2 275.318 3.076 20 0 CGADLP O=C(/C=C\C1CCCCC1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491894186 375360375 /nfs/dbraw/zinc/36/03/75/375360375.db2.gz RKTDWJYLLFHBQY-SREVYHEPSA-N 2 2 296.374 3.342 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000189934174 375460236 /nfs/dbraw/zinc/46/02/36/375460236.db2.gz GIWOQVREMBFRMI-UHFFFAOYSA-N 2 2 269.458 3.008 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000336063887 375656638 /nfs/dbraw/zinc/65/66/38/375656638.db2.gz KLOAHVNTCQRYLQ-LLVKDONJSA-N 2 2 276.355 3.317 20 0 CGADLP CCC1(C)CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336101139 375686508 /nfs/dbraw/zinc/68/65/08/375686508.db2.gz PQNHEIYIPWPWSI-BBBYJDLNSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000336100926 375687323 /nfs/dbraw/zinc/68/73/23/375687323.db2.gz NAGIADOLQRDUPP-NEPJUHHUSA-N 2 2 275.783 3.202 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000336103666 375688240 /nfs/dbraw/zinc/68/82/40/375688240.db2.gz QSQCZMMRLKSHJH-LLVKDONJSA-N 2 2 296.201 3.295 20 0 CGADLP COC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192024425 375689905 /nfs/dbraw/zinc/68/99/05/375689905.db2.gz CTQWYKCNVFHNHK-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP COC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192024425 375689911 /nfs/dbraw/zinc/68/99/11/375689911.db2.gz CTQWYKCNVFHNHK-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857806 375764248 /nfs/dbraw/zinc/76/42/48/375764248.db2.gz GEONKQDADUWDQC-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857806 375764255 /nfs/dbraw/zinc/76/42/55/375764255.db2.gz GEONKQDADUWDQC-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857806 375764260 /nfs/dbraw/zinc/76/42/60/375764260.db2.gz GEONKQDADUWDQC-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC000508857806 375764264 /nfs/dbraw/zinc/76/42/64/375764264.db2.gz GEONKQDADUWDQC-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCC1 ZINC000192655006 375776120 /nfs/dbraw/zinc/77/61/20/375776120.db2.gz TZHJYENBEIAQNA-YJBOKZPZSA-N 2 2 287.451 3.397 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000514724173 375805735 /nfs/dbraw/zinc/80/57/35/375805735.db2.gz CUPXOISGUJFUJB-CYBMUJFWSA-N 2 2 296.349 3.101 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000193111168 375827653 /nfs/dbraw/zinc/82/76/53/375827653.db2.gz OCEQZWNVYWKRHW-CYBMUJFWSA-N 2 2 299.374 3.379 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130567388 542064656 /nfs/dbraw/zinc/06/46/56/542064656.db2.gz QVWXSKHZCVTYHQ-GOSISDBHSA-N 2 2 291.398 3.462 20 0 CGADLP C[C@H](C[NH2+]Cc1c(Cl)oc2ccccc21)C[NH+](C)C ZINC000336813105 375966802 /nfs/dbraw/zinc/96/68/02/375966802.db2.gz BQKLGRYCJHBQQT-LLVKDONJSA-N 2 2 280.799 3.374 20 0 CGADLP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1C ZINC000194286552 375978197 /nfs/dbraw/zinc/97/81/97/375978197.db2.gz QXOKWQBOCHJEIO-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996980 376008931 /nfs/dbraw/zinc/00/89/31/376008931.db2.gz YVUYDPIYKKXRAD-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996980 376008938 /nfs/dbraw/zinc/00/89/38/376008938.db2.gz YVUYDPIYKKXRAD-MLGOLLRUSA-N 2 2 278.827 3.259 20 0 CGADLP CCCc1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000194557757 376018175 /nfs/dbraw/zinc/01/81/75/376018175.db2.gz OPIUWVGUKTUVMF-UHFFFAOYSA-N 2 2 280.375 3.378 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891758 376020681 /nfs/dbraw/zinc/02/06/81/376020681.db2.gz IWBCWMOFNHGMIF-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891758 376020688 /nfs/dbraw/zinc/02/06/88/376020688.db2.gz IWBCWMOFNHGMIF-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313989 376034871 /nfs/dbraw/zinc/03/48/71/376034871.db2.gz OAWCBNKYVZHBMA-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535313989 376034877 /nfs/dbraw/zinc/03/48/77/376034877.db2.gz OAWCBNKYVZHBMA-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP c1csc(-c2nc(C[NH2+]CCC[NH+]3CCC3)cs2)c1 ZINC000535759977 376056493 /nfs/dbraw/zinc/05/64/93/376056493.db2.gz ABKOHWZJJASSJD-UHFFFAOYSA-N 2 2 293.461 3.057 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1C(F)(F)F ZINC000536875874 376139635 /nfs/dbraw/zinc/13/96/35/376139635.db2.gz JHCUNVRDLXZWJF-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1C(F)(F)F ZINC000536875874 376139644 /nfs/dbraw/zinc/13/96/44/376139644.db2.gz JHCUNVRDLXZWJF-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000221147489 376212548 /nfs/dbraw/zinc/21/25/48/376212548.db2.gz BOWVVLRPVLKMRH-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000221147489 376212557 /nfs/dbraw/zinc/21/25/57/376212557.db2.gz BOWVVLRPVLKMRH-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000221296012 376213558 /nfs/dbraw/zinc/21/35/58/376213558.db2.gz LIZFANJUUFBLHV-INIZCTEOSA-N 2 2 282.431 3.358 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000221277698 376214800 /nfs/dbraw/zinc/21/48/00/376214800.db2.gz QSBMXRCJUVAGPR-QWRGUYRKSA-N 2 2 270.779 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000221277698 376214803 /nfs/dbraw/zinc/21/48/03/376214803.db2.gz QSBMXRCJUVAGPR-QWRGUYRKSA-N 2 2 270.779 3.081 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000538062667 376219627 /nfs/dbraw/zinc/21/96/27/376219627.db2.gz UAHOJTDAAQBEFE-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000538062667 376219631 /nfs/dbraw/zinc/21/96/31/376219631.db2.gz UAHOJTDAAQBEFE-MAUKXSAKSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[N@@H+]1C1CC1 ZINC000221861388 376223823 /nfs/dbraw/zinc/22/38/23/376223823.db2.gz PVMJCXXSYPUBQU-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)C[N@H+]1C1CC1 ZINC000221861388 376223826 /nfs/dbraw/zinc/22/38/26/376223826.db2.gz PVMJCXXSYPUBQU-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]CC1(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000222180881 376231383 /nfs/dbraw/zinc/23/13/83/376231383.db2.gz XICXWSKKJTUHLU-ZDUSSCGKSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@@H]([NH2+]CC1(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000222180826 376231873 /nfs/dbraw/zinc/23/18/73/376231873.db2.gz XICXWSKKJTUHLU-CYBMUJFWSA-N 2 2 255.365 3.323 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000223030429 376245058 /nfs/dbraw/zinc/24/50/58/376245058.db2.gz HOQXQKRDJKILNK-STQMWFEESA-N 2 2 277.799 3.146 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000538971841 376283167 /nfs/dbraw/zinc/28/31/67/376283167.db2.gz SHHWDGORVZIQQL-YQQAZPJKSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000538971841 376283174 /nfs/dbraw/zinc/28/31/74/376283174.db2.gz SHHWDGORVZIQQL-YQQAZPJKSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000226319613 376351751 /nfs/dbraw/zinc/35/17/51/376351751.db2.gz FASZLNNQZGJAGF-HUUCEWRRSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000226319613 376351758 /nfs/dbraw/zinc/35/17/58/376351758.db2.gz FASZLNNQZGJAGF-HUUCEWRRSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000539650990 376323525 /nfs/dbraw/zinc/32/35/25/376323525.db2.gz SXNGWDILSIDYNV-KBRIMQKVSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000539650990 376323529 /nfs/dbraw/zinc/32/35/29/376323529.db2.gz SXNGWDILSIDYNV-KBRIMQKVSA-N 2 2 272.436 3.240 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539653909 376324861 /nfs/dbraw/zinc/32/48/61/376324861.db2.gz DEYFODFJEMKWCP-WMLDXEAASA-N 2 2 270.420 3.182 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539653909 376324872 /nfs/dbraw/zinc/32/48/72/376324872.db2.gz DEYFODFJEMKWCP-WMLDXEAASA-N 2 2 270.420 3.182 20 0 CGADLP CC1(C)C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000226257804 376348538 /nfs/dbraw/zinc/34/85/38/376348538.db2.gz HZALVWHUWSBNRQ-AWEZNQCLSA-N 2 2 255.365 3.008 20 0 CGADLP CO[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000338254629 376298569 /nfs/dbraw/zinc/29/85/69/376298569.db2.gz XWUYIMRDDYAXSP-MRXNPFEDSA-N 2 2 296.842 3.054 20 0 CGADLP Fc1cc(F)c(C[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000225249468 376298700 /nfs/dbraw/zinc/29/87/00/376298700.db2.gz ZZZNQCWCWAKPIW-UHFFFAOYSA-N 2 2 286.341 3.070 20 0 CGADLP c1cn(CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000540576054 376383126 /nfs/dbraw/zinc/38/31/26/376383126.db2.gz SGDRBVTVHZYGRT-SJORKVTESA-N 2 2 269.392 3.057 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000541846895 376485570 /nfs/dbraw/zinc/48/55/70/376485570.db2.gz JWYBYUCPXAHMFG-QZCPTFHJSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000541846895 376485582 /nfs/dbraw/zinc/48/55/82/376485582.db2.gz JWYBYUCPXAHMFG-QZCPTFHJSA-N 2 2 284.447 3.382 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702409 376570548 /nfs/dbraw/zinc/57/05/48/376570548.db2.gz VMFZZAAHGHXHDR-WSNITJDQSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702409 376570552 /nfs/dbraw/zinc/57/05/52/376570552.db2.gz VMFZZAAHGHXHDR-WSNITJDQSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702409 376570556 /nfs/dbraw/zinc/57/05/56/376570556.db2.gz VMFZZAAHGHXHDR-WSNITJDQSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000542702409 376570560 /nfs/dbraw/zinc/57/05/60/376570560.db2.gz VMFZZAAHGHXHDR-WSNITJDQSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C1CC(C)C1)c1ccccc1 ZINC000231786975 376573157 /nfs/dbraw/zinc/57/31/57/376573157.db2.gz QAUCGXNLEDKCQL-BDVYOWHSSA-N 2 2 260.425 3.458 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000234380502 376617593 /nfs/dbraw/zinc/61/75/93/376617593.db2.gz HMZLGRWRWOUKAS-CQSZACIVSA-N 2 2 266.816 3.080 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC000234380502 376617605 /nfs/dbraw/zinc/61/76/05/376617605.db2.gz HMZLGRWRWOUKAS-CQSZACIVSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000235216967 376634457 /nfs/dbraw/zinc/63/44/57/376634457.db2.gz BRMAFKSXRZZYAW-MFKMUULPSA-N 2 2 281.469 3.189 20 0 CGADLP COC1(CC[N@@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032644 376638136 /nfs/dbraw/zinc/63/81/36/376638136.db2.gz MSCFQUHEXPRORU-ULQDDVLXSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(CC[N@H+]2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CCC1 ZINC000339032644 376638142 /nfs/dbraw/zinc/63/81/42/376638142.db2.gz MSCFQUHEXPRORU-ULQDDVLXSA-N 2 2 294.483 3.283 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000237156094 376732878 /nfs/dbraw/zinc/73/28/78/376732878.db2.gz KBNQEPWCMLUSAJ-QZTJIDSGSA-N 2 2 272.436 3.105 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CCCO1 ZINC000544356538 376725255 /nfs/dbraw/zinc/72/52/55/376725255.db2.gz CDWWVLLGTYOBNS-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCO1 ZINC000544356538 376725260 /nfs/dbraw/zinc/72/52/60/376725260.db2.gz CDWWVLLGTYOBNS-RYQLBKOJSA-N 2 2 294.483 3.188 20 0 CGADLP c1cc2cccc(C[NH2+]CCc3cn4ccccc4[nH+]3)c2[nH]1 ZINC000236753206 376689776 /nfs/dbraw/zinc/68/97/76/376689776.db2.gz SLCFVVMCVVVKKN-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)Cc3ccsc3)[nH+]c12 ZINC000156287686 542127350 /nfs/dbraw/zinc/12/73/50/542127350.db2.gz WCBCXTBTYBGUDR-CQSZACIVSA-N 2 2 299.443 3.468 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](CC4CC4)C3)cc2)c[nH+]1 ZINC000339685388 376809972 /nfs/dbraw/zinc/80/99/72/376809972.db2.gz ZQDDJCIFBUACJI-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](CC4CC4)C3)cc2)c[nH+]1 ZINC000339685388 376809978 /nfs/dbraw/zinc/80/99/78/376809978.db2.gz ZQDDJCIFBUACJI-KRWDZBQOSA-N 2 2 281.403 3.494 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000157414672 542134225 /nfs/dbraw/zinc/13/42/25/542134225.db2.gz QLCYMYKRLSRPOD-ZDUSSCGKSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000157414672 542134230 /nfs/dbraw/zinc/13/42/30/542134230.db2.gz QLCYMYKRLSRPOD-ZDUSSCGKSA-N 2 2 289.810 3.072 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000157654735 542136380 /nfs/dbraw/zinc/13/63/80/542136380.db2.gz WCKOEWZVPCTLRE-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000157654735 542136386 /nfs/dbraw/zinc/13/63/86/542136386.db2.gz WCKOEWZVPCTLRE-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245553033 376851173 /nfs/dbraw/zinc/85/11/73/376851173.db2.gz QXOOTKWGLMXJPY-YCPHGPKFSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245553033 376851179 /nfs/dbraw/zinc/85/11/79/376851179.db2.gz QXOOTKWGLMXJPY-YCPHGPKFSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245553033 376851186 /nfs/dbraw/zinc/85/11/86/376851186.db2.gz QXOOTKWGLMXJPY-YCPHGPKFSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245553033 376851196 /nfs/dbraw/zinc/85/11/96/376851196.db2.gz QXOOTKWGLMXJPY-YCPHGPKFSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245724051 376891239 /nfs/dbraw/zinc/89/12/39/376891239.db2.gz IMBRTRBMSINUEG-CTASWTNQSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245724051 376891247 /nfs/dbraw/zinc/89/12/47/376891247.db2.gz IMBRTRBMSINUEG-CTASWTNQSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245724051 376891254 /nfs/dbraw/zinc/89/12/54/376891254.db2.gz IMBRTRBMSINUEG-CTASWTNQSA-N 2 2 276.424 3.318 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245724051 376891260 /nfs/dbraw/zinc/89/12/60/376891260.db2.gz IMBRTRBMSINUEG-CTASWTNQSA-N 2 2 276.424 3.318 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](c3cccnc3)C3CC3)n2c1 ZINC000340105192 376919457 /nfs/dbraw/zinc/91/94/57/376919457.db2.gz OUOQSQVHYBHTFF-SFHVURJKSA-N 2 2 292.386 3.279 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC000558126510 376976892 /nfs/dbraw/zinc/97/68/92/376976892.db2.gz GTHXSRVCCRXQDJ-UWVAXJGDSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCc2ccccc2C1 ZINC000558126510 376976898 /nfs/dbraw/zinc/97/68/98/376976898.db2.gz GTHXSRVCCRXQDJ-UWVAXJGDSA-N 2 2 298.474 3.350 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000557273292 376928853 /nfs/dbraw/zinc/92/88/53/376928853.db2.gz JJHYCUQTPJTLAH-PMPSAXMXSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C ZINC000557273292 376928861 /nfs/dbraw/zinc/92/88/61/376928861.db2.gz JJHYCUQTPJTLAH-PMPSAXMXSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H]1CC[N@H+](CC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246313144 377008544 /nfs/dbraw/zinc/00/85/44/377008544.db2.gz QWUWKJRTTJYLRI-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246313144 377008547 /nfs/dbraw/zinc/00/85/47/377008547.db2.gz QWUWKJRTTJYLRI-GOEBONIOSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000559741984 377097393 /nfs/dbraw/zinc/09/73/93/377097393.db2.gz QELLYFJSNYNJMT-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000559741984 377097400 /nfs/dbraw/zinc/09/74/00/377097400.db2.gz QELLYFJSNYNJMT-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000560257577 377135249 /nfs/dbraw/zinc/13/52/49/377135249.db2.gz AYGPLZNTXAEJJD-DOTOQJQBSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225628 377179993 /nfs/dbraw/zinc/17/99/93/377179993.db2.gz WQTZUNJDAWPVGE-STQMWFEESA-N 2 2 281.469 3.086 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000247225628 377179996 /nfs/dbraw/zinc/17/99/96/377179996.db2.gz WQTZUNJDAWPVGE-STQMWFEESA-N 2 2 281.469 3.086 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000562055872 377270836 /nfs/dbraw/zinc/27/08/36/377270836.db2.gz AHLKSAXPQSMAKY-YJBOKZPZSA-N 2 2 287.451 3.347 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C(C)C)C1CC1 ZINC000562962596 377382149 /nfs/dbraw/zinc/38/21/49/377382149.db2.gz AODZJXUZSFWIHG-SJORKVTESA-N 2 2 260.425 3.273 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563447589 377467448 /nfs/dbraw/zinc/46/74/48/377467448.db2.gz DZYWDSPSARSFGF-QWRGUYRKSA-N 2 2 267.442 3.016 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCC(F)(F)F ZINC000563443401 377468172 /nfs/dbraw/zinc/46/81/72/377468172.db2.gz GCZIFXBCJQXJIF-QWHCGFSZSA-N 2 2 280.378 3.427 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399683 377499272 /nfs/dbraw/zinc/49/92/72/377499272.db2.gz SKHVSVGCIARSSV-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399683 377499279 /nfs/dbraw/zinc/49/92/79/377499279.db2.gz SKHVSVGCIARSSV-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399683 377499285 /nfs/dbraw/zinc/49/92/85/377499285.db2.gz SKHVSVGCIARSSV-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399683 377499289 /nfs/dbraw/zinc/49/92/89/377499289.db2.gz SKHVSVGCIARSSV-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]CCc3cn(C)c[nH+]3)oc21 ZINC000313269868 249089809 /nfs/dbraw/zinc/08/98/09/249089809.db2.gz MBZOYLPJZSPZSY-LBPRGKRZSA-N 2 2 299.374 3.068 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313257218 249089982 /nfs/dbraw/zinc/08/99/82/249089982.db2.gz VEZMQKQHMVRKHG-ZDUSSCGKSA-N 2 2 283.375 3.368 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000313256746 249090337 /nfs/dbraw/zinc/09/03/37/249090337.db2.gz ZQNHCHYBWRHMGF-OAHLLOKOSA-N 2 2 271.408 3.239 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000250109586 377552076 /nfs/dbraw/zinc/55/20/76/377552076.db2.gz JVOLRKQSWVQAFH-QFBILLFUSA-N 2 2 295.430 3.102 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000250109586 377552081 /nfs/dbraw/zinc/55/20/81/377552081.db2.gz JVOLRKQSWVQAFH-QFBILLFUSA-N 2 2 295.430 3.102 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313303375 249090894 /nfs/dbraw/zinc/09/08/94/249090894.db2.gz QLNNBYZCPQRIGX-GFCCVEGCSA-N 2 2 275.421 3.035 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908406 249126958 /nfs/dbraw/zinc/12/69/58/249126958.db2.gz YLELHQKIOVGURA-FZMZJTMJSA-N 2 2 276.355 3.110 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038816 249131457 /nfs/dbraw/zinc/13/14/57/249131457.db2.gz ZJQPBGXJXSQBQM-HFBAOOFYSA-N 2 2 280.362 3.100 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038816 249131459 /nfs/dbraw/zinc/13/14/59/249131459.db2.gz ZJQPBGXJXSQBQM-HFBAOOFYSA-N 2 2 280.362 3.100 20 0 CGADLP CC1=CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000514744718 249187616 /nfs/dbraw/zinc/18/76/16/249187616.db2.gz PEBOCKQBTXREFB-OAHLLOKOSA-N 2 2 268.364 3.237 20 0 CGADLP COCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C)o1 ZINC000341478982 377583685 /nfs/dbraw/zinc/58/36/85/377583685.db2.gz HQNZMUSZPFBELF-INIZCTEOSA-N 2 2 294.439 3.128 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC1([NH+](C)C)CCC1 ZINC000518523328 249282839 /nfs/dbraw/zinc/28/28/39/249282839.db2.gz MYDZBVFIHIAPQC-UHFFFAOYSA-N 2 2 269.392 3.439 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC[N@@H+]1C ZINC000342760691 377777780 /nfs/dbraw/zinc/77/77/80/377777780.db2.gz QJGPGBUNTXGCPI-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC[N@H+]1C ZINC000342760691 377777789 /nfs/dbraw/zinc/77/77/89/377777789.db2.gz QJGPGBUNTXGCPI-XFBWCDHKSA-N 2 2 278.827 3.400 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCSc2ccc(Cl)cc2)n1C ZINC000575138687 377752951 /nfs/dbraw/zinc/75/29/51/377752951.db2.gz JKGRWYTYJHIEKQ-UHFFFAOYSA-N 2 2 295.839 3.264 20 0 CGADLP CC[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000575162721 377755987 /nfs/dbraw/zinc/75/59/87/377755987.db2.gz HRLYYZICVWXQGU-LBPRGKRZSA-N 2 2 288.357 3.350 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000575162721 377755990 /nfs/dbraw/zinc/75/59/90/377755990.db2.gz HRLYYZICVWXQGU-LBPRGKRZSA-N 2 2 288.357 3.350 20 0 CGADLP CCC1CC([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000342725676 377758686 /nfs/dbraw/zinc/75/86/86/377758686.db2.gz GURFGULDTUNXPV-HPUBIQBYSA-N 2 2 260.425 3.285 20 0 CGADLP CCC1CC([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000342725676 377758691 /nfs/dbraw/zinc/75/86/91/377758691.db2.gz GURFGULDTUNXPV-HPUBIQBYSA-N 2 2 260.425 3.285 20 0 CGADLP Fc1cccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000342749142 377772741 /nfs/dbraw/zinc/77/27/41/377772741.db2.gz JLEUFMFRFGQXRY-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1cccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000342749142 377772748 /nfs/dbraw/zinc/77/27/48/377772748.db2.gz JLEUFMFRFGQXRY-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP CC(C)Cc1ccc([C@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000259761301 377803857 /nfs/dbraw/zinc/80/38/57/377803857.db2.gz XGKBKEGJLIVSCN-KRWDZBQOSA-N 2 2 262.441 3.486 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261559190 377815163 /nfs/dbraw/zinc/81/51/63/377815163.db2.gz DOZZYJMIJVDBNM-QWRGUYRKSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261559190 377815168 /nfs/dbraw/zinc/81/51/68/377815168.db2.gz DOZZYJMIJVDBNM-QWRGUYRKSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000261567556 377818931 /nfs/dbraw/zinc/81/89/31/377818931.db2.gz IRHJDXPBSKTPKY-LJWDBELGSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000261567556 377818932 /nfs/dbraw/zinc/81/89/32/377818932.db2.gz IRHJDXPBSKTPKY-LJWDBELGSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261574636 377820358 /nfs/dbraw/zinc/82/03/58/377820358.db2.gz MSYTTXRNIXHGKG-LJWDBELGSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@H]12 ZINC000261574636 377820365 /nfs/dbraw/zinc/82/03/65/377820365.db2.gz MSYTTXRNIXHGKG-LJWDBELGSA-N 2 2 285.218 3.163 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860379 377840928 /nfs/dbraw/zinc/84/09/28/377840928.db2.gz IWCXOZBBCLXVFJ-MLGOLLRUSA-N 2 2 296.455 3.119 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2CSC)C1 ZINC000342860379 377840933 /nfs/dbraw/zinc/84/09/33/377840933.db2.gz IWCXOZBBCLXVFJ-MLGOLLRUSA-N 2 2 296.455 3.119 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261692265 377838727 /nfs/dbraw/zinc/83/87/27/377838727.db2.gz HNXJWFHVUDCDTD-RHSMWYFYSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261692265 377838732 /nfs/dbraw/zinc/83/87/32/377838732.db2.gz HNXJWFHVUDCDTD-RHSMWYFYSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC000342782319 377789419 /nfs/dbraw/zinc/78/94/19/377789419.db2.gz HLUJAFRGEWNCDV-NWDGAFQWSA-N 2 2 267.804 3.328 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000575310652 377877264 /nfs/dbraw/zinc/87/72/64/377877264.db2.gz FLFNJKAYUCQZTR-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000575310652 377877271 /nfs/dbraw/zinc/87/72/71/377877271.db2.gz FLFNJKAYUCQZTR-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@H]1[NH3+] ZINC000262006885 377878274 /nfs/dbraw/zinc/87/82/74/377878274.db2.gz LYQJBHMKSMTGEO-DNVCBOLYSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@H]1[NH3+] ZINC000262006885 377878282 /nfs/dbraw/zinc/87/82/82/377878282.db2.gz LYQJBHMKSMTGEO-DNVCBOLYSA-N 2 2 296.414 3.045 20 0 CGADLP [NH3+][C@@H]1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000262388413 377896878 /nfs/dbraw/zinc/89/68/78/377896878.db2.gz ZLXVUJCQXFJIQW-IAGOWNOFSA-N 2 2 294.402 3.239 20 0 CGADLP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000343528814 378008207 /nfs/dbraw/zinc/00/82/07/378008207.db2.gz BUQQTQPHDAAKKG-DOTOQJQBSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000343548476 378016027 /nfs/dbraw/zinc/01/60/27/378016027.db2.gz KDTJVDJCNSNSFH-HZPDHXFCSA-N 2 2 287.451 3.072 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000343468522 377988563 /nfs/dbraw/zinc/98/85/63/377988563.db2.gz UTWAWZHBXNKNRM-YHRBYZFPSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000343468522 377988567 /nfs/dbraw/zinc/98/85/67/377988567.db2.gz UTWAWZHBXNKNRM-YHRBYZFPSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000343487630 377993314 /nfs/dbraw/zinc/99/33/14/377993314.db2.gz MEICWVKLQZTCCJ-IXDOHACOSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000343487630 377993315 /nfs/dbraw/zinc/99/33/15/377993315.db2.gz MEICWVKLQZTCCJ-IXDOHACOSA-N 2 2 299.462 3.243 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343583295 378028073 /nfs/dbraw/zinc/02/80/73/378028073.db2.gz YIBMVWYVACXMEI-OKILXGFUSA-N 2 2 264.413 3.046 20 0 CGADLP Cc1ccoc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343583295 378028076 /nfs/dbraw/zinc/02/80/76/378028076.db2.gz YIBMVWYVACXMEI-OKILXGFUSA-N 2 2 264.413 3.046 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000577989738 378029100 /nfs/dbraw/zinc/02/91/00/378029100.db2.gz QLWNDVFLQSFYMF-STQMWFEESA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC[C@H](C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000577989738 378029103 /nfs/dbraw/zinc/02/91/03/378029103.db2.gz QLWNDVFLQSFYMF-STQMWFEESA-N 2 2 261.413 3.073 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000578056039 378033707 /nfs/dbraw/zinc/03/37/07/378033707.db2.gz NSIYAMQPTDZSJH-MDASCCDHSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000578056039 378033711 /nfs/dbraw/zinc/03/37/11/378033711.db2.gz NSIYAMQPTDZSJH-MDASCCDHSA-N 2 2 284.447 3.253 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000343612875 378040189 /nfs/dbraw/zinc/04/01/89/378040189.db2.gz IFNYHCJKPDJIMK-UHFFFAOYSA-N 2 2 289.398 3.225 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000343612875 378040193 /nfs/dbraw/zinc/04/01/93/378040193.db2.gz IFNYHCJKPDJIMK-UHFFFAOYSA-N 2 2 289.398 3.225 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@@H+]1C ZINC000265985991 190220942 /nfs/dbraw/zinc/22/09/42/190220942.db2.gz HMGNEMFJHHUKRD-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)CC[N@H+]1C ZINC000265985991 190220943 /nfs/dbraw/zinc/22/09/43/190220943.db2.gz HMGNEMFJHHUKRD-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985991 190220944 /nfs/dbraw/zinc/22/09/44/190220944.db2.gz HMGNEMFJHHUKRD-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC[NH+]1C ZINC000265985991 190220945 /nfs/dbraw/zinc/22/09/45/190220945.db2.gz HMGNEMFJHHUKRD-ZBFHGGJFSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873947 378138202 /nfs/dbraw/zinc/13/82/02/378138202.db2.gz DJAQUYURDBDTKT-HFAKWTLXSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000268873947 378138208 /nfs/dbraw/zinc/13/82/08/378138208.db2.gz DJAQUYURDBDTKT-HFAKWTLXSA-N 2 2 284.806 3.297 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccnc1Cl ZINC000268746527 378101690 /nfs/dbraw/zinc/10/16/90/378101690.db2.gz HWODKEFURUSOHE-LLVKDONJSA-N 2 2 279.815 3.012 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000579974396 378214573 /nfs/dbraw/zinc/21/45/73/378214573.db2.gz DPCRIWFGNPFMHS-ZDUSSCGKSA-N 2 2 283.366 3.035 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000579974396 378214576 /nfs/dbraw/zinc/21/45/76/378214576.db2.gz DPCRIWFGNPFMHS-ZDUSSCGKSA-N 2 2 283.366 3.035 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000582178188 378289830 /nfs/dbraw/zinc/28/98/30/378289830.db2.gz OCIGASODEDNRIE-INIZCTEOSA-N 2 2 295.430 3.465 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000345334095 378258802 /nfs/dbraw/zinc/25/88/02/378258802.db2.gz WNZYBKYRPLXXPD-NWDGAFQWSA-N 2 2 269.458 3.257 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345689527 378344935 /nfs/dbraw/zinc/34/49/35/378344935.db2.gz AGDIALNAFLWYIA-GDBMZVCRSA-N 2 2 291.439 3.184 20 0 CGADLP Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000584053487 378370445 /nfs/dbraw/zinc/37/04/45/378370445.db2.gz NHOCCAKGAPHNKV-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000584053487 378370449 /nfs/dbraw/zinc/37/04/49/378370449.db2.gz NHOCCAKGAPHNKV-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346083780 378459592 /nfs/dbraw/zinc/45/95/92/378459592.db2.gz SUMNYBAHHWDBHG-LBPRGKRZSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000346083780 378459596 /nfs/dbraw/zinc/45/95/96/378459596.db2.gz SUMNYBAHHWDBHG-LBPRGKRZSA-N 2 2 290.407 3.477 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597892 378638406 /nfs/dbraw/zinc/63/84/06/378638406.db2.gz XKQQIQJDYLZYEH-RHSMWYFYSA-N 2 2 270.420 3.138 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346597892 378638412 /nfs/dbraw/zinc/63/84/12/378638412.db2.gz XKQQIQJDYLZYEH-RHSMWYFYSA-N 2 2 270.420 3.138 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1(C)C ZINC000346696066 378678973 /nfs/dbraw/zinc/67/89/73/378678973.db2.gz KZKBOYBAKQJMJT-NXNVCVFFSA-N 2 2 294.483 3.041 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1(C)C ZINC000346696066 378678979 /nfs/dbraw/zinc/67/89/79/378678979.db2.gz KZKBOYBAKQJMJT-NXNVCVFFSA-N 2 2 294.483 3.041 20 0 CGADLP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(SC)CC2)C1 ZINC000347996896 378749275 /nfs/dbraw/zinc/74/92/75/378749275.db2.gz BVHBXVOBIPEPKZ-AWEZNQCLSA-N 2 2 284.513 3.372 20 0 CGADLP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(SC)CC2)C1 ZINC000347996896 378749280 /nfs/dbraw/zinc/74/92/80/378749280.db2.gz BVHBXVOBIPEPKZ-AWEZNQCLSA-N 2 2 284.513 3.372 20 0 CGADLP c1cn(CCC[NH2+]C2CCC(=C3CCC3)CC2)c[nH+]1 ZINC000638287468 378755251 /nfs/dbraw/zinc/75/52/51/378755251.db2.gz UVZGTSMRBOQFOF-UHFFFAOYSA-N 2 2 259.397 3.286 20 0 CGADLP C[C@@]1(C[NH2+]CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000638288071 378755321 /nfs/dbraw/zinc/75/53/21/378755321.db2.gz ZDOYUNDQWLMVCS-IRXDYDNUSA-N 2 2 269.392 3.057 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467982 378720185 /nfs/dbraw/zinc/72/01/85/378720185.db2.gz SBUFHMLAZRFTRH-XDNAFOTISA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467982 378720188 /nfs/dbraw/zinc/72/01/88/378720188.db2.gz SBUFHMLAZRFTRH-XDNAFOTISA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467982 378720191 /nfs/dbraw/zinc/72/01/91/378720191.db2.gz SBUFHMLAZRFTRH-XDNAFOTISA-N 2 2 294.483 3.283 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467982 378720195 /nfs/dbraw/zinc/72/01/95/378720195.db2.gz SBUFHMLAZRFTRH-XDNAFOTISA-N 2 2 294.483 3.283 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348121874 378800268 /nfs/dbraw/zinc/80/02/68/378800268.db2.gz RURGGDIXXCLEOQ-JKSUJKDBSA-N 2 2 296.499 3.290 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000638358289 378776286 /nfs/dbraw/zinc/77/62/86/378776286.db2.gz BFFHBRVUCUEHLL-OWCLPIDISA-N 2 2 261.413 3.386 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638359804 378777356 /nfs/dbraw/zinc/77/73/56/378777356.db2.gz RXVMVGIOHMLWLJ-USXIJHARSA-N 2 2 269.392 3.055 20 0 CGADLP CC(C)c1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000346744949 218003725 /nfs/dbraw/zinc/00/37/25/218003725.db2.gz WJKHPLIDIBNEGJ-HNNXBMFYSA-N 2 2 290.455 3.088 20 0 CGADLP CC(C)c1nc(NCCCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000346744949 218003727 /nfs/dbraw/zinc/00/37/27/218003727.db2.gz WJKHPLIDIBNEGJ-HNNXBMFYSA-N 2 2 290.455 3.088 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000348094475 378788420 /nfs/dbraw/zinc/78/84/20/378788420.db2.gz GJLNHRRYUSPQLH-ZDUSSCGKSA-N 2 2 281.469 3.151 20 0 CGADLP Cc1cnc(C(C)(C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000348094475 378788427 /nfs/dbraw/zinc/78/84/27/378788427.db2.gz GJLNHRRYUSPQLH-ZDUSSCGKSA-N 2 2 281.469 3.151 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000348094820 378788880 /nfs/dbraw/zinc/78/88/80/378788880.db2.gz ZOQZNKLIWZJRJZ-CQSZACIVSA-N 2 2 268.351 3.490 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCC[N@@H+]1C ZINC000346795238 218015856 /nfs/dbraw/zinc/01/58/56/218015856.db2.gz HWXIVEUTOBZZDE-OAUYIBNBSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCC[N@H+]1C ZINC000346795238 218015860 /nfs/dbraw/zinc/01/58/60/218015860.db2.gz HWXIVEUTOBZZDE-OAUYIBNBSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)CC1CCCCC1 ZINC000348176934 378824039 /nfs/dbraw/zinc/82/40/39/378824039.db2.gz WSPQMYZPUYZJRT-UHFFFAOYSA-N 2 2 290.451 3.197 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)CC1CCCCC1 ZINC000348176934 378824043 /nfs/dbraw/zinc/82/40/43/378824043.db2.gz WSPQMYZPUYZJRT-UHFFFAOYSA-N 2 2 290.451 3.197 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000274593687 378857476 /nfs/dbraw/zinc/85/74/76/378857476.db2.gz NXLLDIGVPQLAEW-LBPRGKRZSA-N 2 2 276.405 3.353 20 0 CGADLP CC1CC[NH+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348242851 378861267 /nfs/dbraw/zinc/86/12/67/378861267.db2.gz LDCNAMBIRQPVJT-ZWKOTPCHSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261483 378871841 /nfs/dbraw/zinc/87/18/41/378871841.db2.gz MVKWSEGCPNVPGG-CJNGLKHVSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261483 378871844 /nfs/dbraw/zinc/87/18/44/378871844.db2.gz MVKWSEGCPNVPGG-CJNGLKHVSA-N 2 2 293.480 3.217 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348257932 378869042 /nfs/dbraw/zinc/86/90/42/378869042.db2.gz UBIHWZVMAKMIGW-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348257932 378869047 /nfs/dbraw/zinc/86/90/47/378869047.db2.gz UBIHWZVMAKMIGW-WBVHZDCISA-N 2 2 299.418 3.283 20 0 CGADLP CCC[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638691151 378873149 /nfs/dbraw/zinc/87/31/49/378873149.db2.gz VVLNVFYBJGPQCY-WMLDXEAASA-N 2 2 287.407 3.338 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638788173 378912747 /nfs/dbraw/zinc/91/27/47/378912747.db2.gz BUGXZYSNTGVTLK-CQSZACIVSA-N 2 2 291.439 3.010 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000638788173 378912752 /nfs/dbraw/zinc/91/27/52/378912752.db2.gz BUGXZYSNTGVTLK-CQSZACIVSA-N 2 2 291.439 3.010 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000348332638 378913973 /nfs/dbraw/zinc/91/39/73/378913973.db2.gz MKHXAMGGYNRWGP-DJIMGWMZSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@@H+]1Cc1ccccc1 ZINC000348335558 378915722 /nfs/dbraw/zinc/91/57/22/378915722.db2.gz RFROHPVOFZRNHU-SIXLDLHFSA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@H+]1Cc1ccccc1 ZINC000348335558 378915727 /nfs/dbraw/zinc/91/57/27/378915727.db2.gz RFROHPVOFZRNHU-SIXLDLHFSA-N 2 2 276.399 3.130 20 0 CGADLP CCc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348527034 378977419 /nfs/dbraw/zinc/97/74/19/378977419.db2.gz YUVNJWFJFSDJSD-QGZVFWFLSA-N 2 2 283.419 3.394 20 0 CGADLP CCc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348527034 378977424 /nfs/dbraw/zinc/97/74/24/378977424.db2.gz YUVNJWFJFSDJSD-QGZVFWFLSA-N 2 2 283.419 3.394 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347016646 218092870 /nfs/dbraw/zinc/09/28/70/218092870.db2.gz JSTJWBZUQOMFHF-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347016646 218092871 /nfs/dbraw/zinc/09/28/71/218092871.db2.gz JSTJWBZUQOMFHF-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000347019912 218094146 /nfs/dbraw/zinc/09/41/46/218094146.db2.gz MAWMSWJNHRGLKD-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000347019912 218094147 /nfs/dbraw/zinc/09/41/47/218094147.db2.gz MAWMSWJNHRGLKD-KRWDZBQOSA-N 2 2 299.393 3.201 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000347110787 218124524 /nfs/dbraw/zinc/12/45/24/218124524.db2.gz NXPQIGDXJMXVOW-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000347110787 218124527 /nfs/dbraw/zinc/12/45/27/218124527.db2.gz NXPQIGDXJMXVOW-NSHDSACASA-N 2 2 278.396 3.333 20 0 CGADLP CC[C@](C)(C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)OC ZINC000639051955 378986550 /nfs/dbraw/zinc/98/65/50/378986550.db2.gz AUQAINRHKTXGMF-DJIMGWMZSA-N 2 2 278.440 3.083 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000347114140 218126537 /nfs/dbraw/zinc/12/65/37/218126537.db2.gz SHYXXLBKCVCOGB-LBPRGKRZSA-N 2 2 290.407 3.477 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000347114140 218126539 /nfs/dbraw/zinc/12/65/39/218126539.db2.gz SHYXXLBKCVCOGB-LBPRGKRZSA-N 2 2 290.407 3.477 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118281 218127467 /nfs/dbraw/zinc/12/74/67/218127467.db2.gz CMVWEQFDHCRJQN-RHSMWYFYSA-N 2 2 268.360 3.296 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118281 218127468 /nfs/dbraw/zinc/12/74/68/218127468.db2.gz CMVWEQFDHCRJQN-RHSMWYFYSA-N 2 2 268.360 3.296 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118770 218128066 /nfs/dbraw/zinc/12/80/66/218128066.db2.gz IIXYVAOLEJOLQD-SUMWQHHRSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118770 218128068 /nfs/dbraw/zinc/12/80/68/218128068.db2.gz IIXYVAOLEJOLQD-SUMWQHHRSA-N 2 2 286.350 3.435 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)oc1C ZINC000370306624 379005381 /nfs/dbraw/zinc/00/53/81/379005381.db2.gz WOTBHZHFVWONCR-QEJZJMRPSA-N 2 2 262.397 3.174 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000370306624 379005386 /nfs/dbraw/zinc/00/53/86/379005386.db2.gz WOTBHZHFVWONCR-QEJZJMRPSA-N 2 2 262.397 3.174 20 0 CGADLP Cc1ccc(C)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000370262622 378999528 /nfs/dbraw/zinc/99/95/28/378999528.db2.gz RRBHLQMPVUHSIF-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347167443 218143543 /nfs/dbraw/zinc/14/35/43/218143543.db2.gz UQLNYZXCQVBVGJ-RDTXWAMCSA-N 2 2 298.386 3.305 20 0 CGADLP COc1cccc([C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347167443 218143545 /nfs/dbraw/zinc/14/35/45/218143545.db2.gz UQLNYZXCQVBVGJ-RDTXWAMCSA-N 2 2 298.386 3.305 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000639090904 379013855 /nfs/dbraw/zinc/01/38/55/379013855.db2.gz JAXPEOSCKXXMIL-BQFCYCMXSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1CCCC[C@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836769 379076415 /nfs/dbraw/zinc/07/64/15/379076415.db2.gz XURJJJSUQGBACU-UKRRQHHQSA-N 2 2 270.380 3.317 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000278752121 194139409 /nfs/dbraw/zinc/13/94/09/194139409.db2.gz MUPABJLQSSWINH-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000278752121 194139411 /nfs/dbraw/zinc/13/94/11/194139411.db2.gz MUPABJLQSSWINH-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353699409 220263660 /nfs/dbraw/zinc/26/36/60/220263660.db2.gz ASDOCGRETXUAKN-BBRMVZONSA-N 2 2 284.403 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353699409 220263665 /nfs/dbraw/zinc/26/36/65/220263665.db2.gz ASDOCGRETXUAKN-BBRMVZONSA-N 2 2 284.403 3.179 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)CC1 ZINC000277270266 379115474 /nfs/dbraw/zinc/11/54/74/379115474.db2.gz ROAKFVURSJMACP-CYBMUJFWSA-N 2 2 298.833 3.438 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)CC1 ZINC000277270266 379115486 /nfs/dbraw/zinc/11/54/86/379115486.db2.gz ROAKFVURSJMACP-CYBMUJFWSA-N 2 2 298.833 3.438 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c[nH+]1 ZINC000349185865 379180432 /nfs/dbraw/zinc/18/04/32/379180432.db2.gz IZGNGMHVMZDEQO-CEXWTWQISA-N 2 2 278.399 3.251 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277689949 379217441 /nfs/dbraw/zinc/21/74/41/379217441.db2.gz LCFNJTOHPLIPKC-KRWDZBQOSA-N 2 2 283.419 3.394 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277689949 379217446 /nfs/dbraw/zinc/21/74/46/379217446.db2.gz LCFNJTOHPLIPKC-KRWDZBQOSA-N 2 2 283.419 3.394 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373104904 379223512 /nfs/dbraw/zinc/22/35/12/379223512.db2.gz SIQRDUHMHQKTQT-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373104904 379223522 /nfs/dbraw/zinc/22/35/22/379223522.db2.gz SIQRDUHMHQKTQT-INIZCTEOSA-N 2 2 299.418 3.198 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1sc(C)nc1C ZINC000349382633 379262230 /nfs/dbraw/zinc/26/22/30/379262230.db2.gz KFCGKYSDTDWPBL-UHFFFAOYSA-N 2 2 281.469 3.068 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1sc(C)nc1C ZINC000349382633 379262233 /nfs/dbraw/zinc/26/22/33/379262233.db2.gz KFCGKYSDTDWPBL-UHFFFAOYSA-N 2 2 281.469 3.068 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000344112196 284772988 /nfs/dbraw/zinc/77/29/88/284772988.db2.gz KSLDILSBDYTUFE-HOTGVXAUSA-N 2 2 296.499 3.292 20 0 CGADLP CCOc1ccccc1C[N@H+](CC)CCC[NH+]1CCCC1 ZINC000349405412 379265763 /nfs/dbraw/zinc/26/57/63/379265763.db2.gz ICOHSJJEWAMQKU-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP CCOc1ccccc1C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000349405412 379265771 /nfs/dbraw/zinc/26/57/71/379265771.db2.gz ICOHSJJEWAMQKU-UHFFFAOYSA-N 2 2 290.451 3.393 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000373519476 379293151 /nfs/dbraw/zinc/29/31/51/379293151.db2.gz FWAQXNUZXUHDTC-ODIFPOPNSA-N 2 2 290.455 3.132 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000374189752 379390997 /nfs/dbraw/zinc/39/09/97/379390997.db2.gz SNUMYBGRMFWRPL-DLBZAZTESA-N 2 2 289.467 3.348 20 0 CGADLP C[N@H+](Cc1ccc(C(F)F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639397700 379363881 /nfs/dbraw/zinc/36/38/81/379363881.db2.gz NRJPMPXYZDSMKO-HNNXBMFYSA-N 2 2 280.362 3.150 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639397700 379363890 /nfs/dbraw/zinc/36/38/90/379363890.db2.gz NRJPMPXYZDSMKO-HNNXBMFYSA-N 2 2 280.362 3.150 20 0 CGADLP Cc1cc[nH+]c(N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278580919 379402947 /nfs/dbraw/zinc/40/29/47/379402947.db2.gz YDTQGIQUJAISDZ-UHFFFAOYSA-N 2 2 283.375 3.141 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000349980106 379470478 /nfs/dbraw/zinc/47/04/78/379470478.db2.gz YIUJKRJPWBOSFJ-GDBMZVCRSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000349980106 379470487 /nfs/dbraw/zinc/47/04/87/379470487.db2.gz YIUJKRJPWBOSFJ-GDBMZVCRSA-N 2 2 291.439 3.042 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCOC[C@@H]2C2CCC2)c(C)[nH+]1 ZINC000639693497 379550346 /nfs/dbraw/zinc/55/03/46/379550346.db2.gz MIAGJGVPPNLAMM-QGZVFWFLSA-N 2 2 274.408 3.008 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCOC[C@@H]2C2CCC2)c(C)[nH+]1 ZINC000639693497 379550351 /nfs/dbraw/zinc/55/03/51/379550351.db2.gz MIAGJGVPPNLAMM-QGZVFWFLSA-N 2 2 274.408 3.008 20 0 CGADLP Clc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376729783 379594828 /nfs/dbraw/zinc/59/48/28/379594828.db2.gz SSXDAMCNNAWWJD-UHFFFAOYSA-N 2 2 275.783 3.163 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376759916 379601331 /nfs/dbraw/zinc/60/13/31/379601331.db2.gz XIKBPOUMHSPATQ-HOCLYGCPSA-N 2 2 273.424 3.301 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000639776466 379575141 /nfs/dbraw/zinc/57/51/41/379575141.db2.gz MSLZAOAJPOHKDT-INIZCTEOSA-N 2 2 270.380 3.067 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c(C)[nH+]1 ZINC000639776466 379575149 /nfs/dbraw/zinc/57/51/49/379575149.db2.gz MSLZAOAJPOHKDT-INIZCTEOSA-N 2 2 270.380 3.067 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000639986084 379677093 /nfs/dbraw/zinc/67/70/93/379677093.db2.gz IOFAWKMOGTWNNF-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640151941 379734801 /nfs/dbraw/zinc/73/48/01/379734801.db2.gz AKJXLHYBUSNRGO-HOTGVXAUSA-N 2 2 282.378 3.300 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640151941 379734810 /nfs/dbraw/zinc/73/48/10/379734810.db2.gz AKJXLHYBUSNRGO-HOTGVXAUSA-N 2 2 282.378 3.300 20 0 CGADLP c1cn(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)c[nH+]1 ZINC000378338772 379805824 /nfs/dbraw/zinc/80/58/24/379805824.db2.gz WKLCNENSIVHKAW-QGZVFWFLSA-N 2 2 284.407 3.189 20 0 CGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000378167952 379787821 /nfs/dbraw/zinc/78/78/21/379787821.db2.gz YOZPXRSIDWDPRF-WMLDXEAASA-N 2 2 276.424 3.412 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352541186 379849406 /nfs/dbraw/zinc/84/94/06/379849406.db2.gz UYMRTENTTQJVOI-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352541186 379849416 /nfs/dbraw/zinc/84/94/16/379849416.db2.gz UYMRTENTTQJVOI-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC ZINC000352685610 379909253 /nfs/dbraw/zinc/90/92/53/379909253.db2.gz VFXBIAWPARUOMF-XOKHGSTOSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC ZINC000352685610 379909259 /nfs/dbraw/zinc/90/92/59/379909259.db2.gz VFXBIAWPARUOMF-XOKHGSTOSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)n21 ZINC000352726011 379926475 /nfs/dbraw/zinc/92/64/75/379926475.db2.gz OOHYMUZIYAKDHU-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)n21 ZINC000352726011 379926481 /nfs/dbraw/zinc/92/64/81/379926481.db2.gz OOHYMUZIYAKDHU-GOEBONIOSA-N 2 2 269.392 3.407 20 0 CGADLP CCc1nc(C[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000347806529 218363708 /nfs/dbraw/zinc/36/37/08/218363708.db2.gz IFWPQEXDCUXOJT-UHFFFAOYSA-N 2 2 275.421 3.131 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547322 379900791 /nfs/dbraw/zinc/90/07/91/379900791.db2.gz MULGQCQJSAHBMY-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547322 379900795 /nfs/dbraw/zinc/90/07/95/379900795.db2.gz MULGQCQJSAHBMY-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864021 218382635 /nfs/dbraw/zinc/38/26/35/218382635.db2.gz XQPUSWPPURDYFM-STQMWFEESA-N 2 2 281.469 3.215 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347864021 218382638 /nfs/dbraw/zinc/38/26/38/218382638.db2.gz XQPUSWPPURDYFM-STQMWFEESA-N 2 2 281.469 3.215 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000352839092 379994875 /nfs/dbraw/zinc/99/48/75/379994875.db2.gz OAJMRTOACBJFDO-QYZOEREBSA-N 2 2 284.447 3.350 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000352839092 379994880 /nfs/dbraw/zinc/99/48/80/379994880.db2.gz OAJMRTOACBJFDO-QYZOEREBSA-N 2 2 284.447 3.350 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000352906165 380030872 /nfs/dbraw/zinc/03/08/72/380030872.db2.gz VXPKFNQNSKPQPL-BUXKBTBVSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2c1C ZINC000352906165 380030877 /nfs/dbraw/zinc/03/08/77/380030877.db2.gz VXPKFNQNSKPQPL-BUXKBTBVSA-N 2 2 297.446 3.357 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(SC)o2)CC1 ZINC000641715009 380057957 /nfs/dbraw/zinc/05/79/57/380057957.db2.gz SNVOHNBCOXPGPD-UHFFFAOYSA-N 2 2 282.453 3.356 20 0 CGADLP CN(CCCC[NH+]1CCCCC1)c1cc[nH+]c(C2CC2)n1 ZINC000641718418 380060957 /nfs/dbraw/zinc/06/09/57/380060957.db2.gz OGIGUARWZDTKIN-UHFFFAOYSA-N 2 2 288.439 3.056 20 0 CGADLP Cc1cccc(CCC[NH2+]Cc2c[nH+]c3c(C)cccn23)n1 ZINC000352917407 380037202 /nfs/dbraw/zinc/03/72/02/380037202.db2.gz XLEYSYVWMNKLLF-UHFFFAOYSA-N 2 2 294.402 3.069 20 0 CGADLP Cc1cccc(OCC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000347910506 218395762 /nfs/dbraw/zinc/39/57/62/218395762.db2.gz UEOFPIPYCQBTTG-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000641792177 380103864 /nfs/dbraw/zinc/10/38/64/380103864.db2.gz PTSXHITYNMTWCE-CHWSQXEVSA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nsc2c1 ZINC000641792177 380103868 /nfs/dbraw/zinc/10/38/68/380103868.db2.gz PTSXHITYNMTWCE-CHWSQXEVSA-N 2 2 287.432 3.013 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000641792366 380106034 /nfs/dbraw/zinc/10/60/34/380106034.db2.gz SFHBJSPNKZDIEV-GXTWGEPZSA-N 2 2 289.448 3.116 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nsc3ccccc32)[C@@H](C)C1 ZINC000641792366 380106040 /nfs/dbraw/zinc/10/60/40/380106040.db2.gz SFHBJSPNKZDIEV-GXTWGEPZSA-N 2 2 289.448 3.116 20 0 CGADLP c1ccc2c(C[N@H+](C3CC3)C3CC[NH2+]CC3)nsc2c1 ZINC000641797041 380109524 /nfs/dbraw/zinc/10/95/24/380109524.db2.gz QMYDUXDDHIGSCF-UHFFFAOYSA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2c(C[N@@H+](C3CC3)C3CC[NH2+]CC3)nsc2c1 ZINC000641797041 380109528 /nfs/dbraw/zinc/10/95/28/380109528.db2.gz QMYDUXDDHIGSCF-UHFFFAOYSA-N 2 2 287.432 3.013 20 0 CGADLP C[N@H+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799549 380112006 /nfs/dbraw/zinc/11/20/06/380112006.db2.gz XGHVBJSVFXWYBC-FUNVUKJBSA-N 2 2 287.432 3.011 20 0 CGADLP C[N@@H+](Cc1nsc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641799549 380112013 /nfs/dbraw/zinc/11/20/13/380112013.db2.gz XGHVBJSVFXWYBC-FUNVUKJBSA-N 2 2 287.432 3.011 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000268308975 190394501 /nfs/dbraw/zinc/39/45/01/190394501.db2.gz JDDCEQFFBJLBHM-ZDUSSCGKSA-N 2 2 261.394 3.166 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000353946327 380249653 /nfs/dbraw/zinc/24/96/53/380249653.db2.gz UNAIEVFCVNBPPY-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000353946327 380249656 /nfs/dbraw/zinc/24/96/56/380249656.db2.gz UNAIEVFCVNBPPY-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCC[C@H]2C2CC2)[nH+]1 ZINC000414486980 380263284 /nfs/dbraw/zinc/26/32/84/380263284.db2.gz RPSVIHRESCTBRN-ZBFHGGJFSA-N 2 2 269.392 3.250 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000353989132 380267441 /nfs/dbraw/zinc/26/74/41/380267441.db2.gz ZPLYFEIXVPACKT-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000353989132 380267447 /nfs/dbraw/zinc/26/74/47/380267447.db2.gz ZPLYFEIXVPACKT-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)ccc1F ZINC000643501506 380322399 /nfs/dbraw/zinc/32/23/99/380322399.db2.gz JFSYYXPWJIFEJV-NVXWUHKLSA-N 2 2 276.399 3.317 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000643501141 380322688 /nfs/dbraw/zinc/32/26/88/380322688.db2.gz XGBALJHYIXHYMI-OLZOCXBDSA-N 2 2 298.377 3.389 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501293 380322850 /nfs/dbraw/zinc/32/28/50/380322850.db2.gz BRBPJZNXHCGHIB-WBVHZDCISA-N 2 2 288.435 3.249 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643502204 380324130 /nfs/dbraw/zinc/32/41/30/380324130.db2.gz ZQTOZENABALDTJ-ZFWWWQNUSA-N 2 2 264.800 3.059 20 0 CGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCCC[NH2+]3)oc21 ZINC000643501644 380324967 /nfs/dbraw/zinc/32/49/67/380324967.db2.gz NBQUWJUPUJIYSJ-OCCSQVGLSA-N 2 2 288.391 3.234 20 0 CGADLP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507666 380330461 /nfs/dbraw/zinc/33/04/61/380330461.db2.gz MDOQWURJLYKJBQ-HOCLYGCPSA-N 2 2 278.827 3.318 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643507579 380330949 /nfs/dbraw/zinc/33/09/49/380330949.db2.gz JDOSBKYFSMEOOU-OAHLLOKOSA-N 2 2 276.449 3.182 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)OCC1CC1 ZINC000414502588 380279707 /nfs/dbraw/zinc/27/97/07/380279707.db2.gz KAWIWOVLSXPGEJ-UHFFFAOYSA-N 2 2 276.424 3.117 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000643344755 380285022 /nfs/dbraw/zinc/28/50/22/380285022.db2.gz LBUPISAJINOOFV-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000643344755 380285026 /nfs/dbraw/zinc/28/50/26/380285026.db2.gz LBUPISAJINOOFV-BXUZGUMPSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)CC(F)(F)F ZINC000414518085 380292438 /nfs/dbraw/zinc/29/24/38/380292438.db2.gz RRDGDAFWCRKNLM-JTQLQIEISA-N 2 2 271.286 3.012 20 0 CGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354164984 380351295 /nfs/dbraw/zinc/35/12/95/380351295.db2.gz QEMCWFARVDGLMB-UHFFFAOYSA-N 2 2 270.376 3.121 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414813767 380425601 /nfs/dbraw/zinc/42/56/01/380425601.db2.gz MUMQRFGZBLCPQX-ZDUSSCGKSA-N 2 2 264.344 3.179 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414818366 380430486 /nfs/dbraw/zinc/43/04/86/380430486.db2.gz DVDZWZUDNXBOJJ-UHFFFAOYSA-N 2 2 280.824 3.378 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1F ZINC000414818153 380430570 /nfs/dbraw/zinc/43/05/70/380430570.db2.gz UWNNTTQJFUIEOK-LLVKDONJSA-N 2 2 258.768 3.086 20 0 CGADLP Cc1cc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1C ZINC000414825537 380433980 /nfs/dbraw/zinc/43/39/80/380433980.db2.gz CNRNGZLPGPEPNW-GOSISDBHSA-N 2 2 268.404 3.401 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000644545729 380443405 /nfs/dbraw/zinc/44/34/05/380443405.db2.gz UAWRIPSIYFTASP-HNNXBMFYSA-N 2 2 290.451 3.011 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000414838216 380445552 /nfs/dbraw/zinc/44/55/52/380445552.db2.gz VEQMAAHWZLMCAI-HNNXBMFYSA-N 2 2 294.320 3.495 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414840985 380447951 /nfs/dbraw/zinc/44/79/51/380447951.db2.gz XMSNNCNJUIINTA-DGCLKSJQSA-N 2 2 274.330 3.397 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414789458 380405221 /nfs/dbraw/zinc/40/52/21/380405221.db2.gz OMUDOVIYIFGJAO-UHFFFAOYSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414789458 380405225 /nfs/dbraw/zinc/40/52/25/380405225.db2.gz OMUDOVIYIFGJAO-UHFFFAOYSA-N 2 2 276.424 3.179 20 0 CGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000354351689 380409605 /nfs/dbraw/zinc/40/96/05/380409605.db2.gz MWJVTGQIJSNLTJ-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414798924 380412156 /nfs/dbraw/zinc/41/21/56/380412156.db2.gz ZSDXHDUCMVOWTQ-UHFFFAOYSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414798924 380412165 /nfs/dbraw/zinc/41/21/65/380412165.db2.gz ZSDXHDUCMVOWTQ-UHFFFAOYSA-N 2 2 276.424 3.035 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)s1 ZINC000354585375 380495165 /nfs/dbraw/zinc/49/51/65/380495165.db2.gz XYBNRPPEPVQSSQ-UONOGXRCSA-N 2 2 293.480 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)s1 ZINC000354585375 380495175 /nfs/dbraw/zinc/49/51/75/380495175.db2.gz XYBNRPPEPVQSSQ-UONOGXRCSA-N 2 2 293.480 3.215 20 0 CGADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414937557 380498025 /nfs/dbraw/zinc/49/80/25/380498025.db2.gz HUCLXXVHMNCLMR-GZMMTYOYSA-N 2 2 291.197 3.220 20 0 CGADLP COC1CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414947555 380502907 /nfs/dbraw/zinc/50/29/07/380502907.db2.gz WQZBXKCYPMFRLK-ACBHZAAOSA-N 2 2 298.430 3.387 20 0 CGADLP CC1([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]CC1 ZINC000414948473 380503033 /nfs/dbraw/zinc/50/30/33/380503033.db2.gz YMCAWJKOMDOSFM-UHFFFAOYSA-N 2 2 291.197 3.364 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415079363 380506489 /nfs/dbraw/zinc/50/64/89/380506489.db2.gz JZEZFIXYDINKEZ-AGIUHOORSA-N 2 2 280.387 3.016 20 0 CGADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354629250 380506561 /nfs/dbraw/zinc/50/65/61/380506561.db2.gz BOPBIKIHBIETEQ-JTQLQIEISA-N 2 2 271.286 3.155 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[NH+]2CCCCCC2)c[nH+]1 ZINC000354647382 380513336 /nfs/dbraw/zinc/51/33/36/380513336.db2.gz LAGSWUAVKMNWQW-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414891457 380476633 /nfs/dbraw/zinc/47/66/33/380476633.db2.gz OAXAFTFGBGDUJF-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCc1cc[nH+]cc1C ZINC000354539600 380477835 /nfs/dbraw/zinc/47/78/35/380477835.db2.gz JCLHFBHRJUZSBC-UHFFFAOYSA-N 2 2 272.367 3.424 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417306817 380589122 /nfs/dbraw/zinc/58/91/22/380589122.db2.gz ARVIODQWKBMCAS-HZSPNIEDSA-N 2 2 266.454 3.170 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417306817 380589129 /nfs/dbraw/zinc/58/91/29/380589129.db2.gz ARVIODQWKBMCAS-HZSPNIEDSA-N 2 2 266.454 3.170 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000417353044 380603490 /nfs/dbraw/zinc/60/34/90/380603490.db2.gz HVEQAZZJXYJELD-JKSUJKDBSA-N 2 2 258.409 3.007 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000417351129 380603509 /nfs/dbraw/zinc/60/35/09/380603509.db2.gz BWLOIUHLBHSONE-IRXDYDNUSA-N 2 2 272.436 3.181 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC2([NH+](C)C)CC2)C(C)C)cc1 ZINC000417356693 380605517 /nfs/dbraw/zinc/60/55/17/380605517.db2.gz PVFMZMGFXDWLND-INIZCTEOSA-N 2 2 276.424 3.076 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417358815 380607713 /nfs/dbraw/zinc/60/77/13/380607713.db2.gz UOERUKWFEARAMV-ZDUSSCGKSA-N 2 2 278.465 3.023 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417360937 380609958 /nfs/dbraw/zinc/60/99/58/380609958.db2.gz XUAHJLBIMGIHMB-MRXNPFEDSA-N 2 2 288.435 3.101 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417369759 380611303 /nfs/dbraw/zinc/61/13/03/380611303.db2.gz SNMPYOXFNCAAMI-DLBZAZTESA-N 2 2 270.420 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3CC34CC4)C2)cc1 ZINC000417369759 380611309 /nfs/dbraw/zinc/61/13/09/380611309.db2.gz SNMPYOXFNCAAMI-DLBZAZTESA-N 2 2 270.420 3.041 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000417677842 380665204 /nfs/dbraw/zinc/66/52/04/380665204.db2.gz AWNQYHQQKCOCCR-ZDUSSCGKSA-N 2 2 261.394 3.302 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000417677842 380665206 /nfs/dbraw/zinc/66/52/06/380665206.db2.gz AWNQYHQQKCOCCR-ZDUSSCGKSA-N 2 2 261.394 3.302 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000645406938 380674227 /nfs/dbraw/zinc/67/42/27/380674227.db2.gz HBXPTPHJIYUBSA-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000645406938 380674229 /nfs/dbraw/zinc/67/42/29/380674229.db2.gz HBXPTPHJIYUBSA-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C(C)(C)OC ZINC000645434376 380680115 /nfs/dbraw/zinc/68/01/15/380680115.db2.gz UQWPKEZMLCPYDI-CYBMUJFWSA-N 2 2 289.423 3.002 20 0 CGADLP CCn1c[nH+]cc1C[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000417885280 380685760 /nfs/dbraw/zinc/68/57/60/380685760.db2.gz YEGZEDSWOTTYLB-UHFFFAOYSA-N 2 2 287.338 3.387 20 0 CGADLP C[N@H+](CCC[C@H]1CCOC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000645861928 380754899 /nfs/dbraw/zinc/75/48/99/380754899.db2.gz GLYVVJXMUUVZOH-KRWDZBQOSA-N 2 2 296.499 3.390 20 0 CGADLP C[N@@H+](CCC[C@H]1CCOC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000645861928 380754901 /nfs/dbraw/zinc/75/49/01/380754901.db2.gz GLYVVJXMUUVZOH-KRWDZBQOSA-N 2 2 296.499 3.390 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186663 194323549 /nfs/dbraw/zinc/32/35/49/194323549.db2.gz CGGDDLNPVACNMR-ZDUSSCGKSA-N 2 2 268.351 3.008 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186663 194323551 /nfs/dbraw/zinc/32/35/51/194323551.db2.gz CGGDDLNPVACNMR-ZDUSSCGKSA-N 2 2 268.351 3.008 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+]C2CC3(C2)CCCCC3)CCSC1 ZINC000421338192 380879065 /nfs/dbraw/zinc/87/90/65/380879065.db2.gz BUYOZVUCHRCESG-INIZCTEOSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@@H+]1C ZINC000421340230 380882375 /nfs/dbraw/zinc/88/23/75/380882375.db2.gz HVDLQTFAYMPEFX-GUYCJALGSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@H+]1C ZINC000421340230 380882383 /nfs/dbraw/zinc/88/23/83/380882383.db2.gz HVDLQTFAYMPEFX-GUYCJALGSA-N 2 2 258.409 3.136 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000421372027 380910649 /nfs/dbraw/zinc/91/06/49/380910649.db2.gz LQHYEIUWLHBKPI-HNNXBMFYSA-N 2 2 282.378 3.457 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000356886219 380920473 /nfs/dbraw/zinc/92/04/73/380920473.db2.gz XZDOTDBKWTZYJD-AWEZNQCLSA-N 2 2 269.392 3.241 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccn2CCC(C)C)CC1 ZINC000125294881 535460170 /nfs/dbraw/zinc/46/01/70/535460170.db2.gz ZPJULLQBVGZQPB-UHFFFAOYSA-N 2 2 291.483 3.450 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccn2CCC(C)C)CC1 ZINC000125294881 535460161 /nfs/dbraw/zinc/46/01/61/535460161.db2.gz ZPJULLQBVGZQPB-UHFFFAOYSA-N 2 2 291.483 3.450 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000359521685 381351646 /nfs/dbraw/zinc/35/16/46/381351646.db2.gz DPVLSVMKSCYPOT-SJLPKXTDSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000359521685 381351654 /nfs/dbraw/zinc/35/16/54/381351654.db2.gz DPVLSVMKSCYPOT-SJLPKXTDSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361344975 381708981 /nfs/dbraw/zinc/70/89/81/381708981.db2.gz HHSNVEVFFCZKHS-OUCADQQQSA-N 2 2 295.496 3.393 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361344975 381708985 /nfs/dbraw/zinc/70/89/85/381708985.db2.gz HHSNVEVFFCZKHS-OUCADQQQSA-N 2 2 295.496 3.393 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361496933 381774907 /nfs/dbraw/zinc/77/49/07/381774907.db2.gz NYEWPXPZHNALSN-NVXWUHKLSA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361496933 381774912 /nfs/dbraw/zinc/77/49/12/381774912.db2.gz NYEWPXPZHNALSN-NVXWUHKLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@@H+]1C1CC1 ZINC000362913675 382145045 /nfs/dbraw/zinc/14/50/45/382145045.db2.gz OCBAKMGPSFKEAS-XHDPSFHLSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C[N@H+]1C1CC1 ZINC000362913675 382145051 /nfs/dbraw/zinc/14/50/51/382145051.db2.gz OCBAKMGPSFKEAS-XHDPSFHLSA-N 2 2 287.382 3.022 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c[nH+]1 ZINC000363459669 382223573 /nfs/dbraw/zinc/22/35/73/382223573.db2.gz PVFJIEFXYMJNPJ-HNNXBMFYSA-N 2 2 296.374 3.252 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c[nH+]1 ZINC000363459669 382223576 /nfs/dbraw/zinc/22/35/76/382223576.db2.gz PVFJIEFXYMJNPJ-HNNXBMFYSA-N 2 2 296.374 3.252 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000368524323 382376996 /nfs/dbraw/zinc/37/69/96/382376996.db2.gz AUPAJDSENNUPSU-BRWVUGGUSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000368524323 382377004 /nfs/dbraw/zinc/37/70/04/382377004.db2.gz AUPAJDSENNUPSU-BRWVUGGUSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000251618738 542347518 /nfs/dbraw/zinc/34/75/18/542347518.db2.gz DXTCQZHEJXMASH-HFAKWTLXSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000251618738 542347522 /nfs/dbraw/zinc/34/75/22/542347522.db2.gz DXTCQZHEJXMASH-HFAKWTLXSA-N 2 2 268.351 3.085 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261652973 542355685 /nfs/dbraw/zinc/35/56/85/542355685.db2.gz SYKIOZSAITYPKZ-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261652973 542355688 /nfs/dbraw/zinc/35/56/88/542355688.db2.gz SYKIOZSAITYPKZ-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]1 ZINC000335258475 208043088 /nfs/dbraw/zinc/04/30/88/208043088.db2.gz JGXQRFVPDVFAPQ-GHMZBOCLSA-N 2 2 278.783 3.316 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@@H](F)C3)n2c1 ZINC000335372767 208304018 /nfs/dbraw/zinc/30/40/18/208304018.db2.gz PGARKCLEBFNKDN-CHWSQXEVSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749521 220301378 /nfs/dbraw/zinc/30/13/78/220301378.db2.gz LNOPLHWXAYLUTN-LRDDRELGSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749521 220301383 /nfs/dbraw/zinc/30/13/83/220301383.db2.gz LNOPLHWXAYLUTN-LRDDRELGSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749521 220301387 /nfs/dbraw/zinc/30/13/87/220301387.db2.gz LNOPLHWXAYLUTN-LRDDRELGSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000353749521 220301391 /nfs/dbraw/zinc/30/13/91/220301391.db2.gz LNOPLHWXAYLUTN-LRDDRELGSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752693 220305295 /nfs/dbraw/zinc/30/52/95/220305295.db2.gz TXXBAYFINFGBEB-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752693 220305299 /nfs/dbraw/zinc/30/52/99/220305299.db2.gz TXXBAYFINFGBEB-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752693 220305301 /nfs/dbraw/zinc/30/53/01/220305301.db2.gz TXXBAYFINFGBEB-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752693 220305305 /nfs/dbraw/zinc/30/53/05/220305305.db2.gz TXXBAYFINFGBEB-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1 ZINC000350518086 219032926 /nfs/dbraw/zinc/03/29/26/219032926.db2.gz SRVUDLSENYBSJV-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc2ccccc2c1 ZINC000281171461 195134403 /nfs/dbraw/zinc/13/44/03/195134403.db2.gz GXFXRQSBVRTHBB-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2ccccc2c1 ZINC000281171461 195134404 /nfs/dbraw/zinc/13/44/04/195134404.db2.gz GXFXRQSBVRTHBB-UHFFFAOYSA-N 2 2 283.419 3.153 20 0 CGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000288863594 197181623 /nfs/dbraw/zinc/18/16/23/197181623.db2.gz QAYLHLVLFIFTLC-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000288863594 197181625 /nfs/dbraw/zinc/18/16/25/197181625.db2.gz QAYLHLVLFIFTLC-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000288773621 197162865 /nfs/dbraw/zinc/16/28/65/197162865.db2.gz JVICSTIPCVKUER-CVEARBPZSA-N 2 2 296.842 3.101 20 0 CGADLP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000288773621 197162866 /nfs/dbraw/zinc/16/28/66/197162866.db2.gz JVICSTIPCVKUER-CVEARBPZSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334178067 542454384 /nfs/dbraw/zinc/45/43/84/542454384.db2.gz DGOPJSICYXKYGR-CXAGYDPISA-N 2 2 291.439 3.109 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334178067 542454387 /nfs/dbraw/zinc/45/43/87/542454387.db2.gz DGOPJSICYXKYGR-CXAGYDPISA-N 2 2 291.439 3.109 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000188993120 285261159 /nfs/dbraw/zinc/26/11/59/285261159.db2.gz HTNMNZOMNFXWFT-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000188993120 285261163 /nfs/dbraw/zinc/26/11/63/285261163.db2.gz HTNMNZOMNFXWFT-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000281307368 195190993 /nfs/dbraw/zinc/19/09/93/195190993.db2.gz RQQXRNGEJIOAGP-ZACQAIPSSA-N 2 2 298.434 3.291 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000339073724 542486194 /nfs/dbraw/zinc/48/61/94/542486194.db2.gz DTGTYAXJSBQYJF-GJZGRUSLSA-N 2 2 291.439 3.295 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000339073724 542486195 /nfs/dbraw/zinc/48/61/95/542486195.db2.gz DTGTYAXJSBQYJF-GJZGRUSLSA-N 2 2 291.439 3.295 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000348087542 542513762 /nfs/dbraw/zinc/51/37/62/542513762.db2.gz POOHTGPYQUYDFF-JKSUJKDBSA-N 2 2 267.376 3.151 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000188459834 262297819 /nfs/dbraw/zinc/29/78/19/262297819.db2.gz XTMDNQYFYQBPJM-RDJZCZTQSA-N 2 2 258.409 3.063 20 0 CGADLP FC1(F)CC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281675336 195331736 /nfs/dbraw/zinc/33/17/36/195331736.db2.gz OFGZLHLFDKHNSM-AWEZNQCLSA-N 2 2 291.345 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2ccccc2s1 ZINC000423245562 533419527 /nfs/dbraw/zinc/41/95/27/533419527.db2.gz YQDUKJCILZZACU-YPMHNXCESA-N 2 2 260.406 3.304 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423234003 533430965 /nfs/dbraw/zinc/43/09/65/533430965.db2.gz FHGBUZOZFIUBIM-BZNIZROVSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1Cl ZINC000423384038 533525317 /nfs/dbraw/zinc/52/53/17/533525317.db2.gz PXYPYNXNAYNABC-CKYFFXLPSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2n1 ZINC000424382134 533519929 /nfs/dbraw/zinc/51/99/29/533519929.db2.gz ZWFVJMIYJXUPTK-SUYBPPKGSA-N 2 2 269.392 3.155 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(Br)c1 ZINC000423554149 533540528 /nfs/dbraw/zinc/54/05/28/533540528.db2.gz LCRLNFCEXVKSHW-RISCZKNCSA-N 2 2 297.240 3.242 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000381054745 542596015 /nfs/dbraw/zinc/59/60/15/542596015.db2.gz LBVCAPGMEGVUHN-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000381054745 542596018 /nfs/dbraw/zinc/59/60/18/542596018.db2.gz LBVCAPGMEGVUHN-DZGCQCFKSA-N 2 2 276.449 3.297 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCS[C@H]2C)n1-c1ccccc1 ZINC000381140853 542597297 /nfs/dbraw/zinc/59/72/97/542597297.db2.gz JRAGOXRJNDSKCR-BLLLJJGKSA-N 2 2 287.432 3.164 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389475361 542608040 /nfs/dbraw/zinc/60/80/40/542608040.db2.gz WAUKJVDVNJSJBM-CGZBRXJRSA-N 2 2 258.409 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389475361 542608044 /nfs/dbraw/zinc/60/80/44/542608044.db2.gz WAUKJVDVNJSJBM-CGZBRXJRSA-N 2 2 258.409 3.007 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389327784 542609182 /nfs/dbraw/zinc/60/91/82/542609182.db2.gz HFPFNUWWHIBHJO-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389327784 542609184 /nfs/dbraw/zinc/60/91/84/542609184.db2.gz HFPFNUWWHIBHJO-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000191013767 130170608 /nfs/dbraw/zinc/17/06/08/130170608.db2.gz ATOPAFRKJVEWJN-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000191013767 130170612 /nfs/dbraw/zinc/17/06/12/130170612.db2.gz ATOPAFRKJVEWJN-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000414925215 542640146 /nfs/dbraw/zinc/64/01/46/542640146.db2.gz LOELRQOHRXLIJS-ILXRZTDVSA-N 2 2 282.378 3.112 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000020560439 391940473 /nfs/dbraw/zinc/94/04/73/391940473.db2.gz WRPLBUMNFSFPFK-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP CCCC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000020560439 391940479 /nfs/dbraw/zinc/94/04/79/391940479.db2.gz WRPLBUMNFSFPFK-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423080411 542647108 /nfs/dbraw/zinc/64/71/08/542647108.db2.gz SLFKAESNEULVKA-CXAGYDPISA-N 2 2 258.409 3.184 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000049592546 392054061 /nfs/dbraw/zinc/05/40/61/392054061.db2.gz SINRXSQFSLRZDW-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000049592546 392054066 /nfs/dbraw/zinc/05/40/66/392054066.db2.gz SINRXSQFSLRZDW-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000063191480 392136027 /nfs/dbraw/zinc/13/60/27/392136027.db2.gz HQBZFJDMRXHAIG-SMDDNHRTSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000063191480 392136030 /nfs/dbraw/zinc/13/60/30/392136030.db2.gz HQBZFJDMRXHAIG-SMDDNHRTSA-N 2 2 252.789 3.042 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000071142031 392189007 /nfs/dbraw/zinc/18/90/07/392189007.db2.gz QSBMXRCJUVAGPR-WDEREUQCSA-N 2 2 270.779 3.081 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000071142031 392189010 /nfs/dbraw/zinc/18/90/10/392189010.db2.gz QSBMXRCJUVAGPR-WDEREUQCSA-N 2 2 270.779 3.081 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC(C)C ZINC000361706801 392301252 /nfs/dbraw/zinc/30/12/52/392301252.db2.gz SAOIYRGCXHAPNU-UHFFFAOYSA-N 2 2 257.381 3.269 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC(C)C ZINC000361706801 392301258 /nfs/dbraw/zinc/30/12/58/392301258.db2.gz SAOIYRGCXHAPNU-UHFFFAOYSA-N 2 2 257.381 3.269 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3c[nH+]cn3C)c(C)c2c1 ZINC000106472594 392302663 /nfs/dbraw/zinc/30/26/63/392302663.db2.gz NQKIBDFCJNYNMH-GFCCVEGCSA-N 2 2 299.374 3.334 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000285824904 392335355 /nfs/dbraw/zinc/33/53/55/392335355.db2.gz WPFVCECJXKFJJA-HZPDHXFCSA-N 2 2 275.440 3.305 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000285824904 392335360 /nfs/dbraw/zinc/33/53/60/392335360.db2.gz WPFVCECJXKFJJA-HZPDHXFCSA-N 2 2 275.440 3.305 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3C3CC3)CC2)[nH+]c1 ZINC000345073424 285481152 /nfs/dbraw/zinc/48/11/52/285481152.db2.gz XNBSNRPFCQEKNP-IAGOWNOFSA-N 2 2 285.435 3.219 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000362052681 392396519 /nfs/dbraw/zinc/39/65/19/392396519.db2.gz NMFSHARRVJMWRG-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000362052681 392396523 /nfs/dbraw/zinc/39/65/23/392396523.db2.gz NMFSHARRVJMWRG-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000129070959 392452024 /nfs/dbraw/zinc/45/20/24/392452024.db2.gz SLPBKZWZGFTYKD-YESZJQIVSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000129070959 392452031 /nfs/dbraw/zinc/45/20/31/392452031.db2.gz SLPBKZWZGFTYKD-YESZJQIVSA-N 2 2 274.383 3.029 20 0 CGADLP Cc1cccc(NCc2ccc(C)[nH+]c2N2CCCC2)[nH+]1 ZINC000158417293 392565695 /nfs/dbraw/zinc/56/56/95/392565695.db2.gz QSFLBWDRHWHVDR-UHFFFAOYSA-N 2 2 282.391 3.306 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000297578326 392567991 /nfs/dbraw/zinc/56/79/91/392567991.db2.gz GYYWIEFMHLLJCS-WHOFXGATSA-N 2 2 264.438 3.414 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000297578326 392567995 /nfs/dbraw/zinc/56/79/95/392567995.db2.gz GYYWIEFMHLLJCS-WHOFXGATSA-N 2 2 264.438 3.414 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000158780176 392576195 /nfs/dbraw/zinc/57/61/95/392576195.db2.gz MJVKQTDUILOFEO-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP CCC[NH+]1CCC([NH2+]C2(c3ccccc3OC)CC2)CC1 ZINC000647328882 392671189 /nfs/dbraw/zinc/67/11/89/392671189.db2.gz ACZHSZHYUHWUII-UHFFFAOYSA-N 2 2 288.435 3.148 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280885 392632687 /nfs/dbraw/zinc/63/26/87/392632687.db2.gz JXMPOMNAWBNIRO-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000647280885 392632693 /nfs/dbraw/zinc/63/26/93/392632693.db2.gz JXMPOMNAWBNIRO-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372983276 392653504 /nfs/dbraw/zinc/65/35/04/392653504.db2.gz SKAQHMUIGULWPM-DZGCQCFKSA-N 2 2 284.407 3.182 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000647315808 392659992 /nfs/dbraw/zinc/65/99/92/392659992.db2.gz AOKVEPKCDUJDFI-GJZGRUSLSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccccc1C1([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000647315808 392659995 /nfs/dbraw/zinc/65/99/95/392659995.db2.gz AOKVEPKCDUJDFI-GJZGRUSLSA-N 2 2 270.420 3.199 20 0 CGADLP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647482850 392737756 /nfs/dbraw/zinc/73/77/56/392737756.db2.gz CVCOULVBGRXDMP-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647482850 392737763 /nfs/dbraw/zinc/73/77/63/392737763.db2.gz CVCOULVBGRXDMP-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647532940 392753810 /nfs/dbraw/zinc/75/38/10/392753810.db2.gz HYNIUJOHUGOMPW-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647532940 392753820 /nfs/dbraw/zinc/75/38/20/392753820.db2.gz HYNIUJOHUGOMPW-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC3 ZINC000180239169 392707445 /nfs/dbraw/zinc/70/74/45/392707445.db2.gz CXMBBLXRMKUGHR-CABCVRRESA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC3 ZINC000180239169 392707449 /nfs/dbraw/zinc/70/74/49/392707449.db2.gz CXMBBLXRMKUGHR-CABCVRRESA-N 2 2 297.446 3.017 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccco3)cn21 ZINC000647364479 392707992 /nfs/dbraw/zinc/70/79/92/392707992.db2.gz AXNGYEDZWCBDTO-CYBMUJFWSA-N 2 2 269.348 3.129 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000510693314 392809893 /nfs/dbraw/zinc/80/98/93/392809893.db2.gz AHSKOYMWFJKXIP-YVEFUNNKSA-N 2 2 296.405 3.216 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC12CCCC2 ZINC000423420314 285503156 /nfs/dbraw/zinc/50/31/56/285503156.db2.gz JHKBLBYZIUBKQD-IAGOWNOFSA-N 2 2 270.420 3.186 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414961450 285503176 /nfs/dbraw/zinc/50/31/76/285503176.db2.gz VHFYUFUQGNHOTO-KBAYOESNSA-N 2 2 270.420 3.042 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647872256 392818421 /nfs/dbraw/zinc/81/84/21/392818421.db2.gz OLZZWKKJKAEFQB-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647872256 392818425 /nfs/dbraw/zinc/81/84/25/392818425.db2.gz OLZZWKKJKAEFQB-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000519745457 392890355 /nfs/dbraw/zinc/89/03/55/392890355.db2.gz JWASHPNNJWGIPQ-AWEZNQCLSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382048836 392917034 /nfs/dbraw/zinc/91/70/34/392917034.db2.gz FKECTENMUOONAV-AKZYDZMLSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382079363 392917069 /nfs/dbraw/zinc/91/70/69/392917069.db2.gz HWTVDUCKCMBAHA-IASGZQPQSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382079363 392917076 /nfs/dbraw/zinc/91/70/76/392917076.db2.gz HWTVDUCKCMBAHA-IASGZQPQSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C[N@@H+]1C1CC1 ZINC000390541270 392926572 /nfs/dbraw/zinc/92/65/72/392926572.db2.gz HIQLXZRROSMSSP-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C[N@H+]1C1CC1 ZINC000390541270 392926579 /nfs/dbraw/zinc/92/65/79/392926579.db2.gz HIQLXZRROSMSSP-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000340198276 392967951 /nfs/dbraw/zinc/96/79/51/392967951.db2.gz JPEBPQAPNXFWQQ-IAGOWNOFSA-N 2 2 270.376 3.205 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2)C[C@@H]1c1ccccc1 ZINC000340198276 392967957 /nfs/dbraw/zinc/96/79/57/392967957.db2.gz JPEBPQAPNXFWQQ-IAGOWNOFSA-N 2 2 270.376 3.205 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000344083170 393037304 /nfs/dbraw/zinc/03/73/04/393037304.db2.gz ZYVNLFSFXATBEV-DMRKSPOLSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000344083170 393037309 /nfs/dbraw/zinc/03/73/09/393037309.db2.gz ZYVNLFSFXATBEV-DMRKSPOLSA-N 2 2 294.483 3.043 20 0 CGADLP CCCc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415038180 393106207 /nfs/dbraw/zinc/10/62/07/393106207.db2.gz HQHNZBOXVZZTSU-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415038180 393106211 /nfs/dbraw/zinc/10/62/11/393106211.db2.gz HQHNZBOXVZZTSU-UKRRQHHQSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000648480323 393053963 /nfs/dbraw/zinc/05/39/63/393053963.db2.gz GZHSNWNZJIMQLQ-ZTFGCOKTSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000648480323 393053968 /nfs/dbraw/zinc/05/39/68/393053968.db2.gz GZHSNWNZJIMQLQ-ZTFGCOKTSA-N 2 2 284.447 3.149 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000414755376 393055227 /nfs/dbraw/zinc/05/52/27/393055227.db2.gz HKQUQFZAXVOYLY-NEPJUHHUSA-N 2 2 280.378 3.270 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000414755376 393055231 /nfs/dbraw/zinc/05/52/31/393055231.db2.gz HKQUQFZAXVOYLY-NEPJUHHUSA-N 2 2 280.378 3.270 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546574739 393058855 /nfs/dbraw/zinc/05/88/55/393058855.db2.gz QDMDVZWVDUIETE-QGZVFWFLSA-N 2 2 272.436 3.168 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546574739 393058859 /nfs/dbraw/zinc/05/88/59/393058859.db2.gz QDMDVZWVDUIETE-QGZVFWFLSA-N 2 2 272.436 3.168 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871540 393079528 /nfs/dbraw/zinc/07/95/28/393079528.db2.gz OHYYMLWBBJZQHD-HBUWYVDXSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000546871540 393079532 /nfs/dbraw/zinc/07/95/32/393079532.db2.gz OHYYMLWBBJZQHD-HBUWYVDXSA-N 2 2 272.436 3.166 20 0 CGADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1cccc(Cl)c1 ZINC000414989405 393081267 /nfs/dbraw/zinc/08/12/67/393081267.db2.gz MSZLFWAAFWPRPI-SKDRFNHKSA-N 2 2 276.758 3.016 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000415046744 393110823 /nfs/dbraw/zinc/11/08/23/393110823.db2.gz VIKHOANNONQMHG-CQSZACIVSA-N 2 2 287.432 3.040 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](CCC[NH3+])c2ccccc2)c[nH+]1 ZINC000415054869 393117037 /nfs/dbraw/zinc/11/70/37/393117037.db2.gz NXZSLAMDDLUDCY-LJQANCHMSA-N 3 2 297.446 3.392 20 0 CGADLP COc1ccc2oc(C[NH2+][C@H](C[NH3+])C3CCCC3)cc2c1 ZINC000415063060 393123373 /nfs/dbraw/zinc/12/33/73/393123373.db2.gz GVNPXXWOMZGSOI-MRXNPFEDSA-N 2 2 288.391 3.049 20 0 CGADLP c1csc(-c2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)c1 ZINC000415064035 393123627 /nfs/dbraw/zinc/12/36/27/393123627.db2.gz BLLVEDSJZYGEHH-UHFFFAOYSA-N 2 2 293.461 3.103 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000415070313 393128125 /nfs/dbraw/zinc/12/81/25/393128125.db2.gz UPQFHECYZNOJJY-RCCFBDPRSA-N 2 2 272.436 3.417 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000415071587 393128508 /nfs/dbraw/zinc/12/85/08/393128508.db2.gz WQODDEUYFZJMBA-KRWDZBQOSA-N 2 2 290.357 3.317 20 0 CGADLP CSc1cc(C)ccc1C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415084875 393138751 /nfs/dbraw/zinc/13/87/51/393138751.db2.gz PDGYULDBZCHRKV-AWEZNQCLSA-N 2 2 266.454 3.180 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000415108707 393147669 /nfs/dbraw/zinc/14/76/69/393147669.db2.gz MVFOKIOAJJZAQZ-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000415108707 393147675 /nfs/dbraw/zinc/14/76/75/393147675.db2.gz MVFOKIOAJJZAQZ-UHFFFAOYSA-N 2 2 280.824 3.459 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415127487 393152790 /nfs/dbraw/zinc/15/27/90/393152790.db2.gz NGXKDHMBJJHCST-JSGCOSHPSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415127487 393152799 /nfs/dbraw/zinc/15/27/99/393152799.db2.gz NGXKDHMBJJHCST-JSGCOSHPSA-N 2 2 296.842 3.155 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353268724 393218301 /nfs/dbraw/zinc/21/83/01/393218301.db2.gz GISMZEVHJIGXNI-NSHDSACASA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228964 393216172 /nfs/dbraw/zinc/21/61/72/393216172.db2.gz DMTQHGYVLZPBRB-MBNYWOFBSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC(F)(F)CC1 ZINC000353228964 393216182 /nfs/dbraw/zinc/21/61/82/393216182.db2.gz DMTQHGYVLZPBRB-MBNYWOFBSA-N 2 2 286.410 3.415 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347871 393293696 /nfs/dbraw/zinc/29/36/96/393293696.db2.gz YMNXOHKUCIGTLX-IUODEOHRSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347871 393293701 /nfs/dbraw/zinc/29/37/01/393293701.db2.gz YMNXOHKUCIGTLX-IUODEOHRSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1Cl ZINC000275347871 393293704 /nfs/dbraw/zinc/29/37/04/393293704.db2.gz YMNXOHKUCIGTLX-IUODEOHRSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1Cl ZINC000275347871 393293707 /nfs/dbraw/zinc/29/37/07/393293707.db2.gz YMNXOHKUCIGTLX-IUODEOHRSA-N 2 2 266.816 3.112 20 0 CGADLP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423209194 285527699 /nfs/dbraw/zinc/52/76/99/285527699.db2.gz UWKVLERVGVUSQT-FZMZJTMJSA-N 2 2 272.417 3.230 20 0 CGADLP Cc1cccn2c(C[NH2+]CC3CCC(F)CC3)c[nH+]c12 ZINC000647252853 393414629 /nfs/dbraw/zinc/41/46/29/393414629.db2.gz ZJCPQIIOYFUEIA-UHFFFAOYSA-N 2 2 275.371 3.261 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000356350008 393424845 /nfs/dbraw/zinc/42/48/45/393424845.db2.gz XDOFTKJWZNGXLS-CWRNSKLLSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000356350008 393424849 /nfs/dbraw/zinc/42/48/49/393424849.db2.gz XDOFTKJWZNGXLS-CWRNSKLLSA-N 2 2 273.424 3.202 20 0 CGADLP COc1cccc2c(N[C@H](C[NH3+])CC(C)C)cc[nH+]c12 ZINC000420186204 393434528 /nfs/dbraw/zinc/43/45/28/393434528.db2.gz LSKVGFGSZSFMHU-LBPRGKRZSA-N 2 2 273.380 3.029 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000482087472 393438505 /nfs/dbraw/zinc/43/85/05/393438505.db2.gz HUZSIGZQVMDFMJ-HNNXBMFYSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H](C)C(C)(C)c1ccccc1)C1CC1 ZINC000482087472 393438508 /nfs/dbraw/zinc/43/85/08/393438508.db2.gz HUZSIGZQVMDFMJ-HNNXBMFYSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000420265991 393445623 /nfs/dbraw/zinc/44/56/23/393445623.db2.gz CGPFDFSOLHEYJO-UHFFFAOYSA-N 2 2 282.815 3.050 20 0 CGADLP CSc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420271496 393447330 /nfs/dbraw/zinc/44/73/30/393447330.db2.gz KOINIQURFTVRHZ-TZMCWYRMSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420271496 393447333 /nfs/dbraw/zinc/44/73/33/393447333.db2.gz KOINIQURFTVRHZ-TZMCWYRMSA-N 2 2 264.438 3.110 20 0 CGADLP CC[N@H+](C[C@H](C)[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000420303337 393457751 /nfs/dbraw/zinc/45/77/51/393457751.db2.gz NAQCNAVDLMFIFK-XJKSGUPXSA-N 2 2 266.404 3.062 20 0 CGADLP CC[N@@H+](C[C@H](C)[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000420303337 393457755 /nfs/dbraw/zinc/45/77/55/393457755.db2.gz NAQCNAVDLMFIFK-XJKSGUPXSA-N 2 2 266.404 3.062 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C2(C[NH3+])CCC2)c1C ZINC000420333891 393470467 /nfs/dbraw/zinc/47/04/67/393470467.db2.gz TXNPJXSQPNETCA-UHFFFAOYSA-N 2 2 288.435 3.128 20 0 CGADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)C2(C[NH3+])CCC2)c1C ZINC000420333891 393470473 /nfs/dbraw/zinc/47/04/73/393470473.db2.gz TXNPJXSQPNETCA-UHFFFAOYSA-N 2 2 288.435 3.128 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)o1 ZINC000420361639 393475654 /nfs/dbraw/zinc/47/56/54/393475654.db2.gz MHBWUEITQMPHIL-CYBMUJFWSA-N 2 2 293.436 3.175 20 0 CGADLP Cc1cc2[nH+]cn(Cc3ccc4c(c3)C[NH2+]CC4)c2cc1C ZINC000649545399 393477562 /nfs/dbraw/zinc/47/75/62/393477562.db2.gz CZQCETNSSOOQPF-UHFFFAOYSA-N 2 2 291.398 3.347 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3C[C@H]3C)c(C)c2)CC1 ZINC000488292448 393479084 /nfs/dbraw/zinc/47/90/84/393479084.db2.gz IUQYKMAXHRBSNP-ZBFHGGJFSA-N 2 2 287.451 3.205 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578027 393486594 /nfs/dbraw/zinc/48/65/94/393486594.db2.gz RJFXPIPFWJVUKD-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000429578027 393486599 /nfs/dbraw/zinc/48/65/99/393486599.db2.gz RJFXPIPFWJVUKD-YOEHRIQHSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C ZINC000488348816 393492542 /nfs/dbraw/zinc/49/25/42/393492542.db2.gz CWKQGJZCNZZNKV-KBMXLJTQSA-N 2 2 283.419 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1C ZINC000488348816 393492546 /nfs/dbraw/zinc/49/25/46/393492546.db2.gz CWKQGJZCNZZNKV-KBMXLJTQSA-N 2 2 283.419 3.465 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488405878 393500233 /nfs/dbraw/zinc/50/02/33/393500233.db2.gz JOYAQHBLHDTRCC-CABCVRRESA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000488407117 393502203 /nfs/dbraw/zinc/50/22/03/393502203.db2.gz DSHQUDAPUJQCPA-PBHICJAKSA-N 2 2 272.436 3.069 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000488407117 393502208 /nfs/dbraw/zinc/50/22/08/393502208.db2.gz DSHQUDAPUJQCPA-PBHICJAKSA-N 2 2 272.436 3.069 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488435331 393512383 /nfs/dbraw/zinc/51/23/83/393512383.db2.gz VIWAEXNBKPLOFM-CBBWQLFWSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488435331 393512386 /nfs/dbraw/zinc/51/23/86/393512386.db2.gz VIWAEXNBKPLOFM-CBBWQLFWSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000430104351 393524328 /nfs/dbraw/zinc/52/43/28/393524328.db2.gz NDSWAJFFXXDGBE-MRXNPFEDSA-N 2 2 269.392 3.345 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2cccc3[nH+]ccn32)CC12CCC2 ZINC000430104351 393524331 /nfs/dbraw/zinc/52/43/31/393524331.db2.gz NDSWAJFFXXDGBE-MRXNPFEDSA-N 2 2 269.392 3.345 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422977662 292017645 /nfs/dbraw/zinc/01/76/45/292017645.db2.gz XDQGAPPNNIJWRK-VHDGCEQUSA-N 2 2 276.424 3.332 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430546707 393573233 /nfs/dbraw/zinc/57/32/33/393573233.db2.gz SQOVMAATIOFHQT-YNEHKIRRSA-N 2 2 279.428 3.092 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430546707 393573238 /nfs/dbraw/zinc/57/32/38/393573238.db2.gz SQOVMAATIOFHQT-YNEHKIRRSA-N 2 2 279.428 3.092 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770455 542814780 /nfs/dbraw/zinc/81/47/80/542814780.db2.gz BDFAHVFIKGXNPX-AWEZNQCLSA-N 2 2 286.341 3.246 20 0 CGADLP Clc1cc2cccnc2c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666769177 542814838 /nfs/dbraw/zinc/81/48/38/542814838.db2.gz URIAXGAXHZJOAH-HNNXBMFYSA-N 2 2 289.810 3.120 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430573904 393579031 /nfs/dbraw/zinc/57/90/31/393579031.db2.gz ROPMTKGWPAPMGI-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430573904 393579037 /nfs/dbraw/zinc/57/90/37/393579037.db2.gz ROPMTKGWPAPMGI-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000430643888 393581546 /nfs/dbraw/zinc/58/15/46/393581546.db2.gz MSZBEGNWJNPXOT-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000430643888 393581553 /nfs/dbraw/zinc/58/15/53/393581553.db2.gz MSZBEGNWJNPXOT-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1cccc2ccccc21 ZINC000430631372 393582279 /nfs/dbraw/zinc/58/22/79/393582279.db2.gz BDIYWBKBHJXZIL-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1cccc2ccccc21 ZINC000430631372 393582285 /nfs/dbraw/zinc/58/22/85/393582285.db2.gz BDIYWBKBHJXZIL-MRXNPFEDSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000432833431 393649700 /nfs/dbraw/zinc/64/97/00/393649700.db2.gz WPYVZDIHEKCIQC-NUJGCVRESA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000432833431 393649705 /nfs/dbraw/zinc/64/97/05/393649705.db2.gz WPYVZDIHEKCIQC-NUJGCVRESA-N 2 2 294.483 3.140 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423240526 393656454 /nfs/dbraw/zinc/65/64/54/393656454.db2.gz HJXBUTIEPDLQFO-LBPRGKRZSA-N 2 2 270.829 3.076 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccncc1 ZINC000423440716 393667845 /nfs/dbraw/zinc/66/78/45/393667845.db2.gz VVPIFTRSBKXKHI-ZWKOTPCHSA-N 2 2 281.403 3.009 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066159 393741864 /nfs/dbraw/zinc/74/18/64/393741864.db2.gz RFKNPVSIPCJCNK-HRCADAONSA-N 2 2 294.483 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCC2 ZINC000443066159 393741868 /nfs/dbraw/zinc/74/18/68/393741868.db2.gz RFKNPVSIPCJCNK-HRCADAONSA-N 2 2 294.483 3.044 20 0 CGADLP CCOC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443206698 393749568 /nfs/dbraw/zinc/74/95/68/393749568.db2.gz XHWTUTMSBRAYSO-ZMSDIMECSA-N 2 2 278.440 3.001 20 0 CGADLP CCOC1CC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443217172 393750007 /nfs/dbraw/zinc/75/00/07/393750007.db2.gz RIGLYRGGVWCTAK-IDMDMSBLSA-N 2 2 290.451 3.143 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000491484419 393693218 /nfs/dbraw/zinc/69/32/18/393693218.db2.gz JXSQEOGKYWMTDM-NVXWUHKLSA-N 2 2 274.452 3.121 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000491484419 393693224 /nfs/dbraw/zinc/69/32/24/393693224.db2.gz JXSQEOGKYWMTDM-NVXWUHKLSA-N 2 2 274.452 3.121 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433250676 393703226 /nfs/dbraw/zinc/70/32/26/393703226.db2.gz WZTRCXWLILOSHJ-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433250676 393703231 /nfs/dbraw/zinc/70/32/31/393703231.db2.gz WZTRCXWLILOSHJ-UHFFFAOYSA-N 2 2 281.762 3.116 20 0 CGADLP Clc1cccc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000433300938 393709402 /nfs/dbraw/zinc/70/94/02/393709402.db2.gz UNXKAXZBJRMGIK-CQSZACIVSA-N 2 2 275.783 3.026 20 0 CGADLP Clc1cccc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000433300938 393709404 /nfs/dbraw/zinc/70/94/04/393709404.db2.gz UNXKAXZBJRMGIK-CQSZACIVSA-N 2 2 275.783 3.026 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000494619099 393776424 /nfs/dbraw/zinc/77/64/24/393776424.db2.gz UAHKREWPKNYMFL-IWCQGFGOSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000494619099 393776426 /nfs/dbraw/zinc/77/64/26/393776426.db2.gz UAHKREWPKNYMFL-IWCQGFGOSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369025 393782075 /nfs/dbraw/zinc/78/20/75/393782075.db2.gz IBCYCGZFXAYMGO-XHDPSFHLSA-N 2 2 296.817 3.050 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000498369025 393782078 /nfs/dbraw/zinc/78/20/78/393782078.db2.gz IBCYCGZFXAYMGO-XHDPSFHLSA-N 2 2 296.817 3.050 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1(C)C ZINC000447593335 393865946 /nfs/dbraw/zinc/86/59/46/393865946.db2.gz REOHFXQABKSXHA-YESZJQIVSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1(C)C ZINC000447593335 393865949 /nfs/dbraw/zinc/86/59/49/393865949.db2.gz REOHFXQABKSXHA-YESZJQIVSA-N 2 2 294.483 3.185 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998414 542835195 /nfs/dbraw/zinc/83/51/95/542835195.db2.gz SJSMUGXDWPJSIP-OAHLLOKOSA-N 2 2 297.402 3.106 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000453248587 394220108 /nfs/dbraw/zinc/22/01/08/394220108.db2.gz JDZSTKPIZXQLKC-VXGBXAGGSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000453248587 394220111 /nfs/dbraw/zinc/22/01/11/394220111.db2.gz JDZSTKPIZXQLKC-VXGBXAGGSA-N 2 2 261.394 3.069 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253349 394221786 /nfs/dbraw/zinc/22/17/86/394221786.db2.gz HZCKCIPEDUZQPS-IOASZLSFSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(C)c(F)c2)C1 ZINC000453253349 394221792 /nfs/dbraw/zinc/22/17/92/394221792.db2.gz HZCKCIPEDUZQPS-IOASZLSFSA-N 2 2 264.388 3.125 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000453586388 394250587 /nfs/dbraw/zinc/25/05/87/394250587.db2.gz UMHPSBFBFLQGEM-MRXNPFEDSA-N 2 2 276.424 3.117 20 0 CGADLP FC1(F)CC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000453594090 394252642 /nfs/dbraw/zinc/25/26/42/394252642.db2.gz WJPIAKQGCPEMHX-UHFFFAOYSA-N 2 2 297.374 3.459 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC([NH+](C)C)CC3)[nH]c2c1 ZINC000667516865 542882624 /nfs/dbraw/zinc/88/26/24/542882624.db2.gz KZVYMQQMGIQABN-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP c1cn(C2CC[NH+](Cc3cc4ccncc4s3)CC2)c[nH+]1 ZINC000667563446 542890056 /nfs/dbraw/zinc/89/00/56/542890056.db2.gz CVZZODPVKSMJMQ-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCS[C@H](c3ccccc3)C1)CCC2 ZINC000667643108 542902261 /nfs/dbraw/zinc/90/22/61/542902261.db2.gz UWKCVPQGUGJOEB-INIZCTEOSA-N 2 2 299.443 3.119 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCS[C@H](c3ccccc3)C1)CCC2 ZINC000667643108 542902265 /nfs/dbraw/zinc/90/22/65/542902265.db2.gz UWKCVPQGUGJOEB-INIZCTEOSA-N 2 2 299.443 3.119 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667714740 542922033 /nfs/dbraw/zinc/92/20/33/542922033.db2.gz PWRKNZRYEHTKEC-HHXXYDBFSA-N 2 2 299.462 3.347 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667671310 542914357 /nfs/dbraw/zinc/91/43/57/542914357.db2.gz OCDWSCUIPKMZEI-KRWDZBQOSA-N 2 2 285.435 3.490 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667671310 542914360 /nfs/dbraw/zinc/91/43/60/542914360.db2.gz OCDWSCUIPKMZEI-KRWDZBQOSA-N 2 2 285.435 3.490 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913135 542944313 /nfs/dbraw/zinc/94/43/13/542944313.db2.gz ZETZREHKHSZFQT-FXECBMLZSA-N 2 2 299.462 3.385 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)[nH]c2c1 ZINC000668172461 542980611 /nfs/dbraw/zinc/98/06/11/542980611.db2.gz OIVNVZHLVCGWKO-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)[nH]c2c1 ZINC000668172461 542980613 /nfs/dbraw/zinc/98/06/13/542980613.db2.gz OIVNVZHLVCGWKO-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)[nH]c2c1 ZINC000668172461 542980615 /nfs/dbraw/zinc/98/06/15/542980615.db2.gz OIVNVZHLVCGWKO-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)[nH]c2c1 ZINC000668172461 542980616 /nfs/dbraw/zinc/98/06/16/542980616.db2.gz OIVNVZHLVCGWKO-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423387585 285622468 /nfs/dbraw/zinc/62/24/68/285622468.db2.gz SNSMFCXIBJJOKP-GHMZBOCLSA-N 2 2 283.485 3.398 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423382820 285622644 /nfs/dbraw/zinc/62/26/44/285622644.db2.gz OPVBASQNSAIBAO-DOMZBBRYSA-N 2 2 296.842 3.450 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC[N@@H+]1C ZINC000346321870 289060591 /nfs/dbraw/zinc/06/05/91/289060591.db2.gz FJWMPPWXJXBJNG-SYAUCNOPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC[N@H+]1C ZINC000346321870 289060596 /nfs/dbraw/zinc/06/05/96/289060596.db2.gz FJWMPPWXJXBJNG-SYAUCNOPSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000671296280 543166764 /nfs/dbraw/zinc/16/67/64/543166764.db2.gz UORXKEHEYXHFJI-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000671296280 543166767 /nfs/dbraw/zinc/16/67/67/543166767.db2.gz UORXKEHEYXHFJI-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000671297080 543167462 /nfs/dbraw/zinc/16/74/62/543167462.db2.gz JWKAWXBKSMQRSK-JKSUJKDBSA-N 2 2 283.419 3.482 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000671297079 543167471 /nfs/dbraw/zinc/16/74/71/543167471.db2.gz JWKAWXBKSMQRSK-HZPDHXFCSA-N 2 2 283.419 3.482 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000037917663 397609589 /nfs/dbraw/zinc/60/95/89/397609589.db2.gz XTYJCRBIIPQGFJ-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000037917663 397609592 /nfs/dbraw/zinc/60/95/92/397609592.db2.gz XTYJCRBIIPQGFJ-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP c1cnc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000387935983 397690422 /nfs/dbraw/zinc/69/04/22/397690422.db2.gz CIIPKIAUDBOTDF-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000387935983 397690424 /nfs/dbraw/zinc/69/04/24/397690424.db2.gz CIIPKIAUDBOTDF-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccccc2Cl)CCC1)[C@@H]1CCC[NH2+]1 ZINC000650739862 397903758 /nfs/dbraw/zinc/90/37/58/397903758.db2.gz ATWHKWVCBXATBX-DOMZBBRYSA-N 2 2 278.827 3.449 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000650743094 397905121 /nfs/dbraw/zinc/90/51/21/397905121.db2.gz LWVBGFKZKKIQLB-TUKIKUTGSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000650763813 397912789 /nfs/dbraw/zinc/91/27/89/397912789.db2.gz KCRNQHWSZAUZRK-BXUZGUMPSA-N 2 2 298.352 3.425 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000675766017 543361426 /nfs/dbraw/zinc/36/14/26/543361426.db2.gz GJWNYHHMCAAYAC-CHWSQXEVSA-N 2 2 298.377 3.341 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763635 543361922 /nfs/dbraw/zinc/36/19/22/543361922.db2.gz SVMSVUXDQWZMIV-OXQOHEQNSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763635 543361924 /nfs/dbraw/zinc/36/19/24/543361924.db2.gz SVMSVUXDQWZMIV-OXQOHEQNSA-N 2 2 294.442 3.436 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)s1 ZINC000676491511 543400141 /nfs/dbraw/zinc/40/01/41/543400141.db2.gz DMCGKWNCXGLXQI-NSHDSACASA-N 2 2 290.436 3.308 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678131949 543485692 /nfs/dbraw/zinc/48/56/92/543485692.db2.gz SRQDOJLOZPFDCC-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678131949 543485693 /nfs/dbraw/zinc/48/56/93/543485693.db2.gz SRQDOJLOZPFDCC-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000678076864 543481699 /nfs/dbraw/zinc/48/16/99/543481699.db2.gz GDDCANXQKUAJBO-CZUORRHYSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000678076864 543481702 /nfs/dbraw/zinc/48/17/02/543481702.db2.gz GDDCANXQKUAJBO-CZUORRHYSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000678076864 543481704 /nfs/dbraw/zinc/48/17/04/543481704.db2.gz GDDCANXQKUAJBO-CZUORRHYSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000678076864 543481707 /nfs/dbraw/zinc/48/17/07/543481707.db2.gz GDDCANXQKUAJBO-CZUORRHYSA-N 2 2 276.399 3.229 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC3 ZINC000678079656 543482388 /nfs/dbraw/zinc/48/23/88/543482388.db2.gz VHNDKCGTDMQMSE-HNNXBMFYSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC3 ZINC000678079656 543482390 /nfs/dbraw/zinc/48/23/90/543482390.db2.gz VHNDKCGTDMQMSE-HNNXBMFYSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC3 ZINC000678079656 543482391 /nfs/dbraw/zinc/48/23/91/543482391.db2.gz VHNDKCGTDMQMSE-HNNXBMFYSA-N 2 2 297.446 3.319 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC3 ZINC000678079656 543482393 /nfs/dbraw/zinc/48/23/93/543482393.db2.gz VHNDKCGTDMQMSE-HNNXBMFYSA-N 2 2 297.446 3.319 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(F)c1F ZINC000678235574 543497911 /nfs/dbraw/zinc/49/79/11/543497911.db2.gz WIDUKVDJFHCKOJ-GFCCVEGCSA-N 2 2 295.308 3.138 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(F)c1F ZINC000678235574 543497913 /nfs/dbraw/zinc/49/79/13/543497913.db2.gz WIDUKVDJFHCKOJ-GFCCVEGCSA-N 2 2 295.308 3.138 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235900 543498351 /nfs/dbraw/zinc/49/83/51/543498351.db2.gz ZKDBBGGEAZMARP-GFCCVEGCSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235900 543498353 /nfs/dbraw/zinc/49/83/53/543498353.db2.gz ZKDBBGGEAZMARP-GFCCVEGCSA-N 2 2 281.812 3.435 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2COc3ccc(Cl)cc32)CC1 ZINC000678773130 543556640 /nfs/dbraw/zinc/55/66/40/543556640.db2.gz ULNKFIZAVSWBLV-HNNXBMFYSA-N 2 2 294.826 3.238 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000678882855 543568895 /nfs/dbraw/zinc/56/88/95/543568895.db2.gz LMWQGXHWLXDDNL-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000678882855 543568897 /nfs/dbraw/zinc/56/88/97/543568897.db2.gz LMWQGXHWLXDDNL-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368101789 292205654 /nfs/dbraw/zinc/20/56/54/292205654.db2.gz LMWLUVDPGUROGR-CRAIPNDOSA-N 2 2 281.403 3.316 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368101789 292205655 /nfs/dbraw/zinc/20/56/55/292205655.db2.gz LMWLUVDPGUROGR-CRAIPNDOSA-N 2 2 281.403 3.316 20 0 CGADLP COCC1CCC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000449136304 292263739 /nfs/dbraw/zinc/26/37/39/292263739.db2.gz UVFSHDOHKPAQHX-NUWOQIAWSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000556203614 289377158 /nfs/dbraw/zinc/37/71/58/289377158.db2.gz UJZHJLSDEUEULK-RZLSGREXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000556203614 289377160 /nfs/dbraw/zinc/37/71/60/289377160.db2.gz UJZHJLSDEUEULK-RZLSGREXSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCCc3sccc32)c[nH+]1 ZINC000061329208 286957976 /nfs/dbraw/zinc/95/79/76/286957976.db2.gz MIMZIVLUIGNLMO-AWEZNQCLSA-N 2 2 275.421 3.392 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000422803506 287050295 /nfs/dbraw/zinc/05/02/95/287050295.db2.gz JAIHSAWDLRKTOA-UHIISALHSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000423503655 287053641 /nfs/dbraw/zinc/05/36/41/287053641.db2.gz GAKRVZUFCUOINJ-OTYXRUKQSA-N 2 2 286.341 3.272 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000079204041 287054931 /nfs/dbraw/zinc/05/49/31/287054931.db2.gz YBIAKKADQSQDJQ-INIZCTEOSA-N 2 2 254.377 3.103 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000494952414 287072642 /nfs/dbraw/zinc/07/26/42/287072642.db2.gz CYMUIAUYSFGETI-SSOQLKFYSA-N 2 2 260.425 3.312 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000079706247 165150742 /nfs/dbraw/zinc/15/07/42/165150742.db2.gz KWMQEGMKNLDZAI-IRXDYDNUSA-N 2 2 278.440 3.084 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000080279255 165153402 /nfs/dbraw/zinc/15/34/02/165153402.db2.gz OFERSJUOZCPTCC-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nccs1 ZINC000080279255 165153405 /nfs/dbraw/zinc/15/34/05/165153405.db2.gz OFERSJUOZCPTCC-STQMWFEESA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000080430678 165154160 /nfs/dbraw/zinc/15/41/60/165154160.db2.gz HBXURKIBXIUKDE-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423368544 287102663 /nfs/dbraw/zinc/10/26/63/287102663.db2.gz NIFIJPRYUASPMV-HQQPKKBNSA-N 2 2 294.389 3.189 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC000090170561 165229037 /nfs/dbraw/zinc/22/90/37/165229037.db2.gz KVUCNQRYMRBHPF-UHFFFAOYSA-N 2 2 284.407 3.111 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000090721312 287104974 /nfs/dbraw/zinc/10/49/74/287104974.db2.gz YSJXQBZDZMEKTA-JSGCOSHPSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000090721312 287104978 /nfs/dbraw/zinc/10/49/78/287104978.db2.gz YSJXQBZDZMEKTA-JSGCOSHPSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959950 165279859 /nfs/dbraw/zinc/27/98/59/165279859.db2.gz SEICCHWUWKPWDA-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000091959950 165279863 /nfs/dbraw/zinc/27/98/63/165279863.db2.gz SEICCHWUWKPWDA-GMXVVIOVSA-N 2 2 268.351 3.098 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092196098 165287241 /nfs/dbraw/zinc/28/72/41/165287241.db2.gz FVBMCOMTBXZCDM-CYBMUJFWSA-N 2 2 279.403 3.136 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000091333721 287107579 /nfs/dbraw/zinc/10/75/79/287107579.db2.gz SRFPAYWDLIZDSM-QWHCGFSZSA-N 2 2 280.843 3.343 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000091333721 287107580 /nfs/dbraw/zinc/10/75/80/287107580.db2.gz SRFPAYWDLIZDSM-QWHCGFSZSA-N 2 2 280.843 3.343 20 0 CGADLP CC[C@H](C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000093061194 165320407 /nfs/dbraw/zinc/32/04/07/165320407.db2.gz NRVJBBFJFPMPJK-AWEZNQCLSA-N 2 2 257.381 3.067 20 0 CGADLP CCc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000093660042 165332738 /nfs/dbraw/zinc/33/27/38/165332738.db2.gz QDXPYEIOFQTMDY-AWEZNQCLSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)o1 ZINC000093660042 165332744 /nfs/dbraw/zinc/33/27/44/165332744.db2.gz QDXPYEIOFQTMDY-AWEZNQCLSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000093660042 165332747 /nfs/dbraw/zinc/33/27/47/165332747.db2.gz QDXPYEIOFQTMDY-AWEZNQCLSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000093660042 165332749 /nfs/dbraw/zinc/33/27/49/165332749.db2.gz QDXPYEIOFQTMDY-AWEZNQCLSA-N 2 2 264.413 3.148 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683594 165334028 /nfs/dbraw/zinc/33/40/28/165334028.db2.gz ZBQCWZHURYCCPK-HNNXBMFYSA-N 2 2 276.424 3.150 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683594 165334030 /nfs/dbraw/zinc/33/40/30/165334030.db2.gz ZBQCWZHURYCCPK-HNNXBMFYSA-N 2 2 276.424 3.150 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097927709 165406773 /nfs/dbraw/zinc/40/67/73/165406773.db2.gz YCOOEGFPNOBBHX-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP c1cn(CCC[NH2+]C2[C@@H]3CC[C@H]2Cc2ccccc2C3)c[nH+]1 ZINC000284083627 195976748 /nfs/dbraw/zinc/97/67/48/195976748.db2.gz LXKRIKZUMZYKKA-DFNIBXOVSA-N 2 2 295.430 3.056 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000123012450 287214926 /nfs/dbraw/zinc/21/49/26/287214926.db2.gz VWGDSVQJTYZLNH-VNHYZAJKSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000123012450 287214929 /nfs/dbraw/zinc/21/49/29/287214929.db2.gz VWGDSVQJTYZLNH-VNHYZAJKSA-N 2 2 250.430 3.170 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000284276793 196019267 /nfs/dbraw/zinc/01/92/67/196019267.db2.gz JQDCLLCUVIFUDR-OAHLLOKOSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000124573045 287234669 /nfs/dbraw/zinc/23/46/69/287234669.db2.gz BPENKOXEEQLASV-CABZTGNLSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000124573045 287234671 /nfs/dbraw/zinc/23/46/71/287234671.db2.gz BPENKOXEEQLASV-CABZTGNLSA-N 2 2 273.207 3.305 20 0 CGADLP CCCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020305138 171141694 /nfs/dbraw/zinc/14/16/94/171141694.db2.gz MPOUEULCXRGTDF-UHFFFAOYSA-N 2 2 287.407 3.242 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020305527 171142303 /nfs/dbraw/zinc/14/23/03/171142303.db2.gz KAVGFUSYIFGSSP-IBGZPJMESA-N 2 2 280.415 3.359 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020305527 171142306 /nfs/dbraw/zinc/14/23/06/171142306.db2.gz KAVGFUSYIFGSSP-IBGZPJMESA-N 2 2 280.415 3.359 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000020506156 171228268 /nfs/dbraw/zinc/22/82/68/171228268.db2.gz HEPHCSLLORLWEP-GFCCVEGCSA-N 2 2 263.772 3.277 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000020506295 171228732 /nfs/dbraw/zinc/22/87/32/171228732.db2.gz FATUZTRIKCMCHK-LBPRGKRZSA-N 2 2 263.772 3.277 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000285348685 196257669 /nfs/dbraw/zinc/25/76/69/196257669.db2.gz VBMXWKLAJPQFNB-OAHLLOKOSA-N 2 2 269.392 3.433 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285627241 196348708 /nfs/dbraw/zinc/34/87/08/196348708.db2.gz WWEWLJKDLKYVEA-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285627241 196348710 /nfs/dbraw/zinc/34/87/10/196348710.db2.gz WWEWLJKDLKYVEA-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285627241 196348711 /nfs/dbraw/zinc/34/87/11/196348711.db2.gz WWEWLJKDLKYVEA-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1cc(F)ccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285627241 196348713 /nfs/dbraw/zinc/34/87/13/196348713.db2.gz WWEWLJKDLKYVEA-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631823 196350326 /nfs/dbraw/zinc/35/03/26/196350326.db2.gz AGYKNDCCYUKOPH-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631823 196350327 /nfs/dbraw/zinc/35/03/27/196350327.db2.gz AGYKNDCCYUKOPH-MLGOLLRUSA-N 2 2 270.376 3.005 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000037228668 173049372 /nfs/dbraw/zinc/04/93/72/173049372.db2.gz CQWRTABMROZVFT-KRWDZBQOSA-N 2 2 258.409 3.132 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000037538976 173258700 /nfs/dbraw/zinc/25/87/00/173258700.db2.gz JCSPNABUVZRVAU-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000037538976 173258703 /nfs/dbraw/zinc/25/87/03/173258703.db2.gz JCSPNABUVZRVAU-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP Cc1cc(NCC[NH+]2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000040444325 174264043 /nfs/dbraw/zinc/26/40/43/174264043.db2.gz CSIMLEYQRUQKML-UHFFFAOYSA-N 2 2 276.428 3.052 20 0 CGADLP CCCCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040506682 174302071 /nfs/dbraw/zinc/30/20/71/174302071.db2.gz VJUYAULFPQZACO-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000044558676 175203633 /nfs/dbraw/zinc/20/36/33/175203633.db2.gz YJMSWYNYWYDMOB-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000044558676 175203634 /nfs/dbraw/zinc/20/36/34/175203634.db2.gz YJMSWYNYWYDMOB-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH+](C)C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129236717 287327246 /nfs/dbraw/zinc/32/72/46/287327246.db2.gz IXLRGWPSBKDGNV-HZPDHXFCSA-N 2 2 260.425 3.458 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922135 416523044 /nfs/dbraw/zinc/52/30/44/416523044.db2.gz HGQNCUWDWMWDSA-BBWFWOEESA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000228922135 416523048 /nfs/dbraw/zinc/52/30/48/416523048.db2.gz HGQNCUWDWMWDSA-BBWFWOEESA-N 2 2 276.399 3.493 20 0 CGADLP C[C@]1([NH2+]Cc2ccc(O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406002279 416558393 /nfs/dbraw/zinc/55/83/93/416558393.db2.gz NZCQIVBYCGGGJK-IBGZPJMESA-N 2 2 296.414 3.146 20 0 CGADLP C[C@]1([NH2+]Cc2ccc(O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406002279 416558400 /nfs/dbraw/zinc/55/84/00/416558400.db2.gz NZCQIVBYCGGGJK-IBGZPJMESA-N 2 2 296.414 3.146 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123028639 416505653 /nfs/dbraw/zinc/50/56/53/416505653.db2.gz FSKPKUYFWBYOFY-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123028639 416505658 /nfs/dbraw/zinc/50/56/58/416505658.db2.gz FSKPKUYFWBYOFY-ULQDDVLXSA-N 2 2 272.436 3.253 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccsc1 ZINC000680326037 543697539 /nfs/dbraw/zinc/69/75/39/543697539.db2.gz AAUUHLJIQJQTLP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1ccsc1 ZINC000680326037 543697541 /nfs/dbraw/zinc/69/75/41/543697541.db2.gz AAUUHLJIQJQTLP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818045 543662277 /nfs/dbraw/zinc/66/22/77/543662277.db2.gz RELBQETTZWMWFD-LPHOPBHVSA-N 2 2 295.430 3.325 20 0 CGADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCc4ccccc4C3)C2)c[nH+]1 ZINC000679818045 543662278 /nfs/dbraw/zinc/66/22/78/543662278.db2.gz RELBQETTZWMWFD-LPHOPBHVSA-N 2 2 295.430 3.325 20 0 CGADLP Fc1cccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000680050040 543680467 /nfs/dbraw/zinc/68/04/67/543680467.db2.gz KRLZUVOIPUUYNZ-AWEZNQCLSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000680050040 543680468 /nfs/dbraw/zinc/68/04/68/543680468.db2.gz KRLZUVOIPUUYNZ-AWEZNQCLSA-N 2 2 291.345 3.041 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC000130737718 287362015 /nfs/dbraw/zinc/36/20/15/287362015.db2.gz JWWVPLYAEABFRK-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC000130737718 287362017 /nfs/dbraw/zinc/36/20/17/287362017.db2.gz JWWVPLYAEABFRK-ZDUSSCGKSA-N 2 2 261.344 3.105 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000681975445 543812746 /nfs/dbraw/zinc/81/27/46/543812746.db2.gz DMBZUCBLZIWYAG-SLFFLAALSA-N 2 2 298.474 3.472 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000681975445 543812749 /nfs/dbraw/zinc/81/27/49/543812749.db2.gz DMBZUCBLZIWYAG-SLFFLAALSA-N 2 2 298.474 3.472 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccsc1 ZINC000682376659 543838329 /nfs/dbraw/zinc/83/83/29/543838329.db2.gz PLBWNANJXGZTKM-MRXNPFEDSA-N 2 2 296.480 3.290 20 0 CGADLP CN(C)c1[nH+]cccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000682239798 543836388 /nfs/dbraw/zinc/83/63/88/543836388.db2.gz WRQUDBDKKYBKMS-UHFFFAOYSA-N 2 2 294.358 3.014 20 0 CGADLP CC(C)(CNc1cc[nH+]c(C(C)(C)C)n1)C[NH+]1CCCC1 ZINC000682924576 543878580 /nfs/dbraw/zinc/87/85/80/543878580.db2.gz AOASYYUNLPEYLQ-UHFFFAOYSA-N 2 2 290.455 3.308 20 0 CGADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000683705279 543933816 /nfs/dbraw/zinc/93/38/16/543933816.db2.gz PLAIYPWUTUQYRZ-YJBOKZPZSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000683705279 543933819 /nfs/dbraw/zinc/93/38/19/543933819.db2.gz PLAIYPWUTUQYRZ-YJBOKZPZSA-N 2 2 272.436 3.254 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)[C@H]3CC3(C)C)[nH+]c12 ZINC000683773187 543940604 /nfs/dbraw/zinc/94/06/04/543940604.db2.gz VFWZOCCOXBPVIN-DZGCQCFKSA-N 2 2 271.408 3.209 20 0 CGADLP Oc1cccc2c(NCc3cn4ccccc4[nH+]3)cc[nH+]c12 ZINC000684564963 544014162 /nfs/dbraw/zinc/01/41/62/544014162.db2.gz AWGFHIBNAPVCCC-UHFFFAOYSA-N 2 2 290.326 3.200 20 0 CGADLP Oc1cccc2c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000684572653 544014975 /nfs/dbraw/zinc/01/49/75/544014975.db2.gz UYRRTRAEIKLNER-GFCCVEGCSA-N 2 2 294.358 3.048 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000685629511 544090980 /nfs/dbraw/zinc/09/09/80/544090980.db2.gz WHJYSZSMSYTYRL-OAHLLOKOSA-N 2 2 269.392 3.009 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000685629511 544090982 /nfs/dbraw/zinc/09/09/82/544090982.db2.gz WHJYSZSMSYTYRL-OAHLLOKOSA-N 2 2 269.392 3.009 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000685662263 544093110 /nfs/dbraw/zinc/09/31/10/544093110.db2.gz CJTDZLMGCORZDP-PMPSAXMXSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000685662263 544093113 /nfs/dbraw/zinc/09/31/13/544093113.db2.gz CJTDZLMGCORZDP-PMPSAXMXSA-N 2 2 281.403 3.193 20 0 CGADLP CCn1c[nH+]cc1C[NH2+]Cc1oc2ccccc2c1C ZINC000417921896 227174042 /nfs/dbraw/zinc/17/40/42/227174042.db2.gz DTYZZTBNGFLGFG-UHFFFAOYSA-N 2 2 269.348 3.247 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658339271 418942861 /nfs/dbraw/zinc/94/28/61/418942861.db2.gz PTTMASKQEZOQRU-RWMBFGLXSA-N 2 2 274.399 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658339271 418942862 /nfs/dbraw/zinc/94/28/62/418942862.db2.gz PTTMASKQEZOQRU-RWMBFGLXSA-N 2 2 274.399 3.130 20 0 CGADLP CC(C)=CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000659874106 419023631 /nfs/dbraw/zinc/02/36/31/419023631.db2.gz VYZCSCXCBUBGFC-MRXNPFEDSA-N 2 2 250.430 3.293 20 0 CGADLP CC(C)=CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000659874106 419023635 /nfs/dbraw/zinc/02/36/35/419023635.db2.gz VYZCSCXCBUBGFC-MRXNPFEDSA-N 2 2 250.430 3.293 20 0 CGADLP CC(C)c1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000659838235 419005635 /nfs/dbraw/zinc/00/56/35/419005635.db2.gz LBAVRAJCPUQTLS-UHFFFAOYSA-N 2 2 260.425 3.336 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665236716 419087055 /nfs/dbraw/zinc/08/70/55/419087055.db2.gz SKKKFGVQLUYCHG-RBSFLKMASA-N 2 2 274.408 3.112 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244220 419090881 /nfs/dbraw/zinc/09/08/81/419090881.db2.gz JCHFISSZZUOCFI-HUUCEWRRSA-N 2 2 292.398 3.117 20 0 CGADLP CCSc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278122 419099900 /nfs/dbraw/zinc/09/99/00/419099900.db2.gz VOADRMADXFGLGF-VEAWUBTESA-N 2 2 276.449 3.201 20 0 CGADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H](C)C[NH2+]C)cc1OCC ZINC000665296104 419108973 /nfs/dbraw/zinc/10/89/73/419108973.db2.gz MUYBEVUNVFQYCM-DZGCQCFKSA-N 2 2 294.439 3.133 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000665296311 419108998 /nfs/dbraw/zinc/10/89/98/419108998.db2.gz QHWSHHMECDASFS-MLGOLLRUSA-N 2 2 264.388 3.255 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000665296252 419109622 /nfs/dbraw/zinc/10/96/22/419109622.db2.gz PJBOMXHVTKAKSW-RISCZKNCSA-N 2 2 252.427 3.177 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000665296651 419110227 /nfs/dbraw/zinc/11/02/27/419110227.db2.gz VXQFMUQUUPINBD-QWHCGFSZSA-N 2 2 266.454 3.446 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)oc21 ZINC000665296704 419110616 /nfs/dbraw/zinc/11/06/16/419110616.db2.gz WUQMGTKXVPTORJ-NWDGAFQWSA-N 2 2 276.380 3.090 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000665296926 419110661 /nfs/dbraw/zinc/11/06/61/419110661.db2.gz ZTWANMAAZRJPPF-GWCFXTLKSA-N 2 2 284.856 3.465 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]1 ZINC000655857386 419125012 /nfs/dbraw/zinc/12/50/12/419125012.db2.gz UDNDTSIRUZICDO-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH]1 ZINC000655857386 419125016 /nfs/dbraw/zinc/12/50/16/419125016.db2.gz UDNDTSIRUZICDO-QZTJIDSGSA-N 2 2 283.419 3.274 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847439 419118059 /nfs/dbraw/zinc/11/80/59/419118059.db2.gz BNIGEALPVHSEGG-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847439 419118063 /nfs/dbraw/zinc/11/80/63/419118063.db2.gz BNIGEALPVHSEGG-KSZLIROESA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000655849044 419120433 /nfs/dbraw/zinc/12/04/33/419120433.db2.gz LZDCQZUHASIKMU-QEJZJMRPSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000655849044 419120436 /nfs/dbraw/zinc/12/04/36/419120436.db2.gz LZDCQZUHASIKMU-QEJZJMRPSA-N 2 2 264.438 3.416 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655849804 419120611 /nfs/dbraw/zinc/12/06/11/419120611.db2.gz QJCFWYJVFBIBJE-JCGIZDLHSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655849804 419120615 /nfs/dbraw/zinc/12/06/15/419120615.db2.gz QJCFWYJVFBIBJE-JCGIZDLHSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849759 419121000 /nfs/dbraw/zinc/12/10/00/419121000.db2.gz PXABSRLAPLACFI-QXSJWSMHSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849759 419121004 /nfs/dbraw/zinc/12/10/04/419121004.db2.gz PXABSRLAPLACFI-QXSJWSMHSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)[C@@H]1CCCCO1 ZINC000655855664 419123246 /nfs/dbraw/zinc/12/32/46/419123246.db2.gz GGDWIXVCSFTGQJ-CVEARBPZSA-N 2 2 287.407 3.080 20 0 CGADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655708549 419072598 /nfs/dbraw/zinc/07/25/98/419072598.db2.gz KKARVCXJMYVQKE-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP Clc1ccc(SCC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000660577767 419164981 /nfs/dbraw/zinc/16/49/81/419164981.db2.gz IXIJKDNRUHGPEC-UHFFFAOYSA-N 2 2 293.823 3.144 20 0 CGADLP Clc1ccc(SCC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000660577767 419164984 /nfs/dbraw/zinc/16/49/84/419164984.db2.gz IXIJKDNRUHGPEC-UHFFFAOYSA-N 2 2 293.823 3.144 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CS1 ZINC000656279049 419165240 /nfs/dbraw/zinc/16/52/40/419165240.db2.gz VIKGOXYSDXIFDI-JJXSEGSLSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CS1 ZINC000656279049 419165241 /nfs/dbraw/zinc/16/52/41/419165241.db2.gz VIKGOXYSDXIFDI-JJXSEGSLSA-N 2 2 282.497 3.123 20 0 CGADLP Clc1cccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000656431567 419170278 /nfs/dbraw/zinc/17/02/78/419170278.db2.gz XHGAURCEVLUCRQ-INIZCTEOSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1cccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000656431567 419170279 /nfs/dbraw/zinc/17/02/79/419170279.db2.gz XHGAURCEVLUCRQ-INIZCTEOSA-N 2 2 289.810 3.416 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000656469109 419175604 /nfs/dbraw/zinc/17/56/04/419175604.db2.gz NAYFONOAHCHHSM-AWEZNQCLSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000656469109 419175605 /nfs/dbraw/zinc/17/56/05/419175605.db2.gz NAYFONOAHCHHSM-AWEZNQCLSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H](c1ccccn1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674797 419181519 /nfs/dbraw/zinc/18/15/19/419181519.db2.gz JPQXGULFNGMRMV-INIZCTEOSA-N 2 2 295.430 3.397 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(Cc3ccccc3)C2)c[nH+]1 ZINC000656651891 419192501 /nfs/dbraw/zinc/19/25/01/419192501.db2.gz SNRJJEMOFSAPHC-UHFFFAOYSA-N 2 2 280.415 3.497 20 0 CGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657305676 419246596 /nfs/dbraw/zinc/24/65/96/419246596.db2.gz QRWWZRFVLNMOED-QGZVFWFLSA-N 2 2 283.419 3.359 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657336695 419253834 /nfs/dbraw/zinc/25/38/34/419253834.db2.gz YFPAEQYTNDQHRM-CYBMUJFWSA-N 2 2 285.391 3.079 20 0 CGADLP C[C@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657339186 419254990 /nfs/dbraw/zinc/25/49/90/419254990.db2.gz NYDJBRIZNJJVFT-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657348485 419257056 /nfs/dbraw/zinc/25/70/56/419257056.db2.gz XQSSDELYRNEQLW-UYSNPLJNSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657348485 419257058 /nfs/dbraw/zinc/25/70/58/419257058.db2.gz XQSSDELYRNEQLW-UYSNPLJNSA-N 2 2 262.441 3.172 20 0 CGADLP c1coc([C@H]2[N@H+](CCCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661435362 419258956 /nfs/dbraw/zinc/25/89/56/419258956.db2.gz FTPGGNXEDOGEHW-MRXNPFEDSA-N 2 2 285.391 3.484 20 0 CGADLP c1coc([C@H]2[N@@H+](CCCn3cc[nH+]c3)CC23CCCC3)c1 ZINC000661435362 419258959 /nfs/dbraw/zinc/25/89/59/419258959.db2.gz FTPGGNXEDOGEHW-MRXNPFEDSA-N 2 2 285.391 3.484 20 0 CGADLP Cc1c[nH]c(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000657368170 419261614 /nfs/dbraw/zinc/26/16/14/419261614.db2.gz SYLFWIQDMOLAAT-OAHLLOKOSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675256 419198388 /nfs/dbraw/zinc/19/83/88/419198388.db2.gz BLFHEHYGGQNCQB-DOMZBBRYSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675256 419198389 /nfs/dbraw/zinc/19/83/89/419198389.db2.gz BLFHEHYGGQNCQB-DOMZBBRYSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228157 419200566 /nfs/dbraw/zinc/20/05/66/419200566.db2.gz NOCKRUSVGJTFJF-CWRNSKLLSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(F)F ZINC000666228157 419200568 /nfs/dbraw/zinc/20/05/68/419200568.db2.gz NOCKRUSVGJTFJF-CWRNSKLLSA-N 2 2 294.389 3.284 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000660932038 419214298 /nfs/dbraw/zinc/21/42/98/419214298.db2.gz XIQRTZVGYRKHPE-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000660932038 419214299 /nfs/dbraw/zinc/21/42/99/419214299.db2.gz XIQRTZVGYRKHPE-RDJZCZTQSA-N 2 2 267.376 3.247 20 0 CGADLP COC1CC[NH+](CC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657391759 419268015 /nfs/dbraw/zinc/26/80/15/419268015.db2.gz ZCRWAUSMYRXNCO-UHFFFAOYSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785471 419219378 /nfs/dbraw/zinc/21/93/78/419219378.db2.gz PIEVSXNMSVERPP-BEFAXECRSA-N 2 2 295.430 3.194 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000656785471 419219381 /nfs/dbraw/zinc/21/93/81/419219381.db2.gz PIEVSXNMSVERPP-BEFAXECRSA-N 2 2 295.430 3.194 20 0 CGADLP CSc1cc(C)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657393164 419268187 /nfs/dbraw/zinc/26/81/87/419268187.db2.gz OAQKRDGKUDFUBA-UHFFFAOYSA-N 2 2 287.432 3.149 20 0 CGADLP c1c2ccncc2sc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000657391399 419268324 /nfs/dbraw/zinc/26/83/24/419268324.db2.gz SMARQQKGSFLDTQ-UHFFFAOYSA-N 2 2 298.415 3.283 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438600 419278812 /nfs/dbraw/zinc/27/88/12/419278812.db2.gz ZXDXVCHILSXYAU-UHFFFAOYSA-N 2 2 295.386 3.216 20 0 CGADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(F)cc1Cl ZINC000657452301 419282457 /nfs/dbraw/zinc/28/24/57/419282457.db2.gz ITFNNEKBGWTRLJ-UHFFFAOYSA-N 2 2 297.736 3.051 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCC(C3CCC3)CC1)C2 ZINC000657469950 419285848 /nfs/dbraw/zinc/28/58/48/419285848.db2.gz KSCSLZDTJGSWKQ-YMAMQOFZSA-N 2 2 273.424 3.216 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCC(C3CCC3)CC1)CC2 ZINC000657469950 419285850 /nfs/dbraw/zinc/28/58/50/419285850.db2.gz KSCSLZDTJGSWKQ-YMAMQOFZSA-N 2 2 273.424 3.216 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657497475 419294578 /nfs/dbraw/zinc/29/45/78/419294578.db2.gz YAZOUBFOFUFWKK-KBPBESRZSA-N 2 2 261.413 3.134 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1F ZINC000657503999 419295788 /nfs/dbraw/zinc/29/57/88/419295788.db2.gz CJORAFLUPVZRKI-OAHLLOKOSA-N 2 2 261.344 3.109 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000657525856 419297020 /nfs/dbraw/zinc/29/70/20/419297020.db2.gz XTHDMOGEHOJLSS-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000657525856 419297022 /nfs/dbraw/zinc/29/70/22/419297022.db2.gz XTHDMOGEHOJLSS-CYBMUJFWSA-N 2 2 298.377 3.250 20 0 CGADLP Clc1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657524353 419297401 /nfs/dbraw/zinc/29/74/01/419297401.db2.gz NYXKALCUFXOEEG-UHFFFAOYSA-N 2 2 296.201 3.426 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000657523197 419297483 /nfs/dbraw/zinc/29/74/83/419297483.db2.gz FJDBGGAMAJQPTC-AWEZNQCLSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000657523197 419297487 /nfs/dbraw/zinc/29/74/87/419297487.db2.gz FJDBGGAMAJQPTC-AWEZNQCLSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)cc21 ZINC000657527883 419298276 /nfs/dbraw/zinc/29/82/76/419298276.db2.gz ZINZQQUKOWKUNU-HNNXBMFYSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)cc21 ZINC000657527883 419298278 /nfs/dbraw/zinc/29/82/78/419298278.db2.gz ZINZQQUKOWKUNU-HNNXBMFYSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CCC(C(C)C)CC2)n1C ZINC000657403106 419270936 /nfs/dbraw/zinc/27/09/36/419270936.db2.gz QOYKIWJJDYHJIO-UHFFFAOYSA-N 2 2 263.429 3.281 20 0 CGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000418089538 228025373 /nfs/dbraw/zinc/02/53/73/228025373.db2.gz BKECVNARJLYGQL-KRWDZBQOSA-N 2 2 287.407 3.023 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657653117 419319573 /nfs/dbraw/zinc/31/95/73/419319573.db2.gz IBYCAWYEMHEIEI-CRAIPNDOSA-N 2 2 284.403 3.247 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657653117 419319575 /nfs/dbraw/zinc/31/95/75/419319575.db2.gz IBYCAWYEMHEIEI-CRAIPNDOSA-N 2 2 284.403 3.247 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)c2)c[nH+]1 ZINC000657657854 419320777 /nfs/dbraw/zinc/32/07/77/419320777.db2.gz UKOLFIYXRIBOIB-WWGRRREGSA-N 2 2 287.432 3.460 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000657664476 419322220 /nfs/dbraw/zinc/32/22/20/419322220.db2.gz KRCLXIATWWOURF-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000657664476 419322222 /nfs/dbraw/zinc/32/22/22/419322222.db2.gz KRCLXIATWWOURF-VNQPRFMTSA-N 2 2 294.389 3.284 20 0 CGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000657768158 419340740 /nfs/dbraw/zinc/34/07/40/419340740.db2.gz WQCYXZVOKXMJII-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@@H+]1C1CC1 ZINC000657717341 419332646 /nfs/dbraw/zinc/33/26/46/419332646.db2.gz PKSPLIYEPLDAJG-KLNSDEMFSA-N 2 2 284.394 3.169 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@H+]1C1CC1 ZINC000657717341 419332649 /nfs/dbraw/zinc/33/26/49/419332649.db2.gz PKSPLIYEPLDAJG-KLNSDEMFSA-N 2 2 284.394 3.169 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000657859723 419392913 /nfs/dbraw/zinc/39/29/13/419392913.db2.gz XGSKZDAOKWNKKK-RDJZCZTQSA-N 2 2 290.451 3.145 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657822062 419371569 /nfs/dbraw/zinc/37/15/69/419371569.db2.gz VRQLDEWSVYWYPF-OAHLLOKOSA-N 2 2 277.799 3.147 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662274702 419383046 /nfs/dbraw/zinc/38/30/46/419383046.db2.gz KRYZSAOAKSPFEI-MGPQQGTHSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662274702 419383050 /nfs/dbraw/zinc/38/30/50/419383050.db2.gz KRYZSAOAKSPFEI-MGPQQGTHSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662285228 419384253 /nfs/dbraw/zinc/38/42/53/419384253.db2.gz HWRAPEYAIBWHHY-DOMZBBRYSA-N 2 2 282.378 3.226 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662285228 419384258 /nfs/dbraw/zinc/38/42/58/419384258.db2.gz HWRAPEYAIBWHHY-DOMZBBRYSA-N 2 2 282.378 3.226 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)F)nc1 ZINC000657844408 419385358 /nfs/dbraw/zinc/38/53/58/419385358.db2.gz MIGKPQKGKWGBDL-GFCCVEGCSA-N 2 2 294.349 3.347 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H]2CCC[C@@H]21 ZINC000658006122 419488684 /nfs/dbraw/zinc/48/86/84/419488684.db2.gz FORZCEHMRBQDOH-IJEWVQPXSA-N 2 2 273.424 3.134 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055115 419524394 /nfs/dbraw/zinc/52/43/94/419524394.db2.gz LYQUFASOISIRRC-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055115 419524401 /nfs/dbraw/zinc/52/44/01/419524401.db2.gz LYQUFASOISIRRC-ZBFHGGJFSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000658058162 419529857 /nfs/dbraw/zinc/52/98/57/419529857.db2.gz DIQUYSAGGBQORX-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000658058162 419529864 /nfs/dbraw/zinc/52/98/64/419529864.db2.gz DIQUYSAGGBQORX-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091878 419565995 /nfs/dbraw/zinc/56/59/95/419565995.db2.gz NPAXWRNZUWMDET-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091878 419566002 /nfs/dbraw/zinc/56/60/02/419566002.db2.gz NPAXWRNZUWMDET-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094104 419570579 /nfs/dbraw/zinc/57/05/79/419570579.db2.gz XNJJJYYBLWILMU-WBVHZDCISA-N 2 2 274.452 3.470 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094104 419570581 /nfs/dbraw/zinc/57/05/81/419570581.db2.gz XNJJJYYBLWILMU-WBVHZDCISA-N 2 2 274.452 3.470 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000658094817 419570700 /nfs/dbraw/zinc/57/07/00/419570700.db2.gz BAHXYHICMGGABJ-MWDXBVQZSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000658094817 419570703 /nfs/dbraw/zinc/57/07/03/419570703.db2.gz BAHXYHICMGGABJ-MWDXBVQZSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000658095320 419573848 /nfs/dbraw/zinc/57/38/48/419573848.db2.gz GOIPJEPMWRUCTB-KKUMJFAQSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000658095320 419573853 /nfs/dbraw/zinc/57/38/53/419573853.db2.gz GOIPJEPMWRUCTB-KKUMJFAQSA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095297 419574101 /nfs/dbraw/zinc/57/41/01/419574101.db2.gz GCCIRCSCKCZQHR-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095297 419574104 /nfs/dbraw/zinc/57/41/04/419574104.db2.gz GCCIRCSCKCZQHR-HUUCEWRRSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096045 419574337 /nfs/dbraw/zinc/57/43/37/419574337.db2.gz NGOLVPLFYOQYPF-RDJZCZTQSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096045 419574347 /nfs/dbraw/zinc/57/43/47/419574347.db2.gz NGOLVPLFYOQYPF-RDJZCZTQSA-N 2 2 289.467 3.255 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663659766 419664206 /nfs/dbraw/zinc/66/42/06/419664206.db2.gz FNWRIGPHMFJQQC-JQWIXIFHSA-N 2 2 287.329 3.303 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000663659766 419664215 /nfs/dbraw/zinc/66/42/15/419664215.db2.gz FNWRIGPHMFJQQC-JQWIXIFHSA-N 2 2 287.329 3.303 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)C1 ZINC000658286196 419735514 /nfs/dbraw/zinc/73/55/14/419735514.db2.gz QCGMRQCLUXITPH-LAVFITLUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)C1 ZINC000658286196 419735520 /nfs/dbraw/zinc/73/55/20/419735520.db2.gz QCGMRQCLUXITPH-LAVFITLUSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000658288248 419738718 /nfs/dbraw/zinc/73/87/18/419738718.db2.gz ROQVZJKJAMIHIC-ZOBUZTSGSA-N 2 2 260.425 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000658288248 419738727 /nfs/dbraw/zinc/73/87/27/419738727.db2.gz ROQVZJKJAMIHIC-ZOBUZTSGSA-N 2 2 260.425 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287263 419739880 /nfs/dbraw/zinc/73/98/80/419739880.db2.gz XZZJNXLORFADFW-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000658287263 419739881 /nfs/dbraw/zinc/73/98/81/419739881.db2.gz XZZJNXLORFADFW-OCCSQVGLSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292164 419740751 /nfs/dbraw/zinc/74/07/51/419740751.db2.gz PBLGOGNXFPSFEK-ZOBUZTSGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000223064566 260263001 /nfs/dbraw/zinc/26/30/01/260263001.db2.gz KVWZCHKFILDFCF-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000223064566 260263002 /nfs/dbraw/zinc/26/30/02/260263002.db2.gz KVWZCHKFILDFCF-HUUCEWRRSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(C)c2C)n1C ZINC000521069861 260389039 /nfs/dbraw/zinc/38/90/39/260389039.db2.gz VYOZRNKVSFNZHB-ZDUSSCGKSA-N 2 2 257.381 3.196 20 0 CGADLP CO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000318547957 261242795 /nfs/dbraw/zinc/24/27/95/261242795.db2.gz KHARPHTWPCLZJW-DLBZAZTESA-N 2 2 299.418 3.084 20 0 CGADLP CC[NH+](CC)CCCSc1[nH+]cc2ccccn21 ZINC000188256061 262287011 /nfs/dbraw/zinc/28/70/11/262287011.db2.gz JVUJHTORAMVKPC-UHFFFAOYSA-N 2 2 263.410 3.158 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000188459834 262297818 /nfs/dbraw/zinc/29/78/18/262297818.db2.gz XTMDNQYFYQBPJM-RDJZCZTQSA-N 2 2 258.409 3.063 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000221982888 264513721 /nfs/dbraw/zinc/51/37/21/264513721.db2.gz IFZBNIWWPSPSOW-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cs1 ZINC000449298334 533686560 /nfs/dbraw/zinc/68/65/60/533686560.db2.gz JIQRYXUHIOBEJP-UHFFFAOYSA-N 2 2 264.438 3.163 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045094637 270038058 /nfs/dbraw/zinc/03/80/58/270038058.db2.gz UXECIUPTWSRTHJ-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP Cc1c[nH+]ccc1NCCCCNc1cccc[nH+]1 ZINC000191980285 270076866 /nfs/dbraw/zinc/07/68/66/270076866.db2.gz SRVZATAKIMBXHW-UHFFFAOYSA-N 2 2 256.353 3.089 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702913 270086026 /nfs/dbraw/zinc/08/60/26/270086026.db2.gz KVKWTCDVDVZNCX-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702913 270086027 /nfs/dbraw/zinc/08/60/27/270086027.db2.gz KVKWTCDVDVZNCX-RDTXWAMCSA-N 2 2 272.436 3.310 20 0 CGADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000321228715 270093394 /nfs/dbraw/zinc/09/33/94/270093394.db2.gz LJNDFTCZSVKOER-KDOFPFPSSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000321228715 270093395 /nfs/dbraw/zinc/09/33/95/270093395.db2.gz LJNDFTCZSVKOER-KDOFPFPSSA-N 2 2 284.403 3.341 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328201446 270095239 /nfs/dbraw/zinc/09/52/39/270095239.db2.gz SWYVRTJLLOQECA-MRXNPFEDSA-N 2 2 264.457 3.421 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)co2)cc1 ZINC000521225575 270101294 /nfs/dbraw/zinc/10/12/94/270101294.db2.gz CYUPRLOBTOESDS-RHSMWYFYSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@H](C[NH2+]CC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000527366446 270127615 /nfs/dbraw/zinc/12/76/15/270127615.db2.gz YSODXASJRDTHMX-OAHLLOKOSA-N 2 2 278.415 3.395 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527361201 270127775 /nfs/dbraw/zinc/12/77/75/270127775.db2.gz WJONOQLQWVLXMZ-RHSMWYFYSA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527361201 270127776 /nfs/dbraw/zinc/12/77/76/270127776.db2.gz WJONOQLQWVLXMZ-RHSMWYFYSA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527361200 270127810 /nfs/dbraw/zinc/12/78/10/270127810.db2.gz WJONOQLQWVLXMZ-PBHICJAKSA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527361200 270127811 /nfs/dbraw/zinc/12/78/11/270127811.db2.gz WJONOQLQWVLXMZ-PBHICJAKSA-N 2 2 278.415 3.393 20 0 CGADLP Clc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810566 270137679 /nfs/dbraw/zinc/13/76/79/270137679.db2.gz RQBNEQBHKFVMRL-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810566 270137680 /nfs/dbraw/zinc/13/76/80/270137680.db2.gz RQBNEQBHKFVMRL-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527807671 270137761 /nfs/dbraw/zinc/13/77/61/270137761.db2.gz HRBVMSIIKBLUEA-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527807671 270137762 /nfs/dbraw/zinc/13/77/62/270137762.db2.gz HRBVMSIIKBLUEA-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP c1c(CCNc2[nH+]ccc3ccccc32)[nH+]c2n1CCCC2 ZINC000527841490 270138933 /nfs/dbraw/zinc/13/89/33/270138933.db2.gz YULMESJGCOBCJG-UHFFFAOYSA-N 2 2 292.386 3.422 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000527896041 270142810 /nfs/dbraw/zinc/14/28/10/270142810.db2.gz BOKMLMCRWHTTII-HOTGVXAUSA-N 2 2 283.419 3.268 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000527896041 270142811 /nfs/dbraw/zinc/14/28/11/270142811.db2.gz BOKMLMCRWHTTII-HOTGVXAUSA-N 2 2 283.419 3.268 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)[C@H]1C ZINC000527952469 270146436 /nfs/dbraw/zinc/14/64/36/270146436.db2.gz TWQVJFOPDONZQC-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)[C@H]1C ZINC000527952469 270146437 /nfs/dbraw/zinc/14/64/37/270146437.db2.gz TWQVJFOPDONZQC-CLWVCHIJSA-N 2 2 250.430 3.028 20 0 CGADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000527975353 270148074 /nfs/dbraw/zinc/14/80/74/270148074.db2.gz VRLXAJHVAVXHCF-XYPHTWIQSA-N 2 2 285.391 3.090 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)ccn1 ZINC000527987870 270148897 /nfs/dbraw/zinc/14/88/97/270148897.db2.gz VVXRKHSAUSKQOU-KRWDZBQOSA-N 2 2 299.462 3.382 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002824 270150013 /nfs/dbraw/zinc/15/00/13/270150013.db2.gz QYGOXESJVDNJQE-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002824 270150014 /nfs/dbraw/zinc/15/00/14/270150014.db2.gz QYGOXESJVDNJQE-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528012136 270151261 /nfs/dbraw/zinc/15/12/61/270151261.db2.gz OCVUHFZGLDGPKL-GDBMZVCRSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528012136 270151262 /nfs/dbraw/zinc/15/12/62/270151262.db2.gz OCVUHFZGLDGPKL-GDBMZVCRSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015452 270151382 /nfs/dbraw/zinc/15/13/82/270151382.db2.gz XNLPBLBZKFXJTH-BBRMVZONSA-N 2 2 274.408 3.060 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(O)c1 ZINC000528015452 270151383 /nfs/dbraw/zinc/15/13/83/270151383.db2.gz XNLPBLBZKFXJTH-BBRMVZONSA-N 2 2 274.408 3.060 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015064 270151391 /nfs/dbraw/zinc/15/13/91/270151391.db2.gz WYMFBZPRXUXUBE-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015064 270151392 /nfs/dbraw/zinc/15/13/92/270151392.db2.gz WYMFBZPRXUXUBE-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015774 270151552 /nfs/dbraw/zinc/15/15/52/270151552.db2.gz YPCPDVYYFPICBZ-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015774 270151553 /nfs/dbraw/zinc/15/15/53/270151553.db2.gz YPCPDVYYFPICBZ-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217869 270196076 /nfs/dbraw/zinc/19/60/76/270196076.db2.gz HUQIFHOEQYYIFR-BXUZGUMPSA-N 2 2 264.800 3.275 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530219314 270196201 /nfs/dbraw/zinc/19/62/01/270196201.db2.gz LHHNQSAHFACIGQ-XOKHGSTOSA-N 2 2 270.420 3.499 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530222800 270196441 /nfs/dbraw/zinc/19/64/41/270196441.db2.gz RVFFPVXTUREHEE-HOCLYGCPSA-N 2 2 258.409 3.239 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000531955032 270211156 /nfs/dbraw/zinc/21/11/56/270211156.db2.gz RBKSXIONOCVIHP-UGQVUOCMSA-N 2 2 276.424 3.223 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H](C)C1 ZINC000531955032 270211157 /nfs/dbraw/zinc/21/11/57/270211157.db2.gz RBKSXIONOCVIHP-UGQVUOCMSA-N 2 2 276.424 3.223 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296138 270215013 /nfs/dbraw/zinc/21/50/13/270215013.db2.gz JMPNFCSYCPGKDX-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000532296138 270215014 /nfs/dbraw/zinc/21/50/14/270215014.db2.gz JMPNFCSYCPGKDX-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532530290 270216947 /nfs/dbraw/zinc/21/69/47/270216947.db2.gz WEMKXCUIXCNCKK-HUUCEWRRSA-N 2 2 260.425 3.241 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532530290 270216948 /nfs/dbraw/zinc/21/69/48/270216948.db2.gz WEMKXCUIXCNCKK-HUUCEWRRSA-N 2 2 260.425 3.241 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCC2 ZINC000533166821 270221802 /nfs/dbraw/zinc/22/18/02/270221802.db2.gz DVBAICQOZRNVSA-QAPCUYQASA-N 2 2 272.436 3.304 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCC2 ZINC000533166821 270221803 /nfs/dbraw/zinc/22/18/03/270221803.db2.gz DVBAICQOZRNVSA-QAPCUYQASA-N 2 2 272.436 3.304 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)c2sccc21 ZINC000423368599 274319247 /nfs/dbraw/zinc/31/92/47/274319247.db2.gz SBZYHNSTPHDCMX-RFHZTLPTSA-N 2 2 264.438 3.274 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccco1 ZINC000267271928 274355221 /nfs/dbraw/zinc/35/52/21/274355221.db2.gz MPONWTSQCVFKPX-CRAIPNDOSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccco1 ZINC000267271928 274355223 /nfs/dbraw/zinc/35/52/23/274355223.db2.gz MPONWTSQCVFKPX-CRAIPNDOSA-N 2 2 284.403 3.280 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1CCSCC1)CCC2 ZINC000354482823 274824443 /nfs/dbraw/zinc/82/44/43/274824443.db2.gz UMMHHSMCVDGAMR-HIFRSBDPSA-N 2 2 293.480 3.190 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427872010 274882117 /nfs/dbraw/zinc/88/21/17/274882117.db2.gz LOYPDEFIAMYOFT-ZFWWWQNUSA-N 2 2 287.794 3.128 20 0 CGADLP Fc1ccc2cc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC000334993154 274913909 /nfs/dbraw/zinc/91/39/09/274913909.db2.gz RXQAWQOKQIMQDJ-QGZVFWFLSA-N 2 2 299.393 3.342 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423543924 275070873 /nfs/dbraw/zinc/07/08/73/275070873.db2.gz CMAZLAQJYJHOLY-DYVFJYSZSA-N 2 2 283.419 3.277 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233510 275688105 /nfs/dbraw/zinc/68/81/05/275688105.db2.gz JZFRZGLJURTBKO-COXVUDFISA-N 2 2 258.409 3.213 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294046939 276110599 /nfs/dbraw/zinc/11/05/99/276110599.db2.gz JBVQJAMAQMDNFA-MRXNPFEDSA-N 2 2 284.407 3.282 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300079250 276174131 /nfs/dbraw/zinc/17/41/31/276174131.db2.gz RXECRXCUXIUTPX-CWRNSKLLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300079250 276174132 /nfs/dbraw/zinc/17/41/32/276174132.db2.gz RXECRXCUXIUTPX-CWRNSKLLSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000252573767 276188146 /nfs/dbraw/zinc/18/81/46/276188146.db2.gz FILIFNKWUJQPLS-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000252573767 276188147 /nfs/dbraw/zinc/18/81/47/276188147.db2.gz FILIFNKWUJQPLS-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000346497002 276213097 /nfs/dbraw/zinc/21/30/97/276213097.db2.gz WWBCONQULUSUBY-XIRDDKMYSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000414351435 276217536 /nfs/dbraw/zinc/21/75/36/276217536.db2.gz VTVFMMVUFYIGEQ-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000414351435 276217537 /nfs/dbraw/zinc/21/75/37/276217537.db2.gz VTVFMMVUFYIGEQ-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000353970151 276260656 /nfs/dbraw/zinc/26/06/56/276260656.db2.gz CDFOENPVLCVJPD-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000353970151 276260657 /nfs/dbraw/zinc/26/06/57/276260657.db2.gz CDFOENPVLCVJPD-QAPCUYQASA-N 2 2 287.451 3.397 20 0 CGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000259761306 287887326 /nfs/dbraw/zinc/88/73/26/287887326.db2.gz XGKBKEGJLIVSCN-QGZVFWFLSA-N 2 2 262.441 3.486 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128040 276373469 /nfs/dbraw/zinc/37/34/69/276373469.db2.gz WGSVVGLTKNBNCA-YNEHKIRRSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128040 276373470 /nfs/dbraw/zinc/37/34/70/276373470.db2.gz WGSVVGLTKNBNCA-YNEHKIRRSA-N 2 2 278.362 3.181 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000453071090 276718118 /nfs/dbraw/zinc/71/81/18/276718118.db2.gz WSBXNXUMXPCHFY-HOCLYGCPSA-N 2 2 292.471 3.064 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(F)cccc2C1 ZINC000339776942 277044657 /nfs/dbraw/zinc/04/46/57/277044657.db2.gz KWOQOENHSWFIAZ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(F)cccc2C1 ZINC000339776942 277044659 /nfs/dbraw/zinc/04/46/59/277044659.db2.gz KWOQOENHSWFIAZ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000339776942 277044660 /nfs/dbraw/zinc/04/46/60/277044660.db2.gz KWOQOENHSWFIAZ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2c(F)cccc2C1 ZINC000339776942 277044661 /nfs/dbraw/zinc/04/46/61/277044661.db2.gz KWOQOENHSWFIAZ-OAHLLOKOSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2cc(F)ccc2C1 ZINC000351920747 277044914 /nfs/dbraw/zinc/04/49/14/277044914.db2.gz GBGLFDNZJZWMEF-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2cc(F)ccc2C1 ZINC000351920747 277044915 /nfs/dbraw/zinc/04/49/15/277044915.db2.gz GBGLFDNZJZWMEF-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000351920747 277044916 /nfs/dbraw/zinc/04/49/16/277044916.db2.gz GBGLFDNZJZWMEF-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000351920747 277044917 /nfs/dbraw/zinc/04/49/17/277044917.db2.gz GBGLFDNZJZWMEF-QGZVFWFLSA-N 2 2 276.399 3.058 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422908988 277732274 /nfs/dbraw/zinc/73/22/74/277732274.db2.gz DZXMFMJQOVWRCX-RKLWJJNISA-N 2 2 296.842 3.146 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397796446 288030962 /nfs/dbraw/zinc/03/09/62/288030962.db2.gz GHYBTNKYZISORM-OAHLLOKOSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1CC1(C)C ZINC000397818187 288031673 /nfs/dbraw/zinc/03/16/73/288031673.db2.gz UUJQGPJNMXQGBU-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1CC1(C)C ZINC000397818187 288031675 /nfs/dbraw/zinc/03/16/75/288031675.db2.gz UUJQGPJNMXQGBU-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000481957606 288048246 /nfs/dbraw/zinc/04/82/46/288048246.db2.gz GMYOVJIZXVRMOU-FGTMMUONSA-N 2 2 290.451 3.002 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000414109693 288073463 /nfs/dbraw/zinc/07/34/63/288073463.db2.gz LCQRZMHPSYZUJH-GBOPCIDUSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000414109693 288073465 /nfs/dbraw/zinc/07/34/65/288073465.db2.gz LCQRZMHPSYZUJH-GBOPCIDUSA-N 2 2 250.430 3.026 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccc1Br ZINC000423439227 288079398 /nfs/dbraw/zinc/07/93/98/288079398.db2.gz HTBRODPPUXFAGX-CWSCBRNRSA-N 2 2 285.229 3.226 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCC2 ZINC000423556907 278885149 /nfs/dbraw/zinc/88/51/49/278885149.db2.gz NAFCEVDLHUTVNL-WBVHZDCISA-N 2 2 258.409 3.104 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467200 279037826 /nfs/dbraw/zinc/03/78/26/279037826.db2.gz ZKKLGBZLTQZLEQ-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467200 279037827 /nfs/dbraw/zinc/03/78/27/279037827.db2.gz ZKKLGBZLTQZLEQ-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467200 279037828 /nfs/dbraw/zinc/03/78/28/279037828.db2.gz ZKKLGBZLTQZLEQ-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245467200 279037829 /nfs/dbraw/zinc/03/78/29/279037829.db2.gz ZKKLGBZLTQZLEQ-OLZOCXBDSA-N 2 2 282.378 3.299 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000414742745 279179030 /nfs/dbraw/zinc/17/90/30/279179030.db2.gz NVKDGGLDRJXBKZ-CGZBRXJRSA-N 2 2 296.499 3.420 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422884047 279730144 /nfs/dbraw/zinc/73/01/44/279730144.db2.gz RLOASKLGLVUWDK-KEYYUXOJSA-N 2 2 276.424 3.265 20 0 CGADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000480617644 280033810 /nfs/dbraw/zinc/03/38/10/280033810.db2.gz ZBCMZGTUAFEATF-MAUKXSAKSA-N 2 2 272.436 3.241 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527723594 288192850 /nfs/dbraw/zinc/19/28/50/288192850.db2.gz ARYMEURRAATEFB-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527723594 288192852 /nfs/dbraw/zinc/19/28/52/288192852.db2.gz ARYMEURRAATEFB-HNNXBMFYSA-N 2 2 271.408 3.130 20 0 CGADLP C[C@H]1c2ccccc2C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000361089736 280128676 /nfs/dbraw/zinc/12/86/76/280128676.db2.gz XTSYYKSFVVZVJI-GOEBONIOSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000361089736 280128678 /nfs/dbraw/zinc/12/86/78/280128678.db2.gz XTSYYKSFVVZVJI-GOEBONIOSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000361089736 280128682 /nfs/dbraw/zinc/12/86/82/280128682.db2.gz XTSYYKSFVVZVJI-GOEBONIOSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@H]1c2ccccc2C[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000361089736 280128683 /nfs/dbraw/zinc/12/86/83/280128683.db2.gz XTSYYKSFVVZVJI-GOEBONIOSA-N 2 2 258.409 3.438 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423276243 280196878 /nfs/dbraw/zinc/19/68/78/280196878.db2.gz MVRGMQMQKMHCJF-CHWSQXEVSA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000491050545 280266197 /nfs/dbraw/zinc/26/61/97/280266197.db2.gz HXSYMJTVIYAZFY-LQKXBSAESA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491050545 280266198 /nfs/dbraw/zinc/26/61/98/280266198.db2.gz HXSYMJTVIYAZFY-LQKXBSAESA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000361824285 280290772 /nfs/dbraw/zinc/29/07/72/280290772.db2.gz BPCAPPPWIXGOMQ-HUUCEWRRSA-N 2 2 269.392 3.269 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ncccc1F ZINC000529687034 288272585 /nfs/dbraw/zinc/27/25/85/288272585.db2.gz CRHCHGARDZYMIM-ZDUSSCGKSA-N 2 2 273.355 3.208 20 0 CGADLP Clc1ccc2[nH+]c(Cn3cc[nH+]c3C3CC3)cn2c1 ZINC000530131539 288289499 /nfs/dbraw/zinc/28/94/99/288289499.db2.gz NRTFRMIBEMWXFV-UHFFFAOYSA-N 2 2 272.739 3.110 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177301 288294758 /nfs/dbraw/zinc/29/47/58/288294758.db2.gz FNEHXPLXCDFROI-QGZVFWFLSA-N 2 2 288.435 3.240 20 0 CGADLP Cc1cccc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)[nH+]1 ZINC000354880864 281226680 /nfs/dbraw/zinc/22/66/80/281226680.db2.gz OUMOHBXTHRGLSH-OWCLPIDISA-N 2 2 273.424 3.232 20 0 CGADLP Cc1cccc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)[nH+]1 ZINC000354880864 281226682 /nfs/dbraw/zinc/22/66/82/281226682.db2.gz OUMOHBXTHRGLSH-OWCLPIDISA-N 2 2 273.424 3.232 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H]2CCSC2)[nH+]1 ZINC000375737070 281246660 /nfs/dbraw/zinc/24/66/60/281246660.db2.gz WCNZLKHTWJCVPO-LSDHHAIUSA-N 2 2 291.464 3.019 20 0 CGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H]2CCSC2)[nH+]1 ZINC000375737070 281246664 /nfs/dbraw/zinc/24/66/64/281246664.db2.gz WCNZLKHTWJCVPO-LSDHHAIUSA-N 2 2 291.464 3.019 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000427854586 281319641 /nfs/dbraw/zinc/31/96/41/281319641.db2.gz QRKLESKQYMIFEE-XJKSGUPXSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000531707990 288341695 /nfs/dbraw/zinc/34/16/95/288341695.db2.gz UWACDWJLCHNEHN-FHLIZLRMSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000531707990 288341698 /nfs/dbraw/zinc/34/16/98/288341698.db2.gz UWACDWJLCHNEHN-FHLIZLRMSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532239585 288357144 /nfs/dbraw/zinc/35/71/44/288357144.db2.gz DYMYCGRRMUZLNZ-HOCLYGCPSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532239585 288357145 /nfs/dbraw/zinc/35/71/45/288357145.db2.gz DYMYCGRRMUZLNZ-HOCLYGCPSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239571 288357461 /nfs/dbraw/zinc/35/74/61/288357461.db2.gz DYMYCGRRMUZLNZ-GDBMZVCRSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239571 288357463 /nfs/dbraw/zinc/35/74/63/288357463.db2.gz DYMYCGRRMUZLNZ-GDBMZVCRSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000532239698 288357758 /nfs/dbraw/zinc/35/77/58/288357758.db2.gz KRDSXPQVYUIMDK-HIFRSBDPSA-N 2 2 276.449 3.155 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000532239698 288357760 /nfs/dbraw/zinc/35/77/60/288357760.db2.gz KRDSXPQVYUIMDK-HIFRSBDPSA-N 2 2 276.449 3.155 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000532540718 288366375 /nfs/dbraw/zinc/36/63/75/288366375.db2.gz VONSLIPIYBEVKI-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000532540718 288366378 /nfs/dbraw/zinc/36/63/78/288366378.db2.gz VONSLIPIYBEVKI-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414688747 282029044 /nfs/dbraw/zinc/02/90/44/282029044.db2.gz DTEBCALGNZAXGQ-JSGCOSHPSA-N 2 2 281.469 3.134 20 0 CGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)CCC2 ZINC000414688747 282029045 /nfs/dbraw/zinc/02/90/45/282029045.db2.gz DTEBCALGNZAXGQ-JSGCOSHPSA-N 2 2 281.469 3.134 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867726 288396391 /nfs/dbraw/zinc/39/63/91/288396391.db2.gz WLJWEVIXDGEZPN-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867726 288396392 /nfs/dbraw/zinc/39/63/92/288396392.db2.gz WLJWEVIXDGEZPN-NEPJUHHUSA-N 2 2 291.345 3.249 20 0 CGADLP CCc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000533921731 288397722 /nfs/dbraw/zinc/39/77/22/288397722.db2.gz YWSANGDTJUPRHQ-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000543078891 288782332 /nfs/dbraw/zinc/78/23/32/288782332.db2.gz DKDMOODZSLQDAF-ZDUSSCGKSA-N 2 2 275.421 3.213 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)[NH+](C)C ZINC000451160728 292689081 /nfs/dbraw/zinc/68/90/81/292689081.db2.gz HYKULLUXZLUELD-SQDXWYPISA-N 2 2 290.451 3.142 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC[N@@H+]1C ZINC000346784444 289060790 /nfs/dbraw/zinc/06/07/90/289060790.db2.gz BMBXUPWIDNDUOA-BPLDGKMQSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC[N@H+]1C ZINC000346784444 289060792 /nfs/dbraw/zinc/06/07/92/289060792.db2.gz BMBXUPWIDNDUOA-BPLDGKMQSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1c(Cl)cccc1Cl)C1CC1 ZINC000430571663 289108204 /nfs/dbraw/zinc/10/82/04/289108204.db2.gz OSCAGDHFGYODGM-ZDUSSCGKSA-N 2 2 273.207 3.210 20 0 CGADLP CCC1CC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000551516011 289118866 /nfs/dbraw/zinc/11/88/66/289118866.db2.gz KNYIUNIFNMUTPG-RKHAHWSXSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000552224226 289173275 /nfs/dbraw/zinc/17/32/75/289173275.db2.gz OJBZUKARWRPYNT-HOTGVXAUSA-N 2 2 273.424 3.075 20 0 CGADLP CC[N@H+](C)CC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000555094406 289327717 /nfs/dbraw/zinc/32/77/17/289327717.db2.gz MMQSRAHIFMEDHG-UHFFFAOYSA-N 2 2 262.441 3.068 20 0 CGADLP CC[N@@H+](C)CC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000555094406 289327718 /nfs/dbraw/zinc/32/77/18/289327718.db2.gz MMQSRAHIFMEDHG-UHFFFAOYSA-N 2 2 262.441 3.068 20 0 CGADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000558254546 289482288 /nfs/dbraw/zinc/48/22/88/289482288.db2.gz HYQVIHSWZWGMNR-MRXNPFEDSA-N 2 2 282.859 3.448 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000558252873 289482298 /nfs/dbraw/zinc/48/22/98/289482298.db2.gz AGTXVQODZJFOBL-XQQFMLRXSA-N 2 2 268.832 3.372 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000560263059 289580814 /nfs/dbraw/zinc/58/08/14/289580814.db2.gz VUZSPELTJBOFTM-DZOHQFGASA-N 2 2 288.435 3.076 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251792779 290212939 /nfs/dbraw/zinc/21/29/39/290212939.db2.gz WIFSAGJLAPTLGQ-TUAOUCFPSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251792779 290212944 /nfs/dbraw/zinc/21/29/44/290212944.db2.gz WIFSAGJLAPTLGQ-TUAOUCFPSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCC[NH2+]C1 ZINC000423349088 297900079 /nfs/dbraw/zinc/90/00/79/297900079.db2.gz VAWQXUZLRCYIIG-RBUKOAKNSA-N 2 2 295.430 3.150 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[NH+]1CCC(C)CC1 ZINC000355744146 298790322 /nfs/dbraw/zinc/79/03/22/298790322.db2.gz YAMZETIGIHTKMO-CABCVRRESA-N 2 2 282.472 3.043 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000423214439 302137546 /nfs/dbraw/zinc/13/75/46/302137546.db2.gz MNRDBOQSKKQTNX-RDJZCZTQSA-N 2 2 258.409 3.178 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423015588 303118746 /nfs/dbraw/zinc/11/87/46/303118746.db2.gz KZJGYOLRIOKSQZ-KBPBESRZSA-N 2 2 284.325 3.108 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000152823107 321707339 /nfs/dbraw/zinc/70/73/39/321707339.db2.gz QBLFLCNAVNSFBM-HUUCEWRRSA-N 2 2 278.440 3.119 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CCSCC1 ZINC000563444516 321999046 /nfs/dbraw/zinc/99/90/46/321999046.db2.gz NSELTQYFTDWYHG-HUUCEWRRSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000564105609 322020661 /nfs/dbraw/zinc/02/06/61/322020661.db2.gz CFOWIYYJTYINKX-DOTOQJQBSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564105609 322020663 /nfs/dbraw/zinc/02/06/63/322020663.db2.gz CFOWIYYJTYINKX-DOTOQJQBSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000564493137 322032549 /nfs/dbraw/zinc/03/25/49/322032549.db2.gz WYRJNCNXRKUULT-HNNXBMFYSA-N 2 2 275.440 3.486 20 0 CGADLP CC1(C)CC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000564494865 322032594 /nfs/dbraw/zinc/03/25/94/322032594.db2.gz GLHQNWQXIPYHDV-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000564823789 322044837 /nfs/dbraw/zinc/04/48/37/322044837.db2.gz KIUOEUBIGVJNNL-JCURWCKSSA-N 2 2 284.407 3.259 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565904386 322096077 /nfs/dbraw/zinc/09/60/77/322096077.db2.gz NKZOUKDRCOWFMD-PBHICJAKSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565904386 322096079 /nfs/dbraw/zinc/09/60/79/322096079.db2.gz NKZOUKDRCOWFMD-PBHICJAKSA-N 2 2 296.418 3.341 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480603 322125841 /nfs/dbraw/zinc/12/58/41/322125841.db2.gz XWLWZXIUIGGXJR-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480603 322125843 /nfs/dbraw/zinc/12/58/43/322125843.db2.gz XWLWZXIUIGGXJR-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000566498865 322126915 /nfs/dbraw/zinc/12/69/15/322126915.db2.gz IVWIULURQAWWBF-AEFFLSMTSA-N 2 2 283.419 3.402 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2oc3ccccc3c2C)n1C ZINC000566499364 322127378 /nfs/dbraw/zinc/12/73/78/322127378.db2.gz RCFDVWGJILDYFN-UHFFFAOYSA-N 2 2 269.348 3.073 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000566862964 322141430 /nfs/dbraw/zinc/14/14/30/322141430.db2.gz ATTWEDQCEWYMQQ-CABCVRRESA-N 2 2 259.397 3.098 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000566862964 322141432 /nfs/dbraw/zinc/14/14/32/322141432.db2.gz ATTWEDQCEWYMQQ-CABCVRRESA-N 2 2 259.397 3.098 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942883 322144013 /nfs/dbraw/zinc/14/40/13/322144013.db2.gz RPLUZPNJPYRIDU-OCCSQVGLSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942883 322144015 /nfs/dbraw/zinc/14/40/15/322144015.db2.gz RPLUZPNJPYRIDU-OCCSQVGLSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942883 322144017 /nfs/dbraw/zinc/14/40/17/322144017.db2.gz RPLUZPNJPYRIDU-OCCSQVGLSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000566942883 322144020 /nfs/dbraw/zinc/14/40/20/322144020.db2.gz RPLUZPNJPYRIDU-OCCSQVGLSA-N 2 2 295.496 3.213 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000567574842 322168498 /nfs/dbraw/zinc/16/84/98/322168498.db2.gz PQRGSKDBQAEYMW-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000567574842 322168500 /nfs/dbraw/zinc/16/85/00/322168500.db2.gz PQRGSKDBQAEYMW-DDBAPUKQSA-N 2 2 290.426 3.377 20 0 CGADLP Fc1ccc2c(cc[nH+]c2NC2CC[NH+](C3CCC3)CC2)c1 ZINC000567767313 322177080 /nfs/dbraw/zinc/17/70/80/322177080.db2.gz IQGOJIHHTWPGCM-UHFFFAOYSA-N 2 2 299.393 3.225 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000567825423 322179003 /nfs/dbraw/zinc/17/90/03/322179003.db2.gz LSAVYDKKIBWSIO-ARFHVFGLSA-N 2 2 263.429 3.468 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568269607 322201774 /nfs/dbraw/zinc/20/17/74/322201774.db2.gz QSNPGQPLLGIJPU-UONOGXRCSA-N 2 2 261.413 3.146 20 0 CGADLP CC1CCC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000569287027 322241996 /nfs/dbraw/zinc/24/19/96/322241996.db2.gz KNXXCQPKKYTDNU-PYBGIAKNSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000569335982 322243899 /nfs/dbraw/zinc/24/38/99/322243899.db2.gz KVHDOTORABFTSJ-KHYOSLBOSA-N 2 2 296.414 3.475 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000569479914 322248598 /nfs/dbraw/zinc/24/85/98/322248598.db2.gz NUYIWNRLKBJLGC-UHFFFAOYSA-N 2 2 268.351 3.490 20 0 CGADLP CN(CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000570039509 322263515 /nfs/dbraw/zinc/26/35/15/322263515.db2.gz YVPKYVLVOTXSFJ-INIZCTEOSA-N 2 2 298.434 3.116 20 0 CGADLP CN(CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000570039509 322263517 /nfs/dbraw/zinc/26/35/17/322263517.db2.gz YVPKYVLVOTXSFJ-INIZCTEOSA-N 2 2 298.434 3.116 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCCC23CCCC3)n1C ZINC000571538546 322301442 /nfs/dbraw/zinc/30/14/42/322301442.db2.gz RENSAODDSYOXEB-OAHLLOKOSA-N 2 2 261.413 3.321 20 0 CGADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000571920443 322312017 /nfs/dbraw/zinc/31/20/17/322312017.db2.gz UMCJYPNQWHQKLZ-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1F ZINC000572647930 322348257 /nfs/dbraw/zinc/34/82/57/322348257.db2.gz HMNTVBQCDZOMKT-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1F ZINC000572647930 322348261 /nfs/dbraw/zinc/34/82/61/322348261.db2.gz HMNTVBQCDZOMKT-UHFFFAOYSA-N 2 2 282.378 3.273 20 0 CGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000572781110 322354586 /nfs/dbraw/zinc/35/45/86/322354586.db2.gz BTGNBOPXLISQJO-HNNXBMFYSA-N 2 2 292.471 3.017 20 0 CGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000572781110 322354589 /nfs/dbraw/zinc/35/45/89/322354589.db2.gz BTGNBOPXLISQJO-HNNXBMFYSA-N 2 2 292.471 3.017 20 0 CGADLP CCC[N@H+](CCc1cc[nH+]cc1C)C[C@H]1CCCCO1 ZINC000573202697 322375245 /nfs/dbraw/zinc/37/52/45/322375245.db2.gz BQTJLCRGZSYUQK-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP CCC[N@@H+](CCc1cc[nH+]cc1C)C[C@H]1CCCCO1 ZINC000573202697 322375246 /nfs/dbraw/zinc/37/52/46/322375246.db2.gz BQTJLCRGZSYUQK-QGZVFWFLSA-N 2 2 276.424 3.214 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccc3ccccc3c2)n1C ZINC000573339579 322383092 /nfs/dbraw/zinc/38/30/92/322383092.db2.gz PHPJYBYJSQVUHH-UHFFFAOYSA-N 2 2 295.386 3.050 20 0 CGADLP CC(C)SCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000575004753 322468707 /nfs/dbraw/zinc/46/87/07/322468707.db2.gz UXNPJUKZRFLSAR-UHFFFAOYSA-N 2 2 279.453 3.100 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582965015 329292890 /nfs/dbraw/zinc/29/28/90/329292890.db2.gz VTNBPSOTRDTVHI-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582965015 329292891 /nfs/dbraw/zinc/29/28/91/329292891.db2.gz VTNBPSOTRDTVHI-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000584427353 329467286 /nfs/dbraw/zinc/46/72/86/329467286.db2.gz RMIWEKUMPRVGSL-ZDUSSCGKSA-N 2 2 288.366 3.431 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@@H+]1C ZINC000576310293 335188056 /nfs/dbraw/zinc/18/80/56/335188056.db2.gz BFYLKAJRCWRXMS-NWDGAFQWSA-N 2 2 295.390 3.006 20 0 CGADLP C[C@H]1C[C@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)CC[N@H+]1C ZINC000576310293 335188058 /nfs/dbraw/zinc/18/80/58/335188058.db2.gz BFYLKAJRCWRXMS-NWDGAFQWSA-N 2 2 295.390 3.006 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000576411026 335200834 /nfs/dbraw/zinc/20/08/34/335200834.db2.gz DGNPXWMYAJWGRK-RHSMWYFYSA-N 2 2 296.418 3.026 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000576411026 335200835 /nfs/dbraw/zinc/20/08/35/335200835.db2.gz DGNPXWMYAJWGRK-RHSMWYFYSA-N 2 2 296.418 3.026 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000577043767 335288795 /nfs/dbraw/zinc/28/87/95/335288795.db2.gz VAOUAWUKVMLZSH-NUJGCVRESA-N 2 2 287.451 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000577043767 335288797 /nfs/dbraw/zinc/28/87/97/335288797.db2.gz VAOUAWUKVMLZSH-NUJGCVRESA-N 2 2 287.451 3.039 20 0 CGADLP FCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000577492765 335358812 /nfs/dbraw/zinc/35/88/12/335358812.db2.gz WGTTUGBFDHOMRD-UHFFFAOYSA-N 2 2 290.426 3.175 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccncc1Cl ZINC000581542194 336098431 /nfs/dbraw/zinc/09/84/31/336098431.db2.gz FRYHKWZAGPEJPR-NSHDSACASA-N 2 2 290.798 3.119 20 0 CGADLP C[C@H](C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000384322728 336123612 /nfs/dbraw/zinc/12/36/12/336123612.db2.gz PYOXFTGBUZOBBT-DNVCBOLYSA-N 2 2 280.415 3.348 20 0 CGADLP C[C@H](C[N@H+]1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000384322728 336123613 /nfs/dbraw/zinc/12/36/13/336123613.db2.gz PYOXFTGBUZOBBT-DNVCBOLYSA-N 2 2 280.415 3.348 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CCCC[NH2+]1 ZINC000386072850 336165754 /nfs/dbraw/zinc/16/57/54/336165754.db2.gz FSQRUXDVZHWKQT-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414826705 500620000 /nfs/dbraw/zinc/62/00/00/500620000.db2.gz GBBQWSJUWJXDBY-GOSISDBHSA-N 2 2 284.403 3.263 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cn1 ZINC000359052032 533793836 /nfs/dbraw/zinc/79/38/36/533793836.db2.gz DSSCXHFLFPSFGB-GRTSSRMGSA-N 2 2 293.842 3.403 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368101456 533830150 /nfs/dbraw/zinc/83/01/50/533830150.db2.gz KJBPFISKTIWDLM-GOEBONIOSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368101456 533830161 /nfs/dbraw/zinc/83/01/61/533830161.db2.gz KJBPFISKTIWDLM-GOEBONIOSA-N 2 2 283.419 3.186 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cccc12 ZINC000449131719 533837894 /nfs/dbraw/zinc/83/78/94/533837894.db2.gz PDWFMTOFFFFSDS-OAHLLOKOSA-N 2 2 296.414 3.175 20 0 CGADLP COc1cccc2c(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cccc12 ZINC000449131719 533837900 /nfs/dbraw/zinc/83/79/00/533837900.db2.gz PDWFMTOFFFFSDS-OAHLLOKOSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+][C@H](C)C[NH3+] ZINC000423323646 533886702 /nfs/dbraw/zinc/88/67/02/533886702.db2.gz JYSDSRQTHPQUTE-RISCZKNCSA-N 2 2 284.831 3.373 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414076677 533926844 /nfs/dbraw/zinc/92/68/44/533926844.db2.gz YNAXKCNTWWGTSX-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414064953 533934312 /nfs/dbraw/zinc/93/43/12/533934312.db2.gz NTJUMSFCTIXZAG-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000358203324 534106584 /nfs/dbraw/zinc/10/65/84/534106584.db2.gz NVSXFORQGICKHX-GOEBONIOSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000358203324 534106588 /nfs/dbraw/zinc/10/65/88/534106588.db2.gz NVSXFORQGICKHX-GOEBONIOSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439024 534190471 /nfs/dbraw/zinc/19/04/71/534190471.db2.gz RBHYAULLMGPHPC-LBPRGKRZSA-N 2 2 281.469 3.229 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000417346009 517612572 /nfs/dbraw/zinc/61/25/72/517612572.db2.gz SVMRULPBFRLZNT-MCIONIFRSA-N 2 2 261.413 3.002 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062236 522717885 /nfs/dbraw/zinc/71/78/85/522717885.db2.gz IYHISARURGGOSY-IOASZLSFSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1F ZINC000164062236 522717901 /nfs/dbraw/zinc/71/79/01/522717901.db2.gz IYHISARURGGOSY-IOASZLSFSA-N 2 2 264.388 3.349 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccccc2o1 ZINC000075860199 522928557 /nfs/dbraw/zinc/92/85/57/522928557.db2.gz GHVIEBYXQXHAST-AWEZNQCLSA-N 2 2 287.407 3.134 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccccc2o1 ZINC000075860199 522928566 /nfs/dbraw/zinc/92/85/66/522928566.db2.gz GHVIEBYXQXHAST-AWEZNQCLSA-N 2 2 287.407 3.134 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2ccccc2o1 ZINC000075860199 522928574 /nfs/dbraw/zinc/92/85/74/522928574.db2.gz GHVIEBYXQXHAST-AWEZNQCLSA-N 2 2 287.407 3.134 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nc2ccccc2o1 ZINC000075860199 522928580 /nfs/dbraw/zinc/92/85/80/522928580.db2.gz GHVIEBYXQXHAST-AWEZNQCLSA-N 2 2 287.407 3.134 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)s1 ZINC000163445897 524025076 /nfs/dbraw/zinc/02/50/76/524025076.db2.gz TXBMHDYFLXLKRH-KGLIPLIRSA-N 2 2 296.480 3.072 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)s1 ZINC000163445897 524025079 /nfs/dbraw/zinc/02/50/79/524025079.db2.gz TXBMHDYFLXLKRH-KGLIPLIRSA-N 2 2 296.480 3.072 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129698556 524511764 /nfs/dbraw/zinc/51/17/64/524511764.db2.gz HKCZWVHRBAMDFV-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000129698556 524511777 /nfs/dbraw/zinc/51/17/77/524511777.db2.gz HKCZWVHRBAMDFV-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ncc(-c2ccccc2)o1 ZINC000184874906 525347355 /nfs/dbraw/zinc/34/73/55/525347355.db2.gz YPMOULOQCFIOEG-AWEZNQCLSA-N 2 2 296.374 3.279 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1(C)CC1 ZINC000156216512 525444136 /nfs/dbraw/zinc/44/41/36/525444136.db2.gz AYBRKFWFNCTKHN-GFCCVEGCSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccncc1 ZINC000156491348 525461250 /nfs/dbraw/zinc/46/12/50/525461250.db2.gz UCFNDJDFJRCHQK-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP c1csc([C@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCC2)c1 ZINC000086249414 526588612 /nfs/dbraw/zinc/58/86/12/526588612.db2.gz UYDZCFFTUPCXSV-AWEZNQCLSA-N 2 2 275.421 3.003 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250241 536464928 /nfs/dbraw/zinc/46/49/28/536464928.db2.gz BRQIWGWVAOZNEE-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250241 536464930 /nfs/dbraw/zinc/46/49/30/536464930.db2.gz BRQIWGWVAOZNEE-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250241 536464931 /nfs/dbraw/zinc/46/49/31/536464931.db2.gz BRQIWGWVAOZNEE-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC000512250241 536464934 /nfs/dbraw/zinc/46/49/34/536464934.db2.gz BRQIWGWVAOZNEE-RTBURBONSA-N 2 2 284.447 3.480 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CS1 ZINC000368488789 526738415 /nfs/dbraw/zinc/73/84/15/526738415.db2.gz TYORKAXFIHQZRD-GXTWGEPZSA-N 2 2 293.480 3.229 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2ccccc21 ZINC000157425847 527418516 /nfs/dbraw/zinc/41/85/16/527418516.db2.gz YDMRDGFLHFKLMD-HOTGVXAUSA-N 2 2 274.314 3.199 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032350 527755751 /nfs/dbraw/zinc/75/57/51/527755751.db2.gz XFFTWBMNYYDMNM-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032350 527755755 /nfs/dbraw/zinc/75/57/55/527755755.db2.gz XFFTWBMNYYDMNM-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032350 527755759 /nfs/dbraw/zinc/75/57/59/527755759.db2.gz XFFTWBMNYYDMNM-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2F)C[C@@H]1C ZINC000449032350 527755761 /nfs/dbraw/zinc/75/57/61/527755761.db2.gz XFFTWBMNYYDMNM-GOEBONIOSA-N 2 2 278.415 3.439 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000302508405 527810013 /nfs/dbraw/zinc/81/00/13/527810013.db2.gz MQLJNSWSIZVZOI-CZUORRHYSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000302508405 527810018 /nfs/dbraw/zinc/81/00/18/527810018.db2.gz MQLJNSWSIZVZOI-CZUORRHYSA-N 2 2 252.446 3.274 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197026 527935758 /nfs/dbraw/zinc/93/57/58/527935758.db2.gz PBGKQRWDJLNLPI-LALPHHSUSA-N 2 2 266.816 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000414197026 527935760 /nfs/dbraw/zinc/93/57/60/527935760.db2.gz PBGKQRWDJLNLPI-LALPHHSUSA-N 2 2 266.816 3.331 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000358165766 528117965 /nfs/dbraw/zinc/11/79/65/528117965.db2.gz ORJILNONSDKUDK-ROUUACIJSA-N 2 2 270.420 3.032 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000358165766 528117969 /nfs/dbraw/zinc/11/79/69/528117969.db2.gz ORJILNONSDKUDK-ROUUACIJSA-N 2 2 270.420 3.032 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422887007 528235767 /nfs/dbraw/zinc/23/57/67/528235767.db2.gz ALNMTBPWAWPJJC-BFHYXJOUSA-N 2 2 293.480 3.277 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423244641 528332722 /nfs/dbraw/zinc/33/27/22/528332722.db2.gz LLIICUGGVGOPTF-CQSZACIVSA-N 2 2 297.240 3.099 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000423252151 528334314 /nfs/dbraw/zinc/33/43/14/528334314.db2.gz XDNXBGQTKNGFCP-CYBMUJFWSA-N 2 2 285.229 3.099 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423387586 528422790 /nfs/dbraw/zinc/42/27/90/528422790.db2.gz SNSMFCXIBJJOKP-MNOVXSKESA-N 2 2 283.485 3.398 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000423307003 528515509 /nfs/dbraw/zinc/51/55/09/528515509.db2.gz GBRNFOWETLKTLI-LLVKDONJSA-N 2 2 269.458 3.225 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423311811 528515747 /nfs/dbraw/zinc/51/57/47/528515747.db2.gz QWSGRBMHLQOODO-LLVKDONJSA-N 2 2 285.229 3.099 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1SCC ZINC000423305416 528516373 /nfs/dbraw/zinc/51/63/73/528516373.db2.gz BRPXJVHWXKAEKA-CYBMUJFWSA-N 2 2 266.454 3.449 20 0 CGADLP CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072980269 528599809 /nfs/dbraw/zinc/59/98/09/528599809.db2.gz AJQHARQYGMPSLA-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072980269 528599818 /nfs/dbraw/zinc/59/98/18/528599818.db2.gz AJQHARQYGMPSLA-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H]([NH3+])C3CC3)oc21 ZINC000423318416 528699365 /nfs/dbraw/zinc/69/93/65/528699365.db2.gz LAIZFKOBHBXRIP-RISCZKNCSA-N 2 2 288.391 3.219 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]([NH3+])CC)oc21 ZINC000423470919 528700676 /nfs/dbraw/zinc/70/06/76/528700676.db2.gz PKYXNWWOCAFWTC-WCQYABFASA-N 2 2 276.380 3.219 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423300845 528821807 /nfs/dbraw/zinc/82/18/07/528821807.db2.gz SFIIPPUZESIHAY-ZFWWWQNUSA-N 2 2 271.408 3.403 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423287915 528952357 /nfs/dbraw/zinc/95/23/57/528952357.db2.gz PIDMOBMYUCYIGC-LLVKDONJSA-N 2 2 268.376 3.002 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423295591 528956826 /nfs/dbraw/zinc/95/68/26/528956826.db2.gz FJQDWXHGGFDFSI-UKRRQHHQSA-N 2 2 278.444 3.166 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437107218 529034087 /nfs/dbraw/zinc/03/40/87/529034087.db2.gz YNDVYJFQVRHWAJ-KRWDZBQOSA-N 2 2 274.452 3.328 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528850 529202071 /nfs/dbraw/zinc/20/20/71/529202071.db2.gz VDYNZLOMKDFOTN-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528850 529202074 /nfs/dbraw/zinc/20/20/74/529202074.db2.gz VDYNZLOMKDFOTN-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000427893983 529203806 /nfs/dbraw/zinc/20/38/06/529203806.db2.gz PXGAHXNWMJETEU-IUODEOHRSA-N 2 2 291.345 3.217 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000368495114 529304922 /nfs/dbraw/zinc/30/49/22/529304922.db2.gz ILHZGLIWQUPINV-ZIAGYGMSSA-N 2 2 261.413 3.278 20 0 CGADLP CCC(CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191837614 535078248 /nfs/dbraw/zinc/07/82/48/535078248.db2.gz AKAMKGBITVWCIB-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP CCC(CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191837614 535078250 /nfs/dbraw/zinc/07/82/50/535078250.db2.gz AKAMKGBITVWCIB-SFHVURJKSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000494619098 535241288 /nfs/dbraw/zinc/24/12/88/535241288.db2.gz UAHKREWPKNYMFL-HJWJTTGWSA-N 2 2 264.457 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000494619098 535241285 /nfs/dbraw/zinc/24/12/85/535241285.db2.gz UAHKREWPKNYMFL-HJWJTTGWSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313123551 536011451 /nfs/dbraw/zinc/01/14/51/536011451.db2.gz WKTQBFXENJTHBN-JQFCIGGWSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000729681512 571928965 /nfs/dbraw/zinc/92/89/65/571928965.db2.gz AGFRJJGBLDEBGC-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000729681512 571928966 /nfs/dbraw/zinc/92/89/66/571928966.db2.gz AGFRJJGBLDEBGC-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1Cl ZINC000197656920 572503348 /nfs/dbraw/zinc/50/33/48/572503348.db2.gz XSAHEKXJERODBC-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1Cl ZINC000197656920 572503353 /nfs/dbraw/zinc/50/33/53/572503353.db2.gz XSAHEKXJERODBC-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP Cc1ccsc1C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000220353048 572877291 /nfs/dbraw/zinc/87/72/91/572877291.db2.gz CJENMZUPGXLISG-UHFFFAOYSA-N 2 2 260.406 3.017 20 0 CGADLP Cc1ccsc1C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000220353048 572877293 /nfs/dbraw/zinc/87/72/93/572877293.db2.gz CJENMZUPGXLISG-UHFFFAOYSA-N 2 2 260.406 3.017 20 0 CGADLP CCC(CC)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000750040438 573077264 /nfs/dbraw/zinc/07/72/64/573077264.db2.gz XDIPIIJCOSROQM-UHFFFAOYSA-N 2 2 284.407 3.420 20 0 CGADLP CCC(CC)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000750040438 573077269 /nfs/dbraw/zinc/07/72/69/573077269.db2.gz XDIPIIJCOSROQM-UHFFFAOYSA-N 2 2 284.407 3.420 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449419 618686814 /nfs/dbraw/zinc/68/68/14/618686814.db2.gz GUPMCMDTTZSSDQ-OLZOCXBDSA-N 2 2 263.429 3.173 20 0 CGADLP FC1(F)CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926558588 618741349 /nfs/dbraw/zinc/74/13/49/618741349.db2.gz PZGWYCPOIRZBBK-KGLIPLIRSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926558588 618741351 /nfs/dbraw/zinc/74/13/51/618741351.db2.gz PZGWYCPOIRZBBK-KGLIPLIRSA-N 2 2 272.383 3.028 20 0 CGADLP c1csc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)c1 ZINC000925517636 619010458 /nfs/dbraw/zinc/01/04/58/619010458.db2.gz WGNMIOLBLSWVJM-ZIAGYGMSSA-N 2 2 262.422 3.073 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC000925681015 619128876 /nfs/dbraw/zinc/12/88/76/619128876.db2.gz MCXBSMWHHRNHQT-DRZSPHRISA-N 2 2 287.234 3.248 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893486890 619190266 /nfs/dbraw/zinc/19/02/66/619190266.db2.gz DRYQCWIDQYKAHE-ZIAGYGMSSA-N 2 2 292.423 3.031 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893486890 619190267 /nfs/dbraw/zinc/19/02/67/619190267.db2.gz DRYQCWIDQYKAHE-ZIAGYGMSSA-N 2 2 292.423 3.031 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(Cl)n1 ZINC000925764532 619224747 /nfs/dbraw/zinc/22/47/47/619224747.db2.gz GPXZPSWQJKCTCL-ZFWWWQNUSA-N 2 2 295.858 3.444 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000049127716 619701348 /nfs/dbraw/zinc/70/13/48/619701348.db2.gz QEQHQQCQQZLJBW-MRXNPFEDSA-N 2 2 257.381 3.397 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925103471 619701952 /nfs/dbraw/zinc/70/19/52/619701952.db2.gz QTBIRXPSAMPMGZ-ZWKOTPCHSA-N 2 2 287.451 3.095 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925103471 619701956 /nfs/dbraw/zinc/70/19/56/619701956.db2.gz QTBIRXPSAMPMGZ-ZWKOTPCHSA-N 2 2 287.451 3.095 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2occc2C)CC1 ZINC000895827472 619889355 /nfs/dbraw/zinc/88/93/55/619889355.db2.gz KXXLTOKVUZFSQO-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP C(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)CC1CCCCC1 ZINC000897229298 620165975 /nfs/dbraw/zinc/16/59/75/620165975.db2.gz SRJWFVRPLWJSDG-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP C(C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)CC1CCCCC1 ZINC000897229298 620165977 /nfs/dbraw/zinc/16/59/77/620165977.db2.gz SRJWFVRPLWJSDG-SFHVURJKSA-N 2 2 294.483 3.190 20 0 CGADLP COc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000897479866 620346738 /nfs/dbraw/zinc/34/67/38/620346738.db2.gz KQBIPIHKILSQIZ-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP COc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000897479866 620346740 /nfs/dbraw/zinc/34/67/40/620346740.db2.gz KQBIPIHKILSQIZ-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1C ZINC000897984796 620462245 /nfs/dbraw/zinc/46/22/45/620462245.db2.gz HCZIXDFZAVRAQH-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924730803 620580597 /nfs/dbraw/zinc/58/05/97/620580597.db2.gz QYFBKKVSVMKUBW-VYDXJSESSA-N 2 2 295.471 3.217 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902428748 621314859 /nfs/dbraw/zinc/31/48/59/621314859.db2.gz HORXXDKAIGBCPM-UONOGXRCSA-N 2 2 282.815 3.098 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC2([NH3+])CC2)c2ccccc2)cc1 ZINC000902413074 621322717 /nfs/dbraw/zinc/32/27/17/621322717.db2.gz HVKTVJNXWPEAOH-QGZVFWFLSA-N 2 2 266.388 3.165 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)ccc1F ZINC000902474193 621324913 /nfs/dbraw/zinc/32/49/13/621324913.db2.gz DEQHIEDWCSSULE-XLNGHYISSA-N 2 2 274.383 3.068 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000902887265 621484586 /nfs/dbraw/zinc/48/45/86/621484586.db2.gz GKRDHWFVFGYOSF-WBAXXEDZSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018867 621521133 /nfs/dbraw/zinc/52/11/33/621521133.db2.gz HJXUZBAQTKZSML-WBTNSWJXSA-N 2 2 299.418 3.336 20 0 CGADLP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006149 621528493 /nfs/dbraw/zinc/52/84/93/621528493.db2.gz FFUQWMRGFZKBEI-KBPBESRZSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903040653 621541030 /nfs/dbraw/zinc/54/10/30/621541030.db2.gz DBPMAMAXBCNXQY-GJZGRUSLSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903051418 621557187 /nfs/dbraw/zinc/55/71/87/621557187.db2.gz MAGPDQPRFIFPAX-RKVPGOIHSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903085093 621564372 /nfs/dbraw/zinc/56/43/72/621564372.db2.gz PXOJPTCNTJIYSA-IJEWVQPXSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903069987 621568520 /nfs/dbraw/zinc/56/85/20/621568520.db2.gz NOJAJMDNFZGGLZ-PQKJENKHSA-N 2 2 299.418 3.335 20 0 CGADLP CCC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073182 621570837 /nfs/dbraw/zinc/57/08/37/621570837.db2.gz OIPZMYGIKIKALL-HOCLYGCPSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903319200 621674748 /nfs/dbraw/zinc/67/47/48/621674748.db2.gz TUNUJYBXCTVBGW-ZDMKNRLGSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903319200 621674751 /nfs/dbraw/zinc/67/47/51/621674751.db2.gz TUNUJYBXCTVBGW-ZDMKNRLGSA-N 2 2 299.462 3.070 20 0 CGADLP CC1(c2ccccc2)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903892077 621824629 /nfs/dbraw/zinc/82/46/29/621824629.db2.gz PHQDFNQKQNQBTG-AWEZNQCLSA-N 2 2 282.378 3.023 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903883023 621826261 /nfs/dbraw/zinc/82/62/61/621826261.db2.gz DLWCOSGJAYGIDX-GXTWGEPZSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903883023 621826264 /nfs/dbraw/zinc/82/62/64/621826264.db2.gz DLWCOSGJAYGIDX-GXTWGEPZSA-N 2 2 268.351 3.114 20 0 CGADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903899412 621829841 /nfs/dbraw/zinc/82/98/41/621829841.db2.gz UOGPVMAOWLGRNJ-VHDGCEQUSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)CC[C@H]1c1ccccc1 ZINC000903899412 621829842 /nfs/dbraw/zinc/82/98/42/621829842.db2.gz UOGPVMAOWLGRNJ-VHDGCEQUSA-N 2 2 282.378 3.095 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431090 621921110 /nfs/dbraw/zinc/92/11/10/621921110.db2.gz OIRDEKOZHBTRMA-PBHICJAKSA-N 2 2 276.399 3.147 20 0 CGADLP C[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431090 621921114 /nfs/dbraw/zinc/92/11/14/621921114.db2.gz OIRDEKOZHBTRMA-PBHICJAKSA-N 2 2 276.399 3.147 20 0 CGADLP CC[NH2+]Cc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1F ZINC000904848450 622007665 /nfs/dbraw/zinc/00/76/65/622007665.db2.gz BPCDCXHYWUOJHD-UHFFFAOYSA-N 2 2 273.355 3.063 20 0 CGADLP C[NH+](C)C1(C)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590018 622251089 /nfs/dbraw/zinc/25/10/89/622251089.db2.gz MMZCTTONATUJEI-CVEARBPZSA-N 2 2 276.399 3.098 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906595942 622256249 /nfs/dbraw/zinc/25/62/49/622256249.db2.gz KHJXUBQBFIIMFY-SJORKVTESA-N 2 2 288.410 3.242 20 0 CGADLP CCC[C@H](CC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000224599529 622880753 /nfs/dbraw/zinc/88/07/53/622880753.db2.gz WHCOAMUXENEYJX-UONOGXRCSA-N 2 2 251.418 3.466 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C[NH+]1CCCC1 ZINC000057994463 622895989 /nfs/dbraw/zinc/89/59/89/622895989.db2.gz HKQZXQYKFFVSAR-IJEWVQPXSA-N 2 2 276.424 3.225 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc21 ZINC000157287715 622896523 /nfs/dbraw/zinc/89/65/23/622896523.db2.gz QHBHVZWQHYEDKX-OAGGEKHMSA-N 2 2 268.360 3.391 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000227871443 623033871 /nfs/dbraw/zinc/03/38/71/623033871.db2.gz FMALOMHZCOXPCX-OIISXLGYSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862369 623270559 /nfs/dbraw/zinc/27/05/59/623270559.db2.gz AMTKMUWOKSQKFL-HNNXBMFYSA-N 2 2 266.816 3.162 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862369 623270567 /nfs/dbraw/zinc/27/05/67/623270567.db2.gz AMTKMUWOKSQKFL-HNNXBMFYSA-N 2 2 266.816 3.162 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000152526277 623687382 /nfs/dbraw/zinc/68/73/82/623687382.db2.gz RPHNSBFHIABPPJ-KRWDZBQOSA-N 2 2 299.418 3.339 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1CF ZINC000929815271 623725815 /nfs/dbraw/zinc/72/58/15/623725815.db2.gz RVVSGANLTMYFJX-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1CF ZINC000929815271 623725820 /nfs/dbraw/zinc/72/58/20/623725820.db2.gz RVVSGANLTMYFJX-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CF ZINC000929815271 623725828 /nfs/dbraw/zinc/72/58/28/623725828.db2.gz RVVSGANLTMYFJX-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CF ZINC000929815271 623725834 /nfs/dbraw/zinc/72/58/34/623725834.db2.gz RVVSGANLTMYFJX-SJORKVTESA-N 2 2 276.399 3.215 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000925360657 626022258 /nfs/dbraw/zinc/02/22/58/626022258.db2.gz XOUUDOMKTOYJFD-QGZVFWFLSA-N 2 2 288.435 3.220 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000020043109 634475125 /nfs/dbraw/zinc/47/51/25/634475125.db2.gz ALVASXSOSSSZOB-UHFFFAOYSA-N 2 2 272.795 3.157 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000760897423 627000693 /nfs/dbraw/zinc/00/06/93/627000693.db2.gz LLHGHEVRFAQYCY-ZDUSSCGKSA-N 2 2 293.455 3.318 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000762382705 627107816 /nfs/dbraw/zinc/10/78/16/627107816.db2.gz WKTJROHSLNUETI-IIDMSEBBSA-N 2 2 299.418 3.042 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000762382705 627107817 /nfs/dbraw/zinc/10/78/17/627107817.db2.gz WKTJROHSLNUETI-IIDMSEBBSA-N 2 2 299.418 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000764966317 627234353 /nfs/dbraw/zinc/23/43/53/627234353.db2.gz OGIDRLKKCKUCEA-YUTCNCBUSA-N 2 2 279.815 3.012 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000764966317 627234355 /nfs/dbraw/zinc/23/43/55/627234355.db2.gz OGIDRLKKCKUCEA-YUTCNCBUSA-N 2 2 279.815 3.012 20 0 CGADLP CCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000766005035 627286119 /nfs/dbraw/zinc/28/61/19/627286119.db2.gz VEECTJPSHUGFEK-ZDUSSCGKSA-N 2 2 295.390 3.009 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766268426 627309048 /nfs/dbraw/zinc/30/90/48/627309048.db2.gz LCYTVFCQCMYUQO-ARFHVFGLSA-N 2 2 290.451 3.261 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766268426 627309053 /nfs/dbraw/zinc/30/90/53/627309053.db2.gz LCYTVFCQCMYUQO-ARFHVFGLSA-N 2 2 290.451 3.261 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC2 ZINC000766272417 627309849 /nfs/dbraw/zinc/30/98/49/627309849.db2.gz XBMSJYHFUJBYIK-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC2 ZINC000766272417 627309851 /nfs/dbraw/zinc/30/98/51/627309851.db2.gz XBMSJYHFUJBYIK-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1C ZINC000766274062 627310854 /nfs/dbraw/zinc/31/08/54/627310854.db2.gz SHXIGEFKJIYLAH-GOEBONIOSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1C ZINC000766274062 627310858 /nfs/dbraw/zinc/31/08/58/627310858.db2.gz SHXIGEFKJIYLAH-GOEBONIOSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766273600 627311021 /nfs/dbraw/zinc/31/10/21/627311021.db2.gz QLLLUHBWGVPOQZ-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766273600 627311023 /nfs/dbraw/zinc/31/10/23/627311023.db2.gz QLLLUHBWGVPOQZ-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2ccccc2[nH]1 ZINC000775622863 628115256 /nfs/dbraw/zinc/11/52/56/628115256.db2.gz JMQSHFZGEGIMDW-QWHCGFSZSA-N 2 2 268.364 3.104 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CCC3)cc2)CC1 ZINC000776807706 628233508 /nfs/dbraw/zinc/23/35/08/628233508.db2.gz XLGACOSJUDPBBB-OAHLLOKOSA-N 2 2 287.451 3.429 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788499920 629060038 /nfs/dbraw/zinc/06/00/38/629060038.db2.gz XBDJSNCUEHJXJJ-CYBMUJFWSA-N 2 2 281.831 3.044 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863544980 629603676 /nfs/dbraw/zinc/60/36/76/629603676.db2.gz GGCZEXIDUIPISK-KKUMJFAQSA-N 2 2 276.424 3.103 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000796785773 629833375 /nfs/dbraw/zinc/83/33/75/629833375.db2.gz YYLDCDQBUJDNOQ-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000796785773 629833378 /nfs/dbraw/zinc/83/33/78/629833378.db2.gz YYLDCDQBUJDNOQ-KBPBESRZSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000799714836 630223292 /nfs/dbraw/zinc/22/32/92/630223292.db2.gz GVASOSFDJKBTGS-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP C1=CO[C@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000799736486 630228138 /nfs/dbraw/zinc/22/81/38/630228138.db2.gz VBJNRCYGBJLKHY-KRWDZBQOSA-N 2 2 292.467 3.315 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH+]2C3CCCC2CCC3)s1 ZINC000809584323 630754236 /nfs/dbraw/zinc/75/42/36/630754236.db2.gz WWWUHUMKICUDHO-UHFFFAOYSA-N 2 2 279.453 3.112 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(Cl)c(C)c1 ZINC000809749648 630799158 /nfs/dbraw/zinc/79/91/58/630799158.db2.gz IOWZAFOSADPXSY-UHFFFAOYSA-N 2 2 295.858 3.351 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(Cl)c(C)c1 ZINC000809749648 630799165 /nfs/dbraw/zinc/79/91/65/630799165.db2.gz IOWZAFOSADPXSY-UHFFFAOYSA-N 2 2 295.858 3.351 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000810148453 630846617 /nfs/dbraw/zinc/84/66/17/630846617.db2.gz ZSKYFPDCVHUJHJ-NUEKZKHPSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000810148453 630846622 /nfs/dbraw/zinc/84/66/22/630846622.db2.gz ZSKYFPDCVHUJHJ-NUEKZKHPSA-N 2 2 250.430 3.053 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817954075 632249110 /nfs/dbraw/zinc/24/91/10/632249110.db2.gz BFYPKPRBBWBDDZ-QZTJIDSGSA-N 2 2 296.414 3.362 20 0 CGADLP CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000821402286 632765116 /nfs/dbraw/zinc/76/51/16/632765116.db2.gz PEBTYIWGYOMGMD-YSVLISHTSA-N 2 2 285.391 3.090 20 0 CGADLP C[NH+](C)CCC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000866213988 633030758 /nfs/dbraw/zinc/03/07/58/633030758.db2.gz FPKPINHABFBAIO-LJQANCHMSA-N 2 2 297.446 3.297 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H](C)C[NH+](C)C ZINC000866355777 633097325 /nfs/dbraw/zinc/09/73/25/633097325.db2.gz DJFURQNMTJVIOA-CABCVRRESA-N 2 2 285.435 3.096 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000823529291 633117884 /nfs/dbraw/zinc/11/78/84/633117884.db2.gz KBLNWYSGTHHNMY-SFHVURJKSA-N 2 2 287.451 3.429 20 0 CGADLP COCC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000823684629 633137379 /nfs/dbraw/zinc/13/73/79/633137379.db2.gz YSLRJJAWXIWMOB-UYSNPLJNSA-N 2 2 293.455 3.093 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720255 633235560 /nfs/dbraw/zinc/23/55/60/633235560.db2.gz IUUFTLOQQJAYPT-QZTJIDSGSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720255 633235564 /nfs/dbraw/zinc/23/55/64/633235564.db2.gz IUUFTLOQQJAYPT-QZTJIDSGSA-N 2 2 266.388 3.166 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866724939 633236837 /nfs/dbraw/zinc/23/68/37/633236837.db2.gz OKCZMUUYRGUTOO-JKSUJKDBSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866724939 633236839 /nfs/dbraw/zinc/23/68/39/633236839.db2.gz OKCZMUUYRGUTOO-JKSUJKDBSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(O)ccc1F ZINC000872018003 633938795 /nfs/dbraw/zinc/93/87/95/633938795.db2.gz HGHAIBOVNFKOPG-LLVKDONJSA-N 2 2 294.414 3.491 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000872019028 633939981 /nfs/dbraw/zinc/93/99/81/633939981.db2.gz SEFYBTLQMMIJCB-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000872019028 633939986 /nfs/dbraw/zinc/93/99/86/633939986.db2.gz SEFYBTLQMMIJCB-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCOC1 ZINC000872027443 633947358 /nfs/dbraw/zinc/94/73/58/633947358.db2.gz JNIAZTWVQWBORQ-SJLPKXTDSA-N 2 2 299.418 3.167 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872068770 633990447 /nfs/dbraw/zinc/99/04/47/633990447.db2.gz ZJICZAXSCZSTNY-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872068770 633990449 /nfs/dbraw/zinc/99/04/49/633990449.db2.gz ZJICZAXSCZSTNY-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000872073608 633995729 /nfs/dbraw/zinc/99/57/29/633995729.db2.gz SSGWYALWAAYGIZ-XQQFMLRXSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000872089609 634015624 /nfs/dbraw/zinc/01/56/24/634015624.db2.gz AUIHEFWDWKCEDW-PVAVHDDUSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000872089609 634015628 /nfs/dbraw/zinc/01/56/28/634015628.db2.gz AUIHEFWDWKCEDW-PVAVHDDUSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000834522819 634175354 /nfs/dbraw/zinc/17/53/54/634175354.db2.gz LCAZTKFUKHCJLB-SJORKVTESA-N 2 2 289.467 3.257 20 0 CGADLP c1cnc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000873134121 634253472 /nfs/dbraw/zinc/25/34/72/634253472.db2.gz XPIKQVAGUOJXLQ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000873134121 634253476 /nfs/dbraw/zinc/25/34/76/634253476.db2.gz XPIKQVAGUOJXLQ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229951 634292766 /nfs/dbraw/zinc/29/27/66/634292766.db2.gz JGDGRGAAZBQMOK-ZIAGYGMSSA-N 2 2 284.325 3.080 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000019905967 634369610 /nfs/dbraw/zinc/36/96/10/634369610.db2.gz IMVVZGVJYLLCCZ-WMLDXEAASA-N 2 2 260.425 3.458 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000876766004 634895606 /nfs/dbraw/zinc/89/56/06/634895606.db2.gz YYMJMSYQWWZCDX-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000876766004 634895611 /nfs/dbraw/zinc/89/56/11/634895611.db2.gz YYMJMSYQWWZCDX-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000876766004 634895613 /nfs/dbraw/zinc/89/56/13/634895613.db2.gz YYMJMSYQWWZCDX-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000876766004 634895617 /nfs/dbraw/zinc/89/56/17/634895617.db2.gz YYMJMSYQWWZCDX-CZUORRHYSA-N 2 2 294.414 3.139 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2o1 ZINC000876956051 634936446 /nfs/dbraw/zinc/93/64/46/634936446.db2.gz FWVGKANMMIGALM-OAHLLOKOSA-N 2 2 298.390 3.229 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cnc1Cl ZINC000841088340 635119405 /nfs/dbraw/zinc/11/94/05/635119405.db2.gz VAEOPUWZFFMASN-LSDHHAIUSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cnc1Cl ZINC000841088340 635119413 /nfs/dbraw/zinc/11/94/13/635119413.db2.gz VAEOPUWZFFMASN-LSDHHAIUSA-N 2 2 293.842 3.007 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000877689306 635147977 /nfs/dbraw/zinc/14/79/77/635147977.db2.gz DSAFPFIIAOTHKE-UHFFFAOYSA-N 2 2 288.435 3.023 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130135 635918965 /nfs/dbraw/zinc/91/89/65/635918965.db2.gz COFCOFUCKKUJTP-DLBZAZTESA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130135 635918972 /nfs/dbraw/zinc/91/89/72/635918972.db2.gz COFCOFUCKKUJTP-DLBZAZTESA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000880130135 635918977 /nfs/dbraw/zinc/91/89/77/635918977.db2.gz COFCOFUCKKUJTP-DLBZAZTESA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000880130135 635918983 /nfs/dbraw/zinc/91/89/83/635918983.db2.gz COFCOFUCKKUJTP-DLBZAZTESA-N 2 2 292.854 3.441 20 0 CGADLP C1=C[C@H]([N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203804 635936507 /nfs/dbraw/zinc/93/65/07/635936507.db2.gz GYHFNRLEDGCOAA-MSOLQXFVSA-N 2 2 292.467 3.108 20 0 CGADLP C1=C[C@H]([N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203804 635936510 /nfs/dbraw/zinc/93/65/10/635936510.db2.gz GYHFNRLEDGCOAA-MSOLQXFVSA-N 2 2 292.467 3.108 20 0 CGADLP COc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1C ZINC000880475229 636007920 /nfs/dbraw/zinc/00/79/20/636007920.db2.gz SNVRBIVVKWXMNH-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000128834346 636079657 /nfs/dbraw/zinc/07/96/57/636079657.db2.gz VISLPKCKOGFFFO-GDBMZVCRSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000128834346 636079660 /nfs/dbraw/zinc/07/96/60/636079660.db2.gz VISLPKCKOGFFFO-GDBMZVCRSA-N 2 2 273.424 3.181 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121640 636175567 /nfs/dbraw/zinc/17/55/67/636175567.db2.gz JFWOXUMUSSSUGT-RISCZKNCSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121640 636175587 /nfs/dbraw/zinc/17/55/87/636175587.db2.gz JFWOXUMUSSSUGT-RISCZKNCSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000850424909 637056771 /nfs/dbraw/zinc/05/67/71/637056771.db2.gz IKYZSVIXUIYZPY-HNNXBMFYSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438043 637063085 /nfs/dbraw/zinc/06/30/85/637063085.db2.gz CEGASKZIBZLNAT-HUUCEWRRSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000850438043 637063090 /nfs/dbraw/zinc/06/30/90/637063090.db2.gz CEGASKZIBZLNAT-HUUCEWRRSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885923046 637313608 /nfs/dbraw/zinc/31/36/08/637313608.db2.gz OMIOJVWRVDIODU-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885923046 637313612 /nfs/dbraw/zinc/31/36/12/637313612.db2.gz OMIOJVWRVDIODU-IRXDYDNUSA-N 2 2 294.483 3.332 20 0 CGADLP C(C[N@@H+]1CCCC2(CCCC2)CC1)[NH+]1CCCC1 ZINC000852354766 637641614 /nfs/dbraw/zinc/64/16/14/637641614.db2.gz UFZWBQZTKOSUBM-UHFFFAOYSA-N 2 2 250.430 3.129 20 0 CGADLP C(C[N@H+]1CCCC2(CCCC2)CC1)[NH+]1CCCC1 ZINC000852354766 637641619 /nfs/dbraw/zinc/64/16/19/637641619.db2.gz UFZWBQZTKOSUBM-UHFFFAOYSA-N 2 2 250.430 3.129 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000886714386 637667582 /nfs/dbraw/zinc/66/75/82/637667582.db2.gz JJBJJXUJSWZHEE-OAHLLOKOSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000221982423 637770713 /nfs/dbraw/zinc/77/07/13/637770713.db2.gz LNCYSERISAGJBZ-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000223236075 637853547 /nfs/dbraw/zinc/85/35/47/637853547.db2.gz PEBJIZPNDWTARF-QKPAOTATSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000223236075 637853551 /nfs/dbraw/zinc/85/35/51/637853551.db2.gz PEBJIZPNDWTARF-QKPAOTATSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(C)cc([C@@H]([NH2+]CCC[NH+](C)C)c2cccnc2)c1 ZINC000924537902 638355265 /nfs/dbraw/zinc/35/52/65/638355265.db2.gz CRNKUJJIQSZCTP-IBGZPJMESA-N 2 2 297.446 3.329 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCCC[C@H]1CCCO)[NH+]1CCCCC1 ZINC000924543441 638358182 /nfs/dbraw/zinc/35/81/82/638358182.db2.gz YLVUYDNPYKQFLR-IRXDYDNUSA-N 2 2 296.499 3.172 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924569597 638364194 /nfs/dbraw/zinc/36/41/94/638364194.db2.gz HZRQTLCMFIWKJM-AWEZNQCLSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000924662148 638385306 /nfs/dbraw/zinc/38/53/06/638385306.db2.gz SQVLRFRBOUDBPO-BRSBDYLESA-N 2 2 296.499 3.170 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[N@H+]1CCCC[C@H]1C ZINC000924662148 638385312 /nfs/dbraw/zinc/38/53/12/638385312.db2.gz SQVLRFRBOUDBPO-BRSBDYLESA-N 2 2 296.499 3.170 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000925049790 638442234 /nfs/dbraw/zinc/44/22/34/638442234.db2.gz BGOLCLICNRWWRH-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000925049790 638442237 /nfs/dbraw/zinc/44/22/37/638442237.db2.gz BGOLCLICNRWWRH-QZTJIDSGSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(O)cc(F)c1 ZINC000925306046 638493842 /nfs/dbraw/zinc/49/38/42/638493842.db2.gz FLFAIOISKJGNML-LBPRGKRZSA-N 2 2 294.414 3.445 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925663482 638562690 /nfs/dbraw/zinc/56/26/90/638562690.db2.gz TXBXJMVQBUYUOF-VTHUWITOSA-N 2 2 288.460 3.056 20 0 CGADLP c1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccn2)cc1 ZINC000925720214 638580053 /nfs/dbraw/zinc/58/00/53/638580053.db2.gz WNGQRFSUHREHKB-GOSISDBHSA-N 2 2 293.414 3.123 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872508 638638564 /nfs/dbraw/zinc/63/85/64/638638564.db2.gz VJKDRJUQHQGIHL-ZACQAIPSSA-N 2 2 279.387 3.193 20 0 CGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230087 638748187 /nfs/dbraw/zinc/74/81/87/638748187.db2.gz QWODNWHGPMIREE-FMKPAKJESA-N 2 2 273.424 3.313 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926523603 638781136 /nfs/dbraw/zinc/78/11/36/638781136.db2.gz GEJPUMMKGDZLDB-MCIONIFRSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926523603 638781138 /nfs/dbraw/zinc/78/11/38/638781138.db2.gz GEJPUMMKGDZLDB-MCIONIFRSA-N 2 2 272.383 3.028 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]C1CC2(C1)CCCC2)c1cccnc1 ZINC000926896422 638822891 /nfs/dbraw/zinc/82/28/91/638822891.db2.gz FRIAPMRPFKOIRM-KRWDZBQOSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109785 638843172 /nfs/dbraw/zinc/84/31/72/638843172.db2.gz NWMCIQKEEGAFKD-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927109785 638843173 /nfs/dbraw/zinc/84/31/73/638843173.db2.gz NWMCIQKEEGAFKD-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000929803889 638952691 /nfs/dbraw/zinc/95/26/91/638952691.db2.gz PSWWRTLYBHSWSZ-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP CSCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000934668778 639654321 /nfs/dbraw/zinc/65/43/21/639654321.db2.gz YQRUYBFCSKUXSS-UHFFFAOYSA-N 2 2 289.448 3.412 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC000415134960 640858875 /nfs/dbraw/zinc/85/88/75/640858875.db2.gz IMYLFTYZPRPHHT-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2ccccc12 ZINC000415134960 640858879 /nfs/dbraw/zinc/85/88/79/640858879.db2.gz IMYLFTYZPRPHHT-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415142545 640860060 /nfs/dbraw/zinc/86/00/60/640860060.db2.gz ZBOXNWTYMWRXKR-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415142545 640860064 /nfs/dbraw/zinc/86/00/64/640860064.db2.gz ZBOXNWTYMWRXKR-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1cc2ccccc2c(N2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000302078737 721893822 /nfs/dbraw/zinc/89/38/22/721893822.db2.gz XECADVAXEJXNEX-OAHLLOKOSA-N 2 2 269.392 3.074 20 0 CGADLP Cc1cc(C)[nH+]c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC001155550266 805591023 /nfs/dbraw/zinc/59/10/23/805591023.db2.gz RXFCOFFABQSFRH-WBVHZDCISA-N 2 2 267.376 3.214 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001257217386 807065047 /nfs/dbraw/zinc/06/50/47/807065047.db2.gz MRHHCYMNYGWWPH-HOCLYGCPSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001257217386 807065053 /nfs/dbraw/zinc/06/50/53/807065053.db2.gz MRHHCYMNYGWWPH-HOCLYGCPSA-N 2 2 250.430 3.124 20 0 CGADLP Cc1cc2[nH+]c(CC3CC[NH+](C)CC3)[nH]c2c(C)c1 ZINC001250551703 805688966 /nfs/dbraw/zinc/68/89/66/805688966.db2.gz VDRHEPVOLTZAQN-UHFFFAOYSA-N 2 2 257.381 3.064 20 0 CGADLP Cc1nc(N2CCC[C@H]([NH3+])[C@H]2C)cc(C2CCCCC2)[nH+]1 ZINC001157742128 805860847 /nfs/dbraw/zinc/86/08/47/805860847.db2.gz CVOLEUOFAFYZGG-DOMZBBRYSA-N 2 2 288.439 3.149 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(C(C)(C)C)[nH+]1 ZINC001157803908 805875204 /nfs/dbraw/zinc/87/52/04/805875204.db2.gz XFAZATLLQFFREJ-KBPBESRZSA-N 2 2 290.455 3.367 20 0 CGADLP Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc(C2CCCCC2)[nH+]1 ZINC001158176096 805925350 /nfs/dbraw/zinc/92/53/50/805925350.db2.gz CONUEOWJFHCJQH-CHWSQXEVSA-N 2 2 288.439 3.019 20 0 CGADLP c1c[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c(C2CC2)c1 ZINC001159365501 806086613 /nfs/dbraw/zinc/08/66/13/806086613.db2.gz GXCOBQKYDGSARF-UHFFFAOYSA-N 2 2 265.360 3.348 20 0 CGADLP Cc1cc[nH+]c(C(C)C)c1NC=CC1CC[NH2+]CC1 ZINC001159421256 806098313 /nfs/dbraw/zinc/09/83/13/806098313.db2.gz QKMBIKNCBGPJCI-YRNVUSSQSA-N 2 2 259.397 3.439 20 0 CGADLP CN(C)c1ccc(Nc2ccc(C(C)(C)C[NH3+])cc2)c[nH+]1 ZINC001159580719 806125232 /nfs/dbraw/zinc/12/52/32/806125232.db2.gz XBHDKFLALXJZCF-UHFFFAOYSA-N 2 2 284.407 3.128 20 0 CGADLP Cc1cc(Nc2ccc(OCC[NH3+])cc2)ccc1[NH+](C)C ZINC001159686722 806150811 /nfs/dbraw/zinc/15/08/11/806150811.db2.gz PTPYVSKXODQGMP-UHFFFAOYSA-N 2 2 285.391 3.142 20 0 CGADLP c1[nH]c2c(cccc2Nc2ccc([C@H]3CC[NH2+]C3)cc2)[nH+]1 ZINC001159776217 806170937 /nfs/dbraw/zinc/17/09/37/806170937.db2.gz CBDUIYDJUJNYHS-ZDUSSCGKSA-N 2 2 278.359 3.383 20 0 CGADLP CCCc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc(C)[nH+]1 ZINC001160472772 806277408 /nfs/dbraw/zinc/27/74/08/806277408.db2.gz NEULTUQBQABCRK-PHZGNYQRSA-N 2 2 288.439 3.165 20 0 CGADLP CCCc1cc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc(C)[nH+]1 ZINC001160472772 806277416 /nfs/dbraw/zinc/27/74/16/806277416.db2.gz NEULTUQBQABCRK-PHZGNYQRSA-N 2 2 288.439 3.165 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC001254229146 806373943 /nfs/dbraw/zinc/37/39/43/806373943.db2.gz HCXYUHRJKAWYHI-CQSZACIVSA-N 2 2 296.361 3.421 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001254229146 806373953 /nfs/dbraw/zinc/37/39/53/806373953.db2.gz HCXYUHRJKAWYHI-CQSZACIVSA-N 2 2 296.361 3.421 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1cc(N2CCCC2)cc[nH+]1 ZINC001161565289 806394473 /nfs/dbraw/zinc/39/44/73/806394473.db2.gz KZACNRYSDXJMEU-UHFFFAOYSA-N 2 2 285.395 3.071 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530585 806441546 /nfs/dbraw/zinc/44/15/46/806441546.db2.gz ZAORSIDYDMFLEY-ZDUSSCGKSA-N 2 2 264.800 3.140 20 0 CGADLP C[N@H+]1CCC[C@H]([NH+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530585 806441550 /nfs/dbraw/zinc/44/15/50/806441550.db2.gz ZAORSIDYDMFLEY-ZDUSSCGKSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530585 806441558 /nfs/dbraw/zinc/44/15/58/806441558.db2.gz ZAORSIDYDMFLEY-ZDUSSCGKSA-N 2 2 264.800 3.140 20 0 CGADLP C[NH+]1CCC[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CC1 ZINC001254530585 806441565 /nfs/dbraw/zinc/44/15/65/806441565.db2.gz ZAORSIDYDMFLEY-ZDUSSCGKSA-N 2 2 264.800 3.140 20 0 CGADLP C1C[NH+]2CCC1C[C@H]([NH2+]C1CCCCCCC1)C2 ZINC001254840698 806494330 /nfs/dbraw/zinc/49/43/30/806494330.db2.gz MCOJRZPKEXOJOI-INIZCTEOSA-N 2 2 250.430 3.173 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254853523 806500665 /nfs/dbraw/zinc/50/06/65/806500665.db2.gz XKXBWGCZPBAOOE-MSOLQXFVSA-N 2 2 284.447 3.180 20 0 CGADLP Cc1ccc2cc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]cc2c1 ZINC001162393455 806575001 /nfs/dbraw/zinc/57/50/01/806575001.db2.gz VKHCHXQRGZNSIU-LSDHHAIUSA-N 2 2 255.365 3.225 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1C=CCCC1 ZINC001255287668 806593999 /nfs/dbraw/zinc/59/39/99/806593999.db2.gz CAABIHSKJYXYIL-CQSZACIVSA-N 2 2 296.374 3.261 20 0 CGADLP CC1(C)C[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001255535354 806667307 /nfs/dbraw/zinc/66/73/07/806667307.db2.gz BFHBHNALIDDVBR-OAHLLOKOSA-N 2 2 285.391 3.139 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000036842695 798852097 /nfs/dbraw/zinc/85/20/97/798852097.db2.gz XLQSDQNSAICZJC-OFLPRAFFSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2C)C1 ZINC000036842695 798852105 /nfs/dbraw/zinc/85/21/05/798852105.db2.gz XLQSDQNSAICZJC-OFLPRAFFSA-N 2 2 272.436 3.315 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000037156213 798859912 /nfs/dbraw/zinc/85/99/12/798859912.db2.gz ARUXVWIMRHVSDY-HNNXBMFYSA-N 2 2 293.361 3.366 20 0 CGADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000037156066 798860268 /nfs/dbraw/zinc/86/02/68/798860268.db2.gz YKRAFBYFFYLHAQ-CQSZACIVSA-N 2 2 277.437 3.458 20 0 CGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154215 798861126 /nfs/dbraw/zinc/86/11/26/798861126.db2.gz QYOHRNFAWIUPDB-HOTGVXAUSA-N 2 2 290.451 3.177 20 0 CGADLP CC(C)C[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156547 798861845 /nfs/dbraw/zinc/86/18/45/798861845.db2.gz YQUYBOFQGQEUJN-ZIAGYGMSSA-N 2 2 251.418 3.322 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC000075860849 798923996 /nfs/dbraw/zinc/92/39/96/798923996.db2.gz ONZCKFSUJSHNBK-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC000075860849 798923999 /nfs/dbraw/zinc/92/39/99/798923999.db2.gz ONZCKFSUJSHNBK-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)nc1 ZINC000075860849 798924002 /nfs/dbraw/zinc/92/40/02/798924002.db2.gz ONZCKFSUJSHNBK-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)nc1 ZINC000075860849 798924003 /nfs/dbraw/zinc/92/40/03/798924003.db2.gz ONZCKFSUJSHNBK-CQSZACIVSA-N 2 2 281.831 3.041 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346096105 799297220 /nfs/dbraw/zinc/29/72/20/799297220.db2.gz OXKLXWIYJQYUKD-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC000346096105 799297225 /nfs/dbraw/zinc/29/72/25/799297225.db2.gz OXKLXWIYJQYUKD-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP Clc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000378996545 799346447 /nfs/dbraw/zinc/34/64/47/799346447.db2.gz NZILBXWNZQGOCS-LLVKDONJSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cs1 ZINC000378996545 799346452 /nfs/dbraw/zinc/34/64/52/799346452.db2.gz NZILBXWNZQGOCS-LLVKDONJSA-N 2 2 284.856 3.366 20 0 CGADLP CSC(C)(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000385314151 799424943 /nfs/dbraw/zinc/42/49/43/799424943.db2.gz OIDOZRGKVLIUNF-ZDUSSCGKSA-N 2 2 283.485 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594666 799471568 /nfs/dbraw/zinc/47/15/68/799471568.db2.gz SCIDFBBCHRPFOY-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594666 799471569 /nfs/dbraw/zinc/47/15/69/799471569.db2.gz SCIDFBBCHRPFOY-PVAVHDDUSA-N 2 2 258.409 3.039 20 0 CGADLP CC[N@H+]([C@@H](C)Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001255791196 806754291 /nfs/dbraw/zinc/75/42/91/806754291.db2.gz BCDKFPSHTSXVFI-INIZCTEOSA-N 2 2 274.452 3.342 20 0 CGADLP CC[N@@H+]([C@@H](C)Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001255791196 806754296 /nfs/dbraw/zinc/75/42/96/806754296.db2.gz BCDKFPSHTSXVFI-INIZCTEOSA-N 2 2 274.452 3.342 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001255836182 806761740 /nfs/dbraw/zinc/76/17/40/806761740.db2.gz MTRDCJMHXRJLMS-HZPDHXFCSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000705210393 799945923 /nfs/dbraw/zinc/94/59/23/799945923.db2.gz CDCWVKVDNMFDKV-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000705210393 799945933 /nfs/dbraw/zinc/94/59/33/799945933.db2.gz CDCWVKVDNMFDKV-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP CSC1CC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000708321867 799985954 /nfs/dbraw/zinc/98/59/54/799985954.db2.gz WJSPQGYUFBHHJQ-XEBKBJJBSA-N 2 2 287.432 3.417 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(F)cc1OC ZINC001255948019 806793667 /nfs/dbraw/zinc/79/36/67/806793667.db2.gz CNYQFKDNRIFTSF-CYBMUJFWSA-N 2 2 282.403 3.044 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000711709023 800069223 /nfs/dbraw/zinc/06/92/23/800069223.db2.gz JQEBOUACSKAVHR-HUUCEWRRSA-N 2 2 267.376 3.489 20 0 CGADLP Clc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000719439015 800239711 /nfs/dbraw/zinc/23/97/11/800239711.db2.gz CSGPKTYNXHURQB-QJPTWQEYSA-N 2 2 299.871 3.197 20 0 CGADLP Clc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000719439018 800240093 /nfs/dbraw/zinc/24/00/93/800240093.db2.gz CSGPKTYNXHURQB-SDDRHHMPSA-N 2 2 299.871 3.197 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719596908 800244293 /nfs/dbraw/zinc/24/42/93/800244293.db2.gz XHXNPSCRCKLUCK-CHWSQXEVSA-N 2 2 293.480 3.032 20 0 CGADLP CCCCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640621 800299418 /nfs/dbraw/zinc/29/94/18/800299418.db2.gz LFSOUINGIDEMSR-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP CCCCC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640621 800299421 /nfs/dbraw/zinc/29/94/21/800299421.db2.gz LFSOUINGIDEMSR-WMLDXEAASA-N 2 2 260.425 3.341 20 0 CGADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256107203 806820672 /nfs/dbraw/zinc/82/06/72/806820672.db2.gz NUTLGEWROIVJSE-JKSUJKDBSA-N 2 2 269.392 3.283 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+]C(C2CCC2)C2CCC2)n1 ZINC000722406177 800322869 /nfs/dbraw/zinc/32/28/69/800322869.db2.gz DSCRXYOZUCROND-UHFFFAOYSA-N 2 2 293.480 3.263 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC001256194719 806847355 /nfs/dbraw/zinc/84/73/55/806847355.db2.gz LBEMWJSAHQKBFZ-LJQANCHMSA-N 2 2 295.430 3.163 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC001256199577 806847485 /nfs/dbraw/zinc/84/74/85/806847485.db2.gz FBTIDVMAGKCUIS-OAHLLOKOSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256208302 806849079 /nfs/dbraw/zinc/84/90/79/806849079.db2.gz DOXMDCBZNVBXBX-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256208302 806849085 /nfs/dbraw/zinc/84/90/85/806849085.db2.gz DOXMDCBZNVBXBX-GFCCVEGCSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256211240 806851169 /nfs/dbraw/zinc/85/11/69/806851169.db2.gz SLBSNEHVKKNPIX-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256211240 806851175 /nfs/dbraw/zinc/85/11/75/806851175.db2.gz SLBSNEHVKKNPIX-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP C[NH+](C)Cc1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC001163988952 806869846 /nfs/dbraw/zinc/86/98/46/806869846.db2.gz XDGOQSBECHPUPI-UHFFFAOYSA-N 2 2 280.375 3.237 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCC[C@@H]2CF)CC[N@@H+]1Cc1ccccc1 ZINC001256557226 806914456 /nfs/dbraw/zinc/91/44/56/806914456.db2.gz KSAJVFKBGNCCOI-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCC[C@@H]2CF)CC[N@H+]1Cc1ccccc1 ZINC001256557226 806914460 /nfs/dbraw/zinc/91/44/60/806914460.db2.gz KSAJVFKBGNCCOI-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557226 806914466 /nfs/dbraw/zinc/91/44/66/806914466.db2.gz KSAJVFKBGNCCOI-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2CF)CC[NH+]1Cc1ccccc1 ZINC001256557226 806914473 /nfs/dbraw/zinc/91/44/73/806914473.db2.gz KSAJVFKBGNCCOI-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP CC1(C)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610270 806925014 /nfs/dbraw/zinc/92/50/14/806925014.db2.gz AYJPCURXMVXQFD-UHFFFAOYSA-N 2 2 272.436 3.383 20 0 CGADLP CC1(C)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610270 806925017 /nfs/dbraw/zinc/92/50/17/806925017.db2.gz AYJPCURXMVXQFD-UHFFFAOYSA-N 2 2 272.436 3.383 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001165069323 806968290 /nfs/dbraw/zinc/96/82/90/806968290.db2.gz AIIQVSWXGNTIDW-UHFFFAOYSA-N 2 2 295.858 3.386 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001165069323 806968295 /nfs/dbraw/zinc/96/82/95/806968295.db2.gz AIIQVSWXGNTIDW-UHFFFAOYSA-N 2 2 295.858 3.386 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C\C3CC3)CC2)cc1 ZINC001117745417 802485815 /nfs/dbraw/zinc/48/58/15/802485815.db2.gz NMFPDZRACHWLIV-ARJAWSKDSA-N 2 2 299.462 3.277 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001184265677 810186940 /nfs/dbraw/zinc/18/69/40/810186940.db2.gz VFDFWLFHZJOXLN-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001184265677 810186944 /nfs/dbraw/zinc/18/69/44/810186944.db2.gz VFDFWLFHZJOXLN-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP c1ccc2cc(N3CCCCC34CC[NH2+]CC4)[nH+]cc2c1 ZINC001165335734 806997303 /nfs/dbraw/zinc/99/73/03/806997303.db2.gz UYMACRNJKOOGDC-UHFFFAOYSA-N 2 2 281.403 3.347 20 0 CGADLP CCC1CCC([NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC001256875352 806998892 /nfs/dbraw/zinc/99/88/92/806998892.db2.gz VSOSTZCAVVDVQO-UHFFFAOYSA-N 3 2 297.531 3.161 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243897108 803067493 /nfs/dbraw/zinc/06/74/93/803067493.db2.gz OHKXJTYSYBDDIR-AATRIKPKSA-N 2 2 267.376 3.100 20 0 CGADLP C[N@@H+]1CCc2oc(-c3ccc(C4=C[NH2+]CCC4)cc3)nc2C1 ZINC001243953896 803098897 /nfs/dbraw/zinc/09/88/97/803098897.db2.gz OEFNNGIOAKKHHG-UHFFFAOYSA-N 2 2 295.386 3.054 20 0 CGADLP C[N@H+]1CCc2oc(-c3ccc(C4=C[NH2+]CCC4)cc3)nc2C1 ZINC001243953896 803098901 /nfs/dbraw/zinc/09/89/01/803098901.db2.gz OEFNNGIOAKKHHG-UHFFFAOYSA-N 2 2 295.386 3.054 20 0 CGADLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1N ZINC001244308621 803290852 /nfs/dbraw/zinc/29/08/52/803290852.db2.gz KATSKGQTNATTGX-SFHVURJKSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1N ZINC001244308621 803290860 /nfs/dbraw/zinc/29/08/60/803290860.db2.gz KATSKGQTNATTGX-SFHVURJKSA-N 2 2 295.430 3.031 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001244861446 803552976 /nfs/dbraw/zinc/55/29/76/803552976.db2.gz FUKIKFRSNWOFAM-UHFFFAOYSA-N 2 2 295.361 3.457 20 0 CGADLP CNc1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001244973781 803599537 /nfs/dbraw/zinc/59/95/37/803599537.db2.gz QZVKVVMEEJUVSF-UHFFFAOYSA-N 2 2 267.376 3.257 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137376652 803725073 /nfs/dbraw/zinc/72/50/73/803725073.db2.gz LPINQOCEYCCNFO-UHFFFAOYSA-N 2 2 277.456 3.230 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137376652 803725077 /nfs/dbraw/zinc/72/50/77/803725077.db2.gz LPINQOCEYCCNFO-UHFFFAOYSA-N 2 2 277.456 3.230 20 0 CGADLP CCc1cccc2c(C[N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c21 ZINC001138364457 803906830 /nfs/dbraw/zinc/90/68/30/803906830.db2.gz RHIAUQNYDOFCRG-YJBOKZPZSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)c[nH]c21 ZINC001138364457 803906832 /nfs/dbraw/zinc/90/68/32/803906832.db2.gz RHIAUQNYDOFCRG-YJBOKZPZSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c[nH]c21 ZINC001138364457 803906840 /nfs/dbraw/zinc/90/68/40/803906840.db2.gz RHIAUQNYDOFCRG-YJBOKZPZSA-N 2 2 297.446 3.256 20 0 CGADLP CCc1cccc2c(C[NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)c[nH]c21 ZINC001138364457 803906846 /nfs/dbraw/zinc/90/68/46/803906846.db2.gz RHIAUQNYDOFCRG-YJBOKZPZSA-N 2 2 297.446 3.256 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246077851 804116465 /nfs/dbraw/zinc/11/64/65/804116465.db2.gz UIJKISABSZXVKY-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246079279 804117822 /nfs/dbraw/zinc/11/78/22/804117822.db2.gz JQHZQPSFNGVDLZ-ZNMIVQPWSA-N 2 2 278.465 3.206 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246093020 804125014 /nfs/dbraw/zinc/12/50/14/804125014.db2.gz UKKSHQZYFFIPDP-KKUMJFAQSA-N 2 2 258.425 3.415 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246109151 804141831 /nfs/dbraw/zinc/14/18/31/804141831.db2.gz KIOUJMIIQXALFD-HIFRSBDPSA-N 2 2 268.420 3.169 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246111527 804142460 /nfs/dbraw/zinc/14/24/60/804142460.db2.gz PGPAQBOBLFPQPY-DGCLKSJQSA-N 2 2 284.856 3.162 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@]2(F)CCCC[NH2+]C2)cc1 ZINC001246114569 804146948 /nfs/dbraw/zinc/14/69/48/804146948.db2.gz QADMHOIOYLIWER-AEFFLSMTSA-N 2 2 292.442 3.388 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC1 ZINC001246151347 804171237 /nfs/dbraw/zinc/17/12/37/804171237.db2.gz QDASDMJSIKTNQO-LMNGEROHSA-N 2 2 294.483 3.090 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC001139356154 804180944 /nfs/dbraw/zinc/18/09/44/804180944.db2.gz FZXOVSCUJCWCIZ-DLBZAZTESA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC001139356154 804180952 /nfs/dbraw/zinc/18/09/52/804180952.db2.gz FZXOVSCUJCWCIZ-DLBZAZTESA-N 2 2 281.403 3.494 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C[C@@H]1C ZINC001246172700 804188193 /nfs/dbraw/zinc/18/81/93/804188193.db2.gz WKMOKTHJEUKLDS-VYDXJSESSA-N 2 2 260.425 3.191 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C[C@@H]1C ZINC001246172697 804188296 /nfs/dbraw/zinc/18/82/96/804188296.db2.gz WKMOKTHJEUKLDS-HLLBOEOZSA-N 2 2 260.425 3.191 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246206721 804206918 /nfs/dbraw/zinc/20/69/18/804206918.db2.gz SASCRHBIVFQOSG-YESZJQIVSA-N 2 2 278.415 3.078 20 0 CGADLP c1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC001246230497 804223656 /nfs/dbraw/zinc/22/36/56/804223656.db2.gz MYLQJQITTQYNIN-MRXNPFEDSA-N 2 2 258.409 3.188 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246274529 804251568 /nfs/dbraw/zinc/25/15/68/804251568.db2.gz XCENPFFUUVOTDS-JTQLQIEISA-N 2 2 275.223 3.124 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246279169 804254422 /nfs/dbraw/zinc/25/44/22/804254422.db2.gz KUNGJYBZVLQSHI-PBHICJAKSA-N 2 2 286.806 3.097 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC001246280047 804256557 /nfs/dbraw/zinc/25/65/57/804256557.db2.gz QDSPQDDIFROXNB-KXBFYZLASA-N 2 2 282.431 3.470 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246294382 804263757 /nfs/dbraw/zinc/26/37/57/804263757.db2.gz WNTJHWJJIDXXIH-CVEARBPZSA-N 2 2 264.388 3.255 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2cccc(Cl)c2)C[NH2+]1 ZINC001246312535 804274050 /nfs/dbraw/zinc/27/40/50/804274050.db2.gz SKLSGEGKVWCYBD-RISCZKNCSA-N 2 2 266.816 3.305 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246324605 804282123 /nfs/dbraw/zinc/28/21/23/804282123.db2.gz GBNJMARBDSWCFA-IUODEOHRSA-N 2 2 296.455 3.284 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246347435 804298751 /nfs/dbraw/zinc/29/87/51/804298751.db2.gz PNYDDCRBUONOHO-OBCWZRDOSA-N 2 2 296.867 3.303 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]CC[NH2+]C(C)C)cc1 ZINC001246453428 804336479 /nfs/dbraw/zinc/33/64/79/804336479.db2.gz OAPPSAHCEBWVNE-AWEZNQCLSA-N 2 2 266.454 3.063 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(C)c1C ZINC001246476811 804353454 /nfs/dbraw/zinc/35/34/54/804353454.db2.gz VOEIUPFIICPRSC-YSVLISHTSA-N 2 2 260.425 3.485 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029208 804356159 /nfs/dbraw/zinc/35/61/59/804356159.db2.gz JINCRQUZIWIGDM-OAHLLOKOSA-N 2 2 269.392 3.413 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029208 804356152 /nfs/dbraw/zinc/35/61/52/804356152.db2.gz JINCRQUZIWIGDM-OAHLLOKOSA-N 2 2 269.392 3.413 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+]C2CCC(C)(C)CC2)c1 ZINC001246509421 804366546 /nfs/dbraw/zinc/36/65/46/804366546.db2.gz HTOLTMAYAFELAF-INIZCTEOSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538124 804387377 /nfs/dbraw/zinc/38/73/77/804387377.db2.gz GLYCEMVYPHDADJ-CZUORRHYSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538124 804387386 /nfs/dbraw/zinc/38/73/86/804387386.db2.gz GLYCEMVYPHDADJ-CZUORRHYSA-N 2 2 278.827 3.011 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246539853 804388249 /nfs/dbraw/zinc/38/82/49/804388249.db2.gz SFJGARPNIQQIIQ-OAHLLOKOSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246539853 804388255 /nfs/dbraw/zinc/38/82/55/804388255.db2.gz SFJGARPNIQQIIQ-OAHLLOKOSA-N 2 2 278.827 3.229 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246561786 804409385 /nfs/dbraw/zinc/40/93/85/804409385.db2.gz LSVWMVKIJUEASW-JKSUJKDBSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246561786 804409391 /nfs/dbraw/zinc/40/93/91/804409391.db2.gz LSVWMVKIJUEASW-JKSUJKDBSA-N 2 2 262.372 3.105 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246569884 804417560 /nfs/dbraw/zinc/41/75/60/804417560.db2.gz GAXBEZBRHRCSIW-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246569884 804417568 /nfs/dbraw/zinc/41/75/68/804417568.db2.gz GAXBEZBRHRCSIW-RYUDHWBXSA-N 2 2 284.806 3.094 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246573496 804421343 /nfs/dbraw/zinc/42/13/43/804421343.db2.gz CYTPJTFFBZLLMJ-WBVHZDCISA-N 2 2 278.415 3.079 20 0 CGADLP Cc1ccc(C[C@@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246573496 804421346 /nfs/dbraw/zinc/42/13/46/804421346.db2.gz CYTPJTFFBZLLMJ-WBVHZDCISA-N 2 2 278.415 3.079 20 0 CGADLP CC[C@@H]1CC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246587203 804430409 /nfs/dbraw/zinc/43/04/09/804430409.db2.gz GBQGBDLZOUHDOO-BZPMIXESSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1CC([N@H+]2CCCC(F)(F)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246587203 804430413 /nfs/dbraw/zinc/43/04/13/804430413.db2.gz GBQGBDLZOUHDOO-BZPMIXESSA-N 2 2 292.389 3.365 20 0 CGADLP C1[NH2+][C@@H]2CC[N@@H+](C3CCC4(CCCCC4)CC3)C[C@H]12 ZINC001246631538 804462813 /nfs/dbraw/zinc/46/28/13/804462813.db2.gz QPAXELQCGXFPPL-GOEBONIOSA-N 2 2 262.441 3.173 20 0 CGADLP C1[NH2+][C@@H]2CC[N@H+](C3CCC4(CCCCC4)CC3)C[C@H]12 ZINC001246631538 804462815 /nfs/dbraw/zinc/46/28/15/804462815.db2.gz QPAXELQCGXFPPL-GOEBONIOSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@@H]1CC([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246648658 804476047 /nfs/dbraw/zinc/47/60/47/804476047.db2.gz RKDISCFDMFVWIU-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC([N@H+]2CCCCC23CC[NH2+]CC3)C[C@@H](C)C1 ZINC001246648658 804476050 /nfs/dbraw/zinc/47/60/50/804476050.db2.gz RKDISCFDMFVWIU-GJZGRUSLSA-N 2 2 264.457 3.419 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCCC34CC[NH2+]CC4)C[C@@H]21 ZINC001246649426 804477355 /nfs/dbraw/zinc/47/73/55/804477355.db2.gz ZAQZQKHKKZTLAC-QKDCVEJESA-N 2 2 262.441 3.029 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCCC34CC[NH2+]CC4)C[C@@H]21 ZINC001246649426 804477356 /nfs/dbraw/zinc/47/73/56/804477356.db2.gz ZAQZQKHKKZTLAC-QKDCVEJESA-N 2 2 262.441 3.029 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001140802118 804519948 /nfs/dbraw/zinc/51/99/48/804519948.db2.gz NTBLNVYLZQFEGN-CHWSQXEVSA-N 2 2 255.365 3.185 20 0 CGADLP COc1cccc2c1C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802221 804521476 /nfs/dbraw/zinc/52/14/76/804521476.db2.gz QYVNMVHYBXDHTN-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP COc1cccc2c1C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802221 804521482 /nfs/dbraw/zinc/52/14/82/804521482.db2.gz QYVNMVHYBXDHTN-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246807690 804524825 /nfs/dbraw/zinc/52/48/25/804524825.db2.gz PJRVKQMQXRUYKB-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2[C@H]2CCCC[NH2+]C2)c1 ZINC001246807690 804524829 /nfs/dbraw/zinc/52/48/29/804524829.db2.gz PJRVKQMQXRUYKB-FUHWJXTLSA-N 2 2 288.435 3.364 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819538 804533553 /nfs/dbraw/zinc/53/35/53/804533553.db2.gz JOFARLUDKXLRIU-FPCVCCKLSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC001246819538 804533557 /nfs/dbraw/zinc/53/35/57/804533557.db2.gz JOFARLUDKXLRIU-FPCVCCKLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246823125 804536824 /nfs/dbraw/zinc/53/68/24/804536824.db2.gz NJXSJKGDPLYYNL-BNOWGMLFSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246823125 804536827 /nfs/dbraw/zinc/53/68/27/804536827.db2.gz NJXSJKGDPLYYNL-BNOWGMLFSA-N 2 2 278.827 3.009 20 0 CGADLP CC1(C)C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844706 804554683 /nfs/dbraw/zinc/55/46/83/804554683.db2.gz BSUCEGZNSISQHL-CYBMUJFWSA-N 2 2 278.827 3.229 20 0 CGADLP CC1(C)C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246844706 804554688 /nfs/dbraw/zinc/55/46/88/804554688.db2.gz BSUCEGZNSISQHL-CYBMUJFWSA-N 2 2 278.827 3.229 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001246864281 804567785 /nfs/dbraw/zinc/56/77/85/804567785.db2.gz SSWSETVLOKPJPC-SOUVJXGZSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001246864281 804567787 /nfs/dbraw/zinc/56/77/87/804567787.db2.gz SSWSETVLOKPJPC-SOUVJXGZSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001246866364 804568789 /nfs/dbraw/zinc/56/87/89/804568789.db2.gz JNIXRWIEWHPCLS-JYJNAYRXSA-N 2 2 290.476 3.159 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001246866364 804568790 /nfs/dbraw/zinc/56/87/90/804568790.db2.gz JNIXRWIEWHPCLS-JYJNAYRXSA-N 2 2 290.476 3.159 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC001246884006 804580312 /nfs/dbraw/zinc/58/03/12/804580312.db2.gz QRNBLFWFTCXJRX-KSSFIOAISA-N 2 2 290.426 3.221 20 0 CGADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001246887403 804581025 /nfs/dbraw/zinc/58/10/25/804581025.db2.gz ORQMHRGXXAZYDJ-NHYWBVRUSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001246887403 804581031 /nfs/dbraw/zinc/58/10/31/804581031.db2.gz ORQMHRGXXAZYDJ-NHYWBVRUSA-N 2 2 268.351 3.100 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246911646 804594621 /nfs/dbraw/zinc/59/46/21/804594621.db2.gz VTZCXYIKXBVTEH-FICVDOATSA-N 2 2 294.389 3.460 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246911646 804594622 /nfs/dbraw/zinc/59/46/22/804594622.db2.gz VTZCXYIKXBVTEH-FICVDOATSA-N 2 2 294.389 3.460 20 0 CGADLP CC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246939933 804610367 /nfs/dbraw/zinc/61/03/67/804610367.db2.gz WAULECSSCXVZRY-XJKSGUPXSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246939933 804610369 /nfs/dbraw/zinc/61/03/69/804610369.db2.gz WAULECSSCXVZRY-XJKSGUPXSA-N 2 2 264.388 3.178 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947119 804613554 /nfs/dbraw/zinc/61/35/54/804613554.db2.gz VLUZNEXNZBDNAU-IRXDYDNUSA-N 2 2 278.415 3.017 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947119 804613555 /nfs/dbraw/zinc/61/35/55/804613555.db2.gz VLUZNEXNZBDNAU-IRXDYDNUSA-N 2 2 278.415 3.017 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965355 804619171 /nfs/dbraw/zinc/61/91/71/804619171.db2.gz UNEQTVSZQSKSRC-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246965355 804619175 /nfs/dbraw/zinc/61/91/75/804619175.db2.gz UNEQTVSZQSKSRC-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc[nH+]c1Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001248403520 804929962 /nfs/dbraw/zinc/92/99/62/804929962.db2.gz LVAWSHPBEWWXTK-UHFFFAOYSA-N 2 2 285.391 3.464 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(O)c2C)C1 ZINC001144120776 804939569 /nfs/dbraw/zinc/93/95/69/804939569.db2.gz TUKDXCYKOXKACY-MRXNPFEDSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(O)c2C)C1 ZINC001144120776 804939571 /nfs/dbraw/zinc/93/95/71/804939571.db2.gz TUKDXCYKOXKACY-MRXNPFEDSA-N 2 2 298.386 3.057 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2scnc2c1 ZINC001144744174 805051400 /nfs/dbraw/zinc/05/14/00/805051400.db2.gz MPNUAZVMEATBCD-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2scnc2c1 ZINC001144744174 805051412 /nfs/dbraw/zinc/05/14/12/805051412.db2.gz MPNUAZVMEATBCD-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2ccccc2c[nH+]1 ZINC001155019912 805524236 /nfs/dbraw/zinc/52/42/36/805524236.db2.gz GPDKQIDBGMVBLN-DZGCQCFKSA-N 2 2 269.392 3.282 20 0 CGADLP C[N@@H+]1CCC[C@@H](CCNc2[nH+]cccc2-n2cccc2)C1 ZINC001165261999 806983123 /nfs/dbraw/zinc/98/31/23/806983123.db2.gz VOHOEWLQLDTUAF-HNNXBMFYSA-N 2 2 284.407 3.016 20 0 CGADLP C[N@H+]1CCC[C@@H](CCNc2[nH+]cccc2-n2cccc2)C1 ZINC001165261999 806983129 /nfs/dbraw/zinc/98/31/29/806983129.db2.gz VOHOEWLQLDTUAF-HNNXBMFYSA-N 2 2 284.407 3.016 20 0 CGADLP CCC(CC)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001257290838 807087524 /nfs/dbraw/zinc/08/75/24/807087524.db2.gz IVQPUPBBODZKJT-SFHVURJKSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@H](C)CC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257462896 807168107 /nfs/dbraw/zinc/16/81/07/807168107.db2.gz GRUPNDUCZIJMKL-STQMWFEESA-N 2 2 251.418 3.470 20 0 CGADLP Cc1c(F)ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1F ZINC001258007462 807265491 /nfs/dbraw/zinc/26/54/91/807265491.db2.gz YBJVASCDWFSOEC-UHFFFAOYSA-N 2 2 296.405 3.483 20 0 CGADLP Cc1[nH+]cn(C2C[C@@H](C)C[C@H](C)C2)c1CSCC[NH3+] ZINC001258152801 807323222 /nfs/dbraw/zinc/32/32/22/807323222.db2.gz CAYGWXFCNQLCEO-RYUDHWBXSA-N 2 2 281.469 3.381 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258157053 807325621 /nfs/dbraw/zinc/32/56/21/807325621.db2.gz YPOKKDTWINHZSU-KFWWJZLASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258157053 807325630 /nfs/dbraw/zinc/32/56/30/807325630.db2.gz YPOKKDTWINHZSU-KFWWJZLASA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H](Cc1ccco1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181695 807346450 /nfs/dbraw/zinc/34/64/50/807346450.db2.gz GIEOGPWMFXKVOK-JYJNAYRXSA-N 2 2 299.418 3.382 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001168211756 807351284 /nfs/dbraw/zinc/35/12/84/807351284.db2.gz IHTNAMOEHBHLJN-KNCVXQGMSA-N 2 2 299.462 3.024 20 0 CGADLP CC[NH+](CC)C[C@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC001258241987 807384695 /nfs/dbraw/zinc/38/46/95/807384695.db2.gz PLNNFESEVPXZJM-KRWDZBQOSA-N 2 2 282.472 3.142 20 0 CGADLP CC[NH+](CC)C[C@H]1C[N@H+](C2CCCCCCC2)CCO1 ZINC001258241987 807384705 /nfs/dbraw/zinc/38/47/05/807384705.db2.gz PLNNFESEVPXZJM-KRWDZBQOSA-N 2 2 282.472 3.142 20 0 CGADLP CSC(C)(C)C[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258347138 807422569 /nfs/dbraw/zinc/42/25/69/807422569.db2.gz VPTAIKZPDZZPDS-CYBMUJFWSA-N 2 2 281.469 3.440 20 0 CGADLP CCCCC[C@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258433611 807448542 /nfs/dbraw/zinc/44/85/42/807448542.db2.gz BBKHITBCXXUWJM-AWEZNQCLSA-N 2 2 250.386 3.409 20 0 CGADLP CCCC1CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001258530904 807487004 /nfs/dbraw/zinc/48/70/04/807487004.db2.gz OOIXOLIORYGMIZ-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC1CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001258530904 807487007 /nfs/dbraw/zinc/48/70/07/807487007.db2.gz OOIXOLIORYGMIZ-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CCC1CCC(C2CCC([NH2+]C3(C[NH3+])COC3)CC2)CC1 ZINC001258631266 807518556 /nfs/dbraw/zinc/51/85/56/807518556.db2.gz FOFDKQNFJBOPST-UHFFFAOYSA-N 2 2 294.483 3.079 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690161 807546076 /nfs/dbraw/zinc/54/60/76/807546076.db2.gz PAAHIVKFIIIZNB-CWRNSKLLSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690161 807546081 /nfs/dbraw/zinc/54/60/81/807546081.db2.gz PAAHIVKFIIIZNB-CWRNSKLLSA-N 2 2 264.457 3.275 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001258701581 807556398 /nfs/dbraw/zinc/55/63/98/807556398.db2.gz KJQJTEYWINVNHZ-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001258701581 807556400 /nfs/dbraw/zinc/55/64/00/807556400.db2.gz KJQJTEYWINVNHZ-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001169099488 807575864 /nfs/dbraw/zinc/57/58/64/807575864.db2.gz SZEHZLBLBCAHOS-CLLJXQQHSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001169099488 807575869 /nfs/dbraw/zinc/57/58/69/807575869.db2.gz SZEHZLBLBCAHOS-CLLJXQQHSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001169124977 807585108 /nfs/dbraw/zinc/58/51/08/807585108.db2.gz VBRAAYZJAWNJGS-BTTYYORXSA-N 2 2 293.842 3.185 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(Cl)ccn1)C2 ZINC001169124977 807585112 /nfs/dbraw/zinc/58/51/12/807585112.db2.gz VBRAAYZJAWNJGS-BTTYYORXSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258746070 807591050 /nfs/dbraw/zinc/59/10/50/807591050.db2.gz ZLXSOTQUCYBJAS-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258746070 807591053 /nfs/dbraw/zinc/59/10/53/807591053.db2.gz ZLXSOTQUCYBJAS-CYBMUJFWSA-N 2 2 280.843 3.297 20 0 CGADLP COc1cc[nH+]cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169149395 807594436 /nfs/dbraw/zinc/59/44/36/807594436.db2.gz ZNTNWRLXWMRXRG-LRDDRELGSA-N 2 2 277.412 3.046 20 0 CGADLP COc1cc[nH+]cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169149396 807594754 /nfs/dbraw/zinc/59/47/54/807594754.db2.gz ZNTNWRLXWMRXRG-MLGOLLRUSA-N 2 2 277.412 3.046 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258766895 807602361 /nfs/dbraw/zinc/60/23/61/807602361.db2.gz NNRYJBFFTKPQJM-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258766895 807602365 /nfs/dbraw/zinc/60/23/65/807602365.db2.gz NNRYJBFFTKPQJM-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258766895 807602370 /nfs/dbraw/zinc/60/23/70/807602370.db2.gz NNRYJBFFTKPQJM-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@H](CCC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258766895 807602373 /nfs/dbraw/zinc/60/23/73/807602373.db2.gz NNRYJBFFTKPQJM-HRCADAONSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258796114 807617907 /nfs/dbraw/zinc/61/79/07/807617907.db2.gz XHMCWQJVKGPKPA-ROUUACIJSA-N 3 2 299.547 3.407 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258797387 807619180 /nfs/dbraw/zinc/61/91/80/807619180.db2.gz MHENJNKJVUYORM-CABCVRRESA-N 2 2 251.418 3.420 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258797387 807619181 /nfs/dbraw/zinc/61/91/81/807619181.db2.gz MHENJNKJVUYORM-CABCVRRESA-N 2 2 251.418 3.420 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258810033 807629134 /nfs/dbraw/zinc/62/91/34/807629134.db2.gz GXUGDFHWDASFIT-NVXWUHKLSA-N 2 2 287.451 3.466 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258851009 807659044 /nfs/dbraw/zinc/65/90/44/807659044.db2.gz BSJHGONZSSGGJH-RCCFBDPRSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258851009 807659050 /nfs/dbraw/zinc/65/90/50/807659050.db2.gz BSJHGONZSSGGJH-RCCFBDPRSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258851009 807659053 /nfs/dbraw/zinc/65/90/53/807659053.db2.gz BSJHGONZSSGGJH-RCCFBDPRSA-N 2 2 272.436 3.034 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258851009 807659060 /nfs/dbraw/zinc/65/90/60/807659060.db2.gz BSJHGONZSSGGJH-RCCFBDPRSA-N 2 2 272.436 3.034 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001258899525 807668568 /nfs/dbraw/zinc/66/85/68/807668568.db2.gz AXRUPCPJGYUKPE-MSOLQXFVSA-N 3 2 297.531 3.207 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001170072217 807747649 /nfs/dbraw/zinc/74/76/49/807747649.db2.gz ZBKWRRNAZKCOHI-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001170072217 807747653 /nfs/dbraw/zinc/74/76/53/807747653.db2.gz ZBKWRRNAZKCOHI-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001170260365 807807812 /nfs/dbraw/zinc/80/78/12/807807812.db2.gz JCPKFPXHAOJSMT-ZFWWWQNUSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001170260365 807807821 /nfs/dbraw/zinc/80/78/21/807807821.db2.gz JCPKFPXHAOJSMT-ZFWWWQNUSA-N 2 2 292.854 3.487 20 0 CGADLP COc1cc[nH+]cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170450926 807845320 /nfs/dbraw/zinc/84/53/20/807845320.db2.gz OEKZNCIHJYPUHT-UHFFFAOYSA-N 2 2 277.412 3.154 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660141 807870311 /nfs/dbraw/zinc/87/03/11/807870311.db2.gz TVLPJBZUZUZWST-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170660141 807870318 /nfs/dbraw/zinc/87/03/18/807870318.db2.gz TVLPJBZUZUZWST-HNNXBMFYSA-N 2 2 296.405 3.144 20 0 CGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171095808 807983107 /nfs/dbraw/zinc/98/31/07/807983107.db2.gz RJTJQCFQKPSJIK-GUYCJALGSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1[nH]c2ccc(-n3c(CC[NH3+])cc4ccccc43)cc2[nH+]1 ZINC001171304376 808023373 /nfs/dbraw/zinc/02/33/73/808023373.db2.gz JCXGHUHAFZCEQC-UHFFFAOYSA-N 2 2 290.370 3.316 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001171654513 808112821 /nfs/dbraw/zinc/11/28/21/808112821.db2.gz VNRMSDHVTUPWMS-QGZVFWFLSA-N 2 2 274.452 3.392 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(F)c1F)C2 ZINC001172102272 808174398 /nfs/dbraw/zinc/17/43/98/808174398.db2.gz LOTZBSNFWPGPNV-ZSBIGDGJSA-N 2 2 298.352 3.209 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(F)c1F)C2 ZINC001172102272 808174401 /nfs/dbraw/zinc/17/44/01/808174401.db2.gz LOTZBSNFWPGPNV-ZSBIGDGJSA-N 2 2 298.352 3.209 20 0 CGADLP C[N@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131005 808186451 /nfs/dbraw/zinc/18/64/51/808186451.db2.gz SSEWZDNSCSKWCQ-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131005 808186454 /nfs/dbraw/zinc/18/64/54/808186454.db2.gz SSEWZDNSCSKWCQ-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131005 808186460 /nfs/dbraw/zinc/18/64/60/808186460.db2.gz SSEWZDNSCSKWCQ-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP C[NH+](Cc1cccc(F)c1F)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131005 808186464 /nfs/dbraw/zinc/18/64/64/808186464.db2.gz SSEWZDNSCSKWCQ-FICVDOATSA-N 2 2 294.389 3.412 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172324401 808232658 /nfs/dbraw/zinc/23/26/58/808232658.db2.gz MIEIOUMPIHYKEP-IKGGRYGDSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360939 808254781 /nfs/dbraw/zinc/25/47/81/808254781.db2.gz LIQGFFKPXNWAGI-CVEARBPZSA-N 2 2 284.488 3.385 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001172360939 808254787 /nfs/dbraw/zinc/25/47/87/808254787.db2.gz LIQGFFKPXNWAGI-CVEARBPZSA-N 2 2 284.488 3.385 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@@H]1C ZINC001172379692 808272592 /nfs/dbraw/zinc/27/25/92/808272592.db2.gz PLBCHGLXKMWMAX-IJEWVQPXSA-N 2 2 261.413 3.345 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)CCOC(C)C)C1 ZINC001172462075 808331735 /nfs/dbraw/zinc/33/17/35/808331735.db2.gz YRMMLYKEOOACEH-HOTGVXAUSA-N 2 2 292.423 3.047 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)CCOC(C)C)C1 ZINC001172462075 808331743 /nfs/dbraw/zinc/33/17/43/808331743.db2.gz YRMMLYKEOOACEH-HOTGVXAUSA-N 2 2 292.423 3.047 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001172873115 808471907 /nfs/dbraw/zinc/47/19/07/808471907.db2.gz GDDWUQFUTIXCFS-NWDGAFQWSA-N 2 2 286.872 3.360 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001173093763 808506048 /nfs/dbraw/zinc/50/60/48/808506048.db2.gz MTZFUAUVQZRBTI-CGZBRXJRSA-N 2 2 296.499 3.434 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001173093763 808506052 /nfs/dbraw/zinc/50/60/52/808506052.db2.gz MTZFUAUVQZRBTI-CGZBRXJRSA-N 2 2 296.499 3.434 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccoc2)C3)c1 ZINC001275943276 808979521 /nfs/dbraw/zinc/97/95/21/808979521.db2.gz FQWCQHUJQAAUID-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccoc2)C3)c1 ZINC001275943276 808979524 /nfs/dbraw/zinc/97/95/24/808979524.db2.gz FQWCQHUJQAAUID-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c1 ZINC001275943276 808979529 /nfs/dbraw/zinc/97/95/29/808979529.db2.gz FQWCQHUJQAAUID-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c1 ZINC001275943276 808979532 /nfs/dbraw/zinc/97/95/32/808979532.db2.gz FQWCQHUJQAAUID-SFHVURJKSA-N 2 2 299.418 3.096 20 0 CGADLP Cc1cccc(F)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276689051 809025508 /nfs/dbraw/zinc/02/55/08/809025508.db2.gz ZJNIFOBRHYUCDM-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276689051 809025516 /nfs/dbraw/zinc/02/55/16/809025516.db2.gz ZJNIFOBRHYUCDM-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276689051 809025523 /nfs/dbraw/zinc/02/55/23/809025523.db2.gz ZJNIFOBRHYUCDM-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cccc(F)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001276689051 809025530 /nfs/dbraw/zinc/02/55/30/809025530.db2.gz ZJNIFOBRHYUCDM-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2ccoc2ccc1F ZINC001278168301 809117475 /nfs/dbraw/zinc/11/74/75/809117475.db2.gz SIOMWYJWUDIZRH-YHWZYXNKSA-N 2 2 288.366 3.287 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccoc2ccc1F ZINC001278168301 809117479 /nfs/dbraw/zinc/11/74/79/809117479.db2.gz SIOMWYJWUDIZRH-YHWZYXNKSA-N 2 2 288.366 3.287 20 0 CGADLP Cc1cc(Nc2ccccc2-n2cc[nH+]c2)cc(C)[nH+]1 ZINC001176052764 809608518 /nfs/dbraw/zinc/60/85/18/809608518.db2.gz UKWJUTCIMUZXMG-UHFFFAOYSA-N 2 2 264.332 3.050 20 0 CGADLP Cc1cc(C)c(Nc2ccc(OCC[NH+](C)C)cc2)c[nH+]1 ZINC001176223639 809650119 /nfs/dbraw/zinc/65/01/19/809650119.db2.gz JFHKEETWLVQBNO-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001181244068 810043540 /nfs/dbraw/zinc/04/35/40/810043540.db2.gz MHTWDNBWSMVUFE-QGZVFWFLSA-N 2 2 286.463 3.428 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001181244068 810043544 /nfs/dbraw/zinc/04/35/44/810043544.db2.gz MHTWDNBWSMVUFE-QGZVFWFLSA-N 2 2 286.463 3.428 20 0 CGADLP CCCC[N@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185313802 810256083 /nfs/dbraw/zinc/25/60/83/810256083.db2.gz PBWHCYXLAOVZGC-UHFFFAOYSA-N 2 2 297.406 3.026 20 0 CGADLP CCCC[N@@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001185313802 810256089 /nfs/dbraw/zinc/25/60/89/810256089.db2.gz PBWHCYXLAOVZGC-UHFFFAOYSA-N 2 2 297.406 3.026 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC001197497369 811426047 /nfs/dbraw/zinc/42/60/47/811426047.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC001197497369 811426052 /nfs/dbraw/zinc/42/60/52/811426052.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC001197497369 811426056 /nfs/dbraw/zinc/42/60/56/811426056.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC001197497369 811426058 /nfs/dbraw/zinc/42/60/58/811426058.db2.gz RGTRCPQETFBREG-QZTJIDSGSA-N 2 2 272.436 3.479 20 0 CGADLP CC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001201581669 811912766 /nfs/dbraw/zinc/91/27/66/811912766.db2.gz LGRCNTIFVLEJRR-UHFFFAOYSA-N 2 2 267.332 3.013 20 0 CGADLP CCc1[nH]c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(C)[nH+]1 ZINC001203247139 812281059 /nfs/dbraw/zinc/28/10/59/812281059.db2.gz SRADCEPEOYOPHC-CYBMUJFWSA-N 2 2 279.403 3.385 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2)o1)[NH+](C)C ZINC001203269791 812285792 /nfs/dbraw/zinc/28/57/92/812285792.db2.gz DESQMKMXJKQTGM-AWEZNQCLSA-N 2 2 272.392 3.376 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)cc1 ZINC001203276820 812288180 /nfs/dbraw/zinc/28/81/80/812288180.db2.gz HUAUCANUIKPUQC-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)cc1 ZINC001203276820 812288185 /nfs/dbraw/zinc/28/81/85/812288185.db2.gz HUAUCANUIKPUQC-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]3C2)cc1 ZINC001203276820 812288194 /nfs/dbraw/zinc/28/81/94/812288194.db2.gz HUAUCANUIKPUQC-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]3C2)cc1 ZINC001203276820 812288202 /nfs/dbraw/zinc/28/82/02/812288202.db2.gz HUAUCANUIKPUQC-HDICACEKSA-N 2 2 296.414 3.152 20 0 CGADLP COc1cc[nH+]c(Nc2cc[nH+]c3cc(OC)ccc23)c1 ZINC001203520882 812382437 /nfs/dbraw/zinc/38/24/37/812382437.db2.gz ZNFFZVJMLZLSFO-UHFFFAOYSA-N 2 2 281.315 3.391 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203894115 812484844 /nfs/dbraw/zinc/48/48/44/812484844.db2.gz NNYVKDOXEZLSIN-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203894115 812484848 /nfs/dbraw/zinc/48/48/48/812484848.db2.gz NNYVKDOXEZLSIN-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1cccc(Nc2cccc(CC[NH+]3CCOCC3)c2)[nH+]1 ZINC001204336422 812616491 /nfs/dbraw/zinc/61/64/91/812616491.db2.gz KYVHYLMAELJGNW-UHFFFAOYSA-N 2 2 297.402 3.008 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204911394 812772516 /nfs/dbraw/zinc/77/25/16/812772516.db2.gz IQDYIGASUORGBP-MRXNPFEDSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204911394 812772522 /nfs/dbraw/zinc/77/25/22/812772522.db2.gz IQDYIGASUORGBP-MRXNPFEDSA-N 2 2 272.436 3.297 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001204931961 812782458 /nfs/dbraw/zinc/78/24/58/812782458.db2.gz HDMBVXCVWJICNJ-SFHVURJKSA-N 2 2 296.414 3.372 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001204931961 812782462 /nfs/dbraw/zinc/78/24/62/812782462.db2.gz HDMBVXCVWJICNJ-SFHVURJKSA-N 2 2 296.414 3.372 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@](C)([NH3+])C3)ccc2c1 ZINC001204939802 812788708 /nfs/dbraw/zinc/78/87/08/812788708.db2.gz UBCUBRWHUNKCCW-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@](C)([NH3+])C3)ccc2c1 ZINC001204939802 812788719 /nfs/dbraw/zinc/78/87/19/812788719.db2.gz UBCUBRWHUNKCCW-SFHVURJKSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)ccc1OC(C)C ZINC001204945569 812792338 /nfs/dbraw/zinc/79/23/38/812792338.db2.gz HFFQLJHBBNDXNR-QGZVFWFLSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])C2)ccc1OC(C)C ZINC001204945569 812792342 /nfs/dbraw/zinc/79/23/42/812792342.db2.gz HFFQLJHBBNDXNR-QGZVFWFLSA-N 2 2 276.424 3.095 20 0 CGADLP C[C@H]1c2ccccc2CC[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001205164719 812894344 /nfs/dbraw/zinc/89/43/44/812894344.db2.gz QBSSJHXUEZWWIQ-MAUKXSAKSA-N 2 2 280.415 3.176 20 0 CGADLP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001205164719 812894349 /nfs/dbraw/zinc/89/43/49/812894349.db2.gz QBSSJHXUEZWWIQ-MAUKXSAKSA-N 2 2 280.415 3.176 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)nc1C ZINC001205296393 812938328 /nfs/dbraw/zinc/93/83/28/812938328.db2.gz ODKNDZFTZYMYMB-OAHLLOKOSA-N 2 2 281.831 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Cl)nc1C ZINC001205296393 812938335 /nfs/dbraw/zinc/93/83/35/812938335.db2.gz ODKNDZFTZYMYMB-OAHLLOKOSA-N 2 2 281.831 3.055 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC001215743003 815572311 /nfs/dbraw/zinc/57/23/11/815572311.db2.gz QATSTXGMRZBJQR-UHFFFAOYSA-N 2 2 284.407 3.177 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205829025 813100632 /nfs/dbraw/zinc/10/06/32/813100632.db2.gz NSHQRMGDQZHHIY-CZUORRHYSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205829025 813100635 /nfs/dbraw/zinc/10/06/35/813100635.db2.gz NSHQRMGDQZHHIY-CZUORRHYSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851699 813108406 /nfs/dbraw/zinc/10/84/06/813108406.db2.gz AQDITRZKEYTCNP-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001205851699 813108410 /nfs/dbraw/zinc/10/84/10/813108410.db2.gz AQDITRZKEYTCNP-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001205903029 813125164 /nfs/dbraw/zinc/12/51/64/813125164.db2.gz NDNBMCMFNJJWKQ-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001205903029 813125166 /nfs/dbraw/zinc/12/51/66/813125166.db2.gz NDNBMCMFNJJWKQ-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC001206058863 813185624 /nfs/dbraw/zinc/18/56/24/813185624.db2.gz TWDIGGAIRVKACB-FZKQIMNGSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)c2)C[C@H]1[NH3+] ZINC001206058863 813185628 /nfs/dbraw/zinc/18/56/28/813185628.db2.gz TWDIGGAIRVKACB-FZKQIMNGSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206070789 813190253 /nfs/dbraw/zinc/19/02/53/813190253.db2.gz RUOJPJONVXBRHR-DNVCBOLYSA-N 2 2 280.415 3.056 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@H]1[NH3+] ZINC001206070789 813190257 /nfs/dbraw/zinc/19/02/57/813190257.db2.gz RUOJPJONVXBRHR-DNVCBOLYSA-N 2 2 280.415 3.056 20 0 CGADLP F[C@H]1CCCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206081013 813194878 /nfs/dbraw/zinc/19/48/78/813194878.db2.gz JSULYCAWILAFOF-AWEZNQCLSA-N 2 2 256.409 3.123 20 0 CGADLP F[C@H]1CCCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001206081013 813194885 /nfs/dbraw/zinc/19/48/85/813194885.db2.gz JSULYCAWILAFOF-AWEZNQCLSA-N 2 2 256.409 3.123 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001206257969 813260022 /nfs/dbraw/zinc/26/00/22/813260022.db2.gz OWDBXDBTPPLINU-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc2[nH]cc(Cl)c21 ZINC001206257969 813260026 /nfs/dbraw/zinc/26/00/26/813260026.db2.gz OWDBXDBTPPLINU-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206335234 813292637 /nfs/dbraw/zinc/29/26/37/813292637.db2.gz CWLBHBWQRXEJQU-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206335234 813292642 /nfs/dbraw/zinc/29/26/42/813292642.db2.gz CWLBHBWQRXEJQU-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001206336965 813293606 /nfs/dbraw/zinc/29/36/06/813293606.db2.gz PJWYJMLBHJINTJ-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001206336965 813293611 /nfs/dbraw/zinc/29/36/11/813293611.db2.gz PJWYJMLBHJINTJ-MRXNPFEDSA-N 2 2 298.833 3.426 20 0 CGADLP CCOc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1C ZINC001206371724 813305727 /nfs/dbraw/zinc/30/57/27/813305727.db2.gz VRXCNMWBJQRHFR-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)ccc1C ZINC001206371724 813305735 /nfs/dbraw/zinc/30/57/35/813305735.db2.gz VRXCNMWBJQRHFR-KRWDZBQOSA-N 2 2 294.414 3.047 20 0 CGADLP C1SCC12CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC001206477517 813331351 /nfs/dbraw/zinc/33/13/51/813331351.db2.gz NNEMUEQEDAUIMA-JKSUJKDBSA-N 2 2 294.508 3.269 20 0 CGADLP C1SCC12CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC001206477517 813331357 /nfs/dbraw/zinc/33/13/57/813331357.db2.gz NNEMUEQEDAUIMA-JKSUJKDBSA-N 2 2 294.508 3.269 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC001206795151 813438325 /nfs/dbraw/zinc/43/83/25/813438325.db2.gz PSRZVGLSWCCMFA-KRWDZBQOSA-N 2 2 285.391 3.074 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)c1 ZINC001206795151 813438329 /nfs/dbraw/zinc/43/83/29/813438329.db2.gz PSRZVGLSWCCMFA-KRWDZBQOSA-N 2 2 285.391 3.074 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206807236 813441280 /nfs/dbraw/zinc/44/12/80/813441280.db2.gz HYXZZWCZHPWRRP-CMPLNLGQSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206807236 813441283 /nfs/dbraw/zinc/44/12/83/813441283.db2.gz HYXZZWCZHPWRRP-CMPLNLGQSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1noc(C)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207139401 813496427 /nfs/dbraw/zinc/49/64/27/813496427.db2.gz CWVNJORLJOHYNG-UHFFFAOYSA-N 2 2 291.439 3.130 20 0 CGADLP Cc1noc(C)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001207139401 813496433 /nfs/dbraw/zinc/49/64/33/813496433.db2.gz CWVNJORLJOHYNG-UHFFFAOYSA-N 2 2 291.439 3.130 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594500 813603417 /nfs/dbraw/zinc/60/34/17/813603417.db2.gz XZRDUIAAEIRUAD-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594500 813603424 /nfs/dbraw/zinc/60/34/24/813603424.db2.gz XZRDUIAAEIRUAD-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594500 813603428 /nfs/dbraw/zinc/60/34/28/813603428.db2.gz XZRDUIAAEIRUAD-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@H]21 ZINC001207594500 813603433 /nfs/dbraw/zinc/60/34/33/813603433.db2.gz XZRDUIAAEIRUAD-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633801 813622612 /nfs/dbraw/zinc/62/26/12/813622612.db2.gz APVOLKWMHLWIBR-HZMVEIRTSA-N 2 2 284.403 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633801 813622619 /nfs/dbraw/zinc/62/26/19/813622619.db2.gz APVOLKWMHLWIBR-HZMVEIRTSA-N 2 2 284.403 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001208697819 813802614 /nfs/dbraw/zinc/80/26/14/813802614.db2.gz AJNURPUWPSZAST-MRXNPFEDSA-N 2 2 274.408 3.423 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001208697819 813802623 /nfs/dbraw/zinc/80/26/23/813802623.db2.gz AJNURPUWPSZAST-MRXNPFEDSA-N 2 2 274.408 3.423 20 0 CGADLP CC[N@H+](CCCc1ccccc1Cl)CCn1cc[nH+]c1 ZINC001208875537 813876554 /nfs/dbraw/zinc/87/65/54/813876554.db2.gz XQRCEDYGQKGDCG-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP CC[N@@H+](CCCc1ccccc1Cl)CCn1cc[nH+]c1 ZINC001208875537 813876563 /nfs/dbraw/zinc/87/65/63/813876563.db2.gz XQRCEDYGQKGDCG-UHFFFAOYSA-N 2 2 291.826 3.491 20 0 CGADLP c1cc2c(o1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208952028 813909712 /nfs/dbraw/zinc/90/97/12/813909712.db2.gz GNRGIVLKSHLPFC-KRWDZBQOSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208952028 813909716 /nfs/dbraw/zinc/90/97/16/813909716.db2.gz GNRGIVLKSHLPFC-KRWDZBQOSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952028 813909720 /nfs/dbraw/zinc/90/97/20/813909720.db2.gz GNRGIVLKSHLPFC-KRWDZBQOSA-N 2 2 296.414 3.160 20 0 CGADLP c1cc2c(o1)CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208952028 813909723 /nfs/dbraw/zinc/90/97/23/813909723.db2.gz GNRGIVLKSHLPFC-KRWDZBQOSA-N 2 2 296.414 3.160 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC[NH2+]1 ZINC001210499981 814491193 /nfs/dbraw/zinc/49/11/93/814491193.db2.gz XYDILHAZSNQUHC-CYBMUJFWSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC[NH2+]1 ZINC001210499981 814491195 /nfs/dbraw/zinc/49/11/95/814491195.db2.gz XYDILHAZSNQUHC-CYBMUJFWSA-N 2 2 287.382 3.005 20 0 CGADLP COc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC001210705406 814589573 /nfs/dbraw/zinc/58/95/73/814589573.db2.gz CQYMJDDHSZQMIR-INIZCTEOSA-N 2 2 287.407 3.343 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001211130489 814756669 /nfs/dbraw/zinc/75/66/69/814756669.db2.gz SKRGLIZSBZFWJJ-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c2occc21 ZINC001222252526 816387879 /nfs/dbraw/zinc/38/78/79/816387879.db2.gz GCYQXKZERPWUPY-QGZVFWFLSA-N 2 2 288.366 3.290 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c2occc21 ZINC001222252526 816387882 /nfs/dbraw/zinc/38/78/82/816387882.db2.gz GCYQXKZERPWUPY-QGZVFWFLSA-N 2 2 288.366 3.290 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@@]4(CC[NH2+]4)C3)c[nH]c21 ZINC001222282624 816395551 /nfs/dbraw/zinc/39/55/51/816395551.db2.gz LEVBABFFBHCHQM-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@@]4(CC[NH2+]4)C3)c[nH]c21 ZINC001222282624 816395559 /nfs/dbraw/zinc/39/55/59/816395559.db2.gz LEVBABFFBHCHQM-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP Fc1cc(F)c(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316500 816407513 /nfs/dbraw/zinc/40/75/13/816407513.db2.gz WWWWNXHJBBUTTO-MRXNPFEDSA-N 2 2 298.352 3.212 20 0 CGADLP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316500 816407517 /nfs/dbraw/zinc/40/75/17/816407517.db2.gz WWWWNXHJBBUTTO-MRXNPFEDSA-N 2 2 298.352 3.212 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222346768 816415513 /nfs/dbraw/zinc/41/55/13/816415513.db2.gz SHWQFRJJIQLQDZ-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222346768 816415514 /nfs/dbraw/zinc/41/55/14/816415514.db2.gz SHWQFRJJIQLQDZ-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222345973 816415536 /nfs/dbraw/zinc/41/55/36/816415536.db2.gz NZUMSUQHKVAQRV-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222345973 816415540 /nfs/dbraw/zinc/41/55/40/816415540.db2.gz NZUMSUQHKVAQRV-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP c1cnc2cccc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2c1 ZINC001222385770 816427257 /nfs/dbraw/zinc/42/72/57/816427257.db2.gz WLXASLNUNDJZRD-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cccc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c2c1 ZINC001222385770 816427260 /nfs/dbraw/zinc/42/72/60/816427260.db2.gz WLXASLNUNDJZRD-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222435517 816445153 /nfs/dbraw/zinc/44/51/53/816445153.db2.gz QEPQVKRGOIORQP-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)cc2)c1 ZINC001222435517 816445159 /nfs/dbraw/zinc/44/51/59/816445159.db2.gz QEPQVKRGOIORQP-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc(F)c(C[NH+](C)C)c(F)c2)c1 ZINC001242999744 823206615 /nfs/dbraw/zinc/20/66/15/823206615.db2.gz VNWYPLAFVJZVEZ-UHFFFAOYSA-N 2 2 290.357 3.413 20 0 CGADLP Cn1c[nH+]cc1-c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001243068881 823235017 /nfs/dbraw/zinc/23/50/17/823235017.db2.gz KHQDGGQDSNGKET-UHFFFAOYSA-N 2 2 294.402 3.207 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425762 818098350 /nfs/dbraw/zinc/09/83/50/818098350.db2.gz VXHRHJPGFBTEAZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425762 818098358 /nfs/dbraw/zinc/09/83/58/818098358.db2.gz VXHRHJPGFBTEAZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425762 818098369 /nfs/dbraw/zinc/09/83/69/818098369.db2.gz VXHRHJPGFBTEAZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425762 818098373 /nfs/dbraw/zinc/09/83/73/818098373.db2.gz VXHRHJPGFBTEAZ-GASCZTMLSA-N 2 2 278.827 3.032 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001231789949 818177264 /nfs/dbraw/zinc/17/72/64/818177264.db2.gz MUQQXRAOWHFZMO-OALUTQOASA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001231789949 818177270 /nfs/dbraw/zinc/17/72/70/818177270.db2.gz MUQQXRAOWHFZMO-OALUTQOASA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001231789949 818177274 /nfs/dbraw/zinc/17/72/74/818177274.db2.gz MUQQXRAOWHFZMO-OALUTQOASA-N 2 2 286.463 3.411 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001231789949 818177279 /nfs/dbraw/zinc/17/72/79/818177279.db2.gz MUQQXRAOWHFZMO-OALUTQOASA-N 2 2 286.463 3.411 20 0 CGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC001232143836 818262107 /nfs/dbraw/zinc/26/21/07/818262107.db2.gz HVJLQLWVXPNHSH-UHFFFAOYSA-N 2 2 298.352 3.118 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccnc(C(C)(C)C)c1 ZINC001232218511 818283369 /nfs/dbraw/zinc/28/33/69/818283369.db2.gz BUBHHQYNTVRFAP-UHFFFAOYSA-N 2 2 286.423 3.098 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccnc(C(C)(C)C)c1 ZINC001232218511 818283377 /nfs/dbraw/zinc/28/33/77/818283377.db2.gz BUBHHQYNTVRFAP-UHFFFAOYSA-N 2 2 286.423 3.098 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(C)[nH+]1 ZINC001234644243 818899954 /nfs/dbraw/zinc/89/99/54/818899954.db2.gz BGCBRWWKXVFVAA-UHFFFAOYSA-N 2 2 265.376 3.131 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCCC3(CC(F)C3)CC2)c(C)[nH+]1 ZINC001234644243 818899958 /nfs/dbraw/zinc/89/99/58/818899958.db2.gz BGCBRWWKXVFVAA-UHFFFAOYSA-N 2 2 265.376 3.131 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(C)[nH+]1 ZINC001234644557 818900243 /nfs/dbraw/zinc/90/02/43/818900243.db2.gz FSQZKLJURCHXKK-CYBMUJFWSA-N 2 2 265.376 3.131 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235004538 818976218 /nfs/dbraw/zinc/97/62/18/818976218.db2.gz BILLWFWZCVCEQV-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235004538 818976220 /nfs/dbraw/zinc/97/62/20/818976220.db2.gz BILLWFWZCVCEQV-VQTJNVASSA-N 2 2 292.426 3.456 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030441 818982587 /nfs/dbraw/zinc/98/25/87/818982587.db2.gz AQUUMDBAGNERLQ-HNNXBMFYSA-N 2 2 296.867 3.247 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030441 818982590 /nfs/dbraw/zinc/98/25/90/818982590.db2.gz AQUUMDBAGNERLQ-HNNXBMFYSA-N 2 2 296.867 3.247 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1C ZINC001235120285 819009879 /nfs/dbraw/zinc/00/98/79/819009879.db2.gz MPOGZZRWNAXFCF-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1C ZINC001235120285 819009884 /nfs/dbraw/zinc/00/98/84/819009884.db2.gz MPOGZZRWNAXFCF-GOSISDBHSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235183523 819028220 /nfs/dbraw/zinc/02/82/20/819028220.db2.gz ADDDWGJDQPWALP-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cccc1C(F)(F)F ZINC001235183523 819028224 /nfs/dbraw/zinc/02/82/24/819028224.db2.gz ADDDWGJDQPWALP-OCCSQVGLSA-N 2 2 298.352 3.055 20 0 CGADLP c1ccc(C(C[N@@H+]2CC[C@H]3C[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC001235192092 819031764 /nfs/dbraw/zinc/03/17/64/819031764.db2.gz WLAATHUIDNNDQI-ICSRJNTNSA-N 2 2 292.426 3.112 20 0 CGADLP c1ccc(C(C[N@H+]2CC[C@H]3C[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC001235192092 819031767 /nfs/dbraw/zinc/03/17/67/819031767.db2.gz WLAATHUIDNNDQI-ICSRJNTNSA-N 2 2 292.426 3.112 20 0 CGADLP Clc1cnc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235230759 819042177 /nfs/dbraw/zinc/04/21/77/819042177.db2.gz QPBBWTKJKMTUNL-GFCCVEGCSA-N 2 2 299.871 3.151 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235236199 819043454 /nfs/dbraw/zinc/04/34/54/819043454.db2.gz VENRRQOQLOQLBD-MOPGFXCFSA-N 2 2 278.399 3.290 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235236199 819043459 /nfs/dbraw/zinc/04/34/59/819043459.db2.gz VENRRQOQLOQLBD-MOPGFXCFSA-N 2 2 278.399 3.290 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1Cl ZINC001235435593 819098539 /nfs/dbraw/zinc/09/85/39/819098539.db2.gz RHWVRVJXSBTDSX-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405118 819087288 /nfs/dbraw/zinc/08/72/88/819087288.db2.gz NUHPSUNOBWLVQH-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405118 819087293 /nfs/dbraw/zinc/08/72/93/819087293.db2.gz NUHPSUNOBWLVQH-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+](C)CCC[NH3+])c(Cl)c1Cl ZINC001235435257 819097345 /nfs/dbraw/zinc/09/73/45/819097345.db2.gz FOKCJIHURQPIRG-UHFFFAOYSA-N 2 2 261.196 3.082 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(Cl)c1Cl ZINC001235435257 819097349 /nfs/dbraw/zinc/09/73/49/819097349.db2.gz FOKCJIHURQPIRG-UHFFFAOYSA-N 2 2 261.196 3.082 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1ccc(C(F)(F)F)cc1Cl ZINC001235435593 819098538 /nfs/dbraw/zinc/09/85/38/819098538.db2.gz RHWVRVJXSBTDSX-UHFFFAOYSA-N 2 2 280.721 3.139 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235537716 819118656 /nfs/dbraw/zinc/11/86/56/819118656.db2.gz LCIVOMFIEJCLLD-HOTGVXAUSA-N 2 2 292.854 3.422 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001235677299 819137005 /nfs/dbraw/zinc/13/70/05/819137005.db2.gz GIJZAXWHPNRWGK-HZPDHXFCSA-N 2 2 286.444 3.455 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001235677299 819137010 /nfs/dbraw/zinc/13/70/10/819137010.db2.gz GIJZAXWHPNRWGK-HZPDHXFCSA-N 2 2 286.444 3.455 20 0 CGADLP CC[N@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001235764846 819163008 /nfs/dbraw/zinc/16/30/08/819163008.db2.gz LXMQMWVFVHGBMB-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC001235764846 819163012 /nfs/dbraw/zinc/16/30/12/819163012.db2.gz LXMQMWVFVHGBMB-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001235892162 819201400 /nfs/dbraw/zinc/20/14/00/819201400.db2.gz LUPYKEIVZGQUAQ-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001235892162 819201405 /nfs/dbraw/zinc/20/14/05/819201405.db2.gz LUPYKEIVZGQUAQ-ZBFHGGJFSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235899917 819209696 /nfs/dbraw/zinc/20/96/96/819209696.db2.gz BLPADCJDOHXRHR-RISCZKNCSA-N 2 2 286.341 3.325 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235899917 819209700 /nfs/dbraw/zinc/20/97/00/819209700.db2.gz BLPADCJDOHXRHR-RISCZKNCSA-N 2 2 286.341 3.325 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1C(C)C ZINC001235901814 819211673 /nfs/dbraw/zinc/21/16/73/819211673.db2.gz DZJFLIXCYQGDDD-HOCLYGCPSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1C(C)C ZINC001235901814 819211675 /nfs/dbraw/zinc/21/16/75/819211675.db2.gz DZJFLIXCYQGDDD-HOCLYGCPSA-N 2 2 290.451 3.439 20 0 CGADLP COc1ccc([C@@H](C)[N@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235950023 819238817 /nfs/dbraw/zinc/23/88/17/819238817.db2.gz NAFJINMMAHZAPR-CRAIPNDOSA-N 2 2 298.430 3.258 20 0 CGADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001235950023 819238823 /nfs/dbraw/zinc/23/88/23/819238823.db2.gz NAFJINMMAHZAPR-CRAIPNDOSA-N 2 2 298.430 3.258 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001235949417 819239815 /nfs/dbraw/zinc/23/98/15/819239815.db2.gz JSOAJJUTLGLJMI-MSOLQXFVSA-N 2 2 266.388 3.003 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H]1c1ccccc1 ZINC001235949417 819239821 /nfs/dbraw/zinc/23/98/21/819239821.db2.gz JSOAJJUTLGLJMI-MSOLQXFVSA-N 2 2 266.388 3.003 20 0 CGADLP CC[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CC[NH2+]C1 ZINC001235970941 819255016 /nfs/dbraw/zinc/25/50/16/819255016.db2.gz WVVHIVBJKRVQNE-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@H]1CC[NH2+]C1 ZINC001235970941 819255022 /nfs/dbraw/zinc/25/50/22/819255022.db2.gz WVVHIVBJKRVQNE-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC[N@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@H]1CC[NH2+]C1 ZINC001235971602 819255361 /nfs/dbraw/zinc/25/53/61/819255361.db2.gz ZUDPOLDLIYHODW-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP CC[N@@H+](Cc1c(C)c(C)c(C)c(C)c1C)[C@H]1CC[NH2+]C1 ZINC001235971602 819255366 /nfs/dbraw/zinc/25/53/66/819255366.db2.gz ZUDPOLDLIYHODW-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235979871 819255802 /nfs/dbraw/zinc/25/58/02/819255802.db2.gz LPCUAOQMVHHMEJ-FUHWJXTLSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235979871 819255805 /nfs/dbraw/zinc/25/58/05/819255805.db2.gz LPCUAOQMVHHMEJ-FUHWJXTLSA-N 2 2 288.435 3.179 20 0 CGADLP [NH3+][C@H](C[N@@H+]1CCCC2(CC(F)C2)CC1)c1ccccc1 ZINC001235991648 819261715 /nfs/dbraw/zinc/26/17/15/819261715.db2.gz HBGKKWSERYFEHV-AQFXKWCLSA-N 2 2 276.399 3.291 20 0 CGADLP [NH3+][C@H](C[N@H+]1CCCC2(CC(F)C2)CC1)c1ccccc1 ZINC001235991648 819261720 /nfs/dbraw/zinc/26/17/20/819261720.db2.gz HBGKKWSERYFEHV-AQFXKWCLSA-N 2 2 276.399 3.291 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990327 819261930 /nfs/dbraw/zinc/26/19/30/819261930.db2.gz LYODEDNKYHQGSI-UXHICEINSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(Cc3ccccc3)cc1)C2 ZINC001235990327 819261939 /nfs/dbraw/zinc/26/19/39/819261939.db2.gz LYODEDNKYHQGSI-UXHICEINSA-N 2 2 292.426 3.201 20 0 CGADLP CCCCOc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236005188 819271041 /nfs/dbraw/zinc/27/10/41/819271041.db2.gz BONCTNJRECMESL-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236005188 819271042 /nfs/dbraw/zinc/27/10/42/819271042.db2.gz BONCTNJRECMESL-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001236010072 819273849 /nfs/dbraw/zinc/27/38/49/819273849.db2.gz QEKRTKQVCMJDNF-HNNXBMFYSA-N 2 2 280.843 3.476 20 0 CGADLP CCc1cc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001236010072 819273853 /nfs/dbraw/zinc/27/38/53/819273853.db2.gz QEKRTKQVCMJDNF-HNNXBMFYSA-N 2 2 280.843 3.476 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236043952 819282188 /nfs/dbraw/zinc/28/21/88/819282188.db2.gz GZWVRZUWEKJVKK-GDBMZVCRSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236043952 819282193 /nfs/dbraw/zinc/28/21/93/819282193.db2.gz GZWVRZUWEKJVKK-GDBMZVCRSA-N 2 2 276.424 3.035 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236050528 819287621 /nfs/dbraw/zinc/28/76/21/819287621.db2.gz UMLDDMMHBYCCPE-HOCLYGCPSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236050528 819287626 /nfs/dbraw/zinc/28/76/26/819287626.db2.gz UMLDDMMHBYCCPE-HOCLYGCPSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)nc2)CCC[NH2+]1 ZINC001236100043 819317880 /nfs/dbraw/zinc/31/78/80/819317880.db2.gz BHRRGOMRKMLTJZ-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CCC[NH2+]1 ZINC001236100043 819317884 /nfs/dbraw/zinc/31/78/84/819317884.db2.gz BHRRGOMRKMLTJZ-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236172015 819354679 /nfs/dbraw/zinc/35/46/79/819354679.db2.gz FUYSYJBWGPQCDY-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001236172015 819354686 /nfs/dbraw/zinc/35/46/86/819354686.db2.gz FUYSYJBWGPQCDY-GOSISDBHSA-N 2 2 266.388 3.195 20 0 CGADLP C[N@H+](Cc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214160 819375299 /nfs/dbraw/zinc/37/52/99/819375299.db2.gz CMXVCXBFWVHUEN-GJZGRUSLSA-N 2 2 258.365 3.135 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236214160 819375304 /nfs/dbraw/zinc/37/53/04/819375304.db2.gz CMXVCXBFWVHUEN-GJZGRUSLSA-N 2 2 258.365 3.135 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216373 819379584 /nfs/dbraw/zinc/37/95/84/819379584.db2.gz JVQXSPYKNBQRNW-IEBWSBKVSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)n1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216373 819379588 /nfs/dbraw/zinc/37/95/88/819379588.db2.gz JVQXSPYKNBQRNW-IEBWSBKVSA-N 2 2 295.430 3.450 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236218023 819384345 /nfs/dbraw/zinc/38/43/45/819384345.db2.gz QZSVIDAMRXLBOA-RDJZCZTQSA-N 2 2 271.408 3.178 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])cc2c1 ZINC001236218023 819384358 /nfs/dbraw/zinc/38/43/58/819384358.db2.gz QZSVIDAMRXLBOA-RDJZCZTQSA-N 2 2 271.408 3.178 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236219650 819385299 /nfs/dbraw/zinc/38/52/99/819385299.db2.gz XFPMMCVUSKTWLT-GJZGRUSLSA-N 2 2 296.842 3.440 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236219650 819385304 /nfs/dbraw/zinc/38/53/04/819385304.db2.gz XFPMMCVUSKTWLT-GJZGRUSLSA-N 2 2 296.842 3.440 20 0 CGADLP Cc1cc(C)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236238477 819398558 /nfs/dbraw/zinc/39/85/58/819398558.db2.gz AAYVRTKWHNJTQJ-GOSISDBHSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236238477 819398563 /nfs/dbraw/zinc/39/85/63/819398563.db2.gz AAYVRTKWHNJTQJ-GOSISDBHSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C[NH+]2CCC[NH2+]CCC2)cc(C(F)(F)F)c1 ZINC001236238766 819398578 /nfs/dbraw/zinc/39/85/78/819398578.db2.gz AYFZOQYTBPRTHS-UHFFFAOYSA-N 2 2 286.341 3.199 20 0 CGADLP Oc1ccc2cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001236238507 819398713 /nfs/dbraw/zinc/39/87/13/819398713.db2.gz FRPIYJMDDNVIIS-SFHVURJKSA-N 2 2 296.414 3.262 20 0 CGADLP Oc1ccc2cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC001236238507 819398716 /nfs/dbraw/zinc/39/87/16/819398716.db2.gz FRPIYJMDDNVIIS-SFHVURJKSA-N 2 2 296.414 3.262 20 0 CGADLP c1ccn(-c2ccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001236239551 819399730 /nfs/dbraw/zinc/39/97/30/819399730.db2.gz HZGKBGINMPRKGJ-LJQANCHMSA-N 2 2 295.430 3.194 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001236239551 819399733 /nfs/dbraw/zinc/39/97/33/819399733.db2.gz HZGKBGINMPRKGJ-LJQANCHMSA-N 2 2 295.430 3.194 20 0 CGADLP c1cc(C2CC2)ccc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241864 819401040 /nfs/dbraw/zinc/40/10/40/819401040.db2.gz SMJXKOOLOXVENC-GOSISDBHSA-N 2 2 270.420 3.280 20 0 CGADLP c1cc(C2CC2)ccc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241864 819401046 /nfs/dbraw/zinc/40/10/46/819401046.db2.gz SMJXKOOLOXVENC-GOSISDBHSA-N 2 2 270.420 3.280 20 0 CGADLP CS[C@@H](C)CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269322 819411571 /nfs/dbraw/zinc/41/15/71/819411571.db2.gz KECAYMZVYNYCSN-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP CS[C@@H](C)CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269322 819411576 /nfs/dbraw/zinc/41/15/76/819411576.db2.gz KECAYMZVYNYCSN-RDJZCZTQSA-N 2 2 292.492 3.382 20 0 CGADLP Nc1ccc(-c2ccc(SC3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001236316579 819421669 /nfs/dbraw/zinc/42/16/69/819421669.db2.gz HUSWLGXCICHMSW-UHFFFAOYSA-N 2 2 285.416 3.175 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236419249 819465814 /nfs/dbraw/zinc/46/58/14/819465814.db2.gz LDYHNAJIBZGRPY-CRAIPNDOSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236419249 819465820 /nfs/dbraw/zinc/46/58/20/819465820.db2.gz LDYHNAJIBZGRPY-CRAIPNDOSA-N 2 2 290.451 3.402 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001236420815 819467387 /nfs/dbraw/zinc/46/73/87/819467387.db2.gz OKHFCIGJDINWJU-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001236420815 819467390 /nfs/dbraw/zinc/46/73/90/819467390.db2.gz OKHFCIGJDINWJU-BXUZGUMPSA-N 2 2 260.406 3.213 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421938 819469680 /nfs/dbraw/zinc/46/96/80/819469680.db2.gz UVDJVBPQQFUMHX-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421938 819469681 /nfs/dbraw/zinc/46/96/81/819469681.db2.gz UVDJVBPQQFUMHX-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)s1 ZINC001236423122 819470825 /nfs/dbraw/zinc/47/08/25/819470825.db2.gz ZSKKHDSNLNIINF-FZMZJTMJSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)s1 ZINC001236423122 819470826 /nfs/dbraw/zinc/47/08/26/819470826.db2.gz ZSKKHDSNLNIINF-FZMZJTMJSA-N 2 2 252.427 3.012 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468600 819489782 /nfs/dbraw/zinc/48/97/82/819489782.db2.gz KPVIIHLSBDHOMG-CYBMUJFWSA-N 2 2 284.806 3.442 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236468600 819489786 /nfs/dbraw/zinc/48/97/86/819489786.db2.gz KPVIIHLSBDHOMG-CYBMUJFWSA-N 2 2 284.806 3.442 20 0 CGADLP COc1cc(C)ccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473085 819492261 /nfs/dbraw/zinc/49/22/61/819492261.db2.gz GXYVWWZBGNNDIU-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP COc1cc(C)ccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473085 819492264 /nfs/dbraw/zinc/49/22/64/819492264.db2.gz GXYVWWZBGNNDIU-QGZVFWFLSA-N 2 2 290.451 3.214 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236525397 819517339 /nfs/dbraw/zinc/51/73/39/819517339.db2.gz CCYOHQYAFMLUQU-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236525397 819517341 /nfs/dbraw/zinc/51/73/41/819517341.db2.gz CCYOHQYAFMLUQU-CQSZACIVSA-N 2 2 266.816 3.221 20 0 CGADLP CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1CC ZINC001236531335 819524198 /nfs/dbraw/zinc/52/41/98/819524198.db2.gz XFIJDMOFFHBMEO-QGZVFWFLSA-N 2 2 290.451 3.220 20 0 CGADLP CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1CC ZINC001236531335 819524201 /nfs/dbraw/zinc/52/42/01/819524201.db2.gz XFIJDMOFFHBMEO-QGZVFWFLSA-N 2 2 290.451 3.220 20 0 CGADLP COC1CCC(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648377 819560320 /nfs/dbraw/zinc/56/03/20/819560320.db2.gz QXWFNRQGERMCOP-NXYGQSRBSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648377 819560323 /nfs/dbraw/zinc/56/03/23/819560323.db2.gz QXWFNRQGERMCOP-NXYGQSRBSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@H](C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649387 819561763 /nfs/dbraw/zinc/56/17/63/819561763.db2.gz XOZSLEOSIULWDH-WBVHZDCISA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649387 819561768 /nfs/dbraw/zinc/56/17/68/819561768.db2.gz XOZSLEOSIULWDH-WBVHZDCISA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cnc1-c1ccccc1 ZINC001236884829 819630454 /nfs/dbraw/zinc/63/04/54/819630454.db2.gz SRAPSTVAYCAWDQ-KRWDZBQOSA-N 2 2 283.419 3.226 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cnc1-c1ccccc1 ZINC001236884829 819630458 /nfs/dbraw/zinc/63/04/58/819630458.db2.gz SRAPSTVAYCAWDQ-KRWDZBQOSA-N 2 2 283.419 3.226 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2nccc(Cl)c2c1 ZINC001236884793 819630607 /nfs/dbraw/zinc/63/06/07/819630607.db2.gz UCAJGQVKLYIYSJ-LBPRGKRZSA-N 2 2 277.799 3.057 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2nccc(Cl)c2c1 ZINC001236884793 819630610 /nfs/dbraw/zinc/63/06/10/819630610.db2.gz UCAJGQVKLYIYSJ-LBPRGKRZSA-N 2 2 277.799 3.057 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001236902547 819634744 /nfs/dbraw/zinc/63/47/44/819634744.db2.gz HBXFSTXYAYIKMM-UHFFFAOYSA-N 2 2 261.756 3.120 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC1 ZINC001236902547 819634751 /nfs/dbraw/zinc/63/47/51/819634751.db2.gz HBXFSTXYAYIKMM-UHFFFAOYSA-N 2 2 261.756 3.120 20 0 CGADLP Cc1c(C[N@@H+](C)C[C@H](C)[NH3+])cccc1-c1ccccc1 ZINC001236908953 819637115 /nfs/dbraw/zinc/63/71/15/819637115.db2.gz NPLFRJMKOIEBNK-AWEZNQCLSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1c(C[N@H+](C)C[C@H](C)[NH3+])cccc1-c1ccccc1 ZINC001236908953 819637117 /nfs/dbraw/zinc/63/71/17/819637117.db2.gz NPLFRJMKOIEBNK-AWEZNQCLSA-N 2 2 268.404 3.441 20 0 CGADLP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001237330240 819729014 /nfs/dbraw/zinc/72/90/14/819729014.db2.gz OFUPQHFOFJBBRM-SJLPKXTDSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001237330240 819729022 /nfs/dbraw/zinc/72/90/22/819729022.db2.gz OFUPQHFOFJBBRM-SJLPKXTDSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001237330240 819729029 /nfs/dbraw/zinc/72/90/29/819729029.db2.gz OFUPQHFOFJBBRM-SJLPKXTDSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cccc(C)c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001237330240 819729033 /nfs/dbraw/zinc/72/90/33/819729033.db2.gz OFUPQHFOFJBBRM-SJLPKXTDSA-N 2 2 272.436 3.083 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237417601 819748390 /nfs/dbraw/zinc/74/83/90/819748390.db2.gz UYKRHFOPQATAQU-NVXWUHKLSA-N 2 2 292.854 3.476 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1Cl ZINC001237417601 819748395 /nfs/dbraw/zinc/74/83/95/819748395.db2.gz UYKRHFOPQATAQU-NVXWUHKLSA-N 2 2 292.854 3.476 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(C)c3Cl)C[C@H]2C1 ZINC001237703684 819812316 /nfs/dbraw/zinc/81/23/16/819812316.db2.gz AFMTZVQVJJBVCP-HZPDHXFCSA-N 2 2 292.854 3.340 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001238104761 819936668 /nfs/dbraw/zinc/93/66/68/819936668.db2.gz ZERPSFANCYKNSI-QGZVFWFLSA-N 2 2 278.359 3.066 20 0 CGADLP c1[nH+]cn2c1cccc2C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001238104761 819936671 /nfs/dbraw/zinc/93/66/71/819936671.db2.gz ZERPSFANCYKNSI-QGZVFWFLSA-N 2 2 278.359 3.066 20 0 CGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238516272 820036120 /nfs/dbraw/zinc/03/61/20/820036120.db2.gz LUXGCYFPMCGAIO-IYBDPMFKSA-N 2 2 288.410 3.087 20 0 CGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238516272 820036132 /nfs/dbraw/zinc/03/61/32/820036132.db2.gz LUXGCYFPMCGAIO-IYBDPMFKSA-N 2 2 288.410 3.087 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238516272 820036142 /nfs/dbraw/zinc/03/61/42/820036142.db2.gz LUXGCYFPMCGAIO-IYBDPMFKSA-N 2 2 288.410 3.087 20 0 CGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(C4CC4)c3)C[C@@H]2C1 ZINC001238516272 820036152 /nfs/dbraw/zinc/03/61/52/820036152.db2.gz LUXGCYFPMCGAIO-IYBDPMFKSA-N 2 2 288.410 3.087 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238626640 820066021 /nfs/dbraw/zinc/06/60/21/820066021.db2.gz YMBHARBEBJJDGT-UHFFFAOYSA-N 2 2 275.440 3.041 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238626640 820066028 /nfs/dbraw/zinc/06/60/28/820066028.db2.gz YMBHARBEBJJDGT-UHFFFAOYSA-N 2 2 275.440 3.041 20 0 CGADLP Nc1[nH]c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2[nH+]1 ZINC001243659281 823477747 /nfs/dbraw/zinc/47/77/47/823477747.db2.gz PUPUIWWYTKWDRS-UHFFFAOYSA-N 2 2 289.342 3.057 20 0 CGADLP Nc1[nH]c2cc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH+]1 ZINC001243659281 823477752 /nfs/dbraw/zinc/47/77/52/823477752.db2.gz PUPUIWWYTKWDRS-UHFFFAOYSA-N 2 2 289.342 3.057 20 0 CGADLP Cc1cc(C)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001239524223 820373750 /nfs/dbraw/zinc/37/37/50/820373750.db2.gz SHHTWUHTYBBLCK-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP COCc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239937602 820717437 /nfs/dbraw/zinc/71/74/37/820717437.db2.gz XZNLUYAEWBQQHW-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239937602 820717440 /nfs/dbraw/zinc/71/74/40/820717440.db2.gz XZNLUYAEWBQQHW-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219900 820896038 /nfs/dbraw/zinc/89/60/38/820896038.db2.gz ZJVJZIRJLBZZDP-UHFFFAOYSA-N 2 2 251.333 3.063 20 0 CGADLP Cc1sccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240502576 821099604 /nfs/dbraw/zinc/09/96/04/821099604.db2.gz XZUJTSSTOABRAR-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1sccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240502576 821099612 /nfs/dbraw/zinc/09/96/12/821099612.db2.gz XZUJTSSTOABRAR-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP CC[NH+](CC)Cc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240511850 821106237 /nfs/dbraw/zinc/10/62/37/821106237.db2.gz KJGGCYZHWJWBHW-UHFFFAOYSA-N 2 2 280.375 3.238 20 0 CGADLP c1cn2ccc(-c3ccccc3C3CC[NH2+]CC3)cc2[nH+]1 ZINC001240513627 821109933 /nfs/dbraw/zinc/10/99/33/821109933.db2.gz WWDZDLZIYHLAPB-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1C ZINC001240701547 821258011 /nfs/dbraw/zinc/25/80/11/821258011.db2.gz KAVMNOPWYWVDJV-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP CCc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241549265 821939475 /nfs/dbraw/zinc/93/94/75/821939475.db2.gz ILZFCWURNPBXIJ-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241549265 821939480 /nfs/dbraw/zinc/93/94/80/821939480.db2.gz ILZFCWURNPBXIJ-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCCC(F)(F)F ZINC001352052052 937033769 /nfs/dbraw/zinc/03/37/69/937033769.db2.gz DMWBMVLHSBPTTA-NSHDSACASA-N 2 2 266.351 3.039 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCCC(F)(F)F ZINC001352052052 937033772 /nfs/dbraw/zinc/03/37/72/937033772.db2.gz DMWBMVLHSBPTTA-NSHDSACASA-N 2 2 266.351 3.039 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC001461261947 928752017 /nfs/dbraw/zinc/75/20/17/928752017.db2.gz ZFUMTKFXQLCRPX-SJORKVTESA-N 2 2 284.488 3.149 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC001461261947 928752026 /nfs/dbraw/zinc/75/20/26/928752026.db2.gz ZFUMTKFXQLCRPX-SJORKVTESA-N 2 2 284.488 3.149 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001308258486 928870270 /nfs/dbraw/zinc/87/02/70/928870270.db2.gz HPDTUJVXRBIEFD-ZWKOTPCHSA-N 2 2 296.499 3.293 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001308258486 928870286 /nfs/dbraw/zinc/87/02/86/928870286.db2.gz HPDTUJVXRBIEFD-ZWKOTPCHSA-N 2 2 296.499 3.293 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647776 937538001 /nfs/dbraw/zinc/53/80/01/937538001.db2.gz AYSAZFOEUFDKAC-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647776 937538003 /nfs/dbraw/zinc/53/80/03/937538003.db2.gz AYSAZFOEUFDKAC-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647776 937538005 /nfs/dbraw/zinc/53/80/05/937538005.db2.gz AYSAZFOEUFDKAC-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001460647776 937538007 /nfs/dbraw/zinc/53/80/07/937538007.db2.gz AYSAZFOEUFDKAC-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000315147403 932030794 /nfs/dbraw/zinc/03/07/94/932030794.db2.gz SCBZFAWGZVJCSG-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP CCNc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC001461949968 937608116 /nfs/dbraw/zinc/60/81/16/937608116.db2.gz SDSWATSMHVAHKV-UHFFFAOYSA-N 2 2 284.407 3.221 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC001462200113 937625088 /nfs/dbraw/zinc/62/50/88/937625088.db2.gz NUWZUBWYWKDCTB-CABCVRRESA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC001462200113 937625089 /nfs/dbraw/zinc/62/50/89/937625089.db2.gz NUWZUBWYWKDCTB-CABCVRRESA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCCc2ccc(C)cc2C)C1 ZINC001462505235 937646157 /nfs/dbraw/zinc/64/61/57/937646157.db2.gz MOPGOIBSZDGQKJ-SFHVURJKSA-N 2 2 274.452 3.310 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CCCc2ccc(C)cc2C)C1 ZINC001462505235 937646158 /nfs/dbraw/zinc/64/61/58/937646158.db2.gz MOPGOIBSZDGQKJ-SFHVURJKSA-N 2 2 274.452 3.310 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001462648233 937656647 /nfs/dbraw/zinc/65/66/47/937656647.db2.gz QRUYCOOZNYYBOE-OKZBNKHCSA-N 2 2 274.452 3.356 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H]2CCCC(C)(C)C2)CCSC1 ZINC001308298059 933091424 /nfs/dbraw/zinc/09/14/24/933091424.db2.gz NDIRFMVNWOUTBL-GOEBONIOSA-N 2 2 284.513 3.230 20 0 CGADLP CC[C@](C)(C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)OC ZINC001308716965 933164910 /nfs/dbraw/zinc/16/49/10/933164910.db2.gz WQQLDLGNOGZSJA-QGZVFWFLSA-N 2 2 296.499 3.437 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001308904790 933200591 /nfs/dbraw/zinc/20/05/91/933200591.db2.gz UQNBPVITLCODMQ-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904790 933200594 /nfs/dbraw/zinc/20/05/94/933200594.db2.gz UQNBPVITLCODMQ-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904790 933200595 /nfs/dbraw/zinc/20/05/95/933200595.db2.gz UQNBPVITLCODMQ-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904790 933200598 /nfs/dbraw/zinc/20/05/98/933200598.db2.gz UQNBPVITLCODMQ-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP CCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318518974 933740203 /nfs/dbraw/zinc/74/02/03/933740203.db2.gz WAROONXRGMUKQN-GFCCVEGCSA-N 2 2 286.379 3.341 20 0 CGADLP CCCC[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001321201328 934162614 /nfs/dbraw/zinc/16/26/14/934162614.db2.gz QQDGPXMKZJWVIV-LBPRGKRZSA-N 2 2 286.379 3.341 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473383031 937804589 /nfs/dbraw/zinc/80/45/89/937804589.db2.gz CADGPLSBYFPJKS-QKPAOTATSA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001473383031 937804590 /nfs/dbraw/zinc/80/45/90/937804590.db2.gz CADGPLSBYFPJKS-QKPAOTATSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC001325134705 934888496 /nfs/dbraw/zinc/88/84/96/934888496.db2.gz XLQMWHDUIHZNDE-TWMKSMIVSA-N 2 2 294.483 3.043 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC001325134705 934888503 /nfs/dbraw/zinc/88/85/03/934888503.db2.gz XLQMWHDUIHZNDE-TWMKSMIVSA-N 2 2 294.483 3.043 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CC1(C)C ZINC001473562841 937811330 /nfs/dbraw/zinc/81/13/30/937811330.db2.gz UKBDQAUATKMWMS-FPCVCCKLSA-N 2 2 266.473 3.379 20 0 CGADLP CCc1cccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001473689919 937817658 /nfs/dbraw/zinc/81/76/58/937817658.db2.gz RWWPWJBINLHPKT-HDICACEKSA-N 2 2 272.436 3.023 20 0 CGADLP CCc1cccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001473689919 937817660 /nfs/dbraw/zinc/81/76/60/937817660.db2.gz RWWPWJBINLHPKT-HDICACEKSA-N 2 2 272.436 3.023 20 0 CGADLP CCc1cccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001473689919 937817663 /nfs/dbraw/zinc/81/76/63/937817663.db2.gz RWWPWJBINLHPKT-HDICACEKSA-N 2 2 272.436 3.023 20 0 CGADLP CCc1cccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001473689919 937817664 /nfs/dbraw/zinc/81/76/64/937817664.db2.gz RWWPWJBINLHPKT-HDICACEKSA-N 2 2 272.436 3.023 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001329176394 935194165 /nfs/dbraw/zinc/19/41/65/935194165.db2.gz GSCONUXFCLXOCC-GFCCVEGCSA-N 2 2 293.282 3.377 20 0 CGADLP CCCOc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001474034689 937836932 /nfs/dbraw/zinc/83/69/32/937836932.db2.gz FAEPEEBNSCYFMW-UHFFFAOYSA-N 2 2 299.418 3.462 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC001560259531 938249924 /nfs/dbraw/zinc/24/99/24/938249924.db2.gz RHOGVSUQEQVYQJ-IBGZPJMESA-N 2 2 288.479 3.500 20 0 CGADLP Fc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc(F)c1F ZINC001560364975 938255572 /nfs/dbraw/zinc/25/55/72/938255572.db2.gz GKCQUGLEOCQLLM-UHFFFAOYSA-N 2 2 295.308 3.091 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001561039339 938291254 /nfs/dbraw/zinc/29/12/54/938291254.db2.gz PKXMCZVHGZLKNV-GJZGRUSLSA-N 2 2 272.477 3.004 20 0 CGADLP CCn1c2ccc(Cl)cc2[nH+]c1NCC1CC[NH2+]CC1 ZINC001578342397 962581472 /nfs/dbraw/zinc/58/14/72/962581472.db2.gz ONSXAQXTBTZXNH-UHFFFAOYSA-N 2 2 292.814 3.121 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)sc1Cl ZINC001578572028 962596456 /nfs/dbraw/zinc/59/64/56/962596456.db2.gz ZURAARANPJQJIP-SSDOTTSWSA-N 2 2 267.225 3.143 20 0 CGADLP [NH3+][C@@H](C[NH2+]C1CCC2(CCC2)CC1)c1ccccc1 ZINC001580132321 962696863 /nfs/dbraw/zinc/69/68/63/962696863.db2.gz MQOWKJBGFOQWMY-INIZCTEOSA-N 2 2 258.409 3.389 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124438048 187137025 /nfs/dbraw/zinc/13/70/25/187137025.db2.gz YYCLDYUXMLAFPW-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124438048 187137026 /nfs/dbraw/zinc/13/70/26/187137026.db2.gz YYCLDYUXMLAFPW-CYBMUJFWSA-N 2 2 261.344 3.105 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CC2(F)F)n1-c1ccccc1 ZINC000621378015 349512972 /nfs/dbraw/zinc/51/29/72/349512972.db2.gz LKZWKZDUKCJQOP-CYBMUJFWSA-N 2 2 291.345 3.316 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)oc1C ZINC000337485658 214114029 /nfs/dbraw/zinc/11/40/29/214114029.db2.gz SHJLIBPFCYGZAZ-CABCVRRESA-N 2 2 294.439 3.048 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)oc1C ZINC000337485658 214114031 /nfs/dbraw/zinc/11/40/31/214114031.db2.gz SHJLIBPFCYGZAZ-CABCVRRESA-N 2 2 294.439 3.048 20 0 CGADLP CCc1cc(OC)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000337496617 214121200 /nfs/dbraw/zinc/12/12/00/214121200.db2.gz FYCPPKNAELUUQJ-UHFFFAOYSA-N 2 2 299.418 3.291 20 0 CGADLP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000273065654 192033758 /nfs/dbraw/zinc/03/37/58/192033758.db2.gz NKLSCDFHYPKSOO-HOTGVXAUSA-N 2 2 299.418 3.167 20 0 CGADLP Cn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000125230723 187175165 /nfs/dbraw/zinc/17/51/65/187175165.db2.gz RENOVLSTOHMARN-UHFFFAOYSA-N 2 2 297.406 3.216 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863324 398297609 /nfs/dbraw/zinc/29/76/09/398297609.db2.gz CZVPCAFNPCTFEN-WBMJQRKESA-N 2 2 286.444 3.474 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863324 398297611 /nfs/dbraw/zinc/29/76/11/398297611.db2.gz CZVPCAFNPCTFEN-WBMJQRKESA-N 2 2 286.444 3.474 20 0 CGADLP CCc1nocc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651909931 398304427 /nfs/dbraw/zinc/30/44/27/398304427.db2.gz AVPMDFHLZFYFTA-UHFFFAOYSA-N 2 2 293.455 3.371 20 0 CGADLP CCc1nocc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000651909931 398304429 /nfs/dbraw/zinc/30/44/29/398304429.db2.gz AVPMDFHLZFYFTA-UHFFFAOYSA-N 2 2 293.455 3.371 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337999326 214353055 /nfs/dbraw/zinc/35/30/55/214353055.db2.gz OTZNLYQOFJCTPK-LSDHHAIUSA-N 2 2 259.397 3.052 20 0 CGADLP c1ccc(NCCC[NH2+][C@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000337999307 214353442 /nfs/dbraw/zinc/35/34/42/214353442.db2.gz OTZNLYQOFJCTPK-GJZGRUSLSA-N 2 2 259.397 3.052 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437080244 529436972 /nfs/dbraw/zinc/43/69/72/529436972.db2.gz YZYVNTUIMQYAKH-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@@H]1C ZINC000414079597 529584716 /nfs/dbraw/zinc/58/47/16/529584716.db2.gz TUBHTKHUWCMYFL-WBAXXEDZSA-N 2 2 287.451 3.070 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000350895839 219068261 /nfs/dbraw/zinc/06/82/61/219068261.db2.gz LDTQVIICQQXPME-CVEARBPZSA-N 2 2 296.499 3.292 20 0 CGADLP CC1CCC([NH2+]CC2CC[NH+](CC(F)F)CC2)CC1 ZINC000623088959 349759182 /nfs/dbraw/zinc/75/91/82/349759182.db2.gz NTOZVKKEZGBOSZ-UHFFFAOYSA-N 2 2 274.399 3.132 20 0 CGADLP CCc1ccc[nH+]c1NCc1ccc(N(C)CC)[nH+]c1 ZINC000358377999 529621849 /nfs/dbraw/zinc/62/18/49/529621849.db2.gz JSSCEAKGVKEBFO-UHFFFAOYSA-N 2 2 270.380 3.107 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000423241228 529620222 /nfs/dbraw/zinc/62/02/22/529620222.db2.gz UUHWRRHZHBZZKE-KGLIPLIRSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623363063 349790316 /nfs/dbraw/zinc/79/03/16/349790316.db2.gz WHOCFEBEJCPIQA-IPYPFGDCSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623363063 349790319 /nfs/dbraw/zinc/79/03/19/349790319.db2.gz WHOCFEBEJCPIQA-IPYPFGDCSA-N 2 2 276.424 3.365 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623414479 349802669 /nfs/dbraw/zinc/80/26/69/349802669.db2.gz FNSRVYTYJNZGNF-VXGBXAGGSA-N 2 2 281.469 3.229 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623414479 349802674 /nfs/dbraw/zinc/80/26/74/349802674.db2.gz FNSRVYTYJNZGNF-VXGBXAGGSA-N 2 2 281.469 3.229 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411958 349801817 /nfs/dbraw/zinc/80/18/17/349801817.db2.gz ROKQJWYWEHDCPM-ZFWWWQNUSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411958 349801821 /nfs/dbraw/zinc/80/18/21/349801821.db2.gz ROKQJWYWEHDCPM-ZFWWWQNUSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867358 346942986 /nfs/dbraw/zinc/94/29/86/346942986.db2.gz PKDBCWGXKVUHJG-ZBFHGGJFSA-N 2 2 255.365 3.281 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867358 346942988 /nfs/dbraw/zinc/94/29/88/346942988.db2.gz PKDBCWGXKVUHJG-ZBFHGGJFSA-N 2 2 255.365 3.281 20 0 CGADLP Cc1nocc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351351179 219093977 /nfs/dbraw/zinc/09/39/77/219093977.db2.gz NLYIRFMUAOSHDN-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP Cc1nocc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351351179 219093978 /nfs/dbraw/zinc/09/39/78/219093978.db2.gz NLYIRFMUAOSHDN-MRXNPFEDSA-N 2 2 291.439 3.071 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC(C1CCC1)C1CCC1)CCC2 ZINC000623593397 349843433 /nfs/dbraw/zinc/84/34/33/349843433.db2.gz HRUHLJWJLVDPEM-UHFFFAOYSA-N 2 2 273.424 3.135 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2ccoc21 ZINC000449324365 529899199 /nfs/dbraw/zinc/89/91/99/529899199.db2.gz DUQPECIVUUPVOS-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2ccoc21 ZINC000449324365 529899200 /nfs/dbraw/zinc/89/92/00/529899200.db2.gz DUQPECIVUUPVOS-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423249232 529979005 /nfs/dbraw/zinc/97/90/05/529979005.db2.gz SAEFDLXYWOKJLR-HNNXBMFYSA-N 2 2 294.851 3.494 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH+](C)C1 ZINC000171709455 529986142 /nfs/dbraw/zinc/98/61/42/529986142.db2.gz RYJNOFIPZZPKRK-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH+](C)C1 ZINC000171709455 529986143 /nfs/dbraw/zinc/98/61/43/529986143.db2.gz RYJNOFIPZZPKRK-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000171709455 529986144 /nfs/dbraw/zinc/98/61/44/529986144.db2.gz RYJNOFIPZZPKRK-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000171709455 529986145 /nfs/dbraw/zinc/98/61/45/529986145.db2.gz RYJNOFIPZZPKRK-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436285654 530057852 /nfs/dbraw/zinc/05/78/52/530057852.db2.gz FPYZTCFENGVZBK-KZNAEPCWSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436285654 530057853 /nfs/dbraw/zinc/05/78/53/530057853.db2.gz FPYZTCFENGVZBK-KZNAEPCWSA-N 2 2 272.436 3.082 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672466 344964976 /nfs/dbraw/zinc/96/49/76/344964976.db2.gz GJRJBIIVPSDILT-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672466 344964977 /nfs/dbraw/zinc/96/49/77/344964977.db2.gz GJRJBIIVPSDILT-INIZCTEOSA-N 2 2 276.424 3.049 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000034442235 344939681 /nfs/dbraw/zinc/93/96/81/344939681.db2.gz QAAZDEKPTHBGHT-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000034442235 344939686 /nfs/dbraw/zinc/93/96/86/344939686.db2.gz QAAZDEKPTHBGHT-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000045135232 345021035 /nfs/dbraw/zinc/02/10/35/345021035.db2.gz ICSWHJHPEUFWFW-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000045135232 345021038 /nfs/dbraw/zinc/02/10/38/345021038.db2.gz ICSWHJHPEUFWFW-GFCCVEGCSA-N 2 2 284.806 3.299 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000067384808 345320109 /nfs/dbraw/zinc/32/01/09/345320109.db2.gz RRTKPWULIKTGBL-QGZVFWFLSA-N 2 2 281.403 3.406 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000067384808 345320112 /nfs/dbraw/zinc/32/01/12/345320112.db2.gz RRTKPWULIKTGBL-QGZVFWFLSA-N 2 2 281.403 3.406 20 0 CGADLP Cc1nc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc[nH+]1 ZINC000078333938 345600595 /nfs/dbraw/zinc/60/05/95/345600595.db2.gz ZMINXVZIMCTVOM-QGZVFWFLSA-N 2 2 296.418 3.424 20 0 CGADLP COc1cccc2c(N[C@@H](C)C3CC[NH+](C)CC3)cc[nH+]c12 ZINC000623969179 349932555 /nfs/dbraw/zinc/93/25/55/349932555.db2.gz XUUZYLLYUKGGLO-ZDUSSCGKSA-N 2 2 299.418 3.386 20 0 CGADLP CC1(C)Cc2cccc(C[NH2+]CCCCn3cc[nH+]c3)c2O1 ZINC000078005929 345588971 /nfs/dbraw/zinc/58/89/71/345588971.db2.gz AUUIWQXEVPTPFE-UHFFFAOYSA-N 2 2 299.418 3.167 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907529 345751473 /nfs/dbraw/zinc/75/14/73/345751473.db2.gz DQAJHNJHIHVSHC-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907529 345751476 /nfs/dbraw/zinc/75/14/76/345751476.db2.gz DQAJHNJHIHVSHC-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000088687287 345762941 /nfs/dbraw/zinc/76/29/41/345762941.db2.gz YLWTXFBFMVJCRB-KBXCAEBGSA-N 2 2 284.403 3.198 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000088687287 345762946 /nfs/dbraw/zinc/76/29/46/345762946.db2.gz YLWTXFBFMVJCRB-KBXCAEBGSA-N 2 2 284.403 3.198 20 0 CGADLP CC(C)c1cc(NCCC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000090065274 345779611 /nfs/dbraw/zinc/77/96/11/345779611.db2.gz JJBCVJHWRCRMNF-UHFFFAOYSA-N 2 2 264.417 3.087 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cn1 ZINC000092766590 345857761 /nfs/dbraw/zinc/85/77/61/345857761.db2.gz PLTHDKYJBJMACX-CYBMUJFWSA-N 2 2 291.414 3.278 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073838 345830558 /nfs/dbraw/zinc/83/05/58/345830558.db2.gz DCCXXRAWHSFKMX-LLVKDONJSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073838 345830560 /nfs/dbraw/zinc/83/05/60/345830560.db2.gz DCCXXRAWHSFKMX-LLVKDONJSA-N 2 2 277.318 3.068 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638544 345883678 /nfs/dbraw/zinc/88/36/78/345883678.db2.gz ISDXRMOSAJZALU-DGCLKSJQSA-N 2 2 270.804 3.095 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638544 345883681 /nfs/dbraw/zinc/88/36/81/345883681.db2.gz ISDXRMOSAJZALU-DGCLKSJQSA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638544 345883685 /nfs/dbraw/zinc/88/36/85/345883685.db2.gz ISDXRMOSAJZALU-DGCLKSJQSA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638544 345883690 /nfs/dbraw/zinc/88/36/90/345883690.db2.gz ISDXRMOSAJZALU-DGCLKSJQSA-N 2 2 270.804 3.095 20 0 CGADLP CC(C)(C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131803580 346067848 /nfs/dbraw/zinc/06/78/48/346067848.db2.gz DRURLNSFQBMZKV-UHFFFAOYSA-N 2 2 257.381 3.184 20 0 CGADLP CC(C)(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131803580 346067852 /nfs/dbraw/zinc/06/78/52/346067852.db2.gz DRURLNSFQBMZKV-UHFFFAOYSA-N 2 2 257.381 3.184 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000624101100 349970702 /nfs/dbraw/zinc/97/07/02/349970702.db2.gz JLZMSWTYBRFFCD-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000624101100 349970706 /nfs/dbraw/zinc/97/07/06/349970706.db2.gz JLZMSWTYBRFFCD-IKGGRYGDSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)ccc1F ZINC000584583500 346684714 /nfs/dbraw/zinc/68/47/14/346684714.db2.gz XREZXDHZDHZBBU-KSSFIOAISA-N 2 2 299.393 3.455 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)ccc1F ZINC000584583500 346684716 /nfs/dbraw/zinc/68/47/16/346684716.db2.gz XREZXDHZDHZBBU-KSSFIOAISA-N 2 2 299.393 3.455 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339265716 215050435 /nfs/dbraw/zinc/05/04/35/215050435.db2.gz UDVYNYMLEANJKS-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000343093237 282520082 /nfs/dbraw/zinc/52/00/82/282520082.db2.gz GWUYVQRYKIYANQ-OAHLLOKOSA-N 2 2 264.800 3.013 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000595034150 347264682 /nfs/dbraw/zinc/26/46/82/347264682.db2.gz VHAWKUYWSPSADQ-YCPHGPKFSA-N 2 2 298.471 3.359 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccncc1Cl ZINC000624123075 349981078 /nfs/dbraw/zinc/98/10/78/349981078.db2.gz FLPFBQXXXXCAEO-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123075 349981080 /nfs/dbraw/zinc/98/10/80/349981080.db2.gz FLPFBQXXXXCAEO-STQMWFEESA-N 2 2 281.831 3.118 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997779 348141749 /nfs/dbraw/zinc/14/17/49/348141749.db2.gz IWQPKJAMVPUDIF-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000604997779 348141752 /nfs/dbraw/zinc/14/17/52/348141752.db2.gz IWQPKJAMVPUDIF-KRWDZBQOSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434184 215166647 /nfs/dbraw/zinc/16/66/47/215166647.db2.gz SHLCFWHYJZSHNM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434184 215166648 /nfs/dbraw/zinc/16/66/48/215166648.db2.gz SHLCFWHYJZSHNM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434184 215166650 /nfs/dbraw/zinc/16/66/50/215166650.db2.gz SHLCFWHYJZSHNM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434184 215166652 /nfs/dbraw/zinc/16/66/52/215166652.db2.gz SHLCFWHYJZSHNM-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434698 215167056 /nfs/dbraw/zinc/16/70/56/215167056.db2.gz WNRAGOJSHLDBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434698 215167058 /nfs/dbraw/zinc/16/70/58/215167058.db2.gz WNRAGOJSHLDBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434698 215167060 /nfs/dbraw/zinc/16/70/60/215167060.db2.gz WNRAGOJSHLDBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)C1 ZINC000339434698 215167063 /nfs/dbraw/zinc/16/70/63/215167063.db2.gz WNRAGOJSHLDBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608083032 348283782 /nfs/dbraw/zinc/28/37/82/348283782.db2.gz LHPVCYGLHJDFGZ-CQSZACIVSA-N 2 2 296.349 3.412 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433791 215168494 /nfs/dbraw/zinc/16/84/94/215168494.db2.gz FNRRHTWUWLRZOZ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433791 215168496 /nfs/dbraw/zinc/16/84/96/215168496.db2.gz FNRRHTWUWLRZOZ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433791 215168497 /nfs/dbraw/zinc/16/84/97/215168497.db2.gz FNRRHTWUWLRZOZ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000339433791 215168499 /nfs/dbraw/zinc/16/84/99/215168499.db2.gz FNRRHTWUWLRZOZ-MRXNPFEDSA-N 2 2 278.827 3.258 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434407 215168548 /nfs/dbraw/zinc/16/85/48/215168548.db2.gz WEUAHVSZRHFBGX-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434407 215168549 /nfs/dbraw/zinc/16/85/49/215168549.db2.gz WEUAHVSZRHFBGX-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434407 215168552 /nfs/dbraw/zinc/16/85/52/215168552.db2.gz WEUAHVSZRHFBGX-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000339434407 215168555 /nfs/dbraw/zinc/16/85/55/215168555.db2.gz WEUAHVSZRHFBGX-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624188557 349996461 /nfs/dbraw/zinc/99/64/61/349996461.db2.gz VTCMGDZBMMDWRM-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624188557 349996466 /nfs/dbraw/zinc/99/64/66/349996466.db2.gz VTCMGDZBMMDWRM-UKRRQHHQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC([NH3+])CC1 ZINC000034958671 290227048 /nfs/dbraw/zinc/22/70/48/290227048.db2.gz KAFKLGZODWKBTD-SECBINFHSA-N 2 2 273.207 3.478 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000619770957 349284212 /nfs/dbraw/zinc/28/42/12/349284212.db2.gz CRWCKVQNXYKCLJ-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000619770957 349284213 /nfs/dbraw/zinc/28/42/13/349284213.db2.gz CRWCKVQNXYKCLJ-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP CC[NH+]1CCC([NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000624345231 350030273 /nfs/dbraw/zinc/03/02/73/350030273.db2.gz ZTSUOGCLOMZVEV-UHFFFAOYSA-N 2 2 294.389 3.418 20 0 CGADLP Clc1ccc(/C=C\C[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625437345 350171731 /nfs/dbraw/zinc/17/17/31/350171731.db2.gz PHFXCEPJYQGMIH-UPHRSURJSA-N 2 2 273.767 3.135 20 0 CGADLP Clc1ccc(/C=C\C[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000625437345 350171732 /nfs/dbraw/zinc/17/17/32/350171732.db2.gz PHFXCEPJYQGMIH-UPHRSURJSA-N 2 2 273.767 3.135 20 0 CGADLP FC(F)(F)c1cccc(CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC000628199166 350437153 /nfs/dbraw/zinc/43/71/53/350437153.db2.gz GERGKSKGIOQXGX-UHFFFAOYSA-N 2 2 297.324 3.124 20 0 CGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000628166936 350418914 /nfs/dbraw/zinc/41/89/14/350418914.db2.gz YPCYYBJZIDOTAM-CABCVRRESA-N 2 2 279.453 3.114 20 0 CGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628166936 350418917 /nfs/dbraw/zinc/41/89/17/350418917.db2.gz YPCYYBJZIDOTAM-CABCVRRESA-N 2 2 279.453 3.114 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628214432 350444146 /nfs/dbraw/zinc/44/41/46/350444146.db2.gz XHIRIJCDPIKZMQ-RBSFLKMASA-N 2 2 270.486 3.125 20 0 CGADLP Cc1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000628241088 350461768 /nfs/dbraw/zinc/46/17/68/350461768.db2.gz ICIWONMNCGNCRV-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C2CC2)c1 ZINC000629535799 350705062 /nfs/dbraw/zinc/70/50/62/350705062.db2.gz DETLYFXMWWKFKF-IIYDPXPESA-N 2 2 258.409 3.355 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1nccc2ccccc21 ZINC000629536501 350705895 /nfs/dbraw/zinc/70/58/95/350705895.db2.gz FNAMWFFXPIOAEU-IPYPFGDCSA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C[NH2+]1 ZINC000629540201 350706675 /nfs/dbraw/zinc/70/66/75/350706675.db2.gz RGPARSITUXHHMD-KMFMINBZSA-N 2 2 258.409 3.184 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000629540639 350707446 /nfs/dbraw/zinc/70/74/46/350707446.db2.gz RPTVCQJSTGEJCF-GVXVVHGQSA-N 2 2 282.428 3.339 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC000629543046 350708698 /nfs/dbraw/zinc/70/86/98/350708698.db2.gz ROXAGIOMERDTIR-RLCCDNCMSA-N 2 2 262.372 3.007 20 0 CGADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546872 350710122 /nfs/dbraw/zinc/71/01/22/350710122.db2.gz QFELZXXMQKWGLS-GRDNDAEWSA-N 2 2 276.424 3.267 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCCO2 ZINC000629546603 350710260 /nfs/dbraw/zinc/71/02/60/350710260.db2.gz UFUKEMNRNODTHP-NILFDRSVSA-N 2 2 294.826 3.202 20 0 CGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCS2 ZINC000629546942 350710444 /nfs/dbraw/zinc/71/04/44/350710444.db2.gz ZPUXQDXVSHOSPV-CFVMTHIKSA-N 2 2 276.449 3.180 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000629547243 350710561 /nfs/dbraw/zinc/71/05/61/350710561.db2.gz IDXVGMYFRZJUPX-COLVAYQJSA-N 2 2 264.800 3.131 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000629548827 350711123 /nfs/dbraw/zinc/71/11/23/350711123.db2.gz RBLVYILKLVSDBA-ZEGGKSINSA-N 2 2 285.218 3.321 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C[NH2+]1 ZINC000629416766 350690757 /nfs/dbraw/zinc/69/07/57/350690757.db2.gz VLAZUIJZLAZYNU-YPMHNXCESA-N 2 2 289.810 3.118 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(Br)c1 ZINC000629523199 350701222 /nfs/dbraw/zinc/70/12/22/350701222.db2.gz BIEAFEWDDBBGLI-DDTOSNHZSA-N 2 2 297.240 3.240 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2OC)cc1 ZINC000629651661 350730628 /nfs/dbraw/zinc/73/06/28/350730628.db2.gz WBOINJWYVFLXLA-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2OC)cc1 ZINC000629651661 350730629 /nfs/dbraw/zinc/73/06/29/350730629.db2.gz WBOINJWYVFLXLA-UHFFFAOYSA-N 2 2 284.403 3.143 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000629697283 350741240 /nfs/dbraw/zinc/74/12/40/350741240.db2.gz ZBKRWNDEDFGSSL-UHFFFAOYSA-N 2 2 267.376 3.317 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000263702224 535153858 /nfs/dbraw/zinc/15/38/58/535153858.db2.gz LUHUERPVUNZVDL-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000263702224 535153863 /nfs/dbraw/zinc/15/38/63/535153863.db2.gz LUHUERPVUNZVDL-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000631114326 350958719 /nfs/dbraw/zinc/95/87/19/350958719.db2.gz BPGZGDTZKAZOPS-PYTPGESOSA-N 2 2 295.430 3.426 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000631141738 350967629 /nfs/dbraw/zinc/96/76/29/350967629.db2.gz WNLRZTGGMIAINA-BDUNBXCCSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000631141738 350967632 /nfs/dbraw/zinc/96/76/32/350967632.db2.gz WNLRZTGGMIAINA-BDUNBXCCSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)F)n1-c1ccccc1 ZINC000631190099 350984452 /nfs/dbraw/zinc/98/44/52/350984452.db2.gz WYFHBTXSNDSDLR-UHFFFAOYSA-N 2 2 261.344 3.018 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284976 351016542 /nfs/dbraw/zinc/01/65/42/351016542.db2.gz WFSKCFJOEBTADS-HUUCEWRRSA-N 2 2 282.378 3.299 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)CC1(C)C ZINC000631284976 351016545 /nfs/dbraw/zinc/01/65/45/351016545.db2.gz WFSKCFJOEBTADS-HUUCEWRRSA-N 2 2 282.378 3.299 20 0 CGADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C)ccn1 ZINC000631561631 351067264 /nfs/dbraw/zinc/06/72/64/351067264.db2.gz PKYPFMSMTMYOLF-HNNXBMFYSA-N 2 2 272.396 3.108 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CCC2 ZINC000631650330 351106183 /nfs/dbraw/zinc/10/61/83/351106183.db2.gz NMTMXXKEIIRBIE-YJBOKZPZSA-N 2 2 285.435 3.066 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000631650330 351106187 /nfs/dbraw/zinc/10/61/87/351106187.db2.gz NMTMXXKEIIRBIE-YJBOKZPZSA-N 2 2 285.435 3.066 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000631572915 351071385 /nfs/dbraw/zinc/07/13/85/351071385.db2.gz OKMOZUDRMCIXDC-GDBMZVCRSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000631572915 351071387 /nfs/dbraw/zinc/07/13/87/351071387.db2.gz OKMOZUDRMCIXDC-GDBMZVCRSA-N 2 2 285.435 3.173 20 0 CGADLP FC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000631798535 351144522 /nfs/dbraw/zinc/14/45/22/351144522.db2.gz UZAJHHGIKQYZMV-INIZCTEOSA-N 2 2 280.362 3.053 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCC2 ZINC000634997746 351620657 /nfs/dbraw/zinc/62/06/57/351620657.db2.gz RLWFKWQUSRXCRZ-YWCUFVOSSA-N 2 2 276.811 3.059 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCSC2)n1-c1ccccc1 ZINC000122176467 187019437 /nfs/dbraw/zinc/01/94/37/187019437.db2.gz WCKOEKHVHTVJMM-CQSZACIVSA-N 2 2 287.432 3.166 20 0 CGADLP COCC[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000339862209 215371237 /nfs/dbraw/zinc/37/12/37/215371237.db2.gz MAJHASMYHWNKTB-KRWDZBQOSA-N 2 2 299.418 3.367 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000365833264 234132494 /nfs/dbraw/zinc/13/24/94/234132494.db2.gz QHYTVCDOZIVRHD-WPTTZPOMSA-N 2 2 299.393 3.452 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000365833264 234132496 /nfs/dbraw/zinc/13/24/96/234132496.db2.gz QHYTVCDOZIVRHD-WPTTZPOMSA-N 2 2 299.393 3.452 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271618273 191245178 /nfs/dbraw/zinc/24/51/78/191245178.db2.gz DIHMVESVRRIFKT-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271618273 191245179 /nfs/dbraw/zinc/24/51/79/191245179.db2.gz DIHMVESVRRIFKT-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000367368872 234208902 /nfs/dbraw/zinc/20/89/02/234208902.db2.gz XUMUQNBDVZJDIR-RDJZCZTQSA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000367368872 234208906 /nfs/dbraw/zinc/20/89/06/234208906.db2.gz XUMUQNBDVZJDIR-RDJZCZTQSA-N 2 2 299.418 3.156 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191364 198197020 /nfs/dbraw/zinc/19/70/20/198197020.db2.gz RJPVDDXQGWNZBE-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191364 198197022 /nfs/dbraw/zinc/19/70/22/198197022.db2.gz RJPVDDXQGWNZBE-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191364 198197023 /nfs/dbraw/zinc/19/70/23/198197023.db2.gz RJPVDDXQGWNZBE-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292191364 198197025 /nfs/dbraw/zinc/19/70/25/198197025.db2.gz RJPVDDXQGWNZBE-HNNXBMFYSA-N 2 2 298.352 3.233 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367584895 234228645 /nfs/dbraw/zinc/22/86/45/234228645.db2.gz BMGPTZCBUKZIOA-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367584895 234228649 /nfs/dbraw/zinc/22/86/49/234228649.db2.gz BMGPTZCBUKZIOA-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Fc1cccc(CCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000367917979 234260864 /nfs/dbraw/zinc/26/08/64/234260864.db2.gz OWPXXTUBPVOZGX-UHFFFAOYSA-N 2 2 287.382 3.361 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000152470897 188021289 /nfs/dbraw/zinc/02/12/89/188021289.db2.gz OOTFPNFVYLDOLB-TZMCWYRMSA-N 2 2 298.377 3.169 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000152470897 188021291 /nfs/dbraw/zinc/02/12/91/188021291.db2.gz OOTFPNFVYLDOLB-TZMCWYRMSA-N 2 2 298.377 3.169 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc3ccccc31)C2 ZINC000368229343 234293891 /nfs/dbraw/zinc/29/38/91/234293891.db2.gz SKMWYADBKRANPL-OAHLLOKOSA-N 2 2 277.371 3.210 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc3ccccc31)CC2 ZINC000368229343 234293894 /nfs/dbraw/zinc/29/38/94/234293894.db2.gz SKMWYADBKRANPL-OAHLLOKOSA-N 2 2 277.371 3.210 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000155646825 188219374 /nfs/dbraw/zinc/21/93/74/188219374.db2.gz NGXZXSGCURMBQS-LBPRGKRZSA-N 2 2 295.333 3.144 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)oc1C ZINC000369226451 234363171 /nfs/dbraw/zinc/36/31/71/234363171.db2.gz USJHVTIYGJPSMY-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccncc1 ZINC000156398121 188259931 /nfs/dbraw/zinc/25/99/31/188259931.db2.gz FLJUQWVRBKMGDW-AWEZNQCLSA-N 2 2 294.402 3.481 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885653 282995765 /nfs/dbraw/zinc/99/57/65/282995765.db2.gz WYOGOCUDLXWKIB-GDBMZVCRSA-N 2 2 285.366 3.004 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000366942752 283006697 /nfs/dbraw/zinc/00/66/97/283006697.db2.gz HDWQMTUAGJEBQV-MRXNPFEDSA-N 2 2 285.366 3.136 20 0 CGADLP Fc1cccc(F)c1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000336379741 213233578 /nfs/dbraw/zinc/23/35/78/213233578.db2.gz LGEVPRLSXGFOQY-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cccc(F)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336379741 213233580 /nfs/dbraw/zinc/23/35/80/213233580.db2.gz LGEVPRLSXGFOQY-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411339735 235049626 /nfs/dbraw/zinc/04/96/26/235049626.db2.gz ZBDUZUJWCZPOAM-SQNIBIBYSA-N 2 2 299.393 3.351 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCC2 ZINC000271822223 191348920 /nfs/dbraw/zinc/34/89/20/191348920.db2.gz CKLJEOBIRLTXTB-IAGOWNOFSA-N 2 2 288.435 3.260 20 0 CGADLP Cc1ccc(-c2cccc(C[NH2+][C@H]3CC[NH2+]C3)c2)cc1 ZINC000414889341 235490121 /nfs/dbraw/zinc/49/01/21/235490121.db2.gz TXWAOLWJUAEAPH-SFHVURJKSA-N 2 2 266.388 3.114 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[NH+](C)C ZINC000462790501 535313017 /nfs/dbraw/zinc/31/30/17/535313017.db2.gz NNWRHLXDEVPLQP-XMTFNYHQSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000186980740 535313237 /nfs/dbraw/zinc/31/32/37/535313237.db2.gz OETRKFSZFISLLQ-UKRRQHHQSA-N 2 2 272.502 3.084 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000091307941 138343629 /nfs/dbraw/zinc/34/36/29/138343629.db2.gz ZPTHNZCDYSWIPC-NVXWUHKLSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000091307941 138343630 /nfs/dbraw/zinc/34/36/30/138343630.db2.gz ZPTHNZCDYSWIPC-NVXWUHKLSA-N 2 2 276.424 3.076 20 0 CGADLP C[C@H]([NH3+])CC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423223925 236001172 /nfs/dbraw/zinc/00/11/72/236001172.db2.gz HYRPWOIOWFECFH-SCLBCKFNSA-N 2 2 295.386 3.244 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)c1ccccc1 ZINC000423239963 236006373 /nfs/dbraw/zinc/00/63/73/236006373.db2.gz BYFWEAFGTOLSPS-DLBZAZTESA-N 2 2 258.409 3.245 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247653 236008224 /nfs/dbraw/zinc/00/82/24/236008224.db2.gz QQLPEESMTMOEDB-WMLDXEAASA-N 2 2 254.377 3.346 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000423252585 236009552 /nfs/dbraw/zinc/00/95/52/236009552.db2.gz XRTXUZFOHXNTNO-RBUKOAKNSA-N 2 2 280.415 3.297 20 0 CGADLP COC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)C(C)C ZINC000423254296 236010043 /nfs/dbraw/zinc/01/00/43/236010043.db2.gz ZVHMPXXHWDBQIO-IAGOWNOFSA-N 2 2 278.440 3.070 20 0 CGADLP Cc1cc2cc([C@H](C)[NH2+][C@H](C[NH3+])C3CC3)oc2cc1C ZINC000423279603 236020287 /nfs/dbraw/zinc/02/02/87/236020287.db2.gz RPXBQGKFZMWZSH-SWLSCSKDSA-N 2 2 272.392 3.438 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000423265760 236014308 /nfs/dbraw/zinc/01/43/08/236014308.db2.gz CYNORPXNCQKDHP-YXJHDRRASA-N 3 2 298.434 3.040 20 0 CGADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H](C)C[NH3+])cs2)cs1 ZINC000423320829 236038486 /nfs/dbraw/zinc/03/84/86/236038486.db2.gz GSTQGZBHSOJLDU-RKDXNWHRSA-N 2 2 281.450 3.178 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000423336995 236043005 /nfs/dbraw/zinc/04/30/05/236043005.db2.gz VDJIGKOZUHPWKL-HUUCEWRRSA-N 2 2 284.403 3.263 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1SC ZINC000423355354 236048081 /nfs/dbraw/zinc/04/80/81/236048081.db2.gz FFWKDXLSPAXOSH-OBJOEFQTSA-N 2 2 294.464 3.066 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423358243 236049737 /nfs/dbraw/zinc/04/97/37/236049737.db2.gz JAWJKRMJZOHTCA-LERXQTSPSA-N 2 2 296.867 3.465 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]1 ZINC000423378511 236055897 /nfs/dbraw/zinc/05/58/97/236055897.db2.gz LDYZLBUCGPZGNJ-QBIMZIAESA-N 2 2 299.393 3.040 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000423509306 236089409 /nfs/dbraw/zinc/08/94/09/236089409.db2.gz JKOPYYSCIXWIQP-MEDUHNTESA-N 2 2 280.387 3.002 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)oc1C ZINC000423507181 236089725 /nfs/dbraw/zinc/08/97/25/236089725.db2.gz PTLJYCORPYRHAC-RISCZKNCSA-N 2 2 250.386 3.065 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423542994 236096155 /nfs/dbraw/zinc/09/61/55/236096155.db2.gz BMZILQLXWVXIQK-JSGCOSHPSA-N 2 2 258.365 3.226 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000424335250 236152578 /nfs/dbraw/zinc/15/25/78/236152578.db2.gz PADYVFRBGMPEQB-VXGBXAGGSA-N 2 2 293.461 3.231 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000353994353 283342407 /nfs/dbraw/zinc/34/24/07/283342407.db2.gz AVIWSONIHJSOOX-RDJZCZTQSA-N 2 2 288.435 3.364 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000353994353 283342410 /nfs/dbraw/zinc/34/24/10/283342410.db2.gz AVIWSONIHJSOOX-RDJZCZTQSA-N 2 2 288.435 3.364 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000437776578 237345178 /nfs/dbraw/zinc/34/51/78/237345178.db2.gz PONWSHKKAOOKLD-WWGRRREGSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000437776578 237345185 /nfs/dbraw/zinc/34/51/85/237345185.db2.gz PONWSHKKAOOKLD-WWGRRREGSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000341902141 216146417 /nfs/dbraw/zinc/14/64/17/216146417.db2.gz UUKUUNHYWXHCLI-AEFFLSMTSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000341902141 216146418 /nfs/dbraw/zinc/14/64/18/216146418.db2.gz UUKUUNHYWXHCLI-AEFFLSMTSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000341902142 216146677 /nfs/dbraw/zinc/14/66/77/216146677.db2.gz UUKUUNHYWXHCLI-FUHWJXTLSA-N 2 2 290.451 3.002 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000341902142 216146680 /nfs/dbraw/zinc/14/66/80/216146680.db2.gz UUKUUNHYWXHCLI-FUHWJXTLSA-N 2 2 290.451 3.002 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000177717918 189065079 /nfs/dbraw/zinc/06/50/79/189065079.db2.gz VHULFRUNXFFUFQ-QGZVFWFLSA-N 2 2 285.366 3.347 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000341996538 216181700 /nfs/dbraw/zinc/18/17/00/216181700.db2.gz RQOHYYHHZFSMAM-ZIAGYGMSSA-N 2 2 294.414 3.359 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000341996538 216181703 /nfs/dbraw/zinc/18/17/03/216181703.db2.gz RQOHYYHHZFSMAM-ZIAGYGMSSA-N 2 2 294.414 3.359 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178641480 189133942 /nfs/dbraw/zinc/13/39/42/189133942.db2.gz LRHIOMXTSFCBEZ-BXUZGUMPSA-N 2 2 290.382 3.453 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178641480 189133943 /nfs/dbraw/zinc/13/39/43/189133943.db2.gz LRHIOMXTSFCBEZ-BXUZGUMPSA-N 2 2 290.382 3.453 20 0 CGADLP COCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000179474462 189197014 /nfs/dbraw/zinc/19/70/14/189197014.db2.gz MCLQHGSRIQOLDW-QAPCUYQASA-N 2 2 299.418 3.113 20 0 CGADLP COCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000179474462 189197015 /nfs/dbraw/zinc/19/70/15/189197015.db2.gz MCLQHGSRIQOLDW-QAPCUYQASA-N 2 2 299.418 3.113 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(F)c1F ZINC000342197239 216256393 /nfs/dbraw/zinc/25/63/93/216256393.db2.gz TWGVHRMXURJQJZ-QWHCGFSZSA-N 2 2 282.378 3.490 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(F)c1F ZINC000342197239 216256395 /nfs/dbraw/zinc/25/63/95/216256395.db2.gz TWGVHRMXURJQJZ-QWHCGFSZSA-N 2 2 282.378 3.490 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC000181100406 189288288 /nfs/dbraw/zinc/28/82/88/189288288.db2.gz VLQVSGCYIUNETG-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC000181100406 189288289 /nfs/dbraw/zinc/28/82/89/189288289.db2.gz VLQVSGCYIUNETG-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)CCCn1cc[nH+]c1 ZINC000301724061 201162769 /nfs/dbraw/zinc/16/27/69/201162769.db2.gz OPGOIXSFWYCBTL-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP c1cn(-c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)c[nH+]1 ZINC000301852172 201232317 /nfs/dbraw/zinc/23/23/17/201232317.db2.gz BMLWLJWNGRFJJH-UHFFFAOYSA-N 2 2 289.342 3.361 20 0 CGADLP CCc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nc(C)[nH+]1 ZINC000302032232 201308558 /nfs/dbraw/zinc/30/85/58/201308558.db2.gz CMNJHXXNNOZKKJ-UHFFFAOYSA-N 2 2 295.390 3.268 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449059938 239149130 /nfs/dbraw/zinc/14/91/30/239149130.db2.gz RHAFWUSYOXOFKX-MRXNPFEDSA-N 2 2 297.402 3.064 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000449369303 239354142 /nfs/dbraw/zinc/35/41/42/239354142.db2.gz BTIPYHGTQWZWIW-DFULUXCASA-N 2 2 276.399 3.130 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000449369303 239354146 /nfs/dbraw/zinc/35/41/46/239354146.db2.gz BTIPYHGTQWZWIW-DFULUXCASA-N 2 2 276.399 3.130 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000449373421 239359229 /nfs/dbraw/zinc/35/92/29/239359229.db2.gz RGZPGOOJUYZSAY-NFAWXSAZSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1F ZINC000449373421 239359238 /nfs/dbraw/zinc/35/92/38/239359238.db2.gz RGZPGOOJUYZSAY-NFAWXSAZSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)[nH+]1 ZINC000450815169 240098884 /nfs/dbraw/zinc/09/88/84/240098884.db2.gz XETOYUKSUUGDDV-INIZCTEOSA-N 2 2 295.430 3.348 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)[nH+]1 ZINC000450815169 240098887 /nfs/dbraw/zinc/09/88/87/240098887.db2.gz XETOYUKSUUGDDV-INIZCTEOSA-N 2 2 295.430 3.348 20 0 CGADLP C[C@]1(F)CCC[NH+](CCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451115215 240222038 /nfs/dbraw/zinc/22/20/38/240222038.db2.gz NQBKBGDWUNSMNL-GJZGRUSLSA-N 2 2 274.399 3.025 20 0 CGADLP C[C@]1(F)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451115215 240222043 /nfs/dbraw/zinc/22/20/43/240222043.db2.gz NQBKBGDWUNSMNL-GJZGRUSLSA-N 2 2 274.399 3.025 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000451350555 240280643 /nfs/dbraw/zinc/28/06/43/240280643.db2.gz DFVVQZJBDIJAAW-OAHLLOKOSA-N 2 2 293.773 3.417 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000120887585 370810577 /nfs/dbraw/zinc/81/05/77/370810577.db2.gz VJSBCUSPLVYWRH-LXZKKBNFSA-N 2 2 258.409 3.353 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000120887585 370810579 /nfs/dbraw/zinc/81/05/79/370810579.db2.gz VJSBCUSPLVYWRH-LXZKKBNFSA-N 2 2 258.409 3.353 20 0 CGADLP CCc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000120928703 370813612 /nfs/dbraw/zinc/81/36/12/370813612.db2.gz RHQBXPUUIJTXHW-UHFFFAOYSA-N 2 2 295.430 3.403 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459655934 242165764 /nfs/dbraw/zinc/16/57/64/242165764.db2.gz GTAVPTRMFFSIIF-STQMWFEESA-N 2 2 291.826 3.398 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000462811978 242364660 /nfs/dbraw/zinc/36/46/60/242364660.db2.gz GXHSDVNUKSSJJD-WMLDXEAASA-N 2 2 270.420 3.087 20 0 CGADLP C=Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000462811978 242364664 /nfs/dbraw/zinc/36/46/64/242364664.db2.gz GXHSDVNUKSSJJD-WMLDXEAASA-N 2 2 270.420 3.087 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000481108026 243178529 /nfs/dbraw/zinc/17/85/29/243178529.db2.gz BAIGLLREEANAGJ-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP Cc1cccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000481108026 243178534 /nfs/dbraw/zinc/17/85/34/243178534.db2.gz BAIGLLREEANAGJ-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1Br ZINC000261540904 299388447 /nfs/dbraw/zinc/38/84/47/299388447.db2.gz ANUVRMJRTPFNKE-UHIISALHSA-N 2 2 297.240 3.098 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000482570593 243234470 /nfs/dbraw/zinc/23/44/70/243234470.db2.gz YYBDOECWBOXPIX-KDOFPFPSSA-N 2 2 292.442 3.465 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000482570593 243234472 /nfs/dbraw/zinc/23/44/72/243234472.db2.gz YYBDOECWBOXPIX-KDOFPFPSSA-N 2 2 292.442 3.465 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000337287255 376193469 /nfs/dbraw/zinc/19/34/69/376193469.db2.gz KZKUQAYSSDPAGP-DGCLKSJQSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000337287255 376193476 /nfs/dbraw/zinc/19/34/76/376193476.db2.gz KZKUQAYSSDPAGP-DGCLKSJQSA-N 2 2 272.383 3.027 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000123699823 370914745 /nfs/dbraw/zinc/91/47/45/370914745.db2.gz JTKXYCYAOCCGQK-SMDDNHRTSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000123699823 370914749 /nfs/dbraw/zinc/91/47/49/370914749.db2.gz JTKXYCYAOCCGQK-SMDDNHRTSA-N 2 2 270.367 3.331 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000019960477 368790418 /nfs/dbraw/zinc/79/04/18/368790418.db2.gz GKOISIKLSADACR-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC)cc1 ZINC000019960477 368790424 /nfs/dbraw/zinc/79/04/24/368790424.db2.gz GKOISIKLSADACR-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c[nH+]1 ZINC000034990850 368986859 /nfs/dbraw/zinc/98/68/59/368986859.db2.gz SHVLMPFEZYJAHD-UHFFFAOYSA-N 2 2 277.371 3.205 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000037141082 369068228 /nfs/dbraw/zinc/06/82/28/369068228.db2.gz XUSNCEIGVNFPRM-LBPRGKRZSA-N 2 2 262.397 3.174 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C)cc1 ZINC000037158074 369072488 /nfs/dbraw/zinc/07/24/88/369072488.db2.gz COVQUIOXKYMGPK-ZBFHGGJFSA-N 2 2 257.381 3.321 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000037157020 369072631 /nfs/dbraw/zinc/07/26/31/369072631.db2.gz RUADLKMPJFXGNZ-ZIAGYGMSSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037157400 369072709 /nfs/dbraw/zinc/07/27/09/369072709.db2.gz NGGUFIYPOMMRJU-NEPJUHHUSA-N 2 2 263.772 3.276 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccccn1 ZINC000037901095 369123191 /nfs/dbraw/zinc/12/31/91/369123191.db2.gz GJMLEFNSWZASPX-HNNXBMFYSA-N 2 2 275.440 3.387 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccn1 ZINC000037901095 369123198 /nfs/dbraw/zinc/12/31/98/369123198.db2.gz GJMLEFNSWZASPX-HNNXBMFYSA-N 2 2 275.440 3.387 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000041119609 369174287 /nfs/dbraw/zinc/17/42/87/369174287.db2.gz GUHRDXHCJMDQTD-HNNXBMFYSA-N 2 2 271.408 3.229 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000041119665 369176211 /nfs/dbraw/zinc/17/62/11/369176211.db2.gz WFUOWHCBLAYVMO-SNVBAGLBSA-N 2 2 267.735 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632014 244306694 /nfs/dbraw/zinc/30/66/94/244306694.db2.gz KYYGFBWJTAFIHD-RVKKMQEKSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000494632014 244306698 /nfs/dbraw/zinc/30/66/98/244306698.db2.gz KYYGFBWJTAFIHD-RVKKMQEKSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000494879573 244325907 /nfs/dbraw/zinc/32/59/07/244325907.db2.gz PYICAPORUYKTBC-ABFRBSLYSA-N 2 2 260.425 3.232 20 0 CGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000494999540 244346187 /nfs/dbraw/zinc/34/61/87/244346187.db2.gz RQGAIEUFQSPPSW-INIZCTEOSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000494999540 244346190 /nfs/dbraw/zinc/34/61/90/244346190.db2.gz RQGAIEUFQSPPSW-INIZCTEOSA-N 2 2 299.418 3.285 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000495107682 244357621 /nfs/dbraw/zinc/35/76/21/244357621.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495107682 244357625 /nfs/dbraw/zinc/35/76/25/244357625.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495107682 244357627 /nfs/dbraw/zinc/35/76/27/244357627.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 2 292.854 3.483 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495107682 244357630 /nfs/dbraw/zinc/35/76/30/244357630.db2.gz JWOUKBFDDUKPSG-RHSMWYFYSA-N 2 2 292.854 3.483 20 0 CGADLP CC[NH+](CC)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050805176 369442870 /nfs/dbraw/zinc/44/28/70/369442870.db2.gz ZZHMNEIZEDAKCG-UHFFFAOYSA-N 2 2 299.374 3.154 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000276513426 193362943 /nfs/dbraw/zinc/36/29/43/193362943.db2.gz ZVLFJDZLIOPETM-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000276513426 193362944 /nfs/dbraw/zinc/36/29/44/193362944.db2.gz ZVLFJDZLIOPETM-OAHLLOKOSA-N 2 2 269.392 3.411 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344250 296149351 /nfs/dbraw/zinc/14/93/51/296149351.db2.gz JVMUQVUQWVMFFS-UHIISALHSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423024020 296156037 /nfs/dbraw/zinc/15/60/37/296156037.db2.gz IKGWJXVNUHWYSH-BYCMXARLSA-N 2 2 294.826 3.284 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000097928039 370257858 /nfs/dbraw/zinc/25/78/58/370257858.db2.gz ZEKSDPYTHASDQH-OAHLLOKOSA-N 2 2 290.451 3.090 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000112983834 370459307 /nfs/dbraw/zinc/45/93/07/370459307.db2.gz WZGKLVLPMFTYKR-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000112983834 370459311 /nfs/dbraw/zinc/45/93/11/370459311.db2.gz WZGKLVLPMFTYKR-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000513008839 245059107 /nfs/dbraw/zinc/05/91/07/245059107.db2.gz LDCXIQRVWNNXHN-IVOILVROSA-N 2 2 278.827 3.427 20 0 CGADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000513008839 245059110 /nfs/dbraw/zinc/05/91/10/245059110.db2.gz LDCXIQRVWNNXHN-IVOILVROSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccsc2S1 ZINC000130225188 371018543 /nfs/dbraw/zinc/01/85/43/371018543.db2.gz PNDIOSYBRYMGIU-WCQYABFASA-N 2 2 282.478 3.359 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130543815 371041245 /nfs/dbraw/zinc/04/12/45/371041245.db2.gz SYBSOHOGPHRWMG-ZBFHGGJFSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130543815 371041247 /nfs/dbraw/zinc/04/12/47/371041247.db2.gz SYBSOHOGPHRWMG-ZBFHGGJFSA-N 2 2 258.409 3.191 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130792875 371060568 /nfs/dbraw/zinc/06/05/68/371060568.db2.gz GQKVXPRDQYQKNB-RDJZCZTQSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130792875 371060575 /nfs/dbraw/zinc/06/05/75/371060575.db2.gz GQKVXPRDQYQKNB-RDJZCZTQSA-N 2 2 290.451 3.294 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423024021 299420277 /nfs/dbraw/zinc/42/02/77/299420277.db2.gz IKGWJXVNUHWYSH-CQDKDKBSSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000132634418 371189901 /nfs/dbraw/zinc/18/99/01/371189901.db2.gz QQVSZOLEFXFRRN-KCQAQPDRSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1F ZINC000132634418 371189907 /nfs/dbraw/zinc/18/99/07/371189907.db2.gz QQVSZOLEFXFRRN-KCQAQPDRSA-N 2 2 276.399 3.410 20 0 CGADLP COc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000132509128 371180223 /nfs/dbraw/zinc/18/02/23/371180223.db2.gz SADFJHMDYRAHLF-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000132509128 371180228 /nfs/dbraw/zinc/18/02/28/371180228.db2.gz SADFJHMDYRAHLF-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000132509128 371180232 /nfs/dbraw/zinc/18/02/32/371180232.db2.gz SADFJHMDYRAHLF-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP COc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000132509128 371180235 /nfs/dbraw/zinc/18/02/35/371180235.db2.gz SADFJHMDYRAHLF-MRXNPFEDSA-N 2 2 276.424 3.001 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000133983458 371294685 /nfs/dbraw/zinc/29/46/85/371294685.db2.gz SLAXRWCDIHTSPF-NVXWUHKLSA-N 2 2 296.418 3.349 20 0 CGADLP CSC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135384747 371420900 /nfs/dbraw/zinc/42/09/00/371420900.db2.gz QQOOGABFTQHUJJ-UHFFFAOYSA-N 2 2 275.421 3.104 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000136196644 371466643 /nfs/dbraw/zinc/46/66/43/371466643.db2.gz CMDJZQLYFCJBDG-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000136196644 371466647 /nfs/dbraw/zinc/46/66/47/371466647.db2.gz CMDJZQLYFCJBDG-ZDUSSCGKSA-N 2 2 266.816 3.032 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000151129099 371574489 /nfs/dbraw/zinc/57/44/89/371574489.db2.gz DABCCYNPWVWASB-CQSZACIVSA-N 2 2 273.380 3.023 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccncc1Cl ZINC000421853968 371677296 /nfs/dbraw/zinc/67/72/96/371677296.db2.gz KPNVVJBMNYBGAE-HSBZDZAISA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccncc1 ZINC000287354142 371644025 /nfs/dbraw/zinc/64/40/25/371644025.db2.gz NRHOPNYCNSORMD-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccncc1 ZINC000287354142 371644027 /nfs/dbraw/zinc/64/40/27/371644027.db2.gz NRHOPNYCNSORMD-BXWFABGCSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1([NH+](C)C)CC1 ZINC000421860231 371682888 /nfs/dbraw/zinc/68/28/88/371682888.db2.gz TUFYMWMOVADFHD-LLVKDONJSA-N 2 2 284.806 3.094 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC=C(Br)C1 ZINC000289580066 371765887 /nfs/dbraw/zinc/76/58/87/371765887.db2.gz HXYWGFFUTBRJRT-UHFFFAOYSA-N 2 2 295.224 3.307 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC=C(Br)C1 ZINC000289580066 371765893 /nfs/dbraw/zinc/76/58/93/371765893.db2.gz HXYWGFFUTBRJRT-UHFFFAOYSA-N 2 2 295.224 3.307 20 0 CGADLP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422718674 371766273 /nfs/dbraw/zinc/76/62/73/371766273.db2.gz XGHCUEQXTPXOAF-YUTCNCBUSA-N 2 2 286.341 3.410 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000422746917 371781439 /nfs/dbraw/zinc/78/14/39/371781439.db2.gz XNCZYHQVNUTLTM-YVEFUNNKSA-N 2 2 285.435 3.181 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814811 371827272 /nfs/dbraw/zinc/82/72/72/371827272.db2.gz AGNLVZQJGMQULQ-FMKPAKJESA-N 2 2 294.414 3.103 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC(C)C)c1 ZINC000422874956 371848286 /nfs/dbraw/zinc/84/82/86/371848286.db2.gz OHGLUSRJAUAPFH-CQSZACIVSA-N 2 2 299.418 3.441 20 0 CGADLP CC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000289963818 371862632 /nfs/dbraw/zinc/86/26/32/371862632.db2.gz ITSOZRPNTSDYIN-APWZRJJASA-N 2 2 297.446 3.478 20 0 CGADLP CC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000289963818 371862634 /nfs/dbraw/zinc/86/26/34/371862634.db2.gz ITSOZRPNTSDYIN-APWZRJJASA-N 2 2 297.446 3.478 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC000154742634 371875393 /nfs/dbraw/zinc/87/53/93/371875393.db2.gz DWORZFPJQSRCGP-NKPGBKMFSA-N 2 2 270.848 3.183 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC000154742634 371875398 /nfs/dbraw/zinc/87/53/98/371875398.db2.gz DWORZFPJQSRCGP-NKPGBKMFSA-N 2 2 270.848 3.183 20 0 CGADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422938107 371881087 /nfs/dbraw/zinc/88/10/87/371881087.db2.gz PJLFPZYEXQCYRZ-HZPDHXFCSA-N 2 2 276.424 3.081 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000344083173 217042497 /nfs/dbraw/zinc/04/24/97/217042497.db2.gz ZYVNLFSFXATBEV-NNXHMXCWSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000344083173 217042499 /nfs/dbraw/zinc/04/24/99/217042499.db2.gz ZYVNLFSFXATBEV-NNXHMXCWSA-N 2 2 294.483 3.043 20 0 CGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422859407 371842488 /nfs/dbraw/zinc/84/24/88/371842488.db2.gz KBKUXDNDTGGFFY-GDBMZVCRSA-N 2 2 276.424 3.124 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000423061766 371941915 /nfs/dbraw/zinc/94/19/15/371941915.db2.gz LMICKUOCDUWKND-KGLIPLIRSA-N 2 2 270.779 3.229 20 0 CGADLP c1ccc(CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422951341 371888696 /nfs/dbraw/zinc/88/86/96/371888696.db2.gz YDWGVAMDNRJECX-RTBURBONSA-N 2 2 280.415 3.312 20 0 CGADLP c1coc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)c1 ZINC000422963082 371893835 /nfs/dbraw/zinc/89/38/35/371893835.db2.gz HKDVWRJELYQPMM-IXEWLPCDSA-N 2 2 282.387 3.242 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCC[NH2+]1 ZINC000422977504 371899791 /nfs/dbraw/zinc/89/97/91/371899791.db2.gz WYFWCELXQYVHGR-XJKSGUPXSA-N 2 2 270.376 3.177 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000422979489 371899803 /nfs/dbraw/zinc/89/98/03/371899803.db2.gz MXDIDEBPFYGREO-DLBZAZTESA-N 2 2 297.402 3.105 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290235773 371943869 /nfs/dbraw/zinc/94/38/69/371943869.db2.gz GHEGOOXUGIJJBO-CYBMUJFWSA-N 2 2 287.407 3.321 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156086043 371960334 /nfs/dbraw/zinc/96/03/34/371960334.db2.gz KWLBIFDDLGNLOF-SMDDNHRTSA-N 2 2 268.351 3.326 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156086043 371960344 /nfs/dbraw/zinc/96/03/44/371960344.db2.gz KWLBIFDDLGNLOF-SMDDNHRTSA-N 2 2 268.351 3.326 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423109656 371973284 /nfs/dbraw/zinc/97/32/84/371973284.db2.gz SUYYXSJWBLSIJT-UONOGXRCSA-N 2 2 282.428 3.297 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccco2)cc1 ZINC000423171337 372002319 /nfs/dbraw/zinc/00/23/19/372002319.db2.gz ZVFNEVZJCNHSKO-XNJGSVPQSA-N 2 2 288.391 3.093 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000290420018 371986135 /nfs/dbraw/zinc/98/61/35/371986135.db2.gz KQTOLEXXUMRZJO-DUXPYHPUSA-N 2 2 273.355 3.058 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)cc1)CCCn1cc[nH+]c1 ZINC000290420018 371986141 /nfs/dbraw/zinc/98/61/41/371986141.db2.gz KQTOLEXXUMRZJO-DUXPYHPUSA-N 2 2 273.355 3.058 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000423139401 371986216 /nfs/dbraw/zinc/98/62/16/371986216.db2.gz ZTBFFJKLWZRIKV-CABCVRRESA-N 2 2 285.391 3.170 20 0 CGADLP CC/C=C\C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423165458 371998440 /nfs/dbraw/zinc/99/84/40/371998440.db2.gz XYRHZPOAZDJPLX-PPPANMTLSA-N 2 2 274.408 3.044 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037320327 541864369 /nfs/dbraw/zinc/86/43/69/541864369.db2.gz YFZSGCCUNPDCEA-RISCZKNCSA-N 2 2 291.395 3.237 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)co2)cc1 ZINC000155965045 371954704 /nfs/dbraw/zinc/95/47/04/371954704.db2.gz IUNWHDAQUDIPNA-WMLDXEAASA-N 2 2 299.418 3.080 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)co2)cc1 ZINC000155965045 371954706 /nfs/dbraw/zinc/95/47/06/371954706.db2.gz IUNWHDAQUDIPNA-WMLDXEAASA-N 2 2 299.418 3.080 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2cc(Cl)ccc2o1 ZINC000423196209 372022016 /nfs/dbraw/zinc/02/20/16/372022016.db2.gz UVVSTSZHWVCZFD-GWCFXTLKSA-N 2 2 278.783 3.489 20 0 CGADLP CCOc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157503920 372024124 /nfs/dbraw/zinc/02/41/24/372024124.db2.gz IQRVEVWUUUGCQT-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157503920 372024131 /nfs/dbraw/zinc/02/41/31/372024131.db2.gz IQRVEVWUUUGCQT-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423199823 372025218 /nfs/dbraw/zinc/02/52/18/372025218.db2.gz KSTGXLHNCLUNEF-AWEZNQCLSA-N 2 2 261.413 3.092 20 0 CGADLP C[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423205913 372028102 /nfs/dbraw/zinc/02/81/02/372028102.db2.gz WCYTZMOWUQBROV-GFCCVEGCSA-N 2 2 275.421 3.070 20 0 CGADLP c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423209193 372032701 /nfs/dbraw/zinc/03/27/01/372032701.db2.gz UWKVLERVGVUSQT-BXUZGUMPSA-N 2 2 272.417 3.230 20 0 CGADLP c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423209195 372032771 /nfs/dbraw/zinc/03/27/71/372032771.db2.gz UWKVLERVGVUSQT-RISCZKNCSA-N 2 2 272.417 3.230 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccsc2S1 ZINC000423232556 372042158 /nfs/dbraw/zinc/04/21/58/372042158.db2.gz IMQIEOWNUXEPBJ-NHCYSSNCSA-N 2 2 268.451 3.015 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423323100 372051764 /nfs/dbraw/zinc/05/17/64/372051764.db2.gz JNYJCQCBYNTART-GHMZBOCLSA-N 2 2 275.421 3.116 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423363654 372055763 /nfs/dbraw/zinc/05/57/63/372055763.db2.gz ARZAHUKHZRDTHG-VRKREXBASA-N 2 2 258.409 3.273 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000423373066 372056002 /nfs/dbraw/zinc/05/60/02/372056002.db2.gz HBDWLNIDMDXAOQ-DOMZBBRYSA-N 2 2 296.842 3.450 20 0 CGADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423174212 372004127 /nfs/dbraw/zinc/00/41/27/372004127.db2.gz BQDSMNZLSQPVHG-OAHLLOKOSA-N 2 2 284.403 3.183 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507863 372070450 /nfs/dbraw/zinc/07/04/50/372070450.db2.gz IQIYCKGDNGLAHD-YESZJQIVSA-N 2 2 298.455 3.471 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536306 372072582 /nfs/dbraw/zinc/07/25/82/372072582.db2.gz ZLSNXUKKEJYOFX-YESZJQIVSA-N 2 2 282.387 3.002 20 0 CGADLP CCOC1(C)CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000292867100 372231250 /nfs/dbraw/zinc/23/12/50/372231250.db2.gz VYYMDRTVYYFXMZ-UHFFFAOYSA-N 2 2 276.424 3.214 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161511550 372330570 /nfs/dbraw/zinc/33/05/70/372330570.db2.gz KUBRRTUYHVDOHJ-LLVKDONJSA-N 2 2 282.815 3.093 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161511435 372331604 /nfs/dbraw/zinc/33/16/04/372331604.db2.gz KUBRRTUYHVDOHJ-NSHDSACASA-N 2 2 282.815 3.093 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cscn2)CC1 ZINC000162395423 372393021 /nfs/dbraw/zinc/39/30/21/372393021.db2.gz RARJGERYGVEEEC-LBPRGKRZSA-N 2 2 267.442 3.058 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000162774250 372420476 /nfs/dbraw/zinc/42/04/76/372420476.db2.gz ILIOHYFAVMXCGS-LALPHHSUSA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000162774250 372420482 /nfs/dbraw/zinc/42/04/82/372420482.db2.gz ILIOHYFAVMXCGS-LALPHHSUSA-N 2 2 296.842 3.167 20 0 CGADLP CC[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000163034376 372442708 /nfs/dbraw/zinc/44/27/08/372442708.db2.gz UZTXCDGHUJASQY-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP C[C@H]([NH2+]C1CC(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163388131 372464993 /nfs/dbraw/zinc/46/49/93/372464993.db2.gz BDJIHSATAPCUNP-OWYJLGKBSA-N 2 2 255.365 3.321 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000163376781 372465543 /nfs/dbraw/zinc/46/55/43/372465543.db2.gz FYXBAZCGSAQRAD-CJNGLKHVSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000163376781 372465547 /nfs/dbraw/zinc/46/55/47/372465547.db2.gz FYXBAZCGSAQRAD-CJNGLKHVSA-N 2 2 296.842 3.101 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cn1 ZINC000163854846 372494673 /nfs/dbraw/zinc/49/46/73/372494673.db2.gz XONAAQNJJVMSMY-CQSZACIVSA-N 2 2 287.411 3.012 20 0 CGADLP CC(C)(CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000164440308 372517124 /nfs/dbraw/zinc/51/71/24/372517124.db2.gz CRSYHWBNJMBYJJ-UHFFFAOYSA-N 2 2 271.408 3.274 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000164439455 372517323 /nfs/dbraw/zinc/51/73/23/372517323.db2.gz QGVXHFGNCCYGLZ-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000164439455 372517330 /nfs/dbraw/zinc/51/73/30/372517330.db2.gz QGVXHFGNCCYGLZ-GDBMZVCRSA-N 2 2 297.446 3.234 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000294072429 372572853 /nfs/dbraw/zinc/57/28/53/372572853.db2.gz KSPZDUYSHPZQJK-UHFFFAOYSA-N 2 2 296.842 3.256 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000168752354 372619392 /nfs/dbraw/zinc/61/93/92/372619392.db2.gz JGNMKZOLOUGBMG-ODIFPOPNSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cs1 ZINC000294991891 372683838 /nfs/dbraw/zinc/68/38/38/372683838.db2.gz YFFIOEZCHGLERF-UHFFFAOYSA-N 2 2 252.427 3.019 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229213 372740343 /nfs/dbraw/zinc/74/03/43/372740343.db2.gz FOFIARNYRUVWNM-QGZVFWFLSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229213 372740348 /nfs/dbraw/zinc/74/03/48/372740348.db2.gz FOFIARNYRUVWNM-QGZVFWFLSA-N 2 2 266.388 3.166 20 0 CGADLP CC[N@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435628304 372786082 /nfs/dbraw/zinc/78/60/82/372786082.db2.gz QESOFJIHAVCDAU-INIZCTEOSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435628304 372786091 /nfs/dbraw/zinc/78/60/91/372786091.db2.gz QESOFJIHAVCDAU-INIZCTEOSA-N 2 2 299.418 3.306 20 0 CGADLP COc1ccc2c(c1)[nH+]ccc2OCC[NH+]1CCCCC1 ZINC000435786039 372808945 /nfs/dbraw/zinc/80/89/45/372808945.db2.gz RFDDKTXNRMHIFJ-UHFFFAOYSA-N 2 2 286.375 3.108 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]CCCCCOc1ccccc1 ZINC000438087713 372873920 /nfs/dbraw/zinc/87/39/20/372873920.db2.gz YKTXINWDCMQRET-UHFFFAOYSA-N 2 2 278.440 3.166 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000353458884 220096955 /nfs/dbraw/zinc/09/69/55/220096955.db2.gz LVKLEHILPFQFOB-UHFFFAOYSA-N 2 2 287.382 3.491 20 0 CGADLP CCCc1[nH+]ccn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000438318100 372924078 /nfs/dbraw/zinc/92/40/78/372924078.db2.gz KOZCGOJDEHILMV-UHFFFAOYSA-N 2 2 280.375 3.129 20 0 CGADLP c1ccc(OCCCCC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438185295 372905612 /nfs/dbraw/zinc/90/56/12/372905612.db2.gz DBQPXNHAFCGXAL-INIZCTEOSA-N 2 2 288.435 3.062 20 0 CGADLP c1ccc(OCCCCC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000438185295 372905620 /nfs/dbraw/zinc/90/56/20/372905620.db2.gz DBQPXNHAFCGXAL-INIZCTEOSA-N 2 2 288.435 3.062 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212244 372914146 /nfs/dbraw/zinc/91/41/46/372914146.db2.gz HFCDMVZYMUZSJG-HOCLYGCPSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212244 372914153 /nfs/dbraw/zinc/91/41/53/372914153.db2.gz HFCDMVZYMUZSJG-HOCLYGCPSA-N 2 2 290.426 3.363 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000295971253 372979404 /nfs/dbraw/zinc/97/94/04/372979404.db2.gz NXYZUCQYCQKYHI-RLAWYHOSSA-N 2 2 262.397 3.118 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000295971253 372979408 /nfs/dbraw/zinc/97/94/08/372979408.db2.gz NXYZUCQYCQKYHI-RLAWYHOSSA-N 2 2 262.397 3.118 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)s1 ZINC000062077312 541886067 /nfs/dbraw/zinc/88/60/67/541886067.db2.gz YVJJNSREGVWCTG-VXGBXAGGSA-N 2 2 281.469 3.142 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000442775913 373076896 /nfs/dbraw/zinc/07/68/96/373076896.db2.gz GTQGIUNFAIYURN-AWEZNQCLSA-N 2 2 293.370 3.429 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201185 373151692 /nfs/dbraw/zinc/15/16/92/373151692.db2.gz VEJYTPZCMGOVAW-UXLLHSPISA-N 2 2 278.440 3.001 20 0 CGADLP Clc1cnccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781718 373191036 /nfs/dbraw/zinc/19/10/36/373191036.db2.gz WMYHGTRDLQWXED-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cnccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781718 373191042 /nfs/dbraw/zinc/19/10/42/373191042.db2.gz WMYHGTRDLQWXED-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP CCC1([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000448552521 373587709 /nfs/dbraw/zinc/58/77/09/373587709.db2.gz DONRFDGKWSNTLC-HOCLYGCPSA-N 2 2 258.409 3.182 20 0 CGADLP CCC1([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000448552521 373587717 /nfs/dbraw/zinc/58/77/17/373587717.db2.gz DONRFDGKWSNTLC-HOCLYGCPSA-N 2 2 258.409 3.182 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000448031387 373540973 /nfs/dbraw/zinc/54/09/73/373540973.db2.gz UPJAFGMQOIPXHS-ZIAGYGMSSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000448031387 373540976 /nfs/dbraw/zinc/54/09/76/373540976.db2.gz UPJAFGMQOIPXHS-ZIAGYGMSSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449438717 373716052 /nfs/dbraw/zinc/71/60/52/373716052.db2.gz CWNIBSZXLRFIKF-JKIFEVAISA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000449438717 373716057 /nfs/dbraw/zinc/71/60/57/373716057.db2.gz CWNIBSZXLRFIKF-JKIFEVAISA-N 2 2 258.409 3.210 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(Cl)c1 ZINC000177320829 373674570 /nfs/dbraw/zinc/67/45/70/373674570.db2.gz MTTPMQHRAZGYTQ-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(Cl)c1 ZINC000177320829 373674581 /nfs/dbraw/zinc/67/45/81/373674581.db2.gz MTTPMQHRAZGYTQ-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC000177320829 373674589 /nfs/dbraw/zinc/67/45/89/373674589.db2.gz MTTPMQHRAZGYTQ-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC000177320829 373674597 /nfs/dbraw/zinc/67/45/97/373674597.db2.gz MTTPMQHRAZGYTQ-CVEARBPZSA-N 2 2 278.827 3.399 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)c[nH+]1 ZINC000177535186 373691532 /nfs/dbraw/zinc/69/15/32/373691532.db2.gz DDZAHMLUVIWSMG-CALCHBBNSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)c[nH+]1 ZINC000177535186 373691539 /nfs/dbraw/zinc/69/15/39/373691539.db2.gz DDZAHMLUVIWSMG-CALCHBBNSA-N 2 2 281.403 3.494 20 0 CGADLP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000301231675 373700159 /nfs/dbraw/zinc/70/01/59/373700159.db2.gz IAEPZOFPPLFZCS-UHFFFAOYSA-N 2 2 284.407 3.237 20 0 CGADLP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)nc[nH+]1 ZINC000301231675 373700169 /nfs/dbraw/zinc/70/01/69/373700169.db2.gz IAEPZOFPPLFZCS-UHFFFAOYSA-N 2 2 284.407 3.237 20 0 CGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000301241749 373706222 /nfs/dbraw/zinc/70/62/22/373706222.db2.gz MPMOQZMMOHFDBQ-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449472253 373757087 /nfs/dbraw/zinc/75/70/87/373757087.db2.gz FLERBGVSIJFMHI-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)OC ZINC000449472253 373757094 /nfs/dbraw/zinc/75/70/94/373757094.db2.gz FLERBGVSIJFMHI-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000178312219 373764491 /nfs/dbraw/zinc/76/44/91/373764491.db2.gz WZXYWJJOKVPASN-INIZCTEOSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000301654583 373795749 /nfs/dbraw/zinc/79/57/49/373795749.db2.gz URWLQRNMWRMWIR-HNNXBMFYSA-N 2 2 273.355 3.244 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000178607036 373797873 /nfs/dbraw/zinc/79/78/73/373797873.db2.gz GRSPNNZEEZZXEY-SNRMKQJTSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000178607036 373797878 /nfs/dbraw/zinc/79/78/78/373797878.db2.gz GRSPNNZEEZZXEY-SNRMKQJTSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@@H+]1C ZINC000178607026 373798396 /nfs/dbraw/zinc/79/83/96/373798396.db2.gz GRSPNNZEEZZXEY-MNEFBYGVSA-N 2 2 295.430 3.243 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC[N@H+]1C ZINC000178607026 373798397 /nfs/dbraw/zinc/79/83/97/373798397.db2.gz GRSPNNZEEZZXEY-MNEFBYGVSA-N 2 2 295.430 3.243 20 0 CGADLP C[N@H+](CCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179666843 373903288 /nfs/dbraw/zinc/90/32/88/373903288.db2.gz RAACWTQVQJDIIC-UHFFFAOYSA-N 2 2 265.360 3.009 20 0 CGADLP C[N@@H+](CCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000179666843 373903292 /nfs/dbraw/zinc/90/32/92/373903292.db2.gz RAACWTQVQJDIIC-UHFFFAOYSA-N 2 2 265.360 3.009 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179994737 373952924 /nfs/dbraw/zinc/95/29/24/373952924.db2.gz CEQBEIGOYUXNRZ-CQSZACIVSA-N 2 2 294.389 3.418 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179994737 373952926 /nfs/dbraw/zinc/95/29/26/373952926.db2.gz CEQBEIGOYUXNRZ-CQSZACIVSA-N 2 2 294.389 3.418 20 0 CGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCCCO1 ZINC000180068503 373960886 /nfs/dbraw/zinc/96/08/86/373960886.db2.gz QIENIAMDPROTNR-INIZCTEOSA-N 2 2 287.407 3.115 20 0 CGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCCCO1 ZINC000180068503 373960893 /nfs/dbraw/zinc/96/08/93/373960893.db2.gz QIENIAMDPROTNR-INIZCTEOSA-N 2 2 287.407 3.115 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[N@H+](C)C3)c(C)c[nH+]c12 ZINC000302616248 373907490 /nfs/dbraw/zinc/90/74/90/373907490.db2.gz FZZZKVZOIKAKIT-AWEZNQCLSA-N 2 2 299.418 3.306 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[N@@H+](C)C3)c(C)c[nH+]c12 ZINC000302616248 373907497 /nfs/dbraw/zinc/90/74/97/373907497.db2.gz FZZZKVZOIKAKIT-AWEZNQCLSA-N 2 2 299.418 3.306 20 0 CGADLP COc1cccc2c(NCC[N@H+](C)C(C)C)c(C)c[nH+]c12 ZINC000302687448 373928396 /nfs/dbraw/zinc/92/83/96/373928396.db2.gz YMYFNEPLOOPPCU-UHFFFAOYSA-N 2 2 287.407 3.304 20 0 CGADLP COc1cccc2c(NCC[N@@H+](C)C(C)C)c(C)c[nH+]c12 ZINC000302687448 373928398 /nfs/dbraw/zinc/92/83/98/373928398.db2.gz YMYFNEPLOOPPCU-UHFFFAOYSA-N 2 2 287.407 3.304 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450211729 374000026 /nfs/dbraw/zinc/00/00/26/374000026.db2.gz QHMBJUXIUUDJEF-UHFFFAOYSA-N 2 2 297.406 3.111 20 0 CGADLP CCS[C@@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180221325 373978163 /nfs/dbraw/zinc/97/81/63/373978163.db2.gz UKXHJOLOQIZHHD-OAHLLOKOSA-N 2 2 289.448 3.442 20 0 CGADLP CCS[C@@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180221325 373978169 /nfs/dbraw/zinc/97/81/69/373978169.db2.gz UKXHJOLOQIZHHD-OAHLLOKOSA-N 2 2 289.448 3.442 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180261422 373985395 /nfs/dbraw/zinc/98/53/95/373985395.db2.gz RXTDWXSWKOEHIQ-YJBOKZPZSA-N 2 2 299.418 3.482 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1F ZINC000180737327 374040864 /nfs/dbraw/zinc/04/08/64/374040864.db2.gz DUTSVPRKNANJIO-DCGLDWPTSA-N 2 2 276.399 3.492 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](O)c1ccccc1 ZINC000289491318 197374421 /nfs/dbraw/zinc/37/44/21/197374421.db2.gz RSBHGKFRBNRBLM-SFHVURJKSA-N 2 2 284.403 3.036 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469151 374151241 /nfs/dbraw/zinc/15/12/41/374151241.db2.gz QPTHTBIUAYBJME-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469151 374151248 /nfs/dbraw/zinc/15/12/48/374151248.db2.gz QPTHTBIUAYBJME-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469151 374151254 /nfs/dbraw/zinc/15/12/54/374151254.db2.gz QPTHTBIUAYBJME-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(C)=O)c2)C[C@H]1C ZINC000450469151 374151259 /nfs/dbraw/zinc/15/12/59/374151259.db2.gz QPTHTBIUAYBJME-RDTXWAMCSA-N 2 2 288.435 3.194 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC000450469980 374153547 /nfs/dbraw/zinc/15/35/47/374153547.db2.gz IDUUQAVHKRBZDT-MRXNPFEDSA-N 2 2 259.397 3.156 20 0 CGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000450469980 374153550 /nfs/dbraw/zinc/15/35/50/374153550.db2.gz IDUUQAVHKRBZDT-MRXNPFEDSA-N 2 2 259.397 3.156 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310706933 374221504 /nfs/dbraw/zinc/22/15/04/374221504.db2.gz ZAYGZXKXKOJNLF-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310706933 374221512 /nfs/dbraw/zinc/22/15/12/374221512.db2.gz ZAYGZXKXKOJNLF-OAHLLOKOSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000312023069 374265902 /nfs/dbraw/zinc/26/59/02/374265902.db2.gz VSTKQTPYJZPUHL-UAGQMJEPSA-N 2 2 260.425 3.110 20 0 CGADLP Fc1ccccc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000182234731 374241664 /nfs/dbraw/zinc/24/16/64/374241664.db2.gz RBWOOWCMZAXITN-ZIAGYGMSSA-N 2 2 274.383 3.031 20 0 CGADLP Fc1ccccc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000182234731 374241668 /nfs/dbraw/zinc/24/16/68/374241668.db2.gz RBWOOWCMZAXITN-ZIAGYGMSSA-N 2 2 274.383 3.031 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000182877176 374337508 /nfs/dbraw/zinc/33/75/08/374337508.db2.gz VYHURESYEQCAKW-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000182877176 374337514 /nfs/dbraw/zinc/33/75/14/374337514.db2.gz VYHURESYEQCAKW-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c[nH+]1 ZINC000182909979 374341185 /nfs/dbraw/zinc/34/11/85/374341185.db2.gz SWYSXWPWUBXHJF-KSSFIOAISA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c[nH+]1 ZINC000182909979 374341189 /nfs/dbraw/zinc/34/11/89/374341189.db2.gz SWYSXWPWUBXHJF-KSSFIOAISA-N 2 2 296.418 3.108 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000183023078 374356022 /nfs/dbraw/zinc/35/60/22/374356022.db2.gz JQFFZFZTDVBYBH-UHFFFAOYSA-N 2 2 290.436 3.300 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000328512576 374366071 /nfs/dbraw/zinc/36/60/71/374366071.db2.gz OGYXTFCZEUMRGR-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000328512576 374366075 /nfs/dbraw/zinc/36/60/75/374366075.db2.gz OGYXTFCZEUMRGR-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263166 374379552 /nfs/dbraw/zinc/37/95/52/374379552.db2.gz UCNRGHBIDVOKAP-XJKCOSOUSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263166 374379554 /nfs/dbraw/zinc/37/95/54/374379554.db2.gz UCNRGHBIDVOKAP-XJKCOSOUSA-N 2 2 264.388 3.125 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183180234 374382490 /nfs/dbraw/zinc/38/24/90/374382490.db2.gz OIYGSVRVTIUQKH-IRXDYDNUSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183180234 374382499 /nfs/dbraw/zinc/38/24/99/374382499.db2.gz OIYGSVRVTIUQKH-IRXDYDNUSA-N 2 2 283.419 3.460 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146773 206081738 /nfs/dbraw/zinc/08/17/38/206081738.db2.gz REHRQBYPPLMGKL-HUUCEWRRSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146773 206081743 /nfs/dbraw/zinc/08/17/43/206081743.db2.gz REHRQBYPPLMGKL-HUUCEWRRSA-N 2 2 289.423 3.081 20 0 CGADLP CCOCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167743 541957784 /nfs/dbraw/zinc/95/77/84/541957784.db2.gz FNFGCFUJUWDVAA-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP CCOCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167743 541957787 /nfs/dbraw/zinc/95/77/87/541957787.db2.gz FNFGCFUJUWDVAA-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000184730832 374554909 /nfs/dbraw/zinc/55/49/09/374554909.db2.gz SMQYTKZGWMFMMY-YXOJNZSOSA-N 2 2 295.430 3.388 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000184730832 374554915 /nfs/dbraw/zinc/55/49/15/374554915.db2.gz SMQYTKZGWMFMMY-YXOJNZSOSA-N 2 2 295.430 3.388 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000334380692 374699325 /nfs/dbraw/zinc/69/93/25/374699325.db2.gz ZTOJMZLYWNBKDE-OAHLLOKOSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000334380692 374699330 /nfs/dbraw/zinc/69/93/30/374699330.db2.gz ZTOJMZLYWNBKDE-OAHLLOKOSA-N 2 2 255.365 3.098 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000289486537 197370721 /nfs/dbraw/zinc/37/07/21/197370721.db2.gz CDRWSZJLIJGLNC-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000289486537 197370723 /nfs/dbraw/zinc/37/07/23/197370723.db2.gz CDRWSZJLIJGLNC-UHFFFAOYSA-N 2 2 298.217 3.401 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccncc1 ZINC000186329458 374834044 /nfs/dbraw/zinc/83/40/44/374834044.db2.gz FNNSULSJBRZRJG-RKVPGOIHSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(Cl)ccc1Cl ZINC000335065415 375101759 /nfs/dbraw/zinc/10/17/59/375101759.db2.gz RFRCXYAHLPSGFA-SECBINFHSA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000474818517 375128915 /nfs/dbraw/zinc/12/89/15/375128915.db2.gz MGTWRRJDKSOXCL-IKGGRYGDSA-N 2 2 296.499 3.149 20 0 CGADLP FC1(F)CCC(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000335225177 375242603 /nfs/dbraw/zinc/24/26/03/375242603.db2.gz RIDLZTHFFJCGHU-UHFFFAOYSA-N 2 2 283.366 3.415 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[NH+]1CCC(C)CC1 ZINC000486938658 375198921 /nfs/dbraw/zinc/19/89/21/375198921.db2.gz MYFDPVNPOOSBBV-KFWWJZLASA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000487319264 375228438 /nfs/dbraw/zinc/22/84/38/375228438.db2.gz MGIPOSPIBBNXLG-RCMYXZNBSA-N 2 2 295.430 3.205 20 0 CGADLP C[C@H](C[NH2+]C/C=C/c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000487319264 375228447 /nfs/dbraw/zinc/22/84/47/375228447.db2.gz MGIPOSPIBBNXLG-RCMYXZNBSA-N 2 2 295.430 3.205 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000188983129 375303743 /nfs/dbraw/zinc/30/37/43/375303743.db2.gz PAKYESOJRWIZDK-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571234 375332845 /nfs/dbraw/zinc/33/28/45/375332845.db2.gz BHSZHTNEYJDTLA-BBRMVZONSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000491571234 375332848 /nfs/dbraw/zinc/33/28/48/375332848.db2.gz BHSZHTNEYJDTLA-BBRMVZONSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])ccc2n1 ZINC000097862649 541995392 /nfs/dbraw/zinc/99/53/92/541995392.db2.gz FOAYLLNRTYSYBH-ACJLOTCBSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])ccc2n1 ZINC000097862649 541995395 /nfs/dbraw/zinc/99/53/95/541995395.db2.gz FOAYLLNRTYSYBH-ACJLOTCBSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335660813 375339356 /nfs/dbraw/zinc/33/93/56/375339356.db2.gz LRTRXEJZJQVQGL-DZGCQCFKSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335660813 375339360 /nfs/dbraw/zinc/33/93/60/375339360.db2.gz LRTRXEJZJQVQGL-DZGCQCFKSA-N 2 2 269.392 3.235 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189373255 375377261 /nfs/dbraw/zinc/37/72/61/375377261.db2.gz YNJZAORGQSZJNP-ZIAGYGMSSA-N 2 2 284.806 3.442 20 0 CGADLP C[C@@H]1CCSCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000335754982 375402374 /nfs/dbraw/zinc/40/23/74/375402374.db2.gz NYVLGPNRCJXAAM-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@@H]1CCSCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000335754982 375402379 /nfs/dbraw/zinc/40/23/79/375402379.db2.gz NYVLGPNRCJXAAM-GFCCVEGCSA-N 2 2 293.461 3.261 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC1CC1 ZINC000191950383 375684676 /nfs/dbraw/zinc/68/46/76/375684676.db2.gz FPKFKOQVNVXKFI-UHFFFAOYSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC1CC1 ZINC000191950383 375684682 /nfs/dbraw/zinc/68/46/82/375684682.db2.gz FPKFKOQVNVXKFI-UHFFFAOYSA-N 2 2 255.365 3.023 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336412190 375791051 /nfs/dbraw/zinc/79/10/51/375791051.db2.gz NRWOANXYLPZQJC-HNNXBMFYSA-N 2 2 299.418 3.018 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000193457588 375879658 /nfs/dbraw/zinc/87/96/58/375879658.db2.gz ZFYLTXWPNFMMGA-CYBMUJFWSA-N 2 2 278.362 3.137 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000193457588 375879663 /nfs/dbraw/zinc/87/96/63/375879663.db2.gz ZFYLTXWPNFMMGA-CYBMUJFWSA-N 2 2 278.362 3.137 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336706632 375911198 /nfs/dbraw/zinc/91/11/98/375911198.db2.gz IWRCCJJAICOHGI-ZOBUZTSGSA-N 2 2 260.425 3.284 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000336706632 375911207 /nfs/dbraw/zinc/91/12/07/375911207.db2.gz IWRCCJJAICOHGI-ZOBUZTSGSA-N 2 2 260.425 3.284 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000194057341 375955819 /nfs/dbraw/zinc/95/58/19/375955819.db2.gz IIKYEULJBPPKAF-WQVCFCJDSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000194057341 375955824 /nfs/dbraw/zinc/95/58/24/375955824.db2.gz IIKYEULJBPPKAF-WQVCFCJDSA-N 2 2 296.842 3.100 20 0 CGADLP C=Cn1cc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000194311223 375981804 /nfs/dbraw/zinc/98/18/04/375981804.db2.gz NQAJSSIPMQXLQS-HNNXBMFYSA-N 2 2 298.434 3.203 20 0 CGADLP Cc1[nH+]ccn1CC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000336857954 376015315 /nfs/dbraw/zinc/01/53/15/376015315.db2.gz WFBXZYGDRIGPOY-UHFFFAOYSA-N 2 2 298.434 3.076 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891371 376021304 /nfs/dbraw/zinc/02/13/04/376021304.db2.gz IMQYQMCLZSSIPZ-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000336891371 376021311 /nfs/dbraw/zinc/02/13/11/376021311.db2.gz IMQYQMCLZSSIPZ-CABCVRRESA-N 2 2 266.816 3.475 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000535690933 376048083 /nfs/dbraw/zinc/04/80/83/376048083.db2.gz QFUPDSCGDTUHFT-UHFFFAOYSA-N 2 2 273.424 3.092 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cscn1 ZINC000536624552 376101765 /nfs/dbraw/zinc/10/17/65/376101765.db2.gz OEMJZAYHMVMLAX-ZDUSSCGKSA-N 2 2 269.458 3.306 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624850 376102614 /nfs/dbraw/zinc/10/26/14/376102614.db2.gz RLLRUTNQPMCKRW-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624850 376102618 /nfs/dbraw/zinc/10/26/18/376102618.db2.gz RLLRUTNQPMCKRW-MJBXVCDLSA-N 2 2 281.469 3.162 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000537647620 376189080 /nfs/dbraw/zinc/18/90/80/376189080.db2.gz QOLMLRRLWDWSQQ-NMNMXBMNSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000537647620 376189085 /nfs/dbraw/zinc/18/90/85/376189085.db2.gz QOLMLRRLWDWSQQ-NMNMXBMNSA-N 2 2 264.457 3.416 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)cccc1Cl ZINC000221782698 376221475 /nfs/dbraw/zinc/22/14/75/376221475.db2.gz YVDCLRHUFVWQDB-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1Cl ZINC000221782698 376221479 /nfs/dbraw/zinc/22/14/79/376221479.db2.gz YVDCLRHUFVWQDB-UHFFFAOYSA-N 2 2 272.795 3.299 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(F)c1 ZINC000221910387 376223204 /nfs/dbraw/zinc/22/32/04/376223204.db2.gz UJQUNTTWRTWIJG-ZDUSSCGKSA-N 2 2 282.403 3.215 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(F)c1 ZINC000221910387 376223209 /nfs/dbraw/zinc/22/32/09/376223209.db2.gz UJQUNTTWRTWIJG-ZDUSSCGKSA-N 2 2 282.403 3.215 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@@H](C)C1 ZINC000538955087 376281390 /nfs/dbraw/zinc/28/13/90/376281390.db2.gz YMLKDWYXGMXDHK-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@@H](C)C1 ZINC000538955087 376281394 /nfs/dbraw/zinc/28/13/94/376281394.db2.gz YMLKDWYXGMXDHK-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@@H](C)C1 ZINC000538955087 376281399 /nfs/dbraw/zinc/28/13/99/376281399.db2.gz YMLKDWYXGMXDHK-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@@H](C)C1 ZINC000538955087 376281402 /nfs/dbraw/zinc/28/14/02/376281402.db2.gz YMLKDWYXGMXDHK-VQHPVUNQSA-N 2 2 264.457 3.371 20 0 CGADLP CC[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000539703845 376325970 /nfs/dbraw/zinc/32/59/70/376325970.db2.gz RVSZXYONLAYJOO-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP CC[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000539703845 376325977 /nfs/dbraw/zinc/32/59/77/376325977.db2.gz RVSZXYONLAYJOO-HZPDHXFCSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000226170200 376340696 /nfs/dbraw/zinc/34/06/96/376340696.db2.gz CZCHEBNHLFHDLA-HLLBOEOZSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753219 376394197 /nfs/dbraw/zinc/39/41/97/376394197.db2.gz CJBIOIMKSYKBLM-PBHICJAKSA-N 2 2 270.420 3.354 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000540753219 376394201 /nfs/dbraw/zinc/39/42/01/376394201.db2.gz CJBIOIMKSYKBLM-PBHICJAKSA-N 2 2 270.420 3.354 20 0 CGADLP COc1cccc(Cl)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228760402 376447302 /nfs/dbraw/zinc/44/73/02/376447302.db2.gz ARRARPADSNQNTR-FUNVUKJBSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cccc(Cl)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228760402 376447307 /nfs/dbraw/zinc/44/73/07/376447307.db2.gz ARRARPADSNQNTR-FUNVUKJBSA-N 2 2 294.826 3.063 20 0 CGADLP CSCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000229581211 376464508 /nfs/dbraw/zinc/46/45/08/376464508.db2.gz AOPZWWKJRYFSEW-UHFFFAOYSA-N 2 2 293.480 3.173 20 0 CGADLP C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230408009 376512849 /nfs/dbraw/zinc/51/28/49/376512849.db2.gz YNBWWNWYJYJBLC-ZBFHGGJFSA-N 2 2 269.392 3.398 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC000231456332 376558529 /nfs/dbraw/zinc/55/85/29/376558529.db2.gz CEJATKWZJOTMKB-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCC[NH2+]CC1 ZINC000231456332 376558532 /nfs/dbraw/zinc/55/85/32/376558532.db2.gz CEJATKWZJOTMKB-LBPRGKRZSA-N 2 2 270.779 3.053 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000339052089 376647490 /nfs/dbraw/zinc/64/74/90/376647490.db2.gz CULVXLCVACPPQB-UHFFFAOYSA-N 2 2 265.360 3.204 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@H]1CC=CCC1)Cc1ccccc1 ZINC000237005335 376725341 /nfs/dbraw/zinc/72/53/41/376725341.db2.gz KBNQEPWCMLUSAJ-ROUUACIJSA-N 2 2 272.436 3.105 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000237681431 376756556 /nfs/dbraw/zinc/75/65/56/376756556.db2.gz WPRLJVCPAOAIGA-PXNSSMCTSA-N 2 2 294.442 3.339 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000237681431 376756564 /nfs/dbraw/zinc/75/65/64/376756564.db2.gz WPRLJVCPAOAIGA-PXNSSMCTSA-N 2 2 294.442 3.339 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000157548691 542134567 /nfs/dbraw/zinc/13/45/67/542134567.db2.gz FGANQXCFJSESOA-LEWSCRJBSA-N 2 2 279.453 3.037 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)s1 ZINC000157548691 542134572 /nfs/dbraw/zinc/13/45/72/542134572.db2.gz FGANQXCFJSESOA-LEWSCRJBSA-N 2 2 279.453 3.037 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000556873951 376895057 /nfs/dbraw/zinc/89/50/57/376895057.db2.gz YKQJPDDHHFAZEW-STQMWFEESA-N 2 2 296.405 3.358 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000556873951 376895066 /nfs/dbraw/zinc/89/50/66/376895066.db2.gz YKQJPDDHHFAZEW-STQMWFEESA-N 2 2 296.405 3.358 20 0 CGADLP CO[C@H](CC(C)C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000557258209 376927329 /nfs/dbraw/zinc/92/73/29/376927329.db2.gz FDHVBKBTJNSBOQ-MRXNPFEDSA-N 2 2 291.439 3.019 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000245913038 376931617 /nfs/dbraw/zinc/93/16/17/376931617.db2.gz VVPRDRVDTNKPKN-CWRNSKLLSA-N 2 2 261.413 3.101 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340182340 376937621 /nfs/dbraw/zinc/93/76/21/376937621.db2.gz WFOLRCGLZUUAHL-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000340182340 376937633 /nfs/dbraw/zinc/93/76/33/376937633.db2.gz WFOLRCGLZUUAHL-DLBZAZTESA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340182342 376937966 /nfs/dbraw/zinc/93/79/66/376937966.db2.gz WFOLRCGLZUUAHL-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000340182342 376937972 /nfs/dbraw/zinc/93/79/72/376937972.db2.gz WFOLRCGLZUUAHL-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OC(C)C ZINC000340194867 376944159 /nfs/dbraw/zinc/94/41/59/376944159.db2.gz NJQQTEPXYQEWQD-GFCCVEGCSA-N 2 2 289.379 3.056 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000340208226 376949354 /nfs/dbraw/zinc/94/93/54/376949354.db2.gz CMMYENAPKZMDOS-HOCLYGCPSA-N 2 2 278.440 3.001 20 0 CGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246430695 377030842 /nfs/dbraw/zinc/03/08/42/377030842.db2.gz NXAQQESDNHZGAL-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246430695 377030850 /nfs/dbraw/zinc/03/08/50/377030850.db2.gz NXAQQESDNHZGAL-NVXWUHKLSA-N 2 2 287.451 3.072 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479549 377039080 /nfs/dbraw/zinc/03/90/80/377039080.db2.gz OUKXBYZYVIQATM-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479549 377039091 /nfs/dbraw/zinc/03/90/91/377039091.db2.gz OUKXBYZYVIQATM-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479549 377039102 /nfs/dbraw/zinc/03/91/02/377039102.db2.gz OUKXBYZYVIQATM-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479549 377039106 /nfs/dbraw/zinc/03/91/06/377039106.db2.gz OUKXBYZYVIQATM-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)nc1 ZINC000340423125 377049020 /nfs/dbraw/zinc/04/90/20/377049020.db2.gz ZKVDHAFCXSXVDO-LADRWXRNSA-N 2 2 299.462 3.214 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccncc1F)C(C)C ZINC000340518121 377115663 /nfs/dbraw/zinc/11/56/63/377115663.db2.gz FQJOUYCOLASVPD-AWEZNQCLSA-N 2 2 281.419 3.380 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975854 377058617 /nfs/dbraw/zinc/05/86/17/377058617.db2.gz DZCUERKTSFUGBK-QYESJMSASA-N 2 2 284.447 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975854 377058628 /nfs/dbraw/zinc/05/86/28/377058628.db2.gz DZCUERKTSFUGBK-QYESJMSASA-N 2 2 284.447 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340527468 377125065 /nfs/dbraw/zinc/12/50/65/377125065.db2.gz SZEFLMMMZSHZNU-VBNZEHGJSA-N 2 2 273.355 3.414 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000559862879 377101148 /nfs/dbraw/zinc/10/11/48/377101148.db2.gz POKYWQYDOXMNOA-CSFVBSKPSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000559862879 377101151 /nfs/dbraw/zinc/10/11/51/377101151.db2.gz POKYWQYDOXMNOA-CSFVBSKPSA-N 2 2 288.410 3.287 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000246872628 377107909 /nfs/dbraw/zinc/10/79/09/377107909.db2.gz QBQJSFFJPSBBTL-VYDXJSESSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000246872628 377107919 /nfs/dbraw/zinc/10/79/19/377107919.db2.gz QBQJSFFJPSBBTL-VYDXJSESSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872628 377107934 /nfs/dbraw/zinc/10/79/34/377107934.db2.gz QBQJSFFJPSBBTL-VYDXJSESSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000246872628 377107948 /nfs/dbraw/zinc/10/79/48/377107948.db2.gz QBQJSFFJPSBBTL-VYDXJSESSA-N 2 2 260.425 3.044 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000560467272 377153793 /nfs/dbraw/zinc/15/37/93/377153793.db2.gz AMXCMGCZVIDBMJ-QGZVFWFLSA-N 2 2 258.409 3.207 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000560467272 377153802 /nfs/dbraw/zinc/15/38/02/377153802.db2.gz AMXCMGCZVIDBMJ-QGZVFWFLSA-N 2 2 258.409 3.207 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247216241 377176924 /nfs/dbraw/zinc/17/69/24/377176924.db2.gz XGQPWSAPBLRCQP-HOCLYGCPSA-N 2 2 286.419 3.117 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247216241 377176933 /nfs/dbraw/zinc/17/69/33/377176933.db2.gz XGQPWSAPBLRCQP-HOCLYGCPSA-N 2 2 286.419 3.117 20 0 CGADLP Fc1ccc2cc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000560618246 377181969 /nfs/dbraw/zinc/18/19/69/377181969.db2.gz BADWJYQKHQKZJP-GFCCVEGCSA-N 2 2 285.366 3.270 20 0 CGADLP Fc1ccc2cc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000560618246 377181973 /nfs/dbraw/zinc/18/19/73/377181973.db2.gz BADWJYQKHQKZJP-GFCCVEGCSA-N 2 2 285.366 3.270 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247647339 377230073 /nfs/dbraw/zinc/23/00/73/377230073.db2.gz OYPNMZYQFRLYOJ-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247647339 377230078 /nfs/dbraw/zinc/23/00/78/377230078.db2.gz OYPNMZYQFRLYOJ-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936602 377247409 /nfs/dbraw/zinc/24/74/09/377247409.db2.gz COIMPLCDQYZPQV-WWGRRREGSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936602 377247419 /nfs/dbraw/zinc/24/74/19/377247419.db2.gz COIMPLCDQYZPQV-WWGRRREGSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247936602 377247426 /nfs/dbraw/zinc/24/74/26/377247426.db2.gz COIMPLCDQYZPQV-WWGRRREGSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936602 377247433 /nfs/dbraw/zinc/24/74/33/377247433.db2.gz COIMPLCDQYZPQV-WWGRRREGSA-N 2 2 294.389 3.442 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562479435 377315212 /nfs/dbraw/zinc/31/52/12/377315212.db2.gz ZEVWNSRZWBHYKD-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562479435 377315220 /nfs/dbraw/zinc/31/52/20/377315220.db2.gz ZEVWNSRZWBHYKD-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562479435 377315226 /nfs/dbraw/zinc/31/52/26/377315226.db2.gz ZEVWNSRZWBHYKD-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000562479435 377315232 /nfs/dbraw/zinc/31/52/32/377315232.db2.gz ZEVWNSRZWBHYKD-VBNZEHGJSA-N 2 2 262.372 3.055 20 0 CGADLP Cc1cc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)ccc1F ZINC000562488899 377317169 /nfs/dbraw/zinc/31/71/69/377317169.db2.gz CMWSZEUIXFKGOJ-UHFFFAOYSA-N 2 2 283.350 3.414 20 0 CGADLP Cc1cc(C[N@H+](C)Cc2cccc3[nH+]ccn32)ccc1F ZINC000562488899 377317175 /nfs/dbraw/zinc/31/71/75/377317175.db2.gz CMWSZEUIXFKGOJ-UHFFFAOYSA-N 2 2 283.350 3.414 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)C2 ZINC000562104029 377278676 /nfs/dbraw/zinc/27/86/76/377278676.db2.gz YHTDANSCDLXKIM-DOTOQJQBSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)CC2 ZINC000562104029 377278679 /nfs/dbraw/zinc/27/86/79/377278679.db2.gz YHTDANSCDLXKIM-DOTOQJQBSA-N 2 2 281.403 3.398 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000248534281 377338104 /nfs/dbraw/zinc/33/81/04/377338104.db2.gz UYPUBZRBHNDYKR-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000248534281 377338114 /nfs/dbraw/zinc/33/81/14/377338114.db2.gz UYPUBZRBHNDYKR-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000248684280 377382222 /nfs/dbraw/zinc/38/22/22/377382222.db2.gz FUJFCHMUZWPPCJ-VNHYZAJKSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1C(C)C ZINC000248684280 377382235 /nfs/dbraw/zinc/38/22/35/377382235.db2.gz FUJFCHMUZWPPCJ-VNHYZAJKSA-N 2 2 290.455 3.048 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000162644859 542164509 /nfs/dbraw/zinc/16/45/09/542164509.db2.gz XADSXPULOQIKLV-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000162644859 542164513 /nfs/dbraw/zinc/16/45/13/542164513.db2.gz XADSXPULOQIKLV-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000164679022 542171305 /nfs/dbraw/zinc/17/13/05/542171305.db2.gz KUFKGWGCWNIBOJ-HOTGVXAUSA-N 2 2 290.451 3.119 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000163703715 542168551 /nfs/dbraw/zinc/16/85/51/542168551.db2.gz RXPCBDTUZNOCIK-DLBZAZTESA-N 2 2 296.499 3.292 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000313265960 249089579 /nfs/dbraw/zinc/08/95/79/249089579.db2.gz HPLMJMZFPUTBMQ-QGZVFWFLSA-N 2 2 269.392 3.020 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000313275030 249089867 /nfs/dbraw/zinc/08/98/67/249089867.db2.gz UZXJMTQKEPTKDQ-NSHDSACASA-N 2 2 297.324 3.332 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000249778907 377532652 /nfs/dbraw/zinc/53/26/52/377532652.db2.gz CQFPAMWUQRIGEF-QILLFSRXSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000459475234 249151001 /nfs/dbraw/zinc/15/10/01/249151001.db2.gz YSZHKCONALEUDQ-OAHLLOKOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000459475234 249151002 /nfs/dbraw/zinc/15/10/02/249151002.db2.gz YSZHKCONALEUDQ-OAHLLOKOSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C ZINC000341423416 377560098 /nfs/dbraw/zinc/56/00/98/377560098.db2.gz KRJADNYQYPZNJI-KRWDZBQOSA-N 2 2 289.467 3.460 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000341469627 377579591 /nfs/dbraw/zinc/57/95/91/377579591.db2.gz VNVWZMXGNGUYLF-OAHLLOKOSA-N 2 2 266.404 3.454 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000515500646 249213602 /nfs/dbraw/zinc/21/36/02/249213602.db2.gz NNAXRCNBDJDEGA-CYBMUJFWSA-N 2 2 283.419 3.458 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000516348336 249231355 /nfs/dbraw/zinc/23/13/55/249231355.db2.gz SWMPQGJYGQTXSF-DOTOQJQBSA-N 2 2 262.441 3.356 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)F)cc1 ZINC000178311019 542196497 /nfs/dbraw/zinc/19/64/97/542196497.db2.gz UTPZFHNTPDNFIV-HNNXBMFYSA-N 2 2 298.377 3.425 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccno2)CC[N@@H+]1Cc1ccccc1 ZINC000265648158 190196757 /nfs/dbraw/zinc/19/67/57/190196757.db2.gz MQNHKWYSWJJCEV-DOTOQJQBSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccno2)CC[N@H+]1Cc1ccccc1 ZINC000265648158 190196758 /nfs/dbraw/zinc/19/67/58/190196758.db2.gz MQNHKWYSWJJCEV-DOTOQJQBSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648158 190196759 /nfs/dbraw/zinc/19/67/59/190196759.db2.gz MQNHKWYSWJJCEV-DOTOQJQBSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccno2)CC[NH+]1Cc1ccccc1 ZINC000265648158 190196760 /nfs/dbraw/zinc/19/67/60/190196760.db2.gz MQNHKWYSWJJCEV-DOTOQJQBSA-N 2 2 299.418 3.160 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000573981549 377603346 /nfs/dbraw/zinc/60/33/46/377603346.db2.gz JWDZZCVKPKEDAF-PMPSAXMXSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000573981549 377603354 /nfs/dbraw/zinc/60/33/54/377603354.db2.gz JWDZZCVKPKEDAF-PMPSAXMXSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCCC2)CC1)[NH+](C)C ZINC000342113258 377629930 /nfs/dbraw/zinc/62/99/30/377629930.db2.gz PVQRRKWKOPSCDQ-CQSZACIVSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000252733849 377660227 /nfs/dbraw/zinc/66/02/27/377660227.db2.gz SUUXHVIZKFWZQA-SJLPKXTDSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000252733849 377660231 /nfs/dbraw/zinc/66/02/31/377660231.db2.gz SUUXHVIZKFWZQA-SJLPKXTDSA-N 2 2 283.419 3.399 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000574441892 377663782 /nfs/dbraw/zinc/66/37/82/377663782.db2.gz FDAGGJMWNGNPNG-MELADBBJSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000574441892 377663788 /nfs/dbraw/zinc/66/37/88/377663788.db2.gz FDAGGJMWNGNPNG-MELADBBJSA-N 2 2 263.429 3.317 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000342608900 377689386 /nfs/dbraw/zinc/68/93/86/377689386.db2.gz ZFJRUBCQNVQSOH-SFHVURJKSA-N 2 2 298.434 3.095 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000342608900 377689391 /nfs/dbraw/zinc/68/93/91/377689391.db2.gz ZFJRUBCQNVQSOH-SFHVURJKSA-N 2 2 298.434 3.095 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000574782114 377707310 /nfs/dbraw/zinc/70/73/10/377707310.db2.gz NUERJZBIRWERCA-GOSISDBHSA-N 2 2 284.403 3.265 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000575170758 377758165 /nfs/dbraw/zinc/75/81/65/377758165.db2.gz ZGFOXDXRJAEJQV-UHFFFAOYSA-N 2 2 296.817 3.263 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000575170758 377758174 /nfs/dbraw/zinc/75/81/74/377758174.db2.gz ZGFOXDXRJAEJQV-UHFFFAOYSA-N 2 2 296.817 3.263 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000261558229 377816197 /nfs/dbraw/zinc/81/61/97/377816197.db2.gz DATIWZAISLHVKJ-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000261558229 377816203 /nfs/dbraw/zinc/81/62/03/377816203.db2.gz DATIWZAISLHVKJ-NEPJUHHUSA-N 2 2 285.218 3.035 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000261567558 377817648 /nfs/dbraw/zinc/81/76/48/377817648.db2.gz IRHJDXPBSKTPKY-MRCXROJRSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000261567558 377817653 /nfs/dbraw/zinc/81/76/53/377817653.db2.gz IRHJDXPBSKTPKY-MRCXROJRSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591796 377823089 /nfs/dbraw/zinc/82/30/89/377823089.db2.gz YAAVHUSDSXEZOP-YGRLFVJLSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261591796 377823095 /nfs/dbraw/zinc/82/30/95/377823095.db2.gz YAAVHUSDSXEZOP-YGRLFVJLSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000261652587 377834241 /nfs/dbraw/zinc/83/42/41/377834241.db2.gz DJCATQKKEBHGDJ-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000261652587 377834250 /nfs/dbraw/zinc/83/42/50/377834250.db2.gz DJCATQKKEBHGDJ-ZDUSSCGKSA-N 2 2 290.304 3.015 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981668 377875673 /nfs/dbraw/zinc/87/56/73/377875673.db2.gz OFPQOWWTVYKGEG-IPMKNSEASA-N 2 2 296.389 3.240 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1c1ccccc1 ZINC000261981668 377875680 /nfs/dbraw/zinc/87/56/80/377875680.db2.gz OFPQOWWTVYKGEG-IPMKNSEASA-N 2 2 296.389 3.240 20 0 CGADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183185831 542228686 /nfs/dbraw/zinc/22/86/86/542228686.db2.gz CHFXDNLIDUNUHC-KRWDZBQOSA-N 2 2 298.434 3.004 20 0 CGADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000183185831 542228690 /nfs/dbraw/zinc/22/86/90/542228690.db2.gz CHFXDNLIDUNUHC-KRWDZBQOSA-N 2 2 298.434 3.004 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100729 377902522 /nfs/dbraw/zinc/90/25/22/377902522.db2.gz GEKOFEDRRXAASR-XHDPSFHLSA-N 2 2 275.783 3.202 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000577989736 378029455 /nfs/dbraw/zinc/02/94/55/378029455.db2.gz QLWNDVFLQSFYMF-OLZOCXBDSA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000577989736 378029460 /nfs/dbraw/zinc/02/94/60/378029460.db2.gz QLWNDVFLQSFYMF-OLZOCXBDSA-N 2 2 261.413 3.073 20 0 CGADLP Cc1cccn2c(C[NH2+]Cc3cc4ccccc4[nH]3)c[nH+]c12 ZINC000343851096 378113861 /nfs/dbraw/zinc/11/38/61/378113861.db2.gz LQZZNBMNXIKCDF-UHFFFAOYSA-N 2 2 290.370 3.414 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897761 378128227 /nfs/dbraw/zinc/12/82/27/378128227.db2.gz YUIUFKGBINLSCK-RHSMWYFYSA-N 2 2 290.451 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897761 378128229 /nfs/dbraw/zinc/12/82/29/378128229.db2.gz YUIUFKGBINLSCK-RHSMWYFYSA-N 2 2 290.451 3.041 20 0 CGADLP C[C@@H]([NH2+]CC1(O)CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268872031 378137918 /nfs/dbraw/zinc/13/79/18/378137918.db2.gz USMXRLUUMBQEEZ-OAHLLOKOSA-N 2 2 299.418 3.218 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000579220575 378140764 /nfs/dbraw/zinc/14/07/64/378140764.db2.gz JGCTUBKRWVDTBP-MSOLQXFVSA-N 2 2 296.414 3.362 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1nc2c(s1)CCC2 ZINC000579342051 378150847 /nfs/dbraw/zinc/15/08/47/378150847.db2.gz QQLNZEAVSSRBJU-XEGUGMAKSA-N 2 2 299.443 3.427 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)[nH]1 ZINC000268717114 378095918 /nfs/dbraw/zinc/09/59/18/378095918.db2.gz ZAZSJHSEOWBVEZ-CQSZACIVSA-N 2 2 299.422 3.101 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccn(C4CCCC4)n3)C2)[nH]1 ZINC000268717114 378095922 /nfs/dbraw/zinc/09/59/22/378095922.db2.gz ZAZSJHSEOWBVEZ-CQSZACIVSA-N 2 2 299.422 3.101 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)c[nH+]1 ZINC000268733871 378098673 /nfs/dbraw/zinc/09/86/73/378098673.db2.gz AZBVHNQRCDYGTM-UHFFFAOYSA-N 2 2 281.403 3.210 20 0 CGADLP CC(C)[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268746899 378101719 /nfs/dbraw/zinc/10/17/19/378101719.db2.gz FZHIBNBICVZUJI-AWEZNQCLSA-N 2 2 257.381 3.066 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC000268783025 378109144 /nfs/dbraw/zinc/10/91/44/378109144.db2.gz ABILGUVEVPXBIH-IAQYHMDHSA-N 2 2 279.334 3.291 20 0 CGADLP COc1cccc(C[C@H]2CCC[N@@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000579809237 378196938 /nfs/dbraw/zinc/19/69/38/378196938.db2.gz JVAWFDXCLJHIKA-MRXNPFEDSA-N 2 2 290.451 3.090 20 0 CGADLP COc1cccc(C[C@H]2CCC[N@H+]2CC[NH2+]C(C)(C)C)c1 ZINC000579809237 378196941 /nfs/dbraw/zinc/19/69/41/378196941.db2.gz JVAWFDXCLJHIKA-MRXNPFEDSA-N 2 2 290.451 3.090 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)n1C ZINC000565241662 322069382 /nfs/dbraw/zinc/06/93/82/322069382.db2.gz GTKKRRDGCFQSSW-LLVKDONJSA-N 2 2 261.344 3.027 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000581864168 378279470 /nfs/dbraw/zinc/27/94/70/378279470.db2.gz VLTFSEGJVHDIRA-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000581864168 378279477 /nfs/dbraw/zinc/27/94/77/378279477.db2.gz VLTFSEGJVHDIRA-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000580782085 378258686 /nfs/dbraw/zinc/25/86/86/378258686.db2.gz SWWQDOWFKHPQQO-MAUKXSAKSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000580782085 378258691 /nfs/dbraw/zinc/25/86/91/378258691.db2.gz SWWQDOWFKHPQQO-MAUKXSAKSA-N 2 2 295.430 3.015 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000270023779 378296023 /nfs/dbraw/zinc/29/60/23/378296023.db2.gz XDNFJHRPLOWOTR-MLGOLLRUSA-N 2 2 270.376 3.439 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1[nH]c(C)c(C)[nH+]1 ZINC000583333160 378323697 /nfs/dbraw/zinc/32/36/97/378323697.db2.gz HSRAVPXWFCHEGL-JKSUJKDBSA-N 2 2 292.471 3.017 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000583333160 378323700 /nfs/dbraw/zinc/32/37/00/378323700.db2.gz HSRAVPXWFCHEGL-JKSUJKDBSA-N 2 2 292.471 3.017 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2cccs2)C2CC2)n1C ZINC000583823898 378350654 /nfs/dbraw/zinc/35/06/54/378350654.db2.gz LPZBLKIUGNUNJB-AWEZNQCLSA-N 2 2 261.394 3.031 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270924388 378413645 /nfs/dbraw/zinc/41/36/45/378413645.db2.gz VTCMYYCCFPTLHI-AWEZNQCLSA-N 2 2 255.365 3.109 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270924388 378413653 /nfs/dbraw/zinc/41/36/53/378413653.db2.gz VTCMYYCCFPTLHI-AWEZNQCLSA-N 2 2 255.365 3.109 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346167421 378488567 /nfs/dbraw/zinc/48/85/67/378488567.db2.gz KHOLWEMJLHELAU-CHWSQXEVSA-N 2 2 275.421 3.412 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C ZINC000346167421 378488570 /nfs/dbraw/zinc/48/85/70/378488570.db2.gz KHOLWEMJLHELAU-CHWSQXEVSA-N 2 2 275.421 3.412 20 0 CGADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000346185531 378496557 /nfs/dbraw/zinc/49/65/57/378496557.db2.gz USZZKKLZJAVLFQ-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000346185531 378496564 /nfs/dbraw/zinc/49/65/64/378496564.db2.gz USZZKKLZJAVLFQ-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199777 378502742 /nfs/dbraw/zinc/50/27/42/378502742.db2.gz GUYXUISDZNZBPN-NEPJUHHUSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199777 378502749 /nfs/dbraw/zinc/50/27/49/378502749.db2.gz GUYXUISDZNZBPN-NEPJUHHUSA-N 2 2 293.461 3.260 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000271809755 378505910 /nfs/dbraw/zinc/50/59/10/378505910.db2.gz UHEQZSAZLZIIAQ-NWDGAFQWSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000271809755 378505913 /nfs/dbraw/zinc/50/59/13/378505913.db2.gz UHEQZSAZLZIIAQ-NWDGAFQWSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346233103 378514836 /nfs/dbraw/zinc/51/48/36/378514836.db2.gz ZDCJNXCQGIKGCW-HLLBOEOZSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346233103 378514840 /nfs/dbraw/zinc/51/48/40/378514840.db2.gz ZDCJNXCQGIKGCW-HLLBOEOZSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@@H+]1C ZINC000346319220 378541788 /nfs/dbraw/zinc/54/17/88/378541788.db2.gz FCBFVXSUUWSFGO-SGTUBPSTSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)CCC[N@H+]1C ZINC000346319220 378541794 /nfs/dbraw/zinc/54/17/94/378541794.db2.gz FCBFVXSUUWSFGO-SGTUBPSTSA-N 2 2 276.399 3.144 20 0 CGADLP CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000346372634 378558741 /nfs/dbraw/zinc/55/87/41/378558741.db2.gz VKNBSOSULSTKSS-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000346372634 378558746 /nfs/dbraw/zinc/55/87/46/378558746.db2.gz VKNBSOSULSTKSS-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2CCSCC2)C1 ZINC000637951374 378642911 /nfs/dbraw/zinc/64/29/11/378642911.db2.gz JPENCEHIINYVBP-UXLLHSPISA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2CCSCC2)C1 ZINC000637951374 378642915 /nfs/dbraw/zinc/64/29/15/378642915.db2.gz JPENCEHIINYVBP-UXLLHSPISA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000637951374 378642916 /nfs/dbraw/zinc/64/29/16/378642916.db2.gz JPENCEHIINYVBP-UXLLHSPISA-N 2 2 296.524 3.467 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000637951374 378642919 /nfs/dbraw/zinc/64/29/19/378642919.db2.gz JPENCEHIINYVBP-UXLLHSPISA-N 2 2 296.524 3.467 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000346620981 378649095 /nfs/dbraw/zinc/64/90/95/378649095.db2.gz RWVILXQEROSMPB-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000638312417 378766092 /nfs/dbraw/zinc/76/60/92/378766092.db2.gz FWVFUAIUDAMDCW-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000638344817 378773112 /nfs/dbraw/zinc/77/31/12/378773112.db2.gz UKZDBYXGGMTQDR-JTDSTZFVSA-N 2 2 295.430 3.457 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000348087117 378784530 /nfs/dbraw/zinc/78/45/30/378784530.db2.gz OIWVNYQAKPPBAU-CHWSQXEVSA-N 2 2 257.381 3.274 20 0 CGADLP C[C@@H](C[NH2+]Cc1nc2ccccc2o1)C[NH+]1CCCCC1 ZINC000638391432 378787668 /nfs/dbraw/zinc/78/76/68/378787668.db2.gz QLMPGYVNSXQBBN-AWEZNQCLSA-N 2 2 287.407 3.039 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1F ZINC000348186089 378829832 /nfs/dbraw/zinc/82/98/32/378829832.db2.gz LRCOOXBLOBZAFY-IUODEOHRSA-N 2 2 273.355 3.078 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)s1 ZINC000346792111 218015674 /nfs/dbraw/zinc/01/56/74/218015674.db2.gz DNCGGOLCNQXMOF-AVGNSLFASA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)s1 ZINC000346792111 218015677 /nfs/dbraw/zinc/01/56/77/218015677.db2.gz DNCGGOLCNQXMOF-AVGNSLFASA-N 2 2 252.427 3.190 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)s1 ZINC000346798610 218017411 /nfs/dbraw/zinc/01/74/11/218017411.db2.gz PUGJMJJQJGGNAL-SCRDCRAPSA-N 2 2 266.454 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)s1 ZINC000346798610 218017412 /nfs/dbraw/zinc/01/74/12/218017412.db2.gz PUGJMJJQJGGNAL-SCRDCRAPSA-N 2 2 266.454 3.444 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000348288614 378887682 /nfs/dbraw/zinc/88/76/82/378887682.db2.gz FJNIKZJFLATZAU-KRWDZBQOSA-N 2 2 290.451 3.101 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000348358529 378925973 /nfs/dbraw/zinc/92/59/73/378925973.db2.gz LDESLFJLDVLHFR-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000348358529 378925979 /nfs/dbraw/zinc/92/59/79/378925979.db2.gz LDESLFJLDVLHFR-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000348364006 378929206 /nfs/dbraw/zinc/92/92/06/378929206.db2.gz BFCDITLEMXTNQB-KGLIPLIRSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)C[NH+](C)C ZINC000348321525 378907787 /nfs/dbraw/zinc/90/77/87/378907787.db2.gz ZYPXSVACHBIEEC-VXGBXAGGSA-N 2 2 288.357 3.176 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347021869 218095574 /nfs/dbraw/zinc/09/55/74/218095574.db2.gz NXJDPKSUZDZGIM-CYBMUJFWSA-N 2 2 288.366 3.270 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000347021869 218095575 /nfs/dbraw/zinc/09/55/75/218095575.db2.gz NXJDPKSUZDZGIM-CYBMUJFWSA-N 2 2 288.366 3.270 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000639054349 378988513 /nfs/dbraw/zinc/98/85/13/378988513.db2.gz OZCRLSCBNDNIBY-VDERGJSUSA-N 2 2 278.465 3.161 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347152798 218139189 /nfs/dbraw/zinc/13/91/89/218139189.db2.gz BFXDUHBIUMWRKQ-QGZVFWFLSA-N 2 2 288.435 3.048 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347152798 218139192 /nfs/dbraw/zinc/13/91/92/218139192.db2.gz BFXDUHBIUMWRKQ-QGZVFWFLSA-N 2 2 288.435 3.048 20 0 CGADLP c1ccc(-c2cccc(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000347161991 218142103 /nfs/dbraw/zinc/14/21/03/218142103.db2.gz IATKBPFAEZYNKH-GOSISDBHSA-N 2 2 293.414 3.075 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000347161991 218142104 /nfs/dbraw/zinc/14/21/04/218142104.db2.gz IATKBPFAEZYNKH-GOSISDBHSA-N 2 2 293.414 3.075 20 0 CGADLP Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1C ZINC000370262965 378999954 /nfs/dbraw/zinc/99/99/54/378999954.db2.gz UFJFHBWAPIUTSW-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370262687 379000029 /nfs/dbraw/zinc/00/00/29/379000029.db2.gz RYFJPDNLMFILIW-RMKNXTFCSA-N 2 2 267.376 3.022 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000639070912 379000916 /nfs/dbraw/zinc/00/09/16/379000916.db2.gz FEECUVLENYAIQM-UKRRQHHQSA-N 2 2 261.413 3.004 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000347315755 218188206 /nfs/dbraw/zinc/18/82/06/218188206.db2.gz HTPNFNCNIUJDNH-IAGOWNOFSA-N 2 2 274.452 3.187 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)Cc1ccccc1 ZINC000347315755 218188207 /nfs/dbraw/zinc/18/82/07/218188207.db2.gz HTPNFNCNIUJDNH-IAGOWNOFSA-N 2 2 274.452 3.187 20 0 CGADLP CC(C)c1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000348870854 379091787 /nfs/dbraw/zinc/09/17/87/379091787.db2.gz VBUHLVMFVZNDMW-PBWFPOADSA-N 2 2 293.480 3.324 20 0 CGADLP CC(C)c1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)s1 ZINC000348870854 379091794 /nfs/dbraw/zinc/09/17/94/379091794.db2.gz VBUHLVMFVZNDMW-PBWFPOADSA-N 2 2 293.480 3.324 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000348870854 379091804 /nfs/dbraw/zinc/09/18/04/379091804.db2.gz VBUHLVMFVZNDMW-PBWFPOADSA-N 2 2 293.480 3.324 20 0 CGADLP CC(C)c1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000348870854 379091810 /nfs/dbraw/zinc/09/18/10/379091810.db2.gz VBUHLVMFVZNDMW-PBWFPOADSA-N 2 2 293.480 3.324 20 0 CGADLP COC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000347394355 218218575 /nfs/dbraw/zinc/21/85/75/218218575.db2.gz YILXWFHXBIJTNH-LEOMRAHMSA-N 2 2 299.418 3.008 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000349181856 379180088 /nfs/dbraw/zinc/18/00/88/379180088.db2.gz FTFQKGMZKFWBHB-NFAWXSAZSA-N 2 2 285.391 3.126 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000349181856 379180096 /nfs/dbraw/zinc/18/00/96/379180096.db2.gz FTFQKGMZKFWBHB-NFAWXSAZSA-N 2 2 285.391 3.126 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CO2 ZINC000277519844 379180809 /nfs/dbraw/zinc/18/08/09/379180809.db2.gz SMEGCEFDRYVWDI-SFHVURJKSA-N 2 2 298.430 3.069 20 0 CGADLP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CO2 ZINC000277519844 379180815 /nfs/dbraw/zinc/18/08/15/379180815.db2.gz SMEGCEFDRYVWDI-SFHVURJKSA-N 2 2 298.430 3.069 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000349346357 379240468 /nfs/dbraw/zinc/24/04/68/379240468.db2.gz KJPJRBIQKQCEGL-UHFFFAOYSA-N 2 2 286.366 3.062 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000349346357 379240471 /nfs/dbraw/zinc/24/04/71/379240471.db2.gz KJPJRBIQKQCEGL-UHFFFAOYSA-N 2 2 286.366 3.062 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420752 379276700 /nfs/dbraw/zinc/27/67/00/379276700.db2.gz RMTFYOKDQWZDSD-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000349420752 379276707 /nfs/dbraw/zinc/27/67/07/379276707.db2.gz RMTFYOKDQWZDSD-HZPDHXFCSA-N 2 2 263.429 3.421 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000349627710 379323830 /nfs/dbraw/zinc/32/38/30/379323830.db2.gz DXLRKCFHOHHKAW-BBRMVZONSA-N 2 2 278.465 3.371 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000349627710 379323837 /nfs/dbraw/zinc/32/38/37/379323837.db2.gz DXLRKCFHOHHKAW-BBRMVZONSA-N 2 2 278.465 3.371 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349600712 379315608 /nfs/dbraw/zinc/31/56/08/379315608.db2.gz QYRVHNONUSEPBK-LLVKDONJSA-N 2 2 287.860 3.007 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)s2)C1 ZINC000349600712 379315617 /nfs/dbraw/zinc/31/56/17/379315617.db2.gz QYRVHNONUSEPBK-LLVKDONJSA-N 2 2 287.860 3.007 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H]1CCSC1 ZINC000278341676 379354511 /nfs/dbraw/zinc/35/45/11/379354511.db2.gz HJZVAQABIDEFOS-CQSZACIVSA-N 2 2 289.448 3.078 20 0 CGADLP c1[nH]cc(C2CC[NH+](CCSc3ccccc3)CC2)[nH+]1 ZINC000374207064 379395274 /nfs/dbraw/zinc/39/52/74/379395274.db2.gz HOWSCCMFPPLQHR-UHFFFAOYSA-N 2 2 287.432 3.381 20 0 CGADLP C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000266747135 190278141 /nfs/dbraw/zinc/27/81/41/190278141.db2.gz MZOYZINJTJGCEU-AWEZNQCLSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266700609 190276099 /nfs/dbraw/zinc/27/60/99/190276099.db2.gz CONZBVVZDKKXKK-GFCCVEGCSA-N 2 2 273.355 3.489 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639648300 379527519 /nfs/dbraw/zinc/52/75/19/379527519.db2.gz MWPGCNONUGYNRY-DLBZAZTESA-N 2 2 288.435 3.396 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639648300 379527528 /nfs/dbraw/zinc/52/75/28/379527528.db2.gz MWPGCNONUGYNRY-DLBZAZTESA-N 2 2 288.435 3.396 20 0 CGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000279843462 379532054 /nfs/dbraw/zinc/53/20/54/379532054.db2.gz ZYZPSMSVWJFAGL-MAUKXSAKSA-N 2 2 284.403 3.298 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376415859 379552553 /nfs/dbraw/zinc/55/25/53/379552553.db2.gz QBSNPANZPTWOHI-LXPRWKDFSA-N 2 2 294.483 3.332 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376415859 379552563 /nfs/dbraw/zinc/55/25/63/379552563.db2.gz QBSNPANZPTWOHI-LXPRWKDFSA-N 2 2 294.483 3.332 20 0 CGADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000376728034 379596149 /nfs/dbraw/zinc/59/61/49/379596149.db2.gz IERAYMRAGIBAQG-UHFFFAOYSA-N 2 2 281.812 3.224 20 0 CGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000376727749 379596670 /nfs/dbraw/zinc/59/66/70/379596670.db2.gz GERWTQMDKQZWSP-UHFFFAOYSA-N 2 2 293.773 3.302 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266917023 190290810 /nfs/dbraw/zinc/29/08/10/190290810.db2.gz KUZRDKYHEKGDSF-CHWSQXEVSA-N 2 2 273.355 3.489 20 0 CGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000280197082 379637399 /nfs/dbraw/zinc/63/73/99/379637399.db2.gz DOOUCWMWWFWPND-GFCCVEGCSA-N 2 2 297.324 3.123 20 0 CGADLP CC[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267018979 190297087 /nfs/dbraw/zinc/29/70/87/190297087.db2.gz AUZZKGMUZAYLOG-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP CC[N@@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267018979 190297088 /nfs/dbraw/zinc/29/70/88/190297088.db2.gz AUZZKGMUZAYLOG-UHFFFAOYSA-N 2 2 298.415 3.351 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377722618 379730765 /nfs/dbraw/zinc/73/07/65/379730765.db2.gz MGTAQSSKCOUTQZ-GFCCVEGCSA-N 2 2 295.386 3.365 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377722618 379730769 /nfs/dbraw/zinc/73/07/69/379730769.db2.gz MGTAQSSKCOUTQZ-GFCCVEGCSA-N 2 2 295.386 3.365 20 0 CGADLP COC[C@@H]1CCCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377627065 379708845 /nfs/dbraw/zinc/70/88/45/379708845.db2.gz PCGOLXVNOFTLCF-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP COC[C@@H]1CCCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000377627065 379708853 /nfs/dbraw/zinc/70/88/53/379708853.db2.gz PCGOLXVNOFTLCF-MRXNPFEDSA-N 2 2 276.424 3.071 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)cc3C)CC2)c1 ZINC000352346201 379772816 /nfs/dbraw/zinc/77/28/16/379772816.db2.gz QNXOLZDIOVTNHV-UHFFFAOYSA-N 2 2 299.393 3.160 20 0 CGADLP CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352541113 379849000 /nfs/dbraw/zinc/84/90/00/379849000.db2.gz UFIJQXAYCCGFPV-GFCCVEGCSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352541113 379849005 /nfs/dbraw/zinc/84/90/05/379849005.db2.gz UFIJQXAYCCGFPV-GFCCVEGCSA-N 2 2 281.469 3.144 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000282121666 379858143 /nfs/dbraw/zinc/85/81/43/379858143.db2.gz JOPQXNVFEFZOGW-NEWSRXKRSA-N 2 2 299.462 3.214 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)oc1C ZINC000282159173 379863513 /nfs/dbraw/zinc/86/35/13/379863513.db2.gz LPDMLHZYTAAGNT-ZDUSSCGKSA-N 2 2 252.402 3.277 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)oc1C ZINC000282159173 379863519 /nfs/dbraw/zinc/86/35/19/379863519.db2.gz LPDMLHZYTAAGNT-ZDUSSCGKSA-N 2 2 252.402 3.277 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467752 379919758 /nfs/dbraw/zinc/91/97/58/379919758.db2.gz VGDVMEMZZXENHJ-KXBFYZLASA-N 2 2 296.414 3.187 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467752 379919762 /nfs/dbraw/zinc/91/97/62/379919762.db2.gz VGDVMEMZZXENHJ-KXBFYZLASA-N 2 2 296.414 3.187 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)oc1C ZINC000282443717 379921304 /nfs/dbraw/zinc/92/13/04/379921304.db2.gz ZNAQUFZONZYEAV-ZDUSSCGKSA-N 2 2 283.375 3.437 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000389253070 379895653 /nfs/dbraw/zinc/89/56/53/379895653.db2.gz BUGLQKDZSJQNLI-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000389253070 379895660 /nfs/dbraw/zinc/89/56/60/379895660.db2.gz BUGLQKDZSJQNLI-MRXNPFEDSA-N 2 2 276.424 3.049 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000352683854 379906776 /nfs/dbraw/zinc/90/67/76/379906776.db2.gz LSLOSSJFFNJVBI-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000352683854 379906782 /nfs/dbraw/zinc/90/67/82/379906782.db2.gz LSLOSSJFFNJVBI-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CCC[N@@H+]1C ZINC000352731231 379929159 /nfs/dbraw/zinc/92/91/59/379929159.db2.gz IEQBUTDGHRKKFN-LXROSGEFSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CCC[N@H+]1C ZINC000352731231 379929167 /nfs/dbraw/zinc/92/91/67/379929167.db2.gz IEQBUTDGHRKKFN-LXROSGEFSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)Cn1cc[nH+]c1 ZINC000352754136 379940941 /nfs/dbraw/zinc/94/09/41/379940941.db2.gz GPOKWMMSLBUBIY-ZRMMWKCHSA-N 2 2 291.345 3.100 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCC34CCOCC4)n2c1 ZINC000282581787 379949043 /nfs/dbraw/zinc/94/90/43/379949043.db2.gz GEKDGYQDAYYJOB-INIZCTEOSA-N 2 2 299.418 3.082 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000352859754 380009899 /nfs/dbraw/zinc/00/98/99/380009899.db2.gz UOHHJJFMHAKAFR-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000352906163 380030373 /nfs/dbraw/zinc/03/03/73/380030373.db2.gz VXPKFNQNSKPQPL-BLVKFPJESA-N 2 2 297.446 3.357 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000352906163 380030376 /nfs/dbraw/zinc/03/03/76/380030376.db2.gz VXPKFNQNSKPQPL-BLVKFPJESA-N 2 2 297.446 3.357 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000641744781 380073151 /nfs/dbraw/zinc/07/31/51/380073151.db2.gz YSIVFQYPSNIMFR-AWEZNQCLSA-N 2 2 296.480 3.459 20 0 CGADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000641744781 380073159 /nfs/dbraw/zinc/07/31/59/380073159.db2.gz YSIVFQYPSNIMFR-AWEZNQCLSA-N 2 2 296.480 3.459 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC000410406080 380092773 /nfs/dbraw/zinc/09/27/73/380092773.db2.gz TXALWRHEEUGILA-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC000410406080 380092783 /nfs/dbraw/zinc/09/27/83/380092783.db2.gz TXALWRHEEUGILA-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC000410406080 380092787 /nfs/dbraw/zinc/09/27/87/380092787.db2.gz TXALWRHEEUGILA-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC000410406080 380092795 /nfs/dbraw/zinc/09/27/95/380092795.db2.gz TXALWRHEEUGILA-CABCVRRESA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ncc(-c2ccccc2)o1 ZINC000641802557 380113583 /nfs/dbraw/zinc/11/35/83/380113583.db2.gz MQNBUMJTDRHNDC-GLQYFDAESA-N 2 2 285.391 3.118 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000284113990 380127115 /nfs/dbraw/zinc/12/71/15/380127115.db2.gz CFRHSHVSUYFKOM-MRXNPFEDSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000268340559 190396539 /nfs/dbraw/zinc/39/65/39/190396539.db2.gz RVQQUZDHCOZKAB-GFCCVEGCSA-N 2 2 261.394 3.166 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000353240737 380183454 /nfs/dbraw/zinc/18/34/54/380183454.db2.gz JVVHVAXEKVTUTI-CQSZACIVSA-N 2 2 296.374 3.079 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2[nH+]1 ZINC000643030342 380206114 /nfs/dbraw/zinc/20/61/14/380206114.db2.gz NXQUEIZUAZIQDR-VXGBXAGGSA-N 2 2 273.355 3.364 20 0 CGADLP CC(C)C[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000353945191 380247652 /nfs/dbraw/zinc/24/76/52/380247652.db2.gz OFVRCMNVAIWHBL-QGZVFWFLSA-N 2 2 271.408 3.303 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(Cl)c1 ZINC000643500840 380321213 /nfs/dbraw/zinc/32/12/13/380321213.db2.gz BEDSYNIUINTNOO-CMPLNLGQSA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000643501301 380322284 /nfs/dbraw/zinc/32/22/84/380322284.db2.gz CHXYUFWBVWAKHR-OCCSQVGLSA-N 2 2 298.377 3.471 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643500991 380322322 /nfs/dbraw/zinc/32/23/22/380322322.db2.gz NHTKIPONEYGVTE-HOCLYGCPSA-N 2 2 276.424 3.268 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000643500946 380322502 /nfs/dbraw/zinc/32/25/02/380322502.db2.gz KDZIWJJGHMSQRF-WFASDCNBSA-N 2 2 268.351 3.148 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643501710 380324277 /nfs/dbraw/zinc/32/42/77/380324277.db2.gz OKRSRFAQURKWTJ-IAGOWNOFSA-N 2 2 258.409 3.260 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1F ZINC000643502143 380324534 /nfs/dbraw/zinc/32/45/34/380324534.db2.gz YCUCENJOSJDZIB-AAEUAGOBSA-N 2 2 282.428 3.340 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502838 380326095 /nfs/dbraw/zinc/32/60/95/380326095.db2.gz SRXQNQSBOYWXES-CXAGYDPISA-N 2 2 288.435 3.149 20 0 CGADLP c1csc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCCC2)c1 ZINC000643506687 380328302 /nfs/dbraw/zinc/32/83/02/380328302.db2.gz FWTHHBZPTBDQFD-OAHLLOKOSA-N 2 2 264.438 3.321 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000643506816 380328612 /nfs/dbraw/zinc/32/86/12/380328612.db2.gz JIRFOWFHRQKNGF-SECBINFHSA-N 2 2 273.207 3.396 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)n1-c1ccccc1 ZINC000414509365 380285297 /nfs/dbraw/zinc/28/52/97/380285297.db2.gz CGXUQZBHHHPMRR-YCPHGPKFSA-N 2 2 299.418 3.084 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H](C)CC(F)(F)F)c[nH+]c12 ZINC000414529010 380302667 /nfs/dbraw/zinc/30/26/67/380302667.db2.gz PBPGIRCKYVPKHC-SNVBAGLBSA-N 2 2 285.313 3.321 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccnc2)cc1 ZINC000643461767 380311378 /nfs/dbraw/zinc/31/13/78/380311378.db2.gz OLIZDEUZARPLJD-QZTJIDSGSA-N 2 2 299.393 3.042 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414691975 380376255 /nfs/dbraw/zinc/37/62/55/380376255.db2.gz CJSZHLGKODZHQI-STQMWFEESA-N 2 2 283.485 3.380 20 0 CGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414691975 380376257 /nfs/dbraw/zinc/37/62/57/380376257.db2.gz CJSZHLGKODZHQI-STQMWFEESA-N 2 2 283.485 3.380 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](CO)C2CCCCC2)c[nH+]1 ZINC000354290966 380388118 /nfs/dbraw/zinc/38/81/18/380388118.db2.gz YTPQYNDCLKNARR-SFHVURJKSA-N 2 2 290.451 3.101 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2ccsc2)CC1 ZINC000414740096 380390972 /nfs/dbraw/zinc/39/09/72/380390972.db2.gz JHLHGMOUCYDLGV-OAHLLOKOSA-N 2 2 266.454 3.301 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)Oc1ccccc1 ZINC000354297997 380391335 /nfs/dbraw/zinc/39/13/35/380391335.db2.gz VZKHCYVLHHFSBQ-UHFFFAOYSA-N 2 2 295.386 3.282 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OC(F)F)c1ccccc1 ZINC000414824974 380434533 /nfs/dbraw/zinc/43/45/33/380434533.db2.gz BNPWWTGYALNKBA-CQSZACIVSA-N 2 2 292.329 3.078 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000414832024 380439598 /nfs/dbraw/zinc/43/95/98/380439598.db2.gz CXGGRBYGOKANOU-GOSISDBHSA-N 2 2 298.434 3.074 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414834792 380441954 /nfs/dbraw/zinc/44/19/54/380441954.db2.gz HANQGNUOBBBCBW-LLVKDONJSA-N 2 2 295.477 3.335 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000414841588 380448034 /nfs/dbraw/zinc/44/80/34/380448034.db2.gz YHPCWCSAYWMWLY-HNNXBMFYSA-N 2 2 294.320 3.495 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)s2)c1 ZINC000414850001 380450951 /nfs/dbraw/zinc/45/09/51/380450951.db2.gz RVMHMXKXKZXORJ-AWEZNQCLSA-N 2 2 290.407 3.396 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@H]2CCSC2)cc1 ZINC000414848028 380451978 /nfs/dbraw/zinc/45/19/78/380451978.db2.gz PITBTDNOBPTFAY-CZUORRHYSA-N 2 2 278.465 3.153 20 0 CGADLP Cc1nc(C)c(CC[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000354330799 380402856 /nfs/dbraw/zinc/40/28/56/380402856.db2.gz AYLVRBXIFCVQDJ-UHFFFAOYSA-N 2 2 289.448 3.228 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000354330557 380403444 /nfs/dbraw/zinc/40/34/44/380403444.db2.gz ASDIOSPWTVAYBF-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000354330557 380403446 /nfs/dbraw/zinc/40/34/46/380403446.db2.gz ASDIOSPWTVAYBF-VQIMIIECSA-N 2 2 295.430 3.315 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000354346296 380407488 /nfs/dbraw/zinc/40/74/88/380407488.db2.gz HCQVKSAFAOHDMP-CYBMUJFWSA-N 2 2 275.421 3.438 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414798709 380413273 /nfs/dbraw/zinc/41/32/73/380413273.db2.gz XQMORKCVXSWJGJ-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414798709 380413277 /nfs/dbraw/zinc/41/32/77/380413277.db2.gz XQMORKCVXSWJGJ-KSSFIOAISA-N 2 2 296.414 3.284 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000414928876 380492794 /nfs/dbraw/zinc/49/27/94/380492794.db2.gz NRAHWYCOXMMBOP-GFCCVEGCSA-N 2 2 274.339 3.055 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)s1 ZINC000354585376 380494766 /nfs/dbraw/zinc/49/47/66/380494766.db2.gz XYBNRPPEPVQSSQ-ZIAGYGMSSA-N 2 2 293.480 3.215 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)s1 ZINC000354585376 380494768 /nfs/dbraw/zinc/49/47/68/380494768.db2.gz XYBNRPPEPVQSSQ-ZIAGYGMSSA-N 2 2 293.480 3.215 20 0 CGADLP CC1CC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414946923 380502013 /nfs/dbraw/zinc/50/20/13/380502013.db2.gz UZBTUJMDEVEHSN-SEFLRBGSSA-N 2 2 254.377 3.228 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCCS2)c[nH+]1 ZINC000354609116 380502181 /nfs/dbraw/zinc/50/21/81/380502181.db2.gz XYRKIJNLAZJOKO-HNNXBMFYSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000414947405 380502981 /nfs/dbraw/zinc/50/29/81/380502981.db2.gz VBFZIZLGTWVREN-NSHDSACASA-N 2 2 282.815 3.098 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843186 380529247 /nfs/dbraw/zinc/52/92/47/380529247.db2.gz IZZGPDJVWDHTSP-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843186 380529249 /nfs/dbraw/zinc/52/92/49/380529249.db2.gz IZZGPDJVWDHTSP-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843186 380529256 /nfs/dbraw/zinc/52/92/56/380529256.db2.gz IZZGPDJVWDHTSP-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)C1 ZINC000644843186 380529259 /nfs/dbraw/zinc/52/92/59/380529259.db2.gz IZZGPDJVWDHTSP-BAHPRDJBSA-N 2 2 292.373 3.006 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000644901438 380542466 /nfs/dbraw/zinc/54/24/66/380542466.db2.gz NYRRWNUINIOFED-CYBMUJFWSA-N 2 2 291.345 3.307 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000644901438 380542473 /nfs/dbraw/zinc/54/24/73/380542473.db2.gz NYRRWNUINIOFED-CYBMUJFWSA-N 2 2 291.345 3.307 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342861 380599650 /nfs/dbraw/zinc/59/96/50/380599650.db2.gz NLGMHNPXMMLEEC-BTFPBAQTSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342861 380599654 /nfs/dbraw/zinc/59/96/54/380599654.db2.gz NLGMHNPXMMLEEC-BTFPBAQTSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000417351275 380603735 /nfs/dbraw/zinc/60/37/35/380603735.db2.gz BXOUBSUTDLGLMK-IGCXYCKISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C2CC2)cc1 ZINC000417351275 380603744 /nfs/dbraw/zinc/60/37/44/380603744.db2.gz BXOUBSUTDLGLMK-IGCXYCKISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171391 380610025 /nfs/dbraw/zinc/61/00/25/380610025.db2.gz WWROLDDNERRLTG-UKRRQHHQSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171391 380610030 /nfs/dbraw/zinc/61/00/30/380610030.db2.gz WWROLDDNERRLTG-UKRRQHHQSA-N 2 2 294.389 3.142 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000645388642 380666392 /nfs/dbraw/zinc/66/63/92/380666392.db2.gz ZFCPXIXNOPNTQP-ZBFHGGJFSA-N 2 2 284.488 3.290 20 0 CGADLP CCSCC[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000355741281 380766264 /nfs/dbraw/zinc/76/62/64/380766264.db2.gz VAPQQTPADHCNHW-KRWDZBQOSA-N 2 2 292.492 3.475 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1c(F)cccc1F ZINC000645813326 380740281 /nfs/dbraw/zinc/74/02/81/380740281.db2.gz HFEHDJNUPLLXTR-KGLIPLIRSA-N 2 2 294.389 3.066 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1c(F)cccc1F ZINC000645813326 380740288 /nfs/dbraw/zinc/74/02/88/380740288.db2.gz HFEHDJNUPLLXTR-KGLIPLIRSA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c(F)cccc1F ZINC000645813326 380740290 /nfs/dbraw/zinc/74/02/90/380740290.db2.gz HFEHDJNUPLLXTR-KGLIPLIRSA-N 2 2 294.389 3.066 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(F)cccc1F ZINC000645813326 380740296 /nfs/dbraw/zinc/74/02/96/380740296.db2.gz HFEHDJNUPLLXTR-KGLIPLIRSA-N 2 2 294.389 3.066 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000646050940 380813871 /nfs/dbraw/zinc/81/38/71/380813871.db2.gz URAXSXZDYZVRPV-HOTGVXAUSA-N 2 2 275.440 3.421 20 0 CGADLP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000646050940 380813874 /nfs/dbraw/zinc/81/38/74/380813874.db2.gz URAXSXZDYZVRPV-HOTGVXAUSA-N 2 2 275.440 3.421 20 0 CGADLP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356853598 380901323 /nfs/dbraw/zinc/90/13/23/380901323.db2.gz SGZHKNUWPZSMQT-NSHDSACASA-N 2 2 278.362 3.039 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCOC[C@@H]1C)[NH+](C)C ZINC000359005302 381333594 /nfs/dbraw/zinc/33/35/94/381333594.db2.gz QSWVJPJDEADNDB-LAQRGFTBSA-N 2 2 290.451 3.001 20 0 CGADLP CC(C)(C[NH2+]Cc1ncc(Cl)s1)C[NH+]1CCCC1 ZINC000360178682 381468866 /nfs/dbraw/zinc/46/88/66/381468866.db2.gz XGQJKKMQXFKLRO-UHFFFAOYSA-N 2 2 287.860 3.008 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000572832664 322356941 /nfs/dbraw/zinc/35/69/41/322356941.db2.gz WEGSHBBXSITWKM-NSHDSACASA-N 2 2 256.340 3.004 20 0 CGADLP Cc1ccc(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c[nH+]1 ZINC000334848790 207181737 /nfs/dbraw/zinc/18/17/37/207181737.db2.gz KJAHTEPNDDISAT-NVXWUHKLSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000360574703 381582403 /nfs/dbraw/zinc/58/24/03/381582403.db2.gz PKTIPYDHCZSVCH-IGCXYCKISA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000360574703 381582407 /nfs/dbraw/zinc/58/24/07/381582407.db2.gz PKTIPYDHCZSVCH-IGCXYCKISA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000360574705 381582602 /nfs/dbraw/zinc/58/26/02/381582602.db2.gz PKTIPYDHCZSVCH-PBFPGSCMSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000360574705 381582613 /nfs/dbraw/zinc/58/26/13/381582613.db2.gz PKTIPYDHCZSVCH-PBFPGSCMSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]1c2ccccc2C[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000361089735 381649213 /nfs/dbraw/zinc/64/92/13/381649213.db2.gz XTSYYKSFVVZVJI-GDBMZVCRSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000361089735 381649219 /nfs/dbraw/zinc/64/92/19/381649219.db2.gz XTSYYKSFVVZVJI-GDBMZVCRSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000361089735 381649230 /nfs/dbraw/zinc/64/92/30/381649230.db2.gz XTSYYKSFVVZVJI-GDBMZVCRSA-N 2 2 258.409 3.438 20 0 CGADLP C[C@@H]1c2ccccc2C[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000361089735 381649238 /nfs/dbraw/zinc/64/92/38/381649238.db2.gz XTSYYKSFVVZVJI-GDBMZVCRSA-N 2 2 258.409 3.438 20 0 CGADLP CCC(CC)[N@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000572920864 322361578 /nfs/dbraw/zinc/36/15/78/322361578.db2.gz OBUWHLCLECRMHM-UHFFFAOYSA-N 2 2 278.440 3.460 20 0 CGADLP CCC(CC)[N@@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000572920864 322361580 /nfs/dbraw/zinc/36/15/80/322361580.db2.gz OBUWHLCLECRMHM-UHFFFAOYSA-N 2 2 278.440 3.460 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346504 381709592 /nfs/dbraw/zinc/70/95/92/381709592.db2.gz OXULIUCVDGWIDJ-YPMHNXCESA-N 2 2 281.469 3.005 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)nc1C(C)C ZINC000361346504 381709598 /nfs/dbraw/zinc/70/95/98/381709598.db2.gz OXULIUCVDGWIDJ-YPMHNXCESA-N 2 2 281.469 3.005 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C)cc1 ZINC000361965826 381878376 /nfs/dbraw/zinc/87/83/76/381878376.db2.gz ISZBRQZCAAWTBN-IRXDYDNUSA-N 2 2 292.492 3.473 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226338162 542290979 /nfs/dbraw/zinc/29/09/79/542290979.db2.gz UNDNLRHMEOPXNP-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226338162 542290984 /nfs/dbraw/zinc/29/09/84/542290984.db2.gz UNDNLRHMEOPXNP-PBHICJAKSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000226339549 542291062 /nfs/dbraw/zinc/29/10/62/542291062.db2.gz UIAHUDNIKATGDU-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000226339549 542291067 /nfs/dbraw/zinc/29/10/67/542291067.db2.gz UIAHUDNIKATGDU-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226338169 542291083 /nfs/dbraw/zinc/29/10/83/542291083.db2.gz UNDNLRHMEOPXNP-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226338169 542291088 /nfs/dbraw/zinc/29/10/88/542291088.db2.gz UNDNLRHMEOPXNP-YOEHRIQHSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000227675224 542296764 /nfs/dbraw/zinc/29/67/64/542296764.db2.gz UFKCAONWYZVFGB-DZGCQCFKSA-N 2 2 269.392 3.473 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000235206148 542311549 /nfs/dbraw/zinc/31/15/49/542311549.db2.gz HWAFNRIPZZNPOO-DGCLKSJQSA-N 2 2 284.350 3.081 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000366844295 382319800 /nfs/dbraw/zinc/31/98/00/382319800.db2.gz IOWBYUSGZSVIKH-MRXNPFEDSA-N 2 2 291.439 3.186 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000366844295 382319805 /nfs/dbraw/zinc/31/98/05/382319805.db2.gz IOWBYUSGZSVIKH-MRXNPFEDSA-N 2 2 291.439 3.186 20 0 CGADLP Oc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237973875 542318699 /nfs/dbraw/zinc/31/86/99/542318699.db2.gz VEFPGWKMXYELCO-GOSISDBHSA-N 2 2 296.414 3.146 20 0 CGADLP Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237973875 542318704 /nfs/dbraw/zinc/31/87/04/542318704.db2.gz VEFPGWKMXYELCO-GOSISDBHSA-N 2 2 296.414 3.146 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251662082 542347726 /nfs/dbraw/zinc/34/77/26/542347726.db2.gz HCIJJZFXOLBPMK-UEKVPHQBSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@H](C)c2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251662082 542347729 /nfs/dbraw/zinc/34/77/29/542347729.db2.gz HCIJJZFXOLBPMK-UEKVPHQBSA-N 2 2 268.351 3.085 20 0 CGADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251704684 542347832 /nfs/dbraw/zinc/34/78/32/542347832.db2.gz OTKPOQLHMUBZQH-VWYCJHECSA-N 2 2 285.218 3.206 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738153 220290749 /nfs/dbraw/zinc/29/07/49/220290749.db2.gz KQPLZEKOHKDSEC-CHWSQXEVSA-N 2 2 282.453 3.061 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738153 220290750 /nfs/dbraw/zinc/29/07/50/220290750.db2.gz KQPLZEKOHKDSEC-CHWSQXEVSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738153 220290752 /nfs/dbraw/zinc/29/07/52/220290752.db2.gz KQPLZEKOHKDSEC-CHWSQXEVSA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2sccc2OC)C[C@H]1C ZINC000353738153 220290753 /nfs/dbraw/zinc/29/07/53/220290753.db2.gz KQPLZEKOHKDSEC-CHWSQXEVSA-N 2 2 282.453 3.061 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccccc1 ZINC000289331559 197299844 /nfs/dbraw/zinc/29/98/44/197299844.db2.gz UYJPLHPVYRQTMP-UHFFFAOYSA-N 2 2 254.377 3.155 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000289284407 197283753 /nfs/dbraw/zinc/28/37/53/197283753.db2.gz OZBAJYZTZROCEC-INIZCTEOSA-N 3 2 289.467 3.034 20 0 CGADLP Cc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289260709 197278740 /nfs/dbraw/zinc/27/87/40/197278740.db2.gz MQQWBDYDAFUJPX-UHFFFAOYSA-N 2 2 254.377 3.421 20 0 CGADLP Cc1ccc(OCC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289211308 197263498 /nfs/dbraw/zinc/26/34/98/197263498.db2.gz IOVLTKYGAUMHPL-UHFFFAOYSA-N 2 2 284.403 3.300 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(F)c1 ZINC000423235590 533107217 /nfs/dbraw/zinc/10/72/17/533107217.db2.gz GPTYPFASPPWJPN-SJKOYZFVSA-N 2 2 288.366 3.185 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000423230981 533109787 /nfs/dbraw/zinc/10/97/87/533109787.db2.gz AHPRYKACWGAFFT-WBMJQRKESA-N 2 2 288.366 3.185 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000298272185 542410506 /nfs/dbraw/zinc/41/05/06/542410506.db2.gz GKMDUPNZMZAFGE-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000298272185 542410509 /nfs/dbraw/zinc/41/05/09/542410509.db2.gz GKMDUPNZMZAFGE-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328734 285268735 /nfs/dbraw/zinc/26/87/35/285268735.db2.gz DVPYAAAKGWVJAZ-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328734 285268736 /nfs/dbraw/zinc/26/87/36/285268736.db2.gz DVPYAAAKGWVJAZ-GXTWGEPZSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453039 285269446 /nfs/dbraw/zinc/26/94/46/285269446.db2.gz QFUJTHWGPFTZBL-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453039 285269449 /nfs/dbraw/zinc/26/94/49/285269449.db2.gz QFUJTHWGPFTZBL-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000281378247 195216227 /nfs/dbraw/zinc/21/62/27/195216227.db2.gz XBJGOSBKQYMWFL-JKSUJKDBSA-N 2 2 289.467 3.346 20 0 CGADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000348103378 542515692 /nfs/dbraw/zinc/51/56/92/542515692.db2.gz PARKJQBHXGBLRC-SJORKVTESA-N 2 2 267.376 3.151 20 0 CGADLP CC(C)[C@H]1CC[C@H]1Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348839552 542522610 /nfs/dbraw/zinc/52/26/10/542522610.db2.gz WUICJVPWUOLDBG-HUUCEWRRSA-N 2 2 270.380 3.173 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353677685 542560319 /nfs/dbraw/zinc/56/03/19/542560319.db2.gz YXLZPXYHXGTXMZ-DZKIICNBSA-N 2 2 286.423 3.060 20 0 CGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000423410934 533237795 /nfs/dbraw/zinc/23/77/95/533237795.db2.gz ASWLIOYEYSRFPL-HNAYVOBHSA-N 2 2 298.430 3.259 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+][C@H](C[NH3+])C3CC3)c(C)c2c1 ZINC000423276182 533358898 /nfs/dbraw/zinc/35/88/98/533358898.db2.gz MOUBXRXVLUCUBX-IAQYHMDHSA-N 2 2 288.391 3.138 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867741 288396469 /nfs/dbraw/zinc/39/64/69/288396469.db2.gz WLJWEVIXDGEZPN-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867741 288396470 /nfs/dbraw/zinc/39/64/70/288396470.db2.gz WLJWEVIXDGEZPN-RYUDHWBXSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423253883 533431790 /nfs/dbraw/zinc/43/17/90/533431790.db2.gz WTOFBCFFESYSPI-FCLVOEFKSA-N 2 2 280.415 3.468 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414064951 533460208 /nfs/dbraw/zinc/46/02/08/533460208.db2.gz NTJUMSFCTIXZAG-CKEIUWERSA-N 2 2 269.392 3.066 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCCC23CCC3)[nH+]c2n1CCCC2 ZINC000449071956 285416678 /nfs/dbraw/zinc/41/66/78/285416678.db2.gz CRWODQFTDCEIJS-OAHLLOKOSA-N 2 2 273.424 3.074 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1csc(Cl)c1 ZINC000423543822 533541027 /nfs/dbraw/zinc/54/10/27/533541027.db2.gz CEMKVFVUEBJSKI-KOLCDFICSA-N 2 2 258.818 3.194 20 0 CGADLP C[C@H]([NH2+]CCCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905934 130038959 /nfs/dbraw/zinc/03/89/59/130038959.db2.gz TUDDLMTUPRXGMS-HNNXBMFYSA-N 2 2 287.407 3.076 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 ZINC000389326268 542608665 /nfs/dbraw/zinc/60/86/65/542608665.db2.gz HBZQJLLPORSYLQ-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)Cc2ccccc2)C1 ZINC000389326268 542608668 /nfs/dbraw/zinc/60/86/68/542608668.db2.gz HBZQJLLPORSYLQ-DLBZAZTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292245 542608680 /nfs/dbraw/zinc/60/86/80/542608680.db2.gz XVJTYXLHVFDAGJ-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000389292245 542608682 /nfs/dbraw/zinc/60/86/82/542608682.db2.gz XVJTYXLHVFDAGJ-YJBOKZPZSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389453058 542608938 /nfs/dbraw/zinc/60/89/38/542608938.db2.gz QQDACQPMPAEDBH-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389453058 542608942 /nfs/dbraw/zinc/60/89/42/542608942.db2.gz QQDACQPMPAEDBH-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000390561473 542610789 /nfs/dbraw/zinc/61/07/89/542610789.db2.gz KIPMJWLKOHZXKR-NRSFXHEJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000390561473 542610795 /nfs/dbraw/zinc/61/07/95/542610795.db2.gz KIPMJWLKOHZXKR-NRSFXHEJSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@H+](C)Cc1ccccc1 ZINC000390660962 542610931 /nfs/dbraw/zinc/61/09/31/542610931.db2.gz NCCARMQFWFOIAL-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000390660962 542610936 /nfs/dbraw/zinc/61/09/36/542610936.db2.gz NCCARMQFWFOIAL-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390568648 542611273 /nfs/dbraw/zinc/61/12/73/542611273.db2.gz RMLMCFKJZDNEBN-SFHVURJKSA-N 2 2 296.414 3.146 20 0 CGADLP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390568648 542611275 /nfs/dbraw/zinc/61/12/75/542611275.db2.gz RMLMCFKJZDNEBN-SFHVURJKSA-N 2 2 296.414 3.146 20 0 CGADLP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC000414861440 542639319 /nfs/dbraw/zinc/63/93/19/542639319.db2.gz FKUIKNJHNHQDSS-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)C)CC1 ZINC000054554403 392093472 /nfs/dbraw/zinc/09/34/72/392093472.db2.gz OOMRFLSZTHZVDC-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)C)CC1 ZINC000054554403 392093480 /nfs/dbraw/zinc/09/34/80/392093480.db2.gz OOMRFLSZTHZVDC-UYSNPLJNSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000224278125 130801215 /nfs/dbraw/zinc/80/12/15/130801215.db2.gz MNSIHPJNHGNGPY-DOTOQJQBSA-N 2 2 292.492 3.412 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000071120353 392188074 /nfs/dbraw/zinc/18/80/74/392188074.db2.gz PRPUOJACFVMABH-CVEARBPZSA-N 2 2 252.446 3.421 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000071120437 392188668 /nfs/dbraw/zinc/18/86/68/392188668.db2.gz CDGHKTHDAWJWIO-JKSUJKDBSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1C3CC4CC(C3)CC1C4)CCC2 ZINC000361665066 392290006 /nfs/dbraw/zinc/29/00/06/392290006.db2.gz UPGVMAZZXBNRAW-NGBNYADNSA-N 2 2 299.462 3.483 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccoc1 ZINC000361691541 392296459 /nfs/dbraw/zinc/29/64/59/392296459.db2.gz DWSUTYHOUCOPCQ-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccoc1 ZINC000361691541 392296462 /nfs/dbraw/zinc/29/64/62/392296462.db2.gz DWSUTYHOUCOPCQ-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739901 392308967 /nfs/dbraw/zinc/30/89/67/392308967.db2.gz BBORZJZBLAIYAS-SUMWQHHRSA-N 2 2 286.419 3.214 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2c(C)oc3ccccc32)C1 ZINC000361739901 392308973 /nfs/dbraw/zinc/30/89/73/392308973.db2.gz BBORZJZBLAIYAS-SUMWQHHRSA-N 2 2 286.419 3.214 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237529647 131039676 /nfs/dbraw/zinc/03/96/76/131039676.db2.gz MIZGTAPDWHBDAM-OAHLLOKOSA-N 2 2 299.418 3.254 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000447598244 542670788 /nfs/dbraw/zinc/67/07/88/542670788.db2.gz GZAKJSLNMHNNRC-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000447598244 542670793 /nfs/dbraw/zinc/67/07/93/542670793.db2.gz GZAKJSLNMHNNRC-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361967071 392377378 /nfs/dbraw/zinc/37/73/78/392377378.db2.gz PSXPDSVFTVCBTQ-HOTGVXAUSA-N 2 2 278.465 3.165 20 0 CGADLP CC[N@H+](C)[C@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000264070595 131390477 /nfs/dbraw/zinc/39/04/77/131390477.db2.gz XPQZTYLOUDKMNR-INIZCTEOSA-N 2 2 283.375 3.022 20 0 CGADLP CC[N@@H+](C)[C@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000264070595 131390478 /nfs/dbraw/zinc/39/04/78/131390478.db2.gz XPQZTYLOUDKMNR-INIZCTEOSA-N 2 2 283.375 3.022 20 0 CGADLP CSCC[C@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000290011140 392439967 /nfs/dbraw/zinc/43/99/67/392439967.db2.gz LZEXIXJCIRIMGS-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP CSCC[C@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000290011140 392439971 /nfs/dbraw/zinc/43/99/71/392439971.db2.gz LZEXIXJCIRIMGS-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000126556818 392442788 /nfs/dbraw/zinc/44/27/88/392442788.db2.gz DTYFRJZXVDQIEN-FGTMMUONSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000126556818 392442793 /nfs/dbraw/zinc/44/27/93/392442793.db2.gz DTYFRJZXVDQIEN-FGTMMUONSA-N 2 2 270.420 3.199 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)c2ccccc2O1 ZINC000295050046 392542521 /nfs/dbraw/zinc/54/25/21/392542521.db2.gz NKEQAICFDJVXBU-CZUORRHYSA-N 2 2 297.402 3.150 20 0 CGADLP Cc1ccc([C@@H](C)[N@H+](C)CCc2c[nH+]cn2C)c(C)c1 ZINC000297658070 392570021 /nfs/dbraw/zinc/57/00/21/392570021.db2.gz JJRNGHJGVCWYGU-OAHLLOKOSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1ccc([C@@H](C)[N@@H+](C)CCc2c[nH+]cn2C)c(C)c1 ZINC000297658070 392570026 /nfs/dbraw/zinc/57/00/26/392570026.db2.gz JJRNGHJGVCWYGU-OAHLLOKOSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cncc(C)c1)CCC2 ZINC000372107398 392584556 /nfs/dbraw/zinc/58/45/56/392584556.db2.gz GCPJDCHFVNKHAW-CABCVRRESA-N 2 2 284.407 3.123 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000301895172 392601006 /nfs/dbraw/zinc/60/10/06/392601006.db2.gz TYVANCQKEMHKCV-AWEZNQCLSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000301895172 392601012 /nfs/dbraw/zinc/60/10/12/392601012.db2.gz TYVANCQKEMHKCV-AWEZNQCLSA-N 2 2 294.402 3.495 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330151 392673693 /nfs/dbraw/zinc/67/36/93/392673693.db2.gz DKUNCIXBUCIHEQ-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330151 392673703 /nfs/dbraw/zinc/67/37/03/392673703.db2.gz DKUNCIXBUCIHEQ-CXAGYDPISA-N 2 2 288.410 3.277 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccoc1)CCC2 ZINC000374574465 392681285 /nfs/dbraw/zinc/68/12/85/392681285.db2.gz HOWWZOIPSUFMQJ-CHWSQXEVSA-N 2 2 259.353 3.013 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333505 392681495 /nfs/dbraw/zinc/68/14/95/392681495.db2.gz SVJIHAITJJSAFQ-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccccc2F)CCC1 ZINC000647333505 392681499 /nfs/dbraw/zinc/68/14/99/392681499.db2.gz SVJIHAITJJSAFQ-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000647290321 392640630 /nfs/dbraw/zinc/64/06/30/392640630.db2.gz BYYKKSAAVFLOFZ-DOTOQJQBSA-N 2 2 275.440 3.100 20 0 CGADLP CC(C)C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000647290321 392640633 /nfs/dbraw/zinc/64/06/33/392640633.db2.gz BYYKKSAAVFLOFZ-DOTOQJQBSA-N 2 2 275.440 3.100 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000306728357 392643741 /nfs/dbraw/zinc/64/37/41/392643741.db2.gz NOHQQFSYXOXVFB-LPHOPBHVSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000306728357 392643747 /nfs/dbraw/zinc/64/37/47/392643747.db2.gz NOHQQFSYXOXVFB-LPHOPBHVSA-N 2 2 280.415 3.439 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000373010071 392656093 /nfs/dbraw/zinc/65/60/93/392656093.db2.gz AYSDYMHYOOGMIB-IJEWVQPXSA-N 2 2 276.424 3.319 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000373010071 392656099 /nfs/dbraw/zinc/65/60/99/392656099.db2.gz AYSDYMHYOOGMIB-IJEWVQPXSA-N 2 2 276.424 3.319 20 0 CGADLP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553863 392767828 /nfs/dbraw/zinc/76/78/28/392767828.db2.gz LHDCNUDXRSZOTR-CQSZACIVSA-N 2 2 291.464 3.175 20 0 CGADLP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000647488778 392739076 /nfs/dbraw/zinc/73/90/76/392739076.db2.gz SOMXYABJJGMNRO-KBPBESRZSA-N 2 2 291.464 3.127 20 0 CGADLP c1nc(C2CC2)c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000647488778 392739079 /nfs/dbraw/zinc/73/90/79/392739079.db2.gz SOMXYABJJGMNRO-KBPBESRZSA-N 2 2 291.464 3.127 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000647531118 392751582 /nfs/dbraw/zinc/75/15/82/392751582.db2.gz BVCXZGRINSPPJW-UHFFFAOYSA-N 2 2 293.461 3.185 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554377 392769058 /nfs/dbraw/zinc/76/90/58/392769058.db2.gz YEQMFOWTLPCPFD-LLVKDONJSA-N 2 2 270.829 3.166 20 0 CGADLP Clc1ccsc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554291 392769366 /nfs/dbraw/zinc/76/93/66/392769366.db2.gz WDXFEIXATUMYRK-GFCCVEGCSA-N 2 2 270.829 3.166 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C1CC(c3ccccc3)C1)CCCC2 ZINC000375314999 392767000 /nfs/dbraw/zinc/76/70/00/392767000.db2.gz ATAZWSRXUBADJS-UHFFFAOYSA-N 2 2 281.403 3.255 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000335569561 392799368 /nfs/dbraw/zinc/79/93/68/392799368.db2.gz QYGUKSLIGIRPCP-CYBMUJFWSA-N 2 2 285.218 3.322 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CC(C)(C)[NH+](C)C ZINC000510654576 392806679 /nfs/dbraw/zinc/80/66/79/392806679.db2.gz ZKWAAJDHWFVBIQ-GFCCVEGCSA-N 2 2 284.394 3.216 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337447102 392886733 /nfs/dbraw/zinc/88/67/33/392886733.db2.gz GWPSXQDFWWSXLN-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337447102 392886738 /nfs/dbraw/zinc/88/67/38/392886738.db2.gz GWPSXQDFWWSXLN-AWEZNQCLSA-N 2 2 250.430 3.031 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338019928 392897335 /nfs/dbraw/zinc/89/73/35/392897335.db2.gz RDTLOOFFRBXHAC-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338019928 392897340 /nfs/dbraw/zinc/89/73/40/392897340.db2.gz RDTLOOFFRBXHAC-HOTGVXAUSA-N 2 2 264.457 3.277 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000381523000 392909993 /nfs/dbraw/zinc/90/99/93/392909993.db2.gz NEAVCQSGUGFLGP-VXTDNTOSSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2)C1CC1 ZINC000381523000 392909996 /nfs/dbraw/zinc/90/99/96/392909996.db2.gz NEAVCQSGUGFLGP-VXTDNTOSSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382078938 392916613 /nfs/dbraw/zinc/91/66/13/392916613.db2.gz HVXKVYLSKZHQND-PRLABOORSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382078938 392916621 /nfs/dbraw/zinc/91/66/21/392916621.db2.gz HVXKVYLSKZHQND-PRLABOORSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336810907 392869282 /nfs/dbraw/zinc/86/92/82/392869282.db2.gz JZIWGFARIJWRGV-HEHGZKQESA-N 2 2 255.365 3.321 20 0 CGADLP CCCC[C@@H](CC)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000534884299 542750404 /nfs/dbraw/zinc/75/04/04/542750404.db2.gz SHVUBDLRGAHUNI-HUUCEWRRSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212416 542747881 /nfs/dbraw/zinc/74/78/81/542747881.db2.gz GLBNDRIOCOXGKF-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000532212416 542747884 /nfs/dbraw/zinc/74/78/84/542747884.db2.gz GLBNDRIOCOXGKF-QMTHXVAHSA-N 2 2 287.234 3.076 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nccs2)C[C@H]1c1ccccc1 ZINC000340192163 392965189 /nfs/dbraw/zinc/96/51/89/392965189.db2.gz YTSSGUGOGAUEHY-CABCVRRESA-N 2 2 287.432 3.068 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nccs2)C[C@H]1c1ccccc1 ZINC000340192163 392965190 /nfs/dbraw/zinc/96/51/90/392965190.db2.gz YTSSGUGOGAUEHY-CABCVRRESA-N 2 2 287.432 3.068 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000340192167 392965686 /nfs/dbraw/zinc/96/56/86/392965686.db2.gz YTSSGUGOGAUEHY-HUUCEWRRSA-N 2 2 287.432 3.068 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nccs2)C[C@@H]1c1ccccc1 ZINC000340192167 392965697 /nfs/dbraw/zinc/96/56/97/392965697.db2.gz YTSSGUGOGAUEHY-HUUCEWRRSA-N 2 2 287.432 3.068 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[C@H]1c1ccccc1 ZINC000559914400 542757637 /nfs/dbraw/zinc/75/76/37/542757637.db2.gz HOUJLNVMLDHHHT-NCOADZHNSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)C[C@H]1c1ccccc1 ZINC000559914400 542757640 /nfs/dbraw/zinc/75/76/40/542757640.db2.gz HOUJLNVMLDHHHT-NCOADZHNSA-N 2 2 276.399 3.302 20 0 CGADLP CCC[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414999173 393086005 /nfs/dbraw/zinc/08/60/05/393086005.db2.gz VHYIJHHQMXZUBR-ZIAGYGMSSA-N 2 2 270.367 3.142 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000547279101 393101012 /nfs/dbraw/zinc/10/10/12/393101012.db2.gz IRBVBZTVFAHQPM-KRWDZBQOSA-N 2 2 272.436 3.249 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000547279101 393101016 /nfs/dbraw/zinc/10/10/16/393101016.db2.gz IRBVBZTVFAHQPM-KRWDZBQOSA-N 2 2 272.436 3.249 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)CC(F)(F)F ZINC000414265922 393045720 /nfs/dbraw/zinc/04/57/20/393045720.db2.gz LYPUFHDEBSBTAD-NTZNESFSSA-N 2 2 278.362 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)CC(F)(F)F ZINC000414265922 393045726 /nfs/dbraw/zinc/04/57/26/393045726.db2.gz LYPUFHDEBSBTAD-NTZNESFSSA-N 2 2 278.362 3.037 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000344532832 393046596 /nfs/dbraw/zinc/04/65/96/393046596.db2.gz GLBRHTCEZTYTPP-LQKXBSAESA-N 2 2 275.440 3.483 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414950800 393057913 /nfs/dbraw/zinc/05/79/13/393057913.db2.gz ICIPESYPDOQUOF-RHSMWYFYSA-N 2 2 276.424 3.096 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000546613984 393061162 /nfs/dbraw/zinc/06/11/62/393061162.db2.gz ZDUYGECBJSKHBI-ZIAGYGMSSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000546613984 393061168 /nfs/dbraw/zinc/06/11/68/393061168.db2.gz ZDUYGECBJSKHBI-ZIAGYGMSSA-N 2 2 266.454 3.001 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CCCc1ccc(C)nc1 ZINC000415062179 393121852 /nfs/dbraw/zinc/12/18/52/393121852.db2.gz DSJCRLJJAFUETB-IBGZPJMESA-N 2 2 297.446 3.175 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000415062116 393122283 /nfs/dbraw/zinc/12/22/83/393122283.db2.gz ZRSZLXZPHUAEHM-LLVKDONJSA-N 2 2 275.223 3.456 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000353251924 393217846 /nfs/dbraw/zinc/21/78/46/393217846.db2.gz RMIJEFXEZZLWKQ-OBJOEFQTSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)C1CCC(F)(F)CC1 ZINC000353251924 393217848 /nfs/dbraw/zinc/21/78/48/393217848.db2.gz RMIJEFXEZZLWKQ-OBJOEFQTSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nccc2ccccc21 ZINC000353266234 393218246 /nfs/dbraw/zinc/21/82/46/393218246.db2.gz ZNEFEYYERFIOLX-YCPHGPKFSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nccc2ccccc21 ZINC000353266234 393218250 /nfs/dbraw/zinc/21/82/50/393218250.db2.gz ZNEFEYYERFIOLX-YCPHGPKFSA-N 2 2 283.419 3.368 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000470316932 393238349 /nfs/dbraw/zinc/23/83/49/393238349.db2.gz KMBOIGMZCDPTBP-QAPCUYQASA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000470316932 393238354 /nfs/dbraw/zinc/23/83/54/393238354.db2.gz KMBOIGMZCDPTBP-QAPCUYQASA-N 2 2 274.452 3.425 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000352185822 393200696 /nfs/dbraw/zinc/20/06/96/393200696.db2.gz GOKNOLQSGPDDIK-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C(F)F)CCCCC1 ZINC000352185822 393200704 /nfs/dbraw/zinc/20/07/04/393200704.db2.gz GOKNOLQSGPDDIK-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP CCc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000575636917 393202972 /nfs/dbraw/zinc/20/29/72/393202972.db2.gz DGZHJBCDZGVKFF-UHFFFAOYSA-N 2 2 296.418 3.116 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000352790598 393209092 /nfs/dbraw/zinc/20/90/92/393209092.db2.gz UXGUEPTYKRYYAM-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000352790598 393209098 /nfs/dbraw/zinc/20/90/98/393209098.db2.gz UXGUEPTYKRYYAM-DQYPLSBCSA-N 2 2 276.399 3.349 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)o1 ZINC000268979728 393214019 /nfs/dbraw/zinc/21/40/19/393214019.db2.gz HPMWPWAHRHOOIE-PKWAYOAASA-N 2 2 262.397 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)o1 ZINC000268979728 393214021 /nfs/dbraw/zinc/21/40/21/393214021.db2.gz HPMWPWAHRHOOIE-PKWAYOAASA-N 2 2 262.397 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)o1 ZINC000268979725 393214200 /nfs/dbraw/zinc/21/42/00/393214200.db2.gz HPMWPWAHRHOOIE-KNHMANMVSA-N 2 2 262.397 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)o1 ZINC000268979725 393214202 /nfs/dbraw/zinc/21/42/02/393214202.db2.gz HPMWPWAHRHOOIE-KNHMANMVSA-N 2 2 262.397 3.030 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000471595672 393285929 /nfs/dbraw/zinc/28/59/29/393285929.db2.gz JDTFBIHWTNIHNM-OFQRWUPVSA-N 2 2 278.465 3.015 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000471595672 393285936 /nfs/dbraw/zinc/28/59/36/393285936.db2.gz JDTFBIHWTNIHNM-OFQRWUPVSA-N 2 2 278.465 3.015 20 0 CGADLP CC1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000355333396 393298249 /nfs/dbraw/zinc/29/82/49/393298249.db2.gz KOZBZPOLRVONOM-UHFFFAOYSA-N 2 2 290.373 3.180 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000355213051 393262504 /nfs/dbraw/zinc/26/25/04/393262504.db2.gz WHNVKVOYOUXKMG-SWLSCSKDSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000355213051 393262511 /nfs/dbraw/zinc/26/25/11/393262511.db2.gz WHNVKVOYOUXKMG-SWLSCSKDSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000355213051 393262515 /nfs/dbraw/zinc/26/25/15/393262515.db2.gz WHNVKVOYOUXKMG-SWLSCSKDSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000355213051 393262519 /nfs/dbraw/zinc/26/25/19/393262519.db2.gz WHNVKVOYOUXKMG-SWLSCSKDSA-N 2 2 294.826 3.382 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356210391 393382747 /nfs/dbraw/zinc/38/27/47/393382747.db2.gz DWGQVSTWDABSGS-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cscc2C(F)(F)F)C1 ZINC000356210391 393382750 /nfs/dbraw/zinc/38/27/50/393382750.db2.gz DWGQVSTWDABSGS-JTQLQIEISA-N 2 2 292.370 3.150 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)F ZINC000647225831 393397274 /nfs/dbraw/zinc/39/72/74/393397274.db2.gz DIAGBQZPCHKIPH-OFQRWUPVSA-N 2 2 296.405 3.388 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(F)F ZINC000647225831 393397279 /nfs/dbraw/zinc/39/72/79/393397279.db2.gz DIAGBQZPCHKIPH-OFQRWUPVSA-N 2 2 296.405 3.388 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000474724144 393343962 /nfs/dbraw/zinc/34/39/62/393343962.db2.gz AVPPWTDSHGWPSJ-IIAWOOMASA-N 2 2 288.435 3.014 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000474724144 393343966 /nfs/dbraw/zinc/34/39/66/393343966.db2.gz AVPPWTDSHGWPSJ-IIAWOOMASA-N 2 2 288.435 3.014 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000474946381 393361494 /nfs/dbraw/zinc/36/14/94/393361494.db2.gz ZLMOEKXTHDFXRW-WCVJEAGWSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000474946381 393361500 /nfs/dbraw/zinc/36/15/00/393361500.db2.gz ZLMOEKXTHDFXRW-WCVJEAGWSA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)[C@@H]3CC3(C)C)cn21 ZINC000647262589 393421092 /nfs/dbraw/zinc/42/10/92/393421092.db2.gz FUSCRLZYLDJQCQ-ZFWWWQNUSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCCCC3)cn21 ZINC000647262874 393421265 /nfs/dbraw/zinc/42/12/65/393421265.db2.gz VTAVWPKIZCBWTI-UHFFFAOYSA-N 2 2 257.381 3.108 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CC(C)C)cn21 ZINC000647262685 393421354 /nfs/dbraw/zinc/42/13/54/393421354.db2.gz JZZHQPMHHAUCJI-CYBMUJFWSA-N 2 2 259.397 3.209 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000481582265 393437828 /nfs/dbraw/zinc/43/78/28/393437828.db2.gz NUIZKGBZOZPPNN-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000481582265 393437830 /nfs/dbraw/zinc/43/78/30/393437830.db2.gz NUIZKGBZOZPPNN-MSOLQXFVSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393295 393482097 /nfs/dbraw/zinc/48/20/97/393482097.db2.gz XJRKAMDSCGQXTE-RPVQJOFSSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420393295 393482106 /nfs/dbraw/zinc/48/21/06/393482106.db2.gz XJRKAMDSCGQXTE-RPVQJOFSSA-N 2 2 284.378 3.313 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328745 393468433 /nfs/dbraw/zinc/46/84/33/393468433.db2.gz FNUWMTLRWATIRM-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328745 393468440 /nfs/dbraw/zinc/46/84/40/393468440.db2.gz FNUWMTLRWATIRM-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364217 393475280 /nfs/dbraw/zinc/47/52/80/393475280.db2.gz IKGUSJUMEZUOOD-IAGOWNOFSA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364217 393475285 /nfs/dbraw/zinc/47/52/85/393475285.db2.gz IKGUSJUMEZUOOD-IAGOWNOFSA-N 2 2 294.389 3.491 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365780 393477175 /nfs/dbraw/zinc/47/71/75/393477175.db2.gz LPFSHMXFIFEVCZ-JTNHKYCSSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1C ZINC000488348814 393493076 /nfs/dbraw/zinc/49/30/76/393493076.db2.gz CWKQGJZCNZZNKV-BPUTZDHNSA-N 2 2 283.419 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1C ZINC000488348814 393493081 /nfs/dbraw/zinc/49/30/81/393493081.db2.gz CWKQGJZCNZZNKV-BPUTZDHNSA-N 2 2 283.419 3.465 20 0 CGADLP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962644 393504460 /nfs/dbraw/zinc/50/44/60/393504460.db2.gz GFFKLGNZHLORTF-KZNAEPCWSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000356962644 393504463 /nfs/dbraw/zinc/50/44/63/393504463.db2.gz GFFKLGNZHLORTF-KZNAEPCWSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(C(C)C)C1)CCC2 ZINC000488433192 393510396 /nfs/dbraw/zinc/51/03/96/393510396.db2.gz NBTZDMBCAHQBEZ-WLYUNCDWSA-N 2 2 261.413 3.093 20 0 CGADLP COc1cccc([C@H](C[NH2+]C[C@@H]2C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000488435641 393512075 /nfs/dbraw/zinc/51/20/75/393512075.db2.gz AQXWSCYMYSTFSM-ZVZYQTTQSA-N 2 2 288.435 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430084186 393518143 /nfs/dbraw/zinc/51/81/43/393518143.db2.gz XWZJWBQTDVBIHK-GOSISDBHSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430084186 393518148 /nfs/dbraw/zinc/51/81/48/393518148.db2.gz XWZJWBQTDVBIHK-GOSISDBHSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430084187 393519028 /nfs/dbraw/zinc/51/90/28/393519028.db2.gz XWZJWBQTDVBIHK-SFHVURJKSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430084187 393519034 /nfs/dbraw/zinc/51/90/34/393519034.db2.gz XWZJWBQTDVBIHK-SFHVURJKSA-N 2 2 295.430 3.288 20 0 CGADLP Cc1cccc(C2([NH2+]C[C@@H]3CCC[N@H+]3C)CCC2)c1 ZINC000649635544 393519802 /nfs/dbraw/zinc/51/98/02/393519802.db2.gz WYEIZXILSMBQKI-INIZCTEOSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1cccc(C2([NH2+]C[C@@H]3CCC[N@@H+]3C)CCC2)c1 ZINC000649635544 393519805 /nfs/dbraw/zinc/51/98/05/393519805.db2.gz WYEIZXILSMBQKI-INIZCTEOSA-N 2 2 258.409 3.058 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000358203326 393521492 /nfs/dbraw/zinc/52/14/92/393521492.db2.gz NVSXFORQGICKHX-ZBFHGGJFSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000358203326 393521494 /nfs/dbraw/zinc/52/14/94/393521494.db2.gz NVSXFORQGICKHX-ZBFHGGJFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358371799 393523762 /nfs/dbraw/zinc/52/37/62/393523762.db2.gz AJAMPJDQTCHLGU-TUKIKUTGSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358371799 393523766 /nfs/dbraw/zinc/52/37/66/393523766.db2.gz AJAMPJDQTCHLGU-TUKIKUTGSA-N 2 2 266.816 3.331 20 0 CGADLP c1[nH]c(C[NH+]2CCC3(CCc4ccccc4C3)CC2)c[nH+]1 ZINC000649647237 393523773 /nfs/dbraw/zinc/52/37/73/393523773.db2.gz GFTVWNLDYOGUQP-UHFFFAOYSA-N 2 2 281.403 3.181 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)Cc2ccccc2O1 ZINC000430137106 393528163 /nfs/dbraw/zinc/52/81/63/393528163.db2.gz KREVBZSQRUTTFM-CQSZACIVSA-N 2 2 293.370 3.117 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)Cc2ccccc2O1 ZINC000430137106 393528165 /nfs/dbraw/zinc/52/81/65/393528165.db2.gz KREVBZSQRUTTFM-CQSZACIVSA-N 2 2 293.370 3.117 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000359090494 393536258 /nfs/dbraw/zinc/53/62/58/393536258.db2.gz UPKWWVSGZLCEAC-ZBFHGGJFSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000359090494 393536260 /nfs/dbraw/zinc/53/62/60/393536260.db2.gz UPKWWVSGZLCEAC-ZBFHGGJFSA-N 2 2 250.430 3.053 20 0 CGADLP CCC[NH+](CCC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420898093 393537919 /nfs/dbraw/zinc/53/79/19/393537919.db2.gz CHFNURHJKBFQAE-UHFFFAOYSA-N 2 2 290.451 3.141 20 0 CGADLP c1cn2c([nH+]1)[C@@H](C[NH2+]C1CCc3ccccc3CC1)CCC2 ZINC000453113688 285540661 /nfs/dbraw/zinc/54/06/61/285540661.db2.gz FIERWGABFFCPLH-QGZVFWFLSA-N 2 2 295.430 3.298 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000430547890 393573361 /nfs/dbraw/zinc/57/33/61/393573361.db2.gz LGVXWXLXFWBFEA-CQSZACIVSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565863 393576262 /nfs/dbraw/zinc/57/62/62/393576262.db2.gz BAUKSHBMFSVUAN-STQMWFEESA-N 2 2 281.444 3.338 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565863 393576269 /nfs/dbraw/zinc/57/62/69/393576269.db2.gz BAUKSHBMFSVUAN-STQMWFEESA-N 2 2 281.444 3.338 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCSCc1ccccc1 ZINC000430751252 393593259 /nfs/dbraw/zinc/59/32/59/393593259.db2.gz UHARBYPTYLPADB-INIZCTEOSA-N 2 2 292.492 3.384 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360858719 393599937 /nfs/dbraw/zinc/59/99/37/393599937.db2.gz LYUMXALHRTYIBB-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360858719 393599941 /nfs/dbraw/zinc/59/99/41/393599941.db2.gz LYUMXALHRTYIBB-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430604230 393580481 /nfs/dbraw/zinc/58/04/81/393580481.db2.gz PTBDHEGRFXEWIY-WBMJQRKESA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430604230 393580491 /nfs/dbraw/zinc/58/04/91/393580491.db2.gz PTBDHEGRFXEWIY-WBMJQRKESA-N 2 2 282.378 3.347 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422918161 393645721 /nfs/dbraw/zinc/64/57/21/393645721.db2.gz GTCQRWGLBLZAHC-YESZJQIVSA-N 2 2 294.414 3.024 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000423086111 393650907 /nfs/dbraw/zinc/65/09/07/393650907.db2.gz MKKYKTMYIYETNH-BBWFWOEESA-N 2 2 276.399 3.323 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000423123790 393651798 /nfs/dbraw/zinc/65/17/98/393651798.db2.gz NIVDVTJPNMUIOT-LSJOCFKGSA-N 2 2 270.829 3.119 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc2ccccc2c1 ZINC000423356018 393663973 /nfs/dbraw/zinc/66/39/73/393663973.db2.gz GITBRPUMNFBOPZ-DEYYWGMASA-N 2 2 268.404 3.488 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@@H+]1C1CC1 ZINC000491388507 393684720 /nfs/dbraw/zinc/68/47/20/393684720.db2.gz KKFULWYGLPCCKI-RDTXWAMCSA-N 2 2 284.447 3.280 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C[N@H+]1C1CC1 ZINC000491388507 393684723 /nfs/dbraw/zinc/68/47/23/393684723.db2.gz KKFULWYGLPCCKI-RDTXWAMCSA-N 2 2 284.447 3.280 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000423555161 393673168 /nfs/dbraw/zinc/67/31/68/393673168.db2.gz LVXBZCAAZPBVGM-NWDGAFQWSA-N 2 2 286.341 3.498 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000502022051 393866345 /nfs/dbraw/zinc/86/63/45/393866345.db2.gz XYEUIKOEWZQSSW-GJZGRUSLSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@@H+]1CCCC[C@H]1C ZINC000502247216 393871864 /nfs/dbraw/zinc/87/18/64/393871864.db2.gz HLJAIMBJFYLAPE-NQNKBUKLSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@H+]1CCCC[C@H]1C ZINC000502247216 393871866 /nfs/dbraw/zinc/87/18/66/393871866.db2.gz HLJAIMBJFYLAPE-NQNKBUKLSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449529319 393884476 /nfs/dbraw/zinc/88/44/76/393884476.db2.gz WIOHZRXIVFJQGT-INIZCTEOSA-N 2 2 276.449 3.150 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000449529319 393884477 /nfs/dbraw/zinc/88/44/77/393884477.db2.gz WIOHZRXIVFJQGT-INIZCTEOSA-N 2 2 276.449 3.150 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000503017290 393889857 /nfs/dbraw/zinc/88/98/57/393889857.db2.gz UOBCJSVCSCFWGC-LMMKCTJWSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000503017290 393889860 /nfs/dbraw/zinc/88/98/60/393889860.db2.gz UOBCJSVCSCFWGC-LMMKCTJWSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000449554083 393899427 /nfs/dbraw/zinc/89/94/27/393899427.db2.gz AEPPNZPRMJACFZ-YNEHKIRRSA-N 2 2 268.832 3.372 20 0 CGADLP C([N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C12CCC(CC1)C2 ZINC000450266415 393993409 /nfs/dbraw/zinc/99/34/09/393993409.db2.gz QQNIOESIIKPUCY-CGZBRXJRSA-N 2 2 262.441 3.127 20 0 CGADLP C([N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C12CCC(CC1)C2 ZINC000450266415 393993415 /nfs/dbraw/zinc/99/34/15/393993415.db2.gz QQNIOESIIKPUCY-CGZBRXJRSA-N 2 2 262.441 3.127 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCC3=CCCCC3)CC2)[nH]1 ZINC000450476370 393998673 /nfs/dbraw/zinc/99/86/73/393998673.db2.gz PDSMDHMFESQFSB-UHFFFAOYSA-N 2 2 259.397 3.480 20 0 CGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000450773238 394035821 /nfs/dbraw/zinc/03/58/21/394035821.db2.gz ASLWROVEWMVSRV-BZNIZROVSA-N 2 2 287.794 3.029 20 0 CGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000450773238 394035827 /nfs/dbraw/zinc/03/58/27/394035827.db2.gz ASLWROVEWMVSRV-BZNIZROVSA-N 2 2 287.794 3.029 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCc2ccccc2CC1 ZINC000453186643 394199347 /nfs/dbraw/zinc/19/93/47/394199347.db2.gz WWUORHKCVHPOPM-UHFFFAOYSA-N 2 2 280.415 3.470 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000453406823 394236008 /nfs/dbraw/zinc/23/60/08/394236008.db2.gz UKZMEENQMIDLRA-UKRRQHHQSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000453406823 394236010 /nfs/dbraw/zinc/23/60/10/394236010.db2.gz UKZMEENQMIDLRA-UKRRQHHQSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453164448 394193630 /nfs/dbraw/zinc/19/36/30/394193630.db2.gz AFOHWLJORDBOGM-MRXNPFEDSA-N 2 2 283.419 3.329 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453603638 394255611 /nfs/dbraw/zinc/25/56/11/394255611.db2.gz IQXKYNWBPWDYAY-KRWDZBQOSA-N 2 2 258.409 3.491 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)n1C ZINC000667536321 542885879 /nfs/dbraw/zinc/88/58/79/542885879.db2.gz VWUOHDUYHLZMES-GOSISDBHSA-N 2 2 281.403 3.380 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1C ZINC000667536321 542885882 /nfs/dbraw/zinc/88/58/82/542885882.db2.gz VWUOHDUYHLZMES-GOSISDBHSA-N 2 2 281.403 3.380 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000667654842 542907637 /nfs/dbraw/zinc/90/76/37/542907637.db2.gz MPQNAAJLNLTEHW-PXAZEXFGSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)n1C ZINC000667654842 542907639 /nfs/dbraw/zinc/90/76/39/542907639.db2.gz MPQNAAJLNLTEHW-PXAZEXFGSA-N 2 2 287.382 3.451 20 0 CGADLP CCC[N@H+](CCc1cccc(F)c1)Cc1c[nH+]c(C)n1C ZINC000667639907 542901728 /nfs/dbraw/zinc/90/17/28/542901728.db2.gz FNSNPFGQOQHWQF-UHFFFAOYSA-N 2 2 289.398 3.322 20 0 CGADLP CCC[N@@H+](CCc1cccc(F)c1)Cc1c[nH+]c(C)n1C ZINC000667639907 542901731 /nfs/dbraw/zinc/90/17/31/542901731.db2.gz FNSNPFGQOQHWQF-UHFFFAOYSA-N 2 2 289.398 3.322 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)n1C ZINC000667664819 542910496 /nfs/dbraw/zinc/91/04/96/542910496.db2.gz TZKOVOONAFECSL-UHFFFAOYSA-N 2 2 298.434 3.113 20 0 CGADLP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670940 542911575 /nfs/dbraw/zinc/91/15/75/542911575.db2.gz CDPLZHGBZIZFJJ-RDJZCZTQSA-N 2 2 295.430 3.282 20 0 CGADLP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670940 542911577 /nfs/dbraw/zinc/91/15/77/542911577.db2.gz CDPLZHGBZIZFJJ-RDJZCZTQSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)n1C ZINC000667671178 542913261 /nfs/dbraw/zinc/91/32/61/542913261.db2.gz KFVDFSUOQUXFKE-PBHICJAKSA-N 2 2 283.419 3.182 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)n1C ZINC000667671178 542913263 /nfs/dbraw/zinc/91/32/63/542913263.db2.gz KFVDFSUOQUXFKE-PBHICJAKSA-N 2 2 283.419 3.182 20 0 CGADLP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670941 542913450 /nfs/dbraw/zinc/91/34/50/542913450.db2.gz CDPLZHGBZIZFJJ-WBVHZDCISA-N 2 2 295.430 3.282 20 0 CGADLP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667670941 542913453 /nfs/dbraw/zinc/91/34/53/542913453.db2.gz CDPLZHGBZIZFJJ-WBVHZDCISA-N 2 2 295.430 3.282 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccccc1 ZINC000667690016 542916589 /nfs/dbraw/zinc/91/65/89/542916589.db2.gz MSOBDFOOUGMEMA-DYVFJYSZSA-N 2 2 267.376 3.022 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccccc1 ZINC000667690016 542916592 /nfs/dbraw/zinc/91/65/92/542916592.db2.gz MSOBDFOOUGMEMA-DYVFJYSZSA-N 2 2 267.376 3.022 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)[nH]c2c1 ZINC000667705526 542920142 /nfs/dbraw/zinc/92/01/42/542920142.db2.gz FUYQUSKACWIHSJ-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)[nH]c2c1 ZINC000667705526 542920144 /nfs/dbraw/zinc/92/01/44/542920144.db2.gz FUYQUSKACWIHSJ-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705526 542920146 /nfs/dbraw/zinc/92/01/46/542920146.db2.gz FUYQUSKACWIHSJ-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)[nH]c2c1 ZINC000667705526 542920148 /nfs/dbraw/zinc/92/01/48/542920148.db2.gz FUYQUSKACWIHSJ-QFBILLFUSA-N 2 2 297.446 3.392 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705614 542921139 /nfs/dbraw/zinc/92/11/39/542921139.db2.gz HLXFUWKKQPVSEK-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705614 542921142 /nfs/dbraw/zinc/92/11/42/542921142.db2.gz HLXFUWKKQPVSEK-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705614 542921145 /nfs/dbraw/zinc/92/11/45/542921145.db2.gz HLXFUWKKQPVSEK-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705614 542921148 /nfs/dbraw/zinc/92/11/48/542921148.db2.gz HLXFUWKKQPVSEK-RISCZKNCSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667714739 542921798 /nfs/dbraw/zinc/92/17/98/542921798.db2.gz PWRKNZRYEHTKEC-AYBZRNKSSA-N 2 2 299.462 3.347 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913138 542944519 /nfs/dbraw/zinc/94/45/19/542944519.db2.gz ZETZREHKHSZFQT-SKWUIDRYSA-N 2 2 299.462 3.385 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000668154009 542976530 /nfs/dbraw/zinc/97/65/30/542976530.db2.gz BQMBAGBQPGRSHV-UAGQMJEPSA-N 2 2 260.425 3.171 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCCCOc1ccccc1 ZINC000668432403 543012571 /nfs/dbraw/zinc/01/25/71/543012571.db2.gz RKUPENRTQVMPKP-MRXNPFEDSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCCCOc1ccccc1 ZINC000668432403 543012573 /nfs/dbraw/zinc/01/25/73/543012573.db2.gz RKUPENRTQVMPKP-MRXNPFEDSA-N 2 2 290.451 3.308 20 0 CGADLP CC1=CC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000668616451 543036142 /nfs/dbraw/zinc/03/61/42/543036142.db2.gz NAFWHNKJOMIEIO-HOTGVXAUSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000668617172 543035976 /nfs/dbraw/zinc/03/59/76/543035976.db2.gz VSOKNUHWHWNUNB-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)c1[nH+]c(CN[C@H](C)c2[nH+]ccn2C)c2ccccn21 ZINC000668747658 543055487 /nfs/dbraw/zinc/05/54/87/543055487.db2.gz IUEGZVOCHXCKGV-CYBMUJFWSA-N 2 2 297.406 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419025 543104623 /nfs/dbraw/zinc/10/46/23/543104623.db2.gz ZGQIQRGGMLMTTH-DRPJVOAASA-N 2 2 290.476 3.314 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419025 543104626 /nfs/dbraw/zinc/10/46/26/543104626.db2.gz ZGQIQRGGMLMTTH-DRPJVOAASA-N 2 2 290.476 3.314 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000314444239 292077903 /nfs/dbraw/zinc/07/79/03/292077903.db2.gz XYHVZEKRWVGNBJ-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000671194852 543162355 /nfs/dbraw/zinc/16/23/55/543162355.db2.gz DMKMZRHACZSBRV-ARJAWSKDSA-N 2 2 285.366 3.162 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)n1 ZINC000671302952 543168890 /nfs/dbraw/zinc/16/88/90/543168890.db2.gz RNYZTCITVIQYDQ-ZDUSSCGKSA-N 2 2 284.407 3.082 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671754077 543186459 /nfs/dbraw/zinc/18/64/59/543186459.db2.gz QGOSTKITELUFGM-LBPRGKRZSA-N 2 2 297.358 3.130 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000675766039 543361940 /nfs/dbraw/zinc/36/19/40/543361940.db2.gz GSFBXSPJXSTCSN-BZSNNMDCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000675766039 543361942 /nfs/dbraw/zinc/36/19/42/543361942.db2.gz GSFBXSPJXSTCSN-BZSNNMDCSA-N 2 2 272.436 3.082 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000675766611 543362139 /nfs/dbraw/zinc/36/21/39/543362139.db2.gz MIHPOMFPLHNAEM-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000675766611 543362141 /nfs/dbraw/zinc/36/21/41/543362141.db2.gz MIHPOMFPLHNAEM-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766843 543362469 /nfs/dbraw/zinc/36/24/69/543362469.db2.gz PTUOQAYDLSPUNX-ZFWWWQNUSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000675766843 543362471 /nfs/dbraw/zinc/36/24/71/543362471.db2.gz PTUOQAYDLSPUNX-ZFWWWQNUSA-N 2 2 298.377 3.423 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675768455 543362927 /nfs/dbraw/zinc/36/29/27/543362927.db2.gz YDLPNXQPNAGJRK-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675768455 543362930 /nfs/dbraw/zinc/36/29/30/543362930.db2.gz YDLPNXQPNAGJRK-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1 ZINC000675732738 543358511 /nfs/dbraw/zinc/35/85/11/543358511.db2.gz FHAHPTONZJQGKW-FUHWJXTLSA-N 2 2 286.463 3.451 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1 ZINC000675732738 543358514 /nfs/dbraw/zinc/35/85/14/543358514.db2.gz FHAHPTONZJQGKW-FUHWJXTLSA-N 2 2 286.463 3.451 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000675731961 543358780 /nfs/dbraw/zinc/35/87/80/543358780.db2.gz WMEFSRQZYNHJQH-QGZVFWFLSA-N 2 2 258.409 3.213 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675735831 543359199 /nfs/dbraw/zinc/35/91/99/543359199.db2.gz YMSQFVWSUMVJFF-LZWOXQAQSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675735831 543359200 /nfs/dbraw/zinc/35/92/00/543359200.db2.gz YMSQFVWSUMVJFF-LZWOXQAQSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000675743917 543360101 /nfs/dbraw/zinc/36/01/01/543360101.db2.gz VBHWULFNCQZMKN-MRXNPFEDSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@H]1CCC[C@@H]1[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675926169 543375015 /nfs/dbraw/zinc/37/50/15/543375015.db2.gz LULDHVGIDRZXNH-HOCLYGCPSA-N 2 2 271.408 3.354 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675833194 543367566 /nfs/dbraw/zinc/36/75/66/543367566.db2.gz GZUFOSFRPQSUDZ-QAPCUYQASA-N 2 2 284.447 3.483 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675833194 543367569 /nfs/dbraw/zinc/36/75/69/543367569.db2.gz GZUFOSFRPQSUDZ-QAPCUYQASA-N 2 2 284.447 3.483 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675833681 543368344 /nfs/dbraw/zinc/36/83/44/543368344.db2.gz MVZURHXCHJGRHA-SUMWQHHRSA-N 2 2 290.838 3.401 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675833681 543368347 /nfs/dbraw/zinc/36/83/47/543368347.db2.gz MVZURHXCHJGRHA-SUMWQHHRSA-N 2 2 290.838 3.401 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833839 543368395 /nfs/dbraw/zinc/36/83/95/543368395.db2.gz PLFVMAYJLNIINK-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000675833839 543368398 /nfs/dbraw/zinc/36/83/98/543368398.db2.gz PLFVMAYJLNIINK-WOJBJXKFSA-N 2 2 298.474 3.390 20 0 CGADLP Clc1cscc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000676416179 543396801 /nfs/dbraw/zinc/39/68/01/543396801.db2.gz YOWIUTJKIQSVLP-RYUDHWBXSA-N 2 2 270.829 3.118 20 0 CGADLP Clc1cscc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000676416179 543396803 /nfs/dbraw/zinc/39/68/03/543396803.db2.gz YOWIUTJKIQSVLP-RYUDHWBXSA-N 2 2 270.829 3.118 20 0 CGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479411 543398883 /nfs/dbraw/zinc/39/88/83/543398883.db2.gz SUSDNSWITFXTKG-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479411 543398886 /nfs/dbraw/zinc/39/88/86/543398886.db2.gz SUSDNSWITFXTKG-QGZVFWFLSA-N 2 2 299.418 3.216 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234242 543498865 /nfs/dbraw/zinc/49/88/65/543498865.db2.gz BDCQPEWKJQFNLW-HZPDHXFCSA-N 2 2 297.402 3.086 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCOc4ccccc43)C2)c[nH+]1 ZINC000678234242 543498866 /nfs/dbraw/zinc/49/88/66/543498866.db2.gz BDCQPEWKJQFNLW-HZPDHXFCSA-N 2 2 297.402 3.086 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nccc4ccccc43)C2)[nH]1 ZINC000678190774 543491904 /nfs/dbraw/zinc/49/19/04/543491904.db2.gz VDXRRSXBCPTABF-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nccc4ccccc43)C2)[nH]1 ZINC000678190774 543491906 /nfs/dbraw/zinc/49/19/06/543491906.db2.gz VDXRRSXBCPTABF-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340878 543515867 /nfs/dbraw/zinc/51/58/67/543515867.db2.gz SAWMGHODWNVSMN-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340878 543515870 /nfs/dbraw/zinc/51/58/70/543515870.db2.gz SAWMGHODWNVSMN-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3Cl)CC[C@@H]21 ZINC000678340878 543515871 /nfs/dbraw/zinc/51/58/71/543515871.db2.gz SAWMGHODWNVSMN-FZMZJTMJSA-N 2 2 284.856 3.318 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000348186981 292206033 /nfs/dbraw/zinc/20/60/33/292206033.db2.gz NPBZFGQFDHRIGH-FUHWJXTLSA-N 2 2 281.403 3.247 20 0 CGADLP c1csc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)c1 ZINC000278276139 296640258 /nfs/dbraw/zinc/64/02/58/296640258.db2.gz APTJWHLVPWPBIL-UONOGXRCSA-N 2 2 296.505 3.228 20 0 CGADLP COCC1(C[N@@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318557 292232290 /nfs/dbraw/zinc/23/22/90/292232290.db2.gz NHLPPDHQZPDQSP-IXDOHACOSA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[N@H+]2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318557 292232292 /nfs/dbraw/zinc/23/22/92/292232292.db2.gz NHLPPDHQZPDQSP-IXDOHACOSA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[NH+]2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318557 292232293 /nfs/dbraw/zinc/23/22/93/292232293.db2.gz NHLPPDHQZPDQSP-IXDOHACOSA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[NH+]2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318557 292232294 /nfs/dbraw/zinc/23/22/94/292232294.db2.gz NHLPPDHQZPDQSP-IXDOHACOSA-N 2 2 294.483 3.140 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449554484 292268082 /nfs/dbraw/zinc/26/80/82/292268082.db2.gz BOCACXMQVIUTFY-UAGQMJEPSA-N 2 2 260.425 3.171 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C12CCC2 ZINC000344034819 286538317 /nfs/dbraw/zinc/53/83/17/286538317.db2.gz OWRAAJCXLFOOGD-HOTGVXAUSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)c1nc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000067216280 286973644 /nfs/dbraw/zinc/97/36/44/286973644.db2.gz SHNZXKFACOVROU-UHFFFAOYSA-N 2 2 292.452 3.207 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000080452142 287065635 /nfs/dbraw/zinc/06/56/35/287065635.db2.gz KATHUIXJRGUAAY-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080452142 287065637 /nfs/dbraw/zinc/06/56/37/287065637.db2.gz KATHUIXJRGUAAY-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000086585863 287083196 /nfs/dbraw/zinc/08/31/96/287083196.db2.gz QFCRGBUEDFVFKL-UHFFFAOYSA-N 2 2 293.798 3.115 20 0 CGADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000063548827 165031891 /nfs/dbraw/zinc/03/18/91/165031891.db2.gz JOQLLEZHVRHRNU-UHFFFAOYSA-N 2 2 285.322 3.203 20 0 CGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000065321897 165033631 /nfs/dbraw/zinc/03/36/31/165033631.db2.gz HVALPVSAGYGVLY-UHFFFAOYSA-N 2 2 299.374 3.153 20 0 CGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000065321897 165033632 /nfs/dbraw/zinc/03/36/32/165033632.db2.gz HVALPVSAGYGVLY-UHFFFAOYSA-N 2 2 299.374 3.153 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000080279259 165154809 /nfs/dbraw/zinc/15/48/09/165154809.db2.gz OFERSJUOZCPTCC-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nccs1 ZINC000080279259 165154812 /nfs/dbraw/zinc/15/48/12/165154812.db2.gz OFERSJUOZCPTCC-QWHCGFSZSA-N 2 2 267.442 3.058 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081570205 165165228 /nfs/dbraw/zinc/16/52/28/165165228.db2.gz GVGNKXQKBJRWNN-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000081570205 165165231 /nfs/dbraw/zinc/16/52/31/165165231.db2.gz GVGNKXQKBJRWNN-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081570205 165165232 /nfs/dbraw/zinc/16/52/32/165165232.db2.gz GVGNKXQKBJRWNN-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000081570205 165165235 /nfs/dbraw/zinc/16/52/35/165165235.db2.gz GVGNKXQKBJRWNN-AWEZNQCLSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1nccs1 ZINC000086510125 165184013 /nfs/dbraw/zinc/18/40/13/165184013.db2.gz GRVIWOHLBOXTCP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1nccs1 ZINC000086510125 165184016 /nfs/dbraw/zinc/18/40/16/165184016.db2.gz GRVIWOHLBOXTCP-CYBMUJFWSA-N 2 2 281.469 3.448 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cncs3)C2)CC1 ZINC000092587658 165304157 /nfs/dbraw/zinc/30/41/57/165304157.db2.gz SWEKYVRTKPQFLW-OAHLLOKOSA-N 2 2 293.480 3.087 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cncs3)C2)CC1 ZINC000092587658 165304160 /nfs/dbraw/zinc/30/41/60/165304160.db2.gz SWEKYVRTKPQFLW-OAHLLOKOSA-N 2 2 293.480 3.087 20 0 CGADLP CCOc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648316 165307024 /nfs/dbraw/zinc/30/70/24/165307024.db2.gz DZJIBIZVHHATMT-UHFFFAOYSA-N 2 2 285.391 3.119 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000092738589 165310232 /nfs/dbraw/zinc/31/02/32/165310232.db2.gz APLGEJYYRVZGNU-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(C2CC2)s1 ZINC000093660188 287118068 /nfs/dbraw/zinc/11/80/68/287118068.db2.gz DFOIWIULJJPBIH-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(C2CC2)s1 ZINC000093660188 287118069 /nfs/dbraw/zinc/11/80/69/287118069.db2.gz DFOIWIULJJPBIH-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(C2CC2)s1 ZINC000093660188 287118071 /nfs/dbraw/zinc/11/80/71/287118071.db2.gz DFOIWIULJJPBIH-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(C2CC2)s1 ZINC000093660188 287118073 /nfs/dbraw/zinc/11/80/73/287118073.db2.gz DFOIWIULJJPBIH-AWEZNQCLSA-N 2 2 293.480 3.327 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000114725551 287152224 /nfs/dbraw/zinc/15/22/24/287152224.db2.gz PDOTUBWDJLELNM-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000114725551 287152226 /nfs/dbraw/zinc/15/22/26/287152226.db2.gz PDOTUBWDJLELNM-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000020128826 171015977 /nfs/dbraw/zinc/01/59/77/171015977.db2.gz OYICSOKFZWHVFH-CYBMUJFWSA-N 2 2 282.378 3.491 20 0 CGADLP c1cn(CCC[NH2+]Cc2ccc3ccccc3c2)c[nH+]1 ZINC000020305156 171142018 /nfs/dbraw/zinc/14/20/18/171142018.db2.gz UMBZGAALFXZIRS-UHFFFAOYSA-N 2 2 265.360 3.216 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000035274813 172095784 /nfs/dbraw/zinc/09/57/84/172095784.db2.gz AZDYFSNURKTFTL-JTQLQIEISA-N 2 2 284.190 3.368 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126683365 287270707 /nfs/dbraw/zinc/27/07/07/287270707.db2.gz FBBGPXIBKVDTRZ-SJORKVTESA-N 2 2 294.870 3.373 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000285604282 196340575 /nfs/dbraw/zinc/34/05/75/196340575.db2.gz JWUCOXZPXYWQRU-OAHLLOKOSA-N 2 2 275.440 3.161 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000285788922 196398552 /nfs/dbraw/zinc/39/85/52/196398552.db2.gz UNNVQMUEFPHUTC-MRXNPFEDSA-N 2 2 257.381 3.323 20 0 CGADLP CC(C)CCOCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000045094211 175307025 /nfs/dbraw/zinc/30/70/25/175307025.db2.gz XZVYBZHWYDGXLK-UHFFFAOYSA-N 2 2 287.407 3.025 20 0 CGADLP CC(C)c1nc(NC2CCC(C[NH+](C)C)CC2)cc[nH+]1 ZINC000128156923 287304659 /nfs/dbraw/zinc/30/46/59/287304659.db2.gz ADRNKMQZQUEJFE-UHFFFAOYSA-N 2 2 276.428 3.132 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000070939667 176013047 /nfs/dbraw/zinc/01/30/47/176013047.db2.gz AFBXMBMDAZFPRS-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071206560 176080545 /nfs/dbraw/zinc/08/05/45/176080545.db2.gz MNIYKMUDRDNRBA-CZUORRHYSA-N 2 2 255.365 3.151 20 0 CGADLP CCC[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000071314802 176121012 /nfs/dbraw/zinc/12/10/12/176121012.db2.gz VEAANHMMHBSKIR-RRFJBIMHSA-N 2 2 252.446 3.275 20 0 CGADLP CCC[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000071314802 176121013 /nfs/dbraw/zinc/12/10/13/176121013.db2.gz VEAANHMMHBSKIR-RRFJBIMHSA-N 2 2 252.446 3.275 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC23CCCCC3)n1C ZINC000313017380 416533391 /nfs/dbraw/zinc/53/33/91/416533391.db2.gz KNUDTWUSQWTATE-HNNXBMFYSA-N 2 2 290.455 3.079 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800011 416534208 /nfs/dbraw/zinc/53/42/08/416534208.db2.gz RGTFNLWCXWWSMY-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800011 416534213 /nfs/dbraw/zinc/53/42/13/416534213.db2.gz RGTFNLWCXWWSMY-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800011 416534217 /nfs/dbraw/zinc/53/42/17/416534217.db2.gz RGTFNLWCXWWSMY-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000312800011 416534220 /nfs/dbraw/zinc/53/42/20/416534220.db2.gz RGTFNLWCXWWSMY-XJKSGUPXSA-N 2 2 298.858 3.034 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000122340204 416503461 /nfs/dbraw/zinc/50/34/61/416503461.db2.gz YAHDCUGWGQNDPG-WDMOLILDSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000122340204 416503465 /nfs/dbraw/zinc/50/34/65/416503465.db2.gz YAHDCUGWGQNDPG-WDMOLILDSA-N 2 2 268.351 3.085 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000679339392 543622391 /nfs/dbraw/zinc/62/23/91/543622391.db2.gz JFRBSQOIDKABJD-QRTARXTBSA-N 2 2 298.434 3.204 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000679339392 543622394 /nfs/dbraw/zinc/62/23/94/543622394.db2.gz JFRBSQOIDKABJD-QRTARXTBSA-N 2 2 298.434 3.204 20 0 CGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584650 543649495 /nfs/dbraw/zinc/64/94/95/543649495.db2.gz XNBRRXSRCVNYDU-NEPJUHHUSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000679584650 543649498 /nfs/dbraw/zinc/64/94/98/543649498.db2.gz XNBRRXSRCVNYDU-NEPJUHHUSA-N 2 2 297.324 3.497 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000680336982 543699917 /nfs/dbraw/zinc/69/99/17/543699917.db2.gz IVFAHCHBIYFYQI-RYUDHWBXSA-N 2 2 266.351 3.181 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000130409738 287354495 /nfs/dbraw/zinc/35/44/95/287354495.db2.gz TYGPHNDRIDRHHX-MSOLQXFVSA-N 2 2 272.436 3.398 20 0 CGADLP Cn1cc[nH+]c1[C@@H](Nc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000681562698 543794642 /nfs/dbraw/zinc/79/46/42/543794642.db2.gz BKHQGOBTPWIBQG-INIZCTEOSA-N 2 2 284.407 3.045 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1cc[nH+]c2c(O)cccc12 ZINC000682243756 543836480 /nfs/dbraw/zinc/83/64/80/543836480.db2.gz MFNLMRRPNJOQOJ-UHFFFAOYSA-N 2 2 296.374 3.405 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436021 543845677 /nfs/dbraw/zinc/84/56/77/543845677.db2.gz MBKJKRRPZSWWGF-ZOBUZTSGSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000682436021 543845680 /nfs/dbraw/zinc/84/56/80/543845680.db2.gz MBKJKRRPZSWWGF-ZOBUZTSGSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682759660 543865342 /nfs/dbraw/zinc/86/53/42/543865342.db2.gz SFBUCOYLULCNOO-HNNXBMFYSA-N 2 2 279.428 3.115 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682759660 543865345 /nfs/dbraw/zinc/86/53/45/543865345.db2.gz SFBUCOYLULCNOO-HNNXBMFYSA-N 2 2 279.428 3.115 20 0 CGADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1C ZINC000131442100 287379946 /nfs/dbraw/zinc/37/99/46/287379946.db2.gz UMNAQJVFBYOXOO-UHFFFAOYSA-N 2 2 269.392 3.165 20 0 CGADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1C ZINC000131442100 287379947 /nfs/dbraw/zinc/37/99/47/287379947.db2.gz UMNAQJVFBYOXOO-UHFFFAOYSA-N 2 2 269.392 3.165 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](CCC3CCCC3)C2)cc[nH+]1 ZINC000131720789 287388055 /nfs/dbraw/zinc/38/80/55/287388055.db2.gz DNAREIQJPSMABY-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](CCC3CCCC3)C2)cc[nH+]1 ZINC000131720789 287388056 /nfs/dbraw/zinc/38/80/56/287388056.db2.gz DNAREIQJPSMABY-MRXNPFEDSA-N 2 2 260.381 3.115 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c[nH+]1 ZINC000684360414 543985073 /nfs/dbraw/zinc/98/50/73/543985073.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c[nH+]1 ZINC000684360414 543985074 /nfs/dbraw/zinc/98/50/74/543985074.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c[nH+]1 ZINC000684360414 543985076 /nfs/dbraw/zinc/98/50/76/543985076.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 3 2 289.467 3.129 20 0 CGADLP Cc1ccc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c[nH+]1 ZINC000684360414 543985078 /nfs/dbraw/zinc/98/50/78/543985078.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 3 2 289.467 3.129 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000684368005 543986181 /nfs/dbraw/zinc/98/61/81/543986181.db2.gz YGWMSDVSXMDJEP-KSZLIROESA-N 2 2 296.499 3.434 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000684372593 543987842 /nfs/dbraw/zinc/98/78/42/543987842.db2.gz QPFUXNULNLKIQK-ZIAGYGMSSA-N 2 2 287.407 3.043 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000685662260 544093285 /nfs/dbraw/zinc/09/32/85/544093285.db2.gz CJTDZLMGCORZDP-HRCADAONSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000685662260 544093286 /nfs/dbraw/zinc/09/32/86/544093286.db2.gz CJTDZLMGCORZDP-HRCADAONSA-N 2 2 281.403 3.193 20 0 CGADLP Cc1cccc(NCc2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000354893685 227211544 /nfs/dbraw/zinc/21/15/44/227211544.db2.gz MTPSZHKKAZDHDR-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652286116 418944582 /nfs/dbraw/zinc/94/45/82/418944582.db2.gz NKSCKUAGSYYYBU-HUUCEWRRSA-N 2 2 299.418 3.338 20 0 CGADLP CO[C@@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909016 419031340 /nfs/dbraw/zinc/03/13/40/419031340.db2.gz LISCRGCXANSVBH-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP CO[C@@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000659909016 419031341 /nfs/dbraw/zinc/03/13/41/419031341.db2.gz LISCRGCXANSVBH-ROUUACIJSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665252636 419093454 /nfs/dbraw/zinc/09/34/54/419093454.db2.gz VAODSDZISBOWLA-KFKAGJAMSA-N 2 2 295.430 3.186 20 0 CGADLP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254569 419094132 /nfs/dbraw/zinc/09/41/32/419094132.db2.gz UCWFAIYQJRQINF-NKKGCODLSA-N 2 2 276.399 3.049 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000653873865 419099688 /nfs/dbraw/zinc/09/96/88/419099688.db2.gz XBCPBHCWFOOTMM-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000653873865 419099690 /nfs/dbraw/zinc/09/96/90/419099690.db2.gz XBCPBHCWFOOTMM-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1ccccc1C(F)(F)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000665275829 419099752 /nfs/dbraw/zinc/09/97/52/419099752.db2.gz SQOUMZAFYBNOQU-HIFRSBDPSA-N 2 2 282.378 3.194 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)[C@@H]1CCCCO1 ZINC000653873274 419100082 /nfs/dbraw/zinc/10/00/82/419100082.db2.gz OCDQTLJSCNEAMA-IKGGRYGDSA-N 2 2 282.472 3.187 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)[C@@H]1CCCCO1 ZINC000653873274 419100086 /nfs/dbraw/zinc/10/00/86/419100086.db2.gz OCDQTLJSCNEAMA-IKGGRYGDSA-N 2 2 282.472 3.187 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278245 419100226 /nfs/dbraw/zinc/10/02/26/419100226.db2.gz ZEVDUTVLMFDIQB-WHDUELSGSA-N 2 2 296.389 3.257 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000660226214 419105282 /nfs/dbraw/zinc/10/52/82/419105282.db2.gz VKUHIUCKEMBCSF-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000660226214 419105285 /nfs/dbraw/zinc/10/52/85/419105285.db2.gz VKUHIUCKEMBCSF-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000660226214 419105288 /nfs/dbraw/zinc/10/52/88/419105288.db2.gz VKUHIUCKEMBCSF-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000660226214 419105291 /nfs/dbraw/zinc/10/52/91/419105291.db2.gz VKUHIUCKEMBCSF-WMZOPIPTSA-N 2 2 272.436 3.336 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000665294526 419109605 /nfs/dbraw/zinc/10/96/05/419109605.db2.gz QLDIBYGOOLIVFP-CABZTGNLSA-N 2 2 270.829 3.074 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000665298405 419110797 /nfs/dbraw/zinc/11/07/97/419110797.db2.gz VQKCBWLNSZRMMK-IINYFYTJSA-N 2 2 297.240 3.024 20 0 CGADLP COc1c(C)cccc1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000655833840 419112603 /nfs/dbraw/zinc/11/26/03/419112603.db2.gz VKXWUOBPKZYMGL-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC1(C)C ZINC000655849687 419120195 /nfs/dbraw/zinc/12/01/95/419120195.db2.gz YDGGKXITUMFGMR-GBJTYRQASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC1(C)C ZINC000655849687 419120197 /nfs/dbraw/zinc/12/01/97/419120197.db2.gz YDGGKXITUMFGMR-GBJTYRQASA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000655850220 419120390 /nfs/dbraw/zinc/12/03/90/419120390.db2.gz FNUXOVZMFMQCTL-BBWFWOEESA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000655850220 419120392 /nfs/dbraw/zinc/12/03/92/419120392.db2.gz FNUXOVZMFMQCTL-BBWFWOEESA-N 2 2 273.424 3.139 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2cn1 ZINC000655855977 419122483 /nfs/dbraw/zinc/12/24/83/419122483.db2.gz JYRZNMTYNGGRHE-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2cn1 ZINC000655855977 419122486 /nfs/dbraw/zinc/12/24/86/419122486.db2.gz JYRZNMTYNGGRHE-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655855636 419123153 /nfs/dbraw/zinc/12/31/53/419123153.db2.gz FQJOSUZTDDPOFU-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655855636 419123157 /nfs/dbraw/zinc/12/31/57/419123157.db2.gz FQJOSUZTDDPOFU-IAGOWNOFSA-N 2 2 258.409 3.102 20 0 CGADLP COc1c(C)cccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201353 419150136 /nfs/dbraw/zinc/15/01/36/419150136.db2.gz WHEKYHNKEOTOJA-DLBZAZTESA-N 2 2 282.387 3.238 20 0 CGADLP C1=C(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000660472246 419150569 /nfs/dbraw/zinc/15/05/69/419150569.db2.gz CPAFLROACSIDKI-SFHVURJKSA-N 2 2 292.467 3.064 20 0 CGADLP C1=C(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000660472246 419150571 /nfs/dbraw/zinc/15/05/71/419150571.db2.gz CPAFLROACSIDKI-SFHVURJKSA-N 2 2 292.467 3.064 20 0 CGADLP CCc1cc(NCCc2[nH+]cc(C)cc2C)nc(C)[nH+]1 ZINC000656211301 419152282 /nfs/dbraw/zinc/15/22/82/419152282.db2.gz VPNISDGXMAYBJG-UHFFFAOYSA-N 2 2 270.380 3.014 20 0 CGADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000656261644 419159957 /nfs/dbraw/zinc/15/99/57/419159957.db2.gz LTZUTKOFVVLXDK-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654115 419176854 /nfs/dbraw/zinc/17/68/54/419176854.db2.gz CZMNJLKGJRORLX-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654115 419176858 /nfs/dbraw/zinc/17/68/58/419176858.db2.gz CZMNJLKGJRORLX-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654115 419176861 /nfs/dbraw/zinc/17/68/61/419176861.db2.gz CZMNJLKGJRORLX-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654115 419176863 /nfs/dbraw/zinc/17/68/63/419176863.db2.gz CZMNJLKGJRORLX-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@H]1C[C@H]1C ZINC000666094268 419190009 /nfs/dbraw/zinc/19/00/09/419190009.db2.gz SOJNWGJAZCJKTD-JHNDHUHGSA-N 2 2 283.419 3.338 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126391 /nfs/dbraw/zinc/12/63/91/419126391.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126395 /nfs/dbraw/zinc/12/63/95/419126395.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126398 /nfs/dbraw/zinc/12/63/98/419126398.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660318024 419126403 /nfs/dbraw/zinc/12/64/03/419126403.db2.gz UTCJYXGXWHPWAZ-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(C)cc1 ZINC000657291378 419243958 /nfs/dbraw/zinc/24/39/58/419243958.db2.gz QZULHLQQZOPZAA-MRXNPFEDSA-N 2 2 269.392 3.379 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cc3ccccc3s1)CCC2 ZINC000657329709 419251966 /nfs/dbraw/zinc/25/19/66/419251966.db2.gz BKPBVVOVIIEANT-UHFFFAOYSA-N 2 2 283.400 3.334 20 0 CGADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657348484 419256620 /nfs/dbraw/zinc/25/66/20/419256620.db2.gz XQSSDELYRNEQLW-GPANFISMSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657348484 419256622 /nfs/dbraw/zinc/25/66/22/419256622.db2.gz XQSSDELYRNEQLW-GPANFISMSA-N 2 2 262.441 3.172 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657354586 419258180 /nfs/dbraw/zinc/25/81/80/419258180.db2.gz SEUREZSKWAVLNN-UHFFFAOYSA-N 2 2 263.429 3.380 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1(Sc3ccccc3)CC1)CCC2 ZINC000657357063 419258717 /nfs/dbraw/zinc/25/87/17/419258717.db2.gz VYGWRDSMKMWRMD-UHFFFAOYSA-N 2 2 299.443 3.244 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657364674 419260201 /nfs/dbraw/zinc/26/02/01/419260201.db2.gz YTTDPVRKVBANLK-INIZCTEOSA-N 2 2 284.407 3.020 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000656675826 419197718 /nfs/dbraw/zinc/19/77/18/419197718.db2.gz JESTVWCPDMZSQM-ABAIWWIYSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000656675826 419197721 /nfs/dbraw/zinc/19/77/21/419197721.db2.gz JESTVWCPDMZSQM-ABAIWWIYSA-N 2 2 294.389 3.415 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2F)o1)CC(C)(C)[NH3+] ZINC000656784165 419218149 /nfs/dbraw/zinc/21/81/49/419218149.db2.gz ZEYGSFIXICOMPO-UHFFFAOYSA-N 2 2 276.355 3.255 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2F)o1)CC(C)(C)[NH3+] ZINC000656784165 419218151 /nfs/dbraw/zinc/21/81/51/419218151.db2.gz ZEYGSFIXICOMPO-UHFFFAOYSA-N 2 2 276.355 3.255 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@H](c1ccccc1)C1CC1)CCC2 ZINC000657472846 419287098 /nfs/dbraw/zinc/28/70/98/419287098.db2.gz AUEQBCFUMMSOSC-QGZVFWFLSA-N 2 2 281.403 3.113 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525973 419297013 /nfs/dbraw/zinc/29/70/13/419297013.db2.gz ZAJTYWDRDYTQQG-OAHLLOKOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525973 419297015 /nfs/dbraw/zinc/29/70/15/419297015.db2.gz ZAJTYWDRDYTQQG-OAHLLOKOSA-N 2 2 260.425 3.266 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000657525820 419297238 /nfs/dbraw/zinc/29/72/38/419297238.db2.gz WVZCXTQFIQDBHA-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000657525820 419297240 /nfs/dbraw/zinc/29/72/40/419297240.db2.gz WVZCXTQFIQDBHA-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000657526574 419298268 /nfs/dbraw/zinc/29/82/68/419298268.db2.gz JHMYLRNJWCHZHB-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000657526574 419298271 /nfs/dbraw/zinc/29/82/71/419298271.db2.gz JHMYLRNJWCHZHB-AWEZNQCLSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000657614071 419314468 /nfs/dbraw/zinc/31/44/68/419314468.db2.gz DOUJEESVEZZQBV-KRWDZBQOSA-N 2 2 287.382 3.455 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644909 419318027 /nfs/dbraw/zinc/31/80/27/419318027.db2.gz GOBNICZLYXGZRL-HOCLYGCPSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000657644909 419318029 /nfs/dbraw/zinc/31/80/29/419318029.db2.gz GOBNICZLYXGZRL-HOCLYGCPSA-N 2 2 278.415 3.235 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc21 ZINC000657403016 419270830 /nfs/dbraw/zinc/27/08/30/419270830.db2.gz OJUUGTFYDXAEDH-MRXNPFEDSA-N 2 2 281.403 3.342 20 0 CGADLP C[C@@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(F)F ZINC000657670545 419326131 /nfs/dbraw/zinc/32/61/31/419326131.db2.gz GOVKBBWPFWUJIX-OAHLLOKOSA-N 2 2 291.345 3.397 20 0 CGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CC1 ZINC000657690403 419328350 /nfs/dbraw/zinc/32/83/50/419328350.db2.gz UXKLRWOCUDHAEZ-MRXNPFEDSA-N 2 2 257.381 3.311 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000657741052 419335100 /nfs/dbraw/zinc/33/51/00/419335100.db2.gz ATJKZPMBHDAKIF-RDFMZFSFSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000657741052 419335101 /nfs/dbraw/zinc/33/51/01/419335101.db2.gz ATJKZPMBHDAKIF-RDFMZFSFSA-N 2 2 280.362 3.052 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C(C)C)C3CC3)c[nH+]c12 ZINC000657756301 419338543 /nfs/dbraw/zinc/33/85/43/419338543.db2.gz QSZPPSMKNAEVBT-HNNXBMFYSA-N 2 2 257.381 3.167 20 0 CGADLP CCCCC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000662156310 419344625 /nfs/dbraw/zinc/34/46/25/419344625.db2.gz QKNJFBGSHOGRKO-OAHLLOKOSA-N 2 2 263.429 3.397 20 0 CGADLP CCCCC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000662156310 419344630 /nfs/dbraw/zinc/34/46/30/419344630.db2.gz QKNJFBGSHOGRKO-OAHLLOKOSA-N 2 2 263.429 3.397 20 0 CGADLP CC1(C)C[C@]1([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000662342465 419398660 /nfs/dbraw/zinc/39/86/60/419398660.db2.gz FHTXUKNUDKVENJ-KRWDZBQOSA-N 2 2 269.392 3.188 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@H+](C)Cc1ccccc1 ZINC000657878281 419399986 /nfs/dbraw/zinc/39/99/86/419399986.db2.gz FZLZECNTGYPDOG-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000657878281 419399989 /nfs/dbraw/zinc/39/99/89/419399989.db2.gz FZLZECNTGYPDOG-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657832728 419376512 /nfs/dbraw/zinc/37/65/12/419376512.db2.gz ACOXPIQKXKRMPY-IUDNXUCKSA-N 2 2 261.413 3.220 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657831535 419376872 /nfs/dbraw/zinc/37/68/72/419376872.db2.gz AGVPOQMOJKASQB-VXGBXAGGSA-N 2 2 264.404 3.232 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000657837833 419382242 /nfs/dbraw/zinc/38/22/42/419382242.db2.gz KHQNKFCZECMDHK-NJZAAPMLSA-N 2 2 295.377 3.297 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000657837833 419382246 /nfs/dbraw/zinc/38/22/46/419382246.db2.gz KHQNKFCZECMDHK-NJZAAPMLSA-N 2 2 295.377 3.297 20 0 CGADLP C[N@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)[NH3+] ZINC000662295986 419384102 /nfs/dbraw/zinc/38/41/02/419384102.db2.gz OUAACVBAPYAQDL-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[N@@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)[NH3+] ZINC000662295986 419384107 /nfs/dbraw/zinc/38/41/07/419384107.db2.gz OUAACVBAPYAQDL-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP Cc1ncccc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185674462 287552605 /nfs/dbraw/zinc/55/26/05/287552605.db2.gz FUHPBHDFFZEAFN-CRAIPNDOSA-N 2 2 283.419 3.171 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657900170 419422229 /nfs/dbraw/zinc/42/22/29/419422229.db2.gz NHFXAKOMBJEMBT-CHWSQXEVSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc2ccncc2s1 ZINC000657900170 419422241 /nfs/dbraw/zinc/42/22/41/419422241.db2.gz NHFXAKOMBJEMBT-CHWSQXEVSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657941399 419454447 /nfs/dbraw/zinc/45/44/47/419454447.db2.gz VERLHVPGLAEYQH-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657941399 419454455 /nfs/dbraw/zinc/45/44/55/419454455.db2.gz VERLHVPGLAEYQH-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058379 419526656 /nfs/dbraw/zinc/52/66/56/419526656.db2.gz SCHOOXQFUZZDJQ-HOTGVXAUSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058379 419526665 /nfs/dbraw/zinc/52/66/65/419526665.db2.gz SCHOOXQFUZZDJQ-HOTGVXAUSA-N 2 2 275.440 3.241 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000658059477 419532789 /nfs/dbraw/zinc/53/27/89/419532789.db2.gz JPEAFJOODNALSN-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000658059477 419532797 /nfs/dbraw/zinc/53/27/97/419532797.db2.gz JPEAFJOODNALSN-WCXIOVBPSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000658077960 419548220 /nfs/dbraw/zinc/54/82/20/419548220.db2.gz SJAYBPDTTWSEJL-XYPHTWIQSA-N 2 2 290.426 3.362 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000658077960 419548231 /nfs/dbraw/zinc/54/82/31/419548231.db2.gz SJAYBPDTTWSEJL-XYPHTWIQSA-N 2 2 290.426 3.362 20 0 CGADLP COCC1([NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000663337383 419564185 /nfs/dbraw/zinc/56/41/85/419564185.db2.gz VXYGAJLZCLIAEE-UHFFFAOYSA-N 2 2 287.407 3.082 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096043 419573876 /nfs/dbraw/zinc/57/38/76/419573876.db2.gz NGOLVPLFYOQYPF-NVXWUHKLSA-N 2 2 289.467 3.255 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096043 419573885 /nfs/dbraw/zinc/57/38/85/419573885.db2.gz NGOLVPLFYOQYPF-NVXWUHKLSA-N 2 2 289.467 3.255 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095557 419574784 /nfs/dbraw/zinc/57/47/84/419574784.db2.gz JACYLLAWYNWYOW-KGLIPLIRSA-N 2 2 297.446 3.098 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000658095557 419574790 /nfs/dbraw/zinc/57/47/90/419574790.db2.gz JACYLLAWYNWYOW-KGLIPLIRSA-N 2 2 297.446 3.098 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000663506365 419642213 /nfs/dbraw/zinc/64/22/13/419642213.db2.gz DOXVSHBLBDBENV-LLVKDONJSA-N 2 2 294.345 3.139 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000658287949 419739021 /nfs/dbraw/zinc/73/90/21/419739021.db2.gz PFVMRKVNRDFDEU-PBHICJAKSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000658287949 419739029 /nfs/dbraw/zinc/73/90/29/419739029.db2.gz PFVMRKVNRDFDEU-PBHICJAKSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCCC1 ZINC000658293356 419740993 /nfs/dbraw/zinc/74/09/93/419740993.db2.gz FZEGFTBXDAMYJR-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCCC1 ZINC000658293355 419742240 /nfs/dbraw/zinc/74/22/40/419742240.db2.gz FZEGFTBXDAMYJR-MAUKXSAKSA-N 2 2 294.483 3.188 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294575 419742374 /nfs/dbraw/zinc/74/23/74/419742374.db2.gz NRKXPJYZCAIXAM-BHYGNILZSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cc(OCCc2c[nH+]cn2C)c2cccc(C)c2[nH+]1 ZINC000664001535 419793434 /nfs/dbraw/zinc/79/34/34/419793434.db2.gz OHBVCCZMKXAKPC-UHFFFAOYSA-N 2 2 281.359 3.207 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000019988669 262183903 /nfs/dbraw/zinc/18/39/03/262183903.db2.gz PENRPIJZWGZOBN-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000019988669 262183904 /nfs/dbraw/zinc/18/39/04/262183904.db2.gz PENRPIJZWGZOBN-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP COc1ccc2cc(C[NH2+]CC[N@@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000525800678 262359279 /nfs/dbraw/zinc/35/92/79/262359279.db2.gz HAWKAYVPTLAZTQ-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP COc1ccc2cc(C[NH2+]CC[N@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000525800678 262359280 /nfs/dbraw/zinc/35/92/80/262359280.db2.gz HAWKAYVPTLAZTQ-OAHLLOKOSA-N 2 2 298.430 3.280 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154011 270028865 /nfs/dbraw/zinc/02/88/65/270028865.db2.gz RNWVGSURSKDOKM-SJORKVTESA-N 2 2 274.452 3.472 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000042307954 270032216 /nfs/dbraw/zinc/03/22/16/270032216.db2.gz ZVVWSYVDRIMFRP-KRWDZBQOSA-N 2 2 258.409 3.140 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685326 270037468 /nfs/dbraw/zinc/03/74/68/270037468.db2.gz RQHWAOWWISFSAI-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685326 270037469 /nfs/dbraw/zinc/03/74/69/270037469.db2.gz RQHWAOWWISFSAI-MRXNPFEDSA-N 2 2 288.435 3.192 20 0 CGADLP CCC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000191829566 270076413 /nfs/dbraw/zinc/07/64/13/270076413.db2.gz HHXCHPGTDGINSR-UHFFFAOYSA-N 2 2 280.378 3.429 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000223235135 270086546 /nfs/dbraw/zinc/08/65/46/270086546.db2.gz XBTVIJATDKIBCD-HZPDHXFCSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000223235135 270086547 /nfs/dbraw/zinc/08/65/47/270086547.db2.gz XBTVIJATDKIBCD-HZPDHXFCSA-N 2 2 274.452 3.388 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000250200582 270091285 /nfs/dbraw/zinc/09/12/85/270091285.db2.gz BINOTKPFSCGMBM-NVXWUHKLSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000250200582 270091286 /nfs/dbraw/zinc/09/12/86/270091286.db2.gz BINOTKPFSCGMBM-NVXWUHKLSA-N 2 2 260.425 3.438 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000315800055 270092671 /nfs/dbraw/zinc/09/26/71/270092671.db2.gz BYBRIHYGMSUWKX-QGZVFWFLSA-N 2 2 294.402 3.422 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000524771435 270114904 /nfs/dbraw/zinc/11/49/04/270114904.db2.gz MSTXNMSQNABYDP-XYGUXCPDSA-N 2 2 258.409 3.021 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000524771435 270114905 /nfs/dbraw/zinc/11/49/05/270114905.db2.gz MSTXNMSQNABYDP-XYGUXCPDSA-N 2 2 258.409 3.021 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccncc2Cl)C1 ZINC000527638595 270130431 /nfs/dbraw/zinc/13/04/31/270130431.db2.gz LODRDOHJXLQHLN-ZIAGYGMSSA-N 2 2 295.858 3.193 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527806916 270137065 /nfs/dbraw/zinc/13/70/65/270137065.db2.gz GGSDHNLYOCAHDX-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527806916 270137066 /nfs/dbraw/zinc/13/70/66/270137066.db2.gz GGSDHNLYOCAHDX-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527807674 270137689 /nfs/dbraw/zinc/13/76/89/270137689.db2.gz HRBVMSIIKBLUEA-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527807674 270137690 /nfs/dbraw/zinc/13/76/90/270137690.db2.gz HRBVMSIIKBLUEA-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808792 270137737 /nfs/dbraw/zinc/13/77/37/270137737.db2.gz LNWMAGULXCKSOM-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808792 270137738 /nfs/dbraw/zinc/13/77/38/270137738.db2.gz LNWMAGULXCKSOM-INIZCTEOSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529642339 270186780 /nfs/dbraw/zinc/18/67/80/270186780.db2.gz VCFOVQNXALIBBU-IWCQGFGOSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529642339 270186781 /nfs/dbraw/zinc/18/67/81/270186781.db2.gz VCFOVQNXALIBBU-IWCQGFGOSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(Cc3ccco3)C2)c[nH+]1 ZINC000529648397 270187160 /nfs/dbraw/zinc/18/71/60/270187160.db2.gz BKGAVGDYVWCXHO-UHFFFAOYSA-N 2 2 270.376 3.090 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1 ZINC000530225909 270196485 /nfs/dbraw/zinc/19/64/85/270196485.db2.gz XZNBMBDGVHUFLC-CVEARBPZSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219783 270196021 /nfs/dbraw/zinc/19/60/21/270196021.db2.gz MWXZLZVHHCSSEG-DQYPLSBCSA-N 2 2 288.410 3.323 20 0 CGADLP CCC[C@@H](C)[C@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684602 270208441 /nfs/dbraw/zinc/20/84/41/270208441.db2.gz KSLNLUBZNOOHEM-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C(C)C ZINC000531685624 270208466 /nfs/dbraw/zinc/20/84/66/270208466.db2.gz BTXGNOIIRFFSBY-OAHLLOKOSA-N 2 2 284.513 3.372 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531951332 270211261 /nfs/dbraw/zinc/21/12/61/270211261.db2.gz FINYYCFYROZKHG-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531951332 270211262 /nfs/dbraw/zinc/21/12/62/270211262.db2.gz FINYYCFYROZKHG-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000532213819 270214334 /nfs/dbraw/zinc/21/43/34/270214334.db2.gz KROCMTBXENUYAI-AAEUAGOBSA-N 2 2 294.826 3.236 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000532213819 270214335 /nfs/dbraw/zinc/21/43/35/270214335.db2.gz KROCMTBXENUYAI-AAEUAGOBSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530307 270216886 /nfs/dbraw/zinc/21/68/86/270216886.db2.gz XEMSKBZEXZWHEG-HOTGVXAUSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000532530307 270216887 /nfs/dbraw/zinc/21/68/87/270216887.db2.gz XEMSKBZEXZWHEG-HOTGVXAUSA-N 2 2 274.452 3.284 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532531785 270217096 /nfs/dbraw/zinc/21/70/96/270217096.db2.gz IKTLERPTSFYIGE-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532531785 270217097 /nfs/dbraw/zinc/21/70/97/270217097.db2.gz IKTLERPTSFYIGE-LSDHHAIUSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532531782 270217156 /nfs/dbraw/zinc/21/71/56/270217156.db2.gz IKTLERPTSFYIGE-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532531782 270217157 /nfs/dbraw/zinc/21/71/57/270217157.db2.gz IKTLERPTSFYIGE-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCC2 ZINC000533166822 270221958 /nfs/dbraw/zinc/22/19/58/270221958.db2.gz DVBAICQOZRNVSA-YJBOKZPZSA-N 2 2 272.436 3.304 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCC2 ZINC000533166822 270221959 /nfs/dbraw/zinc/22/19/59/270221959.db2.gz DVBAICQOZRNVSA-YJBOKZPZSA-N 2 2 272.436 3.304 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423564745 273589629 /nfs/dbraw/zinc/58/96/29/273589629.db2.gz SCUXLBGKSLOZBV-BBRMVZONSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000423123787 274263665 /nfs/dbraw/zinc/26/36/65/274263665.db2.gz NIVDVTJPNMUIOT-IEBDPFPHSA-N 2 2 270.829 3.119 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281642 274344296 /nfs/dbraw/zinc/34/42/96/274344296.db2.gz HJQREJFBGZBOMR-GFOCRRMGSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000436281642 274344300 /nfs/dbraw/zinc/34/43/00/274344300.db2.gz HJQREJFBGZBOMR-GFOCRRMGSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240904 274760557 /nfs/dbraw/zinc/76/05/57/274760557.db2.gz UHNWXYXULYRZNO-RBUKOAKNSA-N 2 2 280.415 3.426 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423236334 274880323 /nfs/dbraw/zinc/88/03/23/274880323.db2.gz ODNHDIAXDWCKIQ-QMTHXVAHSA-N 2 2 285.218 3.322 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)[NH+](C)C ZINC000251079592 287831821 /nfs/dbraw/zinc/83/18/21/287831821.db2.gz HHIWWBBYAUXSTR-PVAVHDDUSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000252956326 275745286 /nfs/dbraw/zinc/74/52/86/275745286.db2.gz JOKTYXDLGRWPRJ-RKVPGOIHSA-N 2 2 290.451 3.228 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000423395502 275816054 /nfs/dbraw/zinc/81/60/54/275816054.db2.gz STUVXEPQUXWBQI-UKRRQHHQSA-N 2 2 262.397 3.025 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411590 276144172 /nfs/dbraw/zinc/14/41/72/276144172.db2.gz ASSUDUBDHHEOIR-YJBOKZPZSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411590 276144173 /nfs/dbraw/zinc/14/41/73/276144173.db2.gz ASSUDUBDHHEOIR-YJBOKZPZSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411590 276144174 /nfs/dbraw/zinc/14/41/74/276144174.db2.gz ASSUDUBDHHEOIR-YJBOKZPZSA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371411590 276144175 /nfs/dbraw/zinc/14/41/75/276144175.db2.gz ASSUDUBDHHEOIR-YJBOKZPZSA-N 2 2 298.434 3.067 20 0 CGADLP CCCC1CCC(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000356292479 276225860 /nfs/dbraw/zinc/22/58/60/276225860.db2.gz KDDYRTOACBTZIB-UHFFFAOYSA-N 2 2 261.413 3.305 20 0 CGADLP CCCC1CCC(C[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000356292479 276225861 /nfs/dbraw/zinc/22/58/61/276225861.db2.gz KDDYRTOACBTZIB-UHFFFAOYSA-N 2 2 261.413 3.305 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000503923444 276243412 /nfs/dbraw/zinc/24/34/12/276243412.db2.gz CXFFVKBTWKMXIC-UMVBOHGHSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2SC)C1 ZINC000503923444 276243414 /nfs/dbraw/zinc/24/34/14/276243414.db2.gz CXFFVKBTWKMXIC-UMVBOHGHSA-N 2 2 278.465 3.399 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000355127864 276462740 /nfs/dbraw/zinc/46/27/40/276462740.db2.gz WNQGRJVJTWASLW-NVXWUHKLSA-N 2 2 296.499 3.434 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2c(C)cc(Cl)cc2C)CC1 ZINC000336056269 277263286 /nfs/dbraw/zinc/26/32/86/277263286.db2.gz ANZRZIIAFVIAOK-UHFFFAOYSA-N 2 2 266.816 3.141 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400342493 277702310 /nfs/dbraw/zinc/70/23/10/277702310.db2.gz HCTDMYQPVQXUCQ-ZQIUZPCESA-N 2 2 276.424 3.265 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000359655288 278168847 /nfs/dbraw/zinc/16/88/47/278168847.db2.gz XWYMZPQBNLLPME-WOPDTQHZSA-N 2 2 278.362 3.322 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000359655288 278168849 /nfs/dbraw/zinc/16/88/49/278168849.db2.gz XWYMZPQBNLLPME-WOPDTQHZSA-N 2 2 278.362 3.322 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423366254 278177472 /nfs/dbraw/zinc/17/74/72/278177472.db2.gz QBUQJUYCFZAXAE-OBJOEFQTSA-N 2 2 264.438 3.057 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000447581686 278215556 /nfs/dbraw/zinc/21/55/56/278215556.db2.gz UUNAIMWBZWLMSI-HNNXBMFYSA-N 2 2 264.457 3.421 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000447581686 278215558 /nfs/dbraw/zinc/21/55/58/278215558.db2.gz UUNAIMWBZWLMSI-HNNXBMFYSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423076187 278217221 /nfs/dbraw/zinc/21/72/21/278217221.db2.gz YKBLQUQXVVBVEY-NVXWUHKLSA-N 2 2 294.483 3.236 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000133176181 278282506 /nfs/dbraw/zinc/28/25/06/278282506.db2.gz ZKGQXYMNJDFLPR-GOEBONIOSA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000397815093 288031414 /nfs/dbraw/zinc/03/14/14/288031414.db2.gz ZVMHLEGVDYNCGV-CQSZACIVSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cc(F)ccc1F ZINC000423266022 288063239 /nfs/dbraw/zinc/06/32/39/288063239.db2.gz ROURLNHDRABSDO-DOMZBBRYSA-N 2 2 270.367 3.379 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423301972 278724593 /nfs/dbraw/zinc/72/45/93/278724593.db2.gz UVCJPRXSLFPMFQ-RYUDHWBXSA-N 2 2 281.469 3.190 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000449195687 288072997 /nfs/dbraw/zinc/07/29/97/288072997.db2.gz RHANLKNAFJUPED-UHOFOFEASA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000449195687 288073000 /nfs/dbraw/zinc/07/30/00/288073000.db2.gz RHANLKNAFJUPED-UHOFOFEASA-N 2 2 250.430 3.028 20 0 CGADLP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)C1(C)C ZINC000451512686 288073957 /nfs/dbraw/zinc/07/39/57/288073957.db2.gz XQWSVGPUSNYMQQ-IAGOWNOFSA-N 2 2 299.418 3.084 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000423328433 288077351 /nfs/dbraw/zinc/07/73/51/288077351.db2.gz OBKCRWSYEOBMAM-PELKAZGASA-N 2 2 261.196 3.381 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccsc1 ZINC000453191401 288088318 /nfs/dbraw/zinc/08/83/18/288088318.db2.gz IAMYCDZOLUDPFZ-UBHSHLNASA-N 2 2 252.427 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccsc1 ZINC000453191401 288088321 /nfs/dbraw/zinc/08/83/21/288088321.db2.gz IAMYCDZOLUDPFZ-UBHSHLNASA-N 2 2 252.427 3.272 20 0 CGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459488469 288094338 /nfs/dbraw/zinc/09/43/38/288094338.db2.gz OMEAIJOLGLLCRE-TUAOUCFPSA-N 2 2 289.345 3.014 20 0 CGADLP C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459488469 288094340 /nfs/dbraw/zinc/09/43/40/288094340.db2.gz OMEAIJOLGLLCRE-TUAOUCFPSA-N 2 2 289.345 3.014 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346798592 279126067 /nfs/dbraw/zinc/12/60/67/279126067.db2.gz PRVAUUHHNKRBIQ-CSMYWGQOSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CCC[N@H+]1C ZINC000346798592 279126070 /nfs/dbraw/zinc/12/60/70/279126070.db2.gz PRVAUUHHNKRBIQ-CSMYWGQOSA-N 2 2 276.399 3.275 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C(C)(C)OC)c1ccccc1 ZINC000314370691 279147801 /nfs/dbraw/zinc/14/78/01/279147801.db2.gz MITXOBDGKZHEKA-WBVHZDCISA-N 2 2 292.467 3.473 20 0 CGADLP CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000340245066 279239469 /nfs/dbraw/zinc/23/94/69/279239469.db2.gz NKCXCXSCSMPWEC-ROUUACIJSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H]1CCCC[NH+]1C(C)C ZINC000340245066 279239471 /nfs/dbraw/zinc/23/94/71/279239471.db2.gz NKCXCXSCSMPWEC-ROUUACIJSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[NH+]1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000340245066 279239475 /nfs/dbraw/zinc/23/94/75/279239475.db2.gz NKCXCXSCSMPWEC-ROUUACIJSA-N 2 2 296.499 3.122 20 0 CGADLP CC(C)C[C@]1(CO)CCC[NH+]1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340245066 279239478 /nfs/dbraw/zinc/23/94/78/279239478.db2.gz NKCXCXSCSMPWEC-ROUUACIJSA-N 2 2 296.499 3.122 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000474818515 279351474 /nfs/dbraw/zinc/35/14/74/279351474.db2.gz MGTWRRJDKSOXCL-BRWVUGGUSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212246 279382034 /nfs/dbraw/zinc/38/20/34/279382034.db2.gz HFCDMVZYMUZSJG-ZBFHGGJFSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212246 279382036 /nfs/dbraw/zinc/38/20/36/279382036.db2.gz HFCDMVZYMUZSJG-ZBFHGGJFSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289362217 279388596 /nfs/dbraw/zinc/38/85/96/279388596.db2.gz ZJDLIJIUYNQKPO-XJKCOSOUSA-N 2 2 255.365 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000423407298 279507395 /nfs/dbraw/zinc/50/73/95/279507395.db2.gz ZSYZJOQZFOIIGJ-DJLDLDEBSA-N 2 2 293.358 3.082 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCC[C@H]1C ZINC000449258440 279550332 /nfs/dbraw/zinc/55/03/32/279550332.db2.gz MWVLAYSWWGJRCC-QPSCCSFWSA-N 2 2 261.413 3.002 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2ccnc(C)c2)[NH+](C)C)cc1 ZINC000527648469 288181611 /nfs/dbraw/zinc/18/16/11/288181611.db2.gz FUZLFZAFGDLLJF-SFHVURJKSA-N 2 2 283.419 3.091 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)CCC2 ZINC000527665692 288185703 /nfs/dbraw/zinc/18/57/03/288185703.db2.gz HUYKBVPXUKGCRY-OEAJRASXSA-N 2 2 273.424 3.093 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423461652 280166594 /nfs/dbraw/zinc/16/65/94/280166594.db2.gz JZZFNKRGVKJSJA-NGZCFLSTSA-N 2 2 256.440 3.000 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423163194 280195353 /nfs/dbraw/zinc/19/53/53/280195353.db2.gz VESJCFPPDSNXQF-MXASKKJJSA-N 2 2 288.435 3.409 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CCCC2)o1 ZINC000342542092 280949818 /nfs/dbraw/zinc/94/98/18/280949818.db2.gz NVAQOAPUZVIMMY-INIZCTEOSA-N 2 2 273.380 3.306 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)[nH+]c2c1 ZINC000488712455 281042246 /nfs/dbraw/zinc/04/22/46/281042246.db2.gz JVGWKRNHJQJGCZ-LJQANCHMSA-N 2 2 295.430 3.384 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@]4(CC[N@H+](C)C4)C3)[nH+]c2c1 ZINC000488712455 281042252 /nfs/dbraw/zinc/04/22/52/281042252.db2.gz JVGWKRNHJQJGCZ-LJQANCHMSA-N 2 2 295.430 3.384 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000530180020 288296893 /nfs/dbraw/zinc/29/68/93/288296893.db2.gz ZXHBAMZEWCGRNI-ZDUSSCGKSA-N 2 2 278.465 3.420 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)CCC2 ZINC000353512485 281552865 /nfs/dbraw/zinc/55/28/65/281552865.db2.gz CWQPKZNUSXHKEH-ILXRZTDVSA-N 2 2 279.403 3.187 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000531703365 288341045 /nfs/dbraw/zinc/34/10/45/288341045.db2.gz OPDZXEONOOTOMS-FUHWJXTLSA-N 2 2 270.420 3.354 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000531703365 288341047 /nfs/dbraw/zinc/34/10/47/288341047.db2.gz OPDZXEONOOTOMS-FUHWJXTLSA-N 2 2 270.420 3.354 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000531728356 288343644 /nfs/dbraw/zinc/34/36/44/288343644.db2.gz SZXLSCYNTFTCSY-XJKSGUPXSA-N 2 2 264.388 3.208 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000531728356 288343647 /nfs/dbraw/zinc/34/36/47/288343647.db2.gz SZXLSCYNTFTCSY-XJKSGUPXSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000532239700 288357667 /nfs/dbraw/zinc/35/76/67/288357667.db2.gz KRDSXPQVYUIMDK-ZFWWWQNUSA-N 2 2 276.449 3.155 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000532239700 288357668 /nfs/dbraw/zinc/35/76/68/288357668.db2.gz KRDSXPQVYUIMDK-ZFWWWQNUSA-N 2 2 276.449 3.155 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532540724 288366355 /nfs/dbraw/zinc/36/63/55/288366355.db2.gz XVLHIUZCRUACFT-IJEWVQPXSA-N 2 2 250.430 3.194 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532540724 288366357 /nfs/dbraw/zinc/36/63/57/288366357.db2.gz XVLHIUZCRUACFT-IJEWVQPXSA-N 2 2 250.430 3.194 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCCC(C)(C)C1)Cn1cc[nH+]c1 ZINC000532785604 288368779 /nfs/dbraw/zinc/36/87/79/288368779.db2.gz WTRKXEZOYPBGLZ-CABCVRRESA-N 2 2 263.429 3.325 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000345823497 288607244 /nfs/dbraw/zinc/60/72/44/288607244.db2.gz JIMFKOOMUBCAHW-CQSZACIVSA-N 2 2 276.424 3.106 20 0 CGADLP Cc1ccccc1C(C)(C)[NH2+]CC[NH+]1CCCCC1 ZINC000549868519 289057621 /nfs/dbraw/zinc/05/76/21/289057621.db2.gz XMQLMICYEXMWKI-UHFFFAOYSA-N 2 2 260.425 3.306 20 0 CGADLP CC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069988 289098065 /nfs/dbraw/zinc/09/80/65/289098065.db2.gz PPTBEXWLTZUVOA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069988 289098066 /nfs/dbraw/zinc/09/80/66/289098066.db2.gz PPTBEXWLTZUVOA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000551069988 289098068 /nfs/dbraw/zinc/09/80/68/289098068.db2.gz PPTBEXWLTZUVOA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000551069988 289098069 /nfs/dbraw/zinc/09/80/69/289098069.db2.gz PPTBEXWLTZUVOA-CVEARBPZSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551818481 289135979 /nfs/dbraw/zinc/13/59/79/289135979.db2.gz QVQUJYBCBWJTFE-KPZWWZAWSA-N 2 2 299.393 3.382 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000554362462 289275327 /nfs/dbraw/zinc/27/53/27/289275327.db2.gz UKFGBWZGGZATNP-FGTMMUONSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000554362462 289275329 /nfs/dbraw/zinc/27/53/29/289275329.db2.gz UKFGBWZGGZATNP-FGTMMUONSA-N 2 2 272.436 3.429 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC000554496213 289285945 /nfs/dbraw/zinc/28/59/45/289285945.db2.gz FCAFPRJTEWPCDD-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cn2)CC1 ZINC000554496213 289285946 /nfs/dbraw/zinc/28/59/46/289285946.db2.gz FCAFPRJTEWPCDD-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 ZINC000556586817 289399279 /nfs/dbraw/zinc/39/92/79/289399279.db2.gz OIZRUOYVQJFZBZ-QGZVFWFLSA-N 2 2 274.452 3.246 20 0 CGADLP COC[C@@H](C)[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000348706741 292777988 /nfs/dbraw/zinc/77/79/88/292777988.db2.gz USISYSLQRZIINJ-CRAIPNDOSA-N 2 2 292.467 3.112 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338775600 290006755 /nfs/dbraw/zinc/00/67/55/290006755.db2.gz GGQRLNWDDKWKNB-KVDVXYDOSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338775600 290006756 /nfs/dbraw/zinc/00/67/56/290006756.db2.gz GGQRLNWDDKWKNB-KVDVXYDOSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000422844272 290023908 /nfs/dbraw/zinc/02/39/08/290023908.db2.gz LJFAHCGHNKCASM-TUKIKUTGSA-N 2 2 294.439 3.483 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176519 290233292 /nfs/dbraw/zinc/23/32/92/290233292.db2.gz JUHYADZFHKNQGF-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246176519 290233295 /nfs/dbraw/zinc/23/32/95/290233295.db2.gz JUHYADZFHKNQGF-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000344010025 293093973 /nfs/dbraw/zinc/09/39/73/293093973.db2.gz ZXOMEDBVKVKHPL-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@H](CC(C)C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000344010025 293093974 /nfs/dbraw/zinc/09/39/74/293093974.db2.gz ZXOMEDBVKVKHPL-AEFFLSMTSA-N 2 2 292.467 3.158 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888678 294130927 /nfs/dbraw/zinc/13/09/27/294130927.db2.gz ADMBYKIMOLQVLG-SJORKVTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450888678 294130931 /nfs/dbraw/zinc/13/09/31/294130931.db2.gz ADMBYKIMOLQVLG-SJORKVTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450888678 294130935 /nfs/dbraw/zinc/13/09/35/294130935.db2.gz ADMBYKIMOLQVLG-SJORKVTESA-N 2 2 282.472 3.140 20 0 CGADLP CO[C@@]1(C)CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450888678 294130937 /nfs/dbraw/zinc/13/09/37/294130937.db2.gz ADMBYKIMOLQVLG-SJORKVTESA-N 2 2 282.472 3.140 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c2ccccc2)cc1 ZINC000423442326 295245813 /nfs/dbraw/zinc/24/58/13/295245813.db2.gz JWKDDURZAOSVMN-SUNYJGFJSA-N 2 2 284.403 3.110 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CC1)CCCO2 ZINC000417357308 301211559 /nfs/dbraw/zinc/21/15/59/301211559.db2.gz RDTFYNLJMAVETJ-MRXNPFEDSA-N 2 2 288.435 3.201 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423233720 301283977 /nfs/dbraw/zinc/28/39/77/301283977.db2.gz KLFMOTNWBXAPGK-DOMZBBRYSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423178586 301284767 /nfs/dbraw/zinc/28/47/67/301284767.db2.gz CBKNVZFAWZEJIB-DOMZBBRYSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352724418 302180431 /nfs/dbraw/zinc/18/04/31/302180431.db2.gz QOAJYTVAKVPOMN-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352724418 302180434 /nfs/dbraw/zinc/18/04/34/302180434.db2.gz QOAJYTVAKVPOMN-JKIFEVAISA-N 2 2 258.409 3.128 20 0 CGADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCC1 ZINC000423342600 303359799 /nfs/dbraw/zinc/35/97/99/303359799.db2.gz YZHZSANWXOGZPD-ZDUSSCGKSA-N 2 2 280.799 3.025 20 0 CGADLP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000262973628 303381640 /nfs/dbraw/zinc/38/16/40/303381640.db2.gz LZTMXULKXCVRBL-CQSZACIVSA-N 2 2 252.789 3.216 20 0 CGADLP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000262973628 303381642 /nfs/dbraw/zinc/38/16/42/303381642.db2.gz LZTMXULKXCVRBL-CQSZACIVSA-N 2 2 252.789 3.216 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)c[nH+]1 ZINC000403165936 321969818 /nfs/dbraw/zinc/96/98/18/321969818.db2.gz BJKVUYOLEMLIFF-ZACQAIPSSA-N 2 2 281.403 3.398 20 0 CGADLP CCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1Cl ZINC000565236489 322068956 /nfs/dbraw/zinc/06/89/56/322068956.db2.gz AXMBRIGFPXDOST-UHFFFAOYSA-N 2 2 293.798 3.070 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000566711631 322135372 /nfs/dbraw/zinc/13/53/72/322135372.db2.gz QADNPFWTGDCRNM-ZDUSSCGKSA-N 2 2 294.402 3.225 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566797908 322138453 /nfs/dbraw/zinc/13/84/53/322138453.db2.gz QMBFQVUBDVLZPF-SJORKVTESA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566797908 322138455 /nfs/dbraw/zinc/13/84/55/322138455.db2.gz QMBFQVUBDVLZPF-SJORKVTESA-N 2 2 294.389 3.491 20 0 CGADLP CC(C)[NH2+]CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000566908970 322142883 /nfs/dbraw/zinc/14/28/83/322142883.db2.gz QWULFUBVNYJFSF-OAHLLOKOSA-N 2 2 278.444 3.009 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCCCCn1cc[nH+]c1 ZINC000567750340 322175985 /nfs/dbraw/zinc/17/59/85/322175985.db2.gz RVBCBJCOEYOETF-UHFFFAOYSA-N 2 2 280.375 3.054 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000567916358 322183232 /nfs/dbraw/zinc/18/32/32/322183232.db2.gz SHHDFSSLDQHQIT-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000567916358 322183233 /nfs/dbraw/zinc/18/32/33/322183233.db2.gz SHHDFSSLDQHQIT-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cc2OC(C)C)n1C ZINC000568648063 322217257 /nfs/dbraw/zinc/21/72/57/322217257.db2.gz BWYJBHJPKUQNEI-UHFFFAOYSA-N 2 2 287.407 3.114 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000570236818 322268375 /nfs/dbraw/zinc/26/83/75/322268375.db2.gz LBLCKUVBSJILOX-HZSPNIEDSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000570236818 322268377 /nfs/dbraw/zinc/26/83/77/322268377.db2.gz LBLCKUVBSJILOX-HZSPNIEDSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000570236818 322268378 /nfs/dbraw/zinc/26/83/78/322268378.db2.gz LBLCKUVBSJILOX-HZSPNIEDSA-N 2 2 262.372 3.055 20 0 CGADLP C[C@H](c1ccccc1F)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000570236818 322268380 /nfs/dbraw/zinc/26/83/80/322268380.db2.gz LBLCKUVBSJILOX-HZSPNIEDSA-N 2 2 262.372 3.055 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000570295092 322270097 /nfs/dbraw/zinc/27/00/97/322270097.db2.gz YYPIMXKFBZHCPS-NSHDSACASA-N 2 2 275.421 3.301 20 0 CGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000571291436 322295079 /nfs/dbraw/zinc/29/50/79/322295079.db2.gz XOXNAXOVOLLUTA-UHFFFAOYSA-N 2 2 289.810 3.471 20 0 CGADLP CC[C@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000571397253 322297561 /nfs/dbraw/zinc/29/75/61/322297561.db2.gz YSCOJVILSMWMGQ-RDJZCZTQSA-N 2 2 290.451 3.011 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccccc1Cl ZINC000571461055 322299425 /nfs/dbraw/zinc/29/94/25/322299425.db2.gz FFLITHDBNDONTG-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccccc1Cl ZINC000571461055 322299426 /nfs/dbraw/zinc/29/94/26/322299426.db2.gz FFLITHDBNDONTG-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000571665456 322304946 /nfs/dbraw/zinc/30/49/46/322304946.db2.gz FFUPQIAGKHPCII-ZDUSSCGKSA-N 2 2 284.394 3.217 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]ccc4cc(F)ccc43)C2)C1 ZINC000573086717 322369230 /nfs/dbraw/zinc/36/92/30/322369230.db2.gz KQGPCJNVORMJEF-GOSISDBHSA-N 2 2 299.393 3.296 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCN(c3[nH+]ccc4cc(F)ccc43)C2)C1 ZINC000573086717 322369234 /nfs/dbraw/zinc/36/92/34/322369234.db2.gz KQGPCJNVORMJEF-GOSISDBHSA-N 2 2 299.393 3.296 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573371100 322384543 /nfs/dbraw/zinc/38/45/43/322384543.db2.gz VPEFJEYXHRZZNJ-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573371100 322384545 /nfs/dbraw/zinc/38/45/45/322384545.db2.gz VPEFJEYXHRZZNJ-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP Cc1cc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)on1 ZINC000583396995 327342391 /nfs/dbraw/zinc/34/23/91/327342391.db2.gz BURMGBKEOJZXCO-AWEZNQCLSA-N 2 2 296.374 3.062 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580604185 335300965 /nfs/dbraw/zinc/30/09/65/335300965.db2.gz NXOBWDGJXFXIOW-OAHLLOKOSA-N 2 2 299.418 3.236 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580604185 335300967 /nfs/dbraw/zinc/30/09/67/335300967.db2.gz NXOBWDGJXFXIOW-OAHLLOKOSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000577173148 335315409 /nfs/dbraw/zinc/31/54/09/335315409.db2.gz ABHCCCYSJOSXQW-LESCRADOSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577765116 335399036 /nfs/dbraw/zinc/39/90/36/335399036.db2.gz FMMWNIQKKLOPKQ-LSDHHAIUSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577765116 335399037 /nfs/dbraw/zinc/39/90/37/335399037.db2.gz FMMWNIQKKLOPKQ-LSDHHAIUSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C(C)C)CC2)n1C ZINC000578787050 335675512 /nfs/dbraw/zinc/67/55/12/335675512.db2.gz AJAORPCGFUUOIR-LSDHHAIUSA-N 2 2 263.429 3.423 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000381092518 336049853 /nfs/dbraw/zinc/04/98/53/336049853.db2.gz XCUBCIADNPGQCH-UXLLHSPISA-N 2 2 260.425 3.428 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000381092518 336049854 /nfs/dbraw/zinc/04/98/54/336049854.db2.gz XCUBCIADNPGQCH-UXLLHSPISA-N 2 2 260.425 3.428 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337624 336052474 /nfs/dbraw/zinc/05/24/74/336052474.db2.gz RRNKVLNZWLPANI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337624 336052475 /nfs/dbraw/zinc/05/24/75/336052475.db2.gz RRNKVLNZWLPANI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337624 336052476 /nfs/dbraw/zinc/05/24/76/336052476.db2.gz RRNKVLNZWLPANI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2F)C1 ZINC000581337624 336052477 /nfs/dbraw/zinc/05/24/77/336052477.db2.gz RRNKVLNZWLPANI-CJNGLKHVSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382134483 336082591 /nfs/dbraw/zinc/08/25/91/336082591.db2.gz MZMYVZFDZLRWED-FMZYEAAPSA-N 2 2 276.468 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC2CCC1CC2 ZINC000382134483 336082593 /nfs/dbraw/zinc/08/25/93/336082593.db2.gz MZMYVZFDZLRWED-FMZYEAAPSA-N 2 2 276.468 3.416 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000385960537 336163091 /nfs/dbraw/zinc/16/30/91/336163091.db2.gz NWUKTEJHCHRTML-RKYPPNDESA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000385960537 336163093 /nfs/dbraw/zinc/16/30/93/336163093.db2.gz NWUKTEJHCHRTML-RKYPPNDESA-N 2 2 272.436 3.284 20 0 CGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCSC2)CCC1 ZINC000386804003 336179833 /nfs/dbraw/zinc/17/98/33/336179833.db2.gz CFTUUYTZVZFWNZ-MRXNPFEDSA-N 2 2 290.476 3.136 20 0 CGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCSC2)CCC1 ZINC000386804003 336179834 /nfs/dbraw/zinc/17/98/34/336179834.db2.gz CFTUUYTZVZFWNZ-MRXNPFEDSA-N 2 2 290.476 3.136 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000386891740 336181991 /nfs/dbraw/zinc/18/19/91/336181991.db2.gz NPHKMHVHRAVHJY-IAGOWNOFSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000386891740 336181993 /nfs/dbraw/zinc/18/19/93/336181993.db2.gz NPHKMHVHRAVHJY-IAGOWNOFSA-N 2 2 260.425 3.287 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2c[nH+]c(C)n2C)c1C ZINC000582014059 336192387 /nfs/dbraw/zinc/19/23/87/336192387.db2.gz FZPQFKZYIZMDBQ-UHFFFAOYSA-N 2 2 296.418 3.425 20 0 CGADLP COc1cccc2c(C[NH2+]CC[NH+]3CCCC3)cccc12 ZINC000449221452 533836396 /nfs/dbraw/zinc/83/63/96/533836396.db2.gz SXMGOQPASLXNLX-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)C[N@@H+]1C1CC1 ZINC000449187642 533958002 /nfs/dbraw/zinc/95/80/02/533958002.db2.gz MQTLIMACYZJUHR-DOMZBBRYSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccoc32)C[N@H+]1C1CC1 ZINC000449187642 533958008 /nfs/dbraw/zinc/95/80/08/533958008.db2.gz MQTLIMACYZJUHR-DOMZBBRYSA-N 2 2 270.376 3.148 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000422813749 533972891 /nfs/dbraw/zinc/97/28/91/533972891.db2.gz ZSZLAADMYIYURC-MJVIPROJSA-N 2 2 284.350 3.079 20 0 CGADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000368093270 533993099 /nfs/dbraw/zinc/99/30/99/533993099.db2.gz PXBRDAKFUNGBJH-HNNXBMFYSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000423407297 534000184 /nfs/dbraw/zinc/00/01/84/534000184.db2.gz ZSYZJOQZFOIIGJ-CIUDSAMLSA-N 2 2 293.358 3.082 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414928282 534101121 /nfs/dbraw/zinc/10/11/21/534101121.db2.gz MSVLKRHKAGFFHY-CZUORRHYSA-N 2 2 270.376 3.034 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000449188842 534123262 /nfs/dbraw/zinc/12/32/62/534123262.db2.gz GIMJLMBPKSVOOR-PSTGCABASA-N 2 2 294.389 3.141 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000449188842 534123267 /nfs/dbraw/zinc/12/32/67/534123267.db2.gz GIMJLMBPKSVOOR-PSTGCABASA-N 2 2 294.389 3.141 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[NH+]1CCCC1 ZINC000449221849 534266903 /nfs/dbraw/zinc/26/69/03/534266903.db2.gz UQJZEQZWFLMURT-AWEZNQCLSA-N 2 2 272.392 3.049 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000356884895 534383408 /nfs/dbraw/zinc/38/34/08/534383408.db2.gz WXBQCLWFQWQRCQ-GFCCVEGCSA-N 2 2 276.346 3.102 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423419226 534498727 /nfs/dbraw/zinc/49/87/27/534498727.db2.gz ILRNVWBDUOJXNL-MOPGFXCFSA-N 2 2 296.389 3.290 20 0 CGADLP Cc1cccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000449019220 534692173 /nfs/dbraw/zinc/69/21/73/534692173.db2.gz VXLRACSWQXXOBH-INIZCTEOSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1cccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000449019220 534692175 /nfs/dbraw/zinc/69/21/75/534692175.db2.gz VXLRACSWQXXOBH-INIZCTEOSA-N 2 2 269.392 3.140 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000087758672 523777809 /nfs/dbraw/zinc/77/78/09/523777809.db2.gz LXDIOKLQORUSNY-UHFFFAOYSA-N 2 2 273.207 3.177 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000049592554 524208116 /nfs/dbraw/zinc/20/81/16/524208116.db2.gz USNYBFPYUUNPDU-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000049592554 524208124 /nfs/dbraw/zinc/20/81/24/524208124.db2.gz USNYBFPYUUNPDU-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000156444769 524515636 /nfs/dbraw/zinc/51/56/36/524515636.db2.gz RELXMEZMOKPTOA-HIFRSBDPSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000156444769 524515641 /nfs/dbraw/zinc/51/56/41/524515641.db2.gz RELXMEZMOKPTOA-HIFRSBDPSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000155521792 525017984 /nfs/dbraw/zinc/01/79/84/525017984.db2.gz MQTAEDHYGYUYOI-WBVHZDCISA-N 2 2 289.467 3.318 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000155521792 525017997 /nfs/dbraw/zinc/01/79/97/525017997.db2.gz MQTAEDHYGYUYOI-WBVHZDCISA-N 2 2 289.467 3.318 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000289861654 525730050 /nfs/dbraw/zinc/73/00/50/525730050.db2.gz VWDUPIZKCUXXEW-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000289861654 525730060 /nfs/dbraw/zinc/73/00/60/525730060.db2.gz VWDUPIZKCUXXEW-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC23CCC(CC2)C3)[nH+]1 ZINC000354294592 526536986 /nfs/dbraw/zinc/53/69/86/526536986.db2.gz CZAVLXDUMITXRE-UHFFFAOYSA-N 2 2 255.365 3.004 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000086671792 527169356 /nfs/dbraw/zinc/16/93/56/527169356.db2.gz NPTRBWHHFRMUOH-GXTWGEPZSA-N 2 2 257.381 3.123 20 0 CGADLP CC(C)=CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359697058 527407188 /nfs/dbraw/zinc/40/71/88/527407188.db2.gz ATNDDXAAEFCTCV-UHFFFAOYSA-N 2 2 261.394 3.380 20 0 CGADLP C(CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)CC1CCOCC1 ZINC000369198617 527477902 /nfs/dbraw/zinc/47/79/02/527477902.db2.gz PFVCMBQDHHVREH-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)CC1CCOCC1 ZINC000369198617 527477906 /nfs/dbraw/zinc/47/79/06/527477906.db2.gz PFVCMBQDHHVREH-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP CC(C)(C)CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358001058 527669526 /nfs/dbraw/zinc/66/95/26/527669526.db2.gz CXKYBSYJWHQJGW-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000414122894 527808177 /nfs/dbraw/zinc/80/81/77/527808177.db2.gz IWLANUHRTJLDPF-OAHLLOKOSA-N 2 2 265.445 3.403 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000368099564 527876453 /nfs/dbraw/zinc/87/64/53/527876453.db2.gz GBSDMVOBYPSKRB-RVKKMQEKSA-N 2 2 295.430 3.439 20 0 CGADLP CC1(C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000368099564 527876455 /nfs/dbraw/zinc/87/64/55/527876455.db2.gz GBSDMVOBYPSKRB-RVKKMQEKSA-N 2 2 295.430 3.439 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1 ZINC000177306988 527900345 /nfs/dbraw/zinc/90/03/45/527900345.db2.gz OBOZPNSUMKLJIR-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1ccccc1 ZINC000177306988 527900352 /nfs/dbraw/zinc/90/03/52/527900352.db2.gz OBOZPNSUMKLJIR-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1 ZINC000177306988 527900355 /nfs/dbraw/zinc/90/03/55/527900355.db2.gz OBOZPNSUMKLJIR-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1 ZINC000177306988 527900356 /nfs/dbraw/zinc/90/03/56/527900356.db2.gz OBOZPNSUMKLJIR-MSOLQXFVSA-N 2 2 272.436 3.178 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423367447 528067166 /nfs/dbraw/zinc/06/71/66/528067166.db2.gz MLSMCNKSMHTPPN-NORZTCDRSA-N 2 2 282.378 3.189 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000359007320 528107637 /nfs/dbraw/zinc/10/76/37/528107637.db2.gz ZQJYHBFPKGPCSS-ARFHVFGLSA-N 2 2 282.497 3.006 20 0 CGADLP CC(C)CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000119719558 528140816 /nfs/dbraw/zinc/14/08/16/528140816.db2.gz BVLPLTNFXWTJIP-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000119719558 528140822 /nfs/dbraw/zinc/14/08/22/528140822.db2.gz BVLPLTNFXWTJIP-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccnc1 ZINC000368478518 528221475 /nfs/dbraw/zinc/22/14/75/528221475.db2.gz SRTROQXSBYOJQE-KRWDZBQOSA-N 2 2 298.434 3.288 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157207706 528291626 /nfs/dbraw/zinc/29/16/26/528291626.db2.gz AWXSLMRGFMSJKB-ZBFHGGJFSA-N 2 2 280.431 3.323 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000358151825 528314376 /nfs/dbraw/zinc/31/43/76/528314376.db2.gz GUJQUYUSCZGNFV-RWMBFGLXSA-N 2 2 281.469 3.400 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000358151825 528314381 /nfs/dbraw/zinc/31/43/81/528314381.db2.gz GUJQUYUSCZGNFV-RWMBFGLXSA-N 2 2 281.469 3.400 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414829362 528329891 /nfs/dbraw/zinc/32/98/91/528329891.db2.gz MJOBLWFXXIIQPJ-UHFFFAOYSA-N 2 2 280.721 3.058 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423229756 528334483 /nfs/dbraw/zinc/33/44/83/528334483.db2.gz BYJMPYTVVTWMJV-LJQANCHMSA-N 2 2 298.430 3.178 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000423385367 528422867 /nfs/dbraw/zinc/42/28/67/528422867.db2.gz QVRGYDDTQBNYBU-ZJUUUORDSA-N 2 2 260.834 3.440 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423379523 528423491 /nfs/dbraw/zinc/42/34/91/528423491.db2.gz MAVBUFYRLMUDDL-GHMZBOCLSA-N 2 2 270.417 3.196 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423382325 528424009 /nfs/dbraw/zinc/42/40/09/528424009.db2.gz OILNJWLOJOKHFU-VXGBXAGGSA-N 2 2 282.453 3.066 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423309888 528513830 /nfs/dbraw/zinc/51/38/30/528513830.db2.gz MIYPDZFBVGORKT-CQSZACIVSA-N 2 2 297.240 3.026 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423271525 528518740 /nfs/dbraw/zinc/51/87/40/528518740.db2.gz XWYSQAQDACUHNZ-NWDGAFQWSA-N 2 2 286.366 3.312 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000423262889 528577420 /nfs/dbraw/zinc/57/74/20/528577420.db2.gz NPXLIMYHYVCPMM-CJNGLKHVSA-N 2 2 278.444 3.022 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423237157 528589760 /nfs/dbraw/zinc/58/97/60/528589760.db2.gz PJRAJWKKFLZMEJ-IUODEOHRSA-N 2 2 268.351 3.004 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc21 ZINC000423318412 528699039 /nfs/dbraw/zinc/69/90/39/528699039.db2.gz LAIZFKOBHBXRIP-BXUZGUMPSA-N 2 2 288.391 3.219 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]([NH3+])C3CC3)oc21 ZINC000423318417 528699079 /nfs/dbraw/zinc/69/90/79/528699079.db2.gz LAIZFKOBHBXRIP-SMDDNHRTSA-N 2 2 288.391 3.219 20 0 CGADLP CCCc1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000428245604 528717328 /nfs/dbraw/zinc/71/73/28/528717328.db2.gz ZXRBKUQCWDKWGA-DZGCQCFKSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)o1 ZINC000428245604 528717331 /nfs/dbraw/zinc/71/73/31/528717331.db2.gz ZXRBKUQCWDKWGA-DZGCQCFKSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC000428245604 528717335 /nfs/dbraw/zinc/71/73/35/528717335.db2.gz ZXRBKUQCWDKWGA-DZGCQCFKSA-N 2 2 293.455 3.240 20 0 CGADLP CCCc1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC000428245604 528717339 /nfs/dbraw/zinc/71/73/39/528717339.db2.gz ZXRBKUQCWDKWGA-DZGCQCFKSA-N 2 2 293.455 3.240 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000178651905 528724741 /nfs/dbraw/zinc/72/47/41/528724741.db2.gz QWKIRTYZIQAKQK-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000178651905 528724746 /nfs/dbraw/zinc/72/47/46/528724746.db2.gz QWKIRTYZIQAKQK-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423303984 528823677 /nfs/dbraw/zinc/82/36/77/528823677.db2.gz XWAXGBKPXJUYDQ-LSDHHAIUSA-N 2 2 284.831 3.135 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449063216 528987358 /nfs/dbraw/zinc/98/73/58/528987358.db2.gz LZBKDZAKWDBVPC-UHFFFAOYSA-N 2 2 298.430 3.422 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000133050319 529058186 /nfs/dbraw/zinc/05/81/86/529058186.db2.gz MZSBFNTVLILEJS-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000133050319 529058191 /nfs/dbraw/zinc/05/81/91/529058191.db2.gz MZSBFNTVLILEJS-NVXWUHKLSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143836 529086166 /nfs/dbraw/zinc/08/61/66/529086166.db2.gz GMMQHMSAKZMPGQ-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cc(C)cc2F)C1 ZINC000424143836 529086171 /nfs/dbraw/zinc/08/61/71/529086171.db2.gz GMMQHMSAKZMPGQ-CYBMUJFWSA-N 2 2 282.378 3.095 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1OC ZINC000423322652 529173330 /nfs/dbraw/zinc/17/33/30/529173330.db2.gz OBRWIQXOHMXTHR-ZIAGYGMSSA-N 2 2 282.815 3.127 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309780 529274287 /nfs/dbraw/zinc/27/42/87/529274287.db2.gz INJMPWRTEOTSSX-ILOCAZANSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309780 529274288 /nfs/dbraw/zinc/27/42/88/529274288.db2.gz INJMPWRTEOTSSX-ILOCAZANSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000518996317 534985678 /nfs/dbraw/zinc/98/56/78/534985678.db2.gz YJERHNKIELMBIT-JSGCOSHPSA-N 2 2 296.842 3.439 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000518996317 534985685 /nfs/dbraw/zinc/98/56/85/534985685.db2.gz YJERHNKIELMBIT-JSGCOSHPSA-N 2 2 296.842 3.439 20 0 CGADLP CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535542 535516571 /nfs/dbraw/zinc/51/65/71/535516571.db2.gz YJSJMZMSOTZKJQ-OAHLLOKOSA-N 2 2 282.378 3.490 20 0 CGADLP C[NH+](C)Cc1cccc(NCc2cn3ccccc3[nH+]2)c1 ZINC000088627128 536039710 /nfs/dbraw/zinc/03/97/10/536039710.db2.gz MABIOFRXULRODP-UHFFFAOYSA-N 2 2 280.375 3.008 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451566438 536749743 /nfs/dbraw/zinc/74/97/43/536749743.db2.gz MJNISUZTBYJFGG-QAPCUYQASA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000451566438 536749747 /nfs/dbraw/zinc/74/97/47/536749747.db2.gz MJNISUZTBYJFGG-QAPCUYQASA-N 2 2 299.418 3.038 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000729681646 571928761 /nfs/dbraw/zinc/92/87/61/571928761.db2.gz GRWGHKQHUQSINP-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000729681646 571928765 /nfs/dbraw/zinc/92/87/65/571928765.db2.gz GRWGHKQHUQSINP-QGZVFWFLSA-N 2 2 290.451 3.439 20 0 CGADLP CCOC1CC([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000158008339 571960912 /nfs/dbraw/zinc/96/09/12/571960912.db2.gz BFHWLBMYDLTLHF-DAWZGUTISA-N 2 2 290.451 3.227 20 0 CGADLP Cc1nc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000742392878 572576056 /nfs/dbraw/zinc/57/60/56/572576056.db2.gz UOMDOHOQTJNDNY-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CCCC[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000726697921 572592640 /nfs/dbraw/zinc/59/26/40/572592640.db2.gz HTGHATMJHWFKMI-KRWDZBQOSA-N 2 2 276.424 3.222 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404194 572750404 /nfs/dbraw/zinc/75/04/04/572750404.db2.gz JNYOMYWDSBHHKN-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404194 572750408 /nfs/dbraw/zinc/75/04/08/572750408.db2.gz JNYOMYWDSBHHKN-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404194 572750412 /nfs/dbraw/zinc/75/04/12/572750412.db2.gz JNYOMYWDSBHHKN-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Cl)n2)C[C@@H]1C ZINC000744404194 572750414 /nfs/dbraw/zinc/75/04/14/572750414.db2.gz JNYOMYWDSBHHKN-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP COc1cccc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000090721314 618169695 /nfs/dbraw/zinc/16/96/95/618169695.db2.gz INNNUYSYVTZIPM-TZMCWYRMSA-N 2 2 288.391 3.014 20 0 CGADLP COc1cccc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000090721314 618169702 /nfs/dbraw/zinc/16/97/02/618169702.db2.gz INNNUYSYVTZIPM-TZMCWYRMSA-N 2 2 288.391 3.014 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000891725718 618262831 /nfs/dbraw/zinc/26/28/31/618262831.db2.gz UETQGCKURSRKJB-MRXNPFEDSA-N 2 2 298.434 3.383 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000891725718 618262837 /nfs/dbraw/zinc/26/28/37/618262837.db2.gz UETQGCKURSRKJB-MRXNPFEDSA-N 2 2 298.434 3.383 20 0 CGADLP COCCCC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000891842838 618332689 /nfs/dbraw/zinc/33/26/89/618332689.db2.gz SXRLYULSIZXIFR-UHFFFAOYSA-N 2 2 291.439 3.117 20 0 CGADLP CC1(C)CC2(CC([NH2+]CC[N@@H+]3CCCC(C)(C)C3)C2)CO1 ZINC000926295183 618395072 /nfs/dbraw/zinc/39/50/72/618395072.db2.gz MGBKRGAOABMECN-UHFFFAOYSA-N 2 2 294.483 3.046 20 0 CGADLP CC1(C)CC2(CC([NH2+]CC[N@H+]3CCCC(C)(C)C3)C2)CO1 ZINC000926295183 618395085 /nfs/dbraw/zinc/39/50/85/618395085.db2.gz MGBKRGAOABMECN-UHFFFAOYSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926322181 618461714 /nfs/dbraw/zinc/46/17/14/618461714.db2.gz DUJQSWLXOHWMND-JALIKCBVSA-N 2 2 282.497 3.123 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926322181 618461717 /nfs/dbraw/zinc/46/17/17/618461717.db2.gz DUJQSWLXOHWMND-JALIKCBVSA-N 2 2 282.497 3.123 20 0 CGADLP Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892179387 618572423 /nfs/dbraw/zinc/57/24/23/618572423.db2.gz MHOZJXGCXANAID-HNNXBMFYSA-N 2 2 288.439 3.019 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1csnn1 ZINC000926590056 618754905 /nfs/dbraw/zinc/75/49/05/618754905.db2.gz KDUOPNIUPHZJOX-NWDGAFQWSA-N 2 2 290.436 3.012 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892431853 618777392 /nfs/dbraw/zinc/77/73/92/618777392.db2.gz YBRQLEOKEWUXAR-UHFFFAOYSA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746709 618858293 /nfs/dbraw/zinc/85/82/93/618858293.db2.gz SMLUVHZPBKBLBK-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746709 618858294 /nfs/dbraw/zinc/85/82/94/618858294.db2.gz SMLUVHZPBKBLBK-MAUKXSAKSA-N 2 2 287.451 3.009 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000892750974 618931495 /nfs/dbraw/zinc/93/14/95/618931495.db2.gz OJJGSNMXCAQVGL-UHFFFAOYSA-N 2 2 292.423 3.032 20 0 CGADLP Cc1csc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)n1 ZINC000893080652 618991133 /nfs/dbraw/zinc/99/11/33/618991133.db2.gz QRPQSHHVKBKERT-DKUMPPAJSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1csc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)n1 ZINC000893080652 618991134 /nfs/dbraw/zinc/99/11/34/618991134.db2.gz QRPQSHHVKBKERT-DKUMPPAJSA-N 2 2 291.464 3.117 20 0 CGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)sc1C ZINC000893202021 619027128 /nfs/dbraw/zinc/02/71/28/619027128.db2.gz XWKPIIVVMSFTIZ-HNNXBMFYSA-N 2 2 295.496 3.218 20 0 CGADLP Cc1nc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)sc1C ZINC000893202021 619027129 /nfs/dbraw/zinc/02/71/29/619027129.db2.gz XWKPIIVVMSFTIZ-HNNXBMFYSA-N 2 2 295.496 3.218 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925603881 619082379 /nfs/dbraw/zinc/08/23/79/619082379.db2.gz FNXALHFHONVILR-WQVCFCJDSA-N 2 2 291.439 3.001 20 0 CGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925603881 619082382 /nfs/dbraw/zinc/08/23/82/619082382.db2.gz FNXALHFHONVILR-WQVCFCJDSA-N 2 2 291.439 3.001 20 0 CGADLP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)ccc1[NH+](C)C ZINC000777642671 619162990 /nfs/dbraw/zinc/16/29/90/619162990.db2.gz AQPMFEZTNYTKHL-CQSZACIVSA-N 2 2 275.440 3.203 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cs1 ZINC000925736577 619210581 /nfs/dbraw/zinc/21/05/81/619210581.db2.gz BSNOWCLBTLIKFW-SNVBAGLBSA-N 2 2 255.431 3.045 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000925847792 619294714 /nfs/dbraw/zinc/29/47/14/619294714.db2.gz YJKQJPUCVDIFPB-JGGQBBKZSA-N 2 2 293.480 3.449 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000893978071 619343978 /nfs/dbraw/zinc/34/39/78/619343978.db2.gz OIMNCEOFWYHRMG-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000893978071 619343979 /nfs/dbraw/zinc/34/39/79/619343979.db2.gz OIMNCEOFWYHRMG-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893978071 619343980 /nfs/dbraw/zinc/34/39/80/619343980.db2.gz OIMNCEOFWYHRMG-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000893978071 619343981 /nfs/dbraw/zinc/34/39/81/619343981.db2.gz OIMNCEOFWYHRMG-GDBMZVCRSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925062427 619516244 /nfs/dbraw/zinc/51/62/44/619516244.db2.gz OJWMVFIYUOSEFF-CYBMUJFWSA-N 2 2 293.455 3.453 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2c(c1)OCO2 ZINC000262057391 619641024 /nfs/dbraw/zinc/64/10/24/619641024.db2.gz DQGQFUJIZQKMMC-XZJROXQQSA-N 2 2 296.370 3.211 20 0 CGADLP CC[C@H](C1CC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895116801 619737030 /nfs/dbraw/zinc/73/70/30/619737030.db2.gz UEUDKGRUXSKKNK-BZUAXINKSA-N 2 2 273.424 3.347 20 0 CGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895381453 619817788 /nfs/dbraw/zinc/81/77/88/619817788.db2.gz TXYKSFFTZMDURU-NVXWUHKLSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895381453 619817792 /nfs/dbraw/zinc/81/77/92/619817792.db2.gz TXYKSFFTZMDURU-NVXWUHKLSA-N 2 2 292.471 3.016 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000050267215 620285643 /nfs/dbraw/zinc/28/56/43/620285643.db2.gz FXGJJEVBGCOYQU-ZWKOTPCHSA-N 2 2 288.435 3.352 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2OC)CC1 ZINC000897481439 620348014 /nfs/dbraw/zinc/34/80/14/620348014.db2.gz DSBPDZDGBKBKRU-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP C[C@H](Cc1cccnc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000897969614 620450701 /nfs/dbraw/zinc/45/07/01/620450701.db2.gz LHNAUYPFZBRVGI-CYBMUJFWSA-N 2 2 298.415 3.050 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035043 620470626 /nfs/dbraw/zinc/47/06/26/620470626.db2.gz ICKFSKWNPSSJMM-NSHDSACASA-N 2 2 266.351 3.039 20 0 CGADLP C[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035043 620470630 /nfs/dbraw/zinc/47/06/30/620470630.db2.gz ICKFSKWNPSSJMM-NSHDSACASA-N 2 2 266.351 3.039 20 0 CGADLP CCO[C@H](C[NH2+][C@H](C)c1ccc(SC)cc1)C[NH+](C)C ZINC000926965360 620556669 /nfs/dbraw/zinc/55/66/69/620556669.db2.gz QFGLKNVDUOQXKO-UKRRQHHQSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccns1 ZINC000924728477 620580040 /nfs/dbraw/zinc/58/00/40/620580040.db2.gz GIGFVDIXZPPNDW-WCQYABFASA-N 2 2 278.425 3.105 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(Cl)cc1 ZINC000902473182 621324780 /nfs/dbraw/zinc/32/47/80/621324780.db2.gz TZHXBYAJXVYBGB-CBBWQLFWSA-N 2 2 264.800 3.274 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902476813 621326984 /nfs/dbraw/zinc/32/69/84/621326984.db2.gz PJGVNTNSRRYHMN-RQJABVFESA-N 2 2 264.438 3.318 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(-c2ccncc2)c1 ZINC000902449203 621329301 /nfs/dbraw/zinc/32/93/01/621329301.db2.gz MPCHJZCRSUQZFX-KDOFPFPSSA-N 2 2 295.430 3.397 20 0 CGADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902464968 621337789 /nfs/dbraw/zinc/33/77/89/621337789.db2.gz FCOXHBDRMNJUFI-YLFCFFPRSA-N 2 2 256.393 3.010 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470222 621341534 /nfs/dbraw/zinc/34/15/34/621341534.db2.gz UYMIOXLVHQRSHM-FCRVUTKVSA-N 2 2 295.430 3.336 20 0 CGADLP C[C@H]([NH2+]CC1(C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902877345 621480797 /nfs/dbraw/zinc/48/07/97/621480797.db2.gz OPLQAIXQOAVABW-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902975964 621509029 /nfs/dbraw/zinc/50/90/29/621509029.db2.gz LSVMRIJHNOPPAG-YOEHRIQHSA-N 2 2 299.418 3.074 20 0 CGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903015719 621518379 /nfs/dbraw/zinc/51/83/79/621518379.db2.gz BALJYVRZDXAQTE-XYPHTWIQSA-N 2 2 285.391 3.090 20 0 CGADLP COCC(C)(C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902998213 621522837 /nfs/dbraw/zinc/52/28/37/621522837.db2.gz AYGBMBAVACCDBQ-AWEZNQCLSA-N 2 2 287.407 3.196 20 0 CGADLP CCC[C@H](CCO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073180 621570563 /nfs/dbraw/zinc/57/05/63/621570563.db2.gz OIPZMYGIKIKALL-GDBMZVCRSA-N 2 2 287.407 3.074 20 0 CGADLP CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903476219 621763754 /nfs/dbraw/zinc/76/37/54/621763754.db2.gz QPKODEBDLKEYCO-UKRRQHHQSA-N 2 2 276.399 3.146 20 0 CGADLP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903476219 621763759 /nfs/dbraw/zinc/76/37/59/621763759.db2.gz QPKODEBDLKEYCO-UKRRQHHQSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c2ccccc2n1 ZINC000903483149 621765619 /nfs/dbraw/zinc/76/56/19/621765619.db2.gz FBUKKBSJJWQVRE-SFHVURJKSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903948185 621840174 /nfs/dbraw/zinc/84/01/74/621840174.db2.gz MREHOIXKUIZQLZ-HRCADAONSA-N 2 2 259.397 3.031 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157484257 622908141 /nfs/dbraw/zinc/90/81/41/622908141.db2.gz RLRDINVSXCNWMS-CSMYWGQOSA-N 2 2 282.387 3.491 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000921519575 625628476 /nfs/dbraw/zinc/62/84/76/625628476.db2.gz OBMLDLOMCNDJOU-UHFFFAOYSA-N 2 2 295.858 3.253 20 0 CGADLP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]2)C(C)C)s1 ZINC000232841799 624004023 /nfs/dbraw/zinc/00/40/23/624004023.db2.gz YCCRXCCJITZXFW-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]2)C(C)C)s1 ZINC000232841799 624004027 /nfs/dbraw/zinc/00/40/27/624004027.db2.gz YCCRXCCJITZXFW-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CCO1 ZINC000070356574 624998754 /nfs/dbraw/zinc/99/87/54/624998754.db2.gz SFFJXQIBRDQAEO-JYJNAYRXSA-N 2 2 293.455 3.091 20 0 CGADLP c1cn(-c2csc(C[NH2+]CCC3CC=CC3)c2)c[nH+]1 ZINC000922733040 626040688 /nfs/dbraw/zinc/04/06/88/626040688.db2.gz FWERSNWNAPFNDA-UHFFFAOYSA-N 2 2 273.405 3.380 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000922837469 626054565 /nfs/dbraw/zinc/05/45/65/626054565.db2.gz OPGIBGBMNYCIPW-NWDGAFQWSA-N 2 2 293.461 3.308 20 0 CGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1C[C@@H]1C ZINC000840741599 626092204 /nfs/dbraw/zinc/09/22/04/626092204.db2.gz ZPEYCQKWENOQEK-WBAXXEDZSA-N 2 2 287.451 3.285 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])sc1C(C)(C)C ZINC000923354751 626148924 /nfs/dbraw/zinc/14/89/24/626148924.db2.gz VVJCBZRHZZWCKC-ZDUSSCGKSA-N 2 2 295.496 3.452 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])sc1C(C)(C)C ZINC000923354751 626148929 /nfs/dbraw/zinc/14/89/29/626148929.db2.gz VVJCBZRHZZWCKC-ZDUSSCGKSA-N 2 2 295.496 3.452 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000754121150 626558630 /nfs/dbraw/zinc/55/86/30/626558630.db2.gz JYBNFHMNGXRURV-SOUVJXGZSA-N 2 2 295.496 3.418 20 0 CGADLP Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000761871431 627069827 /nfs/dbraw/zinc/06/98/27/627069827.db2.gz NWDOKTVTUZZZBF-LBPRGKRZSA-N 2 2 276.428 3.078 20 0 CGADLP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000761871431 627069828 /nfs/dbraw/zinc/06/98/28/627069828.db2.gz NWDOKTVTUZZZBF-LBPRGKRZSA-N 2 2 276.428 3.078 20 0 CGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+]1CCCCC1 ZINC000765249893 627243870 /nfs/dbraw/zinc/24/38/70/627243870.db2.gz AHXGIIZLWOFXKV-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1(C)C ZINC000765808827 627271938 /nfs/dbraw/zinc/27/19/38/627271938.db2.gz JSXQBQRNDYHJMK-HRCADAONSA-N 2 2 282.472 3.043 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766267698 627307665 /nfs/dbraw/zinc/30/76/65/627307665.db2.gz IBXAAKWRDTYHJO-KSSFIOAISA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766267698 627307668 /nfs/dbraw/zinc/30/76/68/627307668.db2.gz IBXAAKWRDTYHJO-KSSFIOAISA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000766267645 627308188 /nfs/dbraw/zinc/30/81/88/627308188.db2.gz HAHMYPDBCXZWLZ-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000766267645 627308191 /nfs/dbraw/zinc/30/81/91/627308191.db2.gz HAHMYPDBCXZWLZ-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)c1ccccc1 ZINC000766271410 627309998 /nfs/dbraw/zinc/30/99/98/627309998.db2.gz FYDYDQRFSVIONW-HOTGVXAUSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)c1ccccc1 ZINC000766271410 627310003 /nfs/dbraw/zinc/31/00/03/627310003.db2.gz FYDYDQRFSVIONW-HOTGVXAUSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)c1ccccc1 ZINC000766271412 627310247 /nfs/dbraw/zinc/31/02/47/627310247.db2.gz FYDYDQRFSVIONW-JKSUJKDBSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)c1ccccc1 ZINC000766271412 627310248 /nfs/dbraw/zinc/31/02/48/627310248.db2.gz FYDYDQRFSVIONW-JKSUJKDBSA-N 2 2 274.452 3.427 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766273518 627311553 /nfs/dbraw/zinc/31/15/53/627311553.db2.gz QBPHZNLZUPWNOJ-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766273518 627311556 /nfs/dbraw/zinc/31/15/56/627311556.db2.gz QBPHZNLZUPWNOJ-NVXWUHKLSA-N 2 2 288.435 3.283 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000769874245 627586301 /nfs/dbraw/zinc/58/63/01/627586301.db2.gz JLPJFDKVTAJPRA-IACUBPJLSA-N 2 2 279.428 3.069 20 0 CGADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[NH+](C)C ZINC000774321926 627977319 /nfs/dbraw/zinc/97/73/19/627977319.db2.gz CCAZCKIROHYSPR-MQVJKMGUSA-N 2 2 273.424 3.098 20 0 CGADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[NH+](C)C ZINC000774321926 627977322 /nfs/dbraw/zinc/97/73/22/627977322.db2.gz CCAZCKIROHYSPR-MQVJKMGUSA-N 2 2 273.424 3.098 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C(C)C)cc2)CC1 ZINC000776804307 628233457 /nfs/dbraw/zinc/23/34/57/628233457.db2.gz DXCBHYBRAAXYPA-OAHLLOKOSA-N 2 2 275.440 3.285 20 0 CGADLP COc1ccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000778586776 628359802 /nfs/dbraw/zinc/35/98/02/628359802.db2.gz HXMBMXOCZQVLKI-UHFFFAOYSA-N 2 2 296.374 3.332 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H](C)C2 ZINC000779071928 628386824 /nfs/dbraw/zinc/38/68/24/628386824.db2.gz HLUAAPSEFPPWTC-RLFYNMQTSA-N 2 2 272.436 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H](C)C2 ZINC000779071928 628386826 /nfs/dbraw/zinc/38/68/26/628386826.db2.gz HLUAAPSEFPPWTC-RLFYNMQTSA-N 2 2 272.436 3.302 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000780530214 628495697 /nfs/dbraw/zinc/49/56/97/628495697.db2.gz OTCLQRVGGZEKKH-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000780530214 628495699 /nfs/dbraw/zinc/49/56/99/628495699.db2.gz OTCLQRVGGZEKKH-NJAFHUGGSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000780530215 628496002 /nfs/dbraw/zinc/49/60/02/628496002.db2.gz OTCLQRVGGZEKKH-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000780530215 628496005 /nfs/dbraw/zinc/49/60/05/628496005.db2.gz OTCLQRVGGZEKKH-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000783279657 628697976 /nfs/dbraw/zinc/69/79/76/628697976.db2.gz ZUEGUNCVRHZQOR-RDTXWAMCSA-N 2 2 287.451 3.427 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788507859 629060824 /nfs/dbraw/zinc/06/08/24/629060824.db2.gz RTAFPIIXNASSGW-ZDUSSCGKSA-N 2 2 281.831 3.042 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788507859 629060828 /nfs/dbraw/zinc/06/08/28/629060828.db2.gz RTAFPIIXNASSGW-ZDUSSCGKSA-N 2 2 281.831 3.042 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000863542581 629602163 /nfs/dbraw/zinc/60/21/63/629602163.db2.gz XZRSMGSKGPGHRN-IUODEOHRSA-N 2 2 262.372 3.069 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796907277 629857372 /nfs/dbraw/zinc/85/73/72/629857372.db2.gz NUIAVCJTYPIFJQ-YQVWRLOYSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796907277 629857374 /nfs/dbraw/zinc/85/73/74/629857374.db2.gz NUIAVCJTYPIFJQ-YQVWRLOYSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H]2CCC[C@H]21 ZINC000796907277 629857376 /nfs/dbraw/zinc/85/73/76/629857376.db2.gz NUIAVCJTYPIFJQ-YQVWRLOYSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H]2CCC[C@H]21 ZINC000796907277 629857378 /nfs/dbraw/zinc/85/73/78/629857378.db2.gz NUIAVCJTYPIFJQ-YQVWRLOYSA-N 2 2 299.462 3.354 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(CC3CCC3)c1)C2 ZINC000865573019 630195075 /nfs/dbraw/zinc/19/50/75/630195075.db2.gz AFACUNCIWIILIA-KRWDZBQOSA-N 2 2 295.430 3.399 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCC2 ZINC000800477617 630284122 /nfs/dbraw/zinc/28/41/22/630284122.db2.gz ZKDQQBHYKLLUFC-ZIAGYGMSSA-N 2 2 261.413 3.220 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000802303340 630395543 /nfs/dbraw/zinc/39/55/43/630395543.db2.gz FBMPKQGFMPTPKA-ZDUSSCGKSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000802303340 630395545 /nfs/dbraw/zinc/39/55/45/630395545.db2.gz FBMPKQGFMPTPKA-ZDUSSCGKSA-N 2 2 250.430 3.029 20 0 CGADLP CC1=CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000816536593 632006396 /nfs/dbraw/zinc/00/63/96/632006396.db2.gz DHECAESWSOVHFO-LSDHHAIUSA-N 2 2 261.413 3.386 20 0 CGADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817897127 632231479 /nfs/dbraw/zinc/23/14/79/632231479.db2.gz FYFSPANLRMTPJA-IAGOWNOFSA-N 2 2 270.351 3.369 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000866390332 633117795 /nfs/dbraw/zinc/11/77/95/633117795.db2.gz MWSOUSYQFSUDRW-IRXDYDNUSA-N 2 2 289.467 3.113 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000823529290 633118318 /nfs/dbraw/zinc/11/83/18/633118318.db2.gz KBLNWYSGTHHNMY-GOSISDBHSA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000872032765 633952068 /nfs/dbraw/zinc/95/20/68/633952068.db2.gz ZDUQLEINFFAGGX-CVEARBPZSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)C1 ZINC000872088490 634014808 /nfs/dbraw/zinc/01/48/08/634014808.db2.gz PBYNGYTXQZRQDY-XIRDDKMYSA-N 2 2 294.483 3.044 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CSC[C@@H]4C3)cc2)c[nH+]1 ZINC000877736713 635169189 /nfs/dbraw/zinc/16/91/89/635169189.db2.gz AQFTUNUVBHVOMA-CVEARBPZSA-N 2 2 299.443 3.057 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)cc2)c[nH+]1 ZINC000877736713 635169192 /nfs/dbraw/zinc/16/91/92/635169192.db2.gz AQFTUNUVBHVOMA-CVEARBPZSA-N 2 2 299.443 3.057 20 0 CGADLP c1cn(C2CC[NH+](CC3CC4(CCC4)C3)CC2)c[nH+]1 ZINC000878172977 635393352 /nfs/dbraw/zinc/39/33/52/635393352.db2.gz PSMDSTVFHDNBFQ-UHFFFAOYSA-N 2 2 259.397 3.100 20 0 CGADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000880384063 635990496 /nfs/dbraw/zinc/99/04/96/635990496.db2.gz PXKDFOULHHCDAE-UHFFFAOYSA-N 2 2 297.324 3.427 20 0 CGADLP FC(F)(F)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571642 636023768 /nfs/dbraw/zinc/02/37/68/636023768.db2.gz RWDWJJIEMXASGM-ZDUSSCGKSA-N 2 2 283.297 3.166 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121413 636176183 /nfs/dbraw/zinc/17/61/83/636176183.db2.gz JFWOXUMUSSSUGT-SMDDNHRTSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121413 636176186 /nfs/dbraw/zinc/17/61/86/636176186.db2.gz JFWOXUMUSSSUGT-SMDDNHRTSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883218339 636591439 /nfs/dbraw/zinc/59/14/39/636591439.db2.gz YLAAJSUTGHSXEN-MCIONIFRSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883218340 636591721 /nfs/dbraw/zinc/59/17/21/636591721.db2.gz YLAAJSUTGHSXEN-MGPQQGTHSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)nc1 ZINC000848568203 636610752 /nfs/dbraw/zinc/61/07/52/636610752.db2.gz BDDIACBBIRVTFJ-NWANDNLSSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)nc1 ZINC000848568203 636610756 /nfs/dbraw/zinc/61/07/56/636610756.db2.gz BDDIACBBIRVTFJ-NWANDNLSSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131631730 636703773 /nfs/dbraw/zinc/70/37/73/636703773.db2.gz PAXAESUZZTZXNO-UKRRQHHQSA-N 2 2 287.432 3.419 20 0 CGADLP c1cn(C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)c2ccccc2)c[nH+]1 ZINC000883388481 636730198 /nfs/dbraw/zinc/73/01/98/636730198.db2.gz WBUFUSBYJLRBOQ-KSZLIROESA-N 2 2 281.403 3.403 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438383 637063947 /nfs/dbraw/zinc/06/39/47/637063947.db2.gz FGXWXBGGRRKJAH-HUUCEWRRSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438383 637063950 /nfs/dbraw/zinc/06/39/50/637063950.db2.gz FGXWXBGGRRKJAH-HUUCEWRRSA-N 2 2 288.435 3.004 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556148 637121734 /nfs/dbraw/zinc/12/17/34/637121734.db2.gz RFURIIGCQGOWNN-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCCO3)C1 ZINC000850556148 637121738 /nfs/dbraw/zinc/12/17/38/637121738.db2.gz RFURIIGCQGOWNN-RHSMWYFYSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885923047 637313011 /nfs/dbraw/zinc/31/30/11/637313011.db2.gz OMIOJVWRVDIODU-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885923047 637313019 /nfs/dbraw/zinc/31/30/19/637313019.db2.gz OMIOJVWRVDIODU-SJORKVTESA-N 2 2 294.483 3.332 20 0 CGADLP CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000886308481 637494344 /nfs/dbraw/zinc/49/43/44/637494344.db2.gz DZOCNMYRSSIWFD-KRWDZBQOSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2cccnc21)C(C)C ZINC000886534729 637559965 /nfs/dbraw/zinc/55/99/65/637559965.db2.gz NKPWIBBDOKCXCS-MRXNPFEDSA-N 2 2 275.440 3.167 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886542846 637566654 /nfs/dbraw/zinc/56/66/54/637566654.db2.gz GVSFNVQWGJRMSI-PBHICJAKSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886542846 637566661 /nfs/dbraw/zinc/56/66/61/637566661.db2.gz GVSFNVQWGJRMSI-PBHICJAKSA-N 2 2 269.392 3.275 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924527795 638349636 /nfs/dbraw/zinc/34/96/36/638349636.db2.gz LXEMMLSOJSBQSS-CQSZACIVSA-N 2 2 281.831 3.044 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924627125 638379514 /nfs/dbraw/zinc/37/95/14/638379514.db2.gz ZVSHCGHUCCTAJD-HWWDLCQESA-N 2 2 283.419 3.456 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169301 638466940 /nfs/dbraw/zinc/46/69/40/638466940.db2.gz GWIKSZDNCPDUDZ-HUUCEWRRSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C(C)(C)O)cc1 ZINC000925169301 638466942 /nfs/dbraw/zinc/46/69/42/638466942.db2.gz GWIKSZDNCPDUDZ-HUUCEWRRSA-N 2 2 290.451 3.049 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)cc2c1C ZINC000925472871 638507688 /nfs/dbraw/zinc/50/76/88/638507688.db2.gz JOPPHSWLULKQLI-BBRMVZONSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@@H]([NH3+])[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599564 638541751 /nfs/dbraw/zinc/54/17/51/638541751.db2.gz ABWRXIMKNYLLMW-KDOFPFPSSA-N 2 2 296.418 3.182 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925648481 638556873 /nfs/dbraw/zinc/55/68/73/638556873.db2.gz UZYJOVCWLRQUAJ-OSAQELSMSA-N 2 2 289.448 3.233 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccccc1 ZINC000925699738 638571920 /nfs/dbraw/zinc/57/19/20/638571920.db2.gz QFIQHTNRJWSXKV-BKTGTZMESA-N 2 2 295.430 3.324 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc2ccccc21 ZINC000925787546 638613596 /nfs/dbraw/zinc/61/35/96/638613596.db2.gz VAVXGTCXJZCFSW-PBFPGSCMSA-N 2 2 254.377 3.098 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872505 638638258 /nfs/dbraw/zinc/63/82/58/638638258.db2.gz VJKDRJUQHQGIHL-IXDOHACOSA-N 2 2 279.387 3.193 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926343979 638764438 /nfs/dbraw/zinc/76/44/38/638764438.db2.gz IJGXODODDKXMKO-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926343979 638764440 /nfs/dbraw/zinc/76/44/40/638764440.db2.gz IJGXODODDKXMKO-IHRRRGAJSA-N 2 2 272.383 3.028 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000926367486 638767022 /nfs/dbraw/zinc/76/70/22/638767022.db2.gz MMJVKYWNFZOQSV-NEPJUHHUSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(F)(F)F ZINC000926367486 638767023 /nfs/dbraw/zinc/76/70/23/638767023.db2.gz MMJVKYWNFZOQSV-NEPJUHHUSA-N 2 2 278.362 3.181 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCC2)nc1 ZINC000926417285 638769179 /nfs/dbraw/zinc/76/91/79/638769179.db2.gz YNIXCUQCZXYHJT-DLBZAZTESA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(C2(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCC2)nc1 ZINC000926417285 638769180 /nfs/dbraw/zinc/76/91/80/638769180.db2.gz YNIXCUQCZXYHJT-DLBZAZTESA-N 2 2 299.462 3.110 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451199 638772546 /nfs/dbraw/zinc/77/25/46/638772546.db2.gz XMHWQRYIRWFYIS-XQQFMLRXSA-N 2 2 261.413 3.071 20 0 CGADLP FC1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926639667 638793455 /nfs/dbraw/zinc/79/34/55/638793455.db2.gz SYNFKGQTMWFHGT-CKUJCDMFSA-N 2 2 268.420 3.121 20 0 CGADLP FC1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926639667 638793456 /nfs/dbraw/zinc/79/34/56/638793456.db2.gz SYNFKGQTMWFHGT-CKUJCDMFSA-N 2 2 268.420 3.121 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926743370 638806035 /nfs/dbraw/zinc/80/60/35/638806035.db2.gz BVSARERNQKZGNV-VDBQLOCMSA-N 2 2 294.508 3.410 20 0 CGADLP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926743370 638806037 /nfs/dbraw/zinc/80/60/37/638806037.db2.gz BVSARERNQKZGNV-VDBQLOCMSA-N 2 2 294.508 3.410 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354484 639139620 /nfs/dbraw/zinc/13/96/20/639139620.db2.gz JAPYIMHSOWRARS-UHFFFAOYSA-N 2 2 289.467 3.430 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+]1CCCCC1 ZINC000159054521 640028895 /nfs/dbraw/zinc/02/88/95/640028895.db2.gz MQYRNUFDXBVNSU-HOTGVXAUSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000194439730 640532130 /nfs/dbraw/zinc/53/21/30/640532130.db2.gz HIYXEVDEJUZVCD-RDJZCZTQSA-N 2 2 288.435 3.398 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000094341954 640794420 /nfs/dbraw/zinc/79/44/20/640794420.db2.gz DTSGBHYLMABGGT-RISCZKNCSA-N 2 2 289.810 3.057 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3nc2Cl)CC[C@@H]1[NH3+] ZINC000094341954 640794426 /nfs/dbraw/zinc/79/44/26/640794426.db2.gz DTSGBHYLMABGGT-RISCZKNCSA-N 2 2 289.810 3.057 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135857 640858997 /nfs/dbraw/zinc/85/89/97/640858997.db2.gz KGIRBRPYONKCOR-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415135857 640858999 /nfs/dbraw/zinc/85/89/99/640858999.db2.gz KGIRBRPYONKCOR-INIZCTEOSA-N 2 2 272.417 3.229 20 0 CGADLP CC[NH+](CC)C1CCN(c2cc(SC)cc[nH+]2)CC1 ZINC001165053296 722005977 /nfs/dbraw/zinc/00/59/77/722005977.db2.gz LOAVESRTVQIHMI-UHFFFAOYSA-N 2 2 279.453 3.114 20 0 CGADLP CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001257311931 807100826 /nfs/dbraw/zinc/10/08/26/807100826.db2.gz SOHNMNRPCGMJTI-CYBMUJFWSA-N 2 2 264.388 3.264 20 0 CGADLP Cc1cccc2c(C)cc(N3CCC[C@](C)(C[NH3+])C3)[nH+]c12 ZINC001158676240 805984526 /nfs/dbraw/zinc/98/45/26/805984526.db2.gz ZGHNXILZBNVPNZ-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP [NH3+]Cc1ccn(-c2[nH+]c(N3CCCC3)cc3ccccc32)c1 ZINC001158766701 805999819 /nfs/dbraw/zinc/99/98/19/805999819.db2.gz FKCVUEBBQQTPEK-UHFFFAOYSA-N 2 2 292.386 3.084 20 0 CGADLP Cc1cn2c(cccc2Nc2cccc3c2CC[NH2+]C3)[nH+]1 ZINC001159108357 806041994 /nfs/dbraw/zinc/04/19/94/806041994.db2.gz FNICGGCAGLOAJZ-UHFFFAOYSA-N 2 2 278.359 3.032 20 0 CGADLP c1c[nH+]c(Nc2cccc3c2CC[NH2+]C3)c(N2CCCC2)c1 ZINC001159365512 806086765 /nfs/dbraw/zinc/08/67/65/806086765.db2.gz IYNJGVKDEVYZPR-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)c1ccccc1Cl ZINC001253209270 806182191 /nfs/dbraw/zinc/18/21/91/806182191.db2.gz DBYJVIDHSCPNEY-BBRMVZONSA-N 2 2 298.858 3.083 20 0 CGADLP Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c(C)[nH+]1 ZINC001159924020 806200796 /nfs/dbraw/zinc/20/07/96/806200796.db2.gz UJBMZNXHPOQTRI-INIZCTEOSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1c[nH+]cc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)c1C ZINC001159980612 806208220 /nfs/dbraw/zinc/20/82/20/806208220.db2.gz AHCKKNQTBLJDEW-OAHLLOKOSA-N 2 2 296.418 3.370 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c1C ZINC001159986091 806209000 /nfs/dbraw/zinc/20/90/00/806209000.db2.gz GBIJYLDXSWIPEB-HNNXBMFYSA-N 2 2 296.418 3.370 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC001253398944 806215105 /nfs/dbraw/zinc/21/51/05/806215105.db2.gz ORKHAHBIPSHKNJ-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC001253398944 806215133 /nfs/dbraw/zinc/21/51/33/806215133.db2.gz ORKHAHBIPSHKNJ-UHFFFAOYSA-N 2 2 269.392 3.493 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC001253408184 806216507 /nfs/dbraw/zinc/21/65/07/806216507.db2.gz VQGKZDQDHXUQDK-BBRMVZONSA-N 2 2 296.430 3.006 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001254508119 806427534 /nfs/dbraw/zinc/42/75/34/806427534.db2.gz GSVGRFGJAWDCRO-ZDUSSCGKSA-N 2 2 286.612 3.184 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001254508119 806427538 /nfs/dbraw/zinc/42/75/38/806427538.db2.gz GSVGRFGJAWDCRO-ZDUSSCGKSA-N 2 2 286.612 3.184 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254840785 806495858 /nfs/dbraw/zinc/49/58/58/806495858.db2.gz NYJSBNNDFDHKSS-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254831995 806491967 /nfs/dbraw/zinc/49/19/67/806491967.db2.gz ARJLQBVSGIPYKO-RHSMWYFYSA-N 2 2 258.409 3.130 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830996 806492493 /nfs/dbraw/zinc/49/24/93/806492493.db2.gz IYCGLQAJAKUQHB-CRAIPNDOSA-N 2 2 272.436 3.082 20 0 CGADLP C1CC[C@@H]2[C@H](C1)CCC[C@@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840125 806494910 /nfs/dbraw/zinc/49/49/10/806494910.db2.gz CHJYTPSTSZZAKD-TVFCKZIOSA-N 2 2 276.468 3.419 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CC2 ZINC001254840784 806495461 /nfs/dbraw/zinc/49/54/61/806495461.db2.gz NYJSBNNDFDHKSS-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC(C)(C)C1 ZINC001254840755 806496279 /nfs/dbraw/zinc/49/62/79/806496279.db2.gz NLVWYMFUVQMYGO-FVQBIDKESA-N 2 2 264.457 3.275 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254848698 806497454 /nfs/dbraw/zinc/49/74/54/806497454.db2.gz UWMBYKSVIOYRIC-PBHICJAKSA-N 2 2 288.435 3.220 20 0 CGADLP Cc1ccc2cccc(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)c2n1 ZINC001254853488 806500565 /nfs/dbraw/zinc/50/05/65/806500565.db2.gz WOTQDRLNNQUIPX-SFHVURJKSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001162423635 806583840 /nfs/dbraw/zinc/58/38/40/806583840.db2.gz BVRHUAOYMHETHH-LSDHHAIUSA-N 2 2 288.439 3.337 20 0 CGADLP CC1(C)CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001255302645 806601964 /nfs/dbraw/zinc/60/19/64/806601964.db2.gz SHVPYCFMGNILRY-UHFFFAOYSA-N 2 2 257.381 3.393 20 0 CGADLP Cc1cccc2c(C)cc(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)[nH+]c12 ZINC001162789697 806667097 /nfs/dbraw/zinc/66/70/97/806667097.db2.gz KEQJMUYWUALJEN-NUEKZKHPSA-N 2 2 279.387 3.038 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1 ZINC000037156185 798860799 /nfs/dbraw/zinc/86/07/99/798860799.db2.gz KSZHADJYTURIIB-HNNXBMFYSA-N 2 2 275.371 3.227 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)CC(F)(F)F)C1 ZINC001255665364 806700327 /nfs/dbraw/zinc/70/03/27/806700327.db2.gz XJVYGIQPADDPOW-VXGBXAGGSA-N 2 2 288.313 3.184 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)CC(F)(F)F)C1 ZINC001255665364 806700332 /nfs/dbraw/zinc/70/03/32/806700332.db2.gz XJVYGIQPADDPOW-VXGBXAGGSA-N 2 2 288.313 3.184 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003455 798951252 /nfs/dbraw/zinc/95/12/52/798951252.db2.gz JAQJINLVMOZKHP-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003455 798951254 /nfs/dbraw/zinc/95/12/54/798951254.db2.gz JAQJINLVMOZKHP-QGZVFWFLSA-N 2 2 297.446 3.492 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC000328376199 799251321 /nfs/dbraw/zinc/25/13/21/799251321.db2.gz UAWPSIQUIISKPW-HIFRSBDPSA-N 2 2 280.843 3.345 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC000328376199 799251323 /nfs/dbraw/zinc/25/13/23/799251323.db2.gz UAWPSIQUIISKPW-HIFRSBDPSA-N 2 2 280.843 3.345 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C1(c2ccccc2F)CC1 ZINC000338275910 799276293 /nfs/dbraw/zinc/27/62/93/799276293.db2.gz UNOMABUNTAGLKU-UHFFFAOYSA-N 2 2 264.388 3.136 20 0 CGADLP Cc1[nH+]cn([C@@H](C)CSc2ccc(C)cc2)c1CC[NH3+] ZINC001255753013 806737176 /nfs/dbraw/zinc/73/71/76/806737176.db2.gz NHNRXAXPGPVFED-ZDUSSCGKSA-N 2 2 289.448 3.354 20 0 CGADLP Cc1nc(NC2CCC(C[NH+](C)C)CC2)cc(C(C)C)[nH+]1 ZINC001163296533 806737391 /nfs/dbraw/zinc/73/73/91/806737391.db2.gz LXBJVODTJAPHNY-UHFFFAOYSA-N 2 2 290.455 3.441 20 0 CGADLP Cc1cc(N2C[C@H](C[NH3+])CC[C@H]2C)[nH+]c2ccccc12 ZINC000383699253 799407031 /nfs/dbraw/zinc/40/70/31/799407031.db2.gz APWJOFCXFVRDPE-KGLIPLIRSA-N 2 2 269.392 3.107 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978484 799430406 /nfs/dbraw/zinc/43/04/06/799430406.db2.gz QWPKWZRSJQVHEN-UWVGGRQHSA-N 2 2 260.303 3.045 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000385978484 799430410 /nfs/dbraw/zinc/43/04/10/799430410.db2.gz QWPKWZRSJQVHEN-UWVGGRQHSA-N 2 2 260.303 3.045 20 0 CGADLP Cc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1Br ZINC000393850945 799491144 /nfs/dbraw/zinc/49/11/44/799491144.db2.gz RNDLWWHSYRTUTG-LBPRGKRZSA-N 2 2 299.256 3.187 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1F ZINC001255946851 806792895 /nfs/dbraw/zinc/79/28/95/806792895.db2.gz JXDUETNBSDIAPY-CYBMUJFWSA-N 2 2 284.394 3.483 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1COc2cc(Cl)ccc21 ZINC001255951930 806794832 /nfs/dbraw/zinc/79/48/32/806794832.db2.gz LDNSDAXGYBADGE-WFASDCNBSA-N 2 2 296.842 3.484 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+](CCC1CCCCCC1)C2 ZINC000710278175 800032158 /nfs/dbraw/zinc/03/21/58/800032158.db2.gz LJRZMGJMGDZBMW-UHFFFAOYSA-N 2 2 293.480 3.320 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC000710278175 800032166 /nfs/dbraw/zinc/03/21/66/800032166.db2.gz LJRZMGJMGDZBMW-UHFFFAOYSA-N 2 2 293.480 3.320 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccccc1F ZINC001255962610 806799718 /nfs/dbraw/zinc/79/97/18/806799718.db2.gz XIHQPZMGXFSLTR-AWEZNQCLSA-N 2 2 266.404 3.378 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC001255962610 806799722 /nfs/dbraw/zinc/79/97/22/806799722.db2.gz XIHQPZMGXFSLTR-AWEZNQCLSA-N 2 2 266.404 3.378 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000715544926 800138566 /nfs/dbraw/zinc/13/85/66/800138566.db2.gz VKLALYAEQDYRCM-OLZOCXBDSA-N 2 2 295.496 3.403 20 0 CGADLP CC1(C)CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC000721524656 800291756 /nfs/dbraw/zinc/29/17/56/800291756.db2.gz QEIVERTVJZCCBM-KRWDZBQOSA-N 2 2 272.436 3.341 20 0 CGADLP CC1(C)CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC000721524656 800291762 /nfs/dbraw/zinc/29/17/62/800291762.db2.gz QEIVERTVJZCCBM-KRWDZBQOSA-N 2 2 272.436 3.341 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCC2(CC2)CC1 ZINC000721574270 800294576 /nfs/dbraw/zinc/29/45/76/800294576.db2.gz CPAAWPDIRUEFIN-KRWDZBQOSA-N 2 2 270.420 3.095 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CC2)CC1 ZINC000721574270 800294578 /nfs/dbraw/zinc/29/45/78/800294578.db2.gz CPAAWPDIRUEFIN-KRWDZBQOSA-N 2 2 270.420 3.095 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391381 800320421 /nfs/dbraw/zinc/32/04/21/800320421.db2.gz ASDHGBSXEFNUBV-JSGCOSHPSA-N 2 2 281.469 3.263 20 0 CGADLP CC[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@H]1CC1(C)C ZINC000722406402 800322650 /nfs/dbraw/zinc/32/26/50/800322650.db2.gz GTDYLVVTLOIBIE-CHWSQXEVSA-N 2 2 281.469 3.119 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC001256197667 806847204 /nfs/dbraw/zinc/84/72/04/806847204.db2.gz OMHZXZMUDLDCLU-INIZCTEOSA-N 2 2 264.388 3.351 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001256208248 806850356 /nfs/dbraw/zinc/85/03/56/806850356.db2.gz AUAMUQWLLQJBRZ-MRXNPFEDSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC001256208248 806850367 /nfs/dbraw/zinc/85/03/67/806850367.db2.gz AUAMUQWLLQJBRZ-MRXNPFEDSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544630 806913214 /nfs/dbraw/zinc/91/32/14/806913214.db2.gz ZTSDCBVZKLJSMU-IDCNUPLLSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544630 806913218 /nfs/dbraw/zinc/91/32/18/806913218.db2.gz ZTSDCBVZKLJSMU-IDCNUPLLSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544630 806913219 /nfs/dbraw/zinc/91/32/19/806913219.db2.gz ZTSDCBVZKLJSMU-IDCNUPLLSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256544630 806913223 /nfs/dbraw/zinc/91/32/23/806913223.db2.gz ZTSDCBVZKLJSMU-IDCNUPLLSA-N 2 2 290.426 3.472 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC001118118296 802527486 /nfs/dbraw/zinc/52/74/86/802527486.db2.gz FRSWPYKEIOXUIN-KGLIPLIRSA-N 2 2 268.351 3.244 20 0 CGADLP CC[NH+](CC)CC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001121023923 802801201 /nfs/dbraw/zinc/80/12/01/802801201.db2.gz IILSCPFIWRJBKU-ZDUSSCGKSA-N 2 2 290.455 3.196 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc3[nH]ccc3c[nH+]2)c1F ZINC001244857375 803550679 /nfs/dbraw/zinc/55/06/79/803550679.db2.gz YLTOUSXKVSYVEA-UHFFFAOYSA-N 2 2 255.296 3.088 20 0 CGADLP Cc1cc(Cl)ncc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244916071 803575490 /nfs/dbraw/zinc/57/54/90/803575490.db2.gz NRQTULPVKLQYGK-UHFFFAOYSA-N 2 2 298.777 3.045 20 0 CGADLP CC[N@H+](Cc1c[nH]c2cccc(F)c12)C1CC[NH+](C)CC1 ZINC001136984112 803667747 /nfs/dbraw/zinc/66/77/47/803667747.db2.gz FDROVTCPSVHUFB-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2cccc(F)c12)C1CC[NH+](C)CC1 ZINC001136984112 803667748 /nfs/dbraw/zinc/66/77/48/803667748.db2.gz FDROVTCPSVHUFB-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001137158421 803691526 /nfs/dbraw/zinc/69/15/26/803691526.db2.gz ROXLFTGTUQWILQ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001137158421 803691527 /nfs/dbraw/zinc/69/15/27/803691527.db2.gz ROXLFTGTUQWILQ-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC001137170967 803693775 /nfs/dbraw/zinc/69/37/75/803693775.db2.gz PYINSEPWSJWKDF-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC001137170967 803693776 /nfs/dbraw/zinc/69/37/76/803693776.db2.gz PYINSEPWSJWKDF-UHFFFAOYSA-N 2 2 281.831 3.040 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]c1N ZINC001245354316 803710172 /nfs/dbraw/zinc/71/01/72/803710172.db2.gz FYUKVSZUHLBXHA-HNNXBMFYSA-N 2 2 253.349 3.064 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC001137378471 803725620 /nfs/dbraw/zinc/72/56/20/803725620.db2.gz WWOKRFJMJPCIMY-INIZCTEOSA-N 2 2 299.418 3.361 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC001137378471 803725623 /nfs/dbraw/zinc/72/56/23/803725623.db2.gz WWOKRFJMJPCIMY-INIZCTEOSA-N 2 2 299.418 3.361 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccncc1 ZINC001246075675 804114673 /nfs/dbraw/zinc/11/46/73/804114673.db2.gz KFXFNQVWYKRKAT-HHXXYDBFSA-N 2 2 295.430 3.210 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246078128 804116047 /nfs/dbraw/zinc/11/60/47/804116047.db2.gz VECOKLZPVMBQKD-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088193 804120489 /nfs/dbraw/zinc/12/04/89/804120489.db2.gz SASCRHBIVFQOSG-IKGGRYGDSA-N 2 2 278.415 3.078 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246096144 804128398 /nfs/dbraw/zinc/12/83/98/804128398.db2.gz ITEOGGUFTSEZMM-RISCZKNCSA-N 2 2 284.856 3.162 20 0 CGADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246100385 804133250 /nfs/dbraw/zinc/13/32/50/804133250.db2.gz SVDCHTLYGCAAHY-OPQOLIRYSA-N 2 2 290.426 3.078 20 0 CGADLP CC[C@@H]1CC([NH2+]Cc2c(F)cccc2F)C[C@@H](CC)[NH2+]1 ZINC001246100763 804133958 /nfs/dbraw/zinc/13/39/58/804133958.db2.gz UUBPWCDRGWQXQR-VXGBXAGGSA-N 2 2 282.378 3.364 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)cc1 ZINC001246115778 804148305 /nfs/dbraw/zinc/14/83/05/804148305.db2.gz SSOBIJNNSPKRMO-JYJNAYRXSA-N 2 2 292.492 3.453 20 0 CGADLP CCC1CCC(C2CCC([NH2+][C@@H]3COC[C@@H]3[NH3+])CC2)CC1 ZINC001246122937 804153141 /nfs/dbraw/zinc/15/31/41/804153141.db2.gz SWIACMRMAWHIDU-BMJRNUJTSA-N 2 2 294.483 3.077 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246131442 804158092 /nfs/dbraw/zinc/15/80/92/804158092.db2.gz KBTMBUYXGGRSOK-HZMBPMFUSA-N 2 2 299.245 3.266 20 0 CGADLP CCCCCC[C@H](CCC)[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246136680 804160023 /nfs/dbraw/zinc/16/00/23/804160023.db2.gz VQDKFFXLXOUCBP-XYTVBORESA-N 2 2 282.472 3.235 20 0 CGADLP CC[N@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337981 804174993 /nfs/dbraw/zinc/17/49/93/804174993.db2.gz LSMMFUKMTZQVHX-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337981 804174996 /nfs/dbraw/zinc/17/49/96/804174996.db2.gz LSMMFUKMTZQVHX-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCCCO4)cc2)c[nH+]1 ZINC001139356947 804181185 /nfs/dbraw/zinc/18/11/85/804181185.db2.gz UOQKKKKUBDXWGS-SFHVURJKSA-N 2 2 297.402 3.017 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCCCO4)cc2)c[nH+]1 ZINC001139356947 804181187 /nfs/dbraw/zinc/18/11/87/804181187.db2.gz UOQKKKKUBDXWGS-SFHVURJKSA-N 2 2 297.402 3.017 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210208 804208114 /nfs/dbraw/zinc/20/81/14/804208114.db2.gz IQOVHELUXRJMMJ-VXGBXAGGSA-N 2 2 264.800 3.059 20 0 CGADLP c1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC001246230495 804223065 /nfs/dbraw/zinc/22/30/65/804223065.db2.gz MYLQJQITTQYNIN-INIZCTEOSA-N 2 2 258.409 3.188 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001246232447 804225816 /nfs/dbraw/zinc/22/58/16/804225816.db2.gz JBAZVTUOCQJLDE-CYBMUJFWSA-N 2 2 286.341 3.246 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C[NH2+]1 ZINC001246257939 804240819 /nfs/dbraw/zinc/24/08/19/804240819.db2.gz ZGTJGUQAVIJQFE-WKPIXPDZSA-N 2 2 264.800 3.131 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc32)C[C@H](CC)[NH2+]1 ZINC001246278596 804254471 /nfs/dbraw/zinc/25/44/71/804254471.db2.gz LKGIORHQWVCNOB-ORIJERBGSA-N 2 2 292.398 3.158 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246292823 804262062 /nfs/dbraw/zinc/26/20/62/804262062.db2.gz TYODZEZBIFRNLT-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+]C1c2ccccc2Oc2ccccc21 ZINC001246325431 804282832 /nfs/dbraw/zinc/28/28/32/804282832.db2.gz JFAPRTGBAGBYKD-CYBMUJFWSA-N 2 2 282.387 3.469 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246334453 804289279 /nfs/dbraw/zinc/28/92/79/804289279.db2.gz ZIJICGFXPBCUCE-IIAWOOMASA-N 2 2 278.465 3.206 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001139838592 804296203 /nfs/dbraw/zinc/29/62/03/804296203.db2.gz KNEZBWPIQAHRAT-GOSISDBHSA-N 2 2 287.451 3.230 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001139838592 804296207 /nfs/dbraw/zinc/29/62/07/804296207.db2.gz KNEZBWPIQAHRAT-GOSISDBHSA-N 2 2 287.451 3.230 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)cn2)CC1 ZINC001139841152 804296217 /nfs/dbraw/zinc/29/62/17/804296217.db2.gz DUCKPHJCQVXFTD-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cn2)CC1 ZINC001139841152 804296223 /nfs/dbraw/zinc/29/62/23/804296223.db2.gz DUCKPHJCQVXFTD-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)c1 ZINC001246357115 804301944 /nfs/dbraw/zinc/30/19/44/804301944.db2.gz JALNPBTZRNOZRN-CZUORRHYSA-N 2 2 294.414 3.091 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001246364022 804306897 /nfs/dbraw/zinc/30/68/97/804306897.db2.gz RVGAWHSUAOTHSM-BPNCWPANSA-N 2 2 297.240 3.240 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C)cc1C ZINC001246378525 804311611 /nfs/dbraw/zinc/31/16/11/804311611.db2.gz WKRWVHWOSDWPLJ-BFYDXBDKSA-N 2 2 260.425 3.485 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)C[NH2+]1 ZINC001246407403 804324780 /nfs/dbraw/zinc/32/47/80/804324780.db2.gz SIACXAKWUMLALY-LYRGGWFBSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C[NH2+]1 ZINC001246461233 804342010 /nfs/dbraw/zinc/34/20/10/804342010.db2.gz XQWKHDUWDZCNKJ-XOKHGSTOSA-N 2 2 258.409 3.258 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C(C)C)c1 ZINC001246469709 804347797 /nfs/dbraw/zinc/34/77/97/804347797.db2.gz FPEKMMGYNAMNJC-HYVNUMGLSA-N 2 2 260.425 3.422 20 0 CGADLP COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140021996 804352741 /nfs/dbraw/zinc/35/27/41/804352741.db2.gz WUEBYFMAMRKOLU-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP COC[C@@H]1CCCC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140021996 804352750 /nfs/dbraw/zinc/35/27/50/804352750.db2.gz WUEBYFMAMRKOLU-KRWDZBQOSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC001140025992 804354844 /nfs/dbraw/zinc/35/48/44/804354844.db2.gz HWHVVRDTTUUBMI-QGZVFWFLSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001140025992 804354853 /nfs/dbraw/zinc/35/48/53/804354853.db2.gz HWHVVRDTTUUBMI-QGZVFWFLSA-N 2 2 299.418 3.180 20 0 CGADLP CCCO[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028412 804356370 /nfs/dbraw/zinc/35/63/70/804356370.db2.gz VJFDBRRHNKISIO-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP CCCO[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140028412 804356377 /nfs/dbraw/zinc/35/63/77/804356377.db2.gz VJFDBRRHNKISIO-QGZVFWFLSA-N 2 2 299.418 3.182 20 0 CGADLP CSC(C)(C)C[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508568 804366501 /nfs/dbraw/zinc/36/65/01/804366501.db2.gz UCWSDANZSPVPGO-GXTWGEPZSA-N 2 2 266.454 3.196 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246513534 804370207 /nfs/dbraw/zinc/37/02/07/804370207.db2.gz XULCNJNSKQJIFX-YSVLISHTSA-N 2 2 278.440 3.499 20 0 CGADLP CCCC(CCC)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246526337 804379929 /nfs/dbraw/zinc/37/99/29/804379929.db2.gz PRCMNMCKGDJVEY-INIZCTEOSA-N 2 2 292.423 3.031 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526979 804380218 /nfs/dbraw/zinc/38/02/18/804380218.db2.gz CSSYHIGJFZTOOW-SMDDNHRTSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246526979 804380226 /nfs/dbraw/zinc/38/02/26/804380226.db2.gz CSSYHIGJFZTOOW-SMDDNHRTSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538132 804388809 /nfs/dbraw/zinc/38/88/09/804388809.db2.gz GLYCEMVYPHDADJ-XJKSGUPXSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246538132 804388817 /nfs/dbraw/zinc/38/88/17/804388817.db2.gz GLYCEMVYPHDADJ-XJKSGUPXSA-N 2 2 278.827 3.011 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246542992 804390893 /nfs/dbraw/zinc/39/08/93/804390893.db2.gz QWBLUEXSHXHXIE-GOEBONIOSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246542992 804390900 /nfs/dbraw/zinc/39/09/00/804390900.db2.gz QWBLUEXSHXHXIE-GOEBONIOSA-N 2 2 278.465 3.289 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246543193 804391845 /nfs/dbraw/zinc/39/18/45/804391845.db2.gz SJYDJLJFHLDWQL-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001246543193 804391852 /nfs/dbraw/zinc/39/18/52/804391852.db2.gz SJYDJLJFHLDWQL-IUODEOHRSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246543748 804392848 /nfs/dbraw/zinc/39/28/48/804392848.db2.gz TXICTKWNFAJCFY-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246543748 804392858 /nfs/dbraw/zinc/39/28/58/804392858.db2.gz TXICTKWNFAJCFY-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560172 804407923 /nfs/dbraw/zinc/40/79/23/804407923.db2.gz UUCYPBNIPMRGFM-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560172 804407927 /nfs/dbraw/zinc/40/79/27/804407927.db2.gz UUCYPBNIPMRGFM-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571500 804419701 /nfs/dbraw/zinc/41/97/01/804419701.db2.gz UTBBTJWHGTXBIK-VHDGCEQUSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571500 804419705 /nfs/dbraw/zinc/41/97/05/804419705.db2.gz UTBBTJWHGTXBIK-VHDGCEQUSA-N 2 2 292.854 3.257 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@](F)(C[NH3+])C1)CC2 ZINC001246585122 804428597 /nfs/dbraw/zinc/42/85/97/804428597.db2.gz YRLUEBOHOLUBRJ-MSOLQXFVSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@](F)(C[NH3+])C1)CC2 ZINC001246585122 804428603 /nfs/dbraw/zinc/42/86/03/804428603.db2.gz YRLUEBOHOLUBRJ-MSOLQXFVSA-N 2 2 290.426 3.005 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246620294 804454186 /nfs/dbraw/zinc/45/41/86/804454186.db2.gz RITISQOZXZLLQL-CHEUSRNYSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C ZINC001246620294 804454189 /nfs/dbraw/zinc/45/41/89/804454189.db2.gz RITISQOZXZLLQL-CHEUSRNYSA-N 2 2 284.447 3.382 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620031 804454214 /nfs/dbraw/zinc/45/42/14/804454214.db2.gz PNIJDMQNPLUKEX-DHXZDTOLSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246620031 804454215 /nfs/dbraw/zinc/45/42/15/804454215.db2.gz PNIJDMQNPLUKEX-DHXZDTOLSA-N 2 2 270.420 3.136 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645511 804472690 /nfs/dbraw/zinc/47/26/90/804472690.db2.gz BVSKRFFEDJPMMK-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645511 804472692 /nfs/dbraw/zinc/47/26/92/804472692.db2.gz BVSKRFFEDJPMMK-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CCCCC[C@H](CCC)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647825 804475867 /nfs/dbraw/zinc/47/58/67/804475867.db2.gz JRXADTOZSORFLJ-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC[C@H](CCC)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246647825 804475871 /nfs/dbraw/zinc/47/58/71/804475871.db2.gz JRXADTOZSORFLJ-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP CCCC(CCC)[N@@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246652836 804479201 /nfs/dbraw/zinc/47/92/01/804479201.db2.gz KNJMCKPNTPSPSC-UHFFFAOYSA-N 2 2 274.399 3.418 20 0 CGADLP CCCC(CCC)[N@H+]1CC(F)(F)CC12CC[NH2+]CC2 ZINC001246652836 804479204 /nfs/dbraw/zinc/47/92/04/804479204.db2.gz KNJMCKPNTPSPSC-UHFFFAOYSA-N 2 2 274.399 3.418 20 0 CGADLP Fc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246802832 804523333 /nfs/dbraw/zinc/52/33/33/804523333.db2.gz XHKWBFLODSMHSK-HZPDHXFCSA-N 2 2 262.372 3.105 20 0 CGADLP Fc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCCC[NH2+]C2)c1 ZINC001246802832 804523339 /nfs/dbraw/zinc/52/33/39/804523339.db2.gz XHKWBFLODSMHSK-HZPDHXFCSA-N 2 2 262.372 3.105 20 0 CGADLP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(Cl)nc1 ZINC001140805149 804524848 /nfs/dbraw/zinc/52/48/48/804524848.db2.gz UBMVEYVEBYFFEW-UHFFFAOYSA-N 2 2 286.766 3.243 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(Cl)nc1 ZINC001140805149 804524851 /nfs/dbraw/zinc/52/48/51/804524851.db2.gz UBMVEYVEBYFFEW-UHFFFAOYSA-N 2 2 286.766 3.243 20 0 CGADLP C1CC12CCCC[N@@H+]2[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848967 804559846 /nfs/dbraw/zinc/55/98/46/804559846.db2.gz YNUZHDQCDSJHKZ-HNNXBMFYSA-N 2 2 262.441 3.460 20 0 CGADLP C1CC12CCCC[N@H+]2[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848967 804559853 /nfs/dbraw/zinc/55/98/53/804559853.db2.gz YNUZHDQCDSJHKZ-HNNXBMFYSA-N 2 2 262.441 3.460 20 0 CGADLP c1ccc(SC2CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246876273 804574192 /nfs/dbraw/zinc/57/41/92/804574192.db2.gz NWRPFZVJIBIDIT-OAHLLOKOSA-N 2 2 290.476 3.385 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(Sc3ccccc3)CC2)C[NH2+]1 ZINC001246874069 804574796 /nfs/dbraw/zinc/57/47/96/804574796.db2.gz IAPLMHGUNXVPHN-HUUCEWRRSA-N 2 2 290.476 3.384 20 0 CGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCCOC3)CC2)c[nH+]1 ZINC001141071504 804585781 /nfs/dbraw/zinc/58/57/81/804585781.db2.gz ROQPBYLRFSIYAN-UHFFFAOYSA-N 2 2 291.439 3.145 20 0 CGADLP CCOC1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246982279 804627733 /nfs/dbraw/zinc/62/77/33/804627733.db2.gz YNWLATFETNFCPT-LXPRWKDFSA-N 2 2 294.483 3.331 20 0 CGADLP CCOC1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246982279 804627738 /nfs/dbraw/zinc/62/77/38/804627738.db2.gz YNWLATFETNFCPT-LXPRWKDFSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1ccc2c(c1)[nH+]c(CCCCC[NH3+])n2CC1CC1 ZINC001247046747 804651524 /nfs/dbraw/zinc/65/15/24/804651524.db2.gz OTONFQGRJATSFW-UHFFFAOYSA-N 2 2 271.408 3.426 20 0 CGADLP CC(C)COc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165300402 806990451 /nfs/dbraw/zinc/99/04/51/806990451.db2.gz NQOONKVWFFNJSA-HNNXBMFYSA-N 2 2 291.439 3.260 20 0 CGADLP CC(C)COc1cc(NCC[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC001165300402 806990444 /nfs/dbraw/zinc/99/04/44/806990444.db2.gz NQOONKVWFFNJSA-HNNXBMFYSA-N 2 2 291.439 3.260 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC001143253006 804828441 /nfs/dbraw/zinc/82/84/41/804828441.db2.gz KUNWTIMFPNXUBV-GDBMZVCRSA-N 2 2 280.362 3.008 20 0 CGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC001143253006 804828448 /nfs/dbraw/zinc/82/84/48/804828448.db2.gz KUNWTIMFPNXUBV-GDBMZVCRSA-N 2 2 280.362 3.008 20 0 CGADLP Cc1cc2cc(NCC[C@H]3CCC[N@@H+](C)C3)[nH+]cc2[nH]1 ZINC001165259892 806981993 /nfs/dbraw/zinc/98/19/93/806981993.db2.gz BODOFJONBFYAMD-CYBMUJFWSA-N 2 2 272.396 3.015 20 0 CGADLP Cc1cc2cc(NCC[C@H]3CCC[N@H+](C)C3)[nH+]cc2[nH]1 ZINC001165259892 806981996 /nfs/dbraw/zinc/98/19/96/806981996.db2.gz BODOFJONBFYAMD-CYBMUJFWSA-N 2 2 272.396 3.015 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257821928 807222614 /nfs/dbraw/zinc/22/26/14/807222614.db2.gz RDYKYVQHSOBZRF-FAEJEUNOSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001257875417 807234025 /nfs/dbraw/zinc/23/40/25/807234025.db2.gz NXKTVDPXKZCWCS-CGZBRXJRSA-N 2 2 296.499 3.433 20 0 CGADLP CC(C)OC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001257875417 807234028 /nfs/dbraw/zinc/23/40/28/807234028.db2.gz NXKTVDPXKZCWCS-CGZBRXJRSA-N 2 2 296.499 3.433 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001258016486 807266942 /nfs/dbraw/zinc/26/69/42/807266942.db2.gz IVZCFRYOFAZVBX-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001258016486 807266946 /nfs/dbraw/zinc/26/69/46/807266946.db2.gz IVZCFRYOFAZVBX-DOTOQJQBSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258060320 807281642 /nfs/dbraw/zinc/28/16/42/807281642.db2.gz HORDUFPUOYDEOI-ZACQAIPSSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258060320 807281646 /nfs/dbraw/zinc/28/16/46/807281646.db2.gz HORDUFPUOYDEOI-ZACQAIPSSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1[nH+]cn([C@H]2C[C@H](C)C[C@H](C)C2)c1CSCC[NH3+] ZINC001258152733 807322318 /nfs/dbraw/zinc/32/23/18/807322318.db2.gz CAYGWXFCNQLCEO-IMRBUKKESA-N 2 2 281.469 3.381 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168183037 807336388 /nfs/dbraw/zinc/33/63/88/807336388.db2.gz NCNAXBSRGFNWMO-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168183037 807336396 /nfs/dbraw/zinc/33/63/96/807336396.db2.gz NCNAXBSRGFNWMO-LBPRGKRZSA-N 2 2 289.810 3.292 20 0 CGADLP CSCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258207815 807365372 /nfs/dbraw/zinc/36/53/72/807365372.db2.gz ACQQDCYCTLYOOR-KKUMJFAQSA-N 2 2 293.480 3.300 20 0 CGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC001168366746 807395317 /nfs/dbraw/zinc/39/53/17/807395317.db2.gz ZHBQLOKCOCIHSM-UHFFFAOYSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CC1C[NH+](C)C1 ZINC001258300881 807404444 /nfs/dbraw/zinc/40/44/44/807404444.db2.gz YGEFKCVGBRRTLP-ZDUSSCGKSA-N 2 2 296.480 3.221 20 0 CGADLP CCC1(Nc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)C[NH2+]C1 ZINC001168582092 807452107 /nfs/dbraw/zinc/45/21/07/807452107.db2.gz HTKVZFIGDCBRKL-UHFFFAOYSA-N 2 2 292.386 3.394 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001168684719 807477986 /nfs/dbraw/zinc/47/79/86/807477986.db2.gz KRMBPDOQXSTHOM-OAHLLOKOSA-N 2 2 292.854 3.273 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCC(C)(C)C2)c1CSCC[NH3+] ZINC001258596423 807495550 /nfs/dbraw/zinc/49/55/50/807495550.db2.gz ZRRSSMWMYYEPAN-GFCCVEGCSA-N 2 2 267.442 3.135 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690162 807546158 /nfs/dbraw/zinc/54/61/58/807546158.db2.gz PAAHIVKFIIIZNB-KBMXLJTQSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC(C)(C)C1 ZINC001258690162 807546160 /nfs/dbraw/zinc/54/61/60/807546160.db2.gz PAAHIVKFIIIZNB-KBMXLJTQSA-N 2 2 264.457 3.275 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169112858 807581426 /nfs/dbraw/zinc/58/14/26/807581426.db2.gz TZTGEVHRMCSENV-QDMKHBRRSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169112858 807581429 /nfs/dbraw/zinc/58/14/29/807581429.db2.gz TZTGEVHRMCSENV-QDMKHBRRSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258742289 807585770 /nfs/dbraw/zinc/58/57/70/807585770.db2.gz VHMCCPGOEJCCKA-CJNGLKHVSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258742289 807585773 /nfs/dbraw/zinc/58/57/73/807585773.db2.gz VHMCCPGOEJCCKA-CJNGLKHVSA-N 2 2 292.854 3.487 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001258810035 807629243 /nfs/dbraw/zinc/62/92/43/807629243.db2.gz GXUGDFHWDASFIT-WBVHZDCISA-N 2 2 287.451 3.466 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)C1 ZINC001258830202 807645969 /nfs/dbraw/zinc/64/59/69/807645969.db2.gz KTDZCDOWXPRUOJ-NUEKZKHPSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)C1 ZINC001258830202 807645974 /nfs/dbraw/zinc/64/59/74/807645974.db2.gz KTDZCDOWXPRUOJ-NUEKZKHPSA-N 2 2 274.408 3.422 20 0 CGADLP CNc1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c[nH+]1 ZINC001169696182 807689271 /nfs/dbraw/zinc/68/92/71/807689271.db2.gz KCXNQSLECNHBKM-OAHLLOKOSA-N 2 2 282.391 3.363 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001170131696 807770247 /nfs/dbraw/zinc/77/02/47/807770247.db2.gz KEPDVCNIQJWYSF-KGLIPLIRSA-N 2 2 260.381 3.113 20 0 CGADLP Cc1[nH+]cn([C@@H](C)Cc2ccccc2Cl)c1CC[NH3+] ZINC001170250276 807804773 /nfs/dbraw/zinc/80/47/73/807804773.db2.gz JGBSBNFAYJTROR-NSHDSACASA-N 2 2 277.799 3.150 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170274823 807811733 /nfs/dbraw/zinc/81/17/33/807811733.db2.gz CUAFGEXHAOBRTC-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170274823 807811740 /nfs/dbraw/zinc/81/17/40/807811740.db2.gz CUAFGEXHAOBRTC-GFCCVEGCSA-N 2 2 289.810 3.292 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724070 807886140 /nfs/dbraw/zinc/88/61/40/807886140.db2.gz CHYMYSHGQBXICO-FPCVCCKLSA-N 2 2 264.457 3.131 20 0 CGADLP CC(C)c1cc(NC[C@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC001171328911 808028451 /nfs/dbraw/zinc/02/84/51/808028451.db2.gz CWXQHKYQZODJTP-CYBMUJFWSA-N 2 2 276.428 3.277 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637443 808109963 /nfs/dbraw/zinc/10/99/63/808109963.db2.gz NSQTWEIPFSRZOL-UHFFFAOYSA-N 3 2 295.515 3.056 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171637443 808109968 /nfs/dbraw/zinc/10/99/68/808109968.db2.gz NSQTWEIPFSRZOL-UHFFFAOYSA-N 3 2 295.515 3.056 20 0 CGADLP C[N@H+](Cc1cnc(Cl)s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116633 808179772 /nfs/dbraw/zinc/17/97/72/808179772.db2.gz BNEJZVDPBNPLQY-ZSBIGDGJSA-N 2 2 299.871 3.244 20 0 CGADLP C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172116633 808179778 /nfs/dbraw/zinc/17/97/78/808179778.db2.gz BNEJZVDPBNPLQY-ZSBIGDGJSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172116633 808179781 /nfs/dbraw/zinc/17/97/81/808179781.db2.gz BNEJZVDPBNPLQY-ZSBIGDGJSA-N 2 2 299.871 3.244 20 0 CGADLP C[NH+](Cc1cnc(Cl)s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116633 808179784 /nfs/dbraw/zinc/17/97/84/808179784.db2.gz BNEJZVDPBNPLQY-ZSBIGDGJSA-N 2 2 299.871 3.244 20 0 CGADLP C[C@@H]1CC[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C[C@H]1C ZINC001172372987 808266663 /nfs/dbraw/zinc/26/66/63/808266663.db2.gz IMRHVXRXWCGZCX-KURKYZTESA-N 3 2 297.531 3.017 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405508 808293347 /nfs/dbraw/zinc/29/33/47/808293347.db2.gz YPKIKUOPTXVZOJ-HRCADAONSA-N 2 2 270.436 3.319 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001172405508 808293351 /nfs/dbraw/zinc/29/33/51/808293351.db2.gz YPKIKUOPTXVZOJ-HRCADAONSA-N 2 2 270.436 3.319 20 0 CGADLP Cc1[nH+]cn([C@@H]2CC[C@@H](c3ccccc3)C2)c1CC[NH3+] ZINC001172545825 808376358 /nfs/dbraw/zinc/37/63/58/808376358.db2.gz GTUKRKZBEUCBSY-HZPDHXFCSA-N 2 2 269.392 3.202 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001172716705 808416669 /nfs/dbraw/zinc/41/66/69/808416669.db2.gz NWUUKZQNIBSSHH-HOTGVXAUSA-N 2 2 290.838 3.024 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001172716705 808416670 /nfs/dbraw/zinc/41/66/70/808416670.db2.gz NWUUKZQNIBSSHH-HOTGVXAUSA-N 2 2 290.838 3.024 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001172873114 808472346 /nfs/dbraw/zinc/47/23/46/808472346.db2.gz GDDWUQFUTIXCFS-NEPJUHHUSA-N 2 2 286.872 3.360 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173267495 808572039 /nfs/dbraw/zinc/57/20/39/808572039.db2.gz MLEUHQFXFLDCRE-NVXWUHKLSA-N 2 2 287.451 3.466 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001173278343 808581379 /nfs/dbraw/zinc/58/13/79/808581379.db2.gz YZLVQUIOKZZVNM-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001173278343 808581381 /nfs/dbraw/zinc/58/13/81/808581381.db2.gz YZLVQUIOKZZVNM-KKUMJFAQSA-N 2 2 252.446 3.275 20 0 CGADLP COc1ccc2[nH+]c(N)n(-c3cc[nH+]c4ccccc43)c2c1 ZINC001174036653 808834483 /nfs/dbraw/zinc/83/44/83/808834483.db2.gz BFHYMYJHANYVJC-UHFFFAOYSA-N 2 2 290.326 3.165 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(C[NH+](CC)C2)C1 ZINC001275085650 808906783 /nfs/dbraw/zinc/90/67/83/808906783.db2.gz ZVVPGDGHXARYQG-HNNXBMFYSA-N 2 2 252.446 3.230 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC2(C[NH+](CC)C2)C1 ZINC001275085650 808906789 /nfs/dbraw/zinc/90/67/89/808906789.db2.gz ZVVPGDGHXARYQG-HNNXBMFYSA-N 2 2 252.446 3.230 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001275245347 808923051 /nfs/dbraw/zinc/92/30/51/808923051.db2.gz DWKHHIGRKJTBFY-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3F)C2)C1 ZINC001275245347 808923057 /nfs/dbraw/zinc/92/30/57/808923057.db2.gz DWKHHIGRKJTBFY-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC001275245347 808923062 /nfs/dbraw/zinc/92/30/62/808923062.db2.gz DWKHHIGRKJTBFY-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001275245347 808923069 /nfs/dbraw/zinc/92/30/69/808923069.db2.gz DWKHHIGRKJTBFY-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP CC(C)(C)c1cc(-n2c[nH+]c3cccc(N)c32)cc[nH+]1 ZINC001213166509 815248675 /nfs/dbraw/zinc/24/86/75/815248675.db2.gz FYCZDJJGDHPZKG-UHFFFAOYSA-N 2 2 266.348 3.300 20 0 CGADLP Cc1c[nH+]c(Nc2cc[nH+]c(C(C)(C)C)c2)c(N)c1 ZINC001213163231 815249163 /nfs/dbraw/zinc/24/91/63/815249163.db2.gz ZDTUWOXVOHTTRN-UHFFFAOYSA-N 2 2 256.353 3.408 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(Cl)c1 ZINC001276003955 808983503 /nfs/dbraw/zinc/98/35/03/808983503.db2.gz UEDBDNAJWRSZTI-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(Cl)c1 ZINC001276003955 808983509 /nfs/dbraw/zinc/98/35/09/808983509.db2.gz UEDBDNAJWRSZTI-GOOCMWNKSA-N 2 2 278.827 3.363 20 0 CGADLP COc1cc[nH+]cc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001176121592 809627948 /nfs/dbraw/zinc/62/79/48/809627948.db2.gz ZCDJNQIYIGPHNC-UHFFFAOYSA-N 2 2 297.402 3.472 20 0 CGADLP Cc1cc[nH+]c(C(C)C)c1Nc1cnn(CC[NH+](C)C)c1 ZINC001176446227 809700495 /nfs/dbraw/zinc/70/04/95/809700495.db2.gz RZWXZFUQXJWFAR-UHFFFAOYSA-N 2 2 287.411 3.015 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001177328621 809794067 /nfs/dbraw/zinc/79/40/67/809794067.db2.gz PYXCPKWERPTZGP-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001198791256 811543301 /nfs/dbraw/zinc/54/33/01/811543301.db2.gz UKFXBNBZWJCZIX-CQSZACIVSA-N 2 2 261.413 3.228 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001198791256 811543311 /nfs/dbraw/zinc/54/33/11/811543311.db2.gz UKFXBNBZWJCZIX-CQSZACIVSA-N 2 2 261.413 3.228 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(C)n1 ZINC001199896060 811605816 /nfs/dbraw/zinc/60/58/16/811605816.db2.gz IFHAFDACRRGMCZ-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001200631046 811720939 /nfs/dbraw/zinc/72/09/39/811720939.db2.gz OZICJDUMSXECGC-NWDGAFQWSA-N 2 2 263.410 3.458 20 0 CGADLP c1cc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC001201408881 811835119 /nfs/dbraw/zinc/83/51/19/811835119.db2.gz LLQBKSMMHPAAHC-HNNXBMFYSA-N 2 2 272.392 3.281 20 0 CGADLP COCC[N@H+](C[C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201489877 811862900 /nfs/dbraw/zinc/86/29/00/811862900.db2.gz HRFJBACHAQLGQA-QGZVFWFLSA-N 2 2 296.499 3.412 20 0 CGADLP COCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201489877 811862906 /nfs/dbraw/zinc/86/29/06/811862906.db2.gz HRFJBACHAQLGQA-QGZVFWFLSA-N 2 2 296.499 3.412 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001201672331 811933956 /nfs/dbraw/zinc/93/39/56/811933956.db2.gz UZWSSNOGEJJLGR-GOSISDBHSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001201672331 811933960 /nfs/dbraw/zinc/93/39/60/811933960.db2.gz UZWSSNOGEJJLGR-GOSISDBHSA-N 2 2 296.414 3.476 20 0 CGADLP CCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201750255 811956177 /nfs/dbraw/zinc/95/61/77/811956177.db2.gz ISZCVPLHCQDJAV-IRXDYDNUSA-N 2 2 287.451 3.026 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001202281889 812056227 /nfs/dbraw/zinc/05/62/27/812056227.db2.gz WNUNUJSSYWNDKT-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001202281889 812056234 /nfs/dbraw/zinc/05/62/34/812056234.db2.gz WNUNUJSSYWNDKT-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP Cc1occc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001203470310 812371922 /nfs/dbraw/zinc/37/19/22/812371922.db2.gz DTKUDADKUWDWRK-QGZVFWFLSA-N 2 2 281.359 3.316 20 0 CGADLP Cc1c[nH+]c(C)c(Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001203660415 812418749 /nfs/dbraw/zinc/41/87/49/812418749.db2.gz JFSGJRJELQUJMZ-UHFFFAOYSA-N 2 2 296.418 3.194 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC001203694004 812430572 /nfs/dbraw/zinc/43/05/72/812430572.db2.gz UVHFVTRACAYDPE-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)(F)F ZINC001203694004 812430575 /nfs/dbraw/zinc/43/05/75/812430575.db2.gz UVHFVTRACAYDPE-UHFFFAOYSA-N 2 2 297.324 3.424 20 0 CGADLP Cc1ccsc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001204018336 812521354 /nfs/dbraw/zinc/52/13/54/812521354.db2.gz TWZYHXGEWKLKLX-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP c1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)ccnc2c1 ZINC001204081872 812542942 /nfs/dbraw/zinc/54/29/42/812542942.db2.gz LBOSWJBRCQHDNZ-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001204168219 812563175 /nfs/dbraw/zinc/56/31/75/812563175.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001204168219 812563180 /nfs/dbraw/zinc/56/31/80/812563180.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001204168219 812563186 /nfs/dbraw/zinc/56/31/86/812563186.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001204168219 812563191 /nfs/dbraw/zinc/56/31/91/812563191.db2.gz KLNASFTXXMKPNR-MSOLQXFVSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)oc1C ZINC001204541992 812674181 /nfs/dbraw/zinc/67/41/81/812674181.db2.gz QWZGXDYPOFXVPO-OAHLLOKOSA-N 2 2 286.375 3.253 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204933023 812781823 /nfs/dbraw/zinc/78/18/23/812781823.db2.gz PSJUBRQUGVOJJA-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC001204933023 812781830 /nfs/dbraw/zinc/78/18/30/812781830.db2.gz PSJUBRQUGVOJJA-SFHVURJKSA-N 2 2 295.430 3.370 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001205016225 812825763 /nfs/dbraw/zinc/82/57/63/812825763.db2.gz HAXACXMHTLFDTF-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001205016225 812825775 /nfs/dbraw/zinc/82/57/75/812825775.db2.gz HAXACXMHTLFDTF-CQSZACIVSA-N 2 2 294.414 3.044 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205263952 812921661 /nfs/dbraw/zinc/92/16/61/812921661.db2.gz GFVUPLDIIVXOLI-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205263952 812921668 /nfs/dbraw/zinc/92/16/68/812921668.db2.gz GFVUPLDIIVXOLI-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205326496 812956011 /nfs/dbraw/zinc/95/60/11/812956011.db2.gz ZUNCXDWWMKYNIU-MRXNPFEDSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC001205326496 812956017 /nfs/dbraw/zinc/95/60/17/812956017.db2.gz ZUNCXDWWMKYNIU-MRXNPFEDSA-N 2 2 290.451 3.439 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650342 813040292 /nfs/dbraw/zinc/04/02/92/813040292.db2.gz KEKNSOXYYWGVLA-ZIAGYGMSSA-N 2 2 254.462 3.379 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650342 813040299 /nfs/dbraw/zinc/04/02/99/813040299.db2.gz KEKNSOXYYWGVLA-ZIAGYGMSSA-N 2 2 254.462 3.379 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650341 813040335 /nfs/dbraw/zinc/04/03/35/813040335.db2.gz KEKNSOXYYWGVLA-UONOGXRCSA-N 2 2 254.462 3.379 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C ZINC001205650341 813040341 /nfs/dbraw/zinc/04/03/41/813040341.db2.gz KEKNSOXYYWGVLA-UONOGXRCSA-N 2 2 254.462 3.379 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856212 813109718 /nfs/dbraw/zinc/10/97/18/813109718.db2.gz TUYQZVNLSIGYEB-YOEHRIQHSA-N 2 2 290.451 3.341 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856212 813109721 /nfs/dbraw/zinc/10/97/21/813109721.db2.gz TUYQZVNLSIGYEB-YOEHRIQHSA-N 2 2 290.451 3.341 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205937998 813140370 /nfs/dbraw/zinc/14/03/70/813140370.db2.gz DMAJJIAKSFWZRA-CQSZACIVSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205937998 813140373 /nfs/dbraw/zinc/14/03/73/813140373.db2.gz DMAJJIAKSFWZRA-CQSZACIVSA-N 2 2 264.438 3.112 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205938873 813141895 /nfs/dbraw/zinc/14/18/95/813141895.db2.gz LUGDWQYZLOWNIR-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205938873 813141899 /nfs/dbraw/zinc/14/18/99/813141899.db2.gz LUGDWQYZLOWNIR-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP Nc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)cc[nH+]1 ZINC001206522324 813341094 /nfs/dbraw/zinc/34/10/94/813341094.db2.gz KZFQROLNUSCGIB-UHFFFAOYSA-N 2 2 270.723 3.031 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001206550050 813347829 /nfs/dbraw/zinc/34/78/29/813347829.db2.gz UFZBJKOOSBPYAT-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001206550050 813347836 /nfs/dbraw/zinc/34/78/36/813347836.db2.gz UFZBJKOOSBPYAT-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP COc1ccc(C2=CC[N@H+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC001206795576 813438050 /nfs/dbraw/zinc/43/80/50/813438050.db2.gz HKCDBADYIWKZIL-UHFFFAOYSA-N 2 2 297.402 3.026 20 0 CGADLP COc1ccc(C2=CC[N@@H+](Cc3c[nH+]c(C)n3C)CC2)cc1 ZINC001206795576 813438054 /nfs/dbraw/zinc/43/80/54/813438054.db2.gz HKCDBADYIWKZIL-UHFFFAOYSA-N 2 2 297.402 3.026 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618563 813777496 /nfs/dbraw/zinc/77/74/96/813777496.db2.gz ZALFNFUXAJPNQE-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618563 813777499 /nfs/dbraw/zinc/77/74/99/813777499.db2.gz ZALFNFUXAJPNQE-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618563 813777503 /nfs/dbraw/zinc/77/75/03/813777503.db2.gz ZALFNFUXAJPNQE-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618563 813777508 /nfs/dbraw/zinc/77/75/08/813777508.db2.gz ZALFNFUXAJPNQE-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001208697818 813803006 /nfs/dbraw/zinc/80/30/06/813803006.db2.gz AJNURPUWPSZAST-INIZCTEOSA-N 2 2 274.408 3.423 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001208697818 813803015 /nfs/dbraw/zinc/80/30/15/813803015.db2.gz AJNURPUWPSZAST-INIZCTEOSA-N 2 2 274.408 3.423 20 0 CGADLP COc1cc(C)[nH+]cc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242691630 823101257 /nfs/dbraw/zinc/10/12/57/823101257.db2.gz FEDHYDYHWVOALN-HNNXBMFYSA-N 2 2 272.392 3.430 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1C(C)C ZINC001210496554 814490232 /nfs/dbraw/zinc/49/02/32/814490232.db2.gz IERBWNGVGNIKDE-OAHLLOKOSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1C(C)C ZINC001210496554 814490235 /nfs/dbraw/zinc/49/02/35/814490235.db2.gz IERBWNGVGNIKDE-OAHLLOKOSA-N 2 2 290.451 3.311 20 0 CGADLP C[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC[NH2+]1 ZINC001210499982 814491261 /nfs/dbraw/zinc/49/12/61/814491261.db2.gz XYDILHAZSNQUHC-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)CC[NH2+]1 ZINC001210499982 814491263 /nfs/dbraw/zinc/49/12/63/814491263.db2.gz XYDILHAZSNQUHC-ZDUSSCGKSA-N 2 2 287.382 3.005 20 0 CGADLP Cc1cc[nH+]c(NC2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001210705150 814590057 /nfs/dbraw/zinc/59/00/57/814590057.db2.gz PPWPIHXRTYAULU-HNNXBMFYSA-N 2 2 257.381 3.334 20 0 CGADLP Cc1ccc(Nc2ccc(CC[NH+](C)C)cc2)[nH+]c1 ZINC001211012533 814707629 /nfs/dbraw/zinc/70/76/29/814707629.db2.gz HRXISDRTDJEEAA-UHFFFAOYSA-N 2 2 255.365 3.238 20 0 CGADLP C[NH2+]Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC001211131484 814756972 /nfs/dbraw/zinc/75/69/72/814756972.db2.gz WSVUQJAHNJFAFP-UHFFFAOYSA-N 2 2 266.348 3.036 20 0 CGADLP Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222142237 816359991 /nfs/dbraw/zinc/35/99/91/816359991.db2.gz YMVKZOBPSWKWNN-AWEZNQCLSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC001222142237 816359994 /nfs/dbraw/zinc/35/99/94/816359994.db2.gz YMVKZOBPSWKWNN-AWEZNQCLSA-N 2 2 284.856 3.285 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161627 816365637 /nfs/dbraw/zinc/36/56/37/816365637.db2.gz QHQCWRWFORGZBP-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)n1 ZINC001222161627 816365645 /nfs/dbraw/zinc/36/56/45/816365645.db2.gz QHQCWRWFORGZBP-MRXNPFEDSA-N 2 2 293.480 3.197 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192477 816371877 /nfs/dbraw/zinc/37/18/77/816371877.db2.gz WBLMYVYMYGKIDA-XIRDDKMYSA-N 2 2 290.838 3.271 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192477 816371882 /nfs/dbraw/zinc/37/18/82/816371882.db2.gz WBLMYVYMYGKIDA-XIRDDKMYSA-N 2 2 290.838 3.271 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192476 816372230 /nfs/dbraw/zinc/37/22/30/816372230.db2.gz WBLMYVYMYGKIDA-PVAVHDDUSA-N 2 2 290.838 3.271 20 0 CGADLP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192476 816372242 /nfs/dbraw/zinc/37/22/42/816372242.db2.gz WBLMYVYMYGKIDA-PVAVHDDUSA-N 2 2 290.838 3.271 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277418 816393864 /nfs/dbraw/zinc/39/38/64/816393864.db2.gz NRYMCEKFDCVPNA-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]3)C2)cc1 ZINC001222277418 816393870 /nfs/dbraw/zinc/39/38/70/816393870.db2.gz NRYMCEKFDCVPNA-SFHVURJKSA-N 2 2 272.436 3.180 20 0 CGADLP COc1ccc2cc(C[NH+]3CC4(C3)CCC[NH2+]C4)ccc2c1 ZINC001222335377 816411081 /nfs/dbraw/zinc/41/10/81/816411081.db2.gz JPDDLVJZEPPRQL-UHFFFAOYSA-N 2 2 296.414 3.034 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)sc1C ZINC001222353816 816418078 /nfs/dbraw/zinc/41/80/78/816418078.db2.gz IFEZWNHERZYQOR-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)sc1C ZINC001222353816 816418081 /nfs/dbraw/zinc/41/80/81/816418081.db2.gz IFEZWNHERZYQOR-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP c1ccc(-c2cccc(C[NH+]3CC4(C3)CC[NH2+]C4)c2)cc1 ZINC001222380039 816423537 /nfs/dbraw/zinc/42/35/37/816423537.db2.gz QWHSNMYBWHRSMX-UHFFFAOYSA-N 2 2 278.399 3.149 20 0 CGADLP Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc12 ZINC001222427584 816442331 /nfs/dbraw/zinc/44/23/31/816442331.db2.gz SWPZJNRYLDFJHP-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2ccccc12 ZINC001222427584 816442334 /nfs/dbraw/zinc/44/23/34/816442334.db2.gz SWPZJNRYLDFJHP-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222471820 816452803 /nfs/dbraw/zinc/45/28/03/816452803.db2.gz YZMDGXVFPWPOIO-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP CCc1cccc2c(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222471820 816452808 /nfs/dbraw/zinc/45/28/08/816452808.db2.gz YZMDGXVFPWPOIO-GOSISDBHSA-N 2 2 283.419 3.058 20 0 CGADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620476 816480646 /nfs/dbraw/zinc/48/06/46/816480646.db2.gz URJBLGGHRWNMFI-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620476 816480652 /nfs/dbraw/zinc/48/06/52/816480652.db2.gz URJBLGGHRWNMFI-SMDDNHRTSA-N 2 2 296.867 3.246 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222624324 816482506 /nfs/dbraw/zinc/48/25/06/816482506.db2.gz XKMAXAMMNJHPQO-XHDPSFHLSA-N 2 2 299.245 3.486 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222624324 816482512 /nfs/dbraw/zinc/48/25/12/816482512.db2.gz XKMAXAMMNJHPQO-XHDPSFHLSA-N 2 2 299.245 3.486 20 0 CGADLP C[NH2+]Cc1cccc(-c2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001242998072 823205210 /nfs/dbraw/zinc/20/52/10/823205210.db2.gz BTPQYVFBESKASD-UHFFFAOYSA-N 2 2 277.371 3.474 20 0 CGADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232083283 818249410 /nfs/dbraw/zinc/24/94/10/818249410.db2.gz XECBSRSHOPJXLB-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232083283 818249415 /nfs/dbraw/zinc/24/94/15/818249415.db2.gz XECBSRSHOPJXLB-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP CSc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001232330508 818316355 /nfs/dbraw/zinc/31/63/55/818316355.db2.gz FQXGNGOZNSDFCF-UHFFFAOYSA-N 2 2 293.480 3.108 20 0 CGADLP CSc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cn1 ZINC001232330508 818316360 /nfs/dbraw/zinc/31/63/60/818316360.db2.gz FQXGNGOZNSDFCF-UHFFFAOYSA-N 2 2 293.480 3.108 20 0 CGADLP Cc1c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccnc1Cl ZINC001232755554 818434107 /nfs/dbraw/zinc/43/41/07/818434107.db2.gz UVIZKMQOYVDQBN-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccnc1Cl ZINC001232755554 818434110 /nfs/dbraw/zinc/43/41/10/818434110.db2.gz UVIZKMQOYVDQBN-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C1CC1 ZINC001235002799 818974976 /nfs/dbraw/zinc/97/49/76/818974976.db2.gz XLJMVAUFNVQLHL-SFHVURJKSA-N 2 2 288.410 3.279 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C1CC1 ZINC001235002799 818974981 /nfs/dbraw/zinc/97/49/81/818974981.db2.gz XLJMVAUFNVQLHL-SFHVURJKSA-N 2 2 288.410 3.279 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1-c1cccs1 ZINC001235008926 818978720 /nfs/dbraw/zinc/97/87/20/818978720.db2.gz XAHNVNCMMSDRSS-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1-c1cccs1 ZINC001235008926 818978726 /nfs/dbraw/zinc/97/87/26/818978726.db2.gz XAHNVNCMMSDRSS-UHFFFAOYSA-N 2 2 284.428 3.338 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017767 818980294 /nfs/dbraw/zinc/98/02/94/818980294.db2.gz OTIMUAPWYQJUMW-DZGCQCFKSA-N 2 2 286.444 3.394 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017767 818980299 /nfs/dbraw/zinc/98/02/99/818980299.db2.gz OTIMUAPWYQJUMW-DZGCQCFKSA-N 2 2 286.444 3.394 20 0 CGADLP Oc1ccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235115615 819008611 /nfs/dbraw/zinc/00/86/11/819008611.db2.gz JXDBFUOLMIYNSV-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c2ccccc12 ZINC001235115615 819008619 /nfs/dbraw/zinc/00/86/19/819008619.db2.gz JXDBFUOLMIYNSV-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235166665 819021258 /nfs/dbraw/zinc/02/12/58/819021258.db2.gz VECSCSSDWOXAQC-RBUKOAKNSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235166665 819021263 /nfs/dbraw/zinc/02/12/63/819021263.db2.gz VECSCSSDWOXAQC-RBUKOAKNSA-N 2 2 278.399 3.277 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1C(F)(F)F ZINC001235192451 819032897 /nfs/dbraw/zinc/03/28/97/819032897.db2.gz ADDDWGJDQPWALP-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1C(F)(F)F ZINC001235192451 819032902 /nfs/dbraw/zinc/03/29/02/819032902.db2.gz ADDDWGJDQPWALP-TZMCWYRMSA-N 2 2 298.352 3.055 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235214009 819039256 /nfs/dbraw/zinc/03/92/56/819039256.db2.gz RIKYOLMKEWSSGR-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235214009 819039259 /nfs/dbraw/zinc/03/92/59/819039259.db2.gz RIKYOLMKEWSSGR-BZUAXINKSA-N 2 2 250.430 3.053 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241067 819044978 /nfs/dbraw/zinc/04/49/78/819044978.db2.gz RIOVPOKFUGFWSF-SJLPKXTDSA-N 2 2 288.435 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241067 819044984 /nfs/dbraw/zinc/04/49/84/819044984.db2.gz RIOVPOKFUGFWSF-SJLPKXTDSA-N 2 2 288.435 3.035 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256138 819051004 /nfs/dbraw/zinc/05/10/04/819051004.db2.gz FQRCPJZQQIRTGG-OALUTQOASA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256138 819051009 /nfs/dbraw/zinc/05/10/09/819051009.db2.gz FQRCPJZQQIRTGG-OALUTQOASA-N 2 2 278.399 3.147 20 0 CGADLP c1csc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235254697 819051356 /nfs/dbraw/zinc/05/13/56/819051356.db2.gz CQGBQKVKNDBIPC-CVEARBPZSA-N 2 2 284.428 3.209 20 0 CGADLP c1csc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC001235254697 819051360 /nfs/dbraw/zinc/05/13/60/819051360.db2.gz CQGBQKVKNDBIPC-CVEARBPZSA-N 2 2 284.428 3.209 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254444 819052125 /nfs/dbraw/zinc/05/21/25/819052125.db2.gz BRRMQOGQRCVLHN-NVXWUHKLSA-N 2 2 272.436 3.168 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235254444 819052130 /nfs/dbraw/zinc/05/21/30/819052130.db2.gz BRRMQOGQRCVLHN-NVXWUHKLSA-N 2 2 272.436 3.168 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256920 819054004 /nfs/dbraw/zinc/05/40/04/819054004.db2.gz HIHCFGDSUNNYOL-PMACEKPBSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)c2)cc1 ZINC001235256920 819054007 /nfs/dbraw/zinc/05/40/07/819054007.db2.gz HIHCFGDSUNNYOL-PMACEKPBSA-N 2 2 292.426 3.456 20 0 CGADLP C[N@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235343472 819073736 /nfs/dbraw/zinc/07/37/36/819073736.db2.gz WFWOVHXJFDQAAX-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@@H+](Cc1ccc(F)c2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001235343472 819073741 /nfs/dbraw/zinc/07/37/41/819073741.db2.gz WFWOVHXJFDQAAX-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP Clc1ccc2[nH]cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c2c1 ZINC001235712100 819148976 /nfs/dbraw/zinc/14/89/76/819148976.db2.gz ZBEIZCBWUYMYLL-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1ccc2[nH]cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c2c1 ZINC001235712100 819148981 /nfs/dbraw/zinc/14/89/81/819148981.db2.gz ZBEIZCBWUYMYLL-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001235723911 819151394 /nfs/dbraw/zinc/15/13/94/819151394.db2.gz DVDSPLWQKWEQSD-INIZCTEOSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])cc(C)c1OC(C)C ZINC001235723911 819151397 /nfs/dbraw/zinc/15/13/97/819151397.db2.gz DVDSPLWQKWEQSD-INIZCTEOSA-N 2 2 276.424 3.014 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC(C)C)c(C)c2)CC1 ZINC001235723561 819151633 /nfs/dbraw/zinc/15/16/33/819151633.db2.gz GEIPNYCWTDTZBW-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001235892161 819201552 /nfs/dbraw/zinc/20/15/52/819201552.db2.gz LUPYKEIVZGQUAQ-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001235892161 819201556 /nfs/dbraw/zinc/20/15/56/819201556.db2.gz LUPYKEIVZGQUAQ-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2ccsc2c1 ZINC001235907684 819217628 /nfs/dbraw/zinc/21/76/28/819217628.db2.gz SGDXUFJDJPUWRA-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001235907684 819217633 /nfs/dbraw/zinc/21/76/33/819217633.db2.gz SGDXUFJDJPUWRA-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)c(C)c1C ZINC001235909552 819219360 /nfs/dbraw/zinc/21/93/60/819219360.db2.gz GPTSFSKWWPIVIM-DLBZAZTESA-N 2 2 278.415 3.100 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)C2)c(C)c1C ZINC001235909552 819219366 /nfs/dbraw/zinc/21/93/66/819219366.db2.gz GPTSFSKWWPIVIM-DLBZAZTESA-N 2 2 278.415 3.100 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+](CC[NH3+])C(C)C ZINC001235949004 819238015 /nfs/dbraw/zinc/23/80/15/819238015.db2.gz YSVOLTYCCXIEKV-UHFFFAOYSA-N 2 2 278.440 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+](CC[NH3+])C(C)C ZINC001235949004 819238020 /nfs/dbraw/zinc/23/80/20/819238020.db2.gz YSVOLTYCCXIEKV-UHFFFAOYSA-N 2 2 278.440 3.260 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235984939 819259109 /nfs/dbraw/zinc/25/91/09/819259109.db2.gz ANHJUOVNJLOJCY-CRAIPNDOSA-N 2 2 288.435 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1C(C)C ZINC001235984939 819259113 /nfs/dbraw/zinc/25/91/13/819259113.db2.gz ANHJUOVNJLOJCY-CRAIPNDOSA-N 2 2 288.435 3.050 20 0 CGADLP CCn1ccc2ccc(C[N@H+](CC)[C@H]3CCC[NH2+]C3)cc21 ZINC001236008925 819272390 /nfs/dbraw/zinc/27/23/90/819272390.db2.gz WFCCMEOMNFPWPN-KRWDZBQOSA-N 2 2 285.435 3.235 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](CC)[C@H]3CCC[NH2+]C3)cc21 ZINC001236008925 819272397 /nfs/dbraw/zinc/27/23/97/819272397.db2.gz WFCCMEOMNFPWPN-KRWDZBQOSA-N 2 2 285.435 3.235 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008545 819272895 /nfs/dbraw/zinc/27/28/95/819272895.db2.gz SGANMHRSJIRCGT-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008545 819272897 /nfs/dbraw/zinc/27/28/97/819272897.db2.gz SGANMHRSJIRCGT-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007963 819273070 /nfs/dbraw/zinc/27/30/70/819273070.db2.gz ONXKDAMRADMBHO-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236007963 819273073 /nfs/dbraw/zinc/27/30/73/819273073.db2.gz ONXKDAMRADMBHO-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007691 819273132 /nfs/dbraw/zinc/27/31/32/819273132.db2.gz APXDRVJUHDMCPU-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@@H+](Cc1cccc(C(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001236007691 819273134 /nfs/dbraw/zinc/27/31/34/819273134.db2.gz APXDRVJUHDMCPU-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@H+](Cc1cc(OC(C)C)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009508 819274429 /nfs/dbraw/zinc/27/44/29/819274429.db2.gz NATFXNXMEOHHLG-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1cc(OC(C)C)ccc1C)[C@@H]1CCC[NH2+]C1 ZINC001236009508 819274432 /nfs/dbraw/zinc/27/44/32/819274432.db2.gz NATFXNXMEOHHLG-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236050527 819287834 /nfs/dbraw/zinc/28/78/34/819287834.db2.gz UMLDDMMHBYCCPE-GOEBONIOSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236050527 819287839 /nfs/dbraw/zinc/28/78/39/819287839.db2.gz UMLDDMMHBYCCPE-GOEBONIOSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc3ccsc3c2)CCC[NH2+]1 ZINC001236095316 819313620 /nfs/dbraw/zinc/31/36/20/819313620.db2.gz QETABSVDDGVTBJ-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc3ccsc3c2)CCC[NH2+]1 ZINC001236095316 819313626 /nfs/dbraw/zinc/31/36/26/819313626.db2.gz QETABSVDDGVTBJ-LBPRGKRZSA-N 2 2 260.406 3.085 20 0 CGADLP CCCCCCOc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC001236142351 819342100 /nfs/dbraw/zinc/34/21/00/819342100.db2.gz WENRAWPDFVWWPP-UHFFFAOYSA-N 2 2 278.440 3.426 20 0 CGADLP CCCCCCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC001236142351 819342108 /nfs/dbraw/zinc/34/21/08/819342108.db2.gz WENRAWPDFVWWPP-UHFFFAOYSA-N 2 2 278.440 3.426 20 0 CGADLP C[N@H+](Cc1ccc(Br)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201071 819365792 /nfs/dbraw/zinc/36/57/92/819365792.db2.gz KFAYYGTVIAHNMM-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1ccc(Br)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236201071 819365795 /nfs/dbraw/zinc/36/57/95/819365795.db2.gz KFAYYGTVIAHNMM-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP CCc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236205546 819367937 /nfs/dbraw/zinc/36/79/37/819367937.db2.gz GPMYDGZRBNAQBK-INIZCTEOSA-N 2 2 280.843 3.476 20 0 CGADLP CCc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236205546 819367944 /nfs/dbraw/zinc/36/79/44/819367944.db2.gz GPMYDGZRBNAQBK-INIZCTEOSA-N 2 2 280.843 3.476 20 0 CGADLP C[N@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236205660 819368738 /nfs/dbraw/zinc/36/87/38/819368738.db2.gz GCKGWTLHMZZJMI-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236205660 819368740 /nfs/dbraw/zinc/36/87/40/819368740.db2.gz GCKGWTLHMZZJMI-INIZCTEOSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@H+](Cc1ccc2ccsc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206213 819368799 /nfs/dbraw/zinc/36/87/99/819368799.db2.gz JGLUTSGBCRHABC-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1ccc2ccsc2c1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206213 819368806 /nfs/dbraw/zinc/36/88/06/819368806.db2.gz JGLUTSGBCRHABC-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216546 819379549 /nfs/dbraw/zinc/37/95/49/819379549.db2.gz RDSFSWKAWLAUBQ-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216546 819379554 /nfs/dbraw/zinc/37/95/54/819379554.db2.gz RDSFSWKAWLAUBQ-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228548 819390786 /nfs/dbraw/zinc/39/07/86/819390786.db2.gz WCFREVYEGKTVKK-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1cc(F)cc(Cl)c1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236228548 819390792 /nfs/dbraw/zinc/39/07/92/819390792.db2.gz WCFREVYEGKTVKK-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c1F ZINC001236228453 819391140 /nfs/dbraw/zinc/39/11/40/819391140.db2.gz UZOSJDQHNXMXSN-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c1F ZINC001236228453 819391148 /nfs/dbraw/zinc/39/11/48/819391148.db2.gz UZOSJDQHNXMXSN-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP C[NH+]1CCC(c2cccc(-c3ccc(N)[nH+]c3)c2)CC1 ZINC001236317770 819423547 /nfs/dbraw/zinc/42/35/47/819423547.db2.gz PQZQZFLODAXWEE-UHFFFAOYSA-N 2 2 267.376 3.140 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395850 819449823 /nfs/dbraw/zinc/44/98/23/819449823.db2.gz UECJXJXYEJWLKR-FRFSOERESA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395850 819449826 /nfs/dbraw/zinc/44/98/26/819449826.db2.gz UECJXJXYEJWLKR-FRFSOERESA-N 2 2 276.399 3.036 20 0 CGADLP CC(C)[N@H+](Cc1ccc2ccsc2c1)[C@H]1CC[NH2+]C1 ZINC001236525269 819517240 /nfs/dbraw/zinc/51/72/40/819517240.db2.gz AWGXLHACSOSJSV-HNNXBMFYSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2ccsc2c1)[C@H]1CC[NH2+]C1 ZINC001236525269 819517245 /nfs/dbraw/zinc/51/72/45/819517245.db2.gz AWGXLHACSOSJSV-HNNXBMFYSA-N 2 2 274.433 3.474 20 0 CGADLP CCC(CC)[N@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC001236858962 819624973 /nfs/dbraw/zinc/62/49/73/819624973.db2.gz FXPJFEALGRVURR-CRAIPNDOSA-N 2 2 290.451 3.227 20 0 CGADLP CCC(CC)[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC001236858962 819624975 /nfs/dbraw/zinc/62/49/75/819624975.db2.gz FXPJFEALGRVURR-CRAIPNDOSA-N 2 2 290.451 3.227 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC001236859542 819625237 /nfs/dbraw/zinc/62/52/37/819625237.db2.gz VKEBKVHZMYEBII-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001236859542 819625239 /nfs/dbraw/zinc/62/52/39/819625239.db2.gz VKEBKVHZMYEBII-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC001236859542 819625241 /nfs/dbraw/zinc/62/52/41/819625241.db2.gz VKEBKVHZMYEBII-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC001236859542 819625243 /nfs/dbraw/zinc/62/52/43/819625243.db2.gz VKEBKVHZMYEBII-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)o1 ZINC001236900694 819635325 /nfs/dbraw/zinc/63/53/25/819635325.db2.gz VPZZLQWZUVDJFS-LBPRGKRZSA-N 2 2 258.365 3.034 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)o1 ZINC001236900694 819635328 /nfs/dbraw/zinc/63/53/28/819635328.db2.gz VPZZLQWZUVDJFS-LBPRGKRZSA-N 2 2 258.365 3.034 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C1CC1 ZINC001236912632 819636524 /nfs/dbraw/zinc/63/65/24/819636524.db2.gz CGGLUABAJRFZGZ-UHFFFAOYSA-N 2 2 261.756 3.120 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1Cl)C1CC1 ZINC001236912632 819636527 /nfs/dbraw/zinc/63/65/27/819636527.db2.gz CGGLUABAJRFZGZ-UHFFFAOYSA-N 2 2 261.756 3.120 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001237001540 819643833 /nfs/dbraw/zinc/64/38/33/819643833.db2.gz XNIOBBNVXRAMSI-GUYCJALGSA-N 2 2 286.444 3.277 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001237001540 819643837 /nfs/dbraw/zinc/64/38/37/819643837.db2.gz XNIOBBNVXRAMSI-GUYCJALGSA-N 2 2 286.444 3.277 20 0 CGADLP [NH3+]CCCCC[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001237042494 819647714 /nfs/dbraw/zinc/64/77/14/819647714.db2.gz MZEHCKPJOBKDCD-OAHLLOKOSA-N 2 2 282.378 3.240 20 0 CGADLP [NH3+]CCCCC[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001237042494 819647717 /nfs/dbraw/zinc/64/77/17/819647717.db2.gz MZEHCKPJOBKDCD-OAHLLOKOSA-N 2 2 282.378 3.240 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001237059818 819656500 /nfs/dbraw/zinc/65/65/00/819656500.db2.gz VVJCAUROGHLLSG-ZWNOBZJWSA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001237059818 819656503 /nfs/dbraw/zinc/65/65/03/819656503.db2.gz VVJCAUROGHLLSG-ZWNOBZJWSA-N 2 2 285.229 3.179 20 0 CGADLP CO[C@@H]1C[N@H+](C[C@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101317 819666727 /nfs/dbraw/zinc/66/67/27/819666727.db2.gz BMXARLIXAFQKCX-OKZBNKHCSA-N 2 2 292.467 3.117 20 0 CGADLP CO[C@@H]1C[N@@H+](C[C@H]2CC=C(CCC=C(C)C)CC2)C[C@@H]1[NH3+] ZINC001237101317 819666732 /nfs/dbraw/zinc/66/67/32/819666732.db2.gz BMXARLIXAFQKCX-OKZBNKHCSA-N 2 2 292.467 3.117 20 0 CGADLP Cn1ccc2ccc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001237155545 819683464 /nfs/dbraw/zinc/68/34/64/819683464.db2.gz RQOKJIGLYMMPGN-GOSISDBHSA-N 2 2 297.446 3.285 20 0 CGADLP Cn1ccc2ccc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)cc21 ZINC001237155545 819683466 /nfs/dbraw/zinc/68/34/66/819683466.db2.gz RQOKJIGLYMMPGN-GOSISDBHSA-N 2 2 297.446 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC001237203414 819698145 /nfs/dbraw/zinc/69/81/45/819698145.db2.gz GKYYTHICTVPAET-HIFRSBDPSA-N 2 2 293.414 3.253 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC001237203414 819698147 /nfs/dbraw/zinc/69/81/47/819698147.db2.gz GKYYTHICTVPAET-HIFRSBDPSA-N 2 2 293.414 3.253 20 0 CGADLP C[N@H+](C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001237259394 819709662 /nfs/dbraw/zinc/70/96/62/819709662.db2.gz WAKWLKRNRTWBNX-IEBWSBKVSA-N 2 2 280.415 3.176 20 0 CGADLP C[N@@H+](C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001237259394 819709666 /nfs/dbraw/zinc/70/96/66/819709666.db2.gz WAKWLKRNRTWBNX-IEBWSBKVSA-N 2 2 280.415 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237407517 819745533 /nfs/dbraw/zinc/74/55/33/819745533.db2.gz XOPGGQMFCJIHLL-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237407517 819745537 /nfs/dbraw/zinc/74/55/37/819745537.db2.gz XOPGGQMFCJIHLL-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237411580 819747633 /nfs/dbraw/zinc/74/76/33/819747633.db2.gz GXSOBIINYAEMLN-CJNGLKHVSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237411580 819747635 /nfs/dbraw/zinc/74/76/35/819747635.db2.gz GXSOBIINYAEMLN-CJNGLKHVSA-N 2 2 278.827 3.222 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(-c2ccccc2)n1 ZINC001237542705 819775422 /nfs/dbraw/zinc/77/54/22/819775422.db2.gz NALHEVHDGPMYLQ-UHFFFAOYSA-N 2 2 283.419 3.132 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-c2ccccc2)n1 ZINC001237542705 819775424 /nfs/dbraw/zinc/77/54/24/819775424.db2.gz NALHEVHDGPMYLQ-UHFFFAOYSA-N 2 2 283.419 3.132 20 0 CGADLP COc1ccoc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237871034 819861979 /nfs/dbraw/zinc/86/19/79/819861979.db2.gz PHMWXYMZDCYLRY-UHFFFAOYSA-N 2 2 292.423 3.127 20 0 CGADLP COc1ccoc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001237871034 819861992 /nfs/dbraw/zinc/86/19/92/819861992.db2.gz PHMWXYMZDCYLRY-UHFFFAOYSA-N 2 2 292.423 3.127 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3C)C[C@H]2C1 ZINC001238222077 819963873 /nfs/dbraw/zinc/96/38/73/819963873.db2.gz HWRVDBAWQHQBGN-HZPDHXFCSA-N 2 2 292.854 3.340 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2/C=C/c2ccccc2)C1 ZINC001239593664 820441740 /nfs/dbraw/zinc/44/17/40/820441740.db2.gz NQFVHAJTVLAOPW-GNISGLHKSA-N 2 2 278.399 3.390 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2/C=C/c2ccccc2)C1 ZINC001239593664 820441745 /nfs/dbraw/zinc/44/17/45/820441745.db2.gz NQFVHAJTVLAOPW-GNISGLHKSA-N 2 2 278.399 3.390 20 0 CGADLP c1cn2cc(-c3ccc(OC4CC[NH2+]CC4)cc3)ccc2[nH+]1 ZINC001240219524 820894463 /nfs/dbraw/zinc/89/44/63/820894463.db2.gz LWFIAGDIJPICCB-UHFFFAOYSA-N 2 2 293.370 3.132 20 0 CGADLP Nc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cc[nH+]1 ZINC001241176298 821618708 /nfs/dbraw/zinc/61/87/08/821618708.db2.gz ZDDNASKMAACFBO-UHFFFAOYSA-N 2 2 285.366 3.456 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088546 936397816 /nfs/dbraw/zinc/39/78/16/936397816.db2.gz RFEGOXOZIBZMDJ-CABCVRRESA-N 2 2 277.456 3.357 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C ZINC001340088546 936397821 /nfs/dbraw/zinc/39/78/21/936397821.db2.gz RFEGOXOZIBZMDJ-CABCVRRESA-N 2 2 277.456 3.357 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC001348655056 926756073 /nfs/dbraw/zinc/75/60/73/926756073.db2.gz QHBWOXDSFOILFY-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC001348655056 926756085 /nfs/dbraw/zinc/75/60/85/926756085.db2.gz QHBWOXDSFOILFY-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001172830448 928226566 /nfs/dbraw/zinc/22/65/66/928226566.db2.gz JBTPBLMQEFXQRJ-MSOLQXFVSA-N 2 2 284.447 3.069 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001172830448 928226580 /nfs/dbraw/zinc/22/65/80/928226580.db2.gz JBTPBLMQEFXQRJ-MSOLQXFVSA-N 2 2 284.447 3.069 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1Cl ZINC001560972070 937238910 /nfs/dbraw/zinc/23/89/10/937238910.db2.gz BXMJCDVXAWIXOG-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972070 937238913 /nfs/dbraw/zinc/23/89/13/937238913.db2.gz BXMJCDVXAWIXOG-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972070 937238916 /nfs/dbraw/zinc/23/89/16/937238916.db2.gz BXMJCDVXAWIXOG-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972070 937238919 /nfs/dbraw/zinc/23/89/19/937238919.db2.gz BXMJCDVXAWIXOG-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)[NH+](C)C)cc1C ZINC001308254245 928870313 /nfs/dbraw/zinc/87/03/13/928870313.db2.gz QFXFIKGPZXUQOM-PTZVLDCSSA-N 2 2 260.425 3.165 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001461044950 937561400 /nfs/dbraw/zinc/56/14/00/937561400.db2.gz MXWQZGRQGKTVDA-MRXNPFEDSA-N 2 2 286.463 3.256 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001461044950 937561401 /nfs/dbraw/zinc/56/14/01/937561401.db2.gz MXWQZGRQGKTVDA-MRXNPFEDSA-N 2 2 286.463 3.256 20 0 CGADLP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001461122406 937565564 /nfs/dbraw/zinc/56/55/64/937565564.db2.gz ZBUOCDNKBIKXCV-WMZOPIPTSA-N 2 2 299.418 3.167 20 0 CGADLP CCc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001461259919 937572802 /nfs/dbraw/zinc/57/28/02/937572802.db2.gz CXHIGIPUIKUXFB-UHFFFAOYSA-N 2 2 269.392 3.236 20 0 CGADLP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084529 932676105 /nfs/dbraw/zinc/67/61/05/932676105.db2.gz NBTPWRKNZOVENU-SCAQPMJSSA-N 2 2 297.402 3.186 20 0 CGADLP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084529 932676108 /nfs/dbraw/zinc/67/61/08/932676108.db2.gz NBTPWRKNZOVENU-SCAQPMJSSA-N 2 2 297.402 3.186 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC001307524631 932965440 /nfs/dbraw/zinc/96/54/40/932965440.db2.gz XVUJXAXUJXKSSZ-BBRMVZONSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC001307524631 932965445 /nfs/dbraw/zinc/96/54/45/932965445.db2.gz XVUJXAXUJXKSSZ-BBRMVZONSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC001307524631 932965449 /nfs/dbraw/zinc/96/54/49/932965449.db2.gz XVUJXAXUJXKSSZ-BBRMVZONSA-N 2 2 294.389 3.189 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1F ZINC001307524631 932965455 /nfs/dbraw/zinc/96/54/55/932965455.db2.gz XVUJXAXUJXKSSZ-BBRMVZONSA-N 2 2 294.389 3.189 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307645592 932979905 /nfs/dbraw/zinc/97/99/05/932979905.db2.gz QCOQRIJDIHFTEJ-UAGQMJEPSA-N 2 2 287.451 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC001307645592 932979910 /nfs/dbraw/zinc/97/99/10/932979910.db2.gz QCOQRIJDIHFTEJ-UAGQMJEPSA-N 2 2 287.451 3.111 20 0 CGADLP CC1(C)CC[N@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001307920589 933020558 /nfs/dbraw/zinc/02/05/58/933020558.db2.gz MVCJCVXTZKJXBL-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP CC1(C)CC[N@@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001307920589 933020560 /nfs/dbraw/zinc/02/05/60/933020560.db2.gz MVCJCVXTZKJXBL-UHFFFAOYSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCC12CCC2 ZINC001308866529 933193254 /nfs/dbraw/zinc/19/32/54/933193254.db2.gz UTOPZWDWNADTAC-CVEARBPZSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC001319498706 933884699 /nfs/dbraw/zinc/88/46/99/933884699.db2.gz AVIJDGHRWZZYHM-HLVNSREUSA-N 2 2 296.374 3.261 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001319813506 933936486 /nfs/dbraw/zinc/93/64/86/933936486.db2.gz BRBTVLOUVMWNRS-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001319813506 933936487 /nfs/dbraw/zinc/93/64/87/933936487.db2.gz BRBTVLOUVMWNRS-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001319813506 933936490 /nfs/dbraw/zinc/93/64/90/933936490.db2.gz BRBTVLOUVMWNRS-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001319813506 933936492 /nfs/dbraw/zinc/93/64/92/933936492.db2.gz BRBTVLOUVMWNRS-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001473689524 937817806 /nfs/dbraw/zinc/81/78/06/937817806.db2.gz IPELIFWAZCRLSB-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001473689524 937817807 /nfs/dbraw/zinc/81/78/07/937817807.db2.gz IPELIFWAZCRLSB-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689524 937817808 /nfs/dbraw/zinc/81/78/08/937817808.db2.gz IPELIFWAZCRLSB-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001473689524 937817809 /nfs/dbraw/zinc/81/78/09/937817809.db2.gz IPELIFWAZCRLSB-CALCHBBNSA-N 2 2 292.854 3.422 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001329574910 935229427 /nfs/dbraw/zinc/22/94/27/935229427.db2.gz WPIBDXIIGNCGDD-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001329574910 935229428 /nfs/dbraw/zinc/22/94/28/935229428.db2.gz WPIBDXIIGNCGDD-NVXWUHKLSA-N 2 2 274.452 3.388 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001336856935 936222866 /nfs/dbraw/zinc/22/28/66/936222866.db2.gz FRVXBHTTYUITPO-KRWDZBQOSA-N 2 2 288.410 3.373 20 0 CGADLP c1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001474247213 937845882 /nfs/dbraw/zinc/84/58/82/937845882.db2.gz VJDAEJDCSAQHRL-INIZCTEOSA-N 2 2 283.400 3.476 20 0 CGADLP Clc1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001474496818 937863405 /nfs/dbraw/zinc/86/34/05/937863405.db2.gz QBLQZJAVYIDALF-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001474496818 937863407 /nfs/dbraw/zinc/86/34/07/937863407.db2.gz QBLQZJAVYIDALF-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001474605038 937870050 /nfs/dbraw/zinc/87/00/50/937870050.db2.gz RHFGSWRSKYSTRF-SJORKVTESA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001474605038 937870052 /nfs/dbraw/zinc/87/00/52/937870052.db2.gz RHFGSWRSKYSTRF-SJORKVTESA-N 2 2 292.854 3.489 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCCCCCC2)C1 ZINC001474744722 937878441 /nfs/dbraw/zinc/87/84/41/937878441.db2.gz LXUYEGPIBNRQSP-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCCCCCC2)C1 ZINC001474744722 937878442 /nfs/dbraw/zinc/87/84/42/937878442.db2.gz LXUYEGPIBNRQSP-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001548842173 938152262 /nfs/dbraw/zinc/15/22/62/938152262.db2.gz CQMIJBPABWXINM-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C)C1 ZINC001548842173 938152263 /nfs/dbraw/zinc/15/22/63/938152263.db2.gz CQMIJBPABWXINM-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001549176086 938155579 /nfs/dbraw/zinc/15/55/79/938155579.db2.gz TUQFGQGINZDBLG-QPSCCSFWSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001549176086 938155580 /nfs/dbraw/zinc/15/55/80/938155580.db2.gz TUQFGQGINZDBLG-QPSCCSFWSA-N 2 2 286.410 3.417 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001550711038 938170405 /nfs/dbraw/zinc/17/04/05/938170405.db2.gz SJDUVFNMNSXMER-DJIMGWMZSA-N 2 2 299.393 3.295 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC001550711038 938170406 /nfs/dbraw/zinc/17/04/06/938170406.db2.gz SJDUVFNMNSXMER-DJIMGWMZSA-N 2 2 299.393 3.295 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551377687 938180423 /nfs/dbraw/zinc/18/04/23/938180423.db2.gz IWMPTPDPFZLITL-GLQYFDAESA-N 2 2 272.417 3.332 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(F)cc1 ZINC001551378137 938180602 /nfs/dbraw/zinc/18/06/02/938180602.db2.gz MRIJTKCDRZEWAY-MZPVMMEZSA-N 2 2 270.351 3.101 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])s1 ZINC001551401155 938181635 /nfs/dbraw/zinc/18/16/35/938181635.db2.gz HKEQVBFGMUNHAS-JKSUJKDBSA-N 2 2 272.417 3.025 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815236 938200996 /nfs/dbraw/zinc/20/09/96/938200996.db2.gz BFHJUSXXWSFWFK-INIZCTEOSA-N 2 2 294.402 3.281 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001553815236 938200997 /nfs/dbraw/zinc/20/09/97/938200997.db2.gz BFHJUSXXWSFWFK-INIZCTEOSA-N 2 2 294.402 3.281 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1(CC)CCOCC1 ZINC001560326727 938253131 /nfs/dbraw/zinc/25/31/31/938253131.db2.gz JCDNUFKVOWXXCV-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1(CC)CCOCC1 ZINC001560326727 938253132 /nfs/dbraw/zinc/25/31/32/938253132.db2.gz JCDNUFKVOWXXCV-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP COc1ccccc1/C=C\C[NH2+]CCCNc1cccc[nH+]1 ZINC001560365130 938255658 /nfs/dbraw/zinc/25/56/58/938255658.db2.gz MIKSOQOHTSAYDP-TWGQIWQCSA-N 2 2 297.402 3.195 20 0 CGADLP COCCC(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001560435204 938258415 /nfs/dbraw/zinc/25/84/15/938258415.db2.gz AXARCONTSCQNSY-UHFFFAOYSA-N 2 2 293.436 3.086 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001560454421 938258911 /nfs/dbraw/zinc/25/89/11/938258911.db2.gz XCLXALXXFPYFJF-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001560454421 938258912 /nfs/dbraw/zinc/25/89/12/938258912.db2.gz XCLXALXXFPYFJF-JKSUJKDBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]C(C)(C)C[NH+](C)C ZINC001560494752 938260535 /nfs/dbraw/zinc/26/05/35/938260535.db2.gz XMRLUCXIJVSFON-OAHLLOKOSA-N 2 2 262.441 3.185 20 0 CGADLP c1cc(C[N@@H+]2CC[C@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001560627349 938266997 /nfs/dbraw/zinc/26/69/97/938266997.db2.gz XUFCOWZTLLMRLX-SFHVURJKSA-N 2 2 290.370 3.214 20 0 CGADLP c1cc(C[N@H+]2CC[C@H]2c2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC001560627349 938266999 /nfs/dbraw/zinc/26/69/99/938266999.db2.gz XUFCOWZTLLMRLX-SFHVURJKSA-N 2 2 290.370 3.214 20 0 CGADLP Cc1ccc(CC[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001560790050 938275967 /nfs/dbraw/zinc/27/59/67/938275967.db2.gz RIMBHUJPYDEXRW-UHFFFAOYSA-N 2 2 274.452 3.249 20 0 CGADLP Cc1ccc(CC[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001560790050 938275969 /nfs/dbraw/zinc/27/59/69/938275969.db2.gz RIMBHUJPYDEXRW-UHFFFAOYSA-N 2 2 274.452 3.249 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001560807404 938277048 /nfs/dbraw/zinc/27/70/48/938277048.db2.gz DPEODGYWTKBCCG-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001560807404 938277049 /nfs/dbraw/zinc/27/70/49/938277049.db2.gz DPEODGYWTKBCCG-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCC2(C)C)C1 ZINC001560942287 938285312 /nfs/dbraw/zinc/28/53/12/938285312.db2.gz LYEKVUNLNMRONN-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCC2(C)C)C1 ZINC001560942287 938285314 /nfs/dbraw/zinc/28/53/14/938285314.db2.gz LYEKVUNLNMRONN-CABCVRRESA-N 2 2 252.446 3.277 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)no2)CC1 ZINC001257204444 960426989 /nfs/dbraw/zinc/42/69/89/960426989.db2.gz GUOVBTQYTPRZCV-UHFFFAOYSA-N 2 2 299.418 3.304 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC001575115261 962342959 /nfs/dbraw/zinc/34/29/59/962342959.db2.gz DCBUXDURQULLGY-CABCVRRESA-N 2 2 264.388 3.255 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC001576234354 962434875 /nfs/dbraw/zinc/43/48/75/962434875.db2.gz WENVSYTVEHARID-CKEIUWERSA-N 2 2 288.435 3.193 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC001576669884 962483498 /nfs/dbraw/zinc/48/34/98/962483498.db2.gz BMYPHHFZDGSKAF-MJVIPROJSA-N 2 2 297.240 3.240 20 0 CGADLP CC[C@H](OCC[N@@H+]1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001577184368 962516922 /nfs/dbraw/zinc/51/69/22/962516922.db2.gz INIWYZGTEAHWSN-MSOLQXFVSA-N 2 2 290.451 3.358 20 0 CGADLP CC[C@H](OCC[N@H+]1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC001577184368 962516931 /nfs/dbraw/zinc/51/69/31/962516931.db2.gz INIWYZGTEAHWSN-MSOLQXFVSA-N 2 2 290.451 3.358 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001577397130 962539129 /nfs/dbraw/zinc/53/91/29/962539129.db2.gz NUQWUAIKOPFWSF-LBPRGKRZSA-N 2 2 281.787 3.088 20 0 CGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001578507627 962590070 /nfs/dbraw/zinc/59/00/70/962590070.db2.gz RGCIFYYMYQSRKV-KRWDZBQOSA-N 2 2 295.430 3.296 20 0 CGADLP COc1cc(C)[nH+]c(CN2c3ccccc3[C@@H]([NH3+])C2(C)C)c1 ZINC001579146497 962610160 /nfs/dbraw/zinc/61/01/60/962610160.db2.gz OVFZJCYEXDEVHR-QGZVFWFLSA-N 2 2 297.402 3.197 20 0 CGADLP COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2[NH3+])cc1 ZINC001579240632 962622636 /nfs/dbraw/zinc/62/26/36/962622636.db2.gz ZKZBCTMZRJYUMX-MDASCCDHSA-N 2 2 296.414 3.183 20 0 CGADLP COc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2[NH3+])cc1 ZINC001579240632 962622641 /nfs/dbraw/zinc/62/26/41/962622641.db2.gz ZKZBCTMZRJYUMX-MDASCCDHSA-N 2 2 296.414 3.183 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001579393532 962631689 /nfs/dbraw/zinc/63/16/89/962631689.db2.gz YQNXKAJMCYXULU-OUCADQQQSA-N 2 2 264.438 3.200 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001579795398 962671658 /nfs/dbraw/zinc/67/16/58/962671658.db2.gz QPVYNNSPUCHTRN-OCCSQVGLSA-N 2 2 286.341 3.412 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)(F)F ZINC001579795398 962671670 /nfs/dbraw/zinc/67/16/70/962671670.db2.gz QPVYNNSPUCHTRN-OCCSQVGLSA-N 2 2 286.341 3.412 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337384629 214045069 /nfs/dbraw/zinc/04/50/69/214045069.db2.gz GPXHWUGUFJPTSR-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000337384629 214045070 /nfs/dbraw/zinc/04/50/70/214045070.db2.gz GPXHWUGUFJPTSR-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337390092 214049409 /nfs/dbraw/zinc/04/94/09/214049409.db2.gz KLRDOGRXJNBJKI-ZDUSSCGKSA-N 2 2 264.413 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425530 214077035 /nfs/dbraw/zinc/07/70/35/214077035.db2.gz SFKKAIMOEYZJKX-OFQRWUPVSA-N 2 2 290.455 3.132 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cnn(C2CCCC2)c1 ZINC000337425530 214077039 /nfs/dbraw/zinc/07/70/39/214077039.db2.gz SFKKAIMOEYZJKX-OFQRWUPVSA-N 2 2 290.455 3.132 20 0 CGADLP C[N@H+](Cc1cc(F)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000124518245 187141277 /nfs/dbraw/zinc/14/12/77/187141277.db2.gz LSOVIAPGDLRSNS-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+](Cc1cc(F)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000124518245 187141278 /nfs/dbraw/zinc/14/12/78/187141278.db2.gz LSOVIAPGDLRSNS-PBWFPOADSA-N 2 2 282.790 3.194 20 0 CGADLP FC1(c2ccccc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000434498162 282950833 /nfs/dbraw/zinc/95/08/33/282950833.db2.gz RMXJJUCBXURBOW-UHFFFAOYSA-N 2 2 287.382 3.234 20 0 CGADLP CCc1cc(OC)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000337528507 214139346 /nfs/dbraw/zinc/13/93/46/214139346.db2.gz BTESXCHHVHDTOZ-UHFFFAOYSA-N 2 2 299.418 3.360 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCc4sccc4C3)cc2)c[nH+]1 ZINC000337659069 214201485 /nfs/dbraw/zinc/20/14/85/214201485.db2.gz KEEYNWGPLCUXFE-UHFFFAOYSA-N 2 2 295.411 3.492 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCc4sccc4C3)cc2)c[nH+]1 ZINC000337659069 214201487 /nfs/dbraw/zinc/20/14/87/214201487.db2.gz KEEYNWGPLCUXFE-UHFFFAOYSA-N 2 2 295.411 3.492 20 0 CGADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)O ZINC000294967424 199273758 /nfs/dbraw/zinc/27/37/58/199273758.db2.gz JQSKSVPKDYMTGJ-CJNGLKHVSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781806 349585566 /nfs/dbraw/zinc/58/55/66/349585566.db2.gz IVAFDHSBGBILPV-UXIGCNINSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781806 349585572 /nfs/dbraw/zinc/58/55/72/349585572.db2.gz IVAFDHSBGBILPV-UXIGCNINSA-N 2 2 264.800 3.214 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127826514 187335244 /nfs/dbraw/zinc/33/52/44/187335244.db2.gz VXSPUQJMQHDAOG-GDBMZVCRSA-N 2 2 273.424 3.100 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127826514 187335245 /nfs/dbraw/zinc/33/52/45/187335245.db2.gz VXSPUQJMQHDAOG-GDBMZVCRSA-N 2 2 273.424 3.100 20 0 CGADLP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(F)c1 ZINC000651762346 398284227 /nfs/dbraw/zinc/28/42/27/398284227.db2.gz OAZNJTSKITURLV-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651750524 398282135 /nfs/dbraw/zinc/28/21/35/398282135.db2.gz MCRMUKOFGMFIAY-HOCLYGCPSA-N 2 2 271.408 3.435 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000622043596 349623091 /nfs/dbraw/zinc/62/30/91/349623091.db2.gz DZSOVKFIAJXBPA-DLBZAZTESA-N 2 2 286.350 3.069 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3ccncc3F)n2c1 ZINC000337946821 214325009 /nfs/dbraw/zinc/32/50/09/214325009.db2.gz QGSIZNVBPACOAH-GFCCVEGCSA-N 2 2 284.338 3.028 20 0 CGADLP Clc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081908 346899769 /nfs/dbraw/zinc/89/97/69/346899769.db2.gz BKPUYTDQQANAFR-CQSZACIVSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081908 346899772 /nfs/dbraw/zinc/89/97/72/346899772.db2.gz BKPUYTDQQANAFR-CQSZACIVSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081907 346900065 /nfs/dbraw/zinc/90/00/65/346900065.db2.gz BKPUYTDQQANAFR-AWEZNQCLSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081907 346900066 /nfs/dbraw/zinc/90/00/66/346900066.db2.gz BKPUYTDQQANAFR-AWEZNQCLSA-N 2 2 275.783 3.374 20 0 CGADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000449158086 529589730 /nfs/dbraw/zinc/58/97/30/529589730.db2.gz XSCFSBBPHQYSDS-KRWDZBQOSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@@H]1C ZINC000414079595 529585093 /nfs/dbraw/zinc/58/50/93/529585093.db2.gz TUBHTKHUWCMYFL-QGTPRVQTSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1cc(C)cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088789 349757468 /nfs/dbraw/zinc/75/74/68/349757468.db2.gz FFOLFWKDGUXHPQ-UHFFFAOYSA-N 2 2 296.405 3.370 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1F ZINC000163458643 529620323 /nfs/dbraw/zinc/62/03/23/529620323.db2.gz BPFXFNLSZNWTDQ-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1F ZINC000163458643 529620325 /nfs/dbraw/zinc/62/03/25/529620325.db2.gz BPFXFNLSZNWTDQ-CJNGLKHVSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1F ZINC000163458445 529614342 /nfs/dbraw/zinc/61/43/42/529614342.db2.gz BPFXFNLSZNWTDQ-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1F ZINC000163458445 529614345 /nfs/dbraw/zinc/61/43/45/529614345.db2.gz BPFXFNLSZNWTDQ-BBRMVZONSA-N 2 2 264.388 3.351 20 0 CGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Cl ZINC000623358470 349788061 /nfs/dbraw/zinc/78/80/61/349788061.db2.gz BJHVKTGBEHCKBY-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423276246 529654472 /nfs/dbraw/zinc/65/44/72/529654472.db2.gz MVRGMQMQKMHCJF-STQMWFEESA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc(Cl)c1F ZINC000423441033 529666081 /nfs/dbraw/zinc/66/60/81/529666081.db2.gz IYXFFFHGWUXECW-LNLATYFQSA-N 2 2 258.768 3.256 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)s1 ZINC000423358260 529673407 /nfs/dbraw/zinc/67/34/07/529673407.db2.gz JCUAMVJCVXTVQK-DCAQKATOSA-N 2 2 272.845 3.440 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)ccn1 ZINC000623412854 349801937 /nfs/dbraw/zinc/80/19/37/349801937.db2.gz AFTDAMGUBRKDCT-INIZCTEOSA-N 2 2 283.419 3.000 20 0 CGADLP Cc1cc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)ccn1 ZINC000623412854 349801941 /nfs/dbraw/zinc/80/19/41/349801941.db2.gz AFTDAMGUBRKDCT-INIZCTEOSA-N 2 2 283.419 3.000 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000423559796 529707468 /nfs/dbraw/zinc/70/74/68/529707468.db2.gz PDWCWWZNMDLWSZ-NEPJUHHUSA-N 2 2 252.427 3.103 20 0 CGADLP CC(C)[NH+](CCC[NH2+]Cc1ccncc1Cl)C(C)C ZINC000623437685 349809395 /nfs/dbraw/zinc/80/93/95/349809395.db2.gz SZHNLKKQSZCKSE-UHFFFAOYSA-N 2 2 283.847 3.334 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478211 349816850 /nfs/dbraw/zinc/81/68/50/349816850.db2.gz DDAIWOKNGHZLOV-RYUDHWBXSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000623478211 349816853 /nfs/dbraw/zinc/81/68/53/349816853.db2.gz DDAIWOKNGHZLOV-RYUDHWBXSA-N 2 2 282.378 3.488 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H]2CSC[C@@H]2C)[NH+](C)C)cc1 ZINC000449060014 529723763 /nfs/dbraw/zinc/72/37/63/529723763.db2.gz CCVCLMDLACISLL-JQFCIGGWSA-N 2 2 292.492 3.193 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)n1C ZINC000623844167 349893964 /nfs/dbraw/zinc/89/39/64/349893964.db2.gz JCTXSUNVTLCLEF-UHFFFAOYSA-N 2 2 291.345 3.176 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000351583319 219133656 /nfs/dbraw/zinc/13/36/56/219133656.db2.gz OMIKZROIQNJPQQ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000351583319 219133658 /nfs/dbraw/zinc/13/36/58/219133658.db2.gz OMIKZROIQNJPQQ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000351583319 219133660 /nfs/dbraw/zinc/13/36/60/219133660.db2.gz OMIKZROIQNJPQQ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000351583319 219133663 /nfs/dbraw/zinc/13/36/63/219133663.db2.gz OMIKZROIQNJPQQ-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080944715 345690212 /nfs/dbraw/zinc/69/02/12/345690212.db2.gz SJMXXWGJXZAARY-GFCCVEGCSA-N 2 2 289.427 3.189 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)C)cc1 ZINC000091262808 345809338 /nfs/dbraw/zinc/80/93/38/345809338.db2.gz XNIDROQGZDMEHM-INIZCTEOSA-N 2 2 278.440 3.322 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(C)c1 ZINC000090046583 345778551 /nfs/dbraw/zinc/77/85/51/345778551.db2.gz SCRSRMJLQPDGSE-SJORKVTESA-N 2 2 290.451 3.065 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000092745317 345856406 /nfs/dbraw/zinc/85/64/06/345856406.db2.gz FYIACNFUMSCPLE-CYBMUJFWSA-N 2 2 288.370 3.159 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066067 345829491 /nfs/dbraw/zinc/82/94/91/345829491.db2.gz WHNVKVOYOUXKMG-IUODEOHRSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066067 345829495 /nfs/dbraw/zinc/82/94/95/345829495.db2.gz WHNVKVOYOUXKMG-IUODEOHRSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066067 345829497 /nfs/dbraw/zinc/82/94/97/345829497.db2.gz WHNVKVOYOUXKMG-IUODEOHRSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066067 345829501 /nfs/dbraw/zinc/82/95/01/345829501.db2.gz WHNVKVOYOUXKMG-IUODEOHRSA-N 2 2 294.826 3.382 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000093116470 345870169 /nfs/dbraw/zinc/87/01/69/345870169.db2.gz SLYRNLBNGFXPCE-CDHAZOANSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000093116470 345870172 /nfs/dbraw/zinc/87/01/72/345870172.db2.gz SLYRNLBNGFXPCE-CDHAZOANSA-N 2 2 288.410 3.418 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683334 345883890 /nfs/dbraw/zinc/88/38/90/345883890.db2.gz SEYNNQXTUOKMHQ-CYBMUJFWSA-N 2 2 282.815 3.241 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683334 345883895 /nfs/dbraw/zinc/88/38/95/345883895.db2.gz SEYNNQXTUOKMHQ-CYBMUJFWSA-N 2 2 282.815 3.241 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639624 345884447 /nfs/dbraw/zinc/88/44/47/345884447.db2.gz TYSPPPOTOCNGLY-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639624 345884451 /nfs/dbraw/zinc/88/44/51/345884451.db2.gz TYSPPPOTOCNGLY-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639624 345884453 /nfs/dbraw/zinc/88/44/53/345884453.db2.gz TYSPPPOTOCNGLY-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CC3)s2)[C@H](C)C1 ZINC000093639624 345884457 /nfs/dbraw/zinc/88/44/57/345884457.db2.gz TYSPPPOTOCNGLY-DOMZBBRYSA-N 2 2 293.480 3.183 20 0 CGADLP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C(C)C)cc1 ZINC000119118130 370646771 /nfs/dbraw/zinc/64/67/71/370646771.db2.gz RPSYQYLUPXXADU-QGZVFWFLSA-N 2 2 271.408 3.432 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000124534107 346012866 /nfs/dbraw/zinc/01/28/66/346012866.db2.gz BYBCPUFKWFFKQW-CABZTGNLSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000124534107 346012867 /nfs/dbraw/zinc/01/28/67/346012867.db2.gz BYBCPUFKWFFKQW-CABZTGNLSA-N 2 2 273.207 3.305 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000134783155 346084253 /nfs/dbraw/zinc/08/42/53/346084253.db2.gz WKSPDEVBBBOQKM-ZDUSSCGKSA-N 2 2 296.842 3.169 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000134783155 346084255 /nfs/dbraw/zinc/08/42/55/346084255.db2.gz WKSPDEVBBBOQKM-ZDUSSCGKSA-N 2 2 296.842 3.169 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000131524689 346066063 /nfs/dbraw/zinc/06/60/63/346066063.db2.gz HZMLUODBDXQKLS-MWLCHTKSSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000131524689 346066064 /nfs/dbraw/zinc/06/60/64/346066064.db2.gz HZMLUODBDXQKLS-MWLCHTKSSA-N 2 2 273.207 3.305 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CCC2)[NH+](C)C)cc1 ZINC000178137349 232381917 /nfs/dbraw/zinc/38/19/17/232381917.db2.gz ULFXSEJWMDUNCP-RHSMWYFYSA-N 2 2 260.425 3.376 20 0 CGADLP Cc1sccc1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000339204477 215012740 /nfs/dbraw/zinc/01/27/40/215012740.db2.gz GVBLEPLBBZZXIN-UHFFFAOYSA-N 2 2 274.433 3.278 20 0 CGADLP Cc1sccc1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000339204477 215012742 /nfs/dbraw/zinc/01/27/42/215012742.db2.gz GVBLEPLBBZZXIN-UHFFFAOYSA-N 2 2 274.433 3.278 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000225376710 346304026 /nfs/dbraw/zinc/30/40/26/346304026.db2.gz KWQIUTXSAUHLCJ-KRWDZBQOSA-N 2 2 286.444 3.287 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000227956136 346312735 /nfs/dbraw/zinc/31/27/35/346312735.db2.gz MCKPYUJWCBDBSF-NWDGAFQWSA-N 2 2 264.438 3.025 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000227956136 346312739 /nfs/dbraw/zinc/31/27/39/346312739.db2.gz MCKPYUJWCBDBSF-NWDGAFQWSA-N 2 2 264.438 3.025 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(O)cc1 ZINC000237763543 346347085 /nfs/dbraw/zinc/34/70/85/346347085.db2.gz JCQYGVHRCIFSGI-UHFFFAOYSA-N 2 2 295.386 3.230 20 0 CGADLP FCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351759274 219196789 /nfs/dbraw/zinc/19/67/89/219196789.db2.gz RSTVVSGVFNQIFK-UHFFFAOYSA-N 2 2 267.392 3.125 20 0 CGADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000595017682 347258740 /nfs/dbraw/zinc/25/87/40/347258740.db2.gz MVHQGNAWLKQSGE-KBPBESRZSA-N 2 2 290.492 3.178 20 0 CGADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000595017682 347258742 /nfs/dbraw/zinc/25/87/42/347258742.db2.gz MVHQGNAWLKQSGE-KBPBESRZSA-N 2 2 290.492 3.178 20 0 CGADLP CSCC1(CC[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000597187660 347546979 /nfs/dbraw/zinc/54/69/79/347546979.db2.gz RZBKXEMLUSAFOE-UHFFFAOYSA-N 2 2 278.465 3.446 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccncc1Cl ZINC000624123072 349981261 /nfs/dbraw/zinc/98/12/61/349981261.db2.gz FLPFBQXXXXCAEO-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccncc1Cl ZINC000624123072 349981263 /nfs/dbraw/zinc/98/12/63/349981263.db2.gz FLPFBQXXXXCAEO-CHWSQXEVSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000608579622 348318640 /nfs/dbraw/zinc/31/86/40/348318640.db2.gz IEZLOKIRDCPIPK-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000608579622 348318643 /nfs/dbraw/zinc/31/86/43/348318643.db2.gz IEZLOKIRDCPIPK-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)F)n1-c1ccccc1 ZINC000339484318 215199824 /nfs/dbraw/zinc/19/98/24/215199824.db2.gz KRJVVZAXCCCQQW-GFCCVEGCSA-N 2 2 261.344 3.018 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187884 349996196 /nfs/dbraw/zinc/99/61/96/349996196.db2.gz NUFXGAIPYOQFHF-DGCLKSJQSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C(F)F ZINC000624187884 349996197 /nfs/dbraw/zinc/99/61/97/349996197.db2.gz NUFXGAIPYOQFHF-DGCLKSJQSA-N 2 2 274.399 3.273 20 0 CGADLP Clc1ccc2[nH+]cc(CNc3cc4c(c[nH+]3)CCC4)n2c1 ZINC000339557449 215243168 /nfs/dbraw/zinc/24/31/68/215243168.db2.gz XYXRZDQRCUQWHP-UHFFFAOYSA-N 2 2 298.777 3.484 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339577285 215253064 /nfs/dbraw/zinc/25/30/64/215253064.db2.gz GFXSAUIWWMCLTI-ZIAGYGMSSA-N 2 2 255.365 3.021 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339577285 215253066 /nfs/dbraw/zinc/25/30/66/215253066.db2.gz GFXSAUIWWMCLTI-ZIAGYGMSSA-N 2 2 255.365 3.021 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cncc(F)c3)n2c1 ZINC000358987764 233233098 /nfs/dbraw/zinc/23/30/98/233233098.db2.gz HQXJJTBAKUSREE-LBPRGKRZSA-N 2 2 284.338 3.028 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000620757816 349422262 /nfs/dbraw/zinc/42/22/62/349422262.db2.gz LLRASRWJNUPKNK-HNNXBMFYSA-N 2 2 271.408 3.262 20 0 CGADLP C[C@H]1CC(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C[C@H](C)C1 ZINC000625438904 350171833 /nfs/dbraw/zinc/17/18/33/350171833.db2.gz VTBBUYUKMPMGKQ-CHWSQXEVSA-N 2 2 261.413 3.230 20 0 CGADLP C[C@H]1CC(CC[N@H+]2CCc3[nH+]c[nH]c3C2)C[C@H](C)C1 ZINC000625438904 350171835 /nfs/dbraw/zinc/17/18/35/350171835.db2.gz VTBBUYUKMPMGKQ-CHWSQXEVSA-N 2 2 261.413 3.230 20 0 CGADLP c1nc(C2CC2)oc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000628181894 350426110 /nfs/dbraw/zinc/42/61/10/350426110.db2.gz VLRYZFRLNZPMAS-HNNXBMFYSA-N 2 2 289.423 3.002 20 0 CGADLP c1nc(C2CC2)oc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000628181894 350426111 /nfs/dbraw/zinc/42/61/11/350426111.db2.gz VLRYZFRLNZPMAS-HNNXBMFYSA-N 2 2 289.423 3.002 20 0 CGADLP C[C@@]1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCCS1 ZINC000628419566 350532372 /nfs/dbraw/zinc/53/23/72/350532372.db2.gz VZUALSKAWRFCEF-CVEARBPZSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@]1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCCS1 ZINC000628419566 350532376 /nfs/dbraw/zinc/53/23/76/350532376.db2.gz VZUALSKAWRFCEF-CVEARBPZSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454832 350542306 /nfs/dbraw/zinc/54/23/06/350542306.db2.gz WPQQPSHQVPCDKJ-RISCZKNCSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC(F)(F)C1 ZINC000628454832 350542309 /nfs/dbraw/zinc/54/23/09/350542309.db2.gz WPQQPSHQVPCDKJ-RISCZKNCSA-N 2 2 272.383 3.027 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629526078 350702207 /nfs/dbraw/zinc/70/22/07/350702207.db2.gz KDVZFRYCZKZRNM-DDTOSNHZSA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000629528331 350703285 /nfs/dbraw/zinc/70/32/85/350703285.db2.gz WJJCLIIQWDPICC-OAUYIBNBSA-N 2 2 258.409 3.355 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000629540026 350706678 /nfs/dbraw/zinc/70/66/78/350706678.db2.gz PPXONHCQSCZDGL-DYEKYZERSA-N 2 2 298.377 3.469 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1F ZINC000629539722 350706708 /nfs/dbraw/zinc/70/67/08/350706708.db2.gz NOHYDXBARAJQQF-FFSVYQOJSA-N 2 2 282.378 3.392 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1SC ZINC000629540166 350706721 /nfs/dbraw/zinc/70/67/21/350706721.db2.gz RCHMWQNMNZCFDM-MBNYWOFBSA-N 2 2 294.464 3.208 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccsc1 ZINC000629543106 350708522 /nfs/dbraw/zinc/70/85/22/350708522.db2.gz SYSZVDURDOGTEH-UBHSHLNASA-N 2 2 252.427 3.319 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C[NH2+]1 ZINC000629542757 350708578 /nfs/dbraw/zinc/70/85/78/350708578.db2.gz LCFMKQHGNPZGOF-OSAQELSMSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000629544331 350709117 /nfs/dbraw/zinc/70/91/17/350709117.db2.gz JTUQDYLEVYXHCJ-YVEFUNNKSA-N 2 2 264.372 3.096 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629543980 350709353 /nfs/dbraw/zinc/70/93/53/350709353.db2.gz HTINPUICHYMMQJ-SJWGOKEGSA-N 2 2 258.409 3.211 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629546881 350710167 /nfs/dbraw/zinc/71/01/67/350710167.db2.gz XZOZDIAVOZKFIY-NUEKZKHPSA-N 2 2 258.409 3.021 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)c(C)c2c1 ZINC000629549497 350711104 /nfs/dbraw/zinc/71/11/04/350711104.db2.gz XKZKIAPMTGNISJ-SLEUVZQESA-N 2 2 288.391 3.151 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000629390806 350687636 /nfs/dbraw/zinc/68/76/36/350687636.db2.gz MOKQQBFXBCKDHX-QWHCGFSZSA-N 2 2 273.207 3.224 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(OC(F)F)cc1C ZINC000629411155 350690348 /nfs/dbraw/zinc/69/03/48/350690348.db2.gz IHJQEDPASAWUCI-JSGCOSHPSA-N 2 2 298.377 3.135 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000629509454 350699246 /nfs/dbraw/zinc/69/92/46/350699246.db2.gz MRBLIHJYOSPQMQ-KDOFPFPSSA-N 2 2 289.467 3.469 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000629509454 350699248 /nfs/dbraw/zinc/69/92/48/350699248.db2.gz MRBLIHJYOSPQMQ-KDOFPFPSSA-N 2 2 289.467 3.469 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000629525339 350701677 /nfs/dbraw/zinc/70/16/77/350701677.db2.gz ZYNCATVTQSRYLI-LPEHRKFASA-N 2 2 258.818 3.193 20 0 CGADLP Cc1cc2c(c(-c3ccc(N4CCCC4)[nH+]c3)c1)CC[NH2+]C2 ZINC000629709532 350748566 /nfs/dbraw/zinc/74/85/66/350748566.db2.gz FUGZBOWFDKOHER-UHFFFAOYSA-N 2 2 293.414 3.303 20 0 CGADLP C[NH2+]c1ccc(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000629652476 350731299 /nfs/dbraw/zinc/73/12/99/350731299.db2.gz AUDBDXRFMWTFPG-XJKSGUPXSA-N 2 2 261.413 3.451 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000630072949 350807093 /nfs/dbraw/zinc/80/70/93/350807093.db2.gz NXWNZIJNHVNLBX-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173015 350978360 /nfs/dbraw/zinc/97/83/60/350978360.db2.gz NEWZQVSHKBDELZ-IRXDYDNUSA-N 2 2 281.403 3.155 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc3ccccc3c[nH+]2)C1 ZINC000631173015 350978363 /nfs/dbraw/zinc/97/83/63/350978363.db2.gz NEWZQVSHKBDELZ-IRXDYDNUSA-N 2 2 281.403 3.155 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)n2c1 ZINC000631256400 351009230 /nfs/dbraw/zinc/00/92/30/351009230.db2.gz UPMRGAUBFFNWNT-AEFFLSMTSA-N 2 2 299.418 3.080 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000631260490 351010059 /nfs/dbraw/zinc/01/00/59/351010059.db2.gz ORLULXUSBDPNFJ-NMFUWQPSSA-N 2 2 298.352 3.190 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000631260490 351010061 /nfs/dbraw/zinc/01/00/61/351010061.db2.gz ORLULXUSBDPNFJ-NMFUWQPSSA-N 2 2 298.352 3.190 20 0 CGADLP CC1([NH+]2CCCC2)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000631445787 351041805 /nfs/dbraw/zinc/04/18/05/351041805.db2.gz NHTSBZIDTUWGTB-UHFFFAOYSA-N 2 2 296.418 3.085 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000631644522 351103966 /nfs/dbraw/zinc/10/39/66/351103966.db2.gz GMHDQRABNLCBEM-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000631644522 351103969 /nfs/dbraw/zinc/10/39/69/351103969.db2.gz GMHDQRABNLCBEM-PBHICJAKSA-N 2 2 288.435 3.145 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)[NH+](C)C ZINC000631578407 351075036 /nfs/dbraw/zinc/07/50/36/351075036.db2.gz SLJOJRWRAYPZBQ-UONOGXRCSA-N 2 2 273.424 3.029 20 0 CGADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888850 351153305 /nfs/dbraw/zinc/15/33/05/351153305.db2.gz CFBSPOYWYLDYMJ-CHWSQXEVSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000631888850 351153309 /nfs/dbraw/zinc/15/33/09/351153309.db2.gz CFBSPOYWYLDYMJ-CHWSQXEVSA-N 2 2 293.480 3.015 20 0 CGADLP C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000634682944 351568439 /nfs/dbraw/zinc/56/84/39/351568439.db2.gz FOERWLCTMGHXEO-BHYGNILZSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000271548196 191204715 /nfs/dbraw/zinc/20/47/15/191204715.db2.gz UNADURXAYQYKRL-CQSZACIVSA-N 2 2 282.387 3.218 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629101 234117809 /nfs/dbraw/zinc/11/78/09/234117809.db2.gz MKCYYGARHNBMQC-HNNXBMFYSA-N 2 2 287.382 3.247 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000336467476 213335032 /nfs/dbraw/zinc/33/50/32/213335032.db2.gz GTRWUWXTJQLKGC-UHFFFAOYSA-N 2 2 272.392 3.233 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000366740630 234189419 /nfs/dbraw/zinc/18/94/19/234189419.db2.gz SMJFGGOYCGSODB-NWDGAFQWSA-N 2 2 291.420 3.181 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292191216 198196463 /nfs/dbraw/zinc/19/64/63/198196463.db2.gz RIKXGBZQCCHFJE-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292191216 198196465 /nfs/dbraw/zinc/19/64/65/198196465.db2.gz RIKXGBZQCCHFJE-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292191216 198196466 /nfs/dbraw/zinc/19/64/66/198196466.db2.gz RIKXGBZQCCHFJE-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292191216 198196468 /nfs/dbraw/zinc/19/64/68/198196468.db2.gz RIKXGBZQCCHFJE-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(c2ccccn2)CCC1 ZINC000368039375 234274171 /nfs/dbraw/zinc/27/41/71/234274171.db2.gz RCHKYHDRERWSHO-UHFFFAOYSA-N 2 2 295.430 3.429 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152449459 188019129 /nfs/dbraw/zinc/01/91/29/188019129.db2.gz YAHQUSHQYFKJJU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152449459 188019130 /nfs/dbraw/zinc/01/91/30/188019130.db2.gz YAHQUSHQYFKJJU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152449459 188019132 /nfs/dbraw/zinc/01/91/32/188019132.db2.gz YAHQUSHQYFKJJU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP C[NH+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152449459 188019134 /nfs/dbraw/zinc/01/91/34/188019134.db2.gz YAHQUSHQYFKJJU-OAHLLOKOSA-N 2 2 299.418 3.115 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103010 234284016 /nfs/dbraw/zinc/28/40/16/234284016.db2.gz RJLFOTUXFGRFII-UMVBOHGHSA-N 2 2 299.418 3.057 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103010 234284021 /nfs/dbraw/zinc/28/40/21/234284021.db2.gz RJLFOTUXFGRFII-UMVBOHGHSA-N 2 2 299.418 3.057 20 0 CGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000153794680 188104598 /nfs/dbraw/zinc/10/45/98/188104598.db2.gz RSJRUJHYSTVOJD-AWEZNQCLSA-N 2 2 290.407 3.052 20 0 CGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000153794680 188104599 /nfs/dbraw/zinc/10/45/99/188104599.db2.gz RSJRUJHYSTVOJD-AWEZNQCLSA-N 2 2 290.407 3.052 20 0 CGADLP CCn1cc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000156193610 188248645 /nfs/dbraw/zinc/24/86/45/188248645.db2.gz RODGBDSRRAFPOD-ZDUSSCGKSA-N 2 2 297.406 3.063 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000354694682 283008064 /nfs/dbraw/zinc/00/80/64/283008064.db2.gz ZZVXKCOEDBQXQV-UHFFFAOYSA-N 2 2 296.349 3.481 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc(C)c1F ZINC000417353890 235624818 /nfs/dbraw/zinc/62/48/18/235624818.db2.gz KGKXMOFRHAVNOP-CYBMUJFWSA-N 2 2 264.388 3.187 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000336344030 213191026 /nfs/dbraw/zinc/19/10/26/213191026.db2.gz VMWPMRAWAQQWOW-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000336344030 213191029 /nfs/dbraw/zinc/19/10/29/213191029.db2.gz VMWPMRAWAQQWOW-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000124376609 138374711 /nfs/dbraw/zinc/37/47/11/138374711.db2.gz NPAPTZDYXFFFML-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000124376609 138374712 /nfs/dbraw/zinc/37/47/12/138374712.db2.gz NPAPTZDYXFFFML-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124765274 138377713 /nfs/dbraw/zinc/37/77/13/138377713.db2.gz SXVXKIRNKVQQHZ-CYBMUJFWSA-N 2 2 263.429 3.466 20 0 CGADLP Cc1oncc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000129074921 138396061 /nfs/dbraw/zinc/39/60/61/138396061.db2.gz WWSHLUSHYNAPCL-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1oncc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000129074921 138396063 /nfs/dbraw/zinc/39/60/63/138396063.db2.gz WWSHLUSHYNAPCL-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786952 235919118 /nfs/dbraw/zinc/91/91/18/235919118.db2.gz PIRYRUPROZBWDK-WQVCFCJDSA-N 2 2 296.842 3.148 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423231966 236004764 /nfs/dbraw/zinc/00/47/64/236004764.db2.gz BNAFLKRSXJXYTQ-GUYCJALGSA-N 2 2 270.376 3.046 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)oc1C ZINC000423236046 236005615 /nfs/dbraw/zinc/00/56/15/236005615.db2.gz HEKLISAYFGPBGA-DOMZBBRYSA-N 2 2 258.365 3.247 20 0 CGADLP c1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240928 236006805 /nfs/dbraw/zinc/00/68/05/236006805.db2.gz UKWJRWGEOHPVTA-RTBURBONSA-N 2 2 280.415 3.312 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)o1 ZINC000423254030 236009639 /nfs/dbraw/zinc/00/96/39/236009639.db2.gz ZPOCEWCVIWANEE-BLLLJJGKSA-N 2 2 258.365 3.247 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000423252583 236009703 /nfs/dbraw/zinc/00/97/03/236009703.db2.gz XRTXUZFOHXNTNO-MOPGFXCFSA-N 2 2 280.415 3.297 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCC12CCCC2)c1ccccc1 ZINC000423254492 236009839 /nfs/dbraw/zinc/00/98/39/236009839.db2.gz YFDGBFFDSPGRPZ-CVEARBPZSA-N 2 2 258.409 3.389 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423263503 236013872 /nfs/dbraw/zinc/01/38/72/236013872.db2.gz OOQYBQRBPUGLLK-WCQYABFASA-N 2 2 284.831 3.373 20 0 CGADLP C[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCC[NH2+]C1 ZINC000423349089 236047454 /nfs/dbraw/zinc/04/74/54/236047454.db2.gz VAWQXUZLRCYIIG-RTBURBONSA-N 2 2 295.430 3.150 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000423361785 236050059 /nfs/dbraw/zinc/05/00/59/236050059.db2.gz MOZBXGCBIWVPQO-BFVZDQMLSA-N 2 2 270.779 3.128 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423378733 236056143 /nfs/dbraw/zinc/05/61/43/236056143.db2.gz ZRBMTXZFRXTUGM-RSLMWUCJSA-N 2 2 282.478 3.261 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000423380829 236057882 /nfs/dbraw/zinc/05/78/82/236057882.db2.gz YTCBAZVXZVBRNS-BLLLJJGKSA-N 2 2 274.795 3.366 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1C ZINC000423407065 236066914 /nfs/dbraw/zinc/06/69/14/236066914.db2.gz VGEWGOSDAMIOND-QISBLDNZSA-N 2 2 268.404 3.474 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(F)c2)c1 ZINC000423423469 236068741 /nfs/dbraw/zinc/06/87/41/236068741.db2.gz DOPCKRCEAVZCEM-ZSYWTGECSA-N 2 2 296.389 3.031 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423439791 236070905 /nfs/dbraw/zinc/07/09/05/236070905.db2.gz IDNHHJZGCYLRLS-CIUDSAMLSA-N 2 2 261.196 3.380 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)ccc1SC ZINC000423561055 236099225 /nfs/dbraw/zinc/09/92/25/236099225.db2.gz POPDETOYSTYOLX-JSGCOSHPSA-N 2 2 294.464 3.210 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000424137454 236123305 /nfs/dbraw/zinc/12/33/05/236123305.db2.gz BXALHXHXZHNCHU-OLZOCXBDSA-N 2 2 282.378 3.236 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c(Cl)c1 ZINC000424258404 236136880 /nfs/dbraw/zinc/13/68/80/236136880.db2.gz LXPUOXMHDNIQLL-ZDUSSCGKSA-N 2 2 296.842 3.485 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327518 236150004 /nfs/dbraw/zinc/15/00/04/236150004.db2.gz MSOIKWCOODROBO-WQANXHIZSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424327518 236150007 /nfs/dbraw/zinc/15/00/07/236150007.db2.gz MSOIKWCOODROBO-WQANXHIZSA-N 2 2 299.462 3.070 20 0 CGADLP C[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000237560276 138517340 /nfs/dbraw/zinc/51/73/40/138517340.db2.gz FYNNXBKUDWGWON-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[C@H]2C2CCC2)c[nH+]1 ZINC000425346586 236233655 /nfs/dbraw/zinc/23/36/55/236233655.db2.gz BPIXSIDNAWWEGC-IRXDYDNUSA-N 2 2 258.409 3.348 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427878188 236351767 /nfs/dbraw/zinc/35/17/67/236351767.db2.gz VFJRKZAMIKQOLC-JSGCOSHPSA-N 2 2 281.359 3.295 20 0 CGADLP COc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427885198 236353458 /nfs/dbraw/zinc/35/34/58/236353458.db2.gz ILXKTUKEIIYYFJ-CRAIPNDOSA-N 2 2 299.418 3.193 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427897439 236353867 /nfs/dbraw/zinc/35/38/67/236353867.db2.gz XYPYZUVXDGGHGR-NVXWUHKLSA-N 2 2 295.430 3.482 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000294823281 199199165 /nfs/dbraw/zinc/19/91/65/199199165.db2.gz MWPGFZIVTUGQJA-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000294823281 199199167 /nfs/dbraw/zinc/19/91/67/199199167.db2.gz MWPGFZIVTUGQJA-WFASDCNBSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000294842860 199208248 /nfs/dbraw/zinc/20/82/48/199208248.db2.gz OKAMXJFMFOZXKD-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000294842860 199208250 /nfs/dbraw/zinc/20/82/50/199208250.db2.gz OKAMXJFMFOZXKD-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP CO[C@H](C[NH2+]CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000294917828 199247150 /nfs/dbraw/zinc/24/71/50/199247150.db2.gz YMMHSABBONRMHM-IBGZPJMESA-N 2 2 298.430 3.170 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CCCCCOc1ccccc1)CC2 ZINC000437987267 237399280 /nfs/dbraw/zinc/39/92/80/237399280.db2.gz PBVIBVYNCDOLIE-INIZCTEOSA-N 2 2 299.418 3.037 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000297663964 200256240 /nfs/dbraw/zinc/25/62/40/200256240.db2.gz JSBLMWVJUPAQIF-HNNXBMFYSA-N 2 2 275.783 3.063 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000297663964 200256242 /nfs/dbraw/zinc/25/62/42/200256242.db2.gz JSBLMWVJUPAQIF-HNNXBMFYSA-N 2 2 275.783 3.063 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190576 189035333 /nfs/dbraw/zinc/03/53/33/189035333.db2.gz LFIKERJQEYKFAZ-PVAVHDDUSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177190576 189035334 /nfs/dbraw/zinc/03/53/34/189035334.db2.gz LFIKERJQEYKFAZ-PVAVHDDUSA-N 2 2 296.418 3.420 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CCCCC1 ZINC000177209011 189037151 /nfs/dbraw/zinc/03/71/51/189037151.db2.gz YWORGPKDISFIHK-CQSZACIVSA-N 2 2 284.407 3.326 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970038 189082302 /nfs/dbraw/zinc/08/23/02/189082302.db2.gz GOPLDIVSDOLNHU-JKIFEVAISA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000177970038 189082303 /nfs/dbraw/zinc/08/23/03/189082303.db2.gz GOPLDIVSDOLNHU-JKIFEVAISA-N 2 2 299.418 3.160 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178449348 189117358 /nfs/dbraw/zinc/11/73/58/189117358.db2.gz QYPKJRIGERWUTC-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178449348 189117359 /nfs/dbraw/zinc/11/73/59/189117359.db2.gz QYPKJRIGERWUTC-XYJFISCASA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000439118112 238230662 /nfs/dbraw/zinc/23/06/62/238230662.db2.gz UYQOOCYREIHWLG-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000439118112 238230666 /nfs/dbraw/zinc/23/06/66/238230666.db2.gz UYQOOCYREIHWLG-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439314131 238250450 /nfs/dbraw/zinc/25/04/50/238250450.db2.gz GRKJPTWHQPZCIV-YJBOKZPZSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439314131 238250453 /nfs/dbraw/zinc/25/04/53/238250453.db2.gz GRKJPTWHQPZCIV-YJBOKZPZSA-N 2 2 283.419 3.460 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H]2CCCc3occc32)[nH+]1 ZINC000179417814 189193031 /nfs/dbraw/zinc/19/30/31/189193031.db2.gz MFWFBHBHMMEJPT-AWEZNQCLSA-N 2 2 267.332 3.095 20 0 CGADLP CCc1ccc(C(C)(C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000179674778 189212496 /nfs/dbraw/zinc/21/24/96/189212496.db2.gz IAHZNIGWCCXJSG-UHFFFAOYSA-N 2 2 271.408 3.361 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)oc21 ZINC000180360870 189251661 /nfs/dbraw/zinc/25/16/61/189251661.db2.gz SMUJDHXKDURLMT-CYBMUJFWSA-N 2 2 299.374 3.379 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)oc21 ZINC000180360886 189251893 /nfs/dbraw/zinc/25/18/93/189251893.db2.gz SMUJDHXKDURLMT-ZDUSSCGKSA-N 2 2 299.374 3.379 20 0 CGADLP CCCCc1nc(C[N@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000181083685 189287593 /nfs/dbraw/zinc/28/75/93/189287593.db2.gz YITGWVULODPBEZ-UHFFFAOYSA-N 2 2 292.452 3.204 20 0 CGADLP CCCCc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000181083685 189287594 /nfs/dbraw/zinc/28/75/94/189287594.db2.gz YITGWVULODPBEZ-UHFFFAOYSA-N 2 2 292.452 3.204 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181140307 189288859 /nfs/dbraw/zinc/28/88/59/189288859.db2.gz SGJPIKZEYNYIRW-CYBMUJFWSA-N 2 2 296.374 3.422 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000181119292 189289179 /nfs/dbraw/zinc/28/91/79/189289179.db2.gz UOTRNMILNDBFAC-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000181119292 189289180 /nfs/dbraw/zinc/28/91/80/189289180.db2.gz UOTRNMILNDBFAC-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000181119292 189289181 /nfs/dbraw/zinc/28/91/81/189289181.db2.gz UOTRNMILNDBFAC-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181119292 189289182 /nfs/dbraw/zinc/28/91/82/189289182.db2.gz UOTRNMILNDBFAC-UONOGXRCSA-N 2 2 287.407 3.162 20 0 CGADLP CCC[NH+]1CCC(CNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000301563975 201071423 /nfs/dbraw/zinc/07/14/23/201071423.db2.gz YRFIASMCKUDXAP-UHFFFAOYSA-N 2 2 290.455 3.308 20 0 CGADLP CC(C)[NH+](CCNc1cc[nH+]c(C(C)(C)C)n1)C(C)C ZINC000301575978 201076936 /nfs/dbraw/zinc/07/69/36/201076936.db2.gz YRSIOZUZDGVYQE-UHFFFAOYSA-N 2 2 278.444 3.305 20 0 CGADLP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301644854 201111363 /nfs/dbraw/zinc/11/13/63/201111363.db2.gz NKJVDYSLVBURIU-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301644854 201111364 /nfs/dbraw/zinc/11/13/64/201111364.db2.gz NKJVDYSLVBURIU-AWEZNQCLSA-N 2 2 276.428 3.052 20 0 CGADLP c1cc2[nH+]ccc(N3CC[C@H](Oc4cc[nH+]cc4)C3)c2s1 ZINC000301657846 201121017 /nfs/dbraw/zinc/12/10/17/201121017.db2.gz VZTKXXSQZZWSGA-ZDUSSCGKSA-N 2 2 297.383 3.349 20 0 CGADLP c1cc2[nH+]ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2s1 ZINC000301657845 201121882 /nfs/dbraw/zinc/12/18/82/201121882.db2.gz VZTKXXSQZZWSGA-CYBMUJFWSA-N 2 2 297.383 3.349 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000301666283 201124004 /nfs/dbraw/zinc/12/40/04/201124004.db2.gz WTLBJAHWRRPIPJ-HNNXBMFYSA-N 2 2 259.397 3.066 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000301666283 201124005 /nfs/dbraw/zinc/12/40/05/201124005.db2.gz WTLBJAHWRRPIPJ-HNNXBMFYSA-N 2 2 259.397 3.066 20 0 CGADLP Cc1ccc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183161806 189348260 /nfs/dbraw/zinc/34/82/60/189348260.db2.gz FFGZEUDDZDNDHE-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1ccc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183161806 189348261 /nfs/dbraw/zinc/34/82/61/189348261.db2.gz FFGZEUDDZDNDHE-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449158645 239209859 /nfs/dbraw/zinc/20/98/59/239209859.db2.gz ZOORCJYPNGDQBU-AWEZNQCLSA-N 2 2 284.488 3.290 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)Cc2ccoc2)[NH+](C)C)cc1 ZINC000449109063 239183723 /nfs/dbraw/zinc/18/37/23/239183723.db2.gz XFXDONWLWVTWQE-QAPCUYQASA-N 2 2 286.419 3.412 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449158646 239210618 /nfs/dbraw/zinc/21/06/18/239210618.db2.gz ZOORCJYPNGDQBU-CQSZACIVSA-N 2 2 284.488 3.290 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(CF)CC2)c[nH+]1 ZINC000449453826 239439978 /nfs/dbraw/zinc/43/99/78/239439978.db2.gz ISMAUUDAEKCSKW-UHFFFAOYSA-N 2 2 250.361 3.004 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457258 370769966 /nfs/dbraw/zinc/76/99/66/370769966.db2.gz BHWSDVAOCVSBRT-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000120457258 370769973 /nfs/dbraw/zinc/76/99/73/370769973.db2.gz BHWSDVAOCVSBRT-LPHOPBHVSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1Cl ZINC000422757692 299343011 /nfs/dbraw/zinc/34/30/11/299343011.db2.gz IUCJBJMWNOZWQF-IUCAKERBSA-N 2 2 273.207 3.252 20 0 CGADLP COC[C@@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451204047 240249237 /nfs/dbraw/zinc/24/92/37/240249237.db2.gz SEKAUDSPSKPWJH-SFHVURJKSA-N 2 2 299.418 3.039 20 0 CGADLP COC[C@@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451204047 240249240 /nfs/dbraw/zinc/24/92/40/240249240.db2.gz SEKAUDSPSKPWJH-SFHVURJKSA-N 2 2 299.418 3.039 20 0 CGADLP CCC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000120905532 370811398 /nfs/dbraw/zinc/81/13/98/370811398.db2.gz KEUWMSZATIMTKJ-OAHLLOKOSA-N 2 2 284.407 3.279 20 0 CGADLP CCC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000120905532 370811401 /nfs/dbraw/zinc/81/14/01/370811401.db2.gz KEUWMSZATIMTKJ-OAHLLOKOSA-N 2 2 284.407 3.279 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706279 193110405 /nfs/dbraw/zinc/11/04/05/193110405.db2.gz RECGXIQGDRUHAT-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706279 193110407 /nfs/dbraw/zinc/11/04/07/193110407.db2.gz RECGXIQGDRUHAT-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706279 193110408 /nfs/dbraw/zinc/11/04/08/193110408.db2.gz RECGXIQGDRUHAT-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000275706279 193110410 /nfs/dbraw/zinc/11/04/10/193110410.db2.gz RECGXIQGDRUHAT-ABAIWWIYSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453615540 240976719 /nfs/dbraw/zinc/97/67/19/240976719.db2.gz FUTSOQFAGFXBTP-CJNGLKHVSA-N 2 2 257.381 3.393 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CC2(CCC2)C1 ZINC000459485850 242122717 /nfs/dbraw/zinc/12/27/17/242122717.db2.gz ULODTWNMMKZHHF-UHFFFAOYSA-N 2 2 283.419 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@@H+]1C ZINC000459483388 242123507 /nfs/dbraw/zinc/12/35/07/242123507.db2.gz ONEGOJPIDVTDLF-DYVFJYSZSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCC[N@H+]1C ZINC000459483388 242123512 /nfs/dbraw/zinc/12/35/12/242123512.db2.gz ONEGOJPIDVTDLF-DYVFJYSZSA-N 2 2 258.409 3.136 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459367647 242090717 /nfs/dbraw/zinc/09/07/17/242090717.db2.gz MSRQTAWWDXXPQY-UHFFFAOYSA-N 2 2 260.425 3.037 20 0 CGADLP CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459678050 242177649 /nfs/dbraw/zinc/17/76/49/242177649.db2.gz QLHJRZMMQNCSIO-GOSISDBHSA-N 2 2 299.418 3.263 20 0 CGADLP CCOC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459678050 242177658 /nfs/dbraw/zinc/17/76/58/242177658.db2.gz QLHJRZMMQNCSIO-GOSISDBHSA-N 2 2 299.418 3.263 20 0 CGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2)c[nH+]1 ZINC000459758187 242215252 /nfs/dbraw/zinc/21/52/52/242215252.db2.gz LHADAMADAIDXBF-BYCMXARLSA-N 2 2 273.405 3.212 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000462673018 242357120 /nfs/dbraw/zinc/35/71/20/242357120.db2.gz HFLKQIIPSMIDBH-UGUYLWEFSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000462673018 242357125 /nfs/dbraw/zinc/35/71/25/242357125.db2.gz HFLKQIIPSMIDBH-UGUYLWEFSA-N 2 2 252.446 3.418 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000462831385 242368811 /nfs/dbraw/zinc/36/88/11/242368811.db2.gz BLRVJVNQDNWZSX-OAHLLOKOSA-N 2 2 278.465 3.311 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000462831385 242368816 /nfs/dbraw/zinc/36/88/16/242368816.db2.gz BLRVJVNQDNWZSX-OAHLLOKOSA-N 2 2 278.465 3.311 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000479449773 243105108 /nfs/dbraw/zinc/10/51/08/243105108.db2.gz HYAFWGXTYSVIDX-RHSMWYFYSA-N 2 2 260.425 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000479449773 243105111 /nfs/dbraw/zinc/10/51/11/243105111.db2.gz HYAFWGXTYSVIDX-RHSMWYFYSA-N 2 2 260.425 3.211 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000481582268 243196911 /nfs/dbraw/zinc/19/69/11/243196911.db2.gz NUIZKGBZOZPPNN-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000481582268 243196914 /nfs/dbraw/zinc/19/69/14/243196914.db2.gz NUIZKGBZOZPPNN-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)C)cc1 ZINC000482486054 243227158 /nfs/dbraw/zinc/22/71/58/243227158.db2.gz BONVOYGJFBOCQX-RDJZCZTQSA-N 2 2 262.441 3.102 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000482536678 243231388 /nfs/dbraw/zinc/23/13/88/243231388.db2.gz MUYMJVYLDLBNQT-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000482536678 243231391 /nfs/dbraw/zinc/23/13/91/243231391.db2.gz MUYMJVYLDLBNQT-DNVCBOLYSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000482536680 243232739 /nfs/dbraw/zinc/23/27/39/243232739.db2.gz MUYMJVYLDLBNQT-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000482536680 243232743 /nfs/dbraw/zinc/23/27/43/243232743.db2.gz MUYMJVYLDLBNQT-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000486965191 243389077 /nfs/dbraw/zinc/38/90/77/243389077.db2.gz JKCTVQCFGOWZOP-RHSMWYFYSA-N 2 2 287.451 3.070 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000031995078 368922594 /nfs/dbraw/zinc/92/25/94/368922594.db2.gz PSUTZUFBQQWBFO-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000031995078 368922601 /nfs/dbraw/zinc/92/26/01/368922601.db2.gz PSUTZUFBQQWBFO-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Cc1cc(NCC[NH+](C(C)C)C(C)C)nc(C(C)C)[nH+]1 ZINC000035121381 368997840 /nfs/dbraw/zinc/99/78/40/368997840.db2.gz FLHMXCZHSDCAHE-UHFFFAOYSA-N 2 2 278.444 3.439 20 0 CGADLP CC(C)CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932186 369040032 /nfs/dbraw/zinc/04/00/32/369040032.db2.gz LBDSQRURYZXOBR-OAHLLOKOSA-N 2 2 275.440 3.465 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000037157890 369072285 /nfs/dbraw/zinc/07/22/85/369072285.db2.gz UXNWIHNBVNSFQW-GJZGRUSLSA-N 2 2 257.381 3.239 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(Cl)o1 ZINC000037487741 369085768 /nfs/dbraw/zinc/08/57/68/369085768.db2.gz GRXRJMWTQQCGFI-UHFFFAOYSA-N 2 2 289.766 3.381 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000037977593 369129988 /nfs/dbraw/zinc/12/99/88/369129988.db2.gz RLMDIOKLBJVXMY-GOSISDBHSA-N 2 2 284.403 3.443 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc2ccccc21 ZINC000423363837 299397540 /nfs/dbraw/zinc/39/75/40/299397540.db2.gz NYZFBGXXGIHHHH-QWQRMKEZSA-N 2 2 268.404 3.488 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684767 369266016 /nfs/dbraw/zinc/26/60/16/369266016.db2.gz MILKMRPCCITPBC-GDBMZVCRSA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684767 369266023 /nfs/dbraw/zinc/26/60/23/369266023.db2.gz MILKMRPCCITPBC-GDBMZVCRSA-N 2 2 288.435 3.361 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000494394293 244285609 /nfs/dbraw/zinc/28/56/09/244285609.db2.gz UYFGKQMLOSGCNT-LBPRGKRZSA-N 2 2 289.448 3.347 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cc3ccccc3s1)CC2 ZINC000494410446 244285697 /nfs/dbraw/zinc/28/56/97/244285697.db2.gz GBTIEJHLZRHAQI-ZDUSSCGKSA-N 2 2 283.400 3.202 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411877 244288930 /nfs/dbraw/zinc/28/89/30/244288930.db2.gz PAMNBPJEZOWVNH-MRXNPFEDSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cncc(F)c1 ZINC000494612450 244304306 /nfs/dbraw/zinc/30/43/06/244304306.db2.gz HIZQPSWAMSYHCK-UHFFFAOYSA-N 2 2 298.365 3.059 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000045663817 369283885 /nfs/dbraw/zinc/28/38/85/369283885.db2.gz JBLRAEUMBKCDRD-LBPRGKRZSA-N 2 2 286.366 3.280 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000494931992 244333911 /nfs/dbraw/zinc/33/39/11/244333911.db2.gz RPDCNMXAFNKKDU-XUJVJEKNSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045116749 369275747 /nfs/dbraw/zinc/27/57/47/369275747.db2.gz REMKYYVDBDUDJD-WFASDCNBSA-N 2 2 255.365 3.321 20 0 CGADLP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419045 369469162 /nfs/dbraw/zinc/46/91/62/369469162.db2.gz FUQPBBPSIYDMBL-KRWDZBQOSA-N 2 2 260.425 3.067 20 0 CGADLP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419045 369469168 /nfs/dbraw/zinc/46/91/68/369469168.db2.gz FUQPBBPSIYDMBL-KRWDZBQOSA-N 2 2 260.425 3.067 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000054764761 369506559 /nfs/dbraw/zinc/50/65/59/369506559.db2.gz NFIOVKPOWIIVKC-VIFPVBQESA-N 2 2 269.270 3.279 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000414126876 296149396 /nfs/dbraw/zinc/14/93/96/296149396.db2.gz FJQAJOBYESCSSM-SSOQLKFYSA-N 2 2 260.425 3.312 20 0 CGADLP Cc1cc(N2CC[NH+](CCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000071816554 369811448 /nfs/dbraw/zinc/81/14/48/369811448.db2.gz RXOIDMIMPVGMSR-UHFFFAOYSA-N 2 2 290.455 3.077 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984869 369993624 /nfs/dbraw/zinc/99/36/24/369993624.db2.gz NHTSVLUHFBGPPR-HIFRSBDPSA-N 2 2 255.365 3.350 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984869 369993630 /nfs/dbraw/zinc/99/36/30/369993630.db2.gz NHTSVLUHFBGPPR-HIFRSBDPSA-N 2 2 255.365 3.350 20 0 CGADLP CCc1ccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000093263739 370113800 /nfs/dbraw/zinc/11/38/00/370113800.db2.gz QZNDCSFFYPYKLW-UHFFFAOYSA-N 2 2 281.403 3.235 20 0 CGADLP CCc1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000093263739 370113805 /nfs/dbraw/zinc/11/38/05/370113805.db2.gz QZNDCSFFYPYKLW-UHFFFAOYSA-N 2 2 281.403 3.235 20 0 CGADLP C1=CC[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000092218707 370094692 /nfs/dbraw/zinc/09/46/92/370094692.db2.gz LDUMKQPUNVZPDX-DLBZAZTESA-N 2 2 262.441 3.293 20 0 CGADLP C1=CC[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000092218707 370094698 /nfs/dbraw/zinc/09/46/98/370094698.db2.gz LDUMKQPUNVZPDX-DLBZAZTESA-N 2 2 262.441 3.293 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093645122 370152350 /nfs/dbraw/zinc/15/23/50/370152350.db2.gz MHZREMRFSSAQER-KBPBESRZSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093645122 370152351 /nfs/dbraw/zinc/15/23/51/370152351.db2.gz MHZREMRFSSAQER-KBPBESRZSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000093645122 370152353 /nfs/dbraw/zinc/15/23/53/370152353.db2.gz MHZREMRFSSAQER-KBPBESRZSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000093645122 370152354 /nfs/dbraw/zinc/15/23/54/370152354.db2.gz MHZREMRFSSAQER-KBPBESRZSA-N 2 2 295.496 3.256 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC)o2)C1 ZINC000093742178 370156217 /nfs/dbraw/zinc/15/62/17/370156217.db2.gz OEDNZIPUCCMHOT-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CC)o2)C1 ZINC000093742178 370156220 /nfs/dbraw/zinc/15/62/20/370156220.db2.gz OEDNZIPUCCMHOT-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC)o2)C1 ZINC000093742178 370156223 /nfs/dbraw/zinc/15/62/23/370156223.db2.gz OEDNZIPUCCMHOT-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CC)o2)C1 ZINC000093742178 370156225 /nfs/dbraw/zinc/15/62/25/370156225.db2.gz OEDNZIPUCCMHOT-CQSZACIVSA-N 2 2 264.413 3.006 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000097927607 370257733 /nfs/dbraw/zinc/25/77/33/370257733.db2.gz KMKNPTBUSOURGL-HNNXBMFYSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097929349 370257888 /nfs/dbraw/zinc/25/78/88/370257888.db2.gz LDZHOEWZXIMMEX-INIZCTEOSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2(C)CC2)[NH+](C)C)cc1 ZINC000118985762 370633793 /nfs/dbraw/zinc/63/37/93/370633793.db2.gz PSFHVKCZJWNCCB-HOCLYGCPSA-N 2 2 260.425 3.376 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@H]2CCCc2ccccc2)c[nH+]1 ZINC000131760265 371128422 /nfs/dbraw/zinc/12/84/22/371128422.db2.gz RDANLCPWMNGVFY-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@H]2CCCc2ccccc2)c[nH+]1 ZINC000131760265 371128426 /nfs/dbraw/zinc/12/84/26/371128426.db2.gz RDANLCPWMNGVFY-GOSISDBHSA-N 2 2 283.419 3.370 20 0 CGADLP CC(C)(C)c1nc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000132950103 371215185 /nfs/dbraw/zinc/21/51/85/371215185.db2.gz AXVWYPQWBVFPBK-UHFFFAOYSA-N 2 2 295.496 3.406 20 0 CGADLP Cc1cc(N(C)CCCn2cc[nH+]c2)c2cccc(F)c2[nH+]1 ZINC000133028655 371220166 /nfs/dbraw/zinc/22/01/66/371220166.db2.gz HMZAKOXVFUPOJU-UHFFFAOYSA-N 2 2 298.365 3.405 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235530546 189828901 /nfs/dbraw/zinc/82/89/01/189828901.db2.gz MNOMRGGRYROSLF-GWCFXTLKSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000134411045 371333971 /nfs/dbraw/zinc/33/39/71/371333971.db2.gz UEKIDJPDTQKMFC-MFKMUULPSA-N 2 2 287.234 3.423 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000134411045 371333975 /nfs/dbraw/zinc/33/39/75/371333975.db2.gz UEKIDJPDTQKMFC-MFKMUULPSA-N 2 2 287.234 3.423 20 0 CGADLP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135487041 371432684 /nfs/dbraw/zinc/43/26/84/371432684.db2.gz YFENBXXYWCLUKO-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP CSC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000135487041 371432689 /nfs/dbraw/zinc/43/26/89/371432689.db2.gz YFENBXXYWCLUKO-INIZCTEOSA-N 2 2 287.432 3.200 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000151155370 371578715 /nfs/dbraw/zinc/57/87/15/371578715.db2.gz SWCWCTINTROZAW-SFHVURJKSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151504945 371607761 /nfs/dbraw/zinc/60/77/61/371607761.db2.gz MCEJGTHNECAFFO-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@H](Nc1[nH+]cnc2[nH]ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000287677702 371693067 /nfs/dbraw/zinc/69/30/67/371693067.db2.gz JFAMSFDSLFOJFX-SWLSCSKDSA-N 2 2 295.390 3.061 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)F)c2ccccc2)CC[N@@H+]1C ZINC000421893698 371701086 /nfs/dbraw/zinc/70/10/86/371701086.db2.gz ZURQVXCEESJGGK-BPLDGKMQSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)F)c2ccccc2)CC[N@H+]1C ZINC000421893698 371701091 /nfs/dbraw/zinc/70/10/91/371701091.db2.gz ZURQVXCEESJGGK-BPLDGKMQSA-N 2 2 282.378 3.455 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000422697806 371757806 /nfs/dbraw/zinc/75/78/06/371757806.db2.gz WHLMFIFCFSKSDC-RDTXWAMCSA-N 2 2 266.388 3.366 20 0 CGADLP CCOc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422738665 371776746 /nfs/dbraw/zinc/77/67/46/371776746.db2.gz JSGLNSWGGWBDEV-QAPCUYQASA-N 2 2 298.430 3.133 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153797337 371788616 /nfs/dbraw/zinc/78/86/16/371788616.db2.gz USTUJMKAEIIBEL-GDBMZVCRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153797337 371788620 /nfs/dbraw/zinc/78/86/20/371788620.db2.gz USTUJMKAEIIBEL-GDBMZVCRSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422823501 371831048 /nfs/dbraw/zinc/83/10/48/371831048.db2.gz DKWVWXCRWRUCFA-CYBMUJFWSA-N 2 2 285.391 3.132 20 0 CGADLP Fc1ccc(C2=CC[C@H]([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000353349196 220039718 /nfs/dbraw/zinc/03/97/18/220039718.db2.gz QUQYZPKRLQATSM-SFHVURJKSA-N 2 2 288.410 3.447 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000422776746 371799480 /nfs/dbraw/zinc/79/94/80/371799480.db2.gz DJNPGKNLKBETJL-RKDXNWHRSA-N 2 2 273.207 3.252 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422806548 371821319 /nfs/dbraw/zinc/82/13/19/371821319.db2.gz NOLCLWWPDNSTGN-SJCJKPOMSA-N 2 2 290.357 3.013 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])co2)cc1 ZINC000422812136 371825428 /nfs/dbraw/zinc/82/54/28/371825428.db2.gz PZLYYFGATQLQGD-IAGOWNOFSA-N 2 2 299.418 3.400 20 0 CGADLP Fc1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000422870199 371846272 /nfs/dbraw/zinc/84/62/72/371846272.db2.gz BLQLGESZZWNQQQ-HZPDHXFCSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(F)c1)C1C[NH2+]C1 ZINC000422873002 371848158 /nfs/dbraw/zinc/84/81/58/371848158.db2.gz JLSOQZOOCRLMDJ-SCLBCKFNSA-N 2 2 284.378 3.113 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422877523 371850248 /nfs/dbraw/zinc/85/02/48/371850248.db2.gz RPFZTMWKKAVCHW-CVEARBPZSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422876838 371850255 /nfs/dbraw/zinc/85/02/55/371850255.db2.gz QSQBDBRHKCJOLB-CRAIPNDOSA-N 2 2 298.430 3.052 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422879901 371851699 /nfs/dbraw/zinc/85/16/99/371851699.db2.gz WBUDVPDHMGIACC-HIFRSBDPSA-N 2 2 278.465 3.337 20 0 CGADLP CCCCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422893331 371858091 /nfs/dbraw/zinc/85/80/91/371858091.db2.gz QBNIALLMSCFALB-PBHICJAKSA-N 2 2 276.424 3.096 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](OC)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422920742 371869558 /nfs/dbraw/zinc/86/95/58/371869558.db2.gz NOFRLGUUDJMIDA-PMPSAXMXSA-N 2 2 296.842 3.148 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC000154742744 371875274 /nfs/dbraw/zinc/87/52/74/371875274.db2.gz DWORZFPJQSRCGP-MIOHMZDASA-N 2 2 270.848 3.183 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC000154742744 371875278 /nfs/dbraw/zinc/87/52/78/371875278.db2.gz DWORZFPJQSRCGP-MIOHMZDASA-N 2 2 270.848 3.183 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1(CC)CC ZINC000344077354 217039998 /nfs/dbraw/zinc/03/99/98/217039998.db2.gz QMBVADAAMVEPAK-CWRNSKLLSA-N 2 2 282.472 3.043 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1(CC)CC ZINC000344077354 217040000 /nfs/dbraw/zinc/04/00/00/217040000.db2.gz QMBVADAAMVEPAK-CWRNSKLLSA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422859408 371842465 /nfs/dbraw/zinc/84/24/65/371842465.db2.gz KBKUXDNDTGGFFY-GOEBONIOSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000290204231 371934637 /nfs/dbraw/zinc/93/46/37/371934637.db2.gz PWJGLPHPOZGESA-RDTXWAMCSA-N 2 2 282.387 3.434 20 0 CGADLP c1ccc(CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422951338 371889319 /nfs/dbraw/zinc/88/93/19/371889319.db2.gz YDWGVAMDNRJECX-MOPGFXCFSA-N 2 2 280.415 3.312 20 0 CGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422954275 371890809 /nfs/dbraw/zinc/89/08/09/371890809.db2.gz HTRKYNGZWKEQLH-UAGQMJEPSA-N 2 2 288.435 3.124 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000155751952 371943180 /nfs/dbraw/zinc/94/31/80/371943180.db2.gz SORFOQVUOOLFBO-NSHDSACASA-N 2 2 299.296 3.133 20 0 CGADLP FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423015591 371915818 /nfs/dbraw/zinc/91/58/18/371915818.db2.gz KZJGYOLRIOKSQZ-UONOGXRCSA-N 2 2 284.325 3.108 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423029996 371924775 /nfs/dbraw/zinc/92/47/75/371924775.db2.gz AZWDUDSQJIVCPV-MPTQWLOMSA-N 2 2 296.842 3.146 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)c1nccs1 ZINC000290329742 371963724 /nfs/dbraw/zinc/96/37/24/371963724.db2.gz KFOGNXSOJATFJA-CYBMUJFWSA-N 2 2 275.421 3.172 20 0 CGADLP CSCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423111612 371973058 /nfs/dbraw/zinc/97/30/58/371973058.db2.gz QSIKDKFQSNRKPM-BBRMVZONSA-N 2 2 278.465 3.170 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129181 371982252 /nfs/dbraw/zinc/98/22/52/371982252.db2.gz DYYLOMVLMPMZSQ-SWLSCSKDSA-N 2 2 274.433 3.031 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)n2c1 ZINC000290447484 371991664 /nfs/dbraw/zinc/99/16/64/371991664.db2.gz MFIZTYZVIITEAZ-NZSAHSFTSA-N 2 2 289.382 3.071 20 0 CGADLP CC/C=C/C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423165459 371997608 /nfs/dbraw/zinc/99/76/08/371997608.db2.gz XYRHZPOAZDJPLX-XPQDNOAISA-N 2 2 274.408 3.044 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290487590 372000196 /nfs/dbraw/zinc/00/01/96/372000196.db2.gz VQYKSYLXBAYBCL-KRWDZBQOSA-N 3 2 291.483 3.423 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC000423192671 372019037 /nfs/dbraw/zinc/01/90/37/372019037.db2.gz QBMDUVXSBJLXLI-HOCLYGCPSA-N 2 2 262.397 3.161 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC000157424805 372020797 /nfs/dbraw/zinc/02/07/97/372020797.db2.gz NFEQZSOMAKSLAE-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC000157424805 372020802 /nfs/dbraw/zinc/02/08/02/372020802.db2.gz NFEQZSOMAKSLAE-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000344152717 217076915 /nfs/dbraw/zinc/07/69/15/217076915.db2.gz IAQBYVHCEHCTPO-UHFFFAOYSA-N 2 2 289.345 3.326 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000344152717 217076918 /nfs/dbraw/zinc/07/69/18/217076918.db2.gz IAQBYVHCEHCTPO-UHFFFAOYSA-N 2 2 289.345 3.326 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1Cl ZINC000423200887 372025201 /nfs/dbraw/zinc/02/52/01/372025201.db2.gz GUGVYYQCCGRPPX-SMDDNHRTSA-N 2 2 285.218 3.396 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(F)cn1 ZINC000423204573 372028834 /nfs/dbraw/zinc/02/88/34/372028834.db2.gz UUCMNOAZDGWFOT-CQSZACIVSA-N 2 2 279.403 3.313 20 0 CGADLP CCCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423212024 372033458 /nfs/dbraw/zinc/03/34/58/372033458.db2.gz ZKRDWFKVNIXXIP-GOEBONIOSA-N 2 2 276.424 3.268 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423378369 372058776 /nfs/dbraw/zinc/05/87/76/372058776.db2.gz FUHSDXIVMRMQDK-MLGOLLRUSA-N 2 2 271.408 3.133 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423177175 372006127 /nfs/dbraw/zinc/00/61/27/372006127.db2.gz AOLSNNLLAUAJRM-STQMWFEESA-N 2 2 272.367 3.382 20 0 CGADLP COC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(C)o1 ZINC000290522340 372008881 /nfs/dbraw/zinc/00/88/81/372008881.db2.gz XSKJYYKSXZUWHW-INIZCTEOSA-N 2 2 288.391 3.201 20 0 CGADLP CC[NH+](CC)[C@H](CNc1cccc(C)[nH+]1)c1ccco1 ZINC000157270991 372014042 /nfs/dbraw/zinc/01/40/42/372014042.db2.gz SPZJLTQESPXTKG-CQSZACIVSA-N 2 2 273.380 3.478 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423544425 372071911 /nfs/dbraw/zinc/07/19/11/372071911.db2.gz DABUQMINEFIIFZ-QWHCGFSZSA-N 2 2 298.377 3.389 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000040672069 541868164 /nfs/dbraw/zinc/86/81/64/541868164.db2.gz BTFIOSXCAQHQOJ-NWDGAFQWSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000040672069 541868166 /nfs/dbraw/zinc/86/81/66/541868166.db2.gz BTFIOSXCAQHQOJ-NWDGAFQWSA-N 2 2 284.350 3.033 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH+](C)C)C2CCC2)cc1 ZINC000427719314 372175782 /nfs/dbraw/zinc/17/57/82/372175782.db2.gz PCXXSGOIINANCQ-WMLDXEAASA-N 2 2 260.425 3.376 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000291155968 372128781 /nfs/dbraw/zinc/12/87/81/372128781.db2.gz LNCJHILLPWDAMT-PMPSAXMXSA-N 2 2 267.376 3.145 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000291155968 372128787 /nfs/dbraw/zinc/12/87/87/372128787.db2.gz LNCJHILLPWDAMT-PMPSAXMXSA-N 2 2 267.376 3.145 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671916 541868090 /nfs/dbraw/zinc/86/80/90/541868090.db2.gz NWYPHNMAYHBCIV-NEPJUHHUSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1C(F)(F)F ZINC000040671916 541868093 /nfs/dbraw/zinc/86/80/93/541868093.db2.gz NWYPHNMAYHBCIV-NEPJUHHUSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000428543219 372228881 /nfs/dbraw/zinc/22/88/81/372228881.db2.gz HJHQTLZQKDVXNB-BPQIPLTHSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000428543219 372228885 /nfs/dbraw/zinc/22/88/85/372228885.db2.gz HJHQTLZQKDVXNB-BPQIPLTHSA-N 2 2 284.447 3.429 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344299056 217138635 /nfs/dbraw/zinc/13/86/35/217138635.db2.gz GCPREUVHOWGUPS-YJBOKZPZSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344299056 217138636 /nfs/dbraw/zinc/13/86/36/217138636.db2.gz GCPREUVHOWGUPS-YJBOKZPZSA-N 2 2 290.451 3.294 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429036758 372307055 /nfs/dbraw/zinc/30/70/55/372307055.db2.gz REMDFHAPWGAWGA-IAGOWNOFSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429036758 372307059 /nfs/dbraw/zinc/30/70/59/372307059.db2.gz REMDFHAPWGAWGA-IAGOWNOFSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429036758 372307061 /nfs/dbraw/zinc/30/70/61/372307061.db2.gz REMDFHAPWGAWGA-IAGOWNOFSA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429036758 372307067 /nfs/dbraw/zinc/30/70/67/372307067.db2.gz REMDFHAPWGAWGA-IAGOWNOFSA-N 2 2 294.389 3.444 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344323608 217149016 /nfs/dbraw/zinc/14/90/16/217149016.db2.gz IRXNUPQDDOQOEE-RHSMWYFYSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344323608 217149019 /nfs/dbraw/zinc/14/90/19/217149019.db2.gz IRXNUPQDDOQOEE-RHSMWYFYSA-N 2 2 276.424 3.048 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000293372384 372367427 /nfs/dbraw/zinc/36/74/27/372367427.db2.gz HXIQEOBEJGWLGH-IAGOWNOFSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000293372384 372367431 /nfs/dbraw/zinc/36/74/31/372367431.db2.gz HXIQEOBEJGWLGH-IAGOWNOFSA-N 2 2 288.410 3.420 20 0 CGADLP CCc1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148780 372435717 /nfs/dbraw/zinc/43/57/17/372435717.db2.gz ZKYYZMZOANJLOB-IBGZPJMESA-N 2 2 296.414 3.340 20 0 CGADLP CCc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148780 372435722 /nfs/dbraw/zinc/43/57/22/372435722.db2.gz ZKYYZMZOANJLOB-IBGZPJMESA-N 2 2 296.414 3.340 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@@H+]1C ZINC000293718470 372460790 /nfs/dbraw/zinc/46/07/90/372460790.db2.gz PJOSSEFDIZUKNV-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@H+]1C ZINC000293718470 372460798 /nfs/dbraw/zinc/46/07/98/372460798.db2.gz PJOSSEFDIZUKNV-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c[nH]c21 ZINC000164439568 372517509 /nfs/dbraw/zinc/51/75/09/372517509.db2.gz QGVXHFGNCCYGLZ-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP Cc1cccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c[nH]c21 ZINC000164439568 372517518 /nfs/dbraw/zinc/51/75/18/372517518.db2.gz QGVXHFGNCCYGLZ-ZBFHGGJFSA-N 2 2 297.446 3.234 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000166901200 372584728 /nfs/dbraw/zinc/58/47/28/372584728.db2.gz UYAIEAIOCRVVON-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1F ZINC000166901200 372584737 /nfs/dbraw/zinc/58/47/37/372584737.db2.gz UYAIEAIOCRVVON-GFCCVEGCSA-N 2 2 270.779 3.182 20 0 CGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000167886470 372603738 /nfs/dbraw/zinc/60/37/38/372603738.db2.gz INCBNOQCTYJDMP-RHSMWYFYSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000167854267 372605401 /nfs/dbraw/zinc/60/54/01/372605401.db2.gz YSAUQEZFBPPTSV-BFYDXBDKSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434991108 372724349 /nfs/dbraw/zinc/72/43/49/372724349.db2.gz LBPOIZZUASZRSP-RHSMWYFYSA-N 2 2 291.439 3.184 20 0 CGADLP c1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435052992 372730315 /nfs/dbraw/zinc/73/03/15/372730315.db2.gz LEYKBRWTIIPDAV-BHIYHBOVSA-N 2 2 294.398 3.338 20 0 CGADLP c1ccc([C@H]2C[C@@H]2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000435052992 372730323 /nfs/dbraw/zinc/73/03/23/372730323.db2.gz LEYKBRWTIIPDAV-BHIYHBOVSA-N 2 2 294.398 3.338 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295399917 372765197 /nfs/dbraw/zinc/76/51/97/372765197.db2.gz QQOUBLJUNFTIMH-ZDUSSCGKSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295399917 372765205 /nfs/dbraw/zinc/76/52/05/372765205.db2.gz QQOUBLJUNFTIMH-ZDUSSCGKSA-N 2 2 261.394 3.159 20 0 CGADLP CCCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC)cc1 ZINC000171440461 372763054 /nfs/dbraw/zinc/76/30/54/372763054.db2.gz VPXYYYGCEXNUPV-INIZCTEOSA-N 2 2 273.380 3.439 20 0 CGADLP CSc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171933654 372857095 /nfs/dbraw/zinc/85/70/95/372857095.db2.gz YZJAODHYADIUNB-UHFFFAOYSA-N 2 2 287.432 3.442 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438205172 372911428 /nfs/dbraw/zinc/91/14/28/372911428.db2.gz XLMDHDBKZBASOP-ROUUACIJSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000438205172 372911439 /nfs/dbraw/zinc/91/14/39/372911439.db2.gz XLMDHDBKZBASOP-ROUUACIJSA-N 2 2 274.452 3.427 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789777 373082868 /nfs/dbraw/zinc/08/28/68/373082868.db2.gz KSSGDMXRLXKIEQ-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442789777 373082878 /nfs/dbraw/zinc/08/28/78/373082878.db2.gz KSSGDMXRLXKIEQ-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCC(C)(C)C)Cc1ccco1 ZINC000353550763 220153451 /nfs/dbraw/zinc/15/34/51/220153451.db2.gz PQSVPUZXMSDPGH-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)CCC(C)(C)C)Cc1ccco1 ZINC000353550763 220153452 /nfs/dbraw/zinc/15/34/52/220153452.db2.gz PQSVPUZXMSDPGH-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(C)(C)C ZINC000353550763 220153454 /nfs/dbraw/zinc/15/34/54/220153454.db2.gz PQSVPUZXMSDPGH-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(C)(C)C ZINC000353550763 220153455 /nfs/dbraw/zinc/15/34/55/220153455.db2.gz PQSVPUZXMSDPGH-UHFFFAOYSA-N 2 2 266.429 3.470 20 0 CGADLP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000344846625 217330681 /nfs/dbraw/zinc/33/06/81/217330681.db2.gz FAUAYODGMOLJDF-SJORKVTESA-N 2 2 285.391 3.198 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000173781679 373190935 /nfs/dbraw/zinc/19/09/35/373190935.db2.gz RUTPVRKZWYVAAH-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000173781679 373190938 /nfs/dbraw/zinc/19/09/38/373190938.db2.gz RUTPVRKZWYVAAH-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000174075359 373245266 /nfs/dbraw/zinc/24/52/66/373245266.db2.gz BQQOQRJENQUWCR-CVEARBPZSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)c1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000174075359 373245271 /nfs/dbraw/zinc/24/52/71/373245271.db2.gz BQQOQRJENQUWCR-CVEARBPZSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098286 373250187 /nfs/dbraw/zinc/25/01/87/373250187.db2.gz NQWLSAHQCJSDGG-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000174098286 373250196 /nfs/dbraw/zinc/25/01/96/373250196.db2.gz NQWLSAHQCJSDGG-APWZRJJASA-N 2 2 295.430 3.397 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000174135631 373256309 /nfs/dbraw/zinc/25/63/09/373256309.db2.gz JSAQFTIFAPEPJD-SJLPKXTDSA-N 2 2 299.418 3.166 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(C)CC1 ZINC000353593289 220179789 /nfs/dbraw/zinc/17/97/89/220179789.db2.gz CQXUIOYASNKVPR-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000446756177 373359677 /nfs/dbraw/zinc/35/96/77/373359677.db2.gz DUMIQKHZCYHBIF-INIZCTEOSA-N 2 2 282.472 3.046 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000446770803 373362311 /nfs/dbraw/zinc/36/23/11/373362311.db2.gz WJWDKTUKUFENIE-KRWDZBQOSA-N 2 2 272.436 3.422 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000446770803 373362315 /nfs/dbraw/zinc/36/23/15/373362315.db2.gz WJWDKTUKUFENIE-KRWDZBQOSA-N 2 2 272.436 3.422 20 0 CGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000299006130 373444809 /nfs/dbraw/zinc/44/48/09/373444809.db2.gz DUNBKRKAOWSEIJ-KRWDZBQOSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000299006130 373444820 /nfs/dbraw/zinc/44/48/20/373444820.db2.gz DUNBKRKAOWSEIJ-KRWDZBQOSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@@H](C[NH2+]CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447811770 373496904 /nfs/dbraw/zinc/49/69/04/373496904.db2.gz HQGVYAKVOIJZOT-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](C[NH2+]CC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000447811770 373496910 /nfs/dbraw/zinc/49/69/10/373496910.db2.gz HQGVYAKVOIJZOT-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447900137 373520854 /nfs/dbraw/zinc/52/08/54/373520854.db2.gz ABEUMBDAQAECFV-STEAMIEHSA-N 2 2 286.463 3.453 20 0 CGADLP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447900137 373520865 /nfs/dbraw/zinc/52/08/65/373520865.db2.gz ABEUMBDAQAECFV-STEAMIEHSA-N 2 2 286.463 3.453 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447938488 373523617 /nfs/dbraw/zinc/52/36/17/373523617.db2.gz GEQOUWOCQQDOIW-CHWSQXEVSA-N 2 2 295.496 3.403 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000447941488 373527710 /nfs/dbraw/zinc/52/77/10/373527710.db2.gz KMRJRODDESYUSH-LBPRGKRZSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000447941488 373527723 /nfs/dbraw/zinc/52/77/23/373527723.db2.gz KMRJRODDESYUSH-LBPRGKRZSA-N 2 2 293.480 3.015 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC3(CCC3)C2)[nH+]1 ZINC000448058951 373543720 /nfs/dbraw/zinc/54/37/20/373543720.db2.gz UYYKXCOSUZTRAJ-UHFFFAOYSA-N 2 2 295.430 3.396 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]C3CC4(CCC4)C3)[nH]c2c1 ZINC000448078886 373548357 /nfs/dbraw/zinc/54/83/57/373548357.db2.gz XFWOWENUMLUQAR-UHFFFAOYSA-N 2 2 269.392 3.418 20 0 CGADLP c1ccc2[nH+]c(NCC[N@@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000301083987 373654862 /nfs/dbraw/zinc/65/48/62/373654862.db2.gz VURLCCYUWBVLIK-UHFFFAOYSA-N 2 2 292.386 3.033 20 0 CGADLP c1ccc2[nH+]c(NCC[N@H+]3CCc4ccccc4C3)[nH]c2c1 ZINC000301083987 373654864 /nfs/dbraw/zinc/65/48/64/373654864.db2.gz VURLCCYUWBVLIK-UHFFFAOYSA-N 2 2 292.386 3.033 20 0 CGADLP c1ccc2cc(C[N@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC000299915608 373616937 /nfs/dbraw/zinc/61/69/37/373616937.db2.gz GOQGGHLGBASSEQ-ROUUACIJSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)ccc2c1 ZINC000299915608 373616943 /nfs/dbraw/zinc/61/69/43/373616943.db2.gz GOQGGHLGBASSEQ-ROUUACIJSA-N 2 2 266.388 3.024 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000449129524 373663501 /nfs/dbraw/zinc/66/35/01/373663501.db2.gz VKXYBBDXVWHNAQ-GDBMZVCRSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000449129524 373663509 /nfs/dbraw/zinc/66/35/09/373663509.db2.gz VKXYBBDXVWHNAQ-GDBMZVCRSA-N 2 2 250.430 3.172 20 0 CGADLP CC/C=C\C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449456634 373739370 /nfs/dbraw/zinc/73/93/70/373739370.db2.gz MQDCBNBAWOHZHQ-XZQPKOJISA-N 2 2 258.409 3.378 20 0 CGADLP CC/C=C\C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449456634 373739381 /nfs/dbraw/zinc/73/93/81/373739381.db2.gz MQDCBNBAWOHZHQ-XZQPKOJISA-N 2 2 258.409 3.378 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000449491094 373781871 /nfs/dbraw/zinc/78/18/71/373781871.db2.gz FGGFKIAUCXSAMW-MSOLQXFVSA-N 2 2 290.451 3.363 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)s1 ZINC000449770735 373898398 /nfs/dbraw/zinc/89/83/98/373898398.db2.gz DVCUVDLZRXYQJG-CYBMUJFWSA-N 2 2 295.496 3.463 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)s1 ZINC000449770735 373898409 /nfs/dbraw/zinc/89/84/09/373898409.db2.gz DVCUVDLZRXYQJG-CYBMUJFWSA-N 2 2 295.496 3.463 20 0 CGADLP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c3c(OC)cccc23)C1 ZINC000302409373 373863874 /nfs/dbraw/zinc/86/38/74/373863874.db2.gz GKHSFEDXMLTZOQ-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP CCC[N@H+]1CC[C@@H](CNc2cc[nH+]c3c(OC)cccc23)C1 ZINC000302409373 373863880 /nfs/dbraw/zinc/86/38/80/373863880.db2.gz GKHSFEDXMLTZOQ-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP COCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000449739054 373866393 /nfs/dbraw/zinc/86/63/93/373866393.db2.gz IDFAWAWLUZXMKB-UHFFFAOYSA-N 2 2 299.418 3.169 20 0 CGADLP c1[nH]c(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c[nH+]1 ZINC000180370764 373995501 /nfs/dbraw/zinc/99/55/01/373995501.db2.gz LRIMAWXESFYMSH-INIZCTEOSA-N 2 2 255.365 3.431 20 0 CGADLP C[NH+](C)CCNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450207574 373996330 /nfs/dbraw/zinc/99/63/30/373996330.db2.gz FVVGAMJHLGZNLI-UHFFFAOYSA-N 2 2 267.735 3.001 20 0 CGADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180178828 373974472 /nfs/dbraw/zinc/97/44/72/373974472.db2.gz FRYVAGDWKVZWCS-CYBMUJFWSA-N 2 2 281.359 3.233 20 0 CGADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180178828 373974476 /nfs/dbraw/zinc/97/44/76/373974476.db2.gz FRYVAGDWKVZWCS-CYBMUJFWSA-N 2 2 281.359 3.233 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000450339813 374067123 /nfs/dbraw/zinc/06/71/23/374067123.db2.gz BZMVMQRVCPHHGV-GJZGRUSLSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000450339813 374067127 /nfs/dbraw/zinc/06/71/27/374067127.db2.gz BZMVMQRVCPHHGV-GJZGRUSLSA-N 2 2 286.410 3.372 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000450436372 374127006 /nfs/dbraw/zinc/12/70/06/374127006.db2.gz QWFJLULVOBPGCX-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)[C@@H]1C ZINC000450436372 374127010 /nfs/dbraw/zinc/12/70/10/374127010.db2.gz QWFJLULVOBPGCX-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000450436372 374127015 /nfs/dbraw/zinc/12/70/15/374127015.db2.gz QWFJLULVOBPGCX-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000450436372 374127018 /nfs/dbraw/zinc/12/70/18/374127018.db2.gz QWFJLULVOBPGCX-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309734341 374194036 /nfs/dbraw/zinc/19/40/36/374194036.db2.gz QDIRNDDPCSGXTP-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309734341 374194045 /nfs/dbraw/zinc/19/40/45/374194045.db2.gz QDIRNDDPCSGXTP-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP CCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309809465 374198938 /nfs/dbraw/zinc/19/89/38/374198938.db2.gz MFAIBOHLBWIXJC-INIZCTEOSA-N 2 2 296.418 3.034 20 0 CGADLP CCc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000309809465 374198946 /nfs/dbraw/zinc/19/89/46/374198946.db2.gz MFAIBOHLBWIXJC-INIZCTEOSA-N 2 2 296.418 3.034 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000309874836 374201723 /nfs/dbraw/zinc/20/17/23/374201723.db2.gz URDJEPKZTKSZRI-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000309874836 374201727 /nfs/dbraw/zinc/20/17/27/374201727.db2.gz URDJEPKZTKSZRI-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](C)Nc1[nH+]ccc2ccccc21 ZINC000311439707 374244025 /nfs/dbraw/zinc/24/40/25/374244025.db2.gz PADROGQZWQGVBZ-CYBMUJFWSA-N 2 2 257.381 3.375 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](C)Nc1[nH+]ccc2ccccc21 ZINC000311439707 374244033 /nfs/dbraw/zinc/24/40/33/374244033.db2.gz PADROGQZWQGVBZ-CYBMUJFWSA-N 2 2 257.381 3.375 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C(C)C ZINC000182561325 374289780 /nfs/dbraw/zinc/28/97/80/374289780.db2.gz JWAYRYCHEJRHNS-OAHLLOKOSA-N 2 2 275.440 3.203 20 0 CGADLP Fc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)cc1 ZINC000182891191 374338964 /nfs/dbraw/zinc/33/89/64/374338964.db2.gz NPBXVLPDEUVZFJ-UHFFFAOYSA-N 2 2 287.382 3.471 20 0 CGADLP C[C@H]([NH2+]C1CCC(CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319578578 374345685 /nfs/dbraw/zinc/34/56/85/374345685.db2.gz JCPYKKGZRKQBPS-UQPPLGOBSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2sccc21 ZINC000453206876 374368734 /nfs/dbraw/zinc/36/87/34/374368734.db2.gz VMOKCEMYTXYORB-MBNYWOFBSA-N 2 2 287.432 3.488 20 0 CGADLP C[C@@H]1C[C@H](Nc2cc3c(c[nH+]2)CCCC3)c2[nH+]ccn21 ZINC000453234987 374370497 /nfs/dbraw/zinc/37/04/97/374370497.db2.gz JBIPCFLVWSKUMZ-RISCZKNCSA-N 2 2 268.364 3.275 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183180187 374381780 /nfs/dbraw/zinc/38/17/80/374381780.db2.gz NPAKXZIVUZXXMG-GOEBONIOSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183180187 374381786 /nfs/dbraw/zinc/38/17/86/374381786.db2.gz NPAKXZIVUZXXMG-GOEBONIOSA-N 2 2 287.382 3.290 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@H+](C)CCCn1cc[nH+]c1)CCC2 ZINC000183189959 374384072 /nfs/dbraw/zinc/38/40/72/374384072.db2.gz VYGSZPVWNZKWNX-CQSZACIVSA-N 2 2 290.436 3.048 20 0 CGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)CCCn1cc[nH+]c1)CCC2 ZINC000183189959 374384080 /nfs/dbraw/zinc/38/40/80/374384080.db2.gz VYGSZPVWNZKWNX-CQSZACIVSA-N 2 2 290.436 3.048 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433703 541936332 /nfs/dbraw/zinc/93/63/32/541936332.db2.gz ZEWIBQHHEIKYDP-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433703 541936336 /nfs/dbraw/zinc/93/63/36/541936336.db2.gz ZEWIBQHHEIKYDP-WCQYABFASA-N 2 2 275.421 3.041 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000185186187 374602909 /nfs/dbraw/zinc/60/29/09/374602909.db2.gz HDKCLUAPDXBKBQ-UHFFFAOYSA-N 2 2 291.345 3.375 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000334389843 374709037 /nfs/dbraw/zinc/70/90/37/374709037.db2.gz SDBBLSTVTDQWOV-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000334389843 374709041 /nfs/dbraw/zinc/70/90/41/374709041.db2.gz SDBBLSTVTDQWOV-ZIAGYGMSSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185700776 374717706 /nfs/dbraw/zinc/71/77/06/374717706.db2.gz KRUVTTIJQYYLGZ-UONOGXRCSA-N 2 2 293.480 3.194 20 0 CGADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185700776 374717711 /nfs/dbraw/zinc/71/77/11/374717711.db2.gz KRUVTTIJQYYLGZ-UONOGXRCSA-N 2 2 293.480 3.194 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354167 296222924 /nfs/dbraw/zinc/22/29/24/296222924.db2.gz BOGLNUMSRWRLNA-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354167 296222927 /nfs/dbraw/zinc/22/29/27/296222927.db2.gz BOGLNUMSRWRLNA-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000334539564 374835919 /nfs/dbraw/zinc/83/59/19/374835919.db2.gz DOAVQXMEPOVWGZ-IRXDYDNUSA-N 2 2 285.366 3.215 20 0 CGADLP Cc1nc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000186417235 374848723 /nfs/dbraw/zinc/84/87/23/374848723.db2.gz LLHKBXVYMKLVFJ-QGZVFWFLSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1nc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000186417235 374848726 /nfs/dbraw/zinc/84/87/26/374848726.db2.gz LLHKBXVYMKLVFJ-QGZVFWFLSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000335026015 375079884 /nfs/dbraw/zinc/07/98/84/375079884.db2.gz YAFSAELJRRVMNB-SJORKVTESA-N 2 2 270.351 3.369 20 0 CGADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000187722147 375081242 /nfs/dbraw/zinc/08/12/42/375081242.db2.gz IJWIZVHCHJNWRN-AWEZNQCLSA-N 2 2 290.455 3.090 20 0 CGADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000187722147 375081246 /nfs/dbraw/zinc/08/12/46/375081246.db2.gz IJWIZVHCHJNWRN-AWEZNQCLSA-N 2 2 290.455 3.090 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2c1C ZINC000473115392 375043925 /nfs/dbraw/zinc/04/39/25/375043925.db2.gz ANGMVSYAPQDMEI-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2c1C ZINC000473115392 375043928 /nfs/dbraw/zinc/04/39/28/375043928.db2.gz ANGMVSYAPQDMEI-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2c1C ZINC000473115392 375043931 /nfs/dbraw/zinc/04/39/31/375043931.db2.gz ANGMVSYAPQDMEI-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc2c1C ZINC000473115392 375043933 /nfs/dbraw/zinc/04/39/33/375043933.db2.gz ANGMVSYAPQDMEI-BEFAXECRSA-N 2 2 297.446 3.311 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)cc1 ZINC000482540160 375171292 /nfs/dbraw/zinc/17/12/92/375171292.db2.gz CODXLZLAOVLCHV-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)cc1 ZINC000482540160 375171297 /nfs/dbraw/zinc/17/12/97/375171297.db2.gz CODXLZLAOVLCHV-HNAYVOBHSA-N 2 2 286.463 3.388 20 0 CGADLP CC[N@H+](C)CC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000474621463 375120957 /nfs/dbraw/zinc/12/09/57/375120957.db2.gz IERDRNDPCJSEQS-QGZVFWFLSA-N 2 2 262.441 3.358 20 0 CGADLP CC[N@@H+](C)CC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000474621463 375120967 /nfs/dbraw/zinc/12/09/67/375120967.db2.gz IERDRNDPCJSEQS-QGZVFWFLSA-N 2 2 262.441 3.358 20 0 CGADLP CC1([NH2+]Cc2c(Cl)oc3ccccc32)CC[NH2+]CC1 ZINC000335176092 375201779 /nfs/dbraw/zinc/20/17/79/375201779.db2.gz ZYYKRGYDSPZSCA-UHFFFAOYSA-N 2 2 278.783 3.318 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338901 296227301 /nfs/dbraw/zinc/22/73/01/296227301.db2.gz MAUIOFJQHINBSZ-BFVZDQMLSA-N 2 2 270.779 3.209 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338901 296227303 /nfs/dbraw/zinc/22/73/03/296227303.db2.gz MAUIOFJQHINBSZ-BFVZDQMLSA-N 2 2 270.779 3.209 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCCC4)CC2)nc1 ZINC000189070574 375318581 /nfs/dbraw/zinc/31/85/81/375318581.db2.gz LZVBBIXEUJRFGF-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H]1c1ccccc1 ZINC000487571385 375257290 /nfs/dbraw/zinc/25/72/90/375257290.db2.gz MEQJAPNLOHOJSK-DSQZMVHQSA-N 2 2 293.414 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H]1c1ccccc1 ZINC000487571385 375257294 /nfs/dbraw/zinc/25/72/94/375257294.db2.gz MEQJAPNLOHOJSK-DSQZMVHQSA-N 2 2 293.414 3.130 20 0 CGADLP C[C@@H](C[NH2+]Cc1ncc(-c2ccccc2)s1)C[NH+](C)C ZINC000491588891 375333607 /nfs/dbraw/zinc/33/36/07/375333607.db2.gz MLDPSNSFJGZQGS-ZDUSSCGKSA-N 2 2 289.448 3.097 20 0 CGADLP CSCc1cccc(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000189486578 375397600 /nfs/dbraw/zinc/39/76/00/375397600.db2.gz CISQMIHRGLANDG-UHFFFAOYSA-N 2 2 297.427 3.487 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C)c1F ZINC000335785184 375428703 /nfs/dbraw/zinc/42/87/03/375428703.db2.gz ZBROMBMMJUAWMA-ZFWWWQNUSA-N 2 2 287.382 3.305 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497386079 375596115 /nfs/dbraw/zinc/59/61/15/375596115.db2.gz MQCPWNNFPQANMZ-IRXDYDNUSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000191114670 375579875 /nfs/dbraw/zinc/57/98/75/375579875.db2.gz IWVDMNXGIMBANN-KGLIPLIRSA-N 2 2 257.381 3.393 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000335997936 375603559 /nfs/dbraw/zinc/60/35/59/375603559.db2.gz ULOMIKLHYMRWLJ-LLVKDONJSA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000335997936 375603562 /nfs/dbraw/zinc/60/35/62/375603562.db2.gz ULOMIKLHYMRWLJ-LLVKDONJSA-N 2 2 281.812 3.125 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C2CC2)n1-c1ccccc1 ZINC000122169475 542022797 /nfs/dbraw/zinc/02/27/97/542022797.db2.gz ZPVCMNAFOHLYHN-CYBMUJFWSA-N 2 2 269.392 3.316 20 0 CGADLP Fc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(F)c1F ZINC000124323936 542032416 /nfs/dbraw/zinc/03/24/16/542032416.db2.gz UDNBXNCEZRBXBM-UHFFFAOYSA-N 2 2 286.341 3.070 20 0 CGADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000507519421 375711619 /nfs/dbraw/zinc/71/16/19/375711619.db2.gz IJKQFCIUJIXFOH-OAHLLOKOSA-N 2 2 289.467 3.415 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2nc(C(C)C)cs2)CC1 ZINC000128522985 542052351 /nfs/dbraw/zinc/05/23/51/542052351.db2.gz OHRPYULSJFBVPV-UHFFFAOYSA-N 2 2 281.469 3.231 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192845914 375793938 /nfs/dbraw/zinc/79/39/38/375793938.db2.gz OCPFWOXWLAQTTO-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP COc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192845914 375793941 /nfs/dbraw/zinc/79/39/41/375793941.db2.gz OCPFWOXWLAQTTO-GOOCMWNKSA-N 2 2 294.826 3.063 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494471 375887038 /nfs/dbraw/zinc/88/70/38/375887038.db2.gz RSSSSUAUFQNZEX-LPHOPBHVSA-N 2 2 295.430 3.102 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000193494471 375887048 /nfs/dbraw/zinc/88/70/48/375887048.db2.gz RSSSSUAUFQNZEX-LPHOPBHVSA-N 2 2 295.430 3.102 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]2C)n1-c1ccccc1 ZINC000336811476 375963039 /nfs/dbraw/zinc/96/30/39/375963039.db2.gz NEPBFAMKVUIHKB-BLLLJJGKSA-N 2 2 255.365 3.069 20 0 CGADLP CC[C@@](C)([NH2+]CCCCn1cc[nH+]c1C)C(F)(F)F ZINC000535051621 376016767 /nfs/dbraw/zinc/01/67/67/376016767.db2.gz QYXHAXYRVJMWDA-GFCCVEGCSA-N 2 2 277.334 3.292 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cscn1 ZINC000535064165 376019947 /nfs/dbraw/zinc/01/99/47/376019947.db2.gz MFXPPPBDZVXUNO-ZDUSSCGKSA-N 2 2 298.415 3.239 20 0 CGADLP c1ccc(NC2CC[NH+]([C@H]3C=CCCC3)CC2)[nH+]c1 ZINC000536369620 376088299 /nfs/dbraw/zinc/08/82/99/376088299.db2.gz RRTKNDCWUFTVBO-HNNXBMFYSA-N 2 2 257.381 3.067 20 0 CGADLP CCCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000195026780 376070635 /nfs/dbraw/zinc/07/06/35/376070635.db2.gz MUAGDZQJDXQRPD-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641664 376176766 /nfs/dbraw/zinc/17/67/66/376176766.db2.gz PBVRXFYFYGLJAM-GJZGRUSLSA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641664 376176775 /nfs/dbraw/zinc/17/67/75/376176775.db2.gz PBVRXFYFYGLJAM-GJZGRUSLSA-N 2 2 264.800 3.056 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221388400 376215684 /nfs/dbraw/zinc/21/56/84/376215684.db2.gz HCCPDTJPUOMUMN-SJLPKXTDSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221388400 376215688 /nfs/dbraw/zinc/21/56/88/376215688.db2.gz HCCPDTJPUOMUMN-SJLPKXTDSA-N 2 2 266.388 3.024 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000337503189 376225545 /nfs/dbraw/zinc/22/55/45/376225545.db2.gz CMCWCSLJPOGMFG-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1OC ZINC000221984099 376225732 /nfs/dbraw/zinc/22/57/32/376225732.db2.gz ZBUNEDOKBVKTSC-CPUCHLNUSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1OC ZINC000221984099 376225737 /nfs/dbraw/zinc/22/57/37/376225737.db2.gz ZBUNEDOKBVKTSC-CPUCHLNUSA-N 2 2 288.435 3.361 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000538749982 376268168 /nfs/dbraw/zinc/26/81/68/376268168.db2.gz RILLDJOZVVJEKT-KRWDZBQOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000538749982 376268175 /nfs/dbraw/zinc/26/81/75/376268175.db2.gz RILLDJOZVVJEKT-KRWDZBQOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000538749982 376268182 /nfs/dbraw/zinc/26/81/82/376268182.db2.gz RILLDJOZVVJEKT-KRWDZBQOSA-N 2 2 290.426 3.298 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000538749982 376268188 /nfs/dbraw/zinc/26/81/88/376268188.db2.gz RILLDJOZVVJEKT-KRWDZBQOSA-N 2 2 290.426 3.298 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000538759466 376270032 /nfs/dbraw/zinc/27/00/32/376270032.db2.gz BIBAWQOKVWNLPF-IUODEOHRSA-N 2 2 281.359 3.341 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000225620439 376318668 /nfs/dbraw/zinc/31/86/68/376318668.db2.gz PBTOCXCZRGFGKX-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000225620439 376318674 /nfs/dbraw/zinc/31/86/74/376318674.db2.gz PBTOCXCZRGFGKX-MSOLQXFVSA-N 2 2 288.435 3.192 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC000539217398 376299003 /nfs/dbraw/zinc/29/90/03/376299003.db2.gz JZXKUHMJQZZBGL-QAPCUYQASA-N 2 2 290.451 3.324 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC000539217398 376299007 /nfs/dbraw/zinc/29/90/07/376299007.db2.gz JZXKUHMJQZZBGL-QAPCUYQASA-N 2 2 290.451 3.324 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000227676517 376405000 /nfs/dbraw/zinc/40/50/00/376405000.db2.gz VXZUJDGTVVFACK-OCCSQVGLSA-N 2 2 255.365 3.164 20 0 CGADLP Cc1cc[nH+]c(NC[C@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000227667870 376405518 /nfs/dbraw/zinc/40/55/18/376405518.db2.gz ZGIOKCLGLHRWLN-QWRGUYRKSA-N 2 2 298.228 3.082 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000540316424 376369287 /nfs/dbraw/zinc/36/92/87/376369287.db2.gz VALMOVAKWHDLHU-NXOUGTEYSA-N 2 2 288.410 3.349 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000540316424 376369295 /nfs/dbraw/zinc/36/92/95/376369295.db2.gz VALMOVAKWHDLHU-NXOUGTEYSA-N 2 2 288.410 3.349 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000540370606 376370921 /nfs/dbraw/zinc/37/09/21/376370921.db2.gz VGXFNWUKBUOCQD-ZFWWWQNUSA-N 2 2 294.414 3.359 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000540370606 376370926 /nfs/dbraw/zinc/37/09/26/376370926.db2.gz VGXFNWUKBUOCQD-ZFWWWQNUSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338687570 376480005 /nfs/dbraw/zinc/48/00/05/376480005.db2.gz MNCXUQIDXAIAJZ-TXCZRRACSA-N 2 2 269.392 3.053 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000230693940 376535048 /nfs/dbraw/zinc/53/50/48/376535048.db2.gz RAUXTOQQPCKPAS-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000542475058 376547247 /nfs/dbraw/zinc/54/72/47/376547247.db2.gz SLUQRTPYSWEEFJ-DOTOQJQBSA-N 2 2 282.472 3.046 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCCCCC1 ZINC000542475058 376547252 /nfs/dbraw/zinc/54/72/52/376547252.db2.gz SLUQRTPYSWEEFJ-DOTOQJQBSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)cc2F)CC[N@@H+]1C ZINC000542702442 376569110 /nfs/dbraw/zinc/56/91/10/376569110.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(F)cc2F)CC[N@H+]1C ZINC000542702442 376569119 /nfs/dbraw/zinc/56/91/19/376569119.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(F)cc2F)CC[NH+]1C ZINC000542702442 376569128 /nfs/dbraw/zinc/56/91/28/376569128.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 2 294.389 3.393 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(F)cc2F)CC[NH+]1C ZINC000542702442 376569138 /nfs/dbraw/zinc/56/91/38/376569138.db2.gz GUNDTPGGOBRQFG-LVQRLBQTSA-N 2 2 294.389 3.393 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000339053821 376650847 /nfs/dbraw/zinc/65/08/47/376650847.db2.gz LKDVGJHMKJRSAY-UHFFFAOYSA-N 2 2 265.360 3.204 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135339858 542088348 /nfs/dbraw/zinc/08/83/48/542088348.db2.gz RVLMLHCFKJKQLH-WFASDCNBSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135339858 542088353 /nfs/dbraw/zinc/08/83/53/542088353.db2.gz RVLMLHCFKJKQLH-WFASDCNBSA-N 2 2 296.817 3.443 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000157814304 542140473 /nfs/dbraw/zinc/14/04/73/542140473.db2.gz PMYPNPSHYIXSGR-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000157814304 542140476 /nfs/dbraw/zinc/14/04/76/542140476.db2.gz PMYPNPSHYIXSGR-WMLDXEAASA-N 2 2 258.409 3.130 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000558126507 376976588 /nfs/dbraw/zinc/97/65/88/376976588.db2.gz GTHXSRVCCRXQDJ-HLIPFELVSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1CCc2ccccc2C1 ZINC000558126507 376976595 /nfs/dbraw/zinc/97/65/95/376976595.db2.gz GTHXSRVCCRXQDJ-HLIPFELVSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000557278387 376928430 /nfs/dbraw/zinc/92/84/30/376928430.db2.gz XLLPMXJWIYYLAG-NXJYUQPGSA-N 2 2 286.463 3.499 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000557278387 376928441 /nfs/dbraw/zinc/92/84/41/376928441.db2.gz XLLPMXJWIYYLAG-NXJYUQPGSA-N 2 2 286.463 3.499 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C2CC2)c1 ZINC000340181236 376938355 /nfs/dbraw/zinc/93/83/55/376938355.db2.gz NGYFVPKXIAVFFL-AWEZNQCLSA-N 2 2 258.409 3.310 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340224652 376953807 /nfs/dbraw/zinc/95/38/07/376953807.db2.gz DXWFVNSAVODJSM-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340224652 376953814 /nfs/dbraw/zinc/95/38/14/376953814.db2.gz DXWFVNSAVODJSM-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c1 ZINC000557796510 376956912 /nfs/dbraw/zinc/95/69/12/376956912.db2.gz PZPIYCUISCJTRQ-CZUORRHYSA-N 2 2 272.392 3.171 20 0 CGADLP Cc1ccc2oc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1 ZINC000557796510 376956916 /nfs/dbraw/zinc/95/69/16/376956916.db2.gz PZPIYCUISCJTRQ-CZUORRHYSA-N 2 2 272.392 3.171 20 0 CGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCC23CCCC3)CCSC1 ZINC000340252778 376966925 /nfs/dbraw/zinc/96/69/25/376966925.db2.gz BZLLWIAHLQUXSK-HOCLYGCPSA-N 2 2 282.497 3.126 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246110120 376969219 /nfs/dbraw/zinc/96/92/19/376969219.db2.gz JSXKGHRHBZVRHB-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246110120 376969224 /nfs/dbraw/zinc/96/92/24/376969224.db2.gz JSXKGHRHBZVRHB-YOEHRIQHSA-N 2 2 287.382 3.414 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000246293158 377006716 /nfs/dbraw/zinc/00/67/16/377006716.db2.gz CPCFCWNCTRHCCT-YQQAZPJKSA-N 2 2 289.467 3.132 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000246293158 377006724 /nfs/dbraw/zinc/00/67/24/377006724.db2.gz CPCFCWNCTRHCCT-YQQAZPJKSA-N 2 2 289.467 3.132 20 0 CGADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000340432259 377053561 /nfs/dbraw/zinc/05/35/61/377053561.db2.gz FEGMJCRSNIPBPQ-UHFFFAOYSA-N 2 2 268.788 3.040 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000558919868 377054383 /nfs/dbraw/zinc/05/43/83/377054383.db2.gz XSMGZBOEMHQTSC-QZTJIDSGSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000558919868 377054389 /nfs/dbraw/zinc/05/43/89/377054389.db2.gz XSMGZBOEMHQTSC-QZTJIDSGSA-N 2 2 296.499 3.148 20 0 CGADLP C[C@@H](F)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340468127 377078911 /nfs/dbraw/zinc/07/89/11/377078911.db2.gz JMUAIKZNCBUIFG-CHWSQXEVSA-N 2 2 261.344 3.271 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475250 377088783 /nfs/dbraw/zinc/08/87/83/377088783.db2.gz MHZZAOUBKYNQIK-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475250 377088788 /nfs/dbraw/zinc/08/87/88/377088788.db2.gz MHZZAOUBKYNQIK-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000560257579 377135228 /nfs/dbraw/zinc/13/52/28/377135228.db2.gz AYGPLZNTXAEJJD-NVXWUHKLSA-N 2 2 290.451 3.466 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247033275 377144586 /nfs/dbraw/zinc/14/45/86/377144586.db2.gz DNNSBZOSINGDGH-DZGCQCFKSA-N 2 2 255.365 3.099 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247033275 377144588 /nfs/dbraw/zinc/14/45/88/377144588.db2.gz DNNSBZOSINGDGH-DZGCQCFKSA-N 2 2 255.365 3.099 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC ZINC000340675513 377209697 /nfs/dbraw/zinc/20/96/97/377209697.db2.gz QRJXNEAXYYMGJH-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC ZINC000340675513 377209707 /nfs/dbraw/zinc/20/97/07/377209707.db2.gz QRJXNEAXYYMGJH-UHFFFAOYSA-N 2 2 276.424 3.003 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000562303407 377292521 /nfs/dbraw/zinc/29/25/21/377292521.db2.gz HNFBAQSUBQGHBL-MRLCAUJQSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562667324 377344517 /nfs/dbraw/zinc/34/45/17/377344517.db2.gz YIEXEFSKDVLTOR-JSGCOSHPSA-N 2 2 295.386 3.234 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000562667324 377344524 /nfs/dbraw/zinc/34/45/24/377344524.db2.gz YIEXEFSKDVLTOR-JSGCOSHPSA-N 2 2 295.386 3.234 20 0 CGADLP CC[NH+](CC)Cc1cccc(NCc2[nH+]cc(C)n2C)c1 ZINC000341115799 377403295 /nfs/dbraw/zinc/40/32/95/377403295.db2.gz BANDHHNKFDKHAK-UHFFFAOYSA-N 2 2 286.423 3.182 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2csc(CC)n2)CC1 ZINC000162267748 542163362 /nfs/dbraw/zinc/16/33/62/542163362.db2.gz XREUECYMDSDUQD-GFCCVEGCSA-N 2 2 281.469 3.231 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563426520 377463827 /nfs/dbraw/zinc/46/38/27/377463827.db2.gz MLSITBCRNUUOTB-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563426520 377463834 /nfs/dbraw/zinc/46/38/34/377463834.db2.gz MLSITBCRNUUOTB-YOEHRIQHSA-N 2 2 296.418 3.168 20 0 CGADLP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341270385 377480359 /nfs/dbraw/zinc/48/03/59/377480359.db2.gz LQMXVVAVSVISQA-QAPCUYQASA-N 2 2 299.418 3.085 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)CC ZINC000313123553 249087279 /nfs/dbraw/zinc/08/72/79/249087279.db2.gz WKTQBFXENJTHBN-XYPHTWIQSA-N 2 2 287.407 3.072 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2c(c1)CCCC2 ZINC000313265265 249089633 /nfs/dbraw/zinc/08/96/33/249089633.db2.gz HBRCZFLNRCTWLQ-CQSZACIVSA-N 2 2 283.419 3.192 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1csc(Cl)c1 ZINC000313256327 249089721 /nfs/dbraw/zinc/08/97/21/249089721.db2.gz UCHPEZRCLMQGIY-SECBINFHSA-N 2 2 269.801 3.028 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422904858 249127640 /nfs/dbraw/zinc/12/76/40/249127640.db2.gz YFLBJPBUXRWWKS-CABCVRRESA-N 2 2 264.388 3.255 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422908989 249127678 /nfs/dbraw/zinc/12/76/78/249127678.db2.gz DZXMFMJQOVWRCX-VZAMPYOESA-N 2 2 296.842 3.146 20 0 CGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902822 249094706 /nfs/dbraw/zinc/09/47/06/249094706.db2.gz PRVPUMBDYYJGGB-CWRNSKLLSA-N 2 2 294.389 3.239 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000313902822 249094710 /nfs/dbraw/zinc/09/47/10/249094710.db2.gz PRVPUMBDYYJGGB-CWRNSKLLSA-N 2 2 294.389 3.239 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449010 377568920 /nfs/dbraw/zinc/56/89/20/377568920.db2.gz ANQYCKVZUGSUFY-IDMDMSBLSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000341449010 377568929 /nfs/dbraw/zinc/56/89/29/377568929.db2.gz ANQYCKVZUGSUFY-IDMDMSBLSA-N 2 2 272.436 3.171 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000251334372 377580812 /nfs/dbraw/zinc/58/08/12/377580812.db2.gz OZMKKYGKSPPTPC-ABAIWWIYSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000251334372 377580819 /nfs/dbraw/zinc/58/08/19/377580819.db2.gz OZMKKYGKSPPTPC-ABAIWWIYSA-N 2 2 270.367 3.331 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000515586689 249216313 /nfs/dbraw/zinc/21/63/13/249216313.db2.gz ODYWECHYTQJTCW-RDJZCZTQSA-N 2 2 281.403 3.287 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000515586689 249216315 /nfs/dbraw/zinc/21/63/15/249216315.db2.gz ODYWECHYTQJTCW-RDJZCZTQSA-N 2 2 281.403 3.287 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1cccc(Br)c1 ZINC000517263166 249261772 /nfs/dbraw/zinc/26/17/72/249261772.db2.gz YSWLHBSNVCOKDZ-RYUDHWBXSA-N 2 2 299.256 3.092 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880669 377588417 /nfs/dbraw/zinc/58/84/17/377588417.db2.gz ICOWOSFSLOZDHV-GVDBMIGSSA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880669 377588424 /nfs/dbraw/zinc/58/84/24/377588424.db2.gz ICOWOSFSLOZDHV-GVDBMIGSSA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880669 377588433 /nfs/dbraw/zinc/58/84/33/377588433.db2.gz ICOWOSFSLOZDHV-GVDBMIGSSA-N 2 2 276.399 3.445 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573880669 377588439 /nfs/dbraw/zinc/58/84/39/377588439.db2.gz ICOWOSFSLOZDHV-GVDBMIGSSA-N 2 2 276.399 3.445 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cscn1 ZINC000252789289 377664127 /nfs/dbraw/zinc/66/41/27/377664127.db2.gz YTSMVOYTTRNBOF-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cscn1 ZINC000252789289 377664132 /nfs/dbraw/zinc/66/41/32/377664132.db2.gz YTSMVOYTTRNBOF-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355310 377685082 /nfs/dbraw/zinc/68/50/82/377685082.db2.gz UVSNNFRNLQBBSY-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355310 377685085 /nfs/dbraw/zinc/68/50/85/377685085.db2.gz UVSNNFRNLQBBSY-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355310 377685096 /nfs/dbraw/zinc/68/50/96/377685096.db2.gz UVSNNFRNLQBBSY-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)CC[C@H]21 ZINC000253355310 377685108 /nfs/dbraw/zinc/68/51/08/377685108.db2.gz UVSNNFRNLQBBSY-SMDDNHRTSA-N 2 2 284.856 3.318 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000342718533 377753953 /nfs/dbraw/zinc/75/39/53/377753953.db2.gz GLJGAUMGHMGPBH-VYDXJSESSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000342718533 377753959 /nfs/dbraw/zinc/75/39/59/377753959.db2.gz GLJGAUMGHMGPBH-VYDXJSESSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261559304 377819197 /nfs/dbraw/zinc/81/91/97/377819197.db2.gz TVNCDYRRAWQDCM-FZMZJTMJSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261559304 377819200 /nfs/dbraw/zinc/81/92/00/377819200.db2.gz TVNCDYRRAWQDCM-FZMZJTMJSA-N 2 2 297.240 3.181 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000261577117 377820496 /nfs/dbraw/zinc/82/04/96/377820496.db2.gz OCMKXKQDQAUEGW-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000261577117 377820501 /nfs/dbraw/zinc/82/05/01/377820501.db2.gz OCMKXKQDQAUEGW-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261574008 377820620 /nfs/dbraw/zinc/82/06/20/377820620.db2.gz AYEMTBAMNZBXOE-IFUGULHKSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261574008 377820625 /nfs/dbraw/zinc/82/06/25/377820625.db2.gz AYEMTBAMNZBXOE-IFUGULHKSA-N 2 2 282.790 3.224 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261577757 377820912 /nfs/dbraw/zinc/82/09/12/377820912.db2.gz OOSGFDBYVQKUOU-IMSIIYSGSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261577757 377820914 /nfs/dbraw/zinc/82/09/14/377820914.db2.gz OOSGFDBYVQKUOU-IMSIIYSGSA-N 2 2 285.218 3.163 20 0 CGADLP CCC1(CC)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342930565 377862325 /nfs/dbraw/zinc/86/23/25/377862325.db2.gz HYGOGBGVDZZEKF-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP CCC1(CC)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342930565 377862331 /nfs/dbraw/zinc/86/23/31/377862331.db2.gz HYGOGBGVDZZEKF-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@H]12 ZINC000262010916 377878417 /nfs/dbraw/zinc/87/84/17/377878417.db2.gz VAFJHMAMHKJEQC-FKTZTGRPSA-N 2 2 291.247 3.224 20 0 CGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@H]12 ZINC000262010916 377878418 /nfs/dbraw/zinc/87/84/18/377878418.db2.gz VAFJHMAMHKJEQC-FKTZTGRPSA-N 2 2 291.247 3.224 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000343074454 377894791 /nfs/dbraw/zinc/89/47/91/377894791.db2.gz WTHKOPQACAXEHZ-JZXOWHBKSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CCCO[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000343074454 377894795 /nfs/dbraw/zinc/89/47/95/377894795.db2.gz WTHKOPQACAXEHZ-JZXOWHBKSA-N 2 2 290.451 3.084 20 0 CGADLP [NH3+][C@H]1C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)c2ccccc21 ZINC000262388415 377896595 /nfs/dbraw/zinc/89/65/95/377896595.db2.gz ZLXVUJCQXFJIQW-IRXDYDNUSA-N 2 2 294.402 3.239 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785982 377853279 /nfs/dbraw/zinc/85/32/79/377853279.db2.gz FVRORRHSBAKAOR-ZJUUUORDSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000261785982 377853286 /nfs/dbraw/zinc/85/32/86/377853286.db2.gz FVRORRHSBAKAOR-ZJUUUORDSA-N 2 2 292.370 3.326 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000343461231 377986473 /nfs/dbraw/zinc/98/64/73/377986473.db2.gz WFJJHUPNKFDMAP-SJORKVTESA-N 2 2 289.467 3.346 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000343461231 377986482 /nfs/dbraw/zinc/98/64/82/377986482.db2.gz WFJJHUPNKFDMAP-SJORKVTESA-N 2 2 289.467 3.346 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000343468519 377988550 /nfs/dbraw/zinc/98/85/50/377988550.db2.gz UTWAWZHBXNKNRM-QAVIERHMSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000343468519 377988552 /nfs/dbraw/zinc/98/85/52/377988552.db2.gz UTWAWZHBXNKNRM-QAVIERHMSA-N 2 2 284.447 3.313 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCSc3ccccc32)n1C ZINC000578453768 378071402 /nfs/dbraw/zinc/07/14/02/378071402.db2.gz FVWMYKGRFUTGMS-AWEZNQCLSA-N 2 2 273.405 3.055 20 0 CGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000343733153 378078136 /nfs/dbraw/zinc/07/81/36/378078136.db2.gz BAKMUZYJZIRAKC-UHFFFAOYSA-N 2 2 293.480 3.373 20 0 CGADLP COCc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)o1 ZINC000268790738 378112752 /nfs/dbraw/zinc/11/27/52/378112752.db2.gz LZFXVVKBSBNWSU-UHFFFAOYSA-N 2 2 299.374 3.025 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1C ZINC000268783208 378109655 /nfs/dbraw/zinc/10/96/55/378109655.db2.gz AFIDZPQZXRJXEX-UKRRQHHQSA-N 2 2 257.381 3.239 20 0 CGADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1c[nH+]ccc1N ZINC000579822668 378198418 /nfs/dbraw/zinc/19/84/18/378198418.db2.gz GEESFWYEIBGWCG-NTZNESFSSA-N 2 2 271.364 3.061 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2C)C2CC2)n1C ZINC000579376875 378155586 /nfs/dbraw/zinc/15/55/86/378155586.db2.gz DMHHDOWXNMLDEZ-KRWDZBQOSA-N 2 2 269.392 3.278 20 0 CGADLP CC1=CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000270391697 378344745 /nfs/dbraw/zinc/34/47/45/378344745.db2.gz YGJVFMUUBMFKPZ-UHFFFAOYSA-N 2 2 253.349 3.024 20 0 CGADLP CC1=CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000270391697 378344749 /nfs/dbraw/zinc/34/47/49/378344749.db2.gz YGJVFMUUBMFKPZ-UHFFFAOYSA-N 2 2 253.349 3.024 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000270908915 378412627 /nfs/dbraw/zinc/41/26/27/378412627.db2.gz SNHZINJOJVFMKL-PBHICJAKSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000270908915 378412628 /nfs/dbraw/zinc/41/26/28/378412628.db2.gz SNHZINJOJVFMKL-PBHICJAKSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000270652177 378383194 /nfs/dbraw/zinc/38/31/94/378383194.db2.gz MCJMVVYFWYMTBO-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000270652177 378383199 /nfs/dbraw/zinc/38/31/99/378383199.db2.gz MCJMVVYFWYMTBO-INIZCTEOSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930078 378520593 /nfs/dbraw/zinc/52/05/93/378520593.db2.gz MIABNWASKLTNPD-ZFWWWQNUSA-N 2 2 273.380 3.122 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000271930078 378520601 /nfs/dbraw/zinc/52/06/01/378520601.db2.gz MIABNWASKLTNPD-ZFWWWQNUSA-N 2 2 273.380 3.122 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000346345669 378553534 /nfs/dbraw/zinc/55/35/34/378553534.db2.gz WZGSBCCRGSUNOS-IDMDMSBLSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000346345669 378553539 /nfs/dbraw/zinc/55/35/39/378553539.db2.gz WZGSBCCRGSUNOS-IDMDMSBLSA-N 2 2 272.436 3.313 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000266139667 190233937 /nfs/dbraw/zinc/23/39/37/190233937.db2.gz UBGPDRSTYWTYSW-AWEZNQCLSA-N 2 2 299.418 3.477 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272279073 378602328 /nfs/dbraw/zinc/60/23/28/378602328.db2.gz MMZUVFYDOFMPHB-LSDHHAIUSA-N 2 2 287.407 3.074 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346652244 378663411 /nfs/dbraw/zinc/66/34/11/378663411.db2.gz QFHKNSFPJMYGTQ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346652244 378663416 /nfs/dbraw/zinc/66/34/16/378663416.db2.gz QFHKNSFPJMYGTQ-KRWDZBQOSA-N 2 2 266.388 3.195 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664476 378668093 /nfs/dbraw/zinc/66/80/93/378668093.db2.gz ZEUSKLFUFWPOIM-INMHGKMJSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000346664476 378668097 /nfs/dbraw/zinc/66/80/97/378668097.db2.gz ZEUSKLFUFWPOIM-INMHGKMJSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1(C)C ZINC000346696067 378678902 /nfs/dbraw/zinc/67/89/02/378678902.db2.gz KZKBOYBAKQJMJT-TXCZRRACSA-N 2 2 294.483 3.041 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1(C)C ZINC000346696067 378678910 /nfs/dbraw/zinc/67/89/10/378678910.db2.gz KZKBOYBAKQJMJT-TXCZRRACSA-N 2 2 294.483 3.041 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000348014022 378753492 /nfs/dbraw/zinc/75/34/92/378753492.db2.gz WALSEQSEEMKJML-QGZVFWFLSA-N 2 2 282.472 3.047 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000348014022 378753493 /nfs/dbraw/zinc/75/34/93/378753493.db2.gz WALSEQSEEMKJML-QGZVFWFLSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000638116938 378704490 /nfs/dbraw/zinc/70/44/90/378704490.db2.gz MVMJLWWHZGORIY-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)c1 ZINC000638116938 378704494 /nfs/dbraw/zinc/70/44/94/378704494.db2.gz MVMJLWWHZGORIY-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(F)c1 ZINC000638116938 378704498 /nfs/dbraw/zinc/70/44/98/378704498.db2.gz MVMJLWWHZGORIY-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(F)c1 ZINC000638116938 378704501 /nfs/dbraw/zinc/70/45/01/378704501.db2.gz MVMJLWWHZGORIY-DZGCQCFKSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638298475 378761200 /nfs/dbraw/zinc/76/12/00/378761200.db2.gz RPYNYQKEQCAWJH-JSGCOSHPSA-N 2 2 289.448 3.218 20 0 CGADLP CC[C@](C)(C[NH2+]CCCn1c(C)[nH+]c2ccccc21)OC ZINC000638299351 378761974 /nfs/dbraw/zinc/76/19/74/378761974.db2.gz YADFCMSQWCGDTD-QGZVFWFLSA-N 2 2 289.423 3.140 20 0 CGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(C)o1 ZINC000638312689 378766199 /nfs/dbraw/zinc/76/61/99/378766199.db2.gz JCSNZFDNPADCPB-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348064451 378774149 /nfs/dbraw/zinc/77/41/49/378774149.db2.gz AFHRYYAOLIHWOI-KGLIPLIRSA-N 2 2 261.413 3.298 20 0 CGADLP CC(C)O[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000638359839 378777521 /nfs/dbraw/zinc/77/75/21/378777521.db2.gz SQRVVUOGIWVRIP-RDJZCZTQSA-N 2 2 287.407 3.028 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000348100958 378792089 /nfs/dbraw/zinc/79/20/89/378792089.db2.gz GYLDCQHDYLXEKG-GDBMZVCRSA-N 2 2 255.365 3.151 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000346835628 218030339 /nfs/dbraw/zinc/03/03/39/218030339.db2.gz UQFOYCKNXNIHRH-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000346835628 218030341 /nfs/dbraw/zinc/03/03/41/218030341.db2.gz UQFOYCKNXNIHRH-CYBMUJFWSA-N 2 2 252.789 3.214 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000638620050 378853058 /nfs/dbraw/zinc/85/30/58/378853058.db2.gz XWHVFFAEZMDNKO-IPYPFGDCSA-N 2 2 282.378 3.140 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000638620050 378853061 /nfs/dbraw/zinc/85/30/61/378853061.db2.gz XWHVFFAEZMDNKO-IPYPFGDCSA-N 2 2 282.378 3.140 20 0 CGADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000274814773 378899657 /nfs/dbraw/zinc/89/96/57/378899657.db2.gz WIEFAVYTFREGCO-MRXNPFEDSA-N 2 2 297.402 3.171 20 0 CGADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000274814773 378899664 /nfs/dbraw/zinc/89/96/64/378899664.db2.gz WIEFAVYTFREGCO-MRXNPFEDSA-N 2 2 297.402 3.171 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]CC1CCSCC1)c1ccccc1 ZINC000638847016 378934667 /nfs/dbraw/zinc/93/46/67/378934667.db2.gz HPRXOVIRQBBRMI-INIZCTEOSA-N 2 2 278.465 3.022 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348395836 378939372 /nfs/dbraw/zinc/93/93/72/378939372.db2.gz KAKZVHZDCPBZNQ-QEJZJMRPSA-N 2 2 273.355 3.414 20 0 CGADLP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348329776 378913074 /nfs/dbraw/zinc/91/30/74/378913074.db2.gz RJFIWOZLMMJXNJ-IXDOHACOSA-N 2 2 276.399 3.131 20 0 CGADLP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348329776 378913078 /nfs/dbraw/zinc/91/30/78/378913078.db2.gz RJFIWOZLMMJXNJ-IXDOHACOSA-N 2 2 276.399 3.131 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000348434948 378953872 /nfs/dbraw/zinc/95/38/72/378953872.db2.gz WMUGTSQRPGMQCL-ZFWWWQNUSA-N 2 2 266.816 3.127 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000347118315 218128236 /nfs/dbraw/zinc/12/82/36/218128236.db2.gz CROWLQIHQDYOBF-XIRDDKMYSA-N 2 2 260.425 3.458 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000347118315 218128238 /nfs/dbraw/zinc/12/82/38/218128238.db2.gz CROWLQIHQDYOBF-XIRDDKMYSA-N 2 2 260.425 3.458 20 0 CGADLP CCC[N@H+](CCCc1ccc(C)[nH+]c1)CCN1CCCC1 ZINC000348556095 378993237 /nfs/dbraw/zinc/99/32/37/378993237.db2.gz OVVWOGAYDQYLRM-UHFFFAOYSA-N 2 2 289.467 3.130 20 0 CGADLP CCC[N@@H+](CCCc1ccc(C)[nH+]c1)CCN1CCCC1 ZINC000348556095 378993242 /nfs/dbraw/zinc/99/32/42/378993242.db2.gz OVVWOGAYDQYLRM-UHFFFAOYSA-N 2 2 289.467 3.130 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000347180511 218146993 /nfs/dbraw/zinc/14/69/93/218146993.db2.gz USIMCHWWUGBIMK-GOEBONIOSA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000347180511 218146995 /nfs/dbraw/zinc/14/69/95/218146995.db2.gz USIMCHWWUGBIMK-GOEBONIOSA-N 2 2 276.424 3.176 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC(=C3CCC3)CC1)CC2 ZINC000639071861 379002802 /nfs/dbraw/zinc/00/28/02/379002802.db2.gz PMRBODUOWBJSEQ-MRXNPFEDSA-N 2 2 271.408 3.211 20 0 CGADLP C[NH+](CCC[N@@H+](C)C/C=C\c1ccncc1)Cc1ccco1 ZINC000348803787 379059159 /nfs/dbraw/zinc/05/91/59/379059159.db2.gz CZWVQJISUFFQPP-UTCJRWHESA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](CCC[N@H+](C)C/C=C\c1ccncc1)Cc1ccco1 ZINC000348803787 379059164 /nfs/dbraw/zinc/05/91/64/379059164.db2.gz CZWVQJISUFFQPP-UTCJRWHESA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](C/C=C\c1ccncc1)CCC[N@H+](C)Cc1ccco1 ZINC000348803787 379059168 /nfs/dbraw/zinc/05/91/68/379059168.db2.gz CZWVQJISUFFQPP-UTCJRWHESA-N 2 2 299.418 3.142 20 0 CGADLP C[NH+](C/C=C\c1ccncc1)CCC[N@@H+](C)Cc1ccco1 ZINC000348803787 379059174 /nfs/dbraw/zinc/05/91/74/379059174.db2.gz CZWVQJISUFFQPP-UTCJRWHESA-N 2 2 299.418 3.142 20 0 CGADLP Cc1ccnc([C@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000348846353 379083167 /nfs/dbraw/zinc/08/31/67/379083167.db2.gz DBIVQVZSLVMWJI-AWEZNQCLSA-N 2 2 293.374 3.203 20 0 CGADLP CCOC1CC2(C1)CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000348870814 379093609 /nfs/dbraw/zinc/09/36/09/379093609.db2.gz UPXTYVIKBGXWHY-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP CCOC1CC2(C1)CC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000348870814 379093615 /nfs/dbraw/zinc/09/36/15/379093615.db2.gz UPXTYVIKBGXWHY-UHFFFAOYSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277347598 379137275 /nfs/dbraw/zinc/13/72/75/379137275.db2.gz WLWSWFRPZFLRIF-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277347598 379137284 /nfs/dbraw/zinc/13/72/84/379137284.db2.gz WLWSWFRPZFLRIF-JSGCOSHPSA-N 2 2 282.378 3.442 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC2(F)CCC2)c[nH+]1 ZINC000568564525 322213954 /nfs/dbraw/zinc/21/39/54/322213954.db2.gz AIWFTKRLWGNDHT-UHFFFAOYSA-N 2 2 250.361 3.195 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000373114764 379222493 /nfs/dbraw/zinc/22/24/93/379222493.db2.gz DAPBHWQDHIBHBS-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000373114764 379222501 /nfs/dbraw/zinc/22/25/01/379222501.db2.gz DAPBHWQDHIBHBS-CYBMUJFWSA-N 2 2 291.345 3.078 20 0 CGADLP CC[C@@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373478435 379285064 /nfs/dbraw/zinc/28/50/64/379285064.db2.gz GFOSQALQZZLMCG-LMWSTFAQSA-N 2 2 292.389 3.427 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1F ZINC000373230181 379247727 /nfs/dbraw/zinc/24/77/27/379247727.db2.gz PVCXNABMWIVQAX-HNNXBMFYSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1F ZINC000373230181 379247734 /nfs/dbraw/zinc/24/77/34/379247734.db2.gz PVCXNABMWIVQAX-HNNXBMFYSA-N 2 2 287.382 3.247 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373520972 379291716 /nfs/dbraw/zinc/29/17/16/379291716.db2.gz NEPFMFYDZIUCPN-QFWMXSHPSA-N 2 2 278.362 3.180 20 0 CGADLP CSC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000349365599 379252308 /nfs/dbraw/zinc/25/23/08/379252308.db2.gz IFTBCLPYBZTUMV-UHFFFAOYSA-N 2 2 293.480 3.271 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C)CC2)CC1 ZINC000344526758 284772446 /nfs/dbraw/zinc/77/24/46/284772446.db2.gz OQCGHMZXAYGVNC-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)cc1F)CCCn1cc[nH+]c1 ZINC000349420036 379276338 /nfs/dbraw/zinc/27/63/38/379276338.db2.gz QANYKMNMUPLGGG-RQOWECAXSA-N 2 2 291.345 3.197 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)cc1F)CCCn1cc[nH+]c1 ZINC000349420036 379276348 /nfs/dbraw/zinc/27/63/48/379276348.db2.gz QANYKMNMUPLGGG-RQOWECAXSA-N 2 2 291.345 3.197 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000349611030 379318666 /nfs/dbraw/zinc/31/86/66/379318666.db2.gz MIHLGYMUBLKKKX-HNNXBMFYSA-N 2 2 278.465 3.373 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1 ZINC000349611030 379318673 /nfs/dbraw/zinc/31/86/73/379318673.db2.gz MIHLGYMUBLKKKX-HNNXBMFYSA-N 2 2 278.465 3.373 20 0 CGADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000639374084 379329479 /nfs/dbraw/zinc/32/94/79/379329479.db2.gz AGJNHTPSQLPTKH-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000639376579 379334768 /nfs/dbraw/zinc/33/47/68/379334768.db2.gz PTYHBCOFMJHRJR-UHFFFAOYSA-N 2 2 287.451 3.230 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2scnc2C)CC1 ZINC000639376362 379335637 /nfs/dbraw/zinc/33/56/37/379335637.db2.gz FGYLZYPPPUGMMV-UHFFFAOYSA-N 2 2 293.480 3.292 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](C)[NH+](C)C ZINC000349814328 379396794 /nfs/dbraw/zinc/39/67/94/379396794.db2.gz TWBKFFFHLDZQOE-GDBMZVCRSA-N 2 2 260.425 3.221 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)sc2C)CC1 ZINC000349999304 379473508 /nfs/dbraw/zinc/47/35/08/379473508.db2.gz BFTABTBJRWVWOV-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)sc2C)CC1 ZINC000349999304 379473520 /nfs/dbraw/zinc/47/35/20/379473520.db2.gz BFTABTBJRWVWOV-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CCc1cccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266805064 190281847 /nfs/dbraw/zinc/28/18/47/190281847.db2.gz ZTVMMIBOIXHGNZ-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C)o1 ZINC000377081408 379630588 /nfs/dbraw/zinc/63/05/88/379630588.db2.gz IOONMSAJNIWWET-CYBMUJFWSA-N 2 2 296.374 3.328 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000377803784 379744574 /nfs/dbraw/zinc/74/45/74/379744574.db2.gz ZUQVLCRETUSGJA-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)c1 ZINC000377803784 379744577 /nfs/dbraw/zinc/74/45/77/379744577.db2.gz ZUQVLCRETUSGJA-SJLPKXTDSA-N 2 2 295.430 3.186 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000377826503 379746022 /nfs/dbraw/zinc/74/60/22/379746022.db2.gz NEXVATHNEWISJP-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000377826503 379746025 /nfs/dbraw/zinc/74/60/25/379746025.db2.gz NEXVATHNEWISJP-AWEZNQCLSA-N 2 2 287.432 3.132 20 0 CGADLP CO[C@@]1(C)CCC[N@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000377634671 379711363 /nfs/dbraw/zinc/71/13/63/379711363.db2.gz YHSDKMVDZSXEPW-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CO[C@@]1(C)CCC[N@@H+](CCCc2c[nH+]ccc2C)CC1 ZINC000377634671 379711368 /nfs/dbraw/zinc/71/13/68/379711368.db2.gz YHSDKMVDZSXEPW-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP c1coc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267436099 190330608 /nfs/dbraw/zinc/33/06/08/190330608.db2.gz NUNYSKAUXSBWJS-GFCCVEGCSA-N 2 2 298.346 3.037 20 0 CGADLP c1coc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267436099 190330609 /nfs/dbraw/zinc/33/06/09/190330609.db2.gz NUNYSKAUXSBWJS-GFCCVEGCSA-N 2 2 298.346 3.037 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000352487416 379834550 /nfs/dbraw/zinc/83/45/50/379834550.db2.gz DUMBMCDMYMMSLB-AWEZNQCLSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000352487416 379834555 /nfs/dbraw/zinc/83/45/55/379834555.db2.gz DUMBMCDMYMMSLB-AWEZNQCLSA-N 2 2 291.420 3.106 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389789072 379903709 /nfs/dbraw/zinc/90/37/09/379903709.db2.gz OERUOTLOLBUMNJ-ZOBUZTSGSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389789072 379903719 /nfs/dbraw/zinc/90/37/19/379903719.db2.gz OERUOTLOLBUMNJ-ZOBUZTSGSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000399021366 379933133 /nfs/dbraw/zinc/93/31/33/379933133.db2.gz HJNVRMQRDCIGNY-JTNHKYCSSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC000399027239 379933410 /nfs/dbraw/zinc/93/34/10/379933410.db2.gz HUZHTHQCMQAMCI-BBRMVZONSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000399039841 379933416 /nfs/dbraw/zinc/93/34/16/379933416.db2.gz QTLMCRAGWYZIDU-NTZNESFSSA-N 2 2 284.350 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)cc1 ZINC000399055236 379934136 /nfs/dbraw/zinc/93/41/36/379934136.db2.gz WXKMCKLKTQISLH-UHIISALHSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[NH2+]1 ZINC000399123771 379934239 /nfs/dbraw/zinc/93/42/39/379934239.db2.gz IZXUSOZPVCIJTL-MPKXVKKWSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718493 379953964 /nfs/dbraw/zinc/95/39/64/379953964.db2.gz NVJYLIALBJWBFO-JTNHKYCSSA-N 2 2 252.789 3.131 20 0 CGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641294424 379986710 /nfs/dbraw/zinc/98/67/10/379986710.db2.gz GRPLMLQRPQOTBR-UHFFFAOYSA-N 2 2 299.418 3.026 20 0 CGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641294424 379986714 /nfs/dbraw/zinc/98/67/14/379986714.db2.gz GRPLMLQRPQOTBR-UHFFFAOYSA-N 2 2 299.418 3.026 20 0 CGADLP C[N@@H+]1CCCC12CCN(c1cc(C(C)(C)C)cc[nH+]1)CC2 ZINC000641477122 380014637 /nfs/dbraw/zinc/01/46/37/380014637.db2.gz VDXQPVKGBNDDQB-UHFFFAOYSA-N 2 2 287.451 3.444 20 0 CGADLP C[N@H+]1CCCC12CCN(c1cc(C(C)(C)C)cc[nH+]1)CC2 ZINC000641477122 380014645 /nfs/dbraw/zinc/01/46/45/380014645.db2.gz VDXQPVKGBNDDQB-UHFFFAOYSA-N 2 2 287.451 3.444 20 0 CGADLP CCC[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347885061 218390789 /nfs/dbraw/zinc/39/07/89/218390789.db2.gz RFDZREDXPOEONA-CYBMUJFWSA-N 2 2 281.469 3.217 20 0 CGADLP CCC[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347885061 218390791 /nfs/dbraw/zinc/39/07/91/218390791.db2.gz RFDZREDXPOEONA-CYBMUJFWSA-N 2 2 281.469 3.217 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352902472 380027318 /nfs/dbraw/zinc/02/73/18/380027318.db2.gz SEYJIFRFJGMBHR-JQFCIGGWSA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000352902472 380027322 /nfs/dbraw/zinc/02/73/22/380027322.db2.gz SEYJIFRFJGMBHR-JQFCIGGWSA-N 2 2 258.409 3.210 20 0 CGADLP CSc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)o1 ZINC000641747296 380075005 /nfs/dbraw/zinc/07/50/05/380075005.db2.gz IVRWWKVLHBXUQW-UHFFFAOYSA-N 2 2 282.453 3.213 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000347904700 218395206 /nfs/dbraw/zinc/39/52/06/218395206.db2.gz MVXAFOPGCNALAW-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000347904700 218395208 /nfs/dbraw/zinc/39/52/08/218395208.db2.gz MVXAFOPGCNALAW-UHFFFAOYSA-N 3 2 289.467 3.177 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380044995 /nfs/dbraw/zinc/04/49/95/380044995.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380044998 /nfs/dbraw/zinc/04/49/98/380044998.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380045001 /nfs/dbraw/zinc/04/50/01/380045001.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@H]2C1 ZINC000352931824 380045005 /nfs/dbraw/zinc/04/50/05/380045005.db2.gz OEJQDRLMNCUJPL-LRDDRELGSA-N 2 2 288.366 3.098 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nsc2ccccc21 ZINC000641797164 380112126 /nfs/dbraw/zinc/11/21/26/380112126.db2.gz WJRKEDCPSWLPQN-ZDUSSCGKSA-N 2 2 277.437 3.102 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nsc2ccccc21 ZINC000641797164 380112131 /nfs/dbraw/zinc/11/21/31/380112131.db2.gz WJRKEDCPSWLPQN-ZDUSSCGKSA-N 2 2 277.437 3.102 20 0 CGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000284098711 380124996 /nfs/dbraw/zinc/12/49/96/380124996.db2.gz MRMPEVUTDZMVDL-CQSZACIVSA-N 2 2 287.407 3.286 20 0 CGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000284098711 380125005 /nfs/dbraw/zinc/12/50/05/380125005.db2.gz MRMPEVUTDZMVDL-CQSZACIVSA-N 2 2 287.407 3.286 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccccc2C)c[nH+]1 ZINC000353942645 380246290 /nfs/dbraw/zinc/24/62/90/380246290.db2.gz GZULBZGCFJMSOK-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000353970166 380256879 /nfs/dbraw/zinc/25/68/79/380256879.db2.gz CETRFDQZACBRMW-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000353970166 380256884 /nfs/dbraw/zinc/25/68/84/380256884.db2.gz CETRFDQZACBRMW-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000353970981 380257826 /nfs/dbraw/zinc/25/78/26/380257826.db2.gz HLVMRGOZUDUHIN-HZPDHXFCSA-N 2 2 289.467 3.278 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000353970981 380257830 /nfs/dbraw/zinc/25/78/30/380257830.db2.gz HLVMRGOZUDUHIN-HZPDHXFCSA-N 2 2 289.467 3.278 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc(C)c1 ZINC000353502426 380210680 /nfs/dbraw/zinc/21/06/80/380210680.db2.gz LEHASBBYOQWIDY-ZWKOTPCHSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc(C)c1 ZINC000353502426 380210688 /nfs/dbraw/zinc/21/06/88/380210688.db2.gz LEHASBBYOQWIDY-ZWKOTPCHSA-N 2 2 290.451 3.147 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065675 380210966 /nfs/dbraw/zinc/21/09/66/380210966.db2.gz FEJNZDMXLWAUBC-MJGOQNOKSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000643065675 380210970 /nfs/dbraw/zinc/21/09/70/380210970.db2.gz FEJNZDMXLWAUBC-MJGOQNOKSA-N 2 2 280.415 3.066 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066442 380211018 /nfs/dbraw/zinc/21/10/18/380211018.db2.gz OPELECAHLDZZFC-ICSRJNTNSA-N 2 2 294.442 3.456 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066442 380211025 /nfs/dbraw/zinc/21/10/25/380211025.db2.gz OPELECAHLDZZFC-ICSRJNTNSA-N 2 2 294.442 3.456 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)c(Cl)c1 ZINC000643500842 380321064 /nfs/dbraw/zinc/32/10/64/380321064.db2.gz BEDSYNIUINTNOO-PWSUYJOCSA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643501006 380323422 /nfs/dbraw/zinc/32/34/22/380323422.db2.gz OZGUKWYRTOFGHF-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000643501673 380324219 /nfs/dbraw/zinc/32/42/19/380324219.db2.gz NNOCYNRZWOOPFQ-WBVHZDCISA-N 2 2 288.435 3.249 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc2c(s1)CCC2 ZINC000643502135 380324668 /nfs/dbraw/zinc/32/46/68/380324668.db2.gz YBFRGYXECZHFDA-AAEUAGOBSA-N 2 2 264.438 3.030 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(C)ccc1OC ZINC000643502128 380324977 /nfs/dbraw/zinc/32/49/77/380324977.db2.gz XRTCEYQUUBHVMG-GOEBONIOSA-N 2 2 276.424 3.186 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1SC ZINC000643502071 380324996 /nfs/dbraw/zinc/32/49/96/380324996.db2.gz XAUUCJIEVKADKX-GXTWGEPZSA-N 2 2 294.464 3.210 20 0 CGADLP COc1ccccc1[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643507215 380329723 /nfs/dbraw/zinc/32/97/23/380329723.db2.gz WCYKPMAOSYVEDN-GOSISDBHSA-N 2 2 288.435 3.268 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507334 380330422 /nfs/dbraw/zinc/33/04/22/380330422.db2.gz ZRFUOZKXRZUKAZ-GFCCVEGCSA-N 2 2 264.438 3.201 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000414497814 380273776 /nfs/dbraw/zinc/27/37/76/380273776.db2.gz GTXSOCWTQHHTHD-YOEHRIQHSA-N 2 2 276.424 3.116 20 0 CGADLP CC[NH+](CC)CCCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414708331 380383254 /nfs/dbraw/zinc/38/32/54/380383254.db2.gz IWBFSIUAJZHGSX-UHFFFAOYSA-N 3 2 297.531 3.209 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000414709074 380383623 /nfs/dbraw/zinc/38/36/23/380383623.db2.gz OOAFBYZIGLBPIK-UHFFFAOYSA-N 2 2 270.367 3.178 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(F)cc1F ZINC000354290824 380388361 /nfs/dbraw/zinc/38/83/61/380388361.db2.gz YEAZLXJHZLKEBC-LLVKDONJSA-N 2 2 287.313 3.463 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(OCCC)c1 ZINC000643525697 380341395 /nfs/dbraw/zinc/34/13/95/380341395.db2.gz BBGKZTMHFNBDBC-UONOGXRCSA-N 2 2 294.439 3.262 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000643529096 380346492 /nfs/dbraw/zinc/34/64/92/380346492.db2.gz VEISOPLOXKSUMM-XPUUQOCRSA-N 2 2 279.236 3.369 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167409 380351498 /nfs/dbraw/zinc/35/14/98/380351498.db2.gz QIEZAMSYCKMOIL-KYJSFNMBSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000354167409 380351501 /nfs/dbraw/zinc/35/15/01/380351501.db2.gz QIEZAMSYCKMOIL-KYJSFNMBSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354167409 380351505 /nfs/dbraw/zinc/35/15/05/380351505.db2.gz QIEZAMSYCKMOIL-KYJSFNMBSA-N 2 2 288.435 3.321 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000354167409 380351509 /nfs/dbraw/zinc/35/15/09/380351509.db2.gz QIEZAMSYCKMOIL-KYJSFNMBSA-N 2 2 288.435 3.321 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000414649876 380352645 /nfs/dbraw/zinc/35/26/45/380352645.db2.gz ALVWUNJSUAQTDG-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000414649876 380352650 /nfs/dbraw/zinc/35/26/50/380352650.db2.gz ALVWUNJSUAQTDG-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000643538320 380355995 /nfs/dbraw/zinc/35/59/95/380355995.db2.gz GVKONPWYUZYNPG-OEAJRASXSA-N 2 2 296.817 3.266 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1sccc1Br ZINC000414814248 380426389 /nfs/dbraw/zinc/42/63/89/380426389.db2.gz NRFICZYHMIFGTB-VIFPVBQESA-N 2 2 291.258 3.118 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000414815425 380426605 /nfs/dbraw/zinc/42/66/05/380426605.db2.gz PJIPYHPCTJTIFF-LBPRGKRZSA-N 2 2 293.436 3.319 20 0 CGADLP C[C@H]([NH3+])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000414816000 380427324 /nfs/dbraw/zinc/42/73/24/380427324.db2.gz WAINGSSUASZONG-AWEZNQCLSA-N 2 2 296.418 3.314 20 0 CGADLP C[C@@H](CC[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414824080 380434497 /nfs/dbraw/zinc/43/44/97/380434497.db2.gz AABOYJVRJOPLGZ-MAUKXSAKSA-N 2 2 268.404 3.470 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414856786 380457488 /nfs/dbraw/zinc/45/74/88/380457488.db2.gz ZNUMITNBYGGNMW-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414830836 380440220 /nfs/dbraw/zinc/44/02/20/380440220.db2.gz BQDSGAQFBGUUNP-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000414854760 380455227 /nfs/dbraw/zinc/45/52/27/380455227.db2.gz VKJVPFMTIPAZAQ-AWEZNQCLSA-N 2 2 286.341 3.101 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414777808 380401129 /nfs/dbraw/zinc/40/11/29/380401129.db2.gz IKJWSUJPOOGIOI-DZGCQCFKSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414777808 380401132 /nfs/dbraw/zinc/40/11/32/380401132.db2.gz IKJWSUJPOOGIOI-DZGCQCFKSA-N 2 2 272.417 3.085 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C1CCCCC1 ZINC000414853095 380455755 /nfs/dbraw/zinc/45/57/55/380455755.db2.gz RTAWZMFOUHHJLU-QGZVFWFLSA-N 2 2 299.418 3.339 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414860277 380461770 /nfs/dbraw/zinc/46/17/70/380461770.db2.gz CHTWVLQIFHIOAJ-AWEZNQCLSA-N 2 2 290.407 3.396 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000354699202 380531403 /nfs/dbraw/zinc/53/14/03/380531403.db2.gz FPPJJJWJPSGQCF-AWEZNQCLSA-N 2 2 279.428 3.184 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000354699202 380531408 /nfs/dbraw/zinc/53/14/08/380531408.db2.gz FPPJJJWJPSGQCF-AWEZNQCLSA-N 2 2 279.428 3.184 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417297126 380585597 /nfs/dbraw/zinc/58/55/97/380585597.db2.gz IFWGBVLXMXMHGE-MELADBBJSA-N 2 2 266.454 3.172 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352609 380603992 /nfs/dbraw/zinc/60/39/92/380603992.db2.gz VMOYBUGFLGEZTK-FVCCEPFGSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417352609 380603996 /nfs/dbraw/zinc/60/39/96/380603996.db2.gz VMOYBUGFLGEZTK-FVCCEPFGSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C(C)(C)c1ccccc1 ZINC000417360082 380607680 /nfs/dbraw/zinc/60/76/80/380607680.db2.gz WYARYRUZQWVAHN-CQSZACIVSA-N 2 2 260.425 3.037 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+]CC[N@H+]1CC=CCC1 ZINC000355559927 380710133 /nfs/dbraw/zinc/71/01/33/380710133.db2.gz FYDZISOIOACCHH-UHFFFAOYSA-N 2 2 266.388 3.191 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355559927 380710137 /nfs/dbraw/zinc/71/01/37/380710137.db2.gz FYDZISOIOACCHH-UHFFFAOYSA-N 2 2 266.388 3.191 20 0 CGADLP Cc1ccoc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000355706328 380755858 /nfs/dbraw/zinc/75/58/58/380755858.db2.gz PHIMJPJZUNNPTL-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186661 194322969 /nfs/dbraw/zinc/32/29/69/194322969.db2.gz CGGDDLNPVACNMR-CYBMUJFWSA-N 2 2 268.351 3.008 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000279186661 194322972 /nfs/dbraw/zinc/32/29/72/194322972.db2.gz CGGDDLNPVACNMR-CYBMUJFWSA-N 2 2 268.351 3.008 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001557 380796012 /nfs/dbraw/zinc/79/60/12/380796012.db2.gz SQUKKCRYZVODCS-UHFFFAOYSA-N 2 2 276.424 3.006 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419339571 380807756 /nfs/dbraw/zinc/80/77/56/380807756.db2.gz UZSCZTKBDFOAIL-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419339571 380807759 /nfs/dbraw/zinc/80/77/59/380807759.db2.gz UZSCZTKBDFOAIL-HUUCEWRRSA-N 2 2 263.429 3.420 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000356900768 380927726 /nfs/dbraw/zinc/92/77/26/380927726.db2.gz PDGYUPPLTXINNW-UHFFFAOYSA-N 2 2 290.373 3.183 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339149 380882313 /nfs/dbraw/zinc/88/23/13/380882313.db2.gz FPWZFANYDVUXFX-ACJLOTCBSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000421339149 380882323 /nfs/dbraw/zinc/88/23/23/380882323.db2.gz FPWZFANYDVUXFX-ACJLOTCBSA-N 2 2 270.420 3.136 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000421372028 380910616 /nfs/dbraw/zinc/91/06/16/380910616.db2.gz LQHYEIUWLHBKPI-OAHLLOKOSA-N 2 2 282.378 3.457 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000356883531 380918060 /nfs/dbraw/zinc/91/80/60/380918060.db2.gz VVLLIZUTIHGAEY-JQHSSLGASA-N 2 2 290.451 3.002 20 0 CGADLP CC[NH+](CC)CCCC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000360174111 381466864 /nfs/dbraw/zinc/46/68/64/381466864.db2.gz HVMRQOWNYHKWPV-UHFFFAOYSA-N 2 2 290.455 3.123 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCCc2ccc(O)cc21)[NH+]1CCCC1 ZINC000361078164 381647756 /nfs/dbraw/zinc/64/77/56/381647756.db2.gz GHAXITIRSMDXDC-YJBOKZPZSA-N 2 2 288.435 3.234 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361481370 381766504 /nfs/dbraw/zinc/76/65/04/381766504.db2.gz MCVUXFLDORJLQS-MRXNPFEDSA-N 2 2 255.365 3.151 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000235977420 542313586 /nfs/dbraw/zinc/31/35/86/542313586.db2.gz JVFWXDCARNVMTG-HUUCEWRRSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000235977420 542313587 /nfs/dbraw/zinc/31/35/87/542313587.db2.gz JVFWXDCARNVMTG-HUUCEWRRSA-N 2 2 278.827 3.365 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000235510131 542312436 /nfs/dbraw/zinc/31/24/36/542312436.db2.gz CXIKCNBJBZAXHP-SMDDNHRTSA-N 2 2 297.240 3.242 20 0 CGADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCC2 ZINC000368259661 382370261 /nfs/dbraw/zinc/37/02/61/382370261.db2.gz LICRLAGLQMYKLE-KRWDZBQOSA-N 2 2 297.402 3.092 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367436686 382348435 /nfs/dbraw/zinc/34/84/35/382348435.db2.gz HBKJECORIAGFKL-CHWSQXEVSA-N 2 2 261.413 3.134 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000370113666 382418330 /nfs/dbraw/zinc/41/83/30/382418330.db2.gz SDECZYAMEGXMGX-CQSZACIVSA-N 2 2 299.418 3.121 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000250909486 542344815 /nfs/dbraw/zinc/34/48/15/542344815.db2.gz WYVAGSKKHZEYPD-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000250909486 542344817 /nfs/dbraw/zinc/34/48/17/542344817.db2.gz WYVAGSKKHZEYPD-XJKSGUPXSA-N 2 2 296.817 3.443 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252135126 542349027 /nfs/dbraw/zinc/34/90/27/542349027.db2.gz LKILQJAONVWRPQ-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252135126 542349030 /nfs/dbraw/zinc/34/90/30/542349030.db2.gz LKILQJAONVWRPQ-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417012 542350177 /nfs/dbraw/zinc/35/01/77/542350177.db2.gz PZIHBZWQIDWHJD-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417012 542350180 /nfs/dbraw/zinc/35/01/80/542350180.db2.gz PZIHBZWQIDWHJD-BLLLJJGKSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000268804408 542361640 /nfs/dbraw/zinc/36/16/40/542361640.db2.gz ZWPBVOWYZZVXCA-IXDOHACOSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000268804408 542361643 /nfs/dbraw/zinc/36/16/43/542361643.db2.gz ZWPBVOWYZZVXCA-IXDOHACOSA-N 2 2 274.383 3.029 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271136162 542364888 /nfs/dbraw/zinc/36/48/88/542364888.db2.gz TZNGXBGDIQJYFK-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000271136162 542364893 /nfs/dbraw/zinc/36/48/93/542364893.db2.gz TZNGXBGDIQJYFK-HNNXBMFYSA-N 2 2 285.391 3.106 20 0 CGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[NH+](C)C ZINC000289424257 197339673 /nfs/dbraw/zinc/33/96/73/197339673.db2.gz CZBPOUQRTADFRD-SRXBQZRASA-N 2 2 298.377 3.231 20 0 CGADLP C[C@H]1C[C@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747143 220301118 /nfs/dbraw/zinc/30/11/18/220301118.db2.gz OFVSPFKXWJYBOC-KBPBESRZSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353747143 220301123 /nfs/dbraw/zinc/30/11/23/220301123.db2.gz OFVSPFKXWJYBOC-KBPBESRZSA-N 2 2 255.365 3.103 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752690 220306720 /nfs/dbraw/zinc/30/67/20/220306720.db2.gz TXXBAYFINFGBEB-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752690 220306723 /nfs/dbraw/zinc/30/67/23/220306723.db2.gz TXXBAYFINFGBEB-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752690 220306725 /nfs/dbraw/zinc/30/67/25/220306725.db2.gz TXXBAYFINFGBEB-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2F)C[C@H]1C ZINC000353752690 220306729 /nfs/dbraw/zinc/30/67/29/220306729.db2.gz TXXBAYFINFGBEB-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755950 220309435 /nfs/dbraw/zinc/30/94/35/220309435.db2.gz UDIMAUCWBWGXLT-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755950 220309438 /nfs/dbraw/zinc/30/94/38/220309438.db2.gz UDIMAUCWBWGXLT-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755950 220309439 /nfs/dbraw/zinc/30/94/39/220309439.db2.gz UDIMAUCWBWGXLT-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000353755950 220309440 /nfs/dbraw/zinc/30/94/40/220309440.db2.gz UDIMAUCWBWGXLT-JSGCOSHPSA-N 2 2 282.378 3.269 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(F)(F)F)CC1 ZINC000289329818 197298555 /nfs/dbraw/zinc/29/85/55/197298555.db2.gz DLPFFGYPYVYUOK-UHFFFAOYSA-N 2 2 288.313 3.186 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286105572 542390264 /nfs/dbraw/zinc/39/02/64/542390264.db2.gz MVXFARUNZBATOB-CYBMUJFWSA-N 2 2 272.396 3.425 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000289295360 197286719 /nfs/dbraw/zinc/28/67/19/197286719.db2.gz QEBKAOWSGDPINO-UHFFFAOYSA-N 2 2 291.826 3.447 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cc(Cl)cn1C ZINC000289295360 197286720 /nfs/dbraw/zinc/28/67/20/197286720.db2.gz QEBKAOWSGDPINO-UHFFFAOYSA-N 2 2 291.826 3.447 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289099466 197234588 /nfs/dbraw/zinc/23/45/88/197234588.db2.gz BZMDGCJARRPARF-QGZVFWFLSA-N 2 2 284.407 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289099466 197234589 /nfs/dbraw/zinc/23/45/89/197234589.db2.gz BZMDGCJARRPARF-QGZVFWFLSA-N 2 2 284.407 3.273 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3c4ccccc4O[C@H]3C)n2c1 ZINC000288453121 197082173 /nfs/dbraw/zinc/08/21/73/197082173.db2.gz DDUOSXRMYUJYIE-UGSOOPFHSA-N 2 2 293.370 3.255 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328288004 542443602 /nfs/dbraw/zinc/44/36/02/542443602.db2.gz UBYWVIJTMZNSDM-MRXNPFEDSA-N 2 2 260.425 3.038 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328288004 542443606 /nfs/dbraw/zinc/44/36/06/542443606.db2.gz UBYWVIJTMZNSDM-MRXNPFEDSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281280467 195179058 /nfs/dbraw/zinc/17/90/58/195179058.db2.gz ISPBGWLIHGFFGC-CQSZACIVSA-N 2 2 287.407 3.307 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281280467 195179060 /nfs/dbraw/zinc/17/90/60/195179060.db2.gz ISPBGWLIHGFFGC-CQSZACIVSA-N 2 2 287.407 3.307 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000248045979 285289334 /nfs/dbraw/zinc/28/93/34/285289334.db2.gz VDQMPGXMHMGHRT-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000248045979 285289335 /nfs/dbraw/zinc/28/93/35/285289335.db2.gz VDQMPGXMHMGHRT-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CC[C@H]3C3CC3)[nH]c2c1 ZINC000348083022 542514009 /nfs/dbraw/zinc/51/40/09/542514009.db2.gz JXJKRKAQUUFKRK-UONOGXRCSA-N 2 2 269.392 3.274 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2)o1 ZINC000423290320 533352177 /nfs/dbraw/zinc/35/21/77/533352177.db2.gz ZQOHFFHVXLWPHG-GFCCVEGCSA-N 2 2 258.365 3.335 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423283548 533352561 /nfs/dbraw/zinc/35/25/61/533352561.db2.gz FRABDNPXKXMFRS-SNVBAGLBSA-N 2 2 293.411 3.337 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1Cl ZINC000423324598 533360877 /nfs/dbraw/zinc/36/08/77/533360877.db2.gz KPOWDOFRLMRFOL-SECBINFHSA-N 2 2 256.752 3.011 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000414062213 533407292 /nfs/dbraw/zinc/40/72/92/533407292.db2.gz LAZDATBIKPCVOS-BFYDXBDKSA-N 2 2 283.419 3.108 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cnn(C2CCCC2)c1 ZINC000423247845 533411509 /nfs/dbraw/zinc/41/15/09/533411509.db2.gz LRZMITWEQZAZQY-RDTXWAMCSA-N 2 2 298.434 3.349 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCC2 ZINC000368103669 533527895 /nfs/dbraw/zinc/52/78/95/533527895.db2.gz XUEXPHFQBVVKSL-MLGOLLRUSA-N 2 2 281.403 3.107 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000368103669 533527899 /nfs/dbraw/zinc/52/78/99/533527899.db2.gz XUEXPHFQBVVKSL-MLGOLLRUSA-N 2 2 281.403 3.107 20 0 CGADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423433500 533468180 /nfs/dbraw/zinc/46/81/80/533468180.db2.gz RNLPDFLJVOFFLO-BBRMVZONSA-N 2 2 260.425 3.288 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000424328666 533519531 /nfs/dbraw/zinc/51/95/31/533519531.db2.gz FKOCDJIDHIHGIU-LERXQTSPSA-N 2 2 252.789 3.261 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408120 533537615 /nfs/dbraw/zinc/53/76/15/533537615.db2.gz WZVYSNROMJMLQY-COCCGSRQSA-N 2 2 268.404 3.474 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423197090 533541858 /nfs/dbraw/zinc/54/18/58/533541858.db2.gz XRLZDOZHXQJDCG-KDOFPFPSSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(-c2ccccc2)c1 ZINC000423206260 533546686 /nfs/dbraw/zinc/54/66/86/533546686.db2.gz QFROCNGMDFAGSX-KDOFPFPSSA-N 2 2 266.388 3.366 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[N@@H+]1C1CC1 ZINC000357788502 533650308 /nfs/dbraw/zinc/65/03/08/533650308.db2.gz MAKWAMONZYPOQA-INMHGKMJSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[N@H+]1C1CC1 ZINC000357788502 533650316 /nfs/dbraw/zinc/65/03/16/533650316.db2.gz MAKWAMONZYPOQA-INMHGKMJSA-N 2 2 292.467 3.083 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437107876 533655878 /nfs/dbraw/zinc/65/58/78/533655878.db2.gz LPEOYDBBWPTOCX-AWEZNQCLSA-N 2 2 278.415 3.221 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389327787 542608801 /nfs/dbraw/zinc/60/88/01/542608801.db2.gz HFPFNUWWHIBHJO-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389327787 542608803 /nfs/dbraw/zinc/60/88/03/542608803.db2.gz HFPFNUWWHIBHJO-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000393285594 542612741 /nfs/dbraw/zinc/61/27/41/542612741.db2.gz OWKRTZGPIMNWCZ-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000393285594 542612746 /nfs/dbraw/zinc/61/27/46/542612746.db2.gz OWKRTZGPIMNWCZ-GDBMZVCRSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)=CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000191628842 130266946 /nfs/dbraw/zinc/26/69/46/130266946.db2.gz XXAPLVGIUKLJDJ-UHFFFAOYSA-N 2 2 255.365 3.237 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412032008 542630977 /nfs/dbraw/zinc/63/09/77/542630977.db2.gz GRQGGZPHMKJEQI-CQSZACIVSA-N 2 2 277.456 3.499 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000412032008 542630981 /nfs/dbraw/zinc/63/09/81/542630981.db2.gz GRQGGZPHMKJEQI-CQSZACIVSA-N 2 2 277.456 3.499 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@H+](C)C(C)C)c1 ZINC000054111470 392090951 /nfs/dbraw/zinc/09/09/51/392090951.db2.gz JGXWCZVDAPNPAF-INIZCTEOSA-N 2 2 262.441 3.246 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)c1 ZINC000054111470 392090959 /nfs/dbraw/zinc/09/09/59/392090959.db2.gz JGXWCZVDAPNPAF-INIZCTEOSA-N 2 2 262.441 3.246 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000361861794 392347527 /nfs/dbraw/zinc/34/75/27/392347527.db2.gz HMYHFOYXWJMAIL-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000361861794 392347531 /nfs/dbraw/zinc/34/75/31/392347531.db2.gz HMYHFOYXWJMAIL-SFHVURJKSA-N 2 2 299.418 3.038 20 0 CGADLP CC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000434763248 542656090 /nfs/dbraw/zinc/65/60/90/542656090.db2.gz JYPJLFYAMUPJJH-UHFFFAOYSA-N 2 2 257.381 3.275 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)o1 ZINC000237466190 131033774 /nfs/dbraw/zinc/03/37/74/131033774.db2.gz ZUEJMTMQCFYDKK-CZUORRHYSA-N 2 2 295.386 3.383 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000361970567 392379061 /nfs/dbraw/zinc/37/90/61/392379061.db2.gz HYFWJMDHVBFOMG-GDBMZVCRSA-N 2 2 278.465 3.083 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478277 392387149 /nfs/dbraw/zinc/38/71/49/392387149.db2.gz KLCHCGPEDSEMON-CHWSQXEVSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478277 392387156 /nfs/dbraw/zinc/38/71/56/392387156.db2.gz KLCHCGPEDSEMON-CHWSQXEVSA-N 2 2 266.816 3.285 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000367067437 392467503 /nfs/dbraw/zinc/46/75/03/392467503.db2.gz RSTKHTCMCLDAAQ-RDJZCZTQSA-N 2 2 275.440 3.039 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367067436 392467707 /nfs/dbraw/zinc/46/77/07/392467707.db2.gz RSTKHTCMCLDAAQ-NVXWUHKLSA-N 2 2 275.440 3.039 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000291779643 392480425 /nfs/dbraw/zinc/48/04/25/392480425.db2.gz UUMGPSJJLMKDQN-CZUORRHYSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000291779643 392480427 /nfs/dbraw/zinc/48/04/27/392480427.db2.gz UUMGPSJJLMKDQN-CZUORRHYSA-N 2 2 294.389 3.284 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000151916204 392489724 /nfs/dbraw/zinc/48/97/24/392489724.db2.gz DAJYSKFSMDMWEV-CQSZACIVSA-N 2 2 284.831 3.341 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000162432194 392595726 /nfs/dbraw/zinc/59/57/26/392595726.db2.gz ZAQKKWHGKRCYRE-AWEZNQCLSA-N 2 2 294.414 3.361 20 0 CGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553939 392767583 /nfs/dbraw/zinc/76/75/83/392767583.db2.gz NODNUNZIWCUOKN-CQSZACIVSA-N 2 2 296.361 3.052 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000647495377 392740420 /nfs/dbraw/zinc/74/04/20/392740420.db2.gz RVWDTIOYEIAZCD-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000647495377 392740427 /nfs/dbraw/zinc/74/04/27/392740427.db2.gz RVWDTIOYEIAZCD-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F ZINC000647534146 392755985 /nfs/dbraw/zinc/75/59/85/392755985.db2.gz HMWGNIMNGKOXEJ-ZFWWWQNUSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1C(F)(F)F ZINC000647534146 392755993 /nfs/dbraw/zinc/75/59/93/392755993.db2.gz HMWGNIMNGKOXEJ-ZFWWWQNUSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CC3 ZINC000180239189 392707853 /nfs/dbraw/zinc/70/78/53/392707853.db2.gz CXMBBLXRMKUGHR-LSDHHAIUSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CC3 ZINC000180239189 392707855 /nfs/dbraw/zinc/70/78/55/392707855.db2.gz CXMBBLXRMKUGHR-LSDHHAIUSA-N 2 2 297.446 3.017 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)Cc3cccs3)cn21 ZINC000647364822 392708094 /nfs/dbraw/zinc/70/80/94/392708094.db2.gz NTHBYQHYSIAMEK-CYBMUJFWSA-N 2 2 299.443 3.468 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Cl ZINC000334184962 392709102 /nfs/dbraw/zinc/70/91/02/392709102.db2.gz DLDXYBZDYDDFAV-QWRGUYRKSA-N 2 2 275.783 3.271 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1Cl ZINC000334184962 392709110 /nfs/dbraw/zinc/70/91/10/392709110.db2.gz DLDXYBZDYDDFAV-QWRGUYRKSA-N 2 2 275.783 3.271 20 0 CGADLP CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000647793718 392798682 /nfs/dbraw/zinc/79/86/82/392798682.db2.gz GARDFIOCXKUUID-XQHKEYJVSA-N 2 2 292.389 3.331 20 0 CGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000510693311 392809808 /nfs/dbraw/zinc/80/98/08/392809808.db2.gz AHSKOYMWFJKXIP-SJCJKPOMSA-N 2 2 296.405 3.216 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000375929838 392842655 /nfs/dbraw/zinc/84/26/55/392842655.db2.gz FWUFJSOOAQESAU-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000375929838 392842664 /nfs/dbraw/zinc/84/26/64/392842664.db2.gz FWUFJSOOAQESAU-CQSZACIVSA-N 2 2 289.810 3.453 20 0 CGADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000647845097 392811946 /nfs/dbraw/zinc/81/19/46/392811946.db2.gz OPEPXKCVLHWGFQ-UHFFFAOYSA-N 2 2 296.418 3.170 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925541 392835738 /nfs/dbraw/zinc/83/57/38/392835738.db2.gz MZUNRRDFQUAFEF-JTQLQIEISA-N 2 2 270.779 3.353 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337995747 392895329 /nfs/dbraw/zinc/89/53/29/392895329.db2.gz PIALKFPSGVOMDU-CVEARBPZSA-N 2 2 250.430 3.031 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000512661973 392852059 /nfs/dbraw/zinc/85/20/59/392852059.db2.gz VFGFJYJARQFJGB-GCSSGZNBSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000512661973 392852071 /nfs/dbraw/zinc/85/20/71/392852071.db2.gz VFGFJYJARQFJGB-GCSSGZNBSA-N 2 2 252.446 3.129 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC1(C)C)CCC2 ZINC000336580178 392863863 /nfs/dbraw/zinc/86/38/63/392863863.db2.gz JIEYEXGDBPRGAC-KBPBESRZSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)Cc2ccccc2Cl)n1C ZINC000519641517 392875388 /nfs/dbraw/zinc/87/53/88/392875388.db2.gz DGGJGCGOEKPNNQ-UHFFFAOYSA-N 2 2 291.826 3.493 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000545866276 393010758 /nfs/dbraw/zinc/01/07/58/393010758.db2.gz UPKRIDPZDQIISJ-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2ccccc2F)CC1 ZINC000545866276 393010765 /nfs/dbraw/zinc/01/07/65/393010765.db2.gz UPKRIDPZDQIISJ-INIZCTEOSA-N 2 2 290.426 3.388 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc3c2CCCN3)c[nH+]1 ZINC000415042292 393109447 /nfs/dbraw/zinc/10/94/47/393109447.db2.gz UWNUXJVVIIXEHV-UHFFFAOYSA-N 2 2 295.430 3.471 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648465002 393035339 /nfs/dbraw/zinc/03/53/39/393035339.db2.gz NJNIVFKZUFYGPF-ZWNOBZJWSA-N 2 2 293.798 3.054 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465002 393035346 /nfs/dbraw/zinc/03/53/46/393035346.db2.gz NJNIVFKZUFYGPF-ZWNOBZJWSA-N 2 2 293.798 3.054 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414329390 393046981 /nfs/dbraw/zinc/04/69/81/393046981.db2.gz QLOHFUHMTOEJGL-UHFFFAOYSA-N 2 2 280.460 3.037 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546574167 393056623 /nfs/dbraw/zinc/05/66/23/393056623.db2.gz ZWKWLENTYWDWKI-INIZCTEOSA-N 2 2 250.430 3.363 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546574167 393056628 /nfs/dbraw/zinc/05/66/28/393056628.db2.gz ZWKWLENTYWDWKI-INIZCTEOSA-N 2 2 250.430 3.363 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[NH2+]1 ZINC000414949274 393058508 /nfs/dbraw/zinc/05/85/08/393058508.db2.gz NKKLOOVZTYIUSX-GHMZBOCLSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414960887 393066431 /nfs/dbraw/zinc/06/64/31/393066431.db2.gz VJUOTNSOULMOKH-GXFFZTMASA-N 2 2 293.461 3.102 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414988603 393080296 /nfs/dbraw/zinc/08/02/96/393080296.db2.gz LEVHJKSWMRYPAW-GJZGRUSLSA-N 2 2 284.394 3.388 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000414986439 393081062 /nfs/dbraw/zinc/08/10/62/393081062.db2.gz HHLZYOKVARDJNM-DZKIICNBSA-N 2 2 282.378 3.069 20 0 CGADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056234 393116652 /nfs/dbraw/zinc/11/66/52/393116652.db2.gz RZAWOXSPRJRPCG-CECVADTLSA-N 2 2 278.399 3.045 20 0 CGADLP Cc1ccc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415059524 393122445 /nfs/dbraw/zinc/12/24/45/393122445.db2.gz XCIVOLWCLQKAFM-RBUKOAKNSA-N 2 2 280.415 3.149 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)n1 ZINC000547509932 393125868 /nfs/dbraw/zinc/12/58/68/393125868.db2.gz YQHSDQZKQZHKFQ-UHFFFAOYSA-N 2 2 296.418 3.170 20 0 CGADLP c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(OC2CCCC2)c1 ZINC000415069164 393126584 /nfs/dbraw/zinc/12/65/84/393126584.db2.gz OETVKLCTHBOLDC-INIZCTEOSA-N 2 2 288.435 3.240 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C[N@@H+]1C1CC1 ZINC000252754491 393126928 /nfs/dbraw/zinc/12/69/28/393126928.db2.gz ZDUOPKRPZOOHQZ-XUWXXGDYSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C[N@H+]1C1CC1 ZINC000252754491 393126934 /nfs/dbraw/zinc/12/69/34/393126934.db2.gz ZDUOPKRPZOOHQZ-XUWXXGDYSA-N 2 2 270.420 3.279 20 0 CGADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000415074413 393130161 /nfs/dbraw/zinc/13/01/61/393130161.db2.gz COWQLKJGMQLHAZ-NEPJUHHUSA-N 2 2 283.485 3.465 20 0 CGADLP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000261544929 393141310 /nfs/dbraw/zinc/14/13/10/393141310.db2.gz FGTJEUGJUFFFEH-LLVKDONJSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000415128890 393152618 /nfs/dbraw/zinc/15/26/18/393152618.db2.gz OOWWZIWXPFBNSP-DTWKUNHWSA-N 2 2 293.263 3.472 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000415128890 393152622 /nfs/dbraw/zinc/15/26/22/393152622.db2.gz OOWWZIWXPFBNSP-DTWKUNHWSA-N 2 2 293.263 3.472 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000468805305 393161186 /nfs/dbraw/zinc/16/11/86/393161186.db2.gz CGTZHXMWAIJCSZ-RYQLBKOJSA-N 2 2 274.452 3.041 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000468805305 393161196 /nfs/dbraw/zinc/16/11/96/393161196.db2.gz CGTZHXMWAIJCSZ-RYQLBKOJSA-N 2 2 274.452 3.041 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000271274627 393248808 /nfs/dbraw/zinc/24/88/08/393248808.db2.gz PCIXGQCMMYXYJF-ZVZYQTTQSA-N 2 2 287.451 3.030 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1N(C)C ZINC000271274627 393248814 /nfs/dbraw/zinc/24/88/14/393248814.db2.gz PCIXGQCMMYXYJF-ZVZYQTTQSA-N 2 2 287.451 3.030 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000471595661 393285848 /nfs/dbraw/zinc/28/58/48/393285848.db2.gz JDTFBIHWTNIHNM-DZKIICNBSA-N 2 2 278.465 3.015 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000471595661 393285857 /nfs/dbraw/zinc/28/58/57/393285857.db2.gz JDTFBIHWTNIHNM-DZKIICNBSA-N 2 2 278.465 3.015 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647207288 393388019 /nfs/dbraw/zinc/38/80/19/393388019.db2.gz ICRILLZZWKRLTL-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647207288 393388024 /nfs/dbraw/zinc/38/80/24/393388024.db2.gz ICRILLZZWKRLTL-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000647171593 393366549 /nfs/dbraw/zinc/36/65/49/393366549.db2.gz OXWRPPGTHNWCSA-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000647171593 393366554 /nfs/dbraw/zinc/36/65/54/393366554.db2.gz OXWRPPGTHNWCSA-QWHCGFSZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1(SC)CCC1 ZINC000356184058 393372028 /nfs/dbraw/zinc/37/20/28/393372028.db2.gz BVIZWBYYIWCCMU-AWEZNQCLSA-N 2 2 270.486 3.126 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1(SC)CCC1 ZINC000356184058 393372036 /nfs/dbraw/zinc/37/20/36/393372036.db2.gz BVIZWBYYIWCCMU-AWEZNQCLSA-N 2 2 270.486 3.126 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385847 393480628 /nfs/dbraw/zinc/48/06/28/393480628.db2.gz FJOLEQKGIOLLCH-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385847 393480634 /nfs/dbraw/zinc/48/06/34/393480634.db2.gz FJOLEQKGIOLLCH-WBMJQRKESA-N 2 2 296.817 3.443 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCc2nccs2)c[nH+]1 ZINC000356370852 393430098 /nfs/dbraw/zinc/43/00/98/393430098.db2.gz RNKGSAGXHPNLJF-UHFFFAOYSA-N 2 2 275.421 3.002 20 0 CGADLP CC(C)c1nc(N2CCC(C[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000420177887 393433585 /nfs/dbraw/zinc/43/35/85/393433585.db2.gz DHFJTTAFIXYPMA-UHFFFAOYSA-N 2 2 290.455 3.073 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000479850268 393434440 /nfs/dbraw/zinc/43/44/40/393434440.db2.gz GXSYICVLUGTQON-ZOBUZTSGSA-N 2 2 262.441 3.184 20 0 CGADLP COc1cccc2c(N(C)CC[C@@H]([NH3+])C(C)C)cc[nH+]c12 ZINC000420212126 393438471 /nfs/dbraw/zinc/43/84/71/393438471.db2.gz WWNJWDOKLDMWFJ-CQSZACIVSA-N 2 2 287.407 3.053 20 0 CGADLP CC(C)CCC[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000429062650 393469023 /nfs/dbraw/zinc/46/90/23/393469023.db2.gz UZLFAAWVTGOKIQ-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CC(C)CCC[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000429062650 393469024 /nfs/dbraw/zinc/46/90/24/393469024.db2.gz UZLFAAWVTGOKIQ-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1cc(F)ccc1F ZINC000420364730 393475514 /nfs/dbraw/zinc/47/55/14/393475514.db2.gz KPJPLLPCRJYREC-USXUVBGUSA-N 2 2 268.351 3.002 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365781 393476914 /nfs/dbraw/zinc/47/69/14/393476914.db2.gz LPFSHMXFIFEVCZ-SUNKGSAMSA-N 2 2 268.351 3.100 20 0 CGADLP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC[NH3+])c1 ZINC000420378670 393478641 /nfs/dbraw/zinc/47/86/41/393478641.db2.gz UOIDPADJGDGKCN-RBUKOAKNSA-N 2 2 296.414 3.185 20 0 CGADLP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC[NH3+])c1 ZINC000420378670 393478645 /nfs/dbraw/zinc/47/86/45/393478645.db2.gz UOIDPADJGDGKCN-RBUKOAKNSA-N 2 2 296.414 3.185 20 0 CGADLP COc1ccc([C@H](C[NH2+]C[C@@H]2C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000488365954 393497326 /nfs/dbraw/zinc/49/73/26/393497326.db2.gz KFAARQLGFLCNSO-HFTRVMKXSA-N 2 2 288.435 3.078 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)CCc2cccn2C)c[nH+]1 ZINC000429836953 393505821 /nfs/dbraw/zinc/50/58/21/393505821.db2.gz BAFGXUMISFVFKL-HNNXBMFYSA-N 2 2 285.435 3.272 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488435333 393511819 /nfs/dbraw/zinc/51/18/19/393511819.db2.gz VIWAEXNBKPLOFM-QPSCCSFWSA-N 2 2 284.513 3.225 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488435333 393511823 /nfs/dbraw/zinc/51/18/23/393511823.db2.gz VIWAEXNBKPLOFM-QPSCCSFWSA-N 2 2 284.513 3.225 20 0 CGADLP Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000357695868 393514864 /nfs/dbraw/zinc/51/48/64/393514864.db2.gz JCRZHECDKSDYIJ-UHFFFAOYSA-N 2 2 284.407 3.283 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)Cc1ccccc1 ZINC000488443610 393515322 /nfs/dbraw/zinc/51/53/22/393515322.db2.gz WBCBGCGZKWGAPA-JQHSSLGASA-N 2 2 274.452 3.185 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358303316 393523040 /nfs/dbraw/zinc/52/30/40/393523040.db2.gz QOWKRYCVFGSBHA-GUYCJALGSA-N 2 2 270.420 3.235 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000358303316 393523044 /nfs/dbraw/zinc/52/30/44/393523044.db2.gz QOWKRYCVFGSBHA-GUYCJALGSA-N 2 2 270.420 3.235 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+]1CCCCCC1 ZINC000488460761 393523493 /nfs/dbraw/zinc/52/34/93/393523493.db2.gz PFIQFHVQNCQGGN-XHSDSOJGSA-N 2 2 252.446 3.133 20 0 CGADLP Cn1c[nH+]cc1C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000649648157 393524399 /nfs/dbraw/zinc/52/43/99/393524399.db2.gz KYSBOBQGCLQKFM-UHFFFAOYSA-N 2 2 295.430 3.191 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488471941 393526336 /nfs/dbraw/zinc/52/63/36/393526336.db2.gz WQQNROKOIIUUOY-GOSISDBHSA-N 2 2 286.463 3.472 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000666640977 542805100 /nfs/dbraw/zinc/80/51/00/542805100.db2.gz RHMDMHAXQFENSH-CVEARBPZSA-N 2 2 278.465 3.150 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000666640977 542805104 /nfs/dbraw/zinc/80/51/04/542805104.db2.gz RHMDMHAXQFENSH-CVEARBPZSA-N 2 2 278.465 3.150 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000430721747 393590107 /nfs/dbraw/zinc/59/01/07/393590107.db2.gz CTCSOGREHLZBSK-ZNMIVQPWSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000360986720 393629678 /nfs/dbraw/zinc/62/96/78/393629678.db2.gz LMXCAZHQETUNNQ-LBPRGKRZSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC000360988479 393630695 /nfs/dbraw/zinc/63/06/95/393630695.db2.gz YUIQXVTVDFUPQU-TZMCWYRMSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000360988479 393630699 /nfs/dbraw/zinc/63/06/99/393630699.db2.gz YUIQXVTVDFUPQU-TZMCWYRMSA-N 2 2 281.469 3.223 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423262625 393657985 /nfs/dbraw/zinc/65/79/85/393657985.db2.gz MXAOFCFGNHEZPE-KOLCDFICSA-N 2 2 274.330 3.128 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423267511 393658037 /nfs/dbraw/zinc/65/80/37/393658037.db2.gz TVZPRSPCFMGDAX-BXUZGUMPSA-N 2 2 282.428 3.326 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(F)c1F ZINC000423297781 393660436 /nfs/dbraw/zinc/66/04/36/393660436.db2.gz LVWYVTBUHJBIJR-GHMZBOCLSA-N 2 2 256.340 3.133 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCCF)C[N@H+](Cc2ccccc2)C1 ZINC000361058548 393660660 /nfs/dbraw/zinc/66/06/60/393660660.db2.gz FUCKAIHIYDPXNF-RDJZCZTQSA-N 2 2 278.415 3.236 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCCF)C[N@@H+](Cc2ccccc2)C1 ZINC000361058548 393660664 /nfs/dbraw/zinc/66/06/64/393660664.db2.gz FUCKAIHIYDPXNF-RDJZCZTQSA-N 2 2 278.415 3.236 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C2CCCC2)o1 ZINC000423450139 393667864 /nfs/dbraw/zinc/66/78/64/393667864.db2.gz SKYVBMUDUPSMEV-YWPYICTPSA-N 2 2 250.386 3.145 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423476896 393669861 /nfs/dbraw/zinc/66/98/61/393669861.db2.gz SVLAGQWNLPKIJZ-CABZTGNLSA-N 2 2 270.829 3.204 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(F)ccc1F ZINC000423532411 393671126 /nfs/dbraw/zinc/67/11/26/393671126.db2.gz RCEHHOKXQVGTNI-BONVTDFDSA-N 2 2 268.351 3.133 20 0 CGADLP CCOC1CC([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443217174 393750019 /nfs/dbraw/zinc/75/00/19/393750019.db2.gz RIGLYRGGVWCTAK-USSHROBNSA-N 2 2 290.451 3.143 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000425526809 393696900 /nfs/dbraw/zinc/69/69/00/393696900.db2.gz XXEFALCIYYYPHC-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)C[C@H]1C ZINC000425526809 393696905 /nfs/dbraw/zinc/69/69/05/393696905.db2.gz XXEFALCIYYYPHC-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526809 393696908 /nfs/dbraw/zinc/69/69/08/393696908.db2.gz XXEFALCIYYYPHC-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526809 393696914 /nfs/dbraw/zinc/69/69/14/393696914.db2.gz XXEFALCIYYYPHC-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434787918 393714176 /nfs/dbraw/zinc/71/41/76/393714176.db2.gz VMLUKBRIQFZATG-XUJLQICISA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434787918 393714180 /nfs/dbraw/zinc/71/41/80/393714180.db2.gz VMLUKBRIQFZATG-XUJLQICISA-N 2 2 250.430 3.172 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449545685 393895036 /nfs/dbraw/zinc/89/50/36/393895036.db2.gz ZHBFLDBNONYXND-OALUTQOASA-N 2 2 293.414 3.493 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449545685 393895041 /nfs/dbraw/zinc/89/50/41/393895041.db2.gz ZHBFLDBNONYXND-OALUTQOASA-N 2 2 293.414 3.493 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449545687 393895244 /nfs/dbraw/zinc/89/52/44/393895244.db2.gz ZHBFLDBNONYXND-RTBURBONSA-N 2 2 293.414 3.493 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449545687 393895248 /nfs/dbraw/zinc/89/52/48/393895248.db2.gz ZHBFLDBNONYXND-RTBURBONSA-N 2 2 293.414 3.493 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cscc1Cl)C1CCCC1 ZINC000666970636 542830355 /nfs/dbraw/zinc/83/03/55/542830355.db2.gz JKXCTUUJRUOAHZ-LBPRGKRZSA-N 2 2 258.818 3.009 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000449784594 393944229 /nfs/dbraw/zinc/94/42/29/393944229.db2.gz XJXRARBTHFDTSV-KRWDZBQOSA-N 2 2 287.451 3.397 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000449784594 393944232 /nfs/dbraw/zinc/94/42/32/393944232.db2.gz XJXRARBTHFDTSV-KRWDZBQOSA-N 2 2 287.451 3.397 20 0 CGADLP C[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450594275 394027253 /nfs/dbraw/zinc/02/72/53/394027253.db2.gz OXDAOZXTJPJCQJ-ZBFHGGJFSA-N 2 2 259.397 3.266 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000450594275 394027259 /nfs/dbraw/zinc/02/72/59/394027259.db2.gz OXDAOZXTJPJCQJ-ZBFHGGJFSA-N 2 2 259.397 3.266 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000450459832 393997628 /nfs/dbraw/zinc/99/76/28/393997628.db2.gz YGCAVXRLRUHPMS-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)CC[C@@H]1C ZINC000450459832 393997631 /nfs/dbraw/zinc/99/76/31/393997631.db2.gz YGCAVXRLRUHPMS-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000450459832 393997635 /nfs/dbraw/zinc/99/76/35/393997635.db2.gz YGCAVXRLRUHPMS-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000450459832 393997636 /nfs/dbraw/zinc/99/76/36/393997636.db2.gz YGCAVXRLRUHPMS-PMPSAXMXSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccncc1 ZINC000453125908 394180113 /nfs/dbraw/zinc/18/01/13/394180113.db2.gz JWTKIABSFXPTQU-HNNXBMFYSA-N 2 2 270.380 3.020 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)nc1 ZINC000453056529 394155587 /nfs/dbraw/zinc/15/55/87/394155587.db2.gz CNYWVLHWMMKZOO-LJQANCHMSA-N 2 2 299.462 3.214 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000453061568 394157054 /nfs/dbraw/zinc/15/70/54/394157054.db2.gz DAMYDFJNAWDDCK-ZOBUZTSGSA-N 2 2 292.471 3.064 20 0 CGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453062662 394157401 /nfs/dbraw/zinc/15/74/01/394157401.db2.gz FFBYDAXXEOWWGP-RVKKMQEKSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)C[C@H](C)O1 ZINC000453062662 394157403 /nfs/dbraw/zinc/15/74/03/394157403.db2.gz FFBYDAXXEOWWGP-RVKKMQEKSA-N 2 2 294.483 3.044 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000453071089 394160875 /nfs/dbraw/zinc/16/08/75/394160875.db2.gz WSBXNXUMXPCHFY-GOEBONIOSA-N 2 2 292.471 3.064 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCc3ccccc3CC2)CCC1 ZINC000453227746 394213178 /nfs/dbraw/zinc/21/31/78/394213178.db2.gz SIZYUXIAEPRYDE-UHFFFAOYSA-N 2 2 272.436 3.008 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453603640 394255281 /nfs/dbraw/zinc/25/52/81/394255281.db2.gz IQXKYNWBPWDYAY-QGZVFWFLSA-N 2 2 258.409 3.491 20 0 CGADLP CC(C)[N@H+](Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667506830 542882235 /nfs/dbraw/zinc/88/22/35/542882235.db2.gz ONLMLNMOGVLRFF-UHFFFAOYSA-N 2 2 275.421 3.301 20 0 CGADLP CC(C)[N@@H+](Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667506830 542882238 /nfs/dbraw/zinc/88/22/38/542882238.db2.gz ONLMLNMOGVLRFF-UHFFFAOYSA-N 2 2 275.421 3.301 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3C)C2)n1C ZINC000667571361 542892442 /nfs/dbraw/zinc/89/24/42/542892442.db2.gz UGMRGNABLITXLF-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccccc3C)C2)n1C ZINC000667571361 542892444 /nfs/dbraw/zinc/89/24/44/542892444.db2.gz UGMRGNABLITXLF-HNNXBMFYSA-N 2 2 269.392 3.026 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(C)c1 ZINC000667570838 542892499 /nfs/dbraw/zinc/89/24/99/542892499.db2.gz IUKOTMRKDUZUNZ-UHFFFAOYSA-N 2 2 290.451 3.356 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H](C3CC3)C1)CCCC2 ZINC000367438683 285582494 /nfs/dbraw/zinc/58/24/94/285582494.db2.gz OPSAGHONIDVGAB-CABCVRRESA-N 2 2 273.424 3.278 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]2CCCC[C@H]12 ZINC000667531885 542884471 /nfs/dbraw/zinc/88/44/71/542884471.db2.gz UKDAKJIUBVDZMN-FVQBIDKESA-N 2 2 273.424 3.230 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]2CCCC[C@H]12 ZINC000667531885 542884474 /nfs/dbraw/zinc/88/44/74/542884474.db2.gz UKDAKJIUBVDZMN-FVQBIDKESA-N 2 2 273.424 3.230 20 0 CGADLP c1cc(C[NH+]2C3CCCC2CCC3)n(-c2cc[nH+]cc2)n1 ZINC000667671654 542914727 /nfs/dbraw/zinc/91/47/27/542914727.db2.gz XYLQKOLRTCWTKD-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705613 542921158 /nfs/dbraw/zinc/92/11/58/542921158.db2.gz HLXFUWKKQPVSEK-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705613 542921162 /nfs/dbraw/zinc/92/11/62/542921162.db2.gz HLXFUWKKQPVSEK-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705613 542921165 /nfs/dbraw/zinc/92/11/65/542921165.db2.gz HLXFUWKKQPVSEK-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)CC[C@@H]21 ZINC000667705613 542921169 /nfs/dbraw/zinc/92/11/69/542921169.db2.gz HLXFUWKKQPVSEK-FZMZJTMJSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[nH]c2c1 ZINC000667947287 542948236 /nfs/dbraw/zinc/94/82/36/542948236.db2.gz LMRMDGORPMTWKQ-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[nH]c2c1 ZINC000667947287 542948240 /nfs/dbraw/zinc/94/82/40/542948240.db2.gz LMRMDGORPMTWKQ-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)[nH]c2c1 ZINC000667947287 542948242 /nfs/dbraw/zinc/94/82/42/542948242.db2.gz LMRMDGORPMTWKQ-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)[nH]c2c1 ZINC000667947287 542948244 /nfs/dbraw/zinc/94/82/44/542948244.db2.gz LMRMDGORPMTWKQ-KSSFIOAISA-N 2 2 283.419 3.002 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)n1C ZINC000667960319 542950315 /nfs/dbraw/zinc/95/03/15/542950315.db2.gz JVQYTAMUNNGUQJ-DVQDXYAYSA-N 2 2 281.403 3.406 20 0 CGADLP CCN(CCC[NH+](CC)CC)Cc1[nH+]ccn1C(C)C ZINC000668164761 542978372 /nfs/dbraw/zinc/97/83/72/542978372.db2.gz DQXUUURJAJJLFS-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC(C)C[C@]1(C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668208992 542989293 /nfs/dbraw/zinc/98/92/93/542989293.db2.gz PTZJPRWXKOTNAC-INIZCTEOSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)C[C@]1(C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668208992 542989295 /nfs/dbraw/zinc/98/92/95/542989295.db2.gz PTZJPRWXKOTNAC-INIZCTEOSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000668241164 542997729 /nfs/dbraw/zinc/99/77/29/542997729.db2.gz CXGMUISPPBOGIK-GJZGRUSLSA-N 2 2 263.429 3.375 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000668241164 542997731 /nfs/dbraw/zinc/99/77/31/542997731.db2.gz CXGMUISPPBOGIK-GJZGRUSLSA-N 2 2 263.429 3.375 20 0 CGADLP C[N@H+](CC1C[NH+](C)C1)CC1CCC(C(C)(C)C)CC1 ZINC000668538764 543025223 /nfs/dbraw/zinc/02/52/23/543025223.db2.gz BYMBJBYIXPOZAO-UHFFFAOYSA-N 2 2 266.473 3.332 20 0 CGADLP C[N@@H+](CC1C[NH+](C)C1)CC1CCC(C(C)(C)C)CC1 ZINC000668538764 543025224 /nfs/dbraw/zinc/02/52/24/543025224.db2.gz BYMBJBYIXPOZAO-UHFFFAOYSA-N 2 2 266.473 3.332 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@@]2(C)CC2(F)F)c[nH+]1 ZINC000668583358 543030593 /nfs/dbraw/zinc/03/05/93/543030593.db2.gz FSIGPADUDDBYHM-AWEZNQCLSA-N 2 2 268.351 3.348 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683340 543044672 /nfs/dbraw/zinc/04/46/72/543044672.db2.gz VLCRYCSCCLYVJK-BLLLJJGKSA-N 2 2 282.378 3.142 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000668683340 543044674 /nfs/dbraw/zinc/04/46/74/543044674.db2.gz VLCRYCSCCLYVJK-BLLLJJGKSA-N 2 2 282.378 3.142 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCc2ccccc21 ZINC000668755746 543056776 /nfs/dbraw/zinc/05/67/76/543056776.db2.gz LPSXACXNPIEWMI-MRXNPFEDSA-N 2 2 291.398 3.496 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCc2ccccc21 ZINC000668755746 543056778 /nfs/dbraw/zinc/05/67/78/543056778.db2.gz LPSXACXNPIEWMI-MRXNPFEDSA-N 2 2 291.398 3.496 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194918 543162323 /nfs/dbraw/zinc/16/23/23/543162323.db2.gz ZPZYJELEQQNEOV-PTNGSMBKSA-N 2 2 281.403 3.413 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000674005790 543262069 /nfs/dbraw/zinc/26/20/69/543262069.db2.gz NFQRLSFGTPTCMW-NVXWUHKLSA-N 2 2 285.366 3.347 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000674005790 543262070 /nfs/dbraw/zinc/26/20/70/543262070.db2.gz NFQRLSFGTPTCMW-NVXWUHKLSA-N 2 2 285.366 3.347 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044683861 397619668 /nfs/dbraw/zinc/61/96/68/397619668.db2.gz MKXRSUSILJDHQJ-LBPRGKRZSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044683861 397619669 /nfs/dbraw/zinc/61/96/69/397619669.db2.gz MKXRSUSILJDHQJ-LBPRGKRZSA-N 2 2 284.325 3.032 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000649820229 397728386 /nfs/dbraw/zinc/72/83/86/397728386.db2.gz WTKRQDIVHRJLPY-UHFFFAOYSA-N 2 2 297.402 3.458 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352902470 397686158 /nfs/dbraw/zinc/68/61/58/397686158.db2.gz SEYJIFRFJGMBHR-COXVUDFISA-N 2 2 258.409 3.210 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000352902470 397686159 /nfs/dbraw/zinc/68/61/59/397686159.db2.gz SEYJIFRFJGMBHR-COXVUDFISA-N 2 2 258.409 3.210 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000390911229 397692624 /nfs/dbraw/zinc/69/26/24/397692624.db2.gz YBSNDNNLLXUSKB-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000390911229 397692625 /nfs/dbraw/zinc/69/26/25/397692625.db2.gz YBSNDNNLLXUSKB-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763634 543361531 /nfs/dbraw/zinc/36/15/31/543361531.db2.gz SVMSVUXDQWZMIV-OXJNMPFZSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000675763634 543361533 /nfs/dbraw/zinc/36/15/33/543361533.db2.gz SVMSVUXDQWZMIV-OXJNMPFZSA-N 2 2 294.442 3.436 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000675833193 543367418 /nfs/dbraw/zinc/36/74/18/543367418.db2.gz GZUFOSFRPQSUDZ-MAUKXSAKSA-N 2 2 284.447 3.483 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000675833193 543367419 /nfs/dbraw/zinc/36/74/19/543367419.db2.gz GZUFOSFRPQSUDZ-MAUKXSAKSA-N 2 2 284.447 3.483 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000675834747 543368655 /nfs/dbraw/zinc/36/86/55/543368655.db2.gz ZFAYZRYMYINBFE-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000675834747 543368656 /nfs/dbraw/zinc/36/86/56/543368656.db2.gz ZFAYZRYMYINBFE-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905921 543372619 /nfs/dbraw/zinc/37/26/19/543372619.db2.gz GOMGOEYLMYCLHL-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000675905921 543372621 /nfs/dbraw/zinc/37/26/21/543372621.db2.gz GOMGOEYLMYCLHL-VDERGJSUSA-N 2 2 250.430 3.028 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C ZINC000677152955 543437807 /nfs/dbraw/zinc/43/78/07/543437807.db2.gz KIUOLXVEDOJLDX-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C ZINC000677152955 543437810 /nfs/dbraw/zinc/43/78/10/543437810.db2.gz KIUOLXVEDOJLDX-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP CC[C@@H](COC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806968 543466782 /nfs/dbraw/zinc/46/67/82/543466782.db2.gz WKEZGBVQBZXQER-DLBZAZTESA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](COC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806968 543466784 /nfs/dbraw/zinc/46/67/84/543466784.db2.gz WKEZGBVQBZXQER-DLBZAZTESA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000678210691 543493614 /nfs/dbraw/zinc/49/36/14/543493614.db2.gz SALFWAAYKLXYAR-OAHLLOKOSA-N 2 2 255.365 3.451 20 0 CGADLP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000678210691 543493616 /nfs/dbraw/zinc/49/36/16/543493616.db2.gz SALFWAAYKLXYAR-OAHLLOKOSA-N 2 2 255.365 3.451 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000678225315 543496292 /nfs/dbraw/zinc/49/62/92/543496292.db2.gz DPPCCWWXDAVGBH-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cc(C)ccc1OC ZINC000678542032 543534208 /nfs/dbraw/zinc/53/42/08/543534208.db2.gz BLVJRHFEPINLRN-ZBFHGGJFSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cc(C)ccc1OC ZINC000678542032 543534211 /nfs/dbraw/zinc/53/42/11/543534211.db2.gz BLVJRHFEPINLRN-ZBFHGGJFSA-N 2 2 276.424 3.139 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000678592434 543539373 /nfs/dbraw/zinc/53/93/73/543539373.db2.gz DFGMCQQAKYFMOF-HZPDHXFCSA-N 2 2 290.476 3.135 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000678592434 543539375 /nfs/dbraw/zinc/53/93/75/543539375.db2.gz DFGMCQQAKYFMOF-HZPDHXFCSA-N 2 2 290.476 3.135 20 0 CGADLP Cc1cc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)ccc1F ZINC000678683446 543549165 /nfs/dbraw/zinc/54/91/65/543549165.db2.gz HJDCIEBHOWADIL-KRWDZBQOSA-N 2 2 276.399 3.271 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000554091132 289257631 /nfs/dbraw/zinc/25/76/31/289257631.db2.gz CLIGEMXPBZDZMW-HUUCEWRRSA-N 2 2 266.816 3.127 20 0 CGADLP COCC1(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318556 292232941 /nfs/dbraw/zinc/23/29/41/292232941.db2.gz NHLPPDHQZPDQSP-BBWFWOEESA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318556 292232944 /nfs/dbraw/zinc/23/29/44/292232944.db2.gz NHLPPDHQZPDQSP-BBWFWOEESA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[NH+]2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318556 292232946 /nfs/dbraw/zinc/23/29/46/292232946.db2.gz NHLPPDHQZPDQSP-BBWFWOEESA-N 2 2 294.483 3.140 20 0 CGADLP COCC1(C[NH+]2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000361318556 292232949 /nfs/dbraw/zinc/23/29/49/292232949.db2.gz NHLPPDHQZPDQSP-BBWFWOEESA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cscn1 ZINC000535777634 288461624 /nfs/dbraw/zinc/46/16/24/288461624.db2.gz KDPPFUCEQXHXPP-LBPRGKRZSA-N 2 2 279.453 3.201 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423354962 286722988 /nfs/dbraw/zinc/72/29/88/286722988.db2.gz DITWNQMBLPFPOX-KCQAQPDRSA-N 2 2 278.465 3.447 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337505939 287013950 /nfs/dbraw/zinc/01/39/50/287013950.db2.gz FJPCCWIJVCAPJG-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337505939 287013951 /nfs/dbraw/zinc/01/39/51/287013951.db2.gz FJPCCWIJVCAPJG-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC000077249132 287038516 /nfs/dbraw/zinc/03/85/16/287038516.db2.gz RDYRNTONVWAPLC-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC000077249132 287038517 /nfs/dbraw/zinc/03/85/17/287038517.db2.gz RDYRNTONVWAPLC-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075835932 165107070 /nfs/dbraw/zinc/10/70/70/165107070.db2.gz XCAJNKWBPKTQRM-HNNXBMFYSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000075835932 165107075 /nfs/dbraw/zinc/10/70/75/165107075.db2.gz XCAJNKWBPKTQRM-HNNXBMFYSA-N 2 2 293.842 3.043 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087758313 165190178 /nfs/dbraw/zinc/19/01/78/165190178.db2.gz ULPNGHCPUOOAAB-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087758313 165190180 /nfs/dbraw/zinc/19/01/80/165190180.db2.gz ULPNGHCPUOOAAB-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CC2)n1-c1ccccc1 ZINC000092128788 165281912 /nfs/dbraw/zinc/28/19/12/165281912.db2.gz CPUBWLQYFKLQIB-GFCCVEGCSA-N 2 2 255.365 3.069 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000092740693 165312294 /nfs/dbraw/zinc/31/22/94/165312294.db2.gz WLVAAGDXVNKAKD-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341312 165349674 /nfs/dbraw/zinc/34/96/74/165349674.db2.gz ZKMZGRRUWSBQLZ-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341312 165349675 /nfs/dbraw/zinc/34/96/75/165349675.db2.gz ZKMZGRRUWSBQLZ-RNCFNFMXSA-N 2 2 273.207 3.163 20 0 CGADLP CC(C)Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000094896136 165395795 /nfs/dbraw/zinc/39/57/95/165395795.db2.gz QUPVTINCITUIHE-HNNXBMFYSA-N 2 2 271.408 3.260 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000116382027 287157167 /nfs/dbraw/zinc/15/71/67/287157167.db2.gz CRKOODWODJIDNT-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000116382027 287157171 /nfs/dbraw/zinc/15/71/71/287157171.db2.gz CRKOODWODJIDNT-IAGOWNOFSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000118952767 287162644 /nfs/dbraw/zinc/16/26/44/287162644.db2.gz VWLYXQBILUWNTE-UHFFFAOYSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000124503913 287234169 /nfs/dbraw/zinc/23/41/69/287234169.db2.gz KBZFQKUWCSJLIL-NXEZZACHSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000124503913 287234170 /nfs/dbraw/zinc/23/41/70/287234170.db2.gz KBZFQKUWCSJLIL-NXEZZACHSA-N 2 2 273.207 3.305 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000125256584 287241637 /nfs/dbraw/zinc/24/16/37/287241637.db2.gz SUABHONGOMWXEE-SNAWJCMRSA-N 2 2 276.399 3.255 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000125256584 287241638 /nfs/dbraw/zinc/24/16/38/287241638.db2.gz SUABHONGOMWXEE-SNAWJCMRSA-N 2 2 276.399 3.255 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000020126832 171011302 /nfs/dbraw/zinc/01/13/02/171011302.db2.gz KNGPZTZSCYNHCD-GFCCVEGCSA-N 2 2 286.341 3.452 20 0 CGADLP CC(C)OCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020198389 171062320 /nfs/dbraw/zinc/06/23/20/171062320.db2.gz LBRWTRSSMZYTHT-HNNXBMFYSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1F ZINC000035224258 172068806 /nfs/dbraw/zinc/06/88/06/172068806.db2.gz GLYMEVDCWZERRS-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1F ZINC000035224258 172068807 /nfs/dbraw/zinc/06/88/07/172068807.db2.gz GLYMEVDCWZERRS-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC000126489012 287266074 /nfs/dbraw/zinc/26/60/74/287266074.db2.gz NPIRNVBXDXGXLD-KRWDZBQOSA-N 2 2 292.854 3.273 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000037233256 173052373 /nfs/dbraw/zinc/05/23/73/173052373.db2.gz YBOABCUVHONODB-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000040591970 174347366 /nfs/dbraw/zinc/34/73/66/174347366.db2.gz BDOWMYQCADBFBT-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000040591970 174347367 /nfs/dbraw/zinc/34/73/67/174347367.db2.gz BDOWMYQCADBFBT-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129223056 287327001 /nfs/dbraw/zinc/32/70/01/287327001.db2.gz LFHRYXRDXOJGAF-JKSUJKDBSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)[C@H]1CC[NH3+] ZINC000404413540 416555474 /nfs/dbraw/zinc/55/54/74/416555474.db2.gz DZLDHWRMMKDOPZ-BONVTDFDSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)[C@H]1CC[NH3+] ZINC000404413540 416555478 /nfs/dbraw/zinc/55/54/78/416555478.db2.gz DZLDHWRMMKDOPZ-BONVTDFDSA-N 2 2 286.341 3.053 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129824 416496117 /nfs/dbraw/zinc/49/61/17/416496117.db2.gz AGDCTYMWFMOSSI-NWDGAFQWSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129824 416496126 /nfs/dbraw/zinc/49/61/26/416496126.db2.gz AGDCTYMWFMOSSI-NWDGAFQWSA-N 2 2 266.351 3.037 20 0 CGADLP Fc1cccc(CCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000679316906 543616599 /nfs/dbraw/zinc/61/65/99/543616599.db2.gz OSVRFSMVOKYSMJ-QGZVFWFLSA-N 2 2 287.382 3.292 20 0 CGADLP Fc1cccc(CCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000679316906 543616601 /nfs/dbraw/zinc/61/66/01/543616601.db2.gz OSVRFSMVOKYSMJ-QGZVFWFLSA-N 2 2 287.382 3.292 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340510 543700543 /nfs/dbraw/zinc/70/05/43/543700543.db2.gz JICVNCRUFLAPFO-PBHICJAKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCCC1 ZINC000680340510 543700547 /nfs/dbraw/zinc/70/05/47/543700547.db2.gz JICVNCRUFLAPFO-PBHICJAKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130597043 287358941 /nfs/dbraw/zinc/35/89/41/287358941.db2.gz HSSWBDRJWIOYGC-KUHUBIRLSA-N 2 2 291.398 3.400 20 0 CGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1nccs1 ZINC000681369431 543784132 /nfs/dbraw/zinc/78/41/32/543784132.db2.gz QLEUFSUAPXLWLF-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP c1c[nH+]c(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)[nH]1 ZINC000682068880 543818578 /nfs/dbraw/zinc/81/85/78/543818578.db2.gz HGWPTNUEYPHFKH-MRXNPFEDSA-N 2 2 267.376 3.277 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130649059 287360346 /nfs/dbraw/zinc/36/03/46/287360346.db2.gz JLVZZEBIYRQVHF-SFHVURJKSA-N 2 2 291.398 3.462 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000682157292 543831601 /nfs/dbraw/zinc/83/16/01/543831601.db2.gz ZKEFITTZXHLCEV-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000682157292 543831603 /nfs/dbraw/zinc/83/16/03/543831603.db2.gz ZKEFITTZXHLCEV-WFASDCNBSA-N 2 2 266.816 3.127 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000131023350 287368583 /nfs/dbraw/zinc/36/85/83/287368583.db2.gz QHSMXWALXTVEQG-RBSFLKMASA-N 2 2 290.451 3.260 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000131023350 287368584 /nfs/dbraw/zinc/36/85/84/287368584.db2.gz QHSMXWALXTVEQG-RBSFLKMASA-N 2 2 290.451 3.260 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000682733258 543863256 /nfs/dbraw/zinc/86/32/56/543863256.db2.gz VXHLNDKWCQBEFI-ZDUSSCGKSA-N 2 2 285.382 3.467 20 0 CGADLP c1cn(CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000131840514 287390814 /nfs/dbraw/zinc/39/08/14/287390814.db2.gz DNBPWEDULJAPLG-KRWDZBQOSA-N 2 2 267.376 3.035 20 0 CGADLP c1cn(CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c[nH+]1 ZINC000131840514 287390815 /nfs/dbraw/zinc/39/08/15/287390815.db2.gz DNBPWEDULJAPLG-KRWDZBQOSA-N 2 2 267.376 3.035 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000685470829 544078318 /nfs/dbraw/zinc/07/83/18/544078318.db2.gz VAJGRVJSADHCME-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000685470829 544078320 /nfs/dbraw/zinc/07/83/20/544078320.db2.gz VAJGRVJSADHCME-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000685470829 544078323 /nfs/dbraw/zinc/07/83/23/544078323.db2.gz VAJGRVJSADHCME-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000685470829 544078324 /nfs/dbraw/zinc/07/83/24/544078324.db2.gz VAJGRVJSADHCME-HIFRSBDPSA-N 2 2 293.480 3.012 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCCc3cccnc32)[nH+]c1 ZINC000684955823 544044278 /nfs/dbraw/zinc/04/42/78/544044278.db2.gz UIIRDSGGOCJGOP-INIZCTEOSA-N 2 2 296.418 3.336 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000664365535 418943034 /nfs/dbraw/zinc/94/30/34/418943034.db2.gz ZXOODHJNWDKNBQ-GOSISDBHSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664365535 418943037 /nfs/dbraw/zinc/94/30/37/418943037.db2.gz ZXOODHJNWDKNBQ-GOSISDBHSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652309558 418951056 /nfs/dbraw/zinc/95/10/56/418951056.db2.gz CPGGXHMWZBYZKK-HNNXBMFYSA-N 2 2 299.418 3.076 20 0 CGADLP Cc1cccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000664631032 418989185 /nfs/dbraw/zinc/98/91/85/418989185.db2.gz IJKRMSZLIPGFAD-INIZCTEOSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1cccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000664631032 418989188 /nfs/dbraw/zinc/98/91/88/418989188.db2.gz IJKRMSZLIPGFAD-INIZCTEOSA-N 2 2 267.376 3.076 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000660129278 419083374 /nfs/dbraw/zinc/08/33/74/419083374.db2.gz POGQSJYJOQPGKV-LSDHHAIUSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000660129278 419083378 /nfs/dbraw/zinc/08/33/78/419083378.db2.gz POGQSJYJOQPGKV-LSDHHAIUSA-N 2 2 275.440 3.426 20 0 CGADLP [NH3+]C1(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CCCC1 ZINC000665248389 419093090 /nfs/dbraw/zinc/09/30/90/419093090.db2.gz WDZKUAHOEBELEZ-QGZVFWFLSA-N 2 2 299.393 3.171 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253307 419094416 /nfs/dbraw/zinc/09/44/16/419094416.db2.gz NIFIJPRYUASPMV-MCPWVCTESA-N 2 2 294.389 3.189 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655776318 419094472 /nfs/dbraw/zinc/09/44/72/419094472.db2.gz HFLHXXOYJFVQCJ-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258620 419095609 /nfs/dbraw/zinc/09/56/09/419095609.db2.gz GOPCADBOHILXHU-OAGGEKHMSA-N 2 2 276.399 3.049 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)ccc2c1 ZINC000665277283 419099806 /nfs/dbraw/zinc/09/98/06/419099806.db2.gz YHFVJCWVVLVRBK-VFPJAPOESA-N 2 2 296.414 3.251 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000665276962 419099839 /nfs/dbraw/zinc/09/98/39/419099839.db2.gz QFPPTRYFJFTRMU-WPBUFGDCSA-N 2 2 264.800 3.133 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccoc1 ZINC000665280074 419100740 /nfs/dbraw/zinc/10/07/40/419100740.db2.gz SGLABIAATPJOHC-SIWZUTFBSA-N 2 2 262.397 3.099 20 0 CGADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC=CC1 ZINC000655814684 419104478 /nfs/dbraw/zinc/10/44/78/419104478.db2.gz PFWNHPPYNZTLQQ-UHFFFAOYSA-N 2 2 259.378 3.132 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)[C@@H]1CCCCO1 ZINC000655857259 419124912 /nfs/dbraw/zinc/12/49/12/419124912.db2.gz UMBMYZYKMUFEHI-CVEARBPZSA-N 2 2 287.407 3.080 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000665288496 419107618 /nfs/dbraw/zinc/10/76/18/419107618.db2.gz PDICSZBCCGURPB-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](C4CCC4)C3)cc2)c[nH+]1 ZINC000665288496 419107622 /nfs/dbraw/zinc/10/76/22/419107622.db2.gz PDICSZBCCGURPB-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660237808 419108127 /nfs/dbraw/zinc/10/81/27/419108127.db2.gz HQMHIXUQIFUIMR-IIAWOOMASA-N 2 2 285.391 3.090 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000655843678 419115869 /nfs/dbraw/zinc/11/58/69/419115869.db2.gz UZLPYBMJJDKFBR-CQSZACIVSA-N 2 2 289.423 3.184 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655848247 419117931 /nfs/dbraw/zinc/11/79/31/419117931.db2.gz CDQICLVGSUEPLT-PFSRBDOWSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655848247 419117935 /nfs/dbraw/zinc/11/79/35/419117935.db2.gz CDQICLVGSUEPLT-PFSRBDOWSA-N 2 2 286.410 3.417 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655856085 419123263 /nfs/dbraw/zinc/12/32/63/419123263.db2.gz JXMRSYKXINYQGU-HOTGVXAUSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655856085 419123265 /nfs/dbraw/zinc/12/32/65/419123265.db2.gz JXMRSYKXINYQGU-HOTGVXAUSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000655680964 419063665 /nfs/dbraw/zinc/06/36/65/419063665.db2.gz VRTNXVMEDCTOAY-PVAVHDDUSA-N 2 2 292.492 3.033 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000655688149 419064894 /nfs/dbraw/zinc/06/48/94/419064894.db2.gz NFWFVMOSDQBJSD-GOEBONIOSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000653690279 419071644 /nfs/dbraw/zinc/07/16/44/419071644.db2.gz IQLYKOALMKGZJC-INIZCTEOSA-N 2 2 292.467 3.062 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000653690279 419071646 /nfs/dbraw/zinc/07/16/46/419071646.db2.gz IQLYKOALMKGZJC-INIZCTEOSA-N 2 2 292.467 3.062 20 0 CGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708285 419072877 /nfs/dbraw/zinc/07/28/77/419072877.db2.gz MOTKYTZUJSNQNU-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728905 419079846 /nfs/dbraw/zinc/07/98/46/419079846.db2.gz ZZZYTRVZSMAGRT-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728778 419079853 /nfs/dbraw/zinc/07/98/53/419079853.db2.gz CMWOCAOTKWYENC-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000656211847 419152047 /nfs/dbraw/zinc/15/20/47/419152047.db2.gz NQMPEBDSFRSFNP-VDISTLRHSA-N 2 2 273.355 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)c1O ZINC000656279622 419165091 /nfs/dbraw/zinc/16/50/91/419165091.db2.gz YGOMJTYTNFOWFE-IAGOWNOFSA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(C)c1O ZINC000656279622 419165095 /nfs/dbraw/zinc/16/50/95/419165095.db2.gz YGOMJTYTNFOWFE-IAGOWNOFSA-N 2 2 288.435 3.116 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000656278284 419165224 /nfs/dbraw/zinc/16/52/24/419165224.db2.gz QMGKYFSZOUCUQA-RTBURBONSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000656278284 419165228 /nfs/dbraw/zinc/16/52/28/419165228.db2.gz QMGKYFSZOUCUQA-RTBURBONSA-N 2 2 284.447 3.008 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C(C)C)cc2)n1C ZINC000657291577 419244067 /nfs/dbraw/zinc/24/40/67/419244067.db2.gz XXLPRZCRGNXROU-UHFFFAOYSA-N 2 2 271.408 3.184 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]CCCCn3cc[nH+]c3)cc21 ZINC000657323300 419250921 /nfs/dbraw/zinc/25/09/21/419250921.db2.gz AFICRCRBDOEYRN-UHFFFAOYSA-N 2 2 282.391 3.243 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657335265 419253939 /nfs/dbraw/zinc/25/39/39/419253939.db2.gz BKDIBWMZEQBSKV-UHFFFAOYSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000657389760 419267227 /nfs/dbraw/zinc/26/72/27/419267227.db2.gz NRRVVNKLOHKZQF-BBRMVZONSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)[nH]c2c1 ZINC000657389760 419267229 /nfs/dbraw/zinc/26/72/29/419267229.db2.gz NRRVVNKLOHKZQF-BBRMVZONSA-N 2 2 283.419 3.191 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000656675828 419197784 /nfs/dbraw/zinc/19/77/84/419197784.db2.gz JESTVWCPDMZSQM-NHYWBVRUSA-N 2 2 294.389 3.415 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000656675828 419197786 /nfs/dbraw/zinc/19/77/86/419197786.db2.gz JESTVWCPDMZSQM-NHYWBVRUSA-N 2 2 294.389 3.415 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676575 419197820 /nfs/dbraw/zinc/19/78/20/419197820.db2.gz OIXBJSMTLJBDDQ-IUODEOHRSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(F)c1 ZINC000656676575 419197822 /nfs/dbraw/zinc/19/78/22/419197822.db2.gz OIXBJSMTLJBDDQ-IUODEOHRSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000657285983 419242318 /nfs/dbraw/zinc/24/23/18/419242318.db2.gz KBVPJCCPOXAMDJ-RRFJBIMHSA-N 2 2 294.464 3.042 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H](c1ccccc1)C1CC1)CCC2 ZINC000657472839 419286048 /nfs/dbraw/zinc/28/60/48/419286048.db2.gz AUEQBCFUMMSOSC-KRWDZBQOSA-N 2 2 281.403 3.113 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525525 419296708 /nfs/dbraw/zinc/29/67/08/419296708.db2.gz RVHWVVUFWZUIJM-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525525 419296711 /nfs/dbraw/zinc/29/67/11/419296711.db2.gz RVHWVVUFWZUIJM-MRXNPFEDSA-N 2 2 290.451 3.436 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853503 419305960 /nfs/dbraw/zinc/30/59/60/419305960.db2.gz TVMFNFYALVFPNN-CVEARBPZSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853503 419305961 /nfs/dbraw/zinc/30/59/61/419305961.db2.gz TVMFNFYALVFPNN-CVEARBPZSA-N 2 2 299.418 3.180 20 0 CGADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2c(C)cccn12)C1CC1 ZINC000657687607 419328322 /nfs/dbraw/zinc/32/83/22/419328322.db2.gz IXTSDTIAGZRPLH-MRXNPFEDSA-N 2 2 257.381 3.311 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000657741051 419335006 /nfs/dbraw/zinc/33/50/06/419335006.db2.gz ATJKZPMBHDAKIF-NQHOJNORSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000657741051 419335009 /nfs/dbraw/zinc/33/50/09/419335009.db2.gz ATJKZPMBHDAKIF-NQHOJNORSA-N 2 2 280.362 3.052 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000657757906 419338502 /nfs/dbraw/zinc/33/85/02/419338502.db2.gz XITNOGMHUMJOSN-OAHLLOKOSA-N 2 2 275.421 3.458 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887172 419407202 /nfs/dbraw/zinc/40/72/02/419407202.db2.gz FMMKYPCHJAAWCS-GMXVVIOVSA-N 2 2 283.366 3.153 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657887172 419407213 /nfs/dbraw/zinc/40/72/13/419407213.db2.gz FMMKYPCHJAAWCS-GMXVVIOVSA-N 2 2 283.366 3.153 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCCSCC1 ZINC000657823434 419372848 /nfs/dbraw/zinc/37/28/48/419372848.db2.gz GFLHNYRQTLPXGS-CQSZACIVSA-N 2 2 289.448 3.220 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C(C)(C)C(F)F ZINC000657827892 419375578 /nfs/dbraw/zinc/37/55/78/419375578.db2.gz ORHHBHQLYNFXOR-LBPRGKRZSA-N 2 2 262.388 3.132 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(F)F)nc1 ZINC000657829243 419377836 /nfs/dbraw/zinc/37/78/36/419377836.db2.gz BNQJTQAHIWRDQI-LLVKDONJSA-N 2 2 295.377 3.297 20 0 CGADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000657843846 419382886 /nfs/dbraw/zinc/38/28/86/419382886.db2.gz KDPAMAGLDQUXOY-ILXRZTDVSA-N 2 2 261.413 3.078 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293894 419384844 /nfs/dbraw/zinc/38/48/44/419384844.db2.gz XHSSCLPHMYYQIC-SECBINFHSA-N 2 2 258.768 3.209 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293894 419384847 /nfs/dbraw/zinc/38/48/47/419384847.db2.gz XHSSCLPHMYYQIC-SECBINFHSA-N 2 2 258.768 3.209 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCOc1ccc2ccccc2c1 ZINC000662303669 419387101 /nfs/dbraw/zinc/38/71/01/419387101.db2.gz DVJQBOYRKXIXIH-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2CCCOc1ccc2ccccc2c1 ZINC000662303669 419387105 /nfs/dbraw/zinc/38/71/05/419387105.db2.gz DVJQBOYRKXIXIH-UHFFFAOYSA-N 2 2 296.414 3.032 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657951749 419458786 /nfs/dbraw/zinc/45/87/86/419458786.db2.gz FOPZQRJRXWEHSH-COPLHBTASA-N 2 2 283.366 3.010 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657951749 419458794 /nfs/dbraw/zinc/45/87/94/419458794.db2.gz FOPZQRJRXWEHSH-COPLHBTASA-N 2 2 283.366 3.010 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCSCC3)cn21 ZINC000658043941 419520927 /nfs/dbraw/zinc/52/09/27/419520927.db2.gz SMDAZZAWLZKFGY-CQSZACIVSA-N 2 2 289.448 3.061 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054652 419524790 /nfs/dbraw/zinc/52/47/90/419524790.db2.gz FWJMOSHHJYZAHF-KBPBESRZSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054652 419524795 /nfs/dbraw/zinc/52/47/95/419524795.db2.gz FWJMOSHHJYZAHF-KBPBESRZSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658056779 419525152 /nfs/dbraw/zinc/52/51/52/419525152.db2.gz LYENHHMFJXDSTD-HOCLYGCPSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000658056779 419525159 /nfs/dbraw/zinc/52/51/59/419525159.db2.gz LYENHHMFJXDSTD-HOCLYGCPSA-N 2 2 276.399 3.275 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)n1 ZINC000658054695 419525215 /nfs/dbraw/zinc/52/52/15/419525215.db2.gz GAQDBQZSQOPIGJ-UKRRQHHQSA-N 2 2 275.440 3.222 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)n1 ZINC000658054695 419525219 /nfs/dbraw/zinc/52/52/19/419525219.db2.gz GAQDBQZSQOPIGJ-UKRRQHHQSA-N 2 2 275.440 3.222 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC2 ZINC000658093246 419570831 /nfs/dbraw/zinc/57/08/31/419570831.db2.gz UBLOAKXYLOUKEO-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC2 ZINC000658093246 419570832 /nfs/dbraw/zinc/57/08/32/419570832.db2.gz UBLOAKXYLOUKEO-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096430 419571821 /nfs/dbraw/zinc/57/18/21/419571821.db2.gz PIXGCKZEGVDALG-GJZGRUSLSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000658096430 419571831 /nfs/dbraw/zinc/57/18/31/419571831.db2.gz PIXGCKZEGVDALG-GJZGRUSLSA-N 2 2 282.472 3.187 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000663512718 419640476 /nfs/dbraw/zinc/64/04/76/419640476.db2.gz HNKPYYDSMZVISF-UWVGGRQHSA-N 2 2 275.223 3.122 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000663548264 419650224 /nfs/dbraw/zinc/65/02/24/419650224.db2.gz NZDRMWMYMPPVGK-LBPRGKRZSA-N 2 2 287.329 3.161 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000658286188 419732410 /nfs/dbraw/zinc/73/24/10/419732410.db2.gz PXWTWSJIGNEGSG-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000658286188 419732417 /nfs/dbraw/zinc/73/24/17/419732417.db2.gz PXWTWSJIGNEGSG-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287291 419737452 /nfs/dbraw/zinc/73/74/52/419737452.db2.gz YSBVRSZYEPGNGC-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000658287291 419737456 /nfs/dbraw/zinc/73/74/56/419737456.db2.gz YSBVRSZYEPGNGC-HOCLYGCPSA-N 2 2 292.398 3.113 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000390585730 262223650 /nfs/dbraw/zinc/22/36/50/262223650.db2.gz MIVYCGWPIJFNDN-ZWKOTPCHSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000390585730 262223652 /nfs/dbraw/zinc/22/36/52/262223652.db2.gz MIVYCGWPIJFNDN-ZWKOTPCHSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020305986 262245332 /nfs/dbraw/zinc/24/53/32/262245332.db2.gz RAPMHUSOGITUMF-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000221778436 262296100 /nfs/dbraw/zinc/29/61/00/262296100.db2.gz IUAFWAPZPZRWOW-SIIHOXLZSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000221778436 262296103 /nfs/dbraw/zinc/29/61/03/262296103.db2.gz IUAFWAPZPZRWOW-SIIHOXLZSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221932375 262328427 /nfs/dbraw/zinc/32/84/27/262328427.db2.gz IUTGSZRQHGIACI-KQTLUZQSSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221932375 262328428 /nfs/dbraw/zinc/32/84/28/262328428.db2.gz IUTGSZRQHGIACI-KQTLUZQSSA-N 2 2 250.430 3.170 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000218955339 262339034 /nfs/dbraw/zinc/33/90/34/262339034.db2.gz LAIKXTXVJIDIRB-VXGBXAGGSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000218955339 262339036 /nfs/dbraw/zinc/33/90/36/262339036.db2.gz LAIKXTXVJIDIRB-VXGBXAGGSA-N 2 2 278.362 3.181 20 0 CGADLP Clc1cccc(C2CC([NH2+]CC[NH+]3CCCC3)C2)c1 ZINC000036843406 270028456 /nfs/dbraw/zinc/02/84/56/270028456.db2.gz SEDYHPAIVJTHID-UHFFFAOYSA-N 2 2 278.827 3.271 20 0 CGADLP COCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000045018038 270037895 /nfs/dbraw/zinc/03/78/95/270037895.db2.gz VVNHLBDBBLEDBS-INIZCTEOSA-N 2 2 282.472 3.190 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094515 270038327 /nfs/dbraw/zinc/03/83/27/270038327.db2.gz KCPUIMNYJLTSTN-HNNXBMFYSA-N 2 2 287.407 3.413 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184044635 270057094 /nfs/dbraw/zinc/05/70/94/270057094.db2.gz HARJLPVAFJWGBK-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP COCC[C@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184044635 270057095 /nfs/dbraw/zinc/05/70/95/270057095.db2.gz HARJLPVAFJWGBK-WMZOPIPTSA-N 2 2 292.467 3.158 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000223012795 270086229 /nfs/dbraw/zinc/08/62/29/270086229.db2.gz KFJBUVFTVNETLW-CYBMUJFWSA-N 2 2 268.832 3.202 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000229596457 270088509 /nfs/dbraw/zinc/08/85/09/270088509.db2.gz YXBNAHFWZMOBGC-ADEWGFFLSA-N 2 2 284.856 3.319 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000229596457 270088510 /nfs/dbraw/zinc/08/85/10/270088510.db2.gz YXBNAHFWZMOBGC-ADEWGFFLSA-N 2 2 284.856 3.319 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000250315512 270091291 /nfs/dbraw/zinc/09/12/91/270091291.db2.gz MJPHUJDJVPCTME-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000250315512 270091292 /nfs/dbraw/zinc/09/12/92/270091292.db2.gz MJPHUJDJVPCTME-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP FC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000525978456 270121508 /nfs/dbraw/zinc/12/15/08/270121508.db2.gz HCSVWFNIUAFCEH-HNNXBMFYSA-N 2 2 268.420 3.077 20 0 CGADLP FC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000525978456 270121509 /nfs/dbraw/zinc/12/15/09/270121509.db2.gz HCSVWFNIUAFCEH-HNNXBMFYSA-N 2 2 268.420 3.077 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H](C)C2 ZINC000526108443 270123100 /nfs/dbraw/zinc/12/31/00/270123100.db2.gz WOBZIGHGKCOMPK-WMLDXEAASA-N 2 2 272.436 3.302 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527219798 270126858 /nfs/dbraw/zinc/12/68/58/270126858.db2.gz MRIZDBCZGYGLBO-CQSZACIVSA-N 2 2 287.382 3.311 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753164 270134226 /nfs/dbraw/zinc/13/42/26/270134226.db2.gz PZUMSMIQHXXGCA-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753164 270134227 /nfs/dbraw/zinc/13/42/27/270134227.db2.gz PZUMSMIQHXXGCA-VRKREXBASA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527751201 270134312 /nfs/dbraw/zinc/13/43/12/270134312.db2.gz TTYINDBNSIDKBY-MAUKXSAKSA-N 2 2 270.420 3.378 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000527751201 270134313 /nfs/dbraw/zinc/13/43/13/270134313.db2.gz TTYINDBNSIDKBY-MAUKXSAKSA-N 2 2 270.420 3.378 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753165 270134477 /nfs/dbraw/zinc/13/44/77/270134477.db2.gz PZUMSMIQHXXGCA-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1C[C@H]1C ZINC000527753165 270134478 /nfs/dbraw/zinc/13/44/78/270134478.db2.gz PZUMSMIQHXXGCA-XOUADPBQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527850859 270139752 /nfs/dbraw/zinc/13/97/52/270139752.db2.gz LPSDDFBCUAANTG-UKRRQHHQSA-N 2 2 267.376 3.151 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527898651 270143038 /nfs/dbraw/zinc/14/30/38/270143038.db2.gz LKEOHLYSISRSEP-COXVUDFISA-N 2 2 288.435 3.076 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccncc1 ZINC000527997932 270149330 /nfs/dbraw/zinc/14/93/30/270149330.db2.gz BZCYNDHUTYZERE-SJORKVTESA-N 2 2 273.424 3.139 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccncc1 ZINC000527997932 270149331 /nfs/dbraw/zinc/14/93/31/270149331.db2.gz BZCYNDHUTYZERE-SJORKVTESA-N 2 2 273.424 3.139 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000528006877 270150679 /nfs/dbraw/zinc/15/06/79/270150679.db2.gz XDEAJKMLUSSPOZ-ZVZLPEGASA-N 2 2 299.418 3.335 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000528141014 270155550 /nfs/dbraw/zinc/15/55/50/270155550.db2.gz SNLNPDYPBLPUNC-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000528141014 270155551 /nfs/dbraw/zinc/15/55/51/270155551.db2.gz SNLNPDYPBLPUNC-MRXNPFEDSA-N 2 2 297.402 3.085 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423184368 274882999 /nfs/dbraw/zinc/88/29/99/274882999.db2.gz IMMWFRNZJRYDFY-RNCFNFMXSA-N 2 2 285.218 3.322 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529535026 270183179 /nfs/dbraw/zinc/18/31/79/270183179.db2.gz YDCTWMLLWPUWGK-GFCCVEGCSA-N 2 2 291.345 3.396 20 0 CGADLP CCC(C)(C)OC1C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000529641632 270186845 /nfs/dbraw/zinc/18/68/45/270186845.db2.gz ODTOAVPAVKICHB-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc2c(s1)CCC2 ZINC000530216606 270195859 /nfs/dbraw/zinc/19/58/59/270195859.db2.gz CICJCMILYBVANL-ABAIWWIYSA-N 2 2 276.449 3.172 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530222795 270196400 /nfs/dbraw/zinc/19/64/00/270196400.db2.gz RVFFPVXTUREHEE-GDBMZVCRSA-N 2 2 258.409 3.239 20 0 CGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530220410 270196434 /nfs/dbraw/zinc/19/64/34/270196434.db2.gz OALFBDTYAOVOKY-CZUORRHYSA-N 2 2 274.408 3.021 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000530223592 270196738 /nfs/dbraw/zinc/19/67/38/270196738.db2.gz NYQLYVXPSWEHKH-DZGCQCFKSA-N 2 2 293.842 3.089 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000530223592 270196739 /nfs/dbraw/zinc/19/67/39/270196739.db2.gz NYQLYVXPSWEHKH-DZGCQCFKSA-N 2 2 293.842 3.089 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224935 270196748 /nfs/dbraw/zinc/19/67/48/270196748.db2.gz WEEKYSUPSCGPRI-KBMXLJTQSA-N 2 2 270.420 3.418 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000530243940 270197317 /nfs/dbraw/zinc/19/73/17/270197317.db2.gz IWZDUKUCYBBMBW-JTQLQIEISA-N 2 2 290.354 3.141 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684605 270208680 /nfs/dbraw/zinc/20/86/80/270208680.db2.gz KSLNLUBZNOOHEM-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP CCc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000531612181 270207799 /nfs/dbraw/zinc/20/77/99/270207799.db2.gz HUEAHCROEOYYBQ-HNNXBMFYSA-N 2 2 266.429 3.298 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000531932665 270211061 /nfs/dbraw/zinc/21/10/61/270211061.db2.gz RDJMBODKRPAESJ-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCC[C@H]1C ZINC000532207742 270214393 /nfs/dbraw/zinc/21/43/93/270214393.db2.gz SQYNCCQUUKFBHN-WCVJEAGWSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCC[C@H]1C ZINC000532207742 270214394 /nfs/dbraw/zinc/21/43/94/270214394.db2.gz SQYNCCQUUKFBHN-WCVJEAGWSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000533038949 270221111 /nfs/dbraw/zinc/22/11/11/270221111.db2.gz WEDFJEQYFZBEJX-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000533038949 270221112 /nfs/dbraw/zinc/22/11/12/270221112.db2.gz WEDFJEQYFZBEJX-INIZCTEOSA-N 2 2 295.430 3.180 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000230971919 273499182 /nfs/dbraw/zinc/49/91/82/273499182.db2.gz HCAILMAAIYWULH-CYBMUJFWSA-N 2 2 264.438 3.201 20 0 CGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443426326 274334174 /nfs/dbraw/zinc/33/41/74/274334174.db2.gz JUGNYJQWYXKQRM-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000443426326 274334176 /nfs/dbraw/zinc/33/41/76/274334176.db2.gz JUGNYJQWYXKQRM-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000356676778 275068072 /nfs/dbraw/zinc/06/80/72/275068072.db2.gz CRXQOLXTIVIJTM-IXDOHACOSA-N 2 2 270.420 3.149 20 0 CGADLP c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000356676778 275068074 /nfs/dbraw/zinc/06/80/74/275068074.db2.gz CRXQOLXTIVIJTM-IXDOHACOSA-N 2 2 270.420 3.149 20 0 CGADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000423525074 275068349 /nfs/dbraw/zinc/06/83/49/275068349.db2.gz KCIWUFUCMKGZEG-XUVXKRRUSA-N 2 2 292.426 3.409 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423273743 275704120 /nfs/dbraw/zinc/70/41/20/275704120.db2.gz KZFYMJPUIMJCAK-WCQGTBRESA-N 2 2 270.467 3.246 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+]1CCCCC1 ZINC000502285446 275861038 /nfs/dbraw/zinc/86/10/38/275861038.db2.gz NYFWNBRETHWSKP-INMHGKMJSA-N 2 2 264.457 3.419 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361896540 276157584 /nfs/dbraw/zinc/15/75/84/276157584.db2.gz JRZUHYXGPBJRMR-WNRNVDISSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361896540 276157586 /nfs/dbraw/zinc/15/75/86/276157586.db2.gz JRZUHYXGPBJRMR-WNRNVDISSA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449060777 276174060 /nfs/dbraw/zinc/17/40/60/276174060.db2.gz UAIAQYSHVMQFNI-BLLLJJGKSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449060777 276174061 /nfs/dbraw/zinc/17/40/61/276174061.db2.gz UAIAQYSHVMQFNI-BLLLJJGKSA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081636962 276178928 /nfs/dbraw/zinc/17/89/28/276178928.db2.gz NMUBGZXPAUSHOK-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081636962 276178929 /nfs/dbraw/zinc/17/89/29/276178929.db2.gz NMUBGZXPAUSHOK-XHSDSOJGSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414061659 276187198 /nfs/dbraw/zinc/18/71/98/276187198.db2.gz KRKALTUDIHHWIS-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414061659 276187200 /nfs/dbraw/zinc/18/72/00/276187200.db2.gz KRKALTUDIHHWIS-GJZGRUSLSA-N 2 2 276.424 3.139 20 0 CGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000409445265 276209750 /nfs/dbraw/zinc/20/97/50/276209750.db2.gz HHZZLPVXSLSVAH-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(CC)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000409445265 276209752 /nfs/dbraw/zinc/20/97/52/276209752.db2.gz HHZZLPVXSLSVAH-MRXNPFEDSA-N 2 2 252.446 3.373 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000253128797 276379767 /nfs/dbraw/zinc/37/97/67/276379767.db2.gz UGRDVCQAICGWRP-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000253128797 276379770 /nfs/dbraw/zinc/37/97/70/276379770.db2.gz UGRDVCQAICGWRP-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081637632 276805118 /nfs/dbraw/zinc/80/51/18/276805118.db2.gz NFXAJHDYOLOWAO-HZPDHXFCSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1cccc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000302242364 287931668 /nfs/dbraw/zinc/93/16/68/287931668.db2.gz PAHQOCPTSFISQX-KCQAQPDRSA-N 2 2 261.413 3.168 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279507 277069402 /nfs/dbraw/zinc/06/94/02/277069402.db2.gz LSSLNBZXHJBLEM-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279507 277069403 /nfs/dbraw/zinc/06/94/03/277069403.db2.gz LSSLNBZXHJBLEM-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279507 277069405 /nfs/dbraw/zinc/06/94/05/277069405.db2.gz LSSLNBZXHJBLEM-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@H]21 ZINC000271279507 277069406 /nfs/dbraw/zinc/06/94/06/277069406.db2.gz LSSLNBZXHJBLEM-IEBWSBKVSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000358165684 277564202 /nfs/dbraw/zinc/56/42/02/277564202.db2.gz KIPMEAMNAYOJIW-KBPBESRZSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H]1C ZINC000367439784 277710774 /nfs/dbraw/zinc/71/07/74/277710774.db2.gz XAYWVKVUWQNDCO-UMVBOHGHSA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422758885 277904029 /nfs/dbraw/zinc/90/40/29/277904029.db2.gz JJXFQZCKMHOOJM-JTQLQIEISA-N 2 2 291.782 3.007 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178894 288006761 /nfs/dbraw/zinc/00/67/61/288006761.db2.gz MDMAPIWQQWLCHU-WMLDXEAASA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000395178894 288006763 /nfs/dbraw/zinc/00/67/63/288006763.db2.gz MDMAPIWQQWLCHU-WMLDXEAASA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCCO2 ZINC000423234905 278052215 /nfs/dbraw/zinc/05/22/15/278052215.db2.gz MMTYTLXLWMXOIK-RDJZCZTQSA-N 2 2 288.435 3.365 20 0 CGADLP C[NH+](C)C1(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000397914069 288034655 /nfs/dbraw/zinc/03/46/55/288034655.db2.gz HLTPUNDTTWXESP-UHFFFAOYSA-N 2 2 254.377 3.024 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCCC1 ZINC000423410400 278352459 /nfs/dbraw/zinc/35/24/59/278352459.db2.gz ADQWGOPTQVDRLM-DYVFJYSZSA-N 2 2 258.409 3.042 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189065636 278545415 /nfs/dbraw/zinc/54/54/15/278545415.db2.gz VSADEESYSVWMRK-HNNXBMFYSA-N 2 2 250.430 3.031 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000423307941 278841241 /nfs/dbraw/zinc/84/12/41/278841241.db2.gz IFBRGOREZVQSMG-ZDUSSCGKSA-N 2 2 266.454 3.449 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459514940 288095424 /nfs/dbraw/zinc/09/54/24/288095424.db2.gz DAACQUXCXTUJGD-KBPBESRZSA-N 2 2 263.429 3.109 20 0 CGADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459514940 288095425 /nfs/dbraw/zinc/09/54/25/288095425.db2.gz DAACQUXCXTUJGD-KBPBESRZSA-N 2 2 263.429 3.109 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423262626 279142332 /nfs/dbraw/zinc/14/23/32/279142332.db2.gz MXAOFCFGNHEZPE-MWLCHTKSSA-N 2 2 274.330 3.128 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000462669588 288102149 /nfs/dbraw/zinc/10/21/49/288102149.db2.gz STTZPKFJCSPBHN-ABHNRTSZSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCC(C(C)C)CC2)C1 ZINC000462669588 288102151 /nfs/dbraw/zinc/10/21/51/288102151.db2.gz STTZPKFJCSPBHN-ABHNRTSZSA-N 2 2 296.499 3.148 20 0 CGADLP Clc1ccc2c(c1Cl)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000262052785 279293277 /nfs/dbraw/zinc/29/32/77/279293277.db2.gz ZVZSUOHGZHODTK-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP Clc1ccc2c(c1Cl)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000262052785 279293278 /nfs/dbraw/zinc/29/32/78/279293278.db2.gz ZVZSUOHGZHODTK-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP c1cn2c(cccc2C[NH2+]CC[C@H]2CC=CCC2)[nH+]1 ZINC000527792202 288195565 /nfs/dbraw/zinc/19/55/65/288195565.db2.gz ZLYIMTZLUOPEFP-AWEZNQCLSA-N 2 2 255.365 3.170 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863080 280153274 /nfs/dbraw/zinc/15/32/74/280153274.db2.gz YUPYEMXSRDNYLD-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863080 280153277 /nfs/dbraw/zinc/15/32/77/280153277.db2.gz YUPYEMXSRDNYLD-ROUUACIJSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000368099905 280198280 /nfs/dbraw/zinc/19/82/80/280198280.db2.gz GOJVLOMGRGNJPG-UONOGXRCSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000368099905 280198281 /nfs/dbraw/zinc/19/82/81/280198281.db2.gz GOJVLOMGRGNJPG-UONOGXRCSA-N 2 2 261.413 3.216 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC000346494254 280255376 /nfs/dbraw/zinc/25/53/76/280255376.db2.gz TYJUEXXJJBHJTL-IKGGRYGDSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1C ZINC000344326774 280385856 /nfs/dbraw/zinc/38/58/56/280385856.db2.gz OAZUSIGVUFIXKY-DOTOQJQBSA-N 2 2 260.425 3.184 20 0 CGADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1C ZINC000344326774 280385857 /nfs/dbraw/zinc/38/58/57/280385857.db2.gz OAZUSIGVUFIXKY-DOTOQJQBSA-N 2 2 260.425 3.184 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCC2)o1 ZINC000427872792 280992806 /nfs/dbraw/zinc/99/28/06/280992806.db2.gz DFJONGWISPSCHC-WMLDXEAASA-N 2 2 285.391 3.230 20 0 CGADLP C(=C\Cn1cc[nH+]c1C1CC1)\Cn1cc[nH+]c1C1CC1 ZINC000530130069 288288663 /nfs/dbraw/zinc/28/86/63/288288663.db2.gz NJMSVHQVZJARLK-UPHRSURJSA-N 2 2 268.364 3.091 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@H]([NH+]4CC=CC4)C3)[nH+]c2c1 ZINC000460947511 281042486 /nfs/dbraw/zinc/04/24/86/281042486.db2.gz FYWQBULWCMECCX-MRXNPFEDSA-N 2 2 293.414 3.302 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C2 ZINC000339639318 281069911 /nfs/dbraw/zinc/06/99/11/281069911.db2.gz UPNOUCRXFHWCFB-UHFFFAOYSA-N 2 2 283.419 3.419 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)C(C)(C)C2 ZINC000339639318 281069913 /nfs/dbraw/zinc/06/99/13/281069913.db2.gz UPNOUCRXFHWCFB-UHFFFAOYSA-N 2 2 283.419 3.419 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163840463 281092029 /nfs/dbraw/zinc/09/20/29/281092029.db2.gz ZGEDKZDFLILECG-KRWDZBQOSA-N 2 2 281.403 3.469 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CCC2 ZINC000339068182 281119319 /nfs/dbraw/zinc/11/93/19/281119319.db2.gz MCMXBRGVMKQZBC-KBXCAEBGSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CCC2 ZINC000339068182 281119320 /nfs/dbraw/zinc/11/93/20/281119320.db2.gz MCMXBRGVMKQZBC-KBXCAEBGSA-N 2 2 272.436 3.445 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423178668 281135841 /nfs/dbraw/zinc/13/58/41/281135841.db2.gz CKUXXAZDYTYGKQ-BBRMVZONSA-N 2 2 258.409 3.141 20 0 CGADLP CC[C@]1(C)CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483754 281316698 /nfs/dbraw/zinc/31/66/98/281316698.db2.gz KDQCLVKYMNMJIA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450483754 281316702 /nfs/dbraw/zinc/31/67/02/281316702.db2.gz KDQCLVKYMNMJIA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450483754 281316706 /nfs/dbraw/zinc/31/67/06/281316706.db2.gz KDQCLVKYMNMJIA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@]1(C)CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450483754 281316710 /nfs/dbraw/zinc/31/67/10/281316710.db2.gz KDQCLVKYMNMJIA-JKSUJKDBSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694113 281366353 /nfs/dbraw/zinc/36/63/53/281366353.db2.gz NPJWGBUTEXIAQS-OAHLLOKOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccccc1[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694113 281366354 /nfs/dbraw/zinc/36/63/54/281366354.db2.gz NPJWGBUTEXIAQS-OAHLLOKOSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531729357 288345003 /nfs/dbraw/zinc/34/50/03/288345003.db2.gz UGYAMPOPWMUADH-GOEBONIOSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000531729357 288345006 /nfs/dbraw/zinc/34/50/06/288345006.db2.gz UGYAMPOPWMUADH-GOEBONIOSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194565 288354375 /nfs/dbraw/zinc/35/43/75/288354375.db2.gz GETDWRQOWVNRHW-YOEHRIQHSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000532194565 288354379 /nfs/dbraw/zinc/35/43/79/288354379.db2.gz GETDWRQOWVNRHW-YOEHRIQHSA-N 2 2 284.403 3.376 20 0 CGADLP C[C@@H]1COCC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442880658 288361621 /nfs/dbraw/zinc/36/16/21/288361621.db2.gz XREFQQLVDITGBP-SJORKVTESA-N 2 2 294.483 3.047 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464490 288362826 /nfs/dbraw/zinc/36/28/26/288362826.db2.gz VVZLHCIVICXOJW-CJNGLKHVSA-N 2 2 260.425 3.024 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000532464490 288362828 /nfs/dbraw/zinc/36/28/28/288362828.db2.gz VVZLHCIVICXOJW-CJNGLKHVSA-N 2 2 260.425 3.024 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000437094185 282044393 /nfs/dbraw/zinc/04/43/93/282044393.db2.gz HTUJLVCCIGSUJO-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549529299 289045756 /nfs/dbraw/zinc/04/57/56/289045756.db2.gz MNCXUQIDXAIAJZ-OHFALNGGSA-N 2 2 269.392 3.053 20 0 CGADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000550954915 289092974 /nfs/dbraw/zinc/09/29/74/289092974.db2.gz MGXRGQKFKBLIOX-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000550954915 289092977 /nfs/dbraw/zinc/09/29/77/289092977.db2.gz MGXRGQKFKBLIOX-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000552224225 289173178 /nfs/dbraw/zinc/17/31/78/289173178.db2.gz OJBZUKARWRPYNT-CVEARBPZSA-N 2 2 273.424 3.075 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000555227102 289334381 /nfs/dbraw/zinc/33/43/81/289334381.db2.gz PLRUGXSNPMYUCY-HOTGVXAUSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Cc1ccccc1 ZINC000556044920 289367915 /nfs/dbraw/zinc/36/79/15/289367915.db2.gz BESCQSRKOUPVQM-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Cc1ccccc1 ZINC000556044920 289367916 /nfs/dbraw/zinc/36/79/16/289367916.db2.gz BESCQSRKOUPVQM-LPHOPBHVSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213139 289377620 /nfs/dbraw/zinc/37/76/20/289377620.db2.gz RATBDGAUHFLWDZ-OCCSQVGLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213139 289377621 /nfs/dbraw/zinc/37/76/21/289377621.db2.gz RATBDGAUHFLWDZ-OCCSQVGLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+]1CCC(C)CC1 ZINC000187110266 289689327 /nfs/dbraw/zinc/68/93/27/289689327.db2.gz XDERSQAJAZCELG-CABCVRRESA-N 2 2 284.513 3.228 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423377343 302562108 /nfs/dbraw/zinc/56/21/08/302562108.db2.gz YQIOVLRBKRURSN-MDZLAQPJSA-N 2 2 295.496 3.398 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000043326548 302887227 /nfs/dbraw/zinc/88/72/27/302887227.db2.gz JGISSADZACGENQ-YPMHNXCESA-N 2 2 282.840 3.219 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000153130696 321714198 /nfs/dbraw/zinc/71/41/98/321714198.db2.gz IYKLCRAJJRNANE-WMZOPIPTSA-N 2 2 290.451 3.004 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)n1C ZINC000563437920 321997804 /nfs/dbraw/zinc/99/78/04/321997804.db2.gz BEVZPCDBVWNKEJ-CYBMUJFWSA-N 2 2 257.381 3.196 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563447588 321999081 /nfs/dbraw/zinc/99/90/81/321999081.db2.gz DZYWDSPSARSFGF-MNOVXSKESA-N 2 2 267.442 3.016 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000563796015 322010650 /nfs/dbraw/zinc/01/06/50/322010650.db2.gz QUZQRKOPUWLIMK-KRWDZBQOSA-N 2 2 290.357 3.317 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])o1 ZINC000563804418 322011029 /nfs/dbraw/zinc/01/10/29/322011029.db2.gz FBHHFLVNQKHMJA-FAAHXZRKSA-N 2 2 262.397 3.153 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000565638274 322084663 /nfs/dbraw/zinc/08/46/63/322084663.db2.gz BAGSPKKOLAETEN-CVEARBPZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000565638274 322084665 /nfs/dbraw/zinc/08/46/65/322084665.db2.gz BAGSPKKOLAETEN-CVEARBPZSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000565638278 322084802 /nfs/dbraw/zinc/08/48/02/322084802.db2.gz BAGSPKKOLAETEN-JKSUJKDBSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000565638278 322084804 /nfs/dbraw/zinc/08/48/04/322084804.db2.gz BAGSPKKOLAETEN-JKSUJKDBSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(CCCC[NH2+]C2CCc3ccccc3CC2)c[nH+]1 ZINC000565698992 322087505 /nfs/dbraw/zinc/08/75/05/322087505.db2.gz XVJJOXIINKDBMF-UHFFFAOYSA-N 2 2 283.419 3.201 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000565904389 322096360 /nfs/dbraw/zinc/09/63/60/322096360.db2.gz NKZOUKDRCOWFMD-YOEHRIQHSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565904389 322096361 /nfs/dbraw/zinc/09/63/61/322096361.db2.gz NKZOUKDRCOWFMD-YOEHRIQHSA-N 2 2 296.418 3.341 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(Cl)c(F)c1 ZINC000566092405 322103975 /nfs/dbraw/zinc/10/39/75/322103975.db2.gz KHIXDDBRHSSPMV-PKFCDNJMSA-N 2 2 270.779 3.128 20 0 CGADLP COc1ccc(C2([NH2+]Cc3c[nH+]c(C)n3C)CCCC2)cc1 ZINC000566498463 322126994 /nfs/dbraw/zinc/12/69/94/322126994.db2.gz BRRYRHGCSRWTBF-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)n1C ZINC000566498866 322127098 /nfs/dbraw/zinc/12/70/98/322127098.db2.gz IVWIULURQAWWBF-FUHWJXTLSA-N 2 2 283.419 3.402 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566797906 322138251 /nfs/dbraw/zinc/13/82/51/322138251.db2.gz QMBFQVUBDVLZPF-IAGOWNOFSA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566797906 322138252 /nfs/dbraw/zinc/13/82/52/322138252.db2.gz QMBFQVUBDVLZPF-IAGOWNOFSA-N 2 2 294.389 3.491 20 0 CGADLP C[C@H](CC[NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000567321372 322158504 /nfs/dbraw/zinc/15/85/04/322158504.db2.gz QJRQOSNOPNDNQZ-WBVHZDCISA-N 2 2 292.492 3.207 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033557 322188997 /nfs/dbraw/zinc/18/89/97/322188997.db2.gz QQIGAKYQYMTSCV-XJKSGUPXSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033557 322188991 /nfs/dbraw/zinc/18/89/91/322188991.db2.gz QQIGAKYQYMTSCV-XJKSGUPXSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033557 322188992 /nfs/dbraw/zinc/18/89/92/322188992.db2.gz QQIGAKYQYMTSCV-XJKSGUPXSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000568033557 322188994 /nfs/dbraw/zinc/18/89/94/322188994.db2.gz QQIGAKYQYMTSCV-XJKSGUPXSA-N 2 2 280.843 3.420 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2cccc(C)c2)n1C ZINC000568269170 322201893 /nfs/dbraw/zinc/20/18/93/322201893.db2.gz ARGRTAGHEJKUHY-UHFFFAOYSA-N 2 2 271.408 3.104 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000569376496 322245917 /nfs/dbraw/zinc/24/59/17/322245917.db2.gz ZVGYDHWAROPGQJ-MRXNPFEDSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000569634700 322252629 /nfs/dbraw/zinc/25/26/29/322252629.db2.gz YYXOWRXGIVFVQL-BEFAXECRSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000569634700 322252631 /nfs/dbraw/zinc/25/26/31/322252631.db2.gz YYXOWRXGIVFVQL-BEFAXECRSA-N 2 2 295.430 3.181 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)n1C ZINC000570740044 322281358 /nfs/dbraw/zinc/28/13/58/322281358.db2.gz HSODMSVXUJUOIH-UHFFFAOYSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[N@H+](C)C1CC1 ZINC000570797162 322282522 /nfs/dbraw/zinc/28/25/22/322282522.db2.gz PVQRGDVQFDLQIY-UHFFFAOYSA-N 2 2 255.365 3.049 20 0 CGADLP CC[NH2+]CCC[NH2+][C@@H](C)c1sccc1Br ZINC000571313151 322295543 /nfs/dbraw/zinc/29/55/43/322295543.db2.gz VVDBBZIAGWSUFB-VIFPVBQESA-N 2 2 291.258 3.161 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+](C)CCC[NH+](C)C ZINC000571448026 322299132 /nfs/dbraw/zinc/29/91/32/322299132.db2.gz OLXQOLKDZRZNIF-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+](C)CCC[NH+](C)C ZINC000571448026 322299134 /nfs/dbraw/zinc/29/91/34/322299134.db2.gz OLXQOLKDZRZNIF-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1C ZINC000571778625 322307813 /nfs/dbraw/zinc/30/78/13/322307813.db2.gz OWRBEIAJVXKRNK-DAXOMENPSA-N 2 2 263.429 3.279 20 0 CGADLP CCc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000573378468 322385039 /nfs/dbraw/zinc/38/50/39/322385039.db2.gz JKGKRGJDHGLYSH-UHFFFAOYSA-N 2 2 257.381 3.016 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000582483742 329096020 /nfs/dbraw/zinc/09/60/20/329096020.db2.gz DCIHSMPBHKYMFQ-SFHVURJKSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000582483742 329096022 /nfs/dbraw/zinc/09/60/22/329096022.db2.gz DCIHSMPBHKYMFQ-SFHVURJKSA-N 2 2 288.435 3.356 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1C ZINC000583033798 329305471 /nfs/dbraw/zinc/30/54/71/329305471.db2.gz BQXREWAEFQWNNF-GDBMZVCRSA-N 2 2 287.382 3.294 20 0 CGADLP CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000388268058 329525911 /nfs/dbraw/zinc/52/59/11/329525911.db2.gz GAUPJCVXGRHYTO-IYOUNJFTSA-N 2 2 299.418 3.336 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000577396915 335348166 /nfs/dbraw/zinc/34/81/66/335348166.db2.gz PYSBIOPFAPHOGC-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000577396915 335348168 /nfs/dbraw/zinc/34/81/68/335348168.db2.gz PYSBIOPFAPHOGC-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C[N@@H+]1C1CC1 ZINC000577634813 335383695 /nfs/dbraw/zinc/38/36/95/335383695.db2.gz ZSTBAVIVOOLGIW-LJHODMEESA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C[N@H+]1C1CC1 ZINC000577634813 335383697 /nfs/dbraw/zinc/38/36/97/335383697.db2.gz ZSTBAVIVOOLGIW-LJHODMEESA-N 2 2 284.447 3.395 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000577748256 335396797 /nfs/dbraw/zinc/39/67/97/335396797.db2.gz RGSIFPIBRNYYEC-HZPDHXFCSA-N 2 2 278.440 3.311 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577765115 335399108 /nfs/dbraw/zinc/39/91/08/335399108.db2.gz FMMWNIQKKLOPKQ-HUUCEWRRSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577765115 335399109 /nfs/dbraw/zinc/39/91/09/335399109.db2.gz FMMWNIQKKLOPKQ-HUUCEWRRSA-N 2 2 269.392 3.279 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)n1C ZINC000577769646 335399969 /nfs/dbraw/zinc/39/99/69/335399969.db2.gz RWUMGCAZKULSFA-SNVBAGLBSA-N 2 2 295.333 3.181 20 0 CGADLP Cc1cc(NCC[C@@H](C)[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000182339399 335811823 /nfs/dbraw/zinc/81/18/23/335811823.db2.gz KWROUBOZUCJWTM-CQSZACIVSA-N 2 2 288.439 3.339 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000580918813 335983783 /nfs/dbraw/zinc/98/37/83/335983783.db2.gz FXRLYZBPWWYCMP-NSHDSACASA-N 2 2 289.250 3.466 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000382814036 336097481 /nfs/dbraw/zinc/09/74/81/336097481.db2.gz VWMFSHGTVSWAGK-BJJXKVORSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000382814036 336097483 /nfs/dbraw/zinc/09/74/83/336097483.db2.gz VWMFSHGTVSWAGK-BJJXKVORSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581659000 336119262 /nfs/dbraw/zinc/11/92/62/336119262.db2.gz WNBWWTAJWPNNMS-KURKYZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581659000 336119263 /nfs/dbraw/zinc/11/92/63/336119263.db2.gz WNBWWTAJWPNNMS-KURKYZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC/C=C\C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384745013 336130177 /nfs/dbraw/zinc/13/01/77/336130177.db2.gz MQKZNJPODWGONH-ZRUQZJFASA-N 2 2 255.365 3.489 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c2cccnc12)C1(C[NH3+])CCC1 ZINC000385482013 336148680 /nfs/dbraw/zinc/14/86/80/336148680.db2.gz OANIUEHPSVQHPI-UHFFFAOYSA-N 2 2 289.810 3.201 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1(C[NH3+])CCC1 ZINC000385482013 336148681 /nfs/dbraw/zinc/14/86/81/336148681.db2.gz OANIUEHPSVQHPI-UHFFFAOYSA-N 2 2 289.810 3.201 20 0 CGADLP CSCC1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000385589802 336152339 /nfs/dbraw/zinc/15/23/39/336152339.db2.gz VLTHRSOJDCVKIA-QQFBHYJXSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449013668 533809118 /nfs/dbraw/zinc/80/91/18/533809118.db2.gz LVWGKPCFGUUNNZ-LBPRGKRZSA-N 2 2 282.378 3.094 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@H]1C ZINC000414055240 533919682 /nfs/dbraw/zinc/91/96/82/533919682.db2.gz CIFVBURFAVCEMW-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000449094909 534247312 /nfs/dbraw/zinc/24/73/12/534247312.db2.gz UXOFAOXKMMNLJN-INIZCTEOSA-N 2 2 298.430 3.465 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](OC)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422793986 517775540 /nfs/dbraw/zinc/77/55/40/517775540.db2.gz XXAPBESLYRSTFP-PMPSAXMXSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1[nH]c(CNc2ccc(C3CCC3)c[nH+]2)[nH+]c1C ZINC000584064936 518192680 /nfs/dbraw/zinc/19/26/80/518192680.db2.gz RPTIGDQTSGGLAJ-UHFFFAOYSA-N 2 2 256.353 3.301 20 0 CGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)[nH+]c1 ZINC000414193417 534495750 /nfs/dbraw/zinc/49/57/50/534495750.db2.gz MUIIDLKVIMLAPL-FUHWJXTLSA-N 2 2 299.462 3.466 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863802 521714013 /nfs/dbraw/zinc/71/40/13/521714013.db2.gz GGMWBJQCXGKDKA-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863802 521714014 /nfs/dbraw/zinc/71/40/14/521714014.db2.gz GGMWBJQCXGKDKA-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863802 521714015 /nfs/dbraw/zinc/71/40/15/521714015.db2.gz GGMWBJQCXGKDKA-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863802 521714017 /nfs/dbraw/zinc/71/40/17/521714017.db2.gz GGMWBJQCXGKDKA-MLGOLLRUSA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863800 521719985 /nfs/dbraw/zinc/71/99/85/521719985.db2.gz GGMWBJQCXGKDKA-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863800 521719987 /nfs/dbraw/zinc/71/99/87/521719987.db2.gz GGMWBJQCXGKDKA-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863800 521719988 /nfs/dbraw/zinc/71/99/88/521719988.db2.gz GGMWBJQCXGKDKA-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2F)[C@H](C)C1 ZINC000084863800 521719990 /nfs/dbraw/zinc/71/99/90/521719990.db2.gz GGMWBJQCXGKDKA-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[C@H](C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000088296590 523902637 /nfs/dbraw/zinc/90/26/37/523902637.db2.gz HRNSIUBRZNLIPU-GJZGRUSLSA-N 2 2 275.440 3.465 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164207006 524859912 /nfs/dbraw/zinc/85/99/12/524859912.db2.gz ULLJPJGRRFJSGI-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164207006 524859919 /nfs/dbraw/zinc/85/99/19/524859919.db2.gz ULLJPJGRRFJSGI-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164207121 525021960 /nfs/dbraw/zinc/02/19/60/525021960.db2.gz ULLJPJGRRFJSGI-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000164207121 525021973 /nfs/dbraw/zinc/02/19/73/525021973.db2.gz ULLJPJGRRFJSGI-PWSUYJOCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(F)c1 ZINC000094826870 525402846 /nfs/dbraw/zinc/40/28/46/525402846.db2.gz UHLCCWBEJFJHCF-LLVKDONJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc2c(c1)CCCC2 ZINC000054764715 525511231 /nfs/dbraw/zinc/51/12/31/525511231.db2.gz BIMFHWZIUJNVEG-GFCCVEGCSA-N 2 2 255.365 3.139 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000054764762 525550220 /nfs/dbraw/zinc/55/02/20/525550220.db2.gz NFIOVKPOWIIVKC-SECBINFHSA-N 2 2 269.270 3.279 20 0 CGADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104099875 526116803 /nfs/dbraw/zinc/11/68/03/526116803.db2.gz SBZHWLKFDZJLEX-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104099875 526116811 /nfs/dbraw/zinc/11/68/11/526116811.db2.gz SBZHWLKFDZJLEX-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104099875 526116820 /nfs/dbraw/zinc/11/68/20/526116820.db2.gz SBZHWLKFDZJLEX-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104099875 526116829 /nfs/dbraw/zinc/11/68/29/526116829.db2.gz SBZHWLKFDZJLEX-ZIAGYGMSSA-N 2 2 264.388 3.160 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133009 526210950 /nfs/dbraw/zinc/21/09/50/526210950.db2.gz NRLBOUYUSNABHL-MRXNPFEDSA-N 2 2 285.391 3.085 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CCS2 ZINC000054764727 526966539 /nfs/dbraw/zinc/96/65/39/526966539.db2.gz JCHGTNAPQJZRNY-LBPRGKRZSA-N 2 2 279.796 3.390 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000163911781 527191466 /nfs/dbraw/zinc/19/14/66/527191466.db2.gz WQYUMZRFLMKYII-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000163911781 527191473 /nfs/dbraw/zinc/19/14/73/527191473.db2.gz WQYUMZRFLMKYII-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437766453 528136816 /nfs/dbraw/zinc/13/68/16/528136816.db2.gz SRRCOLGNAFTWHW-QZTJIDSGSA-N 2 2 274.452 3.428 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000423374517 528312699 /nfs/dbraw/zinc/31/26/99/528312699.db2.gz XDBVESKKDKCVJZ-NWDGAFQWSA-N 2 2 267.442 3.059 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000423242170 528330749 /nfs/dbraw/zinc/33/07/49/528330749.db2.gz IREXIQNOMOWHPA-ZDUSSCGKSA-N 2 2 272.392 3.109 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423242427 528334453 /nfs/dbraw/zinc/33/44/53/528334453.db2.gz VQCQNPTYWJHFBW-GFCCVEGCSA-N 2 2 260.356 3.239 20 0 CGADLP CC(C)c1nc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000439132759 528363725 /nfs/dbraw/zinc/36/37/25/528363725.db2.gz YNYBZQPJVZVCPW-PBHICJAKSA-N 2 2 298.434 3.125 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000423390415 528422535 /nfs/dbraw/zinc/42/25/35/528422535.db2.gz VZRODCPGOIPKGY-NEPJUHHUSA-N 2 2 286.366 3.245 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423393021 528422688 /nfs/dbraw/zinc/42/26/88/528422688.db2.gz YAPPATLISXDMPX-OLZOCXBDSA-N 2 2 252.377 3.091 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1CNCc1c[nH+]cn1C(C)C ZINC000424142796 528471115 /nfs/dbraw/zinc/47/11/15/528471115.db2.gz FHQDTWQRPDWPEI-INIZCTEOSA-N 2 2 292.471 3.208 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1CNCc1c[nH+]cn1C(C)C ZINC000424142796 528471120 /nfs/dbraw/zinc/47/11/20/528471120.db2.gz FHQDTWQRPDWPEI-INIZCTEOSA-N 2 2 292.471 3.208 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423319998 528475146 /nfs/dbraw/zinc/47/51/46/528475146.db2.gz FYQKXSLZCRMDPP-NSHDSACASA-N 2 2 282.815 3.271 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423311802 528517789 /nfs/dbraw/zinc/51/77/89/528517789.db2.gz QVLTZQPIQVXPLM-ZDUSSCGKSA-N 2 2 284.856 3.466 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427856380 528599740 /nfs/dbraw/zinc/59/97/40/528599740.db2.gz VXKDRWSJZCFJOO-DOTOQJQBSA-N 2 2 269.392 3.185 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422854114 528617566 /nfs/dbraw/zinc/61/75/66/528617566.db2.gz AEBWVRAMLGZFNK-GOEBONIOSA-N 2 2 276.424 3.014 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000425331918 528622608 /nfs/dbraw/zinc/62/26/08/528622608.db2.gz ZLIPOCXGLBBLFF-MRXNPFEDSA-N 2 2 255.365 3.411 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000425331918 528622612 /nfs/dbraw/zinc/62/26/12/528622612.db2.gz ZLIPOCXGLBBLFF-MRXNPFEDSA-N 2 2 255.365 3.411 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000368693067 528654120 /nfs/dbraw/zinc/65/41/20/528654120.db2.gz GJSPZEFFTWKMLN-INIZCTEOSA-N 2 2 299.418 3.257 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000426400438 528663719 /nfs/dbraw/zinc/66/37/19/528663719.db2.gz IOOREXGGSGBXQF-LBPRGKRZSA-N 2 2 290.436 3.198 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000426400438 528663720 /nfs/dbraw/zinc/66/37/20/528663720.db2.gz IOOREXGGSGBXQF-LBPRGKRZSA-N 2 2 290.436 3.198 20 0 CGADLP CC(CC[NH+]1CCC(F)(F)C1)CC[N@@H+]1CCC(F)(F)C1 ZINC000411493596 528706703 /nfs/dbraw/zinc/70/67/03/528706703.db2.gz IICSDSDVCHNIBM-UHFFFAOYSA-N 2 2 296.352 3.085 20 0 CGADLP CC(CC[NH+]1CCC(F)(F)C1)CC[N@H+]1CCC(F)(F)C1 ZINC000411493596 528706704 /nfs/dbraw/zinc/70/67/04/528706704.db2.gz IICSDSDVCHNIBM-UHFFFAOYSA-N 2 2 296.352 3.085 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414819356 528820146 /nfs/dbraw/zinc/82/01/46/528820146.db2.gz YNBOVICQTLMGGR-NSHDSACASA-N 2 2 269.458 3.048 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423301970 528823281 /nfs/dbraw/zinc/82/32/81/528823281.db2.gz UVCJPRXSLFPMFQ-NEPJUHHUSA-N 2 2 281.469 3.190 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423288314 528949391 /nfs/dbraw/zinc/94/93/91/528949391.db2.gz RRIXQUIDJCXLKN-JTQLQIEISA-N 2 2 256.340 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359698025 529086081 /nfs/dbraw/zinc/08/60/81/529086081.db2.gz VDKBIHZTGFPDMW-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359698025 529086084 /nfs/dbraw/zinc/08/60/84/529086084.db2.gz VDKBIHZTGFPDMW-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449060780 529105860 /nfs/dbraw/zinc/10/58/60/529105860.db2.gz UAIAQYSHVMQFNI-WBMJQRKESA-N 2 2 282.378 3.142 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449060780 529105864 /nfs/dbraw/zinc/10/58/64/529105864.db2.gz UAIAQYSHVMQFNI-WBMJQRKESA-N 2 2 282.378 3.142 20 0 CGADLP CC(C)[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccnc1 ZINC000359315219 529120594 /nfs/dbraw/zinc/12/05/94/529120594.db2.gz QRDMQVXRAMEYEC-KRWDZBQOSA-N 2 2 284.407 3.266 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccsc1 ZINC000423238659 529178852 /nfs/dbraw/zinc/17/88/52/529178852.db2.gz ALESEHPOZNUKDX-LSDHHAIUSA-N 2 2 260.406 3.489 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C)c1 ZINC000368104392 529207944 /nfs/dbraw/zinc/20/79/44/529207944.db2.gz FSTWWXQIHZIOLK-LSDHHAIUSA-N 2 2 269.392 3.316 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C)c1 ZINC000368104392 529207945 /nfs/dbraw/zinc/20/79/45/529207945.db2.gz FSTWWXQIHZIOLK-LSDHHAIUSA-N 2 2 269.392 3.316 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415088854 529247509 /nfs/dbraw/zinc/24/75/09/529247509.db2.gz YBPGCYKFKLYUGU-GXTWGEPZSA-N 2 2 264.438 3.201 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000368495112 529316080 /nfs/dbraw/zinc/31/60/80/529316080.db2.gz ILHZGLIWQUPINV-KGLIPLIRSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000123676486 535062322 /nfs/dbraw/zinc/06/23/22/535062322.db2.gz WMZVSNVXTGFYDS-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000123676486 535062329 /nfs/dbraw/zinc/06/23/29/535062329.db2.gz WMZVSNVXTGFYDS-CQSZACIVSA-N 2 2 272.795 3.284 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459664139 535341366 /nfs/dbraw/zinc/34/13/66/535341366.db2.gz PNSXAMUJSVZLFI-KRWDZBQOSA-N 2 2 285.435 3.354 20 0 CGADLP CC(C)=CCC[C@H](C)CC[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659506 535365351 /nfs/dbraw/zinc/36/53/51/535365351.db2.gz KILRSYBRALFACD-HNNXBMFYSA-N 2 2 263.429 3.325 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000125248298 535457608 /nfs/dbraw/zinc/45/76/08/535457608.db2.gz HTPWVACHNNDIIT-XJKSGUPXSA-N 2 2 276.424 3.319 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000125248298 535457612 /nfs/dbraw/zinc/45/76/12/535457612.db2.gz HTPWVACHNNDIIT-XJKSGUPXSA-N 2 2 276.424 3.319 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000519368844 572333314 /nfs/dbraw/zinc/33/33/14/572333314.db2.gz AISFCQYYFUXSPR-LIRZEXBASA-N 2 2 272.436 3.456 20 0 CGADLP CCc1cc(NCCCCCCC[NH+]2CCCC2)nc[nH+]1 ZINC000733188523 572540602 /nfs/dbraw/zinc/54/06/02/572540602.db2.gz SBPWXWGMICADPX-UHFFFAOYSA-N 2 2 290.455 3.497 20 0 CGADLP C[C@@H]([N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000750036546 573076405 /nfs/dbraw/zinc/07/64/05/573076405.db2.gz QSUIVXPZPTWMLN-CYBMUJFWSA-N 2 2 272.396 3.134 20 0 CGADLP C[C@@H]([N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000750036546 573076406 /nfs/dbraw/zinc/07/64/06/573076406.db2.gz QSUIVXPZPTWMLN-CYBMUJFWSA-N 2 2 272.396 3.134 20 0 CGADLP CCc1cnc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000234249658 618096530 /nfs/dbraw/zinc/09/65/30/618096530.db2.gz SBBWJBIRPUSDOV-QWHCGFSZSA-N 2 2 281.469 3.106 20 0 CGADLP CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000262228482 618689113 /nfs/dbraw/zinc/68/91/13/618689113.db2.gz NOMKWNPOEGYVDE-QLFBSQMISA-N 2 2 293.480 3.106 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559964 618832934 /nfs/dbraw/zinc/83/29/34/618832934.db2.gz NRKGLXMKIPUWMD-RHSMWYFYSA-N 2 2 290.451 3.049 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559964 618832936 /nfs/dbraw/zinc/83/29/36/618832936.db2.gz NRKGLXMKIPUWMD-RHSMWYFYSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892565287 618864301 /nfs/dbraw/zinc/86/43/01/618864301.db2.gz GJBLOAGJAXAOIB-SNVBAGLBSA-N 2 2 283.297 3.138 20 0 CGADLP C[N@H+](CCC[NH2+][C@H]1CCc2cccnc21)Cc1ccccc1 ZINC000309803829 618960279 /nfs/dbraw/zinc/96/02/79/618960279.db2.gz YXUSQJUCMDATLZ-SFHVURJKSA-N 2 2 295.430 3.181 20 0 CGADLP C[N@@H+](CCC[NH2+][C@H]1CCc2cccnc21)Cc1ccccc1 ZINC000309803829 618960280 /nfs/dbraw/zinc/96/02/80/618960280.db2.gz YXUSQJUCMDATLZ-SFHVURJKSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000182627660 619038413 /nfs/dbraw/zinc/03/84/13/619038413.db2.gz MPLWVPOFVUAZPO-CQSZACIVSA-N 2 2 273.424 3.039 20 0 CGADLP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000317201039 619245694 /nfs/dbraw/zinc/24/56/94/619245694.db2.gz YPVVJJGYCKQNFQ-ZACQAIPSSA-N 2 2 298.434 3.032 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226434595 619275594 /nfs/dbraw/zinc/27/55/94/619275594.db2.gz VYSMAINTEQCBLL-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226434595 619275597 /nfs/dbraw/zinc/27/55/97/619275597.db2.gz VYSMAINTEQCBLL-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP Fc1cccc(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000893980849 619343811 /nfs/dbraw/zinc/34/38/11/619343811.db2.gz PREMCSWTMYLNDQ-DUXPYHPUSA-N 2 2 285.366 3.373 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000895379536 619816968 /nfs/dbraw/zinc/81/69/68/619816968.db2.gz LXGRRGSXVOQRSG-SUMWQHHRSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000895379536 619816970 /nfs/dbraw/zinc/81/69/70/619816970.db2.gz LXGRRGSXVOQRSG-SUMWQHHRSA-N 2 2 291.439 3.104 20 0 CGADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)sc1C ZINC000895508095 619838889 /nfs/dbraw/zinc/83/88/89/619838889.db2.gz DZNFMISGKJRBNA-WFASDCNBSA-N 2 2 295.496 3.312 20 0 CGADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)sc1C ZINC000895508095 619838891 /nfs/dbraw/zinc/83/88/91/619838891.db2.gz DZNFMISGKJRBNA-WFASDCNBSA-N 2 2 295.496 3.312 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250703332 620370319 /nfs/dbraw/zinc/37/03/19/620370319.db2.gz WDYDZTJSJHUYBI-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898033733 620470758 /nfs/dbraw/zinc/47/07/58/620470758.db2.gz ANADGBAKHYUORB-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898033733 620470760 /nfs/dbraw/zinc/47/07/60/620470760.db2.gz ANADGBAKHYUORB-LBPRGKRZSA-N 2 2 280.378 3.429 20 0 CGADLP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21)C[NH+](C)C ZINC000926957680 620554802 /nfs/dbraw/zinc/55/48/02/620554802.db2.gz CAMGZAZFGJSNMK-UMVBOHGHSA-N 2 2 296.480 3.243 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000921506007 625465551 /nfs/dbraw/zinc/46/55/51/625465551.db2.gz HXDKVGKAVRPZTG-UHFFFAOYSA-N 2 2 281.831 3.009 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(Cl)c1 ZINC000902473125 621324466 /nfs/dbraw/zinc/32/44/66/621324466.db2.gz RMIGDAHADSJGRZ-APIJFGDWSA-N 2 2 264.800 3.274 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902464709 621337720 /nfs/dbraw/zinc/33/77/20/621337720.db2.gz BVXZAOGRHGCQDX-QMCVQRASSA-N 2 2 274.408 3.019 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2sccc21 ZINC000902469853 621340151 /nfs/dbraw/zinc/34/01/51/621340151.db2.gz RTNSQGQVVBFNRA-GPXIKIIXSA-N 2 2 262.422 3.169 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000902618814 621386581 /nfs/dbraw/zinc/38/65/81/621386581.db2.gz JAJULDOHXKWWBI-MSOLQXFVSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000902618814 621386583 /nfs/dbraw/zinc/38/65/83/621386583.db2.gz JAJULDOHXKWWBI-MSOLQXFVSA-N 2 2 287.451 3.143 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725213 621413420 /nfs/dbraw/zinc/41/34/20/621413420.db2.gz RUXDLRPHLSMVFN-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725213 621413427 /nfs/dbraw/zinc/41/34/27/621413427.db2.gz RUXDLRPHLSMVFN-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CCOCC1 ZINC000902758014 621427210 /nfs/dbraw/zinc/42/72/10/621427210.db2.gz BFUKKPJMLDMRSN-AEFFLSMTSA-N 2 2 296.499 3.292 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000902759490 621428179 /nfs/dbraw/zinc/42/81/79/621428179.db2.gz YMWWCFWFEYFIDK-ARFHVFGLSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902841778 621470537 /nfs/dbraw/zinc/47/05/37/621470537.db2.gz SADVRQFGPBOFNW-PMPSAXMXSA-N 2 2 299.418 3.338 20 0 CGADLP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895179 621489164 /nfs/dbraw/zinc/48/91/64/621489164.db2.gz VVJINSLHZZZJGP-YXJHDRRASA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956758 621505647 /nfs/dbraw/zinc/50/56/47/621505647.db2.gz DLFWXRWMYZTSQX-HNNXBMFYSA-N 2 2 299.418 3.076 20 0 CGADLP C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902956759 621505980 /nfs/dbraw/zinc/50/59/80/621505980.db2.gz DLFWXRWMYZTSQX-OAHLLOKOSA-N 2 2 299.418 3.076 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCOC23CCCC3)c[nH+]1 ZINC000903076040 621558926 /nfs/dbraw/zinc/55/89/26/621558926.db2.gz IXXRUFVESPEVKA-KRWDZBQOSA-N 2 2 297.402 3.064 20 0 CGADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CC[C@@H]4C[C@@H]43)CC2)[nH+]c1 ZINC000903168289 621617554 /nfs/dbraw/zinc/61/75/54/621617554.db2.gz HURXBAKPABZECC-ZMSDIMECSA-N 2 2 285.435 3.076 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344593 621698197 /nfs/dbraw/zinc/69/81/97/621698197.db2.gz QTKIDERPCNFDMP-MRXNPFEDSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344593 621698203 /nfs/dbraw/zinc/69/82/03/621698203.db2.gz QTKIDERPCNFDMP-MRXNPFEDSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422270 621751523 /nfs/dbraw/zinc/75/15/23/621751523.db2.gz VZJWQPOPHGVZCL-LCGIIJARSA-N 2 2 294.389 3.237 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903422270 621751530 /nfs/dbraw/zinc/75/15/30/621751530.db2.gz VZJWQPOPHGVZCL-LCGIIJARSA-N 2 2 294.389 3.237 20 0 CGADLP Fc1ccccc1C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903719036 621796360 /nfs/dbraw/zinc/79/63/60/621796360.db2.gz UJCZPIBYSZSXOO-CQSZACIVSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccccc1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903719036 621796362 /nfs/dbraw/zinc/79/63/62/621796362.db2.gz UJCZPIBYSZSXOO-CQSZACIVSA-N 2 2 276.399 3.180 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000903843845 621820337 /nfs/dbraw/zinc/82/03/37/621820337.db2.gz UWGSJRWSYJFYAY-WHOFXGATSA-N 2 2 291.464 3.112 20 0 CGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(C3CCCC3)n1)C2 ZINC000903843845 621820340 /nfs/dbraw/zinc/82/03/40/621820340.db2.gz UWGSJRWSYJFYAY-WHOFXGATSA-N 2 2 291.464 3.112 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890128 621823446 /nfs/dbraw/zinc/82/34/46/621823446.db2.gz YNOBXVQUOOBAGO-GJZGRUSLSA-N 2 2 282.378 3.066 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890128 621823449 /nfs/dbraw/zinc/82/34/49/621823449.db2.gz YNOBXVQUOOBAGO-GJZGRUSLSA-N 2 2 282.378 3.066 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903883459 621825871 /nfs/dbraw/zinc/82/58/71/621825871.db2.gz HSHWGGIQSWMLEM-ZDUSSCGKSA-N 2 2 274.330 3.019 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903883459 621825874 /nfs/dbraw/zinc/82/58/74/621825874.db2.gz HSHWGGIQSWMLEM-ZDUSSCGKSA-N 2 2 274.330 3.019 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000903948378 621840279 /nfs/dbraw/zinc/84/02/79/621840279.db2.gz OVXVXJQGLFUDDU-QCPWZWHMSA-N 2 2 276.399 3.132 20 0 CGADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924808671 622259154 /nfs/dbraw/zinc/25/91/54/622259154.db2.gz VDAYDZMEOXKAHS-ROUUACIJSA-N 2 2 299.418 3.023 20 0 CGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000059180885 622996794 /nfs/dbraw/zinc/99/67/94/622996794.db2.gz VLJJOLOTDBNFIO-UHFFFAOYSA-N 2 2 293.480 3.157 20 0 CGADLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000153007060 623760652 /nfs/dbraw/zinc/76/06/52/623760652.db2.gz ZAAZNELAYOFVFT-ZDUSSCGKSA-N 2 2 293.842 3.426 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000754129334 623815195 /nfs/dbraw/zinc/81/51/95/623815195.db2.gz OREXRNVOUQOHBX-LSDHHAIUSA-N 2 2 287.451 3.285 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000919880355 624430183 /nfs/dbraw/zinc/43/01/83/624430183.db2.gz FGHSYFJNMMBGDJ-UHFFFAOYSA-N 2 2 289.467 3.060 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000919880355 624430188 /nfs/dbraw/zinc/43/01/88/624430188.db2.gz FGHSYFJNMMBGDJ-UHFFFAOYSA-N 2 2 289.467 3.060 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753611930 626458758 /nfs/dbraw/zinc/45/87/58/626458758.db2.gz PVRAPMLYFMNVFQ-JKSUJKDBSA-N 2 2 290.451 3.447 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753611930 626458759 /nfs/dbraw/zinc/45/87/59/626458759.db2.gz PVRAPMLYFMNVFQ-JKSUJKDBSA-N 2 2 290.451 3.447 20 0 CGADLP CCCC[C@H](COC)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765248573 627243375 /nfs/dbraw/zinc/24/33/75/627243375.db2.gz FRGYQIMLSHVOLS-HUUCEWRRSA-N 2 2 281.444 3.093 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775622862 628114792 /nfs/dbraw/zinc/11/47/92/628114792.db2.gz JMQSHFZGEGIMDW-OLZOCXBDSA-N 2 2 268.364 3.104 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000793532732 629477496 /nfs/dbraw/zinc/47/74/96/629477496.db2.gz JHFDYLSZXOZTMF-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000793532732 629477499 /nfs/dbraw/zinc/47/74/99/629477499.db2.gz JHFDYLSZXOZTMF-QFBILLFUSA-N 2 2 286.463 3.390 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806141649 630547561 /nfs/dbraw/zinc/54/75/61/630547561.db2.gz KSIIMEIHFMDHSL-BZSNNMDCSA-N 2 2 295.430 3.482 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810253814 630860121 /nfs/dbraw/zinc/86/01/21/630860121.db2.gz DJAYSUNTIZEGNF-JSGCOSHPSA-N 2 2 285.391 3.017 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000815120601 631721682 /nfs/dbraw/zinc/72/16/82/631721682.db2.gz KPJTTWSZQWAZCM-UHFFFAOYSA-N 2 2 291.439 3.117 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817907913 632234183 /nfs/dbraw/zinc/23/41/83/632234183.db2.gz ZDPJAARMWCJWAL-QZTJIDSGSA-N 2 2 288.435 3.268 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000817976927 632267445 /nfs/dbraw/zinc/26/74/45/632267445.db2.gz WZSYSGYSTJVZDY-JYJNAYRXSA-N 2 2 296.817 3.471 20 0 CGADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866342992 633089802 /nfs/dbraw/zinc/08/98/02/633089802.db2.gz JBHVHRRHZBCZQI-MLGOLLRUSA-N 2 2 285.366 3.004 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000824984561 633315045 /nfs/dbraw/zinc/31/50/45/633315045.db2.gz YROOGJYXYQHWEP-JLSDUUJJSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872020619 633941419 /nfs/dbraw/zinc/94/14/19/633941419.db2.gz JAYRDPSUYZTWJC-CRAIPNDOSA-N 2 2 283.419 3.199 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000872027857 633947212 /nfs/dbraw/zinc/94/72/12/633947212.db2.gz GNXMRTCFSGHMSM-IXDOHACOSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000872040056 633960070 /nfs/dbraw/zinc/96/00/70/633960070.db2.gz WSGXAJAXSLPYLN-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000872040056 633960076 /nfs/dbraw/zinc/96/00/76/633960076.db2.gz WSGXAJAXSLPYLN-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872041901 633965000 /nfs/dbraw/zinc/96/50/00/633965000.db2.gz XGBTVIYUGIFPEA-AVGNSLFASA-N 2 2 280.387 3.055 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872088888 634014740 /nfs/dbraw/zinc/01/47/40/634014740.db2.gz SBSDCIUDQGXMMB-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872088888 634014746 /nfs/dbraw/zinc/01/47/46/634014746.db2.gz SBSDCIUDQGXMMB-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)CCC2 ZINC000873236023 634295761 /nfs/dbraw/zinc/29/57/61/634295761.db2.gz WAFDHZMBBOKGRX-OLZOCXBDSA-N 2 2 293.480 3.197 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc2c(c1)COC2 ZINC000873235850 634295923 /nfs/dbraw/zinc/29/59/23/634295923.db2.gz SQHHHTJRNJITFR-CXAGYDPISA-N 2 2 288.435 3.146 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000019905966 634369279 /nfs/dbraw/zinc/36/92/79/634369279.db2.gz IMVVZGVJYLLCCZ-YOEHRIQHSA-N 2 2 260.425 3.458 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163360 635386792 /nfs/dbraw/zinc/38/67/92/635386792.db2.gz QQSIRUIBKCXGFA-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163360 635386795 /nfs/dbraw/zinc/38/67/95/635386795.db2.gz QQSIRUIBKCXGFA-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163360 635386800 /nfs/dbraw/zinc/38/68/00/635386800.db2.gz QQSIRUIBKCXGFA-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)n2)C[C@@H]1C ZINC000878163360 635386806 /nfs/dbraw/zinc/38/68/06/635386806.db2.gz QQSIRUIBKCXGFA-ZFWWWQNUSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc1Cl ZINC000878173122 635393524 /nfs/dbraw/zinc/39/35/24/635393524.db2.gz RZMOOQLMQRNSPQ-UHFFFAOYSA-N 2 2 290.798 3.077 20 0 CGADLP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000843343733 635651421 /nfs/dbraw/zinc/65/14/21/635651421.db2.gz XELUNJQPOSEKRH-HNNXBMFYSA-N 3 2 286.423 3.042 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472571 636007140 /nfs/dbraw/zinc/00/71/40/636007140.db2.gz UAPDVYIWURAAOL-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568657 636612158 /nfs/dbraw/zinc/61/21/58/636612158.db2.gz NLYLNOOOTVEILR-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568657 636612162 /nfs/dbraw/zinc/61/21/62/636612162.db2.gz NLYLNOOOTVEILR-OLMNPRSZSA-N 2 2 290.426 3.363 20 0 CGADLP CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC(F)(F)C1 ZINC000883250370 636621116 /nfs/dbraw/zinc/62/11/16/636621116.db2.gz SDGXZWZPDBODQR-UHFFFAOYSA-N 2 2 297.374 3.459 20 0 CGADLP CCC[C@@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000883256656 636625090 /nfs/dbraw/zinc/62/50/90/636625090.db2.gz DYHDAEOANISIMP-OAHLLOKOSA-N 2 2 275.440 3.466 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883387532 636729085 /nfs/dbraw/zinc/72/90/85/636729085.db2.gz ZDQDNXNPSLVMID-CZUORRHYSA-N 2 2 255.365 3.013 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885916300 637311759 /nfs/dbraw/zinc/31/17/59/637311759.db2.gz WFXQVRUSYNNDDU-KRWDZBQOSA-N 2 2 294.483 3.334 20 0 CGADLP FC(F)(F)SCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000886021549 637369425 /nfs/dbraw/zinc/36/94/25/637369425.db2.gz YPFHKMRESRGUNM-GFCCVEGCSA-N 2 2 296.402 3.047 20 0 CGADLP FC(F)(F)SCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000886021549 637369430 /nfs/dbraw/zinc/36/94/30/637369430.db2.gz YPFHKMRESRGUNM-GFCCVEGCSA-N 2 2 296.402 3.047 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000886093908 637406268 /nfs/dbraw/zinc/40/62/68/637406268.db2.gz JZFPVGWHXZNGMP-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000886093908 637406280 /nfs/dbraw/zinc/40/62/80/637406280.db2.gz JZFPVGWHXZNGMP-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000886282811 637483671 /nfs/dbraw/zinc/48/36/71/637483671.db2.gz VSHNSXKPXIOFLO-KNPMLCFXSA-N 2 2 287.432 3.316 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000886508741 637544629 /nfs/dbraw/zinc/54/46/29/637544629.db2.gz LYYOKPCVWAJBQY-OAGGEKHMSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000221982301 637771557 /nfs/dbraw/zinc/77/15/57/637771557.db2.gz LNCYSERISAGJBZ-GJZGRUSLSA-N 2 2 278.415 3.221 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000854225828 638028015 /nfs/dbraw/zinc/02/80/15/638028015.db2.gz APJIEVHAVCBSDF-OPGSHWCFSA-N 2 2 294.826 3.060 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000924533725 638354695 /nfs/dbraw/zinc/35/46/95/638354695.db2.gz LLXBUOUJZMNZFD-CQSZACIVSA-N 2 2 296.374 3.279 20 0 CGADLP CC(C)(C[NH2+][C@H](C1CC1)C1CCOCC1)[NH+]1CCCCC1 ZINC000924539547 638355125 /nfs/dbraw/zinc/35/51/25/638355125.db2.gz FMTBVXNEHZQWBC-QGZVFWFLSA-N 2 2 294.483 3.046 20 0 CGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924576564 638366210 /nfs/dbraw/zinc/36/62/10/638366210.db2.gz TZOLJDIKPAKOEA-IBGZPJMESA-N 2 2 295.430 3.163 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)n2)CC1 ZINC000924580336 638366824 /nfs/dbraw/zinc/36/68/24/638366824.db2.gz VWLFKXRNBVOUSP-HNNXBMFYSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1(Cl)CC1 ZINC000924885646 638420031 /nfs/dbraw/zinc/42/00/31/638420031.db2.gz GJFWNIROVCEZCC-VXGBXAGGSA-N 2 2 295.858 3.245 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000925052244 638444244 /nfs/dbraw/zinc/44/42/44/638444244.db2.gz QIZXQRBNQAECJN-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000925052244 638444247 /nfs/dbraw/zinc/44/42/47/638444247.db2.gz QIZXQRBNQAECJN-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccc2o1 ZINC000925705677 638574022 /nfs/dbraw/zinc/57/40/22/638574022.db2.gz JUEASBXSHDIPOU-MRXNPFEDSA-N 2 2 270.376 3.197 20 0 CGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805449 638814384 /nfs/dbraw/zinc/81/43/84/638814384.db2.gz UKPLTQRXKAIFFC-INMHGKMJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805449 638814387 /nfs/dbraw/zinc/81/43/87/638814387.db2.gz UKPLTQRXKAIFFC-INMHGKMJSA-N 2 2 294.483 3.044 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C(C)(C)O1 ZINC000927099386 638841864 /nfs/dbraw/zinc/84/18/64/638841864.db2.gz NGCYFMFZNPWEBZ-OAGGEKHMSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(C)(C)O1 ZINC000927099386 638841866 /nfs/dbraw/zinc/84/18/66/638841866.db2.gz NGCYFMFZNPWEBZ-OAGGEKHMSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117495 638844608 /nfs/dbraw/zinc/84/46/08/638844608.db2.gz BTHIJMNETVTFCX-NBMJBFSESA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117495 638844610 /nfs/dbraw/zinc/84/46/10/638844610.db2.gz BTHIJMNETVTFCX-NBMJBFSESA-N 2 2 299.462 3.072 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000931348567 639138894 /nfs/dbraw/zinc/13/88/94/639138894.db2.gz IAJAHBVSTFVCDG-UHFFFAOYSA-N 2 2 296.842 3.135 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+](CC/C=C/c1ccccc1)CC2 ZINC000931515273 639163628 /nfs/dbraw/zinc/16/36/28/639163628.db2.gz CUTDCZOGSKMHHJ-XBXARRHUSA-N 2 2 279.387 3.125 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+](CC/C=C/c1ccccc1)CC2 ZINC000931515273 639163632 /nfs/dbraw/zinc/16/36/32/639163632.db2.gz CUTDCZOGSKMHHJ-XBXARRHUSA-N 2 2 279.387 3.125 20 0 CGADLP CN(CC1CC[NH+](C)CC1)c1ccc(C(C)(C)C)c[nH+]1 ZINC001165044075 721939097 /nfs/dbraw/zinc/93/90/97/721939097.db2.gz GSPJPRUBCUNIRQ-UHFFFAOYSA-N 2 2 275.440 3.157 20 0 CGADLP Cc1nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc(C(C)C)[nH+]1 ZINC001155549524 805591084 /nfs/dbraw/zinc/59/10/84/805591084.db2.gz LSKBKQCNKCFQHA-QAPCUYQASA-N 2 2 296.418 3.424 20 0 CGADLP Cc1cc(C)[nH+]c(N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155559697 805592680 /nfs/dbraw/zinc/59/26/80/805592680.db2.gz PVTBBQNWKOXPAW-GFCCVEGCSA-N 2 2 259.378 3.016 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)nc(C(C)(C)C)[nH+]1 ZINC001156385365 805681134 /nfs/dbraw/zinc/68/11/34/805681134.db2.gz DTFHMKVEIMUAJX-CQSZACIVSA-N 2 2 290.455 3.226 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)nc(C(C)(C)C)[nH+]1 ZINC001156385365 805681139 /nfs/dbraw/zinc/68/11/39/805681139.db2.gz DTFHMKVEIMUAJX-CQSZACIVSA-N 2 2 290.455 3.226 20 0 CGADLP Cc1cc(NCc2ccc(N)[nH+]c2C)[nH+]c2ccccc12 ZINC001156980508 805762849 /nfs/dbraw/zinc/76/28/49/805762849.db2.gz JUXMFOBAEKLIFL-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP COc1cc(NCc2ccc(N)[nH+]c2C)[nH+]c2ccccc21 ZINC001156981310 805763801 /nfs/dbraw/zinc/76/38/01/805763801.db2.gz ZEBKPVSZWZDETH-UHFFFAOYSA-N 2 2 294.358 3.141 20 0 CGADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2c([nH+]1)CCCC2 ZINC001157797403 805873271 /nfs/dbraw/zinc/87/32/71/805873271.db2.gz RBALLDWQGONYPT-HOTGVXAUSA-N 2 2 273.424 3.245 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159020089 806031897 /nfs/dbraw/zinc/03/18/97/806031897.db2.gz SRGNSBRIEUSDKN-UHFFFAOYSA-N 2 2 287.794 3.078 20 0 CGADLP CNc1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c[nH+]1 ZINC001160257033 806244084 /nfs/dbraw/zinc/24/40/84/806244084.db2.gz RMTJSYYPAPTUHG-OAHLLOKOSA-N 2 2 296.418 3.409 20 0 CGADLP c1ccc2c(c1)CCC([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001254450048 806403948 /nfs/dbraw/zinc/40/39/48/806403948.db2.gz DHTYNXGDGIQMJZ-UHFFFAOYSA-N 2 2 286.463 3.400 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001254454396 806407161 /nfs/dbraw/zinc/40/71/61/806407161.db2.gz SYHUQAMFDGQRML-SFHVURJKSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001254454396 806407166 /nfs/dbraw/zinc/40/71/66/806407166.db2.gz SYHUQAMFDGQRML-SFHVURJKSA-N 2 2 284.447 3.150 20 0 CGADLP Cc1nc(NCc2[nH+]cn3ccccc23)cc(C(C)C)[nH+]1 ZINC001161681124 806416639 /nfs/dbraw/zinc/41/66/39/806416639.db2.gz YWENTVJLCYDXKZ-UHFFFAOYSA-N 2 2 281.363 3.168 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)ccc1F ZINC001254846241 806497359 /nfs/dbraw/zinc/49/73/59/806497359.db2.gz SNWQEMOTJFLKFV-CZUORRHYSA-N 2 2 276.399 3.269 20 0 CGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCSCC2)cc1 ZINC001255087103 806540014 /nfs/dbraw/zinc/54/00/14/806540014.db2.gz CFWSNSNWUVOPSX-UHFFFAOYSA-N 2 2 273.405 3.077 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255380368 806628365 /nfs/dbraw/zinc/62/83/65/806628365.db2.gz JQARZMHQVFTTMK-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380368 806628370 /nfs/dbraw/zinc/62/83/70/806628370.db2.gz JQARZMHQVFTTMK-SFHVURJKSA-N 2 2 299.418 3.127 20 0 CGADLP C[N@H+](Cc1ccno1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410434 806635632 /nfs/dbraw/zinc/63/56/32/806635632.db2.gz WWXDFTUZECBVOT-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP C[N@@H+](Cc1ccno1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255410434 806635635 /nfs/dbraw/zinc/63/56/35/806635635.db2.gz WWXDFTUZECBVOT-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP C[NH+](Cc1ccno1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410434 806635640 /nfs/dbraw/zinc/63/56/40/806635640.db2.gz WWXDFTUZECBVOT-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP C[NH+](Cc1ccno1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410434 806635643 /nfs/dbraw/zinc/63/56/43/806635643.db2.gz WWXDFTUZECBVOT-KRWDZBQOSA-N 2 2 299.418 3.161 20 0 CGADLP CC(C)(C)C(=[NH2+])Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162665768 806645297 /nfs/dbraw/zinc/64/52/97/806645297.db2.gz NJPGLTLZNGYOTD-UHFFFAOYSA-N 2 2 260.316 3.447 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1F ZINC000037156174 798860574 /nfs/dbraw/zinc/86/05/74/798860574.db2.gz TULREZZPCDQTGK-HNNXBMFYSA-N 2 2 293.361 3.366 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037644153 798872051 /nfs/dbraw/zinc/87/20/51/798872051.db2.gz WDGNCSOBIYWHCN-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037644153 798872055 /nfs/dbraw/zinc/87/20/55/798872055.db2.gz WDGNCSOBIYWHCN-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050267216 798894861 /nfs/dbraw/zinc/89/48/61/798894861.db2.gz FXGJJEVBGCOYQU-MSOLQXFVSA-N 2 2 288.435 3.352 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)CC(F)(F)F)C1 ZINC001255665363 806699821 /nfs/dbraw/zinc/69/98/21/806699821.db2.gz XJVYGIQPADDPOW-RYUDHWBXSA-N 2 2 288.313 3.184 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)CC(F)(F)F)C1 ZINC001255665363 806699827 /nfs/dbraw/zinc/69/98/27/806699827.db2.gz XJVYGIQPADDPOW-RYUDHWBXSA-N 2 2 288.313 3.184 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711542 806715513 /nfs/dbraw/zinc/71/55/13/806715513.db2.gz XXEVZPHLRNGTEV-YPMHNXCESA-N 2 2 278.362 3.134 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255711542 806715515 /nfs/dbraw/zinc/71/55/15/806715515.db2.gz XXEVZPHLRNGTEV-YPMHNXCESA-N 2 2 278.362 3.134 20 0 CGADLP CSCc1ccc(NC2CCC(C[NH+](C)C)CC2)[nH+]c1 ZINC001163302871 806738711 /nfs/dbraw/zinc/73/87/11/806738711.db2.gz AGHAFVCOXUEZKN-UHFFFAOYSA-N 2 2 293.480 3.477 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000389351496 799462092 /nfs/dbraw/zinc/46/20/92/799462092.db2.gz LFKXXDAPPFWFIL-WBVHZDCISA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000389351496 799462097 /nfs/dbraw/zinc/46/20/97/799462097.db2.gz LFKXXDAPPFWFIL-WBVHZDCISA-N 2 2 290.451 3.089 20 0 CGADLP Cc1ccc(C[C@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC001255791948 806753996 /nfs/dbraw/zinc/75/39/96/806753996.db2.gz HKCDFAPBIDPJBH-DOTOQJQBSA-N 2 2 283.419 3.462 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000470002554 799646805 /nfs/dbraw/zinc/64/68/05/799646805.db2.gz GRRPERDDAKYNNP-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000470002554 799646806 /nfs/dbraw/zinc/64/68/06/799646806.db2.gz GRRPERDDAKYNNP-KRWDZBQOSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cncc(Cl)c2)CC1 ZINC000702686162 799913522 /nfs/dbraw/zinc/91/35/22/799913522.db2.gz DNVKORTWARECOU-UHFFFAOYSA-N 2 2 281.831 3.088 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000705210391 799945145 /nfs/dbraw/zinc/94/51/45/799945145.db2.gz CDCWVKVDNMFDKV-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000705210391 799945160 /nfs/dbraw/zinc/94/51/60/799945160.db2.gz CDCWVKVDNMFDKV-NVXWUHKLSA-N 2 2 272.436 3.287 20 0 CGADLP CC[C@H]1CCC[C@H](C[N@H+]2CCc3sc(C[NH3+])nc3C2)C1 ZINC000710280540 800031503 /nfs/dbraw/zinc/03/15/03/800031503.db2.gz WJDTXBHRQMJRRL-STQMWFEESA-N 2 2 293.480 3.176 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000711709019 800069336 /nfs/dbraw/zinc/06/93/36/800069336.db2.gz JQEBOUACSKAVHR-CABCVRRESA-N 2 2 267.376 3.489 20 0 CGADLP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000713000531 800101863 /nfs/dbraw/zinc/10/18/63/800101863.db2.gz NBIVIOYYFXWCER-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000715560771 800138285 /nfs/dbraw/zinc/13/82/85/800138285.db2.gz DWSCMZNIBHDRRD-VXGBXAGGSA-N 2 2 286.341 3.066 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3CCC=CCC3)cc2)c[nH+]1 ZINC000718108304 800211309 /nfs/dbraw/zinc/21/13/09/800211309.db2.gz DLXQNMKUDRJCCV-UHFFFAOYSA-N 2 2 267.376 3.461 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cn1 ZINC001256080852 806815622 /nfs/dbraw/zinc/81/56/22/806815622.db2.gz FBWNEAQSPFRPCK-GOSISDBHSA-N 2 2 285.435 3.154 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cn1 ZINC001256080852 806815627 /nfs/dbraw/zinc/81/56/27/806815627.db2.gz FBWNEAQSPFRPCK-GOSISDBHSA-N 2 2 285.435 3.154 20 0 CGADLP CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC(F)(F)C1 ZINC000720921396 800272181 /nfs/dbraw/zinc/27/21/81/800272181.db2.gz BIICSFNAGHOCLX-UHFFFAOYSA-N 2 2 277.318 3.150 20 0 CGADLP COc1cccc(C[C@@H](C)n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)c1 ZINC001256168960 806843090 /nfs/dbraw/zinc/84/30/90/806843090.db2.gz XBMJFJNKBFVFND-GDBMZVCRSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207536 806848764 /nfs/dbraw/zinc/84/87/64/806848764.db2.gz LORKCXYNERPSHD-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207536 806848768 /nfs/dbraw/zinc/84/87/68/806848768.db2.gz LORKCXYNERPSHD-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926322180 800638790 /nfs/dbraw/zinc/63/87/90/800638790.db2.gz DUJQSWLXOHWMND-DKUMPPAJSA-N 2 2 282.497 3.123 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926322180 800638792 /nfs/dbraw/zinc/63/87/92/800638792.db2.gz DUJQSWLXOHWMND-DKUMPPAJSA-N 2 2 282.497 3.123 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CCC2(CCCC[NH2+]2)CC1 ZINC001165245874 806980003 /nfs/dbraw/zinc/98/00/03/806980003.db2.gz BAZVWAPGXHYHRV-UHFFFAOYSA-N 2 2 281.403 3.347 20 0 CGADLP CC[C@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001117750509 802486780 /nfs/dbraw/zinc/48/67/80/802486780.db2.gz HGDFJHSYNNKPSS-UONOGXRCSA-N 2 2 298.390 3.341 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120921877 802794170 /nfs/dbraw/zinc/79/41/70/802794170.db2.gz VYALNNCOGNELGC-UONOGXRCSA-N 2 2 259.397 3.147 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120921877 802794176 /nfs/dbraw/zinc/79/41/76/802794176.db2.gz VYALNNCOGNELGC-UONOGXRCSA-N 2 2 259.397 3.147 20 0 CGADLP Nc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001201286839 811808933 /nfs/dbraw/zinc/80/89/33/811808933.db2.gz CXPWQTMSNQENCJ-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP C[NH2+]Cc1cccc(-c2[nH+]ccc3[nH]ccc32)c1F ZINC001244855842 803550781 /nfs/dbraw/zinc/55/07/81/803550781.db2.gz HRZFDGNPNQPDKR-UHFFFAOYSA-N 2 2 255.296 3.088 20 0 CGADLP Cc1ccc2nc(C[NH+]3CCC([NH+](C)C)CC3)ccc2c1 ZINC001137209624 803696945 /nfs/dbraw/zinc/69/69/45/803696945.db2.gz MCVDTMWGLWSFNN-UHFFFAOYSA-N 2 2 283.419 3.069 20 0 CGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC001137661271 803752851 /nfs/dbraw/zinc/75/28/51/803752851.db2.gz MCGUQDWFRQTPKW-UHFFFAOYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)nc1 ZINC001137741635 803766816 /nfs/dbraw/zinc/76/68/16/803766816.db2.gz MACAEQMLARHQQG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)nc1 ZINC001137741635 803766823 /nfs/dbraw/zinc/76/68/23/803766823.db2.gz MACAEQMLARHQQG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)nc1 ZINC001137741635 803766828 /nfs/dbraw/zinc/76/68/28/803766828.db2.gz MACAEQMLARHQQG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(F)nc1 ZINC001137741635 803766832 /nfs/dbraw/zinc/76/68/32/803766832.db2.gz MACAEQMLARHQQG-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)c[nH+]c1N ZINC001245541371 803800515 /nfs/dbraw/zinc/80/05/15/803800515.db2.gz RYGAUZLRWGJSEV-HNNXBMFYSA-N 2 2 267.376 3.058 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CC[N@H+](C)C3)cc2)c[nH+]c1N ZINC001245541371 803800521 /nfs/dbraw/zinc/80/05/21/803800521.db2.gz RYGAUZLRWGJSEV-HNNXBMFYSA-N 2 2 267.376 3.058 20 0 CGADLP COc1ccc(C)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001138489086 803949844 /nfs/dbraw/zinc/94/98/44/803949844.db2.gz NCTKNKSWHVJONA-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001138489086 803949852 /nfs/dbraw/zinc/94/98/52/803949852.db2.gz NCTKNKSWHVJONA-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(C)cccc3Cl)C[C@H]2C1 ZINC001138721727 804018314 /nfs/dbraw/zinc/01/83/14/804018314.db2.gz HEXHUGFKTDGELO-HUUCEWRRSA-N 2 2 292.854 3.422 20 0 CGADLP CC(C)([NH3+])c1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC001245913951 804042309 /nfs/dbraw/zinc/04/23/09/804042309.db2.gz RTEMOJJRIZZRMD-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP c1cc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2o1 ZINC001138825648 804052069 /nfs/dbraw/zinc/05/20/69/804052069.db2.gz DYSXCULLUMCVGY-UHFFFAOYSA-N 2 2 270.376 3.103 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073888 804111641 /nfs/dbraw/zinc/11/16/41/804111641.db2.gz AQSQXAABEFRAAO-CXAGYDPISA-N 2 2 272.367 3.046 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C[NH3+])c1ccccc1)CC2 ZINC001246077052 804115876 /nfs/dbraw/zinc/11/58/76/804115876.db2.gz QPNGNVLYXMDAND-OALUTQOASA-N 2 2 280.415 3.142 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccccc2)cc1 ZINC001246078582 804116013 /nfs/dbraw/zinc/11/60/13/804116013.db2.gz VXVMDUWMXOLZSI-YJBOKZPZSA-N 2 2 268.404 3.216 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C[NH2+]1 ZINC001246082094 804119494 /nfs/dbraw/zinc/11/94/94/804119494.db2.gz VXYUGNATKIBRDA-RHSMWYFYSA-N 2 2 266.388 3.194 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001246099966 804133066 /nfs/dbraw/zinc/13/30/66/804133066.db2.gz BONIUPRYAGRITH-MISXGVKJSA-N 2 2 284.856 3.161 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246111894 804143473 /nfs/dbraw/zinc/14/34/73/804143473.db2.gz OWRPDBVXAAORTB-KFWWJZLASA-N 2 2 268.420 3.169 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341240 804177782 /nfs/dbraw/zinc/17/77/82/804177782.db2.gz FLNSPWGPOZFSPM-MJGOQNOKSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341240 804177787 /nfs/dbraw/zinc/17/77/87/804177787.db2.gz FLNSPWGPOZFSPM-MJGOQNOKSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341240 804177792 /nfs/dbraw/zinc/17/77/92/804177792.db2.gz FLNSPWGPOZFSPM-MJGOQNOKSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc(O)ccc4c3)C[C@@H]21 ZINC001139341240 804177795 /nfs/dbraw/zinc/17/77/95/804177795.db2.gz FLNSPWGPOZFSPM-MJGOQNOKSA-N 2 2 296.414 3.071 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC001246169895 804184727 /nfs/dbraw/zinc/18/47/27/804184727.db2.gz OOCKDQVCMGQCOC-TZMCWYRMSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H]1CC([NH2+]Cc2ccc(F)c(Cl)c2F)C[C@@H](C)[NH2+]1 ZINC001246228516 804221559 /nfs/dbraw/zinc/22/15/59/804221559.db2.gz XWAWJVYVEJTOQI-RKDXNWHRSA-N 2 2 288.769 3.237 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Cl)CC[NH2+]1 ZINC001246232599 804225494 /nfs/dbraw/zinc/22/54/94/804225494.db2.gz KAIAJSWFIXRLCB-GHMZBOCLSA-N 2 2 288.769 3.238 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)ccc2s1 ZINC001246238667 804230345 /nfs/dbraw/zinc/23/03/45/804230345.db2.gz HCWZZNBQLSLQSI-CQSZACIVSA-N 2 2 260.406 3.133 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246280444 804256842 /nfs/dbraw/zinc/25/68/42/804256842.db2.gz RPNGEJVXDQHSNG-INWMFGNUSA-N 2 2 292.398 3.016 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284311 804258961 /nfs/dbraw/zinc/25/89/61/804258961.db2.gz CXIWHUCUKFPYMH-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246286021 804260574 /nfs/dbraw/zinc/26/05/74/804260574.db2.gz HBLZLAIBJHGPRC-WQVCFCJDSA-N 2 2 264.388 3.397 20 0 CGADLP C[NH2+]CC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC001246293101 804261816 /nfs/dbraw/zinc/26/18/16/804261816.db2.gz AHVLTXKEGBVVMH-UWVGGRQHSA-N 2 2 258.768 3.128 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139715704 804264533 /nfs/dbraw/zinc/26/45/33/804264533.db2.gz COMANKZMHSOJNL-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP Cc1cc(O)cc(C)c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139715704 804264540 /nfs/dbraw/zinc/26/45/40/804264540.db2.gz COMANKZMHSOJNL-UHFFFAOYSA-N 2 2 290.451 3.314 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001246341000 804292560 /nfs/dbraw/zinc/29/25/60/804292560.db2.gz XDFUNXAKICVJRC-MOPGFXCFSA-N 2 2 280.415 3.230 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246346114 804296364 /nfs/dbraw/zinc/29/63/64/804296364.db2.gz DQDQVWVEXNTYIM-OAHLLOKOSA-N 2 2 276.424 3.096 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2F)CC[NH2+]1 ZINC001246399546 804322798 /nfs/dbraw/zinc/32/27/98/804322798.db2.gz ZCXCJJKFHJWCMX-RBOXIYTFSA-N 2 2 282.378 3.392 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407029 804323809 /nfs/dbraw/zinc/32/38/09/804323809.db2.gz SKORCHSCFHBRAV-JOCBIADPSA-N 3 2 293.499 3.032 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407029 804323817 /nfs/dbraw/zinc/32/38/17/804323817.db2.gz SKORCHSCFHBRAV-JOCBIADPSA-N 3 2 293.499 3.032 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)ccc1C ZINC001246469593 804347069 /nfs/dbraw/zinc/34/70/69/804347069.db2.gz DIVJEUXJRJYAAU-BFYDXBDKSA-N 2 2 260.425 3.485 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cc(C)ccc1C ZINC001246469596 804347187 /nfs/dbraw/zinc/34/71/87/804347187.db2.gz DIVJEUXJRJYAAU-ZMSDIMECSA-N 2 2 260.425 3.485 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(F)c1Cl ZINC001246493736 804359088 /nfs/dbraw/zinc/35/90/88/804359088.db2.gz TXIWBQVUBQWZGR-AXFHLTTASA-N 2 2 270.779 3.270 20 0 CGADLP C[NH2+]CC[N@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246525348 804379478 /nfs/dbraw/zinc/37/94/78/804379478.db2.gz WNCDKQYLBLHEJJ-JTQLQIEISA-N 2 2 290.785 3.091 20 0 CGADLP C[NH2+]CC[N@@H+](C)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246525348 804379486 /nfs/dbraw/zinc/37/94/86/804379486.db2.gz WNCDKQYLBLHEJJ-JTQLQIEISA-N 2 2 290.785 3.091 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246542987 804391950 /nfs/dbraw/zinc/39/19/50/804391950.db2.gz QWBLUEXSHXHXIE-GDBMZVCRSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001246542987 804391958 /nfs/dbraw/zinc/39/19/58/804391958.db2.gz QWBLUEXSHXHXIE-GDBMZVCRSA-N 2 2 278.465 3.289 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246567190 804415971 /nfs/dbraw/zinc/41/59/71/804415971.db2.gz VXYNYFGEFHOIGC-BRWVUGGUSA-N 2 2 278.415 3.015 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246567190 804415973 /nfs/dbraw/zinc/41/59/73/804415973.db2.gz VXYNYFGEFHOIGC-BRWVUGGUSA-N 2 2 278.415 3.015 20 0 CGADLP CC1(C[NH3+])C[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246591723 804433883 /nfs/dbraw/zinc/43/38/83/804433883.db2.gz XBWKSPDKELSPET-LBPRGKRZSA-N 2 2 299.245 3.131 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604050 804440739 /nfs/dbraw/zinc/44/07/39/804440739.db2.gz MXMXVLXRVDIEIG-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001246604050 804440746 /nfs/dbraw/zinc/44/07/46/804440746.db2.gz MXMXVLXRVDIEIG-CJNGLKHVSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246608793 804442589 /nfs/dbraw/zinc/44/25/89/804442589.db2.gz JUZURODOIQUTHW-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246608793 804442593 /nfs/dbraw/zinc/44/25/93/804442593.db2.gz JUZURODOIQUTHW-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632184 804462470 /nfs/dbraw/zinc/46/24/70/804462470.db2.gz UQXFYMYDECXNKJ-BLLLJJGKSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001246632184 804462473 /nfs/dbraw/zinc/46/24/73/804462473.db2.gz UQXFYMYDECXNKJ-BLLLJJGKSA-N 2 2 296.817 3.096 20 0 CGADLP C[C@@H]1CC([N@H+](C)Cc2ccccc2Cl)C[C@@H](C)[NH2+]1 ZINC001246770320 804503084 /nfs/dbraw/zinc/50/30/84/804503084.db2.gz QHXUVDBXXBJVHD-VXGBXAGGSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@@H]1CC([N@@H+](C)Cc2ccccc2Cl)C[C@@H](C)[NH2+]1 ZINC001246770320 804503092 /nfs/dbraw/zinc/50/30/92/804503092.db2.gz QHXUVDBXXBJVHD-VXGBXAGGSA-N 2 2 266.816 3.301 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001246821000 804535315 /nfs/dbraw/zinc/53/53/15/804535315.db2.gz LKCQUUFFHAMSDC-YRGRVCCFSA-N 2 2 282.428 3.118 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001246821000 804535321 /nfs/dbraw/zinc/53/53/21/804535321.db2.gz LKCQUUFFHAMSDC-YRGRVCCFSA-N 2 2 282.428 3.118 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001246864280 804568007 /nfs/dbraw/zinc/56/80/07/804568007.db2.gz SSWSETVLOKPJPC-QLFBSQMISA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001246864280 804568013 /nfs/dbraw/zinc/56/80/13/804568013.db2.gz SSWSETVLOKPJPC-QLFBSQMISA-N 2 2 278.465 3.145 20 0 CGADLP CCCCc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC001141067914 804582970 /nfs/dbraw/zinc/58/29/70/804582970.db2.gz RJZSAYWSZNVIOT-KGLIPLIRSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC001141067914 804582975 /nfs/dbraw/zinc/58/29/75/804582975.db2.gz RJZSAYWSZNVIOT-KGLIPLIRSA-N 2 2 261.413 3.374 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246912881 804597499 /nfs/dbraw/zinc/59/74/99/804597499.db2.gz QEUJQVPXSFTMQK-CZUORRHYSA-N 2 2 296.455 3.380 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246912881 804597502 /nfs/dbraw/zinc/59/75/02/804597502.db2.gz QEUJQVPXSFTMQK-CZUORRHYSA-N 2 2 296.455 3.380 20 0 CGADLP CC[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246939929 804609914 /nfs/dbraw/zinc/60/99/14/804609914.db2.gz WAULECSSCXVZRY-CJNGLKHVSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246939929 804609917 /nfs/dbraw/zinc/60/99/17/804609917.db2.gz WAULECSSCXVZRY-CJNGLKHVSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)CSc1ccc(C)cc1 ZINC001246975504 804624095 /nfs/dbraw/zinc/62/40/95/804624095.db2.gz VGYAYJRQDFQETH-KBPBESRZSA-N 2 2 266.454 3.145 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CSc1ccc(C)cc1 ZINC001246975504 804624099 /nfs/dbraw/zinc/62/40/99/804624099.db2.gz VGYAYJRQDFQETH-KBPBESRZSA-N 2 2 266.454 3.145 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2n1 ZINC001141485304 804647165 /nfs/dbraw/zinc/64/71/65/804647165.db2.gz XSEBHPJNMLSXTI-PKOBYXMFSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)ccc2n1 ZINC001141485304 804647169 /nfs/dbraw/zinc/64/71/69/804647169.db2.gz XSEBHPJNMLSXTI-PKOBYXMFSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2n1 ZINC001141485304 804647173 /nfs/dbraw/zinc/64/71/73/804647173.db2.gz XSEBHPJNMLSXTI-PKOBYXMFSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)ccc2n1 ZINC001141485304 804647179 /nfs/dbraw/zinc/64/71/79/804647179.db2.gz XSEBHPJNMLSXTI-PKOBYXMFSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1c(O)cccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001144120921 804939936 /nfs/dbraw/zinc/93/99/36/804939936.db2.gz CMHZSBIKGUENBG-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP Cc1[nH+]c2ccccn2c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249585010 805182075 /nfs/dbraw/zinc/18/20/75/805182075.db2.gz SZDVQPUHVJUTDF-UHFFFAOYSA-N 2 2 292.264 3.222 20 0 CGADLP CC(C)[NH+]1CCC(CNc2c[nH+]c3c(c2)CCC3)CC1 ZINC001166616021 807069200 /nfs/dbraw/zinc/06/92/00/807069200.db2.gz QWYLTMQNODETRR-UHFFFAOYSA-N 2 2 273.424 3.103 20 0 CGADLP CC(C)OC1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001257883219 807236203 /nfs/dbraw/zinc/23/62/03/807236203.db2.gz SSFWVHZSPUDXFF-QQFBHYJXSA-N 2 2 291.439 3.259 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167918719 807273277 /nfs/dbraw/zinc/27/32/77/807273277.db2.gz YNVRODXBYFIGDZ-MLHJIOFPSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167918719 807273280 /nfs/dbraw/zinc/27/32/80/807273280.db2.gz YNVRODXBYFIGDZ-MLHJIOFPSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)nc1 ZINC001167966337 807288605 /nfs/dbraw/zinc/28/86/05/807288605.db2.gz UIFBSRWPTKBRSM-ALOPSCKCSA-N 2 2 297.446 3.066 20 0 CGADLP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)nc1 ZINC001167966337 807288611 /nfs/dbraw/zinc/28/86/11/807288611.db2.gz UIFBSRWPTKBRSM-ALOPSCKCSA-N 2 2 297.446 3.066 20 0 CGADLP CC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211752 807352095 /nfs/dbraw/zinc/35/20/95/807352095.db2.gz IHTNAMOEHBHLJN-FTJRRQOFSA-N 2 2 299.462 3.024 20 0 CGADLP CC(C)[N@H+](C1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC001168225179 807356795 /nfs/dbraw/zinc/35/67/95/807356795.db2.gz UNGDTYLNTRZZJK-UHFFFAOYSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+](C1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC001168225179 807356802 /nfs/dbraw/zinc/35/68/02/807356802.db2.gz UNGDTYLNTRZZJK-UHFFFAOYSA-N 2 2 252.446 3.370 20 0 CGADLP C1CC([N@@H+]2CC[C@H]([NH2+]C3CCCCCCC3)C2)C1 ZINC001258236032 807381688 /nfs/dbraw/zinc/38/16/88/807381688.db2.gz KOBXKWHJPWWMDN-HNNXBMFYSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC([N@H+]2CC[C@H]([NH2+]C3CCCCCCC3)C2)C1 ZINC001258236032 807381697 /nfs/dbraw/zinc/38/16/97/807381697.db2.gz KOBXKWHJPWWMDN-HNNXBMFYSA-N 2 2 250.430 3.316 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCCCC3)C[C@@H]21 ZINC001258242990 807385088 /nfs/dbraw/zinc/38/50/88/807385088.db2.gz CWEUFYXSRFXERN-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCCCC3)C[C@@H]21 ZINC001258242990 807385096 /nfs/dbraw/zinc/38/50/96/807385096.db2.gz CWEUFYXSRFXERN-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242990 807385103 /nfs/dbraw/zinc/38/51/03/807385103.db2.gz CWEUFYXSRFXERN-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCCCC3)C[C@@H]21 ZINC001258242990 807385112 /nfs/dbraw/zinc/38/51/12/807385112.db2.gz CWEUFYXSRFXERN-ZBFHGGJFSA-N 2 2 250.430 3.125 20 0 CGADLP Cc1c(F)ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1F ZINC001168360144 807392558 /nfs/dbraw/zinc/39/25/58/807392558.db2.gz KQZJOOSSFQFTHS-UHFFFAOYSA-N 2 2 294.389 3.237 20 0 CGADLP Cc1[nH+]c2c(n1[C@H]1CCCC(C)(C)C1)CC[NH2+]CC2 ZINC001258285094 807396213 /nfs/dbraw/zinc/39/62/13/807396213.db2.gz JWHXNNDJYFBZJL-ZDUSSCGKSA-N 2 2 261.413 3.021 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001168387268 807399225 /nfs/dbraw/zinc/39/92/25/807399225.db2.gz AZPRRIYGGMDMJJ-RDJZCZTQSA-N 2 2 262.441 3.125 20 0 CGADLP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001168387268 807399233 /nfs/dbraw/zinc/39/92/33/807399233.db2.gz AZPRRIYGGMDMJJ-RDJZCZTQSA-N 2 2 262.441 3.125 20 0 CGADLP CCCCC[C@H](CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258446152 807454698 /nfs/dbraw/zinc/45/46/98/807454698.db2.gz OGOIJXVCSWNHGN-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@H](CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258446152 807454700 /nfs/dbraw/zinc/45/47/00/807454700.db2.gz OGOIJXVCSWNHGN-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168685086 807479086 /nfs/dbraw/zinc/47/90/86/807479086.db2.gz NLLZAGNIUWTXNX-AWEZNQCLSA-N 2 2 280.843 3.129 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168685086 807479091 /nfs/dbraw/zinc/47/90/91/807479091.db2.gz NLLZAGNIUWTXNX-AWEZNQCLSA-N 2 2 280.843 3.129 20 0 CGADLP CCCCC[C@H](CCC)[NH2+]CCc1[nH+]ccn1C ZINC001258667612 807534789 /nfs/dbraw/zinc/53/47/89/807534789.db2.gz PLYLRGAOLJMYIO-AWEZNQCLSA-N 2 2 251.418 3.301 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691194 807547050 /nfs/dbraw/zinc/54/70/50/807547050.db2.gz ZGFFXIWGMGRXMD-JYJNAYRXSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC(C)(C)C1 ZINC001258691194 807547056 /nfs/dbraw/zinc/54/70/56/807547056.db2.gz ZGFFXIWGMGRXMD-JYJNAYRXSA-N 2 2 294.483 3.044 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001169091878 807571772 /nfs/dbraw/zinc/57/17/72/807571772.db2.gz WVSPUXUSDVWCCH-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)C2 ZINC001169091878 807571776 /nfs/dbraw/zinc/57/17/76/807571776.db2.gz WVSPUXUSDVWCCH-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258743513 807587589 /nfs/dbraw/zinc/58/75/89/807587589.db2.gz FXCIGRGLRPXQNK-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258743513 807587593 /nfs/dbraw/zinc/58/75/93/807587593.db2.gz FXCIGRGLRPXQNK-CJNGLKHVSA-N 2 2 280.843 3.345 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001169145290 807590217 /nfs/dbraw/zinc/59/02/17/807590217.db2.gz MGBGFSPPVDZZPN-CAOSSQGBSA-N 2 2 280.431 3.216 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)C2 ZINC001169145290 807590223 /nfs/dbraw/zinc/59/02/23/807590223.db2.gz MGBGFSPPVDZZPN-CAOSSQGBSA-N 2 2 280.431 3.216 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258752741 807594228 /nfs/dbraw/zinc/59/42/28/807594228.db2.gz GRMGIYHZWDJIDR-CQSZACIVSA-N 2 2 292.854 3.441 20 0 CGADLP CCCC[C@H](CCC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258763353 807600501 /nfs/dbraw/zinc/60/05/01/807600501.db2.gz OIFSHDBCKGTVBH-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC[C@H](CCC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258763353 807600503 /nfs/dbraw/zinc/60/05/03/807600503.db2.gz OIFSHDBCKGTVBH-INIZCTEOSA-N 2 2 284.488 3.388 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001169258771 807617212 /nfs/dbraw/zinc/61/72/12/807617212.db2.gz RBTATMRDFIZVIS-KRWDZBQOSA-N 2 2 276.399 3.447 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2F)CC1 ZINC001169258771 807617214 /nfs/dbraw/zinc/61/72/14/807617214.db2.gz RBTATMRDFIZVIS-KRWDZBQOSA-N 2 2 276.399 3.447 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258796115 807617961 /nfs/dbraw/zinc/61/79/61/807617961.db2.gz XHMCWQJVKGPKPA-ZWKOTPCHSA-N 3 2 299.547 3.407 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001258797388 807619256 /nfs/dbraw/zinc/61/92/56/807619256.db2.gz MHENJNKJVUYORM-GJZGRUSLSA-N 2 2 251.418 3.420 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001258797388 807619260 /nfs/dbraw/zinc/61/92/60/807619260.db2.gz MHENJNKJVUYORM-GJZGRUSLSA-N 2 2 251.418 3.420 20 0 CGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001258831099 807646807 /nfs/dbraw/zinc/64/68/07/807646807.db2.gz ZGFUWBMOOFQLJI-GDBMZVCRSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001258831099 807646813 /nfs/dbraw/zinc/64/68/13/807646813.db2.gz ZGFUWBMOOFQLJI-GDBMZVCRSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258843724 807655530 /nfs/dbraw/zinc/65/55/30/807655530.db2.gz GGUVJNUQRKKVPS-QGZVFWFLSA-N 2 2 279.387 3.445 20 0 CGADLP Cc1cc(NC(C)(C)CC[NH+](C)C)[nH+]c2cc[nH]c21 ZINC001169717643 807696517 /nfs/dbraw/zinc/69/65/17/807696517.db2.gz GVCSPKFMCNURIO-UHFFFAOYSA-N 2 2 260.385 3.014 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC001261423817 807742870 /nfs/dbraw/zinc/74/28/70/807742870.db2.gz FTSYRRCXVZTCIP-CHWSQXEVSA-N 2 2 289.448 3.459 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001170087991 807751545 /nfs/dbraw/zinc/75/15/45/807751545.db2.gz NJHMXOMKRNIFDP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001170087991 807751550 /nfs/dbraw/zinc/75/15/50/807751550.db2.gz NJHMXOMKRNIFDP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001170087991 807751556 /nfs/dbraw/zinc/75/15/56/807751556.db2.gz NJHMXOMKRNIFDP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001170087991 807751560 /nfs/dbraw/zinc/75/15/60/807751560.db2.gz NJHMXOMKRNIFDP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H]1C[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001170194682 807791369 /nfs/dbraw/zinc/79/13/69/807791369.db2.gz XUCMWYORSRBKSD-CVEARBPZSA-N 2 2 285.391 3.139 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239415 807799293 /nfs/dbraw/zinc/79/92/93/807799293.db2.gz ADRHDJLOMFUVKG-ZWKOTPCHSA-N 2 2 294.483 3.283 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CCO1 ZINC001170239415 807799297 /nfs/dbraw/zinc/79/92/97/807799297.db2.gz ADRHDJLOMFUVKG-ZWKOTPCHSA-N 2 2 294.483 3.283 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001170262438 807807035 /nfs/dbraw/zinc/80/70/35/807807035.db2.gz YYRRJKKVXMWWQQ-CJNGLKHVSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001170262438 807807042 /nfs/dbraw/zinc/80/70/42/807807042.db2.gz YYRRJKKVXMWWQQ-CJNGLKHVSA-N 2 2 292.854 3.345 20 0 CGADLP CNc1ccc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c[nH+]1 ZINC001171170472 808000149 /nfs/dbraw/zinc/00/01/49/808000149.db2.gz WWUSPXDRLDUXBR-ZDUSSCGKSA-N 2 2 294.402 3.265 20 0 CGADLP CC(C)c1cc(NC[C@@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC001171328913 808028560 /nfs/dbraw/zinc/02/85/60/808028560.db2.gz CWXQHKYQZODJTP-ZDUSSCGKSA-N 2 2 276.428 3.277 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171550184 808091906 /nfs/dbraw/zinc/09/19/06/808091906.db2.gz JXEKKQCSHKSIGQ-QGZVFWFLSA-N 2 2 274.452 3.174 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171550184 808091914 /nfs/dbraw/zinc/09/19/14/808091914.db2.gz JXEKKQCSHKSIGQ-QGZVFWFLSA-N 2 2 274.452 3.174 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1(C)C ZINC001171629868 808108062 /nfs/dbraw/zinc/10/80/62/808108062.db2.gz XSXAJBXUAXNJAP-ZBFHGGJFSA-N 2 2 294.483 3.139 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1(C)C ZINC001171629868 808108066 /nfs/dbraw/zinc/10/80/66/808108066.db2.gz XSXAJBXUAXNJAP-ZBFHGGJFSA-N 2 2 294.483 3.139 20 0 CGADLP F[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074935 808169605 /nfs/dbraw/zinc/16/96/05/808169605.db2.gz ZALKRKQWWMIDFW-CWQOZTLDSA-N 2 2 288.410 3.272 20 0 CGADLP F[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074935 808169609 /nfs/dbraw/zinc/16/96/09/808169609.db2.gz ZALKRKQWWMIDFW-CWQOZTLDSA-N 2 2 288.410 3.272 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001172827522 808449224 /nfs/dbraw/zinc/44/92/24/808449224.db2.gz CAUAQIQKUHUKLJ-PMACEKPBSA-N 2 2 298.474 3.316 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001172827522 808449226 /nfs/dbraw/zinc/44/92/26/808449226.db2.gz CAUAQIQKUHUKLJ-PMACEKPBSA-N 2 2 298.474 3.316 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172844916 808459535 /nfs/dbraw/zinc/45/95/35/808459535.db2.gz VRJCKHJPGBCVFP-GOSISDBHSA-N 2 2 283.419 3.071 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172844916 808459537 /nfs/dbraw/zinc/45/95/37/808459537.db2.gz VRJCKHJPGBCVFP-GOSISDBHSA-N 2 2 283.419 3.071 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172849464 808461553 /nfs/dbraw/zinc/46/15/53/808461553.db2.gz MWMQPLHTADZEPA-LBPRGKRZSA-N 2 2 298.833 3.436 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172849464 808461557 /nfs/dbraw/zinc/46/15/57/808461557.db2.gz MWMQPLHTADZEPA-LBPRGKRZSA-N 2 2 298.833 3.436 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198626 808534725 /nfs/dbraw/zinc/53/47/25/808534725.db2.gz XNBNROKBBDKFOA-UPTPFMHGSA-N 2 2 288.435 3.060 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198626 808534731 /nfs/dbraw/zinc/53/47/31/808534731.db2.gz XNBNROKBBDKFOA-UPTPFMHGSA-N 2 2 288.435 3.060 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]CC[NH+](CC)CC)cc1 ZINC001173237758 808545619 /nfs/dbraw/zinc/54/56/19/808545619.db2.gz MDNAUGNRFNHWFF-HNNXBMFYSA-N 2 2 262.441 3.111 20 0 CGADLP CC[C@H]1CC[C@@H](n2c[nH+]c(C)c2CSCC[NH3+])C1 ZINC001173263806 808568751 /nfs/dbraw/zinc/56/87/51/808568751.db2.gz NFGZNOLFJUJZAA-QWHCGFSZSA-N 2 2 267.442 3.135 20 0 CGADLP CC[C@@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173285841 808587354 /nfs/dbraw/zinc/58/73/54/808587354.db2.gz ZFORFYQSKUFVLK-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP Nc1[nH+]c2ccccc2n1-c1cc[nH+]c2ccccc21 ZINC001174036823 808834368 /nfs/dbraw/zinc/83/43/68/808834368.db2.gz GPESANUGXGLIFD-UHFFFAOYSA-N 2 2 260.300 3.156 20 0 CGADLP CCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275103500 808909025 /nfs/dbraw/zinc/90/90/25/808909025.db2.gz LHOMFIDPBJPLKS-QGZVFWFLSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275103500 808909033 /nfs/dbraw/zinc/90/90/33/808909033.db2.gz LHOMFIDPBJPLKS-QGZVFWFLSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275103500 808909042 /nfs/dbraw/zinc/90/90/42/808909042.db2.gz LHOMFIDPBJPLKS-QGZVFWFLSA-N 2 2 275.440 3.103 20 0 CGADLP CCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275103500 808909052 /nfs/dbraw/zinc/90/90/52/808909052.db2.gz LHOMFIDPBJPLKS-QGZVFWFLSA-N 2 2 275.440 3.103 20 0 CGADLP Cc1[nH+]c2ccccn2c1Nc1ccc2[nH+]ccn2c1 ZINC001174277236 808925640 /nfs/dbraw/zinc/92/56/40/808925640.db2.gz PATRVUDLJYIGIZ-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631274 809022318 /nfs/dbraw/zinc/02/23/18/809022318.db2.gz VFSXGJSTWLXHMO-IRWJRLHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631274 809022326 /nfs/dbraw/zinc/02/23/26/809022326.db2.gz VFSXGJSTWLXHMO-IRWJRLHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631274 809022334 /nfs/dbraw/zinc/02/23/34/809022334.db2.gz VFSXGJSTWLXHMO-IRWJRLHMSA-N 2 2 290.838 3.079 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631274 809022342 /nfs/dbraw/zinc/02/23/42/809022342.db2.gz VFSXGJSTWLXHMO-IRWJRLHMSA-N 2 2 290.838 3.079 20 0 CGADLP Cc1cc(C)c(Nc2cc[nH+]c(N3CCCC3)c2)c[nH+]1 ZINC001213508431 815293245 /nfs/dbraw/zinc/29/32/45/815293245.db2.gz SCNGQCNZLSDCNO-UHFFFAOYSA-N 2 2 268.364 3.437 20 0 CGADLP [NH3+]Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001175967349 809585192 /nfs/dbraw/zinc/58/51/92/809585192.db2.gz NRCKFSUCUDACMW-UHFFFAOYSA-N 2 2 282.391 3.274 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCc2ccccc2CC1 ZINC001177222465 809788401 /nfs/dbraw/zinc/78/84/01/809788401.db2.gz KSOKHPXUEKMCET-INIZCTEOSA-N 2 2 286.463 3.398 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001179139503 809906415 /nfs/dbraw/zinc/90/64/15/809906415.db2.gz JLKUIKVRALTYMT-ARFHVFGLSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001179139503 809906416 /nfs/dbraw/zinc/90/64/16/809906416.db2.gz JLKUIKVRALTYMT-ARFHVFGLSA-N 2 2 264.457 3.441 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC001181586841 810060977 /nfs/dbraw/zinc/06/09/77/810060977.db2.gz DONCAHAFEFBPNL-XHSDSOJGSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC001181586841 810060981 /nfs/dbraw/zinc/06/09/81/810060981.db2.gz DONCAHAFEFBPNL-XHSDSOJGSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918014 810130744 /nfs/dbraw/zinc/13/07/44/810130744.db2.gz HHUDJPZJYLIEFC-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918014 810130748 /nfs/dbraw/zinc/13/07/48/810130748.db2.gz HHUDJPZJYLIEFC-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP CC[NH+](CC)[C@H](C)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001186350642 810330611 /nfs/dbraw/zinc/33/06/11/810330611.db2.gz GLMRNOOVNGVAPS-CYBMUJFWSA-N 2 2 276.428 3.195 20 0 CGADLP CC[C@H](C)[N@@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC001190628115 810640429 /nfs/dbraw/zinc/64/04/29/810640429.db2.gz RKYFLJJTXKUQCO-HNNXBMFYSA-N 2 2 289.398 3.365 20 0 CGADLP CC[C@H](C)[N@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC001190628115 810640431 /nfs/dbraw/zinc/64/04/31/810640431.db2.gz RKYFLJJTXKUQCO-HNNXBMFYSA-N 2 2 289.398 3.365 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001199208197 811563408 /nfs/dbraw/zinc/56/34/08/811563408.db2.gz MDGSPAFXQYVZRI-NSHDSACASA-N 2 2 297.374 3.376 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201497023 811866074 /nfs/dbraw/zinc/86/60/74/811866074.db2.gz TZPSHTRTTOCOFH-BBWFWOEESA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201497023 811866084 /nfs/dbraw/zinc/86/60/84/811866084.db2.gz TZPSHTRTTOCOFH-BBWFWOEESA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201497023 811866094 /nfs/dbraw/zinc/86/60/94/811866094.db2.gz TZPSHTRTTOCOFH-BBWFWOEESA-N 2 2 264.457 3.395 20 0 CGADLP CC(C)=CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201497023 811866105 /nfs/dbraw/zinc/86/61/05/811866105.db2.gz TZPSHTRTTOCOFH-BBWFWOEESA-N 2 2 264.457 3.395 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001202114867 812017044 /nfs/dbraw/zinc/01/70/44/812017044.db2.gz GNXPPWPCOOLFEP-AWEZNQCLSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001202114867 812017054 /nfs/dbraw/zinc/01/70/54/812017054.db2.gz GNXPPWPCOOLFEP-AWEZNQCLSA-N 2 2 262.397 3.279 20 0 CGADLP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283736 812291600 /nfs/dbraw/zinc/29/16/00/812291600.db2.gz MQXQZYCIUJSFGH-MSOLQXFVSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283736 812291608 /nfs/dbraw/zinc/29/16/08/812291608.db2.gz MQXQZYCIUJSFGH-MSOLQXFVSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283736 812291613 /nfs/dbraw/zinc/29/16/13/812291613.db2.gz MQXQZYCIUJSFGH-MSOLQXFVSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283736 812291618 /nfs/dbraw/zinc/29/16/18/812291618.db2.gz MQXQZYCIUJSFGH-MSOLQXFVSA-N 2 2 296.414 3.234 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001203360140 812322855 /nfs/dbraw/zinc/32/28/55/812322855.db2.gz SLEBAJRFBXSTRQ-HNNXBMFYSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001203360140 812322865 /nfs/dbraw/zinc/32/28/65/812322865.db2.gz SLEBAJRFBXSTRQ-HNNXBMFYSA-N 2 2 286.350 3.182 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001203803127 812466903 /nfs/dbraw/zinc/46/69/03/812466903.db2.gz PQANBZBCBWUDGQ-GJZGRUSLSA-N 2 2 278.827 3.114 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001204044279 812532483 /nfs/dbraw/zinc/53/24/83/812532483.db2.gz HAUIUZCEZGZPNR-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001204044279 812532487 /nfs/dbraw/zinc/53/24/87/812532487.db2.gz HAUIUZCEZGZPNR-CQSZACIVSA-N 2 2 274.389 3.105 20 0 CGADLP CC(C)[N@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC001204232762 812580251 /nfs/dbraw/zinc/58/02/51/812580251.db2.gz RMNKTACEOXSZOF-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC001204232762 812580253 /nfs/dbraw/zinc/58/02/53/812580253.db2.gz RMNKTACEOXSZOF-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC001204326904 812614786 /nfs/dbraw/zinc/61/47/86/812614786.db2.gz ZDTRCBFCQUYZPG-UHFFFAOYSA-N 2 2 294.402 3.212 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC001204445661 812642049 /nfs/dbraw/zinc/64/20/49/812642049.db2.gz LECNYKIIHIISPZ-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC001204445661 812642054 /nfs/dbraw/zinc/64/20/54/812642054.db2.gz LECNYKIIHIISPZ-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204684680 812708406 /nfs/dbraw/zinc/70/84/06/812708406.db2.gz LATUHYVQCJBMTM-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204684680 812708410 /nfs/dbraw/zinc/70/84/10/812708410.db2.gz LATUHYVQCJBMTM-UHFFFAOYSA-N 2 2 296.414 3.158 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC001204931905 812782700 /nfs/dbraw/zinc/78/27/00/812782700.db2.gz GHLVKNZLVXEZOE-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC001204931905 812782701 /nfs/dbraw/zinc/78/27/01/812782701.db2.gz GHLVKNZLVXEZOE-MRXNPFEDSA-N 2 2 276.424 3.095 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947246 812793022 /nfs/dbraw/zinc/79/30/22/812793022.db2.gz WWUFJQHNSYRSFJ-HNNXBMFYSA-N 2 2 264.438 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204947246 812793025 /nfs/dbraw/zinc/79/30/25/812793025.db2.gz WWUFJQHNSYRSFJ-HNNXBMFYSA-N 2 2 264.438 3.112 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204947174 812793260 /nfs/dbraw/zinc/79/32/60/812793260.db2.gz WJMQBHVMOPPXJA-IBGZPJMESA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204947174 812793262 /nfs/dbraw/zinc/79/32/62/812793262.db2.gz WJMQBHVMOPPXJA-IBGZPJMESA-N 2 2 295.430 3.370 20 0 CGADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cnc1-c1ccccc1 ZINC001205087212 812855793 /nfs/dbraw/zinc/85/57/93/812855793.db2.gz ARCJVJVKFIFNPA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cnc1-c1ccccc1 ZINC001205087212 812855803 /nfs/dbraw/zinc/85/58/03/812855803.db2.gz ARCJVJVKFIFNPA-YJBOKZPZSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(F)cc1Cl ZINC001205297085 812938127 /nfs/dbraw/zinc/93/81/27/812938127.db2.gz YRRSVHDPKZYTGH-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(F)cc1Cl ZINC001205297085 812938134 /nfs/dbraw/zinc/93/81/34/812938134.db2.gz YRRSVHDPKZYTGH-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205817355 813095733 /nfs/dbraw/zinc/09/57/33/813095733.db2.gz QJFWLYSWDOILGP-GXTWGEPZSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205817355 813095742 /nfs/dbraw/zinc/09/57/42/813095742.db2.gz QJFWLYSWDOILGP-GXTWGEPZSA-N 2 2 271.408 3.036 20 0 CGADLP Cc1cccnc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001205821135 813096209 /nfs/dbraw/zinc/09/62/09/813096209.db2.gz CVSVWMRJLDYBBJ-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cccnc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001205821135 813096216 /nfs/dbraw/zinc/09/62/16/813096216.db2.gz CVSVWMRJLDYBBJ-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205842848 813103831 /nfs/dbraw/zinc/10/38/31/813103831.db2.gz PQKRICNAAXLTKB-KBXCAEBGSA-N 2 2 298.430 3.408 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205842848 813103838 /nfs/dbraw/zinc/10/38/38/813103838.db2.gz PQKRICNAAXLTKB-KBXCAEBGSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001205903031 813124993 /nfs/dbraw/zinc/12/49/93/813124993.db2.gz NDNBMCMFNJJWKQ-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001205903031 813124997 /nfs/dbraw/zinc/12/49/97/813124997.db2.gz NDNBMCMFNJJWKQ-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205932715 813139018 /nfs/dbraw/zinc/13/90/18/813139018.db2.gz TWZIFJFTTIEFHV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]([NH3+])C2)c1 ZINC001205932715 813139022 /nfs/dbraw/zinc/13/90/22/813139022.db2.gz TWZIFJFTTIEFHV-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206378346 813308236 /nfs/dbraw/zinc/30/82/36/813308236.db2.gz GERAVNIACXYLDB-MRXNPFEDSA-N 2 2 296.455 3.452 20 0 CGADLP CCSc1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206378346 813308243 /nfs/dbraw/zinc/30/82/43/813308243.db2.gz GERAVNIACXYLDB-MRXNPFEDSA-N 2 2 296.455 3.452 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206380081 813309448 /nfs/dbraw/zinc/30/94/48/813309448.db2.gz MMSSWMCLDVCMEV-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206380081 813309453 /nfs/dbraw/zinc/30/94/53/813309453.db2.gz MMSSWMCLDVCMEV-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001206548267 813348041 /nfs/dbraw/zinc/34/80/41/813348041.db2.gz ILSAPDXOHLLLDQ-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001206548267 813348050 /nfs/dbraw/zinc/34/80/50/813348050.db2.gz ILSAPDXOHLLLDQ-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001206549826 813348101 /nfs/dbraw/zinc/34/81/01/813348101.db2.gz QGYVFXWSJAENMF-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001206549826 813348108 /nfs/dbraw/zinc/34/81/08/813348108.db2.gz QGYVFXWSJAENMF-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1F ZINC001206548784 813348164 /nfs/dbraw/zinc/34/81/64/813348164.db2.gz IZAADEILUKFCJU-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(F)c1F ZINC001206548784 813348170 /nfs/dbraw/zinc/34/81/70/813348170.db2.gz IZAADEILUKFCJU-MRXNPFEDSA-N 2 2 282.378 3.224 20 0 CGADLP Cc1[nH+]c2c(Nc3c[nH+]c(N(C)C)cc3C)cccn2c1C ZINC001206736433 813412278 /nfs/dbraw/zinc/41/22/78/813412278.db2.gz GNLVMKPYKYZPLU-UHFFFAOYSA-N 2 2 295.390 3.464 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771027 813432619 /nfs/dbraw/zinc/43/26/19/813432619.db2.gz VSLFJDDWOSYQEH-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771027 813432622 /nfs/dbraw/zinc/43/26/22/813432622.db2.gz VSLFJDDWOSYQEH-QWHCGFSZSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC3(CCc4ccccc43)CC2)n1C ZINC001206793462 813437539 /nfs/dbraw/zinc/43/75/39/813437539.db2.gz XTMJONIRBLSBCC-UHFFFAOYSA-N 2 2 295.430 3.209 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1(C)C ZINC001207275422 813529940 /nfs/dbraw/zinc/52/99/40/813529940.db2.gz IVXFQEDCSPVGJG-BRWVUGGUSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1(C)C ZINC001207275422 813529942 /nfs/dbraw/zinc/52/99/42/813529942.db2.gz IVXFQEDCSPVGJG-BRWVUGGUSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1(C)C ZINC001207275422 813529950 /nfs/dbraw/zinc/52/99/50/813529950.db2.gz IVXFQEDCSPVGJG-BRWVUGGUSA-N 2 2 276.468 3.395 20 0 CGADLP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1(C)C ZINC001207275422 813529952 /nfs/dbraw/zinc/52/99/52/813529952.db2.gz IVXFQEDCSPVGJG-BRWVUGGUSA-N 2 2 276.468 3.395 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccc(C(C)C)cc1)C2 ZINC001207518833 813583629 /nfs/dbraw/zinc/58/36/29/813583629.db2.gz IBWMQQRZKNNDJX-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccc(C(C)C)cc1)C2 ZINC001207518833 813583634 /nfs/dbraw/zinc/58/36/34/813583634.db2.gz IBWMQQRZKNNDJX-UHFFFAOYSA-N 2 2 283.419 3.373 20 0 CGADLP CC[N@H+](CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001207601554 813608581 /nfs/dbraw/zinc/60/85/81/813608581.db2.gz HINKWHVIMANUFR-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC[N@@H+](CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC001207601554 813608584 /nfs/dbraw/zinc/60/85/84/813608584.db2.gz HINKWHVIMANUFR-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP c1cn(C2CC[NH+](CC3(c4ccccc4)CC3)CC2)c[nH+]1 ZINC001207839740 813659562 /nfs/dbraw/zinc/65/95/62/813659562.db2.gz WQYGXTWVSNWDSF-UHFFFAOYSA-N 2 2 281.403 3.252 20 0 CGADLP CC[N@H+](C[C@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207907809 813668969 /nfs/dbraw/zinc/66/89/69/813668969.db2.gz XZYRMOALACWXIH-HNNXBMFYSA-N 2 2 260.425 3.206 20 0 CGADLP CC[N@@H+](C[C@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001207907809 813668972 /nfs/dbraw/zinc/66/89/72/813668972.db2.gz XZYRMOALACWXIH-HNNXBMFYSA-N 2 2 260.425 3.206 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)o1 ZINC001208171233 813724202 /nfs/dbraw/zinc/72/42/02/813724202.db2.gz ZEESREXWAHYRSL-KBMXLJTQSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)o1 ZINC001208171233 813724204 /nfs/dbraw/zinc/72/42/04/813724204.db2.gz ZEESREXWAHYRSL-KBMXLJTQSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)o1 ZINC001208171233 813724210 /nfs/dbraw/zinc/72/42/10/813724210.db2.gz ZEESREXWAHYRSL-KBMXLJTQSA-N 2 2 276.424 3.108 20 0 CGADLP Cc1ccc([C@H](C)CC[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)o1 ZINC001208171233 813724213 /nfs/dbraw/zinc/72/42/13/813724213.db2.gz ZEESREXWAHYRSL-KBMXLJTQSA-N 2 2 276.424 3.108 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612713 813775619 /nfs/dbraw/zinc/77/56/19/813775619.db2.gz NIOJYYHZJBKFCY-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612713 813775623 /nfs/dbraw/zinc/77/56/23/813775623.db2.gz NIOJYYHZJBKFCY-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612713 813775629 /nfs/dbraw/zinc/77/56/29/813775629.db2.gz NIOJYYHZJBKFCY-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001208612713 813775634 /nfs/dbraw/zinc/77/56/34/813775634.db2.gz NIOJYYHZJBKFCY-ZDUSSCGKSA-N 2 2 278.827 3.040 20 0 CGADLP C[C@H](C[NH+]1CCC(Oc2cc[nH+]cc2)CC1)C(F)(F)F ZINC001208896547 813887515 /nfs/dbraw/zinc/88/75/15/813887515.db2.gz WQBATPCIGLBLIA-LLVKDONJSA-N 2 2 288.313 3.123 20 0 CGADLP Fc1cc(F)cc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001209134646 813944311 /nfs/dbraw/zinc/94/43/11/813944311.db2.gz BZOLAZQVDXRPIT-UHFFFAOYSA-N 2 2 291.345 3.041 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242675068 823094907 /nfs/dbraw/zinc/09/49/07/823094907.db2.gz CQEJDCTYPSEDSQ-UHFFFAOYSA-N 2 2 275.355 3.357 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c2c1 ZINC001209499246 814064052 /nfs/dbraw/zinc/06/40/52/814064052.db2.gz LMHFCHKPBZEBBW-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c2c1 ZINC001209499246 814064065 /nfs/dbraw/zinc/06/40/65/814064065.db2.gz LMHFCHKPBZEBBW-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c2c1 ZINC001209499246 814064069 /nfs/dbraw/zinc/06/40/69/814064069.db2.gz LMHFCHKPBZEBBW-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c2c1 ZINC001209499246 814064075 /nfs/dbraw/zinc/06/40/75/814064075.db2.gz LMHFCHKPBZEBBW-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cc(N)[nH+]cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001209966585 814218355 /nfs/dbraw/zinc/21/83/55/814218355.db2.gz AZKOFWUQYRQZRK-UHFFFAOYSA-N 2 2 283.379 3.101 20 0 CGADLP Cc1[nH+]cc(Nc2cc[nH+]c(C(C)(C)C)c2)cc1N ZINC001210287317 814381417 /nfs/dbraw/zinc/38/14/17/814381417.db2.gz QUCAHRDAPJTPBX-UHFFFAOYSA-N 2 2 256.353 3.408 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210496580 814489665 /nfs/dbraw/zinc/48/96/65/814489665.db2.gz ISTREMLRJQMKGE-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC001210496580 814489668 /nfs/dbraw/zinc/48/96/68/814489668.db2.gz ISTREMLRJQMKGE-CQSZACIVSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc[nH+]c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001210705152 814589434 /nfs/dbraw/zinc/58/94/34/814589434.db2.gz PPWPIHXRTYAULU-OAHLLOKOSA-N 2 2 257.381 3.334 20 0 CGADLP C[NH2+]Cc1cccc(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001211138285 814837056 /nfs/dbraw/zinc/83/70/56/814837056.db2.gz BRMZWTIQCZFMMT-UHFFFAOYSA-N 2 2 266.348 3.036 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222344805 816413899 /nfs/dbraw/zinc/41/38/99/816413899.db2.gz CTMHQCUMNGZZBI-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222344805 816413905 /nfs/dbraw/zinc/41/39/05/816413905.db2.gz CTMHQCUMNGZZBI-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422731 816441523 /nfs/dbraw/zinc/44/15/23/816441523.db2.gz XSEQJRVANYYIMO-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422731 816441526 /nfs/dbraw/zinc/44/15/26/816441526.db2.gz XSEQJRVANYYIMO-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP CC(C)=CCCC1=CC[C@H](C[NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001222460706 816450150 /nfs/dbraw/zinc/45/01/50/816450150.db2.gz AVEOHXVYWDXWNN-KRWDZBQOSA-N 2 2 274.452 3.365 20 0 CGADLP C[NH2+]Cc1ccc(-c2cc(F)c(C[NH+](C)C)c(F)c2)cc1 ZINC001242993498 823201928 /nfs/dbraw/zinc/20/19/28/823201928.db2.gz RMBRUGKTQKIXSR-UHFFFAOYSA-N 2 2 290.357 3.413 20 0 CGADLP C[NH+](C)Cc1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001225329450 817012596 /nfs/dbraw/zinc/01/25/96/817012596.db2.gz BPBXGXYDNZQECO-UHFFFAOYSA-N 2 2 296.414 3.011 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1C ZINC001231485018 818109210 /nfs/dbraw/zinc/10/92/10/818109210.db2.gz GLOUBXTZYJRWLZ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1C ZINC001231485018 818109214 /nfs/dbraw/zinc/10/92/14/818109214.db2.gz GLOUBXTZYJRWLZ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1C ZINC001231485018 818109219 /nfs/dbraw/zinc/10/92/19/818109219.db2.gz GLOUBXTZYJRWLZ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1C ZINC001231485018 818109223 /nfs/dbraw/zinc/10/92/23/818109223.db2.gz GLOUBXTZYJRWLZ-SJLPKXTDSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231877975 818198160 /nfs/dbraw/zinc/19/81/60/818198160.db2.gz CCVHFIRIRLPIHJ-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231877975 818198165 /nfs/dbraw/zinc/19/81/65/818198165.db2.gz CCVHFIRIRLPIHJ-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231877975 818198168 /nfs/dbraw/zinc/19/81/68/818198168.db2.gz CCVHFIRIRLPIHJ-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001231877975 818198170 /nfs/dbraw/zinc/19/81/70/818198170.db2.gz CCVHFIRIRLPIHJ-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2Cc3ccccc3C2)c1 ZINC001232145466 818263873 /nfs/dbraw/zinc/26/38/73/818263873.db2.gz UTNBYLPLQQWPJZ-UHFFFAOYSA-N 2 2 284.378 3.403 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccnc(C(C)(C)C)c1 ZINC001232221005 818282261 /nfs/dbraw/zinc/28/22/61/818282261.db2.gz UMJVBVQIKVJMRW-UHFFFAOYSA-N 2 2 277.456 3.153 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccnc(C(C)(C)C)c1 ZINC001232221005 818282263 /nfs/dbraw/zinc/28/22/63/818282263.db2.gz UMJVBVQIKVJMRW-UHFFFAOYSA-N 2 2 277.456 3.153 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)o1 ZINC001232447472 818352892 /nfs/dbraw/zinc/35/28/92/818352892.db2.gz WSBHCDYKOFESJJ-UHFFFAOYSA-N 2 2 292.345 3.462 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)o1 ZINC001232447472 818352898 /nfs/dbraw/zinc/35/28/98/818352898.db2.gz WSBHCDYKOFESJJ-UHFFFAOYSA-N 2 2 292.345 3.462 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2ncsc2c1 ZINC001232743628 818432795 /nfs/dbraw/zinc/43/27/95/818432795.db2.gz DSHVORKMEJHVCQ-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2ncsc2c1 ZINC001232743628 818432799 /nfs/dbraw/zinc/43/27/99/818432799.db2.gz DSHVORKMEJHVCQ-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233250910 818554007 /nfs/dbraw/zinc/55/40/07/818554007.db2.gz FHGWKEJAMGSMMA-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233251063 818557467 /nfs/dbraw/zinc/55/74/67/818557467.db2.gz MICQPRYUVOPZCA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233251063 818557471 /nfs/dbraw/zinc/55/74/71/818557471.db2.gz MICQPRYUVOPZCA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233251063 818557475 /nfs/dbraw/zinc/55/74/75/818557475.db2.gz MICQPRYUVOPZCA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3C)C[C@@H]2C1 ZINC001233251063 818557480 /nfs/dbraw/zinc/55/74/80/818557480.db2.gz MICQPRYUVOPZCA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CC[N@H+](Cc1cc(C)c(C)s1)C1CC[NH+](C)CC1 ZINC001233685750 818681222 /nfs/dbraw/zinc/68/12/22/818681222.db2.gz RZUQSDWLTCZUFK-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(C)s1)C1CC[NH+](C)CC1 ZINC001233685750 818681225 /nfs/dbraw/zinc/68/12/25/818681225.db2.gz RZUQSDWLTCZUFK-UHFFFAOYSA-N 2 2 266.454 3.281 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038476 818985814 /nfs/dbraw/zinc/98/58/14/818985814.db2.gz MZZJLGZIMWIKHP-LSDHHAIUSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038476 818985819 /nfs/dbraw/zinc/98/58/19/818985819.db2.gz MZZJLGZIMWIKHP-LSDHHAIUSA-N 2 2 298.352 3.074 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@]3(CC[NH2+]3)C2)cc1Cl ZINC001235063421 818993467 /nfs/dbraw/zinc/99/34/67/818993467.db2.gz FCTZZXSFSPHYDB-OAHLLOKOSA-N 2 2 299.245 3.364 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@]3(CC[NH2+]3)C2)cc1Cl ZINC001235063421 818993471 /nfs/dbraw/zinc/99/34/71/818993471.db2.gz FCTZZXSFSPHYDB-OAHLLOKOSA-N 2 2 299.245 3.364 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235157209 819019160 /nfs/dbraw/zinc/01/91/60/819019160.db2.gz CAURQHGHONRWOD-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC001235157209 819019163 /nfs/dbraw/zinc/01/91/63/819019163.db2.gz CAURQHGHONRWOD-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP C[C@H](C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235212987 819038761 /nfs/dbraw/zinc/03/87/61/819038761.db2.gz HMBKATXTSSDPBE-IDHHARJASA-N 2 2 280.415 3.237 20 0 CGADLP C[C@H](C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC001235212987 819038765 /nfs/dbraw/zinc/03/87/65/819038765.db2.gz HMBKATXTSSDPBE-IDHHARJASA-N 2 2 280.415 3.237 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001235244782 819045832 /nfs/dbraw/zinc/04/58/32/819045832.db2.gz KGSZUUUQKBHQBQ-CXAGYDPISA-N 2 2 299.443 3.123 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001235244782 819045837 /nfs/dbraw/zinc/04/58/37/819045837.db2.gz KGSZUUUQKBHQBQ-CXAGYDPISA-N 2 2 299.443 3.123 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)CO1 ZINC001235716127 819149961 /nfs/dbraw/zinc/14/99/61/819149961.db2.gz ZOFZPCMXDFWGEL-HOTGVXAUSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2cccc(F)c2)CO1 ZINC001235716127 819149965 /nfs/dbraw/zinc/14/99/65/819149965.db2.gz ZOFZPCMXDFWGEL-HOTGVXAUSA-N 2 2 292.398 3.077 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725644 819153558 /nfs/dbraw/zinc/15/35/58/819153558.db2.gz SSKITDKXEXQPCP-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725644 819153561 /nfs/dbraw/zinc/15/35/61/819153561.db2.gz SSKITDKXEXQPCP-INIZCTEOSA-N 2 2 260.425 3.297 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235901839 819211631 /nfs/dbraw/zinc/21/16/31/819211631.db2.gz FAILUZUZZRYJRU-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235901839 819211633 /nfs/dbraw/zinc/21/16/33/819211633.db2.gz FAILUZUZZRYJRU-PBHICJAKSA-N 2 2 260.425 3.341 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)c(C)cc1Br ZINC001235948812 819237685 /nfs/dbraw/zinc/23/76/85/819237685.db2.gz WNDGCYPPVPMFKL-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(SC(F)(F)F)cc1 ZINC001235947819 819237279 /nfs/dbraw/zinc/23/72/79/819237279.db2.gz GKOFSHLSIINWQQ-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(SC(F)(F)F)cc1 ZINC001235947819 819237282 /nfs/dbraw/zinc/23/72/82/819237282.db2.gz GKOFSHLSIINWQQ-UHFFFAOYSA-N 2 2 292.370 3.468 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)c(C)cc1Br ZINC001235948812 819237678 /nfs/dbraw/zinc/23/76/78/819237678.db2.gz WNDGCYPPVPMFKL-UHFFFAOYSA-N 2 2 299.256 3.235 20 0 CGADLP CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236010983 819273716 /nfs/dbraw/zinc/27/37/16/819273716.db2.gz VFUGLADBROUDFP-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236010983 819273721 /nfs/dbraw/zinc/27/37/21/819273721.db2.gz VFUGLADBROUDFP-KRWDZBQOSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)o1 ZINC001236047161 819284981 /nfs/dbraw/zinc/28/49/81/819284981.db2.gz LDODFLRLNHMMJL-CXAGYDPISA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@H](C)C[C@@H]([NH3+])C3)cc2)o1 ZINC001236047161 819284987 /nfs/dbraw/zinc/28/49/87/819284987.db2.gz LDODFLRLNHMMJL-CXAGYDPISA-N 2 2 284.403 3.424 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050392 819287361 /nfs/dbraw/zinc/28/73/61/819287361.db2.gz RNOQXNDKUUGZSN-KSSFIOAISA-N 2 2 297.446 3.075 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050392 819287366 /nfs/dbraw/zinc/28/73/66/819287366.db2.gz RNOQXNDKUUGZSN-KSSFIOAISA-N 2 2 297.446 3.075 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052597 819288550 /nfs/dbraw/zinc/28/85/50/819288550.db2.gz SWZROTXNUAFUGO-GUYCJALGSA-N 2 2 258.409 3.123 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052597 819288554 /nfs/dbraw/zinc/28/85/54/819288554.db2.gz SWZROTXNUAFUGO-GUYCJALGSA-N 2 2 258.409 3.123 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236052174 819289431 /nfs/dbraw/zinc/28/94/31/819289431.db2.gz OTVHXOJFCQMNBU-CZUORRHYSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236052174 819289437 /nfs/dbraw/zinc/28/94/37/819289437.db2.gz OTVHXOJFCQMNBU-CZUORRHYSA-N 2 2 290.451 3.260 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236067143 819298231 /nfs/dbraw/zinc/29/82/31/819298231.db2.gz MRWUAKSIVRXPLF-LLVKDONJSA-N 2 2 287.234 3.077 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236067143 819298235 /nfs/dbraw/zinc/29/82/35/819298235.db2.gz MRWUAKSIVRXPLF-LLVKDONJSA-N 2 2 287.234 3.077 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC[NH2+]1 ZINC001236095364 819313744 /nfs/dbraw/zinc/31/37/44/819313744.db2.gz SDSGHSMDDSAWQP-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC[NH2+]1 ZINC001236095364 819313748 /nfs/dbraw/zinc/31/37/48/819313748.db2.gz SDSGHSMDDSAWQP-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC001236207392 819369934 /nfs/dbraw/zinc/36/99/34/819369934.db2.gz PIMLVKRQSVFGMC-GOSISDBHSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1OC(C)C ZINC001236207392 819369937 /nfs/dbraw/zinc/36/99/37/819369937.db2.gz PIMLVKRQSVFGMC-GOSISDBHSA-N 2 2 290.451 3.356 20 0 CGADLP CC(C)Oc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208573 819370304 /nfs/dbraw/zinc/37/03/04/819370304.db2.gz SNSGPMHRBZJKRM-QGZVFWFLSA-N 2 2 276.424 3.048 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208573 819370309 /nfs/dbraw/zinc/37/03/09/819370309.db2.gz SNSGPMHRBZJKRM-QGZVFWFLSA-N 2 2 276.424 3.048 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210492 819371259 /nfs/dbraw/zinc/37/12/59/819371259.db2.gz CXLDZSNNYUHNNO-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236210492 819371264 /nfs/dbraw/zinc/37/12/64/819371264.db2.gz CXLDZSNNYUHNNO-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217408 819381757 /nfs/dbraw/zinc/38/17/57/819381757.db2.gz OYUYVVWDJPOQNA-RYUDHWBXSA-N 2 2 258.818 3.103 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217408 819381767 /nfs/dbraw/zinc/38/17/67/819381767.db2.gz OYUYVVWDJPOQNA-RYUDHWBXSA-N 2 2 258.818 3.103 20 0 CGADLP C[N@H+](Cc1ccnc(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218712 819383354 /nfs/dbraw/zinc/38/33/54/819383354.db2.gz SWRBNRGCDBDZTN-CABCVRRESA-N 2 2 275.440 3.081 20 0 CGADLP C[N@@H+](Cc1ccnc(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218712 819383358 /nfs/dbraw/zinc/38/33/58/819383358.db2.gz SWRBNRGCDBDZTN-CABCVRRESA-N 2 2 275.440 3.081 20 0 CGADLP CCOc1ccc(C)cc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217721 819383592 /nfs/dbraw/zinc/38/35/92/819383592.db2.gz PWOCSGPREVBDSA-CVEARBPZSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1ccc(C)cc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217721 819383596 /nfs/dbraw/zinc/38/35/96/819383596.db2.gz PWOCSGPREVBDSA-CVEARBPZSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236219653 819386900 /nfs/dbraw/zinc/38/69/00/819386900.db2.gz XFPMMCVUSKTWLT-LSDHHAIUSA-N 2 2 296.842 3.440 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236219653 819386904 /nfs/dbraw/zinc/38/69/04/819386904.db2.gz XFPMMCVUSKTWLT-LSDHHAIUSA-N 2 2 296.842 3.440 20 0 CGADLP Cc1ccc(C)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236236741 819396035 /nfs/dbraw/zinc/39/60/35/819396035.db2.gz MKEQDBIDSWQFRH-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236236741 819396042 /nfs/dbraw/zinc/39/60/42/819396042.db2.gz MKEQDBIDSWQFRH-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Fc1ccc2[nH]cc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236236745 819396529 /nfs/dbraw/zinc/39/65/29/819396529.db2.gz MKQAWGSQNBZCAZ-HNNXBMFYSA-N 2 2 287.382 3.023 20 0 CGADLP Fc1ccc2[nH]cc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001236236745 819396535 /nfs/dbraw/zinc/39/65/35/819396535.db2.gz MKQAWGSQNBZCAZ-HNNXBMFYSA-N 2 2 287.382 3.023 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236237633 819396739 /nfs/dbraw/zinc/39/67/39/819396739.db2.gz TYYBFGGTYHSEBV-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1C ZINC001236237633 819396746 /nfs/dbraw/zinc/39/67/46/819396746.db2.gz TYYBFGGTYHSEBV-KRWDZBQOSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1C ZINC001236240992 819399519 /nfs/dbraw/zinc/39/95/19/819399519.db2.gz PCGWNQNURVTSMG-LJQANCHMSA-N 2 2 282.431 3.305 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])Cc2ccccc2)cc1C ZINC001236240992 819399525 /nfs/dbraw/zinc/39/95/25/819399525.db2.gz PCGWNQNURVTSMG-LJQANCHMSA-N 2 2 282.431 3.305 20 0 CGADLP CCC[N@H+](Cc1ccccc1C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236322947 819424070 /nfs/dbraw/zinc/42/40/70/819424070.db2.gz AYTRYYWCWNZOFE-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@@H+](Cc1ccccc1C(C)C)[C@@H]1CC[NH2+]C1 ZINC001236322947 819424076 /nfs/dbraw/zinc/42/40/76/819424076.db2.gz AYTRYYWCWNZOFE-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1cnc2c(c1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001236357437 819433122 /nfs/dbraw/zinc/43/31/22/819433122.db2.gz MYPMPVDFFMMKAX-UHFFFAOYSA-N 2 2 287.451 3.061 20 0 CGADLP Cc1cnc2c(c1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001236357437 819433126 /nfs/dbraw/zinc/43/31/26/819433126.db2.gz MYPMPVDFFMMKAX-UHFFFAOYSA-N 2 2 287.451 3.061 20 0 CGADLP CC(C)C[N@H+](Cc1nccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236473099 819492344 /nfs/dbraw/zinc/49/23/44/819492344.db2.gz CSFXRJYUOGHJDY-QGZVFWFLSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)C[N@@H+](Cc1nccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236473099 819492348 /nfs/dbraw/zinc/49/23/48/819492348.db2.gz CSFXRJYUOGHJDY-QGZVFWFLSA-N 2 2 297.446 3.445 20 0 CGADLP C[C@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236478787 819495295 /nfs/dbraw/zinc/49/52/95/819495295.db2.gz LYJOTJUHPWQMNH-QRTARXTBSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236478787 819495298 /nfs/dbraw/zinc/49/52/98/819495298.db2.gz LYJOTJUHPWQMNH-QRTARXTBSA-N 2 2 276.399 3.036 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Cl ZINC001236526546 819518138 /nfs/dbraw/zinc/51/81/38/819518138.db2.gz CPQRDYAFIPZAGF-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)ccc1Cl ZINC001236526546 819518144 /nfs/dbraw/zinc/51/81/44/819518144.db2.gz CPQRDYAFIPZAGF-AWEZNQCLSA-N 2 2 266.816 3.221 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236605320 819550040 /nfs/dbraw/zinc/55/00/40/819550040.db2.gz QSKIPSXUZHQQGV-INIZCTEOSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236605320 819550045 /nfs/dbraw/zinc/55/00/45/819550045.db2.gz QSKIPSXUZHQQGV-INIZCTEOSA-N 2 2 296.842 3.298 20 0 CGADLP c1cc2c(cccc2C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC001236733666 819583651 /nfs/dbraw/zinc/58/36/51/819583651.db2.gz CKFVJELQFQCGKT-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC001236865879 819626381 /nfs/dbraw/zinc/62/63/81/819626381.db2.gz RODIEVWCPODKFF-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC001236865879 819626385 /nfs/dbraw/zinc/62/63/85/819626385.db2.gz RODIEVWCPODKFF-SFHVURJKSA-N 2 2 298.430 3.435 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414101 819747206 /nfs/dbraw/zinc/74/72/06/819747206.db2.gz KMPVJYWZCODUKE-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237414101 819747212 /nfs/dbraw/zinc/74/72/12/819747212.db2.gz KMPVJYWZCODUKE-GDBMZVCRSA-N 2 2 278.827 3.222 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237714483 819817684 /nfs/dbraw/zinc/81/76/84/819817684.db2.gz VZQDISWORLZPCG-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc21 ZINC001237880711 819868161 /nfs/dbraw/zinc/86/81/61/819868161.db2.gz JHMDZPPWYREWTI-CALCHBBNSA-N 2 2 298.430 3.051 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc21 ZINC001237880711 819868174 /nfs/dbraw/zinc/86/81/74/819868174.db2.gz JHMDZPPWYREWTI-CALCHBBNSA-N 2 2 298.430 3.051 20 0 CGADLP C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243660211 823478166 /nfs/dbraw/zinc/47/81/66/823478166.db2.gz PXKAVLROWUFZBC-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP COc1cc2[nH+]ccn2cc1-c1ccccc1C[NH+](C)C ZINC001239685064 820521132 /nfs/dbraw/zinc/52/11/32/820521132.db2.gz YCAXUHYIKBHAMY-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP COc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC001239828067 820645271 /nfs/dbraw/zinc/64/52/71/820645271.db2.gz WZWHLKOYEYSUBL-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC001239828067 820645276 /nfs/dbraw/zinc/64/52/76/820645276.db2.gz WZWHLKOYEYSUBL-MRXNPFEDSA-N 2 2 296.414 3.204 20 0 CGADLP C[NH+](C)Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240519123 821116683 /nfs/dbraw/zinc/11/66/83/821116683.db2.gz ZCDRGHOHYZGRIP-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc4[nH]ccc43)cc2)C1 ZINC001240712472 821268246 /nfs/dbraw/zinc/26/82/46/821268246.db2.gz MTFCBRPGFFEZDG-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc4[nH]ccc43)cc2)C1 ZINC001240712472 821268251 /nfs/dbraw/zinc/26/82/51/821268251.db2.gz MTFCBRPGFFEZDG-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc(C)[nH+]1 ZINC001240851428 821372005 /nfs/dbraw/zinc/37/20/05/821372005.db2.gz FNAALHTXSOMLFB-UHFFFAOYSA-N 2 2 281.403 3.117 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2/C=C/Cc2ccccc2)C1 ZINC001242142935 822892159 /nfs/dbraw/zinc/89/21/59/822892159.db2.gz KTGJWHDQPXRVAI-YLZBSDIZSA-N 2 2 292.426 3.476 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2/C=C/Cc2ccccc2)C1 ZINC001242142935 822892164 /nfs/dbraw/zinc/89/21/64/822892164.db2.gz KTGJWHDQPXRVAI-YLZBSDIZSA-N 2 2 292.426 3.476 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001343237267 936492056 /nfs/dbraw/zinc/49/20/56/936492056.db2.gz BIFDZCIQVRZPHZ-DOTOQJQBSA-N 2 2 287.451 3.347 20 0 CGADLP Cc1nc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC001351998792 937031704 /nfs/dbraw/zinc/03/17/04/937031704.db2.gz ULGOPMUUORWBTG-ZDUSSCGKSA-N 2 2 283.485 3.216 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CC)c2ccccc2)C1 ZINC001308475843 928528614 /nfs/dbraw/zinc/52/86/14/928528614.db2.gz WGBICBJWRGAGML-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](CC)c2ccccc2)C1 ZINC001308475843 928528627 /nfs/dbraw/zinc/52/86/27/928528627.db2.gz WGBICBJWRGAGML-NVXWUHKLSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC001460144529 937517986 /nfs/dbraw/zinc/51/79/86/937517986.db2.gz NBALWUBYIQYLRP-AXRJEEMOSA-N 2 2 264.457 3.133 20 0 CGADLP Cc1c(C)n(-c2nc(C)[nH+]c(C)c2C)c2ccc(C[NH3+])cc12 ZINC001155907253 931977864 /nfs/dbraw/zinc/97/78/64/931977864.db2.gz TWSJPWVMPMBXJY-UHFFFAOYSA-N 2 2 294.402 3.421 20 0 CGADLP C[C@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)C1 ZINC001460960256 937556275 /nfs/dbraw/zinc/55/62/75/937556275.db2.gz RCWHLLNIHGRTNF-LSDHHAIUSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001461122402 937565145 /nfs/dbraw/zinc/56/51/45/937565145.db2.gz ZBUOCDNKBIKXCV-SJLPKXTDSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)c(C)s1 ZINC001461262298 937572835 /nfs/dbraw/zinc/57/28/35/937572835.db2.gz JBOYHHYNAULEPQ-UHFFFAOYSA-N 2 2 275.421 3.352 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001461686979 937592266 /nfs/dbraw/zinc/59/22/66/937592266.db2.gz YDLOXDLYNRERPX-MJICGBHWSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001461686979 937592268 /nfs/dbraw/zinc/59/22/68/937592268.db2.gz YDLOXDLYNRERPX-MJICGBHWSA-N 2 2 288.410 3.445 20 0 CGADLP CCc1ccc(C[NH2+][C@H](C)CC[NH+](CC)CC)o1 ZINC001461834475 937600612 /nfs/dbraw/zinc/60/06/12/937600612.db2.gz UMKYNJFGTYRXJR-CYBMUJFWSA-N 2 2 252.402 3.052 20 0 CGADLP CC[C@H](CC(F)F)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167187 933064030 /nfs/dbraw/zinc/06/40/30/933064030.db2.gz OGKSUWLQNLAWMO-GFCCVEGCSA-N 2 2 285.382 3.281 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001308264648 933084252 /nfs/dbraw/zinc/08/42/52/933084252.db2.gz QEOOMNLVNLCMAG-JJXSEGSLSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001308264648 933084257 /nfs/dbraw/zinc/08/42/57/933084257.db2.gz QEOOMNLVNLCMAG-JJXSEGSLSA-N 2 2 252.446 3.275 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001308385868 933105324 /nfs/dbraw/zinc/10/53/24/933105324.db2.gz TVMZZLGTXSAALZ-LSDHHAIUSA-N 2 2 284.513 3.372 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001308385868 933105327 /nfs/dbraw/zinc/10/53/27/933105327.db2.gz TVMZZLGTXSAALZ-LSDHHAIUSA-N 2 2 284.513 3.372 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001308474731 933115919 /nfs/dbraw/zinc/11/59/19/933115919.db2.gz IMDJOSDEWBFSFF-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(C)C)c2)C1 ZINC001308474731 933115922 /nfs/dbraw/zinc/11/59/22/933115922.db2.gz IMDJOSDEWBFSFF-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001308739047 933166860 /nfs/dbraw/zinc/16/68/60/933166860.db2.gz YKKPBBJHYCSRMB-QGZVFWFLSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001308739047 933166863 /nfs/dbraw/zinc/16/68/63/933166863.db2.gz YKKPBBJHYCSRMB-QGZVFWFLSA-N 2 2 274.452 3.248 20 0 CGADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]2CCCC[C@@H]12 ZINC001308840896 933188038 /nfs/dbraw/zinc/18/80/38/933188038.db2.gz PANCQWGCCVRNQO-SMLCLMEVSA-N 2 2 262.441 3.172 20 0 CGADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[C@H]2CCCC[C@@H]12 ZINC001308840896 933188039 /nfs/dbraw/zinc/18/80/39/933188039.db2.gz PANCQWGCCVRNQO-SMLCLMEVSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\C(C)(C)C ZINC001318554062 933744401 /nfs/dbraw/zinc/74/44/01/933744401.db2.gz FQTWVPBTQNCTBH-ALCCZGGFSA-N 2 2 284.363 3.117 20 0 CGADLP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]c2ccccc12 ZINC001322045436 934233669 /nfs/dbraw/zinc/23/36/69/934233669.db2.gz PQNBSOXAFRKSJH-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]c2ccccc12 ZINC001322045436 934233675 /nfs/dbraw/zinc/23/36/75/934233675.db2.gz PQNBSOXAFRKSJH-HNNXBMFYSA-N 2 2 283.419 3.321 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC001325134707 934888198 /nfs/dbraw/zinc/88/81/98/934888198.db2.gz XLQMWHDUIHZNDE-VQHPVUNQSA-N 2 2 294.483 3.043 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC001325134707 934888205 /nfs/dbraw/zinc/88/82/05/934888205.db2.gz XLQMWHDUIHZNDE-VQHPVUNQSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713155 937818517 /nfs/dbraw/zinc/81/85/17/937818517.db2.gz RXEPOQGJNBCKCN-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001473713155 937818519 /nfs/dbraw/zinc/81/85/19/937818519.db2.gz RXEPOQGJNBCKCN-CRAIPNDOSA-N 2 2 299.418 3.180 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335253809 936135926 /nfs/dbraw/zinc/13/59/26/936135926.db2.gz PAAZGSKHTIZDKG-BEMMVCDISA-N 2 2 281.403 3.028 20 0 CGADLP COCC[C@@H](C)[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896523 937828614 /nfs/dbraw/zinc/82/86/14/937828614.db2.gz DHJGTYKYGWSVDS-HUUCEWRRSA-N 2 2 293.455 3.243 20 0 CGADLP COCC[C@@H](C)[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473896523 937828615 /nfs/dbraw/zinc/82/86/15/937828615.db2.gz DHJGTYKYGWSVDS-HUUCEWRRSA-N 2 2 293.455 3.243 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001474220975 937844807 /nfs/dbraw/zinc/84/48/07/937844807.db2.gz WEGJFYWNOFMVIS-FUHWJXTLSA-N 2 2 274.452 3.329 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CCc2ccccc2)C1 ZINC001474220975 937844809 /nfs/dbraw/zinc/84/48/09/937844809.db2.gz WEGJFYWNOFMVIS-FUHWJXTLSA-N 2 2 274.452 3.329 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC001474291326 937848581 /nfs/dbraw/zinc/84/85/81/937848581.db2.gz NGADFHBJATXFDZ-OALUTQOASA-N 2 2 288.479 3.500 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC001474293652 937848795 /nfs/dbraw/zinc/84/87/95/937848795.db2.gz CZIAQXQEFXPHRX-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC001474293652 937848797 /nfs/dbraw/zinc/84/87/97/937848797.db2.gz CZIAQXQEFXPHRX-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC001474450019 937860547 /nfs/dbraw/zinc/86/05/47/937860547.db2.gz FDKHKLDTAQHBOV-KRWDZBQOSA-N 2 2 274.452 3.472 20 0 CGADLP Clc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001474496819 937863181 /nfs/dbraw/zinc/86/31/81/937863181.db2.gz QBLQZJAVYIDALF-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001474496819 937863183 /nfs/dbraw/zinc/86/31/83/937863183.db2.gz QBLQZJAVYIDALF-QGZVFWFLSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037172 938154577 /nfs/dbraw/zinc/15/45/77/938154577.db2.gz POJIUYKXXFZAAT-HZPDHXFCSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037172 938154578 /nfs/dbraw/zinc/15/45/78/938154578.db2.gz POJIUYKXXFZAAT-HZPDHXFCSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])cs1 ZINC001551376759 938180530 /nfs/dbraw/zinc/18/05/30/938180530.db2.gz CBDOQTYCPYLLFY-KNXALSJPSA-N 2 2 272.417 3.332 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])s1 ZINC001551378409 938180689 /nfs/dbraw/zinc/18/06/89/938180689.db2.gz PRJBJTYGNVIFRS-PJODQICGSA-N 2 2 272.417 3.332 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)O[C@H](C)C1 ZINC001551396754 938181561 /nfs/dbraw/zinc/18/15/61/938181561.db2.gz STISCAWAMHNZNJ-CRAIPNDOSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)O[C@H](C)C1 ZINC001551396754 938181562 /nfs/dbraw/zinc/18/15/62/938181562.db2.gz STISCAWAMHNZNJ-CRAIPNDOSA-N 2 2 299.418 3.044 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)C1(C)C ZINC001559844952 938237032 /nfs/dbraw/zinc/23/70/32/938237032.db2.gz BRGLMDAIIJLFAB-ZMSDIMECSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)C1(C)C ZINC001559844952 938237033 /nfs/dbraw/zinc/23/70/33/938237033.db2.gz BRGLMDAIIJLFAB-ZMSDIMECSA-N 2 2 282.472 3.043 20 0 CGADLP CCC[C@@H](C)CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001560113641 938244241 /nfs/dbraw/zinc/24/42/41/938244241.db2.gz OMGCSAKDMSUPAH-AEFFLSMTSA-N 2 2 296.499 3.436 20 0 CGADLP CCC[C@@H](C)CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001560113641 938244242 /nfs/dbraw/zinc/24/42/42/938244242.db2.gz OMGCSAKDMSUPAH-AEFFLSMTSA-N 2 2 296.499 3.436 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC001560960975 938286509 /nfs/dbraw/zinc/28/65/09/938286509.db2.gz HPGODAQDFNIXNQ-JXFKEZNVSA-N 2 2 298.474 3.398 20 0 CGADLP c1ccc2c(c1)CC[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC001560960975 938286511 /nfs/dbraw/zinc/28/65/11/938286511.db2.gz HPGODAQDFNIXNQ-JXFKEZNVSA-N 2 2 298.474 3.398 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC001561035972 938290852 /nfs/dbraw/zinc/29/08/52/938290852.db2.gz OCPQEDUZSQZJMC-ZALBZXLWSA-N 2 2 294.389 3.285 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC001561035972 938290853 /nfs/dbraw/zinc/29/08/53/938290853.db2.gz OCPQEDUZSQZJMC-ZALBZXLWSA-N 2 2 294.389 3.285 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001575130766 962358429 /nfs/dbraw/zinc/35/84/29/962358429.db2.gz PSGQUNZVOMYHHJ-NVXWUHKLSA-N 2 2 290.451 3.293 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001575130766 962358442 /nfs/dbraw/zinc/35/84/42/962358442.db2.gz PSGQUNZVOMYHHJ-NVXWUHKLSA-N 2 2 290.451 3.293 20 0 CGADLP CC(C)C[C@@](C)(C[NH3+])[NH2+]Cc1cccc(OC2CC2)c1F ZINC001575531572 962390986 /nfs/dbraw/zinc/39/09/86/962390986.db2.gz SGEBAJUQKDKQFB-KRWDZBQOSA-N 2 2 294.414 3.220 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576503331 962469054 /nfs/dbraw/zinc/46/90/54/962469054.db2.gz OQWDODRLVKYELL-AWEZNQCLSA-N 2 2 287.234 3.207 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC001576503331 962469057 /nfs/dbraw/zinc/46/90/57/962469057.db2.gz OQWDODRLVKYELL-AWEZNQCLSA-N 2 2 287.234 3.207 20 0 CGADLP C[C@]1(C[N@H+](Cc2ccco2)Cc2ccccc2)CC[NH2+]C1 ZINC001576501746 962469144 /nfs/dbraw/zinc/46/91/44/962469144.db2.gz YWQBPNJJTXLHFN-SFHVURJKSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@]1(C[N@@H+](Cc2ccco2)Cc2ccccc2)CC[NH2+]C1 ZINC001576501746 962469149 /nfs/dbraw/zinc/46/91/49/962469149.db2.gz YWQBPNJJTXLHFN-SFHVURJKSA-N 2 2 284.403 3.281 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)(F)F ZINC001577526863 962552974 /nfs/dbraw/zinc/55/29/74/962552974.db2.gz HQDPUUNGQIFFKK-ZDUSSCGKSA-N 2 2 292.320 3.317 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)(F)F ZINC001577526863 962552984 /nfs/dbraw/zinc/55/29/84/962552984.db2.gz HQDPUUNGQIFFKK-ZDUSSCGKSA-N 2 2 292.320 3.317 20 0 CGADLP COCCCCC[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC001579013204 962609350 /nfs/dbraw/zinc/60/93/50/962609350.db2.gz XYNIYGPRBSEDBN-SFHVURJKSA-N 2 2 286.419 3.246 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)(F)F ZINC001579391581 962620582 /nfs/dbraw/zinc/62/05/82/962620582.db2.gz IVXHMLPKWASKKO-VHSXEESVSA-N 2 2 292.370 3.339 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@H]3CCC(C)(C)C[NH2+]3)[nH]c2c1 ZINC001579740849 962661031 /nfs/dbraw/zinc/66/10/31/962661031.db2.gz XJPMFBDJRBVQOL-OAHLLOKOSA-N 2 2 285.435 3.344 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401704 349520751 /nfs/dbraw/zinc/52/07/51/349520751.db2.gz HOQNIPCGVUBECS-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401704 349520755 /nfs/dbraw/zinc/52/07/55/349520755.db2.gz HOQNIPCGVUBECS-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000337530867 214142703 /nfs/dbraw/zinc/14/27/03/214142703.db2.gz CXFFVKBTWKMXIC-KCQAQPDRSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000337530867 214142705 /nfs/dbraw/zinc/14/27/05/214142705.db2.gz CXFFVKBTWKMXIC-KCQAQPDRSA-N 2 2 278.465 3.399 20 0 CGADLP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000294960944 199271595 /nfs/dbraw/zinc/27/15/95/199271595.db2.gz DWDOITNCYUCLLL-BFJAYTPKSA-N 2 2 278.465 3.019 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781807 349585404 /nfs/dbraw/zinc/58/54/04/349585404.db2.gz IVAFDHSBGBILPV-ZLDLUXBVSA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781807 349585408 /nfs/dbraw/zinc/58/54/08/349585408.db2.gz IVAFDHSBGBILPV-ZLDLUXBVSA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@H](F)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515119 529437981 /nfs/dbraw/zinc/43/79/81/529437981.db2.gz OWJABGPTQNTQDZ-UONOGXRCSA-N 2 2 279.403 3.065 20 0 CGADLP CC[C@H](F)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000440515119 529437983 /nfs/dbraw/zinc/43/79/83/529437983.db2.gz OWJABGPTQNTQDZ-UONOGXRCSA-N 2 2 279.403 3.065 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423486594 529501456 /nfs/dbraw/zinc/50/14/56/529501456.db2.gz ZPKDNYAQZUNRNC-VXGBXAGGSA-N 2 2 260.381 3.383 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423459105 529568719 /nfs/dbraw/zinc/56/87/19/529568719.db2.gz HPTLPDVVGONGHC-MWLCHTKSSA-N 2 2 269.458 3.137 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cncc(C)c1 ZINC000423501679 529611847 /nfs/dbraw/zinc/61/18/47/529611847.db2.gz LKMKVQMFCYCGCE-KDOFPFPSSA-N 2 2 283.419 3.303 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000414062045 529608890 /nfs/dbraw/zinc/60/88/90/529608890.db2.gz KVWYDXJXZHXDRK-NXHRZFHOSA-N 2 2 297.446 3.498 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CC(C(C)C)C1 ZINC000423513097 529616424 /nfs/dbraw/zinc/61/64/24/529616424.db2.gz VCNZYEOIWGDIRH-VMBOVVBDSA-N 2 2 260.425 3.273 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cncc(C)c1 ZINC000423501681 529616618 /nfs/dbraw/zinc/61/66/18/529616618.db2.gz LKMKVQMFCYCGCE-RDTXWAMCSA-N 2 2 283.419 3.303 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423510518 529617085 /nfs/dbraw/zinc/61/70/85/529617085.db2.gz SKRFPRWTLBPZTI-IFXJQAMLSA-N 2 2 298.430 3.092 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@@H]1C ZINC000414114820 529658324 /nfs/dbraw/zinc/65/83/24/529658324.db2.gz MEFGZROCGHICIK-XNISGKROSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@@H]1C ZINC000414114820 529658325 /nfs/dbraw/zinc/65/83/25/529658325.db2.gz MEFGZROCGHICIK-XNISGKROSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000423547254 529669732 /nfs/dbraw/zinc/66/97/32/529669732.db2.gz FYEPUKWSBXIMAX-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP Cc1cnc([C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431950 349807955 /nfs/dbraw/zinc/80/79/55/349807955.db2.gz YOJJHVZHGMYYSG-KBPBESRZSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1cnc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C2CC2)s1 ZINC000623431950 349807958 /nfs/dbraw/zinc/80/79/58/349807958.db2.gz YOJJHVZHGMYYSG-KBPBESRZSA-N 2 2 293.480 3.365 20 0 CGADLP Cc1sccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000350476464 136378750 /nfs/dbraw/zinc/37/87/50/136378750.db2.gz KPMNVYKKTQMQIJ-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000351299776 219088563 /nfs/dbraw/zinc/08/85/63/219088563.db2.gz DKZAJEYWASKPLV-UHFFFAOYSA-N 2 2 275.223 3.377 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000351299776 219088565 /nfs/dbraw/zinc/08/85/65/219088565.db2.gz DKZAJEYWASKPLV-UHFFFAOYSA-N 2 2 275.223 3.377 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]2SC)[NH+](C)C)cc1 ZINC000425349213 529723884 /nfs/dbraw/zinc/72/38/84/529723884.db2.gz FEWHPBKKACWSSO-IXDOHACOSA-N 2 2 292.492 3.335 20 0 CGADLP Cc1cc(NC2CCC(C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000128120569 187352671 /nfs/dbraw/zinc/35/26/71/187352671.db2.gz IJXBMOICTRKCKY-UHFFFAOYSA-N 2 2 290.455 3.441 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000623853459 349896599 /nfs/dbraw/zinc/89/65/99/349896599.db2.gz YSBZYIDOQAVNSO-LLVKDONJSA-N 2 2 281.469 3.411 20 0 CGADLP Clc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000351567372 219127750 /nfs/dbraw/zinc/12/77/50/219127750.db2.gz JCQPCCJBJIFAJL-UHFFFAOYSA-N 2 2 288.738 3.185 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)n1 ZINC000623867615 349900190 /nfs/dbraw/zinc/90/01/90/349900190.db2.gz GANJOJURRRPVDS-GXTWGEPZSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000623878669 349903401 /nfs/dbraw/zinc/90/34/01/349903401.db2.gz NIRNMVAZQSLRJL-BPQIPLTHSA-N 2 2 290.451 3.145 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2scnc21)C(C)(C)C ZINC000623894992 349907966 /nfs/dbraw/zinc/90/79/66/349907966.db2.gz HLHLTTLWIYEOCP-OCCSQVGLSA-N 2 2 295.496 3.477 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000040621150 344964556 /nfs/dbraw/zinc/96/45/56/344964556.db2.gz VMUPXZOKMNFJEQ-YCPHGPKFSA-N 2 2 276.424 3.223 20 0 CGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000040621150 344964558 /nfs/dbraw/zinc/96/45/58/344964558.db2.gz VMUPXZOKMNFJEQ-YCPHGPKFSA-N 2 2 276.424 3.223 20 0 CGADLP Clc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353298 345009229 /nfs/dbraw/zinc/00/92/29/345009229.db2.gz VHFDJTDPJDCJSZ-UHFFFAOYSA-N 2 2 263.772 3.107 20 0 CGADLP c1coc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062426663 345238082 /nfs/dbraw/zinc/23/80/82/345238082.db2.gz WOYVMYAZEHMWSZ-QGZVFWFLSA-N 2 2 284.403 3.281 20 0 CGADLP c1coc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426663 345238087 /nfs/dbraw/zinc/23/80/87/345238087.db2.gz WOYVMYAZEHMWSZ-QGZVFWFLSA-N 2 2 284.403 3.281 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000077250110 345564912 /nfs/dbraw/zinc/56/49/12/345564912.db2.gz DVWHNZWEPJLBBH-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000077250110 345564916 /nfs/dbraw/zinc/56/49/16/345564916.db2.gz DVWHNZWEPJLBBH-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CCCCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000078774743 345621450 /nfs/dbraw/zinc/62/14/50/345621450.db2.gz OLJVUHRWVGQNMH-UHFFFAOYSA-N 2 2 290.455 3.221 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000154618525 232220010 /nfs/dbraw/zinc/22/00/10/232220010.db2.gz NVKIQPCIYGGMNN-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000154618525 232220011 /nfs/dbraw/zinc/22/00/11/232220011.db2.gz NVKIQPCIYGGMNN-FZMZJTMJSA-N 2 2 252.789 3.085 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000090847096 345796500 /nfs/dbraw/zinc/79/65/00/345796500.db2.gz CYHQBRLKHQSYGX-CYBMUJFWSA-N 2 2 258.340 3.422 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)[nH]1 ZINC000092073715 345830230 /nfs/dbraw/zinc/83/02/30/345830230.db2.gz VMDUWQAYFHTFKG-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)[nH]1 ZINC000092073715 345830236 /nfs/dbraw/zinc/83/02/36/345830236.db2.gz VMDUWQAYFHTFKG-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000093942499 345892798 /nfs/dbraw/zinc/89/27/98/345892798.db2.gz PCIXGQCMMYXYJF-QILLFSRXSA-N 2 2 287.451 3.030 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000093942499 345892802 /nfs/dbraw/zinc/89/28/02/345892802.db2.gz PCIXGQCMMYXYJF-QILLFSRXSA-N 2 2 287.451 3.030 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108278692 345936805 /nfs/dbraw/zinc/93/68/05/345936805.db2.gz LNPWXNQZYMTHMV-GMTAPVOTSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436429 346065113 /nfs/dbraw/zinc/06/51/13/346065113.db2.gz CTNUUTHAGLQDAY-TVQRCGJNSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000131436429 346065115 /nfs/dbraw/zinc/06/51/15/346065115.db2.gz CTNUUTHAGLQDAY-TVQRCGJNSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000177253459 232360062 /nfs/dbraw/zinc/36/00/62/232360062.db2.gz ZPPXXKSAYIRDFR-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000177253459 232360065 /nfs/dbraw/zinc/36/00/65/232360065.db2.gz ZPPXXKSAYIRDFR-BXUZGUMPSA-N 2 2 297.240 3.194 20 0 CGADLP COc1ccc[nH+]c1NCCC[NH+](C(C)C)C(C)C ZINC000624012130 349946694 /nfs/dbraw/zinc/94/66/94/349946694.db2.gz SGCPZRAHQYDTSH-UHFFFAOYSA-N 2 2 265.401 3.011 20 0 CGADLP C[C@H](F)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000351723356 219186911 /nfs/dbraw/zinc/18/69/11/219186911.db2.gz ZEVBQMMKJZKNFH-AWEZNQCLSA-N 2 2 266.404 3.235 20 0 CGADLP C[C@H](F)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000351723356 219186913 /nfs/dbraw/zinc/18/69/13/219186913.db2.gz ZEVBQMMKJZKNFH-AWEZNQCLSA-N 2 2 266.404 3.235 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247505 346572322 /nfs/dbraw/zinc/57/23/22/346572322.db2.gz AXJXBIIBRDQROS-ZBFHGGJFSA-N 2 2 291.395 3.120 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247505 346572324 /nfs/dbraw/zinc/57/23/24/346572324.db2.gz AXJXBIIBRDQROS-ZBFHGGJFSA-N 2 2 291.395 3.120 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247492 346572653 /nfs/dbraw/zinc/57/26/53/346572653.db2.gz AXJXBIIBRDQROS-GDBMZVCRSA-N 2 2 291.395 3.120 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000389247492 346572656 /nfs/dbraw/zinc/57/26/56/346572656.db2.gz AXJXBIIBRDQROS-GDBMZVCRSA-N 2 2 291.395 3.120 20 0 CGADLP CCn1c[nH+]cc1C[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000584851605 346718720 /nfs/dbraw/zinc/71/87/20/346718720.db2.gz XUOLUBPEMJRLQK-UHFFFAOYSA-N 2 2 269.348 3.247 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)(C)C ZINC000339260214 215046728 /nfs/dbraw/zinc/04/67/28/215046728.db2.gz XODLTYAZGCEBTK-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)(C)C ZINC000339260214 215046729 /nfs/dbraw/zinc/04/67/29/215046729.db2.gz XODLTYAZGCEBTK-UHFFFAOYSA-N 2 2 257.381 3.350 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000594750630 347216618 /nfs/dbraw/zinc/21/66/18/347216618.db2.gz YSBXXQFWUTYLNI-MRXNPFEDSA-N 2 2 294.414 3.057 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000594750630 347216621 /nfs/dbraw/zinc/21/66/21/347216621.db2.gz YSBXXQFWUTYLNI-MRXNPFEDSA-N 2 2 294.414 3.057 20 0 CGADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000595017684 347258881 /nfs/dbraw/zinc/25/88/81/347258881.db2.gz MVHQGNAWLKQSGE-UONOGXRCSA-N 2 2 290.492 3.178 20 0 CGADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000595017684 347258882 /nfs/dbraw/zinc/25/88/82/347258882.db2.gz MVHQGNAWLKQSGE-UONOGXRCSA-N 2 2 290.492 3.178 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)CO1 ZINC000604388046 348118489 /nfs/dbraw/zinc/11/84/89/348118489.db2.gz WVDPIAMNRDLQMH-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)CO1 ZINC000604388046 348118491 /nfs/dbraw/zinc/11/84/91/348118491.db2.gz WVDPIAMNRDLQMH-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000605150885 348148519 /nfs/dbraw/zinc/14/85/19/348148519.db2.gz WRJWBXVMPRXIHQ-HNNXBMFYSA-N 2 2 278.465 3.241 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000605150885 348148522 /nfs/dbraw/zinc/14/85/22/348148522.db2.gz WRJWBXVMPRXIHQ-HNNXBMFYSA-N 2 2 278.465 3.241 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606432931 348182354 /nfs/dbraw/zinc/18/23/54/348182354.db2.gz ZUHJLURJVRGCIZ-INIZCTEOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606432931 348182358 /nfs/dbraw/zinc/18/23/58/348182358.db2.gz ZUHJLURJVRGCIZ-INIZCTEOSA-N 2 2 269.392 3.337 20 0 CGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427809 215161700 /nfs/dbraw/zinc/16/17/00/215161700.db2.gz CNYOPDNBRIPETM-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427809 215161703 /nfs/dbraw/zinc/16/17/03/215161703.db2.gz CNYOPDNBRIPETM-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427809 215161706 /nfs/dbraw/zinc/16/17/06/215161706.db2.gz CNYOPDNBRIPETM-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000339427809 215161709 /nfs/dbraw/zinc/16/17/09/215161709.db2.gz CNYOPDNBRIPETM-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000607426664 348237806 /nfs/dbraw/zinc/23/78/06/348237806.db2.gz XMKOGSSYOOQINO-CQSZACIVSA-N 2 2 287.407 3.182 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000607426664 348237809 /nfs/dbraw/zinc/23/78/09/348237809.db2.gz XMKOGSSYOOQINO-CQSZACIVSA-N 2 2 287.407 3.182 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000608756186 348325847 /nfs/dbraw/zinc/32/58/47/348325847.db2.gz JOOHSUSFRNVUBZ-UHFFFAOYSA-N 2 2 287.407 3.039 20 0 CGADLP CC(C)CSCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611032538 348418913 /nfs/dbraw/zinc/41/89/13/348418913.db2.gz DAWMJSYMKUFNBA-HNNXBMFYSA-N 2 2 281.469 3.299 20 0 CGADLP CC(C)CSCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611032538 348418916 /nfs/dbraw/zinc/41/89/16/348418916.db2.gz DAWMJSYMKUFNBA-HNNXBMFYSA-N 2 2 281.469 3.299 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000358014880 233037072 /nfs/dbraw/zinc/03/70/72/233037072.db2.gz DTGNNJFAKCWIKJ-QWQRMKEZSA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000358014880 233037076 /nfs/dbraw/zinc/03/70/76/233037076.db2.gz DTGNNJFAKCWIKJ-QWQRMKEZSA-N 2 2 288.435 3.219 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358067596 233051562 /nfs/dbraw/zinc/05/15/62/233051562.db2.gz XNAAZICCQVBSAZ-XHDPSFHLSA-N 2 2 290.382 3.310 20 0 CGADLP Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358067596 233051567 /nfs/dbraw/zinc/05/15/67/233051567.db2.gz XNAAZICCQVBSAZ-XHDPSFHLSA-N 2 2 290.382 3.310 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000358587469 233161361 /nfs/dbraw/zinc/16/13/61/233161361.db2.gz KJSZNYLULPWMEB-HLLBOEOZSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000619165739 349216247 /nfs/dbraw/zinc/21/62/47/349216247.db2.gz AKJHXJUVDXHGHP-KRWDZBQOSA-N 2 2 292.492 3.382 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000619165739 349216249 /nfs/dbraw/zinc/21/62/49/349216249.db2.gz AKJHXJUVDXHGHP-KRWDZBQOSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2sccc21 ZINC000624271852 350015745 /nfs/dbraw/zinc/01/57/45/350015745.db2.gz IEQQAVIJVSHYDX-SGMGOOAPSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2sccc21 ZINC000624271852 350015749 /nfs/dbraw/zinc/01/57/49/350015749.db2.gz IEQQAVIJVSHYDX-SGMGOOAPSA-N 2 2 264.438 3.370 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000625452002 350174258 /nfs/dbraw/zinc/17/42/58/350174258.db2.gz MDHNZBCIPPQPON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000625452002 350174259 /nfs/dbraw/zinc/17/42/59/350174259.db2.gz MDHNZBCIPPQPON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000625452002 350174261 /nfs/dbraw/zinc/17/42/61/350174261.db2.gz MDHNZBCIPPQPON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000625452002 350174262 /nfs/dbraw/zinc/17/42/62/350174262.db2.gz MDHNZBCIPPQPON-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000271292497 191055344 /nfs/dbraw/zinc/05/53/44/191055344.db2.gz FFYKMNNAEKSIME-QLFBSQMISA-N 2 2 293.430 3.239 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)cn1 ZINC000271292497 191055346 /nfs/dbraw/zinc/05/53/46/191055346.db2.gz FFYKMNNAEKSIME-QLFBSQMISA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000271301244 191060143 /nfs/dbraw/zinc/06/01/43/191060143.db2.gz UQXBQCLNZQXGFQ-DZGCQCFKSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@@H+]1C ZINC000359680209 233357076 /nfs/dbraw/zinc/35/70/76/233357076.db2.gz ZAYQYNWEUZHNBD-RDTXWAMCSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CCC[N@H+]1C ZINC000359680209 233357077 /nfs/dbraw/zinc/35/70/77/233357077.db2.gz ZAYQYNWEUZHNBD-RDTXWAMCSA-N 2 2 288.435 3.048 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC2CCCC2)CC1 ZINC000626088462 350258168 /nfs/dbraw/zinc/25/81/68/350258168.db2.gz YXPYMJHUFXVDBB-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000628156247 350414972 /nfs/dbraw/zinc/41/49/72/350414972.db2.gz IPJABMOOJMCXHL-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000628156247 350414975 /nfs/dbraw/zinc/41/49/75/350414975.db2.gz IPJABMOOJMCXHL-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000628156247 350414977 /nfs/dbraw/zinc/41/49/77/350414977.db2.gz IPJABMOOJMCXHL-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000628156247 350414981 /nfs/dbraw/zinc/41/49/81/350414981.db2.gz IPJABMOOJMCXHL-GOEBONIOSA-N 2 2 291.439 3.069 20 0 CGADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@]2(C)CCCS2)C1 ZINC000628166937 350418942 /nfs/dbraw/zinc/41/89/42/350418942.db2.gz YPCYYBJZIDOTAM-GJZGRUSLSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628166937 350418945 /nfs/dbraw/zinc/41/89/45/350418945.db2.gz YPCYYBJZIDOTAM-GJZGRUSLSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000628225715 350449623 /nfs/dbraw/zinc/44/96/23/350449623.db2.gz LPYRCQYZCGFCCM-WBVHZDCISA-N 2 2 292.492 3.125 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628230446 350452223 /nfs/dbraw/zinc/45/22/23/350452223.db2.gz GUFKMQWSLWOAFL-CQSZACIVSA-N 2 2 291.439 3.010 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628230446 350452227 /nfs/dbraw/zinc/45/22/27/350452227.db2.gz GUFKMQWSLWOAFL-CQSZACIVSA-N 2 2 291.439 3.010 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419534 350532622 /nfs/dbraw/zinc/53/26/22/350532622.db2.gz PLTAIOLOKXKKFL-WFASDCNBSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC(F)(F)C1 ZINC000628419534 350532626 /nfs/dbraw/zinc/53/26/26/350532626.db2.gz PLTAIOLOKXKKFL-WFASDCNBSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@]1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCCS1 ZINC000628419567 350532891 /nfs/dbraw/zinc/53/28/91/350532891.db2.gz VZUALSKAWRFCEF-HOTGVXAUSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@@]1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCCS1 ZINC000628419567 350532894 /nfs/dbraw/zinc/53/28/94/350532894.db2.gz VZUALSKAWRFCEF-HOTGVXAUSA-N 2 2 282.497 3.269 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)n2c1 ZINC000628422975 350534409 /nfs/dbraw/zinc/53/44/09/350534409.db2.gz WAGPWUQXLPCYIJ-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)n2c1 ZINC000628422975 350534414 /nfs/dbraw/zinc/53/44/14/350534414.db2.gz WAGPWUQXLPCYIJ-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000629526195 350702357 /nfs/dbraw/zinc/70/23/57/350702357.db2.gz MWRMHSYRRJOINU-QCZZGDTMSA-N 2 2 270.779 3.270 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000629525916 350702464 /nfs/dbraw/zinc/70/24/64/350702464.db2.gz GHVYNAAYWVQTLD-MJBXVCDLSA-N 2 2 262.397 3.023 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000629527312 350702861 /nfs/dbraw/zinc/70/28/61/350702861.db2.gz RMCHMEMEYJDHFC-GVDBMIGSSA-N 2 2 276.424 3.122 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000629527219 350702896 /nfs/dbraw/zinc/70/28/96/350702896.db2.gz OGVCYLJTJOKKSZ-ZWKOTPCHSA-N 2 2 278.399 3.487 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1nccc2ccccc21 ZINC000629528112 350702971 /nfs/dbraw/zinc/70/29/71/350702971.db2.gz PMAGIOLLZGANJZ-UHOFOFEASA-N 2 2 269.392 3.026 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C[NH2+]1 ZINC000629535140 350705190 /nfs/dbraw/zinc/70/51/90/350705190.db2.gz CCRGSMOSVGZANX-QDEZUTFSSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC000629537544 350705585 /nfs/dbraw/zinc/70/55/85/350705585.db2.gz JVCQOGKSNXXCPY-KBRIMQKVSA-N 2 2 258.409 3.258 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC000629537534 350705857 /nfs/dbraw/zinc/70/58/57/350705857.db2.gz JVCQOGKSNXXCPY-COXVUDFISA-N 2 2 258.409 3.258 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1F ZINC000629539726 350706664 /nfs/dbraw/zinc/70/66/64/350706664.db2.gz NOHYDXBARAJQQF-KFNAQCHYSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C2CCC2)o1 ZINC000629543131 350708200 /nfs/dbraw/zinc/70/82/00/350708200.db2.gz UHBJEBVNDZRYPA-SGIREYDYSA-N 2 2 262.397 3.159 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C2CCC2)o1 ZINC000629543130 350708529 /nfs/dbraw/zinc/70/85/29/350708529.db2.gz UHBJEBVNDZRYPA-HZUKXOBISA-N 2 2 262.397 3.159 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c2ccccc21 ZINC000629544733 350709442 /nfs/dbraw/zinc/70/94/42/350709442.db2.gz JDXXHTBXEITJTC-BWACUDIHSA-N 2 2 272.367 3.380 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000629545183 350709465 /nfs/dbraw/zinc/70/94/65/350709465.db2.gz AOCGJPPDABMDID-KFKAGJAMSA-N 2 2 280.415 3.310 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc2)cc1 ZINC000629546652 350709937 /nfs/dbraw/zinc/70/99/37/350709937.db2.gz VLJLQPWCUKPWDX-KFKAGJAMSA-N 2 2 280.415 3.424 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C[NH2+]1 ZINC000629395716 350688392 /nfs/dbraw/zinc/68/83/92/350688392.db2.gz QHYGLNCGQSCULU-NOZJJQNGSA-N 2 2 273.207 3.224 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397299 350688580 /nfs/dbraw/zinc/68/85/80/350688580.db2.gz ZARPLLBAEAYHQD-UKRRQHHQSA-N 2 2 284.403 3.079 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c2ccccc12 ZINC000629396367 350688595 /nfs/dbraw/zinc/68/85/95/350688595.db2.gz LEBCEEHZAUCPBH-ZFWWWQNUSA-N 2 2 284.403 3.079 20 0 CGADLP [NH3+]C/C=C\c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629710946 350749541 /nfs/dbraw/zinc/74/95/41/350749541.db2.gz ZISCHOYMSVAWEJ-ARJAWSKDSA-N 2 2 279.387 3.321 20 0 CGADLP C[NH2+]c1ccc(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000629652474 350730570 /nfs/dbraw/zinc/73/05/70/350730570.db2.gz AUDBDXRFMWTFPG-CJNGLKHVSA-N 2 2 261.413 3.451 20 0 CGADLP CC(C)c1[nH+]cc(-c2cccc(OCC[NH+](C)C)c2)n1C ZINC000630051307 350800908 /nfs/dbraw/zinc/80/09/08/350800908.db2.gz PIKXFFURVYSOJW-UHFFFAOYSA-N 2 2 287.407 3.151 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@](C)(Cc2ccccc2)C(C)C)n1C ZINC000631234048 351001484 /nfs/dbraw/zinc/00/14/84/351001484.db2.gz VRIKISVCVIWQKZ-SFHVURJKSA-N 2 2 285.435 3.476 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1 ZINC000631071496 350943280 /nfs/dbraw/zinc/94/32/80/350943280.db2.gz NRBHRNYTPGCLAX-AWEZNQCLSA-N 2 2 299.418 3.006 20 0 CGADLP CCC(C)(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000631685200 351119083 /nfs/dbraw/zinc/11/90/83/351119083.db2.gz YMSUGULGKPFUFU-UHFFFAOYSA-N 2 2 275.440 3.466 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(C)ccn1 ZINC000631568742 351069910 /nfs/dbraw/zinc/06/99/10/351069910.db2.gz XUXIJLWSXQHPIP-QGZVFWFLSA-N 2 2 287.451 3.448 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823184 351149070 /nfs/dbraw/zinc/14/90/70/351149070.db2.gz YATXIYCTKUIBDS-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(Cl)c1F ZINC000631823184 351149072 /nfs/dbraw/zinc/14/90/72/351149072.db2.gz YATXIYCTKUIBDS-DTWKUNHWSA-N 2 2 291.197 3.302 20 0 CGADLP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890691 351152878 /nfs/dbraw/zinc/15/28/78/351152878.db2.gz SDHAIRQEZINKRH-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890691 351152880 /nfs/dbraw/zinc/15/28/80/351152880.db2.gz SDHAIRQEZINKRH-IAQYHMDHSA-N 2 2 282.790 3.053 20 0 CGADLP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000631757194 351138193 /nfs/dbraw/zinc/13/81/93/351138193.db2.gz WIUOWSYJODMYMQ-RBSFLKMASA-N 2 2 298.352 3.191 20 0 CGADLP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000631757194 351138195 /nfs/dbraw/zinc/13/81/95/351138195.db2.gz WIUOWSYJODMYMQ-RBSFLKMASA-N 2 2 298.352 3.191 20 0 CGADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000634732377 351577175 /nfs/dbraw/zinc/57/71/75/351577175.db2.gz DZCORWFBGUELTQ-GFCCVEGCSA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445655 191141356 /nfs/dbraw/zinc/14/13/56/191141356.db2.gz CHIREUAABGCOEA-DZGCQCFKSA-N 2 2 270.380 3.030 20 0 CGADLP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271445655 191141358 /nfs/dbraw/zinc/14/13/58/191141358.db2.gz CHIREUAABGCOEA-DZGCQCFKSA-N 2 2 270.380 3.030 20 0 CGADLP CC(C)CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000122134036 187016890 /nfs/dbraw/zinc/01/68/90/187016890.db2.gz LNCMTJBTFVEHMK-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP COCC[C@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000339864193 215372326 /nfs/dbraw/zinc/37/23/26/215372326.db2.gz CBGMPOGQNCUIKJ-GOSISDBHSA-N 2 2 299.418 3.298 20 0 CGADLP CSC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131570714 187573897 /nfs/dbraw/zinc/57/38/97/187573897.db2.gz TXBWUKZHGUNQIZ-QWHCGFSZSA-N 2 2 275.421 3.274 20 0 CGADLP Fc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000364626280 234055362 /nfs/dbraw/zinc/05/53/62/234055362.db2.gz AETVHPXGHXJAJS-OAHLLOKOSA-N 2 2 297.333 3.087 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000271551786 191207253 /nfs/dbraw/zinc/20/72/53/191207253.db2.gz VBHKSCJMOXVLQU-CQSZACIVSA-N 2 2 282.387 3.314 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1 ZINC000367368118 234209328 /nfs/dbraw/zinc/20/93/28/234209328.db2.gz QIIOVKQLWONJGJ-LBPRGKRZSA-N 2 2 273.355 3.209 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCCCC1 ZINC000486982540 535192009 /nfs/dbraw/zinc/19/20/09/535192009.db2.gz BJQIXQGFACYKDL-HZPDHXFCSA-N 2 2 284.513 3.230 20 0 CGADLP COC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153432256 188081634 /nfs/dbraw/zinc/08/16/34/188081634.db2.gz QQIUQEUJRWHYTH-GJZGRUSLSA-N 2 2 296.480 3.146 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654297 188156021 /nfs/dbraw/zinc/15/60/21/188156021.db2.gz JZGPUKPWEYOPOK-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(-c2ccncc2)c1 ZINC000154654297 188156023 /nfs/dbraw/zinc/15/60/23/188156023.db2.gz JZGPUKPWEYOPOK-KXBFYZLASA-N 2 2 295.430 3.493 20 0 CGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000155739492 188224694 /nfs/dbraw/zinc/22/46/94/188224694.db2.gz AQMBWKSRGFBEBE-LRDDRELGSA-N 2 2 299.374 3.186 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccncc2)[NH+](C)C)cc1 ZINC000156530085 188267391 /nfs/dbraw/zinc/26/73/91/188267391.db2.gz DUFVVDMFVRQRQU-MAUKXSAKSA-N 2 2 283.419 3.344 20 0 CGADLP FC1(F)CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336438264 213301754 /nfs/dbraw/zinc/30/17/54/213301754.db2.gz LUFQDBDSDVLVRH-LLVKDONJSA-N 2 2 265.307 3.002 20 0 CGADLP Cc1cccc(NCCCCNc2cccc[nH+]2)[nH+]1 ZINC000157369863 188312377 /nfs/dbraw/zinc/31/23/77/188312377.db2.gz ZSECDOLLMITWPO-UHFFFAOYSA-N 2 2 256.353 3.089 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000158790973 188394901 /nfs/dbraw/zinc/39/49/01/188394901.db2.gz WDJQZQNLFFZONO-OLZOCXBDSA-N 2 2 291.464 3.330 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000158790973 188394903 /nfs/dbraw/zinc/39/49/03/188394903.db2.gz WDJQZQNLFFZONO-OLZOCXBDSA-N 2 2 291.464 3.330 20 0 CGADLP C[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374209947 234671442 /nfs/dbraw/zinc/67/14/42/234671442.db2.gz SBQALLUMLPMFLF-CQSZACIVSA-N 2 2 269.392 3.393 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc(C)c1F ZINC000414130707 235343815 /nfs/dbraw/zinc/34/38/15/235343815.db2.gz XPIHACFEMYMLOL-ZDUSSCGKSA-N 2 2 275.371 3.069 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)c1 ZINC000414122967 235341203 /nfs/dbraw/zinc/34/12/03/235341203.db2.gz IZWFNFDYHNLKOI-SJORKVTESA-N 2 2 283.419 3.135 20 0 CGADLP Cc1cc(NCCC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000125336056 138381718 /nfs/dbraw/zinc/38/17/18/138381718.db2.gz AIGFNJSPEAWJJG-UHFFFAOYSA-N 2 2 276.428 3.052 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccn1 ZINC000125385122 138382216 /nfs/dbraw/zinc/38/22/16/138382216.db2.gz YWVYCXIOBBMKOK-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)s1 ZINC000127713865 138390203 /nfs/dbraw/zinc/39/02/03/138390203.db2.gz RBXJZRNZDBFUGV-UHFFFAOYSA-N 2 2 264.438 3.117 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244041 236007610 /nfs/dbraw/zinc/00/76/10/236007610.db2.gz XCBNSCCLSKYPSG-STQMWFEESA-N 2 2 258.365 3.144 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246176 236007945 /nfs/dbraw/zinc/00/79/45/236007945.db2.gz POFWQRYAHWBBRR-CJNGLKHVSA-N 2 2 270.376 3.046 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(F)ccc1F ZINC000423251469 236009128 /nfs/dbraw/zinc/00/91/28/236009128.db2.gz WHKYTTBDDQXOHI-MEDUHNTESA-N 2 2 276.330 3.315 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000423253234 236010024 /nfs/dbraw/zinc/01/00/24/236010024.db2.gz YUOUVBGIAXTFFS-MSOLQXFVSA-N 2 2 266.388 3.427 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423287560 236024958 /nfs/dbraw/zinc/02/49/58/236024958.db2.gz MXXCREPWKYMVRK-QMMMGPOBSA-N 2 2 292.757 3.329 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)o1 ZINC000423270857 236016722 /nfs/dbraw/zinc/01/67/22/236016722.db2.gz XDHGBWWEWBOKPN-TZMCWYRMSA-N 2 2 250.386 3.146 20 0 CGADLP Cc1cc([C@H]([NH2+]CC2([NH3+])CCC2)c2cccnc2)ccc1F ZINC000423334285 236042393 /nfs/dbraw/zinc/04/23/93/236042393.db2.gz SNSSEOOQFSBMRC-KRWDZBQOSA-N 2 2 299.393 3.090 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(Br)c1 ZINC000423362596 236050547 /nfs/dbraw/zinc/05/05/47/236050547.db2.gz NCLZXSRDPQVNIU-MJVIPROJSA-N 2 2 297.240 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000423361787 236050926 /nfs/dbraw/zinc/05/09/26/236050926.db2.gz MOZBXGCBIWVPQO-BHDSKKPTSA-N 2 2 270.779 3.128 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000423442201 236072185 /nfs/dbraw/zinc/07/21/85/236072185.db2.gz JPMGCQNLPRJBEQ-DCGLDWPTSA-N 2 2 272.367 3.240 20 0 CGADLP CCC[N@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071314877 283294532 /nfs/dbraw/zinc/29/45/32/283294532.db2.gz GZHSFWZWISTRFY-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP CCC[N@@H+](Cc1ccc(OC(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071314877 283294536 /nfs/dbraw/zinc/29/45/36/283294536.db2.gz GZHSFWZWISTRFY-INIZCTEOSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427878952 236351789 /nfs/dbraw/zinc/35/17/89/236351789.db2.gz RTUKULJEJYNFJL-NVXWUHKLSA-N 2 2 283.419 3.117 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000427868859 236351973 /nfs/dbraw/zinc/35/19/73/236351973.db2.gz BGBQQGGGSQQVNE-OCCSQVGLSA-N 2 2 285.416 3.025 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000428226556 236380803 /nfs/dbraw/zinc/38/08/03/236380803.db2.gz UXHNBZCWJIPLGO-OAHLLOKOSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000428226556 236380806 /nfs/dbraw/zinc/38/08/06/236380806.db2.gz UXHNBZCWJIPLGO-OAHLLOKOSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000428226556 236380811 /nfs/dbraw/zinc/38/08/11/236380811.db2.gz UXHNBZCWJIPLGO-OAHLLOKOSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000428226556 236380814 /nfs/dbraw/zinc/38/08/14/236380814.db2.gz UXHNBZCWJIPLGO-OAHLLOKOSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000428239147 236383951 /nfs/dbraw/zinc/38/39/51/236383951.db2.gz PPCNKRJEAHXVNN-JSGCOSHPSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000428239147 236383953 /nfs/dbraw/zinc/38/39/53/236383953.db2.gz PPCNKRJEAHXVNN-JSGCOSHPSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000428239147 236383954 /nfs/dbraw/zinc/38/39/54/236383954.db2.gz PPCNKRJEAHXVNN-JSGCOSHPSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000428239147 236383957 /nfs/dbraw/zinc/38/39/57/236383957.db2.gz PPCNKRJEAHXVNN-JSGCOSHPSA-N 2 2 279.428 3.021 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c[nH+]1 ZINC000428268974 236386442 /nfs/dbraw/zinc/38/64/42/236386442.db2.gz HGTOZEZWOHWUHC-MOPGFXCFSA-N 2 2 296.414 3.442 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336200146 213019613 /nfs/dbraw/zinc/01/96/13/213019613.db2.gz YODHXBDCZWKRPS-JQWIXIFHSA-N 2 2 293.773 3.341 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000436285358 237071650 /nfs/dbraw/zinc/07/16/50/237071650.db2.gz DSDIPNOFSQSIDQ-OALUTQOASA-N 2 2 286.463 3.473 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000296942677 200041607 /nfs/dbraw/zinc/04/16/07/200041607.db2.gz QMMGHUSVGCCRQE-XJKSGUPXSA-N 2 2 284.407 3.371 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000297298746 200139475 /nfs/dbraw/zinc/13/94/75/200139475.db2.gz BDBRGIHQJSMOOX-KRWDZBQOSA-N 2 2 287.382 3.329 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000297298746 200139477 /nfs/dbraw/zinc/13/94/77/200139477.db2.gz BDBRGIHQJSMOOX-KRWDZBQOSA-N 2 2 287.382 3.329 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297405380 200178399 /nfs/dbraw/zinc/17/83/99/200178399.db2.gz CMOBBOGXCCQYLZ-IAGOWNOFSA-N 2 2 269.392 3.151 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297405380 200178400 /nfs/dbraw/zinc/17/84/00/200178400.db2.gz CMOBBOGXCCQYLZ-IAGOWNOFSA-N 2 2 269.392 3.151 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000177204847 189036126 /nfs/dbraw/zinc/03/61/26/189036126.db2.gz OEHTUZJNNXCNQU-CQSZACIVSA-N 2 2 295.386 3.236 20 0 CGADLP c1coc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177582930 189058712 /nfs/dbraw/zinc/05/87/12/189058712.db2.gz IQJMTEVOTUFEIZ-UHFFFAOYSA-N 2 2 262.397 3.166 20 0 CGADLP COCCC[C@H](C)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000178500016 189121603 /nfs/dbraw/zinc/12/16/03/189121603.db2.gz KSWRDAPAIIPCIM-WMZOPIPTSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000178539335 189125251 /nfs/dbraw/zinc/12/52/51/189125251.db2.gz FBUQLGDRFMTQIY-HIFRSBDPSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000178539335 189125252 /nfs/dbraw/zinc/12/52/52/189125252.db2.gz FBUQLGDRFMTQIY-HIFRSBDPSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539335 189125253 /nfs/dbraw/zinc/12/52/53/189125253.db2.gz FBUQLGDRFMTQIY-HIFRSBDPSA-N 2 2 272.392 3.347 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)CC[NH+]1C ZINC000178539335 189125254 /nfs/dbraw/zinc/12/52/54/189125254.db2.gz FBUQLGDRFMTQIY-HIFRSBDPSA-N 2 2 272.392 3.347 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000119368201 370670585 /nfs/dbraw/zinc/67/05/85/370670585.db2.gz FMEXQZMDSIFFQY-OSMZGAPFSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000119368201 370670580 /nfs/dbraw/zinc/67/05/80/370670580.db2.gz FMEXQZMDSIFFQY-OSMZGAPFSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1c(Cl)c(C[NH2+]CC2([NH3+])CCC2)nc2ccccc12 ZINC000342121615 216226606 /nfs/dbraw/zinc/22/66/06/216226606.db2.gz ILNDZRDVEXIPFX-UHFFFAOYSA-N 2 2 289.810 3.168 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837696 240367644 /nfs/dbraw/zinc/36/76/44/240367644.db2.gz BJVKORKLHQVAPQ-GOEBONIOSA-N 2 2 274.408 3.291 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837696 240367647 /nfs/dbraw/zinc/36/76/47/240367647.db2.gz BJVKORKLHQVAPQ-GOEBONIOSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837696 240367649 /nfs/dbraw/zinc/36/76/49/240367649.db2.gz BJVKORKLHQVAPQ-GOEBONIOSA-N 2 2 274.408 3.291 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837696 240367653 /nfs/dbraw/zinc/36/76/53/240367653.db2.gz BJVKORKLHQVAPQ-GOEBONIOSA-N 2 2 274.408 3.291 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179568789 189202777 /nfs/dbraw/zinc/20/27/77/189202777.db2.gz YAWJYFZSIVFXLO-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179568789 189202778 /nfs/dbraw/zinc/20/27/78/189202778.db2.gz YAWJYFZSIVFXLO-LLVKDONJSA-N 2 2 283.297 3.109 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000179705224 189215088 /nfs/dbraw/zinc/21/50/88/189215088.db2.gz YKBZYXDELBQXRU-INIZCTEOSA-N 2 2 277.371 3.324 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000179705224 189215089 /nfs/dbraw/zinc/21/50/89/189215089.db2.gz YKBZYXDELBQXRU-INIZCTEOSA-N 2 2 277.371 3.324 20 0 CGADLP FC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000342208406 216260045 /nfs/dbraw/zinc/26/00/45/216260045.db2.gz LBMPSSRHIOVTAI-UHFFFAOYSA-N 2 2 273.355 3.244 20 0 CGADLP Cc1nc(NC[C@H](c2cccs2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301446826 201011897 /nfs/dbraw/zinc/01/18/97/201011897.db2.gz QGOWPDCAAZAFHN-CYBMUJFWSA-N 2 2 290.436 3.178 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000182186493 189316706 /nfs/dbraw/zinc/31/67/06/189316706.db2.gz DUNYCTKHNAJUJX-MRXNPFEDSA-N 2 2 273.355 3.080 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342333930 216315590 /nfs/dbraw/zinc/31/55/90/216315590.db2.gz SDVKPLVDKLDKMX-BXUZGUMPSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000342333930 216315592 /nfs/dbraw/zinc/31/55/92/216315592.db2.gz SDVKPLVDKLDKMX-BXUZGUMPSA-N 2 2 286.341 3.054 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301596761 201087421 /nfs/dbraw/zinc/08/74/21/201087421.db2.gz ZNUMFJNZMNEERC-NEPJUHHUSA-N 2 2 287.329 3.385 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301578141 201078313 /nfs/dbraw/zinc/07/83/13/201078313.db2.gz MVDBMXDVWXWMTQ-KBPBESRZSA-N 2 2 276.428 3.193 20 0 CGADLP CC[NH+]1CCC(CCNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000301584965 201080651 /nfs/dbraw/zinc/08/06/51/201080651.db2.gz OOIXLKJCSXIYMZ-UHFFFAOYSA-N 2 2 290.455 3.308 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000301614564 201098098 /nfs/dbraw/zinc/09/80/98/201098098.db2.gz AUCGPDIAMAPZPY-CQSZACIVSA-N 2 2 291.345 3.383 20 0 CGADLP c1csc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)n1 ZINC000182883646 189338377 /nfs/dbraw/zinc/33/83/77/189338377.db2.gz CONZKPQADJPHGZ-OAHLLOKOSA-N 2 2 298.415 3.109 20 0 CGADLP CC(C)c1cc(N(C)[C@H]2CCC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000301816258 201214822 /nfs/dbraw/zinc/21/48/22/201214822.db2.gz JFSAGHKGZOKXFK-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CC(C)c1cc(N(C)[C@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000301816258 201214825 /nfs/dbraw/zinc/21/48/25/201214825.db2.gz JFSAGHKGZOKXFK-AWEZNQCLSA-N 2 2 290.455 3.254 20 0 CGADLP CCCC[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301851045 201231293 /nfs/dbraw/zinc/23/12/93/201231293.db2.gz BBQIAUXNXYRRFD-UHFFFAOYSA-N 2 2 272.396 3.239 20 0 CGADLP Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301980563 201285692 /nfs/dbraw/zinc/28/56/92/201285692.db2.gz IBCFUYLXNWKCFZ-MRXNPFEDSA-N 2 2 287.382 3.434 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000449105353 239181360 /nfs/dbraw/zinc/18/13/60/239181360.db2.gz YMQVUGRXZLMBHZ-CYBMUJFWSA-N 2 2 283.375 3.309 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3ccoc32)CCC[N@@H+]1C ZINC000449236690 239260475 /nfs/dbraw/zinc/26/04/75/239260475.db2.gz YWQRJPSQUUPIOZ-SWLSCSKDSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3ccoc32)CCC[N@H+]1C ZINC000449236690 239260478 /nfs/dbraw/zinc/26/04/78/239260478.db2.gz YWQRJPSQUUPIOZ-SWLSCSKDSA-N 2 2 258.365 3.005 20 0 CGADLP Cc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1F ZINC000449298557 239298586 /nfs/dbraw/zinc/29/85/86/239298586.db2.gz KISFDDHSMYGLSE-UHFFFAOYSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119971816 370728090 /nfs/dbraw/zinc/72/80/90/370728090.db2.gz GMDMECKVZUNVGK-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119971816 370728093 /nfs/dbraw/zinc/72/80/93/370728093.db2.gz GMDMECKVZUNVGK-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000414126878 299344679 /nfs/dbraw/zinc/34/46/79/299344679.db2.gz FJQAJOBYESCSSM-UAHISNFZSA-N 2 2 260.425 3.312 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000451073143 240210907 /nfs/dbraw/zinc/21/09/07/240210907.db2.gz ILPCHTISCQODOA-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](CC2CC2)C1 ZINC000451073143 240210909 /nfs/dbraw/zinc/21/09/09/240210909.db2.gz ILPCHTISCQODOA-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000451073143 240210916 /nfs/dbraw/zinc/21/09/16/240210916.db2.gz ILPCHTISCQODOA-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000451073143 240210923 /nfs/dbraw/zinc/21/09/23/240210923.db2.gz ILPCHTISCQODOA-DLBZAZTESA-N 2 2 264.457 3.371 20 0 CGADLP CS[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451322898 240274030 /nfs/dbraw/zinc/27/40/30/240274030.db2.gz GXYHYTGFGOMJPQ-MRXNPFEDSA-N 2 2 287.432 3.118 20 0 CGADLP CS[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000451322898 240274034 /nfs/dbraw/zinc/27/40/34/240274034.db2.gz GXYHYTGFGOMJPQ-MRXNPFEDSA-N 2 2 287.432 3.118 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451987093 240391152 /nfs/dbraw/zinc/39/11/52/240391152.db2.gz JIOHFZQHPMIMFE-KRWDZBQOSA-N 2 2 287.382 3.476 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451987093 240391157 /nfs/dbraw/zinc/39/11/57/240391157.db2.gz JIOHFZQHPMIMFE-KRWDZBQOSA-N 2 2 287.382 3.476 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)on1 ZINC000121150274 370834747 /nfs/dbraw/zinc/83/47/47/370834747.db2.gz HNHCXXMIPZZILG-BBRMVZONSA-N 2 2 293.455 3.398 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)on1 ZINC000121150274 370834757 /nfs/dbraw/zinc/83/47/57/370834757.db2.gz HNHCXXMIPZZILG-BBRMVZONSA-N 2 2 293.455 3.398 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000459348366 242083569 /nfs/dbraw/zinc/08/35/69/242083569.db2.gz HCLKBNOQANPUJH-GOSISDBHSA-N 2 2 281.403 3.115 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000459348366 242083575 /nfs/dbraw/zinc/08/35/75/242083575.db2.gz HCLKBNOQANPUJH-GOSISDBHSA-N 2 2 281.403 3.115 20 0 CGADLP c1cn(Cc2ccc(NC3CC4(CCC4)C3)[nH+]c2)c[nH+]1 ZINC000459542628 242127623 /nfs/dbraw/zinc/12/76/23/242127623.db2.gz ATNIXWXFKWTCHS-UHFFFAOYSA-N 2 2 268.364 3.071 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000459355484 242088644 /nfs/dbraw/zinc/08/86/44/242088644.db2.gz NLBNTCXIXKVEIK-UHFFFAOYSA-N 2 2 275.440 3.399 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000459355484 242088646 /nfs/dbraw/zinc/08/86/46/242088646.db2.gz NLBNTCXIXKVEIK-UHFFFAOYSA-N 2 2 275.440 3.399 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659472 242166548 /nfs/dbraw/zinc/16/65/48/242166548.db2.gz KDCNXHINFSOKBW-UONOGXRCSA-N 2 2 251.418 3.013 20 0 CGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000459669568 242170937 /nfs/dbraw/zinc/17/09/37/242170937.db2.gz DMRMGVVPMWQETH-RHSMWYFYSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000459669568 242170941 /nfs/dbraw/zinc/17/09/41/242170941.db2.gz DMRMGVVPMWQETH-RHSMWYFYSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1Cl ZINC000462816229 242366598 /nfs/dbraw/zinc/36/65/98/242366598.db2.gz FIZCFJHIGUQHJC-CXAGYDPISA-N 2 2 292.854 3.263 20 0 CGADLP Cc1cc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1Cl ZINC000462816229 242366602 /nfs/dbraw/zinc/36/66/02/242366602.db2.gz FIZCFJHIGUQHJC-CXAGYDPISA-N 2 2 292.854 3.263 20 0 CGADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000001540827 368418201 /nfs/dbraw/zinc/41/82/01/368418201.db2.gz RZCYXMXTUQVUAN-HNNXBMFYSA-N 2 2 275.783 3.204 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000480686540 243162539 /nfs/dbraw/zinc/16/25/39/243162539.db2.gz ZPWOSPUALIJFSY-ZDUSSCGKSA-N 2 2 278.362 3.349 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000480686540 243162543 /nfs/dbraw/zinc/16/25/43/243162543.db2.gz ZPWOSPUALIJFSY-ZDUSSCGKSA-N 2 2 278.362 3.349 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@H+](C)C(C)C ZINC000482089172 243215916 /nfs/dbraw/zinc/21/59/16/243215916.db2.gz PHDAQZFFTCEFQW-QGZVFWFLSA-N 2 2 280.431 3.323 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000482089172 243215920 /nfs/dbraw/zinc/21/59/20/243215920.db2.gz PHDAQZFFTCEFQW-QGZVFWFLSA-N 2 2 280.431 3.323 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C1CCCCC1 ZINC000482248262 243222430 /nfs/dbraw/zinc/22/24/30/243222430.db2.gz WRKFVOMWDLMOFX-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C1CCCCC1 ZINC000482248262 243222434 /nfs/dbraw/zinc/22/24/34/243222434.db2.gz WRKFVOMWDLMOFX-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000483707577 243295243 /nfs/dbraw/zinc/29/52/43/243295243.db2.gz AVVJONNWYVJRCW-OIISXLGYSA-N 2 2 274.452 3.283 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)c1ccccc1 ZINC000483707577 243295246 /nfs/dbraw/zinc/29/52/46/243295246.db2.gz AVVJONNWYVJRCW-OIISXLGYSA-N 2 2 274.452 3.283 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000486961616 243386172 /nfs/dbraw/zinc/38/61/72/243386172.db2.gz CKRWBQSEYZYSRW-RHSMWYFYSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1csc(C(C)(C)[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000125217809 370932796 /nfs/dbraw/zinc/93/27/96/370932796.db2.gz DDHSFSPDAIFZMP-UHFFFAOYSA-N 2 2 281.469 3.152 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000019908178 368780762 /nfs/dbraw/zinc/78/07/62/368780762.db2.gz SITRIWFSFPTPCP-UHFFFAOYSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC)cc1 ZINC000019960469 368791168 /nfs/dbraw/zinc/79/11/68/368791168.db2.gz GKOISIKLSADACR-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC)cc1 ZINC000019960469 368791171 /nfs/dbraw/zinc/79/11/71/368791171.db2.gz GKOISIKLSADACR-DOTOQJQBSA-N 2 2 276.424 3.220 20 0 CGADLP CCC(CC)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932180 369039830 /nfs/dbraw/zinc/03/98/30/369039830.db2.gz XAVYKIZCVJSXGI-UHFFFAOYSA-N 2 2 261.413 3.076 20 0 CGADLP c1csc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000034992618 368987003 /nfs/dbraw/zinc/98/70/03/368987003.db2.gz ZNLSKLSEFHRMOJ-UHFFFAOYSA-N 2 2 283.400 3.266 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157600 369073237 /nfs/dbraw/zinc/07/32/37/369073237.db2.gz SJLXAZFIXKFVDH-ZIAGYGMSSA-N 2 2 257.381 3.185 20 0 CGADLP C[C@@H]([NH2+]Cc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041012394 369169340 /nfs/dbraw/zinc/16/93/40/369169340.db2.gz UZNRVGBUUZOCIQ-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000041119611 369174395 /nfs/dbraw/zinc/17/43/95/369174395.db2.gz GUHRDXHCJMDQTD-OAHLLOKOSA-N 2 2 271.408 3.229 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000040591696 369160076 /nfs/dbraw/zinc/16/00/76/369160076.db2.gz OHIQYUGQUHVWBF-NWDGAFQWSA-N 2 2 284.806 3.472 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000040591696 369160082 /nfs/dbraw/zinc/16/00/82/369160082.db2.gz OHIQYUGQUHVWBF-NWDGAFQWSA-N 2 2 284.806 3.472 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000041677267 369195122 /nfs/dbraw/zinc/19/51/22/369195122.db2.gz ZBUKVCVSESSJNB-CYBMUJFWSA-N 2 2 264.417 3.051 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669690 244208638 /nfs/dbraw/zinc/20/86/38/244208638.db2.gz OYOBVOHBYVWZLA-YPCVUPECSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC000493669690 244208641 /nfs/dbraw/zinc/20/86/41/244208641.db2.gz OYOBVOHBYVWZLA-YPCVUPECSA-N 2 2 290.426 3.392 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)[C@@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889221 244252078 /nfs/dbraw/zinc/25/20/78/244252078.db2.gz SQMDXCQHBYNCSP-KBAYOESNSA-N 2 2 290.451 3.227 20 0 CGADLP COCC(C)(C)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000494371059 244282848 /nfs/dbraw/zinc/28/28/48/244282848.db2.gz SXUVPWOZAQQQQR-AWEZNQCLSA-N 2 2 296.480 3.147 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000494880597 244326193 /nfs/dbraw/zinc/32/61/93/244326193.db2.gz STSWCAIVVNHANJ-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP c1ccc([C@H]([NH2+]CC[NH+]2CCCCC2)C2CC2)cc1 ZINC000049575028 369410445 /nfs/dbraw/zinc/41/04/45/369410445.db2.gz LYIPKBRNKQUKEQ-KRWDZBQOSA-N 2 2 258.409 3.213 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000049855414 369418053 /nfs/dbraw/zinc/41/80/53/369418053.db2.gz GSGUTUZJNPZCON-YOEHRIQHSA-N 2 2 285.391 3.092 20 0 CGADLP C[C@H]([NH2+]CCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000276168192 193230771 /nfs/dbraw/zinc/23/07/71/193230771.db2.gz DVIDOTQGWYDHAA-NSHDSACASA-N 2 2 283.297 3.475 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465551 369503121 /nfs/dbraw/zinc/50/31/21/369503121.db2.gz BILWUINTHKGQKH-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465551 369503126 /nfs/dbraw/zinc/50/31/26/369503126.db2.gz BILWUINTHKGQKH-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@@H]([NH2+]CCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000276168189 193231426 /nfs/dbraw/zinc/23/14/26/193231426.db2.gz DVIDOTQGWYDHAA-LLVKDONJSA-N 2 2 283.297 3.475 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000054918186 369507655 /nfs/dbraw/zinc/50/76/55/369507655.db2.gz IILUASKDQHQOAK-CYBMUJFWSA-N 2 2 281.469 3.060 20 0 CGADLP CCc1nc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000054918186 369507660 /nfs/dbraw/zinc/50/76/60/369507660.db2.gz IILUASKDQHQOAK-CYBMUJFWSA-N 2 2 281.469 3.060 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccc2n1 ZINC000276248544 193256319 /nfs/dbraw/zinc/25/63/19/193256319.db2.gz OTUOJYGQGPRQCG-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)ccc2n1 ZINC000276248544 193256320 /nfs/dbraw/zinc/25/63/20/193256320.db2.gz OTUOJYGQGPRQCG-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)ccc2n1 ZINC000276248544 193256322 /nfs/dbraw/zinc/25/63/22/193256322.db2.gz OTUOJYGQGPRQCG-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)ccc2n1 ZINC000276248544 193256324 /nfs/dbraw/zinc/25/63/24/193256324.db2.gz OTUOJYGQGPRQCG-QFBILLFUSA-N 2 2 295.430 3.069 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CCCO1 ZINC000061823392 369608626 /nfs/dbraw/zinc/60/86/26/369608626.db2.gz NPDMJZOXLYMBRD-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N[C@H](C)CC[NH+](C)C ZINC000063106025 369641098 /nfs/dbraw/zinc/64/10/98/369641098.db2.gz GDKWPROBIQDEJZ-CYBMUJFWSA-N 2 2 257.381 3.295 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344248 296148926 /nfs/dbraw/zinc/14/89/26/296148926.db2.gz JVMUQVUQWVMFFS-SUNKGSAMSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000080428681 369988205 /nfs/dbraw/zinc/98/82/05/369988205.db2.gz DXCXEDGEIQKFFO-JSGCOSHPSA-N 2 2 257.381 3.123 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000090721838 370066625 /nfs/dbraw/zinc/06/66/25/370066625.db2.gz HZXQQYXTVOUHSS-AAEUAGOBSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000090721838 370066630 /nfs/dbraw/zinc/06/66/30/370066630.db2.gz HZXQQYXTVOUHSS-AAEUAGOBSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1nccs1 ZINC000093400704 370124017 /nfs/dbraw/zinc/12/40/17/370124017.db2.gz UEHMQNKZLXCOGA-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000093645012 370154134 /nfs/dbraw/zinc/15/41/34/370154134.db2.gz FKFYNUSGCUROAN-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000093645012 370154140 /nfs/dbraw/zinc/15/41/40/370154140.db2.gz FKFYNUSGCUROAN-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645012 370154143 /nfs/dbraw/zinc/15/41/43/370154143.db2.gz FKFYNUSGCUROAN-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645012 370154146 /nfs/dbraw/zinc/15/41/46/370154146.db2.gz FKFYNUSGCUROAN-AAEUAGOBSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC3([NH+](C)C)CCC3)C2)cc1 ZINC000097927774 370257609 /nfs/dbraw/zinc/25/76/09/370257609.db2.gz ASLMUODXFBGIHD-UHFFFAOYSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1cccnc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000103712420 370333126 /nfs/dbraw/zinc/33/31/26/370333126.db2.gz SZFFMEPJCADJCC-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289512 220010488 /nfs/dbraw/zinc/01/04/88/220010488.db2.gz JDFRRQUJCOGZFY-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCC(F)(F)CC2)C1 ZINC000353289512 220010489 /nfs/dbraw/zinc/01/04/89/220010489.db2.gz JDFRRQUJCOGZFY-TZMCWYRMSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2cccn2C)[NH+]2CCCC2)cc1 ZINC000118943654 370629889 /nfs/dbraw/zinc/62/98/89/370629889.db2.gz JBXCPAIZSNNADM-LJQANCHMSA-N 2 2 297.446 3.260 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130192008 371016468 /nfs/dbraw/zinc/01/64/68/371016468.db2.gz PBKZGNOYKTYTLZ-NWANDNLSSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130192008 371016471 /nfs/dbraw/zinc/01/64/71/371016471.db2.gz PBKZGNOYKTYTLZ-NWANDNLSSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132280061 371164238 /nfs/dbraw/zinc/16/42/38/371164238.db2.gz GPLYWDSWBNHZAO-LJQANCHMSA-N 2 2 297.446 3.498 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000132895744 371210332 /nfs/dbraw/zinc/21/03/32/371210332.db2.gz BVZVUIQSQNSOCH-GOSISDBHSA-N 2 2 295.361 3.401 20 0 CGADLP C[N@H+](C/C=C/Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000135228506 371402715 /nfs/dbraw/zinc/40/27/15/371402715.db2.gz BXHOUBJCAZDWOB-BJMVGYQFSA-N 2 2 278.827 3.335 20 0 CGADLP C[N@@H+](C/C=C/Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000135228506 371402719 /nfs/dbraw/zinc/40/27/19/371402719.db2.gz BXHOUBJCAZDWOB-BJMVGYQFSA-N 2 2 278.827 3.335 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150770226 371538286 /nfs/dbraw/zinc/53/82/86/371538286.db2.gz MUFNDUABSIDAOS-OAHLLOKOSA-N 2 2 278.827 3.258 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150770226 371538294 /nfs/dbraw/zinc/53/82/94/371538294.db2.gz MUFNDUABSIDAOS-OAHLLOKOSA-N 2 2 278.827 3.258 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831042 371541065 /nfs/dbraw/zinc/54/10/65/371541065.db2.gz YKQKNJJOPWVSRX-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831042 371541068 /nfs/dbraw/zinc/54/10/68/371541068.db2.gz YKQKNJJOPWVSRX-UONOGXRCSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000151112545 371570219 /nfs/dbraw/zinc/57/02/19/371570219.db2.gz IMQCXFHTUOMDTG-SUMWQHHRSA-N 2 2 287.382 3.326 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000151688465 371626051 /nfs/dbraw/zinc/62/60/51/371626051.db2.gz ZTVGOHJTPTUYMF-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000421823237 371646096 /nfs/dbraw/zinc/64/60/96/371646096.db2.gz YYJUMEDDQKRECT-NWDGAFQWSA-N 2 2 293.798 3.284 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000152767890 371722687 /nfs/dbraw/zinc/72/26/87/371722687.db2.gz UDHKFEQMRADXIX-GFCCVEGCSA-N 2 2 275.421 3.174 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000152265832 371686437 /nfs/dbraw/zinc/68/64/37/371686437.db2.gz VHDHMAYSRQJYGG-QGZVFWFLSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000422765873 371792819 /nfs/dbraw/zinc/79/28/19/371792819.db2.gz PMYVTDQLTWBAIT-JKSUJKDBSA-N 2 2 286.444 3.292 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422733767 371774668 /nfs/dbraw/zinc/77/46/68/371774668.db2.gz RPXYETVUQVOJCD-UHIISALHSA-N 2 2 286.341 3.497 20 0 CGADLP CC(C)COCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337321896 214005539 /nfs/dbraw/zinc/00/55/39/214005539.db2.gz QLXXRVUERFYUCV-UHFFFAOYSA-N 2 2 293.455 3.048 20 0 CGADLP C[C@H]([NH2+]Cc1csc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422757561 371787035 /nfs/dbraw/zinc/78/70/35/371787035.db2.gz JRBADZMNAUILER-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000422775094 371799610 /nfs/dbraw/zinc/79/96/10/371799610.db2.gz ZWRWTXHGZKLYLP-YRGRVCCFSA-N 2 2 258.365 3.224 20 0 CGADLP CCCCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422893334 371857863 /nfs/dbraw/zinc/85/78/63/371857863.db2.gz QBNIALLMSCFALB-YOEHRIQHSA-N 2 2 276.424 3.096 20 0 CGADLP COC1CCC([N@H+](C)CCCc2c[nH+]ccc2C)CC1 ZINC000290037858 371886089 /nfs/dbraw/zinc/88/60/89/371886089.db2.gz NVBQMWSSWBNOKM-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP COC1CCC([N@@H+](C)CCCc2c[nH+]ccc2C)CC1 ZINC000290037858 371886094 /nfs/dbraw/zinc/88/60/94/371886094.db2.gz NVBQMWSSWBNOKM-UHFFFAOYSA-N 2 2 276.424 3.212 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422927164 371875496 /nfs/dbraw/zinc/87/54/96/371875496.db2.gz FVQWDQQWNWELRJ-ILXRZTDVSA-N 2 2 276.449 3.344 20 0 CGADLP COc1ccc(C2([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000422943627 371883123 /nfs/dbraw/zinc/88/31/23/371883123.db2.gz YOHFWFRSIDGBGN-ZWKOTPCHSA-N 2 2 294.398 3.419 20 0 CGADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422958650 371891292 /nfs/dbraw/zinc/89/12/92/371891292.db2.gz YMSSNJLDZHSAPR-KURKYZTESA-N 2 2 282.387 3.109 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC=C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423064644 371943902 /nfs/dbraw/zinc/94/39/02/371943902.db2.gz ADTQWJDFEBCUJY-DLBZAZTESA-N 2 2 274.408 3.044 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(C(C)(C)C)s1 ZINC000290385661 371978490 /nfs/dbraw/zinc/97/84/90/371978490.db2.gz IKTJSRDCIHHTKA-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(C(C)(C)C)s1 ZINC000290385661 371978500 /nfs/dbraw/zinc/97/85/00/371978500.db2.gz IKTJSRDCIHHTKA-UHFFFAOYSA-N 2 2 292.452 3.159 20 0 CGADLP Cc1ccc(C[N@H+](CCO)CCCc2c[nH+]ccc2C)cc1 ZINC000290389160 371979481 /nfs/dbraw/zinc/97/94/81/371979481.db2.gz OMRKOVKUAZAAMT-UHFFFAOYSA-N 2 2 298.430 3.126 20 0 CGADLP Cc1ccc(C[N@@H+](CCO)CCCc2c[nH+]ccc2C)cc1 ZINC000290389160 371979484 /nfs/dbraw/zinc/97/94/84/371979484.db2.gz OMRKOVKUAZAAMT-UHFFFAOYSA-N 2 2 298.430 3.126 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000290404639 371983412 /nfs/dbraw/zinc/98/34/12/371983412.db2.gz JQCYMEPXELFFEU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000290404639 371983418 /nfs/dbraw/zinc/98/34/18/371983418.db2.gz JQCYMEPXELFFEU-UHFFFAOYSA-N 2 2 277.799 3.367 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000156560519 371984228 /nfs/dbraw/zinc/98/42/28/371984228.db2.gz NXQPNQSLEDVWJF-GXTWGEPZSA-N 2 2 296.842 3.484 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000156560519 371984231 /nfs/dbraw/zinc/98/42/31/371984231.db2.gz NXQPNQSLEDVWJF-GXTWGEPZSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452444 371991760 /nfs/dbraw/zinc/99/17/60/371991760.db2.gz MLGJQULQKZUYAA-BXUZGUMPSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Cl)c1F ZINC000290452444 371991761 /nfs/dbraw/zinc/99/17/61/371991761.db2.gz MLGJQULQKZUYAA-BXUZGUMPSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Cl)c1F ZINC000290452444 371991763 /nfs/dbraw/zinc/99/17/63/371991763.db2.gz MLGJQULQKZUYAA-BXUZGUMPSA-N 2 2 284.806 3.251 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Cl)c1F ZINC000290452444 371991764 /nfs/dbraw/zinc/99/17/64/371991764.db2.gz MLGJQULQKZUYAA-BXUZGUMPSA-N 2 2 284.806 3.251 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423077469 371950374 /nfs/dbraw/zinc/95/03/74/371950374.db2.gz TXYVYNBINYETOL-YOEHRIQHSA-N 2 2 275.440 3.129 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000290554280 372016575 /nfs/dbraw/zinc/01/65/75/372016575.db2.gz ZETLDVKVZYOQPX-LJQANCHMSA-N 2 2 298.430 3.426 20 0 CGADLP CC(C)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000290627100 372030695 /nfs/dbraw/zinc/03/06/95/372030695.db2.gz XQSKVDGHPVFSIO-DLBZAZTESA-N 2 2 269.392 3.357 20 0 CGADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000423236650 372041780 /nfs/dbraw/zinc/04/17/80/372041780.db2.gz OUJZYYDAGABHIH-OLZOCXBDSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccsc2S1 ZINC000423310984 372050138 /nfs/dbraw/zinc/05/01/38/372050138.db2.gz BBXAWIYGYPOSIA-KPXOXKRLSA-N 2 2 268.451 3.000 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423374933 372056949 /nfs/dbraw/zinc/05/69/49/372056949.db2.gz UCUCFHYWNFEXKT-NHYWBVRUSA-N 2 2 260.381 3.457 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1cc2c(ccc3ccccc23)o1 ZINC000423180677 372008455 /nfs/dbraw/zinc/00/84/55/372008455.db2.gz IIPUJWJHLSKXQB-NSHDSACASA-N 2 2 254.333 3.195 20 0 CGADLP Fc1ccccc1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423180549 372008464 /nfs/dbraw/zinc/00/84/64/372008464.db2.gz FFCLGCKCORKHMR-PKOBYXMFSA-N 2 2 298.405 3.451 20 0 CGADLP CO[C@@](C)(C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C1CC1 ZINC000291025083 372098159 /nfs/dbraw/zinc/09/81/59/372098159.db2.gz HSTIYJFIAZIZBX-SFHVURJKSA-N 2 2 299.418 3.085 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCO[C@@H](C)C3)cc2)c1C ZINC000291029906 372099267 /nfs/dbraw/zinc/09/92/67/372099267.db2.gz BINMLHLLOGOWPE-BLLLJJGKSA-N 2 2 285.391 3.469 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344290684 217135780 /nfs/dbraw/zinc/13/57/80/217135780.db2.gz MIIQVDUCGUWPDE-FHLIZLRMSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344290684 217135782 /nfs/dbraw/zinc/13/57/82/217135782.db2.gz MIIQVDUCGUWPDE-FHLIZLRMSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000292917515 372247454 /nfs/dbraw/zinc/24/74/54/372247454.db2.gz FXSIMNBELARWSZ-VKZRIFJHSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000292917515 372247462 /nfs/dbraw/zinc/24/74/62/372247462.db2.gz FXSIMNBELARWSZ-VKZRIFJHSA-N 2 2 270.420 3.005 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]2CCC[C@@H]21 ZINC000292991739 372270641 /nfs/dbraw/zinc/27/06/41/372270641.db2.gz IGCVMWKSTKEKHY-JKSUJKDBSA-N 2 2 296.418 3.278 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]2CCC[C@@H]21 ZINC000292991739 372270649 /nfs/dbraw/zinc/27/06/49/372270649.db2.gz IGCVMWKSTKEKHY-JKSUJKDBSA-N 2 2 296.418 3.278 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000428937841 372285057 /nfs/dbraw/zinc/28/50/57/372285057.db2.gz HDVUTAZAONAAGQ-CQSZACIVSA-N 2 2 279.428 3.023 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000428937841 372285063 /nfs/dbraw/zinc/28/50/63/372285063.db2.gz HDVUTAZAONAAGQ-CQSZACIVSA-N 2 2 279.428 3.023 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429036762 372307483 /nfs/dbraw/zinc/30/74/83/372307483.db2.gz REMDFHAPWGAWGA-SJORKVTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429036762 372307487 /nfs/dbraw/zinc/30/74/87/372307487.db2.gz REMDFHAPWGAWGA-SJORKVTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429036762 372307491 /nfs/dbraw/zinc/30/74/91/372307491.db2.gz REMDFHAPWGAWGA-SJORKVTESA-N 2 2 294.389 3.444 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429036762 372307496 /nfs/dbraw/zinc/30/74/96/372307496.db2.gz REMDFHAPWGAWGA-SJORKVTESA-N 2 2 294.389 3.444 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000430558739 372390298 /nfs/dbraw/zinc/39/02/98/372390298.db2.gz RHDZQSIPGNFCTD-MRXNPFEDSA-N 2 2 291.826 3.351 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293665337 372442017 /nfs/dbraw/zinc/44/20/17/372442017.db2.gz UHITZAHXGVAWNI-KDOFPFPSSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293665337 372442025 /nfs/dbraw/zinc/44/20/25/372442025.db2.gz UHITZAHXGVAWNI-KDOFPFPSSA-N 2 2 299.418 3.126 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@@H+]1C ZINC000293718480 372460472 /nfs/dbraw/zinc/46/04/72/372460472.db2.gz PJOSSEFDIZUKNV-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2F)CC[N@H+]1C ZINC000293718480 372460479 /nfs/dbraw/zinc/46/04/79/372460479.db2.gz PJOSSEFDIZUKNV-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000163453446 372470867 /nfs/dbraw/zinc/47/08/67/372470867.db2.gz KEGRZZFTBXMFAJ-HNNXBMFYSA-N 2 2 261.344 3.153 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000163742057 372489794 /nfs/dbraw/zinc/48/97/94/372489794.db2.gz KACWPKCQCUHKHR-HNNXBMFYSA-N 2 2 290.451 3.043 20 0 CGADLP Cc1nocc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000293973840 372542701 /nfs/dbraw/zinc/54/27/01/372542701.db2.gz QVXQTGZHJTVNKF-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1nocc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000293973840 372542706 /nfs/dbraw/zinc/54/27/06/372542706.db2.gz QVXQTGZHJTVNKF-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433081530 372580452 /nfs/dbraw/zinc/58/04/52/372580452.db2.gz HGCXHSSKQIIYTP-WMZOPIPTSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433081530 372580456 /nfs/dbraw/zinc/58/04/56/372580456.db2.gz HGCXHSSKQIIYTP-WMZOPIPTSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294197056 372611192 /nfs/dbraw/zinc/61/11/92/372611192.db2.gz KPJJVYRXEMBNLP-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000294197056 372611199 /nfs/dbraw/zinc/61/11/99/372611199.db2.gz KPJJVYRXEMBNLP-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccccc32)CC[N@@H+]1C ZINC000168709211 372617574 /nfs/dbraw/zinc/61/75/74/372617574.db2.gz YKABKDLOUBBFNZ-JSGCOSHPSA-N 2 2 255.365 3.129 20 0 CGADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccccc32)CC[N@H+]1C ZINC000168709211 372617579 /nfs/dbraw/zinc/61/75/79/372617579.db2.gz YKABKDLOUBBFNZ-JSGCOSHPSA-N 2 2 255.365 3.129 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000168752253 372619665 /nfs/dbraw/zinc/61/96/65/372619665.db2.gz JGNMKZOLOUGBMG-OOHWJJMZSA-N 2 2 260.425 3.253 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000295679512 372872934 /nfs/dbraw/zinc/87/29/34/372872934.db2.gz KVGYRKFEDNBBNN-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cnccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000295679512 372872939 /nfs/dbraw/zinc/87/29/39/372872939.db2.gz KVGYRKFEDNBBNN-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP FCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353514497 220130195 /nfs/dbraw/zinc/13/01/95/220130195.db2.gz HDOJSGPSRIMBIH-DOTOQJQBSA-N 2 2 287.382 3.490 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535119 220141144 /nfs/dbraw/zinc/14/11/44/220141144.db2.gz JZXDKIDGZNGTPA-MSOLQXFVSA-N 2 2 288.410 3.445 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000353535119 220141147 /nfs/dbraw/zinc/14/11/47/220141147.db2.gz JZXDKIDGZNGTPA-MSOLQXFVSA-N 2 2 288.410 3.445 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccccc1F ZINC000353541085 220147451 /nfs/dbraw/zinc/14/74/51/220147451.db2.gz HAQJECWJPKFZOH-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccccc1F ZINC000353541085 220147453 /nfs/dbraw/zinc/14/74/53/220147453.db2.gz HAQJECWJPKFZOH-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccccc1F)Cc1ccco1 ZINC000353541085 220147457 /nfs/dbraw/zinc/14/74/57/220147457.db2.gz HAQJECWJPKFZOH-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccccc1F)Cc1ccco1 ZINC000353541085 220147458 /nfs/dbraw/zinc/14/74/58/220147458.db2.gz HAQJECWJPKFZOH-UHFFFAOYSA-N 2 2 290.382 3.373 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCOC4(CCC4)C3)[nH]c2c1 ZINC000296554955 373175862 /nfs/dbraw/zinc/17/58/62/373175862.db2.gz UUGXAXCQFCHFLQ-CQSZACIVSA-N 2 2 299.418 3.187 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000174217980 373270015 /nfs/dbraw/zinc/27/00/15/373270015.db2.gz CPIAEWLYWVMPMM-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000174217980 373270017 /nfs/dbraw/zinc/27/00/17/373270017.db2.gz CPIAEWLYWVMPMM-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000174413952 373311327 /nfs/dbraw/zinc/31/13/27/373311327.db2.gz ODBLPRRPQHDBPL-KBPBESRZSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C1 ZINC000174413965 373311826 /nfs/dbraw/zinc/31/18/26/373311826.db2.gz ODBLPRRPQHDBPL-ZIAGYGMSSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000447574240 373454614 /nfs/dbraw/zinc/45/46/14/373454614.db2.gz UZFWLVWDJFSQJG-GYSYKLTISA-N 2 2 297.240 3.050 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000447574240 373454618 /nfs/dbraw/zinc/45/46/18/373454618.db2.gz UZFWLVWDJFSQJG-GYSYKLTISA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447813677 373496355 /nfs/dbraw/zinc/49/63/55/373496355.db2.gz UABJJHFVBLGBAW-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000447813677 373496361 /nfs/dbraw/zinc/49/63/61/373496361.db2.gz UABJJHFVBLGBAW-JKSUJKDBSA-N 2 2 260.425 3.112 20 0 CGADLP C[N@H+](CCNc1[nH]c2ccccc2[nH+]1)Cc1ccc(F)cc1 ZINC000301058695 373643222 /nfs/dbraw/zinc/64/32/22/373643222.db2.gz DCGORIWZHWKFFP-UHFFFAOYSA-N 2 2 298.365 3.246 20 0 CGADLP c1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC000299915607 373615637 /nfs/dbraw/zinc/61/56/37/373615637.db2.gz GOQGGHLGBASSEQ-MSOLQXFVSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC000299915607 373615643 /nfs/dbraw/zinc/61/56/43/373615643.db2.gz GOQGGHLGBASSEQ-MSOLQXFVSA-N 2 2 266.388 3.024 20 0 CGADLP CO[C@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000449483741 373773512 /nfs/dbraw/zinc/77/35/12/373773512.db2.gz KDEMIWISZSNGSL-LJQANCHMSA-N 2 2 298.430 3.474 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccsc1 ZINC000177911356 373724994 /nfs/dbraw/zinc/72/49/94/373724994.db2.gz DGBOWPAWFIMQPF-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000289552332 197399716 /nfs/dbraw/zinc/39/97/16/197399716.db2.gz XFMPVEQZSNBLIH-KRWDZBQOSA-N 2 2 287.407 3.365 20 0 CGADLP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000289552332 197399718 /nfs/dbraw/zinc/39/97/18/197399718.db2.gz XFMPVEQZSNBLIH-KRWDZBQOSA-N 2 2 287.407 3.365 20 0 CGADLP Cc1cc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nc[nH+]1 ZINC000301312253 373743307 /nfs/dbraw/zinc/74/33/07/373743307.db2.gz ILNYIAQEDZRGAA-OAHLLOKOSA-N 2 2 296.418 3.423 20 0 CGADLP FCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000449464754 373748539 /nfs/dbraw/zinc/74/85/39/373748539.db2.gz ZDJKZBHQTRYEKF-UHFFFAOYSA-N 2 2 279.384 3.115 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000178307606 373764331 /nfs/dbraw/zinc/76/43/31/373764331.db2.gz OAVSDLTXBGVKEQ-ZDUSSCGKSA-N 2 2 298.377 3.343 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329114 373767611 /nfs/dbraw/zinc/76/76/11/373767611.db2.gz KANQGWPCCZVBFI-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000178329114 373767616 /nfs/dbraw/zinc/76/76/16/373767616.db2.gz KANQGWPCCZVBFI-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000178798815 373810643 /nfs/dbraw/zinc/81/06/43/373810643.db2.gz PYMTZPCPSBWIIS-KRWDZBQOSA-N 2 2 294.402 3.288 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449528095 373825488 /nfs/dbraw/zinc/82/54/88/373825488.db2.gz NBEONNYBUQPIMH-UHFFFAOYSA-N 3 2 277.456 3.033 20 0 CGADLP c1cn2c(cccc2C[NH2+]CCc2c[nH]c3ccccc23)[nH+]1 ZINC000179036061 373829227 /nfs/dbraw/zinc/82/92/27/373829227.db2.gz RUDNGCBDQXUQBZ-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP COC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449782339 373913542 /nfs/dbraw/zinc/91/35/42/373913542.db2.gz YWLIPTXREFPBSE-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP COC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449782339 373913548 /nfs/dbraw/zinc/91/35/48/373913548.db2.gz YWLIPTXREFPBSE-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000179835146 373925666 /nfs/dbraw/zinc/92/56/66/373925666.db2.gz LNKGRLZXIHHMGW-BBRMVZONSA-N 2 2 276.424 3.365 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180192596 373975991 /nfs/dbraw/zinc/97/59/91/373975991.db2.gz PSKXAWHPZANXNO-CQSZACIVSA-N 2 2 295.386 3.103 20 0 CGADLP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180192596 373975994 /nfs/dbraw/zinc/97/59/94/373975994.db2.gz PSKXAWHPZANXNO-CQSZACIVSA-N 2 2 295.386 3.103 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc2C1 ZINC000180263749 373985067 /nfs/dbraw/zinc/98/50/67/373985067.db2.gz IEMDJIKGAATGHP-KRWDZBQOSA-N 2 2 291.398 3.324 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCc2ccccc2C1 ZINC000180263749 373985074 /nfs/dbraw/zinc/98/50/74/373985074.db2.gz IEMDJIKGAATGHP-KRWDZBQOSA-N 2 2 291.398 3.324 20 0 CGADLP Cc1ccc(C[N@@H+](CCc2c[nH+]cn2C)C(C)C)s1 ZINC000289506398 197382328 /nfs/dbraw/zinc/38/23/28/197382328.db2.gz DYUSMXMMGXACOC-UHFFFAOYSA-N 2 2 277.437 3.243 20 0 CGADLP Cc1ccc(C[N@H+](CCc2c[nH+]cn2C)C(C)C)s1 ZINC000289506398 197382329 /nfs/dbraw/zinc/38/23/29/197382329.db2.gz DYUSMXMMGXACOC-UHFFFAOYSA-N 2 2 277.437 3.243 20 0 CGADLP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668144 374033134 /nfs/dbraw/zinc/03/31/34/374033134.db2.gz XRCJDEXRCOJDCB-UKRRQHHQSA-N 2 2 289.448 3.440 20 0 CGADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000180668144 374033139 /nfs/dbraw/zinc/03/31/39/374033139.db2.gz XRCJDEXRCOJDCB-UKRRQHHQSA-N 2 2 289.448 3.440 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000181190513 374093420 /nfs/dbraw/zinc/09/34/20/374093420.db2.gz GCBJUSJEBJTROG-CYBMUJFWSA-N 2 2 293.480 3.158 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000450465078 374148115 /nfs/dbraw/zinc/14/81/15/374148115.db2.gz DBKRTGIUXYTPJW-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@H+]1C ZINC000450465078 374148119 /nfs/dbraw/zinc/14/81/19/374148119.db2.gz DBKRTGIUXYTPJW-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465078 374148126 /nfs/dbraw/zinc/14/81/26/374148126.db2.gz DBKRTGIUXYTPJW-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465078 374148131 /nfs/dbraw/zinc/14/81/31/374148131.db2.gz DBKRTGIUXYTPJW-WBVHZDCISA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H](C[NH+]1CCC[C@](C)(F)C1)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451116910 374192476 /nfs/dbraw/zinc/19/24/76/374192476.db2.gz SVKQEGOXMQOAOB-PHZGNYQRSA-N 2 2 288.426 3.271 20 0 CGADLP C[C@@H](C[NH+]1CCC[C@](C)(F)C1)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451116910 374192483 /nfs/dbraw/zinc/19/24/83/374192483.db2.gz SVKQEGOXMQOAOB-PHZGNYQRSA-N 2 2 288.426 3.271 20 0 CGADLP C[C@H](C[NH+]1CCC[C@@](C)(F)C1)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451116910 374192487 /nfs/dbraw/zinc/19/24/87/374192487.db2.gz SVKQEGOXMQOAOB-PHZGNYQRSA-N 2 2 288.426 3.271 20 0 CGADLP C[C@H](C[NH+]1CCC[C@@](C)(F)C1)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451116910 374192492 /nfs/dbraw/zinc/19/24/92/374192492.db2.gz SVKQEGOXMQOAOB-PHZGNYQRSA-N 2 2 288.426 3.271 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309742076 374194594 /nfs/dbraw/zinc/19/45/94/374194594.db2.gz SFHAXJOBARJAPT-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000309742076 374194598 /nfs/dbraw/zinc/19/45/98/374194598.db2.gz SFHAXJOBARJAPT-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP CC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309768514 374196553 /nfs/dbraw/zinc/19/65/53/374196553.db2.gz AKCNHLLFNBOJCZ-UMAGBFNSSA-N 2 2 258.409 3.038 20 0 CGADLP CC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309768514 374196558 /nfs/dbraw/zinc/19/65/58/374196558.db2.gz AKCNHLLFNBOJCZ-UMAGBFNSSA-N 2 2 258.409 3.038 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000309862496 374201817 /nfs/dbraw/zinc/20/18/17/374201817.db2.gz DPIKSXOCZSDKMX-MRXNPFEDSA-N 2 2 298.430 3.305 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000309862496 374201821 /nfs/dbraw/zinc/20/18/21/374201821.db2.gz DPIKSXOCZSDKMX-MRXNPFEDSA-N 2 2 298.430 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@@H+]1C1CC1 ZINC000310870248 374228151 /nfs/dbraw/zinc/22/81/51/374228151.db2.gz PQLLJRPKIKSNBL-OLZOCXBDSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C[N@H+]1C1CC1 ZINC000310870248 374228156 /nfs/dbraw/zinc/22/81/56/374228156.db2.gz PQLLJRPKIKSNBL-OLZOCXBDSA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126272 374242940 /nfs/dbraw/zinc/24/29/40/374242940.db2.gz ZUERDDXNTVCHDQ-LLVKDONJSA-N 2 2 284.341 3.083 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C)n2)n1-c1ccccc1 ZINC000317715920 374340286 /nfs/dbraw/zinc/34/02/86/374340286.db2.gz MMZIOSVDVZAMAC-UHFFFAOYSA-N 2 2 292.386 3.174 20 0 CGADLP Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000078891475 541918734 /nfs/dbraw/zinc/91/87/34/541918734.db2.gz QQWFSZZKKJQARJ-UHFFFAOYSA-N 2 2 295.386 3.165 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000453253549 374372787 /nfs/dbraw/zinc/37/27/87/374372787.db2.gz IQJLQLNMOQXOII-AHIWAGSCSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000453253549 374372794 /nfs/dbraw/zinc/37/27/94/374372794.db2.gz IQJLQLNMOQXOII-AHIWAGSCSA-N 2 2 276.399 3.267 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000319803034 374347508 /nfs/dbraw/zinc/34/75/08/374347508.db2.gz IJVRWYKTDRZXJW-KGLIPLIRSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319803034 374347511 /nfs/dbraw/zinc/34/75/11/374347511.db2.gz IJVRWYKTDRZXJW-KGLIPLIRSA-N 2 2 297.402 3.282 20 0 CGADLP Fc1cccc(C[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183167774 374379838 /nfs/dbraw/zinc/37/98/38/374379838.db2.gz VBICYIFKDOMAFK-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP Fc1cccc(C[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183167774 374379844 /nfs/dbraw/zinc/37/98/44/374379844.db2.gz VBICYIFKDOMAFK-KRWDZBQOSA-N 2 2 287.382 3.119 20 0 CGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000183177479 374382093 /nfs/dbraw/zinc/38/20/93/374382093.db2.gz UUJOFGCITHBHKJ-SOLBZPMBSA-N 2 2 299.418 3.124 20 0 CGADLP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000183177479 374382099 /nfs/dbraw/zinc/38/20/99/374382099.db2.gz UUJOFGCITHBHKJ-SOLBZPMBSA-N 2 2 299.418 3.124 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)[C@@H](C)C1 ZINC000453284490 374391226 /nfs/dbraw/zinc/39/12/26/374391226.db2.gz KSFUQKNEKZJMAU-XUXIUFHCSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)[C@@H](C)C1 ZINC000453284490 374391227 /nfs/dbraw/zinc/39/12/27/374391227.db2.gz KSFUQKNEKZJMAU-XUXIUFHCSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453378795 374465068 /nfs/dbraw/zinc/46/50/68/374465068.db2.gz AFERGWNPCUVSRC-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C2=CCCC2)[C@@H](C)C1 ZINC000453378795 374465079 /nfs/dbraw/zinc/46/50/79/374465079.db2.gz AFERGWNPCUVSRC-ZFWWWQNUSA-N 2 2 250.430 3.053 20 0 CGADLP Fc1cc(F)cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000334179129 206150684 /nfs/dbraw/zinc/15/06/84/206150684.db2.gz CVKBULHJAXMSAR-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)[nH]1 ZINC000334191665 206170675 /nfs/dbraw/zinc/17/06/75/206170675.db2.gz PHFZLBWACXCHLQ-OAHLLOKOSA-N 2 2 289.423 3.081 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000459316538 374802473 /nfs/dbraw/zinc/80/24/73/374802473.db2.gz AIJFQGXHBMCQKN-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000459316538 374802479 /nfs/dbraw/zinc/80/24/79/374802479.db2.gz AIJFQGXHBMCQKN-QGZVFWFLSA-N 2 2 283.419 3.232 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335018561 375073519 /nfs/dbraw/zinc/07/35/19/375073519.db2.gz UYZIYVQWEMOELR-OAHLLOKOSA-N 2 2 276.811 3.155 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474066440 375075932 /nfs/dbraw/zinc/07/59/32/375075932.db2.gz MVTDMFYAGZFJFF-CQSZACIVSA-N 2 2 286.410 3.442 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000474066440 375075940 /nfs/dbraw/zinc/07/59/40/375075940.db2.gz MVTDMFYAGZFJFF-CQSZACIVSA-N 2 2 286.410 3.442 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000480243951 375158376 /nfs/dbraw/zinc/15/83/76/375158376.db2.gz GCEUMIQKTGJSFF-MAUKXSAKSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@H](C[NH2+][C@@H](C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000480243951 375158385 /nfs/dbraw/zinc/15/83/85/375158385.db2.gz GCEUMIQKTGJSFF-MAUKXSAKSA-N 2 2 274.452 3.457 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000335147187 375173437 /nfs/dbraw/zinc/17/34/37/375173437.db2.gz JAQSPDNIBVSTKK-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000335147187 375173444 /nfs/dbraw/zinc/17/34/44/375173444.db2.gz JAQSPDNIBVSTKK-SNVBAGLBSA-N 2 2 281.812 3.125 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000474472338 375113895 /nfs/dbraw/zinc/11/38/95/375113895.db2.gz VYRCDMHAUDYHPN-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000484516492 375189712 /nfs/dbraw/zinc/18/97/12/375189712.db2.gz CRPJTWMENJSRCJ-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C2CC2)cc1 ZINC000484516492 375189723 /nfs/dbraw/zinc/18/97/23/375189723.db2.gz CRPJTWMENJSRCJ-XPGWFJOJSA-N 2 2 298.474 3.388 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000487274627 375216514 /nfs/dbraw/zinc/21/65/14/375216514.db2.gz GKLOWPZVOKWSRT-CJNGLKHVSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000188875911 375286956 /nfs/dbraw/zinc/28/69/56/375286956.db2.gz LPCYWVUMSOPJJJ-MRXNPFEDSA-N 2 2 297.402 3.069 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@@H+]1C ZINC000189066099 375317324 /nfs/dbraw/zinc/31/73/24/375317324.db2.gz ZFTKGDJQXCGVPR-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2F)CC[N@H+]1C ZINC000189066099 375317328 /nfs/dbraw/zinc/31/73/28/375317328.db2.gz ZFTKGDJQXCGVPR-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066099 375317331 /nfs/dbraw/zinc/31/73/31/375317331.db2.gz ZFTKGDJQXCGVPR-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2F)CC[NH+]1C ZINC000189066099 375317338 /nfs/dbraw/zinc/31/73/38/375317338.db2.gz ZFTKGDJQXCGVPR-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000491007379 375323281 /nfs/dbraw/zinc/32/32/81/375323281.db2.gz OAKWCHXMYGBPLN-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000491007379 375323287 /nfs/dbraw/zinc/32/32/87/375323287.db2.gz OAKWCHXMYGBPLN-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000491550288 375331342 /nfs/dbraw/zinc/33/13/42/375331342.db2.gz XKZRTADPYGEMPU-HZSPNIEDSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000491550288 375331349 /nfs/dbraw/zinc/33/13/49/375331349.db2.gz XKZRTADPYGEMPU-HZSPNIEDSA-N 2 2 286.410 3.417 20 0 CGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928166 541995432 /nfs/dbraw/zinc/99/54/32/541995432.db2.gz MHPDLPBMXYXIIS-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC000335697272 375354683 /nfs/dbraw/zinc/35/46/83/375354683.db2.gz ZAJSWFJBOJAOFS-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC000335697272 375354685 /nfs/dbraw/zinc/35/46/85/375354685.db2.gz ZAJSWFJBOJAOFS-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000335998042 375604573 /nfs/dbraw/zinc/60/45/73/375604573.db2.gz HCZMQJFNAYLFNO-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000335998042 375604580 /nfs/dbraw/zinc/60/45/80/375604580.db2.gz HCZMQJFNAYLFNO-NSHDSACASA-N 2 2 293.773 3.202 20 0 CGADLP Clc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336004163 375609711 /nfs/dbraw/zinc/60/97/11/375609711.db2.gz GPLYEICYFVUUSS-VIFPVBQESA-N 2 2 296.201 3.364 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000336055850 375650288 /nfs/dbraw/zinc/65/02/88/375650288.db2.gz REEKABHWZGACNH-ZYHUDNBSSA-N 2 2 293.461 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1[NH3+] ZINC000336055850 375650293 /nfs/dbraw/zinc/65/02/93/375650293.db2.gz REEKABHWZGACNH-ZYHUDNBSSA-N 2 2 293.461 3.041 20 0 CGADLP CCOC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192055004 375694072 /nfs/dbraw/zinc/69/40/72/375694072.db2.gz DKPFFMGITKCAQR-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP CCOC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192055004 375694079 /nfs/dbraw/zinc/69/40/79/375694079.db2.gz DKPFFMGITKCAQR-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP Cc1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000191979643 375685878 /nfs/dbraw/zinc/68/58/78/375685878.db2.gz WJFTYGYPGNVIKI-UHFFFAOYSA-N 2 2 282.322 3.327 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000192067932 375695129 /nfs/dbraw/zinc/69/51/29/375695129.db2.gz NBEAZOIDBOXDBE-IRXDYDNUSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1cc[nH+]cc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000336263411 375766017 /nfs/dbraw/zinc/76/60/17/375766017.db2.gz KFXHTCUFJMYNPF-QWHCGFSZSA-N 2 2 255.365 3.006 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000509122488 375772599 /nfs/dbraw/zinc/77/25/99/375772599.db2.gz DDAUVBXZRNTVNF-NVXWUHKLSA-N 2 2 280.431 3.481 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC[C@@H](C)F ZINC000509122488 375772603 /nfs/dbraw/zinc/77/26/03/375772603.db2.gz DDAUVBXZRNTVNF-NVXWUHKLSA-N 2 2 280.431 3.481 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000128741659 542053085 /nfs/dbraw/zinc/05/30/85/542053085.db2.gz KPGQCBDITHUGAJ-DZKIICNBSA-N 2 2 288.435 3.361 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000128741659 542053088 /nfs/dbraw/zinc/05/30/88/542053088.db2.gz KPGQCBDITHUGAJ-DZKIICNBSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@@H+]1C1CC1 ZINC000192942559 375807185 /nfs/dbraw/zinc/80/71/85/375807185.db2.gz HDPVWWCDRFKQFK-SUNYJGFJSA-N 2 2 285.435 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C[N@H+]1C1CC1 ZINC000192942559 375807192 /nfs/dbraw/zinc/80/71/92/375807192.db2.gz HDPVWWCDRFKQFK-SUNYJGFJSA-N 2 2 285.435 3.148 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510757480 375787427 /nfs/dbraw/zinc/78/74/27/375787427.db2.gz XYGCMVSJJYKMJT-FHWLQOOXSA-N 2 2 286.463 3.328 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000336547009 375823123 /nfs/dbraw/zinc/82/31/23/375823123.db2.gz YHBUGPPWPQOHEE-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000336547009 375823130 /nfs/dbraw/zinc/82/31/30/375823130.db2.gz YHBUGPPWPQOHEE-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP Clc1ccsc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000193141133 375832523 /nfs/dbraw/zinc/83/25/23/375832523.db2.gz WTDBVBWAWNGKEV-UHFFFAOYSA-N 2 2 281.812 3.388 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)CC1 ZINC000336611915 375874133 /nfs/dbraw/zinc/87/41/33/375874133.db2.gz QXLXZQQKRHKLSI-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)CC1 ZINC000336611915 375874137 /nfs/dbraw/zinc/87/41/37/375874137.db2.gz QXLXZQQKRHKLSI-UHFFFAOYSA-N 2 2 298.352 3.164 20 0 CGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000336710956 375914867 /nfs/dbraw/zinc/91/48/67/375914867.db2.gz LCFCCUBVVASUHF-KRWDZBQOSA-N 2 2 296.418 3.034 20 0 CGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000336710956 375914869 /nfs/dbraw/zinc/91/48/69/375914869.db2.gz LCFCCUBVVASUHF-KRWDZBQOSA-N 2 2 296.418 3.034 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194482122 376008754 /nfs/dbraw/zinc/00/87/54/376008754.db2.gz XNKJFVUZGYZVEN-RHSMWYFYSA-N 2 2 283.375 3.216 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534972433 376009445 /nfs/dbraw/zinc/00/94/45/376009445.db2.gz PHONNHDRSOUDTO-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534972433 376009451 /nfs/dbraw/zinc/00/94/51/376009451.db2.gz PHONNHDRSOUDTO-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CCc1ccc(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000535307011 376032460 /nfs/dbraw/zinc/03/24/60/376032460.db2.gz FEQBTYOCIPOAIT-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP CCc1ccc(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000535307011 376032462 /nfs/dbraw/zinc/03/24/62/376032462.db2.gz FEQBTYOCIPOAIT-KRWDZBQOSA-N 2 2 283.419 3.015 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C2CC2)ccc1F ZINC000536837680 376135799 /nfs/dbraw/zinc/13/57/99/376135799.db2.gz HISPFFFRLVVPRE-AFAVFJNCSA-N 2 2 276.399 3.125 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C2CC2)ccc1F ZINC000536837680 376135801 /nfs/dbraw/zinc/13/58/01/376135801.db2.gz HISPFFFRLVVPRE-AFAVFJNCSA-N 2 2 276.399 3.125 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281982 376188724 /nfs/dbraw/zinc/18/87/24/376188724.db2.gz WWTXLZHEAPAPSV-CYBMUJFWSA-N 2 2 282.378 3.444 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281982 376188725 /nfs/dbraw/zinc/18/87/25/376188725.db2.gz WWTXLZHEAPAPSV-CYBMUJFWSA-N 2 2 282.378 3.444 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000223030502 376244093 /nfs/dbraw/zinc/24/40/93/376244093.db2.gz HOQXQKRDJKILNK-OLZOCXBDSA-N 2 2 277.799 3.146 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000337991515 376250098 /nfs/dbraw/zinc/25/00/98/376250098.db2.gz IFZMRYQDLNYKGB-PVAVHDDUSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000337991515 376250105 /nfs/dbraw/zinc/25/01/05/376250105.db2.gz IFZMRYQDLNYKGB-PVAVHDDUSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338000504 376252239 /nfs/dbraw/zinc/25/22/39/376252239.db2.gz QDIJAAUEGHMJDQ-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1(C)C ZINC000539494237 376314792 /nfs/dbraw/zinc/31/47/92/376314792.db2.gz CDJSKRORKSVRLS-CWRNSKLLSA-N 2 2 282.472 3.043 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1(C)C ZINC000539494237 376314794 /nfs/dbraw/zinc/31/47/94/376314794.db2.gz CDJSKRORKSVRLS-CWRNSKLLSA-N 2 2 282.472 3.043 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000539703843 376327076 /nfs/dbraw/zinc/32/70/76/376327076.db2.gz RVSZXYONLAYJOO-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP CC[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000539703843 376327080 /nfs/dbraw/zinc/32/70/80/376327080.db2.gz RVSZXYONLAYJOO-HOTGVXAUSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@H](C[NH2+]Cc1ncc(Cl)s1)C[NH+]1CCCCC1 ZINC000225317176 376303021 /nfs/dbraw/zinc/30/30/21/376303021.db2.gz DEWAOTYNEYEXGR-LLVKDONJSA-N 2 2 287.860 3.008 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1Br ZINC000227667853 376403400 /nfs/dbraw/zinc/40/34/00/376403400.db2.gz ZGIOKCLGLHRWLN-GHMZBOCLSA-N 2 2 298.228 3.082 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000540597597 376384047 /nfs/dbraw/zinc/38/40/47/376384047.db2.gz UZSVTWUDRCKVNN-JKSUJKDBSA-N 2 2 293.455 3.237 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H]1OC ZINC000540592259 376384141 /nfs/dbraw/zinc/38/41/41/376384141.db2.gz XVIJTDVHVFXDJP-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@@H]1OC ZINC000540592259 376384144 /nfs/dbraw/zinc/38/41/44/376384144.db2.gz XVIJTDVHVFXDJP-OIISXLGYSA-N 2 2 294.483 3.187 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)C1CC1 ZINC000229552772 376465161 /nfs/dbraw/zinc/46/51/61/376465161.db2.gz YNGNJFVRMDMWJO-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)CCCC(F)(F)F)C1CC1 ZINC000229552772 376465168 /nfs/dbraw/zinc/46/51/68/376465168.db2.gz YNGNJFVRMDMWJO-LLVKDONJSA-N 2 2 266.351 3.181 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000542138229 376508136 /nfs/dbraw/zinc/50/81/36/376508136.db2.gz YZUFQRATELUAOA-GJZGRUSLSA-N 2 2 292.492 3.271 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000542138229 376508142 /nfs/dbraw/zinc/50/81/42/376508142.db2.gz YZUFQRATELUAOA-GJZGRUSLSA-N 2 2 292.492 3.271 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000542151935 376511640 /nfs/dbraw/zinc/51/16/40/376511640.db2.gz XWINZBCSDSXSKD-LBPRGKRZSA-N 2 2 275.421 3.282 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000338788759 376535095 /nfs/dbraw/zinc/53/50/95/376535095.db2.gz LWAPFLKBQIEAGU-LBTBCDHLSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccccc1)[N@@H+](C)C1CC1 ZINC000338788759 376535106 /nfs/dbraw/zinc/53/51/06/376535106.db2.gz LWAPFLKBQIEAGU-LBTBCDHLSA-N 2 2 272.436 3.251 20 0 CGADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(O)c1 ZINC000542466068 376545243 /nfs/dbraw/zinc/54/52/43/376545243.db2.gz FAMNMOIASSGXAL-UHFFFAOYSA-N 2 2 299.399 3.271 20 0 CGADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(O)c1 ZINC000542466068 376545251 /nfs/dbraw/zinc/54/52/51/376545251.db2.gz FAMNMOIASSGXAL-UHFFFAOYSA-N 2 2 299.399 3.271 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000235150065 376631910 /nfs/dbraw/zinc/63/19/10/376631910.db2.gz HTIKCQJZBDKETE-LBPRGKRZSA-N 2 2 263.772 3.023 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404054 376636922 /nfs/dbraw/zinc/63/69/22/376636922.db2.gz FKYNQEOSEFHEOW-JKIFEVAISA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404054 376636928 /nfs/dbraw/zinc/63/69/28/376636928.db2.gz FKYNQEOSEFHEOW-JKIFEVAISA-N 2 2 264.457 3.418 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]CCC(C)(C)C)Cc1ccccc1 ZINC000237005243 376725712 /nfs/dbraw/zinc/72/57/12/376725712.db2.gz DBQAPMPLACPTAS-INIZCTEOSA-N 2 2 262.441 3.185 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000339451195 376758767 /nfs/dbraw/zinc/75/87/67/376758767.db2.gz UEUTVQIDHABQPP-OWLYRPNTSA-N 2 2 272.436 3.110 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000339451195 376758771 /nfs/dbraw/zinc/75/87/71/376758771.db2.gz UEUTVQIDHABQPP-OWLYRPNTSA-N 2 2 272.436 3.110 20 0 CGADLP Cc1ncccc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281109 542101533 /nfs/dbraw/zinc/10/15/33/542101533.db2.gz KVDVBJCIRJYKPW-KXBFYZLASA-N 2 2 295.430 3.143 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695480 542137284 /nfs/dbraw/zinc/13/72/84/542137284.db2.gz OBAWWNHATRSNPG-WMZOPIPTSA-N 2 2 288.435 3.220 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000157695480 542137290 /nfs/dbraw/zinc/13/72/90/542137290.db2.gz OBAWWNHATRSNPG-WMZOPIPTSA-N 2 2 288.435 3.220 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2OC)CC1 ZINC000156801081 542130481 /nfs/dbraw/zinc/13/04/81/542130481.db2.gz RTESTXXOCTUERW-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000556867549 376891637 /nfs/dbraw/zinc/89/16/37/376891637.db2.gz FVGHVIIKHKVVRW-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000556867549 376891643 /nfs/dbraw/zinc/89/16/43/376891643.db2.gz FVGHVIIKHKVVRW-BZUAXINKSA-N 2 2 252.446 3.275 20 0 CGADLP c1c[nH+]c(C2CC[NH+]([C@H]3C=CCCCCC3)CC2)[nH]1 ZINC000340277577 376976777 /nfs/dbraw/zinc/97/67/77/376976777.db2.gz JFOUTCINZJRCGM-HNNXBMFYSA-N 2 2 259.397 3.478 20 0 CGADLP Fc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000245922869 376934728 /nfs/dbraw/zinc/93/47/28/376934728.db2.gz RBWOOWCMZAXITN-KBPBESRZSA-N 2 2 274.383 3.031 20 0 CGADLP Fc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245922869 376934733 /nfs/dbraw/zinc/93/47/33/376934733.db2.gz RBWOOWCMZAXITN-KBPBESRZSA-N 2 2 274.383 3.031 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340356176 377018755 /nfs/dbraw/zinc/01/87/55/377018755.db2.gz NZPGBBUIQDFKGU-CXAGYDPISA-N 2 2 281.403 3.426 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000558653253 377028928 /nfs/dbraw/zinc/02/89/28/377028928.db2.gz ZWIHEZQDSURMAF-OGVSOVDVSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccccc1OCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246297210 377006295 /nfs/dbraw/zinc/00/62/95/377006295.db2.gz PKOVAEROIDUEOJ-RDJZCZTQSA-N 2 2 299.418 3.153 20 0 CGADLP Cc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246297210 377006304 /nfs/dbraw/zinc/00/63/04/377006304.db2.gz PKOVAEROIDUEOJ-RDJZCZTQSA-N 2 2 299.418 3.153 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000340499685 377105446 /nfs/dbraw/zinc/10/54/46/377105446.db2.gz QQDRZZIJQOELAJ-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000340534268 377129951 /nfs/dbraw/zinc/12/99/51/377129951.db2.gz KAUVUNJVCSZUMK-HUUCEWRRSA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)no1 ZINC000340534268 377129956 /nfs/dbraw/zinc/12/99/56/377129956.db2.gz KAUVUNJVCSZUMK-HUUCEWRRSA-N 2 2 279.428 3.002 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000560246840 377133386 /nfs/dbraw/zinc/13/33/86/377133386.db2.gz VFVLFUOJRBWWCK-VSVYTNTFSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000560246840 377133397 /nfs/dbraw/zinc/13/33/97/377133397.db2.gz VFVLFUOJRBWWCK-VSVYTNTFSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2F)C1 ZINC000340540529 377136329 /nfs/dbraw/zinc/13/63/29/377136329.db2.gz GMRNCZKBTADXFM-GJZGRUSLSA-N 2 2 293.430 3.239 20 0 CGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2F)C1 ZINC000340540529 377136336 /nfs/dbraw/zinc/13/63/36/377136336.db2.gz GMRNCZKBTADXFM-GJZGRUSLSA-N 2 2 293.430 3.239 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247117885 377162757 /nfs/dbraw/zinc/16/27/57/377162757.db2.gz MGEGEIPHKXIWRS-CVEARBPZSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247117885 377162762 /nfs/dbraw/zinc/16/27/62/377162762.db2.gz MGEGEIPHKXIWRS-CVEARBPZSA-N 2 2 283.419 3.436 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247976567 377253359 /nfs/dbraw/zinc/25/33/59/377253359.db2.gz HWEXZKRTYQKIPX-SOLBZPMBSA-N 2 2 289.467 3.174 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247976567 377253368 /nfs/dbraw/zinc/25/33/68/377253368.db2.gz HWEXZKRTYQKIPX-SOLBZPMBSA-N 2 2 289.467 3.174 20 0 CGADLP CCc1nc(C[N@H+](C)CCCc2c[nH+]ccc2C)cs1 ZINC000561948432 377254163 /nfs/dbraw/zinc/25/41/63/377254163.db2.gz OCEBFZZJNJSPOS-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP CCc1nc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cs1 ZINC000561948432 377254166 /nfs/dbraw/zinc/25/41/66/377254166.db2.gz OCEBFZZJNJSPOS-UHFFFAOYSA-N 2 2 289.448 3.474 20 0 CGADLP CC(C)[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000561981089 377258767 /nfs/dbraw/zinc/25/87/67/377258767.db2.gz VMPSGBXCVVJCDB-GOSISDBHSA-N 2 2 272.436 3.206 20 0 CGADLP CC(C)[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000561981089 377258776 /nfs/dbraw/zinc/25/87/76/377258776.db2.gz VMPSGBXCVVJCDB-GOSISDBHSA-N 2 2 272.436 3.206 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000248532699 377338668 /nfs/dbraw/zinc/33/86/68/377338668.db2.gz RDTUNMNWOKMLKN-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000248532699 377338677 /nfs/dbraw/zinc/33/86/77/377338677.db2.gz RDTUNMNWOKMLKN-TZMCWYRMSA-N 2 2 298.377 3.423 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000562330971 377296146 /nfs/dbraw/zinc/29/61/46/377296146.db2.gz FSXMOFQHFJAZLP-KGLIPLIRSA-N 2 2 281.469 3.173 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248640961 377373520 /nfs/dbraw/zinc/37/35/20/377373520.db2.gz NZRBQIFKCQHLDT-JKIFEVAISA-N 2 2 260.425 3.456 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563352231 377446185 /nfs/dbraw/zinc/44/61/85/377446185.db2.gz BCGNNGQXPCLUGQ-QGZVFWFLSA-N 2 2 283.419 3.190 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1CCCc1c[nH+]cn1C ZINC000563352231 377446189 /nfs/dbraw/zinc/44/61/89/377446189.db2.gz BCGNNGQXPCLUGQ-QGZVFWFLSA-N 2 2 283.419 3.190 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563430140 377463969 /nfs/dbraw/zinc/46/39/69/377463969.db2.gz ADDDKVKZTFCMRX-WFASDCNBSA-N 2 2 293.480 3.278 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249275105 377484979 /nfs/dbraw/zinc/48/49/79/377484979.db2.gz LPYSAGLVLUJBNE-MGPQQGTHSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249275105 377484987 /nfs/dbraw/zinc/48/49/87/377484987.db2.gz LPYSAGLVLUJBNE-MGPQQGTHSA-N 2 2 292.389 3.429 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313248532 249089657 /nfs/dbraw/zinc/08/96/57/249089657.db2.gz BRQVCSPNJALQID-FVQBIDKESA-N 2 2 263.429 3.013 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313259052 249090357 /nfs/dbraw/zinc/09/03/57/249090357.db2.gz XYVMBNVCWKGLOK-AWEZNQCLSA-N 2 2 287.407 3.101 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000250586552 377563202 /nfs/dbraw/zinc/56/32/02/377563202.db2.gz NYXGWFLCYDDQBR-WMLDXEAASA-N 2 2 276.424 3.176 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000250586552 377563215 /nfs/dbraw/zinc/56/32/15/377563215.db2.gz NYXGWFLCYDDQBR-WMLDXEAASA-N 2 2 276.424 3.176 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3cccc4cccnc43)CC2)[nH]1 ZINC000265510078 190186868 /nfs/dbraw/zinc/18/68/68/190186868.db2.gz QXMUIFYUVHLJME-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000516998466 249253503 /nfs/dbraw/zinc/25/35/03/249253503.db2.gz UONHXFDRMOCHGA-AWEZNQCLSA-N 2 2 291.345 3.347 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000516998466 249253505 /nfs/dbraw/zinc/25/35/05/249253505.db2.gz UONHXFDRMOCHGA-AWEZNQCLSA-N 2 2 291.345 3.347 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000517534337 249266914 /nfs/dbraw/zinc/26/69/14/249266914.db2.gz NJSIWOSBEKIOSE-NXEZZACHSA-N 2 2 295.839 3.289 20 0 CGADLP C[C@@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)[NH3+] ZINC000517534340 249267388 /nfs/dbraw/zinc/26/73/88/249267388.db2.gz NJSIWOSBEKIOSE-VHSXEESVSA-N 2 2 295.839 3.289 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000252095173 377612268 /nfs/dbraw/zinc/61/22/68/377612268.db2.gz HRGVUXUPRYBOIX-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252095173 377612270 /nfs/dbraw/zinc/61/22/70/377612270.db2.gz HRGVUXUPRYBOIX-NXHRZFHOSA-N 2 2 272.436 3.429 20 0 CGADLP CC(C)C[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574168956 377631053 /nfs/dbraw/zinc/63/10/53/377631053.db2.gz ROVWLYMWVMSFCO-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574168956 377631058 /nfs/dbraw/zinc/63/10/58/377631058.db2.gz ROVWLYMWVMSFCO-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672973 377647437 /nfs/dbraw/zinc/64/74/37/377647437.db2.gz FTTCMUVPRALRSZ-RYUDHWBXSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672973 377647446 /nfs/dbraw/zinc/64/74/46/377647446.db2.gz FTTCMUVPRALRSZ-RYUDHWBXSA-N 2 2 282.790 3.196 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H](C)OC)c1ccccc1 ZINC000252714604 377654347 /nfs/dbraw/zinc/65/43/47/377654347.db2.gz SKJMWRJIUIDQDK-YQQAZPJKSA-N 2 2 278.440 3.083 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554935 377815222 /nfs/dbraw/zinc/81/52/22/377815222.db2.gz BCYZZVNWOQISDG-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261554935 377815227 /nfs/dbraw/zinc/81/52/27/377815227.db2.gz BCYZZVNWOQISDG-PWSUYJOCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000261558231 377815965 /nfs/dbraw/zinc/81/59/65/377815965.db2.gz DATIWZAISLHVKJ-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000261558231 377815972 /nfs/dbraw/zinc/81/59/72/377815972.db2.gz DATIWZAISLHVKJ-RYUDHWBXSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261582778 377821008 /nfs/dbraw/zinc/82/10/08/377821008.db2.gz RIBPAEVKQSEVBG-XUJVJEKNSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261582778 377821014 /nfs/dbraw/zinc/82/10/14/377821014.db2.gz RIBPAEVKQSEVBG-XUJVJEKNSA-N 2 2 264.800 3.085 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000261876229 377863129 /nfs/dbraw/zinc/86/31/29/377863129.db2.gz ZREJTBNMCPDASV-UHFFFAOYSA-N 2 2 286.341 3.409 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000261876229 377863136 /nfs/dbraw/zinc/86/31/36/377863136.db2.gz ZREJTBNMCPDASV-UHFFFAOYSA-N 2 2 286.341 3.409 20 0 CGADLP CC[C@@H]1CCCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342936988 377864508 /nfs/dbraw/zinc/86/45/08/377864508.db2.gz FOHCCUUWTJSGRO-CQSZACIVSA-N 2 2 257.381 3.489 20 0 CGADLP CC[C@@H]1CCCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342936988 377864514 /nfs/dbraw/zinc/86/45/14/377864514.db2.gz FOHCCUUWTJSGRO-CQSZACIVSA-N 2 2 257.381 3.489 20 0 CGADLP CCC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342941223 377868491 /nfs/dbraw/zinc/86/84/91/377868491.db2.gz IOMKRCPCJFOOJS-CQSZACIVSA-N 2 2 257.381 3.346 20 0 CGADLP CCC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342941223 377868497 /nfs/dbraw/zinc/86/84/97/377868497.db2.gz IOMKRCPCJFOOJS-CQSZACIVSA-N 2 2 257.381 3.346 20 0 CGADLP CC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342944175 377869154 /nfs/dbraw/zinc/86/91/54/377869154.db2.gz RXDPMSHDPPNKFA-AWEZNQCLSA-N 2 2 257.381 3.346 20 0 CGADLP CC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342944175 377869157 /nfs/dbraw/zinc/86/91/57/377869157.db2.gz RXDPMSHDPPNKFA-AWEZNQCLSA-N 2 2 257.381 3.346 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012377 377880302 /nfs/dbraw/zinc/88/03/02/377880302.db2.gz VEULWZHXHQKVQR-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)c(Cl)c1Cl ZINC000262012377 377880305 /nfs/dbraw/zinc/88/03/05/377880305.db2.gz VEULWZHXHQKVQR-IUCAKERBSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@@H]1[NH3+] ZINC000262022354 377880552 /nfs/dbraw/zinc/88/05/52/377880552.db2.gz NHXPXJCYCYHPPF-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@@H]1[NH3+] ZINC000262022354 377880555 /nfs/dbraw/zinc/88/05/55/377880555.db2.gz NHXPXJCYCYHPPF-ABAIWWIYSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262038071 377882287 /nfs/dbraw/zinc/88/22/87/377882287.db2.gz OUQDWEVFBDIXHJ-KDOFPFPSSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262038071 377882293 /nfs/dbraw/zinc/88/22/93/377882293.db2.gz OUQDWEVFBDIXHJ-KDOFPFPSSA-N 2 2 266.388 3.133 20 0 CGADLP Cc1cccc([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000262061450 377884675 /nfs/dbraw/zinc/88/46/75/377884675.db2.gz VXMZHWOEDFZEPY-AYOQOUSVSA-N 2 2 280.415 3.483 20 0 CGADLP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000262061450 377884681 /nfs/dbraw/zinc/88/46/81/377884681.db2.gz VXMZHWOEDFZEPY-AYOQOUSVSA-N 2 2 280.415 3.483 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(OC(F)F)cc1C ZINC000261709622 377843072 /nfs/dbraw/zinc/84/30/72/377843072.db2.gz IOOKEJPGLLNRPH-INIZCTEOSA-N 2 2 298.377 3.076 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(OC(F)F)cc1C ZINC000261709622 377843076 /nfs/dbraw/zinc/84/30/76/377843076.db2.gz IOOKEJPGLLNRPH-INIZCTEOSA-N 2 2 298.377 3.076 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261855778 377860960 /nfs/dbraw/zinc/86/09/60/377860960.db2.gz TZHQCQDZIAJAJB-CJNGLKHVSA-N 2 2 296.817 3.210 20 0 CGADLP F[C@@]1(c2cccc(Cl)c2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261855778 377860966 /nfs/dbraw/zinc/86/09/66/377860966.db2.gz TZHQCQDZIAJAJB-CJNGLKHVSA-N 2 2 296.817 3.210 20 0 CGADLP Cc1cc[nH+]c(NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000268293368 378052547 /nfs/dbraw/zinc/05/25/47/378052547.db2.gz FDZQLUFDHBHTAE-OAHLLOKOSA-N 2 2 255.365 3.105 20 0 CGADLP CCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)o1 ZINC000578313924 378057375 /nfs/dbraw/zinc/05/73/75/378057375.db2.gz BHQZZWFMUKAYSL-CVEARBPZSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000577958057 378026774 /nfs/dbraw/zinc/02/67/74/378026774.db2.gz RQYIONCEHSQMCJ-CQSZACIVSA-N 2 2 275.440 3.070 20 0 CGADLP Cn1c[nH+]cc1CCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000579001084 378120253 /nfs/dbraw/zinc/12/02/53/378120253.db2.gz OXGLONGGSURGEO-UHFFFAOYSA-N 2 2 263.429 3.111 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000268816759 378120896 /nfs/dbraw/zinc/12/08/96/378120896.db2.gz MKPIYCXTOREQKX-XHDPSFHLSA-N 2 2 279.334 3.291 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCCCc2ccccc2)n1C ZINC000579026462 378123882 /nfs/dbraw/zinc/12/38/82/378123882.db2.gz YLSBBQPNXLVGMA-UHFFFAOYSA-N 2 2 271.408 3.231 20 0 CGADLP CCC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000268831024 378126113 /nfs/dbraw/zinc/12/61/13/378126113.db2.gz QYELESVBQXPCGQ-PBHICJAKSA-N 2 2 287.407 3.411 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000579347997 378151020 /nfs/dbraw/zinc/15/10/20/378151020.db2.gz SCPBVXGPWINANO-SFHVURJKSA-N 2 2 295.430 3.493 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000268718891 378095966 /nfs/dbraw/zinc/09/59/66/378095966.db2.gz HMWGGSIQJIKJBN-FUHWJXTLSA-N 2 2 292.467 3.474 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000268770325 378106519 /nfs/dbraw/zinc/10/65/19/378106519.db2.gz PNTQRUBWLBEGDU-CQSZACIVSA-N 2 2 271.408 3.456 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000580093666 378223339 /nfs/dbraw/zinc/22/33/39/378223339.db2.gz GYFKBFPZYQEMAA-GJZGRUSLSA-N 2 2 288.439 3.105 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000580093666 378223345 /nfs/dbraw/zinc/22/33/45/378223345.db2.gz GYFKBFPZYQEMAA-GJZGRUSLSA-N 2 2 288.439 3.105 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000269006828 378172989 /nfs/dbraw/zinc/17/29/89/378172989.db2.gz LGPVODYGLMRBSI-GDLVEWKHSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000269006828 378172992 /nfs/dbraw/zinc/17/29/92/378172992.db2.gz LGPVODYGLMRBSI-GDLVEWKHSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2nccn21 ZINC000345366074 378268578 /nfs/dbraw/zinc/26/85/78/378268578.db2.gz YTFVNZKJCHQFJC-HOCLYGCPSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2nccn21 ZINC000345366074 378268583 /nfs/dbraw/zinc/26/85/83/378268583.db2.gz YTFVNZKJCHQFJC-HOCLYGCPSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785814 378258264 /nfs/dbraw/zinc/25/82/64/378258264.db2.gz PENTXQVBFDUVIB-QRIFCXAISA-N 2 2 270.420 3.210 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000580785814 378258270 /nfs/dbraw/zinc/25/82/70/378258270.db2.gz PENTXQVBFDUVIB-QRIFCXAISA-N 2 2 270.420 3.210 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000582359667 378306826 /nfs/dbraw/zinc/30/68/26/378306826.db2.gz BQUPEGIEBPWGPQ-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000582359667 378306834 /nfs/dbraw/zinc/30/68/34/378306834.db2.gz BQUPEGIEBPWGPQ-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583974151 378362888 /nfs/dbraw/zinc/36/28/88/378362888.db2.gz PVFZHJSMEYYUNZ-DGCLKSJQSA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000583974151 378362895 /nfs/dbraw/zinc/36/28/95/378362895.db2.gz PVFZHJSMEYYUNZ-DGCLKSJQSA-N 2 2 278.362 3.324 20 0 CGADLP Fc1cc(F)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000270265047 378327836 /nfs/dbraw/zinc/32/78/36/378327836.db2.gz UVRRXMYCUQCRCC-UHFFFAOYSA-N 2 2 280.362 3.071 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000583525728 378327770 /nfs/dbraw/zinc/32/77/70/378327770.db2.gz ZWVPHDRIVSWQKU-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000583525728 378327777 /nfs/dbraw/zinc/32/77/77/378327777.db2.gz ZWVPHDRIVSWQKU-KFWWJZLASA-N 2 2 252.446 3.418 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346063379 378453539 /nfs/dbraw/zinc/45/35/39/378453539.db2.gz GJDGBHQKMLWJCV-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346063379 378453543 /nfs/dbraw/zinc/45/35/43/378453543.db2.gz GJDGBHQKMLWJCV-GOSISDBHSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1cc(F)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271134459 378459584 /nfs/dbraw/zinc/45/95/84/378459584.db2.gz BPGNHXZBSMBVAG-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCc4ccccc4C3)c2)c[nH+]1 ZINC000346130628 378473709 /nfs/dbraw/zinc/47/37/09/378473709.db2.gz JDTOPFILCUQGEQ-UHFFFAOYSA-N 2 2 295.411 3.492 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCc4ccccc4C3)c2)c[nH+]1 ZINC000346130628 378473718 /nfs/dbraw/zinc/47/37/18/378473718.db2.gz JDTOPFILCUQGEQ-UHFFFAOYSA-N 2 2 295.411 3.492 20 0 CGADLP CC(C)[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139485 378478138 /nfs/dbraw/zinc/47/81/38/378478138.db2.gz VTROGAJYNULAKT-GFCCVEGCSA-N 2 2 263.410 3.410 20 0 CGADLP CC(C)[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139485 378478141 /nfs/dbraw/zinc/47/81/41/378478141.db2.gz VTROGAJYNULAKT-GFCCVEGCSA-N 2 2 263.410 3.410 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000271202412 378481962 /nfs/dbraw/zinc/48/19/62/378481962.db2.gz RDIBFPKJOAPXOJ-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@@H+]1C ZINC000346329469 378547029 /nfs/dbraw/zinc/54/70/29/378547029.db2.gz MZDRSDIFJXKXKS-VBRUCIBASA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3ccccc3F)C2)CCC[N@H+]1C ZINC000346329469 378547033 /nfs/dbraw/zinc/54/70/33/378547033.db2.gz MZDRSDIFJXKXKS-VBRUCIBASA-N 2 2 276.399 3.144 20 0 CGADLP C[N@H+](CC[C@@H]1CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000346574928 378629869 /nfs/dbraw/zinc/62/98/69/378629869.db2.gz QCSJUPPYLIQDEY-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC000346574928 378629875 /nfs/dbraw/zinc/62/98/75/378629875.db2.gz QCSJUPPYLIQDEY-INIZCTEOSA-N 2 2 282.472 3.142 20 0 CGADLP COC(C)(C)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346482762 378592940 /nfs/dbraw/zinc/59/29/40/378592940.db2.gz DBXXYRUXONVOIW-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccns3)C2)CC1 ZINC000637976240 378655131 /nfs/dbraw/zinc/65/51/31/378655131.db2.gz AWTUNMCSNUZQTC-OAHLLOKOSA-N 2 2 293.480 3.087 20 0 CGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccns3)C2)CC1 ZINC000637976240 378655139 /nfs/dbraw/zinc/65/51/39/378655139.db2.gz AWTUNMCSNUZQTC-OAHLLOKOSA-N 2 2 293.480 3.087 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978356 378656110 /nfs/dbraw/zinc/65/61/10/378656110.db2.gz NYWPGNGCVCFELS-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccns2)C1 ZINC000637978356 378656118 /nfs/dbraw/zinc/65/61/18/378656118.db2.gz NYWPGNGCVCFELS-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000637978356 378656126 /nfs/dbraw/zinc/65/61/26/378656126.db2.gz NYWPGNGCVCFELS-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000637978356 378656133 /nfs/dbraw/zinc/65/61/33/378656133.db2.gz NYWPGNGCVCFELS-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000638017293 378669473 /nfs/dbraw/zinc/66/94/73/378669473.db2.gz FOERZEHROQIYJN-HNNXBMFYSA-N 2 2 285.391 3.037 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000638017293 378669476 /nfs/dbraw/zinc/66/94/76/378669476.db2.gz FOERZEHROQIYJN-HNNXBMFYSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000347951613 378737492 /nfs/dbraw/zinc/73/74/92/378737492.db2.gz XJSGMDOYYFDKGM-FFKNIBCLSA-N 2 2 291.345 3.086 20 0 CGADLP Clc1cc(Cl)c2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000346995527 378704205 /nfs/dbraw/zinc/70/42/05/378704205.db2.gz VZYAPQHHNNUQOA-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP Clc1cc(Cl)c2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000346995527 378704209 /nfs/dbraw/zinc/70/42/09/378704209.db2.gz VZYAPQHHNNUQOA-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638297319 378760205 /nfs/dbraw/zinc/76/02/05/378760205.db2.gz AVHCVMQEGZYHIR-YPMHNXCESA-N 2 2 293.361 3.368 20 0 CGADLP CCC[C@@H](C[NH2+]CCCn1c(C)[nH+]c2ccccc21)OC ZINC000638299604 378761280 /nfs/dbraw/zinc/76/12/80/378761280.db2.gz ZQLOZUWXJGSULH-HNNXBMFYSA-N 2 2 289.423 3.140 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000348119980 378800217 /nfs/dbraw/zinc/80/02/17/378800217.db2.gz GYPBNXRGIUMNDV-OIISXLGYSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348119980 378800223 /nfs/dbraw/zinc/80/02/23/378800223.db2.gz GYPBNXRGIUMNDV-OIISXLGYSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC)cc1 ZINC000346784077 218012306 /nfs/dbraw/zinc/01/23/06/218012306.db2.gz WJXCCCBUBFMMPN-JEBQAFNWSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC)cc1 ZINC000346784077 218012308 /nfs/dbraw/zinc/01/23/08/218012308.db2.gz WJXCCCBUBFMMPN-JEBQAFNWSA-N 2 2 288.435 3.219 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638418994 378796695 /nfs/dbraw/zinc/79/66/95/378796695.db2.gz HOGYWFIMWUDPRE-AAEUAGOBSA-N 2 2 277.318 3.006 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCSc3ccccc32)CCC[N@@H+]1C ZINC000346799753 218017393 /nfs/dbraw/zinc/01/73/93/218017393.db2.gz OGZJDZRGTWACBE-YUELXQCFSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCSc3ccccc32)CCC[N@H+]1C ZINC000346799753 218017395 /nfs/dbraw/zinc/01/73/95/218017395.db2.gz OGZJDZRGTWACBE-YUELXQCFSA-N 2 2 276.449 3.296 20 0 CGADLP CO[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)CC(C)C ZINC000638442134 378804679 /nfs/dbraw/zinc/80/46/79/378804679.db2.gz OYLIBHHHPNLXLN-CQSZACIVSA-N 2 2 289.423 3.146 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000348183425 378827535 /nfs/dbraw/zinc/82/75/35/378827535.db2.gz BZMVTSCXZGJTSQ-PBHICJAKSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348236855 378855642 /nfs/dbraw/zinc/85/56/42/378855642.db2.gz CALSZDZMGNDAHE-NJAFHUGGSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348236855 378855650 /nfs/dbraw/zinc/85/56/50/378855650.db2.gz CALSZDZMGNDAHE-NJAFHUGGSA-N 2 2 272.436 3.112 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348241024 378858871 /nfs/dbraw/zinc/85/88/71/378858871.db2.gz IZFJZRFXQGWMAQ-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348241024 378858876 /nfs/dbraw/zinc/85/88/76/378858876.db2.gz IZFJZRFXQGWMAQ-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348261125 378869828 /nfs/dbraw/zinc/86/98/28/378869828.db2.gz KMJXOKKEQFWUBR-HLLBOEOZSA-N 2 2 299.418 3.236 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccon1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348261125 378869832 /nfs/dbraw/zinc/86/98/32/378869832.db2.gz KMJXOKKEQFWUBR-HLLBOEOZSA-N 2 2 299.418 3.236 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638792487 378913521 /nfs/dbraw/zinc/91/35/21/378913521.db2.gz DGQHITYKQFMPFD-QGZVFWFLSA-N 2 2 295.430 3.049 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000346992069 218083008 /nfs/dbraw/zinc/08/30/08/218083008.db2.gz AHOPBIBHTGKPSH-TZMCWYRMSA-N 2 2 281.469 3.043 20 0 CGADLP CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000346992069 218083010 /nfs/dbraw/zinc/08/30/10/218083010.db2.gz AHOPBIBHTGKPSH-TZMCWYRMSA-N 2 2 281.469 3.043 20 0 CGADLP Cc1cc(NCCCc2[nH+]c3ccccc3n2C)cc[nH+]1 ZINC000274915424 378917423 /nfs/dbraw/zinc/91/74/23/378917423.db2.gz OBSFGJAROBVDOD-UHFFFAOYSA-N 2 2 280.375 3.321 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000639041942 378978571 /nfs/dbraw/zinc/97/85/71/378978571.db2.gz QFZJVCFESLZOSX-MAUKXSAKSA-N 2 2 297.402 3.132 20 0 CGADLP c1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)on1 ZINC000639041942 378978579 /nfs/dbraw/zinc/97/85/79/378978579.db2.gz QFZJVCFESLZOSX-MAUKXSAKSA-N 2 2 297.402 3.132 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000347088572 218117703 /nfs/dbraw/zinc/11/77/03/218117703.db2.gz CZBLGIHEKGPATO-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000347088572 218117706 /nfs/dbraw/zinc/11/77/06/218117706.db2.gz CZBLGIHEKGPATO-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP CCc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347092808 218120070 /nfs/dbraw/zinc/12/00/70/218120070.db2.gz PTPROKIPOPCMGK-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347092808 218120071 /nfs/dbraw/zinc/12/00/71/218120071.db2.gz PTPROKIPOPCMGK-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118766 218128395 /nfs/dbraw/zinc/12/83/95/218128395.db2.gz IIXYVAOLEJOLQD-CXAGYDPISA-N 2 2 286.350 3.435 20 0 CGADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347118766 218128397 /nfs/dbraw/zinc/12/83/97/218128397.db2.gz IIXYVAOLEJOLQD-CXAGYDPISA-N 2 2 286.350 3.435 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000370167760 378990022 /nfs/dbraw/zinc/99/00/22/378990022.db2.gz URFUIDWDKMDKLM-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000370167760 378990028 /nfs/dbraw/zinc/99/00/28/378990028.db2.gz URFUIDWDKMDKLM-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000639089776 379011639 /nfs/dbraw/zinc/01/16/39/379011639.db2.gz FFAWGIRNBSTNKS-OLMNPRSZSA-N 2 2 290.451 3.001 20 0 CGADLP COC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCCC1 ZINC000276956002 379029211 /nfs/dbraw/zinc/02/92/11/379029211.db2.gz LBDQWXQEFPUEGX-UHFFFAOYSA-N 2 2 299.418 3.230 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccsc1 ZINC000276969661 379033660 /nfs/dbraw/zinc/03/36/60/379033660.db2.gz TZGPLHHOENZRLG-TZMCWYRMSA-N 2 2 263.410 3.464 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639132417 379058969 /nfs/dbraw/zinc/05/89/69/379058969.db2.gz BALGDPZZDRJMGU-QEJZJMRPSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CC1(F)F ZINC000639132417 379058976 /nfs/dbraw/zinc/05/89/76/379058976.db2.gz BALGDPZZDRJMGU-QEJZJMRPSA-N 2 2 286.410 3.417 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CCc4ccccc43)[nH+]c2)c[nH+]1 ZINC000348836410 379076874 /nfs/dbraw/zinc/07/68/74/379076874.db2.gz VYXOSUVXIRPLJB-QGZVFWFLSA-N 2 2 290.370 3.426 20 0 CGADLP CC[C@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851233 379085708 /nfs/dbraw/zinc/08/57/08/379085708.db2.gz YLHWYEQYTRIFSM-QWHCGFSZSA-N 2 2 258.369 3.173 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000639192051 379114257 /nfs/dbraw/zinc/11/42/57/379114257.db2.gz OSKSCENEWZHHQT-RRFJBIMHSA-N 2 2 273.424 3.382 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000639192051 379114261 /nfs/dbraw/zinc/11/42/61/379114261.db2.gz OSKSCENEWZHHQT-RRFJBIMHSA-N 2 2 273.424 3.382 20 0 CGADLP C[C@@H]1C[C@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@@H+]1C ZINC000639211152 379146478 /nfs/dbraw/zinc/14/64/78/379146478.db2.gz RNLFDMXQXWOKRV-IUODEOHRSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@@H]1C[C@H](Nc2ccc(C3CCC3)c[nH+]2)CC[N@H+]1C ZINC000639211152 379146480 /nfs/dbraw/zinc/14/64/80/379146480.db2.gz RNLFDMXQXWOKRV-IUODEOHRSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349143466 379169421 /nfs/dbraw/zinc/16/94/21/379169421.db2.gz BHNUNFRPSYIFIC-ILXRZTDVSA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349143466 379169429 /nfs/dbraw/zinc/16/94/29/379169429.db2.gz BHNUNFRPSYIFIC-ILXRZTDVSA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H](CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150766 379170906 /nfs/dbraw/zinc/17/09/06/379170906.db2.gz NGMXAKBDYJHXJJ-DOTOQJQBSA-N 2 2 283.419 3.403 20 0 CGADLP C[C@@H](CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349150766 379170917 /nfs/dbraw/zinc/17/09/17/379170917.db2.gz NGMXAKBDYJHXJJ-DOTOQJQBSA-N 2 2 283.419 3.403 20 0 CGADLP CC1CCC(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000349152620 379172316 /nfs/dbraw/zinc/17/23/16/379172316.db2.gz QESHMMFAYDGJLK-YMAMQOFZSA-N 2 2 261.413 3.036 20 0 CGADLP CC1CCC(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000349152620 379172322 /nfs/dbraw/zinc/17/23/22/379172322.db2.gz QESHMMFAYDGJLK-YMAMQOFZSA-N 2 2 261.413 3.036 20 0 CGADLP CCCc1csc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000494077241 535454571 /nfs/dbraw/zinc/45/45/71/535454571.db2.gz GKEKGCHVBOZYPI-TZMCWYRMSA-N 2 2 281.469 3.058 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccn1CCC(C)C ZINC000349343024 379238331 /nfs/dbraw/zinc/23/83/31/379238331.db2.gz GDHKPNCIPCBVEO-UHFFFAOYSA-N 2 2 279.472 3.308 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccn1CCC(C)C ZINC000349343024 379238342 /nfs/dbraw/zinc/23/83/42/379238342.db2.gz GDHKPNCIPCBVEO-UHFFFAOYSA-N 2 2 279.472 3.308 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000373114765 379223647 /nfs/dbraw/zinc/22/36/47/379223647.db2.gz DAPBHWQDHIBHBS-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000373114765 379223655 /nfs/dbraw/zinc/22/36/55/379223655.db2.gz DAPBHWQDHIBHBS-ZDUSSCGKSA-N 2 2 291.345 3.078 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000373116357 379227770 /nfs/dbraw/zinc/22/77/70/379227770.db2.gz VAWYRBIFUXRPHR-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000373116357 379227776 /nfs/dbraw/zinc/22/77/76/379227776.db2.gz VAWYRBIFUXRPHR-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCC2)s1 ZINC000349384485 379261286 /nfs/dbraw/zinc/26/12/86/379261286.db2.gz PEQJQJJTAWYWGQ-UHFFFAOYSA-N 2 2 290.436 3.129 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCC2)s1 ZINC000349384485 379261298 /nfs/dbraw/zinc/26/12/98/379261298.db2.gz PEQJQJJTAWYWGQ-UHFFFAOYSA-N 2 2 290.436 3.129 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c(C)noc2C)CC1 ZINC000639376491 379335377 /nfs/dbraw/zinc/33/53/77/379335377.db2.gz MISRAXBKZFUTJN-UHFFFAOYSA-N 2 2 291.439 3.132 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000639378544 379336689 /nfs/dbraw/zinc/33/66/89/379336689.db2.gz HZLBABOKUVREJK-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000347589960 218283224 /nfs/dbraw/zinc/28/32/24/218283224.db2.gz ADMJFZMCFQQXOI-UHFFFAOYSA-N 2 2 282.387 3.087 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000347589960 218283226 /nfs/dbraw/zinc/28/32/26/218283226.db2.gz ADMJFZMCFQQXOI-UHFFFAOYSA-N 2 2 282.387 3.087 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)o1 ZINC000278328352 379350264 /nfs/dbraw/zinc/35/02/64/379350264.db2.gz VYXKMZFSSWXSGY-ZDUSSCGKSA-N 2 2 283.375 3.437 20 0 CGADLP CC1(F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000639389211 379353094 /nfs/dbraw/zinc/35/30/94/379353094.db2.gz UJJOLCVXFPTCBA-UHFFFAOYSA-N 2 2 273.355 3.196 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000639600149 379499454 /nfs/dbraw/zinc/49/94/54/379499454.db2.gz QLDBDRGHLOQRGY-PBHICJAKSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H](CC1CCOCC1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000349972928 379466229 /nfs/dbraw/zinc/46/62/29/379466229.db2.gz USCNENUHCVHLAY-CQSZACIVSA-N 2 2 291.439 3.042 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2C2CCCC2)s1 ZINC000347645400 218305272 /nfs/dbraw/zinc/30/52/72/218305272.db2.gz BDXGOAVSWXGIMV-OAHLLOKOSA-N 2 2 293.480 3.359 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2C2CCCC2)s1 ZINC000347645400 218305275 /nfs/dbraw/zinc/30/52/75/218305275.db2.gz BDXGOAVSWXGIMV-OAHLLOKOSA-N 2 2 293.480 3.359 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC3(CCOCC3)CC2)c(C)[nH+]1 ZINC000639633004 379517408 /nfs/dbraw/zinc/51/74/08/379517408.db2.gz MLOBCXQTKGLKFQ-UHFFFAOYSA-N 2 2 288.435 3.399 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccc(Cl)cc1 ZINC000279918981 379553707 /nfs/dbraw/zinc/55/37/07/379553707.db2.gz MLMYGCIFZPMALE-CHWSQXEVSA-N 2 2 277.799 3.318 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000640014927 379685836 /nfs/dbraw/zinc/68/58/36/379685836.db2.gz APXLWTGWJZUQHG-UHFFFAOYSA-N 2 2 289.467 3.313 20 0 CGADLP CC[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)[NH+]1CCCC1 ZINC000280413322 379699827 /nfs/dbraw/zinc/69/98/27/379699827.db2.gz YTNMOCNELXFIGE-ROUUACIJSA-N 2 2 287.451 3.387 20 0 CGADLP CC(C)[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267346412 190322639 /nfs/dbraw/zinc/32/26/39/190322639.db2.gz FSAQRFJQGRPZJJ-UHFFFAOYSA-N 2 2 287.329 3.385 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839388 379748251 /nfs/dbraw/zinc/74/82/51/379748251.db2.gz IRBYOALNVUWEHZ-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839388 379748255 /nfs/dbraw/zinc/74/82/55/379748255.db2.gz IRBYOALNVUWEHZ-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839388 379748261 /nfs/dbraw/zinc/74/82/61/379748261.db2.gz IRBYOALNVUWEHZ-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839388 379748265 /nfs/dbraw/zinc/74/82/65/379748265.db2.gz IRBYOALNVUWEHZ-WFASDCNBSA-N 2 2 298.352 3.020 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000352339123 379770091 /nfs/dbraw/zinc/77/00/91/379770091.db2.gz ZTGLJQMBLZGLFZ-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000352339123 379770097 /nfs/dbraw/zinc/77/00/97/379770097.db2.gz ZTGLJQMBLZGLFZ-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425545 190329185 /nfs/dbraw/zinc/32/91/85/190329185.db2.gz LKHKBIANVRXIMC-GOEBONIOSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425545 190329186 /nfs/dbraw/zinc/32/91/86/190329186.db2.gz LKHKBIANVRXIMC-GOEBONIOSA-N 2 2 269.392 3.393 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452060 379820222 /nfs/dbraw/zinc/82/02/22/379820222.db2.gz AQEHNYJMSDPYDW-DOMZBBRYSA-N 2 2 274.433 3.331 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC000352452060 379820228 /nfs/dbraw/zinc/82/02/28/379820228.db2.gz AQEHNYJMSDPYDW-DOMZBBRYSA-N 2 2 274.433 3.331 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000398073647 379926568 /nfs/dbraw/zinc/92/65/68/379926568.db2.gz FAUKNFNHTRCGHI-QFACEVIFSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000398073647 379926574 /nfs/dbraw/zinc/92/65/74/379926574.db2.gz FAUKNFNHTRCGHI-QFACEVIFSA-N 2 2 284.447 3.428 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295871 379896974 /nfs/dbraw/zinc/89/69/74/379896974.db2.gz YPFVGMNPCWPHFP-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295871 379896980 /nfs/dbraw/zinc/89/69/80/379896980.db2.gz YPFVGMNPCWPHFP-PWSUYJOCSA-N 2 2 270.779 3.224 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389789067 379903325 /nfs/dbraw/zinc/90/33/25/379903325.db2.gz OERUOTLOLBUMNJ-VYDXJSESSA-N 2 2 260.425 3.141 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389789067 379903332 /nfs/dbraw/zinc/90/33/32/379903332.db2.gz OERUOTLOLBUMNJ-VYDXJSESSA-N 2 2 260.425 3.141 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000352802131 379970189 /nfs/dbraw/zinc/97/01/89/379970189.db2.gz LPDZQBDOZXLFEZ-CZUORRHYSA-N 2 2 287.432 3.022 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000400324929 379947825 /nfs/dbraw/zinc/94/78/25/379947825.db2.gz CZCFBQGNHGSBAL-MISXGVKJSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)o1 ZINC000352779086 379954927 /nfs/dbraw/zinc/95/49/27/379954927.db2.gz JOVPITWWFDDOHA-LLVKDONJSA-N 2 2 293.436 3.265 20 0 CGADLP Fc1c[nH+]ccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000641291135 379986537 /nfs/dbraw/zinc/98/65/37/379986537.db2.gz WAGVONQWBQROQT-UHFFFAOYSA-N 2 2 291.414 3.313 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000641707783 380052878 /nfs/dbraw/zinc/05/28/78/380052878.db2.gz QCVQKDOAAHLLLM-GJZGRUSLSA-N 2 2 275.440 3.320 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283207972 380044825 /nfs/dbraw/zinc/04/48/25/380044825.db2.gz LWWFNNFCJSHROF-XIRDDKMYSA-N 2 2 269.392 3.055 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000641802280 380110790 /nfs/dbraw/zinc/11/07/90/380110790.db2.gz ISTJEASWLVFZNI-CHWSQXEVSA-N 2 2 279.453 3.016 20 0 CGADLP CC1(C)[C@H]([NH2+]Cc2csc(C3CCCC3)n2)C[C@@H]1[NH3+] ZINC000641802282 380113128 /nfs/dbraw/zinc/11/31/28/380113128.db2.gz ISTJEASWLVFZNI-QWHCGFSZSA-N 2 2 279.453 3.016 20 0 CGADLP CC1CCC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000353137660 380132691 /nfs/dbraw/zinc/13/26/91/380132691.db2.gz MIXNSJTZZJJNDK-UHFFFAOYSA-N 2 2 270.380 3.317 20 0 CGADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2[nH+]1 ZINC000643030341 380205213 /nfs/dbraw/zinc/20/52/13/380205213.db2.gz NXQUEIZUAZIQDR-RYUDHWBXSA-N 2 2 273.355 3.364 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000643030455 380205833 /nfs/dbraw/zinc/20/58/33/380205833.db2.gz UUFTTYSHJQIUTH-CHWSQXEVSA-N 2 2 259.328 3.056 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000353946328 380249221 /nfs/dbraw/zinc/24/92/21/380249221.db2.gz UNAIEVFCVNBPPY-KKUMJFAQSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000353946328 380249228 /nfs/dbraw/zinc/24/92/28/380249228.db2.gz UNAIEVFCVNBPPY-KKUMJFAQSA-N 2 2 284.513 3.371 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643069563 380210522 /nfs/dbraw/zinc/21/05/22/380210522.db2.gz VLPLBGRLJWDTTR-NVXWUHKLSA-N 2 2 290.476 3.079 20 0 CGADLP Cc1ccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643069563 380210528 /nfs/dbraw/zinc/21/05/28/380210528.db2.gz VLPLBGRLJWDTTR-NVXWUHKLSA-N 2 2 290.476 3.079 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000353915589 380232555 /nfs/dbraw/zinc/23/25/55/380232555.db2.gz MQKRZVHTMBXUCN-UHFFFAOYSA-N 2 2 266.404 3.208 20 0 CGADLP CCc1cccc(F)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000353915589 380232558 /nfs/dbraw/zinc/23/25/58/380232558.db2.gz MQKRZVHTMBXUCN-UHFFFAOYSA-N 2 2 266.404 3.208 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]Cc2cnccc2C)[NH+](C)C)cc1 ZINC000353924420 380237651 /nfs/dbraw/zinc/23/76/51/380237651.db2.gz CEQJOUZIOGQBQO-LJQANCHMSA-N 2 2 297.446 3.345 20 0 CGADLP Cc1cccn2c(C[NH2+]CC(C)(C)c3cccnc3)c[nH+]c12 ZINC000414561260 380321654 /nfs/dbraw/zinc/32/16/54/380321654.db2.gz SERSFEBZEYPOOR-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643506381 380328675 /nfs/dbraw/zinc/32/86/75/380328675.db2.gz UODPELCCFAYSTG-AWEZNQCLSA-N 2 2 252.789 3.133 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507335 380330283 /nfs/dbraw/zinc/33/02/83/380330283.db2.gz ZRFUOZKXRZUKAZ-LBPRGKRZSA-N 2 2 264.438 3.201 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643508847 380332668 /nfs/dbraw/zinc/33/26/68/380332668.db2.gz IDCDSPFAEJSMST-SJORKVTESA-N 2 2 288.341 3.242 20 0 CGADLP F[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414513331 380289116 /nfs/dbraw/zinc/28/91/16/380289116.db2.gz PDJYWLUOMQASQP-HZPDHXFCSA-N 2 2 273.355 3.243 20 0 CGADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1cccc2ccccc21 ZINC000643517213 380335486 /nfs/dbraw/zinc/33/54/86/380335486.db2.gz LFPMVOZUYPQEBE-SFHVURJKSA-N 2 2 286.419 3.117 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694110 380376676 /nfs/dbraw/zinc/37/66/76/380376676.db2.gz NPJWGBUTEXIAQS-HNNXBMFYSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccccc1[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694110 380376682 /nfs/dbraw/zinc/37/66/82/380376682.db2.gz NPJWGBUTEXIAQS-HNNXBMFYSA-N 2 2 260.425 3.172 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718240 380387967 /nfs/dbraw/zinc/38/79/67/380387967.db2.gz YZJUGXHLMUMYBS-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718240 380387972 /nfs/dbraw/zinc/38/79/72/380387972.db2.gz YZJUGXHLMUMYBS-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414657582 380357155 /nfs/dbraw/zinc/35/71/55/380357155.db2.gz HTCILQNLCROHDK-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414657582 380357161 /nfs/dbraw/zinc/35/71/61/380357161.db2.gz HTCILQNLCROHDK-BZSNNMDCSA-N 2 2 272.436 3.181 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cnn(C2CCCC2)c1 ZINC000643543488 380357679 /nfs/dbraw/zinc/35/76/79/380357679.db2.gz NSHZGLMROYSZOU-DYVFJYSZSA-N 2 2 290.455 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(F)ccc1F ZINC000643545887 380358183 /nfs/dbraw/zinc/35/81/83/380358183.db2.gz DWSOIDHGZQTOKH-YPMHNXCESA-N 2 2 280.362 3.290 20 0 CGADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354195060 380360650 /nfs/dbraw/zinc/36/06/50/380360650.db2.gz YPJCDHRDTKSGRE-GOSISDBHSA-N 2 2 284.403 3.300 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000354195089 380360687 /nfs/dbraw/zinc/36/06/87/380360687.db2.gz YRMVVSLHGUTKBR-IRXDYDNUSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(F)c1F ZINC000643547236 380361598 /nfs/dbraw/zinc/36/15/98/380361598.db2.gz BSDXTJPFAVMLME-RYUDHWBXSA-N 2 2 280.362 3.290 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820750 380432494 /nfs/dbraw/zinc/43/24/94/380432494.db2.gz AZNFJLVZZLOWNE-SFHVURJKSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414821504 380432798 /nfs/dbraw/zinc/43/27/98/380432798.db2.gz CGWJOJZSIKOARZ-MRXNPFEDSA-N 2 2 289.448 3.365 20 0 CGADLP [NH3+][C@H](C[NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000414828881 380438648 /nfs/dbraw/zinc/43/86/48/380438648.db2.gz JRGQUQNBKKSUQY-QGZVFWFLSA-N 2 2 286.444 3.209 20 0 CGADLP C[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000414833800 380442266 /nfs/dbraw/zinc/44/22/66/380442266.db2.gz QGPHWSGNPNVCCT-DYVFJYSZSA-N 2 2 272.367 3.219 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000414832788 380442523 /nfs/dbraw/zinc/44/25/23/380442523.db2.gz OWNZSTQHWNDRPK-IXDOHACOSA-N 2 2 258.409 3.245 20 0 CGADLP CC(C)(C)c1nc(C[NH2+]CC2([NH3+])CCCCC2)cs1 ZINC000414839778 380445369 /nfs/dbraw/zinc/44/53/69/380445369.db2.gz JJXDBEDPYZWDNP-UHFFFAOYSA-N 2 2 281.469 3.192 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839852 380448531 /nfs/dbraw/zinc/44/85/31/380448531.db2.gz WQONXDYAOOZGHG-BBRMVZONSA-N 2 2 274.433 3.359 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)CCCS2)c[nH+]1 ZINC000354472053 380451162 /nfs/dbraw/zinc/45/11/62/380451162.db2.gz WWOIBXHYONYXHM-OAHLLOKOSA-N 2 2 264.438 3.198 20 0 CGADLP CCN(C)c1ccc(CNc2ccc([C@H](C)[NH3+])cc2)c[nH+]1 ZINC000414804534 380415899 /nfs/dbraw/zinc/41/58/99/380415899.db2.gz KSRSGGPCIRCOGW-ZDUSSCGKSA-N 2 2 284.407 3.170 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2C2CCOCC2)c[nH+]1 ZINC000354569296 380488844 /nfs/dbraw/zinc/48/88/44/380488844.db2.gz KQHLARHACASQAM-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2C2CCOCC2)c[nH+]1 ZINC000354569296 380488849 /nfs/dbraw/zinc/48/88/49/380488849.db2.gz KQHLARHACASQAM-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414928285 380494249 /nfs/dbraw/zinc/49/42/49/380494249.db2.gz MSVLKRHKAGFFHY-XJKSGUPXSA-N 2 2 270.376 3.034 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[NH2+]1 ZINC000414944212 380499657 /nfs/dbraw/zinc/49/96/57/380499657.db2.gz GIIXBCDRMXGVDZ-PSASIEDQSA-N 2 2 291.197 3.363 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952109 380501955 /nfs/dbraw/zinc/50/19/55/380501955.db2.gz HUFLNGZYLAMSAN-COXVUDFISA-N 2 2 258.409 3.042 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)c[nH+]1 ZINC000354648750 380513605 /nfs/dbraw/zinc/51/36/05/380513605.db2.gz AFHYUHKGTVGSQV-OAHLLOKOSA-N 2 2 276.424 3.258 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414860279 380461578 /nfs/dbraw/zinc/46/15/78/380461578.db2.gz CHTWVLQIFHIOAJ-CQSZACIVSA-N 2 2 290.407 3.396 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)C1CC1 ZINC000414896965 380478284 /nfs/dbraw/zinc/47/82/84/380478284.db2.gz QIEOJFXOIFDRDF-SFHVURJKSA-N 2 2 296.414 3.093 20 0 CGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)n1C ZINC000644901133 380543161 /nfs/dbraw/zinc/54/31/61/380543161.db2.gz SDVWYFXNWJGVLY-MRXNPFEDSA-N 2 2 298.434 3.069 20 0 CGADLP CN(C)c1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)n1C ZINC000644901133 380543166 /nfs/dbraw/zinc/54/31/66/380543166.db2.gz SDVWYFXNWJGVLY-MRXNPFEDSA-N 2 2 298.434 3.069 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC000355113130 380580306 /nfs/dbraw/zinc/58/03/06/380580306.db2.gz JDXRIIJPTZAWTO-QAPCUYQASA-N 2 2 290.451 3.460 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC000355113130 380580309 /nfs/dbraw/zinc/58/03/09/380580309.db2.gz JDXRIIJPTZAWTO-QAPCUYQASA-N 2 2 290.451 3.460 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC000355140705 380597054 /nfs/dbraw/zinc/59/70/54/380597054.db2.gz YSWZOHMWXXENFL-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCO[C@@H](C(C)(C)C)C2)c[nH+]1 ZINC000355140705 380597057 /nfs/dbraw/zinc/59/70/57/380597057.db2.gz YSWZOHMWXXENFL-MRXNPFEDSA-N 2 2 276.424 3.070 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000645157696 380598124 /nfs/dbraw/zinc/59/81/24/380598124.db2.gz QYBFBIRCWXCKAL-HNNXBMFYSA-N 2 2 296.349 3.412 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342869 380600062 /nfs/dbraw/zinc/60/00/62/380600062.db2.gz NLGMHNPXMMLEEC-XPABHHOTSA-N 2 2 278.465 3.312 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417342869 380600068 /nfs/dbraw/zinc/60/00/68/380600068.db2.gz NLGMHNPXMMLEEC-XPABHHOTSA-N 2 2 278.465 3.312 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@](C)(O)C2CCCCC2)c[nH+]1 ZINC000355166679 380607997 /nfs/dbraw/zinc/60/79/97/380607997.db2.gz RFTYRGUUDSLUNQ-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174553 380611792 /nfs/dbraw/zinc/61/17/92/380611792.db2.gz ZQWWFDOJAXJZHE-HIFRSBDPSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174553 380611797 /nfs/dbraw/zinc/61/17/97/380611797.db2.gz ZQWWFDOJAXJZHE-HIFRSBDPSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H](CC[NH2+]CC[N@H+]1CC=CCC1)c1ccccc1 ZINC000355507847 380691636 /nfs/dbraw/zinc/69/16/36/380691636.db2.gz XQHZVSHZOVLQDD-MRXNPFEDSA-N 2 2 258.409 3.032 20 0 CGADLP C[C@H](CC[NH2+]CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC000355507847 380691644 /nfs/dbraw/zinc/69/16/44/380691644.db2.gz XQHZVSHZOVLQDD-MRXNPFEDSA-N 2 2 258.409 3.032 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCSC[C@H]2C2CCC2)[nH+]1 ZINC000418121984 380705218 /nfs/dbraw/zinc/70/52/18/380705218.db2.gz DIUZVZYUHJXXEX-HNNXBMFYSA-N 2 2 287.432 3.052 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCSC[C@H]2C2CCC2)[nH+]1 ZINC000418121984 380705222 /nfs/dbraw/zinc/70/52/22/380705222.db2.gz DIUZVZYUHJXXEX-HNNXBMFYSA-N 2 2 287.432 3.052 20 0 CGADLP CC(C)[NH+](CCN(C)c1cc[nH+]c2ccncc21)C(C)C ZINC000355569893 380713966 /nfs/dbraw/zinc/71/39/66/380713966.db2.gz UYYKBCPWNMCJQG-UHFFFAOYSA-N 2 2 286.423 3.185 20 0 CGADLP Fc1cccc(F)c1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000645813133 380740176 /nfs/dbraw/zinc/74/01/76/380740176.db2.gz URFBACUZSDIUNX-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000356690489 380825140 /nfs/dbraw/zinc/82/51/40/380825140.db2.gz ZORALLHGNUNOHQ-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccc(OC(F)F)cc1 ZINC000420363277 380852787 /nfs/dbraw/zinc/85/27/87/380852787.db2.gz JHOAJRFFDOPTLT-OXJKWZBOSA-N 2 2 298.377 3.325 20 0 CGADLP CC[C@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000421384013 380926789 /nfs/dbraw/zinc/92/67/89/380926789.db2.gz OJYGNHKGSHRVGA-NSHDSACASA-N 2 2 266.351 3.039 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000356837167 380893211 /nfs/dbraw/zinc/89/32/11/380893211.db2.gz DDNLTFJUZQYLFL-AWEZNQCLSA-N 2 2 263.429 3.025 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000356837167 380893219 /nfs/dbraw/zinc/89/32/19/380893219.db2.gz DDNLTFJUZQYLFL-AWEZNQCLSA-N 2 2 263.429 3.025 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000356884923 380921012 /nfs/dbraw/zinc/92/10/12/380921012.db2.gz WXBQCLWFQWQRCQ-LBPRGKRZSA-N 2 2 276.346 3.102 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000357009747 380985781 /nfs/dbraw/zinc/98/57/81/380985781.db2.gz RIARBXDMVXLVAK-KGLIPLIRSA-N 2 2 261.413 3.415 20 0 CGADLP C[C@H](C1CCC1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000357021981 380991020 /nfs/dbraw/zinc/99/10/20/380991020.db2.gz JBCYCSPWDXOGML-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000357021981 380991027 /nfs/dbraw/zinc/99/10/27/380991027.db2.gz JBCYCSPWDXOGML-CQSZACIVSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000357413687 381149719 /nfs/dbraw/zinc/14/97/19/381149719.db2.gz CMSFOMXSQNZWGY-QAPCUYQASA-N 2 2 290.451 3.468 20 0 CGADLP Cc1cc[nH+]c(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000357663865 381241174 /nfs/dbraw/zinc/24/11/74/381241174.db2.gz SJESIBCTCRUJDN-PBHICJAKSA-N 2 2 269.392 3.493 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000359084784 381335931 /nfs/dbraw/zinc/33/59/31/381335931.db2.gz IAYOWNUVWRXNGL-OFQRWUPVSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000359084784 381335940 /nfs/dbraw/zinc/33/59/40/381335940.db2.gz IAYOWNUVWRXNGL-OFQRWUPVSA-N 2 2 250.430 3.051 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000360021570 381415082 /nfs/dbraw/zinc/41/50/82/381415082.db2.gz FUKDRVCWFUHBCT-RDJZCZTQSA-N 2 2 294.483 3.046 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000360021570 381415089 /nfs/dbraw/zinc/41/50/89/381415089.db2.gz FUKDRVCWFUHBCT-RDJZCZTQSA-N 2 2 294.483 3.046 20 0 CGADLP c1cn(C2CC[NH+](CCCc3ccsc3)CC2)c[nH+]1 ZINC000360971097 381638135 /nfs/dbraw/zinc/63/81/35/381638135.db2.gz YNFHHQPITQYGGQ-UHFFFAOYSA-N 2 2 275.421 3.214 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C(C)(C)O1 ZINC000361482188 381766356 /nfs/dbraw/zinc/76/63/56/381766356.db2.gz VSFUMLPLPZYZRR-MRXNPFEDSA-N 2 2 299.418 3.308 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000334908520 207276608 /nfs/dbraw/zinc/27/66/08/207276608.db2.gz DAAVOGXADABFRM-SMDDNHRTSA-N 2 2 275.783 3.202 20 0 CGADLP Clc1sccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361566708 381808937 /nfs/dbraw/zinc/80/89/37/381808937.db2.gz SNHGHIXAYICABL-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1sccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361566708 381808943 /nfs/dbraw/zinc/80/89/43/381808943.db2.gz SNHGHIXAYICABL-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000425335101 295642583 /nfs/dbraw/zinc/64/25/83/295642583.db2.gz HMBIOJFRMVLEAT-SLBVQIDZSA-N 2 2 278.465 3.161 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362911664 382144198 /nfs/dbraw/zinc/14/41/98/382144198.db2.gz CFTBZHKPROFHBK-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP Fc1ccc2cc(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)[nH]c2c1 ZINC000362929436 382154383 /nfs/dbraw/zinc/15/43/83/382154383.db2.gz DTARHSLXDQGFAB-CYBMUJFWSA-N 2 2 298.365 3.171 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000232736425 542306362 /nfs/dbraw/zinc/30/63/62/542306362.db2.gz JANXOYVYILCSGX-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000232736425 542306366 /nfs/dbraw/zinc/30/63/66/542306366.db2.gz JANXOYVYILCSGX-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000235087380 542311327 /nfs/dbraw/zinc/31/13/27/542311327.db2.gz WYECASNQHRQPGM-GXTWGEPZSA-N 2 2 264.438 3.201 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000235510107 542312223 /nfs/dbraw/zinc/31/22/23/542312223.db2.gz GJWOYHRNZOBUDO-WCQYABFASA-N 2 2 252.427 3.158 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101436 382365437 /nfs/dbraw/zinc/36/54/37/382365437.db2.gz KFXHQCAXWZDPSK-UKRRQHHQSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101436 382365439 /nfs/dbraw/zinc/36/54/39/382365439.db2.gz KFXHQCAXWZDPSK-UKRRQHHQSA-N 2 2 297.402 3.079 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000250734865 542344133 /nfs/dbraw/zinc/34/41/33/542344133.db2.gz GTBFAVWFIQNJSP-SWLSCSKDSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(F)c1F ZINC000250734865 542344136 /nfs/dbraw/zinc/34/41/36/542344136.db2.gz GTBFAVWFIQNJSP-SWLSCSKDSA-N 2 2 298.352 3.068 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000251916614 542349190 /nfs/dbraw/zinc/34/91/90/542349190.db2.gz YDEVGBJBPITMKM-GXTWGEPZSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2)CC[C@H]1[NH3+] ZINC000251916614 542349196 /nfs/dbraw/zinc/34/91/96/542349196.db2.gz YDEVGBJBPITMKM-GXTWGEPZSA-N 2 2 297.240 3.008 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253031257 542351892 /nfs/dbraw/zinc/35/18/92/542351892.db2.gz RVLMLHCFKJKQLH-IUODEOHRSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253031257 542351894 /nfs/dbraw/zinc/35/18/94/542351894.db2.gz RVLMLHCFKJKQLH-IUODEOHRSA-N 2 2 296.817 3.443 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000423327234 533028632 /nfs/dbraw/zinc/02/86/32/533028632.db2.gz JVKVRGDIKRGCMJ-INIZCTEOSA-N 2 2 298.430 3.240 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN(C)Cc1ccccc1 ZINC000289363408 197312715 /nfs/dbraw/zinc/31/27/15/197312715.db2.gz YYDFJZYXGZXKLD-UHFFFAOYSA-N 2 2 297.446 3.044 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000285703199 542389251 /nfs/dbraw/zinc/38/92/51/542389251.db2.gz PEDJGVSDOVOMCF-HNNXBMFYSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000353839126 220359035 /nfs/dbraw/zinc/35/90/35/220359035.db2.gz CQYQWIWXCKRFJQ-CXAGYDPISA-N 2 2 276.399 3.301 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Cl)c1 ZINC000424350847 533110076 /nfs/dbraw/zinc/11/00/76/533110076.db2.gz OUNUYMSSGWHNBP-NWDGAFQWSA-N 2 2 284.831 3.197 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000354457051 220751798 /nfs/dbraw/zinc/75/17/98/220751798.db2.gz DQYGTZJDXBSTJR-INIZCTEOSA-N 2 2 274.408 3.014 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328465359 542444410 /nfs/dbraw/zinc/44/44/10/542444410.db2.gz JAYLBEXUPHJACK-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000328465359 542444413 /nfs/dbraw/zinc/44/44/13/542444413.db2.gz JAYLBEXUPHJACK-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334178079 542454255 /nfs/dbraw/zinc/45/42/55/542454255.db2.gz DGOPJSICYXKYGR-SUMWQHHRSA-N 2 2 291.439 3.109 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334178079 542454258 /nfs/dbraw/zinc/45/42/58/542454258.db2.gz DGOPJSICYXKYGR-SUMWQHHRSA-N 2 2 291.439 3.109 20 0 CGADLP COCCC1(C[NH2+]CC[NH+]2CCC(C)CC2)CCCCC1 ZINC000436270667 533207409 /nfs/dbraw/zinc/20/74/09/533207409.db2.gz OQYYONLWFWKVRD-UHFFFAOYSA-N 2 2 296.499 3.295 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000188993145 285287546 /nfs/dbraw/zinc/28/75/46/285287546.db2.gz HTNMNZOMNFXWFT-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1(CCOC)CCCCC1 ZINC000188993145 285287547 /nfs/dbraw/zinc/28/75/47/285287547.db2.gz HTNMNZOMNFXWFT-INIZCTEOSA-N 2 2 282.472 3.047 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000342741532 542498131 /nfs/dbraw/zinc/49/81/31/542498131.db2.gz SFTRYCMVSAUZGH-HNNXBMFYSA-N 2 2 298.434 3.007 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000348100225 542513632 /nfs/dbraw/zinc/51/36/32/542513632.db2.gz DBFYLDNTOPTULH-CABCVRRESA-N 2 2 259.397 3.052 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000348101925 542515727 /nfs/dbraw/zinc/51/57/27/542515727.db2.gz JLUCAHXBCLNFIF-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[NH+](CC)C[C@H](C)N[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353512521 542558568 /nfs/dbraw/zinc/55/85/68/542558568.db2.gz DKPNWWWLJJIWIO-HOCLYGCPSA-N 2 2 292.471 3.351 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](OCCC(C)C)C2)c[nH+]1 ZINC000353662892 542560395 /nfs/dbraw/zinc/56/03/95/542560395.db2.gz ZSSHZXBTDAZRLG-GOSISDBHSA-N 2 2 290.451 3.460 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](OCCC(C)C)C2)c[nH+]1 ZINC000353662892 542560399 /nfs/dbraw/zinc/56/03/99/542560399.db2.gz ZSSHZXBTDAZRLG-GOSISDBHSA-N 2 2 290.451 3.460 20 0 CGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]3)ccc2c1 ZINC000423237863 533336404 /nfs/dbraw/zinc/33/64/04/533336404.db2.gz QGEQIFDQEKTZFF-CXAGYDPISA-N 2 2 284.403 3.251 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1F ZINC000423234002 533412995 /nfs/dbraw/zinc/41/29/95/533412995.db2.gz FHGBUZOZFIUBIM-BDJLRTHQSA-N 2 2 276.330 3.315 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867742 288396457 /nfs/dbraw/zinc/39/64/57/288396457.db2.gz WLJWEVIXDGEZPN-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1N(C)C ZINC000367438514 533467481 /nfs/dbraw/zinc/46/74/81/533467481.db2.gz NKKHYLBTYGHMFO-CQSZACIVSA-N 2 2 298.434 3.136 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1OCc1ccccc1 ZINC000423376346 533498574 /nfs/dbraw/zinc/49/85/74/533498574.db2.gz VDJIGKOZUHPWKL-LSDHHAIUSA-N 2 2 284.403 3.263 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414928277 533669515 /nfs/dbraw/zinc/66/95/15/533669515.db2.gz MSVLKRHKAGFFHY-BBRMVZONSA-N 2 2 270.376 3.034 20 0 CGADLP CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361744001 542585524 /nfs/dbraw/zinc/58/55/24/542585524.db2.gz DWEQERDAHKVACP-ZWKOTPCHSA-N 2 2 299.418 3.228 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000380300958 542595081 /nfs/dbraw/zinc/59/50/81/542595081.db2.gz HUSAXUAESCTERL-HEHGZKQESA-N 2 2 287.432 3.417 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389187005 542606613 /nfs/dbraw/zinc/60/66/13/542606613.db2.gz SLWCCYICBGSEQM-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000389187005 542606617 /nfs/dbraw/zinc/60/66/17/542606617.db2.gz SLWCCYICBGSEQM-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000381873470 542598929 /nfs/dbraw/zinc/59/89/29/542598929.db2.gz MEYZCOXUCNOGRV-BMFZPTHFSA-N 2 2 294.389 3.427 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000381873470 542598933 /nfs/dbraw/zinc/59/89/33/542598933.db2.gz MEYZCOXUCNOGRV-BMFZPTHFSA-N 2 2 294.389 3.427 20 0 CGADLP CC[C@H](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000394395608 542614067 /nfs/dbraw/zinc/61/40/67/542614067.db2.gz BJNXJYQJITXBJC-AWEZNQCLSA-N 2 2 261.413 3.076 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412032007 542630655 /nfs/dbraw/zinc/63/06/55/542630655.db2.gz GRQGGZPHMKJEQI-AWEZNQCLSA-N 2 2 277.456 3.499 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000412032007 542630660 /nfs/dbraw/zinc/63/06/60/542630660.db2.gz GRQGGZPHMKJEQI-AWEZNQCLSA-N 2 2 277.456 3.499 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000400710760 291987812 /nfs/dbraw/zinc/98/78/12/291987812.db2.gz MCPZKJBWEDIHPZ-COPLHBTASA-N 2 2 252.427 3.156 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n1C ZINC000070143064 392176910 /nfs/dbraw/zinc/17/69/10/392176910.db2.gz LPOBMKVLCAMOFP-CABCVRRESA-N 2 2 292.471 3.181 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000071120421 392188331 /nfs/dbraw/zinc/18/83/31/392188331.db2.gz CDGHKTHDAWJWIO-CVEARBPZSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285804583 392332469 /nfs/dbraw/zinc/33/24/69/392332469.db2.gz VLBRGYOHLIKARG-GDBMZVCRSA-N 2 2 257.381 3.321 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237357711 131025185 /nfs/dbraw/zinc/02/51/85/131025185.db2.gz MIZGTAPDWHBDAM-HNNXBMFYSA-N 2 2 299.418 3.254 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000361798013 392324836 /nfs/dbraw/zinc/32/48/36/392324836.db2.gz LKZSFDXTEJKHGZ-UHFFFAOYSA-N 2 2 266.388 3.381 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000361798013 392324841 /nfs/dbraw/zinc/32/48/41/392324841.db2.gz LKZSFDXTEJKHGZ-UHFFFAOYSA-N 2 2 266.388 3.381 20 0 CGADLP CCCC[C@H](CC)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000438123677 542662330 /nfs/dbraw/zinc/66/23/30/542662330.db2.gz YMNWGYQPNYFQFZ-INIZCTEOSA-N 2 2 292.471 3.134 20 0 CGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccn(C)c2)[NH+]2CCCC2)cc1 ZINC000124599690 392435513 /nfs/dbraw/zinc/43/55/13/392435513.db2.gz AJMZEUIOVFWFGH-LJQANCHMSA-N 2 2 297.446 3.260 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc(Cl)cc2C1 ZINC000154379677 392534973 /nfs/dbraw/zinc/53/49/73/392534973.db2.gz BODIFDSCGLNIKZ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc(Cl)cc2C1 ZINC000154379677 392534979 /nfs/dbraw/zinc/53/49/79/392534979.db2.gz BODIFDSCGLNIKZ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000154379677 392534983 /nfs/dbraw/zinc/53/49/83/392534983.db2.gz BODIFDSCGLNIKZ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000154379677 392534987 /nfs/dbraw/zinc/53/49/87/392534987.db2.gz BODIFDSCGLNIKZ-MRXNPFEDSA-N 2 2 278.827 3.182 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCCOc2ccccc21)[NH+]1CCCC1 ZINC000151697574 392485945 /nfs/dbraw/zinc/48/59/45/392485945.db2.gz NIFILXOGTHFMFK-DOTOQJQBSA-N 2 2 288.435 3.364 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000163289574 392604007 /nfs/dbraw/zinc/60/40/07/392604007.db2.gz AXGOORISAFHMDC-YJBOKZPZSA-N 2 2 290.451 3.010 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)cc1 ZINC000163289574 392604014 /nfs/dbraw/zinc/60/40/14/392604014.db2.gz AXGOORISAFHMDC-YJBOKZPZSA-N 2 2 290.451 3.010 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C/c1ccccc1)CCC2 ZINC000372582468 392620942 /nfs/dbraw/zinc/62/09/42/392620942.db2.gz IUSFXVBPHAWFIH-HFTQHKIXSA-N 2 2 281.403 3.372 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533875 392754656 /nfs/dbraw/zinc/75/46/56/392754656.db2.gz ZSDSUSCETQZPLC-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533875 392754662 /nfs/dbraw/zinc/75/46/62/392754662.db2.gz ZSDSUSCETQZPLC-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)Cc1ccccc1 ZINC000375300655 392762469 /nfs/dbraw/zinc/76/24/69/392762469.db2.gz BXCXVCSGRIAOEV-OAHLLOKOSA-N 2 2 283.419 3.188 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccco3)cn21 ZINC000647364480 392707576 /nfs/dbraw/zinc/70/75/76/392707576.db2.gz AXNGYEDZWCBDTO-ZDUSSCGKSA-N 2 2 269.348 3.129 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCc4ccccc43)cn21 ZINC000647364664 392707815 /nfs/dbraw/zinc/70/78/15/392707815.db2.gz HUMILLQVFNNIFN-GOSISDBHSA-N 2 2 291.398 3.462 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1csc(C)c1 ZINC000647804722 392806857 /nfs/dbraw/zinc/80/68/57/392806857.db2.gz WWSCFISLYWXDGB-XBFCOCLRSA-N 2 2 252.427 3.238 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000510693309 392810233 /nfs/dbraw/zinc/81/02/33/392810233.db2.gz AHSKOYMWFJKXIP-PXAZEXFGSA-N 2 2 296.405 3.216 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377802327 392890068 /nfs/dbraw/zinc/89/00/68/392890068.db2.gz INJKVKQNXAGGND-ZNMIVQPWSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377802327 392890072 /nfs/dbraw/zinc/89/00/72/392890072.db2.gz INJKVKQNXAGGND-ZNMIVQPWSA-N 2 2 275.440 3.462 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000382039488 392917241 /nfs/dbraw/zinc/91/72/41/392917241.db2.gz DDTQUSQTGZBFCF-PRLABOORSA-N 2 2 261.413 3.078 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000513673672 542733086 /nfs/dbraw/zinc/73/30/86/542733086.db2.gz VPQHNKSWCYOPRJ-GJZGRUSLSA-N 2 2 271.408 3.369 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC(F)(F)F ZINC000402505073 392955423 /nfs/dbraw/zinc/95/54/23/392955423.db2.gz ATUBBZSEKCURDL-SDDRHHMPSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)CC(F)(F)F ZINC000402505073 392955428 /nfs/dbraw/zinc/95/54/28/392955428.db2.gz ATUBBZSEKCURDL-SDDRHHMPSA-N 2 2 278.362 3.180 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)sn1 ZINC000404442373 392966226 /nfs/dbraw/zinc/96/62/26/392966226.db2.gz HYOFEJNFBBWJBH-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)sn1 ZINC000404442373 392966233 /nfs/dbraw/zinc/96/62/33/392966233.db2.gz HYOFEJNFBBWJBH-UHFFFAOYSA-N 2 2 289.448 3.063 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Cl ZINC000195445588 392968470 /nfs/dbraw/zinc/96/84/70/392968470.db2.gz KXRNTCHPDHSLOQ-JSGCOSHPSA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000195445588 392968475 /nfs/dbraw/zinc/96/84/75/392968475.db2.gz KXRNTCHPDHSLOQ-JSGCOSHPSA-N 2 2 278.827 3.363 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341911461 392994411 /nfs/dbraw/zinc/99/44/11/392994411.db2.gz UUBHLLUMTMFOEM-BYCMXARLSA-N 2 2 294.826 3.093 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341911461 392994418 /nfs/dbraw/zinc/99/44/18/392994418.db2.gz UUBHLLUMTMFOEM-BYCMXARLSA-N 2 2 294.826 3.093 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000545865626 393010612 /nfs/dbraw/zinc/01/06/12/393010612.db2.gz NSUPSSNJGAVPSJ-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000545865626 393010618 /nfs/dbraw/zinc/01/06/18/393010618.db2.gz NSUPSSNJGAVPSJ-INIZCTEOSA-N 2 2 258.409 3.298 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000648432459 393014505 /nfs/dbraw/zinc/01/45/05/393014505.db2.gz LJWZCXOHGBSSBY-HIFRSBDPSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000648432459 393014511 /nfs/dbraw/zinc/01/45/11/393014511.db2.gz LJWZCXOHGBSSBY-HIFRSBDPSA-N 2 2 272.392 3.048 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000648438437 393016027 /nfs/dbraw/zinc/01/60/27/393016027.db2.gz HIWSRKAMNKNIAO-KSZLIROESA-N 2 2 290.451 3.145 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000415038451 393106247 /nfs/dbraw/zinc/10/62/47/393106247.db2.gz MAWCPNQLTJSEQN-LBPRGKRZSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CC[NH2+]1 ZINC000414949277 393058997 /nfs/dbraw/zinc/05/89/97/393058997.db2.gz NKKLOOVZTYIUSX-WDEREUQCSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]1 ZINC000414951320 393060114 /nfs/dbraw/zinc/06/01/14/393060114.db2.gz PQUAFIJGIXZASW-TZMCWYRMSA-N 2 2 287.432 3.040 20 0 CGADLP CC/C=C/CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000546637327 393064188 /nfs/dbraw/zinc/06/41/88/393064188.db2.gz KLINYEDIAIBWMX-ONEGZZNKSA-N 2 2 259.397 3.314 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414957066 393065426 /nfs/dbraw/zinc/06/54/26/393065426.db2.gz PLQAHIZUESGUQV-LJQANCHMSA-N 2 2 296.414 3.062 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccsc1 ZINC000415063947 393123318 /nfs/dbraw/zinc/12/33/18/393123318.db2.gz JHKRVUIIVMCBFX-OAHLLOKOSA-N 2 2 260.406 3.100 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CCCC1 ZINC000415068922 393125761 /nfs/dbraw/zinc/12/57/61/393125761.db2.gz RSBBAJBIXLPNNA-AWEZNQCLSA-N 2 2 270.779 3.086 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1CCCC1 ZINC000415073881 393130180 /nfs/dbraw/zinc/13/01/80/393130180.db2.gz ZZAXGECKMITWNF-HNNXBMFYSA-N 2 2 276.355 3.179 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1C(F)(F)F ZINC000415077869 393131296 /nfs/dbraw/zinc/13/12/96/393131296.db2.gz UNYQRSVKFDARTC-ZDUSSCGKSA-N 2 2 286.341 3.246 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415081672 393134084 /nfs/dbraw/zinc/13/40/84/393134084.db2.gz NCGCLYWZQCNXLK-VXGBXAGGSA-N 2 2 281.469 3.091 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087385 393138587 /nfs/dbraw/zinc/13/85/87/393138587.db2.gz SZKVCNBXPLZJQK-IUODEOHRSA-N 2 2 268.351 3.148 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261692262 393140765 /nfs/dbraw/zinc/14/07/65/393140765.db2.gz HNXJWFHVUDCDTD-PBHICJAKSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261692262 393140773 /nfs/dbraw/zinc/14/07/73/393140773.db2.gz HNXJWFHVUDCDTD-PBHICJAKSA-N 2 2 294.389 3.004 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)CC[NH3+] ZINC000415106104 393146857 /nfs/dbraw/zinc/14/68/57/393146857.db2.gz JEFGCJJKZLCVEO-YVMONPNESA-N 2 2 296.414 3.169 20 0 CGADLP C[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)CC[NH3+] ZINC000415106104 393146861 /nfs/dbraw/zinc/14/68/61/393146861.db2.gz JEFGCJJKZLCVEO-YVMONPNESA-N 2 2 296.414 3.169 20 0 CGADLP CCCC[C@H](COC)[NH2+]CCCCNc1cccc[nH+]1 ZINC000268894791 393206392 /nfs/dbraw/zinc/20/63/92/393206392.db2.gz ZRWKRUMWBJASBF-OAHLLOKOSA-N 2 2 279.428 3.069 20 0 CGADLP CCc1cccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000469714986 393207784 /nfs/dbraw/zinc/20/77/84/393207784.db2.gz IFBGESLZKRATEI-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP Cc1cnc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000276419951 393299358 /nfs/dbraw/zinc/29/93/58/393299358.db2.gz IGUKDBPNDUPUAK-CYBMUJFWSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+]CCCn3cc[nH+]c3)cc2c1C ZINC000471972147 393324353 /nfs/dbraw/zinc/32/43/53/393324353.db2.gz FFTZLLIMORXZNJ-UHFFFAOYSA-N 2 2 282.391 3.161 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c(C)c1 ZINC000280647578 393343244 /nfs/dbraw/zinc/34/32/44/393343244.db2.gz ZWNVHPNNZFTBSC-QGZVFWFLSA-N 2 2 283.419 3.380 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c(C)c1 ZINC000280647578 393343247 /nfs/dbraw/zinc/34/32/47/393343247.db2.gz ZWNVHPNNZFTBSC-QGZVFWFLSA-N 2 2 283.419 3.380 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000474924128 393357185 /nfs/dbraw/zinc/35/71/85/393357185.db2.gz HTUOZBLINCLSQT-XHSDSOJGSA-N 2 2 275.440 3.392 20 0 CGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000649416501 393417023 /nfs/dbraw/zinc/41/70/23/393417023.db2.gz CBUTUMLDEKFCPA-SQWLQELKSA-N 2 2 299.418 3.462 20 0 CGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC[C@H]1[NH3+] ZINC000649416501 393417029 /nfs/dbraw/zinc/41/70/29/393417029.db2.gz CBUTUMLDEKFCPA-SQWLQELKSA-N 2 2 299.418 3.462 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)OC ZINC000356345667 393424165 /nfs/dbraw/zinc/42/41/65/393424165.db2.gz YOAWQJGONKOYRP-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)OC ZINC000356345667 393424168 /nfs/dbraw/zinc/42/41/68/393424168.db2.gz YOAWQJGONKOYRP-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479559006 393433363 /nfs/dbraw/zinc/43/33/63/393433363.db2.gz SNFBRUIWCHIFNQ-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479559006 393433367 /nfs/dbraw/zinc/43/33/67/393433367.db2.gz SNFBRUIWCHIFNQ-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)on2)cc1 ZINC000420380709 393480939 /nfs/dbraw/zinc/48/09/39/393480939.db2.gz YPOHJLXVUDDPMM-SUNYJGFJSA-N 2 2 299.418 3.126 20 0 CGADLP CC(C)OCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426750698 393450848 /nfs/dbraw/zinc/45/08/48/393450848.db2.gz POURCPSAQAXURT-UHFFFAOYSA-N 2 2 284.488 3.388 20 0 CGADLP CC(C)OCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426750698 393450857 /nfs/dbraw/zinc/45/08/57/393450857.db2.gz POURCPSAQAXURT-UHFFFAOYSA-N 2 2 284.488 3.388 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420305255 393457357 /nfs/dbraw/zinc/45/73/57/393457357.db2.gz YTIJWJXAKBONED-AWEZNQCLSA-N 2 2 296.842 3.169 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420305255 393457360 /nfs/dbraw/zinc/45/73/60/393457360.db2.gz YTIJWJXAKBONED-AWEZNQCLSA-N 2 2 296.842 3.169 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000488365888 393497819 /nfs/dbraw/zinc/49/78/19/393497819.db2.gz JUNDRXXMZBDLGO-HZSPNIEDSA-N 2 2 264.438 3.131 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)CCC2 ZINC000359324311 393543680 /nfs/dbraw/zinc/54/36/80/393543680.db2.gz QZXVHGCYOAFBAJ-ARFHVFGLSA-N 2 2 273.424 3.237 20 0 CGADLP CC(C)Oc1cc[nH+]c(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)c1 ZINC000649620246 393516196 /nfs/dbraw/zinc/51/61/96/393516196.db2.gz SZOHOWJNUXFHEN-KBPBESRZSA-N 2 2 299.418 3.484 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792346 393516507 /nfs/dbraw/zinc/51/65/07/393516507.db2.gz KJHPEDLPZKTQSO-AVGNSLFASA-N 2 2 293.480 3.155 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792346 393516508 /nfs/dbraw/zinc/51/65/08/393516508.db2.gz KJHPEDLPZKTQSO-AVGNSLFASA-N 2 2 293.480 3.155 20 0 CGADLP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+]1CCCCCC1 ZINC000488460758 393521988 /nfs/dbraw/zinc/52/19/88/393521988.db2.gz PFIQFHVQNCQGGN-JYJNAYRXSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]([NH2+]CCC[NH+](C)C)c1cc(F)ccc1F ZINC000358915304 393529368 /nfs/dbraw/zinc/52/93/68/393529368.db2.gz OFPKCLSKFBJWRV-OAHLLOKOSA-N 2 2 270.367 3.203 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccsc1)CCC2 ZINC000360078313 393560150 /nfs/dbraw/zinc/56/01/50/393560150.db2.gz HCEBEYAGQXFTQI-CHWSQXEVSA-N 2 2 275.421 3.481 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360545081 393570811 /nfs/dbraw/zinc/57/08/11/393570811.db2.gz LIZPFRXCLZTVQS-HOTGVXAUSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360545081 393570813 /nfs/dbraw/zinc/57/08/13/393570813.db2.gz LIZPFRXCLZTVQS-HOTGVXAUSA-N 2 2 280.362 3.101 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000360854594 393598724 /nfs/dbraw/zinc/59/87/24/393598724.db2.gz KPVRQQDIEWCRCU-RYUDHWBXSA-N 2 2 284.831 3.339 20 0 CGADLP CC(C)CCc1nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs1 ZINC000430578717 393578964 /nfs/dbraw/zinc/57/89/64/393578964.db2.gz BFKOCVGELFCWQY-OAHLLOKOSA-N 2 2 283.485 3.195 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632342 393582042 /nfs/dbraw/zinc/58/20/42/393582042.db2.gz YDIWVHPAVIHLNZ-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000430632342 393582051 /nfs/dbraw/zinc/58/20/51/393582051.db2.gz YDIWVHPAVIHLNZ-HUUCEWRRSA-N 2 2 299.418 3.334 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)CC1 ZINC000432798118 393640908 /nfs/dbraw/zinc/64/09/08/393640908.db2.gz HKWXDNYIGJHBQW-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)CC1 ZINC000432798118 393640914 /nfs/dbraw/zinc/64/09/14/393640914.db2.gz HKWXDNYIGJHBQW-CQSZACIVSA-N 2 2 293.480 3.327 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423006922 393647896 /nfs/dbraw/zinc/64/78/96/393647896.db2.gz WUNDUSDPBNFLFK-OSRSDYAFSA-N 2 2 258.409 3.213 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000666910402 542825395 /nfs/dbraw/zinc/82/53/95/542825395.db2.gz AACGGWILBLSZHC-LBPRGKRZSA-N 2 2 267.442 3.018 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245539 393656071 /nfs/dbraw/zinc/65/60/71/393656071.db2.gz YOTKYGZFPWZQED-GWCFXTLKSA-N 2 2 282.840 3.219 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423240525 393656299 /nfs/dbraw/zinc/65/62/99/393656299.db2.gz HJXBUTIEPDLQFO-GFCCVEGCSA-N 2 2 270.829 3.076 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423262627 393657597 /nfs/dbraw/zinc/65/75/97/393657597.db2.gz MXAOFCFGNHEZPE-ONGXEEELSA-N 2 2 274.330 3.128 20 0 CGADLP CCSCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361057993 393658980 /nfs/dbraw/zinc/65/89/80/393658980.db2.gz AVQXVENRAGUIQU-UHFFFAOYSA-N 2 2 281.469 3.128 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423297549 393660147 /nfs/dbraw/zinc/66/01/47/393660147.db2.gz KTLLIAASPFBEMP-PWSUYJOCSA-N 2 2 256.340 3.133 20 0 CGADLP CCOC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443206697 393749600 /nfs/dbraw/zinc/74/96/00/393749600.db2.gz XHWTUTMSBRAYSO-YQQAZPJKSA-N 2 2 278.440 3.001 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000433152473 393690279 /nfs/dbraw/zinc/69/02/79/393690279.db2.gz MASCPBAHBQSXMT-CQSZACIVSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000433152473 393690283 /nfs/dbraw/zinc/69/02/83/393690283.db2.gz MASCPBAHBQSXMT-CQSZACIVSA-N 2 2 272.436 3.211 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433302883 393709297 /nfs/dbraw/zinc/70/92/97/393709297.db2.gz YWAJNDHEXQWYKX-CQSZACIVSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]C[C@@H]3CCCOC3)cc2)c1C ZINC000361237614 393710288 /nfs/dbraw/zinc/71/02/88/393710288.db2.gz LKLHMCQSMASASS-HNNXBMFYSA-N 2 2 285.391 3.328 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1Cl ZINC000443991890 393780205 /nfs/dbraw/zinc/78/02/05/393780205.db2.gz XEACJXUQDNIXOW-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1Cl ZINC000443991890 393780207 /nfs/dbraw/zinc/78/02/07/393780207.db2.gz XEACJXUQDNIXOW-DOMZBBRYSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1Cl ZINC000443993276 393780925 /nfs/dbraw/zinc/78/09/25/393780925.db2.gz AGJVOTBSHDUWHM-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1Cl ZINC000443993276 393780931 /nfs/dbraw/zinc/78/09/31/393780931.db2.gz AGJVOTBSHDUWHM-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000446941164 393863714 /nfs/dbraw/zinc/86/37/14/393863714.db2.gz YLRUFJCBZDQBPJ-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(F)c1 ZINC000446941164 393863719 /nfs/dbraw/zinc/86/37/19/393863719.db2.gz YLRUFJCBZDQBPJ-OAUYIBNBSA-N 2 2 276.399 3.349 20 0 CGADLP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449558988 393903116 /nfs/dbraw/zinc/90/31/16/393903116.db2.gz ZDWIJSMOSNGJKA-WFASDCNBSA-N 2 2 275.421 3.316 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000503927777 393909221 /nfs/dbraw/zinc/90/92/21/393909221.db2.gz QIBNDCZOLQLMGU-MAZHCROVSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000503927777 393909223 /nfs/dbraw/zinc/90/92/23/393909223.db2.gz QIBNDCZOLQLMGU-MAZHCROVSA-N 2 2 264.388 3.063 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666993798 542832552 /nfs/dbraw/zinc/83/25/52/542832552.db2.gz KTXURYJUYILGMM-GFCCVEGCSA-N 2 2 293.480 3.205 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)n1C ZINC000667470934 542872285 /nfs/dbraw/zinc/87/22/85/542872285.db2.gz QVKSVUQRSAPBAN-KRWDZBQOSA-N 2 2 284.407 3.241 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)n1C ZINC000667470934 542872286 /nfs/dbraw/zinc/87/22/86/542872286.db2.gz QVKSVUQRSAPBAN-KRWDZBQOSA-N 2 2 284.407 3.241 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)cc[nH+]1 ZINC000450498686 394006043 /nfs/dbraw/zinc/00/60/43/394006043.db2.gz HSWDDMZVKUYCET-QGZVFWFLSA-N 2 2 272.392 3.425 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)cc[nH+]1 ZINC000450498686 394006045 /nfs/dbraw/zinc/00/60/45/394006045.db2.gz HSWDDMZVKUYCET-QGZVFWFLSA-N 2 2 272.392 3.425 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453064837 394157933 /nfs/dbraw/zinc/15/79/33/394157933.db2.gz UOQRXDVMKCVDIX-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453064837 394157939 /nfs/dbraw/zinc/15/79/39/394157939.db2.gz UOQRXDVMKCVDIX-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP c1c(CC[NH2+][C@H](C2CC2)C2CCCC2)[nH+]c2ccccn12 ZINC000453072717 394160891 /nfs/dbraw/zinc/16/08/91/394160891.db2.gz FVRZKBRIJHFFMF-SFHVURJKSA-N 2 2 283.419 3.435 20 0 CGADLP c1ccc(NCCC[NH2+][C@H](C2CC2)C2CCC2)[nH+]c1 ZINC000453134626 394183555 /nfs/dbraw/zinc/18/35/55/394183555.db2.gz SGQXQMSVWOAMRZ-INIZCTEOSA-N 2 2 259.397 3.052 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453380432 394226099 /nfs/dbraw/zinc/22/60/99/394226099.db2.gz AUHJTZDUFKYMHB-HUUCEWRRSA-N 2 2 270.436 3.369 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453380432 394226101 /nfs/dbraw/zinc/22/61/01/394226101.db2.gz AUHJTZDUFKYMHB-HUUCEWRRSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@H](c1ccco1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499411 542879038 /nfs/dbraw/zinc/87/90/38/542879038.db2.gz JIKVZSROLVJAOY-CYBMUJFWSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499411 542879042 /nfs/dbraw/zinc/87/90/42/542879042.db2.gz JIKVZSROLVJAOY-CYBMUJFWSA-N 2 2 282.347 3.053 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647662 542903976 /nfs/dbraw/zinc/90/39/76/542903976.db2.gz AXVDSTXQGYFNLD-ZBFHGGJFSA-N 2 2 281.403 3.207 20 0 CGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667647662 542903977 /nfs/dbraw/zinc/90/39/77/542903977.db2.gz AXVDSTXQGYFNLD-ZBFHGGJFSA-N 2 2 281.403 3.207 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000667664511 542910935 /nfs/dbraw/zinc/91/09/35/542910935.db2.gz MUHGCWPNISZKMB-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000667664511 542910939 /nfs/dbraw/zinc/91/09/39/542910939.db2.gz MUHGCWPNISZKMB-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667669580 542911621 /nfs/dbraw/zinc/91/16/21/542911621.db2.gz VXWKEZOTQXCHKJ-INIZCTEOSA-N 2 2 271.408 3.182 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667669580 542911623 /nfs/dbraw/zinc/91/16/23/542911623.db2.gz VXWKEZOTQXCHKJ-INIZCTEOSA-N 2 2 271.408 3.182 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667857174 542938648 /nfs/dbraw/zinc/93/86/48/542938648.db2.gz CZVXPNJLESETOP-SUJAAXHWSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(C)c2c(c1)C[N@@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000668008582 542957876 /nfs/dbraw/zinc/95/78/76/542957876.db2.gz ZUUZQVVYZUDVQG-UHFFFAOYSA-N 2 2 281.403 3.004 20 0 CGADLP Cc1cc(C)c2c(c1)C[N@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000668008582 542957879 /nfs/dbraw/zinc/95/78/79/542957879.db2.gz ZUUZQVVYZUDVQG-UHFFFAOYSA-N 2 2 281.403 3.004 20 0 CGADLP Cc1ccc([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)c(C)c1 ZINC000668091433 542968192 /nfs/dbraw/zinc/96/81/92/542968192.db2.gz GETHMALXVNDDRK-INIZCTEOSA-N 2 2 295.430 3.436 20 0 CGADLP Cc1ccc([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)c(C)c1 ZINC000668091433 542968195 /nfs/dbraw/zinc/96/81/95/542968195.db2.gz GETHMALXVNDDRK-INIZCTEOSA-N 2 2 295.430 3.436 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000423388964 285622456 /nfs/dbraw/zinc/62/24/56/285622456.db2.gz UPKOLCSSZLKIKZ-ZBFHGGJFSA-N 2 2 276.424 3.105 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000670154605 543142051 /nfs/dbraw/zinc/14/20/51/543142051.db2.gz ZMQRIOOLGLHOLW-MRXNPFEDSA-N 2 2 262.441 3.029 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000670154605 543142053 /nfs/dbraw/zinc/14/20/53/543142053.db2.gz ZMQRIOOLGLHOLW-MRXNPFEDSA-N 2 2 262.441 3.029 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000671305319 543168710 /nfs/dbraw/zinc/16/87/10/543168710.db2.gz SXVSRDQJJHZHLD-OAHLLOKOSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000671305319 543168713 /nfs/dbraw/zinc/16/87/13/543168713.db2.gz SXVSRDQJJHZHLD-OAHLLOKOSA-N 2 2 263.429 3.448 20 0 CGADLP CCc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000672271370 543206421 /nfs/dbraw/zinc/20/64/21/543206421.db2.gz WREUDRGIZDQICA-GUYCJALGSA-N 2 2 284.407 3.142 20 0 CGADLP CCc1cc(NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)nc[nH+]1 ZINC000672324551 543209051 /nfs/dbraw/zinc/20/90/51/543209051.db2.gz XKNZTJMSGXHWRY-GXTWGEPZSA-N 2 2 288.395 3.173 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000672807068 543227995 /nfs/dbraw/zinc/22/79/95/543227995.db2.gz ZLIPPQKLHFRZPJ-JCKWVBRZSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000672807068 543228000 /nfs/dbraw/zinc/22/80/00/543228000.db2.gz ZLIPPQKLHFRZPJ-JCKWVBRZSA-N 2 2 298.434 3.032 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917844 397609400 /nfs/dbraw/zinc/60/94/00/397609400.db2.gz BFXFNQGXFZORDL-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cs1 ZINC000037917844 397609401 /nfs/dbraw/zinc/60/94/01/397609401.db2.gz BFXFNQGXFZORDL-ZFWWWQNUSA-N 2 2 293.480 3.060 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)C2=CCCCC2)n1C ZINC000419691978 397699606 /nfs/dbraw/zinc/69/96/06/397699606.db2.gz XNHIKIGJTRZZEO-UHFFFAOYSA-N 2 2 290.455 3.102 20 0 CGADLP CC[C@H](OCC[NH2+]CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000650710205 397898298 /nfs/dbraw/zinc/89/82/98/397898298.db2.gz HSCRUHWSDIOHGB-INIZCTEOSA-N 2 2 278.440 3.132 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000675765350 543361866 /nfs/dbraw/zinc/36/18/66/543361866.db2.gz DCACVEMWWJXLSG-ZFWWWQNUSA-N 2 2 264.388 3.187 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000675765350 543361868 /nfs/dbraw/zinc/36/18/68/543361868.db2.gz DCACVEMWWJXLSG-ZFWWWQNUSA-N 2 2 264.388 3.187 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833789 543368622 /nfs/dbraw/zinc/36/86/22/543368622.db2.gz PAPAVEKTAXJJMU-YJBOKZPZSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)c1ccccc1 ZINC000675833789 543368624 /nfs/dbraw/zinc/36/86/24/543368624.db2.gz PAPAVEKTAXJJMU-YJBOKZPZSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923879 543374133 /nfs/dbraw/zinc/37/41/33/543374133.db2.gz UZZFEAGIYHLBTK-HYVNUMGLSA-N 2 2 283.419 3.482 20 0 CGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000675924812 543374313 /nfs/dbraw/zinc/37/43/13/543374313.db2.gz VFUHGFVKQQFZMW-BZUAXINKSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000675924812 543374316 /nfs/dbraw/zinc/37/43/16/543374316.db2.gz VFUHGFVKQQFZMW-BZUAXINKSA-N 2 2 252.446 3.133 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(Cl)o3)n2c1 ZINC000676415221 543397336 /nfs/dbraw/zinc/39/73/36/543397336.db2.gz IYJAJECHRPXWKM-UHFFFAOYSA-N 2 2 275.739 3.179 20 0 CGADLP FC1(F)CC2(C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000677732782 543462288 /nfs/dbraw/zinc/46/22/88/543462288.db2.gz OKDIKLOKBYQCCT-UHFFFAOYSA-N 2 2 289.329 3.103 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235487 543498114 /nfs/dbraw/zinc/49/81/14/543498114.db2.gz UUGNCTFOVFEDDY-KRWDZBQOSA-N 2 2 299.418 3.346 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000678235487 543498117 /nfs/dbraw/zinc/49/81/17/543498117.db2.gz UUGNCTFOVFEDDY-KRWDZBQOSA-N 2 2 299.418 3.346 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678235218 543498735 /nfs/dbraw/zinc/49/87/35/543498735.db2.gz PNKLIWOHYXWNBT-IJEWVQPXSA-N 2 2 285.391 3.437 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678235218 543498737 /nfs/dbraw/zinc/49/87/37/543498737.db2.gz PNKLIWOHYXWNBT-IJEWVQPXSA-N 2 2 285.391 3.437 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nccc3ccccc32)CC[N@@H+]1C ZINC000678277533 543509934 /nfs/dbraw/zinc/50/99/34/543509934.db2.gz AGRNZRBEFUZBFW-HOCLYGCPSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nccc3ccccc32)CC[N@H+]1C ZINC000678277533 543509936 /nfs/dbraw/zinc/50/99/36/543509936.db2.gz AGRNZRBEFUZBFW-HOCLYGCPSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277533 543509937 /nfs/dbraw/zinc/50/99/37/543509937.db2.gz AGRNZRBEFUZBFW-HOCLYGCPSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2nccc3ccccc32)CC[NH+]1C ZINC000678277533 543509939 /nfs/dbraw/zinc/50/99/39/543509939.db2.gz AGRNZRBEFUZBFW-HOCLYGCPSA-N 2 2 283.419 3.149 20 0 CGADLP CC(C)OC1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000678303373 543513651 /nfs/dbraw/zinc/51/36/51/543513651.db2.gz SUTXDCIOLAOCQD-UHFFFAOYSA-N 2 2 287.407 3.160 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000678927383 543572006 /nfs/dbraw/zinc/57/20/06/543572006.db2.gz IQLYTBPAGLKUJI-WMZOPIPTSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000678927383 543572009 /nfs/dbraw/zinc/57/20/09/543572009.db2.gz IQLYTBPAGLKUJI-WMZOPIPTSA-N 2 2 288.410 3.277 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425328408 292213922 /nfs/dbraw/zinc/21/39/22/292213922.db2.gz QZOJVTCOMFQLSD-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425328408 292213923 /nfs/dbraw/zinc/21/39/23/292213923.db2.gz QZOJVTCOMFQLSD-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP C[C@@H]([NH2+]C1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186327616 287014309 /nfs/dbraw/zinc/01/43/09/287014309.db2.gz AAXPTDHWUGLQAK-CJNGLKHVSA-N 2 2 278.465 3.163 20 0 CGADLP CC1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072827300 165073539 /nfs/dbraw/zinc/07/35/39/165073539.db2.gz KMRDOHCRUPZSQR-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP CC1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072827300 165073544 /nfs/dbraw/zinc/07/35/44/165073544.db2.gz KMRDOHCRUPZSQR-UHFFFAOYSA-N 2 2 255.365 3.104 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000089108690 165198244 /nfs/dbraw/zinc/19/82/44/165198244.db2.gz OVRYQXAMCHJZLZ-HIFRSBDPSA-N 2 2 255.365 3.164 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[N@@H+]1C ZINC000090721306 287105064 /nfs/dbraw/zinc/10/50/64/287105064.db2.gz YSJXQBZDZMEKTA-TZMCWYRMSA-N 2 2 258.365 3.005 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CC[N@H+]1C ZINC000090721306 287105067 /nfs/dbraw/zinc/10/50/67/287105067.db2.gz YSJXQBZDZMEKTA-TZMCWYRMSA-N 2 2 258.365 3.005 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1nccs1)C(C)C ZINC000091731961 165269878 /nfs/dbraw/zinc/26/98/78/165269878.db2.gz AHRWUTJSSKFUMO-ZDUSSCGKSA-N 2 2 269.458 3.303 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960107 165276370 /nfs/dbraw/zinc/27/63/70/165276370.db2.gz ACQQCYOKOVTECP-OCCSQVGLSA-N 2 2 261.394 3.028 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960107 165276371 /nfs/dbraw/zinc/27/63/71/165276371.db2.gz ACQQCYOKOVTECP-OCCSQVGLSA-N 2 2 261.394 3.028 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091960118 165276985 /nfs/dbraw/zinc/27/69/85/165276985.db2.gz CGNHUQDGQJUQLA-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000091960118 165276990 /nfs/dbraw/zinc/27/69/90/165276990.db2.gz CGNHUQDGQJUQLA-SWLSCSKDSA-N 2 2 275.421 3.336 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000430748789 287107748 /nfs/dbraw/zinc/10/77/48/287107748.db2.gz GFQGNVLGZXXRBQ-XGUBFFRZSA-N 2 2 261.413 3.002 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000092588070 165301135 /nfs/dbraw/zinc/30/11/35/165301135.db2.gz ROZWEWBEKXEYIA-DLBZAZTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000092588070 165301138 /nfs/dbraw/zinc/30/11/38/165301138.db2.gz ROZWEWBEKXEYIA-DLBZAZTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000092588070 165301139 /nfs/dbraw/zinc/30/11/39/165301139.db2.gz ROZWEWBEKXEYIA-DLBZAZTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000092588070 165301141 /nfs/dbraw/zinc/30/11/41/165301141.db2.gz ROZWEWBEKXEYIA-DLBZAZTESA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000094797571 165391778 /nfs/dbraw/zinc/39/17/78/165391778.db2.gz DTSOPNDMEAKMOR-RHSMWYFYSA-N 2 2 285.391 3.092 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000284310312 196027981 /nfs/dbraw/zinc/02/79/81/196027981.db2.gz LGURCDFNRNUEAD-SFHVURJKSA-N 2 2 283.419 3.193 20 0 CGADLP CSc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020127017 171011540 /nfs/dbraw/zinc/01/15/40/171011540.db2.gz ORZMUHPERMDTKK-ZDUSSCGKSA-N 2 2 264.438 3.155 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccco1 ZINC000020186685 171050546 /nfs/dbraw/zinc/05/05/46/171050546.db2.gz QJOXOKNMZVJTPL-GFCCVEGCSA-N 2 2 269.348 3.289 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000020189096 171055076 /nfs/dbraw/zinc/05/50/76/171055076.db2.gz OVPPVEWLVFGAQI-LBPRGKRZSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000020506233 171228385 /nfs/dbraw/zinc/22/83/85/171228385.db2.gz LTJLSAROPJVQDS-NUVRTYOOSA-N 2 2 287.451 3.468 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035258958 172090973 /nfs/dbraw/zinc/09/09/73/172090973.db2.gz NFEGQTUSPYGAEX-HZPDHXFCSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@@H+]1C ZINC000285144907 196206830 /nfs/dbraw/zinc/20/68/30/196206830.db2.gz TVBDCYZGEGFBAO-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)CC[N@H+]1C ZINC000285144907 196206831 /nfs/dbraw/zinc/20/68/31/196206831.db2.gz TVBDCYZGEGFBAO-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144907 196206833 /nfs/dbraw/zinc/20/68/33/196206833.db2.gz TVBDCYZGEGFBAO-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC[NH+]1C ZINC000285144907 196206835 /nfs/dbraw/zinc/20/68/35/196206835.db2.gz TVBDCYZGEGFBAO-PBHICJAKSA-N 2 2 299.418 3.256 20 0 CGADLP C[C@H]([NH2+]CCc1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035661468 172339819 /nfs/dbraw/zinc/33/98/19/172339819.db2.gz OHXYMWOIQIGGGI-AWEZNQCLSA-N 2 2 281.359 3.359 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000037249353 173062134 /nfs/dbraw/zinc/06/21/34/173062134.db2.gz KKXGLXOAPAFTPD-KRWDZBQOSA-N 2 2 285.391 3.023 20 0 CGADLP C[C@H]([NH2+]CCCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000285736462 196383625 /nfs/dbraw/zinc/38/36/25/196383625.db2.gz USFZMLSPRXTJLD-ZDUSSCGKSA-N 2 2 261.344 3.273 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000038029032 174018026 /nfs/dbraw/zinc/01/80/26/174018026.db2.gz QVEBOQUEHHBRSJ-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000038040565 174041053 /nfs/dbraw/zinc/04/10/53/174041053.db2.gz TZVCLSLHKXXLNH-SECBINFHSA-N 2 2 273.207 3.396 20 0 CGADLP c1cnc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2c1 ZINC000127725678 287294619 /nfs/dbraw/zinc/29/46/19/287294619.db2.gz QTKIRCSNAIGXNS-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043325737 175007535 /nfs/dbraw/zinc/00/75/35/175007535.db2.gz YCFVQNWTSXVRSH-KGLIPLIRSA-N 2 2 252.789 3.133 20 0 CGADLP CC[N@H+](CC[NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000127842302 287297304 /nfs/dbraw/zinc/29/73/04/287297304.db2.gz ZNGAGQMQHFKVHZ-CYBMUJFWSA-N 2 2 264.388 3.003 20 0 CGADLP CC[N@@H+](CC[NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000127842302 287297307 /nfs/dbraw/zinc/29/73/07/287297307.db2.gz ZNGAGQMQHFKVHZ-CYBMUJFWSA-N 2 2 264.388 3.003 20 0 CGADLP CCC[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000071314632 176121196 /nfs/dbraw/zinc/12/11/96/176121196.db2.gz GUOOUQJKAZCGLG-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP CCC[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000071314632 176121198 /nfs/dbraw/zinc/12/11/98/176121198.db2.gz GUOOUQJKAZCGLG-AWEZNQCLSA-N 2 2 297.240 3.023 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128621186 287314759 /nfs/dbraw/zinc/31/47/59/287314759.db2.gz ASOVYEWNSIEREN-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128621186 287314761 /nfs/dbraw/zinc/31/47/61/287314761.db2.gz ASOVYEWNSIEREN-SOUVJXGZSA-N 2 2 288.435 3.279 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800008 416533514 /nfs/dbraw/zinc/53/35/14/416533514.db2.gz RGTFNLWCXWWSMY-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800008 416533520 /nfs/dbraw/zinc/53/35/20/416533520.db2.gz RGTFNLWCXWWSMY-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800008 416533522 /nfs/dbraw/zinc/53/35/22/416533522.db2.gz RGTFNLWCXWWSMY-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000312800008 416533527 /nfs/dbraw/zinc/53/35/27/416533527.db2.gz RGTFNLWCXWWSMY-CJNGLKHVSA-N 2 2 298.858 3.034 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c(C)s1 ZINC000401726531 416546855 /nfs/dbraw/zinc/54/68/55/416546855.db2.gz QUDVFLDALUGNFB-CDMKHQONSA-N 2 2 252.427 3.014 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122716211 416505992 /nfs/dbraw/zinc/50/59/92/416505992.db2.gz XTAHJVSDSRGDRM-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000122716211 416505995 /nfs/dbraw/zinc/50/59/95/416505995.db2.gz XTAHJVSDSRGDRM-HZMBPMFUSA-N 2 2 270.779 3.038 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+]C[C@H]2CC=CCC2)[nH+]1 ZINC000128565721 416512819 /nfs/dbraw/zinc/51/28/19/416512819.db2.gz VPTCDAPUSUBGTO-KRWDZBQOSA-N 2 2 295.430 3.420 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)[C@@H](C)C2 ZINC000679342012 543622283 /nfs/dbraw/zinc/62/22/83/543622283.db2.gz RDSXDLBYEBQKSF-POZUXBRTSA-N 2 2 284.447 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)[C@@H](C)C2 ZINC000679342012 543622286 /nfs/dbraw/zinc/62/22/86/543622286.db2.gz RDSXDLBYEBQKSF-POZUXBRTSA-N 2 2 284.447 3.302 20 0 CGADLP C[C@@H](CCCCO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000679345751 543623420 /nfs/dbraw/zinc/62/34/20/543623420.db2.gz PFJZODVHRFSMLE-GJZGRUSLSA-N 2 2 287.407 3.074 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364817 543629532 /nfs/dbraw/zinc/62/95/32/543629532.db2.gz OOCTXJWFMDSZIA-YJBOKZPZSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364817 543629536 /nfs/dbraw/zinc/62/95/36/543629536.db2.gz OOCTXJWFMDSZIA-YJBOKZPZSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364817 543629538 /nfs/dbraw/zinc/62/95/38/543629538.db2.gz OOCTXJWFMDSZIA-YJBOKZPZSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3C3CC3)[C@H]2C1 ZINC000679364817 543629541 /nfs/dbraw/zinc/62/95/41/543629541.db2.gz OOCTXJWFMDSZIA-YJBOKZPZSA-N 2 2 270.420 3.090 20 0 CGADLP C(=C\[C@H]1CCC[N@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000679545407 543644662 /nfs/dbraw/zinc/64/46/62/543644662.db2.gz MYTMQCWXAREHSM-XZVRFQMRSA-N 2 2 267.376 3.061 20 0 CGADLP C(=C\[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1)\c1ccccc1 ZINC000679545407 543644664 /nfs/dbraw/zinc/64/46/64/543644664.db2.gz MYTMQCWXAREHSM-XZVRFQMRSA-N 2 2 267.376 3.061 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681366947 543783641 /nfs/dbraw/zinc/78/36/41/543783641.db2.gz ITRNCSOGLGYUKR-UAGQMJEPSA-N 2 2 262.441 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681366947 543783645 /nfs/dbraw/zinc/78/36/45/543783645.db2.gz ITRNCSOGLGYUKR-UAGQMJEPSA-N 2 2 262.441 3.053 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069064 543819780 /nfs/dbraw/zinc/81/97/80/543819780.db2.gz JMPXBYHOTFQXHX-RDJZCZTQSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069064 543819782 /nfs/dbraw/zinc/81/97/82/543819782.db2.gz JMPXBYHOTFQXHX-RDJZCZTQSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682083619 543824347 /nfs/dbraw/zinc/82/43/47/543824347.db2.gz KARWMUKVMAZCSW-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682083619 543824350 /nfs/dbraw/zinc/82/43/50/543824350.db2.gz KARWMUKVMAZCSW-QGZVFWFLSA-N 2 2 269.392 3.283 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154182 543830630 /nfs/dbraw/zinc/83/06/30/543830630.db2.gz YNZFYQGEQXOQDV-PBHICJAKSA-N 2 2 287.382 3.463 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154182 543830632 /nfs/dbraw/zinc/83/06/32/543830632.db2.gz YNZFYQGEQXOQDV-PBHICJAKSA-N 2 2 287.382 3.463 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131039810 287369141 /nfs/dbraw/zinc/36/91/41/287369141.db2.gz WQNSFJVVHRGQMG-GOEBONIOSA-N 2 2 260.425 3.080 20 0 CGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131039810 287369142 /nfs/dbraw/zinc/36/91/42/287369142.db2.gz WQNSFJVVHRGQMG-GOEBONIOSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000682640720 543855103 /nfs/dbraw/zinc/85/51/03/543855103.db2.gz NAYJQCYTOBFLFU-KNXWPPODSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000682640720 543855107 /nfs/dbraw/zinc/85/51/07/543855107.db2.gz NAYJQCYTOBFLFU-KNXWPPODSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000682788711 543869645 /nfs/dbraw/zinc/86/96/45/543869645.db2.gz WIEHEBWHEHOLQL-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000682788711 543869648 /nfs/dbraw/zinc/86/96/48/543869648.db2.gz WIEHEBWHEHOLQL-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCc4occc43)[nH+]c12 ZINC000683690261 543932087 /nfs/dbraw/zinc/93/20/87/543932087.db2.gz FDJFIPDQJUUGTF-MRXNPFEDSA-N 2 2 295.386 3.445 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000683939751 543956642 /nfs/dbraw/zinc/95/66/42/543956642.db2.gz LBNXPEYHTPWBBW-INIZCTEOSA-N 2 2 283.419 3.482 20 0 CGADLP COC1CC[NH+](CC[NH2+]CC[C@@H](C)CCC=C(C)C)CC1 ZINC000684614305 544019907 /nfs/dbraw/zinc/01/99/07/544019907.db2.gz UPQLFBCGZRBQQT-KRWDZBQOSA-N 2 2 296.499 3.459 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000684376649 543988333 /nfs/dbraw/zinc/98/83/33/543988333.db2.gz MKRRLZJXJIQMBR-IKGGRYGDSA-N 2 2 264.457 3.275 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000684376649 543988335 /nfs/dbraw/zinc/98/83/35/543988335.db2.gz MKRRLZJXJIQMBR-IKGGRYGDSA-N 2 2 264.457 3.275 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC(c3cccnc3)CC2)[nH+]1 ZINC000685455862 544073164 /nfs/dbraw/zinc/07/31/64/544073164.db2.gz BUBZKTWSVQKADO-UHFFFAOYSA-N 2 2 292.386 3.109 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000684954310 544043330 /nfs/dbraw/zinc/04/33/30/544043330.db2.gz YTDDAWGHMNXGBO-IKGGRYGDSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000684954310 544043333 /nfs/dbraw/zinc/04/33/33/544043333.db2.gz YTDDAWGHMNXGBO-IKGGRYGDSA-N 2 2 287.451 3.100 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664002 544094270 /nfs/dbraw/zinc/09/42/70/544094270.db2.gz MBKJKRRPZSWWGF-VYDXJSESSA-N 2 2 290.451 3.053 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685664002 544094274 /nfs/dbraw/zinc/09/42/74/544094274.db2.gz MBKJKRRPZSWWGF-VYDXJSESSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC([C@@H]3CCCO3)CC2)c[nH+]1 ZINC000354930194 227244493 /nfs/dbraw/zinc/24/44/93/227244493.db2.gz WXPCKPCOESQEGB-SFHVURJKSA-N 2 2 288.435 3.214 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658339268 418943221 /nfs/dbraw/zinc/94/32/21/418943221.db2.gz PTTMASKQEZOQRU-FRRDWIJNSA-N 2 2 274.399 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CC(F)(F)C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658339268 418943222 /nfs/dbraw/zinc/94/32/22/418943222.db2.gz PTTMASKQEZOQRU-FRRDWIJNSA-N 2 2 274.399 3.130 20 0 CGADLP c1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)onc1C1CC1 ZINC000659943265 419039018 /nfs/dbraw/zinc/03/90/18/419039018.db2.gz ABRWUGRLEQILQA-HNNXBMFYSA-N 2 2 289.423 3.002 20 0 CGADLP c1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)onc1C1CC1 ZINC000659943265 419039021 /nfs/dbraw/zinc/03/90/21/419039021.db2.gz ABRWUGRLEQILQA-HNNXBMFYSA-N 2 2 289.423 3.002 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653558695 419047514 /nfs/dbraw/zinc/04/75/14/419047514.db2.gz PEQSBVIWJOGJAT-ZDUSSCGKSA-N 2 2 287.382 3.111 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653558405 419048775 /nfs/dbraw/zinc/04/87/75/419048775.db2.gz AGVJDKBZNOWRFM-ZDUSSCGKSA-N 2 2 287.382 3.111 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653558405 419048776 /nfs/dbraw/zinc/04/87/76/419048776.db2.gz AGVJDKBZNOWRFM-ZDUSSCGKSA-N 2 2 287.382 3.111 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000653777250 419083562 /nfs/dbraw/zinc/08/35/62/419083562.db2.gz YPXAKCQMGCMXQJ-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000653777250 419083565 /nfs/dbraw/zinc/08/35/65/419083565.db2.gz YPXAKCQMGCMXQJ-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000665229467 419085890 /nfs/dbraw/zinc/08/58/90/419085890.db2.gz ZBGJEDPNMMNULC-NOZJJQNGSA-N 2 2 273.207 3.224 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665236718 419088672 /nfs/dbraw/zinc/08/86/72/419088672.db2.gz SKKKFGVQLUYCHG-SOUVJXGZSA-N 2 2 274.408 3.112 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CCCC1 ZINC000665247411 419090477 /nfs/dbraw/zinc/09/04/77/419090477.db2.gz BCUDMRQHHRUAMU-KRWDZBQOSA-N 2 2 299.393 3.171 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccoc1 ZINC000665251193 419093734 /nfs/dbraw/zinc/09/37/34/419093734.db2.gz JTLBFGPGRVZECT-KBRIMQKVSA-N 2 2 270.376 3.076 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccnc1 ZINC000665254536 419094471 /nfs/dbraw/zinc/09/44/71/419094471.db2.gz SSCRYLDBTYXUNM-FSPWUOQZSA-N 2 2 299.393 3.017 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cs1 ZINC000655859410 419124639 /nfs/dbraw/zinc/12/46/39/419124639.db2.gz KEFFVBFAQNPQEB-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cs1 ZINC000655859410 419124643 /nfs/dbraw/zinc/12/46/43/419124643.db2.gz KEFFVBFAQNPQEB-HUUCEWRRSA-N 2 2 264.438 3.163 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1OC ZINC000665277844 419099361 /nfs/dbraw/zinc/09/93/61/419099361.db2.gz NJAQWPDSDRAPCS-OFWKBQFLSA-N 2 2 294.826 3.141 20 0 CGADLP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)c(F)c1 ZINC000665278654 419099771 /nfs/dbraw/zinc/09/97/71/419099771.db2.gz LHTAOHDMGRFLIG-AJQRCPHMSA-N 2 2 280.362 3.004 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000655801254 419100557 /nfs/dbraw/zinc/10/05/57/419100557.db2.gz UXGUEPTYKRYYAM-CSMYWGQOSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1F ZINC000655801254 419100559 /nfs/dbraw/zinc/10/05/59/419100559.db2.gz UXGUEPTYKRYYAM-CSMYWGQOSA-N 2 2 276.399 3.349 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C3CC3)[C@@H]3CCCCO3)n2c1 ZINC000655811107 419102874 /nfs/dbraw/zinc/10/28/74/419102874.db2.gz HYMZCNFGQOUPOX-FUHWJXTLSA-N 2 2 299.418 3.080 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH2+]C ZINC000665295769 419108427 /nfs/dbraw/zinc/10/84/27/419108427.db2.gz ISSBMGDBEQSWGN-WCQYABFASA-N 2 2 286.872 3.408 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000665296372 419109250 /nfs/dbraw/zinc/10/92/50/419109250.db2.gz RWCIDUSYXYAFNZ-YGRLFVJLSA-N 2 2 297.240 3.024 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000665297416 419111140 /nfs/dbraw/zinc/11/11/40/419111140.db2.gz FPAJGRUDTBUVJK-PBHICJAKSA-N 2 2 260.425 3.424 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc2ccccc21 ZINC000665297644 419111159 /nfs/dbraw/zinc/11/11/59/419111159.db2.gz JDXJPZLDCVLQHI-CXAGYDPISA-N 2 2 256.393 3.488 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848415 419118736 /nfs/dbraw/zinc/11/87/36/419118736.db2.gz FCTHZAZGEFDOGA-NXOAAHMSSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848415 419118738 /nfs/dbraw/zinc/11/87/38/419118738.db2.gz FCTHZAZGEFDOGA-NXOAAHMSSA-N 2 2 262.441 3.172 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847438 419119364 /nfs/dbraw/zinc/11/93/64/419119364.db2.gz BNIGEALPVHSEGG-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847438 419119367 /nfs/dbraw/zinc/11/93/67/419119367.db2.gz BNIGEALPVHSEGG-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849387 419119695 /nfs/dbraw/zinc/11/96/95/419119695.db2.gz UTFKLQFSGBOXLK-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849387 419119699 /nfs/dbraw/zinc/11/96/99/419119699.db2.gz UTFKLQFSGBOXLK-BZSNNMDCSA-N 2 2 288.410 3.420 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855607 419122714 /nfs/dbraw/zinc/12/27/14/419122714.db2.gz IFNVDUGWETVAOX-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855607 419122717 /nfs/dbraw/zinc/12/27/17/419122717.db2.gz IFNVDUGWETVAOX-IRXDYDNUSA-N 2 2 276.399 3.241 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655855931 419123464 /nfs/dbraw/zinc/12/34/64/419123464.db2.gz JCBHUNLAGGDTPM-JKSUJKDBSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655855931 419123467 /nfs/dbraw/zinc/12/34/67/419123467.db2.gz JCBHUNLAGGDTPM-JKSUJKDBSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000655706225 419072119 /nfs/dbraw/zinc/07/21/19/419072119.db2.gz JFWNFRBZYQPWJR-DZGCQCFKSA-N 2 2 287.432 3.246 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654528 419176561 /nfs/dbraw/zinc/17/65/61/419176561.db2.gz GXHWIBVUGYYDQP-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654528 419176564 /nfs/dbraw/zinc/17/65/64/419176564.db2.gz GXHWIBVUGYYDQP-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654528 419176567 /nfs/dbraw/zinc/17/65/67/419176567.db2.gz GXHWIBVUGYYDQP-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654528 419176570 /nfs/dbraw/zinc/17/65/70/419176570.db2.gz GXHWIBVUGYYDQP-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP CC1(c2ccccc2)CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000656603205 419186006 /nfs/dbraw/zinc/18/60/06/419186006.db2.gz JTKKGABZHKLQJY-UHFFFAOYSA-N 2 2 295.430 3.429 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1 ZINC000666088585 419189375 /nfs/dbraw/zinc/18/93/75/419189375.db2.gz BRKMYERRROAMKH-HOCLYGCPSA-N 2 2 288.435 3.139 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1 ZINC000666088585 419189377 /nfs/dbraw/zinc/18/93/77/419189377.db2.gz BRKMYERRROAMKH-HOCLYGCPSA-N 2 2 288.435 3.139 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@@H]3CCCC[C@H]3C1)CCC2 ZINC000657297115 419245461 /nfs/dbraw/zinc/24/54/61/419245461.db2.gz LJFTYDADHRZBGW-SOUVJXGZSA-N 2 2 273.424 3.278 20 0 CGADLP COCC[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442869402 292624338 /nfs/dbraw/zinc/62/43/38/292624338.db2.gz PQMUVICGLFMXFX-MRXNPFEDSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CCCc3ccccc32)n1C ZINC000657365964 419261551 /nfs/dbraw/zinc/26/15/51/419261551.db2.gz LDSULVBXGQGTAG-KRWDZBQOSA-N 2 2 269.392 3.070 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1F ZINC000656677845 419199384 /nfs/dbraw/zinc/19/93/84/419199384.db2.gz VQEGUUIEDINKNN-STQMWFEESA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1F ZINC000656677845 419199387 /nfs/dbraw/zinc/19/93/87/419199387.db2.gz VQEGUUIEDINKNN-STQMWFEESA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228159 419200361 /nfs/dbraw/zinc/20/03/61/419200361.db2.gz NOCKRUSVGJTFJF-IMJJTQAJSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(F)F ZINC000666228159 419200363 /nfs/dbraw/zinc/20/03/63/419200363.db2.gz NOCKRUSVGJTFJF-IMJJTQAJSA-N 2 2 294.389 3.284 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1[nH+]ccn1Cc1ccccc1 ZINC000656774733 419215169 /nfs/dbraw/zinc/21/51/69/419215169.db2.gz AWWFTLDMSIANTJ-UHFFFAOYSA-N 2 2 295.390 3.321 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)[NH3+] ZINC000656782810 419217725 /nfs/dbraw/zinc/21/77/25/419217725.db2.gz KAJYSGROLBYHIW-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CC(C)(C)[NH3+] ZINC000656782810 419217727 /nfs/dbraw/zinc/21/77/27/419217727.db2.gz KAJYSGROLBYHIW-UHFFFAOYSA-N 2 2 278.293 3.014 20 0 CGADLP CCc1cccc2cc(C[NH2+]CCC[NH+](C)C)oc21 ZINC000657287820 419242924 /nfs/dbraw/zinc/24/29/24/419242924.db2.gz YCEDFQISKRCEHI-UHFFFAOYSA-N 2 2 260.381 3.037 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644907 419318214 /nfs/dbraw/zinc/31/82/14/419318214.db2.gz GOBNICZLYXGZRL-GOEBONIOSA-N 2 2 278.415 3.235 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000657644907 419318216 /nfs/dbraw/zinc/31/82/16/419318216.db2.gz GOBNICZLYXGZRL-GOEBONIOSA-N 2 2 278.415 3.235 20 0 CGADLP CC1(C)CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657418940 419274290 /nfs/dbraw/zinc/27/42/90/419274290.db2.gz GTWOZBZCHLXWOF-UHFFFAOYSA-N 2 2 261.413 3.135 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCCC13CCCC3)CCC2 ZINC000657472022 419286309 /nfs/dbraw/zinc/28/63/09/419286309.db2.gz GABFZUQABHYMCZ-HNNXBMFYSA-N 2 2 273.424 3.422 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000657525132 419297852 /nfs/dbraw/zinc/29/78/52/419297852.db2.gz TWPCZSDAJSLKEV-CQSZACIVSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000657525132 419297854 /nfs/dbraw/zinc/29/78/54/419297854.db2.gz TWPCZSDAJSLKEV-CQSZACIVSA-N 2 2 266.816 3.302 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccn1 ZINC000657536073 419301516 /nfs/dbraw/zinc/30/15/16/419301516.db2.gz SQUWOEARQZLZSQ-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(F)F ZINC000657665914 419323597 /nfs/dbraw/zinc/32/35/97/419323597.db2.gz PWQVXLQRCQKGFD-GFCCVEGCSA-N 2 2 283.347 3.069 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCc4ccc(O)cc43)n2c1 ZINC000657692761 419328469 /nfs/dbraw/zinc/32/84/69/419328469.db2.gz DADLYIBTEGWIME-KRWDZBQOSA-N 2 2 293.370 3.125 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000657656634 419320141 /nfs/dbraw/zinc/32/01/41/419320141.db2.gz QRABNVUBQLKJEU-XYJFISCASA-N 2 2 281.403 3.398 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000657742077 419335552 /nfs/dbraw/zinc/33/55/52/419335552.db2.gz MPIWTBUHXIQLCQ-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000657742077 419335554 /nfs/dbraw/zinc/33/55/54/419335554.db2.gz MPIWTBUHXIQLCQ-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c3ncccc3c2)C1 ZINC000657742525 419335616 /nfs/dbraw/zinc/33/56/16/419335616.db2.gz SDYGQTHTHLALNP-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c3ncccc3c2)C1 ZINC000657742525 419335618 /nfs/dbraw/zinc/33/56/18/419335618.db2.gz SDYGQTHTHLALNP-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000657757795 419337700 /nfs/dbraw/zinc/33/77/00/419337700.db2.gz WGGVDGTTYZWCJH-AWEZNQCLSA-N 2 2 292.389 3.427 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657822280 419373263 /nfs/dbraw/zinc/37/32/63/419373263.db2.gz YGVRSVUSJVOTPS-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657822280 419373269 /nfs/dbraw/zinc/37/32/69/419373269.db2.gz YGVRSVUSJVOTPS-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657836331 419382312 /nfs/dbraw/zinc/38/23/12/419382312.db2.gz KMCWNKWSKSMKLK-NWDGAFQWSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)(C)C(F)F ZINC000657836331 419382315 /nfs/dbraw/zinc/38/23/15/419382315.db2.gz KMCWNKWSKSMKLK-NWDGAFQWSA-N 2 2 262.388 3.130 20 0 CGADLP C[N@H+](CCSc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000662294227 419384145 /nfs/dbraw/zinc/38/41/45/419384145.db2.gz JRXDGVYABPGJLV-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP C[N@@H+](CCSc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000662294227 419384155 /nfs/dbraw/zinc/38/41/55/419384155.db2.gz JRXDGVYABPGJLV-UHFFFAOYSA-N 2 2 272.845 3.101 20 0 CGADLP Cc1cc(NC(=O)CC2([NH3+])CC2)ccc1Oc1cc[nH+]cc1 ZINC000662803953 419494199 /nfs/dbraw/zinc/49/41/99/419494199.db2.gz AAOBHGMPCGTJAQ-UHFFFAOYSA-N 2 2 297.358 3.002 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902493 419427524 /nfs/dbraw/zinc/42/75/24/419427524.db2.gz MSMNFWWOVDFZHJ-MDZLAQPJSA-N 2 2 295.377 3.295 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902493 419427532 /nfs/dbraw/zinc/42/75/32/419427532.db2.gz MSMNFWWOVDFZHJ-MDZLAQPJSA-N 2 2 295.377 3.295 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(C)n1 ZINC000658054683 419525371 /nfs/dbraw/zinc/52/53/71/419525371.db2.gz GAQDBQZSQOPIGJ-DZGCQCFKSA-N 2 2 275.440 3.222 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(C)n1 ZINC000658054683 419525379 /nfs/dbraw/zinc/52/53/79/419525379.db2.gz GAQDBQZSQOPIGJ-DZGCQCFKSA-N 2 2 275.440 3.222 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000658060292 419531863 /nfs/dbraw/zinc/53/18/63/419531863.db2.gz LREPLAOZLRDDCR-GJZGRUSLSA-N 2 2 282.472 3.187 20 0 CGADLP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000658060292 419531871 /nfs/dbraw/zinc/53/18/71/419531871.db2.gz LREPLAOZLRDDCR-GJZGRUSLSA-N 2 2 282.472 3.187 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658060467 419532758 /nfs/dbraw/zinc/53/27/58/419532758.db2.gz ZRSZRVOETPBDBD-GXTWGEPZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658060467 419532760 /nfs/dbraw/zinc/53/27/60/419532760.db2.gz ZRSZRVOETPBDBD-GXTWGEPZSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058783 419532902 /nfs/dbraw/zinc/53/29/02/419532902.db2.gz UOXRHGUUZXBYKF-XHDPSFHLSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058783 419532908 /nfs/dbraw/zinc/53/29/08/419532908.db2.gz UOXRHGUUZXBYKF-XHDPSFHLSA-N 2 2 282.378 3.488 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000658059192 419532925 /nfs/dbraw/zinc/53/29/25/419532925.db2.gz VUMYVXLIMWPBOO-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000658059192 419532930 /nfs/dbraw/zinc/53/29/30/419532930.db2.gz VUMYVXLIMWPBOO-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000658062045 419535117 /nfs/dbraw/zinc/53/51/17/419535117.db2.gz RGXXLHNUOCPNMA-RBSFLKMASA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000658062045 419535124 /nfs/dbraw/zinc/53/51/24/419535124.db2.gz RGXXLHNUOCPNMA-RBSFLKMASA-N 2 2 270.436 3.367 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092637 419568096 /nfs/dbraw/zinc/56/80/96/419568096.db2.gz QYPCMPFSCVRSNC-KMFMINBZSA-N 2 2 272.436 3.382 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092637 419568099 /nfs/dbraw/zinc/56/80/99/419568099.db2.gz QYPCMPFSCVRSNC-KMFMINBZSA-N 2 2 272.436 3.382 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCCCn2cc[nH+]c2)[nH+]1 ZINC000663318680 419555089 /nfs/dbraw/zinc/55/50/89/419555089.db2.gz XTMHKXQWBUFBTQ-UHFFFAOYSA-N 2 2 284.285 3.108 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000663322738 419556990 /nfs/dbraw/zinc/55/69/90/419556990.db2.gz ZGZLWBSKMHQNBH-MRXNPFEDSA-N 2 2 269.392 3.111 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658088625 419557277 /nfs/dbraw/zinc/55/72/77/419557277.db2.gz DWXMGIKTHYVIGC-DEYYWGMASA-N 2 2 290.426 3.137 20 0 CGADLP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658088625 419557281 /nfs/dbraw/zinc/55/72/81/419557281.db2.gz DWXMGIKTHYVIGC-DEYYWGMASA-N 2 2 290.426 3.137 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658097181 419575266 /nfs/dbraw/zinc/57/52/66/419575266.db2.gz VQFRJZVWGWYWBA-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658097181 419575268 /nfs/dbraw/zinc/57/52/68/419575268.db2.gz VQFRJZVWGWYWBA-KGLIPLIRSA-N 2 2 250.430 3.172 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000663508509 419639279 /nfs/dbraw/zinc/63/92/79/419639279.db2.gz BSSSDYVNVSFMAH-AWEZNQCLSA-N 2 2 284.403 3.060 20 0 CGADLP C[NH+](C)C1(CNc2[nH+]ccc3c(N)cccc32)CCCC1 ZINC000663387329 419586503 /nfs/dbraw/zinc/58/65/03/419586503.db2.gz YRNJSURKQDGLHW-UHFFFAOYSA-N 2 2 284.407 3.103 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000658285371 419734781 /nfs/dbraw/zinc/73/47/81/419734781.db2.gz LBSIXORNYBRBGK-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000658285371 419734787 /nfs/dbraw/zinc/73/47/87/419734787.db2.gz LBSIXORNYBRBGK-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288616 419738468 /nfs/dbraw/zinc/73/84/68/419738468.db2.gz WOVZXQRCSSMMOS-HIFRSBDPSA-N 2 2 293.430 3.027 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000658288616 419738471 /nfs/dbraw/zinc/73/84/71/419738471.db2.gz WOVZXQRCSSMMOS-HIFRSBDPSA-N 2 2 293.430 3.027 20 0 CGADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](C2CCC2)CC1 ZINC000663981904 419784465 /nfs/dbraw/zinc/78/44/65/419784465.db2.gz IMQUWXDECXCGJT-UHFFFAOYSA-N 2 2 296.418 3.246 20 0 CGADLP CC(C)(C)c1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138162 419837192 /nfs/dbraw/zinc/83/71/92/419837192.db2.gz JYEGVKHDWUYMML-ZDUSSCGKSA-N 2 2 290.455 3.306 20 0 CGADLP CC(C)(C)c1nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138162 419837199 /nfs/dbraw/zinc/83/71/99/419837199.db2.gz JYEGVKHDWUYMML-ZDUSSCGKSA-N 2 2 290.455 3.306 20 0 CGADLP Cc1ncsc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071212626 260160430 /nfs/dbraw/zinc/16/04/30/260160430.db2.gz PAEHOYSQAACPCO-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020545174 262249248 /nfs/dbraw/zinc/24/92/48/262249248.db2.gz FSQULIZFSFDOHU-MRXNPFEDSA-N 2 2 290.451 3.468 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000040771890 270030498 /nfs/dbraw/zinc/03/04/98/270030498.db2.gz HKJKVVVDNAABII-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094581 270038076 /nfs/dbraw/zinc/03/80/76/270038076.db2.gz UZITUIWEKVIQDL-OAHLLOKOSA-N 2 2 287.407 3.331 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223015332 270086283 /nfs/dbraw/zinc/08/62/83/270086283.db2.gz MZMAXWNHTADWHF-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223015332 270086284 /nfs/dbraw/zinc/08/62/84/270086284.db2.gz MZMAXWNHTADWHF-XJKSGUPXSA-N 2 2 280.843 3.345 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C ZINC000321960133 270093471 /nfs/dbraw/zinc/09/34/71/270093471.db2.gz YMMMDZYBFJGSEX-BMFZPTHFSA-N 2 2 273.424 3.075 20 0 CGADLP CC[C@@](C)(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000322500153 270093547 /nfs/dbraw/zinc/09/35/47/270093547.db2.gz FURCLOGCGCVNNV-PBHICJAKSA-N 2 2 287.407 3.338 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000324889421 270094750 /nfs/dbraw/zinc/09/47/50/270094750.db2.gz FZLAQTFMKNTVOM-INWMFGNUSA-N 2 2 250.430 3.170 20 0 CGADLP CCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000324889421 270094751 /nfs/dbraw/zinc/09/47/51/270094751.db2.gz FZLAQTFMKNTVOM-INWMFGNUSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)co2)cc1 ZINC000521225576 270101161 /nfs/dbraw/zinc/10/11/61/270101161.db2.gz CYUPRLOBTOESDS-WMLDXEAASA-N 2 2 299.418 3.128 20 0 CGADLP CCCC1CCC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000524771223 270114817 /nfs/dbraw/zinc/11/48/17/270114817.db2.gz ZOXPGIKHXNFEPH-QQFBHYJXSA-N 2 2 252.446 3.277 20 0 CGADLP CCCC1CCC([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000524771223 270114818 /nfs/dbraw/zinc/11/48/18/270114818.db2.gz ZOXPGIKHXNFEPH-QQFBHYJXSA-N 2 2 252.446 3.277 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000527673775 270131154 /nfs/dbraw/zinc/13/11/54/270131154.db2.gz OMOOZPGFRYAEQA-WCQYABFASA-N 2 2 274.399 3.130 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000527673775 270131155 /nfs/dbraw/zinc/13/11/55/270131155.db2.gz OMOOZPGFRYAEQA-WCQYABFASA-N 2 2 274.399 3.130 20 0 CGADLP c1nc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2[nH]1 ZINC000527754365 270134382 /nfs/dbraw/zinc/13/43/82/270134382.db2.gz YYAGBXVBSWIBDG-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2[nH]1 ZINC000527754365 270134383 /nfs/dbraw/zinc/13/43/83/270134383.db2.gz YYAGBXVBSWIBDG-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)cc2[nH]1 ZINC000527754365 270134384 /nfs/dbraw/zinc/13/43/84/270134384.db2.gz YYAGBXVBSWIBDG-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)cc2[nH]1 ZINC000527754365 270134385 /nfs/dbraw/zinc/13/43/85/270134385.db2.gz YYAGBXVBSWIBDG-INIZCTEOSA-N 2 2 298.434 3.060 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC12CC2 ZINC000527844030 270139237 /nfs/dbraw/zinc/13/92/37/270139237.db2.gz GXQCVOWASZNORO-NUEKZKHPSA-N 2 2 258.409 3.068 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@@H+]1CCCC[C@@H]1C ZINC000527846416 270139627 /nfs/dbraw/zinc/13/96/27/270139627.db2.gz DXVKADOPYSBSDA-ZQDZILKHSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@H+]1CCCC[C@@H]1C ZINC000527846416 270139628 /nfs/dbraw/zinc/13/96/28/270139628.db2.gz DXVKADOPYSBSDA-ZQDZILKHSA-N 2 2 250.430 3.028 20 0 CGADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951972 270146331 /nfs/dbraw/zinc/14/63/31/270146331.db2.gz SEYFQPFAZWFLCU-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527951972 270146332 /nfs/dbraw/zinc/14/63/32/270146332.db2.gz SEYFQPFAZWFLCU-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCCC1 ZINC000527949102 270146387 /nfs/dbraw/zinc/14/63/87/270146387.db2.gz NZKNUFUWADPGSB-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000527949102 270146388 /nfs/dbraw/zinc/14/63/88/270146388.db2.gz NZKNUFUWADPGSB-NVXWUHKLSA-N 2 2 294.483 3.331 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952686 270146571 /nfs/dbraw/zinc/14/65/71/270146571.db2.gz VCFOVQNXALIBBU-SVGFKBNWSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952686 270146572 /nfs/dbraw/zinc/14/65/72/270146572.db2.gz VCFOVQNXALIBBU-SVGFKBNWSA-N 2 2 262.441 3.172 20 0 CGADLP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000528490355 270166504 /nfs/dbraw/zinc/16/65/04/270166504.db2.gz JZBKVCKJDTYCST-OFCDUSSDSA-N 2 2 264.800 3.164 20 0 CGADLP C/C(Cl)=C\C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000528490355 270166505 /nfs/dbraw/zinc/16/65/05/270166505.db2.gz JZBKVCKJDTYCST-OFCDUSSDSA-N 2 2 264.800 3.164 20 0 CGADLP C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000528421865 270165186 /nfs/dbraw/zinc/16/51/86/270165186.db2.gz BOIIQCWUEJTPFM-UKRRQHHQSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000528421865 270165187 /nfs/dbraw/zinc/16/51/87/270165187.db2.gz BOIIQCWUEJTPFM-UKRRQHHQSA-N 2 2 261.413 3.202 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529556249 270184624 /nfs/dbraw/zinc/18/46/24/270184624.db2.gz RNMLITFPYFQGSF-GFCCVEGCSA-N 2 2 274.399 3.132 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC(F)(F)C1 ZINC000529556249 270184625 /nfs/dbraw/zinc/18/46/25/270184625.db2.gz RNMLITFPYFQGSF-GFCCVEGCSA-N 2 2 274.399 3.132 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C(C)C)c1 ZINC000530221428 270196461 /nfs/dbraw/zinc/19/64/61/270196461.db2.gz FIONNENSHJJCEY-CGTJXYLNSA-N 2 2 290.451 3.049 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)F)c1 ZINC000530222091 270196566 /nfs/dbraw/zinc/19/65/66/270196566.db2.gz QFIISIGCSXAJCC-BXUZGUMPSA-N 2 2 296.361 3.223 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C)c1 ZINC000530215961 270195944 /nfs/dbraw/zinc/19/59/44/270195944.db2.gz LAGSKSICHLYYCK-JKSUJKDBSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ncccc1F ZINC000530222380 270196546 /nfs/dbraw/zinc/19/65/46/270196546.db2.gz JRFZAEITMLDEIY-QRTARXTBSA-N 2 2 299.393 3.365 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530219447 270196010 /nfs/dbraw/zinc/19/60/10/270196010.db2.gz LSXJKVDAKLGPJS-SJORKVTESA-N 2 2 270.420 3.247 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530218395 270196120 /nfs/dbraw/zinc/19/61/20/270196120.db2.gz IVZDYZRNMKDRJN-BXUZGUMPSA-N 2 2 264.438 3.246 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530226334 270196823 /nfs/dbraw/zinc/19/68/23/270196823.db2.gz ZXXBPJDSPGGQBV-CABCVRRESA-N 2 2 276.811 3.202 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530244430 270197393 /nfs/dbraw/zinc/19/73/93/270197393.db2.gz LJBDDHSAEOWXLH-MRXNPFEDSA-N 2 2 258.409 3.013 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)c1ccccc1 ZINC000531687666 270208597 /nfs/dbraw/zinc/20/85/97/270208597.db2.gz ZMCPTIQZUFGQTA-INIZCTEOSA-N 2 2 274.452 3.428 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531951760 270211336 /nfs/dbraw/zinc/21/13/36/270211336.db2.gz UJBCTZNAHQUABV-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000531951760 270211337 /nfs/dbraw/zinc/21/13/37/270211337.db2.gz UJBCTZNAHQUABV-IAQYHMDHSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531991939 270212255 /nfs/dbraw/zinc/21/22/55/270212255.db2.gz AGSDPAHKBXSFHL-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531991939 270212256 /nfs/dbraw/zinc/21/22/56/270212256.db2.gz AGSDPAHKBXSFHL-ZTFRIQLXSA-N 2 2 290.838 3.400 20 0 CGADLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000532532370 270217244 /nfs/dbraw/zinc/21/72/44/270217244.db2.gz AZPWXQZMWIQAIS-WBVHZDCISA-N 2 2 260.425 3.459 20 0 CGADLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000532532370 270217245 /nfs/dbraw/zinc/21/72/45/270217245.db2.gz AZPWXQZMWIQAIS-WBVHZDCISA-N 2 2 260.425 3.459 20 0 CGADLP CCOc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422738662 273709532 /nfs/dbraw/zinc/70/95/32/273709532.db2.gz JSGLNSWGGWBDEV-CRAIPNDOSA-N 2 2 298.430 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nccc2ccccc21 ZINC000377798703 274263611 /nfs/dbraw/zinc/26/36/11/274263611.db2.gz LSOPGXQUQREHQO-OCCSQVGLSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1nccc2ccccc21 ZINC000377798703 274263612 /nfs/dbraw/zinc/26/36/12/274263612.db2.gz LSOPGXQUQREHQO-OCCSQVGLSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000269046890 274342676 /nfs/dbraw/zinc/34/26/76/274342676.db2.gz YRNDBGRGJAOWCG-DFBGVHRSSA-N 2 2 276.449 3.198 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000269046890 274342679 /nfs/dbraw/zinc/34/26/79/274342679.db2.gz YRNDBGRGJAOWCG-DFBGVHRSSA-N 2 2 276.449 3.198 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000178310604 275860212 /nfs/dbraw/zinc/86/02/12/275860212.db2.gz XDGGKQPGQNSYMB-MRXNPFEDSA-N 2 2 258.409 3.094 20 0 CGADLP CCC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000070143321 276045017 /nfs/dbraw/zinc/04/50/17/276045017.db2.gz BXDMOVHCPXSGIO-INIZCTEOSA-N 2 2 286.423 3.117 20 0 CGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1CCC[NH+](CC)CC ZINC000339151742 276096153 /nfs/dbraw/zinc/09/61/53/276096153.db2.gz JLNLWNCRKIXHQR-INIZCTEOSA-N 2 2 292.471 3.162 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341757427 276174672 /nfs/dbraw/zinc/17/46/72/276174672.db2.gz JCRPOAOYKGDCCJ-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341757427 276174674 /nfs/dbraw/zinc/17/46/74/276174674.db2.gz JCRPOAOYKGDCCJ-NVXWUHKLSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000250207523 276175531 /nfs/dbraw/zinc/17/55/31/276175531.db2.gz CEUNYTAWEIIOBG-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000250207523 276175532 /nfs/dbraw/zinc/17/55/32/276175532.db2.gz CEUNYTAWEIIOBG-WBVHZDCISA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sccc1C ZINC000070089773 276187552 /nfs/dbraw/zinc/18/75/52/276187552.db2.gz UJGRFIKECRPFLS-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1sccc1C ZINC000070089773 276187550 /nfs/dbraw/zinc/18/75/50/276187550.db2.gz UJGRFIKECRPFLS-STQMWFEESA-N 2 2 252.427 3.191 20 0 CGADLP CC[NH+](CC)Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294046935 276335030 /nfs/dbraw/zinc/33/50/30/276335030.db2.gz JBVQJAMAQMDNFA-INIZCTEOSA-N 2 2 284.407 3.282 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)C ZINC000438075876 276801251 /nfs/dbraw/zinc/80/12/51/276801251.db2.gz IUFNAQGPMHRUOK-INIZCTEOSA-N 2 2 262.441 3.185 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000178064037 277209798 /nfs/dbraw/zinc/20/97/98/277209798.db2.gz UWDVSOADBHMDSF-FUHWJXTLSA-N 2 2 290.451 3.228 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc2ccccc21 ZINC000124293227 278172697 /nfs/dbraw/zinc/17/26/97/278172697.db2.gz NQDKLVYSGGYZQK-MRXNPFEDSA-N 2 2 298.430 3.040 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000423334696 278184504 /nfs/dbraw/zinc/18/45/04/278184504.db2.gz SJFZDGYORKSDIB-HTRCEHHLSA-N 2 2 279.236 3.369 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397634776 288025724 /nfs/dbraw/zinc/02/57/24/288025724.db2.gz WRHCXRYSIFCKEU-UAGQMJEPSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000397634776 288025726 /nfs/dbraw/zinc/02/57/26/288025726.db2.gz WRHCXRYSIFCKEU-UAGQMJEPSA-N 2 2 272.436 3.285 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000397752213 288029131 /nfs/dbraw/zinc/02/91/31/288029131.db2.gz DXZCEAUSZFZTMI-AWEZNQCLSA-N 2 2 264.800 3.011 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000397670325 288026993 /nfs/dbraw/zinc/02/69/93/288026993.db2.gz NLIYDOWDRCXEND-LHKMKVQPSA-N 2 2 270.420 3.038 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000397670325 288026995 /nfs/dbraw/zinc/02/69/95/288026995.db2.gz NLIYDOWDRCXEND-LHKMKVQPSA-N 2 2 270.420 3.038 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000422732167 278268253 /nfs/dbraw/zinc/26/82/53/278268253.db2.gz PHKGTEHLNQGNCX-YUMQZZPRSA-N 2 2 291.197 3.391 20 0 CGADLP C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000354017052 278277434 /nfs/dbraw/zinc/27/74/34/278277434.db2.gz GMKNKNICQYAROQ-HEHGZKQESA-N 2 2 287.432 3.274 20 0 CGADLP C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000397836319 288031931 /nfs/dbraw/zinc/03/19/31/288031931.db2.gz OTQKHUWGLABBKF-VNHYZAJKSA-N 2 2 287.432 3.417 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc2c(s1)CCCC2 ZINC000423236329 278354321 /nfs/dbraw/zinc/35/43/21/278354321.db2.gz ODGVRCAODYSTOK-DGCLKSJQSA-N 2 2 264.438 3.030 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422869878 278364973 /nfs/dbraw/zinc/36/49/73/278364973.db2.gz AWYYRLYVEGXVDF-HDMKZQKVSA-N 2 2 287.451 3.078 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000423123783 278376567 /nfs/dbraw/zinc/37/65/67/278376567.db2.gz NIVDVTJPNMUIOT-DVVUODLYSA-N 2 2 270.829 3.119 20 0 CGADLP C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000285652550 278379167 /nfs/dbraw/zinc/37/91/67/278379167.db2.gz SLNDQGSSZQPPLW-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285652550 278379168 /nfs/dbraw/zinc/37/91/68/278379168.db2.gz SLNDQGSSZQPPLW-RDJZCZTQSA-N 2 2 269.392 3.356 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000352868276 278508413 /nfs/dbraw/zinc/50/84/13/278508413.db2.gz CSFFZDMCQVYDSP-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414241174 533690835 /nfs/dbraw/zinc/69/08/35/533690835.db2.gz KVTDGEVMFPFJPS-UHFFFAOYSA-N 2 2 297.324 3.390 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000358388159 279014512 /nfs/dbraw/zinc/01/45/12/279014512.db2.gz BUWGOTSQMJSTNK-ZLHQLQKESA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000358388159 279014513 /nfs/dbraw/zinc/01/45/13/279014513.db2.gz BUWGOTSQMJSTNK-ZLHQLQKESA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423133745 279061731 /nfs/dbraw/zinc/06/17/31/279061731.db2.gz WFEBTPYIKQWQEB-DSFUJIIMSA-N 2 2 298.361 3.382 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019960409 279336155 /nfs/dbraw/zinc/33/61/55/279336155.db2.gz SVYLKMCSCRCSAV-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000019960409 279336159 /nfs/dbraw/zinc/33/61/59/279336159.db2.gz SVYLKMCSCRCSAV-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000400714409 279546321 /nfs/dbraw/zinc/54/63/21/279546321.db2.gz FIVAKQOOXTUFSE-BPNCWPANSA-N 2 2 280.412 3.093 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000422959520 279681574 /nfs/dbraw/zinc/68/15/74/279681574.db2.gz SKCCRFOSRYMOMO-ZACQAIPSSA-N 2 2 298.361 3.384 20 0 CGADLP C[C@@]1(C[NH2+]CC2(F)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000527233510 288159294 /nfs/dbraw/zinc/15/92/94/288159294.db2.gz OOYVVWFLDZTZNX-INIZCTEOSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@]1(C[NH2+]CC2(F)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000527233510 288159297 /nfs/dbraw/zinc/15/92/97/288159297.db2.gz OOYVVWFLDZTZNX-INIZCTEOSA-N 2 2 276.399 3.133 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnc(C)c1 ZINC000527631449 288177818 /nfs/dbraw/zinc/17/78/18/288177818.db2.gz LQAFHWZHQSBQIJ-UHFFFAOYSA-N 2 2 294.402 3.228 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000337287253 280009613 /nfs/dbraw/zinc/00/96/13/280009613.db2.gz KZKUQAYSSDPAGP-AAEUAGOBSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000337287253 280009617 /nfs/dbraw/zinc/00/96/17/280009617.db2.gz KZKUQAYSSDPAGP-AAEUAGOBSA-N 2 2 272.383 3.027 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000336102743 280424590 /nfs/dbraw/zinc/42/45/90/280424590.db2.gz MZRXUDJIEWNZMF-GDBMZVCRSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CC(F)(F)C1 ZINC000529537677 288260390 /nfs/dbraw/zinc/26/03/90/288260390.db2.gz HIOZWBMKNDUKCF-UPJWGTAASA-N 2 2 274.399 3.273 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423548120 281305572 /nfs/dbraw/zinc/30/55/72/281305572.db2.gz GQTSRFBVNUXYKE-IJEWVQPXSA-N 2 2 258.409 3.275 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353611939 281306414 /nfs/dbraw/zinc/30/64/14/281306414.db2.gz PRNHMDOKIFLVOU-DVOMOZLQSA-N 2 2 281.403 3.414 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353611939 281306417 /nfs/dbraw/zinc/30/64/17/281306417.db2.gz PRNHMDOKIFLVOU-DVOMOZLQSA-N 2 2 281.403 3.414 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)CCC2 ZINC000361747354 281552144 /nfs/dbraw/zinc/55/21/44/281552144.db2.gz ZPXLDJBWLLXAAJ-BFJAYTPKSA-N 2 2 275.440 3.483 20 0 CGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531713732 288342022 /nfs/dbraw/zinc/34/20/22/288342022.db2.gz NWXFUZQQWSVQOP-INIZCTEOSA-N 2 2 288.460 3.297 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532192823 288354167 /nfs/dbraw/zinc/35/41/67/288354167.db2.gz UIVSFBLEAGKERG-VYDXJSESSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000532192823 288354168 /nfs/dbraw/zinc/35/41/68/288354168.db2.gz UIVSFBLEAGKERG-VYDXJSESSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194804 288354444 /nfs/dbraw/zinc/35/44/44/288354444.db2.gz KZGDYAISUADISW-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000532194804 288354445 /nfs/dbraw/zinc/35/44/45/288354445.db2.gz KZGDYAISUADISW-DOMZBBRYSA-N 2 2 280.843 3.157 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000532202790 288355290 /nfs/dbraw/zinc/35/52/90/288355290.db2.gz GGEGXPXUJDIDGK-IBGZPJMESA-N 2 2 286.463 3.329 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532497572 288365516 /nfs/dbraw/zinc/36/55/16/288365516.db2.gz CGXOCEXYQXDISP-FXUDXRNXSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532497572 288365517 /nfs/dbraw/zinc/36/55/17/288365517.db2.gz CGXOCEXYQXDISP-FXUDXRNXSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867742 288396455 /nfs/dbraw/zinc/39/64/55/288396455.db2.gz WLJWEVIXDGEZPN-VXGBXAGGSA-N 2 2 291.345 3.249 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000423507767 288596027 /nfs/dbraw/zinc/59/60/27/288596027.db2.gz QJXJPOMGHMKZOR-UAGQMJEPSA-N 2 2 260.425 3.273 20 0 CGADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCCCCC1 ZINC000542472714 288753729 /nfs/dbraw/zinc/75/37/29/288753729.db2.gz AFVNXXHOSQFDEB-GOEBONIOSA-N 2 2 284.513 3.372 20 0 CGADLP Cc1ccc2[nH+]ccc(NCCc3ccc(C)[nH+]c3)c2c1 ZINC000545473366 288893978 /nfs/dbraw/zinc/89/39/78/288893978.db2.gz MKPQXVIFZCXANO-UHFFFAOYSA-N 2 2 277.371 3.323 20 0 CGADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000546885668 288942507 /nfs/dbraw/zinc/94/25/07/288942507.db2.gz SADPWBGRQNPXNH-NSHDSACASA-N 2 2 285.313 3.463 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115610 289035961 /nfs/dbraw/zinc/03/59/61/289035961.db2.gz LLPGGFYDHBWABH-UHFFFAOYSA-N 2 2 266.351 3.037 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000550886664 289088505 /nfs/dbraw/zinc/08/85/05/289088505.db2.gz PPJMOFVSKWWXMY-HZPDHXFCSA-N 2 2 250.430 3.195 20 0 CGADLP CC[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069990 289098137 /nfs/dbraw/zinc/09/81/37/289098137.db2.gz PPTBEXWLTZUVOA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000551069990 289098138 /nfs/dbraw/zinc/09/81/38/289098138.db2.gz PPTBEXWLTZUVOA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000551069990 289098139 /nfs/dbraw/zinc/09/81/39/289098139.db2.gz PPTBEXWLTZUVOA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP CC[C@@H]1CCC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000551069990 289098140 /nfs/dbraw/zinc/09/81/40/289098140.db2.gz PPTBEXWLTZUVOA-HZPDHXFCSA-N 2 2 252.446 3.371 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209412 289101903 /nfs/dbraw/zinc/10/19/03/289101903.db2.gz BLQLWOXCBPKQAS-GKEYINFOSA-N 2 2 288.410 3.144 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000551209412 289101905 /nfs/dbraw/zinc/10/19/05/289101905.db2.gz BLQLWOXCBPKQAS-GKEYINFOSA-N 2 2 288.410 3.144 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000551788235 289132130 /nfs/dbraw/zinc/13/21/30/289132130.db2.gz ACZBGKCEPJYXBX-DNVCBOLYSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000551788235 289132131 /nfs/dbraw/zinc/13/21/31/289132131.db2.gz ACZBGKCEPJYXBX-DNVCBOLYSA-N 2 2 286.463 3.248 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643825 289355619 /nfs/dbraw/zinc/35/56/19/289355619.db2.gz HRTZAUPNLKQPRI-JXFSHQFZSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000555643825 289355621 /nfs/dbraw/zinc/35/56/21/289355621.db2.gz HRTZAUPNLKQPRI-JXFSHQFZSA-N 2 2 278.827 3.126 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000558218184 289479050 /nfs/dbraw/zinc/47/90/50/289479050.db2.gz RZSQMGJAPKNYGX-GJZGRUSLSA-N 2 2 271.408 3.291 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000348332641 289521055 /nfs/dbraw/zinc/52/10/55/289521055.db2.gz MKHXAMGGYNRWGP-PVAVHDDUSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423341567 289551888 /nfs/dbraw/zinc/55/18/88/289551888.db2.gz YHKSJRPJABRCNO-MNOVXSKESA-N 2 2 294.345 3.439 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000560246765 289579562 /nfs/dbraw/zinc/57/95/62/289579562.db2.gz IDJXAQVKYOBYOG-CVEARBPZSA-N 2 2 290.451 3.162 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370133 290255939 /nfs/dbraw/zinc/25/59/39/290255939.db2.gz IQPCBCNVYDQFJU-PMRDFSHISA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)C1 ZINC000449370133 290255941 /nfs/dbraw/zinc/25/59/41/290255941.db2.gz IQPCBCNVYDQFJU-PMRDFSHISA-N 2 2 276.399 3.302 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)COC(C)C)[NH+](C)C ZINC000337258831 302209245 /nfs/dbraw/zinc/20/92/45/302209245.db2.gz OSEVMFYWNKQBEF-RYRKJORJSA-N 2 2 292.467 3.389 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582526009 329107019 /nfs/dbraw/zinc/10/70/19/329107019.db2.gz XWNNJAKGXOHQQF-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000582526009 329107021 /nfs/dbraw/zinc/10/70/21/329107021.db2.gz XWNNJAKGXOHQQF-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000152265743 321696831 /nfs/dbraw/zinc/69/68/31/321696831.db2.gz VHDHMAYSRQJYGG-KRWDZBQOSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)c1cccc(Cl)c1 ZINC000153969589 321731574 /nfs/dbraw/zinc/73/15/74/321731574.db2.gz ZHPOJDALIMSVAN-LBPRGKRZSA-N 2 2 268.832 3.373 20 0 CGADLP COc1ccc([C@@H](C[NH2+][C@H](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000156641557 321784137 /nfs/dbraw/zinc/78/41/37/321784137.db2.gz IVGDPSBRKHOHKQ-CRAIPNDOSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1ccc2cc(C[NH2+]CCCCn3cc[nH+]c3)ccc2n1 ZINC000318142854 321961214 /nfs/dbraw/zinc/96/12/14/321961214.db2.gz PABFYZGIZJXZMA-UHFFFAOYSA-N 2 2 294.402 3.310 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000563622530 322004319 /nfs/dbraw/zinc/00/43/19/322004319.db2.gz HFROSYZXUTWSCX-FGTMMUONSA-N 2 2 290.426 3.174 20 0 CGADLP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000563622530 322004320 /nfs/dbraw/zinc/00/43/20/322004320.db2.gz HFROSYZXUTWSCX-FGTMMUONSA-N 2 2 290.426 3.174 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000563868464 322013813 /nfs/dbraw/zinc/01/38/13/322013813.db2.gz KLHRYEDCMWXGJP-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000563868464 322013814 /nfs/dbraw/zinc/01/38/14/322013814.db2.gz KLHRYEDCMWXGJP-LJQANCHMSA-N 2 2 296.414 3.476 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2csc3ccccc23)n1C ZINC000564347014 322028819 /nfs/dbraw/zinc/02/88/19/322028819.db2.gz GQRROGLAVCVZGK-UHFFFAOYSA-N 2 2 285.416 3.276 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000564524654 322033440 /nfs/dbraw/zinc/03/34/40/322033440.db2.gz ZVCIJNGSLYUDKJ-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000564524654 322033442 /nfs/dbraw/zinc/03/34/42/322033442.db2.gz ZVCIJNGSLYUDKJ-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH2+][C@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000564798904 322043512 /nfs/dbraw/zinc/04/35/12/322043512.db2.gz AACMHZDGTTVWII-KRWDZBQOSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+][C@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000564798904 322043515 /nfs/dbraw/zinc/04/35/15/322043515.db2.gz AACMHZDGTTVWII-KRWDZBQOSA-N 2 2 298.430 3.293 20 0 CGADLP Cc1csc(C2([NH2+]Cc3c[nH+]c(C)n3C)CCCC2)n1 ZINC000566499159 322127478 /nfs/dbraw/zinc/12/74/78/322127478.db2.gz NLZGXLZNAVOQED-UHFFFAOYSA-N 2 2 290.436 3.053 20 0 CGADLP Cc1ccccc1-c1cnc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)o1 ZINC000567990635 322186535 /nfs/dbraw/zinc/18/65/35/322186535.db2.gz PZDNVQLWACZXGS-INIZCTEOSA-N 2 2 299.418 3.128 20 0 CGADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000568269605 322202001 /nfs/dbraw/zinc/20/20/01/322202001.db2.gz QSNPGQPLLGIJPU-KBPBESRZSA-N 2 2 261.413 3.146 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CO2 ZINC000569350034 322244472 /nfs/dbraw/zinc/24/44/72/322244472.db2.gz ONYZFPLJOUIVRU-YESZJQIVSA-N 2 2 280.371 3.163 20 0 CGADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000569706732 322254901 /nfs/dbraw/zinc/25/49/01/322254901.db2.gz SBEYBQNDYGIOIG-GDBMZVCRSA-N 2 2 263.429 3.253 20 0 CGADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000569706732 322254903 /nfs/dbraw/zinc/25/49/03/322254903.db2.gz SBEYBQNDYGIOIG-GDBMZVCRSA-N 2 2 263.429 3.253 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)n1C ZINC000570816371 322283167 /nfs/dbraw/zinc/28/31/67/322283167.db2.gz NMKXBIASCOZZCK-UHFFFAOYSA-N 2 2 289.810 3.203 20 0 CGADLP FC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000572683474 322350121 /nfs/dbraw/zinc/35/01/21/322350121.db2.gz XJKQKDPRGPUNRR-QGZVFWFLSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000572683474 322350122 /nfs/dbraw/zinc/35/01/22/322350122.db2.gz XJKQKDPRGPUNRR-QGZVFWFLSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000572683474 322350124 /nfs/dbraw/zinc/35/01/24/322350124.db2.gz XJKQKDPRGPUNRR-QGZVFWFLSA-N 2 2 288.410 3.087 20 0 CGADLP FC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000572683474 322350126 /nfs/dbraw/zinc/35/01/26/322350126.db2.gz XJKQKDPRGPUNRR-QGZVFWFLSA-N 2 2 288.410 3.087 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062973 322368072 /nfs/dbraw/zinc/36/80/72/322368072.db2.gz YYGVIIQMOUOHTE-PBHICJAKSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000573062973 322368074 /nfs/dbraw/zinc/36/80/74/322368074.db2.gz YYGVIIQMOUOHTE-PBHICJAKSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)Cc2ccc(C)cc2)n1C ZINC000573386682 322385456 /nfs/dbraw/zinc/38/54/56/322385456.db2.gz KYXXBOBBXNIKMW-UHFFFAOYSA-N 2 2 271.408 3.148 20 0 CGADLP CC[NH+]1CCC(CNc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000573664380 322399449 /nfs/dbraw/zinc/39/94/49/322399449.db2.gz AMSWMJJOGYTSIO-UHFFFAOYSA-N 2 2 299.418 3.387 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CC2)Cc1ccccc1 ZINC000583511337 328589658 /nfs/dbraw/zinc/58/96/58/328589658.db2.gz ZHBVYKSDXWLICL-SJORKVTESA-N 2 2 272.436 3.082 20 0 CGADLP FC1(F)CC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000582707082 329132789 /nfs/dbraw/zinc/13/27/89/329132789.db2.gz PTFWFNIOZXCFFR-UHFFFAOYSA-N 2 2 281.350 3.003 20 0 CGADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000582898959 329282865 /nfs/dbraw/zinc/28/28/65/329282865.db2.gz GIYCDEVBVNKYPK-AEFFLSMTSA-N 2 2 298.434 3.047 20 0 CGADLP C[NH2+]C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000576227404 335173982 /nfs/dbraw/zinc/17/39/82/335173982.db2.gz UGUWCOOJIWATBT-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCCc2ccc(F)c(F)c2)n1C ZINC000576479041 335210051 /nfs/dbraw/zinc/21/00/51/335210051.db2.gz AJZZPVDDGOPPOU-UHFFFAOYSA-N 2 2 293.361 3.119 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000577043766 335288784 /nfs/dbraw/zinc/28/87/84/335288784.db2.gz VAOUAWUKVMLZSH-JFIYKMOQSA-N 2 2 287.451 3.039 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000577043766 335288785 /nfs/dbraw/zinc/28/87/85/335288785.db2.gz VAOUAWUKVMLZSH-JFIYKMOQSA-N 2 2 287.451 3.039 20 0 CGADLP CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000579223564 335722934 /nfs/dbraw/zinc/72/29/34/335722934.db2.gz BFPDUEFDDRACBH-RYQLBKOJSA-N 2 2 292.467 3.065 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000381092528 336049861 /nfs/dbraw/zinc/04/98/61/336049861.db2.gz XCUBCIADNPGQCH-ZMSDIMECSA-N 2 2 260.425 3.428 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000381092528 336049862 /nfs/dbraw/zinc/04/98/62/336049862.db2.gz XCUBCIADNPGQCH-ZMSDIMECSA-N 2 2 260.425 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000382081778 336081484 /nfs/dbraw/zinc/08/14/84/336081484.db2.gz WDTDDWXLAYEWRL-ATLSCFEFSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000382081778 336081485 /nfs/dbraw/zinc/08/14/85/336081485.db2.gz WDTDDWXLAYEWRL-ATLSCFEFSA-N 2 2 272.436 3.285 20 0 CGADLP CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000382684218 336096174 /nfs/dbraw/zinc/09/61/74/336096174.db2.gz DFAGGAZHSPUAER-RBUKOAKNSA-N 2 2 298.405 3.403 20 0 CGADLP CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000382684218 336096176 /nfs/dbraw/zinc/09/61/76/336096176.db2.gz DFAGGAZHSPUAER-RBUKOAKNSA-N 2 2 298.405 3.403 20 0 CGADLP c1cn(CCCC[NH2+][C@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000581583199 336106123 /nfs/dbraw/zinc/10/61/23/336106123.db2.gz WAKNBZFDUFSCGR-KRWDZBQOSA-N 2 2 284.407 3.189 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000384678376 336128728 /nfs/dbraw/zinc/12/87/28/336128728.db2.gz SWFVHFFFSHOZFV-UHFFFAOYSA-N 2 2 264.388 3.098 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CCC2)C[N@@H+]1C1CC1 ZINC000385187969 336141455 /nfs/dbraw/zinc/14/14/55/336141455.db2.gz OCUIIFRMDVPOLP-JSGCOSHPSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CCC2)C[N@H+]1C1CC1 ZINC000385187969 336141456 /nfs/dbraw/zinc/14/14/56/336141456.db2.gz OCUIIFRMDVPOLP-JSGCOSHPSA-N 2 2 250.430 3.028 20 0 CGADLP Cn1ccc(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000386915800 336182237 /nfs/dbraw/zinc/18/22/37/336182237.db2.gz QPMDSYULYSBZID-UHFFFAOYSA-N 2 2 297.446 3.169 20 0 CGADLP Cn1ccc(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000386915800 336182238 /nfs/dbraw/zinc/18/22/38/336182238.db2.gz QPMDSYULYSBZID-UHFFFAOYSA-N 2 2 297.446 3.169 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414330732 533721517 /nfs/dbraw/zinc/72/15/17/533721517.db2.gz QDSUAKVACPCTGU-CYBMUJFWSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000414330732 533721526 /nfs/dbraw/zinc/72/15/26/533721526.db2.gz QDSUAKVACPCTGU-CYBMUJFWSA-N 2 2 298.352 3.340 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000449139413 533783748 /nfs/dbraw/zinc/78/37/48/533783748.db2.gz KZBBAUDZVBRCGY-IJEWVQPXSA-N 2 2 292.492 3.457 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccco1 ZINC000423519736 533833979 /nfs/dbraw/zinc/83/39/79/533833979.db2.gz DOMSXEOJLOLIOM-PQJKGVAHSA-N 2 2 274.408 3.084 20 0 CGADLP COc1cccc2c(N(C)CCC[NH+]3CCCC3)cc[nH+]c12 ZINC000358685985 533839953 /nfs/dbraw/zinc/83/99/53/533839953.db2.gz RYJHWNUSYVTOIZ-UHFFFAOYSA-N 2 2 299.418 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000423361791 533992612 /nfs/dbraw/zinc/99/26/12/533992612.db2.gz MOZBXGCBIWVPQO-PKFCDNJMSA-N 2 2 270.779 3.128 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423359453 533992657 /nfs/dbraw/zinc/99/26/57/533992657.db2.gz KMSJTMJXLGALTQ-ZRGWGRIASA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000436404006 534257098 /nfs/dbraw/zinc/25/70/98/534257098.db2.gz BZEBOOPSWAKWFF-NEPJUHHUSA-N 2 2 261.394 3.212 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCC)CC1 ZINC000111240874 519844197 /nfs/dbraw/zinc/84/41/97/519844197.db2.gz NMFGRNVLYQHTOQ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC)CC1 ZINC000111240874 519844198 /nfs/dbraw/zinc/84/41/98/519844198.db2.gz NMFGRNVLYQHTOQ-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)o2)CC1 ZINC000161660451 519846948 /nfs/dbraw/zinc/84/69/48/519846948.db2.gz NQUOFJRGOJKXEI-ZDUSSCGKSA-N 2 2 264.413 3.367 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)cc1 ZINC000423567188 534494865 /nfs/dbraw/zinc/49/48/65/534494865.db2.gz UZZVJNQWYCYZGA-SFHVURJKSA-N 2 2 299.393 3.042 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000365665157 534503214 /nfs/dbraw/zinc/50/32/14/534503214.db2.gz AAUGPUOYOJFXRO-SJLPKXTDSA-N 2 2 298.361 3.361 20 0 CGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000365665157 534503220 /nfs/dbraw/zinc/50/32/20/534503220.db2.gz AAUGPUOYOJFXRO-SJLPKXTDSA-N 2 2 298.361 3.361 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000278532516 520971068 /nfs/dbraw/zinc/97/10/68/520971068.db2.gz BSOAGNVMGIMRTJ-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000278532516 520971072 /nfs/dbraw/zinc/97/10/72/520971072.db2.gz BSOAGNVMGIMRTJ-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000080206395 524787576 /nfs/dbraw/zinc/78/75/76/524787576.db2.gz CMCXASVDVFMDAQ-HNNXBMFYSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156524969 525147308 /nfs/dbraw/zinc/14/73/08/525147308.db2.gz SSGJGEKVMYVTSZ-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156524969 525147313 /nfs/dbraw/zinc/14/73/13/525147313.db2.gz SSGJGEKVMYVTSZ-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1(C)CC1 ZINC000151350499 525455506 /nfs/dbraw/zinc/45/55/06/525455506.db2.gz BPJYXXXVSKGDJV-AWEZNQCLSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1Cl ZINC000049554222 525597158 /nfs/dbraw/zinc/59/71/58/525597158.db2.gz ICPYIJQOCHFXRE-WDEREUQCSA-N 2 2 272.795 3.470 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000086725218 525642532 /nfs/dbraw/zinc/64/25/32/525642532.db2.gz GOUFETLNJLKNNG-PSASIEDQSA-N 2 2 259.180 3.006 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000415055651 526619719 /nfs/dbraw/zinc/61/97/19/526619719.db2.gz OOESXJXYDXNLDC-CQSZACIVSA-N 2 2 291.826 3.351 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155524706 526627988 /nfs/dbraw/zinc/62/79/88/526627988.db2.gz BTNZXNTYJBUALI-NVXWUHKLSA-N 2 2 297.402 3.058 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155524706 526627995 /nfs/dbraw/zinc/62/79/95/526627995.db2.gz BTNZXNTYJBUALI-NVXWUHKLSA-N 2 2 297.402 3.058 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000414146908 528084947 /nfs/dbraw/zinc/08/49/47/528084947.db2.gz PTGUTAWOKDYGCH-QILLFSRXSA-N 2 2 299.418 3.479 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000355853123 528098932 /nfs/dbraw/zinc/09/89/32/528098932.db2.gz OEZWERJRGZWXAB-SJORKVTESA-N 2 2 299.418 3.166 20 0 CGADLP CCN(CCC[NH+](CC)CC)Cc1c[nH+]cn1C(C)C ZINC000425377573 528104435 /nfs/dbraw/zinc/10/44/35/528104435.db2.gz HJIWSZFMWXGONF-UHFFFAOYSA-N 2 2 280.460 3.018 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000358139436 528119872 /nfs/dbraw/zinc/11/98/72/528119872.db2.gz NPVBHOHTCUHELJ-UHFFFAOYSA-N 2 2 296.361 3.030 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000358139436 528119876 /nfs/dbraw/zinc/11/98/76/528119876.db2.gz NPVBHOHTCUHELJ-UHFFFAOYSA-N 2 2 296.361 3.030 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358230755 528208356 /nfs/dbraw/zinc/20/83/56/528208356.db2.gz YSUQMORBWRBWSS-JKIFEVAISA-N 2 2 276.424 3.075 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358230755 528208363 /nfs/dbraw/zinc/20/83/63/528208363.db2.gz YSUQMORBWRBWSS-JKIFEVAISA-N 2 2 276.424 3.075 20 0 CGADLP CCC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000191186260 528219752 /nfs/dbraw/zinc/21/97/52/528219752.db2.gz FJULQZSLCIYEFD-AWEZNQCLSA-N 2 2 252.427 3.275 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423375043 528223840 /nfs/dbraw/zinc/22/38/40/528223840.db2.gz CRPMBCXCNDXJJO-HOTGVXAUSA-N 2 2 275.440 3.291 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000423543804 528312716 /nfs/dbraw/zinc/31/27/16/528312716.db2.gz CEAXQSHRVAVZMV-NSHDSACASA-N 2 2 267.442 3.059 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423237769 528334037 /nfs/dbraw/zinc/33/40/37/528334037.db2.gz DTHXDXSQBXIUNM-SNVBAGLBSA-N 2 2 266.772 3.346 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000423385366 528424171 /nfs/dbraw/zinc/42/41/71/528424171.db2.gz QVRGYDDTQBNYBU-NXEZZACHSA-N 2 2 260.834 3.440 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000177796755 528465134 /nfs/dbraw/zinc/46/51/34/528465134.db2.gz ZQQKHEGRYWGAIH-SJLPKXTDSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000177796755 528465137 /nfs/dbraw/zinc/46/51/37/528465137.db2.gz ZQQKHEGRYWGAIH-SJLPKXTDSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423313152 528514323 /nfs/dbraw/zinc/51/43/23/528514323.db2.gz UDSUHPWVSXBEMK-HNNXBMFYSA-N 2 2 252.402 3.346 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423313464 528516153 /nfs/dbraw/zinc/51/61/53/528516153.db2.gz UHWIIJFDTIPHAY-GFCCVEGCSA-N 2 2 276.380 3.092 20 0 CGADLP CC(C)n1cc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000423270572 528575219 /nfs/dbraw/zinc/57/52/19/528575219.db2.gz GSIZWNVSYVEBPX-OAHLLOKOSA-N 2 2 292.471 3.427 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccccc1CC[NH+](C)C ZINC000424193313 528629576 /nfs/dbraw/zinc/62/95/76/528629576.db2.gz QLYYNEBGFDNJOK-UHFFFAOYSA-N 2 2 286.423 3.180 20 0 CGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc21 ZINC000423244438 528698713 /nfs/dbraw/zinc/69/87/13/528698713.db2.gz XMGIBKLBKMPVEV-OCCSQVGLSA-N 2 2 288.391 3.234 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(OCCC)c1 ZINC000423373133 528724785 /nfs/dbraw/zinc/72/47/85/528724785.db2.gz RMBLUIHPMPAMRF-KBPBESRZSA-N 2 2 294.439 3.262 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OCC ZINC000423297404 528956001 /nfs/dbraw/zinc/95/60/01/528956001.db2.gz KEUMXSYRHUEVFZ-UONOGXRCSA-N 2 2 264.413 3.253 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000427702719 529035303 /nfs/dbraw/zinc/03/53/03/529035303.db2.gz BRZRBOMIAWAXOY-QAPCUYQASA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000427702719 529035307 /nfs/dbraw/zinc/03/53/07/529035307.db2.gz BRZRBOMIAWAXOY-QAPCUYQASA-N 2 2 274.452 3.326 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Br ZINC000423264737 529071222 /nfs/dbraw/zinc/07/12/22/529071222.db2.gz QHUUPSZYNLZXOQ-GXFFZTMASA-N 2 2 285.229 3.083 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000482224057 529104669 /nfs/dbraw/zinc/10/46/69/529104669.db2.gz IKCWOOAYMSSKRX-BQFCYCMXSA-N 2 2 274.452 3.184 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]C[C@@H](C)Cc2ccccc2)[C@@H](C)C1 ZINC000482224057 529104677 /nfs/dbraw/zinc/10/46/77/529104677.db2.gz IKCWOOAYMSSKRX-BQFCYCMXSA-N 2 2 274.452 3.184 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000427873837 529203866 /nfs/dbraw/zinc/20/38/66/529203866.db2.gz LPHZKUZEXDWQSN-HUUCEWRRSA-N 2 2 273.355 3.078 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358174040 529241987 /nfs/dbraw/zinc/24/19/87/529241987.db2.gz WIIGXEJXVYLRKD-GJZGRUSLSA-N 2 2 275.440 3.070 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000123682296 535064942 /nfs/dbraw/zinc/06/49/42/535064942.db2.gz OZMKKYGKSPPTPC-XHDPSFHLSA-N 2 2 270.367 3.331 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000123682296 535064946 /nfs/dbraw/zinc/06/49/46/535064946.db2.gz OZMKKYGKSPPTPC-XHDPSFHLSA-N 2 2 270.367 3.331 20 0 CGADLP CCC[NH+](CCC)CCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000107343050 535324326 /nfs/dbraw/zinc/32/43/26/535324326.db2.gz OXBHESCCORCDTK-UHFFFAOYSA-N 2 2 277.412 3.231 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000382374214 572344862 /nfs/dbraw/zinc/34/48/62/572344862.db2.gz PUFRYZTWLJOQJP-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000382374214 572344867 /nfs/dbraw/zinc/34/48/67/572344867.db2.gz PUFRYZTWLJOQJP-WFASDCNBSA-N 2 2 282.790 3.040 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)c[nH+]1 ZINC000740876969 572465144 /nfs/dbraw/zinc/46/51/44/572465144.db2.gz QSYNYAFKBUJWHK-INIZCTEOSA-N 2 2 291.439 3.259 20 0 CGADLP c1cn([C@H]2CCC[N@H+](CCOC3CCCCCC3)C2)c[nH+]1 ZINC000740876969 572465145 /nfs/dbraw/zinc/46/51/45/572465145.db2.gz QSYNYAFKBUJWHK-INIZCTEOSA-N 2 2 291.439 3.259 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000398071673 572495898 /nfs/dbraw/zinc/49/58/98/572495898.db2.gz DSXHYIOLSLXWHL-LPHOPBHVSA-N 2 2 295.430 3.082 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000398071673 572495904 /nfs/dbraw/zinc/49/59/04/572495904.db2.gz DSXHYIOLSLXWHL-LPHOPBHVSA-N 2 2 295.430 3.082 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000726604958 572588528 /nfs/dbraw/zinc/58/85/28/572588528.db2.gz CHTBITAGLGYVHO-MLRPBERTSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000726604958 572588533 /nfs/dbraw/zinc/58/85/33/572588533.db2.gz CHTBITAGLGYVHO-MLRPBERTSA-N 2 2 258.409 3.164 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000090233607 617612766 /nfs/dbraw/zinc/61/27/66/617612766.db2.gz LAHKGVBDNQXICN-YJBOKZPZSA-N 2 2 287.451 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000090233607 617612773 /nfs/dbraw/zinc/61/27/73/617612773.db2.gz LAHKGVBDNQXICN-YJBOKZPZSA-N 2 2 287.451 3.072 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000892105436 618534678 /nfs/dbraw/zinc/53/46/78/618534678.db2.gz KXTSZOBVMHEGIT-MAUKXSAKSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000892105436 618534681 /nfs/dbraw/zinc/53/46/81/618534681.db2.gz KXTSZOBVMHEGIT-MAUKXSAKSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000892105436 618534684 /nfs/dbraw/zinc/53/46/84/618534684.db2.gz KXTSZOBVMHEGIT-MAUKXSAKSA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000892105436 618534694 /nfs/dbraw/zinc/53/46/94/618534694.db2.gz KXTSZOBVMHEGIT-MAUKXSAKSA-N 2 2 289.467 3.195 20 0 CGADLP Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(C2CCC2)[nH+]1 ZINC000892179388 618571795 /nfs/dbraw/zinc/57/17/95/618571795.db2.gz MHOZJXGCXANAID-OAHLLOKOSA-N 2 2 288.439 3.019 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CC(Sc3ccccc3)C1)C2 ZINC000926450408 618687779 /nfs/dbraw/zinc/68/77/79/618687779.db2.gz MJALHRSILGWAOV-DNOWBOINSA-N 2 2 299.443 3.180 20 0 CGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000065976463 618817464 /nfs/dbraw/zinc/81/74/64/618817464.db2.gz KACZIDOFFYVIFO-UHFFFAOYSA-N 2 2 289.448 3.273 20 0 CGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000065976463 618817465 /nfs/dbraw/zinc/81/74/65/618817465.db2.gz KACZIDOFFYVIFO-UHFFFAOYSA-N 2 2 289.448 3.273 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559963 618832907 /nfs/dbraw/zinc/83/29/07/618832907.db2.gz NRKGLXMKIPUWMD-PBHICJAKSA-N 2 2 290.451 3.049 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559963 618832909 /nfs/dbraw/zinc/83/29/09/618832909.db2.gz NRKGLXMKIPUWMD-PBHICJAKSA-N 2 2 290.451 3.049 20 0 CGADLP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926719697 618838664 /nfs/dbraw/zinc/83/86/64/618838664.db2.gz WTHKWWKGMRWPMK-NVXWUHKLSA-N 2 2 296.499 3.146 20 0 CGADLP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccc2[nH]1 ZINC000925670584 619122455 /nfs/dbraw/zinc/12/24/55/619122455.db2.gz LTAXXWUTLDMVAZ-QGZVFWFLSA-N 2 2 283.419 3.241 20 0 CGADLP Clc1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000093096126 619166319 /nfs/dbraw/zinc/16/63/19/619166319.db2.gz DMJJPOMUUDTTHH-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000093096126 619166320 /nfs/dbraw/zinc/16/63/20/619166320.db2.gz DMJJPOMUUDTTHH-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)[nH]1 ZINC000894258918 619447551 /nfs/dbraw/zinc/44/75/51/619447551.db2.gz KZMGFJSZIAPRKE-UHFFFAOYSA-N 2 2 298.434 3.076 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)F)c(F)c1 ZINC000894476986 619548840 /nfs/dbraw/zinc/54/88/40/619548840.db2.gz VLGKNRCUZREGNZ-UHFFFAOYSA-N 2 2 297.324 3.482 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)F)c(F)c1 ZINC000894476986 619548843 /nfs/dbraw/zinc/54/88/43/619548843.db2.gz VLGKNRCUZREGNZ-UHFFFAOYSA-N 2 2 297.324 3.482 20 0 CGADLP CC[C@@H]1CC[C@@H]1N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111771 619735641 /nfs/dbraw/zinc/73/56/41/619735641.db2.gz JGALTBVPDWYWOF-FPCVCCKLSA-N 2 2 273.424 3.347 20 0 CGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC000895670374 619869355 /nfs/dbraw/zinc/86/93/55/619869355.db2.gz FAUNCZDCSGHREL-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000895672388 619870035 /nfs/dbraw/zinc/87/00/35/619870035.db2.gz XSGGKGHTQNXAIH-UHFFFAOYSA-N 2 2 284.403 3.493 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)co2)CC1 ZINC000895822142 619890862 /nfs/dbraw/zinc/89/08/62/619890862.db2.gz KXIAZALUYUEHCP-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP C[C@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)Cn1cc[nH+]c1 ZINC000067500383 620143956 /nfs/dbraw/zinc/14/39/56/620143956.db2.gz FDZXKZWTVWRLCT-GFCCVEGCSA-N 2 2 292.452 3.063 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)cc2)c[nH+]1 ZINC000897952281 620454058 /nfs/dbraw/zinc/45/40/58/620454058.db2.gz FFWJOKMFFBPQDB-BHYGNILZSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667191 620558882 /nfs/dbraw/zinc/55/88/82/620558882.db2.gz JUMADTLMIMCHQL-BRSBDYLESA-N 2 2 296.499 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000924667191 620558884 /nfs/dbraw/zinc/55/88/84/620558884.db2.gz JUMADTLMIMCHQL-BRSBDYLESA-N 2 2 296.499 3.028 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927108571 620577708 /nfs/dbraw/zinc/57/77/08/620577708.db2.gz LLHDYDMCSOKPIU-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927108571 620577709 /nfs/dbraw/zinc/57/77/09/620577709.db2.gz LLHDYDMCSOKPIU-WBVHZDCISA-N 2 2 282.472 3.188 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000902428746 621314551 /nfs/dbraw/zinc/31/45/51/621314551.db2.gz HORXXDKAIGBCPM-KBPBESRZSA-N 2 2 282.815 3.098 20 0 CGADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431507 621316029 /nfs/dbraw/zinc/31/60/29/621316029.db2.gz FPXTZKLYSYZFJH-ZJIFWQFVSA-N 2 2 258.409 3.025 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C ZINC000902472479 621324630 /nfs/dbraw/zinc/32/46/30/621324630.db2.gz APJRVADCMKHVMN-HDEZJCGLSA-N 2 2 258.409 3.155 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902473813 621324955 /nfs/dbraw/zinc/32/49/55/621324955.db2.gz ACQAVIUBKCFKCM-QKPAOTATSA-N 2 2 276.811 3.274 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902836362 621468164 /nfs/dbraw/zinc/46/81/64/621468164.db2.gz GTKMHQWNKKLBLS-BBRMVZONSA-N 2 2 287.432 3.419 20 0 CGADLP C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902915946 621490590 /nfs/dbraw/zinc/49/05/90/621490590.db2.gz BKCRJIDQNKZTQA-CYBMUJFWSA-N 2 2 267.376 3.466 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903335212 621691497 /nfs/dbraw/zinc/69/14/97/621691497.db2.gz MKLPSBWLFQNRTK-UONOGXRCSA-N 2 2 287.407 3.336 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2c1 ZINC000903481402 621764918 /nfs/dbraw/zinc/76/49/18/621764918.db2.gz ARTUHZOMKQUBOM-GOSISDBHSA-N 2 2 295.430 3.308 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2coc(C3CC3)n2)CCC1 ZINC000903810790 621813209 /nfs/dbraw/zinc/81/32/09/621813209.db2.gz HXWMDAWXIBBXEV-HNNXBMFYSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2coc(C3CC3)n2)CCC1 ZINC000903810790 621813211 /nfs/dbraw/zinc/81/32/11/621813211.db2.gz HXWMDAWXIBBXEV-HNNXBMFYSA-N 2 2 289.423 3.036 20 0 CGADLP [NH3+][C@H](C[NH2+]C1(c2ccccc2Cl)CCC1)CC(F)F ZINC000903932631 621834521 /nfs/dbraw/zinc/83/45/21/621834521.db2.gz ULTIPOLCVANRGM-JTQLQIEISA-N 2 2 288.769 3.291 20 0 CGADLP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000903955005 621843318 /nfs/dbraw/zinc/84/33/18/621843318.db2.gz YBRIPHFHHDTFNZ-GJZGRUSLSA-N 2 2 295.496 3.079 20 0 CGADLP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000903955005 621843319 /nfs/dbraw/zinc/84/33/19/621843319.db2.gz YBRIPHFHHDTFNZ-GJZGRUSLSA-N 2 2 295.496 3.079 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc2ccccc21)Cn1cc[nH+]c1 ZINC000062254615 623211563 /nfs/dbraw/zinc/21/15/63/623211563.db2.gz OFMWWTKOJWAPJJ-HNNXBMFYSA-N 2 2 279.387 3.462 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019942863 634399736 /nfs/dbraw/zinc/39/97/36/634399736.db2.gz FNEOIESVXYIDKW-UKRRQHHQSA-N 2 2 264.413 3.225 20 0 CGADLP CCCCC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000179922869 624694917 /nfs/dbraw/zinc/69/49/17/624694917.db2.gz IKFQDQNLVLGKHT-AWEZNQCLSA-N 2 2 251.418 3.468 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000070149683 624960404 /nfs/dbraw/zinc/96/04/04/624960404.db2.gz FVDIZIVOFSFEQW-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000070149683 624960426 /nfs/dbraw/zinc/96/04/26/624960426.db2.gz FVDIZIVOFSFEQW-CYBMUJFWSA-N 2 2 291.420 3.106 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(F)c3)CCC2)n1C ZINC000922702393 626036304 /nfs/dbraw/zinc/03/63/04/626036304.db2.gz KFNNCHNSUGDYDH-UHFFFAOYSA-N 2 2 287.382 3.079 20 0 CGADLP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923390691 626150450 /nfs/dbraw/zinc/15/04/50/626150450.db2.gz KKOYPKSYKLBBFQ-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)cc1F ZINC000923390691 626150461 /nfs/dbraw/zinc/15/04/61/626150461.db2.gz KKOYPKSYKLBBFQ-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517947 626160598 /nfs/dbraw/zinc/16/05/98/626160598.db2.gz ITDMYUBWXCKJME-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517947 626160600 /nfs/dbraw/zinc/16/06/00/626160600.db2.gz ITDMYUBWXCKJME-CMPLNLGQSA-N 2 2 285.218 3.035 20 0 CGADLP c1csc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000761121666 627018000 /nfs/dbraw/zinc/01/80/00/627018000.db2.gz XIOSEMPTZUCCOW-UHFFFAOYSA-N 2 2 287.432 3.262 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766267696 627307398 /nfs/dbraw/zinc/30/73/98/627307398.db2.gz IBXAAKWRDTYHJO-KBXCAEBGSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766267696 627307401 /nfs/dbraw/zinc/30/74/01/627307401.db2.gz IBXAAKWRDTYHJO-KBXCAEBGSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766267697 627307953 /nfs/dbraw/zinc/30/79/53/627307953.db2.gz IBXAAKWRDTYHJO-KDOFPFPSSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766267697 627307956 /nfs/dbraw/zinc/30/79/56/627307956.db2.gz IBXAAKWRDTYHJO-KDOFPFPSSA-N 2 2 288.435 3.147 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c1 ZINC000766276022 627311659 /nfs/dbraw/zinc/31/16/59/627311659.db2.gz ZZLBRONYIXSBKN-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c1 ZINC000766276022 627311660 /nfs/dbraw/zinc/31/16/60/627311660.db2.gz ZZLBRONYIXSBKN-CVEARBPZSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)o1 ZINC000767358194 627401036 /nfs/dbraw/zinc/40/10/36/627401036.db2.gz CKJXBJANSNTLKU-UHFFFAOYSA-N 2 2 295.386 3.431 20 0 CGADLP FC(F)C1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000768670542 627491980 /nfs/dbraw/zinc/49/19/80/627491980.db2.gz VYYHGOIMQFTZKG-GPANFISMSA-N 2 2 294.389 3.457 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000771942766 627747697 /nfs/dbraw/zinc/74/76/97/627747697.db2.gz FKXIWFWLRRLVCG-UHFFFAOYSA-N 2 2 272.845 3.364 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCSCC1 ZINC000779010688 628383368 /nfs/dbraw/zinc/38/33/68/628383368.db2.gz FXIBXUFLZFCPJJ-ZFWWWQNUSA-N 2 2 295.496 3.419 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]1C)Cc1ccccc1 ZINC000783221016 628689052 /nfs/dbraw/zinc/68/90/52/628689052.db2.gz DUAZNNZRBVMYEI-SZMVWBNQSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783244859 628693692 /nfs/dbraw/zinc/69/36/92/628693692.db2.gz WTUAJHRIYUIVDS-RDTXWAMCSA-N 2 2 287.451 3.110 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863548221 629603225 /nfs/dbraw/zinc/60/32/25/629603225.db2.gz VWJXKGXREYCZOU-RISCZKNCSA-N 2 2 293.361 3.124 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CC(F)(F)F)s1 ZINC000796359118 629771599 /nfs/dbraw/zinc/77/15/99/629771599.db2.gz QMMCWBMTYZRFHR-UHFFFAOYSA-N 2 2 295.374 3.025 20 0 CGADLP Cl/C=C\C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438299 629780891 /nfs/dbraw/zinc/78/08/91/629780891.db2.gz UVEYLKCHYNUYSS-ASRSSLEJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438299 629780896 /nfs/dbraw/zinc/78/08/96/629780896.db2.gz UVEYLKCHYNUYSS-ASRSSLEJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796438299 629780898 /nfs/dbraw/zinc/78/08/98/629780898.db2.gz UVEYLKCHYNUYSS-ASRSSLEJSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438299 629780903 /nfs/dbraw/zinc/78/09/03/629780903.db2.gz UVEYLKCHYNUYSS-ASRSSLEJSA-N 2 2 290.838 3.337 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865437212 630123228 /nfs/dbraw/zinc/12/32/28/630123228.db2.gz CUOZRXVWEMHLLE-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865437212 630123233 /nfs/dbraw/zinc/12/32/33/630123233.db2.gz CUOZRXVWEMHLLE-ZDUSSCGKSA-N 2 2 295.496 3.262 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(CC3CCC3)c1)CC2 ZINC000865533153 630172304 /nfs/dbraw/zinc/17/23/04/630172304.db2.gz YPJNVSFUSNGJHC-SFHVURJKSA-N 2 2 295.430 3.330 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000800976825 630316412 /nfs/dbraw/zinc/31/64/12/630316412.db2.gz JEYZCIWVMHJXMX-IPELMVKDSA-N 2 2 299.462 3.429 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000802303511 630395289 /nfs/dbraw/zinc/39/52/89/630395289.db2.gz IWLQUULHHGCVTB-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000802303511 630395290 /nfs/dbraw/zinc/39/52/90/630395290.db2.gz IWLQUULHHGCVTB-ZBFHGGJFSA-N 2 2 252.446 3.275 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CCCS3)c2)c[nH+]1 ZINC000865724680 630476557 /nfs/dbraw/zinc/47/65/57/630476557.db2.gz CEHSMYPHCLTZLT-ZDUSSCGKSA-N 2 2 293.461 3.309 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766060 630802075 /nfs/dbraw/zinc/80/20/75/630802075.db2.gz TZAFPKIONCQSKH-KBXCAEBGSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc2ccccc2c1 ZINC000809766060 630802078 /nfs/dbraw/zinc/80/20/78/630802078.db2.gz TZAFPKIONCQSKH-KBXCAEBGSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc2ccccc2c1 ZINC000809766060 630802080 /nfs/dbraw/zinc/80/20/80/630802080.db2.gz TZAFPKIONCQSKH-KBXCAEBGSA-N 2 2 283.419 3.007 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000809766060 630802083 /nfs/dbraw/zinc/80/20/83/630802083.db2.gz TZAFPKIONCQSKH-KBXCAEBGSA-N 2 2 283.419 3.007 20 0 CGADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000810253816 630860255 /nfs/dbraw/zinc/86/02/55/630860255.db2.gz DJAYSUNTIZEGNF-TZMCWYRMSA-N 2 2 285.391 3.017 20 0 CGADLP CCN(C)c1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817902016 632231575 /nfs/dbraw/zinc/23/15/75/632231575.db2.gz GRSOKLOSZSOLBV-QZTJIDSGSA-N 2 2 295.430 3.377 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000817954013 632249032 /nfs/dbraw/zinc/24/90/32/632249032.db2.gz VABNWDFFTXMWJK-WCQYABFASA-N 2 2 282.815 3.060 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866230302 633036354 /nfs/dbraw/zinc/03/63/54/633036354.db2.gz ZAAHFZGLLQRWRW-LRDDRELGSA-N 2 2 273.355 3.078 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000866344302 633089584 /nfs/dbraw/zinc/08/95/84/633089584.db2.gz VHBAJATVJNEBGD-MRAWALMUSA-N 2 2 299.393 3.250 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000866350856 633093202 /nfs/dbraw/zinc/09/32/02/633093202.db2.gz DKJCRNAQPGOYSM-RDJZCZTQSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000866350856 633093206 /nfs/dbraw/zinc/09/32/06/633093206.db2.gz DKJCRNAQPGOYSM-RDJZCZTQSA-N 2 2 289.467 3.113 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000866386441 633116122 /nfs/dbraw/zinc/11/61/22/633116122.db2.gz AOWOWUUGGUXDML-BPQIPLTHSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000866386441 633116126 /nfs/dbraw/zinc/11/61/26/633116126.db2.gz AOWOWUUGGUXDML-BPQIPLTHSA-N 2 2 287.451 3.009 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCOC1 ZINC000866561672 633191690 /nfs/dbraw/zinc/19/16/90/633191690.db2.gz JHSRNPVNPNYIOM-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCOC1 ZINC000866561672 633191693 /nfs/dbraw/zinc/19/16/93/633191693.db2.gz JHSRNPVNPNYIOM-NJAFHUGGSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866581682 633202131 /nfs/dbraw/zinc/20/21/31/633202131.db2.gz AICXLXQNIHIGMJ-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866581682 633202134 /nfs/dbraw/zinc/20/21/34/633202134.db2.gz AICXLXQNIHIGMJ-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866581682 633202137 /nfs/dbraw/zinc/20/21/37/633202137.db2.gz AICXLXQNIHIGMJ-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866581682 633202139 /nfs/dbraw/zinc/20/21/39/633202139.db2.gz AICXLXQNIHIGMJ-XPKDYRNWSA-N 2 2 278.827 3.427 20 0 CGADLP CCC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000830499089 633867393 /nfs/dbraw/zinc/86/73/93/633867393.db2.gz RSUNUGNBQMREKO-UHFFFAOYSA-N 2 2 287.451 3.254 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872020677 633941356 /nfs/dbraw/zinc/94/13/56/633941356.db2.gz JAYRDPSUYZTWJC-YJBOKZPZSA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)[C@@H]1CCCOC1 ZINC000872052834 633975327 /nfs/dbraw/zinc/97/53/27/633975327.db2.gz QHWBSRLQMHFANJ-IKGGRYGDSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)[C@@H]1CCCOC1 ZINC000872052834 633975332 /nfs/dbraw/zinc/97/53/32/633975332.db2.gz QHWBSRLQMHFANJ-IKGGRYGDSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872088349 634014475 /nfs/dbraw/zinc/01/44/75/634014475.db2.gz QEMQZAMLZRASDB-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000872088349 634014480 /nfs/dbraw/zinc/01/44/80/634014480.db2.gz QEMQZAMLZRASDB-NXHRZFHOSA-N 2 2 294.483 3.188 20 0 CGADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC(F)(F)C1 ZINC000873197569 634281880 /nfs/dbraw/zinc/28/18/80/634281880.db2.gz HGVLLKGVSSWGSR-UHFFFAOYSA-N 2 2 283.347 3.211 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229932 634292625 /nfs/dbraw/zinc/29/26/25/634292625.db2.gz JAWQQHZRKJXRJO-CVEARBPZSA-N 2 2 272.417 3.276 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000877825444 635229049 /nfs/dbraw/zinc/22/90/49/635229049.db2.gz SMHLBFMQJSRMIW-GFCCVEGCSA-N 2 2 283.485 3.319 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000877825444 635229053 /nfs/dbraw/zinc/22/90/53/635229053.db2.gz SMHLBFMQJSRMIW-GFCCVEGCSA-N 2 2 283.485 3.319 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878239487 635427123 /nfs/dbraw/zinc/42/71/23/635427123.db2.gz HXJSIMBBGNPUGH-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878239487 635427130 /nfs/dbraw/zinc/42/71/30/635427130.db2.gz HXJSIMBBGNPUGH-KGLIPLIRSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880136353 635921455 /nfs/dbraw/zinc/92/14/55/635921455.db2.gz KUCFMSDECOMDQG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880136353 635921458 /nfs/dbraw/zinc/92/14/58/635921458.db2.gz KUCFMSDECOMDQG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880136353 635921463 /nfs/dbraw/zinc/92/14/63/635921463.db2.gz KUCFMSDECOMDQG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880136353 635921466 /nfs/dbraw/zinc/92/14/66/635921466.db2.gz KUCFMSDECOMDQG-MSOLQXFVSA-N 2 2 272.436 3.096 20 0 CGADLP c1cn(C[C@@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc2)c[nH+]1 ZINC000880568598 636022739 /nfs/dbraw/zinc/02/27/39/636022739.db2.gz BEJTXOSPUFAJEH-QZTJIDSGSA-N 2 2 299.418 3.173 20 0 CGADLP c1cn(C[C@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000880570526 636023560 /nfs/dbraw/zinc/02/35/60/636023560.db2.gz WZUBEQARWYFBOL-WMZOPIPTSA-N 2 2 299.418 3.031 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131032503 636544998 /nfs/dbraw/zinc/54/49/98/636544998.db2.gz YLHWNXRDJOCQLZ-SWLSCSKDSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131032503 636545016 /nfs/dbraw/zinc/54/50/16/636545016.db2.gz YLHWNXRDJOCQLZ-SWLSCSKDSA-N 2 2 258.365 3.135 20 0 CGADLP CC(C)c1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000848553474 636603228 /nfs/dbraw/zinc/60/32/28/636603228.db2.gz TYRFOBINRMCSBJ-CQSZACIVSA-N 2 2 269.392 3.180 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883236841 636606457 /nfs/dbraw/zinc/60/64/57/636606457.db2.gz LTMMUEKITPWDGB-PVAVHDDUSA-N 2 2 294.483 3.044 20 0 CGADLP c1cnc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2c1 ZINC000848574389 636613447 /nfs/dbraw/zinc/61/34/47/636613447.db2.gz DOGCIXGMMOUQBM-PKOBYXMFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000848574389 636613451 /nfs/dbraw/zinc/61/34/51/636613451.db2.gz DOGCIXGMMOUQBM-PKOBYXMFSA-N 2 2 295.430 3.341 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386912 636728903 /nfs/dbraw/zinc/72/89/03/636728903.db2.gz OOMCOXLNRMRTAY-WBVHZDCISA-N 2 2 287.407 3.029 20 0 CGADLP Cc1[nH]c(C2CCN(c3cccc(C)[nH+]3)CC2)[nH+]c1C ZINC000884707595 637132079 /nfs/dbraw/zinc/13/20/79/637132079.db2.gz RRDUGXPYKZFTKM-UHFFFAOYSA-N 2 2 270.380 3.114 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749103 637706739 /nfs/dbraw/zinc/70/67/39/637706739.db2.gz JFBKNRUFMKVMEF-DZGCQCFKSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000852749103 637706743 /nfs/dbraw/zinc/70/67/43/637706743.db2.gz JFBKNRUFMKVMEF-DZGCQCFKSA-N 2 2 293.842 3.007 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(SC(F)F)cc1 ZINC000854228464 638028379 /nfs/dbraw/zinc/02/83/79/638028379.db2.gz WNZAUOFSEOEBCO-RWWNRMGGSA-N 2 2 298.402 3.404 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1nc2ccccc2s1 ZINC000925499685 638260191 /nfs/dbraw/zinc/26/01/91/638260191.db2.gz SJBBFWKEXTYQQO-GDLCADMTSA-N 2 2 287.432 3.217 20 0 CGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924572875 638366349 /nfs/dbraw/zinc/36/63/49/638366349.db2.gz MWGVKRDCROZVEQ-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924572875 638366353 /nfs/dbraw/zinc/36/63/53/638366353.db2.gz MWGVKRDCROZVEQ-OLZOCXBDSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ncco1 ZINC000924582889 638368760 /nfs/dbraw/zinc/36/87/60/638368760.db2.gz OBOAWHIWKQOJMU-CQSZACIVSA-N 2 2 285.391 3.121 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924647783 638383202 /nfs/dbraw/zinc/38/32/02/638383202.db2.gz HPAFKHRDORSFQW-HLIUYOAVSA-N 2 2 287.432 3.185 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Cl)CC1 ZINC000924776150 638402514 /nfs/dbraw/zinc/40/25/14/638402514.db2.gz MBQYSAGRVOBUDB-NSHDSACASA-N 2 2 293.773 3.261 20 0 CGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccccn1)C1CCC1)CCC2 ZINC000925170177 638467046 /nfs/dbraw/zinc/46/70/46/638467046.db2.gz LDWRESZETDDXHF-RDJZCZTQSA-N 2 2 296.418 3.287 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)co2)cc1 ZINC000925527400 638520388 /nfs/dbraw/zinc/52/03/88/638520388.db2.gz NNYSBIOKTDKPCS-JKSUJKDBSA-N 2 2 297.402 3.010 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCC2)c1 ZINC000925553266 638527009 /nfs/dbraw/zinc/52/70/09/638527009.db2.gz QBFOUNCXADNSOF-MAUKXSAKSA-N 2 2 299.462 3.222 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1)c1ccccc1 ZINC000925600874 638541336 /nfs/dbraw/zinc/54/13/36/638541336.db2.gz GADHVPFAYQYAQN-IIDMSEBBSA-N 2 2 284.403 3.132 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccccc1 ZINC000925699739 638572397 /nfs/dbraw/zinc/57/23/97/638572397.db2.gz QFIQHTNRJWSXKV-FASAQXTFSA-N 2 2 295.430 3.324 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])nc1 ZINC000925719603 638579198 /nfs/dbraw/zinc/57/91/98/638579198.db2.gz POWXVYMZMAAMLQ-QAPCUYQASA-N 2 2 297.446 3.346 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925719053 638579295 /nfs/dbraw/zinc/57/92/95/638579295.db2.gz QHVFSDRGPHEQKX-FZMZJTMJSA-N 2 2 293.361 3.267 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785834 638614384 /nfs/dbraw/zinc/61/43/84/638614384.db2.gz XSQCYVKUTWCDNN-TYNCELHUSA-N 2 2 264.438 3.057 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858235596 638661449 /nfs/dbraw/zinc/66/14/49/638661449.db2.gz NDAKINKJFZFTMV-GFCCVEGCSA-N 2 2 286.391 3.185 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000858235596 638661454 /nfs/dbraw/zinc/66/14/54/638661454.db2.gz NDAKINKJFZFTMV-GFCCVEGCSA-N 2 2 286.391 3.185 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1[NH+](C)C ZINC000858398937 638703168 /nfs/dbraw/zinc/70/31/68/638703168.db2.gz MVRZSPPJSUAHSM-OAHLLOKOSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1[NH+](C)C ZINC000858398937 638703171 /nfs/dbraw/zinc/70/31/71/638703171.db2.gz MVRZSPPJSUAHSM-OAHLLOKOSA-N 2 2 275.440 3.346 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000926158349 638724937 /nfs/dbraw/zinc/72/49/37/638724937.db2.gz JOZVJDMYSAGNMU-BPLDGKMQSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000926158349 638724940 /nfs/dbraw/zinc/72/49/40/638724940.db2.gz JOZVJDMYSAGNMU-BPLDGKMQSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000926165493 638727125 /nfs/dbraw/zinc/72/71/25/638727125.db2.gz DVLYWKJJJMVQHE-GFCCVEGCSA-N 2 2 279.428 3.064 20 0 CGADLP CC(C)C(C(C)C)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926231336 638748176 /nfs/dbraw/zinc/74/81/76/638748176.db2.gz ZQSWXOAFRWKOCP-KBPBESRZSA-N 2 2 263.429 3.104 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858531816 638756859 /nfs/dbraw/zinc/75/68/59/638756859.db2.gz BFHFXXLJQWSRBZ-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858531816 638756863 /nfs/dbraw/zinc/75/68/63/638756863.db2.gz BFHFXXLJQWSRBZ-KSSFIOAISA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000926582546 638787648 /nfs/dbraw/zinc/78/76/48/638787648.db2.gz AFDQRHSYHZVGHU-YNEHKIRRSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000926582546 638787650 /nfs/dbraw/zinc/78/76/50/638787650.db2.gz AFDQRHSYHZVGHU-YNEHKIRRSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927104206 638842559 /nfs/dbraw/zinc/84/25/59/638842559.db2.gz JVMGJFKYBGHQMD-XYJFISCASA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927104206 638842560 /nfs/dbraw/zinc/84/25/60/638842560.db2.gz JVMGJFKYBGHQMD-XYJFISCASA-N 2 2 296.499 3.290 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622015 639182435 /nfs/dbraw/zinc/18/24/35/639182435.db2.gz NFPHGCLXLKICRY-HOTGVXAUSA-N 2 2 262.441 3.125 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC2(CC2)CC1 ZINC000931622015 639182440 /nfs/dbraw/zinc/18/24/40/639182440.db2.gz NFPHGCLXLKICRY-HOTGVXAUSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC2(CC2)CC1 ZINC000931622015 639182443 /nfs/dbraw/zinc/18/24/43/639182443.db2.gz NFPHGCLXLKICRY-HOTGVXAUSA-N 2 2 262.441 3.125 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC2(CC2)CC1 ZINC000931622015 639182451 /nfs/dbraw/zinc/18/24/51/639182451.db2.gz NFPHGCLXLKICRY-HOTGVXAUSA-N 2 2 262.441 3.125 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000092741335 640744300 /nfs/dbraw/zinc/74/43/00/640744300.db2.gz DTEIJOFQCIBXBB-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000250225366 640811771 /nfs/dbraw/zinc/81/17/71/640811771.db2.gz FJOSMLHWZNCUKR-WBVHZDCISA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000250225366 640811777 /nfs/dbraw/zinc/81/17/77/640811777.db2.gz FJOSMLHWZNCUKR-WBVHZDCISA-N 2 2 260.425 3.082 20 0 CGADLP CN(CC1CC[NH+](C)CC1)c1[nH+]ccc2ccccc21 ZINC000527888259 721931163 /nfs/dbraw/zinc/93/11/63/721931163.db2.gz UYKSAFZBAOYZDX-UHFFFAOYSA-N 2 2 269.392 3.013 20 0 CGADLP Clc1cc(Nc2ccc3c[nH+]cn3c2)cn2cc[nH+]c12 ZINC001250328919 805574844 /nfs/dbraw/zinc/57/48/44/805574844.db2.gz BGAAQPKNSIHCTF-UHFFFAOYSA-N 2 2 283.722 3.379 20 0 CGADLP C[NH+]1CCN(c2ccc3[nH]c(CC4CCCC4)[nH+]c3c2)CC1 ZINC001250576657 805704375 /nfs/dbraw/zinc/70/43/75/805704375.db2.gz XURLQAREVMAHIK-UHFFFAOYSA-N 2 2 298.434 3.047 20 0 CGADLP CC1([NH+]2CCCC2)CCN(c2cc(C3CC3)cc[nH+]2)CC1 ZINC001157661182 805847323 /nfs/dbraw/zinc/84/73/23/805847323.db2.gz YPBPCFIZMKWONG-UHFFFAOYSA-N 2 2 285.435 3.414 20 0 CGADLP Cc1cc(C)[nH+]c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001158141852 805923463 /nfs/dbraw/zinc/92/34/63/805923463.db2.gz ARQKAEPTZSWEOZ-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP c1c[nH+]c(N2CCCC2)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159167079 806054423 /nfs/dbraw/zinc/05/44/23/806054423.db2.gz IYZNUZLMRUOILK-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP Nc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001159281412 806072502 /nfs/dbraw/zinc/07/25/02/806072502.db2.gz YCURGHXKDQUUQC-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP c1c[nH+]c(Nc2ccc3c(c2)CC[NH2+]C3)c(N2CCCC2)c1 ZINC001159365679 806087715 /nfs/dbraw/zinc/08/77/15/806087715.db2.gz KBNQPEMFLJEVEX-UHFFFAOYSA-N 2 2 294.402 3.071 20 0 CGADLP CSc1cc(Nc2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC001159371022 806088937 /nfs/dbraw/zinc/08/89/37/806088937.db2.gz DDYQRXROYYDRHE-UHFFFAOYSA-N 2 2 257.362 3.150 20 0 CGADLP c1cn(-c2ccccc2Nc2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC001159447363 806103377 /nfs/dbraw/zinc/10/33/77/806103377.db2.gz KMAKRCCTRVTJNS-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP CN(C)c1ccc(Nc2ccccc2C2=CC[NH2+]CC2)c[nH+]1 ZINC001160022083 806214607 /nfs/dbraw/zinc/21/46/07/806214607.db2.gz WMKWNHZITIQZGS-UHFFFAOYSA-N 2 2 294.402 3.268 20 0 CGADLP CCCCCC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257364305 807125822 /nfs/dbraw/zinc/12/58/22/807125822.db2.gz XIWZBAIZJFJJDJ-ZDUSSCGKSA-N 2 2 263.429 3.411 20 0 CGADLP Cc1[nH+]cn(C2CCC3(CC3)CC2)c1CSCC[NH3+] ZINC001254434654 806397276 /nfs/dbraw/zinc/39/72/76/806397276.db2.gz PXZHZKZYRAUAPW-UHFFFAOYSA-N 2 2 279.453 3.279 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)C1CCc2ccccc2CC1 ZINC001254460530 806409535 /nfs/dbraw/zinc/40/95/35/806409535.db2.gz LMBVGUOSJBIQFZ-UHFFFAOYSA-N 2 2 286.463 3.350 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CCc2ccccc2CC1 ZINC001254460530 806409537 /nfs/dbraw/zinc/40/95/37/806409537.db2.gz LMBVGUOSJBIQFZ-UHFFFAOYSA-N 2 2 286.463 3.350 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254843092 806495847 /nfs/dbraw/zinc/49/58/47/806495847.db2.gz FLXJECIGPWBBKN-RDTXWAMCSA-N 2 2 272.436 3.384 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852324 806498780 /nfs/dbraw/zinc/49/87/80/806498780.db2.gz GOOUXOYVCMLLAB-ZWKOTPCHSA-N 2 2 288.410 3.447 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2[C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254852324 806498786 /nfs/dbraw/zinc/49/87/86/806498786.db2.gz GOOUXOYVCMLLAB-ZWKOTPCHSA-N 2 2 288.410 3.447 20 0 CGADLP CC(C)(Cc1cccc(F)c1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848892 806499235 /nfs/dbraw/zinc/49/92/35/806499235.db2.gz YJWLWBCHZRNWEX-KRWDZBQOSA-N 2 2 290.426 3.221 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC3CC[NH+](CC3)C1)CCC2 ZINC001254849483 806499288 /nfs/dbraw/zinc/49/92/88/806499288.db2.gz BPDRVFNMRGAVJQ-MJGOQNOKSA-N 2 2 284.447 3.446 20 0 CGADLP CC(C)[PH+](CCNc1ccc(N)c[nH+]1)C(C)C ZINC001162359156 806563804 /nfs/dbraw/zinc/56/38/04/806563804.db2.gz YMZOMLBTFCCQPT-UHFFFAOYSA-N 2 2 253.330 3.374 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)C1 ZINC001162402792 806577405 /nfs/dbraw/zinc/57/74/05/806577405.db2.gz WUZXZMCWGHBCAQ-BDAKNGLRSA-N 2 2 298.312 3.264 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001162455017 806587655 /nfs/dbraw/zinc/58/76/55/806587655.db2.gz RJBYRZRPORECHD-WMLDXEAASA-N 2 2 296.418 3.191 20 0 CGADLP COc1cccc2c(NC[C@H]3CCC[NH2+]C[C@H]3C)cc[nH+]c12 ZINC001162467381 806591424 /nfs/dbraw/zinc/59/14/24/806591424.db2.gz QCUBEWTWODAFJX-ZIAGYGMSSA-N 2 2 299.418 3.291 20 0 CGADLP COC1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001255465925 806645009 /nfs/dbraw/zinc/64/50/09/806645009.db2.gz YKJIXIRIDLNOON-UHFFFAOYSA-N 2 2 294.483 3.283 20 0 CGADLP COC1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001255465925 806645013 /nfs/dbraw/zinc/64/50/13/806645013.db2.gz YKJIXIRIDLNOON-UHFFFAOYSA-N 2 2 294.483 3.283 20 0 CGADLP Cc1cc(NCc2ccc3c(c2)CC[NH2+]C3)ccc1[NH+](C)C ZINC001162816338 806669494 /nfs/dbraw/zinc/66/94/94/806669494.db2.gz ZKCVGRUOQQSCTI-UHFFFAOYSA-N 2 2 295.430 3.319 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC001255555125 806672506 /nfs/dbraw/zinc/67/25/06/806672506.db2.gz WYHAQKNGXYPGHI-QGZVFWFLSA-N 2 2 299.418 3.262 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC001255555125 806672508 /nfs/dbraw/zinc/67/25/08/806672508.db2.gz WYHAQKNGXYPGHI-QGZVFWFLSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156021 798859928 /nfs/dbraw/zinc/85/99/28/798859928.db2.gz MGANJSFKOBAFMD-IHRRRGAJSA-N 2 2 251.418 3.322 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156545 798862012 /nfs/dbraw/zinc/86/20/12/798862012.db2.gz YQUYBOFQGQEUJN-KBPBESRZSA-N 2 2 251.418 3.322 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213912 798862059 /nfs/dbraw/zinc/86/20/59/798862059.db2.gz QAHRTTAKFMCWRG-DLBZAZTESA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000037213912 798862065 /nfs/dbraw/zinc/86/20/65/798862065.db2.gz QAHRTTAKFMCWRG-DLBZAZTESA-N 2 2 288.435 3.147 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000300416378 799204458 /nfs/dbraw/zinc/20/44/58/799204458.db2.gz JVCGSURJPXWKNR-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000300416378 799204464 /nfs/dbraw/zinc/20/44/64/799204464.db2.gz JVCGSURJPXWKNR-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000300416378 799204468 /nfs/dbraw/zinc/20/44/68/799204468.db2.gz JVCGSURJPXWKNR-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000300416378 799204474 /nfs/dbraw/zinc/20/44/74/799204474.db2.gz JVCGSURJPXWKNR-HOTGVXAUSA-N 2 2 252.446 3.373 20 0 CGADLP Fc1cc2[nH]c[nH+]c2cc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228502 806730027 /nfs/dbraw/zinc/73/00/27/806730027.db2.gz CBBSMNSBIDGTLC-ZDUSSCGKSA-N 2 2 288.351 3.020 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cc2ccccc2o1 ZINC000328496116 799252864 /nfs/dbraw/zinc/25/28/64/799252864.db2.gz QHLKFHPJTOMOLX-UATUXCOTSA-N 2 2 282.387 3.080 20 0 CGADLP Cc1ccc(SC[C@H](C)n2cc[nH+]c2CC[NH3+])cc1 ZINC001255753845 806736342 /nfs/dbraw/zinc/73/63/42/806736342.db2.gz YRZRWEQFJMJMTG-ZDUSSCGKSA-N 2 2 275.421 3.046 20 0 CGADLP C[C@]1(CNc2cccc[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000380908898 799369751 /nfs/dbraw/zinc/36/97/51/799369751.db2.gz JMXYGGUZPRGFSE-GOSISDBHSA-N 2 2 281.403 3.406 20 0 CGADLP C[C@]1(CNc2cccc[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000380908898 799369756 /nfs/dbraw/zinc/36/97/56/799369756.db2.gz JMXYGGUZPRGFSE-GOSISDBHSA-N 2 2 281.403 3.406 20 0 CGADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000381277065 799376479 /nfs/dbraw/zinc/37/64/79/799376479.db2.gz FPHYQWUAHZHZRD-CQSZACIVSA-N 2 2 277.437 3.458 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC000381603453 799383092 /nfs/dbraw/zinc/38/30/92/799383092.db2.gz NPPJMUOBUUODIC-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c2ccccc12 ZINC000381603453 799383098 /nfs/dbraw/zinc/38/30/98/799383098.db2.gz NPPJMUOBUUODIC-CXAGYDPISA-N 2 2 284.403 3.160 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382280845 799395154 /nfs/dbraw/zinc/39/51/54/799395154.db2.gz OKCICFOXZQTZDK-SLTXQBBLSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1c[nH+]c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(N)c1 ZINC000390508311 799472287 /nfs/dbraw/zinc/47/22/87/799472287.db2.gz XWDPIPPQDBNRAZ-INIZCTEOSA-N 2 2 296.418 3.049 20 0 CGADLP Cc1c[nH+]c(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(N)c1 ZINC000390508311 799472289 /nfs/dbraw/zinc/47/22/89/799472289.db2.gz XWDPIPPQDBNRAZ-INIZCTEOSA-N 2 2 296.418 3.049 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397970107 799524540 /nfs/dbraw/zinc/52/45/40/799524540.db2.gz ZPFLFTLDQDQODD-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397970107 799524545 /nfs/dbraw/zinc/52/45/45/799524545.db2.gz ZPFLFTLDQDQODD-NJAFHUGGSA-N 2 2 272.436 3.429 20 0 CGADLP [NH3+]CC[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399227591 799536665 /nfs/dbraw/zinc/53/66/65/799536665.db2.gz YRGSIYYGJMYLDN-ZDUSSCGKSA-N 2 2 287.234 3.031 20 0 CGADLP [NH3+]CC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399227591 799536670 /nfs/dbraw/zinc/53/66/70/799536670.db2.gz YRGSIYYGJMYLDN-ZDUSSCGKSA-N 2 2 287.234 3.031 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000470021866 799646422 /nfs/dbraw/zinc/64/64/22/799646422.db2.gz CLYULOHSCFULFJ-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000470021866 799646429 /nfs/dbraw/zinc/64/64/29/799646429.db2.gz CLYULOHSCFULFJ-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCCC1 ZINC000694329777 799821652 /nfs/dbraw/zinc/82/16/52/799821652.db2.gz LKTSUUQUYSTPFE-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000701960995 799901434 /nfs/dbraw/zinc/90/14/34/799901434.db2.gz ONVRMLXPMYIHKX-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000701960995 799901439 /nfs/dbraw/zinc/90/14/39/799901439.db2.gz ONVRMLXPMYIHKX-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000708835787 799996363 /nfs/dbraw/zinc/99/63/63/799996363.db2.gz FYQCYYNHSWLWCB-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000708835787 799996368 /nfs/dbraw/zinc/99/63/68/799996368.db2.gz FYQCYYNHSWLWCB-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1ncccc1F)C1CC1 ZINC001255951341 806795606 /nfs/dbraw/zinc/79/56/06/806795606.db2.gz IZSNXUOTRXXBPN-XJKSGUPXSA-N 2 2 293.430 3.382 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716273355 800167164 /nfs/dbraw/zinc/16/71/64/800167164.db2.gz WSJSGUUEDZYLMB-QAPCUYQASA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000721628432 800297849 /nfs/dbraw/zinc/29/78/49/800297849.db2.gz ASOYPKZLAYNCSC-PMPSAXMXSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1CC[C@H](C)C1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000926580078 800640233 /nfs/dbraw/zinc/64/02/33/800640233.db2.gz LBFQSAIVQBWZLK-DNUAJFIVSA-N 2 2 287.451 3.099 20 0 CGADLP C[C@H]1CC[C@H](C)C1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000926580078 800640239 /nfs/dbraw/zinc/64/02/39/800640239.db2.gz LBFQSAIVQBWZLK-DNUAJFIVSA-N 2 2 287.451 3.099 20 0 CGADLP Cc1cccc(C[N@H+](C2CC2)C2CC[NH+](C)CC2)c1C ZINC001256209951 806850877 /nfs/dbraw/zinc/85/08/77/806850877.db2.gz YETHHQJXUCVIJJ-UHFFFAOYSA-N 2 2 272.436 3.362 20 0 CGADLP Cc1cccc(C[N@@H+](C2CC2)C2CC[NH+](C)CC2)c1C ZINC001256209951 806850884 /nfs/dbraw/zinc/85/08/84/806850884.db2.gz YETHHQJXUCVIJJ-UHFFFAOYSA-N 2 2 272.436 3.362 20 0 CGADLP CC(C)c1cc(N(CCC[NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC001164120889 806895604 /nfs/dbraw/zinc/89/56/04/806895604.db2.gz AIVSPOSLNZWWMB-UHFFFAOYSA-N 2 2 278.444 3.287 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555623 806914392 /nfs/dbraw/zinc/91/43/92/806914392.db2.gz VELAGOXSMCQISC-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555623 806914398 /nfs/dbraw/zinc/91/43/98/806914398.db2.gz VELAGOXSMCQISC-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256555623 806914400 /nfs/dbraw/zinc/91/44/00/806914400.db2.gz VELAGOXSMCQISC-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@H]1C[C@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256555623 806914405 /nfs/dbraw/zinc/91/44/05/806914405.db2.gz VELAGOXSMCQISC-RYQLBKOJSA-N 2 2 290.426 3.473 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001256569645 806918240 /nfs/dbraw/zinc/91/82/40/806918240.db2.gz MHLNOBVEZNOVSF-BETUJISGSA-N 2 2 286.410 3.226 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001256569645 806918247 /nfs/dbraw/zinc/91/82/47/806918247.db2.gz MHLNOBVEZNOVSF-BETUJISGSA-N 2 2 286.410 3.226 20 0 CGADLP c1ccc(C[NH+]2CCC([NH+]3CC4(CCC4)C3)CC2)cc1 ZINC001256605940 806924296 /nfs/dbraw/zinc/92/42/96/806924296.db2.gz NJYSFZFVXCUCNF-UHFFFAOYSA-N 2 2 270.420 3.137 20 0 CGADLP C[C@H](Cc1ccncc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001256732591 806962817 /nfs/dbraw/zinc/96/28/17/806962817.db2.gz UXJSNLCKLFAJCN-CQSZACIVSA-N 2 2 292.386 3.208 20 0 CGADLP CC[NH+]1CCC(N(C)c2ccc(C(C)C)c[nH+]2)CC1 ZINC001165067723 806968252 /nfs/dbraw/zinc/96/82/52/806968252.db2.gz IIKVJSDFXRVAAY-UHFFFAOYSA-N 2 2 261.413 3.126 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001184265270 810186904 /nfs/dbraw/zinc/18/69/04/810186904.db2.gz RPSQRRSVLBTGEH-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001184265270 810186907 /nfs/dbraw/zinc/18/69/07/810186907.db2.gz RPSQRRSVLBTGEH-OAHLLOKOSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001205281057 812929017 /nfs/dbraw/zinc/92/90/17/812929017.db2.gz OYIQAHJBIHGDQX-KRWDZBQOSA-N 2 2 285.391 3.045 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001205281057 812929023 /nfs/dbraw/zinc/92/90/23/812929023.db2.gz OYIQAHJBIHGDQX-KRWDZBQOSA-N 2 2 285.391 3.045 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cnccc3C3CC3)cc2)C1 ZINC001244283165 803277729 /nfs/dbraw/zinc/27/77/29/803277729.db2.gz FQMTZVGZWOERJZ-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cnccc3C3CC3)cc2)C1 ZINC001244283165 803277733 /nfs/dbraw/zinc/27/77/33/803277733.db2.gz FQMTZVGZWOERJZ-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)o1 ZINC001137070785 803678933 /nfs/dbraw/zinc/67/89/33/803678933.db2.gz SKHDNJYLXSLDAR-UHFFFAOYSA-N 2 2 293.455 3.044 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)o1 ZINC001137070785 803678934 /nfs/dbraw/zinc/67/89/34/803678934.db2.gz SKHDNJYLXSLDAR-UHFFFAOYSA-N 2 2 293.455 3.044 20 0 CGADLP Cc1csc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001137159587 803691274 /nfs/dbraw/zinc/69/12/74/803691274.db2.gz GBXMTWTXVYOXMD-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP Cc1csc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001137159587 803691275 /nfs/dbraw/zinc/69/12/75/803691275.db2.gz GBXMTWTXVYOXMD-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP COc1c(C)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245361017 803712796 /nfs/dbraw/zinc/71/27/96/803712796.db2.gz AEBVVSUADYGNAB-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1c(C)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001245361017 803712798 /nfs/dbraw/zinc/71/27/98/803712798.db2.gz AEBVVSUADYGNAB-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cccc1C ZINC001137852655 803784574 /nfs/dbraw/zinc/78/45/74/803784574.db2.gz LWKORGXPFXYWDW-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cccc1C ZINC001137852655 803784582 /nfs/dbraw/zinc/78/45/82/803784582.db2.gz LWKORGXPFXYWDW-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)c(C)c1 ZINC001138437380 803936667 /nfs/dbraw/zinc/93/66/67/803936667.db2.gz VMOAHGIHCXJRII-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c(C)c1 ZINC001138437380 803936671 /nfs/dbraw/zinc/93/66/71/803936671.db2.gz VMOAHGIHCXJRII-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1ccc2c[nH+]cn2c1 ZINC001245899483 804030259 /nfs/dbraw/zinc/03/02/59/804030259.db2.gz IGTBFRZKNUEBGZ-UHFFFAOYSA-N 2 2 290.326 3.196 20 0 CGADLP CC(C)C1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246073961 804112880 /nfs/dbraw/zinc/11/28/80/804112880.db2.gz BUPUGFLILGCZAJ-BDVYOWHSSA-N 2 2 260.425 3.491 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246077855 804116250 /nfs/dbraw/zinc/11/62/50/804116250.db2.gz UIJKISABSZXVKY-GUYCJALGSA-N 2 2 272.367 3.046 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246089033 804122104 /nfs/dbraw/zinc/12/21/04/804122104.db2.gz BAYGESYZIANMBN-TZMCWYRMSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001246096143 804128070 /nfs/dbraw/zinc/12/80/70/804128070.db2.gz ITEOGGUFTSEZMM-FZMZJTMJSA-N 2 2 284.856 3.162 20 0 CGADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246100387 804133704 /nfs/dbraw/zinc/13/37/04/804133704.db2.gz SVDCHTLYGCAAHY-ZGUYJTEBSA-N 2 2 290.426 3.078 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)C[C@H](CC)[NH2+]1 ZINC001246100745 804133888 /nfs/dbraw/zinc/13/38/88/804133888.db2.gz UUBPWCDRGWQXQR-CLLJXQQHSA-N 2 2 282.378 3.364 20 0 CGADLP CC[N@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH+](C)CC1 ZINC001139205697 804162415 /nfs/dbraw/zinc/16/24/15/804162415.db2.gz POYXSWIUMVUZOS-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](Cc1ccc2ccn(C)c2c1)C1CC[NH+](C)CC1 ZINC001139205697 804162418 /nfs/dbraw/zinc/16/24/18/804162418.db2.gz POYXSWIUMVUZOS-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+][C@H]3c3ccccc3)C[C@@H]21 ZINC001246140603 804164072 /nfs/dbraw/zinc/16/40/72/804164072.db2.gz GYDUQFFIRULSSZ-UUAJXVIYSA-N 2 2 270.420 3.114 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2cc(O)ccc2c1 ZINC001139341568 804178207 /nfs/dbraw/zinc/17/82/07/804178207.db2.gz ITBRKEPAODHOTR-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2cc(O)ccc2c1 ZINC001139341568 804178210 /nfs/dbraw/zinc/17/82/10/804178210.db2.gz ITBRKEPAODHOTR-UHFFFAOYSA-N 2 2 295.386 3.264 20 0 CGADLP Fc1cccc2c1CC[C@@H]([NH2+]CC[NH2+]Cc1ccccc1)C2 ZINC001246167006 804182074 /nfs/dbraw/zinc/18/20/74/804182074.db2.gz AKWQEQUIIQNXAO-QGZVFWFLSA-N 2 2 298.405 3.062 20 0 CGADLP CCCCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246177115 804191225 /nfs/dbraw/zinc/19/12/25/804191225.db2.gz HGHWSAJAZGRNSY-WMLDXEAASA-N 2 2 260.425 3.259 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2Cl)CC[NH2+]1 ZINC001246177709 804192167 /nfs/dbraw/zinc/19/21/67/804192167.db2.gz DEMBXRUJKICBIC-UKRRQHHQSA-N 2 2 284.806 3.345 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCSc2ccc(Cl)cc2)C[NH2+]1 ZINC001246186391 804197319 /nfs/dbraw/zinc/19/73/19/804197319.db2.gz ZVRFEYYMWLJDPU-DGCLKSJQSA-N 2 2 284.856 3.162 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238517 804230576 /nfs/dbraw/zinc/23/05/76/804230576.db2.gz FWGNCQKVONYBBF-PMPSAXMXSA-N 2 2 270.461 3.092 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC001246283456 804258803 /nfs/dbraw/zinc/25/88/03/804258803.db2.gz BCBGKDDGUCXWNA-HOTGVXAUSA-N 2 2 264.388 3.255 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)ccc1Cl ZINC001246293081 804261586 /nfs/dbraw/zinc/26/15/86/804261586.db2.gz OCVTWOPHFUDIMG-JSGCOSHPSA-N 2 2 266.816 3.441 20 0 CGADLP CCC1CCC(C2CCC([NH2+][C@@H]([NH3+])CCC[NH3+])CC2)CC1 ZINC001246299194 804265766 /nfs/dbraw/zinc/26/57/66/804265766.db2.gz GMFJXEKZHSTLAY-ARUCBAPRSA-N 3 2 295.515 3.375 20 0 CGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3C(F)F)C[C@H]2C1 ZINC001139801953 804285650 /nfs/dbraw/zinc/28/56/50/804285650.db2.gz HMSHKJVOHIQBDY-ZIAGYGMSSA-N 2 2 280.362 3.008 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(F)c1F ZINC001246349331 804297801 /nfs/dbraw/zinc/29/78/01/804297801.db2.gz KHWRKTVIPHBTSP-WOPDTQHZSA-N 2 2 268.351 3.064 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CCC[NH2+]C2)(c2ccccc2)CC1 ZINC001246408080 804323965 /nfs/dbraw/zinc/32/39/65/804323965.db2.gz UJDQDMJFAWGPBK-HNNXBMFYSA-N 2 2 294.389 3.433 20 0 CGADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C(C)C)c1 ZINC001246469711 804348311 /nfs/dbraw/zinc/34/83/11/804348311.db2.gz FPEKMMGYNAMNJC-USXIJHARSA-N 2 2 260.425 3.422 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccc(Br)cc1 ZINC001246492046 804359553 /nfs/dbraw/zinc/35/95/53/804359553.db2.gz RVGAWHSUAOTHSM-ZLKJLUDKSA-N 2 2 297.240 3.240 20 0 CGADLP CCC1CCC([NH2+][C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC001246508032 804365301 /nfs/dbraw/zinc/36/53/01/804365301.db2.gz CPWUDHDHARCAJZ-PUJMQQBBSA-N 2 2 276.424 3.253 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506740 804365735 /nfs/dbraw/zinc/36/57/35/804365735.db2.gz JKUVCSRRTPBRHR-MGPQQGTHSA-N 2 2 286.341 3.397 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H](C)CCCC(C)C)c1 ZINC001246513541 804370257 /nfs/dbraw/zinc/37/02/57/804370257.db2.gz XZEFRAYTRXOFBE-PBHICJAKSA-N 2 2 278.440 3.499 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)n1 ZINC001140134539 804385815 /nfs/dbraw/zinc/38/58/15/804385815.db2.gz MTCUMZQELPSEER-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(F)n1 ZINC001140134539 804385823 /nfs/dbraw/zinc/38/58/23/804385823.db2.gz MTCUMZQELPSEER-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)n1 ZINC001140134539 804385831 /nfs/dbraw/zinc/38/58/31/804385831.db2.gz MTCUMZQELPSEER-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(F)n1 ZINC001140134539 804385839 /nfs/dbraw/zinc/38/58/39/804385839.db2.gz MTCUMZQELPSEER-HOTGVXAUSA-N 2 2 291.414 3.060 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246544379 804393363 /nfs/dbraw/zinc/39/33/63/804393363.db2.gz VFHVKWOFYAKSHS-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246544379 804393372 /nfs/dbraw/zinc/39/33/72/804393372.db2.gz VFHVKWOFYAKSHS-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553594 804404435 /nfs/dbraw/zinc/40/44/35/804404435.db2.gz ZIZDGYHSLKEWIU-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553594 804404439 /nfs/dbraw/zinc/40/44/39/804404439.db2.gz ZIZDGYHSLKEWIU-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP CCCCCC(CCCCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557700 804405771 /nfs/dbraw/zinc/40/57/71/804405771.db2.gz NYOQYGJSKPNPGI-QGZVFWFLSA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC(CCCCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557700 804405774 /nfs/dbraw/zinc/40/57/74/804405774.db2.gz NYOQYGJSKPNPGI-QGZVFWFLSA-N 2 2 284.488 3.436 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558265 804407522 /nfs/dbraw/zinc/40/75/22/804407522.db2.gz KFNXNAPDIJRMIB-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558265 804407525 /nfs/dbraw/zinc/40/75/25/804407525.db2.gz KFNXNAPDIJRMIB-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560173 804408841 /nfs/dbraw/zinc/40/88/41/804408841.db2.gz UUCYPBNIPMRGFM-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccccn2)CC[NH2+]1 ZINC001246560173 804408845 /nfs/dbraw/zinc/40/88/45/804408845.db2.gz UUCYPBNIPMRGFM-LPHOPBHVSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246560569 804410398 /nfs/dbraw/zinc/41/03/98/804410398.db2.gz VPWVPYJEMODJOO-IPYPFGDCSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246560569 804410401 /nfs/dbraw/zinc/41/04/01/804410401.db2.gz VPWVPYJEMODJOO-IPYPFGDCSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246588155 804432128 /nfs/dbraw/zinc/43/21/28/804432128.db2.gz KCAKXLYUWFJOTE-NSHDSACASA-N 2 2 284.856 3.101 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610905 804445376 /nfs/dbraw/zinc/44/53/76/804445376.db2.gz CYMIQOHHDLOAAZ-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610905 804445377 /nfs/dbraw/zinc/44/53/77/804445377.db2.gz CYMIQOHHDLOAAZ-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140592340 804469798 /nfs/dbraw/zinc/46/97/98/804469798.db2.gz HRLNPOXYLWKNJG-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140592340 804469800 /nfs/dbraw/zinc/46/98/00/804469800.db2.gz HRLNPOXYLWKNJG-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246647091 804474240 /nfs/dbraw/zinc/47/42/40/804474240.db2.gz GZVQNQTWZGEWJD-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001246647091 804474243 /nfs/dbraw/zinc/47/42/43/804474243.db2.gz GZVQNQTWZGEWJD-NVXWUHKLSA-N 2 2 290.476 3.304 20 0 CGADLP CC[C@@H](CC(C)C)[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645915 804474294 /nfs/dbraw/zinc/47/42/94/804474294.db2.gz DSQABTKOMMUDCK-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H](CC(C)C)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246645915 804474297 /nfs/dbraw/zinc/47/42/97/804474297.db2.gz DSQABTKOMMUDCK-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246652573 804478321 /nfs/dbraw/zinc/47/83/21/804478321.db2.gz GCFFQJMMJDNOGR-ZMSDIMECSA-N 2 2 262.441 3.303 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246652573 804478327 /nfs/dbraw/zinc/47/83/27/804478327.db2.gz GCFFQJMMJDNOGR-ZMSDIMECSA-N 2 2 262.441 3.303 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780228 804508152 /nfs/dbraw/zinc/50/81/52/804508152.db2.gz BLZSMFRDGILMJX-IAGOWNOFSA-N 2 2 288.435 3.192 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC001246780228 804508161 /nfs/dbraw/zinc/50/81/61/804508161.db2.gz BLZSMFRDGILMJX-IAGOWNOFSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246790125 804513371 /nfs/dbraw/zinc/51/33/71/804513371.db2.gz UWHQBUWYTHPGNC-SUMWQHHRSA-N 2 2 276.399 3.146 20 0 CGADLP CC(C)[N@H+](Cc1cc(O)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140794060 804517528 /nfs/dbraw/zinc/51/75/28/804517528.db2.gz VRRGNTCONVIUFB-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP CC(C)[N@@H+](Cc1cc(O)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC001140794060 804517532 /nfs/dbraw/zinc/51/75/32/804517532.db2.gz VRRGNTCONVIUFB-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799775 804518265 /nfs/dbraw/zinc/51/82/65/804518265.db2.gz LOUPEFNPPFVLDQ-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799775 804518270 /nfs/dbraw/zinc/51/82/70/804518270.db2.gz LOUPEFNPPFVLDQ-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799775 804518273 /nfs/dbraw/zinc/51/82/73/804518273.db2.gz LOUPEFNPPFVLDQ-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3Cl)C[C@@H]2C1 ZINC001140799775 804518278 /nfs/dbraw/zinc/51/82/78/804518278.db2.gz LOUPEFNPPFVLDQ-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP COc1ccccc1C1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246818944 804533091 /nfs/dbraw/zinc/53/30/91/804533091.db2.gz GJRAYGQPINBQGM-GDBMZVCRSA-N 2 2 288.435 3.015 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827667 804539286 /nfs/dbraw/zinc/53/92/86/804539286.db2.gz QDPYQECVNZZGEX-QZTJIDSGSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827667 804539291 /nfs/dbraw/zinc/53/92/91/804539291.db2.gz QDPYQECVNZZGEX-QZTJIDSGSA-N 2 2 290.426 3.495 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001246832385 804541260 /nfs/dbraw/zinc/54/12/60/804541260.db2.gz BLQXLSKAWVYGSA-QLFBSQMISA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1F ZINC001246832385 804541264 /nfs/dbraw/zinc/54/12/64/804541264.db2.gz BLQXLSKAWVYGSA-QLFBSQMISA-N 2 2 268.420 3.251 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847116 804556860 /nfs/dbraw/zinc/55/68/60/804556860.db2.gz JHIDKDQICONRAX-ZIAGYGMSSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC001246847116 804556863 /nfs/dbraw/zinc/55/68/63/804556863.db2.gz JHIDKDQICONRAX-ZIAGYGMSSA-N 2 2 278.827 3.229 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866550 804569102 /nfs/dbraw/zinc/56/91/02/804569102.db2.gz CODXHYVNACJKLJ-HZPDHXFCSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246866550 804569109 /nfs/dbraw/zinc/56/91/09/804569109.db2.gz CODXHYVNACJKLJ-HZPDHXFCSA-N 2 2 278.827 3.432 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873183 804573643 /nfs/dbraw/zinc/57/36/43/804573643.db2.gz SRVSAKSONPYSLQ-IXPVHAAZSA-N 2 2 299.245 3.348 20 0 CGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873183 804573646 /nfs/dbraw/zinc/57/36/46/804573646.db2.gz SRVSAKSONPYSLQ-IXPVHAAZSA-N 2 2 299.245 3.348 20 0 CGADLP c1ccc(SC2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246876251 804574615 /nfs/dbraw/zinc/57/46/15/804574615.db2.gz NWRPFZVJIBIDIT-HNNXBMFYSA-N 2 2 290.476 3.385 20 0 CGADLP FC1(F)CC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141046955 804578696 /nfs/dbraw/zinc/57/86/96/804578696.db2.gz AOKGXUFIXSIXIK-UHFFFAOYSA-N 2 2 291.345 3.346 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)cc2[nH+]1 ZINC001141046204 804578840 /nfs/dbraw/zinc/57/88/40/804578840.db2.gz QMYZPTFJOQKMOB-JKSUJKDBSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)cc2[nH+]1 ZINC001141046204 804578843 /nfs/dbraw/zinc/57/88/43/804578843.db2.gz QMYZPTFJOQKMOB-JKSUJKDBSA-N 2 2 269.392 3.489 20 0 CGADLP CCC[C@H](CC)[N@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950094 804615859 /nfs/dbraw/zinc/61/58/59/804615859.db2.gz SRRLYMOKOZCGSN-DLBZAZTESA-N 2 2 275.440 3.214 20 0 CGADLP CCC[C@H](CC)[N@@H+](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC001246950094 804615862 /nfs/dbraw/zinc/61/58/62/804615862.db2.gz SRRLYMOKOZCGSN-DLBZAZTESA-N 2 2 275.440 3.214 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141232717 804617978 /nfs/dbraw/zinc/61/79/78/804617978.db2.gz KRPSCWXWAPBVEA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141232717 804617983 /nfs/dbraw/zinc/61/79/83/804617983.db2.gz KRPSCWXWAPBVEA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141232717 804617986 /nfs/dbraw/zinc/61/79/86/804617986.db2.gz KRPSCWXWAPBVEA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C)C[C@@H]2C1 ZINC001141232717 804617989 /nfs/dbraw/zinc/61/79/89/804617989.db2.gz KRPSCWXWAPBVEA-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237416 804621096 /nfs/dbraw/zinc/62/10/96/804621096.db2.gz SPRULPBENXHGAW-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237416 804621099 /nfs/dbraw/zinc/62/10/99/804621099.db2.gz SPRULPBENXHGAW-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237416 804621104 /nfs/dbraw/zinc/62/11/04/804621104.db2.gz SPRULPBENXHGAW-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(C)c3)C[C@@H]2C1 ZINC001141237416 804621106 /nfs/dbraw/zinc/62/11/06/804621106.db2.gz SPRULPBENXHGAW-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP C[N@H+](Cc1cccc(O)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141238261 804622549 /nfs/dbraw/zinc/62/25/49/804622549.db2.gz JANCYWDSHIFHJN-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP C[N@@H+](Cc1cccc(O)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141238261 804622556 /nfs/dbraw/zinc/62/25/56/804622556.db2.gz JANCYWDSHIFHJN-UHFFFAOYSA-N 2 2 293.370 3.210 20 0 CGADLP Cc1cc2[nH]c(C3CC4(C3)CC[NH2+]CC4)[nH+]c2cc1C ZINC001247015533 804643272 /nfs/dbraw/zinc/64/32/72/804643272.db2.gz ZBVPHQPULDZGJK-UHFFFAOYSA-N 2 2 269.392 3.427 20 0 CGADLP CCCOc1ccc2[nH+]c(CCCCC[NH3+])n(C)c2c1 ZINC001247043190 804650692 /nfs/dbraw/zinc/65/06/92/804650692.db2.gz QGGGTWQHIHCOLA-UHFFFAOYSA-N 2 2 275.396 3.034 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(SC)s1 ZINC001142032368 804689911 /nfs/dbraw/zinc/68/99/11/804689911.db2.gz ZCYREBCUYJOFFO-UHFFFAOYSA-N 2 2 281.450 3.189 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(SC)s1 ZINC001142032368 804689915 /nfs/dbraw/zinc/68/99/15/804689915.db2.gz ZCYREBCUYJOFFO-UHFFFAOYSA-N 2 2 281.450 3.189 20 0 CGADLP c1cn2cc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)ccc2[nH+]1 ZINC001143026779 804796548 /nfs/dbraw/zinc/79/65/48/804796548.db2.gz FCFOGOANQGFTOP-JKSUJKDBSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2cc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)ccc2[nH+]1 ZINC001143026779 804796556 /nfs/dbraw/zinc/79/65/56/804796556.db2.gz FCFOGOANQGFTOP-JKSUJKDBSA-N 2 2 269.392 3.489 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001143589610 804872490 /nfs/dbraw/zinc/87/24/90/804872490.db2.gz DNQPVMOKNPYATI-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001249440182 805149747 /nfs/dbraw/zinc/14/97/47/805149747.db2.gz AJNKJIOADKDJDY-NVXWUHKLSA-N 2 2 290.476 3.182 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001249440182 805149751 /nfs/dbraw/zinc/14/97/51/805149751.db2.gz AJNKJIOADKDJDY-NVXWUHKLSA-N 2 2 290.476 3.182 20 0 CGADLP Cc1cc(Nc2cc[nH+]cc2Oc2ccccc2)c[nH+]c1N ZINC001249778475 805241484 /nfs/dbraw/zinc/24/14/84/805241484.db2.gz HDZUVPHOGDCEHV-UHFFFAOYSA-N 2 2 292.342 3.325 20 0 CGADLP Cc1cc(Cl)c(C)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155058042 805529960 /nfs/dbraw/zinc/52/99/60/805529960.db2.gz ROBJWWKLQYAPPA-UHFFFAOYSA-N 2 2 290.798 3.005 20 0 CGADLP CSCc1cc[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155272767 805566047 /nfs/dbraw/zinc/56/60/47/805566047.db2.gz XDLCEGYVXBDMGO-UHFFFAOYSA-N 2 2 299.443 3.202 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2cccnc2F)C2CC2)CC1 ZINC001257213213 807062346 /nfs/dbraw/zinc/06/23/46/807062346.db2.gz IBHMHQYMDOJQOJ-INIZCTEOSA-N 2 2 291.414 3.134 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001257222044 807065298 /nfs/dbraw/zinc/06/52/98/807065298.db2.gz QIQUGOFBOQMDTF-UHFFFAOYSA-N 2 2 276.399 3.057 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001257222044 807065304 /nfs/dbraw/zinc/06/53/04/807065304.db2.gz QIQUGOFBOQMDTF-UHFFFAOYSA-N 2 2 276.399 3.057 20 0 CGADLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257307985 807098791 /nfs/dbraw/zinc/09/87/91/807098791.db2.gz YGUXWEZIIYCFDV-OAHLLOKOSA-N 2 2 290.451 3.438 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001167834917 807258965 /nfs/dbraw/zinc/25/89/65/807258965.db2.gz NUSBFFUXXPDFIV-KRWDZBQOSA-N 3 2 297.531 3.302 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001167834917 807258969 /nfs/dbraw/zinc/25/89/69/807258969.db2.gz NUSBFFUXXPDFIV-KRWDZBQOSA-N 3 2 297.531 3.302 20 0 CGADLP CC[NH+](CC)Cc1c(Br)cccc1NC=[NH2+] ZINC001167871410 807264468 /nfs/dbraw/zinc/26/44/68/807264468.db2.gz NZPWEKLHICBYKS-UHFFFAOYSA-N 2 2 284.201 3.310 20 0 CGADLP C[C@@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1F ZINC001167985128 807291452 /nfs/dbraw/zinc/29/14/52/807291452.db2.gz VYWKCUFJWXWGDV-BFZKSOEOSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1F ZINC001167985128 807291458 /nfs/dbraw/zinc/29/14/58/807291458.db2.gz VYWKCUFJWXWGDV-BFZKSOEOSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1F ZINC001167985128 807291464 /nfs/dbraw/zinc/29/14/64/807291464.db2.gz VYWKCUFJWXWGDV-BFZKSOEOSA-N 2 2 298.421 3.164 20 0 CGADLP C[C@@]1(F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1F ZINC001167985128 807291469 /nfs/dbraw/zinc/29/14/69/807291469.db2.gz VYWKCUFJWXWGDV-BFZKSOEOSA-N 2 2 298.421 3.164 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168439238 807416437 /nfs/dbraw/zinc/41/64/37/807416437.db2.gz RNMOGXXMZOKPMX-SFHVURJKSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168439238 807416444 /nfs/dbraw/zinc/41/64/44/807416444.db2.gz RNMOGXXMZOKPMX-SFHVURJKSA-N 2 2 290.426 3.099 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168454603 807421697 /nfs/dbraw/zinc/42/16/97/807421697.db2.gz SEQPAWYYBGAMEN-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168454603 807421701 /nfs/dbraw/zinc/42/17/01/807421701.db2.gz SEQPAWYYBGAMEN-AWEZNQCLSA-N 2 2 266.404 3.078 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001168468678 807427768 /nfs/dbraw/zinc/42/77/68/807427768.db2.gz PHGGAERGJFDKDE-YOEHRIQHSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001168468678 807427772 /nfs/dbraw/zinc/42/77/72/807427772.db2.gz PHGGAERGJFDKDE-YOEHRIQHSA-N 2 2 292.442 3.467 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258599046 807498352 /nfs/dbraw/zinc/49/83/52/807498352.db2.gz QNDMFQLWYDNEKG-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258599046 807498355 /nfs/dbraw/zinc/49/83/55/807498355.db2.gz QNDMFQLWYDNEKG-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001169069969 807566529 /nfs/dbraw/zinc/56/65/29/807566529.db2.gz LUBKLPRCSOBBOV-QGZVFWFLSA-N 2 2 285.435 3.210 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123087 807582677 /nfs/dbraw/zinc/58/26/77/807582677.db2.gz ITZHJPXNFRHVFV-OVZMXSCWSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3c1c(F)ccc3F)C2 ZINC001169123087 807582681 /nfs/dbraw/zinc/58/26/81/807582681.db2.gz ITZHJPXNFRHVFV-OVZMXSCWSA-N 2 2 292.373 3.167 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152594 807594771 /nfs/dbraw/zinc/59/47/71/807594771.db2.gz COVUATIEFFKLPK-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152594 807594775 /nfs/dbraw/zinc/59/47/75/807594775.db2.gz COVUATIEFFKLPK-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152594 807594777 /nfs/dbraw/zinc/59/47/77/807594777.db2.gz COVUATIEFFKLPK-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152594 807594781 /nfs/dbraw/zinc/59/47/81/807594781.db2.gz COVUATIEFFKLPK-QDMKHBRRSA-N 2 2 290.838 3.323 20 0 CGADLP CC1(C)C[C@@H]([NH2+]c2ccc(O)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169154869 807595758 /nfs/dbraw/zinc/59/57/58/807595758.db2.gz ZBRCFQZHWNDCLE-CZUORRHYSA-N 2 2 262.397 3.348 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3cn2)CC1 ZINC001258766345 807602561 /nfs/dbraw/zinc/60/25/61/807602561.db2.gz RDIWASXLMPSHRP-UHFFFAOYSA-N 2 2 283.419 3.199 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001258789359 807614275 /nfs/dbraw/zinc/61/42/75/807614275.db2.gz ZSTYNKRLRMOYFM-KGLIPLIRSA-N 2 2 250.386 3.265 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001258813350 807630915 /nfs/dbraw/zinc/63/09/15/807630915.db2.gz JZHXEJZIIIUECG-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001258813350 807630923 /nfs/dbraw/zinc/63/09/23/807630923.db2.gz JZHXEJZIIIUECG-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](C)C2)C1 ZINC001258830203 807645817 /nfs/dbraw/zinc/64/58/17/807645817.db2.gz KTDZCDOWXPRUOJ-VNQPRFMTSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H]2CCC[C@@H](C)C2)C1 ZINC001258830203 807645821 /nfs/dbraw/zinc/64/58/21/807645821.db2.gz KTDZCDOWXPRUOJ-VNQPRFMTSA-N 2 2 274.408 3.422 20 0 CGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169568122 807668366 /nfs/dbraw/zinc/66/83/66/807668366.db2.gz RDIVTJHNDUVUNQ-SECBINFHSA-N 2 2 298.312 3.136 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258903843 807670886 /nfs/dbraw/zinc/67/08/86/807670886.db2.gz BZKZRMWCFIWSGX-SJORKVTESA-N 3 2 297.531 3.207 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258903843 807670891 /nfs/dbraw/zinc/67/08/91/807670891.db2.gz BZKZRMWCFIWSGX-SJORKVTESA-N 3 2 297.531 3.207 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169718075 807697733 /nfs/dbraw/zinc/69/77/33/807697733.db2.gz NUNPVHUYLLLMEI-UHFFFAOYSA-N 2 2 290.386 3.154 20 0 CGADLP COCC[N@H+]([C@@H](C)CCCC(C)C)C1CC[NH+](C)CC1 ZINC001170082165 807750566 /nfs/dbraw/zinc/75/05/66/807750566.db2.gz JGKHXJSALYQGPA-INIZCTEOSA-N 2 2 284.488 3.244 20 0 CGADLP COCC[N@@H+]([C@@H](C)CCCC(C)C)C1CC[NH+](C)CC1 ZINC001170082165 807750571 /nfs/dbraw/zinc/75/05/71/807750571.db2.gz JGKHXJSALYQGPA-INIZCTEOSA-N 2 2 284.488 3.244 20 0 CGADLP C[C@H]1CC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001170120524 807766258 /nfs/dbraw/zinc/76/62/58/807766258.db2.gz IIBVSGDSDHJEDA-WFASDCNBSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC001170244973 807800924 /nfs/dbraw/zinc/80/09/24/807800924.db2.gz PHSMAHJQSGYZNS-CQSZACIVSA-N 2 2 280.843 3.347 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCc3cccc(Cl)c3C2)c1CC[NH3+] ZINC001170898328 807928377 /nfs/dbraw/zinc/92/83/77/807928377.db2.gz VTJVKPAZPMYHGT-CYBMUJFWSA-N 2 2 289.810 3.076 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171095804 807982411 /nfs/dbraw/zinc/98/24/11/807982411.db2.gz RJTJQCFQKPSJIK-CXAGYDPISA-N 2 2 292.854 3.271 20 0 CGADLP [NH3+]Cc1ccc2cn(-c3cccc(C4=[NH+]CCC4)c3)nc2c1 ZINC001171323020 808026643 /nfs/dbraw/zinc/02/66/43/808026643.db2.gz GHKSBUNBQDEFSR-UHFFFAOYSA-N 2 2 290.370 3.067 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C2 ZINC001171549806 808091471 /nfs/dbraw/zinc/09/14/71/808091471.db2.gz OYNRQVUWSYMVBR-SFHVURJKSA-N 2 2 286.463 3.174 20 0 CGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccco2)CC1(C)C ZINC001171618383 808105723 /nfs/dbraw/zinc/10/57/23/808105723.db2.gz WKJIGBTXUGOWDW-UHFFFAOYSA-N 2 2 250.386 3.021 20 0 CGADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171670265 808119357 /nfs/dbraw/zinc/11/93/57/808119357.db2.gz KBHJLCFJFYYXRJ-HNNXBMFYSA-N 2 2 283.419 3.337 20 0 CGADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171670265 808119361 /nfs/dbraw/zinc/11/93/61/808119361.db2.gz KBHJLCFJFYYXRJ-HNNXBMFYSA-N 2 2 283.419 3.337 20 0 CGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001172118509 808180807 /nfs/dbraw/zinc/18/08/07/808180807.db2.gz RDULXYQHLCQDRY-BJWYYQGGSA-N 2 2 288.410 3.420 20 0 CGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001172118509 808180812 /nfs/dbraw/zinc/18/08/12/808180812.db2.gz RDULXYQHLCQDRY-BJWYYQGGSA-N 2 2 288.410 3.420 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172335489 808237981 /nfs/dbraw/zinc/23/79/81/808237981.db2.gz JYDOLUHYXPGSRY-PMPSAXMXSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172335489 808237984 /nfs/dbraw/zinc/23/79/84/808237984.db2.gz JYDOLUHYXPGSRY-PMPSAXMXSA-N 2 2 284.488 3.290 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172368565 808263089 /nfs/dbraw/zinc/26/30/89/808263089.db2.gz JFLDWRBWKGMFJM-JJXSEGSLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172368565 808263094 /nfs/dbraw/zinc/26/30/94/808263094.db2.gz JFLDWRBWKGMFJM-JJXSEGSLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383798 808277111 /nfs/dbraw/zinc/27/71/11/808277111.db2.gz RYPUSNGXUWNSSU-NRKLIOEPSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H]1C ZINC001172383798 808277119 /nfs/dbraw/zinc/27/71/19/808277119.db2.gz RYPUSNGXUWNSSU-NRKLIOEPSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546736 808375554 /nfs/dbraw/zinc/37/55/54/808375554.db2.gz PQIVYXFXIDRJMT-KBAYOESNSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+](C)C)CC1 ZINC001172864230 808468033 /nfs/dbraw/zinc/46/80/33/808468033.db2.gz QACPCVBNNVMDFF-LBPRGKRZSA-N 2 2 298.833 3.436 20 0 CGADLP CCCOC1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173089552 808505633 /nfs/dbraw/zinc/50/56/33/808505633.db2.gz MZITUPUMTFWQHC-AOCRQIFASA-N 2 2 296.499 3.434 20 0 CGADLP CCCOC1CCC([N@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001173099479 808507843 /nfs/dbraw/zinc/50/78/43/808507843.db2.gz IEAPSUKVICXYRR-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP CCCOC1CCC([N@@H+](CC)C2CC[NH+](C)CC2)CC1 ZINC001173099479 808507848 /nfs/dbraw/zinc/50/78/48/808507848.db2.gz IEAPSUKVICXYRR-UHFFFAOYSA-N 2 2 282.472 3.140 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC001173236627 808546376 /nfs/dbraw/zinc/54/63/76/808546376.db2.gz BDHRFHFINUWZMY-MAUKXSAKSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC001173236627 808546380 /nfs/dbraw/zinc/54/63/80/808546380.db2.gz BDHRFHFINUWZMY-MAUKXSAKSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001173248770 808557085 /nfs/dbraw/zinc/55/70/85/808557085.db2.gz IEQULOWAKPQCNK-MAUKXSAKSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001173248770 808557092 /nfs/dbraw/zinc/55/70/92/808557092.db2.gz IEQULOWAKPQCNK-MAUKXSAKSA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001173272491 808575932 /nfs/dbraw/zinc/57/59/32/808575932.db2.gz KDGHRQYCISOSHR-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001173272491 808575937 /nfs/dbraw/zinc/57/59/37/808575937.db2.gz KDGHRQYCISOSHR-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP CCSC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173295884 808595180 /nfs/dbraw/zinc/59/51/80/808595180.db2.gz OXBDLMOXRROWIS-CQSZACIVSA-N 2 2 293.480 3.029 20 0 CGADLP CCc1cccc(Nc2ccccc2C[NH+](C)C)[nH+]1 ZINC001173929809 808767804 /nfs/dbraw/zinc/76/78/04/808767804.db2.gz IWBLEEQNBQJVSV-UHFFFAOYSA-N 2 2 255.365 3.449 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC001275137248 808915170 /nfs/dbraw/zinc/91/51/70/808915170.db2.gz VBCONTYUIWEUEI-GOSISDBHSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[NH+]2CCC[C@@]3(CCC[N@H+](CC4CC4)C3)C2)c1 ZINC001275137248 808915175 /nfs/dbraw/zinc/91/51/75/808915175.db2.gz VBCONTYUIWEUEI-GOSISDBHSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC[C@@]3(CCC[NH+](CC4CC4)C3)C2)c1 ZINC001275137248 808915180 /nfs/dbraw/zinc/91/51/80/808915180.db2.gz VBCONTYUIWEUEI-GOSISDBHSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC4CC4)C3)C2)c1 ZINC001275137248 808915186 /nfs/dbraw/zinc/91/51/86/808915186.db2.gz VBCONTYUIWEUEI-GOSISDBHSA-N 2 2 287.451 3.103 20 0 CGADLP Cc1sc2ccccc2c1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276091867 808987346 /nfs/dbraw/zinc/98/73/46/808987346.db2.gz DJRHIZDCZKPGDT-UHFFFAOYSA-N 2 2 286.444 3.347 20 0 CGADLP Cc1sc2ccccc2c1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276091867 808987349 /nfs/dbraw/zinc/98/73/49/808987349.db2.gz DJRHIZDCZKPGDT-UHFFFAOYSA-N 2 2 286.444 3.347 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(C[NH+](C3CC3)C2)C1 ZINC001277921447 809105182 /nfs/dbraw/zinc/10/51/82/809105182.db2.gz DDONSVHUQHIFAG-OAHLLOKOSA-N 2 2 264.457 3.373 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(C[NH+](C3CC3)C2)C1 ZINC001277921447 809105184 /nfs/dbraw/zinc/10/51/84/809105184.db2.gz DDONSVHUQHIFAG-OAHLLOKOSA-N 2 2 264.457 3.373 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001177200236 809787111 /nfs/dbraw/zinc/78/71/11/809787111.db2.gz USQQYCDJSVAIFV-RBSFLKMASA-N 2 2 272.502 3.227 20 0 CGADLP c1nc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2s1 ZINC001177303223 809793164 /nfs/dbraw/zinc/79/31/64/809793164.db2.gz GZMWGRJBRMFWFG-ZFWWWQNUSA-N 2 2 287.432 3.013 20 0 CGADLP c1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2s1 ZINC001177303223 809793165 /nfs/dbraw/zinc/79/31/65/809793165.db2.gz GZMWGRJBRMFWFG-ZFWWWQNUSA-N 2 2 287.432 3.013 20 0 CGADLP CC(C)c1cnc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC001177416848 809796922 /nfs/dbraw/zinc/79/69/22/809796922.db2.gz XVNKIERHUIXBSU-AWEZNQCLSA-N 2 2 295.496 3.478 20 0 CGADLP c1ccc(NCCC[NH2+]C2CCc3ccccc3CC2)[nH+]c1 ZINC001177937511 809833644 /nfs/dbraw/zinc/83/36/44/809833644.db2.gz MLOWVJUFGKHPLP-UHFFFAOYSA-N 2 2 295.430 3.421 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(F)c1 ZINC001179081773 809903882 /nfs/dbraw/zinc/90/38/82/809903882.db2.gz OFJLTPCGPYZXOL-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)c(F)c1 ZINC001179081773 809903885 /nfs/dbraw/zinc/90/38/85/809903885.db2.gz OFJLTPCGPYZXOL-UHFFFAOYSA-N 2 2 266.404 3.202 20 0 CGADLP Cc1ccncc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001179438588 809922428 /nfs/dbraw/zinc/92/24/28/809922428.db2.gz XLVPUYFIFAXQQK-SFHVURJKSA-N 2 2 292.386 3.118 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001181244501 810043374 /nfs/dbraw/zinc/04/33/74/810043374.db2.gz UFRURZLCEKZTME-HRCADAONSA-N 2 2 264.457 3.277 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001181244501 810043377 /nfs/dbraw/zinc/04/33/77/810043377.db2.gz UFRURZLCEKZTME-HRCADAONSA-N 2 2 264.457 3.277 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC001181436224 810053024 /nfs/dbraw/zinc/05/30/24/810053024.db2.gz NKMWQBPDEQZZLC-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC001181436224 810053026 /nfs/dbraw/zinc/05/30/26/810053026.db2.gz NKMWQBPDEQZZLC-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918013 810130754 /nfs/dbraw/zinc/13/07/54/810130754.db2.gz HHUDJPZJYLIEFC-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182918013 810130759 /nfs/dbraw/zinc/13/07/59/810130759.db2.gz HHUDJPZJYLIEFC-ULQDDVLXSA-N 2 2 264.457 3.418 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(Sc2ccccc2)C1 ZINC001184155241 810179618 /nfs/dbraw/zinc/17/96/18/810179618.db2.gz ZVBIXRZUXLZFBW-CKDBGZEDSA-N 2 2 290.476 3.384 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(Sc2ccccc2)C1 ZINC001184155241 810179620 /nfs/dbraw/zinc/17/96/20/810179620.db2.gz ZVBIXRZUXLZFBW-CKDBGZEDSA-N 2 2 290.476 3.384 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001186602557 810350189 /nfs/dbraw/zinc/35/01/89/810350189.db2.gz OOPFDZXPDIICJK-CYBMUJFWSA-N 2 2 278.444 3.134 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001186602557 810350195 /nfs/dbraw/zinc/35/01/95/810350195.db2.gz OOPFDZXPDIICJK-CYBMUJFWSA-N 2 2 278.444 3.134 20 0 CGADLP C[NH+](C)CCCn1cc(Nc2cccc3cc[nH+]cc32)cn1 ZINC001187117504 810385973 /nfs/dbraw/zinc/38/59/73/810385973.db2.gz DBJMGEDBPZISCU-UHFFFAOYSA-N 2 2 295.390 3.127 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199295224 811571723 /nfs/dbraw/zinc/57/17/23/811571723.db2.gz GPXZDFIOGWQIMA-OVYGPGRDSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[N@H+]1CCCC[C@H]1C ZINC001199295224 811571725 /nfs/dbraw/zinc/57/17/25/811571725.db2.gz GPXZDFIOGWQIMA-OVYGPGRDSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC001200291533 811670442 /nfs/dbraw/zinc/67/04/42/811670442.db2.gz DHKCTIZZOCNNRA-HOTGVXAUSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC001200291533 811670446 /nfs/dbraw/zinc/67/04/46/811670446.db2.gz DHKCTIZZOCNNRA-HOTGVXAUSA-N 2 2 274.452 3.328 20 0 CGADLP C[NH+](C)C1(C[NH2+]CC2CCCCC2)Cc2ccccc2C1 ZINC001200724090 811737975 /nfs/dbraw/zinc/73/79/75/811737975.db2.gz RGMCXMROHXORBZ-UHFFFAOYSA-N 2 2 286.463 3.256 20 0 CGADLP CSc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001200901998 811762754 /nfs/dbraw/zinc/76/27/54/811762754.db2.gz OXEREHCMOKAUFB-UHFFFAOYSA-N 2 2 287.432 3.395 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCCCC4)C[C@H]3C2)nc1 ZINC001201388948 811823078 /nfs/dbraw/zinc/82/30/78/811823078.db2.gz GDTPWZRNSPBKLT-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]3C2)nc1 ZINC001201388948 811823090 /nfs/dbraw/zinc/82/30/90/811823090.db2.gz GDTPWZRNSPBKLT-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)nc1 ZINC001201388948 811823097 /nfs/dbraw/zinc/82/30/97/811823097.db2.gz GDTPWZRNSPBKLT-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCCCC4)C[C@H]3C2)nc1 ZINC001201388948 811823106 /nfs/dbraw/zinc/82/31/06/811823106.db2.gz GDTPWZRNSPBKLT-HDICACEKSA-N 2 2 299.462 3.026 20 0 CGADLP CCC[C@@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201564295 811906110 /nfs/dbraw/zinc/90/61/10/811906110.db2.gz XYBZEYHQPNTKAX-UKRRQHHQSA-N 2 2 262.397 3.279 20 0 CGADLP CCC[C@@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201564295 811906112 /nfs/dbraw/zinc/90/61/12/811906112.db2.gz XYBZEYHQPNTKAX-UKRRQHHQSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2[C@H](c3ccccc3)C2(C)C)n1C ZINC001202750751 812165615 /nfs/dbraw/zinc/16/56/15/812165615.db2.gz ZGXZTFXFRQYCOR-IRXDYDNUSA-N 2 2 283.419 3.258 20 0 CGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1C ZINC001203723770 812441935 /nfs/dbraw/zinc/44/19/35/812441935.db2.gz PYHOTIFXNGYWMN-UHFFFAOYSA-N 2 2 299.418 3.346 20 0 CGADLP CC[N@H+](Cc1cc(C)c(OC)cc1C)C1CC[NH+](C)CC1 ZINC001203754588 812455281 /nfs/dbraw/zinc/45/52/81/812455281.db2.gz OALUNKIBLYSTSO-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(OC)cc1C)C1CC[NH+](C)CC1 ZINC001203754588 812455285 /nfs/dbraw/zinc/45/52/85/812455285.db2.gz OALUNKIBLYSTSO-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP Nc1ccc[nH+]c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204086699 812545091 /nfs/dbraw/zinc/54/50/91/812545091.db2.gz CMRQUVWWTAQKCY-UHFFFAOYSA-N 2 2 282.391 3.393 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(C)c1 ZINC001204356616 812619134 /nfs/dbraw/zinc/61/91/34/812619134.db2.gz CDGZOFLGFFICLT-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)c(C)c1 ZINC001204356616 812619138 /nfs/dbraw/zinc/61/91/38/812619138.db2.gz CDGZOFLGFFICLT-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC(C)(C)[NH2+]Cc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001204690579 812709397 /nfs/dbraw/zinc/70/93/97/812709397.db2.gz BZPMEARLOLGPKK-UHFFFAOYSA-N 2 2 299.418 3.248 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2-c2ccccc2)CC12CC2 ZINC001204903754 812769254 /nfs/dbraw/zinc/76/92/54/812769254.db2.gz CVBYKOWGXSZFQG-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CC12CC2 ZINC001204903754 812769257 /nfs/dbraw/zinc/76/92/57/812769257.db2.gz CVBYKOWGXSZFQG-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CC12CC2 ZINC001204903969 812771426 /nfs/dbraw/zinc/77/14/26/812771426.db2.gz IHKPTUUHAUCGHF-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)CC12CC2 ZINC001204903969 812771430 /nfs/dbraw/zinc/77/14/30/812771430.db2.gz IHKPTUUHAUCGHF-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204912038 812773383 /nfs/dbraw/zinc/77/33/83/812773383.db2.gz PFXGGQSTSVCZQN-QGZVFWFLSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204912038 812773386 /nfs/dbraw/zinc/77/33/86/812773386.db2.gz PFXGGQSTSVCZQN-QGZVFWFLSA-N 2 2 288.435 3.014 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001204937832 812785674 /nfs/dbraw/zinc/78/56/74/812785674.db2.gz HIBDGWURBVHMHA-HNNXBMFYSA-N 2 2 266.816 3.086 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001204937832 812785678 /nfs/dbraw/zinc/78/56/78/812785678.db2.gz HIBDGWURBVHMHA-HNNXBMFYSA-N 2 2 266.816 3.086 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204938871 812786887 /nfs/dbraw/zinc/78/68/87/812786887.db2.gz NZVYCVMJPUSVDN-QGZVFWFLSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204938871 812786893 /nfs/dbraw/zinc/78/68/93/812786893.db2.gz NZVYCVMJPUSVDN-QGZVFWFLSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC001205183200 812900543 /nfs/dbraw/zinc/90/05/43/812900543.db2.gz XFDGSCGLEHNEKT-CXAGYDPISA-N 2 2 293.414 3.253 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)c1ccccc1n2C ZINC001205183200 812900549 /nfs/dbraw/zinc/90/05/49/812900549.db2.gz XFDGSCGLEHNEKT-CXAGYDPISA-N 2 2 293.414 3.253 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205273447 812926106 /nfs/dbraw/zinc/92/61/06/812926106.db2.gz LBRJQZDUJKVECD-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205273447 812926110 /nfs/dbraw/zinc/92/61/10/812926110.db2.gz LBRJQZDUJKVECD-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP CC(C)O[C@@H](C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001205709288 813056736 /nfs/dbraw/zinc/05/67/36/813056736.db2.gz WUGUEPWTXDJZOQ-KRWDZBQOSA-N 2 2 278.440 3.036 20 0 CGADLP CC(C)O[C@@H](C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001205709288 813056746 /nfs/dbraw/zinc/05/67/46/813056746.db2.gz WUGUEPWTXDJZOQ-KRWDZBQOSA-N 2 2 278.440 3.036 20 0 CGADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001205729948 813061992 /nfs/dbraw/zinc/06/19/92/813061992.db2.gz WLZKZGRMKFQJEN-KBPBESRZSA-N 2 2 280.481 3.269 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205816561 813094144 /nfs/dbraw/zinc/09/41/44/813094144.db2.gz NRPKQLIWHTWJQH-PBHICJAKSA-N 2 2 285.435 3.220 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc21 ZINC001205816561 813094150 /nfs/dbraw/zinc/09/41/50/813094150.db2.gz NRPKQLIWHTWJQH-PBHICJAKSA-N 2 2 285.435 3.220 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc3ccccc3s2)C1 ZINC001205816916 813094985 /nfs/dbraw/zinc/09/49/85/813094985.db2.gz PAEXCUAMYPLYDY-TZMCWYRMSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001205816916 813094992 /nfs/dbraw/zinc/09/49/92/813094992.db2.gz PAEXCUAMYPLYDY-TZMCWYRMSA-N 2 2 274.433 3.461 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001205922825 813133771 /nfs/dbraw/zinc/13/37/71/813133771.db2.gz BEVYXQJPQPVQNT-CQSZACIVSA-N 2 2 266.816 3.086 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001205922825 813133777 /nfs/dbraw/zinc/13/37/77/813133777.db2.gz BEVYXQJPQPVQNT-CQSZACIVSA-N 2 2 266.816 3.086 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037799 813176392 /nfs/dbraw/zinc/17/63/92/813176392.db2.gz XKNWMXBZTZRXNF-RDTXWAMCSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206037799 813176397 /nfs/dbraw/zinc/17/63/97/813176397.db2.gz XKNWMXBZTZRXNF-RDTXWAMCSA-N 2 2 298.430 3.408 20 0 CGADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1c(F)cccc1Cl ZINC001206142292 813211857 /nfs/dbraw/zinc/21/18/57/813211857.db2.gz KDQPZECANPEIQS-UHFFFAOYSA-N 2 2 286.822 3.342 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001206335479 813294037 /nfs/dbraw/zinc/29/40/37/813294037.db2.gz FBHRRGKJZBWTHL-OAHLLOKOSA-N 2 2 284.806 3.035 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC001206335479 813294042 /nfs/dbraw/zinc/29/40/42/813294042.db2.gz FBHRRGKJZBWTHL-OAHLLOKOSA-N 2 2 284.806 3.035 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCCC2CCCCC2)C1 ZINC001206338201 813294574 /nfs/dbraw/zinc/29/45/74/813294574.db2.gz YBYFOFIQNKKXSP-MRXNPFEDSA-N 2 2 270.436 3.500 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCCC2CCCCC2)C1 ZINC001206338201 813294578 /nfs/dbraw/zinc/29/45/78/813294578.db2.gz YBYFOFIQNKKXSP-MRXNPFEDSA-N 2 2 270.436 3.500 20 0 CGADLP CCOc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1C ZINC001206371725 813305306 /nfs/dbraw/zinc/30/53/06/813305306.db2.gz VRXCNMWBJQRHFR-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CCOc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)ccc1C ZINC001206371725 813305314 /nfs/dbraw/zinc/30/53/14/813305314.db2.gz VRXCNMWBJQRHFR-QGZVFWFLSA-N 2 2 294.414 3.047 20 0 CGADLP CC(C)[N@H+](Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206580100 813362377 /nfs/dbraw/zinc/36/23/77/813362377.db2.gz CCQAWLDSXYPMFI-ZDUSSCGKSA-N 2 2 282.378 3.317 20 0 CGADLP CC(C)[N@@H+](Cc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206580100 813362383 /nfs/dbraw/zinc/36/23/83/813362383.db2.gz CCQAWLDSXYPMFI-ZDUSSCGKSA-N 2 2 282.378 3.317 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206767595 813429904 /nfs/dbraw/zinc/42/99/04/813429904.db2.gz CFMFZPPPJNWFBV-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206767595 813429908 /nfs/dbraw/zinc/42/99/08/813429908.db2.gz CFMFZPPPJNWFBV-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1C ZINC001207059090 813477125 /nfs/dbraw/zinc/47/71/25/813477125.db2.gz SUPXXVVJXDAJRW-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1C ZINC001207059090 813477130 /nfs/dbraw/zinc/47/71/30/813477130.db2.gz SUPXXVVJXDAJRW-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001207764136 813648704 /nfs/dbraw/zinc/64/87/04/813648704.db2.gz ZBDAHHSICLLEGG-INIZCTEOSA-N 2 2 272.436 3.038 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC001207764136 813648709 /nfs/dbraw/zinc/64/87/09/813648709.db2.gz ZBDAHHSICLLEGG-INIZCTEOSA-N 2 2 272.436 3.038 20 0 CGADLP F[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935456 813904518 /nfs/dbraw/zinc/90/45/18/813904518.db2.gz JLLCAGDIZYULDL-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935456 813904519 /nfs/dbraw/zinc/90/45/19/813904519.db2.gz JLLCAGDIZYULDL-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208935456 813904523 /nfs/dbraw/zinc/90/45/23/813904523.db2.gz JLLCAGDIZYULDL-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208935456 813904527 /nfs/dbraw/zinc/90/45/27/813904527.db2.gz JLLCAGDIZYULDL-ZWKOTPCHSA-N 2 2 290.426 3.333 20 0 CGADLP COC(C)(C)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209409931 814017207 /nfs/dbraw/zinc/01/72/07/814017207.db2.gz FJBMPFABKIZKTI-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP COC(C)(C)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209409931 814017213 /nfs/dbraw/zinc/01/72/13/814017213.db2.gz FJBMPFABKIZKTI-UHFFFAOYSA-N 2 2 287.407 3.119 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC001209578225 814088928 /nfs/dbraw/zinc/08/89/28/814088928.db2.gz JGAZWEDPCUVGRL-UHFFFAOYSA-N 2 2 280.375 3.141 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC001209578225 814088936 /nfs/dbraw/zinc/08/89/36/814088936.db2.gz JGAZWEDPCUVGRL-UHFFFAOYSA-N 2 2 280.375 3.141 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001209736120 814124319 /nfs/dbraw/zinc/12/43/19/814124319.db2.gz DCGUCONVLVYXKZ-UHFFFAOYSA-N 2 2 296.418 3.224 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001209736120 814124332 /nfs/dbraw/zinc/12/43/32/814124332.db2.gz DCGUCONVLVYXKZ-UHFFFAOYSA-N 2 2 296.418 3.224 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC001209737300 814124965 /nfs/dbraw/zinc/12/49/65/814124965.db2.gz JUKHDWUDRZZRSM-INIZCTEOSA-N 2 2 259.397 3.039 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001209737300 814124968 /nfs/dbraw/zinc/12/49/68/814124968.db2.gz JUKHDWUDRZZRSM-INIZCTEOSA-N 2 2 259.397 3.039 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(-c3cccc(C)c3)cc2)C1 ZINC001210561278 814526394 /nfs/dbraw/zinc/52/63/94/814526394.db2.gz KHCKDWHGXWXQHC-UHFFFAOYSA-N 2 2 280.415 3.313 20 0 CGADLP COc1cc(Nc2c[nH+]cn2Cc2ccccc2)cc(C)[nH+]1 ZINC001216551247 815857139 /nfs/dbraw/zinc/85/71/39/815857139.db2.gz ZGTBPXJEQVQUEE-UHFFFAOYSA-N 2 2 294.358 3.387 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222190631 816370559 /nfs/dbraw/zinc/37/05/59/816370559.db2.gz DGSRXJHNHVLDLN-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@]23CCC[NH2+]C3)c2ccccc12 ZINC001222190631 816370568 /nfs/dbraw/zinc/37/05/68/816370568.db2.gz DGSRXJHNHVLDLN-LJQANCHMSA-N 2 2 280.415 3.476 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237788 816382893 /nfs/dbraw/zinc/38/28/93/816382893.db2.gz TUYXDCLRUFALKX-INIZCTEOSA-N 2 2 276.449 3.127 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237788 816382902 /nfs/dbraw/zinc/38/29/02/816382902.db2.gz TUYXDCLRUFALKX-INIZCTEOSA-N 2 2 276.449 3.127 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)ccc2o1 ZINC001222244210 816384154 /nfs/dbraw/zinc/38/41/54/816384154.db2.gz VGUIMSCXRLSDFF-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)ccc2o1 ZINC001222244210 816384159 /nfs/dbraw/zinc/38/41/59/816384159.db2.gz VGUIMSCXRLSDFF-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP CCOc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)ccc1C ZINC001222259478 816388703 /nfs/dbraw/zinc/38/87/03/816388703.db2.gz QSGZUYITFVJSJF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP CCOc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)ccc1C ZINC001222259478 816388710 /nfs/dbraw/zinc/38/87/10/816388710.db2.gz QSGZUYITFVJSJF-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001231417983 818093686 /nfs/dbraw/zinc/09/36/86/818093686.db2.gz MAPPJNRKGWUPSC-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001231417983 818093694 /nfs/dbraw/zinc/09/36/94/818093694.db2.gz MAPPJNRKGWUPSC-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1C ZINC001231485011 818109700 /nfs/dbraw/zinc/10/97/00/818109700.db2.gz GLOUBXTZYJRWLZ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1C ZINC001231485011 818109702 /nfs/dbraw/zinc/10/97/02/818109702.db2.gz GLOUBXTZYJRWLZ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1C ZINC001231485011 818109707 /nfs/dbraw/zinc/10/97/07/818109707.db2.gz GLOUBXTZYJRWLZ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1C ZINC001231485011 818109709 /nfs/dbraw/zinc/10/97/09/818109709.db2.gz GLOUBXTZYJRWLZ-AEFFLSMTSA-N 2 2 272.436 3.138 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001231803619 818178755 /nfs/dbraw/zinc/17/87/55/818178755.db2.gz CQWJGENFCABIMY-UHFFFAOYSA-N 2 2 290.451 3.390 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232423903 818346029 /nfs/dbraw/zinc/34/60/29/818346029.db2.gz YPQWCLYOUDPQNI-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)c(C)c(F)c2)CC1 ZINC001232423903 818346038 /nfs/dbraw/zinc/34/60/38/818346038.db2.gz YPQWCLYOUDPQNI-UHFFFAOYSA-N 2 2 282.378 3.189 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)cccc1F ZINC001232486684 818368714 /nfs/dbraw/zinc/36/87/14/818368714.db2.gz LRHGFNNNBQWXTA-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cccc1F ZINC001232486684 818368717 /nfs/dbraw/zinc/36/87/17/818368717.db2.gz LRHGFNNNBQWXTA-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004916 818975829 /nfs/dbraw/zinc/97/58/29/818975829.db2.gz VENRRQOQLOQLBD-OALUTQOASA-N 2 2 278.399 3.290 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004916 818975837 /nfs/dbraw/zinc/97/58/37/818975837.db2.gz VENRRQOQLOQLBD-OALUTQOASA-N 2 2 278.399 3.290 20 0 CGADLP Clc1sc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235025959 818983187 /nfs/dbraw/zinc/98/31/87/818983187.db2.gz HLIAPWUBZUESQG-UHFFFAOYSA-N 2 2 292.835 3.350 20 0 CGADLP Clc1sc(C[N@H+]2CCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235025959 818983197 /nfs/dbraw/zinc/98/31/97/818983197.db2.gz HLIAPWUBZUESQG-UHFFFAOYSA-N 2 2 292.835 3.350 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235119183 819010029 /nfs/dbraw/zinc/01/00/29/819010029.db2.gz YDGUAMOHHPGZOP-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235119183 819010034 /nfs/dbraw/zinc/01/00/34/819010034.db2.gz YDGUAMOHHPGZOP-IBGZPJMESA-N 2 2 297.446 3.379 20 0 CGADLP Fc1ccccc1CCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169503 819022333 /nfs/dbraw/zinc/02/23/33/819022333.db2.gz BDIQWSDZNMRZLP-SFHVURJKSA-N 2 2 290.426 3.366 20 0 CGADLP Fc1ccccc1CCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169503 819022340 /nfs/dbraw/zinc/02/23/40/819022340.db2.gz BDIQWSDZNMRZLP-SFHVURJKSA-N 2 2 290.426 3.366 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248687 819047709 /nfs/dbraw/zinc/04/77/09/819047709.db2.gz YOIBFARCIBMUML-IEBWSBKVSA-N 2 2 296.414 3.162 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248687 819047715 /nfs/dbraw/zinc/04/77/15/819047715.db2.gz YOIBFARCIBMUML-IEBWSBKVSA-N 2 2 296.414 3.162 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1C(F)(F)F ZINC001235265258 819057766 /nfs/dbraw/zinc/05/77/66/819057766.db2.gz CKAQYRNQIFXPTM-ZFWWWQNUSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1C(F)(F)F ZINC001235265258 819057771 /nfs/dbraw/zinc/05/77/71/819057771.db2.gz CKAQYRNQIFXPTM-ZFWWWQNUSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235343150 819073631 /nfs/dbraw/zinc/07/36/31/819073631.db2.gz STQUOHVTQMASQJ-MRXNPFEDSA-N 2 2 268.404 3.332 20 0 CGADLP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001235343150 819073635 /nfs/dbraw/zinc/07/36/35/819073635.db2.gz STQUOHVTQMASQJ-MRXNPFEDSA-N 2 2 268.404 3.332 20 0 CGADLP C[N@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCC[NH2+]C1 ZINC001235342701 819073820 /nfs/dbraw/zinc/07/38/20/819073820.db2.gz OUNHPZNYBKUUPE-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1c[nH]c2c1cccc2Cl)[C@H]1CCC[NH2+]C1 ZINC001235342701 819073824 /nfs/dbraw/zinc/07/38/24/819073824.db2.gz OUNHPZNYBKUUPE-LBPRGKRZSA-N 2 2 277.799 3.005 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]2c2ccccc2F)CO1 ZINC001235719512 819151353 /nfs/dbraw/zinc/15/13/53/819151353.db2.gz VPGCTSMSAXNSHN-BBRMVZONSA-N 2 2 292.398 3.077 20 0 CGADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CCC[C@H]2c2ccccc2F)CO1 ZINC001235719512 819151356 /nfs/dbraw/zinc/15/13/56/819151356.db2.gz VPGCTSMSAXNSHN-BBRMVZONSA-N 2 2 292.398 3.077 20 0 CGADLP Clc1cccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885239 819197272 /nfs/dbraw/zinc/19/72/72/819197272.db2.gz UDTQIDAWZYOCSS-VXGBXAGGSA-N 2 2 299.245 3.392 20 0 CGADLP Clc1cccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1Cl ZINC001235885239 819197277 /nfs/dbraw/zinc/19/72/77/819197277.db2.gz UDTQIDAWZYOCSS-VXGBXAGGSA-N 2 2 299.245 3.392 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891987 819200293 /nfs/dbraw/zinc/20/02/93/819200293.db2.gz JFOLBSXVCRLQMD-DZGCQCFKSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235891987 819200300 /nfs/dbraw/zinc/20/03/00/819200300.db2.gz JFOLBSXVCRLQMD-DZGCQCFKSA-N 2 2 284.403 3.160 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235935695 819232299 /nfs/dbraw/zinc/23/22/99/819232299.db2.gz DYTSHVHUPBEETO-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235935695 819232302 /nfs/dbraw/zinc/23/23/02/819232302.db2.gz DYTSHVHUPBEETO-WCQYABFASA-N 2 2 299.245 3.343 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235979872 819256784 /nfs/dbraw/zinc/25/67/84/819256784.db2.gz LPCUAOQMVHHMEJ-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235979872 819256789 /nfs/dbraw/zinc/25/67/89/819256789.db2.gz LPCUAOQMVHHMEJ-SJLPKXTDSA-N 2 2 288.435 3.179 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236051981 819289415 /nfs/dbraw/zinc/28/94/15/819289415.db2.gz YWXXSFOPXFXQIA-HZMBPMFUSA-N 2 2 286.341 3.183 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236051981 819289421 /nfs/dbraw/zinc/28/94/21/819289421.db2.gz YWXXSFOPXFXQIA-HZMBPMFUSA-N 2 2 286.341 3.183 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)c2ccccc2n3C)C[C@@H]1[NH3+] ZINC001236094867 819313885 /nfs/dbraw/zinc/31/38/85/819313885.db2.gz XTPPBRJIONGZQZ-DYVFJYSZSA-N 2 2 293.414 3.111 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)c2ccccc2n3C)C[C@@H]1[NH3+] ZINC001236094867 819313889 /nfs/dbraw/zinc/31/38/89/819313889.db2.gz XTPPBRJIONGZQZ-DYVFJYSZSA-N 2 2 293.414 3.111 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236141872 819342217 /nfs/dbraw/zinc/34/22/17/819342217.db2.gz NKJRQQITJLBMLE-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236141872 819342224 /nfs/dbraw/zinc/34/22/24/819342224.db2.gz NKJRQQITJLBMLE-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CN(c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1)c1ccccc1F ZINC001236173100 819354976 /nfs/dbraw/zinc/35/49/76/819354976.db2.gz KONVGSXJCDLRSR-OAHLLOKOSA-N 2 2 299.393 3.127 20 0 CGADLP CN(c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1)c1ccccc1F ZINC001236173100 819354981 /nfs/dbraw/zinc/35/49/81/819354981.db2.gz KONVGSXJCDLRSR-OAHLLOKOSA-N 2 2 299.393 3.127 20 0 CGADLP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@]1(C)CCC[NH2+]C1 ZINC001236204701 819367576 /nfs/dbraw/zinc/36/75/76/819367576.db2.gz AGSFAIDDNYCBFV-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@]1(C)CCC[NH2+]C1 ZINC001236204701 819367581 /nfs/dbraw/zinc/36/75/81/819367581.db2.gz AGSFAIDDNYCBFV-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@H+](Cc1cccc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216374 819379598 /nfs/dbraw/zinc/37/95/98/819379598.db2.gz JVQXSPYKNBQRNW-MJGOQNOKSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cccc(-c2ccccc2)n1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216374 819379601 /nfs/dbraw/zinc/37/96/01/819379601.db2.gz JVQXSPYKNBQRNW-MJGOQNOKSA-N 2 2 295.430 3.450 20 0 CGADLP c1ccc(CCCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216823 819381804 /nfs/dbraw/zinc/38/18/04/819381804.db2.gz WDHGKQJLOIXLCJ-SFHVURJKSA-N 2 2 272.436 3.226 20 0 CGADLP c1ccc(CCCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216823 819381806 /nfs/dbraw/zinc/38/18/06/819381806.db2.gz WDHGKQJLOIXLCJ-SFHVURJKSA-N 2 2 272.436 3.226 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1C ZINC001236218749 819384678 /nfs/dbraw/zinc/38/46/78/819384678.db2.gz USUJNTNTHRQAFB-SFHVURJKSA-N 2 2 272.436 3.328 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1C ZINC001236218749 819384685 /nfs/dbraw/zinc/38/46/85/819384685.db2.gz USUJNTNTHRQAFB-SFHVURJKSA-N 2 2 272.436 3.328 20 0 CGADLP Fc1ccc(CC[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236237363 819396058 /nfs/dbraw/zinc/39/60/58/819396058.db2.gz QESHKYWHOSNVJN-HNNXBMFYSA-N 2 2 296.817 3.238 20 0 CGADLP Fc1ccc(CC[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236237363 819396066 /nfs/dbraw/zinc/39/60/66/819396066.db2.gz QESHKYWHOSNVJN-HNNXBMFYSA-N 2 2 296.817 3.238 20 0 CGADLP CCOC(C)(C)C[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269625 819411179 /nfs/dbraw/zinc/41/11/79/819411179.db2.gz LUWPEFVFTFLXFM-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CCOC(C)(C)C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269625 819411181 /nfs/dbraw/zinc/41/11/81/819411181.db2.gz LUWPEFVFTFLXFM-KRWDZBQOSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[N@H+](Cc1ccc(Cl)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324420 819425743 /nfs/dbraw/zinc/42/57/43/819425743.db2.gz PPORPMSXWUCICU-OAHLLOKOSA-N 2 2 280.843 3.476 20 0 CGADLP CCC[N@@H+](Cc1ccc(Cl)c(CC)c1)[C@@H]1CC[NH2+]C1 ZINC001236324420 819425744 /nfs/dbraw/zinc/42/57/44/819425744.db2.gz PPORPMSXWUCICU-OAHLLOKOSA-N 2 2 280.843 3.476 20 0 CGADLP CCCC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236394106 819449112 /nfs/dbraw/zinc/44/91/12/819449112.db2.gz NWNZTFTVKDSFOA-INIZCTEOSA-N 2 2 264.388 3.180 20 0 CGADLP CCCC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236394106 819449116 /nfs/dbraw/zinc/44/91/16/819449116.db2.gz NWNZTFTVKDSFOA-INIZCTEOSA-N 2 2 264.388 3.180 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236407916 819456244 /nfs/dbraw/zinc/45/62/44/819456244.db2.gz INONIPLAMMRLQV-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CC[NH2+]C1 ZINC001236407916 819456245 /nfs/dbraw/zinc/45/62/45/819456245.db2.gz INONIPLAMMRLQV-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421889 819469307 /nfs/dbraw/zinc/46/93/07/819469307.db2.gz WVAIPYDAXKOBGP-WBMJQRKESA-N 2 2 287.382 3.132 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236421889 819469315 /nfs/dbraw/zinc/46/93/15/819469315.db2.gz WVAIPYDAXKOBGP-WBMJQRKESA-N 2 2 287.382 3.132 20 0 CGADLP CC(C)[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468531 819489448 /nfs/dbraw/zinc/48/94/48/819489448.db2.gz HPARGXYBUJOAOS-CQSZACIVSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468531 819489451 /nfs/dbraw/zinc/48/94/51/819489451.db2.gz HPARGXYBUJOAOS-CQSZACIVSA-N 2 2 298.377 3.250 20 0 CGADLP COc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236473390 819492242 /nfs/dbraw/zinc/49/22/42/819492242.db2.gz HTFOWMILRYMJJG-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP COc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1F ZINC001236473390 819492244 /nfs/dbraw/zinc/49/22/44/819492244.db2.gz HTFOWMILRYMJJG-OAHLLOKOSA-N 2 2 294.414 3.044 20 0 CGADLP CC1(C)C[C@@H](C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649381 819561364 /nfs/dbraw/zinc/56/13/64/819561364.db2.gz XOZSLEOSIULWDH-DOTOQJQBSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)C[C@@H](C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CCO1 ZINC001236649381 819561366 /nfs/dbraw/zinc/56/13/66/819561366.db2.gz XOZSLEOSIULWDH-DOTOQJQBSA-N 2 2 294.483 3.188 20 0 CGADLP CC[NH+](CC)Cc1ccc(C)c(-c2ccc[nH+]c2N)c1 ZINC001243477905 823415501 /nfs/dbraw/zinc/41/55/01/823415501.db2.gz RJRYGPVQAWCWNV-UHFFFAOYSA-N 2 2 269.392 3.481 20 0 CGADLP COc1ccc(-c2ccc[nH+]c2N)cc1C[NH+]1CCCCC1 ZINC001243478568 823416214 /nfs/dbraw/zinc/41/62/14/823416214.db2.gz ZYYREKDCHIQTPO-UHFFFAOYSA-N 2 2 297.402 3.325 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccnc(Cl)c2c1 ZINC001236870386 819627581 /nfs/dbraw/zinc/62/75/81/819627581.db2.gz QTQJGWJJIRMQMB-ZDUSSCGKSA-N 2 2 277.799 3.057 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccnc(Cl)c2c1 ZINC001236870386 819627584 /nfs/dbraw/zinc/62/75/84/819627584.db2.gz QTQJGWJJIRMQMB-ZDUSSCGKSA-N 2 2 277.799 3.057 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CC1(c2ccccc2)CC1 ZINC001237020250 819644860 /nfs/dbraw/zinc/64/48/60/819644860.db2.gz QJYHEWXQNFWMOY-IBGZPJMESA-N 2 2 292.426 3.104 20 0 CGADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CC1(c2ccccc2)CC1 ZINC001237020250 819644864 /nfs/dbraw/zinc/64/48/64/819644864.db2.gz QJYHEWXQNFWMOY-IBGZPJMESA-N 2 2 292.426 3.104 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OC(C)(C)C ZINC001237025096 819646727 /nfs/dbraw/zinc/64/67/27/819646727.db2.gz BVSWAYGSHKOMSF-UHFFFAOYSA-N 2 2 278.440 3.247 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OC(C)(C)C ZINC001237025096 819646729 /nfs/dbraw/zinc/64/67/29/819646729.db2.gz BVSWAYGSHKOMSF-UHFFFAOYSA-N 2 2 278.440 3.247 20 0 CGADLP c1ccc2c(c1)ccnc2C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237158451 819684751 /nfs/dbraw/zinc/68/47/51/819684751.db2.gz YJALLNNAEGGDHY-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)ccnc2C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237158451 819684753 /nfs/dbraw/zinc/68/47/53/819684753.db2.gz YJALLNNAEGGDHY-QGZVFWFLSA-N 2 2 295.430 3.341 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2cccc(N)c2)C2CCCC2)CC1 ZINC001237223177 819702718 /nfs/dbraw/zinc/70/27/18/819702718.db2.gz RPBRLKWDXPMGKK-UHFFFAOYSA-N 2 2 287.451 3.108 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2cccc(N)c2)C2CCCC2)CC1 ZINC001237223177 819702722 /nfs/dbraw/zinc/70/27/22/819702722.db2.gz RPBRLKWDXPMGKK-UHFFFAOYSA-N 2 2 287.451 3.108 20 0 CGADLP FC(F)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383949 819738863 /nfs/dbraw/zinc/73/88/63/819738863.db2.gz TUOCWJVCKKWELJ-HUUCEWRRSA-N 2 2 280.362 3.198 20 0 CGADLP FC(F)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237383949 819738865 /nfs/dbraw/zinc/73/88/65/819738865.db2.gz TUOCWJVCKKWELJ-HUUCEWRRSA-N 2 2 280.362 3.198 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C1CC1 ZINC001237417090 819749381 /nfs/dbraw/zinc/74/93/81/819749381.db2.gz SQHNDQQLVFQYGE-MAUKXSAKSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C1CC1 ZINC001237417090 819749385 /nfs/dbraw/zinc/74/93/85/819749385.db2.gz SQHNDQQLVFQYGE-MAUKXSAKSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H]1C(=O)CC[N@@H+](Cc2cccc3c[nH+]cn32)C12CCCC2 ZINC001238115605 819939237 /nfs/dbraw/zinc/93/92/37/819939237.db2.gz KJELSUAJELBMPE-CQSZACIVSA-N 2 2 297.402 3.058 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](Cc3cncc(C4CC4)c3)C2)cc[nH+]1 ZINC001238194183 819952207 /nfs/dbraw/zinc/95/22/07/819952207.db2.gz OCMMOBLFZPKBMP-GOSISDBHSA-N 2 2 295.386 3.007 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](Cc3cncc(C4CC4)c3)C2)cc[nH+]1 ZINC001238194183 819952211 /nfs/dbraw/zinc/95/22/11/819952211.db2.gz OCMMOBLFZPKBMP-GOSISDBHSA-N 2 2 295.386 3.007 20 0 CGADLP CC(C)c1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1Cl ZINC001238230184 819964432 /nfs/dbraw/zinc/96/44/32/819964432.db2.gz VBDTXQLWRONBFG-GASCZTMLSA-N 2 2 292.854 3.457 20 0 CGADLP CC(C)c1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Cl ZINC001238230184 819964427 /nfs/dbraw/zinc/96/44/27/819964427.db2.gz VBDTXQLWRONBFG-GASCZTMLSA-N 2 2 292.854 3.457 20 0 CGADLP CC(C)c1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1Cl ZINC001238230184 819964430 /nfs/dbraw/zinc/96/44/30/819964430.db2.gz VBDTXQLWRONBFG-GASCZTMLSA-N 2 2 292.854 3.457 20 0 CGADLP CC(C)c1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1Cl ZINC001238230184 819964434 /nfs/dbraw/zinc/96/44/34/819964434.db2.gz VBDTXQLWRONBFG-GASCZTMLSA-N 2 2 292.854 3.457 20 0 CGADLP COCc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239936873 820716712 /nfs/dbraw/zinc/71/67/12/820716712.db2.gz HCJHJMKUBLCGRU-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239936873 820716720 /nfs/dbraw/zinc/71/67/20/820716720.db2.gz HCJHJMKUBLCGRU-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP Cc1ccc(F)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239966308 820745296 /nfs/dbraw/zinc/74/52/96/820745296.db2.gz XJWZCDXGLJPKAW-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239966308 820745299 /nfs/dbraw/zinc/74/52/99/820745299.db2.gz XJWZCDXGLJPKAW-MRXNPFEDSA-N 2 2 284.378 3.334 20 0 CGADLP [NH3+]C1(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CCC1 ZINC001240510116 821104248 /nfs/dbraw/zinc/10/42/48/821104248.db2.gz BVCOSRPUSQKYNJ-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP Cc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240595807 821176628 /nfs/dbraw/zinc/17/66/28/821176628.db2.gz QMVGYYBIOCODGI-GOSISDBHSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001240595807 821176630 /nfs/dbraw/zinc/17/66/30/821176630.db2.gz QMVGYYBIOCODGI-GOSISDBHSA-N 2 2 284.378 3.334 20 0 CGADLP COCc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240952909 821439541 /nfs/dbraw/zinc/43/95/41/821439541.db2.gz JGTSZBKKSBQJOJ-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240952909 821439543 /nfs/dbraw/zinc/43/95/43/821439543.db2.gz JGTSZBKKSBQJOJ-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP COc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241681843 822063545 /nfs/dbraw/zinc/06/35/45/822063545.db2.gz OOORZLDESIUVPG-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241681843 822063555 /nfs/dbraw/zinc/06/35/55/822063555.db2.gz OOORZLDESIUVPG-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP Oc1c(Cl)cccc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001242364367 822968164 /nfs/dbraw/zinc/96/81/64/822968164.db2.gz JPDBNQNOBZWURM-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC[C@H]1C ZINC001342766076 936478443 /nfs/dbraw/zinc/47/84/43/936478443.db2.gz FVROPRUTFAPLBQ-TZMCWYRMSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c(C)[nH+]1 ZINC001351292905 937014104 /nfs/dbraw/zinc/01/41/04/937014104.db2.gz AFJIRPKIEFBJSK-BFCNOCSMSA-N 2 2 285.391 3.069 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399002610 926753172 /nfs/dbraw/zinc/75/31/72/926753172.db2.gz DREDYKAFTUXFIG-KCXAZCMYSA-N 2 2 264.388 3.253 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399015841 926754769 /nfs/dbraw/zinc/75/47/69/926754769.db2.gz FVZVMIGEIZQGKK-LBTNJELSSA-N 2 2 272.436 3.357 20 0 CGADLP C[NH+](C)[C@@]1(C[NH2+]C2CCC(C3CCC3)CC2)CCSC1 ZINC001560363586 937212778 /nfs/dbraw/zinc/21/27/78/937212778.db2.gz BADGRDDEMFNBKR-OFLPRAFFSA-N 2 2 296.524 3.372 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163437508 928259226 /nfs/dbraw/zinc/25/92/26/928259226.db2.gz HFDXOIAKBVNPKU-MNOVXSKESA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C[C@@H]1C[NH3+] ZINC000163437508 928259241 /nfs/dbraw/zinc/25/92/41/928259241.db2.gz HFDXOIAKBVNPKU-MNOVXSKESA-N 2 2 287.234 3.410 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+]1CCC(C)CC1 ZINC001461119740 937564793 /nfs/dbraw/zinc/56/47/93/937564793.db2.gz HZMKVOSVWOVMMG-NXOAAHMSSA-N 2 2 264.457 3.275 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC001462200126 937624976 /nfs/dbraw/zinc/62/49/76/937624976.db2.gz NUWZUBWYWKDCTB-LSDHHAIUSA-N 2 2 264.457 3.419 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC001462200126 937624978 /nfs/dbraw/zinc/62/49/78/937624978.db2.gz NUWZUBWYWKDCTB-LSDHHAIUSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC001462331285 937633410 /nfs/dbraw/zinc/63/34/10/937633410.db2.gz ALWUQCRWKHHGHJ-ZIAGYGMSSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC001462331285 937633412 /nfs/dbraw/zinc/63/34/12/937633412.db2.gz ALWUQCRWKHHGHJ-ZIAGYGMSSA-N 2 2 284.513 3.371 20 0 CGADLP CC(C)CCC[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC001308199397 933071248 /nfs/dbraw/zinc/07/12/48/933071248.db2.gz RZFUDHCVGMVZNT-UHFFFAOYSA-N 2 2 284.513 3.374 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001308397034 933105172 /nfs/dbraw/zinc/10/51/72/933105172.db2.gz WAPGCRRGFCKNIB-PMPSAXMXSA-N 2 2 296.499 3.290 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001308397034 933105173 /nfs/dbraw/zinc/10/51/73/933105173.db2.gz WAPGCRRGFCKNIB-PMPSAXMXSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415215 933107794 /nfs/dbraw/zinc/10/77/94/933107794.db2.gz UWINXWJHGPEJIT-OKZBNKHCSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001308415215 933107797 /nfs/dbraw/zinc/10/77/97/933107797.db2.gz UWINXWJHGPEJIT-OKZBNKHCSA-N 2 2 296.499 3.028 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC001308449825 933112724 /nfs/dbraw/zinc/11/27/24/933112724.db2.gz BPKPGHPTDHOZBX-QZTJIDSGSA-N 2 2 272.436 3.410 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC001308449825 933112728 /nfs/dbraw/zinc/11/27/28/933112728.db2.gz BPKPGHPTDHOZBX-QZTJIDSGSA-N 2 2 272.436 3.410 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001308548443 933129175 /nfs/dbraw/zinc/12/91/75/933129175.db2.gz SXHAVRFHZOOXRJ-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001308548443 933129177 /nfs/dbraw/zinc/12/91/77/933129177.db2.gz SXHAVRFHZOOXRJ-HUUCEWRRSA-N 2 2 252.446 3.277 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C12CCC2 ZINC001308864822 933192931 /nfs/dbraw/zinc/19/29/31/933192931.db2.gz LYERYUDNRGAHHU-IXDOHACOSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001308967629 933216060 /nfs/dbraw/zinc/21/60/60/933216060.db2.gz SPEBKTSLLKPMAR-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001308967629 933216065 /nfs/dbraw/zinc/21/60/65/933216065.db2.gz SPEBKTSLLKPMAR-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318518976 933741180 /nfs/dbraw/zinc/74/11/80/933741180.db2.gz WAROONXRGMUKQN-LBPRGKRZSA-N 2 2 286.379 3.341 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCCCC1 ZINC001318542626 933743174 /nfs/dbraw/zinc/74/31/74/933743174.db2.gz ZXGQRJSZAQVMCA-UHFFFAOYSA-N 2 2 284.363 3.095 20 0 CGADLP CC[N@H+](C)C[C@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001319378866 933866424 /nfs/dbraw/zinc/86/64/24/933866424.db2.gz CMPMJDVUWGUFTD-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001319378866 933866430 /nfs/dbraw/zinc/86/64/30/933866430.db2.gz CMPMJDVUWGUFTD-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1ccnc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320706839 934090545 /nfs/dbraw/zinc/09/05/45/934090545.db2.gz HWLSDKROXYWSHO-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccnc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001320706839 934090556 /nfs/dbraw/zinc/09/05/56/934090556.db2.gz HWLSDKROXYWSHO-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1coc(C)c1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001321473945 934188632 /nfs/dbraw/zinc/18/86/32/934188632.db2.gz XTKZVFZIHWOBOC-UHFFFAOYSA-N 2 2 296.330 3.038 20 0 CGADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)o1 ZINC001321832635 934217217 /nfs/dbraw/zinc/21/72/17/934217217.db2.gz RRJHPKHJSMKYSR-UHFFFAOYSA-N 2 2 296.330 3.038 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001325269657 934900780 /nfs/dbraw/zinc/90/07/80/934900780.db2.gz ZHICQHCIKIZKPH-LLVKDONJSA-N 2 2 293.411 3.037 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC001325625401 934921396 /nfs/dbraw/zinc/92/13/96/934921396.db2.gz KIUKUBGWQOUDOG-CYBMUJFWSA-N 2 2 289.448 3.206 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001330533110 935293496 /nfs/dbraw/zinc/29/34/96/935293496.db2.gz KRFZBUHCIVCOLN-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001330533110 935293501 /nfs/dbraw/zinc/29/35/01/935293501.db2.gz KRFZBUHCIVCOLN-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CC1CC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001331501236 935386542 /nfs/dbraw/zinc/38/65/42/935386542.db2.gz JBMIVFSVVNPYMQ-PVARCSIZSA-N 2 2 285.435 3.181 20 0 CGADLP CC1CC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC001331501236 935386548 /nfs/dbraw/zinc/38/65/48/935386548.db2.gz JBMIVFSVVNPYMQ-PVARCSIZSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2s1 ZINC001473927779 937830762 /nfs/dbraw/zinc/83/07/62/937830762.db2.gz CSEVBHXBTCNEPP-GFCCVEGCSA-N 2 2 271.389 3.276 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323698 937851329 /nfs/dbraw/zinc/85/13/29/937851329.db2.gz SDIOKTWVKYKEIN-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(C)n1 ZINC001474323698 937851331 /nfs/dbraw/zinc/85/13/31/937851331.db2.gz SDIOKTWVKYKEIN-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(C)n1 ZINC001474323698 937851333 /nfs/dbraw/zinc/85/13/33/937851333.db2.gz SDIOKTWVKYKEIN-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C)n1 ZINC001474323698 937851335 /nfs/dbraw/zinc/85/13/35/937851335.db2.gz SDIOKTWVKYKEIN-MJGOQNOKSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1sccc1C[N@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001548842167 938152042 /nfs/dbraw/zinc/15/20/42/938152042.db2.gz CQMIJBPABWXINM-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1sccc1C[N@@H+]1CCC[C@H](c2c[nH+]cn2C)C1 ZINC001548842167 938152043 /nfs/dbraw/zinc/15/20/43/938152043.db2.gz CQMIJBPABWXINM-AWEZNQCLSA-N 2 2 275.421 3.170 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551402895 938181761 /nfs/dbraw/zinc/18/17/61/938181761.db2.gz QAYQDNJUXRWLDS-MOPGFXCFSA-N 2 2 296.414 3.188 20 0 CGADLP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001560113642 938244236 /nfs/dbraw/zinc/24/42/36/938244236.db2.gz OMGCSAKDMSUPAH-FUHWJXTLSA-N 2 2 296.499 3.436 20 0 CGADLP CCC[C@H](C)CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001560113642 938244237 /nfs/dbraw/zinc/24/42/37/938244237.db2.gz OMGCSAKDMSUPAH-FUHWJXTLSA-N 2 2 296.499 3.436 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001560518855 938261187 /nfs/dbraw/zinc/26/11/87/938261187.db2.gz KPSIJPUBDLKCDN-ZWKOTPCHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001560518855 938261190 /nfs/dbraw/zinc/26/11/90/938261190.db2.gz KPSIJPUBDLKCDN-ZWKOTPCHSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001560518854 938261329 /nfs/dbraw/zinc/26/13/29/938261329.db2.gz KPSIJPUBDLKCDN-ROUUACIJSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001560518854 938261330 /nfs/dbraw/zinc/26/13/30/938261330.db2.gz KPSIJPUBDLKCDN-ROUUACIJSA-N 2 2 272.436 3.356 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC001560524150 938261573 /nfs/dbraw/zinc/26/15/73/938261573.db2.gz ZYRQADLZNCGLDF-UHFFFAOYSA-N 2 2 274.861 3.469 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccsc1Cl ZINC001560524150 938261575 /nfs/dbraw/zinc/26/15/75/938261575.db2.gz ZYRQADLZNCGLDF-UHFFFAOYSA-N 2 2 274.861 3.469 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001560611471 938264602 /nfs/dbraw/zinc/26/46/02/938264602.db2.gz ZESGMQRIVKXGQV-JYJNAYRXSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001560611471 938264604 /nfs/dbraw/zinc/26/46/04/938264604.db2.gz ZESGMQRIVKXGQV-JYJNAYRXSA-N 2 2 250.430 3.053 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC001561042788 938291171 /nfs/dbraw/zinc/29/11/71/938291171.db2.gz JJVWMYFWACJJQS-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC001561042788 938291173 /nfs/dbraw/zinc/29/11/73/938291173.db2.gz JJVWMYFWACJJQS-UHFFFAOYSA-N 2 2 290.426 3.393 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CCCC1 ZINC001580228915 960486667 /nfs/dbraw/zinc/48/66/67/960486667.db2.gz GOUAFPKTZMZYQO-LLVKDONJSA-N 2 2 292.370 3.374 20 0 CGADLP CC(C)(C[NH3+])[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC001575317519 962363526 /nfs/dbraw/zinc/36/35/26/962363526.db2.gz FJORVAJCNCWGHR-UHFFFAOYSA-N 2 2 297.196 3.022 20 0 CGADLP C[C@H](c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1)C(F)(F)F ZINC001576300945 962453378 /nfs/dbraw/zinc/45/33/78/962453378.db2.gz GVGJAMJSYDSMQZ-BXUZGUMPSA-N 2 2 286.341 3.276 20 0 CGADLP C[C@H](c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1)C(F)(F)F ZINC001576300945 962453390 /nfs/dbraw/zinc/45/33/90/962453390.db2.gz GVGJAMJSYDSMQZ-BXUZGUMPSA-N 2 2 286.341 3.276 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC001578193918 962577696 /nfs/dbraw/zinc/57/76/96/962577696.db2.gz BJXQRKKGXUOQLV-IUODEOHRSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC001578193918 962577710 /nfs/dbraw/zinc/57/77/10/962577710.db2.gz BJXQRKKGXUOQLV-IUODEOHRSA-N 2 2 296.842 3.298 20 0 CGADLP [NH3+][C@@H](C[NH2+]Cc1cncc2ccccc21)c1ccccc1 ZINC001580133251 962696229 /nfs/dbraw/zinc/69/62/29/962696229.db2.gz WPVJWZDDCUILQP-SFHVURJKSA-N 2 2 277.371 3.024 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000337384630 214044823 /nfs/dbraw/zinc/04/48/23/214044823.db2.gz GPXHWUGUFJPTSR-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000337384630 214044826 /nfs/dbraw/zinc/04/48/26/214044826.db2.gz GPXHWUGUFJPTSR-QAETUUGQSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H]1C[C@@]1([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000337488208 214115058 /nfs/dbraw/zinc/11/50/58/214115058.db2.gz KCUKUDLRPGFWOZ-DOMZBBRYSA-N 2 2 275.783 3.061 20 0 CGADLP CCCc1[nH+]ccn1Cc1cc(OC(C)C)cc[nH+]1 ZINC000651191843 398213429 /nfs/dbraw/zinc/21/34/29/398213429.db2.gz RCCJZWGHVUYLSS-UHFFFAOYSA-N 2 2 259.353 3.066 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000651225589 398218403 /nfs/dbraw/zinc/21/84/03/398218403.db2.gz UEYSFNVZLVBPRE-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000651225589 398218405 /nfs/dbraw/zinc/21/84/05/398218405.db2.gz UEYSFNVZLVBPRE-LJQANCHMSA-N 2 2 284.447 3.008 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000651184092 398211363 /nfs/dbraw/zinc/21/13/63/398211363.db2.gz CCSIOEMLTIZDOC-ZDUSSCGKSA-N 2 2 259.397 3.291 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC34CCC4)[nH+]c12 ZINC000651241133 398221427 /nfs/dbraw/zinc/22/14/27/398221427.db2.gz DZBJIJCHVCOSMQ-MRXNPFEDSA-N 2 2 283.419 3.498 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000337530868 214142029 /nfs/dbraw/zinc/14/20/29/214142029.db2.gz CXFFVKBTWKMXIC-YDHLFZDLSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000337530868 214142032 /nfs/dbraw/zinc/14/20/32/214142032.db2.gz CXFFVKBTWKMXIC-YDHLFZDLSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)no1 ZINC000337555025 214154315 /nfs/dbraw/zinc/15/43/15/214154315.db2.gz QTDBJOGYDMSJDP-ZDUSSCGKSA-N 2 2 277.412 3.041 20 0 CGADLP CCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337617524 214182876 /nfs/dbraw/zinc/18/28/76/214182876.db2.gz BVDZSCVWJUFKFI-CQSZACIVSA-N 2 2 257.381 3.493 20 0 CGADLP CCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337617524 214182878 /nfs/dbraw/zinc/18/28/78/214182878.db2.gz BVDZSCVWJUFKFI-CQSZACIVSA-N 2 2 257.381 3.493 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)[nH]1 ZINC000651620643 398259047 /nfs/dbraw/zinc/25/90/47/398259047.db2.gz LNWRIRWXGZAUIV-INIZCTEOSA-N 2 2 281.403 3.278 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4c3CCC4)C2)[nH]1 ZINC000651620643 398259049 /nfs/dbraw/zinc/25/90/49/398259049.db2.gz LNWRIRWXGZAUIV-INIZCTEOSA-N 2 2 281.403 3.278 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651669091 398266021 /nfs/dbraw/zinc/26/60/21/398266021.db2.gz FDRBXZVCJMFLCU-HNNXBMFYSA-N 2 2 295.430 3.493 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651676217 398267421 /nfs/dbraw/zinc/26/74/21/398267421.db2.gz SONGDGIZPFLXAO-DOTOQJQBSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)CCS1 ZINC000353654226 529390736 /nfs/dbraw/zinc/39/07/36/529390736.db2.gz JGVGQQQVGNKWLS-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)CCS1 ZINC000353654226 529390737 /nfs/dbraw/zinc/39/07/37/529390737.db2.gz JGVGQQQVGNKWLS-OAHLLOKOSA-N 2 2 264.438 3.150 20 0 CGADLP CCSc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622004174 349620580 /nfs/dbraw/zinc/62/05/80/349620580.db2.gz LPGXLWHYOKUJES-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622004174 349620583 /nfs/dbraw/zinc/62/05/83/349620583.db2.gz LPGXLWHYOKUJES-GOEBONIOSA-N 2 2 276.449 3.112 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127826768 187335507 /nfs/dbraw/zinc/33/55/07/187335507.db2.gz VXSPUQJMQHDAOG-GOEBONIOSA-N 2 2 273.424 3.100 20 0 CGADLP Cc1cc([NH+](C)C)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127826768 187335508 /nfs/dbraw/zinc/33/55/08/187335508.db2.gz VXSPUQJMQHDAOG-GOEBONIOSA-N 2 2 273.424 3.100 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000651866333 398298623 /nfs/dbraw/zinc/29/86/23/398298623.db2.gz ADICNWWGBBTMEN-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000651866333 398298625 /nfs/dbraw/zinc/29/86/25/398298625.db2.gz ADICNWWGBBTMEN-UHFFFAOYSA-N 2 2 270.367 3.032 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000651865933 398299056 /nfs/dbraw/zinc/29/90/56/398299056.db2.gz NJTNBRQCWAKWOJ-UHFFFAOYSA-N 2 2 295.496 3.089 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000651865933 398299059 /nfs/dbraw/zinc/29/90/59/398299059.db2.gz NJTNBRQCWAKWOJ-UHFFFAOYSA-N 2 2 295.496 3.089 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337989313 214346081 /nfs/dbraw/zinc/34/60/81/214346081.db2.gz QADJNGAXRJJRKP-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337989313 214346082 /nfs/dbraw/zinc/34/60/82/214346082.db2.gz QADJNGAXRJJRKP-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000651952840 398311318 /nfs/dbraw/zinc/31/13/18/398311318.db2.gz FIFJMCLCBIIVAD-UHFFFAOYSA-N 2 2 269.339 3.085 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1cscn1)C1CCCCC1 ZINC000651909298 398304960 /nfs/dbraw/zinc/30/49/60/398304960.db2.gz FICRTGJOYMESCR-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1cscn1)C1CCCCC1 ZINC000651909298 398304961 /nfs/dbraw/zinc/30/49/61/398304961.db2.gz FICRTGJOYMESCR-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000423462151 529453383 /nfs/dbraw/zinc/45/33/83/529453383.db2.gz KLDUHDIDEWIYTD-RQJHMYQMSA-N 2 2 267.225 3.443 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423476942 529454108 /nfs/dbraw/zinc/45/41/08/529454108.db2.gz SXGMYHCJSOGWNM-DLBZAZTESA-N 2 2 272.367 3.242 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083566 346899891 /nfs/dbraw/zinc/89/98/91/346899891.db2.gz XWBKFDOBUKRMFW-ZACQAIPSSA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083566 346899897 /nfs/dbraw/zinc/89/98/97/346899897.db2.gz XWBKFDOBUKRMFW-ZACQAIPSSA-N 2 2 291.439 3.115 20 0 CGADLP Cc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000266151018 282191567 /nfs/dbraw/zinc/19/15/67/282191567.db2.gz TXMLDIXJJAHMLH-MRXNPFEDSA-N 2 2 282.391 3.034 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000449089826 529585165 /nfs/dbraw/zinc/58/51/65/529585165.db2.gz KZUUPGMIZUQTKT-SFHVURJKSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000449072807 529607972 /nfs/dbraw/zinc/60/79/72/529607972.db2.gz GRZRIRHJBHBARX-INIZCTEOSA-N 2 2 275.440 3.320 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](COC)C1CCCC1 ZINC000423496476 529611907 /nfs/dbraw/zinc/61/19/07/529611907.db2.gz DYYXNPSJAMOAOZ-ROUUACIJSA-N 2 2 290.451 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423245806 529613223 /nfs/dbraw/zinc/61/32/23/529613223.db2.gz YSNVQCRBBIATOV-JSGCOSHPSA-N 2 2 282.815 3.141 20 0 CGADLP CSC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000591581349 346929835 /nfs/dbraw/zinc/92/98/35/346929835.db2.gz QFOKPEOOIYIODT-SKDRFNHKSA-N 2 2 292.370 3.046 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000427872561 529707638 /nfs/dbraw/zinc/70/76/38/529707638.db2.gz XYELQMLGUHPULS-NEPJUHHUSA-N 2 2 275.421 3.173 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867323 346943132 /nfs/dbraw/zinc/94/31/32/346943132.db2.gz OTIYCDFGRKJANR-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867323 346943135 /nfs/dbraw/zinc/94/31/35/346943135.db2.gz OTIYCDFGRKJANR-MRXNPFEDSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2COc3ccccc32)c[nH+]1 ZINC000351232463 219087107 /nfs/dbraw/zinc/08/71/07/219087107.db2.gz YAFYGSIVHOSUAL-MAUKXSAKSA-N 2 2 296.414 3.477 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2n2cccn2)c[nH+]1 ZINC000351322976 219090543 /nfs/dbraw/zinc/09/05/43/219090543.db2.gz DKBOPWPQJWPBED-ZWKOTPCHSA-N 2 2 298.434 3.293 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623557092 349833489 /nfs/dbraw/zinc/83/34/89/349833489.db2.gz KAGGCVDWKNPWFV-CQSZACIVSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623557092 349833490 /nfs/dbraw/zinc/83/34/90/349833490.db2.gz KAGGCVDWKNPWFV-CQSZACIVSA-N 2 2 288.435 3.147 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000623860704 349898720 /nfs/dbraw/zinc/89/87/20/349898720.db2.gz BYMXQNKBHPXMAU-NVXWUHKLSA-N 2 2 271.408 3.273 20 0 CGADLP C[C@@H]([NH2+]CCc1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000351579872 219134568 /nfs/dbraw/zinc/13/45/68/219134568.db2.gz KSHDRDPTVAMEKS-OAHLLOKOSA-N 2 2 292.386 3.161 20 0 CGADLP C[N@H+](C[C@H]1CCSC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426168333 529972264 /nfs/dbraw/zinc/97/22/64/529972264.db2.gz YYFIMMVUAGXAAF-OAHLLOKOSA-N 2 2 284.513 3.326 20 0 CGADLP C[N@@H+](C[C@H]1CCSC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426168333 529972265 /nfs/dbraw/zinc/97/22/65/529972265.db2.gz YYFIMMVUAGXAAF-OAHLLOKOSA-N 2 2 284.513 3.326 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423225588 529978577 /nfs/dbraw/zinc/97/85/77/529978577.db2.gz NJQADGLPMFHKIP-ZDUSSCGKSA-N 2 2 288.366 3.488 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053375308 345118633 /nfs/dbraw/zinc/11/86/33/345118633.db2.gz BITVIBQSAXOREG-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053375308 345118635 /nfs/dbraw/zinc/11/86/35/345118635.db2.gz BITVIBQSAXOREG-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP Cc1ccoc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000135133987 232200147 /nfs/dbraw/zinc/20/01/47/232200147.db2.gz CZYHKBFRGDCAKQ-UHFFFAOYSA-N 2 2 269.348 3.036 20 0 CGADLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000090230900 345786494 /nfs/dbraw/zinc/78/64/94/345786494.db2.gz WHZJNJPJCUOXLA-UHFFFAOYSA-N 2 2 287.451 3.072 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]CC3(C4CC4)CCC3)CC2)nc1 ZINC000090724421 345793267 /nfs/dbraw/zinc/79/32/67/345793267.db2.gz PHDQUIRPROAJCD-UHFFFAOYSA-N 2 2 299.462 3.216 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH]1 ZINC000092072683 345830470 /nfs/dbraw/zinc/83/04/70/345830470.db2.gz WWONCIUQDUBSIK-MRXNPFEDSA-N 2 2 295.386 3.065 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH]1 ZINC000092072683 345830472 /nfs/dbraw/zinc/83/04/72/345830472.db2.gz WWONCIUQDUBSIK-MRXNPFEDSA-N 2 2 295.386 3.065 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000093865947 345890052 /nfs/dbraw/zinc/89/00/52/345890052.db2.gz QTUFNQMDVJWVPW-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000093865947 345890053 /nfs/dbraw/zinc/89/00/53/345890053.db2.gz QTUFNQMDVJWVPW-MRXNPFEDSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000093403198 345877678 /nfs/dbraw/zinc/87/76/78/345877678.db2.gz JYNZFVOECQXMDZ-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP COc1ccsc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683475 345885510 /nfs/dbraw/zinc/88/55/10/345885510.db2.gz DTOYWSPRDIREPC-CQSZACIVSA-N 2 2 294.464 3.065 20 0 CGADLP COc1ccsc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683475 345885513 /nfs/dbraw/zinc/88/55/13/345885513.db2.gz DTOYWSPRDIREPC-CQSZACIVSA-N 2 2 294.464 3.065 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000123227101 346008554 /nfs/dbraw/zinc/00/85/54/346008554.db2.gz YFBLWCBLHXRZFI-ZFWWWQNUSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000123227101 346008555 /nfs/dbraw/zinc/00/85/55/346008555.db2.gz YFBLWCBLHXRZFI-ZFWWWQNUSA-N 2 2 254.377 3.195 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533455 346012609 /nfs/dbraw/zinc/01/26/09/346012609.db2.gz BYBCPUFKWFFKQW-BXKDBHETSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000124533455 346012611 /nfs/dbraw/zinc/01/26/11/346012611.db2.gz BYBCPUFKWFFKQW-BXKDBHETSA-N 2 2 273.207 3.305 20 0 CGADLP Cc1cccc([C@@H]([NH2+]CC2([NH+](C)C)CC2)C(C)C)c1 ZINC000624001402 349941989 /nfs/dbraw/zinc/94/19/89/349941989.db2.gz AEGUICAZJQPQBE-INIZCTEOSA-N 2 2 260.425 3.376 20 0 CGADLP Fc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC000237756603 346347002 /nfs/dbraw/zinc/34/70/02/346347002.db2.gz OAQGBEBLQXVEHE-UHFFFAOYSA-N 2 2 299.324 3.440 20 0 CGADLP CCc1ccc([C@@H](C[NH2+]Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000236961415 346343963 /nfs/dbraw/zinc/34/39/63/346343963.db2.gz BYRVPAAZVVJDHC-LJQANCHMSA-N 2 2 298.430 3.347 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251499603 346388999 /nfs/dbraw/zinc/38/89/99/346388999.db2.gz VXUVDVFLLALYPB-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251499603 346389001 /nfs/dbraw/zinc/38/90/01/346389001.db2.gz VXUVDVFLLALYPB-SJORKVTESA-N 2 2 258.409 3.102 20 0 CGADLP C([NH2+][C@H]1CCCSCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078212 349965361 /nfs/dbraw/zinc/96/53/61/349965361.db2.gz ZKDMEOPMYZCLGB-GOEBONIOSA-N 2 2 282.497 3.269 20 0 CGADLP C([NH2+][C@H]1CCCSCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624078212 349965364 /nfs/dbraw/zinc/96/53/64/349965364.db2.gz ZKDMEOPMYZCLGB-GOEBONIOSA-N 2 2 282.497 3.269 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C3CC[NH+](C)CC3)oc2c1 ZINC000335859286 346496958 /nfs/dbraw/zinc/49/69/58/346496958.db2.gz IVFNDIBJAMGPKL-ZDUSSCGKSA-N 2 2 272.392 3.486 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)CSCCF)[NH+](C)C)cc1 ZINC000595016084 347258218 /nfs/dbraw/zinc/25/82/18/347258218.db2.gz PSUXXWFNACGHHE-GDBMZVCRSA-N 2 2 298.471 3.279 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770664 348132810 /nfs/dbraw/zinc/13/28/10/348132810.db2.gz ARHYJJPQLYCENM-INIZCTEOSA-N 2 2 288.439 3.019 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000339410062 215154420 /nfs/dbraw/zinc/15/44/20/215154420.db2.gz PEJYXHQHRWMZFF-LBPRGKRZSA-N 2 2 295.427 3.241 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000339410062 215154425 /nfs/dbraw/zinc/15/44/25/215154425.db2.gz PEJYXHQHRWMZFF-LBPRGKRZSA-N 2 2 295.427 3.241 20 0 CGADLP c1cn([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)c[nH+]1 ZINC000608082995 348284022 /nfs/dbraw/zinc/28/40/22/348284022.db2.gz FPURRGRQHJHYFI-CQSZACIVSA-N 2 2 278.359 3.273 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(C(C)C)CC1 ZINC000339519024 215227174 /nfs/dbraw/zinc/22/71/74/215227174.db2.gz RAFOCMBRNKTPNW-UHFFFAOYSA-N 2 2 269.392 3.459 20 0 CGADLP Clc1ccc2[nH+]c(CNc3cc4c(c[nH+]3)CCC4)cn2c1 ZINC000339551139 215241566 /nfs/dbraw/zinc/24/15/66/215241566.db2.gz BTBKZNYEDRWGLX-UHFFFAOYSA-N 2 2 298.777 3.484 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000624270337 350015505 /nfs/dbraw/zinc/01/55/05/350015505.db2.gz JLZMSWTYBRFFCD-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000624270337 350015507 /nfs/dbraw/zinc/01/55/07/350015507.db2.gz JLZMSWTYBRFFCD-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000359118560 233264986 /nfs/dbraw/zinc/26/49/86/233264986.db2.gz NMVUDULOVCYJCZ-NSHDSACASA-N 2 2 283.297 3.160 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cc2c(C)c1 ZINC000359093406 233259228 /nfs/dbraw/zinc/25/92/28/233259228.db2.gz TWFMNFHLHKLBCB-AWEZNQCLSA-N 2 2 283.419 3.111 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)cc2c(C)c1 ZINC000359093406 233259232 /nfs/dbraw/zinc/25/92/32/233259232.db2.gz TWFMNFHLHKLBCB-AWEZNQCLSA-N 2 2 283.419 3.111 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279512 191047619 /nfs/dbraw/zinc/04/76/19/191047619.db2.gz LSSLNBZXHJBLEM-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279512 191047621 /nfs/dbraw/zinc/04/76/21/191047621.db2.gz LSSLNBZXHJBLEM-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279512 191047624 /nfs/dbraw/zinc/04/76/24/191047624.db2.gz LSSLNBZXHJBLEM-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@@H]21 ZINC000271279512 191047627 /nfs/dbraw/zinc/04/76/27/191047627.db2.gz LSSLNBZXHJBLEM-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCO1 ZINC000271301245 191059962 /nfs/dbraw/zinc/05/99/62/191059962.db2.gz UQXBQCLNZQXGFQ-HIFRSBDPSA-N 2 2 287.407 3.018 20 0 CGADLP Clc1sccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000359763497 233373670 /nfs/dbraw/zinc/37/36/70/233373670.db2.gz HBYDNTAZGVLHOU-UHFFFAOYSA-N 2 2 281.812 3.388 20 0 CGADLP CC(C)(C[NH2+]C[C@]1(C)CCCS1)[NH+]1CCCCC1 ZINC000628199767 350437319 /nfs/dbraw/zinc/43/73/19/350437319.db2.gz HEWDPMUWOHBAOC-HNNXBMFYSA-N 2 2 270.486 3.126 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000628242255 350463009 /nfs/dbraw/zinc/46/30/09/350463009.db2.gz YFWRIYOZBMUPMA-ILXRZTDVSA-N 2 2 261.413 3.004 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(C2CC2)o1 ZINC000628279612 350475491 /nfs/dbraw/zinc/47/54/91/350475491.db2.gz RKQOIPJMPQFLGT-UHFFFAOYSA-N 2 2 279.428 3.106 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(C2CC2)o1 ZINC000628279612 350475493 /nfs/dbraw/zinc/47/54/93/350475493.db2.gz RKQOIPJMPQFLGT-UHFFFAOYSA-N 2 2 279.428 3.106 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000629527568 350702938 /nfs/dbraw/zinc/70/29/38/350702938.db2.gz ZARJJIQDULEELL-BBWFWOEESA-N 2 2 276.399 3.315 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccsc1 ZINC000629527166 350703081 /nfs/dbraw/zinc/70/30/81/350703081.db2.gz MHKSWPBRPUOZLI-MELADBBJSA-N 2 2 252.427 3.319 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537772 350705839 /nfs/dbraw/zinc/70/58/39/350705839.db2.gz MELOAUMMFONWIK-LNSITVRQSA-N 2 2 298.377 3.469 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000629537775 350705882 /nfs/dbraw/zinc/70/58/82/350705882.db2.gz MELOAUMMFONWIK-WHOFXGATSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCC2 ZINC000629539386 350706824 /nfs/dbraw/zinc/70/68/24/350706824.db2.gz OVHHDEHWDWHNBP-MDZLAQPJSA-N 2 2 264.438 3.028 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)ccc1OC ZINC000629543214 350708327 /nfs/dbraw/zinc/70/83/27/350708327.db2.gz VSVWEQDIEDVTHW-YCPHGPKFSA-N 2 2 276.424 3.185 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548451 350710054 /nfs/dbraw/zinc/71/00/54/350710054.db2.gz OVUJQBVNCQKZJD-JBLDHEPKSA-N 2 2 281.469 3.150 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000629547882 350710229 /nfs/dbraw/zinc/71/02/29/350710229.db2.gz WCFYQCFUQFOZGN-DNIRFERGSA-N 2 2 250.411 3.027 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000629548825 350710819 /nfs/dbraw/zinc/71/08/19/350710819.db2.gz RBLVYILKLVSDBA-CKLFPEKLSA-N 2 2 285.218 3.321 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000629390462 350687585 /nfs/dbraw/zinc/68/75/85/350687585.db2.gz GYGJLPVOZAMFHL-DLBZAZTESA-N 2 2 284.403 3.079 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C[NH2+]1 ZINC000629396974 350688451 /nfs/dbraw/zinc/68/84/51/350688451.db2.gz RWHHKQBYUKTZNM-DGCLKSJQSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C[NH2+]1 ZINC000629395147 350688516 /nfs/dbraw/zinc/68/85/16/350688516.db2.gz AQPYSJPDAQUVGY-BXKDBHETSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C[NH2+]1 ZINC000629416763 350690945 /nfs/dbraw/zinc/69/09/45/350690945.db2.gz VLAZUIJZLAZYNU-AAEUAGOBSA-N 2 2 289.810 3.118 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000629509456 350698863 /nfs/dbraw/zinc/69/88/63/350698863.db2.gz MRBLIHJYOSPQMQ-RDTXWAMCSA-N 2 2 289.467 3.469 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000629509456 350698867 /nfs/dbraw/zinc/69/88/67/350698867.db2.gz MRBLIHJYOSPQMQ-RDTXWAMCSA-N 2 2 289.467 3.469 20 0 CGADLP CCC[N@H+](Cc1cnc2ccc(C)cc2c1)[C@@H]1CC[NH2+]C1 ZINC000629510059 350699061 /nfs/dbraw/zinc/69/90/61/350699061.db2.gz FMEAVYKPMNYWNN-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1cnc2ccc(C)cc2c1)[C@@H]1CC[NH2+]C1 ZINC000629510059 350699065 /nfs/dbraw/zinc/69/90/65/350699065.db2.gz FMEAVYKPMNYWNN-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000629520474 350700607 /nfs/dbraw/zinc/70/06/07/350700607.db2.gz MAQHSCPVEZYZQX-ABAIWWIYSA-N 2 2 294.439 3.483 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000629525911 350701955 /nfs/dbraw/zinc/70/19/55/350701955.db2.gz GAIHWJJGIWXQPI-ISWURRPUSA-N 2 2 258.409 3.355 20 0 CGADLP Cc1[nH]cc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)[nH+]1 ZINC000629702607 350745019 /nfs/dbraw/zinc/74/50/19/350745019.db2.gz QKZPBFJTXGZQPL-LBPRGKRZSA-N 2 2 255.365 3.369 20 0 CGADLP Cc1[nH]cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)[nH+]1 ZINC000629702607 350745022 /nfs/dbraw/zinc/74/50/22/350745022.db2.gz QKZPBFJTXGZQPL-LBPRGKRZSA-N 2 2 255.365 3.369 20 0 CGADLP CC[NH2+]Cc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000629710632 350749446 /nfs/dbraw/zinc/74/94/46/350749446.db2.gz VJTAYLIOZUIJJO-UHFFFAOYSA-N 2 2 281.403 3.458 20 0 CGADLP Cc1cc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)cs1 ZINC000629699233 350742623 /nfs/dbraw/zinc/74/26/23/350742623.db2.gz GKDOAXBDYKULCB-UHFFFAOYSA-N 2 2 298.415 3.239 20 0 CGADLP Cc1[nH+]cc(-c2cc(C[NH+]3CCCC3)ccc2F)n1C ZINC000630050596 350800334 /nfs/dbraw/zinc/80/03/34/350800334.db2.gz IAHBVYMTBZHAII-UHFFFAOYSA-N 2 2 273.355 3.130 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CCC2 ZINC000631653711 351107128 /nfs/dbraw/zinc/10/71/28/351107128.db2.gz ZJSDFCVZUNDEGI-LPHOPBHVSA-N 2 2 299.462 3.456 20 0 CGADLP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CCC2 ZINC000631653711 351107129 /nfs/dbraw/zinc/10/71/29/351107129.db2.gz ZJSDFCVZUNDEGI-LPHOPBHVSA-N 2 2 299.462 3.456 20 0 CGADLP [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000631820811 351148533 /nfs/dbraw/zinc/14/85/33/351148533.db2.gz HBJGVQWYFQOFRL-UHFFFAOYSA-N 2 2 291.197 3.303 20 0 CGADLP Clc1ccccc1C1([NH2+]CC23CC(C2)C[NH2+]3)CCC1 ZINC000634996583 351620986 /nfs/dbraw/zinc/62/09/86/351620986.db2.gz OLTDYBBURODVLO-UHFFFAOYSA-N 2 2 276.811 3.061 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000122515576 187036118 /nfs/dbraw/zinc/03/61/18/187036118.db2.gz GGFVZAMNEAQJRX-ZDUSSCGKSA-N 2 2 294.414 3.358 20 0 CGADLP Fc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(F)c1F ZINC000122569903 187039213 /nfs/dbraw/zinc/03/92/13/187039213.db2.gz HVKOWVHPLHLGIV-UHFFFAOYSA-N 2 2 295.308 3.138 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000123867910 187112400 /nfs/dbraw/zinc/11/24/00/187112400.db2.gz AWHVNMJYYHYUNM-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@H+]1C ZINC000123867910 187112401 /nfs/dbraw/zinc/11/24/01/187112401.db2.gz AWHVNMJYYHYUNM-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867910 187112402 /nfs/dbraw/zinc/11/24/02/187112402.db2.gz AWHVNMJYYHYUNM-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867910 187112403 /nfs/dbraw/zinc/11/24/03/187112403.db2.gz AWHVNMJYYHYUNM-PBHICJAKSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367435512 234214729 /nfs/dbraw/zinc/21/47/29/234214729.db2.gz BYSJKTVFYGOJBT-KRWDZBQOSA-N 2 2 281.403 3.305 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2n1 ZINC000367999667 234266456 /nfs/dbraw/zinc/26/64/56/234266456.db2.gz XEMJBNUAMGEKOY-JSGCOSHPSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc2ccccc2n1 ZINC000367999667 234266459 /nfs/dbraw/zinc/26/64/59/234266459.db2.gz XEMJBNUAMGEKOY-JSGCOSHPSA-N 2 2 292.386 3.166 20 0 CGADLP CC[N@@H+]1CC[C@H](Nc2ccc([NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000153440225 188082531 /nfs/dbraw/zinc/08/25/31/188082531.db2.gz LETLPLBUBOZDNL-ZBFHGGJFSA-N 2 2 275.440 3.203 20 0 CGADLP CC[N@H+]1CC[C@H](Nc2ccc([NH+](C)C)c(C)c2)[C@H](C)C1 ZINC000153440225 188082532 /nfs/dbraw/zinc/08/25/32/188082532.db2.gz LETLPLBUBOZDNL-ZBFHGGJFSA-N 2 2 275.440 3.203 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313248530 535204945 /nfs/dbraw/zinc/20/49/45/535204945.db2.gz BRQVCSPNJALQID-BMFZPTHFSA-N 2 2 263.429 3.013 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C3(C4CCC4)CCC3)CC2)ccn1 ZINC000414201696 235362843 /nfs/dbraw/zinc/36/28/43/235362843.db2.gz YGVIIKMLWWUHBX-UHFFFAOYSA-N 2 2 299.462 3.358 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCCCCF)[C@@H]1c1ccccc1 ZINC000289338768 283135411 /nfs/dbraw/zinc/13/54/11/283135411.db2.gz FPCFLIQBCNCBII-HOTGVXAUSA-N 2 2 264.388 3.161 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCCCCF)[C@@H]1c1ccccc1 ZINC000289338768 283135415 /nfs/dbraw/zinc/13/54/15/283135415.db2.gz FPCFLIQBCNCBII-HOTGVXAUSA-N 2 2 264.388 3.161 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000336344029 213191510 /nfs/dbraw/zinc/19/15/10/213191510.db2.gz VMWPMRAWAQQWOW-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000336344029 213191512 /nfs/dbraw/zinc/19/15/12/213191512.db2.gz VMWPMRAWAQQWOW-GFCCVEGCSA-N 2 2 293.773 3.202 20 0 CGADLP Clc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579622 138358442 /nfs/dbraw/zinc/35/84/42/138358442.db2.gz QEHRTHZKPWVPIR-PHIMTYICSA-N 2 2 292.835 3.206 20 0 CGADLP Clc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579622 138358443 /nfs/dbraw/zinc/35/84/43/138358443.db2.gz QEHRTHZKPWVPIR-PHIMTYICSA-N 2 2 292.835 3.206 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000123700669 138369090 /nfs/dbraw/zinc/36/90/90/138369090.db2.gz RFUBDRKJQBMXOZ-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000123700669 138369092 /nfs/dbraw/zinc/36/90/92/138369092.db2.gz RFUBDRKJQBMXOZ-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700669 138369093 /nfs/dbraw/zinc/36/90/93/138369093.db2.gz RFUBDRKJQBMXOZ-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2Cl)CC[NH+]1C ZINC000123700669 138369094 /nfs/dbraw/zinc/36/90/94/138369094.db2.gz RFUBDRKJQBMXOZ-RISCZKNCSA-N 2 2 284.806 3.394 20 0 CGADLP Cc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000110319283 138363039 /nfs/dbraw/zinc/36/30/39/138363039.db2.gz CATZRTUARMTFPC-INIZCTEOSA-N 2 2 296.418 3.377 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000128604336 138394060 /nfs/dbraw/zinc/39/40/60/138394060.db2.gz RTMVSVTZHWVDAK-UPJWGTAASA-N 2 2 281.469 3.085 20 0 CGADLP CC(C)c1csc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000128604336 138394061 /nfs/dbraw/zinc/39/40/61/138394061.db2.gz RTMVSVTZHWVDAK-UPJWGTAASA-N 2 2 281.469 3.085 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(-c2ccncc2)c1 ZINC000423232196 236004660 /nfs/dbraw/zinc/00/46/60/236004660.db2.gz HTHUDSCQDQPVTQ-RDTXWAMCSA-N 2 2 281.403 3.151 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000423235857 236005114 /nfs/dbraw/zinc/00/51/14/236005114.db2.gz NJCBYTOUAZURDC-WDEREUQCSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H](C[NH3+])[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423333223 236041881 /nfs/dbraw/zinc/04/18/81/236041881.db2.gz RFHWAFONEOASOQ-SKDRFNHKSA-N 2 2 270.829 3.204 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000423344640 236045596 /nfs/dbraw/zinc/04/55/96/236045596.db2.gz XBEDRYGHTBTGEZ-CQSZACIVSA-N 2 2 296.480 3.074 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000423522419 236091938 /nfs/dbraw/zinc/09/19/38/236091938.db2.gz HHZRHXZMDLGDRX-ZXZQKFIBSA-N 2 2 299.462 3.194 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423545842 236097540 /nfs/dbraw/zinc/09/75/40/236097540.db2.gz DUIQECFNBZVBKK-FZMZJTMJSA-N 2 2 286.341 3.498 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)c3ccccn3)n2c1 ZINC000294895157 199235860 /nfs/dbraw/zinc/23/58/60/199235860.db2.gz WTAJNLGSLMJSMT-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436270583 237064402 /nfs/dbraw/zinc/06/44/02/237064402.db2.gz NQHWLZCHPDCRNN-IRXDYDNUSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000336219914 213045455 /nfs/dbraw/zinc/04/54/55/213045455.db2.gz PPNKHGCHVVGUFW-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000436404009 237095792 /nfs/dbraw/zinc/09/57/92/237095792.db2.gz BZEBOOPSWAKWFF-VXGBXAGGSA-N 2 2 261.394 3.212 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CCC1)CCC2 ZINC000437108512 237253558 /nfs/dbraw/zinc/25/35/58/237253558.db2.gz SUMCVJROYBPBMD-KRWDZBQOSA-N 2 2 272.436 3.446 20 0 CGADLP CC[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884840 216137415 /nfs/dbraw/zinc/13/74/15/216137415.db2.gz DMLKQDZAHTUYOE-AEFFLSMTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341884840 216137417 /nfs/dbraw/zinc/13/74/17/216137417.db2.gz DMLKQDZAHTUYOE-AEFFLSMTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341884840 216137419 /nfs/dbraw/zinc/13/74/19/216137419.db2.gz DMLKQDZAHTUYOE-AEFFLSMTSA-N 2 2 290.451 3.008 20 0 CGADLP CC[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341884840 216137421 /nfs/dbraw/zinc/13/74/21/216137421.db2.gz DMLKQDZAHTUYOE-AEFFLSMTSA-N 2 2 290.451 3.008 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cn2)c[nH+]1 ZINC000177307677 189043543 /nfs/dbraw/zinc/04/35/43/189043543.db2.gz RJIYZGSTQKJOTD-HOTGVXAUSA-N 2 2 282.391 3.032 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cn2)c[nH+]1 ZINC000177307677 189043544 /nfs/dbraw/zinc/04/35/44/189043544.db2.gz RJIYZGSTQKJOTD-HOTGVXAUSA-N 2 2 282.391 3.032 20 0 CGADLP COc1cccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000177204832 189036016 /nfs/dbraw/zinc/03/60/16/189036016.db2.gz OEHTUZJNNXCNQU-AWEZNQCLSA-N 2 2 295.386 3.236 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733510 189272356 /nfs/dbraw/zinc/27/23/56/189272356.db2.gz NMZWVZBITQIURE-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733510 189272357 /nfs/dbraw/zinc/27/23/57/189272357.db2.gz NMZWVZBITQIURE-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733510 189272358 /nfs/dbraw/zinc/27/23/58/189272358.db2.gz NMZWVZBITQIURE-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)CC[C@@H]21 ZINC000180733510 189272359 /nfs/dbraw/zinc/27/23/59/189272359.db2.gz NMZWVZBITQIURE-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC(C(F)(F)F)C3)n2c1 ZINC000342287434 216291952 /nfs/dbraw/zinc/29/19/52/216291952.db2.gz AETPZXQEKHYBLV-UHFFFAOYSA-N 2 2 283.297 3.073 20 0 CGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccn(C)c1)[NH+](C)C ZINC000443013632 238496062 /nfs/dbraw/zinc/49/60/62/238496062.db2.gz LWWRNRIFUAJEJR-CRAIPNDOSA-N 2 2 285.435 3.115 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000181599864 189302099 /nfs/dbraw/zinc/30/20/99/189302099.db2.gz MXSBOWRHGUBNQN-YPMHNXCESA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000181599864 189302100 /nfs/dbraw/zinc/30/21/00/189302100.db2.gz MXSBOWRHGUBNQN-YPMHNXCESA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000301634094 201107738 /nfs/dbraw/zinc/10/77/38/201107738.db2.gz KIBWOKPOUXEOFU-JTQLQIEISA-N 2 2 289.345 3.489 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000301633798 201108624 /nfs/dbraw/zinc/10/86/24/201108624.db2.gz KHVZAMXPCVWRNY-CYBMUJFWSA-N 2 2 287.432 3.310 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000301633798 201108628 /nfs/dbraw/zinc/10/86/28/201108628.db2.gz KHVZAMXPCVWRNY-CYBMUJFWSA-N 2 2 287.432 3.310 20 0 CGADLP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301623094 201100682 /nfs/dbraw/zinc/10/06/82/201100682.db2.gz FHNOWVMEZVAJJO-CYBMUJFWSA-N 2 2 278.444 3.297 20 0 CGADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000301652434 201116864 /nfs/dbraw/zinc/11/68/64/201116864.db2.gz KFRGOTRIDXMERG-UKRRQHHQSA-N 2 2 290.455 3.075 20 0 CGADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000301652434 201116866 /nfs/dbraw/zinc/11/68/66/201116866.db2.gz KFRGOTRIDXMERG-UKRRQHHQSA-N 2 2 290.455 3.075 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(F)c1F ZINC000183204893 189349890 /nfs/dbraw/zinc/34/98/90/189349890.db2.gz KSFOMHIRHFMSRL-NSHDSACASA-N 2 2 270.367 3.203 20 0 CGADLP CC[NH+]1CCC(CCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301683428 201134995 /nfs/dbraw/zinc/13/49/95/201134995.db2.gz WBMLMXCWUFDADN-UHFFFAOYSA-N 2 2 290.455 3.442 20 0 CGADLP Cc1nc(NCCCc2[nH]c3ccccc3[nH+]2)c(C)c(C)[nH+]1 ZINC000301704458 201150608 /nfs/dbraw/zinc/15/06/08/201150608.db2.gz VEIHETDFQXBKTE-UHFFFAOYSA-N 2 2 295.390 3.323 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449018205 239115245 /nfs/dbraw/zinc/11/52/45/239115245.db2.gz RTRZZTUNZNMIIC-AWEZNQCLSA-N 2 2 299.422 3.101 20 0 CGADLP c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n(C2CCCC2)n1 ZINC000449018205 239115248 /nfs/dbraw/zinc/11/52/48/239115248.db2.gz RTRZZTUNZNMIIC-AWEZNQCLSA-N 2 2 299.422 3.101 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000449025930 239124595 /nfs/dbraw/zinc/12/45/95/239124595.db2.gz DHHBEFSCBMZAKR-FUHWJXTLSA-N 2 2 296.414 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000449025930 239124602 /nfs/dbraw/zinc/12/46/02/239124602.db2.gz DHHBEFSCBMZAKR-FUHWJXTLSA-N 2 2 296.414 3.032 20 0 CGADLP COc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc2ccccc21 ZINC000449029825 239128162 /nfs/dbraw/zinc/12/81/62/239128162.db2.gz PVINIOGWOVIGMT-FUHWJXTLSA-N 2 2 296.414 3.032 20 0 CGADLP COc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc2ccccc21 ZINC000449029825 239128167 /nfs/dbraw/zinc/12/81/67/239128167.db2.gz PVINIOGWOVIGMT-FUHWJXTLSA-N 2 2 296.414 3.032 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000449150964 239205599 /nfs/dbraw/zinc/20/55/99/239205599.db2.gz UYNWAODHMYLLIG-CVEARBPZSA-N 2 2 286.419 3.321 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000449150964 239205604 /nfs/dbraw/zinc/20/56/04/239205604.db2.gz UYNWAODHMYLLIG-CVEARBPZSA-N 2 2 286.419 3.321 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449170676 239220730 /nfs/dbraw/zinc/22/07/30/239220730.db2.gz IZFDMWRCQTZUGC-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449170676 239220734 /nfs/dbraw/zinc/22/07/34/239220734.db2.gz IZFDMWRCQTZUGC-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000449250781 239268875 /nfs/dbraw/zinc/26/88/75/239268875.db2.gz PUVOXMAUEMGJLT-VKJFTORMSA-N 2 2 286.419 3.492 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CCCCC1 ZINC000449393444 239379966 /nfs/dbraw/zinc/37/99/66/239379966.db2.gz CBMNTCSHUFWTRV-XYJFISCASA-N 2 2 296.499 3.028 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CCCCC1 ZINC000449393444 239379971 /nfs/dbraw/zinc/37/99/71/239379971.db2.gz CBMNTCSHUFWTRV-XYJFISCASA-N 2 2 296.499 3.028 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120236919 370752008 /nfs/dbraw/zinc/75/20/08/370752008.db2.gz PDYZPSGZQDUNJY-RDHHWEPZSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1C1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000120236919 370752011 /nfs/dbraw/zinc/75/20/11/370752011.db2.gz PDYZPSGZQDUNJY-RDHHWEPZSA-N 2 2 284.447 3.456 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450631974 240010234 /nfs/dbraw/zinc/01/02/34/240010234.db2.gz JKTCMXZXLQNWIR-ZIAGYGMSSA-N 2 2 297.393 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450631974 240010239 /nfs/dbraw/zinc/01/02/39/240010239.db2.gz JKTCMXZXLQNWIR-ZIAGYGMSSA-N 2 2 297.393 3.110 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000120768807 370799226 /nfs/dbraw/zinc/79/92/26/370799226.db2.gz KSFACKRPQHJKQG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000120768807 370799231 /nfs/dbraw/zinc/79/92/31/370799231.db2.gz KSFACKRPQHJKQG-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@H]1c1ccccc1 ZINC000338775603 299372786 /nfs/dbraw/zinc/37/27/86/299372786.db2.gz GGQRLNWDDKWKNB-XGAARHLOSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@H]1c1ccccc1 ZINC000338775603 299372789 /nfs/dbraw/zinc/37/27/89/299372789.db2.gz GGQRLNWDDKWKNB-XGAARHLOSA-N 2 2 272.436 3.251 20 0 CGADLP Cc1ccc(C)c([C@H](C)[N@H+](C)CCc2c[nH+]cn2C)c1 ZINC000459323663 242070831 /nfs/dbraw/zinc/07/08/31/242070831.db2.gz JCPNMPGOKGUZGA-HNNXBMFYSA-N 2 2 271.408 3.272 20 0 CGADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCc2c[nH+]cn2C)c1 ZINC000459323663 242070836 /nfs/dbraw/zinc/07/08/36/242070836.db2.gz JCPNMPGOKGUZGA-HNNXBMFYSA-N 2 2 271.408 3.272 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(Cl)c1 ZINC000342720034 299373193 /nfs/dbraw/zinc/37/31/93/299373193.db2.gz FSQDGSIUNIZRHM-SLEUVZQESA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(Cl)c1 ZINC000342720034 299373197 /nfs/dbraw/zinc/37/31/97/299373197.db2.gz FSQDGSIUNIZRHM-SLEUVZQESA-N 2 2 266.816 3.473 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000459391845 242096490 /nfs/dbraw/zinc/09/64/90/242096490.db2.gz VRJBKDVSWBRSSQ-GFCCVEGCSA-N 2 2 295.789 3.410 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)CC12CCCCC2 ZINC000459398871 242098197 /nfs/dbraw/zinc/09/81/97/242098197.db2.gz IZHYVETYTWLWLC-OAHLLOKOSA-N 2 2 275.440 3.255 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC12CCCCC2 ZINC000459398871 242098204 /nfs/dbraw/zinc/09/82/04/242098204.db2.gz IZHYVETYTWLWLC-OAHLLOKOSA-N 2 2 275.440 3.255 20 0 CGADLP CC(C)(C)C1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000459643621 242159873 /nfs/dbraw/zinc/15/98/73/242159873.db2.gz UYWSMGKHQWDVBL-UHFFFAOYSA-N 2 2 269.392 3.350 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]C2CCC(C)(c3ccccc3)CC2)c1 ZINC000459660218 242166657 /nfs/dbraw/zinc/16/66/57/242166657.db2.gz KOYIDSDXHGFDMG-UHFFFAOYSA-N 2 2 297.446 3.453 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000459671427 242171740 /nfs/dbraw/zinc/17/17/40/242171740.db2.gz GLRZXQSOPIOLCC-CZUORRHYSA-N 2 2 291.439 3.116 20 0 CGADLP COc1cccc2c1C[C@H]([NH2+]CCCc1c[nH+]ccc1C)C2 ZINC000459739448 242201889 /nfs/dbraw/zinc/20/18/89/242201889.db2.gz YLOGZRUOHSLTMB-QGZVFWFLSA-N 2 2 296.414 3.088 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]CC[NH+]2CCCC2)C(C)C)cc1 ZINC000480010509 243133324 /nfs/dbraw/zinc/13/33/24/243133324.db2.gz FBDUFHMONYOYFZ-SFHVURJKSA-N 2 2 274.452 3.248 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000480082331 243137208 /nfs/dbraw/zinc/13/72/08/243137208.db2.gz CZFMCGGYKSCZLU-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000480082331 243137215 /nfs/dbraw/zinc/13/72/15/243137215.db2.gz CZFMCGGYKSCZLU-RTBURBONSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810794 243207767 /nfs/dbraw/zinc/20/77/67/243207767.db2.gz ANYVJRVOQJFTEY-WVYASWFKSA-N 2 2 296.817 3.207 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481810794 243207770 /nfs/dbraw/zinc/20/77/70/243207770.db2.gz ANYVJRVOQJFTEY-WVYASWFKSA-N 2 2 296.817 3.207 20 0 CGADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000484490691 243316340 /nfs/dbraw/zinc/31/63/40/243316340.db2.gz KZHFAHLYUFTLSL-ZNMIVQPWSA-N 2 2 272.502 3.228 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809595 243372974 /nfs/dbraw/zinc/37/29/74/243372974.db2.gz GEBFZQBAEIVANT-WBVHZDCISA-N 2 2 290.451 3.002 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCOc2cccc(C)c2C)C1 ZINC000486809595 243372981 /nfs/dbraw/zinc/37/29/81/243372981.db2.gz GEBFZQBAEIVANT-WBVHZDCISA-N 2 2 290.451 3.002 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486856001 243375743 /nfs/dbraw/zinc/37/57/43/243375743.db2.gz NKMOZMAWTUZCJM-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486856001 243375747 /nfs/dbraw/zinc/37/57/47/243375747.db2.gz NKMOZMAWTUZCJM-UBDQQSCGSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1CC1(C)C ZINC000486959311 243386729 /nfs/dbraw/zinc/38/67/29/243386729.db2.gz VNIWNWDGSXGJFU-UONOGXRCSA-N 2 2 261.413 3.298 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000488420064 243554709 /nfs/dbraw/zinc/55/47/09/243554709.db2.gz VUBRGJBFTZRXAJ-YDHLFZDLSA-N 2 2 255.365 3.179 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2F)CC1 ZINC000125199219 370932214 /nfs/dbraw/zinc/93/22/14/370932214.db2.gz QKUMUZUOGUQPGH-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2F)CC1 ZINC000125199219 370932220 /nfs/dbraw/zinc/93/22/20/370932220.db2.gz QKUMUZUOGUQPGH-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccs1 ZINC000020092010 368800802 /nfs/dbraw/zinc/80/08/02/368800802.db2.gz WODZAWSIUAHPIP-QWHCGFSZSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000020092010 368800805 /nfs/dbraw/zinc/80/08/05/368800805.db2.gz WODZAWSIUAHPIP-QWHCGFSZSA-N 2 2 252.427 3.273 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031995070 368922655 /nfs/dbraw/zinc/92/26/55/368922655.db2.gz YJSDDTJHCYKBHH-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000031995070 368922660 /nfs/dbraw/zinc/92/26/60/368922660.db2.gz YJSDDTJHCYKBHH-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1F ZINC000036952809 369041536 /nfs/dbraw/zinc/04/15/36/369041536.db2.gz ZJIYODZEJPFTKZ-NDNKKMJESA-N 2 2 280.362 3.241 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000036952809 369041539 /nfs/dbraw/zinc/04/15/39/369041539.db2.gz ZJIYODZEJPFTKZ-NDNKKMJESA-N 2 2 280.362 3.241 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000034973261 368985013 /nfs/dbraw/zinc/98/50/13/368985013.db2.gz VUURSOHOBLYTNS-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000034973261 368985017 /nfs/dbraw/zinc/98/50/17/368985017.db2.gz VUURSOHOBLYTNS-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035009533 368987748 /nfs/dbraw/zinc/98/77/48/368987748.db2.gz MDXJYQFXYFVMCG-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035009533 368987754 /nfs/dbraw/zinc/98/77/54/368987754.db2.gz MDXJYQFXYFVMCG-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000037157484 369072306 /nfs/dbraw/zinc/07/23/06/369072306.db2.gz XLXVKBTWDNUYOB-QWHCGFSZSA-N 2 2 269.348 3.369 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037157316 369072728 /nfs/dbraw/zinc/07/27/28/369072728.db2.gz NMPGQHWLGCQEQE-GXTWGEPZSA-N 2 2 273.405 3.098 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000037157433 369073396 /nfs/dbraw/zinc/07/33/96/369073396.db2.gz JFTFEIRRCXBRGW-NEPJUHHUSA-N 2 2 263.772 3.276 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037047727 369056056 /nfs/dbraw/zinc/05/60/56/369056056.db2.gz SHCQFGXAGXHCIE-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037047727 369056061 /nfs/dbraw/zinc/05/60/61/369056061.db2.gz SHCQFGXAGXHCIE-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000037084582 369059544 /nfs/dbraw/zinc/05/95/44/369059544.db2.gz VGNRORZTVIXKGH-LBPRGKRZSA-N 2 2 298.377 3.423 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000040500494 369156369 /nfs/dbraw/zinc/15/63/69/369156369.db2.gz RKZQXYMUACFKJS-INIZCTEOSA-N 2 2 260.425 3.002 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000041119006 369174582 /nfs/dbraw/zinc/17/45/82/369174582.db2.gz FTMMRMCWCKIAAO-LLVKDONJSA-N 2 2 283.297 3.253 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683865 369265992 /nfs/dbraw/zinc/26/59/92/369265992.db2.gz DXGQQRWAROPHLK-ZDUSSCGKSA-N 2 2 284.325 3.032 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683865 369265997 /nfs/dbraw/zinc/26/59/97/369265997.db2.gz DXGQQRWAROPHLK-ZDUSSCGKSA-N 2 2 284.325 3.032 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044683822 369266292 /nfs/dbraw/zinc/26/62/92/369266292.db2.gz VXIWCNKCTSTABH-INIZCTEOSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044683822 369266299 /nfs/dbraw/zinc/26/62/99/369266299.db2.gz VXIWCNKCTSTABH-INIZCTEOSA-N 2 2 266.388 3.166 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685378 369267431 /nfs/dbraw/zinc/26/74/31/369267431.db2.gz HNQMKXPORRSCQV-YPMHNXCESA-N 2 2 296.361 3.175 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000044685378 369267432 /nfs/dbraw/zinc/26/74/32/369267432.db2.gz HNQMKXPORRSCQV-YPMHNXCESA-N 2 2 296.361 3.175 20 0 CGADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000494426767 244287538 /nfs/dbraw/zinc/28/75/38/244287538.db2.gz CMWFJNRARSGARE-VGWMRTNUSA-N 2 2 275.440 3.248 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494431998 244288166 /nfs/dbraw/zinc/28/81/66/244288166.db2.gz ABMLFRFTSBNWMK-INIZCTEOSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494436387 244290878 /nfs/dbraw/zinc/29/08/78/244290878.db2.gz KTSUFIOSCCXVSN-INIZCTEOSA-N 2 2 299.418 3.023 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045116751 369276677 /nfs/dbraw/zinc/27/66/77/369276677.db2.gz REMKYYVDBDUDJD-DOMZBBRYSA-N 2 2 255.365 3.321 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000494631946 244307088 /nfs/dbraw/zinc/30/70/88/244307088.db2.gz KFGNPQRKWCJWGW-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000494631946 244307093 /nfs/dbraw/zinc/30/70/93/244307093.db2.gz KFGNPQRKWCJWGW-RVKKMQEKSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000045663823 369283761 /nfs/dbraw/zinc/28/37/61/369283761.db2.gz UUFIDAMPMVHOOL-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1C ZINC000494926180 244331993 /nfs/dbraw/zinc/33/19/93/244331993.db2.gz ZSXWRYQTLDTIBO-KEYYUXOJSA-N 2 2 269.392 3.066 20 0 CGADLP Clc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000494949327 244336309 /nfs/dbraw/zinc/33/63/09/244336309.db2.gz DAEJGPGAYZYSKH-ZDUSSCGKSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000494949327 244336310 /nfs/dbraw/zinc/33/63/10/244336310.db2.gz DAEJGPGAYZYSKH-ZDUSSCGKSA-N 2 2 294.807 3.450 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495066612 244351116 /nfs/dbraw/zinc/35/11/16/244351116.db2.gz MEZBYBYMVDEIFZ-DDUZABMNSA-N 2 2 287.451 3.203 20 0 CGADLP Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000047873398 369330505 /nfs/dbraw/zinc/33/05/05/369330505.db2.gz QAVHXKIDYVNPLR-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061980792 369613356 /nfs/dbraw/zinc/61/33/56/369613356.db2.gz UVQAIQAGRJZHDF-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061980792 369613361 /nfs/dbraw/zinc/61/33/61/369613361.db2.gz UVQAIQAGRJZHDF-IUODEOHRSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000062077790 369617939 /nfs/dbraw/zinc/61/79/39/369617939.db2.gz ZTSBOOVGEONKTA-QWHCGFSZSA-N 2 2 282.378 3.347 20 0 CGADLP CCSCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000080530960 369990940 /nfs/dbraw/zinc/99/09/40/369990940.db2.gz TZGPAJSEVHARRZ-CQSZACIVSA-N 2 2 289.448 3.494 20 0 CGADLP CC(C)n1c[nH+]cc1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000090208735 370059468 /nfs/dbraw/zinc/05/94/68/370059468.db2.gz SUTUYXFGKPCGAO-NVXWUHKLSA-N 2 2 292.471 3.064 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)CC2 ZINC000092836205 370104860 /nfs/dbraw/zinc/10/48/60/370104860.db2.gz SOOIWKBUZMROQL-YJBOKZPZSA-N 2 2 290.451 3.248 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000093645011 370153365 /nfs/dbraw/zinc/15/33/65/370153365.db2.gz FKFYNUSGCUROAN-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000093645011 370153371 /nfs/dbraw/zinc/15/33/71/370153371.db2.gz FKFYNUSGCUROAN-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645011 370153373 /nfs/dbraw/zinc/15/33/73/370153373.db2.gz FKFYNUSGCUROAN-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645011 370153378 /nfs/dbraw/zinc/15/33/78/370153378.db2.gz FKFYNUSGCUROAN-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097928942 370257719 /nfs/dbraw/zinc/25/77/19/370257719.db2.gz TUULBVVSRQULGQ-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000112339071 370420553 /nfs/dbraw/zinc/42/05/53/370420553.db2.gz HOGKWFSBKHIFDS-NSHDSACASA-N 2 2 255.321 3.017 20 0 CGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000115610197 370537846 /nfs/dbraw/zinc/53/78/46/370537846.db2.gz VOVVESAHAKLSRN-UHFFFAOYSA-N 2 2 299.349 3.380 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000131206949 371089608 /nfs/dbraw/zinc/08/96/08/371089608.db2.gz XOJBOHCRQXSUFR-CYBMUJFWSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000131206949 371089613 /nfs/dbraw/zinc/08/96/13/371089613.db2.gz XOJBOHCRQXSUFR-CYBMUJFWSA-N 2 2 289.810 3.072 20 0 CGADLP C[N@@H+](CCc1cccc2ccccc21)CCn1cc[nH+]c1 ZINC000131397872 371104717 /nfs/dbraw/zinc/10/47/17/371104717.db2.gz JLJMPWPNQBNWMI-UHFFFAOYSA-N 2 2 279.387 3.211 20 0 CGADLP C[N@H+](CCc1cccc2ccccc21)CCn1cc[nH+]c1 ZINC000131397872 371104721 /nfs/dbraw/zinc/10/47/21/371104721.db2.gz JLJMPWPNQBNWMI-UHFFFAOYSA-N 2 2 279.387 3.211 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)s1 ZINC000131676374 371122563 /nfs/dbraw/zinc/12/25/63/371122563.db2.gz NUJWXJYKIRJXFQ-DYEKYZERSA-N 2 2 278.465 3.202 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)s1 ZINC000131676374 371122568 /nfs/dbraw/zinc/12/25/68/371122568.db2.gz NUJWXJYKIRJXFQ-DYEKYZERSA-N 2 2 278.465 3.202 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131780046 371129163 /nfs/dbraw/zinc/12/91/63/371129163.db2.gz ACUWLJTUMNESTF-OAHLLOKOSA-N 2 2 290.313 3.013 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131780046 371129170 /nfs/dbraw/zinc/12/91/70/371129170.db2.gz ACUWLJTUMNESTF-OAHLLOKOSA-N 2 2 290.313 3.013 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219631 371159229 /nfs/dbraw/zinc/15/92/29/371159229.db2.gz CLTQUQQRHYCVBG-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000132219631 371159234 /nfs/dbraw/zinc/15/92/34/371159234.db2.gz CLTQUQQRHYCVBG-MWLCHTKSSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H](Cc1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000132250711 371161218 /nfs/dbraw/zinc/16/12/18/371161218.db2.gz JNLRYGXOPYZZAE-INIZCTEOSA-N 2 2 283.419 3.399 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000132278649 371164387 /nfs/dbraw/zinc/16/43/87/371164387.db2.gz JHSQZPBBJNXFTK-KRWDZBQOSA-N 2 2 283.419 3.252 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC000537859864 376204742 /nfs/dbraw/zinc/20/47/42/376204742.db2.gz TWMWYIIBRBCPJK-IJEWVQPXSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C2CCCC2)C1 ZINC000537859864 376204748 /nfs/dbraw/zinc/20/47/48/376204748.db2.gz TWMWYIIBRBCPJK-IJEWVQPXSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000537859864 376204752 /nfs/dbraw/zinc/20/47/52/376204752.db2.gz TWMWYIIBRBCPJK-IJEWVQPXSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000537859864 376204757 /nfs/dbraw/zinc/20/47/57/376204757.db2.gz TWMWYIIBRBCPJK-IJEWVQPXSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]([NH2+]Cc1ccoc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000134282355 371319119 /nfs/dbraw/zinc/31/91/19/371319119.db2.gz AXMBKPLKKBLVKW-CYBMUJFWSA-N 2 2 267.332 3.316 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000144749736 371516477 /nfs/dbraw/zinc/51/64/77/371516477.db2.gz UPALRHPUQSTQSM-NSHDSACASA-N 2 2 281.762 3.417 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353309733 220020978 /nfs/dbraw/zinc/02/09/78/220020978.db2.gz DPUXKWWKAYGPOW-SUMWQHHRSA-N 2 2 299.418 3.292 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353309731 220021220 /nfs/dbraw/zinc/02/12/20/220021220.db2.gz DPUXKWWKAYGPOW-GUYCJALGSA-N 2 2 299.418 3.292 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC000421805018 371637296 /nfs/dbraw/zinc/63/72/96/371637296.db2.gz VOCCNQDTDAIOEW-GFCCVEGCSA-N 2 2 295.789 3.287 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2SC)[C@@H](C)C1 ZINC000287590987 371679887 /nfs/dbraw/zinc/67/98/87/371679887.db2.gz RNIBUQRNOCHXQV-WFASDCNBSA-N 2 2 296.455 3.368 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2SC)[C@@H](C)C1 ZINC000287590987 371679892 /nfs/dbraw/zinc/67/98/92/371679892.db2.gz RNIBUQRNOCHXQV-WFASDCNBSA-N 2 2 296.455 3.368 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337348716 214022949 /nfs/dbraw/zinc/02/29/49/214022949.db2.gz ZHFQGOJAVRACRP-AEFFLSMTSA-N 2 2 289.467 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337348716 214022951 /nfs/dbraw/zinc/02/29/51/214022951.db2.gz ZHFQGOJAVRACRP-AEFFLSMTSA-N 2 2 289.467 3.429 20 0 CGADLP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000422707683 371761885 /nfs/dbraw/zinc/76/18/85/371761885.db2.gz ANEVNGLFCZXQFL-VUCTXSBTSA-N 2 2 276.399 3.397 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422722727 371767818 /nfs/dbraw/zinc/76/78/18/371767818.db2.gz YRMGSVYWJOEWQN-GOEBONIOSA-N 2 2 276.424 3.094 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422729431 371769625 /nfs/dbraw/zinc/76/96/25/371769625.db2.gz IASKTIORMKAEPZ-DLBZAZTESA-N 2 2 276.424 3.124 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422733764 371775275 /nfs/dbraw/zinc/77/52/75/371775275.db2.gz RPXYETVUQVOJCD-GYSYKLTISA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000422774199 371797515 /nfs/dbraw/zinc/79/75/15/371797515.db2.gz WBQCBEZXUNKWKZ-RISCZKNCSA-N 2 2 284.856 3.162 20 0 CGADLP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422779427 371800443 /nfs/dbraw/zinc/80/04/43/371800443.db2.gz IRZVBDAAKGNHCR-GLQYFDAESA-N 2 2 266.816 3.379 20 0 CGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422789993 371811699 /nfs/dbraw/zinc/81/16/99/371811699.db2.gz XGYGDMZFFOPGCM-PBHICJAKSA-N 2 2 296.414 3.375 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422797149 371814781 /nfs/dbraw/zinc/81/47/81/371814781.db2.gz LEAUNHMKUVEAQI-SCLBCKFNSA-N 2 2 284.403 3.079 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(OC(C)C)c1 ZINC000422872697 371848994 /nfs/dbraw/zinc/84/89/94/371848994.db2.gz IIVRKQUYCLGZQU-GDBMZVCRSA-N 2 2 276.424 3.012 20 0 CGADLP COc1cc(C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875563 371849829 /nfs/dbraw/zinc/84/98/29/371849829.db2.gz PEMAHAKYMZPBRE-IRXDYDNUSA-N 2 2 282.387 3.238 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422879902 371852086 /nfs/dbraw/zinc/85/20/86/371852086.db2.gz WBUDVPDHMGIACC-UKRRQHHQSA-N 2 2 278.465 3.337 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000289964609 371865336 /nfs/dbraw/zinc/86/53/36/371865336.db2.gz BIZFURJYMUKBQF-SFHVURJKSA-N 2 2 290.451 3.244 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2ccncc2)[nH+]1 ZINC000289875086 371842307 /nfs/dbraw/zinc/84/23/07/371842307.db2.gz ROXYXCSFPISEDA-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2ccncc2)[nH+]1 ZINC000289875086 371842312 /nfs/dbraw/zinc/84/23/12/371842312.db2.gz ROXYXCSFPISEDA-MRXNPFEDSA-N 2 2 278.359 3.066 20 0 CGADLP COCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccco1 ZINC000423050208 371934750 /nfs/dbraw/zinc/93/47/50/371934750.db2.gz YJKXMPYNCODZAR-OWCLPIDISA-N 2 2 286.375 3.092 20 0 CGADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423063577 371940999 /nfs/dbraw/zinc/94/09/99/371940999.db2.gz PGAXWDQCSZLYIF-MRVWCRGKSA-N 2 2 286.341 3.063 20 0 CGADLP COc1cccc(C2([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422960584 371893809 /nfs/dbraw/zinc/89/38/09/371893809.db2.gz WWZNDJZDYIZSBJ-ROUUACIJSA-N 2 2 294.398 3.419 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000155773239 371943625 /nfs/dbraw/zinc/94/36/25/371943625.db2.gz YXNCHLHRLYCHRA-HUUCEWRRSA-N 2 2 278.440 3.117 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000155773239 371943633 /nfs/dbraw/zinc/94/36/33/371943633.db2.gz YXNCHLHRLYCHRA-HUUCEWRRSA-N 2 2 278.440 3.117 20 0 CGADLP CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423006150 371912570 /nfs/dbraw/zinc/91/25/70/371912570.db2.gz UGNPSKONMFTXCZ-HUUCEWRRSA-N 2 2 278.465 3.126 20 0 CGADLP COc1cc(F)cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423016858 371917016 /nfs/dbraw/zinc/91/70/16/371917016.db2.gz NLJNHUKLRGAZTK-IRXDYDNUSA-N 2 2 286.350 3.069 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000156196237 371965425 /nfs/dbraw/zinc/96/54/25/371965425.db2.gz JJFMVSYYMXHPOC-DLBZAZTESA-N 2 2 278.440 3.084 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C1Cc2ccccc2C1 ZINC000290367083 371973078 /nfs/dbraw/zinc/97/30/78/371973078.db2.gz NDWLATPQTPTVBQ-UHFFFAOYSA-N 2 2 266.388 3.080 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@H]1CCCC[NH2+]1 ZINC000423122779 371977451 /nfs/dbraw/zinc/97/74/51/371977451.db2.gz CXJMKXPNXSAIHV-YVEFUNNKSA-N 2 2 276.399 3.323 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000290471413 371996749 /nfs/dbraw/zinc/99/67/49/371996749.db2.gz UTVKQBBUFRSSCA-VAMGGRTRSA-N 2 2 292.426 3.498 20 0 CGADLP C[C@@H](CF)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000290254768 371948462 /nfs/dbraw/zinc/94/84/62/371948462.db2.gz WCDFAYUZBPFWSW-LBPRGKRZSA-N 2 2 284.806 3.252 20 0 CGADLP C[C@H](CF)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000290254764 371948602 /nfs/dbraw/zinc/94/86/02/371948602.db2.gz WCDFAYUZBPFWSW-GFCCVEGCSA-N 2 2 284.806 3.252 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)oc2c1 ZINC000423191710 372017169 /nfs/dbraw/zinc/01/71/69/372017169.db2.gz PAGQVHHYZOKFLQ-GXTWGEPZSA-N 2 2 258.365 3.144 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192111 372017235 /nfs/dbraw/zinc/01/72/35/372017235.db2.gz PJJGBDYLOLRCDF-OLZOCXBDSA-N 2 2 272.392 3.398 20 0 CGADLP COc1ccc([C@@H](CCC(C)C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423203165 372026899 /nfs/dbraw/zinc/02/68/99/372026899.db2.gz MHTYDBPCVGSVGY-DOTOQJQBSA-N 2 2 276.424 3.124 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423205182 372028354 /nfs/dbraw/zinc/02/83/54/372028354.db2.gz BAXHBIWVRHCMSH-UKRRQHHQSA-N 2 2 273.424 3.377 20 0 CGADLP Clc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423211200 372032861 /nfs/dbraw/zinc/03/28/61/372032861.db2.gz IGSYZUSYVHTPJX-HUUCEWRRSA-N 2 2 264.800 3.133 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000423222603 372040313 /nfs/dbraw/zinc/04/03/13/372040313.db2.gz BTZMNVWVKFKDCM-GFCCVEGCSA-N 2 2 260.406 3.285 20 0 CGADLP Fc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423239018 372041304 /nfs/dbraw/zinc/04/13/04/372041304.db2.gz RNILPTCOYAAFKP-MJGOQNOKSA-N 2 2 298.405 3.451 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423285661 372048282 /nfs/dbraw/zinc/04/82/82/372048282.db2.gz ZMVCLVDJHDFERD-KBPBESRZSA-N 2 2 282.815 3.127 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000423370711 372055781 /nfs/dbraw/zinc/05/57/81/372055781.db2.gz DUGIBOPHVGQLHD-HIFRSBDPSA-N 2 2 264.413 3.042 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000157099671 372007013 /nfs/dbraw/zinc/00/70/13/372007013.db2.gz VJJAFVPYJLOYPU-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000157099671 372007021 /nfs/dbraw/zinc/00/70/21/372007021.db2.gz VJJAFVPYJLOYPU-SWLSCSKDSA-N 2 2 278.827 3.097 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(F)c1 ZINC000423182576 372011473 /nfs/dbraw/zinc/01/14/73/372011473.db2.gz QJKHFWXIYXDKGN-GFCCVEGCSA-N 2 2 280.387 3.147 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000423395501 372059585 /nfs/dbraw/zinc/05/95/85/372059585.db2.gz STUVXEPQUXWBQI-HIFRSBDPSA-N 2 2 262.397 3.025 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000158538822 372072807 /nfs/dbraw/zinc/07/28/07/372072807.db2.gz DFQBCDBEMUGZPK-KRWDZBQOSA-N 2 2 273.424 3.139 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)cc1 ZINC000427868154 372177303 /nfs/dbraw/zinc/17/73/03/372177303.db2.gz CWVSBSJYUNJBSV-MSOLQXFVSA-N 2 2 297.446 3.363 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427859234 372177312 /nfs/dbraw/zinc/17/73/12/372177312.db2.gz VOILQTUVWBOUTA-WBVHZDCISA-N 2 2 285.366 3.078 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(Br)c1 ZINC000040671839 541867936 /nfs/dbraw/zinc/86/79/36/541867936.db2.gz QNXTZIATMXCGSM-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000040671839 541867941 /nfs/dbraw/zinc/86/79/41/541867941.db2.gz QNXTZIATMXCGSM-SMDDNHRTSA-N 2 2 297.240 3.194 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672492 541870061 /nfs/dbraw/zinc/87/00/61/541870061.db2.gz RXOARILMVBBYTP-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000040672492 541870063 /nfs/dbraw/zinc/87/00/63/541870063.db2.gz RXOARILMVBBYTP-DGCLKSJQSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672586 541869262 /nfs/dbraw/zinc/86/92/62/541869262.db2.gz GIWQSMIXPROXAO-KDOFPFPSSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000040672586 541869265 /nfs/dbraw/zinc/86/92/65/541869265.db2.gz GIWQSMIXPROXAO-KDOFPFPSSA-N 2 2 272.436 3.310 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344299052 217139001 /nfs/dbraw/zinc/13/90/01/217139001.db2.gz GCPREUVHOWGUPS-MAUKXSAKSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344299052 217139004 /nfs/dbraw/zinc/13/90/04/217139004.db2.gz GCPREUVHOWGUPS-MAUKXSAKSA-N 2 2 290.451 3.294 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428747264 372260665 /nfs/dbraw/zinc/26/06/65/372260665.db2.gz IUNPGQBFHCDJOJ-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428747264 372260671 /nfs/dbraw/zinc/26/06/71/372260671.db2.gz IUNPGQBFHCDJOJ-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000344318796 217148341 /nfs/dbraw/zinc/14/83/41/217148341.db2.gz BDGMHTAFKBFFDH-BXUZGUMPSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(Br)c2)CCC[N@H+]1C ZINC000344318796 217148342 /nfs/dbraw/zinc/14/83/42/217148342.db2.gz BDGMHTAFKBFFDH-BXUZGUMPSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2csc3ccccc23)CCC[N@@H+]1C ZINC000344333447 217155755 /nfs/dbraw/zinc/15/57/55/217155755.db2.gz PRHIKOGNTVGSGS-SWLSCSKDSA-N 2 2 274.433 3.474 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2csc3ccccc23)CCC[N@H+]1C ZINC000344333447 217155757 /nfs/dbraw/zinc/15/57/57/217155757.db2.gz PRHIKOGNTVGSGS-SWLSCSKDSA-N 2 2 274.433 3.474 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000293372397 372368226 /nfs/dbraw/zinc/36/82/26/372368226.db2.gz HXIQEOBEJGWLGH-IRXDYDNUSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000293372397 372368233 /nfs/dbraw/zinc/36/82/33/372368233.db2.gz HXIQEOBEJGWLGH-IRXDYDNUSA-N 2 2 288.410 3.420 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@H+](C)[C@H]3C)ccc2c1 ZINC000344341119 217159079 /nfs/dbraw/zinc/15/90/79/217159079.db2.gz BOWKODYLXIKYGI-LIRRHRJNSA-N 2 2 298.430 3.421 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+](C)[C@H]3C)ccc2c1 ZINC000344341119 217159082 /nfs/dbraw/zinc/15/90/82/217159082.db2.gz BOWKODYLXIKYGI-LIRRHRJNSA-N 2 2 298.430 3.421 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761548 372473071 /nfs/dbraw/zinc/47/30/71/372473071.db2.gz JYUSTWWBLSERHI-CABCVRRESA-N 2 2 259.397 3.478 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)[nH]1 ZINC000293761548 372473074 /nfs/dbraw/zinc/47/30/74/372473074.db2.gz JYUSTWWBLSERHI-CABCVRRESA-N 2 2 259.397 3.478 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(C)cc1 ZINC000163290381 372459322 /nfs/dbraw/zinc/45/93/22/372459322.db2.gz WTHIOKVHSBFKCB-ZWKOTPCHSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(C)cc1 ZINC000163290381 372459333 /nfs/dbraw/zinc/45/93/33/372459333.db2.gz WTHIOKVHSBFKCB-ZWKOTPCHSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000163453570 372471711 /nfs/dbraw/zinc/47/17/11/372471711.db2.gz KEGRZZFTBXMFAJ-OAHLLOKOSA-N 2 2 261.344 3.153 20 0 CGADLP Cc1ncc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000344416636 217186622 /nfs/dbraw/zinc/18/66/22/217186622.db2.gz JLNQLKXYLSDVON-AWEZNQCLSA-N 2 2 298.434 3.004 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163689768 372488010 /nfs/dbraw/zinc/48/80/10/372488010.db2.gz RDMIUSPLMMCZJB-HZPDHXFCSA-N 2 2 290.451 3.043 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1 ZINC000163799112 372493318 /nfs/dbraw/zinc/49/33/18/372493318.db2.gz MNKLAOMNPRUYKG-CQSZACIVSA-N 2 2 255.365 3.234 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000163847868 372494989 /nfs/dbraw/zinc/49/49/89/372494989.db2.gz JVFTYKQFJSPAMF-ZDUSSCGKSA-N 2 2 273.355 3.374 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163848725 372495181 /nfs/dbraw/zinc/49/51/81/372495181.db2.gz NDLLNQFKJNLRHD-AWEZNQCLSA-N 2 2 285.391 3.243 20 0 CGADLP COC1(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000293879131 372511262 /nfs/dbraw/zinc/51/12/62/372511262.db2.gz TYLFESUWGZJTRL-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434783107 372709336 /nfs/dbraw/zinc/70/93/36/372709336.db2.gz GGPNTAQBVNOALP-NEWSRXKRSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434783107 372709345 /nfs/dbraw/zinc/70/93/45/372709345.db2.gz GGPNTAQBVNOALP-NEWSRXKRSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000434787826 372711087 /nfs/dbraw/zinc/71/10/87/372711087.db2.gz WKZDGQAVFNIWKX-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP CCCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC)cc1 ZINC000171440464 372762611 /nfs/dbraw/zinc/76/26/11/372762611.db2.gz VPXYYYGCEXNUPV-MRXNPFEDSA-N 2 2 273.380 3.439 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000344553339 217229946 /nfs/dbraw/zinc/22/99/46/217229946.db2.gz LUWBUBWVRKEOFD-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344553339 217229948 /nfs/dbraw/zinc/22/99/48/217229948.db2.gz LUWBUBWVRKEOFD-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1cccc2[nH+]c(Cn3c[nH+]c4c3C[C@@H](C)[C@@H](C)C4)cn21 ZINC000295713007 372885275 /nfs/dbraw/zinc/88/52/75/372885275.db2.gz GGRKLOYMJRNTBA-QWHCGFSZSA-N 2 2 294.402 3.258 20 0 CGADLP CC[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C(C)C ZINC000353494807 220117223 /nfs/dbraw/zinc/11/72/23/220117223.db2.gz FNRRUOWZJSEOGJ-MRXNPFEDSA-N 2 2 292.471 3.351 20 0 CGADLP CC[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)C(C)C ZINC000353494807 220117225 /nfs/dbraw/zinc/11/72/25/220117225.db2.gz FNRRUOWZJSEOGJ-MRXNPFEDSA-N 2 2 292.471 3.351 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[N@@H+]1C ZINC000353529120 220139852 /nfs/dbraw/zinc/13/98/52/220139852.db2.gz IIFJMMBPPKGLST-VNQPRFMTSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[N@H+]1C ZINC000353529120 220139854 /nfs/dbraw/zinc/13/98/54/220139854.db2.gz IIFJMMBPPKGLST-VNQPRFMTSA-N 2 2 290.455 3.103 20 0 CGADLP CCC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353529654 220140709 /nfs/dbraw/zinc/14/07/09/220140709.db2.gz KBWSXXCJECERPH-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CCC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353529654 220140712 /nfs/dbraw/zinc/14/07/12/220140712.db2.gz KBWSXXCJECERPH-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP COCC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296193891 373048922 /nfs/dbraw/zinc/04/89/22/373048922.db2.gz YRDBMIZPPAHQFL-LBPRGKRZSA-N 2 2 293.798 3.040 20 0 CGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000442706866 373068280 /nfs/dbraw/zinc/06/82/80/373068280.db2.gz FOORLNHHVKFHSI-HNNXBMFYSA-N 2 2 297.446 3.101 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442707326 373068471 /nfs/dbraw/zinc/06/84/71/373068471.db2.gz GGUDJSIWYCROSS-HSBZDZAISA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442707326 373068475 /nfs/dbraw/zinc/06/84/75/373068475.db2.gz GGUDJSIWYCROSS-HSBZDZAISA-N 2 2 274.399 3.274 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000442776804 373078040 /nfs/dbraw/zinc/07/80/40/373078040.db2.gz HNNXUCWXGPLAPB-STQMWFEESA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000442776804 373078045 /nfs/dbraw/zinc/07/80/45/373078045.db2.gz HNNXUCWXGPLAPB-STQMWFEESA-N 2 2 276.449 3.296 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442795158 373086988 /nfs/dbraw/zinc/08/69/88/373086988.db2.gz UTWAJJLVIKSYLH-RUXDESIVSA-N 2 2 274.399 3.274 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442795158 373087000 /nfs/dbraw/zinc/08/70/00/373087000.db2.gz UTWAJJLVIKSYLH-RUXDESIVSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000296423106 373127659 /nfs/dbraw/zinc/12/76/59/373127659.db2.gz MSBMFGLUSNOJJI-UHFFFAOYSA-N 2 2 298.415 3.235 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000296669288 373215947 /nfs/dbraw/zinc/21/59/47/373215947.db2.gz KQRPAVJMTJSDQU-BFYDXBDKSA-N 2 2 269.392 3.150 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000296669288 373215956 /nfs/dbraw/zinc/21/59/56/373215956.db2.gz KQRPAVJMTJSDQU-BFYDXBDKSA-N 2 2 269.392 3.150 20 0 CGADLP Fc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173875575 373206823 /nfs/dbraw/zinc/20/68/23/373206823.db2.gz RTYHYEYVZCXKRM-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173875575 373206832 /nfs/dbraw/zinc/20/68/32/373206832.db2.gz RTYHYEYVZCXKRM-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000444731752 373253922 /nfs/dbraw/zinc/25/39/22/373253922.db2.gz JQAIMQMPERALLZ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c1 ZINC000444731752 373253933 /nfs/dbraw/zinc/25/39/33/373253933.db2.gz JQAIMQMPERALLZ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000444731752 373253934 /nfs/dbraw/zinc/25/39/34/373253934.db2.gz JQAIMQMPERALLZ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(F)c(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c1 ZINC000444731752 373253936 /nfs/dbraw/zinc/25/39/36/373253936.db2.gz JQAIMQMPERALLZ-OAHLLOKOSA-N 2 2 264.388 3.050 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000353620750 220197153 /nfs/dbraw/zinc/19/71/53/220197153.db2.gz ZUCXFETXYJTJAL-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000353620750 220197154 /nfs/dbraw/zinc/19/71/54/220197154.db2.gz ZUCXFETXYJTJAL-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726030 373510008 /nfs/dbraw/zinc/51/00/08/373510008.db2.gz XPTBDLJKKKTSBE-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726030 373510017 /nfs/dbraw/zinc/51/00/17/373510017.db2.gz XPTBDLJKKKTSBE-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726030 373510021 /nfs/dbraw/zinc/51/00/21/373510021.db2.gz XPTBDLJKKKTSBE-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2F)[C@H](C)C1 ZINC000175726030 373510027 /nfs/dbraw/zinc/51/00/27/373510027.db2.gz XPTBDLJKKKTSBE-WBMJQRKESA-N 2 2 282.378 3.127 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447940290 373527635 /nfs/dbraw/zinc/52/76/35/373527635.db2.gz HQUVAQUOWXBSEE-UHFFFAOYSA-N 2 2 281.469 3.015 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000300411785 373629640 /nfs/dbraw/zinc/62/96/40/373629640.db2.gz QCVRNDFPHPDXAI-BPUTZDHNSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000300411785 373629645 /nfs/dbraw/zinc/62/96/45/373629645.db2.gz QCVRNDFPHPDXAI-BPUTZDHNSA-N 2 2 252.446 3.274 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000177807201 373711429 /nfs/dbraw/zinc/71/14/29/373711429.db2.gz DFNRDWDBWDJYOE-MRXNPFEDSA-N 2 2 299.418 3.308 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCC1 ZINC000177895607 373722220 /nfs/dbraw/zinc/72/22/20/373722220.db2.gz SXYXXFBDXJRJKE-CQSZACIVSA-N 2 2 269.392 3.210 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccoc1 ZINC000177897125 373722269 /nfs/dbraw/zinc/72/22/69/373722269.db2.gz PLQJBCOEUYAMOU-AWEZNQCLSA-N 2 2 281.359 3.375 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657761 220231029 /nfs/dbraw/zinc/23/10/29/220231029.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657761 220231031 /nfs/dbraw/zinc/23/10/31/220231031.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657761 220231033 /nfs/dbraw/zinc/23/10/33/220231033.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657761 220231035 /nfs/dbraw/zinc/23/10/35/220231035.db2.gz HICDXNPFMJNYBP-WMZOPIPTSA-N 3 2 289.467 3.127 20 0 CGADLP Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc[nH+]1 ZINC000302222753 373831892 /nfs/dbraw/zinc/83/18/92/373831892.db2.gz OVRWXSMGUZKPME-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC1CCCCC1 ZINC000179664385 373901560 /nfs/dbraw/zinc/90/15/60/373901560.db2.gz PISVPLJKQFAWOY-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC1CCCCC1 ZINC000179664385 373901571 /nfs/dbraw/zinc/90/15/71/373901571.db2.gz PISVPLJKQFAWOY-UHFFFAOYSA-N 2 2 257.381 3.346 20 0 CGADLP COCC1(C[NH2+]CCCc2c[nH+]ccc2C)CCCC1 ZINC000449741731 373871860 /nfs/dbraw/zinc/87/18/60/373871860.db2.gz LNTZFPFRKUKXMK-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C(C)C)CC1 ZINC000302656147 373917333 /nfs/dbraw/zinc/91/73/33/373917333.db2.gz OBKWXVOMSRKOJR-UHFFFAOYSA-N 2 2 299.418 3.082 20 0 CGADLP COc1cccc2c(NC[C@@H](C3CC3)[NH+](C)C)c(C)c[nH+]c12 ZINC000302666873 373919963 /nfs/dbraw/zinc/91/99/63/373919963.db2.gz QGXUJKRVIIVURP-HNNXBMFYSA-N 2 2 299.418 3.304 20 0 CGADLP CC(C)OCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000180413979 374001056 /nfs/dbraw/zinc/00/10/56/374001056.db2.gz KAXFOMJAZNTYRO-UHFFFAOYSA-N 2 2 292.467 3.302 20 0 CGADLP CC(C)OCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000180413979 374001060 /nfs/dbraw/zinc/00/10/60/374001060.db2.gz KAXFOMJAZNTYRO-UHFFFAOYSA-N 2 2 292.467 3.302 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C12CCC2 ZINC000180749078 374041285 /nfs/dbraw/zinc/04/12/85/374041285.db2.gz CGWJSDXOJFALSU-HZPDHXFCSA-N 2 2 299.418 3.114 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353679924 220249695 /nfs/dbraw/zinc/24/96/95/220249695.db2.gz IDCNVHFATRYIKB-HIFRSBDPSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353679924 220249699 /nfs/dbraw/zinc/24/96/99/220249699.db2.gz IDCNVHFATRYIKB-HIFRSBDPSA-N 2 2 272.417 3.085 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC[C@H]1C ZINC000450459829 374144063 /nfs/dbraw/zinc/14/40/63/374144063.db2.gz YGCAVXRLRUHPMS-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)CC[C@H]1C ZINC000450459829 374144068 /nfs/dbraw/zinc/14/40/68/374144068.db2.gz YGCAVXRLRUHPMS-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000450459829 374144078 /nfs/dbraw/zinc/14/40/78/374144078.db2.gz YGCAVXRLRUHPMS-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000450459829 374144083 /nfs/dbraw/zinc/14/40/83/374144083.db2.gz YGCAVXRLRUHPMS-BZUAXINKSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000308758778 374177123 /nfs/dbraw/zinc/17/71/23/374177123.db2.gz XFVDDXWPEDFOSO-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000308758778 374177128 /nfs/dbraw/zinc/17/71/28/374177128.db2.gz XFVDDXWPEDFOSO-RDJZCZTQSA-N 2 2 290.451 3.054 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccsc1Cl ZINC000309970155 374204499 /nfs/dbraw/zinc/20/44/99/374204499.db2.gz PBIBHASLKQAIPT-UHFFFAOYSA-N 2 2 260.834 3.079 20 0 CGADLP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452047341 374215844 /nfs/dbraw/zinc/21/58/44/374215844.db2.gz ZVPKIYACJJUQDR-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP COC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452047341 374215850 /nfs/dbraw/zinc/21/58/50/374215850.db2.gz ZVPKIYACJJUQDR-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000181907353 374190146 /nfs/dbraw/zinc/19/01/46/374190146.db2.gz OFNGRJMTFLVNPK-SJORKVTESA-N 2 2 290.451 3.002 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181907353 374190152 /nfs/dbraw/zinc/19/01/52/374190152.db2.gz OFNGRJMTFLVNPK-SJORKVTESA-N 2 2 290.451 3.002 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000314410109 374317720 /nfs/dbraw/zinc/31/77/20/374317720.db2.gz XSFMNOZLXUGCBX-RBUKOAKNSA-N 2 2 280.415 3.046 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000314410109 374317729 /nfs/dbraw/zinc/31/77/29/374317729.db2.gz XSFMNOZLXUGCBX-RBUKOAKNSA-N 2 2 280.415 3.046 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343474 374363025 /nfs/dbraw/zinc/36/30/25/374363025.db2.gz LOBLDHKNOBPXAF-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343474 374363034 /nfs/dbraw/zinc/36/30/34/374363034.db2.gz LOBLDHKNOBPXAF-SMDDNHRTSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2sccc21 ZINC000453066180 374363024 /nfs/dbraw/zinc/36/30/24/374363024.db2.gz IEQQAVIJVSHYDX-DYEKYZERSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2sccc21 ZINC000453066180 374363032 /nfs/dbraw/zinc/36/30/32/374363032.db2.gz IEQQAVIJVSHYDX-DYEKYZERSA-N 2 2 264.438 3.370 20 0 CGADLP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183182190 374381448 /nfs/dbraw/zinc/38/14/48/374381448.db2.gz XZPQEUBODIJUTD-SFHVURJKSA-N 2 2 298.434 3.176 20 0 CGADLP CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183182190 374381456 /nfs/dbraw/zinc/38/14/56/374381456.db2.gz XZPQEUBODIJUTD-SFHVURJKSA-N 2 2 298.434 3.176 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000086725215 541939022 /nfs/dbraw/zinc/93/90/22/541939022.db2.gz GOUFETLNJLKNNG-WCBMZHEXSA-N 2 2 259.180 3.006 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334901 374428147 /nfs/dbraw/zinc/42/81/47/374428147.db2.gz XLBCTTHMQWNDME-UHNFBRDESA-N 2 2 296.817 3.470 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000453334901 374428158 /nfs/dbraw/zinc/42/81/58/374428158.db2.gz XLBCTTHMQWNDME-UHNFBRDESA-N 2 2 296.817 3.470 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000184730435 374554086 /nfs/dbraw/zinc/55/40/86/374554086.db2.gz ZGOVLTNYDIDLCI-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000184730435 374554092 /nfs/dbraw/zinc/55/40/92/374554092.db2.gz ZGOVLTNYDIDLCI-KRWDZBQOSA-N 2 2 297.446 3.492 20 0 CGADLP CCSc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000185496452 374674547 /nfs/dbraw/zinc/67/45/47/374674547.db2.gz APRFAVQPWYYJAF-AWEZNQCLSA-N 2 2 289.448 3.421 20 0 CGADLP CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000185869021 374756143 /nfs/dbraw/zinc/75/61/43/374756143.db2.gz IJHMHONSVZIGQN-MRXNPFEDSA-N 2 2 284.407 3.422 20 0 CGADLP CCC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000185869021 374756150 /nfs/dbraw/zinc/75/61/50/374756150.db2.gz IJHMHONSVZIGQN-MRXNPFEDSA-N 2 2 284.407 3.422 20 0 CGADLP COc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000185675426 374712260 /nfs/dbraw/zinc/71/22/60/374712260.db2.gz XDSVZVKEBNJQEV-DNVCBOLYSA-N 2 2 298.430 3.476 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413097 374729092 /nfs/dbraw/zinc/72/90/92/374729092.db2.gz MHZJUYTWWUDHBU-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(F)c1 ZINC000334413097 374729098 /nfs/dbraw/zinc/72/90/98/374729098.db2.gz MHZJUYTWWUDHBU-MWLCHTKSSA-N 2 2 293.773 3.410 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cccc(Cl)c2C1 ZINC000459697439 374815482 /nfs/dbraw/zinc/81/54/82/374815482.db2.gz YOIFUSAWMKNZIG-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cccc(Cl)c2C1 ZINC000459697439 374815490 /nfs/dbraw/zinc/81/54/90/374815490.db2.gz YOIFUSAWMKNZIG-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459697439 374815496 /nfs/dbraw/zinc/81/54/96/374815496.db2.gz YOIFUSAWMKNZIG-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459697439 374815501 /nfs/dbraw/zinc/81/55/01/374815501.db2.gz YOIFUSAWMKNZIG-AWEZNQCLSA-N 2 2 278.827 3.182 20 0 CGADLP CCCc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000186902810 374936591 /nfs/dbraw/zinc/93/65/91/374936591.db2.gz KJGIEHAGXHINSI-UHFFFAOYSA-N 2 2 260.425 3.165 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2ccccc21 ZINC000335035308 375084977 /nfs/dbraw/zinc/08/49/77/375084977.db2.gz USFHBEPXSLKKDE-HZPDHXFCSA-N 2 2 274.314 3.199 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC(F)(F)C3)c[nH+]c12 ZINC000335046244 375089627 /nfs/dbraw/zinc/08/96/27/375089627.db2.gz XEBRMQIHBRYUSE-GFCCVEGCSA-N 2 2 279.334 3.310 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000475484650 375133709 /nfs/dbraw/zinc/13/37/09/375133709.db2.gz DPKYPVOHKNVNBX-IGNZVWTISA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000475484650 375133716 /nfs/dbraw/zinc/13/37/16/375133716.db2.gz DPKYPVOHKNVNBX-IGNZVWTISA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000475501204 375134823 /nfs/dbraw/zinc/13/48/23/375134823.db2.gz DPKYPVOHKNVNBX-JBBXEZCESA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000475501204 375134827 /nfs/dbraw/zinc/13/48/27/375134827.db2.gz DPKYPVOHKNVNBX-JBBXEZCESA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000488407118 375308270 /nfs/dbraw/zinc/30/82/70/375308270.db2.gz DSHQUDAPUJQCPA-RHSMWYFYSA-N 2 2 272.436 3.069 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000488407118 375308278 /nfs/dbraw/zinc/30/82/78/375308278.db2.gz DSHQUDAPUJQCPA-RHSMWYFYSA-N 2 2 272.436 3.069 20 0 CGADLP O=C(/C=C/C1CCCCC1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491894187 375361234 /nfs/dbraw/zinc/36/12/34/375361234.db2.gz RKTDWJYLLFHBQY-VOTSOKGWSA-N 2 2 296.374 3.342 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000189373215 375377644 /nfs/dbraw/zinc/37/76/44/375377644.db2.gz YNJZAORGQSZJNP-UONOGXRCSA-N 2 2 284.806 3.442 20 0 CGADLP Cc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000335786599 375429697 /nfs/dbraw/zinc/42/96/97/375429697.db2.gz HSNLEUHBXHFODE-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336036036 375636595 /nfs/dbraw/zinc/63/65/95/375636595.db2.gz HHCUMOVEKGCGKR-KDOFPFPSSA-N 2 2 297.402 3.088 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336036036 375636600 /nfs/dbraw/zinc/63/66/00/375636600.db2.gz HHCUMOVEKGCGKR-KDOFPFPSSA-N 2 2 297.402 3.088 20 0 CGADLP CCC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192132721 375701383 /nfs/dbraw/zinc/70/13/83/375701383.db2.gz MPZAFWWQNCDFBO-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CCC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192132721 375701384 /nfs/dbraw/zinc/70/13/84/375701384.db2.gz MPZAFWWQNCDFBO-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000128243962 542051408 /nfs/dbraw/zinc/05/14/08/542051408.db2.gz KWFVQSDTYJNQOV-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000128243962 542051411 /nfs/dbraw/zinc/05/14/11/542051411.db2.gz KWFVQSDTYJNQOV-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192925949 375803657 /nfs/dbraw/zinc/80/36/57/375803657.db2.gz MLPSRQHUNKAFTF-INIZCTEOSA-N 3 2 298.434 3.009 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000130629580 542064548 /nfs/dbraw/zinc/06/45/48/542064548.db2.gz PCUTWNNDAPEOAG-KRWDZBQOSA-N 2 2 295.361 3.293 20 0 CGADLP C[NH+](C)C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000130768504 542065430 /nfs/dbraw/zinc/06/54/30/542065430.db2.gz DPNNCLOMVBSSPV-QGZVFWFLSA-N 2 2 276.399 3.229 20 0 CGADLP Cc1ccc([C@@H]2CC[N@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000519589399 375848099 /nfs/dbraw/zinc/84/80/99/375848099.db2.gz LFJLQGKTQUUWDH-MRXNPFEDSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@@H]2CC[N@@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000519589399 375848102 /nfs/dbraw/zinc/84/81/02/375848102.db2.gz LFJLQGKTQUUWDH-MRXNPFEDSA-N 2 2 260.425 3.172 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cc2ccccc2o1 ZINC000516584065 375822161 /nfs/dbraw/zinc/82/21/61/375822161.db2.gz NHRMLXYIRAFFMY-UHFFFAOYSA-N 2 2 270.376 3.136 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cc2ccccc2o1 ZINC000516584065 375822167 /nfs/dbraw/zinc/82/21/67/375822167.db2.gz NHRMLXYIRAFFMY-UHFFFAOYSA-N 2 2 270.376 3.136 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000194057370 375956456 /nfs/dbraw/zinc/95/64/56/375956456.db2.gz IIKYEULJBPPKAF-KCXAZCMYSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000194057370 375956462 /nfs/dbraw/zinc/95/64/62/375956462.db2.gz IIKYEULJBPPKAF-KCXAZCMYSA-N 2 2 296.842 3.100 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1Cl ZINC000193718691 375915155 /nfs/dbraw/zinc/91/51/55/375915155.db2.gz SSTYEUUEECCZNK-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000193731370 375915441 /nfs/dbraw/zinc/91/54/41/375915441.db2.gz CSYBATXAVYZUND-UHFFFAOYSA-N 2 2 263.772 3.025 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1csc(Cl)c1Cl ZINC000336728404 375923382 /nfs/dbraw/zinc/92/33/82/375923382.db2.gz CNNDRQREMIPYEL-QMMMGPOBSA-N 2 2 281.252 3.485 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000535050726 376017378 /nfs/dbraw/zinc/01/73/78/376017378.db2.gz NBGLKVJRLMFBBJ-HIFRSBDPSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000535050726 376017380 /nfs/dbraw/zinc/01/73/80/376017380.db2.gz NBGLKVJRLMFBBJ-HIFRSBDPSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000535050726 376017383 /nfs/dbraw/zinc/01/73/83/376017383.db2.gz NBGLKVJRLMFBBJ-HIFRSBDPSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]1c2c(F)cccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000535050726 376017386 /nfs/dbraw/zinc/01/73/86/376017386.db2.gz NBGLKVJRLMFBBJ-HIFRSBDPSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478272 296239103 /nfs/dbraw/zinc/23/91/03/296239103.db2.gz KLCHCGPEDSEMON-QWHCGFSZSA-N 2 2 266.816 3.285 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478272 296239106 /nfs/dbraw/zinc/23/91/06/296239106.db2.gz KLCHCGPEDSEMON-QWHCGFSZSA-N 2 2 266.816 3.285 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(Cl)c1 ZINC000337202194 376132789 /nfs/dbraw/zinc/13/27/89/376132789.db2.gz DSKCRIRGWCSHGT-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(Cl)c1 ZINC000337202194 376132800 /nfs/dbraw/zinc/13/28/00/376132800.db2.gz DSKCRIRGWCSHGT-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000221147546 376212873 /nfs/dbraw/zinc/21/28/73/376212873.db2.gz BOWVVLRPVLKMRH-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000221147546 376212876 /nfs/dbraw/zinc/21/28/76/376212876.db2.gz BOWVVLRPVLKMRH-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP CCC[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000337911522 376247271 /nfs/dbraw/zinc/24/72/71/376247271.db2.gz JHSPJJIQQYIHLV-UHFFFAOYSA-N 2 2 299.418 3.084 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338000501 376252510 /nfs/dbraw/zinc/25/25/10/376252510.db2.gz QDIJAAUEGHMJDQ-KBMXLJTQSA-N 2 2 250.430 3.029 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000225620464 376318300 /nfs/dbraw/zinc/31/83/00/376318300.db2.gz PBTOCXCZRGFGKX-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000225620464 376318310 /nfs/dbraw/zinc/31/83/10/376318310.db2.gz PBTOCXCZRGFGKX-ROUUACIJSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000539046634 376288779 /nfs/dbraw/zinc/28/87/79/376288779.db2.gz LYIYXAZDRHLDLQ-DAYGRLMNSA-N 2 2 274.452 3.281 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000539046634 376288782 /nfs/dbraw/zinc/28/87/82/376288782.db2.gz LYIYXAZDRHLDLQ-DAYGRLMNSA-N 2 2 274.452 3.281 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000539086570 376293755 /nfs/dbraw/zinc/29/37/55/376293755.db2.gz BTNFMOUALQBRLQ-BXWFABGCSA-N 2 2 286.463 3.307 20 0 CGADLP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000539086570 376293763 /nfs/dbraw/zinc/29/37/63/376293763.db2.gz BTNFMOUALQBRLQ-BXWFABGCSA-N 2 2 286.463 3.307 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2sccc2Cl)CC1 ZINC000338546242 376419755 /nfs/dbraw/zinc/41/97/55/376419755.db2.gz MVOILUXFPYPYMM-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2sccc2Cl)CC1 ZINC000338546242 376419758 /nfs/dbraw/zinc/41/97/58/376419758.db2.gz MVOILUXFPYPYMM-UHFFFAOYSA-N 2 2 272.845 3.318 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCO[C@H]3C)ccc2n1C1CC1 ZINC000338449243 376378745 /nfs/dbraw/zinc/37/87/45/376378745.db2.gz WRTJVVNIZMJNKU-WFASDCNBSA-N 2 2 299.418 3.201 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000541207065 376427009 /nfs/dbraw/zinc/42/70/09/376427009.db2.gz PLZGPACXJPIVIZ-BZOOQXSSSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000541207065 376427012 /nfs/dbraw/zinc/42/70/12/376427012.db2.gz PLZGPACXJPIVIZ-BZOOQXSSSA-N 2 2 276.399 3.003 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338686033 376480214 /nfs/dbraw/zinc/48/02/14/376480214.db2.gz BPOMIDSGRYYFBT-PVAVHDDUSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000230408004 376512908 /nfs/dbraw/zinc/51/29/08/376512908.db2.gz YNBWWNWYJYJBLC-GDBMZVCRSA-N 2 2 269.392 3.398 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000230408351 376513441 /nfs/dbraw/zinc/51/34/41/376513441.db2.gz YLPWXAKDLZNLMM-GJZGRUSLSA-N 2 2 273.424 3.076 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000230998861 376551579 /nfs/dbraw/zinc/55/15/79/376551579.db2.gz VTAZFHRYVTUIGX-HUUCEWRRSA-N 2 2 252.446 3.275 20 0 CGADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000134289626 542082591 /nfs/dbraw/zinc/08/25/91/542082591.db2.gz JEBHNXKFWIXMBP-CYBMUJFWSA-N 2 2 296.201 3.467 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000338921918 376577475 /nfs/dbraw/zinc/57/74/75/376577475.db2.gz PGSLBPIBJBXFKT-UHFFFAOYSA-N 2 2 287.451 3.094 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000232716716 376588498 /nfs/dbraw/zinc/58/84/98/376588498.db2.gz XKZLQIRZXPOAND-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000232716716 376588502 /nfs/dbraw/zinc/58/85/02/376588502.db2.gz XKZLQIRZXPOAND-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000339005642 376622634 /nfs/dbraw/zinc/62/26/34/376622634.db2.gz WOWCFNZHMXYPKT-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cccc(F)c1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000339005642 376622638 /nfs/dbraw/zinc/62/26/38/376622638.db2.gz WOWCFNZHMXYPKT-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(F)c1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000339005642 376622643 /nfs/dbraw/zinc/62/26/43/376622643.db2.gz WOWCFNZHMXYPKT-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(F)c1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000339005642 376622648 /nfs/dbraw/zinc/62/26/48/376622648.db2.gz WOWCFNZHMXYPKT-GFCCVEGCSA-N 2 2 284.806 3.253 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000235197799 376634354 /nfs/dbraw/zinc/63/43/54/376634354.db2.gz BRMAFKSXRZZYAW-ZWNOBZJWSA-N 2 2 281.469 3.189 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000235401036 376638880 /nfs/dbraw/zinc/63/88/80/376638880.db2.gz XVMNADPGIMJTTJ-KDOFPFPSSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1[NH3+] ZINC000235401036 376638883 /nfs/dbraw/zinc/63/88/83/376638883.db2.gz XVMNADPGIMJTTJ-KDOFPFPSSA-N 2 2 266.388 3.133 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000543995133 376692090 /nfs/dbraw/zinc/69/20/90/376692090.db2.gz UOSAFNWHXJDSMI-KTAKPFMOSA-N 2 2 276.399 3.003 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000543995133 376692094 /nfs/dbraw/zinc/69/20/94/376692094.db2.gz UOSAFNWHXJDSMI-KTAKPFMOSA-N 2 2 276.399 3.003 20 0 CGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000236828106 376702947 /nfs/dbraw/zinc/70/29/47/376702947.db2.gz VYFHDBASIGTCIW-MRXNPFEDSA-N 2 2 299.374 3.330 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000339576761 376763536 /nfs/dbraw/zinc/76/35/36/376763536.db2.gz MXIDXDRNIYTBRK-MGPQQGTHSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000339576761 376763538 /nfs/dbraw/zinc/76/35/38/376763538.db2.gz MXIDXDRNIYTBRK-MGPQQGTHSA-N 2 2 250.430 3.028 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157626281 542135164 /nfs/dbraw/zinc/13/51/64/542135164.db2.gz GKAGURAIIMNGCE-RBUKOAKNSA-N 2 2 284.447 3.082 20 0 CGADLP c1ccc(C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000157626281 542135168 /nfs/dbraw/zinc/13/51/68/542135168.db2.gz GKAGURAIIMNGCE-RBUKOAKNSA-N 2 2 284.447 3.082 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157755043 542138888 /nfs/dbraw/zinc/13/88/88/542138888.db2.gz WBHYFEFNOBFLCK-DZGCQCFKSA-N 2 2 276.449 3.199 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157755043 542138891 /nfs/dbraw/zinc/13/88/91/542138891.db2.gz WBHYFEFNOBFLCK-DZGCQCFKSA-N 2 2 276.449 3.199 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC000245563631 376855842 /nfs/dbraw/zinc/85/58/42/376855842.db2.gz PVCGDFWYZORSDW-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cncs2)C1 ZINC000245563631 376855845 /nfs/dbraw/zinc/85/58/45/376855845.db2.gz PVCGDFWYZORSDW-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000245563631 376855849 /nfs/dbraw/zinc/85/58/49/376855849.db2.gz PVCGDFWYZORSDW-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000245563631 376855851 /nfs/dbraw/zinc/85/58/51/376855851.db2.gz PVCGDFWYZORSDW-CABCVRRESA-N 2 2 293.480 3.230 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000245984482 376949218 /nfs/dbraw/zinc/94/92/18/376949218.db2.gz PWQNCSUCPYUUNF-HRSGCLKMSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000245984482 376949223 /nfs/dbraw/zinc/94/92/23/376949223.db2.gz PWQNCSUCPYUUNF-HRSGCLKMSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000245984482 376949228 /nfs/dbraw/zinc/94/92/28/376949228.db2.gz PWQNCSUCPYUUNF-HRSGCLKMSA-N 2 2 270.420 3.116 20 0 CGADLP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000245984482 376949232 /nfs/dbraw/zinc/94/92/32/376949232.db2.gz PWQNCSUCPYUUNF-HRSGCLKMSA-N 2 2 270.420 3.116 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246474189 377036980 /nfs/dbraw/zinc/03/69/80/377036980.db2.gz QSKJQFQWKLODBT-SWLSCSKDSA-N 2 2 296.842 3.311 20 0 CGADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246474189 377036991 /nfs/dbraw/zinc/03/69/91/377036991.db2.gz QSKJQFQWKLODBT-SWLSCSKDSA-N 2 2 296.842 3.311 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000340301655 376990398 /nfs/dbraw/zinc/99/03/98/376990398.db2.gz NQKNYLQPOGODOM-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000246948510 377124154 /nfs/dbraw/zinc/12/41/54/377124154.db2.gz ICZNCEVWLGVXFS-YOEHRIQHSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000246948510 377124162 /nfs/dbraw/zinc/12/41/62/377124162.db2.gz ICZNCEVWLGVXFS-YOEHRIQHSA-N 2 2 299.418 3.162 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1F ZINC000340472083 377082746 /nfs/dbraw/zinc/08/27/46/377082746.db2.gz AMUNYFJYVFHTAK-CYBMUJFWSA-N 2 2 288.370 3.159 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000559892723 377103169 /nfs/dbraw/zinc/10/31/69/377103169.db2.gz YZSQMKDSZNHHFY-ARFHVFGLSA-N 2 2 294.389 3.142 20 0 CGADLP CC(F)(F)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559892723 377103178 /nfs/dbraw/zinc/10/31/78/377103178.db2.gz YZSQMKDSZNHHFY-ARFHVFGLSA-N 2 2 294.389 3.142 20 0 CGADLP CCC1CC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000560245289 377132552 /nfs/dbraw/zinc/13/25/52/377132552.db2.gz IWCNVPAPKPDTBI-UHFFFAOYSA-N 2 2 294.483 3.047 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000247111746 377162468 /nfs/dbraw/zinc/16/24/68/377162468.db2.gz TUKYRGGJRQXIQW-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247111746 377162474 /nfs/dbraw/zinc/16/24/74/377162474.db2.gz TUKYRGGJRQXIQW-KFWWJZLASA-N 2 2 250.430 3.028 20 0 CGADLP CCCCCOc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000340678194 377210792 /nfs/dbraw/zinc/21/07/92/377210792.db2.gz HSRMYARUEIRZKM-YOEHRIQHSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000340678194 377210799 /nfs/dbraw/zinc/21/07/99/377210799.db2.gz HSRMYARUEIRZKM-YOEHRIQHSA-N 2 2 276.424 3.035 20 0 CGADLP COc1cccc(C[C@@H]([NH2+]CC[NH+](C)C)c2ccccc2)c1 ZINC000561199365 377213010 /nfs/dbraw/zinc/21/30/10/377213010.db2.gz MYVQPOUETOOWNL-LJQANCHMSA-N 2 2 298.430 3.130 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000563426518 377463343 /nfs/dbraw/zinc/46/33/43/377463343.db2.gz MLSITBCRNUUOTB-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000563426518 377463348 /nfs/dbraw/zinc/46/33/48/377463348.db2.gz MLSITBCRNUUOTB-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP CC(C)c1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289235 377490596 /nfs/dbraw/zinc/49/05/96/377490596.db2.gz RXAKCUUPSMTYKM-KBPBESRZSA-N 2 2 290.455 3.040 20 0 CGADLP CC(C)c1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000341289235 377490603 /nfs/dbraw/zinc/49/06/03/377490603.db2.gz RXAKCUUPSMTYKM-KBPBESRZSA-N 2 2 290.455 3.040 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c[nH+]1 ZINC000249335782 377491620 /nfs/dbraw/zinc/49/16/20/377491620.db2.gz ZBJNXTBVPMNGKF-IIAWOOMASA-N 2 2 290.455 3.068 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c[nH+]1 ZINC000249335782 377491631 /nfs/dbraw/zinc/49/16/31/377491631.db2.gz ZBJNXTBVPMNGKF-IIAWOOMASA-N 2 2 290.455 3.068 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087758730 249024599 /nfs/dbraw/zinc/02/45/99/249024599.db2.gz FKPLSZCPNDJVTP-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087758730 249024602 /nfs/dbraw/zinc/02/46/02/249024602.db2.gz FKPLSZCPNDJVTP-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP Cc1cccn2c(C[NH2+]C3(C)Cc4ccccc4C3)c[nH+]c12 ZINC000092853749 249035950 /nfs/dbraw/zinc/03/59/50/249035950.db2.gz ZNDWXFLHMNKBCM-UHFFFAOYSA-N 2 2 291.398 3.290 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cc(C)ccc2C)CC1 ZINC000163655999 542167628 /nfs/dbraw/zinc/16/76/28/542167628.db2.gz UEHUDXMOGDKTCD-INIZCTEOSA-N 2 2 290.451 3.065 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000249768279 377531079 /nfs/dbraw/zinc/53/10/79/377531079.db2.gz BGOIHCAQOBSQTI-NHYWBVRUSA-N 2 2 284.806 3.299 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000249768279 377531088 /nfs/dbraw/zinc/53/10/88/377531088.db2.gz BGOIHCAQOBSQTI-NHYWBVRUSA-N 2 2 284.806 3.299 20 0 CGADLP COCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C)o1 ZINC000341478984 377583629 /nfs/dbraw/zinc/58/36/29/377583629.db2.gz HQNZMUSZPFBELF-MRXNPFEDSA-N 2 2 294.439 3.128 20 0 CGADLP CC[N@H+](CCCC1CC[NH+](CC(F)F)CC1)CC(F)F ZINC000179599517 542201935 /nfs/dbraw/zinc/20/19/35/542201935.db2.gz IPYILDMTRXNEBR-UHFFFAOYSA-N 2 2 298.368 3.331 20 0 CGADLP CC[N@@H+](CCCC1CC[NH+](CC(F)F)CC1)CC(F)F ZINC000179599517 542201938 /nfs/dbraw/zinc/20/19/38/542201938.db2.gz IPYILDMTRXNEBR-UHFFFAOYSA-N 2 2 298.368 3.331 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573967195 377600474 /nfs/dbraw/zinc/60/04/74/377600474.db2.gz SZFTYXRDHIDQAI-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573967195 377600484 /nfs/dbraw/zinc/60/04/84/377600484.db2.gz SZFTYXRDHIDQAI-HNNXBMFYSA-N 2 2 282.790 3.055 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000574441889 377663672 /nfs/dbraw/zinc/66/36/72/377663672.db2.gz FDAGGJMWNGNPNG-BFHYXJOUSA-N 2 2 263.429 3.317 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000574441889 377663677 /nfs/dbraw/zinc/66/36/77/377663677.db2.gz FDAGGJMWNGNPNG-BFHYXJOUSA-N 2 2 263.429 3.317 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000252961393 377671405 /nfs/dbraw/zinc/67/14/05/377671405.db2.gz OCULIQHSPQBYSD-KCXAZCMYSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000574639141 377689180 /nfs/dbraw/zinc/68/91/80/377689180.db2.gz WTGFOBUGZIMTIS-SFHVURJKSA-N 2 2 281.403 3.207 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000574639141 377689188 /nfs/dbraw/zinc/68/91/88/377689188.db2.gz WTGFOBUGZIMTIS-SFHVURJKSA-N 2 2 281.403 3.207 20 0 CGADLP CCC1CC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000342620552 377693305 /nfs/dbraw/zinc/69/33/05/377693305.db2.gz YXDMVMFMVUFTIS-UHFFFAOYSA-N 2 2 269.392 3.210 20 0 CGADLP CCC1CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000342627992 377695994 /nfs/dbraw/zinc/69/59/94/377695994.db2.gz PKRFNSXAPOFJIJ-UHFFFAOYSA-N 2 2 283.419 3.252 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000342706615 377746428 /nfs/dbraw/zinc/74/64/28/377746428.db2.gz IVWICYSNNQJNSH-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000342706615 377746438 /nfs/dbraw/zinc/74/64/38/377746438.db2.gz IVWICYSNNQJNSH-IAGOWNOFSA-N 2 2 272.436 3.429 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000342706672 377747543 /nfs/dbraw/zinc/74/75/43/377747543.db2.gz IYPMTVJAMZEUOF-OLMNPRSZSA-N 2 2 290.451 3.117 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000342706672 377747552 /nfs/dbraw/zinc/74/75/52/377747552.db2.gz IYPMTVJAMZEUOF-OLMNPRSZSA-N 2 2 290.451 3.117 20 0 CGADLP CCC1CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000342715679 377751752 /nfs/dbraw/zinc/75/17/52/377751752.db2.gz WXMSDCNOVYECDV-UHFFFAOYSA-N 2 2 257.381 3.274 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccccc1 ZINC000255501637 377761612 /nfs/dbraw/zinc/76/16/12/377761612.db2.gz PQISBAGKOYSNPL-UVFSVYEVSA-N 2 2 270.420 3.258 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccccc1 ZINC000255501637 377761618 /nfs/dbraw/zinc/76/16/18/377761618.db2.gz PQISBAGKOYSNPL-UVFSVYEVSA-N 2 2 270.420 3.258 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\c1ccccc1 ZINC000255501637 377761622 /nfs/dbraw/zinc/76/16/22/377761622.db2.gz PQISBAGKOYSNPL-UVFSVYEVSA-N 2 2 270.420 3.258 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\c1ccccc1 ZINC000255501637 377761625 /nfs/dbraw/zinc/76/16/25/377761625.db2.gz PQISBAGKOYSNPL-UVFSVYEVSA-N 2 2 270.420 3.258 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261559305 377818899 /nfs/dbraw/zinc/81/88/99/377818899.db2.gz TVNCDYRRAWQDCM-RISCZKNCSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261559305 377818904 /nfs/dbraw/zinc/81/89/04/377818904.db2.gz TVNCDYRRAWQDCM-RISCZKNCSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@@H]1[NH3+] ZINC000261985343 377876179 /nfs/dbraw/zinc/87/61/79/377876179.db2.gz JSEORVGQAIPCMP-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C[C@@H]1[NH3+] ZINC000261985343 377876186 /nfs/dbraw/zinc/87/61/86/377876186.db2.gz JSEORVGQAIPCMP-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090804115 295249044 /nfs/dbraw/zinc/24/90/44/295249044.db2.gz KJCNSKAZLLZMCN-ONGXEEELSA-N 2 2 273.302 3.030 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262049707 377882919 /nfs/dbraw/zinc/88/29/19/377882919.db2.gz QDESWIWDBSVERU-WBMJQRKESA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262049707 377882928 /nfs/dbraw/zinc/88/29/28/377882928.db2.gz QDESWIWDBSVERU-WBMJQRKESA-N 2 2 289.448 3.289 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107578 377885762 /nfs/dbraw/zinc/88/57/62/377885762.db2.gz WDBWVKHIBBFNDD-KBXCAEBGSA-N 2 2 288.435 3.177 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000262107578 377885767 /nfs/dbraw/zinc/88/57/67/377885767.db2.gz WDBWVKHIBBFNDD-KBXCAEBGSA-N 2 2 288.435 3.177 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(OC(F)F)cc1C ZINC000261709625 377842681 /nfs/dbraw/zinc/84/26/81/377842681.db2.gz IOOKEJPGLLNRPH-MRXNPFEDSA-N 2 2 298.377 3.076 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(OC(F)F)cc1C ZINC000261709625 377842685 /nfs/dbraw/zinc/84/26/85/377842685.db2.gz IOOKEJPGLLNRPH-MRXNPFEDSA-N 2 2 298.377 3.076 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000342863950 377846982 /nfs/dbraw/zinc/84/69/82/377846982.db2.gz KZAQJVGEYPCOQA-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1C)c1cccc(C)c1 ZINC000342863950 377846986 /nfs/dbraw/zinc/84/69/86/377846986.db2.gz KZAQJVGEYPCOQA-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC(C)[C@@H](C[NH2+]Cc1cc[nH]c1)[N@@H+]1CCc2ccccc2C1 ZINC000343091255 377900039 /nfs/dbraw/zinc/90/00/39/377900039.db2.gz LJECTKVDNQBFMD-LJQANCHMSA-N 2 2 297.446 3.187 20 0 CGADLP CC(C)[C@@H](C[NH2+]Cc1cc[nH]c1)[N@H+]1CCc2ccccc2C1 ZINC000343091255 377900044 /nfs/dbraw/zinc/90/00/44/377900044.db2.gz LJECTKVDNQBFMD-LJQANCHMSA-N 2 2 297.446 3.187 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262542379 377900212 /nfs/dbraw/zinc/90/02/12/377900212.db2.gz RGUSOMVCTJWTPO-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262542379 377900220 /nfs/dbraw/zinc/90/02/20/377900220.db2.gz RGUSOMVCTJWTPO-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)n1C ZINC000578144550 378042210 /nfs/dbraw/zinc/04/22/10/378042210.db2.gz WSXLDVUHCIEWCF-INIZCTEOSA-N 2 2 275.371 3.355 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000268816757 378120787 /nfs/dbraw/zinc/12/07/87/378120787.db2.gz MKPIYCXTOREQKX-IAQYHMDHSA-N 2 2 279.334 3.291 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006604 378122487 /nfs/dbraw/zinc/12/24/87/378122487.db2.gz LPTIUQAKVLPDLU-DEQVHRJGSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000579006604 378122492 /nfs/dbraw/zinc/12/24/92/378122492.db2.gz LPTIUQAKVLPDLU-DEQVHRJGSA-N 2 2 290.373 3.180 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000343924786 378135865 /nfs/dbraw/zinc/13/58/65/378135865.db2.gz HSOFCWOCCOGHRF-AWEZNQCLSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000343924786 378135870 /nfs/dbraw/zinc/13/58/70/378135870.db2.gz HSOFCWOCCOGHRF-AWEZNQCLSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000268909144 378149799 /nfs/dbraw/zinc/14/97/99/378149799.db2.gz SSZSGRYLGWXRTM-WBVHZDCISA-N 2 2 299.418 3.126 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000268909144 378149804 /nfs/dbraw/zinc/14/98/04/378149804.db2.gz SSZSGRYLGWXRTM-WBVHZDCISA-N 2 2 299.418 3.126 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268756665 378103234 /nfs/dbraw/zinc/10/32/34/378103234.db2.gz LUDDDHZPMAPNNO-GFCCVEGCSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1sccc1Br ZINC000579822366 378199219 /nfs/dbraw/zinc/19/92/19/378199219.db2.gz BLHDMBKGYZVEDG-WPRPVWTQSA-N 2 2 291.258 3.145 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579972679 378214063 /nfs/dbraw/zinc/21/40/63/378214063.db2.gz FYQOMELGIKXMHY-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579972679 378214070 /nfs/dbraw/zinc/21/40/70/378214070.db2.gz FYQOMELGIKXMHY-VEAWUBTESA-N 2 2 262.372 3.090 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000269006854 378172233 /nfs/dbraw/zinc/17/22/33/378172233.db2.gz LGPVODYGLMRBSI-OHUAYANFSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)cc(F)c1 ZINC000269006854 378172237 /nfs/dbraw/zinc/17/22/37/378172237.db2.gz LGPVODYGLMRBSI-OHUAYANFSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032491 378177041 /nfs/dbraw/zinc/17/70/41/378177041.db2.gz UQKAXVFPAQOOKK-HFBDOXOYSA-N 2 2 298.352 3.237 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032491 378177045 /nfs/dbraw/zinc/17/70/45/378177045.db2.gz UQKAXVFPAQOOKK-HFBDOXOYSA-N 2 2 298.352 3.237 20 0 CGADLP Cc1[nH+]cc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1C ZINC000582073680 378284110 /nfs/dbraw/zinc/28/41/10/378284110.db2.gz MMSBTSPIZKLYAS-UHFFFAOYSA-N 2 2 295.390 3.105 20 0 CGADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269696595 378255503 /nfs/dbraw/zinc/25/55/03/378255503.db2.gz XKDUOYLXFXBYPK-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000269696595 378255507 /nfs/dbraw/zinc/25/55/07/378255507.db2.gz XKDUOYLXFXBYPK-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269696595 378255512 /nfs/dbraw/zinc/25/55/12/378255512.db2.gz XKDUOYLXFXBYPK-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269696595 378255517 /nfs/dbraw/zinc/25/55/17/378255517.db2.gz XKDUOYLXFXBYPK-UWWQBHOKSA-N 2 2 285.435 3.091 20 0 CGADLP CC[C@H](O)C[NH2+]C[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000583317257 378321168 /nfs/dbraw/zinc/32/11/68/378321168.db2.gz BEERGNCVDZNIBU-NXHRZFHOSA-N 2 2 292.467 3.112 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000583455886 378325146 /nfs/dbraw/zinc/32/51/46/378325146.db2.gz AXCHSRYILUCWTQ-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000583455886 378325149 /nfs/dbraw/zinc/32/51/49/378325149.db2.gz AXCHSRYILUCWTQ-YSSFQJQWSA-N 2 2 298.474 3.388 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000583525730 378327834 /nfs/dbraw/zinc/32/78/34/378327834.db2.gz ZWVPHDRIVSWQKU-RBSFLKMASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000583525730 378327842 /nfs/dbraw/zinc/32/78/42/378327842.db2.gz ZWVPHDRIVSWQKU-RBSFLKMASA-N 2 2 252.446 3.418 20 0 CGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(CO)c1 ZINC000270528365 378364414 /nfs/dbraw/zinc/36/44/14/378364414.db2.gz UCKSMBCDNDUXKP-OAHLLOKOSA-N 2 2 299.418 3.117 20 0 CGADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000270858802 378407464 /nfs/dbraw/zinc/40/74/64/378407464.db2.gz JOVDDSPDKFRQRS-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000270858802 378407467 /nfs/dbraw/zinc/40/74/67/378407467.db2.gz JOVDDSPDKFRQRS-BBRMVZONSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1cccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346164274 378486508 /nfs/dbraw/zinc/48/65/08/378486508.db2.gz HWXHQVQHSQBYBR-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1cccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346164274 378486513 /nfs/dbraw/zinc/48/65/13/378486513.db2.gz HWXHQVQHSQBYBR-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC000346316501 378541091 /nfs/dbraw/zinc/54/10/91/378541091.db2.gz AHGNPKOOSZEAQB-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC000346316501 378541101 /nfs/dbraw/zinc/54/11/01/378541101.db2.gz AHGNPKOOSZEAQB-CYBMUJFWSA-N 2 2 257.381 3.202 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346331746 378547305 /nfs/dbraw/zinc/54/73/05/378547305.db2.gz OHMNGBBYDQKMKW-SQWLQELKSA-N 2 2 292.492 3.412 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346331746 378547311 /nfs/dbraw/zinc/54/73/11/378547311.db2.gz OHMNGBBYDQKMKW-SQWLQELKSA-N 2 2 292.492 3.412 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000346496997 378596279 /nfs/dbraw/zinc/59/62/79/378596279.db2.gz WWBCONQULUSUBY-BHYGNILZSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2F)CC1 ZINC000637887731 378616472 /nfs/dbraw/zinc/61/64/72/378616472.db2.gz YTCLKKIJGKHMDN-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2F)CC1 ZINC000637887731 378616476 /nfs/dbraw/zinc/61/64/76/378616476.db2.gz YTCLKKIJGKHMDN-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000346819166 378693129 /nfs/dbraw/zinc/69/31/29/378693129.db2.gz HISWSGFFJPCRON-ZDUSSCGKSA-N 2 2 297.240 3.323 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000346819166 378693133 /nfs/dbraw/zinc/69/31/33/378693133.db2.gz HISWSGFFJPCRON-ZDUSSCGKSA-N 2 2 297.240 3.323 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000637950398 378642365 /nfs/dbraw/zinc/64/23/65/378642365.db2.gz DHHWEPIBCSXSTR-ZDUSSCGKSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000637950398 378642369 /nfs/dbraw/zinc/64/23/69/378642369.db2.gz DHHWEPIBCSXSTR-ZDUSSCGKSA-N 2 2 275.421 3.468 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346609963 378645256 /nfs/dbraw/zinc/64/52/56/378645256.db2.gz KSTCSSCDUGDSMZ-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)c(C[NH+](C)C)c1 ZINC000638258348 378747501 /nfs/dbraw/zinc/74/75/01/378747501.db2.gz FSQBWHVGJAGQJZ-KRWDZBQOSA-N 2 2 298.434 3.353 20 0 CGADLP C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348036052 378762031 /nfs/dbraw/zinc/76/20/31/378762031.db2.gz PSPJIBQCXLXUPZ-LLVKDONJSA-N 2 2 299.296 3.059 20 0 CGADLP Cc1ccsc1[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348074412 378779667 /nfs/dbraw/zinc/77/96/67/378779667.db2.gz LCJZEASDCWPRBK-OAHLLOKOSA-N 2 2 290.432 3.016 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC(F)(F)C1 ZINC000348094818 378789072 /nfs/dbraw/zinc/78/90/72/378789072.db2.gz ZOQZNKLIWZJRJZ-AWEZNQCLSA-N 2 2 268.351 3.490 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCCC3CCCC3)CC2)CCO1 ZINC000348369766 378930939 /nfs/dbraw/zinc/93/09/39/378930939.db2.gz VTAJOFUWAADEBU-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)CCO1 ZINC000348369766 378930944 /nfs/dbraw/zinc/93/09/44/378930944.db2.gz VTAJOFUWAADEBU-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274885504 378913301 /nfs/dbraw/zinc/91/33/01/378913301.db2.gz HSDSPOBABJETGJ-DOTOQJQBSA-N 2 2 283.419 3.468 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274885504 378913307 /nfs/dbraw/zinc/91/33/07/378913307.db2.gz HSDSPOBABJETGJ-DOTOQJQBSA-N 2 2 283.419 3.468 20 0 CGADLP CO[C@@H](C[NH2+]CCc1cc[nH+]cc1C)C1CCCCC1 ZINC000638792984 378914014 /nfs/dbraw/zinc/91/40/14/378914014.db2.gz QPURXNKSXNLOKX-KRWDZBQOSA-N 2 2 276.424 3.117 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000347000952 218087704 /nfs/dbraw/zinc/08/77/04/218087704.db2.gz UXZHJKMNJFMBGT-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347034039 218098897 /nfs/dbraw/zinc/09/88/97/218098897.db2.gz FLHOGMBFJFWBKW-SFHVURJKSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347034039 218098898 /nfs/dbraw/zinc/09/88/98/218098898.db2.gz FLHOGMBFJFWBKW-SFHVURJKSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000347031874 218099054 /nfs/dbraw/zinc/09/90/54/218099054.db2.gz AUTYWIAIFKAXNR-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000347031874 218099055 /nfs/dbraw/zinc/09/90/55/218099055.db2.gz AUTYWIAIFKAXNR-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000347016724 218092903 /nfs/dbraw/zinc/09/29/03/218092903.db2.gz JZFSKGBNWSSWGE-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000347016724 218092904 /nfs/dbraw/zinc/09/29/04/218092904.db2.gz JZFSKGBNWSSWGE-CQSZACIVSA-N 2 2 287.432 3.042 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000347093049 218119355 /nfs/dbraw/zinc/11/93/55/218119355.db2.gz GPEUCUQTKQBPMA-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(-c2ccccc2)cs1 ZINC000347093049 218119357 /nfs/dbraw/zinc/11/93/57/218119357.db2.gz GPEUCUQTKQBPMA-LBPRGKRZSA-N 2 2 260.406 3.194 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348536523 378981914 /nfs/dbraw/zinc/98/19/14/378981914.db2.gz SGNQNSRGWUIYJO-RVKKMQEKSA-N 2 2 288.435 3.015 20 0 CGADLP c1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)cc[nH+]1 ZINC000347112443 218126486 /nfs/dbraw/zinc/12/64/86/218126486.db2.gz ZQMBUIVDGNJPJY-IBGZPJMESA-N 2 2 294.398 3.224 20 0 CGADLP c1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)cc[nH+]1 ZINC000347112443 218126489 /nfs/dbraw/zinc/12/64/89/218126489.db2.gz ZQMBUIVDGNJPJY-IBGZPJMESA-N 2 2 294.398 3.224 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370261566 378999403 /nfs/dbraw/zinc/99/94/03/378999403.db2.gz NCGJTNVAPXCSTQ-JSGCOSHPSA-N 2 2 261.413 3.134 20 0 CGADLP COC1(C[C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCC1 ZINC000277022872 379047338 /nfs/dbraw/zinc/04/73/38/379047338.db2.gz DMGJYMUPIATACQ-OAHLLOKOSA-N 2 2 291.439 3.211 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000277037894 379048942 /nfs/dbraw/zinc/04/89/42/379048942.db2.gz BNXZTHWTLNQNFW-OAHLLOKOSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000277037894 379048950 /nfs/dbraw/zinc/04/89/50/379048950.db2.gz BNXZTHWTLNQNFW-OAHLLOKOSA-N 2 2 266.816 3.256 20 0 CGADLP CC1(C)CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348848017 379083672 /nfs/dbraw/zinc/08/36/72/379083672.db2.gz LWJDADQYYYSVMN-CQSZACIVSA-N 2 2 270.380 3.317 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000278752132 194138137 /nfs/dbraw/zinc/13/81/37/194138137.db2.gz MUPABJLQSSWINH-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000278752132 194138140 /nfs/dbraw/zinc/13/81/40/194138140.db2.gz MUPABJLQSSWINH-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000277410969 379153042 /nfs/dbraw/zinc/15/30/42/379153042.db2.gz IKKRHMBQNHQNQM-HNNXBMFYSA-N 2 2 284.806 3.395 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000277410969 379153048 /nfs/dbraw/zinc/15/30/48/379153048.db2.gz IKKRHMBQNHQNQM-HNNXBMFYSA-N 2 2 284.806 3.395 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349196942 379186423 /nfs/dbraw/zinc/18/64/23/379186423.db2.gz VGYYLJUQVYCXCO-RBSFLKMASA-N 2 2 261.413 3.036 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349196942 379186428 /nfs/dbraw/zinc/18/64/28/379186428.db2.gz VGYYLJUQVYCXCO-RBSFLKMASA-N 2 2 261.413 3.036 20 0 CGADLP c1cc2[nH+]ccc(NC[C@@H]3CCCC[N@@H+]3C3CC3)c2cn1 ZINC000277490034 379173750 /nfs/dbraw/zinc/17/37/50/379173750.db2.gz RTOCTMMHDMPALB-AWEZNQCLSA-N 2 2 282.391 3.059 20 0 CGADLP c1cc2[nH+]ccc(NC[C@@H]3CCCC[N@H+]3C3CC3)c2cn1 ZINC000277490034 379173760 /nfs/dbraw/zinc/17/37/60/379173760.db2.gz RTOCTMMHDMPALB-AWEZNQCLSA-N 2 2 282.391 3.059 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000349310522 379224580 /nfs/dbraw/zinc/22/45/80/379224580.db2.gz HJBUIZTXZIHXNX-MVJTYMMSSA-N 2 2 290.451 3.083 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)ccc1F ZINC000349362532 379249738 /nfs/dbraw/zinc/24/97/38/379249738.db2.gz DIUWQUJELXPUNL-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)ccc1F ZINC000349362532 379249744 /nfs/dbraw/zinc/24/97/44/379249744.db2.gz DIUWQUJELXPUNL-UHFFFAOYSA-N 2 2 270.367 3.129 20 0 CGADLP CCc1ncc(C[N@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000349379215 379257506 /nfs/dbraw/zinc/25/75/06/379257506.db2.gz BMCFQGSYMSPOSD-UHFFFAOYSA-N 2 2 281.469 3.013 20 0 CGADLP CCc1ncc(C[N@@H+](CC)CCC[NH+]2CCCC2)s1 ZINC000349379215 379257511 /nfs/dbraw/zinc/25/75/11/379257511.db2.gz BMCFQGSYMSPOSD-UHFFFAOYSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349415260 379274333 /nfs/dbraw/zinc/27/43/33/379274333.db2.gz IOVSCULRORXBLS-KRWDZBQOSA-N 2 2 285.435 3.474 20 0 CGADLP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349415260 379274343 /nfs/dbraw/zinc/27/43/43/379274343.db2.gz IOVSCULRORXBLS-KRWDZBQOSA-N 2 2 285.435 3.474 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(cccc2F)[nH]1 ZINC000349417919 379276082 /nfs/dbraw/zinc/27/60/82/379276082.db2.gz NBUGBNFDNYQDHE-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(cccc2F)[nH]1 ZINC000349417919 379276094 /nfs/dbraw/zinc/27/60/94/379276094.db2.gz NBUGBNFDNYQDHE-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cc2c1C ZINC000349610641 379317936 /nfs/dbraw/zinc/31/79/36/379317936.db2.gz LBFLHYYXSHSSLI-CQSZACIVSA-N 2 2 283.419 3.111 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cc2c1C ZINC000349610641 379317945 /nfs/dbraw/zinc/31/79/45/379317945.db2.gz LBFLHYYXSHSSLI-CQSZACIVSA-N 2 2 283.419 3.111 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000278218910 379319993 /nfs/dbraw/zinc/31/99/93/379319993.db2.gz LDACEVJXEHRXNK-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000278218910 379319995 /nfs/dbraw/zinc/31/99/95/379319995.db2.gz LDACEVJXEHRXNK-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP Cc1ccoc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374572 379328427 /nfs/dbraw/zinc/32/84/27/379328427.db2.gz HBZAVLPUPMMGQH-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1ccc(CCC[NH+]2CCC(CCF)CC2)c[nH+]1 ZINC000639376505 379335521 /nfs/dbraw/zinc/33/55/21/379335521.db2.gz MOKNNELIRKKLAD-UHFFFAOYSA-N 2 2 264.388 3.394 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000278285626 379336561 /nfs/dbraw/zinc/33/65/61/379336561.db2.gz AXTDQNXZRXMPMX-UONOGXRCSA-N 2 2 287.432 3.276 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000278285628 379337808 /nfs/dbraw/zinc/33/78/08/379337808.db2.gz AXTDQNXZRXMPMX-ZIAGYGMSSA-N 2 2 287.432 3.276 20 0 CGADLP COc1cccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000192685583 542267909 /nfs/dbraw/zinc/26/79/09/542267909.db2.gz BZBVMASHGTYCBG-OAHLLOKOSA-N 2 2 296.430 3.290 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2c1C ZINC000349570603 379309174 /nfs/dbraw/zinc/30/91/74/379309174.db2.gz SOTPNPQQPZXTSK-ZDUSSCGKSA-N 2 2 296.418 3.407 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)n1C ZINC000639392522 379357171 /nfs/dbraw/zinc/35/71/71/379357171.db2.gz YHCMKQDMEYTDGQ-OAHLLOKOSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)n1C ZINC000639392522 379357175 /nfs/dbraw/zinc/35/71/75/379357175.db2.gz YHCMKQDMEYTDGQ-OAHLLOKOSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000639390581 379358178 /nfs/dbraw/zinc/35/81/78/379358178.db2.gz GFPXFVRINBJLRP-VNQPRFMTSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)[C@H]3CC3(F)F)C2)cc1 ZINC000639390581 379358189 /nfs/dbraw/zinc/35/81/89/379358189.db2.gz GFPXFVRINBJLRP-VNQPRFMTSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)n1C ZINC000639392521 379358743 /nfs/dbraw/zinc/35/87/43/379358743.db2.gz YHCMKQDMEYTDGQ-HNNXBMFYSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)n1C ZINC000639392521 379358753 /nfs/dbraw/zinc/35/87/53/379358753.db2.gz YHCMKQDMEYTDGQ-HNNXBMFYSA-N 2 2 261.413 3.131 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)Cc2cccc(O)c2)c(C)[nH+]1 ZINC000639510240 379442342 /nfs/dbraw/zinc/44/23/42/379442342.db2.gz ZHDQRDSKMQTKAL-UHFFFAOYSA-N 2 2 270.376 3.344 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)Cc2cccc(O)c2)c(C)[nH+]1 ZINC000639510240 379442347 /nfs/dbraw/zinc/44/23/47/379442347.db2.gz ZHDQRDSKMQTKAL-UHFFFAOYSA-N 2 2 270.376 3.344 20 0 CGADLP CCSCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320051 379419669 /nfs/dbraw/zinc/41/96/69/379419669.db2.gz FDTYPQJVZZSHTF-CQSZACIVSA-N 2 2 293.480 3.152 20 0 CGADLP CCSCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320051 379419677 /nfs/dbraw/zinc/41/96/77/379419677.db2.gz FDTYPQJVZZSHTF-CQSZACIVSA-N 2 2 293.480 3.152 20 0 CGADLP CCCc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000266736566 190277705 /nfs/dbraw/zinc/27/77/05/190277705.db2.gz KUJMTTZNZZVXTK-UHFFFAOYSA-N 2 2 290.436 3.198 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1c(C)cc(C)[nH+]c1C ZINC000639564260 379474774 /nfs/dbraw/zinc/47/47/74/379474774.db2.gz BJXAXPAKOFKNPV-GFCCVEGCSA-N 2 2 273.380 3.463 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266710034 190276771 /nfs/dbraw/zinc/27/67/71/190276771.db2.gz FGJREWZBROHYOY-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP CSc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376728422 379595831 /nfs/dbraw/zinc/59/58/31/379595831.db2.gz KFLFMIWNTHUZBG-UHFFFAOYSA-N 2 2 287.432 3.231 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000347686469 218320719 /nfs/dbraw/zinc/32/07/19/218320719.db2.gz RXHFAGUTKVLHFA-UHFFFAOYSA-N 2 2 287.451 3.094 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377410924 379676369 /nfs/dbraw/zinc/67/63/69/379676369.db2.gz KNUBFXDJXNZGIW-UKRRQHHQSA-N 2 2 299.418 3.407 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377410924 379676380 /nfs/dbraw/zinc/67/63/80/379676380.db2.gz KNUBFXDJXNZGIW-UKRRQHHQSA-N 2 2 299.418 3.407 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377780182 379739415 /nfs/dbraw/zinc/73/94/15/379739415.db2.gz NIAXEOZPEQOIGI-NSHDSACASA-N 2 2 295.308 3.076 20 0 CGADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377780182 379739422 /nfs/dbraw/zinc/73/94/22/379739422.db2.gz NIAXEOZPEQOIGI-NSHDSACASA-N 2 2 295.308 3.076 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)ccc1C)CCC2 ZINC000377837492 379747660 /nfs/dbraw/zinc/74/76/60/379747660.db2.gz NIHXBGJISPVJQT-MRXNPFEDSA-N 2 2 283.419 3.476 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)[nH]1 ZINC000267466655 190332245 /nfs/dbraw/zinc/33/22/45/190332245.db2.gz WMYBNOOPOWYYGT-KRWDZBQOSA-N 2 2 281.403 3.278 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)[nH]1 ZINC000267466655 190332246 /nfs/dbraw/zinc/33/22/46/190332246.db2.gz WMYBNOOPOWYYGT-KRWDZBQOSA-N 2 2 281.403 3.278 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000352343979 379772053 /nfs/dbraw/zinc/77/20/53/379772053.db2.gz BUDJVDWOCQJRPQ-IKGGRYGDSA-N 2 2 281.403 3.393 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)[nH]1 ZINC000352343979 379772059 /nfs/dbraw/zinc/77/20/59/379772059.db2.gz BUDJVDWOCQJRPQ-IKGGRYGDSA-N 2 2 281.403 3.393 20 0 CGADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267441051 190330903 /nfs/dbraw/zinc/33/09/03/190330903.db2.gz PDVIDDHCDAECRL-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267441051 190330904 /nfs/dbraw/zinc/33/09/04/190330904.db2.gz PDVIDDHCDAECRL-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP CC(C)C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347783714 218355818 /nfs/dbraw/zinc/35/58/18/218355818.db2.gz NTHHAUIRQZCGNS-CYBMUJFWSA-N 2 2 281.469 3.073 20 0 CGADLP CC(C)C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347783714 218355820 /nfs/dbraw/zinc/35/58/20/218355820.db2.gz NTHHAUIRQZCGNS-CYBMUJFWSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccoc2)CC[N@@H+]1Cc1ccccc1 ZINC000267530559 190336120 /nfs/dbraw/zinc/33/61/20/190336120.db2.gz RVUOMBKWQHZICH-MAUKXSAKSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccoc2)CC[N@H+]1Cc1ccccc1 ZINC000267530559 190336121 /nfs/dbraw/zinc/33/61/21/190336121.db2.gz RVUOMBKWQHZICH-MAUKXSAKSA-N 2 2 284.403 3.422 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000352557103 379858028 /nfs/dbraw/zinc/85/80/28/379858028.db2.gz JNJAPLWLCRELNA-INIZCTEOSA-N 2 2 291.414 3.136 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000393646546 379915094 /nfs/dbraw/zinc/91/50/94/379915094.db2.gz QHPXBNLSLXRVIL-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000393646546 379915101 /nfs/dbraw/zinc/91/51/01/379915101.db2.gz QHPXBNLSLXRVIL-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000282364947 379905975 /nfs/dbraw/zinc/90/59/75/379905975.db2.gz WHGXQEZGGFVKOH-MNEFBYGVSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)C[NH+]1CCOCC1 ZINC000352807857 379971871 /nfs/dbraw/zinc/97/18/71/379971871.db2.gz ASZHSKKLGYSOSH-MRXNPFEDSA-N 2 2 294.483 3.047 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(Cl)c1 ZINC000399031602 379932428 /nfs/dbraw/zinc/93/24/28/379932428.db2.gz LXFNCNMTVABDEB-SUNKGSAMSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000399021368 379933194 /nfs/dbraw/zinc/93/31/94/379933194.db2.gz HJNVRMQRDCIGNY-SUNKGSAMSA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@@H]1CCCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347850234 218375827 /nfs/dbraw/zinc/37/58/27/218375827.db2.gz FZNOOGUUKVCWBX-CYBMUJFWSA-N 2 2 281.469 3.359 20 0 CGADLP CC[C@@H]1CCCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347850234 218375829 /nfs/dbraw/zinc/37/58/29/218375829.db2.gz FZNOOGUUKVCWBX-CYBMUJFWSA-N 2 2 281.469 3.359 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352832593 379990368 /nfs/dbraw/zinc/99/03/68/379990368.db2.gz WNOOXAZSHMLVJD-CYBMUJFWSA-N 2 2 289.448 3.364 20 0 CGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1F ZINC000641406508 379999453 /nfs/dbraw/zinc/99/94/53/379999453.db2.gz LYJOMJXHSMQTIA-INIZCTEOSA-N 2 2 299.393 3.179 20 0 CGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1F ZINC000641406508 379999461 /nfs/dbraw/zinc/99/94/61/379999461.db2.gz LYJOMJXHSMQTIA-INIZCTEOSA-N 2 2 299.393 3.179 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)c[nH]c2c1 ZINC000352903569 380028954 /nfs/dbraw/zinc/02/89/54/380028954.db2.gz PCBSUCIRLUQKCJ-KUHUBIRLSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1ccc2c(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)c[nH]c2c1 ZINC000352903569 380028958 /nfs/dbraw/zinc/02/89/58/380028958.db2.gz PCBSUCIRLUQKCJ-KUHUBIRLSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000642342599 380167640 /nfs/dbraw/zinc/16/76/40/380167640.db2.gz NGMWNTXIPRHWTJ-UHFFFAOYSA-N 2 2 281.359 3.106 20 0 CGADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccsc21 ZINC000286237763 380181352 /nfs/dbraw/zinc/18/13/52/380181352.db2.gz FCKQLFHRNAICNQ-QWHCGFSZSA-N 2 2 287.432 3.359 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c(C)c1 ZINC000414101839 380192356 /nfs/dbraw/zinc/19/23/56/380192356.db2.gz CGXHLDWFBXVUMX-ZQIUZPCESA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1 ZINC000414101839 380192361 /nfs/dbraw/zinc/19/23/61/380192361.db2.gz CGXHLDWFBXVUMX-ZQIUZPCESA-N 2 2 276.424 3.137 20 0 CGADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000286316625 380195559 /nfs/dbraw/zinc/19/55/59/380195559.db2.gz XKQRKKHTRMROAZ-OAHLLOKOSA-N 2 2 287.451 3.448 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2cccs2)c[nH+]1 ZINC000353945113 380247634 /nfs/dbraw/zinc/24/76/34/380247634.db2.gz NEAFRVUYXGXVLM-UHFFFAOYSA-N 2 2 260.406 3.216 20 0 CGADLP CC(=O)Nc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353945803 380248160 /nfs/dbraw/zinc/24/81/60/380248160.db2.gz RTZGYPGOFKAGFM-UHFFFAOYSA-N 2 2 297.402 3.071 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000353970165 380257302 /nfs/dbraw/zinc/25/73/02/380257302.db2.gz CETRFDQZACBRMW-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000353970165 380257309 /nfs/dbraw/zinc/25/73/09/380257309.db2.gz CETRFDQZACBRMW-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2ccccc2)c[nH+]1 ZINC000353919212 380235291 /nfs/dbraw/zinc/23/52/91/380235291.db2.gz XKGPFXPUFWKVSU-UHFFFAOYSA-N 2 2 254.377 3.155 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)[nH+]1 ZINC000353924483 380237623 /nfs/dbraw/zinc/23/76/23/380237623.db2.gz SAKMKJKZPMRYKD-UHFFFAOYSA-N 2 2 281.403 3.278 20 0 CGADLP Cc1ccc(CCC[NH2+]CC(C)(C)c2cccnc2)c[nH+]1 ZINC000414558629 380319793 /nfs/dbraw/zinc/31/97/93/380319793.db2.gz NEGFNZLWICTRJT-UHFFFAOYSA-N 2 2 283.419 3.285 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501309 380322083 /nfs/dbraw/zinc/32/20/83/380322083.db2.gz CKNUVNWMCUQNGX-IJEWVQPXSA-N 2 2 258.409 3.275 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC)cc1 ZINC000643501139 380322266 /nfs/dbraw/zinc/32/22/66/380322266.db2.gz WIXWMWZADDJMIL-WBVHZDCISA-N 2 2 276.424 3.268 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000643500977 380323467 /nfs/dbraw/zinc/32/34/67/380323467.db2.gz MLFKOLQKJATHQJ-NEPJUHHUSA-N 2 2 252.427 3.103 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc2ccccc2n1 ZINC000643501683 380324703 /nfs/dbraw/zinc/32/47/03/380324703.db2.gz NZRHSRVTDNSIKY-HIFRSBDPSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000643502962 380326559 /nfs/dbraw/zinc/32/65/59/380326559.db2.gz VZAIMWAKGXMBEB-ONGXEEELSA-N 2 2 258.818 3.194 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]CC[NH2+]C3CC3)oc21 ZINC000643506788 380328642 /nfs/dbraw/zinc/32/86/42/380328642.db2.gz ILYVXXUEFDQFTR-LBPRGKRZSA-N 2 2 288.391 3.234 20 0 CGADLP c1ccc([C@H](CC2CCC2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506777 380328757 /nfs/dbraw/zinc/32/87/57/380328757.db2.gz IHVAQEFNLWNADG-KRWDZBQOSA-N 2 2 258.409 3.260 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)s1 ZINC000643511436 380333007 /nfs/dbraw/zinc/33/30/07/380333007.db2.gz NIOXRQZIVFWRBZ-MFKMUULPSA-N 2 2 267.442 3.010 20 0 CGADLP CC(C)c1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)on1 ZINC000643455260 380308289 /nfs/dbraw/zinc/30/82/89/380308289.db2.gz RALLMJQXBDDWEJ-KBPBESRZSA-N 2 2 279.428 3.198 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225696 380369711 /nfs/dbraw/zinc/36/97/11/380369711.db2.gz SXGFCPCRZUXQEI-KBPBESRZSA-N 2 2 287.407 3.132 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225696 380369717 /nfs/dbraw/zinc/36/97/17/380369717.db2.gz SXGFCPCRZUXQEI-KBPBESRZSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225696 380369723 /nfs/dbraw/zinc/36/97/23/380369723.db2.gz SXGFCPCRZUXQEI-KBPBESRZSA-N 2 2 287.407 3.132 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3o2)C[C@@H]1C ZINC000354225696 380369729 /nfs/dbraw/zinc/36/97/29/380369729.db2.gz SXGFCPCRZUXQEI-KBPBESRZSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000414688928 380374101 /nfs/dbraw/zinc/37/41/01/380374101.db2.gz KDULDYJVBLBPEE-ZWKOTPCHSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000414688928 380374104 /nfs/dbraw/zinc/37/41/04/380374104.db2.gz KDULDYJVBLBPEE-ZWKOTPCHSA-N 2 2 290.451 3.041 20 0 CGADLP c1cn2c(cccc2C[NH2+]C2(c3ccccc3)CC2)[nH+]1 ZINC000354270100 380380725 /nfs/dbraw/zinc/38/07/25/380380725.db2.gz DKJKMSYBHMABFH-UHFFFAOYSA-N 2 2 263.344 3.113 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414741502 380391397 /nfs/dbraw/zinc/39/13/97/380391397.db2.gz MMXZLNIUTYDVOE-DOMZBBRYSA-N 2 2 298.858 3.394 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000643528066 380344478 /nfs/dbraw/zinc/34/44/78/380344478.db2.gz YMIHLTGIIJNMQD-IUCAKERBSA-N 2 2 252.745 3.084 20 0 CGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528487 380345109 /nfs/dbraw/zinc/34/51/09/380345109.db2.gz KCSQHHFTZPBXMQ-NWDGAFQWSA-N 2 2 289.448 3.040 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(F)cc(C)cc2Cl)C1 ZINC000414653799 380354067 /nfs/dbraw/zinc/35/40/67/380354067.db2.gz IHOHFMCYJCKPJD-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(F)cc(C)cc2Cl)C1 ZINC000414653799 380354073 /nfs/dbraw/zinc/35/40/73/380354073.db2.gz IHOHFMCYJCKPJD-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000643537646 380354691 /nfs/dbraw/zinc/35/46/91/380354691.db2.gz NKJBXMHOFOZCDG-KKUMJFAQSA-N 2 2 282.790 3.081 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H](C)c1ccc(Cl)cc1 ZINC000643538185 380355662 /nfs/dbraw/zinc/35/56/62/380355662.db2.gz APIHKWBWJVLFQP-JLUCKKNBSA-N 2 2 284.806 3.122 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c[nH+]1 ZINC000354402337 380425452 /nfs/dbraw/zinc/42/54/52/380425452.db2.gz HNWISERUDWZNRC-VAMGGRTRSA-N 2 2 292.426 3.498 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1sccc1Cl)C1CCCCC1 ZINC000414855346 380457256 /nfs/dbraw/zinc/45/72/56/380457256.db2.gz WUGMUFRRABKYIC-GFCCVEGCSA-N 2 2 272.845 3.399 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000414829510 380437186 /nfs/dbraw/zinc/43/71/86/380437186.db2.gz KQYBSPZBWMXQJK-WMLDXEAASA-N 2 2 254.377 3.080 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827891 380438404 /nfs/dbraw/zinc/43/84/04/380438404.db2.gz HZVDBOVRBADKFE-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414838278 380445709 /nfs/dbraw/zinc/44/57/09/380445709.db2.gz VHKOEVZLJPHKFQ-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414852035 380453721 /nfs/dbraw/zinc/45/37/21/380453721.db2.gz QBVVKCDBTLMMRN-CYBMUJFWSA-N 2 2 292.320 3.308 20 0 CGADLP COC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354319834 380397883 /nfs/dbraw/zinc/39/78/83/380397883.db2.gz PJRPUDWGVNLLSB-SFHVURJKSA-N 2 2 284.403 3.300 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414786841 380404975 /nfs/dbraw/zinc/40/49/75/380404975.db2.gz BIXAFSSQGSZHBK-OAHLLOKOSA-N 2 2 276.355 3.159 20 0 CGADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1Cl ZINC000414854289 380455976 /nfs/dbraw/zinc/45/59/76/380455976.db2.gz ZDTFOPYVTTVLLW-SNVBAGLBSA-N 2 2 292.732 3.200 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000354353631 380409465 /nfs/dbraw/zinc/40/94/65/380409465.db2.gz VCELFXCJONWNJG-UHFFFAOYSA-N 2 2 298.434 3.200 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1csc(Cl)c1Cl ZINC000414803889 380415598 /nfs/dbraw/zinc/41/55/98/380415598.db2.gz WZXLVZCOMXJNLQ-QMMMGPOBSA-N 2 2 267.225 3.128 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)oc2cc1C ZINC000414922942 380491279 /nfs/dbraw/zinc/49/12/79/380491279.db2.gz GOWXJYFCKXWITH-BZNIZROVSA-N 2 2 272.392 3.137 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000354581889 380492955 /nfs/dbraw/zinc/49/29/55/380492955.db2.gz XUVZOOPPXSHLGP-GOSISDBHSA-N 2 2 281.403 3.459 20 0 CGADLP COc1ccc(C)cc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414863514 380463263 /nfs/dbraw/zinc/46/32/63/380463263.db2.gz XFGMGNNTMPXOCX-UHFFFAOYSA-N 2 2 276.424 3.145 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414876912 380470508 /nfs/dbraw/zinc/47/05/08/380470508.db2.gz WVNJKPDGZQWPQT-UHFFFAOYSA-N 2 2 274.330 3.103 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000644901439 380542042 /nfs/dbraw/zinc/54/20/42/380542042.db2.gz NYRRWNUINIOFED-ZDUSSCGKSA-N 2 2 291.345 3.307 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000644901439 380542049 /nfs/dbraw/zinc/54/20/49/380542049.db2.gz NYRRWNUINIOFED-ZDUSSCGKSA-N 2 2 291.345 3.307 20 0 CGADLP c1cn([C@H]2CCC[N@H+]([C@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083348 380575123 /nfs/dbraw/zinc/57/51/23/380575123.db2.gz PRFSRFXHFBNFDJ-HOTGVXAUSA-N 2 2 259.397 3.409 20 0 CGADLP c1cn([C@H]2CCC[N@@H+]([C@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083348 380575127 /nfs/dbraw/zinc/57/51/27/380575127.db2.gz PRFSRFXHFBNFDJ-HOTGVXAUSA-N 2 2 259.397 3.409 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355128627 380588516 /nfs/dbraw/zinc/58/85/16/380588516.db2.gz CXXIAALFOQESEV-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355128627 380588521 /nfs/dbraw/zinc/58/85/21/380588521.db2.gz CXXIAALFOQESEV-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355128627 380588524 /nfs/dbraw/zinc/58/85/24/380588524.db2.gz CXXIAALFOQESEV-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355128627 380588528 /nfs/dbraw/zinc/58/85/28/380588528.db2.gz CXXIAALFOQESEV-YRXWBPOGSA-N 2 2 284.447 3.349 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417308102 380589766 /nfs/dbraw/zinc/58/97/66/380589766.db2.gz FESDNLGSJUEXJH-RFQIPJPRSA-N 2 2 275.421 3.115 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000355138025 380594606 /nfs/dbraw/zinc/59/46/06/380594606.db2.gz RAXJYAHKAWFBEE-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000355138025 380594611 /nfs/dbraw/zinc/59/46/11/380594611.db2.gz RAXJYAHKAWFBEE-WBVHZDCISA-N 2 2 272.436 3.287 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000417358974 380608108 /nfs/dbraw/zinc/60/81/08/380608108.db2.gz VDXGDPWSVPAHLC-CVEARBPZSA-N 2 2 258.409 3.007 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000645406940 380673703 /nfs/dbraw/zinc/67/37/03/380673703.db2.gz HBXPTPHJIYUBSA-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000645406940 380673705 /nfs/dbraw/zinc/67/37/05/380673705.db2.gz HBXPTPHJIYUBSA-WBVHZDCISA-N 2 2 296.499 3.434 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@H+]1CC=CCC1)c1ccccc1 ZINC000355507845 380691362 /nfs/dbraw/zinc/69/13/62/380691362.db2.gz XQHZVSHZOVLQDD-INIZCTEOSA-N 2 2 258.409 3.032 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@@H+]1CC=CCC1)c1ccccc1 ZINC000355507845 380691372 /nfs/dbraw/zinc/69/13/72/380691372.db2.gz XQHZVSHZOVLQDD-INIZCTEOSA-N 2 2 258.409 3.032 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000355733541 380762129 /nfs/dbraw/zinc/76/21/29/380762129.db2.gz LOSFNMZGOQNGFV-QLFBSQMISA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000355733541 380762141 /nfs/dbraw/zinc/76/21/41/380762141.db2.gz LOSFNMZGOQNGFV-QLFBSQMISA-N 2 2 282.472 3.043 20 0 CGADLP CC(C)c1nc(N(C)CC[NH+](C(C)C)C(C)C)cc[nH+]1 ZINC000355568010 380712320 /nfs/dbraw/zinc/71/23/20/380712320.db2.gz QYYXDBNORNSUQN-UHFFFAOYSA-N 2 2 278.444 3.155 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000356891437 380922878 /nfs/dbraw/zinc/92/28/78/380922878.db2.gz GUGLARDUXOIBGN-LBPRGKRZSA-N 2 2 276.346 3.102 20 0 CGADLP CC[C@H](C)C[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000357413688 381150491 /nfs/dbraw/zinc/15/04/91/381150491.db2.gz CMSFOMXSQNZWGY-YJBOKZPZSA-N 2 2 290.451 3.468 20 0 CGADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000360006026 381406847 /nfs/dbraw/zinc/40/68/47/381406847.db2.gz KMSBWUYVHWSPRV-HNNXBMFYSA-N 2 2 289.810 3.057 20 0 CGADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000360006026 381406851 /nfs/dbraw/zinc/40/68/51/381406851.db2.gz KMSBWUYVHWSPRV-HNNXBMFYSA-N 2 2 289.810 3.057 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360035358 381419733 /nfs/dbraw/zinc/41/97/33/381419733.db2.gz AOZLQTGVWMOVFO-ZDUSSCGKSA-N 2 2 289.448 3.483 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc1C(C)C ZINC000361340364 381705451 /nfs/dbraw/zinc/70/54/51/381705451.db2.gz CZNVJJJAIGJIIN-DGCLKSJQSA-N 2 2 281.469 3.147 20 0 CGADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1C(C)C ZINC000361340364 381705456 /nfs/dbraw/zinc/70/54/56/381705456.db2.gz CZNVJJJAIGJIIN-DGCLKSJQSA-N 2 2 281.469 3.147 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361496935 381774233 /nfs/dbraw/zinc/77/42/33/381774233.db2.gz NYEWPXPZHNALSN-WBVHZDCISA-N 2 2 260.425 3.285 20 0 CGADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361496935 381774238 /nfs/dbraw/zinc/77/42/38/381774238.db2.gz NYEWPXPZHNALSN-WBVHZDCISA-N 2 2 260.425 3.285 20 0 CGADLP COC1(C[N@@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCCC1 ZINC000361561439 381805821 /nfs/dbraw/zinc/80/58/21/381805821.db2.gz FGXRBZXWEYNIMD-ZACQAIPSSA-N 2 2 294.483 3.283 20 0 CGADLP COC1(C[N@H+]2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CCCC1 ZINC000361561439 381805832 /nfs/dbraw/zinc/80/58/32/381805832.db2.gz FGXRBZXWEYNIMD-ZACQAIPSSA-N 2 2 294.483 3.283 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362916274 382147221 /nfs/dbraw/zinc/14/72/21/382147221.db2.gz GALHGBLAEPIKDT-UHFFFAOYSA-N 2 2 283.350 3.343 20 0 CGADLP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229367198 542299656 /nfs/dbraw/zinc/29/96/56/542299656.db2.gz BPQUGTJQQARQNZ-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229367198 542299658 /nfs/dbraw/zinc/29/96/58/542299658.db2.gz BPQUGTJQQARQNZ-YESZJQIVSA-N 2 2 292.467 3.085 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000367204558 382337531 /nfs/dbraw/zinc/33/75/31/382337531.db2.gz LJVAVSHWUFAEGU-NUEKZKHPSA-N 2 2 267.376 3.151 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061497 382413469 /nfs/dbraw/zinc/41/34/69/382413469.db2.gz GTRPXFLULQDJDD-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061497 382413473 /nfs/dbraw/zinc/41/34/73/382413473.db2.gz GTRPXFLULQDJDD-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCc3ccccc32)CC[N@@H+]1C ZINC000252198864 542349501 /nfs/dbraw/zinc/34/95/01/542349501.db2.gz VXQVJOWZGMHZCM-INWMFGNUSA-N 2 2 276.449 3.047 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCc3ccccc32)CC[N@H+]1C ZINC000252198864 542349504 /nfs/dbraw/zinc/34/95/04/542349504.db2.gz VXQVJOWZGMHZCM-INWMFGNUSA-N 2 2 276.449 3.047 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1C[NH3+] ZINC000252708302 542351203 /nfs/dbraw/zinc/35/12/03/542351203.db2.gz ZTBBXOMAIFAGDW-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1C[NH3+] ZINC000252708302 542351206 /nfs/dbraw/zinc/35/12/06/542351206.db2.gz ZTBBXOMAIFAGDW-RISCZKNCSA-N 2 2 268.351 3.183 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000252979108 542351842 /nfs/dbraw/zinc/35/18/42/542351842.db2.gz GGHJPCGQNYAXIS-GXFFZTMASA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@H]1[NH3+] ZINC000252979108 542351844 /nfs/dbraw/zinc/35/18/44/542351844.db2.gz GGHJPCGQNYAXIS-GXFFZTMASA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn[nH]c1 ZINC000280891870 195017565 /nfs/dbraw/zinc/01/75/65/195017565.db2.gz DFJITHHGVKBVML-QWHCGFSZSA-N 2 2 281.363 3.007 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC000411966031 533006865 /nfs/dbraw/zinc/00/68/65/533006865.db2.gz GJAZZERZBPRVBX-OIISXLGYSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000411966031 533006871 /nfs/dbraw/zinc/00/68/71/533006871.db2.gz GJAZZERZBPRVBX-OIISXLGYSA-N 2 2 282.472 3.043 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246174 533007757 /nfs/dbraw/zinc/00/77/57/533007757.db2.gz POFWQRYAHWBBRR-BBRMVZONSA-N 2 2 270.376 3.046 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246179 533007851 /nfs/dbraw/zinc/00/78/51/533007851.db2.gz POFWQRYAHWBBRR-XJKSGUPXSA-N 2 2 270.376 3.046 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(Cl)c1 ZINC000335275007 208081322 /nfs/dbraw/zinc/08/13/22/208081322.db2.gz JJTOYPYTXGTFTJ-MWLCHTKSSA-N 2 2 281.812 3.264 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000423344639 533027627 /nfs/dbraw/zinc/02/76/27/533027627.db2.gz XBEDRYGHTBTGEZ-AWEZNQCLSA-N 2 2 296.480 3.074 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000335346363 208240406 /nfs/dbraw/zinc/24/04/06/208240406.db2.gz RBFBALRQBUYOPG-UHFFFAOYSA-N 2 2 255.365 3.098 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@H](F)C3)c[nH+]c12 ZINC000335372727 208305503 /nfs/dbraw/zinc/30/55/03/208305503.db2.gz OEIPZAWZJTYBLX-QWHCGFSZSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749906 220303125 /nfs/dbraw/zinc/30/31/25/220303125.db2.gz NCIIUXQYXXSIMM-DZGCQCFKSA-N 2 2 264.388 3.130 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749906 220303128 /nfs/dbraw/zinc/30/31/28/220303128.db2.gz NCIIUXQYXXSIMM-DZGCQCFKSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749906 220303132 /nfs/dbraw/zinc/30/31/32/220303132.db2.gz NCIIUXQYXXSIMM-DZGCQCFKSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749906 220303136 /nfs/dbraw/zinc/30/31/36/220303136.db2.gz NCIIUXQYXXSIMM-DZGCQCFKSA-N 2 2 264.388 3.130 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000289360822 197311007 /nfs/dbraw/zinc/31/10/07/197311007.db2.gz ZEFOHWPLSNXXOX-CZUORRHYSA-N 2 2 255.365 3.111 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCN(C)c1ccccc1 ZINC000289329101 197298280 /nfs/dbraw/zinc/29/82/80/197298280.db2.gz USADALSDSZTYHR-UHFFFAOYSA-N 2 2 283.419 3.049 20 0 CGADLP COCC[C@@H]1CCCC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750168 285144362 /nfs/dbraw/zinc/14/43/62/285144362.db2.gz BGYINYIJQYWSLQ-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450750168 285144363 /nfs/dbraw/zinc/14/43/63/285144363.db2.gz BGYINYIJQYWSLQ-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450750168 285144365 /nfs/dbraw/zinc/14/43/65/285144365.db2.gz BGYINYIJQYWSLQ-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP COCC[C@@H]1CCCC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450750168 285144366 /nfs/dbraw/zinc/14/43/66/285144366.db2.gz BGYINYIJQYWSLQ-ROUUACIJSA-N 2 2 296.499 3.388 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(F)cc1 ZINC000289188398 197258307 /nfs/dbraw/zinc/25/83/07/197258307.db2.gz GQORKBYXOAHECH-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP c1cc2cccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)c2[nH]1 ZINC000353903826 220399446 /nfs/dbraw/zinc/39/94/46/220399446.db2.gz WRLQFIFMYMEUHC-UHFFFAOYSA-N 2 2 280.375 3.271 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288329651 197051924 /nfs/dbraw/zinc/05/19/24/197051924.db2.gz AORJJZNWLHBGHS-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288329651 197051925 /nfs/dbraw/zinc/05/19/25/197051925.db2.gz AORJJZNWLHBGHS-LPHOPBHVSA-N 2 2 295.430 3.143 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328507850 542443779 /nfs/dbraw/zinc/44/37/79/542443779.db2.gz MBXYQZCSNVRYIT-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328507850 542443781 /nfs/dbraw/zinc/44/37/81/542443781.db2.gz MBXYQZCSNVRYIT-WFASDCNBSA-N 2 2 266.816 3.475 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353465418 542556788 /nfs/dbraw/zinc/55/67/88/542556788.db2.gz UHSPTQRDYVWCDW-MSOLQXFVSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524359 542558256 /nfs/dbraw/zinc/55/82/56/542558256.db2.gz VRGGBMKMJOZYJY-HOCLYGCPSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524359 542558257 /nfs/dbraw/zinc/55/82/57/542558257.db2.gz VRGGBMKMJOZYJY-HOCLYGCPSA-N 2 2 290.455 3.105 20 0 CGADLP c1c(CC[NH2+]C(C2CCC2)C2CCC2)[nH+]c2ccccn12 ZINC000283440025 195859140 /nfs/dbraw/zinc/85/91/40/195859140.db2.gz TUYJPASFWLALDJ-UHFFFAOYSA-N 2 2 283.419 3.435 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCCn1cc[nH+]c1)[C@@H]2C ZINC000359543384 533264920 /nfs/dbraw/zinc/26/49/20/533264920.db2.gz UQJCNHXJKIURCT-HUUCEWRRSA-N 2 2 299.418 3.290 20 0 CGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCn1cc[nH+]c1)[C@@H]2C ZINC000359543384 533264923 /nfs/dbraw/zinc/26/49/23/533264923.db2.gz UQJCNHXJKIURCT-HUUCEWRRSA-N 2 2 299.418 3.290 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232020 533416421 /nfs/dbraw/zinc/41/64/21/533416421.db2.gz BSVWWUFMTAPKAD-YOEHRIQHSA-N 2 2 284.403 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000423420324 533437666 /nfs/dbraw/zinc/43/76/66/533437666.db2.gz JICPRRYPYOTTQS-RDTXWAMCSA-N 2 2 266.388 3.224 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)cc(F)c1 ZINC000367439697 533467552 /nfs/dbraw/zinc/46/75/52/533467552.db2.gz WILZDKAFALSTBN-LLVKDONJSA-N 2 2 291.345 3.348 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1Cl ZINC000423551743 533518323 /nfs/dbraw/zinc/51/83/23/533518323.db2.gz JLUWFUAKWZQGRP-VXGBXAGGSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423542997 533540901 /nfs/dbraw/zinc/54/09/01/533540901.db2.gz BMZILQLXWVXIQK-OCCSQVGLSA-N 2 2 258.365 3.226 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423245412 533567388 /nfs/dbraw/zinc/56/73/88/533567388.db2.gz IUFGMOAVRKSICU-YJBOKZPZSA-N 2 2 283.419 3.082 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000380863956 542595915 /nfs/dbraw/zinc/59/59/15/542595915.db2.gz WNIQGLBAVJDTTA-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000380863956 542595917 /nfs/dbraw/zinc/59/59/17/542595917.db2.gz WNIQGLBAVJDTTA-NVXWUHKLSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389156713 542607129 /nfs/dbraw/zinc/60/71/29/542607129.db2.gz KVEXQYDOIHJFBO-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000389156713 542607130 /nfs/dbraw/zinc/60/71/30/542607130.db2.gz KVEXQYDOIHJFBO-KRWDZBQOSA-N 2 2 283.419 3.117 20 0 CGADLP FC1(F)CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000381877392 542599170 /nfs/dbraw/zinc/59/91/70/542599170.db2.gz NLLBPWMKSVPVQB-HOTGVXAUSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381877392 542599175 /nfs/dbraw/zinc/59/91/75/542599175.db2.gz NLLBPWMKSVPVQB-HOTGVXAUSA-N 2 2 294.389 3.428 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389506101 542607963 /nfs/dbraw/zinc/60/79/63/542607963.db2.gz DDQLDMHFACWCFS-ADKAHSJRSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000389506101 542607964 /nfs/dbraw/zinc/60/79/64/542607964.db2.gz DDQLDMHFACWCFS-ADKAHSJRSA-N 2 2 272.436 3.315 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@H]1C ZINC000042781825 391985901 /nfs/dbraw/zinc/98/59/01/391985901.db2.gz ZYNLWVSKZXQHPZ-VXGBXAGGSA-N 2 2 252.427 3.041 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@H]1C ZINC000042781825 391985910 /nfs/dbraw/zinc/98/59/10/391985910.db2.gz ZYNLWVSKZXQHPZ-VXGBXAGGSA-N 2 2 252.427 3.041 20 0 CGADLP c1cc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCC4)CC3)c2cn1 ZINC000267969013 285463778 /nfs/dbraw/zinc/46/37/78/285463778.db2.gz MLCSBWBSEHMZFS-HNNXBMFYSA-N 2 2 296.418 3.085 20 0 CGADLP CCOc1cccc(C[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000032130183 391967133 /nfs/dbraw/zinc/96/71/33/391967133.db2.gz LELMQIGXIWEDSE-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CCOc1cccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC000032130183 391967141 /nfs/dbraw/zinc/96/71/41/391967141.db2.gz LELMQIGXIWEDSE-UHFFFAOYSA-N 2 2 284.403 3.046 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1C ZINC000070143068 392177276 /nfs/dbraw/zinc/17/72/76/392177276.db2.gz LPOBMKVLCAMOFP-HUUCEWRRSA-N 2 2 292.471 3.181 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000361689410 392295261 /nfs/dbraw/zinc/29/52/61/392295261.db2.gz KVWRKGHALAYJRG-CQSZACIVSA-N 2 2 269.392 3.413 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000361689410 392295266 /nfs/dbraw/zinc/29/52/66/392295266.db2.gz KVWRKGHALAYJRG-CQSZACIVSA-N 2 2 269.392 3.413 20 0 CGADLP Fc1cccc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361931914 392368347 /nfs/dbraw/zinc/36/83/47/392368347.db2.gz ZBVPDEMJMPFZJI-MRXNPFEDSA-N 2 2 285.366 3.300 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000361938657 392369932 /nfs/dbraw/zinc/36/99/32/392369932.db2.gz TVFJPMDSVCUOMQ-LBPRGKRZSA-N 2 2 289.345 3.102 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000361938657 392369937 /nfs/dbraw/zinc/36/99/37/392369937.db2.gz TVFJPMDSVCUOMQ-LBPRGKRZSA-N 2 2 289.345 3.102 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccsc21 ZINC000286237758 392379064 /nfs/dbraw/zinc/37/90/64/392379064.db2.gz FCKQLFHRNAICNQ-CHWSQXEVSA-N 2 2 287.432 3.359 20 0 CGADLP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000362026511 392391612 /nfs/dbraw/zinc/39/16/12/392391612.db2.gz MYAJPUQPRARDEK-WMZOPIPTSA-N 2 2 299.418 3.171 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccco1)CCC2 ZINC000366212777 392451292 /nfs/dbraw/zinc/45/12/92/392451292.db2.gz WRKBYOLDRGWWLV-STQMWFEESA-N 2 2 259.353 3.013 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782646 392480193 /nfs/dbraw/zinc/48/01/93/392480193.db2.gz VASAOTBGTLUGMC-BBRMVZONSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000291782646 392480197 /nfs/dbraw/zinc/48/01/97/392480197.db2.gz VASAOTBGTLUGMC-BBRMVZONSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccco3)CC2)C1 ZINC000152036472 392493102 /nfs/dbraw/zinc/49/31/02/392493102.db2.gz WVRSDXYDEPTOCF-GDBMZVCRSA-N 2 2 276.424 3.412 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000302240334 392613468 /nfs/dbraw/zinc/61/34/68/392613468.db2.gz NBHZXRQWMLQGML-OAHLLOKOSA-N 2 2 281.403 3.249 20 0 CGADLP Cc1cccc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000302240334 392613470 /nfs/dbraw/zinc/61/34/70/392613470.db2.gz NBHZXRQWMLQGML-OAHLLOKOSA-N 2 2 281.403 3.249 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000647288456 392639269 /nfs/dbraw/zinc/63/92/69/392639269.db2.gz DZZHYBAGKNQBNW-MSOLQXFVSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000647288456 392639276 /nfs/dbraw/zinc/63/92/76/392639276.db2.gz DZZHYBAGKNQBNW-MSOLQXFVSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000647288457 392639365 /nfs/dbraw/zinc/63/93/65/392639365.db2.gz DZZHYBAGKNQBNW-QZTJIDSGSA-N 2 2 287.451 3.243 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccncc1 ZINC000647288457 392639367 /nfs/dbraw/zinc/63/93/67/392639367.db2.gz DZZHYBAGKNQBNW-QZTJIDSGSA-N 2 2 287.451 3.243 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)CC1 ZINC000372950734 392649253 /nfs/dbraw/zinc/64/92/53/392649253.db2.gz DXKQDMFLARVXKX-CQSZACIVSA-N 2 2 296.842 3.135 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)CC1 ZINC000372950734 392649257 /nfs/dbraw/zinc/64/92/57/392649257.db2.gz DXKQDMFLARVXKX-CQSZACIVSA-N 2 2 296.842 3.135 20 0 CGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H](C)COC)c1ccc(Cl)cc1 ZINC000506633306 392728326 /nfs/dbraw/zinc/72/83/26/392728326.db2.gz OVMUOAAYPKDQHF-CJNGLKHVSA-N 2 2 298.858 3.347 20 0 CGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](C)COC)c1ccc(Cl)cc1 ZINC000506633306 392728330 /nfs/dbraw/zinc/72/83/30/392728330.db2.gz OVMUOAAYPKDQHF-CJNGLKHVSA-N 2 2 298.858 3.347 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000334491920 392731068 /nfs/dbraw/zinc/73/10/68/392731068.db2.gz BAEMIBZFLGHTMO-QGZVFWFLSA-N 2 2 285.366 3.416 20 0 CGADLP C[N@H+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487321 392739158 /nfs/dbraw/zinc/73/91/58/392739158.db2.gz ZUNYTYGBZMVVBD-FOSCPWQOSA-N 2 2 270.829 3.116 20 0 CGADLP C[N@@H+](Cc1cscc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487321 392739161 /nfs/dbraw/zinc/73/91/61/392739161.db2.gz ZUNYTYGBZMVVBD-FOSCPWQOSA-N 2 2 270.829 3.116 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000647531446 392754126 /nfs/dbraw/zinc/75/41/26/392754126.db2.gz XJMUCBPAHBAOMB-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000647532850 392754144 /nfs/dbraw/zinc/75/41/44/392754144.db2.gz FQYZKBGSLNVWFR-HNAYVOBHSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000647532850 392754157 /nfs/dbraw/zinc/75/41/57/392754157.db2.gz FQYZKBGSLNVWFR-HNAYVOBHSA-N 2 2 296.414 3.032 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534039 392755466 /nfs/dbraw/zinc/75/54/66/392755466.db2.gz FEVLYFWLLHNKSS-ROUUACIJSA-N 2 2 272.436 3.036 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534039 392755474 /nfs/dbraw/zinc/75/54/74/392755474.db2.gz FEVLYFWLLHNKSS-ROUUACIJSA-N 2 2 272.436 3.036 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C(C)(C)C)cn21 ZINC000647364221 392708676 /nfs/dbraw/zinc/70/86/76/392708676.db2.gz VVWVBLFBYORHOY-ZDUSSCGKSA-N 2 2 259.397 3.209 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000185795962 392773873 /nfs/dbraw/zinc/77/38/73/392773873.db2.gz JEAUJKYTTLAJSM-QGZVFWFLSA-N 2 2 269.392 3.110 20 0 CGADLP CC[C@@H]1Cc2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000185795962 392773874 /nfs/dbraw/zinc/77/38/74/392773874.db2.gz JEAUJKYTTLAJSM-QGZVFWFLSA-N 2 2 269.392 3.110 20 0 CGADLP COc1ccccc1C1([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000647802645 392802872 /nfs/dbraw/zinc/80/28/72/392802872.db2.gz RSTINRTUIIGMKZ-IAGOWNOFSA-N 2 2 294.398 3.419 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CCC2)c1 ZINC000647802413 392803735 /nfs/dbraw/zinc/80/37/35/392803735.db2.gz KMVNADKFSJKXJZ-GOEBONIOSA-N 2 2 258.409 3.104 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814760 392808482 /nfs/dbraw/zinc/80/84/82/392808482.db2.gz DUTVTCUEMAJCEX-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814760 392808486 /nfs/dbraw/zinc/80/84/86/392808486.db2.gz DUTVTCUEMAJCEX-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000647844047 392810503 /nfs/dbraw/zinc/81/05/03/392810503.db2.gz OMLNPHMVCGSKQZ-UKRRQHHQSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000510738914 392813207 /nfs/dbraw/zinc/81/32/07/392813207.db2.gz VTSQDYGKFUWNQS-OWCLPIDISA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000510990637 392822917 /nfs/dbraw/zinc/82/29/17/392822917.db2.gz DBHXAUKJIBHGQP-IGCXYCKISA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000510990637 392822928 /nfs/dbraw/zinc/82/29/28/392822928.db2.gz DBHXAUKJIBHGQP-IGCXYCKISA-N 2 2 296.405 3.358 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647925626 392836009 /nfs/dbraw/zinc/83/60/09/392836009.db2.gz QOBAKPHZVPKBEW-UHFFFAOYSA-N 2 2 291.420 3.025 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c[nH+]1 ZINC000648048315 392884081 /nfs/dbraw/zinc/88/40/81/392884081.db2.gz YDVNJRFRWLJWSY-MSOLQXFVSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c[nH+]1 ZINC000648048315 392884084 /nfs/dbraw/zinc/88/40/84/392884084.db2.gz YDVNJRFRWLJWSY-MSOLQXFVSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nccc2ccccc21 ZINC000377798701 392889776 /nfs/dbraw/zinc/88/97/76/392889776.db2.gz LSOPGXQUQREHQO-GXTWGEPZSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1nccc2ccccc21 ZINC000377798701 392889783 /nfs/dbraw/zinc/88/97/83/392889783.db2.gz LSOPGXQUQREHQO-GXTWGEPZSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799461 392890007 /nfs/dbraw/zinc/89/00/07/392890007.db2.gz VCKRQYIAUDEYMT-SUMWQHHRSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000377799461 392890017 /nfs/dbraw/zinc/89/00/17/392890017.db2.gz VCKRQYIAUDEYMT-SUMWQHHRSA-N 2 2 295.430 3.497 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@@H+]1C ZINC000194412935 392918998 /nfs/dbraw/zinc/91/89/98/392918998.db2.gz QDLSWEMOKBAMDO-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cs2)CC[N@H+]1C ZINC000194412935 392919002 /nfs/dbraw/zinc/91/90/02/392919002.db2.gz QDLSWEMOKBAMDO-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412935 392919006 /nfs/dbraw/zinc/91/90/06/392919006.db2.gz QDLSWEMOKBAMDO-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cs2)CC[NH+]1C ZINC000194412935 392919007 /nfs/dbraw/zinc/91/90/07/392919007.db2.gz QDLSWEMOKBAMDO-CMPLNLGQSA-N 2 2 272.845 3.316 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000381556758 392909893 /nfs/dbraw/zinc/90/98/93/392909893.db2.gz VRUUXLSDKLPDIZ-SALKPKHPSA-N 2 2 264.457 3.274 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000381556758 392909900 /nfs/dbraw/zinc/90/99/00/392909900.db2.gz VRUUXLSDKLPDIZ-SALKPKHPSA-N 2 2 264.457 3.274 20 0 CGADLP Cc1nsc(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000647961319 392845055 /nfs/dbraw/zinc/84/50/55/392845055.db2.gz ANOZQDMFBPQESX-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1nsc(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000647961319 392845062 /nfs/dbraw/zinc/84/50/62/392845062.db2.gz ANOZQDMFBPQESX-UHFFFAOYSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000336497274 392858979 /nfs/dbraw/zinc/85/89/79/392858979.db2.gz HBSJEYRDIKKLJM-WCQYABFASA-N 2 2 275.421 3.227 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985546 542722273 /nfs/dbraw/zinc/72/22/73/542722273.db2.gz KYVDQRWWVIZFKP-GXTWGEPZSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985546 542722274 /nfs/dbraw/zinc/72/22/74/542722274.db2.gz KYVDQRWWVIZFKP-GXTWGEPZSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985546 542722276 /nfs/dbraw/zinc/72/22/76/542722276.db2.gz KYVDQRWWVIZFKP-GXTWGEPZSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2scnc2C2CC2)[C@@H](C)C1 ZINC000494985546 542722278 /nfs/dbraw/zinc/72/22/78/542722278.db2.gz KYVDQRWWVIZFKP-GXTWGEPZSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342753408 393006255 /nfs/dbraw/zinc/00/62/55/393006255.db2.gz NARFOATWXWYIIP-CQSZACIVSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342753408 393006263 /nfs/dbraw/zinc/00/62/63/393006263.db2.gz NARFOATWXWYIIP-CQSZACIVSA-N 2 2 257.381 3.345 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@@H](C)C1 ZINC000466399975 393026974 /nfs/dbraw/zinc/02/69/74/393026974.db2.gz ANQYCKVZUGSUFY-OVWQWFNUSA-N 2 2 272.436 3.171 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3C)C2)[C@@H](C)C1 ZINC000466399975 393026978 /nfs/dbraw/zinc/02/69/78/393026978.db2.gz ANQYCKVZUGSUFY-OVWQWFNUSA-N 2 2 272.436 3.171 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410325449 392974625 /nfs/dbraw/zinc/97/46/25/392974625.db2.gz IPPXKSUBYHQYHK-JKSUJKDBSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410325449 392974628 /nfs/dbraw/zinc/97/46/28/392974628.db2.gz IPPXKSUBYHQYHK-JKSUJKDBSA-N 2 2 252.446 3.229 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000546878961 393081336 /nfs/dbraw/zinc/08/13/36/393081336.db2.gz GVMHHDGENTZSQG-LLVKDONJSA-N 2 2 285.313 3.463 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415024224 393101038 /nfs/dbraw/zinc/10/10/38/393101038.db2.gz YKTQMVTYOWFKEW-KBPBESRZSA-N 2 2 284.403 3.188 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCc1cn(C)c[nH+]1)CCCO2 ZINC000414121817 393039206 /nfs/dbraw/zinc/03/92/06/393039206.db2.gz HVHFZXBOGYBTNB-QGZVFWFLSA-N 2 2 299.418 3.083 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)[C@@H]1C[C@@H]1C ZINC000414118803 393039549 /nfs/dbraw/zinc/03/95/49/393039549.db2.gz VUJVULNOUVGOBM-MHEUCROKSA-N 2 2 261.413 3.093 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H]1CC=CCC1)CCC2 ZINC000344506973 393045103 /nfs/dbraw/zinc/04/51/03/393045103.db2.gz BQZSDLTZKSWJFR-GJZGRUSLSA-N 2 2 259.397 3.015 20 0 CGADLP CCCc1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415038178 393106404 /nfs/dbraw/zinc/10/64/04/393106404.db2.gz HQHNZBOXVZZTSU-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1csc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415038178 393106412 /nfs/dbraw/zinc/10/64/12/393106412.db2.gz HQHNZBOXVZZTSU-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246251463 393055049 /nfs/dbraw/zinc/05/50/49/393055049.db2.gz OAKKJEHPMXCIIT-MAUKXSAKSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246251463 393055054 /nfs/dbraw/zinc/05/50/54/393055054.db2.gz OAKKJEHPMXCIIT-MAUKXSAKSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1C ZINC000415035670 393106569 /nfs/dbraw/zinc/10/65/69/393106569.db2.gz FBNOUKRRWRPZBI-RBUKOAKNSA-N 2 2 280.415 3.149 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414974974 393074946 /nfs/dbraw/zinc/07/49/46/393074946.db2.gz FLQDUDJAAAENIB-KRWDZBQOSA-N 2 2 284.403 3.093 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348078872 393112477 /nfs/dbraw/zinc/11/24/77/393112477.db2.gz FMQNALSUPMAJQG-HUUCEWRRSA-N 2 2 275.440 3.176 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000415053710 393115729 /nfs/dbraw/zinc/11/57/29/393115729.db2.gz MRRYHJLCDZMLOM-AWEZNQCLSA-N 2 2 289.448 3.273 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000547505385 393123764 /nfs/dbraw/zinc/12/37/64/393123764.db2.gz IOCBUUBCBSPJQM-RYUDHWBXSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000547505385 393123770 /nfs/dbraw/zinc/12/37/70/393123770.db2.gz IOCBUUBCBSPJQM-RYUDHWBXSA-N 2 2 266.351 3.039 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccs1 ZINC000415065527 393124322 /nfs/dbraw/zinc/12/43/22/393124322.db2.gz MYVJPWXBTCQENM-HNNXBMFYSA-N 2 2 260.406 3.100 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000468511910 393149431 /nfs/dbraw/zinc/14/94/31/393149431.db2.gz PMWUESNTNHIYOA-DZJNRPSUSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000468511910 393149437 /nfs/dbraw/zinc/14/94/37/393149437.db2.gz PMWUESNTNHIYOA-DZJNRPSUSA-N 2 2 272.436 3.253 20 0 CGADLP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415120486 393150851 /nfs/dbraw/zinc/15/08/51/393150851.db2.gz YGAQPQRDLJRFMH-CQSZACIVSA-N 2 2 298.352 3.079 20 0 CGADLP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415121604 393151896 /nfs/dbraw/zinc/15/18/96/393151896.db2.gz MWDBUUQRVOBBNV-QFBILLFUSA-N 2 2 298.405 3.451 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000415136638 393156065 /nfs/dbraw/zinc/15/60/65/393156065.db2.gz XLTXSKCDPVWSEL-VHSXEESVSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000415136638 393156074 /nfs/dbraw/zinc/15/60/74/393156074.db2.gz XLTXSKCDPVWSEL-VHSXEESVSA-N 2 2 292.370 3.184 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272028 393217908 /nfs/dbraw/zinc/21/79/08/393217908.db2.gz NQXJNASFGOTPEK-XUJVJEKNSA-N 2 2 286.410 3.273 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272028 393217914 /nfs/dbraw/zinc/21/79/14/393217914.db2.gz NQXJNASFGOTPEK-XUJVJEKNSA-N 2 2 286.410 3.273 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353498610 393223722 /nfs/dbraw/zinc/22/37/22/393223722.db2.gz AMNZIBBSQGRODC-LZWOXQAQSA-N 2 2 268.420 3.121 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353498610 393223734 /nfs/dbraw/zinc/22/37/34/393223734.db2.gz AMNZIBBSQGRODC-LZWOXQAQSA-N 2 2 268.420 3.121 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000471600630 393287484 /nfs/dbraw/zinc/28/74/84/393287484.db2.gz CQTWWZOHCKYGLZ-ZOBUZTSGSA-N 2 2 292.492 3.405 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CSc2ccc(C)cc2)[C@@H](C)C1 ZINC000471600630 393287490 /nfs/dbraw/zinc/28/74/90/393287490.db2.gz CQTWWZOHCKYGLZ-ZOBUZTSGSA-N 2 2 292.492 3.405 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000472063128 393329568 /nfs/dbraw/zinc/32/95/68/393329568.db2.gz MLJLYXQFBPJSRP-YJYMSZOUSA-N 2 2 297.446 3.357 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2c1C ZINC000472063128 393329573 /nfs/dbraw/zinc/32/95/73/393329573.db2.gz MLJLYXQFBPJSRP-YJYMSZOUSA-N 2 2 297.446 3.357 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475338560 393394311 /nfs/dbraw/zinc/39/43/11/393394311.db2.gz ZHMUVAAMZGHVTO-UOJCXKCYSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475338560 393394314 /nfs/dbraw/zinc/39/43/14/393394314.db2.gz ZHMUVAAMZGHVTO-UOJCXKCYSA-N 2 2 276.399 3.002 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C1CCC(F)(F)CC1)Cc1ccccc1 ZINC000647166272 393365147 /nfs/dbraw/zinc/36/51/47/393365147.db2.gz GTZXIRMCBSXFRG-INIZCTEOSA-N 2 2 296.405 3.327 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC(F)(F)CC3)cn21 ZINC000647263215 393420911 /nfs/dbraw/zinc/42/09/11/393420911.db2.gz XRDGXHGZCORANS-UHFFFAOYSA-N 2 2 293.361 3.353 20 0 CGADLP Cc1ccc(F)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647262901 393421276 /nfs/dbraw/zinc/42/12/76/393421276.db2.gz XMRYESJSWIWFTD-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP Cc1[nH+]c2cc(C3=CC[NH2+]CC3)ccc2n1C(C)C ZINC000649443764 393434063 /nfs/dbraw/zinc/43/40/63/393434063.db2.gz LKROHNZEIIXDKJ-UHFFFAOYSA-N 2 2 255.365 3.302 20 0 CGADLP Clc1cccc2c(NCC[C@H]3CCC[NH2+]3)cc[nH+]c12 ZINC000420233549 393441405 /nfs/dbraw/zinc/44/14/05/393441405.db2.gz GDAMCMBRIVFEAR-LLVKDONJSA-N 2 2 275.783 3.442 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[C@@H]([NH3+])C3)cc[nH+]c12 ZINC000420273601 393447178 /nfs/dbraw/zinc/44/71/78/393447178.db2.gz DXWCQCUKPNXTRK-CHWSQXEVSA-N 2 2 285.391 3.173 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000420296749 393452924 /nfs/dbraw/zinc/45/29/24/393452924.db2.gz DTIVPNRLPSCLEX-LLVKDONJSA-N 2 2 268.351 3.057 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000420296749 393452926 /nfs/dbraw/zinc/45/29/26/393452926.db2.gz DTIVPNRLPSCLEX-LLVKDONJSA-N 2 2 268.351 3.057 20 0 CGADLP Cc1cc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)ccc1F ZINC000427860526 393457613 /nfs/dbraw/zinc/45/76/13/393457613.db2.gz AQZCJFGXUKVIOO-CRAIPNDOSA-N 2 2 299.393 3.386 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359521 393472468 /nfs/dbraw/zinc/47/24/68/393472468.db2.gz FTOXQRVKIIXUHU-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359521 393472479 /nfs/dbraw/zinc/47/24/79/393472479.db2.gz FTOXQRVKIIXUHU-MLGOLLRUSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364219 393475524 /nfs/dbraw/zinc/47/55/24/393475524.db2.gz IKGUSJUMEZUOOD-IRXDYDNUSA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364219 393475529 /nfs/dbraw/zinc/47/55/29/393475529.db2.gz IKGUSJUMEZUOOD-IRXDYDNUSA-N 2 2 294.389 3.491 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000488563732 393540066 /nfs/dbraw/zinc/54/00/66/393540066.db2.gz UPKNXJJEMYNNSI-ZTFGCOKTSA-N 2 2 272.436 3.143 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000488563732 393540069 /nfs/dbraw/zinc/54/00/69/393540069.db2.gz UPKNXJJEMYNNSI-ZTFGCOKTSA-N 2 2 272.436 3.143 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000358922172 393529728 /nfs/dbraw/zinc/52/97/28/393529728.db2.gz BOPOSAIRZCKRRX-XJKSGUPXSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000358922172 393529730 /nfs/dbraw/zinc/52/97/30/393529730.db2.gz BOPOSAIRZCKRRX-XJKSGUPXSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@H](CSc1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000649666328 393535626 /nfs/dbraw/zinc/53/56/26/393535626.db2.gz NWLLHKBMAULIFF-CQSZACIVSA-N 2 2 289.448 3.075 20 0 CGADLP C[C@H](CSc1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000649666328 393535629 /nfs/dbraw/zinc/53/56/29/393535629.db2.gz NWLLHKBMAULIFF-CQSZACIVSA-N 2 2 289.448 3.075 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000359963852 393558660 /nfs/dbraw/zinc/55/86/60/393558660.db2.gz NSLCODMNRWPTCS-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP COC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000359963852 393558670 /nfs/dbraw/zinc/55/86/70/393558670.db2.gz NSLCODMNRWPTCS-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000430547889 393573190 /nfs/dbraw/zinc/57/31/90/393573190.db2.gz LGVXWXLXFWBFEA-AWEZNQCLSA-N 2 2 295.477 3.335 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)o2)cc1 ZINC000430557996 393574344 /nfs/dbraw/zinc/57/43/44/393574344.db2.gz PDOOOZDLRNYEJV-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)o2)cc1 ZINC000430557996 393574351 /nfs/dbraw/zinc/57/43/51/393574351.db2.gz PDOOOZDLRNYEJV-HOCLYGCPSA-N 2 2 299.418 3.209 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430576454 393578158 /nfs/dbraw/zinc/57/81/58/393578158.db2.gz XINSSHYOMCNKRS-QWHCGFSZSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430576454 393578160 /nfs/dbraw/zinc/57/81/60/393578160.db2.gz XINSSHYOMCNKRS-QWHCGFSZSA-N 2 2 281.469 3.045 20 0 CGADLP Cc1cc(NC[C@@H](C)C[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000489010878 393570486 /nfs/dbraw/zinc/57/04/86/393570486.db2.gz KAJCKYBVAMTMBU-LLVKDONJSA-N 2 2 275.371 3.292 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000360887060 393607146 /nfs/dbraw/zinc/60/71/46/393607146.db2.gz VERYRQQZIMUPSK-QFBILLFUSA-N 2 2 296.414 3.414 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000360887060 393607148 /nfs/dbraw/zinc/60/71/48/393607148.db2.gz VERYRQQZIMUPSK-QFBILLFUSA-N 2 2 296.414 3.414 20 0 CGADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1(C)CCC1 ZINC000432792259 393640706 /nfs/dbraw/zinc/64/07/06/393640706.db2.gz KBOOIGHCKXFFPA-IRXDYDNUSA-N 2 2 287.451 3.196 20 0 CGADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1(C)CCC1 ZINC000432792259 393640712 /nfs/dbraw/zinc/64/07/12/393640712.db2.gz KBOOIGHCKXFFPA-IRXDYDNUSA-N 2 2 287.451 3.196 20 0 CGADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC1(C)CCC1 ZINC000432792259 393640714 /nfs/dbraw/zinc/64/07/14/393640714.db2.gz KBOOIGHCKXFFPA-IRXDYDNUSA-N 2 2 287.451 3.196 20 0 CGADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC1(C)CCC1 ZINC000432792259 393640718 /nfs/dbraw/zinc/64/07/18/393640718.db2.gz KBOOIGHCKXFFPA-IRXDYDNUSA-N 2 2 287.451 3.196 20 0 CGADLP C[N@H+](CCC1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000432809525 393642792 /nfs/dbraw/zinc/64/27/92/393642792.db2.gz QDGABTCCURLVLZ-UHFFFAOYSA-N 2 2 296.499 3.390 20 0 CGADLP C[N@@H+](CCC1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000432809525 393642795 /nfs/dbraw/zinc/64/27/95/393642795.db2.gz QDGABTCCURLVLZ-UHFFFAOYSA-N 2 2 296.499 3.390 20 0 CGADLP C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422939389 393645436 /nfs/dbraw/zinc/64/54/36/393645436.db2.gz RIDXNSJXANPZKU-FZMZJTMJSA-N 2 2 264.800 3.059 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CCC[NH2+]1 ZINC000423050840 393648902 /nfs/dbraw/zinc/64/89/02/393648902.db2.gz MQXXSRRVPMIRGG-MCIONIFRSA-N 2 2 264.438 3.246 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000423297690 393660165 /nfs/dbraw/zinc/66/01/65/393660165.db2.gz LKBKDFSDSOJZQQ-VXGBXAGGSA-N 2 2 286.366 3.456 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1([NH3+])CCC1)CCCO2 ZINC000423324023 393661422 /nfs/dbraw/zinc/66/14/22/393661422.db2.gz JYYRRODBILTFRP-AWEZNQCLSA-N 2 2 294.826 3.333 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c2sccc21 ZINC000423368601 393664360 /nfs/dbraw/zinc/66/43/60/393664360.db2.gz SBZYHNSTPHDCMX-UVLXDEKHSA-N 2 2 264.438 3.274 20 0 CGADLP c1cn(CCCC2CC[NH+](Cc3cscn3)CC2)c[nH+]1 ZINC000361073574 393666334 /nfs/dbraw/zinc/66/63/34/393666334.db2.gz LGXFPNVBBYWCHQ-UHFFFAOYSA-N 2 2 290.436 3.032 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201732 393748866 /nfs/dbraw/zinc/74/88/66/393748866.db2.gz IONBHYJISHJYIT-LZLYRXPVSA-N 2 2 292.467 3.391 20 0 CGADLP COCC[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443208420 393749687 /nfs/dbraw/zinc/74/96/87/393749687.db2.gz BHWYVGZRYGDGPS-UXLLHSPISA-N 2 2 278.440 3.001 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000666945180 542827598 /nfs/dbraw/zinc/82/75/98/542827598.db2.gz BRKDSKAWZUOVCK-GJZGRUSLSA-N 2 2 290.407 3.205 20 0 CGADLP CCSCC[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443787678 393772289 /nfs/dbraw/zinc/77/22/89/393772289.db2.gz JYBUQAYURYVFPK-GDBMZVCRSA-N 2 2 280.481 3.329 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000498380331 393781934 /nfs/dbraw/zinc/78/19/34/393781934.db2.gz FZRIECRKWRLTNT-DLBZAZTESA-N 2 2 260.425 3.254 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000500377887 393825722 /nfs/dbraw/zinc/82/57/22/393825722.db2.gz QFTKLAUUTZNWDE-NTCAYCPXSA-N 2 2 258.409 3.164 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000449129527 393876000 /nfs/dbraw/zinc/87/60/00/393876000.db2.gz VKXYBBDXVWHNAQ-ZBFHGGJFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000449129527 393876001 /nfs/dbraw/zinc/87/60/01/393876001.db2.gz VKXYBBDXVWHNAQ-ZBFHGGJFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C[N@@H+]1C1CC1 ZINC000449348128 393878656 /nfs/dbraw/zinc/87/86/56/393878656.db2.gz FKWYKINDYWEQRT-SNUQEOBHSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C[N@H+]1C1CC1 ZINC000449348128 393878660 /nfs/dbraw/zinc/87/86/60/393878660.db2.gz FKWYKINDYWEQRT-SNUQEOBHSA-N 2 2 288.410 3.418 20 0 CGADLP Cc1ccc(CCC[NH2+]C(C)(C)CCC[NH+](C)C)c[nH+]1 ZINC000449528951 393884383 /nfs/dbraw/zinc/88/43/83/393884383.db2.gz TYPHURFXMPHHFK-UHFFFAOYSA-N 3 2 277.456 3.033 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1cccc(Br)c1 ZINC000449554531 393899678 /nfs/dbraw/zinc/89/96/78/393899678.db2.gz BYVMIIMFTVVDRI-RYUDHWBXSA-N 2 2 299.256 3.092 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)C)C1 ZINC000503920953 393909039 /nfs/dbraw/zinc/90/90/39/393909039.db2.gz QCMSIEYGJFLMPW-XKQJLSEDSA-N 2 2 278.415 3.453 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2ccc(F)cc2)C(C)C)C1 ZINC000503920953 393909042 /nfs/dbraw/zinc/90/90/42/393909042.db2.gz QCMSIEYGJFLMPW-XKQJLSEDSA-N 2 2 278.415 3.453 20 0 CGADLP CO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636665 393930922 /nfs/dbraw/zinc/93/09/22/393930922.db2.gz WVODISHRPKRKRW-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636665 393930925 /nfs/dbraw/zinc/93/09/25/393930925.db2.gz WVODISHRPKRKRW-SJORKVTESA-N 2 2 288.435 3.212 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640433 394032691 /nfs/dbraw/zinc/03/26/91/394032691.db2.gz MDEZFZPISCLRMM-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640433 394032692 /nfs/dbraw/zinc/03/26/92/394032692.db2.gz MDEZFZPISCLRMM-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640433 394032694 /nfs/dbraw/zinc/03/26/94/394032694.db2.gz MDEZFZPISCLRMM-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000450640433 394032696 /nfs/dbraw/zinc/03/26/96/394032696.db2.gz MDEZFZPISCLRMM-OWCLPIDISA-N 2 2 252.446 3.227 20 0 CGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000453071968 394160927 /nfs/dbraw/zinc/16/09/27/394160927.db2.gz MWIGVPGNBSDSFY-OAHLLOKOSA-N 2 2 292.471 3.208 20 0 CGADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000453071968 394160932 /nfs/dbraw/zinc/16/09/32/394160932.db2.gz MWIGVPGNBSDSFY-OAHLLOKOSA-N 2 2 292.471 3.208 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC1 ZINC000453075962 394162544 /nfs/dbraw/zinc/16/25/44/394162544.db2.gz IZJALQGKYVGMSZ-MRXNPFEDSA-N 2 2 275.440 3.320 20 0 CGADLP C[C@H](C[NH2+]C1CCc2ccccc2CC1)[N@H+](C)C1CC1 ZINC000453102582 394171945 /nfs/dbraw/zinc/17/19/45/394171945.db2.gz QAPFCPQESOLLSB-CQSZACIVSA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H](C[NH2+]C1CCc2ccccc2CC1)[N@@H+](C)C1CC1 ZINC000453102582 394171950 /nfs/dbraw/zinc/17/19/50/394171950.db2.gz QAPFCPQESOLLSB-CQSZACIVSA-N 2 2 272.436 3.006 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCc2ccccc2C1 ZINC000667551568 542887677 /nfs/dbraw/zinc/88/76/77/542887677.db2.gz PKANQNODQFTIKS-SFHVURJKSA-N 2 2 297.446 3.498 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCc2ccccc2C1 ZINC000667551568 542887680 /nfs/dbraw/zinc/88/76/80/542887680.db2.gz PKANQNODQFTIKS-SFHVURJKSA-N 2 2 297.446 3.498 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)n1C ZINC000667654651 542907389 /nfs/dbraw/zinc/90/73/89/542907389.db2.gz HMEIHFSNQSFZRC-SJCJKPOMSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)n1C ZINC000667654651 542907391 /nfs/dbraw/zinc/90/73/91/542907391.db2.gz HMEIHFSNQSFZRC-SJCJKPOMSA-N 2 2 287.382 3.451 20 0 CGADLP CC(C)CC[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688436 542917162 /nfs/dbraw/zinc/91/71/62/542917162.db2.gz RVNUVJPCXCQYOD-CQSZACIVSA-N 2 2 261.413 3.230 20 0 CGADLP CC(C)CC[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688436 542917165 /nfs/dbraw/zinc/91/71/65/542917165.db2.gz RVNUVJPCXCQYOD-CQSZACIVSA-N 2 2 261.413 3.230 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705612 542920846 /nfs/dbraw/zinc/92/08/46/542920846.db2.gz HLXFUWKKQPVSEK-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705612 542920847 /nfs/dbraw/zinc/92/08/47/542920847.db2.gz HLXFUWKKQPVSEK-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705612 542920851 /nfs/dbraw/zinc/92/08/51/542920851.db2.gz HLXFUWKKQPVSEK-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3F)CC[C@H]21 ZINC000667705612 542920854 /nfs/dbraw/zinc/92/08/54/542920854.db2.gz HLXFUWKKQPVSEK-BXUZGUMPSA-N 2 2 298.352 3.020 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860074 542938583 /nfs/dbraw/zinc/93/85/83/542938583.db2.gz GFWKNBJVNHOWIB-UGUYLWEFSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860074 542938586 /nfs/dbraw/zinc/93/85/86/542938586.db2.gz GFWKNBJVNHOWIB-UGUYLWEFSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667995689 542954852 /nfs/dbraw/zinc/95/48/52/542954852.db2.gz SRUDDWOOIKHZQN-INIZCTEOSA-N 2 2 281.403 3.166 20 0 CGADLP CC[C@H]1Cc2ccccc2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667995689 542954853 /nfs/dbraw/zinc/95/48/53/542954853.db2.gz SRUDDWOOIKHZQN-INIZCTEOSA-N 2 2 281.403 3.166 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)Cc1ccsc1 ZINC000668014252 542958983 /nfs/dbraw/zinc/95/89/83/542958983.db2.gz WFIIBCPPYBIMEO-GFCCVEGCSA-N 2 2 277.437 3.243 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)Cc1ccsc1 ZINC000668014252 542958985 /nfs/dbraw/zinc/95/89/85/542958985.db2.gz WFIIBCPPYBIMEO-GFCCVEGCSA-N 2 2 277.437 3.243 20 0 CGADLP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000261952115 292030253 /nfs/dbraw/zinc/03/02/53/292030253.db2.gz NENMRYIYALPEJP-RDTXWAMCSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])on2)cc1 ZINC000261952115 292030256 /nfs/dbraw/zinc/03/02/56/292030256.db2.gz NENMRYIYALPEJP-RDTXWAMCSA-N 2 2 299.418 3.352 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000668190811 542986041 /nfs/dbraw/zinc/98/60/41/542986041.db2.gz OQCVCKZADDFGQZ-MRXNPFEDSA-N 2 2 284.407 3.134 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000668190811 542986047 /nfs/dbraw/zinc/98/60/47/542986047.db2.gz OQCVCKZADDFGQZ-MRXNPFEDSA-N 2 2 284.407 3.134 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc21 ZINC000668172985 542980839 /nfs/dbraw/zinc/98/08/39/542980839.db2.gz YULPCONRDQVFNS-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc21 ZINC000668172985 542980841 /nfs/dbraw/zinc/98/08/41/542980841.db2.gz YULPCONRDQVFNS-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc21 ZINC000668172985 542980843 /nfs/dbraw/zinc/98/08/43/542980843.db2.gz YULPCONRDQVFNS-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc21 ZINC000668172985 542980845 /nfs/dbraw/zinc/98/08/45/542980845.db2.gz YULPCONRDQVFNS-DNVCBOLYSA-N 2 2 297.446 3.392 20 0 CGADLP c1cc(C[NH+]2CC(C3CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668231569 542994773 /nfs/dbraw/zinc/99/47/73/542994773.db2.gz DDQCLEFJNFYBRT-UHFFFAOYSA-N 2 2 296.418 3.279 20 0 CGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@H]1C(C)(C)C ZINC000668241824 542997256 /nfs/dbraw/zinc/99/72/56/542997256.db2.gz PAVCUECKVQUONB-CABCVRRESA-N 2 2 275.440 3.476 20 0 CGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@H]1CCC[C@H]1C(C)(C)C ZINC000668241824 542997258 /nfs/dbraw/zinc/99/72/58/542997258.db2.gz PAVCUECKVQUONB-CABCVRRESA-N 2 2 275.440 3.476 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCCC3(CCCC3)CC2)n1C ZINC000668479320 543018925 /nfs/dbraw/zinc/01/89/25/543018925.db2.gz WSQDUUADDONPNJ-UHFFFAOYSA-N 2 2 261.413 3.275 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cscn2)c[nH+]1 ZINC000668501931 543021868 /nfs/dbraw/zinc/02/18/68/543021868.db2.gz JNEMRVWXIKMGOE-LBPRGKRZSA-N 2 2 261.394 3.130 20 0 CGADLP c1cn2c(cccc2C[NH+]2CCC([C@H]3CCCCO3)CC2)[nH+]1 ZINC000668626849 543037977 /nfs/dbraw/zinc/03/79/77/543037977.db2.gz AHBMHSKEYDEVAX-QGZVFWFLSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262999 543146030 /nfs/dbraw/zinc/14/60/30/543146030.db2.gz RDCFSHDBXIILFK-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C(C)(C)C ZINC000670262999 543146032 /nfs/dbraw/zinc/14/60/32/543146032.db2.gz RDCFSHDBXIILFK-LSDHHAIUSA-N 2 2 252.446 3.229 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000671124391 543160014 /nfs/dbraw/zinc/16/00/14/543160014.db2.gz RUJLXJCAMUPTDY-MRXNPFEDSA-N 2 2 296.499 3.436 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730705 543182602 /nfs/dbraw/zinc/18/26/02/543182602.db2.gz DYKZQUXTIUPAMH-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000671730705 543182603 /nfs/dbraw/zinc/18/26/03/543182603.db2.gz DYKZQUXTIUPAMH-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000672807069 543228232 /nfs/dbraw/zinc/22/82/32/543228232.db2.gz ZLIPPQKLHFRZPJ-JOQOYGCGSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000672807069 543228234 /nfs/dbraw/zinc/22/82/34/543228234.db2.gz ZLIPPQKLHFRZPJ-JOQOYGCGSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000672807070 543228252 /nfs/dbraw/zinc/22/82/52/543228252.db2.gz ZLIPPQKLHFRZPJ-YEWWUXTCSA-N 2 2 298.434 3.032 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000672807070 543228253 /nfs/dbraw/zinc/22/82/53/543228253.db2.gz ZLIPPQKLHFRZPJ-YEWWUXTCSA-N 2 2 298.434 3.032 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674247187 543276626 /nfs/dbraw/zinc/27/66/26/543276626.db2.gz OZZZUMIGIWXYGC-GFCCVEGCSA-N 2 2 296.296 3.138 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044684661 397619396 /nfs/dbraw/zinc/61/93/96/397619396.db2.gz YIFXPZAGBQECAG-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044684661 397619398 /nfs/dbraw/zinc/61/93/98/397619398.db2.gz YIFXPZAGBQECAG-GJZGRUSLSA-N 2 2 258.409 3.191 20 0 CGADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)C1CCCCC1 ZINC000389318723 397691541 /nfs/dbraw/zinc/69/15/41/397691541.db2.gz SHHMOGDEFUZWPK-OAHLLOKOSA-N 2 2 263.429 3.469 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000390763034 397692495 /nfs/dbraw/zinc/69/24/95/397692495.db2.gz CBYCSFHEXWYYMN-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390763034 397692498 /nfs/dbraw/zinc/69/24/98/397692498.db2.gz CBYCSFHEXWYYMN-BPQIPLTHSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C[N@@H+]1C1CC1 ZINC000650760648 397911710 /nfs/dbraw/zinc/91/17/10/397911710.db2.gz JJVDLJVXPZOCMO-PVAVHDDUSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C[N@H+]1C1CC1 ZINC000650760648 397911714 /nfs/dbraw/zinc/91/17/14/397911714.db2.gz JJVDLJVXPZOCMO-PVAVHDDUSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912872 543306813 /nfs/dbraw/zinc/30/68/13/543306813.db2.gz RQGUVGAIDDKLTH-NOZJJQNGSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000674912872 543306814 /nfs/dbraw/zinc/30/68/14/543306814.db2.gz RQGUVGAIDDKLTH-NOZJJQNGSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767317 543362648 /nfs/dbraw/zinc/36/26/48/543362648.db2.gz SJKHJEOBAAAYLS-RYUDHWBXSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767317 543362650 /nfs/dbraw/zinc/36/26/50/543362650.db2.gz SJKHJEOBAAAYLS-RYUDHWBXSA-N 2 2 286.872 3.406 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000675768058 543363226 /nfs/dbraw/zinc/36/32/26/543363226.db2.gz WJNLVXWDPUGHQL-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000675768058 543363227 /nfs/dbraw/zinc/36/32/27/543363227.db2.gz WJNLVXWDPUGHQL-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675768048 543363271 /nfs/dbraw/zinc/36/32/71/543363271.db2.gz WGBPKUSPNKEWEQ-SQNIBIBYSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675768048 543363272 /nfs/dbraw/zinc/36/32/72/543363272.db2.gz WGBPKUSPNKEWEQ-SQNIBIBYSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724391 543358122 /nfs/dbraw/zinc/35/81/22/543358122.db2.gz PPLGKIXXBNHWSV-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724391 543358124 /nfs/dbraw/zinc/35/81/24/543358124.db2.gz PPLGKIXXBNHWSV-SUNKGSAMSA-N 2 2 286.341 3.306 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1Cl ZINC000675731711 543358481 /nfs/dbraw/zinc/35/84/81/543358481.db2.gz PSOFWTIUXUKIMV-GFCCVEGCSA-N 2 2 282.815 3.095 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833800 543368261 /nfs/dbraw/zinc/36/82/61/543368261.db2.gz PDZBFKVBWKQBBD-AUUYWEPGSA-N 2 2 284.447 3.310 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833800 543368264 /nfs/dbraw/zinc/36/82/64/543368264.db2.gz PDZBFKVBWKQBBD-AUUYWEPGSA-N 2 2 284.447 3.310 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834669 543368815 /nfs/dbraw/zinc/36/88/15/543368815.db2.gz XVBLYNUGSKGCNA-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834669 543368817 /nfs/dbraw/zinc/36/88/17/543368817.db2.gz XVBLYNUGSKGCNA-PMACEKPBSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000677240236 543441182 /nfs/dbraw/zinc/44/11/82/543441182.db2.gz DTFKOGYJFDLQKY-HKUYNNGSSA-N 2 2 284.447 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000677240236 543441185 /nfs/dbraw/zinc/44/11/85/543441185.db2.gz DTFKOGYJFDLQKY-HKUYNNGSSA-N 2 2 284.447 3.446 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000344112198 292169173 /nfs/dbraw/zinc/16/91/73/292169173.db2.gz KSLDILSBDYTUFE-JKSUJKDBSA-N 2 2 296.499 3.292 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000678222824 543496047 /nfs/dbraw/zinc/49/60/47/543496047.db2.gz IBSIJRKGIGIVGB-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000678222824 543496049 /nfs/dbraw/zinc/49/60/49/543496049.db2.gz IBSIJRKGIGIVGB-QGZVFWFLSA-N 2 2 283.419 3.197 20 0 CGADLP CC1CCC(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000678235968 543499254 /nfs/dbraw/zinc/49/92/54/543499254.db2.gz RXFJTJVVWYQAGL-GPANFISMSA-N 2 2 261.413 3.346 20 0 CGADLP CC1CCC(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000678235968 543499256 /nfs/dbraw/zinc/49/92/56/543499256.db2.gz RXFJTJVVWYQAGL-GPANFISMSA-N 2 2 261.413 3.346 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)n1 ZINC000678607677 543545104 /nfs/dbraw/zinc/54/51/04/543545104.db2.gz PGXGODJIXRKESV-AWEZNQCLSA-N 2 2 269.392 3.295 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678925732 543572615 /nfs/dbraw/zinc/57/26/15/543572615.db2.gz CGIBDBRJLXNJFM-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678925732 543572617 /nfs/dbraw/zinc/57/26/17/543572617.db2.gz CGIBDBRJLXNJFM-CXAGYDPISA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554049628 289253639 /nfs/dbraw/zinc/25/36/39/289253639.db2.gz URAAGTZCKNPTSY-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554049628 289253640 /nfs/dbraw/zinc/25/36/40/289253640.db2.gz URAAGTZCKNPTSY-RBSFLKMASA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554071667 289255149 /nfs/dbraw/zinc/25/51/49/289255149.db2.gz LBVDUQZNZVEUSA-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000554071667 289255150 /nfs/dbraw/zinc/25/51/50/289255150.db2.gz LBVDUQZNZVEUSA-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417352990 292268074 /nfs/dbraw/zinc/26/80/74/292268074.db2.gz HOKYBALHNYAQGY-SJORKVTESA-N 2 2 272.436 3.315 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423439986 286355379 /nfs/dbraw/zinc/35/53/79/286355379.db2.gz VRCSAVUEPGNKIG-AUUYWEPGSA-N 2 2 296.414 3.233 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000555564347 289349976 /nfs/dbraw/zinc/34/99/76/289349976.db2.gz MNALMPCMAWAZTA-MLGOLLRUSA-N 2 2 278.827 3.221 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000555564347 289349977 /nfs/dbraw/zinc/34/99/77/289349977.db2.gz MNALMPCMAWAZTA-MLGOLLRUSA-N 2 2 278.827 3.221 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000474724143 286371123 /nfs/dbraw/zinc/37/11/23/286371123.db2.gz AVPPWTDSHGWPSJ-FMKPAKJESA-N 2 2 288.435 3.014 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000474724143 286371124 /nfs/dbraw/zinc/37/11/24/286371124.db2.gz AVPPWTDSHGWPSJ-FMKPAKJESA-N 2 2 288.435 3.014 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C12CCCCC2 ZINC000087295217 286489837 /nfs/dbraw/zinc/48/98/37/286489837.db2.gz LJSZLSFUAMWRNS-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423238779 292377917 /nfs/dbraw/zinc/37/79/17/292377917.db2.gz JITGMGYUIYVBME-RHSMWYFYSA-N 2 2 278.440 3.215 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000068635358 286979798 /nfs/dbraw/zinc/97/97/98/286979798.db2.gz FXAHYNACWRIJJQ-UHFFFAOYSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178200183 287047441 /nfs/dbraw/zinc/04/74/41/287047441.db2.gz QLGLLTZAPLNRPZ-CABCVRRESA-N 2 2 299.418 3.338 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835091 165107689 /nfs/dbraw/zinc/10/76/89/165107689.db2.gz BFICUHWGOUSABQ-MRXNPFEDSA-N 2 2 276.399 3.134 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835091 165107694 /nfs/dbraw/zinc/10/76/94/165107694.db2.gz BFICUHWGOUSABQ-MRXNPFEDSA-N 2 2 276.399 3.134 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000079742728 165151024 /nfs/dbraw/zinc/15/10/24/165151024.db2.gz JDODBPBQHSHBNA-RDJZCZTQSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1nc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000080690685 165158457 /nfs/dbraw/zinc/15/84/57/165158457.db2.gz IASUYQIVSYXPGP-AWEZNQCLSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1nc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000080690685 165158463 /nfs/dbraw/zinc/15/84/63/165158463.db2.gz IASUYQIVSYXPGP-AWEZNQCLSA-N 2 2 284.407 3.108 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000081557821 165166255 /nfs/dbraw/zinc/16/62/55/165166255.db2.gz SWEBTIHGOMNNOF-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000081557821 165166256 /nfs/dbraw/zinc/16/62/56/165166256.db2.gz SWEBTIHGOMNNOF-QGZVFWFLSA-N 2 2 281.403 3.467 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085127861 165178165 /nfs/dbraw/zinc/17/81/65/165178165.db2.gz BTRMJVRQMUZKQO-NWDGAFQWSA-N 2 2 266.351 3.039 20 0 CGADLP [NH3+]C[C@H]([NH2+]C1CCCC1)c1ccc2ccccc2c1 ZINC000087911859 165192743 /nfs/dbraw/zinc/19/27/43/165192743.db2.gz FHLKJPSEJPBETP-KRWDZBQOSA-N 2 2 254.377 3.372 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000090003796 165224207 /nfs/dbraw/zinc/22/42/07/165224207.db2.gz AHPKEIZTIWWAGF-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000090003796 165224211 /nfs/dbraw/zinc/22/42/11/165224211.db2.gz AHPKEIZTIWWAGF-CQSZACIVSA-N 2 2 263.429 3.111 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090051018 165225858 /nfs/dbraw/zinc/22/58/58/165225858.db2.gz YAHIBUNXUUJMQW-ZDUSSCGKSA-N 2 2 271.408 3.284 20 0 CGADLP C[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)C[NH+]1CCCC1 ZINC000090803410 165243511 /nfs/dbraw/zinc/24/35/11/165243511.db2.gz BSKXHDIVPAODPU-LLVKDONJSA-N 2 2 287.329 3.244 20 0 CGADLP COCCC[N@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091347395 165262007 /nfs/dbraw/zinc/26/20/07/165262007.db2.gz XLCOKTOTYMOGFT-GOSISDBHSA-N 2 2 290.451 3.004 20 0 CGADLP COCCC[N@@H+](C)CC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091347395 165262009 /nfs/dbraw/zinc/26/20/09/165262009.db2.gz XLCOKTOTYMOGFT-GOSISDBHSA-N 2 2 290.451 3.004 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000091961099 165278262 /nfs/dbraw/zinc/27/82/62/165278262.db2.gz YNCONFKWWCUXIP-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000091961099 165278266 /nfs/dbraw/zinc/27/82/66/165278266.db2.gz YNCONFKWWCUXIP-KDOFPFPSSA-N 2 2 294.402 3.448 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093693824 287118740 /nfs/dbraw/zinc/11/87/40/287118740.db2.gz OXZOAFOLGXLBIR-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC000093693824 287118741 /nfs/dbraw/zinc/11/87/41/287118741.db2.gz OXZOAFOLGXLBIR-INIZCTEOSA-N 2 2 278.415 3.298 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122995824 287214785 /nfs/dbraw/zinc/21/47/85/287214785.db2.gz ZARGGTMGHSVQKG-IJEWVQPXSA-N 2 2 258.409 3.271 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122995824 287214786 /nfs/dbraw/zinc/21/47/86/287214786.db2.gz ZARGGTMGHSVQKG-IJEWVQPXSA-N 2 2 258.409 3.271 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000284461643 196062865 /nfs/dbraw/zinc/06/28/65/196062865.db2.gz TXGSCBAVNZQWMG-DTTOXWODSA-N 2 2 299.418 3.062 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020126802 171010911 /nfs/dbraw/zinc/01/09/11/171010911.db2.gz RDELHRMNKQNYBI-LBPRGKRZSA-N 2 2 297.240 3.196 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)o1 ZINC000020146297 171032457 /nfs/dbraw/zinc/03/24/57/171032457.db2.gz JFYIXIRLZNCPDG-OAHLLOKOSA-N 2 2 264.413 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000037158108 172993491 /nfs/dbraw/zinc/99/34/91/172993491.db2.gz AAOKGYIZMITFBF-DOMZBBRYSA-N 2 2 261.344 3.152 20 0 CGADLP Fc1cccc2c1SCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000037249385 173062178 /nfs/dbraw/zinc/06/21/78/173062178.db2.gz YVDPQINLDBSTFK-CQSZACIVSA-N 2 2 291.395 3.239 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1cccc2ccccc21 ZINC000038088788 174102281 /nfs/dbraw/zinc/10/22/81/174102281.db2.gz IOSYRLAKWURPRJ-UONOGXRCSA-N 2 2 256.393 3.441 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000071142044 176039853 /nfs/dbraw/zinc/03/98/53/176039853.db2.gz UEYKXRAETNUKIM-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000071142044 176039854 /nfs/dbraw/zinc/03/98/54/176039854.db2.gz UEYKXRAETNUKIM-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000071142328 176040378 /nfs/dbraw/zinc/04/03/78/176040378.db2.gz NNERAWAJUGSBSI-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000071142328 176040380 /nfs/dbraw/zinc/04/03/80/176040380.db2.gz NNERAWAJUGSBSI-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071206559 176080287 /nfs/dbraw/zinc/08/02/87/176080287.db2.gz MNIYKMUDRDNRBA-BBRMVZONSA-N 2 2 255.365 3.151 20 0 CGADLP Cn1c(CCC[NH2+]Cc2ccc(F)cc2)[nH+]c2ccccc21 ZINC000076901218 177129347 /nfs/dbraw/zinc/12/93/47/177129347.db2.gz FLJUPNXNPHOVDK-UHFFFAOYSA-N 2 2 297.377 3.435 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1CC[NH3+] ZINC000404453493 416554022 /nfs/dbraw/zinc/55/40/22/416554022.db2.gz ZUAGYIQJVDFAFX-HZMBPMFUSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1CC[NH3+] ZINC000404453493 416554031 /nfs/dbraw/zinc/55/40/31/416554031.db2.gz ZUAGYIQJVDFAFX-HZMBPMFUSA-N 2 2 286.341 3.053 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)[C@H](C)C2 ZINC000679342011 543622777 /nfs/dbraw/zinc/62/27/77/543622777.db2.gz RDSXDLBYEBQKSF-LSBZLQRGSA-N 2 2 284.447 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)[C@H](C)C2 ZINC000679342011 543622779 /nfs/dbraw/zinc/62/27/79/543622779.db2.gz RDSXDLBYEBQKSF-LSBZLQRGSA-N 2 2 284.447 3.302 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000679815754 543661439 /nfs/dbraw/zinc/66/14/39/543661439.db2.gz CXIQBDXNYJCZTM-XLIONFOSSA-N 2 2 298.474 3.352 20 0 CGADLP c1ccc2c(c1)CC[C@@H](C[N@H+]1CCC[C@H]([NH+]3CCCC3)C1)C2 ZINC000679815754 543661441 /nfs/dbraw/zinc/66/14/41/543661441.db2.gz CXIQBDXNYJCZTM-XLIONFOSSA-N 2 2 298.474 3.352 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130448975 287355829 /nfs/dbraw/zinc/35/58/29/287355829.db2.gz FXWPUDHEJJAVHR-JQWIXIFHSA-N 2 2 282.790 3.194 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368906 543705244 /nfs/dbraw/zinc/70/52/44/543705244.db2.gz QWUBKVVFXUOPTH-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000680368906 543705245 /nfs/dbraw/zinc/70/52/45/543705245.db2.gz QWUBKVVFXUOPTH-PKOBYXMFSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000681405957 543786518 /nfs/dbraw/zinc/78/65/18/543786518.db2.gz MUHRJQMRCWERAY-SFHVURJKSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000681405957 543786520 /nfs/dbraw/zinc/78/65/20/543786520.db2.gz MUHRJQMRCWERAY-SFHVURJKSA-N 2 2 274.452 3.472 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681482997 543790272 /nfs/dbraw/zinc/79/02/72/543790272.db2.gz HPJXYDRIDQCZRH-FUHWJXTLSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681482997 543790273 /nfs/dbraw/zinc/79/02/73/543790273.db2.gz HPJXYDRIDQCZRH-FUHWJXTLSA-N 2 2 283.419 3.399 20 0 CGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(O)cc1)[NH+](C)C ZINC000682409572 543843079 /nfs/dbraw/zinc/84/30/79/543843079.db2.gz QNBDJTQRQASRIR-HNAYVOBHSA-N 2 2 298.430 3.482 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000683207308 543904320 /nfs/dbraw/zinc/90/43/20/543904320.db2.gz YLKSVVKZCZVKLB-OAHLLOKOSA-N 2 2 294.389 3.427 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000683207308 543904322 /nfs/dbraw/zinc/90/43/22/543904322.db2.gz YLKSVVKZCZVKLB-OAHLLOKOSA-N 2 2 294.389 3.427 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000683693551 543932414 /nfs/dbraw/zinc/93/24/14/543932414.db2.gz DXSGJNRRAMYONY-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000683693551 543932417 /nfs/dbraw/zinc/93/24/17/543932417.db2.gz DXSGJNRRAMYONY-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000683140579 543898850 /nfs/dbraw/zinc/89/88/50/543898850.db2.gz ANZAQYMWXVYWQN-MRXNPFEDSA-N 2 2 264.388 3.304 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000683140579 543898851 /nfs/dbraw/zinc/89/88/51/543898851.db2.gz ANZAQYMWXVYWQN-MRXNPFEDSA-N 2 2 264.388 3.304 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)c[nH+]1 ZINC000685000775 544050745 /nfs/dbraw/zinc/05/07/45/544050745.db2.gz XIRALQYNCLRCKV-QGZVFWFLSA-N 2 2 291.439 3.117 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)c[nH+]1 ZINC000685000775 544050748 /nfs/dbraw/zinc/05/07/48/544050748.db2.gz XIRALQYNCLRCKV-QGZVFWFLSA-N 2 2 291.439 3.117 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653299406 419025325 /nfs/dbraw/zinc/02/53/25/419025325.db2.gz SCWJWSMVOANAPU-ZWNOBZJWSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653299406 419025327 /nfs/dbraw/zinc/02/53/27/419025327.db2.gz SCWJWSMVOANAPU-ZWNOBZJWSA-N 2 2 291.420 3.023 20 0 CGADLP CC1(C)C[N@H+](CCC[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000664824306 419009888 /nfs/dbraw/zinc/00/98/88/419009888.db2.gz UGGLQXWSHKCDFF-QGZVFWFLSA-N 2 2 287.451 3.341 20 0 CGADLP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000664824306 419009889 /nfs/dbraw/zinc/00/98/89/419009889.db2.gz UGGLQXWSHKCDFF-QGZVFWFLSA-N 2 2 287.451 3.341 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCCC[NH2+]1 ZINC000665237606 419088000 /nfs/dbraw/zinc/08/80/00/419088000.db2.gz FJWPFIQPBFQJJJ-WFASDCNBSA-N 2 2 258.365 3.053 20 0 CGADLP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC000660147496 419088536 /nfs/dbraw/zinc/08/85/36/419088536.db2.gz CQZVGVNLNHTRPU-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1Cl ZINC000660147496 419088540 /nfs/dbraw/zinc/08/85/40/419088540.db2.gz CQZVGVNLNHTRPU-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241768 419088818 /nfs/dbraw/zinc/08/88/18/419088818.db2.gz YLMWDFHQVPIHJM-VBNZEHGJSA-N 2 2 264.388 3.253 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(F)ccc1F ZINC000665248748 419093027 /nfs/dbraw/zinc/09/30/27/419093027.db2.gz BQDUEZQDMHWYCW-CQSZACIVSA-N 2 2 268.351 3.277 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776089 419094309 /nfs/dbraw/zinc/09/43/09/419094309.db2.gz HRCKORZGZRIXSC-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776091 419094610 /nfs/dbraw/zinc/09/46/10/419094610.db2.gz HRCKORZGZRIXSC-GVDBMIGSSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000660226211 419104682 /nfs/dbraw/zinc/10/46/82/419104682.db2.gz VKUHIUCKEMBCSF-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000660226211 419104685 /nfs/dbraw/zinc/10/46/85/419104685.db2.gz VKUHIUCKEMBCSF-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000660226211 419104689 /nfs/dbraw/zinc/10/46/89/419104689.db2.gz VKUHIUCKEMBCSF-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000660226211 419104694 /nfs/dbraw/zinc/10/46/94/419104694.db2.gz VKUHIUCKEMBCSF-SJLPKXTDSA-N 2 2 272.436 3.336 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665295695 419108291 /nfs/dbraw/zinc/10/82/91/419108291.db2.gz HUBDTBNZVFBQMY-NEPJUHHUSA-N 2 2 252.427 3.057 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000665296480 419108635 /nfs/dbraw/zinc/10/86/35/419108635.db2.gz SZYFBPYRMPJJNI-QPUJVOFHSA-N 2 2 273.207 3.178 20 0 CGADLP CCOc1ccc([C@@H](CC)[NH2+][C@H](C)C[NH2+]C)cc1OCC ZINC000665296106 419109209 /nfs/dbraw/zinc/10/92/09/419109209.db2.gz MUYBEVUNVFQYCM-UKRRQHHQSA-N 2 2 294.439 3.133 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000665295829 419109614 /nfs/dbraw/zinc/10/96/14/419109614.db2.gz JXYBRZBKJBXCMB-RISCZKNCSA-N 2 2 282.815 3.060 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000665295455 419109716 /nfs/dbraw/zinc/10/97/16/419109716.db2.gz DPXCAYLOLIBPQP-QWHCGFSZSA-N 2 2 258.365 3.205 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000665298697 419110148 /nfs/dbraw/zinc/11/01/48/419110148.db2.gz ZWKMKIPEXQYBDZ-NWDGAFQWSA-N 2 2 284.831 3.386 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000665296652 419110823 /nfs/dbraw/zinc/11/08/23/419110823.db2.gz VXQFMUQUUPINBD-STQMWFEESA-N 2 2 266.454 3.446 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655848246 419119266 /nfs/dbraw/zinc/11/92/66/419119266.db2.gz CDQICLVGSUEPLT-NEXFUWMNSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655848246 419119269 /nfs/dbraw/zinc/11/92/69/419119269.db2.gz CDQICLVGSUEPLT-NEXFUWMNSA-N 2 2 286.410 3.417 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000655855828 419122942 /nfs/dbraw/zinc/12/29/42/419122942.db2.gz JDAFEPLAUDXRIK-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2[nH]1 ZINC000655855828 419122945 /nfs/dbraw/zinc/12/29/45/419122945.db2.gz JDAFEPLAUDXRIK-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1Cl ZINC000659983346 419053159 /nfs/dbraw/zinc/05/31/59/419053159.db2.gz JXDYGWDBNASVHA-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1Cl ZINC000659983346 419053163 /nfs/dbraw/zinc/05/31/63/419053163.db2.gz JXDYGWDBNASVHA-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000659983346 419053168 /nfs/dbraw/zinc/05/31/68/419053168.db2.gz JXDYGWDBNASVHA-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1Cl ZINC000659983346 419053169 /nfs/dbraw/zinc/05/31/69/419053169.db2.gz JXDYGWDBNASVHA-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP c1cn(Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)c[nH+]1 ZINC000151315107 287511412 /nfs/dbraw/zinc/51/14/12/287511412.db2.gz MOYKTPCKQCVLNW-UHFFFAOYSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064098 419069716 /nfs/dbraw/zinc/06/97/16/419069716.db2.gz DSBDSNZQGOZYFI-UCIFAOBLSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064098 419069719 /nfs/dbraw/zinc/06/97/19/419069719.db2.gz DSBDSNZQGOZYFI-UCIFAOBLSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064098 419069721 /nfs/dbraw/zinc/06/97/21/419069721.db2.gz DSBDSNZQGOZYFI-UCIFAOBLSA-N 2 2 276.468 3.370 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660064098 419069725 /nfs/dbraw/zinc/06/97/25/419069725.db2.gz DSBDSNZQGOZYFI-UCIFAOBLSA-N 2 2 276.468 3.370 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655717038 419075284 /nfs/dbraw/zinc/07/52/84/419075284.db2.gz SYMDAOGRSPRLRZ-DOTOQJQBSA-N 2 2 270.420 3.117 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655717038 419075287 /nfs/dbraw/zinc/07/52/87/419075287.db2.gz SYMDAOGRSPRLRZ-DOTOQJQBSA-N 2 2 270.420 3.117 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CC[C@H](C)SC3)[nH+]c12 ZINC000655719912 419077896 /nfs/dbraw/zinc/07/78/96/419077896.db2.gz WXJJDQAQQCYUSP-ZFWWWQNUSA-N 2 2 289.448 3.059 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660434059 419143852 /nfs/dbraw/zinc/14/38/52/419143852.db2.gz DRRSYIORSPRTPK-TZMCWYRMSA-N 2 2 284.350 3.216 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660434059 419143855 /nfs/dbraw/zinc/14/38/55/419143855.db2.gz DRRSYIORSPRTPK-TZMCWYRMSA-N 2 2 284.350 3.216 20 0 CGADLP C1=CCC(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660478288 419150736 /nfs/dbraw/zinc/15/07/36/419150736.db2.gz AVTLJHSRCCYNNE-INIZCTEOSA-N 2 2 285.435 3.365 20 0 CGADLP C1=CCC(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000660478288 419150739 /nfs/dbraw/zinc/15/07/39/419150739.db2.gz AVTLJHSRCCYNNE-INIZCTEOSA-N 2 2 285.435 3.365 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c[nH+]1 ZINC000656267997 419160452 /nfs/dbraw/zinc/16/04/52/419160452.db2.gz QSINPKLGGHQHHL-ZWKOTPCHSA-N 2 2 288.435 3.260 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1Cl)C2 ZINC000660653374 419177266 /nfs/dbraw/zinc/17/72/66/419177266.db2.gz QOESIYZAHSHZSQ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1Cl)C2 ZINC000660653374 419177268 /nfs/dbraw/zinc/17/72/68/419177268.db2.gz QOESIYZAHSHZSQ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000660653374 419177270 /nfs/dbraw/zinc/17/72/70/419177270.db2.gz QOESIYZAHSHZSQ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000660653374 419177271 /nfs/dbraw/zinc/17/72/71/419177271.db2.gz QOESIYZAHSHZSQ-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657294224 419244396 /nfs/dbraw/zinc/24/43/96/419244396.db2.gz IUCDSSUQIJMNRG-UHFFFAOYSA-N 2 2 286.341 3.068 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CC1(c3ccccc3)CCC1)CCC2 ZINC000657301526 419246661 /nfs/dbraw/zinc/24/66/61/419246661.db2.gz GSDKVFLJNJIYIR-UHFFFAOYSA-N 2 2 281.403 3.041 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1F ZINC000657319219 419249359 /nfs/dbraw/zinc/24/93/59/419249359.db2.gz VOESZAYLJCKHEZ-UHFFFAOYSA-N 2 2 298.352 3.068 20 0 CGADLP CC(C)n1cc[nH+]c1CNc1ccc(C[NH+](C)C)cc1 ZINC000657319911 419249859 /nfs/dbraw/zinc/24/98/59/419249859.db2.gz JTINPPDQYUQZIL-UHFFFAOYSA-N 2 2 272.396 3.138 20 0 CGADLP CC(C)(CC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657329008 419251596 /nfs/dbraw/zinc/25/15/96/419251596.db2.gz GWTVXLHDKNXBEZ-UHFFFAOYSA-N 2 2 283.419 3.287 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000657333810 419252376 /nfs/dbraw/zinc/25/23/76/419252376.db2.gz AAFIFRAODUQPMK-CQSZACIVSA-N 2 2 287.407 3.016 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657334116 419253078 /nfs/dbraw/zinc/25/30/78/419253078.db2.gz MSARGFUZLPRMLK-OAHLLOKOSA-N 2 2 287.794 3.260 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657336680 419254208 /nfs/dbraw/zinc/25/42/08/419254208.db2.gz XOUDFYIECHBFKN-OAHLLOKOSA-N 2 2 255.365 3.070 20 0 CGADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657353592 419257290 /nfs/dbraw/zinc/25/72/90/419257290.db2.gz JWQQUNNNDQULQR-AWEZNQCLSA-N 2 2 269.392 3.297 20 0 CGADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360277 419259325 /nfs/dbraw/zinc/25/93/25/419259325.db2.gz AQVDQLCLWCLBCJ-VNQPRFMTSA-N 2 2 275.440 3.380 20 0 CGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1F ZINC000657368067 419261255 /nfs/dbraw/zinc/26/12/55/419261255.db2.gz MWDCWQUUHCIEMG-OAHLLOKOSA-N 2 2 291.345 3.348 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](CC2CC2)c2ccccc2)n1C ZINC000657376834 419264242 /nfs/dbraw/zinc/26/42/42/419264242.db2.gz ORAQEMOWTHIYBP-QGZVFWFLSA-N 2 2 269.392 3.360 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388648 419266921 /nfs/dbraw/zinc/26/69/21/419266921.db2.gz MPYZQHCUCMZEDH-KZULUSFZSA-N 2 2 299.393 3.382 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000656677534 419198146 /nfs/dbraw/zinc/19/81/46/419198146.db2.gz ULKOUJMLBGSFCL-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000656677534 419198149 /nfs/dbraw/zinc/19/81/49/419198149.db2.gz ULKOUJMLBGSFCL-WBMJQRKESA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000656677531 419198404 /nfs/dbraw/zinc/19/84/04/419198404.db2.gz ULKOUJMLBGSFCL-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000656677531 419198405 /nfs/dbraw/zinc/19/84/05/419198405.db2.gz ULKOUJMLBGSFCL-BLLLJJGKSA-N 2 2 276.399 3.275 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000660826993 419202373 /nfs/dbraw/zinc/20/23/73/419202373.db2.gz VWNWNNKFHIDLCH-ZDUSSCGKSA-N 2 2 276.415 3.474 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000660826993 419202375 /nfs/dbraw/zinc/20/23/75/419202375.db2.gz VWNWNNKFHIDLCH-ZDUSSCGKSA-N 2 2 276.415 3.474 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(C)c1OC(F)F ZINC000656782318 419217954 /nfs/dbraw/zinc/21/79/54/419217954.db2.gz FCIKLECTEJEEKZ-UHFFFAOYSA-N 2 2 286.366 3.074 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(C)c1OC(F)F ZINC000656782318 419217957 /nfs/dbraw/zinc/21/79/57/419217957.db2.gz FCIKLECTEJEEKZ-UHFFFAOYSA-N 2 2 286.366 3.074 20 0 CGADLP FC(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657438169 419278967 /nfs/dbraw/zinc/27/89/67/419278967.db2.gz VQVTYDFXCSFZDW-UHFFFAOYSA-N 2 2 277.318 3.057 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000657470901 419285982 /nfs/dbraw/zinc/28/59/82/419285982.db2.gz WDNGCOPWKJPGOP-OAHLLOKOSA-N 2 2 299.418 3.154 20 0 CGADLP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000657470901 419285984 /nfs/dbraw/zinc/28/59/84/419285984.db2.gz WDNGCOPWKJPGOP-OAHLLOKOSA-N 2 2 299.418 3.154 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000661762259 419296436 /nfs/dbraw/zinc/29/64/36/419296436.db2.gz NVYVFGBBTJLHIM-QGZVFWFLSA-N 2 2 269.392 3.459 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000657525497 419297511 /nfs/dbraw/zinc/29/75/11/419297511.db2.gz XMDSRCHFCSXDGD-AWEZNQCLSA-N 2 2 266.816 3.302 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000657525497 419297514 /nfs/dbraw/zinc/29/75/14/419297514.db2.gz XMDSRCHFCSXDGD-AWEZNQCLSA-N 2 2 266.816 3.302 20 0 CGADLP Cc1[nH]c(CNc2[nH+]ccc(C)c2C2CC2)[nH+]c1C ZINC000657612230 419313615 /nfs/dbraw/zinc/31/36/15/419313615.db2.gz JEQYNMLOKKCLMF-UHFFFAOYSA-N 2 2 256.353 3.219 20 0 CGADLP C[C@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000367221257 228092481 /nfs/dbraw/zinc/09/24/81/228092481.db2.gz GVQPXYHPCGNBFK-QWHCGFSZSA-N 2 2 289.345 3.499 20 0 CGADLP C[C@H]1CC[N@@H+](CCCCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000367221257 228092484 /nfs/dbraw/zinc/09/24/84/228092484.db2.gz GVQPXYHPCGNBFK-QWHCGFSZSA-N 2 2 289.345 3.499 20 0 CGADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2CC2CCC2)c[nH+]1 ZINC000662155998 419346216 /nfs/dbraw/zinc/34/62/16/419346216.db2.gz JRONWXHFDUNVKS-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP c1cn(CCC[N@H+]2CCCC[C@@H]2CC2CCC2)c[nH+]1 ZINC000662155998 419346219 /nfs/dbraw/zinc/34/62/19/419346219.db2.gz JRONWXHFDUNVKS-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc2ccncc2s1 ZINC000657817416 419367469 /nfs/dbraw/zinc/36/74/69/419367469.db2.gz OEHVQCSQPRCAHO-GFCCVEGCSA-N 2 2 286.404 3.234 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)C(F)F ZINC000657835763 419378637 /nfs/dbraw/zinc/37/86/37/419378637.db2.gz YKOODSGNFPXNRD-LLVKDONJSA-N 2 2 281.350 3.146 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000657837831 419381082 /nfs/dbraw/zinc/38/10/82/419381082.db2.gz KHQNKFCZECMDHK-CORIIIEPSA-N 2 2 295.377 3.297 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000657837831 419381088 /nfs/dbraw/zinc/38/10/88/419381088.db2.gz KHQNKFCZECMDHK-CORIIIEPSA-N 2 2 295.377 3.297 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000658012713 419492562 /nfs/dbraw/zinc/49/25/62/419492562.db2.gz DFTCPMGRDHMHKU-SWLSCSKDSA-N 2 2 268.832 3.201 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C(C)(C)C(F)F)cn21 ZINC000658042676 419518583 /nfs/dbraw/zinc/51/85/83/419518583.db2.gz HTWKRAHRSKCXAG-LBPRGKRZSA-N 2 2 295.377 3.455 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCCSCC3)cn21 ZINC000658043938 419519560 /nfs/dbraw/zinc/51/95/60/419519560.db2.gz SMDAZZAWLZKFGY-AWEZNQCLSA-N 2 2 289.448 3.061 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000658058481 419526419 /nfs/dbraw/zinc/52/64/19/419526419.db2.gz DMPNJZWUJGXRPL-GXTWGEPZSA-N 2 2 262.397 3.119 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000658058481 419526427 /nfs/dbraw/zinc/52/64/27/419526427.db2.gz DMPNJZWUJGXRPL-GXTWGEPZSA-N 2 2 262.397 3.119 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658060468 419531782 /nfs/dbraw/zinc/53/17/82/419531782.db2.gz ZRSZRVOETPBDBD-JSGCOSHPSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658060468 419531785 /nfs/dbraw/zinc/53/17/85/419531785.db2.gz ZRSZRVOETPBDBD-JSGCOSHPSA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658063007 419535245 /nfs/dbraw/zinc/53/52/45/419535245.db2.gz UUKOVUYIASGEBS-WMLDXEAASA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658063007 419535253 /nfs/dbraw/zinc/53/52/53/419535253.db2.gz UUKOVUYIASGEBS-WMLDXEAASA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658062005 419537376 /nfs/dbraw/zinc/53/73/76/419537376.db2.gz QSTFXEPHSAAOCO-IAGOWNOFSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658062005 419537384 /nfs/dbraw/zinc/53/73/84/419537384.db2.gz QSTFXEPHSAAOCO-IAGOWNOFSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000658094754 419568393 /nfs/dbraw/zinc/56/83/93/419568393.db2.gz AMFYSQSHWYIRGB-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000658094754 419568396 /nfs/dbraw/zinc/56/83/96/419568396.db2.gz AMFYSQSHWYIRGB-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090149 419559569 /nfs/dbraw/zinc/55/95/69/419559569.db2.gz DZBLQFQMAZJSKL-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090149 419559579 /nfs/dbraw/zinc/55/95/79/419559579.db2.gz DZBLQFQMAZJSKL-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1CCc2ccccc21 ZINC000663502163 419637198 /nfs/dbraw/zinc/63/71/98/419637198.db2.gz CVUQFHXHUOZKRJ-OAHLLOKOSA-N 2 2 260.425 3.036 20 0 CGADLP C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1CCc2ccccc21 ZINC000663502163 419637201 /nfs/dbraw/zinc/63/72/01/419637201.db2.gz CVUQFHXHUOZKRJ-OAHLLOKOSA-N 2 2 260.425 3.036 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000658096223 419572187 /nfs/dbraw/zinc/57/21/87/419572187.db2.gz OWWXLMUKWNWUSH-ILXRZTDVSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000658096223 419572193 /nfs/dbraw/zinc/57/21/93/419572193.db2.gz OWWXLMUKWNWUSH-ILXRZTDVSA-N 2 2 270.436 3.367 20 0 CGADLP CC[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663354315 419573041 /nfs/dbraw/zinc/57/30/41/419573041.db2.gz OUWFUURKYRLRTH-UHFFFAOYSA-N 2 2 287.329 3.305 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc2c(N)cccc21 ZINC000663657667 419665712 /nfs/dbraw/zinc/66/57/12/419665712.db2.gz JRLIZFWINYTLOS-UHFFFAOYSA-N 2 2 295.390 3.214 20 0 CGADLP CCOC1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000658240164 419697468 /nfs/dbraw/zinc/69/74/68/419697468.db2.gz QSMWFCBTOJHRHH-KLAILNCOSA-N 2 2 282.472 3.044 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000663548263 419649120 /nfs/dbraw/zinc/64/91/20/419649120.db2.gz NZDRMWMYMPPVGK-GFCCVEGCSA-N 2 2 287.329 3.161 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448950 260102403 /nfs/dbraw/zinc/10/24/03/260102403.db2.gz YUSWRPCCKSQZGO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448950 260102406 /nfs/dbraw/zinc/10/24/06/260102406.db2.gz YUSWRPCCKSQZGO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448950 260102400 /nfs/dbraw/zinc/10/24/00/260102400.db2.gz YUSWRPCCKSQZGO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448950 260102402 /nfs/dbraw/zinc/10/24/02/260102402.db2.gz YUSWRPCCKSQZGO-HNNXBMFYSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1C ZINC000390574519 262222111 /nfs/dbraw/zinc/22/21/11/262222111.db2.gz CNULZMFURNWJLO-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1C ZINC000390574519 262222114 /nfs/dbraw/zinc/22/21/14/262222114.db2.gz CNULZMFURNWJLO-LMSBXDPUSA-N 2 2 272.436 3.285 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221830470 262301242 /nfs/dbraw/zinc/30/12/42/262301242.db2.gz ASOVYEWNSIEREN-RBSFLKMASA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221830470 262301244 /nfs/dbraw/zinc/30/12/44/262301244.db2.gz ASOVYEWNSIEREN-RBSFLKMASA-N 2 2 288.435 3.279 20 0 CGADLP COCC1(C)CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000348129478 265143165 /nfs/dbraw/zinc/14/31/65/265143165.db2.gz GPZKZRKYVBDQKM-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175600 265350987 /nfs/dbraw/zinc/35/09/87/265350987.db2.gz QQMXOHHDMQKNKR-WDEREUQCSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000519175600 265350989 /nfs/dbraw/zinc/35/09/89/265350989.db2.gz QQMXOHHDMQKNKR-WDEREUQCSA-N 2 2 293.461 3.183 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[N@H+](C)C1CC1 ZINC000223239415 270086569 /nfs/dbraw/zinc/08/65/69/270086569.db2.gz PGGKRUYQZACJJX-BPLDGKMQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[N@@H+](C)C1CC1 ZINC000223239415 270086570 /nfs/dbraw/zinc/08/65/70/270086570.db2.gz PGGKRUYQZACJJX-BPLDGKMQSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000224606420 270086830 /nfs/dbraw/zinc/08/68/30/270086830.db2.gz MDDHABDEOLYOSC-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000224606420 270086831 /nfs/dbraw/zinc/08/68/31/270086831.db2.gz MDDHABDEOLYOSC-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977516 270121492 /nfs/dbraw/zinc/12/14/92/270121492.db2.gz PFQROWIMLGVNBB-GJZGRUSLSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(F)CC2)C1 ZINC000525977516 270121493 /nfs/dbraw/zinc/12/14/93/270121493.db2.gz PFQROWIMLGVNBB-GJZGRUSLSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000525977516 270121494 /nfs/dbraw/zinc/12/14/94/270121494.db2.gz PFQROWIMLGVNBB-GJZGRUSLSA-N 2 2 268.420 3.075 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000525977516 270121495 /nfs/dbraw/zinc/12/14/95/270121495.db2.gz PFQROWIMLGVNBB-GJZGRUSLSA-N 2 2 268.420 3.075 20 0 CGADLP Cc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000527690045 270131791 /nfs/dbraw/zinc/13/17/91/270131791.db2.gz BHEKPXSTIAJOJL-CRAIPNDOSA-N 2 2 283.419 3.171 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000527690048 270131902 /nfs/dbraw/zinc/13/19/02/270131902.db2.gz BHEKPXSTIAJOJL-MAUKXSAKSA-N 2 2 283.419 3.171 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000527805762 270137253 /nfs/dbraw/zinc/13/72/53/270137253.db2.gz HVBWLJKATGPFNN-MJGOQNOKSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC000527805762 270137254 /nfs/dbraw/zinc/13/72/54/270137254.db2.gz HVBWLJKATGPFNN-MJGOQNOKSA-N 2 2 284.447 3.150 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527868808 270140973 /nfs/dbraw/zinc/14/09/73/270140973.db2.gz LQUXYCOYOWEPHI-ATLSCFEFSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527868808 270140974 /nfs/dbraw/zinc/14/09/74/270140974.db2.gz LQUXYCOYOWEPHI-ATLSCFEFSA-N 2 2 284.447 3.428 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527812306 270138128 /nfs/dbraw/zinc/13/81/28/270138128.db2.gz ZPQMVNZBVKVHFF-AWEZNQCLSA-N 2 2 278.465 3.417 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC000527812306 270138129 /nfs/dbraw/zinc/13/81/29/270138129.db2.gz ZPQMVNZBVKVHFF-AWEZNQCLSA-N 2 2 278.465 3.417 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000527846412 270139460 /nfs/dbraw/zinc/13/94/60/270139460.db2.gz DXVKADOPYSBSDA-CBBWQLFWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@H+]1CCCC[C@H]1C ZINC000527846412 270139461 /nfs/dbraw/zinc/13/94/61/270139461.db2.gz DXVKADOPYSBSDA-CBBWQLFWSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000527848723 270139474 /nfs/dbraw/zinc/13/94/74/270139474.db2.gz SNDBIEMEEGRXAV-MRXNPFEDSA-N 2 2 257.381 3.241 20 0 CGADLP CC(C)c1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000527850670 270139684 /nfs/dbraw/zinc/13/96/84/270139684.db2.gz XZPUHXXWNFNMNZ-AWEZNQCLSA-N 2 2 257.381 3.357 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952461 270146408 /nfs/dbraw/zinc/14/64/08/270146408.db2.gz TWAZCVIWVADOLJ-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952461 270146409 /nfs/dbraw/zinc/14/64/09/270146409.db2.gz TWAZCVIWVADOLJ-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951954 270146459 /nfs/dbraw/zinc/14/64/59/270146459.db2.gz RYTHXNNTYAQBLF-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951954 270146460 /nfs/dbraw/zinc/14/64/60/270146460.db2.gz RYTHXNNTYAQBLF-HUUCEWRRSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991560 270149182 /nfs/dbraw/zinc/14/91/82/270149182.db2.gz VPEBGHUEEDWIIV-MZPVMMEZSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527991560 270149183 /nfs/dbraw/zinc/14/91/83/270149183.db2.gz VPEBGHUEEDWIIV-MZPVMMEZSA-N 2 2 290.838 3.400 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527999151 270149673 /nfs/dbraw/zinc/14/96/73/270149673.db2.gz FNSYSZSQEAPGEE-GOEBONIOSA-N 2 2 274.408 3.264 20 0 CGADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527999151 270149674 /nfs/dbraw/zinc/14/96/74/270149674.db2.gz FNSYSZSQEAPGEE-GOEBONIOSA-N 2 2 274.408 3.264 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528010288 270151197 /nfs/dbraw/zinc/15/11/97/270151197.db2.gz JPLDKDGYMVMWBM-RHSMWYFYSA-N 2 2 288.435 3.363 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528010288 270151198 /nfs/dbraw/zinc/15/11/98/270151198.db2.gz JPLDKDGYMVMWBM-RHSMWYFYSA-N 2 2 288.435 3.363 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528007015 270150838 /nfs/dbraw/zinc/15/08/38/270150838.db2.gz AUUGIIDUWQMPTC-BBWFWOEESA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528007015 270150839 /nfs/dbraw/zinc/15/08/39/270150839.db2.gz AUUGIIDUWQMPTC-BBWFWOEESA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529535027 270183076 /nfs/dbraw/zinc/18/30/76/270183076.db2.gz YDCTWMLLWPUWGK-LBPRGKRZSA-N 2 2 291.345 3.396 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1n1cc[nH+]c1 ZINC000529534473 270183244 /nfs/dbraw/zinc/18/32/44/270183244.db2.gz CROUWAMPDSSBBB-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1n1cc[nH+]c1 ZINC000529534473 270183245 /nfs/dbraw/zinc/18/32/45/270183245.db2.gz CROUWAMPDSSBBB-RDTXWAMCSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536734 270183282 /nfs/dbraw/zinc/18/32/82/270183282.db2.gz PVCQVVNTFWXGFY-CJNGLKHVSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536734 270183283 /nfs/dbraw/zinc/18/32/83/270183283.db2.gz PVCQVVNTFWXGFY-CJNGLKHVSA-N 2 2 294.389 3.284 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529643222 270186855 /nfs/dbraw/zinc/18/68/55/270186855.db2.gz XJYHMMVSBQLKHO-RDJZCZTQSA-N 2 2 262.441 3.482 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529643222 270186856 /nfs/dbraw/zinc/18/68/56/270186856.db2.gz XJYHMMVSBQLKHO-RDJZCZTQSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1nccc2ccccc21 ZINC000530215497 270195709 /nfs/dbraw/zinc/19/57/09/270195709.db2.gz GQSPFIKBAUHXSO-XJKSGUPXSA-N 2 2 281.403 3.170 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(C)c1 ZINC000530215960 270195772 /nfs/dbraw/zinc/19/57/72/270195772.db2.gz LAGSKSICHLYYCK-HZPDHXFCSA-N 2 2 258.409 3.320 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530216066 270195866 /nfs/dbraw/zinc/19/58/66/270195866.db2.gz MFDFEGRUILDHGJ-STQMWFEESA-N 2 2 250.411 3.073 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530216903 270195928 /nfs/dbraw/zinc/19/59/28/270195928.db2.gz QTPKGLGPFGHLOR-WQVCFCJDSA-N 2 2 256.393 3.109 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530217797 270195983 /nfs/dbraw/zinc/19/59/83/270195983.db2.gz HXJWLBUBJUMUHP-RISCZKNCSA-N 2 2 296.361 3.223 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Cl)c1 ZINC000530219650 270196107 /nfs/dbraw/zinc/19/61/07/270196107.db2.gz MIECCFZGBXMWRK-SMDDNHRTSA-N 2 2 264.800 3.275 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530218232 270196330 /nfs/dbraw/zinc/19/63/30/270196330.db2.gz IIADIZSTKPNBDF-HZPDHXFCSA-N 2 2 270.420 3.283 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530220985 270196402 /nfs/dbraw/zinc/19/64/02/270196402.db2.gz VITCFBUOBKBERX-JKSUJKDBSA-N 2 2 258.409 3.402 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2c(c1)CCC2 ZINC000530221224 270196569 /nfs/dbraw/zinc/19/65/69/270196569.db2.gz OXHHTDJVLWRWPH-GUYCJALGSA-N 2 2 270.420 3.111 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1 ZINC000530225921 270196716 /nfs/dbraw/zinc/19/67/16/270196716.db2.gz XZNBMBDGVHUFLC-JKSUJKDBSA-N 2 2 258.409 3.320 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530243380 270197253 /nfs/dbraw/zinc/19/72/53/270197253.db2.gz HRURIACROVRLNL-CQSZACIVSA-N 2 2 264.800 3.023 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530243852 270197374 /nfs/dbraw/zinc/19/73/74/270197374.db2.gz HYMNUHCUIWDVLZ-CQSZACIVSA-N 2 2 298.352 3.388 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1 ZINC000531692818 270208807 /nfs/dbraw/zinc/20/88/07/270208807.db2.gz ILVNHNXSVOGNIT-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000531936920 270210841 /nfs/dbraw/zinc/21/08/41/270210841.db2.gz SMWGIRFPPAOJHQ-OLZOCXBDSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000531936920 270210842 /nfs/dbraw/zinc/21/08/42/270210842.db2.gz SMWGIRFPPAOJHQ-OLZOCXBDSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000531939958 270210961 /nfs/dbraw/zinc/21/09/61/270210961.db2.gz BWYIVZLQYIYUMZ-NWDGAFQWSA-N 2 2 293.798 3.284 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000531965584 270211795 /nfs/dbraw/zinc/21/17/95/270211795.db2.gz MXOMORVIIWJWNC-LSDHHAIUSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507293 270216418 /nfs/dbraw/zinc/21/64/18/270216418.db2.gz OGVORVVQAUNYMR-RDJZCZTQSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000532507293 270216419 /nfs/dbraw/zinc/21/64/19/270216419.db2.gz OGVORVVQAUNYMR-RDJZCZTQSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532153 270217069 /nfs/dbraw/zinc/21/70/69/270217069.db2.gz FWRDVJTYVRDRII-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000532532153 270217070 /nfs/dbraw/zinc/21/70/70/270217070.db2.gz FWRDVJTYVRDRII-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000532675676 270218263 /nfs/dbraw/zinc/21/82/63/270218263.db2.gz WGIWUJOQYBFYHX-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000532675676 270218264 /nfs/dbraw/zinc/21/82/64/270218264.db2.gz WGIWUJOQYBFYHX-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000423238306 273563897 /nfs/dbraw/zinc/56/38/97/273563897.db2.gz JBLFSHCZULIENT-UWWPHRKUSA-N 2 2 260.425 3.444 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423395515 273579990 /nfs/dbraw/zinc/57/99/90/273579990.db2.gz SUXSRUUAVUEMBQ-SJORKVTESA-N 2 2 288.435 3.137 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672522 274338776 /nfs/dbraw/zinc/33/87/76/274338776.db2.gz UDDYYWKOBOLFCV-UIBBOPPKSA-N 2 2 278.827 3.126 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475672522 274338781 /nfs/dbraw/zinc/33/87/81/274338781.db2.gz UDDYYWKOBOLFCV-UIBBOPPKSA-N 2 2 278.827 3.126 20 0 CGADLP CC(C)C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301899496 275570850 /nfs/dbraw/zinc/57/08/50/275570850.db2.gz XZWFSLYLQIQCFM-UHFFFAOYSA-N 2 2 272.396 3.095 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000423238304 275749716 /nfs/dbraw/zinc/74/97/16/275749716.db2.gz JBLFSHCZULIENT-NSNWQYSKSA-N 2 2 260.425 3.444 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289631959 276151886 /nfs/dbraw/zinc/15/18/86/276151886.db2.gz HHNMRLFCNNDHMZ-CQSZACIVSA-N 2 2 283.419 3.370 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000247042076 276175178 /nfs/dbraw/zinc/17/51/78/276175178.db2.gz WGSVVGLTKNBNCA-RWMBFGLXSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000247042076 276175179 /nfs/dbraw/zinc/17/51/79/276175179.db2.gz WGSVVGLTKNBNCA-RWMBFGLXSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344025003 276179116 /nfs/dbraw/zinc/17/91/16/276179116.db2.gz RKDLLTKVCAOEMV-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344025003 276179117 /nfs/dbraw/zinc/17/91/17/276179117.db2.gz RKDLLTKVCAOEMV-RDJZCZTQSA-N 2 2 276.399 3.277 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310096 276184926 /nfs/dbraw/zinc/18/49/26/276184926.db2.gz XITBUNKBFCMLOT-GOEBONIOSA-N 2 2 261.413 3.197 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000356310096 276184929 /nfs/dbraw/zinc/18/49/29/276184929.db2.gz XITBUNKBFCMLOT-GOEBONIOSA-N 2 2 261.413 3.197 20 0 CGADLP CC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434787920 276191278 /nfs/dbraw/zinc/19/12/78/276191278.db2.gz VMLUKBRIQFZATG-ZBCRRDGASA-N 2 2 250.430 3.172 20 0 CGADLP CC1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434787920 276191279 /nfs/dbraw/zinc/19/12/79/276191279.db2.gz VMLUKBRIQFZATG-ZBCRRDGASA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000352604863 276252033 /nfs/dbraw/zinc/25/20/33/276252033.db2.gz DAEOKAHOIJERPP-BMGDILEWSA-N 2 2 272.436 3.302 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000352604863 276252034 /nfs/dbraw/zinc/25/20/34/276252034.db2.gz DAEOKAHOIJERPP-BMGDILEWSA-N 2 2 272.436 3.302 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423246591 276266896 /nfs/dbraw/zinc/26/68/96/276266896.db2.gz OASXZDGDRWJVGG-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C1CC1)C1CCCC1)C1CC1 ZINC000453103057 276349157 /nfs/dbraw/zinc/34/91/57/276349157.db2.gz ZCJPAJJBBLEXEK-INIZCTEOSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C1CC1)C1CCCC1)C1CC1 ZINC000453103057 276349159 /nfs/dbraw/zinc/34/91/59/276349159.db2.gz ZCJPAJJBBLEXEK-INIZCTEOSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414061658 276379414 /nfs/dbraw/zinc/37/94/14/276379414.db2.gz KRKALTUDIHHWIS-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414061658 276379415 /nfs/dbraw/zinc/37/94/15/276379415.db2.gz KRKALTUDIHHWIS-CABCVRRESA-N 2 2 276.424 3.139 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095178 276379721 /nfs/dbraw/zinc/37/97/21/276379721.db2.gz QVHZTCGVTZNAEJ-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000480095178 276379722 /nfs/dbraw/zinc/37/97/22/276379722.db2.gz QVHZTCGVTZNAEJ-OALUTQOASA-N 2 2 286.463 3.390 20 0 CGADLP C[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384839 277298998 /nfs/dbraw/zinc/29/89/98/277298998.db2.gz IBBICYGMIGECSH-MLGOLLRUSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427879871 277364039 /nfs/dbraw/zinc/36/40/39/277364039.db2.gz UTTMXQMFSVRBIW-HRCADAONSA-N 2 2 275.440 3.392 20 0 CGADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000279570166 277644251 /nfs/dbraw/zinc/64/42/51/277644251.db2.gz SUKCLAYPEJNNST-BMGDILEWSA-N 2 2 299.418 3.481 20 0 CGADLP CCN(C)c1ccc(CNc2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000359963381 287979680 /nfs/dbraw/zinc/97/96/80/287979680.db2.gz KEFOPXGXDFTUNV-UHFFFAOYSA-N 2 2 298.434 3.211 20 0 CGADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000378010125 287992926 /nfs/dbraw/zinc/99/29/26/287992926.db2.gz SULCBTBVXKNYMV-ZBFHGGJFSA-N 2 2 299.418 3.428 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000268808338 278301576 /nfs/dbraw/zinc/30/15/76/278301576.db2.gz JXHYUIBGZKTQBU-BBRMVZONSA-N 2 2 269.392 3.284 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397830294 288032004 /nfs/dbraw/zinc/03/20/04/288032004.db2.gz MUIMVNOJSKHQDD-OAHLLOKOSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191554 278375971 /nfs/dbraw/zinc/37/59/71/278375971.db2.gz IQPZQWMMPRECSC-PSASIEDQSA-N 2 2 295.308 3.035 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)c(F)c(F)c1 ZINC000334191554 278375972 /nfs/dbraw/zinc/37/59/72/278375972.db2.gz IQPZQWMMPRECSC-PSASIEDQSA-N 2 2 295.308 3.035 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000447574242 278376846 /nfs/dbraw/zinc/37/68/46/278376846.db2.gz UZFWLVWDJFSQJG-MISXGVKJSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000447574242 278376847 /nfs/dbraw/zinc/37/68/47/278376847.db2.gz UZFWLVWDJFSQJG-MISXGVKJSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000422947339 278387035 /nfs/dbraw/zinc/38/70/35/278387035.db2.gz QHZGGELSDRUHAG-KMUNFCNLSA-N 2 2 264.800 3.057 20 0 CGADLP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1OC ZINC000423259707 288063157 /nfs/dbraw/zinc/06/31/57/288063157.db2.gz FQJWCGCRXXTRMI-HIFRSBDPSA-N 2 2 264.413 3.109 20 0 CGADLP CCCCC1CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422935823 278668569 /nfs/dbraw/zinc/66/85/69/278668569.db2.gz DWNNWCCUFVCDEI-OTBWCIGPSA-N 2 2 282.472 3.092 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367438767 278854731 /nfs/dbraw/zinc/85/47/31/278854731.db2.gz PDGMQPDDAGQWRO-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1C(C)C)CCC2 ZINC000468553801 279004206 /nfs/dbraw/zinc/00/42/06/279004206.db2.gz LWPOOEDTZDNAQD-HRCADAONSA-N 2 2 275.440 3.483 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CCC[N@@H+]1C ZINC000342739872 279093704 /nfs/dbraw/zinc/09/37/04/279093704.db2.gz PPXQWICSRSSGIV-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)CCC[N@H+]1C ZINC000342739872 279093705 /nfs/dbraw/zinc/09/37/05/279093705.db2.gz PPXQWICSRSSGIV-RLCCDNCMSA-N 2 2 278.827 3.400 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000346982209 279290650 /nfs/dbraw/zinc/29/06/50/279290650.db2.gz NOLFAJPLZZEQJP-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000346982209 279290652 /nfs/dbraw/zinc/29/06/52/279290652.db2.gz NOLFAJPLZZEQJP-NSHDSACASA-N 2 2 299.245 3.351 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250221346 279295886 /nfs/dbraw/zinc/29/58/86/279295886.db2.gz DVPYAAAKGWVJAZ-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250221346 279295887 /nfs/dbraw/zinc/29/58/87/279295887.db2.gz DVPYAAAKGWVJAZ-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP Fc1ccc(F)c(C[NH2+]CCC[NH+]2CCCC2)c1Cl ZINC000527631780 288178071 /nfs/dbraw/zinc/17/80/71/288178071.db2.gz IXMJZPWTXKBXCI-UHFFFAOYSA-N 2 2 288.769 3.194 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857950 280100013 /nfs/dbraw/zinc/10/00/13/280100013.db2.gz XMTWIUMAQDITBF-KSSFIOAISA-N 2 2 266.388 3.275 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000261857950 280100015 /nfs/dbraw/zinc/10/00/15/280100015.db2.gz XMTWIUMAQDITBF-KSSFIOAISA-N 2 2 266.388 3.275 20 0 CGADLP C/C(Cl)=C\C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528429043 288199420 /nfs/dbraw/zinc/19/94/20/288199420.db2.gz OJDAWNIBFVRDFI-LFYBBSHMSA-N 2 2 265.788 3.101 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@@H+]1C ZINC000346349451 280119295 /nfs/dbraw/zinc/11/92/95/280119295.db2.gz ZTQATRDVAQCFEM-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCC[N@H+]1C ZINC000346349451 280119296 /nfs/dbraw/zinc/11/92/96/280119296.db2.gz ZTQATRDVAQCFEM-SMDDNHRTSA-N 2 2 286.341 3.278 20 0 CGADLP C/C(Cl)=C/C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000528460013 288201664 /nfs/dbraw/zinc/20/16/64/288201664.db2.gz QHEWCJWXWUSMCQ-MVXISAMASA-N 2 2 279.815 3.151 20 0 CGADLP c1csc([C@@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+]2CCCC2)c1 ZINC000194178389 280505178 /nfs/dbraw/zinc/50/51/78/280505178.db2.gz JBCRXXQHAFHXHS-LSDHHAIUSA-N 2 2 292.448 3.167 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000296393536 280809329 /nfs/dbraw/zinc/80/93/29/280809329.db2.gz JZCHCOQWVWBHNT-BBRMVZONSA-N 2 2 284.407 3.371 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423371641 280997360 /nfs/dbraw/zinc/99/73/60/280997360.db2.gz AOWUKCXNRMUWFX-DOTOQJQBSA-N 2 2 288.435 3.268 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179877 288296657 /nfs/dbraw/zinc/29/66/57/288296657.db2.gz YLFDJLSCWPOKSQ-KRWDZBQOSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cncc(C)c1)CCC2 ZINC000372107399 281551066 /nfs/dbraw/zinc/55/10/66/281551066.db2.gz GCPJDCHFVNKHAW-GJZGRUSLSA-N 2 2 284.407 3.123 20 0 CGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000531702094 288341118 /nfs/dbraw/zinc/34/11/18/288341118.db2.gz XEJPWWXAHDINMY-AWEZNQCLSA-N 2 2 285.391 3.044 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000531728527 288344466 /nfs/dbraw/zinc/34/44/66/288344466.db2.gz DWARDGZALYBCAG-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000531728527 288344468 /nfs/dbraw/zinc/34/44/68/288344468.db2.gz DWARDGZALYBCAG-CZUORRHYSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239680 288357733 /nfs/dbraw/zinc/35/77/33/288357733.db2.gz WAZIPGGECDPVPA-SJORKVTESA-N 2 2 274.452 3.248 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239680 288357735 /nfs/dbraw/zinc/35/77/35/288357735.db2.gz WAZIPGGECDPVPA-SJORKVTESA-N 2 2 274.452 3.248 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000532492430 288365129 /nfs/dbraw/zinc/36/51/29/288365129.db2.gz SBPMPXYOKZAGSJ-GDBMZVCRSA-N 2 2 252.446 3.131 20 0 CGADLP CC/C=C\CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000546637326 288933566 /nfs/dbraw/zinc/93/35/66/288933566.db2.gz KLINYEDIAIBWMX-ARJAWSKDSA-N 2 2 259.397 3.314 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547979753 288983688 /nfs/dbraw/zinc/98/36/88/288983688.db2.gz BQPZFOCBAWBICK-ABAIWWIYSA-N 2 2 287.794 3.128 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000548859595 289025819 /nfs/dbraw/zinc/02/58/19/289025819.db2.gz FAUKNFNHTRCGHI-RSRPTUBKSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC000548859595 289025821 /nfs/dbraw/zinc/02/58/21/289025821.db2.gz FAUKNFNHTRCGHI-RSRPTUBKSA-N 2 2 284.447 3.428 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1C[C@H]1c1ccccc1)CCCC2 ZINC000551580492 289123460 /nfs/dbraw/zinc/12/34/60/289123460.db2.gz LZQDUOYTYZJAAS-WBVHZDCISA-N 2 2 281.403 3.113 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000552045994 289154491 /nfs/dbraw/zinc/15/44/91/289154491.db2.gz VDXBUGDIRQCXDS-CWRNSKLLSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000552045994 289154493 /nfs/dbraw/zinc/15/44/93/289154493.db2.gz VDXBUGDIRQCXDS-CWRNSKLLSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000556203612 289377188 /nfs/dbraw/zinc/37/71/88/289377188.db2.gz UJZHJLSDEUEULK-IXYNUQLISA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000556203612 289377190 /nfs/dbraw/zinc/37/71/90/289377190.db2.gz UJZHJLSDEUEULK-IXYNUQLISA-N 2 2 250.430 3.028 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000556585697 289398797 /nfs/dbraw/zinc/39/87/97/289398797.db2.gz HSQATKPWKXBVEP-AWEZNQCLSA-N 2 2 282.497 3.126 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000558699762 289514671 /nfs/dbraw/zinc/51/46/71/289514671.db2.gz NPUHZAPXHKXIFN-ZNMIVQPWSA-N 2 2 250.430 3.029 20 0 CGADLP CCC1CC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000560245714 289578975 /nfs/dbraw/zinc/57/89/75/289578975.db2.gz IEJJOWZOJNXMCM-PREGVCBESA-N 2 2 260.425 3.376 20 0 CGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000560880369 289618883 /nfs/dbraw/zinc/61/88/83/289618883.db2.gz WMAICOLKVFIARR-CABCVRRESA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000562519468 289710327 /nfs/dbraw/zinc/71/03/27/289710327.db2.gz LHROXSSJKBWCJL-OAGGEKHMSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000132637212 290030940 /nfs/dbraw/zinc/03/09/40/290030940.db2.gz XHBJVAZZYHPOSP-GMXVVIOVSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000132637212 290030943 /nfs/dbraw/zinc/03/09/43/290030943.db2.gz XHBJVAZZYHPOSP-GMXVVIOVSA-N 2 2 250.411 3.024 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260722 290214204 /nfs/dbraw/zinc/21/42/04/290214204.db2.gz YKQKNJJOPWVSRX-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260722 290214205 /nfs/dbraw/zinc/21/42/05/290214205.db2.gz YKQKNJJOPWVSRX-KGLIPLIRSA-N 2 2 294.389 3.444 20 0 CGADLP COC[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C(C)C ZINC000423390274 293167065 /nfs/dbraw/zinc/16/70/65/293167065.db2.gz JZYRAQQZNILUQZ-MSOLQXFVSA-N 2 2 286.419 3.100 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423377344 293198430 /nfs/dbraw/zinc/19/84/30/293198430.db2.gz YQIOVLRBKRURSN-NTZNESFSSA-N 2 2 295.496 3.398 20 0 CGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H](C2CC2)C2CCCC2)C[C@@H](C)O1 ZINC000453062659 296997491 /nfs/dbraw/zinc/99/74/91/296997491.db2.gz FFBYDAXXEOWWGP-RKVPGOIHSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCCC[NH2+]1 ZINC000386574597 336176451 /nfs/dbraw/zinc/17/64/51/336176451.db2.gz MUPIUXYKWQZMMV-ONGXEEELSA-N 2 2 258.818 3.022 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c1 ZINC000414101834 295237440 /nfs/dbraw/zinc/23/74/40/295237440.db2.gz CGXHLDWFBXVUMX-GRDNDAEWSA-N 2 2 276.424 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1 ZINC000414101834 295237442 /nfs/dbraw/zinc/23/74/42/295237442.db2.gz CGXHLDWFBXVUMX-GRDNDAEWSA-N 2 2 276.424 3.137 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCCO2 ZINC000423233721 301285354 /nfs/dbraw/zinc/28/53/54/301285354.db2.gz KLFMOTNWBXAPGK-IUODEOHRSA-N 2 2 294.826 3.204 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H]1C[C@H]1C)[NH+](C)C ZINC000488558238 302208606 /nfs/dbraw/zinc/20/86/06/302208606.db2.gz MKKQUFBUZGGEEM-AESZEHBQSA-N 2 2 260.425 3.232 20 0 CGADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000422873491 303136898 /nfs/dbraw/zinc/13/68/98/303136898.db2.gz LGFVMPXUJTWHPZ-CJNGLKHVSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(C)CC2)CC1 ZINC000583476458 327913715 /nfs/dbraw/zinc/91/37/15/327913715.db2.gz MVGSSQISTDTBEM-UHFFFAOYSA-N 2 2 260.381 3.033 20 0 CGADLP CCN(CCC[NH+](C)C)c1[nH+]ccc2cc(F)ccc21 ZINC000563039072 321975265 /nfs/dbraw/zinc/97/52/65/321975265.db2.gz RQATVGYIPAXZDX-UHFFFAOYSA-N 2 2 275.371 3.152 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563430138 321997439 /nfs/dbraw/zinc/99/74/39/321997439.db2.gz ADDDKVKZTFCMRX-IUODEOHRSA-N 2 2 293.480 3.278 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000564317885 322026677 /nfs/dbraw/zinc/02/66/77/322026677.db2.gz LJMXLNOKDPEBNA-LSDHHAIUSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000564317885 322026679 /nfs/dbraw/zinc/02/66/79/322026679.db2.gz LJMXLNOKDPEBNA-LSDHHAIUSA-N 2 2 275.440 3.426 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000564823784 322044883 /nfs/dbraw/zinc/04/48/83/322044883.db2.gz KIUOEUBIGVJNNL-AFAVFJNCSA-N 2 2 284.407 3.259 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000565153368 322063016 /nfs/dbraw/zinc/06/30/16/322063016.db2.gz QDQPJLAATSVWQF-PBHICJAKSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000565153368 322063018 /nfs/dbraw/zinc/06/30/18/322063018.db2.gz QDQPJLAATSVWQF-PBHICJAKSA-N 2 2 290.426 3.363 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565170419 322064806 /nfs/dbraw/zinc/06/48/06/322064806.db2.gz IZPZXZGLLMIPPO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565170419 322064809 /nfs/dbraw/zinc/06/48/09/322064809.db2.gz IZPZXZGLLMIPPO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565170419 322064811 /nfs/dbraw/zinc/06/48/11/322064811.db2.gz IZPZXZGLLMIPPO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565170419 322064813 /nfs/dbraw/zinc/06/48/13/322064813.db2.gz IZPZXZGLLMIPPO-DLBZAZTESA-N 2 2 288.435 3.142 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000565720260 322088553 /nfs/dbraw/zinc/08/85/53/322088553.db2.gz OQUJEBQHOUUZHT-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000565720260 322088554 /nfs/dbraw/zinc/08/85/54/322088554.db2.gz OQUJEBQHOUUZHT-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000565931888 322096910 /nfs/dbraw/zinc/09/69/10/322096910.db2.gz ZUAGOTFWKQXBHQ-GJZGRUSLSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000565931888 322096912 /nfs/dbraw/zinc/09/69/12/322096912.db2.gz ZUAGOTFWKQXBHQ-GJZGRUSLSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000566365952 322119031 /nfs/dbraw/zinc/11/90/31/322119031.db2.gz ZXKKLQRNGGVHHI-OASPWFOLSA-N 2 2 296.867 3.461 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000566365952 322119034 /nfs/dbraw/zinc/11/90/34/322119034.db2.gz ZXKKLQRNGGVHHI-OASPWFOLSA-N 2 2 296.867 3.461 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+]CCC[NH+]1CCC1 ZINC000566475218 322124988 /nfs/dbraw/zinc/12/49/88/322124988.db2.gz LJEBNZIPMOJTEN-UHFFFAOYSA-N 2 2 284.403 3.034 20 0 CGADLP COCC[N@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000567107019 322150761 /nfs/dbraw/zinc/15/07/61/322150761.db2.gz IPEQEOCQNPMZDL-UHFFFAOYSA-N 2 2 284.403 3.081 20 0 CGADLP COCC[N@@H+](CCc1cc[nH+]cc1C)Cc1ccccc1 ZINC000567107019 322150763 /nfs/dbraw/zinc/15/07/63/322150763.db2.gz IPEQEOCQNPMZDL-UHFFFAOYSA-N 2 2 284.403 3.081 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](c1ccccc1)C(C)C ZINC000567871932 322181322 /nfs/dbraw/zinc/18/13/22/322181322.db2.gz GCJDKJIJJAJJOG-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](c1ccccc1)C(C)C ZINC000567871932 322181323 /nfs/dbraw/zinc/18/13/23/322181323.db2.gz GCJDKJIJJAJJOG-SJORKVTESA-N 2 2 260.425 3.110 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000568033971 322189092 /nfs/dbraw/zinc/18/90/92/322189092.db2.gz CXCZVWAELZNHLZ-UHFFFAOYSA-N 2 2 288.395 3.038 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000568033971 322189095 /nfs/dbraw/zinc/18/90/95/322189095.db2.gz CXCZVWAELZNHLZ-UHFFFAOYSA-N 2 2 288.395 3.038 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)n1C ZINC000568414711 322208764 /nfs/dbraw/zinc/20/87/64/322208764.db2.gz SSQHIBAYUZEHAE-INIZCTEOSA-N 2 2 297.406 3.092 20 0 CGADLP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1 ZINC000568434062 322209209 /nfs/dbraw/zinc/20/92/09/322209209.db2.gz LORTWDAUGCBHSG-UHFFFAOYSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000569474236 322248536 /nfs/dbraw/zinc/24/85/36/322248536.db2.gz MUSBVUUDPKALOG-SWLSCSKDSA-N 2 2 273.380 3.470 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C)Cc1ccccc1F ZINC000571557312 322301600 /nfs/dbraw/zinc/30/16/00/322301600.db2.gz YQZUSGRYNAJNRU-UHFFFAOYSA-N 2 2 258.340 3.204 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)Cc1ccccc1F ZINC000571557312 322301602 /nfs/dbraw/zinc/30/16/02/322301602.db2.gz YQZUSGRYNAJNRU-UHFFFAOYSA-N 2 2 258.340 3.204 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCc3cc(N)ccc32)c[nH+]1 ZINC000572135898 322321953 /nfs/dbraw/zinc/32/19/53/322321953.db2.gz PFEKGZSNRBIZIU-GOSISDBHSA-N 2 2 281.403 3.182 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+](C)C(C)C)c2c1 ZINC000572279503 322329152 /nfs/dbraw/zinc/32/91/52/322329152.db2.gz JHCMBEDQSLOOFZ-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+](C)C(C)C)c2c1 ZINC000572279503 322329155 /nfs/dbraw/zinc/32/91/55/322329155.db2.gz JHCMBEDQSLOOFZ-UHFFFAOYSA-N 2 2 257.381 3.295 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000573323328 322382005 /nfs/dbraw/zinc/38/20/05/322382005.db2.gz CACANLRXGBPWFF-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000573323328 322382008 /nfs/dbraw/zinc/38/20/08/322382008.db2.gz CACANLRXGBPWFF-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP F[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000582725037 329131159 /nfs/dbraw/zinc/13/11/59/329131159.db2.gz LRJMMQCJWCQADY-VXGBXAGGSA-N 2 2 279.384 3.304 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2cccs2)C2CC2)n1C ZINC000583823899 329481604 /nfs/dbraw/zinc/48/16/04/329481604.db2.gz LPZBLKIUGNUNJB-CQSZACIVSA-N 2 2 261.394 3.031 20 0 CGADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201644 335168754 /nfs/dbraw/zinc/16/87/54/335168754.db2.gz IMPLNDBGNZDQRO-CHWSQXEVSA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201644 335168755 /nfs/dbraw/zinc/16/87/55/335168755.db2.gz IMPLNDBGNZDQRO-CHWSQXEVSA-N 2 2 297.402 3.281 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000576411028 335201034 /nfs/dbraw/zinc/20/10/34/335201034.db2.gz DGNPXWMYAJWGRK-YOEHRIQHSA-N 2 2 296.418 3.026 20 0 CGADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000576411028 335201036 /nfs/dbraw/zinc/20/10/36/335201036.db2.gz DGNPXWMYAJWGRK-YOEHRIQHSA-N 2 2 296.418 3.026 20 0 CGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840057 335254972 /nfs/dbraw/zinc/25/49/72/335254972.db2.gz JZKOJQIQQCPGLQ-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840057 335254973 /nfs/dbraw/zinc/25/49/73/335254973.db2.gz JZKOJQIQQCPGLQ-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840057 335254975 /nfs/dbraw/zinc/25/49/75/335254975.db2.gz JZKOJQIQQCPGLQ-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840057 335254976 /nfs/dbraw/zinc/25/49/76/335254976.db2.gz JZKOJQIQQCPGLQ-ZWKOTPCHSA-N 2 2 290.426 3.432 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000580618500 335303265 /nfs/dbraw/zinc/30/32/65/335303265.db2.gz XRDNGPVUXONVNU-CRCOGDFISA-N 2 2 290.451 3.223 20 0 CGADLP C[N@@H+]1CCC[C@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@@H]21 ZINC000577746619 335396160 /nfs/dbraw/zinc/39/61/60/335396160.db2.gz ZVHLJXDPYNCBJG-YOEHRIQHSA-N 2 2 299.393 3.294 20 0 CGADLP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4cc(F)ccc43)CC[C@@H]21 ZINC000577746619 335396162 /nfs/dbraw/zinc/39/61/62/335396162.db2.gz ZVHLJXDPYNCBJG-YOEHRIQHSA-N 2 2 299.393 3.294 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1[nH+]ccc2cc(F)ccc21 ZINC000581188882 336021121 /nfs/dbraw/zinc/02/11/21/336021121.db2.gz ZWFZGEWTWCPICS-UHFFFAOYSA-N 2 2 298.365 3.260 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000381092531 336049866 /nfs/dbraw/zinc/04/98/66/336049866.db2.gz XCUBCIADNPGQCH-ZOBUZTSGSA-N 2 2 260.425 3.428 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000381092531 336049867 /nfs/dbraw/zinc/04/98/67/336049867.db2.gz XCUBCIADNPGQCH-ZOBUZTSGSA-N 2 2 260.425 3.428 20 0 CGADLP CC[N@@H+]1CCN(c2cc[nH+]c3c(Cl)cccc23)[C@H](C)C1 ZINC000581420552 336074107 /nfs/dbraw/zinc/07/41/07/336074107.db2.gz HITNDASTFKFQNT-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1F ZINC000384513416 336125098 /nfs/dbraw/zinc/12/50/98/336125098.db2.gz HURVUWUDPBSTKV-UHFFFAOYSA-N 2 2 299.393 3.288 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCCC[NH2+]1 ZINC000386100691 336166226 /nfs/dbraw/zinc/16/62/26/336166226.db2.gz JRBVVWIASITRMW-SMDDNHRTSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000386180456 336167571 /nfs/dbraw/zinc/16/75/71/336167571.db2.gz HNMPKPYFLPDEBR-RDBSUJKOSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000386180456 336167573 /nfs/dbraw/zinc/16/75/73/336167573.db2.gz HNMPKPYFLPDEBR-RDBSUJKOSA-N 2 2 252.446 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCc2sccc21)[C@@H]1CCCC[NH2+]1 ZINC000386510845 336175874 /nfs/dbraw/zinc/17/58/74/336175874.db2.gz XCHVMNRHUXXYIT-FPMFFAJLSA-N 2 2 264.438 3.246 20 0 CGADLP Cc1ccc(C2CCN(c3cccc(C)[nH+]3)CC2)c[nH+]1 ZINC000336457221 500969489 /nfs/dbraw/zinc/96/94/89/500969489.db2.gz BYAHEBKSCFICFD-UHFFFAOYSA-N 2 2 267.376 3.477 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cnn1C(C)C ZINC000423238770 533943033 /nfs/dbraw/zinc/94/30/33/533943033.db2.gz JHOOIIHNVJXETE-CXAGYDPISA-N 2 2 286.423 3.123 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427878186 533991614 /nfs/dbraw/zinc/99/16/14/533991614.db2.gz VFJRKZAMIKQOLC-GXTWGEPZSA-N 2 2 281.359 3.295 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C2CC2)cc1 ZINC000437090674 534130248 /nfs/dbraw/zinc/13/02/48/534130248.db2.gz XEOVHHMPWSRWRN-GOSISDBHSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000414112108 534134181 /nfs/dbraw/zinc/13/41/81/534134181.db2.gz JRVONMXGSDSMFI-DZXRDFMUSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[C@H]2C)C1 ZINC000414112108 534134189 /nfs/dbraw/zinc/13/41/89/534134189.db2.gz JRVONMXGSDSMFI-DZXRDFMUSA-N 2 2 272.436 3.456 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)sc1C ZINC000415082836 534389381 /nfs/dbraw/zinc/38/93/81/534389381.db2.gz OYQQISYAMFISOC-FZMZJTMJSA-N 2 2 281.469 3.160 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc2c1 ZINC000423237890 534471891 /nfs/dbraw/zinc/47/18/91/534471891.db2.gz QIRQXXCRMKOUFC-OCCSQVGLSA-N 2 2 258.365 3.144 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000365665155 534502656 /nfs/dbraw/zinc/50/26/56/534502656.db2.gz AAUGPUOYOJFXRO-AEFFLSMTSA-N 2 2 298.361 3.361 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000365665155 534502662 /nfs/dbraw/zinc/50/26/62/534502662.db2.gz AAUGPUOYOJFXRO-AEFFLSMTSA-N 2 2 298.361 3.361 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000366229311 534512079 /nfs/dbraw/zinc/51/20/79/534512079.db2.gz IDHGSEATBYYSPA-UONOGXRCSA-N 2 2 273.380 3.321 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425321277 534764911 /nfs/dbraw/zinc/76/49/11/534764911.db2.gz FBARSTQNOFGAAG-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425321277 534764918 /nfs/dbraw/zinc/76/49/18/534764918.db2.gz FBARSTQNOFGAAG-QGZVFWFLSA-N 2 2 298.434 3.132 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157261374 524784765 /nfs/dbraw/zinc/78/47/65/524784765.db2.gz RLRDINVSXCNWMS-ZLIFDBKOSA-N 2 2 282.387 3.491 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087759080 524791364 /nfs/dbraw/zinc/79/13/64/524791364.db2.gz CHXWIJZWLFRQCU-SNVBAGLBSA-N 2 2 284.190 3.368 20 0 CGADLP Cc1ccc([C@H](C[NH2+]Cc2cc[nH]c2)[NH+]2CCCC2)cc1 ZINC000086252262 525958537 /nfs/dbraw/zinc/95/85/37/525958537.db2.gz AJOJHBQPODUJKY-SFHVURJKSA-N 2 2 283.419 3.250 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156308011 526092724 /nfs/dbraw/zinc/09/27/24/526092724.db2.gz CMVWEQFDHCRJQN-YOEHRIQHSA-N 2 2 268.360 3.296 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156308011 526092733 /nfs/dbraw/zinc/09/27/33/526092733.db2.gz CMVWEQFDHCRJQN-YOEHRIQHSA-N 2 2 268.360 3.296 20 0 CGADLP C[C@H]1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)C1 ZINC000084463971 526229405 /nfs/dbraw/zinc/22/94/05/526229405.db2.gz IIDVDCZOCWQCSN-HUUCEWRRSA-N 2 2 287.451 3.465 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156371848 526946865 /nfs/dbraw/zinc/94/68/65/526946865.db2.gz XOLQGMGDQLOPSA-MRXNPFEDSA-N 2 2 288.778 3.388 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156371848 526946869 /nfs/dbraw/zinc/94/68/69/526946869.db2.gz XOLQGMGDQLOPSA-MRXNPFEDSA-N 2 2 288.778 3.388 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415105317 527180047 /nfs/dbraw/zinc/18/00/47/527180047.db2.gz LVHQRRFXCRTFLH-JTQLQIEISA-N 2 2 287.234 3.223 20 0 CGADLP CC(=O)c1ccc2c(c1)C[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000411935292 527344875 /nfs/dbraw/zinc/34/48/75/527344875.db2.gz FRNLWICQNMKBIR-UHFFFAOYSA-N 2 2 297.402 3.190 20 0 CGADLP CC(=O)c1ccc2c(c1)C[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000411935292 527344882 /nfs/dbraw/zinc/34/48/82/527344882.db2.gz FRNLWICQNMKBIR-UHFFFAOYSA-N 2 2 297.402 3.190 20 0 CGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000427878241 527876523 /nfs/dbraw/zinc/87/65/23/527876523.db2.gz QFYPZLQNPAFETF-YESZJQIVSA-N 2 2 295.430 3.370 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423302785 527884294 /nfs/dbraw/zinc/88/42/94/527884294.db2.gz KNTUNLQJBHFSEP-XKQJLSEDSA-N 2 2 258.409 3.213 20 0 CGADLP CC(C)COc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449257863 528184614 /nfs/dbraw/zinc/18/46/14/528184614.db2.gz KRIKATJBEVOVJY-MRXNPFEDSA-N 2 2 299.418 3.023 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000423251335 528331906 /nfs/dbraw/zinc/33/19/06/528331906.db2.gz VYUOLPOTPACEQM-LBPRGKRZSA-N 2 2 276.380 3.092 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000423236649 528359362 /nfs/dbraw/zinc/35/93/62/528359362.db2.gz OUJZYYDAGABHIH-CHWSQXEVSA-N 2 2 252.427 3.177 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423371838 528422856 /nfs/dbraw/zinc/42/28/56/528422856.db2.gz FVTLYLNGFJEYJB-MNOVXSKESA-N 2 2 274.330 3.354 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423312142 528514418 /nfs/dbraw/zinc/51/44/18/528514418.db2.gz REYLYBXCEGHCAO-OAHLLOKOSA-N 2 2 270.367 3.251 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423305755 528517620 /nfs/dbraw/zinc/51/76/20/528517620.db2.gz CRHFLCJCAKWCJQ-HNNXBMFYSA-N 2 2 250.386 3.018 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cn1 ZINC000423233535 528588246 /nfs/dbraw/zinc/58/82/46/528588246.db2.gz DQCCVYSSIPDTEB-NVXWUHKLSA-N 2 2 287.382 3.207 20 0 CGADLP CCCc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000426414946 528665610 /nfs/dbraw/zinc/66/56/10/528665610.db2.gz XTBSOOJUZFPJNU-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000426414946 528665614 /nfs/dbraw/zinc/66/56/14/528665614.db2.gz XTBSOOJUZFPJNU-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000426414946 528665620 /nfs/dbraw/zinc/66/56/20/528665620.db2.gz XTBSOOJUZFPJNU-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000426414946 528665623 /nfs/dbraw/zinc/66/56/23/528665623.db2.gz XTBSOOJUZFPJNU-ZFWWWQNUSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)o1 ZINC000428254197 528723551 /nfs/dbraw/zinc/72/35/51/528723551.db2.gz UHAKMVFBDADKQL-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)o1 ZINC000428254197 528723555 /nfs/dbraw/zinc/72/35/55/528723555.db2.gz UHAKMVFBDADKQL-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)o1 ZINC000428254197 528723557 /nfs/dbraw/zinc/72/35/57/528723557.db2.gz UHAKMVFBDADKQL-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)o1 ZINC000428254197 528723558 /nfs/dbraw/zinc/72/35/58/528723558.db2.gz UHAKMVFBDADKQL-OAHLLOKOSA-N 2 2 293.455 3.099 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423296863 528823296 /nfs/dbraw/zinc/82/32/96/528823296.db2.gz HUNGXGDJMKHXTB-HIFRSBDPSA-N 2 2 271.408 3.403 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423292335 528950790 /nfs/dbraw/zinc/95/07/90/528950790.db2.gz MOLIBIXJSUTKTE-AWEZNQCLSA-N 2 2 284.831 3.135 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423287069 528950961 /nfs/dbraw/zinc/95/09/61/528950961.db2.gz KCGFHVNGSRWSRC-NSHDSACASA-N 2 2 281.469 3.190 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423296470 528957350 /nfs/dbraw/zinc/95/73/50/528957350.db2.gz GXXDWAONOVQXDE-ZYHUDNBSSA-N 2 2 256.340 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436282540 529082333 /nfs/dbraw/zinc/08/23/33/529082333.db2.gz RKNAWVZZLXWJNG-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436282540 529082335 /nfs/dbraw/zinc/08/23/35/529082335.db2.gz RKNAWVZZLXWJNG-RCCFBDPRSA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccc(F)cc1F ZINC000423271549 529206442 /nfs/dbraw/zinc/20/64/42/529206442.db2.gz XYIXIHBYNBUTDR-SWLSCSKDSA-N 2 2 270.367 3.379 20 0 CGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423236167 529210236 /nfs/dbraw/zinc/21/02/36/529210236.db2.gz RPXWPPSIFWWZGG-QGZVFWFLSA-N 2 2 296.418 3.054 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528851 529274260 /nfs/dbraw/zinc/27/42/60/529274260.db2.gz VDYNZLOMKDFOTN-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000368528851 529274261 /nfs/dbraw/zinc/27/42/61/529274261.db2.gz VDYNZLOMKDFOTN-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)C[N@H+](CCn1cc[nH+]c1)[C@H]1CCCc2cccnc21 ZINC000126978091 535054045 /nfs/dbraw/zinc/05/40/45/535054045.db2.gz HVJJVOCYLAGOFP-KRWDZBQOSA-N 2 2 298.434 3.314 20 0 CGADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCc2cccnc21 ZINC000126978091 535054051 /nfs/dbraw/zinc/05/40/51/535054051.db2.gz HVJJVOCYLAGOFP-KRWDZBQOSA-N 2 2 298.434 3.314 20 0 CGADLP CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000226786845 535152787 /nfs/dbraw/zinc/15/27/87/535152787.db2.gz IZTQHCRQPSMCFU-UHFFFAOYSA-N 2 2 255.365 3.152 20 0 CGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000517369901 536749773 /nfs/dbraw/zinc/74/97/73/536749773.db2.gz CFBAQFFTHHKWOT-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1C ZINC000517369901 536749778 /nfs/dbraw/zinc/74/97/78/536749778.db2.gz CFBAQFFTHHKWOT-IRXDYDNUSA-N 2 2 288.435 3.110 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881431 571891200 /nfs/dbraw/zinc/89/12/00/571891200.db2.gz BEMOJLMXYFAVBO-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881431 571891203 /nfs/dbraw/zinc/89/12/03/571891203.db2.gz BEMOJLMXYFAVBO-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881431 571891204 /nfs/dbraw/zinc/89/12/04/571891204.db2.gz BEMOJLMXYFAVBO-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(Cl)c2)C[C@@H]1C ZINC000740881431 571891207 /nfs/dbraw/zinc/89/12/07/571891207.db2.gz BEMOJLMXYFAVBO-JSGCOSHPSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000090233604 617612972 /nfs/dbraw/zinc/61/29/72/617612972.db2.gz LAHKGVBDNQXICN-QAPCUYQASA-N 2 2 287.451 3.072 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000090233604 617612975 /nfs/dbraw/zinc/61/29/75/617612975.db2.gz LAHKGVBDNQXICN-QAPCUYQASA-N 2 2 287.451 3.072 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c[nH+]1 ZINC000924768937 620739649 /nfs/dbraw/zinc/73/96/49/620739649.db2.gz IOJHDJVRQSRDIZ-MQVJKMGUSA-N 2 2 299.443 3.389 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)[NH+]1CCCCC1 ZINC000806130799 617834219 /nfs/dbraw/zinc/83/42/19/617834219.db2.gz DGLDAHLPJRQYGW-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC000891561916 618238854 /nfs/dbraw/zinc/23/88/54/618238854.db2.gz NUSUGCCAMJNNQH-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC000891561916 618238855 /nfs/dbraw/zinc/23/88/55/618238855.db2.gz NUSUGCCAMJNNQH-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000891671216 618244987 /nfs/dbraw/zinc/24/49/87/618244987.db2.gz NMFPXBRWEDUSPC-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000891671216 618244988 /nfs/dbraw/zinc/24/49/88/618244988.db2.gz NMFPXBRWEDUSPC-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000891671216 618244990 /nfs/dbraw/zinc/24/49/90/618244990.db2.gz NMFPXBRWEDUSPC-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000891671216 618244991 /nfs/dbraw/zinc/24/49/91/618244991.db2.gz NMFPXBRWEDUSPC-KRWDZBQOSA-N 2 2 289.467 3.054 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000891724626 618265178 /nfs/dbraw/zinc/26/51/78/618265178.db2.gz GNLKMIMHIHEIEB-QGZVFWFLSA-N 2 2 283.419 3.449 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000891724626 618265185 /nfs/dbraw/zinc/26/51/85/618265185.db2.gz GNLKMIMHIHEIEB-QGZVFWFLSA-N 2 2 283.419 3.449 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000926372707 618581770 /nfs/dbraw/zinc/58/17/70/618581770.db2.gz QJOHOYKQQZOGCB-CWQOZTLDSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000926372707 618581773 /nfs/dbraw/zinc/58/17/73/618581773.db2.gz QJOHOYKQQZOGCB-CWQOZTLDSA-N 2 2 294.483 3.187 20 0 CGADLP COc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000892450993 618789081 /nfs/dbraw/zinc/78/90/81/618789081.db2.gz MWIPEOXNOKEKLT-UHFFFAOYSA-N 2 2 280.412 3.032 20 0 CGADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000892450993 618789084 /nfs/dbraw/zinc/78/90/84/618789084.db2.gz MWIPEOXNOKEKLT-UHFFFAOYSA-N 2 2 280.412 3.032 20 0 CGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000182625279 619038096 /nfs/dbraw/zinc/03/80/96/619038096.db2.gz XDDNQFJEXHLXHX-QGZVFWFLSA-N 2 2 275.440 3.285 20 0 CGADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cc2ccccc2o1 ZINC000925645517 619104046 /nfs/dbraw/zinc/10/40/46/619104046.db2.gz QHLKFHPJTOMOLX-ABABGCRSSA-N 2 2 282.387 3.080 20 0 CGADLP Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)ccc1[NH+](C)C ZINC000777642668 619162598 /nfs/dbraw/zinc/16/25/98/619162598.db2.gz AQPMFEZTNYTKHL-AWEZNQCLSA-N 2 2 275.440 3.203 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000925720582 619165601 /nfs/dbraw/zinc/16/56/01/619165601.db2.gz ZOJWBXUEQXNRSF-CQSZACIVSA-N 2 2 293.361 3.267 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1Cl ZINC000178409918 619175565 /nfs/dbraw/zinc/17/55/65/619175565.db2.gz UKBNSTLXYCKOJX-ZDUSSCGKSA-N 2 2 281.831 3.262 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)c2ccccc21 ZINC000925820463 619266308 /nfs/dbraw/zinc/26/63/08/619266308.db2.gz FRJFHQSEJDMVFQ-NXHRZFHOSA-N 2 2 279.387 3.267 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 ZINC000097928064 619302369 /nfs/dbraw/zinc/30/23/69/619302369.db2.gz XEXHNEXZYZDARW-BZUAXINKSA-N 2 2 264.457 3.419 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1c1ccccc1 ZINC000320006406 619700522 /nfs/dbraw/zinc/70/05/22/619700522.db2.gz ZSPGEKZDKVBOQR-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1c1ccccc1 ZINC000320006406 619700524 /nfs/dbraw/zinc/70/05/24/619700524.db2.gz ZSPGEKZDKVBOQR-VQTJNVASSA-N 2 2 292.426 3.491 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc(O)c2)c2cccc[nH+]2)CC1 ZINC000895112160 619735350 /nfs/dbraw/zinc/73/53/50/619735350.db2.gz VUGLKVQCBXCBDF-WKILWMFISA-N 2 2 297.402 3.064 20 0 CGADLP C[C@H]([C@H]1CC1(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112217 619735630 /nfs/dbraw/zinc/73/56/30/619735630.db2.gz OOSOABYRSSLHHG-AAVRWANBSA-N 2 2 295.377 3.202 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCC23CCC3)CC1 ZINC000895111830 619735839 /nfs/dbraw/zinc/73/58/39/619735839.db2.gz LLINNUKZCMVKDD-JYJNAYRXSA-N 2 2 285.435 3.491 20 0 CGADLP Cc1ccncc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112806 619736539 /nfs/dbraw/zinc/73/65/39/619736539.db2.gz SADKSDKAPYMDKN-QAQDUYKDSA-N 2 2 296.418 3.062 20 0 CGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895381455 619818062 /nfs/dbraw/zinc/81/80/62/619818062.db2.gz TXYKSFFTZMDURU-WBVHZDCISA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895381455 619818064 /nfs/dbraw/zinc/81/80/64/619818064.db2.gz TXYKSFFTZMDURU-WBVHZDCISA-N 2 2 292.471 3.016 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000895672617 619869940 /nfs/dbraw/zinc/86/99/40/619869940.db2.gz WBFZOBGTIAAKEM-UTCJRWHESA-N 2 2 288.410 3.399 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000895826997 619889371 /nfs/dbraw/zinc/88/93/71/619889371.db2.gz AZSUMMPCGTXDCI-UHFFFAOYSA-N 2 2 276.424 3.347 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000896714340 620050439 /nfs/dbraw/zinc/05/04/39/620050439.db2.gz BRNJXSXAXGWKKA-GDBMZVCRSA-N 2 2 295.496 3.196 20 0 CGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC000897978135 620461329 /nfs/dbraw/zinc/46/13/29/620461329.db2.gz LABNDYXSWLQSES-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902429866 621315427 /nfs/dbraw/zinc/31/54/27/621315427.db2.gz AMWNMBLURMJYRQ-TVGUXLQWSA-N 2 2 290.476 3.123 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000902432652 621315927 /nfs/dbraw/zinc/31/59/27/621315927.db2.gz IRVLQYHHOKTLPB-MJXNMMHHSA-N 2 2 296.414 3.279 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000902435859 621318404 /nfs/dbraw/zinc/31/84/04/621318404.db2.gz WCIMLQGTLFFNSE-WBQNTZJQSA-N 2 2 276.399 3.119 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902445936 621323067 /nfs/dbraw/zinc/32/30/67/621323067.db2.gz RBXOOSFTULALSA-FSPWUOQZSA-N 2 2 266.388 3.270 20 0 CGADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902473175 621324746 /nfs/dbraw/zinc/32/47/46/621324746.db2.gz TWPFLLDTJKKRNB-BRJGLHKUSA-N 2 2 256.393 3.108 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474607 621325253 /nfs/dbraw/zinc/32/52/53/621325253.db2.gz GDSCPCMQIZAXTQ-HUHANWACSA-N 2 2 256.393 3.026 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000902446682 621328779 /nfs/dbraw/zinc/32/87/79/621328779.db2.gz UWNZUOZEBDMMDP-LZLYRXPVSA-N 2 2 296.439 3.438 20 0 CGADLP Clc1ccc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902464052 621337401 /nfs/dbraw/zinc/33/74/01/621337401.db2.gz ACQAVIUBKCFKCM-JJXSEGSLSA-N 2 2 276.811 3.274 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(OC(F)F)cc1 ZINC000902467906 621339296 /nfs/dbraw/zinc/33/92/96/621339296.db2.gz RKQOLJLUEUYVQC-SPWCGHHHSA-N 2 2 296.361 3.222 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470719 621341240 /nfs/dbraw/zinc/34/12/40/621341240.db2.gz GDSCPCMQIZAXTQ-LZNONINNSA-N 2 2 256.393 3.026 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCOCC1 ZINC000902759180 621428645 /nfs/dbraw/zinc/42/86/45/621428645.db2.gz QVZHCWVOAOHJRV-QGZVFWFLSA-N 2 2 293.455 3.094 20 0 CGADLP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000902769122 621433731 /nfs/dbraw/zinc/43/37/31/621433731.db2.gz TVYUJIVZVVGROB-AEFFLSMTSA-N 2 2 299.418 3.310 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902795772 621451765 /nfs/dbraw/zinc/45/17/65/621451765.db2.gz GRUPTZPQEZAZCB-HUUCEWRRSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902975961 621508560 /nfs/dbraw/zinc/50/85/60/621508560.db2.gz LSVMRIJHNOPPAG-PBHICJAKSA-N 2 2 299.418 3.074 20 0 CGADLP CCc1ncc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000903011545 621532982 /nfs/dbraw/zinc/53/29/82/621532982.db2.gz GDEPIGCSXDFJBC-CYBMUJFWSA-N 2 2 296.374 3.274 20 0 CGADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903013970 621534337 /nfs/dbraw/zinc/53/43/37/621534337.db2.gz KURBYWSSQPDJBS-ZTFGCOKTSA-N 2 2 299.418 3.481 20 0 CGADLP CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903077519 621560050 /nfs/dbraw/zinc/56/00/50/621560050.db2.gz KTPMFEWOCRAECR-NOLJZWGESA-N 2 2 287.432 3.417 20 0 CGADLP C1CCC2(C1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000903199598 621623833 /nfs/dbraw/zinc/62/38/33/621623833.db2.gz FPIMXIAZWICOSI-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000903199598 621623838 /nfs/dbraw/zinc/62/38/38/621623838.db2.gz FPIMXIAZWICOSI-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000903244465 621636275 /nfs/dbraw/zinc/63/62/75/621636275.db2.gz VXFCXKOZRGEBCA-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000903244465 621636280 /nfs/dbraw/zinc/63/62/80/621636280.db2.gz VXFCXKOZRGEBCA-IAGOWNOFSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)CC1(C)C ZINC000903267111 621653847 /nfs/dbraw/zinc/65/38/47/621653847.db2.gz IIWXXIQUZBKFGO-CYBMUJFWSA-N 2 2 259.397 3.244 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2cccc(C3CC3)[nH+]2)CC1(C)C ZINC000903267111 621653852 /nfs/dbraw/zinc/65/38/52/621653852.db2.gz IIWXXIQUZBKFGO-CYBMUJFWSA-N 2 2 259.397 3.244 20 0 CGADLP C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1C[NH3+] ZINC000903424920 621751195 /nfs/dbraw/zinc/75/11/95/621751195.db2.gz LOBSMAOTOUBQGG-LCGIIJARSA-N 2 2 294.389 3.095 20 0 CGADLP C[C@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1C[NH3+] ZINC000903424920 621751197 /nfs/dbraw/zinc/75/11/97/621751197.db2.gz LOBSMAOTOUBQGG-LCGIIJARSA-N 2 2 294.389 3.095 20 0 CGADLP FCc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903751027 621799937 /nfs/dbraw/zinc/79/99/37/621799937.db2.gz BPHCHZPAPJUOKX-IAGOWNOFSA-N 2 2 276.399 3.263 20 0 CGADLP FCc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903751027 621799938 /nfs/dbraw/zinc/79/99/38/621799938.db2.gz BPHCHZPAPJUOKX-IAGOWNOFSA-N 2 2 276.399 3.263 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888929 621823277 /nfs/dbraw/zinc/82/32/77/621823277.db2.gz NCIKHVFBUZNXIW-HOTGVXAUSA-N 2 2 296.405 3.232 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888929 621823280 /nfs/dbraw/zinc/82/32/80/621823280.db2.gz NCIKHVFBUZNXIW-HOTGVXAUSA-N 2 2 296.405 3.232 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903893213 621827543 /nfs/dbraw/zinc/82/75/43/621827543.db2.gz SMKLFTNJJGFKOS-GOEBONIOSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903893213 621827546 /nfs/dbraw/zinc/82/75/46/621827546.db2.gz SMKLFTNJJGFKOS-GOEBONIOSA-N 2 2 282.378 3.023 20 0 CGADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000903960744 621837920 /nfs/dbraw/zinc/83/79/20/621837920.db2.gz XMONJFXBSJNAQC-MLGOLLRUSA-N 2 2 272.417 3.113 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000157354057 622899886 /nfs/dbraw/zinc/89/98/86/622899886.db2.gz XBODRMANKNDUPX-HUUCEWRRSA-N 2 2 278.415 3.221 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000232700365 623463522 /nfs/dbraw/zinc/46/35/22/623463522.db2.gz JJAYERKBBMPSHG-HUUCEWRRSA-N 2 2 266.816 3.379 20 0 CGADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000929720472 623529891 /nfs/dbraw/zinc/52/98/91/623529891.db2.gz XLAZAHPKYGRBLT-QGZVFWFLSA-N 2 2 287.451 3.006 20 0 CGADLP Cc1cc(C)nc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000929720472 623529905 /nfs/dbraw/zinc/52/99/05/623529905.db2.gz XLAZAHPKYGRBLT-QGZVFWFLSA-N 2 2 287.451 3.006 20 0 CGADLP CCCC[NH2+]C[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000915228456 623923531 /nfs/dbraw/zinc/92/35/31/623923531.db2.gz SFSAZVSPPVXJQB-QGZVFWFLSA-N 2 2 262.441 3.329 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C)cnc2Cl)CC1 ZINC000921616332 625698696 /nfs/dbraw/zinc/69/86/96/625698696.db2.gz DEGSOCPAHCTGSY-UHFFFAOYSA-N 2 2 295.858 3.398 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1c(F)cccc1F)c1ccccc1 ZINC000925478251 624452235 /nfs/dbraw/zinc/45/22/35/624452235.db2.gz ICDIQZCVIHRTCC-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP Cc1c(Cl)ccc(C[NH2+]C2CC[NH+](C)CC2)c1Cl ZINC000921498642 624923519 /nfs/dbraw/zinc/92/35/19/624923519.db2.gz JZCLKNVREBSWHV-UHFFFAOYSA-N 2 2 287.234 3.486 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000922227082 625986293 /nfs/dbraw/zinc/98/62/93/625986293.db2.gz RCMKXJXEVVRIQE-FZKCQIBNSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000922227082 625986296 /nfs/dbraw/zinc/98/62/96/625986296.db2.gz RCMKXJXEVVRIQE-FZKCQIBNSA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000922237286 625988539 /nfs/dbraw/zinc/98/85/39/625988539.db2.gz IJMRJHMITNQUSG-HZSPNIEDSA-N 2 2 270.486 3.123 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000922237286 625988541 /nfs/dbraw/zinc/98/85/41/625988541.db2.gz IJMRJHMITNQUSG-HZSPNIEDSA-N 2 2 270.486 3.123 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532492 626161447 /nfs/dbraw/zinc/16/14/47/626161447.db2.gz CXKMSOVGJANJBW-KBPBESRZSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532492 626161449 /nfs/dbraw/zinc/16/14/49/626161449.db2.gz CXKMSOVGJANJBW-KBPBESRZSA-N 2 2 272.383 3.030 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000753771422 626465204 /nfs/dbraw/zinc/46/52/04/626465204.db2.gz UKAVNXHAUBGUAD-UONOGXRCSA-N 2 2 293.455 3.461 20 0 CGADLP C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)[NH+]1CCCCC1 ZINC000765251437 627243609 /nfs/dbraw/zinc/24/36/09/627243609.db2.gz FSHUAZVPIPVBNA-RKVPGOIHSA-N 2 2 272.436 3.384 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872722 627276656 /nfs/dbraw/zinc/27/66/56/627276656.db2.gz KUQMGGWQRZQBGW-DLBZAZTESA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000765872722 627276663 /nfs/dbraw/zinc/27/66/63/627276663.db2.gz KUQMGGWQRZQBGW-DLBZAZTESA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000765873645 627276864 /nfs/dbraw/zinc/27/68/64/627276864.db2.gz OUPNREWEDBRKPR-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000765873645 627276868 /nfs/dbraw/zinc/27/68/68/627276868.db2.gz OUPNREWEDBRKPR-WMZOPIPTSA-N 2 2 270.420 3.056 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000766271920 627309550 /nfs/dbraw/zinc/30/95/50/627309550.db2.gz WHZSJXPAMJYOAJ-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000766271920 627309554 /nfs/dbraw/zinc/30/95/54/627309554.db2.gz WHZSJXPAMJYOAJ-MLGOLLRUSA-N 2 2 278.827 3.401 20 0 CGADLP CC1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000773037963 627845867 /nfs/dbraw/zinc/84/58/67/627845867.db2.gz HBQOVKRALDEUNT-UHFFFAOYSA-N 2 2 287.451 3.110 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C(C)C)cc2)CC1 ZINC000776804249 628233711 /nfs/dbraw/zinc/23/37/11/628233711.db2.gz DXCBHYBRAAXYPA-HNNXBMFYSA-N 2 2 275.440 3.285 20 0 CGADLP CC(C)(C)OC1CC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000779018790 628383439 /nfs/dbraw/zinc/38/34/39/628383439.db2.gz HCZJRLIARFDYQQ-YMAMQOFZSA-N 2 2 293.455 3.234 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H](C)C2 ZINC000779071929 628386395 /nfs/dbraw/zinc/38/63/95/628386395.db2.gz HLUAAPSEFPPWTC-RVKKMQEKSA-N 2 2 272.436 3.302 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H](C)C2 ZINC000779071929 628386398 /nfs/dbraw/zinc/38/63/98/628386398.db2.gz HLUAAPSEFPPWTC-RVKKMQEKSA-N 2 2 272.436 3.302 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302178 628480131 /nfs/dbraw/zinc/48/01/31/628480131.db2.gz FCENGBMPKQSQJE-HZPDHXFCSA-N 2 2 281.403 3.319 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCc4ccccc43)C2)[nH]1 ZINC000780302178 628480133 /nfs/dbraw/zinc/48/01/33/628480133.db2.gz FCENGBMPKQSQJE-HZPDHXFCSA-N 2 2 281.403 3.319 20 0 CGADLP CC1=CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000788639499 629070680 /nfs/dbraw/zinc/07/06/80/629070680.db2.gz PKMZQMMMXSYRGS-MRXNPFEDSA-N 2 2 267.376 3.461 20 0 CGADLP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000863548527 629603036 /nfs/dbraw/zinc/60/30/36/629603036.db2.gz YVFUYBAWKDRYAF-BXUZGUMPSA-N 2 2 293.361 3.267 20 0 CGADLP COc1ccccc1-c1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000863651268 629632645 /nfs/dbraw/zinc/63/26/45/629632645.db2.gz FURQKWHEDYIHLV-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccccc1-c1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000863651268 629632657 /nfs/dbraw/zinc/63/26/57/629632657.db2.gz FURQKWHEDYIHLV-CQSZACIVSA-N 2 2 284.403 3.141 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000102419861 634752079 /nfs/dbraw/zinc/75/20/79/634752079.db2.gz CHTBITAGLGYVHO-OKACTXMXSA-N 2 2 258.409 3.164 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000102419861 634752081 /nfs/dbraw/zinc/75/20/81/634752081.db2.gz CHTBITAGLGYVHO-OKACTXMXSA-N 2 2 258.409 3.164 20 0 CGADLP Cl/C=C\C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438300 629780999 /nfs/dbraw/zinc/78/09/99/629780999.db2.gz UVEYLKCHYNUYSS-INDRUJQFSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796438300 629781001 /nfs/dbraw/zinc/78/10/01/629781001.db2.gz UVEYLKCHYNUYSS-INDRUJQFSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796438300 629781003 /nfs/dbraw/zinc/78/10/03/629781003.db2.gz UVEYLKCHYNUYSS-INDRUJQFSA-N 2 2 290.838 3.337 20 0 CGADLP Cl/C=C\C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438300 629781007 /nfs/dbraw/zinc/78/10/07/629781007.db2.gz UVEYLKCHYNUYSS-INDRUJQFSA-N 2 2 290.838 3.337 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592498 629966322 /nfs/dbraw/zinc/96/63/22/629966322.db2.gz ZUYADYKIUBITGJ-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592498 629966326 /nfs/dbraw/zinc/96/63/26/629966326.db2.gz ZUYADYKIUBITGJ-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592498 629966330 /nfs/dbraw/zinc/96/63/30/629966330.db2.gz ZUYADYKIUBITGJ-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592498 629966334 /nfs/dbraw/zinc/96/63/34/629966334.db2.gz ZUYADYKIUBITGJ-UKRRQHHQSA-N 2 2 295.858 3.348 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000865573235 630195290 /nfs/dbraw/zinc/19/52/90/630195290.db2.gz DHIXSVNLSICPSQ-AWEZNQCLSA-N 2 2 299.418 3.234 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000800242927 630256049 /nfs/dbraw/zinc/25/60/49/630256049.db2.gz JXIGMRGTAHAXSM-RYRKJORJSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000800242927 630256052 /nfs/dbraw/zinc/25/60/52/630256052.db2.gz JXIGMRGTAHAXSM-RYRKJORJSA-N 2 2 287.451 3.182 20 0 CGADLP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cnc1Cl ZINC000809704557 630786813 /nfs/dbraw/zinc/78/68/13/630786813.db2.gz CCVPRSCEBYDTLZ-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cnc1Cl ZINC000809704557 630786817 /nfs/dbraw/zinc/78/68/17/630786817.db2.gz CCVPRSCEBYDTLZ-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Cl ZINC000809704557 630786820 /nfs/dbraw/zinc/78/68/20/630786820.db2.gz CCVPRSCEBYDTLZ-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1Cl ZINC000809704557 630786826 /nfs/dbraw/zinc/78/68/26/630786826.db2.gz CCVPRSCEBYDTLZ-YIONKMFJSA-N 2 2 293.842 3.100 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815554142 631793808 /nfs/dbraw/zinc/79/38/08/631793808.db2.gz SPICUONQPRKYAT-DZGCQCFKSA-N 2 2 264.388 3.269 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815554142 631793813 /nfs/dbraw/zinc/79/38/13/631793813.db2.gz SPICUONQPRKYAT-DZGCQCFKSA-N 2 2 264.388 3.269 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815554145 631794022 /nfs/dbraw/zinc/79/40/22/631794022.db2.gz SPICUONQPRKYAT-ZFWWWQNUSA-N 2 2 264.388 3.269 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815554145 631794030 /nfs/dbraw/zinc/79/40/30/631794030.db2.gz SPICUONQPRKYAT-ZFWWWQNUSA-N 2 2 264.388 3.269 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccnc1Cl ZINC000817986500 632274360 /nfs/dbraw/zinc/27/43/60/632274360.db2.gz QQXQZZSFYSVXHM-RYUDHWBXSA-N 2 2 279.815 3.060 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(F)c1 ZINC000818196598 632296191 /nfs/dbraw/zinc/29/61/91/632296191.db2.gz UCXKJHUVJPHOHF-UHFFFAOYSA-N 2 2 290.386 3.277 20 0 CGADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[NH+](C)C ZINC000866259830 633048792 /nfs/dbraw/zinc/04/87/92/633048792.db2.gz QIMMHPKJFQVHKT-CABCVRRESA-N 2 2 285.435 3.096 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000866350857 633092826 /nfs/dbraw/zinc/09/28/26/633092826.db2.gz DKJCRNAQPGOYSM-WBVHZDCISA-N 2 2 289.467 3.113 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000866350857 633092831 /nfs/dbraw/zinc/09/28/31/633092831.db2.gz DKJCRNAQPGOYSM-WBVHZDCISA-N 2 2 289.467 3.113 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000866361193 633101379 /nfs/dbraw/zinc/10/13/79/633101379.db2.gz KXZSLILVBMCKON-YRILPIOLSA-N 2 2 299.393 3.319 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000823724393 633145385 /nfs/dbraw/zinc/14/53/85/633145385.db2.gz YDXXDKQZLMZLLO-YJBOKZPZSA-N 2 2 283.419 3.056 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000824098734 633194940 /nfs/dbraw/zinc/19/49/40/633194940.db2.gz MYMWOOBCSPUJNE-OLZOCXBDSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000824098734 633194946 /nfs/dbraw/zinc/19/49/46/633194946.db2.gz MYMWOOBCSPUJNE-OLZOCXBDSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@]1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1(Cl)Cl ZINC000828006501 633547806 /nfs/dbraw/zinc/54/78/06/633547806.db2.gz STWUOZXBMNVPMR-LBPRGKRZSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(O)ccc1F ZINC000872046829 633969235 /nfs/dbraw/zinc/96/92/35/633969235.db2.gz MPWJPBHGMYALLS-GFCCVEGCSA-N 2 2 294.414 3.445 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)CC ZINC000872087588 634013439 /nfs/dbraw/zinc/01/34/39/634013439.db2.gz FQFRUXMAQPRHDE-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872088350 634014427 /nfs/dbraw/zinc/01/44/27/634014427.db2.gz QEMQZAMLZRASDB-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCCOC1 ZINC000872088350 634014431 /nfs/dbraw/zinc/01/44/31/634014431.db2.gz QEMQZAMLZRASDB-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000834526774 634176357 /nfs/dbraw/zinc/17/63/57/634176357.db2.gz PABRVLZWGWJDGH-HOTGVXAUSA-N 2 2 286.423 3.434 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834607026 634197432 /nfs/dbraw/zinc/19/74/32/634197432.db2.gz NWOAHILXPKEJTB-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834607026 634197433 /nfs/dbraw/zinc/19/74/33/634197433.db2.gz NWOAHILXPKEJTB-CJNGLKHVSA-N 2 2 250.430 3.029 20 0 CGADLP c1cnc2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000873134123 634254238 /nfs/dbraw/zinc/25/42/38/634254238.db2.gz XPIKQVAGUOJXLQ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000873134123 634254243 /nfs/dbraw/zinc/25/42/43/634254243.db2.gz XPIKQVAGUOJXLQ-RBUKOAKNSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000019913245 634375783 /nfs/dbraw/zinc/37/57/83/634375783.db2.gz WWUNTKLXFYZGIA-MRXNPFEDSA-N 2 2 283.419 3.254 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000019913245 634375787 /nfs/dbraw/zinc/37/57/87/634375787.db2.gz WWUNTKLXFYZGIA-MRXNPFEDSA-N 2 2 283.419 3.254 20 0 CGADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620192 634870080 /nfs/dbraw/zinc/87/00/80/634870080.db2.gz KXHWQABLXAGWCK-KRWDZBQOSA-N 2 2 283.419 3.449 20 0 CGADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876620192 634870085 /nfs/dbraw/zinc/87/00/85/634870085.db2.gz KXHWQABLXAGWCK-KRWDZBQOSA-N 2 2 283.419 3.449 20 0 CGADLP ClC1(Cl)C[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000876967181 634940254 /nfs/dbraw/zinc/94/02/54/634940254.db2.gz CRXRVZOGWXMJKD-LBPRGKRZSA-N 2 2 296.201 3.156 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000877650848 635131307 /nfs/dbraw/zinc/13/13/07/635131307.db2.gz OLAFXOZWXZZRLA-YPMHNXCESA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000877650848 635131310 /nfs/dbraw/zinc/13/13/10/635131310.db2.gz OLAFXOZWXZZRLA-YPMHNXCESA-N 2 2 291.266 3.177 20 0 CGADLP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)nc1Cl ZINC000878135444 635374085 /nfs/dbraw/zinc/37/40/85/635374085.db2.gz KVCPAYOQTBZLIZ-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)nc1Cl ZINC000878135444 635374091 /nfs/dbraw/zinc/37/40/91/635374091.db2.gz KVCPAYOQTBZLIZ-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)nc1Cl ZINC000878135444 635374099 /nfs/dbraw/zinc/37/40/99/635374099.db2.gz KVCPAYOQTBZLIZ-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)nc1Cl ZINC000878135444 635374104 /nfs/dbraw/zinc/37/41/04/635374104.db2.gz KVCPAYOQTBZLIZ-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP CC1(C)C[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000878172779 635392625 /nfs/dbraw/zinc/39/26/25/635392625.db2.gz MDOGAUFIKJPYIX-CQSZACIVSA-N 2 2 291.439 3.183 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878239486 635426438 /nfs/dbraw/zinc/42/64/38/635426438.db2.gz HXJSIMBBGNPUGH-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878239486 635426443 /nfs/dbraw/zinc/42/64/43/635426443.db2.gz HXJSIMBBGNPUGH-KBPBESRZSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569199 636022504 /nfs/dbraw/zinc/02/25/04/636022504.db2.gz JOLLCQMAJJAHID-ZBFHGGJFSA-N 2 2 257.381 3.260 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000883162067 636560953 /nfs/dbraw/zinc/56/09/53/636560953.db2.gz JDCZFPNEMXNYBI-HUUCEWRRSA-N 2 2 293.842 3.029 20 0 CGADLP Nc1c(Cl)cccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000883162067 636560956 /nfs/dbraw/zinc/56/09/56/636560956.db2.gz JDCZFPNEMXNYBI-HUUCEWRRSA-N 2 2 293.842 3.029 20 0 CGADLP CCc1cc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)nc(C)[nH+]1 ZINC000884707337 637132988 /nfs/dbraw/zinc/13/29/88/637132988.db2.gz HHBAZOMNYITEFO-UHFFFAOYSA-N 2 2 299.422 3.071 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923283 637313440 /nfs/dbraw/zinc/31/34/40/637313440.db2.gz VUFWNWAPTYDQEU-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923283 637313448 /nfs/dbraw/zinc/31/34/48/637313448.db2.gz VUFWNWAPTYDQEU-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP Clc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)nc1 ZINC000885967373 637336658 /nfs/dbraw/zinc/33/66/58/637336658.db2.gz NCZNAGRNSPMVSY-UHFFFAOYSA-N 2 2 290.798 3.112 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502507 637386365 /nfs/dbraw/zinc/38/63/65/637386365.db2.gz ZBGQQKOLFBWNMZ-MAUKXSAKSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502507 637386376 /nfs/dbraw/zinc/38/63/76/637386376.db2.gz ZBGQQKOLFBWNMZ-MAUKXSAKSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)cn1)[NH+]1CCCCC1 ZINC000886062702 637396568 /nfs/dbraw/zinc/39/65/68/637396568.db2.gz VJHFDSTXLUVOHM-ZDUSSCGKSA-N 2 2 281.831 3.089 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000886162079 637442752 /nfs/dbraw/zinc/44/27/52/637442752.db2.gz FGWQQHHHUCGTPS-GVDBMIGSSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000886162078 637443271 /nfs/dbraw/zinc/44/32/71/637443271.db2.gz FGWQQHHHUCGTPS-BRWVUGGUSA-N 2 2 282.472 3.044 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000886707565 637666945 /nfs/dbraw/zinc/66/69/45/637666945.db2.gz LLJNTELAGGVBRS-UHFFFAOYSA-N 2 2 276.399 3.276 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000924852023 638413753 /nfs/dbraw/zinc/41/37/53/638413753.db2.gz HDPIJEFJGXJWJL-RISCZKNCSA-N 2 2 281.831 3.042 20 0 CGADLP CC[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000925058158 638445153 /nfs/dbraw/zinc/44/51/53/638445153.db2.gz RQVGNOQJXXNHNM-INMHGKMJSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc2ncsc2c1 ZINC000925641617 638553964 /nfs/dbraw/zinc/55/39/64/638553964.db2.gz CARKELGDTMVMLO-ABAIWWIYSA-N 2 2 287.432 3.232 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000925663684 638561720 /nfs/dbraw/zinc/56/17/20/638561720.db2.gz WLKMXJQAMXKCPN-IFXJQAMLSA-N 2 2 293.414 3.389 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000925665431 638561888 /nfs/dbraw/zinc/56/18/88/638561888.db2.gz KJCYUBVRNLJFDY-ZYHUDNBSSA-N 2 2 274.330 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925787888 638613622 /nfs/dbraw/zinc/61/36/22/638613622.db2.gz WJEYDJDXAZFUOP-QWQRMKEZSA-N 2 2 281.403 3.007 20 0 CGADLP CCC[C@@H](C)CCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000858346372 638689009 /nfs/dbraw/zinc/68/90/09/638689009.db2.gz LWLBNLAVZIOSNE-CABCVRRESA-N 2 2 251.418 3.468 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858398023 638702538 /nfs/dbraw/zinc/70/25/38/638702538.db2.gz PVTXMXWDQYXIIY-CQSZACIVSA-N 2 2 261.413 3.037 20 0 CGADLP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858398023 638702544 /nfs/dbraw/zinc/70/25/44/638702544.db2.gz PVTXMXWDQYXIIY-CQSZACIVSA-N 2 2 261.413 3.037 20 0 CGADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926472494 638774960 /nfs/dbraw/zinc/77/49/60/638774960.db2.gz JWWCWIRWSRFRIB-LPHOPBHVSA-N 2 2 297.446 3.267 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000926582545 638787572 /nfs/dbraw/zinc/78/75/72/638787572.db2.gz AFDQRHSYHZVGHU-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000926582545 638787574 /nfs/dbraw/zinc/78/75/74/638787574.db2.gz AFDQRHSYHZVGHU-XQQFMLRXSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000926805446 638814158 /nfs/dbraw/zinc/81/41/58/638814158.db2.gz UKPLTQRXKAIFFC-ATLSCFEFSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000926805446 638814159 /nfs/dbraw/zinc/81/41/59/638814159.db2.gz UKPLTQRXKAIFFC-ATLSCFEFSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]([NH2+]C/C=C/Cl)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887626 640211349 /nfs/dbraw/zinc/21/13/49/640211349.db2.gz LGXNEMNBRCYXQP-MJRJWQSSSA-N 2 2 261.756 3.275 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000094965516 640806254 /nfs/dbraw/zinc/80/62/54/640806254.db2.gz DZHQGKDLXARIEM-LBPRGKRZSA-N 2 2 293.480 3.015 20 0 CGADLP CC(C)(C)c1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000094965516 640806261 /nfs/dbraw/zinc/80/62/61/640806261.db2.gz DZHQGKDLXARIEM-LBPRGKRZSA-N 2 2 293.480 3.015 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1(C)C ZINC000250587457 640814673 /nfs/dbraw/zinc/81/46/73/640814673.db2.gz ZWMCIFJIVCEKMM-RBSFLKMASA-N 2 2 293.455 3.091 20 0 CGADLP Clc1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252591307 640855205 /nfs/dbraw/zinc/85/52/05/640855205.db2.gz DMJJPOMUUDTTHH-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252591307 640855207 /nfs/dbraw/zinc/85/52/07/640855207.db2.gz DMJJPOMUUDTTHH-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000097928062 640882655 /nfs/dbraw/zinc/88/26/55/640882655.db2.gz XEXHNEXZYZDARW-ARFHVFGLSA-N 2 2 264.457 3.419 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000420413624 640911516 /nfs/dbraw/zinc/91/15/16/640911516.db2.gz ZQUCZLOVNWNQHS-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000420413624 640911517 /nfs/dbraw/zinc/91/15/17/640911517.db2.gz ZQUCZLOVNWNQHS-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)C(C)(C)c1ccnc(Cl)c1 ZINC001157466793 805818638 /nfs/dbraw/zinc/81/86/38/805818638.db2.gz BYEMFGJTUUXUSL-UHFFFAOYSA-N 2 2 292.814 3.189 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)C(C)(C)c1ccnc(Cl)c1 ZINC001157466793 805818647 /nfs/dbraw/zinc/81/86/47/805818647.db2.gz BYEMFGJTUUXUSL-UHFFFAOYSA-N 2 2 292.814 3.189 20 0 CGADLP CCC[NH+]1C[C@@H]2CN(c3ccc(C(C)(C)C)c[nH+]3)C[C@H]2C1 ZINC001157700131 805855405 /nfs/dbraw/zinc/85/54/05/805855405.db2.gz OCKXIIVQNZGQGN-HUUCEWRRSA-N 2 2 287.451 3.157 20 0 CGADLP COc1cc(C)c[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264549 805931143 /nfs/dbraw/zinc/93/11/43/805931143.db2.gz JQSKKHHKEYQPQC-CXAGYDPISA-N 2 2 291.439 3.354 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC001252004209 805971979 /nfs/dbraw/zinc/97/19/79/805971979.db2.gz VQZLKINOVSTCFD-OALUTQOASA-N 2 2 298.430 3.003 20 0 CGADLP CC(C)c1cccc(Nc2ccc(N3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159200954 806059684 /nfs/dbraw/zinc/05/96/84/806059684.db2.gz XVCDSINHIAECTQ-UHFFFAOYSA-N 2 2 296.418 3.358 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC001252638106 806096117 /nfs/dbraw/zinc/09/61/17/806096117.db2.gz MCHPDBDTTNYDOP-INIZCTEOSA-N 2 2 285.366 3.416 20 0 CGADLP c1cn(-c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2)c[nH+]1 ZINC001159429908 806101238 /nfs/dbraw/zinc/10/12/38/806101238.db2.gz HQMRJSPJPHSBPQ-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(C[NH3+])c1 ZINC001159649716 806142203 /nfs/dbraw/zinc/14/22/03/806142203.db2.gz QMRLMPAXAZVICD-UHFFFAOYSA-N 2 2 253.349 3.470 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001160371832 806263664 /nfs/dbraw/zinc/26/36/64/806263664.db2.gz IQJGUCLITWQGLT-UHFFFAOYSA-N 2 2 267.376 3.490 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001160371832 806263669 /nfs/dbraw/zinc/26/36/69/806263669.db2.gz IQJGUCLITWQGLT-UHFFFAOYSA-N 2 2 267.376 3.490 20 0 CGADLP Cc1cc2[nH]ccc2c(-n2ccc3cccc(C[NH3+])c32)[nH+]1 ZINC001160456442 806273641 /nfs/dbraw/zinc/27/36/41/806273641.db2.gz JXPSHJYHWLKHSC-UHFFFAOYSA-N 2 2 276.343 3.274 20 0 CGADLP FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC001160735778 806299469 /nfs/dbraw/zinc/29/94/69/806299469.db2.gz JAZWFKWDNSPLJJ-STQMWFEESA-N 2 2 295.308 3.187 20 0 CGADLP COc1ccc2[nH+]c(NCC[C@H]3CCC[N@@H+]3C)cc(C)c2c1 ZINC001160964936 806331553 /nfs/dbraw/zinc/33/15/53/806331553.db2.gz SYHXUIKSTGZLEZ-CQSZACIVSA-N 2 2 299.418 3.448 20 0 CGADLP COc1ccc2[nH+]c(NCC[C@H]3CCC[N@H+]3C)cc(C)c2c1 ZINC001160964936 806331561 /nfs/dbraw/zinc/33/15/61/806331561.db2.gz SYHXUIKSTGZLEZ-CQSZACIVSA-N 2 2 299.418 3.448 20 0 CGADLP c1cn(C2CCC3(CC3)CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001254445096 806401953 /nfs/dbraw/zinc/40/19/53/806401953.db2.gz GRBWGRAZOXFAAS-ZDUSSCGKSA-N 2 2 259.397 3.245 20 0 CGADLP C[NH+](C)CCNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001161672935 806413294 /nfs/dbraw/zinc/41/32/94/806413294.db2.gz OVSRITDDXGHBCH-UHFFFAOYSA-N 2 2 280.375 3.203 20 0 CGADLP Nc1[nH+]ccc(F)c1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005583 806498568 /nfs/dbraw/zinc/49/85/68/806498568.db2.gz TZVSLDQXXMFZET-UHFFFAOYSA-N 2 2 296.349 3.053 20 0 CGADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC001255035189 806531926 /nfs/dbraw/zinc/53/19/26/806531926.db2.gz COERHNKOFDEWLV-RBUKOAKNSA-N 2 2 296.414 3.196 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)on1 ZINC001255383928 806629729 /nfs/dbraw/zinc/62/97/29/806629729.db2.gz PZWCAZHBRZOUEE-KRWDZBQOSA-N 2 2 299.418 3.127 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)on1 ZINC001255383928 806629734 /nfs/dbraw/zinc/62/97/34/806629734.db2.gz PZWCAZHBRZOUEE-KRWDZBQOSA-N 2 2 299.418 3.127 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccco1 ZINC000037156623 798861877 /nfs/dbraw/zinc/86/18/77/798861877.db2.gz XRSRLUUDYNCSKT-GXTWGEPZSA-N 2 2 261.369 3.242 20 0 CGADLP CCCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037320105 798866464 /nfs/dbraw/zinc/86/64/64/798866464.db2.gz SYSMPSPXUPYQCZ-UONOGXRCSA-N 2 2 251.418 3.466 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255725193 806719884 /nfs/dbraw/zinc/71/98/84/806719884.db2.gz VTLLHXBIXMHNET-STQMWFEESA-N 2 2 289.345 3.326 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255725193 806719888 /nfs/dbraw/zinc/71/98/88/806719888.db2.gz VTLLHXBIXMHNET-STQMWFEESA-N 2 2 289.345 3.326 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000380987290 799370366 /nfs/dbraw/zinc/37/03/66/799370366.db2.gz GVAPSQJFADMEKF-LXTVHRRPSA-N 2 2 261.413 3.076 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)c[nH]c21 ZINC000381760322 799387805 /nfs/dbraw/zinc/38/78/05/799387805.db2.gz OONJSZIBWDSHTK-LRDDRELGSA-N 2 2 271.408 3.042 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)c[nH]c21 ZINC000381760322 799387809 /nfs/dbraw/zinc/38/78/09/799387809.db2.gz OONJSZIBWDSHTK-LRDDRELGSA-N 2 2 271.408 3.042 20 0 CGADLP C[C@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+]1CCCCC1 ZINC000388125157 799450653 /nfs/dbraw/zinc/45/06/53/799450653.db2.gz KVTPINLGKKLMKB-CQSZACIVSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001255781585 806748625 /nfs/dbraw/zinc/74/86/25/806748625.db2.gz PPCFCVFPZNQTDQ-WMZOPIPTSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001255781585 806748630 /nfs/dbraw/zinc/74/86/30/806748630.db2.gz PPCFCVFPZNQTDQ-WMZOPIPTSA-N 2 2 274.452 3.246 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501304 799463851 /nfs/dbraw/zinc/46/38/51/799463851.db2.gz CCINKYQAEHYNBC-ILXRZTDVSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000389501304 799463855 /nfs/dbraw/zinc/46/38/55/799463855.db2.gz CCINKYQAEHYNBC-ILXRZTDVSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394455678 799496926 /nfs/dbraw/zinc/49/69/26/799496926.db2.gz NYSVGFUDQQQYAU-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OCc2ccccc2)c1 ZINC000394455678 799496929 /nfs/dbraw/zinc/49/69/29/799496929.db2.gz NYSVGFUDQQQYAU-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP CC[N@H+]([C@H](C)Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001255791197 806753730 /nfs/dbraw/zinc/75/37/30/806753730.db2.gz BCDKFPSHTSXVFI-MRXNPFEDSA-N 2 2 274.452 3.342 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001255791197 806753737 /nfs/dbraw/zinc/75/37/37/806753737.db2.gz BCDKFPSHTSXVFI-MRXNPFEDSA-N 2 2 274.452 3.342 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956080 799533431 /nfs/dbraw/zinc/53/34/31/799533431.db2.gz IHCJOZOLFUNKSB-LALPHHSUSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398956080 799533436 /nfs/dbraw/zinc/53/34/36/799533436.db2.gz IHCJOZOLFUNKSB-LALPHHSUSA-N 2 2 266.816 3.473 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000405767264 799587158 /nfs/dbraw/zinc/58/71/58/799587158.db2.gz LQVOXKKSIZVYTO-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000405767264 799587164 /nfs/dbraw/zinc/58/71/64/799587164.db2.gz LQVOXKKSIZVYTO-SFHVURJKSA-N 2 2 266.388 3.277 20 0 CGADLP CCC[N@H+](Cc1ccc(OCC(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000470002555 799646728 /nfs/dbraw/zinc/64/67/28/799646728.db2.gz GRRPERDDAKYNNP-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CCC[N@@H+](Cc1ccc(OCC(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000470002555 799646731 /nfs/dbraw/zinc/64/67/31/799646731.db2.gz GRRPERDDAKYNNP-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001255854287 806769939 /nfs/dbraw/zinc/76/99/39/806769939.db2.gz PJTJEJIACPNRNR-CQSZACIVSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001255854287 806769942 /nfs/dbraw/zinc/76/99/42/806769942.db2.gz PJTJEJIACPNRNR-CQSZACIVSA-N 2 2 290.426 3.315 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+]1CCCCC1 ZINC000694329771 799821737 /nfs/dbraw/zinc/82/17/37/799821737.db2.gz LKTSUUQUYSTPFE-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCCCCC1 ZINC001255884103 806782732 /nfs/dbraw/zinc/78/27/32/806782732.db2.gz SOJGWJHEYBVGQT-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000700542700 799872549 /nfs/dbraw/zinc/87/25/49/799872549.db2.gz YECYOUYTVIFKCE-HIFRSBDPSA-N 2 2 253.349 3.242 20 0 CGADLP Cc1csc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000701910345 799897963 /nfs/dbraw/zinc/89/79/63/799897963.db2.gz LSRFZVBUSNTQHH-OLZOCXBDSA-N 2 2 292.452 3.414 20 0 CGADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000708848590 799996740 /nfs/dbraw/zinc/99/67/40/799996740.db2.gz YTAXIPNPRNXKBC-CQSZACIVSA-N 2 2 274.399 3.261 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(F)c(C)c1F ZINC001255948226 806794320 /nfs/dbraw/zinc/79/43/20/806794320.db2.gz HNFLTIAPDDZFPA-LBPRGKRZSA-N 2 2 284.394 3.483 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CC(c2ccccc2)C1 ZINC001255966510 806801380 /nfs/dbraw/zinc/80/13/80/806801380.db2.gz LGHSBUFQGDDWEY-OAHLLOKOSA-N 2 2 260.425 3.206 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2c(F)cccc2C1 ZINC001255968300 806802556 /nfs/dbraw/zinc/80/25/56/806802556.db2.gz XGDWUTRGKPYWMY-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2c(F)cccc2C1 ZINC001255968300 806802563 /nfs/dbraw/zinc/80/25/63/806802563.db2.gz XGDWUTRGKPYWMY-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC1(C)CC[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716267778 800166328 /nfs/dbraw/zinc/16/63/28/800166328.db2.gz FETFZYBGSLZVJQ-KRWDZBQOSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(CF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256519920 806909815 /nfs/dbraw/zinc/90/98/15/806909815.db2.gz HEQYXVXKFMGECZ-GDBMZVCRSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(CF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256519920 806909818 /nfs/dbraw/zinc/90/98/18/806909818.db2.gz HEQYXVXKFMGECZ-GDBMZVCRSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@]1(C[NH3+])CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC001164241307 806921481 /nfs/dbraw/zinc/92/14/81/806921481.db2.gz BXUKAJDVBXUYDI-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001256680251 806946848 /nfs/dbraw/zinc/94/68/48/806946848.db2.gz SRUZCBCXDSTRRN-GOSISDBHSA-N 2 2 290.451 3.180 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH]n1 ZINC001116075223 802297829 /nfs/dbraw/zinc/29/78/29/802297829.db2.gz CHHALPVWNLPSOD-OAHLLOKOSA-N 2 2 298.434 3.033 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001116694087 802397419 /nfs/dbraw/zinc/39/74/19/802397419.db2.gz HNFQCARHQZEFPH-TZMCWYRMSA-N 2 2 289.810 3.072 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C/C3CC3)CC2)cc1 ZINC001117745419 802486227 /nfs/dbraw/zinc/48/62/27/802486227.db2.gz NMFPDZRACHWLIV-ONEGZZNKSA-N 2 2 299.462 3.277 20 0 CGADLP Cc1[nH+]cc2n1CCN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001165386856 807000838 /nfs/dbraw/zinc/00/08/38/807000838.db2.gz CSAUOZNIMLUNEQ-UHFFFAOYSA-N 2 2 278.359 3.068 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206809943 813444063 /nfs/dbraw/zinc/44/40/63/813444063.db2.gz MMCXRZBAQMYBKR-ZYHUDNBSSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206809943 813444066 /nfs/dbraw/zinc/44/40/66/813444066.db2.gz MMCXRZBAQMYBKR-ZYHUDNBSSA-N 2 2 284.806 3.347 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc(C)cn3cc[nH+]c23)c1F ZINC001244860462 803552410 /nfs/dbraw/zinc/55/24/10/803552410.db2.gz OEEGJLLCYAHYOJ-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP CNc1cc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)cc[nH+]1 ZINC001244972515 803597668 /nfs/dbraw/zinc/59/76/68/803597668.db2.gz GTIVELKQZAPKII-UHFFFAOYSA-N 2 2 293.414 3.358 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1cccc2c1CC[NH2+]C2 ZINC001245196657 803661182 /nfs/dbraw/zinc/66/11/82/803661182.db2.gz KICZGGVSDVJVSX-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP COc1c(C)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001245362131 803713739 /nfs/dbraw/zinc/71/37/39/803713739.db2.gz MVLJQIYMSDRPBW-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)n1 ZINC001138284889 803889266 /nfs/dbraw/zinc/88/92/66/803889266.db2.gz HUZJIYGOKVUHSZ-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)(C)C)n1 ZINC001138284889 803889274 /nfs/dbraw/zinc/88/92/74/803889274.db2.gz HUZJIYGOKVUHSZ-UHFFFAOYSA-N 2 2 293.455 3.033 20 0 CGADLP C[N@H+](Cc1c(Cl)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001138684819 804004787 /nfs/dbraw/zinc/00/47/87/804004787.db2.gz QVOIRQJOOIZNHL-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP C[N@@H+](Cc1c(Cl)[nH]c2ccccc21)C1CC[NH+](C)CC1 ZINC001138684819 804004794 /nfs/dbraw/zinc/00/47/94/804004794.db2.gz QVOIRQJOOIZNHL-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245895970 804021981 /nfs/dbraw/zinc/02/19/81/804021981.db2.gz IHFHJCRYTWZSSC-UHFFFAOYSA-N 2 2 274.327 3.402 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccccc2)cc1 ZINC001246078076 804115986 /nfs/dbraw/zinc/11/59/86/804115986.db2.gz GAOXCBPVIXJGKB-HNAYVOBHSA-N 2 2 282.431 3.470 20 0 CGADLP CC[C@H]1CC[C@H](C2CCC([NH2+][C@@H]3COC[C@@H]3[NH3+])CC2)CC1 ZINC001246122938 804152709 /nfs/dbraw/zinc/15/27/09/804152709.db2.gz SWIACMRMAWHIDU-TZMXRXOCSA-N 2 2 294.483 3.077 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)c1Cl ZINC001246157732 804173864 /nfs/dbraw/zinc/17/38/64/804173864.db2.gz DCFZMMSEVQTGKJ-GHMZBOCLSA-N 2 2 284.806 3.406 20 0 CGADLP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361655 804183816 /nfs/dbraw/zinc/18/38/16/804183816.db2.gz VPEFQHPRBGNWBJ-JWTNVVGKSA-N 2 2 297.402 3.014 20 0 CGADLP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361655 804183818 /nfs/dbraw/zinc/18/38/18/804183818.db2.gz VPEFQHPRBGNWBJ-JWTNVVGKSA-N 2 2 297.402 3.014 20 0 CGADLP C[C@H]1CC([NH2+]CC[NH2+]Cc2ccccc2)C[C@H](C)C1 ZINC001246170006 804183957 /nfs/dbraw/zinc/18/39/57/804183957.db2.gz KNSDOKWMXHHVSH-HUUCEWRRSA-N 2 2 260.425 3.191 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC001246170775 804186567 /nfs/dbraw/zinc/18/65/67/804186567.db2.gz SVPMRIFOELIKRP-GJZGRUSLSA-N 2 2 278.465 3.207 20 0 CGADLP CCCC[C@H](CC)[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F ZINC001246195452 804203822 /nfs/dbraw/zinc/20/38/22/804203822.db2.gz SIBUENDALTVLDY-STQMWFEESA-N 2 2 280.378 3.475 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)C1 ZINC001246196452 804203883 /nfs/dbraw/zinc/20/38/83/804203883.db2.gz XICLJPYYCOKOOH-UVLXDEKHSA-N 2 2 292.389 3.331 20 0 CGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001139592946 804217459 /nfs/dbraw/zinc/21/74/59/804217459.db2.gz KCXMMNSQFDKULT-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001139592946 804217466 /nfs/dbraw/zinc/21/74/66/804217466.db2.gz KCXMMNSQFDKULT-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP Cc1c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cccc1C(F)(F)F ZINC001246231762 804225614 /nfs/dbraw/zinc/22/56/14/804225614.db2.gz GNYXYESIYAYUIH-GWCFXTLKSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)C[NH2+]1 ZINC001246240546 804231441 /nfs/dbraw/zinc/23/14/41/804231441.db2.gz QHDRWXPMUIABBD-FZMZJTMJSA-N 2 2 260.406 3.131 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc32)CC[NH2+]1 ZINC001246276546 804253509 /nfs/dbraw/zinc/25/35/09/804253509.db2.gz BYDJSTUVLPOISL-IIAWOOMASA-N 2 2 292.398 3.160 20 0 CGADLP CC[C@@H]1CC([NH2+][C@H]2COc3ccc(F)cc32)C[C@@H](CC)[NH2+]1 ZINC001246278592 804255206 /nfs/dbraw/zinc/25/52/06/804255206.db2.gz LKGIORHQWVCNOB-IOASZLSFSA-N 2 2 292.398 3.158 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C[NH2+]1 ZINC001246295117 804264750 /nfs/dbraw/zinc/26/47/50/804264750.db2.gz XOYVYGNOZCBQKK-XFBWCDHKSA-N 2 2 262.372 3.007 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC001246313169 804274923 /nfs/dbraw/zinc/27/49/23/804274923.db2.gz DREDYKAFTUXFIG-VBNZEHGJSA-N 2 2 264.388 3.253 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[NH2+]CCC2(C)C)cc1 ZINC001246324616 804281677 /nfs/dbraw/zinc/28/16/77/804281677.db2.gz GDOCYJPQGPCSLE-HOCLYGCPSA-N 2 2 292.492 3.453 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246328751 804284162 /nfs/dbraw/zinc/28/41/62/804284162.db2.gz ZIJICGFXPBCUCE-LZWOXQAQSA-N 2 2 278.465 3.206 20 0 CGADLP c1ccc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CSCC[NH2+]3)C2)cc1 ZINC001246336053 804290847 /nfs/dbraw/zinc/29/08/47/804290847.db2.gz LCHFAVWAGFRTEY-BRWVUGGUSA-N 2 2 290.476 3.007 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001246341001 804293175 /nfs/dbraw/zinc/29/31/75/804293175.db2.gz XDFUNXAKICVJRC-OALUTQOASA-N 2 2 280.415 3.230 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(F)c1F ZINC001246349311 804297741 /nfs/dbraw/zinc/29/77/41/804297741.db2.gz KHWRKTVIPHBTSP-GRYCIOLGSA-N 2 2 268.351 3.064 20 0 CGADLP c1ccc(Oc2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)cc2)nc1 ZINC001246411345 804325794 /nfs/dbraw/zinc/32/57/94/804325794.db2.gz CIGQXQSRFJJEAU-INIZCTEOSA-N 2 2 297.402 3.106 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)C[NH2+]1 ZINC001246412387 804326089 /nfs/dbraw/zinc/32/60/89/804326089.db2.gz KKQGAGZZMMSBMG-RIEGTJTDSA-N 2 2 298.352 3.423 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(CF)CC1 ZINC001140028557 804356005 /nfs/dbraw/zinc/35/60/05/804356005.db2.gz WWFVZQASPJPEHA-UHFFFAOYSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001140028651 804356319 /nfs/dbraw/zinc/35/63/19/804356319.db2.gz YXEPWMTVAHJKMU-HNNXBMFYSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001140028651 804356325 /nfs/dbraw/zinc/35/63/25/804356325.db2.gz YXEPWMTVAHJKMU-HNNXBMFYSA-N 2 2 287.382 3.362 20 0 CGADLP COCC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140023724 804356900 /nfs/dbraw/zinc/35/69/00/804356900.db2.gz XCTWNZCAAZVNBY-UHFFFAOYSA-N 2 2 299.418 3.039 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246523348 804378994 /nfs/dbraw/zinc/37/89/94/804378994.db2.gz FNUNRJCZIBEGHA-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246523348 804379003 /nfs/dbraw/zinc/37/90/03/804379003.db2.gz FNUNRJCZIBEGHA-LBPRGKRZSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246539200 804389284 /nfs/dbraw/zinc/38/92/84/804389284.db2.gz CJXGNBFZAKQHNN-MJVIPROJSA-N 2 2 284.806 3.222 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246539200 804389275 /nfs/dbraw/zinc/38/92/75/804389275.db2.gz CJXGNBFZAKQHNN-MJVIPROJSA-N 2 2 284.806 3.222 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001246540987 804391994 /nfs/dbraw/zinc/39/19/94/804391994.db2.gz NDVKKOIMDPBRCK-LSDHHAIUSA-N 2 2 278.465 3.289 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001246540987 804391998 /nfs/dbraw/zinc/39/19/98/804391998.db2.gz NDVKKOIMDPBRCK-LSDHHAIUSA-N 2 2 278.465 3.289 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246545788 804392334 /nfs/dbraw/zinc/39/23/34/804392334.db2.gz DFSPBNZBKQTYHM-SJORKVTESA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC[C@@H](CCCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246545788 804392340 /nfs/dbraw/zinc/39/23/40/804392340.db2.gz DFSPBNZBKQTYHM-SJORKVTESA-N 2 2 284.488 3.436 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548919 804397929 /nfs/dbraw/zinc/39/79/29/804397929.db2.gz IIUOULCOBFGSHA-OLZOCXBDSA-N 2 2 298.833 3.342 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001246548919 804397937 /nfs/dbraw/zinc/39/79/37/804397937.db2.gz IIUOULCOBFGSHA-OLZOCXBDSA-N 2 2 298.833 3.342 20 0 CGADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570411 804417155 /nfs/dbraw/zinc/41/71/55/804417155.db2.gz HQSQGHFVJBOHEV-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246570411 804417158 /nfs/dbraw/zinc/41/71/58/804417158.db2.gz HQSQGHFVJBOHEV-HZPDHXFCSA-N 2 2 264.457 3.421 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246586107 804430278 /nfs/dbraw/zinc/43/02/78/804430278.db2.gz LIXDNGKOHRPIPX-DFBGVHRSSA-N 2 2 284.806 3.032 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246586107 804430281 /nfs/dbraw/zinc/43/02/81/804430281.db2.gz LIXDNGKOHRPIPX-DFBGVHRSSA-N 2 2 284.806 3.032 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614946 804449067 /nfs/dbraw/zinc/44/90/67/804449067.db2.gz PLHCEMZAMPAGQD-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001246614946 804449071 /nfs/dbraw/zinc/44/90/71/804449071.db2.gz PLHCEMZAMPAGQD-RDJZCZTQSA-N 2 2 290.476 3.304 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618283 804452588 /nfs/dbraw/zinc/45/25/88/804452588.db2.gz IWWYTRXOSOFHDO-DHXZDTOLSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+]2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001246618283 804452592 /nfs/dbraw/zinc/45/25/92/804452592.db2.gz IWWYTRXOSOFHDO-DHXZDTOLSA-N 2 2 270.420 3.136 20 0 CGADLP C[C@H]1CCC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647197 804474008 /nfs/dbraw/zinc/47/40/08/804474008.db2.gz IOEIOSSRPYNYKY-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246647197 804474010 /nfs/dbraw/zinc/47/40/10/804474010.db2.gz IOEIOSSRPYNYKY-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647629 804475826 /nfs/dbraw/zinc/47/58/26/804475826.db2.gz LYYFVRPAOFDKEA-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246647629 804475829 /nfs/dbraw/zinc/47/58/29/804475829.db2.gz LYYFVRPAOFDKEA-OAHLLOKOSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246649322 804476451 /nfs/dbraw/zinc/47/64/51/804476451.db2.gz XMJAUWRKBZKMMT-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@@H]([N@H+]2CCCCC23CC[NH2+]CC3)C[C@@H]1C ZINC001246649322 804476454 /nfs/dbraw/zinc/47/64/54/804476454.db2.gz XMJAUWRKBZKMMT-OWCLPIDISA-N 2 2 264.457 3.419 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246657619 804482661 /nfs/dbraw/zinc/48/26/61/804482661.db2.gz OXTDRTSOHJGPPT-VLOYRQLPSA-N 2 2 284.447 3.211 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001246657619 804482665 /nfs/dbraw/zinc/48/26/65/804482665.db2.gz OXTDRTSOHJGPPT-VLOYRQLPSA-N 2 2 284.447 3.211 20 0 CGADLP C[C@@H]1C(=O)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C12CCCC2 ZINC001140806336 804524030 /nfs/dbraw/zinc/52/40/30/804524030.db2.gz GSMBFHANKHPFSF-CYBMUJFWSA-N 2 2 297.402 3.287 20 0 CGADLP C[C@@H]1C(=O)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C12CCCC2 ZINC001140806336 804524031 /nfs/dbraw/zinc/52/40/31/804524031.db2.gz GSMBFHANKHPFSF-CYBMUJFWSA-N 2 2 297.402 3.287 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827669 804539079 /nfs/dbraw/zinc/53/90/79/804539079.db2.gz QDPYQECVNZZGEX-ROUUACIJSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827669 804539085 /nfs/dbraw/zinc/53/90/85/804539085.db2.gz QDPYQECVNZZGEX-ROUUACIJSA-N 2 2 290.426 3.495 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cc2[nH+]1 ZINC001141046085 804578861 /nfs/dbraw/zinc/57/88/61/804578861.db2.gz LMZRCNAWOMFIQQ-GJZGRUSLSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cc2[nH+]1 ZINC001141046085 804578864 /nfs/dbraw/zinc/57/88/64/804578864.db2.gz LMZRCNAWOMFIQQ-GJZGRUSLSA-N 2 2 255.365 3.099 20 0 CGADLP CC1(C)CC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951943 804616140 /nfs/dbraw/zinc/61/61/40/804616140.db2.gz ICZZEUJPOVRZIM-SJORKVTESA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246951943 804616143 /nfs/dbraw/zinc/61/61/43/804616143.db2.gz ICZZEUJPOVRZIM-SJORKVTESA-N 2 2 287.451 3.214 20 0 CGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCCC1 ZINC001141244285 804624675 /nfs/dbraw/zinc/62/46/75/804624675.db2.gz ICNSGGWQNQNAHK-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CCCC1 ZINC001141244285 804624679 /nfs/dbraw/zinc/62/46/79/804624679.db2.gz ICNSGGWQNQNAHK-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CCCCn1c(CCCC[NH3+])[nH+]c2ccc(F)c(F)c21 ZINC001247041615 804649220 /nfs/dbraw/zinc/64/92/20/804649220.db2.gz MLCLZDYJEARELM-UHFFFAOYSA-N 2 2 281.350 3.396 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001142366975 804719071 /nfs/dbraw/zinc/71/90/71/804719071.db2.gz ADHREFKZXRNLCH-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001142366975 804719077 /nfs/dbraw/zinc/71/90/77/804719077.db2.gz ADHREFKZXRNLCH-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001142366975 804719082 /nfs/dbraw/zinc/71/90/82/804719082.db2.gz ADHREFKZXRNLCH-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001142366975 804719088 /nfs/dbraw/zinc/71/90/88/804719088.db2.gz ADHREFKZXRNLCH-MSOLQXFVSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)ccc1[NH+](C)C ZINC001165290162 806989499 /nfs/dbraw/zinc/98/94/99/806989499.db2.gz PDWMARGURYFLRZ-HNNXBMFYSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[NH+](C)C ZINC001165290162 806989501 /nfs/dbraw/zinc/98/95/01/806989501.db2.gz PDWMARGURYFLRZ-HNNXBMFYSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]c2cc[nH]c21 ZINC001165300706 806990386 /nfs/dbraw/zinc/99/03/86/806990386.db2.gz RBOGSLWFGUJMGQ-ZDUSSCGKSA-N 2 2 272.396 3.015 20 0 CGADLP Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]c2cc[nH]c21 ZINC001165300706 806990391 /nfs/dbraw/zinc/99/03/91/806990391.db2.gz RBOGSLWFGUJMGQ-ZDUSSCGKSA-N 2 2 272.396 3.015 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144247123 804961471 /nfs/dbraw/zinc/96/14/71/804961471.db2.gz QSQZXKMKDOHEFT-UHFFFAOYSA-N 2 2 297.446 3.393 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144247123 804961474 /nfs/dbraw/zinc/96/14/74/804961474.db2.gz QSQZXKMKDOHEFT-UHFFFAOYSA-N 2 2 297.446 3.393 20 0 CGADLP CC(C)(C)c1c[nH]c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001249476547 805155983 /nfs/dbraw/zinc/15/59/83/805155983.db2.gz WQBJCIFMBQSCSC-UHFFFAOYSA-N 2 2 298.434 3.029 20 0 CGADLP Cc1cc2cc(NCC[C@@H]3CCC[N@@H+](C)C3)[nH+]cc2[nH]1 ZINC001165259893 806982705 /nfs/dbraw/zinc/98/27/05/806982705.db2.gz BODOFJONBFYAMD-ZDUSSCGKSA-N 2 2 272.396 3.015 20 0 CGADLP Cc1cc2cc(NCC[C@@H]3CCC[N@H+](C)C3)[nH+]cc2[nH]1 ZINC001165259893 806982707 /nfs/dbraw/zinc/98/27/07/806982707.db2.gz BODOFJONBFYAMD-ZDUSSCGKSA-N 2 2 272.396 3.015 20 0 CGADLP CCc1ccc(C)[nH+]c1Nc1ccc2c[nH+]cn2c1 ZINC001250322820 805566230 /nfs/dbraw/zinc/56/62/30/805566230.db2.gz NJXDQGPWYVVJRT-UHFFFAOYSA-N 2 2 252.321 3.344 20 0 CGADLP Cc1c[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)c(C)c1 ZINC001167069606 807143541 /nfs/dbraw/zinc/14/35/41/807143541.db2.gz LIIGBSSSRCWDSG-UHFFFAOYSA-N 2 2 293.414 3.471 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471599 807172577 /nfs/dbraw/zinc/17/25/77/807172577.db2.gz NRMKMVAJPPOVGV-DLBZAZTESA-N 3 2 285.520 3.194 20 0 CGADLP CCC[C@H](C)CC[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001257471599 807172583 /nfs/dbraw/zinc/17/25/83/807172583.db2.gz NRMKMVAJPPOVGV-DLBZAZTESA-N 3 2 285.520 3.194 20 0 CGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cccc1-n1cccc1 ZINC001167624734 807217818 /nfs/dbraw/zinc/21/78/18/807217818.db2.gz AAJXTHGATCCHSY-UHFFFAOYSA-N 2 2 298.434 3.357 20 0 CGADLP CCCC[NH+](CCCC)CCNc1cc[nH+]c(C)n1 ZINC001167732995 807235415 /nfs/dbraw/zinc/23/54/15/807235415.db2.gz LGILEFQLKLWMTE-UHFFFAOYSA-N 2 2 264.417 3.099 20 0 CGADLP CC(C)OC1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001257883218 807236491 /nfs/dbraw/zinc/23/64/91/807236491.db2.gz SSFWVHZSPUDXFF-FHERZECASA-N 2 2 291.439 3.259 20 0 CGADLP CCc1ccc[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752096 807241995 /nfs/dbraw/zinc/24/19/95/807241995.db2.gz RUYYDSHOJCIUAZ-CQSZACIVSA-N 2 2 261.413 3.320 20 0 CGADLP CCc1ccc[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001167752096 807241997 /nfs/dbraw/zinc/24/19/97/807241997.db2.gz RUYYDSHOJCIUAZ-CQSZACIVSA-N 2 2 261.413 3.320 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccn2cc[nH+]c2c1 ZINC001167752861 807242664 /nfs/dbraw/zinc/24/26/64/807242664.db2.gz YTKGUDAWVUVUBM-CQSZACIVSA-N 2 2 272.396 3.011 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccn2cc[nH+]c2c1 ZINC001167752861 807242665 /nfs/dbraw/zinc/24/26/65/807242665.db2.gz YTKGUDAWVUVUBM-CQSZACIVSA-N 2 2 272.396 3.011 20 0 CGADLP COc1ccc2cc(NCc3ccc(N)[nH+]c3C)[nH+]cc2c1 ZINC001167784773 807250476 /nfs/dbraw/zinc/25/04/76/807250476.db2.gz CHNMQTBRQOOTAQ-UHFFFAOYSA-N 2 2 294.358 3.141 20 0 CGADLP CC[NH+](CC)CCC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001167838361 807259022 /nfs/dbraw/zinc/25/90/22/807259022.db2.gz TXYCLXWYLXMAIP-HZPDHXFCSA-N 3 2 292.471 3.033 20 0 CGADLP c1ccc2c(c1)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966418 807287645 /nfs/dbraw/zinc/28/76/45/807287645.db2.gz VHQDLECOMWYITL-MMNRESRNSA-N 2 2 298.430 3.115 20 0 CGADLP c1ccc2c(c1)OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966418 807287646 /nfs/dbraw/zinc/28/76/46/807287646.db2.gz VHQDLECOMWYITL-MMNRESRNSA-N 2 2 298.430 3.115 20 0 CGADLP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001258149076 807320659 /nfs/dbraw/zinc/32/06/59/807320659.db2.gz WNNAATGODXWBPJ-PKOBYXMFSA-N 2 2 284.447 3.178 20 0 CGADLP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC001258149076 807320667 /nfs/dbraw/zinc/32/06/67/807320667.db2.gz WNNAATGODXWBPJ-PKOBYXMFSA-N 2 2 284.447 3.178 20 0 CGADLP CC1(Nc2cc[nH+]c(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC001168186880 807338831 /nfs/dbraw/zinc/33/88/31/807338831.db2.gz JVVICURQMAORDL-UHFFFAOYSA-N 2 2 297.402 3.215 20 0 CGADLP C[C@H]1C[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001258170423 807338933 /nfs/dbraw/zinc/33/89/33/807338933.db2.gz KLDCLAQITBCPBT-QLPKVWCKSA-N 2 2 287.451 3.465 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001258279606 807391840 /nfs/dbraw/zinc/39/18/40/807391840.db2.gz LDGPBVWTPJXHFQ-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001258279606 807391847 /nfs/dbraw/zinc/39/18/47/807391847.db2.gz LDGPBVWTPJXHFQ-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001168421919 807410578 /nfs/dbraw/zinc/41/05/78/807410578.db2.gz UETLMICOWPDJJG-KRWDZBQOSA-N 2 2 295.361 3.121 20 0 CGADLP Cc1c[nH+]cc(N2C[C@@H](CC[NH3+])c3ccccc32)c1C ZINC001168548881 807442842 /nfs/dbraw/zinc/44/28/42/807442842.db2.gz JKDAVRARTXHWRY-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP Cc1cc2cc[nH]c2c(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001168544591 807443163 /nfs/dbraw/zinc/44/31/63/807443163.db2.gz KWXRJZIYHUJBRB-CQSZACIVSA-N 2 2 292.386 3.455 20 0 CGADLP C[C@@H](CC1CC1)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258452089 807458148 /nfs/dbraw/zinc/45/81/48/807458148.db2.gz XUIWCJIZARLDFB-AWEZNQCLSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258451081 807458351 /nfs/dbraw/zinc/45/83/51/807458351.db2.gz FZJVCEITNDJTMQ-IINYFYTJSA-N 2 2 297.240 3.227 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258451080 807458579 /nfs/dbraw/zinc/45/85/79/807458579.db2.gz FZJVCEITNDJTMQ-HZMBPMFUSA-N 2 2 297.240 3.227 20 0 CGADLP Clc1cccc2c1C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001168714254 807494562 /nfs/dbraw/zinc/49/45/62/807494562.db2.gz ANNHISTUVDUMHO-CQSZACIVSA-N 2 2 297.789 3.245 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258595616 807496079 /nfs/dbraw/zinc/49/60/79/807496079.db2.gz FCJGURDLIKULKU-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1cc2cc(F)ccc2c[nH+]1 ZINC001168764753 807507557 /nfs/dbraw/zinc/50/75/57/807507557.db2.gz ZSFYUJLRUKWJII-UHFFFAOYSA-N 2 2 275.371 3.374 20 0 CGADLP Cc1[nH+]c2c(n1[C@@H]1C[C@@H](C)CC(C)(C)C1)CC[NH2+]CC2 ZINC001258697917 807551486 /nfs/dbraw/zinc/55/14/86/807551486.db2.gz UGUKWUKCYHSBGT-TZMCWYRMSA-N 2 2 275.440 3.267 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001169053567 807561107 /nfs/dbraw/zinc/56/11/07/807561107.db2.gz ISHZRZAQKARCMA-GOSISDBHSA-N 2 2 274.452 3.329 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169112863 807581313 /nfs/dbraw/zinc/58/13/13/807581313.db2.gz TZTGEVHRMCSENV-QKDCVEJESA-N 2 2 278.827 3.363 20 0 CGADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169112863 807581317 /nfs/dbraw/zinc/58/13/17/807581317.db2.gz TZTGEVHRMCSENV-QKDCVEJESA-N 2 2 278.827 3.363 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001169129939 807585930 /nfs/dbraw/zinc/58/59/30/807585930.db2.gz MIQWGAIXKSTRGY-BTTYYORXSA-N 2 2 284.394 3.123 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001169129939 807585932 /nfs/dbraw/zinc/58/59/32/807585932.db2.gz MIQWGAIXKSTRGY-BTTYYORXSA-N 2 2 284.394 3.123 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152593 807594285 /nfs/dbraw/zinc/59/42/85/807594285.db2.gz COVUATIEFFKLPK-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152593 807594290 /nfs/dbraw/zinc/59/42/90/807594290.db2.gz COVUATIEFFKLPK-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152593 807594292 /nfs/dbraw/zinc/59/42/92/807594292.db2.gz COVUATIEFFKLPK-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cccc(Cl)c3C1)C2 ZINC001169152593 807594297 /nfs/dbraw/zinc/59/42/97/807594297.db2.gz COVUATIEFFKLPK-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001169241310 807613288 /nfs/dbraw/zinc/61/32/88/807613288.db2.gz SVJUMMHOFWLEPR-INIZCTEOSA-N 2 2 293.842 3.260 20 0 CGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001169266322 807619550 /nfs/dbraw/zinc/61/95/50/807619550.db2.gz VUIJQOSVCKSXBP-AWEZNQCLSA-N 2 2 268.420 3.075 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC001169282522 807621633 /nfs/dbraw/zinc/62/16/33/807621633.db2.gz DPUYZQTUFIZQKN-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC001169282522 807621638 /nfs/dbraw/zinc/62/16/38/807621638.db2.gz DPUYZQTUFIZQKN-CABCVRRESA-N 2 2 252.446 3.418 20 0 CGADLP COCC[N@H+](C(CC(C)C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258835541 807649026 /nfs/dbraw/zinc/64/90/26/807649026.db2.gz UUCCSZSMKYVFSI-UHFFFAOYSA-N 2 2 298.515 3.490 20 0 CGADLP COCC[N@@H+](C(CC(C)C)CC(C)C)C1CC[NH+](C)CC1 ZINC001258835541 807649031 /nfs/dbraw/zinc/64/90/31/807649031.db2.gz UUCCSZSMKYVFSI-UHFFFAOYSA-N 2 2 298.515 3.490 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001258908545 807672704 /nfs/dbraw/zinc/67/27/04/807672704.db2.gz WZPVIRPBOGHMAF-UONOGXRCSA-N 2 2 294.405 3.424 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001258908545 807672708 /nfs/dbraw/zinc/67/27/08/807672708.db2.gz WZPVIRPBOGHMAF-UONOGXRCSA-N 2 2 294.405 3.424 20 0 CGADLP C[NH+](C)CCOc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001212806352 815142562 /nfs/dbraw/zinc/14/25/62/815142562.db2.gz YXKRLAVGYJFLCS-UHFFFAOYSA-N 2 2 296.374 3.018 20 0 CGADLP Cc1cc(C)c(Nc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC001212803955 815142979 /nfs/dbraw/zinc/14/29/79/815142979.db2.gz DPIIUSJPXBPYBX-UHFFFAOYSA-N 2 2 285.391 3.382 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001261423238 807742614 /nfs/dbraw/zinc/74/26/14/807742614.db2.gz RSOQOVOUIWQKSF-GPCCPHFNSA-N 2 2 270.779 3.270 20 0 CGADLP CC(C)CCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001170074584 807748212 /nfs/dbraw/zinc/74/82/12/807748212.db2.gz VFEQEJGROHVQKI-CQSZACIVSA-N 2 2 250.386 3.265 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1CCC=CCC1 ZINC001261908490 807800028 /nfs/dbraw/zinc/80/00/28/807800028.db2.gz ORRSYUQYGATZFR-UHFFFAOYSA-N 2 2 296.374 3.261 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC001262011728 807806587 /nfs/dbraw/zinc/80/65/87/807806587.db2.gz WAMZKRWNDXKKHA-UHFFFAOYSA-N 2 2 296.405 3.314 20 0 CGADLP CN(C)c1ccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]c1 ZINC001170452134 807845622 /nfs/dbraw/zinc/84/56/22/807845622.db2.gz ZHYKVKSPEZGJMR-UHFFFAOYSA-N 2 2 290.455 3.211 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171563859 808096375 /nfs/dbraw/zinc/09/63/75/808096375.db2.gz OANKJCSJNCNMPR-KRWDZBQOSA-N 2 2 291.398 3.290 20 0 CGADLP Cc1ccnc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171614231 808105339 /nfs/dbraw/zinc/10/53/39/808105339.db2.gz VMJLTHWGDTWKNM-UHFFFAOYSA-N 2 2 275.440 3.131 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636880 808109027 /nfs/dbraw/zinc/10/90/27/808109027.db2.gz JEJCBKACWOPPQP-UHFFFAOYSA-N 3 2 295.515 3.054 20 0 CGADLP CC1(C)C[C@@H]([NH+]2C=C(N)C=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977027 808162588 /nfs/dbraw/zinc/16/25/88/808162588.db2.gz WHQMWSKLCLGVHE-SFHVURJKSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@@H]([NH+]2C=C(N)C=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977027 808162595 /nfs/dbraw/zinc/16/25/95/808162595.db2.gz WHQMWSKLCLGVHE-SFHVURJKSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@@H]([N@H+]2C=C(N)C=CC2)CC[NH+]1Cc1ccccc1 ZINC001171977027 808162613 /nfs/dbraw/zinc/16/26/13/808162613.db2.gz WHQMWSKLCLGVHE-SFHVURJKSA-N 2 2 297.446 3.102 20 0 CGADLP CC1(C)C[C@@H]([N@@H+]2C=C(N)C=CC2)CC[NH+]1Cc1ccccc1 ZINC001171977027 808162620 /nfs/dbraw/zinc/16/26/20/808162620.db2.gz WHQMWSKLCLGVHE-SFHVURJKSA-N 2 2 297.446 3.102 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172349093 808246792 /nfs/dbraw/zinc/24/67/92/808246792.db2.gz LBWDEVUUZOJFQD-ZIAGYGMSSA-N 2 2 275.396 3.018 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@H]1C ZINC001172379688 808272412 /nfs/dbraw/zinc/27/24/12/808272412.db2.gz PLBCHGLXKMWMAX-FMKPAKJESA-N 2 2 261.413 3.345 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172394276 808283486 /nfs/dbraw/zinc/28/34/86/808283486.db2.gz QCEKJVKHXNFVRM-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172394276 808283490 /nfs/dbraw/zinc/28/34/90/808283490.db2.gz QCEKJVKHXNFVRM-CVEARBPZSA-N 2 2 252.446 3.275 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172545915 808376025 /nfs/dbraw/zinc/37/60/25/808376025.db2.gz NLQUKFIQKRHRHK-IAGOWNOFSA-N 2 2 283.419 3.279 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726577 808422464 /nfs/dbraw/zinc/42/24/64/808422464.db2.gz YAWICKVZATWLTE-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726577 808422466 /nfs/dbraw/zinc/42/24/66/808422466.db2.gz YAWICKVZATWLTE-KRWDZBQOSA-N 2 2 292.854 3.223 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172837794 808454025 /nfs/dbraw/zinc/45/40/25/808454025.db2.gz PHGXQKAPHXXINE-QWHCGFSZSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172837794 808454033 /nfs/dbraw/zinc/45/40/33/808454033.db2.gz PHGXQKAPHXXINE-QWHCGFSZSA-N 2 2 298.833 3.484 20 0 CGADLP CCCC[N@H+](C)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039121 808497335 /nfs/dbraw/zinc/49/73/35/808497335.db2.gz CVJLFBUPVKNIFX-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039121 808497338 /nfs/dbraw/zinc/49/73/38/808497338.db2.gz CVJLFBUPVKNIFX-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001173252139 808559892 /nfs/dbraw/zinc/55/98/92/808559892.db2.gz IMBWBUGMCJHOBX-HNNXBMFYSA-N 2 2 274.452 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001173252139 808559896 /nfs/dbraw/zinc/55/98/96/808559896.db2.gz IMBWBUGMCJHOBX-HNNXBMFYSA-N 2 2 274.452 3.206 20 0 CGADLP CC[C@H]1CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173285840 808587319 /nfs/dbraw/zinc/58/73/19/808587319.db2.gz ZFORFYQSKUFVLK-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP CCSC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001173300834 808600493 /nfs/dbraw/zinc/60/04/93/808600493.db2.gz NLRBTPQCRJCNLK-ZDUSSCGKSA-N 2 2 280.437 3.066 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173340182 808619620 /nfs/dbraw/zinc/61/96/20/808619620.db2.gz SOXURXSLVSUFNY-CABCVRRESA-N 2 2 252.446 3.419 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](CCCCCc3ccccc3)C2)C1 ZINC001274991218 808896127 /nfs/dbraw/zinc/89/61/27/808896127.db2.gz RDFNXADXCYYHLP-UHFFFAOYSA-N 2 2 272.436 3.037 20 0 CGADLP C[N@H+]1CCC2(C[NH+](CCCCCc3ccccc3)C2)C1 ZINC001274991218 808896132 /nfs/dbraw/zinc/89/61/32/808896132.db2.gz RDFNXADXCYYHLP-UHFFFAOYSA-N 2 2 272.436 3.037 20 0 CGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066064 808903122 /nfs/dbraw/zinc/90/31/22/808903122.db2.gz QGKRTDQSKIJRIU-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066064 808903130 /nfs/dbraw/zinc/90/31/30/808903130.db2.gz QGKRTDQSKIJRIU-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275066064 808903135 /nfs/dbraw/zinc/90/31/35/808903135.db2.gz QGKRTDQSKIJRIU-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275066064 808903140 /nfs/dbraw/zinc/90/31/40/808903140.db2.gz QGKRTDQSKIJRIU-AEFFLSMTSA-N 2 2 294.483 3.142 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCO[C@]2(CCC[NH+](CC)C2)C1 ZINC001275084784 808905859 /nfs/dbraw/zinc/90/58/59/808905859.db2.gz FWPUCBHTPOUIOQ-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCO[C@]2(CCC[NH+](CC)C2)C1 ZINC001275084784 808905862 /nfs/dbraw/zinc/90/58/62/808905862.db2.gz FWPUCBHTPOUIOQ-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCO[C@]2(CCC[N@H+](CC)C2)C1 ZINC001275084784 808905867 /nfs/dbraw/zinc/90/58/67/808905867.db2.gz FWPUCBHTPOUIOQ-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP CCCC[C@H](CC)C[NH+]1CCO[C@]2(CCC[N@@H+](CC)C2)C1 ZINC001275084784 808905871 /nfs/dbraw/zinc/90/58/71/808905871.db2.gz FWPUCBHTPOUIOQ-ROUUACIJSA-N 2 2 296.499 3.390 20 0 CGADLP CCCCC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275120200 808912750 /nfs/dbraw/zinc/91/27/50/808912750.db2.gz FOVYQEMHYYILTG-GOSISDBHSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275120200 808912756 /nfs/dbraw/zinc/91/27/56/808912756.db2.gz FOVYQEMHYYILTG-GOSISDBHSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275120200 808912763 /nfs/dbraw/zinc/91/27/63/808912763.db2.gz FOVYQEMHYYILTG-GOSISDBHSA-N 2 2 294.483 3.286 20 0 CGADLP CCCCC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275120200 808912770 /nfs/dbraw/zinc/91/27/70/808912770.db2.gz FOVYQEMHYYILTG-GOSISDBHSA-N 2 2 294.483 3.286 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001275298311 808926338 /nfs/dbraw/zinc/92/63/38/808926338.db2.gz MOPPPKQVQUBEKW-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001275298311 808926344 /nfs/dbraw/zinc/92/63/44/808926344.db2.gz MOPPPKQVQUBEKW-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001275298311 808926349 /nfs/dbraw/zinc/92/63/49/808926349.db2.gz MOPPPKQVQUBEKW-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001275298311 808926356 /nfs/dbraw/zinc/92/63/56/808926356.db2.gz MOPPPKQVQUBEKW-QGZVFWFLSA-N 2 2 276.399 3.134 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1F ZINC001276304313 809000625 /nfs/dbraw/zinc/00/06/25/809000625.db2.gz AYOULNODQQMAIM-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1F ZINC001276304313 809000633 /nfs/dbraw/zinc/00/06/33/809000633.db2.gz AYOULNODQQMAIM-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1F ZINC001276304313 809000638 /nfs/dbraw/zinc/00/06/38/809000638.db2.gz AYOULNODQQMAIM-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1F ZINC001276304313 809000645 /nfs/dbraw/zinc/00/06/45/809000645.db2.gz AYOULNODQQMAIM-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882616 809039614 /nfs/dbraw/zinc/03/96/14/809039614.db2.gz ZFAIUYJFPACJSA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882616 809039622 /nfs/dbraw/zinc/03/96/22/809039622.db2.gz ZFAIUYJFPACJSA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882616 809039628 /nfs/dbraw/zinc/03/96/28/809039628.db2.gz ZFAIUYJFPACJSA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C2 ZINC001276882616 809039637 /nfs/dbraw/zinc/03/96/37/809039637.db2.gz ZFAIUYJFPACJSA-GOSISDBHSA-N 2 2 289.467 3.230 20 0 CGADLP c1cn(CCC[N@@H+]2CCC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC001176939203 809771008 /nfs/dbraw/zinc/77/10/08/809771008.db2.gz DSEDFQAGKPTVHX-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP c1cn(CCC[N@H+]2CCC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC001176939203 809771010 /nfs/dbraw/zinc/77/10/10/809771010.db2.gz DSEDFQAGKPTVHX-MRXNPFEDSA-N 2 2 261.413 3.175 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)[nH+]c1 ZINC001177656810 809813968 /nfs/dbraw/zinc/81/39/68/809813968.db2.gz LYIZYXPHNKDDAI-ZSHCYNCHSA-N 2 2 273.424 3.442 20 0 CGADLP C[C@H]1CCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177764151 809819545 /nfs/dbraw/zinc/81/95/45/809819545.db2.gz CFWNQZUFPGSCME-SMDDNHRTSA-N 2 2 261.394 3.212 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]CC(C)(C)[NH+](C)C ZINC001198934873 811552298 /nfs/dbraw/zinc/55/22/98/811552298.db2.gz FSRFTJSIMCEJEP-HNNXBMFYSA-N 2 2 262.441 3.185 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199295217 811571556 /nfs/dbraw/zinc/57/15/56/811571556.db2.gz GPXZDFIOGWQIMA-ALYAQQCSSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[N@H+]1CCCC[C@H]1C ZINC001199295217 811571559 /nfs/dbraw/zinc/57/15/59/811571559.db2.gz GPXZDFIOGWQIMA-ALYAQQCSSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC001199742337 811594252 /nfs/dbraw/zinc/59/42/52/811594252.db2.gz AEYJIDNJTPTCDT-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC001199742337 811594257 /nfs/dbraw/zinc/59/42/57/811594257.db2.gz AEYJIDNJTPTCDT-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001199850731 811602205 /nfs/dbraw/zinc/60/22/05/811602205.db2.gz JDYFYUKZPQWJMV-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)C[C@@H](C)C1 ZINC001200900691 811762686 /nfs/dbraw/zinc/76/26/86/811762686.db2.gz AACJLNYEUVGTKV-FICVDOATSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC001201429801 811842214 /nfs/dbraw/zinc/84/22/14/811842214.db2.gz WYIDLUBNSCLJPZ-HZPDHXFCSA-N 2 2 272.392 3.199 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC001201429801 811842224 /nfs/dbraw/zinc/84/22/24/811842224.db2.gz WYIDLUBNSCLJPZ-HZPDHXFCSA-N 2 2 272.392 3.199 20 0 CGADLP CCC(CC)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201535141 811888633 /nfs/dbraw/zinc/88/86/33/811888633.db2.gz YOISTJFCJQAOSB-OAHLLOKOSA-N 2 2 262.397 3.279 20 0 CGADLP CCC(CC)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201535141 811888643 /nfs/dbraw/zinc/88/86/43/811888643.db2.gz YOISTJFCJQAOSB-OAHLLOKOSA-N 2 2 262.397 3.279 20 0 CGADLP CCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201636592 811927650 /nfs/dbraw/zinc/92/76/50/811927650.db2.gz GRTLAELXXZIWSG-UHFFFAOYSA-N 2 2 293.480 3.292 20 0 CGADLP CCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201636592 811927652 /nfs/dbraw/zinc/92/76/52/811927652.db2.gz GRTLAELXXZIWSG-UHFFFAOYSA-N 2 2 293.480 3.292 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201652571 811931284 /nfs/dbraw/zinc/93/12/84/811931284.db2.gz QMPJDTKONARENW-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201652571 811931286 /nfs/dbraw/zinc/93/12/86/811931286.db2.gz QMPJDTKONARENW-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP CCO[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)C[NH+](C)C ZINC001203634066 812412250 /nfs/dbraw/zinc/41/22/50/812412250.db2.gz OYGFWHSOJFHIKK-ZDUSSCGKSA-N 2 2 298.496 3.102 20 0 CGADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c(C)c1 ZINC001203732322 812444321 /nfs/dbraw/zinc/44/43/21/812444321.db2.gz SHPYKYHCBXMBKX-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c(C)c1 ZINC001203732322 812444328 /nfs/dbraw/zinc/44/43/28/812444328.db2.gz SHPYKYHCBXMBKX-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1csc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)n1 ZINC001204379838 812624554 /nfs/dbraw/zinc/62/45/54/812624554.db2.gz UENRYDRWXKJJFO-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)n1 ZINC001204379838 812624558 /nfs/dbraw/zinc/62/45/58/812624558.db2.gz UENRYDRWXKJJFO-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204379838 812624563 /nfs/dbraw/zinc/62/45/63/812624563.db2.gz UENRYDRWXKJJFO-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP Cc1csc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)n1 ZINC001204379838 812624565 /nfs/dbraw/zinc/62/45/65/812624565.db2.gz UENRYDRWXKJJFO-LSDHHAIUSA-N 2 2 293.480 3.290 20 0 CGADLP CCCCCCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204654960 812701999 /nfs/dbraw/zinc/70/19/99/812701999.db2.gz KGMDFODDFCWXRP-UHFFFAOYSA-N 2 2 290.451 3.441 20 0 CGADLP CCCCCCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204654960 812702005 /nfs/dbraw/zinc/70/20/05/812702005.db2.gz KGMDFODDFCWXRP-UHFFFAOYSA-N 2 2 290.451 3.441 20 0 CGADLP CC(C)c1cc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Cl ZINC001204756891 812727569 /nfs/dbraw/zinc/72/75/69/812727569.db2.gz SMZKBOULVUVSHJ-AWEZNQCLSA-N 2 2 296.842 3.013 20 0 CGADLP CC(C)c1cc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)ccc1Cl ZINC001204756891 812727575 /nfs/dbraw/zinc/72/75/75/812727575.db2.gz SMZKBOULVUVSHJ-AWEZNQCLSA-N 2 2 296.842 3.013 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904654 812771388 /nfs/dbraw/zinc/77/13/88/812771388.db2.gz VSIODGOIBLKLJJ-OAHLLOKOSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904654 812771392 /nfs/dbraw/zinc/77/13/92/812771392.db2.gz VSIODGOIBLKLJJ-OAHLLOKOSA-N 2 2 272.417 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC12CC2 ZINC001204912345 812773469 /nfs/dbraw/zinc/77/34/69/812773469.db2.gz ULFNDIRBXCBYGZ-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC12CC2 ZINC001204912345 812773473 /nfs/dbraw/zinc/77/34/73/812773473.db2.gz ULFNDIRBXCBYGZ-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001204925602 812778185 /nfs/dbraw/zinc/77/81/85/812778185.db2.gz XDZOQQUWEOEWFH-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001204925602 812778190 /nfs/dbraw/zinc/77/81/90/812778190.db2.gz XDZOQQUWEOEWFH-AWEZNQCLSA-N 2 2 286.341 3.061 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2csc3ccccc23)C1 ZINC001204937310 812784982 /nfs/dbraw/zinc/78/49/82/812784982.db2.gz BSJOHHHLOYNYMT-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC001204937310 812784987 /nfs/dbraw/zinc/78/49/87/812784987.db2.gz BSJOHHHLOYNYMT-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](CCCc2ccccc2Cl)C1 ZINC001204937833 812785536 /nfs/dbraw/zinc/78/55/36/812785536.db2.gz HIBDGWURBVHMHA-OAHLLOKOSA-N 2 2 266.816 3.086 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](CCCc2ccccc2Cl)C1 ZINC001204937833 812785539 /nfs/dbraw/zinc/78/55/39/812785539.db2.gz HIBDGWURBVHMHA-OAHLLOKOSA-N 2 2 266.816 3.086 20 0 CGADLP [NH3+]CC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001205047505 812837407 /nfs/dbraw/zinc/83/74/07/812837407.db2.gz XCOOEZKRVYBYNN-UHFFFAOYSA-N 2 2 291.197 3.303 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303303 812940643 /nfs/dbraw/zinc/94/06/43/812940643.db2.gz CIZSVXQBYFSEMZ-TZMCWYRMSA-N 2 2 296.842 3.155 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303303 812940645 /nfs/dbraw/zinc/94/06/45/812940645.db2.gz CIZSVXQBYFSEMZ-TZMCWYRMSA-N 2 2 296.842 3.155 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001205319065 812952143 /nfs/dbraw/zinc/95/21/43/812952143.db2.gz YDMROYAEVVHZDQ-OCCSQVGLSA-N 2 2 295.858 3.275 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001205319065 812952144 /nfs/dbraw/zinc/95/21/44/812952144.db2.gz YDMROYAEVVHZDQ-OCCSQVGLSA-N 2 2 295.858 3.275 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205331246 812959084 /nfs/dbraw/zinc/95/90/84/812959084.db2.gz GCTQVDZXAWODRI-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205331246 812959090 /nfs/dbraw/zinc/95/90/90/812959090.db2.gz GCTQVDZXAWODRI-CQSZACIVSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787799 813077672 /nfs/dbraw/zinc/07/76/72/813077672.db2.gz JAPBLUSYHNRIFP-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205787799 813077680 /nfs/dbraw/zinc/07/76/80/813077680.db2.gz JAPBLUSYHNRIFP-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830500 813102098 /nfs/dbraw/zinc/10/20/98/813102098.db2.gz SYVFEAUBGGPEHE-GDBMZVCRSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830500 813102099 /nfs/dbraw/zinc/10/20/99/813102099.db2.gz SYVFEAUBGGPEHE-GDBMZVCRSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001205880963 813117937 /nfs/dbraw/zinc/11/79/37/813117937.db2.gz UMGSLWODGWRNKC-UZLBHIALSA-N 2 2 294.442 3.447 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001205880963 813117942 /nfs/dbraw/zinc/11/79/42/813117942.db2.gz UMGSLWODGWRNKC-UZLBHIALSA-N 2 2 294.442 3.447 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205923028 813133554 /nfs/dbraw/zinc/13/35/54/813133554.db2.gz GVAPIRIGUVIPJZ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Cl ZINC001205923028 813133558 /nfs/dbraw/zinc/13/35/58/813133558.db2.gz GVAPIRIGUVIPJZ-RYUDHWBXSA-N 2 2 284.806 3.347 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205932368 813139179 /nfs/dbraw/zinc/13/91/79/813139179.db2.gz QZOFXBABZRRFLE-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001205932368 813139181 /nfs/dbraw/zinc/13/91/81/813139181.db2.gz QZOFXBABZRRFLE-CYBMUJFWSA-N 2 2 272.314 3.019 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206262645 813261830 /nfs/dbraw/zinc/26/18/30/813261830.db2.gz CRNHSJPQDNZBJT-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001206262645 813261833 /nfs/dbraw/zinc/26/18/33/813261833.db2.gz CRNHSJPQDNZBJT-AWEZNQCLSA-N 2 2 260.425 3.168 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206262589 813262732 /nfs/dbraw/zinc/26/27/32/813262732.db2.gz AUOQKSBNEJFUND-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(OC(C)(C)C)cc1 ZINC001206262589 813262733 /nfs/dbraw/zinc/26/27/33/813262733.db2.gz AUOQKSBNEJFUND-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206269197 813264632 /nfs/dbraw/zinc/26/46/32/813264632.db2.gz GGNAAPSXPZNGMQ-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[NH2+]C[C@@H]2C)c1 ZINC001206269197 813264636 /nfs/dbraw/zinc/26/46/36/813264636.db2.gz GGNAAPSXPZNGMQ-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001206351309 813299852 /nfs/dbraw/zinc/29/98/52/813299852.db2.gz ANXTXFZXCVYESI-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001206351309 813299855 /nfs/dbraw/zinc/29/98/55/813299855.db2.gz ANXTXFZXCVYESI-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C ZINC001206475557 813331230 /nfs/dbraw/zinc/33/12/30/813331230.db2.gz CXVOORDOLVJKLV-OALUTQOASA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C ZINC001206475557 813331238 /nfs/dbraw/zinc/33/12/38/813331238.db2.gz CXVOORDOLVJKLV-OALUTQOASA-N 2 2 286.463 3.452 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+](Cc2ccccc2)C1 ZINC001206689354 813399763 /nfs/dbraw/zinc/39/97/63/813399763.db2.gz WRDBPLFBZMPLMD-LPHOPBHVSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+](Cc2ccccc2)C1 ZINC001206689354 813399768 /nfs/dbraw/zinc/39/97/68/813399768.db2.gz WRDBPLFBZMPLMD-LPHOPBHVSA-N 2 2 298.430 3.322 20 0 CGADLP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001206691795 813400290 /nfs/dbraw/zinc/40/02/90/813400290.db2.gz PONPNTXCPJBDKS-ARWYELJZSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001206691795 813400297 /nfs/dbraw/zinc/40/02/97/813400297.db2.gz PONPNTXCPJBDKS-ARWYELJZSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)Oc1ccc2ccccc2c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206730316 813409194 /nfs/dbraw/zinc/40/91/94/813409194.db2.gz RLDUUXFWTBZHCE-UHFFFAOYSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCCO1 ZINC001207186619 813510731 /nfs/dbraw/zinc/51/07/31/813510731.db2.gz XLYXONXLKZPGOS-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCCO1 ZINC001207186619 813510735 /nfs/dbraw/zinc/51/07/35/813510735.db2.gz XLYXONXLKZPGOS-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP COc1ccccc1[C@H](C)[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282043 813533857 /nfs/dbraw/zinc/53/38/57/813533857.db2.gz DMBRZZHQENBUDG-AWEZNQCLSA-N 2 2 278.440 3.276 20 0 CGADLP COc1ccccc1[C@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001207282043 813533864 /nfs/dbraw/zinc/53/38/64/813533864.db2.gz DMBRZZHQENBUDG-AWEZNQCLSA-N 2 2 278.440 3.276 20 0 CGADLP COc1ccccc1CC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001207457746 813568975 /nfs/dbraw/zinc/56/89/75/813568975.db2.gz DWLHEANNGMZVKG-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP COc1ccccc1CC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001207457746 813568978 /nfs/dbraw/zinc/56/89/78/813568978.db2.gz DWLHEANNGMZVKG-UHFFFAOYSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@H+](C)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207496596 813578014 /nfs/dbraw/zinc/57/80/14/813578014.db2.gz ORZHWCSUHWMWQP-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207496596 813578020 /nfs/dbraw/zinc/57/80/20/813578020.db2.gz ORZHWCSUHWMWQP-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001207616177 813617470 /nfs/dbraw/zinc/61/74/70/813617470.db2.gz UCJVIEQYXMWGFN-XHSDSOJGSA-N 2 2 284.403 3.137 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001207764137 813648357 /nfs/dbraw/zinc/64/83/57/813648357.db2.gz ZBDAHHSICLLEGG-MRXNPFEDSA-N 2 2 272.436 3.038 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001207764137 813648364 /nfs/dbraw/zinc/64/83/64/813648364.db2.gz ZBDAHHSICLLEGG-MRXNPFEDSA-N 2 2 272.436 3.038 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171747 813725181 /nfs/dbraw/zinc/72/51/81/813725181.db2.gz XBJQFGKNGFKCEG-XLAORIBOSA-N 2 2 294.458 3.487 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)CC1 ZINC001208171747 813725187 /nfs/dbraw/zinc/72/51/87/813725187.db2.gz XBJQFGKNGFKCEG-XLAORIBOSA-N 2 2 294.458 3.487 20 0 CGADLP F[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935453 813903339 /nfs/dbraw/zinc/90/33/39/813903339.db2.gz JLLCAGDIZYULDL-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208935453 813903347 /nfs/dbraw/zinc/90/33/47/813903347.db2.gz JLLCAGDIZYULDL-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208935453 813903353 /nfs/dbraw/zinc/90/33/53/813903353.db2.gz JLLCAGDIZYULDL-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP F[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208935453 813903359 /nfs/dbraw/zinc/90/33/59/813903359.db2.gz JLLCAGDIZYULDL-MSOLQXFVSA-N 2 2 290.426 3.333 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[NH2+][C@H](C)CC3)cc2c1 ZINC001210499740 814490971 /nfs/dbraw/zinc/49/09/71/814490971.db2.gz WOXKUASSCYBIBM-GFCCVEGCSA-N 2 2 290.432 3.094 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[NH2+][C@H](C)CC3)cc2c1 ZINC001210499740 814490975 /nfs/dbraw/zinc/49/09/75/814490975.db2.gz WOXKUASSCYBIBM-GFCCVEGCSA-N 2 2 290.432 3.094 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2c(OC(C)C)ccc3ccccc32)C1 ZINC001210561137 814527008 /nfs/dbraw/zinc/52/70/08/814527008.db2.gz HFVOHSSZWWVCLR-UHFFFAOYSA-N 2 2 298.430 3.278 20 0 CGADLP CNc1cc(Nc2ccccc2-n2cc[nH+]c2)cc[nH+]1 ZINC001216334406 815788196 /nfs/dbraw/zinc/78/81/96/815788196.db2.gz DXIDHWSCJSSGEL-UHFFFAOYSA-N 2 2 265.320 3.053 20 0 CGADLP CCCc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222244397 816384186 /nfs/dbraw/zinc/38/41/86/816384186.db2.gz XPTBAOBJKOGYPE-MRXNPFEDSA-N 2 2 278.465 3.419 20 0 CGADLP CCCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222244397 816384195 /nfs/dbraw/zinc/38/41/95/816384195.db2.gz XPTBAOBJKOGYPE-MRXNPFEDSA-N 2 2 278.465 3.419 20 0 CGADLP c1c2ccccc2sc1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335231 816410676 /nfs/dbraw/zinc/41/06/76/816410676.db2.gz ATPWAZPZCUEZRC-UHFFFAOYSA-N 2 2 272.417 3.087 20 0 CGADLP Fc1cccc2c(C[NH+]3CC4(C3)CCC[NH2+]C4)cccc12 ZINC001222339445 816411919 /nfs/dbraw/zinc/41/19/19/816411919.db2.gz BUUXJCHCVJBANN-UHFFFAOYSA-N 2 2 284.378 3.164 20 0 CGADLP Fc1ccc2c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222346353 816415613 /nfs/dbraw/zinc/41/56/13/816415613.db2.gz QRBHTAAQDRTOIN-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccc2c(C[N@H+]3CCC[C@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222346353 816415616 /nfs/dbraw/zinc/41/56/16/816415616.db2.gz QRBHTAAQDRTOIN-QGZVFWFLSA-N 2 2 287.382 3.025 20 0 CGADLP Fc1ccccc1CCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385480 816426639 /nfs/dbraw/zinc/42/66/39/816426639.db2.gz OEMUQXSYICHTNJ-SFHVURJKSA-N 2 2 290.426 3.366 20 0 CGADLP Fc1ccccc1CCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385480 816426641 /nfs/dbraw/zinc/42/66/41/816426641.db2.gz OEMUQXSYICHTNJ-SFHVURJKSA-N 2 2 290.426 3.366 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)o1 ZINC001222385901 816427626 /nfs/dbraw/zinc/42/76/26/816427626.db2.gz ZVQQRTBQBUFLLT-KRWDZBQOSA-N 2 2 276.424 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)o1 ZINC001222385901 816427631 /nfs/dbraw/zinc/42/76/31/816427631.db2.gz ZVQQRTBQBUFLLT-KRWDZBQOSA-N 2 2 276.424 3.129 20 0 CGADLP Cn1ccc2cc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222390179 816428349 /nfs/dbraw/zinc/42/83/49/816428349.db2.gz MEGXANXQEQLOON-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2cc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc21 ZINC001222390179 816428354 /nfs/dbraw/zinc/42/83/54/816428354.db2.gz MEGXANXQEQLOON-IBGZPJMESA-N 2 2 297.446 3.286 20 0 CGADLP COc1cc(C)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242980317 823197614 /nfs/dbraw/zinc/19/76/14/823197614.db2.gz ZSIJJPDMEURSBQ-UHFFFAOYSA-N 2 2 293.370 3.005 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1C ZINC001222427903 816442458 /nfs/dbraw/zinc/44/24/58/816442458.db2.gz XRSGLPZJKRBBBH-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1C ZINC001222427903 816442464 /nfs/dbraw/zinc/44/24/64/816442464.db2.gz XRSGLPZJKRBBBH-KRWDZBQOSA-N 2 2 258.409 3.021 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222436708 816445069 /nfs/dbraw/zinc/44/50/69/816445069.db2.gz YYCUUVGZAMEEPQ-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC001222436708 816445076 /nfs/dbraw/zinc/44/50/76/816445076.db2.gz YYCUUVGZAMEEPQ-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP C[NH2+]Cc1ccc(-c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001242994200 823202912 /nfs/dbraw/zinc/20/29/12/823202912.db2.gz QIAHCZOXKRGILQ-UHFFFAOYSA-N 2 2 277.371 3.474 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425763 818098320 /nfs/dbraw/zinc/09/83/20/818098320.db2.gz VXHRHJPGFBTEAZ-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231877972 818198303 /nfs/dbraw/zinc/19/83/03/818198303.db2.gz CCVHFIRIRLPIHJ-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001231877972 818198308 /nfs/dbraw/zinc/19/83/08/818198308.db2.gz CCVHFIRIRLPIHJ-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001231877972 818198312 /nfs/dbraw/zinc/19/83/12/818198312.db2.gz CCVHFIRIRLPIHJ-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccccc1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001231877972 818198316 /nfs/dbraw/zinc/19/83/16/818198316.db2.gz CCVHFIRIRLPIHJ-FUHWJXTLSA-N 2 2 272.436 3.336 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232216668 818281323 /nfs/dbraw/zinc/28/13/23/818281323.db2.gz VIYIPSYWUMIATB-UHFFFAOYSA-N 2 2 289.467 3.295 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232216668 818281331 /nfs/dbraw/zinc/28/13/31/818281331.db2.gz VIYIPSYWUMIATB-UHFFFAOYSA-N 2 2 289.467 3.295 20 0 CGADLP Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1OC(C)C ZINC001232390346 818333974 /nfs/dbraw/zinc/33/39/74/818333974.db2.gz SCHMPAVWFCWJFL-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1OC(C)C ZINC001232390346 818333980 /nfs/dbraw/zinc/33/39/80/818333980.db2.gz SCHMPAVWFCWJFL-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(CF)n2)CC1 ZINC001232540684 818382847 /nfs/dbraw/zinc/38/28/47/818382847.db2.gz IXLDVMSAWJQFQQ-UHFFFAOYSA-N 2 2 293.430 3.247 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(CF)n2)CC1 ZINC001232540684 818382852 /nfs/dbraw/zinc/38/28/52/818382852.db2.gz IXLDVMSAWJQFQQ-UHFFFAOYSA-N 2 2 293.430 3.247 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4ncsc4c3)CC2)c[nH+]1 ZINC001232743213 818430051 /nfs/dbraw/zinc/43/00/51/818430051.db2.gz NGUYQZWMJHZRQU-UHFFFAOYSA-N 2 2 298.415 3.330 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c2ccccc12 ZINC001235041099 818987706 /nfs/dbraw/zinc/98/77/06/818987706.db2.gz GHEGPUZTTRPUBY-ZWKOTPCHSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c2ccccc12 ZINC001235041099 818987708 /nfs/dbraw/zinc/98/77/08/818987708.db2.gz GHEGPUZTTRPUBY-ZWKOTPCHSA-N 2 2 266.388 3.084 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001235065062 818993389 /nfs/dbraw/zinc/99/33/89/818993389.db2.gz JKCKSKZOZLTFFF-GOSISDBHSA-N 2 2 266.388 3.086 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]3)C2)c2ccccc12 ZINC001235065062 818993394 /nfs/dbraw/zinc/99/33/94/818993394.db2.gz JKCKSKZOZLTFFF-GOSISDBHSA-N 2 2 266.388 3.086 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071552 818994219 /nfs/dbraw/zinc/99/42/19/818994219.db2.gz BPOCCVKMEUIHHD-CKMBUZLOSA-N 2 2 274.452 3.029 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235071552 818994221 /nfs/dbraw/zinc/99/42/21/818994221.db2.gz BPOCCVKMEUIHHD-CKMBUZLOSA-N 2 2 274.452 3.029 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(C)c1C ZINC001235075921 818994568 /nfs/dbraw/zinc/99/45/68/818994568.db2.gz QCNJEIHZECLMEJ-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(C)c1C ZINC001235075921 818994573 /nfs/dbraw/zinc/99/45/73/818994573.db2.gz QCNJEIHZECLMEJ-QZTJIDSGSA-N 2 2 272.436 3.165 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235101539 819000760 /nfs/dbraw/zinc/00/07/60/819000760.db2.gz CYSDUUILVXGZJN-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CCC23CC[NH2+]CC3)c1 ZINC001235101539 819000763 /nfs/dbraw/zinc/00/07/63/819000763.db2.gz CYSDUUILVXGZJN-UHFFFAOYSA-N 2 2 278.827 3.285 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235146289 819016715 /nfs/dbraw/zinc/01/67/15/819016715.db2.gz KBDYWSXYWUMHKK-WMZOPIPTSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001235146289 819016721 /nfs/dbraw/zinc/01/67/21/819016721.db2.gz KBDYWSXYWUMHKK-WMZOPIPTSA-N 2 2 282.362 3.026 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@]13CCC[NH2+]C3)NCCC2 ZINC001235174325 819025096 /nfs/dbraw/zinc/02/50/96/819025096.db2.gz HEKACBDVSNSKOC-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCCC[C@]13CCC[NH2+]C3)NCCC2 ZINC001235174325 819025105 /nfs/dbraw/zinc/02/51/05/819025105.db2.gz HEKACBDVSNSKOC-LJQANCHMSA-N 2 2 299.462 3.153 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235262932 819054801 /nfs/dbraw/zinc/05/48/01/819054801.db2.gz LUSKWRYBGXCDJC-GDBMZVCRSA-N 2 2 278.827 3.086 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001235262932 819054805 /nfs/dbraw/zinc/05/48/05/819054805.db2.gz LUSKWRYBGXCDJC-GDBMZVCRSA-N 2 2 278.827 3.086 20 0 CGADLP CSc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235260742 819055037 /nfs/dbraw/zinc/05/50/37/819055037.db2.gz HJCSBPUUJIKGGJ-BXUZGUMPSA-N 2 2 296.867 3.246 20 0 CGADLP CSc1ccc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235260742 819055042 /nfs/dbraw/zinc/05/50/42/819055042.db2.gz HJCSBPUUJIKGGJ-BXUZGUMPSA-N 2 2 296.867 3.246 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235264865 819057379 /nfs/dbraw/zinc/05/73/79/819057379.db2.gz QVRWVAXBPNLHEX-HIFRSBDPSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235264865 819057385 /nfs/dbraw/zinc/05/73/85/819057385.db2.gz QVRWVAXBPNLHEX-HIFRSBDPSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235276395 819061574 /nfs/dbraw/zinc/06/15/74/819061574.db2.gz YTTPBPXJWKZSRD-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235276395 819061580 /nfs/dbraw/zinc/06/15/80/819061580.db2.gz YTTPBPXJWKZSRD-WFASDCNBSA-N 2 2 298.352 3.198 20 0 CGADLP COc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1C(C)C ZINC001235901809 819212230 /nfs/dbraw/zinc/21/22/30/819212230.db2.gz DZJFLIXCYQGDDD-GOEBONIOSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1C(C)C ZINC001235901809 819212237 /nfs/dbraw/zinc/21/22/37/819212237.db2.gz DZJFLIXCYQGDDD-GOEBONIOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)s1 ZINC001235902895 819212279 /nfs/dbraw/zinc/21/22/79/819212279.db2.gz GWJYWPQTHOLIOV-NWDGAFQWSA-N 2 2 252.427 3.012 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)s1 ZINC001235902895 819212284 /nfs/dbraw/zinc/21/22/84/819212284.db2.gz GWJYWPQTHOLIOV-NWDGAFQWSA-N 2 2 252.427 3.012 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)s1 ZINC001235903718 819213291 /nfs/dbraw/zinc/21/32/91/819213291.db2.gz ITTYZGOMJJLBEC-STQMWFEESA-N 2 2 266.454 3.402 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)s1 ZINC001235903718 819213298 /nfs/dbraw/zinc/21/32/98/819213298.db2.gz ITTYZGOMJJLBEC-STQMWFEESA-N 2 2 266.454 3.402 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Cl ZINC001235938004 819231850 /nfs/dbraw/zinc/23/18/50/819231850.db2.gz KJVNACINKGVVKP-NWDGAFQWSA-N 2 2 299.245 3.343 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1Cl ZINC001235938004 819231859 /nfs/dbraw/zinc/23/18/59/819231859.db2.gz KJVNACINKGVVKP-NWDGAFQWSA-N 2 2 299.245 3.343 20 0 CGADLP CC[N@H+](Cc1sc2ccccc2c1C)[C@H]1CC[NH2+]C1 ZINC001235969843 819253835 /nfs/dbraw/zinc/25/38/35/819253835.db2.gz GWRFPANLJPYSIO-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP CC[N@@H+](Cc1sc2ccccc2c1C)[C@H]1CC[NH2+]C1 ZINC001235969843 819253838 /nfs/dbraw/zinc/25/38/38/819253838.db2.gz GWRFPANLJPYSIO-ZDUSSCGKSA-N 2 2 274.433 3.394 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236006714 819270217 /nfs/dbraw/zinc/27/02/17/819270217.db2.gz JGIYARDFMDJDEH-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236006714 819270221 /nfs/dbraw/zinc/27/02/21/819270221.db2.gz JGIYARDFMDJDEH-GOSISDBHSA-N 2 2 283.419 3.051 20 0 CGADLP CC[N@H+](Cc1c[nH]c2ccc(C)cc12)[C@H]1CCC[NH2+]C1 ZINC001236005711 819271201 /nfs/dbraw/zinc/27/12/01/819271201.db2.gz NHMIYYSKNSZYKV-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2ccc(C)cc12)[C@H]1CCC[NH2+]C1 ZINC001236005711 819271206 /nfs/dbraw/zinc/27/12/06/819271206.db2.gz NHMIYYSKNSZYKV-HNNXBMFYSA-N 2 2 271.408 3.050 20 0 CGADLP CC[N@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236007502 819272112 /nfs/dbraw/zinc/27/21/12/819272112.db2.gz NNQDRWGESMNYBQ-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@@H+](Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]C1 ZINC001236007502 819272119 /nfs/dbraw/zinc/27/21/19/819272119.db2.gz NNQDRWGESMNYBQ-OAHLLOKOSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001236009025 819272223 /nfs/dbraw/zinc/27/22/23/819272223.db2.gz KNOLGGLRPZGPDQ-ZDUSSCGKSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCC[NH2+]C1 ZINC001236009025 819272230 /nfs/dbraw/zinc/27/22/30/819272230.db2.gz KNOLGGLRPZGPDQ-ZDUSSCGKSA-N 2 2 276.355 3.146 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236008544 819272765 /nfs/dbraw/zinc/27/27/65/819272765.db2.gz SGANMHRSJIRCGT-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(C)c1)[C@H]1CCC[NH2+]C1 ZINC001236008544 819272769 /nfs/dbraw/zinc/27/27/69/819272769.db2.gz SGANMHRSJIRCGT-AWEZNQCLSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008501 819273118 /nfs/dbraw/zinc/27/31/18/819273118.db2.gz RQTJUKRJPCJXAY-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236008501 819273120 /nfs/dbraw/zinc/27/31/20/819273120.db2.gz RQTJUKRJPCJXAY-GOSISDBHSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@H+](Cc1ccc2sc(C)nc2c1)[C@H]1CCC[NH2+]C1 ZINC001236011349 819274493 /nfs/dbraw/zinc/27/44/93/819274493.db2.gz XPPQEOXJIHBPGH-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP CC[N@@H+](Cc1ccc2sc(C)nc2c1)[C@H]1CCC[NH2+]C1 ZINC001236011349 819274497 /nfs/dbraw/zinc/27/44/97/819274497.db2.gz XPPQEOXJIHBPGH-AWEZNQCLSA-N 2 2 289.448 3.179 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]([NH3+])Cc2ccccc2)cn1 ZINC001236041167 819280324 /nfs/dbraw/zinc/28/03/24/819280324.db2.gz JGUMUPZJFZGEPA-MOPGFXCFSA-N 2 2 295.430 3.097 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]([NH3+])Cc2ccccc2)cn1 ZINC001236041167 819280330 /nfs/dbraw/zinc/28/03/30/819280330.db2.gz JGUMUPZJFZGEPA-MOPGFXCFSA-N 2 2 295.430 3.097 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236043955 819282309 /nfs/dbraw/zinc/28/23/09/819282309.db2.gz GZWVRZUWEKJVKK-ZBFHGGJFSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236043955 819282314 /nfs/dbraw/zinc/28/23/14/819282314.db2.gz GZWVRZUWEKJVKK-ZBFHGGJFSA-N 2 2 276.424 3.035 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050387 819287192 /nfs/dbraw/zinc/28/71/92/819287192.db2.gz RNOQXNDKUUGZSN-KBXCAEBGSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236050387 819287199 /nfs/dbraw/zinc/28/71/99/819287199.db2.gz RNOQXNDKUUGZSN-KBXCAEBGSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052598 819288848 /nfs/dbraw/zinc/28/88/48/819288848.db2.gz SWZROTXNUAFUGO-SUMWQHHRSA-N 2 2 258.409 3.123 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052598 819288856 /nfs/dbraw/zinc/28/88/56/819288856.db2.gz SWZROTXNUAFUGO-SUMWQHHRSA-N 2 2 258.409 3.123 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052364 819288884 /nfs/dbraw/zinc/28/88/84/819288884.db2.gz QKKLLFXEYQTXFT-JSGCOSHPSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001236052364 819288891 /nfs/dbraw/zinc/28/88/91/819288891.db2.gz QKKLLFXEYQTXFT-JSGCOSHPSA-N 2 2 272.367 3.148 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001236071813 819300480 /nfs/dbraw/zinc/30/04/80/819300480.db2.gz JFPWEALHICZFHH-DNVCBOLYSA-N 2 2 280.415 3.003 20 0 CGADLP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]([NH3+])Cc1ccccc1 ZINC001236071813 819300484 /nfs/dbraw/zinc/30/04/84/819300484.db2.gz JFPWEALHICZFHH-DNVCBOLYSA-N 2 2 280.415 3.003 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c(C)c1C ZINC001236119594 819328210 /nfs/dbraw/zinc/32/82/10/819328210.db2.gz KTGOZCFUGJDTTC-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c(C)c1C ZINC001236119594 819328213 /nfs/dbraw/zinc/32/82/13/819328213.db2.gz KTGOZCFUGJDTTC-KRWDZBQOSA-N 2 2 274.452 3.413 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1C ZINC001236144008 819344978 /nfs/dbraw/zinc/34/49/78/819344978.db2.gz ONLKJZOWLVVZEC-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1C ZINC001236144008 819344984 /nfs/dbraw/zinc/34/49/84/819344984.db2.gz ONLKJZOWLVVZEC-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208739 819370862 /nfs/dbraw/zinc/37/08/62/819370862.db2.gz WSOURVVVRHLVDW-MRXNPFEDSA-N 2 2 264.388 3.016 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236208739 819370867 /nfs/dbraw/zinc/37/08/67/819370867.db2.gz WSOURVVVRHLVDW-MRXNPFEDSA-N 2 2 264.388 3.016 20 0 CGADLP CCCc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)s1 ZINC001236209694 819371811 /nfs/dbraw/zinc/37/18/11/819371811.db2.gz YRHRMOIZJGXBDZ-HNNXBMFYSA-N 2 2 266.454 3.275 20 0 CGADLP CCCc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)s1 ZINC001236209694 819371816 /nfs/dbraw/zinc/37/18/16/819371816.db2.gz YRHRMOIZJGXBDZ-HNNXBMFYSA-N 2 2 266.454 3.275 20 0 CGADLP CCCOc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216857 819383075 /nfs/dbraw/zinc/38/30/75/819383075.db2.gz LLWSJGTWYJHZHQ-HZPDHXFCSA-N 2 2 276.424 3.177 20 0 CGADLP CCCOc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216857 819383077 /nfs/dbraw/zinc/38/30/77/819383077.db2.gz LLWSJGTWYJHZHQ-HZPDHXFCSA-N 2 2 276.424 3.177 20 0 CGADLP Cc1cccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235993 819396591 /nfs/dbraw/zinc/39/65/91/819396591.db2.gz IBLXIMHZNAZTHN-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1cccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235993 819396599 /nfs/dbraw/zinc/39/65/99/819396599.db2.gz IBLXIMHZNAZTHN-MRXNPFEDSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237604 819396993 /nfs/dbraw/zinc/39/69/93/819396993.db2.gz SPGPCLNZUHRWHV-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001236237604 819396999 /nfs/dbraw/zinc/39/69/99/819396999.db2.gz SPGPCLNZUHRWHV-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001236288461 819414355 /nfs/dbraw/zinc/41/43/55/819414355.db2.gz ZUBIDNOGKJIWNE-CYBMUJFWSA-N 2 2 274.330 3.265 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001236288461 819414358 /nfs/dbraw/zinc/41/43/58/819414358.db2.gz ZUBIDNOGKJIWNE-CYBMUJFWSA-N 2 2 274.330 3.265 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303180 819416192 /nfs/dbraw/zinc/41/61/92/819416192.db2.gz MOGXKCCCDJNIQI-GWCFXTLKSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303180 819416194 /nfs/dbraw/zinc/41/61/94/819416194.db2.gz MOGXKCCCDJNIQI-GWCFXTLKSA-N 2 2 272.314 3.190 20 0 CGADLP CC[NH+](CC)Cc1cc(-c2ccc(N)[nH+]c2)ccc1OC ZINC001236315673 819421710 /nfs/dbraw/zinc/42/17/10/819421710.db2.gz BUXCXIWSOAMDPO-UHFFFAOYSA-N 2 2 285.391 3.181 20 0 CGADLP CCC[N@H+](Cc1cc(OC(C)C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC001236329694 819428511 /nfs/dbraw/zinc/42/85/11/819428511.db2.gz SMMCBALVJMCHMK-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP CCC[N@@H+](Cc1cc(OC(C)C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC001236329694 819428514 /nfs/dbraw/zinc/42/85/14/819428514.db2.gz SMMCBALVJMCHMK-QGZVFWFLSA-N 2 2 290.451 3.356 20 0 CGADLP C[C@@H]1C[C@H]1C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388547 819446234 /nfs/dbraw/zinc/44/62/34/819446234.db2.gz LYJOTJUHPWQMNH-KMFMINBZSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388547 819446238 /nfs/dbraw/zinc/44/62/38/819446238.db2.gz LYJOTJUHPWQMNH-KMFMINBZSA-N 2 2 276.399 3.036 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1C(C)C ZINC001236416920 819462397 /nfs/dbraw/zinc/46/23/97/819462397.db2.gz AJCBSLINCASWGC-WMLDXEAASA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1C(C)C ZINC001236416920 819462400 /nfs/dbraw/zinc/46/24/00/819462400.db2.gz AJCBSLINCASWGC-WMLDXEAASA-N 2 2 290.451 3.439 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001236432756 819477167 /nfs/dbraw/zinc/47/71/67/819477167.db2.gz BRRZUTIIHUQHNZ-GOSISDBHSA-N 2 2 284.378 3.226 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001236432756 819477170 /nfs/dbraw/zinc/47/71/70/819477170.db2.gz BRRZUTIIHUQHNZ-GOSISDBHSA-N 2 2 284.378 3.226 20 0 CGADLP Cc1csc2sc(C[N@@H+]3CC[C@](F)(C[NH3+])C3)c(C)c12 ZINC001236435664 819478121 /nfs/dbraw/zinc/47/81/21/819478121.db2.gz UUTLYRWVQCXBPF-AWEZNQCLSA-N 2 2 298.452 3.452 20 0 CGADLP Cc1csc2sc(C[N@H+]3CC[C@](F)(C[NH3+])C3)c(C)c12 ZINC001236435664 819478123 /nfs/dbraw/zinc/47/81/23/819478123.db2.gz UUTLYRWVQCXBPF-AWEZNQCLSA-N 2 2 298.452 3.452 20 0 CGADLP CC(C)[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236468716 819489713 /nfs/dbraw/zinc/48/97/13/819489713.db2.gz LDZBEMHEXCPDOZ-QGZVFWFLSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236468716 819489716 /nfs/dbraw/zinc/48/97/16/819489716.db2.gz LDZBEMHEXCPDOZ-QGZVFWFLSA-N 2 2 298.434 3.039 20 0 CGADLP CC(C)[N@H+](Cc1ccc2ccsc2c1)[C@@H]1CC[NH2+]C1 ZINC001236525271 819516864 /nfs/dbraw/zinc/51/68/64/819516864.db2.gz AWGXLHACSOSJSV-OAHLLOKOSA-N 2 2 274.433 3.474 20 0 CGADLP CC(C)[N@@H+](Cc1ccc2ccsc2c1)[C@@H]1CC[NH2+]C1 ZINC001236525271 819516867 /nfs/dbraw/zinc/51/68/67/819516867.db2.gz AWGXLHACSOSJSV-OAHLLOKOSA-N 2 2 274.433 3.474 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC001236526162 819518086 /nfs/dbraw/zinc/51/80/86/819518086.db2.gz CQOMJDIRRSKBHM-QGZVFWFLSA-N 2 2 290.451 3.355 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC001236526162 819518092 /nfs/dbraw/zinc/51/80/92/819518092.db2.gz CQOMJDIRRSKBHM-QGZVFWFLSA-N 2 2 290.451 3.355 20 0 CGADLP CC(C)(C)CC[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646195 819560617 /nfs/dbraw/zinc/56/06/17/819560617.db2.gz FBNQUENDLULDJR-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)(C)CC[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646195 819560622 /nfs/dbraw/zinc/56/06/22/819560622.db2.gz FBNQUENDLULDJR-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP Nc1[nH+]cccc1-c1ccc(C[NH+]2CCCCC2)c(F)c1 ZINC001243478203 823416090 /nfs/dbraw/zinc/41/60/90/823416090.db2.gz UZTAQAJVEFNYQY-UHFFFAOYSA-N 2 2 285.366 3.456 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(Cl)c(C)c1 ZINC001236885127 819630431 /nfs/dbraw/zinc/63/04/31/819630431.db2.gz YYMBXOGAHUDAHR-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(Cl)c(C)c1 ZINC001236885127 819630434 /nfs/dbraw/zinc/63/04/34/819630434.db2.gz YYMBXOGAHUDAHR-ZDUSSCGKSA-N 2 2 254.805 3.126 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Br)c(C)c1C ZINC001236883441 819630968 /nfs/dbraw/zinc/63/09/68/819630968.db2.gz AWAGYPGQBXOHHT-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Br)c(C)c1C ZINC001236883441 819630970 /nfs/dbraw/zinc/63/09/70/819630970.db2.gz AWAGYPGQBXOHHT-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1cc(OCc2ccccc2)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236899591 819635649 /nfs/dbraw/zinc/63/56/49/819635649.db2.gz MGOACDIYUJZBMX-INIZCTEOSA-N 2 2 298.430 3.353 20 0 CGADLP Cc1cc(OCc2ccccc2)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236899591 819635655 /nfs/dbraw/zinc/63/56/55/819635655.db2.gz MGOACDIYUJZBMX-INIZCTEOSA-N 2 2 298.430 3.353 20 0 CGADLP CC/C=C\CCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019088 819645663 /nfs/dbraw/zinc/64/56/63/819645663.db2.gz BOOFLAJHHMMYKQ-LIMHQNJXSA-N 2 2 258.409 3.118 20 0 CGADLP CC/C=C\CCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019088 819645668 /nfs/dbraw/zinc/64/56/68/819645668.db2.gz BOOFLAJHHMMYKQ-LIMHQNJXSA-N 2 2 258.409 3.118 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237081835 819662796 /nfs/dbraw/zinc/66/27/96/819662796.db2.gz MVBQMIZOFYBCHV-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001237081835 819662797 /nfs/dbraw/zinc/66/27/97/819662797.db2.gz MVBQMIZOFYBCHV-MRXNPFEDSA-N 2 2 296.842 3.300 20 0 CGADLP Cc1csc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237155132 819681547 /nfs/dbraw/zinc/68/15/47/819681547.db2.gz OJOWJAXFGLNESH-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1csc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237155132 819681551 /nfs/dbraw/zinc/68/15/51/819681551.db2.gz OJOWJAXFGLNESH-CQSZACIVSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)sc1C ZINC001237154414 819681633 /nfs/dbraw/zinc/68/16/33/819681633.db2.gz BCDQZUHJFCIDSR-HNNXBMFYSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)sc1C ZINC001237154414 819681637 /nfs/dbraw/zinc/68/16/37/819681637.db2.gz BCDQZUHJFCIDSR-HNNXBMFYSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237384075 819739512 /nfs/dbraw/zinc/73/95/12/819739512.db2.gz UFCJDZCBFDGDPM-YOEHRIQHSA-N 2 2 283.419 3.050 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237384075 819739519 /nfs/dbraw/zinc/73/95/19/819739519.db2.gz UFCJDZCBFDGDPM-YOEHRIQHSA-N 2 2 283.419 3.050 20 0 CGADLP CCc1cc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)ccc1Cl ZINC001237742303 819834084 /nfs/dbraw/zinc/83/40/84/819834084.db2.gz RROKYLDIHGVNOM-HZPDHXFCSA-N 2 2 292.854 3.286 20 0 CGADLP CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1F ZINC001237957205 819896896 /nfs/dbraw/zinc/89/68/96/819896896.db2.gz JXQSJXASAWLBNF-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1F ZINC001237957205 819896900 /nfs/dbraw/zinc/89/69/00/819896900.db2.gz JXQSJXASAWLBNF-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP c1cc2c[nH+]cc(-c3ccc(Cn4cc[nH+]c4)cc3)c2[nH]1 ZINC001243657387 823476401 /nfs/dbraw/zinc/47/64/01/823476401.db2.gz LBJGJZJSLCNOCI-UHFFFAOYSA-N 2 2 274.327 3.475 20 0 CGADLP c1cn2cc(-c3ccccc3C3CC[NH2+]CC3)ccc2[nH+]1 ZINC001240221060 820896425 /nfs/dbraw/zinc/89/64/25/820896425.db2.gz FKPQECUENVADDK-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP C[NH+](C)Cc1cccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240517971 821114502 /nfs/dbraw/zinc/11/45/02/821114502.db2.gz JNQVXCJSULFFLL-UHFFFAOYSA-N 2 2 269.323 3.202 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc3cc[nH]c3c2)C1 ZINC001240797581 821339799 /nfs/dbraw/zinc/33/97/99/821339799.db2.gz KSTAXDXYCQDTML-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3cc[nH]c3c2)C1 ZINC001240797581 821339805 /nfs/dbraw/zinc/33/98/05/821339805.db2.gz KSTAXDXYCQDTML-QGZVFWFLSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001241993805 822261539 /nfs/dbraw/zinc/26/15/39/822261539.db2.gz DBTQOOKQWRYROW-MRXNPFEDSA-N 2 2 252.361 3.442 20 0 CGADLP Cc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1F ZINC001242239057 822922260 /nfs/dbraw/zinc/92/22/60/822922260.db2.gz UGTKCHNGLJPXLT-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1F ZINC001242239057 822922263 /nfs/dbraw/zinc/92/22/63/822922263.db2.gz UGTKCHNGLJPXLT-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP CCc1ccc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)[nH+]c1 ZINC001339815495 936386776 /nfs/dbraw/zinc/38/67/76/936386776.db2.gz ODVCAPXUTJFWJR-UHFFFAOYSA-N 2 2 284.407 3.368 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC001340969504 936421842 /nfs/dbraw/zinc/42/18/42/936421842.db2.gz RPUDVEKBZMMWJZ-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC001340969504 936421845 /nfs/dbraw/zinc/42/18/45/936421845.db2.gz RPUDVEKBZMMWJZ-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP Cc1cc([NH2+][C@H](C)C2CCC2)ccc1N1CC[NH+](C)CC1 ZINC001344367599 936532190 /nfs/dbraw/zinc/53/21/90/936532190.db2.gz YGKBPDUCGUWFCY-OAHLLOKOSA-N 2 2 287.451 3.347 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929680 937238666 /nfs/dbraw/zinc/23/86/66/937238666.db2.gz GJCDAHGRUGSNMP-XHSDSOJGSA-N 2 2 252.446 3.131 20 0 CGADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC001459373984 937486854 /nfs/dbraw/zinc/48/68/54/937486854.db2.gz ITASQFLBZBADKK-UHFFFAOYSA-N 2 2 279.334 3.074 20 0 CGADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1F ZINC001459373984 937486856 /nfs/dbraw/zinc/48/68/56/937486856.db2.gz ITASQFLBZBADKK-UHFFFAOYSA-N 2 2 279.334 3.074 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH+]2CCC(c3c[nH+]cn3C)CC2)C1 ZINC001460960251 937556200 /nfs/dbraw/zinc/55/62/00/937556200.db2.gz RCWHLLNIHGRTNF-HUUCEWRRSA-N 2 2 275.440 3.426 20 0 CGADLP CCCC1CCC(C[NH2+]CC[NH+]2CCCC2)CC1 ZINC001461004523 937559200 /nfs/dbraw/zinc/55/92/00/937559200.db2.gz VNEOMRTTWPSARR-UHFFFAOYSA-N 2 2 252.446 3.278 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001461046335 937561776 /nfs/dbraw/zinc/56/17/76/937561776.db2.gz YSWZRQBHAKUXPX-DLBZAZTESA-N 2 2 264.457 3.300 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnc1F ZINC001461108103 937563993 /nfs/dbraw/zinc/56/39/93/937563993.db2.gz YQBXTYCWUMLESL-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP CC[N@H+](CC[NH2+]C1CCC2(CCC2)CC1)C1CC1 ZINC001461131102 937565489 /nfs/dbraw/zinc/56/54/89/937565489.db2.gz QVARKMXBIGAWDO-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+](CC[NH2+]C1CCC2(CCC2)CC1)C1CC1 ZINC001461131102 937565491 /nfs/dbraw/zinc/56/54/91/937565491.db2.gz QVARKMXBIGAWDO-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001462158149 937621970 /nfs/dbraw/zinc/62/19/70/937621970.db2.gz PJEVPJAYJGNCPL-OAGGEKHMSA-N 2 2 264.457 3.134 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001462158149 937621972 /nfs/dbraw/zinc/62/19/72/937621972.db2.gz PJEVPJAYJGNCPL-OAGGEKHMSA-N 2 2 264.457 3.134 20 0 CGADLP Clc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001462386944 937637531 /nfs/dbraw/zinc/63/75/31/937637531.db2.gz NUIYXHQMANLXHS-SJORKVTESA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001462386944 937637532 /nfs/dbraw/zinc/63/75/32/937637532.db2.gz NUIYXHQMANLXHS-SJORKVTESA-N 2 2 292.854 3.489 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC001462457011 937642888 /nfs/dbraw/zinc/64/28/88/937642888.db2.gz DGDYEYJJUSMCQA-HOCLYGCPSA-N 2 2 286.419 3.438 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC001462457011 937642892 /nfs/dbraw/zinc/64/28/92/937642892.db2.gz DGDYEYJJUSMCQA-HOCLYGCPSA-N 2 2 286.419 3.438 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CCO1 ZINC001308243894 933079826 /nfs/dbraw/zinc/07/98/26/933079826.db2.gz GCEHKLCKFUZJKT-HOTGVXAUSA-N 2 2 291.439 3.067 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001308385867 933104717 /nfs/dbraw/zinc/10/47/17/933104717.db2.gz TVMZZLGTXSAALZ-HUUCEWRRSA-N 2 2 284.513 3.372 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001308385867 933104721 /nfs/dbraw/zinc/10/47/21/933104721.db2.gz TVMZZLGTXSAALZ-HUUCEWRRSA-N 2 2 284.513 3.372 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC001308485059 933119034 /nfs/dbraw/zinc/11/90/34/933119034.db2.gz ZJHMKOMAVNKBGS-HWMZRRJGSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC001308485059 933119038 /nfs/dbraw/zinc/11/90/38/933119038.db2.gz ZJHMKOMAVNKBGS-HWMZRRJGSA-N 2 2 264.457 3.418 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001308967013 933216605 /nfs/dbraw/zinc/21/66/05/933216605.db2.gz HPXMNTAOXHJRGT-AWEZNQCLSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]CCc1ccc(F)cc1Cl ZINC001308967013 933216608 /nfs/dbraw/zinc/21/66/08/933216608.db2.gz HPXMNTAOXHJRGT-AWEZNQCLSA-N 2 2 284.806 3.096 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319948732 933964626 /nfs/dbraw/zinc/96/46/26/933964626.db2.gz RGXKOUASMXCHQE-OAHLLOKOSA-N 2 2 285.391 3.368 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001319948732 933964633 /nfs/dbraw/zinc/96/46/33/933964633.db2.gz RGXKOUASMXCHQE-OAHLLOKOSA-N 2 2 285.391 3.368 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001320574089 934066841 /nfs/dbraw/zinc/06/68/41/934066841.db2.gz ISMAECRSFYBKMW-AWEZNQCLSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1cc([NH2+]C2CC(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001322286841 934271321 /nfs/dbraw/zinc/27/13/21/934271321.db2.gz PFPDRJFXACWEMZ-UHFFFAOYSA-N 2 2 287.451 3.347 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sccc1Br ZINC001325742431 934926562 /nfs/dbraw/zinc/92/65/62/934926562.db2.gz FJSVCDZADKJFIC-RKDXNWHRSA-N 2 2 291.258 3.159 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC001326158337 934954828 /nfs/dbraw/zinc/95/48/28/934954828.db2.gz ATYPCISRBNPRJY-TZMCWYRMSA-N 2 2 298.390 3.341 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908500 935419805 /nfs/dbraw/zinc/41/98/05/935419805.db2.gz VYKZJSLDQFUKPT-WMLDXEAASA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908500 935419807 /nfs/dbraw/zinc/41/98/07/935419807.db2.gz VYKZJSLDQFUKPT-WMLDXEAASA-N 2 2 281.403 3.074 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)c(F)c1 ZINC001332401201 935465925 /nfs/dbraw/zinc/46/59/25/935465925.db2.gz KPZFBIGRMJSQST-ZTZIUTFPSA-N 2 2 294.801 3.126 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC001474495540 937863078 /nfs/dbraw/zinc/86/30/78/937863078.db2.gz IJPDHXRSBXCONE-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001474495540 937863080 /nfs/dbraw/zinc/86/30/80/937863080.db2.gz IJPDHXRSBXCONE-LJQANCHMSA-N 2 2 286.463 3.452 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001474739726 937877806 /nfs/dbraw/zinc/87/78/06/937877806.db2.gz BBUZNZMGWIEHHX-ARFHVFGLSA-N 2 2 284.488 3.144 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549035838 938000774 /nfs/dbraw/zinc/00/07/74/938000774.db2.gz CHRAMOVGTNOMIQ-LSDHHAIUSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001549035838 938000775 /nfs/dbraw/zinc/00/07/75/938000775.db2.gz CHRAMOVGTNOMIQ-LSDHHAIUSA-N 2 2 290.407 3.122 20 0 CGADLP CC(=O)c1cccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001548851858 938152545 /nfs/dbraw/zinc/15/25/45/938152545.db2.gz OKOJSHNJYXZKHL-KRWDZBQOSA-N 2 2 297.402 3.002 20 0 CGADLP CC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C)C2)c1 ZINC001548851858 938152546 /nfs/dbraw/zinc/15/25/46/938152546.db2.gz OKOJSHNJYXZKHL-KRWDZBQOSA-N 2 2 297.402 3.002 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC001550621436 938168817 /nfs/dbraw/zinc/16/88/17/938168817.db2.gz JLSYPZYORPLZFW-SJORKVTESA-N 2 2 295.430 3.330 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001550621436 938168818 /nfs/dbraw/zinc/16/88/18/938168818.db2.gz JLSYPZYORPLZFW-SJORKVTESA-N 2 2 295.430 3.330 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001551377386 938180382 /nfs/dbraw/zinc/18/03/82/938180382.db2.gz HSQGPBSOTLCOIY-CXTZMWEQSA-N 2 2 298.352 3.322 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])C1CCC(F)(F)CC1 ZINC001551378822 938180686 /nfs/dbraw/zinc/18/06/86/938180686.db2.gz SRFBQZFQNYFDEP-XZJROXQQSA-N 2 2 294.389 3.415 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC001559751963 938234699 /nfs/dbraw/zinc/23/46/99/938234699.db2.gz PKBWUZZKZWAQMM-ZNMIVQPWSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC001559751963 938234700 /nfs/dbraw/zinc/23/47/00/938234700.db2.gz PKBWUZZKZWAQMM-ZNMIVQPWSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)Cc1ccccc1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001560084724 938243632 /nfs/dbraw/zinc/24/36/32/938243632.db2.gz ZASIORZSFYTLRX-UHFFFAOYSA-N 2 2 295.430 3.421 20 0 CGADLP CC(C)Cc1ccccc1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001560084724 938243633 /nfs/dbraw/zinc/24/36/33/938243633.db2.gz ZASIORZSFYTLRX-UHFFFAOYSA-N 2 2 295.430 3.421 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929319 938284587 /nfs/dbraw/zinc/28/45/87/938284587.db2.gz VHOBRVTVGKYLLT-SQWLQELKSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929319 938284588 /nfs/dbraw/zinc/28/45/88/938284588.db2.gz VHOBRVTVGKYLLT-SQWLQELKSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001560972602 938287493 /nfs/dbraw/zinc/28/74/93/938287493.db2.gz SCFXPUYGCISMQX-ZBFHGGJFSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001560972602 938287495 /nfs/dbraw/zinc/28/74/95/938287495.db2.gz SCFXPUYGCISMQX-ZBFHGGJFSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001560972602 938287496 /nfs/dbraw/zinc/28/74/96/938287496.db2.gz SCFXPUYGCISMQX-ZBFHGGJFSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001560972602 938287498 /nfs/dbraw/zinc/28/74/98/938287498.db2.gz SCFXPUYGCISMQX-ZBFHGGJFSA-N 2 2 290.451 3.412 20 0 CGADLP C[NH2+]CC[N@H+](CCCSCc1ccccc1)C(C)C ZINC001578704932 960480569 /nfs/dbraw/zinc/48/05/69/960480569.db2.gz KJPMVFWBONFSMD-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP C[NH2+]CC[N@@H+](CCCSCc1ccccc1)C(C)C ZINC001578704932 960480580 /nfs/dbraw/zinc/48/05/80/960480580.db2.gz KJPMVFWBONFSMD-UHFFFAOYSA-N 2 2 280.481 3.240 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CC(Cc2ccccc2)C1 ZINC001575131433 962357761 /nfs/dbraw/zinc/35/77/61/962357761.db2.gz UUPVKDUOCLTNNY-QGZVFWFLSA-N 2 2 274.452 3.315 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001575499567 962376108 /nfs/dbraw/zinc/37/61/08/962376108.db2.gz ULEINLLJUNKHTC-RKTXRCNFSA-N 2 2 258.409 3.025 20 0 CGADLP CC(C)C[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1Br ZINC001575530486 962387478 /nfs/dbraw/zinc/38/74/78/962387478.db2.gz CSXLHSQRLZIUFR-AWEZNQCLSA-N 2 2 299.256 3.302 20 0 CGADLP C[C@H]1C[C@H](CC[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C[C@@H](C)C1 ZINC001576590065 962472476 /nfs/dbraw/zinc/47/24/76/962472476.db2.gz XRQYMFKGRVTSFH-YJNKXOJESA-N 2 2 252.446 3.118 20 0 CGADLP C[C@H]1C[C@H](CC[N@H+]2C[C@H]([NH3+])C(C)(C)C2)C[C@@H](C)C1 ZINC001576590065 962472487 /nfs/dbraw/zinc/47/24/87/962472487.db2.gz XRQYMFKGRVTSFH-YJNKXOJESA-N 2 2 252.446 3.118 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](COC)CC(C)(C)C ZINC001578275643 962583670 /nfs/dbraw/zinc/58/36/70/962583670.db2.gz UEIWWJVYSMGSOT-WBVHZDCISA-N 2 2 292.467 3.290 20 0 CGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC001579551493 962639831 /nfs/dbraw/zinc/63/98/31/962639831.db2.gz MESUTHICZCUNFU-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC001579551493 962639844 /nfs/dbraw/zinc/63/98/44/962639844.db2.gz MESUTHICZCUNFU-BXUZGUMPSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001579754613 962674477 /nfs/dbraw/zinc/67/44/77/962674477.db2.gz JFXDUSXFQSLDEZ-RBUKOAKNSA-N 2 2 298.405 3.369 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001579754613 962674486 /nfs/dbraw/zinc/67/44/86/962674486.db2.gz JFXDUSXFQSLDEZ-RBUKOAKNSA-N 2 2 298.405 3.369 20 0 CGADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCCCc3ccccc32)C1 ZINC001580386988 962712211 /nfs/dbraw/zinc/71/22/11/962712211.db2.gz CBEXRBZJHGEDAB-GOEBONIOSA-N 2 2 258.409 3.347 20 0 CGADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCCCc3ccccc32)C1 ZINC001580386988 962712215 /nfs/dbraw/zinc/71/22/15/962712215.db2.gz CBEXRBZJHGEDAB-GOEBONIOSA-N 2 2 258.409 3.347 20 0 CGADLP c1ccc(Nc2ccc(NCC3CC[NH2+]CC3)[nH+]c2)cc1 ZINC001580895830 962741895 /nfs/dbraw/zinc/74/18/95/962741895.db2.gz UKBDOFIMHPVASI-UHFFFAOYSA-N 2 2 282.391 3.237 20 0 CGADLP c1[nH+]c(-c2cccc(N[C@H]3CCC[NH2+]C3)c2)n2c1CCCC2 ZINC001580891497 962741927 /nfs/dbraw/zinc/74/19/27/962741927.db2.gz ZXZMBZUJXNMZMD-INIZCTEOSA-N 2 2 296.418 3.050 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390994 214049309 /nfs/dbraw/zinc/04/93/09/214049309.db2.gz NORIDULQWDWNSB-QLFBSQMISA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337390994 214049310 /nfs/dbraw/zinc/04/93/10/214049310.db2.gz NORIDULQWDWNSB-QLFBSQMISA-N 2 2 273.424 3.055 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@@H+]1CCCC[C@H]1C ZINC000337407177 214060789 /nfs/dbraw/zinc/06/07/89/214060789.db2.gz UUJANRRUBUECBD-IKGGRYGDSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@H]1C ZINC000337407177 214060791 /nfs/dbraw/zinc/06/07/91/214060791.db2.gz UUJANRRUBUECBD-IKGGRYGDSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2OC(F)F)c[nH+]1 ZINC000337552309 214152611 /nfs/dbraw/zinc/15/26/11/214152611.db2.gz STUVSNFKDALPQJ-UONOGXRCSA-N 2 2 284.350 3.073 20 0 CGADLP CC[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000125018354 187166448 /nfs/dbraw/zinc/16/64/48/187166448.db2.gz CVDQWXKIDBMNDB-MRXNPFEDSA-N 2 2 299.374 3.153 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3cccc4c3CCC4)CC2)[nH+]1 ZINC000651640718 398260930 /nfs/dbraw/zinc/26/09/30/398260930.db2.gz YBNGESCURQLEGC-UHFFFAOYSA-N 2 2 281.403 3.278 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358174041 529393701 /nfs/dbraw/zinc/39/37/01/529393701.db2.gz WIIGXEJXVYLRKD-HUUCEWRRSA-N 2 2 275.440 3.070 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863322 398297597 /nfs/dbraw/zinc/29/75/97/398297597.db2.gz CZVPCAFNPCTFEN-LRDDRELGSA-N 2 2 286.444 3.474 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000651863322 398297599 /nfs/dbraw/zinc/29/75/99/398297599.db2.gz CZVPCAFNPCTFEN-LRDDRELGSA-N 2 2 286.444 3.474 20 0 CGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000449400867 529416211 /nfs/dbraw/zinc/41/62/11/529416211.db2.gz DNNGSMIQHOSLRH-DOMZBBRYSA-N 2 2 293.436 3.085 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423481048 529452974 /nfs/dbraw/zinc/45/29/74/529452974.db2.gz WLCWHRNLNSPLSR-INIZCTEOSA-N 2 2 290.357 3.381 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000423463985 529453587 /nfs/dbraw/zinc/45/35/87/529453587.db2.gz LQDFCBJJIMPUAZ-SKDRFNHKSA-N 2 2 266.772 3.474 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689655 529551605 /nfs/dbraw/zinc/55/16/05/529551605.db2.gz GDYLEOFUNQTCIL-HZPDHXFCSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689655 529551606 /nfs/dbraw/zinc/55/16/06/529551606.db2.gz GDYLEOFUNQTCIL-HZPDHXFCSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423463967 529569197 /nfs/dbraw/zinc/56/91/97/529569197.db2.gz LOXMHSWKCZTBQU-DGCLKSJQSA-N 2 2 275.421 3.198 20 0 CGADLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1F ZINC000423321809 529591547 /nfs/dbraw/zinc/59/15/47/529591547.db2.gz HNPPBFKWJDUJBS-LBPRGKRZSA-N 2 2 270.779 3.401 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1Br ZINC000423282407 529611826 /nfs/dbraw/zinc/61/18/26/529611826.db2.gz VZCYUCBYPDBCRJ-KGLIPLIRSA-N 2 2 299.256 3.473 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C ZINC000414057489 529627168 /nfs/dbraw/zinc/62/71/68/529627168.db2.gz FZBZVZDFTALCSB-OLMNPRSZSA-N 2 2 283.419 3.456 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1F ZINC000368102931 529672730 /nfs/dbraw/zinc/67/27/30/529672730.db2.gz QUWFZRVLHLWYRN-FZMZJTMJSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1F ZINC000368102931 529672731 /nfs/dbraw/zinc/67/27/31/529672731.db2.gz QUWFZRVLHLWYRN-FZMZJTMJSA-N 2 2 291.345 3.286 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411955 349802190 /nfs/dbraw/zinc/80/21/90/349802190.db2.gz ROKQJWYWEHDCPM-DZGCQCFKSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1(C)C ZINC000623411955 349802192 /nfs/dbraw/zinc/80/21/92/349802192.db2.gz ROKQJWYWEHDCPM-DZGCQCFKSA-N 2 2 292.398 3.112 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000591709760 346934035 /nfs/dbraw/zinc/93/40/35/346934035.db2.gz SEUFEJWPKJWXDF-HOCLYGCPSA-N 2 2 260.425 3.458 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000591709760 346934039 /nfs/dbraw/zinc/93/40/39/346934039.db2.gz SEUFEJWPKJWXDF-HOCLYGCPSA-N 2 2 260.425 3.458 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)o1 ZINC000423503864 529707212 /nfs/dbraw/zinc/70/72/12/529707212.db2.gz NDFOWHTWDSIEJL-RISCZKNCSA-N 2 2 250.386 3.010 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427863829 529707660 /nfs/dbraw/zinc/70/76/60/529707660.db2.gz ZPNKGZUYISKHPW-CZUORRHYSA-N 2 2 269.392 3.111 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000623431165 349807923 /nfs/dbraw/zinc/80/79/23/349807923.db2.gz WVIMEBXYLLVGJY-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000623431165 349807927 /nfs/dbraw/zinc/80/79/27/349807927.db2.gz WVIMEBXYLLVGJY-KOLCDFICSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866762 346942995 /nfs/dbraw/zinc/94/29/95/346942995.db2.gz FDMVGFDFKZUTOU-CZUORRHYSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866762 346942998 /nfs/dbraw/zinc/94/29/98/346942998.db2.gz FDMVGFDFKZUTOU-CZUORRHYSA-N 2 2 273.355 3.420 20 0 CGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868411 346943853 /nfs/dbraw/zinc/94/38/53/346943853.db2.gz ZYMNBKGIQRTLPL-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868411 346943858 /nfs/dbraw/zinc/94/38/58/346943858.db2.gz ZYMNBKGIQRTLPL-MRXNPFEDSA-N 2 2 285.391 3.037 20 0 CGADLP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915780 346946694 /nfs/dbraw/zinc/94/66/94/346946694.db2.gz OSOHUTXGTOTAOV-AUNFYEFLSA-N 2 2 267.376 3.233 20 0 CGADLP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915780 346946696 /nfs/dbraw/zinc/94/66/96/346946696.db2.gz OSOHUTXGTOTAOV-AUNFYEFLSA-N 2 2 267.376 3.233 20 0 CGADLP Cc1nc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cs1 ZINC000351470202 219099093 /nfs/dbraw/zinc/09/90/93/219099093.db2.gz ARHHIHMOAUSDMO-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1nc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cs1 ZINC000351470202 219099096 /nfs/dbraw/zinc/09/90/96/219099096.db2.gz ARHHIHMOAUSDMO-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP CC1(C)CCC[C@@H]1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623584120 349840755 /nfs/dbraw/zinc/84/07/55/349840755.db2.gz JOBOVOZOQVOSLY-CYBMUJFWSA-N 2 2 261.413 3.135 20 0 CGADLP C[NH2+]CC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423250558 529979128 /nfs/dbraw/zinc/97/91/28/529979128.db2.gz ULRVKXHHJOWLPP-CQSZACIVSA-N 2 2 294.851 3.494 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423227774 529979277 /nfs/dbraw/zinc/97/92/77/529979277.db2.gz WYHKLSVZTJQUGW-SNVBAGLBSA-N 2 2 293.411 3.128 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](C/C=C\c1ccccc1)CC2 ZINC000411438219 530051696 /nfs/dbraw/zinc/05/16/96/530051696.db2.gz BMKTXEASOICQHS-UITAMQMPSA-N 2 2 270.420 3.260 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](C/C=C\c1ccccc1)CC2 ZINC000411438219 530051697 /nfs/dbraw/zinc/05/16/97/530051697.db2.gz BMKTXEASOICQHS-UITAMQMPSA-N 2 2 270.420 3.260 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000623951062 349925615 /nfs/dbraw/zinc/92/56/15/349925615.db2.gz YDHYJKIKLABUNL-HNNXBMFYSA-N 2 2 284.407 3.157 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000623951062 349925618 /nfs/dbraw/zinc/92/56/18/349925618.db2.gz YDHYJKIKLABUNL-HNNXBMFYSA-N 2 2 284.407 3.157 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000063192001 345244154 /nfs/dbraw/zinc/24/41/54/345244154.db2.gz HYFZHOPUUBJGKE-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000063192001 345244157 /nfs/dbraw/zinc/24/41/57/345244157.db2.gz HYFZHOPUUBJGKE-BXUZGUMPSA-N 2 2 252.427 3.012 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000069393253 345379497 /nfs/dbraw/zinc/37/94/97/345379497.db2.gz DPXCAXOZCOWBQI-UONOGXRCSA-N 2 2 292.389 3.429 20 0 CGADLP C[C@H](CC[NH2+][C@H]1CCCc2scnc21)[NH+]1CCCCC1 ZINC000623959650 349929311 /nfs/dbraw/zinc/92/93/11/349929311.db2.gz XIJLKMMKYMWTSH-KGLIPLIRSA-N 2 2 293.480 3.375 20 0 CGADLP Fc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000076853467 345553140 /nfs/dbraw/zinc/55/31/40/345553140.db2.gz RNPROZZKFDVURP-UHFFFAOYSA-N 2 2 285.366 3.297 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000080338526 345671813 /nfs/dbraw/zinc/67/18/13/345671813.db2.gz TVWZYDJVBUPHMJ-RDJZCZTQSA-N 2 2 284.403 3.422 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000080338526 345671816 /nfs/dbraw/zinc/67/18/16/345671816.db2.gz TVWZYDJVBUPHMJ-RDJZCZTQSA-N 2 2 284.403 3.422 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080944717 345689906 /nfs/dbraw/zinc/68/99/06/345689906.db2.gz SJMXXWGJXZAARY-LBPRGKRZSA-N 2 2 289.427 3.189 20 0 CGADLP c1c[nH+]c([C@H]2CCCN(c3cc[nH+]c4ccsc43)C2)[nH]1 ZINC000091479721 345815605 /nfs/dbraw/zinc/81/56/05/345815605.db2.gz CBWPJHAVLQASAA-NSHDSACASA-N 2 2 284.388 3.403 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2cccc(F)c2[nH+]1 ZINC000091483111 345816708 /nfs/dbraw/zinc/81/67/08/345816708.db2.gz XYBATBZBZBQMLD-CYBMUJFWSA-N 2 2 287.382 3.436 20 0 CGADLP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cccc(F)c2[nH+]1 ZINC000091483111 345816710 /nfs/dbraw/zinc/81/67/10/345816710.db2.gz XYBATBZBZBQMLD-CYBMUJFWSA-N 2 2 287.382 3.436 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000090047736 345779210 /nfs/dbraw/zinc/77/92/10/345779210.db2.gz FUXFZLNBVYGEJY-SJLPKXTDSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090116998 345783859 /nfs/dbraw/zinc/78/38/59/345783859.db2.gz NHMUCWALBZAAKJ-JKSUJKDBSA-N 2 2 289.467 3.460 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072740 345829876 /nfs/dbraw/zinc/82/98/76/345829876.db2.gz LVARRCPHAGZFGM-RRGWEWPQSA-N 2 2 297.402 3.311 20 0 CGADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072740 345829879 /nfs/dbraw/zinc/82/98/79/345829879.db2.gz LVARRCPHAGZFGM-RRGWEWPQSA-N 2 2 297.402 3.311 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000093116467 345869967 /nfs/dbraw/zinc/86/99/67/345869967.db2.gz SLYRNLBNGFXPCE-HNJNHCNJSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000093116467 345869969 /nfs/dbraw/zinc/86/99/69/345869969.db2.gz SLYRNLBNGFXPCE-HNJNHCNJSA-N 2 2 288.410 3.418 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119034 199355724 /nfs/dbraw/zinc/35/57/24/199355724.db2.gz WMKBLKXAJJTZPY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119034 199355725 /nfs/dbraw/zinc/35/57/25/199355725.db2.gz WMKBLKXAJJTZPY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119034 199355726 /nfs/dbraw/zinc/35/57/26/199355726.db2.gz WMKBLKXAJJTZPY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119034 199355727 /nfs/dbraw/zinc/35/57/27/199355727.db2.gz WMKBLKXAJJTZPY-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596974 345884359 /nfs/dbraw/zinc/88/43/59/345884359.db2.gz AJQBZJBARYGHQE-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596974 345884362 /nfs/dbraw/zinc/88/43/62/345884362.db2.gz AJQBZJBARYGHQE-HNNXBMFYSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000175903146 232327432 /nfs/dbraw/zinc/32/74/32/232327432.db2.gz OMNGWLFHZNMDCN-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000175903146 232327435 /nfs/dbraw/zinc/32/74/35/232327435.db2.gz OMNGWLFHZNMDCN-LJQANCHMSA-N 2 2 286.463 3.488 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Nc1[nH+]ccc2ccccc21 ZINC000168675991 346191452 /nfs/dbraw/zinc/19/14/52/346191452.db2.gz JJZPUCBFOKDOAF-CYBMUJFWSA-N 2 2 257.381 3.377 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000624101454 349970735 /nfs/dbraw/zinc/97/07/35/349970735.db2.gz HCTXJOXMUTYYRT-GVDBMIGSSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000624101454 349970736 /nfs/dbraw/zinc/97/07/36/349970736.db2.gz HCTXJOXMUTYYRT-GVDBMIGSSA-N 2 2 287.451 3.100 20 0 CGADLP CS[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000593653246 347099447 /nfs/dbraw/zinc/09/94/47/347099447.db2.gz ALJUMYOOMIYBJW-HUUCEWRRSA-N 2 2 289.448 3.407 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000584776486 346713434 /nfs/dbraw/zinc/71/34/34/346713434.db2.gz DDFPVAAYWVLBDM-KRWDZBQOSA-N 2 2 267.376 3.068 20 0 CGADLP C[C@@H](CSCCF)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000595082299 347279674 /nfs/dbraw/zinc/27/96/74/347279674.db2.gz YFSOZRUVLPLMGV-KBPBESRZSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@@H](CSCCF)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595082299 347279680 /nfs/dbraw/zinc/27/96/80/347279680.db2.gz YFSOZRUVLPLMGV-KBPBESRZSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063591 347712926 /nfs/dbraw/zinc/71/29/26/347712926.db2.gz DLGKOBOCGNBZCQ-HIFRSBDPSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599063591 347712928 /nfs/dbraw/zinc/71/29/28/347712928.db2.gz DLGKOBOCGNBZCQ-HIFRSBDPSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884540 348137045 /nfs/dbraw/zinc/13/70/45/348137045.db2.gz MTTXANUIOKZHTA-WBVHZDCISA-N 2 2 269.392 3.324 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000604884540 348137050 /nfs/dbraw/zinc/13/70/50/348137050.db2.gz MTTXANUIOKZHTA-WBVHZDCISA-N 2 2 269.392 3.324 20 0 CGADLP CSCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611182952 348427200 /nfs/dbraw/zinc/42/72/00/348427200.db2.gz FRUMSYUXWBGNHN-INIZCTEOSA-N 2 2 292.492 3.382 20 0 CGADLP CSCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611182952 348427203 /nfs/dbraw/zinc/42/72/03/348427203.db2.gz FRUMSYUXWBGNHN-INIZCTEOSA-N 2 2 292.492 3.382 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000339510670 215221321 /nfs/dbraw/zinc/22/13/21/215221321.db2.gz AOLOGIHCAPCVSH-DOTOQJQBSA-N 2 2 277.371 3.228 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000339510677 215221567 /nfs/dbraw/zinc/22/15/67/215221567.db2.gz AOLOGIHCAPCVSH-WBVHZDCISA-N 2 2 277.371 3.228 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)ccn1 ZINC000624313523 350024945 /nfs/dbraw/zinc/02/49/45/350024945.db2.gz OHVUBKWBPRWLCV-KRWDZBQOSA-N 2 2 299.462 3.216 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255149 350147916 /nfs/dbraw/zinc/14/79/16/350147916.db2.gz MJUARSXZECEDFG-LRDDRELGSA-N 2 2 296.842 3.208 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255149 350147919 /nfs/dbraw/zinc/14/79/19/350147919.db2.gz MJUARSXZECEDFG-LRDDRELGSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255149 350147921 /nfs/dbraw/zinc/14/79/21/350147921.db2.gz MJUARSXZECEDFG-LRDDRELGSA-N 2 2 296.842 3.208 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625255149 350147922 /nfs/dbraw/zinc/14/79/22/350147922.db2.gz MJUARSXZECEDFG-LRDDRELGSA-N 2 2 296.842 3.208 20 0 CGADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000628199896 350436921 /nfs/dbraw/zinc/43/69/21/350436921.db2.gz NPIQUAIASKLZPH-UHFFFAOYSA-N 2 2 279.428 3.036 20 0 CGADLP Cc1nc(C)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000628199896 350436924 /nfs/dbraw/zinc/43/69/24/350436924.db2.gz NPIQUAIASKLZPH-UHFFFAOYSA-N 2 2 279.428 3.036 20 0 CGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000628214111 350443410 /nfs/dbraw/zinc/44/34/10/350443410.db2.gz KSGMJODCSHZBTR-CQSZACIVSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000628214111 350443414 /nfs/dbraw/zinc/44/34/14/350443414.db2.gz KSGMJODCSHZBTR-CQSZACIVSA-N 2 2 298.352 3.074 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628208433 350440047 /nfs/dbraw/zinc/44/00/47/350440047.db2.gz NBSSEELACKZSPR-ZDUSSCGKSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628208433 350440050 /nfs/dbraw/zinc/44/00/50/350440050.db2.gz NBSSEELACKZSPR-ZDUSSCGKSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000628210242 350441120 /nfs/dbraw/zinc/44/11/20/350441120.db2.gz NAPLZTXZSGAKQK-VIFPVBQESA-N 2 2 280.359 3.197 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000352209428 219362206 /nfs/dbraw/zinc/36/22/06/219362206.db2.gz BNIPRSOSXFWSPK-INIZCTEOSA-N 2 2 298.430 3.045 20 0 CGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000352209428 219362209 /nfs/dbraw/zinc/36/22/09/219362209.db2.gz BNIPRSOSXFWSPK-INIZCTEOSA-N 2 2 298.430 3.045 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C3CC(F)(F)C3)cn21 ZINC000628323208 350501809 /nfs/dbraw/zinc/50/18/09/350501809.db2.gz GOVHAGRXQBUVNA-GFCCVEGCSA-N 2 2 293.361 3.209 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC23CC3)c[nH+]1 ZINC000628494650 350561194 /nfs/dbraw/zinc/56/11/94/350561194.db2.gz VIZNUCFXDIVNCK-INIZCTEOSA-N 2 2 258.409 3.493 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000629527461 350703176 /nfs/dbraw/zinc/70/31/76/350703176.db2.gz WGICOMSKNRVPAL-HNKHHVNMSA-N 2 2 258.409 3.273 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000629527550 350703244 /nfs/dbraw/zinc/70/32/44/350703244.db2.gz YJROKHMQZMAQPH-INTQDDNPSA-N 2 2 258.818 3.193 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)C1CCCCC1 ZINC000629535561 350705029 /nfs/dbraw/zinc/70/50/29/350705029.db2.gz GMPRZAXARSZCCL-OAHLLOKOSA-N 2 2 282.815 3.043 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629537504 350706016 /nfs/dbraw/zinc/70/60/16/350706016.db2.gz JPKJHODACFHREB-GMXVVIOVSA-N 2 2 281.469 3.366 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000629540330 350706643 /nfs/dbraw/zinc/70/66/43/350706643.db2.gz WFELJZJFDMZLJT-GLQYFDAESA-N 2 2 250.361 3.007 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(OC)cc1 ZINC000629540968 350707777 /nfs/dbraw/zinc/70/77/77/350707777.db2.gz ZEOPHYKWGPXWME-LXZKKBNFSA-N 2 2 276.424 3.267 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000629543277 350708718 /nfs/dbraw/zinc/70/87/18/350708718.db2.gz XWTUDEAEPUHAAJ-CQDKDKBSSA-N 2 2 250.361 3.007 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000629544530 350709132 /nfs/dbraw/zinc/70/91/32/350709132.db2.gz AGGBBMVLWSBCHE-LEWSCRJBSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000629545087 350709181 /nfs/dbraw/zinc/70/91/81/350709181.db2.gz BBUAYFPDHZKTOF-XZJROXQQSA-N 2 2 278.827 3.448 20 0 CGADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544351 350709375 /nfs/dbraw/zinc/70/93/75/350709375.db2.gz KLPZDBINHYPDNS-NILFDRSVSA-N 2 2 294.826 3.202 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000629546459 350709449 /nfs/dbraw/zinc/70/94/49/350709449.db2.gz XIKZRYHHKKGKEK-LEWSCRJBSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)oc2c1 ZINC000629545788 350709567 /nfs/dbraw/zinc/70/95/67/350709567.db2.gz RDESCRDAHYTXDR-OUCADQQQSA-N 2 2 258.365 3.142 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000629553152 350712176 /nfs/dbraw/zinc/71/21/76/350712176.db2.gz UXACBJMCWFBNSO-QAPCUYQASA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000629553152 350712178 /nfs/dbraw/zinc/71/21/78/350712178.db2.gz UXACBJMCWFBNSO-QAPCUYQASA-N 2 2 287.451 3.081 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1c(OC(C)C)ccc2ccccc21 ZINC000629556973 350712653 /nfs/dbraw/zinc/71/26/53/350712653.db2.gz TZYVADNQLPANJJ-UHFFFAOYSA-N 2 2 286.419 3.408 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1c(OC(C)C)ccc2ccccc21 ZINC000629556973 350712656 /nfs/dbraw/zinc/71/26/56/350712656.db2.gz TZYVADNQLPANJJ-UHFFFAOYSA-N 2 2 286.419 3.408 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C[NH2+]1 ZINC000629396973 350688213 /nfs/dbraw/zinc/68/82/13/350688213.db2.gz RWHHKQBYUKTZNM-AAEUAGOBSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C[NH2+]1 ZINC000629396574 350688287 /nfs/dbraw/zinc/68/82/87/350688287.db2.gz MWXRKXNYGHUURS-ZBFHGGJFSA-N 2 2 288.435 3.238 20 0 CGADLP CCCCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629394815 350688346 /nfs/dbraw/zinc/68/83/46/350688346.db2.gz MNRYBVCMBXEANX-HOCLYGCPSA-N 2 2 276.424 3.096 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000629510139 350699266 /nfs/dbraw/zinc/69/92/66/350699266.db2.gz RHWFVPFTUYYONR-DYVFJYSZSA-N 2 2 275.440 3.215 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000629510139 350699267 /nfs/dbraw/zinc/69/92/67/350699267.db2.gz RHWFVPFTUYYONR-DYVFJYSZSA-N 2 2 275.440 3.215 20 0 CGADLP Cc1cnccc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000629647768 350729468 /nfs/dbraw/zinc/72/94/68/350729468.db2.gz IIATUISSWIPNCY-SFHVURJKSA-N 2 2 283.419 3.303 20 0 CGADLP Cc1[nH+]cc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)n1C ZINC000630050005 350800446 /nfs/dbraw/zinc/80/04/46/350800446.db2.gz AZANPVWCKQCJMV-CYBMUJFWSA-N 2 2 269.392 3.380 20 0 CGADLP Cc1[nH+]cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)n1C ZINC000630050005 350800450 /nfs/dbraw/zinc/80/04/50/350800450.db2.gz AZANPVWCKQCJMV-CYBMUJFWSA-N 2 2 269.392 3.380 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000631044488 350935352 /nfs/dbraw/zinc/93/53/52/350935352.db2.gz JSFHJISLZIEFCY-UHFFFAOYSA-N 2 2 299.418 3.046 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000631114327 350958842 /nfs/dbraw/zinc/95/88/42/350958842.db2.gz BPGZGDTZKAZOPS-SHCNBLLESA-N 2 2 295.430 3.426 20 0 CGADLP Cc1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)on1 ZINC000631115227 350959710 /nfs/dbraw/zinc/95/97/10/350959710.db2.gz PMLOMQKLKJNRHC-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)n2c1 ZINC000631256421 351008950 /nfs/dbraw/zinc/00/89/50/351008950.db2.gz UPMRGAUBFFNWNT-WMZOPIPTSA-N 2 2 299.418 3.080 20 0 CGADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C)ccn1 ZINC000631561632 351066744 /nfs/dbraw/zinc/06/67/44/351066744.db2.gz PKYPFMSMTMYOLF-OAHLLOKOSA-N 2 2 272.396 3.108 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000631260491 351010344 /nfs/dbraw/zinc/01/03/44/351010344.db2.gz ORLULXUSBDPNFJ-SPWCGHHHSA-N 2 2 298.352 3.190 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000631260491 351010347 /nfs/dbraw/zinc/01/03/47/351010347.db2.gz ORLULXUSBDPNFJ-SPWCGHHHSA-N 2 2 298.352 3.190 20 0 CGADLP Fc1cccc(Cl)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884562 351151799 /nfs/dbraw/zinc/15/17/99/351151799.db2.gz LEXJDEPYGGBNTR-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cccc(Cl)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631884562 351151802 /nfs/dbraw/zinc/15/18/02/351151802.db2.gz LEXJDEPYGGBNTR-XHDPSFHLSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1csc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)n1 ZINC000121858356 187001148 /nfs/dbraw/zinc/00/11/48/187001148.db2.gz RLTKQULPVIZUGQ-UHFFFAOYSA-N 2 2 290.436 3.097 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000123550068 187097857 /nfs/dbraw/zinc/09/78/57/187097857.db2.gz VYJGZKULDUPPBI-OCCSQVGLSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000123550068 187097858 /nfs/dbraw/zinc/09/78/58/187097858.db2.gz VYJGZKULDUPPBI-OCCSQVGLSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123550068 187097859 /nfs/dbraw/zinc/09/78/59/187097859.db2.gz VYJGZKULDUPPBI-OCCSQVGLSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000123550068 187097860 /nfs/dbraw/zinc/09/78/60/187097860.db2.gz VYJGZKULDUPPBI-OCCSQVGLSA-N 2 2 266.816 3.255 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000336480952 213351715 /nfs/dbraw/zinc/35/17/15/213351715.db2.gz VFZKANHDTGDLEP-DGCLKSJQSA-N 2 2 279.771 3.213 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1n1cc[nH+]c1 ZINC000336480952 213351716 /nfs/dbraw/zinc/35/17/16/213351716.db2.gz VFZKANHDTGDLEP-DGCLKSJQSA-N 2 2 279.771 3.213 20 0 CGADLP C[C@@H](CCCC[NH3+])[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000423109810 295852069 /nfs/dbraw/zinc/85/20/69/295852069.db2.gz UZRSGINRWGXKMM-KRWDZBQOSA-N 3 2 295.515 3.140 20 0 CGADLP Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000368090872 234280037 /nfs/dbraw/zinc/28/00/37/234280037.db2.gz CFNYLWHRAOURIK-ZDUSSCGKSA-N 2 2 295.390 3.063 20 0 CGADLP Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000368090872 234280039 /nfs/dbraw/zinc/28/00/39/234280039.db2.gz CFNYLWHRAOURIK-ZDUSSCGKSA-N 2 2 295.390 3.063 20 0 CGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000153794797 188104853 /nfs/dbraw/zinc/10/48/53/188104853.db2.gz RSJRUJHYSTVOJD-CQSZACIVSA-N 2 2 290.407 3.052 20 0 CGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000153794797 188104854 /nfs/dbraw/zinc/10/48/54/188104854.db2.gz RSJRUJHYSTVOJD-CQSZACIVSA-N 2 2 290.407 3.052 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000368450092 234310143 /nfs/dbraw/zinc/31/01/43/234310143.db2.gz FZSNCQRDESTDKY-AEFFLSMTSA-N 2 2 281.403 3.321 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000368450092 234310146 /nfs/dbraw/zinc/31/01/46/234310146.db2.gz FZSNCQRDESTDKY-AEFFLSMTSA-N 2 2 281.403 3.321 20 0 CGADLP CCc1[nH+]ccn1CCCCCCn1cc[nH+]c1CC ZINC000155334964 188200284 /nfs/dbraw/zinc/20/02/84/188200284.db2.gz SDKWJYIXWQMFSB-UHFFFAOYSA-N 2 2 274.412 3.465 20 0 CGADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccco1)C(C)C ZINC000155833172 188229637 /nfs/dbraw/zinc/22/96/37/188229637.db2.gz GNRQWTXXXOLBEO-AWEZNQCLSA-N 2 2 252.402 3.439 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH2+]CC3CC3)CC1)CC2 ZINC000430545491 283004153 /nfs/dbraw/zinc/00/41/53/283004153.db2.gz BAUWKJOIAPQQNK-GOSISDBHSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222019878 283020466 /nfs/dbraw/zinc/02/04/66/283020466.db2.gz HJMUHPKPKPOOQH-ULQDDVLXSA-N 2 2 274.383 3.029 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222019878 283020468 /nfs/dbraw/zinc/02/04/68/283020468.db2.gz HJMUHPKPKPOOQH-ULQDDVLXSA-N 2 2 274.383 3.029 20 0 CGADLP COCC[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167875137 188645339 /nfs/dbraw/zinc/64/53/39/188645339.db2.gz RPRMSOSMCCRLDR-HUUCEWRRSA-N 2 2 278.440 3.130 20 0 CGADLP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000271766174 191313202 /nfs/dbraw/zinc/31/32/02/191313202.db2.gz AWHSOSNALHWLAK-AEFFLSMTSA-N 2 2 283.419 3.226 20 0 CGADLP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000271766174 191313205 /nfs/dbraw/zinc/31/32/05/191313205.db2.gz AWHSOSNALHWLAK-AEFFLSMTSA-N 2 2 283.419 3.226 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000328568024 291083435 /nfs/dbraw/zinc/08/34/35/291083435.db2.gz OQSDXKKNHLZQHV-GXTWGEPZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000328568024 291083436 /nfs/dbraw/zinc/08/34/36/291083436.db2.gz OQSDXKKNHLZQHV-GXTWGEPZSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cc(NCC2([NH+](C)C)CCCC2)nc(C(C)C)[nH+]1 ZINC000107815452 138358706 /nfs/dbraw/zinc/35/87/06/138358706.db2.gz GDCICODKQYDAJD-UHFFFAOYSA-N 2 2 276.428 3.195 20 0 CGADLP C[C@H](CNc1cc[nH+]c(C2CC2)n1)[N@H+](C)Cc1ccccc1 ZINC000110594760 138363578 /nfs/dbraw/zinc/36/35/78/138363578.db2.gz YVOBWWPORDUCCL-CQSZACIVSA-N 2 2 296.418 3.286 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423235171 236004743 /nfs/dbraw/zinc/00/47/43/236004743.db2.gz MVJBUCIRINYMFD-PWSUYJOCSA-N 2 2 281.469 3.152 20 0 CGADLP Clc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423241663 236006768 /nfs/dbraw/zinc/00/67/68/236006768.db2.gz VCCPDZNFXCKIKP-HUUCEWRRSA-N 2 2 264.800 3.133 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCCC2)cc1 ZINC000423244452 236007387 /nfs/dbraw/zinc/00/73/87/236007387.db2.gz XNTHEHNJXGANKP-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244040 236007504 /nfs/dbraw/zinc/00/75/04/236007504.db2.gz XCBNSCCLSKYPSG-QWHCGFSZSA-N 2 2 258.365 3.144 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423247964 236007801 /nfs/dbraw/zinc/00/78/01/236007801.db2.gz QYCIMXDOLMEPEN-QGTPRVQTSA-N 2 2 284.403 3.052 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)oc1C ZINC000423262212 236012618 /nfs/dbraw/zinc/01/26/18/236012618.db2.gz MAOPCPSXSQKUPQ-IUODEOHRSA-N 2 2 264.413 3.455 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000423327235 236040521 /nfs/dbraw/zinc/04/05/21/236040521.db2.gz JVKVRGDIKRGCMJ-MRXNPFEDSA-N 2 2 298.430 3.240 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1SC ZINC000423355352 236048294 /nfs/dbraw/zinc/04/82/94/236048294.db2.gz FFWKDXLSPAXOSH-DYEKYZERSA-N 2 2 294.464 3.066 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@@H]3C)oc2c1 ZINC000423358718 236049403 /nfs/dbraw/zinc/04/94/03/236049403.db2.gz JUVJVPWLLURRKE-YDHLFZDLSA-N 2 2 272.392 3.390 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423403680 236065439 /nfs/dbraw/zinc/06/54/39/236065439.db2.gz ZHUDQHUSBDDEDW-BBRMVZONSA-N 2 2 276.424 3.124 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)cc1 ZINC000423567186 236098859 /nfs/dbraw/zinc/09/88/59/236098859.db2.gz UZZVJNQWYCYZGA-GOSISDBHSA-N 2 2 299.393 3.042 20 0 CGADLP Fc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)c2ccccn2)cc1 ZINC000423562446 236099045 /nfs/dbraw/zinc/09/90/45/236099045.db2.gz QJBWOUADULPAQP-GOSISDBHSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000424137458 236123491 /nfs/dbraw/zinc/12/34/91/236123491.db2.gz BXALHXHXZHNCHU-STQMWFEESA-N 2 2 282.378 3.236 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000426492617 236298805 /nfs/dbraw/zinc/29/88/05/236298805.db2.gz SYZHBQMDMZKPFW-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCC[C@H]43)cc2)c[nH+]1 ZINC000426492617 236298807 /nfs/dbraw/zinc/29/88/07/236298807.db2.gz SYZHBQMDMZKPFW-DOTOQJQBSA-N 2 2 267.376 3.247 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338687152 299277220 /nfs/dbraw/zinc/27/72/20/299277220.db2.gz MIUZXMSIJPYOQF-CWRNSKLLSA-N 2 2 260.425 3.108 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3OC3CC3)C2)[nH]1 ZINC000294873137 199224913 /nfs/dbraw/zinc/22/49/13/199224913.db2.gz FGNMJTCQGMBRJO-HNNXBMFYSA-N 2 2 297.402 3.331 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3OC3CC3)C2)[nH]1 ZINC000294873137 199224914 /nfs/dbraw/zinc/22/49/14/199224914.db2.gz FGNMJTCQGMBRJO-HNNXBMFYSA-N 2 2 297.402 3.331 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000480617646 291173330 /nfs/dbraw/zinc/17/33/30/291173330.db2.gz ZBCMZGTUAFEATF-YJBOKZPZSA-N 2 2 272.436 3.241 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000437071829 237242737 /nfs/dbraw/zinc/24/27/37/237242737.db2.gz AUFVCHPSHDISQT-QZTJIDSGSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000437008894 237231669 /nfs/dbraw/zinc/23/16/69/237231669.db2.gz XKDUFBIESVYHLK-AOIWGVFYSA-N 2 2 295.430 3.298 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297405386 200179309 /nfs/dbraw/zinc/17/93/09/200179309.db2.gz CMOBBOGXCCQYLZ-SJORKVTESA-N 2 2 269.392 3.151 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297405386 200179311 /nfs/dbraw/zinc/17/93/11/200179311.db2.gz CMOBBOGXCCQYLZ-SJORKVTESA-N 2 2 269.392 3.151 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297405377 200179424 /nfs/dbraw/zinc/17/94/24/200179424.db2.gz CMOBBOGXCCQYLZ-DLBZAZTESA-N 2 2 269.392 3.151 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297405377 200179425 /nfs/dbraw/zinc/17/94/25/200179425.db2.gz CMOBBOGXCCQYLZ-DLBZAZTESA-N 2 2 269.392 3.151 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000348536527 299296720 /nfs/dbraw/zinc/29/67/20/299296720.db2.gz SGNQNSRGWUIYJO-VKJFTORMSA-N 2 2 288.435 3.015 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824887 200287875 /nfs/dbraw/zinc/28/78/75/200287875.db2.gz ZDZKUWYDUQBMPP-RDJZCZTQSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccc([C@H]2C[C@H](C)[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297824887 200287877 /nfs/dbraw/zinc/28/78/77/200287877.db2.gz ZDZKUWYDUQBMPP-RDJZCZTQSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccccc1C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000297906696 200302741 /nfs/dbraw/zinc/30/27/41/200302741.db2.gz SAUMSSRUOPXZCL-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000177260609 189040396 /nfs/dbraw/zinc/04/03/96/189040396.db2.gz ISWIEADSPDEHPM-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000177260609 189040397 /nfs/dbraw/zinc/04/03/97/189040397.db2.gz ISWIEADSPDEHPM-OAHLLOKOSA-N 2 2 275.783 3.411 20 0 CGADLP CC(C)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177360932 189045814 /nfs/dbraw/zinc/04/58/14/189045814.db2.gz LFYBBJAZQSMEGM-OAHLLOKOSA-N 2 2 284.407 3.135 20 0 CGADLP CC(C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177360932 189045815 /nfs/dbraw/zinc/04/58/15/189045815.db2.gz LFYBBJAZQSMEGM-OAHLLOKOSA-N 2 2 284.407 3.135 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178264057 189101461 /nfs/dbraw/zinc/10/14/61/189101461.db2.gz PKVHNDUUSNXYEI-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178264057 189101462 /nfs/dbraw/zinc/10/14/62/189101462.db2.gz PKVHNDUUSNXYEI-SJLPKXTDSA-N 2 2 290.451 3.056 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342088013 216214750 /nfs/dbraw/zinc/21/47/50/216214750.db2.gz QKXNQJMWRLKFRJ-NWANDNLSSA-N 2 2 293.480 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000342088013 216214752 /nfs/dbraw/zinc/21/47/52/216214752.db2.gz QKXNQJMWRLKFRJ-NWANDNLSSA-N 2 2 293.480 3.045 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342088015 216215774 /nfs/dbraw/zinc/21/57/74/216215774.db2.gz QKXNQJMWRLKFRJ-QEJZJMRPSA-N 2 2 293.480 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000342088015 216215776 /nfs/dbraw/zinc/21/57/76/216215776.db2.gz QKXNQJMWRLKFRJ-QEJZJMRPSA-N 2 2 293.480 3.045 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000179273476 189182952 /nfs/dbraw/zinc/18/29/52/189182952.db2.gz BQIJOXFEATWSDL-SMDDNHRTSA-N 2 2 290.436 3.040 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)sc1C ZINC000179273476 189182953 /nfs/dbraw/zinc/18/29/53/189182953.db2.gz BQIJOXFEATWSDL-SMDDNHRTSA-N 2 2 290.436 3.040 20 0 CGADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000020096484 299316776 /nfs/dbraw/zinc/31/67/76/299316776.db2.gz UBHTYDOOFJMINN-WMLDXEAASA-N 2 2 258.409 3.212 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000179632932 189208848 /nfs/dbraw/zinc/20/88/48/189208848.db2.gz SIXYDZIPCHIHMW-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000179632932 189208849 /nfs/dbraw/zinc/20/88/49/189208849.db2.gz SIXYDZIPCHIHMW-NSHDSACASA-N 2 2 287.234 3.377 20 0 CGADLP Cc1cccn2c(C[NH2+]Cc3cccc4cc[nH]c43)c[nH+]c12 ZINC000342280315 216289225 /nfs/dbraw/zinc/28/92/25/216289225.db2.gz JIOULCUWHYWIJE-UHFFFAOYSA-N 2 2 290.370 3.414 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181060869 189287498 /nfs/dbraw/zinc/28/74/98/189287498.db2.gz CSKZJGAKAGMYND-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181060869 189287499 /nfs/dbraw/zinc/28/74/99/189287499.db2.gz CSKZJGAKAGMYND-OAHLLOKOSA-N 2 2 257.381 3.275 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccncc1 ZINC000182173996 189316319 /nfs/dbraw/zinc/31/63/19/189316319.db2.gz LMLIZJJIEFGWLN-HOTGVXAUSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccncc1 ZINC000182173996 189316320 /nfs/dbraw/zinc/31/63/20/189316320.db2.gz LMLIZJJIEFGWLN-HOTGVXAUSA-N 2 2 283.419 3.253 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000182186471 189316785 /nfs/dbraw/zinc/31/67/85/189316785.db2.gz DUNYCTKHNAJUJX-INIZCTEOSA-N 2 2 273.355 3.080 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]cc1Cl ZINC000301550333 201063142 /nfs/dbraw/zinc/06/31/42/201063142.db2.gz YBXYISNMPQIUIQ-NSHDSACASA-N 2 2 253.777 3.021 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCNc1cc[nH+]cc1Cl ZINC000301550333 201063146 /nfs/dbraw/zinc/06/31/46/201063146.db2.gz YBXYISNMPQIUIQ-NSHDSACASA-N 2 2 253.777 3.021 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183178538 189348870 /nfs/dbraw/zinc/34/88/70/189348870.db2.gz DATXZIJHJFNDAB-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1ccc(C[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183178538 189348871 /nfs/dbraw/zinc/34/88/71/189348871.db2.gz DATXZIJHJFNDAB-GOSISDBHSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000400502983 299343258 /nfs/dbraw/zinc/34/32/58/299343258.db2.gz JAIHSAWDLRKTOA-MJVIPROJSA-N 2 2 286.341 3.497 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000451200197 240247003 /nfs/dbraw/zinc/24/70/03/240247003.db2.gz XNZFMJYPUKADHE-UHFFFAOYSA-N 2 2 292.386 3.304 20 0 CGADLP C[C@]1(F)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111599 240220073 /nfs/dbraw/zinc/22/00/73/240220073.db2.gz GBOSBQFRXKNZOW-HFZJXRFXSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000120687105 370791142 /nfs/dbraw/zinc/79/11/42/370791142.db2.gz VKXPGPCBOVPPMM-QAPCUYQASA-N 2 2 287.451 3.214 20 0 CGADLP Cc1noc(C)c1C[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000275346528 193005054 /nfs/dbraw/zinc/00/50/54/193005054.db2.gz YSYYOBNWAOZNNJ-ZDUSSCGKSA-N 2 2 287.407 3.148 20 0 CGADLP C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000275712683 193111314 /nfs/dbraw/zinc/11/13/14/193111314.db2.gz MJJXTQLYSRYBTE-CQSZACIVSA-N 2 2 287.382 3.463 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000459428846 242104929 /nfs/dbraw/zinc/10/49/29/242104929.db2.gz PRCIIULNYRKPHH-NEPJUHHUSA-N 2 2 284.806 3.360 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000459428846 242104935 /nfs/dbraw/zinc/10/49/35/242104935.db2.gz PRCIIULNYRKPHH-NEPJUHHUSA-N 2 2 284.806 3.360 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000459355670 242088123 /nfs/dbraw/zinc/08/81/23/242088123.db2.gz XNNKNIWLLWYSEA-GOSISDBHSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000459355670 242088128 /nfs/dbraw/zinc/08/81/28/242088128.db2.gz XNNKNIWLLWYSEA-GOSISDBHSA-N 2 2 297.446 3.450 20 0 CGADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)c1cccc(Cl)c1 ZINC000459671310 242170190 /nfs/dbraw/zinc/17/01/90/242170190.db2.gz WKFIQVDHUFNIDI-GFCCVEGCSA-N 2 2 277.799 3.009 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459723998 242191848 /nfs/dbraw/zinc/19/18/48/242191848.db2.gz WACFDPNJRAXJAR-UHFFFAOYSA-N 2 2 270.351 3.478 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459723998 242191851 /nfs/dbraw/zinc/19/18/51/242191851.db2.gz WACFDPNJRAXJAR-UHFFFAOYSA-N 2 2 270.351 3.478 20 0 CGADLP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463242023 242390928 /nfs/dbraw/zinc/39/09/28/242390928.db2.gz FLFAULPNPFEHSJ-STQMWFEESA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000121795624 370895941 /nfs/dbraw/zinc/89/59/41/370895941.db2.gz FSFOXCNFQFLPBR-IBGZPJMESA-N 2 2 295.430 3.226 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000121795624 370895945 /nfs/dbraw/zinc/89/59/45/370895945.db2.gz FSFOXCNFQFLPBR-IBGZPJMESA-N 2 2 295.430 3.226 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C(C)(C)C ZINC000480782486 243165471 /nfs/dbraw/zinc/16/54/71/243165471.db2.gz XTQAHWSOJZZEEN-CQSZACIVSA-N 2 2 284.513 3.372 20 0 CGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCCC1)C1CC1 ZINC000479873000 243127138 /nfs/dbraw/zinc/12/71/38/243127138.db2.gz NJFBVRMFZVCSEZ-SFHVURJKSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCCC1)C1CC1 ZINC000479873000 243127143 /nfs/dbraw/zinc/12/71/43/243127143.db2.gz NJFBVRMFZVCSEZ-SFHVURJKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000480263297 243143176 /nfs/dbraw/zinc/14/31/76/243143176.db2.gz LRASDSVXPRKTIZ-QWHCGFSZSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000480263297 243143180 /nfs/dbraw/zinc/14/31/80/243143180.db2.gz LRASDSVXPRKTIZ-QWHCGFSZSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739890 243204167 /nfs/dbraw/zinc/20/41/67/243204167.db2.gz UDUBWNUPOWHAGE-WQVCFCJDSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739890 243204171 /nfs/dbraw/zinc/20/41/71/243204171.db2.gz UDUBWNUPOWHAGE-WQVCFCJDSA-N 2 2 278.415 3.453 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000482570594 243233998 /nfs/dbraw/zinc/23/39/98/243233998.db2.gz YYBDOECWBOXPIX-KSSFIOAISA-N 2 2 292.442 3.465 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000482570594 243234003 /nfs/dbraw/zinc/23/40/03/243234003.db2.gz YYBDOECWBOXPIX-KSSFIOAISA-N 2 2 292.442 3.465 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC1(C)C ZINC000486965193 243389055 /nfs/dbraw/zinc/38/90/55/243389055.db2.gz JKCTVQCFGOWZOP-WMLDXEAASA-N 2 2 287.451 3.070 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000486979859 243390449 /nfs/dbraw/zinc/39/04/49/243390449.db2.gz KFQFXTBZYRENJH-YOEHRIQHSA-N 2 2 283.419 3.456 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000486981744 243390818 /nfs/dbraw/zinc/39/08/18/243390818.db2.gz SHDYVYJCTRMQRL-UHFFFAOYSA-N 2 2 296.842 3.314 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000020123991 368805353 /nfs/dbraw/zinc/80/53/53/368805353.db2.gz OSSINNXFHRKPCM-GFCCVEGCSA-N 2 2 266.816 3.475 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000019943176 368788082 /nfs/dbraw/zinc/78/80/82/368788082.db2.gz FOEGBSAFCICQNR-GFCCVEGCSA-N 2 2 270.367 3.347 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000019943032 368788260 /nfs/dbraw/zinc/78/82/60/368788260.db2.gz PMTJVYIIBMDHPT-AWEZNQCLSA-N 2 2 294.439 3.086 20 0 CGADLP CCC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000020083655 368797982 /nfs/dbraw/zinc/79/79/82/368797982.db2.gz AXOXIZGNEDWEEG-CQSZACIVSA-N 2 2 254.805 3.332 20 0 CGADLP Oc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000032160669 368927434 /nfs/dbraw/zinc/92/74/34/368927434.db2.gz VTTQLRYDLCWYOX-IBGZPJMESA-N 2 2 296.414 3.319 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000036932227 369040202 /nfs/dbraw/zinc/04/02/02/369040202.db2.gz HQIQICNUOFOPIP-AWEZNQCLSA-N 2 2 285.391 3.303 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000035011192 368989362 /nfs/dbraw/zinc/98/93/62/368989362.db2.gz PGHALUSICHWZEK-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000035043637 368992790 /nfs/dbraw/zinc/99/27/90/368992790.db2.gz FZJRFQADJZRNPG-OAHLLOKOSA-N 2 2 294.439 3.437 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000037157372 369072654 /nfs/dbraw/zinc/07/26/54/369072654.db2.gz IZHCNERLCJLYDM-BBRMVZONSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649261 369097120 /nfs/dbraw/zinc/09/71/20/369097120.db2.gz VEWOAHHAPIUGAS-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649261 369097125 /nfs/dbraw/zinc/09/71/25/369097125.db2.gz VEWOAHHAPIUGAS-NWDGAFQWSA-N 2 2 280.362 3.100 20 0 CGADLP CCCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119639 369173929 /nfs/dbraw/zinc/17/39/29/369173929.db2.gz VIANVFUESXTNIL-MRXNPFEDSA-N 2 2 257.381 3.404 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685049 369265281 /nfs/dbraw/zinc/26/52/81/369265281.db2.gz YVYVBBAVHZKFGK-GDBMZVCRSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685049 369265285 /nfs/dbraw/zinc/26/52/85/369265285.db2.gz YVYVBBAVHZKFGK-GDBMZVCRSA-N 2 2 258.409 3.191 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000044683855 369265410 /nfs/dbraw/zinc/26/54/10/369265410.db2.gz KDKSTQMLJJBUNP-NSHDSACASA-N 2 2 285.218 3.320 20 0 CGADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000044683855 369265414 /nfs/dbraw/zinc/26/54/14/369265414.db2.gz KDKSTQMLJJBUNP-NSHDSACASA-N 2 2 285.218 3.320 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044686095 369267673 /nfs/dbraw/zinc/26/76/73/369267673.db2.gz VWPPAPSIWARDET-CYBMUJFWSA-N 2 2 284.403 3.322 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044686095 369267678 /nfs/dbraw/zinc/26/76/78/369267678.db2.gz VWPPAPSIWARDET-CYBMUJFWSA-N 2 2 284.403 3.322 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000494632967 244307940 /nfs/dbraw/zinc/30/79/40/244307940.db2.gz NDQUXQAMICFODR-DHSIGJKJSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000494632967 244307944 /nfs/dbraw/zinc/30/79/44/244307944.db2.gz NDQUXQAMICFODR-DHSIGJKJSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@@H]3CCCC[N@H+]3C)CCC2)n1 ZINC000494785829 244318482 /nfs/dbraw/zinc/31/84/82/244318482.db2.gz CDLBVHAOUMLDPM-AWEZNQCLSA-N 2 2 293.480 3.295 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@@H]3CCCC[N@@H+]3C)CCC2)n1 ZINC000494785829 244318486 /nfs/dbraw/zinc/31/84/86/244318486.db2.gz CDLBVHAOUMLDPM-AWEZNQCLSA-N 2 2 293.480 3.295 20 0 CGADLP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000045663508 369283774 /nfs/dbraw/zinc/28/37/74/369283774.db2.gz SUZQBBBVJDVYAS-OAHLLOKOSA-N 2 2 252.377 3.208 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000494876690 244326485 /nfs/dbraw/zinc/32/64/85/244326485.db2.gz FHMNSPZZPQDZTC-MXSMSXNCSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495095812 244357220 /nfs/dbraw/zinc/35/72/20/244357220.db2.gz YQACBCQSEGIWKM-ADAWSYLGSA-N 2 2 287.451 3.241 20 0 CGADLP CCc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)o1 ZINC000051721868 369453447 /nfs/dbraw/zinc/45/34/47/369453447.db2.gz VJNVOPQCKATJLS-UHFFFAOYSA-N 2 2 283.375 3.290 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952990 369458259 /nfs/dbraw/zinc/45/82/59/369458259.db2.gz AOYNORCWTGQUHW-WMZOPIPTSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000054109968 369494374 /nfs/dbraw/zinc/49/43/74/369494374.db2.gz VLAMBWBGLJGYTO-CQSZACIVSA-N 2 2 256.393 3.442 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000054109968 369494379 /nfs/dbraw/zinc/49/43/79/369494379.db2.gz VLAMBWBGLJGYTO-CQSZACIVSA-N 2 2 256.393 3.442 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000063191416 369642196 /nfs/dbraw/zinc/64/21/96/369642196.db2.gz VVQRKFKULFTPBP-WFASDCNBSA-N 2 2 258.365 3.135 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000063191416 369642199 /nfs/dbraw/zinc/64/21/99/369642199.db2.gz VVQRKFKULFTPBP-WFASDCNBSA-N 2 2 258.365 3.135 20 0 CGADLP Cc1cc(C)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000063345214 369646305 /nfs/dbraw/zinc/64/63/05/369646305.db2.gz XYYCFFFPIMQCLJ-UHFFFAOYSA-N 2 2 295.430 3.457 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000070149868 369782781 /nfs/dbraw/zinc/78/27/81/369782781.db2.gz WXQVUIBHFLQSDQ-ZDUSSCGKSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000070149868 369782786 /nfs/dbraw/zinc/78/27/86/369782786.db2.gz WXQVUIBHFLQSDQ-ZDUSSCGKSA-N 2 2 281.469 3.144 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000400718498 296151331 /nfs/dbraw/zinc/15/13/31/296151331.db2.gz NVJYLIALBJWBFO-WDMOLILDSA-N 2 2 252.789 3.131 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc1C ZINC000088602032 370036621 /nfs/dbraw/zinc/03/66/21/370036621.db2.gz TZGLREXQYYFTRE-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)sc1C ZINC000088602032 370036625 /nfs/dbraw/zinc/03/66/25/370036625.db2.gz TZGLREXQYYFTRE-OAHLLOKOSA-N 2 2 293.480 3.068 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC1 ZINC000090667893 370063014 /nfs/dbraw/zinc/06/30/14/370063014.db2.gz PPTFGZMERHJBQY-HUUCEWRRSA-N 2 2 287.451 3.385 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000093368549 370120568 /nfs/dbraw/zinc/12/05/68/370120568.db2.gz WNWRCGASQKZRGO-MRXNPFEDSA-N 2 2 287.407 3.331 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc(C)ccc1OC ZINC000093401191 370124508 /nfs/dbraw/zinc/12/45/08/370124508.db2.gz JWOFHDKCEGOFJR-GDBMZVCRSA-N 2 2 276.424 3.139 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(C)ccc1OC ZINC000093401191 370124514 /nfs/dbraw/zinc/12/45/14/370124514.db2.gz JWOFHDKCEGOFJR-GDBMZVCRSA-N 2 2 276.424 3.139 20 0 CGADLP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564150 370142350 /nfs/dbraw/zinc/14/23/50/370142350.db2.gz USTPPXWVPUOJDC-CQSZACIVSA-N 2 2 294.389 3.415 20 0 CGADLP Fc1cccc(F)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564150 370142357 /nfs/dbraw/zinc/14/23/57/370142357.db2.gz USTPPXWVPUOJDC-CQSZACIVSA-N 2 2 294.389 3.415 20 0 CGADLP COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644432 370150793 /nfs/dbraw/zinc/15/07/93/370150793.db2.gz BOGDNQRNEAHPAA-PRLJZHDASA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644432 370150798 /nfs/dbraw/zinc/15/07/98/370150798.db2.gz BOGDNQRNEAHPAA-PRLJZHDASA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644432 370150802 /nfs/dbraw/zinc/15/08/02/370150802.db2.gz BOGDNQRNEAHPAA-PRLJZHDASA-N 2 2 288.435 3.123 20 0 CGADLP COc1ccccc1/C=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644432 370150806 /nfs/dbraw/zinc/15/08/06/370150806.db2.gz BOGDNQRNEAHPAA-PRLJZHDASA-N 2 2 288.435 3.123 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093770107 370157827 /nfs/dbraw/zinc/15/78/27/370157827.db2.gz JFXBJXGDIJDVRX-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093770107 370157833 /nfs/dbraw/zinc/15/78/33/370157833.db2.gz JFXBJXGDIJDVRX-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093770107 370157835 /nfs/dbraw/zinc/15/78/35/370157835.db2.gz JFXBJXGDIJDVRX-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093770107 370157842 /nfs/dbraw/zinc/15/78/42/370157842.db2.gz JFXBJXGDIJDVRX-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1cccc(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000118447728 370616437 /nfs/dbraw/zinc/61/64/37/370616437.db2.gz AXBBSDKIQXVVNC-CYBMUJFWSA-N 2 2 296.842 3.170 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000130618414 371046589 /nfs/dbraw/zinc/04/65/89/371046589.db2.gz XVMSXRPYFDQMJE-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccncc2)C1 ZINC000130618414 371046593 /nfs/dbraw/zinc/04/65/93/371046593.db2.gz XVMSXRPYFDQMJE-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000130618414 371046595 /nfs/dbraw/zinc/04/65/95/371046595.db2.gz XVMSXRPYFDQMJE-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000130618414 371046600 /nfs/dbraw/zinc/04/66/00/371046600.db2.gz XVMSXRPYFDQMJE-FUHWJXTLSA-N 2 2 287.451 3.168 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000130322618 371024724 /nfs/dbraw/zinc/02/47/24/371024724.db2.gz NCHYUKIHLLBFLB-HUUCEWRRSA-N 2 2 257.381 3.239 20 0 CGADLP c1c(CC[NH2+][C@@H]2CCc3ccccc32)[nH+]c2ccccn12 ZINC000130581326 371043957 /nfs/dbraw/zinc/04/39/57/371043957.db2.gz JOKWDLPKYGBTNO-QGZVFWFLSA-N 2 2 277.371 3.154 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000131061064 371079707 /nfs/dbraw/zinc/07/97/07/371079707.db2.gz DCWZTWZREDXSOO-OAHLLOKOSA-N 2 2 299.418 3.298 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000132182123 371156176 /nfs/dbraw/zinc/15/61/76/371156176.db2.gz KSURZYWOJDCXHM-LBPRGKRZSA-N 2 2 252.402 3.080 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132462851 371176638 /nfs/dbraw/zinc/17/66/38/371176638.db2.gz OMKRJLMSBYDOJH-HIFRSBDPSA-N 2 2 287.432 3.419 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000133011460 371218929 /nfs/dbraw/zinc/21/89/29/371218929.db2.gz RNUAKZQFXSMCKO-CYBMUJFWSA-N 2 2 264.372 3.050 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000133011460 371218934 /nfs/dbraw/zinc/21/89/34/371218934.db2.gz RNUAKZQFXSMCKO-CYBMUJFWSA-N 2 2 264.372 3.050 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC[NH3+] ZINC000133227889 371237203 /nfs/dbraw/zinc/23/72/03/371237203.db2.gz RURHYWQFVUXNEV-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC[NH3+] ZINC000133227889 371237205 /nfs/dbraw/zinc/23/72/05/371237205.db2.gz RURHYWQFVUXNEV-SECBINFHSA-N 2 2 261.196 3.335 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000537859862 376204674 /nfs/dbraw/zinc/20/46/74/376204674.db2.gz TWMWYIIBRBCPJK-FMKPAKJESA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000537859862 376204684 /nfs/dbraw/zinc/20/46/84/376204684.db2.gz TWMWYIIBRBCPJK-FMKPAKJESA-N 2 2 250.430 3.266 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCOC4(CCCC4)C3)c[nH+]c12 ZINC000136704010 371482007 /nfs/dbraw/zinc/48/20/07/371482007.db2.gz ACJGMUZCOZIWPD-OAHLLOKOSA-N 2 2 299.418 3.224 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000149916972 371531096 /nfs/dbraw/zinc/53/10/96/371531096.db2.gz XAWDUKWJSYXJJT-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000149916972 371531100 /nfs/dbraw/zinc/53/11/00/371531100.db2.gz XAWDUKWJSYXJJT-HIFRSBDPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000344035494 217019789 /nfs/dbraw/zinc/01/97/89/217019789.db2.gz RNZNIKJBLSSUJT-HHARLNAUSA-N 2 2 294.483 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[N@H+]1CCCC[C@H]1C ZINC000344035494 217019793 /nfs/dbraw/zinc/01/97/93/217019793.db2.gz RNZNIKJBLSSUJT-HHARLNAUSA-N 2 2 294.483 3.043 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151307673 371589672 /nfs/dbraw/zinc/58/96/72/371589672.db2.gz XZRIWWIFOUKVRO-CABCVRRESA-N 2 2 271.408 3.456 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000151359419 371595130 /nfs/dbraw/zinc/59/51/30/371595130.db2.gz HJLFDVMFSSBOQZ-SFHVURJKSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087130 371601719 /nfs/dbraw/zinc/60/17/19/371601719.db2.gz PCFAHZQTLQRSQW-OWCLPIDISA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nccn1-c1ccccc1 ZINC000287087130 371601724 /nfs/dbraw/zinc/60/17/24/371601724.db2.gz PCFAHZQTLQRSQW-OWCLPIDISA-N 2 2 298.434 3.006 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000020090584 541855790 /nfs/dbraw/zinc/85/57/90/541855790.db2.gz PMRFFNSHNZOFGD-NSHDSACASA-N 2 2 269.458 3.142 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCC1 ZINC000421812118 371638325 /nfs/dbraw/zinc/63/83/25/371638325.db2.gz BDSUJKHRZXZQIN-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818225 371640176 /nfs/dbraw/zinc/64/01/76/371640176.db2.gz ZSMKBPICJOPUKR-GFCCVEGCSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421822890 371645091 /nfs/dbraw/zinc/64/50/91/371645091.db2.gz YGQSDLSJUWPIMT-LBPRGKRZSA-N 2 2 281.831 3.260 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000287416927 371652987 /nfs/dbraw/zinc/65/29/87/371652987.db2.gz JWJAHJQZGCLJCD-OLZOCXBDSA-N 2 2 294.439 3.264 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287416927 371652991 /nfs/dbraw/zinc/65/29/91/371652991.db2.gz JWJAHJQZGCLJCD-OLZOCXBDSA-N 2 2 294.439 3.264 20 0 CGADLP Cn1c[nH+]cc1C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000152484471 371698917 /nfs/dbraw/zinc/69/89/17/371698917.db2.gz FZSNCQRDESTDKY-SJLPKXTDSA-N 2 2 281.403 3.321 20 0 CGADLP Cn1c[nH+]cc1C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000152484471 371698925 /nfs/dbraw/zinc/69/89/25/371698925.db2.gz FZSNCQRDESTDKY-SJLPKXTDSA-N 2 2 281.403 3.321 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000422553081 371747835 /nfs/dbraw/zinc/74/78/35/371747835.db2.gz JANVMDBMDOUKGE-GOSISDBHSA-N 2 2 266.388 3.354 20 0 CGADLP CCSc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422564948 371753099 /nfs/dbraw/zinc/75/30/99/371753099.db2.gz XBMOICIABRPQDH-UHFFFAOYSA-N 2 2 276.449 3.127 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccccc1OC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717017 371764903 /nfs/dbraw/zinc/76/49/03/371764903.db2.gz NZFKMNQQACTAMF-CVEARBPZSA-N 2 2 276.424 3.094 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353339547 220035558 /nfs/dbraw/zinc/03/55/58/220035558.db2.gz TYMVQMRRLLOZLA-QWHCGFSZSA-N 2 2 288.391 3.014 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353339547 220035559 /nfs/dbraw/zinc/03/55/59/220035559.db2.gz TYMVQMRRLLOZLA-QWHCGFSZSA-N 2 2 288.391 3.014 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422788540 371808746 /nfs/dbraw/zinc/80/87/46/371808746.db2.gz VNHUHIULZJHJCY-SJORKVTESA-N 2 2 282.387 3.448 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1F ZINC000422789848 371809438 /nfs/dbraw/zinc/80/94/38/371809438.db2.gz WZNGMYRGKOSUPH-YVEFUNNKSA-N 2 2 290.357 3.013 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422812944 371825673 /nfs/dbraw/zinc/82/56/73/371825673.db2.gz YNFPTYJNHQETFS-DYVFJYSZSA-N 2 2 284.403 3.079 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000154520174 371854008 /nfs/dbraw/zinc/85/40/08/371854008.db2.gz SDVMVTWJPIJYQI-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000154520174 371854011 /nfs/dbraw/zinc/85/40/11/371854011.db2.gz SDVMVTWJPIJYQI-GOEBONIOSA-N 2 2 260.425 3.037 20 0 CGADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422887010 371854619 /nfs/dbraw/zinc/85/46/19/371854619.db2.gz ALNMTBPWAWPJJC-MGPQQGTHSA-N 2 2 293.480 3.277 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1OC1CCC1)[C@H]1CCCC[NH2+]1 ZINC000422914626 371865113 /nfs/dbraw/zinc/86/51/13/371865113.db2.gz VFBCCZUFUNGWRE-WMLDXEAASA-N 2 2 288.435 3.238 20 0 CGADLP CC[C@H]([NH2+]C[C@H](OC)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422920740 371870398 /nfs/dbraw/zinc/87/03/98/371870398.db2.gz NOFRLGUUDJMIDA-JYJNAYRXSA-N 2 2 296.842 3.148 20 0 CGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000422935131 371879958 /nfs/dbraw/zinc/87/99/58/371879958.db2.gz KTKUSRVQTOUOIB-RISCZKNCSA-N 2 2 287.432 3.131 20 0 CGADLP COc1cccc([C@@H](C[NH2+][C@@H](C)C(C)C)[NH+]2CCCC2)c1 ZINC000154838366 371883355 /nfs/dbraw/zinc/88/33/55/371883355.db2.gz UNGZVQCZLRTDDZ-MAUKXSAKSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@H]1CCC[NH2+]1 ZINC000422846568 371838595 /nfs/dbraw/zinc/83/85/95/371838595.db2.gz QCYYUCXGHZOXEI-LERXQTSPSA-N 2 2 280.412 3.093 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000290204227 371934397 /nfs/dbraw/zinc/93/43/97/371934397.db2.gz PWJGLPHPOZGESA-KSSFIOAISA-N 2 2 282.387 3.434 20 0 CGADLP CCSc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccn1 ZINC000423059202 371939655 /nfs/dbraw/zinc/93/96/55/371939655.db2.gz FFOOAFXOGCEGQB-HZPDHXFCSA-N 2 2 299.443 3.428 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290090254 371901894 /nfs/dbraw/zinc/90/18/94/371901894.db2.gz REKVDISICKXDPY-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290090254 371901899 /nfs/dbraw/zinc/90/18/99/371901899.db2.gz REKVDISICKXDPY-LBPRGKRZSA-N 2 2 277.799 3.309 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CC=CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422985652 371903557 /nfs/dbraw/zinc/90/35/57/371903557.db2.gz FQUBIJZFNKQHMZ-JQHSSLGASA-N 2 2 286.419 3.187 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2ccsc2C1 ZINC000290128669 371911294 /nfs/dbraw/zinc/91/12/94/371911294.db2.gz UTFYDRNFNKPXIU-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2ccsc2C1 ZINC000290128669 371911298 /nfs/dbraw/zinc/91/12/98/371911298.db2.gz UTFYDRNFNKPXIU-UHFFFAOYSA-N 2 2 272.417 3.442 20 0 CGADLP FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423106002 371971045 /nfs/dbraw/zinc/97/10/45/371971045.db2.gz OCSLEVQZCATUOQ-GJZGRUSLSA-N 2 2 298.352 3.498 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000290374552 371974335 /nfs/dbraw/zinc/97/43/35/371974335.db2.gz ARTZTQPZVISEGS-GOSISDBHSA-N 2 2 296.414 3.224 20 0 CGADLP CC[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000423143131 371988405 /nfs/dbraw/zinc/98/84/05/371988405.db2.gz CIWJPBJACBNBBH-IRXDYDNUSA-N 2 2 276.399 3.323 20 0 CGADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423152716 371994097 /nfs/dbraw/zinc/99/40/97/371994097.db2.gz MAZNOXYRKACWAZ-SIUPPRGNSA-N 2 2 288.435 3.124 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423163193 371997562 /nfs/dbraw/zinc/99/75/62/371997562.db2.gz VESJCFPPDSNXQF-MWQQHZPXSA-N 2 2 288.435 3.409 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000290546807 372015002 /nfs/dbraw/zinc/01/50/02/372015002.db2.gz YXHAXSARSJQOQD-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000290546807 372015006 /nfs/dbraw/zinc/01/50/06/372015006.db2.gz YXHAXSARSJQOQD-GOSISDBHSA-N 3 2 289.467 3.033 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423186908 372015382 /nfs/dbraw/zinc/01/53/82/372015382.db2.gz KNTUNLQJBHFSEP-COXVUDFISA-N 2 2 258.409 3.213 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423189083 372015576 /nfs/dbraw/zinc/01/55/76/372015576.db2.gz MEVJYUOSSGDTNU-CXAGYDPISA-N 2 2 254.377 3.242 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)o1 ZINC000423190284 372016698 /nfs/dbraw/zinc/01/66/98/372016698.db2.gz QWVJCFYDJKSTDZ-CQSZACIVSA-N 2 2 287.407 3.122 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423196701 372020786 /nfs/dbraw/zinc/02/07/86/372020786.db2.gz VYNMROQMHREMKK-KBPBESRZSA-N 2 2 284.403 3.251 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423402657 372060167 /nfs/dbraw/zinc/06/01/67/372060167.db2.gz YUSYOEKUZBQSKQ-DOTOQJQBSA-N 2 2 288.435 3.137 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000423214788 372033627 /nfs/dbraw/zinc/03/36/27/372033627.db2.gz NCMYXJBERSASMG-WCQYABFASA-N 2 2 282.815 3.140 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(C(C)C)cccc21 ZINC000423483595 372068947 /nfs/dbraw/zinc/06/89/47/372068947.db2.gz XZXYPMJFMRJQDI-CJNGLKHVSA-N 2 2 276.424 3.351 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423556805 372073057 /nfs/dbraw/zinc/07/30/57/372073057.db2.gz MRDPDPFPPWMMJW-RISCZKNCSA-N 2 2 297.240 3.242 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309781 372082330 /nfs/dbraw/zinc/08/23/30/372082330.db2.gz INJMPWRTEOTSSX-OBVSXPTNSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424309781 372082336 /nfs/dbraw/zinc/08/23/36/372082336.db2.gz INJMPWRTEOTSSX-OBVSXPTNSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCOC[C@H]3C)cc2)c1C ZINC000291176881 372131969 /nfs/dbraw/zinc/13/19/69/372131969.db2.gz FEXZANJSYFUWPU-PXAZEXFGSA-N 2 2 285.391 3.326 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)[C@@H]3CCOC3)cc2)c1C ZINC000291175740 372132272 /nfs/dbraw/zinc/13/22/72/372132272.db2.gz FDZSTOAHPRNWIX-DZGCQCFKSA-N 2 2 285.391 3.326 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672490 541868644 /nfs/dbraw/zinc/86/86/44/541868644.db2.gz JQAHFTZECPZOMZ-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000040672490 541868648 /nfs/dbraw/zinc/86/86/48/541868648.db2.gz JQAHFTZECPZOMZ-YPMHNXCESA-N 2 2 284.350 3.033 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292871067 372232717 /nfs/dbraw/zinc/23/27/17/372232717.db2.gz SLTMLYXLANRCGI-WMLDXEAASA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292871067 372232723 /nfs/dbraw/zinc/23/27/23/372232723.db2.gz SLTMLYXLANRCGI-WMLDXEAASA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292871067 372232727 /nfs/dbraw/zinc/23/27/27/372232727.db2.gz SLTMLYXLANRCGI-WMLDXEAASA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000292871067 372232732 /nfs/dbraw/zinc/23/27/32/372232732.db2.gz SLTMLYXLANRCGI-WMLDXEAASA-N 2 2 289.467 3.428 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672703 541870416 /nfs/dbraw/zinc/87/04/16/541870416.db2.gz SPNNLCMXFLJGGK-IAGOWNOFSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672703 541870421 /nfs/dbraw/zinc/87/04/21/541870421.db2.gz SPNNLCMXFLJGGK-IAGOWNOFSA-N 2 2 260.425 3.384 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653542 372244132 /nfs/dbraw/zinc/24/41/32/372244132.db2.gz SKHZHWGZOGEFDN-GXTWGEPZSA-N 2 2 280.362 3.209 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653542 372244140 /nfs/dbraw/zinc/24/41/40/372244140.db2.gz SKHZHWGZOGEFDN-GXTWGEPZSA-N 2 2 280.362 3.209 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCCCS3)c[nH+]c12 ZINC000344331162 217153056 /nfs/dbraw/zinc/15/30/56/217153056.db2.gz ARODLJGDXYDMRG-AWEZNQCLSA-N 2 2 275.421 3.018 20 0 CGADLP c1cn(CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000162226812 372381884 /nfs/dbraw/zinc/38/18/84/372381884.db2.gz LXHCPBXOEJIWRZ-CQSZACIVSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn(CC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000162226812 372381891 /nfs/dbraw/zinc/38/18/91/372381891.db2.gz LXHCPBXOEJIWRZ-CQSZACIVSA-N 2 2 298.415 3.330 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000162229696 372382723 /nfs/dbraw/zinc/38/27/23/372382723.db2.gz SGGAFSPCCUDLMO-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(F)ccc1F ZINC000162456022 372396615 /nfs/dbraw/zinc/39/66/15/372396615.db2.gz INCOCISUYALUKP-INIZCTEOSA-N 2 2 282.378 3.491 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431172422 372441450 /nfs/dbraw/zinc/44/14/50/372441450.db2.gz WVMCKMPFHFHGNV-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431172422 372441453 /nfs/dbraw/zinc/44/14/53/372441453.db2.gz WVMCKMPFHFHGNV-IBGZPJMESA-N 2 2 296.414 3.476 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+](C)Cc1ccccc1 ZINC000344374116 217174455 /nfs/dbraw/zinc/17/44/55/217174455.db2.gz UKOLSZSKNMTEOI-DLBZAZTESA-N 2 2 272.436 3.453 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+](C)Cc1ccccc1 ZINC000344374116 217174457 /nfs/dbraw/zinc/17/44/57/217174457.db2.gz UKOLSZSKNMTEOI-DLBZAZTESA-N 2 2 272.436 3.453 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCc3ccccc32)[nH+]c1 ZINC000163800936 372493228 /nfs/dbraw/zinc/49/32/28/372493228.db2.gz AGIMSKNKKBJLHD-MRXNPFEDSA-N 2 2 267.376 3.161 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254456 372567666 /nfs/dbraw/zinc/56/76/66/372567666.db2.gz HNWRDOGECBKQJT-YEWWUXTCSA-N 2 2 288.435 3.361 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000166254456 372567673 /nfs/dbraw/zinc/56/76/73/372567673.db2.gz HNWRDOGECBKQJT-YEWWUXTCSA-N 2 2 288.435 3.361 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000294106292 372583128 /nfs/dbraw/zinc/58/31/28/372583128.db2.gz CLSMKFAHDRLXKQ-HIFRSBDPSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@H+]1Cc1ccccc1 ZINC000294106292 372583136 /nfs/dbraw/zinc/58/31/36/372583136.db2.gz CLSMKFAHDRLXKQ-HIFRSBDPSA-N 2 2 282.378 3.284 20 0 CGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000168575923 372613514 /nfs/dbraw/zinc/61/35/14/372613514.db2.gz UYBJOGDRNFCHFK-CZUORRHYSA-N 2 2 260.425 3.339 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000168750683 372619298 /nfs/dbraw/zinc/61/92/98/372619298.db2.gz ICVKECKWJUMXRW-KRWDZBQOSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000167853926 372604754 /nfs/dbraw/zinc/60/47/54/372604754.db2.gz YSAUQEZFBPPTSV-YQQAZPJKSA-N 2 2 290.451 3.130 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2c1 ZINC000435386274 372756084 /nfs/dbraw/zinc/75/60/84/372756084.db2.gz TYSMMHAURCISFT-LRDDRELGSA-N 2 2 288.391 3.143 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])cc2c1 ZINC000435386274 372756088 /nfs/dbraw/zinc/75/60/88/372756088.db2.gz TYSMMHAURCISFT-LRDDRELGSA-N 2 2 288.391 3.143 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)Cc2nccn2C(F)F)c[nH+]1 ZINC000353451439 220090249 /nfs/dbraw/zinc/09/02/49/220090249.db2.gz XBJBLABGDFGKKV-UHFFFAOYSA-N 2 2 294.349 3.046 20 0 CGADLP Cc1ccc(CCC[N@H+](C)Cc2nccn2C(F)F)c[nH+]1 ZINC000353451439 220090250 /nfs/dbraw/zinc/09/02/50/220090250.db2.gz XBJBLABGDFGKKV-UHFFFAOYSA-N 2 2 294.349 3.046 20 0 CGADLP CCc1ccc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000295678803 372872761 /nfs/dbraw/zinc/87/27/61/372872761.db2.gz LRQQTJFFODUBHY-UHFFFAOYSA-N 2 2 278.359 3.014 20 0 CGADLP CCCc1ccc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000295719394 372889474 /nfs/dbraw/zinc/88/94/74/372889474.db2.gz TYFQBWWXDPYBRR-UHFFFAOYSA-N 2 2 292.386 3.404 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000295971251 372978856 /nfs/dbraw/zinc/97/88/56/372978856.db2.gz NXYZUCQYCQKYHI-FUDCBSFHSA-N 2 2 262.397 3.118 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000295971251 372978864 /nfs/dbraw/zinc/97/88/64/372978864.db2.gz NXYZUCQYCQKYHI-FUDCBSFHSA-N 2 2 262.397 3.118 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@@H+]1C ZINC000172848252 373045614 /nfs/dbraw/zinc/04/56/14/373045614.db2.gz GOTIDURGPQBNLL-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3ccccc3s2)CC[N@H+]1C ZINC000172848252 373045622 /nfs/dbraw/zinc/04/56/22/373045622.db2.gz GOTIDURGPQBNLL-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848252 373045627 /nfs/dbraw/zinc/04/56/27/373045627.db2.gz GOTIDURGPQBNLL-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2nc3ccccc3s2)CC[NH+]1C ZINC000172848252 373045636 /nfs/dbraw/zinc/04/56/36/373045636.db2.gz GOTIDURGPQBNLL-CHWSQXEVSA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779449 373077516 /nfs/dbraw/zinc/07/75/16/373077516.db2.gz IPNCAMICWQXGBX-OLZOCXBDSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779449 373077530 /nfs/dbraw/zinc/07/75/30/373077530.db2.gz IPNCAMICWQXGBX-OLZOCXBDSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218663 373151900 /nfs/dbraw/zinc/15/19/00/373151900.db2.gz YCBIBLOBCGWMGM-HOSILWTGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000443218663 373151906 /nfs/dbraw/zinc/15/19/06/373151906.db2.gz YCBIBLOBCGWMGM-HOSILWTGSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000174075374 373245384 /nfs/dbraw/zinc/24/53/84/373245384.db2.gz BQQOQRJENQUWCR-JKSUJKDBSA-N 2 2 283.419 3.253 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000174075374 373245392 /nfs/dbraw/zinc/24/53/92/373245392.db2.gz BQQOQRJENQUWCR-JKSUJKDBSA-N 2 2 283.419 3.253 20 0 CGADLP CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000174135666 373254941 /nfs/dbraw/zinc/25/49/41/373254941.db2.gz JSAQFTIFAPEPJD-WMZOPIPTSA-N 2 2 299.418 3.166 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000174217991 373270342 /nfs/dbraw/zinc/27/03/42/373270342.db2.gz CPIAEWLYWVMPMM-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000174217991 373270347 /nfs/dbraw/zinc/27/03/47/373270347.db2.gz CPIAEWLYWVMPMM-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447816509 373499080 /nfs/dbraw/zinc/49/90/80/373499080.db2.gz JMSMGEZTAHCVGK-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447816509 373499090 /nfs/dbraw/zinc/49/90/90/373499090.db2.gz JMSMGEZTAHCVGK-GFCCVEGCSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000448024952 373539357 /nfs/dbraw/zinc/53/93/57/373539357.db2.gz BGBZGIXRVYGKFQ-YMAMQOFZSA-N 2 2 282.472 3.043 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000448024952 373539366 /nfs/dbraw/zinc/53/93/66/373539366.db2.gz BGBZGIXRVYGKFQ-YMAMQOFZSA-N 2 2 282.472 3.043 20 0 CGADLP C1CC2(C1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449130134 373663089 /nfs/dbraw/zinc/66/30/89/373663089.db2.gz XPTOQCKGGCLGNU-GOEBONIOSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(C1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449130134 373663100 /nfs/dbraw/zinc/66/31/00/373663100.db2.gz XPTOQCKGGCLGNU-GOEBONIOSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449135076 373663951 /nfs/dbraw/zinc/66/39/51/373663951.db2.gz NFTXYJWRWSLEHH-KBPBESRZSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449135076 373663955 /nfs/dbraw/zinc/66/39/55/373663955.db2.gz NFTXYJWRWSLEHH-KBPBESRZSA-N 2 2 286.419 3.436 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000177229983 373665795 /nfs/dbraw/zinc/66/57/95/373665795.db2.gz GTKOEFMXFFOJLN-ZDUSSCGKSA-N 2 2 276.399 3.178 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[N@@H+]1C ZINC000449174401 373668034 /nfs/dbraw/zinc/66/80/34/373668034.db2.gz PKIQIMACSGJCRI-IRUJWGPZSA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[N@H+]1C ZINC000449174401 373668045 /nfs/dbraw/zinc/66/80/45/373668045.db2.gz PKIQIMACSGJCRI-IRUJWGPZSA-N 2 2 298.352 3.164 20 0 CGADLP Cc1cccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000301622705 373792277 /nfs/dbraw/zinc/79/22/77/373792277.db2.gz FAALOFMSCQNQIG-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178582101 373795294 /nfs/dbraw/zinc/79/52/94/373795294.db2.gz HWEXZKRTYQKIPX-RYRKJORJSA-N 2 2 289.467 3.174 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000178582101 373795300 /nfs/dbraw/zinc/79/53/00/373795300.db2.gz HWEXZKRTYQKIPX-RYRKJORJSA-N 2 2 289.467 3.174 20 0 CGADLP CCO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000449503240 373801108 /nfs/dbraw/zinc/80/11/08/373801108.db2.gz PJMDVQYJTMCJGO-PBHICJAKSA-N 2 2 276.424 3.070 20 0 CGADLP CCO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1C ZINC000449503240 373801115 /nfs/dbraw/zinc/80/11/15/373801115.db2.gz PJMDVQYJTMCJGO-PBHICJAKSA-N 2 2 276.424 3.070 20 0 CGADLP COc1cccc2c(N(C)C[C@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000302497320 373881690 /nfs/dbraw/zinc/88/16/90/373881690.db2.gz BROMQUVDEXQCCR-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP COc1cccc2c(N(C)C[C@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC000302497320 373881699 /nfs/dbraw/zinc/88/16/99/373881699.db2.gz BROMQUVDEXQCCR-AWEZNQCLSA-N 2 2 299.418 3.021 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000302508403 373883416 /nfs/dbraw/zinc/88/34/16/373883416.db2.gz MQLJNSWSIZVZOI-BBRMVZONSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000302508403 373883421 /nfs/dbraw/zinc/88/34/21/373883421.db2.gz MQLJNSWSIZVZOI-BBRMVZONSA-N 2 2 252.446 3.274 20 0 CGADLP COc1cccc2c(NC[C@H](C)C[NH+]3CCCC3)cc[nH+]c12 ZINC000302615730 373907882 /nfs/dbraw/zinc/90/78/82/373907882.db2.gz CKMGMUVZCWGQJO-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000289520780 197387750 /nfs/dbraw/zinc/38/77/50/197387750.db2.gz FWZVEXHMYNVAMN-UHFFFAOYSA-N 2 2 289.810 3.281 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000289520780 197387752 /nfs/dbraw/zinc/38/77/52/197387752.db2.gz FWZVEXHMYNVAMN-UHFFFAOYSA-N 2 2 289.810 3.281 20 0 CGADLP c1c2ccccc2sc1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353679927 220250420 /nfs/dbraw/zinc/25/04/20/220250420.db2.gz IDCNVHFATRYIKB-ZFWWWQNUSA-N 2 2 272.417 3.085 20 0 CGADLP c1c2ccccc2sc1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353679927 220250421 /nfs/dbraw/zinc/25/04/21/220250421.db2.gz IDCNVHFATRYIKB-ZFWWWQNUSA-N 2 2 272.417 3.085 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000353680323 220253556 /nfs/dbraw/zinc/25/35/56/220253556.db2.gz SUFJONCXRWZROY-KKUMJFAQSA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000353680323 220253560 /nfs/dbraw/zinc/25/35/60/220253560.db2.gz SUFJONCXRWZROY-KKUMJFAQSA-N 2 2 291.439 3.287 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000181672761 374153710 /nfs/dbraw/zinc/15/37/10/374153710.db2.gz KREBHLNXMKENDS-HUUCEWRRSA-N 2 2 291.439 3.067 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000309736063 374195615 /nfs/dbraw/zinc/19/56/15/374195615.db2.gz QQJKQBKKYLAMLP-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000309736063 374195620 /nfs/dbraw/zinc/19/56/20/374195620.db2.gz QQJKQBKKYLAMLP-OIISXLGYSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000182000730 374202510 /nfs/dbraw/zinc/20/25/10/374202510.db2.gz NGBULTALWPJEIY-CJNGLKHVSA-N 2 2 282.378 3.346 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000182000730 374202513 /nfs/dbraw/zinc/20/25/13/374202513.db2.gz NGBULTALWPJEIY-CJNGLKHVSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000312023067 374265852 /nfs/dbraw/zinc/26/58/52/374265852.db2.gz VSTKQTPYJZPUHL-BHYGNILZSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1C ZINC000313484425 374302031 /nfs/dbraw/zinc/30/20/31/374302031.db2.gz GNEQBUJVNTWRMU-FZCLSBEQSA-N 2 2 272.436 3.458 20 0 CGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCCC23CCCC3)n1C ZINC000314685947 374321635 /nfs/dbraw/zinc/32/16/35/374321635.db2.gz BYMLPJXWAJIYFP-OAHLLOKOSA-N 2 2 290.455 3.079 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000328098473 374360787 /nfs/dbraw/zinc/36/07/87/374360787.db2.gz KJSRJSSTUJWPBH-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC12CCCC2)C1CC1 ZINC000328098473 374360794 /nfs/dbraw/zinc/36/07/94/374360794.db2.gz KJSRJSSTUJWPBH-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000328568027 374366286 /nfs/dbraw/zinc/36/62/86/374366286.db2.gz OQSDXKKNHLZQHV-TZMCWYRMSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000328568027 374366291 /nfs/dbraw/zinc/36/62/91/374366291.db2.gz OQSDXKKNHLZQHV-TZMCWYRMSA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccsc1 ZINC000453277854 374385336 /nfs/dbraw/zinc/38/53/36/374385336.db2.gz YMONASPFUWFJNW-JKSUJKDBSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccsc1 ZINC000453277854 374385342 /nfs/dbraw/zinc/38/53/42/374385342.db2.gz YMONASPFUWFJNW-JKSUJKDBSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000090407481 541960968 /nfs/dbraw/zinc/96/09/68/541960968.db2.gz VVOGFISABQPNGO-GFCCVEGCSA-N 2 2 290.436 3.389 20 0 CGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335521 541966063 /nfs/dbraw/zinc/96/60/63/541966063.db2.gz IINZFCBLPDPKFS-QZTJIDSGSA-N 2 2 270.420 3.212 20 0 CGADLP c1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000091335521 541966066 /nfs/dbraw/zinc/96/60/66/541966066.db2.gz IINZFCBLPDPKFS-QZTJIDSGSA-N 2 2 270.420 3.212 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000091308071 541967095 /nfs/dbraw/zinc/96/70/95/541967095.db2.gz FEMLULJRBZNVJH-NVXWUHKLSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000091308071 541967096 /nfs/dbraw/zinc/96/70/96/541967096.db2.gz FEMLULJRBZNVJH-NVXWUHKLSA-N 2 2 258.409 3.130 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000334389839 374708511 /nfs/dbraw/zinc/70/85/11/374708511.db2.gz SDBBLSTVTDQWOV-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000334389839 374708513 /nfs/dbraw/zinc/70/85/13/374708513.db2.gz SDBBLSTVTDQWOV-KGLIPLIRSA-N 2 2 269.392 3.235 20 0 CGADLP CCn1c2ccccc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000185742227 374728155 /nfs/dbraw/zinc/72/81/55/374728155.db2.gz VFQZCVFGAVNGAY-UHFFFAOYSA-N 2 2 291.358 3.316 20 0 CGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187048106 374961881 /nfs/dbraw/zinc/96/18/81/374961881.db2.gz RYVFTDKDUBCXQK-HNNXBMFYSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187048106 374961888 /nfs/dbraw/zinc/96/18/88/374961888.db2.gz RYVFTDKDUBCXQK-HNNXBMFYSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+]1CCC(C)CC1 ZINC000187110246 374973997 /nfs/dbraw/zinc/97/39/97/374973997.db2.gz XDERSQAJAZCELG-GJZGRUSLSA-N 2 2 284.513 3.228 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474369736 375101679 /nfs/dbraw/zinc/10/16/79/375101679.db2.gz JXUJJDDGFALIFB-TZMCWYRMSA-N 2 2 280.843 3.475 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474369736 375101685 /nfs/dbraw/zinc/10/16/85/375101685.db2.gz JXUJJDDGFALIFB-TZMCWYRMSA-N 2 2 280.843 3.475 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188020202 375142386 /nfs/dbraw/zinc/14/23/86/375142386.db2.gz CQFPAMWUQRIGEF-YXJHDRRASA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H](c1ccccc1)[NH+](C)C ZINC000487556201 375253383 /nfs/dbraw/zinc/25/33/83/375253383.db2.gz HVHAEORGJQBNHW-OFQRWUPVSA-N 2 2 278.465 3.021 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000488424736 375308603 /nfs/dbraw/zinc/30/86/03/375308603.db2.gz DONAJSBEYOHCFX-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@@H+]1C ZINC000189069435 375317563 /nfs/dbraw/zinc/31/75/63/375317563.db2.gz RCJWEPFSMLZAKU-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2Cl)CC[N@H+]1C ZINC000189069435 375317573 /nfs/dbraw/zinc/31/75/73/375317573.db2.gz RCJWEPFSMLZAKU-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069435 375317579 /nfs/dbraw/zinc/31/75/79/375317579.db2.gz RCJWEPFSMLZAKU-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2Cl)CC[NH+]1C ZINC000189069435 375317581 /nfs/dbraw/zinc/31/75/81/375317581.db2.gz RCJWEPFSMLZAKU-BXUZGUMPSA-N 2 2 284.806 3.394 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCC23CCCC3)[nH+]c1 ZINC000189146780 375331510 /nfs/dbraw/zinc/33/15/10/375331510.db2.gz CXWNYVMQXQOWKD-CQSZACIVSA-N 2 2 259.397 3.196 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)O1 ZINC000190957101 375554402 /nfs/dbraw/zinc/55/44/02/375554402.db2.gz YHDLNNTWCRYJSV-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)O1 ZINC000190957101 375554409 /nfs/dbraw/zinc/55/44/09/375554409.db2.gz YHDLNNTWCRYJSV-WBVHZDCISA-N 2 2 290.451 3.054 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142811 375722105 /nfs/dbraw/zinc/72/21/05/375722105.db2.gz IFSTVSIFHHFPJP-OAHLLOKOSA-N 2 2 273.424 3.199 20 0 CGADLP c1[nH+]c([C@@H]2CCC[N@H+](CC3CCC3)C2)n2c1CCCC2 ZINC000336142811 375722109 /nfs/dbraw/zinc/72/21/09/375722109.db2.gz IFSTVSIFHHFPJP-OAHLLOKOSA-N 2 2 273.424 3.199 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000192158966 375704497 /nfs/dbraw/zinc/70/44/97/375704497.db2.gz LTOYZEMEFWANCP-HNNXBMFYSA-N 2 2 299.418 3.085 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508829920 375761691 /nfs/dbraw/zinc/76/16/91/375761691.db2.gz TVSXDUBBDDBBMM-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(O)c2Cl)C1 ZINC000508829920 375761698 /nfs/dbraw/zinc/76/16/98/375761698.db2.gz TVSXDUBBDDBBMM-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000508829920 375761702 /nfs/dbraw/zinc/76/17/02/375761702.db2.gz TVSXDUBBDDBBMM-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000508829920 375761703 /nfs/dbraw/zinc/76/17/03/375761703.db2.gz TVSXDUBBDDBBMM-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000192946000 375807231 /nfs/dbraw/zinc/80/72/31/375807231.db2.gz GNHIAOCSJZFRNE-CYBMUJFWSA-N 2 2 295.386 3.401 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336540631 375818697 /nfs/dbraw/zinc/81/86/97/375818697.db2.gz DGGSSSLKHNOSIC-INIZCTEOSA-N 2 2 289.398 3.223 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336540631 375818703 /nfs/dbraw/zinc/81/87/03/375818703.db2.gz DGGSSSLKHNOSIC-INIZCTEOSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802566 375950040 /nfs/dbraw/zinc/95/00/40/375950040.db2.gz VCGIHSWMLADYMY-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802566 375950045 /nfs/dbraw/zinc/95/00/45/375950045.db2.gz VCGIHSWMLADYMY-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802566 375950048 /nfs/dbraw/zinc/95/00/48/375950048.db2.gz VCGIHSWMLADYMY-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sc(C)nc2C)C[C@@H]1C ZINC000336802566 375950051 /nfs/dbraw/zinc/95/00/51/375950051.db2.gz VCGIHSWMLADYMY-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CCO[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000194463475 376005978 /nfs/dbraw/zinc/00/59/78/376005978.db2.gz HSVUVRRRKFSRKZ-QGZVFWFLSA-N 2 2 295.386 3.202 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194482108 376008424 /nfs/dbraw/zinc/00/84/24/376008424.db2.gz XNKJFVUZGYZVEN-WMLDXEAASA-N 2 2 283.375 3.216 20 0 CGADLP c1ccc(NC2CC[NH+]([C@@H]3C=CCCC3)CC2)[nH+]c1 ZINC000536369651 376087873 /nfs/dbraw/zinc/08/78/73/376087873.db2.gz RRTKNDCWUFTVBO-OAHLLOKOSA-N 2 2 257.381 3.067 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337194290 376127502 /nfs/dbraw/zinc/12/75/02/376127502.db2.gz AGRBMWGKSXWPRB-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337194290 376127507 /nfs/dbraw/zinc/12/75/07/376127507.db2.gz AGRBMWGKSXWPRB-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860509 376137992 /nfs/dbraw/zinc/13/79/92/376137992.db2.gz ZPRAGEFTAVLENT-XJKSGUPXSA-N 2 2 296.842 3.039 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000536860509 376137997 /nfs/dbraw/zinc/13/79/97/376137997.db2.gz ZPRAGEFTAVLENT-XJKSGUPXSA-N 2 2 296.842 3.039 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641576 376177310 /nfs/dbraw/zinc/17/73/10/376177310.db2.gz PBVRXFYFYGLJAM-CABCVRRESA-N 2 2 264.800 3.056 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641576 376177318 /nfs/dbraw/zinc/17/73/18/376177318.db2.gz PBVRXFYFYGLJAM-CABCVRRESA-N 2 2 264.800 3.056 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[NH+]1CCCC1 ZINC000337386671 376216994 /nfs/dbraw/zinc/21/69/94/376216994.db2.gz LOTYBXXLZXYWKY-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP FC1(F)CCC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000334276031 206296889 /nfs/dbraw/zinc/29/68/89/206296889.db2.gz CJPMPTKMPKNXIR-LBPRGKRZSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000338236160 376293426 /nfs/dbraw/zinc/29/34/26/376293426.db2.gz HTHFJNHDSYKHAR-HUUCEWRRSA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000338236160 376293432 /nfs/dbraw/zinc/29/34/32/376293432.db2.gz HTHFJNHDSYKHAR-HUUCEWRRSA-N 2 2 286.410 3.372 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC000539217401 376298794 /nfs/dbraw/zinc/29/87/94/376298794.db2.gz JZXKUHMJQZZBGL-YJBOKZPZSA-N 2 2 290.451 3.324 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C(C)C)cc1 ZINC000539217401 376298799 /nfs/dbraw/zinc/29/87/99/376298799.db2.gz JZXKUHMJQZZBGL-YJBOKZPZSA-N 2 2 290.451 3.324 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753363 376394349 /nfs/dbraw/zinc/39/43/49/376394349.db2.gz NZXMIFICABRSNX-WMLDXEAASA-N 2 2 270.420 3.039 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000540753363 376394352 /nfs/dbraw/zinc/39/43/52/376394352.db2.gz NZXMIFICABRSNX-WMLDXEAASA-N 2 2 270.420 3.039 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000542138228 376509644 /nfs/dbraw/zinc/50/96/44/376509644.db2.gz YZUFQRATELUAOA-CABCVRRESA-N 2 2 292.492 3.271 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000542138228 376509653 /nfs/dbraw/zinc/50/96/53/376509653.db2.gz YZUFQRATELUAOA-CABCVRRESA-N 2 2 292.492 3.271 20 0 CGADLP CC(C)c1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000338781978 376532982 /nfs/dbraw/zinc/53/29/82/376532982.db2.gz BTNYJBYDUIGDSC-KBPBESRZSA-N 2 2 290.455 3.252 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000542468317 376545067 /nfs/dbraw/zinc/54/50/67/376545067.db2.gz UFMIWVDEMQULDO-GOSISDBHSA-N 2 2 298.430 3.385 20 0 CGADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000542468317 376545077 /nfs/dbraw/zinc/54/50/77/376545077.db2.gz UFMIWVDEMQULDO-GOSISDBHSA-N 2 2 298.430 3.385 20 0 CGADLP CC(C)[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000232705924 376584998 /nfs/dbraw/zinc/58/49/98/376584998.db2.gz NAVCMEQTOCOYNT-QGZVFWFLSA-N 2 2 271.408 3.303 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000235384747 376640027 /nfs/dbraw/zinc/64/00/27/376640027.db2.gz UBCZTEMPTNBBLV-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000235439032 376641153 /nfs/dbraw/zinc/64/11/53/376641153.db2.gz KVQDONODYHRVJP-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000235439032 376641156 /nfs/dbraw/zinc/64/11/56/376641156.db2.gz KVQDONODYHRVJP-ZDUSSCGKSA-N 2 2 273.207 3.164 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000339170066 376723402 /nfs/dbraw/zinc/72/34/02/376723402.db2.gz NOITYNMISJCELJ-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP COc1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000339170066 376723409 /nfs/dbraw/zinc/72/34/09/376723409.db2.gz NOITYNMISJCELJ-CQSZACIVSA-N 2 2 294.414 3.188 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000339155941 376716088 /nfs/dbraw/zinc/71/60/88/376716088.db2.gz RKAGINABGDPPDK-UHFFFAOYSA-N 2 2 289.467 3.431 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000339155941 376716099 /nfs/dbraw/zinc/71/60/99/376716099.db2.gz RKAGINABGDPPDK-UHFFFAOYSA-N 2 2 289.467 3.431 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)o1 ZINC000544579615 376747334 /nfs/dbraw/zinc/74/73/34/376747334.db2.gz VRJDCBJPEYFVCZ-MRXNPFEDSA-N 2 2 273.380 3.306 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000545161148 376791571 /nfs/dbraw/zinc/79/15/71/376791571.db2.gz LYFRWSWBRZNFSL-SJORKVTESA-N 2 2 262.441 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000545161148 376791582 /nfs/dbraw/zinc/79/15/82/376791582.db2.gz LYFRWSWBRZNFSL-SJORKVTESA-N 2 2 262.441 3.197 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2nc(C)cs2)CC1 ZINC000150944391 542098877 /nfs/dbraw/zinc/09/88/77/542098877.db2.gz RXTBBJTZAHBZBO-AWEZNQCLSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000151073593 542100668 /nfs/dbraw/zinc/10/06/68/542100668.db2.gz ICDUAWVPSHJDLF-GDBMZVCRSA-N 2 2 258.409 3.018 20 0 CGADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000151073593 542100670 /nfs/dbraw/zinc/10/06/70/542100670.db2.gz ICDUAWVPSHJDLF-GDBMZVCRSA-N 2 2 258.409 3.018 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](CC4CC4)C3)cc2)c[nH+]1 ZINC000339685389 376810439 /nfs/dbraw/zinc/81/04/39/376810439.db2.gz ZQDDJCIFBUACJI-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](CC4CC4)C3)cc2)c[nH+]1 ZINC000339685389 376810447 /nfs/dbraw/zinc/81/04/47/376810447.db2.gz ZQDDJCIFBUACJI-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556877498 376899029 /nfs/dbraw/zinc/89/90/29/376899029.db2.gz JPKBTFDHEMWRKP-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000556877498 376899035 /nfs/dbraw/zinc/89/90/35/376899035.db2.gz JPKBTFDHEMWRKP-IAGOWNOFSA-N 2 2 258.409 3.212 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556608952 376865666 /nfs/dbraw/zinc/86/56/66/376865666.db2.gz MSGWZDJSEAWRDU-CQSZACIVSA-N 2 2 261.413 3.444 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000556860199 376891880 /nfs/dbraw/zinc/89/18/80/376891880.db2.gz XDXPGZPVEOXJHM-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000556872624 376895801 /nfs/dbraw/zinc/89/58/01/376895801.db2.gz QPJYEBPGLNSOBE-MSOLQXFVSA-N 2 2 286.463 3.110 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000245939800 376938862 /nfs/dbraw/zinc/93/88/62/376938862.db2.gz UCXGWFIVEBODJF-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC000245939800 376938867 /nfs/dbraw/zinc/93/88/67/376938867.db2.gz UCXGWFIVEBODJF-RHSMWYFYSA-N 2 2 287.382 3.495 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000340244397 376961821 /nfs/dbraw/zinc/96/18/21/376961821.db2.gz HQRJNZAYKMPARO-LSDHHAIUSA-N 2 2 282.472 3.185 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000340244397 376961829 /nfs/dbraw/zinc/96/18/29/376961829.db2.gz HQRJNZAYKMPARO-LSDHHAIUSA-N 2 2 282.472 3.185 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C2CC2)c1 ZINC000340385744 377027389 /nfs/dbraw/zinc/02/73/89/377027389.db2.gz ANKHYTFNALJRNK-LRDDRELGSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340385744 377027396 /nfs/dbraw/zinc/02/73/96/377027396.db2.gz ANKHYTFNALJRNK-LRDDRELGSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C2CC2)c1 ZINC000340385745 377028634 /nfs/dbraw/zinc/02/86/34/377028634.db2.gz ANKHYTFNALJRNK-MLGOLLRUSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340385745 377028643 /nfs/dbraw/zinc/02/86/43/377028643.db2.gz ANKHYTFNALJRNK-MLGOLLRUSA-N 2 2 281.403 3.495 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479521 377039275 /nfs/dbraw/zinc/03/92/75/377039275.db2.gz OUKXBYZYVIQATM-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479521 377039279 /nfs/dbraw/zinc/03/92/79/377039279.db2.gz OUKXBYZYVIQATM-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479521 377039286 /nfs/dbraw/zinc/03/92/86/377039286.db2.gz OUKXBYZYVIQATM-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)CC[C@H]21 ZINC000246479521 377039293 /nfs/dbraw/zinc/03/92/93/377039293.db2.gz OUKXBYZYVIQATM-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000558252868 376987713 /nfs/dbraw/zinc/98/77/13/376987713.db2.gz AGTXVQODZJFOBL-AVGNSLFASA-N 2 2 268.832 3.372 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000558241042 376988102 /nfs/dbraw/zinc/98/81/02/376988102.db2.gz MCHDECXATIJIQK-QYZOEREBSA-N 2 2 284.447 3.429 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000558241042 376988114 /nfs/dbraw/zinc/98/81/14/376988114.db2.gz MCHDECXATIJIQK-QYZOEREBSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340303110 376993374 /nfs/dbraw/zinc/99/33/74/376993374.db2.gz VZKJETVWQPGREO-IGCXYCKISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C2CC2)c1 ZINC000340303110 376993387 /nfs/dbraw/zinc/99/33/87/376993387.db2.gz VZKJETVWQPGREO-IGCXYCKISA-N 2 2 258.409 3.165 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975852 377057805 /nfs/dbraw/zinc/05/78/05/377057805.db2.gz DZCUERKTSFUGBK-CSJNCLCHSA-N 2 2 284.447 3.251 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000558975852 377057811 /nfs/dbraw/zinc/05/78/11/377057811.db2.gz DZCUERKTSFUGBK-CSJNCLCHSA-N 2 2 284.447 3.251 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246953320 377126966 /nfs/dbraw/zinc/12/69/66/377126966.db2.gz ILIOHYFAVMXCGS-YWPYICTPSA-N 2 2 296.842 3.167 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246953320 377126969 /nfs/dbraw/zinc/12/69/69/377126969.db2.gz ILIOHYFAVMXCGS-YWPYICTPSA-N 2 2 296.842 3.167 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000247012014 377138739 /nfs/dbraw/zinc/13/87/39/377138739.db2.gz MHHOFLMZLRKGTM-LSDHHAIUSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000247012014 377138746 /nfs/dbraw/zinc/13/87/46/377138746.db2.gz MHHOFLMZLRKGTM-LSDHHAIUSA-N 2 2 290.451 3.261 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CC(C)C ZINC000247020850 377141758 /nfs/dbraw/zinc/14/17/58/377141758.db2.gz LSSWJVDOTSGKOR-XWTMOSNGSA-N 3 2 297.531 3.061 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000247020850 377141766 /nfs/dbraw/zinc/14/17/66/377141766.db2.gz LSSWJVDOTSGKOR-XWTMOSNGSA-N 3 2 297.531 3.061 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000340593554 377162239 /nfs/dbraw/zinc/16/22/39/377162239.db2.gz BXUHRJIXBPENHL-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149925 377406804 /nfs/dbraw/zinc/40/68/04/377406804.db2.gz NTAYCMHDSLUMGT-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149925 377406810 /nfs/dbraw/zinc/40/68/10/377406810.db2.gz NTAYCMHDSLUMGT-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000563430139 377464152 /nfs/dbraw/zinc/46/41/52/377464152.db2.gz ADDDKVKZTFCMRX-SWLSCSKDSA-N 2 2 293.480 3.278 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)n1C ZINC000563439275 377465559 /nfs/dbraw/zinc/46/55/59/377465559.db2.gz GLXVARJGWMBQAO-GOSISDBHSA-N 2 2 283.419 3.230 20 0 CGADLP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000341270376 377480463 /nfs/dbraw/zinc/48/04/63/377480463.db2.gz LQMXVVAVSVISQA-CRAIPNDOSA-N 2 2 299.418 3.085 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000164334605 542171815 /nfs/dbraw/zinc/17/18/15/542171815.db2.gz NRQOJXJIHBUYLW-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000164334714 542171274 /nfs/dbraw/zinc/17/12/74/542171274.db2.gz NRQOJXJIHBUYLW-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000164334714 542171277 /nfs/dbraw/zinc/17/12/77/542171277.db2.gz NRQOJXJIHBUYLW-CJNGLKHVSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000164334605 542171818 /nfs/dbraw/zinc/17/18/18/542171818.db2.gz NRQOJXJIHBUYLW-BBRMVZONSA-N 2 2 296.817 3.443 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc2ccccc21 ZINC000313257711 249089907 /nfs/dbraw/zinc/08/99/07/249089907.db2.gz VNQSZIFCTNQDPZ-CQSZACIVSA-N 2 2 279.387 3.467 20 0 CGADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000469875831 249161129 /nfs/dbraw/zinc/16/11/29/249161129.db2.gz ZHDXLOGLCPNBKG-HZPDHXFCSA-N 2 2 260.425 3.382 20 0 CGADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000469875831 249161130 /nfs/dbraw/zinc/16/11/30/249161130.db2.gz ZHDXLOGLCPNBKG-HZPDHXFCSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039899 249131227 /nfs/dbraw/zinc/13/12/27/249131227.db2.gz GYAOCAWJYOSHDX-KBMXLJTQSA-N 2 2 297.402 3.086 20 0 CGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039899 249131230 /nfs/dbraw/zinc/13/12/30/249131230.db2.gz GYAOCAWJYOSHDX-KBMXLJTQSA-N 2 2 297.402 3.086 20 0 CGADLP C[NH2+]CCSCCCCCn1c(C)[nH+]c2ccccc21 ZINC000514790238 249188775 /nfs/dbraw/zinc/18/87/75/249188775.db2.gz ZSYDXYVCDBDWKP-UHFFFAOYSA-N 2 2 291.464 3.468 20 0 CGADLP Clc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265495066 190186336 /nfs/dbraw/zinc/18/63/36/190186336.db2.gz OALKTLSWSBQLFO-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(F)c1 ZINC000517123431 249257877 /nfs/dbraw/zinc/25/78/77/249257877.db2.gz JXZFTIJHMNMTIK-ZDUSSCGKSA-N 2 2 282.378 3.093 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(F)c1 ZINC000517123431 249257879 /nfs/dbraw/zinc/25/78/79/249257879.db2.gz JXZFTIJHMNMTIK-ZDUSSCGKSA-N 2 2 282.378 3.093 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000178307456 542196481 /nfs/dbraw/zinc/19/64/81/542196481.db2.gz ACJSTEPPZGAOQU-HNNXBMFYSA-N 2 2 260.425 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000517534341 249266823 /nfs/dbraw/zinc/26/68/23/249266823.db2.gz NJSIWOSBEKIOSE-ZJUUUORDSA-N 2 2 295.839 3.289 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000251576030 377589021 /nfs/dbraw/zinc/58/90/21/377589021.db2.gz VKPATTVNUUBDGG-CXAGYDPISA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000251576030 377589031 /nfs/dbraw/zinc/58/90/31/377589031.db2.gz VKPATTVNUUBDGG-CXAGYDPISA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000251703495 377594457 /nfs/dbraw/zinc/59/44/57/377594457.db2.gz OHIQYUGQUHVWBF-NEPJUHHUSA-N 2 2 284.806 3.472 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000251703495 377594463 /nfs/dbraw/zinc/59/44/63/377594463.db2.gz OHIQYUGQUHVWBF-NEPJUHHUSA-N 2 2 284.806 3.472 20 0 CGADLP CC(C)C[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574168955 377630964 /nfs/dbraw/zinc/63/09/64/377630964.db2.gz ROVWLYMWVMSFCO-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574168955 377630968 /nfs/dbraw/zinc/63/09/68/377630968.db2.gz ROVWLYMWVMSFCO-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP COc1ccc([C@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414672647 295235179 /nfs/dbraw/zinc/23/51/79/295235179.db2.gz BBUWIQNJRQITKJ-ZFWWWQNUSA-N 2 2 264.413 3.061 20 0 CGADLP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000414672647 295235181 /nfs/dbraw/zinc/23/51/81/295235181.db2.gz BBUWIQNJRQITKJ-ZFWWWQNUSA-N 2 2 264.413 3.061 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000574904582 377723242 /nfs/dbraw/zinc/72/32/42/377723242.db2.gz IEEUJMLTDDYPHV-OAHLLOKOSA-N 2 2 260.406 3.155 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000342706597 377747492 /nfs/dbraw/zinc/74/74/92/377747492.db2.gz IVWICYSNNQJNSH-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000342706597 377747500 /nfs/dbraw/zinc/74/75/00/377747500.db2.gz IVWICYSNNQJNSH-DLBZAZTESA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000342745929 377771121 /nfs/dbraw/zinc/77/11/21/377771121.db2.gz YXJXFEPPKHZXRR-ZJPYXAASSA-N 2 2 294.483 3.046 20 0 CGADLP c1ccc(COc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000261553498 377815281 /nfs/dbraw/zinc/81/52/81/377815281.db2.gz SOTHGAKJTSGROA-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)cc1 ZINC000261545752 377815815 /nfs/dbraw/zinc/81/58/15/377815815.db2.gz KIGIMUXOGMAGPR-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000261570261 377819229 /nfs/dbraw/zinc/81/92/29/377819229.db2.gz KFYIIRSOGKJBCY-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000261570261 377819233 /nfs/dbraw/zinc/81/92/33/377819233.db2.gz KFYIIRSOGKJBCY-JQWIXIFHSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584068 377822545 /nfs/dbraw/zinc/82/25/45/377822545.db2.gz SBBWBAPRFMKTJP-ZLDLUXBVSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261584068 377822555 /nfs/dbraw/zinc/82/25/55/377822555.db2.gz SBBWBAPRFMKTJP-ZLDLUXBVSA-N 2 2 264.800 3.085 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC000342782321 377789597 /nfs/dbraw/zinc/78/95/97/377789597.db2.gz HLUJAFRGEWNCDV-RYUDHWBXSA-N 2 2 267.804 3.328 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)co2)cc1 ZINC000261934751 377869562 /nfs/dbraw/zinc/86/95/62/377869562.db2.gz KDXZSKNXZFERTK-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)co2)cc1 ZINC000261934751 377869565 /nfs/dbraw/zinc/86/95/65/377869565.db2.gz KDXZSKNXZFERTK-GOEBONIOSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)co2)cc1 ZINC000261934745 377869638 /nfs/dbraw/zinc/86/96/38/377869638.db2.gz KDXZSKNXZFERTK-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)co2)cc1 ZINC000261934745 377869642 /nfs/dbraw/zinc/86/96/42/377869642.db2.gz KDXZSKNXZFERTK-GDBMZVCRSA-N 2 2 299.418 3.209 20 0 CGADLP C[N@H+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262027927 377880625 /nfs/dbraw/zinc/88/06/25/377880625.db2.gz YKUQSVAEAYKUPO-XYPWUTKMSA-N 2 2 297.402 3.056 20 0 CGADLP C[N@@H+](Cc1cc(-c2ccccc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262027927 377880632 /nfs/dbraw/zinc/88/06/32/377880632.db2.gz YKUQSVAEAYKUPO-XYPWUTKMSA-N 2 2 297.402 3.056 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000261794189 377855885 /nfs/dbraw/zinc/85/58/85/377855885.db2.gz VHGHHEHJCWANRQ-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000261794189 377855886 /nfs/dbraw/zinc/85/58/86/377855886.db2.gz VHGHHEHJCWANRQ-AWEZNQCLSA-N 2 2 293.461 3.042 20 0 CGADLP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000343528822 378007759 /nfs/dbraw/zinc/00/77/59/378007759.db2.gz BUQQTQPHDAAKKG-WBVHZDCISA-N 2 2 287.451 3.072 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000343456025 377985914 /nfs/dbraw/zinc/98/59/14/377985914.db2.gz CUDJWPOQZQZKSR-WOSRLPQWSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000343456025 377985919 /nfs/dbraw/zinc/98/59/19/377985919.db2.gz CUDJWPOQZQZKSR-WOSRLPQWSA-N 2 2 278.465 3.399 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000343461225 377986549 /nfs/dbraw/zinc/98/65/49/377986549.db2.gz WFJJHUPNKFDMAP-DLBZAZTESA-N 2 2 289.467 3.346 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000343461225 377986559 /nfs/dbraw/zinc/98/65/59/377986559.db2.gz WFJJHUPNKFDMAP-DLBZAZTESA-N 2 2 289.467 3.346 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603105 378084604 /nfs/dbraw/zinc/08/46/04/378084604.db2.gz JLHARPKGMVDUDV-GXFFZTMASA-N 2 2 298.352 3.023 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000578603105 378084613 /nfs/dbraw/zinc/08/46/13/378084613.db2.gz JLHARPKGMVDUDV-GXFFZTMASA-N 2 2 298.352 3.023 20 0 CGADLP Cc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)s1 ZINC000343655894 378056637 /nfs/dbraw/zinc/05/66/37/378056637.db2.gz ITHDIHUFIXAJND-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866333 378116982 /nfs/dbraw/zinc/11/69/82/378116982.db2.gz MUGFJFDNVBMEGP-KPZWWZAWSA-N 2 2 285.435 3.215 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000343866333 378116989 /nfs/dbraw/zinc/11/69/89/378116989.db2.gz MUGFJFDNVBMEGP-KPZWWZAWSA-N 2 2 285.435 3.215 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268819541 378121296 /nfs/dbraw/zinc/12/12/96/378121296.db2.gz NOCDUINCVOJWIY-KGLIPLIRSA-N 2 2 280.375 3.171 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccn(C4CCCC4)n3)CC2)c[nH+]1 ZINC000268673979 378089619 /nfs/dbraw/zinc/08/96/19/378089619.db2.gz KWSOYOFEJBRGPT-UHFFFAOYSA-N 2 2 299.422 3.032 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000579377582 378156142 /nfs/dbraw/zinc/15/61/42/378156142.db2.gz SRSKTONJGHZSKL-CTYIDZIISA-N 2 2 289.810 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCC(C)CC1 ZINC000580097432 378224747 /nfs/dbraw/zinc/22/47/47/378224747.db2.gz MULUTMMOAIMXKS-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCC(C)CC1 ZINC000580097435 378225564 /nfs/dbraw/zinc/22/55/64/378225564.db2.gz MULUTMMOAIMXKS-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269629851 378246467 /nfs/dbraw/zinc/24/64/67/378246467.db2.gz LDXCTUSKEMLJFO-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269629851 378246470 /nfs/dbraw/zinc/24/64/70/378246470.db2.gz LDXCTUSKEMLJFO-OAHLLOKOSA-N 2 2 285.391 3.188 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000582295348 378300472 /nfs/dbraw/zinc/30/04/72/378300472.db2.gz BUCVGWLDAPCQGW-XHDPSFHLSA-N 2 2 264.800 3.059 20 0 CGADLP Clc1ccc2[nH+]c(CSCC3CC[NH2+]CC3)cn2c1 ZINC000583691756 378340347 /nfs/dbraw/zinc/34/03/47/378340347.db2.gz KTTICDASXKZRCB-UHFFFAOYSA-N 2 2 295.839 3.221 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000270640350 378379660 /nfs/dbraw/zinc/37/96/60/378379660.db2.gz JAWWSRAECOIXHN-SFHVURJKSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000270640350 378379663 /nfs/dbraw/zinc/37/96/63/378379663.db2.gz JAWWSRAECOIXHN-SFHVURJKSA-N 2 2 283.419 3.207 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)n1C ZINC000584422419 378383175 /nfs/dbraw/zinc/38/31/75/378383175.db2.gz WLRMIPHRZJYSBD-JTQLQIEISA-N 2 2 295.333 3.181 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346093074 378461624 /nfs/dbraw/zinc/46/16/24/378461624.db2.gz ZNJZFAYGEOZOSA-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000346093074 378461631 /nfs/dbraw/zinc/46/16/31/378461631.db2.gz ZNJZFAYGEOZOSA-AWEZNQCLSA-N 2 2 272.417 3.338 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccn1C ZINC000346239749 378516252 /nfs/dbraw/zinc/51/62/52/378516252.db2.gz PBVVLWUJJCJVES-LJQANCHMSA-N 2 2 299.462 3.271 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccn1C ZINC000346239749 378516260 /nfs/dbraw/zinc/51/62/60/378516260.db2.gz PBVVLWUJJCJVES-LJQANCHMSA-N 2 2 299.462 3.271 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc2cccnc12 ZINC000346326977 378544975 /nfs/dbraw/zinc/54/49/75/378544975.db2.gz OOOOAWZYVWPPMU-WMZOPIPTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc2cccnc12 ZINC000346326977 378544982 /nfs/dbraw/zinc/54/49/82/378544982.db2.gz OOOOAWZYVWPPMU-WMZOPIPTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc2cccnc12 ZINC000346326977 378544988 /nfs/dbraw/zinc/54/49/88/378544988.db2.gz OOOOAWZYVWPPMU-WMZOPIPTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc2cccnc12 ZINC000346326977 378544992 /nfs/dbraw/zinc/54/49/92/378544992.db2.gz OOOOAWZYVWPPMU-WMZOPIPTSA-N 2 2 295.430 3.069 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000272165617 378575899 /nfs/dbraw/zinc/57/58/99/378575899.db2.gz VYXCEDDPQJEHHF-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000272165617 378575904 /nfs/dbraw/zinc/57/59/04/378575904.db2.gz VYXCEDDPQJEHHF-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Cc1cc(NCc2c[nH+]cn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000272434649 378635646 /nfs/dbraw/zinc/63/56/46/378635646.db2.gz KFHPWRBKGOPLPF-CQSZACIVSA-N 2 2 299.422 3.114 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346593869 378637434 /nfs/dbraw/zinc/63/74/34/378637434.db2.gz OTIPOFGRCXGMNV-OAHLLOKOSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccncc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346601667 378640600 /nfs/dbraw/zinc/64/06/00/378640600.db2.gz HNXPMGFHUXRCJZ-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346641023 378657859 /nfs/dbraw/zinc/65/78/59/378657859.db2.gz KWXSSKVJUDRVPK-CYBMUJFWSA-N 2 2 276.380 3.087 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000346641023 378657865 /nfs/dbraw/zinc/65/78/65/378657865.db2.gz KWXSSKVJUDRVPK-CYBMUJFWSA-N 2 2 276.380 3.087 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000637992144 378659754 /nfs/dbraw/zinc/65/97/54/378659754.db2.gz GYFJRWJKTGVMHU-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000637992144 378659761 /nfs/dbraw/zinc/65/97/61/378659761.db2.gz GYFJRWJKTGVMHU-INIZCTEOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000346647786 378662077 /nfs/dbraw/zinc/66/20/77/378662077.db2.gz BHESCVZSUUOWCB-AWEZNQCLSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000346647786 378662083 /nfs/dbraw/zinc/66/20/83/378662083.db2.gz BHESCVZSUUOWCB-AWEZNQCLSA-N 2 2 281.469 3.216 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(C)cc(Cl)cc1C ZINC000346693211 378676499 /nfs/dbraw/zinc/67/64/99/378676499.db2.gz LMQSFWZYIMEMMZ-AWEZNQCLSA-N 2 2 266.816 3.141 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(C)cc(Cl)cc1C ZINC000346693211 378676505 /nfs/dbraw/zinc/67/65/05/378676505.db2.gz LMQSFWZYIMEMMZ-AWEZNQCLSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000346695462 378678310 /nfs/dbraw/zinc/67/83/10/378678310.db2.gz CATJOEUYZQLFBE-WBMJQRKESA-N 2 2 297.446 3.500 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000346695462 378678313 /nfs/dbraw/zinc/67/83/13/378678313.db2.gz CATJOEUYZQLFBE-WBMJQRKESA-N 2 2 297.446 3.500 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000272708010 378692236 /nfs/dbraw/zinc/69/22/36/378692236.db2.gz WQKPFCIOHUCXEV-UHFFFAOYSA-N 2 2 286.341 3.193 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000347152704 378710132 /nfs/dbraw/zinc/71/01/32/378710132.db2.gz PAPMZLWADVYPBX-TUKIKUTGSA-N 2 2 294.439 3.292 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000347152704 378710133 /nfs/dbraw/zinc/71/01/33/378710133.db2.gz PAPMZLWADVYPBX-TUKIKUTGSA-N 2 2 294.439 3.292 20 0 CGADLP CCC[C@@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)OC ZINC000638287540 378755620 /nfs/dbraw/zinc/75/56/20/378755620.db2.gz VAEPNNULNFBCMH-GJZGRUSLSA-N 2 2 296.480 3.290 20 0 CGADLP CC(C)[C@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349556 378774984 /nfs/dbraw/zinc/77/49/84/378774984.db2.gz QBARLMOJBKBUKM-IRXDYDNUSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000348067359 378775815 /nfs/dbraw/zinc/77/58/15/378775815.db2.gz FCRFDGYVTFHSTL-SJORKVTESA-N 2 2 269.392 3.210 20 0 CGADLP CC(C)O[C@@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000638359840 378777632 /nfs/dbraw/zinc/77/76/32/378777632.db2.gz SQRVVUOGIWVRIP-WBVHZDCISA-N 2 2 287.407 3.028 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@H+]1CC(C)C ZINC000348094732 378789267 /nfs/dbraw/zinc/78/92/67/378789267.db2.gz YXHAXSARSJQOQD-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C ZINC000348094732 378789271 /nfs/dbraw/zinc/78/92/71/378789271.db2.gz YXHAXSARSJQOQD-SFHVURJKSA-N 3 2 289.467 3.033 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C12CCCCC2 ZINC000346796547 218017298 /nfs/dbraw/zinc/01/72/98/218017298.db2.gz SGYLNMVJFBRTIM-LUKYLMHMSA-N 2 2 294.483 3.187 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C12CCCCC2 ZINC000346796547 218017300 /nfs/dbraw/zinc/01/73/00/218017300.db2.gz SGYLNMVJFBRTIM-LUKYLMHMSA-N 2 2 294.483 3.187 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[nH]c2c1 ZINC000638442279 378804157 /nfs/dbraw/zinc/80/41/57/378804157.db2.gz RFAURBJXELBYGT-BTTYYORXSA-N 2 2 269.392 3.131 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000348134600 378806772 /nfs/dbraw/zinc/80/67/72/378806772.db2.gz PTPRPIFRDRQRDJ-ZDUSSCGKSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCC2 ZINC000348134600 378806775 /nfs/dbraw/zinc/80/67/75/378806775.db2.gz PTPRPIFRDRQRDJ-ZDUSSCGKSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638601707 378846278 /nfs/dbraw/zinc/84/62/78/378846278.db2.gz OHNQSQZULKOHKW-NVXWUHKLSA-N 2 2 290.451 3.275 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC[C@@H]1CCO1)c1ccccc1 ZINC000638601706 378846307 /nfs/dbraw/zinc/84/63/07/378846307.db2.gz OHNQSQZULKOHKW-DOTOQJQBSA-N 2 2 290.451 3.275 20 0 CGADLP CC[C@@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000348242179 378859030 /nfs/dbraw/zinc/85/90/30/378859030.db2.gz KNAAKKPJPNHFLQ-CVEARBPZSA-N 2 2 271.408 3.303 20 0 CGADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348312628 378900734 /nfs/dbraw/zinc/90/07/34/378900734.db2.gz FTZBFJCMQJNNAO-SFHVURJKSA-N 2 2 286.419 3.451 20 0 CGADLP CCCc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000274854870 378907640 /nfs/dbraw/zinc/90/76/40/378907640.db2.gz YNBGRMIECGXNLU-CQSZACIVSA-N 2 2 257.381 3.014 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348417608 378949150 /nfs/dbraw/zinc/94/91/50/378949150.db2.gz IUKOVUVLEBXYMH-FUHWJXTLSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348417608 378949153 /nfs/dbraw/zinc/94/91/53/378949153.db2.gz IUKOVUVLEBXYMH-FUHWJXTLSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000639090908 379012981 /nfs/dbraw/zinc/01/29/81/379012981.db2.gz JAXPEOSCKXXMIL-RYRKJORJSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000348720709 379034362 /nfs/dbraw/zinc/03/43/62/379034362.db2.gz GDRLAWPJGFBDQV-QGZVFWFLSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000348720709 379034364 /nfs/dbraw/zinc/03/43/64/379034364.db2.gz GDRLAWPJGFBDQV-QGZVFWFLSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1cccnc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278640715 194081015 /nfs/dbraw/zinc/08/10/15/194081015.db2.gz IXLWHBMAVFOSFI-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000567825428 322178902 /nfs/dbraw/zinc/17/89/02/322178902.db2.gz LSAVYDKKIBWSIO-OAGGEKHMSA-N 2 2 263.429 3.468 20 0 CGADLP FC(F)(F)Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000639171980 379093121 /nfs/dbraw/zinc/09/31/21/379093121.db2.gz JSECATGMEOTAKY-UHFFFAOYSA-N 2 2 298.352 3.071 20 0 CGADLP FC(F)(F)Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000639171980 379093135 /nfs/dbraw/zinc/09/31/35/379093135.db2.gz JSECATGMEOTAKY-UHFFFAOYSA-N 2 2 298.352 3.071 20 0 CGADLP CC[C@@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851232 379085699 /nfs/dbraw/zinc/08/56/99/379085699.db2.gz YLHWYEQYTRIFSM-OLZOCXBDSA-N 2 2 258.369 3.173 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000639177798 379096437 /nfs/dbraw/zinc/09/64/37/379096437.db2.gz WWOMASSSBMSEEA-OAHLLOKOSA-N 2 2 299.418 3.067 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000639177798 379096439 /nfs/dbraw/zinc/09/64/39/379096439.db2.gz WWOMASSSBMSEEA-OAHLLOKOSA-N 2 2 299.418 3.067 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000349128895 379164563 /nfs/dbraw/zinc/16/45/63/379164563.db2.gz LKTCUDGBUDYOQP-GFCCVEGCSA-N 2 2 299.349 3.295 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000349128895 379164569 /nfs/dbraw/zinc/16/45/69/379164569.db2.gz LKTCUDGBUDYOQP-GFCCVEGCSA-N 2 2 299.349 3.295 20 0 CGADLP CC1CCC(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000349152619 379172094 /nfs/dbraw/zinc/17/20/94/379172094.db2.gz QESHMMFAYDGJLK-NRXISQOPSA-N 2 2 261.413 3.036 20 0 CGADLP CC1CCC(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000349152619 379172103 /nfs/dbraw/zinc/17/21/03/379172103.db2.gz QESHMMFAYDGJLK-NRXISQOPSA-N 2 2 261.413 3.036 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000195120413 284774293 /nfs/dbraw/zinc/77/42/93/284774293.db2.gz IXTOUPWZAALVKC-JQHSSLGASA-N 2 2 290.451 3.084 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000344172093 284773123 /nfs/dbraw/zinc/77/31/23/284773123.db2.gz OGIWOFOQVCYSFA-OAHLLOKOSA-N 2 2 296.499 3.434 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000349422403 379277014 /nfs/dbraw/zinc/27/70/14/379277014.db2.gz VLIJRSFTHOPKOO-HIFRSBDPSA-N 2 2 264.413 3.177 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000349422403 379277025 /nfs/dbraw/zinc/27/70/25/379277025.db2.gz VLIJRSFTHOPKOO-HIFRSBDPSA-N 2 2 264.413 3.177 20 0 CGADLP COc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000192669749 542268061 /nfs/dbraw/zinc/26/80/61/542268061.db2.gz LMUMEOAWJKUWED-CQSZACIVSA-N 2 2 294.414 3.046 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000639378590 379336860 /nfs/dbraw/zinc/33/68/60/379336860.db2.gz JMBGYHFMYSEPEL-UHFFFAOYSA-N 2 2 264.388 3.132 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347589559 218282621 /nfs/dbraw/zinc/28/26/21/218282621.db2.gz XYXDYTSRYGKDQP-ZFWWWQNUSA-N 2 2 263.429 3.338 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347589559 218282623 /nfs/dbraw/zinc/28/26/23/218282623.db2.gz XYXDYTSRYGKDQP-ZFWWWQNUSA-N 2 2 263.429 3.338 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)[C@H]3C[NH+]4CCC3CC4)[nH]c2c1 ZINC000639392261 379357847 /nfs/dbraw/zinc/35/78/47/379357847.db2.gz DFSOMXCSUQNMOS-SFHVURJKSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)[C@H]3C[NH+]4CCC3CC4)[nH]c2c1 ZINC000639392261 379357851 /nfs/dbraw/zinc/35/78/51/379357851.db2.gz DFSOMXCSUQNMOS-SFHVURJKSA-N 2 2 283.419 3.002 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccon1 ZINC000349832932 379410847 /nfs/dbraw/zinc/41/08/47/379410847.db2.gz KHPTVFVGJCOBAQ-IIAWOOMASA-N 2 2 291.439 3.368 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542470 379462417 /nfs/dbraw/zinc/46/24/17/379462417.db2.gz HSECKNWAQWWPHR-ACJLOTCBSA-N 2 2 298.434 3.286 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1 ZINC000639542470 379462422 /nfs/dbraw/zinc/46/24/22/379462422.db2.gz HSECKNWAQWWPHR-ACJLOTCBSA-N 2 2 298.434 3.286 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000347622148 218295207 /nfs/dbraw/zinc/29/52/07/218295207.db2.gz VSIDCTGLWMYHOO-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000347622148 218295210 /nfs/dbraw/zinc/29/52/10/218295210.db2.gz VSIDCTGLWMYHOO-LSDHHAIUSA-N 2 2 263.429 3.420 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccns1 ZINC000639806805 379595026 /nfs/dbraw/zinc/59/50/26/379595026.db2.gz GSKOMXXSGIWQEJ-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccns1 ZINC000639806805 379595035 /nfs/dbraw/zinc/59/50/35/379595035.db2.gz GSKOMXXSGIWQEJ-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000280204217 379639212 /nfs/dbraw/zinc/63/92/12/379639212.db2.gz AMIXSHQYVJVWNG-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000280204217 379639220 /nfs/dbraw/zinc/63/92/20/379639220.db2.gz AMIXSHQYVJVWNG-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280204217 379639230 /nfs/dbraw/zinc/63/92/30/379639230.db2.gz AMIXSHQYVJVWNG-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(Cl)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000280204217 379639238 /nfs/dbraw/zinc/63/92/38/379639238.db2.gz AMIXSHQYVJVWNG-WFASDCNBSA-N 2 2 296.842 3.263 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](CCOc2ccccc2)CC1 ZINC000639981279 379672505 /nfs/dbraw/zinc/67/25/05/379672505.db2.gz ISYKLTXPHMWBOJ-UHFFFAOYSA-N 2 2 288.435 3.016 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377782597 379739586 /nfs/dbraw/zinc/73/95/86/379739586.db2.gz QDSKIJWQAJOMLU-CQSZACIVSA-N 2 2 293.370 3.317 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377782597 379739596 /nfs/dbraw/zinc/73/95/96/379739596.db2.gz QDSKIJWQAJOMLU-CQSZACIVSA-N 2 2 293.370 3.317 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000377798298 379743587 /nfs/dbraw/zinc/74/35/87/379743587.db2.gz GUIUCRBDDDZQIB-WDEREUQCSA-N 2 2 261.394 3.069 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000377798298 379743588 /nfs/dbraw/zinc/74/35/88/379743588.db2.gz GUIUCRBDDDZQIB-WDEREUQCSA-N 2 2 261.394 3.069 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377799071 379743611 /nfs/dbraw/zinc/74/36/11/379743611.db2.gz QIEMVYCABFWZQA-IUODEOHRSA-N 2 2 269.392 3.180 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377799071 379743613 /nfs/dbraw/zinc/74/36/13/379743613.db2.gz QIEMVYCABFWZQA-IUODEOHRSA-N 2 2 269.392 3.180 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccco1 ZINC000267271929 190316926 /nfs/dbraw/zinc/31/69/26/190316926.db2.gz MPONWTSQCVFKPX-MAUKXSAKSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccco1 ZINC000267271929 190316927 /nfs/dbraw/zinc/31/69/27/190316927.db2.gz MPONWTSQCVFKPX-MAUKXSAKSA-N 2 2 284.403 3.280 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377827493 379748990 /nfs/dbraw/zinc/74/89/90/379748990.db2.gz XGZHGLDKVZJPQW-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377827493 379748993 /nfs/dbraw/zinc/74/89/93/379748993.db2.gz XGZHGLDKVZJPQW-MRXNPFEDSA-N 2 2 299.418 3.197 20 0 CGADLP c1cn(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)c[nH+]1 ZINC000378338770 379805469 /nfs/dbraw/zinc/80/54/69/379805469.db2.gz WKLCNENSIVHKAW-KRWDZBQOSA-N 2 2 284.407 3.189 20 0 CGADLP Cc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])o2)cc1 ZINC000352488911 379834144 /nfs/dbraw/zinc/83/41/44/379834144.db2.gz VYSHNOUHXRFIPN-MRXNPFEDSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3CC[NH3+])o2)cc1 ZINC000352488911 379834147 /nfs/dbraw/zinc/83/41/47/379834147.db2.gz VYSHNOUHXRFIPN-MRXNPFEDSA-N 2 2 299.418 3.353 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)cs1 ZINC000347787074 218357686 /nfs/dbraw/zinc/35/76/86/218357686.db2.gz GTZKZFCOMGSHDT-GFCCVEGCSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ccc(CCC[N@H+](CCC[NH3+])CC2CCCC2)c[nH+]1 ZINC000352526485 379844273 /nfs/dbraw/zinc/84/42/73/379844273.db2.gz OBQWLGPMNIIJFD-UHFFFAOYSA-N 3 2 289.467 3.164 20 0 CGADLP Cc1ccc(CCC[N@@H+](CCC[NH3+])CC2CCCC2)c[nH+]1 ZINC000352526485 379844283 /nfs/dbraw/zinc/84/42/83/379844283.db2.gz OBQWLGPMNIIJFD-UHFFFAOYSA-N 3 2 289.467 3.164 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)oc1C ZINC000282159170 379863446 /nfs/dbraw/zinc/86/34/46/379863446.db2.gz LPDMLHZYTAAGNT-CYBMUJFWSA-N 2 2 252.402 3.277 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)oc1C ZINC000282159170 379863453 /nfs/dbraw/zinc/86/34/53/379863453.db2.gz LPDMLHZYTAAGNT-CYBMUJFWSA-N 2 2 252.402 3.277 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)oc1C ZINC000282403518 379912421 /nfs/dbraw/zinc/91/24/21/379912421.db2.gz XZJOCBNVFRZKTA-ZDUSSCGKSA-N 2 2 250.386 3.033 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000352702448 379916955 /nfs/dbraw/zinc/91/69/55/379916955.db2.gz WYRPUCQSCBGNIS-HNNXBMFYSA-N 2 2 298.365 3.152 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000282427541 379918230 /nfs/dbraw/zinc/91/82/30/379918230.db2.gz YWJHSBJZSCLWNU-HOTGVXAUSA-N 2 2 291.439 3.069 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399145900 379936274 /nfs/dbraw/zinc/93/62/74/379936274.db2.gz WWBVZXQGOIUOPB-IJEWVQPXSA-N 2 2 276.424 3.265 20 0 CGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[NH+](C)C ZINC000352820483 379981989 /nfs/dbraw/zinc/98/19/89/379981989.db2.gz CZBPOUQRTADFRD-SUIFULHWSA-N 2 2 298.377 3.231 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+]CC3(C)COC3)ccc2n1C1CC1 ZINC000352869220 380012529 /nfs/dbraw/zinc/01/25/29/380012529.db2.gz OKJAEUISLVYWJQ-UHFFFAOYSA-N 2 2 299.418 3.060 20 0 CGADLP c1ccc([C@@H]2C[C@H]2[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066491 380100512 /nfs/dbraw/zinc/10/05/12/380100512.db2.gz MRFRWGOQOVBLQG-FGTMMUONSA-N 2 2 280.371 3.091 20 0 CGADLP c1ccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066491 380100517 /nfs/dbraw/zinc/10/05/17/380100517.db2.gz MRFRWGOQOVBLQG-FGTMMUONSA-N 2 2 280.371 3.091 20 0 CGADLP C[NH+](C)Cc1cnc(CNc2cc(C3CC3)cc[nH+]2)s1 ZINC000353085982 380108974 /nfs/dbraw/zinc/10/89/74/380108974.db2.gz VLIPYNDNOKHXTA-UHFFFAOYSA-N 2 2 288.420 3.089 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000641797117 380110803 /nfs/dbraw/zinc/11/08/03/380110803.db2.gz UXDISAMYQXQRKS-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000641797117 380110809 /nfs/dbraw/zinc/11/08/09/380110809.db2.gz UXDISAMYQXQRKS-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000286248145 380182997 /nfs/dbraw/zinc/18/29/97/380182997.db2.gz UGTCZVILYBQLQE-OAHLLOKOSA-N 2 2 275.440 3.305 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000353248785 380189380 /nfs/dbraw/zinc/18/93/80/380189380.db2.gz MIHYERDDYYEPSZ-OAGGEKHMSA-N 2 2 281.403 3.193 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000353248785 380189389 /nfs/dbraw/zinc/18/93/89/380189389.db2.gz MIHYERDDYYEPSZ-OAGGEKHMSA-N 2 2 281.403 3.193 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945810 380247814 /nfs/dbraw/zinc/24/78/14/380247814.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000353945810 380247819 /nfs/dbraw/zinc/24/78/19/380247819.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 3 2 289.467 3.177 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000353970164 380258201 /nfs/dbraw/zinc/25/82/01/380258201.db2.gz CETRFDQZACBRMW-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000353970164 380258206 /nfs/dbraw/zinc/25/82/06/380258206.db2.gz CETRFDQZACBRMW-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000353980183 380261042 /nfs/dbraw/zinc/26/10/42/380261042.db2.gz AEHKWKWORREMOO-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000353980183 380261047 /nfs/dbraw/zinc/26/10/47/380261047.db2.gz AEHKWKWORREMOO-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000643500978 380322546 /nfs/dbraw/zinc/32/25/46/380322546.db2.gz MLFKOLQKJATHQJ-NWDGAFQWSA-N 2 2 252.427 3.103 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cnc2ccsc2c1 ZINC000643502171 380324258 /nfs/dbraw/zinc/32/42/58/380324258.db2.gz ZFXGTCGLDAPVEO-AAEUAGOBSA-N 2 2 275.421 3.089 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C(C)C)cc1 ZINC000643502098 380324555 /nfs/dbraw/zinc/32/45/55/380324555.db2.gz XMTDPXRHFQITFT-WBVHZDCISA-N 2 2 276.424 3.124 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643501744 380324691 /nfs/dbraw/zinc/32/46/91/380324691.db2.gz PCWSDVMNTUWJHH-GXTWGEPZSA-N 2 2 262.397 3.025 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502701 380326326 /nfs/dbraw/zinc/32/63/26/380326326.db2.gz OKUIGUFVCGHEJP-CXAGYDPISA-N 2 2 283.419 3.277 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c2ccccc12 ZINC000643505818 380326588 /nfs/dbraw/zinc/32/65/88/380326588.db2.gz AFDGUYCELHAEJJ-CYBMUJFWSA-N 2 2 284.403 3.251 20 0 CGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506503 380328066 /nfs/dbraw/zinc/32/80/66/380328066.db2.gz ZAVRSBYGCRSWHC-ZDUSSCGKSA-N 2 2 282.840 3.219 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507633 380330189 /nfs/dbraw/zinc/33/01/89/380330189.db2.gz LGKXLUOYVRSKFG-HNNXBMFYSA-N 2 2 264.800 3.059 20 0 CGADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508879 380331625 /nfs/dbraw/zinc/33/16/25/380331625.db2.gz JYHUUHSJYZLCCC-GOEBONIOSA-N 2 2 274.433 3.359 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000643508611 380332093 /nfs/dbraw/zinc/33/20/93/380332093.db2.gz MDJARUICPLUUSG-YVEFUNNKSA-N 2 2 286.423 3.192 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000643369580 380298193 /nfs/dbraw/zinc/29/81/93/380298193.db2.gz KZCIRCYBYFOBMM-KSZLIROESA-N 2 2 281.403 3.324 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000643369580 380298198 /nfs/dbraw/zinc/29/81/98/380298198.db2.gz KZCIRCYBYFOBMM-KSZLIROESA-N 2 2 281.403 3.324 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643514519 380336263 /nfs/dbraw/zinc/33/62/63/380336263.db2.gz LHZGSJLLEULQBA-IAQYHMDHSA-N 2 2 268.351 3.059 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])CC(C)C ZINC000414683205 380371032 /nfs/dbraw/zinc/37/10/32/380371032.db2.gz SWGZPMSYFRAFGM-HNNXBMFYSA-N 2 2 252.377 3.021 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1)C[C@@H]([NH3+])CC(C)C ZINC000414683205 380371037 /nfs/dbraw/zinc/37/10/37/380371037.db2.gz SWGZPMSYFRAFGM-HNNXBMFYSA-N 2 2 252.377 3.021 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414686895 380372891 /nfs/dbraw/zinc/37/28/91/380372891.db2.gz BRTRKNDNCGOQJF-YPMHNXCESA-N 2 2 269.458 3.126 20 0 CGADLP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414686895 380372894 /nfs/dbraw/zinc/37/28/94/380372894.db2.gz BRTRKNDNCGOQJF-YPMHNXCESA-N 2 2 269.458 3.126 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000354289908 380388086 /nfs/dbraw/zinc/38/80/86/380388086.db2.gz NUNQMCHTJDGGNJ-RBSFLKMASA-N 2 2 269.392 3.393 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000643527163 380343023 /nfs/dbraw/zinc/34/30/23/380343023.db2.gz KGGAKEMTLIHXSS-LRDDRELGSA-N 2 2 274.795 3.366 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000643527916 380345258 /nfs/dbraw/zinc/34/52/58/380345258.db2.gz VFTXAKHBXOVVSG-IUCAKERBSA-N 2 2 297.196 3.193 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc2cc(Br)ccc2o1 ZINC000643527915 380345541 /nfs/dbraw/zinc/34/55/41/380345541.db2.gz VFTXAKHBXOVVSG-DTWKUNHWSA-N 2 2 297.196 3.193 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000354166235 380351434 /nfs/dbraw/zinc/35/14/34/380351434.db2.gz KNADTGKBSRZRDC-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)s1 ZINC000354166235 380351437 /nfs/dbraw/zinc/35/14/37/380351437.db2.gz KNADTGKBSRZRDC-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000354166235 380351441 /nfs/dbraw/zinc/35/14/41/380351441.db2.gz KNADTGKBSRZRDC-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000354166235 380351444 /nfs/dbraw/zinc/35/14/44/380351444.db2.gz KNADTGKBSRZRDC-HNNXBMFYSA-N 2 2 296.505 3.388 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537336 380353622 /nfs/dbraw/zinc/35/36/22/380353622.db2.gz FKEYRUQHVWSDAW-RWMBFGLXSA-N 2 2 270.417 3.125 20 0 CGADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2c1 ZINC000414657495 380353868 /nfs/dbraw/zinc/35/38/68/380353868.db2.gz KCLRPXHHLSOYLV-MLGOLLRUSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])cc2c1 ZINC000414657495 380353877 /nfs/dbraw/zinc/35/38/77/380353877.db2.gz KCLRPXHHLSOYLV-MLGOLLRUSA-N 2 2 288.391 3.001 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000643537353 380353974 /nfs/dbraw/zinc/35/39/74/380353974.db2.gz GAZQRCXIABZBGU-LUKYLMHMSA-N 2 2 276.399 3.002 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660980 380357120 /nfs/dbraw/zinc/35/71/20/380357120.db2.gz PIOUBEUVRRFQQX-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000414660980 380357125 /nfs/dbraw/zinc/35/71/25/380357125.db2.gz PIOUBEUVRRFQQX-NWDGAFQWSA-N 2 2 284.806 3.347 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1Br ZINC000414811737 380423899 /nfs/dbraw/zinc/42/38/99/380423899.db2.gz ZYWPPJWAXYFQDC-UHFFFAOYSA-N 2 2 285.229 3.056 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829819 380438574 /nfs/dbraw/zinc/43/85/74/380438574.db2.gz LGHDPRINQHCTQS-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP CC[NH+]1CCC(CC[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354453836 380444343 /nfs/dbraw/zinc/44/43/43/380444343.db2.gz FGVLWOCZBQZOBP-UHFFFAOYSA-N 3 2 289.467 3.034 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000414842310 380447331 /nfs/dbraw/zinc/44/73/31/380447331.db2.gz YYHMLASFHYGTJR-MAUKXSAKSA-N 2 2 268.404 3.155 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000414841590 380448330 /nfs/dbraw/zinc/44/83/30/380448330.db2.gz YHPCWCSAYWMWLY-OAHLLOKOSA-N 2 2 294.320 3.495 20 0 CGADLP CO[C@@]1(C)C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000354472031 380451739 /nfs/dbraw/zinc/45/17/39/380451739.db2.gz WVOOQXDJXGYFGE-RDJZCZTQSA-N 2 2 276.424 3.116 20 0 CGADLP CSCCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354473266 380452634 /nfs/dbraw/zinc/45/26/34/380452634.db2.gz XPPXHTCGNSMHTN-UHFFFAOYSA-N 2 2 252.427 3.055 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414800793 380412756 /nfs/dbraw/zinc/41/27/56/380412756.db2.gz IQWJSVKLQREESB-UHFFFAOYSA-N 2 2 289.448 3.417 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414806459 380418487 /nfs/dbraw/zinc/41/84/87/380418487.db2.gz BTHIYFJZDGLIFE-ZDUSSCGKSA-N 2 2 292.320 3.452 20 0 CGADLP C[C@@H](CC[NH+](C)C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354557965 380485442 /nfs/dbraw/zinc/48/54/42/380485442.db2.gz IKRRUNZUCGUGOT-NSHDSACASA-N 2 2 261.344 3.126 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414937339 380496280 /nfs/dbraw/zinc/49/62/80/380496280.db2.gz DJRHKLBPUZBMHO-FZMZJTMJSA-N 2 2 279.453 3.031 20 0 CGADLP Clc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414941864 380499785 /nfs/dbraw/zinc/49/97/85/380499785.db2.gz BFWZSBGCCUSYGI-QGZVFWFLSA-N 2 2 286.806 3.317 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC1CCOCC1 ZINC000415068147 380507427 /nfs/dbraw/zinc/50/74/27/380507427.db2.gz QHHOCCWXVRNPPD-RDTXWAMCSA-N 2 2 290.451 3.044 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c[nH+]1 ZINC000354658552 380518600 /nfs/dbraw/zinc/51/86/00/380518600.db2.gz JHWFYFXGPSSFTE-QGZVFWFLSA-N 3 2 289.467 3.177 20 0 CGADLP Clc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1Cl ZINC000414906088 380483256 /nfs/dbraw/zinc/48/32/56/380483256.db2.gz ORYQURSRQYZBDR-LLVKDONJSA-N 2 2 273.207 3.225 20 0 CGADLP c1cn([C@H]2CCC[N@H+]([C@@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083347 380575615 /nfs/dbraw/zinc/57/56/15/380575615.db2.gz PRFSRFXHFBNFDJ-CVEARBPZSA-N 2 2 259.397 3.409 20 0 CGADLP c1cn([C@H]2CCC[N@@H+]([C@@H]3C=CCCCCC3)C2)c[nH+]1 ZINC000645083347 380575617 /nfs/dbraw/zinc/57/56/17/380575617.db2.gz PRFSRFXHFBNFDJ-CVEARBPZSA-N 2 2 259.397 3.409 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000417353041 380604017 /nfs/dbraw/zinc/60/40/17/380604017.db2.gz HVEQAZZJXYJELD-CVEARBPZSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cc([C@H]([NH2+]CC2([NH+](C)C)CC2)C2CC2)ccc1F ZINC000417352207 380604140 /nfs/dbraw/zinc/60/41/40/380604140.db2.gz FJLQFTTZILJYRV-MRXNPFEDSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH+](C)C)CC1)CCCO2 ZINC000417359389 380607995 /nfs/dbraw/zinc/60/79/95/380607995.db2.gz VVJXDSVLSQKKNT-MRXNPFEDSA-N 2 2 288.435 3.201 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000417360941 380610114 /nfs/dbraw/zinc/61/01/14/380610114.db2.gz XUXZZZXASCYAOG-HOTGVXAUSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[NH+](C)C ZINC000645406583 380673927 /nfs/dbraw/zinc/67/39/27/380673927.db2.gz ALKHEKUOTKMJEL-LRDDRELGSA-N 2 2 280.843 3.201 20 0 CGADLP CCn1c[nH+]cc1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000417775337 380677229 /nfs/dbraw/zinc/67/72/29/380677229.db2.gz MWMHEXRFLIOSIT-CQSZACIVSA-N 2 2 290.436 3.177 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000417775337 380677232 /nfs/dbraw/zinc/67/72/32/380677232.db2.gz MWMHEXRFLIOSIT-CQSZACIVSA-N 2 2 290.436 3.177 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000355733538 380762538 /nfs/dbraw/zinc/76/25/38/380762538.db2.gz LOSFNMZGOQNGFV-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000355733538 380762542 /nfs/dbraw/zinc/76/25/42/380762542.db2.gz LOSFNMZGOQNGFV-KFWWJZLASA-N 2 2 282.472 3.043 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000356104437 380790215 /nfs/dbraw/zinc/79/02/15/380790215.db2.gz VJYXOYLQHVKJDB-OAHLLOKOSA-N 2 2 284.513 3.372 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CCC1 ZINC000356104437 380790226 /nfs/dbraw/zinc/79/02/26/380790226.db2.gz VJYXOYLQHVKJDB-OAHLLOKOSA-N 2 2 284.513 3.372 20 0 CGADLP c1cn(CC[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c[nH+]1 ZINC000646118257 380842478 /nfs/dbraw/zinc/84/24/78/380842478.db2.gz GLIRPDIVULYMJR-KRWDZBQOSA-N 2 2 279.387 3.276 20 0 CGADLP c1cn(CC[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c[nH+]1 ZINC000646118257 380842481 /nfs/dbraw/zinc/84/24/81/380842481.db2.gz GLIRPDIVULYMJR-KRWDZBQOSA-N 2 2 279.387 3.276 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1Cl ZINC000356970709 380964099 /nfs/dbraw/zinc/96/40/99/380964099.db2.gz BZRNHUFDFYZCSV-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1Cl ZINC000356970709 380964109 /nfs/dbraw/zinc/96/41/09/380964109.db2.gz BZRNHUFDFYZCSV-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1Cl ZINC000356970709 380964119 /nfs/dbraw/zinc/96/41/19/380964119.db2.gz BZRNHUFDFYZCSV-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1Cl ZINC000356970709 380964127 /nfs/dbraw/zinc/96/41/27/380964127.db2.gz BZRNHUFDFYZCSV-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP c1ccc(N2CCC([NH2+]CC34CCC(CC3)C4)CC2)[nH+]c1 ZINC000358370469 381305839 /nfs/dbraw/zinc/30/58/39/381305839.db2.gz SOGFOZMHEMIJFG-UHFFFAOYSA-N 2 2 285.435 3.220 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000359509808 381351024 /nfs/dbraw/zinc/35/10/24/381351024.db2.gz IGBSKGNGJLHYBM-GUYCJALGSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359635678 381356960 /nfs/dbraw/zinc/35/69/60/381356960.db2.gz PJXHFTGOHBNDOS-LOWVWBTDSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359635678 381356963 /nfs/dbraw/zinc/35/69/63/381356963.db2.gz PJXHFTGOHBNDOS-LOWVWBTDSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000360039848 381421151 /nfs/dbraw/zinc/42/11/51/381421151.db2.gz ROSALIDMDBANQR-CJNGLKHVSA-N 2 2 273.380 3.021 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458968 381550150 /nfs/dbraw/zinc/55/01/50/381550150.db2.gz ITUOJDLESMQFAF-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000360458968 381550152 /nfs/dbraw/zinc/55/01/52/381550152.db2.gz ITUOJDLESMQFAF-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000361494884 381774576 /nfs/dbraw/zinc/77/45/76/381774576.db2.gz ARLMTNPZVDGAIH-MRXNPFEDSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cncc(F)c1 ZINC000361495846 381775393 /nfs/dbraw/zinc/77/53/93/381775393.db2.gz HQVLKNWYVLPALV-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CC4(C3)CCCC4)cc2)c[nH+]1 ZINC000362310404 381938456 /nfs/dbraw/zinc/93/84/56/381938456.db2.gz YKOQHDXQCFZUQK-UHFFFAOYSA-N 2 2 267.376 3.248 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2ncsc2c1 ZINC000362574591 382062264 /nfs/dbraw/zinc/06/22/64/382062264.db2.gz GMKMGFOSNORQJP-LBPRGKRZSA-N 2 2 286.404 3.234 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000232672123 542306701 /nfs/dbraw/zinc/30/67/01/542306701.db2.gz HUVLOKCKPRESQM-ZBFHGGJFSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000235223829 542310766 /nfs/dbraw/zinc/31/07/66/542310766.db2.gz ANVLHTMTQWUJKN-RISCZKNCSA-N 2 2 252.789 3.133 20 0 CGADLP Oc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237975219 542319000 /nfs/dbraw/zinc/31/90/00/542319000.db2.gz VEFPGWKMXYELCO-SFHVURJKSA-N 2 2 296.414 3.146 20 0 CGADLP Oc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237975219 542319005 /nfs/dbraw/zinc/31/90/05/542319005.db2.gz VEFPGWKMXYELCO-SFHVURJKSA-N 2 2 296.414 3.146 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC13CCCC3)CCCC2 ZINC000367439709 382348475 /nfs/dbraw/zinc/34/84/75/382348475.db2.gz WKWHZGJYVDWXER-AWEZNQCLSA-N 2 2 259.397 3.032 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335019008 207478943 /nfs/dbraw/zinc/47/89/43/207478943.db2.gz ZCRMGZNBRYBKPV-GFCCVEGCSA-N 2 2 264.800 3.229 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738163 220289550 /nfs/dbraw/zinc/28/95/50/220289550.db2.gz KQPLZEKOHKDSEC-STQMWFEESA-N 2 2 282.453 3.061 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738163 220289555 /nfs/dbraw/zinc/28/95/55/220289555.db2.gz KQPLZEKOHKDSEC-STQMWFEESA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738163 220289558 /nfs/dbraw/zinc/28/95/58/220289558.db2.gz KQPLZEKOHKDSEC-STQMWFEESA-N 2 2 282.453 3.061 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2sccc2OC)C[C@@H]1C ZINC000353738163 220289562 /nfs/dbraw/zinc/28/95/62/220289562.db2.gz KQPLZEKOHKDSEC-STQMWFEESA-N 2 2 282.453 3.061 20 0 CGADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC000353744608 220295958 /nfs/dbraw/zinc/29/59/58/220295958.db2.gz GEBMKPFPRUIDKW-KGLIPLIRSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)o1 ZINC000353744608 220295963 /nfs/dbraw/zinc/29/59/63/220295963.db2.gz GEBMKPFPRUIDKW-KGLIPLIRSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000353744608 220295964 /nfs/dbraw/zinc/29/59/64/220295964.db2.gz GEBMKPFPRUIDKW-KGLIPLIRSA-N 2 2 264.413 3.147 20 0 CGADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)o1 ZINC000353744608 220295969 /nfs/dbraw/zinc/29/59/69/220295969.db2.gz GEBMKPFPRUIDKW-KGLIPLIRSA-N 2 2 264.413 3.147 20 0 CGADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000273841930 542370301 /nfs/dbraw/zinc/37/03/01/542370301.db2.gz JRQWANPHWDEATR-INIZCTEOSA-N 2 2 255.365 3.110 20 0 CGADLP c1cn(CC[N@H+]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000273841930 542370305 /nfs/dbraw/zinc/37/03/05/542370305.db2.gz JRQWANPHWDEATR-INIZCTEOSA-N 2 2 255.365 3.110 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000289339299 197302978 /nfs/dbraw/zinc/30/29/78/197302978.db2.gz VXOFSICSVVGSEK-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000289339299 197302980 /nfs/dbraw/zinc/30/29/80/197302980.db2.gz VXOFSICSVVGSEK-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccs1 ZINC000289287905 197285090 /nfs/dbraw/zinc/28/50/90/197285090.db2.gz PJJORSQAYDATLW-UHFFFAOYSA-N 2 2 260.406 3.216 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289257861 197277451 /nfs/dbraw/zinc/27/74/51/197277451.db2.gz NZTWEVPMBNQJDW-SUMWQHHRSA-N 2 2 294.402 3.420 20 0 CGADLP CSC1(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000289063021 197225027 /nfs/dbraw/zinc/22/50/27/197225027.db2.gz CAWYDVVILVHXML-UHFFFAOYSA-N 2 2 289.448 3.220 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000288440266 197078539 /nfs/dbraw/zinc/07/85/39/197078539.db2.gz LUXOQUHAGPEJDR-DNVCBOLYSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000288440266 197078541 /nfs/dbraw/zinc/07/85/41/197078541.db2.gz LUXOQUHAGPEJDR-DNVCBOLYSA-N 2 2 296.414 3.145 20 0 CGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000335319731 542466753 /nfs/dbraw/zinc/46/67/53/542466753.db2.gz ZQVYTSLPQNYGNT-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000335319731 542466757 /nfs/dbraw/zinc/46/67/57/542466757.db2.gz ZQVYTSLPQNYGNT-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336723340 542479007 /nfs/dbraw/zinc/47/90/07/542479007.db2.gz WBOWBQSHZPISRC-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336723340 542479009 /nfs/dbraw/zinc/47/90/09/542479009.db2.gz WBOWBQSHZPISRC-QFBILLFUSA-N 2 2 295.430 3.143 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000352447719 542552906 /nfs/dbraw/zinc/55/29/06/542552906.db2.gz NTPJXVBLBAVJQD-UHFFFAOYSA-N 2 2 283.331 3.095 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)cn1 ZINC000359619057 533384502 /nfs/dbraw/zinc/38/45/02/533384502.db2.gz IQSDQDCPARHXNP-GFCCVEGCSA-N 2 2 290.798 3.283 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[C@H]1C ZINC000414077117 533444065 /nfs/dbraw/zinc/44/40/65/533444065.db2.gz QVNZSBYHLHBQQN-BZPMIXESSA-N 2 2 273.355 3.146 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000361481686 533451921 /nfs/dbraw/zinc/45/19/21/533451921.db2.gz PTVHOLVCXGEOSJ-CYBMUJFWSA-N 2 2 257.381 3.397 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000423369280 533498726 /nfs/dbraw/zinc/49/87/26/533498726.db2.gz OAZHGSYZSOYDRL-DTWKUNHWSA-N 2 2 252.745 3.084 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1Cl ZINC000423551738 533540675 /nfs/dbraw/zinc/54/06/75/533540675.db2.gz JLUWFUAKWZQGRP-NEPJUHHUSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000396629277 542616491 /nfs/dbraw/zinc/61/64/91/542616491.db2.gz ZHOCNOUNPMNRJX-DZGCQCFKSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378782 542645855 /nfs/dbraw/zinc/64/58/55/542645855.db2.gz XFZYGBLMHPMXQY-JTNHKYCSSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071206140 392190298 /nfs/dbraw/zinc/19/02/98/392190298.db2.gz STUDCFYZDWONDG-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071206140 392190304 /nfs/dbraw/zinc/19/03/04/392190304.db2.gz STUDCFYZDWONDG-KBAYOESNSA-N 2 2 272.436 3.429 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000285824903 392335431 /nfs/dbraw/zinc/33/54/31/392335431.db2.gz WPFVCECJXKFJJA-HOTGVXAUSA-N 2 2 275.440 3.305 20 0 CGADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000285824903 392335435 /nfs/dbraw/zinc/33/54/35/392335435.db2.gz WPFVCECJXKFJJA-HOTGVXAUSA-N 2 2 275.440 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)C[N@@H+]1C1CC1 ZINC000252714802 131137078 /nfs/dbraw/zinc/13/70/78/131137078.db2.gz SZCKZOVPUIAKRF-IOASZLSFSA-N 2 2 288.460 3.438 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)C[N@H+]1C1CC1 ZINC000252714802 131137080 /nfs/dbraw/zinc/13/70/80/131137080.db2.gz SZCKZOVPUIAKRF-IOASZLSFSA-N 2 2 288.460 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000361970570 392379176 /nfs/dbraw/zinc/37/91/76/392379176.db2.gz HYFWJMDHVBFOMG-ZBFHGGJFSA-N 2 2 278.465 3.083 20 0 CGADLP c1cn(CCC[NH2+][C@H](c2ccccc2)C2CCOCC2)c[nH+]1 ZINC000361987975 392382290 /nfs/dbraw/zinc/38/22/90/392382290.db2.gz UQFMPUWMDZQPAH-GOSISDBHSA-N 2 2 299.418 3.031 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287326034 392395498 /nfs/dbraw/zinc/39/54/98/392395498.db2.gz LTTYFPHBRNKAHW-UHFFFAOYSA-N 2 2 294.402 3.052 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287326034 392395501 /nfs/dbraw/zinc/39/55/01/392395501.db2.gz LTTYFPHBRNKAHW-UHFFFAOYSA-N 2 2 294.402 3.052 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000154519574 392535169 /nfs/dbraw/zinc/53/51/69/392535169.db2.gz JZLCRPVGZYNPRU-DZGCQCFKSA-N 2 2 294.826 3.238 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000154519574 392535174 /nfs/dbraw/zinc/53/51/74/392535174.db2.gz JZLCRPVGZYNPRU-DZGCQCFKSA-N 2 2 294.826 3.238 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000163289491 392604153 /nfs/dbraw/zinc/60/41/53/392604153.db2.gz AXGOORISAFHMDC-QAPCUYQASA-N 2 2 290.451 3.010 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)cc1 ZINC000163289491 392604157 /nfs/dbraw/zinc/60/41/57/392604157.db2.gz AXGOORISAFHMDC-QAPCUYQASA-N 2 2 290.451 3.010 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccccc1 ZINC000163264463 392604334 /nfs/dbraw/zinc/60/43/34/392604334.db2.gz IVNLMHVAVQTKDJ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccccc1 ZINC000163264463 392604338 /nfs/dbraw/zinc/60/43/38/392604338.db2.gz IVNLMHVAVQTKDJ-MSOLQXFVSA-N 2 2 290.451 3.228 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592190 392681415 /nfs/dbraw/zinc/68/14/15/392681415.db2.gz GFTTZLXHZPBXHF-QAPCUYQASA-N 2 2 299.418 3.365 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000374592190 392681422 /nfs/dbraw/zinc/68/14/22/392681422.db2.gz GFTTZLXHZPBXHF-QAPCUYQASA-N 2 2 299.418 3.365 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCC(F)(F)CC1 ZINC000647283974 392634721 /nfs/dbraw/zinc/63/47/21/392634721.db2.gz VPWUOUGNQQIXIM-INIZCTEOSA-N 2 2 296.405 3.327 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706687 392661083 /nfs/dbraw/zinc/66/10/83/392661083.db2.gz RGCQDPAKNATSLT-NVXWUHKLSA-N 2 2 258.409 3.272 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C)c1 ZINC000311706687 392661092 /nfs/dbraw/zinc/66/10/92/392661092.db2.gz RGCQDPAKNATSLT-NVXWUHKLSA-N 2 2 258.409 3.272 20 0 CGADLP c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488739 392739169 /nfs/dbraw/zinc/73/91/69/392739169.db2.gz PQGIHIXALSXRBW-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000647488739 392739171 /nfs/dbraw/zinc/73/91/71/392739171.db2.gz PQGIHIXALSXRBW-MOPGFXCFSA-N 2 2 295.430 3.341 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554218 392768952 /nfs/dbraw/zinc/76/89/52/392768952.db2.gz UHVYTXVBVHJPCR-CQSZACIVSA-N 2 2 298.352 3.470 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC[C@H]3C)cn21 ZINC000647364973 392707795 /nfs/dbraw/zinc/70/77/95/392707795.db2.gz UNLVWFLAWNUWFO-CZUORRHYSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C3CC3)C3CCC3)cn21 ZINC000647363640 392708075 /nfs/dbraw/zinc/70/80/75/392708075.db2.gz FPUPEBAUDYXFER-SFHVURJKSA-N 2 2 283.419 3.354 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793355 392798823 /nfs/dbraw/zinc/79/88/23/392798823.db2.gz UVPOTIQERWYUCH-DMRZNYOFSA-N 2 2 258.409 3.383 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ncc[nH]1 ZINC000375844108 392832019 /nfs/dbraw/zinc/83/20/19/392832019.db2.gz ZREGTSXCGWJHLP-GJZGRUSLSA-N 2 2 298.434 3.286 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924742 392834867 /nfs/dbraw/zinc/83/48/67/392834867.db2.gz HBELMBAFLCAJIC-NSHDSACASA-N 2 2 297.240 3.323 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccsc1 ZINC000382143392 392918792 /nfs/dbraw/zinc/91/87/92/392918792.db2.gz QYJNSSRXBUJXPA-AWEZNQCLSA-N 2 2 263.410 3.466 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1scnc1C1CC1 ZINC000487550918 542712276 /nfs/dbraw/zinc/71/22/76/542712276.db2.gz MYQGVVFXIHQLRG-UHFFFAOYSA-N 2 2 273.405 3.056 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382048843 392916463 /nfs/dbraw/zinc/91/64/63/392916463.db2.gz FKECTENMUOONAV-KBJXHQRYSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000390520008 392926228 /nfs/dbraw/zinc/92/62/28/392926228.db2.gz GFZNESDJUKILLM-AESZEHBQSA-N 2 2 260.425 3.141 20 0 CGADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000390520008 392926232 /nfs/dbraw/zinc/92/62/32/392926232.db2.gz GFZNESDJUKILLM-AESZEHBQSA-N 2 2 260.425 3.141 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CN(C)Cc3ccccc32)c[nH+]1 ZINC000526984047 542741939 /nfs/dbraw/zinc/74/19/39/542741939.db2.gz DEVRQMAAHKJCIR-LJQANCHMSA-N 2 2 295.430 3.099 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772265 392955527 /nfs/dbraw/zinc/95/55/27/392955527.db2.gz HWPHTJXOUOSASR-UGUYLWEFSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772265 392955530 /nfs/dbraw/zinc/95/55/30/392955530.db2.gz HWPHTJXOUOSASR-UGUYLWEFSA-N 2 2 250.430 3.028 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)c[nH+]1 ZINC000403162127 392956534 /nfs/dbraw/zinc/95/65/34/392956534.db2.gz AKKCIIXBXZXZAI-BZUAXINKSA-N 2 2 267.376 3.151 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772268 392954870 /nfs/dbraw/zinc/95/48/70/392954870.db2.gz HWPHTJXOUOSASR-WCVJEAGWSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772268 392954873 /nfs/dbraw/zinc/95/48/73/392954873.db2.gz HWPHTJXOUOSASR-WCVJEAGWSA-N 2 2 250.430 3.028 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000340166421 392965209 /nfs/dbraw/zinc/96/52/09/392965209.db2.gz PIDKVQUOOSXDRL-MSOLQXFVSA-N 2 2 281.403 3.007 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000340166421 392965211 /nfs/dbraw/zinc/96/52/11/392965211.db2.gz PIDKVQUOOSXDRL-MSOLQXFVSA-N 2 2 281.403 3.007 20 0 CGADLP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463246533 392971389 /nfs/dbraw/zinc/97/13/89/392971389.db2.gz IYKPGUSFQDFPIZ-CHWSQXEVSA-N 2 2 292.389 3.429 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000648437501 393016248 /nfs/dbraw/zinc/01/62/48/393016248.db2.gz YCNMXDZNWHBGSR-UONOGXRCSA-N 2 2 287.407 3.043 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450154 393023433 /nfs/dbraw/zinc/02/34/33/393023433.db2.gz ZVIZNIYECVZAGI-SJKOYZFVSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc(F)c1 ZINC000648450154 393023441 /nfs/dbraw/zinc/02/34/41/393023441.db2.gz ZVIZNIYECVZAGI-SJKOYZFVSA-N 2 2 294.389 3.142 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@H]1c1ccccc1 ZINC000340525329 392974988 /nfs/dbraw/zinc/97/49/88/392974988.db2.gz HOUJLNVMLDHHHT-NXOAAHMSSA-N 2 2 276.399 3.302 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)C[C@H]1c1ccccc1 ZINC000340525329 392974990 /nfs/dbraw/zinc/97/49/90/392974990.db2.gz HOUJLNVMLDHHHT-NXOAAHMSSA-N 2 2 276.399 3.302 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC)cc1 ZINC000346784070 393093976 /nfs/dbraw/zinc/09/39/76/393093976.db2.gz WJXCCCBUBFMMPN-BVGQSLNGSA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC)cc1 ZINC000346784070 393093981 /nfs/dbraw/zinc/09/39/81/393093981.db2.gz WJXCCCBUBFMMPN-BVGQSLNGSA-N 2 2 288.435 3.219 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000547268910 393100729 /nfs/dbraw/zinc/10/07/29/393100729.db2.gz SOABSAUYBLRKCF-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000547268910 393100733 /nfs/dbraw/zinc/10/07/33/393100733.db2.gz SOABSAUYBLRKCF-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@@H+]1C ZINC000648465000 393034915 /nfs/dbraw/zinc/03/49/15/393034915.db2.gz NJNIVFKZUFYGPF-GXFFZTMASA-N 2 2 293.798 3.054 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc3cc(Cl)cnc3o2)CC[N@H+]1C ZINC000648465000 393034917 /nfs/dbraw/zinc/03/49/17/393034917.db2.gz NJNIVFKZUFYGPF-GXFFZTMASA-N 2 2 293.798 3.054 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546573644 393056980 /nfs/dbraw/zinc/05/69/80/393056980.db2.gz GNSUNWHNZGCPFK-SJORKVTESA-N 2 2 272.436 3.420 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000546573644 393056987 /nfs/dbraw/zinc/05/69/87/393056987.db2.gz GNSUNWHNZGCPFK-SJORKVTESA-N 2 2 272.436 3.420 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414951874 393060217 /nfs/dbraw/zinc/06/02/17/393060217.db2.gz JLDZTLKLVAQZQZ-NHYWBVRUSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000546613982 393061403 /nfs/dbraw/zinc/06/14/03/393061403.db2.gz ZDUYGECBJSKHBI-KGLIPLIRSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@@H](CCc1ccsc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000546613982 393061406 /nfs/dbraw/zinc/06/14/06/393061406.db2.gz ZDUYGECBJSKHBI-KGLIPLIRSA-N 2 2 266.454 3.001 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000414955892 393062535 /nfs/dbraw/zinc/06/25/35/393062535.db2.gz NVXDBMDGJYMZDH-IFXJQAMLSA-N 2 2 298.405 3.406 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414954056 393062948 /nfs/dbraw/zinc/06/29/48/393062948.db2.gz MNNGPOZPLODPAR-NOZJJQNGSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000414957570 393065192 /nfs/dbraw/zinc/06/51/92/393065192.db2.gz QDCYCOKLZYTISK-HNAYVOBHSA-N 2 2 280.415 3.267 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414959244 393067788 /nfs/dbraw/zinc/06/77/88/393067788.db2.gz SDUPMSAPVSSSIM-IFXJQAMLSA-N 2 2 298.405 3.233 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414972692 393073418 /nfs/dbraw/zinc/07/34/18/393073418.db2.gz BIDIFSOQKMXBPK-SNVBAGLBSA-N 2 2 280.721 3.186 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc3c(c2)CCCN3)c[nH+]1 ZINC000414974180 393075819 /nfs/dbraw/zinc/07/58/19/393075819.db2.gz DCLBLZYFRMXSMS-UHFFFAOYSA-N 2 2 295.430 3.471 20 0 CGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414976839 393075868 /nfs/dbraw/zinc/07/58/68/393075868.db2.gz QLTVETDTAZXSOW-ZDUSSCGKSA-N 2 2 287.234 3.471 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414982284 393078665 /nfs/dbraw/zinc/07/86/65/393078665.db2.gz CQTNJVYTBNPRQB-LLVKDONJSA-N 2 2 280.721 3.186 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414988352 393080284 /nfs/dbraw/zinc/08/02/84/393080284.db2.gz ZRZDSWKEANZQJG-KRWDZBQOSA-N 2 2 284.403 3.189 20 0 CGADLP c1sc(-c2ccccc2)nc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415064609 393124376 /nfs/dbraw/zinc/12/43/76/393124376.db2.gz CZKBECTYENCZKY-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1sccc1C ZINC000415065013 393124587 /nfs/dbraw/zinc/12/45/87/393124587.db2.gz LZPOBYBWVNTMHK-HNNXBMFYSA-N 2 2 274.433 3.409 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1Cc2ccccc2C1 ZINC000415068448 393126428 /nfs/dbraw/zinc/12/64/28/393126428.db2.gz QXTYVKYZQBEPAT-LJQANCHMSA-N 2 2 280.415 3.006 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157884 393181559 /nfs/dbraw/zinc/18/15/59/393181559.db2.gz MQELZWVFNQKNHG-JFIYKMOQSA-N 2 2 286.463 3.427 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000548157884 393181563 /nfs/dbraw/zinc/18/15/63/393181563.db2.gz MQELZWVFNQKNHG-JFIYKMOQSA-N 2 2 286.463 3.427 20 0 CGADLP Cc1ccc(CCCN2C[C@@H](C)[NH2+]Cc3ccccc32)c[nH+]1 ZINC000415095828 393142810 /nfs/dbraw/zinc/14/28/10/393142810.db2.gz COFKZQAKAMNXLC-MRXNPFEDSA-N 2 2 295.430 3.321 20 0 CGADLP COc1ccc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)cc1Cl ZINC000415112215 393149498 /nfs/dbraw/zinc/14/94/98/393149498.db2.gz AVGNRJILOGLFQQ-CYBMUJFWSA-N 2 2 284.831 3.154 20 0 CGADLP COc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)cc1Cl ZINC000415112215 393149503 /nfs/dbraw/zinc/14/95/03/393149503.db2.gz AVGNRJILOGLFQQ-CYBMUJFWSA-N 2 2 284.831 3.154 20 0 CGADLP Cc1cccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000415130015 393154282 /nfs/dbraw/zinc/15/42/82/393154282.db2.gz WFWYUPWHNJSFBC-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000415130015 393154287 /nfs/dbraw/zinc/15/42/87/393154287.db2.gz WFWYUPWHNJSFBC-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000468805399 393161745 /nfs/dbraw/zinc/16/17/45/393161745.db2.gz CGTZHXMWAIJCSZ-SZMVWBNQSA-N 2 2 274.452 3.041 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000468805399 393161746 /nfs/dbraw/zinc/16/17/46/393161746.db2.gz CGTZHXMWAIJCSZ-SZMVWBNQSA-N 2 2 274.452 3.041 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCCC2 ZINC000353248469 393217420 /nfs/dbraw/zinc/21/74/20/393217420.db2.gz KLHCVBPOFZICCR-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCCC2 ZINC000353248469 393217425 /nfs/dbraw/zinc/21/74/25/393217425.db2.gz KLHCVBPOFZICCR-PMPSAXMXSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000269046892 393221065 /nfs/dbraw/zinc/22/10/65/393221065.db2.gz YRNDBGRGJAOWCG-KCPJHIHWSA-N 2 2 276.449 3.198 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000269046892 393221074 /nfs/dbraw/zinc/22/10/74/393221074.db2.gz YRNDBGRGJAOWCG-KCPJHIHWSA-N 2 2 276.449 3.198 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000470197486 393231145 /nfs/dbraw/zinc/23/11/45/393231145.db2.gz ITSHQJSIIQZVOA-ZDUSSCGKSA-N 2 2 268.832 3.373 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000470197486 393231152 /nfs/dbraw/zinc/23/11/52/393231152.db2.gz ITSHQJSIIQZVOA-ZDUSSCGKSA-N 2 2 268.832 3.373 20 0 CGADLP Fc1ccc(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271196932 393245739 /nfs/dbraw/zinc/24/57/39/393245739.db2.gz OWOCHTMDZKTZJE-OWOJBTEDSA-N 2 2 285.366 3.442 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560788 393200424 /nfs/dbraw/zinc/20/04/24/393200424.db2.gz RQKCGLDWHIRFGR-RISCZKNCSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000469560788 393200431 /nfs/dbraw/zinc/20/04/31/393200431.db2.gz RQKCGLDWHIRFGR-RISCZKNCSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000268808341 393203815 /nfs/dbraw/zinc/20/38/15/393203815.db2.gz JXHYUIBGZKTQBU-CJNGLKHVSA-N 2 2 269.392 3.284 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)o1 ZINC000268979734 393214119 /nfs/dbraw/zinc/21/41/19/393214119.db2.gz HPMWPWAHRHOOIE-XAGWURHQSA-N 2 2 262.397 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)o1 ZINC000268979734 393214121 /nfs/dbraw/zinc/21/41/21/393214121.db2.gz HPMWPWAHRHOOIE-XAGWURHQSA-N 2 2 262.397 3.030 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211423 393389880 /nfs/dbraw/zinc/38/98/80/393389880.db2.gz QZOGSCNHTNVWBX-ZBFHGGJFSA-N 2 2 276.399 3.131 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647211423 393389887 /nfs/dbraw/zinc/38/98/87/393389887.db2.gz QZOGSCNHTNVWBX-ZBFHGGJFSA-N 2 2 276.399 3.131 20 0 CGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C1CC1 ZINC000356287300 393408169 /nfs/dbraw/zinc/40/81/69/393408169.db2.gz TUARSQXTPYSSMR-QGZVFWFLSA-N 2 2 281.403 3.493 20 0 CGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C1CC1 ZINC000356287300 393408172 /nfs/dbraw/zinc/40/81/72/393408172.db2.gz TUARSQXTPYSSMR-QGZVFWFLSA-N 2 2 281.403 3.493 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000474924125 393356914 /nfs/dbraw/zinc/35/69/14/393356914.db2.gz HTUOZBLINCLSQT-ARFHVFGLSA-N 2 2 275.440 3.392 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000474946382 393361631 /nfs/dbraw/zinc/36/16/31/393361631.db2.gz ZLMOEKXTHDFXRW-XUWVNRHRSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000474946382 393361638 /nfs/dbraw/zinc/36/16/38/393361638.db2.gz ZLMOEKXTHDFXRW-XUWVNRHRSA-N 2 2 252.446 3.274 20 0 CGADLP Fc1ccc(C[N@H+]2CC=CCC2)cc1C[NH+]1CC=CCC1 ZINC000649417312 393417367 /nfs/dbraw/zinc/41/73/67/393417367.db2.gz XJNXHDYVYDYWEH-UHFFFAOYSA-N 2 2 286.394 3.350 20 0 CGADLP Fc1ccc(C[N@@H+]2CC=CCC2)cc1C[NH+]1CC=CCC1 ZINC000649417312 393417372 /nfs/dbraw/zinc/41/73/72/393417372.db2.gz XJNXHDYVYDYWEH-UHFFFAOYSA-N 2 2 286.394 3.350 20 0 CGADLP Fc1ccc(C[NH+]2CC=CCC2)cc1C[N@H+]1CC=CCC1 ZINC000649417312 393417376 /nfs/dbraw/zinc/41/73/76/393417376.db2.gz XJNXHDYVYDYWEH-UHFFFAOYSA-N 2 2 286.394 3.350 20 0 CGADLP Fc1ccc(C[NH+]2CC=CCC2)cc1C[N@@H+]1CC=CCC1 ZINC000649417312 393417379 /nfs/dbraw/zinc/41/73/79/393417379.db2.gz XJNXHDYVYDYWEH-UHFFFAOYSA-N 2 2 286.394 3.350 20 0 CGADLP [NH3+]C1(C[NH2+]C2c3ccccc3-c3ccccc32)CCC1 ZINC000420314197 393460774 /nfs/dbraw/zinc/46/07/74/393460774.db2.gz VHTFFCNAMZWNGV-UHFFFAOYSA-N 2 2 264.372 3.227 20 0 CGADLP Cc1c(Br)cccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420333714 393470236 /nfs/dbraw/zinc/47/02/36/393470236.db2.gz SUXMYSBCKHAJEG-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1c(Br)cccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000420333714 393470245 /nfs/dbraw/zinc/47/02/45/393470245.db2.gz SUXMYSBCKHAJEG-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359634 393471767 /nfs/dbraw/zinc/47/17/67/393471767.db2.gz GFRXHGGQYZMIJD-JTNHKYCSSA-N 2 2 286.341 3.182 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420365362 393475002 /nfs/dbraw/zinc/47/50/02/393475002.db2.gz PWYUJRCQUZNDBY-HNNXBMFYSA-N 2 2 287.407 3.113 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000420376677 393478186 /nfs/dbraw/zinc/47/81/86/393478186.db2.gz VKRZGJAHVYKZFE-GOSISDBHSA-N 2 2 283.419 3.232 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000420378484 393478539 /nfs/dbraw/zinc/47/85/39/393478539.db2.gz UNGZBTGUWYHUQT-NKWVEPMBSA-N 2 2 265.159 3.130 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000488373997 393497746 /nfs/dbraw/zinc/49/77/46/393497746.db2.gz XUOXNHUSUJHLDW-USXIJHARSA-N 2 2 260.425 3.315 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407084 393501583 /nfs/dbraw/zinc/50/15/83/393501583.db2.gz BNTQGIAACVQTNF-HZPDHXFCSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407084 393501591 /nfs/dbraw/zinc/50/15/91/393501591.db2.gz BNTQGIAACVQTNF-HZPDHXFCSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000488442393 393513938 /nfs/dbraw/zinc/51/39/38/393513938.db2.gz MLFNPGNROZNXPP-OPQOLIRYSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000488442393 393513942 /nfs/dbraw/zinc/51/39/42/393513942.db2.gz MLFNPGNROZNXPP-OPQOLIRYSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792350 393516206 /nfs/dbraw/zinc/51/62/06/393516206.db2.gz KJHPEDLPZKTQSO-RWMBFGLXSA-N 2 2 293.480 3.155 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000357792350 393516211 /nfs/dbraw/zinc/51/62/11/393516211.db2.gz KJHPEDLPZKTQSO-RWMBFGLXSA-N 2 2 293.480 3.155 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c[nH+]1 ZINC000430087272 393520577 /nfs/dbraw/zinc/52/05/77/393520577.db2.gz SRWVAJVMOOAZGH-LSDHHAIUSA-N 2 2 280.362 3.300 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c[nH+]1 ZINC000430087272 393520579 /nfs/dbraw/zinc/52/05/79/393520579.db2.gz SRWVAJVMOOAZGH-LSDHHAIUSA-N 2 2 280.362 3.300 20 0 CGADLP CC(C)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488465569 393523791 /nfs/dbraw/zinc/52/37/91/393523791.db2.gz OQCPBKLFHXNGED-UHFFFAOYSA-N 2 2 280.378 3.381 20 0 CGADLP CC(C)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488465569 393523793 /nfs/dbraw/zinc/52/37/93/393523793.db2.gz OQCPBKLFHXNGED-UHFFFAOYSA-N 2 2 280.378 3.381 20 0 CGADLP CSC[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430191196 393534808 /nfs/dbraw/zinc/53/48/08/393534808.db2.gz FRJWYCLRLMTJHT-INIZCTEOSA-N 2 2 278.465 3.398 20 0 CGADLP CSC[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430191196 393534814 /nfs/dbraw/zinc/53/48/14/393534814.db2.gz FRJWYCLRLMTJHT-INIZCTEOSA-N 2 2 278.465 3.398 20 0 CGADLP CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000649701690 393548473 /nfs/dbraw/zinc/54/84/73/393548473.db2.gz KFPQLEFVQLYAKM-GOSISDBHSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2OC)[NH+]1CCCC1 ZINC000360064531 393559392 /nfs/dbraw/zinc/55/93/92/393559392.db2.gz VARMTQBOWIUOAF-YOEHRIQHSA-N 2 2 288.435 3.147 20 0 CGADLP c1csc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)c1 ZINC000666855224 542820856 /nfs/dbraw/zinc/82/08/56/542820856.db2.gz GLKHDGGAGLXSRN-LLVKDONJSA-N 2 2 293.461 3.103 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000360762422 393583325 /nfs/dbraw/zinc/58/33/25/393583325.db2.gz GLAVDSSMKGBLFY-OEUWWYETSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000360762422 393583333 /nfs/dbraw/zinc/58/33/33/393583333.db2.gz GLAVDSSMKGBLFY-OEUWWYETSA-N 2 2 276.399 3.002 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000422917214 393645546 /nfs/dbraw/zinc/64/55/46/393645546.db2.gz FNZDPOBWNLXIRW-VQISRLSMSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000361034454 393651592 /nfs/dbraw/zinc/65/15/92/393651592.db2.gz WYLXMFYLCZUFFE-UMVBOHGHSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361034454 393651598 /nfs/dbraw/zinc/65/15/98/393651598.db2.gz WYLXMFYLCZUFFE-UMVBOHGHSA-N 2 2 266.454 3.142 20 0 CGADLP Clc1c[nH+]ccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000361042875 393653461 /nfs/dbraw/zinc/65/34/61/393653461.db2.gz BNOMUZWYTJXNSO-UHFFFAOYSA-N 2 2 284.750 3.159 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423302010 393660608 /nfs/dbraw/zinc/66/06/08/393660608.db2.gz UZWIOAXONBNWBX-GDBMZVCRSA-N 2 2 276.424 3.316 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc2ccccc21 ZINC000423363835 393664329 /nfs/dbraw/zinc/66/43/29/393664329.db2.gz NYZFBGXXGIHHHH-DEYYWGMASA-N 2 2 268.404 3.488 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423382822 393665628 /nfs/dbraw/zinc/66/56/28/393665628.db2.gz OPVBASQNSAIBAO-IUODEOHRSA-N 2 2 296.842 3.450 20 0 CGADLP C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000361085524 393668896 /nfs/dbraw/zinc/66/88/96/393668896.db2.gz IJOVBDFJIYOFEB-GDBMZVCRSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCc2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000361085524 393668899 /nfs/dbraw/zinc/66/88/99/393668899.db2.gz IJOVBDFJIYOFEB-GDBMZVCRSA-N 2 2 289.448 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433085995 393684490 /nfs/dbraw/zinc/68/44/90/393684490.db2.gz YEWBFXPVRXGSCB-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433085995 393684493 /nfs/dbraw/zinc/68/44/93/393684493.db2.gz YEWBFXPVRXGSCB-QGZVFWFLSA-N 2 2 269.392 3.071 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423481941 393670325 /nfs/dbraw/zinc/67/03/25/393670325.db2.gz XAJHDOFHUWZJTR-UKRRQHHQSA-N 2 2 250.386 3.146 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000361100141 393671740 /nfs/dbraw/zinc/67/17/40/393671740.db2.gz XPUNBXFMAPJZLC-LLVKDONJSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@H]1COCC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442880652 393740831 /nfs/dbraw/zinc/74/08/31/393740831.db2.gz XREFQQLVDITGBP-DLBZAZTESA-N 2 2 294.483 3.047 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000443427461 393756503 /nfs/dbraw/zinc/75/65/03/393756503.db2.gz GKIXZYRHENQZRM-HUUCEWRRSA-N 2 2 285.366 3.413 20 0 CGADLP Fc1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443427461 393756504 /nfs/dbraw/zinc/75/65/04/393756504.db2.gz GKIXZYRHENQZRM-HUUCEWRRSA-N 2 2 285.366 3.413 20 0 CGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666966086 542829626 /nfs/dbraw/zinc/82/96/26/542829626.db2.gz ITFGKSPPWQLZPE-CQSZACIVSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[N@@H+]1C ZINC000449174400 393875863 /nfs/dbraw/zinc/87/58/63/393875863.db2.gz PKIQIMACSGJCRI-CDMKHQONSA-N 2 2 298.352 3.164 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[N@H+]1C ZINC000449174400 393875866 /nfs/dbraw/zinc/87/58/66/393875866.db2.gz PKIQIMACSGJCRI-CDMKHQONSA-N 2 2 298.352 3.164 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000502919172 393887782 /nfs/dbraw/zinc/88/77/82/393887782.db2.gz LSWBEKSDWURMFP-AEFFLSMTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000502919172 393887790 /nfs/dbraw/zinc/88/77/90/393887790.db2.gz LSWBEKSDWURMFP-AEFFLSMTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502919172 393887794 /nfs/dbraw/zinc/88/77/94/393887794.db2.gz LSWBEKSDWURMFP-AEFFLSMTSA-N 2 2 290.426 3.350 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000502919172 393887798 /nfs/dbraw/zinc/88/77/98/393887798.db2.gz LSWBEKSDWURMFP-AEFFLSMTSA-N 2 2 290.426 3.350 20 0 CGADLP Clc1cscc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968914 542830566 /nfs/dbraw/zinc/83/05/66/542830566.db2.gz IOYYJCIBTSJEJL-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968914 542830569 /nfs/dbraw/zinc/83/05/69/542830569.db2.gz IOYYJCIBTSJEJL-RISCZKNCSA-N 2 2 284.856 3.366 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccncc1 ZINC000453080626 394164225 /nfs/dbraw/zinc/16/42/25/394164225.db2.gz KBKRPXZSNCWAEV-INIZCTEOSA-N 2 2 294.402 3.481 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C ZINC000453223389 394210992 /nfs/dbraw/zinc/21/09/92/394210992.db2.gz REHRZUFYCXBIMR-BMFZPTHFSA-N 2 2 293.455 3.445 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccccc2C(F)(F)F)n1C ZINC000667494309 542877173 /nfs/dbraw/zinc/87/71/73/542877173.db2.gz VKULZPQWXLTVLG-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)n1C ZINC000667494309 542877174 /nfs/dbraw/zinc/87/71/74/542877174.db2.gz VKULZPQWXLTVLG-UHFFFAOYSA-N 2 2 297.324 3.379 20 0 CGADLP CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC1 ZINC000453142970 394186286 /nfs/dbraw/zinc/18/62/86/394186286.db2.gz ZJEJJWCHALHRKG-OAHLLOKOSA-N 2 2 261.413 3.442 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)n1C ZINC000667655322 542908742 /nfs/dbraw/zinc/90/87/42/542908742.db2.gz BPKMMBAAOZDJNP-GFCCVEGCSA-N 2 2 291.826 3.445 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)n1C ZINC000667655322 542908746 /nfs/dbraw/zinc/90/87/46/542908746.db2.gz BPKMMBAAOZDJNP-GFCCVEGCSA-N 2 2 291.826 3.445 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658677 542909673 /nfs/dbraw/zinc/90/96/73/542909673.db2.gz NARKWVZQBOTWMM-ZFWWWQNUSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658677 542909677 /nfs/dbraw/zinc/90/96/77/542909677.db2.gz NARKWVZQBOTWMM-ZFWWWQNUSA-N 2 2 299.393 3.346 20 0 CGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667672532 542914471 /nfs/dbraw/zinc/91/44/71/542914471.db2.gz VURFMCRTCKBUMM-YOEHRIQHSA-N 2 2 281.403 3.207 20 0 CGADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1([NH+]2CCSCC2)CCCC1 ZINC000667783057 542928542 /nfs/dbraw/zinc/92/85/42/542928542.db2.gz DRNBMYWTYVHZPW-PMPSAXMXSA-N 2 2 294.508 3.126 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc21 ZINC000668168927 542979833 /nfs/dbraw/zinc/97/98/33/542979833.db2.gz DDUHGJCZSWCFSB-CQSZACIVSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc21 ZINC000668168927 542979835 /nfs/dbraw/zinc/97/98/35/542979835.db2.gz DDUHGJCZSWCFSB-CQSZACIVSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)n1C ZINC000668235542 542995719 /nfs/dbraw/zinc/99/57/19/542995719.db2.gz NKPUIIGNTPVJIY-ZWKOTPCHSA-N 2 2 283.419 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1C ZINC000668239844 542996651 /nfs/dbraw/zinc/99/66/51/542996651.db2.gz SKUGIOQGYSKBSG-SFHVURJKSA-N 2 2 295.430 3.498 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1C ZINC000668239844 542996652 /nfs/dbraw/zinc/99/66/52/542996652.db2.gz SKUGIOQGYSKBSG-SFHVURJKSA-N 2 2 295.430 3.498 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275196 543000955 /nfs/dbraw/zinc/00/09/55/543000955.db2.gz UYQAIRIVEPPYAI-ZBFHGGJFSA-N 2 2 287.451 3.478 20 0 CGADLP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668275196 543000958 /nfs/dbraw/zinc/00/09/58/543000958.db2.gz UYQAIRIVEPPYAI-ZBFHGGJFSA-N 2 2 287.451 3.478 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000668430580 543012484 /nfs/dbraw/zinc/01/24/84/543012484.db2.gz KMOAZEBUJIJQMI-GVDBMIGSSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000668430580 543012486 /nfs/dbraw/zinc/01/24/86/543012486.db2.gz KMOAZEBUJIJQMI-GVDBMIGSSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H](CC1CCCCC1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539829 543024683 /nfs/dbraw/zinc/02/46/83/543024683.db2.gz NQZYMIFQIMHHPW-AWEZNQCLSA-N 2 2 252.446 3.086 20 0 CGADLP C[C@@H](CC1CCCCC1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539829 543024686 /nfs/dbraw/zinc/02/46/86/543024686.db2.gz NQZYMIFQIMHHPW-AWEZNQCLSA-N 2 2 252.446 3.086 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1-c1ccccc1 ZINC000668676252 543042605 /nfs/dbraw/zinc/04/26/05/543042605.db2.gz OLLZXXYOEDERFR-GJZGRUSLSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1-c1ccccc1 ZINC000668676252 543042608 /nfs/dbraw/zinc/04/26/08/543042608.db2.gz OLLZXXYOEDERFR-GJZGRUSLSA-N 2 2 267.376 3.023 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000668683285 543044120 /nfs/dbraw/zinc/04/41/20/543044120.db2.gz UQKPWAZLHMFRFT-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000668683285 543044121 /nfs/dbraw/zinc/04/41/21/543044121.db2.gz UQKPWAZLHMFRFT-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154473 543142090 /nfs/dbraw/zinc/14/20/90/543142090.db2.gz BBWONVRXXSQSIG-QZHFEQFPSA-N 2 2 284.447 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154473 543142092 /nfs/dbraw/zinc/14/20/92/543142092.db2.gz BBWONVRXXSQSIG-QZHFEQFPSA-N 2 2 284.447 3.253 20 0 CGADLP Cc1cc[nH+]c(NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000675288723 543326280 /nfs/dbraw/zinc/32/62/80/543326280.db2.gz OJOYODLCWGGMJE-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766709 543362165 /nfs/dbraw/zinc/36/21/65/543362165.db2.gz NZCHRBODUAQJMD-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766709 543362167 /nfs/dbraw/zinc/36/21/67/543362167.db2.gz NZCHRBODUAQJMD-ZWKOTPCHSA-N 2 2 274.452 3.472 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000675766851 543362174 /nfs/dbraw/zinc/36/21/74/543362174.db2.gz PUQDNEJDQBFPAW-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000675766851 543362176 /nfs/dbraw/zinc/36/21/76/543362176.db2.gz PUQDNEJDQBFPAW-XHDPSFHLSA-N 2 2 264.800 3.011 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675768458 543362856 /nfs/dbraw/zinc/36/28/56/543362856.db2.gz YDLPNXQPNAGJRK-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675768458 543362859 /nfs/dbraw/zinc/36/28/59/543362859.db2.gz YDLPNXQPNAGJRK-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000675763663 543361300 /nfs/dbraw/zinc/36/13/00/543361300.db2.gz QQBSWNVDHZABIG-QGZVFWFLSA-N 2 2 269.392 3.249 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000675938412 543375459 /nfs/dbraw/zinc/37/54/59/543375459.db2.gz GMQOJWVQKYPSCW-WMLDXEAASA-N 2 2 256.393 3.130 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC=CC2)C1 ZINC000675938412 543375460 /nfs/dbraw/zinc/37/54/60/543375460.db2.gz GMQOJWVQKYPSCW-WMLDXEAASA-N 2 2 256.393 3.130 20 0 CGADLP CCc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)on1 ZINC000675898627 543371790 /nfs/dbraw/zinc/37/17/90/543371790.db2.gz WDKVRFYYERMICN-UHFFFAOYSA-N 2 2 291.439 3.124 20 0 CGADLP CCC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917616 543373659 /nfs/dbraw/zinc/37/36/59/543373659.db2.gz DGKJIVUQZWISBR-GDBMZVCRSA-N 2 2 271.408 3.482 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000675923933 543374054 /nfs/dbraw/zinc/37/40/54/543374054.db2.gz VOUFGUJYNOJTNA-PVAVHDDUSA-N 2 2 283.419 3.482 20 0 CGADLP C[C@@H](C[NH2+]Cc1cscc1Cl)Cn1cc[nH+]c1 ZINC000676414461 543396258 /nfs/dbraw/zinc/39/62/58/543396258.db2.gz DDYAXUBGVHSOMX-JTQLQIEISA-N 2 2 269.801 3.024 20 0 CGADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479365 543398844 /nfs/dbraw/zinc/39/88/44/543398844.db2.gz SDCDIFMZQFACCP-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP CCc1cccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479365 543398845 /nfs/dbraw/zinc/39/88/45/543398845.db2.gz SDCDIFMZQFACCP-QGZVFWFLSA-N 2 2 299.418 3.161 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000676490858 543399924 /nfs/dbraw/zinc/39/99/24/543399924.db2.gz SUSZHYNUFSGLLT-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C)sc2C)C1 ZINC000676490858 543399925 /nfs/dbraw/zinc/39/99/25/543399925.db2.gz SUSZHYNUFSGLLT-FZMZJTMJSA-N 2 2 281.469 3.142 20 0 CGADLP COC1CCC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186319606 292160564 /nfs/dbraw/zinc/16/05/64/292160564.db2.gz WYDAWIFFOIEGQB-AGERRDQYSA-N 2 2 290.451 3.225 20 0 CGADLP CC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749897 543463829 /nfs/dbraw/zinc/46/38/29/543463829.db2.gz PSOWAOXDDCFAKE-MRXNPFEDSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749897 543463831 /nfs/dbraw/zinc/46/38/31/543463831.db2.gz PSOWAOXDDCFAKE-MRXNPFEDSA-N 2 2 272.436 3.429 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804474 543466831 /nfs/dbraw/zinc/46/68/31/543466831.db2.gz GMRDXVZBGFPFOJ-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000677804474 543466832 /nfs/dbraw/zinc/46/68/32/543466832.db2.gz GMRDXVZBGFPFOJ-ZBFHGGJFSA-N 2 2 278.827 3.401 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)n1 ZINC000678411172 543520532 /nfs/dbraw/zinc/52/05/32/543520532.db2.gz IIWULGMQTVEDSQ-AWEZNQCLSA-N 2 2 294.402 3.239 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000678607338 543544989 /nfs/dbraw/zinc/54/49/89/543544989.db2.gz IWGNAHCMEVGJBX-QGZVFWFLSA-N 2 2 288.341 3.488 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000678822154 543563251 /nfs/dbraw/zinc/56/32/51/543563251.db2.gz FFBJJVUGGZNUTM-KRWDZBQOSA-N 2 2 283.419 3.498 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000678822154 543563252 /nfs/dbraw/zinc/56/32/52/543563252.db2.gz FFBJJVUGGZNUTM-KRWDZBQOSA-N 2 2 283.419 3.498 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678911207 543571659 /nfs/dbraw/zinc/57/16/59/543571659.db2.gz UJPSBEVUYNKBOI-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678911207 543571661 /nfs/dbraw/zinc/57/16/61/543571661.db2.gz UJPSBEVUYNKBOI-IAGOWNOFSA-N 2 2 260.425 3.254 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427850818 292215550 /nfs/dbraw/zinc/21/55/50/292215550.db2.gz BMSLDTOHEYYHFC-FGTMMUONSA-N 2 2 295.430 3.432 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101434 292338554 /nfs/dbraw/zinc/33/85/54/292338554.db2.gz KFXHQCAXWZDPSK-DZGCQCFKSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101434 292338557 /nfs/dbraw/zinc/33/85/57/292338557.db2.gz KFXHQCAXWZDPSK-DZGCQCFKSA-N 2 2 297.402 3.079 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186329100 292378321 /nfs/dbraw/zinc/37/83/21/292378321.db2.gz YCWHZPXCCLMLCL-INMHGKMJSA-N 2 2 278.440 3.083 20 0 CGADLP Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC000068411246 286978745 /nfs/dbraw/zinc/97/87/45/286978745.db2.gz OCKPVCMZEIVMSP-UHFFFAOYSA-N 2 2 295.386 3.238 20 0 CGADLP COc1cccc([C@@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000079413341 287056505 /nfs/dbraw/zinc/05/65/05/287056505.db2.gz HJSKJGHBHGYASC-CQSZACIVSA-N 2 2 276.424 3.219 20 0 CGADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000536585272 288487102 /nfs/dbraw/zinc/48/71/02/288487102.db2.gz JQBXXRQGPPZHHW-OAHLLOKOSA-N 2 2 272.396 3.189 20 0 CGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000085401441 287082017 /nfs/dbraw/zinc/08/20/17/287082017.db2.gz FMXZBKKZWHQUBI-HZPDHXFCSA-N 2 2 293.455 3.093 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000070100520 165055911 /nfs/dbraw/zinc/05/59/11/165055911.db2.gz FSDSHRTYQMYECR-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000070100520 165055913 /nfs/dbraw/zinc/05/59/13/165055913.db2.gz FSDSHRTYQMYECR-PBHICJAKSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)s1 ZINC000070143438 165059281 /nfs/dbraw/zinc/05/92/81/165059281.db2.gz NGCOVSPREKMMMH-NSHDSACASA-N 2 2 292.452 3.015 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000072973006 165076057 /nfs/dbraw/zinc/07/60/57/165076057.db2.gz RAQXWHGQNUZJIP-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093693778 287118889 /nfs/dbraw/zinc/11/88/89/287118889.db2.gz GCUKPQMQFLICKO-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000093693778 287118891 /nfs/dbraw/zinc/11/88/91/287118891.db2.gz GCUKPQMQFLICKO-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C[N@@H+]1C1CC1 ZINC000122293795 287208451 /nfs/dbraw/zinc/20/84/51/287208451.db2.gz VAVZJNDKUMBZFL-GXTWGEPZSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C[N@H+]1C1CC1 ZINC000122293795 287208453 /nfs/dbraw/zinc/20/84/53/287208453.db2.gz VAVZJNDKUMBZFL-GXTWGEPZSA-N 2 2 250.430 3.170 20 0 CGADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000284335989 196032358 /nfs/dbraw/zinc/03/23/58/196032358.db2.gz MOOMFAPYUVCSHH-IAOVAPTHSA-N 2 2 290.451 3.117 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000125076289 287239622 /nfs/dbraw/zinc/23/96/22/287239622.db2.gz YSPGVYUQEUMFQY-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000020126959 171011734 /nfs/dbraw/zinc/01/17/34/171011734.db2.gz VXIJXNBDHWUPQY-LBPRGKRZSA-N 2 2 252.789 3.086 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020141429 171027490 /nfs/dbraw/zinc/02/74/90/171027490.db2.gz LTIXISISRBNOKW-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000020189860 171056715 /nfs/dbraw/zinc/05/67/15/171056715.db2.gz PDGFRBCXOVINDL-GFCCVEGCSA-N 2 2 282.378 3.490 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)c1 ZINC000020506208 171228445 /nfs/dbraw/zinc/22/84/45/171228445.db2.gz PYZPEXCOELOUMR-OAHLLOKOSA-N 2 2 257.381 3.241 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)[NH+](C)C ZINC000126521785 287266774 /nfs/dbraw/zinc/26/67/74/287266774.db2.gz GJRQXJLLXJVOPD-IAGOWNOFSA-N 2 2 294.870 3.373 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285381908 196267468 /nfs/dbraw/zinc/26/74/68/196267468.db2.gz CVPBXDISBZKSME-YIONKMFJSA-N 2 2 278.827 3.397 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285381908 196267469 /nfs/dbraw/zinc/26/74/69/196267469.db2.gz CVPBXDISBZKSME-YIONKMFJSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285381908 196267471 /nfs/dbraw/zinc/26/74/71/196267471.db2.gz CVPBXDISBZKSME-YIONKMFJSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285381908 196267473 /nfs/dbraw/zinc/26/74/73/196267473.db2.gz CVPBXDISBZKSME-YIONKMFJSA-N 2 2 278.827 3.397 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631797 196350292 /nfs/dbraw/zinc/35/02/92/196350292.db2.gz AGYKNDCCYUKOPH-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000285631797 196350294 /nfs/dbraw/zinc/35/02/94/196350294.db2.gz AGYKNDCCYUKOPH-BLLLJJGKSA-N 2 2 270.376 3.005 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1F ZINC000037228329 173047759 /nfs/dbraw/zinc/04/77/59/173047759.db2.gz XFWHGUNEEQRATK-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1F ZINC000037228329 173047760 /nfs/dbraw/zinc/04/77/60/173047760.db2.gz XFWHGUNEEQRATK-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000043324641 175006764 /nfs/dbraw/zinc/00/67/64/175006764.db2.gz POPZFCWHSHRVMV-KOLCDFICSA-N 2 2 273.207 3.396 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000043326262 175007635 /nfs/dbraw/zinc/00/76/35/175007635.db2.gz JPRJLXZSFITNIL-ZIAGYGMSSA-N 2 2 297.240 3.242 20 0 CGADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326191 175007651 /nfs/dbraw/zinc/00/76/51/175007651.db2.gz NZIAHGQEHIZXKB-GJZGRUSLSA-N 2 2 266.816 3.379 20 0 CGADLP Fc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(F)c1F ZINC000062705833 175672004 /nfs/dbraw/zinc/67/20/04/175672004.db2.gz XCNUPETWBSOXRQ-UHFFFAOYSA-N 2 2 286.341 3.070 20 0 CGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000071142440 176040261 /nfs/dbraw/zinc/04/02/61/176040261.db2.gz DVSHCRKNXKJATH-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000071142440 176040262 /nfs/dbraw/zinc/04/02/62/176040262.db2.gz DVSHCRKNXKJATH-SNVBAGLBSA-N 2 2 273.207 3.035 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@@H]3CCC[N@H+]3C)CCCC2)n1 ZINC000129114192 287324495 /nfs/dbraw/zinc/32/44/95/287324495.db2.gz VAMCTGYZHIORHW-AWEZNQCLSA-N 2 2 293.480 3.295 20 0 CGADLP Cc1csc(C2([NH2+]CC[C@@H]3CCC[N@@H+]3C)CCCC2)n1 ZINC000129114192 287324498 /nfs/dbraw/zinc/32/44/98/287324498.db2.gz VAMCTGYZHIORHW-AWEZNQCLSA-N 2 2 293.480 3.295 20 0 CGADLP C(=C\[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000679546481 543646466 /nfs/dbraw/zinc/64/64/66/543646466.db2.gz ZIGKQRSUXFCPJP-HJCTWCACSA-N 2 2 281.403 3.451 20 0 CGADLP C(=C\[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000679546481 543646470 /nfs/dbraw/zinc/64/64/70/543646470.db2.gz ZIGKQRSUXFCPJP-HJCTWCACSA-N 2 2 281.403 3.451 20 0 CGADLP C[N@@H+](CCOC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328714 543697530 /nfs/dbraw/zinc/69/75/30/543697530.db2.gz LFRMLPMWRRMXCL-UHFFFAOYSA-N 2 2 293.436 3.181 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000679840836 543664166 /nfs/dbraw/zinc/66/41/66/543664166.db2.gz NYXLGMGNRJJUHC-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP CCC(CC)(CC)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000679840836 543664169 /nfs/dbraw/zinc/66/41/69/543664169.db2.gz NYXLGMGNRJJUHC-HNNXBMFYSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679985656 543672576 /nfs/dbraw/zinc/67/25/76/543672576.db2.gz GRRLISFFXVTOGY-DZGCQCFKSA-N 2 2 275.421 3.213 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000679985656 543672578 /nfs/dbraw/zinc/67/25/78/543672578.db2.gz GRRLISFFXVTOGY-DZGCQCFKSA-N 2 2 275.421 3.213 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000679989073 543672934 /nfs/dbraw/zinc/67/29/34/543672934.db2.gz OQRQVIHSBPQPDJ-HIFRSBDPSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000679989073 543672937 /nfs/dbraw/zinc/67/29/37/543672937.db2.gz OQRQVIHSBPQPDJ-HIFRSBDPSA-N 2 2 278.465 3.023 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C[N@H+]1C1CC1 ZINC000130449185 287355932 /nfs/dbraw/zinc/35/59/32/287355932.db2.gz FXWPUDHEJJAVHR-ZYHUDNBSSA-N 2 2 282.790 3.194 20 0 CGADLP c1ccc([C@H]2CC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000130409931 287354287 /nfs/dbraw/zinc/35/42/87/287354287.db2.gz TYGPHNDRIDRHHX-ROUUACIJSA-N 2 2 272.436 3.398 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000681398024 543786684 /nfs/dbraw/zinc/78/66/84/543786684.db2.gz AITXQBWMEQIQGD-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000681398024 543786686 /nfs/dbraw/zinc/78/66/86/543786686.db2.gz AITXQBWMEQIQGD-MRXNPFEDSA-N 2 2 258.409 3.136 20 0 CGADLP Cc1cccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000681208713 543773579 /nfs/dbraw/zinc/77/35/79/543773579.db2.gz HNQSVBSUXIFSMY-KRWDZBQOSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000681208713 543773582 /nfs/dbraw/zinc/77/35/82/543773582.db2.gz HNQSVBSUXIFSMY-KRWDZBQOSA-N 2 2 281.403 3.101 20 0 CGADLP c1[nH]cc(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)[nH+]1 ZINC000682072368 543821280 /nfs/dbraw/zinc/82/12/80/543821280.db2.gz MDTIXUXZYOXTEX-QGZVFWFLSA-N 2 2 267.376 3.277 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000131023143 287368644 /nfs/dbraw/zinc/36/86/44/287368644.db2.gz QHSMXWALXTVEQG-RRFJBIMHSA-N 2 2 290.451 3.260 20 0 CGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000131023143 287368647 /nfs/dbraw/zinc/36/86/47/287368647.db2.gz QHSMXWALXTVEQG-RRFJBIMHSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000682672566 543858185 /nfs/dbraw/zinc/85/81/85/543858185.db2.gz DUJJFIVNBKXIIB-QGZVFWFLSA-N 2 2 298.434 3.066 20 0 CGADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCCc3c2cnn3C)c[nH+]1 ZINC000682672566 543858187 /nfs/dbraw/zinc/85/81/87/543858187.db2.gz DUJJFIVNBKXIIB-QGZVFWFLSA-N 2 2 298.434 3.066 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cscc2Cl)CC1 ZINC000683357872 543910500 /nfs/dbraw/zinc/91/05/00/543910500.db2.gz MFZVYBFKRQWLLJ-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cscc2Cl)CC1 ZINC000683357872 543910503 /nfs/dbraw/zinc/91/05/03/543910503.db2.gz MFZVYBFKRQWLLJ-GFCCVEGCSA-N 2 2 272.845 3.318 20 0 CGADLP Cc1cccn2cc(CC[NH2+]C3CCC4(CC4)CC3)[nH+]c12 ZINC000683080124 543894165 /nfs/dbraw/zinc/89/41/65/543894165.db2.gz YVOFMBDJGIRBPI-UHFFFAOYSA-N 2 2 283.419 3.498 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cnccc2c1 ZINC000683831615 543946643 /nfs/dbraw/zinc/94/66/43/543946643.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cnccc2c1 ZINC000683831615 543946645 /nfs/dbraw/zinc/94/66/45/543946645.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cnccc2c1 ZINC000683831615 543946648 /nfs/dbraw/zinc/94/66/48/543946648.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cnccc2c1 ZINC000683831615 543946651 /nfs/dbraw/zinc/94/66/51/543946651.db2.gz BFLUEIZSLOYILA-MOPGFXCFSA-N 2 2 295.430 3.293 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000684620894 544020892 /nfs/dbraw/zinc/02/08/92/544020892.db2.gz NSXVZNMJPSFTRZ-INIZCTEOSA-N 2 2 299.418 3.161 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000684374712 543988747 /nfs/dbraw/zinc/98/87/47/543988747.db2.gz UKLRWABRNPCFNK-KSZLIROESA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)nc1 ZINC000684407307 543994815 /nfs/dbraw/zinc/99/48/15/543994815.db2.gz RREFFVVRLPBOOF-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)nc1 ZINC000684407307 543994818 /nfs/dbraw/zinc/99/48/18/543994818.db2.gz RREFFVVRLPBOOF-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449043 544072115 /nfs/dbraw/zinc/07/21/15/544072115.db2.gz SNDOXMKUWRYXBF-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)(C)C ZINC000685449043 544072117 /nfs/dbraw/zinc/07/21/17/544072117.db2.gz SNDOXMKUWRYXBF-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458586 544073559 /nfs/dbraw/zinc/07/35/59/544073559.db2.gz YEXVYKSTDWFAKM-OALUTQOASA-N 2 2 284.447 3.277 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000685458586 544073561 /nfs/dbraw/zinc/07/35/61/544073561.db2.gz YEXVYKSTDWFAKM-OALUTQOASA-N 2 2 284.447 3.277 20 0 CGADLP CC1CC([NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000685468098 544076712 /nfs/dbraw/zinc/07/67/12/544076712.db2.gz JCTNZCIRPLIEQU-OWDOZIACSA-N 2 2 281.403 3.500 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cscc1Cl ZINC000685470376 544077975 /nfs/dbraw/zinc/07/79/75/544077975.db2.gz JDDZHERVQLCRTG-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cscc1Cl ZINC000685470376 544077978 /nfs/dbraw/zinc/07/79/78/544077978.db2.gz JDDZHERVQLCRTG-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cscc1Cl ZINC000685470376 544077982 /nfs/dbraw/zinc/07/79/82/544077982.db2.gz JDDZHERVQLCRTG-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cscc1Cl ZINC000685470376 544077985 /nfs/dbraw/zinc/07/79/85/544077985.db2.gz JDDZHERVQLCRTG-GXFFZTMASA-N 2 2 272.845 3.174 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470732 544078021 /nfs/dbraw/zinc/07/80/21/544078021.db2.gz NHKXJVNYBKZXBU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470732 544078022 /nfs/dbraw/zinc/07/80/22/544078022.db2.gz NHKXJVNYBKZXBU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470732 544078026 /nfs/dbraw/zinc/07/80/26/544078026.db2.gz NHKXJVNYBKZXBU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470732 544078029 /nfs/dbraw/zinc/07/80/29/544078029.db2.gz NHKXJVNYBKZXBU-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000653777251 419083425 /nfs/dbraw/zinc/08/34/25/419083425.db2.gz YPXAKCQMGCMXQJ-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000653777251 419083429 /nfs/dbraw/zinc/08/34/29/419083429.db2.gz YPXAKCQMGCMXQJ-MRXNPFEDSA-N 2 2 261.413 3.007 20 0 CGADLP c1c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)onc1C1CC1 ZINC000660149503 419088054 /nfs/dbraw/zinc/08/80/54/419088054.db2.gz YPVZYKMWHHSODC-UHFFFAOYSA-N 2 2 298.390 3.024 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000665241765 419088788 /nfs/dbraw/zinc/08/87/88/419088788.db2.gz YLMWDFHQVPIHJM-MAZHCROVSA-N 2 2 264.388 3.253 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)o1 ZINC000665250482 419091624 /nfs/dbraw/zinc/09/16/24/419091624.db2.gz SFRGEDQYZREKLI-USXIJHARSA-N 2 2 284.403 3.384 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccncc1 ZINC000665252213 419093904 /nfs/dbraw/zinc/09/39/04/419093904.db2.gz KBRVYWOBULXGRY-CEXWTWQISA-N 2 2 295.430 3.268 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254571 419094143 /nfs/dbraw/zinc/09/41/43/419094143.db2.gz UCWFAIYQJRQINF-WBQNTZJQSA-N 2 2 276.399 3.049 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000655792395 419099673 /nfs/dbraw/zinc/09/96/73/419099673.db2.gz NEKKNHPUUOPZEO-UHFFFAOYSA-N 2 2 289.810 3.070 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000665295557 419108558 /nfs/dbraw/zinc/10/85/58/419108558.db2.gz FVUVIKSKSPHPSE-WBMJQRKESA-N 2 2 260.381 3.327 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000665295638 419109343 /nfs/dbraw/zinc/10/93/43/419109343.db2.gz GVDIECYRJFDLPZ-UWVGGRQHSA-N 2 2 295.477 3.439 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000665297719 419110004 /nfs/dbraw/zinc/11/00/04/419110004.db2.gz KGBUCOVPYFXRNW-YJBOKZPZSA-N 2 2 268.404 3.282 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848251 419118686 /nfs/dbraw/zinc/11/86/86/419118686.db2.gz CGFBBDIFODSNSS-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848251 419118689 /nfs/dbraw/zinc/11/86/89/419118689.db2.gz CGFBBDIFODSNSS-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848954 419120569 /nfs/dbraw/zinc/12/05/69/419120569.db2.gz MKEXCJZVDKYWLZ-QLOLRVAOSA-N 2 2 292.467 3.085 20 0 CGADLP C1COC2(C1)CCC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848954 419120573 /nfs/dbraw/zinc/12/05/73/419120573.db2.gz MKEXCJZVDKYWLZ-QLOLRVAOSA-N 2 2 292.467 3.085 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655682710 419063479 /nfs/dbraw/zinc/06/34/79/419063479.db2.gz ITAFDSUXZIABSV-GXTWGEPZSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)CS1 ZINC000655690381 419066581 /nfs/dbraw/zinc/06/65/81/419066581.db2.gz NCQNDKIRISWWTC-VNQPRFMTSA-N 2 2 278.465 3.163 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000655941428 419129608 /nfs/dbraw/zinc/12/96/08/419129608.db2.gz TZAILXVHZWSTNB-RDJZCZTQSA-N 2 2 288.435 3.002 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000655941428 419129611 /nfs/dbraw/zinc/12/96/11/419129611.db2.gz TZAILXVHZWSTNB-RDJZCZTQSA-N 2 2 288.435 3.002 20 0 CGADLP CC(C)[C@H]1c2ccccc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000656458467 419173649 /nfs/dbraw/zinc/17/36/49/419173649.db2.gz CZHDFFHYHFLLQI-SFHVURJKSA-N 2 2 283.419 3.218 20 0 CGADLP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000656458467 419173653 /nfs/dbraw/zinc/17/36/53/419173653.db2.gz CZHDFFHYHFLLQI-SFHVURJKSA-N 2 2 283.419 3.218 20 0 CGADLP Clc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000656603231 419185657 /nfs/dbraw/zinc/18/56/57/419185657.db2.gz PAPGPTQNNBJSAU-UHFFFAOYSA-N 2 2 289.810 3.205 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000655941008 419128864 /nfs/dbraw/zinc/12/88/64/419128864.db2.gz KGNQARCACYXNBS-SUNYJGFJSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)n1cc[nH+]c1CNC[C@H](C1CCCCC1)[NH+](C)C ZINC000657312098 419248218 /nfs/dbraw/zinc/24/82/18/419248218.db2.gz BUGOMFCUFAYCRY-MRXNPFEDSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000661373441 419253913 /nfs/dbraw/zinc/25/39/13/419253913.db2.gz JVRSZYZYPWADDO-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP CC(C)c1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000661373441 419253914 /nfs/dbraw/zinc/25/39/14/419253914.db2.gz JVRSZYZYPWADDO-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657358803 419259701 /nfs/dbraw/zinc/25/97/01/419259701.db2.gz OCOCBWTYRNIKAX-HNNXBMFYSA-N 2 2 283.419 3.167 20 0 CGADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(F)c1 ZINC000657364798 419260126 /nfs/dbraw/zinc/26/01/26/419260126.db2.gz QVFFXHZRAHRRMZ-UHFFFAOYSA-N 2 2 287.382 3.036 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)n1C ZINC000657363926 419260182 /nfs/dbraw/zinc/26/01/82/419260182.db2.gz DMXFHDSHIIEHGY-SECBINFHSA-N 2 2 281.762 3.372 20 0 CGADLP CCCCOc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788835 419221298 /nfs/dbraw/zinc/22/12/98/419221298.db2.gz DFZREUIXEPGEBR-UHFFFAOYSA-N 2 2 276.424 3.227 20 0 CGADLP Fc1ccccc1[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657454216 419282116 /nfs/dbraw/zinc/28/21/16/419282116.db2.gz GHWFBEIBEIKAAQ-JOCQHMNTSA-N 2 2 285.366 3.004 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccccc3F)CCC2)n1C ZINC000657498443 419294555 /nfs/dbraw/zinc/29/45/55/419294555.db2.gz HGRNWSYIXQWNGR-UHFFFAOYSA-N 2 2 273.355 3.037 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CC2CCC1CC2 ZINC000657503436 419296540 /nfs/dbraw/zinc/29/65/40/419296540.db2.gz ITARNIHUCNXNEJ-WOICTCIZSA-N 2 2 273.424 3.134 20 0 CGADLP Cc1sccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526148 419297043 /nfs/dbraw/zinc/29/70/43/419297043.db2.gz BAYBECPNNGKTJA-ZDUSSCGKSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1sccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526148 419297046 /nfs/dbraw/zinc/29/70/46/419297046.db2.gz BAYBECPNNGKTJA-ZDUSSCGKSA-N 2 2 252.427 3.019 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000657525618 419298022 /nfs/dbraw/zinc/29/80/22/419298022.db2.gz UIVWCOVUULAMNM-AWEZNQCLSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000657525618 419298023 /nfs/dbraw/zinc/29/80/23/419298023.db2.gz UIVWCOVUULAMNM-AWEZNQCLSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000657526875 419299062 /nfs/dbraw/zinc/29/90/62/419299062.db2.gz OAIXOMXDJFILIM-GFCCVEGCSA-N 2 2 260.372 3.027 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000657526875 419299065 /nfs/dbraw/zinc/29/90/65/419299065.db2.gz OAIXOMXDJFILIM-GFCCVEGCSA-N 2 2 260.372 3.027 20 0 CGADLP CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657560885 419305117 /nfs/dbraw/zinc/30/51/17/419305117.db2.gz KTNHKOWKRDYBSO-KRWDZBQOSA-N 2 2 299.418 3.167 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000418075253 228009086 /nfs/dbraw/zinc/00/90/86/228009086.db2.gz DNRZVOJZUBRARU-UHFFFAOYSA-N 2 2 295.390 3.318 20 0 CGADLP CC1(C)C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc21 ZINC000657403015 419271348 /nfs/dbraw/zinc/27/13/48/419271348.db2.gz OJUUGTFYDXAEDH-INIZCTEOSA-N 2 2 281.403 3.342 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CC2(F)F)n1-c1ccccc1 ZINC000657663390 419322528 /nfs/dbraw/zinc/32/25/28/419322528.db2.gz CFLVUFKRGQPJOY-HNNXBMFYSA-N 2 2 291.345 3.316 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000657742163 419336132 /nfs/dbraw/zinc/33/61/32/419336132.db2.gz MZKFINJHHITUPH-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000657742163 419336133 /nfs/dbraw/zinc/33/61/33/419336133.db2.gz MZKFINJHHITUPH-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000657757905 419337417 /nfs/dbraw/zinc/33/74/17/419337417.db2.gz XITNOGMHUMJOSN-HNNXBMFYSA-N 2 2 275.421 3.458 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000662277811 419382058 /nfs/dbraw/zinc/38/20/58/419382058.db2.gz XNFUAEYLBCIWCO-SWLSCSKDSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1cccc(SCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000662277811 419382062 /nfs/dbraw/zinc/38/20/62/419382062.db2.gz XNFUAEYLBCIWCO-SWLSCSKDSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000662277808 419382964 /nfs/dbraw/zinc/38/29/64/419382964.db2.gz XNFUAEYLBCIWCO-IUODEOHRSA-N 2 2 296.867 3.116 20 0 CGADLP Clc1cccc(SCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000662277808 419382969 /nfs/dbraw/zinc/38/29/69/419382969.db2.gz XNFUAEYLBCIWCO-IUODEOHRSA-N 2 2 296.867 3.116 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992363 419481182 /nfs/dbraw/zinc/48/11/82/419481182.db2.gz IBFDOMSBCNULQG-YPMHNXCESA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992363 419481189 /nfs/dbraw/zinc/48/11/89/419481189.db2.gz IBFDOMSBCNULQG-YPMHNXCESA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000657897378 419424399 /nfs/dbraw/zinc/42/43/99/419424399.db2.gz SZUBFGQEJMBTIN-GDBMZVCRSA-N 2 2 297.402 3.235 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902491 419425841 /nfs/dbraw/zinc/42/58/41/419425841.db2.gz MSMNFWWOVDFZHJ-GVXVVHGQSA-N 2 2 295.377 3.295 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657902491 419425851 /nfs/dbraw/zinc/42/58/51/419425851.db2.gz MSMNFWWOVDFZHJ-GVXVVHGQSA-N 2 2 295.377 3.295 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000658054302 419522642 /nfs/dbraw/zinc/52/26/42/419522642.db2.gz DCBDLZJYZRAPRF-JKSUJKDBSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000658054302 419522649 /nfs/dbraw/zinc/52/26/49/419522649.db2.gz DCBDLZJYZRAPRF-JKSUJKDBSA-N 2 2 292.854 3.270 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658054632 419524346 /nfs/dbraw/zinc/52/43/46/419524346.db2.gz FRHBUKGLYIIHID-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658054632 419524353 /nfs/dbraw/zinc/52/43/53/419524353.db2.gz FRHBUKGLYIIHID-RDJZCZTQSA-N 2 2 272.436 3.445 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057958 419526685 /nfs/dbraw/zinc/52/66/85/419526685.db2.gz QKUZFJAVIIEVEY-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057958 419526697 /nfs/dbraw/zinc/52/66/97/419526697.db2.gz QKUZFJAVIIEVEY-KBPBESRZSA-N 2 2 264.413 3.063 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000658059375 419530431 /nfs/dbraw/zinc/53/04/31/419530431.db2.gz ICWRDGZIDUGUAN-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000658059375 419530438 /nfs/dbraw/zinc/53/04/38/419530438.db2.gz ICWRDGZIDUGUAN-ZIAGYGMSSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000658089927 419561746 /nfs/dbraw/zinc/56/17/46/419561746.db2.gz CDHRQDSUPJQFTI-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000658089927 419561756 /nfs/dbraw/zinc/56/17/56/419561756.db2.gz CDHRQDSUPJQFTI-MRXNPFEDSA-N 2 2 294.483 3.188 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000663514900 419638880 /nfs/dbraw/zinc/63/88/80/419638880.db2.gz VPELEFQGPBIBFA-OAHLLOKOSA-N 2 2 298.430 3.368 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658095025 419569727 /nfs/dbraw/zinc/56/97/27/419569727.db2.gz DIKGYIXAUPDNRA-RHSMWYFYSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000658095025 419569736 /nfs/dbraw/zinc/56/97/36/419569736.db2.gz DIKGYIXAUPDNRA-RHSMWYFYSA-N 2 2 287.451 3.396 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094323 419569967 /nfs/dbraw/zinc/56/99/67/419569967.db2.gz YHIXXXHMABGTMZ-STQMWFEESA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094323 419569974 /nfs/dbraw/zinc/56/99/74/419569974.db2.gz YHIXXXHMABGTMZ-STQMWFEESA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658097180 419575544 /nfs/dbraw/zinc/57/55/44/419575544.db2.gz VQFRJZVWGWYWBA-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658097180 419575550 /nfs/dbraw/zinc/57/55/50/419575550.db2.gz VQFRJZVWGWYWBA-KBPBESRZSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+]1CCCCC1 ZINC000663403802 419593748 /nfs/dbraw/zinc/59/37/48/419593748.db2.gz PVTJPYNRWLTGKQ-AWEZNQCLSA-N 2 2 298.434 3.351 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286499 419731844 /nfs/dbraw/zinc/73/18/44/419731844.db2.gz TWWDSEVGTJAMFR-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)C1 ZINC000658286499 419731851 /nfs/dbraw/zinc/73/18/51/419731851.db2.gz TWWDSEVGTJAMFR-ZQDZILKHSA-N 2 2 278.465 3.314 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286222 419732564 /nfs/dbraw/zinc/73/25/64/419732564.db2.gz QGRFXGRXCXFROD-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000658286222 419732567 /nfs/dbraw/zinc/73/25/67/419732567.db2.gz QGRFXGRXCXFROD-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294584 419742603 /nfs/dbraw/zinc/74/26/03/419742603.db2.gz NRKXPJYZCAIXAM-XIRDDKMYSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)(C)c1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138161 419838326 /nfs/dbraw/zinc/83/83/26/419838326.db2.gz JYEGVKHDWUYMML-CYBMUJFWSA-N 2 2 290.455 3.306 20 0 CGADLP CC(C)(C)c1nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138161 419838331 /nfs/dbraw/zinc/83/83/31/419838331.db2.gz JYEGVKHDWUYMML-CYBMUJFWSA-N 2 2 290.455 3.306 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272840206 263009261 /nfs/dbraw/zinc/00/92/61/263009261.db2.gz IKKJHZIIWFPAMD-UHFFFAOYSA-N 2 2 299.422 3.061 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036842678 270028308 /nfs/dbraw/zinc/02/83/08/270028308.db2.gz KJEFUIDIBRAJKA-ABHNRTSZSA-N 2 2 272.436 3.315 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000036842678 270028309 /nfs/dbraw/zinc/02/83/09/270028309.db2.gz KJEFUIDIBRAJKA-ABHNRTSZSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000037236896 270029252 /nfs/dbraw/zinc/02/92/52/270029252.db2.gz IQRWSKDWMFZRIQ-ZDUSSCGKSA-N 2 2 294.414 3.359 20 0 CGADLP CC(C)Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064010 270030588 /nfs/dbraw/zinc/03/05/88/270030588.db2.gz OZXDAXAFIWZNJE-OAHLLOKOSA-N 2 2 271.408 3.432 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684048 270037362 /nfs/dbraw/zinc/03/73/62/270037362.db2.gz KIOJMXGJCLABQY-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684048 270037363 /nfs/dbraw/zinc/03/73/63/270037363.db2.gz KIOJMXGJCLABQY-INIZCTEOSA-N 2 2 258.409 3.136 20 0 CGADLP Fc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1Cl ZINC000045106452 270038081 /nfs/dbraw/zinc/03/80/81/270038081.db2.gz HGGPCIAEGHTNJV-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000186574470 270066481 /nfs/dbraw/zinc/06/64/81/270066481.db2.gz INUXQQHCMUDZJV-IAGOWNOFSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000186574470 270066482 /nfs/dbraw/zinc/06/64/82/270066482.db2.gz INUXQQHCMUDZJV-IAGOWNOFSA-N 2 2 292.492 3.238 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000187746520 270069167 /nfs/dbraw/zinc/06/91/67/270069167.db2.gz YYJSTJOHOMARNQ-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1 ZINC000187746520 270069168 /nfs/dbraw/zinc/06/91/68/270069168.db2.gz YYJSTJOHOMARNQ-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000192788175 270077818 /nfs/dbraw/zinc/07/78/18/270077818.db2.gz PURLSCQRUQRNBL-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000192788175 270077819 /nfs/dbraw/zinc/07/78/19/270077819.db2.gz PURLSCQRUQRNBL-UHFFFAOYSA-N 2 2 255.365 3.247 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000250395312 270091392 /nfs/dbraw/zinc/09/13/92/270091392.db2.gz YMOBZXLPPVDXAC-NVXWUHKLSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000250395312 270091393 /nfs/dbraw/zinc/09/13/93/270091393.db2.gz YMOBZXLPPVDXAC-NVXWUHKLSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(Cl)c1 ZINC000521055154 270100106 /nfs/dbraw/zinc/10/01/06/270100106.db2.gz XUACIHICNVNPJN-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(Cl)c1 ZINC000521055154 270100107 /nfs/dbraw/zinc/10/01/07/270100107.db2.gz XUACIHICNVNPJN-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(Cl)c1 ZINC000521055154 270100108 /nfs/dbraw/zinc/10/01/08/270100108.db2.gz XUACIHICNVNPJN-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(Cl)c1 ZINC000521055154 270100109 /nfs/dbraw/zinc/10/01/09/270100109.db2.gz XUACIHICNVNPJN-CZUORRHYSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000527098608 270125203 /nfs/dbraw/zinc/12/52/03/270125203.db2.gz WPMQNCGCCJZXIA-BHIYHBOVSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000527098608 270125204 /nfs/dbraw/zinc/12/52/04/270125204.db2.gz WPMQNCGCCJZXIA-BHIYHBOVSA-N 2 2 286.463 3.329 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000527673122 270131137 /nfs/dbraw/zinc/13/11/37/270131137.db2.gz MSHQDHBWIOZFEY-CHWSQXEVSA-N 2 2 276.415 3.376 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000527673122 270131138 /nfs/dbraw/zinc/13/11/38/270131138.db2.gz MSHQDHBWIOZFEY-CHWSQXEVSA-N 2 2 276.415 3.376 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000527739455 270133358 /nfs/dbraw/zinc/13/33/58/270133358.db2.gz NIAZQRKGXXNBPW-QLFBSQMISA-N 2 2 269.392 3.169 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527750566 270134422 /nfs/dbraw/zinc/13/44/22/270134422.db2.gz ACTOIZOIVHAFBY-NXHRZFHOSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527750566 270134423 /nfs/dbraw/zinc/13/44/23/270134423.db2.gz ACTOIZOIVHAFBY-NXHRZFHOSA-N 2 2 294.483 3.187 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527804738 270137058 /nfs/dbraw/zinc/13/70/58/270137058.db2.gz APDGGYGOYGLHQZ-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527804738 270137059 /nfs/dbraw/zinc/13/70/59/270137059.db2.gz APDGGYGOYGLHQZ-INIZCTEOSA-N 2 2 276.399 3.241 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527807172 270137201 /nfs/dbraw/zinc/13/72/01/270137201.db2.gz NDCHLIMPFADZQO-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527807172 270137202 /nfs/dbraw/zinc/13/72/02/270137202.db2.gz NDCHLIMPFADZQO-QGZVFWFLSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527811817 270137993 /nfs/dbraw/zinc/13/79/93/270137993.db2.gz SLCMODKCXBXXOJ-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527811817 270137994 /nfs/dbraw/zinc/13/79/94/270137994.db2.gz SLCMODKCXBXXOJ-HNNXBMFYSA-N 2 2 264.438 3.163 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527865841 270140631 /nfs/dbraw/zinc/14/06/31/270140631.db2.gz VLCVUHGZBKJWIR-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527865841 270140632 /nfs/dbraw/zinc/14/06/32/270140632.db2.gz VLCVUHGZBKJWIR-LJISPDSOSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527829994 270138556 /nfs/dbraw/zinc/13/85/56/270138556.db2.gz LWAAFSYHDCHWQX-INIZCTEOSA-N 2 2 299.418 3.004 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000527829994 270138557 /nfs/dbraw/zinc/13/85/57/270138557.db2.gz LWAAFSYHDCHWQX-INIZCTEOSA-N 2 2 299.418 3.004 20 0 CGADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954155 270146807 /nfs/dbraw/zinc/14/68/07/270146807.db2.gz YTVYZROEWWQBTA-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527954155 270146808 /nfs/dbraw/zinc/14/68/08/270146808.db2.gz YTVYZROEWWQBTA-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528001618 270150025 /nfs/dbraw/zinc/15/00/25/270150025.db2.gz MKSDTFVULUJBSK-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528001618 270150026 /nfs/dbraw/zinc/15/00/26/270150026.db2.gz MKSDTFVULUJBSK-BBRMVZONSA-N 2 2 250.430 3.172 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008415 270151314 /nfs/dbraw/zinc/15/13/14/270151314.db2.gz DQYQWLOBZAJWFW-RHSMWYFYSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008415 270151315 /nfs/dbraw/zinc/15/13/15/270151315.db2.gz DQYQWLOBZAJWFW-RHSMWYFYSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014265 270151387 /nfs/dbraw/zinc/15/13/87/270151387.db2.gz UIQQFGZBNIJDRD-ZBFHGGJFSA-N 2 2 273.424 3.058 20 0 CGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014265 270151388 /nfs/dbraw/zinc/15/13/88/270151388.db2.gz UIQQFGZBNIJDRD-ZBFHGGJFSA-N 2 2 273.424 3.058 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+](CCC2=CCCCC2)CC1 ZINC000528727897 270170365 /nfs/dbraw/zinc/17/03/65/270170365.db2.gz INZVNEIVEHMIPK-UHFFFAOYSA-N 2 2 292.467 3.064 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528759279 270171251 /nfs/dbraw/zinc/17/12/51/270171251.db2.gz NMQZEXCKBCVEKT-XSWJXKHESA-N 2 2 299.418 3.082 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528759274 270171276 /nfs/dbraw/zinc/17/12/76/270171276.db2.gz NMQZEXCKBCVEKT-BSXFFOKHSA-N 2 2 299.418 3.082 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+]1CCCC[C@@H]1C ZINC000529536311 270183219 /nfs/dbraw/zinc/18/32/19/270183219.db2.gz YKGSZNSIQRGSTF-AVGNSLFASA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+]1CCCC[C@@H]1C ZINC000529536311 270183220 /nfs/dbraw/zinc/18/32/20/270183220.db2.gz YKGSZNSIQRGSTF-AVGNSLFASA-N 2 2 274.399 3.273 20 0 CGADLP COCCC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000529637569 270186419 /nfs/dbraw/zinc/18/64/19/270186419.db2.gz FTTZBLODVZGOQE-UHFFFAOYSA-N 2 2 276.424 3.071 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555454 270184765 /nfs/dbraw/zinc/18/47/65/270184765.db2.gz QPSIVMYGXDHRDI-BXUZGUMPSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555454 270184766 /nfs/dbraw/zinc/18/47/66/270184766.db2.gz QPSIVMYGXDHRDI-BXUZGUMPSA-N 2 2 272.383 3.027 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCC2)o1 ZINC000530216112 270195718 /nfs/dbraw/zinc/19/57/18/270195718.db2.gz MONXCXBVNDLLIX-JKSUJKDBSA-N 2 2 274.408 3.303 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217349 270196082 /nfs/dbraw/zinc/19/60/82/270196082.db2.gz GCZWQEKWLBNTEE-GJZGRUSLSA-N 2 2 262.372 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ncccc1F ZINC000530222381 270196680 /nfs/dbraw/zinc/19/66/80/270196680.db2.gz JRFZAEITMLDEIY-YSVLISHTSA-N 2 2 299.393 3.365 20 0 CGADLP FC(F)(F)c1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000530233603 270196849 /nfs/dbraw/zinc/19/68/49/270196849.db2.gz YLRBBSHYOHPBFW-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000530233603 270196850 /nfs/dbraw/zinc/19/68/50/270196850.db2.gz YLRBBSHYOHPBFW-LBPRGKRZSA-N 2 2 298.352 3.063 20 0 CGADLP C[C@@]1(C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CC[NH2+]C1 ZINC000530245453 270197206 /nfs/dbraw/zinc/19/72/06/270197206.db2.gz XVJHUMJOROYBIY-OAHLLOKOSA-N 2 2 298.352 3.063 20 0 CGADLP C[C@@]1(C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC[NH2+]C1 ZINC000530245453 270197207 /nfs/dbraw/zinc/19/72/07/270197207.db2.gz XVJHUMJOROYBIY-OAHLLOKOSA-N 2 2 298.352 3.063 20 0 CGADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531737026 270209064 /nfs/dbraw/zinc/20/90/64/270209064.db2.gz DVBMXCWEBOWAQM-HUUCEWRRSA-N 2 2 270.486 3.148 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000531738821 270209294 /nfs/dbraw/zinc/20/92/94/270209294.db2.gz YDKCIVZHGNDJTL-NFAWXSAZSA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Oc1ccccc1Cl ZINC000531738821 270209295 /nfs/dbraw/zinc/20/92/95/270209295.db2.gz YDKCIVZHGNDJTL-NFAWXSAZSA-N 2 2 296.842 3.037 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937936 270210850 /nfs/dbraw/zinc/21/08/50/270210850.db2.gz WVBVAWIHGKWEBL-RHSMWYFYSA-N 2 2 290.426 3.177 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937936 270210851 /nfs/dbraw/zinc/21/08/51/270210851.db2.gz WVBVAWIHGKWEBL-RHSMWYFYSA-N 2 2 290.426 3.177 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[NH+](C)C ZINC000531790001 270209828 /nfs/dbraw/zinc/20/98/28/270209828.db2.gz GMUNCCUPYLOUIW-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937938 270210991 /nfs/dbraw/zinc/21/09/91/270210991.db2.gz WVBVAWIHGKWEBL-YOEHRIQHSA-N 2 2 290.426 3.177 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000531937938 270210992 /nfs/dbraw/zinc/21/09/92/270210992.db2.gz WVBVAWIHGKWEBL-YOEHRIQHSA-N 2 2 290.426 3.177 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)c(F)c(F)c1 ZINC000531938121 270211047 /nfs/dbraw/zinc/21/10/47/270211047.db2.gz LUEYAYAOSYVXCZ-LLVKDONJSA-N 2 2 297.324 3.431 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000531948117 270211229 /nfs/dbraw/zinc/21/12/29/270211229.db2.gz BBAYLGVOWCAYMD-IRXDYDNUSA-N 2 2 282.472 3.068 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000531948117 270211230 /nfs/dbraw/zinc/21/12/30/270211230.db2.gz BBAYLGVOWCAYMD-IRXDYDNUSA-N 2 2 282.472 3.068 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000532514536 270216508 /nfs/dbraw/zinc/21/65/08/270216508.db2.gz DMSQFVOBLQKJLM-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000532514536 270216509 /nfs/dbraw/zinc/21/65/09/270216509.db2.gz DMSQFVOBLQKJLM-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532531200 270217241 /nfs/dbraw/zinc/21/72/41/270217241.db2.gz ZYFPZLOXHROTNM-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532531200 270217242 /nfs/dbraw/zinc/21/72/42/270217242.db2.gz ZYFPZLOXHROTNM-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP CCOCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280248091 273697182 /nfs/dbraw/zinc/69/71/82/273697182.db2.gz OEGOWSDYDNHQMQ-UHFFFAOYSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)CC[N@@H+]1C ZINC000251735660 274394770 /nfs/dbraw/zinc/39/47/70/274394770.db2.gz COMLQARVYZRYMY-SCVCMEIPSA-N 2 2 284.856 3.461 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3sc(Cl)cc32)CC[N@H+]1C ZINC000251735660 274394771 /nfs/dbraw/zinc/39/47/71/274394771.db2.gz COMLQARVYZRYMY-SCVCMEIPSA-N 2 2 284.856 3.461 20 0 CGADLP c1cc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc2c1[NH2+]CC2 ZINC000423214974 275064528 /nfs/dbraw/zinc/06/45/28/275064528.db2.gz MDAVXEIYENHKDO-RYQLBKOJSA-N 2 2 285.435 3.377 20 0 CGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124149522 275065569 /nfs/dbraw/zinc/06/55/69/275065569.db2.gz LORDUIFGNOYDFG-INIZCTEOSA-N 2 2 297.402 3.311 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000446975862 275070111 /nfs/dbraw/zinc/07/01/11/275070111.db2.gz DMXGBZLSRJFRGZ-HKUYNNGSSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000446975862 275070113 /nfs/dbraw/zinc/07/01/13/275070113.db2.gz DMXGBZLSRJFRGZ-HKUYNNGSSA-N 2 2 284.447 3.150 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000462789210 275391141 /nfs/dbraw/zinc/39/11/41/275391141.db2.gz JDCLAUKLJXJASQ-KZNAEPCWSA-N 2 2 294.483 3.047 20 0 CGADLP C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CCCC1 ZINC000172789216 275391546 /nfs/dbraw/zinc/39/15/46/275391546.db2.gz HLFCXXBLSFBDGY-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CCCC1 ZINC000172789216 275391547 /nfs/dbraw/zinc/39/15/47/275391547.db2.gz HLFCXXBLSFBDGY-MRXNPFEDSA-N 2 2 250.430 3.127 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423240412 275831666 /nfs/dbraw/zinc/83/16/66/275831666.db2.gz TXFYKVPEFJBVKJ-CJNGLKHVSA-N 2 2 258.409 3.141 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000427702017 276019284 /nfs/dbraw/zinc/01/92/84/276019284.db2.gz POXAZMBEZHPWSX-AYOQOUSVSA-N 2 2 286.463 3.326 20 0 CGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000427702017 276019286 /nfs/dbraw/zinc/01/92/86/276019286.db2.gz POXAZMBEZHPWSX-AYOQOUSVSA-N 2 2 286.463 3.326 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343108612 277064993 /nfs/dbraw/zinc/06/49/93/277064993.db2.gz MLIHYAAAADRPGZ-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343108612 277064994 /nfs/dbraw/zinc/06/49/94/277064994.db2.gz MLIHYAAAADRPGZ-HIFRSBDPSA-N 2 2 264.800 3.011 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000358587472 277194517 /nfs/dbraw/zinc/19/45/17/277194517.db2.gz KJSZNYLULPWMEB-ZMSDIMECSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1C ZINC000313484433 278025968 /nfs/dbraw/zinc/02/59/68/278025968.db2.gz GNEQBUJVNTWRMU-LMSBXDPUSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361665353 278038674 /nfs/dbraw/zinc/03/86/74/278038674.db2.gz WIQCGTRUQIJTBD-IFIJOSMWSA-N 2 2 299.393 3.423 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000395170495 288006772 /nfs/dbraw/zinc/00/67/72/288006772.db2.gz HKHCMLCTRXMOKL-HOCLYGCPSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000395170495 288006774 /nfs/dbraw/zinc/00/67/74/288006774.db2.gz HKHCMLCTRXMOKL-HOCLYGCPSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C[NH+]1CCC[C@](C)(F)C1)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451116907 278156060 /nfs/dbraw/zinc/15/60/60/278156060.db2.gz SVKQEGOXMQOAOB-HOTGVXAUSA-N 2 2 288.426 3.271 20 0 CGADLP CC(C[NH+]1CCC[C@](C)(F)C1)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451116907 278156061 /nfs/dbraw/zinc/15/60/61/278156061.db2.gz SVKQEGOXMQOAOB-HOTGVXAUSA-N 2 2 288.426 3.271 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348287944 278219544 /nfs/dbraw/zinc/21/95/44/278219544.db2.gz IVQBSJIVZWGVGG-NEPJUHHUSA-N 2 2 288.357 3.176 20 0 CGADLP Cc1cccc(CC[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000397539503 288024426 /nfs/dbraw/zinc/02/44/26/288024426.db2.gz UDAUDACCMJSBLF-UHFFFAOYSA-N 2 2 254.377 3.073 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000474724134 278273681 /nfs/dbraw/zinc/27/36/81/278273681.db2.gz ASKZRHISWYVWHA-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000474724134 278273684 /nfs/dbraw/zinc/27/36/84/278273684.db2.gz ASKZRHISWYVWHA-IJEWVQPXSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032481 278276794 /nfs/dbraw/zinc/27/67/94/278276794.db2.gz UQKAXVFPAQOOKK-AMJWSMQMSA-N 2 2 298.352 3.237 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000269032481 278276795 /nfs/dbraw/zinc/27/67/95/278276795.db2.gz UQKAXVFPAQOOKK-AMJWSMQMSA-N 2 2 298.352 3.237 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422729222 278371648 /nfs/dbraw/zinc/37/16/48/278371648.db2.gz HMXCUWASSYPCPG-KBRIMQKVSA-N 2 2 258.409 3.184 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)s1 ZINC000423358262 288073217 /nfs/dbraw/zinc/07/32/17/288073217.db2.gz JCUAMVJCVXTVQK-OUAUKWLOSA-N 2 2 272.845 3.440 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)[C@H]1CCC[NH2+]1 ZINC000422947338 279519734 /nfs/dbraw/zinc/51/97/34/279519734.db2.gz QHZGGELSDRUHAG-COLVAYQJSA-N 2 2 264.800 3.057 20 0 CGADLP C[N@H+](CC1(F)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527510494 288173976 /nfs/dbraw/zinc/17/39/76/288173976.db2.gz BEJZPQXSOZXXLV-UHFFFAOYSA-N 2 2 276.399 3.085 20 0 CGADLP C[N@@H+](CC1(F)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000527510494 288173979 /nfs/dbraw/zinc/17/39/79/288173979.db2.gz BEJZPQXSOZXXLV-UHFFFAOYSA-N 2 2 276.399 3.085 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527642301 288180136 /nfs/dbraw/zinc/18/01/36/288180136.db2.gz CTDVOLZEQPRKGI-GFCCVEGCSA-N 2 2 262.388 3.132 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527642301 288180138 /nfs/dbraw/zinc/18/01/38/288180138.db2.gz CTDVOLZEQPRKGI-GFCCVEGCSA-N 2 2 262.388 3.132 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccsc2S1 ZINC000222695496 280010694 /nfs/dbraw/zinc/01/06/94/280010694.db2.gz TZPZHZMDUNXHPA-GVXVVHGQSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccsc2S1 ZINC000222695496 280010695 /nfs/dbraw/zinc/01/06/95/280010695.db2.gz TZPZHZMDUNXHPA-GVXVVHGQSA-N 2 2 282.478 3.357 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000070345334 280020558 /nfs/dbraw/zinc/02/05/58/280020558.db2.gz MHHNQCHDFRIAGW-BZSNNMDCSA-N 2 2 290.451 3.083 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358395881 280063305 /nfs/dbraw/zinc/06/33/05/280063305.db2.gz ISYFWGHDQMHCCS-XEZPLFJOSA-N 2 2 278.465 3.399 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358395881 280063309 /nfs/dbraw/zinc/06/33/09/280063309.db2.gz ISYFWGHDQMHCCS-XEZPLFJOSA-N 2 2 278.465 3.399 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000527852713 288198040 /nfs/dbraw/zinc/19/80/40/288198040.db2.gz OOEXFXMERIEQSE-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000527852713 288198043 /nfs/dbraw/zinc/19/80/43/288198043.db2.gz OOEXFXMERIEQSE-SJORKVTESA-N 2 2 260.425 3.082 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1F ZINC000423330849 280188660 /nfs/dbraw/zinc/18/86/60/280188660.db2.gz UICOWUPRJCTVNC-CHWSQXEVSA-N 2 2 270.779 3.257 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251098057 280215769 /nfs/dbraw/zinc/21/57/69/280215769.db2.gz QNQYBWBKLRMEEF-PMPSAXMXSA-N 2 2 262.372 3.103 20 0 CGADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251098057 280215771 /nfs/dbraw/zinc/21/57/71/280215771.db2.gz QNQYBWBKLRMEEF-PMPSAXMXSA-N 2 2 262.372 3.103 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000430699920 280329307 /nfs/dbraw/zinc/32/93/07/280329307.db2.gz QPTRFCIDZKMYLF-GFISCPRKSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000430699920 280329308 /nfs/dbraw/zinc/32/93/08/280329308.db2.gz QPTRFCIDZKMYLF-GFISCPRKSA-N 2 2 264.457 3.274 20 0 CGADLP Cc1ccc2c(c1)C[N@@H+](CCc1c[nH+]cn1C)C(C)(C)C2 ZINC000459485403 281070557 /nfs/dbraw/zinc/07/05/57/281070557.db2.gz IWINCJSDGAKYRY-UHFFFAOYSA-N 2 2 283.419 3.108 20 0 CGADLP Cc1ccc2c(c1)C[N@H+](CCc1c[nH+]cn1C)C(C)(C)C2 ZINC000459485403 281070558 /nfs/dbraw/zinc/07/05/58/281070558.db2.gz IWINCJSDGAKYRY-UHFFFAOYSA-N 2 2 283.419 3.108 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358130644 281271524 /nfs/dbraw/zinc/27/15/24/281271524.db2.gz MSXZZTFZWFHJHT-DOPJRALCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358130644 281271528 /nfs/dbraw/zinc/27/15/28/281271528.db2.gz MSXZZTFZWFHJHT-DOPJRALCSA-N 2 2 270.420 3.055 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423548523 281303845 /nfs/dbraw/zinc/30/38/45/281303845.db2.gz GQTSRFBVNUXYKE-YCPHGPKFSA-N 2 2 258.409 3.275 20 0 CGADLP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000344987177 281353286 /nfs/dbraw/zinc/35/32/86/281353286.db2.gz UQLFSRNBQDORNF-RDJZCZTQSA-N 2 2 285.391 3.198 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)CCC2 ZINC000373071512 281551174 /nfs/dbraw/zinc/55/11/74/281551174.db2.gz SVZWOYMQBRZCQL-VHDGCEQUSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)CCC2 ZINC000344516193 281552152 /nfs/dbraw/zinc/55/21/52/281552152.db2.gz PGBHTFWEMYWGEV-AEGPPILISA-N 2 2 261.413 3.237 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000531728509 288343906 /nfs/dbraw/zinc/34/39/06/288343906.db2.gz CGRHEZPKQHTXBG-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000531728509 288343908 /nfs/dbraw/zinc/34/39/08/288343908.db2.gz CGRHEZPKQHTXBG-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531728873 288344279 /nfs/dbraw/zinc/34/42/79/288344279.db2.gz RIZVXSHADKMWEA-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531728873 288344282 /nfs/dbraw/zinc/34/42/82/288344282.db2.gz RIZVXSHADKMWEA-CRAIPNDOSA-N 2 2 272.436 3.459 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531728816 288344334 /nfs/dbraw/zinc/34/43/34/288344334.db2.gz MRHXWPMTSJTAED-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531728816 288344337 /nfs/dbraw/zinc/34/43/37/288344337.db2.gz MRHXWPMTSJTAED-CABCVRRESA-N 2 2 278.415 3.078 20 0 CGADLP Cc1nc(NC[C@H](c2ccccc2)[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301443499 281867039 /nfs/dbraw/zinc/86/70/39/281867039.db2.gz PQKPIHFBQBSBNR-MRXNPFEDSA-N 2 2 284.407 3.117 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000249119522 289990855 /nfs/dbraw/zinc/99/08/55/289990855.db2.gz TWWCOGXREHBNKL-GRDNDAEWSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)CCC[NH+]1CCCC1 ZINC000542842952 288774263 /nfs/dbraw/zinc/77/42/63/288774263.db2.gz XASIZTLLKISGRJ-UHFFFAOYSA-N 2 2 283.419 3.465 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)[NH+](C)C)cc1 ZINC000548880869 289027015 /nfs/dbraw/zinc/02/70/15/289027015.db2.gz FNABXGNLOZUAHB-XWTMOSNGSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC[N@@H+]1C ZINC000342760688 289060457 /nfs/dbraw/zinc/06/04/57/289060457.db2.gz QJGPGBUNTXGCPI-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC[N@H+]1C ZINC000342760688 289060459 /nfs/dbraw/zinc/06/04/59/289060459.db2.gz QJGPGBUNTXGCPI-HFBAOOFYSA-N 2 2 278.827 3.400 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000551535336 289120549 /nfs/dbraw/zinc/12/05/49/289120549.db2.gz VUOZIZLUQQNMGF-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000551535336 289120552 /nfs/dbraw/zinc/12/05/52/289120552.db2.gz VUOZIZLUQQNMGF-BEFAXECRSA-N 2 2 286.463 3.388 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000551542899 289121171 /nfs/dbraw/zinc/12/11/71/289121171.db2.gz NUBXXHUSWKEPCO-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000551542899 289121175 /nfs/dbraw/zinc/12/11/75/289121175.db2.gz NUBXXHUSWKEPCO-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572730 289122817 /nfs/dbraw/zinc/12/28/17/289122817.db2.gz JLLAVAMQJFTNTJ-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551572730 289122819 /nfs/dbraw/zinc/12/28/19/289122819.db2.gz JLLAVAMQJFTNTJ-SWLSCSKDSA-N 2 2 278.827 3.259 20 0 CGADLP CCC1CC([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000551789353 289132744 /nfs/dbraw/zinc/13/27/44/289132744.db2.gz NBNDLKWBXDFVCV-MOKVOYLWSA-N 2 2 275.440 3.274 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000552051780 289155759 /nfs/dbraw/zinc/15/57/59/289155759.db2.gz GJLDWWIWIJFPPW-HRCADAONSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000552051780 289155760 /nfs/dbraw/zinc/15/57/60/289155760.db2.gz GJLDWWIWIJFPPW-HRCADAONSA-N 2 2 250.430 3.028 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000556585053 289398825 /nfs/dbraw/zinc/39/88/25/289398825.db2.gz FSMDVZYEDPZQSF-INIZCTEOSA-N 2 2 294.483 3.047 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC13CCC3)CCCC2 ZINC000560146020 289573930 /nfs/dbraw/zinc/57/39/30/289573930.db2.gz KJGZVDUBOFWIBL-AWEZNQCLSA-N 2 2 259.397 3.032 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000560246767 289579426 /nfs/dbraw/zinc/57/94/26/289579426.db2.gz IDJXAQVKYOBYOG-HOTGVXAUSA-N 2 2 290.451 3.162 20 0 CGADLP CCc1cccnc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560268260 289581292 /nfs/dbraw/zinc/58/12/92/289581292.db2.gz TUEYVXBWZRPBIK-ZDUSSCGKSA-N 2 2 284.407 3.028 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000560514014 289599337 /nfs/dbraw/zinc/59/93/37/289599337.db2.gz QPMXPSCADRUJOR-OKZBNKHCSA-N 2 2 292.442 3.277 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000443213892 293156958 /nfs/dbraw/zinc/15/69/58/293156958.db2.gz JCXNDOYINYFRDH-WBAXXEDZSA-N 2 2 290.451 3.001 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423029997 294485550 /nfs/dbraw/zinc/48/55/50/294485550.db2.gz AZWDUDSQJIVCPV-OJDYBEQGSA-N 2 2 296.842 3.146 20 0 CGADLP Fc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423543506 294766475 /nfs/dbraw/zinc/76/64/75/294766475.db2.gz BZNCWCHRXQHIQS-SMDDNHRTSA-N 2 2 280.412 3.094 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000564236124 322024042 /nfs/dbraw/zinc/02/40/42/322024042.db2.gz DYDHINAMKJFIDK-SFHVURJKSA-N 2 2 286.394 3.261 20 0 CGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H](C)C[NH+](C)C ZINC000564414019 322030453 /nfs/dbraw/zinc/03/04/53/322030453.db2.gz FYFCAYNJOWXDJX-SRXBQZRASA-N 2 2 298.377 3.231 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(Cl)cc1 ZINC000565222542 322067969 /nfs/dbraw/zinc/06/79/69/322067969.db2.gz RDZORWJOERFMCW-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(Cl)cc1 ZINC000565222542 322067971 /nfs/dbraw/zinc/06/79/71/322067971.db2.gz RDZORWJOERFMCW-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000565638276 322084692 /nfs/dbraw/zinc/08/46/92/322084692.db2.gz BAGSPKKOLAETEN-HOTGVXAUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000565638276 322084694 /nfs/dbraw/zinc/08/46/94/322084694.db2.gz BAGSPKKOLAETEN-HOTGVXAUSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1C ZINC000566021384 322101393 /nfs/dbraw/zinc/10/13/93/322101393.db2.gz WKPLKPOLJHYXQN-UHFFFAOYSA-N 2 2 271.408 3.316 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2csc3ccccc23)n1C ZINC000566749748 322137007 /nfs/dbraw/zinc/13/70/07/322137007.db2.gz XZLOFSZSKAJJCC-UHFFFAOYSA-N 2 2 271.389 3.233 20 0 CGADLP Cc1ccc2cc[nH+]c(NC[C@H](C3CC3)[NH+](C)C)c2c1 ZINC000567162615 322152753 /nfs/dbraw/zinc/15/27/53/322152753.db2.gz CLWIXRKLOJWSJB-MRXNPFEDSA-N 2 2 269.392 3.295 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000567729908 322175067 /nfs/dbraw/zinc/17/50/67/322175067.db2.gz LDFYJCWDSBWZPV-GOSISDBHSA-N 2 2 284.403 3.036 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000567734538 322175133 /nfs/dbraw/zinc/17/51/33/322175133.db2.gz OFHXUZUPFVARCB-LLVKDONJSA-N 2 2 278.783 3.379 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000567734538 322175134 /nfs/dbraw/zinc/17/51/34/322175134.db2.gz OFHXUZUPFVARCB-LLVKDONJSA-N 2 2 278.783 3.379 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CO2 ZINC000569350031 322244544 /nfs/dbraw/zinc/24/45/44/322244544.db2.gz ONYZFPLJOUIVRU-GVDBMIGSSA-N 2 2 280.371 3.163 20 0 CGADLP Cc1[nH]c(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)[nH+]c1C ZINC000569379770 322245718 /nfs/dbraw/zinc/24/57/18/322245718.db2.gz QHCZCLXBMDZJIO-UHFFFAOYSA-N 2 2 295.390 3.441 20 0 CGADLP CC[NH2+]CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000571156512 322291366 /nfs/dbraw/zinc/29/13/66/322291366.db2.gz MHONYQMNOMPZLU-CYBMUJFWSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000571389735 322297301 /nfs/dbraw/zinc/29/73/01/322297301.db2.gz YRVCVBZCTLDGLA-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000571389735 322297303 /nfs/dbraw/zinc/29/73/03/322297303.db2.gz YRVCVBZCTLDGLA-CABCVRRESA-N 2 2 250.430 3.031 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000572226904 322326430 /nfs/dbraw/zinc/32/64/30/322326430.db2.gz NQXIVZWWPQVXPC-BPUTZDHNSA-N 2 2 261.413 3.304 20 0 CGADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000572226904 322326432 /nfs/dbraw/zinc/32/64/32/322326432.db2.gz NQXIVZWWPQVXPC-BPUTZDHNSA-N 2 2 261.413 3.304 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCC34CC4)c2)c[nH+]1 ZINC000572258103 322328068 /nfs/dbraw/zinc/32/80/68/322328068.db2.gz JLSDOLFMKPCONM-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP CCCC[C@H](CCC)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573936304 322415051 /nfs/dbraw/zinc/41/50/51/322415051.db2.gz ZDIWMHBJDWMOMR-AWEZNQCLSA-N 2 2 251.418 3.425 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)cc1F ZINC000582677083 329123032 /nfs/dbraw/zinc/12/30/32/329123032.db2.gz LLNYUFINQMARTR-HNNXBMFYSA-N 2 2 279.334 3.248 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000397468057 329354581 /nfs/dbraw/zinc/35/45/81/329354581.db2.gz OTZUJMHOSFVITJ-LBPRGKRZSA-N 2 2 261.394 3.048 20 0 CGADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201645 335168551 /nfs/dbraw/zinc/16/85/51/335168551.db2.gz IMPLNDBGNZDQRO-OLZOCXBDSA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201645 335168552 /nfs/dbraw/zinc/16/85/52/335168552.db2.gz IMPLNDBGNZDQRO-OLZOCXBDSA-N 2 2 297.402 3.281 20 0 CGADLP C[NH+](C)C1CC([NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC000576291220 335184901 /nfs/dbraw/zinc/18/49/01/335184901.db2.gz DJZWQAQZKKYYJM-UHFFFAOYSA-N 2 2 293.461 3.054 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576397244 335198308 /nfs/dbraw/zinc/19/83/08/335198308.db2.gz ZLKHUPYSZSNLFP-KZNAEPCWSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576397244 335198310 /nfs/dbraw/zinc/19/83/10/335198310.db2.gz ZLKHUPYSZSNLFP-KZNAEPCWSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576397244 335198311 /nfs/dbraw/zinc/19/83/11/335198311.db2.gz ZLKHUPYSZSNLFP-KZNAEPCWSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576397244 335198313 /nfs/dbraw/zinc/19/83/13/335198313.db2.gz ZLKHUPYSZSNLFP-KZNAEPCWSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1nc2c(s1)CCC2 ZINC000579342052 335735781 /nfs/dbraw/zinc/73/57/81/335735781.db2.gz QQLNZEAVSSRBJU-ZBINZKHDSA-N 2 2 299.443 3.427 20 0 CGADLP Cc1csc([C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC000581278422 336035682 /nfs/dbraw/zinc/03/56/82/336035682.db2.gz YUBSQVWZIIVLEE-CABCVRRESA-N 2 2 293.480 3.367 20 0 CGADLP Cc1csc([C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278422 336035683 /nfs/dbraw/zinc/03/56/83/336035683.db2.gz YUBSQVWZIIVLEE-CABCVRRESA-N 2 2 293.480 3.367 20 0 CGADLP C[C@H](C[NH2+]Cc1cccc(O)c1Cl)C[NH+]1CCCCC1 ZINC000381431733 336062976 /nfs/dbraw/zinc/06/29/76/336062976.db2.gz USVVOKQBOBCGCV-CYBMUJFWSA-N 2 2 296.842 3.257 20 0 CGADLP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)cc1 ZINC000385369518 336144936 /nfs/dbraw/zinc/14/49/36/336144936.db2.gz KKTTXISOEPHNDD-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)cc1 ZINC000385369518 336144937 /nfs/dbraw/zinc/14/49/37/336144937.db2.gz KKTTXISOEPHNDD-MOPGFXCFSA-N 2 2 278.399 3.147 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000385892144 336160243 /nfs/dbraw/zinc/16/02/43/336160243.db2.gz ZKOLCBLVWDYSBM-XSCHDIRWSA-N 2 2 282.497 3.123 20 0 CGADLP CSCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000385892144 336160244 /nfs/dbraw/zinc/16/02/44/336160244.db2.gz ZKOLCBLVWDYSBM-XSCHDIRWSA-N 2 2 282.497 3.123 20 0 CGADLP F[C@]1(c2ccccc2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000581956282 336179286 /nfs/dbraw/zinc/17/92/86/336179286.db2.gz HGXPFBNVONWFIK-GOSISDBHSA-N 2 2 295.361 3.405 20 0 CGADLP F[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000581956282 336179288 /nfs/dbraw/zinc/17/92/88/336179288.db2.gz HGXPFBNVONWFIK-GOSISDBHSA-N 2 2 295.361 3.405 20 0 CGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(Cl)ccc1Cl ZINC000423313095 533879249 /nfs/dbraw/zinc/87/92/49/533879249.db2.gz FANDNKQZKOLECZ-ISVAXAHUSA-N 2 2 273.207 3.381 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc2ccccc21 ZINC000449234182 533905875 /nfs/dbraw/zinc/90/58/75/533905875.db2.gz PDIPRHOTBYEOGP-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc2ccccc21 ZINC000449234182 533905885 /nfs/dbraw/zinc/90/58/85/533905885.db2.gz PDIPRHOTBYEOGP-KSSFIOAISA-N 2 2 298.430 3.421 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc(C(F)(F)F)cs1 ZINC000423407299 533985251 /nfs/dbraw/zinc/98/52/51/533985251.db2.gz ZSYZJOQZFOIIGJ-XHNCKOQMSA-N 2 2 293.358 3.082 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000425332533 533999452 /nfs/dbraw/zinc/99/94/52/533999452.db2.gz BLOHVQXIHFHNSD-GDBMZVCRSA-N 2 2 289.448 3.218 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000462687133 535821990 /nfs/dbraw/zinc/82/19/90/535821990.db2.gz RPNFDJUXBZAXLV-OAGGEKHMSA-N 2 2 252.446 3.419 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000462687133 535821991 /nfs/dbraw/zinc/82/19/91/535821991.db2.gz RPNFDJUXBZAXLV-OAGGEKHMSA-N 2 2 252.446 3.419 20 0 CGADLP c1sc2ccccc2c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072360 534546444 /nfs/dbraw/zinc/54/64/44/534546444.db2.gz WHVFYFFIKRNNCI-CYBMUJFWSA-N 2 2 260.406 3.133 20 0 CGADLP Clc1cc2cccnc2c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415065373 534633084 /nfs/dbraw/zinc/63/30/84/534633084.db2.gz FYYJOHWUVMUVOF-HNNXBMFYSA-N 2 2 289.810 3.120 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049591425 523845534 /nfs/dbraw/zinc/84/55/34/523845534.db2.gz ZSMMUVBKHTTZLJ-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049591425 523845539 /nfs/dbraw/zinc/84/55/39/523845539.db2.gz ZSMMUVBKHTTZLJ-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1Br ZINC000049553136 524167398 /nfs/dbraw/zinc/16/73/98/524167398.db2.gz DFELLSHMJDZFRO-NEPJUHHUSA-N 2 2 299.256 3.440 20 0 CGADLP Cc1csc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)n1 ZINC000414098925 534794617 /nfs/dbraw/zinc/79/46/17/534794617.db2.gz PQYKUBHRFUMHBL-UHFFFAOYSA-N 2 2 291.464 3.047 20 0 CGADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449130245 526420019 /nfs/dbraw/zinc/42/00/19/526420019.db2.gz GCEHHDQBAWPHQM-SWKXRBFHSA-N 2 2 292.467 3.083 20 0 CGADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449130245 526420032 /nfs/dbraw/zinc/42/00/32/526420032.db2.gz GCEHHDQBAWPHQM-SWKXRBFHSA-N 2 2 292.467 3.083 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067608 527934071 /nfs/dbraw/zinc/93/40/71/527934071.db2.gz XRCFTUWWNJLRCZ-GDBMZVCRSA-N 2 2 278.465 3.099 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067608 527934076 /nfs/dbraw/zinc/93/40/76/527934076.db2.gz XRCFTUWWNJLRCZ-GDBMZVCRSA-N 2 2 278.465 3.099 20 0 CGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNCc1c[nH+]cn1C(C)C ZINC000424159670 527969294 /nfs/dbraw/zinc/96/92/94/527969294.db2.gz PYLYCXNERRFAKM-INIZCTEOSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)C[N@H+]1CCCC[C@H]1CNCc1c[nH+]cn1C(C)C ZINC000424159670 527969296 /nfs/dbraw/zinc/96/92/96/527969296.db2.gz PYLYCXNERRFAKM-INIZCTEOSA-N 2 2 292.471 3.064 20 0 CGADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000440641607 527974315 /nfs/dbraw/zinc/97/43/15/527974315.db2.gz OXIQELXHVXMPTP-KGLIPLIRSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000440641607 527974319 /nfs/dbraw/zinc/97/43/19/527974319.db2.gz OXIQELXHVXMPTP-KGLIPLIRSA-N 2 2 299.418 3.162 20 0 CGADLP CCC[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000359691639 528066943 /nfs/dbraw/zinc/06/69/43/528066943.db2.gz SBUZDJCRPORPIZ-AWEZNQCLSA-N 2 2 257.381 3.210 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(OC)c2)CC1 ZINC000449018503 528195842 /nfs/dbraw/zinc/19/58/42/528195842.db2.gz SIDRYULVRGJECP-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(OC)c2)CC1 ZINC000449018503 528195849 /nfs/dbraw/zinc/19/58/49/528195849.db2.gz SIDRYULVRGJECP-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103954 528208589 /nfs/dbraw/zinc/20/85/89/528208589.db2.gz ZMQHYBIWPDCTBQ-ZFWWWQNUSA-N 2 2 299.418 3.405 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103954 528208594 /nfs/dbraw/zinc/20/85/94/528208594.db2.gz ZMQHYBIWPDCTBQ-ZFWWWQNUSA-N 2 2 299.418 3.405 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423233704 528332491 /nfs/dbraw/zinc/33/24/91/528332491.db2.gz KKEUBHFUDBMOMK-ZDUSSCGKSA-N 2 2 290.329 3.235 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414936326 528420588 /nfs/dbraw/zinc/42/05/88/528420588.db2.gz BSNHVCDRZAIQCL-CQSZACIVSA-N 2 2 276.424 3.096 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423394428 528422078 /nfs/dbraw/zinc/42/20/78/528422078.db2.gz ZQIIWSISXDSYGJ-HUUCEWRRSA-N 2 2 283.419 3.397 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423471571 528473696 /nfs/dbraw/zinc/47/36/96/528473696.db2.gz PSBOJTABPLVLIA-PWSUYJOCSA-N 2 2 270.804 3.127 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000441191418 528503099 /nfs/dbraw/zinc/50/30/99/528503099.db2.gz BVZPNQIMIQHALF-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000441191418 528503103 /nfs/dbraw/zinc/50/31/03/528503103.db2.gz BVZPNQIMIQHALF-HNNXBMFYSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000423312631 528513227 /nfs/dbraw/zinc/51/32/27/528513227.db2.gz SEYNWKCKHSADIY-NSHDSACASA-N 2 2 283.485 3.399 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000423306994 528514977 /nfs/dbraw/zinc/51/49/77/528514977.db2.gz GABIXULIRFQOIM-OAHLLOKOSA-N 2 2 294.464 3.211 20 0 CGADLP CCCCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1(C)C ZINC000437090680 528650197 /nfs/dbraw/zinc/65/01/97/528650197.db2.gz BLGSSSFHMUYVBC-CABCVRRESA-N 2 2 282.472 3.044 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423543454 528726883 /nfs/dbraw/zinc/72/68/83/528726883.db2.gz BWHBESOLSRAVTF-HOCLYGCPSA-N 2 2 276.424 3.268 20 0 CGADLP CCCC[C@@H](COC)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415069338 528832535 /nfs/dbraw/zinc/83/25/35/528832535.db2.gz SDBWERWZUKFMSV-DOTOQJQBSA-N 2 2 278.440 3.044 20 0 CGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437101264 529001823 /nfs/dbraw/zinc/00/18/23/529001823.db2.gz YTRCDYBVKDBPML-GJZGRUSLSA-N 2 2 252.446 3.419 20 0 CGADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000414127543 529009420 /nfs/dbraw/zinc/00/94/20/529009420.db2.gz QGZXFOLRUVTYGN-CQSZACIVSA-N 2 2 263.410 3.155 20 0 CGADLP CC(C)[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000423341987 529119582 /nfs/dbraw/zinc/11/95/82/529119582.db2.gz YSBNSTAHBFXJQH-AWEZNQCLSA-N 2 2 268.351 3.133 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1OC ZINC000423287482 529155102 /nfs/dbraw/zinc/15/51/02/529155102.db2.gz MOZZGEWHVYIACK-GFCCVEGCSA-N 2 2 270.804 3.127 20 0 CGADLP CCSCC[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000437988165 529180666 /nfs/dbraw/zinc/18/06/66/529180666.db2.gz QWTMOMDVSJZHKZ-KRWDZBQOSA-N 2 2 292.492 3.240 20 0 CGADLP CCSCC[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000437988165 529180670 /nfs/dbraw/zinc/18/06/70/529180670.db2.gz QWTMOMDVSJZHKZ-KRWDZBQOSA-N 2 2 292.492 3.240 20 0 CGADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232475499 571806301 /nfs/dbraw/zinc/80/63/01/571806301.db2.gz BYKANFJREPZVKF-INIZCTEOSA-N 2 2 254.377 3.072 20 0 CGADLP CCc1c(C)[nH+]c2ccccc2c1NCc1c[nH+]cn1C ZINC000291158225 572335560 /nfs/dbraw/zinc/33/55/60/572335560.db2.gz PSOOLKNMPFKZOY-UHFFFAOYSA-N 2 2 280.375 3.451 20 0 CGADLP C[C@H]([N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000750036547 573075704 /nfs/dbraw/zinc/07/57/04/573075704.db2.gz QSUIVXPZPTWMLN-ZDUSSCGKSA-N 2 2 272.396 3.134 20 0 CGADLP C[C@H]([N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000750036547 573075709 /nfs/dbraw/zinc/07/57/09/573075709.db2.gz QSUIVXPZPTWMLN-ZDUSSCGKSA-N 2 2 272.396 3.134 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000806136082 617957372 /nfs/dbraw/zinc/95/73/72/617957372.db2.gz ZTPKHXFOUSNUEA-GDBMZVCRSA-N 2 2 255.365 3.151 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC(F)(F)C1 ZINC000926841616 618928767 /nfs/dbraw/zinc/92/87/67/618928767.db2.gz KNKRYJXGTPBLMX-STQMWFEESA-N 2 2 272.383 3.028 20 0 CGADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC(F)(F)C1 ZINC000926841616 618928768 /nfs/dbraw/zinc/92/87/68/618928768.db2.gz KNKRYJXGTPBLMX-STQMWFEESA-N 2 2 272.383 3.028 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1Br ZINC000019905933 618973842 /nfs/dbraw/zinc/97/38/42/618973842.db2.gz QTDBBPXJADPGBS-UHFFFAOYSA-N 2 2 299.256 3.127 20 0 CGADLP Cc1cccc(C)c1C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925583895 619073377 /nfs/dbraw/zinc/07/33/77/619073377.db2.gz OJFCOFQWYXKJBA-YJBOKZPZSA-N 2 2 268.404 3.482 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925661210 619116501 /nfs/dbraw/zinc/11/65/01/619116501.db2.gz TXBXJMVQBUYUOF-DVMXTWATSA-N 2 2 288.460 3.056 20 0 CGADLP CC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925677099 619125984 /nfs/dbraw/zinc/12/59/84/619125984.db2.gz NXXTYIOVSRTVCF-AWEZNQCLSA-N 2 2 280.362 3.173 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261652847 619298711 /nfs/dbraw/zinc/29/87/11/619298711.db2.gz SNRCCMWCSNDVBL-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261652847 619298713 /nfs/dbraw/zinc/29/87/13/619298713.db2.gz SNRCCMWCSNDVBL-ZBFHGGJFSA-N 2 2 276.424 3.033 20 0 CGADLP Fc1cccc(/C=C\C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893966173 619341412 /nfs/dbraw/zinc/34/14/12/619341412.db2.gz IXVFPSNLENGUSA-PRSOIBJXSA-N 2 2 285.366 3.442 20 0 CGADLP c1ccc(NCCC[NH2+]Cc2cccc3c2NCCC3)[nH+]c1 ZINC000894392621 619517215 /nfs/dbraw/zinc/51/72/15/619517215.db2.gz BCSBLLRGQSIVIK-UHFFFAOYSA-N 2 2 296.418 3.032 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(SC)o1 ZINC000894777441 619630353 /nfs/dbraw/zinc/63/03/53/619630353.db2.gz OIVVKDRWRBDMRC-UHFFFAOYSA-N 2 2 270.442 3.165 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(SC)o1 ZINC000894777441 619630355 /nfs/dbraw/zinc/63/03/55/619630355.db2.gz OIVVKDRWRBDMRC-UHFFFAOYSA-N 2 2 270.442 3.165 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000049093072 619692476 /nfs/dbraw/zinc/69/24/76/619692476.db2.gz MGGUQNBMRLGUHZ-ZIAGYGMSSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1ccoc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111451 619734993 /nfs/dbraw/zinc/73/49/93/619734993.db2.gz PHLSBCYEDQZDCI-SHTZXODSSA-N 2 2 285.391 3.260 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000895115987 619736242 /nfs/dbraw/zinc/73/62/42/619736242.db2.gz QIABHWFTGAOHOA-OVYGPGRDSA-N 2 2 285.435 3.347 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000895379534 619817506 /nfs/dbraw/zinc/81/75/06/619817506.db2.gz LXGRRGSXVOQRSG-DYVFJYSZSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc(C2CC2)no1 ZINC000895379534 619817508 /nfs/dbraw/zinc/81/75/08/619817508.db2.gz LXGRRGSXVOQRSG-DYVFJYSZSA-N 2 2 291.439 3.104 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925197846 620227185 /nfs/dbraw/zinc/22/71/85/620227185.db2.gz WEKBTNOPXLZCHS-ZDUSSCGKSA-N 2 2 281.444 3.451 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccnnc1)[N@H+](C)Cc1ccccc1 ZINC000925200039 620228046 /nfs/dbraw/zinc/22/80/46/620228046.db2.gz JCIYLEZIEPKJOA-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccnnc1)[N@@H+](C)Cc1ccccc1 ZINC000925200039 620228047 /nfs/dbraw/zinc/22/80/47/620228047.db2.gz JCIYLEZIEPKJOA-HOTGVXAUSA-N 2 2 298.434 3.038 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c(C)c1 ZINC000840726330 620238228 /nfs/dbraw/zinc/23/82/28/620238228.db2.gz GGJFKPFLOGSZCG-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c(C)c1 ZINC000840726330 620238231 /nfs/dbraw/zinc/23/82/31/620238231.db2.gz GGJFKPFLOGSZCG-HUUCEWRRSA-N 2 2 276.424 3.139 20 0 CGADLP CCO[C@H](C[NH2+][C@H]1CC[C@H](C)c2ccsc21)C[NH+](C)C ZINC000926957677 620554771 /nfs/dbraw/zinc/55/47/71/620554771.db2.gz CAMGZAZFGJSNMK-GUTXKFCHSA-N 2 2 296.480 3.243 20 0 CGADLP Cc1cccc([C@@H]([NH2+]CC2([NH3+])CC2)c2cccc(F)c2)c1 ZINC000902405635 621292101 /nfs/dbraw/zinc/29/21/01/621292101.db2.gz JNGNACRFJUTJOY-QGZVFWFLSA-N 2 2 284.378 3.304 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000902435817 621318030 /nfs/dbraw/zinc/31/80/30/621318030.db2.gz VJGBROLTEGHWHP-AYRXBEOTSA-N 2 2 298.352 3.322 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437468 621319311 /nfs/dbraw/zinc/31/93/11/621319311.db2.gz IWMPTPDPFZLITL-KCPJHIHWSA-N 2 2 272.417 3.332 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2sccc21 ZINC000902469851 621340696 /nfs/dbraw/zinc/34/06/96/621340696.db2.gz RTNSQGQVVBFNRA-BJKGOZRQSA-N 2 2 262.422 3.169 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc2ccccc2s1 ZINC000902470217 621341590 /nfs/dbraw/zinc/34/15/90/621341590.db2.gz UUQUZAISUUYSPY-SCUASFONSA-N 2 2 272.417 3.445 20 0 CGADLP CC(C)C[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CCOCC1 ZINC000902758016 621427802 /nfs/dbraw/zinc/42/78/02/621427802.db2.gz BFUKKPJMLDMRSN-SJLPKXTDSA-N 2 2 296.499 3.292 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902964387 621508264 /nfs/dbraw/zinc/50/82/64/621508264.db2.gz LVQNBXVTKIXFSC-AWEZNQCLSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H]([NH2+]CCCOC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000902981537 621511395 /nfs/dbraw/zinc/51/13/95/621511395.db2.gz APTPTEQCVWKJCX-LBPRGKRZSA-N 2 2 295.333 3.152 20 0 CGADLP C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025736 621542908 /nfs/dbraw/zinc/54/29/08/621542908.db2.gz HYNKGKRNESTMDK-WFASDCNBSA-N 2 2 253.349 3.075 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903063972 621551927 /nfs/dbraw/zinc/55/19/27/621551927.db2.gz KMXXELJVCMOOHP-HZPDHXFCSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@H]([NH2+]CCc1ccns1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087982 621565702 /nfs/dbraw/zinc/56/57/02/621565702.db2.gz OJFXXSJFRGPGAX-ZDUSSCGKSA-N 2 2 298.415 3.222 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000903244466 621636394 /nfs/dbraw/zinc/63/63/94/621636394.db2.gz VXFCXKOZRGEBCA-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000903244466 621636396 /nfs/dbraw/zinc/63/63/96/621636396.db2.gz VXFCXKOZRGEBCA-IRXDYDNUSA-N 2 2 294.483 3.046 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1cccnc1 ZINC000903381172 621721935 /nfs/dbraw/zinc/72/19/35/621721935.db2.gz SLRCQIGHIHPJDQ-BZSNNMDCSA-N 2 2 287.451 3.243 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccnc1 ZINC000903381175 621722203 /nfs/dbraw/zinc/72/22/03/621722203.db2.gz SLRCQIGHIHPJDQ-SQNIBIBYSA-N 2 2 287.451 3.243 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856164 621821045 /nfs/dbraw/zinc/82/10/45/621821045.db2.gz QRLKQTLCDZODSH-GXTWGEPZSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856164 621821049 /nfs/dbraw/zinc/82/10/49/621821049.db2.gz QRLKQTLCDZODSH-GXTWGEPZSA-N 2 2 284.325 3.019 20 0 CGADLP CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887297 621822252 /nfs/dbraw/zinc/82/22/52/621822252.db2.gz YKNJARRTHBOECZ-GXFFZTMASA-N 2 2 274.330 3.191 20 0 CGADLP CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887297 621822254 /nfs/dbraw/zinc/82/22/54/621822254.db2.gz YKNJARRTHBOECZ-GXFFZTMASA-N 2 2 274.330 3.191 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903932897 621834891 /nfs/dbraw/zinc/83/48/91/621834891.db2.gz XCOHNEHSZBYISQ-LBPRGKRZSA-N 2 2 296.361 3.464 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903932897 621834893 /nfs/dbraw/zinc/83/48/93/621834893.db2.gz XCOHNEHSZBYISQ-LBPRGKRZSA-N 2 2 296.361 3.464 20 0 CGADLP Cc1cc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903948183 621840489 /nfs/dbraw/zinc/84/04/89/621840489.db2.gz MREHOIXKUIZQLZ-ARFHVFGLSA-N 2 2 259.397 3.031 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904349543 621911291 /nfs/dbraw/zinc/91/12/91/621911291.db2.gz AHVJPIOIQLLZQD-LLVKDONJSA-N 2 2 274.330 3.370 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C(C)(C)C)cc1C ZINC000904445964 621924256 /nfs/dbraw/zinc/92/42/56/621924256.db2.gz VSOOQERGNRZBGT-CYBMUJFWSA-N 2 2 264.413 3.042 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769407741 625568095 /nfs/dbraw/zinc/56/80/95/625568095.db2.gz QFLMYDUBWRHQRQ-UKRRQHHQSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924852584 622722194 /nfs/dbraw/zinc/72/21/94/622722194.db2.gz KFLZTCZSDZYZMD-KBPBESRZSA-N 2 2 287.407 3.332 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000044426603 622747435 /nfs/dbraw/zinc/74/74/35/622747435.db2.gz RZKHZCWTCMELHK-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000044426603 622747439 /nfs/dbraw/zinc/74/74/39/622747439.db2.gz RZKHZCWTCMELHK-ZDUSSCGKSA-N 2 2 272.314 3.019 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000044529312 622793350 /nfs/dbraw/zinc/79/33/50/622793350.db2.gz WLMKPPSDUBSDJG-GFCCVEGCSA-N 2 2 289.810 3.059 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000044529312 622793364 /nfs/dbraw/zinc/79/33/64/622793364.db2.gz WLMKPPSDUBSDJG-GFCCVEGCSA-N 2 2 289.810 3.059 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)o1 ZINC000163681342 622795858 /nfs/dbraw/zinc/79/58/58/622795858.db2.gz DLKQFCOWSKVMNS-UHFFFAOYSA-N 2 2 296.374 3.075 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000168158326 622996223 /nfs/dbraw/zinc/99/62/23/622996223.db2.gz DBNUQNWTOLANNG-GFCCVEGCSA-N 2 2 279.428 3.062 20 0 CGADLP C[N@H+](CCC[NH2+][C@@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815253 622999996 /nfs/dbraw/zinc/99/99/96/622999996.db2.gz ROJDAXVJTLQETG-QGZVFWFLSA-N 2 2 287.451 3.313 20 0 CGADLP C[N@@H+](CCC[NH2+][C@@H]1CCc2cccnc21)C1CCCCC1 ZINC000226815253 623000006 /nfs/dbraw/zinc/00/00/06/623000006.db2.gz ROJDAXVJTLQETG-QGZVFWFLSA-N 2 2 287.451 3.313 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)o1 ZINC000930123748 624463424 /nfs/dbraw/zinc/46/34/24/624463424.db2.gz ASYPVIIUDYIGGW-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)o1 ZINC000930123748 624463428 /nfs/dbraw/zinc/46/34/28/624463428.db2.gz ASYPVIIUDYIGGW-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP Cc1[nH]c(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000929261065 625968814 /nfs/dbraw/zinc/96/88/14/625968814.db2.gz YYAZRCWIGNVLKN-PJODQICGSA-N 2 2 261.413 3.427 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374865 626149371 /nfs/dbraw/zinc/14/93/71/626149371.db2.gz FBONZIBCYPPAJA-DGCLKSJQSA-N 2 2 295.496 3.166 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923374865 626149375 /nfs/dbraw/zinc/14/93/75/626149375.db2.gz FBONZIBCYPPAJA-DGCLKSJQSA-N 2 2 295.496 3.166 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000753636504 626460423 /nfs/dbraw/zinc/46/04/23/626460423.db2.gz YCUWSINWWXHOKU-CABCVRRESA-N 2 2 276.424 3.057 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000753636504 626460424 /nfs/dbraw/zinc/46/04/24/626460424.db2.gz YCUWSINWWXHOKU-CABCVRRESA-N 2 2 276.424 3.057 20 0 CGADLP CCC(CC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764488722 627209155 /nfs/dbraw/zinc/20/91/55/627209155.db2.gz GOQZTQFOXSRDME-UHFFFAOYSA-N 2 2 289.467 3.500 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1Cl ZINC000765261412 627244083 /nfs/dbraw/zinc/24/40/83/627244083.db2.gz SPPFAHWCQLQWHJ-GFCCVEGCSA-N 2 2 278.787 3.063 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000766270191 627308513 /nfs/dbraw/zinc/30/85/13/627308513.db2.gz PAZIJYNTDIWPHR-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C2CC2)c1 ZINC000766270191 627308516 /nfs/dbraw/zinc/30/85/16/627308516.db2.gz PAZIJYNTDIWPHR-VQIMIIECSA-N 2 2 286.463 3.390 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000766275664 627310777 /nfs/dbraw/zinc/31/07/77/627310777.db2.gz YKDKOXRWUOQEBC-GJZGRUSLSA-N 2 2 272.436 3.310 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000766275664 627310782 /nfs/dbraw/zinc/31/07/82/627310782.db2.gz YKDKOXRWUOQEBC-GJZGRUSLSA-N 2 2 272.436 3.310 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(C)o1 ZINC000767348366 627399652 /nfs/dbraw/zinc/39/96/52/627399652.db2.gz FPHTWZKRWNHQGI-UHFFFAOYSA-N 2 2 262.397 3.003 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(Cl)c(C)c2)CC1 ZINC000768920229 627509325 /nfs/dbraw/zinc/50/93/25/627509325.db2.gz JDHRPQMIKFNCIO-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(Cl)c(C)c2)CC1 ZINC000768920229 627509327 /nfs/dbraw/zinc/50/93/27/627509327.db2.gz JDHRPQMIKFNCIO-UHFFFAOYSA-N 2 2 295.858 3.350 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000776035969 628160513 /nfs/dbraw/zinc/16/05/13/628160513.db2.gz PEETUNQTBIKPOY-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCSCC1 ZINC000779010686 628383469 /nfs/dbraw/zinc/38/34/69/628383469.db2.gz FXIBXUFLZFCPJJ-UKRRQHHQSA-N 2 2 295.496 3.419 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@H+]3CCC[C@@H]3C)ccc2n1 ZINC000782530102 628652936 /nfs/dbraw/zinc/65/29/36/628652936.db2.gz BGSGWDQRISGCET-HNNXBMFYSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2cc(C[NH2+]CC[N@@H+]3CCC[C@@H]3C)ccc2n1 ZINC000782530102 628652939 /nfs/dbraw/zinc/65/29/39/628652939.db2.gz BGSGWDQRISGCET-HNNXBMFYSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783242405 628693411 /nfs/dbraw/zinc/69/34/11/628693411.db2.gz DAMVIIVUCQRPOH-HEHGZKQESA-N 2 2 255.365 3.321 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000862295220 629341581 /nfs/dbraw/zinc/34/15/81/629341581.db2.gz AGNYEYVXVBZQHC-CVEARBPZSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000862295220 629341582 /nfs/dbraw/zinc/34/15/82/629341582.db2.gz AGNYEYVXVBZQHC-CVEARBPZSA-N 2 2 260.425 3.172 20 0 CGADLP c1ccc2ncc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2c1 ZINC000793336890 629445253 /nfs/dbraw/zinc/44/52/53/629445253.db2.gz OIJMNDMFCXIRCG-UHFFFAOYSA-N 2 2 295.430 3.341 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000796701107 629817002 /nfs/dbraw/zinc/81/70/02/629817002.db2.gz GOLCLOYAZBKDKR-RRFJBIMHSA-N 2 2 263.429 3.322 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000797905944 630000684 /nfs/dbraw/zinc/00/06/84/630000684.db2.gz RWAVOECPEFRVSN-IRXDYDNUSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000865434141 630121398 /nfs/dbraw/zinc/12/13/98/630121398.db2.gz XXHAKVVCHXXICM-GFCCVEGCSA-N 2 2 277.799 3.271 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000800968159 630314163 /nfs/dbraw/zinc/31/41/63/630314163.db2.gz GVAPSQJFADMEKF-XGUBFFRZSA-N 2 2 261.413 3.076 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000808698261 630666240 /nfs/dbraw/zinc/66/62/40/630666240.db2.gz LFUWAAXDTVKSLE-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000808698261 630666243 /nfs/dbraw/zinc/66/62/43/630666243.db2.gz LFUWAAXDTVKSLE-JKIFEVAISA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809633573 630769328 /nfs/dbraw/zinc/76/93/28/630769328.db2.gz HITUXHRMZODUHA-RFSCMCKOSA-N 2 2 294.389 3.285 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809633573 630769331 /nfs/dbraw/zinc/76/93/31/630769331.db2.gz HITUXHRMZODUHA-RFSCMCKOSA-N 2 2 294.389 3.285 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627495 631808810 /nfs/dbraw/zinc/80/88/10/631808810.db2.gz BYZYGDQVNWKJIU-DGCLKSJQSA-N 2 2 273.355 3.065 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817955137 632250398 /nfs/dbraw/zinc/25/03/98/632250398.db2.gz QUUFKJAWUAUVFY-ZWKOTPCHSA-N 2 2 266.388 3.272 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000105488063 635867482 /nfs/dbraw/zinc/86/74/82/635867482.db2.gz DJZNUSNLACNSBM-ATGUSINASA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000105488063 635867484 /nfs/dbraw/zinc/86/74/84/635867484.db2.gz DJZNUSNLACNSBM-ATGUSINASA-N 2 2 258.409 3.162 20 0 CGADLP ClC1(Cl)C[C@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000822750073 633015220 /nfs/dbraw/zinc/01/52/20/633015220.db2.gz HKHGJWCIWZQUHM-GHMZBOCLSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[NH+]1CCCC1 ZINC000866214297 633031379 /nfs/dbraw/zinc/03/13/79/633031379.db2.gz BKHAXRPQYYRRJG-INIZCTEOSA-N 2 2 297.446 3.241 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823818634 633155298 /nfs/dbraw/zinc/15/52/98/633155298.db2.gz LVTOMXMYPGDCHE-LBPRGKRZSA-N 2 2 299.821 3.084 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823818634 633155299 /nfs/dbraw/zinc/15/52/99/633155299.db2.gz LVTOMXMYPGDCHE-LBPRGKRZSA-N 2 2 299.821 3.084 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCOC1 ZINC000866561674 633192295 /nfs/dbraw/zinc/19/22/95/633192295.db2.gz JHSRNPVNPNYIOM-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCOC1 ZINC000866561674 633192304 /nfs/dbraw/zinc/19/23/04/633192304.db2.gz JHSRNPVNPNYIOM-SZMVWBNQSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583211 633203758 /nfs/dbraw/zinc/20/37/58/633203758.db2.gz IRLACKGPIKCIIE-DVOMOZLQSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583211 633203763 /nfs/dbraw/zinc/20/37/63/633203763.db2.gz IRLACKGPIKCIIE-DVOMOZLQSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583211 633203764 /nfs/dbraw/zinc/20/37/64/633203764.db2.gz IRLACKGPIKCIIE-DVOMOZLQSA-N 2 2 278.827 3.427 20 0 CGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583211 633203768 /nfs/dbraw/zinc/20/37/68/633203768.db2.gz IRLACKGPIKCIIE-DVOMOZLQSA-N 2 2 278.827 3.427 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720257 633235947 /nfs/dbraw/zinc/23/59/47/633235947.db2.gz IUUFTLOQQJAYPT-ROUUACIJSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720257 633235948 /nfs/dbraw/zinc/23/59/48/633235948.db2.gz IUUFTLOQQJAYPT-ROUUACIJSA-N 2 2 266.388 3.166 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000873141774 634257667 /nfs/dbraw/zinc/25/76/67/634257667.db2.gz KMUHJPGVUPWADU-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000873141774 634257682 /nfs/dbraw/zinc/25/76/82/634257682.db2.gz KMUHJPGVUPWADU-AWEZNQCLSA-N 2 2 294.414 3.046 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179860 634273686 /nfs/dbraw/zinc/27/36/86/634273686.db2.gz QFTSAWBZDDEOHS-LBPRGKRZSA-N 2 2 282.815 3.008 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)CC1(C)C ZINC000873179860 634273710 /nfs/dbraw/zinc/27/37/10/634273710.db2.gz QFTSAWBZDDEOHS-LBPRGKRZSA-N 2 2 282.815 3.008 20 0 CGADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000873217650 634287698 /nfs/dbraw/zinc/28/76/98/634287698.db2.gz NQKMXDDEXSDIER-NCOADZHNSA-N 2 2 276.399 3.350 20 0 CGADLP c1c2ccccc2sc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229935 634292889 /nfs/dbraw/zinc/29/28/89/634292889.db2.gz JAWQQHZRKJXRJO-JKSUJKDBSA-N 2 2 272.417 3.276 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc1Cl ZINC000878173276 635394487 /nfs/dbraw/zinc/39/44/87/635394487.db2.gz UTXXSYNWWDYEOD-UHFFFAOYSA-N 2 2 290.798 3.146 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252537 635433568 /nfs/dbraw/zinc/43/35/68/635433568.db2.gz ODATVNLWSPHDBX-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC[C@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252537 635433577 /nfs/dbraw/zinc/43/35/77/635433577.db2.gz ODATVNLWSPHDBX-OLZOCXBDSA-N 2 2 283.366 3.415 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+]1CCCC[C@H]1C ZINC000842671987 635436596 /nfs/dbraw/zinc/43/65/96/635436596.db2.gz WLRGGXZTGOUZET-OLZOCXBDSA-N 2 2 274.399 3.417 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+]1CCCC[C@H]1C ZINC000842671987 635436605 /nfs/dbraw/zinc/43/66/05/635436605.db2.gz WLRGGXZTGOUZET-OLZOCXBDSA-N 2 2 274.399 3.417 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880134650 635920822 /nfs/dbraw/zinc/92/08/22/635920822.db2.gz OFFWGTNCEKRZKG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880134650 635920824 /nfs/dbraw/zinc/92/08/24/635920824.db2.gz OFFWGTNCEKRZKG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134650 635920827 /nfs/dbraw/zinc/92/08/27/635920827.db2.gz OFFWGTNCEKRZKG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134650 635920829 /nfs/dbraw/zinc/92/08/29/635920829.db2.gz OFFWGTNCEKRZKG-QZTJIDSGSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)s1 ZINC000880132344 635921425 /nfs/dbraw/zinc/92/14/25/635921425.db2.gz LKWOZUJSNQSSQB-GJZGRUSLSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)s1 ZINC000880132344 635921431 /nfs/dbraw/zinc/92/14/31/635921431.db2.gz LKWOZUJSNQSSQB-GJZGRUSLSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c(C)s1 ZINC000880132344 635921435 /nfs/dbraw/zinc/92/14/35/635921435.db2.gz LKWOZUJSNQSSQB-GJZGRUSLSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c(C)s1 ZINC000880132344 635921440 /nfs/dbraw/zinc/92/14/40/635921440.db2.gz LKWOZUJSNQSSQB-GJZGRUSLSA-N 2 2 264.438 3.033 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C/c1ccccc1 ZINC000880142580 635924791 /nfs/dbraw/zinc/92/47/91/635924791.db2.gz QNTGJSKJYMQBCR-WHCFMWMQSA-N 2 2 270.420 3.258 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC/C=C/c1ccccc1 ZINC000880142580 635924797 /nfs/dbraw/zinc/92/47/97/635924797.db2.gz QNTGJSKJYMQBCR-WHCFMWMQSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC/C=C/c1ccccc1 ZINC000880142580 635924801 /nfs/dbraw/zinc/92/48/01/635924801.db2.gz QNTGJSKJYMQBCR-WHCFMWMQSA-N 2 2 270.420 3.258 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC/C=C/c1ccccc1 ZINC000880142580 635924807 /nfs/dbraw/zinc/92/48/07/635924807.db2.gz QNTGJSKJYMQBCR-WHCFMWMQSA-N 2 2 270.420 3.258 20 0 CGADLP C[C@@H]1c2sccc2CC[N@H+]1CCCc1c[nH+]cn1C ZINC000880376456 635986823 /nfs/dbraw/zinc/98/68/23/635986823.db2.gz GZNCSAGFNIMIDR-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP C[C@@H]1c2sccc2CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000880376456 635986827 /nfs/dbraw/zinc/98/68/27/635986827.db2.gz GZNCSAGFNIMIDR-GFCCVEGCSA-N 2 2 275.421 3.034 20 0 CGADLP c1cn(C[C@H]([NH2+][C@H]2C=CCCC2)c2ccccc2)c[nH+]1 ZINC000880569246 636022524 /nfs/dbraw/zinc/02/25/24/636022524.db2.gz KCQDBQRLAFYHGX-IRXDYDNUSA-N 2 2 267.376 3.323 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880570929 636023816 /nfs/dbraw/zinc/02/38/16/636023816.db2.gz ZWHYWRHIVKPTOJ-DJIMGWMZSA-N 2 2 269.392 3.403 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121196 636176126 /nfs/dbraw/zinc/17/61/26/636176126.db2.gz JFWOXUMUSSSUGT-BXUZGUMPSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121196 636176130 /nfs/dbraw/zinc/17/61/30/636176130.db2.gz JFWOXUMUSSSUGT-BXUZGUMPSA-N 2 2 289.810 3.200 20 0 CGADLP CCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387563 636728868 /nfs/dbraw/zinc/72/88/68/636728868.db2.gz ZQJFNOMWTOFHDA-GDBMZVCRSA-N 2 2 257.381 3.403 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429552 636753001 /nfs/dbraw/zinc/75/30/01/636753001.db2.gz YQNQFUJAUUUSMS-BZUAXINKSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429552 636753010 /nfs/dbraw/zinc/75/30/10/636753010.db2.gz YQNQFUJAUUUSMS-BZUAXINKSA-N 2 2 294.483 3.187 20 0 CGADLP C[C@@H](CSCCF)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000850429910 637058045 /nfs/dbraw/zinc/05/80/45/637058045.db2.gz UJLLKUSFJQBQRM-ZDUSSCGKSA-N 2 2 293.411 3.053 20 0 CGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923282 637312687 /nfs/dbraw/zinc/31/26/87/637312687.db2.gz VUFWNWAPTYDQEU-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885923282 637312688 /nfs/dbraw/zinc/31/26/88/637312688.db2.gz VUFWNWAPTYDQEU-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP Cc1coc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000886009020 637357411 /nfs/dbraw/zinc/35/74/11/637357411.db2.gz ZQUGVEYQTAQHIW-UHFFFAOYSA-N 2 2 276.424 3.475 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000886098020 637408512 /nfs/dbraw/zinc/40/85/12/637408512.db2.gz IINLVRFBIDGJRX-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000886098020 637408518 /nfs/dbraw/zinc/40/85/18/637408518.db2.gz IINLVRFBIDGJRX-BZUAXINKSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1nc2ccccc2s1 ZINC000925499684 638260153 /nfs/dbraw/zinc/26/01/53/638260153.db2.gz SJBBFWKEXTYQQO-BPNCWPANSA-N 2 2 287.432 3.217 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924527793 638350279 /nfs/dbraw/zinc/35/02/79/638350279.db2.gz LXEMMLSOJSBQSS-AWEZNQCLSA-N 2 2 281.831 3.044 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924553403 638360752 /nfs/dbraw/zinc/36/07/52/638360752.db2.gz QRHVQRPMYVOTQQ-CQSZACIVSA-N 2 2 289.448 3.216 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732129 638396994 /nfs/dbraw/zinc/39/69/94/638396994.db2.gz LYDFGQNAPSBHEU-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925302317 638493820 /nfs/dbraw/zinc/49/38/20/638493820.db2.gz BNCGZPSNUXFNSM-OAHLLOKOSA-N 2 2 293.842 3.185 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)CC1(C)C ZINC000858399192 638703224 /nfs/dbraw/zinc/70/32/24/638703224.db2.gz WGGFZNNHZMHELC-MRXNPFEDSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CC1(C)C ZINC000858399192 638703230 /nfs/dbraw/zinc/70/32/30/638703230.db2.gz WGGFZNNHZMHELC-MRXNPFEDSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC000858399192 638703237 /nfs/dbraw/zinc/70/32/37/638703237.db2.gz WGGFZNNHZMHELC-MRXNPFEDSA-N 2 2 287.451 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858399192 638703238 /nfs/dbraw/zinc/70/32/38/638703238.db2.gz WGGFZNNHZMHELC-MRXNPFEDSA-N 2 2 287.451 3.354 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858531811 638756779 /nfs/dbraw/zinc/75/67/79/638756779.db2.gz BFHFXXLJQWSRBZ-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858531811 638756781 /nfs/dbraw/zinc/75/67/81/638756781.db2.gz BFHFXXLJQWSRBZ-KBXCAEBGSA-N 2 2 290.426 3.363 20 0 CGADLP Cc1ccoc1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926469098 638774274 /nfs/dbraw/zinc/77/42/74/638774274.db2.gz CMMPRUMHVGXQEW-UHFFFAOYSA-N 2 2 264.413 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(C[NH+](C)C)c1 ZINC000926590055 638788945 /nfs/dbraw/zinc/78/89/45/638788945.db2.gz KDUOPNIUPHZJOX-NEPJUHHUSA-N 2 2 290.436 3.012 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC2(CCCC2)O1 ZINC000926674702 638797529 /nfs/dbraw/zinc/79/75/29/638797529.db2.gz PBEAGYNTSBPLMN-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCC2(CCCC2)O1 ZINC000926674702 638797530 /nfs/dbraw/zinc/79/75/30/638797530.db2.gz PBEAGYNTSBPLMN-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(F)F ZINC000926704852 638801551 /nfs/dbraw/zinc/80/15/51/638801551.db2.gz LNAATXMHPGRXJT-RDBSUJKOSA-N 2 2 272.383 3.028 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(F)F ZINC000926704852 638801553 /nfs/dbraw/zinc/80/15/53/638801553.db2.gz LNAATXMHPGRXJT-RDBSUJKOSA-N 2 2 272.383 3.028 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926738045 638805220 /nfs/dbraw/zinc/80/52/20/638805220.db2.gz RBUVNWBBBQCHMJ-XQQFMLRXSA-N 2 2 291.266 3.177 20 0 CGADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926738045 638805222 /nfs/dbraw/zinc/80/52/22/638805222.db2.gz RBUVNWBBBQCHMJ-XQQFMLRXSA-N 2 2 291.266 3.177 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117494 638844488 /nfs/dbraw/zinc/84/44/88/638844488.db2.gz BTHIJMNETVTFCX-ISARSNTHSA-N 2 2 299.462 3.072 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927117494 638844490 /nfs/dbraw/zinc/84/44/90/638844490.db2.gz BTHIJMNETVTFCX-ISARSNTHSA-N 2 2 299.462 3.072 20 0 CGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000927132564 638846230 /nfs/dbraw/zinc/84/62/30/638846230.db2.gz QMAYHWZEEIPSTD-UHFFFAOYSA-N 2 2 293.455 3.146 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991287 638966328 /nfs/dbraw/zinc/96/63/28/638966328.db2.gz FIHLTRRTCVYNMC-LSDHHAIUSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)[nH]1 ZINC000929991287 638966329 /nfs/dbraw/zinc/96/63/29/638966329.db2.gz FIHLTRRTCVYNMC-LSDHHAIUSA-N 2 2 289.423 3.081 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)o1 ZINC000930310515 638990173 /nfs/dbraw/zinc/99/01/73/638990173.db2.gz HDFAGIBVQKSKKF-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)o1 ZINC000930310515 638990175 /nfs/dbraw/zinc/99/01/75/638990175.db2.gz HDFAGIBVQKSKKF-UHFFFAOYSA-N 2 2 299.418 3.259 20 0 CGADLP C[NH+]1C[C@@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314587 639132670 /nfs/dbraw/zinc/13/26/70/639132670.db2.gz PROOHAVPRZUBIH-OALUTQOASA-N 2 2 295.430 3.008 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931513246 639162900 /nfs/dbraw/zinc/16/29/00/639162900.db2.gz SRPSPALBURAKEX-ZDUSSCGKSA-N 2 2 267.376 3.092 20 0 CGADLP Cc1cccc([C@H](C)[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931513246 639162901 /nfs/dbraw/zinc/16/29/01/639162901.db2.gz SRPSPALBURAKEX-ZDUSSCGKSA-N 2 2 267.376 3.092 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932922765 639400226 /nfs/dbraw/zinc/40/02/26/639400226.db2.gz NGGJACPTDHUSHN-MRXNPFEDSA-N 2 2 289.448 3.121 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932922765 639400232 /nfs/dbraw/zinc/40/02/32/639400232.db2.gz NGGJACPTDHUSHN-MRXNPFEDSA-N 2 2 289.448 3.121 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194536134 640539026 /nfs/dbraw/zinc/53/90/26/640539026.db2.gz PDZCHHBYTILCSX-KRWDZBQOSA-N 2 2 288.435 3.179 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194536134 640539031 /nfs/dbraw/zinc/53/90/31/640539031.db2.gz PDZCHHBYTILCSX-KRWDZBQOSA-N 2 2 288.435 3.179 20 0 CGADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)co1 ZINC000093016780 640753154 /nfs/dbraw/zinc/75/31/54/640753154.db2.gz CBCJSASKRGJGAD-INIZCTEOSA-N 2 2 276.424 3.368 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)co1 ZINC000093016780 640753158 /nfs/dbraw/zinc/75/31/58/640753158.db2.gz CBCJSASKRGJGAD-INIZCTEOSA-N 2 2 276.424 3.368 20 0 CGADLP c1cn(CCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000094371209 640795868 /nfs/dbraw/zinc/79/58/68/640795868.db2.gz GLUFWZUSBNORID-INIZCTEOSA-N 2 2 291.439 3.135 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C12CCCC2 ZINC000250489565 640813797 /nfs/dbraw/zinc/81/37/97/640813797.db2.gz HYMDZSABODYNPK-GVDBMIGSSA-N 2 2 294.483 3.188 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415138677 640858668 /nfs/dbraw/zinc/85/86/68/640858668.db2.gz PVMDMFROABAZSY-SFHVURJKSA-N 2 2 284.403 3.323 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000415138677 640858674 /nfs/dbraw/zinc/85/86/74/640858674.db2.gz PVMDMFROABAZSY-SFHVURJKSA-N 2 2 284.403 3.323 20 0 CGADLP CCC[C@@H](C)c1[nH]c2ccc(N3CC[NH+](C)CC3)cc2[nH+]1 ZINC001250424609 805606819 /nfs/dbraw/zinc/60/68/19/805606819.db2.gz LGDYCAJDXUPRPK-CYBMUJFWSA-N 2 2 286.423 3.218 20 0 CGADLP Cc1cc2ccccc2c(NCc2cc[nH+]c(N)c2)[nH+]1 ZINC001156756709 805732123 /nfs/dbraw/zinc/73/21/23/805732123.db2.gz DRNLFTKHGQEOMA-UHFFFAOYSA-N 2 2 264.332 3.133 20 0 CGADLP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4ccc(C)cc43)C[C@H]2C1 ZINC001157688669 805853423 /nfs/dbraw/zinc/85/34/23/805853423.db2.gz FMCZLIDFGWEGJO-IAGOWNOFSA-N 2 2 295.430 3.321 20 0 CGADLP Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]c1C ZINC001157746228 805860080 /nfs/dbraw/zinc/86/00/80/805860080.db2.gz OPQQWEWUEBSULU-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001257311932 807100814 /nfs/dbraw/zinc/10/08/14/807100814.db2.gz SOHNMNRPCGMJTI-ZDUSSCGKSA-N 2 2 264.388 3.264 20 0 CGADLP COc1cc(C)c[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158264552 805931392 /nfs/dbraw/zinc/93/13/92/805931392.db2.gz JQSKKHHKEYQPQC-SUMWQHHRSA-N 2 2 291.439 3.354 20 0 CGADLP CC1(C)C[C@@H](Nc2ccc(Cl)c(N)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158269802 805932744 /nfs/dbraw/zinc/93/27/44/805932744.db2.gz BXWZARFZDORREX-MEBBXXQBSA-N 2 2 296.846 3.273 20 0 CGADLP c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc2c1C[NH2+]C2 ZINC001159167024 806054687 /nfs/dbraw/zinc/05/46/87/806054687.db2.gz HDMRDSSSMQWSJF-UHFFFAOYSA-N 2 2 294.402 3.419 20 0 CGADLP CCC(CC)[NH+]1CCC(Nc2[nH+]c(C)ccc2OC)CC1 ZINC001161099520 806348860 /nfs/dbraw/zinc/34/88/60/806348860.db2.gz XGVNNCURSSVKSP-UHFFFAOYSA-N 2 2 291.439 3.464 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC001254449315 806403419 /nfs/dbraw/zinc/40/34/19/806403419.db2.gz PYFOZHNRZAOAJQ-UHFFFAOYSA-N 2 2 286.463 3.256 20 0 CGADLP Cc1cccc2c(C)cc(NC[C@H]3C[NH2+]CC(C)(C)O3)[nH+]c12 ZINC001161950746 806488819 /nfs/dbraw/zinc/48/88/19/806488819.db2.gz LSUOVHQTPVMSHQ-CQSZACIVSA-N 2 2 299.418 3.031 20 0 CGADLP Fc1cccc(Cl)c1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254833150 806491987 /nfs/dbraw/zinc/49/19/87/806491987.db2.gz VLIWKBLFEOAERH-ZDUSSCGKSA-N 2 2 296.817 3.096 20 0 CGADLP Clc1cccc(CCC[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840263 806494527 /nfs/dbraw/zinc/49/45/27/806494527.db2.gz FDHWUNBDMYTWFH-KRWDZBQOSA-N 2 2 292.854 3.347 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254837776 806494699 /nfs/dbraw/zinc/49/46/99/806494699.db2.gz VWEQDLLMJPHDHZ-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP FC(F)(F)[C@H]1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254851214 806498296 /nfs/dbraw/zinc/49/82/96/806498296.db2.gz LNVXSWBRYRRVIN-MGPQQGTHSA-N 2 2 290.373 3.181 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1C ZINC001254849702 806499143 /nfs/dbraw/zinc/49/91/43/806499143.db2.gz WSVNUYOSBHHNSS-YJBOKZPZSA-N 2 2 272.436 3.438 20 0 CGADLP CCOc1ccc([NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)cc1C ZINC001162466127 806591476 /nfs/dbraw/zinc/59/14/76/806591476.db2.gz MDFUJFCGBAFMIN-GJZGRUSLSA-N 2 2 276.424 3.441 20 0 CGADLP CC(C)c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001162983293 806690619 /nfs/dbraw/zinc/69/06/19/806690619.db2.gz AFBQONFLKYEZSU-WMLDXEAASA-N 2 2 288.439 3.420 20 0 CGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156170 798859768 /nfs/dbraw/zinc/85/97/68/798859768.db2.gz JCSAOKBSGMCPAO-INIZCTEOSA-N 2 2 287.407 3.096 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037643849 798871424 /nfs/dbraw/zinc/87/14/24/798871424.db2.gz QQEVUFJYFWZBOU-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037643849 798871430 /nfs/dbraw/zinc/87/14/30/798871430.db2.gz QQEVUFJYFWZBOU-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c2ccccc12 ZINC000094692734 798970798 /nfs/dbraw/zinc/97/07/98/798970798.db2.gz SNYJUDYVNZBABS-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c2ccccc12 ZINC000094692734 798970802 /nfs/dbraw/zinc/97/08/02/798970802.db2.gz SNYJUDYVNZBABS-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccoc1)[N@H+](C)Cc1ccccc1 ZINC000379649324 799350977 /nfs/dbraw/zinc/35/09/77/799350977.db2.gz OLPUSCNTMPDYKK-HNNXBMFYSA-N 2 2 272.392 3.280 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccoc1)[N@@H+](C)Cc1ccccc1 ZINC000379649324 799350983 /nfs/dbraw/zinc/35/09/83/799350983.db2.gz OLPUSCNTMPDYKK-HNNXBMFYSA-N 2 2 272.392 3.280 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC000381741079 799385572 /nfs/dbraw/zinc/38/55/72/799385572.db2.gz MAADLTOFCNBYSF-PBHICJAKSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC000381741079 799385580 /nfs/dbraw/zinc/38/55/80/799385580.db2.gz MAADLTOFCNBYSF-PBHICJAKSA-N 2 2 260.425 3.197 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)cc(C(C)C)[nH+]1 ZINC001163362032 806746322 /nfs/dbraw/zinc/74/63/22/806746322.db2.gz LWQRRWJFGHCOTE-UKRRQHHQSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1nc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)cc(C(C)C)[nH+]1 ZINC001163362032 806746323 /nfs/dbraw/zinc/74/63/23/806746323.db2.gz LWQRRWJFGHCOTE-UKRRQHHQSA-N 2 2 290.455 3.439 20 0 CGADLP C[N@H+](Cc1cnc2ccccc2c1)C1(C[NH3+])CCCCC1 ZINC000384760750 799419005 /nfs/dbraw/zinc/41/90/05/799419005.db2.gz LDMHXVROEPGXCQ-UHFFFAOYSA-N 2 2 283.419 3.328 20 0 CGADLP C[N@@H+](Cc1cnc2ccccc2c1)C1(C[NH3+])CCCCC1 ZINC000384760750 799419009 /nfs/dbraw/zinc/41/90/09/799419009.db2.gz LDMHXVROEPGXCQ-UHFFFAOYSA-N 2 2 283.419 3.328 20 0 CGADLP C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+]1CCCCC1 ZINC000388125156 799450369 /nfs/dbraw/zinc/45/03/69/799450369.db2.gz KVTPINLGKKLMKB-AWEZNQCLSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594663 799472205 /nfs/dbraw/zinc/47/22/05/799472205.db2.gz SCIDFBBCHRPFOY-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594663 799472208 /nfs/dbraw/zinc/47/22/08/799472208.db2.gz SCIDFBBCHRPFOY-DJIMGWMZSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001255783824 806749655 /nfs/dbraw/zinc/74/96/55/806749655.db2.gz JBSQXIAJBODTNY-OXJNMPFZSA-N 2 2 294.442 3.312 20 0 CGADLP Cc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001255783824 806749658 /nfs/dbraw/zinc/74/96/58/806749658.db2.gz JBSQXIAJBODTNY-OXJNMPFZSA-N 2 2 294.442 3.312 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2csc(Cl)c2)CC1 ZINC000393337151 799485982 /nfs/dbraw/zinc/48/59/82/799485982.db2.gz UGSBLAUPGUTCBZ-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001163370600 806751984 /nfs/dbraw/zinc/75/19/84/806751984.db2.gz LDWCTHRVWDDXSJ-WFASDCNBSA-N 2 2 288.439 3.193 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001163370600 806751987 /nfs/dbraw/zinc/75/19/87/806751987.db2.gz LDWCTHRVWDDXSJ-WFASDCNBSA-N 2 2 288.439 3.193 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC1(C)C ZINC000397744151 799519475 /nfs/dbraw/zinc/51/94/75/799519475.db2.gz AXGVFJNUSKUMJI-CJNGLKHVSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221525 799537076 /nfs/dbraw/zinc/53/70/76/799537076.db2.gz JEUAEKKOUJLVCR-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399221525 799537079 /nfs/dbraw/zinc/53/70/79/799537079.db2.gz JEUAEKKOUJLVCR-MFKMUULPSA-N 2 2 272.314 3.017 20 0 CGADLP Cc1[nH+]c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2n1C(C)C ZINC001163394196 806756522 /nfs/dbraw/zinc/75/65/22/806756522.db2.gz FUEVJCLRVTZTAE-KRWDZBQOSA-N 2 2 298.434 3.432 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(C)cc1 ZINC001255797700 806757151 /nfs/dbraw/zinc/75/71/51/806757151.db2.gz UCSBCYLDRVJIEU-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(C)cc1 ZINC001255797700 806757153 /nfs/dbraw/zinc/75/71/53/806757153.db2.gz UCSBCYLDRVJIEU-INIZCTEOSA-N 2 2 271.408 3.145 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCSCC1 ZINC000692483599 799795568 /nfs/dbraw/zinc/79/55/68/799795568.db2.gz NTVLJWRXQOZURW-ZIAGYGMSSA-N 2 2 281.469 3.173 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Cl)CC1 ZINC000695635281 799831164 /nfs/dbraw/zinc/83/11/64/799831164.db2.gz BRGZCEKKARCBDQ-VXGBXAGGSA-N 2 2 269.820 3.047 20 0 CGADLP c1ccc(N(C2CC[NH2+]CC2)C2CCCCCC2)[nH+]c1 ZINC001255894297 806787739 /nfs/dbraw/zinc/78/77/39/806787739.db2.gz YLMNJBFCAYCDCN-UHFFFAOYSA-N 2 2 273.424 3.363 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000705210390 799945628 /nfs/dbraw/zinc/94/56/28/799945628.db2.gz CDCWVKVDNMFDKV-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000705210390 799945634 /nfs/dbraw/zinc/94/56/34/799945634.db2.gz CDCWVKVDNMFDKV-DOTOQJQBSA-N 2 2 272.436 3.287 20 0 CGADLP c1ccc2c(c1)C[NH2+][C@H](C[NH+]1C3CCCC1CCC3)C2 ZINC000707187572 799975310 /nfs/dbraw/zinc/97/53/10/799975310.db2.gz UIEQPLPLOGUDCJ-AOCRQIFASA-N 2 2 270.420 3.108 20 0 CGADLP CC(C)Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC000709993467 800025783 /nfs/dbraw/zinc/02/57/83/800025783.db2.gz XQFDTJHEWSZUFF-UHFFFAOYSA-N 2 2 272.436 3.071 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000721630407 800297738 /nfs/dbraw/zinc/29/77/38/800297738.db2.gz FOSFRMJZFVMYDL-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP CNc1ccc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c[nH+]1 ZINC001163761229 806819606 /nfs/dbraw/zinc/81/96/06/806819606.db2.gz JRCMGKMALFGBSC-UHFFFAOYSA-N 2 2 280.375 3.143 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H](C)C1 ZINC000722392265 800320575 /nfs/dbraw/zinc/32/05/75/800320575.db2.gz SIBIMGOYYFMPTD-YRGRVCCFSA-N 2 2 281.469 3.119 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccn2)CC1 ZINC001256554880 806915683 /nfs/dbraw/zinc/91/56/83/806915683.db2.gz OCXXIOKNEHPDPH-UHFFFAOYSA-N 2 2 281.831 3.088 20 0 CGADLP Cc1ncccc1C[N@@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576600 806921118 /nfs/dbraw/zinc/92/11/18/806921118.db2.gz NFFINKVCGULYHC-UHFFFAOYSA-N 2 2 275.440 3.085 20 0 CGADLP Cc1ncccc1C[N@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576600 806921120 /nfs/dbraw/zinc/92/11/20/806921120.db2.gz NFFINKVCGULYHC-UHFFFAOYSA-N 2 2 275.440 3.085 20 0 CGADLP Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)oc1C ZINC001116310905 802329038 /nfs/dbraw/zinc/32/90/38/802329038.db2.gz CHZAHXHZNJPHFL-UHFFFAOYSA-N 2 2 296.330 3.038 20 0 CGADLP CCCC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001118571634 802586108 /nfs/dbraw/zinc/58/61/08/802586108.db2.gz DUJQDXMLBREODW-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP C1CC1C([NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC001256900703 807001713 /nfs/dbraw/zinc/00/17/13/807001713.db2.gz ADIWSTJKGKRGRI-OAHLLOKOSA-N 2 2 262.441 3.172 20 0 CGADLP C1CC1C([NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)C1CC1 ZINC001256900703 807001721 /nfs/dbraw/zinc/00/17/21/807001721.db2.gz ADIWSTJKGKRGRI-OAHLLOKOSA-N 2 2 262.441 3.172 20 0 CGADLP Cc1cn2c(cccc2-c2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC001243747163 802980847 /nfs/dbraw/zinc/98/08/47/802980847.db2.gz ILUJPLXPLBIFBA-UHFFFAOYSA-N 2 2 295.386 3.250 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cnccc3C3CC3)cc2)C1 ZINC001244283166 803278005 /nfs/dbraw/zinc/27/80/05/803278005.db2.gz FQMTZVGZWOERJZ-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cnccc3C3CC3)cc2)C1 ZINC001244283166 803278010 /nfs/dbraw/zinc/27/80/10/803278010.db2.gz FQMTZVGZWOERJZ-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP c1[nH+]cn(Cc2ccccc2)c1-c1ccc2c(c1)CC[NH2+]C2 ZINC001245198296 803661276 /nfs/dbraw/zinc/66/12/76/803661276.db2.gz ZIVHHQQUURKSJQ-UHFFFAOYSA-N 2 2 289.382 3.244 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846969 /nfs/dbraw/zinc/84/69/69/803846969.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 2 296.414 3.071 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846980 /nfs/dbraw/zinc/84/69/80/803846980.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846989 /nfs/dbraw/zinc/84/69/89/803846989.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 2 296.414 3.071 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)c4ccccc34)C[C@@H]21 ZINC001138062700 803846998 /nfs/dbraw/zinc/84/69/98/803846998.db2.gz WSWXDDJJZNXTRS-YJBOKZPZSA-N 2 2 296.414 3.071 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC001138547016 803964116 /nfs/dbraw/zinc/96/41/16/803964116.db2.gz AXSMRKXACKJJOU-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC001138547016 803964125 /nfs/dbraw/zinc/96/41/25/803964125.db2.gz AXSMRKXACKJJOU-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138756068 804032568 /nfs/dbraw/zinc/03/25/68/804032568.db2.gz WRLAWQJPXLIKJV-RHSMWYFYSA-N 2 2 292.492 3.474 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)s1 ZINC001138756068 804032574 /nfs/dbraw/zinc/03/25/74/804032574.db2.gz WRLAWQJPXLIKJV-RHSMWYFYSA-N 2 2 292.492 3.474 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246073925 804111722 /nfs/dbraw/zinc/11/17/22/804111722.db2.gz AZPAZQQWAPYPHY-FVQBIDKESA-N 2 2 260.425 3.491 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246084670 804118793 /nfs/dbraw/zinc/11/87/93/804118793.db2.gz GJOYSDPPEIYIML-PFSRBDOWSA-N 2 2 270.436 3.271 20 0 CGADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246090365 804122350 /nfs/dbraw/zinc/12/23/50/804122350.db2.gz FJUYJZCMKNCMSF-QZWWFDLISA-N 2 2 276.399 3.002 20 0 CGADLP c1cnc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2c1 ZINC001139164876 804146588 /nfs/dbraw/zinc/14/65/88/804146588.db2.gz UYYIMSQAQSBZFS-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)cc1 ZINC001246115783 804148421 /nfs/dbraw/zinc/14/84/21/804148421.db2.gz SSOBIJNNSPKRMO-OWCLPIDISA-N 2 2 292.492 3.453 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139191530 804154296 /nfs/dbraw/zinc/15/42/96/804154296.db2.gz VQCSIONIBLOQNI-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139191530 804154302 /nfs/dbraw/zinc/15/43/02/804154302.db2.gz VQCSIONIBLOQNI-UHFFFAOYSA-N 2 2 285.435 3.094 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246144764 804166859 /nfs/dbraw/zinc/16/68/59/804166859.db2.gz UYLKNYOUANKPLC-ATLSCFEFSA-N 2 2 290.451 3.273 20 0 CGADLP CCCC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC001246162725 804179296 /nfs/dbraw/zinc/17/92/96/804179296.db2.gz RDCILNYDXHHUGH-ZWKOTPCHSA-N 3 2 295.515 3.009 20 0 CGADLP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360351 804184038 /nfs/dbraw/zinc/18/40/38/804184038.db2.gz ORTGFGJPOVMJKR-KRWDZBQOSA-N 2 2 299.418 3.262 20 0 CGADLP COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360351 804184044 /nfs/dbraw/zinc/18/40/44/804184044.db2.gz ORTGFGJPOVMJKR-KRWDZBQOSA-N 2 2 299.418 3.262 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C[C@H]1C ZINC001246172698 804187470 /nfs/dbraw/zinc/18/74/70/804187470.db2.gz WKMOKTHJEUKLDS-INMHGKMJSA-N 2 2 260.425 3.191 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2OC)CC[NH2+]1 ZINC001246188302 804198522 /nfs/dbraw/zinc/19/85/22/804198522.db2.gz SCVPGISTSCUOPG-ZIAGYGMSSA-N 2 2 294.414 3.235 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246213394 804209861 /nfs/dbraw/zinc/20/98/61/804209861.db2.gz UVFZOFUZCNQABH-CHWSQXEVSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229066 804222221 /nfs/dbraw/zinc/22/22/21/804222221.db2.gz KABXLMIUAKZAEV-UWVGGRQHSA-N 2 2 290.304 3.075 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)ccc1Cl ZINC001246294419 804263797 /nfs/dbraw/zinc/26/37/97/804263797.db2.gz SFHBBXVQBHKVKH-AAEUAGOBSA-N 2 2 252.789 3.051 20 0 CGADLP CCCCCC1CCC([NH2+][C@@H](C)[C@H]2C[NH2+]CCO2)CC1 ZINC001246295972 804264240 /nfs/dbraw/zinc/26/42/40/804264240.db2.gz QGWSSNVICIJVMN-ZGRYLRDCSA-N 2 2 282.472 3.092 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246347290 804297876 /nfs/dbraw/zinc/29/78/76/804297876.db2.gz GQZMSNKPMDIPMR-DGCLKSJQSA-N 2 2 252.789 3.051 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c2ccccc12 ZINC001246347163 804297943 /nfs/dbraw/zinc/29/79/43/804297943.db2.gz PDGOYOIJKPYCLK-HNNXBMFYSA-N 2 2 284.403 3.080 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246348207 804298520 /nfs/dbraw/zinc/29/85/20/804298520.db2.gz IPKBJFMDPHDPQV-TZMCWYRMSA-N 2 2 266.816 3.441 20 0 CGADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC001246352076 804299500 /nfs/dbraw/zinc/29/95/00/804299500.db2.gz XLRRXZSGMNGACP-LLVKDONJSA-N 2 2 286.341 3.282 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC[NH2+]1 ZINC001246370293 804307178 /nfs/dbraw/zinc/30/71/78/804307178.db2.gz GFTHCPRPPRKOOL-VHDGCEQUSA-N 2 2 294.826 3.140 20 0 CGADLP Fc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246401418 804321146 /nfs/dbraw/zinc/32/11/46/804321146.db2.gz DLLSYWFQGNIMER-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C[NH2+]1 ZINC001246413186 804325191 /nfs/dbraw/zinc/32/51/91/804325191.db2.gz OBEIQKSXJSQAKA-GOEBONIOSA-N 2 2 297.402 3.104 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001140022246 804353690 /nfs/dbraw/zinc/35/36/90/804353690.db2.gz BZQRWSJFCXESGT-HOTGVXAUSA-N 2 2 281.403 3.413 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001140028653 804354969 /nfs/dbraw/zinc/35/49/69/804354969.db2.gz YXEPWMTVAHJKMU-OAHLLOKOSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001140028653 804354976 /nfs/dbraw/zinc/35/49/76/804354976.db2.gz YXEPWMTVAHJKMU-OAHLLOKOSA-N 2 2 287.382 3.362 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506737 804366195 /nfs/dbraw/zinc/36/61/95/804366195.db2.gz JKUVCSRRTPBRHR-BFHYXJOUSA-N 2 2 286.341 3.397 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC001246508801 804366590 /nfs/dbraw/zinc/36/65/90/804366590.db2.gz DTNMLRCIOHPEIU-QRTARXTBSA-N 2 2 290.451 3.499 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140168122 804391433 /nfs/dbraw/zinc/39/14/33/804391433.db2.gz QCQOZYDCVPQKKX-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140168122 804391440 /nfs/dbraw/zinc/39/14/40/804391440.db2.gz QCQOZYDCVPQKKX-UHFFFAOYSA-N 2 2 295.430 3.275 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246560571 804410605 /nfs/dbraw/zinc/41/06/05/804410605.db2.gz VPWVPYJEMODJOO-UMVBOHGHSA-N 2 2 296.455 3.366 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246560571 804410610 /nfs/dbraw/zinc/41/06/10/804410610.db2.gz VPWVPYJEMODJOO-UMVBOHGHSA-N 2 2 296.455 3.366 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@](F)(C[NH3+])C1)CC2 ZINC001246585125 804427462 /nfs/dbraw/zinc/42/74/62/804427462.db2.gz YRLUEBOHOLUBRJ-QZTJIDSGSA-N 2 2 290.426 3.005 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@](F)(C[NH3+])C1)CC2 ZINC001246585125 804427463 /nfs/dbraw/zinc/42/74/63/804427463.db2.gz YRLUEBOHOLUBRJ-QZTJIDSGSA-N 2 2 290.426 3.005 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246628566 804459152 /nfs/dbraw/zinc/45/91/52/804459152.db2.gz GOAZOKQBZADVKT-ULQDDVLXSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246628566 804459153 /nfs/dbraw/zinc/45/91/53/804459153.db2.gz GOAZOKQBZADVKT-ULQDDVLXSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1O ZINC001140576223 804464835 /nfs/dbraw/zinc/46/48/35/804464835.db2.gz MAYRLQFSLXWEEF-UHFFFAOYSA-N 2 2 288.435 3.151 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648734 804475532 /nfs/dbraw/zinc/47/55/32/804475532.db2.gz MQQKNLHYTFAYIT-RDBSUJKOSA-N 2 2 290.373 3.326 20 0 CGADLP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246648734 804475534 /nfs/dbraw/zinc/47/55/34/804475534.db2.gz MQQKNLHYTFAYIT-RDBSUJKOSA-N 2 2 290.373 3.326 20 0 CGADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246662499 804485039 /nfs/dbraw/zinc/48/50/39/804485039.db2.gz JWMBINCLVRINGY-BPQIPLTHSA-N 2 2 272.436 3.382 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001246662499 804485041 /nfs/dbraw/zinc/48/50/41/804485041.db2.gz JWMBINCLVRINGY-BPQIPLTHSA-N 2 2 272.436 3.382 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246680976 804494441 /nfs/dbraw/zinc/49/44/41/804494441.db2.gz YMIOZGHMUVNZNO-HUUCEWRRSA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc(SC[C@@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246680976 804494447 /nfs/dbraw/zinc/49/44/47/804494447.db2.gz YMIOZGHMUVNZNO-HUUCEWRRSA-N 2 2 278.465 3.159 20 0 CGADLP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2C[NH2+][C@@H](C)C2)CC1 ZINC001246745766 804501239 /nfs/dbraw/zinc/50/12/39/804501239.db2.gz GDYOIZAGYIPGIE-DOTOQJQBSA-N 2 2 284.447 3.025 20 0 CGADLP c1csc(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246791632 804515952 /nfs/dbraw/zinc/51/59/52/804515952.db2.gz RBIFULVARDEURJ-AWEZNQCLSA-N 2 2 264.438 3.070 20 0 CGADLP Cc1cccc2c1C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140802421 804520750 /nfs/dbraw/zinc/52/07/50/804520750.db2.gz VFVMSWLDAHWNCO-UHFFFAOYSA-N 2 2 263.344 3.387 20 0 CGADLP Clc1ccc2c(n1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140807243 804523700 /nfs/dbraw/zinc/52/37/00/804523700.db2.gz RPXDSLKWLNTFKE-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP Clc1ccc2c(n1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140807243 804523705 /nfs/dbraw/zinc/52/37/05/804523705.db2.gz RPXDSLKWLNTFKE-UHFFFAOYSA-N 2 2 298.777 3.170 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246808713 804527508 /nfs/dbraw/zinc/52/75/08/804527508.db2.gz YMFVAFWOKIIBAR-ICSRJNTNSA-N 2 2 292.426 3.386 20 0 CGADLP c1ccc([C@H]2c3ccccc3CC[N@@H+]2[C@H]2CCC[NH2+]C2)cc1 ZINC001246808713 804527512 /nfs/dbraw/zinc/52/75/12/804527512.db2.gz YMFVAFWOKIIBAR-ICSRJNTNSA-N 2 2 292.426 3.386 20 0 CGADLP c1ccc(C[N@H+](C2CCCCC2)[C@H]2CCCC[NH2+]C2)nc1 ZINC001246843252 804551732 /nfs/dbraw/zinc/55/17/32/804551732.db2.gz BWFPKAXKKWQSAF-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP c1ccc(C[N@@H+](C2CCCCC2)[C@H]2CCCC[NH2+]C2)nc1 ZINC001246843252 804551735 /nfs/dbraw/zinc/55/17/35/804551735.db2.gz BWFPKAXKKWQSAF-SFHVURJKSA-N 2 2 287.451 3.358 20 0 CGADLP C[C@@H]1CC([N@@H+]2CCc3cccc(Cl)c3C2)C[C@@H](C)[NH2+]1 ZINC001246875448 804575138 /nfs/dbraw/zinc/57/51/38/804575138.db2.gz VXXRUYQIELKUDB-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1CC([N@H+]2CCc3cccc(Cl)c3C2)C[C@@H](C)[NH2+]1 ZINC001246875448 804575144 /nfs/dbraw/zinc/57/51/44/804575144.db2.gz VXXRUYQIELKUDB-VXGBXAGGSA-N 2 2 278.827 3.227 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246940572 804610377 /nfs/dbraw/zinc/61/03/77/804610377.db2.gz WZGKFBVFBIQEQP-SQWLQELKSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001246940572 804610383 /nfs/dbraw/zinc/61/03/83/804610383.db2.gz WZGKFBVFBIQEQP-SQWLQELKSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246944917 804612470 /nfs/dbraw/zinc/61/24/70/804612470.db2.gz UGNGRPOIBZBUGX-XIRDDKMYSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246944917 804612474 /nfs/dbraw/zinc/61/24/74/804612474.db2.gz UGNGRPOIBZBUGX-XIRDDKMYSA-N 2 2 258.409 3.191 20 0 CGADLP CC[C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952299 804615355 /nfs/dbraw/zinc/61/53/55/804615355.db2.gz JAWSJADGPHBRNH-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246952299 804615361 /nfs/dbraw/zinc/61/53/61/804615361.db2.gz JAWSJADGPHBRNH-SZMVWBNQSA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246962741 804619276 /nfs/dbraw/zinc/61/92/76/804619276.db2.gz KNPMRWQKTBACON-ZJPYXAASSA-N 2 2 299.462 3.070 20 0 CGADLP CC1(C)[C@@H]2C[C@H]([N@@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246962741 804619280 /nfs/dbraw/zinc/61/92/80/804619280.db2.gz KNPMRWQKTBACON-ZJPYXAASSA-N 2 2 299.462 3.070 20 0 CGADLP CCC[NH+](CCC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237191 804620769 /nfs/dbraw/zinc/62/07/69/804620769.db2.gz NNHHCWXCERQUHX-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccn1 ZINC001141242901 804622445 /nfs/dbraw/zinc/62/24/45/804622445.db2.gz NSZLWRQFCLECGN-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccn1 ZINC001141242901 804622449 /nfs/dbraw/zinc/62/24/49/804622449.db2.gz NSZLWRQFCLECGN-UHFFFAOYSA-N 2 2 292.386 3.289 20 0 CGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001246997762 804633157 /nfs/dbraw/zinc/63/31/57/804633157.db2.gz BQZXLAWBLYCGRR-HZPDHXFCSA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC001246997762 804633159 /nfs/dbraw/zinc/63/31/59/804633159.db2.gz BQZXLAWBLYCGRR-HZPDHXFCSA-N 2 2 288.435 3.015 20 0 CGADLP C[N@@H+]1CCC[C@H](CCNc2ccc(C3CC3)c[nH+]2)C1 ZINC001165290695 806988570 /nfs/dbraw/zinc/98/85/70/806988570.db2.gz WYICRQUNBAUZFT-CYBMUJFWSA-N 2 2 259.397 3.103 20 0 CGADLP C[N@H+]1CCC[C@H](CCNc2ccc(C3CC3)c[nH+]2)C1 ZINC001165290695 806988573 /nfs/dbraw/zinc/98/85/73/806988573.db2.gz WYICRQUNBAUZFT-CYBMUJFWSA-N 2 2 259.397 3.103 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(Cl)c3C)C[C@@H]2C1 ZINC001250207740 805490211 /nfs/dbraw/zinc/49/02/11/805490211.db2.gz ZMTPLRZYFAQKLL-HOTGVXAUSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1cccc2c(C)cc(N3CCC(F)(C[NH3+])CC3)[nH+]c12 ZINC001165262376 806983585 /nfs/dbraw/zinc/98/35/85/806983585.db2.gz JLBSJMBBQDNYHV-UHFFFAOYSA-N 2 2 287.382 3.119 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001257213749 807062459 /nfs/dbraw/zinc/06/24/59/807062459.db2.gz ULFAVKZPPKWCMA-UHFFFAOYSA-N 2 2 295.858 3.433 20 0 CGADLP CCC[C@H](CC)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257272368 807085787 /nfs/dbraw/zinc/08/57/87/807085787.db2.gz WTVBIZFYDMFNND-LSDHHAIUSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](CC)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257272368 807085794 /nfs/dbraw/zinc/08/57/94/807085794.db2.gz WTVBIZFYDMFNND-LSDHHAIUSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321725 807106440 /nfs/dbraw/zinc/10/64/40/807106440.db2.gz NMZCTCYDVWZDGT-KKUMJFAQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001257321725 807106443 /nfs/dbraw/zinc/10/64/43/807106443.db2.gz NMZCTCYDVWZDGT-KKUMJFAQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001257321725 807106448 /nfs/dbraw/zinc/10/64/48/807106448.db2.gz NMZCTCYDVWZDGT-KKUMJFAQSA-N 2 2 293.480 3.228 20 0 CGADLP CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001257321725 807106450 /nfs/dbraw/zinc/10/64/50/807106450.db2.gz NMZCTCYDVWZDGT-KKUMJFAQSA-N 2 2 293.480 3.228 20 0 CGADLP C[NH2+]Cc1cn(-c2nc(C)[nH+]c(C)c2C)c2ccc(C)cc12 ZINC001167122894 807155317 /nfs/dbraw/zinc/15/53/17/807155317.db2.gz PTUHRWYIDGSFHR-UHFFFAOYSA-N 2 2 294.402 3.374 20 0 CGADLP CC1(C)CCC[C@@H]([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299043 807403521 /nfs/dbraw/zinc/40/35/21/807403521.db2.gz XHZBRGYBJFCMRI-OWCLPIDISA-N 2 2 282.447 3.463 20 0 CGADLP CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C1 ZINC001258299043 807403525 /nfs/dbraw/zinc/40/35/25/807403525.db2.gz XHZBRGYBJFCMRI-OWCLPIDISA-N 2 2 282.447 3.463 20 0 CGADLP CCCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258432626 807448591 /nfs/dbraw/zinc/44/85/91/807448591.db2.gz DEWYSQMSCLKPBZ-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258432626 807448593 /nfs/dbraw/zinc/44/85/93/807448593.db2.gz DEWYSQMSCLKPBZ-CVEARBPZSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1ccc(N([C@H](C)CC2CC2)C2CC[NH2+]CC2)[nH+]c1 ZINC001258471088 807469908 /nfs/dbraw/zinc/46/99/08/807469908.db2.gz VZTQDPFGLUXKQG-CQSZACIVSA-N 2 2 273.424 3.137 20 0 CGADLP CCCC1CCC([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001258533641 807488513 /nfs/dbraw/zinc/48/85/13/807488513.db2.gz DHSLYJAMOHGJQH-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001258533641 807488518 /nfs/dbraw/zinc/48/85/18/807488518.db2.gz DHSLYJAMOHGJQH-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001258533641 807488521 /nfs/dbraw/zinc/48/85/21/807488521.db2.gz DHSLYJAMOHGJQH-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001258533641 807488526 /nfs/dbraw/zinc/48/85/26/807488526.db2.gz DHSLYJAMOHGJQH-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001258650665 807522181 /nfs/dbraw/zinc/52/21/81/807522181.db2.gz DMTMCASONOMWGS-ZWKOTPCHSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001258650665 807522184 /nfs/dbraw/zinc/52/21/84/807522184.db2.gz DMTMCASONOMWGS-ZWKOTPCHSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)n1c[nH+]c(C)c1CC[NH3+] ZINC001258649682 807522347 /nfs/dbraw/zinc/52/23/47/807522347.db2.gz NOODLYOZGUCNAD-MRXNPFEDSA-N 2 2 271.408 3.277 20 0 CGADLP Cc1cc[nH+]c2cc(N(CC[NH3+])c3cccnc3)ccc12 ZINC001168836574 807523232 /nfs/dbraw/zinc/52/32/32/807523232.db2.gz OODLYILATXBBHG-UHFFFAOYSA-N 2 2 278.359 3.035 20 0 CGADLP Cc1[nH]c2ccc(NCCc3cn4ccccc4[nH+]3)cc2[nH+]1 ZINC001169005791 807550096 /nfs/dbraw/zinc/55/00/96/807550096.db2.gz YGMWRCZAMJPZMB-UHFFFAOYSA-N 2 2 291.358 3.174 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC001169084241 807569132 /nfs/dbraw/zinc/56/91/32/807569132.db2.gz IBMPAIOLPSPGHP-LJQANCHMSA-N 2 2 286.463 3.424 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[NH+]2CCC1CC2 ZINC001169084241 807569133 /nfs/dbraw/zinc/56/91/33/807569133.db2.gz IBMPAIOLPSPGHP-LJQANCHMSA-N 2 2 286.463 3.424 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[NH+]1CCCCC1 ZINC001258736698 807583618 /nfs/dbraw/zinc/58/36/18/807583618.db2.gz YVSFSMIROOHVBN-AWEZNQCLSA-N 2 2 280.843 3.347 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258743514 807587732 /nfs/dbraw/zinc/58/77/32/807587732.db2.gz FXCIGRGLRPXQNK-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258743514 807587737 /nfs/dbraw/zinc/58/77/37/807587737.db2.gz FXCIGRGLRPXQNK-CZUORRHYSA-N 2 2 280.843 3.345 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145976 807592375 /nfs/dbraw/zinc/59/23/75/807592375.db2.gz NSYZZVWZNHQLTD-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145976 807592380 /nfs/dbraw/zinc/59/23/80/807592380.db2.gz NSYZZVWZNHQLTD-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145976 807592389 /nfs/dbraw/zinc/59/23/89/807592389.db2.gz NSYZZVWZNHQLTD-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3c(Cl)cccc3C1)C2 ZINC001169145976 807592394 /nfs/dbraw/zinc/59/23/94/807592394.db2.gz NSYZZVWZNHQLTD-FICVDOATSA-N 2 2 290.838 3.323 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](c2cccnc2F)C2CC2)CC1 ZINC001258770882 807603992 /nfs/dbraw/zinc/60/39/92/807603992.db2.gz TXMBQZKUQKIJCC-INIZCTEOSA-N 2 2 291.414 3.136 20 0 CGADLP CCC[NH+]1CCC([NH+]2CCC3(CCOC3(C)C)CC2)CC1 ZINC001258776454 807607010 /nfs/dbraw/zinc/60/70/10/807607010.db2.gz BOFSIWSVKDKRGN-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001169255852 807616266 /nfs/dbraw/zinc/61/62/66/807616266.db2.gz VCOUXQHBOGOCSS-KRWDZBQOSA-N 2 2 273.424 3.093 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001169255852 807616270 /nfs/dbraw/zinc/61/62/70/807616270.db2.gz VCOUXQHBOGOCSS-KRWDZBQOSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820846 807637573 /nfs/dbraw/zinc/63/75/73/807637573.db2.gz PFAUCXGLHBDLHL-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820846 807637576 /nfs/dbraw/zinc/63/75/76/807637576.db2.gz PFAUCXGLHBDLHL-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820846 807637577 /nfs/dbraw/zinc/63/75/77/807637577.db2.gz PFAUCXGLHBDLHL-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)C1 ZINC001258820846 807637582 /nfs/dbraw/zinc/63/75/82/807637582.db2.gz PFAUCXGLHBDLHL-YSHGAJCASA-N 2 2 299.462 3.024 20 0 CGADLP CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001169496623 807653755 /nfs/dbraw/zinc/65/37/55/807653755.db2.gz UPYXSVNWBQLNMN-ZBFHGGJFSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001169496623 807653761 /nfs/dbraw/zinc/65/37/61/807653761.db2.gz UPYXSVNWBQLNMN-ZBFHGGJFSA-N 2 2 269.392 3.493 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(N(C)C(C)(C)C[NH3+])c1 ZINC001170060633 807743373 /nfs/dbraw/zinc/74/33/73/807743373.db2.gz UPNJULLUDQBZJZ-UHFFFAOYSA-N 2 2 263.429 3.015 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171338798 808031574 /nfs/dbraw/zinc/03/15/74/808031574.db2.gz GIXVFGREBHGBOR-HNNXBMFYSA-N 2 2 275.440 3.395 20 0 CGADLP CC(=O)[C@H]1CCCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642275 808111608 /nfs/dbraw/zinc/11/16/08/808111608.db2.gz IJDSCENGXSOCDM-OAHLLOKOSA-N 2 2 280.456 3.081 20 0 CGADLP CC(=O)[C@H]1CCCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171642275 808111611 /nfs/dbraw/zinc/11/16/11/808111611.db2.gz IJDSCENGXSOCDM-OAHLLOKOSA-N 2 2 280.456 3.081 20 0 CGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171854051 808149486 /nfs/dbraw/zinc/14/94/86/808149486.db2.gz YTUYEVLMUIFUPT-CYJAXWMASA-N 2 2 286.463 3.282 20 0 CGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171854051 808149489 /nfs/dbraw/zinc/14/94/89/808149489.db2.gz YTUYEVLMUIFUPT-CYJAXWMASA-N 2 2 286.463 3.282 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccc(C)o1 ZINC001172247405 808209271 /nfs/dbraw/zinc/20/92/71/808209271.db2.gz JDJGOQRJMCAJKT-MRXNPFEDSA-N 2 2 294.439 3.130 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172335485 808237368 /nfs/dbraw/zinc/23/73/68/808237368.db2.gz JYDOLUHYXPGSRY-OAGGEKHMSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172335485 808237371 /nfs/dbraw/zinc/23/73/71/808237371.db2.gz JYDOLUHYXPGSRY-OAGGEKHMSA-N 2 2 284.488 3.290 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172354932 808250790 /nfs/dbraw/zinc/25/07/90/808250790.db2.gz TVBCANVKKRFTIT-CABCVRRESA-N 2 2 279.428 3.114 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172392615 808284261 /nfs/dbraw/zinc/28/42/61/808284261.db2.gz FYZXRCZFLMTLTD-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172392615 808284265 /nfs/dbraw/zinc/28/42/65/808284265.db2.gz FYZXRCZFLMTLTD-LSDHHAIUSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1[nH+]cn([C@@H](C)CCOCC(C)C)c1CSCC[NH3+] ZINC001172458550 808328702 /nfs/dbraw/zinc/32/87/02/808328702.db2.gz FERVGQKKHVNICQ-ZDUSSCGKSA-N 2 2 299.484 3.007 20 0 CGADLP CC(C)COCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172460901 808330628 /nfs/dbraw/zinc/33/06/28/808330628.db2.gz VTWCHBJYEQUFBV-DLBZAZTESA-N 2 2 284.488 3.148 20 0 CGADLP CC(C)COCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172460903 808330959 /nfs/dbraw/zinc/33/09/59/808330959.db2.gz VTWCHBJYEQUFBV-IAGOWNOFSA-N 2 2 284.488 3.148 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172549493 808379501 /nfs/dbraw/zinc/37/95/01/808379501.db2.gz RKNAWVZZLXWJNG-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172549493 808379509 /nfs/dbraw/zinc/37/95/09/808379509.db2.gz RKNAWVZZLXWJNG-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172837146 808453420 /nfs/dbraw/zinc/45/34/20/808453420.db2.gz FHEYNDSHSNELQJ-LBPRGKRZSA-N 2 2 286.822 3.342 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172837793 808453833 /nfs/dbraw/zinc/45/38/33/808453833.db2.gz PHGXQKAPHXXINE-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172837793 808453835 /nfs/dbraw/zinc/45/38/35/808453835.db2.gz PHGXQKAPHXXINE-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172860422 808465020 /nfs/dbraw/zinc/46/50/20/808465020.db2.gz CULSSIXGQRBESD-IUODEOHRSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172860422 808465023 /nfs/dbraw/zinc/46/50/23/808465023.db2.gz CULSSIXGQRBESD-IUODEOHRSA-N 2 2 298.833 3.482 20 0 CGADLP CC(C)[N@H+](CC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874944 808472399 /nfs/dbraw/zinc/47/23/99/808472399.db2.gz JMIAKFIPNRSOHM-GFCCVEGCSA-N 2 2 286.872 3.490 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874944 808472403 /nfs/dbraw/zinc/47/24/03/808472403.db2.gz JMIAKFIPNRSOHM-GFCCVEGCSA-N 2 2 286.872 3.490 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045255 808500108 /nfs/dbraw/zinc/50/01/08/808500108.db2.gz PIXBPTNPBACYFR-KRWDZBQOSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173045255 808500113 /nfs/dbraw/zinc/50/01/13/808500113.db2.gz PIXBPTNPBACYFR-KRWDZBQOSA-N 2 2 294.483 3.046 20 0 CGADLP COc1cc(Nc2ccc3[nH]c(C)[nH+]c3c2)cc(C)[nH+]1 ZINC001213072412 815222191 /nfs/dbraw/zinc/22/21/91/815222191.db2.gz RUOUQWKCIQISRW-UHFFFAOYSA-N 2 2 268.320 3.327 20 0 CGADLP CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3scnc3C)C2)C1 ZINC001275085193 808906205 /nfs/dbraw/zinc/90/62/05/808906205.db2.gz ONJXCXBYQRDWRT-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3scnc3C)C2)C1 ZINC001275085193 808906212 /nfs/dbraw/zinc/90/62/12/808906212.db2.gz ONJXCXBYQRDWRT-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001275085193 808906221 /nfs/dbraw/zinc/90/62/21/808906221.db2.gz ONJXCXBYQRDWRT-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3scnc3C)C2)C1 ZINC001275085193 808906231 /nfs/dbraw/zinc/90/62/31/808906231.db2.gz ONJXCXBYQRDWRT-INIZCTEOSA-N 2 2 293.480 3.149 20 0 CGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1csc3ccccc13)C2 ZINC001275316086 808928541 /nfs/dbraw/zinc/92/85/41/808928541.db2.gz YRLJKHMCIIXVLV-OCCSQVGLSA-N 2 2 272.417 3.037 20 0 CGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1csc3ccccc13)C2 ZINC001275316086 808928547 /nfs/dbraw/zinc/92/85/47/808928547.db2.gz YRLJKHMCIIXVLV-OCCSQVGLSA-N 2 2 272.417 3.037 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc3ccccc13)C2 ZINC001275316086 808928550 /nfs/dbraw/zinc/92/85/50/808928550.db2.gz YRLJKHMCIIXVLV-OCCSQVGLSA-N 2 2 272.417 3.037 20 0 CGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc3ccccc13)C2 ZINC001275316086 808928553 /nfs/dbraw/zinc/92/85/53/808928553.db2.gz YRLJKHMCIIXVLV-OCCSQVGLSA-N 2 2 272.417 3.037 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3cn1)C2 ZINC001275891342 808973589 /nfs/dbraw/zinc/97/35/89/808973589.db2.gz XUNBFYHXBBBVFG-IBGZPJMESA-N 2 2 295.430 3.153 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3cn1)C2 ZINC001275891342 808973594 /nfs/dbraw/zinc/97/35/94/808973594.db2.gz XUNBFYHXBBBVFG-IBGZPJMESA-N 2 2 295.430 3.153 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3cn1)C2 ZINC001275891342 808973598 /nfs/dbraw/zinc/97/35/98/808973598.db2.gz XUNBFYHXBBBVFG-IBGZPJMESA-N 2 2 295.430 3.153 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3cn1)C2 ZINC001275891342 808973600 /nfs/dbraw/zinc/97/36/00/808973600.db2.gz XUNBFYHXBBBVFG-IBGZPJMESA-N 2 2 295.430 3.153 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001176976968 809772341 /nfs/dbraw/zinc/77/23/41/809772341.db2.gz HJIUNQQECUGUJY-UHFFFAOYSA-N 2 2 289.810 3.453 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC001179177980 809908326 /nfs/dbraw/zinc/90/83/26/809908326.db2.gz MXPMWXNUGQASIS-GOEBONIOSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC001179177980 809908332 /nfs/dbraw/zinc/90/83/32/809908332.db2.gz MXPMWXNUGQASIS-GOEBONIOSA-N 2 2 252.446 3.277 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CC1(Cl)Cl ZINC001181506025 810056807 /nfs/dbraw/zinc/05/68/07/810056807.db2.gz NEESXHCACJGRGC-GFCCVEGCSA-N 2 2 281.271 3.234 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CC1(Cl)Cl ZINC001181506025 810056805 /nfs/dbraw/zinc/05/68/05/810056805.db2.gz NEESXHCACJGRGC-GFCCVEGCSA-N 2 2 281.271 3.234 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001183066197 810136082 /nfs/dbraw/zinc/13/60/82/810136082.db2.gz VLUDFWLYRDNIRV-CZUORRHYSA-N 2 2 294.414 3.084 20 0 CGADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(O)c(F)c1 ZINC001183066197 810136087 /nfs/dbraw/zinc/13/60/87/810136087.db2.gz VLUDFWLYRDNIRV-CZUORRHYSA-N 2 2 294.414 3.084 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183378818 810147588 /nfs/dbraw/zinc/14/75/88/810147588.db2.gz FMXPGABWUFONFM-FVQBIDKESA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183378818 810147591 /nfs/dbraw/zinc/14/75/91/810147591.db2.gz FMXPGABWUFONFM-FVQBIDKESA-N 2 2 282.497 3.125 20 0 CGADLP c1cc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc[nH+]1 ZINC001201408882 811834260 /nfs/dbraw/zinc/83/42/60/811834260.db2.gz LLQBKSMMHPAAHC-OAHLLOKOSA-N 2 2 272.392 3.281 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001202987298 812214293 /nfs/dbraw/zinc/21/42/93/812214293.db2.gz WYBQBUQLXUIFGN-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001202987298 812214299 /nfs/dbraw/zinc/21/42/99/812214299.db2.gz WYBQBUQLXUIFGN-VQHPVUNQSA-N 2 2 264.457 3.419 20 0 CGADLP c1coc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283754 812292460 /nfs/dbraw/zinc/29/24/60/812292460.db2.gz MQXQZYCIUJSFGH-ROUUACIJSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283754 812292462 /nfs/dbraw/zinc/29/24/62/812292462.db2.gz MQXQZYCIUJSFGH-ROUUACIJSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283754 812292464 /nfs/dbraw/zinc/29/24/64/812292464.db2.gz MQXQZYCIUJSFGH-ROUUACIJSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001203283754 812292465 /nfs/dbraw/zinc/29/24/65/812292465.db2.gz MQXQZYCIUJSFGH-ROUUACIJSA-N 2 2 296.414 3.234 20 0 CGADLP CNc1ccc(Nc2cc(C)[nH+]c3ccccc23)c[nH+]1 ZINC001203447944 812358359 /nfs/dbraw/zinc/35/83/59/812358359.db2.gz RGZDVUNNLSFIGS-UHFFFAOYSA-N 2 2 264.332 3.145 20 0 CGADLP CC(C)c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204169265 812563115 /nfs/dbraw/zinc/56/31/15/812563115.db2.gz LVRNWWIOJHNSSN-UHFFFAOYSA-N 2 2 272.436 3.480 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001204174756 812566120 /nfs/dbraw/zinc/56/61/20/812566120.db2.gz AXSAGBGURPALFB-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001204174756 812566126 /nfs/dbraw/zinc/56/61/26/812566126.db2.gz AXSAGBGURPALFB-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP CC(C)[N@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001205304442 812942370 /nfs/dbraw/zinc/94/23/70/812942370.db2.gz FCIVLLOILACXDP-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001205304442 812942373 /nfs/dbraw/zinc/94/23/73/812942373.db2.gz FCIVLLOILACXDP-UHFFFAOYSA-N 2 2 285.435 3.473 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205780970 813074523 /nfs/dbraw/zinc/07/45/23/813074523.db2.gz UQEWMDMQMYIUHX-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205780970 813074532 /nfs/dbraw/zinc/07/45/32/813074532.db2.gz UQEWMDMQMYIUHX-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1F ZINC001205828435 813100497 /nfs/dbraw/zinc/10/04/97/813100497.db2.gz LBDQLJMQDUIUSQ-NHYWBVRUSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1F ZINC001205828435 813100502 /nfs/dbraw/zinc/10/05/02/813100502.db2.gz LBDQLJMQDUIUSQ-NHYWBVRUSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840547 813103748 /nfs/dbraw/zinc/10/37/48/813103748.db2.gz HUUFOKIVFJOSQW-DOMZBBRYSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840547 813103753 /nfs/dbraw/zinc/10/37/53/813103753.db2.gz HUUFOKIVFJOSQW-DOMZBBRYSA-N 2 2 274.433 3.461 20 0 CGADLP CCSc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205853689 813108480 /nfs/dbraw/zinc/10/84/80/813108480.db2.gz IWWARDFUIHBSCG-DZGCQCFKSA-N 2 2 278.465 3.358 20 0 CGADLP CCSc1ccccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205853689 813108485 /nfs/dbraw/zinc/10/84/85/813108485.db2.gz IWWARDFUIHBSCG-DZGCQCFKSA-N 2 2 278.465 3.358 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205855935 813109802 /nfs/dbraw/zinc/10/98/02/813109802.db2.gz QQMZFUMYCWTSLT-ABAIWWIYSA-N 2 2 264.388 3.002 20 0 CGADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205855935 813109810 /nfs/dbraw/zinc/10/98/10/813109810.db2.gz QQMZFUMYCWTSLT-ABAIWWIYSA-N 2 2 264.388 3.002 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@@H]1[NH3+] ZINC001205872317 813116590 /nfs/dbraw/zinc/11/65/90/813116590.db2.gz KGGOTFGHXJBOHI-KUHUBIRLSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc(N(C)C)ccc3c2)C[C@@H]1[NH3+] ZINC001205872317 813116594 /nfs/dbraw/zinc/11/65/94/813116594.db2.gz KGGOTFGHXJBOHI-KUHUBIRLSA-N 2 2 297.446 3.075 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916243 813132976 /nfs/dbraw/zinc/13/29/76/813132976.db2.gz UAYAOLSZIQKIGZ-GXSJLCMTSA-N 2 2 292.370 3.326 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1csc(C(F)(F)F)c1 ZINC001205916243 813132980 /nfs/dbraw/zinc/13/29/80/813132980.db2.gz UAYAOLSZIQKIGZ-GXSJLCMTSA-N 2 2 292.370 3.326 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]([NH3+])C2)cc1C(C)C ZINC001205932048 813139159 /nfs/dbraw/zinc/13/91/59/813139159.db2.gz OKBJFTRUNUPHEI-MRXNPFEDSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@@H]([NH3+])C2)cc1C(C)C ZINC001205932048 813139161 /nfs/dbraw/zinc/13/91/61/813139161.db2.gz OKBJFTRUNUPHEI-MRXNPFEDSA-N 2 2 290.451 3.440 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2)o1 ZINC001206043390 813178206 /nfs/dbraw/zinc/17/82/06/813178206.db2.gz BKNJESHKBGGJGT-CXAGYDPISA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2)o1 ZINC001206043390 813178209 /nfs/dbraw/zinc/17/82/09/813178209.db2.gz BKNJESHKBGGJGT-CXAGYDPISA-N 2 2 284.403 3.424 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206043720 813179849 /nfs/dbraw/zinc/17/98/49/813179849.db2.gz UMFXIEQRIZZXGJ-RHSMWYFYSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206043720 813179852 /nfs/dbraw/zinc/17/98/52/813179852.db2.gz UMFXIEQRIZZXGJ-RHSMWYFYSA-N 2 2 260.425 3.198 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[NH2+]C[C@@H]2C)cc1C(C)C ZINC001206263381 813262430 /nfs/dbraw/zinc/26/24/30/813262430.db2.gz WBPPVXYCFMAOIK-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[NH2+]C[C@@H]2C)cc1C(C)C ZINC001206263381 813262433 /nfs/dbraw/zinc/26/24/33/813262433.db2.gz WBPPVXYCFMAOIK-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3occc3c2)C1 ZINC001206352022 813299676 /nfs/dbraw/zinc/29/96/76/813299676.db2.gz MJQXSMKGHRTFLV-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001206352022 813299681 /nfs/dbraw/zinc/29/96/81/813299681.db2.gz MJQXSMKGHRTFLV-INIZCTEOSA-N 2 2 276.355 3.086 20 0 CGADLP Cc1cc(CC(C)C)[nH+]cc1Nc1cc[nH+]c(N)c1 ZINC001206543106 813344135 /nfs/dbraw/zinc/34/41/35/813344135.db2.gz QUJWADMGQGUVDP-UHFFFAOYSA-N 2 2 256.353 3.309 20 0 CGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206737129 813414268 /nfs/dbraw/zinc/41/42/68/813414268.db2.gz OPVPAZDOMUWKHP-UHFFFAOYSA-N 2 2 299.353 3.295 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597548 813606014 /nfs/dbraw/zinc/60/60/14/813606014.db2.gz KZPXYFUHCRTVGH-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597548 813606021 /nfs/dbraw/zinc/60/60/21/813606021.db2.gz KZPXYFUHCRTVGH-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597548 813606028 /nfs/dbraw/zinc/60/60/28/813606028.db2.gz KZPXYFUHCRTVGH-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597548 813606034 /nfs/dbraw/zinc/60/60/34/813606034.db2.gz KZPXYFUHCRTVGH-DOTOQJQBSA-N 2 2 292.854 3.299 20 0 CGADLP CC[N@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207612077 813613137 /nfs/dbraw/zinc/61/31/37/813613137.db2.gz UCVGRJVWDWXIOO-UHFFFAOYSA-N 2 2 274.452 3.425 20 0 CGADLP CC[N@@H+](CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC001207612077 813613143 /nfs/dbraw/zinc/61/31/43/813613143.db2.gz UCVGRJVWDWXIOO-UHFFFAOYSA-N 2 2 274.452 3.425 20 0 CGADLP CCNc1ccccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC001207742558 813643598 /nfs/dbraw/zinc/64/35/98/813643598.db2.gz WJGRQZNXOAYKEF-UHFFFAOYSA-N 2 2 287.451 3.225 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773359 /nfs/dbraw/zinc/77/33/59/813773359.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773365 /nfs/dbraw/zinc/77/33/65/813773365.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773370 /nfs/dbraw/zinc/77/33/70/813773370.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773373 /nfs/dbraw/zinc/77/33/73/813773373.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773785 /nfs/dbraw/zinc/77/37/85/813773785.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773792 /nfs/dbraw/zinc/77/37/92/813773792.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773794 /nfs/dbraw/zinc/77/37/94/813773794.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773800 /nfs/dbraw/zinc/77/38/00/813773800.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CC=C(Nc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC001208843859 813864043 /nfs/dbraw/zinc/86/40/43/813864043.db2.gz JJVVGJGCZXAPJW-UHFFFAOYSA-N 2 2 271.408 3.308 20 0 CGADLP C[N@@H+]1CC=C(Nc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC001208843859 813864053 /nfs/dbraw/zinc/86/40/53/813864053.db2.gz JJVVGJGCZXAPJW-UHFFFAOYSA-N 2 2 271.408 3.308 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1(C)CCCCC1 ZINC001208900310 813887953 /nfs/dbraw/zinc/88/79/53/813887953.db2.gz RXBNJTGQZNRPHT-UHFFFAOYSA-N 3 2 297.531 3.162 20 0 CGADLP CC(C)[N@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001209247246 813981974 /nfs/dbraw/zinc/98/19/74/813981974.db2.gz JWEPKASNSYCZPR-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP CC(C)[N@@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001209247246 813981978 /nfs/dbraw/zinc/98/19/78/813981978.db2.gz JWEPKASNSYCZPR-UHFFFAOYSA-N 2 2 296.405 3.312 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cnc1-c1ccccc1 ZINC001210519854 814505063 /nfs/dbraw/zinc/50/50/63/814505063.db2.gz UBEJGTRCGPSPPL-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cnc1-c1ccccc1 ZINC001210519854 814505067 /nfs/dbraw/zinc/50/50/67/814505067.db2.gz UBEJGTRCGPSPPL-INIZCTEOSA-N 2 2 295.430 3.241 20 0 CGADLP CCCCCCOc1ccc(C[NH+]2CC(C[NH3+])C2)cc1 ZINC001210542962 814517668 /nfs/dbraw/zinc/51/76/68/814517668.db2.gz DNIAZULIPCUGEQ-UHFFFAOYSA-N 2 2 276.424 3.036 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc3[nH+]c(C)cn32)c1 ZINC001211134532 814758213 /nfs/dbraw/zinc/75/82/13/814758213.db2.gz NPPDWFGQWLBGRZ-UHFFFAOYSA-N 2 2 266.348 3.106 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001211138971 814837152 /nfs/dbraw/zinc/83/71/52/814837152.db2.gz XVJWBWHLYUJPKL-UHFFFAOYSA-N 2 2 278.359 3.335 20 0 CGADLP CCc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222247146 816386230 /nfs/dbraw/zinc/38/62/30/816386230.db2.gz CYPIZNMUMLJZBA-OAHLLOKOSA-N 2 2 264.438 3.029 20 0 CGADLP CCc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)s1 ZINC001222247146 816386236 /nfs/dbraw/zinc/38/62/36/816386236.db2.gz CYPIZNMUMLJZBA-OAHLLOKOSA-N 2 2 264.438 3.029 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222259268 816389794 /nfs/dbraw/zinc/38/97/94/816389794.db2.gz MNQMFOHONBNYGJ-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222259268 816389799 /nfs/dbraw/zinc/38/97/99/816389799.db2.gz MNQMFOHONBNYGJ-GOSISDBHSA-N 2 2 288.435 3.030 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222354866 816417440 /nfs/dbraw/zinc/41/74/40/816417440.db2.gz ONKBLGXXHYIREA-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)cc2)c1 ZINC001222354866 816417444 /nfs/dbraw/zinc/41/74/44/816417444.db2.gz ONKBLGXXHYIREA-IBGZPJMESA-N 2 2 295.430 3.195 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222355974 816417461 /nfs/dbraw/zinc/41/74/61/816417461.db2.gz UXUKFYGIOYEMEJ-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c1 ZINC001222355974 816417463 /nfs/dbraw/zinc/41/74/63/816417463.db2.gz UXUKFYGIOYEMEJ-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)cc1O ZINC001222389812 816428717 /nfs/dbraw/zinc/42/87/17/816428717.db2.gz GSAMOISALFNBNF-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c(C)cc1O ZINC001222389812 816428723 /nfs/dbraw/zinc/42/87/23/816428723.db2.gz GSAMOISALFNBNF-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222477147 816453643 /nfs/dbraw/zinc/45/36/43/816453643.db2.gz IWYMHWVIPDYHCY-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP c1cc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c2cccccc1-2 ZINC001222477147 816453647 /nfs/dbraw/zinc/45/36/47/816453647.db2.gz IWYMHWVIPDYHCY-SFHVURJKSA-N 2 2 266.388 3.119 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc[nH+]c(N3CCCC3)c2)c1 ZINC001242996563 823203841 /nfs/dbraw/zinc/20/38/41/823203841.db2.gz IIQUVCOVKMVBRB-UHFFFAOYSA-N 2 2 267.376 3.068 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cc3ccccc3[nH]2)C1 ZINC001243106322 823249497 /nfs/dbraw/zinc/24/94/97/823249497.db2.gz JRNKVEGVJDRNLR-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cc3ccccc3[nH]2)C1 ZINC001243106322 823249502 /nfs/dbraw/zinc/24/95/02/823249502.db2.gz JRNKVEGVJDRNLR-MRXNPFEDSA-N 2 2 291.398 3.368 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)o1 ZINC001232446021 818353190 /nfs/dbraw/zinc/35/31/90/818353190.db2.gz HBFBBVUGHYZJTE-UHFFFAOYSA-N 2 2 287.285 3.017 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)o1 ZINC001232446021 818353194 /nfs/dbraw/zinc/35/31/94/818353194.db2.gz HBFBBVUGHYZJTE-UHFFFAOYSA-N 2 2 287.285 3.017 20 0 CGADLP CC(C)[N@H+](Cc1cc2ccoc2cn1)C1CC[NH+](C)CC1 ZINC001232555778 818384718 /nfs/dbraw/zinc/38/47/18/818384718.db2.gz ZMKPSWSCUYWIAF-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP CC(C)[N@@H+](Cc1cc2ccoc2cn1)C1CC[NH+](C)CC1 ZINC001232555778 818384728 /nfs/dbraw/zinc/38/47/28/818384728.db2.gz ZMKPSWSCUYWIAF-UHFFFAOYSA-N 2 2 287.407 3.132 20 0 CGADLP Cc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)sn1 ZINC001233313967 818574140 /nfs/dbraw/zinc/57/41/40/818574140.db2.gz ZAIZPZNMIIKKRT-UHFFFAOYSA-N 2 2 293.480 3.290 20 0 CGADLP COc1cc(C[N@@H+]2CCCC23CC3)ccc1-n1cc[nH+]c1 ZINC001234033750 818762101 /nfs/dbraw/zinc/76/21/01/818762101.db2.gz WAQAFIZYBDPGQJ-UHFFFAOYSA-N 2 2 283.375 3.009 20 0 CGADLP COc1cc(C[N@H+]2CCCC23CC3)ccc1-n1cc[nH+]c1 ZINC001234033750 818762106 /nfs/dbraw/zinc/76/21/06/818762106.db2.gz WAQAFIZYBDPGQJ-UHFFFAOYSA-N 2 2 283.375 3.009 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001235034079 818984050 /nfs/dbraw/zinc/98/40/50/818984050.db2.gz UODSIEIYBDOZBN-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C(F)(F)F)c1 ZINC001235034079 818984053 /nfs/dbraw/zinc/98/40/53/818984053.db2.gz UODSIEIYBDOZBN-OAHLLOKOSA-N 2 2 298.352 3.199 20 0 CGADLP COc1c(C)cccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041456 818987884 /nfs/dbraw/zinc/98/78/84/818987884.db2.gz ZUNZDZVUJGYPPO-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1c(C)cccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041456 818987889 /nfs/dbraw/zinc/98/78/89/818987889.db2.gz ZUNZDZVUJGYPPO-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235173595 819023757 /nfs/dbraw/zinc/02/37/57/819023757.db2.gz PTBMIVQQJOELST-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1C ZINC001235173595 819023765 /nfs/dbraw/zinc/02/37/65/819023765.db2.gz PTBMIVQQJOELST-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Cc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(F)cc1F ZINC001235190659 819030428 /nfs/dbraw/zinc/03/04/28/819030428.db2.gz YYZFDTATUXJRNR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(F)cc1F ZINC001235190659 819030433 /nfs/dbraw/zinc/03/04/33/819030433.db2.gz YYZFDTATUXJRNR-UHFFFAOYSA-N 2 2 294.389 3.381 20 0 CGADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc12 ZINC001235209856 819037538 /nfs/dbraw/zinc/03/75/38/819037538.db2.gz RSDGUVREWHDOCL-APWZRJJASA-N 2 2 280.415 3.332 20 0 CGADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c2ccccc12 ZINC001235209856 819037544 /nfs/dbraw/zinc/03/75/44/819037544.db2.gz RSDGUVREWHDOCL-APWZRJJASA-N 2 2 280.415 3.332 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1C(F)(F)F ZINC001235265254 819057799 /nfs/dbraw/zinc/05/77/99/819057799.db2.gz CKAQYRNQIFXPTM-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1C(F)(F)F ZINC001235265254 819057807 /nfs/dbraw/zinc/05/78/07/819057807.db2.gz CKAQYRNQIFXPTM-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400541 819084115 /nfs/dbraw/zinc/08/41/15/819084115.db2.gz KFXCVBCWFSPLHD-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400541 819084119 /nfs/dbraw/zinc/08/41/19/819084119.db2.gz KFXCVBCWFSPLHD-CVEARBPZSA-N 2 2 296.817 3.172 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712358 819148805 /nfs/dbraw/zinc/14/88/05/819148805.db2.gz AUOAFOZUJUIZSM-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235712358 819148807 /nfs/dbraw/zinc/14/88/07/819148807.db2.gz AUOAFOZUJUIZSM-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC001235740134 819158150 /nfs/dbraw/zinc/15/81/50/819158150.db2.gz LALMVVNTVBSQPS-KRWDZBQOSA-N 2 2 284.378 3.286 20 0 CGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC001235740134 819158159 /nfs/dbraw/zinc/15/81/59/819158159.db2.gz LALMVVNTVBSQPS-KRWDZBQOSA-N 2 2 284.378 3.286 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235796260 819171165 /nfs/dbraw/zinc/17/11/65/819171165.db2.gz RCVVLAATZLXEEC-HKUYNNGSSA-N 2 2 280.415 3.371 20 0 CGADLP CC[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235796260 819171167 /nfs/dbraw/zinc/17/11/67/819171167.db2.gz RCVVLAATZLXEEC-HKUYNNGSSA-N 2 2 280.415 3.371 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891211 819199889 /nfs/dbraw/zinc/19/98/89/819199889.db2.gz HGTSUHZPIQLEON-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891211 819199891 /nfs/dbraw/zinc/19/98/91/819199891.db2.gz HGTSUHZPIQLEON-HOCLYGCPSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2ccsc2c1 ZINC001235907686 819217787 /nfs/dbraw/zinc/21/77/87/819217787.db2.gz SGDXUFJDJPUWRA-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2ccsc2c1 ZINC001235907686 819217791 /nfs/dbraw/zinc/21/77/91/819217791.db2.gz SGDXUFJDJPUWRA-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001235918866 819220209 /nfs/dbraw/zinc/22/02/09/819220209.db2.gz MZPRONWMAWXRIY-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC001235918866 819220213 /nfs/dbraw/zinc/22/02/13/819220213.db2.gz MZPRONWMAWXRIY-UKRRQHHQSA-N 2 2 298.352 3.247 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949808 819239151 /nfs/dbraw/zinc/23/91/51/819239151.db2.gz ULRJSGFIRFZHGZ-FZMZJTMJSA-N 2 2 282.815 3.057 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949808 819239155 /nfs/dbraw/zinc/23/91/55/819239155.db2.gz ULRJSGFIRFZHGZ-FZMZJTMJSA-N 2 2 282.815 3.057 20 0 CGADLP Clc1cccc2c1CC[N@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001235949355 819240701 /nfs/dbraw/zinc/24/07/01/819240701.db2.gz GLWCTMZBEWNQGG-CQSZACIVSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1cccc2c1CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001235949355 819240706 /nfs/dbraw/zinc/24/07/06/819240706.db2.gz GLWCTMZBEWNQGG-CQSZACIVSA-N 2 2 278.827 3.230 20 0 CGADLP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235956727 819244012 /nfs/dbraw/zinc/24/40/12/819244012.db2.gz GSBYXKSCTBAOMV-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1Cl ZINC001235956727 819244016 /nfs/dbraw/zinc/24/40/16/819244016.db2.gz GSBYXKSCTBAOMV-CYBMUJFWSA-N 2 2 266.816 3.080 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001235957628 819246331 /nfs/dbraw/zinc/24/63/31/819246331.db2.gz QVSSXROIOBBNDS-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001235957628 819246337 /nfs/dbraw/zinc/24/63/37/819246337.db2.gz QVSSXROIOBBNDS-AWEZNQCLSA-N 2 2 294.414 3.044 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1F ZINC001235960080 819247496 /nfs/dbraw/zinc/24/74/96/819247496.db2.gz VUSVJHKLTCZJCA-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1F ZINC001235960080 819247501 /nfs/dbraw/zinc/24/75/01/819247501.db2.gz VUSVJHKLTCZJCA-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC001235960388 819249380 /nfs/dbraw/zinc/24/93/80/819249380.db2.gz KSNQLMFRHIBKAX-OAHLLOKOSA-N 2 2 264.388 3.180 20 0 CGADLP CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1F ZINC001235960388 819249384 /nfs/dbraw/zinc/24/93/84/819249384.db2.gz KSNQLMFRHIBKAX-OAHLLOKOSA-N 2 2 264.388 3.180 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001235988108 819259804 /nfs/dbraw/zinc/25/98/04/819259804.db2.gz YLNWEKFDTPTWKA-IAGOWNOFSA-N 2 2 290.426 3.161 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001236047411 819284889 /nfs/dbraw/zinc/28/48/89/819284889.db2.gz HTDQCTMHVUKAGK-NSHDSACASA-N 2 2 286.341 3.232 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236052176 819288801 /nfs/dbraw/zinc/28/88/01/819288801.db2.gz OTVHXOJFCQMNBU-XJKSGUPXSA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236052176 819288808 /nfs/dbraw/zinc/28/88/08/819288808.db2.gz OTVHXOJFCQMNBU-XJKSGUPXSA-N 2 2 290.451 3.260 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052596 819289362 /nfs/dbraw/zinc/28/93/62/819289362.db2.gz SWZROTXNUAFUGO-DYVFJYSZSA-N 2 2 258.409 3.123 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236052596 819289366 /nfs/dbraw/zinc/28/93/66/819289366.db2.gz SWZROTXNUAFUGO-DYVFJYSZSA-N 2 2 258.409 3.123 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236058723 819292316 /nfs/dbraw/zinc/29/23/16/819292316.db2.gz ATGSGRJCBDQOQZ-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236058723 819292324 /nfs/dbraw/zinc/29/23/24/819292324.db2.gz ATGSGRJCBDQOQZ-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP Fc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236094517 819312560 /nfs/dbraw/zinc/31/25/60/819312560.db2.gz ZRQOHZYJDSVMNQ-UHFFFAOYSA-N 2 2 290.426 3.496 20 0 CGADLP Fc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001236094517 819312567 /nfs/dbraw/zinc/31/25/67/819312567.db2.gz ZRQOHZYJDSVMNQ-UHFFFAOYSA-N 2 2 290.426 3.496 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236108648 819323905 /nfs/dbraw/zinc/32/39/05/819323905.db2.gz LVMXFUVUGZLMCP-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236108648 819323913 /nfs/dbraw/zinc/32/39/13/819323913.db2.gz LVMXFUVUGZLMCP-ZFWWWQNUSA-N 2 2 276.449 3.297 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1C ZINC001236143884 819343501 /nfs/dbraw/zinc/34/35/01/819343501.db2.gz MJXKZYMWZFOGGV-UHFFFAOYSA-N 2 2 298.430 3.355 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)cc1C ZINC001236143884 819343504 /nfs/dbraw/zinc/34/35/04/819343504.db2.gz MJXKZYMWZFOGGV-UHFFFAOYSA-N 2 2 298.430 3.355 20 0 CGADLP C[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216706 819380681 /nfs/dbraw/zinc/38/06/81/819380681.db2.gz LSJOVDDACQKXSW-HUUCEWRRSA-N 2 2 275.371 3.009 20 0 CGADLP C[N@@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216706 819380690 /nfs/dbraw/zinc/38/06/90/819380690.db2.gz LSJOVDDACQKXSW-HUUCEWRRSA-N 2 2 275.371 3.009 20 0 CGADLP C[N@H+](Cc1ccnc(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218718 819383523 /nfs/dbraw/zinc/38/35/23/819383523.db2.gz SWRBNRGCDBDZTN-HUUCEWRRSA-N 2 2 275.440 3.081 20 0 CGADLP C[N@@H+](Cc1ccnc(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218718 819383527 /nfs/dbraw/zinc/38/35/27/819383527.db2.gz SWRBNRGCDBDZTN-HUUCEWRRSA-N 2 2 275.440 3.081 20 0 CGADLP Cc1ccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236238101 819397990 /nfs/dbraw/zinc/39/79/90/819397990.db2.gz ZDBCXHGBXVKWDU-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236238101 819397996 /nfs/dbraw/zinc/39/79/96/819397996.db2.gz ZDBCXHGBXVKWDU-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001236240978 819399636 /nfs/dbraw/zinc/39/96/36/819399636.db2.gz OCCRAQPGUBIDFG-SFHVURJKSA-N 2 2 284.447 3.282 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2c(c1)CCCC2 ZINC001236240978 819399641 /nfs/dbraw/zinc/39/96/41/819399641.db2.gz OCCRAQPGUBIDFG-SFHVURJKSA-N 2 2 284.447 3.282 20 0 CGADLP CS[C@H](C)CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269323 819411864 /nfs/dbraw/zinc/41/18/64/819411864.db2.gz KECAYMZVYNYCSN-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP CS[C@H](C)CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269323 819411868 /nfs/dbraw/zinc/41/18/68/819411868.db2.gz KECAYMZVYNYCSN-WBVHZDCISA-N 2 2 292.492 3.382 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236417919 819463587 /nfs/dbraw/zinc/46/35/87/819463587.db2.gz FXQMWFJJMZJHPF-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP Cc1cnc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236417919 819463590 /nfs/dbraw/zinc/46/35/90/819463590.db2.gz FXQMWFJJMZJHPF-CRAIPNDOSA-N 2 2 295.430 3.369 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417352 819463691 /nfs/dbraw/zinc/46/36/91/819463691.db2.gz YRLCJUCIAIXBPU-FZMZJTMJSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417352 819463694 /nfs/dbraw/zinc/46/36/94/819463694.db2.gz YRLCJUCIAIXBPU-FZMZJTMJSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419188 819465706 /nfs/dbraw/zinc/46/57/06/819465706.db2.gz HIYNZZRZHWGLAA-SJKOYZFVSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(F)c2ccccc12 ZINC001236419188 819465710 /nfs/dbraw/zinc/46/57/10/819465710.db2.gz HIYNZZRZHWGLAA-SJKOYZFVSA-N 2 2 272.367 3.291 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236421177 819468387 /nfs/dbraw/zinc/46/83/87/819468387.db2.gz BLDULNNLPJZSKP-GOSISDBHSA-N 2 2 296.414 3.243 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001236421177 819468392 /nfs/dbraw/zinc/46/83/92/819468392.db2.gz BLDULNNLPJZSKP-GOSISDBHSA-N 2 2 296.414 3.243 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236432753 819476885 /nfs/dbraw/zinc/47/68/85/819476885.db2.gz BRMQEWOLRDBDDN-LJQANCHMSA-N 2 2 296.389 3.131 20 0 CGADLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236432753 819476886 /nfs/dbraw/zinc/47/68/86/819476886.db2.gz BRMQEWOLRDBDDN-LJQANCHMSA-N 2 2 296.389 3.131 20 0 CGADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434324 819477212 /nfs/dbraw/zinc/47/72/12/819477212.db2.gz QNNFNIYAMFIWJN-GXFFZTMASA-N 2 2 288.313 3.069 20 0 CGADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001236434324 819477215 /nfs/dbraw/zinc/47/72/15/819477215.db2.gz QNNFNIYAMFIWJN-GXFFZTMASA-N 2 2 288.313 3.069 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001236436293 819478170 /nfs/dbraw/zinc/47/81/70/819478170.db2.gz IUSDPPVDQXFZNL-UHFFFAOYSA-N 2 2 255.365 3.076 20 0 CGADLP CC(C)C[NH2+]Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001236446495 819482585 /nfs/dbraw/zinc/48/25/85/819482585.db2.gz DHAVZNCUZBNBEV-UHFFFAOYSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC001236469175 819490008 /nfs/dbraw/zinc/49/00/08/819490008.db2.gz VBLQMOXHGUZMCX-OAHLLOKOSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC001236469175 819490012 /nfs/dbraw/zinc/49/00/12/819490012.db2.gz VBLQMOXHGUZMCX-OAHLLOKOSA-N 2 2 266.454 3.327 20 0 CGADLP Cc1c(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccnc1Cl ZINC001236475942 819494395 /nfs/dbraw/zinc/49/43/95/819494395.db2.gz UEKJSKPZFUOCNV-OAHLLOKOSA-N 2 2 295.858 3.253 20 0 CGADLP Cc1c(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccnc1Cl ZINC001236475942 819494398 /nfs/dbraw/zinc/49/43/98/819494398.db2.gz UEKJSKPZFUOCNV-OAHLLOKOSA-N 2 2 295.858 3.253 20 0 CGADLP CCC[C@H](C)C[N@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478124 819495578 /nfs/dbraw/zinc/49/55/78/819495578.db2.gz BYVZQGZLQKJZQM-RDJZCZTQSA-N 2 2 275.440 3.072 20 0 CGADLP CCC[C@H](C)C[N@@H+](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001236478124 819495584 /nfs/dbraw/zinc/49/55/84/819495584.db2.gz BYVZQGZLQKJZQM-RDJZCZTQSA-N 2 2 275.440 3.072 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1cccc2[nH]ccc21 ZINC001236521387 819514901 /nfs/dbraw/zinc/51/49/01/819514901.db2.gz RNMHXVICCQUUQT-UHFFFAOYSA-N 2 2 279.387 3.129 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1cccc2[nH]ccc21 ZINC001236521387 819514907 /nfs/dbraw/zinc/51/49/07/819514907.db2.gz RNMHXVICCQUUQT-UHFFFAOYSA-N 2 2 279.387 3.129 20 0 CGADLP CCCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236531367 819523765 /nfs/dbraw/zinc/52/37/65/819523765.db2.gz XVAHTRUYXZPKJW-QGZVFWFLSA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236531367 819523771 /nfs/dbraw/zinc/52/37/71/819523771.db2.gz XVAHTRUYXZPKJW-QGZVFWFLSA-N 2 2 290.451 3.438 20 0 CGADLP c1cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2cccccc1-2 ZINC001236532958 819524923 /nfs/dbraw/zinc/52/49/23/819524923.db2.gz JNBVUXCTCVIVOK-QGZVFWFLSA-N 2 2 266.388 3.118 20 0 CGADLP c1cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2cccccc1-2 ZINC001236532958 819524928 /nfs/dbraw/zinc/52/49/28/819524928.db2.gz JNBVUXCTCVIVOK-QGZVFWFLSA-N 2 2 266.388 3.118 20 0 CGADLP C1=CC[C@H](C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649738 819562164 /nfs/dbraw/zinc/56/21/64/819562164.db2.gz ZKRRKWMPZZSNHI-DOTOQJQBSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@H](C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649738 819562167 /nfs/dbraw/zinc/56/21/67/819562167.db2.gz ZKRRKWMPZZSNHI-DOTOQJQBSA-N 2 2 262.441 3.339 20 0 CGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236902486 819635634 /nfs/dbraw/zinc/63/56/34/819635634.db2.gz FOIRFIDEVQHGIP-UHFFFAOYSA-N 2 2 275.783 3.368 20 0 CGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC1CC1 ZINC001236902486 819635637 /nfs/dbraw/zinc/63/56/37/819635637.db2.gz FOIRFIDEVQHGIP-UHFFFAOYSA-N 2 2 275.783 3.368 20 0 CGADLP C[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913030 819637290 /nfs/dbraw/zinc/63/72/90/819637290.db2.gz HUWDBRNZOXJRTH-NSHDSACASA-N 2 2 261.756 3.120 20 0 CGADLP C[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236913030 819637294 /nfs/dbraw/zinc/63/72/94/819637294.db2.gz HUWDBRNZOXJRTH-NSHDSACASA-N 2 2 261.756 3.120 20 0 CGADLP CCOc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237144100 819676178 /nfs/dbraw/zinc/67/61/78/819676178.db2.gz JALRRSXDUNMEBB-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237144100 819676182 /nfs/dbraw/zinc/67/61/82/819676182.db2.gz JALRRSXDUNMEBB-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1c(F)cccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237144723 819678102 /nfs/dbraw/zinc/67/81/02/819678102.db2.gz LILDYHSUIRGMSS-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1c(F)cccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237144723 819678107 /nfs/dbraw/zinc/67/81/07/819678107.db2.gz LILDYHSUIRGMSS-MRXNPFEDSA-N 2 2 276.399 3.241 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001237203656 819697655 /nfs/dbraw/zinc/69/76/55/819697655.db2.gz JSRQVPMUYLQCCP-OCCSQVGLSA-N 2 2 272.417 3.337 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(-c2ccccc2)s1 ZINC001237203656 819697658 /nfs/dbraw/zinc/69/76/58/819697658.db2.gz JSRQVPMUYLQCCP-OCCSQVGLSA-N 2 2 272.417 3.337 20 0 CGADLP Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)o1 ZINC001237275416 819714524 /nfs/dbraw/zinc/71/45/24/819714524.db2.gz NDXMWEUAZTZDDX-UHFFFAOYSA-N 2 2 296.414 3.225 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237402617 819745496 /nfs/dbraw/zinc/74/54/96/819745496.db2.gz ISDGHLXMCLIECR-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237402617 819745501 /nfs/dbraw/zinc/74/55/01/819745501.db2.gz ISDGHLXMCLIECR-HOCLYGCPSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237416396 819749249 /nfs/dbraw/zinc/74/92/49/819749249.db2.gz PVXMNLVWGVSVJU-DZGCQCFKSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1Cl ZINC001237416396 819749253 /nfs/dbraw/zinc/74/92/53/819749253.db2.gz PVXMNLVWGVSVJU-DZGCQCFKSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c12 ZINC001237636818 819795549 /nfs/dbraw/zinc/79/55/49/819795549.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c12 ZINC001237636818 819795558 /nfs/dbraw/zinc/79/55/58/819795558.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c12 ZINC001237636818 819795563 /nfs/dbraw/zinc/79/55/63/819795563.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccnc2cccc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c12 ZINC001237636818 819795568 /nfs/dbraw/zinc/79/55/68/819795568.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001237702208 819813571 /nfs/dbraw/zinc/81/35/71/819813571.db2.gz PNKRVDCBTJQDBC-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001237702208 819813581 /nfs/dbraw/zinc/81/35/81/819813581.db2.gz PNKRVDCBTJQDBC-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001237702208 819813587 /nfs/dbraw/zinc/81/35/87/819813587.db2.gz PNKRVDCBTJQDBC-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001237702208 819813595 /nfs/dbraw/zinc/81/35/95/819813595.db2.gz PNKRVDCBTJQDBC-KRWDZBQOSA-N 2 2 292.854 3.484 20 0 CGADLP C[C@H]1C(=O)CC[N@@H+](Cc2cccc3c[nH+]cn32)C12CCCC2 ZINC001238115604 819938530 /nfs/dbraw/zinc/93/85/30/819938530.db2.gz KJELSUAJELBMPE-AWEZNQCLSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1cnc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001238438773 819998365 /nfs/dbraw/zinc/99/83/65/819998365.db2.gz VPGGKCAQEYGNNE-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1cnc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(C)c1 ZINC001238438773 819998372 /nfs/dbraw/zinc/99/83/72/819998372.db2.gz VPGGKCAQEYGNNE-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(C3CC3)nc2)C1 ZINC001238856302 820137341 /nfs/dbraw/zinc/13/73/41/820137341.db2.gz NQQQKFCJQYIUAL-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(C3CC3)nc2)C1 ZINC001238856302 820137345 /nfs/dbraw/zinc/13/73/45/820137345.db2.gz NQQQKFCJQYIUAL-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP COc1cc2[nH+]c[nH]c2cc1-c1ccccc1C[NH+](C)C ZINC001239684869 820520365 /nfs/dbraw/zinc/52/03/65/820520365.db2.gz UJIWRWGRNPXPKI-UHFFFAOYSA-N 2 2 281.359 3.300 20 0 CGADLP CCc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239745950 820568410 /nfs/dbraw/zinc/56/84/10/820568410.db2.gz YANBRPXOMGUFFH-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239745950 820568418 /nfs/dbraw/zinc/56/84/18/820568418.db2.gz YANBRPXOMGUFFH-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP C[NH+](C)CCOc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240518349 821114729 /nfs/dbraw/zinc/11/47/29/821114729.db2.gz OHHBGJHXLBUIQC-UHFFFAOYSA-N 2 2 299.349 3.081 20 0 CGADLP C[N@@H+]1CC[C@H](c2ccc(-c3ccn4cc[nH+]c4c3)cc2)C1 ZINC001240518952 821116182 /nfs/dbraw/zinc/11/61/82/821116182.db2.gz VVUCKBPPYLVNLJ-KRWDZBQOSA-N 2 2 277.371 3.420 20 0 CGADLP C[N@H+]1CC[C@H](c2ccc(-c3ccn4cc[nH+]c4c3)cc2)C1 ZINC001240518952 821116189 /nfs/dbraw/zinc/11/61/89/821116189.db2.gz VVUCKBPPYLVNLJ-KRWDZBQOSA-N 2 2 277.371 3.420 20 0 CGADLP Cc1ccc(F)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240922992 821417932 /nfs/dbraw/zinc/41/79/32/821417932.db2.gz QGKXKUCRTCWFMY-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1ccc(F)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240922992 821417939 /nfs/dbraw/zinc/41/79/39/821417939.db2.gz QGKXKUCRTCWFMY-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP COc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241682197 822065150 /nfs/dbraw/zinc/06/51/50/822065150.db2.gz WMNVTESZWBSZTQ-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241682197 822065157 /nfs/dbraw/zinc/06/51/57/822065157.db2.gz WMNVTESZWBSZTQ-QGZVFWFLSA-N 2 2 296.414 3.204 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cncc(C4CC4)c3)cc2)C1 ZINC001242197728 822907616 /nfs/dbraw/zinc/90/76/16/822907616.db2.gz LXPBCFGLACWKTR-LJQANCHMSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cncc(C4CC4)c3)cc2)C1 ZINC001242197728 822907617 /nfs/dbraw/zinc/90/76/17/822907617.db2.gz LXPBCFGLACWKTR-LJQANCHMSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc4cc[nH]c43)c2)C1 ZINC001242361383 822966453 /nfs/dbraw/zinc/96/64/53/822966453.db2.gz KIQJEZICHKIPRX-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc4cc[nH]c43)c2)C1 ZINC001242361383 822966455 /nfs/dbraw/zinc/96/64/55/822966455.db2.gz KIQJEZICHKIPRX-KRWDZBQOSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(N(C)CCC[NH+]2CCCC2)[nH+]c2ccccc12 ZINC001339810300 936386926 /nfs/dbraw/zinc/38/69/26/936386926.db2.gz KPEJSVOYYXOUMA-UHFFFAOYSA-N 2 2 283.419 3.465 20 0 CGADLP CCC[N@H+](C)CC(C)(C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001458499880 937466186 /nfs/dbraw/zinc/46/61/86/937466186.db2.gz QVCSLFXPHMDNMY-UHFFFAOYSA-N 2 2 278.444 3.134 20 0 CGADLP CCC[N@@H+](C)CC(C)(C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001458499880 937466188 /nfs/dbraw/zinc/46/61/88/937466188.db2.gz QVCSLFXPHMDNMY-UHFFFAOYSA-N 2 2 278.444 3.134 20 0 CGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)c(C)s1 ZINC001460563829 937535642 /nfs/dbraw/zinc/53/56/42/937535642.db2.gz ZZISVTPVFHZEPV-IYBDPMFKSA-N 2 2 278.465 3.139 20 0 CGADLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)c(C)s1 ZINC001460563829 937535644 /nfs/dbraw/zinc/53/56/44/937535644.db2.gz ZZISVTPVFHZEPV-IYBDPMFKSA-N 2 2 278.465 3.139 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c(C)s1 ZINC001460563829 937535645 /nfs/dbraw/zinc/53/56/45/937535645.db2.gz ZZISVTPVFHZEPV-IYBDPMFKSA-N 2 2 278.465 3.139 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)c(C)s1 ZINC001460563829 937535647 /nfs/dbraw/zinc/53/56/47/937535647.db2.gz ZZISVTPVFHZEPV-IYBDPMFKSA-N 2 2 278.465 3.139 20 0 CGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cncs2)CC1 ZINC001460625292 937536628 /nfs/dbraw/zinc/53/66/28/937536628.db2.gz GAYRHBDXJMQSAK-HNNXBMFYSA-N 2 2 293.480 3.230 20 0 CGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cncs2)CC1 ZINC001460625292 937536630 /nfs/dbraw/zinc/53/66/30/937536630.db2.gz GAYRHBDXJMQSAK-HNNXBMFYSA-N 2 2 293.480 3.230 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC001460977226 937556804 /nfs/dbraw/zinc/55/68/04/937556804.db2.gz WRJSHRIACLUQKX-OAHLLOKOSA-N 2 2 298.434 3.413 20 0 CGADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC001460977226 937556805 /nfs/dbraw/zinc/55/68/05/937556805.db2.gz WRJSHRIACLUQKX-OAHLLOKOSA-N 2 2 298.434 3.413 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001461626038 937589126 /nfs/dbraw/zinc/58/91/26/937589126.db2.gz DPLFSQQVKFSXTF-ARFHVFGLSA-N 2 2 284.513 3.371 20 0 CGADLP CCc1ccc(C[NH2+][C@@H](C)CC[NH+](CC)CC)o1 ZINC001461834476 937600415 /nfs/dbraw/zinc/60/04/15/937600415.db2.gz UMKYNJFGTYRXJR-ZDUSSCGKSA-N 2 2 252.402 3.052 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001308291655 933089588 /nfs/dbraw/zinc/08/95/88/933089588.db2.gz CMVHNCXFIUHWFA-NVXWUHKLSA-N 2 2 298.434 3.039 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCCc3ccccc3C2)[nH+]c1 ZINC001308298572 933091636 /nfs/dbraw/zinc/09/16/36/933091636.db2.gz SZTCMAWDGJQSOY-GOSISDBHSA-N 2 2 295.430 3.421 20 0 CGADLP CCNc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC001308601597 933140486 /nfs/dbraw/zinc/14/04/86/933140486.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC001308601597 933140492 /nfs/dbraw/zinc/14/04/92/933140492.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001308601597 933140495 /nfs/dbraw/zinc/14/04/95/933140495.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 2 275.440 3.033 20 0 CGADLP CCNc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001308601597 933140499 /nfs/dbraw/zinc/14/04/99/933140499.db2.gz UYGZHDJCNVBWFO-ZBFHGGJFSA-N 2 2 275.440 3.033 20 0 CGADLP COCCCC1(C[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CCC1 ZINC001308721587 933164165 /nfs/dbraw/zinc/16/41/65/933164165.db2.gz TUYZESNHYFWANE-UHFFFAOYSA-N 2 2 296.499 3.295 20 0 CGADLP COCCCC1(C[NH2+]CC[N@H+]2CCCC(C)(C)C2)CCC1 ZINC001308721587 933164169 /nfs/dbraw/zinc/16/41/69/933164169.db2.gz TUYZESNHYFWANE-UHFFFAOYSA-N 2 2 296.499 3.295 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864200 933192582 /nfs/dbraw/zinc/19/25/82/933192582.db2.gz LZODYRRTQBBDJP-MGHWNKPDSA-N 2 2 276.468 3.418 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC001308864200 933192585 /nfs/dbraw/zinc/19/25/85/933192585.db2.gz LZODYRRTQBBDJP-MGHWNKPDSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001308974779 933217923 /nfs/dbraw/zinc/21/79/23/933217923.db2.gz KXPHBDVMSSZROX-DLBZAZTESA-N 2 2 272.436 3.112 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001308974779 933217928 /nfs/dbraw/zinc/21/79/28/933217928.db2.gz KXPHBDVMSSZROX-DLBZAZTESA-N 2 2 272.436 3.112 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC001319989149 933972975 /nfs/dbraw/zinc/97/29/75/933972975.db2.gz LVGRDICHJRVKSF-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC001319989149 933972984 /nfs/dbraw/zinc/97/29/84/933972984.db2.gz LVGRDICHJRVKSF-ZDUSSCGKSA-N 2 2 291.345 3.110 20 0 CGADLP C/C=C(/C=C/C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC ZINC001323989255 934447061 /nfs/dbraw/zinc/44/70/61/934447061.db2.gz CXUAGRIZZAGXPX-BFZIDUARSA-N 2 2 296.374 3.427 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC1CC1 ZINC001324315309 934485830 /nfs/dbraw/zinc/48/58/30/934485830.db2.gz BWUYDVQVPUAJRD-UHFFFAOYSA-N 2 2 284.363 3.095 20 0 CGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC001324929564 934874736 /nfs/dbraw/zinc/87/47/36/934874736.db2.gz VTGHRWOVEYKSLQ-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2F)C1 ZINC001324929564 934874741 /nfs/dbraw/zinc/87/47/41/934874741.db2.gz VTGHRWOVEYKSLQ-STQMWFEESA-N 2 2 282.378 3.347 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001325269653 934900729 /nfs/dbraw/zinc/90/07/29/934900729.db2.gz ZEBPQNPFTJCDIH-VIFPVBQESA-N 2 2 294.748 3.446 20 0 CGADLP CC[C@@H](C)CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001325875331 934936109 /nfs/dbraw/zinc/93/61/09/934936109.db2.gz ZHUWQIOSAFVPAZ-GFCCVEGCSA-N 2 2 286.379 3.341 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC001327253779 935048659 /nfs/dbraw/zinc/04/86/59/935048659.db2.gz JDDZCRCAZQRNIO-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC001327253779 935048663 /nfs/dbraw/zinc/04/86/63/935048663.db2.gz JDDZCRCAZQRNIO-OAHLLOKOSA-N 2 2 272.392 3.395 20 0 CGADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]2C1 ZINC001333825029 936068644 /nfs/dbraw/zinc/06/86/44/936068644.db2.gz DEPZKJGNBROPNC-YESZJQIVSA-N 2 2 295.430 3.401 20 0 CGADLP Cn1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320794 937851135 /nfs/dbraw/zinc/85/11/35/937851135.db2.gz QKBSIYAYYHCPDV-SJLPKXTDSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc2ccccc21 ZINC001474320794 937851137 /nfs/dbraw/zinc/85/11/37/937851137.db2.gz QKBSIYAYYHCPDV-SJLPKXTDSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc2ccccc21 ZINC001474320794 937851138 /nfs/dbraw/zinc/85/11/38/937851138.db2.gz QKBSIYAYYHCPDV-SJLPKXTDSA-N 2 2 297.446 3.094 20 0 CGADLP Cn1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc2ccccc21 ZINC001474320794 937851140 /nfs/dbraw/zinc/85/11/40/937851140.db2.gz QKBSIYAYYHCPDV-SJLPKXTDSA-N 2 2 297.446 3.094 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CC(Cc3ccc(Cl)cc3)C2)n1C ZINC001474568190 937867677 /nfs/dbraw/zinc/86/76/77/937867677.db2.gz AIFPFLLXKMXWTQ-UHFFFAOYSA-N 2 2 289.810 3.056 20 0 CGADLP COC1(C[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CCCCCC1 ZINC001474625462 937871116 /nfs/dbraw/zinc/87/11/16/937871116.db2.gz BHSIJJJIEWFJIF-KRWDZBQOSA-N 2 2 296.499 3.436 20 0 CGADLP CO[C@](C)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474671059 937873985 /nfs/dbraw/zinc/87/39/85/937873985.db2.gz OOWOWSAMFRULKK-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@](C)(C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474671059 937873986 /nfs/dbraw/zinc/87/39/86/937873986.db2.gz OOWOWSAMFRULKK-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001474737670 937878035 /nfs/dbraw/zinc/87/80/35/937878035.db2.gz UMSGIJJAYDDTHF-ADKAHSJRSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC001474737670 937878036 /nfs/dbraw/zinc/87/80/36/937878036.db2.gz UMSGIJJAYDDTHF-ADKAHSJRSA-N 2 2 272.436 3.181 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549035829 938000688 /nfs/dbraw/zinc/00/06/88/938000688.db2.gz CHRAMOVGTNOMIQ-HUUCEWRRSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001549035829 938000689 /nfs/dbraw/zinc/00/06/89/938000689.db2.gz CHRAMOVGTNOMIQ-HUUCEWRRSA-N 2 2 290.407 3.122 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001548900211 938153735 /nfs/dbraw/zinc/15/37/35/938153735.db2.gz GFZWVGKNTXIROL-KURKYZTESA-N 2 2 295.430 3.403 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001548900211 938153736 /nfs/dbraw/zinc/15/37/36/938153736.db2.gz GFZWVGKNTXIROL-KURKYZTESA-N 2 2 295.430 3.403 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549035826 938154627 /nfs/dbraw/zinc/15/46/27/938154627.db2.gz CHRAMOVGTNOMIQ-GJZGRUSLSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001549035826 938154628 /nfs/dbraw/zinc/15/46/28/938154628.db2.gz CHRAMOVGTNOMIQ-GJZGRUSLSA-N 2 2 290.407 3.122 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@H+](CC2(C)CCCC2)C1 ZINC001550057816 938162523 /nfs/dbraw/zinc/16/25/23/938162523.db2.gz CIZPGYZPEHUEJV-AWEZNQCLSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1c[nH+]cc1[C@H]1CCC[N@@H+](CC2(C)CCCC2)C1 ZINC001550057816 938162524 /nfs/dbraw/zinc/16/25/24/938162524.db2.gz CIZPGYZPEHUEJV-AWEZNQCLSA-N 2 2 261.413 3.180 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(C)n1 ZINC001550130490 938162970 /nfs/dbraw/zinc/16/29/70/938162970.db2.gz VZCQPHLEFHMDMR-MRXNPFEDSA-N 2 2 298.434 3.120 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(C)n1 ZINC001550130490 938162971 /nfs/dbraw/zinc/16/29/71/938162971.db2.gz VZCQPHLEFHMDMR-MRXNPFEDSA-N 2 2 298.434 3.120 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(OC)cc1 ZINC001551378611 938180729 /nfs/dbraw/zinc/18/07/29/938180729.db2.gz RFCQUEOWWPLIHS-GBESFXJTSA-N 2 2 296.414 3.361 20 0 CGADLP [NH3+][C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001551402256 938181874 /nfs/dbraw/zinc/18/18/74/938181874.db2.gz MBIJDZSWGLKHSW-HOTGVXAUSA-N 2 2 272.779 3.054 20 0 CGADLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC001559650315 938231847 /nfs/dbraw/zinc/23/18/47/938231847.db2.gz AXDPTFQONMTEEU-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC001559650315 938231848 /nfs/dbraw/zinc/23/18/48/938231848.db2.gz AXDPTFQONMTEEU-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC001559751960 938234740 /nfs/dbraw/zinc/23/47/40/938234740.db2.gz PKBWUZZKZWAQMM-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC001560365248 938255401 /nfs/dbraw/zinc/25/54/01/938255401.db2.gz QVYGBZYUKONDEW-LSDHHAIUSA-N 2 2 261.413 3.442 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001560616029 938265742 /nfs/dbraw/zinc/26/57/42/938265742.db2.gz KZUZWNSISYVMIH-KGLIPLIRSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001560616029 938265743 /nfs/dbraw/zinc/26/57/43/938265743.db2.gz KZUZWNSISYVMIH-KGLIPLIRSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001560616031 938265875 /nfs/dbraw/zinc/26/58/75/938265875.db2.gz KZUZWNSISYVMIH-ZIAGYGMSSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001560616031 938265876 /nfs/dbraw/zinc/26/58/76/938265876.db2.gz KZUZWNSISYVMIH-ZIAGYGMSSA-N 2 2 252.446 3.133 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929316 938284692 /nfs/dbraw/zinc/28/46/92/938284692.db2.gz VHOBRVTVGKYLLT-IIAWOOMASA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929316 938284694 /nfs/dbraw/zinc/28/46/94/938284694.db2.gz VHOBRVTVGKYLLT-IIAWOOMASA-N 2 2 252.446 3.418 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC001560945826 938285722 /nfs/dbraw/zinc/28/57/22/938285722.db2.gz KSJHJJTUGZCMCO-RDJZCZTQSA-N 2 2 260.425 3.172 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC001560945826 938285723 /nfs/dbraw/zinc/28/57/23/938285723.db2.gz KSJHJJTUGZCMCO-RDJZCZTQSA-N 2 2 260.425 3.172 20 0 CGADLP CCCC[C@H](CC)CCC[N@H+](C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC001577388257 960475342 /nfs/dbraw/zinc/47/53/42/960475342.db2.gz MPNGKSQSQJFKOS-ULQDDVLXSA-N 2 2 284.488 3.028 20 0 CGADLP CCCC[C@H](CC)CCC[N@@H+](C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC001577388257 960475344 /nfs/dbraw/zinc/47/53/44/960475344.db2.gz MPNGKSQSQJFKOS-ULQDDVLXSA-N 2 2 284.488 3.028 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001576149077 962437745 /nfs/dbraw/zinc/43/77/45/962437745.db2.gz BMMRGOXMJABRGQ-MNOVXSKESA-N 2 2 274.330 3.131 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001576149077 962437754 /nfs/dbraw/zinc/43/77/54/962437754.db2.gz BMMRGOXMJABRGQ-MNOVXSKESA-N 2 2 274.330 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc2c(c1)CCCO2 ZINC001576234357 962440280 /nfs/dbraw/zinc/44/02/80/962440280.db2.gz WENVSYTVEHARID-JKIFEVAISA-N 2 2 288.435 3.193 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC001576243929 962444372 /nfs/dbraw/zinc/44/43/72/962444372.db2.gz HCSUVBGIGLSEPG-HEHGZKQESA-N 2 2 296.842 3.228 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCCC[NH2+]1 ZINC001576243932 962452546 /nfs/dbraw/zinc/45/25/46/962452546.db2.gz HCSUVBGIGLSEPG-WOSRLPQWSA-N 2 2 296.842 3.228 20 0 CGADLP C[C@@]1(C[N@H+](Cc2ccco2)Cc2ccccc2)CC[NH2+]C1 ZINC001576501744 962468733 /nfs/dbraw/zinc/46/87/33/962468733.db2.gz YWQBPNJJTXLHFN-GOSISDBHSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@@]1(C[N@@H+](Cc2ccco2)Cc2ccccc2)CC[NH2+]C1 ZINC001576501744 962468741 /nfs/dbraw/zinc/46/87/41/962468741.db2.gz YWQBPNJJTXLHFN-GOSISDBHSA-N 2 2 284.403 3.281 20 0 CGADLP C[C@H]1CC(CC[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)C1 ZINC001576590063 962476592 /nfs/dbraw/zinc/47/65/92/962476592.db2.gz XRQYMFKGRVTSFH-NFAWXSAZSA-N 2 2 252.446 3.118 20 0 CGADLP C[C@H]1CC(CC[N@H+]2C[C@H]([NH3+])C(C)(C)C2)C[C@H](C)C1 ZINC001576590063 962476601 /nfs/dbraw/zinc/47/66/01/962476601.db2.gz XRQYMFKGRVTSFH-NFAWXSAZSA-N 2 2 252.446 3.118 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@]2(C)CC2(Cl)Cl)[C@H]1C ZINC001576648753 962482982 /nfs/dbraw/zinc/48/29/82/962482982.db2.gz AYHLFOOZGMBDLI-KXNHARMFSA-N 2 2 279.255 3.018 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@]2(C)CC2(Cl)Cl)[C@H]1C ZINC001576648753 962482990 /nfs/dbraw/zinc/48/29/90/962482990.db2.gz AYHLFOOZGMBDLI-KXNHARMFSA-N 2 2 279.255 3.018 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC001578220426 962579435 /nfs/dbraw/zinc/57/94/35/962579435.db2.gz HFZBHPBFLTUUPX-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC001578220426 962579455 /nfs/dbraw/zinc/57/94/55/962579455.db2.gz HFZBHPBFLTUUPX-ZBFHGGJFSA-N 2 2 276.449 3.112 20 0 CGADLP CCc1cccc(F)c1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC001578266802 962587782 /nfs/dbraw/zinc/58/77/82/962587782.db2.gz RMGVNSRWOGPBMA-AWEZNQCLSA-N 2 2 264.388 3.091 20 0 CGADLP CCc1cccc(F)c1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC001578266802 962587796 /nfs/dbraw/zinc/58/77/96/962587796.db2.gz RMGVNSRWOGPBMA-AWEZNQCLSA-N 2 2 264.388 3.091 20 0 CGADLP CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]([NH3+])CCOC)o1 ZINC001578255562 962588040 /nfs/dbraw/zinc/58/80/40/962588040.db2.gz UGHSTOBXHMVRDL-GOEBONIOSA-N 2 2 294.439 3.123 20 0 CGADLP CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H]([NH3+])CCOC)o1 ZINC001578255562 962588049 /nfs/dbraw/zinc/58/80/49/962588049.db2.gz UGHSTOBXHMVRDL-GOEBONIOSA-N 2 2 294.439 3.123 20 0 CGADLP COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2[NH3+])cc1 ZINC001579240633 962622259 /nfs/dbraw/zinc/62/22/59/962622259.db2.gz ZKZBCTMZRJYUMX-ZOCIIQOWSA-N 2 2 296.414 3.183 20 0 CGADLP COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2[NH3+])cc1 ZINC001579240633 962622266 /nfs/dbraw/zinc/62/22/66/962622266.db2.gz ZKZBCTMZRJYUMX-ZOCIIQOWSA-N 2 2 296.414 3.183 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc2cccnc12 ZINC001579600912 962638223 /nfs/dbraw/zinc/63/82/23/962638223.db2.gz DNDCXEANKJAFKJ-SFHVURJKSA-N 2 2 291.398 3.333 20 0 CGADLP Cc1cc(N[C@@H]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c[nH+]c1C ZINC001579635312 962644288 /nfs/dbraw/zinc/64/42/88/962644288.db2.gz DGUQEZBUOZTERQ-FMKPAKJESA-N 2 2 259.397 3.031 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531659 187142257 /nfs/dbraw/zinc/14/22/57/187142257.db2.gz FAQSTOUXKAIFNR-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531659 187142258 /nfs/dbraw/zinc/14/22/58/187142258.db2.gz FAQSTOUXKAIFNR-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449146 214086899 /nfs/dbraw/zinc/08/68/99/214086899.db2.gz RYWGTYXSEALCBV-KBPBESRZSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449146 214086901 /nfs/dbraw/zinc/08/69/01/214086901.db2.gz RYWGTYXSEALCBV-KBPBESRZSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)c1ccncc1 ZINC000651241167 398221117 /nfs/dbraw/zinc/22/11/17/398221117.db2.gz NYOOLHWTLNVZFS-QGZVFWFLSA-N 2 2 294.402 3.321 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337525595 214138109 /nfs/dbraw/zinc/13/81/09/214138109.db2.gz RKQIPBDOKIXABT-FUHWJXTLSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000337565626 214160109 /nfs/dbraw/zinc/16/01/09/214160109.db2.gz YBFVQPNBEDQXRM-GFCCVEGCSA-N 2 2 298.377 3.075 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125097323 187169623 /nfs/dbraw/zinc/16/96/23/187169623.db2.gz JRLZNGKRIHOHJD-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125097323 187169624 /nfs/dbraw/zinc/16/96/24/187169624.db2.gz JRLZNGKRIHOHJD-NSHDSACASA-N 2 2 282.790 3.053 20 0 CGADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000651676219 398267495 /nfs/dbraw/zinc/26/74/95/398267495.db2.gz SONGDGIZPFLXAO-RDJZCZTQSA-N 2 2 275.440 3.320 20 0 CGADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000651667059 398265160 /nfs/dbraw/zinc/26/51/60/398265160.db2.gz WNUBHEYPTXKSPR-CYBMUJFWSA-N 2 2 293.773 3.343 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783996 349586123 /nfs/dbraw/zinc/58/61/23/349586123.db2.gz IBXJWOXMILWJJW-SJLPKXTDSA-N 2 2 288.435 3.132 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783996 349586128 /nfs/dbraw/zinc/58/61/28/349586128.db2.gz IBXJWOXMILWJJW-SJLPKXTDSA-N 2 2 288.435 3.132 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000621734529 349574002 /nfs/dbraw/zinc/57/40/02/349574002.db2.gz OYMDAZLYURDLDB-HZPDHXFCSA-N 2 2 294.389 3.286 20 0 CGADLP FC1(F)C[C@H]1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000621734529 349574007 /nfs/dbraw/zinc/57/40/07/349574007.db2.gz OYMDAZLYURDLDB-HZPDHXFCSA-N 2 2 294.389 3.286 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651707958 398272702 /nfs/dbraw/zinc/27/27/02/398272702.db2.gz AUAPZSFBJKMEJP-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651707958 398272706 /nfs/dbraw/zinc/27/27/06/398272706.db2.gz AUAPZSFBJKMEJP-BZUAXINKSA-N 2 2 250.430 3.029 20 0 CGADLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000096981601 185145152 /nfs/dbraw/zinc/14/51/52/185145152.db2.gz ADVPTXCXXJVOOF-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000096981601 185145154 /nfs/dbraw/zinc/14/51/54/185145154.db2.gz ADVPTXCXXJVOOF-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000096981601 185145155 /nfs/dbraw/zinc/14/51/55/185145155.db2.gz ADVPTXCXXJVOOF-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000096981601 185145157 /nfs/dbraw/zinc/14/51/57/185145157.db2.gz ADVPTXCXXJVOOF-OAHLLOKOSA-N 2 2 294.414 3.141 20 0 CGADLP COCC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C(C)(C)C ZINC000337941229 214321908 /nfs/dbraw/zinc/32/19/08/214321908.db2.gz HLPZFUKZACDQPI-HNNXBMFYSA-N 2 2 289.423 3.184 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337989314 214345495 /nfs/dbraw/zinc/34/54/95/214345495.db2.gz QADJNGAXRJJRKP-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337989314 214345498 /nfs/dbraw/zinc/34/54/98/214345498.db2.gz QADJNGAXRJJRKP-VNQPRFMTSA-N 2 2 250.430 3.029 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000337994456 214349308 /nfs/dbraw/zinc/34/93/08/214349308.db2.gz LNJUHQTUZOGDOA-RBUKOAKNSA-N 2 2 299.462 3.214 20 0 CGADLP CCn1ccnc1C[NH2+]CCC[N@H+](CC)C1CCCCC1 ZINC000651910335 398304705 /nfs/dbraw/zinc/30/47/05/398304705.db2.gz PREZREXBWJNIOV-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP CCn1ccnc1C[NH2+]CCC[N@@H+](CC)C1CCCCC1 ZINC000651910335 398304709 /nfs/dbraw/zinc/30/47/09/398304709.db2.gz PREZREXBWJNIOV-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP CCn1cc[nH+]c1CNCCC[N@H+](CC)C1CCCCC1 ZINC000651910335 398304712 /nfs/dbraw/zinc/30/47/12/398304712.db2.gz PREZREXBWJNIOV-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP CCn1cc[nH+]c1CNCCC[N@@H+](CC)C1CCCCC1 ZINC000651910335 398304716 /nfs/dbraw/zinc/30/47/16/398304716.db2.gz PREZREXBWJNIOV-UHFFFAOYSA-N 2 2 292.471 3.037 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423483417 529453829 /nfs/dbraw/zinc/45/38/29/529453829.db2.gz XTJCGUWBOMNPSW-YPMHNXCESA-N 2 2 275.421 3.198 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423238297 529611692 /nfs/dbraw/zinc/61/16/92/529611692.db2.gz JASAMSDLMVUKNU-MSOLQXFVSA-N 2 2 284.403 3.436 20 0 CGADLP C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089030 349759192 /nfs/dbraw/zinc/75/91/92/349759192.db2.gz RHIMASUGMOLVRH-JSGCOSHPSA-N 2 2 274.399 3.132 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H]1C ZINC000414124221 529630083 /nfs/dbraw/zinc/63/00/83/529630083.db2.gz PGQCYYJRKFAFTA-COXVUDFISA-N 2 2 269.392 3.397 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000270893459 282207669 /nfs/dbraw/zinc/20/76/69/282207669.db2.gz POSGWKHGJNPOCX-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000270893459 282207670 /nfs/dbraw/zinc/20/76/70/282207670.db2.gz POSGWKHGJNPOCX-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423496447 529617797 /nfs/dbraw/zinc/61/77/97/529617797.db2.gz DWAMOVGQXYLZFT-ZACQAIPSSA-N 2 2 258.409 3.027 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000423501091 529618135 /nfs/dbraw/zinc/61/81/35/529618135.db2.gz KYIDLVHAZSNJQK-KKBVYLPWSA-N 2 2 260.425 3.273 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414079930 529632167 /nfs/dbraw/zinc/63/21/67/529632167.db2.gz TZZKROHZURARPY-BMFZPTHFSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000423550387 529656199 /nfs/dbraw/zinc/65/61/99/529656199.db2.gz IICLXBVWFXRLOQ-CABCVRRESA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1F ZINC000368102932 529661084 /nfs/dbraw/zinc/66/10/84/529661084.db2.gz QUWFZRVLHLWYRN-RISCZKNCSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1F ZINC000368102932 529661087 /nfs/dbraw/zinc/66/10/87/529661087.db2.gz QUWFZRVLHLWYRN-RISCZKNCSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000093065398 529667903 /nfs/dbraw/zinc/66/79/03/529667903.db2.gz JCGOMXTYIGMJRG-LBPRGKRZSA-N 2 2 261.344 3.147 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1OC(F)F ZINC000423369754 529673342 /nfs/dbraw/zinc/67/33/42/529673342.db2.gz TUZYFEUAZTWZGQ-UBHSHLNASA-N 2 2 298.377 3.327 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1F ZINC000423356634 529673436 /nfs/dbraw/zinc/67/34/36/529673436.db2.gz GZHFKFQWXWOGBL-ONERCXAPSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000449089825 529681837 /nfs/dbraw/zinc/68/18/37/529681837.db2.gz KZUUPGMIZUQTKT-GOSISDBHSA-N 2 2 287.451 3.214 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC1(C)C ZINC000623406046 349800808 /nfs/dbraw/zinc/80/08/08/349800808.db2.gz HYYLSHOAAOHLJW-LBPRGKRZSA-N 2 2 295.496 3.403 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)CC1(C)C ZINC000623406046 349800811 /nfs/dbraw/zinc/80/08/11/349800811.db2.gz HYYLSHOAAOHLJW-LBPRGKRZSA-N 2 2 295.496 3.403 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445832 349811501 /nfs/dbraw/zinc/81/15/01/349811501.db2.gz GXBZHECUIINJKI-FZMZJTMJSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3c2cccc3Cl)CC1(C)C ZINC000623445832 349811504 /nfs/dbraw/zinc/81/15/04/349811504.db2.gz GXBZHECUIINJKI-FZMZJTMJSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830057 187265133 /nfs/dbraw/zinc/26/51/33/187265133.db2.gz OTYVERYVEMYLPJ-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000126830057 187265135 /nfs/dbraw/zinc/26/51/35/187265135.db2.gz OTYVERYVEMYLPJ-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CF)CC1 ZINC000295039570 199314746 /nfs/dbraw/zinc/31/47/46/199314746.db2.gz MKYVGLBMBJGJKH-UHFFFAOYSA-N 2 2 250.361 3.004 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131453 529808593 /nfs/dbraw/zinc/80/85/93/529808593.db2.gz AGBUSTUXMVDJJG-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131453 529808594 /nfs/dbraw/zinc/80/85/94/529808594.db2.gz AGBUSTUXMVDJJG-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131453 529808595 /nfs/dbraw/zinc/80/85/95/529808595.db2.gz AGBUSTUXMVDJJG-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3[nH]2)C1 ZINC000368131453 529808596 /nfs/dbraw/zinc/80/85/96/529808596.db2.gz AGBUSTUXMVDJJG-QAPCUYQASA-N 2 2 283.419 3.084 20 0 CGADLP C[N@H+](CCCCNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000413346123 529882525 /nfs/dbraw/zinc/88/25/25/529882525.db2.gz HHHQCNJQVIJLTD-UHFFFAOYSA-N 2 2 287.382 3.082 20 0 CGADLP C[N@@H+](CCCCNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000413346123 529882526 /nfs/dbraw/zinc/88/25/26/529882526.db2.gz HHHQCNJQVIJLTD-UHFFFAOYSA-N 2 2 287.382 3.082 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000623728275 349872116 /nfs/dbraw/zinc/87/21/16/349872116.db2.gz GDUJHHCNMAMUJZ-JXCVUKRWSA-N 2 2 288.410 3.445 20 0 CGADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000623728275 349872121 /nfs/dbraw/zinc/87/21/21/349872121.db2.gz GDUJHHCNMAMUJZ-JXCVUKRWSA-N 2 2 288.410 3.445 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000435886266 529964999 /nfs/dbraw/zinc/96/49/99/529964999.db2.gz VHHBVSJFAXUMKS-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000435886266 529965000 /nfs/dbraw/zinc/96/50/00/529965000.db2.gz VHHBVSJFAXUMKS-CQSZACIVSA-N 2 2 297.240 3.196 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000171709457 529986081 /nfs/dbraw/zinc/98/60/81/529986081.db2.gz RYJNOFIPZZPKRK-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000171709457 529986083 /nfs/dbraw/zinc/98/60/83/529986083.db2.gz RYJNOFIPZZPKRK-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000171709457 529986085 /nfs/dbraw/zinc/98/60/85/529986085.db2.gz RYJNOFIPZZPKRK-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000171709457 529986087 /nfs/dbraw/zinc/98/60/87/529986087.db2.gz RYJNOFIPZZPKRK-LLVKDONJSA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1ccon1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411285145 530013716 /nfs/dbraw/zinc/01/37/16/530013716.db2.gz QUFDWPZXVXKTIM-UHFFFAOYSA-N 2 2 299.418 3.293 20 0 CGADLP C[N@@H+](Cc1ccon1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411285145 530013717 /nfs/dbraw/zinc/01/37/17/530013717.db2.gz QUFDWPZXVXKTIM-UHFFFAOYSA-N 2 2 299.418 3.293 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156164252 530057950 /nfs/dbraw/zinc/05/79/50/530057950.db2.gz CEFWRAWRSZKACN-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000156164252 530057951 /nfs/dbraw/zinc/05/79/51/530057951.db2.gz CEFWRAWRSZKACN-GFCCVEGCSA-N 2 2 290.304 3.028 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000040623845 344964833 /nfs/dbraw/zinc/96/48/33/344964833.db2.gz GUDLDFLBVMSSPJ-CQSZACIVSA-N 2 2 276.428 3.051 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000040623845 344964836 /nfs/dbraw/zinc/96/48/36/344964836.db2.gz GUDLDFLBVMSSPJ-CQSZACIVSA-N 2 2 276.428 3.051 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040671655 344965128 /nfs/dbraw/zinc/96/51/28/344965128.db2.gz GADHMDWDIBDQGJ-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040671655 344965131 /nfs/dbraw/zinc/96/51/31/344965131.db2.gz GADHMDWDIBDQGJ-MRXNPFEDSA-N 2 2 254.377 3.024 20 0 CGADLP c1cn(CCCC[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000045106410 345021075 /nfs/dbraw/zinc/02/10/75/345021075.db2.gz MYOFDFNDXCIDGQ-QGZVFWFLSA-N 2 2 269.392 3.404 20 0 CGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000073069486 345429287 /nfs/dbraw/zinc/42/92/87/345429287.db2.gz JAROOPGMPRQXMG-UHFFFAOYSA-N 2 2 295.386 3.238 20 0 CGADLP C[C@@H](CC[NH2+][C@@H]1CCCc2scnc21)[NH+]1CCCCC1 ZINC000623959651 349928754 /nfs/dbraw/zinc/92/87/54/349928754.db2.gz XIJLKMMKYMWTSH-UONOGXRCSA-N 2 2 293.480 3.375 20 0 CGADLP COc1ccc(F)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860217 345524758 /nfs/dbraw/zinc/52/47/58/345524758.db2.gz PGXAEWZBNKURME-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860217 345524762 /nfs/dbraw/zinc/52/47/62/345524762.db2.gz PGXAEWZBNKURME-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860217 345524765 /nfs/dbraw/zinc/52/47/65/345524765.db2.gz PGXAEWZBNKURME-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860217 345524770 /nfs/dbraw/zinc/52/47/70/345524770.db2.gz PGXAEWZBNKURME-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000623970370 349932453 /nfs/dbraw/zinc/93/24/53/349932453.db2.gz MKHFCHPDFDKANV-CYBMUJFWSA-N 2 2 281.469 3.224 20 0 CGADLP Cc1nc2[nH]ccc2c(NCCC[NH+](C(C)C)C(C)C)[nH+]1 ZINC000081009282 345695024 /nfs/dbraw/zinc/69/50/24/345695024.db2.gz URBNKNOUYSGXGX-UHFFFAOYSA-N 2 2 289.427 3.187 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c2ccncc12 ZINC000085653174 345747030 /nfs/dbraw/zinc/74/70/30/345747030.db2.gz JKHSXBVQOFTZJT-CQSZACIVSA-N 2 2 284.407 3.306 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c2ccncc12 ZINC000085653174 345747031 /nfs/dbraw/zinc/74/70/31/345747031.db2.gz JKHSXBVQOFTZJT-CQSZACIVSA-N 2 2 284.407 3.306 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479534 345815685 /nfs/dbraw/zinc/81/56/85/345815685.db2.gz NBYUMRKMCMJYNY-GFCCVEGCSA-N 2 2 296.349 3.481 20 0 CGADLP CC1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000089555252 345770933 /nfs/dbraw/zinc/77/09/33/345770933.db2.gz UOHVXHSIKCTMRH-UHFFFAOYSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1C ZINC000090047494 345779596 /nfs/dbraw/zinc/77/95/96/345779596.db2.gz KSYFWLZVWWXNPW-DLBZAZTESA-N 2 2 290.451 3.065 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000090047719 345779604 /nfs/dbraw/zinc/77/96/04/345779604.db2.gz UUXJCTRPTVWDKN-HZPDHXFCSA-N 2 2 290.451 3.010 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000090847095 345796255 /nfs/dbraw/zinc/79/62/55/345796255.db2.gz CYHQBRLKHQSYGX-ZDUSSCGKSA-N 2 2 258.340 3.422 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644812 219161562 /nfs/dbraw/zinc/16/15/62/219161562.db2.gz SUYJUTGUJFIHPC-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644812 219161564 /nfs/dbraw/zinc/16/15/64/219161564.db2.gz SUYJUTGUJFIHPC-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644812 219161566 /nfs/dbraw/zinc/16/15/66/219161566.db2.gz SUYJUTGUJFIHPC-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2F)C[C@@H]1C ZINC000351644812 219161568 /nfs/dbraw/zinc/16/15/68/219161568.db2.gz SUYJUTGUJFIHPC-DZGCQCFKSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc[nH+]c1NCCC[N@H+](C)Cc1ccccc1 ZINC000127733480 346033931 /nfs/dbraw/zinc/03/39/31/346033931.db2.gz LLHNVDZFGOZXRY-UHFFFAOYSA-N 2 2 285.391 3.024 20 0 CGADLP COc1ccc[nH+]c1NCCC[N@@H+](C)Cc1ccccc1 ZINC000127733480 346033933 /nfs/dbraw/zinc/03/39/33/346033933.db2.gz LLHNVDZFGOZXRY-UHFFFAOYSA-N 2 2 285.391 3.024 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000142491081 346111426 /nfs/dbraw/zinc/11/14/26/346111426.db2.gz AQPVTFFIPCSISC-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000142491081 346111428 /nfs/dbraw/zinc/11/14/28/346111428.db2.gz AQPVTFFIPCSISC-CYBMUJFWSA-N 2 2 260.406 3.215 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000157881443 346162619 /nfs/dbraw/zinc/16/26/19/346162619.db2.gz FZGUROQDJWGUOQ-UHFFFAOYSA-N 2 2 282.472 3.188 20 0 CGADLP CC1CCC([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000236688554 346342272 /nfs/dbraw/zinc/34/22/72/346342272.db2.gz JGJQEAXSLGGYCT-VMWRSERWSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000300248488 346436612 /nfs/dbraw/zinc/43/66/12/346436612.db2.gz POOJGKAPPRFYDP-OCCSQVGLSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000300248488 346436617 /nfs/dbraw/zinc/43/66/17/346436617.db2.gz POOJGKAPPRFYDP-OCCSQVGLSA-N 2 2 266.816 3.221 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000582594997 346678532 /nfs/dbraw/zinc/67/85/32/346678532.db2.gz FWCVZBOIRVNXNC-CQSZACIVSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1cc(C)cc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000594732830 347214341 /nfs/dbraw/zinc/21/43/41/347214341.db2.gz DUWQCTXVYAWGEE-UHFFFAOYSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000595017685 347258809 /nfs/dbraw/zinc/25/88/09/347258809.db2.gz MVHQGNAWLKQSGE-ZIAGYGMSSA-N 2 2 290.492 3.178 20 0 CGADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000595017685 347258812 /nfs/dbraw/zinc/25/88/12/347258812.db2.gz MVHQGNAWLKQSGE-ZIAGYGMSSA-N 2 2 290.492 3.178 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847538 219224276 /nfs/dbraw/zinc/22/42/76/219224276.db2.gz AGHASZVLJFEGOR-OCCSQVGLSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000351847538 219224279 /nfs/dbraw/zinc/22/42/79/219224279.db2.gz AGHASZVLJFEGOR-OCCSQVGLSA-N 2 2 293.480 3.360 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000605576153 348163257 /nfs/dbraw/zinc/16/32/57/348163257.db2.gz ZHBXKAMWPPTVNG-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1ccc(CC[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000605576153 348163261 /nfs/dbraw/zinc/16/32/61/348163261.db2.gz ZHBXKAMWPPTVNG-IBGZPJMESA-N 2 2 286.463 3.488 20 0 CGADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606432932 348182087 /nfs/dbraw/zinc/18/20/87/348182087.db2.gz ZUHJLURJVRGCIZ-MRXNPFEDSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606432932 348182094 /nfs/dbraw/zinc/18/20/94/348182094.db2.gz ZUHJLURJVRGCIZ-MRXNPFEDSA-N 2 2 269.392 3.337 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000351973169 219270315 /nfs/dbraw/zinc/27/03/15/219270315.db2.gz BBOZSJOFENYGAW-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000351973169 219270320 /nfs/dbraw/zinc/27/03/20/219270320.db2.gz BBOZSJOFENYGAW-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000351973169 219270322 /nfs/dbraw/zinc/27/03/22/219270322.db2.gz BBOZSJOFENYGAW-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000351973169 219270325 /nfs/dbraw/zinc/27/03/25/219270325.db2.gz BBOZSJOFENYGAW-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000624188853 349996367 /nfs/dbraw/zinc/99/63/67/349996367.db2.gz IJRDLIVQIDQCPU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCCC1 ZINC000624188853 349996368 /nfs/dbraw/zinc/99/63/68/349996368.db2.gz IJRDLIVQIDQCPU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090173 233056728 /nfs/dbraw/zinc/05/67/28/233056728.db2.gz VTEBQBLAUPAAQI-NHCYSSNCSA-N 2 2 286.341 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090173 233056730 /nfs/dbraw/zinc/05/67/30/233056730.db2.gz VTEBQBLAUPAAQI-NHCYSSNCSA-N 2 2 286.341 3.237 20 0 CGADLP Cc1ccn2c(CNc3cc4c(c[nH+]3)CCC4)c[nH+]c2c1 ZINC000339552153 215241417 /nfs/dbraw/zinc/24/14/17/215241417.db2.gz AZIOFQKFSZFKLG-UHFFFAOYSA-N 2 2 278.359 3.139 20 0 CGADLP Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000620119762 349325624 /nfs/dbraw/zinc/32/56/24/349325624.db2.gz LHTPWCHJCUXCNC-UHFFFAOYSA-N 2 2 297.333 3.007 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000271281621 191048448 /nfs/dbraw/zinc/04/84/48/191048448.db2.gz PLKSKZPPQFAQCQ-RHSMWYFYSA-N 2 2 299.418 3.283 20 0 CGADLP Cc1csc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCC2)n1 ZINC000271282508 191047973 /nfs/dbraw/zinc/04/79/73/191047973.db2.gz QMQLYZLSDQATBL-UHFFFAOYSA-N 2 2 298.415 3.268 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000271281621 191048445 /nfs/dbraw/zinc/04/84/45/191048445.db2.gz PLKSKZPPQFAQCQ-RHSMWYFYSA-N 2 2 299.418 3.283 20 0 CGADLP Clc1cccc(SCC[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625435149 350171125 /nfs/dbraw/zinc/17/11/25/350171125.db2.gz NNMIXXWFEAJRKZ-UHFFFAOYSA-N 2 2 293.823 3.214 20 0 CGADLP Clc1cccc(SCC[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625435149 350171128 /nfs/dbraw/zinc/17/11/28/350171128.db2.gz NNMIXXWFEAJRKZ-UHFFFAOYSA-N 2 2 293.823 3.214 20 0 CGADLP FC1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000625767484 350209594 /nfs/dbraw/zinc/20/95/94/350209594.db2.gz BSNNVHWMDFQGJR-UHFFFAOYSA-N 2 2 291.345 3.494 20 0 CGADLP FC1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000625767484 350209597 /nfs/dbraw/zinc/20/95/97/350209597.db2.gz BSNNVHWMDFQGJR-UHFFFAOYSA-N 2 2 291.345 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2)c[nH+]1 ZINC000625773812 350211567 /nfs/dbraw/zinc/21/15/67/350211567.db2.gz DBHAQEBUZUVRBE-SJORKVTESA-N 2 2 299.443 3.342 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2)c[nH+]1 ZINC000625773812 350211568 /nfs/dbraw/zinc/21/15/68/350211568.db2.gz DBHAQEBUZUVRBE-SJORKVTESA-N 2 2 299.443 3.342 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@]1(C)CCCS1)Cc1ccccc1 ZINC000628199828 350436939 /nfs/dbraw/zinc/43/69/39/350436939.db2.gz KCDWHVMLEYEJJH-SJORKVTESA-N 2 2 292.492 3.035 20 0 CGADLP Cc1[nH]c(CN(C)C(C)(C)C[NH+]2CCCCCC2)[nH+]c1C ZINC000628242166 350462907 /nfs/dbraw/zinc/46/29/07/350462907.db2.gz ULIUDBHDDBJBKW-UHFFFAOYSA-N 2 2 292.471 3.113 20 0 CGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000628210007 350440970 /nfs/dbraw/zinc/44/09/70/350440970.db2.gz CUYDLHNGSHDDLY-UHFFFAOYSA-N 2 2 291.439 3.036 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C3CC(F)(F)C3)cn21 ZINC000628323209 350501227 /nfs/dbraw/zinc/50/12/27/350501227.db2.gz GOVHAGRXQBUVNA-LBPRGKRZSA-N 2 2 293.361 3.209 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000629525977 350702509 /nfs/dbraw/zinc/70/25/09/350702509.db2.gz IAIBGSILNIXCNP-SOUVJXGZSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CCCO2 ZINC000629535789 350705155 /nfs/dbraw/zinc/70/51/55/350705155.db2.gz DQTZDANWLVXFOS-BFYDXBDKSA-N 2 2 288.435 3.247 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[NH2+]1 ZINC000629541411 350707310 /nfs/dbraw/zinc/70/73/10/350707310.db2.gz UVXIDRRUMAEAJU-LALPHHSUSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CCC2 ZINC000629541375 350707394 /nfs/dbraw/zinc/70/73/94/350707394.db2.gz URQCGNUJSDDEJF-UKPHBRMFSA-N 2 2 258.409 3.103 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629542552 350707493 /nfs/dbraw/zinc/70/74/93/350707493.db2.gz FSISBAGMPOXOMP-AHIWAGSCSA-N 2 2 288.435 3.148 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[NH2+]1 ZINC000629541413 350707785 /nfs/dbraw/zinc/70/77/85/350707785.db2.gz UVXIDRRUMAEAJU-XUJVJEKNSA-N 2 2 294.826 3.284 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C[NH2+]1 ZINC000629542759 350708616 /nfs/dbraw/zinc/70/86/16/350708616.db2.gz LCFMKQHGNPZGOF-ZLDLUXBVSA-N 2 2 294.826 3.284 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629543351 350708643 /nfs/dbraw/zinc/70/86/43/350708643.db2.gz YYVSBLPSWIQLLW-COXVUDFISA-N 2 2 258.409 3.176 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H]3C)ccc2c1 ZINC000629544529 350709673 /nfs/dbraw/zinc/70/96/73/350709673.db2.gz AFJYKBAVJWVDAX-ZJNRKIDTSA-N 2 2 284.403 3.249 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000629547130 350710200 /nfs/dbraw/zinc/71/02/00/350710200.db2.gz GRHZMHIVXWWZND-IVZWLZJFSA-N 2 2 258.818 3.193 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549468 350710960 /nfs/dbraw/zinc/71/09/60/350710960.db2.gz WFWYSTLCKDRZSQ-SGMGOOAPSA-N 2 2 258.365 3.142 20 0 CGADLP Fc1cccc(F)c1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000629556804 350712959 /nfs/dbraw/zinc/71/29/59/350712959.db2.gz ZAWFJFROYXIYCB-FUNVUKJBSA-N 2 2 292.373 3.217 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629397274 350688355 /nfs/dbraw/zinc/68/83/55/350688355.db2.gz YBQKXZZDBUVQIF-STQMWFEESA-N 2 2 272.392 3.225 20 0 CGADLP Cc1[nH]cc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)[nH+]1 ZINC000629702605 350745076 /nfs/dbraw/zinc/74/50/76/350745076.db2.gz QKZPBFJTXGZQPL-GFCCVEGCSA-N 2 2 255.365 3.369 20 0 CGADLP Cc1[nH]cc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)[nH+]1 ZINC000629702605 350745079 /nfs/dbraw/zinc/74/50/79/350745079.db2.gz QKZPBFJTXGZQPL-GFCCVEGCSA-N 2 2 255.365 3.369 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@]34C[C@H]3CCCC4)n2c1 ZINC000631225408 350997335 /nfs/dbraw/zinc/99/73/35/350997335.db2.gz IFMGYBDSKXNFMC-CZUORRHYSA-N 2 2 255.365 3.065 20 0 CGADLP c1cn(C2CCN(c3cc4ccccc4c[nH+]3)CC2)c[nH+]1 ZINC000631086234 350949424 /nfs/dbraw/zinc/94/94/24/350949424.db2.gz PVJPAXABAKMDSU-UHFFFAOYSA-N 2 2 278.359 3.273 20 0 CGADLP COCCC[NH+]1CCC(Nc2cc3ccccc3c[nH+]2)CC1 ZINC000631095936 350952738 /nfs/dbraw/zinc/95/27/38/350952738.db2.gz QLBTZFPUQVJBMB-UHFFFAOYSA-N 2 2 299.418 3.148 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000631571543 351070835 /nfs/dbraw/zinc/07/08/35/351070835.db2.gz FYQZOIAHHWNGKX-ZBFHGGJFSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000631571543 351070839 /nfs/dbraw/zinc/07/08/39/351070839.db2.gz FYQZOIAHHWNGKX-ZBFHGGJFSA-N 2 2 285.435 3.173 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823673 351148985 /nfs/dbraw/zinc/14/89/85/351148985.db2.gz KWQLXTPTPPJYFX-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC000631823673 351148989 /nfs/dbraw/zinc/14/89/89/351148989.db2.gz KWQLXTPTPPJYFX-BDAKNGLRSA-N 2 2 291.197 3.302 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1Cl ZINC000631889368 351152560 /nfs/dbraw/zinc/15/25/60/351152560.db2.gz FAEHEZLJOHECHU-DOMZBBRYSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1Cl ZINC000631889368 351152561 /nfs/dbraw/zinc/15/25/61/351152561.db2.gz FAEHEZLJOHECHU-DOMZBBRYSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1cccc2[nH+]c(CNc3cccc(C[NH+](C)C)c3)cn21 ZINC000634573647 351520666 /nfs/dbraw/zinc/52/06/66/351520666.db2.gz AYJMDWMWDBIGEQ-UHFFFAOYSA-N 2 2 294.402 3.316 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733678 351579848 /nfs/dbraw/zinc/57/98/48/351579848.db2.gz KYNDMZKSFXKPEK-GFCCVEGCSA-N 2 2 295.496 3.308 20 0 CGADLP Cc1cc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])nc(C2CC2)[nH+]1 ZINC000634811757 351589367 /nfs/dbraw/zinc/58/93/67/351589367.db2.gz PKHBFPRUHCZVSL-IUODEOHRSA-N 2 2 288.439 3.006 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336497330 213371139 /nfs/dbraw/zinc/37/11/39/213371139.db2.gz SOEKMEBUVLQSIE-JKSUJKDBSA-N 2 2 283.419 3.474 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994467 187064663 /nfs/dbraw/zinc/06/46/63/187064663.db2.gz LZXOXWWJMVTJAA-SLEUVZQESA-N 2 2 262.372 3.102 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000122994467 187064664 /nfs/dbraw/zinc/06/46/64/187064664.db2.gz LZXOXWWJMVTJAA-SLEUVZQESA-N 2 2 262.372 3.102 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000271548194 191206146 /nfs/dbraw/zinc/20/61/46/191206146.db2.gz UNADURXAYQYKRL-AWEZNQCLSA-N 2 2 282.387 3.218 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000365624317 234118439 /nfs/dbraw/zinc/11/84/39/234118439.db2.gz HDPWKDDDUZYITL-GOSISDBHSA-N 2 2 295.430 3.288 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000365624317 234118442 /nfs/dbraw/zinc/11/84/42/234118442.db2.gz HDPWKDDDUZYITL-GOSISDBHSA-N 2 2 295.430 3.288 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]CCC1CCCCCC1)C2 ZINC000365611066 234116082 /nfs/dbraw/zinc/11/60/82/234116082.db2.gz GXSPTUVSJLXOJK-CQSZACIVSA-N 2 2 261.413 3.217 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]CCC1CCCCCC1)CC2 ZINC000365611066 234116083 /nfs/dbraw/zinc/11/60/83/234116083.db2.gz GXSPTUVSJLXOJK-CQSZACIVSA-N 2 2 261.413 3.217 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103680 234284434 /nfs/dbraw/zinc/28/44/34/234284434.db2.gz XWTCFCWAVVSSMQ-OEAJRASXSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368103680 234284437 /nfs/dbraw/zinc/28/44/37/234284437.db2.gz XWTCFCWAVVSSMQ-OEAJRASXSA-N 2 2 281.403 3.049 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)no1 ZINC000368454022 234310707 /nfs/dbraw/zinc/31/07/07/234310707.db2.gz IUSCHKCDFQNJHS-ZDUSSCGKSA-N 2 2 282.347 3.020 20 0 CGADLP C[N@H+](CCc1nccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000158010339 188352291 /nfs/dbraw/zinc/35/22/91/188352291.db2.gz CBCGRZZUUFTDHU-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP C[N@@H+](CCc1nccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000158010339 188352293 /nfs/dbraw/zinc/35/22/93/188352293.db2.gz CBCGRZZUUFTDHU-UHFFFAOYSA-N 2 2 298.415 3.003 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271725052 191292000 /nfs/dbraw/zinc/29/20/00/191292000.db2.gz SEVSAZDGVPNQIT-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271725052 191292003 /nfs/dbraw/zinc/29/20/03/191292003.db2.gz SEVSAZDGVPNQIT-UHFFFAOYSA-N 2 2 287.407 3.192 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427884570 283008105 /nfs/dbraw/zinc/00/81/05/283008105.db2.gz GUBKBXXNKMZWEW-GOEBONIOSA-N 2 2 285.366 3.004 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCc2cn(C)c[nH+]2)C2CCC2)cc1 ZINC000414131314 235343774 /nfs/dbraw/zinc/34/37/74/235343774.db2.gz ZCCHTKWTCIUSPH-SFHVURJKSA-N 2 2 283.419 3.402 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)C2CCCC2)o1 ZINC000414120825 235341111 /nfs/dbraw/zinc/34/11/11/235341111.db2.gz DUPBZJRUHYMWAU-QGZVFWFLSA-N 2 2 287.407 3.385 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@@H+]1C1CC1 ZINC000414226609 235369009 /nfs/dbraw/zinc/36/90/09/235369009.db2.gz JZMAMYFIBMYMCG-ZFWWWQNUSA-N 2 2 287.451 3.094 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnccc2C(C)(C)C)C[N@H+]1C1CC1 ZINC000414226609 235369012 /nfs/dbraw/zinc/36/90/12/235369012.db2.gz JZMAMYFIBMYMCG-ZFWWWQNUSA-N 2 2 287.451 3.094 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000124280272 138373745 /nfs/dbraw/zinc/37/37/45/138373745.db2.gz LQQMJRVTLRAHTF-UHFFFAOYSA-N 2 2 270.779 3.055 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nccs1 ZINC000423168981 235986007 /nfs/dbraw/zinc/98/60/07/235986007.db2.gz IHXQSSLOZORVSR-NWANDNLSSA-N 2 2 287.432 3.287 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)nc2C)CC1 ZINC000187119139 138446652 /nfs/dbraw/zinc/44/66/52/138446652.db2.gz YLGPRNFSGDWEEW-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)nc2C)CC1 ZINC000187119139 138446653 /nfs/dbraw/zinc/44/66/53/138446653.db2.gz YLGPRNFSGDWEEW-UHFFFAOYSA-N 2 2 275.440 3.005 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)o1 ZINC000423229399 236003463 /nfs/dbraw/zinc/00/34/63/236003463.db2.gz BDVMVKPSELPPCD-DZGCQCFKSA-N 2 2 270.376 3.349 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423235629 236005904 /nfs/dbraw/zinc/00/59/04/236005904.db2.gz GTCXJVDYHGJINI-GXTWGEPZSA-N 2 2 260.406 3.407 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423264623 236013784 /nfs/dbraw/zinc/01/37/84/236013784.db2.gz AJUCEPNQNOUBGB-SKDRFNHKSA-N 2 2 281.469 3.137 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423500657 236088431 /nfs/dbraw/zinc/08/84/31/236088431.db2.gz CWHPPOCFRRWGOV-ZYSHUDEJSA-N 2 2 280.415 3.401 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427850715 236348981 /nfs/dbraw/zinc/34/89/81/236348981.db2.gz JCMXACKYIVRMNQ-DOTOQJQBSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427856718 236350115 /nfs/dbraw/zinc/35/01/15/236350115.db2.gz XEQQPJBDCFESAL-VBHSOAQHSA-N 2 2 299.393 3.250 20 0 CGADLP FC1(F)CCCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000294683992 199133100 /nfs/dbraw/zinc/13/31/00/199133100.db2.gz BIUPAMPDWZLVQO-LBPRGKRZSA-N 2 2 279.334 3.249 20 0 CGADLP CC(=O)c1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000294945440 199263411 /nfs/dbraw/zinc/26/34/11/199263411.db2.gz JZBTXMSMZLZEND-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000294945440 199263412 /nfs/dbraw/zinc/26/34/12/199263412.db2.gz JZBTXMSMZLZEND-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000294945440 199263414 /nfs/dbraw/zinc/26/34/14/199263414.db2.gz JZBTXMSMZLZEND-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP CC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000294945440 199263415 /nfs/dbraw/zinc/26/34/15/199263415.db2.gz JZBTXMSMZLZEND-GOSISDBHSA-N 2 2 288.435 3.195 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@@H+]1C1CC1 ZINC000436286508 237070950 /nfs/dbraw/zinc/07/09/50/237070950.db2.gz RFGGUQZSTRBUNJ-DGCLKSJQSA-N 2 2 287.382 3.022 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C[N@H+]1C1CC1 ZINC000436286508 237070962 /nfs/dbraw/zinc/07/09/62/237070962.db2.gz RFGGUQZSTRBUNJ-DGCLKSJQSA-N 2 2 287.382 3.022 20 0 CGADLP C[NH+](C)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000341740200 216084492 /nfs/dbraw/zinc/08/44/92/216084492.db2.gz CYCPFGOHKYWHNW-OAHLLOKOSA-N 2 2 266.816 3.332 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297967502 200310680 /nfs/dbraw/zinc/31/06/80/200310680.db2.gz WXPLLIPPDFUOIQ-KRWDZBQOSA-N 2 2 285.435 3.224 20 0 CGADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297967502 200310682 /nfs/dbraw/zinc/31/06/82/200310682.db2.gz WXPLLIPPDFUOIQ-KRWDZBQOSA-N 2 2 285.435 3.224 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423225515 283532900 /nfs/dbraw/zinc/53/29/00/283532900.db2.gz NBFPGJWMLYRWPO-NSHDSACASA-N 2 2 294.345 3.311 20 0 CGADLP CC(C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177360914 189045768 /nfs/dbraw/zinc/04/57/68/189045768.db2.gz LFYBBJAZQSMEGM-HNNXBMFYSA-N 2 2 284.407 3.135 20 0 CGADLP CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177360914 189045769 /nfs/dbraw/zinc/04/57/69/189045769.db2.gz LFYBBJAZQSMEGM-HNNXBMFYSA-N 2 2 284.407 3.135 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000178264008 189101172 /nfs/dbraw/zinc/10/11/72/189101172.db2.gz PKVHNDUUSNXYEI-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000178264008 189101173 /nfs/dbraw/zinc/10/11/73/189101173.db2.gz PKVHNDUUSNXYEI-WMZOPIPTSA-N 2 2 290.451 3.056 20 0 CGADLP c1cn(C2CC[NH+](Cc3cc4ccccc4o3)CC2)c[nH+]1 ZINC000178532621 189125137 /nfs/dbraw/zinc/12/51/37/189125137.db2.gz YFRULACCEULWRD-UHFFFAOYSA-N 2 2 281.359 3.466 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179479279 189197326 /nfs/dbraw/zinc/19/73/26/189197326.db2.gz SXXHBTXAQZNOOR-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179479279 189197327 /nfs/dbraw/zinc/19/73/27/189197327.db2.gz SXXHBTXAQZNOOR-OCCSQVGLSA-N 2 2 290.798 3.015 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000179676979 189212842 /nfs/dbraw/zinc/21/28/42/189212842.db2.gz XFKWWFMFMFZVRH-LLVKDONJSA-N 2 2 281.762 3.417 20 0 CGADLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301429089 201004584 /nfs/dbraw/zinc/00/45/84/201004584.db2.gz PYJDHMIVWWLREF-UHFFFAOYSA-N 2 2 287.411 3.306 20 0 CGADLP Clc1c[nH+]ccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301575176 201077839 /nfs/dbraw/zinc/07/78/39/201077839.db2.gz SJELROMMVZYVJH-CYBMUJFWSA-N 2 2 279.815 3.411 20 0 CGADLP Clc1c[nH+]ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301575176 201077842 /nfs/dbraw/zinc/07/78/42/201077842.db2.gz SJELROMMVZYVJH-CYBMUJFWSA-N 2 2 279.815 3.411 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182799573 189335978 /nfs/dbraw/zinc/33/59/78/189335978.db2.gz VTPQPVFCZZEAQA-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182799573 189335979 /nfs/dbraw/zinc/33/59/79/189335979.db2.gz VTPQPVFCZZEAQA-YOEHRIQHSA-N 2 2 287.382 3.495 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000449048936 239142658 /nfs/dbraw/zinc/14/26/58/239142658.db2.gz QVRPWHXELXJIBG-SFHVURJKSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000449048936 239142665 /nfs/dbraw/zinc/14/26/65/239142665.db2.gz QVRPWHXELXJIBG-SFHVURJKSA-N 2 2 282.387 3.086 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCC4)CC2)nc1 ZINC000449087423 239168005 /nfs/dbraw/zinc/16/80/05/239168005.db2.gz FUAOFWAXVRRMQZ-SFHVURJKSA-N 2 2 299.462 3.358 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000449373420 239359545 /nfs/dbraw/zinc/35/95/45/239359545.db2.gz RGZPGOOJUYZSAY-GZBFAFLISA-N 2 2 276.399 3.410 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1F ZINC000449373420 239359553 /nfs/dbraw/zinc/35/95/53/239359553.db2.gz RGZPGOOJUYZSAY-GZBFAFLISA-N 2 2 276.399 3.410 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000119736214 370704439 /nfs/dbraw/zinc/70/44/39/370704439.db2.gz GMDDAJKXPIUUIY-GFCCVEGCSA-N 2 2 262.397 3.119 20 0 CGADLP CCC(CC)[N@H+](CCc1c[nH+]cn1C)CC(C)C ZINC000459346153 242082604 /nfs/dbraw/zinc/08/26/04/242082604.db2.gz BNZJLOFQLUFRPO-UHFFFAOYSA-N 2 2 251.418 3.109 20 0 CGADLP CCC(CC)[N@@H+](CCc1c[nH+]cn1C)CC(C)C ZINC000459346153 242082609 /nfs/dbraw/zinc/08/26/09/242082609.db2.gz BNZJLOFQLUFRPO-UHFFFAOYSA-N 2 2 251.418 3.109 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459589066 242139602 /nfs/dbraw/zinc/13/96/02/242139602.db2.gz XGLNNKZGRYPHRW-UHFFFAOYSA-N 2 2 275.421 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459589066 242139609 /nfs/dbraw/zinc/13/96/09/242139609.db2.gz XGLNNKZGRYPHRW-UHFFFAOYSA-N 2 2 275.421 3.090 20 0 CGADLP C[N@H+](Cc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616652 370878677 /nfs/dbraw/zinc/87/86/77/370878677.db2.gz ZHOOEVKJHXQUKA-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[N@@H+](Cc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121616652 370878683 /nfs/dbraw/zinc/87/86/83/370878683.db2.gz ZHOOEVKJHXQUKA-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000537656123 376192541 /nfs/dbraw/zinc/19/25/41/376192541.db2.gz CRACDMIDFYTZKO-OAGGEKHMSA-N 2 2 263.429 3.468 20 0 CGADLP CC1CC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000480770517 243163165 /nfs/dbraw/zinc/16/31/65/243163165.db2.gz LKCSENLXXRWQTO-IUPXNIOVSA-N 2 2 272.436 3.285 20 0 CGADLP CC1CC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000480770517 243163167 /nfs/dbraw/zinc/16/31/67/243163167.db2.gz LKCSENLXXRWQTO-IUPXNIOVSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000480772157 243164216 /nfs/dbraw/zinc/16/42/16/243164216.db2.gz PVROXTUHJALWMZ-BMFZPTHFSA-N 2 2 260.425 3.314 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000480772157 243164218 /nfs/dbraw/zinc/16/42/18/243164218.db2.gz PVROXTUHJALWMZ-BMFZPTHFSA-N 2 2 260.425 3.314 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[NH+]2CCCC2)C(C)C)cc1 ZINC000480010508 243134262 /nfs/dbraw/zinc/13/42/62/243134262.db2.gz FBDUFHMONYOYFZ-GOSISDBHSA-N 2 2 274.452 3.248 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482884933 243248667 /nfs/dbraw/zinc/24/86/67/243248667.db2.gz GHUAMDKWVAHWQI-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482884933 243248671 /nfs/dbraw/zinc/24/86/71/243248671.db2.gz GHUAMDKWVAHWQI-IAGOWNOFSA-N 2 2 282.472 3.046 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C2CC2)c1 ZINC000482536682 243232449 /nfs/dbraw/zinc/23/24/49/243232449.db2.gz MUYMJVYLDLBNQT-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP Cc1cccc(C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C2CC2)c1 ZINC000482536682 243232453 /nfs/dbraw/zinc/23/24/53/243232453.db2.gz MUYMJVYLDLBNQT-KXBFYZLASA-N 2 2 286.463 3.388 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC1(C)C ZINC000486981025 243390314 /nfs/dbraw/zinc/39/03/14/243390314.db2.gz MAWYSEBGCYWMOC-DOTOQJQBSA-N 2 2 297.446 3.498 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020091966 368801079 /nfs/dbraw/zinc/80/10/79/368801079.db2.gz RDTUNMNWOKMLKN-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020091966 368801085 /nfs/dbraw/zinc/80/10/85/368801085.db2.gz RDTUNMNWOKMLKN-GXTWGEPZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000019905948 368779243 /nfs/dbraw/zinc/77/92/43/368779243.db2.gz UUACXCLMGOBESE-CVEARBPZSA-N 2 2 278.465 3.165 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019959958 368790776 /nfs/dbraw/zinc/79/07/76/368790776.db2.gz UCZZQJWRPBYRJA-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000019959958 368790781 /nfs/dbraw/zinc/79/07/81/368790781.db2.gz UCZZQJWRPBYRJA-SWLSCSKDSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019960283 368791267 /nfs/dbraw/zinc/79/12/67/368791267.db2.gz FTUJFZDFQJRZQI-QWHCGFSZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019960283 368791268 /nfs/dbraw/zinc/79/12/68/368791268.db2.gz FTUJFZDFQJRZQI-QWHCGFSZSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000036996642 369048736 /nfs/dbraw/zinc/04/87/36/369048736.db2.gz CULWOIYAUWPDEH-OKZBNKHCSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC)cc1 ZINC000036996642 369048737 /nfs/dbraw/zinc/04/87/37/369048737.db2.gz CULWOIYAUWPDEH-OKZBNKHCSA-N 2 2 288.435 3.363 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000036932164 369039704 /nfs/dbraw/zinc/03/97/04/369039704.db2.gz XTKJCDGICKCPNZ-ZBFHGGJFSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000036932225 369040083 /nfs/dbraw/zinc/04/00/83/369040083.db2.gz ZSABAHROBUFXQH-OAHLLOKOSA-N 2 2 281.403 3.401 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000037156992 369072035 /nfs/dbraw/zinc/07/20/35/369072035.db2.gz LOPNANFDEAGOPS-NEPJUHHUSA-N 2 2 295.333 3.224 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157396 369072982 /nfs/dbraw/zinc/07/29/82/369072982.db2.gz YONOTPVYZIWPNP-CABCVRRESA-N 2 2 287.407 3.410 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119410 369173941 /nfs/dbraw/zinc/17/39/41/369173941.db2.gz VVUVZPKEOOWIGQ-OAHLLOKOSA-N 2 2 287.407 3.269 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000042254521 369209621 /nfs/dbraw/zinc/20/96/21/369209621.db2.gz KOWYYSFVKCOWJM-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000042858630 369235907 /nfs/dbraw/zinc/23/59/07/369235907.db2.gz UFYZIWAQULLRAN-HZPDHXFCSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494402656 244286621 /nfs/dbraw/zinc/28/66/21/244286621.db2.gz FSOUNXXSLCHNNV-NVXWUHKLSA-N 2 2 283.419 3.056 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+]CCCC[NH+](C)C)oc21 ZINC000045663827 369283892 /nfs/dbraw/zinc/28/38/92/369283892.db2.gz DKJHWZVVDHTLFQ-ZDUSSCGKSA-N 2 2 290.407 3.434 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000494880595 244326177 /nfs/dbraw/zinc/32/61/77/244326177.db2.gz STSWCAIVVNHANJ-CPUCHLNUSA-N 2 2 269.392 3.066 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1C ZINC000494921911 244332043 /nfs/dbraw/zinc/33/20/43/244332043.db2.gz JRMMJKYVIAMADC-HBUWYVDXSA-N 2 2 290.426 3.424 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000494928873 244333359 /nfs/dbraw/zinc/33/33/59/244333359.db2.gz GKDYEIOFELUBKH-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000494928873 244333363 /nfs/dbraw/zinc/33/33/63/244333363.db2.gz GKDYEIOFELUBKH-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)c1 ZINC000495091131 244354473 /nfs/dbraw/zinc/35/44/73/244354473.db2.gz RFJGCYUKNPKOMN-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)c1 ZINC000495091131 244354479 /nfs/dbraw/zinc/35/44/79/244354479.db2.gz RFJGCYUKNPKOMN-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000495091131 244354484 /nfs/dbraw/zinc/35/44/84/244354484.db2.gz RFJGCYUKNPKOMN-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(C)c1 ZINC000495091131 244354491 /nfs/dbraw/zinc/35/44/91/244354491.db2.gz RFJGCYUKNPKOMN-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP CCc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047972574 369333086 /nfs/dbraw/zinc/33/30/86/369333086.db2.gz PSNGKGJQWOFTLQ-UHFFFAOYSA-N 2 2 293.480 3.013 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@@H+](C)C(C)C)C2)cc1 ZINC000054111200 369496009 /nfs/dbraw/zinc/49/60/09/369496009.db2.gz HQRONZSXTCHLEU-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc(C2CC([NH2+]CC[N@H+](C)C(C)C)C2)cc1 ZINC000054111200 369496014 /nfs/dbraw/zinc/49/60/14/369496014.db2.gz HQRONZSXTCHLEU-UHFFFAOYSA-N 2 2 260.425 3.171 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423379971 296146315 /nfs/dbraw/zinc/14/63/15/296146315.db2.gz YHKSJRPJABRCNO-WDEREUQCSA-N 2 2 294.345 3.439 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068690461 369746574 /nfs/dbraw/zinc/74/65/74/369746574.db2.gz RHZCEVPYGKVNAK-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068690461 369746580 /nfs/dbraw/zinc/74/65/80/369746580.db2.gz RHZCEVPYGKVNAK-GXTWGEPZSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074670 369779234 /nfs/dbraw/zinc/77/92/34/369779234.db2.gz CEKZYZBAHYZQCY-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000070074670 369779240 /nfs/dbraw/zinc/77/92/40/369779240.db2.gz CEKZYZBAHYZQCY-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000070150052 369782391 /nfs/dbraw/zinc/78/23/91/369782391.db2.gz NKHQFKVYUIFDBK-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000070150052 369782401 /nfs/dbraw/zinc/78/24/01/369782401.db2.gz NKHQFKVYUIFDBK-ZDUSSCGKSA-N 2 2 270.779 3.182 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(C)C)C1 ZINC000072857997 369841760 /nfs/dbraw/zinc/84/17/60/369841760.db2.gz RWKDSRWTKPMERJ-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC(C)C)C1 ZINC000072857997 369841765 /nfs/dbraw/zinc/84/17/65/369841765.db2.gz RWKDSRWTKPMERJ-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000072857997 369841771 /nfs/dbraw/zinc/84/17/71/369841771.db2.gz RWKDSRWTKPMERJ-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000072857997 369841775 /nfs/dbraw/zinc/84/17/75/369841775.db2.gz RWKDSRWTKPMERJ-INIZCTEOSA-N 2 2 290.451 3.247 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000080428686 369988621 /nfs/dbraw/zinc/98/86/21/369988621.db2.gz DXCXEDGEIQKFFO-OCCSQVGLSA-N 2 2 257.381 3.123 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CCSCC2)n1-c1ccccc1 ZINC000080519738 369990521 /nfs/dbraw/zinc/99/05/21/369990521.db2.gz UBWPIUCVHUKJMR-UHFFFAOYSA-N 2 2 287.432 3.166 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000092588069 370097986 /nfs/dbraw/zinc/09/79/86/370097986.db2.gz ROZWEWBEKXEYIA-IAGOWNOFSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccn2C)C1 ZINC000092588069 370097991 /nfs/dbraw/zinc/09/79/91/370097991.db2.gz ROZWEWBEKXEYIA-IAGOWNOFSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000092588069 370097994 /nfs/dbraw/zinc/09/79/94/370097994.db2.gz ROZWEWBEKXEYIA-IAGOWNOFSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000092588069 370097995 /nfs/dbraw/zinc/09/79/95/370097995.db2.gz ROZWEWBEKXEYIA-IAGOWNOFSA-N 2 2 289.467 3.112 20 0 CGADLP C[C@H]1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092799912 370102264 /nfs/dbraw/zinc/10/22/64/370102264.db2.gz SNOIRJUNOMJWHT-GJZGRUSLSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1nccs1 ZINC000093400703 370123645 /nfs/dbraw/zinc/12/36/45/370123645.db2.gz UEHMQNKZLXCOGA-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794634 370366168 /nfs/dbraw/zinc/36/61/68/370366168.db2.gz HVCLISSCDBBIKH-RDJZCZTQSA-N 2 2 291.439 3.115 20 0 CGADLP Clc1ccc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000112338772 370420238 /nfs/dbraw/zinc/42/02/38/370420238.db2.gz JWPITMYNUPMKAG-CQSZACIVSA-N 2 2 261.756 3.304 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494809 245082283 /nfs/dbraw/zinc/08/22/83/245082283.db2.gz JWULHNZRFYVZPR-HIFRSBDPSA-N 2 2 252.446 3.133 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2CCCC2)C1 ZINC000513494809 245082286 /nfs/dbraw/zinc/08/22/86/245082286.db2.gz JWULHNZRFYVZPR-HIFRSBDPSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000116879297 370573223 /nfs/dbraw/zinc/57/32/23/370573223.db2.gz MIDLXPZOAIARDO-OAHLLOKOSA-N 2 2 269.392 3.324 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161198 371015663 /nfs/dbraw/zinc/01/56/63/371015663.db2.gz AFRSEUPLKNTLIB-IACUBPJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161198 371015665 /nfs/dbraw/zinc/01/56/65/371015665.db2.gz AFRSEUPLKNTLIB-IACUBPJLSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161394 371015804 /nfs/dbraw/zinc/01/58/04/371015804.db2.gz AFRSEUPLKNTLIB-MRVWCRGKSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000130161394 371015808 /nfs/dbraw/zinc/01/58/08/371015808.db2.gz AFRSEUPLKNTLIB-MRVWCRGKSA-N 2 2 280.362 3.242 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000130883794 371066449 /nfs/dbraw/zinc/06/64/49/371066449.db2.gz LPRYLMVNSTZRLM-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000130883794 371066454 /nfs/dbraw/zinc/06/64/54/371066454.db2.gz LPRYLMVNSTZRLM-GOSISDBHSA-N 2 2 266.388 3.147 20 0 CGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131673311 371122656 /nfs/dbraw/zinc/12/26/56/371122656.db2.gz RANPAYVXROPKEP-GOSISDBHSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131673311 371122660 /nfs/dbraw/zinc/12/26/60/371122660.db2.gz RANPAYVXROPKEP-GOSISDBHSA-N 2 2 298.386 3.134 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000151163390 371578794 /nfs/dbraw/zinc/57/87/94/371578794.db2.gz QGJKIXKAXLBTQF-GOSISDBHSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000151473428 371604457 /nfs/dbraw/zinc/60/44/57/371604457.db2.gz AHIYTENSVCRHJR-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000287263846 371630560 /nfs/dbraw/zinc/63/05/60/371630560.db2.gz KXCFNGAERUHBOY-LBPRGKRZSA-N 2 2 299.340 3.023 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccncc1Cl ZINC000421822631 371644956 /nfs/dbraw/zinc/64/49/56/371644956.db2.gz XMVITMCDICNIFK-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000421833260 371657797 /nfs/dbraw/zinc/65/77/97/371657797.db2.gz NMUVVVGZMLZYQA-AVGNSLFASA-N 2 2 281.831 3.258 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccncc1Cl ZINC000421836445 371660004 /nfs/dbraw/zinc/66/00/04/371660004.db2.gz QYEBIHJJJXWBCJ-GFCCVEGCSA-N 2 2 290.798 3.283 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421839652 371662181 /nfs/dbraw/zinc/66/21/81/371662181.db2.gz YDDBAHNRZIVWAU-LBPRGKRZSA-N 2 2 275.783 3.332 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000152568476 371706006 /nfs/dbraw/zinc/70/60/06/371706006.db2.gz DITXYYQEBCPGNN-JYJNAYRXSA-N 2 2 294.439 3.066 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000152568476 371706012 /nfs/dbraw/zinc/70/60/12/371706012.db2.gz DITXYYQEBCPGNN-JYJNAYRXSA-N 2 2 294.439 3.066 20 0 CGADLP CSC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000289040333 371750833 /nfs/dbraw/zinc/75/08/33/371750833.db2.gz APVIFJTVCLILKR-INIZCTEOSA-N 2 2 290.476 3.309 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000153212203 371756768 /nfs/dbraw/zinc/75/67/68/371756768.db2.gz WSPNXJGUGVTBRL-YCPHGPKFSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000153212203 371756775 /nfs/dbraw/zinc/75/67/75/371756775.db2.gz WSPNXJGUGVTBRL-YCPHGPKFSA-N 2 2 258.409 3.227 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000422698795 371757098 /nfs/dbraw/zinc/75/70/98/371757098.db2.gz BALJWSYWENWWFX-SUMWQHHRSA-N 2 2 254.377 3.070 20 0 CGADLP FC(F)(F)C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000422706774 371762325 /nfs/dbraw/zinc/76/23/25/371762325.db2.gz FWLLLZONJKZZIH-ZDUSSCGKSA-N 2 2 272.314 3.022 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000289576046 371763261 /nfs/dbraw/zinc/76/32/61/371763261.db2.gz HOTRVXMFLBLOHQ-ZDUSSCGKSA-N 2 2 268.351 3.348 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422729434 371771127 /nfs/dbraw/zinc/77/11/27/371771127.db2.gz IASKTIORMKAEPZ-SJORKVTESA-N 2 2 276.424 3.124 20 0 CGADLP CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422729852 371771149 /nfs/dbraw/zinc/77/11/49/371771149.db2.gz CTBZFVDYUQIBSD-IAGOWNOFSA-N 2 2 282.387 3.320 20 0 CGADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000422754203 371785291 /nfs/dbraw/zinc/78/52/91/371785291.db2.gz GRUUHVRIVBGYFG-GJZGRUSLSA-N 3 2 286.423 3.040 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353339548 220035616 /nfs/dbraw/zinc/03/56/16/220035616.db2.gz TYMVQMRRLLOZLA-STQMWFEESA-N 2 2 288.391 3.014 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353339548 220035619 /nfs/dbraw/zinc/03/56/19/220035619.db2.gz TYMVQMRRLLOZLA-STQMWFEESA-N 2 2 288.391 3.014 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422799678 371817754 /nfs/dbraw/zinc/81/77/54/371817754.db2.gz XZPOLIRUUZUAPA-IFXJQAMLSA-N 2 2 298.430 3.469 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(C(C)(C)C)cs1 ZINC000422864186 371844634 /nfs/dbraw/zinc/84/46/34/371844634.db2.gz ULQFJCNJLNGQMK-FKJOKYEKSA-N 2 2 293.480 3.374 20 0 CGADLP CSc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422871582 371846276 /nfs/dbraw/zinc/84/62/76/371846276.db2.gz DDUPUIMBDZVDBB-GFCCVEGCSA-N 2 2 287.432 3.375 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)cc1 ZINC000422876696 371850392 /nfs/dbraw/zinc/85/03/92/371850392.db2.gz GHQDGUYPDZISDQ-ZBFHGGJFSA-N 2 2 282.387 3.491 20 0 CGADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422881243 371851690 /nfs/dbraw/zinc/85/16/90/371851690.db2.gz YKLUKXAZUBVQIA-JSGCOSHPSA-N 2 2 298.377 3.217 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000422884378 371852955 /nfs/dbraw/zinc/85/29/55/371852955.db2.gz SBOGKZSNSDAWGF-SUNKGSAMSA-N 2 2 284.350 3.079 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000154546262 371856108 /nfs/dbraw/zinc/85/61/08/371856108.db2.gz SRFZRBFJVXNOFX-WFASDCNBSA-N 2 2 268.351 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000154546262 371856116 /nfs/dbraw/zinc/85/61/16/371856116.db2.gz SRFZRBFJVXNOFX-WFASDCNBSA-N 2 2 268.351 3.100 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCC2 ZINC000289967973 371865563 /nfs/dbraw/zinc/86/55/63/371865563.db2.gz BPMBKEVFZGSSTH-IAGOWNOFSA-N 2 2 288.435 3.260 20 0 CGADLP CCC(CC)(CCO)C[NH2+]CCCc1c[nH+]ccc1C ZINC000289975870 371866187 /nfs/dbraw/zinc/86/61/87/371866187.db2.gz BXZGKJOHQPLKDA-UHFFFAOYSA-N 2 2 278.440 3.101 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000422916659 371868127 /nfs/dbraw/zinc/86/81/27/371868127.db2.gz BHGPMRMCPQCSAA-WQVCFCJDSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000422935203 371879539 /nfs/dbraw/zinc/87/95/39/371879539.db2.gz DJBPTRSQZQFFHA-KFWWJZLASA-N 2 2 296.480 3.192 20 0 CGADLP CCCOc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422854116 371840419 /nfs/dbraw/zinc/84/04/19/371840419.db2.gz AEBWVRAMLGZFNK-ZBFHGGJFSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)[C@H]1CCCC[NH2+]1 ZINC000423052555 371936383 /nfs/dbraw/zinc/93/63/83/371936383.db2.gz QRWMDKFGNPSDMN-HNAYVOBHSA-N 2 2 295.430 3.369 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc(CSC)c1)[C@@H]1CCC[NH2+]1 ZINC000423053264 371937475 /nfs/dbraw/zinc/93/74/75/371937475.db2.gz AFSHLPKYZRGBSM-CVEARBPZSA-N 2 2 278.465 3.170 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000423061767 371940924 /nfs/dbraw/zinc/94/09/24/371940924.db2.gz LMICKUOCDUWKND-UONOGXRCSA-N 2 2 270.779 3.229 20 0 CGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423066983 371943994 /nfs/dbraw/zinc/94/39/94/371943994.db2.gz YKSXHFLNRWNOGW-CVEARBPZSA-N 2 2 286.350 3.069 20 0 CGADLP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290251675 371945308 /nfs/dbraw/zinc/94/53/08/371945308.db2.gz UHXVGFUVDPJRJQ-KDOFPFPSSA-N 2 2 299.418 3.074 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000290346382 371968358 /nfs/dbraw/zinc/96/83/58/371968358.db2.gz LPHWDHIPRCPJLD-DLBZAZTESA-N 2 2 276.424 3.116 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156439322 371978943 /nfs/dbraw/zinc/97/89/43/371978943.db2.gz FXNNNROJDZMXNN-SJLPKXTDSA-N 2 2 283.419 3.317 20 0 CGADLP Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156439322 371978952 /nfs/dbraw/zinc/97/89/52/371978952.db2.gz FXNNNROJDZMXNN-SJLPKXTDSA-N 2 2 283.419 3.317 20 0 CGADLP CCSc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423128541 371981147 /nfs/dbraw/zinc/98/11/47/371981147.db2.gz KWBOSCUUIKACLB-IUODEOHRSA-N 2 2 264.438 3.029 20 0 CGADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000423130591 371982803 /nfs/dbraw/zinc/98/28/03/371982803.db2.gz GVFZSQPRVXBQIC-KNXALSJPSA-N 2 2 298.352 3.114 20 0 CGADLP CC[C@H]([NH2+]Cc1oc2ccccc2c1OC)[C@@H]1CCC[NH2+]1 ZINC000423068291 371945512 /nfs/dbraw/zinc/94/55/12/371945512.db2.gz JLMDNTXEOSIMFD-KBPBESRZSA-N 2 2 288.391 3.062 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344147410 217072333 /nfs/dbraw/zinc/07/23/33/217072333.db2.gz WXSXFFGCCGVQMK-MLGOLLRUSA-N 2 2 273.355 3.078 20 0 CGADLP CCCNc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423077468 371949882 /nfs/dbraw/zinc/94/98/82/371949882.db2.gz TXYVYNBINYETOL-WMLDXEAASA-N 2 2 275.440 3.129 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423196704 372021824 /nfs/dbraw/zinc/02/18/24/372021824.db2.gz VYNMROQMHREMKK-ZIAGYGMSSA-N 2 2 284.403 3.251 20 0 CGADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C3)cs2)cs1 ZINC000423199485 372023720 /nfs/dbraw/zinc/02/37/20/372023720.db2.gz BQNFEIHOLCHLHS-CABZTGNLSA-N 2 2 293.461 3.193 20 0 CGADLP COc1ccc([C@H](CCC(C)C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423203167 372027264 /nfs/dbraw/zinc/02/72/64/372027264.db2.gz MHTYDBPCVGSVGY-RDJZCZTQSA-N 2 2 276.424 3.124 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423204079 372028085 /nfs/dbraw/zinc/02/80/85/372028085.db2.gz UHNUKOGGIZQLOA-GOSISDBHSA-N 2 2 295.386 3.116 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423205914 372029100 /nfs/dbraw/zinc/02/91/00/372029100.db2.gz WCYTZMOWUQBROV-LBPRGKRZSA-N 2 2 275.421 3.070 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423284979 372048269 /nfs/dbraw/zinc/04/82/69/372048269.db2.gz ZCKKHPWTIRQCEB-STQMWFEESA-N 2 2 289.448 3.316 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCC1 ZINC000423342599 372053655 /nfs/dbraw/zinc/05/36/55/372053655.db2.gz YZHZSANWXOGZPD-CYBMUJFWSA-N 2 2 280.799 3.025 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423366252 372056871 /nfs/dbraw/zinc/05/68/71/372056871.db2.gz QBUQJUYCFZAXAE-DYEKYZERSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423378734 372057673 /nfs/dbraw/zinc/05/76/73/372057673.db2.gz ZRBMTXZFRXTUGM-URBCHYCLSA-N 2 2 282.478 3.261 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538001 372012301 /nfs/dbraw/zinc/01/23/01/372012301.db2.gz RBVUWNCVKJZIDS-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)cs1 ZINC000290538001 372012306 /nfs/dbraw/zinc/01/23/06/372012306.db2.gz RBVUWNCVKJZIDS-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)cs1 ZINC000290538001 372012312 /nfs/dbraw/zinc/01/23/12/372012312.db2.gz RBVUWNCVKJZIDS-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)cs1 ZINC000290538001 372012316 /nfs/dbraw/zinc/01/23/16/372012316.db2.gz RBVUWNCVKJZIDS-GWCFXTLKSA-N 2 2 272.845 3.174 20 0 CGADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184370 372012899 /nfs/dbraw/zinc/01/28/99/372012899.db2.gz IMMWFRNZJRYDFY-ZANVPECISA-N 2 2 285.218 3.322 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCCc4occc4C3)cc2)c[nH+]1 ZINC000344248268 217117459 /nfs/dbraw/zinc/11/74/59/217117459.db2.gz GPGPOESJCVHJLK-UHFFFAOYSA-N 2 2 293.370 3.414 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCCc4occc4C3)cc2)c[nH+]1 ZINC000344248268 217117462 /nfs/dbraw/zinc/11/74/62/217117462.db2.gz GPGPOESJCVHJLK-UHFFFAOYSA-N 2 2 293.370 3.414 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551195 372230242 /nfs/dbraw/zinc/23/02/42/372230242.db2.gz JZRQOWBVUSSPFL-HEHGZKQESA-N 2 2 296.842 3.037 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)Oc2ccc(Cl)cc2)C1 ZINC000428551195 372230246 /nfs/dbraw/zinc/23/02/46/372230246.db2.gz JZRQOWBVUSSPFL-HEHGZKQESA-N 2 2 296.842 3.037 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1OC(F)F ZINC000040672071 541868904 /nfs/dbraw/zinc/86/89/04/541868904.db2.gz BTFIOSXCAQHQOJ-RYUDHWBXSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1OC(F)F ZINC000040672071 541868907 /nfs/dbraw/zinc/86/89/07/541868907.db2.gz BTFIOSXCAQHQOJ-RYUDHWBXSA-N 2 2 284.350 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344290687 217135188 /nfs/dbraw/zinc/13/51/88/217135188.db2.gz MIIQVDUCGUWPDE-OLMNPRSZSA-N 2 2 272.436 3.458 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344290687 217135192 /nfs/dbraw/zinc/13/51/92/217135192.db2.gz MIIQVDUCGUWPDE-OLMNPRSZSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344298445 217140148 /nfs/dbraw/zinc/14/01/48/217140148.db2.gz DPONXIKVFZZQTF-CRAIPNDOSA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344298445 217140149 /nfs/dbraw/zinc/14/01/49/217140149.db2.gz DPONXIKVFZZQTF-CRAIPNDOSA-N 2 2 290.451 3.294 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000428848823 372269805 /nfs/dbraw/zinc/26/98/05/372269805.db2.gz KAPHNCAQSBMNIU-NXEZZACHSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000428848823 372269809 /nfs/dbraw/zinc/26/98/09/372269809.db2.gz KAPHNCAQSBMNIU-NXEZZACHSA-N 2 2 292.370 3.339 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429005782 372304056 /nfs/dbraw/zinc/30/40/56/372304056.db2.gz ZDOZVQLIFDYKMX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429005782 372304059 /nfs/dbraw/zinc/30/40/59/372304059.db2.gz ZDOZVQLIFDYKMX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429005782 372304063 /nfs/dbraw/zinc/30/40/63/372304063.db2.gz ZDOZVQLIFDYKMX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429005782 372304066 /nfs/dbraw/zinc/30/40/66/372304066.db2.gz ZDOZVQLIFDYKMX-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344331944 217155910 /nfs/dbraw/zinc/15/59/10/217155910.db2.gz YFBHKIRWXSRIJO-RHSMWYFYSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344331944 217155911 /nfs/dbraw/zinc/15/59/11/217155911.db2.gz YFBHKIRWXSRIJO-RHSMWYFYSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429005552 372303588 /nfs/dbraw/zinc/30/35/88/372303588.db2.gz MJCQOXBULJYWPX-SFHVURJKSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429005552 372303593 /nfs/dbraw/zinc/30/35/93/372303593.db2.gz MJCQOXBULJYWPX-SFHVURJKSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429005552 372303598 /nfs/dbraw/zinc/30/35/98/372303598.db2.gz MJCQOXBULJYWPX-SFHVURJKSA-N 2 2 288.435 3.001 20 0 CGADLP CC(C)Oc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429005552 372303603 /nfs/dbraw/zinc/30/36/03/372303603.db2.gz MJCQOXBULJYWPX-SFHVURJKSA-N 2 2 288.435 3.001 20 0 CGADLP CCc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)o1 ZINC000344351473 217165217 /nfs/dbraw/zinc/16/52/17/217165217.db2.gz NPYJTCMYQNRHAG-AWEZNQCLSA-N 2 2 264.413 3.196 20 0 CGADLP C[NH2+]C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000430939156 372407812 /nfs/dbraw/zinc/40/78/12/372407812.db2.gz FMDGOAHYCSVHQX-UHFFFAOYSA-N 2 2 284.856 3.116 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430953346 372410117 /nfs/dbraw/zinc/41/01/17/372410117.db2.gz GUWFYJCEXYTZLA-COLVAYQJSA-N 2 2 268.351 3.085 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430953346 372410121 /nfs/dbraw/zinc/41/01/21/372410121.db2.gz GUWFYJCEXYTZLA-COLVAYQJSA-N 2 2 268.351 3.085 20 0 CGADLP c1cn(CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000165950467 372559940 /nfs/dbraw/zinc/55/99/40/372559940.db2.gz IWTIHHRLOMZRAF-FUHWJXTLSA-N 2 2 299.418 3.031 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000166509999 372575619 /nfs/dbraw/zinc/57/56/19/372575619.db2.gz RQOJTUQWXKIJNP-IUODEOHRSA-N 2 2 261.344 3.152 20 0 CGADLP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344527100 217220816 /nfs/dbraw/zinc/22/08/16/217220816.db2.gz PIBYDIFJXDMPMP-JKSUJKDBSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435053994 372732051 /nfs/dbraw/zinc/73/20/51/372732051.db2.gz ZDCJNXCQGIKGCW-YQQAZPJKSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435053994 372732058 /nfs/dbraw/zinc/73/20/58/372732058.db2.gz ZDCJNXCQGIKGCW-YQQAZPJKSA-N 2 2 274.408 3.361 20 0 CGADLP CC[NH+](CC)CCSCc1c(C)[nH+]c2ccccn21 ZINC000434809406 372714086 /nfs/dbraw/zinc/71/40/86/372714086.db2.gz OICOGQORYJUROL-UHFFFAOYSA-N 2 2 277.437 3.218 20 0 CGADLP CC(C)Cc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000353434606 220080983 /nfs/dbraw/zinc/08/09/83/220080983.db2.gz KAMZKCHGKITMQJ-HNNXBMFYSA-N 2 2 271.408 3.432 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438082116 372871870 /nfs/dbraw/zinc/87/18/70/372871870.db2.gz AUBYENNPWUHYOC-SJLPKXTDSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000438184207 372905560 /nfs/dbraw/zinc/90/55/60/372905560.db2.gz ARZQXXKPCHHBEJ-CVEARBPZSA-N 2 2 290.451 3.132 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000344688642 217276113 /nfs/dbraw/zinc/27/61/13/217276113.db2.gz VEVSKBIHJYHYHA-OCCSQVGLSA-N 2 2 293.480 3.373 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000344688642 217276115 /nfs/dbraw/zinc/27/61/15/217276115.db2.gz VEVSKBIHJYHYHA-OCCSQVGLSA-N 2 2 293.480 3.373 20 0 CGADLP CC[C@@H](C)[N@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500171 220120656 /nfs/dbraw/zinc/12/06/56/220120656.db2.gz WSYJUNYBNCPIQH-ZBFHGGJFSA-N 2 2 292.471 3.351 20 0 CGADLP CC[C@@H](C)[N@@H+](C)CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1 ZINC000353500171 220120659 /nfs/dbraw/zinc/12/06/59/220120659.db2.gz WSYJUNYBNCPIQH-ZBFHGGJFSA-N 2 2 292.471 3.351 20 0 CGADLP Cc1[nH+]cn(CCCCCn2c[nH+]c(C)c2C)c1C ZINC000172655430 373006192 /nfs/dbraw/zinc/00/61/92/373006192.db2.gz CLKDITFTLAASLW-UHFFFAOYSA-N 2 2 260.385 3.184 20 0 CGADLP Cc1cnccc1C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000295978440 372981947 /nfs/dbraw/zinc/98/19/47/372981947.db2.gz JFDJKFIKIRONBG-UHFFFAOYSA-N 2 2 299.418 3.079 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708910 373066878 /nfs/dbraw/zinc/06/68/78/373066878.db2.gz MFYYOVCRKDEOGU-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708910 373066885 /nfs/dbraw/zinc/06/68/85/373066885.db2.gz MFYYOVCRKDEOGU-CABCVRRESA-N 2 2 297.446 3.099 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779447 373077901 /nfs/dbraw/zinc/07/79/01/373077901.db2.gz IPNCAMICWQXGBX-CHWSQXEVSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000442779447 373077910 /nfs/dbraw/zinc/07/79/10/373077910.db2.gz IPNCAMICWQXGBX-CHWSQXEVSA-N 2 2 293.480 3.360 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000173908304 373213649 /nfs/dbraw/zinc/21/36/49/373213649.db2.gz PJVWHHITONRMPE-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000173908304 373213657 /nfs/dbraw/zinc/21/36/57/373213657.db2.gz PJVWHHITONRMPE-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000173908304 373213668 /nfs/dbraw/zinc/21/36/68/373213668.db2.gz PJVWHHITONRMPE-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000173908304 373213673 /nfs/dbraw/zinc/21/36/73/373213673.db2.gz PJVWHHITONRMPE-CYBMUJFWSA-N 2 2 298.833 3.295 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)[C@H](C)C2 ZINC000353621015 220197144 /nfs/dbraw/zinc/19/71/44/220197144.db2.gz KJVKOTUBGUHWDX-UVBSCNOISA-N 2 2 281.403 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)[C@H](C)C2 ZINC000353621015 220197146 /nfs/dbraw/zinc/19/71/46/220197146.db2.gz KJVKOTUBGUHWDX-UVBSCNOISA-N 2 2 281.403 3.099 20 0 CGADLP CSCC[C@@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353627020 220203589 /nfs/dbraw/zinc/20/35/89/220203589.db2.gz RPOIBYSDKYUTJA-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP CSCC[C@@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353627020 220203591 /nfs/dbraw/zinc/20/35/91/220203591.db2.gz RPOIBYSDKYUTJA-CQSZACIVSA-N 2 2 266.454 3.396 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448066420 373545582 /nfs/dbraw/zinc/54/55/82/373545582.db2.gz LFPUTQBEDMJPEG-MRXNPFEDSA-N 2 2 270.420 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448066420 373545595 /nfs/dbraw/zinc/54/55/95/373545595.db2.gz LFPUTQBEDMJPEG-MRXNPFEDSA-N 2 2 270.420 3.183 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)c[nH+]1 ZINC000448078639 373547951 /nfs/dbraw/zinc/54/79/51/373547951.db2.gz VDSAJVPVNJXGRG-UHFFFAOYSA-N 2 2 281.403 3.354 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCS[C@@H](C)[C@@H]2C)c[nH+]1 ZINC000353659301 220231947 /nfs/dbraw/zinc/23/19/47/220231947.db2.gz RDDOSFMCXGNNFV-KBPBESRZSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c[nH+]1 ZINC000353659301 220231950 /nfs/dbraw/zinc/23/19/50/220231950.db2.gz RDDOSFMCXGNNFV-KBPBESRZSA-N 2 2 264.438 3.148 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000449514286 373813777 /nfs/dbraw/zinc/81/37/77/373813777.db2.gz VQESUVITXCHQAB-ZWKOTPCHSA-N 2 2 292.467 3.201 20 0 CGADLP Cc1cccc(NC[C@H]2CCCC[N@H+]2CC(C)C)[nH+]1 ZINC000302235226 373839522 /nfs/dbraw/zinc/83/95/22/373839522.db2.gz HXJYRAIRGZJZIA-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP Cc1cccc(NC[C@H]2CCCC[N@@H+]2CC(C)C)[nH+]1 ZINC000302235226 373839525 /nfs/dbraw/zinc/83/95/25/373839525.db2.gz HXJYRAIRGZJZIA-OAHLLOKOSA-N 2 2 261.413 3.312 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449526723 373826002 /nfs/dbraw/zinc/82/60/02/373826002.db2.gz FHJVWTJDGLXSGO-QGZVFWFLSA-N 2 2 299.443 3.200 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@@H]3C3CC3)cc2)c[nH+]1 ZINC000449526723 373826010 /nfs/dbraw/zinc/82/60/10/373826010.db2.gz FHJVWTJDGLXSGO-QGZVFWFLSA-N 2 2 299.443 3.200 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301603957 373788868 /nfs/dbraw/zinc/78/88/68/373788868.db2.gz LKSZFYVCKILSLN-OAHLLOKOSA-N 2 2 290.455 3.298 20 0 CGADLP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301603957 373788873 /nfs/dbraw/zinc/78/88/73/373788873.db2.gz LKSZFYVCKILSLN-OAHLLOKOSA-N 2 2 290.455 3.298 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301603956 373789288 /nfs/dbraw/zinc/78/92/88/373789288.db2.gz LKSZFYVCKILSLN-HNNXBMFYSA-N 2 2 290.455 3.298 20 0 CGADLP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(C(C)C)[nH+]1 ZINC000301603956 373789293 /nfs/dbraw/zinc/78/92/93/373789293.db2.gz LKSZFYVCKILSLN-HNNXBMFYSA-N 2 2 290.455 3.298 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742609 373873225 /nfs/dbraw/zinc/87/32/25/373873225.db2.gz PPCSTAUTWPHSDX-QZHFEQFPSA-N 2 2 284.447 3.458 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000449742609 373873234 /nfs/dbraw/zinc/87/32/34/373873234.db2.gz PPCSTAUTWPHSDX-QZHFEQFPSA-N 2 2 284.447 3.458 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)C2 ZINC000179963967 373948339 /nfs/dbraw/zinc/94/83/39/373948339.db2.gz OKBZECMPONGNTO-PBHICJAKSA-N 2 2 269.392 3.105 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681541 373905794 /nfs/dbraw/zinc/90/57/94/373905794.db2.gz IIHJJOVDLSHYOK-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000179681541 373905798 /nfs/dbraw/zinc/90/57/98/373905798.db2.gz IIHJJOVDLSHYOK-UONOGXRCSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180261472 373985109 /nfs/dbraw/zinc/98/51/09/373985109.db2.gz RXTDWXSWKOEHIQ-CRAIPNDOSA-N 2 2 299.418 3.482 20 0 CGADLP CC(C)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180276674 373987310 /nfs/dbraw/zinc/98/73/10/373987310.db2.gz ICHOSYAQAVJSHP-OAHLLOKOSA-N 2 2 257.381 3.345 20 0 CGADLP CC(C)[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180276674 373987317 /nfs/dbraw/zinc/98/73/17/373987317.db2.gz ICHOSYAQAVJSHP-OAHLLOKOSA-N 2 2 257.381 3.345 20 0 CGADLP c1cn(CCC[NH2+]Cc2ccc(Oc3ccccc3)o2)c[nH+]1 ZINC000180756300 374042699 /nfs/dbraw/zinc/04/26/99/374042699.db2.gz PXOXFMAUCWQHRO-UHFFFAOYSA-N 2 2 297.358 3.448 20 0 CGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000450471168 374152857 /nfs/dbraw/zinc/15/28/57/374152857.db2.gz VTFRRHFZMIEAHP-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1Cl ZINC000450471168 374152859 /nfs/dbraw/zinc/15/28/59/374152859.db2.gz VTFRRHFZMIEAHP-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000450471168 374152864 /nfs/dbraw/zinc/15/28/64/374152864.db2.gz VTFRRHFZMIEAHP-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1Cl ZINC000450471168 374152869 /nfs/dbraw/zinc/15/28/69/374152869.db2.gz VTFRRHFZMIEAHP-GXTWGEPZSA-N 2 2 296.842 3.263 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984144 374188578 /nfs/dbraw/zinc/18/85/78/374188578.db2.gz UKYIWVJGSNIIOV-OKZBNKHCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984144 374188589 /nfs/dbraw/zinc/18/85/89/374188589.db2.gz UKYIWVJGSNIIOV-OKZBNKHCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984144 374188594 /nfs/dbraw/zinc/18/85/94/374188594.db2.gz UKYIWVJGSNIIOV-OKZBNKHCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000450984144 374188601 /nfs/dbraw/zinc/18/86/01/374188601.db2.gz UKYIWVJGSNIIOV-OKZBNKHCSA-N 2 2 296.499 3.265 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000311332810 374239500 /nfs/dbraw/zinc/23/95/00/374239500.db2.gz HDERVXQESFRBBA-FHERZECASA-N 2 2 263.429 3.324 20 0 CGADLP CC(C)C1CCC(C[NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000311332811 374239654 /nfs/dbraw/zinc/23/96/54/374239654.db2.gz HDERVXQESFRBBA-QQFBHYJXSA-N 2 2 263.429 3.324 20 0 CGADLP Clc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)s1 ZINC000312751284 374290770 /nfs/dbraw/zinc/29/07/70/374290770.db2.gz WYJAAGGDEOODHJ-SECBINFHSA-N 2 2 279.236 3.287 20 0 CGADLP Clc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)s1 ZINC000312751287 374291073 /nfs/dbraw/zinc/29/10/73/374291073.db2.gz WYJAAGGDEOODHJ-VIFPVBQESA-N 2 2 279.236 3.287 20 0 CGADLP C[C@H]([NH2+]CCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320324587 374351601 /nfs/dbraw/zinc/35/16/01/374351601.db2.gz LKFJLMPFTOFOGT-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146772 206080006 /nfs/dbraw/zinc/08/00/06/206080006.db2.gz REHRQBYPPLMGKL-GJZGRUSLSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146772 206080010 /nfs/dbraw/zinc/08/00/10/206080010.db2.gz REHRQBYPPLMGKL-GJZGRUSLSA-N 2 2 289.423 3.081 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453380434 374465769 /nfs/dbraw/zinc/46/57/69/374465769.db2.gz AUHJTZDUFKYMHB-LSDHHAIUSA-N 2 2 270.436 3.369 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453380434 374465778 /nfs/dbraw/zinc/46/57/78/374465778.db2.gz AUHJTZDUFKYMHB-LSDHHAIUSA-N 2 2 270.436 3.369 20 0 CGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(C(C)(C)C)cs1 ZINC000184478827 374529156 /nfs/dbraw/zinc/52/91/56/374529156.db2.gz NPUPBQSUBLAHCU-GFCCVEGCSA-N 2 2 292.452 3.378 20 0 CGADLP CC(C)O[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1(C)C ZINC000185235671 374616163 /nfs/dbraw/zinc/61/61/63/374616163.db2.gz YEOJKKGDQKPOJV-CABCVRRESA-N 2 2 291.439 3.065 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000334559177 374858107 /nfs/dbraw/zinc/85/81/07/374858107.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000334559177 374858117 /nfs/dbraw/zinc/85/81/17/374858117.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000334559177 374858126 /nfs/dbraw/zinc/85/81/26/374858126.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 2 297.446 3.458 20 0 CGADLP Cc1ccc2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000334559177 374858133 /nfs/dbraw/zinc/85/81/33/374858133.db2.gz ADYWGGMRGPCGQK-QAPCUYQASA-N 2 2 297.446 3.458 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248122559 296224563 /nfs/dbraw/zinc/22/45/63/296224563.db2.gz UPCIYFKHZVWPNJ-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248122559 296224564 /nfs/dbraw/zinc/22/45/64/296224564.db2.gz UPCIYFKHZVWPNJ-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248122559 296224566 /nfs/dbraw/zinc/22/45/66/296224566.db2.gz UPCIYFKHZVWPNJ-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248122559 296224568 /nfs/dbraw/zinc/22/45/68/296224568.db2.gz UPCIYFKHZVWPNJ-GXTWGEPZSA-N 2 2 282.378 3.442 20 0 CGADLP CCc1cccc(F)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000474286644 375095499 /nfs/dbraw/zinc/09/54/99/375095499.db2.gz YRUHGPCNBRDWPD-UHFFFAOYSA-N 2 2 278.415 3.351 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000188043768 375147758 /nfs/dbraw/zinc/14/77/58/375147758.db2.gz MHGZXWVGUVSJHE-INIZCTEOSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)c1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188134988 375164334 /nfs/dbraw/zinc/16/43/34/375164334.db2.gz KZLSXBMWXASLOX-UHFFFAOYSA-N 2 2 266.348 3.241 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000487274632 375216732 /nfs/dbraw/zinc/21/67/32/375216732.db2.gz GKLOWPZVOKWSRT-XJKSGUPXSA-N 2 2 269.392 3.397 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)[nH+]c1 ZINC000189066004 375317235 /nfs/dbraw/zinc/31/72/35/375317235.db2.gz SHUQFKQJQHGPQB-INIZCTEOSA-N 2 2 285.435 3.363 20 0 CGADLP COCCC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000189093629 375323866 /nfs/dbraw/zinc/32/38/66/375323866.db2.gz NIFZAJKRXDAUGW-INIZCTEOSA-N 2 2 293.455 3.096 20 0 CGADLP Cc1nc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000189243441 375347038 /nfs/dbraw/zinc/34/70/38/375347038.db2.gz HZXVWTGFTFFZJV-MRXNPFEDSA-N 2 2 293.480 3.464 20 0 CGADLP Cc1nc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000189243441 375347044 /nfs/dbraw/zinc/34/70/44/375347044.db2.gz HZXVWTGFTFFZJV-MRXNPFEDSA-N 2 2 293.480 3.464 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349373 375625323 /nfs/dbraw/zinc/62/53/23/375625323.db2.gz ATGWRNLPIJCEEZ-DZGCQCFKSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349373 375625327 /nfs/dbraw/zinc/62/53/27/375625327.db2.gz ATGWRNLPIJCEEZ-DZGCQCFKSA-N 2 2 252.446 3.133 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000500397286 375636160 /nfs/dbraw/zinc/63/61/60/375636160.db2.gz QCBIIIUVAWQLOB-KTWGLELUSA-N 2 2 258.409 3.162 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000500397286 375636165 /nfs/dbraw/zinc/63/61/65/375636165.db2.gz QCBIIIUVAWQLOB-KTWGLELUSA-N 2 2 258.409 3.162 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[NH+]1CCC(C)CC1 ZINC000502248847 375642574 /nfs/dbraw/zinc/64/25/74/375642574.db2.gz AZTORMDPSIEVGP-YYIAUSFCSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1Cl ZINC000336100929 375687142 /nfs/dbraw/zinc/68/71/42/375687142.db2.gz NAGIADOLQRDUPP-VXGBXAGGSA-N 2 2 275.783 3.202 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000129049914 542054317 /nfs/dbraw/zinc/05/43/17/542054317.db2.gz YKAANNSHCITTGS-CQSZACIVSA-N 2 2 273.424 3.219 20 0 CGADLP c1cn2c(cccc2C[NH2+]Cc2ccc3ncccc3c2)[nH+]1 ZINC000192978432 375810537 /nfs/dbraw/zinc/81/05/37/375810537.db2.gz ZDLKCWISLCDTBQ-UHFFFAOYSA-N 2 2 288.354 3.172 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC000336541478 375817905 /nfs/dbraw/zinc/81/79/05/375817905.db2.gz ODZBEWAZNGMZJQ-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC000336541478 375817912 /nfs/dbraw/zinc/81/79/12/375817912.db2.gz ODZBEWAZNGMZJQ-LLVKDONJSA-N 2 2 272.845 3.318 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336558993 375830598 /nfs/dbraw/zinc/83/05/98/375830598.db2.gz YVYHISFDUKBEIN-AWEZNQCLSA-N 2 2 299.418 3.449 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336558993 375830602 /nfs/dbraw/zinc/83/06/02/375830602.db2.gz YVYHISFDUKBEIN-AWEZNQCLSA-N 2 2 299.418 3.449 20 0 CGADLP c1cn(C2CC[NH+]([C@H]3/C=C/CCCCC3)CC2)c[nH+]1 ZINC000336575750 375844829 /nfs/dbraw/zinc/84/48/29/375844829.db2.gz OQSWZCQXOLTJQF-DRDHIDPGSA-N 2 2 259.397 3.409 20 0 CGADLP CCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000534348645 375980382 /nfs/dbraw/zinc/98/03/82/375980382.db2.gz NXOOERIYDMHOTH-UHFFFAOYSA-N 2 2 275.421 3.344 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580030 375992817 /nfs/dbraw/zinc/99/28/17/375992817.db2.gz MWUGQBYRVAZZIB-HZPDHXFCSA-N 2 2 269.392 3.361 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580030 375992822 /nfs/dbraw/zinc/99/28/22/375992822.db2.gz MWUGQBYRVAZZIB-HZPDHXFCSA-N 2 2 269.392 3.361 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996979 376010062 /nfs/dbraw/zinc/01/00/62/376010062.db2.gz YVUYDPIYKKXRAD-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534996979 376010067 /nfs/dbraw/zinc/01/00/67/376010067.db2.gz YVUYDPIYKKXRAD-LRDDRELGSA-N 2 2 278.827 3.259 20 0 CGADLP CCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000336865009 376017186 /nfs/dbraw/zinc/01/71/86/376017186.db2.gz HXRZVMUHVYHVLZ-UHFFFAOYSA-N 2 2 299.418 3.169 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000336890548 376021725 /nfs/dbraw/zinc/02/17/25/376021725.db2.gz HKWXITFHMNZGON-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000336890548 376021727 /nfs/dbraw/zinc/02/17/27/376021727.db2.gz HKWXITFHMNZGON-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042325 296238655 /nfs/dbraw/zinc/23/86/55/296238655.db2.gz APFGGPGXYZHEQF-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292042325 296238656 /nfs/dbraw/zinc/23/86/56/296238656.db2.gz APFGGPGXYZHEQF-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042325 296238657 /nfs/dbraw/zinc/23/86/57/296238657.db2.gz APFGGPGXYZHEQF-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292042325 296238658 /nfs/dbraw/zinc/23/86/58/296238658.db2.gz APFGGPGXYZHEQF-XJKSGUPXSA-N 2 2 278.827 3.429 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000194830997 376046346 /nfs/dbraw/zinc/04/63/46/376046346.db2.gz DCHMZCBIRJBWRO-CYBMUJFWSA-N 2 2 275.421 3.346 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cscn1 ZINC000536625756 376102988 /nfs/dbraw/zinc/10/29/88/376102988.db2.gz OXXGOJIHYQTNET-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337162776 376107673 /nfs/dbraw/zinc/10/76/73/376107673.db2.gz WAJCLYOSSLFZAE-ZBFHGGJFSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337162776 376107683 /nfs/dbraw/zinc/10/76/83/376107683.db2.gz WAJCLYOSSLFZAE-ZBFHGGJFSA-N 2 2 262.397 3.217 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337167738 376109936 /nfs/dbraw/zinc/10/99/36/376109936.db2.gz AZARBTDGGMNGEN-ARFHVFGLSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337167738 376109941 /nfs/dbraw/zinc/10/99/41/376109941.db2.gz AZARBTDGGMNGEN-ARFHVFGLSA-N 2 2 263.429 3.448 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042314 296239150 /nfs/dbraw/zinc/23/91/50/296239150.db2.gz APFGGPGXYZHEQF-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292042314 296239154 /nfs/dbraw/zinc/23/91/54/296239154.db2.gz APFGGPGXYZHEQF-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042314 296239156 /nfs/dbraw/zinc/23/91/56/296239156.db2.gz APFGGPGXYZHEQF-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292042314 296239158 /nfs/dbraw/zinc/23/91/58/296239158.db2.gz APFGGPGXYZHEQF-BBRMVZONSA-N 2 2 278.827 3.429 20 0 CGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000537449406 376170053 /nfs/dbraw/zinc/17/00/53/376170053.db2.gz IAZBDEHNNGOZAH-UHFFFAOYSA-N 2 2 288.410 3.279 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1N(C)C ZINC000536704470 376125662 /nfs/dbraw/zinc/12/56/62/376125662.db2.gz BGHXYSRMMBVCTB-OAHLLOKOSA-N 2 2 286.423 3.080 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000337530865 376227778 /nfs/dbraw/zinc/22/77/78/376227778.db2.gz CXFFVKBTWKMXIC-GUTXKFCHSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccccc2SC)[C@@H](C)C1 ZINC000337530865 376227784 /nfs/dbraw/zinc/22/77/84/376227784.db2.gz CXFFVKBTWKMXIC-GUTXKFCHSA-N 2 2 278.465 3.399 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000222847554 376242333 /nfs/dbraw/zinc/24/23/33/376242333.db2.gz IPNIDLSZUWMHGD-MNOVXSKESA-N 2 2 284.856 3.159 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000222847554 376242339 /nfs/dbraw/zinc/24/23/39/376242339.db2.gz IPNIDLSZUWMHGD-MNOVXSKESA-N 2 2 284.856 3.159 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000338002194 376253952 /nfs/dbraw/zinc/25/39/52/376253952.db2.gz UTMFAZCJCHSBIE-QWHCGFSZSA-N 2 2 293.361 3.161 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000338280619 376310391 /nfs/dbraw/zinc/31/03/91/376310391.db2.gz LVPOURJLYFAEOC-ZDUSSCGKSA-N 2 2 282.403 3.217 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000226017307 376339214 /nfs/dbraw/zinc/33/92/14/376339214.db2.gz QZELTYXUASKHCJ-RUXDESIVSA-N 2 2 278.827 3.270 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000226017307 376339218 /nfs/dbraw/zinc/33/92/18/376339218.db2.gz QZELTYXUASKHCJ-RUXDESIVSA-N 2 2 278.827 3.270 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000539046637 376287759 /nfs/dbraw/zinc/28/77/59/376287759.db2.gz LYIYXAZDRHLDLQ-IIDMSEBBSA-N 2 2 274.452 3.281 20 0 CGADLP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000539046637 376287771 /nfs/dbraw/zinc/28/77/71/376287771.db2.gz LYIYXAZDRHLDLQ-IIDMSEBBSA-N 2 2 274.452 3.281 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(C)CCC2)n1-c1ccccc1 ZINC000227762354 376409334 /nfs/dbraw/zinc/40/93/34/376409334.db2.gz ZCHROMZPRSMRQI-UHFFFAOYSA-N 2 2 269.392 3.461 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000540370604 376371265 /nfs/dbraw/zinc/37/12/65/376371265.db2.gz VGXFNWUKBUOCQD-UKRRQHHQSA-N 2 2 294.414 3.359 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000540370604 376371270 /nfs/dbraw/zinc/37/12/70/376371270.db2.gz VGXFNWUKBUOCQD-UKRRQHHQSA-N 2 2 294.414 3.359 20 0 CGADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CCC2)o1 ZINC000541748753 376478919 /nfs/dbraw/zinc/47/89/19/376478919.db2.gz UIPHBPIJBGETDY-MRXNPFEDSA-N 2 2 262.397 3.113 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000230993680 376551059 /nfs/dbraw/zinc/55/10/59/376551059.db2.gz LLVWCHFZLLBHBA-HOTGVXAUSA-N 2 2 263.429 3.468 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(O)cc(F)c1 ZINC000230744999 376539739 /nfs/dbraw/zinc/53/97/39/376539739.db2.gz ZIGFDNNIHWHPST-UHFFFAOYSA-N 2 2 282.403 3.085 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(O)cc(F)c1 ZINC000230744999 376539751 /nfs/dbraw/zinc/53/97/51/376539751.db2.gz ZIGFDNNIHWHPST-UHFFFAOYSA-N 2 2 282.403 3.085 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCCCCC1)[N@H+](C)C1CC1 ZINC000542471044 376545087 /nfs/dbraw/zinc/54/50/87/376545087.db2.gz OMVCFFRDBAANJM-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CCCCCC1)[N@@H+](C)C1CC1 ZINC000542471044 376545093 /nfs/dbraw/zinc/54/50/93/376545093.db2.gz OMVCFFRDBAANJM-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339169247 376721110 /nfs/dbraw/zinc/72/11/10/376721110.db2.gz DXUIXKOZRIKFEU-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339169247 376721115 /nfs/dbraw/zinc/72/11/15/376721115.db2.gz DXUIXKOZRIKFEU-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CC(C)[C@H](C[NH2+]CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236672777 376680071 /nfs/dbraw/zinc/68/00/71/376680071.db2.gz VAJCCQSMXBLDKC-SFHVURJKSA-N 2 2 272.436 3.069 20 0 CGADLP CC(C)[C@H](C[NH2+]CC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236672777 376680082 /nfs/dbraw/zinc/68/00/82/376680082.db2.gz VAJCCQSMXBLDKC-SFHVURJKSA-N 2 2 272.436 3.069 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@H]3C)[nH+]c12 ZINC000156330448 542127550 /nfs/dbraw/zinc/12/75/50/542127550.db2.gz LPWXEUKAIMIHPN-CZUORRHYSA-N 2 2 271.408 3.354 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688670 376882044 /nfs/dbraw/zinc/88/20/44/376882044.db2.gz ANRVJVDQMYLZAL-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688670 376882054 /nfs/dbraw/zinc/88/20/54/376882054.db2.gz ANRVJVDQMYLZAL-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688670 376882064 /nfs/dbraw/zinc/88/20/64/376882064.db2.gz ANRVJVDQMYLZAL-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3F)CC[C@H]21 ZINC000245688670 376882069 /nfs/dbraw/zinc/88/20/69/376882069.db2.gz ANRVJVDQMYLZAL-BLLLJJGKSA-N 2 2 296.817 3.395 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000245769532 376905093 /nfs/dbraw/zinc/90/50/93/376905093.db2.gz RLZILHFKNLCFCQ-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000245769532 376905099 /nfs/dbraw/zinc/90/50/99/376905099.db2.gz RLZILHFKNLCFCQ-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000245769532 376905102 /nfs/dbraw/zinc/90/51/02/376905102.db2.gz RLZILHFKNLCFCQ-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000245769532 376905110 /nfs/dbraw/zinc/90/51/10/376905110.db2.gz RLZILHFKNLCFCQ-YCPHGPKFSA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC000558126505 376976992 /nfs/dbraw/zinc/97/69/92/376976992.db2.gz GTHXSRVCCRXQDJ-FUHIMQAGSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CCc2ccccc2C1 ZINC000558126505 376976996 /nfs/dbraw/zinc/97/69/96/376976996.db2.gz GTHXSRVCCRXQDJ-FUHIMQAGSA-N 2 2 298.474 3.350 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000557278388 376928618 /nfs/dbraw/zinc/92/86/18/376928618.db2.gz XLLPMXJWIYYLAG-PLOWYNNNSA-N 2 2 286.463 3.499 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000557278388 376928627 /nfs/dbraw/zinc/92/86/27/376928627.db2.gz XLLPMXJWIYYLAG-PLOWYNNNSA-N 2 2 286.463 3.499 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(C2CC2)c1 ZINC000340181237 376937137 /nfs/dbraw/zinc/93/71/37/376937137.db2.gz NGYFVPKXIAVFFL-CQSZACIVSA-N 2 2 258.409 3.310 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000340387948 377029810 /nfs/dbraw/zinc/02/98/10/377029810.db2.gz CMOAOEUAQGATLC-MIGQKNRLSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]2C(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000340387948 377029815 /nfs/dbraw/zinc/02/98/15/377029815.db2.gz CMOAOEUAQGATLC-MIGQKNRLSA-N 2 2 294.389 3.283 20 0 CGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246447530 377033483 /nfs/dbraw/zinc/03/34/83/377033483.db2.gz PBEBMOIJDXRFKH-ZIAGYGMSSA-N 2 2 281.469 3.162 20 0 CGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246447530 377033491 /nfs/dbraw/zinc/03/34/91/377033491.db2.gz PBEBMOIJDXRFKH-ZIAGYGMSSA-N 2 2 281.469 3.162 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518926 377115459 /nfs/dbraw/zinc/11/54/59/377115459.db2.gz JZVKYAUEJGQDHP-YQQAZPJKSA-N 2 2 290.451 3.053 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518926 377115462 /nfs/dbraw/zinc/11/54/62/377115462.db2.gz JZVKYAUEJGQDHP-YQQAZPJKSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000558921335 377054604 /nfs/dbraw/zinc/05/46/04/377054604.db2.gz YSEOYRUJDBCRFP-SOLBZPMBSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000558921335 377054608 /nfs/dbraw/zinc/05/46/08/377054608.db2.gz YSEOYRUJDBCRFP-SOLBZPMBSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@H+](C)Cc1ccccc1 ZINC000340477183 377090650 /nfs/dbraw/zinc/09/06/50/377090650.db2.gz XBZCCXLCKMDXFN-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340477183 377090655 /nfs/dbraw/zinc/09/06/55/377090655.db2.gz XBZCCXLCKMDXFN-JFIYKMOQSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000246983076 377131990 /nfs/dbraw/zinc/13/19/90/377131990.db2.gz KEDTUCBOYPIGKY-KBXCAEBGSA-N 2 2 284.447 3.285 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000246983076 377131998 /nfs/dbraw/zinc/13/19/98/377131998.db2.gz KEDTUCBOYPIGKY-KBXCAEBGSA-N 2 2 284.447 3.285 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1OC ZINC000247096502 377159511 /nfs/dbraw/zinc/15/95/11/377159511.db2.gz PSTQBLIHWIKCHP-PVAVHDDUSA-N 2 2 290.451 3.465 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1OC ZINC000247096502 377159515 /nfs/dbraw/zinc/15/95/15/377159515.db2.gz PSTQBLIHWIKCHP-PVAVHDDUSA-N 2 2 290.451 3.465 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247920284 377244496 /nfs/dbraw/zinc/24/44/96/377244496.db2.gz BBSZJCRVXMIMJG-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000247920284 377244500 /nfs/dbraw/zinc/24/45/00/377244500.db2.gz BBSZJCRVXMIMJG-SWLSCSKDSA-N 2 2 296.842 3.169 20 0 CGADLP Cc1cc[nH+]c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000340768319 377250206 /nfs/dbraw/zinc/25/02/06/377250206.db2.gz BKCXKIFOUJKEGB-UHFFFAOYSA-N 2 2 284.407 3.283 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000562017059 377266072 /nfs/dbraw/zinc/26/60/72/377266072.db2.gz RPBMIAISYAGGLR-CVEARBPZSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100636 377277962 /nfs/dbraw/zinc/27/79/62/377277962.db2.gz UUIUSRUWRJAFLF-KZUMUSTHSA-N 2 2 299.462 3.462 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000562100636 377277970 /nfs/dbraw/zinc/27/79/70/377277970.db2.gz UUIUSRUWRJAFLF-KZUMUSTHSA-N 2 2 299.462 3.462 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000248532698 377338336 /nfs/dbraw/zinc/33/83/36/377338336.db2.gz RDTUNMNWOKMLKN-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000248532698 377338345 /nfs/dbraw/zinc/33/83/45/377338345.db2.gz RDTUNMNWOKMLKN-OCCSQVGLSA-N 2 2 298.377 3.423 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000163830702 542168927 /nfs/dbraw/zinc/16/89/27/542168927.db2.gz NNOLZVDUIVXNSK-INIZCTEOSA-N 2 2 285.366 3.300 20 0 CGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313248601 249089903 /nfs/dbraw/zinc/08/99/03/249089903.db2.gz BZCBZQUQDCEXCK-GJZGRUSLSA-N 2 2 263.429 3.157 20 0 CGADLP CC(C)(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422904860 249127649 /nfs/dbraw/zinc/12/76/49/249127649.db2.gz YFLBJPBUXRWWKS-HUUCEWRRSA-N 2 2 264.388 3.255 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000514782237 249189078 /nfs/dbraw/zinc/18/90/78/249189078.db2.gz BQMNARBESWPRSD-LBPRGKRZSA-N 2 2 295.839 3.290 20 0 CGADLP C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341478135 377584207 /nfs/dbraw/zinc/58/42/07/377584207.db2.gz GXCFCVWJOLVRRS-STQMWFEESA-N 2 2 275.421 3.460 20 0 CGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251602062 377591096 /nfs/dbraw/zinc/59/10/96/377591096.db2.gz DDHIWPNBGVGLFS-GXFFZTMASA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1[NH3+] ZINC000251602062 377591101 /nfs/dbraw/zinc/59/11/01/377591101.db2.gz DDHIWPNBGVGLFS-GXFFZTMASA-N 2 2 293.461 3.041 20 0 CGADLP C[C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265538609 190189372 /nfs/dbraw/zinc/18/93/72/190189372.db2.gz WPFZCCQTSLTCKI-CYBMUJFWSA-N 2 2 255.365 3.350 20 0 CGADLP Clc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265553070 190189690 /nfs/dbraw/zinc/18/96/90/190189690.db2.gz YXERLHJAZPRDEZ-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP c1c[nH+]c(C2CC[NH+](CCCc3ccccc3)CC2)[nH]1 ZINC000265553201 190189777 /nfs/dbraw/zinc/18/97/77/190189777.db2.gz ZDVQQRSSBNJUQH-UHFFFAOYSA-N 2 2 269.392 3.222 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000252154848 377615711 /nfs/dbraw/zinc/61/57/11/377615711.db2.gz PAOKLWJNYDBUAM-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000252154848 377615719 /nfs/dbraw/zinc/61/57/19/377615719.db2.gz PAOKLWJNYDBUAM-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H](C)OC)c1ccccc1 ZINC000252714603 377653665 /nfs/dbraw/zinc/65/36/65/377653665.db2.gz SKJMWRJIUIDQDK-HLLBOEOZSA-N 2 2 278.440 3.083 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000252962421 377671120 /nfs/dbraw/zinc/67/11/20/377671120.db2.gz PCUZAGHYQHKCPO-NJAFHUGGSA-N 2 2 290.451 3.130 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439519 377663745 /nfs/dbraw/zinc/66/37/45/377663745.db2.gz VHMGMNRMYGWRAH-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439519 377663751 /nfs/dbraw/zinc/66/37/51/377663751.db2.gz VHMGMNRMYGWRAH-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439519 377663758 /nfs/dbraw/zinc/66/37/58/377663758.db2.gz VHMGMNRMYGWRAH-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439519 377663760 /nfs/dbraw/zinc/66/37/60/377663760.db2.gz VHMGMNRMYGWRAH-WFASDCNBSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439515 377664310 /nfs/dbraw/zinc/66/43/10/377664310.db2.gz VHMGMNRMYGWRAH-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2F)C1 ZINC000574439515 377664318 /nfs/dbraw/zinc/66/43/18/377664318.db2.gz VHMGMNRMYGWRAH-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439515 377664324 /nfs/dbraw/zinc/66/43/24/377664324.db2.gz VHMGMNRMYGWRAH-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2F)C1 ZINC000574439515 377664327 /nfs/dbraw/zinc/66/43/27/377664327.db2.gz VHMGMNRMYGWRAH-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP CC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000574519955 377674251 /nfs/dbraw/zinc/67/42/51/377674251.db2.gz MCSQMCBLXCKPLA-UHFFFAOYSA-N 2 2 295.390 3.007 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000342656406 377716149 /nfs/dbraw/zinc/71/61/49/377716149.db2.gz BSOYZRYVMJKCFS-ZTFGCOKTSA-N 2 2 290.451 3.119 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000342661914 377718621 /nfs/dbraw/zinc/71/86/21/377718621.db2.gz HMDAYNCOLNGFQT-OLMNPRSZSA-N 2 2 299.418 3.064 20 0 CGADLP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000342674317 377726081 /nfs/dbraw/zinc/72/60/81/377726081.db2.gz TXGSCBAVNZQWMG-JFTQMJAMSA-N 2 2 299.418 3.062 20 0 CGADLP Cc1[nH+]cc(CNc2ccc(CCC(C)C)c[nH+]2)n1C ZINC000574927504 377727862 /nfs/dbraw/zinc/72/78/62/377727862.db2.gz LVWOODZXGSANRL-UHFFFAOYSA-N 2 2 272.396 3.324 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000342718536 377753675 /nfs/dbraw/zinc/75/36/75/377753675.db2.gz YQLHHRUOEITCQR-UKRRQHHQSA-N 2 2 272.502 3.228 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000261589306 377822950 /nfs/dbraw/zinc/82/29/50/377822950.db2.gz WGSPQEXIVSNLBR-LEWSCRJBSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]12 ZINC000261589306 377822955 /nfs/dbraw/zinc/82/29/55/377822955.db2.gz WGSPQEXIVSNLBR-LEWSCRJBSA-N 2 2 285.218 3.163 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591794 377824186 /nfs/dbraw/zinc/82/41/86/377824186.db2.gz YAAVHUSDSXEZOP-IINYFYTJSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261591794 377824196 /nfs/dbraw/zinc/82/41/96/377824196.db2.gz YAAVHUSDSXEZOP-IINYFYTJSA-N 2 2 270.779 3.211 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@H]2Cc2ccccc2)[nH+]1 ZINC000342941729 377868323 /nfs/dbraw/zinc/86/83/23/377868323.db2.gz KQZKGICKSFZVIL-INIZCTEOSA-N 2 2 277.371 3.151 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]2Cc2ccccc2)[nH+]1 ZINC000342941729 377868329 /nfs/dbraw/zinc/86/83/29/377868329.db2.gz KQZKGICKSFZVIL-INIZCTEOSA-N 2 2 277.371 3.151 20 0 CGADLP c1ccc2ncc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000262360957 377895412 /nfs/dbraw/zinc/89/54/12/377895412.db2.gz WJTISTRXMXWJBU-UHFFFAOYSA-N 2 2 295.430 3.199 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000261831486 377859339 /nfs/dbraw/zinc/85/93/39/377859339.db2.gz JBTAFZQYOATISO-UHFFFAOYSA-N 2 2 297.240 3.151 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000261831486 377859340 /nfs/dbraw/zinc/85/93/40/377859340.db2.gz JBTAFZQYOATISO-UHFFFAOYSA-N 2 2 297.240 3.151 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CC1 ZINC000578500455 378076211 /nfs/dbraw/zinc/07/62/11/378076211.db2.gz LYDSDKKOWPYXIN-CQSZACIVSA-N 2 2 279.453 3.018 20 0 CGADLP CCN(CC[NH+]1CCCCCC1)c1cc(C)cc[nH+]1 ZINC000343795319 378095549 /nfs/dbraw/zinc/09/55/49/378095549.db2.gz RCKAVXRYZRDUFJ-UHFFFAOYSA-N 2 2 261.413 3.092 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cncs1 ZINC000268731113 378098202 /nfs/dbraw/zinc/09/82/02/378098202.db2.gz AHLSUEAPAWNCTC-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000268733029 378098569 /nfs/dbraw/zinc/09/85/69/378098569.db2.gz UQYJCWGBHACJDX-KBPBESRZSA-N 2 2 295.390 3.018 20 0 CGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH]c2ccccc2[nH+]1 ZINC000343811864 378099445 /nfs/dbraw/zinc/09/94/45/378099445.db2.gz RXECKTYTEKCZFQ-UHFFFAOYSA-N 2 2 298.390 3.114 20 0 CGADLP CC(C)C[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268775308 378107707 /nfs/dbraw/zinc/10/77/07/378107707.db2.gz RIFXMBQSKSUPQO-OAHLLOKOSA-N 2 2 271.408 3.456 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1C ZINC000268783203 378109538 /nfs/dbraw/zinc/10/95/38/378109538.db2.gz AFIDZPQZXRJXEX-HIFRSBDPSA-N 2 2 257.381 3.239 20 0 CGADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3C3CC3)CC2)[nH+]c1 ZINC000345073423 378188889 /nfs/dbraw/zinc/18/88/89/378188889.db2.gz XNBSNRPFCQEKNP-DLBZAZTESA-N 2 2 285.435 3.219 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000269335917 378208206 /nfs/dbraw/zinc/20/82/06/378208206.db2.gz OZIRWVPPGZOXGH-STQMWFEESA-N 2 2 299.374 3.377 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000269006841 378172760 /nfs/dbraw/zinc/17/27/60/378172760.db2.gz LGPVODYGLMRBSI-MMPTUQATSA-N 2 2 280.362 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000269006841 378172765 /nfs/dbraw/zinc/17/27/65/378172765.db2.gz LGPVODYGLMRBSI-MMPTUQATSA-N 2 2 280.362 3.098 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344527098 378173852 /nfs/dbraw/zinc/17/38/52/378173852.db2.gz PIBYDIFJXDMPMP-HOTGVXAUSA-N 2 2 296.499 3.434 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000344694111 378177834 /nfs/dbraw/zinc/17/78/34/378177834.db2.gz ATEMRSISOPUCQG-JMPLCFMRSA-N 2 2 290.476 3.117 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000580821342 378261067 /nfs/dbraw/zinc/26/10/67/378261067.db2.gz YFFNWDIAGZDMAB-SNVBAGLBSA-N 2 2 264.756 3.037 20 0 CGADLP CC[C@H](O)C[NH2+]C[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000583317256 378321111 /nfs/dbraw/zinc/32/11/11/378321111.db2.gz BEERGNCVDZNIBU-NJAFHUGGSA-N 2 2 292.467 3.112 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000270846692 378405921 /nfs/dbraw/zinc/40/59/21/378405921.db2.gz GYAGRXFZHXVDQT-HNNXBMFYSA-N 2 2 298.415 3.027 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000270908917 378411922 /nfs/dbraw/zinc/41/19/22/378411922.db2.gz SNHZINJOJVFMKL-WMLDXEAASA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000270908917 378411931 /nfs/dbraw/zinc/41/19/31/378411931.db2.gz SNHZINJOJVFMKL-WMLDXEAASA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000270678582 378387786 /nfs/dbraw/zinc/38/77/86/378387786.db2.gz UBNNTLQLOCSLBS-CZUORRHYSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000270678582 378387796 /nfs/dbraw/zinc/38/77/96/378387796.db2.gz UBNNTLQLOCSLBS-CZUORRHYSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000271177395 378472831 /nfs/dbraw/zinc/47/28/31/378472831.db2.gz GDOPGQUKZBRFAC-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP c1csc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000271045498 378437354 /nfs/dbraw/zinc/43/73/54/378437354.db2.gz PYEOCQMCUVETHU-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000271048287 378438389 /nfs/dbraw/zinc/43/83/89/378438389.db2.gz SNKBRTRGSBIQMK-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000271048287 378438396 /nfs/dbraw/zinc/43/83/96/378438396.db2.gz SNKBRTRGSBIQMK-UHFFFAOYSA-N 2 2 252.427 3.053 20 0 CGADLP CCOC[C@@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346588066 378635606 /nfs/dbraw/zinc/63/56/06/378635606.db2.gz FQRAMXMLYSXHHC-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP CCOC[C@@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346588066 378635614 /nfs/dbraw/zinc/63/56/14/378635614.db2.gz FQRAMXMLYSXHHC-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000346594947 378639208 /nfs/dbraw/zinc/63/92/08/378639208.db2.gz MRJIHMVSENRICT-MSOLQXFVSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000346594947 378639211 /nfs/dbraw/zinc/63/92/11/378639211.db2.gz MRJIHMVSENRICT-MSOLQXFVSA-N 2 2 292.467 3.158 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4ncccc34)CC2)c[nH+]1 ZINC000637984794 378657348 /nfs/dbraw/zinc/65/73/48/378657348.db2.gz AVTFQITZUMMDQQ-UHFFFAOYSA-N 2 2 292.386 3.268 20 0 CGADLP CC(C)(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Oc1ccccc1 ZINC000638018702 378670670 /nfs/dbraw/zinc/67/06/70/378670670.db2.gz SCZBHHSUDCIBHD-MRXNPFEDSA-N 2 2 299.418 3.378 20 0 CGADLP CC(C)(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Oc1ccccc1 ZINC000638018702 378670676 /nfs/dbraw/zinc/67/06/76/378670676.db2.gz SCZBHHSUDCIBHD-MRXNPFEDSA-N 2 2 299.418 3.378 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000347947430 378735629 /nfs/dbraw/zinc/73/56/29/378735629.db2.gz SVKORZOTUTVZOH-CQSZACIVSA-N 2 2 298.386 3.402 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@@H](C)C1 ZINC000347353449 378716124 /nfs/dbraw/zinc/71/61/24/378716124.db2.gz FMGKCWZOYMFKMX-JSGCOSHPSA-N 2 2 295.496 3.395 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)c(C)s2)[C@@H](C)C1 ZINC000347353449 378716127 /nfs/dbraw/zinc/71/61/27/378716127.db2.gz FMGKCWZOYMFKMX-JSGCOSHPSA-N 2 2 295.496 3.395 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+]CCCc3c[nH+]ccc3C)nc2c1 ZINC000348041526 378762742 /nfs/dbraw/zinc/76/27/42/378762742.db2.gz LVZXCDDRFTYFNS-UHFFFAOYSA-N 2 2 294.402 3.297 20 0 CGADLP Cc1ccc2nc(C[NH2+]CCCc3c[nH+]ccc3C)[nH]c2c1 ZINC000348041526 378762747 /nfs/dbraw/zinc/76/27/47/378762747.db2.gz LVZXCDDRFTYFNS-UHFFFAOYSA-N 2 2 294.402 3.297 20 0 CGADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348064450 378774487 /nfs/dbraw/zinc/77/44/87/378774487.db2.gz AFHRYYAOLIHWOI-KBPBESRZSA-N 2 2 261.413 3.298 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H]2CS[C@H](C)C2)[NH+](C)C)cc1 ZINC000638448995 378806928 /nfs/dbraw/zinc/80/69/28/378806928.db2.gz YSCMMQHVFFOPAB-BMFZPTHFSA-N 2 2 278.465 3.081 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346802614 218019734 /nfs/dbraw/zinc/01/97/34/218019734.db2.gz DIKCFFWCNWNMGU-AVGNSLFASA-N 2 2 252.427 3.190 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346802614 218019735 /nfs/dbraw/zinc/01/97/35/218019735.db2.gz DIKCFFWCNWNMGU-AVGNSLFASA-N 2 2 252.427 3.190 20 0 CGADLP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)sn1 ZINC000638455251 378810319 /nfs/dbraw/zinc/81/03/19/378810319.db2.gz VCVKPXLRPGXKEQ-UHFFFAOYSA-N 2 2 293.480 3.196 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261484 378871890 /nfs/dbraw/zinc/87/18/90/378871890.db2.gz MVKWSEGCPNVPGG-CZUORRHYSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)C1 ZINC000348261484 378871894 /nfs/dbraw/zinc/87/18/94/378871894.db2.gz MVKWSEGCPNVPGG-CZUORRHYSA-N 2 2 293.480 3.217 20 0 CGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)C[NH+](C)C ZINC000348304712 378895998 /nfs/dbraw/zinc/89/59/98/378895998.db2.gz OGRZLWWDDIEHMM-VXGBXAGGSA-N 2 2 288.357 3.176 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]CC1CCSCC1)c1ccccc1 ZINC000638847017 378934179 /nfs/dbraw/zinc/93/41/79/378934179.db2.gz HPRXOVIRQBBRMI-MRXNPFEDSA-N 2 2 278.465 3.022 20 0 CGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000348391051 378937817 /nfs/dbraw/zinc/93/78/17/378937817.db2.gz QSFDSZHHNGNXOF-ZFWWWQNUSA-N 2 2 281.469 3.133 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348340752 378917480 /nfs/dbraw/zinc/91/74/80/378917480.db2.gz XMZWGJKYNWUTSS-WBVHZDCISA-N 2 2 290.426 3.379 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348340752 378917483 /nfs/dbraw/zinc/91/74/83/378917483.db2.gz XMZWGJKYNWUTSS-WBVHZDCISA-N 2 2 290.426 3.379 20 0 CGADLP CCC[N@H+](Cc1ncc(C(C)C)s1)C1CC[NH2+]CC1 ZINC000346997203 218085646 /nfs/dbraw/zinc/08/56/46/218085646.db2.gz CNVPRIWLBAJFAB-UHFFFAOYSA-N 2 2 281.469 3.231 20 0 CGADLP CCC[N@@H+](Cc1ncc(C(C)C)s1)C1CC[NH2+]CC1 ZINC000346997203 218085647 /nfs/dbraw/zinc/08/56/47/218085647.db2.gz CNVPRIWLBAJFAB-UHFFFAOYSA-N 2 2 281.469 3.231 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)c[nH+]1 ZINC000348523400 378976645 /nfs/dbraw/zinc/97/66/45/378976645.db2.gz DNBVMROOCWQKJY-ZWKOTPCHSA-N 2 2 299.418 3.001 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000347036613 218100225 /nfs/dbraw/zinc/10/02/25/218100225.db2.gz HDLOJVHMCALRSU-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000347036613 218100227 /nfs/dbraw/zinc/10/02/27/218100227.db2.gz HDLOJVHMCALRSU-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347050185 218104247 /nfs/dbraw/zinc/10/42/47/218104247.db2.gz QJYNRJOQBMMNCZ-INIZCTEOSA-N 2 2 297.402 3.105 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1Oc1cccnc1 ZINC000347050185 218104249 /nfs/dbraw/zinc/10/42/49/218104249.db2.gz QJYNRJOQBMMNCZ-INIZCTEOSA-N 2 2 297.402 3.105 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347096922 218118882 /nfs/dbraw/zinc/11/88/82/218118882.db2.gz SLOKQBCMWWSFRM-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347096922 218118884 /nfs/dbraw/zinc/11/88/84/218118884.db2.gz SLOKQBCMWWSFRM-SFHVURJKSA-N 2 2 282.387 3.297 20 0 CGADLP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C ZINC000347102409 218121954 /nfs/dbraw/zinc/12/19/54/218121954.db2.gz MEPYKFFBBZHANY-GDBMZVCRSA-N 2 2 276.424 3.014 20 0 CGADLP COc1c(C)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C ZINC000347102409 218121958 /nfs/dbraw/zinc/12/19/58/218121958.db2.gz MEPYKFFBBZHANY-GDBMZVCRSA-N 2 2 276.424 3.014 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347163740 218141568 /nfs/dbraw/zinc/14/15/68/218141568.db2.gz IZULWTIGLBMCCN-GOSISDBHSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347163740 218141571 /nfs/dbraw/zinc/14/15/71/218141571.db2.gz IZULWTIGLBMCCN-GOSISDBHSA-N 2 2 281.403 3.062 20 0 CGADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639072177 379003028 /nfs/dbraw/zinc/00/30/28/379003028.db2.gz SMQLAXIJVXPDSG-BZUAXINKSA-N 2 2 273.424 3.313 20 0 CGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(C)cc[nH+]1 ZINC000276994960 379041825 /nfs/dbraw/zinc/04/18/25/379041825.db2.gz HBAIIUUQVDTSFI-UHFFFAOYSA-N 2 2 272.396 3.066 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000348720708 379033864 /nfs/dbraw/zinc/03/38/64/379033864.db2.gz GDRLAWPJGFBDQV-KRWDZBQOSA-N 2 2 296.418 3.088 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000348720708 379033868 /nfs/dbraw/zinc/03/38/68/379033868.db2.gz GDRLAWPJGFBDQV-KRWDZBQOSA-N 2 2 296.418 3.088 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC000347317186 218189393 /nfs/dbraw/zinc/18/93/93/218189393.db2.gz ITCOTZPTIGDVEP-QGZVFWFLSA-N 2 2 274.452 3.187 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000567871930 322181061 /nfs/dbraw/zinc/18/10/61/322181061.db2.gz GCJDKJIJJAJJOG-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](c1ccccc1)C(C)C ZINC000567871930 322181064 /nfs/dbraw/zinc/18/10/64/322181064.db2.gz GCJDKJIJJAJJOG-IAGOWNOFSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277083173 379062810 /nfs/dbraw/zinc/06/28/10/379062810.db2.gz FLJSVNNDSHAHJI-KBPBESRZSA-N 2 2 287.407 3.305 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277083173 379062815 /nfs/dbraw/zinc/06/28/15/379062815.db2.gz FLJSVNNDSHAHJI-KBPBESRZSA-N 2 2 287.407 3.305 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCCSc2ccccc2)n1C ZINC000568273238 322202123 /nfs/dbraw/zinc/20/21/23/322202123.db2.gz NNFVLBOKHPQKHG-UHFFFAOYSA-N 2 2 275.421 3.001 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+]CCC[C@H]3CCO3)cc2)c1C ZINC000639199473 379125165 /nfs/dbraw/zinc/12/51/65/379125165.db2.gz XIBORILAJVAQLK-KRWDZBQOSA-N 2 2 285.391 3.470 20 0 CGADLP CC(C)c1[nH+]ccn1Cc1[nH+]ccn1-c1ccccc1 ZINC000277484507 379171301 /nfs/dbraw/zinc/17/13/01/379171301.db2.gz LAZPHEKTAKQXPA-UHFFFAOYSA-N 2 2 266.348 3.241 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000349181857 379179913 /nfs/dbraw/zinc/17/99/13/379179913.db2.gz FTFQKGMZKFWBHB-UMVBOHGHSA-N 2 2 285.391 3.126 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000349181857 379179919 /nfs/dbraw/zinc/17/99/19/379179919.db2.gz FTFQKGMZKFWBHB-UMVBOHGHSA-N 2 2 285.391 3.126 20 0 CGADLP COC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186319567 284764712 /nfs/dbraw/zinc/76/47/12/284764712.db2.gz WYDAWIFFOIEGQB-LTDKPHRXSA-N 2 2 290.451 3.225 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc2ccccc12 ZINC000349350853 379242779 /nfs/dbraw/zinc/24/27/79/379242779.db2.gz PLJFLDYNYXGTIL-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc2ccccc12 ZINC000349350853 379242784 /nfs/dbraw/zinc/24/27/84/379242784.db2.gz PLJFLDYNYXGTIL-UHFFFAOYSA-N 2 2 269.348 3.151 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(CC)o1 ZINC000349353077 379244112 /nfs/dbraw/zinc/24/41/12/379244112.db2.gz RONPKDBJVWHELI-UHFFFAOYSA-N 2 2 252.402 3.006 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CC)o1 ZINC000349353077 379244117 /nfs/dbraw/zinc/24/41/17/379244117.db2.gz RONPKDBJVWHELI-UHFFFAOYSA-N 2 2 252.402 3.006 20 0 CGADLP CC[C@H](C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000349355378 379244883 /nfs/dbraw/zinc/24/48/83/379244883.db2.gz VAAYHLMIGMAHOE-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP CC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000349355378 379244897 /nfs/dbraw/zinc/24/48/97/379244897.db2.gz VAAYHLMIGMAHOE-MRXNPFEDSA-N 2 2 271.408 3.399 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc(C)s2)CC1 ZINC000639376784 379335067 /nfs/dbraw/zinc/33/50/67/379335067.db2.gz ZRQODMGGOYSMKR-UHFFFAOYSA-N 2 2 293.480 3.292 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000639378403 379338378 /nfs/dbraw/zinc/33/83/78/379338378.db2.gz PXSUNTUUPUPAKA-UHFFFAOYSA-N 2 2 287.407 3.134 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000639380111 379340137 /nfs/dbraw/zinc/34/01/37/379340137.db2.gz VVAYPKCZIOEKHK-UHFFFAOYSA-N 2 2 292.471 3.079 20 0 CGADLP C[C@H](c1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347617454 218293721 /nfs/dbraw/zinc/29/37/21/218293721.db2.gz UFLIBUJZDNHWQY-CYBMUJFWSA-N 2 2 289.448 3.398 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347617454 218293722 /nfs/dbraw/zinc/29/37/22/218293722.db2.gz UFLIBUJZDNHWQY-CYBMUJFWSA-N 2 2 289.448 3.398 20 0 CGADLP CCc1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000349815933 379397523 /nfs/dbraw/zinc/39/75/23/379397523.db2.gz HXODGIFFZTXPHA-UHFFFAOYSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)s1 ZINC000349815933 379397531 /nfs/dbraw/zinc/39/75/31/379397531.db2.gz HXODGIFFZTXPHA-UHFFFAOYSA-N 2 2 281.469 3.010 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000349999992 379472752 /nfs/dbraw/zinc/47/27/52/379472752.db2.gz GNGPDOYFLYVFAY-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000349999992 379472759 /nfs/dbraw/zinc/47/27/59/379472759.db2.gz GNGPDOYFLYVFAY-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP COC[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000376365878 379544250 /nfs/dbraw/zinc/54/42/50/379544250.db2.gz GCHJVUATKLMPHG-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP COC[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000376365878 379544254 /nfs/dbraw/zinc/54/42/54/379544254.db2.gz GCHJVUATKLMPHG-QGZVFWFLSA-N 2 2 299.418 3.121 20 0 CGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000376730856 379597440 /nfs/dbraw/zinc/59/74/40/379597440.db2.gz ZYHOCLAQDLHORY-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C)[nH+]1 ZINC000639890540 379629983 /nfs/dbraw/zinc/62/99/83/379629983.db2.gz VFNBABFKEGUOII-CABCVRRESA-N 2 2 276.449 3.477 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C)[nH+]1 ZINC000639890540 379629994 /nfs/dbraw/zinc/62/99/94/379629994.db2.gz VFNBABFKEGUOII-CABCVRRESA-N 2 2 276.449 3.477 20 0 CGADLP Cc1ccsc1C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347676171 218317518 /nfs/dbraw/zinc/31/75/18/218317518.db2.gz PIRYIBWXOXYLDQ-UHFFFAOYSA-N 2 2 295.477 3.207 20 0 CGADLP Cc1ccsc1C[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347676171 218317519 /nfs/dbraw/zinc/31/75/19/218317519.db2.gz PIRYIBWXOXYLDQ-UHFFFAOYSA-N 2 2 295.477 3.207 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc[nH+]1 ZINC000267238195 190314069 /nfs/dbraw/zinc/31/40/69/190314069.db2.gz RIJHTPLWXQVQOA-WBVHZDCISA-N 2 2 281.403 3.404 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc[nH+]1 ZINC000267238195 190314070 /nfs/dbraw/zinc/31/40/70/190314070.db2.gz RIJHTPLWXQVQOA-WBVHZDCISA-N 2 2 281.403 3.404 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000377783742 379740597 /nfs/dbraw/zinc/74/05/97/379740597.db2.gz PFOSQKNCZKZBOJ-JKSUJKDBSA-N 2 2 283.419 3.441 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000377783742 379740600 /nfs/dbraw/zinc/74/06/00/379740600.db2.gz PFOSQKNCZKZBOJ-JKSUJKDBSA-N 2 2 283.419 3.441 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000377831104 379748359 /nfs/dbraw/zinc/74/83/59/379748359.db2.gz JTKFEHZSVRGMNW-INIZCTEOSA-N 2 2 299.418 3.257 20 0 CGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352250590 379758762 /nfs/dbraw/zinc/75/87/62/379758762.db2.gz JJOGSYFGWJLSCB-GFCCVEGCSA-N 2 2 275.421 3.056 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352540133 379849504 /nfs/dbraw/zinc/84/95/04/379849504.db2.gz HMZYSBSAQMBEBB-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000352540133 379849507 /nfs/dbraw/zinc/84/95/07/379849507.db2.gz HMZYSBSAQMBEBB-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC12CCC2 ZINC000282162742 379865493 /nfs/dbraw/zinc/86/54/93/379865493.db2.gz LTYBKFYACAOBTM-INIZCTEOSA-N 2 2 269.392 3.267 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381488529 379867336 /nfs/dbraw/zinc/86/73/36/379867336.db2.gz PMFVWWLMHXXAQB-JSGCOSHPSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000381488529 379867342 /nfs/dbraw/zinc/86/73/42/379867342.db2.gz PMFVWWLMHXXAQB-JSGCOSHPSA-N 2 2 252.427 3.191 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000352617543 379881163 /nfs/dbraw/zinc/88/11/63/379881163.db2.gz FBCBZDBMSJSEPQ-KRWDZBQOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000352617543 379881169 /nfs/dbraw/zinc/88/11/69/379881169.db2.gz FBCBZDBMSJSEPQ-KRWDZBQOSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000400416058 379949103 /nfs/dbraw/zinc/94/91/03/379949103.db2.gz VJASZXOJADVIEQ-MISXGVKJSA-N 2 2 297.240 3.240 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000400710778 379953936 /nfs/dbraw/zinc/95/39/36/379953936.db2.gz MCPZKJBWEDIHPZ-WDMOLILDSA-N 2 2 252.427 3.156 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302662 379986391 /nfs/dbraw/zinc/98/63/91/379986391.db2.gz RVOWMOLHQKZCRV-MGPQQGTHSA-N 2 2 277.387 3.062 20 0 CGADLP Fc1c[nH+]ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000641487453 380016347 /nfs/dbraw/zinc/01/63/47/380016347.db2.gz KBAGQPCSIPCMMH-UHFFFAOYSA-N 2 2 288.370 3.114 20 0 CGADLP CC(C)(C)c1cc[nH+]c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000641503683 380019129 /nfs/dbraw/zinc/01/91/29/380019129.db2.gz UXWOGGKQQMQGKE-CYBMUJFWSA-N 2 2 270.380 3.003 20 0 CGADLP CSc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000641732593 380068079 /nfs/dbraw/zinc/06/80/79/380068079.db2.gz IRRARZCQQLQFQH-UHFFFAOYSA-N 2 2 294.464 3.498 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065396 380210663 /nfs/dbraw/zinc/21/06/63/380210663.db2.gz AUZZVKXZKSBZON-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065396 380210668 /nfs/dbraw/zinc/21/06/68/380210668.db2.gz AUZZVKXZKSBZON-DOMZBBRYSA-N 2 2 272.417 3.085 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000353930270 380240060 /nfs/dbraw/zinc/24/00/60/380240060.db2.gz GIVADTPPODUSIK-HOTGVXAUSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500917 380320314 /nfs/dbraw/zinc/32/03/14/380320314.db2.gz HXLBEWFGVCTSKE-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1F ZINC000643500944 380320460 /nfs/dbraw/zinc/32/04/60/380320460.db2.gz KDZIWJJGHMSQRF-IUODEOHRSA-N 2 2 268.351 3.148 20 0 CGADLP Cc1cc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)ccc1F ZINC000643501505 380321914 /nfs/dbraw/zinc/32/19/14/380321914.db2.gz JFSYYXPWJIFEJV-DOTOQJQBSA-N 2 2 276.399 3.317 20 0 CGADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501441 380322479 /nfs/dbraw/zinc/32/24/79/380322479.db2.gz GTNSDCBIHNZTLJ-AWEZNQCLSA-N 2 2 278.399 3.488 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CCC2)o1 ZINC000643501486 380322767 /nfs/dbraw/zinc/32/27/67/380322767.db2.gz IUEOQWCXWNIWFD-ZBFHGGJFSA-N 2 2 262.397 3.161 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643503009 380326307 /nfs/dbraw/zinc/32/63/07/380326307.db2.gz YGBCRAZSSJJMIY-UONOGXRCSA-N 2 2 252.427 3.321 20 0 CGADLP c1ccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc2)cc1 ZINC000643506748 380328377 /nfs/dbraw/zinc/32/83/77/380328377.db2.gz HHKSHFRXVPOATO-LJQANCHMSA-N 2 2 280.415 3.312 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508881 380332680 /nfs/dbraw/zinc/33/26/80/380332680.db2.gz JYHUUHSJYZLCCC-ZBFHGGJFSA-N 2 2 274.433 3.359 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)n1-c1ccccc1 ZINC000414509361 380285178 /nfs/dbraw/zinc/28/51/78/380285178.db2.gz CGXUQZBHHHPMRR-FMKPAKJESA-N 2 2 299.418 3.084 20 0 CGADLP CC(C)c1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)on1 ZINC000643455263 380308007 /nfs/dbraw/zinc/30/80/07/380308007.db2.gz RALLMJQXBDDWEJ-ZIAGYGMSSA-N 2 2 279.428 3.198 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467558 380314742 /nfs/dbraw/zinc/31/47/42/380314742.db2.gz UHWATQSEDWKNQS-UHOFOFEASA-N 2 2 296.842 3.148 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccc(F)c(F)c2)c[nH+]1 ZINC000354212331 380366296 /nfs/dbraw/zinc/36/62/96/380366296.db2.gz PYTBEJLERYJQJZ-UHFFFAOYSA-N 2 2 276.330 3.391 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000414679843 380369230 /nfs/dbraw/zinc/36/92/30/380369230.db2.gz SDDPWAHIHNOMDA-ZDUSSCGKSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000414679843 380369238 /nfs/dbraw/zinc/36/92/38/380369238.db2.gz SDDPWAHIHNOMDA-ZDUSSCGKSA-N 2 2 252.427 3.273 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000414684559 380372410 /nfs/dbraw/zinc/37/24/10/380372410.db2.gz VXYGMJIKCQAPAO-KRWDZBQOSA-N 2 2 289.467 3.092 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000414684559 380372415 /nfs/dbraw/zinc/37/24/15/380372415.db2.gz VXYGMJIKCQAPAO-KRWDZBQOSA-N 2 2 289.467 3.092 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000414688926 380374033 /nfs/dbraw/zinc/37/40/33/380374033.db2.gz KDULDYJVBLBPEE-QZTJIDSGSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000414688926 380374040 /nfs/dbraw/zinc/37/40/40/380374040.db2.gz KDULDYJVBLBPEE-QZTJIDSGSA-N 2 2 290.451 3.041 20 0 CGADLP COc1cc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)ccc1SC ZINC000414689995 380374511 /nfs/dbraw/zinc/37/45/11/380374511.db2.gz HDUZXEHRASEUER-AWEZNQCLSA-N 2 2 296.480 3.222 20 0 CGADLP COc1cc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)ccc1SC ZINC000414689995 380374515 /nfs/dbraw/zinc/37/45/15/380374515.db2.gz HDUZXEHRASEUER-AWEZNQCLSA-N 2 2 296.480 3.222 20 0 CGADLP Cc1ccc(OC2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414693035 380377150 /nfs/dbraw/zinc/37/71/50/380377150.db2.gz BQNYVPMJFJBANP-INIZCTEOSA-N 2 2 290.451 3.212 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537670 380353660 /nfs/dbraw/zinc/35/36/60/380353660.db2.gz NYDFSZMREWQALH-AGIUHOORSA-N 2 2 276.355 3.092 20 0 CGADLP CCSc1cccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000414655855 380354299 /nfs/dbraw/zinc/35/42/99/380354299.db2.gz HRDASJQBILTMFA-HNNXBMFYSA-N 2 2 276.449 3.125 20 0 CGADLP CCSc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000414655855 380354306 /nfs/dbraw/zinc/35/43/06/380354306.db2.gz HRDASJQBILTMFA-HNNXBMFYSA-N 2 2 276.449 3.125 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccoc1 ZINC000643538618 380355942 /nfs/dbraw/zinc/35/59/42/380355942.db2.gz PPAJIAPMTLSOIQ-SOUVJXGZSA-N 2 2 268.376 3.047 20 0 CGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538300 380356047 /nfs/dbraw/zinc/35/60/47/380356047.db2.gz FJXGXLLZDSHLRJ-KBMXLJTQSA-N 2 2 294.414 3.216 20 0 CGADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414812813 380424184 /nfs/dbraw/zinc/42/41/84/380424184.db2.gz RXCDHSBTOZIEPR-UHFFFAOYSA-N 2 2 276.424 3.007 20 0 CGADLP Cc1ccc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414824084 380434486 /nfs/dbraw/zinc/43/44/86/380434486.db2.gz AACVMUVFCFIUKU-QGZVFWFLSA-N 2 2 254.377 3.093 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414829844 380438274 /nfs/dbraw/zinc/43/82/74/380438274.db2.gz NHTYWMYFQCBWEZ-UHFFFAOYSA-N 2 2 278.396 3.253 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1ccsc1Cl)C1CCCCC1 ZINC000414830023 380438697 /nfs/dbraw/zinc/43/86/97/380438697.db2.gz AHYQFSGKMNOMEN-GFCCVEGCSA-N 2 2 272.845 3.399 20 0 CGADLP CC(C)Cc1ncc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000414833737 380442715 /nfs/dbraw/zinc/44/27/15/380442715.db2.gz PZFBJADCOATPGR-HNNXBMFYSA-N 2 2 289.448 3.131 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)c[nH+]1 ZINC000354454230 380444260 /nfs/dbraw/zinc/44/42/60/380444260.db2.gz BOOGVMSZJCZJRC-QZTJIDSGSA-N 2 2 290.451 3.363 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414840861 380448619 /nfs/dbraw/zinc/44/86/19/380448619.db2.gz MQVMIKGOFIGKII-CQSZACIVSA-N 2 2 289.448 3.273 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414843634 380449697 /nfs/dbraw/zinc/44/96/97/380449697.db2.gz JWJXGQRVMFDLDG-UHFFFAOYSA-N 2 2 280.721 3.058 20 0 CGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(C)c1OC(F)F ZINC000414787534 380405299 /nfs/dbraw/zinc/40/52/99/380405299.db2.gz MERXJEWEKKNMJD-UHFFFAOYSA-N 2 2 298.377 3.218 20 0 CGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(C)c1OC(F)F ZINC000414787534 380405304 /nfs/dbraw/zinc/40/53/04/380405304.db2.gz MERXJEWEKKNMJD-UHFFFAOYSA-N 2 2 298.377 3.218 20 0 CGADLP COC[C@H](Cc1ccccc1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354482802 380455984 /nfs/dbraw/zinc/45/59/84/380455984.db2.gz UHRNSSOUDQWUJD-IBGZPJMESA-N 2 2 298.430 3.170 20 0 CGADLP Cc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354344725 380408101 /nfs/dbraw/zinc/40/81/01/380408101.db2.gz AGFNGTQCWDZWFX-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)c[nH+]1 ZINC000354353426 380409920 /nfs/dbraw/zinc/40/99/20/380409920.db2.gz UKVGIISXUVOQLB-IRXDYDNUSA-N 3 2 289.467 3.175 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414810338 380422415 /nfs/dbraw/zinc/42/24/15/380422415.db2.gz HWXQNQWZIUMILH-ZDUSSCGKSA-N 2 2 258.768 3.086 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Cl)c1 ZINC000414919863 380490196 /nfs/dbraw/zinc/49/01/96/380490196.db2.gz XXWKDUGRSAERGG-OAHLLOKOSA-N 2 2 284.806 3.267 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000414924530 380491640 /nfs/dbraw/zinc/49/16/40/380491640.db2.gz HJLTWMMSQZMOBX-GFCCVEGCSA-N 2 2 272.845 3.269 20 0 CGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414934244 380495272 /nfs/dbraw/zinc/49/52/72/380495272.db2.gz BGMNKPVQEOZKKG-DGCLKSJQSA-N 2 2 266.454 3.276 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414937506 380497826 /nfs/dbraw/zinc/49/78/26/380497826.db2.gz XSCDGWNLNZSQST-AWEZNQCLSA-N 2 2 298.377 3.156 20 0 CGADLP COC1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414947556 380502031 /nfs/dbraw/zinc/50/20/31/380502031.db2.gz WQZBXKCYPMFRLK-CTWPCTMYSA-N 2 2 298.430 3.387 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)c[nH+]1 ZINC000354648747 380513208 /nfs/dbraw/zinc/51/32/08/380513208.db2.gz AFHYUHKGTVGSQV-HNNXBMFYSA-N 2 2 276.424 3.258 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414862878 380463543 /nfs/dbraw/zinc/46/35/43/380463543.db2.gz BDZFKPOIZLNHDB-UHFFFAOYSA-N 2 2 299.418 3.272 20 0 CGADLP C[NH2+]Cc1ccccc1NCCCc1ccc(C)[nH+]c1 ZINC000414865891 380464894 /nfs/dbraw/zinc/46/48/94/380464894.db2.gz LFMDJZUUIQZGGC-UHFFFAOYSA-N 2 2 269.392 3.154 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000354547661 380481284 /nfs/dbraw/zinc/48/12/84/380481284.db2.gz TWMKOHGPKNNRIC-SJORKVTESA-N 2 2 276.424 3.116 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354553709 380483872 /nfs/dbraw/zinc/48/38/72/380483872.db2.gz VZUKIUVAMCQWLL-IBGZPJMESA-N 2 2 298.430 3.208 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171393 380609434 /nfs/dbraw/zinc/60/94/34/380609434.db2.gz WWROLDDNERRLTG-ZFWWWQNUSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355171393 380609447 /nfs/dbraw/zinc/60/94/47/380609447.db2.gz WWROLDDNERRLTG-ZFWWWQNUSA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417850576 380683725 /nfs/dbraw/zinc/68/37/25/380683725.db2.gz BVCYHQPWKAMELK-SZMVWBNQSA-N 2 2 272.436 3.254 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000418027306 380693576 /nfs/dbraw/zinc/69/35/76/380693576.db2.gz GGPNTAQBVNOALP-WDSOQIARSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000418027306 380693579 /nfs/dbraw/zinc/69/35/79/380693579.db2.gz GGPNTAQBVNOALP-WDSOQIARSA-N 2 2 284.447 3.397 20 0 CGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645793716 380734552 /nfs/dbraw/zinc/73/45/52/380734552.db2.gz MMQNJAPRGMQOOY-CYBMUJFWSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645793716 380734554 /nfs/dbraw/zinc/73/45/54/380734554.db2.gz MMQNJAPRGMQOOY-CYBMUJFWSA-N 2 2 291.345 3.041 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2ccccc2o1 ZINC000419299868 380797653 /nfs/dbraw/zinc/79/76/53/380797653.db2.gz ZSOXETCMEUOSJX-ZDUSSCGKSA-N 2 2 299.418 3.495 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000356667984 380817066 /nfs/dbraw/zinc/81/70/66/380817066.db2.gz BWCQOPCBEVIWSV-AWEZNQCLSA-N 2 2 278.359 3.118 20 0 CGADLP CC(C)c1cc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356794797 380876541 /nfs/dbraw/zinc/87/65/41/380876541.db2.gz OWVXUVXXAPYAPD-UONOGXRCSA-N 2 2 290.455 3.252 20 0 CGADLP CC(C)c1cc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356794797 380876553 /nfs/dbraw/zinc/87/65/53/380876553.db2.gz OWVXUVXXAPYAPD-UONOGXRCSA-N 2 2 290.455 3.252 20 0 CGADLP C[C@H]([NH3+])C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000420319357 380849088 /nfs/dbraw/zinc/84/90/88/380849088.db2.gz PHWTVCZDIXUIMI-ZDUSSCGKSA-N 2 2 254.377 3.151 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000420319357 380849095 /nfs/dbraw/zinc/84/90/95/380849095.db2.gz PHWTVCZDIXUIMI-ZDUSSCGKSA-N 2 2 254.377 3.151 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@@H+]1C ZINC000421340228 380881901 /nfs/dbraw/zinc/88/19/01/380881901.db2.gz HVDLQTFAYMPEFX-CXAGYDPISA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C3CC3)c2)CCC[N@H+]1C ZINC000421340228 380881903 /nfs/dbraw/zinc/88/19/03/380881903.db2.gz HVDLQTFAYMPEFX-CXAGYDPISA-N 2 2 258.409 3.136 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000357209189 381067841 /nfs/dbraw/zinc/06/78/41/381067841.db2.gz AGMLHWJHAXCMMV-LBPRGKRZSA-N 2 2 293.798 3.121 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000357209189 381067849 /nfs/dbraw/zinc/06/78/49/381067849.db2.gz AGMLHWJHAXCMMV-LBPRGKRZSA-N 2 2 293.798 3.121 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359072227 381335850 /nfs/dbraw/zinc/33/58/50/381335850.db2.gz MTAYNHUAKWGDCR-FJIDUMEYSA-N 2 2 294.483 3.068 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000359072227 381335856 /nfs/dbraw/zinc/33/58/56/381335856.db2.gz MTAYNHUAKWGDCR-FJIDUMEYSA-N 2 2 294.483 3.068 20 0 CGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000360079803 381438350 /nfs/dbraw/zinc/43/83/50/381438350.db2.gz PYYDLVJBENSFBH-GOEBONIOSA-N 2 2 299.418 3.428 20 0 CGADLP C[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000360619138 381596653 /nfs/dbraw/zinc/59/66/53/381596653.db2.gz LAAMGIKWLIQMKQ-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000360619138 381596655 /nfs/dbraw/zinc/59/66/55/381596655.db2.gz LAAMGIKWLIQMKQ-OAHLLOKOSA-N 2 2 269.392 3.494 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346501 381709065 /nfs/dbraw/zinc/70/90/65/381709065.db2.gz OXULIUCVDGWIDJ-AAEUAGOBSA-N 2 2 281.469 3.005 20 0 CGADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)nc1C(C)C ZINC000361346501 381709070 /nfs/dbraw/zinc/70/90/70/381709070.db2.gz OXULIUCVDGWIDJ-AAEUAGOBSA-N 2 2 281.469 3.005 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](C)OC ZINC000361573776 381812457 /nfs/dbraw/zinc/81/24/57/381812457.db2.gz OAWFLZJQMBLLIK-OAHLLOKOSA-N 2 2 287.407 3.038 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](C)OC ZINC000361573776 381812465 /nfs/dbraw/zinc/81/24/65/381812465.db2.gz OAWFLZJQMBLLIK-OAHLLOKOSA-N 2 2 287.407 3.038 20 0 CGADLP c1ccc(NCCC[NH2+]C2CCC3(CC3)CC2)[nH+]c1 ZINC000362928167 382152816 /nfs/dbraw/zinc/15/28/16/382152816.db2.gz PKSYDBGNXUOYHT-UHFFFAOYSA-N 2 2 259.397 3.196 20 0 CGADLP c1[nH]c(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)c[nH+]1 ZINC000363460064 382225204 /nfs/dbraw/zinc/22/52/04/382225204.db2.gz WKGDRNBGSCYIMQ-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370060772 382413264 /nfs/dbraw/zinc/41/32/64/382413264.db2.gz QJTPTYZLEJKXSP-MRLCAUJQSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000370060772 382413266 /nfs/dbraw/zinc/41/32/66/382413266.db2.gz QJTPTYZLEJKXSP-MRLCAUJQSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251724086 542347780 /nfs/dbraw/zinc/34/77/80/542347780.db2.gz KCJBJEYBXXBJKX-GXTWGEPZSA-N 2 2 286.341 3.265 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251724086 542347781 /nfs/dbraw/zinc/34/77/81/542347781.db2.gz KCJBJEYBXXBJKX-GXTWGEPZSA-N 2 2 286.341 3.265 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250644172 542343642 /nfs/dbraw/zinc/34/36/42/542343642.db2.gz UTCUONSLKCDFLO-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000250644172 542343645 /nfs/dbraw/zinc/34/36/45/542343645.db2.gz UTCUONSLKCDFLO-RDJZCZTQSA-N 2 2 258.409 3.138 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000252419021 542349436 /nfs/dbraw/zinc/34/94/36/542349436.db2.gz XTYJCRBIIPQGFJ-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000252419021 542349437 /nfs/dbraw/zinc/34/94/37/542349437.db2.gz XTYJCRBIIPQGFJ-CZUORRHYSA-N 2 2 296.817 3.443 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340224653 285029916 /nfs/dbraw/zinc/02/99/16/285029916.db2.gz DXWFVNSAVODJSM-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC12CCCC2 ZINC000340224653 285029917 /nfs/dbraw/zinc/02/99/17/285029917.db2.gz DXWFVNSAVODJSM-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349135799 218812392 /nfs/dbraw/zinc/81/23/92/218812392.db2.gz YUDQAAPEBQNXQE-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000349135799 218812394 /nfs/dbraw/zinc/81/23/94/218812394.db2.gz YUDQAAPEBQNXQE-OAGGEKHMSA-N 2 2 275.440 3.426 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@H]2CC3CCC2CC3)[nH+]1 ZINC000353813699 220344746 /nfs/dbraw/zinc/34/47/46/220344746.db2.gz YYYNDDDBYMRVKS-PIMMBPRGSA-N 2 2 255.365 3.003 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000353832005 220354560 /nfs/dbraw/zinc/35/45/60/220354560.db2.gz WSOGSCOUQUUPPC-BDVYOWHSSA-N 2 2 258.409 3.491 20 0 CGADLP Cc1ccc(CCCNc2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000353819619 220348186 /nfs/dbraw/zinc/34/81/86/220348186.db2.gz XELJMROYIYTFRC-UHFFFAOYSA-N 2 2 283.419 3.496 20 0 CGADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000353852804 220367478 /nfs/dbraw/zinc/36/74/78/220367478.db2.gz DIUAHMFNEFVZRU-GFCCVEGCSA-N 2 2 298.377 3.375 20 0 CGADLP COc1cnccc1[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354936645 533140528 /nfs/dbraw/zinc/14/05/28/533140528.db2.gz YMYBVSZUPLQSJV-CQSZACIVSA-N 2 2 285.391 3.077 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337416343 285200171 /nfs/dbraw/zinc/20/01/71/285200171.db2.gz ZLVFNFXQTVFWHP-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337416343 285200173 /nfs/dbraw/zinc/20/01/73/285200173.db2.gz ZLVFNFXQTVFWHP-ZJIFWQFVSA-N 2 2 250.430 3.029 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000354351694 220692579 /nfs/dbraw/zinc/69/25/79/220692579.db2.gz MWJVTGQIJSNLTJ-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000424311041 533173975 /nfs/dbraw/zinc/17/39/75/533173975.db2.gz KGDFEFZNEDXNLF-FRRDWIJNSA-N 2 2 296.842 3.482 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000424311041 533173978 /nfs/dbraw/zinc/17/39/78/533173978.db2.gz KGDFEFZNEDXNLF-FRRDWIJNSA-N 2 2 296.842 3.482 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000281387753 195220200 /nfs/dbraw/zinc/22/02/00/195220200.db2.gz XRMNDURITWYOLT-SJORKVTESA-N 2 2 298.434 3.293 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281470910 195254045 /nfs/dbraw/zinc/25/40/45/195254045.db2.gz FFDZPQVXUARIHO-KRWDZBQOSA-N 2 2 285.366 3.208 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000247883506 285289241 /nfs/dbraw/zinc/28/92/41/285289241.db2.gz CJOLCSBHQSKKEO-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000247883506 285289243 /nfs/dbraw/zinc/28/92/43/285289243.db2.gz CJOLCSBHQSKKEO-RDJZCZTQSA-N 2 2 288.435 3.283 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(C)cs1 ZINC000339067688 542485972 /nfs/dbraw/zinc/48/59/72/542485972.db2.gz KOLHROYVKSMWKG-IHRRRGAJSA-N 2 2 279.453 3.119 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(C)cs1 ZINC000339067688 542485977 /nfs/dbraw/zinc/48/59/77/542485977.db2.gz KOLHROYVKSMWKG-IHRRRGAJSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439738 542500302 /nfs/dbraw/zinc/50/03/02/542500302.db2.gz FWYZNSCDUCMMNO-HRCADAONSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccnn1-c1ccccc1 ZINC000343439738 542500308 /nfs/dbraw/zinc/50/03/08/542500308.db2.gz FWYZNSCDUCMMNO-HRCADAONSA-N 2 2 298.434 3.006 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000348106991 542514725 /nfs/dbraw/zinc/51/47/25/542514725.db2.gz QAXDIFQZSXULHU-MSOLQXFVSA-N 2 2 281.403 3.210 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000348120041 542516375 /nfs/dbraw/zinc/51/63/75/542516375.db2.gz HSQATZGTSBHNQF-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000348120041 542516377 /nfs/dbraw/zinc/51/63/77/542516377.db2.gz HSQATZGTSBHNQF-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP COCC[C@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000282427543 195605933 /nfs/dbraw/zinc/60/59/33/195605933.db2.gz YWJHSBJZSCLWNU-HZPDHXFCSA-N 2 2 291.439 3.069 20 0 CGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000423443815 533236511 /nfs/dbraw/zinc/23/65/11/533236511.db2.gz XLNMIONQVWRAGJ-CRAIPNDOSA-N 2 2 290.451 3.229 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(Cl)ccc1Cl ZINC000423287861 533352058 /nfs/dbraw/zinc/35/20/58/533352058.db2.gz OYXFUDSNVQTQPM-MRVPVSSYSA-N 2 2 261.196 3.381 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)COC2 ZINC000423377801 533423941 /nfs/dbraw/zinc/42/39/41/533423941.db2.gz FLVVVOUFSLMVQK-DYVFJYSZSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)c(F)c1 ZINC000367367869 533467817 /nfs/dbraw/zinc/46/78/17/533467817.db2.gz OFCSGZVBKGXFKX-LLVKDONJSA-N 2 2 291.345 3.348 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000358165686 533497104 /nfs/dbraw/zinc/49/71/04/533497104.db2.gz KIPMEAMNAYOJIW-UONOGXRCSA-N 2 2 296.842 3.101 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1csc(Cl)c1 ZINC000424380778 533519563 /nfs/dbraw/zinc/51/95/63/533519563.db2.gz XSOTUHFJKBDEBM-FBIMIBRVSA-N 2 2 258.818 3.322 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1OC(F)F ZINC000423535150 533537173 /nfs/dbraw/zinc/53/71/73/533537173.db2.gz XCQWASCQPQMRNP-BXUZGUMPSA-N 2 2 298.377 3.456 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100928 533654292 /nfs/dbraw/zinc/65/42/92/533654292.db2.gz JDVQQJLGLAGOND-SWLSCSKDSA-N 2 2 287.382 3.017 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000449045582 533654322 /nfs/dbraw/zinc/65/43/22/533654322.db2.gz ICJVDYQXUAAEIO-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100928 533654296 /nfs/dbraw/zinc/65/42/96/533654296.db2.gz JDVQQJLGLAGOND-SWLSCSKDSA-N 2 2 287.382 3.017 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000449045582 533654332 /nfs/dbraw/zinc/65/43/32/533654332.db2.gz ICJVDYQXUAAEIO-KRWDZBQOSA-N 2 2 298.386 3.052 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389314618 542608728 /nfs/dbraw/zinc/60/87/28/542608728.db2.gz GKYFWWMCRHGDNK-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389314618 542608729 /nfs/dbraw/zinc/60/87/29/542608729.db2.gz GKYFWWMCRHGDNK-OCCSQVGLSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078229 130179965 /nfs/dbraw/zinc/17/99/65/130179965.db2.gz KFOKMKDPRHJTIP-ZQIUZPCESA-N 2 2 285.391 3.090 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000393285595 542612099 /nfs/dbraw/zinc/61/20/99/542612099.db2.gz OWKRTZGPIMNWCZ-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000393285595 542612101 /nfs/dbraw/zinc/61/21/01/542612101.db2.gz OWKRTZGPIMNWCZ-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1OC ZINC000037213782 391980155 /nfs/dbraw/zinc/98/01/55/391980155.db2.gz JBHVFKULUDFTKY-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1OC ZINC000037213782 391980160 /nfs/dbraw/zinc/98/01/60/391980160.db2.gz JBHVFKULUDFTKY-GOEBONIOSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@@H](CC[N@H+](C)Cc1ccoc1)[NH+](C)Cc1ccoc1 ZINC000431603429 542652918 /nfs/dbraw/zinc/65/29/18/542652918.db2.gz JCGVAAPDEFAIKY-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[N@@H+](C)Cc1ccoc1)[NH+](C)Cc1ccoc1 ZINC000431603429 542652921 /nfs/dbraw/zinc/65/29/21/542652921.db2.gz JCGVAAPDEFAIKY-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[NH+](C)Cc1ccoc1)[N@H+](C)Cc1ccoc1 ZINC000431603429 542652924 /nfs/dbraw/zinc/65/29/24/542652924.db2.gz JCGVAAPDEFAIKY-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP C[C@@H](CC[NH+](C)Cc1ccoc1)[N@@H+](C)Cc1ccoc1 ZINC000431603429 542652926 /nfs/dbraw/zinc/65/29/26/542652926.db2.gz JCGVAAPDEFAIKY-AWEZNQCLSA-N 2 2 276.380 3.215 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361407869 392281500 /nfs/dbraw/zinc/28/15/00/392281500.db2.gz IAVGSNULLYCNBE-SFHVURJKSA-N 2 2 299.418 3.180 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361407869 392281507 /nfs/dbraw/zinc/28/15/07/392281507.db2.gz IAVGSNULLYCNBE-SFHVURJKSA-N 2 2 299.418 3.180 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107775392 392328843 /nfs/dbraw/zinc/32/88/43/392328843.db2.gz FEFIHCWYAQPSHQ-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107775392 392328850 /nfs/dbraw/zinc/32/88/50/392328850.db2.gz FEFIHCWYAQPSHQ-HUUCEWRRSA-N 2 2 294.826 3.065 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000361826372 392335997 /nfs/dbraw/zinc/33/59/97/392335997.db2.gz WPEHJLWGZKHHKT-UKRRQHHQSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000361826372 392336003 /nfs/dbraw/zinc/33/60/03/392336003.db2.gz WPEHJLWGZKHHKT-UKRRQHHQSA-N 2 2 269.392 3.411 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1CCCC1)CCC2 ZINC000366207490 392451462 /nfs/dbraw/zinc/45/14/62/392451462.db2.gz BTMFBDDCCUIOII-UKRRQHHQSA-N 2 2 261.413 3.237 20 0 CGADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000120130239 392398212 /nfs/dbraw/zinc/39/82/12/392398212.db2.gz VSSLISJPYZPADA-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1)C1CCCC1 ZINC000120130239 392398216 /nfs/dbraw/zinc/39/82/16/392398216.db2.gz VSSLISJPYZPADA-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@H]2C2CC2)[nH+]1 ZINC000291639554 392474861 /nfs/dbraw/zinc/47/48/61/392474861.db2.gz SZBWZGCSHBIFPU-MRXNPFEDSA-N 2 2 267.376 3.099 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367435513 392476146 /nfs/dbraw/zinc/47/61/46/392476146.db2.gz BYSJKTVFYGOJBT-QGZVFWFLSA-N 2 2 281.403 3.305 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccccc1 ZINC000368102004 392486431 /nfs/dbraw/zinc/48/64/31/392486431.db2.gz MHZQYHAMFVJPHD-IPYPFGDCSA-N 2 2 269.392 3.049 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C)c1ccccc1 ZINC000368102004 392486435 /nfs/dbraw/zinc/48/64/35/392486435.db2.gz MHZQYHAMFVJPHD-IPYPFGDCSA-N 2 2 269.392 3.049 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970370 392572260 /nfs/dbraw/zinc/57/22/60/392572260.db2.gz XENYZEYEQVUWEY-CJNGLKHVSA-N 2 2 287.407 3.337 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000297970370 392572264 /nfs/dbraw/zinc/57/22/64/392572264.db2.gz XENYZEYEQVUWEY-CJNGLKHVSA-N 2 2 287.407 3.337 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000300413287 392582882 /nfs/dbraw/zinc/58/28/82/392582882.db2.gz ZVKFZSNHTNMZEJ-APIJFGDWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000300413287 392582884 /nfs/dbraw/zinc/58/28/84/392582884.db2.gz ZVKFZSNHTNMZEJ-APIJFGDWSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330154 392674978 /nfs/dbraw/zinc/67/49/78/392674978.db2.gz DKUNCIXBUCIHEQ-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330154 392674981 /nfs/dbraw/zinc/67/49/81/392674981.db2.gz DKUNCIXBUCIHEQ-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000647332818 392678666 /nfs/dbraw/zinc/67/86/66/392678666.db2.gz FPRDGRGMBUFPNJ-UHFFFAOYSA-N 2 2 288.410 3.421 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(F)(F)CC1 ZINC000647282124 392634023 /nfs/dbraw/zinc/63/40/23/392634023.db2.gz AKZRAQJMPNFPBK-GFCCVEGCSA-N 2 2 260.372 3.028 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553708 392767402 /nfs/dbraw/zinc/76/74/02/392767402.db2.gz HWUZFDBMBNXYKW-QGZVFWFLSA-N 2 2 288.435 3.238 20 0 CGADLP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000647488780 392739251 /nfs/dbraw/zinc/73/92/51/392739251.db2.gz SOMXYABJJGMNRO-UONOGXRCSA-N 2 2 291.464 3.127 20 0 CGADLP c1nc(C2CC2)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000647488780 392739257 /nfs/dbraw/zinc/73/92/57/392739257.db2.gz SOMXYABJJGMNRO-UONOGXRCSA-N 2 2 291.464 3.127 20 0 CGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851860 392749372 /nfs/dbraw/zinc/74/93/72/392749372.db2.gz XNTYZHICEHIYHH-LZWOXQAQSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[NH+](C)C ZINC000182851860 392749376 /nfs/dbraw/zinc/74/93/76/392749376.db2.gz XNTYZHICEHIYHH-LZWOXQAQSA-N 2 2 275.440 3.202 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)s1 ZINC000334760409 392749933 /nfs/dbraw/zinc/74/99/33/392749933.db2.gz DLVNUWTXSPNJLE-IUCAKERBSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)s1 ZINC000334760409 392749940 /nfs/dbraw/zinc/74/99/40/392749940.db2.gz DLVNUWTXSPNJLE-IUCAKERBSA-N 2 2 281.812 3.333 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCOCC2)[C@H]1C ZINC000334800033 392752055 /nfs/dbraw/zinc/75/20/55/392752055.db2.gz RAKZAMICTLFXCF-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC2(CCOCC2)[C@H]1C ZINC000334800033 392752061 /nfs/dbraw/zinc/75/20/61/392752061.db2.gz RAKZAMICTLFXCF-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334800033 392752066 /nfs/dbraw/zinc/75/20/66/392752066.db2.gz RAKZAMICTLFXCF-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334800033 392752072 /nfs/dbraw/zinc/75/20/72/392752072.db2.gz RAKZAMICTLFXCF-IAGOWNOFSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccn1 ZINC000375266079 392756141 /nfs/dbraw/zinc/75/61/41/392756141.db2.gz DLNADTDCFJDKOL-KRWDZBQOSA-N 2 2 298.434 3.491 20 0 CGADLP Fc1ccc(/C=C\C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000647553550 392765497 /nfs/dbraw/zinc/76/54/97/392765497.db2.gz CPKXNGNVCJRVQG-QGZUEGPWSA-N 2 2 292.373 3.242 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[NH+]1CCCC1)CC3 ZINC000180003822 392705928 /nfs/dbraw/zinc/70/59/28/392705928.db2.gz KAMFMJPSVLNMQY-OAHLLOKOSA-N 2 2 297.446 3.019 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000375507196 392787598 /nfs/dbraw/zinc/78/75/98/392787598.db2.gz GITIMNQVAUUNPJ-QGZVFWFLSA-N 2 2 298.434 3.066 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000375507196 392787604 /nfs/dbraw/zinc/78/76/04/392787604.db2.gz GITIMNQVAUUNPJ-QGZVFWFLSA-N 2 2 298.434 3.066 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(OC)c1 ZINC000194062060 392898610 /nfs/dbraw/zinc/89/86/10/392898610.db2.gz LEMPXAIUWHGAND-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(OC)c1 ZINC000194062060 392898615 /nfs/dbraw/zinc/89/86/15/392898615.db2.gz LEMPXAIUWHGAND-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(OC)c1 ZINC000194062060 392898617 /nfs/dbraw/zinc/89/86/17/392898617.db2.gz LEMPXAIUWHGAND-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(OC)c1 ZINC000194062060 392898620 /nfs/dbraw/zinc/89/86/20/392898620.db2.gz LEMPXAIUWHGAND-SJORKVTESA-N 2 2 288.435 3.062 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000376043420 392857582 /nfs/dbraw/zinc/85/75/82/392857582.db2.gz PWLJYSWCPVTFCK-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000376043420 392857588 /nfs/dbraw/zinc/85/75/88/392857588.db2.gz PWLJYSWCPVTFCK-MRXNPFEDSA-N 2 2 299.418 3.198 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000381969383 392916784 /nfs/dbraw/zinc/91/67/84/392916784.db2.gz VMZYXXAZABPNSO-VXLLPVPCSA-N 2 2 275.440 3.468 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210755 392968736 /nfs/dbraw/zinc/96/87/36/392968736.db2.gz ZFBNHLNXXYUBED-SJLPKXTDSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210755 392968739 /nfs/dbraw/zinc/96/87/39/392968739.db2.gz ZFBNHLNXXYUBED-SJLPKXTDSA-N 2 2 299.418 3.217 20 0 CGADLP Cc1occc1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406135617 392969609 /nfs/dbraw/zinc/96/96/09/392969609.db2.gz ZVSMSTZWUPOIIS-SFHVURJKSA-N 2 2 284.403 3.342 20 0 CGADLP Cc1occc1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406135617 392969615 /nfs/dbraw/zinc/96/96/15/392969615.db2.gz ZVSMSTZWUPOIIS-SFHVURJKSA-N 2 2 284.403 3.342 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219799400 393002680 /nfs/dbraw/zinc/00/26/80/393002680.db2.gz WESSWKHYGRKNNI-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219799400 393002687 /nfs/dbraw/zinc/00/26/87/393002687.db2.gz WESSWKHYGRKNNI-SWLSCSKDSA-N 2 2 272.417 3.085 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccsc2S1 ZINC000222695442 393009529 /nfs/dbraw/zinc/00/95/29/393009529.db2.gz TZPZHZMDUNXHPA-GMXVVIOVSA-N 2 2 282.478 3.357 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccsc2S1 ZINC000222695442 393009531 /nfs/dbraw/zinc/00/95/31/393009531.db2.gz TZPZHZMDUNXHPA-GMXVVIOVSA-N 2 2 282.478 3.357 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000648432381 393014251 /nfs/dbraw/zinc/01/42/51/393014251.db2.gz ASCWPYXOPCSLNK-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc2ccccc2cc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000648432381 393014255 /nfs/dbraw/zinc/01/42/55/393014255.db2.gz ASCWPYXOPCSLNK-KRWDZBQOSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000466383840 393025739 /nfs/dbraw/zinc/02/57/39/393025739.db2.gz PDYZPSGZQDUNJY-VQHPVUNQSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000466383840 393025742 /nfs/dbraw/zinc/02/57/42/393025742.db2.gz PDYZPSGZQDUNJY-VQHPVUNQSA-N 2 2 284.447 3.456 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC[C@H]3C)n2c1 ZINC000466413768 393028942 /nfs/dbraw/zinc/02/89/42/393028942.db2.gz KWDBHAHHULZHTF-ZIAGYGMSSA-N 2 2 257.381 3.169 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804896 393094051 /nfs/dbraw/zinc/09/40/51/393094051.db2.gz YQGYLGRDNQFOJP-DAYGRLMNSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000346804896 393094057 /nfs/dbraw/zinc/09/40/57/393094057.db2.gz YQGYLGRDNQFOJP-DAYGRLMNSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c(C)s1 ZINC000346789952 393094120 /nfs/dbraw/zinc/09/41/20/393094120.db2.gz FHWZCKRMXDSLOX-HUBLWGQQSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c(C)s1 ZINC000346789952 393094130 /nfs/dbraw/zinc/09/41/30/393094130.db2.gz FHWZCKRMXDSLOX-HUBLWGQQSA-N 2 2 266.454 3.498 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)CCC2 ZINC000346798523 393094202 /nfs/dbraw/zinc/09/42/02/393094202.db2.gz UXGILOBOJOTWND-JCGIZDLHSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)CCC2 ZINC000346798523 393094210 /nfs/dbraw/zinc/09/42/10/393094210.db2.gz UXGILOBOJOTWND-JCGIZDLHSA-N 2 2 272.436 3.445 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415014945 393096789 /nfs/dbraw/zinc/09/67/89/393096789.db2.gz MMXMMFBAIWMKJN-SFYZADRCSA-N 2 2 280.721 3.184 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC000347350611 393102857 /nfs/dbraw/zinc/10/28/57/393102857.db2.gz WZTNKVARARQZAW-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C)CC1 ZINC000347350611 393102864 /nfs/dbraw/zinc/10/28/64/393102864.db2.gz WZTNKVARARQZAW-XGHPGWEVSA-N 2 2 264.457 3.371 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000648500338 393068385 /nfs/dbraw/zinc/06/83/85/393068385.db2.gz XVRBKTYOULIATQ-IRXDYDNUSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c(OC(F)F)cc1C ZINC000414965174 393069530 /nfs/dbraw/zinc/06/95/30/393069530.db2.gz ZHDSHOIAYWVZTH-JSGCOSHPSA-N 2 2 298.377 3.135 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000414982260 393078990 /nfs/dbraw/zinc/07/89/90/393078990.db2.gz CNOJBPNHPVIFJG-QGZVFWFLSA-N 2 2 298.430 3.498 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415050405 393112465 /nfs/dbraw/zinc/11/24/65/393112465.db2.gz CIOJASWHVATAJQ-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000415049553 393112551 /nfs/dbraw/zinc/11/25/51/393112551.db2.gz HPLSRUUBKMRQOY-GFCCVEGCSA-N 2 2 295.477 3.335 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)o1 ZINC000415064037 393124825 /nfs/dbraw/zinc/12/48/25/393124825.db2.gz BMJDBOKESNGRTH-ZDUSSCGKSA-N 2 2 288.366 3.317 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000415068935 393126652 /nfs/dbraw/zinc/12/66/52/393126652.db2.gz RVTJNMLIYDKXGL-LBPRGKRZSA-N 2 2 281.469 3.048 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000415072026 393130443 /nfs/dbraw/zinc/13/04/43/393130443.db2.gz XKRWNUZJNWJBAE-QGZVFWFLSA-N 2 2 290.357 3.317 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)c1c(Cl)cccc1Cl ZINC000415079858 393133970 /nfs/dbraw/zinc/13/39/70/393133970.db2.gz IQDFFQPKAMIUOM-GHMZBOCLSA-N 2 2 287.234 3.439 20 0 CGADLP Cc1ccsc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415115876 393149445 /nfs/dbraw/zinc/14/94/45/393149445.db2.gz ALLGSYNPOCKKIR-LSDHHAIUSA-N 2 2 290.407 3.122 20 0 CGADLP Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415115876 393149449 /nfs/dbraw/zinc/14/94/49/393149449.db2.gz ALLGSYNPOCKKIR-LSDHHAIUSA-N 2 2 290.407 3.122 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000354304264 393243597 /nfs/dbraw/zinc/24/35/97/393243597.db2.gz MLCMGBVARGFRFJ-HLPPOEQASA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000354304264 393243601 /nfs/dbraw/zinc/24/36/01/393243601.db2.gz MLCMGBVARGFRFJ-HLPPOEQASA-N 2 2 252.446 3.274 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000352683855 393206396 /nfs/dbraw/zinc/20/63/96/393206396.db2.gz LSLOSSJFFNJVBI-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000352683855 393206405 /nfs/dbraw/zinc/20/64/05/393206405.db2.gz LSLOSSJFFNJVBI-KEYYUXOJSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1cc(N(C)CCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000268972123 393212300 /nfs/dbraw/zinc/21/23/00/393212300.db2.gz OOOMSVKNOFCFMV-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000469794475 393216738 /nfs/dbraw/zinc/21/67/38/393216738.db2.gz RFTDGXQBPVYHHX-MAUKXSAKSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2c1C ZINC000472076930 393331655 /nfs/dbraw/zinc/33/16/55/393331655.db2.gz UFRSDJXHPWCEDJ-BBRMVZONSA-N 2 2 297.446 3.500 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2c1C ZINC000472076930 393331658 /nfs/dbraw/zinc/33/16/58/393331658.db2.gz UFRSDJXHPWCEDJ-BBRMVZONSA-N 2 2 297.446 3.500 20 0 CGADLP Clc1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000649287296 393392673 /nfs/dbraw/zinc/39/26/73/393392673.db2.gz FAAXMITZFZEUOH-INIZCTEOSA-N 2 2 289.810 3.416 20 0 CGADLP Clc1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000649287296 393392674 /nfs/dbraw/zinc/39/26/74/393392674.db2.gz FAAXMITZFZEUOH-INIZCTEOSA-N 2 2 289.810 3.416 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475338558 393394518 /nfs/dbraw/zinc/39/45/18/393394518.db2.gz ZHMUVAAMZGHVTO-IRWJRLHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000475338558 393394522 /nfs/dbraw/zinc/39/45/22/393394522.db2.gz ZHMUVAAMZGHVTO-IRWJRLHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)F ZINC000647226857 393398415 /nfs/dbraw/zinc/39/84/15/393398415.db2.gz ZKFXQKWNCDJJLD-SNVBAGLBSA-N 2 2 285.363 3.315 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000279773382 393336112 /nfs/dbraw/zinc/33/61/12/393336112.db2.gz SNOASYXTYKNOHY-FZCLSBEQSA-N 2 2 290.451 3.081 20 0 CGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000279773382 393336118 /nfs/dbraw/zinc/33/61/18/393336118.db2.gz SNOASYXTYKNOHY-FZCLSBEQSA-N 2 2 290.451 3.081 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2c(F)cccc2CC)CC1 ZINC000474883700 393354425 /nfs/dbraw/zinc/35/44/25/393354425.db2.gz XGRKQXMSNSRFII-UHFFFAOYSA-N 2 2 278.415 3.352 20 0 CGADLP c1ccc2sc(C[N@H+](C3CC3)C3CC[NH2+]CC3)nc2c1 ZINC000649408964 393414202 /nfs/dbraw/zinc/41/42/02/393414202.db2.gz OGYQAZSTBHXSPN-UHFFFAOYSA-N 2 2 287.432 3.013 20 0 CGADLP c1ccc2sc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)nc2c1 ZINC000649408964 393414207 /nfs/dbraw/zinc/41/42/07/393414207.db2.gz OGYQAZSTBHXSPN-UHFFFAOYSA-N 2 2 287.432 3.013 20 0 CGADLP CSC1(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)CCC1 ZINC000356303290 393415678 /nfs/dbraw/zinc/41/56/78/393415678.db2.gz NWORQOALHRIBME-UHFFFAOYSA-N 2 2 288.420 3.024 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000420381515 393480561 /nfs/dbraw/zinc/48/05/61/393480561.db2.gz XMENOUZMRWIFMM-LBPRGKRZSA-N 2 2 278.293 3.018 20 0 CGADLP CC1CC[NH+](CCOc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000649437617 393429021 /nfs/dbraw/zinc/42/90/21/393429021.db2.gz YBZFZCNXGHVXSJ-UHFFFAOYSA-N 2 2 285.391 3.187 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000420283586 393449909 /nfs/dbraw/zinc/44/99/09/393449909.db2.gz CFAFJBHWTBPFLZ-IUODEOHRSA-N 2 2 296.842 3.296 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000420283586 393449916 /nfs/dbraw/zinc/44/99/16/393449916.db2.gz CFAFJBHWTBPFLZ-IUODEOHRSA-N 2 2 296.842 3.296 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000487303815 393451447 /nfs/dbraw/zinc/45/14/47/393451447.db2.gz AESDYRSFYRUWPQ-INMHGKMJSA-N 2 2 290.476 3.165 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000487303815 393451448 /nfs/dbraw/zinc/45/14/48/393451448.db2.gz AESDYRSFYRUWPQ-INMHGKMJSA-N 2 2 290.476 3.165 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420393274 393483254 /nfs/dbraw/zinc/48/32/54/393483254.db2.gz BZBNAXIQPIMNQL-ZIAGYGMSSA-N 2 2 295.496 3.148 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420393274 393483260 /nfs/dbraw/zinc/48/32/60/393483260.db2.gz BZBNAXIQPIMNQL-ZIAGYGMSSA-N 2 2 295.496 3.148 20 0 CGADLP Cc1ccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000420335461 393470328 /nfs/dbraw/zinc/47/03/28/393470328.db2.gz HNZISCRWHKQZCG-DOTOQJQBSA-N 2 2 290.476 3.079 20 0 CGADLP Cc1ccc(SCC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000420335461 393470336 /nfs/dbraw/zinc/47/03/36/393470336.db2.gz HNZISCRWHKQZCG-DOTOQJQBSA-N 2 2 290.476 3.079 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364221 393475165 /nfs/dbraw/zinc/47/51/65/393475165.db2.gz IKGUSJUMEZUOOD-SJORKVTESA-N 2 2 294.389 3.491 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364221 393475172 /nfs/dbraw/zinc/47/51/72/393475172.db2.gz IKGUSJUMEZUOOD-SJORKVTESA-N 2 2 294.389 3.491 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420362407 393475628 /nfs/dbraw/zinc/47/56/28/393475628.db2.gz NFBSFKNHGIBSSQ-MRXNPFEDSA-N 2 2 299.418 3.128 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1C ZINC000488348815 393493243 /nfs/dbraw/zinc/49/32/43/393493243.db2.gz CWKQGJZCNZZNKV-IMJJTQAJSA-N 2 2 283.419 3.465 20 0 CGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1C ZINC000488348815 393493245 /nfs/dbraw/zinc/49/32/45/393493245.db2.gz CWKQGJZCNZZNKV-IMJJTQAJSA-N 2 2 283.419 3.465 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CS1 ZINC000488422338 393507304 /nfs/dbraw/zinc/50/73/04/393507304.db2.gz OYKGCLMCAWITQA-IRXDYDNUSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CS1 ZINC000488422338 393507309 /nfs/dbraw/zinc/50/73/09/393507309.db2.gz OYKGCLMCAWITQA-IRXDYDNUSA-N 2 2 292.492 3.238 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)[NH+]1CCCC1 ZINC000488428303 393509438 /nfs/dbraw/zinc/50/94/38/393509438.db2.gz ATICWZCYDHJOPN-RBSFLKMASA-N 2 2 284.513 3.371 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430556667 393574603 /nfs/dbraw/zinc/57/46/03/393574603.db2.gz LILXZXWBKUVOQY-OAHLLOKOSA-N 2 2 293.436 3.175 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1c(Cl)cccc1Cl)C1CC1 ZINC000430571662 393577122 /nfs/dbraw/zinc/57/71/22/393577122.db2.gz OSCAGDHFGYODGM-CYBMUJFWSA-N 2 2 273.207 3.210 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC000430769885 393595501 /nfs/dbraw/zinc/59/55/01/393595501.db2.gz YUVWITGAZSKCHC-CQSZACIVSA-N 2 2 268.351 3.348 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC3(C2)CCCCC3)CCC1 ZINC000421394655 393606641 /nfs/dbraw/zinc/60/66/41/393606641.db2.gz PMYPXGDXWJIHQO-UHFFFAOYSA-N 2 2 250.430 3.173 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000360897618 393610096 /nfs/dbraw/zinc/61/00/96/393610096.db2.gz MSOLSZFZOPYORS-BPUTZDHNSA-N 2 2 276.424 3.076 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000360897618 393610100 /nfs/dbraw/zinc/61/01/00/393610100.db2.gz MSOLSZFZOPYORS-BPUTZDHNSA-N 2 2 276.424 3.076 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)Cc3cccc(O)c3)c[nH+]c12 ZINC000360944049 393620888 /nfs/dbraw/zinc/62/08/88/393620888.db2.gz KKUCPCBMUOABCD-CQSZACIVSA-N 2 2 295.386 3.069 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422874707 393646085 /nfs/dbraw/zinc/64/60/85/393646085.db2.gz AQMRHWAGAXIOBN-BPUTZDHNSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCCF)C[N@H+](Cc2ccccc2)C1 ZINC000361058549 393660335 /nfs/dbraw/zinc/66/03/35/393660335.db2.gz FUCKAIHIYDPXNF-WBVHZDCISA-N 2 2 278.415 3.236 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCCF)C[N@@H+](Cc2ccccc2)C1 ZINC000361058549 393660341 /nfs/dbraw/zinc/66/03/41/393660341.db2.gz FUCKAIHIYDPXNF-WBVHZDCISA-N 2 2 278.415 3.236 20 0 CGADLP C[C@H]1CC[N@H+](CCCc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000361085526 393668617 /nfs/dbraw/zinc/66/86/17/393668617.db2.gz IJOVBDFJIYOFEB-HOCLYGCPSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@H]1CC[N@@H+](CCCc2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000361085526 393668621 /nfs/dbraw/zinc/66/86/21/393668621.db2.gz IJOVBDFJIYOFEB-HOCLYGCPSA-N 2 2 289.448 3.460 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1Cl ZINC000423551740 393672920 /nfs/dbraw/zinc/67/29/20/393672920.db2.gz JLUWFUAKWZQGRP-NWDGAFQWSA-N 2 2 252.789 3.133 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccsc1 ZINC000443106087 393744992 /nfs/dbraw/zinc/74/49/92/393744992.db2.gz VPAGEPHRFCYMMF-HOCLYGCPSA-N 2 2 296.480 3.290 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000443204356 393748946 /nfs/dbraw/zinc/74/89/46/393748946.db2.gz PCLZJPUHOAJAFJ-RYQLBKOJSA-N 2 2 292.467 3.247 20 0 CGADLP COC1CC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)C1 ZINC000361238300 393710360 /nfs/dbraw/zinc/71/03/60/393710360.db2.gz SXAQMTKXYHRPHR-UHFFFAOYSA-N 2 2 271.364 3.078 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668161 393772771 /nfs/dbraw/zinc/77/27/71/393772771.db2.gz BQMLBYRHPTZYQC-XJKCOSOUSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCC1 ZINC000493668161 393772773 /nfs/dbraw/zinc/77/27/73/393772773.db2.gz BQMLBYRHPTZYQC-XJKCOSOUSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666996923 542833461 /nfs/dbraw/zinc/83/34/61/542833461.db2.gz MCECFIZWJJQHKT-GFCCVEGCSA-N 2 2 279.453 3.031 20 0 CGADLP CC1(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)CC1 ZINC000449663406 393935695 /nfs/dbraw/zinc/93/56/95/393935695.db2.gz AERJWFXAPMNEGH-UHFFFAOYSA-N 2 2 273.405 3.356 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449778780 393944361 /nfs/dbraw/zinc/94/43/61/393944361.db2.gz CEUZNWLEHAGMSV-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449778780 393944363 /nfs/dbraw/zinc/94/43/63/393944363.db2.gz CEUZNWLEHAGMSV-CQSZACIVSA-N 2 2 250.430 3.173 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000450699995 394033657 /nfs/dbraw/zinc/03/36/57/394033657.db2.gz ZDBHXJLCXWLCCQ-ROUUACIJSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C1CCOCC1 ZINC000450699995 394033662 /nfs/dbraw/zinc/03/36/62/394033662.db2.gz ZDBHXJLCXWLCCQ-ROUUACIJSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000450699995 394033664 /nfs/dbraw/zinc/03/36/64/394033664.db2.gz ZDBHXJLCXWLCCQ-ROUUACIJSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000450699995 394033666 /nfs/dbraw/zinc/03/36/66/394033666.db2.gz ZDBHXJLCXWLCCQ-ROUUACIJSA-N 2 2 294.483 3.140 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000453068896 394160691 /nfs/dbraw/zinc/16/06/91/394160691.db2.gz JYUOGALXVFUFPN-DZKIICNBSA-N 2 2 296.480 3.288 20 0 CGADLP CC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453103067 394171927 /nfs/dbraw/zinc/17/19/27/394171927.db2.gz WIHHKIKIHITNGG-SFHVURJKSA-N 2 2 283.419 3.254 20 0 CGADLP CC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000453103067 394171932 /nfs/dbraw/zinc/17/19/32/394171932.db2.gz WIHHKIKIHITNGG-SFHVURJKSA-N 2 2 283.419 3.254 20 0 CGADLP Cc1[nH+]cc(C[N@H+](Cc2cccc(F)c2)C(C)C)n1C ZINC000667503401 542880657 /nfs/dbraw/zinc/88/06/57/542880657.db2.gz KYUSSRCPFAPRDS-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](Cc2cccc(F)c2)C(C)C)n1C ZINC000667503401 542880660 /nfs/dbraw/zinc/88/06/60/542880660.db2.gz KYUSSRCPFAPRDS-UHFFFAOYSA-N 2 2 275.371 3.278 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000667654844 542907494 /nfs/dbraw/zinc/90/74/94/542907494.db2.gz MPQNAAJLNLTEHW-SJKOYZFVSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)n1C ZINC000667654844 542907496 /nfs/dbraw/zinc/90/74/96/542907496.db2.gz MPQNAAJLNLTEHW-SJKOYZFVSA-N 2 2 287.382 3.451 20 0 CGADLP CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688445 542916698 /nfs/dbraw/zinc/91/66/98/542916698.db2.gz SDQZRPZDLJHEGL-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667688445 542916700 /nfs/dbraw/zinc/91/67/00/542916700.db2.gz SDQZRPZDLJHEGL-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667934936 542947007 /nfs/dbraw/zinc/94/70/07/542947007.db2.gz YWMUPWVZTNHUAE-QLFBSQMISA-N 2 2 283.419 3.284 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc21 ZINC000667947398 542948990 /nfs/dbraw/zinc/94/89/90/542948990.db2.gz OSCSLJMBIPEROV-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc21 ZINC000667947398 542948992 /nfs/dbraw/zinc/94/89/92/542948992.db2.gz OSCSLJMBIPEROV-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc21 ZINC000667947398 542948993 /nfs/dbraw/zinc/94/89/93/542948993.db2.gz OSCSLJMBIPEROV-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)cc21 ZINC000667947398 542948994 /nfs/dbraw/zinc/94/89/94/542948994.db2.gz OSCSLJMBIPEROV-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP CSc1ccccc1C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668091977 542968651 /nfs/dbraw/zinc/96/86/51/542968651.db2.gz VBTBTQZOXCPEOE-UHFFFAOYSA-N 2 2 275.421 3.082 20 0 CGADLP CSc1ccccc1C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668091977 542968654 /nfs/dbraw/zinc/96/86/54/542968654.db2.gz VBTBTQZOXCPEOE-UHFFFAOYSA-N 2 2 275.421 3.082 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1C ZINC000668098724 542969724 /nfs/dbraw/zinc/96/97/24/542969724.db2.gz PWOIQTHXXXAAIK-QGZVFWFLSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1C ZINC000668098724 542969726 /nfs/dbraw/zinc/96/97/26/542969726.db2.gz PWOIQTHXXXAAIK-QGZVFWFLSA-N 2 2 287.382 3.031 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)[nH]c2c1 ZINC000668169209 542979413 /nfs/dbraw/zinc/97/94/13/542979413.db2.gz KZCRSZFWJRRYJN-OAHLLOKOSA-N 2 2 294.402 3.199 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)[nH]c2c1 ZINC000668169209 542979416 /nfs/dbraw/zinc/97/94/16/542979416.db2.gz KZCRSZFWJRRYJN-OAHLLOKOSA-N 2 2 294.402 3.199 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668174277 542981486 /nfs/dbraw/zinc/98/14/86/542981486.db2.gz IYVWTROWXUIMKD-QGZVFWFLSA-N 2 2 287.407 3.320 20 0 CGADLP CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668174277 542981488 /nfs/dbraw/zinc/98/14/88/542981488.db2.gz IYVWTROWXUIMKD-QGZVFWFLSA-N 2 2 287.407 3.320 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC12CC=CC2 ZINC000668277350 543001634 /nfs/dbraw/zinc/00/16/34/543001634.db2.gz FITZZGJNVXHZMG-INIZCTEOSA-N 2 2 271.408 3.006 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CC=CC2 ZINC000668277350 543001637 /nfs/dbraw/zinc/00/16/37/543001637.db2.gz FITZZGJNVXHZMG-INIZCTEOSA-N 2 2 271.408 3.006 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000668431793 543012510 /nfs/dbraw/zinc/01/25/10/543012510.db2.gz DVSMQSSQXSISDN-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000668431793 543012511 /nfs/dbraw/zinc/01/25/11/543012511.db2.gz DVSMQSSQXSISDN-GOEBONIOSA-N 2 2 260.425 3.253 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423388139 285621940 /nfs/dbraw/zinc/62/19/40/285621940.db2.gz TWUZPRLFHQDVET-BXUZGUMPSA-N 2 2 282.815 3.141 20 0 CGADLP Cc1ccc(CCC[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c[nH+]1 ZINC000668844311 543071560 /nfs/dbraw/zinc/07/15/60/543071560.db2.gz IKPCFZYEGGRJSP-UHFFFAOYSA-N 2 2 298.434 3.130 20 0 CGADLP CCc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000672343517 543210112 /nfs/dbraw/zinc/21/01/12/543210112.db2.gz QBVFQAFQQRDKEH-KSSFIOAISA-N 2 2 298.434 3.451 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000481555805 292110320 /nfs/dbraw/zinc/11/03/20/292110320.db2.gz GIRIVICXRBTCBR-MSOLQXFVSA-N 2 2 274.452 3.246 20 0 CGADLP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000481555805 292110321 /nfs/dbraw/zinc/11/03/21/292110321.db2.gz GIRIVICXRBTCBR-MSOLQXFVSA-N 2 2 274.452 3.246 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000384869798 397688216 /nfs/dbraw/zinc/68/82/16/397688216.db2.gz FZIKKCSPUGESHL-WBOJAVRRSA-N 2 2 285.391 3.089 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674322579 543281229 /nfs/dbraw/zinc/28/12/29/543281229.db2.gz XGVTVNQNLBRBMY-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674322579 543281230 /nfs/dbraw/zinc/28/12/30/543281230.db2.gz XGVTVNQNLBRBMY-OAHLLOKOSA-N 2 2 275.783 3.374 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C[N@@H+]1C1CC1 ZINC000650760645 397911049 /nfs/dbraw/zinc/91/10/49/397911049.db2.gz JJVDLJVXPZOCMO-DJIMGWMZSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C[N@H+]1C1CC1 ZINC000650760645 397911051 /nfs/dbraw/zinc/91/10/51/397911051.db2.gz JJVDLJVXPZOCMO-DJIMGWMZSA-N 2 2 299.462 3.018 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912538 543306835 /nfs/dbraw/zinc/30/68/35/543306835.db2.gz GQUCWEPYEGARGC-RNCFNFMXSA-N 2 2 273.207 3.033 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000674912538 543306836 /nfs/dbraw/zinc/30/68/36/543306836.db2.gz GQUCWEPYEGARGC-RNCFNFMXSA-N 2 2 273.207 3.033 20 0 CGADLP Cc1cccn2cc(CCNc3nc(C)[nH+]c(C)c3C)[nH+]c12 ZINC000675549383 543346686 /nfs/dbraw/zinc/34/66/86/543346686.db2.gz JWFXHTODAMMTDU-UHFFFAOYSA-N 2 2 295.390 3.013 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766708 543362067 /nfs/dbraw/zinc/36/20/67/543362067.db2.gz NZCHRBODUAQJMD-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766708 543362069 /nfs/dbraw/zinc/36/20/69/543362069.db2.gz NZCHRBODUAQJMD-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767260 543362671 /nfs/dbraw/zinc/36/26/71/543362671.db2.gz RZVIPVCYINIPAI-IRXDYDNUSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767260 543362672 /nfs/dbraw/zinc/36/26/72/543362672.db2.gz RZVIPVCYINIPAI-IRXDYDNUSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833803 543368797 /nfs/dbraw/zinc/36/87/97/543368797.db2.gz PDZBFKVBWKQBBD-KUHUBIRLSA-N 2 2 284.447 3.310 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCC2 ZINC000675833803 543368799 /nfs/dbraw/zinc/36/87/99/543368799.db2.gz PDZBFKVBWKQBBD-KUHUBIRLSA-N 2 2 284.447 3.310 20 0 CGADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000676082355 543381782 /nfs/dbraw/zinc/38/17/82/543381782.db2.gz LXCHBYYXWTXCSU-CQSZACIVSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000676082355 543381786 /nfs/dbraw/zinc/38/17/86/543381786.db2.gz LXCHBYYXWTXCSU-CQSZACIVSA-N 2 2 291.345 3.041 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000677236871 543440826 /nfs/dbraw/zinc/44/08/26/543440826.db2.gz KOENNQMUGYLAQI-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000677236871 543440828 /nfs/dbraw/zinc/44/08/28/543440828.db2.gz KOENNQMUGYLAQI-WBVHZDCISA-N 2 2 258.409 3.056 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)[nH]1 ZINC000678236278 543499879 /nfs/dbraw/zinc/49/98/79/543499879.db2.gz XLOKWMJUTWYBCV-OAHLLOKOSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)[nH]1 ZINC000678236278 543499881 /nfs/dbraw/zinc/49/98/81/543499881.db2.gz XLOKWMJUTWYBCV-OAHLLOKOSA-N 2 2 280.375 3.202 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000678590875 543539086 /nfs/dbraw/zinc/53/90/86/543539086.db2.gz LJUYXPBYMZUAEI-CVEARBPZSA-N 2 2 292.854 3.487 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000678590875 543539088 /nfs/dbraw/zinc/53/90/88/543539088.db2.gz LJUYXPBYMZUAEI-CVEARBPZSA-N 2 2 292.854 3.487 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000678767642 543555048 /nfs/dbraw/zinc/55/50/48/543555048.db2.gz BPCCAAUIRYDJAQ-KDOFPFPSSA-N 2 2 272.436 3.384 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1c2ccccc2CC[C@H]1C)C1CC1 ZINC000678767642 543555052 /nfs/dbraw/zinc/55/50/52/543555052.db2.gz BPCCAAUIRYDJAQ-KDOFPFPSSA-N 2 2 272.436 3.384 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000678769898 543556060 /nfs/dbraw/zinc/55/60/60/543556060.db2.gz BIPMMQHMBZAQEM-SJLPKXTDSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000678769898 543556061 /nfs/dbraw/zinc/55/60/61/543556061.db2.gz BIPMMQHMBZAQEM-SJLPKXTDSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000342718532 298377703 /nfs/dbraw/zinc/37/77/03/298377703.db2.gz YQLHHRUOEITCQR-HIFRSBDPSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2n1 ZINC000423499777 287064446 /nfs/dbraw/zinc/06/44/46/287064446.db2.gz JTSKCZWSMAFRCL-FZKQIMNGSA-N 2 2 283.419 3.403 20 0 CGADLP Fc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000075836158 165103539 /nfs/dbraw/zinc/10/35/39/165103539.db2.gz OROFPZIJNVTFJV-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP Fc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000075836158 165103542 /nfs/dbraw/zinc/10/35/42/165103542.db2.gz OROFPZIJNVTFJV-AWEZNQCLSA-N 2 2 294.389 3.273 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000077249588 165120824 /nfs/dbraw/zinc/12/08/24/165120824.db2.gz XEPDEVKSXWTERQ-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000077249588 165120829 /nfs/dbraw/zinc/12/08/29/165120829.db2.gz XEPDEVKSXWTERQ-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]c2ccccc2n1C ZINC000079043989 165143663 /nfs/dbraw/zinc/14/36/63/165143663.db2.gz DABFGECNJAPHLO-AWEZNQCLSA-N 2 2 286.423 3.250 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]c2ccccc2n1C ZINC000079043989 165143666 /nfs/dbraw/zinc/14/36/66/165143666.db2.gz DABFGECNJAPHLO-AWEZNQCLSA-N 2 2 286.423 3.250 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC=CCC2)n1-c1ccccc1 ZINC000081292739 165166538 /nfs/dbraw/zinc/16/65/38/165166538.db2.gz RVCZUDSWNFBOKS-OAHLLOKOSA-N 2 2 267.376 3.379 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000089142174 165200093 /nfs/dbraw/zinc/20/00/93/165200093.db2.gz LGDYMQQHQFXAAM-HOCLYGCPSA-N 2 2 288.439 3.001 20 0 CGADLP CC(C)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000090230906 165233036 /nfs/dbraw/zinc/23/30/36/165233036.db2.gz JGQKXAMZMRQMTL-UHFFFAOYSA-N 2 2 273.424 3.076 20 0 CGADLP CC[C@H](CSC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000091098314 165256840 /nfs/dbraw/zinc/25/68/40/165256840.db2.gz DDBQCCACBAHIFJ-OAHLLOKOSA-N 2 2 289.448 3.446 20 0 CGADLP CC[C@H](CSC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000091098314 165256841 /nfs/dbraw/zinc/25/68/41/165256841.db2.gz DDBQCCACBAHIFJ-OAHLLOKOSA-N 2 2 289.448 3.446 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000430702654 287107447 /nfs/dbraw/zinc/10/74/47/287107447.db2.gz ZNJBFWRVIDNDIN-XGYYKPKNSA-N 2 2 264.457 3.416 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000430702654 287107448 /nfs/dbraw/zinc/10/74/48/287107448.db2.gz ZNJBFWRVIDNDIN-XGYYKPKNSA-N 2 2 264.457 3.416 20 0 CGADLP C[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253810 165287551 /nfs/dbraw/zinc/28/75/51/165287551.db2.gz ZHLBQCZVQNLXGH-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP C[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253810 165287558 /nfs/dbraw/zinc/28/75/58/165287558.db2.gz ZHLBQCZVQNLXGH-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253810 165287560 /nfs/dbraw/zinc/28/75/60/165287560.db2.gz ZHLBQCZVQNLXGH-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP C[NH+](Cc1cnc(C(C)(C)C)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253810 165287562 /nfs/dbraw/zinc/28/75/62/165287562.db2.gz ZHLBQCZVQNLXGH-ZDUSSCGKSA-N 2 2 295.496 3.214 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253686 165288064 /nfs/dbraw/zinc/28/80/64/165288064.db2.gz PZLLMYRPWJSBPK-FMKPAKJESA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253686 165288070 /nfs/dbraw/zinc/28/80/70/165288070.db2.gz PZLLMYRPWJSBPK-FMKPAKJESA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000092253686 165288072 /nfs/dbraw/zinc/28/80/72/165288072.db2.gz PZLLMYRPWJSBPK-FMKPAKJESA-N 2 2 276.424 3.177 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000092253686 165288076 /nfs/dbraw/zinc/28/80/76/165288076.db2.gz PZLLMYRPWJSBPK-FMKPAKJESA-N 2 2 276.424 3.177 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)n2c1 ZINC000092485943 165298813 /nfs/dbraw/zinc/29/88/13/165298813.db2.gz AWWSPWHAQPRTCL-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)n2c1 ZINC000092485943 165298817 /nfs/dbraw/zinc/29/88/17/165298817.db2.gz AWWSPWHAQPRTCL-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC000092587912 165303347 /nfs/dbraw/zinc/30/33/47/165303347.db2.gz PVCGDFWYZORSDW-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cncs2)C1 ZINC000092587912 165303352 /nfs/dbraw/zinc/30/33/52/165303352.db2.gz PVCGDFWYZORSDW-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000092587912 165303355 /nfs/dbraw/zinc/30/33/55/165303355.db2.gz PVCGDFWYZORSDW-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000092587912 165303357 /nfs/dbraw/zinc/30/33/57/165303357.db2.gz PVCGDFWYZORSDW-LSDHHAIUSA-N 2 2 293.480 3.230 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccnc2)[NH+](C)C)cc1 ZINC000092742587 165313819 /nfs/dbraw/zinc/31/38/19/165313819.db2.gz JYKBTYWUSDDFQV-MAUKXSAKSA-N 2 2 283.419 3.344 20 0 CGADLP CCC[N@H+](Cc1nc(C(C)(C)C)cs1)C1CC[NH2+]CC1 ZINC000094969942 165399966 /nfs/dbraw/zinc/39/99/66/165399966.db2.gz JNCNKNWGZJPYEG-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[N@@H+](Cc1nc(C(C)(C)C)cs1)C1CC[NH2+]CC1 ZINC000094969942 165399968 /nfs/dbraw/zinc/39/99/68/165399968.db2.gz JNCNKNWGZJPYEG-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@@H+]1C1CC1 ZINC000156352785 165463936 /nfs/dbraw/zinc/46/39/36/165463936.db2.gz QHLMSCWAVPDMBZ-GDBMZVCRSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@H+]1C1CC1 ZINC000156352785 165463938 /nfs/dbraw/zinc/46/39/38/165463938.db2.gz QHLMSCWAVPDMBZ-GDBMZVCRSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406342 287116190 /nfs/dbraw/zinc/11/61/90/287116190.db2.gz RRZMLRHRORNDRR-CHWSQXEVSA-N 2 2 293.480 3.014 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc2c(s1)CCCC2 ZINC000093406342 287116193 /nfs/dbraw/zinc/11/61/93/287116193.db2.gz RRZMLRHRORNDRR-CHWSQXEVSA-N 2 2 293.480 3.014 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccoc1 ZINC000094867718 287122923 /nfs/dbraw/zinc/12/29/23/287122923.db2.gz GYLQQRRUHCOUJX-LBPRGKRZSA-N 2 2 269.348 3.289 20 0 CGADLP Cc1nc(C)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000111361842 287134311 /nfs/dbraw/zinc/13/43/11/287134311.db2.gz SEFUQADRFGWQAL-LLVKDONJSA-N 2 2 278.425 3.087 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000119045587 287164098 /nfs/dbraw/zinc/16/40/98/287164098.db2.gz WRDAVEHHIMEOLW-RHSMWYFYSA-N 2 2 278.440 3.466 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126928 171012211 /nfs/dbraw/zinc/01/22/11/171012211.db2.gz ZRMZBMZQGJYMBY-OAHLLOKOSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000020189261 171054790 /nfs/dbraw/zinc/05/47/90/171054790.db2.gz NBUXJNHZBOUTAJ-GFCCVEGCSA-N 2 2 282.378 3.488 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000126550129 287267798 /nfs/dbraw/zinc/26/77/98/287267798.db2.gz IMNWPWFSAPSSEH-QGZVFWFLSA-N 2 2 292.854 3.129 20 0 CGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000285467646 196293872 /nfs/dbraw/zinc/29/38/72/196293872.db2.gz NLZZNQDXMKZFHR-NVXWUHKLSA-N 2 2 299.418 3.365 20 0 CGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000285467646 196293873 /nfs/dbraw/zinc/29/38/73/196293873.db2.gz NLZZNQDXMKZFHR-NVXWUHKLSA-N 2 2 299.418 3.365 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000038029062 174018545 /nfs/dbraw/zinc/01/85/45/174018545.db2.gz XHLLMZJZSFSMND-MAUKXSAKSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000043326559 175007953 /nfs/dbraw/zinc/00/79/53/175007953.db2.gz SLXWLJYGVXKEHR-GWCFXTLKSA-N 2 2 272.314 3.108 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(Cl)s1)Cn1cc[nH+]c1 ZINC000067500583 175776745 /nfs/dbraw/zinc/77/67/45/175776745.db2.gz DKDYVOSIZJLURM-SNVBAGLBSA-N 2 2 269.801 3.024 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1F ZINC000128609117 287314869 /nfs/dbraw/zinc/31/48/69/287314869.db2.gz RGHYYTTUYCFZEV-MBNYWOFBSA-N 2 2 292.398 3.110 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1F ZINC000128609117 287314874 /nfs/dbraw/zinc/31/48/74/287314874.db2.gz RGHYYTTUYCFZEV-MBNYWOFBSA-N 2 2 292.398 3.110 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122288010 416503349 /nfs/dbraw/zinc/50/33/49/416503349.db2.gz PDBJEVKRBFBCAQ-OCCSQVGLSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122288010 416503352 /nfs/dbraw/zinc/50/33/52/416503352.db2.gz PDBJEVKRBFBCAQ-OCCSQVGLSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000124549175 416506998 /nfs/dbraw/zinc/50/69/98/416506998.db2.gz LWPHKYPNFYQFQX-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1[NH3+] ZINC000124549175 416507001 /nfs/dbraw/zinc/50/70/01/416507001.db2.gz LWPHKYPNFYQFQX-YGRLFVJLSA-N 2 2 270.779 3.038 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000129734867 287337932 /nfs/dbraw/zinc/33/79/32/287337932.db2.gz CNLVVFWOHYISOL-OAHLLOKOSA-N 2 2 264.800 3.013 20 0 CGADLP C(=C\[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000679546482 543646367 /nfs/dbraw/zinc/64/63/67/543646367.db2.gz ZIGKQRSUXFCPJP-LPADLIQXSA-N 2 2 281.403 3.451 20 0 CGADLP C(=C\[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1ccccc1 ZINC000679546482 543646369 /nfs/dbraw/zinc/64/63/69/543646369.db2.gz ZIGKQRSUXFCPJP-LPADLIQXSA-N 2 2 281.403 3.451 20 0 CGADLP CCC(CC)(CC)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000679840345 543664064 /nfs/dbraw/zinc/66/40/64/543664064.db2.gz FVIAAYFGSMOSDO-OAHLLOKOSA-N 2 2 272.502 3.230 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000680343121 543701225 /nfs/dbraw/zinc/70/12/25/543701225.db2.gz QYSJWAKMGBXSMP-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681482996 543790262 /nfs/dbraw/zinc/79/02/62/543790262.db2.gz HPJXYDRIDQCZRH-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681482996 543790263 /nfs/dbraw/zinc/79/02/63/543790263.db2.gz HPJXYDRIDQCZRH-AEFFLSMTSA-N 2 2 283.419 3.399 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1F ZINC000130544862 287357962 /nfs/dbraw/zinc/35/79/62/287357962.db2.gz ZXGZGWLYULHYGI-CYBMUJFWSA-N 2 2 283.350 3.367 20 0 CGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000682078224 543823385 /nfs/dbraw/zinc/82/33/85/543823385.db2.gz WCJDHLNQLABPJR-ZTFGCOKTSA-N 2 2 281.403 3.454 20 0 CGADLP C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000682078224 543823388 /nfs/dbraw/zinc/82/33/88/543823388.db2.gz WCJDHLNQLABPJR-ZTFGCOKTSA-N 2 2 281.403 3.454 20 0 CGADLP CCc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(O)cc1 ZINC000682407744 543842167 /nfs/dbraw/zinc/84/21/67/543842167.db2.gz XIXVBWPTZPNXRI-UHFFFAOYSA-N 2 2 295.386 3.094 20 0 CGADLP C[C@@H](C[NH2+]Cc1cnc(C2CCC2)s1)Cn1cc[nH+]c1 ZINC000131387936 287377975 /nfs/dbraw/zinc/37/79/75/287377975.db2.gz CJPPTAFIQCQLPY-LBPRGKRZSA-N 2 2 290.436 3.033 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682996145 543885068 /nfs/dbraw/zinc/88/50/68/543885068.db2.gz KJLYIINEYFAATQ-LBPRGKRZSA-N 2 2 281.812 3.435 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682996145 543885071 /nfs/dbraw/zinc/88/50/71/543885071.db2.gz KJLYIINEYFAATQ-LBPRGKRZSA-N 2 2 281.812 3.435 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682997295 543886073 /nfs/dbraw/zinc/88/60/73/543886073.db2.gz KAJUSLVCYGUCOY-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682997295 543886075 /nfs/dbraw/zinc/88/60/75/543886075.db2.gz KAJUSLVCYGUCOY-MRXNPFEDSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000684362238 543985666 /nfs/dbraw/zinc/98/56/66/543985666.db2.gz NFLCVEUCTBUZOO-GOSISDBHSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000684362238 543985671 /nfs/dbraw/zinc/98/56/71/543985671.db2.gz NFLCVEUCTBUZOO-GOSISDBHSA-N 2 2 298.434 3.202 20 0 CGADLP Cc1ccc(CCC[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000684385776 543990665 /nfs/dbraw/zinc/99/06/65/543990665.db2.gz LTQJTIAXGZLLPI-ROUUACIJSA-N 2 2 290.451 3.244 20 0 CGADLP C[C@H](CF)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000685473350 544078610 /nfs/dbraw/zinc/07/86/10/544078610.db2.gz LDIIKJQAJZDMJQ-GFCCVEGCSA-N 2 2 284.806 3.252 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cc[nH]c1)[NH+](C)C ZINC000443008341 227304259 /nfs/dbraw/zinc/30/42/59/227304259.db2.gz TTWJYPWQSUMHLC-YOEHRIQHSA-N 2 2 271.408 3.104 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000652329602 418953761 /nfs/dbraw/zinc/95/37/61/418953761.db2.gz ALBSTRWZMDKFTR-UHFFFAOYSA-N 2 2 298.352 3.378 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355777 418956148 /nfs/dbraw/zinc/95/61/48/418956148.db2.gz HKGUISMNMJDEJW-ZFWWWQNUSA-N 2 2 295.496 3.435 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000652355777 418956153 /nfs/dbraw/zinc/95/61/53/418956153.db2.gz HKGUISMNMJDEJW-ZFWWWQNUSA-N 2 2 295.496 3.435 20 0 CGADLP c1ccc(NC2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)[nH+]c1 ZINC000660149531 419087812 /nfs/dbraw/zinc/08/78/12/419087812.db2.gz ZPPFIIOSUGEFLW-OWCLPIDISA-N 2 2 285.435 3.394 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2c(s1)CCCC2 ZINC000665278055 419100253 /nfs/dbraw/zinc/10/02/53/419100253.db2.gz UCQBJTCPJAXNIA-FZWSLVFFSA-N 2 2 276.449 3.030 20 0 CGADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1F ZINC000665280146 419101527 /nfs/dbraw/zinc/10/15/27/419101527.db2.gz UOJDQAWPHMQAJQ-IQYSWEBNSA-N 2 2 282.790 3.272 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C3CC3)[C@H]3CCCCO3)c[nH+]c12 ZINC000655810531 419103606 /nfs/dbraw/zinc/10/36/06/419103606.db2.gz FLWIXOVBNHAJRM-SJORKVTESA-N 2 2 299.418 3.080 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Br)cc1 ZINC000665293964 419107598 /nfs/dbraw/zinc/10/75/98/419107598.db2.gz GEFSLCDXBFMMFB-GWCFXTLKSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000665296740 419110064 /nfs/dbraw/zinc/11/00/64/419110064.db2.gz XHADQFDXHKNNIT-YOEHRIQHSA-N 2 2 278.440 3.370 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000665298424 419111425 /nfs/dbraw/zinc/11/14/25/419111425.db2.gz VWWIIWGJFYSPKP-KBXCAEBGSA-N 2 2 286.394 3.307 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848133 419117810 /nfs/dbraw/zinc/11/78/10/419117810.db2.gz BZLDRBQIJTYWEO-BMFZPTHFSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848133 419117812 /nfs/dbraw/zinc/11/78/12/419117812.db2.gz BZLDRBQIJTYWEO-BMFZPTHFSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848494 419118810 /nfs/dbraw/zinc/11/88/10/419118810.db2.gz GEVVHUIYDVWHHH-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848494 419118817 /nfs/dbraw/zinc/11/88/17/419118817.db2.gz GEVVHUIYDVWHHH-FHLIZLRMSA-N 2 2 290.426 3.363 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849765 419120914 /nfs/dbraw/zinc/12/09/14/419120914.db2.gz YNQXDSZVXDLUER-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849765 419120916 /nfs/dbraw/zinc/12/09/16/419120916.db2.gz YNQXDSZVXDLUER-SOUVJXGZSA-N 2 2 250.430 3.172 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655855928 419123141 /nfs/dbraw/zinc/12/31/41/419123141.db2.gz JCBHUNLAGGDTPM-CVEARBPZSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655855928 419123143 /nfs/dbraw/zinc/12/31/43/419123143.db2.gz JCBHUNLAGGDTPM-CVEARBPZSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590063 419054803 /nfs/dbraw/zinc/05/48/03/419054803.db2.gz LZBBYQGCAKVLLK-KSSFIOAISA-N 2 2 295.430 3.459 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590063 419054808 /nfs/dbraw/zinc/05/48/08/419054808.db2.gz LZBBYQGCAKVLLK-KSSFIOAISA-N 2 2 295.430 3.459 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655699977 419068134 /nfs/dbraw/zinc/06/81/34/419068134.db2.gz IRZPKWZVQPNAEW-CABCVRRESA-N 2 2 294.464 3.042 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660068730 419071395 /nfs/dbraw/zinc/07/13/95/419071395.db2.gz PSTICHFHXWZWFR-STQMWFEESA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660068730 419071400 /nfs/dbraw/zinc/07/14/00/419071400.db2.gz PSTICHFHXWZWFR-STQMWFEESA-N 2 2 262.388 3.130 20 0 CGADLP c1cnc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000655856475 419124058 /nfs/dbraw/zinc/12/40/58/419124058.db2.gz OHOQNUIWOYRDCU-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000655856475 419124061 /nfs/dbraw/zinc/12/40/61/419124061.db2.gz OHOQNUIWOYRDCU-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855499 419124141 /nfs/dbraw/zinc/12/41/41/419124141.db2.gz FLOMWDPVPMBDLC-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855499 419124146 /nfs/dbraw/zinc/12/41/46/419124146.db2.gz FLOMWDPVPMBDLC-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728904 419080665 /nfs/dbraw/zinc/08/06/65/419080665.db2.gz ZZZYTRVZSMAGRT-HOCLYGCPSA-N 2 2 282.472 3.044 20 0 CGADLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000656399138 419168616 /nfs/dbraw/zinc/16/86/16/419168616.db2.gz ZFAOZAUREFRXIW-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(C)cc1 ZINC000656399138 419168618 /nfs/dbraw/zinc/16/86/18/419168618.db2.gz ZFAOZAUREFRXIW-UHFFFAOYSA-N 2 2 271.408 3.183 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662398 419178530 /nfs/dbraw/zinc/17/85/30/419178530.db2.gz JRPRCVQWKDXBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662398 419178532 /nfs/dbraw/zinc/17/85/32/419178532.db2.gz JRPRCVQWKDXBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662398 419178534 /nfs/dbraw/zinc/17/85/34/419178534.db2.gz JRPRCVQWKDXBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC000660662398 419178536 /nfs/dbraw/zinc/17/85/36/419178536.db2.gz JRPRCVQWKDXBRP-INIZCTEOSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1cccnc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678412 419182456 /nfs/dbraw/zinc/18/24/56/419182456.db2.gz UBFQAKCYJLYMOU-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP C[C@H]1CCC(C)(C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660755846 419190487 /nfs/dbraw/zinc/19/04/87/419190487.db2.gz UIIBNWDSRLYPHW-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H]1CCC(C)(C)[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660755846 419190491 /nfs/dbraw/zinc/19/04/91/419190491.db2.gz UIIBNWDSRLYPHW-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP COc1ccc(C(C)C)cc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000655938399 419128179 /nfs/dbraw/zinc/12/81/79/419128179.db2.gz VCKUEJDSFWRACO-QGZVFWFLSA-N 2 2 278.440 3.282 20 0 CGADLP CC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657292764 419243832 /nfs/dbraw/zinc/24/38/32/419243832.db2.gz RWOHCWOJPGHGIJ-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)[nH]c2c1 ZINC000657333944 419252627 /nfs/dbraw/zinc/25/26/27/419252627.db2.gz FTMPYCYONWFENY-AWEZNQCLSA-N 2 2 282.391 3.099 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]CCc1ccc3ccccc3c1)CCC2 ZINC000657333427 419252811 /nfs/dbraw/zinc/25/28/11/419252811.db2.gz JNGLXNPWAHYLAV-UHFFFAOYSA-N 2 2 291.398 3.315 20 0 CGADLP C[C@@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657339185 419254372 /nfs/dbraw/zinc/25/43/72/419254372.db2.gz NYDJBRIZNJJVFT-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657341777 419256144 /nfs/dbraw/zinc/25/61/44/419256144.db2.gz LDXIJJNIXUUULA-MRXNPFEDSA-N 2 2 299.418 3.469 20 0 CGADLP Cc1cccc([C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657374940 419263560 /nfs/dbraw/zinc/26/35/60/419263560.db2.gz UBKKXBHFOFEAOB-AWEZNQCLSA-N 2 2 269.392 3.031 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656676675 419197645 /nfs/dbraw/zinc/19/76/45/419197645.db2.gz PLXOBWRRHFUHAT-RDJZCZTQSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656676675 419197649 /nfs/dbraw/zinc/19/76/49/419197649.db2.gz PLXOBWRRHFUHAT-RDJZCZTQSA-N 2 2 274.452 3.470 20 0 CGADLP CC(C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853312 419203575 /nfs/dbraw/zinc/20/35/75/419203575.db2.gz VGMDPZNHYMMBMH-UHFFFAOYSA-N 2 2 257.381 3.226 20 0 CGADLP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)c(OC(F)F)cc1C ZINC000656788520 419221436 /nfs/dbraw/zinc/22/14/36/419221436.db2.gz SZBXFIGUUCVDLG-UHFFFAOYSA-N 2 2 298.377 3.266 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000657390402 419268357 /nfs/dbraw/zinc/26/83/57/419268357.db2.gz CLKJOHFOGMTEGH-HNNXBMFYSA-N 2 2 282.472 3.046 20 0 CGADLP c1cn(CC[NH2+]Cc2cccc(C3CCCC3)c2)c[nH+]1 ZINC000657288943 419242915 /nfs/dbraw/zinc/24/29/15/419242915.db2.gz MRUAEBVWZPKFKJ-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP Cc1[nH+]c2cc(NCc3[nH+]ccn3C(C)C)ccc2n1C ZINC000657411921 419272594 /nfs/dbraw/zinc/27/25/94/419272594.db2.gz SSBKHMPPTFNQPV-UHFFFAOYSA-N 2 2 283.379 3.271 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CCC2 ZINC000657457012 419283669 /nfs/dbraw/zinc/28/36/69/419283669.db2.gz OQWOTJSZHQGXCD-INIZCTEOSA-N 2 2 285.366 3.136 20 0 CGADLP CC[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657479061 419289053 /nfs/dbraw/zinc/28/90/53/419289053.db2.gz QDLYKNRUNNHXPY-KBPBESRZSA-N 2 2 261.413 3.135 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657497477 419294496 /nfs/dbraw/zinc/29/44/96/419294496.db2.gz YAZOUBFOFUFWKK-UONOGXRCSA-N 2 2 261.413 3.134 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525808 419297502 /nfs/dbraw/zinc/29/75/02/419297502.db2.gz WIBLFCXMCJSJID-HNNXBMFYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525808 419297503 /nfs/dbraw/zinc/29/75/03/419297503.db2.gz WIBLFCXMCJSJID-HNNXBMFYSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657561634 419305052 /nfs/dbraw/zinc/30/50/52/419305052.db2.gz CCUHYGNXGZKATQ-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657561634 419305053 /nfs/dbraw/zinc/30/50/53/419305053.db2.gz CCUHYGNXGZKATQ-CQSZACIVSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3C)n2c1 ZINC000657617060 419314690 /nfs/dbraw/zinc/31/46/90/419314690.db2.gz OUOWSUZRENMCMU-KBXCAEBGSA-N 2 2 291.398 3.461 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667038 419323892 /nfs/dbraw/zinc/32/38/92/419323892.db2.gz XBIICQNBSXXKGB-KBMXLJTQSA-N 2 2 294.389 3.457 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657667038 419323893 /nfs/dbraw/zinc/32/38/93/419323893.db2.gz XBIICQNBSXXKGB-KBMXLJTQSA-N 2 2 294.389 3.457 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCSCC2)[NH+](C)C)cc1 ZINC000657859876 419391766 /nfs/dbraw/zinc/39/17/66/419391766.db2.gz YJNPBEQCGMOJCM-DLBZAZTESA-N 2 2 292.492 3.473 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324242 419392674 /nfs/dbraw/zinc/39/26/74/419392674.db2.gz ZVHJOEIHKXFNFK-JCURWCKSSA-N 2 2 272.367 3.272 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662324242 419392679 /nfs/dbraw/zinc/39/26/79/419392679.db2.gz ZVHJOEIHKXFNFK-JCURWCKSSA-N 2 2 272.367 3.272 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000657883174 419402964 /nfs/dbraw/zinc/40/29/64/419402964.db2.gz YOZPPWOBBYIDST-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000657883174 419402968 /nfs/dbraw/zinc/40/29/68/419402968.db2.gz YOZPPWOBBYIDST-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C(F)F ZINC000657836910 419381206 /nfs/dbraw/zinc/38/12/06/419381206.db2.gz XRMCYVWYNAPKEW-LLVKDONJSA-N 2 2 285.382 3.031 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992361 419481120 /nfs/dbraw/zinc/48/11/20/419481120.db2.gz IBFDOMSBCNULQG-DGCLKSJQSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C(C)(C)C(F)F ZINC000657992361 419481126 /nfs/dbraw/zinc/48/11/26/419481126.db2.gz IBFDOMSBCNULQG-DGCLKSJQSA-N 2 2 274.399 3.273 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657928891 419443905 /nfs/dbraw/zinc/44/39/05/419443905.db2.gz HIQCFDAWQXUKKM-LLVKDONJSA-N 2 2 256.340 3.202 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057959 419528493 /nfs/dbraw/zinc/52/84/93/419528493.db2.gz QKUZFJAVIIEVEY-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057959 419528497 /nfs/dbraw/zinc/52/84/97/419528497.db2.gz QKUZFJAVIIEVEY-KGLIPLIRSA-N 2 2 264.413 3.063 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000658058485 419529085 /nfs/dbraw/zinc/52/90/85/419529085.db2.gz DMPNJZWUJGXRPL-TZMCWYRMSA-N 2 2 262.397 3.119 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000658058485 419529089 /nfs/dbraw/zinc/52/90/89/419529089.db2.gz DMPNJZWUJGXRPL-TZMCWYRMSA-N 2 2 262.397 3.119 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058781 419533513 /nfs/dbraw/zinc/53/35/13/419533513.db2.gz UOXRHGUUZXBYKF-IAQYHMDHSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cc(F)cc(F)c1 ZINC000658058781 419533521 /nfs/dbraw/zinc/53/35/21/419533521.db2.gz UOXRHGUUZXBYKF-IAQYHMDHSA-N 2 2 282.378 3.488 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658063006 419536105 /nfs/dbraw/zinc/53/61/05/419536105.db2.gz UUKOVUYIASGEBS-RHSMWYFYSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000658063006 419536111 /nfs/dbraw/zinc/53/61/11/419536111.db2.gz UUKOVUYIASGEBS-RHSMWYFYSA-N 2 2 288.435 3.232 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062451 419537922 /nfs/dbraw/zinc/53/79/22/419537922.db2.gz RSXXUJSYZQXEFS-RYUDHWBXSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062451 419537930 /nfs/dbraw/zinc/53/79/30/419537930.db2.gz RSXXUJSYZQXEFS-RYUDHWBXSA-N 2 2 282.453 3.280 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658091037 419566063 /nfs/dbraw/zinc/56/60/63/419566063.db2.gz KHJAPRUWUQRQBQ-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658091037 419566070 /nfs/dbraw/zinc/56/60/70/419566070.db2.gz KHJAPRUWUQRQBQ-GDBMZVCRSA-N 2 2 290.451 3.089 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094320 419569764 /nfs/dbraw/zinc/56/97/64/419569764.db2.gz YHIXXXHMABGTMZ-CHWSQXEVSA-N 2 2 266.454 3.142 20 0 CGADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094320 419569771 /nfs/dbraw/zinc/56/97/71/419569771.db2.gz YHIXXXHMABGTMZ-CHWSQXEVSA-N 2 2 266.454 3.142 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347771 419570400 /nfs/dbraw/zinc/57/04/00/419570400.db2.gz UXCGECKSNFNGMV-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347771 419570415 /nfs/dbraw/zinc/57/04/15/419570415.db2.gz UXCGECKSNFNGMV-AWEZNQCLSA-N 2 2 294.389 3.176 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000658096228 419573049 /nfs/dbraw/zinc/57/30/49/419573049.db2.gz OWWXLMUKWNWUSH-QLFBSQMISA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000658096228 419573058 /nfs/dbraw/zinc/57/30/58/419573058.db2.gz OWWXLMUKWNWUSH-QLFBSQMISA-N 2 2 270.436 3.367 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000663396797 419590112 /nfs/dbraw/zinc/59/01/12/419590112.db2.gz DUOQUQZECJGSOD-OLZOCXBDSA-N 2 2 299.340 3.448 20 0 CGADLP Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000663396797 419590118 /nfs/dbraw/zinc/59/01/18/419590118.db2.gz DUOQUQZECJGSOD-OLZOCXBDSA-N 2 2 299.340 3.448 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000658161662 419624195 /nfs/dbraw/zinc/62/41/95/419624195.db2.gz LXVAJJXDIHGIRC-FRFSOERESA-N 2 2 285.391 3.090 20 0 CGADLP CC(C)Cn1cc[nH+]c1CNc1[nH+]ccc2[nH]ccc21 ZINC000663658112 419666579 /nfs/dbraw/zinc/66/65/79/419666579.db2.gz ONNVMOMWGLSZDJ-UHFFFAOYSA-N 2 2 269.352 3.028 20 0 CGADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658192349 419652320 /nfs/dbraw/zinc/65/23/20/419652320.db2.gz HGCXAEFJVXBJQK-INIZCTEOSA-N 2 2 278.415 3.379 20 0 CGADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658192349 419652325 /nfs/dbraw/zinc/65/23/25/419652325.db2.gz HGCXAEFJVXBJQK-INIZCTEOSA-N 2 2 278.415 3.379 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000658283125 419729197 /nfs/dbraw/zinc/72/91/97/419729197.db2.gz ALZVKOSMUNWYJT-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000658283125 419729202 /nfs/dbraw/zinc/72/92/02/419729202.db2.gz ALZVKOSMUNWYJT-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286173 419734757 /nfs/dbraw/zinc/73/47/57/419734757.db2.gz PVTPSRVQTFYCFG-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000658286173 419734765 /nfs/dbraw/zinc/73/47/65/419734765.db2.gz PVTPSRVQTFYCFG-BGTYHANMSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)C1 ZINC000658288246 419739309 /nfs/dbraw/zinc/73/93/09/419739309.db2.gz ROQVZJKJAMIHIC-UXLLHSPISA-N 2 2 260.425 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)C1 ZINC000658288246 419739314 /nfs/dbraw/zinc/73/93/14/419739314.db2.gz ROQVZJKJAMIHIC-UXLLHSPISA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265130 419719873 /nfs/dbraw/zinc/71/98/73/419719873.db2.gz KQRAEVYGSYPRDG-CNFGXJBXSA-N 2 2 284.394 3.027 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000658265130 419719881 /nfs/dbraw/zinc/71/98/81/419719881.db2.gz KQRAEVYGSYPRDG-CNFGXJBXSA-N 2 2 284.394 3.027 20 0 CGADLP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221156750 260121838 /nfs/dbraw/zinc/12/18/38/260121838.db2.gz MIJJKKJKIIVKMK-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221156750 260121839 /nfs/dbraw/zinc/12/18/39/260121839.db2.gz MIJJKKJKIIVKMK-KRWDZBQOSA-N 2 2 290.451 3.439 20 0 CGADLP COc1c(C)c[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c1C ZINC000319801166 262367425 /nfs/dbraw/zinc/36/74/25/262367425.db2.gz QUCDBFUBMONECI-VXGBXAGGSA-N 2 2 299.418 3.323 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186615359 270066806 /nfs/dbraw/zinc/06/68/06/270066806.db2.gz AKMGINCNNXFFAQ-UHFFFAOYSA-N 2 2 280.378 3.285 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186615359 270066807 /nfs/dbraw/zinc/06/68/07/270066807.db2.gz AKMGINCNNXFFAQ-UHFFFAOYSA-N 2 2 280.378 3.285 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000219265368 270085826 /nfs/dbraw/zinc/08/58/26/270085826.db2.gz HLTJBCZFSHXNJW-CYBMUJFWSA-N 2 2 280.843 3.345 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000223235186 270086557 /nfs/dbraw/zinc/08/65/57/270086557.db2.gz XBTVIJATDKIBCD-JKSUJKDBSA-N 2 2 274.452 3.388 20 0 CGADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000223235186 270086558 /nfs/dbraw/zinc/08/65/58/270086558.db2.gz XBTVIJATDKIBCD-JKSUJKDBSA-N 2 2 274.452 3.388 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527361202 270127609 /nfs/dbraw/zinc/12/76/09/270127609.db2.gz WJONOQLQWVLXMZ-WMLDXEAASA-N 2 2 278.415 3.393 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527361202 270127610 /nfs/dbraw/zinc/12/76/10/270127610.db2.gz WJONOQLQWVLXMZ-WMLDXEAASA-N 2 2 278.415 3.393 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000527673774 270131303 /nfs/dbraw/zinc/13/13/03/270131303.db2.gz OMOOZPGFRYAEQA-DGCLKSJQSA-N 2 2 274.399 3.130 20 0 CGADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000527673774 270131304 /nfs/dbraw/zinc/13/13/04/270131304.db2.gz OMOOZPGFRYAEQA-DGCLKSJQSA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000527805806 270137287 /nfs/dbraw/zinc/13/72/87/270137287.db2.gz IFSVOUXMGUERSI-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)s1 ZINC000527805806 270137288 /nfs/dbraw/zinc/13/72/88/270137288.db2.gz IFSVOUXMGUERSI-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP FC1(F)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527812011 270137897 /nfs/dbraw/zinc/13/78/97/270137897.db2.gz SVGOMMPRXDWCDW-AWEZNQCLSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527812011 270137898 /nfs/dbraw/zinc/13/78/98/270137898.db2.gz SVGOMMPRXDWCDW-AWEZNQCLSA-N 2 2 272.383 3.171 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527845837 270139590 /nfs/dbraw/zinc/13/95/90/270139590.db2.gz JSCFYMCUEIOPNC-TZMCWYRMSA-N 2 2 269.392 3.123 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)[NH+](C)C)cc1 ZINC000527855777 270140005 /nfs/dbraw/zinc/14/00/05/270140005.db2.gz ODKVVPMTTLCSSQ-XIRDDKMYSA-N 2 2 272.436 3.376 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC12CC2 ZINC000527862004 270140208 /nfs/dbraw/zinc/14/02/08/270140208.db2.gz DYAFGASDPDCWLL-BBRMVZONSA-N 2 2 267.376 3.151 20 0 CGADLP Cc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C(C)C)c1 ZINC000527893468 270142376 /nfs/dbraw/zinc/14/23/76/270142376.db2.gz QOEYHTCQEICEGG-WMZOPIPTSA-N 2 2 283.419 3.493 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCC1 ZINC000527948405 270146488 /nfs/dbraw/zinc/14/64/88/270146488.db2.gz LFBFXAMUWNEOFU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CCC1 ZINC000527948405 270146489 /nfs/dbraw/zinc/14/64/89/270146489.db2.gz LFBFXAMUWNEOFU-CJNGLKHVSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527948876 270146537 /nfs/dbraw/zinc/14/65/37/270146537.db2.gz MPAUZHIMTFJWSM-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527948876 270146538 /nfs/dbraw/zinc/14/65/38/270146538.db2.gz MPAUZHIMTFJWSM-QAPCUYQASA-N 2 2 294.483 3.188 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528007018 270150694 /nfs/dbraw/zinc/15/06/94/270150694.db2.gz AUUGIIDUWQMPTC-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528007018 270150695 /nfs/dbraw/zinc/15/06/95/270150695.db2.gz AUUGIIDUWQMPTC-IKGGRYGDSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528007862 270150997 /nfs/dbraw/zinc/15/09/97/270150997.db2.gz CWNABKZMZGGFHN-XJKSGUPXSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528007862 270150998 /nfs/dbraw/zinc/15/09/98/270150998.db2.gz CWNABKZMZGGFHN-XJKSGUPXSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528012137 270151015 /nfs/dbraw/zinc/15/10/15/270151015.db2.gz OCVUHFZGLDGPKL-GOEBONIOSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528012137 270151016 /nfs/dbraw/zinc/15/10/16/270151016.db2.gz OCVUHFZGLDGPKL-GOEBONIOSA-N 2 2 276.424 3.207 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010961 270151298 /nfs/dbraw/zinc/15/12/98/270151298.db2.gz KVAVYVMDCXINOA-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010961 270151299 /nfs/dbraw/zinc/15/12/99/270151299.db2.gz KVAVYVMDCXINOA-GJZGRUSLSA-N 2 2 250.430 3.172 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+](CC2CCCCCC2)CC1 ZINC000528727504 270170340 /nfs/dbraw/zinc/17/03/40/270170340.db2.gz SKBGQTPCIWMKSF-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC(F)(F)C1 ZINC000529536775 270183252 /nfs/dbraw/zinc/18/32/52/270183252.db2.gz QSCMUDYGRCVLFF-CJNGLKHVSA-N 2 2 296.405 3.183 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215696 270195876 /nfs/dbraw/zinc/19/58/76/270195876.db2.gz IBCOMQUGLBGMAC-IRXDYDNUSA-N 2 2 295.430 3.420 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530217794 270196251 /nfs/dbraw/zinc/19/62/51/270196251.db2.gz HXJWLBUBJUMUHP-FZMZJTMJSA-N 2 2 296.361 3.223 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530225269 270196430 /nfs/dbraw/zinc/19/64/30/270196430.db2.gz XLLZFMYZYJZTLJ-WCQYABFASA-N 2 2 250.411 3.073 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C)cc1 ZINC000530225912 270196633 /nfs/dbraw/zinc/19/66/33/270196633.db2.gz XZNBMBDGVHUFLC-HOTGVXAUSA-N 2 2 258.409 3.320 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)Cn1cc[nH+]c1 ZINC000530319030 270198703 /nfs/dbraw/zinc/19/87/03/270198703.db2.gz JDKUWEIRULPHCT-LBPRGKRZSA-N 2 2 279.334 3.247 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531984703 270212417 /nfs/dbraw/zinc/21/24/17/270212417.db2.gz RERUBFLLNFRDGJ-ZIAGYGMSSA-N 2 2 278.465 3.401 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531984703 270212418 /nfs/dbraw/zinc/21/24/18/270212418.db2.gz RERUBFLLNFRDGJ-ZIAGYGMSSA-N 2 2 278.465 3.401 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000532502873 270216389 /nfs/dbraw/zinc/21/63/89/270216389.db2.gz UCNKJPBMMGPWSZ-MAUKXSAKSA-N 2 2 274.452 3.282 20 0 CGADLP CC(C)c1ccc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000532502873 270216390 /nfs/dbraw/zinc/21/63/90/270216390.db2.gz UCNKJPBMMGPWSZ-MAUKXSAKSA-N 2 2 274.452 3.282 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000532511673 270216450 /nfs/dbraw/zinc/21/64/50/270216450.db2.gz RNIBZRNDGIKPBN-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000532511673 270216451 /nfs/dbraw/zinc/21/64/51/270216451.db2.gz RNIBZRNDGIKPBN-HOTGVXAUSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532531199 270217262 /nfs/dbraw/zinc/21/72/62/270217262.db2.gz ZYFPZLOXHROTNM-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532531199 270217263 /nfs/dbraw/zinc/21/72/63/270217263.db2.gz ZYFPZLOXHROTNM-BLLLJJGKSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000533038950 270220903 /nfs/dbraw/zinc/22/09/03/270220903.db2.gz WEDFJEQYFZBEJX-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000533038950 270220904 /nfs/dbraw/zinc/22/09/04/270220904.db2.gz WEDFJEQYFZBEJX-MRXNPFEDSA-N 2 2 295.430 3.180 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000422754207 274254548 /nfs/dbraw/zinc/25/45/48/274254548.db2.gz GRUUHVRIVBGYFG-LSDHHAIUSA-N 3 2 286.423 3.040 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccccc31)CCC2 ZINC000366212662 274824000 /nfs/dbraw/zinc/82/40/00/274824000.db2.gz WCPBEMUHQDPJOO-NVXWUHKLSA-N 2 2 281.403 3.346 20 0 CGADLP c1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2s1 ZINC000266388660 275066068 /nfs/dbraw/zinc/06/60/68/275066068.db2.gz NVRQHPQHPOCWFH-ZDUSSCGKSA-N 2 2 287.432 3.361 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260777 276045569 /nfs/dbraw/zinc/04/55/69/276045569.db2.gz XRTHQLFXQCLFFW-GJZGRUSLSA-N 2 2 261.413 3.146 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+]1CCCC1 ZINC000337386668 287865246 /nfs/dbraw/zinc/86/52/46/287865246.db2.gz LOTYBXXLZXYWKY-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000300079251 276174036 /nfs/dbraw/zinc/17/40/36/276174036.db2.gz RXECRXCUXIUTPX-FVQBIDKESA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000300079251 276174037 /nfs/dbraw/zinc/17/40/37/276174037.db2.gz RXECRXCUXIUTPX-FVQBIDKESA-N 2 2 250.430 3.053 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383344 276174839 /nfs/dbraw/zinc/17/48/39/276174839.db2.gz FILIFNKWUJQPLS-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000092383344 276174840 /nfs/dbraw/zinc/17/48/40/276174840.db2.gz FILIFNKWUJQPLS-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000443860637 276180841 /nfs/dbraw/zinc/18/08/41/276180841.db2.gz IREBCMMWZTWSEK-CAOSSQGBSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000443860637 276180843 /nfs/dbraw/zinc/18/08/43/276180843.db2.gz IREBCMMWZTWSEK-CAOSSQGBSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000479435805 276180884 /nfs/dbraw/zinc/18/08/84/276180884.db2.gz HDMBDYQLHWMZAV-XOSAIJSUSA-N 2 2 262.441 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000479435805 276180886 /nfs/dbraw/zinc/18/08/86/276180886.db2.gz HDMBDYQLHWMZAV-XOSAIJSUSA-N 2 2 262.441 3.051 20 0 CGADLP CCOc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422875800 276368945 /nfs/dbraw/zinc/36/89/45/276368945.db2.gz PIZPTBZUFOXPQV-GOEBONIOSA-N 2 2 276.424 3.014 20 0 CGADLP CC(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000470024066 278035212 /nfs/dbraw/zinc/03/52/12/278035212.db2.gz IBOGFNSMZSPWNU-QGZVFWFLSA-N 2 2 258.409 3.136 20 0 CGADLP CC(C)c1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000470024066 278035215 /nfs/dbraw/zinc/03/52/15/278035215.db2.gz IBOGFNSMZSPWNU-QGZVFWFLSA-N 2 2 258.409 3.136 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103576 278174512 /nfs/dbraw/zinc/17/45/12/278174512.db2.gz XALUPHHKOSUYRC-DGCLKSJQSA-N 2 2 287.432 3.340 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103576 278174514 /nfs/dbraw/zinc/17/45/14/278174514.db2.gz XALUPHHKOSUYRC-DGCLKSJQSA-N 2 2 287.432 3.340 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000449212011 278221028 /nfs/dbraw/zinc/22/10/28/278221028.db2.gz YXQBVQQEVYCIJG-ZTFGCOKTSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000449212011 278221031 /nfs/dbraw/zinc/22/10/31/278221031.db2.gz YXQBVQQEVYCIJG-ZTFGCOKTSA-N 2 2 284.403 3.246 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)[N@H+](C)C1CC1 ZINC000127491334 278282529 /nfs/dbraw/zinc/28/25/29/278282529.db2.gz SPUMQWDGTPKWLT-YGONEPDPSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)[N@@H+](C)C1CC1 ZINC000127491334 278282530 /nfs/dbraw/zinc/28/25/30/278282530.db2.gz SPUMQWDGTPKWLT-YGONEPDPSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000127490892 278282647 /nfs/dbraw/zinc/28/26/47/278282647.db2.gz HLWNEZAQPMUKCE-JEYLPNPQSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000127490892 278282648 /nfs/dbraw/zinc/28/26/48/278282648.db2.gz HLWNEZAQPMUKCE-JEYLPNPQSA-N 2 2 258.409 3.005 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866940 288033151 /nfs/dbraw/zinc/03/31/51/288033151.db2.gz GKQZEADTAHZMRD-YJBOKZPZSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cn[nH]c1 ZINC000397866940 288033154 /nfs/dbraw/zinc/03/31/54/288033154.db2.gz GKQZEADTAHZMRD-YJBOKZPZSA-N 2 2 298.434 3.115 20 0 CGADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000398064754 288037970 /nfs/dbraw/zinc/03/79/70/288037970.db2.gz CVELDWLFYUEGGC-CXAGYDPISA-N 2 2 258.409 3.042 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035732858 278378198 /nfs/dbraw/zinc/37/81/98/278378198.db2.gz ZFIROVXAADHTJG-CHWSQXEVSA-N 2 2 255.365 3.321 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cc(Cl)ccc1OC ZINC000423435943 288060279 /nfs/dbraw/zinc/06/02/79/288060279.db2.gz FBACLQRBPDXLJW-KWBADKCTSA-N 2 2 270.804 3.125 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423054033 288062818 /nfs/dbraw/zinc/06/28/18/288062818.db2.gz UBIFDQHCCFNDJP-SMDDNHRTSA-N 2 2 268.351 3.244 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(OC)c1 ZINC000346808115 288066844 /nfs/dbraw/zinc/06/68/44/288066844.db2.gz VFQVZEYKDGUQPQ-RRQGHBQHSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(OC)c1 ZINC000346808115 288066846 /nfs/dbraw/zinc/06/68/46/288066846.db2.gz VFQVZEYKDGUQPQ-RRQGHBQHSA-N 2 2 276.424 3.219 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CCC2)cc1 ZINC000427719311 278845482 /nfs/dbraw/zinc/84/54/82/278845482.db2.gz PCXXSGOIINANCQ-PBHICJAKSA-N 2 2 260.425 3.376 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccsc1 ZINC000453191402 288088262 /nfs/dbraw/zinc/08/82/62/288088262.db2.gz IAMYCDZOLUDPFZ-XBFCOCLRSA-N 2 2 252.427 3.272 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000453191402 288088265 /nfs/dbraw/zinc/08/82/65/288088265.db2.gz IAMYCDZOLUDPFZ-XBFCOCLRSA-N 2 2 252.427 3.272 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)CCC2 ZINC000346548824 279004073 /nfs/dbraw/zinc/00/40/73/279004073.db2.gz CMXBQYGSXQZGCU-LUYZLQTOSA-N 2 2 275.440 3.483 20 0 CGADLP Cc1[nH]c2ccc(Cn3c[nH+]c4c3C[C@H](C)[C@H](C)C4)cc2[nH+]1 ZINC000450994212 279124673 /nfs/dbraw/zinc/12/46/73/279124673.db2.gz BQCBTGKYBTVKNP-NEPJUHHUSA-N 2 2 294.402 3.487 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@@H+]1C ZINC000341397283 279125229 /nfs/dbraw/zinc/12/52/29/279125229.db2.gz NTGIAWZNVFFQIQ-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCC[N@H+]1C ZINC000341397283 279125232 /nfs/dbraw/zinc/12/52/32/279125232.db2.gz NTGIAWZNVFFQIQ-BLYZHGLHSA-N 2 2 292.389 3.427 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000070343405 279165562 /nfs/dbraw/zinc/16/55/62/279165562.db2.gz PTXMNIWYANCBIU-BPQIPLTHSA-N 2 2 290.451 3.227 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100658 279314667 /nfs/dbraw/zinc/31/46/67/279314667.db2.gz FIVGKSKBZMVNIF-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100658 279314668 /nfs/dbraw/zinc/31/46/68/279314668.db2.gz FIVGKSKBZMVNIF-GDBMZVCRSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427564187 279314910 /nfs/dbraw/zinc/31/49/10/279314910.db2.gz IYJXEAJKUHDROK-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427564187 279314913 /nfs/dbraw/zinc/31/49/13/279314913.db2.gz IYJXEAJKUHDROK-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000361979663 288132851 /nfs/dbraw/zinc/13/28/51/288132851.db2.gz BHCJQUSFOSVXDB-DAXOMENPSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000361979663 288132853 /nfs/dbraw/zinc/13/28/53/288132853.db2.gz BHCJQUSFOSVXDB-DAXOMENPSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487556200 279486586 /nfs/dbraw/zinc/48/65/86/279486586.db2.gz HVHAEORGJQBNHW-LZWOXQAQSA-N 2 2 278.465 3.021 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422880646 279912470 /nfs/dbraw/zinc/91/24/70/279912470.db2.gz XJAXWBXQZRCUQA-IUIKQTSFSA-N 2 2 282.378 3.392 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527656783 288183235 /nfs/dbraw/zinc/18/32/35/288183235.db2.gz KOUHPTJGSMXGAZ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527656783 288183236 /nfs/dbraw/zinc/18/32/36/288183236.db2.gz KOUHPTJGSMXGAZ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC(C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667997 280222765 /nfs/dbraw/zinc/22/27/65/280222765.db2.gz YBQDVQKSMRPCEF-LSDHHAIUSA-N 2 2 275.440 3.241 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353606942 280329529 /nfs/dbraw/zinc/32/95/29/280329529.db2.gz FPUKHSBITRQWNA-XFMPKHEZSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353606942 280329532 /nfs/dbraw/zinc/32/95/32/280329532.db2.gz FPUKHSBITRQWNA-XFMPKHEZSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)c(C)[nH+]1 ZINC000451002743 280846602 /nfs/dbraw/zinc/84/66/02/280846602.db2.gz SAFYHCWKYCQNOX-NWDGAFQWSA-N 2 2 269.392 3.314 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751721 280951865 /nfs/dbraw/zinc/95/18/65/280951865.db2.gz ABXXVUQIFNBNQS-NZVBXONLSA-N 2 2 268.351 3.146 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000339066829 281092073 /nfs/dbraw/zinc/09/20/73/281092073.db2.gz KXUYEJXUXWNNJM-KRWDZBQOSA-N 2 2 258.409 3.058 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530179487 288296276 /nfs/dbraw/zinc/29/62/76/288296276.db2.gz YQCFRLHUEQLPBN-GOSISDBHSA-N 2 2 296.414 3.223 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000414348529 281358425 /nfs/dbraw/zinc/35/84/25/281358425.db2.gz JBSZFJRBSPAVJN-KRWDZBQOSA-N 2 2 298.434 3.035 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1CC)C1CCOCC1 ZINC000531718198 288342816 /nfs/dbraw/zinc/34/28/16/288342816.db2.gz ODEGWJXDYIXESA-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1CC)C1CCOCC1 ZINC000531718198 288342820 /nfs/dbraw/zinc/34/28/20/288342820.db2.gz ODEGWJXDYIXESA-DLBZAZTESA-N 2 2 282.472 3.046 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000531728507 288343798 /nfs/dbraw/zinc/34/37/98/288343798.db2.gz CGRHEZPKQHTXBG-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000531728507 288343802 /nfs/dbraw/zinc/34/38/02/288343802.db2.gz CGRHEZPKQHTXBG-KBAYOESNSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228927 288356645 /nfs/dbraw/zinc/35/66/45/288356645.db2.gz RATRXWQHKJOZGA-XHDPSFHLSA-N 2 2 298.833 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000532228927 288356646 /nfs/dbraw/zinc/35/66/46/288356646.db2.gz RATRXWQHKJOZGA-XHDPSFHLSA-N 2 2 298.833 3.296 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3c(C)cccc3C)CC2)c1 ZINC000532237137 288356888 /nfs/dbraw/zinc/35/68/88/288356888.db2.gz CSFRNUJAGCKWDA-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000532239078 288357287 /nfs/dbraw/zinc/35/72/87/288357287.db2.gz LTQYHTHYMAVRPE-WMLDXEAASA-N 2 2 276.424 3.078 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC)cc1 ZINC000532239078 288357291 /nfs/dbraw/zinc/35/72/91/288357291.db2.gz LTQYHTHYMAVRPE-WMLDXEAASA-N 2 2 276.424 3.078 20 0 CGADLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)CCC2 ZINC000423390130 282043160 /nfs/dbraw/zinc/04/31/60/282043160.db2.gz OGEMTMXAADGPOL-OCCSQVGLSA-N 2 2 293.480 3.197 20 0 CGADLP CCc1cc(OC)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000548852719 289025589 /nfs/dbraw/zinc/02/55/89/289025589.db2.gz IMPNJFRKFPTHIF-UHFFFAOYSA-N 2 2 287.407 3.024 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884897 289027766 /nfs/dbraw/zinc/02/77/66/289027766.db2.gz CZVXPNJLESETOP-LJIZCISZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570592 289122942 /nfs/dbraw/zinc/12/29/42/289122942.db2.gz XDWRYYUXAVVVHX-KDOFPFPSSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000551570592 289122945 /nfs/dbraw/zinc/12/29/45/289122945.db2.gz XDWRYYUXAVVVHX-KDOFPFPSSA-N 2 2 288.435 3.048 20 0 CGADLP CC[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)[C@H](C)C1 ZINC000553604021 289231517 /nfs/dbraw/zinc/23/15/17/289231517.db2.gz MKNJYKHKKZISHK-GFCCVEGCSA-N 2 2 289.810 3.419 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000554806197 289310018 /nfs/dbraw/zinc/31/00/18/289310018.db2.gz AYHRVNDFSJYYGJ-SJORKVTESA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000556100742 289370735 /nfs/dbraw/zinc/37/07/35/289370735.db2.gz HHZWYNAJCGWMPF-OWCLPIDISA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000556100742 289370736 /nfs/dbraw/zinc/37/07/36/289370736.db2.gz HHZWYNAJCGWMPF-OWCLPIDISA-N 2 2 252.446 3.418 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000556126804 289372367 /nfs/dbraw/zinc/37/23/67/289372367.db2.gz VZCLSTSGSICMKB-OALUTQOASA-N 2 2 280.415 3.264 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000556126804 289372368 /nfs/dbraw/zinc/37/23/68/289372368.db2.gz VZCLSTSGSICMKB-OALUTQOASA-N 2 2 280.415 3.264 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000558696272 289513028 /nfs/dbraw/zinc/51/30/28/289513028.db2.gz BTZQWPIIIOGHPT-RRFJBIMHSA-N 2 2 259.397 3.052 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccnc1 ZINC000560267941 289581298 /nfs/dbraw/zinc/58/12/98/289581298.db2.gz ORWFYNNGNULIRN-KRWDZBQOSA-N 2 2 284.407 3.101 20 0 CGADLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000562327891 289692172 /nfs/dbraw/zinc/69/21/72/289692172.db2.gz FLAOJLSQSRYSEL-UHFFFAOYSA-N 2 2 276.399 3.180 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000120465559 302247293 /nfs/dbraw/zinc/24/72/93/302247293.db2.gz MXKYBMWZJHOHDC-BZUAXINKSA-N 2 2 275.440 3.159 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000120465559 302247296 /nfs/dbraw/zinc/24/72/96/302247296.db2.gz MXKYBMWZJHOHDC-BZUAXINKSA-N 2 2 275.440 3.159 20 0 CGADLP Clc1c[nH+]ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000267395914 302889249 /nfs/dbraw/zinc/88/92/49/302889249.db2.gz OIDIDHSMXJGFBO-ZDUSSCGKSA-N 2 2 279.815 3.190 20 0 CGADLP [NH3+]C[C@@H]([NH2+]C1CCCC1)c1ccc2ccccc2c1 ZINC000087911858 303393272 /nfs/dbraw/zinc/39/32/72/303393272.db2.gz FHLKJPSEJPBETP-QGZVFWFLSA-N 2 2 254.377 3.372 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000155933771 321772047 /nfs/dbraw/zinc/77/20/47/321772047.db2.gz YWEBBBYVJDCNJF-CABCVRRESA-N 2 2 263.429 3.468 20 0 CGADLP COc1ccccc1[C@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000564646173 322037320 /nfs/dbraw/zinc/03/73/20/322037320.db2.gz KFQIZHPJRBKYMI-QGZVFWFLSA-N 2 2 276.424 3.078 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCC23CC3)[nH+]1 ZINC000565242454 322069867 /nfs/dbraw/zinc/06/98/67/322069867.db2.gz FGZMPDHDEBAYAQ-KRWDZBQOSA-N 2 2 295.430 3.396 20 0 CGADLP CCn1cc[nH+]c1CNc1[nH+]ccc2c(C)cccc21 ZINC000565418842 322076792 /nfs/dbraw/zinc/07/67/92/322076792.db2.gz HPTZAHZGOHJJLZ-UHFFFAOYSA-N 2 2 266.348 3.372 20 0 CGADLP C[NH+](C)C1(C[NH2+]CCCc2c(F)cccc2Cl)CCC1 ZINC000566077914 322102945 /nfs/dbraw/zinc/10/29/45/322102945.db2.gz DWBVOWTVOYRHHM-UHFFFAOYSA-N 2 2 298.833 3.486 20 0 CGADLP CC1(C)CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000567063052 322148854 /nfs/dbraw/zinc/14/88/54/322148854.db2.gz NBKIIONJJLDOIX-UHFFFAOYSA-N 2 2 261.394 3.212 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000567242401 322155997 /nfs/dbraw/zinc/15/59/97/322155997.db2.gz XAUVQKIOHJQULF-CQSZACIVSA-N 2 2 293.480 3.423 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000567749994 322175843 /nfs/dbraw/zinc/17/58/43/322175843.db2.gz CZBYILLBXFOUCI-FUHWJXTLSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749994 322175845 /nfs/dbraw/zinc/17/58/45/322175845.db2.gz CZBYILLBXFOUCI-FUHWJXTLSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568996428 322230957 /nfs/dbraw/zinc/23/09/57/322230957.db2.gz AIDICWOIMAMXSG-DLBZAZTESA-N 2 2 287.451 3.182 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568996428 322230960 /nfs/dbraw/zinc/23/09/60/322230960.db2.gz AIDICWOIMAMXSG-DLBZAZTESA-N 2 2 287.451 3.182 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568996428 322230963 /nfs/dbraw/zinc/23/09/63/322230963.db2.gz AIDICWOIMAMXSG-DLBZAZTESA-N 2 2 287.451 3.182 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568996428 322230965 /nfs/dbraw/zinc/23/09/65/322230965.db2.gz AIDICWOIMAMXSG-DLBZAZTESA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569221931 322240057 /nfs/dbraw/zinc/24/00/57/322240057.db2.gz KPTUJSKQWXFTPD-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569221931 322240059 /nfs/dbraw/zinc/24/00/59/322240059.db2.gz KPTUJSKQWXFTPD-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000570090073 322264569 /nfs/dbraw/zinc/26/45/69/322264569.db2.gz NCBXBSDJYMENED-ZFWWWQNUSA-N 2 2 269.392 3.050 20 0 CGADLP CC[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000570090073 322264570 /nfs/dbraw/zinc/26/45/70/322264570.db2.gz NCBXBSDJYMENED-ZFWWWQNUSA-N 2 2 269.392 3.050 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000570742277 322281484 /nfs/dbraw/zinc/28/14/84/322281484.db2.gz CAGDWZKGHNGDEO-NJAFHUGGSA-N 2 2 272.436 3.254 20 0 CGADLP CSc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000572170796 322323794 /nfs/dbraw/zinc/32/37/94/322323794.db2.gz JEZSQHYNPHUPEZ-UHFFFAOYSA-N 2 2 293.461 3.293 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000573483877 322390690 /nfs/dbraw/zinc/39/06/90/322390690.db2.gz QWEPYJGQVORYDT-ZWKOTPCHSA-N 2 2 282.387 3.052 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCc4cc(N)ccc43)n2c1 ZINC000574218896 322429306 /nfs/dbraw/zinc/42/93/06/322429306.db2.gz JVQSABNMKJQKQB-KRWDZBQOSA-N 2 2 292.386 3.002 20 0 CGADLP Cc1cccc(CCn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)[nH+]1 ZINC000399709778 326809398 /nfs/dbraw/zinc/80/93/98/326809398.db2.gz CUHISYIPIASGOU-OLZOCXBDSA-N 2 2 269.392 3.200 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CC3)c(C)c2)CC1 ZINC000177234324 335368875 /nfs/dbraw/zinc/36/88/75/335368875.db2.gz UGMBPLKUGKSCSI-OAHLLOKOSA-N 2 2 287.451 3.347 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC000177329076 335370312 /nfs/dbraw/zinc/37/03/12/335370312.db2.gz ZAUOCDUCLWUDMX-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCC1 ZINC000177329076 335370314 /nfs/dbraw/zinc/37/03/14/335370314.db2.gz ZAUOCDUCLWUDMX-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC000177329076 335370315 /nfs/dbraw/zinc/37/03/15/335370315.db2.gz ZAUOCDUCLWUDMX-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC000177329076 335370317 /nfs/dbraw/zinc/37/03/17/335370317.db2.gz ZAUOCDUCLWUDMX-CVEARBPZSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000577681489 335388021 /nfs/dbraw/zinc/38/80/21/335388021.db2.gz VBFLHULBJXRJME-OJLVUWQFSA-N 2 2 294.389 3.140 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000577681489 335388022 /nfs/dbraw/zinc/38/80/22/335388022.db2.gz VBFLHULBJXRJME-OJLVUWQFSA-N 2 2 294.389 3.140 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C)CCCCC3)n2c1 ZINC000178892235 335458282 /nfs/dbraw/zinc/45/82/82/335458282.db2.gz RKMZCRWCVDGYSU-UHFFFAOYSA-N 2 2 257.381 3.455 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2ccc(C)cc2)n1C ZINC000578523761 335645489 /nfs/dbraw/zinc/64/54/89/335645489.db2.gz PGXHITQJZOPROV-UHFFFAOYSA-N 2 2 271.408 3.104 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)n1C ZINC000580784854 335966782 /nfs/dbraw/zinc/96/67/82/335966782.db2.gz FBBLLTRMWLGNGL-UHFFFAOYSA-N 2 2 287.382 3.079 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000581067303 336003041 /nfs/dbraw/zinc/00/30/41/336003041.db2.gz HYHOYBRLWNJZQJ-CMPLNLGQSA-N 2 2 270.779 3.272 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000382031004 336080600 /nfs/dbraw/zinc/08/06/00/336080600.db2.gz DJDGBCRSHJJEBU-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000382031004 336080602 /nfs/dbraw/zinc/08/06/02/336080602.db2.gz DJDGBCRSHJJEBU-ZMSDIMECSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@@H](C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000384322731 336123783 /nfs/dbraw/zinc/12/37/83/336123783.db2.gz PYOXFTGBUZOBBT-KXBFYZLASA-N 2 2 280.415 3.348 20 0 CGADLP C[C@@H](C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000384322731 336123785 /nfs/dbraw/zinc/12/37/85/336123785.db2.gz PYOXFTGBUZOBBT-KXBFYZLASA-N 2 2 280.415 3.348 20 0 CGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1Br ZINC000385103505 336138319 /nfs/dbraw/zinc/13/83/19/336138319.db2.gz BKTATVLFPRSTSP-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1Br ZINC000385103505 336138321 /nfs/dbraw/zinc/13/83/21/336138321.db2.gz BKTATVLFPRSTSP-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP CSCC1CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000385529928 336150708 /nfs/dbraw/zinc/15/07/08/336150708.db2.gz JSWYHDIGGUOAIV-GPANFISMSA-N 2 2 286.529 3.474 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000581888623 336160579 /nfs/dbraw/zinc/16/05/79/336160579.db2.gz MZCCQLJQMNWLJI-UHFFFAOYSA-N 2 2 254.805 3.032 20 0 CGADLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000581888623 336160580 /nfs/dbraw/zinc/16/05/80/336160580.db2.gz MZCCQLJQMNWLJI-UHFFFAOYSA-N 2 2 254.805 3.032 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386925816 336182498 /nfs/dbraw/zinc/18/24/98/336182498.db2.gz SGAUIXBGQAVAQR-CVEARBPZSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H](C)[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386925816 336182499 /nfs/dbraw/zinc/18/24/99/336182499.db2.gz SGAUIXBGQAVAQR-CVEARBPZSA-N 2 2 290.451 3.054 20 0 CGADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423382457 533874762 /nfs/dbraw/zinc/87/47/62/533874762.db2.gz IPLBTDGUAIIJKI-WBVHZDCISA-N 2 2 288.435 3.050 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc2ccccc2s1 ZINC000131691785 533877313 /nfs/dbraw/zinc/87/73/13/533877313.db2.gz WZYMCWQSKJXFIY-LBPRGKRZSA-N 2 2 271.389 3.449 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423453533 533885112 /nfs/dbraw/zinc/88/51/12/533885112.db2.gz AMPRXDBLPBKSJO-UXLLHSPISA-N 3 2 298.434 3.040 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc2ccccc21 ZINC000449234180 533897821 /nfs/dbraw/zinc/89/78/21/533897821.db2.gz PDIPRHOTBYEOGP-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc2ccccc21 ZINC000449234180 533897825 /nfs/dbraw/zinc/89/78/25/533897825.db2.gz PDIPRHOTBYEOGP-KBXCAEBGSA-N 2 2 298.430 3.421 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000423361031 533963273 /nfs/dbraw/zinc/96/32/73/533963273.db2.gz GLHBLGVOWMRULC-GYXFDVGMSA-N 2 2 294.389 3.044 20 0 CGADLP COc1cc(F)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000449029221 533996266 /nfs/dbraw/zinc/99/62/66/533996266.db2.gz NYGKOIFIELCMBW-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000449029221 533996269 /nfs/dbraw/zinc/99/62/69/533996269.db2.gz NYGKOIFIELCMBW-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000449029221 533996274 /nfs/dbraw/zinc/99/62/74/533996274.db2.gz NYGKOIFIELCMBW-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP COc1cc(F)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000449029221 533996281 /nfs/dbraw/zinc/99/62/81/533996281.db2.gz NYGKOIFIELCMBW-INIZCTEOSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1cc(F)cc(F)c1 ZINC000449305833 534054396 /nfs/dbraw/zinc/05/43/96/534054396.db2.gz UMHJAFLXKBZDFT-LBPRGKRZSA-N 2 2 282.378 3.142 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183194 534123528 /nfs/dbraw/zinc/12/35/28/534123528.db2.gz DZYJWYGMQIRVLY-XHBSWPGZSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(F)cc(F)c1 ZINC000449183194 534123542 /nfs/dbraw/zinc/12/35/42/534123542.db2.gz DZYJWYGMQIRVLY-XHBSWPGZSA-N 2 2 294.389 3.283 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439685 534498466 /nfs/dbraw/zinc/49/84/66/534498466.db2.gz WHLWRYNNUXUTTK-INIZCTEOSA-N 2 2 285.366 3.136 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCC(C)C)CCC2 ZINC000366207447 534510746 /nfs/dbraw/zinc/51/07/46/534510746.db2.gz BMBPVTMJUGKREK-UKRRQHHQSA-N 2 2 263.429 3.483 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CCCCCC1 ZINC000414863586 534549569 /nfs/dbraw/zinc/54/95/69/534549569.db2.gz XRSXNNZZLFTARO-UHFFFAOYSA-N 2 2 298.434 3.014 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC000156575994 522049653 /nfs/dbraw/zinc/04/96/53/522049653.db2.gz GFQHRIAUYCWNNT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC000156575994 522049665 /nfs/dbraw/zinc/04/96/65/522049665.db2.gz GFQHRIAUYCWNNT-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000151707708 522699714 /nfs/dbraw/zinc/69/97/14/522699714.db2.gz CZQFQJKFSGMAFZ-ZVZYQTTQSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000049592557 524315374 /nfs/dbraw/zinc/31/53/74/524315374.db2.gz USNYBFPYUUNPDU-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000049592557 524315382 /nfs/dbraw/zinc/31/53/82/524315382.db2.gz USNYBFPYUUNPDU-NVXWUHKLSA-N 2 2 260.425 3.287 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157483948 524784017 /nfs/dbraw/zinc/78/40/17/524784017.db2.gz RLRDINVSXCNWMS-JCURWCKSSA-N 2 2 282.387 3.491 20 0 CGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCO1 ZINC000436472309 534816204 /nfs/dbraw/zinc/81/62/04/534816204.db2.gz ZWGGXCDYWYVBAQ-NQKKVCCDSA-N 2 2 291.439 3.055 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000087759079 524961000 /nfs/dbraw/zinc/96/10/00/524961000.db2.gz CHXWIJZWLFRQCU-JTQLQIEISA-N 2 2 284.190 3.368 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000156438998 525455387 /nfs/dbraw/zinc/45/53/87/525455387.db2.gz BLMQWZBOOBISMJ-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000150841248 526336296 /nfs/dbraw/zinc/33/62/96/526336296.db2.gz OPOPGENQIWRZHJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000150841248 526336300 /nfs/dbraw/zinc/33/63/00/526336300.db2.gz OPOPGENQIWRZHJ-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000415058624 526697219 /nfs/dbraw/zinc/69/72/19/526697219.db2.gz WBXDKRPGPJYXLA-LBPRGKRZSA-N 2 2 295.477 3.335 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000365052125 527480294 /nfs/dbraw/zinc/48/02/94/527480294.db2.gz GHMZPUFBNIVCNO-OKZBNKHCSA-N 2 2 294.483 3.047 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032349 527757351 /nfs/dbraw/zinc/75/73/51/527757351.db2.gz XFFTWBMNYYDMNM-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032349 527757357 /nfs/dbraw/zinc/75/73/57/527757357.db2.gz XFFTWBMNYYDMNM-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032349 527757362 /nfs/dbraw/zinc/75/73/62/527757362.db2.gz XFFTWBMNYYDMNM-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032349 527757365 /nfs/dbraw/zinc/75/73/65/527757365.db2.gz XFFTWBMNYYDMNM-GDBMZVCRSA-N 2 2 278.415 3.439 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccoc1 ZINC000414128414 527847278 /nfs/dbraw/zinc/84/72/78/527847278.db2.gz RXBRAUQQHPLORY-INIZCTEOSA-N 2 2 275.396 3.323 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067609 527973852 /nfs/dbraw/zinc/97/38/52/527973852.db2.gz XRCFTUWWNJLRCZ-GOEBONIOSA-N 2 2 278.465 3.099 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000358067609 527973859 /nfs/dbraw/zinc/97/38/59/527973859.db2.gz XRCFTUWWNJLRCZ-GOEBONIOSA-N 2 2 278.465 3.099 20 0 CGADLP CC1=CC[N@H+](CCNc2cc[nH+]c3ccsc32)CC1 ZINC000358341767 528119052 /nfs/dbraw/zinc/11/90/52/528119052.db2.gz JIDCASKWHRFKQN-UHFFFAOYSA-N 2 2 273.405 3.360 20 0 CGADLP CC1=CC[N@@H+](CCNc2cc[nH+]c3ccsc32)CC1 ZINC000358341767 528119060 /nfs/dbraw/zinc/11/90/60/528119060.db2.gz JIDCASKWHRFKQN-UHFFFAOYSA-N 2 2 273.405 3.360 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449381150 528155910 /nfs/dbraw/zinc/15/59/10/528155910.db2.gz XZBCGNSLXRENMJ-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)OC ZINC000449381150 528155913 /nfs/dbraw/zinc/15/59/13/528155913.db2.gz XZBCGNSLXRENMJ-CGTJXYLNSA-N 2 2 290.451 3.227 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427842348 528241595 /nfs/dbraw/zinc/24/15/95/528241595.db2.gz KCTBNUAYNZYPPX-HOTGVXAUSA-N 2 2 269.392 3.329 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cs1 ZINC000425934938 528301741 /nfs/dbraw/zinc/30/17/41/528301741.db2.gz BEGZQDGCEBWXKG-VXGBXAGGSA-N 2 2 269.458 3.115 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000423235422 528334282 /nfs/dbraw/zinc/33/42/82/528334282.db2.gz AWAQOOVFHCLHSU-SNVBAGLBSA-N 2 2 269.458 3.009 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000423230161 528331112 /nfs/dbraw/zinc/33/11/12/528331112.db2.gz CTIVVHCXJSVUQA-LBPRGKRZSA-N 2 2 284.831 3.387 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423248896 528331722 /nfs/dbraw/zinc/33/17/22/528331722.db2.gz RHFLFXSXHWWXSP-ZDUSSCGKSA-N 2 2 272.392 3.109 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000423253472 528334346 /nfs/dbraw/zinc/33/43/46/528334346.db2.gz ZDWLTHOFELPPTN-GFCCVEGCSA-N 2 2 252.427 3.059 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000423390063 528421906 /nfs/dbraw/zinc/42/19/06/528421906.db2.gz VQAPPGPMUDUUEA-YPMHNXCESA-N 2 2 260.381 3.390 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000423390416 528422501 /nfs/dbraw/zinc/42/25/01/528422501.db2.gz VZRODCPGOIPKGY-VXGBXAGGSA-N 2 2 286.366 3.245 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244028 528475411 /nfs/dbraw/zinc/47/54/11/528475411.db2.gz XBPNOVUWEMJBPH-WCQYABFASA-N 2 2 282.815 3.141 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000423307940 528516083 /nfs/dbraw/zinc/51/60/83/528516083.db2.gz IFBRGOREZVQSMG-CYBMUJFWSA-N 2 2 266.454 3.449 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000423314249 528516240 /nfs/dbraw/zinc/51/62/40/528516240.db2.gz VSYZFROPOFSNRI-CQSZACIVSA-N 2 2 254.805 3.380 20 0 CGADLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1occc1C ZINC000412024265 528587000 /nfs/dbraw/zinc/58/70/00/528587000.db2.gz FMLGSSBUZNYLHZ-OAHLLOKOSA-N 2 2 264.413 3.284 20 0 CGADLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1occc1C ZINC000412024265 528587003 /nfs/dbraw/zinc/58/70/03/528587003.db2.gz FMLGSSBUZNYLHZ-OAHLLOKOSA-N 2 2 264.413 3.284 20 0 CGADLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1occc1C ZINC000412024265 528587008 /nfs/dbraw/zinc/58/70/08/528587008.db2.gz FMLGSSBUZNYLHZ-OAHLLOKOSA-N 2 2 264.413 3.284 20 0 CGADLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1occc1C ZINC000412024265 528587013 /nfs/dbraw/zinc/58/70/13/528587013.db2.gz FMLGSSBUZNYLHZ-OAHLLOKOSA-N 2 2 264.413 3.284 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000479441613 528636774 /nfs/dbraw/zinc/63/67/74/528636774.db2.gz UUHXOXMZGMUYSH-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000479441613 528636779 /nfs/dbraw/zinc/63/67/79/528636779.db2.gz UUHXOXMZGMUYSH-RDTXWAMCSA-N 2 2 272.436 3.211 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423354639 528726733 /nfs/dbraw/zinc/72/67/33/528726733.db2.gz DDGCCNCFJHBTQK-ZQIUZPCESA-N 2 2 276.424 3.124 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423304756 528955445 /nfs/dbraw/zinc/95/54/45/528955445.db2.gz ZILBWIWZDGJFCT-UONOGXRCSA-N 2 2 264.413 3.172 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000177796786 529018049 /nfs/dbraw/zinc/01/80/49/529018049.db2.gz ZQQKHEGRYWGAIH-WMZOPIPTSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000177796786 529018052 /nfs/dbraw/zinc/01/80/52/529018052.db2.gz ZQQKHEGRYWGAIH-WMZOPIPTSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368103049 529019934 /nfs/dbraw/zinc/01/99/34/529019934.db2.gz RRTOHBBWXLCXJW-HUUCEWRRSA-N 2 2 269.392 3.398 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368103049 529019939 /nfs/dbraw/zinc/01/99/39/529019939.db2.gz RRTOHBBWXLCXJW-HUUCEWRRSA-N 2 2 269.392 3.398 20 0 CGADLP CCc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000364913002 529168333 /nfs/dbraw/zinc/16/83/33/529168333.db2.gz DGCUOGRYTMVKOL-UHFFFAOYSA-N 2 2 269.392 3.352 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358174042 529206373 /nfs/dbraw/zinc/20/63/73/529206373.db2.gz WIIGXEJXVYLRKD-LSDHHAIUSA-N 2 2 275.440 3.070 20 0 CGADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000368024156 529289916 /nfs/dbraw/zinc/28/99/16/529289916.db2.gz VIMCVEIRCBQZHU-GDBMZVCRSA-N 2 2 275.440 3.320 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494393793 535821026 /nfs/dbraw/zinc/82/10/26/535821026.db2.gz SVPODKRMJVZKGC-KFWWJZLASA-N 2 2 261.413 3.004 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125702 536464706 /nfs/dbraw/zinc/46/47/06/536464706.db2.gz BSJHUAZVOZHWNZ-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125702 536464707 /nfs/dbraw/zinc/46/47/07/536464707.db2.gz BSJHUAZVOZHWNZ-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125702 536464709 /nfs/dbraw/zinc/46/47/09/536464709.db2.gz BSJHUAZVOZHWNZ-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125702 536464710 /nfs/dbraw/zinc/46/47/10/536464710.db2.gz BSJHUAZVOZHWNZ-CJNGLKHVSA-N 2 2 286.444 3.427 20 0 CGADLP c1ccc2cc(C[NH2+]C[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000258964373 572329509 /nfs/dbraw/zinc/32/95/09/572329509.db2.gz JRSKFFUZOFAJSX-KRWDZBQOSA-N 2 2 254.377 3.072 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000731450671 572413332 /nfs/dbraw/zinc/41/33/32/572413332.db2.gz RSEKUGSZLADMCQ-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000731450671 572413334 /nfs/dbraw/zinc/41/33/34/572413334.db2.gz RSEKUGSZLADMCQ-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000070175602 572509853 /nfs/dbraw/zinc/50/98/53/572509853.db2.gz UIAHUDNIKATGDU-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000070175602 572509856 /nfs/dbraw/zinc/50/98/56/572509856.db2.gz UIAHUDNIKATGDU-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)C)CC2)cc1 ZINC000742377332 572570558 /nfs/dbraw/zinc/57/05/58/572570558.db2.gz AZHZCSBXHSGTLF-UHFFFAOYSA-N 2 2 289.467 3.357 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)c[nH+]1 ZINC000891843347 618333857 /nfs/dbraw/zinc/33/38/57/618333857.db2.gz ZNINXEOPZCMUFV-UHFFFAOYSA-N 2 2 297.402 3.045 20 0 CGADLP CCC[C@](C)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000934182153 618519325 /nfs/dbraw/zinc/51/93/25/618519325.db2.gz KCPLDXZBMKFNFS-INIZCTEOSA-N 2 2 257.381 3.188 20 0 CGADLP FC1(F)CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926558609 618741089 /nfs/dbraw/zinc/74/10/89/618741089.db2.gz PZGWYCPOIRZBBK-ZIAGYGMSSA-N 2 2 272.383 3.028 20 0 CGADLP FC1(F)CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926558609 618741094 /nfs/dbraw/zinc/74/10/94/618741094.db2.gz PZGWYCPOIRZBBK-ZIAGYGMSSA-N 2 2 272.383 3.028 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716514 618836817 /nfs/dbraw/zinc/83/68/17/618836817.db2.gz TURDWMBBHKLMJG-YOEHRIQHSA-N 2 2 290.451 3.049 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000926716514 618836819 /nfs/dbraw/zinc/83/68/19/618836819.db2.gz TURDWMBBHKLMJG-YOEHRIQHSA-N 2 2 290.451 3.049 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])n1 ZINC000925648483 619106360 /nfs/dbraw/zinc/10/63/60/619106360.db2.gz UZYJOVCWLRQUAJ-ZLDLUXBVSA-N 2 2 289.448 3.233 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])s1 ZINC000925647575 619106386 /nfs/dbraw/zinc/10/63/86/619106386.db2.gz DMZPGSWDSCNBHK-KYOSRNDESA-N 2 2 289.448 3.233 20 0 CGADLP CCCSC[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000893361000 619136184 /nfs/dbraw/zinc/13/61/84/619136184.db2.gz LXZXZGGKLYCKAA-ZDUSSCGKSA-N 2 2 267.442 3.005 20 0 CGADLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccccc1 ZINC000925691838 619140701 /nfs/dbraw/zinc/14/07/01/619140701.db2.gz NERSFFNKRDIJCG-PBHICJAKSA-N 2 2 283.419 3.037 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccccc1 ZINC000925736126 619210504 /nfs/dbraw/zinc/21/05/04/619210504.db2.gz ZIGFNZNSYZLOBI-WCQYABFASA-N 2 2 270.367 3.346 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(SC)o2)CC1 ZINC000893966806 619340980 /nfs/dbraw/zinc/34/09/80/619340980.db2.gz FSNDDURKZGSQHL-UHFFFAOYSA-N 2 2 282.453 3.308 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)o2)CC1 ZINC000893966806 619340982 /nfs/dbraw/zinc/34/09/82/619340982.db2.gz FSNDDURKZGSQHL-UHFFFAOYSA-N 2 2 282.453 3.308 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000895115982 619736469 /nfs/dbraw/zinc/73/64/69/619736469.db2.gz QIABHWFTGAOHOA-MTSZKFMLSA-N 2 2 285.435 3.347 20 0 CGADLP Cc1nc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377007 619816103 /nfs/dbraw/zinc/81/61/03/619816103.db2.gz DQTRRHKMNGBNIE-XJKSGUPXSA-N 2 2 293.430 3.081 20 0 CGADLP Cc1nc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377007 619816107 /nfs/dbraw/zinc/81/61/07/619816107.db2.gz DQTRRHKMNGBNIE-XJKSGUPXSA-N 2 2 293.430 3.081 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032062 620469830 /nfs/dbraw/zinc/46/98/30/620469830.db2.gz URPYONABTIHUSV-SWLSCSKDSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032062 620469831 /nfs/dbraw/zinc/46/98/31/620469831.db2.gz URPYONABTIHUSV-SWLSCSKDSA-N 2 2 286.410 3.274 20 0 CGADLP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307436 620509673 /nfs/dbraw/zinc/50/96/73/620509673.db2.gz XJNXONGLPXAVRI-UHFFFAOYSA-N 2 2 294.487 3.100 20 0 CGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307436 620509676 /nfs/dbraw/zinc/50/96/76/620509676.db2.gz XJNXONGLPXAVRI-UHFFFAOYSA-N 2 2 294.487 3.100 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924648273 620555876 /nfs/dbraw/zinc/55/58/76/620555876.db2.gz JPNYBMRWMZCFKV-KBPBESRZSA-N 2 2 296.374 3.277 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[N@@H+]1CCCC[C@H]1C ZINC000924659243 620557039 /nfs/dbraw/zinc/55/70/39/620557039.db2.gz DQTSJSHAHPQLRQ-JOCBIADPSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)[N@H+]1CCCC[C@H]1C ZINC000924659243 620557041 /nfs/dbraw/zinc/55/70/41/620557041.db2.gz DQTSJSHAHPQLRQ-JOCBIADPSA-N 2 2 294.483 3.044 20 0 CGADLP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1 ZINC000902405193 621308936 /nfs/dbraw/zinc/30/89/36/621308936.db2.gz JMAZMRFHCWKMAS-LSDHHAIUSA-N 2 2 282.378 3.204 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474608 621325135 /nfs/dbraw/zinc/32/51/35/621325135.db2.gz GDSCPCMQIZAXTQ-PTNZTPPNSA-N 2 2 256.393 3.026 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470713 621341231 /nfs/dbraw/zinc/34/12/31/621341231.db2.gz GDSCPCMQIZAXTQ-BHQQPIICSA-N 2 2 256.393 3.026 20 0 CGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000902484242 621352608 /nfs/dbraw/zinc/35/26/08/621352608.db2.gz VBTCKTCGMQOBSE-QWHCGFSZSA-N 2 2 293.480 3.205 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cn1 ZINC000902741552 621421406 /nfs/dbraw/zinc/42/14/06/621421406.db2.gz DCPIUKJJHUWVSP-WDEREUQCSA-N 2 2 298.312 3.036 20 0 CGADLP CCN(CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000902786197 621435182 /nfs/dbraw/zinc/43/51/82/621435182.db2.gz LTIGDWNGEVWIHL-OAHLLOKOSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000902794015 621449977 /nfs/dbraw/zinc/44/99/77/621449977.db2.gz RBCDNEATRLWHEY-HYVNUMGLSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000902794015 621449984 /nfs/dbraw/zinc/44/99/84/621449984.db2.gz RBCDNEATRLWHEY-HYVNUMGLSA-N 2 2 294.483 3.044 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CCC1 ZINC000902962844 621507250 /nfs/dbraw/zinc/50/72/50/621507250.db2.gz AKOWJWIPEGDXQG-SJORKVTESA-N 2 2 294.483 3.046 20 0 CGADLP CSC1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902975361 621518415 /nfs/dbraw/zinc/51/84/15/621518415.db2.gz GEHKQIIWHRKAHJ-ZDUSSCGKSA-N 2 2 287.432 3.419 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903054705 621545655 /nfs/dbraw/zinc/54/56/55/621545655.db2.gz OONFOCSTHFWYBN-SQNIBIBYSA-N 2 2 294.483 3.046 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903054705 621545660 /nfs/dbraw/zinc/54/56/60/621545660.db2.gz OONFOCSTHFWYBN-SQNIBIBYSA-N 2 2 294.483 3.046 20 0 CGADLP COC1CC(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903045492 621554082 /nfs/dbraw/zinc/55/40/82/621554082.db2.gz UHQMFLGOIHPWJR-KSTDHSDQSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903069985 621567673 /nfs/dbraw/zinc/56/76/73/621567673.db2.gz NOJAJMDNFZGGLZ-GLRLOKQVSA-N 2 2 299.418 3.335 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(F)ccc1OC ZINC000903370983 621716890 /nfs/dbraw/zinc/71/68/90/621716890.db2.gz MRKBPYFNVIPIRQ-INIZCTEOSA-N 2 2 294.414 3.359 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)o1 ZINC000903813296 621814877 /nfs/dbraw/zinc/81/48/77/621814877.db2.gz ZWJROMJYDLASGM-HNNXBMFYSA-N 2 2 291.439 3.282 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)o1 ZINC000903813296 621814879 /nfs/dbraw/zinc/81/48/79/621814879.db2.gz ZWJROMJYDLASGM-HNNXBMFYSA-N 2 2 291.439 3.282 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890132 621823175 /nfs/dbraw/zinc/82/31/75/621823175.db2.gz YNOBXVQUOOBAGO-LSDHHAIUSA-N 2 2 282.378 3.066 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890132 621823176 /nfs/dbraw/zinc/82/31/76/621823176.db2.gz YNOBXVQUOOBAGO-LSDHHAIUSA-N 2 2 282.378 3.066 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H]([NH3+])CC(F)F)C2)c1 ZINC000903904033 621831619 /nfs/dbraw/zinc/83/16/19/621831619.db2.gz ZNEUQPWGFCOBKY-DZGCQCFKSA-N 2 2 282.378 3.075 20 0 CGADLP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)c1 ZINC000903904033 621831620 /nfs/dbraw/zinc/83/16/20/621831620.db2.gz ZNEUQPWGFCOBKY-DZGCQCFKSA-N 2 2 282.378 3.075 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903908334 621832329 /nfs/dbraw/zinc/83/23/29/621832329.db2.gz HBDFAKQPWIURMJ-KYOSRNDESA-N 2 2 298.377 3.061 20 0 CGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H]([NH3+])CC(F)F)c1 ZINC000903908334 621832331 /nfs/dbraw/zinc/83/23/31/621832331.db2.gz HBDFAKQPWIURMJ-KYOSRNDESA-N 2 2 298.377 3.061 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OC1CCCC1)CC(F)F ZINC000903921253 621833300 /nfs/dbraw/zinc/83/33/00/621833300.db2.gz NUSSZAFOLZJKHD-ZDUSSCGKSA-N 2 2 298.377 3.080 20 0 CGADLP C[C@H](C[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331205 621908232 /nfs/dbraw/zinc/90/82/32/621908232.db2.gz FYGDQEINJLSIFY-CHWSQXEVSA-N 2 2 283.485 3.332 20 0 CGADLP C[C@H](C[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C)c1nccs1 ZINC000904331205 621908237 /nfs/dbraw/zinc/90/82/37/621908237.db2.gz FYGDQEINJLSIFY-CHWSQXEVSA-N 2 2 283.485 3.332 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000904385617 621917572 /nfs/dbraw/zinc/91/75/72/621917572.db2.gz ADMTWNXDXSWUTH-CHWSQXEVSA-N 2 2 281.469 3.086 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000904385617 621917575 /nfs/dbraw/zinc/91/75/75/621917575.db2.gz ADMTWNXDXSWUTH-CHWSQXEVSA-N 2 2 281.469 3.086 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431093 621921245 /nfs/dbraw/zinc/92/12/45/621921245.db2.gz OIRDEKOZHBTRMA-RHSMWYFYSA-N 2 2 276.399 3.147 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(F)cc1 ZINC000904431093 621921247 /nfs/dbraw/zinc/92/12/47/621921247.db2.gz OIRDEKOZHBTRMA-RHSMWYFYSA-N 2 2 276.399 3.147 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000769869547 625579011 /nfs/dbraw/zinc/57/90/11/625579011.db2.gz UOQUVEFBJMCDJP-CQSZACIVSA-N 2 2 293.455 3.318 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157484411 622908777 /nfs/dbraw/zinc/90/87/77/622908777.db2.gz RLRDINVSXCNWMS-JLZZUVOBSA-N 2 2 282.387 3.491 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000229805395 623163839 /nfs/dbraw/zinc/16/38/39/623163839.db2.gz FTXOQCUZKCFYIK-OAHLLOKOSA-N 2 2 293.361 3.366 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)[NH+]1CCCC1 ZINC000151686055 623557833 /nfs/dbraw/zinc/55/78/33/623557833.db2.gz CYYYKGJIVSMCII-KGLIPLIRSA-N 2 2 272.502 3.371 20 0 CGADLP c1cn(CC[NH2+]Cc2ccccc2-c2ccccc2)c[nH+]1 ZINC000917392960 624264496 /nfs/dbraw/zinc/26/44/96/624264496.db2.gz VZMPYPADBDCMPS-UHFFFAOYSA-N 2 2 277.371 3.340 20 0 CGADLP CCCCC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000179922883 624696174 /nfs/dbraw/zinc/69/61/74/624696174.db2.gz IKFQDQNLVLGKHT-CQSZACIVSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000186476931 625874334 /nfs/dbraw/zinc/87/43/34/625874334.db2.gz GHCWTVJVZBNYER-HNNXBMFYSA-N 2 2 287.451 3.429 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000922293093 625993517 /nfs/dbraw/zinc/99/35/17/625993517.db2.gz LKOJEHHGMHFFPX-FVQBIDKESA-N 2 2 282.497 3.267 20 0 CGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000922293093 625993520 /nfs/dbraw/zinc/99/35/20/625993520.db2.gz LKOJEHHGMHFFPX-FVQBIDKESA-N 2 2 282.497 3.267 20 0 CGADLP CC[C@H]1C[N@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000923346497 626148759 /nfs/dbraw/zinc/14/87/59/626148759.db2.gz ZGCSZVNSYLZBJU-STQMWFEESA-N 2 2 295.496 3.308 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2nc(C)c(C(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000923346497 626148762 /nfs/dbraw/zinc/14/87/62/626148762.db2.gz ZGCSZVNSYLZBJU-STQMWFEESA-N 2 2 295.496 3.308 20 0 CGADLP Cc1nc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)sc1C(C)(C)C ZINC000923368302 626149523 /nfs/dbraw/zinc/14/95/23/626149523.db2.gz AKHYQJNFCKRXDZ-GFCCVEGCSA-N 2 2 295.496 3.227 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000754796689 626587823 /nfs/dbraw/zinc/58/78/23/626587823.db2.gz YTQOQEWPQZLAOO-MAUKXSAKSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000754796689 626587824 /nfs/dbraw/zinc/58/78/24/626587824.db2.gz YTQOQEWPQZLAOO-MAUKXSAKSA-N 2 2 272.436 3.446 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)s1 ZINC000766275648 627310921 /nfs/dbraw/zinc/31/09/21/627310921.db2.gz YGTXALSMNOYDBR-AAEUAGOBSA-N 2 2 266.454 3.500 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)s1 ZINC000766275648 627310924 /nfs/dbraw/zinc/31/09/24/627310924.db2.gz YGTXALSMNOYDBR-AAEUAGOBSA-N 2 2 266.454 3.500 20 0 CGADLP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cnc1Cl ZINC000769482508 627559577 /nfs/dbraw/zinc/55/95/77/627559577.db2.gz FAMFQNKCVVACTD-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cnc1Cl ZINC000769482508 627559578 /nfs/dbraw/zinc/55/95/78/627559578.db2.gz FAMFQNKCVVACTD-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cnc1Cl ZINC000769482508 627559580 /nfs/dbraw/zinc/55/95/80/627559580.db2.gz FAMFQNKCVVACTD-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cnc1Cl ZINC000769482508 627559581 /nfs/dbraw/zinc/55/95/81/627559581.db2.gz FAMFQNKCVVACTD-HNNXBMFYSA-N 2 2 295.858 3.350 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353153 627615098 /nfs/dbraw/zinc/61/50/98/627615098.db2.gz SAJGKMOAFCCBJG-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353153 627615100 /nfs/dbraw/zinc/61/51/00/627615100.db2.gz SAJGKMOAFCCBJG-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353153 627615102 /nfs/dbraw/zinc/61/51/02/627615102.db2.gz SAJGKMOAFCCBJG-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cncc4ccccc43)CC[C@H]21 ZINC000770353153 627615104 /nfs/dbraw/zinc/61/51/04/627615104.db2.gz SAJGKMOAFCCBJG-QFBILLFUSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000775953017 628153303 /nfs/dbraw/zinc/15/33/03/628153303.db2.gz ZHFJSLHSJZWGIZ-IAGOWNOFSA-N 2 2 274.452 3.329 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000776035972 628160206 /nfs/dbraw/zinc/16/02/06/628160206.db2.gz PEETUNQTBIKPOY-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776163178 628173135 /nfs/dbraw/zinc/17/31/35/628173135.db2.gz QAAINUZQNZWJKV-CXAGYDPISA-N 2 2 276.399 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776163178 628173138 /nfs/dbraw/zinc/17/31/38/628173138.db2.gz QAAINUZQNZWJKV-CXAGYDPISA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000776363670 628198296 /nfs/dbraw/zinc/19/82/96/628198296.db2.gz JAKCENPGOYNHRY-KGLIPLIRSA-N 2 2 264.388 3.003 20 0 CGADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000776363670 628198298 /nfs/dbraw/zinc/19/82/98/628198298.db2.gz JAKCENPGOYNHRY-KGLIPLIRSA-N 2 2 264.388 3.003 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000777464678 628274636 /nfs/dbraw/zinc/27/46/36/628274636.db2.gz ZTYRKLQOZYUDOD-SWLSCSKDSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000777464678 628274641 /nfs/dbraw/zinc/27/46/41/628274641.db2.gz ZTYRKLQOZYUDOD-SWLSCSKDSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000777464678 628274642 /nfs/dbraw/zinc/27/46/42/628274642.db2.gz ZTYRKLQOZYUDOD-SWLSCSKDSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000777464678 628274644 /nfs/dbraw/zinc/27/46/44/628274644.db2.gz ZTYRKLQOZYUDOD-SWLSCSKDSA-N 2 2 296.842 3.121 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@H]3CCCC[C@@H]3C1)CC2 ZINC000779064256 628386181 /nfs/dbraw/zinc/38/61/81/628386181.db2.gz HXBCZVMGPUOFQN-KLHDSHLOSA-N 2 2 273.424 3.146 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000783239690 628692561 /nfs/dbraw/zinc/69/25/61/628692561.db2.gz METOBYDRFOPPKX-CABCVRRESA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000783242407 628693113 /nfs/dbraw/zinc/69/31/13/628693113.db2.gz DAMVIIVUCQRPOH-XEZPLFJOSA-N 2 2 255.365 3.321 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000863544983 629604035 /nfs/dbraw/zinc/60/40/35/629604035.db2.gz GGCZEXIDUIPISK-SOUVJXGZSA-N 2 2 276.424 3.103 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592497 629965327 /nfs/dbraw/zinc/96/53/27/629965327.db2.gz ZUYADYKIUBITGJ-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592497 629965335 /nfs/dbraw/zinc/96/53/35/629965335.db2.gz ZUYADYKIUBITGJ-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592497 629965338 /nfs/dbraw/zinc/96/53/38/629965338.db2.gz ZUYADYKIUBITGJ-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)nc(Cl)c2)C[C@H]1C ZINC000797592497 629965339 /nfs/dbraw/zinc/96/53/39/629965339.db2.gz ZUYADYKIUBITGJ-HIFRSBDPSA-N 2 2 295.858 3.348 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800242926 630255772 /nfs/dbraw/zinc/25/57/72/630255772.db2.gz JXIGMRGTAHAXSM-NUJGCVRESA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000800242926 630255775 /nfs/dbraw/zinc/25/57/75/630255775.db2.gz JXIGMRGTAHAXSM-NUJGCVRESA-N 2 2 287.451 3.182 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000806156075 630550561 /nfs/dbraw/zinc/55/05/61/630550561.db2.gz XIRKIHDVCLARJZ-WMLDXEAASA-N 2 2 273.424 3.039 20 0 CGADLP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000817888399 632229079 /nfs/dbraw/zinc/22/90/79/632229079.db2.gz LDGFWGVGRLFYKB-RHSMWYFYSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccnc1Cl ZINC000817959491 632254679 /nfs/dbraw/zinc/25/46/79/632254679.db2.gz RTOCYTFZKVWBEM-FZMZJTMJSA-N 2 2 281.831 3.293 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865814229 632899627 /nfs/dbraw/zinc/89/96/27/632899627.db2.gz GAVZXUPPLJCQOX-UHFFFAOYSA-N 2 2 287.407 3.328 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822733407 633013143 /nfs/dbraw/zinc/01/31/43/633013143.db2.gz AUQWOVKKAJLUNH-LLVKDONJSA-N 2 2 279.255 3.033 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866215403 633032026 /nfs/dbraw/zinc/03/20/26/633032026.db2.gz JZCXPHDUNORVBS-JTQLQIEISA-N 2 2 290.754 3.029 20 0 CGADLP C([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561973 633194085 /nfs/dbraw/zinc/19/40/85/633194085.db2.gz MVKAHPLNYZDODC-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561973 633194090 /nfs/dbraw/zinc/19/40/90/633194090.db2.gz MVKAHPLNYZDODC-DOTOQJQBSA-N 2 2 292.467 3.085 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872018091 633938276 /nfs/dbraw/zinc/93/82/76/633938276.db2.gz IGRPZFRYYSHSGN-GFCCVEGCSA-N 2 2 280.387 3.056 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000872029974 633949171 /nfs/dbraw/zinc/94/91/71/633949171.db2.gz WTXNJPATPVKMCI-IAGOWNOFSA-N 2 2 294.483 3.188 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCCc3ccccc3C1)C2 ZINC000872074204 633996516 /nfs/dbraw/zinc/99/65/16/633996516.db2.gz YWIDYVHLGFRZOF-DLBZAZTESA-N 2 2 295.430 3.194 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872086060 634012183 /nfs/dbraw/zinc/01/21/83/634012183.db2.gz RHCSTNUQZVSRSQ-BBWFWOEESA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223167 634291626 /nfs/dbraw/zinc/29/16/26/634291626.db2.gz ILHKVJQMPOICNE-INIZCTEOSA-N 2 2 295.496 3.463 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223167 634291632 /nfs/dbraw/zinc/29/16/32/634291632.db2.gz ILHKVJQMPOICNE-INIZCTEOSA-N 2 2 295.496 3.463 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230839 634292789 /nfs/dbraw/zinc/29/27/89/634292789.db2.gz YOGTWLIPDSNJPE-KBPBESRZSA-N 2 2 284.325 3.080 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000877006765 634947892 /nfs/dbraw/zinc/94/78/92/634947892.db2.gz QHCVYFSRGRAIFR-LLVKDONJSA-N 2 2 288.222 3.057 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(Cl)c(F)c1 ZINC000877526947 635071663 /nfs/dbraw/zinc/07/16/63/635071663.db2.gz HADBCEYARKXGFJ-UHFFFAOYSA-N 2 2 287.810 3.038 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(Cl)c(F)c1 ZINC000877526947 635071666 /nfs/dbraw/zinc/07/16/66/635071666.db2.gz HADBCEYARKXGFJ-UHFFFAOYSA-N 2 2 287.810 3.038 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000877676236 635142626 /nfs/dbraw/zinc/14/26/26/635142626.db2.gz ZJKCVWVBIJQBID-GFCCVEGCSA-N 2 2 291.266 3.131 20 0 CGADLP C[N@@H+](Cc1cc(C(F)(F)F)co1)C[C@H]1CCC[NH+](C)C1 ZINC000878125107 635369321 /nfs/dbraw/zinc/36/93/21/635369321.db2.gz LTCJACVZHVQKFW-NSHDSACASA-N 2 2 290.329 3.072 20 0 CGADLP C[N@H+](Cc1cc(C(F)(F)F)co1)C[C@H]1CCC[NH+](C)C1 ZINC000878125107 635369328 /nfs/dbraw/zinc/36/93/28/635369328.db2.gz LTCJACVZHVQKFW-NSHDSACASA-N 2 2 290.329 3.072 20 0 CGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C[C@H]1CCC[N@H+](C)C1 ZINC000878125107 635369338 /nfs/dbraw/zinc/36/93/38/635369338.db2.gz LTCJACVZHVQKFW-NSHDSACASA-N 2 2 290.329 3.072 20 0 CGADLP C[NH+](Cc1cc(C(F)(F)F)co1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125107 635369343 /nfs/dbraw/zinc/36/93/43/635369343.db2.gz LTCJACVZHVQKFW-NSHDSACASA-N 2 2 290.329 3.072 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581793 635815480 /nfs/dbraw/zinc/81/54/80/635815480.db2.gz OHMIXHNQAQQGEK-CABCVRRESA-N 2 2 280.362 3.150 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581793 635815486 /nfs/dbraw/zinc/81/54/86/635815486.db2.gz OHMIXHNQAQQGEK-CABCVRRESA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581793 635815489 /nfs/dbraw/zinc/81/54/89/635815489.db2.gz OHMIXHNQAQQGEK-CABCVRRESA-N 2 2 280.362 3.150 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]21 ZINC000879581793 635815493 /nfs/dbraw/zinc/81/54/93/635815493.db2.gz OHMIXHNQAQQGEK-CABCVRRESA-N 2 2 280.362 3.150 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130141 635919418 /nfs/dbraw/zinc/91/94/18/635919418.db2.gz COFCOFUCKKUJTP-IRXDYDNUSA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCc1ccc(Cl)cc1 ZINC000880130141 635919422 /nfs/dbraw/zinc/91/94/22/635919422.db2.gz COFCOFUCKKUJTP-IRXDYDNUSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCc1ccc(Cl)cc1 ZINC000880130141 635919426 /nfs/dbraw/zinc/91/94/26/635919426.db2.gz COFCOFUCKKUJTP-IRXDYDNUSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCc1ccc(Cl)cc1 ZINC000880130141 635919431 /nfs/dbraw/zinc/91/94/31/635919431.db2.gz COFCOFUCKKUJTP-IRXDYDNUSA-N 2 2 292.854 3.441 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000883265970 636637701 /nfs/dbraw/zinc/63/77/01/636637701.db2.gz OZFXTAGOBPTGBW-SUMWQHHRSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000883265970 636637706 /nfs/dbraw/zinc/63/77/06/636637706.db2.gz OZFXTAGOBPTGBW-SUMWQHHRSA-N 2 2 288.435 3.145 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848928100 636700100 /nfs/dbraw/zinc/70/01/00/636700100.db2.gz VYCJWMMQXXLWLF-SJORKVTESA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848928100 636700103 /nfs/dbraw/zinc/70/01/03/636700103.db2.gz VYCJWMMQXXLWLF-SJORKVTESA-N 2 2 294.389 3.114 20 0 CGADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883386530 636728615 /nfs/dbraw/zinc/72/86/15/636728615.db2.gz HUDCFYXBQJWBDR-SJORKVTESA-N 2 2 269.392 3.403 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cncs1 ZINC000883387170 636728791 /nfs/dbraw/zinc/72/87/91/636728791.db2.gz SNGZXKMODFYYDD-UKRRQHHQSA-N 2 2 298.415 3.432 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883388409 636730721 /nfs/dbraw/zinc/73/07/21/636730721.db2.gz UWTIHYQCCDHFKB-KURKYZTESA-N 2 2 299.418 3.172 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+]1CCCCC1 ZINC000850426242 637056841 /nfs/dbraw/zinc/05/68/41/637056841.db2.gz SQWITWMIEKMCKQ-NEPJUHHUSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885923045 637313250 /nfs/dbraw/zinc/31/32/50/637313250.db2.gz OMIOJVWRVDIODU-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885923045 637313255 /nfs/dbraw/zinc/31/32/55/637313255.db2.gz OMIOJVWRVDIODU-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)CC1(C)C ZINC000886197898 637456108 /nfs/dbraw/zinc/45/61/08/637456108.db2.gz PXVOYNYJUFFRGL-LLVKDONJSA-N 2 2 272.845 3.364 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cscc2Cl)CC1(C)C ZINC000886197898 637456114 /nfs/dbraw/zinc/45/61/14/637456114.db2.gz PXVOYNYJUFFRGL-LLVKDONJSA-N 2 2 272.845 3.364 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000886715977 637669097 /nfs/dbraw/zinc/66/90/97/637669097.db2.gz KQTHTDVKTBTNJL-UHFFFAOYSA-N 2 2 288.435 3.146 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000222005861 637772616 /nfs/dbraw/zinc/77/26/16/637772616.db2.gz VUFQRYAWDJMQMD-HNNXBMFYSA-N 2 2 278.415 3.078 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000854225826 638027759 /nfs/dbraw/zinc/02/77/59/638027759.db2.gz APJIEVHAVCBSDF-FZWSLVFFSA-N 2 2 294.826 3.060 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1nc2ccccc2s1 ZINC000925499686 638260179 /nfs/dbraw/zinc/26/01/79/638260179.db2.gz SJBBFWKEXTYQQO-LEWSCRJBSA-N 2 2 287.432 3.217 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ccnn1C1CCC1 ZINC000925172521 638468497 /nfs/dbraw/zinc/46/84/97/638468497.db2.gz SXJSYTXKFYXRMP-KBPBESRZSA-N 2 2 299.422 3.033 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCNc1ccccc1)c1ccccc1 ZINC000925504174 638513173 /nfs/dbraw/zinc/51/31/73/638513173.db2.gz MQYMSIOKYKVBKZ-MAUKXSAKSA-N 2 2 283.419 3.167 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C12CCC2 ZINC000925507859 638514440 /nfs/dbraw/zinc/51/44/40/638514440.db2.gz OCFVMNGSVVJEDP-CABCVRRESA-N 2 2 299.443 3.170 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCOC1CCCCC1)c1ccccc1 ZINC000925602054 638542547 /nfs/dbraw/zinc/54/25/47/638542547.db2.gz QYCOIRKLFCMAEF-YOEHRIQHSA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(O)cc(F)c1 ZINC000926339752 638764245 /nfs/dbraw/zinc/76/42/45/638764245.db2.gz QHXOMJMHLOSKNB-UWTIGNOOSA-N 2 2 292.398 3.199 20 0 CGADLP c1cc2cc(CC[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000926356765 638765855 /nfs/dbraw/zinc/76/58/55/638765855.db2.gz DOIBSWWZVMUOAQ-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2cc(CC[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2[nH]1 ZINC000926356765 638765857 /nfs/dbraw/zinc/76/58/57/638765857.db2.gz DOIBSWWZVMUOAQ-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926807017 638814352 /nfs/dbraw/zinc/81/43/52/638814352.db2.gz JZEAEKPOJJNNAT-OIISXLGYSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926807017 638814354 /nfs/dbraw/zinc/81/43/54/638814354.db2.gz JZEAEKPOJJNNAT-OIISXLGYSA-N 2 2 288.435 3.363 20 0 CGADLP CC(F)(F)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129844 638976877 /nfs/dbraw/zinc/97/68/77/638976877.db2.gz UMAIVXZUGMXXSG-UHFFFAOYSA-N 2 2 283.366 3.393 20 0 CGADLP Cc1[nH]c(C[NH2+][C@H](c2ccccn2)C2CCC2)c(C)[nH+]1 ZINC000931173573 639120590 /nfs/dbraw/zinc/12/05/90/639120590.db2.gz UGBJWZYHJLNIDA-INIZCTEOSA-N 2 2 270.380 3.053 20 0 CGADLP Cc1ccc(C)c(OCC[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931348265 639138702 /nfs/dbraw/zinc/13/87/02/639138702.db2.gz FKJIMNJNKCOSRV-UHFFFAOYSA-N 2 2 290.451 3.098 20 0 CGADLP Cc1ccc2ncc(C[NH+]3CCC(C)([NH+](C)C)CC3)cc2c1 ZINC000931354578 639139276 /nfs/dbraw/zinc/13/92/76/639139276.db2.gz KYBAWHQWIKFLBH-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000932804314 639381562 /nfs/dbraw/zinc/38/15/62/639381562.db2.gz RTKXXFWKVSEVRQ-AGUYFDCRSA-N 2 2 283.366 3.171 20 0 CGADLP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000932804314 639381570 /nfs/dbraw/zinc/38/15/70/639381570.db2.gz RTKXXFWKVSEVRQ-AGUYFDCRSA-N 2 2 283.366 3.171 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000157348905 639988923 /nfs/dbraw/zinc/98/89/23/639988923.db2.gz XTAQMBPCCADUMH-BRWVUGGUSA-N 2 2 280.371 3.245 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415142574 640860016 /nfs/dbraw/zinc/86/00/16/640860016.db2.gz ZGTJGVJJWBQWJY-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000415142574 640860020 /nfs/dbraw/zinc/86/00/20/640860020.db2.gz ZGTJGVJJWBQWJY-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP c1ccc2cc(CC[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420404939 640911332 /nfs/dbraw/zinc/91/13/32/640911332.db2.gz PAMXOVQOKJPJSX-IBGZPJMESA-N 2 2 280.415 3.210 20 0 CGADLP c1ccc2cc(CC[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC000420404939 640911338 /nfs/dbraw/zinc/91/13/38/640911338.db2.gz PAMXOVQOKJPJSX-IBGZPJMESA-N 2 2 280.415 3.210 20 0 CGADLP Cc1[nH+]ccn1CCNc1[nH+]ccc2c(C)cccc21 ZINC001156007567 805639465 /nfs/dbraw/zinc/63/94/65/805639465.db2.gz SKXZEHYWDPBIID-UHFFFAOYSA-N 2 2 266.348 3.160 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc(C2CCCCC2)[nH+]c(C)n1 ZINC001156010609 805639653 /nfs/dbraw/zinc/63/96/53/805639653.db2.gz MNZZLZFPTGYRBF-UHFFFAOYSA-N 2 2 299.422 3.450 20 0 CGADLP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC001157692059 805853524 /nfs/dbraw/zinc/85/35/24/805853524.db2.gz UBQNPLAPXSRVNT-IYBDPMFKSA-N 2 2 281.403 3.013 20 0 CGADLP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC001157692059 805853532 /nfs/dbraw/zinc/85/35/32/805853532.db2.gz UBQNPLAPXSRVNT-IYBDPMFKSA-N 2 2 281.403 3.013 20 0 CGADLP Cc1cc2[nH]ccc2c(NCCc2cn3ccccc3[nH+]2)[nH+]1 ZINC001158145973 805924681 /nfs/dbraw/zinc/92/46/81/805924681.db2.gz UQFCARZJGGAHFQ-UHFFFAOYSA-N 2 2 291.358 3.174 20 0 CGADLP Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC001159395107 806094473 /nfs/dbraw/zinc/09/44/73/806094473.db2.gz COCAWPPMVYEZPS-UHFFFAOYSA-N 2 2 290.455 3.465 20 0 CGADLP CCCc1cc[nH+]c(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001159408340 806095865 /nfs/dbraw/zinc/09/58/65/806095865.db2.gz AYADDRIUCMTWRE-UHFFFAOYSA-N 2 2 253.349 3.381 20 0 CGADLP c1cn(-c2cccc(Nc3ccc4c(c3)CC[NH2+]C4)c2)c[nH+]1 ZINC001159461538 806106195 /nfs/dbraw/zinc/10/61/95/806106195.db2.gz WVKAWVBFQAQSOR-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc3c(c2)CC[NH2+]C3)c1C ZINC001159603809 806129291 /nfs/dbraw/zinc/12/92/91/806129291.db2.gz OUXLASUDXZGINE-UHFFFAOYSA-N 2 2 253.349 3.088 20 0 CGADLP Cc1cc(Nc2ccc3c(c2)CC[NH2+]CC3)ccc1[NH+](C)C ZINC001159679393 806148060 /nfs/dbraw/zinc/14/80/60/806148060.db2.gz PMEFUSCNXSNUGE-UHFFFAOYSA-N 2 2 295.430 3.493 20 0 CGADLP Cc1c[nH+]cc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1C ZINC001159924664 806200383 /nfs/dbraw/zinc/20/03/83/806200383.db2.gz VXIKAKACXAXOKU-INIZCTEOSA-N 2 2 283.375 3.183 20 0 CGADLP Cc1nc(NC[C@@H]2CCCC[NH2+]2)cc(C2CCCCC2)[nH+]1 ZINC001160151453 806228391 /nfs/dbraw/zinc/22/83/91/806228391.db2.gz UAUICYZSENDGKE-HNNXBMFYSA-N 2 2 288.439 3.387 20 0 CGADLP c1ccc(N(C2CC[NH2+]CC2)C2CCC3(CC3)CC2)[nH+]c1 ZINC001254449833 806403816 /nfs/dbraw/zinc/40/38/16/806403816.db2.gz XBUFKJYMYPLXGI-UHFFFAOYSA-N 2 2 285.435 3.363 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254843685 806496120 /nfs/dbraw/zinc/49/61/20/806496120.db2.gz GJVYXSFCTXCEGR-AEFFLSMTSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847048 806496895 /nfs/dbraw/zinc/49/68/95/806496895.db2.gz CGMNBIBOAUYNEN-GUYCJALGSA-N 2 2 292.854 3.345 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1C ZINC001254849701 806498361 /nfs/dbraw/zinc/49/83/61/806498361.db2.gz WSVNUYOSBHHNSS-MAUKXSAKSA-N 2 2 272.436 3.438 20 0 CGADLP C1CCC2(C1)CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857321 806500778 /nfs/dbraw/zinc/50/07/78/806500778.db2.gz ZHSPFBTXCMYUGV-MRXNPFEDSA-N 2 2 262.441 3.127 20 0 CGADLP C1CCC2(C1)CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254857321 806500781 /nfs/dbraw/zinc/50/07/81/806500781.db2.gz ZHSPFBTXCMYUGV-MRXNPFEDSA-N 2 2 262.441 3.127 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001162453856 806587538 /nfs/dbraw/zinc/58/75/38/806587538.db2.gz MDYWYZVVAFCFQA-OLZOCXBDSA-N 2 2 287.382 3.422 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001162455019 806587763 /nfs/dbraw/zinc/58/77/63/806587763.db2.gz RJBYRZRPORECHD-YOEHRIQHSA-N 2 2 296.418 3.191 20 0 CGADLP CC(C)COc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)cc[nH+]1 ZINC001162469879 806592235 /nfs/dbraw/zinc/59/22/35/806592235.db2.gz DZCNVAXEQGYPLH-LSDHHAIUSA-N 2 2 291.439 3.164 20 0 CGADLP Cc1c[nH+]cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1C ZINC001162777115 806663372 /nfs/dbraw/zinc/66/33/72/806663372.db2.gz LAZUTXNSZCIACW-GFCCVEGCSA-N 2 2 266.348 3.057 20 0 CGADLP CC1(C)C[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CCO1 ZINC001255535352 806667332 /nfs/dbraw/zinc/66/73/32/806667332.db2.gz BFHBHNALIDDVBR-HNNXBMFYSA-N 2 2 285.391 3.139 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3s2)CC1 ZINC000037978973 798880894 /nfs/dbraw/zinc/88/08/94/798880894.db2.gz RTNKPGPOJNUOES-GFCCVEGCSA-N 2 2 289.448 3.431 20 0 CGADLP C[C@H](C[NH2+]Cc1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000037997524 798883771 /nfs/dbraw/zinc/88/37/71/798883771.db2.gz KSTCWOYHMACMIE-CYBMUJFWSA-N 2 2 282.378 3.176 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001255663222 806698425 /nfs/dbraw/zinc/69/84/25/806698425.db2.gz AWOSEUFRHXRONC-AGUYFDCRSA-N 2 2 294.389 3.378 20 0 CGADLP Cc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001255663222 806698427 /nfs/dbraw/zinc/69/84/27/806698427.db2.gz AWOSEUFRHXRONC-AGUYFDCRSA-N 2 2 294.389 3.378 20 0 CGADLP Cc1cc(N(CCC[NH3+])C(C)C)[nH+]c2ccccc12 ZINC000311977867 799226351 /nfs/dbraw/zinc/22/63/51/799226351.db2.gz OAMSHLOUUNSUIN-UHFFFAOYSA-N 2 2 257.381 3.107 20 0 CGADLP Cc1cc[nH+]c(C)c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163228182 806730068 /nfs/dbraw/zinc/73/00/68/806730068.db2.gz JALFBXSNBSGMLX-LBPRGKRZSA-N 2 2 259.378 3.016 20 0 CGADLP Cc1cc[nH+]c(C)c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163228181 806730628 /nfs/dbraw/zinc/73/06/28/806730628.db2.gz JALFBXSNBSGMLX-GFCCVEGCSA-N 2 2 259.378 3.016 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1 ZINC000386030248 799430174 /nfs/dbraw/zinc/43/01/74/799430174.db2.gz VDCVOQGFAYXJAA-IBGZPJMESA-N 2 2 294.442 3.497 20 0 CGADLP Cc1cc(C)c(C[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])c(C)c1 ZINC000386030248 799430179 /nfs/dbraw/zinc/43/01/79/799430179.db2.gz VDCVOQGFAYXJAA-IBGZPJMESA-N 2 2 294.442 3.497 20 0 CGADLP Cc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001255772646 806743607 /nfs/dbraw/zinc/74/36/07/806743607.db2.gz OGYVUQOVKSVJEJ-INIZCTEOSA-N 2 2 260.425 3.002 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001255797928 806756901 /nfs/dbraw/zinc/75/69/01/806756901.db2.gz WEWSYTXIMHTUIE-MRXNPFEDSA-N 2 2 283.419 3.460 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccncc1Cl ZINC000704328693 799935759 /nfs/dbraw/zinc/93/57/59/799935759.db2.gz GRLWIAKSFISWBA-CQSZACIVSA-N 2 2 292.814 3.136 20 0 CGADLP CO[C@@H](C)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709645535 800010888 /nfs/dbraw/zinc/01/08/88/800010888.db2.gz QRRRKEKUFILKGG-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CO[C@@H](C)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709645535 800010897 /nfs/dbraw/zinc/01/08/97/800010897.db2.gz QRRRKEKUFILKGG-FUHWJXTLSA-N 2 2 290.451 3.056 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001255954538 806798644 /nfs/dbraw/zinc/79/86/44/806798644.db2.gz XKAWANVSCLIJPO-MRXNPFEDSA-N 3 2 297.531 3.207 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001255966582 806802286 /nfs/dbraw/zinc/80/22/86/806802286.db2.gz LSSPVDRIPDHERO-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2cc(F)ccc2C1 ZINC001255966582 806802292 /nfs/dbraw/zinc/80/22/92/806802292.db2.gz LSSPVDRIPDHERO-CQSZACIVSA-N 2 2 278.415 3.304 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)C1 ZINC000716267780 800165943 /nfs/dbraw/zinc/16/59/43/800165943.db2.gz FETFZYBGSLZVJQ-QGZVFWFLSA-N 2 2 272.436 3.287 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C3CC3)CC2)cn1 ZINC001256080853 806814471 /nfs/dbraw/zinc/81/44/71/806814471.db2.gz FBWNEAQSPFRPCK-SFHVURJKSA-N 2 2 285.435 3.154 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C3CC3)CC2)cn1 ZINC001256080853 806814477 /nfs/dbraw/zinc/81/44/77/806814477.db2.gz FBWNEAQSPFRPCK-SFHVURJKSA-N 2 2 285.435 3.154 20 0 CGADLP c1ccc(C2=CC[N@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256080883 806817000 /nfs/dbraw/zinc/81/70/00/806817000.db2.gz GLQPMGQIOWUJIM-UHFFFAOYSA-N 2 2 282.431 3.403 20 0 CGADLP c1ccc(C2=CC[N@@H+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256080883 806817006 /nfs/dbraw/zinc/81/70/06/806817006.db2.gz GLQPMGQIOWUJIM-UHFFFAOYSA-N 2 2 282.431 3.403 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@@H]1C ZINC000722392271 800319899 /nfs/dbraw/zinc/31/98/99/800319899.db2.gz SLDUTVFJSQTIFR-YRGRVCCFSA-N 2 2 281.469 3.119 20 0 CGADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC000722408900 800323650 /nfs/dbraw/zinc/32/36/50/800323650.db2.gz QJEWKBJUTLYBJH-HUUCEWRRSA-N 2 2 293.480 3.263 20 0 CGADLP CSCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000725122168 800374338 /nfs/dbraw/zinc/37/43/38/800374338.db2.gz CDZKTAQXBKPZHB-UHFFFAOYSA-N 2 2 289.448 3.316 20 0 CGADLP COc1cccc(C[C@@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)c1 ZINC001256168963 806842621 /nfs/dbraw/zinc/84/26/21/806842621.db2.gz XBMJFJNKBFVFND-ZBFHGGJFSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1[nH+]cn([C@H](C)CCC(C)C)c1CSCC[NH3+] ZINC001256355348 806862897 /nfs/dbraw/zinc/86/28/97/806862897.db2.gz WWQJVIQPBCSWGN-GFCCVEGCSA-N 2 2 269.458 3.381 20 0 CGADLP Cc1c[nH+]cc(NCc2cccc(C[NH+](C)C)c2)c1C ZINC001163994817 806870342 /nfs/dbraw/zinc/87/03/42/806870342.db2.gz QJYMSVDTYLQHBZ-UHFFFAOYSA-N 2 2 269.392 3.372 20 0 CGADLP C[C@@]1(C[NH3+])CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC001164241308 806921703 /nfs/dbraw/zinc/92/17/03/806921703.db2.gz BXUKAJDVBXUYDI-QGZVFWFLSA-N 2 2 269.392 3.190 20 0 CGADLP c1ccc(C[NH+]2CCC([NH+]3C4CCC3CC4)CC2)cc1 ZINC001256610383 806925368 /nfs/dbraw/zinc/92/53/68/806925368.db2.gz DFSQLDVMEGTNBH-UHFFFAOYSA-N 2 2 270.420 3.278 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621590 806928196 /nfs/dbraw/zinc/92/81/96/806928196.db2.gz XJLYGLCHNGFQOG-RLAWYHOSSA-N 2 2 292.398 3.110 20 0 CGADLP COc1c(F)cccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621590 806928201 /nfs/dbraw/zinc/92/82/01/806928201.db2.gz XJLYGLCHNGFQOG-RLAWYHOSSA-N 2 2 292.398 3.110 20 0 CGADLP Cc1ccc2c(C)cc(N3C[C@H]4C[NH+](C)C[C@@H]4C3)[nH+]c2c1C ZINC001165154083 806973302 /nfs/dbraw/zinc/97/33/02/806973302.db2.gz ZCDLLZOHJFLNLE-HZPDHXFCSA-N 2 2 295.430 3.158 20 0 CGADLP Fc1ccc(CC[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC001116502150 802367289 /nfs/dbraw/zinc/36/72/89/802367289.db2.gz PEISSFCEBRUHMO-UHFFFAOYSA-N 2 2 295.361 3.344 20 0 CGADLP Cn1c[nH+]cc1-c1ccc(/C=C/C2CC[NH2+]CC2)cc1 ZINC001243896594 803066312 /nfs/dbraw/zinc/06/63/12/803066312.db2.gz IZNDDQDDUPFOGG-NSCUHMNNSA-N 2 2 267.376 3.100 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)n1 ZINC001206809946 813444112 /nfs/dbraw/zinc/44/41/12/813444112.db2.gz MPDCAOYGILBQEE-CHWSQXEVSA-N 2 2 295.858 3.418 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)n1 ZINC001206809946 813444115 /nfs/dbraw/zinc/44/41/15/813444115.db2.gz MPDCAOYGILBQEE-CHWSQXEVSA-N 2 2 295.858 3.418 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206809938 813443795 /nfs/dbraw/zinc/44/37/95/813443795.db2.gz MMCXRZBAQMYBKR-CMPLNLGQSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Cl ZINC001206809938 813443801 /nfs/dbraw/zinc/44/38/01/813443801.db2.gz MMCXRZBAQMYBKR-CMPLNLGQSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665739 /nfs/dbraw/zinc/66/57/39/803665739.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665743 /nfs/dbraw/zinc/66/57/43/803665743.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665745 /nfs/dbraw/zinc/66/57/45/803665745.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)c[nH]c2c1 ZINC001136976179 803665749 /nfs/dbraw/zinc/66/57/49/803665749.db2.gz ZLYNQCODODYIQC-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC001137418169 803731320 /nfs/dbraw/zinc/73/13/20/803731320.db2.gz OOJPHMRWKZYACH-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC001137418169 803731322 /nfs/dbraw/zinc/73/13/22/803731322.db2.gz OOJPHMRWKZYACH-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c[nH+]c1N ZINC001245539884 803798370 /nfs/dbraw/zinc/79/83/70/803798370.db2.gz YGDYWKHCDIKLQJ-CQSZACIVSA-N 2 2 296.418 3.409 20 0 CGADLP Cc1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)c[nH+]c1N ZINC001245539884 803798376 /nfs/dbraw/zinc/79/83/76/803798376.db2.gz YGDYWKHCDIKLQJ-CQSZACIVSA-N 2 2 296.418 3.409 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246077122 804116104 /nfs/dbraw/zinc/11/61/04/804116104.db2.gz QUGXQWUXFQLWHI-ROUUACIJSA-N 2 2 268.404 3.297 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246084663 804119499 /nfs/dbraw/zinc/11/94/99/804119499.db2.gz GJOYSDPPEIYIML-NEXFUWMNSA-N 2 2 270.436 3.271 20 0 CGADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246087520 804120547 /nfs/dbraw/zinc/12/05/47/804120547.db2.gz OUEFLQFIWTUVGB-ZACQAIPSSA-N 2 2 278.415 3.078 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001139155609 804142122 /nfs/dbraw/zinc/14/21/22/804142122.db2.gz SNCSSKODJGBHMJ-LPHOPBHVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001139155609 804142126 /nfs/dbraw/zinc/14/21/26/804142126.db2.gz SNCSSKODJGBHMJ-LPHOPBHVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001139155609 804142129 /nfs/dbraw/zinc/14/21/29/804142129.db2.gz SNCSSKODJGBHMJ-LPHOPBHVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2c1cccc2C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001139155609 804142133 /nfs/dbraw/zinc/14/21/33/804142133.db2.gz SNCSSKODJGBHMJ-LPHOPBHVSA-N 2 2 297.446 3.187 20 0 CGADLP CC(C)[N@H+](Cc1cccc2c1ccn2C)C1CC[NH+](C)CC1 ZINC001139163810 804146268 /nfs/dbraw/zinc/14/62/68/804146268.db2.gz SEMWHTNEVZBHSC-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2c1ccn2C)C1CC[NH+](C)CC1 ZINC001139163810 804146272 /nfs/dbraw/zinc/14/62/72/804146272.db2.gz SEMWHTNEVZBHSC-UHFFFAOYSA-N 2 2 299.462 3.483 20 0 CGADLP Cn1ccc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc21 ZINC001139204239 804161274 /nfs/dbraw/zinc/16/12/74/804161274.db2.gz LLMREWKGGSGFNR-UHFFFAOYSA-N 2 2 297.446 3.239 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140512 804163533 /nfs/dbraw/zinc/16/35/33/804163533.db2.gz FSSOCXUVCAOKRA-KYNGSXCRSA-N 2 2 298.405 3.450 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC001246157454 804173614 /nfs/dbraw/zinc/17/36/14/804173614.db2.gz BEDGSGVLYZGROH-ZFWWWQNUSA-N 2 2 284.806 3.345 20 0 CGADLP c1ccc(Oc2cccc(CC[NH2+][C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001246157841 804173483 /nfs/dbraw/zinc/17/34/83/804173483.db2.gz IVRRFCPKYJOTPV-QGZVFWFLSA-N 2 2 296.414 3.363 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]C(C)(C)C2)c1Cl ZINC001246158144 804174183 /nfs/dbraw/zinc/17/41/83/804174183.db2.gz GUVZBTZFLPCMGE-LLVKDONJSA-N 2 2 284.806 3.408 20 0 CGADLP c1ccc(Oc2ccc(CC[NH2+][C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001246159222 804175445 /nfs/dbraw/zinc/17/54/45/804175445.db2.gz OBMPPEAEVYDSSP-QGZVFWFLSA-N 2 2 296.414 3.363 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246167964 804182832 /nfs/dbraw/zinc/18/28/32/804182832.db2.gz BMFSVSMRFPLIII-DZGCQCFKSA-N 2 2 284.806 3.345 20 0 CGADLP CCCCc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246179255 804193656 /nfs/dbraw/zinc/19/36/56/804193656.db2.gz OZGAOMWCGNSRTR-QGZVFWFLSA-N 2 2 260.425 3.261 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246182151 804195832 /nfs/dbraw/zinc/19/58/32/804195832.db2.gz YGRHOCSRLRJPMF-ZBFHGGJFSA-N 2 2 258.409 3.186 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001246194764 804202530 /nfs/dbraw/zinc/20/25/30/804202530.db2.gz OMHZWXQKPNZERR-OLZOCXBDSA-N 2 2 292.389 3.475 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246210205 804209211 /nfs/dbraw/zinc/20/92/11/804209211.db2.gz IQOVHELUXRJMMJ-NEPJUHHUSA-N 2 2 264.800 3.059 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246213396 804209754 /nfs/dbraw/zinc/20/97/54/804209754.db2.gz UVFZOFUZCNQABH-OLZOCXBDSA-N 2 2 278.827 3.449 20 0 CGADLP CC1(C)C[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246212772 804209809 /nfs/dbraw/zinc/20/98/09/804209809.db2.gz RIPQMLNVTZGONJ-GFCCVEGCSA-N 2 2 278.827 3.449 20 0 CGADLP Cc1c(C[NH2+][C@@H]2CCCC[NH2+]C2)cccc1C(F)(F)F ZINC001246229544 804221702 /nfs/dbraw/zinc/22/17/02/804221702.db2.gz DIUJBIWPSGTNOE-CYBMUJFWSA-N 2 2 286.341 3.246 20 0 CGADLP CCOc1ccc(C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001139607544 804226048 /nfs/dbraw/zinc/22/60/48/804226048.db2.gz VKBQRJINTUJWPN-UHFFFAOYSA-N 2 2 299.418 3.427 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCC2)C[NH2+]1 ZINC001246274980 804250824 /nfs/dbraw/zinc/25/08/24/804250824.db2.gz OELNYJYONADMOG-DQYPLSBCSA-N 2 2 276.399 3.397 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246294387 804264157 /nfs/dbraw/zinc/26/41/57/804264157.db2.gz WNTJHWJJIDXXIH-HOTGVXAUSA-N 2 2 264.388 3.255 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC001246295722 804264191 /nfs/dbraw/zinc/26/41/91/804264191.db2.gz YTELAEMAIBMACY-WQVCFCJDSA-N 2 2 264.388 3.253 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246295538 804264731 /nfs/dbraw/zinc/26/47/31/804264731.db2.gz PAJXCXBPJJKFNP-NVXWUHKLSA-N 2 2 284.488 3.482 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC001246318942 804279462 /nfs/dbraw/zinc/27/94/62/804279462.db2.gz VSYANDQDOXCMIH-MBNYWOFBSA-N 2 2 266.816 3.440 20 0 CGADLP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1CSCC[NH2+]1 ZINC001246333848 804290261 /nfs/dbraw/zinc/29/02/61/804290261.db2.gz AXXVHZRESHRATK-OAHLLOKOSA-N 2 2 282.497 3.174 20 0 CGADLP Fc1cccc([C@H](CC2CCC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246410234 804324353 /nfs/dbraw/zinc/32/43/53/804324353.db2.gz ZIHOHRQKIJTTKE-IRXDYDNUSA-N 2 2 276.399 3.399 20 0 CGADLP FC(F)(F)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246411228 804325451 /nfs/dbraw/zinc/32/54/51/804325451.db2.gz AEYWLGKAQILHPD-GXTWGEPZSA-N 2 2 284.325 3.034 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(C)c1C ZINC001246476789 804351898 /nfs/dbraw/zinc/35/18/98/804351898.db2.gz VOEIUPFIICPRSC-JLJPHGGASA-N 2 2 260.425 3.485 20 0 CGADLP CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246523264 804379521 /nfs/dbraw/zinc/37/95/21/804379521.db2.gz FXJVNIPASFQVKW-CJNGLKHVSA-N 2 2 292.423 3.031 20 0 CGADLP CCCCCC[C@H](CCCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246545787 804394099 /nfs/dbraw/zinc/39/40/99/804394099.db2.gz DFSPBNZBKQTYHM-IRXDYDNUSA-N 2 2 284.488 3.436 20 0 CGADLP CCCCCC[C@H](CCCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246545787 804394104 /nfs/dbraw/zinc/39/41/04/804394104.db2.gz DFSPBNZBKQTYHM-IRXDYDNUSA-N 2 2 284.488 3.436 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246559548 804408669 /nfs/dbraw/zinc/40/86/69/804408669.db2.gz CUKXJBVLPZLQIK-IJEWVQPXSA-N 2 2 278.465 3.145 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001246559548 804408672 /nfs/dbraw/zinc/40/86/72/804408672.db2.gz CUKXJBVLPZLQIK-IJEWVQPXSA-N 2 2 278.465 3.145 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570679 804417177 /nfs/dbraw/zinc/41/71/77/804417177.db2.gz SGOCRKZYYGFYGJ-BPLDGKMQSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570679 804417183 /nfs/dbraw/zinc/41/71/83/804417183.db2.gz SGOCRKZYYGFYGJ-BPLDGKMQSA-N 2 2 292.854 3.257 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246606316 804441832 /nfs/dbraw/zinc/44/18/32/804441832.db2.gz DSDZAKNZNRYYDU-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246606316 804441836 /nfs/dbraw/zinc/44/18/36/804441836.db2.gz DSDZAKNZNRYYDU-WMLDXEAASA-N 2 2 292.854 3.489 20 0 CGADLP CCCCCC1CCC([NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001246614937 804449138 /nfs/dbraw/zinc/44/91/38/804449138.db2.gz PJPOQZWSSQUXPL-UHFFFAOYSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246615966 804450946 /nfs/dbraw/zinc/45/09/46/804450946.db2.gz YSXUVHVYCHVLMB-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001246615966 804450950 /nfs/dbraw/zinc/45/09/50/804450950.db2.gz YSXUVHVYCHVLMB-DOTOQJQBSA-N 2 2 290.476 3.304 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649503 804477821 /nfs/dbraw/zinc/47/78/21/804477821.db2.gz CBRSRIYUSFQQFV-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649503 804477825 /nfs/dbraw/zinc/47/78/25/804477825.db2.gz CBRSRIYUSFQQFV-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP CC(C)(C)C1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246660080 804483412 /nfs/dbraw/zinc/48/34/12/804483412.db2.gz SAIUKBATSDEWDJ-NQKKVCCDSA-N 2 2 250.430 3.014 20 0 CGADLP CC(C)(C)C1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246660080 804483415 /nfs/dbraw/zinc/48/34/15/804483415.db2.gz SAIUKBATSDEWDJ-NQKKVCCDSA-N 2 2 250.430 3.014 20 0 CGADLP Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2C[NH2+][C@H](C)C2)CC1 ZINC001246745772 804501085 /nfs/dbraw/zinc/50/10/85/804501085.db2.gz GDYOIZAGYIPGIE-WBVHZDCISA-N 2 2 284.447 3.025 20 0 CGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C[NH2+]1 ZINC001246789319 804512945 /nfs/dbraw/zinc/51/29/45/804512945.db2.gz UWHQBUWYTHPGNC-CXAGYDPISA-N 2 2 276.399 3.146 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001140805057 804522570 /nfs/dbraw/zinc/52/25/70/804522570.db2.gz PXHCJHFLFSYJKO-UHFFFAOYSA-N 2 2 285.391 3.098 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001140805057 804522572 /nfs/dbraw/zinc/52/25/72/804522572.db2.gz PXHCJHFLFSYJKO-UHFFFAOYSA-N 2 2 285.391 3.098 20 0 CGADLP FC(F)[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807152 804522590 /nfs/dbraw/zinc/52/25/90/804522590.db2.gz OJHINMNMVPLGKI-JTQLQIEISA-N 2 2 265.307 3.040 20 0 CGADLP FC(F)[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807152 804522591 /nfs/dbraw/zinc/52/25/91/804522591.db2.gz OJHINMNMVPLGKI-JTQLQIEISA-N 2 2 265.307 3.040 20 0 CGADLP CCCC[C@H](CC)[N@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827035 804538412 /nfs/dbraw/zinc/53/84/12/804538412.db2.gz GOFABYFWQIRIAH-WOPDTQHZSA-N 2 2 266.351 3.167 20 0 CGADLP CCCC[C@H](CC)[N@@H+]1C[C@H](C(F)(F)F)C[C@H]([NH3+])C1 ZINC001246827035 804538418 /nfs/dbraw/zinc/53/84/18/804538418.db2.gz GOFABYFWQIRIAH-WOPDTQHZSA-N 2 2 266.351 3.167 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835662 804544499 /nfs/dbraw/zinc/54/44/99/804544499.db2.gz LHGNUSWSJPFOTE-IRXDYDNUSA-N 2 2 292.854 3.475 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246835662 804544505 /nfs/dbraw/zinc/54/45/05/804544505.db2.gz LHGNUSWSJPFOTE-IRXDYDNUSA-N 2 2 292.854 3.475 20 0 CGADLP CC[C@H]1CC([N@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843829 804551765 /nfs/dbraw/zinc/55/17/65/804551765.db2.gz FPQQKLFQQNFWFJ-KBPBESRZSA-N 2 2 250.430 3.314 20 0 CGADLP CC[C@H]1CC([N@@H+]2CCCCC23CC3)C[C@H](CC)[NH2+]1 ZINC001246843829 804551762 /nfs/dbraw/zinc/55/17/62/804551762.db2.gz FPQQKLFQQNFWFJ-KBPBESRZSA-N 2 2 250.430 3.314 20 0 CGADLP Clc1cccc2c1CC[N@@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246844690 804553352 /nfs/dbraw/zinc/55/33/52/804553352.db2.gz BLKISMREVMUPFG-CQSZACIVSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1cccc2c1CC[N@H+]([C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001246844690 804553358 /nfs/dbraw/zinc/55/33/58/804553358.db2.gz BLKISMREVMUPFG-CQSZACIVSA-N 2 2 290.838 3.373 20 0 CGADLP Clc1cccc2c1CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246849463 804560035 /nfs/dbraw/zinc/56/00/35/804560035.db2.gz RMHHIYBKRZMPDI-QDMKHBRRSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1cccc2c1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246849463 804560041 /nfs/dbraw/zinc/56/00/41/804560041.db2.gz RMHHIYBKRZMPDI-QDMKHBRRSA-N 2 2 290.838 3.371 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871390 804573112 /nfs/dbraw/zinc/57/31/12/804573112.db2.gz YXCWGJOSTAPYFL-XJKSGUPXSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@H]1C[C@@H]([N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871390 804573118 /nfs/dbraw/zinc/57/31/18/804573118.db2.gz YXCWGJOSTAPYFL-XJKSGUPXSA-N 2 2 278.827 3.432 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901317 804588066 /nfs/dbraw/zinc/58/80/66/804588066.db2.gz LUTYEBPSQTVELN-XNJGSVPQSA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)C[NH2+]1 ZINC001246901317 804588071 /nfs/dbraw/zinc/58/80/71/804588071.db2.gz LUTYEBPSQTVELN-XNJGSVPQSA-N 2 2 269.392 3.055 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246906784 804591256 /nfs/dbraw/zinc/59/12/56/804591256.db2.gz HLMFZRSAAQPDLC-AVGNSLFASA-N 2 2 266.816 3.473 20 0 CGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246906784 804591259 /nfs/dbraw/zinc/59/12/59/804591259.db2.gz HLMFZRSAAQPDLC-AVGNSLFASA-N 2 2 266.816 3.473 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246907155 804592089 /nfs/dbraw/zinc/59/20/89/804592089.db2.gz ILOVAQNJDCPYLC-DABQJJPHSA-N 2 2 282.378 3.316 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246907155 804592090 /nfs/dbraw/zinc/59/20/90/804592090.db2.gz ILOVAQNJDCPYLC-DABQJJPHSA-N 2 2 282.378 3.316 20 0 CGADLP CC[N@H+](Cc1ccc(C)cc1F)C1CC[NH+](C)CC1 ZINC001141194860 804608580 /nfs/dbraw/zinc/60/85/80/804608580.db2.gz QAQUEOOMPDFOQR-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH+](C)CC1 ZINC001141194860 804608583 /nfs/dbraw/zinc/60/85/83/804608583.db2.gz QAQUEOOMPDFOQR-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC1(C)CC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246948832 804615256 /nfs/dbraw/zinc/61/52/56/804615256.db2.gz MQTZQPYWVQQZGD-IAGOWNOFSA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)CC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246948832 804615259 /nfs/dbraw/zinc/61/52/59/804615259.db2.gz MQTZQPYWVQQZGD-IAGOWNOFSA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@@H]([N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959118 804618267 /nfs/dbraw/zinc/61/82/67/804618267.db2.gz FCYIEASGBFFJBD-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP CC[C@H]1CC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]C2)C1 ZINC001246959118 804618269 /nfs/dbraw/zinc/61/82/69/804618269.db2.gz FCYIEASGBFFJBD-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP CCCCCC[C@@H](CCC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246988321 804630325 /nfs/dbraw/zinc/63/03/25/804630325.db2.gz PAXGVWRCZDSHFE-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246988321 804630330 /nfs/dbraw/zinc/63/03/30/804630330.db2.gz PAXGVWRCZDSHFE-IAGOWNOFSA-N 2 2 282.472 3.190 20 0 CGADLP [NH3+]CCCc1[nH]c2ccc(Oc3ccccc3)cc2[nH+]1 ZINC001247010698 804638830 /nfs/dbraw/zinc/63/88/30/804638830.db2.gz BXNDYDFDMYNFQF-UHFFFAOYSA-N 2 2 267.332 3.247 20 0 CGADLP Cc1ccc2cc(C[NH+]3CCC([NH+]4CCC4)CC3)ccc2n1 ZINC001141485347 804647659 /nfs/dbraw/zinc/64/76/59/804647659.db2.gz ZBQMCCJURRXEBV-UHFFFAOYSA-N 2 2 295.430 3.213 20 0 CGADLP CC[N@H+](Cc1ccc(SC)s1)C1CC[NH+](C)CC1 ZINC001142025834 804688422 /nfs/dbraw/zinc/68/84/22/804688422.db2.gz NZOLJABUJXWUJI-UHFFFAOYSA-N 2 2 284.494 3.386 20 0 CGADLP CC[N@@H+](Cc1ccc(SC)s1)C1CC[NH+](C)CC1 ZINC001142025834 804688428 /nfs/dbraw/zinc/68/84/28/804688428.db2.gz NZOLJABUJXWUJI-UHFFFAOYSA-N 2 2 284.494 3.386 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001142366978 804719112 /nfs/dbraw/zinc/71/91/12/804719112.db2.gz ADHREFKZXRNLCH-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001142366978 804719118 /nfs/dbraw/zinc/71/91/18/804719118.db2.gz ADHREFKZXRNLCH-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001142366978 804719124 /nfs/dbraw/zinc/71/91/24/804719124.db2.gz ADHREFKZXRNLCH-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP CCCc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001142366978 804719129 /nfs/dbraw/zinc/71/91/29/804719129.db2.gz ADHREFKZXRNLCH-ZWKOTPCHSA-N 2 2 272.436 3.165 20 0 CGADLP c1cn2cc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)ccc2[nH+]1 ZINC001143027112 804796963 /nfs/dbraw/zinc/79/69/63/804796963.db2.gz JREUTUZIDQESNK-CVEARBPZSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2cc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)ccc2[nH+]1 ZINC001143027112 804796972 /nfs/dbraw/zinc/79/69/72/804796972.db2.gz JREUTUZIDQESNK-CVEARBPZSA-N 2 2 269.392 3.346 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(-n2cccc2)cc1 ZINC001144252755 804962472 /nfs/dbraw/zinc/96/24/72/804962472.db2.gz WHAMLGJGYOZZMO-UHFFFAOYSA-N 2 2 294.402 3.196 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(-n2cccc2)cc1 ZINC001144252755 804962478 /nfs/dbraw/zinc/96/24/78/804962478.db2.gz WHAMLGJGYOZZMO-UHFFFAOYSA-N 2 2 294.402 3.196 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001250181831 805469402 /nfs/dbraw/zinc/46/94/02/805469402.db2.gz PJXDBNLZZMPETF-UHFFFAOYSA-N 2 2 290.451 3.311 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001250181831 805469409 /nfs/dbraw/zinc/46/94/09/805469409.db2.gz PJXDBNLZZMPETF-UHFFFAOYSA-N 2 2 290.451 3.311 20 0 CGADLP Cc1cc(Cl)c(C)c(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154986856 805519006 /nfs/dbraw/zinc/51/90/06/805519006.db2.gz UWGGIKSBIFURIO-GHMZBOCLSA-N 2 2 253.777 3.034 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@]2(F)CCCC[NH2+]C2)[nH+]1 ZINC001155116213 805541545 /nfs/dbraw/zinc/54/15/45/805541545.db2.gz GONOSBQPTFRBMI-AWEZNQCLSA-N 2 2 285.794 3.246 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cncc(Cl)c2)CC1 ZINC001257213396 807063581 /nfs/dbraw/zinc/06/35/81/807063581.db2.gz MSXACTGCCUMEJQ-GFCCVEGCSA-N 2 2 281.831 3.258 20 0 CGADLP CC(C)[NH+]1CCC(CNc2ccc(C3CC3)c[nH+]2)CC1 ZINC001166622866 807071684 /nfs/dbraw/zinc/07/16/84/807071684.db2.gz IZBLBUCCTPYBCI-UHFFFAOYSA-N 2 2 273.424 3.491 20 0 CGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257287252 807088045 /nfs/dbraw/zinc/08/80/45/807088045.db2.gz RLPQWNQOJGMLCO-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257316676 807103625 /nfs/dbraw/zinc/10/36/25/807103625.db2.gz HXNMTXGJHSVDIE-JQHSSLGASA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257316676 807103627 /nfs/dbraw/zinc/10/36/27/807103627.db2.gz HXNMTXGJHSVDIE-JQHSSLGASA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001257433090 807153467 /nfs/dbraw/zinc/15/34/67/807153467.db2.gz KOBDWFJOLLLUAQ-WBVHZDCISA-N 2 2 260.425 3.082 20 0 CGADLP Oc1ccc(C[NH+]2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC001257452703 807164363 /nfs/dbraw/zinc/16/43/63/807164363.db2.gz JNOMOEDLCWDEPK-UHFFFAOYSA-N 2 2 288.435 3.279 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)C1 ZINC001167275267 807175413 /nfs/dbraw/zinc/17/54/13/807175413.db2.gz LSGCTYAHPPMVCK-HNNXBMFYSA-N 2 2 292.386 3.142 20 0 CGADLP C[N@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)C1 ZINC001167275267 807175419 /nfs/dbraw/zinc/17/54/19/807175419.db2.gz LSGCTYAHPPMVCK-HNNXBMFYSA-N 2 2 292.386 3.142 20 0 CGADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CCCSC2)CC1 ZINC001257681878 807213556 /nfs/dbraw/zinc/21/35/56/807213556.db2.gz CQHKYAFVUNZCOW-MRXNPFEDSA-N 2 2 282.497 3.221 20 0 CGADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CCCSC2)CC1 ZINC001257681878 807213564 /nfs/dbraw/zinc/21/35/64/807213564.db2.gz CQHKYAFVUNZCOW-MRXNPFEDSA-N 2 2 282.497 3.221 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001257875367 807233607 /nfs/dbraw/zinc/23/36/07/807233607.db2.gz MIROTVVNDDAQEP-UPTPFMHGSA-N 2 2 294.483 3.329 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001257875367 807233613 /nfs/dbraw/zinc/23/36/13/807233613.db2.gz MIROTVVNDDAQEP-UPTPFMHGSA-N 2 2 294.483 3.329 20 0 CGADLP Cc1c[nH+]cc(NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001167751980 807240903 /nfs/dbraw/zinc/24/09/03/807240903.db2.gz AHSFEEYJCSNMIK-CQSZACIVSA-N 2 2 261.413 3.375 20 0 CGADLP Cc1c[nH+]cc(NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001167751980 807240908 /nfs/dbraw/zinc/24/09/08/807240908.db2.gz AHSFEEYJCSNMIK-CQSZACIVSA-N 2 2 261.413 3.375 20 0 CGADLP CC(C)C[NH+]1CCC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001258003016 807263382 /nfs/dbraw/zinc/26/33/82/807263382.db2.gz UFBFNVUPHVPPOM-UHFFFAOYSA-N 3 2 295.515 3.087 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353335 807391227 /nfs/dbraw/zinc/39/12/27/807391227.db2.gz KXKMYIXQECKVDL-UHFFFAOYSA-N 2 2 296.817 3.443 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001258282283 807394072 /nfs/dbraw/zinc/39/40/72/807394072.db2.gz GNSMVQAOXCGXSG-CQSZACIVSA-N 2 2 257.381 3.393 20 0 CGADLP Fc1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001168438379 807413630 /nfs/dbraw/zinc/41/36/30/807413630.db2.gz AIUSHWZUZMAFNO-WBVHZDCISA-N 2 2 299.393 3.219 20 0 CGADLP CSC(C)(C)C[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258341885 807419095 /nfs/dbraw/zinc/41/90/95/807419095.db2.gz OZYLTTNQOAWPSW-QWHCGFSZSA-N 2 2 281.469 3.443 20 0 CGADLP Cc1c[nH+]cc(N2C[C@H](CC[NH3+])c3ccccc32)c1C ZINC001168548880 807443318 /nfs/dbraw/zinc/44/33/18/807443318.db2.gz JKDAVRARTXHWRY-AWEZNQCLSA-N 2 2 267.376 3.283 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC001258648907 807521246 /nfs/dbraw/zinc/52/12/46/807521246.db2.gz TYDJUBPPSTYNQR-QGZVFWFLSA-N 2 2 260.425 3.083 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258649581 807521868 /nfs/dbraw/zinc/52/18/68/807521868.db2.gz LGAVKPQCBWCGNR-SJLPKXTDSA-N 2 2 274.452 3.472 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705919 807559949 /nfs/dbraw/zinc/55/99/49/807559949.db2.gz ZRWQGPHDVSIJKL-BRWVUGGUSA-N 2 2 296.499 3.244 20 0 CGADLP CC[NH+](CC)C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CCO1 ZINC001258705919 807559954 /nfs/dbraw/zinc/55/99/54/807559954.db2.gz ZRWQGPHDVSIJKL-BRWVUGGUSA-N 2 2 296.499 3.244 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001169081723 807569258 /nfs/dbraw/zinc/56/92/58/807569258.db2.gz VJHNZFATNHSAAG-CLLJXQQHSA-N 2 2 287.432 3.011 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1nc3ccccc3s1)C2 ZINC001169081723 807569261 /nfs/dbraw/zinc/56/92/61/807569261.db2.gz VJHNZFATNHSAAG-CLLJXQQHSA-N 2 2 287.432 3.011 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001169125302 807585366 /nfs/dbraw/zinc/58/53/66/807585366.db2.gz YNAZIDDZWIXAMV-JGPRNRPPSA-N 2 2 288.313 3.013 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)o1)C2 ZINC001169125302 807585369 /nfs/dbraw/zinc/58/53/69/807585369.db2.gz YNAZIDDZWIXAMV-JGPRNRPPSA-N 2 2 288.313 3.013 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2Cl)CC1 ZINC001169238506 807612324 /nfs/dbraw/zinc/61/23/24/807612324.db2.gz IQGPUTQYKPGHBL-UHFFFAOYSA-N 2 2 266.816 3.222 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794309 807616881 /nfs/dbraw/zinc/61/68/81/807616881.db2.gz KJNHAJUZQOLDJA-CVEARBPZSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258794309 807616885 /nfs/dbraw/zinc/61/68/85/807616885.db2.gz KJNHAJUZQOLDJA-CVEARBPZSA-N 2 2 284.488 3.244 20 0 CGADLP COCC[N@H+]([C@H](C)CCCC(C)C)C1CC[NH+](C)CC1 ZINC001170082166 807750261 /nfs/dbraw/zinc/75/02/61/807750261.db2.gz JGKHXJSALYQGPA-MRXNPFEDSA-N 2 2 284.488 3.244 20 0 CGADLP COCC[N@@H+]([C@H](C)CCCC(C)C)C1CC[NH+](C)CC1 ZINC001170082166 807750265 /nfs/dbraw/zinc/75/02/65/807750265.db2.gz JGKHXJSALYQGPA-MRXNPFEDSA-N 2 2 284.488 3.244 20 0 CGADLP CC[C@@H]1C[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CCO1 ZINC001170194144 807791424 /nfs/dbraw/zinc/79/14/24/807791424.db2.gz VPGAPVZEPGFVGE-JKSUJKDBSA-N 2 2 285.391 3.139 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CCCn1cc[nH+]c1 ZINC001170248131 807802488 /nfs/dbraw/zinc/80/24/88/807802488.db2.gz MUZSINBIBFOLEA-CYBMUJFWSA-N 2 2 277.799 3.147 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170287335 807815969 /nfs/dbraw/zinc/81/59/69/807815969.db2.gz HRHDQLIQTIVFHK-FRFSOERESA-N 2 2 292.854 3.155 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001170287335 807815977 /nfs/dbraw/zinc/81/59/77/807815977.db2.gz HRHDQLIQTIVFHK-FRFSOERESA-N 2 2 292.854 3.155 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171654338 808112809 /nfs/dbraw/zinc/11/28/09/808112809.db2.gz RPUPNVCHXASFMW-MRXNPFEDSA-N 2 2 262.441 3.248 20 0 CGADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172354935 808251051 /nfs/dbraw/zinc/25/10/51/808251051.db2.gz TVBCANVKKRFTIT-LSDHHAIUSA-N 2 2 279.428 3.114 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172640682 808406374 /nfs/dbraw/zinc/40/63/74/808406374.db2.gz OYJLPEYJHRSVBM-UHFFFAOYSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172654259 808408899 /nfs/dbraw/zinc/40/88/99/808408899.db2.gz YVSJSTBCXJBOHT-AWEZNQCLSA-N 2 2 296.499 3.433 20 0 CGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172654259 808408901 /nfs/dbraw/zinc/40/89/01/808408901.db2.gz YVSJSTBCXJBOHT-AWEZNQCLSA-N 2 2 296.499 3.433 20 0 CGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726578 808422165 /nfs/dbraw/zinc/42/21/65/808422165.db2.gz YAWICKVZATWLTE-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726578 808422168 /nfs/dbraw/zinc/42/21/68/808422168.db2.gz YAWICKVZATWLTE-QGZVFWFLSA-N 2 2 292.854 3.223 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC001172855125 808463376 /nfs/dbraw/zinc/46/33/76/808463376.db2.gz VSAGINCXLGLGDP-CYBMUJFWSA-N 2 2 298.833 3.486 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172862653 808465984 /nfs/dbraw/zinc/46/59/84/808465984.db2.gz FEAIZDZGZKWUIL-LBPRGKRZSA-N 2 2 298.833 3.436 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172862653 808465986 /nfs/dbraw/zinc/46/59/86/808465986.db2.gz FEAIZDZGZKWUIL-LBPRGKRZSA-N 2 2 298.833 3.436 20 0 CGADLP CCCOC1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001173099428 808507668 /nfs/dbraw/zinc/50/76/68/808507668.db2.gz CLQHSGUDLVLULI-QQFBHYJXSA-N 2 2 291.439 3.260 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC001173236625 808546049 /nfs/dbraw/zinc/54/60/49/808546049.db2.gz BDHRFHFINUWZMY-CRAIPNDOSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC001173236625 808546055 /nfs/dbraw/zinc/54/60/55/808546055.db2.gz BDHRFHFINUWZMY-CRAIPNDOSA-N 2 2 274.452 3.254 20 0 CGADLP C[NH+](C)C[C@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347091 808624899 /nfs/dbraw/zinc/62/48/99/808624899.db2.gz WVCBPOGQPIOEEX-IRXDYDNUSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+](C)C[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347091 808624903 /nfs/dbraw/zinc/62/49/03/808624903.db2.gz WVCBPOGQPIOEEX-IRXDYDNUSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001274999341 808898108 /nfs/dbraw/zinc/89/81/08/808898108.db2.gz ZNUQAUTWVGODDF-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001274999341 808898113 /nfs/dbraw/zinc/89/81/13/808898113.db2.gz ZNUQAUTWVGODDF-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001274999341 808898121 /nfs/dbraw/zinc/89/81/21/808898121.db2.gz ZNUQAUTWVGODDF-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001274999341 808898130 /nfs/dbraw/zinc/89/81/30/808898130.db2.gz ZNUQAUTWVGODDF-KRWDZBQOSA-N 2 2 276.399 3.052 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275102294 808907818 /nfs/dbraw/zinc/90/78/18/808907818.db2.gz KRQPPQVSOXOEFB-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275102294 808907826 /nfs/dbraw/zinc/90/78/26/808907826.db2.gz KRQPPQVSOXOEFB-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275102294 808907834 /nfs/dbraw/zinc/90/78/34/808907834.db2.gz KRQPPQVSOXOEFB-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)CC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275102294 808907842 /nfs/dbraw/zinc/90/78/42/808907842.db2.gz KRQPPQVSOXOEFB-GOSISDBHSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1cn2cccc(Nc3ccc4[nH+]ccn4c3)c2[nH+]1 ZINC001174277119 808924989 /nfs/dbraw/zinc/92/49/89/808924989.db2.gz JBZNQLCEMOVGBG-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP CS[C@@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001276471528 809011622 /nfs/dbraw/zinc/01/16/22/809011622.db2.gz YNCWUZJXISPKIV-AWEZNQCLSA-N 2 2 282.497 3.078 20 0 CGADLP CS[C@@H](C)CC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276471528 809011627 /nfs/dbraw/zinc/01/16/27/809011627.db2.gz YNCWUZJXISPKIV-AWEZNQCLSA-N 2 2 282.497 3.078 20 0 CGADLP C[C@@H](CC[NH+]1CC2(C1)CC[N@H+](C)C2)CC(C)(C)C ZINC001276503733 809013399 /nfs/dbraw/zinc/01/33/99/809013399.db2.gz JOBZJMPUMMPOQS-AWEZNQCLSA-N 2 2 252.446 3.086 20 0 CGADLP C[C@@H](CC[NH+]1CC2(C1)CC[N@@H+](C)C2)CC(C)(C)C ZINC001276503733 809013405 /nfs/dbraw/zinc/01/34/05/809013405.db2.gz JOBZJMPUMMPOQS-AWEZNQCLSA-N 2 2 252.446 3.086 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4cc(C)ccc4[nH]3)(C1)CCC2 ZINC001277368578 809071838 /nfs/dbraw/zinc/07/18/38/809071838.db2.gz LTQRJICKDDUTAW-ZWKOTPCHSA-N 2 2 298.434 3.026 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccc(C)cc4[nH]3)(C1)CCC2 ZINC001277368578 809071843 /nfs/dbraw/zinc/07/18/43/809071843.db2.gz LTQRJICKDDUTAW-ZWKOTPCHSA-N 2 2 298.434 3.026 20 0 CGADLP Cc1cc(Nc2c[nH+]c(CC(C)C)cc2C)cc[nH+]1 ZINC001174654874 809119635 /nfs/dbraw/zinc/11/96/35/809119635.db2.gz QHSSCSOIIVUCPO-UHFFFAOYSA-N 2 2 255.365 3.457 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444434 809409705 /nfs/dbraw/zinc/40/97/05/809409705.db2.gz JASXNXIQFKCLRW-XYPHTWIQSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444434 809409707 /nfs/dbraw/zinc/40/97/07/809409707.db2.gz JASXNXIQFKCLRW-XYPHTWIQSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444434 809409712 /nfs/dbraw/zinc/40/97/12/809409712.db2.gz JASXNXIQFKCLRW-XYPHTWIQSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Cl)ccc43)CC[C@H]21 ZINC001175444434 809409715 /nfs/dbraw/zinc/40/97/15/809409715.db2.gz JASXNXIQFKCLRW-XYPHTWIQSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCc1ccccc1Cl ZINC001176070907 809613861 /nfs/dbraw/zinc/61/38/61/809613861.db2.gz SOUUDHBFOXDDCE-JKSUJKDBSA-N 2 2 292.854 3.441 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCc1ccccc1Cl ZINC001176070907 809613866 /nfs/dbraw/zinc/61/38/66/809613866.db2.gz SOUUDHBFOXDDCE-JKSUJKDBSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCc1ccccc1Cl ZINC001176070907 809613869 /nfs/dbraw/zinc/61/38/69/809613869.db2.gz SOUUDHBFOXDDCE-JKSUJKDBSA-N 2 2 292.854 3.441 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCc1ccccc1Cl ZINC001176070907 809613873 /nfs/dbraw/zinc/61/38/73/809613873.db2.gz SOUUDHBFOXDDCE-JKSUJKDBSA-N 2 2 292.854 3.441 20 0 CGADLP c1nc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2s1 ZINC001177303220 809793326 /nfs/dbraw/zinc/79/33/26/809793326.db2.gz GZMWGRJBRMFWFG-UKRRQHHQSA-N 2 2 287.432 3.013 20 0 CGADLP c1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2s1 ZINC001177303220 809793328 /nfs/dbraw/zinc/79/33/28/809793328.db2.gz GZMWGRJBRMFWFG-UKRRQHHQSA-N 2 2 287.432 3.013 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001179768098 809943539 /nfs/dbraw/zinc/94/35/39/809943539.db2.gz KOAXENYQNKQRJJ-SSZFMOIBSA-N 2 2 272.436 3.411 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001179768098 809943541 /nfs/dbraw/zinc/94/35/41/809943541.db2.gz KOAXENYQNKQRJJ-SSZFMOIBSA-N 2 2 272.436 3.411 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435370 810052677 /nfs/dbraw/zinc/05/26/77/810052677.db2.gz BYKLZJHJORHEDL-TUUVXOQKSA-N 2 2 264.457 3.131 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H]1C1CC1 ZINC001181435370 810052682 /nfs/dbraw/zinc/05/26/82/810052682.db2.gz BYKLZJHJORHEDL-TUUVXOQKSA-N 2 2 264.457 3.131 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046666 810134964 /nfs/dbraw/zinc/13/49/64/810134964.db2.gz ZPNVKKVQZLMJIO-SWLSCSKDSA-N 2 2 298.833 3.484 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001183046666 810134966 /nfs/dbraw/zinc/13/49/66/810134966.db2.gz ZPNVKKVQZLMJIO-SWLSCSKDSA-N 2 2 298.833 3.484 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001198704436 811536514 /nfs/dbraw/zinc/53/65/14/811536514.db2.gz AXLZPUVXWHWBRS-INIZCTEOSA-N 2 2 261.413 3.094 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001198704436 811536520 /nfs/dbraw/zinc/53/65/20/811536520.db2.gz AXLZPUVXWHWBRS-INIZCTEOSA-N 2 2 261.413 3.094 20 0 CGADLP Fc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001198952661 811553376 /nfs/dbraw/zinc/55/33/76/811553376.db2.gz RIPDPRHVZXTERK-UHFFFAOYSA-N 2 2 287.363 3.363 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C2CCC2)CC1 ZINC001200837558 811752695 /nfs/dbraw/zinc/75/26/95/811752695.db2.gz BYTBPSGFHRRJGH-OOHWJJMZSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(C2CCC2)CC1 ZINC001200837558 811752700 /nfs/dbraw/zinc/75/27/00/811752700.db2.gz BYTBPSGFHRRJGH-OOHWJJMZSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201482057 811857806 /nfs/dbraw/zinc/85/78/06/811857806.db2.gz CPAVBJSPGANPNU-UHFFFAOYSA-N 2 2 278.415 3.378 20 0 CGADLP CC(C)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001201482057 811857812 /nfs/dbraw/zinc/85/78/12/811857812.db2.gz CPAVBJSPGANPNU-UHFFFAOYSA-N 2 2 278.415 3.378 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001201609211 811920292 /nfs/dbraw/zinc/92/02/92/811920292.db2.gz DIZLQJLJEQWXDE-KRWDZBQOSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001201609211 811920296 /nfs/dbraw/zinc/92/02/96/811920296.db2.gz DIZLQJLJEQWXDE-KRWDZBQOSA-N 2 2 282.387 3.086 20 0 CGADLP CCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201757068 811961707 /nfs/dbraw/zinc/96/17/07/811961707.db2.gz UPUAAXPMHJMYPO-HNNXBMFYSA-N 2 2 262.397 3.423 20 0 CGADLP CCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201757068 811961713 /nfs/dbraw/zinc/96/17/13/811961713.db2.gz UPUAAXPMHJMYPO-HNNXBMFYSA-N 2 2 262.397 3.423 20 0 CGADLP CC(C)[N@H+](CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202444995 812097380 /nfs/dbraw/zinc/09/73/80/812097380.db2.gz RYUBBZSLTSMAQS-UHFFFAOYSA-N 2 2 266.351 3.134 20 0 CGADLP CC(C)[N@@H+](CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202444995 812097387 /nfs/dbraw/zinc/09/73/87/812097387.db2.gz RYUBBZSLTSMAQS-UHFFFAOYSA-N 2 2 266.351 3.134 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c(C)[nH+]1 ZINC001203244059 812278963 /nfs/dbraw/zinc/27/89/63/812278963.db2.gz QTTOERSXXVXZRR-OAHLLOKOSA-N 2 2 299.418 3.242 20 0 CGADLP CCc1[nH]c(C[N@H+]2CC[C@@H](Oc3ccccc3C)C2)c(C)[nH+]1 ZINC001203244059 812278967 /nfs/dbraw/zinc/27/89/67/812278967.db2.gz QTTOERSXXVXZRR-OAHLLOKOSA-N 2 2 299.418 3.242 20 0 CGADLP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283752 812292311 /nfs/dbraw/zinc/29/23/11/812292311.db2.gz MQXQZYCIUJSFGH-QZTJIDSGSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283752 812292317 /nfs/dbraw/zinc/29/23/17/812292317.db2.gz MQXQZYCIUJSFGH-QZTJIDSGSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283752 812292320 /nfs/dbraw/zinc/29/23/20/812292320.db2.gz MQXQZYCIUJSFGH-QZTJIDSGSA-N 2 2 296.414 3.234 20 0 CGADLP c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001203283752 812292326 /nfs/dbraw/zinc/29/23/26/812292326.db2.gz MQXQZYCIUJSFGH-QZTJIDSGSA-N 2 2 296.414 3.234 20 0 CGADLP Cc1ccc(Nc2c[nH+]c3cccc(C)n23)c(C)[nH+]1 ZINC001203368719 812325445 /nfs/dbraw/zinc/32/54/45/812325445.db2.gz FVARIJOOTZKLKH-UHFFFAOYSA-N 2 2 252.321 3.398 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989226 812511858 /nfs/dbraw/zinc/51/18/58/812511858.db2.gz ZUQXGLDCIWBTOP-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989226 812511863 /nfs/dbraw/zinc/51/18/63/812511863.db2.gz ZUQXGLDCIWBTOP-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989226 812511869 /nfs/dbraw/zinc/51/18/69/812511869.db2.gz ZUQXGLDCIWBTOP-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H]21 ZINC001203989226 812511872 /nfs/dbraw/zinc/51/18/72/812511872.db2.gz ZUQXGLDCIWBTOP-MJGOQNOKSA-N 2 2 280.415 3.366 20 0 CGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001204782813 812734906 /nfs/dbraw/zinc/73/49/06/812734906.db2.gz KDEVHDRAPYGUKP-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001204782813 812734914 /nfs/dbraw/zinc/73/49/14/812734914.db2.gz KDEVHDRAPYGUKP-INIZCTEOSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccccc2C(F)(F)F)CC12CC2 ZINC001204903677 812769528 /nfs/dbraw/zinc/76/95/28/812769528.db2.gz BGRNAUSNEQLYML-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccccc2C(F)(F)F)CC12CC2 ZINC001204903677 812769532 /nfs/dbraw/zinc/76/95/32/812769532.db2.gz BGRNAUSNEQLYML-CQSZACIVSA-N 2 2 298.352 3.061 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CC12CC2 ZINC001204904731 812770218 /nfs/dbraw/zinc/77/02/18/812770218.db2.gz YGRMHZOTKLYQJA-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC12CC2 ZINC001204904731 812770220 /nfs/dbraw/zinc/77/02/20/812770220.db2.gz YGRMHZOTKLYQJA-GOSISDBHSA-N 2 2 278.399 3.277 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@](C)([NH3+])C3)cc2c1 ZINC001204947275 812792809 /nfs/dbraw/zinc/79/28/09/812792809.db2.gz XCRAZMXUTIIFNT-INIZCTEOSA-N 2 2 290.432 3.223 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@](C)([NH3+])C3)cc2c1 ZINC001204947275 812792813 /nfs/dbraw/zinc/79/28/13/812792813.db2.gz XCRAZMXUTIIFNT-INIZCTEOSA-N 2 2 290.432 3.223 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2scc(C)c2Cl)C1 ZINC001205009377 812823281 /nfs/dbraw/zinc/82/32/81/812823281.db2.gz PSZGGHLPIOMMIV-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2scc(C)c2Cl)C1 ZINC001205009377 812823291 /nfs/dbraw/zinc/82/32/91/812823291.db2.gz PSZGGHLPIOMMIV-NSHDSACASA-N 2 2 272.845 3.141 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205075753 812849896 /nfs/dbraw/zinc/84/98/96/812849896.db2.gz LQAGPUXOMWRLRH-ZFWWWQNUSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-c2ccccc2)o1 ZINC001205075753 812849907 /nfs/dbraw/zinc/84/99/07/812849907.db2.gz LQAGPUXOMWRLRH-ZFWWWQNUSA-N 2 2 270.376 3.258 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(F)cc1Cl ZINC001205124447 812878881 /nfs/dbraw/zinc/87/88/81/812878881.db2.gz RPOHVAPGAXYOHV-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(F)cc1Cl ZINC001205124447 812878888 /nfs/dbraw/zinc/87/88/88/812878888.db2.gz RPOHVAPGAXYOHV-LBPRGKRZSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(Cl)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205150403 812887168 /nfs/dbraw/zinc/88/71/68/812887168.db2.gz BEIIXXIENZHBHM-WDEREUQCSA-N 2 2 287.234 3.328 20 0 CGADLP Cc1cc(Cl)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205150403 812887177 /nfs/dbraw/zinc/88/71/77/812887177.db2.gz BEIIXXIENZHBHM-WDEREUQCSA-N 2 2 287.234 3.328 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205266738 812921229 /nfs/dbraw/zinc/92/12/29/812921229.db2.gz XBBNPQNDSJUPNE-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2Cl)CC1 ZINC001205266738 812921233 /nfs/dbraw/zinc/92/12/33/812921233.db2.gz XBBNPQNDSJUPNE-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205273446 812926185 /nfs/dbraw/zinc/92/61/85/812926185.db2.gz LBRJQZDUJKVECD-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)CC1 ZINC001205273446 812926189 /nfs/dbraw/zinc/92/61/89/812926189.db2.gz LBRJQZDUJKVECD-AWEZNQCLSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205289195 812933364 /nfs/dbraw/zinc/93/33/64/812933364.db2.gz USLPGGXMRGZSPP-LBPRGKRZSA-N 2 2 292.370 3.470 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2csc(C(F)(F)F)c2)CC1 ZINC001205289195 812933367 /nfs/dbraw/zinc/93/33/67/812933367.db2.gz USLPGGXMRGZSPP-LBPRGKRZSA-N 2 2 292.370 3.470 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296161 812938011 /nfs/dbraw/zinc/93/80/11/812938011.db2.gz IFLSSFIMWXVELF-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205296161 812938014 /nfs/dbraw/zinc/93/80/14/812938014.db2.gz IFLSSFIMWXVELF-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205593433 813015127 /nfs/dbraw/zinc/01/51/27/813015127.db2.gz FNEQEOVKEXSCSO-UHFFFAOYSA-N 2 2 285.435 3.474 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205612195 813023864 /nfs/dbraw/zinc/02/38/64/813023864.db2.gz QVDRHXQSVPJEBP-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205612195 813023873 /nfs/dbraw/zinc/02/38/73/813023873.db2.gz QVDRHXQSVPJEBP-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205787029 813079205 /nfs/dbraw/zinc/07/92/05/813079205.db2.gz DNSWXDXVSHZUNY-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205787029 813079212 /nfs/dbraw/zinc/07/92/12/813079212.db2.gz DNSWXDXVSHZUNY-GFCCVEGCSA-N 2 2 288.769 3.064 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805556 813085043 /nfs/dbraw/zinc/08/50/43/813085043.db2.gz RBADMECHIHDROE-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805556 813085048 /nfs/dbraw/zinc/08/50/48/813085048.db2.gz RBADMECHIHDROE-WBVHZDCISA-N 2 2 290.451 3.425 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205807201 813087110 /nfs/dbraw/zinc/08/71/10/813087110.db2.gz YOXOUNKVGRXDFJ-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205807201 813087113 /nfs/dbraw/zinc/08/71/13/813087113.db2.gz YOXOUNKVGRXDFJ-GDBMZVCRSA-N 2 2 276.424 3.033 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868932 813114075 /nfs/dbraw/zinc/11/40/75/813114075.db2.gz XKNWMXBZTZRXNF-KDOFPFPSSA-N 2 2 298.430 3.408 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868932 813114078 /nfs/dbraw/zinc/11/40/78/813114078.db2.gz XKNWMXBZTZRXNF-KDOFPFPSSA-N 2 2 298.430 3.408 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1[NH3+] ZINC001205871973 813114777 /nfs/dbraw/zinc/11/47/77/813114777.db2.gz AQLAFVRDRQGUFV-VLIAUNLRSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1[NH3+] ZINC001205871973 813114783 /nfs/dbraw/zinc/11/47/83/813114783.db2.gz AQLAFVRDRQGUFV-VLIAUNLRSA-N 2 2 292.426 3.427 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001205903484 813127014 /nfs/dbraw/zinc/12/70/14/813127014.db2.gz PORAKBCFLQKSMH-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Cl ZINC001205903484 813127021 /nfs/dbraw/zinc/12/70/21/813127021.db2.gz PORAKBCFLQKSMH-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205913229 813129275 /nfs/dbraw/zinc/12/92/75/813129275.db2.gz HQWWCLMLCQMAGC-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Cl ZINC001205913229 813129277 /nfs/dbraw/zinc/12/92/77/813129277.db2.gz HQWWCLMLCQMAGC-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1C(C)C ZINC001205932047 813139272 /nfs/dbraw/zinc/13/92/72/813139272.db2.gz OKBJFTRUNUPHEI-INIZCTEOSA-N 2 2 290.451 3.440 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1C(C)C ZINC001205932047 813139274 /nfs/dbraw/zinc/13/92/74/813139274.db2.gz OKBJFTRUNUPHEI-INIZCTEOSA-N 2 2 290.451 3.440 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205932278 813139278 /nfs/dbraw/zinc/13/92/78/813139278.db2.gz PPAPRJRZGAVDTC-ZDUSSCGKSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001205932278 813139280 /nfs/dbraw/zinc/13/92/80/813139280.db2.gz PPAPRJRZGAVDTC-ZDUSSCGKSA-N 2 2 277.799 3.135 20 0 CGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205939836 813141645 /nfs/dbraw/zinc/14/16/45/813141645.db2.gz UHUNEXNBHGWKBI-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001205939836 813141652 /nfs/dbraw/zinc/14/16/52/813141652.db2.gz UHUNEXNBHGWKBI-AWEZNQCLSA-N 2 2 289.810 3.201 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001206477830 813330708 /nfs/dbraw/zinc/33/07/08/813330708.db2.gz QQVXWBVPQUTPPQ-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001206477830 813330714 /nfs/dbraw/zinc/33/07/14/813330714.db2.gz QQVXWBVPQUTPPQ-JYJNAYRXSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001206550049 813349493 /nfs/dbraw/zinc/34/94/93/813349493.db2.gz UFZBJKOOSBPYAT-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001206550049 813349500 /nfs/dbraw/zinc/34/95/00/813349500.db2.gz UFZBJKOOSBPYAT-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771026 813431985 /nfs/dbraw/zinc/43/19/85/813431985.db2.gz VSLFJDDWOSYQEH-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1ccc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771026 813431988 /nfs/dbraw/zinc/43/19/88/813431988.db2.gz VSLFJDDWOSYQEH-OLZOCXBDSA-N 2 2 296.842 3.298 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207947421 813675959 /nfs/dbraw/zinc/67/59/59/813675959.db2.gz DRUOVXUHUQSXRR-UHFFFAOYSA-N 2 2 278.440 3.327 20 0 CGADLP CC[N@H+](CC[C@@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208155402 813712407 /nfs/dbraw/zinc/71/24/07/813712407.db2.gz NWTAXFLLNZZXNL-CQSZACIVSA-N 2 2 278.440 3.498 20 0 CGADLP CC[N@@H+](CC[C@@H](C)c1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001208155402 813712413 /nfs/dbraw/zinc/71/24/13/813712413.db2.gz NWTAXFLLNZZXNL-CQSZACIVSA-N 2 2 278.440 3.498 20 0 CGADLP CC(C)CCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208735021 813825520 /nfs/dbraw/zinc/82/55/20/813825520.db2.gz QRKANNDNNVRJRG-UHFFFAOYSA-N 2 2 262.397 3.361 20 0 CGADLP CC[N@H+](CCCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208773812 813838901 /nfs/dbraw/zinc/83/89/01/813838901.db2.gz VZTFNRIMICIUTO-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP CC[N@@H+](CCCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001208773812 813838911 /nfs/dbraw/zinc/83/89/11/813838911.db2.gz VZTFNRIMICIUTO-UHFFFAOYSA-N 2 2 278.415 3.174 20 0 CGADLP Nc1cc[nH+]cc1C[NH+]1CCC(Sc2ccccc2)CC1 ZINC001209737855 814124814 /nfs/dbraw/zinc/12/48/14/814124814.db2.gz SLZPFXJPKCONPP-UHFFFAOYSA-N 2 2 299.443 3.251 20 0 CGADLP C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1c[nH+]ccc1N ZINC001209731654 814124864 /nfs/dbraw/zinc/12/48/64/814124864.db2.gz UQUFYTJHBLPDIL-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1c[nH+]ccc1N ZINC001209731654 814124869 /nfs/dbraw/zinc/12/48/69/814124869.db2.gz UQUFYTJHBLPDIL-UHFFFAOYSA-N 2 2 295.308 3.145 20 0 CGADLP Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)n(-c2cc[nH+]cc2)n1 ZINC001209847921 814165671 /nfs/dbraw/zinc/16/56/71/814165671.db2.gz JNZNMUJYISXOIL-UHFFFAOYSA-N 2 2 290.330 3.196 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2cccc(-c3ccc(C)cc3)c2)C1 ZINC001210560944 814526957 /nfs/dbraw/zinc/52/69/57/814526957.db2.gz GJJXSUWIEUKLFG-UHFFFAOYSA-N 2 2 280.415 3.313 20 0 CGADLP COc1cc[nH+]cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210704671 814588842 /nfs/dbraw/zinc/58/88/42/814588842.db2.gz JCHCTOQPSNOWLK-CQSZACIVSA-N 2 2 273.380 3.034 20 0 CGADLP CCc1[nH+]ccc(C)c1Nc1ccc(C[NH2+]C)cc1 ZINC001211129367 814755012 /nfs/dbraw/zinc/75/50/12/814755012.db2.gz CSRKQESOQOXGTI-UHFFFAOYSA-N 2 2 255.365 3.415 20 0 CGADLP C[NH2+]Cc1ccc(Nc2cc[nH+]c(SC)c2)cc1 ZINC001211130833 814757752 /nfs/dbraw/zinc/75/77/52/814757752.db2.gz ZVXCVVURPWQLCU-UHFFFAOYSA-N 2 2 259.378 3.267 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222191885 816371920 /nfs/dbraw/zinc/37/19/20/816371920.db2.gz QNKHKTPRYFHLTK-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222191885 816371927 /nfs/dbraw/zinc/37/19/27/816371927.db2.gz QNKHKTPRYFHLTK-INIZCTEOSA-N 2 2 278.827 3.101 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222356272 816418437 /nfs/dbraw/zinc/41/84/37/816418437.db2.gz YATRXBHDOSFMCF-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC001222356272 816418444 /nfs/dbraw/zinc/41/84/44/816418444.db2.gz YATRXBHDOSFMCF-SFHVURJKSA-N 2 2 288.435 3.030 20 0 CGADLP Cc1cccc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)c1 ZINC001222380121 816423114 /nfs/dbraw/zinc/42/31/14/816423114.db2.gz SPYGHIYMWPACTK-UHFFFAOYSA-N 2 2 292.426 3.457 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427233 816443064 /nfs/dbraw/zinc/44/30/64/816443064.db2.gz OSXXSVPJWICVPG-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c21 ZINC001222427233 816443067 /nfs/dbraw/zinc/44/30/67/816443067.db2.gz OSXXSVPJWICVPG-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1C ZINC001231485014 818108866 /nfs/dbraw/zinc/10/88/66/818108866.db2.gz GLOUBXTZYJRWLZ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1C ZINC001231485014 818108869 /nfs/dbraw/zinc/10/88/69/818108869.db2.gz GLOUBXTZYJRWLZ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1C ZINC001231485014 818108872 /nfs/dbraw/zinc/10/88/72/818108872.db2.gz GLOUBXTZYJRWLZ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1C ZINC001231485014 818108876 /nfs/dbraw/zinc/10/88/76/818108876.db2.gz GLOUBXTZYJRWLZ-FUHWJXTLSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)[N@H+](Cc1ccc(Cl)c(O)c1)C1CC[NH+](C)CC1 ZINC001231735599 818164494 /nfs/dbraw/zinc/16/44/94/818164494.db2.gz QXGBEUIUEYWZLS-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(Cl)c(O)c1)C1CC[NH+](C)CC1 ZINC001231735599 818164497 /nfs/dbraw/zinc/16/44/97/818164497.db2.gz QXGBEUIUEYWZLS-UHFFFAOYSA-N 2 2 296.842 3.350 20 0 CGADLP C[NH+](C)CCC[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232727406 818424194 /nfs/dbraw/zinc/42/41/94/818424194.db2.gz ZIWOVCGLZXJGRM-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccc(Cl)cc2[nH]1 ZINC001232727406 818424197 /nfs/dbraw/zinc/42/41/97/818424197.db2.gz ZIWOVCGLZXJGRM-UHFFFAOYSA-N 2 2 279.815 3.205 20 0 CGADLP CC[N@H+](Cc1cc2cccnc2s1)C1CC[NH+](C)CC1 ZINC001233348216 818592574 /nfs/dbraw/zinc/59/25/74/818592574.db2.gz SFKDFONEUBBSMV-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP CC[N@@H+](Cc1cc2cccnc2s1)C1CC[NH+](C)CC1 ZINC001233348216 818592577 /nfs/dbraw/zinc/59/25/77/818592577.db2.gz SFKDFONEUBBSMV-UHFFFAOYSA-N 2 2 289.448 3.212 20 0 CGADLP COc1cc(C[N@H+](C)C2CC(C)C2)ccc1-n1cc[nH+]c1 ZINC001234032068 818762009 /nfs/dbraw/zinc/76/20/09/818762009.db2.gz GASLDCQCHNYJMC-UHFFFAOYSA-N 2 2 285.391 3.111 20 0 CGADLP COc1cc(C[N@@H+](C)C2CC(C)C2)ccc1-n1cc[nH+]c1 ZINC001234032068 818762014 /nfs/dbraw/zinc/76/20/14/818762014.db2.gz GASLDCQCHNYJMC-UHFFFAOYSA-N 2 2 285.391 3.111 20 0 CGADLP COc1cc(C[N@H+](C)CCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234076162 818772645 /nfs/dbraw/zinc/77/26/45/818772645.db2.gz RKUVNDDYDWNOMZ-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP COc1cc(C[N@@H+](C)CCC2CC2)ccc1-n1cc[nH+]c1 ZINC001234076162 818772651 /nfs/dbraw/zinc/77/26/51/818772651.db2.gz RKUVNDDYDWNOMZ-UHFFFAOYSA-N 2 2 285.391 3.113 20 0 CGADLP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cccc1-c1ccccc1 ZINC001235005752 818976078 /nfs/dbraw/zinc/97/60/78/818976078.db2.gz INAYREYDFOGDHX-FXAWDEMLSA-N 2 2 292.426 3.456 20 0 CGADLP Cc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cccc1-c1ccccc1 ZINC001235005752 818976081 /nfs/dbraw/zinc/97/60/81/818976081.db2.gz INAYREYDFOGDHX-FXAWDEMLSA-N 2 2 292.426 3.456 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235031113 818984886 /nfs/dbraw/zinc/98/48/86/818984886.db2.gz CLLLUMQVKPPYEB-MRXNPFEDSA-N 2 2 278.827 3.088 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC001235031113 818984893 /nfs/dbraw/zinc/98/48/93/818984893.db2.gz CLLLUMQVKPPYEB-MRXNPFEDSA-N 2 2 278.827 3.088 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036812 818986478 /nfs/dbraw/zinc/98/64/78/818986478.db2.gz BPOCCVKMEUIHHD-PVGHXWSTSA-N 2 2 274.452 3.029 20 0 CGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036812 818986482 /nfs/dbraw/zinc/98/64/82/818986482.db2.gz BPOCCVKMEUIHHD-PVGHXWSTSA-N 2 2 274.452 3.029 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235039572 818988745 /nfs/dbraw/zinc/98/87/45/818988745.db2.gz VTIBLAHPQYGTCT-MDASCCDHSA-N 2 2 280.415 3.380 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1cccc2ccccc21 ZINC001235039572 818988751 /nfs/dbraw/zinc/98/87/51/818988751.db2.gz VTIBLAHPQYGTCT-MDASCCDHSA-N 2 2 280.415 3.380 20 0 CGADLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046263 818990805 /nfs/dbraw/zinc/99/08/05/818990805.db2.gz OLDJWXPETDMAHI-INIZCTEOSA-N 2 2 294.826 3.154 20 0 CGADLP Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235046263 818990814 /nfs/dbraw/zinc/99/08/14/818990814.db2.gz OLDJWXPETDMAHI-INIZCTEOSA-N 2 2 294.826 3.154 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc(C)c1O ZINC001235168011 819021452 /nfs/dbraw/zinc/02/14/52/819021452.db2.gz QBSZKIIUHJLBGD-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc(C)c1O ZINC001235168011 819021456 /nfs/dbraw/zinc/02/14/56/819021456.db2.gz QBSZKIIUHJLBGD-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cn1ccc2ccc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)cc21 ZINC001235167245 819021573 /nfs/dbraw/zinc/02/15/73/819021573.db2.gz GPCSBUFNVUKVSK-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2ccc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)cc21 ZINC001235167245 819021577 /nfs/dbraw/zinc/02/15/77/819021577.db2.gz GPCSBUFNVUKVSK-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235174727 819023848 /nfs/dbraw/zinc/02/38/48/819023848.db2.gz XODMPHZIPMDLLM-FUHWJXTLSA-N 2 2 272.436 3.297 20 0 CGADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235174727 819023850 /nfs/dbraw/zinc/02/38/50/819023850.db2.gz XODMPHZIPMDLLM-FUHWJXTLSA-N 2 2 272.436 3.297 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235173593 819023921 /nfs/dbraw/zinc/02/39/21/819023921.db2.gz PTBMIVQQJOELST-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1C ZINC001235173593 819023929 /nfs/dbraw/zinc/02/39/29/819023929.db2.gz PTBMIVQQJOELST-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235245499 819046485 /nfs/dbraw/zinc/04/64/85/819046485.db2.gz PKQYVCQIPJFULU-CRAIPNDOSA-N 2 2 282.387 3.260 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)o1)C2 ZINC001235245499 819046491 /nfs/dbraw/zinc/04/64/91/819046491.db2.gz PKQYVCQIPJFULU-CRAIPNDOSA-N 2 2 282.387 3.260 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001235262177 819055248 /nfs/dbraw/zinc/05/52/48/819055248.db2.gz KEGLLESGTNIKKO-CABCVRRESA-N 2 2 278.827 3.141 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001235262177 819055250 /nfs/dbraw/zinc/05/52/50/819055250.db2.gz KEGLLESGTNIKKO-CABCVRRESA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235264869 819056688 /nfs/dbraw/zinc/05/66/88/819056688.db2.gz QVRWVAXBPNLHEX-ZFWWWQNUSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235264869 819056694 /nfs/dbraw/zinc/05/66/94/819056694.db2.gz QVRWVAXBPNLHEX-ZFWWWQNUSA-N 2 2 278.827 3.141 20 0 CGADLP C[N@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCC[NH2+]C1 ZINC001235342082 819072740 /nfs/dbraw/zinc/07/27/40/819072740.db2.gz IFBSZHUOMXCYMM-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP C[N@@H+](Cc1cccc2[nH]cc(Cl)c21)[C@@H]1CCC[NH2+]C1 ZINC001235342082 819072745 /nfs/dbraw/zinc/07/27/45/819072745.db2.gz IFBSZHUOMXCYMM-GFCCVEGCSA-N 2 2 277.799 3.005 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001235360677 819077756 /nfs/dbraw/zinc/07/77/56/819077756.db2.gz AITFFSAMDKGQSD-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001235360677 819077759 /nfs/dbraw/zinc/07/77/59/819077759.db2.gz AITFFSAMDKGQSD-HNNXBMFYSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235360769 819078314 /nfs/dbraw/zinc/07/83/14/819078314.db2.gz BRFJJIGXDDJIIA-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235360769 819078321 /nfs/dbraw/zinc/07/83/21/819078321.db2.gz BRFJJIGXDDJIIA-KRWDZBQOSA-N 2 2 270.351 3.026 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235405842 819087163 /nfs/dbraw/zinc/08/71/63/819087163.db2.gz PECNBGCMHPZHTR-HOCLYGCPSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1Cl ZINC001235405842 819087167 /nfs/dbraw/zinc/08/71/67/819087167.db2.gz PECNBGCMHPZHTR-HOCLYGCPSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1Cl ZINC001235409254 819088591 /nfs/dbraw/zinc/08/85/91/819088591.db2.gz VUBSFPRBEKYCTD-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1Cl ZINC001235409254 819088595 /nfs/dbraw/zinc/08/85/95/819088595.db2.gz VUBSFPRBEKYCTD-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC(F)(F)F ZINC001235435210 819098235 /nfs/dbraw/zinc/09/82/35/819098235.db2.gz CKYHVPPCVKSDQV-UHFFFAOYSA-N 2 2 296.720 3.019 20 0 CGADLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC(F)(F)F ZINC001235435210 819098237 /nfs/dbraw/zinc/09/82/37/819098237.db2.gz CKYHVPPCVKSDQV-UHFFFAOYSA-N 2 2 296.720 3.019 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712646 819148627 /nfs/dbraw/zinc/14/86/27/819148627.db2.gz FFBOMDMYNXHNRQ-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235712646 819148631 /nfs/dbraw/zinc/14/86/31/819148631.db2.gz FFBOMDMYNXHNRQ-UHFFFAOYSA-N 2 2 288.435 3.049 20 0 CGADLP CC[NH2+]C1CC[NH+](Cc2ccc3ccsc3c2)CC1 ZINC001235725553 819153443 /nfs/dbraw/zinc/15/34/43/819153443.db2.gz JGKKGNJTSGAZNB-UHFFFAOYSA-N 2 2 274.433 3.475 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842617 819185485 /nfs/dbraw/zinc/18/54/85/819185485.db2.gz PVKCTYFAZMGHOO-CYBMUJFWSA-N 2 2 296.842 3.169 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842617 819185491 /nfs/dbraw/zinc/18/54/91/819185491.db2.gz PVKCTYFAZMGHOO-CYBMUJFWSA-N 2 2 296.842 3.169 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891988 819200222 /nfs/dbraw/zinc/20/02/22/819200222.db2.gz JFOLBSXVCRLQMD-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235891988 819200226 /nfs/dbraw/zinc/20/02/26/819200226.db2.gz JFOLBSXVCRLQMD-HIFRSBDPSA-N 2 2 284.403 3.160 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907656 819217045 /nfs/dbraw/zinc/21/70/45/819217045.db2.gz RWHUNWBXVRAJDA-KDOFPFPSSA-N 2 2 297.446 3.217 20 0 CGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907656 819217049 /nfs/dbraw/zinc/21/70/49/819217049.db2.gz RWHUNWBXVRAJDA-KDOFPFPSSA-N 2 2 297.446 3.217 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907657 819217179 /nfs/dbraw/zinc/21/71/79/819217179.db2.gz RWHUNWBXVRAJDA-KSSFIOAISA-N 2 2 297.446 3.217 20 0 CGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001235907657 819217184 /nfs/dbraw/zinc/21/71/84/819217184.db2.gz RWHUNWBXVRAJDA-KSSFIOAISA-N 2 2 297.446 3.217 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC001235925530 819224574 /nfs/dbraw/zinc/22/45/74/819224574.db2.gz SOVMWMYNXMIAOF-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC001235925530 819224577 /nfs/dbraw/zinc/22/45/77/819224577.db2.gz SOVMWMYNXMIAOF-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1ccc(Br)cc1 ZINC001235961374 819250035 /nfs/dbraw/zinc/25/00/35/819250035.db2.gz BCPFKDZTTICOMZ-ZDUSSCGKSA-N 2 2 285.229 3.008 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1ccc(Br)cc1 ZINC001235961374 819250040 /nfs/dbraw/zinc/25/00/40/819250040.db2.gz BCPFKDZTTICOMZ-ZDUSSCGKSA-N 2 2 285.229 3.008 20 0 CGADLP CC[N@H+](Cc1cccc2sccc21)[C@H]1CC[NH2+]C1 ZINC001235975712 819255990 /nfs/dbraw/zinc/25/59/90/819255990.db2.gz NZMWRMYYBZPHCS-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP CC[N@@H+](Cc1cccc2sccc21)[C@H]1CC[NH2+]C1 ZINC001235975712 819255996 /nfs/dbraw/zinc/25/59/96/819255996.db2.gz NZMWRMYYBZPHCS-ZDUSSCGKSA-N 2 2 260.406 3.085 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236008755 819272635 /nfs/dbraw/zinc/27/26/35/819272635.db2.gz IVNAAIGGODWVCH-MRXNPFEDSA-N 2 2 260.425 3.131 20 0 CGADLP CCc1cccc(C)c1C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236008755 819272642 /nfs/dbraw/zinc/27/26/42/819272642.db2.gz IVNAAIGGODWVCH-MRXNPFEDSA-N 2 2 260.425 3.131 20 0 CGADLP [NH3+][C@H](C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12)c1ccccc1 ZINC001236108690 819324184 /nfs/dbraw/zinc/32/41/84/819324184.db2.gz MJZTWOMPFSLXDH-JTDSTZFVSA-N 2 2 278.399 3.273 20 0 CGADLP [NH3+][C@H](C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12)c1ccccc1 ZINC001236108690 819324186 /nfs/dbraw/zinc/32/41/86/819324186.db2.gz MJZTWOMPFSLXDH-JTDSTZFVSA-N 2 2 278.399 3.273 20 0 CGADLP CC[N@H+](CC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001236140902 819340978 /nfs/dbraw/zinc/34/09/78/819340978.db2.gz ALYDTYBLHZXUPB-UHFFFAOYSA-N 2 2 286.872 3.491 20 0 CGADLP CC[N@@H+](CC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001236140902 819340984 /nfs/dbraw/zinc/34/09/84/819340984.db2.gz ALYDTYBLHZXUPB-UHFFFAOYSA-N 2 2 286.872 3.491 20 0 CGADLP CCc1cccc(C)c1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204892 819367024 /nfs/dbraw/zinc/36/70/24/819367024.db2.gz CQLFVHMBSUQQOM-KRWDZBQOSA-N 2 2 260.425 3.131 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236204892 819367029 /nfs/dbraw/zinc/36/70/29/819367029.db2.gz CQLFVHMBSUQQOM-KRWDZBQOSA-N 2 2 260.425 3.131 20 0 CGADLP C[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205359 819367274 /nfs/dbraw/zinc/36/72/74/819367274.db2.gz DRBOZCZQQFVWRE-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205359 819367280 /nfs/dbraw/zinc/36/72/80/819367280.db2.gz DRBOZCZQQFVWRE-IBGZPJMESA-N 2 2 295.430 3.323 20 0 CGADLP C[N@H+](Cc1ccccc1C1CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208691 819370367 /nfs/dbraw/zinc/37/03/67/819370367.db2.gz UGPOXNPQKBIFHK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1ccccc1C1CC1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208691 819370369 /nfs/dbraw/zinc/37/03/69/819370369.db2.gz UGPOXNPQKBIFHK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+](Cc1cc2ccccc2s1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209772 819372539 /nfs/dbraw/zinc/37/25/39/819372539.db2.gz ZSBZASGWETVTOC-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP C[N@@H+](Cc1cc2ccccc2s1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209772 819372543 /nfs/dbraw/zinc/37/25/43/819372543.db2.gz ZSBZASGWETVTOC-INIZCTEOSA-N 2 2 274.433 3.475 20 0 CGADLP Cc1cccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235992 819395930 /nfs/dbraw/zinc/39/59/30/819395930.db2.gz IBLXIMHZNAZTHN-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1cccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC001236235992 819395938 /nfs/dbraw/zinc/39/59/38/819395938.db2.gz IBLXIMHZNAZTHN-INIZCTEOSA-N 2 2 283.419 3.193 20 0 CGADLP CCn1ccc2ccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001236241078 819400876 /nfs/dbraw/zinc/40/08/76/819400876.db2.gz QYAUCAVINBLLKG-SFHVURJKSA-N 2 2 297.446 3.378 20 0 CGADLP CCn1ccc2ccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc21 ZINC001236241078 819400882 /nfs/dbraw/zinc/40/08/82/819400882.db2.gz QYAUCAVINBLLKG-SFHVURJKSA-N 2 2 297.446 3.378 20 0 CGADLP c1ccc(C2CC2)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241724 819401123 /nfs/dbraw/zinc/40/11/23/819401123.db2.gz ULMWHGGQDKRRDV-QGZVFWFLSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc(C2CC2)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236241724 819401129 /nfs/dbraw/zinc/40/11/29/819401129.db2.gz ULMWHGGQDKRRDV-QGZVFWFLSA-N 2 2 270.420 3.280 20 0 CGADLP COc1cccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001236321547 819424490 /nfs/dbraw/zinc/42/44/90/819424490.db2.gz BTPWMKQXGDDUEG-KRWDZBQOSA-N 2 2 288.435 3.017 20 0 CGADLP CCC[N@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001236324010 819425379 /nfs/dbraw/zinc/42/53/79/819425379.db2.gz OLYOOWHBQIOPSV-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CCC[N@@H+](Cc1cc(C)c(F)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC001236324010 819425383 /nfs/dbraw/zinc/42/53/83/819425383.db2.gz OLYOOWHBQIOPSV-OAHLLOKOSA-N 2 2 264.388 3.016 20 0 CGADLP CC/C=C\CCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331697 819428495 /nfs/dbraw/zinc/42/84/95/819428495.db2.gz YHTZQZQUSVWKBE-VGOKWCNXSA-N 2 2 282.472 3.213 20 0 CGADLP CC/C=C\CCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331697 819428497 /nfs/dbraw/zinc/42/84/97/819428497.db2.gz YHTZQZQUSVWKBE-VGOKWCNXSA-N 2 2 282.472 3.213 20 0 CGADLP CC[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236407915 819456277 /nfs/dbraw/zinc/45/62/77/819456277.db2.gz INONIPLAMMRLQV-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236407915 819456281 /nfs/dbraw/zinc/45/62/81/819456281.db2.gz INONIPLAMMRLQV-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP Cc1cc2[nH+]ccn2cc1-c1cccc(C[NH+](C)C)c1 ZINC001236418848 819464460 /nfs/dbraw/zinc/46/44/60/819464460.db2.gz GMZRDAKQWQPJKF-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001236420921 819467284 /nfs/dbraw/zinc/46/72/84/819467284.db2.gz RCBWQWXUBTZLOB-WBVHZDCISA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc(C)c1OC(C)C ZINC001236420921 819467290 /nfs/dbraw/zinc/46/72/90/819467290.db2.gz RCBWQWXUBTZLOB-WBVHZDCISA-N 2 2 290.451 3.402 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421327 819467877 /nfs/dbraw/zinc/46/78/77/819467877.db2.gz UGVCMVLGYDMUQO-PBHICJAKSA-N 2 2 276.424 3.094 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236421327 819467881 /nfs/dbraw/zinc/46/78/81/819467881.db2.gz UGVCMVLGYDMUQO-PBHICJAKSA-N 2 2 276.424 3.094 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421937 819469016 /nfs/dbraw/zinc/46/90/16/819469016.db2.gz UVDJVBPQQFUMHX-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421937 819469019 /nfs/dbraw/zinc/46/90/19/819469019.db2.gz UVDJVBPQQFUMHX-RHSMWYFYSA-N 2 2 276.424 3.033 20 0 CGADLP Cn1ccc2c1cccc2C[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236520794 819513685 /nfs/dbraw/zinc/51/36/85/819513685.db2.gz AEBPRGKDVZVORA-UHFFFAOYSA-N 2 2 293.414 3.139 20 0 CGADLP Cn1ccc2c1cccc2C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236520794 819513692 /nfs/dbraw/zinc/51/36/92/819513692.db2.gz AEBPRGKDVZVORA-UHFFFAOYSA-N 2 2 293.414 3.139 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc(C)c1F ZINC001236527119 819517737 /nfs/dbraw/zinc/51/77/37/819517737.db2.gz GZPPQZYHZCKMTR-OAHLLOKOSA-N 2 2 264.388 3.015 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc(C)c1F ZINC001236527119 819517742 /nfs/dbraw/zinc/51/77/42/819517742.db2.gz GZPPQZYHZCKMTR-OAHLLOKOSA-N 2 2 264.388 3.015 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236604763 819551053 /nfs/dbraw/zinc/55/10/53/819551053.db2.gz MWHPEVLKSBVKCA-AWEZNQCLSA-N 2 2 287.234 3.207 20 0 CGADLP C[C@@]1(C[NH3+])CC[N@@H+](CCc2c(Cl)cccc2Cl)C1 ZINC001236604763 819551057 /nfs/dbraw/zinc/55/10/57/819551057.db2.gz MWHPEVLKSBVKCA-AWEZNQCLSA-N 2 2 287.234 3.207 20 0 CGADLP CCC(CC)[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC001236858965 819624743 /nfs/dbraw/zinc/62/47/43/819624743.db2.gz FXPJFEALGRVURR-QAPCUYQASA-N 2 2 290.451 3.227 20 0 CGADLP CCC(CC)[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC001236858965 819624745 /nfs/dbraw/zinc/62/47/45/819624745.db2.gz FXPJFEALGRVURR-QAPCUYQASA-N 2 2 290.451 3.227 20 0 CGADLP CC(C)[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H](C)c1ccccc1 ZINC001236861247 819626166 /nfs/dbraw/zinc/62/61/66/819626166.db2.gz XLXWRDIEDJFORR-HOCLYGCPSA-N 2 2 276.424 3.183 20 0 CGADLP CC(C)[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H](C)c1ccccc1 ZINC001236861247 819626167 /nfs/dbraw/zinc/62/61/67/819626167.db2.gz XLXWRDIEDJFORR-HOCLYGCPSA-N 2 2 276.424 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C(F)(F)F)ccc1C ZINC001236869426 819627367 /nfs/dbraw/zinc/62/73/67/819627367.db2.gz VTKXQFBRJUMKSO-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C(F)(F)F)ccc1C ZINC001236869426 819627370 /nfs/dbraw/zinc/62/73/70/819627370.db2.gz VTKXQFBRJUMKSO-ZDUSSCGKSA-N 2 2 274.330 3.183 20 0 CGADLP COc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236895778 819633119 /nfs/dbraw/zinc/63/31/19/819633119.db2.gz XZGZWDKYNXNUCO-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)cc1 ZINC001236895778 819633122 /nfs/dbraw/zinc/63/31/22/819633122.db2.gz XZGZWDKYNXNUCO-AWEZNQCLSA-N 2 2 284.403 3.141 20 0 CGADLP Clc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237143356 819676543 /nfs/dbraw/zinc/67/65/43/819676543.db2.gz DQAPUTRFOZQPDD-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237143356 819676547 /nfs/dbraw/zinc/67/65/47/819676547.db2.gz DQAPUTRFOZQPDD-MRXNPFEDSA-N 2 2 278.827 3.447 20 0 CGADLP CC[NH2+]CC[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266115 819712634 /nfs/dbraw/zinc/71/26/34/819712634.db2.gz UGCXFYHZJQTYLC-INIZCTEOSA-N 2 2 290.451 3.263 20 0 CGADLP CC[NH2+]CC[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266115 819712639 /nfs/dbraw/zinc/71/26/39/819712639.db2.gz UGCXFYHZJQTYLC-INIZCTEOSA-N 2 2 290.451 3.263 20 0 CGADLP CCc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237417602 819749076 /nfs/dbraw/zinc/74/90/76/819749076.db2.gz UYKRHFOPQATAQU-RDJZCZTQSA-N 2 2 292.854 3.476 20 0 CGADLP CCc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1Cl ZINC001237417602 819749083 /nfs/dbraw/zinc/74/90/83/819749083.db2.gz UYKRHFOPQATAQU-RDJZCZTQSA-N 2 2 292.854 3.476 20 0 CGADLP CCOc1cc(C[NH+]2CCC([N@H+](C)CC)CC2)ccc1C ZINC001238073990 819924170 /nfs/dbraw/zinc/92/41/70/819924170.db2.gz GTCWCICOOFKEPY-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1cc(C[NH+]2CCC([N@@H+](C)CC)CC2)ccc1C ZINC001238073990 819924179 /nfs/dbraw/zinc/92/41/79/819924179.db2.gz GTCWCICOOFKEPY-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCOc1cc(C[N@H+](CC)CCn2cc[nH+]c2)ccc1C ZINC001238077582 819927454 /nfs/dbraw/zinc/92/74/54/819927454.db2.gz UDNMRTQXFYHUKU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1cc(C[N@@H+](CC)CCn2cc[nH+]c2)ccc1C ZINC001238077582 819927459 /nfs/dbraw/zinc/92/74/59/819927459.db2.gz UDNMRTQXFYHUKU-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP Cc1ccc(Cl)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001238568825 820049260 /nfs/dbraw/zinc/04/92/60/820049260.db2.gz JLZKVQKWYNUGPD-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001238568825 820049269 /nfs/dbraw/zinc/04/92/69/820049269.db2.gz JLZKVQKWYNUGPD-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001238568825 820049278 /nfs/dbraw/zinc/04/92/78/820049278.db2.gz JLZKVQKWYNUGPD-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001238568825 820049286 /nfs/dbraw/zinc/04/92/86/820049286.db2.gz JLZKVQKWYNUGPD-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239488756 820340084 /nfs/dbraw/zinc/34/00/84/820340084.db2.gz FYUMMDWNDQEKAJ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001239488756 820340095 /nfs/dbraw/zinc/34/00/95/820340095.db2.gz FYUMMDWNDQEKAJ-QGZVFWFLSA-N 2 2 266.388 3.195 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc4[nH]ccc4c3)c2)C1 ZINC001239696512 820529009 /nfs/dbraw/zinc/52/90/09/820529009.db2.gz SDRGVAGYBGKOOL-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc4[nH]ccc4c3)c2)C1 ZINC001239696512 820529020 /nfs/dbraw/zinc/52/90/20/820529020.db2.gz SDRGVAGYBGKOOL-GOSISDBHSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccnc3C3CC3)cc2)C1 ZINC001243690423 823487384 /nfs/dbraw/zinc/48/73/84/823487384.db2.gz FLSUDWPXNJEJDB-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3C3CC3)cc2)C1 ZINC001243690423 823487389 /nfs/dbraw/zinc/48/73/89/823487389.db2.gz FLSUDWPXNJEJDB-QGZVFWFLSA-N 2 2 293.414 3.159 20 0 CGADLP CCc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239745949 820568240 /nfs/dbraw/zinc/56/82/40/820568240.db2.gz YANBRPXOMGUFFH-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239745949 820568243 /nfs/dbraw/zinc/56/82/43/820568243.db2.gz YANBRPXOMGUFFH-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP COCc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239936676 820716874 /nfs/dbraw/zinc/71/68/74/820716874.db2.gz AVURWDTYKRLLPL-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239936676 820716881 /nfs/dbraw/zinc/71/68/81/820716881.db2.gz AVURWDTYKRLLPL-LJQANCHMSA-N 2 2 296.414 3.033 20 0 CGADLP c1ccc(C[N@@H+]2CCC=C(c3cc[nH+]c4c3CCN4)C2)cc1 ZINC001240390610 821014416 /nfs/dbraw/zinc/01/44/16/821014416.db2.gz VYJRRWKNVNSVSH-UHFFFAOYSA-N 2 2 291.398 3.339 20 0 CGADLP c1ccc(C[N@H+]2CCC=C(c3cc[nH+]c4c3CCN4)C2)cc1 ZINC001240390610 821014426 /nfs/dbraw/zinc/01/44/26/821014426.db2.gz VYJRRWKNVNSVSH-UHFFFAOYSA-N 2 2 291.398 3.339 20 0 CGADLP Cc1ccc(C[NH+]2CCCC2)cc1-c1cc[nH+]c(N)c1 ZINC001241176040 821618639 /nfs/dbraw/zinc/61/86/39/821618639.db2.gz RPMMHTBBNSDDNB-UHFFFAOYSA-N 2 2 267.376 3.235 20 0 CGADLP Cc1ccc(C)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241190919 821626981 /nfs/dbraw/zinc/62/69/81/821626981.db2.gz KSKFHHWVLZMLEI-UHFFFAOYSA-N 2 2 277.371 3.305 20 0 CGADLP COc1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1C[NH+](C)C ZINC001241248456 821670471 /nfs/dbraw/zinc/67/04/71/821670471.db2.gz LMXAGULHYOXZGP-UHFFFAOYSA-N 2 2 299.418 3.193 20 0 CGADLP Cc1cc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001241994200 822263058 /nfs/dbraw/zinc/26/30/58/822263058.db2.gz HDOXQQHUHQJEKO-QGZVFWFLSA-N 2 2 268.360 3.106 20 0 CGADLP Cc1cc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc(C)[nH+]1 ZINC001241994196 822263600 /nfs/dbraw/zinc/26/36/00/822263600.db2.gz HDOXQQHUHQJEKO-KRWDZBQOSA-N 2 2 268.360 3.106 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cncc(C4CC4)c3)c2)C1 ZINC001242198382 822908230 /nfs/dbraw/zinc/90/82/30/822908230.db2.gz WCLFJTGTKYWBMH-IBGZPJMESA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cncc(C4CC4)c3)c2)C1 ZINC001242198382 822908231 /nfs/dbraw/zinc/90/82/31/822908231.db2.gz WCLFJTGTKYWBMH-IBGZPJMESA-N 2 2 293.414 3.159 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)[N@H+](C)C1CC1 ZINC001335442437 936146162 /nfs/dbraw/zinc/14/61/62/936146162.db2.gz YVVFXORRDFEIAE-LKSINWNRSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)[N@@H+](C)C1CC1 ZINC001335442437 936146165 /nfs/dbraw/zinc/14/61/65/936146165.db2.gz YVVFXORRDFEIAE-LKSINWNRSA-N 2 2 294.389 3.283 20 0 CGADLP Cn1c[nH+]cc1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC001354416131 937102092 /nfs/dbraw/zinc/10/20/92/937102092.db2.gz RIYMBORNKNEPST-UHFFFAOYSA-N 2 2 298.415 3.414 20 0 CGADLP CCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000072097477 928246248 /nfs/dbraw/zinc/24/62/48/928246248.db2.gz SJQLPMGICCRSGA-UHFFFAOYSA-N 2 2 299.418 3.462 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001459578854 937492670 /nfs/dbraw/zinc/49/26/70/937492670.db2.gz MJAVMDVLYZYTIJ-QGZVFWFLSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001459578854 937492673 /nfs/dbraw/zinc/49/26/73/937492673.db2.gz MJAVMDVLYZYTIJ-QGZVFWFLSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)n1 ZINC001459578854 937492674 /nfs/dbraw/zinc/49/26/74/937492674.db2.gz MJAVMDVLYZYTIJ-QGZVFWFLSA-N 2 2 289.467 3.313 20 0 CGADLP Cc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)n1 ZINC001459578854 937492677 /nfs/dbraw/zinc/49/26/77/937492677.db2.gz MJAVMDVLYZYTIJ-QGZVFWFLSA-N 2 2 289.467 3.313 20 0 CGADLP CCc1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)nc(C)[nH+]1 ZINC001155902912 931976488 /nfs/dbraw/zinc/97/64/88/931976488.db2.gz YPMODMRHHBFJQX-UHFFFAOYSA-N 2 2 294.402 3.367 20 0 CGADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c(Cl)c1 ZINC001461002489 937558507 /nfs/dbraw/zinc/55/85/07/937558507.db2.gz XKLKQDBDHUOWLZ-UHFFFAOYSA-N 2 2 284.831 3.026 20 0 CGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC001461372354 937577834 /nfs/dbraw/zinc/57/78/34/937577834.db2.gz DUJIGFHNYVFCFC-IIDMSEBBSA-N 2 2 287.451 3.385 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C)c1F ZINC001462198958 937624456 /nfs/dbraw/zinc/62/44/56/937624456.db2.gz MFIWRLUWRSRSFH-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C)c1F ZINC001462198958 937624458 /nfs/dbraw/zinc/62/44/58/937624458.db2.gz MFIWRLUWRSRSFH-UHFFFAOYSA-N 2 2 278.415 3.442 20 0 CGADLP CSc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001308233722 933077450 /nfs/dbraw/zinc/07/74/50/933077450.db2.gz IEBSPUDOTVDAJR-UHFFFAOYSA-N 2 2 299.399 3.477 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308258483 933082734 /nfs/dbraw/zinc/08/27/34/933082734.db2.gz HPDTUJVXRBIEFD-MSOLQXFVSA-N 2 2 296.499 3.293 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308258483 933082738 /nfs/dbraw/zinc/08/27/38/933082738.db2.gz HPDTUJVXRBIEFD-MSOLQXFVSA-N 2 2 296.499 3.293 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001308264889 933085350 /nfs/dbraw/zinc/08/53/50/933085350.db2.gz UTYRIYWVPPKDMM-HZPDHXFCSA-N 2 2 288.435 3.017 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001308264889 933085354 /nfs/dbraw/zinc/08/53/54/933085354.db2.gz UTYRIYWVPPKDMM-HZPDHXFCSA-N 2 2 288.435 3.017 20 0 CGADLP Cc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC001308360675 933101682 /nfs/dbraw/zinc/10/16/82/933101682.db2.gz OHSRGYAHTSNCOM-AWEZNQCLSA-N 2 2 295.390 3.063 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671046 937658286 /nfs/dbraw/zinc/65/82/86/937658286.db2.gz SQDSNLFKJLGUEO-RBSFLKMASA-N 2 2 275.440 3.474 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001462671046 937658287 /nfs/dbraw/zinc/65/82/87/937658287.db2.gz SQDSNLFKJLGUEO-RBSFLKMASA-N 2 2 275.440 3.474 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001308397033 933105266 /nfs/dbraw/zinc/10/52/66/933105266.db2.gz WAPGCRRGFCKNIB-OWCLPIDISA-N 2 2 296.499 3.290 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001308397033 933105269 /nfs/dbraw/zinc/10/52/69/933105269.db2.gz WAPGCRRGFCKNIB-OWCLPIDISA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001308415213 933108020 /nfs/dbraw/zinc/10/80/20/933108020.db2.gz UWINXWJHGPEJIT-KSZLIROESA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001308415213 933108023 /nfs/dbraw/zinc/10/80/23/933108023.db2.gz UWINXWJHGPEJIT-KSZLIROESA-N 2 2 296.499 3.028 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001308904791 933201076 /nfs/dbraw/zinc/20/10/76/933201076.db2.gz UQNBPVITLCODMQ-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904791 933201081 /nfs/dbraw/zinc/20/10/81/933201081.db2.gz UQNBPVITLCODMQ-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904791 933201086 /nfs/dbraw/zinc/20/10/86/933201086.db2.gz UQNBPVITLCODMQ-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904791 933201089 /nfs/dbraw/zinc/20/10/89/933201089.db2.gz UQNBPVITLCODMQ-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)CC(C)C ZINC001320248950 934019546 /nfs/dbraw/zinc/01/95/46/934019546.db2.gz VLKCGDRXXKLWDP-LBPRGKRZSA-N 2 2 286.379 3.196 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001473725658 937819035 /nfs/dbraw/zinc/81/90/35/937819035.db2.gz SZQQTLPRJPQJCH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001473725658 937819037 /nfs/dbraw/zinc/81/90/37/937819037.db2.gz SZQQTLPRJPQJCH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725658 937819039 /nfs/dbraw/zinc/81/90/39/937819039.db2.gz SZQQTLPRJPQJCH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001473725658 937819041 /nfs/dbraw/zinc/81/90/41/937819041.db2.gz SZQQTLPRJPQJCH-HOCLYGCPSA-N 2 2 278.827 3.174 20 0 CGADLP CC[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC001328789582 935169909 /nfs/dbraw/zinc/16/99/09/935169909.db2.gz SVHZRCHIUNDGCJ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP CC[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC001328789582 935169911 /nfs/dbraw/zinc/16/99/11/935169911.db2.gz SVHZRCHIUNDGCJ-AWEZNQCLSA-N 2 2 269.392 3.379 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001329747709 935243298 /nfs/dbraw/zinc/24/32/98/935243298.db2.gz AXTQTAYHAJSSFJ-RHSMWYFYSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329747709 935243302 /nfs/dbraw/zinc/24/33/02/935243302.db2.gz AXTQTAYHAJSSFJ-RHSMWYFYSA-N 2 2 281.403 3.074 20 0 CGADLP CC(C)C1(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001330619833 935303723 /nfs/dbraw/zinc/30/37/23/935303723.db2.gz XNOXRRLKWYCWDY-OAHLLOKOSA-N 2 2 275.440 3.111 20 0 CGADLP CC(C)C1(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC001330619833 935303729 /nfs/dbraw/zinc/30/37/29/935303729.db2.gz XNOXRRLKWYCWDY-OAHLLOKOSA-N 2 2 275.440 3.111 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(-c2ccccc2)no1 ZINC001332361659 935462110 /nfs/dbraw/zinc/46/21/10/935462110.db2.gz QGWAKTOCZANXQG-OAHLLOKOSA-N 2 2 299.418 3.478 20 0 CGADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]2C1 ZINC001333825026 936069356 /nfs/dbraw/zinc/06/93/56/936069356.db2.gz DEPZKJGNBROPNC-BRWVUGGUSA-N 2 2 295.430 3.401 20 0 CGADLP COCCCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCC1 ZINC001333850974 936071584 /nfs/dbraw/zinc/07/15/84/936071584.db2.gz RBIFNJKVYGKWRO-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP COCCCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCC1 ZINC001333850974 936071588 /nfs/dbraw/zinc/07/15/88/936071588.db2.gz RBIFNJKVYGKWRO-KRWDZBQOSA-N 2 2 294.483 3.190 20 0 CGADLP Cn1c[nH+]cc1C1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001473894987 937828496 /nfs/dbraw/zinc/82/84/96/937828496.db2.gz WRUUWAPNKQZFRA-QGZVFWFLSA-N 2 2 299.393 3.426 20 0 CGADLP C[NH+](C)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC001473946394 937831994 /nfs/dbraw/zinc/83/19/94/937831994.db2.gz CIARDBQIVBPVSF-UHFFFAOYSA-N 2 2 280.375 3.008 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CCC1 ZINC001474450014 937860579 /nfs/dbraw/zinc/86/05/79/937860579.db2.gz DXLUXVIWNCGDAB-KGLIPLIRSA-N 2 2 282.472 3.043 20 0 CGADLP Clc1cccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001474605035 937870087 /nfs/dbraw/zinc/87/00/87/937870087.db2.gz RHFGSWRSKYSTRF-IAGOWNOFSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001474605035 937870088 /nfs/dbraw/zinc/87/00/88/937870088.db2.gz RHFGSWRSKYSTRF-IAGOWNOFSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC001474658978 937873260 /nfs/dbraw/zinc/87/32/60/937873260.db2.gz YRSGVTJNOXDBAR-SFHVURJKSA-N 2 2 272.436 3.144 20 0 CGADLP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001474658978 937873262 /nfs/dbraw/zinc/87/32/62/937873262.db2.gz YRSGVTJNOXDBAR-SFHVURJKSA-N 2 2 272.436 3.144 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001474651055 937873347 /nfs/dbraw/zinc/87/33/47/937873347.db2.gz CETCLEZHKQAKBA-ZBFHGGJFSA-N 2 2 292.492 3.413 20 0 CGADLP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001474651055 937873349 /nfs/dbraw/zinc/87/33/49/937873349.db2.gz CETCLEZHKQAKBA-ZBFHGGJFSA-N 2 2 292.492 3.413 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1Cl ZINC001474671651 937874207 /nfs/dbraw/zinc/87/42/07/937874207.db2.gz ZTDRETRKRDBMLP-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1Cl ZINC001474671651 937874208 /nfs/dbraw/zinc/87/42/08/937874208.db2.gz ZTDRETRKRDBMLP-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1Cl ZINC001474671651 937874209 /nfs/dbraw/zinc/87/42/09/937874209.db2.gz ZTDRETRKRDBMLP-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1Cl ZINC001474671651 937874210 /nfs/dbraw/zinc/87/42/10/937874210.db2.gz ZTDRETRKRDBMLP-ZBFHGGJFSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001474744661 937878349 /nfs/dbraw/zinc/87/83/49/937878349.db2.gz KAUZJMZEJDMDIP-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001474744661 937878350 /nfs/dbraw/zinc/87/83/50/937878350.db2.gz KAUZJMZEJDMDIP-KFWWJZLASA-N 2 2 252.446 3.133 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC001550514913 938166876 /nfs/dbraw/zinc/16/68/76/938166876.db2.gz ANVPCNYQWXSRHC-KBPBESRZSA-N 2 2 284.394 3.171 20 0 CGADLP FC1(F)CC2(CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC001550514913 938166877 /nfs/dbraw/zinc/16/68/77/938166877.db2.gz ANVPCNYQWXSRHC-KBPBESRZSA-N 2 2 284.394 3.171 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551400496 938181444 /nfs/dbraw/zinc/18/14/44/938181444.db2.gz AZBHENRVWFMMIT-MOPGFXCFSA-N 2 2 296.414 3.188 20 0 CGADLP Cc1ccc([C@H](CF)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC001553291554 938198015 /nfs/dbraw/zinc/19/80/15/938198015.db2.gz OQKQUVZALFHKOT-CVEARBPZSA-N 2 2 278.415 3.373 20 0 CGADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(C)c(C)[nH+]1 ZINC001559238663 938223138 /nfs/dbraw/zinc/22/31/38/938223138.db2.gz RUSFMBQMKYXIOH-INIZCTEOSA-N 2 2 288.439 3.221 20 0 CGADLP Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(C)c(C)[nH+]1 ZINC001559238663 938223139 /nfs/dbraw/zinc/22/31/39/938223139.db2.gz RUSFMBQMKYXIOH-INIZCTEOSA-N 2 2 288.439 3.221 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001560245476 938249046 /nfs/dbraw/zinc/24/90/46/938249046.db2.gz BQIXLORHWSGQRX-DLBZAZTESA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001560245476 938249048 /nfs/dbraw/zinc/24/90/48/938249048.db2.gz BQIXLORHWSGQRX-DLBZAZTESA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)CCCC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001560808260 938277096 /nfs/dbraw/zinc/27/70/96/938277096.db2.gz VDCRBYHTKGUPJJ-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CC(C)CCCC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC001560808260 938277097 /nfs/dbraw/zinc/27/70/97/938277097.db2.gz VDCRBYHTKGUPJJ-MRXNPFEDSA-N 2 2 252.446 3.419 20 0 CGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC(C)C ZINC001560934622 938284865 /nfs/dbraw/zinc/28/48/65/938284865.db2.gz VYDFMKYOUCPXBZ-IAGOWNOFSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC(C)C ZINC001560934622 938284868 /nfs/dbraw/zinc/28/48/68/938284868.db2.gz VYDFMKYOUCPXBZ-IAGOWNOFSA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC(C)C ZINC001560934621 938285145 /nfs/dbraw/zinc/28/51/45/938285145.db2.gz VYDFMKYOUCPXBZ-DLBZAZTESA-N 2 2 282.472 3.044 20 0 CGADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC(C)C ZINC001560934621 938285146 /nfs/dbraw/zinc/28/51/46/938285146.db2.gz VYDFMKYOUCPXBZ-DLBZAZTESA-N 2 2 282.472 3.044 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC001560945824 938285828 /nfs/dbraw/zinc/28/58/28/938285828.db2.gz KSJHJJTUGZCMCO-DOTOQJQBSA-N 2 2 260.425 3.172 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC001560945824 938285829 /nfs/dbraw/zinc/28/58/29/938285829.db2.gz KSJHJJTUGZCMCO-DOTOQJQBSA-N 2 2 260.425 3.172 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC001560954326 938286142 /nfs/dbraw/zinc/28/61/42/938286142.db2.gz MYKQXODKDVRASX-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC001560954326 938286143 /nfs/dbraw/zinc/28/61/43/938286143.db2.gz MYKQXODKDVRASX-BZSNNMDCSA-N 2 2 272.436 3.397 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001560972601 938287403 /nfs/dbraw/zinc/28/74/03/938287403.db2.gz SCFXPUYGCISMQX-HOCLYGCPSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001560972601 938287404 /nfs/dbraw/zinc/28/74/04/938287404.db2.gz SCFXPUYGCISMQX-HOCLYGCPSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972601 938287405 /nfs/dbraw/zinc/28/74/05/938287405.db2.gz SCFXPUYGCISMQX-HOCLYGCPSA-N 2 2 290.451 3.412 20 0 CGADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001560972601 938287406 /nfs/dbraw/zinc/28/74/06/938287406.db2.gz SCFXPUYGCISMQX-HOCLYGCPSA-N 2 2 290.451 3.412 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H]1C ZINC001576680571 962486668 /nfs/dbraw/zinc/48/66/68/962486668.db2.gz PMCWOHMJTFMBHH-UNTBTUBKSA-N 2 2 258.409 3.025 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@@](C)(C[NH3+])CC(C)C ZINC001579219430 962615066 /nfs/dbraw/zinc/61/50/66/962615066.db2.gz CWGFNZRFATWIJF-OAHLLOKOSA-N 2 2 284.831 3.202 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)(F)F ZINC001579391580 962617504 /nfs/dbraw/zinc/61/75/04/962617504.db2.gz IVXHMLPKWASKKO-UWVGGRQHSA-N 2 2 292.370 3.339 20 0 CGADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001579476729 962627006 /nfs/dbraw/zinc/62/70/06/962627006.db2.gz BRZJNYWUSCXFDV-GFCCVEGCSA-N 2 2 274.339 3.055 20 0 CGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1Cl ZINC001580029506 962685128 /nfs/dbraw/zinc/68/51/28/962685128.db2.gz VLPDWLFDAQFSSH-DOMZBBRYSA-N 2 2 282.790 3.272 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337400474 214055478 /nfs/dbraw/zinc/05/54/78/214055478.db2.gz PPODPMJFHRSFEP-CQSZACIVSA-N 2 2 290.455 3.133 20 0 CGADLP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337406117 214060003 /nfs/dbraw/zinc/06/00/03/214060003.db2.gz JKLPARSYRJYBLT-XIRDDKMYSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337406117 214060004 /nfs/dbraw/zinc/06/00/04/214060004.db2.gz JKLPARSYRJYBLT-XIRDDKMYSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337406117 214060005 /nfs/dbraw/zinc/06/00/05/214060005.db2.gz JKLPARSYRJYBLT-XIRDDKMYSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337406117 214060006 /nfs/dbraw/zinc/06/00/06/214060006.db2.gz JKLPARSYRJYBLT-XIRDDKMYSA-N 2 2 275.440 3.195 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531878 187141922 /nfs/dbraw/zinc/14/19/22/187141922.db2.gz FAQSTOUXKAIFNR-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124531878 187141923 /nfs/dbraw/zinc/14/19/23/187141923.db2.gz FAQSTOUXKAIFNR-MNOVXSKESA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621378501 349513021 /nfs/dbraw/zinc/51/30/21/349513021.db2.gz XYSYNPYEISRWAW-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621378501 349513025 /nfs/dbraw/zinc/51/30/25/349513025.db2.gz XYSYNPYEISRWAW-FVQBIDKESA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000337538862 214145902 /nfs/dbraw/zinc/14/59/02/214145902.db2.gz HQAPKTGVZWWGFX-LBPRGKRZSA-N 2 2 298.377 3.075 20 0 CGADLP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000273065658 192034341 /nfs/dbraw/zinc/03/43/41/192034341.db2.gz NKLSCDFHYPKSOO-JKSUJKDBSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651650059 398262491 /nfs/dbraw/zinc/26/24/91/398262491.db2.gz AXPIHBKSWAKWHF-BEFAXECRSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651650059 398262495 /nfs/dbraw/zinc/26/24/95/398262495.db2.gz AXPIHBKSWAKWHF-BEFAXECRSA-N 2 2 295.430 3.455 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651669479 398265711 /nfs/dbraw/zinc/26/57/11/398265711.db2.gz WUMJMTXTWNOYBF-CYBMUJFWSA-N 2 2 282.790 3.150 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651676049 398267335 /nfs/dbraw/zinc/26/73/35/398267335.db2.gz MNWZFSBGPLFXOQ-ZWNOBZJWSA-N 2 2 293.773 3.341 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337993439 214349866 /nfs/dbraw/zinc/34/98/66/214349866.db2.gz HHHABEGMIUGJDE-IAGOWNOFSA-N 2 2 294.483 3.044 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1conc1C)C1CCCCC1 ZINC000651909937 398304455 /nfs/dbraw/zinc/30/44/55/398304455.db2.gz AWUGMWHAZZVZFJ-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1conc1C)C1CCCCC1 ZINC000651909937 398304459 /nfs/dbraw/zinc/30/44/59/398304459.db2.gz AWUGMWHAZZVZFJ-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP CC(C)C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000652133862 398325030 /nfs/dbraw/zinc/32/50/30/398325030.db2.gz AXCTXFMNECZVTE-INIZCTEOSA-N 2 2 275.371 3.399 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000440693931 529437377 /nfs/dbraw/zinc/43/73/77/529437377.db2.gz NQAXXEHPMQEKJT-OAGGEKHMSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000440693931 529437380 /nfs/dbraw/zinc/43/73/80/529437380.db2.gz NQAXXEHPMQEKJT-OAGGEKHMSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000440693931 529437381 /nfs/dbraw/zinc/43/73/81/529437381.db2.gz NQAXXEHPMQEKJT-OAGGEKHMSA-N 2 2 270.436 3.321 20 0 CGADLP CC[C@H](F)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000440693931 529437382 /nfs/dbraw/zinc/43/73/82/529437382.db2.gz NQAXXEHPMQEKJT-OAGGEKHMSA-N 2 2 270.436 3.321 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)c1ccccc1 ZINC000453056013 282180986 /nfs/dbraw/zinc/18/09/86/282180986.db2.gz KKOKDEFUGRLQTB-ROUUACIJSA-N 2 2 272.436 3.458 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423442902 529501024 /nfs/dbraw/zinc/50/10/24/529501024.db2.gz KGMGEASWPFXDBY-WOPDTQHZSA-N 2 2 260.381 3.382 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083564 346899967 /nfs/dbraw/zinc/89/99/67/346899967.db2.gz XWBKFDOBUKRMFW-IKGGRYGDSA-N 2 2 291.439 3.115 20 0 CGADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083564 346899970 /nfs/dbraw/zinc/89/99/70/346899970.db2.gz XWBKFDOBUKRMFW-IKGGRYGDSA-N 2 2 291.439 3.115 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082544 346900015 /nfs/dbraw/zinc/90/00/15/346900015.db2.gz IDZFHWVKFNVMGX-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591082544 346900016 /nfs/dbraw/zinc/90/00/16/346900016.db2.gz IDZFHWVKFNVMGX-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423463968 529568291 /nfs/dbraw/zinc/56/82/91/529568291.db2.gz LOXMHSWKCZTBQU-WCQYABFASA-N 2 2 275.421 3.198 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000423476943 529569382 /nfs/dbraw/zinc/56/93/82/529569382.db2.gz SXGMYHCJSOGWNM-IAGOWNOFSA-N 2 2 272.367 3.242 20 0 CGADLP CCn1cc[nH+]c1NCc1c[nH+]c(C)n1-c1ccccc1 ZINC000414298199 529588072 /nfs/dbraw/zinc/58/80/72/529588072.db2.gz JKZIBCVAHDCMSM-UHFFFAOYSA-N 2 2 281.363 3.009 20 0 CGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1C[C@@H]1C ZINC000414062049 529608824 /nfs/dbraw/zinc/60/88/24/529608824.db2.gz KVWYDXJXZHXDRK-SZMVWBNQSA-N 2 2 297.446 3.498 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235572 529611718 /nfs/dbraw/zinc/61/17/18/529611718.db2.gz GNIAERUBRGVGLJ-KGLIPLIRSA-N 2 2 260.406 3.489 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000125012051 282205670 /nfs/dbraw/zinc/20/56/70/282205670.db2.gz ZZYDLHFALRISOR-YJBOKZPZSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000125012051 282205672 /nfs/dbraw/zinc/20/56/72/282205672.db2.gz ZZYDLHFALRISOR-YJBOKZPZSA-N 2 2 299.418 3.044 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423514305 529612081 /nfs/dbraw/zinc/61/20/81/529612081.db2.gz WFHAMCXPQRIXHF-ROUUACIJSA-N 2 2 272.436 3.417 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]CC1=CCCOC1)c1ccccc1 ZINC000126191765 187222736 /nfs/dbraw/zinc/22/27/36/187222736.db2.gz NICPGHVUXXQTOW-SFHVURJKSA-N 2 2 288.435 3.006 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000423513069 529616969 /nfs/dbraw/zinc/61/69/69/529616969.db2.gz UZZSVVDNFJSFPO-KPZWWZAWSA-N 2 2 298.434 3.006 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC)c1 ZINC000423238299 529619220 /nfs/dbraw/zinc/61/92/20/529619220.db2.gz JASAMSDLMVUKNU-ROUUACIJSA-N 2 2 284.403 3.436 20 0 CGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Cl ZINC000623358467 349788344 /nfs/dbraw/zinc/78/83/44/349788344.db2.gz BJHVKTGBEHCKBY-CABCVRRESA-N 2 2 294.826 3.065 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1F ZINC000423363834 529661602 /nfs/dbraw/zinc/66/16/02/529661602.db2.gz NYXYCNMACIUVNN-WKPIXPDZSA-N 2 2 268.351 3.004 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000166479278 529671655 /nfs/dbraw/zinc/67/16/55/529671655.db2.gz HGQNCUWDWMWDSA-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(F)c1 ZINC000166479278 529671661 /nfs/dbraw/zinc/67/16/61/529671661.db2.gz HGQNCUWDWMWDSA-YESZJQIVSA-N 2 2 276.399 3.493 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000623398852 349798931 /nfs/dbraw/zinc/79/89/31/349798931.db2.gz QOVYIEOOWIBNFL-BPUTZDHNSA-N 2 2 273.424 3.298 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000367440021 529706970 /nfs/dbraw/zinc/70/69/70/529706970.db2.gz ZARGSNQRTKGKAU-GFCCVEGCSA-N 2 2 273.380 3.226 20 0 CGADLP Cc1cc[nH+]c(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000349865668 136378012 /nfs/dbraw/zinc/37/80/12/136378012.db2.gz BAPHNCYOUBXJQS-UHFFFAOYSA-N 2 2 290.370 3.138 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000351332663 219091920 /nfs/dbraw/zinc/09/19/20/219091920.db2.gz UFIXIQNSWUSSMF-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000351332663 219091921 /nfs/dbraw/zinc/09/19/21/219091921.db2.gz UFIXIQNSWUSSMF-UHFFFAOYSA-N 2 2 280.843 3.430 20 0 CGADLP Cc1ccc(C(C)(C)C[NH2+]Cc2cccc3[nH+]ccn32)nc1 ZINC000623648466 349855716 /nfs/dbraw/zinc/85/57/16/349855716.db2.gz LSLHEPNXDIJZIE-UHFFFAOYSA-N 2 2 294.402 3.105 20 0 CGADLP CSc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000128121457 187353016 /nfs/dbraw/zinc/35/30/16/187353016.db2.gz IKKBMTZVMZXGAN-UHFFFAOYSA-N 2 2 290.476 3.373 20 0 CGADLP C/C=C\C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000623739779 349874782 /nfs/dbraw/zinc/87/47/82/349874782.db2.gz FZYRAESRTDJYCD-IHWYPQMZSA-N 2 2 278.827 3.470 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@@H+]1C1CC1 ZINC000623787341 349883902 /nfs/dbraw/zinc/88/39/02/349883902.db2.gz IVVNZDCIEJFFDY-VXGBXAGGSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C[N@H+]1C1CC1 ZINC000623787341 349883904 /nfs/dbraw/zinc/88/39/04/349883904.db2.gz IVVNZDCIEJFFDY-VXGBXAGGSA-N 2 2 290.373 3.324 20 0 CGADLP c1cn(Cc2ccc(NCc3ccsc3)[nH+]c2)c[nH+]1 ZINC000351546944 219122449 /nfs/dbraw/zinc/12/24/49/219122449.db2.gz UHKJYYNYRMHNSO-UHFFFAOYSA-N 2 2 270.361 3.000 20 0 CGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623853712 349896921 /nfs/dbraw/zinc/89/69/21/349896921.db2.gz FHWHFSAWNMBLGH-CQSZACIVSA-N 2 2 293.480 3.232 20 0 CGADLP C[NH2+]CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000423226874 529979028 /nfs/dbraw/zinc/97/90/28/529979028.db2.gz SQFXDUIMPNGKRC-GOSISDBHSA-N 2 2 268.404 3.170 20 0 CGADLP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000351604194 219141593 /nfs/dbraw/zinc/14/15/93/219141593.db2.gz VVONQQXVPOVERR-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000351604194 219141595 /nfs/dbraw/zinc/14/15/95/219141595.db2.gz VVONQQXVPOVERR-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(Cl)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000351604194 219141597 /nfs/dbraw/zinc/14/15/97/219141597.db2.gz VVONQQXVPOVERR-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cc(Cl)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000351604194 219141600 /nfs/dbraw/zinc/14/16/00/219141600.db2.gz VVONQQXVPOVERR-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436293445 530057896 /nfs/dbraw/zinc/05/78/96/530057896.db2.gz VFDSDPKNKCGXDQ-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436293445 530057897 /nfs/dbraw/zinc/05/78/97/530057897.db2.gz VFDSDPKNKCGXDQ-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@@H+]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000623951063 349925658 /nfs/dbraw/zinc/92/56/58/349925658.db2.gz YDHYJKIKLABUNL-OAHLLOKOSA-N 2 2 284.407 3.157 20 0 CGADLP C[N@H+]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000623951063 349925661 /nfs/dbraw/zinc/92/56/61/349925661.db2.gz YDHYJKIKLABUNL-OAHLLOKOSA-N 2 2 284.407 3.157 20 0 CGADLP CC1CC[NH+](CCC[NH2+]Cc2cccc(F)c2F)CC1 ZINC000070160418 345388664 /nfs/dbraw/zinc/38/86/64/345388664.db2.gz YZQDUSOOABKDDS-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000084863543 345743090 /nfs/dbraw/zinc/74/30/90/345743090.db2.gz DTVBJDRGABWNGV-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000084863543 345743092 /nfs/dbraw/zinc/74/30/92/345743092.db2.gz DTVBJDRGABWNGV-LBPRGKRZSA-N 2 2 277.318 3.068 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119036 199355437 /nfs/dbraw/zinc/35/54/37/199355437.db2.gz WMKBLKXAJJTZPY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119036 199355439 /nfs/dbraw/zinc/35/54/39/199355439.db2.gz WMKBLKXAJJTZPY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119036 199355441 /nfs/dbraw/zinc/35/54/41/199355441.db2.gz WMKBLKXAJJTZPY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295119036 199355442 /nfs/dbraw/zinc/35/54/42/199355442.db2.gz WMKBLKXAJJTZPY-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CC(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000090092123 345782309 /nfs/dbraw/zinc/78/23/09/345782309.db2.gz AOTJILKKYZWJKB-CQSZACIVSA-N 2 2 290.455 3.477 20 0 CGADLP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000090092123 345782311 /nfs/dbraw/zinc/78/23/11/345782311.db2.gz AOTJILKKYZWJKB-CQSZACIVSA-N 2 2 290.455 3.477 20 0 CGADLP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090117199 345784208 /nfs/dbraw/zinc/78/42/08/345784208.db2.gz DMGKNNPXEXUBMX-JKSUJKDBSA-N 2 2 289.467 3.460 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(F)c1 ZINC000090847450 345796168 /nfs/dbraw/zinc/79/61/68/345796168.db2.gz WEWOPSWYFRSKGU-CYBMUJFWSA-N 2 2 288.366 3.431 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccnc1Cl ZINC000090847028 345796192 /nfs/dbraw/zinc/79/61/92/345796192.db2.gz SYPWPISXUPMLFG-GFCCVEGCSA-N 2 2 275.783 3.332 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092073130 345830566 /nfs/dbraw/zinc/83/05/66/345830566.db2.gz MKZMBDHOYHOGMH-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000092073130 345830569 /nfs/dbraw/zinc/83/05/69/345830569.db2.gz MKZMBDHOYHOGMH-MRXNPFEDSA-N 2 2 269.392 3.406 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093370011 345876577 /nfs/dbraw/zinc/87/65/77/345876577.db2.gz QTLACGLOSKRQSU-GFCCVEGCSA-N 2 2 293.480 3.157 20 0 CGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000235866101 346338084 /nfs/dbraw/zinc/33/80/84/346338084.db2.gz AXBAPLBRXCCRJM-UHFFFAOYSA-N 2 2 277.799 3.415 20 0 CGADLP Cc1sccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351730457 219189061 /nfs/dbraw/zinc/18/90/61/219189061.db2.gz OMXVVAXTWHEESZ-OAHLLOKOSA-N 2 2 274.389 3.105 20 0 CGADLP Cc1sccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351730457 219189063 /nfs/dbraw/zinc/18/90/63/219189063.db2.gz OMXVVAXTWHEESZ-OAHLLOKOSA-N 2 2 274.389 3.105 20 0 CGADLP C[C@@H](F)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351758315 219197686 /nfs/dbraw/zinc/19/76/86/219197686.db2.gz PBPNMZWQNNYNMW-CQSZACIVSA-N 2 2 267.392 3.123 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CSCCF)[N@H+](C)Cc1ccccc1 ZINC000595019637 347259735 /nfs/dbraw/zinc/25/97/35/347259735.db2.gz SGGMJXOBZNHOHZ-LSDHHAIUSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CSCCF)[N@@H+](C)Cc1ccccc1 ZINC000595019637 347259737 /nfs/dbraw/zinc/25/97/37/347259737.db2.gz SGGMJXOBZNHOHZ-LSDHHAIUSA-N 2 2 298.471 3.188 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638994 187381822 /nfs/dbraw/zinc/38/18/22/187381822.db2.gz UHVJHLPXJDHVSM-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000128638994 187381823 /nfs/dbraw/zinc/38/18/23/187381823.db2.gz UHVJHLPXJDHVSM-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439221 215172168 /nfs/dbraw/zinc/17/21/68/215172168.db2.gz MUEVZNJFGBXHEN-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439221 215172172 /nfs/dbraw/zinc/17/21/72/215172172.db2.gz MUEVZNJFGBXHEN-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439221 215172173 /nfs/dbraw/zinc/17/21/73/215172173.db2.gz MUEVZNJFGBXHEN-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000339439221 215172176 /nfs/dbraw/zinc/17/21/76/215172176.db2.gz MUEVZNJFGBXHEN-MRXNPFEDSA-N 2 2 296.817 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000358408107 233127006 /nfs/dbraw/zinc/12/70/06/233127006.db2.gz UZFWLVWDJFSQJG-MJVIPROJSA-N 2 2 297.240 3.050 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000358408107 233127009 /nfs/dbraw/zinc/12/70/09/233127009.db2.gz UZFWLVWDJFSQJG-MJVIPROJSA-N 2 2 297.240 3.050 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000619771029 349284692 /nfs/dbraw/zinc/28/46/92/349284692.db2.gz IOLLHUAYCUCGBE-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000619771029 349284693 /nfs/dbraw/zinc/28/46/93/349284693.db2.gz IOLLHUAYCUCGBE-HZPDHXFCSA-N 2 2 252.446 3.443 20 0 CGADLP c1c(CNc2cc3c(c[nH+]2)CCCC3)[nH+]c2ccccn12 ZINC000359469268 233321126 /nfs/dbraw/zinc/32/11/26/233321126.db2.gz GAYYNCRZZXENHL-UHFFFAOYSA-N 2 2 278.359 3.220 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000359655281 233351970 /nfs/dbraw/zinc/35/19/70/233351970.db2.gz XWYMZPQBNLLPME-UTUOFQBUSA-N 2 2 278.362 3.322 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000359655281 233351972 /nfs/dbraw/zinc/35/19/72/233351972.db2.gz XWYMZPQBNLLPME-UTUOFQBUSA-N 2 2 278.362 3.322 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628199835 350436945 /nfs/dbraw/zinc/43/69/45/350436945.db2.gz KTFZDLPQMCJDRX-UHFFFAOYSA-N 2 2 288.357 3.178 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC(F)(F)C1 ZINC000628328639 350503874 /nfs/dbraw/zinc/50/38/74/350503874.db2.gz RHKNDRKFBQZFOX-YUTCNCBUSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC(F)(F)C1 ZINC000628328639 350503878 /nfs/dbraw/zinc/50/38/78/350503878.db2.gz RHKNDRKFBQZFOX-YUTCNCBUSA-N 2 2 272.383 3.027 20 0 CGADLP C/C=C/C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495344 350561284 /nfs/dbraw/zinc/56/12/84/350561284.db2.gz OORSAJCMTDNHJJ-HSWBROFVSA-N 2 2 259.397 3.008 20 0 CGADLP C/C=C/C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000628495344 350561285 /nfs/dbraw/zinc/56/12/85/350561285.db2.gz OORSAJCMTDNHJJ-HSWBROFVSA-N 2 2 259.397 3.008 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C[NH2+]1 ZINC000629535388 350705198 /nfs/dbraw/zinc/70/51/98/350705198.db2.gz CEEZRMUGMAUGLG-XNJGSVPQSA-N 2 2 283.419 3.275 20 0 CGADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[C@H](C)[NH2+]C3)oc21 ZINC000629538517 350705781 /nfs/dbraw/zinc/70/57/81/350705781.db2.gz MNFOYMBFPWPVOV-OBJOEFQTSA-N 2 2 288.391 3.233 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cnc2ccsc2c1 ZINC000629539111 350706586 /nfs/dbraw/zinc/70/65/86/350706586.db2.gz MUWKOMPUKKSZPO-MDZLAQPJSA-N 2 2 275.421 3.087 20 0 CGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629540249 350706791 /nfs/dbraw/zinc/70/67/91/350706791.db2.gz VFEFZBXSWRMGIC-AVGNSLFASA-N 2 2 298.377 3.388 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CCC2 ZINC000629541374 350707914 /nfs/dbraw/zinc/70/79/14/350707914.db2.gz URQCGNUJSDDEJF-JLJPHGGASA-N 2 2 258.409 3.103 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000629543964 350708179 /nfs/dbraw/zinc/70/81/79/350708179.db2.gz HEGZPKJVAUUVAQ-GDIGMMSISA-N 2 2 298.405 3.450 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC000629543045 350708263 /nfs/dbraw/zinc/70/82/63/350708263.db2.gz ROXAGIOMERDTIR-LYRGGWFBSA-N 2 2 262.372 3.007 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000629555548 350713145 /nfs/dbraw/zinc/71/31/45/350713145.db2.gz WWBKISJFYHUZAG-FZMZJTMJSA-N 2 2 286.341 3.022 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000629401366 350689270 /nfs/dbraw/zinc/68/92/70/350689270.db2.gz AAIAJUOVRQDXGM-QWHCGFSZSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C[NH2+]1 ZINC000629397633 350689524 /nfs/dbraw/zinc/68/95/24/350689524.db2.gz YIOWTJZSPKSEJZ-OCCSQVGLSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)C[NH2+]1 ZINC000629419359 350690858 /nfs/dbraw/zinc/69/08/58/350690858.db2.gz YDOFIULTVJYVPI-WDEREUQCSA-N 2 2 293.461 3.102 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C[NH2+]1 ZINC000629419358 350690910 /nfs/dbraw/zinc/69/09/10/350690910.db2.gz YDOFIULTVJYVPI-QWRGUYRKSA-N 2 2 293.461 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2c1 ZINC000629515442 350700054 /nfs/dbraw/zinc/70/00/54/350700054.db2.gz TVGPFLQAMJTOBJ-KBXCAEBGSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])cc2c1 ZINC000629515442 350700056 /nfs/dbraw/zinc/70/00/56/350700056.db2.gz TVGPFLQAMJTOBJ-KBXCAEBGSA-N 2 2 283.419 3.102 20 0 CGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629524299 350701261 /nfs/dbraw/zinc/70/12/61/350701261.db2.gz QWHHHJZGGHDTOK-RYUDHWBXSA-N 2 2 264.756 3.056 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000629524398 350701575 /nfs/dbraw/zinc/70/15/75/350701575.db2.gz QJEFUIMAOKJRCL-FPMFFAJLSA-N 2 2 298.377 3.388 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000629671084 350733894 /nfs/dbraw/zinc/73/38/94/350733894.db2.gz XJKOZFQAVDTSCE-HIFRSBDPSA-N 2 2 264.800 3.059 20 0 CGADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629672424 350734827 /nfs/dbraw/zinc/73/48/27/350734827.db2.gz SALCBYFVFJFJOD-KBXCAEBGSA-N 2 2 296.414 3.202 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631031914 350931431 /nfs/dbraw/zinc/93/14/31/350931431.db2.gz NNHGXRBSXOSAHH-UHFFFAOYSA-N 2 2 266.772 3.128 20 0 CGADLP C[C@H](Nc1cc2ccccc2c[nH+]1)C1CC[NH+](C)CC1 ZINC000631116535 350959648 /nfs/dbraw/zinc/95/96/48/350959648.db2.gz CHYNNFOTMIQFAY-ZDUSSCGKSA-N 2 2 269.392 3.377 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000631115386 350959779 /nfs/dbraw/zinc/95/97/79/350959779.db2.gz RKNWUQGRTSFWNV-LAQIPUCWSA-N 2 2 295.430 3.426 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@](C)(Cc2ccccc2)C(C)C)n1C ZINC000631234045 351000908 /nfs/dbraw/zinc/00/09/08/351000908.db2.gz VRIKISVCVIWQKZ-GOSISDBHSA-N 2 2 285.435 3.476 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1 ZINC000631071498 350943183 /nfs/dbraw/zinc/94/31/83/350943183.db2.gz NRBHRNYTPGCLAX-CQSZACIVSA-N 2 2 299.418 3.006 20 0 CGADLP Fc1c(Cl)cccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890852 351152761 /nfs/dbraw/zinc/15/27/61/351152761.db2.gz SWVVUQVUUSCRGQ-SMDDNHRTSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890852 351152767 /nfs/dbraw/zinc/15/27/67/351152767.db2.gz SWVVUQVUUSCRGQ-SMDDNHRTSA-N 2 2 282.790 3.053 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733679 351580093 /nfs/dbraw/zinc/58/00/93/351580093.db2.gz KYNDMZKSFXKPEK-LBPRGKRZSA-N 2 2 295.496 3.308 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1F ZINC000635009427 351627172 /nfs/dbraw/zinc/62/71/72/351627172.db2.gz NGCPTRWJVCLYPR-BLLLJJGKSA-N 2 2 290.357 3.013 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC000123171718 187075649 /nfs/dbraw/zinc/07/56/49/187075649.db2.gz AJRBQIMUJGXPCD-FIEKWJHISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC000123171718 187075650 /nfs/dbraw/zinc/07/56/50/187075650.db2.gz AJRBQIMUJGXPCD-FIEKWJHISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171718 187075651 /nfs/dbraw/zinc/07/56/51/187075651.db2.gz AJRBQIMUJGXPCD-FIEKWJHISA-N 2 2 258.409 3.114 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171718 187075652 /nfs/dbraw/zinc/07/56/52/187075652.db2.gz AJRBQIMUJGXPCD-FIEKWJHISA-N 2 2 258.409 3.114 20 0 CGADLP Cn1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000122898762 187058062 /nfs/dbraw/zinc/05/80/62/187058062.db2.gz USAQKOBMYIRBII-OAHLLOKOSA-N 2 2 289.448 3.013 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1Cc2ccccc2C1 ZINC000123360465 187087333 /nfs/dbraw/zinc/08/73/33/187087333.db2.gz ABPYDUZQYOGILU-UHFFFAOYSA-N 2 2 291.398 3.102 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000123867451 187111971 /nfs/dbraw/zinc/11/19/71/187111971.db2.gz AWHVNMJYYHYUNM-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccccc3n2)CC[N@H+]1C ZINC000123867451 187111972 /nfs/dbraw/zinc/11/19/72/187111972.db2.gz AWHVNMJYYHYUNM-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867451 187111973 /nfs/dbraw/zinc/11/19/73/187111973.db2.gz AWHVNMJYYHYUNM-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccccc3n2)CC[NH+]1C ZINC000123867451 187111974 /nfs/dbraw/zinc/11/19/74/187111974.db2.gz AWHVNMJYYHYUNM-RHSMWYFYSA-N 2 2 283.419 3.149 20 0 CGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139867 198178127 /nfs/dbraw/zinc/17/81/27/198178127.db2.gz MGOQDQQUCKCZNC-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139867 198178128 /nfs/dbraw/zinc/17/81/28/198178128.db2.gz MGOQDQQUCKCZNC-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139867 198178130 /nfs/dbraw/zinc/17/81/30/198178130.db2.gz MGOQDQQUCKCZNC-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3Cl)C2)C1 ZINC000292139867 198178132 /nfs/dbraw/zinc/17/81/32/198178132.db2.gz MGOQDQQUCKCZNC-OAHLLOKOSA-N 2 2 282.790 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000368020052 234270686 /nfs/dbraw/zinc/27/06/86/234270686.db2.gz UMTQTARXQLHMBX-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000368020052 234270689 /nfs/dbraw/zinc/27/06/89/234270689.db2.gz UMTQTARXQLHMBX-UHFFFAOYSA-N 2 2 288.435 3.215 20 0 CGADLP c1cn(-c2ccc(C[NH+](C3CCC3)C3CCC3)cn2)c[nH+]1 ZINC000292380531 198266003 /nfs/dbraw/zinc/26/60/03/198266003.db2.gz JNHJPLCCMUBKBZ-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000154644442 188155168 /nfs/dbraw/zinc/15/51/68/188155168.db2.gz RWGBMYSUXWHCMA-RYUDHWBXSA-N 2 2 252.427 3.055 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000154644442 188155169 /nfs/dbraw/zinc/15/51/69/188155169.db2.gz RWGBMYSUXWHCMA-RYUDHWBXSA-N 2 2 252.427 3.055 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C2CC2)c1 ZINC000340200207 215484083 /nfs/dbraw/zinc/48/40/83/215484083.db2.gz HQQASGSCFGDLLY-SUMWQHHRSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C2CC2)c1 ZINC000340200207 215484088 /nfs/dbraw/zinc/48/40/88/215484088.db2.gz HQQASGSCFGDLLY-SUMWQHHRSA-N 2 2 258.409 3.309 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759383 191310163 /nfs/dbraw/zinc/31/01/63/191310163.db2.gz YEOMCPTZIZJAPF-GOEBONIOSA-N 2 2 299.418 3.401 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271759383 191310165 /nfs/dbraw/zinc/31/01/65/191310165.db2.gz YEOMCPTZIZJAPF-GOEBONIOSA-N 2 2 299.418 3.401 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)[C@H]1CCCO1 ZINC000061823395 137930513 /nfs/dbraw/zinc/93/05/13/137930513.db2.gz NPDMJZOXLYMBRD-IAGOWNOFSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000272045236 191483076 /nfs/dbraw/zinc/48/30/76/191483076.db2.gz QUPKWWIDVMLOIW-MRXNPFEDSA-N 2 2 286.423 3.353 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000414085749 235332872 /nfs/dbraw/zinc/33/28/72/235332872.db2.gz YTUJMVLPHHSGKR-FSDCSDTHSA-N 2 2 260.425 3.232 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000414118191 235340531 /nfs/dbraw/zinc/34/05/31/235340531.db2.gz UQQJHQDXNKFYAL-GLJUWKHASA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000414118191 235340532 /nfs/dbraw/zinc/34/05/32/235340532.db2.gz UQQJHQDXNKFYAL-GLJUWKHASA-N 2 2 288.435 3.137 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000417358977 235626590 /nfs/dbraw/zinc/62/65/90/235626590.db2.gz VDXGDPWSVPAHLC-JKSUJKDBSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1cccc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124369641 138374650 /nfs/dbraw/zinc/37/46/50/138374650.db2.gz JJMBWLIOMKYREF-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP Cc1cccc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124369641 138374651 /nfs/dbraw/zinc/37/46/51/138374651.db2.gz JJMBWLIOMKYREF-HNNXBMFYSA-N 2 2 257.381 3.275 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000129921397 138398747 /nfs/dbraw/zinc/39/87/47/138398747.db2.gz QXQWZPXZODDJMO-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1F ZINC000129921397 138398748 /nfs/dbraw/zinc/39/87/48/138398748.db2.gz QXQWZPXZODDJMO-GVXVVHGQSA-N 2 2 268.351 3.098 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC000423192672 235991862 /nfs/dbraw/zinc/99/18/62/235991862.db2.gz QBMDUVXSBJLXLI-ZBFHGGJFSA-N 2 2 262.397 3.161 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000423237589 236005292 /nfs/dbraw/zinc/00/52/92/236005292.db2.gz PZALLSXEQXIMBP-GWCFXTLKSA-N 2 2 278.783 3.489 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc2c(s1)CCCC2 ZINC000423236328 236005627 /nfs/dbraw/zinc/00/56/27/236005627.db2.gz ODGVRCAODYSTOK-AAEUAGOBSA-N 2 2 264.438 3.030 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCC12CCCC2)c1ccccc1 ZINC000423254493 236009589 /nfs/dbraw/zinc/00/95/89/236009589.db2.gz YFDGBFFDSPGRPZ-HOTGVXAUSA-N 2 2 258.409 3.389 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cc[nH+]c2)cc1 ZINC000423265758 236014616 /nfs/dbraw/zinc/01/46/16/236014616.db2.gz CYNORPXNCQKDHP-QILLFSRXSA-N 3 2 298.434 3.040 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@H]3C)oc2c1 ZINC000423358715 236048951 /nfs/dbraw/zinc/04/89/51/236048951.db2.gz JUVJVPWLLURRKE-IPYPFGDCSA-N 2 2 272.392 3.390 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423416400 236067345 /nfs/dbraw/zinc/06/73/45/236067345.db2.gz FVJTZMMSTJOOSX-MOPGFXCFSA-N 2 2 278.399 3.151 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)C1CCCC1 ZINC000423496672 236087532 /nfs/dbraw/zinc/08/75/32/236087532.db2.gz FGRHZOYOOCGYLD-OLZOCXBDSA-N 2 2 298.352 3.198 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423507899 236089446 /nfs/dbraw/zinc/08/94/46/236089446.db2.gz IRUXBAZGFRQHDL-CJNGLKHVSA-N 2 2 276.424 3.253 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)o1 ZINC000423532998 236093462 /nfs/dbraw/zinc/09/34/62/236093462.db2.gz WGOBUQQLARFVMP-UCRBLCQZSA-N 2 2 288.435 3.392 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427837935 236347820 /nfs/dbraw/zinc/34/78/20/236347820.db2.gz AQGSISPEXXGUBJ-UKRRQHHQSA-N 2 2 261.413 3.146 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427850718 236348906 /nfs/dbraw/zinc/34/89/06/236348906.db2.gz JCMXACKYIVRMNQ-NVXWUHKLSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCC2 ZINC000427872732 236351868 /nfs/dbraw/zinc/35/18/68/236351868.db2.gz DOQKGHHMRYGFJE-GUYCJALGSA-N 2 2 281.403 3.037 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000294842855 199208361 /nfs/dbraw/zinc/20/83/61/199208361.db2.gz OKAMXJFMFOZXKD-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000294842855 199208362 /nfs/dbraw/zinc/20/83/62/199208362.db2.gz OKAMXJFMFOZXKD-AWEZNQCLSA-N 2 2 273.355 3.237 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1 ZINC000479563590 535431968 /nfs/dbraw/zinc/43/19/68/535431968.db2.gz NKRFSWXULCXTAT-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c1 ZINC000479563590 535431971 /nfs/dbraw/zinc/43/19/71/535431971.db2.gz NKRFSWXULCXTAT-QGZVFWFLSA-N 2 2 260.425 3.213 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000297358894 200161286 /nfs/dbraw/zinc/16/12/86/200161286.db2.gz FPLYSCWFJRGAQX-IPMKNSEASA-N 2 2 295.430 3.231 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000297358894 200161288 /nfs/dbraw/zinc/16/12/88/200161288.db2.gz FPLYSCWFJRGAQX-IPMKNSEASA-N 2 2 295.430 3.231 20 0 CGADLP CC[C@@H](C)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297285837 200136165 /nfs/dbraw/zinc/13/61/65/200136165.db2.gz ALGPUKRMRZNYJH-OAHLLOKOSA-N 2 2 271.408 3.263 20 0 CGADLP CC[C@@H](C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297285837 200136166 /nfs/dbraw/zinc/13/61/66/200136166.db2.gz ALGPUKRMRZNYJH-OAHLLOKOSA-N 2 2 271.408 3.263 20 0 CGADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000341757831 216091237 /nfs/dbraw/zinc/09/12/37/216091237.db2.gz MEUFNSFNCRIQCQ-HNNXBMFYSA-N 2 2 294.826 3.239 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cn[nH]c2)[NH+]2CCCC2)cc1 ZINC000297883481 200298969 /nfs/dbraw/zinc/29/89/69/200298969.db2.gz VENNFLYBAMDZEJ-YJBOKZPZSA-N 2 2 298.434 3.206 20 0 CGADLP CC(C)[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341813801 216115305 /nfs/dbraw/zinc/11/53/05/216115305.db2.gz SDZAYGWXJKCQCC-AWEZNQCLSA-N 2 2 257.381 3.349 20 0 CGADLP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000341813801 216115308 /nfs/dbraw/zinc/11/53/08/216115308.db2.gz SDZAYGWXJKCQCC-AWEZNQCLSA-N 2 2 257.381 3.349 20 0 CGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342048879 216200735 /nfs/dbraw/zinc/20/07/35/216200735.db2.gz NJRBHMSDSTXUGT-MRXNPFEDSA-N 2 2 295.430 3.495 20 0 CGADLP CCCCc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342088011 216215559 /nfs/dbraw/zinc/21/55/59/216215559.db2.gz QKXNQJMWRLKFRJ-CFVMTHIKSA-N 2 2 293.480 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000342088011 216215561 /nfs/dbraw/zinc/21/55/61/216215561.db2.gz QKXNQJMWRLKFRJ-CFVMTHIKSA-N 2 2 293.480 3.045 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1F ZINC000179559212 189202102 /nfs/dbraw/zinc/20/21/02/189202102.db2.gz WHBMBYDFVXUEEM-SRVKXCTJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1F ZINC000179559212 189202103 /nfs/dbraw/zinc/20/21/03/189202103.db2.gz WHBMBYDFVXUEEM-SRVKXCTJSA-N 2 2 268.351 3.098 20 0 CGADLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1F ZINC000179837669 189222954 /nfs/dbraw/zinc/22/29/54/189222954.db2.gz YBLVLRWLMAJZIK-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000180405026 189253704 /nfs/dbraw/zinc/25/37/04/189253704.db2.gz FCSPBAAMFULCIU-ZDUSSCGKSA-N 2 2 264.413 3.365 20 0 CGADLP CC[NH+](CC)Cc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000301221286 200941877 /nfs/dbraw/zinc/94/18/77/200941877.db2.gz AHCPMDGDHMGOKO-UHFFFAOYSA-N 2 2 284.407 3.239 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000181006804 189286349 /nfs/dbraw/zinc/28/63/49/189286349.db2.gz GNPGGIVMNILDON-IAGOWNOFSA-N 2 2 283.419 3.445 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1F ZINC000182002740 189311701 /nfs/dbraw/zinc/31/17/01/189311701.db2.gz ZTBLQNOKDBVVAP-NEPJUHHUSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1F ZINC000182002740 189311702 /nfs/dbraw/zinc/31/17/02/189311702.db2.gz ZTBLQNOKDBVVAP-NEPJUHHUSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301508009 201036728 /nfs/dbraw/zinc/03/67/28/201036728.db2.gz DIGSEMQMCPHNKX-OLZOCXBDSA-N 2 2 276.428 3.059 20 0 CGADLP COc1ccccc1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000182541528 189327270 /nfs/dbraw/zinc/32/72/70/189327270.db2.gz FATZPLYLWXMKPZ-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956768 189340721 /nfs/dbraw/zinc/34/07/21/189340721.db2.gz GMJWUMCCOJDTIH-KEYYUXOJSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[NH+]2C ZINC000182956768 189340722 /nfs/dbraw/zinc/34/07/22/189340722.db2.gz GMJWUMCCOJDTIH-KEYYUXOJSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182956768 189340723 /nfs/dbraw/zinc/34/07/23/189340723.db2.gz GMJWUMCCOJDTIH-KEYYUXOJSA-N 2 2 287.451 3.210 20 0 CGADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182956768 189340724 /nfs/dbraw/zinc/34/07/24/189340724.db2.gz GMJWUMCCOJDTIH-KEYYUXOJSA-N 2 2 287.451 3.210 20 0 CGADLP c1csc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)n1 ZINC000182883627 189338230 /nfs/dbraw/zinc/33/82/30/189338230.db2.gz CONZKPQADJPHGZ-HNNXBMFYSA-N 2 2 298.415 3.109 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000301659109 201121366 /nfs/dbraw/zinc/12/13/66/201121366.db2.gz WOZGKZRBGSNMPG-UHFFFAOYSA-N 2 2 299.393 3.241 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000301659109 201121369 /nfs/dbraw/zinc/12/13/69/201121369.db2.gz WOZGKZRBGSNMPG-UHFFFAOYSA-N 2 2 299.393 3.241 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183178517 189348898 /nfs/dbraw/zinc/34/88/98/189348898.db2.gz DATXZIJHJFNDAB-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183178517 189348899 /nfs/dbraw/zinc/34/88/99/189348899.db2.gz DATXZIJHJFNDAB-SFHVURJKSA-N 2 2 283.419 3.289 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221358 189350977 /nfs/dbraw/zinc/35/09/77/189350977.db2.gz OIXZJRVKWZBNHW-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1F ZINC000183221358 189350978 /nfs/dbraw/zinc/35/09/78/189350978.db2.gz OIXZJRVKWZBNHW-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2cc(F)ccc21 ZINC000301714570 201154683 /nfs/dbraw/zinc/15/46/83/201154683.db2.gz WQORPUNOEQSNHK-UHFFFAOYSA-N 2 2 284.338 3.097 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4ccoc43)CC2)c[nH+]1 ZINC000449018351 239115522 /nfs/dbraw/zinc/11/55/22/239115522.db2.gz JYEJOKOVTGEXNT-UHFFFAOYSA-N 2 2 281.359 3.466 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000449135704 239198809 /nfs/dbraw/zinc/19/88/09/239198809.db2.gz RALJYGNHHNOGKG-ILXRZTDVSA-N 2 2 264.413 3.063 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C)c1F)CCC2 ZINC000449167392 239217024 /nfs/dbraw/zinc/21/70/24/239217024.db2.gz JWQPCXACGRGGGL-HNNXBMFYSA-N 2 2 287.382 3.306 20 0 CGADLP Cc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1F ZINC000449220290 239251002 /nfs/dbraw/zinc/25/10/02/239251002.db2.gz CLSVCVPJZWYZCY-UHFFFAOYSA-N 2 2 273.355 3.121 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000449377191 239363605 /nfs/dbraw/zinc/36/36/05/239363605.db2.gz RSQCMKNCBCZOOV-SEEUUAMPSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000449377191 239363609 /nfs/dbraw/zinc/36/36/09/239363609.db2.gz RSQCMKNCBCZOOV-SEEUUAMPSA-N 2 2 290.426 3.377 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119941712 370724967 /nfs/dbraw/zinc/72/49/67/370724967.db2.gz DQHCSNZZFQJCEQ-ZACQAIPSSA-N 2 2 290.451 3.145 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120167611 370744022 /nfs/dbraw/zinc/74/40/22/370744022.db2.gz LOAFOZLVXYPFMZ-YJBOKZPZSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120167611 370744028 /nfs/dbraw/zinc/74/40/28/370744028.db2.gz LOAFOZLVXYPFMZ-YJBOKZPZSA-N 3 2 298.434 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000120167611 370744031 /nfs/dbraw/zinc/74/40/31/370744031.db2.gz LOAFOZLVXYPFMZ-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000120167611 370744034 /nfs/dbraw/zinc/74/40/34/370744034.db2.gz LOAFOZLVXYPFMZ-YJBOKZPZSA-N 2 2 298.434 3.007 20 0 CGADLP c1cn2c(cccc2CNc2cccc3cc[nH+]cc32)[nH+]1 ZINC000537654263 376191196 /nfs/dbraw/zinc/19/11/96/376191196.db2.gz SMHQJXKNEXTXGJ-UHFFFAOYSA-N 2 2 274.327 3.495 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000450828462 240104026 /nfs/dbraw/zinc/10/40/26/240104026.db2.gz LNLVSJRLBDLFEU-LPHOPBHVSA-N 2 2 299.462 3.382 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000450828462 240104035 /nfs/dbraw/zinc/10/40/35/240104035.db2.gz LNLVSJRLBDLFEU-LPHOPBHVSA-N 2 2 299.462 3.382 20 0 CGADLP Cc1nc(N[C@@H](C)C[NH+]2CCCCCC2)c(C)c(C)[nH+]1 ZINC000302364402 201438525 /nfs/dbraw/zinc/43/85/25/201438525.db2.gz FYOGFTMUFPDTND-LBPRGKRZSA-N 2 2 276.428 3.078 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120920844 370813642 /nfs/dbraw/zinc/81/36/42/370813642.db2.gz VVXROXWNYCTVAI-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120920844 370813648 /nfs/dbraw/zinc/81/36/48/370813648.db2.gz VVXROXWNYCTVAI-GOSISDBHSA-N 2 2 294.483 3.001 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)no1 ZINC000459467530 242116707 /nfs/dbraw/zinc/11/67/07/242116707.db2.gz QCEPPJCZBCYFTI-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)no1 ZINC000459467530 242116710 /nfs/dbraw/zinc/11/67/10/242116710.db2.gz QCEPPJCZBCYFTI-UHFFFAOYSA-N 2 2 287.407 3.113 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cnc2ccsc2c1 ZINC000346799944 299373112 /nfs/dbraw/zinc/37/31/12/299373112.db2.gz PBDBGZCTRMHWNA-SGMGOOAPSA-N 2 2 289.448 3.430 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cnc2ccsc2c1 ZINC000346799944 299373114 /nfs/dbraw/zinc/37/31/14/299373114.db2.gz PBDBGZCTRMHWNA-SGMGOOAPSA-N 2 2 289.448 3.430 20 0 CGADLP CC(C)(C)C1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000459635664 242158773 /nfs/dbraw/zinc/15/87/73/242158773.db2.gz GIFNQZABWNLHNJ-UHFFFAOYSA-N 2 2 275.421 3.412 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459662086 242167577 /nfs/dbraw/zinc/16/75/77/242167577.db2.gz NBEGNROUWVJXKD-ZWKOTPCHSA-N 2 2 283.419 3.197 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498299 212178408 /nfs/dbraw/zinc/17/84/08/212178408.db2.gz IUNWBWOFKUQLIG-YPMHNXCESA-N 2 2 275.421 3.089 20 0 CGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000480017389 243134229 /nfs/dbraw/zinc/13/42/29/243134229.db2.gz PAMAZDVPUKOQFM-CYBMUJFWSA-N 2 2 296.842 3.485 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000003810075 368519361 /nfs/dbraw/zinc/51/93/61/368519361.db2.gz RZCYXMXTUQVUAN-OAHLLOKOSA-N 2 2 275.783 3.204 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)s1 ZINC000484520501 243314783 /nfs/dbraw/zinc/31/47/83/243314783.db2.gz TYRLFNJRCBCVBQ-TYNCELHUSA-N 2 2 278.465 3.444 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)s1 ZINC000484520501 243314789 /nfs/dbraw/zinc/31/47/89/243314789.db2.gz TYRLFNJRCBCVBQ-TYNCELHUSA-N 2 2 278.465 3.444 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000485243761 243327144 /nfs/dbraw/zinc/32/71/44/243327144.db2.gz LGKIBLQVFSGYQU-UHFFFAOYSA-N 2 2 280.843 3.345 20 0 CGADLP C(=C\c1ccncc1)\C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000486929922 243379541 /nfs/dbraw/zinc/37/95/41/243379541.db2.gz BDROUQBHUCVMLE-ARJAWSKDSA-N 2 2 290.370 3.070 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000343497684 216796792 /nfs/dbraw/zinc/79/67/92/216796792.db2.gz SHMXRHMVLISJNG-NWDGAFQWSA-N 2 2 288.357 3.176 20 0 CGADLP c1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020562798 368808690 /nfs/dbraw/zinc/80/86/90/368808690.db2.gz PRRNEFLIKOIXDU-QGZVFWFLSA-N 2 2 258.409 3.140 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000019913261 368781870 /nfs/dbraw/zinc/78/18/70/368781870.db2.gz GTYGARFMOGNLQC-OAHLLOKOSA-N 2 2 272.392 3.452 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000019913261 368781874 /nfs/dbraw/zinc/78/18/74/368781874.db2.gz GTYGARFMOGNLQC-OAHLLOKOSA-N 2 2 272.392 3.452 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000034937309 368980199 /nfs/dbraw/zinc/98/01/99/368980199.db2.gz FCRANIVNFKXIMF-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000034937309 368980204 /nfs/dbraw/zinc/98/02/04/368980204.db2.gz FCRANIVNFKXIMF-QGZVFWFLSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000034937308 368980583 /nfs/dbraw/zinc/98/05/83/368980583.db2.gz FCRANIVNFKXIMF-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000034937308 368980586 /nfs/dbraw/zinc/98/05/86/368980586.db2.gz FCRANIVNFKXIMF-KRWDZBQOSA-N 2 2 258.409 3.183 20 0 CGADLP Oc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000032160667 368927404 /nfs/dbraw/zinc/92/74/04/368927404.db2.gz VTTQLRYDLCWYOX-LJQANCHMSA-N 2 2 296.414 3.319 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000037141081 369068265 /nfs/dbraw/zinc/06/82/65/369068265.db2.gz XUSNCEIGVNFPRM-GFCCVEGCSA-N 2 2 262.397 3.174 20 0 CGADLP CC[C@H]([NH2+]CC[NH+](C)C)c1cccc(Br)c1 ZINC000037184091 369074349 /nfs/dbraw/zinc/07/43/49/369074349.db2.gz NTYDPCKJMXRFIQ-ZDUSSCGKSA-N 2 2 285.229 3.051 20 0 CGADLP C[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000037256262 369079931 /nfs/dbraw/zinc/07/99/31/369079931.db2.gz IKZVSIZSEHLBQH-AWEZNQCLSA-N 2 2 286.341 3.364 20 0 CGADLP CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000037635783 369093503 /nfs/dbraw/zinc/09/35/03/369093503.db2.gz VHNZAWYXESOYJN-UHFFFAOYSA-N 2 2 266.816 3.304 20 0 CGADLP CCC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040433311 369155005 /nfs/dbraw/zinc/15/50/05/369155005.db2.gz HMHGDHZIRIMACH-UHFFFAOYSA-N 2 2 252.446 3.421 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccccc1OC ZINC000040502767 369157869 /nfs/dbraw/zinc/15/78/69/369157869.db2.gz SSPDSVHCRBHIKB-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccccc1OC ZINC000040502767 369157876 /nfs/dbraw/zinc/15/78/76/369157876.db2.gz SSPDSVHCRBHIKB-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP c1cn(CC[NH2+]Cc2cc(-c3ccccc3)cs2)c[nH+]1 ZINC000041066154 369171184 /nfs/dbraw/zinc/17/11/84/369171184.db2.gz SPDDPDRQRFBFTR-UHFFFAOYSA-N 2 2 283.400 3.401 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(Br)c1 ZINC000423362598 299397454 /nfs/dbraw/zinc/39/74/54/299397454.db2.gz NCLZXSRDPQVNIU-UHIISALHSA-N 2 2 297.240 3.098 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000042314355 369211629 /nfs/dbraw/zinc/21/16/29/369211629.db2.gz KLIONVUPAAGDTL-UHFFFAOYSA-N 2 2 283.419 3.199 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000045116822 369276462 /nfs/dbraw/zinc/27/64/62/369276462.db2.gz VGNRPUWFURZDQJ-CVEARBPZSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000045116822 369276467 /nfs/dbraw/zinc/27/64/67/369276467.db2.gz VGNRPUWFURZDQJ-CVEARBPZSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000494632968 244307963 /nfs/dbraw/zinc/30/79/63/244307963.db2.gz NDQUXQAMICFODR-QIIPPGSGSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000494632968 244307967 /nfs/dbraw/zinc/30/79/67/244307967.db2.gz NDQUXQAMICFODR-QIIPPGSGSA-N 2 2 272.436 3.437 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000049943270 369423933 /nfs/dbraw/zinc/42/39/33/369423933.db2.gz DHTITICPJBXQPO-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000049943270 369423936 /nfs/dbraw/zinc/42/39/36/369423936.db2.gz DHTITICPJBXQPO-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000053201402 369480715 /nfs/dbraw/zinc/48/07/15/369480715.db2.gz JGYRLENIMJRRJS-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000053201402 369480718 /nfs/dbraw/zinc/48/07/18/369480718.db2.gz JGYRLENIMJRRJS-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc2n1 ZINC000276248536 193255679 /nfs/dbraw/zinc/25/56/79/193255679.db2.gz OTUOJYGQGPRQCG-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)ccc2n1 ZINC000276248536 193255680 /nfs/dbraw/zinc/25/56/80/193255680.db2.gz OTUOJYGQGPRQCG-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)ccc2n1 ZINC000276248536 193255681 /nfs/dbraw/zinc/25/56/81/193255681.db2.gz OTUOJYGQGPRQCG-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)ccc2n1 ZINC000276248536 193255682 /nfs/dbraw/zinc/25/56/82/193255682.db2.gz OTUOJYGQGPRQCG-APWZRJJASA-N 2 2 295.430 3.069 20 0 CGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680974 369605609 /nfs/dbraw/zinc/60/56/09/369605609.db2.gz WXCQOJPHPURCQI-ZDUSSCGKSA-N 2 2 289.448 3.240 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191876 369641739 /nfs/dbraw/zinc/64/17/39/369641739.db2.gz AHPDORFRGLYIEH-DOMZBBRYSA-N 2 2 264.438 3.110 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191876 369641743 /nfs/dbraw/zinc/64/17/43/369641743.db2.gz AHPDORFRGLYIEH-DOMZBBRYSA-N 2 2 264.438 3.110 20 0 CGADLP c1coc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319809 369646219 /nfs/dbraw/zinc/64/62/19/369646219.db2.gz FVOIPYNIIVSMIX-UHFFFAOYSA-N 2 2 262.397 3.024 20 0 CGADLP Cc1c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cnn1C(C)C ZINC000276588813 193392395 /nfs/dbraw/zinc/39/23/95/193392395.db2.gz WHXCVWJZCZBNSU-CQSZACIVSA-N 2 2 286.423 3.369 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171845 369786153 /nfs/dbraw/zinc/78/61/53/369786153.db2.gz SIIRFVFVHLCHSF-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000070171845 369786155 /nfs/dbraw/zinc/78/61/55/369786155.db2.gz SIIRFVFVHLCHSF-JQWIXIFHSA-N 2 2 270.779 3.038 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000336467504 213334933 /nfs/dbraw/zinc/33/49/33/213334933.db2.gz OHWLLTYYRAUENO-UHFFFAOYSA-N 2 2 289.810 3.072 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000076001155 369925206 /nfs/dbraw/zinc/92/52/06/369925206.db2.gz GAKMNIYVPJMNPJ-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000076001155 369925207 /nfs/dbraw/zinc/92/52/07/369925207.db2.gz GAKMNIYVPJMNPJ-CQSZACIVSA-N 2 2 282.378 3.129 20 0 CGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090219602 370058864 /nfs/dbraw/zinc/05/88/64/370058864.db2.gz NXAQQESDNHZGAL-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090219602 370058868 /nfs/dbraw/zinc/05/88/68/370058868.db2.gz NXAQQESDNHZGAL-RDJZCZTQSA-N 2 2 287.451 3.072 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720214 370065137 /nfs/dbraw/zinc/06/51/37/370065137.db2.gz XHQZWISSRZJHLY-GDBMZVCRSA-N 2 2 276.424 3.046 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720214 370065140 /nfs/dbraw/zinc/06/51/40/370065140.db2.gz XHQZWISSRZJHLY-GDBMZVCRSA-N 2 2 276.424 3.046 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1sccc1C ZINC000091892534 370077087 /nfs/dbraw/zinc/07/70/87/370077087.db2.gz XXFGEDVELVGKID-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1sccc1C ZINC000091892534 370077089 /nfs/dbraw/zinc/07/70/89/370077089.db2.gz XXFGEDVELVGKID-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sccc1C ZINC000091892534 370077093 /nfs/dbraw/zinc/07/70/93/370077093.db2.gz XXFGEDVELVGKID-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1sccc1C ZINC000091892534 370077097 /nfs/dbraw/zinc/07/70/97/370077097.db2.gz XXFGEDVELVGKID-KGLIPLIRSA-N 2 2 264.438 3.115 20 0 CGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000093597314 370144362 /nfs/dbraw/zinc/14/43/62/370144362.db2.gz OFSMXZVEVSZKAX-AWEZNQCLSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000093597314 370144366 /nfs/dbraw/zinc/14/43/66/370144366.db2.gz OFSMXZVEVSZKAX-AWEZNQCLSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597879 370145151 /nfs/dbraw/zinc/14/51/51/370145151.db2.gz FQIWNUHOFRJBIA-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP Fc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597879 370145155 /nfs/dbraw/zinc/14/51/55/370145155.db2.gz FQIWNUHOFRJBIA-ZDUSSCGKSA-N 2 2 296.817 3.397 20 0 CGADLP CC(C)c1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)cc[nH+]1 ZINC000110370158 370378470 /nfs/dbraw/zinc/37/84/70/370378470.db2.gz SZFCBOXALHSTOO-CQSZACIVSA-N 2 2 276.428 3.132 20 0 CGADLP CC(C)c1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)cc[nH+]1 ZINC000110370158 370378474 /nfs/dbraw/zinc/37/84/74/370378474.db2.gz SZFCBOXALHSTOO-CQSZACIVSA-N 2 2 276.428 3.132 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1C(F)(F)F ZINC000112342734 370422367 /nfs/dbraw/zinc/42/23/67/370422367.db2.gz HKCSWIBYVDGACU-SECBINFHSA-N 2 2 269.270 3.279 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000112547660 370433509 /nfs/dbraw/zinc/43/35/09/370433509.db2.gz JLIGHJZJQYFUNS-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000112547660 370433512 /nfs/dbraw/zinc/43/35/12/370433512.db2.gz JLIGHJZJQYFUNS-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000112547660 370433513 /nfs/dbraw/zinc/43/35/13/370433513.db2.gz JLIGHJZJQYFUNS-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP C[NH+](Cc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000112547660 370433514 /nfs/dbraw/zinc/43/35/14/370433514.db2.gz JLIGHJZJQYFUNS-ZDUSSCGKSA-N 2 2 266.816 3.114 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000130869484 371064796 /nfs/dbraw/zinc/06/47/96/371064796.db2.gz DWSCVPWXAZOFNQ-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131570512 371116391 /nfs/dbraw/zinc/11/63/91/371116391.db2.gz TXBWUKZHGUNQIZ-OLZOCXBDSA-N 2 2 275.421 3.274 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000232878511 189818552 /nfs/dbraw/zinc/81/85/52/189818552.db2.gz MBDZPVWWZIOHHC-LLVKDONJSA-N 2 2 272.845 3.269 20 0 CGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000132682343 371193559 /nfs/dbraw/zinc/19/35/59/371193559.db2.gz PPQNQVUWDUMVAW-UHFFFAOYSA-N 2 2 264.800 3.056 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(C)ccc1OC ZINC000537885575 376206768 /nfs/dbraw/zinc/20/67/68/376206768.db2.gz KQWGZOFWHZDONA-NVXWUHKLSA-N 2 2 290.451 3.386 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(C)ccc1OC ZINC000537885575 376206776 /nfs/dbraw/zinc/20/67/76/376206776.db2.gz KQWGZOFWHZDONA-NVXWUHKLSA-N 2 2 290.451 3.386 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000136094110 371460194 /nfs/dbraw/zinc/46/01/94/371460194.db2.gz PDNZSIZLICAJLE-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000136094110 371460195 /nfs/dbraw/zinc/46/01/95/371460195.db2.gz PDNZSIZLICAJLE-DOTOQJQBSA-N 2 2 269.392 3.275 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000145415303 371518063 /nfs/dbraw/zinc/51/80/63/371518063.db2.gz OCSOOLUZNBQVLV-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000145415303 371518070 /nfs/dbraw/zinc/51/80/70/371518070.db2.gz OCSOOLUZNBQVLV-CQSZACIVSA-N 2 2 291.826 3.490 20 0 CGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccncc1Cl ZINC000421853969 371678240 /nfs/dbraw/zinc/67/82/40/371678240.db2.gz KPNVVJBMNYBGAE-IYXRBSQSSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1cccnc1 ZINC000287293899 371636519 /nfs/dbraw/zinc/63/65/19/371636519.db2.gz KGLDSNFNSNPYBO-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1cccnc1 ZINC000287293899 371636526 /nfs/dbraw/zinc/63/65/26/371636526.db2.gz KGLDSNFNSNPYBO-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000421824704 371647051 /nfs/dbraw/zinc/64/70/51/371647051.db2.gz JXTPIOHJRMRKJM-FZMZJTMJSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000421824704 371647056 /nfs/dbraw/zinc/64/70/56/371647056.db2.gz JXTPIOHJRMRKJM-FZMZJTMJSA-N 2 2 296.817 3.236 20 0 CGADLP Fc1ccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1F ZINC000151939446 371654193 /nfs/dbraw/zinc/65/41/93/371654193.db2.gz JGUFLKKZSCBTRN-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152825199 371727204 /nfs/dbraw/zinc/72/72/04/371727204.db2.gz KFQITHJQHJFJJC-HNNXBMFYSA-N 2 2 283.419 3.421 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000422700012 371757456 /nfs/dbraw/zinc/75/74/56/371757456.db2.gz FUDMGEJKKAEIFD-DLBZAZTESA-N 3 2 296.418 3.008 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000422700013 371757956 /nfs/dbraw/zinc/75/79/56/371757956.db2.gz FUDMGEJKKAEIFD-IAGOWNOFSA-N 3 2 296.418 3.008 20 0 CGADLP CCC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000422718903 371766225 /nfs/dbraw/zinc/76/62/25/371766225.db2.gz XZZRWVCUCDDRSS-UAGQMJEPSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000422733765 371774327 /nfs/dbraw/zinc/77/43/27/371774327.db2.gz RPXYETVUQVOJCD-JTNHKYCSSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1c[nH+]ccc1N ZINC000422735145 371775856 /nfs/dbraw/zinc/77/58/56/371775856.db2.gz DHRJMWMSRSEJJE-JTQLQIEISA-N 2 2 290.436 3.099 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751730 371784151 /nfs/dbraw/zinc/78/41/51/371784151.db2.gz ABXXVUQIFNBNQS-VCTAVGKDSA-N 2 2 268.351 3.146 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000337339292 214016066 /nfs/dbraw/zinc/01/60/66/214016066.db2.gz OMDYVAMUSANLQP-HUUCEWRRSA-N 2 2 296.480 3.288 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422825633 371831137 /nfs/dbraw/zinc/83/11/37/371831137.db2.gz JYKXKUIVSFZWTH-WMLDXEAASA-N 2 2 276.424 3.094 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422796828 371816063 /nfs/dbraw/zinc/81/60/63/371816063.db2.gz KNZKXWIRIKZMDJ-KGLIPLIRSA-N 2 2 286.341 3.326 20 0 CGADLP COc1ccc2cc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422797150 371816898 /nfs/dbraw/zinc/81/68/98/371816898.db2.gz LEAUNHMKUVEAQI-UGSOOPFHSA-N 2 2 284.403 3.079 20 0 CGADLP CSc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422810360 371823088 /nfs/dbraw/zinc/82/30/88/371823088.db2.gz RQKZKEGHPFEJNJ-BXUZGUMPSA-N 2 2 282.428 3.168 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814813 371827095 /nfs/dbraw/zinc/82/70/95/371827095.db2.gz AGNLVZQJGMQULQ-IIAWOOMASA-N 2 2 294.414 3.103 20 0 CGADLP CC(C)c1nnc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422866782 371845418 /nfs/dbraw/zinc/84/54/18/371845418.db2.gz RCCZGUFWPAKDST-QWHCGFSZSA-N 2 2 296.484 3.062 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC)cc1 ZINC000154526739 371852995 /nfs/dbraw/zinc/85/29/95/371852995.db2.gz DHZUPVMDWNKKQW-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC)cc1 ZINC000154526739 371853006 /nfs/dbraw/zinc/85/30/06/371853006.db2.gz DHZUPVMDWNKKQW-NVXWUHKLSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)no1 ZINC000289922897 371853898 /nfs/dbraw/zinc/85/38/98/371853898.db2.gz VGXYGUPDDGPGLW-ZDUSSCGKSA-N 2 2 298.390 3.382 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCC2 ZINC000289967968 371864951 /nfs/dbraw/zinc/86/49/51/371864951.db2.gz BPMBKEVFZGSSTH-DLBZAZTESA-N 2 2 288.435 3.260 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289981066 371869230 /nfs/dbraw/zinc/86/92/30/371869230.db2.gz XWQKHQIIQNKVRW-KBPBESRZSA-N 2 2 280.375 3.171 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000422948748 371886557 /nfs/dbraw/zinc/88/65/57/371886557.db2.gz SUSOYUJGQRBJJQ-KSSFIOAISA-N 2 2 288.435 3.096 20 0 CGADLP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000289841230 371837093 /nfs/dbraw/zinc/83/70/93/371837093.db2.gz KFRQHASARBOGGT-ZBFHGGJFSA-N 2 2 296.418 3.349 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1c[nH+]ccc1N ZINC000423052705 371935553 /nfs/dbraw/zinc/93/55/53/371935553.db2.gz RBIYROPMQFMBIF-JTQLQIEISA-N 2 2 277.318 3.283 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000290210711 371935681 /nfs/dbraw/zinc/93/56/81/371935681.db2.gz QNNIDTXIYYWWGB-QAPCUYQASA-N 2 2 284.403 3.034 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000344102038 217050177 /nfs/dbraw/zinc/05/01/77/217050177.db2.gz DWOWNCRHFONIFD-FZKQIMNGSA-N 2 2 298.430 3.356 20 0 CGADLP Cc1oc2ccccc2c1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000344102038 217050181 /nfs/dbraw/zinc/05/01/81/217050181.db2.gz DWOWNCRHFONIFD-FZKQIMNGSA-N 2 2 298.430 3.356 20 0 CGADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000422984484 371902015 /nfs/dbraw/zinc/90/20/15/371902015.db2.gz XYUUETYSNWQEJA-SWLSCSKDSA-N 2 2 258.365 3.053 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423006923 371912883 /nfs/dbraw/zinc/91/28/83/371912883.db2.gz WUNDUSDPBNFLFK-UTJXIGIESA-N 2 2 258.409 3.213 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142556 371914798 /nfs/dbraw/zinc/91/47/98/371914798.db2.gz CFFFHQMSDRESLF-WQVCFCJDSA-N 2 2 296.842 3.100 20 0 CGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000290142556 371914803 /nfs/dbraw/zinc/91/48/03/371914803.db2.gz CFFFHQMSDRESLF-WQVCFCJDSA-N 2 2 296.842 3.100 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccn2)c1 ZINC000423027275 371922889 /nfs/dbraw/zinc/92/28/89/371922889.db2.gz RHEAPDXCSXIJCS-SJLPKXTDSA-N 2 2 299.393 3.042 20 0 CGADLP C[C@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423092511 371958732 /nfs/dbraw/zinc/95/87/32/371958732.db2.gz CBXGEONLSGFNBD-NZTRGOHKSA-N 2 2 296.817 3.397 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc12 ZINC000423172039 372002045 /nfs/dbraw/zinc/00/20/45/372002045.db2.gz QZEZGJCNQJVVHU-DOTOQJQBSA-N 2 2 298.430 3.005 20 0 CGADLP CCSc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000423135794 371984659 /nfs/dbraw/zinc/98/46/59/371984659.db2.gz ULCLDWWDNHBQKV-HOTGVXAUSA-N 2 2 278.465 3.419 20 0 CGADLP CC(C)c1cnc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000344136779 217069392 /nfs/dbraw/zinc/06/93/92/217069392.db2.gz UXOCLIGNMYMXIX-UHFFFAOYSA-N 2 2 293.480 3.373 20 0 CGADLP Cc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000155918053 371952472 /nfs/dbraw/zinc/95/24/72/371952472.db2.gz JMBLWXMDISSPBF-UHFFFAOYSA-N 2 2 295.430 3.191 20 0 CGADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423188289 372015654 /nfs/dbraw/zinc/01/56/54/372015654.db2.gz LNBRONCQSUGQIO-STQMWFEESA-N 2 2 288.391 3.152 20 0 CGADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCC[NH2+]C3)c(C)c2c1 ZINC000423188281 372015796 /nfs/dbraw/zinc/01/57/96/372015796.db2.gz LNBRONCQSUGQIO-CHWSQXEVSA-N 2 2 288.391 3.152 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423196048 372021639 /nfs/dbraw/zinc/02/16/39/372021639.db2.gz UOCHMEQJFFPRPP-SJORKVTESA-N 2 2 276.399 3.399 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2cc(Cl)ccc2o1 ZINC000423196212 372021989 /nfs/dbraw/zinc/02/19/89/372021989.db2.gz UVVSTSZHWVCZFD-ZWNOBZJWSA-N 2 2 278.783 3.489 20 0 CGADLP Cc1occc1C[NH+](C)CCC[N@@H+](C)Cc1ccoc1C ZINC000157631344 372029493 /nfs/dbraw/zinc/02/94/93/372029493.db2.gz GNYXMDQOGPCOTJ-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP Cc1occc1C[NH+](C)CCC[N@H+](C)Cc1ccoc1C ZINC000157631344 372029496 /nfs/dbraw/zinc/02/94/96/372029496.db2.gz GNYXMDQOGPCOTJ-UHFFFAOYSA-N 2 2 290.407 3.443 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423208265 372031003 /nfs/dbraw/zinc/03/10/03/372031003.db2.gz SOMHPCBAYVYDEF-CRAIPNDOSA-N 2 2 296.414 3.278 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCC(F)(F)F)CCC(F)(F)F ZINC000157635272 372031714 /nfs/dbraw/zinc/03/17/14/372031714.db2.gz PWTVJDQBJHGIDQ-UHFFFAOYSA-N 2 2 294.283 3.145 20 0 CGADLP C[NH+](CCC[N@H+](C)CCC(F)(F)F)CCC(F)(F)F ZINC000157635272 372031726 /nfs/dbraw/zinc/03/17/26/372031726.db2.gz PWTVJDQBJHGIDQ-UHFFFAOYSA-N 2 2 294.283 3.145 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2)s1 ZINC000423211187 372031773 /nfs/dbraw/zinc/03/17/73/372031773.db2.gz IFUQHNVCDJKPFM-JSGCOSHPSA-N 2 2 272.417 3.428 20 0 CGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(Cl)c1Cl ZINC000423284558 372047790 /nfs/dbraw/zinc/04/77/90/372047790.db2.gz WWSCKMCYUKKVKA-QPUJVOFHSA-N 2 2 273.207 3.381 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423300333 372049511 /nfs/dbraw/zinc/04/95/11/372049511.db2.gz RHAMSCUJQXDKMO-LSDHHAIUSA-N 2 2 278.444 3.138 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(Cl)c1 ZINC000290525572 372009163 /nfs/dbraw/zinc/00/91/63/372009163.db2.gz QHHRWMOZZQMXMC-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(Cl)c1 ZINC000290525572 372009166 /nfs/dbraw/zinc/00/91/66/372009166.db2.gz QHHRWMOZZQMXMC-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP Cc1cc[nH+]c(NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000291068747 372109260 /nfs/dbraw/zinc/10/92/60/372109260.db2.gz GTBABQLLCGDGCQ-UHFFFAOYSA-N 2 2 282.391 3.306 20 0 CGADLP CCc1[nH+]ccn1Cc1cccc(Cn2cc[nH+]c2CC)c1 ZINC000158481609 372069586 /nfs/dbraw/zinc/06/95/86/372069586.db2.gz GTTAMLDNEQPUKR-UHFFFAOYSA-N 2 2 294.402 3.301 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)o1 ZINC000423503743 372071184 /nfs/dbraw/zinc/07/11/84/372071184.db2.gz NDFOWHTWDSIEJL-FZMZJTMJSA-N 2 2 250.386 3.010 20 0 CGADLP Cc1cccc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)[nH+]1 ZINC000158576231 372073979 /nfs/dbraw/zinc/07/39/79/372073979.db2.gz HRJGCMWWPJQTMM-AWEZNQCLSA-N 2 2 287.432 3.335 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)s1 ZINC000423561656 372074214 /nfs/dbraw/zinc/07/42/14/372074214.db2.gz PVKKZKKPWOOKDJ-WCQYABFASA-N 2 2 252.427 3.158 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)CCC2 ZINC000344211533 217101455 /nfs/dbraw/zinc/10/14/55/217101455.db2.gz NKTOBQOFFCQXFM-IMJJTQAJSA-N 2 2 275.440 3.485 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326453 372132693 /nfs/dbraw/zinc/13/26/93/372132693.db2.gz QBLVMUDETDPWAC-ZANVPECISA-N 2 2 290.304 3.156 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159326453 372132698 /nfs/dbraw/zinc/13/26/98/372132698.db2.gz QBLVMUDETDPWAC-ZANVPECISA-N 2 2 290.304 3.156 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672230 541868117 /nfs/dbraw/zinc/86/81/17/541868117.db2.gz RKTPKVVYPYVYQR-YOEHRIQHSA-N 2 2 260.425 3.384 20 0 CGADLP CCCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672230 541868122 /nfs/dbraw/zinc/86/81/22/541868122.db2.gz RKTPKVVYPYVYQR-YOEHRIQHSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCCO1 ZINC000292991242 372271437 /nfs/dbraw/zinc/27/14/37/372271437.db2.gz CDJFVXZUVJWIPW-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCCO1 ZINC000292991242 372271442 /nfs/dbraw/zinc/27/14/42/372271442.db2.gz CDJFVXZUVJWIPW-SFHVURJKSA-N 2 2 299.418 3.119 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(Br)c2)CCC[N@@H+]1C ZINC000344318797 217148202 /nfs/dbraw/zinc/14/82/02/217148202.db2.gz BDGMHTAFKBFFDH-FZMZJTMJSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(Br)c2)CCC[N@H+]1C ZINC000344318797 217148203 /nfs/dbraw/zinc/14/82/03/217148203.db2.gz BDGMHTAFKBFFDH-FZMZJTMJSA-N 2 2 297.240 3.021 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293542491 372406770 /nfs/dbraw/zinc/40/67/70/372406770.db2.gz KJHZXIPNJWJETL-ZDUSSCGKSA-N 2 2 296.842 3.256 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293542491 372406774 /nfs/dbraw/zinc/40/67/74/372406774.db2.gz KJHZXIPNJWJETL-ZDUSSCGKSA-N 2 2 296.842 3.256 20 0 CGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccco1 ZINC000162895691 372433495 /nfs/dbraw/zinc/43/34/95/372433495.db2.gz JSNLDFNRDJMEQJ-ZDUSSCGKSA-N 2 2 259.353 3.218 20 0 CGADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000163668508 372486883 /nfs/dbraw/zinc/48/68/83/372486883.db2.gz COBIMHRFGFVFIK-UHFFFAOYSA-N 2 2 281.762 3.246 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000163857742 372495143 /nfs/dbraw/zinc/49/51/43/372495143.db2.gz HLZIVVZFRQRTIZ-CYBMUJFWSA-N 2 2 259.353 3.136 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742206 372801704 /nfs/dbraw/zinc/80/17/04/372801704.db2.gz TWXXJQLPYRTANE-ZPUIDXCVSA-N 2 2 294.389 3.141 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000435742206 372801711 /nfs/dbraw/zinc/80/17/11/372801711.db2.gz TWXXJQLPYRTANE-ZPUIDXCVSA-N 2 2 294.389 3.141 20 0 CGADLP Cc1cccc2[nH+]c(Cn3c[nH+]c4c3C[C@H](C)[C@@H](C)C4)cn21 ZINC000295713012 372885418 /nfs/dbraw/zinc/88/54/18/372885418.db2.gz GGRKLOYMJRNTBA-STQMWFEESA-N 2 2 294.402 3.258 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438205171 372911853 /nfs/dbraw/zinc/91/18/53/372911853.db2.gz XLMDHDBKZBASOP-QZTJIDSGSA-N 2 2 274.452 3.427 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438205171 372911856 /nfs/dbraw/zinc/91/18/56/372911856.db2.gz XLMDHDBKZBASOP-QZTJIDSGSA-N 2 2 274.452 3.427 20 0 CGADLP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc2c1CCC2 ZINC000172289746 372935360 /nfs/dbraw/zinc/93/53/60/372935360.db2.gz XVWWWAPDZHXWDD-UHFFFAOYSA-N 2 2 284.447 3.236 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCCC3(CCCC3)C2)[nH+]1 ZINC000438375853 372946048 /nfs/dbraw/zinc/94/60/48/372946048.db2.gz NQNUKRPAFGHHRD-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCCC3(CCCC3)C2)[nH+]1 ZINC000438375853 372946056 /nfs/dbraw/zinc/94/60/56/372946056.db2.gz NQNUKRPAFGHHRD-UHFFFAOYSA-N 2 2 269.392 3.491 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1Cl ZINC000295976053 372980900 /nfs/dbraw/zinc/98/09/00/372980900.db2.gz OIEPICFAEBFSNT-WODVXLOZSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccnc1Cl ZINC000295976053 372980907 /nfs/dbraw/zinc/98/09/07/372980907.db2.gz OIEPICFAEBFSNT-WODVXLOZSA-N 2 2 279.815 3.011 20 0 CGADLP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000296207441 373052904 /nfs/dbraw/zinc/05/29/04/373052904.db2.gz ZMYUUYBCWCCPEF-ZDUSSCGKSA-N 2 2 299.374 3.201 20 0 CGADLP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000344846616 217331445 /nfs/dbraw/zinc/33/14/45/217331445.db2.gz FAUAYODGMOLJDF-DLBZAZTESA-N 2 2 285.391 3.198 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000353618552 220195016 /nfs/dbraw/zinc/19/50/16/220195016.db2.gz GIKPPYXMBIMDPR-SJLPKXTDSA-N 2 2 290.451 3.147 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000447587169 373458945 /nfs/dbraw/zinc/45/89/45/373458945.db2.gz PDTTVBVZNIURSL-YJNKXOJESA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000447587169 373458956 /nfs/dbraw/zinc/45/89/56/373458956.db2.gz PDTTVBVZNIURSL-YJNKXOJESA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000447943804 373528490 /nfs/dbraw/zinc/52/84/90/373528490.db2.gz KXSFEFRYOUINQV-UHFFFAOYSA-N 2 2 293.480 3.157 20 0 CGADLP C([NH2+]C1CC2(CCC2)C1)C1([NH+]2CCSCC2)CCCC1 ZINC000448064492 373546390 /nfs/dbraw/zinc/54/63/90/373546390.db2.gz GFJCNYPAKONQTI-UHFFFAOYSA-N 2 2 294.508 3.270 20 0 CGADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1cccs1 ZINC000301082511 373653230 /nfs/dbraw/zinc/65/32/30/373653230.db2.gz OPDMVCOAXISXRA-ZDUSSCGKSA-N 2 2 286.404 3.339 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657758 220230670 /nfs/dbraw/zinc/23/06/70/220230670.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657758 220230672 /nfs/dbraw/zinc/23/06/72/220230672.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657758 220230673 /nfs/dbraw/zinc/23/06/73/220230673.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C[C@@H]1C ZINC000353657758 220230677 /nfs/dbraw/zinc/23/06/77/220230677.db2.gz HICDXNPFMJNYBP-FUHWJXTLSA-N 3 2 289.467 3.127 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177234303 373666913 /nfs/dbraw/zinc/66/69/13/373666913.db2.gz ZNTKAHIVYBKYMN-HNNXBMFYSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177234303 373666921 /nfs/dbraw/zinc/66/69/21/373666921.db2.gz ZNTKAHIVYBKYMN-HNNXBMFYSA-N 2 2 292.386 3.460 20 0 CGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCC12CCCCC2 ZINC000449224588 373672057 /nfs/dbraw/zinc/67/20/57/373672057.db2.gz MHZYQXVZGKQSND-SJORKVTESA-N 2 2 294.483 3.190 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177583179 373692511 /nfs/dbraw/zinc/69/25/11/373692511.db2.gz LCYPKNKJWSOHPY-UHFFFAOYSA-N 2 2 276.424 3.475 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccoc2)cn1 ZINC000178413379 373775878 /nfs/dbraw/zinc/77/58/78/373775878.db2.gz YHYBLZQFLJDZMB-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000178307593 373764265 /nfs/dbraw/zinc/76/42/65/373764265.db2.gz OAVSDLTXBGVKEQ-CYBMUJFWSA-N 2 2 298.377 3.343 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329906 373767466 /nfs/dbraw/zinc/76/74/66/373767466.db2.gz NJKFRARFHMTXMN-GJZGRUSLSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329906 373767473 /nfs/dbraw/zinc/76/74/73/373767473.db2.gz NJKFRARFHMTXMN-GJZGRUSLSA-N 2 2 296.480 3.146 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449526722 373823476 /nfs/dbraw/zinc/82/34/76/373823476.db2.gz FHJVWTJDGLXSGO-KRWDZBQOSA-N 2 2 299.443 3.200 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449526722 373823483 /nfs/dbraw/zinc/82/34/83/373823483.db2.gz FHJVWTJDGLXSGO-KRWDZBQOSA-N 2 2 299.443 3.200 20 0 CGADLP Cc1cc(NCC(C)(C)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000302534179 373891068 /nfs/dbraw/zinc/89/10/68/373891068.db2.gz GGQYHSSJESPMDP-UHFFFAOYSA-N 2 2 275.371 3.434 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000179178718 373845018 /nfs/dbraw/zinc/84/50/18/373845018.db2.gz QBQJSFFJPSBBTL-HLLBOEOZSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000179178718 373845021 /nfs/dbraw/zinc/84/50/21/373845021.db2.gz QBQJSFFJPSBBTL-HLLBOEOZSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000179178718 373845022 /nfs/dbraw/zinc/84/50/22/373845022.db2.gz QBQJSFFJPSBBTL-HLLBOEOZSA-N 2 2 260.425 3.044 20 0 CGADLP C1=C[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000179178718 373845024 /nfs/dbraw/zinc/84/50/24/373845024.db2.gz QBQJSFFJPSBBTL-HLLBOEOZSA-N 2 2 260.425 3.044 20 0 CGADLP C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)[N@H+](C)C1CC1 ZINC000302458606 373871565 /nfs/dbraw/zinc/87/15/65/373871565.db2.gz DOSFXLXUGGYDMH-LBPRGKRZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000302458606 373871571 /nfs/dbraw/zinc/87/15/71/373871571.db2.gz DOSFXLXUGGYDMH-LBPRGKRZSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305124733 374071693 /nfs/dbraw/zinc/07/16/93/374071693.db2.gz HZIIACKAFHSBGJ-MPGHIAIKSA-N 2 2 299.418 3.074 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000450465077 374148667 /nfs/dbraw/zinc/14/86/67/374148667.db2.gz DBKRTGIUXYTPJW-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)CCCC(=O)c2ccccc2)CC[N@H+]1C ZINC000450465077 374148676 /nfs/dbraw/zinc/14/86/76/374148676.db2.gz DBKRTGIUXYTPJW-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465077 374148682 /nfs/dbraw/zinc/14/86/82/374148682.db2.gz DBKRTGIUXYTPJW-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)c2ccccc2)CC[NH+]1C ZINC000450465077 374148687 /nfs/dbraw/zinc/14/86/87/374148687.db2.gz DBKRTGIUXYTPJW-RDJZCZTQSA-N 2 2 288.435 3.064 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000312557448 374284657 /nfs/dbraw/zinc/28/46/57/374284657.db2.gz NVMXZANLUPMABL-UHFFFAOYSA-N 2 2 272.845 3.366 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095277 374371116 /nfs/dbraw/zinc/37/11/16/374371116.db2.gz RUHQNZBTXSVKOY-ZIAGYGMSSA-N 2 2 295.496 3.429 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095277 374371125 /nfs/dbraw/zinc/37/11/25/374371125.db2.gz RUHQNZBTXSVKOY-ZIAGYGMSSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095277 374371132 /nfs/dbraw/zinc/37/11/32/374371132.db2.gz RUHQNZBTXSVKOY-ZIAGYGMSSA-N 2 2 295.496 3.429 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)s2)[C@H](C)C1 ZINC000183095277 374371140 /nfs/dbraw/zinc/37/11/40/374371140.db2.gz RUHQNZBTXSVKOY-ZIAGYGMSSA-N 2 2 295.496 3.429 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1F ZINC000453255898 374373891 /nfs/dbraw/zinc/37/38/91/374373891.db2.gz LKUFHZDPURHQIG-OGHNNQOOSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1F ZINC000453255898 374373899 /nfs/dbraw/zinc/37/38/99/374373899.db2.gz LKUFHZDPURHQIG-OGHNNQOOSA-N 2 2 276.399 3.267 20 0 CGADLP c1coc([C@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000183180083 374382982 /nfs/dbraw/zinc/38/29/82/374382982.db2.gz BBVPIKMVZOUBDC-OAHLLOKOSA-N 2 2 273.380 3.484 20 0 CGADLP c1coc([C@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000183180083 374382985 /nfs/dbraw/zinc/38/29/85/374382985.db2.gz BBVPIKMVZOUBDC-OAHLLOKOSA-N 2 2 273.380 3.484 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146774 206080128 /nfs/dbraw/zinc/08/01/28/206080128.db2.gz REHRQBYPPLMGKL-LSDHHAIUSA-N 2 2 289.423 3.081 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)[nH]1 ZINC000334146774 206080131 /nfs/dbraw/zinc/08/01/31/206080131.db2.gz REHRQBYPPLMGKL-LSDHHAIUSA-N 2 2 289.423 3.081 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+]CC1CCCCCC1 ZINC000089559980 541953788 /nfs/dbraw/zinc/95/37/88/541953788.db2.gz WXOZVRNQRXNORG-UHFFFAOYSA-N 2 2 252.446 3.422 20 0 CGADLP Clc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334169523 206134703 /nfs/dbraw/zinc/13/47/03/206134703.db2.gz AYGSNUTUKBYUFA-UHFFFAOYSA-N 2 2 275.783 3.443 20 0 CGADLP Cc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090015208 541956184 /nfs/dbraw/zinc/95/61/84/541956184.db2.gz FSUFXAHEPXSUBF-UHFFFAOYSA-N 2 2 295.430 3.191 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000090167756 541957396 /nfs/dbraw/zinc/95/73/96/541957396.db2.gz XLCXPJGWOQYLSE-GOSISDBHSA-N 2 2 295.430 3.224 20 0 CGADLP CC1(C)C[C@@H]([NH2+]Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000090167756 541957400 /nfs/dbraw/zinc/95/74/00/541957400.db2.gz XLCXPJGWOQYLSE-GOSISDBHSA-N 2 2 295.430 3.224 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000091335512 541966247 /nfs/dbraw/zinc/96/62/47/541966247.db2.gz IHFVHSNLXSWQLX-MSOLQXFVSA-N 2 2 272.436 3.458 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000091335512 541966250 /nfs/dbraw/zinc/96/62/50/541966250.db2.gz IHFVHSNLXSWQLX-MSOLQXFVSA-N 2 2 272.436 3.458 20 0 CGADLP COc1ccccc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185682737 374714065 /nfs/dbraw/zinc/71/40/65/374714065.db2.gz OQHFWPHRIVXLAI-BEFAXECRSA-N 2 2 298.430 3.476 20 0 CGADLP Clc1ccc(C2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000185792690 374736624 /nfs/dbraw/zinc/73/66/24/374736624.db2.gz MXQVUQUBVGQDPF-UHFFFAOYSA-N 2 2 289.810 3.416 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292272549 296223535 /nfs/dbraw/zinc/22/35/35/296223535.db2.gz ZUGIRSZOYKKZCG-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292272549 296223537 /nfs/dbraw/zinc/22/35/37/296223537.db2.gz ZUGIRSZOYKKZCG-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292272549 296223539 /nfs/dbraw/zinc/22/35/39/296223539.db2.gz ZUGIRSZOYKKZCG-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292272549 296223541 /nfs/dbraw/zinc/22/35/41/296223541.db2.gz ZUGIRSZOYKKZCG-BLLLJJGKSA-N 2 2 280.362 3.053 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000334648146 374940704 /nfs/dbraw/zinc/94/07/04/374940704.db2.gz SWUDXCNWXXWSHC-SNVBAGLBSA-N 2 2 293.773 3.158 20 0 CGADLP CC(C)(C)CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000187686013 375073522 /nfs/dbraw/zinc/07/35/22/375073522.db2.gz UPEBVMWOOJLUMO-UHFFFAOYSA-N 2 2 290.451 3.045 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccsc1 ZINC000187695313 375075696 /nfs/dbraw/zinc/07/56/96/375075696.db2.gz QTVVAEANNKMXGH-HZPDHXFCSA-N 2 2 296.480 3.290 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccsc1 ZINC000187695313 375075702 /nfs/dbraw/zinc/07/57/02/375075702.db2.gz QTVVAEANNKMXGH-HZPDHXFCSA-N 2 2 296.480 3.290 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000487543177 375249554 /nfs/dbraw/zinc/24/95/54/375249554.db2.gz SXXDPLNRNRBPIQ-VYDXJSESSA-N 2 2 292.492 3.329 20 0 CGADLP C[C@H]([NH2+]C/C=C\c1ccncc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487562451 375254828 /nfs/dbraw/zinc/25/48/28/375254828.db2.gz SDQVJQFBSIJUOD-UWAMSTNLSA-N 2 2 295.430 3.376 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)CS1 ZINC000488542421 375311171 /nfs/dbraw/zinc/31/11/71/375311171.db2.gz ZPSAXAQULZYADD-BZUAXINKSA-N 2 2 284.513 3.371 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335566549 375331049 /nfs/dbraw/zinc/33/10/49/375331049.db2.gz USSLIFTUIFQABF-ZWKOTPCHSA-N 3 2 293.499 3.033 20 0 CGADLP COCCC1(C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCCCC1 ZINC000189159254 375334031 /nfs/dbraw/zinc/33/40/31/375334031.db2.gz SZTDZUCZGQOJPF-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP COCCC1(C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000189159254 375334039 /nfs/dbraw/zinc/33/40/39/375334039.db2.gz SZTDZUCZGQOJPF-OAHLLOKOSA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)C[NH+](C)C ZINC000491596925 375336194 /nfs/dbraw/zinc/33/61/94/375336194.db2.gz PEPSTODJAUOGSK-SECBINFHSA-N 2 2 293.213 3.420 20 0 CGADLP C[C@H]1CCSCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000335754983 375402294 /nfs/dbraw/zinc/40/22/94/375402294.db2.gz NYVLGPNRCJXAAM-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP C[C@H]1CCSCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000335754983 375402298 /nfs/dbraw/zinc/40/22/98/375402298.db2.gz NYVLGPNRCJXAAM-LBPRGKRZSA-N 2 2 293.461 3.261 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000189783529 375446374 /nfs/dbraw/zinc/44/63/74/375446374.db2.gz RNKVAMKCSXPZML-SFHVURJKSA-N 2 2 297.446 3.437 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000189783529 375446379 /nfs/dbraw/zinc/44/63/79/375446379.db2.gz RNKVAMKCSXPZML-SFHVURJKSA-N 2 2 297.446 3.437 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495021997 375495426 /nfs/dbraw/zinc/49/54/26/375495426.db2.gz BBDDJTYVOFMTAV-UMVBOHGHSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000495021997 375495431 /nfs/dbraw/zinc/49/54/31/375495431.db2.gz BBDDJTYVOFMTAV-UMVBOHGHSA-N 2 2 286.410 3.274 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC3(CCCC3)CC1)CC2 ZINC000336007410 375613417 /nfs/dbraw/zinc/61/34/17/375613417.db2.gz VBPFINKWINKENC-OAHLLOKOSA-N 2 2 273.424 3.291 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[N@@H+]1C1CC1 ZINC000121530362 542019309 /nfs/dbraw/zinc/01/93/09/542019309.db2.gz GJWHXRRGNAXPBJ-YOIRWDDOSA-N 2 2 292.373 3.167 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C[N@H+]1C1CC1 ZINC000121530362 542019311 /nfs/dbraw/zinc/01/93/11/542019311.db2.gz GJWHXRRGNAXPBJ-YOIRWDDOSA-N 2 2 292.373 3.167 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1C ZINC000192050072 375693727 /nfs/dbraw/zinc/69/37/27/375693727.db2.gz POPOILQOKPSVKR-AWEZNQCLSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1C ZINC000192050072 375693731 /nfs/dbraw/zinc/69/37/31/375693731.db2.gz POPOILQOKPSVKR-AWEZNQCLSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000336102746 375686391 /nfs/dbraw/zinc/68/63/91/375686391.db2.gz MZRXUDJIEWNZMF-ZBFHGGJFSA-N 2 2 269.392 3.166 20 0 CGADLP CCC1(C)CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336101140 375686791 /nfs/dbraw/zinc/68/67/91/375686791.db2.gz PQNHEIYIPWPWSI-NPCAHTBFSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000122064806 542023059 /nfs/dbraw/zinc/02/30/59/542023059.db2.gz GMQOJWVQKYPSCW-YOEHRIQHSA-N 2 2 256.393 3.130 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC=CC2)C1 ZINC000122064806 542023060 /nfs/dbraw/zinc/02/30/60/542023060.db2.gz GMQOJWVQKYPSCW-YOEHRIQHSA-N 2 2 256.393 3.130 20 0 CGADLP c1cn(-c2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)c[nH+]1 ZINC000507505155 375709091 /nfs/dbraw/zinc/70/90/91/375709091.db2.gz ACMXZLFZCASICJ-HNNXBMFYSA-N 2 2 267.376 3.318 20 0 CGADLP Cc1c[nH+]ccc1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000192598181 375770199 /nfs/dbraw/zinc/77/01/99/375770199.db2.gz YQAVPOGMNTZABP-OAHLLOKOSA-N 2 2 291.345 3.383 20 0 CGADLP c1cn(CCC[NH2+][C@H](c2ccccc2)c2ccccn2)c[nH+]1 ZINC000193111892 375826756 /nfs/dbraw/zinc/82/67/56/375826756.db2.gz QMQXXTWQXCETGB-GOSISDBHSA-N 2 2 292.386 3.047 20 0 CGADLP Clc1cccc(Cl)c1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000520582141 375865205 /nfs/dbraw/zinc/86/52/05/375865205.db2.gz PQNRZTVBQKEKSC-TXEJJXNPSA-N 2 2 299.245 3.077 20 0 CGADLP Clc1cccc(Cl)c1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000520582141 375865213 /nfs/dbraw/zinc/86/52/13/375865213.db2.gz PQNRZTVBQKEKSC-TXEJJXNPSA-N 2 2 299.245 3.077 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336706628 375911455 /nfs/dbraw/zinc/91/14/55/375911455.db2.gz IWRCCJJAICOHGI-ZMSDIMECSA-N 2 2 260.425 3.284 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000336706628 375911462 /nfs/dbraw/zinc/91/14/62/375911462.db2.gz IWRCCJJAICOHGI-ZMSDIMECSA-N 2 2 260.425 3.284 20 0 CGADLP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(Br)c1 ZINC000336708246 375914418 /nfs/dbraw/zinc/91/44/18/375914418.db2.gz MCTFOEARPSYMQP-LBPRGKRZSA-N 2 2 299.256 3.045 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194482081 376009162 /nfs/dbraw/zinc/00/91/62/376009162.db2.gz XNKJFVUZGYZVEN-YOEHRIQHSA-N 2 2 283.375 3.216 20 0 CGADLP c1[nH]cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH+]1 ZINC000536668358 376114450 /nfs/dbraw/zinc/11/44/50/376114450.db2.gz ARXKTTBRFNETFV-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000337259461 376171356 /nfs/dbraw/zinc/17/13/56/376171356.db2.gz PCIBAMRMMVQMBR-RDJZCZTQSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000337267903 376179492 /nfs/dbraw/zinc/17/94/92/376179492.db2.gz WXOJHAZGIGFZAG-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000337267903 376179500 /nfs/dbraw/zinc/17/95/00/376179500.db2.gz WXOJHAZGIGFZAG-FRRDWIJNSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221686655 376219161 /nfs/dbraw/zinc/21/91/61/376219161.db2.gz BOQWNUIUWHKKME-BFYDXBDKSA-N 2 2 272.436 3.223 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221686655 376219167 /nfs/dbraw/zinc/21/91/67/376219167.db2.gz BOQWNUIUWHKKME-BFYDXBDKSA-N 2 2 272.436 3.223 20 0 CGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449149 376222157 /nfs/dbraw/zinc/22/21/57/376222157.db2.gz RYWGTYXSEALCBV-ZIAGYGMSSA-N 2 2 279.403 3.147 20 0 CGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337449149 376222162 /nfs/dbraw/zinc/22/21/62/376222162.db2.gz RYWGTYXSEALCBV-ZIAGYGMSSA-N 2 2 279.403 3.147 20 0 CGADLP C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000538552463 376248485 /nfs/dbraw/zinc/24/84/85/376248485.db2.gz QJRDVRYZNPDFKX-ZDUSSCGKSA-N 2 2 267.376 3.466 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@H](C)C1 ZINC000538955083 376281701 /nfs/dbraw/zinc/28/17/01/376281701.db2.gz YMLKDWYXGMXDHK-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@H](C)C1 ZINC000538955083 376281704 /nfs/dbraw/zinc/28/17/04/376281704.db2.gz YMLKDWYXGMXDHK-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@H](C)C1 ZINC000538955083 376281706 /nfs/dbraw/zinc/28/17/06/376281706.db2.gz YMLKDWYXGMXDHK-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@H](C)C1 ZINC000538955083 376281710 /nfs/dbraw/zinc/28/17/10/376281710.db2.gz YMLKDWYXGMXDHK-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CCc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)s1 ZINC000538716313 376258753 /nfs/dbraw/zinc/25/87/53/376258753.db2.gz ALWOZCGRIYUPLO-UHFFFAOYSA-N 2 2 266.454 3.273 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000224278162 376273371 /nfs/dbraw/zinc/27/33/71/376273371.db2.gz MNSIHPJNHGNGPY-WBVHZDCISA-N 2 2 292.492 3.412 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780516 376396025 /nfs/dbraw/zinc/39/60/25/376396025.db2.gz GBKFZGXULUGMMH-JSGCOSHPSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780516 376396027 /nfs/dbraw/zinc/39/60/27/376396027.db2.gz GBKFZGXULUGMMH-JSGCOSHPSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000541535566 376455519 /nfs/dbraw/zinc/45/55/19/376455519.db2.gz FQLIWQGXDGUOMS-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000541535566 376455529 /nfs/dbraw/zinc/45/55/29/376455529.db2.gz FQLIWQGXDGUOMS-ZACQAIPSSA-N 2 2 264.457 3.373 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000338786860 376535642 /nfs/dbraw/zinc/53/56/42/376535642.db2.gz NZJZQDNOOXJFTP-ZTFGCOKTSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000338786860 376535648 /nfs/dbraw/zinc/53/56/48/376535648.db2.gz NZJZQDNOOXJFTP-ZTFGCOKTSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000236697167 376682770 /nfs/dbraw/zinc/68/27/70/376682770.db2.gz JXXWEQNMFZBPGM-KXBFYZLASA-N 2 2 286.463 3.457 20 0 CGADLP CC(C)[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000236697167 376682772 /nfs/dbraw/zinc/68/27/72/376682772.db2.gz JXXWEQNMFZBPGM-KXBFYZLASA-N 2 2 286.463 3.457 20 0 CGADLP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000151281169 542101642 /nfs/dbraw/zinc/10/16/42/542101642.db2.gz KVDVBJCIRJYKPW-DNVCBOLYSA-N 2 2 295.430 3.143 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151845654 542104108 /nfs/dbraw/zinc/10/41/08/542104108.db2.gz WNCCRDPHQOAQPB-ZIAGYGMSSA-N 2 2 266.454 3.143 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245481767 376829402 /nfs/dbraw/zinc/82/94/02/376829402.db2.gz YPWLAUVVHGTCDO-KBPBESRZSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245481767 376829408 /nfs/dbraw/zinc/82/94/08/376829408.db2.gz YPWLAUVVHGTCDO-KBPBESRZSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245481767 376829420 /nfs/dbraw/zinc/82/94/20/376829420.db2.gz YPWLAUVVHGTCDO-KBPBESRZSA-N 2 2 293.455 3.307 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245481767 376829433 /nfs/dbraw/zinc/82/94/33/376829433.db2.gz YPWLAUVVHGTCDO-KBPBESRZSA-N 2 2 293.455 3.307 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000245510701 376836734 /nfs/dbraw/zinc/83/67/34/376836734.db2.gz WSPNXJGUGVTBRL-IIAWOOMASA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000245510701 376836742 /nfs/dbraw/zinc/83/67/42/376836742.db2.gz WSPNXJGUGVTBRL-IIAWOOMASA-N 2 2 258.409 3.227 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@H+](C)Cc1ccccc1 ZINC000340477187 377090949 /nfs/dbraw/zinc/09/09/49/377090949.db2.gz XBZCCXLCKMDXFN-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000340477187 377090952 /nfs/dbraw/zinc/09/09/52/377090952.db2.gz XBZCCXLCKMDXFN-SOLBZPMBSA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000340534263 377129682 /nfs/dbraw/zinc/12/96/82/377129682.db2.gz KAUVUNJVCSZUMK-GJZGRUSLSA-N 2 2 279.428 3.002 20 0 CGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)no1 ZINC000340534263 377129688 /nfs/dbraw/zinc/12/96/88/377129688.db2.gz KAUVUNJVCSZUMK-GJZGRUSLSA-N 2 2 279.428 3.002 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000246978734 377132018 /nfs/dbraw/zinc/13/20/18/377132018.db2.gz JXLZADUKWMZVDL-GLJUWKHASA-N 2 2 270.420 3.451 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000246978734 377132024 /nfs/dbraw/zinc/13/20/24/377132024.db2.gz JXLZADUKWMZVDL-GLJUWKHASA-N 2 2 270.420 3.451 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000247111731 377161237 /nfs/dbraw/zinc/16/12/37/377161237.db2.gz TUKYRGGJRQXIQW-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247111731 377161251 /nfs/dbraw/zinc/16/12/51/377161251.db2.gz TUKYRGGJRQXIQW-ILXRZTDVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594134 377162062 /nfs/dbraw/zinc/16/20/62/377162062.db2.gz LVKKSZCSEZGDME-GOEBONIOSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000340594134 377162069 /nfs/dbraw/zinc/16/20/69/377162069.db2.gz LVKKSZCSEZGDME-GOEBONIOSA-N 2 2 276.424 3.321 20 0 CGADLP C[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000247674874 377232386 /nfs/dbraw/zinc/23/23/86/377232386.db2.gz RELXMEZMOKPTOA-DZGCQCFKSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000247674874 377232396 /nfs/dbraw/zinc/23/23/96/377232396.db2.gz RELXMEZMOKPTOA-DZGCQCFKSA-N 2 2 296.374 3.107 20 0 CGADLP CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247977839 377251400 /nfs/dbraw/zinc/25/14/00/377251400.db2.gz LOARYFOUTLFACS-WBVHZDCISA-N 2 2 275.440 3.072 20 0 CGADLP CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247977839 377251407 /nfs/dbraw/zinc/25/14/07/377251407.db2.gz LOARYFOUTLFACS-WBVHZDCISA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000561906552 377252605 /nfs/dbraw/zinc/25/26/05/377252605.db2.gz LSDPERIGPLFGPP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000561906552 377252611 /nfs/dbraw/zinc/25/26/11/377252611.db2.gz LSDPERIGPLFGPP-HRCADAONSA-N 2 2 252.446 3.227 20 0 CGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccco2)[C@@H](C)C1 ZINC000248053357 377265012 /nfs/dbraw/zinc/26/50/12/377265012.db2.gz WVXVXZNAYDPYFB-XHSDSOJGSA-N 2 2 294.439 3.067 20 0 CGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccco2)[C@@H](C)C1 ZINC000248053357 377265024 /nfs/dbraw/zinc/26/50/24/377265024.db2.gz WVXVXZNAYDPYFB-XHSDSOJGSA-N 2 2 294.439 3.067 20 0 CGADLP CC(C)c1nc(N(C)CCC[NH+](C)C)cc(C(C)(C)C)[nH+]1 ZINC000562420104 377307969 /nfs/dbraw/zinc/30/79/69/377307969.db2.gz XRJLCRPEAYUUHR-UHFFFAOYSA-N 2 2 292.471 3.285 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000563357969 377448458 /nfs/dbraw/zinc/44/84/58/377448458.db2.gz VJDXOWCIQMUHNH-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000563357969 377448461 /nfs/dbraw/zinc/44/84/61/377448461.db2.gz VJDXOWCIQMUHNH-INIZCTEOSA-N 2 2 261.413 3.007 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249189106 377475982 /nfs/dbraw/zinc/47/59/82/377475982.db2.gz MPSNGOJRZJDRNO-IRXDYDNUSA-N 2 2 260.425 3.038 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249189106 377475991 /nfs/dbraw/zinc/47/59/91/377475991.db2.gz MPSNGOJRZJDRNO-IRXDYDNUSA-N 2 2 260.425 3.038 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249770009 377531015 /nfs/dbraw/zinc/53/10/15/377531015.db2.gz BNZOVGGTIUHGFV-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249770009 377531020 /nfs/dbraw/zinc/53/10/20/377531020.db2.gz BNZOVGGTIUHGFV-KGLIPLIRSA-N 2 2 282.790 3.196 20 0 CGADLP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459504805 249153397 /nfs/dbraw/zinc/15/33/97/249153397.db2.gz GYIOCUJMNGMADF-QGZVFWFLSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459504805 249153400 /nfs/dbraw/zinc/15/34/00/249153400.db2.gz GYIOCUJMNGMADF-QGZVFWFLSA-N 2 2 287.382 3.247 20 0 CGADLP COC1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000265245158 190169025 /nfs/dbraw/zinc/16/90/25/190169025.db2.gz VADXCKBVDZQHQC-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP COC1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000265245158 190169026 /nfs/dbraw/zinc/16/90/26/190169026.db2.gz VADXCKBVDZQHQC-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP Clc1cccc(CC[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000514779238 249189159 /nfs/dbraw/zinc/18/91/59/249189159.db2.gz LXJDGOWMADAQGR-UHFFFAOYSA-N 2 2 289.810 3.205 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251232715 377579006 /nfs/dbraw/zinc/57/90/06/377579006.db2.gz BPMZERMWBUNUDH-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000251232715 377579012 /nfs/dbraw/zinc/57/90/12/377579012.db2.gz BPMZERMWBUNUDH-BXUZGUMPSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@@H](C1CC1)[NH+](C)C ZINC000516177268 249227419 /nfs/dbraw/zinc/22/74/19/249227419.db2.gz ATXNBEYMUWKYRT-INIZCTEOSA-N 2 2 269.392 3.295 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000519112339 249292463 /nfs/dbraw/zinc/29/24/63/249292463.db2.gz AEWMNSDYJCXUBC-UHFFFAOYSA-N 2 2 281.469 3.232 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(C2CCCCC2)s1 ZINC000519112339 249292467 /nfs/dbraw/zinc/29/24/67/249292467.db2.gz AEWMNSDYJCXUBC-UHFFFAOYSA-N 2 2 281.469 3.232 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180098273 542206655 /nfs/dbraw/zinc/20/66/55/542206655.db2.gz MMIAHDCQLFVJNO-WMLDXEAASA-N 2 2 298.434 3.033 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180098273 542206657 /nfs/dbraw/zinc/20/66/57/542206657.db2.gz MMIAHDCQLFVJNO-WMLDXEAASA-N 2 2 298.434 3.033 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000573981547 377602560 /nfs/dbraw/zinc/60/25/60/377602560.db2.gz JWDZZCVKPKEDAF-OAGGEKHMSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000573981547 377602567 /nfs/dbraw/zinc/60/25/67/377602567.db2.gz JWDZZCVKPKEDAF-OAGGEKHMSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000252476428 377624937 /nfs/dbraw/zinc/62/49/37/377624937.db2.gz KOZKZVYKIORYSU-YUTCNCBUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000252476428 377624945 /nfs/dbraw/zinc/62/49/45/377624945.db2.gz KOZKZVYKIORYSU-YUTCNCBUSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)C[N@@H+]1C1CC1 ZINC000252712248 377654776 /nfs/dbraw/zinc/65/47/76/377654776.db2.gz LXMBAYPFMJVPPE-IPYPFGDCSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC2(C)C)C[N@H+]1C1CC1 ZINC000252712248 377654786 /nfs/dbraw/zinc/65/47/86/377654786.db2.gz LXMBAYPFMJVPPE-IPYPFGDCSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000261605618 377826541 /nfs/dbraw/zinc/82/65/41/377826541.db2.gz APDGPTIWGFUTIL-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000261605618 377826546 /nfs/dbraw/zinc/82/65/46/377826546.db2.gz APDGPTIWGFUTIL-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929595 377862835 /nfs/dbraw/zinc/86/28/35/377862835.db2.gz FYJYUGBTOGTCJG-ZIAGYGMSSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929595 377862838 /nfs/dbraw/zinc/86/28/38/377862838.db2.gz FYJYUGBTOGTCJG-ZIAGYGMSSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262049704 377883013 /nfs/dbraw/zinc/88/30/13/377883013.db2.gz QDESWIWDBSVERU-LRDDRELGSA-N 2 2 289.448 3.289 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262049704 377883016 /nfs/dbraw/zinc/88/30/16/377883016.db2.gz QDESWIWDBSVERU-LRDDRELGSA-N 2 2 289.448 3.289 20 0 CGADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183185808 542228869 /nfs/dbraw/zinc/22/88/69/542228869.db2.gz CHFXDNLIDUNUHC-QGZVFWFLSA-N 2 2 298.434 3.004 20 0 CGADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000183185808 542228873 /nfs/dbraw/zinc/22/88/73/542228873.db2.gz CHFXDNLIDUNUHC-QGZVFWFLSA-N 2 2 298.434 3.004 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000264434593 377985918 /nfs/dbraw/zinc/98/59/18/377985918.db2.gz DFKBMHJVHARTKB-UHFFFAOYSA-N 2 2 299.418 3.304 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000578056041 378032975 /nfs/dbraw/zinc/03/29/75/378032975.db2.gz NSIYAMQPTDZSJH-ZMYBRWDISA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000578056041 378032979 /nfs/dbraw/zinc/03/29/79/378032979.db2.gz NSIYAMQPTDZSJH-ZMYBRWDISA-N 2 2 284.447 3.253 20 0 CGADLP Cc1ccc(F)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343612737 378039472 /nfs/dbraw/zinc/03/94/72/378039472.db2.gz HFHCTKJNVPHDGD-UHFFFAOYSA-N 2 2 264.388 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343612737 378039476 /nfs/dbraw/zinc/03/94/76/378039476.db2.gz HFHCTKJNVPHDGD-UHFFFAOYSA-N 2 2 264.388 3.052 20 0 CGADLP CCCc1csc(C[NH2+]CCC[NH+]2CCC(C)CC2)n1 ZINC000494315851 535450560 /nfs/dbraw/zinc/45/05/60/535450560.db2.gz SJLXPRIXXHMDST-UHFFFAOYSA-N 2 2 295.496 3.307 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000578935067 378114157 /nfs/dbraw/zinc/11/41/57/378114157.db2.gz CYAQRRDBMGEXOU-UHFFFAOYSA-N 2 2 280.362 3.366 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000578935067 378114162 /nfs/dbraw/zinc/11/41/62/378114162.db2.gz CYAQRRDBMGEXOU-UHFFFAOYSA-N 2 2 280.362 3.366 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000269190855 378196700 /nfs/dbraw/zinc/19/67/00/378196700.db2.gz PWELJPCDWJHQOG-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000269190855 378196703 /nfs/dbraw/zinc/19/67/03/378196703.db2.gz PWELJPCDWJHQOG-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C ZINC000345188220 378218880 /nfs/dbraw/zinc/21/88/80/378218880.db2.gz GEFFVFWVLLVJQO-RYUDHWBXSA-N 2 2 275.421 3.215 20 0 CGADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]c3ccsc32)C[C@@H]1C ZINC000345188220 378218885 /nfs/dbraw/zinc/21/88/85/378218885.db2.gz GEFFVFWVLLVJQO-RYUDHWBXSA-N 2 2 275.421 3.215 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)[NH+](C)C ZINC000268945982 378160813 /nfs/dbraw/zinc/16/08/13/378160813.db2.gz WSFBQNNVJWJIRL-UPJWGTAASA-N 2 2 291.464 3.328 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CS1 ZINC000580309602 378240426 /nfs/dbraw/zinc/24/04/26/378240426.db2.gz VTLLVFSYSOFXRG-BMFZPTHFSA-N 2 2 282.497 3.123 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CS1 ZINC000580309602 378240432 /nfs/dbraw/zinc/24/04/32/378240432.db2.gz VTLLVFSYSOFXRG-BMFZPTHFSA-N 2 2 282.497 3.123 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000583522841 378327461 /nfs/dbraw/zinc/32/74/61/378327461.db2.gz ADDJUQJVEXVGEY-RZLSGREXSA-N 2 2 252.446 3.274 20 0 CGADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000583522841 378327465 /nfs/dbraw/zinc/32/74/65/378327465.db2.gz ADDJUQJVEXVGEY-RZLSGREXSA-N 2 2 252.446 3.274 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000270548243 378367096 /nfs/dbraw/zinc/36/70/96/378367096.db2.gz AIDADBDPQPRFSA-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC000270548243 378367098 /nfs/dbraw/zinc/36/70/98/378367098.db2.gz AIDADBDPQPRFSA-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP Cc1cccn2c(C[NH2+][C@H](C)CCC3CC3)c[nH+]c12 ZINC000345816553 378376831 /nfs/dbraw/zinc/37/68/31/378376831.db2.gz NLOLDUBEDQDCKH-CYBMUJFWSA-N 2 2 257.381 3.311 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000270636069 378379767 /nfs/dbraw/zinc/37/97/67/378379767.db2.gz HUSOAZAEXIFHAO-LLVKDONJSA-N 2 2 279.334 3.163 20 0 CGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000584427352 378383743 /nfs/dbraw/zinc/38/37/43/378383743.db2.gz RMIWEKUMPRVGSL-CYBMUJFWSA-N 2 2 288.366 3.431 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346096287 378463515 /nfs/dbraw/zinc/46/35/15/378463515.db2.gz PEVQQBXALLGQJB-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000346096287 378463517 /nfs/dbraw/zinc/46/35/17/378463517.db2.gz PEVQQBXALLGQJB-HNNXBMFYSA-N 2 2 272.417 3.338 20 0 CGADLP Cc1cc(N(C)Cc2[nH+]ccn2C)c2cc(F)ccc2[nH+]1 ZINC000271004867 378427022 /nfs/dbraw/zinc/42/70/22/378427022.db2.gz YZEKLAIZDOSCEJ-UHFFFAOYSA-N 2 2 284.338 3.052 20 0 CGADLP COC1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000346231538 378513095 /nfs/dbraw/zinc/51/30/95/378513095.db2.gz XOGDXOFHAGNCNC-MXWWQKGMSA-N 2 2 299.418 3.481 20 0 CGADLP C[C@H]1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1C ZINC000346231656 378513379 /nfs/dbraw/zinc/51/33/79/378513379.db2.gz XSZNFFDOQCIMIV-RYUDHWBXSA-N 2 2 261.394 3.022 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000346324498 378543602 /nfs/dbraw/zinc/54/36/02/378543602.db2.gz LUQCKQIWTKIHSL-MRXNPFEDSA-N 2 2 263.429 3.482 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CCC(C)C ZINC000346324498 378543611 /nfs/dbraw/zinc/54/36/11/378543611.db2.gz LUQCKQIWTKIHSL-MRXNPFEDSA-N 2 2 263.429 3.482 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346506759 378598933 /nfs/dbraw/zinc/59/89/33/378598933.db2.gz QCVVETLKCNQSRN-GUYCJALGSA-N 2 2 286.350 3.435 20 0 CGADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346506760 378599162 /nfs/dbraw/zinc/59/91/62/378599162.db2.gz QCVVETLKCNQSRN-SUMWQHHRSA-N 2 2 286.350 3.435 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000346650509 378660832 /nfs/dbraw/zinc/66/08/32/378660832.db2.gz CLRDMYQBLTUPST-OLZOCXBDSA-N 2 2 295.496 3.073 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000346650509 378660837 /nfs/dbraw/zinc/66/08/37/378660837.db2.gz CLRDMYQBLTUPST-OLZOCXBDSA-N 2 2 295.496 3.073 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1(C)C ZINC000346696065 378679052 /nfs/dbraw/zinc/67/90/52/378679052.db2.gz KZKBOYBAKQJMJT-HDEZJCGLSA-N 2 2 294.483 3.041 20 0 CGADLP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1(C)C ZINC000346696065 378679058 /nfs/dbraw/zinc/67/90/58/378679058.db2.gz KZKBOYBAKQJMJT-HDEZJCGLSA-N 2 2 294.483 3.041 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346807850 378691052 /nfs/dbraw/zinc/69/10/52/378691052.db2.gz MTVTYYULBKKYOC-XWIAVFTESA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346807850 378691055 /nfs/dbraw/zinc/69/10/55/378691055.db2.gz MTVTYYULBKKYOC-XWIAVFTESA-N 2 2 288.435 3.145 20 0 CGADLP CC[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)OC ZINC000637953582 378644255 /nfs/dbraw/zinc/64/42/55/378644255.db2.gz VLNAKPIBSJWGFU-LUKYLMHMSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)OC ZINC000637953582 378644260 /nfs/dbraw/zinc/64/42/60/378644260.db2.gz VLNAKPIBSJWGFU-LUKYLMHMSA-N 2 2 282.472 3.139 20 0 CGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000347999221 378749364 /nfs/dbraw/zinc/74/93/64/378749364.db2.gz COYOBIYPOYOOGA-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000347999221 378749371 /nfs/dbraw/zinc/74/93/71/378749371.db2.gz COYOBIYPOYOOGA-CQSZACIVSA-N 2 2 270.486 3.126 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1F ZINC000278449353 193991219 /nfs/dbraw/zinc/99/12/19/193991219.db2.gz MWPNCZGEFAWNPF-UHFFFAOYSA-N 2 2 294.414 3.187 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928930 378733455 /nfs/dbraw/zinc/73/34/55/378733455.db2.gz RMIVIXPVKMYTLA-LPHOPBHVSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000347928930 378733461 /nfs/dbraw/zinc/73/34/61/378733461.db2.gz RMIVIXPVKMYTLA-LPHOPBHVSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000347928930 378733467 /nfs/dbraw/zinc/73/34/67/378733467.db2.gz RMIVIXPVKMYTLA-LPHOPBHVSA-N 2 2 299.462 3.093 20 0 CGADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000347928930 378733473 /nfs/dbraw/zinc/73/34/73/378733473.db2.gz RMIVIXPVKMYTLA-LPHOPBHVSA-N 2 2 299.462 3.093 20 0 CGADLP CC(C)[C@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349557 378775157 /nfs/dbraw/zinc/77/51/57/378775157.db2.gz QBARLMOJBKBUKM-SJORKVTESA-N 2 2 282.472 3.046 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409240 378793365 /nfs/dbraw/zinc/79/33/65/378793365.db2.gz WNPZZFHMZVOYFB-RFQIPJPRSA-N 2 2 288.426 3.376 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638409240 378793374 /nfs/dbraw/zinc/79/33/74/378793374.db2.gz WNPZZFHMZVOYFB-RFQIPJPRSA-N 2 2 288.426 3.376 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)[C@@H](C)C2 ZINC000348186121 378829163 /nfs/dbraw/zinc/82/91/63/378829163.db2.gz LYTFYLQXUZYVPP-JCKWVBRZSA-N 2 2 281.403 3.029 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCC[N@@H+]1C ZINC000346799724 218017339 /nfs/dbraw/zinc/01/73/39/218017339.db2.gz ACIHAIHEEDIWOA-UGFHNGPFSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCC[N@H+]1C ZINC000346799724 218017341 /nfs/dbraw/zinc/01/73/41/218017341.db2.gz ACIHAIHEEDIWOA-UGFHNGPFSA-N 2 2 294.439 3.435 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)[C@@H]1CC1(F)F ZINC000638441879 378804912 /nfs/dbraw/zinc/80/49/12/378804912.db2.gz KJMVPLQIXCHGKV-QWRGUYRKSA-N 2 2 279.334 3.129 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000348264473 378873267 /nfs/dbraw/zinc/87/32/67/378873267.db2.gz XCGUPIKELXXUAW-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC1(C)C ZINC000348264473 378873271 /nfs/dbraw/zinc/87/32/71/378873271.db2.gz XCGUPIKELXXUAW-GFCCVEGCSA-N 2 2 281.469 3.073 20 0 CGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000346939325 218064786 /nfs/dbraw/zinc/06/47/86/218064786.db2.gz HVQYJSIXNAXZJD-ZFWWWQNUSA-N 2 2 290.455 3.068 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000348352613 378923442 /nfs/dbraw/zinc/92/34/42/378923442.db2.gz KZSJCEKLZALXOB-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000348352613 378923449 /nfs/dbraw/zinc/92/34/49/378923449.db2.gz KZSJCEKLZALXOB-UHFFFAOYSA-N 2 2 299.418 3.258 20 0 CGADLP Cc1cscc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000348369677 378931250 /nfs/dbraw/zinc/93/12/50/378931250.db2.gz GUFDGWXWKVLUCJ-UHFFFAOYSA-N 2 2 260.406 3.482 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000348323882 378909871 /nfs/dbraw/zinc/90/98/71/378909871.db2.gz PTDGJNFZLCZWBI-STQMWFEESA-N 2 2 281.469 3.231 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000348323882 378909875 /nfs/dbraw/zinc/90/98/75/378909875.db2.gz PTDGJNFZLCZWBI-STQMWFEESA-N 2 2 281.469 3.231 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032865 218099230 /nfs/dbraw/zinc/09/92/30/218099230.db2.gz BJQARBWJXMWKIJ-WFASDCNBSA-N 2 2 298.377 3.032 20 0 CGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000347032865 218099232 /nfs/dbraw/zinc/09/92/32/218099232.db2.gz BJQARBWJXMWKIJ-WFASDCNBSA-N 2 2 298.377 3.032 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348417618 378948808 /nfs/dbraw/zinc/94/88/08/378948808.db2.gz IUKOVUVLEBXYMH-WMZOPIPTSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348417618 378948813 /nfs/dbraw/zinc/94/88/13/378948813.db2.gz IUKOVUVLEBXYMH-WMZOPIPTSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000348437510 378955134 /nfs/dbraw/zinc/95/51/34/378955134.db2.gz NKLUNPNREVLHKR-GOSISDBHSA-N 2 2 290.451 3.196 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000348437510 378955140 /nfs/dbraw/zinc/95/51/40/378955140.db2.gz NKLUNPNREVLHKR-GOSISDBHSA-N 2 2 290.451 3.196 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000347115761 218126314 /nfs/dbraw/zinc/12/63/14/218126314.db2.gz UDUHDPUWBXNYHL-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000347115761 218126316 /nfs/dbraw/zinc/12/63/16/218126316.db2.gz UDUHDPUWBXNYHL-CYBMUJFWSA-N 2 2 293.480 3.232 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000347118308 218127202 /nfs/dbraw/zinc/12/72/02/218127202.db2.gz CROWLQIHQDYOBF-BHYGNILZSA-N 2 2 260.425 3.458 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000347118308 218127203 /nfs/dbraw/zinc/12/72/03/218127203.db2.gz CROWLQIHQDYOBF-BHYGNILZSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1oc2ccccc2c1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347156969 218140994 /nfs/dbraw/zinc/14/09/94/218140994.db2.gz DTUNBJYUPLQHER-CQSZACIVSA-N 2 2 270.376 3.068 20 0 CGADLP Cc1oc2ccccc2c1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347156969 218140995 /nfs/dbraw/zinc/14/09/95/218140995.db2.gz DTUNBJYUPLQHER-CQSZACIVSA-N 2 2 270.376 3.068 20 0 CGADLP CCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000370261486 378999703 /nfs/dbraw/zinc/99/97/03/378999703.db2.gz MSNDWQLZPMKDRP-UHFFFAOYSA-N 2 2 269.392 3.072 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC4)CC3)CC2)nc1 ZINC000276813455 379001338 /nfs/dbraw/zinc/00/13/38/379001338.db2.gz HOWFXTSWOROJMH-UHFFFAOYSA-N 2 2 299.462 3.358 20 0 CGADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639072176 379003459 /nfs/dbraw/zinc/00/34/59/379003459.db2.gz SMQLAXIJVXPDSG-ARFHVFGLSA-N 2 2 273.424 3.313 20 0 CGADLP COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124074 379164768 /nfs/dbraw/zinc/16/47/68/379164768.db2.gz ASZUZOLWYARADU-HOCLYGCPSA-N 2 2 299.418 3.022 20 0 CGADLP COc1ccc([C@@H](C)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349124074 379164775 /nfs/dbraw/zinc/16/47/75/379164775.db2.gz ASZUZOLWYARADU-HOCLYGCPSA-N 2 2 299.418 3.022 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H]1CCCO1 ZINC000192179389 542263551 /nfs/dbraw/zinc/26/35/51/542263551.db2.gz QVJWIVKCIWUHNE-MSOLQXFVSA-N 2 2 299.418 3.228 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cncc(C)c1)CCC2 ZINC000372107400 379188873 /nfs/dbraw/zinc/18/88/73/379188873.db2.gz GCPJDCHFVNKHAW-HUUCEWRRSA-N 2 2 284.407 3.123 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000278787737 194156179 /nfs/dbraw/zinc/15/61/79/194156179.db2.gz PZRHPFRJSROOOI-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000278787737 194156182 /nfs/dbraw/zinc/15/61/82/194156182.db2.gz PZRHPFRJSROOOI-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3CC[NH+]4CCC3CC4)c2)nc1 ZINC000349294899 379220877 /nfs/dbraw/zinc/22/08/77/379220877.db2.gz IWJRWJXYHCATEN-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3CC[NH+]4CCC3CC4)c2)nc1 ZINC000349294899 379220885 /nfs/dbraw/zinc/22/08/85/379220885.db2.gz IWJRWJXYHCATEN-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP CCCc1csc(C[N@H+](CCC)CCC[NH+](C)C)n1 ZINC000349341639 379237894 /nfs/dbraw/zinc/23/78/94/379237894.db2.gz BUYMJQKYYRAVBV-UHFFFAOYSA-N 2 2 283.485 3.259 20 0 CGADLP CCCc1csc(C[N@@H+](CCC)CCC[NH+](C)C)n1 ZINC000349341639 379237897 /nfs/dbraw/zinc/23/78/97/379237897.db2.gz BUYMJQKYYRAVBV-UHFFFAOYSA-N 2 2 283.485 3.259 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000349636280 379326003 /nfs/dbraw/zinc/32/60/03/379326003.db2.gz ZZMKYCJSOZSWFW-UHFFFAOYSA-N 2 2 282.403 3.133 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000639378060 379337075 /nfs/dbraw/zinc/33/70/75/379337075.db2.gz MJEBXMDGTJWBGH-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP Cc1cc[nH+]c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278887094 379408257 /nfs/dbraw/zinc/40/82/57/379408257.db2.gz PHFCESOPSWBQHE-UHFFFAOYSA-N 2 2 296.418 3.307 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccon1 ZINC000349832933 379412372 /nfs/dbraw/zinc/41/23/72/379412372.db2.gz KHPTVFVGJCOBAQ-IJEWVQPXSA-N 2 2 291.439 3.368 20 0 CGADLP C[C@H](C[NH2+]C/C=C\c1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC000349931441 379449030 /nfs/dbraw/zinc/44/90/30/379449030.db2.gz HRTSQGJXZDKUAC-XQJDBVBESA-N 2 2 291.345 3.100 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c(C)[nH+]1 ZINC000639527165 379455898 /nfs/dbraw/zinc/45/58/98/379455898.db2.gz ATVOZPBTIUVFDZ-UHFFFAOYSA-N 2 2 296.414 3.313 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CCc3ccc(O)cc3CC2)c(C)[nH+]1 ZINC000639527165 379455906 /nfs/dbraw/zinc/45/59/06/379455906.db2.gz ATVOZPBTIUVFDZ-UHFFFAOYSA-N 2 2 296.414 3.313 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3cc(F)ccc31)CCC2 ZINC000374576345 379463981 /nfs/dbraw/zinc/46/39/81/379463981.db2.gz PCIDKTKDQPFACP-RHSMWYFYSA-N 2 2 299.393 3.485 20 0 CGADLP Cc1cc(C)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1C ZINC000376727633 379595444 /nfs/dbraw/zinc/59/54/44/379595444.db2.gz FPVFQGJLHRBIAO-UHFFFAOYSA-N 2 2 283.419 3.434 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)s1 ZINC000347680483 218318849 /nfs/dbraw/zinc/31/88/49/218318849.db2.gz WARGJZJALNZYEQ-HNNXBMFYSA-N 2 2 287.432 3.152 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)s1 ZINC000347680483 218318851 /nfs/dbraw/zinc/31/88/51/218318851.db2.gz WARGJZJALNZYEQ-HNNXBMFYSA-N 2 2 287.432 3.152 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128041 322265410 /nfs/dbraw/zinc/26/54/10/322265410.db2.gz RWQBYTGNSCFFSU-AAEUAGOBSA-N 2 2 266.454 3.357 20 0 CGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950272 379619595 /nfs/dbraw/zinc/61/95/95/379619595.db2.gz MJTVCCGENCOMEK-CAOSSQGBSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950272 379619609 /nfs/dbraw/zinc/61/96/09/379619609.db2.gz MJTVCCGENCOMEK-CAOSSQGBSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950272 379619613 /nfs/dbraw/zinc/61/96/13/379619613.db2.gz MJTVCCGENCOMEK-CAOSSQGBSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@H](C)C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000350950272 379619625 /nfs/dbraw/zinc/61/96/25/379619625.db2.gz MJTVCCGENCOMEK-CAOSSQGBSA-N 2 2 252.446 3.370 20 0 CGADLP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)nc1 ZINC000639984658 379674741 /nfs/dbraw/zinc/67/47/41/379674741.db2.gz XADGIJJTDQMWHM-UHFFFAOYSA-N 2 2 287.451 3.094 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000377726973 379729989 /nfs/dbraw/zinc/72/99/89/379729989.db2.gz QFUPLCUSOQXCJM-WMLDXEAASA-N 2 2 296.418 3.349 20 0 CGADLP C[C@]1(C2CCCCC2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000640219700 379747655 /nfs/dbraw/zinc/74/76/55/379747655.db2.gz NOSGRXLCJZIIDF-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP C[C@]1(C2CCCCC2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000640219700 379747656 /nfs/dbraw/zinc/74/76/56/379747656.db2.gz NOSGRXLCJZIIDF-MRXNPFEDSA-N 2 2 261.413 3.318 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C)c1C)CCC2 ZINC000377832936 379747912 /nfs/dbraw/zinc/74/79/12/379747912.db2.gz VZHYPJUVELTYCI-KRWDZBQOSA-N 2 2 283.419 3.476 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)[nH]1 ZINC000267467566 190332345 /nfs/dbraw/zinc/33/23/45/190332345.db2.gz WUIZNJVDSGTIIK-HNNXBMFYSA-N 2 2 292.386 3.338 20 0 CGADLP CCCc1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267403720 190327142 /nfs/dbraw/zinc/32/71/42/190327142.db2.gz GMPVUIFMWRAISE-LBPRGKRZSA-N 2 2 290.436 3.198 20 0 CGADLP CCCc1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267403720 190327143 /nfs/dbraw/zinc/32/71/43/190327143.db2.gz GMPVUIFMWRAISE-LBPRGKRZSA-N 2 2 290.436 3.198 20 0 CGADLP Cc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267442214 190330854 /nfs/dbraw/zinc/33/08/54/190330854.db2.gz PFJDRYKYSWDYDJ-INIZCTEOSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267442214 190330855 /nfs/dbraw/zinc/33/08/55/190330855.db2.gz PFJDRYKYSWDYDJ-INIZCTEOSA-N 2 2 269.392 3.140 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352545456 379853120 /nfs/dbraw/zinc/85/31/20/379853120.db2.gz IZZZACRQBKZYCD-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352545456 379853125 /nfs/dbraw/zinc/85/31/25/379853125.db2.gz IZZZACRQBKZYCD-INIZCTEOSA-N 2 2 278.827 3.224 20 0 CGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000282427547 379918352 /nfs/dbraw/zinc/91/83/52/379918352.db2.gz YWJHSBJZSCLWNU-JKSUJKDBSA-N 2 2 291.439 3.069 20 0 CGADLP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716837 379920830 /nfs/dbraw/zinc/92/08/30/379920830.db2.gz HQPZSYMWCYVOIX-AVEIZBFRSA-N 2 2 294.483 3.139 20 0 CGADLP C[C@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352716837 379920837 /nfs/dbraw/zinc/92/08/37/379920837.db2.gz HQPZSYMWCYVOIX-AVEIZBFRSA-N 2 2 294.483 3.139 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547325 379901192 /nfs/dbraw/zinc/90/11/92/379901192.db2.gz MULGQCQJSAHBMY-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000389547325 379901197 /nfs/dbraw/zinc/90/11/97/379901197.db2.gz MULGQCQJSAHBMY-JKSUJKDBSA-N 2 2 278.827 3.475 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000400530844 379951852 /nfs/dbraw/zinc/95/18/52/379951852.db2.gz RPXYETVUQVOJCD-COPLHBTASA-N 2 2 286.341 3.497 20 0 CGADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)[nH]1 ZINC000352853298 380005962 /nfs/dbraw/zinc/00/59/62/380005962.db2.gz LFSGEXSCDBATNQ-IRXDYDNUSA-N 2 2 281.403 3.393 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000352897346 380023500 /nfs/dbraw/zinc/02/35/00/380023500.db2.gz BFNXFLBRPOQQKT-GLJUWKHASA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000352897346 380023503 /nfs/dbraw/zinc/02/35/03/380023503.db2.gz BFNXFLBRPOQQKT-GLJUWKHASA-N 2 2 288.435 3.219 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000283432236 380061745 /nfs/dbraw/zinc/06/17/45/380061745.db2.gz SLTXIGWBBXAKHA-UHFFFAOYSA-N 2 2 258.409 3.491 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046094 /nfs/dbraw/zinc/04/60/94/380046094.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046099 /nfs/dbraw/zinc/04/60/99/380046099.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046104 /nfs/dbraw/zinc/04/61/04/380046104.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc4cc(F)ccc4o3)[C@@H]2C1 ZINC000352931825 380046107 /nfs/dbraw/zinc/04/61/07/380046107.db2.gz OEJQDRLMNCUJPL-MLGOLLRUSA-N 2 2 288.366 3.098 20 0 CGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@H]1CC1(C)C ZINC000353114480 380121719 /nfs/dbraw/zinc/12/17/19/380121719.db2.gz BUGBBHNTKVQVQD-TZMCWYRMSA-N 2 2 270.380 3.173 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353267772 380197505 /nfs/dbraw/zinc/19/75/05/380197505.db2.gz DVKZFBUAMIEKBZ-KZNAEPCWSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353267774 380198180 /nfs/dbraw/zinc/19/81/80/380198180.db2.gz DVKZFBUAMIEKBZ-OKZBNKHCSA-N 2 2 288.435 3.117 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000353946329 380249240 /nfs/dbraw/zinc/24/92/40/380249240.db2.gz UNAIEVFCVNBPPY-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000353946329 380249246 /nfs/dbraw/zinc/24/92/46/380249246.db2.gz UNAIEVFCVNBPPY-ZNMIVQPWSA-N 2 2 284.513 3.371 20 0 CGADLP COC1([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000414308572 380210850 /nfs/dbraw/zinc/21/08/50/380210850.db2.gz GGMBDLKGKNDIHZ-HUUCEWRRSA-N 2 2 299.418 3.481 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1OC(F)F ZINC000643501302 380323130 /nfs/dbraw/zinc/32/31/30/380323130.db2.gz CHXYUFWBVWAKHR-TZMCWYRMSA-N 2 2 298.377 3.471 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643503007 380326947 /nfs/dbraw/zinc/32/69/47/380326947.db2.gz YGBCRAZSSJJMIY-KBPBESRZSA-N 2 2 252.427 3.321 20 0 CGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506761 380328315 /nfs/dbraw/zinc/32/83/15/380328315.db2.gz HWFPTVZYSCPLSM-NEPJUHHUSA-N 2 2 289.448 3.130 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506421 380328455 /nfs/dbraw/zinc/32/84/55/380328455.db2.gz WGBYUZDIIXXYCZ-SNVBAGLBSA-N 2 2 281.469 3.152 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccoc1 ZINC000643507704 380330028 /nfs/dbraw/zinc/33/00/28/380330028.db2.gz NDVWLIFMYCLFTG-OAHLLOKOSA-N 2 2 250.386 3.099 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643507580 380330841 /nfs/dbraw/zinc/33/08/41/380330841.db2.gz JGGSBBRIJFDOIV-ADEWGFFLSA-N 2 2 284.856 3.235 20 0 CGADLP COCC1(CC[NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000354118998 380334507 /nfs/dbraw/zinc/33/45/07/380334507.db2.gz YKLCMDWWAQSYBJ-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1Cl ZINC000643467555 380315658 /nfs/dbraw/zinc/31/56/58/380315658.db2.gz UHWATQSEDWKNQS-KCXAZCMYSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000354294225 380390108 /nfs/dbraw/zinc/39/01/08/380390108.db2.gz AVHBCZFFEANBQH-UHFFFAOYSA-N 2 2 271.389 3.421 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)[C@H](C[NH3+])C1 ZINC000414765459 380393977 /nfs/dbraw/zinc/39/39/77/380393977.db2.gz GBKPLHAJTWLBFV-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)[C@H](C[NH3+])C1 ZINC000414765459 380393982 /nfs/dbraw/zinc/39/39/82/380393982.db2.gz GBKPLHAJTWLBFV-KXBFYZLASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000643526071 380340243 /nfs/dbraw/zinc/34/02/43/380340243.db2.gz OTGRPCIXUJRUAP-HUUCEWRRSA-N 2 2 284.403 3.263 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000643526074 380341311 /nfs/dbraw/zinc/34/13/11/380341311.db2.gz OTNTUNINWGMEEP-PRHODGIISA-N 2 2 261.196 3.381 20 0 CGADLP CSc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000354166241 380351761 /nfs/dbraw/zinc/35/17/61/380351761.db2.gz KNADTGKBSRZRDC-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)s1 ZINC000354166241 380351765 /nfs/dbraw/zinc/35/17/65/380351765.db2.gz KNADTGKBSRZRDC-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000354166241 380351770 /nfs/dbraw/zinc/35/17/70/380351770.db2.gz KNADTGKBSRZRDC-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000354166241 380351778 /nfs/dbraw/zinc/35/17/78/380351778.db2.gz KNADTGKBSRZRDC-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP Cc1ccc(COc2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000414656818 380354674 /nfs/dbraw/zinc/35/46/74/380354674.db2.gz NMYOJSUYBCYTHQ-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP Cc1ccc(COc2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000414656818 380354681 /nfs/dbraw/zinc/35/46/81/380354681.db2.gz NMYOJSUYBCYTHQ-SFHVURJKSA-N 2 2 296.414 3.107 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000643537760 380354756 /nfs/dbraw/zinc/35/47/56/380354756.db2.gz QDUUKHBQRDVNEL-GBESFXJTSA-N 2 2 298.405 3.260 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354180937 380356482 /nfs/dbraw/zinc/35/64/82/380356482.db2.gz KDXVDQKYODIJEW-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000354180937 380356490 /nfs/dbraw/zinc/35/64/90/380356490.db2.gz KDXVDQKYODIJEW-RDJZCZTQSA-N 3 2 289.467 3.033 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414813361 380423891 /nfs/dbraw/zinc/42/38/91/380423891.db2.gz MJNWXLZNLCWIHA-CQSZACIVSA-N 2 2 289.448 3.417 20 0 CGADLP COc1ccc(C)[nH+]c1NCCCc1ccc(C)[nH+]c1 ZINC000354429378 380434178 /nfs/dbraw/zinc/43/41/78/380434178.db2.gz WUBAAVFAUBCZKH-UHFFFAOYSA-N 2 2 271.364 3.147 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826026 380436474 /nfs/dbraw/zinc/43/64/74/380436474.db2.gz DRCXEHOZODKEHU-ROUUACIJSA-N 2 2 268.404 3.297 20 0 CGADLP Cc1cccc(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827890 380438134 /nfs/dbraw/zinc/43/81/34/380438134.db2.gz HZVDBOVRBADKFE-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414832070 380440598 /nfs/dbraw/zinc/44/05/98/380440598.db2.gz DEUUUPJQCMDTHX-MRVPVSSYSA-N 2 2 279.186 3.078 20 0 CGADLP CC(C)c1cnc(C[NH2+][C@H](C[NH3+])C2CCCCC2)s1 ZINC000414834608 380442608 /nfs/dbraw/zinc/44/26/08/380442608.db2.gz GRUYOUZXRVGHRC-CYBMUJFWSA-N 2 2 281.469 3.264 20 0 CGADLP CSc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414842816 380447174 /nfs/dbraw/zinc/44/71/74/380447174.db2.gz ZPGVRLVAYKMMLI-INIZCTEOSA-N 2 2 272.417 3.198 20 0 CGADLP CCCc1csc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)n1 ZINC000414841066 380448542 /nfs/dbraw/zinc/44/85/42/380448542.db2.gz MYHFAJGJAGMNHB-AWEZNQCLSA-N 2 2 281.469 3.093 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000354461274 380448816 /nfs/dbraw/zinc/44/88/16/380448816.db2.gz IIZQWZVJEIONNJ-BBWFWOEESA-N 2 2 288.435 3.116 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414777511 380400710 /nfs/dbraw/zinc/40/07/10/380400710.db2.gz FUGQOOHIGKBPOJ-UHFFFAOYSA-N 2 2 286.341 3.327 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414777511 380400714 /nfs/dbraw/zinc/40/07/14/380400714.db2.gz FUGQOOHIGKBPOJ-UHFFFAOYSA-N 2 2 286.341 3.327 20 0 CGADLP Fc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414795798 380411071 /nfs/dbraw/zinc/41/10/71/380411071.db2.gz XAPRSFVXCZMBNP-UHFFFAOYSA-N 2 2 284.378 3.334 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000414942441 380499488 /nfs/dbraw/zinc/49/94/88/380499488.db2.gz DLEIFFXSLJNRJD-JOYOIKCWSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000414947584 380502393 /nfs/dbraw/zinc/50/23/93/380502393.db2.gz KWJZPYAGQYRVCN-BXKDBHETSA-N 2 2 273.207 3.224 20 0 CGADLP CCn1c2ccccc2c2cc(C[NH2+][C@H]3CC[NH2+]C3)ccc21 ZINC000414890820 380476290 /nfs/dbraw/zinc/47/62/90/380476290.db2.gz VQESPEFBPHGWHU-HNNXBMFYSA-N 2 2 293.414 3.266 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304312 380587978 /nfs/dbraw/zinc/58/79/78/380587978.db2.gz FENDCPUNPODVPZ-YOPIWALVSA-N 2 2 290.476 3.455 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417304312 380587985 /nfs/dbraw/zinc/58/79/85/380587985.db2.gz FENDCPUNPODVPZ-YOPIWALVSA-N 2 2 290.476 3.455 20 0 CGADLP COC1CC[NH+](CCNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000645186648 380608782 /nfs/dbraw/zinc/60/87/82/380608782.db2.gz GHVMXSRWSZAFOA-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417369762 380611842 /nfs/dbraw/zinc/61/18/42/380611842.db2.gz SNMPYOXFNCAAMI-SJORKVTESA-N 2 2 270.420 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3CC34CC4)C2)cc1 ZINC000417369762 380611845 /nfs/dbraw/zinc/61/18/45/380611845.db2.gz SNMPYOXFNCAAMI-SJORKVTESA-N 2 2 270.420 3.041 20 0 CGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C(C)(C)OC ZINC000645434382 380680416 /nfs/dbraw/zinc/68/04/16/380680416.db2.gz UQWPKEZMLCPYDI-ZDUSSCGKSA-N 2 2 289.423 3.002 20 0 CGADLP CC1(C)C[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CO1 ZINC000417840660 380682367 /nfs/dbraw/zinc/68/23/67/380682367.db2.gz LKPKZSPWHZKAED-UONOGXRCSA-N 2 2 294.464 3.042 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+](CCc1c(F)cccc1F)CC2 ZINC000645845190 380749357 /nfs/dbraw/zinc/74/93/57/380749357.db2.gz QUHARVHVTDGREE-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP C[N@H+]1CCCC12CC[NH+](CCc1c(F)cccc1F)CC2 ZINC000645845190 380749360 /nfs/dbraw/zinc/74/93/60/380749360.db2.gz QUHARVHVTDGREE-UHFFFAOYSA-N 2 2 294.389 3.068 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419361125 380813206 /nfs/dbraw/zinc/81/32/06/380813206.db2.gz SQVUPKMZQAPYTG-FPCVCCKLSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419361125 380813214 /nfs/dbraw/zinc/81/32/14/380813214.db2.gz SQVUPKMZQAPYTG-FPCVCCKLSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419361125 380813220 /nfs/dbraw/zinc/81/32/20/380813220.db2.gz SQVUPKMZQAPYTG-FPCVCCKLSA-N 2 2 252.446 3.226 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419361125 380813226 /nfs/dbraw/zinc/81/32/26/380813226.db2.gz SQVUPKMZQAPYTG-FPCVCCKLSA-N 2 2 252.446 3.226 20 0 CGADLP FC(F)(F)C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421382749 380926970 /nfs/dbraw/zinc/92/69/70/380926970.db2.gz CEBONJAWAVLCKC-GFCCVEGCSA-N 2 2 297.324 3.499 20 0 CGADLP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421382749 380926980 /nfs/dbraw/zinc/92/69/80/380926980.db2.gz CEBONJAWAVLCKC-GFCCVEGCSA-N 2 2 297.324 3.499 20 0 CGADLP CSCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356887508 380920937 /nfs/dbraw/zinc/92/09/37/380920937.db2.gz YPBJWELXTXJCSY-UHFFFAOYSA-N 2 2 298.418 3.136 20 0 CGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357144986 381045057 /nfs/dbraw/zinc/04/50/57/381045057.db2.gz KHJZTBSBBSLOKX-VXGBXAGGSA-N 2 2 290.794 3.128 20 0 CGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357144986 381045060 /nfs/dbraw/zinc/04/50/60/381045060.db2.gz KHJZTBSBBSLOKX-VXGBXAGGSA-N 2 2 290.794 3.128 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000360021569 381414319 /nfs/dbraw/zinc/41/43/19/381414319.db2.gz FUKDRVCWFUHBCT-NVXWUHKLSA-N 2 2 294.483 3.046 20 0 CGADLP COCCC1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000360021569 381414321 /nfs/dbraw/zinc/41/43/21/381414321.db2.gz FUKDRVCWFUHBCT-NVXWUHKLSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000360619134 381596749 /nfs/dbraw/zinc/59/67/49/381596749.db2.gz LAAMGIKWLIQMKQ-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP C[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000360619134 381596752 /nfs/dbraw/zinc/59/67/52/381596752.db2.gz LAAMGIKWLIQMKQ-HNNXBMFYSA-N 2 2 269.392 3.494 20 0 CGADLP CCCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(OC)cc1 ZINC000361125494 381650936 /nfs/dbraw/zinc/65/09/36/381650936.db2.gz JPZMZLPTJWYART-FHLIZLRMSA-N 2 2 290.451 3.466 20 0 CGADLP CCCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OC)cc1 ZINC000361125494 381650940 /nfs/dbraw/zinc/65/09/40/381650940.db2.gz JPZMZLPTJWYART-FHLIZLRMSA-N 2 2 290.451 3.466 20 0 CGADLP C[N@@H+](Cc1ccsc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000361496876 381775512 /nfs/dbraw/zinc/77/55/12/381775512.db2.gz NCVQITGFXQORLU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1ccsc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000361496876 381775520 /nfs/dbraw/zinc/77/55/20/381775520.db2.gz NCVQITGFXQORLU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000361496876 381775525 /nfs/dbraw/zinc/77/55/25/381775525.db2.gz NCVQITGFXQORLU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1ccsc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000361496876 381775530 /nfs/dbraw/zinc/77/55/30/381775530.db2.gz NCVQITGFXQORLU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)s1 ZINC000227591842 542293755 /nfs/dbraw/zinc/29/37/55/542293755.db2.gz CKSFSKQJMJBBNC-LLVKDONJSA-N 2 2 269.458 3.141 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)s1 ZINC000227591842 542293758 /nfs/dbraw/zinc/29/37/58/542293758.db2.gz CKSFSKQJMJBBNC-LLVKDONJSA-N 2 2 269.458 3.141 20 0 CGADLP COc1cccc([C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000363447223 382222019 /nfs/dbraw/zinc/22/20/19/382222019.db2.gz AIDILLQJIDOQFY-CYBMUJFWSA-N 2 2 285.391 3.359 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100312 382364164 /nfs/dbraw/zinc/36/41/64/382364164.db2.gz HPZJJEPZNKYMNH-TZMCWYRMSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100312 382364172 /nfs/dbraw/zinc/36/41/72/382364172.db2.gz HPZJJEPZNKYMNH-TZMCWYRMSA-N 2 2 287.794 3.198 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)s1 ZINC000251088656 542345148 /nfs/dbraw/zinc/34/51/48/542345148.db2.gz VQAFAKAXUYLSOE-CVEARBPZSA-N 2 2 278.465 3.471 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(C)s1 ZINC000251088656 542345152 /nfs/dbraw/zinc/34/51/52/542345152.db2.gz VQAFAKAXUYLSOE-CVEARBPZSA-N 2 2 278.465 3.471 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)[C@H]1C[NH3+] ZINC000252703940 542351135 /nfs/dbraw/zinc/35/11/35/542351135.db2.gz LORUGZCLUZRDCW-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)[C@H]1C[NH3+] ZINC000252703940 542351137 /nfs/dbraw/zinc/35/11/37/542351137.db2.gz LORUGZCLUZRDCW-FZMZJTMJSA-N 2 2 268.351 3.183 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692739 532949841 /nfs/dbraw/zinc/94/98/41/532949841.db2.gz BEZKCQYTYDXNNW-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692739 532949843 /nfs/dbraw/zinc/94/98/43/532949843.db2.gz BEZKCQYTYDXNNW-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000335314723 208170696 /nfs/dbraw/zinc/17/06/96/208170696.db2.gz OFQHPVIIOZGYEJ-UHFFFAOYSA-N 2 2 273.355 3.237 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746778 220295814 /nfs/dbraw/zinc/29/58/14/220295814.db2.gz DCJVHRWFFRWOCX-RYUDHWBXSA-N 2 2 270.804 3.238 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746778 220295818 /nfs/dbraw/zinc/29/58/18/220295818.db2.gz DCJVHRWFFRWOCX-RYUDHWBXSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746778 220295819 /nfs/dbraw/zinc/29/58/19/220295819.db2.gz DCJVHRWFFRWOCX-RYUDHWBXSA-N 2 2 270.804 3.238 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)C[C@@H]1C ZINC000353746778 220295823 /nfs/dbraw/zinc/29/58/23/220295823.db2.gz DCJVHRWFFRWOCX-RYUDHWBXSA-N 2 2 270.804 3.238 20 0 CGADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC000353750431 220301812 /nfs/dbraw/zinc/30/18/12/220301812.db2.gz OEWUXRCRRKINBZ-OLZOCXBDSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)s1 ZINC000353750431 220301815 /nfs/dbraw/zinc/30/18/15/220301815.db2.gz OEWUXRCRRKINBZ-OLZOCXBDSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353750431 220301819 /nfs/dbraw/zinc/30/18/19/220301819.db2.gz OEWUXRCRRKINBZ-OLZOCXBDSA-N 2 2 281.469 3.010 20 0 CGADLP CCc1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)s1 ZINC000353750431 220301822 /nfs/dbraw/zinc/30/18/22/220301822.db2.gz OEWUXRCRRKINBZ-OLZOCXBDSA-N 2 2 281.469 3.010 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289362221 197313095 /nfs/dbraw/zinc/31/30/95/197313095.db2.gz ZJDLIJIUYNQKPO-ZENOOKHLSA-N 2 2 255.365 3.110 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752692 220304358 /nfs/dbraw/zinc/30/43/58/220304358.db2.gz TXXBAYFINFGBEB-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752692 220304364 /nfs/dbraw/zinc/30/43/64/220304364.db2.gz TXXBAYFINFGBEB-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752692 220304367 /nfs/dbraw/zinc/30/43/67/220304367.db2.gz TXXBAYFINFGBEB-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2F)C[C@@H]1C ZINC000353752692 220304369 /nfs/dbraw/zinc/30/43/69/220304369.db2.gz TXXBAYFINFGBEB-HOCLYGCPSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000289373370 197317295 /nfs/dbraw/zinc/31/72/95/197317295.db2.gz AOOMIHPWONSBHE-JKSUJKDBSA-N 2 2 276.424 3.117 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1F ZINC000289336157 197300867 /nfs/dbraw/zinc/30/08/67/197300867.db2.gz VPSMDVQLCLKERX-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccc(C)o1 ZINC000423001067 533097506 /nfs/dbraw/zinc/09/75/06/533097506.db2.gz DDCFPGOIWUFXQN-BMFZPTHFSA-N 2 2 294.439 3.176 20 0 CGADLP Cc1ncsc1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289277444 197282886 /nfs/dbraw/zinc/28/28/86/197282886.db2.gz FRLXSCRGWSSQLN-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP Cc1ncsc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289277444 197282888 /nfs/dbraw/zinc/28/28/88/197282888.db2.gz FRLXSCRGWSSQLN-UHFFFAOYSA-N 2 2 275.421 3.220 20 0 CGADLP CO[C@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000289056043 197223301 /nfs/dbraw/zinc/22/33/01/197223301.db2.gz BPNZIANAMKENFD-GOSISDBHSA-N 2 2 284.403 3.300 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328401216 542443650 /nfs/dbraw/zinc/44/36/50/542443650.db2.gz ZWTLONRVMWZUAN-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000328401216 542443653 /nfs/dbraw/zinc/44/36/53/542443653.db2.gz ZWTLONRVMWZUAN-TZMCWYRMSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000348098796 542513254 /nfs/dbraw/zinc/51/32/54/542513254.db2.gz BQQYXHJLEYACBM-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000348098796 542513260 /nfs/dbraw/zinc/51/32/60/542513260.db2.gz BQQYXHJLEYACBM-LUYZLQTOSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ncc[nH]1 ZINC000353442028 542556798 /nfs/dbraw/zinc/55/67/98/542556798.db2.gz CQOVPXOHNQFGBU-OAHLLOKOSA-N 2 2 298.434 3.246 20 0 CGADLP C[C@@H](NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524361 542558355 /nfs/dbraw/zinc/55/83/55/542558355.db2.gz VRGGBMKMJOZYJY-ZBFHGGJFSA-N 2 2 290.455 3.105 20 0 CGADLP C[C@@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000353524361 542558358 /nfs/dbraw/zinc/55/83/58/542558358.db2.gz VRGGBMKMJOZYJY-ZBFHGGJFSA-N 2 2 290.455 3.105 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H]1C(C)C)CCC2 ZINC000353523614 542558473 /nfs/dbraw/zinc/55/84/73/542558473.db2.gz XYOYRJDVRBLHIR-KKUMJFAQSA-N 2 2 261.413 3.093 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489202 542579795 /nfs/dbraw/zinc/57/97/95/542579795.db2.gz RDOMLAPWWFGCTR-YOEHRIQHSA-N 2 2 296.418 3.341 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489202 542579797 /nfs/dbraw/zinc/57/97/97/542579797.db2.gz RDOMLAPWWFGCTR-YOEHRIQHSA-N 2 2 296.418 3.341 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414114376 533452427 /nfs/dbraw/zinc/45/24/27/533452427.db2.gz LNUJHSGNTPNXGP-XJKCOSOUSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccc1F ZINC000423235097 533430844 /nfs/dbraw/zinc/43/08/44/533430844.db2.gz GGEKUBAGRVNCTC-WBMJQRKESA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccs1 ZINC000423396188 533437918 /nfs/dbraw/zinc/43/79/18/533437918.db2.gz TXSFFGFMGYXAJE-DGCLKSJQSA-N 2 2 252.427 3.177 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427837936 533525018 /nfs/dbraw/zinc/52/50/18/533525018.db2.gz AQGSISPEXXGUBJ-ZFWWWQNUSA-N 2 2 261.413 3.146 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc2ccccc2n1 ZINC000368001175 533527609 /nfs/dbraw/zinc/52/76/09/533527609.db2.gz XEMJBNUAMGEKOY-TZMCWYRMSA-N 2 2 292.386 3.166 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc2ccccc2n1 ZINC000368001175 533527615 /nfs/dbraw/zinc/52/76/15/533527615.db2.gz XEMJBNUAMGEKOY-TZMCWYRMSA-N 2 2 292.386 3.166 20 0 CGADLP Cc1cccc(CCNc2cc(C)[nH+]c3ccccc23)[nH+]1 ZINC000359835680 542580972 /nfs/dbraw/zinc/58/09/72/542580972.db2.gz XMKGACLKQTWFAY-UHFFFAOYSA-N 2 2 277.371 3.323 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OC(F)F ZINC000423571584 533517994 /nfs/dbraw/zinc/51/79/94/533517994.db2.gz XULKFJCRYGJROA-VXGBXAGGSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000449369305 533640416 /nfs/dbraw/zinc/64/04/16/533640416.db2.gz BTIPYHGTQWZWIW-PMRDFSHISA-N 2 2 276.399 3.130 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000449369305 533640423 /nfs/dbraw/zinc/64/04/23/533640423.db2.gz BTIPYHGTQWZWIW-PMRDFSHISA-N 2 2 276.399 3.130 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000449167748 533670790 /nfs/dbraw/zinc/67/07/90/533670790.db2.gz KXLOPTVBZHTSKT-MRXNPFEDSA-N 2 2 299.418 3.176 20 0 CGADLP C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000396629280 542616785 /nfs/dbraw/zinc/61/67/85/542616785.db2.gz ZHOCNOUNPMNRJX-HIFRSBDPSA-N 2 2 285.391 3.090 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389404440 542608087 /nfs/dbraw/zinc/60/80/87/542608087.db2.gz LMDOHRGUCQXMFT-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000389404440 542608092 /nfs/dbraw/zinc/60/80/92/542608092.db2.gz LMDOHRGUCQXMFT-CQSZACIVSA-N 2 2 274.433 3.475 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389290464 542608737 /nfs/dbraw/zinc/60/87/37/542608737.db2.gz XISGELVMDKWKQW-SHARSMKWSA-N 2 2 276.399 3.146 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000389290464 542608738 /nfs/dbraw/zinc/60/87/38/542608738.db2.gz XISGELVMDKWKQW-SHARSMKWSA-N 2 2 276.399 3.146 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000191724336 130286885 /nfs/dbraw/zinc/28/68/85/130286885.db2.gz WHHCITHXSQCTDR-LBPRGKRZSA-N 2 2 269.348 3.326 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840492 130314999 /nfs/dbraw/zinc/31/49/99/130314999.db2.gz OSCRVPJTNVHSFQ-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840492 130315001 /nfs/dbraw/zinc/31/50/01/130315001.db2.gz OSCRVPJTNVHSFQ-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP CC(C)c1cccc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000191890316 130324578 /nfs/dbraw/zinc/32/45/78/130324578.db2.gz CDOUFQSFIWTZFE-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP CC(C)c1cccc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000191890316 130324581 /nfs/dbraw/zinc/32/45/81/130324581.db2.gz CDOUFQSFIWTZFE-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)c1 ZINC000054111469 392091315 /nfs/dbraw/zinc/09/13/15/392091315.db2.gz JGXWCZVDAPNPAF-MRXNPFEDSA-N 2 2 262.441 3.246 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)c1 ZINC000054111469 392091322 /nfs/dbraw/zinc/09/13/22/392091322.db2.gz JGXWCZVDAPNPAF-MRXNPFEDSA-N 2 2 262.441 3.246 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000361749504 392312243 /nfs/dbraw/zinc/31/22/43/392312243.db2.gz KCJHKUOEAJTWEJ-HYVNUMGLSA-N 2 2 290.451 3.322 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000361749504 392312245 /nfs/dbraw/zinc/31/22/45/392312245.db2.gz KCJHKUOEAJTWEJ-HYVNUMGLSA-N 2 2 290.451 3.322 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000361758296 392315470 /nfs/dbraw/zinc/31/54/70/392315470.db2.gz AFLVFRZMKMDYBT-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000361758296 392315476 /nfs/dbraw/zinc/31/54/76/392315476.db2.gz AFLVFRZMKMDYBT-WFASDCNBSA-N 2 2 266.816 3.221 20 0 CGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000281951068 392261519 /nfs/dbraw/zinc/26/15/19/392261519.db2.gz ANUCMRUZOBIMBM-RDJZCZTQSA-N 2 2 299.418 3.167 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)oc1C ZINC000282067781 392279323 /nfs/dbraw/zinc/27/93/23/392279323.db2.gz GZWQTCHZZSIQGZ-CYBMUJFWSA-N 2 2 258.365 3.493 20 0 CGADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000108367978 392342142 /nfs/dbraw/zinc/34/21/42/392342142.db2.gz RMHVJMFHUZMROT-CYBMUJFWSA-N 2 2 264.388 3.349 20 0 CGADLP CC1(C)CC[C@H]([N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000364848499 392439502 /nfs/dbraw/zinc/43/95/02/392439502.db2.gz AXDSVIFGDXHTNE-LSDHHAIUSA-N 2 2 250.430 3.125 20 0 CGADLP CC1(C)CC[C@H]([N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000364848499 392439508 /nfs/dbraw/zinc/43/95/08/392439508.db2.gz AXDSVIFGDXHTNE-LSDHHAIUSA-N 2 2 250.430 3.125 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152220571 392500600 /nfs/dbraw/zinc/50/06/00/392500600.db2.gz KYRZWMADWWIGHD-ZIAGYGMSSA-N 2 2 257.381 3.397 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301715396 392596641 /nfs/dbraw/zinc/59/66/41/392596641.db2.gz JOUZSBUULKLCLF-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000301715396 392596646 /nfs/dbraw/zinc/59/66/46/392596646.db2.gz JOUZSBUULKLCLF-OAHLLOKOSA-N 2 2 283.419 3.321 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(F)c1 ZINC000166411897 392608652 /nfs/dbraw/zinc/60/86/52/392608652.db2.gz WKAIRWKJEHCPHP-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(F)c1 ZINC000166411897 392608656 /nfs/dbraw/zinc/60/86/56/392608656.db2.gz WKAIRWKJEHCPHP-JKSUJKDBSA-N 2 2 264.388 3.351 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@@H+]1C1CC1 ZINC000647330767 392674844 /nfs/dbraw/zinc/67/48/44/392674844.db2.gz OBLGOFSZUHKDJU-CJNGLKHVSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C[N@H+]1C1CC1 ZINC000647330767 392674849 /nfs/dbraw/zinc/67/48/49/392674849.db2.gz OBLGOFSZUHKDJU-CJNGLKHVSA-N 2 2 288.410 3.420 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@@H+]1C ZINC000647333146 392679508 /nfs/dbraw/zinc/67/95/08/392679508.db2.gz MXXFOQJENQBOGB-UONOGXRCSA-N 2 2 276.399 3.277 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CCC2)CC[N@H+]1C ZINC000647333146 392679516 /nfs/dbraw/zinc/67/95/16/392679516.db2.gz MXXFOQJENQBOGB-UONOGXRCSA-N 2 2 276.399 3.277 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000647287650 392639484 /nfs/dbraw/zinc/63/94/84/392639484.db2.gz OIWLXAGLADQWDO-ZDUSSCGKSA-N 2 2 262.388 3.130 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000647291357 392642630 /nfs/dbraw/zinc/64/26/30/392642630.db2.gz NEMMETIZDYWROF-JCGIZDLHSA-N 2 2 287.451 3.241 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000647291357 392642634 /nfs/dbraw/zinc/64/26/34/392642634.db2.gz NEMMETIZDYWROF-JCGIZDLHSA-N 2 2 287.451 3.241 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000373010072 392656034 /nfs/dbraw/zinc/65/60/34/392656034.db2.gz AYSDYMHYOOGMIB-YCPHGPKFSA-N 2 2 276.424 3.319 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000373010072 392656040 /nfs/dbraw/zinc/65/60/40/392656040.db2.gz AYSDYMHYOOGMIB-YCPHGPKFSA-N 2 2 276.424 3.319 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000311425937 392661870 /nfs/dbraw/zinc/66/18/70/392661870.db2.gz LSUHEWOYSRXQRW-PBFPGSCMSA-N 2 2 256.393 3.061 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000311425937 392661875 /nfs/dbraw/zinc/66/18/75/392661875.db2.gz LSUHEWOYSRXQRW-PBFPGSCMSA-N 2 2 256.393 3.061 20 0 CGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553707 392767719 /nfs/dbraw/zinc/76/77/19/392767719.db2.gz HWUZFDBMBNXYKW-KRWDZBQOSA-N 2 2 288.435 3.238 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000647531150 392751656 /nfs/dbraw/zinc/75/16/56/392751656.db2.gz DJSVOQUPAWWYCW-UHFFFAOYSA-N 2 2 273.207 3.307 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647538037 392756369 /nfs/dbraw/zinc/75/63/69/392756369.db2.gz CUHGSGDCXVQRKO-CYBMUJFWSA-N 2 2 297.240 3.323 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647538037 392756378 /nfs/dbraw/zinc/75/63/78/392756378.db2.gz CUHGSGDCXVQRKO-CYBMUJFWSA-N 2 2 297.240 3.323 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2cccnc12 ZINC000647554365 392769495 /nfs/dbraw/zinc/76/94/95/392769495.db2.gz XVBRCERZUKODBL-KRWDZBQOSA-N 2 2 295.430 3.308 20 0 CGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549273 392762613 /nfs/dbraw/zinc/76/26/13/392762613.db2.gz QCGZXNSGIUMGDF-RKLWJJNISA-N 2 2 296.842 3.004 20 0 CGADLP FC(F)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553662 392766933 /nfs/dbraw/zinc/76/69/33/392766933.db2.gz GPSFMHPRPVQSFU-CQSZACIVSA-N 2 2 296.361 3.052 20 0 CGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)o1 ZINC000375445708 392783311 /nfs/dbraw/zinc/78/33/11/392783311.db2.gz VAYRSTMLHHBIIX-SJLPKXTDSA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)o1 ZINC000375445708 392783313 /nfs/dbraw/zinc/78/33/13/392783313.db2.gz VAYRSTMLHHBIIX-SJLPKXTDSA-N 2 2 299.418 3.156 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CCC2 ZINC000335757819 392813838 /nfs/dbraw/zinc/81/38/38/392813838.db2.gz GHWHBBHLXNPVMZ-KBPBESRZSA-N 2 2 291.439 3.005 20 0 CGADLP c1ccc2c(c1)C[NH+](C[C@@H]1CC[NH2+]C1)Cc1ccccc1-2 ZINC000647883915 392825495 /nfs/dbraw/zinc/82/54/95/392825495.db2.gz KALIEFGEUSABTJ-OAHLLOKOSA-N 2 2 278.399 3.279 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC000380605766 392903934 /nfs/dbraw/zinc/90/39/34/392903934.db2.gz FWRAPTKCADNGCI-KBPBESRZSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC000380605766 392903942 /nfs/dbraw/zinc/90/39/42/392903942.db2.gz FWRAPTKCADNGCI-KBPBESRZSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000380605766 392903948 /nfs/dbraw/zinc/90/39/48/392903948.db2.gz FWRAPTKCADNGCI-KBPBESRZSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000380605766 392903953 /nfs/dbraw/zinc/90/39/53/392903953.db2.gz FWRAPTKCADNGCI-KBPBESRZSA-N 2 2 298.858 3.034 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381608943 392911494 /nfs/dbraw/zinc/91/14/94/392911494.db2.gz IBNYZMUKPZNGRU-WXGPCXSOSA-N 2 2 264.457 3.275 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC3CCC2CC3)C1 ZINC000381608943 392911500 /nfs/dbraw/zinc/91/15/00/392911500.db2.gz IBNYZMUKPZNGRU-WXGPCXSOSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336415157 392855215 /nfs/dbraw/zinc/85/52/15/392855215.db2.gz ZSURHGDNFIVDPO-WCQYABFASA-N 2 2 283.366 3.002 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000489884231 542716401 /nfs/dbraw/zinc/71/64/01/542716401.db2.gz MXLIDGZCRJVBMH-UTRMSSBJSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000489884231 542716406 /nfs/dbraw/zinc/71/64/06/542716406.db2.gz MXLIDGZCRJVBMH-UTRMSSBJSA-N 2 2 284.447 3.428 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000393412065 392933868 /nfs/dbraw/zinc/93/38/68/392933868.db2.gz FKUBJDRCAWVTNK-HXUWFJFHSA-N 2 2 294.442 3.402 20 0 CGADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000393412065 392933872 /nfs/dbraw/zinc/93/38/72/392933872.db2.gz FKUBJDRCAWVTNK-HXUWFJFHSA-N 2 2 294.442 3.402 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000513673671 542733198 /nfs/dbraw/zinc/73/31/98/542733198.db2.gz VPQHNKSWCYOPRJ-CABCVRRESA-N 2 2 271.408 3.369 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)n1-c1ccccc1 ZINC000403213494 392957418 /nfs/dbraw/zinc/95/74/18/392957418.db2.gz IRXLQYRMWUARCV-BZUAXINKSA-N 2 2 281.403 3.459 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772262 392955011 /nfs/dbraw/zinc/95/50/11/392955011.db2.gz HWPHTJXOUOSASR-LVQVYYBASA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772262 392955016 /nfs/dbraw/zinc/95/50/16/392955016.db2.gz HWPHTJXOUOSASR-LVQVYYBASA-N 2 2 250.430 3.028 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000545865154 393010638 /nfs/dbraw/zinc/01/06/38/393010638.db2.gz FVQSEVHJHXGIKB-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000545865154 393010643 /nfs/dbraw/zinc/01/06/43/393010643.db2.gz FVQSEVHJHXGIKB-HNNXBMFYSA-N 2 2 250.430 3.197 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000343471367 393028242 /nfs/dbraw/zinc/02/82/42/393028242.db2.gz YTEMCAFJHYPYHB-SLEUVZQESA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000343471367 393028246 /nfs/dbraw/zinc/02/82/46/393028246.db2.gz YTEMCAFJHYPYHB-SLEUVZQESA-N 2 2 264.438 3.009 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000415043454 393108626 /nfs/dbraw/zinc/10/86/26/393108626.db2.gz RFWSYPJEVYWOOH-LBPRGKRZSA-N 2 2 273.207 3.224 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000648472371 393043298 /nfs/dbraw/zinc/04/32/98/393043298.db2.gz WNAGNISMTHQRQW-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000648472371 393043303 /nfs/dbraw/zinc/04/33/03/393043303.db2.gz WNAGNISMTHQRQW-QLFBSQMISA-N 2 2 250.430 3.029 20 0 CGADLP C[NH+](C)CC1([NH2+]CCCc2c(F)cccc2Cl)CCC1 ZINC000467545085 393105918 /nfs/dbraw/zinc/10/59/18/393105918.db2.gz ZPDSHSJOFXTYOM-UHFFFAOYSA-N 2 2 298.833 3.486 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000414682821 393052127 /nfs/dbraw/zinc/05/21/27/393052127.db2.gz YZKYHUWORNDPOR-HZPDHXFCSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000414682821 393052134 /nfs/dbraw/zinc/05/21/34/393052134.db2.gz YZKYHUWORNDPOR-HZPDHXFCSA-N 2 2 264.388 3.336 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246251456 393055110 /nfs/dbraw/zinc/05/51/10/393055110.db2.gz OAKKJEHPMXCIIT-CRAIPNDOSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246251456 393055117 /nfs/dbraw/zinc/05/51/17/393055117.db2.gz OAKKJEHPMXCIIT-CRAIPNDOSA-N 2 2 298.434 3.032 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246375540 393057214 /nfs/dbraw/zinc/05/72/14/393057214.db2.gz YYWAKOZWZXQWKR-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246375540 393057222 /nfs/dbraw/zinc/05/72/22/393057222.db2.gz YYWAKOZWZXQWKR-XJKSGUPXSA-N 2 2 273.355 3.105 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414949496 393059300 /nfs/dbraw/zinc/05/93/00/393059300.db2.gz DYYDICDEBNKCEN-LLVKDONJSA-N 2 2 254.443 3.133 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]1 ZINC000414951316 393060406 /nfs/dbraw/zinc/06/04/06/393060406.db2.gz PQUAFIJGIXZASW-JSGCOSHPSA-N 2 2 287.432 3.040 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414965162 393069959 /nfs/dbraw/zinc/06/99/59/393069959.db2.gz ZGDZPLDIMLMKJL-DOMZBBRYSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1cccc(Cl)c1 ZINC000414989400 393080748 /nfs/dbraw/zinc/08/07/48/393080748.db2.gz MSZLFWAAFWPRPI-BXKDBHETSA-N 2 2 276.758 3.016 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CCCC1 ZINC000415064582 393123645 /nfs/dbraw/zinc/12/36/45/393123645.db2.gz LBXHFYULEOXJIN-OAHLLOKOSA-N 2 2 258.365 3.040 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 ZINC000415063928 393124398 /nfs/dbraw/zinc/12/43/98/393124398.db2.gz JFWQZFIWRNGWQA-QGZVFWFLSA-N 2 2 272.367 3.178 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1sccc1OC ZINC000415068488 393125605 /nfs/dbraw/zinc/12/56/05/393125605.db2.gz RDASCTGZRQOMNC-CQSZACIVSA-N 2 2 290.432 3.109 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc(C(C)(C)C)cs1 ZINC000415081671 393133835 /nfs/dbraw/zinc/13/38/35/393133835.db2.gz NCGCLYWZQCNXLK-RYUDHWBXSA-N 2 2 281.469 3.091 20 0 CGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C2CC2)cs1 ZINC000415084864 393138899 /nfs/dbraw/zinc/13/88/99/393138899.db2.gz RSKPUOCXKQRWPP-GXTWGEPZSA-N 2 2 293.480 3.421 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nccc2ccccc21 ZINC000353266228 393217302 /nfs/dbraw/zinc/21/73/02/393217302.db2.gz ZNEFEYYERFIOLX-DZKIICNBSA-N 2 2 283.419 3.368 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccc2ccccc21 ZINC000353266228 393217305 /nfs/dbraw/zinc/21/73/05/393217305.db2.gz ZNEFEYYERFIOLX-DZKIICNBSA-N 2 2 283.419 3.368 20 0 CGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000353338016 393219751 /nfs/dbraw/zinc/21/97/51/393219751.db2.gz QZORVUKMGRLMFN-QGZVFWFLSA-N 2 2 291.414 3.134 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cscc3Cl)C2)C1 ZINC000646243468 393246997 /nfs/dbraw/zinc/24/69/97/393246997.db2.gz WYOGUPVPIKVBFB-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cscc3Cl)C2)C1 ZINC000646243468 393247002 /nfs/dbraw/zinc/24/70/02/393247002.db2.gz WYOGUPVPIKVBFB-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cscc3Cl)C2)C1 ZINC000646243468 393247012 /nfs/dbraw/zinc/24/70/12/393247012.db2.gz WYOGUPVPIKVBFB-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cscc3Cl)C2)C1 ZINC000646243468 393247018 /nfs/dbraw/zinc/24/70/18/393247018.db2.gz WYOGUPVPIKVBFB-CQSZACIVSA-N 2 2 284.856 3.319 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC ZINC000352685604 393206902 /nfs/dbraw/zinc/20/69/02/393206902.db2.gz VFXBIAWPARUOMF-COXVUDFISA-N 2 2 288.435 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC ZINC000352685604 393206910 /nfs/dbraw/zinc/20/69/10/393206910.db2.gz VFXBIAWPARUOMF-COXVUDFISA-N 2 2 288.435 3.219 20 0 CGADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000274203829 393281760 /nfs/dbraw/zinc/28/17/60/393281760.db2.gz JADWASZGTWFGIH-GJZGRUSLSA-N 2 2 287.407 3.016 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000356276386 393403885 /nfs/dbraw/zinc/40/38/85/393403885.db2.gz GIVREHXELXINSF-OAHLLOKOSA-N 2 2 261.413 3.471 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000356276386 393403891 /nfs/dbraw/zinc/40/38/91/393403891.db2.gz GIVREHXELXINSF-OAHLLOKOSA-N 2 2 261.413 3.471 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000355760688 393339226 /nfs/dbraw/zinc/33/92/26/393339226.db2.gz XTDAIMZMEVUDAI-ILXRZTDVSA-N 2 2 282.472 3.185 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000355760688 393339230 /nfs/dbraw/zinc/33/92/30/393339230.db2.gz XTDAIMZMEVUDAI-ILXRZTDVSA-N 2 2 282.472 3.185 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000474882686 393354309 /nfs/dbraw/zinc/35/43/09/393354309.db2.gz MNPBJHJYFDKMFN-OKZBNKHCSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417949344 393357363 /nfs/dbraw/zinc/35/73/63/393357363.db2.gz WIMDCGCUBSCLJV-ZFWWWQNUSA-N 2 2 285.391 3.090 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479559003 393433553 /nfs/dbraw/zinc/43/35/53/393433553.db2.gz SNFBRUIWCHIFNQ-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479559003 393433556 /nfs/dbraw/zinc/43/35/56/393433556.db2.gz SNFBRUIWCHIFNQ-LQAWEQHXSA-N 2 2 290.838 3.400 20 0 CGADLP CC(C)CCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420393256 393482237 /nfs/dbraw/zinc/48/22/37/393482237.db2.gz BZBNAXIQPIMNQL-KBPBESRZSA-N 2 2 295.496 3.148 20 0 CGADLP CC(C)CCc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420393256 393482247 /nfs/dbraw/zinc/48/22/47/393482247.db2.gz BZBNAXIQPIMNQL-KBPBESRZSA-N 2 2 295.496 3.148 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000427864492 393457275 /nfs/dbraw/zinc/45/72/75/393457275.db2.gz LXYWMYSJSJVXSX-VHSSKADRSA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000427864492 393457276 /nfs/dbraw/zinc/45/72/76/393457276.db2.gz LXYWMYSJSJVXSX-VHSSKADRSA-N 2 2 272.436 3.337 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000420308344 393458911 /nfs/dbraw/zinc/45/89/11/393458911.db2.gz CZSJBHGZCDZILZ-MRXNPFEDSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000420308344 393458914 /nfs/dbraw/zinc/45/89/14/393458914.db2.gz CZSJBHGZCDZILZ-MRXNPFEDSA-N 2 2 296.842 3.298 20 0 CGADLP COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC000420319427 393463487 /nfs/dbraw/zinc/46/34/87/393463487.db2.gz PNCDRCHURFDKEL-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)[NH3+])cc1 ZINC000420319427 393463490 /nfs/dbraw/zinc/46/34/90/393463490.db2.gz PNCDRCHURFDKEL-HNNXBMFYSA-N 2 2 284.403 3.045 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000420324726 393467954 /nfs/dbraw/zinc/46/79/54/393467954.db2.gz ZXRBVPINJGVBNY-RBUKOAKNSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000420324726 393467964 /nfs/dbraw/zinc/46/79/64/393467964.db2.gz ZXRBVPINJGVBNY-RBUKOAKNSA-N 2 2 298.405 3.185 20 0 CGADLP Cc1ccc(CCCNc2cc(C3CC3)cc[nH+]2)c[nH+]1 ZINC000356530286 393475000 /nfs/dbraw/zinc/47/50/00/393475000.db2.gz RFMBJTPCAHQXRR-UHFFFAOYSA-N 2 2 267.376 3.129 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475574678 393408807 /nfs/dbraw/zinc/40/88/07/393408807.db2.gz WZQQZXSZRSEYGA-PAYONLEZSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475574678 393408808 /nfs/dbraw/zinc/40/88/08/393408808.db2.gz WZQQZXSZRSEYGA-PAYONLEZSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+](C[C@@H]1C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357620 393496284 /nfs/dbraw/zinc/49/62/84/393496284.db2.gz VWGRBLUXUYUXIM-WBVHZDCISA-N 2 2 287.451 3.276 20 0 CGADLP CC[N@@H+](C[C@@H]1C[C@H]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000488357620 393496288 /nfs/dbraw/zinc/49/62/88/393496288.db2.gz VWGRBLUXUYUXIM-WBVHZDCISA-N 2 2 287.451 3.276 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)c1cccc(OC)c1 ZINC000488439717 393513086 /nfs/dbraw/zinc/51/30/86/393513086.db2.gz OLGDOIPVRXFADO-QILLFSRXSA-N 2 2 290.451 3.324 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000488446674 393517183 /nfs/dbraw/zinc/51/71/83/393517183.db2.gz HMICDXVEUZYJFI-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000488446674 393517188 /nfs/dbraw/zinc/51/71/88/393517188.db2.gz HMICDXVEUZYJFI-GDBMZVCRSA-N 2 2 260.425 3.143 20 0 CGADLP Cc1ccn2c(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c[nH+]c2c1 ZINC000430081612 393518304 /nfs/dbraw/zinc/51/83/04/393518304.db2.gz BXVFGTXVLUJAPV-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1ccn2c(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c[nH+]c2c1 ZINC000430081612 393518311 /nfs/dbraw/zinc/51/83/11/393518311.db2.gz BXVFGTXVLUJAPV-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000488495245 393528932 /nfs/dbraw/zinc/52/89/32/393528932.db2.gz BZYRDTGDXHYXGO-HWWQOWPSSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(Cl)c1 ZINC000488495245 393528939 /nfs/dbraw/zinc/52/89/39/393528939.db2.gz BZYRDTGDXHYXGO-HWWQOWPSSA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H](CSc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000649665824 393533034 /nfs/dbraw/zinc/53/30/34/393533034.db2.gz YPEVOHAPPIECQN-OAHLLOKOSA-N 2 2 289.448 3.386 20 0 CGADLP C[C@H](CSc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000649665824 393533039 /nfs/dbraw/zinc/53/30/39/393533039.db2.gz YPEVOHAPPIECQN-OAHLLOKOSA-N 2 2 289.448 3.386 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000359963853 393558079 /nfs/dbraw/zinc/55/80/79/393558079.db2.gz NSLCODMNRWPTCS-HZPDHXFCSA-N 2 2 282.472 3.188 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000359963853 393558084 /nfs/dbraw/zinc/55/80/84/393558084.db2.gz NSLCODMNRWPTCS-HZPDHXFCSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000360155455 393561690 /nfs/dbraw/zinc/56/16/90/393561690.db2.gz ZRACYQDCUBSQJV-CQDKDKBSSA-N 2 2 276.424 3.141 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000360155455 393561696 /nfs/dbraw/zinc/56/16/96/393561696.db2.gz ZRACYQDCUBSQJV-CQDKDKBSSA-N 2 2 276.424 3.141 20 0 CGADLP c1nc(C2CCCCC2)sc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000666783242 542815224 /nfs/dbraw/zinc/81/52/24/542815224.db2.gz OIDRMJAAVOJREQ-CYBMUJFWSA-N 2 2 279.453 3.032 20 0 CGADLP Clc1cscc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000666805509 542816982 /nfs/dbraw/zinc/81/69/82/542816982.db2.gz JQWMGKXQQFRUDR-UHFFFAOYSA-N 2 2 295.839 3.066 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2nc3c(s2)CCCC3)CCCCCC1 ZINC000666808170 542817227 /nfs/dbraw/zinc/81/72/27/542817227.db2.gz LHIZCSQCUNSSPD-UHFFFAOYSA-N 2 2 293.480 3.163 20 0 CGADLP CC[C@@H](C[NH2+]CCSCc1ccccc1)[NH+]1CCCC1 ZINC000430748149 393593464 /nfs/dbraw/zinc/59/34/64/393593464.db2.gz CDVGOXLPFAYUBE-KRWDZBQOSA-N 2 2 292.492 3.384 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000421021256 393581206 /nfs/dbraw/zinc/58/12/06/393581206.db2.gz OHNKIHSWNUAJBB-MRXNPFEDSA-N 2 2 269.392 3.151 20 0 CGADLP CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000421021256 393581208 /nfs/dbraw/zinc/58/12/08/393581208.db2.gz OHNKIHSWNUAJBB-MRXNPFEDSA-N 2 2 269.392 3.151 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000360779615 393586730 /nfs/dbraw/zinc/58/67/30/393586730.db2.gz BDMOTPYIXJHQMY-JTOWHCCKSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000360779615 393586737 /nfs/dbraw/zinc/58/67/37/393586737.db2.gz BDMOTPYIXJHQMY-JTOWHCCKSA-N 2 2 290.426 3.392 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000360986024 393629537 /nfs/dbraw/zinc/62/95/37/393629537.db2.gz JBBDYVFFHZGUAD-MAUKXSAKSA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000360986024 393629541 /nfs/dbraw/zinc/62/95/41/393629541.db2.gz JBBDYVFFHZGUAD-MAUKXSAKSA-N 2 2 288.435 3.234 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423186912 393653213 /nfs/dbraw/zinc/65/32/13/393653213.db2.gz KNTUNLQJBHFSEP-XOKHGSTOSA-N 2 2 258.409 3.213 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1OC ZINC000361147452 393684297 /nfs/dbraw/zinc/68/42/97/393684297.db2.gz SINFHJYQUJSZLU-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)ccc1OC ZINC000361147452 393684301 /nfs/dbraw/zinc/68/43/01/393684301.db2.gz SINFHJYQUJSZLU-UHFFFAOYSA-N 2 2 294.414 3.142 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000423504613 393671879 /nfs/dbraw/zinc/67/18/79/393671879.db2.gz NOCBETNYNHHFKK-YPMHNXCESA-N 2 2 281.469 3.435 20 0 CGADLP CC(C)CSCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000443599330 393766022 /nfs/dbraw/zinc/76/60/22/393766022.db2.gz BBTFYNGACOHLPP-UHFFFAOYSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494402645 393775489 /nfs/dbraw/zinc/77/54/89/393775489.db2.gz FSAMPVJFJQNYKN-INIZCTEOSA-N 2 2 269.392 3.111 20 0 CGADLP C[N@H+](CCC1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445440121 393794088 /nfs/dbraw/zinc/79/40/88/393794088.db2.gz LMCAGKYHNLJPJA-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP C[N@@H+](CCC1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445440121 393794093 /nfs/dbraw/zinc/79/40/93/393794093.db2.gz LMCAGKYHNLJPJA-UHFFFAOYSA-N 2 2 278.362 3.135 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000449061269 393874700 /nfs/dbraw/zinc/87/47/00/393874700.db2.gz IBLNIQNJBIFVJP-YXJHDRRASA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000449553918 393899224 /nfs/dbraw/zinc/89/92/24/393899224.db2.gz NBLYCIKRZHUFDU-GDBMZVCRSA-N 2 2 295.496 3.317 20 0 CGADLP CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000449553918 393899228 /nfs/dbraw/zinc/89/92/28/393899228.db2.gz NBLYCIKRZHUFDU-GDBMZVCRSA-N 2 2 295.496 3.317 20 0 CGADLP CO[C@@H]1C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635859 393930352 /nfs/dbraw/zinc/93/03/52/393930352.db2.gz VCFCGLPRMDZRGB-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C12CCC2 ZINC000449635859 393930354 /nfs/dbraw/zinc/93/03/54/393930354.db2.gz VCFCGLPRMDZRGB-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565624 394019869 /nfs/dbraw/zinc/01/98/69/394019869.db2.gz KYFUPTMDEARLCA-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565624 394019872 /nfs/dbraw/zinc/01/98/72/394019872.db2.gz KYFUPTMDEARLCA-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565624 394019877 /nfs/dbraw/zinc/01/98/77/394019877.db2.gz KYFUPTMDEARLCA-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)=O)cc2)[C@@H](C)C1 ZINC000450565624 394019879 /nfs/dbraw/zinc/01/98/79/394019879.db2.gz KYFUPTMDEARLCA-KSSFIOAISA-N 2 2 288.435 3.051 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000453122912 394179234 /nfs/dbraw/zinc/17/92/34/394179234.db2.gz GSHHWSUWHVGJMA-HLLBOEOZSA-N 2 2 287.451 3.008 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000453122912 394179238 /nfs/dbraw/zinc/17/92/38/394179238.db2.gz GSHHWSUWHVGJMA-HLLBOEOZSA-N 2 2 287.451 3.008 20 0 CGADLP c1c(CC[NH2+][C@@H](C2CC2)C2CCCC2)[nH+]c2ccccn12 ZINC000453072716 394161644 /nfs/dbraw/zinc/16/16/44/394161644.db2.gz FVRZKBRIJHFFMF-GOSISDBHSA-N 2 2 283.419 3.435 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H](C)n2cc[nH+]c21)CC(C)C ZINC000453098988 394170626 /nfs/dbraw/zinc/17/06/26/394170626.db2.gz XKBKILRAGUMXLJ-PMPSAXMXSA-N 2 2 292.471 3.235 20 0 CGADLP C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453245670 394217769 /nfs/dbraw/zinc/21/77/69/394217769.db2.gz IKJLQNOVZTVCOL-YGONEPDPSA-N 2 2 273.355 3.414 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453393119 394229820 /nfs/dbraw/zinc/22/98/20/394229820.db2.gz IAJPZFNGEPCRQK-QGZVFWFLSA-N 2 2 287.451 3.387 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453393119 394229823 /nfs/dbraw/zinc/22/98/23/394229823.db2.gz IAJPZFNGEPCRQK-QGZVFWFLSA-N 2 2 287.451 3.387 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667493566 542876497 /nfs/dbraw/zinc/87/64/97/542876497.db2.gz WMFZGRHVUWZMIZ-INIZCTEOSA-N 2 2 285.366 3.306 20 0 CGADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000667493566 542876500 /nfs/dbraw/zinc/87/65/00/542876500.db2.gz WMFZGRHVUWZMIZ-INIZCTEOSA-N 2 2 285.366 3.306 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1F ZINC000667514891 542882729 /nfs/dbraw/zinc/88/27/29/542882729.db2.gz OLOFICXYNTUVGS-UHFFFAOYSA-N 2 2 275.371 3.280 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1F ZINC000667514891 542882731 /nfs/dbraw/zinc/88/27/31/542882731.db2.gz OLOFICXYNTUVGS-UHFFFAOYSA-N 2 2 275.371 3.280 20 0 CGADLP Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590523 542895191 /nfs/dbraw/zinc/89/51/91/542895191.db2.gz XYPPQYSDPABKMO-KRWDZBQOSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590523 542895193 /nfs/dbraw/zinc/89/51/93/542895193.db2.gz XYPPQYSDPABKMO-KRWDZBQOSA-N 2 2 295.430 3.345 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000667641848 542902354 /nfs/dbraw/zinc/90/23/54/542902354.db2.gz FVDPBMYHXYEKTK-INIZCTEOSA-N 2 2 259.397 3.051 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1C ZINC000667641848 542902357 /nfs/dbraw/zinc/90/23/57/542902357.db2.gz FVDPBMYHXYEKTK-INIZCTEOSA-N 2 2 259.397 3.051 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCCC13CCCCC3)CCC2 ZINC000667674419 542914417 /nfs/dbraw/zinc/91/44/17/542914417.db2.gz GYNZTNQODXFLCQ-UHFFFAOYSA-N 2 2 259.397 3.128 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCC13CCCCC3)CCC2 ZINC000667674419 542914420 /nfs/dbraw/zinc/91/44/20/542914420.db2.gz GYNZTNQODXFLCQ-UHFFFAOYSA-N 2 2 259.397 3.128 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681638 542915577 /nfs/dbraw/zinc/91/55/77/542915577.db2.gz NHWHJOLOFHAIOZ-HNNXBMFYSA-N 2 2 285.435 3.250 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681638 542915581 /nfs/dbraw/zinc/91/55/81/542915581.db2.gz NHWHJOLOFHAIOZ-HNNXBMFYSA-N 2 2 285.435 3.250 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681638 542915585 /nfs/dbraw/zinc/91/55/85/542915585.db2.gz NHWHJOLOFHAIOZ-HNNXBMFYSA-N 2 2 285.435 3.250 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000667681638 542915586 /nfs/dbraw/zinc/91/55/86/542915586.db2.gz NHWHJOLOFHAIOZ-HNNXBMFYSA-N 2 2 285.435 3.250 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695366 542918635 /nfs/dbraw/zinc/91/86/35/542918635.db2.gz QSBMSJCAMPJCPO-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(C)n2C)C1(CC)CC ZINC000667695366 542918638 /nfs/dbraw/zinc/91/86/38/542918638.db2.gz QSBMSJCAMPJCPO-HZPDHXFCSA-N 2 2 293.455 3.144 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)Cc1ccsc1 ZINC000668014253 542958540 /nfs/dbraw/zinc/95/85/40/542958540.db2.gz WFIIBCPPYBIMEO-LBPRGKRZSA-N 2 2 277.437 3.243 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)Cc1ccsc1 ZINC000668014253 542958544 /nfs/dbraw/zinc/95/85/44/542958544.db2.gz WFIIBCPPYBIMEO-LBPRGKRZSA-N 2 2 277.437 3.243 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000423253473 285600150 /nfs/dbraw/zinc/60/01/50/285600150.db2.gz ZDWLTHOFELPPTN-LBPRGKRZSA-N 2 2 252.427 3.059 20 0 CGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(F)cc21 ZINC000668291697 543002289 /nfs/dbraw/zinc/00/22/89/543002289.db2.gz SQYTWSCRRMRWRV-CYBMUJFWSA-N 2 2 299.393 3.130 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(F)cc21 ZINC000668291697 543002291 /nfs/dbraw/zinc/00/22/91/543002291.db2.gz SQYTWSCRRMRWRV-CYBMUJFWSA-N 2 2 299.393 3.130 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668460063 543015486 /nfs/dbraw/zinc/01/54/86/543015486.db2.gz KLWDXGXKFJPRDF-HPUBIQBYSA-N 2 2 288.435 3.059 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668460063 543015489 /nfs/dbraw/zinc/01/54/89/543015489.db2.gz KLWDXGXKFJPRDF-HPUBIQBYSA-N 2 2 288.435 3.059 20 0 CGADLP Cc1ccc(CCC[NH2+]CCCOC(C)(C)C)c[nH+]1 ZINC000668562879 543027897 /nfs/dbraw/zinc/02/78/97/543027897.db2.gz HJOJZCIJNAUFLA-UHFFFAOYSA-N 2 2 264.413 3.117 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000668682582 543044856 /nfs/dbraw/zinc/04/48/56/543044856.db2.gz KLGXGSDNENMVSL-WWDZGPRUSA-N 2 2 272.436 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000668682582 543044858 /nfs/dbraw/zinc/04/48/58/543044858.db2.gz KLGXGSDNENMVSL-WWDZGPRUSA-N 2 2 272.436 3.181 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H](O)[C@H](C)c2ccccc2)c[nH+]1 ZINC000668753543 543055779 /nfs/dbraw/zinc/05/57/79/543055779.db2.gz JSAFHWOXFAAAFJ-APWZRJJASA-N 2 2 298.430 3.077 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419024 543104756 /nfs/dbraw/zinc/10/47/56/543104756.db2.gz ZGQIQRGGMLMTTH-DMRZNYOFSA-N 2 2 290.476 3.314 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419024 543104759 /nfs/dbraw/zinc/10/47/59/543104759.db2.gz ZGQIQRGGMLMTTH-DMRZNYOFSA-N 2 2 290.476 3.314 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c[nH+]1 ZINC000669680196 543116667 /nfs/dbraw/zinc/11/66/67/543116667.db2.gz YPCLJXCSVNXHTQ-FUHWJXTLSA-N 2 2 298.434 3.374 20 0 CGADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000669681825 543116815 /nfs/dbraw/zinc/11/68/15/543116815.db2.gz LBHGJBAFIWLTFN-NZSAHSFTSA-N 2 2 299.462 3.182 20 0 CGADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000669681825 543116817 /nfs/dbraw/zinc/11/68/17/543116817.db2.gz LBHGJBAFIWLTFN-NZSAHSFTSA-N 2 2 299.462 3.182 20 0 CGADLP CC(C)C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000671305318 543168110 /nfs/dbraw/zinc/16/81/10/543168110.db2.gz SXVSRDQJJHZHLD-HNNXBMFYSA-N 2 2 263.429 3.448 20 0 CGADLP CC(C)C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000671305318 543168111 /nfs/dbraw/zinc/16/81/11/543168111.db2.gz SXVSRDQJJHZHLD-HNNXBMFYSA-N 2 2 263.429 3.448 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000674049546 543265726 /nfs/dbraw/zinc/26/57/26/543265726.db2.gz QHCYTPCDZVMEHA-BBRMVZONSA-N 2 2 269.392 3.092 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000020093897 397605071 /nfs/dbraw/zinc/60/50/71/397605071.db2.gz ULFXUAHSYYGYHE-HNNXBMFYSA-N 2 2 260.406 3.141 20 0 CGADLP Cc1c2cccc(C)c2oc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000649819762 397728404 /nfs/dbraw/zinc/72/84/04/397728404.db2.gz DQFHZASXBVEVBO-UHFFFAOYSA-N 2 2 283.375 3.378 20 0 CGADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000387735719 397690448 /nfs/dbraw/zinc/69/04/48/397690448.db2.gz OXEOISGTVIEZRS-YOEHRIQHSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000387735719 397690449 /nfs/dbraw/zinc/69/04/49/397690449.db2.gz OXEOISGTVIEZRS-YOEHRIQHSA-N 2 2 299.418 3.209 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650712117 397899051 /nfs/dbraw/zinc/89/90/51/397899051.db2.gz RBGINUHGECGZDG-CHWSQXEVSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650712117 397899054 /nfs/dbraw/zinc/89/90/54/397899054.db2.gz RBGINUHGECGZDG-CHWSQXEVSA-N 2 2 295.496 3.390 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650712023 397899190 /nfs/dbraw/zinc/89/91/90/397899190.db2.gz NFQSZPCXFOBIGW-CHWSQXEVSA-N 2 2 281.469 3.216 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650712023 397899192 /nfs/dbraw/zinc/89/91/92/397899192.db2.gz NFQSZPCXFOBIGW-CHWSQXEVSA-N 2 2 281.469 3.216 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000675766600 543362113 /nfs/dbraw/zinc/36/21/13/543362113.db2.gz MIHPOMFPLHNAEM-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000675766600 543362115 /nfs/dbraw/zinc/36/21/15/543362115.db2.gz MIHPOMFPLHNAEM-DLBZAZTESA-N 2 2 258.409 3.212 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000675732883 543358487 /nfs/dbraw/zinc/35/84/87/543358487.db2.gz MFVWKIXUWQHMGH-VQIMIIECSA-N 2 2 286.463 3.308 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000675732883 543358490 /nfs/dbraw/zinc/35/84/90/543358490.db2.gz MFVWKIXUWQHMGH-VQIMIIECSA-N 2 2 286.463 3.308 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834671 543368308 /nfs/dbraw/zinc/36/83/08/543368308.db2.gz XVBLYNUGSKGCNA-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C2CC2)c1 ZINC000675834671 543368310 /nfs/dbraw/zinc/36/83/10/543368310.db2.gz XVBLYNUGSKGCNA-VQTJNVASSA-N 2 2 298.474 3.390 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917620 543373718 /nfs/dbraw/zinc/37/37/18/543373718.db2.gz DGKJIVUQZWISBR-ZBFHGGJFSA-N 2 2 271.408 3.482 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccoc3)[nH+]c12 ZINC000675925862 543374304 /nfs/dbraw/zinc/37/43/04/543374304.db2.gz BUOXOXZZRFKLCE-ZDUSSCGKSA-N 2 2 269.348 3.129 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000676112689 543383059 /nfs/dbraw/zinc/38/30/59/543383059.db2.gz MZVQVGSUHSDOLZ-NJAFHUGGSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676112689 543383063 /nfs/dbraw/zinc/38/30/63/543383063.db2.gz MZVQVGSUHSDOLZ-NJAFHUGGSA-N 2 2 290.451 3.054 20 0 CGADLP c1[nH+]c2ccccn2c1CNc1cccc2cc[nH+]cc21 ZINC000676324292 543392021 /nfs/dbraw/zinc/39/20/21/543392021.db2.gz KDXZRYJSTMCIPS-UHFFFAOYSA-N 2 2 274.327 3.495 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749642 543463884 /nfs/dbraw/zinc/46/38/84/543463884.db2.gz PEVBQPNOXDDVDW-PVAVHDDUSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749642 543463885 /nfs/dbraw/zinc/46/38/85/543463885.db2.gz PEVBQPNOXDDVDW-PVAVHDDUSA-N 2 2 272.436 3.285 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000677806924 543466828 /nfs/dbraw/zinc/46/68/28/543466828.db2.gz UPAMWBGHLXCKBE-QGZVFWFLSA-N 2 2 270.420 3.348 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000677806924 543466829 /nfs/dbraw/zinc/46/68/29/543466829.db2.gz UPAMWBGHLXCKBE-QGZVFWFLSA-N 2 2 270.420 3.348 20 0 CGADLP CC(C)[C@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000677984856 543475237 /nfs/dbraw/zinc/47/52/37/543475237.db2.gz SAQBJDXWTPJTQA-KRWDZBQOSA-N 2 2 269.392 3.139 20 0 CGADLP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000677984856 543475240 /nfs/dbraw/zinc/47/52/40/543475240.db2.gz SAQBJDXWTPJTQA-KRWDZBQOSA-N 2 2 269.392 3.139 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3cnccc3C)c[nH+]c12 ZINC000678362205 543518052 /nfs/dbraw/zinc/51/80/52/543518052.db2.gz UFTFDMJFFVKBSI-AWEZNQCLSA-N 2 2 280.375 3.197 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000678769903 543555959 /nfs/dbraw/zinc/55/59/59/543555959.db2.gz BIPMMQHMBZAQEM-WMZOPIPTSA-N 2 2 288.410 3.277 20 0 CGADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000678769903 543555962 /nfs/dbraw/zinc/55/59/62/543555962.db2.gz BIPMMQHMBZAQEM-WMZOPIPTSA-N 2 2 288.410 3.277 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(F)c1 ZINC000423266428 286370833 /nfs/dbraw/zinc/37/08/33/286370833.db2.gz SAHJBHPDHJKUTA-YVEFUNNKSA-N 2 2 294.414 3.393 20 0 CGADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000071120427 286992293 /nfs/dbraw/zinc/99/22/93/286992293.db2.gz CDGHKTHDAWJWIO-HOTGVXAUSA-N 2 2 252.446 3.277 20 0 CGADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081638109 287075776 /nfs/dbraw/zinc/07/57/76/287075776.db2.gz SJFMIXZIHLWQDT-JKSUJKDBSA-N 2 2 261.413 3.222 20 0 CGADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]cc2Cl)c1C ZINC000080983331 165160518 /nfs/dbraw/zinc/16/05/18/165160518.db2.gz RKHNXZPWALNKQW-UHFFFAOYSA-N 2 2 291.782 3.392 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959809 165278497 /nfs/dbraw/zinc/27/84/97/165278497.db2.gz JSXKGHRHBZVRHB-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000091959809 165278501 /nfs/dbraw/zinc/27/85/01/165278501.db2.gz JSXKGHRHBZVRHB-WMLDXEAASA-N 2 2 287.382 3.414 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000092738726 165312557 /nfs/dbraw/zinc/31/25/57/165312557.db2.gz KMNBQHPXTHDXIW-OAHLLOKOSA-N 2 2 292.386 3.177 20 0 CGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccccc1 ZINC000094422557 165349303 /nfs/dbraw/zinc/34/93/03/165349303.db2.gz NSGTZAVFWXLHJH-HZPDHXFCSA-N 2 2 290.451 3.225 20 0 CGADLP Cc1cnc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)s1 ZINC000119095525 287164985 /nfs/dbraw/zinc/16/49/85/287164985.db2.gz LYFJJBFNTDNYKW-HNNXBMFYSA-N 2 2 293.480 3.368 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000284314853 196028743 /nfs/dbraw/zinc/02/87/43/196028743.db2.gz LMRVAVQTHXDXFN-HNNXBMFYSA-N 2 2 255.365 3.151 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000124504372 287234143 /nfs/dbraw/zinc/23/41/43/287234143.db2.gz KBZFQKUWCSJLIL-ZJUUUORDSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000124504372 287234144 /nfs/dbraw/zinc/23/41/44/287234144.db2.gz KBZFQKUWCSJLIL-ZJUUUORDSA-N 2 2 273.207 3.305 20 0 CGADLP c1ccc(C2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000020126754 171011101 /nfs/dbraw/zinc/01/11/01/171011101.db2.gz JCPXKEHAXYGZPY-UHFFFAOYSA-N 2 2 272.436 3.398 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(OC(F)F)c1 ZINC000020127054 171011943 /nfs/dbraw/zinc/01/19/43/171011943.db2.gz KXUIULPPDKQXFS-LBPRGKRZSA-N 2 2 284.350 3.034 20 0 CGADLP C[NH+](C)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000020129444 171017762 /nfs/dbraw/zinc/01/77/62/171017762.db2.gz LQNRNTXGYFOVDO-NVXWUHKLSA-N 2 2 258.409 3.235 20 0 CGADLP C[NH+](C)C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000020129445 171018382 /nfs/dbraw/zinc/01/83/82/171018382.db2.gz LQNRNTXGYFOVDO-WBVHZDCISA-N 2 2 258.409 3.235 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480621535 287271429 /nfs/dbraw/zinc/27/14/29/287271429.db2.gz FJWCLUBLTNNJDD-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480621535 287271431 /nfs/dbraw/zinc/27/14/31/287271431.db2.gz FJWCLUBLTNNJDD-APWZRJJASA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037154221 172987575 /nfs/dbraw/zinc/98/75/75/172987575.db2.gz QYOHRNFAWIUPDB-HZPDHXFCSA-N 2 2 290.451 3.177 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037320316 173120638 /nfs/dbraw/zinc/12/06/38/173120638.db2.gz ILLCSINXNUEIGB-QWRGUYRKSA-N 2 2 281.762 3.415 20 0 CGADLP Cc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000040437448 174262537 /nfs/dbraw/zinc/26/25/37/174262537.db2.gz BVNLOVMYBKAPRD-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767453 174397982 /nfs/dbraw/zinc/39/79/82/174397982.db2.gz HAMXHQBJOCNDET-MRXNPFEDSA-N 2 2 290.451 3.179 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527859 175192834 /nfs/dbraw/zinc/19/28/34/175192834.db2.gz YALQBVYPTJHCLA-NWDGAFQWSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527859 175192836 /nfs/dbraw/zinc/19/28/36/175192836.db2.gz YALQBVYPTJHCLA-NWDGAFQWSA-N 2 2 297.240 3.181 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)c[nH+]1 ZINC000044583715 175210543 /nfs/dbraw/zinc/21/05/43/175210543.db2.gz OVKLGZNIAGAPGU-HNNXBMFYSA-N 2 2 267.376 3.318 20 0 CGADLP Clc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310843699 416531977 /nfs/dbraw/zinc/53/19/77/416531977.db2.gz BPQIHLKOWZUPJQ-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000310843699 416531983 /nfs/dbraw/zinc/53/19/83/416531983.db2.gz BPQIHLKOWZUPJQ-AAEUAGOBSA-N 2 2 284.856 3.366 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000130224245 287347942 /nfs/dbraw/zinc/34/79/42/287347942.db2.gz BNEBEBSPCVXLKB-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130641227 287360009 /nfs/dbraw/zinc/36/00/09/287360009.db2.gz OMFOJCWXFWMWGG-KBPBESRZSA-N 2 2 271.408 3.291 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131056825 287369582 /nfs/dbraw/zinc/36/95/82/287369582.db2.gz HBTRRFONSGKKET-IRXDYDNUSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000131056825 287369583 /nfs/dbraw/zinc/36/95/83/287369583.db2.gz HBTRRFONSGKKET-IRXDYDNUSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131056628 287369601 /nfs/dbraw/zinc/36/96/01/287369601.db2.gz HBTRRFONSGKKET-DLBZAZTESA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131056628 287369602 /nfs/dbraw/zinc/36/96/02/287369602.db2.gz HBTRRFONSGKKET-DLBZAZTESA-N 2 2 260.425 3.253 20 0 CGADLP Cc1c[nH+]ccc1CCNc1cc[nH+]c2c(O)cccc12 ZINC000684579684 544015699 /nfs/dbraw/zinc/01/56/99/544015699.db2.gz PCLFCYQMKKRXBK-UHFFFAOYSA-N 2 2 279.343 3.298 20 0 CGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000684358249 543984667 /nfs/dbraw/zinc/98/46/67/543984667.db2.gz WNUGNDLIIOFXQA-UHFFFAOYSA-N 2 2 276.424 3.214 20 0 CGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000684358249 543984670 /nfs/dbraw/zinc/98/46/70/543984670.db2.gz WNUGNDLIIOFXQA-UHFFFAOYSA-N 2 2 276.424 3.214 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@@H](F)C2)c[nH+]1 ZINC000684392473 543992303 /nfs/dbraw/zinc/99/23/03/543992303.db2.gz KEYYVACRKPIMFK-WFASDCNBSA-N 2 2 250.361 3.003 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](F)C2)c[nH+]1 ZINC000684392473 543992305 /nfs/dbraw/zinc/99/23/05/543992305.db2.gz KEYYVACRKPIMFK-WFASDCNBSA-N 2 2 250.361 3.003 20 0 CGADLP COC1CC[NH+](CC[NH2+]CCCC2CCCCC2)CC1 ZINC000685426222 544067756 /nfs/dbraw/zinc/06/77/56/544067756.db2.gz DWPBTRZYEAKICG-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1cccc2[nH+]cc(C[NH+]3CCC4(CCC4)CC3)n21 ZINC000685444276 544072369 /nfs/dbraw/zinc/07/23/69/544072369.db2.gz QCBXRGCARCIJSA-UHFFFAOYSA-N 2 2 269.392 3.409 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000685470827 544078492 /nfs/dbraw/zinc/07/84/92/544078492.db2.gz VAJGRVJSADHCME-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000685470827 544078494 /nfs/dbraw/zinc/07/84/94/544078494.db2.gz VAJGRVJSADHCME-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000685470827 544078497 /nfs/dbraw/zinc/07/84/97/544078497.db2.gz VAJGRVJSADHCME-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP CCCc1csc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000685470827 544078500 /nfs/dbraw/zinc/07/85/00/544078500.db2.gz VAJGRVJSADHCME-DZGCQCFKSA-N 2 2 293.480 3.012 20 0 CGADLP COc1cc(C)c(C)cc1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665236715 419086944 /nfs/dbraw/zinc/08/69/44/419086944.db2.gz SKKKFGVQLUYCHG-QLFBSQMISA-N 2 2 274.408 3.112 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665238243 419088418 /nfs/dbraw/zinc/08/84/18/419088418.db2.gz UTNJIMZLDJBRHO-FZMZJTMJSA-N 2 2 286.341 3.025 20 0 CGADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCCC[NH2+]1 ZINC000665237605 419088639 /nfs/dbraw/zinc/08/86/39/419088639.db2.gz FJWPFIQPBFQJJJ-SWLSCSKDSA-N 2 2 258.365 3.053 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000655767533 419091717 /nfs/dbraw/zinc/09/17/17/419091717.db2.gz HHQGMVKKCZNFGV-GOEBONIOSA-N 2 2 281.403 3.161 20 0 CGADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000655767533 419091719 /nfs/dbraw/zinc/09/17/19/419091719.db2.gz HHQGMVKKCZNFGV-GOEBONIOSA-N 2 2 281.403 3.161 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665249227 419092347 /nfs/dbraw/zinc/09/23/47/419092347.db2.gz LTOKRKFXHJFYFE-LLVKDONJSA-N 2 2 282.815 3.271 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000665275245 419098553 /nfs/dbraw/zinc/09/85/53/419098553.db2.gz GFRGHZYXPAGTSF-FZMZJTMJSA-N 2 2 286.341 3.025 20 0 CGADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc2cc(Cl)ccc2o1 ZINC000665278431 419100219 /nfs/dbraw/zinc/10/02/19/419100219.db2.gz FDNDYEKIUFLAPU-SGWRBKMISA-N 2 2 290.794 3.489 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000665294047 419107253 /nfs/dbraw/zinc/10/72/53/419107253.db2.gz HDOZFDSDISWTEH-STQMWFEESA-N 2 2 272.392 3.107 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000665293892 419107370 /nfs/dbraw/zinc/10/73/70/419107370.db2.gz DWRFTKKSXLGBQU-RKDXNWHRSA-N 2 2 261.196 3.252 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000665294232 419107748 /nfs/dbraw/zinc/10/77/48/419107748.db2.gz KUVYXZDXGQGRHZ-LSDHHAIUSA-N 2 2 278.440 3.370 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH2+]C ZINC000665295768 419108364 /nfs/dbraw/zinc/10/83/64/419108364.db2.gz ISSBMGDBEQSWGN-DGCLKSJQSA-N 2 2 286.872 3.408 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000665295554 419108487 /nfs/dbraw/zinc/10/84/87/419108487.db2.gz FVUVIKSKSPHPSE-BLLLJJGKSA-N 2 2 260.381 3.327 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH2+]C ZINC000665295767 419108592 /nfs/dbraw/zinc/10/85/92/419108592.db2.gz ISSBMGDBEQSWGN-AAEUAGOBSA-N 2 2 286.872 3.408 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000665295863 419108646 /nfs/dbraw/zinc/10/86/46/419108646.db2.gz KTBBFOSYTDHPAE-MAUKXSAKSA-N 2 2 268.404 3.168 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000665296556 419109131 /nfs/dbraw/zinc/10/91/31/419109131.db2.gz UPZVTPGUXJDSIG-GBIKHYSHSA-N 2 2 297.240 3.195 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000665296823 419110703 /nfs/dbraw/zinc/11/07/03/419110703.db2.gz YIQDCIMMSQXDFM-IAQYHMDHSA-N 2 2 250.386 3.017 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000655842250 419115487 /nfs/dbraw/zinc/11/54/87/419115487.db2.gz GDISONKKYVLBCJ-CQSZACIVSA-N 2 2 289.423 3.184 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848252 419118299 /nfs/dbraw/zinc/11/82/99/419118299.db2.gz CGFBBDIFODSNSS-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848252 419118302 /nfs/dbraw/zinc/11/83/02/419118302.db2.gz CGFBBDIFODSNSS-VNQPRFMTSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C ZINC000655851036 419120966 /nfs/dbraw/zinc/12/09/66/419120966.db2.gz OOJIMZFDGMLMFE-IBEHDNSVSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C ZINC000655851036 419120969 /nfs/dbraw/zinc/12/09/69/419120969.db2.gz OOJIMZFDGMLMFE-IBEHDNSVSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849761 419121139 /nfs/dbraw/zinc/12/11/39/419121139.db2.gz PXABSRLAPLACFI-UGUYLWEFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849761 419121143 /nfs/dbraw/zinc/12/11/43/419121143.db2.gz PXABSRLAPLACFI-UGUYLWEFSA-N 2 2 250.430 3.172 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655858504 419125368 /nfs/dbraw/zinc/12/53/68/419125368.db2.gz YVMKALVDTPQVRV-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655858504 419125372 /nfs/dbraw/zinc/12/53/72/419125372.db2.gz YVMKALVDTPQVRV-ROUUACIJSA-N 2 2 283.419 3.274 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nsc3ccccc32)CC[N@@H+]1C ZINC000659983685 419052926 /nfs/dbraw/zinc/05/29/26/419052926.db2.gz SISIUKLLRSWXGI-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2nsc3ccccc32)CC[N@H+]1C ZINC000659983685 419052930 /nfs/dbraw/zinc/05/29/30/419052930.db2.gz SISIUKLLRSWXGI-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983685 419052933 /nfs/dbraw/zinc/05/29/33/419052933.db2.gz SISIUKLLRSWXGI-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2nsc3ccccc32)CC[NH+]1C ZINC000659983685 419052937 /nfs/dbraw/zinc/05/29/37/419052937.db2.gz SISIUKLLRSWXGI-STQMWFEESA-N 2 2 289.448 3.211 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000653591563 419056247 /nfs/dbraw/zinc/05/62/47/419056247.db2.gz OBFAOSMETQMDDI-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000653591563 419056249 /nfs/dbraw/zinc/05/62/49/419056249.db2.gz OBFAOSMETQMDDI-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2Cl)C1 ZINC000659989633 419057471 /nfs/dbraw/zinc/05/74/71/419057471.db2.gz PXIYTKGVJMMUJS-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2Cl)C1 ZINC000659989633 419057474 /nfs/dbraw/zinc/05/74/74/419057474.db2.gz PXIYTKGVJMMUJS-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659989633 419057478 /nfs/dbraw/zinc/05/74/78/419057478.db2.gz PXIYTKGVJMMUJS-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2Cl)C1 ZINC000659989633 419057480 /nfs/dbraw/zinc/05/74/80/419057480.db2.gz PXIYTKGVJMMUJS-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655725001 419078986 /nfs/dbraw/zinc/07/89/86/419078986.db2.gz KGCLHDRFWFFZLR-GOSISDBHSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1c[nH+]c(CCNc2cc(C)[nH+]c(C3CC3)n2)c(C)c1 ZINC000656211193 419150601 /nfs/dbraw/zinc/15/06/01/419150601.db2.gz TVUJHNUHACKYQC-UHFFFAOYSA-N 2 2 282.391 3.329 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661272 419178430 /nfs/dbraw/zinc/17/84/30/419178430.db2.gz CACKPEQTXFJPPL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660661272 419178432 /nfs/dbraw/zinc/17/84/32/419178432.db2.gz CACKPEQTXFJPPL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661272 419178434 /nfs/dbraw/zinc/17/84/34/419178434.db2.gz CACKPEQTXFJPPL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660661272 419178438 /nfs/dbraw/zinc/17/84/38/419178438.db2.gz CACKPEQTXFJPPL-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1sccc1Cl)C2 ZINC000660661672 419180359 /nfs/dbraw/zinc/18/03/59/419180359.db2.gz DYHRKAVCGSNJCE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1sccc1Cl)C2 ZINC000660661672 419180360 /nfs/dbraw/zinc/18/03/60/419180360.db2.gz DYHRKAVCGSNJCE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1sccc1Cl)C2 ZINC000660661672 419180363 /nfs/dbraw/zinc/18/03/63/419180363.db2.gz DYHRKAVCGSNJCE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1sccc1Cl)C2 ZINC000660661672 419180365 /nfs/dbraw/zinc/18/03/65/419180365.db2.gz DYHRKAVCGSNJCE-AWEZNQCLSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000655936930 419127225 /nfs/dbraw/zinc/12/72/25/419127225.db2.gz QBRNGPHVKKBKHQ-UHFFFAOYSA-N 2 2 278.827 3.365 20 0 CGADLP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000655936930 419127227 /nfs/dbraw/zinc/12/72/27/419127227.db2.gz QBRNGPHVKKBKHQ-UHFFFAOYSA-N 2 2 278.827 3.365 20 0 CGADLP CCc1cccc2cc(C[NH2+]C3CC[NH+](C)CC3)oc21 ZINC000657294018 419244412 /nfs/dbraw/zinc/24/44/12/419244412.db2.gz AETUQDPJIPGWQK-UHFFFAOYSA-N 2 2 272.392 3.179 20 0 CGADLP Cc1ccc(SCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657294388 419244608 /nfs/dbraw/zinc/24/46/08/419244608.db2.gz PSGUQVRYIZDAIK-UHFFFAOYSA-N 2 2 287.432 3.020 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc21 ZINC000657334160 419252611 /nfs/dbraw/zinc/25/26/11/419252611.db2.gz OHXGSSGLHJSQEG-ZDUSSCGKSA-N 2 2 282.391 3.099 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]Cc1cc3c(s1)CCCC3)CCC2 ZINC000657334273 419252867 /nfs/dbraw/zinc/25/28/67/419252867.db2.gz SVGGDYCLMLJQDH-UHFFFAOYSA-N 2 2 287.432 3.059 20 0 CGADLP CCc1cccc2c1OCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350688 419257346 /nfs/dbraw/zinc/25/73/46/419257346.db2.gz XCPFXOXQXSBTJN-MRXNPFEDSA-N 2 2 297.402 3.005 20 0 CGADLP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657354112 419258519 /nfs/dbraw/zinc/25/85/19/419258519.db2.gz PTKLYMZSEYGZFP-KBPBESRZSA-N 2 2 261.413 3.134 20 0 CGADLP COc1ccc([C@@H](C)CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657375534 419263356 /nfs/dbraw/zinc/26/33/56/419263356.db2.gz HUZWXUXJERZDJV-AWEZNQCLSA-N 2 2 299.418 3.121 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000656676088 419198441 /nfs/dbraw/zinc/19/84/41/419198441.db2.gz MDXXHAKBPJBBSQ-GDBMZVCRSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000656676088 419198442 /nfs/dbraw/zinc/19/84/42/419198442.db2.gz MDXXHAKBPJBBSQ-GDBMZVCRSA-N 2 2 276.399 3.275 20 0 CGADLP CCCCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000656783306 419218480 /nfs/dbraw/zinc/21/84/80/419218480.db2.gz OTMKIDCPKYQVAL-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP CCCCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000656783306 419218481 /nfs/dbraw/zinc/21/84/81/419218481.db2.gz OTMKIDCPKYQVAL-UHFFFAOYSA-N 2 2 264.413 3.035 20 0 CGADLP C[N@H+](Cc1cccc(OCc2ccccc2)c1)CC(C)(C)[NH3+] ZINC000656783821 419218542 /nfs/dbraw/zinc/21/85/42/419218542.db2.gz UZNGNWVGIUKNAZ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP C[N@@H+](Cc1cccc(OCc2ccccc2)c1)CC(C)(C)[NH3+] ZINC000656783821 419218545 /nfs/dbraw/zinc/21/85/45/419218545.db2.gz UZNGNWVGIUKNAZ-UHFFFAOYSA-N 2 2 298.430 3.435 20 0 CGADLP C[N@H+](Cc1cccc(C2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000656786450 419219932 /nfs/dbraw/zinc/21/99/32/419219932.db2.gz MPQYYBRRTFJLLN-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@@H+](Cc1cccc(C2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000656786450 419219937 /nfs/dbraw/zinc/21/99/37/419219937.db2.gz MPQYYBRRTFJLLN-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000656789037 419220418 /nfs/dbraw/zinc/22/04/18/419220418.db2.gz OAOKCUAUSMBYJU-IAGOWNOFSA-N 2 2 286.444 3.292 20 0 CGADLP Fc1ccc(C2CC2)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657477254 419288165 /nfs/dbraw/zinc/28/81/65/419288165.db2.gz JWEFWIDRRSIQHY-UHFFFAOYSA-N 2 2 285.366 3.136 20 0 CGADLP Cc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CC2)c(C)c1 ZINC000657477934 419288185 /nfs/dbraw/zinc/28/81/85/419288185.db2.gz UTUQAUPIUBGYAV-UHFFFAOYSA-N 2 2 295.430 3.268 20 0 CGADLP CC(C)CCc1ccc(NCc2c[nH+]c3n2CCC3)[nH+]c1 ZINC000657485526 419291130 /nfs/dbraw/zinc/29/11/30/419291130.db2.gz MGNDZIGWFCBFBD-UHFFFAOYSA-N 2 2 284.407 3.425 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C2CCC2)C2CCCC2)n1C ZINC000657498445 419294280 /nfs/dbraw/zinc/29/42/80/419294280.db2.gz HGWJCKBRCOXJAT-MRXNPFEDSA-N 2 2 261.413 3.177 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2(c3ccccc3Cl)CC2)n1C ZINC000657498450 419294807 /nfs/dbraw/zinc/29/48/07/419294807.db2.gz SIWIINHSFVWYJZ-UHFFFAOYSA-N 2 2 275.783 3.161 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)n1-c1ccccc1 ZINC000657667781 419323895 /nfs/dbraw/zinc/32/38/95/419323895.db2.gz RONJADJDSUQGDQ-KSSFIOAISA-N 2 2 299.418 3.228 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000657667318 419324463 /nfs/dbraw/zinc/32/44/63/419324463.db2.gz ZYUSXNMGMNAYHP-FVQBIDKESA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000657667318 419324466 /nfs/dbraw/zinc/32/44/66/419324466.db2.gz ZYUSXNMGMNAYHP-FVQBIDKESA-N 2 2 294.389 3.142 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)nc1 ZINC000657656768 419319920 /nfs/dbraw/zinc/31/99/20/419319920.db2.gz KUBQZEGSQTTWDF-TXPKVOOTSA-N 2 2 299.462 3.072 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000657742105 419336172 /nfs/dbraw/zinc/33/61/72/419336172.db2.gz NAIPPAJOWZTYFE-KSVUCXBSSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000657742105 419336174 /nfs/dbraw/zinc/33/61/74/419336174.db2.gz NAIPPAJOWZTYFE-KSVUCXBSSA-N 2 2 258.409 3.164 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCn1cc[nH+]c1 ZINC000657817341 419368312 /nfs/dbraw/zinc/36/83/12/419368312.db2.gz NTNFNWFSCGRVBM-INIZCTEOSA-N 2 2 297.446 3.373 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657835117 419379345 /nfs/dbraw/zinc/37/93/45/419379345.db2.gz SOOFTHORMTVGFQ-VXGBXAGGSA-N 2 2 286.404 3.232 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657836328 419381765 /nfs/dbraw/zinc/38/17/65/419381765.db2.gz KMCWNKWSKSMKLK-NEPJUHHUSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)(C)C(F)F ZINC000657836328 419381767 /nfs/dbraw/zinc/38/17/67/419381767.db2.gz KMCWNKWSKSMKLK-NEPJUHHUSA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662274700 419382603 /nfs/dbraw/zinc/38/26/03/419382603.db2.gz KRYZSAOAKSPFEI-HZSPNIEDSA-N 2 2 274.399 3.274 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662274700 419382607 /nfs/dbraw/zinc/38/26/07/419382607.db2.gz KRYZSAOAKSPFEI-HZSPNIEDSA-N 2 2 274.399 3.274 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657841596 419382829 /nfs/dbraw/zinc/38/28/29/419382829.db2.gz HPEMTDCBVPSMOR-DLBZAZTESA-N 2 2 292.492 3.035 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055107 419523777 /nfs/dbraw/zinc/52/37/77/419523777.db2.gz LYQUFASOISIRRC-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055107 419523786 /nfs/dbraw/zinc/52/37/86/419523786.db2.gz LYQUFASOISIRRC-GOEBONIOSA-N 2 2 290.451 3.089 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658056778 419525138 /nfs/dbraw/zinc/52/51/38/419525138.db2.gz LYENHHMFJXDSTD-GOEBONIOSA-N 2 2 276.399 3.275 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000658056778 419525142 /nfs/dbraw/zinc/52/51/42/419525142.db2.gz LYENHHMFJXDSTD-GOEBONIOSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058139 419529781 /nfs/dbraw/zinc/52/97/81/419529781.db2.gz DBEZFPJWLMSCES-QWRGUYRKSA-N 2 2 262.388 3.129 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C(F)F ZINC000658058139 419529790 /nfs/dbraw/zinc/52/97/90/419529790.db2.gz DBEZFPJWLMSCES-QWRGUYRKSA-N 2 2 262.388 3.129 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000658059364 419530824 /nfs/dbraw/zinc/53/08/24/419530824.db2.gz HZERIMGRXXQTLG-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000658059364 419530826 /nfs/dbraw/zinc/53/08/26/419530826.db2.gz HZERIMGRXXQTLG-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063464 419536268 /nfs/dbraw/zinc/53/62/68/419536268.db2.gz VREWVUNMURIZOV-UKRRQHHQSA-N 2 2 292.471 3.296 20 0 CGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cnn1C(C)C ZINC000658063464 419536277 /nfs/dbraw/zinc/53/62/77/419536277.db2.gz VREWVUNMURIZOV-UKRRQHHQSA-N 2 2 292.471 3.296 20 0 CGADLP CC[NH+](CC)CCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663312742 419547812 /nfs/dbraw/zinc/54/78/12/419547812.db2.gz HHRLDLHOGIPQBN-UHFFFAOYSA-N 2 2 275.318 3.163 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094097 419568589 /nfs/dbraw/zinc/56/85/89/419568589.db2.gz XNJJJYYBLWILMU-DOTOQJQBSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094097 419568597 /nfs/dbraw/zinc/56/85/97/419568597.db2.gz XNJJJYYBLWILMU-DOTOQJQBSA-N 2 2 274.452 3.470 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000663508394 419640927 /nfs/dbraw/zinc/64/09/27/419640927.db2.gz PEEOEZLOCDEUJC-OAHLLOKOSA-N 2 2 268.404 3.360 20 0 CGADLP CCN(CC)c1ccc(CNc2[nH+]ccc3[nH]ccc32)c[nH+]1 ZINC000663390921 419586369 /nfs/dbraw/zinc/58/63/69/419586369.db2.gz CHRUCAIEJISLPY-UHFFFAOYSA-N 2 2 295.390 3.416 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000663508106 419640125 /nfs/dbraw/zinc/64/01/25/419640125.db2.gz IXVQZASQOHHTTA-LLVKDONJSA-N 2 2 278.396 3.252 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000663508098 419640373 /nfs/dbraw/zinc/64/03/73/419640373.db2.gz ISKDIXMFCFKCQK-GFCCVEGCSA-N 2 2 260.406 3.113 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000658286765 419732324 /nfs/dbraw/zinc/73/23/24/419732324.db2.gz USHVJKFRKOVEFV-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000658286765 419732332 /nfs/dbraw/zinc/73/23/32/419732332.db2.gz USHVJKFRKOVEFV-TZMCWYRMSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000658286198 419733157 /nfs/dbraw/zinc/73/31/57/419733157.db2.gz QCGMRQCLUXITPH-LEUOFYLZSA-N 2 2 272.436 3.253 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000658286198 419733165 /nfs/dbraw/zinc/73/31/65/419733165.db2.gz QCGMRQCLUXITPH-LEUOFYLZSA-N 2 2 272.436 3.253 20 0 CGADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658295372 419744966 /nfs/dbraw/zinc/74/49/66/419744966.db2.gz MFRXSMIPZLCUKT-ROUUACIJSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263740 419718426 /nfs/dbraw/zinc/71/84/26/419718426.db2.gz LVMCXOVPYORODH-BNEJOLLZSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000658263740 419718437 /nfs/dbraw/zinc/71/84/37/419718437.db2.gz LVMCXOVPYORODH-BNEJOLLZSA-N 2 2 270.420 3.005 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+]3C[C@H](C)OC[C@@H]3C)c2c1 ZINC000664241945 419865595 /nfs/dbraw/zinc/86/55/95/419865595.db2.gz KJQNDLYRCFWFKA-GJZGRUSLSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+]3C[C@H](C)OC[C@@H]3C)c2c1 ZINC000664241945 419865601 /nfs/dbraw/zinc/86/56/01/419865601.db2.gz KJQNDLYRCFWFKA-GJZGRUSLSA-N 2 2 299.418 3.064 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000179393468 260046143 /nfs/dbraw/zinc/04/61/43/260046143.db2.gz GTKANSUIIUXQBT-HOCLYGCPSA-N 2 2 258.409 3.229 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCCCCC2)Cc2ccccc2C1 ZINC000521381008 260091458 /nfs/dbraw/zinc/09/14/58/260091458.db2.gz GTSULANROFSDQE-UHFFFAOYSA-N 2 2 286.463 3.398 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035259013 270027525 /nfs/dbraw/zinc/02/75/25/270027525.db2.gz XWWOWHPXUPTFPF-YJBOKZPZSA-N 2 2 272.436 3.008 20 0 CGADLP CC[NH+]1CCC(Nc2ccc([NH+]3CCCC3)cc2C)CC1 ZINC000036955680 270028287 /nfs/dbraw/zinc/02/82/87/270028287.db2.gz GIUXFNMJHRHUNR-UHFFFAOYSA-N 2 2 287.451 3.491 20 0 CGADLP COc1ccccc1C[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767869 270030265 /nfs/dbraw/zinc/03/02/65/270030265.db2.gz UXYZCAQDGQHZHC-INIZCTEOSA-N 2 2 290.451 3.092 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc2ccccc21 ZINC000041064057 270030464 /nfs/dbraw/zinc/03/04/64/270030464.db2.gz BRLPCXSRMIBPTJ-AWEZNQCLSA-N 2 2 265.360 3.387 20 0 CGADLP Fc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1 ZINC000041063694 270030581 /nfs/dbraw/zinc/03/05/81/270030581.db2.gz BAESKUSJOQEPQI-UHFFFAOYSA-N 2 2 285.322 3.072 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685535 270037373 /nfs/dbraw/zinc/03/73/73/270037373.db2.gz PLBCLQGGRRNKHE-RDTXWAMCSA-N 2 2 284.447 3.453 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000044685535 270037374 /nfs/dbraw/zinc/03/73/74/270037374.db2.gz PLBCLQGGRRNKHE-RDTXWAMCSA-N 2 2 284.447 3.453 20 0 CGADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[NH+](C)C ZINC000183043394 270055035 /nfs/dbraw/zinc/05/50/35/270055035.db2.gz LAQDKEQCNKIMRH-UHFFFAOYSA-N 2 2 298.430 3.404 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1[NH3+] ZINC000519155808 265334867 /nfs/dbraw/zinc/33/48/67/265334867.db2.gz RPANJKQBCKEDRT-IAQYHMDHSA-N 2 2 290.794 3.379 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1[NH3+] ZINC000519155808 265334868 /nfs/dbraw/zinc/33/48/68/265334868.db2.gz RPANJKQBCKEDRT-IAQYHMDHSA-N 2 2 290.794 3.379 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186880417 270067478 /nfs/dbraw/zinc/06/74/78/270067478.db2.gz REKVSHACDWNSEY-RHSMWYFYSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186880417 270067479 /nfs/dbraw/zinc/06/74/79/270067479.db2.gz REKVSHACDWNSEY-RHSMWYFYSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000190946482 270074317 /nfs/dbraw/zinc/07/43/17/270074317.db2.gz MHMNEMZQARRGFI-CQSZACIVSA-N 2 2 298.352 3.340 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000190946482 270074318 /nfs/dbraw/zinc/07/43/18/270074318.db2.gz MHMNEMZQARRGFI-CQSZACIVSA-N 2 2 298.352 3.340 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000218955383 270085454 /nfs/dbraw/zinc/08/54/54/270085454.db2.gz LAIKXTXVJIDIRB-NEPJUHHUSA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000218955383 270085455 /nfs/dbraw/zinc/08/54/55/270085455.db2.gz LAIKXTXVJIDIRB-NEPJUHHUSA-N 2 2 278.362 3.181 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)[C@@H]1C[C@@H]1C ZINC000322037003 270093252 /nfs/dbraw/zinc/09/32/52/270093252.db2.gz NFIIPUCCKKYVSV-CFVMTHIKSA-N 2 2 271.408 3.369 20 0 CGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000322432246 270093718 /nfs/dbraw/zinc/09/37/18/270093718.db2.gz CGGBGUGZABPUJF-INIZCTEOSA-N 2 2 273.424 3.219 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000521204830 270100925 /nfs/dbraw/zinc/10/09/25/270100925.db2.gz XSEAXNFBBMXIOS-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000521204830 270100926 /nfs/dbraw/zinc/10/09/26/270100926.db2.gz XSEAXNFBBMXIOS-SFHVURJKSA-N 2 2 297.446 3.226 20 0 CGADLP Cc1ccc(CCC[NH2+][C@H](C)c2cnn(C(C)C)c2)c[nH+]1 ZINC000525985550 270121695 /nfs/dbraw/zinc/12/16/95/270121695.db2.gz BNTPVMPSQKYNIJ-OAHLLOKOSA-N 2 2 286.423 3.451 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527750565 270134393 /nfs/dbraw/zinc/13/43/93/270134393.db2.gz ACTOIZOIVHAFBY-NJAFHUGGSA-N 2 2 294.483 3.187 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527750565 270134394 /nfs/dbraw/zinc/13/43/94/270134394.db2.gz ACTOIZOIVHAFBY-NJAFHUGGSA-N 2 2 294.483 3.187 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527752032 270134516 /nfs/dbraw/zinc/13/45/16/270134516.db2.gz LGTSCRJFOZFAEQ-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527752032 270134517 /nfs/dbraw/zinc/13/45/17/270134517.db2.gz LGTSCRJFOZFAEQ-KRWDZBQOSA-N 2 2 288.435 3.192 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527806913 270137219 /nfs/dbraw/zinc/13/72/19/270137219.db2.gz GGSDHNLYOCAHDX-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527806913 270137220 /nfs/dbraw/zinc/13/72/20/270137220.db2.gz GGSDHNLYOCAHDX-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527807673 270137476 /nfs/dbraw/zinc/13/74/76/270137476.db2.gz HRBVMSIIKBLUEA-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527807673 270137477 /nfs/dbraw/zinc/13/74/77/270137477.db2.gz HRBVMSIIKBLUEA-KDOFPFPSSA-N 2 2 290.426 3.363 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527864611 270140608 /nfs/dbraw/zinc/14/06/08/270140608.db2.gz LIOUXPUIIHXZKE-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527864611 270140609 /nfs/dbraw/zinc/14/06/09/270140609.db2.gz LIOUXPUIIHXZKE-RBSFLKMASA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527868816 270140990 /nfs/dbraw/zinc/14/09/90/270140990.db2.gz LQUXYCOYOWEPHI-CYGHRXIMSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527868816 270140991 /nfs/dbraw/zinc/14/09/91/270140991.db2.gz LQUXYCOYOWEPHI-CYGHRXIMSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527850863 270139726 /nfs/dbraw/zinc/13/97/26/270139726.db2.gz LPSDDFBCUAANTG-ZFWWWQNUSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CC12CC2 ZINC000527857173 270140028 /nfs/dbraw/zinc/14/00/28/270140028.db2.gz GPKSAQLEQQCNCD-MJBXVCDLSA-N 2 2 287.451 3.274 20 0 CGADLP c1ccc2c(c1)CC([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C2 ZINC000527944879 270146263 /nfs/dbraw/zinc/14/62/63/270146263.db2.gz DLFGOIGNQTUBRO-IBGZPJMESA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C2 ZINC000527944879 270146264 /nfs/dbraw/zinc/14/62/64/270146264.db2.gz DLFGOIGNQTUBRO-IBGZPJMESA-N 2 2 284.447 3.150 20 0 CGADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951963 270146443 /nfs/dbraw/zinc/14/64/43/270146443.db2.gz SEYFQPFAZWFLCU-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951963 270146444 /nfs/dbraw/zinc/14/64/44/270146444.db2.gz SEYFQPFAZWFLCU-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002177 270150039 /nfs/dbraw/zinc/15/00/39/270150039.db2.gz PHJVFTZNKWLIMM-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002177 270150040 /nfs/dbraw/zinc/15/00/40/270150040.db2.gz PHJVFTZNKWLIMM-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014317 270151646 /nfs/dbraw/zinc/15/16/46/270151646.db2.gz UOLIJTXHNLYEOB-KDOFPFPSSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014317 270151647 /nfs/dbraw/zinc/15/16/47/270151647.db2.gz UOLIJTXHNLYEOB-KDOFPFPSSA-N 2 2 288.410 3.420 20 0 CGADLP C/C(Cl)=C\C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000528479689 270166278 /nfs/dbraw/zinc/16/62/78/270166278.db2.gz CCAPOSZVMVTEOU-YIXHJXPBSA-N 2 2 280.799 3.376 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558710 270184746 /nfs/dbraw/zinc/18/47/46/270184746.db2.gz SECXUCLMYPQUHM-DGCLKSJQSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558710 270184747 /nfs/dbraw/zinc/18/47/47/270184747.db2.gz SECXUCLMYPQUHM-DGCLKSJQSA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000529668181 270187479 /nfs/dbraw/zinc/18/74/79/270187479.db2.gz DSHFNZBLQZEHMT-QAPCUYQASA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000529668181 270187480 /nfs/dbraw/zinc/18/74/80/270187480.db2.gz DSHFNZBLQZEHMT-QAPCUYQASA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc2c(s1)CCC2 ZINC000530216608 270195853 /nfs/dbraw/zinc/19/58/53/270195853.db2.gz CICJCMILYBVANL-NHYWBVRUSA-N 2 2 276.449 3.172 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217852 270196029 /nfs/dbraw/zinc/19/60/29/270196029.db2.gz HRQQAIFSRAUVDS-RHSMWYFYSA-N 2 2 288.435 3.411 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1C(F)(F)F ZINC000530245405 270197272 /nfs/dbraw/zinc/19/72/72/270197272.db2.gz XKQCDIJXUZXORC-CQSZACIVSA-N 2 2 298.352 3.388 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1C(F)(F)F ZINC000530245404 270197330 /nfs/dbraw/zinc/19/73/30/270197330.db2.gz XKQCDIJXUZXORC-AWEZNQCLSA-N 2 2 298.352 3.388 20 0 CGADLP CC(C)(C[NH2+][C@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000531677691 270208576 /nfs/dbraw/zinc/20/85/76/270208576.db2.gz LZNVGHFLWFHLGI-AWEZNQCLSA-N 2 2 282.472 3.187 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945260 270211094 /nfs/dbraw/zinc/21/10/94/270211094.db2.gz QDFWHGVXPJZSOC-WBVHZDCISA-N 2 2 272.436 3.038 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945260 270211095 /nfs/dbraw/zinc/21/10/95/270211095.db2.gz QDFWHGVXPJZSOC-WBVHZDCISA-N 2 2 272.436 3.038 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000531950306 270211452 /nfs/dbraw/zinc/21/14/52/270211452.db2.gz HQHIJICCRXGLAN-SPUZQDLCSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000531950306 270211453 /nfs/dbraw/zinc/21/14/53/270211453.db2.gz HQHIJICCRXGLAN-SPUZQDLCSA-N 2 2 272.436 3.253 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000531979369 270211974 /nfs/dbraw/zinc/21/19/74/270211974.db2.gz FJBCRRIYQLDRNR-WMLDXEAASA-N 2 2 274.452 3.066 20 0 CGADLP CCc1ccc(C(C)(C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000531979369 270211975 /nfs/dbraw/zinc/21/19/75/270211975.db2.gz FJBCRRIYQLDRNR-WMLDXEAASA-N 2 2 274.452 3.066 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000531992235 270212569 /nfs/dbraw/zinc/21/25/69/270212569.db2.gz FWMMKAGJFUVVPU-JKIFEVAISA-N 2 2 288.435 3.137 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000531992235 270212570 /nfs/dbraw/zinc/21/25/70/270212570.db2.gz FWMMKAGJFUVVPU-JKIFEVAISA-N 2 2 288.435 3.137 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCC2 ZINC000533166819 270221974 /nfs/dbraw/zinc/22/19/74/270221974.db2.gz DVBAICQOZRNVSA-CRAIPNDOSA-N 2 2 272.436 3.304 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCC2 ZINC000533166819 270221975 /nfs/dbraw/zinc/22/19/75/270221975.db2.gz DVBAICQOZRNVSA-CRAIPNDOSA-N 2 2 272.436 3.304 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335356713 273807210 /nfs/dbraw/zinc/80/72/10/273807210.db2.gz ISLDMLZSGKWFSJ-OAHLLOKOSA-N 2 2 287.382 3.294 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414957433 274418927 /nfs/dbraw/zinc/41/89/27/274418927.db2.gz QYXBWZVXJPCFKL-ZANVPECISA-N 2 2 290.304 3.075 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427875770 274882528 /nfs/dbraw/zinc/88/25/28/274882528.db2.gz UJPKSHRPVSYSBF-UKRRQHHQSA-N 2 2 287.794 3.128 20 0 CGADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000513545759 275399592 /nfs/dbraw/zinc/39/95/92/275399592.db2.gz SKHUQQIATKTCSI-CNELAYHGSA-N 2 2 266.816 3.283 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428402817 275738254 /nfs/dbraw/zinc/73/82/54/275738254.db2.gz IXTAULBWMXKXTN-KRWDZBQOSA-N 2 2 283.419 3.154 20 0 CGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCSC2)cc1 ZINC000414853233 275746793 /nfs/dbraw/zinc/74/67/93/275746793.db2.gz XGHILHGZLMDZOI-CVEARBPZSA-N 2 2 278.465 3.295 20 0 CGADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000352850498 275921639 /nfs/dbraw/zinc/92/16/39/275921639.db2.gz XTVCCJFOPVFAIA-IMJJTQAJSA-N 2 2 282.497 3.006 20 0 CGADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000427575641 275983875 /nfs/dbraw/zinc/98/38/75/275983875.db2.gz WFFFVVMCJNACEP-MRXNPFEDSA-N 2 2 262.441 3.184 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000346970726 276015534 /nfs/dbraw/zinc/01/55/34/276015534.db2.gz FZDDFIYFIVUGQW-LBPRGKRZSA-N 2 2 266.351 3.039 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991945 276186863 /nfs/dbraw/zinc/18/68/63/276186863.db2.gz BZYWWRJZRAQTTF-KRWDZBQOSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000034991945 276186864 /nfs/dbraw/zinc/18/68/64/276186864.db2.gz BZYWWRJZRAQTTF-KRWDZBQOSA-N 2 2 260.425 3.186 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355529823 276253746 /nfs/dbraw/zinc/25/37/46/276253746.db2.gz ILCYVJILSBUGCD-ZLIFDBKOSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)[C@@H](C)C1 ZINC000355529823 276253748 /nfs/dbraw/zinc/25/37/48/276253748.db2.gz ILCYVJILSBUGCD-ZLIFDBKOSA-N 2 2 276.399 3.133 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000423235822 276266849 /nfs/dbraw/zinc/26/68/49/276266849.db2.gz BJINKWKOBCHGRT-AWEZNQCLSA-N 2 2 264.438 3.039 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423233179 276266997 /nfs/dbraw/zinc/26/69/97/276266997.db2.gz JJSZYXUCMRLUAE-INIZCTEOSA-N 2 2 271.408 3.053 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423371912 276270535 /nfs/dbraw/zinc/27/05/35/276270535.db2.gz GAOFLQIIONXCFE-ZWNOBZJWSA-N 2 2 284.856 3.465 20 0 CGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000488445470 277261972 /nfs/dbraw/zinc/26/19/72/277261972.db2.gz YETHWTGMRNKZJT-HUUCEWRRSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000334322086 277275482 /nfs/dbraw/zinc/27/54/82/277275482.db2.gz IKVVDBFWVPWCPX-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000334322086 277275485 /nfs/dbraw/zinc/27/54/85/277275485.db2.gz IKVVDBFWVPWCPX-INIZCTEOSA-N 2 2 293.480 3.016 20 0 CGADLP C[NH2+][C@@H](C)C[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423400381 277293924 /nfs/dbraw/zinc/29/39/24/277293924.db2.gz VEFNPSRPIBNRAT-NHYWBVRUSA-N 2 2 266.816 3.379 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000378010124 287992906 /nfs/dbraw/zinc/99/29/06/287992906.db2.gz SULCBTBVXKNYMV-HOCLYGCPSA-N 2 2 299.418 3.428 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417360934 277942439 /nfs/dbraw/zinc/94/24/39/277942439.db2.gz XUAHJLBIMGIHMB-INIZCTEOSA-N 2 2 288.435 3.101 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000397302127 288022673 /nfs/dbraw/zinc/02/26/73/288022673.db2.gz GLTDDQPEDCEVNI-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000397302127 288022674 /nfs/dbraw/zinc/02/26/74/288022674.db2.gz GLTDDQPEDCEVNI-FRRDWIJNSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000038040564 278254826 /nfs/dbraw/zinc/25/48/26/278254826.db2.gz TZVCLSLHKXXLNH-VIFPVBQESA-N 2 2 273.207 3.396 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccs1 ZINC000093398464 278258348 /nfs/dbraw/zinc/25/83/48/278258348.db2.gz YGEUMPYBHZIGLF-MCIONIFRSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000446977247 278261520 /nfs/dbraw/zinc/26/15/20/278261520.db2.gz MKXWPBHBEYGZBT-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000446977247 278261524 /nfs/dbraw/zinc/26/15/24/278261524.db2.gz MKXWPBHBEYGZBT-YOEHRIQHSA-N 2 2 258.409 3.354 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000474724136 278282696 /nfs/dbraw/zinc/28/26/96/278282696.db2.gz ASKZRHISWYVWHA-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H](C)C1CCCCC1 ZINC000474724136 278282697 /nfs/dbraw/zinc/28/26/97/278282697.db2.gz ASKZRHISWYVWHA-YCPHGPKFSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398006753 288037164 /nfs/dbraw/zinc/03/71/64/288037164.db2.gz WFZFJQUVJRIETA-MRXNPFEDSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000462725219 278348162 /nfs/dbraw/zinc/34/81/62/278348162.db2.gz ARVIKKVXSRZQFR-MAUKXSAKSA-N 2 2 286.463 3.254 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)[C@H]1CCOC1 ZINC000423246142 288048190 /nfs/dbraw/zinc/04/81/90/288048190.db2.gz PMAZKKXJMRJJQW-BZSNNMDCSA-N 2 2 290.451 3.215 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)CC1 ZINC000368584931 278805521 /nfs/dbraw/zinc/80/55/21/278805521.db2.gz OVBOCACRSTWLBS-YVEFUNNKSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000422791187 279003302 /nfs/dbraw/zinc/00/33/02/279003302.db2.gz VPQHNDLHTFZOFY-HUUCEWRRSA-N 2 2 266.816 3.379 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000488366489 279007083 /nfs/dbraw/zinc/00/70/83/279007083.db2.gz LLWUOGKUWKAMPT-HYVNUMGLSA-N 2 2 258.409 3.069 20 0 CGADLP CC(C)C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450786133 279102662 /nfs/dbraw/zinc/10/26/62/279102662.db2.gz CUSKWRUSCSJETL-SZMVWBNQSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450786133 279102664 /nfs/dbraw/zinc/10/26/64/279102664.db2.gz CUSKWRUSCSJETL-SZMVWBNQSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450786133 279102666 /nfs/dbraw/zinc/10/26/66/279102666.db2.gz CUSKWRUSCSJETL-SZMVWBNQSA-N 2 2 289.467 3.441 20 0 CGADLP CC(C)C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450786133 279102668 /nfs/dbraw/zinc/10/26/68/279102668.db2.gz CUSKWRUSCSJETL-SZMVWBNQSA-N 2 2 289.467 3.441 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](COC)C1CC1)c1ccccc1 ZINC000128109760 279165516 /nfs/dbraw/zinc/16/55/16/279165516.db2.gz PNNZYABYWZYXFZ-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000359590424 279315423 /nfs/dbraw/zinc/31/54/23/279315423.db2.gz KNTLXCQLCKTSET-SRCQZFHVSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000359590424 279315424 /nfs/dbraw/zinc/31/54/24/279315424.db2.gz KNTLXCQLCKTSET-SRCQZFHVSA-N 2 2 276.399 3.133 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353317295 279359719 /nfs/dbraw/zinc/35/97/19/279359719.db2.gz VVLXEGDSFKBRGV-LBPRGKRZSA-N 2 2 262.388 3.130 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353317295 279359722 /nfs/dbraw/zinc/35/97/22/279359722.db2.gz VVLXEGDSFKBRGV-LBPRGKRZSA-N 2 2 262.388 3.130 20 0 CGADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1C(C)C ZINC000527043061 288155967 /nfs/dbraw/zinc/15/59/67/288155967.db2.gz ITVIDPPWESGSMW-AWEZNQCLSA-N 2 2 289.427 3.100 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166331896 280025802 /nfs/dbraw/zinc/02/58/02/280025802.db2.gz BUWGOTSQMJSTNK-YEVSSTRJSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166331896 280025807 /nfs/dbraw/zinc/02/58/07/280025807.db2.gz BUWGOTSQMJSTNK-YEVSSTRJSA-N 2 2 288.410 3.274 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527852843 288198072 /nfs/dbraw/zinc/19/80/72/288198072.db2.gz RZBZKLLMHKGGBD-ZUZCIYMTSA-N 2 2 293.773 3.341 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353606941 280330213 /nfs/dbraw/zinc/33/02/13/280330213.db2.gz FPUKHSBITRQWNA-SFDCQRBFSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353606941 280330215 /nfs/dbraw/zinc/33/02/15/280330215.db2.gz FPUKHSBITRQWNA-SFDCQRBFSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[NH+]1CCC(C)CC1 ZINC000529539161 288260599 /nfs/dbraw/zinc/26/05/99/288260599.db2.gz TXAKCWQOBYJWDF-CHWSQXEVSA-N 2 2 274.399 3.130 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)o1 ZINC000424333676 280727546 /nfs/dbraw/zinc/72/75/46/280727546.db2.gz MHRQXZJIBHDAPB-CHWSQXEVSA-N 2 2 291.420 3.071 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000423483597 280882215 /nfs/dbraw/zinc/88/22/15/280882215.db2.gz XZXYPMJFMRJQDI-XJKSGUPXSA-N 2 2 276.424 3.351 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000336497283 280981219 /nfs/dbraw/zinc/98/12/19/280981219.db2.gz IMMQKIIOFDZNIU-GJZGRUSLSA-N 2 2 269.392 3.166 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527203 281271082 /nfs/dbraw/zinc/27/10/82/281271082.db2.gz LYODGQRMLOILGC-SLFFLAALSA-N 2 2 292.426 3.328 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CCC2 ZINC000350082094 281552803 /nfs/dbraw/zinc/55/28/03/281552803.db2.gz ULCWTFPRIAFTAJ-SNPRPXQTSA-N 2 2 261.413 3.237 20 0 CGADLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000531701175 288340824 /nfs/dbraw/zinc/34/08/24/288340824.db2.gz DRMCQKWCMKCILJ-SFHVURJKSA-N 2 2 287.451 3.070 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532203402 288355461 /nfs/dbraw/zinc/35/54/61/288355461.db2.gz SFJMKDJMXVAUQT-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532203402 288355463 /nfs/dbraw/zinc/35/54/63/288355463.db2.gz SFJMKDJMXVAUQT-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000532240313 288357801 /nfs/dbraw/zinc/35/78/01/288357801.db2.gz KPBUKXPXOWRDOK-OLMNPRSZSA-N 2 2 290.426 3.393 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000532240313 288357804 /nfs/dbraw/zinc/35/78/04/288357804.db2.gz KPBUKXPXOWRDOK-OLMNPRSZSA-N 2 2 290.426 3.393 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473191 288363680 /nfs/dbraw/zinc/36/36/80/288363680.db2.gz XBWWANHOSUSDOQ-PBHICJAKSA-N 2 2 288.435 3.048 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000532473191 288363682 /nfs/dbraw/zinc/36/36/82/288363682.db2.gz XBWWANHOSUSDOQ-PBHICJAKSA-N 2 2 288.435 3.048 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548424892 289004806 /nfs/dbraw/zinc/00/48/06/289004806.db2.gz GAVLMZYQBUQWSF-KBPBESRZSA-N 2 2 255.365 3.163 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC13CCCC3)CCCC2 ZINC000551175280 289100763 /nfs/dbraw/zinc/10/07/63/289100763.db2.gz KKYYLYHORYCAII-HNNXBMFYSA-N 2 2 273.424 3.422 20 0 CGADLP Cc1ccsc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551816669 289135289 /nfs/dbraw/zinc/13/52/89/289135289.db2.gz CVSLTULIGUXFLJ-LBPRGKRZSA-N 2 2 275.421 3.440 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc3occc3c2)c[nH+]1 ZINC000552162109 289169743 /nfs/dbraw/zinc/16/97/43/289169743.db2.gz DCZXNCOGVDASDI-UHFFFAOYSA-N 2 2 269.348 3.199 20 0 CGADLP FC(F)[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000552212075 289172254 /nfs/dbraw/zinc/17/22/54/289172254.db2.gz AJSQZGPMAXKQNP-VXGBXAGGSA-N 2 2 296.352 3.226 20 0 CGADLP FC(F)[C@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000552212075 289172255 /nfs/dbraw/zinc/17/22/55/289172255.db2.gz AJSQZGPMAXKQNP-VXGBXAGGSA-N 2 2 296.352 3.226 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000552956528 289203615 /nfs/dbraw/zinc/20/36/15/289203615.db2.gz CQXSIODNXFWOFZ-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000552956528 289203616 /nfs/dbraw/zinc/20/36/16/289203616.db2.gz CQXSIODNXFWOFZ-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510757481 289207676 /nfs/dbraw/zinc/20/76/76/289207676.db2.gz XYGCMVSJJYKMJT-GBESFXJTSA-N 2 2 286.463 3.328 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000553859523 289242189 /nfs/dbraw/zinc/24/21/89/289242189.db2.gz KMTRSJPHRIAHMV-BARLLCKDSA-N 2 2 286.463 3.425 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)[C@@H](C)C1 ZINC000553859523 289242190 /nfs/dbraw/zinc/24/21/90/289242190.db2.gz KMTRSJPHRIAHMV-BARLLCKDSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000554725093 289304446 /nfs/dbraw/zinc/30/44/46/289304446.db2.gz KIPMJWLKOHZXKR-SPUZQDLCSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000554725093 289304448 /nfs/dbraw/zinc/30/44/48/289304448.db2.gz KIPMJWLKOHZXKR-SPUZQDLCSA-N 2 2 272.436 3.285 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000554806195 289310014 /nfs/dbraw/zinc/31/00/14/289310014.db2.gz AYHRVNDFSJYYGJ-IAGOWNOFSA-N 2 2 274.452 3.328 20 0 CGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000555168519 289331550 /nfs/dbraw/zinc/33/15/50/289331550.db2.gz VGWRYEGQUUQXCB-INIZCTEOSA-N 2 2 295.430 3.465 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000556100744 289370680 /nfs/dbraw/zinc/37/06/80/289370680.db2.gz HHZWYNAJCGWMPF-PMPSAXMXSA-N 2 2 252.446 3.418 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000556100744 289370681 /nfs/dbraw/zinc/37/06/81/289370681.db2.gz HHZWYNAJCGWMPF-PMPSAXMXSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC1 ZINC000556586815 289399332 /nfs/dbraw/zinc/39/93/32/289399332.db2.gz OIZRUOYVQJFZBZ-KRWDZBQOSA-N 2 2 274.452 3.246 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000561108619 289625524 /nfs/dbraw/zinc/62/55/24/289625524.db2.gz DJFXUDIIPUBPTK-INIZCTEOSA-N 2 2 264.388 3.208 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000020096488 289964314 /nfs/dbraw/zinc/96/43/14/289964314.db2.gz UBHTYDOOFJMINN-YOEHRIQHSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278684 290227892 /nfs/dbraw/zinc/22/78/92/290227892.db2.gz LNPWXNQZYMTHMV-MXWKQRLJSA-N 2 2 285.218 3.206 20 0 CGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278684 290227898 /nfs/dbraw/zinc/22/78/98/290227898.db2.gz LNPWXNQZYMTHMV-MXWKQRLJSA-N 2 2 285.218 3.206 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c(OC)c1 ZINC000423183119 295207488 /nfs/dbraw/zinc/20/74/88/295207488.db2.gz REKMYGFKVCOKMX-CYBMUJFWSA-N 2 2 292.423 3.016 20 0 CGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cnn1C(C)C ZINC000423385265 301003631 /nfs/dbraw/zinc/00/36/31/301003631.db2.gz KKAHBEMRZUQVHM-BBRMVZONSA-N 2 2 292.471 3.201 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1)[NH+](C)C ZINC000443009811 302209081 /nfs/dbraw/zinc/20/90/81/302209081.db2.gz LFOVWOVHWGHTAI-CUSZFKRNSA-N 2 2 290.451 3.143 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CCCCC3)CC2 ZINC000334735581 304859716 /nfs/dbraw/zinc/85/97/16/304859716.db2.gz PYGALYDGOBMLAS-CABCVRRESA-N 2 2 273.424 3.291 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000086584671 533702977 /nfs/dbraw/zinc/70/29/77/533702977.db2.gz BWLGFJNPJYOCOF-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000086584671 533702981 /nfs/dbraw/zinc/70/29/81/533702981.db2.gz BWLGFJNPJYOCOF-LSDHHAIUSA-N 2 2 294.826 3.065 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC1([NH+](C)C)CCOCC1 ZINC000563037476 321974753 /nfs/dbraw/zinc/97/47/53/321974753.db2.gz CWHOUMRXGDQVCL-UHFFFAOYSA-N 2 2 299.418 3.066 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)n1C ZINC000563440905 321998342 /nfs/dbraw/zinc/99/83/42/321998342.db2.gz OECMYBWBQSZXST-IRXDYDNUSA-N 2 2 269.392 3.154 20 0 CGADLP Cc1ccccc1CCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565459941 322078802 /nfs/dbraw/zinc/07/88/02/322078802.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565459941 322078804 /nfs/dbraw/zinc/07/88/04/322078804.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565459941 322078806 /nfs/dbraw/zinc/07/88/06/322078806.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP Cc1ccccc1CCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565459941 322078807 /nfs/dbraw/zinc/07/88/07/322078807.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 2 2 272.436 3.096 20 0 CGADLP COc1cccc2c(NC[C@H]3CC[N@@H+](C(C)C)C3)cc[nH+]c12 ZINC000565518564 322080830 /nfs/dbraw/zinc/08/08/30/322080830.db2.gz HHZZZDLWQJEULO-CQSZACIVSA-N 2 2 299.418 3.386 20 0 CGADLP COc1cccc2c(NC[C@H]3CC[N@H+](C(C)C)C3)cc[nH+]c12 ZINC000565518564 322080833 /nfs/dbraw/zinc/08/08/33/322080833.db2.gz HHZZZDLWQJEULO-CQSZACIVSA-N 2 2 299.418 3.386 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000566984173 322145553 /nfs/dbraw/zinc/14/55/53/322145553.db2.gz FDHYTSYHEREEQI-MRXNPFEDSA-N 2 2 271.408 3.230 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccoc1 ZINC000567344213 322159763 /nfs/dbraw/zinc/15/97/63/322159763.db2.gz DWDMIPCIKRFQIF-BLLLJJGKSA-N 2 2 258.365 3.193 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000567781323 322177743 /nfs/dbraw/zinc/17/77/43/322177743.db2.gz BQRHBCPHDOKQFF-IRXDYDNUSA-N 2 2 276.424 3.116 20 0 CGADLP C[C@@H]([NH2+]CCOCC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000568695580 322218831 /nfs/dbraw/zinc/21/88/31/322218831.db2.gz QUHGCBPFCBRAQH-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)n1C ZINC000569260701 322241729 /nfs/dbraw/zinc/24/17/29/322241729.db2.gz ULYDUASLYIWIAP-MRXNPFEDSA-N 2 2 293.361 3.494 20 0 CGADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000569543907 322249999 /nfs/dbraw/zinc/24/99/99/322249999.db2.gz KKAPGJXPVATEST-UHFFFAOYSA-N 2 2 292.471 3.179 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC000570128041 322265408 /nfs/dbraw/zinc/26/54/08/322265408.db2.gz RWQBYTGNSCFFSU-AAEUAGOBSA-N 2 2 266.454 3.357 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000571208266 322292854 /nfs/dbraw/zinc/29/28/54/322292854.db2.gz MUOIWAGNUDIVIK-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000571208266 322292855 /nfs/dbraw/zinc/29/28/55/322292855.db2.gz MUOIWAGNUDIVIK-SFHVURJKSA-N 2 2 280.415 3.456 20 0 CGADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000571970484 322314153 /nfs/dbraw/zinc/31/41/53/322314153.db2.gz GPQNNDPJJYMLFC-CYBMUJFWSA-N 2 2 293.361 3.335 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCC34CC4)c2)c[nH+]1 ZINC000572258102 322328116 /nfs/dbraw/zinc/32/81/16/322328116.db2.gz JLSDOLFMKPCONM-KRWDZBQOSA-N 2 2 281.403 3.354 20 0 CGADLP CCc1ncc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000572332955 322331786 /nfs/dbraw/zinc/33/17/86/322331786.db2.gz WQBXWATYQANAPA-UHFFFAOYSA-N 2 2 296.374 3.021 20 0 CGADLP Cc1csc([C@@H]([NH2+]CCc2cc[nH+]cc2C)C2CC2)n1 ZINC000572479374 322339386 /nfs/dbraw/zinc/33/93/86/322339386.db2.gz VKJOOFLDLODCQJ-HNNXBMFYSA-N 2 2 287.432 3.438 20 0 CGADLP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586064 322395998 /nfs/dbraw/zinc/39/59/98/322395998.db2.gz HXAATGSTJADTAH-ZWKOTPCHSA-N 2 2 294.483 3.332 20 0 CGADLP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586064 322396002 /nfs/dbraw/zinc/39/60/02/322396002.db2.gz HXAATGSTJADTAH-ZWKOTPCHSA-N 2 2 294.483 3.332 20 0 CGADLP C[C@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000573634063 322398272 /nfs/dbraw/zinc/39/82/72/322398272.db2.gz NXTRWYRPPOUCAS-ZMSDIMECSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@H]1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000573634063 322398274 /nfs/dbraw/zinc/39/82/74/322398274.db2.gz NXTRWYRPPOUCAS-ZMSDIMECSA-N 2 2 274.408 3.361 20 0 CGADLP COc1ccsc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000573863532 322410886 /nfs/dbraw/zinc/41/08/86/322410886.db2.gz YDMIBOSNYHFDBW-LBPRGKRZSA-N 2 2 279.409 3.084 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)n1C ZINC000575196802 322478693 /nfs/dbraw/zinc/47/86/93/322478693.db2.gz YPIHQFUVDPKZHL-QZTJIDSGSA-N 2 2 299.418 3.047 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000387527290 327298400 /nfs/dbraw/zinc/29/84/00/327298400.db2.gz PHXLYYXJHOWTIR-GOSISDBHSA-N 2 2 299.418 3.339 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1 ZINC000582719806 329130067 /nfs/dbraw/zinc/13/00/67/329130067.db2.gz QTSGADYHUWKEBX-NZSAHSFTSA-N 2 2 295.430 3.397 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582853050 329280389 /nfs/dbraw/zinc/28/03/89/329280389.db2.gz ZBSRTRJQLOVMIQ-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000582853050 329280391 /nfs/dbraw/zinc/28/03/91/329280391.db2.gz ZBSRTRJQLOVMIQ-LSDHHAIUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583181382 329348528 /nfs/dbraw/zinc/34/85/28/329348528.db2.gz KOBLTEOUGDRZCA-XJKSGUPXSA-N 2 2 288.416 3.227 20 0 CGADLP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583181382 329348529 /nfs/dbraw/zinc/34/85/29/329348529.db2.gz KOBLTEOUGDRZCA-XJKSGUPXSA-N 2 2 288.416 3.227 20 0 CGADLP Cc1csc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000397468056 329354691 /nfs/dbraw/zinc/35/46/91/329354691.db2.gz OTZUJMHOSFVITJ-GFCCVEGCSA-N 2 2 261.394 3.048 20 0 CGADLP Cc1cnc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000397467058 329354714 /nfs/dbraw/zinc/35/47/14/329354714.db2.gz LZRABNOYSZGJIM-GFCCVEGCSA-N 2 2 261.394 3.048 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCCC23CC3)[nH+]c1 ZINC000580451755 330138686 /nfs/dbraw/zinc/13/86/86/330138686.db2.gz KSMZRRHITCPFSQ-AWEZNQCLSA-N 2 2 259.397 3.196 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C1CCCC1 ZINC000379654540 330146703 /nfs/dbraw/zinc/14/67/03/330146703.db2.gz ITWFJARHHZFKKC-UHFFFAOYSA-N 2 2 260.425 3.429 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C1CCCC1 ZINC000379654540 330146704 /nfs/dbraw/zinc/14/67/04/330146704.db2.gz ITWFJARHHZFKKC-UHFFFAOYSA-N 2 2 260.425 3.429 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840053 335254857 /nfs/dbraw/zinc/25/48/57/335254857.db2.gz JZKOJQIQQCPGLQ-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840053 335254858 /nfs/dbraw/zinc/25/48/58/335254858.db2.gz JZKOJQIQQCPGLQ-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840053 335254860 /nfs/dbraw/zinc/25/48/60/335254860.db2.gz JZKOJQIQQCPGLQ-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000576840053 335254861 /nfs/dbraw/zinc/25/48/61/335254861.db2.gz JZKOJQIQQCPGLQ-QZTJIDSGSA-N 2 2 290.426 3.432 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000578679195 335663199 /nfs/dbraw/zinc/66/31/99/335663199.db2.gz DXMYGYBFFCXXHO-KBXCAEBGSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000579145258 335716260 /nfs/dbraw/zinc/71/62/60/335716260.db2.gz ZDLBINLWZLOJLS-ZNMIVQPWSA-N 2 2 269.392 3.123 20 0 CGADLP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000183565705 335897758 /nfs/dbraw/zinc/89/77/58/335897758.db2.gz MFKXEEYVVFWLSP-BZUAXINKSA-N 2 2 263.429 3.325 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2Cl)n1C ZINC000581499770 336090823 /nfs/dbraw/zinc/09/08/23/336090823.db2.gz RPWGCSSQBVFVTH-JTQLQIEISA-N 2 2 263.772 3.233 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000382814037 336097437 /nfs/dbraw/zinc/09/74/37/336097437.db2.gz VWMFSHGTVSWAGK-INWMFGNUSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000382814037 336097438 /nfs/dbraw/zinc/09/74/38/336097438.db2.gz VWMFSHGTVSWAGK-INWMFGNUSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1c(Cl)c(C[N@@H+](C)C2CC([NH3+])C2)nc2ccccc12 ZINC000384885741 336133563 /nfs/dbraw/zinc/13/35/63/336133563.db2.gz SAPOEEDARNPZTN-UHFFFAOYSA-N 2 2 289.810 3.118 20 0 CGADLP Cc1c(Cl)c(C[N@H+](C)C2CC([NH3+])C2)nc2ccccc12 ZINC000384885741 336133564 /nfs/dbraw/zinc/13/35/64/336133564.db2.gz SAPOEEDARNPZTN-UHFFFAOYSA-N 2 2 289.810 3.118 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386156877 336166973 /nfs/dbraw/zinc/16/69/73/336166973.db2.gz TZFCIUGIOQYALF-SMDDNHRTSA-N 2 2 286.341 3.326 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc2ccccc21 ZINC000449103633 533880726 /nfs/dbraw/zinc/88/07/26/533880726.db2.gz RFRWFGDAHIHPCY-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc2ccccc21 ZINC000449103633 533880733 /nfs/dbraw/zinc/88/07/33/533880733.db2.gz RFRWFGDAHIHPCY-INIZCTEOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000421825020 533964263 /nfs/dbraw/zinc/96/42/63/533964263.db2.gz LIFXWMYMFZPHKM-RYUDHWBXSA-N 2 2 284.831 3.339 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000436287121 534200363 /nfs/dbraw/zinc/20/03/63/534200363.db2.gz SDXQOMISQKQRFE-DYVFJYSZSA-N 2 2 290.476 3.023 20 0 CGADLP CSc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000436287121 534200368 /nfs/dbraw/zinc/20/03/68/534200368.db2.gz SDXQOMISQKQRFE-DYVFJYSZSA-N 2 2 290.476 3.023 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000449135707 534258940 /nfs/dbraw/zinc/25/89/40/534258940.db2.gz RALJYGNHHNOGKG-SOUVJXGZSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000449135707 534258946 /nfs/dbraw/zinc/25/89/46/534258946.db2.gz RALJYGNHHNOGKG-SOUVJXGZSA-N 2 2 264.413 3.063 20 0 CGADLP CC(C)[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151318001 519813171 /nfs/dbraw/zinc/81/31/71/519813171.db2.gz CAPVMEVIKXVNKL-AWEZNQCLSA-N 2 2 257.381 3.066 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]CCc3cn(C)c[nH+]3)oc2c1 ZINC000414125077 534473175 /nfs/dbraw/zinc/47/31/75/534473175.db2.gz LVBTUKBTADSMGP-CYBMUJFWSA-N 2 2 283.375 3.368 20 0 CGADLP Fc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)c2ccccn2)cc1 ZINC000423562447 534495033 /nfs/dbraw/zinc/49/50/33/534495033.db2.gz QJBWOUADULPAQP-SFHVURJKSA-N 2 2 299.393 3.042 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317599 520866378 /nfs/dbraw/zinc/86/63/78/520866378.db2.gz BFKJPMLBFVRQHQ-SJLPKXTDSA-N 2 2 290.451 3.086 20 0 CGADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000437592354 534528539 /nfs/dbraw/zinc/52/85/39/534528539.db2.gz QRDMEJJHUCOXCV-GFCCVEGCSA-N 2 2 298.365 3.410 20 0 CGADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000437592354 534528544 /nfs/dbraw/zinc/52/85/44/534528544.db2.gz QRDMEJJHUCOXCV-GFCCVEGCSA-N 2 2 298.365 3.410 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000364808498 521160813 /nfs/dbraw/zinc/16/08/13/521160813.db2.gz LYGYXUHNNUFVDT-JYJNAYRXSA-N 2 2 294.464 3.042 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000364808498 521160826 /nfs/dbraw/zinc/16/08/26/521160826.db2.gz LYGYXUHNNUFVDT-JYJNAYRXSA-N 2 2 294.464 3.042 20 0 CGADLP Cc1c[nH+]cn1C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000439129429 534713529 /nfs/dbraw/zinc/71/35/29/534713529.db2.gz HVNXPYWAHFLCJE-UHFFFAOYSA-N 2 2 299.422 3.255 20 0 CGADLP Cc1cccc(C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)c1 ZINC000427878401 534727549 /nfs/dbraw/zinc/72/75/49/534727549.db2.gz AFYLHMCONSMGKC-MSOLQXFVSA-N 2 2 295.430 3.117 20 0 CGADLP CC[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000088525245 523867657 /nfs/dbraw/zinc/86/76/57/523867657.db2.gz ZPJQNGVALBAMIW-INIZCTEOSA-N 2 2 289.467 3.066 20 0 CGADLP CC[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000088525245 523867666 /nfs/dbraw/zinc/86/76/66/523867666.db2.gz ZPJQNGVALBAMIW-INIZCTEOSA-N 2 2 289.467 3.066 20 0 CGADLP Cc1ccccc1CC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000449381202 534807535 /nfs/dbraw/zinc/80/75/35/534807535.db2.gz QUHWKHJVRIHMPC-UHFFFAOYSA-N 2 2 279.387 3.317 20 0 CGADLP Cc1ccccc1CC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000449381202 534807539 /nfs/dbraw/zinc/80/75/39/534807539.db2.gz QUHWKHJVRIHMPC-UHFFFAOYSA-N 2 2 279.387 3.317 20 0 CGADLP CC(C)CC[N@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCC1 ZINC000425324798 527719775 /nfs/dbraw/zinc/71/97/75/527719775.db2.gz KXUTWSWOIYEUGA-UHFFFAOYSA-N 2 2 292.471 3.277 20 0 CGADLP CC(C)CC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)C1CCCC1 ZINC000425324798 527719782 /nfs/dbraw/zinc/71/97/82/527719782.db2.gz KXUTWSWOIYEUGA-UHFFFAOYSA-N 2 2 292.471 3.277 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025211 527756378 /nfs/dbraw/zinc/75/63/78/527756378.db2.gz AURBRQSDNYMPBY-GDBMZVCRSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025211 527756382 /nfs/dbraw/zinc/75/63/82/527756382.db2.gz AURBRQSDNYMPBY-GDBMZVCRSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025211 527756385 /nfs/dbraw/zinc/75/63/85/527756385.db2.gz AURBRQSDNYMPBY-GDBMZVCRSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025211 527756389 /nfs/dbraw/zinc/75/63/89/527756389.db2.gz AURBRQSDNYMPBY-GDBMZVCRSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H](C)C1 ZINC000364493151 527884381 /nfs/dbraw/zinc/88/43/81/527884381.db2.gz MPWPILOAMZNGBO-HOCLYGCPSA-N 2 2 299.418 3.162 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H](C)C1 ZINC000364493151 527884384 /nfs/dbraw/zinc/88/43/84/527884384.db2.gz MPWPILOAMZNGBO-HOCLYGCPSA-N 2 2 299.418 3.162 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428237700 528176488 /nfs/dbraw/zinc/17/64/88/528176488.db2.gz BRVUCNBAWOITRL-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428237700 528176490 /nfs/dbraw/zinc/17/64/90/528176490.db2.gz BRVUCNBAWOITRL-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C)c2F)C1 ZINC000449026246 528177181 /nfs/dbraw/zinc/17/71/81/528177181.db2.gz DZZDEFCAWAVKNJ-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2F)C1 ZINC000449026246 528177188 /nfs/dbraw/zinc/17/71/88/528177188.db2.gz DZZDEFCAWAVKNJ-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CC(C)c1cnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000363866471 528214461 /nfs/dbraw/zinc/21/44/61/528214461.db2.gz VZLDQUAPLVFYKQ-UHFFFAOYSA-N 2 2 290.436 3.369 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000368099921 528241690 /nfs/dbraw/zinc/24/16/90/528241690.db2.gz GRXSTEIWBOZSGS-STQMWFEESA-N 2 2 275.421 3.460 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000368099921 528241697 /nfs/dbraw/zinc/24/16/97/528241697.db2.gz GRXSTEIWBOZSGS-STQMWFEESA-N 2 2 275.421 3.460 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423238114 528334714 /nfs/dbraw/zinc/33/47/14/528334714.db2.gz FECBDPXHUBXCJF-SNVBAGLBSA-N 2 2 295.477 3.440 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1SCC ZINC000423394695 528422646 /nfs/dbraw/zinc/42/26/46/528422646.db2.gz ZYLHTOWBUGZKSL-OLZOCXBDSA-N 2 2 266.454 3.447 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423378276 528422779 /nfs/dbraw/zinc/42/27/79/528422779.db2.gz KSDGFQJKHKECNE-KGLIPLIRSA-N 2 2 286.419 3.497 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000423394448 528423279 /nfs/dbraw/zinc/42/32/79/528423279.db2.gz ZRSWDWAEWSUDOA-BXUZGUMPSA-N 2 2 299.256 3.488 20 0 CGADLP CC[N@H+](CCC1CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355036975 528425163 /nfs/dbraw/zinc/42/51/63/528425163.db2.gz PPBXPNSLFSJEGB-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC[N@@H+](CCC1CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355036975 528425172 /nfs/dbraw/zinc/42/51/72/528425172.db2.gz PPBXPNSLFSJEGB-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414803890 528532574 /nfs/dbraw/zinc/53/25/74/528532574.db2.gz XAEGXOWPNSMEDN-AWEZNQCLSA-N 2 2 293.411 3.022 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423285431 528533756 /nfs/dbraw/zinc/53/37/56/528533756.db2.gz ZHPCYMLXJVWWAX-PWSUYJOCSA-N 2 2 290.329 3.219 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427889304 528726071 /nfs/dbraw/zinc/72/60/71/528726071.db2.gz GLFMOZYIEXQFBI-GOEBONIOSA-N 2 2 299.418 3.338 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423298888 528821935 /nfs/dbraw/zinc/82/19/35/528821935.db2.gz PCKNUUYQUFVWSZ-CMPLNLGQSA-N 2 2 286.341 3.198 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423300355 528955172 /nfs/dbraw/zinc/95/51/72/528955172.db2.gz RJRXQIXKIKDFQK-CMPLNLGQSA-N 2 2 256.340 3.133 20 0 CGADLP CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423572111 529019589 /nfs/dbraw/zinc/01/95/89/529019589.db2.gz YGSLBOPMYSUPJN-NVXWUHKLSA-N 2 2 276.424 3.268 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427842350 529023007 /nfs/dbraw/zinc/02/30/07/529023007.db2.gz KCTBNUAYNZYPPX-JKSUJKDBSA-N 2 2 269.392 3.329 20 0 CGADLP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1cc(F)ccc1F ZINC000358915302 529119561 /nfs/dbraw/zinc/11/95/61/529119561.db2.gz OFPKCLSKFBJWRV-HNNXBMFYSA-N 2 2 270.367 3.203 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cn1 ZINC000423233537 529121609 /nfs/dbraw/zinc/12/16/09/529121609.db2.gz DQCCVYSSIPDTEB-WBVHZDCISA-N 2 2 287.382 3.207 20 0 CGADLP CC1(C)C[C@@H](c2ccccc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000425534392 529142643 /nfs/dbraw/zinc/14/26/43/529142643.db2.gz BHHFYTQGENUVAU-INIZCTEOSA-N 2 2 269.392 3.356 20 0 CGADLP CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000425534392 529142645 /nfs/dbraw/zinc/14/26/45/529142645.db2.gz BHHFYTQGENUVAU-INIZCTEOSA-N 2 2 269.392 3.356 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1F ZINC000368102930 529203645 /nfs/dbraw/zinc/20/36/45/529203645.db2.gz QUWFZRVLHLWYRN-BXUZGUMPSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1F ZINC000368102930 529203646 /nfs/dbraw/zinc/20/36/46/529203646.db2.gz QUWFZRVLHLWYRN-BXUZGUMPSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1F ZINC000427893984 529207917 /nfs/dbraw/zinc/20/79/17/529207917.db2.gz PXGAHXNWMJETEU-SWLSCSKDSA-N 2 2 291.345 3.217 20 0 CGADLP Cc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)s1 ZINC000220356493 572341546 /nfs/dbraw/zinc/34/15/46/572341546.db2.gz WRFDJUGINBJKRW-UHFFFAOYSA-N 2 2 260.406 3.017 20 0 CGADLP Cc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)s1 ZINC000220356493 572341549 /nfs/dbraw/zinc/34/15/49/572341549.db2.gz WRFDJUGINBJKRW-UHFFFAOYSA-N 2 2 260.406 3.017 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000731677394 572423416 /nfs/dbraw/zinc/42/34/16/572423416.db2.gz OVSYMRAEWNIOSL-AWEZNQCLSA-N 2 2 299.418 3.165 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000742371792 572569694 /nfs/dbraw/zinc/56/96/94/572569694.db2.gz DLEIZLNWTQVTDH-CVYDXHPNSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000742371792 572569699 /nfs/dbraw/zinc/56/96/99/572569699.db2.gz DLEIZLNWTQVTDH-CVYDXHPNSA-N 2 2 287.451 3.070 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]1 ZINC000926368021 618568491 /nfs/dbraw/zinc/56/84/91/618568491.db2.gz PVKBUPNRKDRYMB-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP c1cc2c(cccc2CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[nH]1 ZINC000926368021 618568499 /nfs/dbraw/zinc/56/84/99/618568499.db2.gz PVKBUPNRKDRYMB-RBUKOAKNSA-N 2 2 297.446 3.317 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000262319816 618712909 /nfs/dbraw/zinc/71/29/09/618712909.db2.gz QWZGEYAQAYLPHP-IRXDYDNUSA-N 2 2 296.418 3.485 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926714593 618835981 /nfs/dbraw/zinc/83/59/81/618835981.db2.gz ODWGEFVWPBFFGX-WZYMTQMTSA-N 2 2 282.497 3.123 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccccc1 ZINC000925679008 619127958 /nfs/dbraw/zinc/12/79/58/619127958.db2.gz HBTGIVYUFOSJBE-WMLDXEAASA-N 2 2 283.419 3.037 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000194439777 619140185 /nfs/dbraw/zinc/14/01/85/619140185.db2.gz HIYXEVDEJUZVCD-NVXWUHKLSA-N 2 2 288.435 3.398 20 0 CGADLP COc1cccc2cc(C[NH2+]CCCCn3cc[nH+]c3)oc21 ZINC000314962075 619239606 /nfs/dbraw/zinc/23/96/06/619239606.db2.gz BPOZQVNZOWHJRC-UHFFFAOYSA-N 2 2 299.374 3.208 20 0 CGADLP Fc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1C(F)F ZINC000893706727 619296389 /nfs/dbraw/zinc/29/63/89/619296389.db2.gz JJEWHDVOKUIZRE-NSHDSACASA-N 2 2 295.308 3.064 20 0 CGADLP CCc1onc(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925889143 619308620 /nfs/dbraw/zinc/30/86/20/619308620.db2.gz HPODHILYVCPOCJ-DOTOQJQBSA-N 2 2 299.418 3.128 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131513 619551994 /nfs/dbraw/zinc/55/19/94/619551994.db2.gz BYKYDPIVCLGNCZ-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCCC1 ZINC000880131513 619552000 /nfs/dbraw/zinc/55/20/00/619552000.db2.gz BYKYDPIVCLGNCZ-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC000880131513 619552005 /nfs/dbraw/zinc/55/20/05/619552005.db2.gz BYKYDPIVCLGNCZ-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC000880131513 619552012 /nfs/dbraw/zinc/55/20/12/619552012.db2.gz BYKYDPIVCLGNCZ-HZPDHXFCSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH2+]C1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000262051585 619613595 /nfs/dbraw/zinc/61/35/95/619613595.db2.gz ZPANDVORIKDIQK-LBPRGKRZSA-N 2 2 266.816 3.127 20 0 CGADLP C[C@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110798 619733762 /nfs/dbraw/zinc/73/37/62/619733762.db2.gz XRHNBGIFOXEVLQ-YHUYYLMFSA-N 2 2 273.424 3.347 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCCSC2)CC1 ZINC000895110637 619733861 /nfs/dbraw/zinc/73/38/61/619733861.db2.gz ROMHTZNPECUMGJ-RBSFLKMASA-N 2 2 291.464 3.054 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000073007338 625405345 /nfs/dbraw/zinc/40/53/45/625405345.db2.gz RDNLOZLCPNPYDV-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c(C)c1 ZINC000840726334 620238181 /nfs/dbraw/zinc/23/81/81/620238181.db2.gz GGJFKPFLOGSZCG-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c(C)c1 ZINC000840726334 620238184 /nfs/dbraw/zinc/23/81/84/620238184.db2.gz GGJFKPFLOGSZCG-LSDHHAIUSA-N 2 2 276.424 3.139 20 0 CGADLP COCCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000925270590 620330395 /nfs/dbraw/zinc/33/03/95/620330395.db2.gz ABNVGMLWDALYOU-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP COCCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000925270590 620330397 /nfs/dbraw/zinc/33/03/97/620330397.db2.gz ABNVGMLWDALYOU-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000925302754 620392451 /nfs/dbraw/zinc/39/24/51/620392451.db2.gz ILPVQMFMERUJFO-AWEZNQCLSA-N 2 2 290.455 3.132 20 0 CGADLP Cn1c(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc2ccccc21 ZINC000897983059 620462191 /nfs/dbraw/zinc/46/21/91/620462191.db2.gz XCYKNVUOTCOHOM-UHFFFAOYSA-N 2 2 297.446 3.285 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC000898433597 620586994 /nfs/dbraw/zinc/58/69/94/620586994.db2.gz OXKPCSJDMYLESJ-KMKOMSMNSA-N 2 2 293.842 3.064 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000902436561 621317955 /nfs/dbraw/zinc/31/79/55/621317955.db2.gz ZRXFEWYOYWOSNL-QRVBRYPASA-N 2 2 293.414 3.137 20 0 CGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC000902445227 621322374 /nfs/dbraw/zinc/32/23/74/621322374.db2.gz PHHMPWSMULZRBL-PSOPSSQASA-N 2 2 258.390 3.023 20 0 CGADLP c1csc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CCCC2)c1 ZINC000902475980 621325899 /nfs/dbraw/zinc/32/58/99/621325899.db2.gz KVIRUBCTUZMYRG-CTASWTNQSA-N 2 2 276.449 3.462 20 0 CGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000902742881 621421814 /nfs/dbraw/zinc/42/18/14/621421814.db2.gz ZYWKDJUGMQQCGU-SUNYJGFJSA-N 2 2 299.418 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000902780832 621438226 /nfs/dbraw/zinc/43/82/26/621438226.db2.gz URHDLKGKMZUKJO-WDEREUQCSA-N 2 2 289.345 3.091 20 0 CGADLP C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902832022 621465767 /nfs/dbraw/zinc/46/57/67/621465767.db2.gz IFUDCBRTZYDKBS-MXWWQKGMSA-N 2 2 299.418 3.217 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902836366 621468727 /nfs/dbraw/zinc/46/87/27/621468727.db2.gz GTKMHQWNKKLBLS-CZUORRHYSA-N 2 2 287.432 3.419 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903089342 621567061 /nfs/dbraw/zinc/56/70/61/621567061.db2.gz QIQDJACQHXWJRG-YPRXJGMQSA-N 2 2 291.464 3.260 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903089342 621567065 /nfs/dbraw/zinc/56/70/65/621567065.db2.gz QIQDJACQHXWJRG-YPRXJGMQSA-N 2 2 291.464 3.260 20 0 CGADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903070113 621567715 /nfs/dbraw/zinc/56/77/15/621567715.db2.gz POQXGPGZIXAROL-XYPHTWIQSA-N 2 2 285.391 3.090 20 0 CGADLP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903223204 621633692 /nfs/dbraw/zinc/63/36/92/621633692.db2.gz XHKORXAMCGFKBL-ZIAGYGMSSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H]1C ZINC000903222128 621633942 /nfs/dbraw/zinc/63/39/42/621633942.db2.gz WGKBPQNDKQXDLT-LMOYCYGVSA-N 2 2 295.496 3.365 20 0 CGADLP c1cc(NC2CC[NH+](CC3CC3)CC2)[nH+]c(C2CC2)c1 ZINC000903267156 621653923 /nfs/dbraw/zinc/65/39/23/621653923.db2.gz ARRQSJIYJDHLLG-UHFFFAOYSA-N 2 2 271.408 3.245 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888931 621822819 /nfs/dbraw/zinc/82/28/19/621822819.db2.gz NCIKHVFBUZNXIW-JKSUJKDBSA-N 2 2 296.405 3.232 20 0 CGADLP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903888931 621822821 /nfs/dbraw/zinc/82/28/21/621822821.db2.gz NCIKHVFBUZNXIW-JKSUJKDBSA-N 2 2 296.405 3.232 20 0 CGADLP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903872040 621824798 /nfs/dbraw/zinc/82/47/98/621824798.db2.gz BSXAOZBJEFZVOZ-AWEZNQCLSA-N 2 2 284.394 3.398 20 0 CGADLP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903872040 621824799 /nfs/dbraw/zinc/82/47/99/621824799.db2.gz BSXAOZBJEFZVOZ-AWEZNQCLSA-N 2 2 284.394 3.398 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000904374366 621913594 /nfs/dbraw/zinc/91/35/94/621913594.db2.gz RNDAHTSJKUKSMY-CVEARBPZSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000904374366 621913598 /nfs/dbraw/zinc/91/35/98/621913598.db2.gz RNDAHTSJKUKSMY-CVEARBPZSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000904428169 621920202 /nfs/dbraw/zinc/92/02/02/621920202.db2.gz FKTRINGIVBISNK-GJZGRUSLSA-N 2 2 275.440 3.202 20 0 CGADLP Cc1cccnc1[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C(C)(C)C ZINC000904469441 621924592 /nfs/dbraw/zinc/92/45/92/621924592.db2.gz MHBQOUSGIBZHEB-HOCLYGCPSA-N 2 2 277.456 3.440 20 0 CGADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906586080 622249183 /nfs/dbraw/zinc/24/91/83/622249183.db2.gz COCGHLTWAJTXGE-SJORKVTESA-N 2 2 288.410 3.242 20 0 CGADLP C[N@H+]1CCCC12CC[NH+]([C@H]1C[C@@H]1c1cccc(F)c1)CC2 ZINC000906586080 622249187 /nfs/dbraw/zinc/24/91/87/622249187.db2.gz COCGHLTWAJTXGE-SJORKVTESA-N 2 2 288.410 3.242 20 0 CGADLP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Cl)c1 ZINC000059382907 623006115 /nfs/dbraw/zinc/00/61/15/623006115.db2.gz RUDBBQPMFJIQHG-UHFFFAOYSA-N 2 2 270.779 3.055 20 0 CGADLP CC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152182636 623628264 /nfs/dbraw/zinc/62/82/64/623628264.db2.gz LFLRLNQGKDSTGO-CQSZACIVSA-N 2 2 275.440 3.110 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000921495885 624595603 /nfs/dbraw/zinc/59/56/03/624595603.db2.gz IXDCATRRNDQBHO-AWEZNQCLSA-N 2 2 295.858 3.398 20 0 CGADLP Cc1cnc(Cl)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000921495885 624595610 /nfs/dbraw/zinc/59/56/10/624595610.db2.gz IXDCATRRNDQBHO-AWEZNQCLSA-N 2 2 295.858 3.398 20 0 CGADLP FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000761046542 627010316 /nfs/dbraw/zinc/01/03/16/627010316.db2.gz BEVWAVRLQRGLNT-ZDUSSCGKSA-N 2 2 295.308 3.257 20 0 CGADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000761046542 627010319 /nfs/dbraw/zinc/01/03/19/627010319.db2.gz BEVWAVRLQRGLNT-ZDUSSCGKSA-N 2 2 295.308 3.257 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766271950 627309762 /nfs/dbraw/zinc/30/97/62/627309762.db2.gz WMKVQHPGTUWFGR-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766271950 627309766 /nfs/dbraw/zinc/30/97/66/627309766.db2.gz WMKVQHPGTUWFGR-RHSMWYFYSA-N 2 2 258.409 3.056 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766272006 627309984 /nfs/dbraw/zinc/30/99/84/627309984.db2.gz IWNNXFRIZVCWJQ-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766272006 627309990 /nfs/dbraw/zinc/30/99/90/627309990.db2.gz IWNNXFRIZVCWJQ-HOTGVXAUSA-N 2 2 290.451 3.090 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2sccc21 ZINC000766271961 627310141 /nfs/dbraw/zinc/31/01/41/627310141.db2.gz WNJDPHCYPGJOHA-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2sccc21 ZINC000766271961 627310144 /nfs/dbraw/zinc/31/01/44/627310144.db2.gz WNJDPHCYPGJOHA-OCCSQVGLSA-N 2 2 264.438 3.199 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000773030495 627844627 /nfs/dbraw/zinc/84/46/27/627844627.db2.gz QXBDVYKWVADMQN-UHFFFAOYSA-N 2 2 287.451 3.111 20 0 CGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(N2CCCC2)c1 ZINC000775550066 628105816 /nfs/dbraw/zinc/10/58/16/628105816.db2.gz UXHNZPDEFRTQCW-INIZCTEOSA-N 2 2 287.451 3.033 20 0 CGADLP C[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000783243026 628693432 /nfs/dbraw/zinc/69/34/32/628693432.db2.gz JDLIIAHVQDCOQX-BMFZPTHFSA-N 2 2 269.392 3.092 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]CC3(C)CC3)cc2)CC1 ZINC000785431816 628861696 /nfs/dbraw/zinc/86/16/96/628861696.db2.gz MKJYRGKBGHDMSG-UHFFFAOYSA-N 2 2 273.424 3.041 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC(F)(F)C1 ZINC000862273299 629335688 /nfs/dbraw/zinc/33/56/88/629335688.db2.gz WUYZGWHGYJDNLG-WCQYABFASA-N 2 2 285.382 3.321 20 0 CGADLP Cc1[nH]c(CNc2ccc(C[NH+](C)C)c(Cl)c2)[nH+]c1C ZINC000862351768 629346994 /nfs/dbraw/zinc/34/69/94/629346994.db2.gz UEGFEYUZRUKMNE-UHFFFAOYSA-N 2 2 292.814 3.354 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000865411833 630109766 /nfs/dbraw/zinc/10/97/66/630109766.db2.gz HWNOQPYWODJPQF-CQSZACIVSA-N 2 2 287.407 3.239 20 0 CGADLP C[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+]1CCCCC1 ZINC000799715832 630223170 /nfs/dbraw/zinc/22/31/70/630223170.db2.gz UXSNXZSRNPDTJY-IYXRBSQSSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000800242928 630255739 /nfs/dbraw/zinc/25/57/39/630255739.db2.gz JXIGMRGTAHAXSM-SOLBZPMBSA-N 2 2 287.451 3.182 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000800242928 630255741 /nfs/dbraw/zinc/25/57/41/630255741.db2.gz JXIGMRGTAHAXSM-SOLBZPMBSA-N 2 2 287.451 3.182 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000815558988 631795689 /nfs/dbraw/zinc/79/56/89/631795689.db2.gz UHSCHJJUXKOKJV-CHWSQXEVSA-N 2 2 261.344 3.070 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000817973790 632265835 /nfs/dbraw/zinc/26/58/35/632265835.db2.gz WPQWETYWYWQHIR-CJNGLKHVSA-N 2 2 276.424 3.050 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000866239952 633040265 /nfs/dbraw/zinc/04/02/65/633040265.db2.gz XTZISTVHFAOADC-KRWDZBQOSA-N 2 2 287.382 3.470 20 0 CGADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000866344300 633090163 /nfs/dbraw/zinc/09/01/63/633090163.db2.gz VHBAJATVJNEBGD-DWQUBVKVSA-N 2 2 299.393 3.250 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000866397932 633122361 /nfs/dbraw/zinc/12/23/61/633122361.db2.gz KZRYTPCRXBOPLB-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000866397932 633122364 /nfs/dbraw/zinc/12/23/64/633122364.db2.gz KZRYTPCRXBOPLB-CRAIPNDOSA-N 2 2 287.451 3.009 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866724936 633236680 /nfs/dbraw/zinc/23/66/80/633236680.db2.gz OKCZMUUYRGUTOO-CVEARBPZSA-N 2 2 278.827 3.099 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866724936 633236688 /nfs/dbraw/zinc/23/66/88/633236688.db2.gz OKCZMUUYRGUTOO-CVEARBPZSA-N 2 2 278.827 3.099 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000824971684 633313179 /nfs/dbraw/zinc/31/31/79/633313179.db2.gz WRXSNYNLVGCJGS-MDZLAQPJSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000824971684 633313181 /nfs/dbraw/zinc/31/31/81/633313181.db2.gz WRXSNYNLVGCJGS-MDZLAQPJSA-N 2 2 291.266 3.175 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237632 635948816 /nfs/dbraw/zinc/94/88/16/635948816.db2.gz ZBCNPABFEFYQSS-HNNXBMFYSA-N 2 2 287.382 3.362 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237632 635948818 /nfs/dbraw/zinc/94/88/18/635948818.db2.gz ZBCNPABFEFYQSS-HNNXBMFYSA-N 2 2 287.382 3.362 20 0 CGADLP C[C@]1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1(Cl)Cl ZINC000828006500 633548357 /nfs/dbraw/zinc/54/83/57/633548357.db2.gz STWUOZXBMNVPMR-GFCCVEGCSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000846103948 636143162 /nfs/dbraw/zinc/14/31/62/636143162.db2.gz AHOMKLRTRPHSNS-IJLUTSLNSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000846103948 636143163 /nfs/dbraw/zinc/14/31/63/636143163.db2.gz AHOMKLRTRPHSNS-IJLUTSLNSA-N 2 2 291.266 3.175 20 0 CGADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000872064725 633980542 /nfs/dbraw/zinc/98/05/42/633980542.db2.gz KRNYYGIKGDWVJN-NSHDSACASA-N 2 2 266.351 3.181 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000872066414 633988418 /nfs/dbraw/zinc/98/84/18/633988418.db2.gz MUXZDMSKCSRMEI-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000872066414 633988422 /nfs/dbraw/zinc/98/84/22/633988422.db2.gz MUXZDMSKCSRMEI-RDJZCZTQSA-N 2 2 292.467 3.085 20 0 CGADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1 ZINC000834526773 634176317 /nfs/dbraw/zinc/17/63/17/634176317.db2.gz PABRVLZWGWJDGH-CVEARBPZSA-N 2 2 286.423 3.434 20 0 CGADLP C[C@@H](C[NH2+]C1CCc2ccccc2CC1)Cn1cc[nH+]c1 ZINC000834543513 634180068 /nfs/dbraw/zinc/18/00/68/634180068.db2.gz GGRLJPNFMQCBFU-HNNXBMFYSA-N 2 2 283.419 3.056 20 0 CGADLP c1cn(CCCC[NH2+]Cc2cccc3ncccc23)c[nH+]1 ZINC000873021797 634233064 /nfs/dbraw/zinc/23/30/64/634233064.db2.gz MEFGEGQPULTFGF-UHFFFAOYSA-N 2 2 280.375 3.001 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000876967180 634939883 /nfs/dbraw/zinc/93/98/83/634939883.db2.gz CRXRVZOGWXMJKD-GFCCVEGCSA-N 2 2 296.201 3.156 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000841088338 635120027 /nfs/dbraw/zinc/12/00/27/635120027.db2.gz VAEOPUWZFFMASN-HUUCEWRRSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000841088338 635120032 /nfs/dbraw/zinc/12/00/32/635120032.db2.gz VAEOPUWZFFMASN-HUUCEWRRSA-N 2 2 293.842 3.007 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138520 635922563 /nfs/dbraw/zinc/92/25/63/635922563.db2.gz XWFZFDUGJPGOEY-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCCC1 ZINC000880138520 635922567 /nfs/dbraw/zinc/92/25/67/635922567.db2.gz XWFZFDUGJPGOEY-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC000880138520 635922570 /nfs/dbraw/zinc/92/25/70/635922570.db2.gz XWFZFDUGJPGOEY-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCCC1 ZINC000880138520 635922572 /nfs/dbraw/zinc/92/25/72/635922572.db2.gz XWFZFDUGJPGOEY-JKSUJKDBSA-N 2 2 250.430 3.125 20 0 CGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@H]1CCc2ccccc21 ZINC000880143101 635924514 /nfs/dbraw/zinc/92/45/14/635924514.db2.gz XWVTZPPAFXIWJY-BHIYHBOVSA-N 2 2 284.447 3.275 20 0 CGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@H]1CCc2ccccc21 ZINC000880143101 635924516 /nfs/dbraw/zinc/92/45/16/635924516.db2.gz XWVTZPPAFXIWJY-BHIYHBOVSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H]1CCc2ccccc21 ZINC000880143101 635924518 /nfs/dbraw/zinc/92/45/18/635924518.db2.gz XWVTZPPAFXIWJY-BHIYHBOVSA-N 2 2 284.447 3.275 20 0 CGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@H]1CCc2ccccc21 ZINC000880143101 635924519 /nfs/dbraw/zinc/92/45/19/635924519.db2.gz XWVTZPPAFXIWJY-BHIYHBOVSA-N 2 2 284.447 3.275 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000880473514 636007449 /nfs/dbraw/zinc/00/74/49/636007449.db2.gz GWPCNCGGKANMKB-UHFFFAOYSA-N 2 2 276.399 3.216 20 0 CGADLP c1cn(C[C@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc2)c[nH+]1 ZINC000880568599 636023284 /nfs/dbraw/zinc/02/32/84/636023284.db2.gz BEJTXOSPUFAJEH-ROUUACIJSA-N 2 2 299.418 3.173 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000846103947 636142856 /nfs/dbraw/zinc/14/28/56/636142856.db2.gz AHOMKLRTRPHSNS-GRYCIOLGSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000846103947 636142858 /nfs/dbraw/zinc/14/28/58/636142858.db2.gz AHOMKLRTRPHSNS-GRYCIOLGSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncs1 ZINC000129246769 636202707 /nfs/dbraw/zinc/20/27/07/636202707.db2.gz MIYIQCBLQBDTJA-YPMHNXCESA-N 2 2 278.425 3.105 20 0 CGADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883222888 636595368 /nfs/dbraw/zinc/59/53/68/636595368.db2.gz CSUWTCACJHOBHV-LALPHHSUSA-N 2 2 261.413 3.071 20 0 CGADLP c1ccc2ncc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000848575459 636613575 /nfs/dbraw/zinc/61/35/75/636613575.db2.gz QXRJUDAZALXACQ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2ncc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000848575459 636613580 /nfs/dbraw/zinc/61/35/80/636613580.db2.gz QXRJUDAZALXACQ-OALUTQOASA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc(N2CCC([NH2+]CC3(CC4CC4)CC3)CC2)[nH+]c1 ZINC000883252648 636624412 /nfs/dbraw/zinc/62/44/12/636624412.db2.gz RNTCXNBHVJEQGL-UHFFFAOYSA-N 2 2 285.435 3.220 20 0 CGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)F ZINC000883258439 636628756 /nfs/dbraw/zinc/62/87/56/636628756.db2.gz BGBZAHYLDRINLR-UHFFFAOYSA-N 2 2 297.393 3.321 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000883439123 636756617 /nfs/dbraw/zinc/75/66/17/636756617.db2.gz JJMLIWAICSAHPM-UHFFFAOYSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[NH2+]CCC1(C)C ZINC000883439123 636756623 /nfs/dbraw/zinc/75/66/23/636756623.db2.gz JJMLIWAICSAHPM-UHFFFAOYSA-N 2 2 299.418 3.224 20 0 CGADLP Cc1cc(C)cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000850366933 637031524 /nfs/dbraw/zinc/03/15/24/637031524.db2.gz ODIWOJDYZQEVIU-UHFFFAOYSA-N 2 2 289.448 3.111 20 0 CGADLP Fc1cccc(/C=C\C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000885935319 637319898 /nfs/dbraw/zinc/31/98/98/637319898.db2.gz HXPNLWIFSNKSGL-XQRVVYSFSA-N 2 2 273.355 3.105 20 0 CGADLP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000885940084 637322460 /nfs/dbraw/zinc/32/24/60/637322460.db2.gz AIUVMUQTZVRAGU-IRXDYDNUSA-N 2 2 299.418 3.310 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)C[N@H+](Cc2ccccc2)C1 ZINC000136502474 637386131 /nfs/dbraw/zinc/38/61/31/637386131.db2.gz ZBGQQKOLFBWNMZ-CRAIPNDOSA-N 2 2 270.420 3.205 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000136502474 637386137 /nfs/dbraw/zinc/38/61/37/637386137.db2.gz ZBGQQKOLFBWNMZ-CRAIPNDOSA-N 2 2 270.420 3.205 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1Cl ZINC000886874344 637716184 /nfs/dbraw/zinc/71/61/84/637716184.db2.gz MCEJHSCXLXVHKR-INIZCTEOSA-N 2 2 293.842 3.009 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nc1Cl ZINC000886874344 637716189 /nfs/dbraw/zinc/71/61/89/637716189.db2.gz MCEJHSCXLXVHKR-INIZCTEOSA-N 2 2 293.842 3.009 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924569600 638364378 /nfs/dbraw/zinc/36/43/78/638364378.db2.gz HZRQTLCMFIWKJM-CQSZACIVSA-N 2 2 299.418 3.477 20 0 CGADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924587029 638369598 /nfs/dbraw/zinc/36/95/98/638369598.db2.gz YOROXCFMNOUJNZ-AWEZNQCLSA-N 2 2 287.407 3.367 20 0 CGADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000924709786 638392307 /nfs/dbraw/zinc/39/23/07/638392307.db2.gz ZQSPITRPQJRMQV-AWEZNQCLSA-N 2 2 287.407 3.367 20 0 CGADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924730798 638395896 /nfs/dbraw/zinc/39/58/96/638395896.db2.gz QYFBKKVSVMKUBW-HLLBOEOZSA-N 2 2 295.471 3.217 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1csc(Cl)n1)CC1CCCC1 ZINC000857087847 638456746 /nfs/dbraw/zinc/45/67/46/638456746.db2.gz WHTVGSOXTNDTBR-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP [NH3+]CCC[N@H+](Cc1csc(Cl)n1)CC1CCCC1 ZINC000857087847 638456750 /nfs/dbraw/zinc/45/67/50/638456750.db2.gz WHTVGSOXTNDTBR-UHFFFAOYSA-N 2 2 287.860 3.138 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925302315 638493923 /nfs/dbraw/zinc/49/39/23/638493923.db2.gz BNCGZPSNUXFNSM-HNNXBMFYSA-N 2 2 293.842 3.185 20 0 CGADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)s1 ZINC000925489126 638509935 /nfs/dbraw/zinc/50/99/35/638509935.db2.gz NZHLVJUMNZPVKO-MUAIWGBPSA-N 2 2 296.867 3.439 20 0 CGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)C12CCC2 ZINC000925507863 638514185 /nfs/dbraw/zinc/51/41/85/638514185.db2.gz OCFVMNGSVVJEDP-LSDHHAIUSA-N 2 2 299.443 3.170 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)C12CCC2 ZINC000925507862 638514585 /nfs/dbraw/zinc/51/45/85/638514585.db2.gz OCFVMNGSVVJEDP-HUUCEWRRSA-N 2 2 299.443 3.170 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ncsc2c1 ZINC000925641619 638554220 /nfs/dbraw/zinc/55/42/20/638554220.db2.gz CARKELGDTMVMLO-IAQYHMDHSA-N 2 2 287.432 3.232 20 0 CGADLP Cc1cc(N[C@H](C)c2ccc(C[NH3+])nc2C)c[nH+]c1C ZINC000925768896 638604413 /nfs/dbraw/zinc/60/44/13/638604413.db2.gz MOTXNCGWLMSBPU-CYBMUJFWSA-N 2 2 270.380 3.034 20 0 CGADLP Cc1cnc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(C)c1 ZINC000925830828 638625921 /nfs/dbraw/zinc/62/59/21/638625921.db2.gz FUWWBNNWBCSTQT-ROUUACIJSA-N 2 2 295.430 3.281 20 0 CGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925871811 638636911 /nfs/dbraw/zinc/63/69/11/638636911.db2.gz ITAJZZJIQDKPMI-JLSDUUJJSA-N 2 2 295.430 3.007 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC23CCCCC3)s1 ZINC000858191022 638654537 /nfs/dbraw/zinc/65/45/37/638654537.db2.gz LYPYMRYQWMCQRL-CYBMUJFWSA-N 2 2 279.453 3.017 20 0 CGADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926451197 638772568 /nfs/dbraw/zinc/77/25/68/638772568.db2.gz XMHWQRYIRWFYIS-JHJVBQTASA-N 2 2 261.413 3.071 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(Cl)Cl ZINC000926520989 638781096 /nfs/dbraw/zinc/78/10/96/638781096.db2.gz SMCIWLARPSHBAY-FRRDWIJNSA-N 2 2 291.266 3.177 20 0 CGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(Cl)Cl ZINC000926520989 638781098 /nfs/dbraw/zinc/78/10/98/638781098.db2.gz SMCIWLARPSHBAY-FRRDWIJNSA-N 2 2 291.266 3.177 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876617 638820401 /nfs/dbraw/zinc/82/04/01/638820401.db2.gz APEYOROXKSZDNZ-LDBYLJPUSA-N 2 2 294.508 3.267 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1C[C@H]2CC[C@@H](C1)S2 ZINC000926876617 638820403 /nfs/dbraw/zinc/82/04/03/638820403.db2.gz APEYOROXKSZDNZ-LDBYLJPUSA-N 2 2 294.508 3.267 20 0 CGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000927137687 638846402 /nfs/dbraw/zinc/84/64/02/638846402.db2.gz ALLVAIDPCAEMAF-UHFFFAOYSA-N 2 2 291.439 3.042 20 0 CGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931349918 639138616 /nfs/dbraw/zinc/13/86/16/639138616.db2.gz ATZLMAGLUVVVAG-ZDUSSCGKSA-N 2 2 264.388 3.303 20 0 CGADLP C[NH+](C)C1(C)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000931351921 639139385 /nfs/dbraw/zinc/13/93/85/639139385.db2.gz ARYCEIRDMKXOFD-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+]([C@H]1CCCc3ccc(F)cc31)CC2 ZINC000931515357 639164189 /nfs/dbraw/zinc/16/41/89/639164189.db2.gz VUMFUKVVVNPKNR-SFHVURJKSA-N 2 2 297.377 3.239 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+]([C@H]1CCCc3ccc(F)cc31)CC2 ZINC000931515357 639164192 /nfs/dbraw/zinc/16/41/92/639164192.db2.gz VUMFUKVVVNPKNR-SFHVURJKSA-N 2 2 297.377 3.239 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccns1 ZINC000860057768 639274924 /nfs/dbraw/zinc/27/49/24/639274924.db2.gz ALUUOEWRLPXIFF-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1OC ZINC000932475559 639341324 /nfs/dbraw/zinc/34/13/24/639341324.db2.gz UYEQPJQSJDYTBB-OAHLLOKOSA-N 2 2 291.370 3.162 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000250225360 640811637 /nfs/dbraw/zinc/81/16/37/640811637.db2.gz FJOSMLHWZNCUKR-NVXWUHKLSA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccccc1 ZINC000250225360 640811643 /nfs/dbraw/zinc/81/16/43/640811643.db2.gz FJOSMLHWZNCUKR-NVXWUHKLSA-N 2 2 260.425 3.082 20 0 CGADLP Cc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c(C)c(C)[nH+]1 ZINC001155346907 805575120 /nfs/dbraw/zinc/57/51/20/805575120.db2.gz PSKYNMKXXBBMQD-LLVKDONJSA-N 2 2 280.375 3.365 20 0 CGADLP Cc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc(C2CC2)[nH+]1 ZINC001155552879 805590909 /nfs/dbraw/zinc/59/09/09/805590909.db2.gz GTPDPEDHTXJEND-WBVHZDCISA-N 2 2 294.402 3.178 20 0 CGADLP CCCc1cc(N[C@@H]2C[NH2+]Cc3ccsc32)nc(C)[nH+]1 ZINC001155561238 805592117 /nfs/dbraw/zinc/59/21/17/805592117.db2.gz LCKBSYJBICRAPY-CYBMUJFWSA-N 2 2 288.420 3.055 20 0 CGADLP CCCC[NH+](CCCC)CCNc1[nH+]cc(C)cc1N ZINC001156905322 805748846 /nfs/dbraw/zinc/74/88/46/805748846.db2.gz HUWSFUGXEYPEKJ-UHFFFAOYSA-N 2 2 278.444 3.286 20 0 CGADLP Cc1cc(N2CCCC[C@]23CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001157473013 805818947 /nfs/dbraw/zinc/81/89/47/805818947.db2.gz PAWFSCMZSLCGEW-QGZVFWFLSA-N 2 2 288.439 3.021 20 0 CGADLP CCOc1cc[nH+]c(N(C)CC[N@H+](C)Cc2ccccc2)c1 ZINC001157554918 805834310 /nfs/dbraw/zinc/83/43/10/805834310.db2.gz YSWBAXRPZPOODD-UHFFFAOYSA-N 2 2 299.418 3.049 20 0 CGADLP CCOc1cc[nH+]c(N(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001157554918 805834321 /nfs/dbraw/zinc/83/43/21/805834321.db2.gz YSWBAXRPZPOODD-UHFFFAOYSA-N 2 2 299.418 3.049 20 0 CGADLP Cc1cc(O)c[nH+]c1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159123478 806047091 /nfs/dbraw/zinc/04/70/91/806047091.db2.gz FAYMEBMQXNIXSQ-UHFFFAOYSA-N 2 2 283.375 3.306 20 0 CGADLP Cc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c(C)c1 ZINC001159322038 806082615 /nfs/dbraw/zinc/08/26/15/806082615.db2.gz XUJGSDIQRQBYRJ-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP COc1ccc(C)[nH+]c1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001159397351 806095076 /nfs/dbraw/zinc/09/50/76/806095076.db2.gz LJFYRNQXYLBGJR-UHFFFAOYSA-N 2 2 291.439 3.462 20 0 CGADLP C(=CC1CC[NH2+]CC1)Nc1ccc([NH+]2CCCC2)cc1 ZINC001159443228 806103950 /nfs/dbraw/zinc/10/39/50/806103950.db2.gz LDDWPXDVPULSJR-FMIVXFBMSA-N 2 2 271.408 3.212 20 0 CGADLP Cc1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1 ZINC001159948118 806203201 /nfs/dbraw/zinc/20/32/01/806203201.db2.gz DVINWLRQKLCIPX-MRXNPFEDSA-N 2 2 283.375 3.264 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1ccccc1F ZINC001253408189 806216808 /nfs/dbraw/zinc/21/68/08/806216808.db2.gz VQGKZDQDHXUQDK-XJKSGUPXSA-N 2 2 296.430 3.006 20 0 CGADLP COCCC1(CNc2cc3ccccc3c[nH+]2)CC[NH2+]CC1 ZINC001161497574 806385283 /nfs/dbraw/zinc/38/52/83/806385283.db2.gz VUABBNUGFNPCGD-UHFFFAOYSA-N 2 2 299.418 3.053 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001254482227 806412692 /nfs/dbraw/zinc/41/26/92/806412692.db2.gz HVXFGBWAPRMTEN-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001254482227 806412694 /nfs/dbraw/zinc/41/26/94/806412694.db2.gz HVXFGBWAPRMTEN-ROUUACIJSA-N 2 2 274.452 3.472 20 0 CGADLP Cc1cc(NCCCC[NH+](C)C)[nH+]cc1C(F)(F)F ZINC001161724951 806436388 /nfs/dbraw/zinc/43/63/88/806436388.db2.gz SBUGKSHMRBGREP-UHFFFAOYSA-N 2 2 275.318 3.163 20 0 CGADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254842948 806495414 /nfs/dbraw/zinc/49/54/14/806495414.db2.gz HHRAHTFBMNYAHH-LJQANCHMSA-N 2 2 286.463 3.426 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254841255 806495581 /nfs/dbraw/zinc/49/55/81/806495581.db2.gz VKLCZWXXBNHJTK-CZUORRHYSA-N 2 2 250.430 3.029 20 0 CGADLP FC1(F)CCC2(C[C@@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254844391 806497106 /nfs/dbraw/zinc/49/71/06/806497106.db2.gz JCLDEKRSCIOIEM-KGLIPLIRSA-N 2 2 284.394 3.028 20 0 CGADLP FC1(F)CCC2(C[C@@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254844389 806497193 /nfs/dbraw/zinc/49/71/93/806497193.db2.gz JCLDEKRSCIOIEM-KBPBESRZSA-N 2 2 284.394 3.028 20 0 CGADLP OCCCCCCCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849155 806498892 /nfs/dbraw/zinc/49/88/92/806498892.db2.gz RJWCQXMFLFNCDC-GOSISDBHSA-N 2 2 296.499 3.173 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254865517 806503048 /nfs/dbraw/zinc/50/30/48/806503048.db2.gz ZZOIHCXOAPIMNB-MJGOQNOKSA-N 2 2 284.447 3.480 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254865517 806503052 /nfs/dbraw/zinc/50/30/52/806503052.db2.gz ZZOIHCXOAPIMNB-MJGOQNOKSA-N 2 2 284.447 3.480 20 0 CGADLP C[C@@]1([NH3+])C[C@H](Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001162328685 806555363 /nfs/dbraw/zinc/55/53/63/806555363.db2.gz WJNDCZHTLFDJDO-FZNQNYSPSA-N 2 2 253.349 3.040 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001162392674 806574701 /nfs/dbraw/zinc/57/47/01/806574701.db2.gz RGRCIIGLAWTROR-UONOGXRCSA-N 2 2 259.328 3.056 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001162392673 806575150 /nfs/dbraw/zinc/57/51/50/806575150.db2.gz RGRCIIGLAWTROR-KGLIPLIRSA-N 2 2 259.328 3.056 20 0 CGADLP [NH3+][C@H]1CCC[C@@H](Nc2cc[nH+]c(OCc3ccccc3)c2)C1 ZINC001162395085 806575251 /nfs/dbraw/zinc/57/52/51/806575251.db2.gz BTFSHLQODORKHJ-JKSUJKDBSA-N 2 2 297.402 3.342 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)C1CCC(C)(C)CC1 ZINC001255306925 806602913 /nfs/dbraw/zinc/60/29/13/806602913.db2.gz SVICLTKDRSGEAB-UHFFFAOYSA-N 3 2 297.531 3.161 20 0 CGADLP CCCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001255326049 806613320 /nfs/dbraw/zinc/61/33/20/806613320.db2.gz NXHKALWXFAQCCF-SZMVWBNQSA-N 2 2 287.451 3.024 20 0 CGADLP CC(C)COc1cc(NC[C@]2(F)CCCC[NH2+]C2)cc[nH+]1 ZINC001162586209 806624811 /nfs/dbraw/zinc/62/48/11/806624811.db2.gz CXNZXSIECCMTBX-INIZCTEOSA-N 2 2 295.402 3.010 20 0 CGADLP CCC(CC)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156327 798861046 /nfs/dbraw/zinc/86/10/46/798861046.db2.gz GOZTYJDNAAPDDH-AWEZNQCLSA-N 2 2 251.418 3.324 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156549 798861859 /nfs/dbraw/zinc/86/18/59/798861859.db2.gz YQUYBOFQGQEUJN-UONOGXRCSA-N 2 2 251.418 3.322 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1 ZINC000037156571 798862262 /nfs/dbraw/zinc/86/22/62/798862262.db2.gz FOLQCGJICFYUPE-DZGCQCFKSA-N 2 2 272.396 3.044 20 0 CGADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc12 ZINC000094692753 798970535 /nfs/dbraw/zinc/97/05/35/798970535.db2.gz XCDBJPRKUPLOPN-DYVFJYSZSA-N 2 2 284.403 3.018 20 0 CGADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c2ccccc12 ZINC000094692753 798970537 /nfs/dbraw/zinc/97/05/37/798970537.db2.gz XCDBJPRKUPLOPN-DYVFJYSZSA-N 2 2 284.403 3.018 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000311020021 799223428 /nfs/dbraw/zinc/22/34/28/799223428.db2.gz LNARWQBGWBTNOJ-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000311020021 799223430 /nfs/dbraw/zinc/22/34/30/799223430.db2.gz LNARWQBGWBTNOJ-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1c1ccccc1 ZINC000319236468 799246026 /nfs/dbraw/zinc/24/60/26/799246026.db2.gz WAQRYJJUBZAYPC-QXAKKESOSA-N 2 2 296.389 3.240 20 0 CGADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)C[C@H]1c1ccccc1 ZINC000319236468 799246033 /nfs/dbraw/zinc/24/60/33/799246033.db2.gz WAQRYJJUBZAYPC-QXAKKESOSA-N 2 2 296.389 3.240 20 0 CGADLP Cc1ccc(-c2cc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2)cc1 ZINC001163260994 806732791 /nfs/dbraw/zinc/73/27/91/806732791.db2.gz CTHSMJCMKYHUNA-SQNIBIBYSA-N 2 2 293.414 3.467 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000385930095 799430360 /nfs/dbraw/zinc/43/03/60/799430360.db2.gz KPBDNUKSXDYBDJ-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000385930095 799430363 /nfs/dbraw/zinc/43/03/63/799430363.db2.gz KPBDNUKSXDYBDJ-NSHDSACASA-N 2 2 270.779 3.040 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594473 799472027 /nfs/dbraw/zinc/47/20/27/799472027.db2.gz UVBOAXYUCKNWDD-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594473 799472032 /nfs/dbraw/zinc/47/20/32/799472032.db2.gz UVBOAXYUCKNWDD-QAPCUYQASA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397970102 799524183 /nfs/dbraw/zinc/52/41/83/799524183.db2.gz ZPFLFTLDQDQODD-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397970102 799524186 /nfs/dbraw/zinc/52/41/86/799524186.db2.gz ZPFLFTLDQDQODD-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP [NH3+]CC[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399227590 799537125 /nfs/dbraw/zinc/53/71/25/799537125.db2.gz YRGSIYYGJMYLDN-CYBMUJFWSA-N 2 2 287.234 3.031 20 0 CGADLP [NH3+]CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1 ZINC000399227590 799537126 /nfs/dbraw/zinc/53/71/26/799537126.db2.gz YRGSIYYGJMYLDN-CYBMUJFWSA-N 2 2 287.234 3.031 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527951947 799669424 /nfs/dbraw/zinc/66/94/24/799669424.db2.gz RYNGPBLQSMDYKS-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527951947 799669430 /nfs/dbraw/zinc/66/94/30/799669430.db2.gz RYNGPBLQSMDYKS-ZACQAIPSSA-N 2 2 262.441 3.172 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255862094 806773961 /nfs/dbraw/zinc/77/39/61/806773961.db2.gz CBYUSONCURIBRE-PBHICJAKSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001255862094 806773968 /nfs/dbraw/zinc/77/39/68/806773968.db2.gz CBYUSONCURIBRE-PBHICJAKSA-N 2 2 292.442 3.467 20 0 CGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1(Cl)CC1 ZINC000695635278 799829197 /nfs/dbraw/zinc/82/91/97/799829197.db2.gz BRGZCEKKARCBDQ-NEPJUHHUSA-N 2 2 269.820 3.047 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCCCCC1 ZINC001255884102 806782158 /nfs/dbraw/zinc/78/21/58/806782158.db2.gz SOJGWJHEYBVGQT-HNNXBMFYSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000701960993 799901284 /nfs/dbraw/zinc/90/12/84/799901284.db2.gz ONVRMLXPMYIHKX-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000701960993 799901293 /nfs/dbraw/zinc/90/12/93/799901293.db2.gz ONVRMLXPMYIHKX-BBRMVZONSA-N 2 2 278.415 3.219 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001255959412 806800833 /nfs/dbraw/zinc/80/08/33/806800833.db2.gz LHCVWKWFQZLRPB-ZDUSSCGKSA-N 2 2 266.454 3.227 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001255959412 806800841 /nfs/dbraw/zinc/80/08/41/806800841.db2.gz LHCVWKWFQZLRPB-ZDUSSCGKSA-N 2 2 266.454 3.227 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000714756158 800128868 /nfs/dbraw/zinc/12/88/68/800128868.db2.gz AKBUIUBVIKVQSX-UHFFFAOYSA-N 2 2 258.818 3.105 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256069603 806811448 /nfs/dbraw/zinc/81/14/48/806811448.db2.gz HZLDLFYDDKYUEU-GOSISDBHSA-N 2 2 288.410 3.493 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256081250 806816369 /nfs/dbraw/zinc/81/63/69/806816369.db2.gz VQIIAYPHFPBIRZ-AWEZNQCLSA-N 2 2 270.420 3.060 20 0 CGADLP C[C@H]1Cc2ccccc2C[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256081250 806816374 /nfs/dbraw/zinc/81/63/74/806816374.db2.gz VQIIAYPHFPBIRZ-AWEZNQCLSA-N 2 2 270.420 3.060 20 0 CGADLP CCCCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640618 800299599 /nfs/dbraw/zinc/29/95/99/800299599.db2.gz LFSOUINGIDEMSR-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721640618 800299602 /nfs/dbraw/zinc/29/96/02/800299602.db2.gz LFSOUINGIDEMSR-RHSMWYFYSA-N 2 2 260.425 3.341 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105037 806821187 /nfs/dbraw/zinc/82/11/87/806821187.db2.gz ARIRYENFDWLRES-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256105037 806821194 /nfs/dbraw/zinc/82/11/94/806821194.db2.gz ARIRYENFDWLRES-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391382 800321089 /nfs/dbraw/zinc/32/10/89/800321089.db2.gz ASDHGBSXEFNUBV-OCCSQVGLSA-N 2 2 281.469 3.263 20 0 CGADLP CC[N@H+]([C@H](C)Cc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001256163631 806841247 /nfs/dbraw/zinc/84/12/47/806841247.db2.gz FIWDFMIDVGJYMY-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP CC[N@@H+]([C@H](C)Cc1cccc(OC)c1)C1CC[NH+](C)CC1 ZINC001256163631 806841255 /nfs/dbraw/zinc/84/12/55/806841255.db2.gz FIWDFMIDVGJYMY-OAHLLOKOSA-N 2 2 290.451 3.042 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000932372359 800659928 /nfs/dbraw/zinc/65/99/28/800659928.db2.gz IIYPQHYCODYICS-CQSZACIVSA-N 2 2 287.407 3.084 20 0 CGADLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CCC2)c1 ZINC000932402422 800665774 /nfs/dbraw/zinc/66/57/74/800665774.db2.gz FBEPPKNYHGAOFR-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCC2)c1 ZINC000932402422 800665780 /nfs/dbraw/zinc/66/57/80/800665780.db2.gz FBEPPKNYHGAOFR-UHFFFAOYSA-N 2 2 287.382 3.467 20 0 CGADLP C[NH+]1CCC([N@@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001256207252 806850998 /nfs/dbraw/zinc/85/09/98/806850998.db2.gz FGHJDZHYTFTKHV-ZDUSSCGKSA-N 2 2 278.827 3.224 20 0 CGADLP C[NH+]1CCC([N@H+]2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC001256207252 806851005 /nfs/dbraw/zinc/85/10/05/806851005.db2.gz FGHJDZHYTFTKHV-ZDUSSCGKSA-N 2 2 278.827 3.224 20 0 CGADLP CC(C)CC[C@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001256372014 806876237 /nfs/dbraw/zinc/87/62/37/806876237.db2.gz YPRQSLFCVCEPQN-KRWDZBQOSA-N 3 2 285.520 3.017 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520864 806909710 /nfs/dbraw/zinc/90/97/10/806909710.db2.gz VCGPITREYDKMPY-RDTXWAMCSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1oncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520864 806909713 /nfs/dbraw/zinc/90/97/13/806909713.db2.gz VCGPITREYDKMPY-RDTXWAMCSA-N 2 2 299.418 3.126 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CC(c3ccccc3)C2)CC1 ZINC001256574512 806921028 /nfs/dbraw/zinc/92/10/28/806921028.db2.gz ATSJQAMBRDWYOY-UHFFFAOYSA-N 2 2 272.436 3.349 20 0 CGADLP Cc1coc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001119507542 802673869 /nfs/dbraw/zinc/67/38/69/802673869.db2.gz LVAADPITAKJZBF-OAHLLOKOSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1coc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001119507542 802673871 /nfs/dbraw/zinc/67/38/71/802673871.db2.gz LVAADPITAKJZBF-OAHLLOKOSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1cc(F)cc(C)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001243918294 803074959 /nfs/dbraw/zinc/07/49/59/803074959.db2.gz XKBQKVCHRKERFD-UHFFFAOYSA-N 2 2 295.361 3.444 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)n1 ZINC001206809948 813443669 /nfs/dbraw/zinc/44/36/69/813443669.db2.gz MPDCAOYGILBQEE-QWHCGFSZSA-N 2 2 295.858 3.418 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)n1 ZINC001206809948 813443673 /nfs/dbraw/zinc/44/36/73/813443673.db2.gz MPDCAOYGILBQEE-QWHCGFSZSA-N 2 2 295.858 3.418 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)CCCC1 ZINC001208184997 813736202 /nfs/dbraw/zinc/73/62/02/813736202.db2.gz SMGGFJWYXQXRMR-ZDUSSCGKSA-N 2 2 292.389 3.178 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)CCCC1 ZINC001208184997 813736206 /nfs/dbraw/zinc/73/62/06/813736206.db2.gz SMGGFJWYXQXRMR-ZDUSSCGKSA-N 2 2 292.389 3.178 20 0 CGADLP CNc1cc(-c2ccc([C@H]3CC[N@H+](C)C3)cc2)cc[nH+]1 ZINC001244978586 803601033 /nfs/dbraw/zinc/60/10/33/803601033.db2.gz VFCWGEBJJQMTPE-INIZCTEOSA-N 2 2 267.376 3.209 20 0 CGADLP CNc1cc(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)cc[nH+]1 ZINC001244978586 803601035 /nfs/dbraw/zinc/60/10/35/803601035.db2.gz VFCWGEBJJQMTPE-INIZCTEOSA-N 2 2 267.376 3.209 20 0 CGADLP COc1ccc(F)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001138375328 803908360 /nfs/dbraw/zinc/90/83/60/803908360.db2.gz GHTPZFYLAMNRID-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(F)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001138375328 803908363 /nfs/dbraw/zinc/90/83/63/803908363.db2.gz GHTPZFYLAMNRID-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP CCC(C)(C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246084672 804118695 /nfs/dbraw/zinc/11/86/95/804118695.db2.gz GJOYSDPPEIYIML-WUCCLRPBSA-N 2 2 270.436 3.271 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246141107 804163120 /nfs/dbraw/zinc/16/31/20/804163120.db2.gz KCFXNQFAYGDPAV-ZMYBRWDISA-N 2 2 298.405 3.450 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1cccc2ccccc21 ZINC001246155626 804172631 /nfs/dbraw/zinc/17/26/31/804172631.db2.gz WNMDBKAGEVRJDB-GZBFAFLISA-N 2 2 254.377 3.241 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC001246157451 804173510 /nfs/dbraw/zinc/17/35/10/804173510.db2.gz BEDGSGVLYZGROH-DZGCQCFKSA-N 2 2 284.806 3.345 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC001246160962 804177281 /nfs/dbraw/zinc/17/72/81/804177281.db2.gz WGGROQNRMXJWQU-UKRRQHHQSA-N 2 2 282.378 3.221 20 0 CGADLP FC(F)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360610 804184273 /nfs/dbraw/zinc/18/42/73/804184273.db2.gz YLUGVMXWBZWDCZ-CQSZACIVSA-N 2 2 291.345 3.349 20 0 CGADLP FC(F)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360610 804184280 /nfs/dbraw/zinc/18/42/80/804184280.db2.gz YLUGVMXWBZWDCZ-CQSZACIVSA-N 2 2 291.345 3.349 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+]C[C@@]2(F)CCC[NH2+]C2)cc1 ZINC001246178210 804192374 /nfs/dbraw/zinc/19/23/74/804192374.db2.gz NOAJACOFDJEJKL-GOEBONIOSA-N 2 2 296.455 3.157 20 0 CGADLP CC1(C)CCC[C@@H]([NH2+][C@H](C2CC[NH2+]CC2)C(F)(F)F)C1 ZINC001246194754 804202488 /nfs/dbraw/zinc/20/24/88/804202488.db2.gz OMHZWXQKPNZERR-CHWSQXEVSA-N 2 2 292.389 3.475 20 0 CGADLP CC1(C)C[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC001246212779 804210839 /nfs/dbraw/zinc/21/08/39/804210839.db2.gz RIPQMLNVTZGONJ-LBPRGKRZSA-N 2 2 278.827 3.449 20 0 CGADLP CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC001139592789 804216947 /nfs/dbraw/zinc/21/69/47/804216947.db2.gz HJUCRANDPQRMMC-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC001139592789 804216954 /nfs/dbraw/zinc/21/69/54/804216954.db2.gz HJUCRANDPQRMMC-UHFFFAOYSA-N 2 2 284.831 3.122 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229068 804221637 /nfs/dbraw/zinc/22/16/37/804221637.db2.gz KABXLMIUAKZAEV-ZJUUUORDSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246279912 804255027 /nfs/dbraw/zinc/25/50/27/804255027.db2.gz MXUCEAJXVFINKL-CVEARBPZSA-N 2 2 264.388 3.255 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC001246287778 804259519 /nfs/dbraw/zinc/25/95/19/804259519.db2.gz KUYAXRDRIJSYIS-HOTGVXAUSA-N 2 2 264.388 3.399 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246295540 804264215 /nfs/dbraw/zinc/26/42/15/804264215.db2.gz PAJXCXBPJJKFNP-WBVHZDCISA-N 2 2 284.488 3.482 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCC3)c2)C[NH2+]1 ZINC001246312823 804273509 /nfs/dbraw/zinc/27/35/09/804273509.db2.gz BEFIWJHUGZDKHJ-RHSMWYFYSA-N 2 2 288.435 3.096 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407032 804323357 /nfs/dbraw/zinc/32/33/57/804323357.db2.gz SKORCHSCFHBRAV-LAQRGFTBSA-N 3 2 293.499 3.032 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246407032 804323367 /nfs/dbraw/zinc/32/33/67/804323367.db2.gz SKORCHSCFHBRAV-LAQRGFTBSA-N 3 2 293.499 3.032 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C)nc2)CC1 ZINC001139933892 804327442 /nfs/dbraw/zinc/32/74/42/804327442.db2.gz XBOCTLRSXXGXSU-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)nc2)CC1 ZINC001139933892 804327450 /nfs/dbraw/zinc/32/74/50/804327450.db2.gz XBOCTLRSXXGXSU-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4ccccc4cn3)C[C@@H]2C1 ZINC001140000166 804347037 /nfs/dbraw/zinc/34/70/37/804347037.db2.gz FQRDNRZKVJRONY-ROUUACIJSA-N 2 2 295.430 3.008 20 0 CGADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246468920 804348191 /nfs/dbraw/zinc/34/81/91/804348191.db2.gz MNUYYMFDKNOXHH-DLBZAZTESA-N 2 2 260.425 3.432 20 0 CGADLP COc1cccc([C@H](C[NH3+])[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC001246509868 804367804 /nfs/dbraw/zinc/36/78/04/804367804.db2.gz JWRDEFYUAQSAHE-LBEHMCEESA-N 2 2 276.424 3.109 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246544377 804393892 /nfs/dbraw/zinc/39/38/92/804393892.db2.gz VFHVKWOFYAKSHS-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246544377 804393898 /nfs/dbraw/zinc/39/38/98/804393898.db2.gz VFHVKWOFYAKSHS-KBPBESRZSA-N 2 2 278.827 3.011 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246583862 804428568 /nfs/dbraw/zinc/42/85/68/804428568.db2.gz VXYUMTIUFRHPRN-AEFFLSMTSA-N 2 2 292.442 3.469 20 0 CGADLP Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001246583862 804428570 /nfs/dbraw/zinc/42/85/70/804428570.db2.gz VXYUMTIUFRHPRN-AEFFLSMTSA-N 2 2 292.442 3.469 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589470 804431000 /nfs/dbraw/zinc/43/10/00/804431000.db2.gz OEKQEMXEONWCPR-MGPQQGTHSA-N 2 2 292.389 3.366 20 0 CGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)CC[NH2+]1 ZINC001246589470 804431003 /nfs/dbraw/zinc/43/10/03/804431003.db2.gz OEKQEMXEONWCPR-MGPQQGTHSA-N 2 2 292.389 3.366 20 0 CGADLP CC1(C[NH3+])C[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246590340 804434136 /nfs/dbraw/zinc/43/41/36/804434136.db2.gz SNOMDMFDUWGEMW-LBPRGKRZSA-N 2 2 299.245 3.131 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246606317 804442339 /nfs/dbraw/zinc/44/23/39/804442339.db2.gz DSDZAKNZNRYYDU-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246606317 804442341 /nfs/dbraw/zinc/44/23/41/804442341.db2.gz DSDZAKNZNRYYDU-YOEHRIQHSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc2c1C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610043 804445396 /nfs/dbraw/zinc/44/53/96/804445396.db2.gz NRPBRQMETUWJAS-PBHICJAKSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1cccc2c1C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)C2 ZINC001246610043 804445401 /nfs/dbraw/zinc/44/54/01/804445401.db2.gz NRPBRQMETUWJAS-PBHICJAKSA-N 2 2 290.838 3.025 20 0 CGADLP C[C@H]1CC[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)C[NH2+]1 ZINC001246617533 804451298 /nfs/dbraw/zinc/45/12/98/804451298.db2.gz DAUNBKWEAPDPMJ-WMZOPIPTSA-N 2 2 298.474 3.497 20 0 CGADLP CCC[C@H](CC)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246619931 804453359 /nfs/dbraw/zinc/45/33/59/804453359.db2.gz PHXIQSHNCLTXAJ-XIRDDKMYSA-N 2 2 258.409 3.136 20 0 CGADLP CCC[C@H](CC)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246619931 804453364 /nfs/dbraw/zinc/45/33/64/804453364.db2.gz PHXIQSHNCLTXAJ-XIRDDKMYSA-N 2 2 258.409 3.136 20 0 CGADLP C1[NH2+][C@@H]2CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@H]12 ZINC001246628297 804459091 /nfs/dbraw/zinc/45/90/91/804459091.db2.gz BUKYHBUIXUXZEI-ARFHVFGLSA-N 2 2 262.441 3.173 20 0 CGADLP C1[NH2+][C@@H]2CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C[C@H]12 ZINC001246628297 804459093 /nfs/dbraw/zinc/45/90/93/804459093.db2.gz BUKYHBUIXUXZEI-ARFHVFGLSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246641083 804469264 /nfs/dbraw/zinc/46/92/64/804469264.db2.gz GUGKCESCCFHEQL-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246641083 804469268 /nfs/dbraw/zinc/46/92/68/804469268.db2.gz GUGKCESCCFHEQL-GFCCVEGCSA-N 2 2 296.817 3.238 20 0 CGADLP CC[C@@H]1CC[C@H]([N@@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645509 804472493 /nfs/dbraw/zinc/47/24/93/804472493.db2.gz BVSKRFFEDJPMMK-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CC[C@H]([N@H+]2CCCCC23CC[NH2+]CC3)C1 ZINC001246645509 804472495 /nfs/dbraw/zinc/47/24/95/804472495.db2.gz BVSKRFFEDJPMMK-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767926 804500463 /nfs/dbraw/zinc/50/04/63/804500463.db2.gz DCPKNMBWICWYCV-CQSZACIVSA-N 2 2 278.827 3.447 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246767926 804500467 /nfs/dbraw/zinc/50/04/67/804500467.db2.gz DCPKNMBWICWYCV-CQSZACIVSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@@H]1CC[C@H]([NH+]2CCC(c3cccs3)CC2)C[NH2+]1 ZINC001246786938 804511706 /nfs/dbraw/zinc/51/17/06/804511706.db2.gz BFXRMPMNPHOMFJ-OCCSQVGLSA-N 2 2 264.438 3.068 20 0 CGADLP CC[N@H+](Cc1coc2ccccc12)C1CC[NH+](C)CC1 ZINC001140785729 804514241 /nfs/dbraw/zinc/51/42/41/804514241.db2.gz QSIMATKBCZGCAY-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP CC[N@@H+](Cc1coc2ccccc12)C1CC[NH+](C)CC1 ZINC001140785729 804514247 /nfs/dbraw/zinc/51/42/47/804514247.db2.gz QSIMATKBCZGCAY-UHFFFAOYSA-N 2 2 272.392 3.349 20 0 CGADLP C[N@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246791352 804515684 /nfs/dbraw/zinc/51/56/84/804515684.db2.gz OKLRINYINJFBOL-GOEBONIOSA-N 2 2 278.415 3.424 20 0 CGADLP C[N@@H+](Cc1ccccc1F)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246791352 804515687 /nfs/dbraw/zinc/51/56/87/804515687.db2.gz OKLRINYINJFBOL-GOEBONIOSA-N 2 2 278.415 3.424 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246798255 804519349 /nfs/dbraw/zinc/51/93/49/804519349.db2.gz NLJCFUHLFCURLM-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1cccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001246798255 804519354 /nfs/dbraw/zinc/51/93/54/804519354.db2.gz NLJCFUHLFCURLM-ZFWWWQNUSA-N 2 2 298.352 3.247 20 0 CGADLP COc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801830 804521590 /nfs/dbraw/zinc/52/15/90/804521590.db2.gz HEZWFXAXNFPVPR-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP COc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801830 804521592 /nfs/dbraw/zinc/52/15/92/804521592.db2.gz HEZWFXAXNFPVPR-UHFFFAOYSA-N 2 2 293.370 3.130 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874013 804573535 /nfs/dbraw/zinc/57/35/35/804573535.db2.gz HYUVEBVENKWBAL-YPMHNXCESA-N 2 2 298.352 3.204 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874013 804573539 /nfs/dbraw/zinc/57/35/39/804573539.db2.gz HYUVEBVENKWBAL-YPMHNXCESA-N 2 2 298.352 3.204 20 0 CGADLP c1cn2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cc2[nH+]1 ZINC001141046086 804578569 /nfs/dbraw/zinc/57/85/69/804578569.db2.gz LMZRCNAWOMFIQQ-HUUCEWRRSA-N 2 2 255.365 3.099 20 0 CGADLP c1cn2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2[nH+]1 ZINC001141046086 804578573 /nfs/dbraw/zinc/57/85/73/804578573.db2.gz LMZRCNAWOMFIQQ-HUUCEWRRSA-N 2 2 255.365 3.099 20 0 CGADLP c1ccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246924470 804604325 /nfs/dbraw/zinc/60/43/25/804604325.db2.gz MQJOCEJWVILHAI-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP c1ccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCCSC2)cc1 ZINC001246924470 804604328 /nfs/dbraw/zinc/60/43/28/804604328.db2.gz MQJOCEJWVILHAI-SJORKVTESA-N 2 2 290.476 3.136 20 0 CGADLP CC[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246939927 804610120 /nfs/dbraw/zinc/61/01/20/804610120.db2.gz WAULECSSCXVZRY-BBRMVZONSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246939927 804610124 /nfs/dbraw/zinc/61/01/24/804610124.db2.gz WAULECSSCXVZRY-BBRMVZONSA-N 2 2 264.388 3.178 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953886 804618162 /nfs/dbraw/zinc/61/81/62/804618162.db2.gz UQDLBLVMNAYOLQ-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CCC[NH2+]C2)C1 ZINC001246953886 804618164 /nfs/dbraw/zinc/61/81/64/804618164.db2.gz UQDLBLVMNAYOLQ-JQHSSLGASA-N 2 2 287.451 3.214 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246962740 804619418 /nfs/dbraw/zinc/61/94/18/804619418.db2.gz KNPMRWQKTBACON-TVFCKZIOSA-N 2 2 299.462 3.070 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+](Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246962740 804619422 /nfs/dbraw/zinc/61/94/22/804619422.db2.gz KNPMRWQKTBACON-TVFCKZIOSA-N 2 2 299.462 3.070 20 0 CGADLP CCCCC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236686 804621161 /nfs/dbraw/zinc/62/11/61/804621161.db2.gz GJPVYTHSULXTOO-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP CCCCC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236686 804621162 /nfs/dbraw/zinc/62/11/62/804621162.db2.gz GJPVYTHSULXTOO-UHFFFAOYSA-N 2 2 257.381 3.494 20 0 CGADLP c1cn2cc(C[NH+]3C4CCCC3CCC4)ccc2[nH+]1 ZINC001143033683 804796503 /nfs/dbraw/zinc/79/65/03/804796503.db2.gz DLHXYTTWFDOWFA-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256832066 806990029 /nfs/dbraw/zinc/99/00/29/806990029.db2.gz WCTKJPQCDVCZMN-ROUUACIJSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256832066 806990035 /nfs/dbraw/zinc/99/00/35/806990035.db2.gz WCTKJPQCDVCZMN-ROUUACIJSA-N 2 2 299.418 3.125 20 0 CGADLP CC[N@H+](Cc1cc(Cl)cc(OC)c1)C1CC[NH+](C)CC1 ZINC001144488189 804994672 /nfs/dbraw/zinc/99/46/72/804994672.db2.gz VYKGXGYURDRIMT-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)cc(OC)c1)C1CC[NH+](C)CC1 ZINC001144488189 804994674 /nfs/dbraw/zinc/99/46/74/804994674.db2.gz VYKGXGYURDRIMT-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(OC)c1 ZINC001144489607 804994723 /nfs/dbraw/zinc/99/47/23/804994723.db2.gz KWCJAALQZICUJQ-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(OC)c1 ZINC001144489607 804994726 /nfs/dbraw/zinc/99/47/26/804994726.db2.gz KWCJAALQZICUJQ-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cs1 ZINC001248804162 804997529 /nfs/dbraw/zinc/99/75/29/804997529.db2.gz PJRGGYJWXOUOCO-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cs1 ZINC001248804162 804997532 /nfs/dbraw/zinc/99/75/32/804997532.db2.gz PJRGGYJWXOUOCO-UHFFFAOYSA-N 2 2 264.438 3.115 20 0 CGADLP CC(C)[N@H+](Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC001249459219 805153566 /nfs/dbraw/zinc/15/35/66/805153566.db2.gz LRSZVXQIDCILIO-UHFFFAOYSA-N 2 2 286.463 3.480 20 0 CGADLP CC(C)[N@@H+](Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC001249459219 805153568 /nfs/dbraw/zinc/15/35/68/805153568.db2.gz LRSZVXQIDCILIO-UHFFFAOYSA-N 2 2 286.463 3.480 20 0 CGADLP COc1ccc2ccc(NC[C@@H]3CCC[NH2+]C[C@H]3C)[nH+]c2c1 ZINC001155024151 805525111 /nfs/dbraw/zinc/52/51/11/805525111.db2.gz GOEISWMWVWUIDG-HIFRSBDPSA-N 2 2 299.418 3.291 20 0 CGADLP CC(C)[NH+]1CCC(CNc2ccc3[nH+]cn(C)c3c2)CC1 ZINC001166615918 807069177 /nfs/dbraw/zinc/06/91/77/807069177.db2.gz OMWWTBBHMFRBGP-UHFFFAOYSA-N 2 2 286.423 3.106 20 0 CGADLP CCC[C@@H](CC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257272290 807085255 /nfs/dbraw/zinc/08/52/55/807085255.db2.gz VTAXTZCNNAGBFV-CQSZACIVSA-N 2 2 261.413 3.219 20 0 CGADLP CCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257317276 807103086 /nfs/dbraw/zinc/10/30/86/807103086.db2.gz LYMRIDWNNVXHFW-CQSZACIVSA-N 2 2 292.471 3.072 20 0 CGADLP CCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001257317276 807103091 /nfs/dbraw/zinc/10/30/91/807103091.db2.gz LYMRIDWNNVXHFW-CQSZACIVSA-N 2 2 292.471 3.072 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NCc2ccc(N)[nH+]c2C)[nH+]1 ZINC001167782744 807250532 /nfs/dbraw/zinc/25/05/32/807250532.db2.gz ZDQOQXHEPGSKCF-UHFFFAOYSA-N 2 2 296.296 3.307 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001167838359 807258375 /nfs/dbraw/zinc/25/83/75/807258375.db2.gz TXYCLXWYLXMAIP-HOTGVXAUSA-N 3 2 292.471 3.033 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccn1 ZINC001167961904 807287865 /nfs/dbraw/zinc/28/78/65/807287865.db2.gz QGRLKAVDSLTTBJ-LNRIEFBSSA-N 2 2 285.435 3.138 20 0 CGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccn1 ZINC001167961904 807287870 /nfs/dbraw/zinc/28/78/70/807287870.db2.gz QGRLKAVDSLTTBJ-LNRIEFBSSA-N 2 2 285.435 3.138 20 0 CGADLP CC1(Nc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)CC[NH2+]CC1 ZINC001168186570 807338342 /nfs/dbraw/zinc/33/83/42/807338342.db2.gz DAPKVGHCBZQPCC-UHFFFAOYSA-N 2 2 299.340 3.230 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001258279607 807391283 /nfs/dbraw/zinc/39/12/83/807391283.db2.gz LDGPBVWTPJXHFQ-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001258279607 807391290 /nfs/dbraw/zinc/39/12/90/807391290.db2.gz LDGPBVWTPJXHFQ-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP CC1(C)CCC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001258290879 807398711 /nfs/dbraw/zinc/39/87/11/807398711.db2.gz YMCVMBLMJNAQHB-KBPBESRZSA-N 2 2 261.413 3.491 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001168438367 807413889 /nfs/dbraw/zinc/41/38/89/807413889.db2.gz AIUSHWZUZMAFNO-DOTOQJQBSA-N 2 2 299.393 3.219 20 0 CGADLP CCC1(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)C[NH2+]C1 ZINC001168583443 807452056 /nfs/dbraw/zinc/45/20/56/807452056.db2.gz LQGXINYVTYWHTN-UHFFFAOYSA-N 2 2 292.386 3.189 20 0 CGADLP CC(C)Oc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc[nH+]1 ZINC001168601114 807453976 /nfs/dbraw/zinc/45/39/76/807453976.db2.gz IHIFNNFCCHQMEF-GJZGRUSLSA-N 2 2 277.412 3.154 20 0 CGADLP C[C@H](CC1CC1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001258456883 807461625 /nfs/dbraw/zinc/46/16/25/807461625.db2.gz RMBRXGIYTJKFHW-GFCCVEGCSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1C[NH+](C)C1 ZINC001258678437 807539843 /nfs/dbraw/zinc/53/98/43/807539843.db2.gz GYSMFZMEWXDERZ-JTQLQIEISA-N 2 2 287.234 3.076 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1C ZINC001258711088 807564120 /nfs/dbraw/zinc/56/41/20/807564120.db2.gz ZKUXRVVBUYIHHP-KRWDZBQOSA-N 2 2 285.435 3.354 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001169098577 807575233 /nfs/dbraw/zinc/57/52/33/807575233.db2.gz IPYFWTYIIZHQMB-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C2 ZINC001169098577 807575237 /nfs/dbraw/zinc/57/52/37/807575237.db2.gz IPYFWTYIIZHQMB-BTTYYORXSA-N 2 2 282.790 3.194 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169106898 807578642 /nfs/dbraw/zinc/57/86/42/807578642.db2.gz AUZNGKZQOXJOIX-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106898 807578646 /nfs/dbraw/zinc/57/86/46/807578646.db2.gz AUZNGKZQOXJOIX-FQUUOJAGSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258743512 807587035 /nfs/dbraw/zinc/58/70/35/807587035.db2.gz FXCIGRGLRPXQNK-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258743512 807587041 /nfs/dbraw/zinc/58/70/41/807587041.db2.gz FXCIGRGLRPXQNK-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001258815327 807633047 /nfs/dbraw/zinc/63/30/47/807633047.db2.gz USUJHRUWXCRBSQ-IMJJTQAJSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001258815327 807633049 /nfs/dbraw/zinc/63/30/49/807633049.db2.gz USUJHRUWXCRBSQ-IMJJTQAJSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C1 ZINC001258831060 807647177 /nfs/dbraw/zinc/64/71/77/807647177.db2.gz YSPVZCSWXVSCPN-DZGCQCFKSA-N 2 2 291.414 3.358 20 0 CGADLP CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001169496620 807653561 /nfs/dbraw/zinc/65/35/61/807653561.db2.gz UPYXSVNWBQLNMN-GDBMZVCRSA-N 2 2 269.392 3.493 20 0 CGADLP CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001169496620 807653567 /nfs/dbraw/zinc/65/35/67/807653567.db2.gz UPYXSVNWBQLNMN-GDBMZVCRSA-N 2 2 269.392 3.493 20 0 CGADLP Cc1cc(NCC23CC[NH+](CC2)CC3)[nH+]cc1C(F)(F)F ZINC001169794055 807709083 /nfs/dbraw/zinc/70/90/83/807709083.db2.gz FEXFTJYHAPKIPI-UHFFFAOYSA-N 2 2 299.340 3.307 20 0 CGADLP c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n(C2CC2)c1 ZINC001261254796 807720381 /nfs/dbraw/zinc/72/03/81/807720381.db2.gz CHANJZIZOQDDHZ-UHFFFAOYSA-N 2 2 292.386 3.299 20 0 CGADLP Cc1[nH+]cc(Nc2cccc3[nH+]c(C)ccc23)n1C ZINC001212796890 815142117 /nfs/dbraw/zinc/14/21/17/815142117.db2.gz KTVGFTHTJBPEEE-UHFFFAOYSA-N 2 2 252.321 3.329 20 0 CGADLP CC(C)CCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001170074583 807748051 /nfs/dbraw/zinc/74/80/51/807748051.db2.gz VFEQEJGROHVQKI-AWEZNQCLSA-N 2 2 250.386 3.265 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CCOc1cc[nH+]cc1 ZINC001170266857 807808554 /nfs/dbraw/zinc/80/85/54/807808554.db2.gz QVPNZBWHBZOCKD-ZDUSSCGKSA-N 2 2 290.794 3.335 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171034211 807966920 /nfs/dbraw/zinc/96/69/20/807966920.db2.gz SRTXASLJILWXMC-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171034211 807966926 /nfs/dbraw/zinc/96/69/26/807966926.db2.gz SRTXASLJILWXMC-HNNXBMFYSA-N 2 2 292.854 3.223 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092932 807981077 /nfs/dbraw/zinc/98/10/77/807981077.db2.gz BJEQWPZYXRVQKD-SJORKVTESA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171092932 807981079 /nfs/dbraw/zinc/98/10/79/807981079.db2.gz BJEQWPZYXRVQKD-SJORKVTESA-N 2 2 292.854 3.270 20 0 CGADLP C/C(=C\C=C\[NH3+])n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171168047 808000246 /nfs/dbraw/zinc/00/02/46/808000246.db2.gz ISYDBAQMUFUGIA-IUIWJUSBSA-N 2 2 269.392 3.173 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398271 808045947 /nfs/dbraw/zinc/04/59/47/808045947.db2.gz WXWSUYHCJHIOJB-HNNXBMFYSA-N 2 2 278.415 3.005 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398271 808045949 /nfs/dbraw/zinc/04/59/49/808045949.db2.gz WXWSUYHCJHIOJB-HNNXBMFYSA-N 2 2 278.415 3.005 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001171561346 808096241 /nfs/dbraw/zinc/09/62/41/808096241.db2.gz XSOSCMHYRVZFNS-IRXDYDNUSA-N 2 2 284.447 3.069 20 0 CGADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001171561346 808096248 /nfs/dbraw/zinc/09/62/48/808096248.db2.gz XSOSCMHYRVZFNS-IRXDYDNUSA-N 2 2 284.447 3.069 20 0 CGADLP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1(C)C ZINC001171629867 808107585 /nfs/dbraw/zinc/10/75/85/808107585.db2.gz XSXAJBXUAXNJAP-HOCLYGCPSA-N 2 2 294.483 3.139 20 0 CGADLP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1(C)C ZINC001171629867 808107587 /nfs/dbraw/zinc/10/75/87/808107587.db2.gz XSXAJBXUAXNJAP-HOCLYGCPSA-N 2 2 294.483 3.139 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1 ZINC001171658025 808114704 /nfs/dbraw/zinc/11/47/04/808114704.db2.gz NGTUWHQVIBDNPQ-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1 ZINC001171658025 808114708 /nfs/dbraw/zinc/11/47/08/808114708.db2.gz NGTUWHQVIBDNPQ-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP CC[NH+](CC)C1CC[NH+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171804740 808144064 /nfs/dbraw/zinc/14/40/64/808144064.db2.gz HWKJITNWLXGVRP-MRXNPFEDSA-N 2 2 290.426 3.099 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC001172101644 808171634 /nfs/dbraw/zinc/17/16/34/808171634.db2.gz GSVNAWARXCOETC-DOERSZECSA-N 2 2 279.453 3.117 20 0 CGADLP Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC001172101644 808171640 /nfs/dbraw/zinc/17/16/40/808171640.db2.gz GSVNAWARXCOETC-DOERSZECSA-N 2 2 279.453 3.117 20 0 CGADLP c1cn(C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)c[nH+]1 ZINC001172207049 808199506 /nfs/dbraw/zinc/19/95/06/808199506.db2.gz WBVWZWVFAXEHEM-MRXNPFEDSA-N 2 2 299.443 3.237 20 0 CGADLP C[N@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172556004 808385466 /nfs/dbraw/zinc/38/54/66/808385466.db2.gz HEHVZVGSCWPTAR-AEFFLSMTSA-N 2 2 272.436 3.349 20 0 CGADLP C[N@@H+]([C@H]1CC[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001172556004 808385469 /nfs/dbraw/zinc/38/54/69/808385469.db2.gz HEHVZVGSCWPTAR-AEFFLSMTSA-N 2 2 272.436 3.349 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172816424 808443413 /nfs/dbraw/zinc/44/34/13/808443413.db2.gz IKVZMASWKCYYBK-ZLPCBKJTSA-N 2 2 274.452 3.328 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172837145 808453352 /nfs/dbraw/zinc/45/33/52/808453352.db2.gz FHEYNDSHSNELQJ-GFCCVEGCSA-N 2 2 286.822 3.342 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172864663 808468651 /nfs/dbraw/zinc/46/86/51/808468651.db2.gz ZSDDYMKITIMBQK-OLZOCXBDSA-N 2 2 298.833 3.484 20 0 CGADLP Cn1cc[nH+]c1CC[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117821 808516025 /nfs/dbraw/zinc/51/60/25/808516025.db2.gz NPIDADJVCQTZRW-UHFFFAOYSA-N 2 2 275.440 3.445 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001173242390 808550346 /nfs/dbraw/zinc/55/03/46/808550346.db2.gz CWHOWHBROIUBKE-MRXNPFEDSA-N 2 2 285.435 3.399 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001173242390 808550352 /nfs/dbraw/zinc/55/03/52/808550352.db2.gz CWHOWHBROIUBKE-MRXNPFEDSA-N 2 2 285.435 3.399 20 0 CGADLP CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001173245006 808552390 /nfs/dbraw/zinc/55/23/90/808552390.db2.gz FXIJWLWFPPVXLI-SNRMKQJTSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001173245006 808552395 /nfs/dbraw/zinc/55/23/95/808552395.db2.gz FXIJWLWFPPVXLI-SNRMKQJTSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001173245006 808552403 /nfs/dbraw/zinc/55/24/03/808552403.db2.gz FXIJWLWFPPVXLI-SNRMKQJTSA-N 2 2 286.463 3.206 20 0 CGADLP CCc1ccc(C[C@H](C)[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001173245006 808552406 /nfs/dbraw/zinc/55/24/06/808552406.db2.gz FXIJWLWFPPVXLI-SNRMKQJTSA-N 2 2 286.463 3.206 20 0 CGADLP c1cn(CC[NH2+]C2CCC3(CCc4ccccc43)CC2)c[nH+]1 ZINC001173683573 808663835 /nfs/dbraw/zinc/66/38/35/808663835.db2.gz BRQFNWYZTVOEQV-UHFFFAOYSA-N 2 2 295.430 3.300 20 0 CGADLP Cn1c[nH+]c2cc(Nc3ccccc3C[NH+](C)C)ccc21 ZINC001173931480 808771002 /nfs/dbraw/zinc/77/10/02/808771002.db2.gz KKTOKBCVBQCYQV-UHFFFAOYSA-N 2 2 280.375 3.379 20 0 CGADLP Cc1ccc2[nH+]c(N)n(-c3cc[nH+]c4ccccc43)c2c1 ZINC001174036623 808834331 /nfs/dbraw/zinc/83/43/31/808834331.db2.gz ASRQMOSHZWLNAD-UHFFFAOYSA-N 2 2 274.327 3.464 20 0 CGADLP CSc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001275731977 808961703 /nfs/dbraw/zinc/96/17/03/808961703.db2.gz NXUZOHAOWRRMEO-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001275731977 808961706 /nfs/dbraw/zinc/96/17/06/808961706.db2.gz NXUZOHAOWRRMEO-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC001275731977 808961710 /nfs/dbraw/zinc/96/17/10/808961710.db2.gz NXUZOHAOWRRMEO-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP CSc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001275731977 808961715 /nfs/dbraw/zinc/96/17/15/808961715.db2.gz NXUZOHAOWRRMEO-OAHLLOKOSA-N 2 2 296.505 3.388 20 0 CGADLP c1c[nH]c(C[N@H+]2CCC3(C[NH+](CCC4CCCC4)C3)C2)c1 ZINC001276511389 809014315 /nfs/dbraw/zinc/01/43/15/809014315.db2.gz BPOLPIWYRGTIKG-UHFFFAOYSA-N 2 2 287.451 3.103 20 0 CGADLP c1c[nH]c(C[N@@H+]2CCC3(C[NH+](CCC4CCCC4)C3)C2)c1 ZINC001276511389 809014322 /nfs/dbraw/zinc/01/43/22/809014322.db2.gz BPOLPIWYRGTIKG-UHFFFAOYSA-N 2 2 287.451 3.103 20 0 CGADLP Cc1cc(C)c(Nc2ccnn2-c2cc[nH+]cc2)c[nH+]1 ZINC001213510736 815293199 /nfs/dbraw/zinc/29/31/99/815293199.db2.gz ICPXZNZAYOHTNT-UHFFFAOYSA-N 2 2 265.320 3.023 20 0 CGADLP Cc1coc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001177217354 809787892 /nfs/dbraw/zinc/78/78/92/809787892.db2.gz OUJWCSDCFDSIBJ-UHFFFAOYSA-N 2 2 281.359 3.123 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCc2ccccc2CC1 ZINC001177222466 809788385 /nfs/dbraw/zinc/78/83/85/809788385.db2.gz KSOKHPXUEKMCET-MRXNPFEDSA-N 2 2 286.463 3.398 20 0 CGADLP CC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001178778504 809887593 /nfs/dbraw/zinc/88/75/93/809887593.db2.gz OAUHNRMWIFASAL-JCYILVPMSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001178778504 809887597 /nfs/dbraw/zinc/88/75/97/809887597.db2.gz OAUHNRMWIFASAL-JCYILVPMSA-N 2 2 296.499 3.028 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182844174 810126661 /nfs/dbraw/zinc/12/66/61/810126661.db2.gz KUOAJNKPBYRUPH-JKSUJKDBSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001182844174 810126664 /nfs/dbraw/zinc/12/66/64/810126664.db2.gz KUOAJNKPBYRUPH-JKSUJKDBSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1CCc2ccccc21 ZINC001182874874 810128439 /nfs/dbraw/zinc/12/84/39/810128439.db2.gz VCJORMWWVDDUAP-SJLPKXTDSA-N 2 2 286.463 3.426 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC001183146649 810138026 /nfs/dbraw/zinc/13/80/26/810138026.db2.gz ZIWWPNSXANYYKC-BZSNNMDCSA-N 2 2 272.436 3.315 20 0 CGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC001183146649 810138027 /nfs/dbraw/zinc/13/80/27/810138027.db2.gz ZIWWPNSXANYYKC-BZSNNMDCSA-N 2 2 272.436 3.315 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+]CC(C)(C)[NH+](C)C ZINC001198934875 811552033 /nfs/dbraw/zinc/55/20/33/811552033.db2.gz FSRFTJSIMCEJEP-OAHLLOKOSA-N 2 2 262.441 3.185 20 0 CGADLP CC(C)[NH2+]c1ccc(Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC001201486892 811860788 /nfs/dbraw/zinc/86/07/88/811860788.db2.gz AVDKNLDIMFYGAQ-UHFFFAOYSA-N 2 2 287.411 3.009 20 0 CGADLP C[C@@H](CC[NH2+]Cc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC001201963441 811986982 /nfs/dbraw/zinc/98/69/82/811986982.db2.gz PXYYVEYELNPGBG-ZDUSSCGKSA-N 2 2 282.378 3.319 20 0 CGADLP C[NH+]1CCC([N@H+](CCC2CCOCC2)C2CCCC2)CC1 ZINC001202683704 812150703 /nfs/dbraw/zinc/15/07/03/812150703.db2.gz HXXPUSAEGBXXND-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+]1CCC([N@@H+](CCC2CCOCC2)C2CCCC2)CC1 ZINC001202683704 812150707 /nfs/dbraw/zinc/15/07/07/812150707.db2.gz HXXPUSAEGBXXND-UHFFFAOYSA-N 2 2 294.483 3.142 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1C ZINC001203752063 812453563 /nfs/dbraw/zinc/45/35/63/812453563.db2.gz PWLNQCOCBLJYRH-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1C ZINC001203752063 812453565 /nfs/dbraw/zinc/45/35/65/812453565.db2.gz PWLNQCOCBLJYRH-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001203794918 812464200 /nfs/dbraw/zinc/46/42/00/812464200.db2.gz IRFGLLHUYCMTQU-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1F ZINC001203794918 812464204 /nfs/dbraw/zinc/46/42/04/812464204.db2.gz IRFGLLHUYCMTQU-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP FC1CC[NH+](C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001204016014 812519465 /nfs/dbraw/zinc/51/94/65/812519465.db2.gz SFNVBZPNJVSMCY-UHFFFAOYSA-N 2 2 282.428 3.146 20 0 CGADLP COc1cc2[nH+]c[nH]c2cc1-c1ccc(C[NH+](C)C)cc1 ZINC001204639125 812697724 /nfs/dbraw/zinc/69/77/24/812697724.db2.gz XJUAABNIGBHBOX-UHFFFAOYSA-N 2 2 281.359 3.300 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(-c3ccsc3)c2)CC12CC2 ZINC001204904507 812770417 /nfs/dbraw/zinc/77/04/17/812770417.db2.gz RNTDBEMIRMCOBZ-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(-c3ccsc3)c2)CC12CC2 ZINC001204904507 812770423 /nfs/dbraw/zinc/77/04/23/812770423.db2.gz RNTDBEMIRMCOBZ-MRXNPFEDSA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001204933512 812783691 /nfs/dbraw/zinc/78/36/91/812783691.db2.gz VDXQJYBNKZZQMR-CQSZACIVSA-N 2 2 287.382 3.134 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001204933512 812783695 /nfs/dbraw/zinc/78/36/95/812783695.db2.gz VDXQJYBNKZZQMR-CQSZACIVSA-N 2 2 287.382 3.134 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204940152 812788037 /nfs/dbraw/zinc/78/80/37/812788037.db2.gz VVGVPUAKLNEQDB-QGZVFWFLSA-N 2 2 276.424 3.179 20 0 CGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204940152 812788044 /nfs/dbraw/zinc/78/80/44/812788044.db2.gz VVGVPUAKLNEQDB-QGZVFWFLSA-N 2 2 276.424 3.179 20 0 CGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001204944773 812790853 /nfs/dbraw/zinc/79/08/53/812790853.db2.gz BSOOVOHHIGAOMJ-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001204944773 812790855 /nfs/dbraw/zinc/79/08/55/812790855.db2.gz BSOOVOHHIGAOMJ-HNNXBMFYSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001205094786 812860936 /nfs/dbraw/zinc/86/09/36/812860936.db2.gz PLXOXKHEFBCXRL-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)CC1 ZINC001205094786 812860941 /nfs/dbraw/zinc/86/09/41/812860941.db2.gz PLXOXKHEFBCXRL-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205124598 812878645 /nfs/dbraw/zinc/87/86/45/812878645.db2.gz WDFLWSIASYVOQS-CYBMUJFWSA-N 2 2 270.779 3.101 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205124598 812878652 /nfs/dbraw/zinc/87/86/52/812878652.db2.gz WDFLWSIASYVOQS-CYBMUJFWSA-N 2 2 270.779 3.101 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205263953 812921248 /nfs/dbraw/zinc/92/12/48/812921248.db2.gz GFVUPLDIIVXOLI-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205263953 812921254 /nfs/dbraw/zinc/92/12/54/812921254.db2.gz GFVUPLDIIVXOLI-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001205541954 812998303 /nfs/dbraw/zinc/99/83/03/812998303.db2.gz VDRDPOQYMSPVRI-CVEARBPZSA-N 2 2 296.499 3.292 20 0 CGADLP CCC1(CC)[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1OC ZINC001205541954 812998313 /nfs/dbraw/zinc/99/83/13/812998313.db2.gz VDRDPOQYMSPVRI-CVEARBPZSA-N 2 2 296.499 3.292 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852048 813108659 /nfs/dbraw/zinc/10/86/59/813108659.db2.gz DRSVXDRUQLEISQ-CZUORRHYSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001205852048 813108665 /nfs/dbraw/zinc/10/86/65/813108665.db2.gz DRSVXDRUQLEISQ-CZUORRHYSA-N 2 2 284.403 3.105 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901777 813125337 /nfs/dbraw/zinc/12/53/37/813125337.db2.gz GERDFLWFOGUZJA-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC001205901777 813125341 /nfs/dbraw/zinc/12/53/41/813125341.db2.gz GERDFLWFOGUZJA-ZYHUDNBSSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)nc1C ZINC001206582914 813361844 /nfs/dbraw/zinc/36/18/44/813361844.db2.gz QAKDUJYQUWZMOA-INIZCTEOSA-N 2 2 295.858 3.303 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)nc1C ZINC001206582914 813361851 /nfs/dbraw/zinc/36/18/51/813361851.db2.gz QAKDUJYQUWZMOA-INIZCTEOSA-N 2 2 295.858 3.303 20 0 CGADLP COc1cccc(F)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206588988 813365912 /nfs/dbraw/zinc/36/59/12/813365912.db2.gz FCJTZYXUOXQFAH-CQSZACIVSA-N 2 2 294.414 3.187 20 0 CGADLP COc1cccc(F)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206588988 813365919 /nfs/dbraw/zinc/36/59/19/813365919.db2.gz FCJTZYXUOXQFAH-CQSZACIVSA-N 2 2 294.414 3.187 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCCc1ccc(F)c(F)c1 ZINC001206628543 813380245 /nfs/dbraw/zinc/38/02/45/813380245.db2.gz HQSKROVFPUKCOC-AWEZNQCLSA-N 2 2 296.405 3.360 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCCc1ccc(F)c(F)c1 ZINC001206628543 813380250 /nfs/dbraw/zinc/38/02/50/813380250.db2.gz HQSKROVFPUKCOC-AWEZNQCLSA-N 2 2 296.405 3.360 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001206724006 813408637 /nfs/dbraw/zinc/40/86/37/813408637.db2.gz ZAQJXYDVQYXYIC-UHFFFAOYSA-N 2 2 278.399 3.038 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812603 813445334 /nfs/dbraw/zinc/44/53/34/813445334.db2.gz ZUHSLHXOWUOKTQ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206812603 813445340 /nfs/dbraw/zinc/44/53/40/813445340.db2.gz ZUHSLHXOWUOKTQ-VXGBXAGGSA-N 2 2 284.806 3.347 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207057818 813474125 /nfs/dbraw/zinc/47/41/25/813474125.db2.gz LRECTRQTMRHFSP-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC001207057818 813474132 /nfs/dbraw/zinc/47/41/32/813474132.db2.gz LRECTRQTMRHFSP-ORQFMDKSSA-N 2 2 262.441 3.172 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCCC1 ZINC001207057806 813474834 /nfs/dbraw/zinc/47/48/34/813474834.db2.gz LKXWAYXXMCRYOW-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC001207057806 813474838 /nfs/dbraw/zinc/47/48/38/813474838.db2.gz LKXWAYXXMCRYOW-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633816 813622373 /nfs/dbraw/zinc/62/23/73/813622373.db2.gz APVOLKWMHLWIBR-VVLHAWIVSA-N 2 2 284.403 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633816 813622381 /nfs/dbraw/zinc/62/23/81/813622381.db2.gz APVOLKWMHLWIBR-VVLHAWIVSA-N 2 2 284.403 3.055 20 0 CGADLP CC(C)[N@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207636207 813624747 /nfs/dbraw/zinc/62/47/47/813624747.db2.gz SMDORQBGXRLQFP-ARFHVFGLSA-N 2 2 262.441 3.003 20 0 CGADLP CC(C)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207636207 813624753 /nfs/dbraw/zinc/62/47/53/813624753.db2.gz SMDORQBGXRLQFP-ARFHVFGLSA-N 2 2 262.441 3.003 20 0 CGADLP COCC[N@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208661308 813784402 /nfs/dbraw/zinc/78/44/02/813784402.db2.gz ULYZMZFFBJKQCU-MRXNPFEDSA-N 2 2 298.515 3.491 20 0 CGADLP COCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208661308 813784406 /nfs/dbraw/zinc/78/44/06/813784406.db2.gz ULYZMZFFBJKQCU-MRXNPFEDSA-N 2 2 298.515 3.491 20 0 CGADLP Cc1cc(N)[nH+]cc1Nc1cccc2cc[nH+]cc21 ZINC001209966504 814218318 /nfs/dbraw/zinc/21/83/18/814218318.db2.gz CQXAZNFNAGHJEN-UHFFFAOYSA-N 2 2 250.305 3.264 20 0 CGADLP Cc1[nH+]cc(Nc2ccccc2C[NH+]2CCCC2)cc1N ZINC001210287988 814383466 /nfs/dbraw/zinc/38/34/66/814383466.db2.gz KSOCHDSTKDDXLN-UHFFFAOYSA-N 2 2 282.391 3.312 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(C)(C)C)cc2)CC[NH2+]1 ZINC001210495750 814489413 /nfs/dbraw/zinc/48/94/13/814489413.db2.gz BKUYCRZIERXPLB-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)(C)C)cc2)CC[NH2+]1 ZINC001210495750 814489415 /nfs/dbraw/zinc/48/94/15/814489415.db2.gz BKUYCRZIERXPLB-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP CCCCCCOc1ccccc1C[NH+]1CC(C[NH3+])C1 ZINC001210545787 814518021 /nfs/dbraw/zinc/51/80/21/814518021.db2.gz RAYODHMAEFLYML-UHFFFAOYSA-N 2 2 276.424 3.036 20 0 CGADLP Cn1c[nH+]cc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001211246705 814859033 /nfs/dbraw/zinc/85/90/33/814859033.db2.gz MGHLTKFYYGMWRH-UHFFFAOYSA-N 2 2 250.305 3.226 20 0 CGADLP CN(C)c1ccc(Nc2cccc(C[NH+](C)C)c2F)c[nH+]1 ZINC001216226940 815745970 /nfs/dbraw/zinc/74/59/70/815745970.db2.gz HYYFHYVIQBLBIK-UHFFFAOYSA-N 2 2 288.370 3.092 20 0 CGADLP CNc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc[nH+]1 ZINC001216334361 815788656 /nfs/dbraw/zinc/78/86/56/815788656.db2.gz BLYSVZXQPSVDEB-UHFFFAOYSA-N 2 2 279.347 3.112 20 0 CGADLP c1ccc(CCCCC[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192668 816371624 /nfs/dbraw/zinc/37/16/24/816371624.db2.gz YKSUZMHJJAEIBB-SFHVURJKSA-N 2 2 272.436 3.227 20 0 CGADLP c1ccc(CCCCC[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001222192668 816371632 /nfs/dbraw/zinc/37/16/32/816371632.db2.gz YKSUZMHJJAEIBB-SFHVURJKSA-N 2 2 272.436 3.227 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222258686 816388567 /nfs/dbraw/zinc/38/85/67/816388567.db2.gz FHJQXTPERTVLAJ-KRWDZBQOSA-N 2 2 290.476 3.435 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222258686 816388578 /nfs/dbraw/zinc/38/85/78/816388578.db2.gz FHJQXTPERTVLAJ-KRWDZBQOSA-N 2 2 290.476 3.435 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222345508 816414126 /nfs/dbraw/zinc/41/41/26/816414126.db2.gz KVBMCZNIIWGOBS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c2c1 ZINC001222345508 816414131 /nfs/dbraw/zinc/41/41/31/816414131.db2.gz KVBMCZNIIWGOBS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Oc1ccc2cc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222346338 816415769 /nfs/dbraw/zinc/41/57/69/816415769.db2.gz QJRSINGZLLZMQT-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP Oc1ccc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)ccc2c1 ZINC001222346338 816415772 /nfs/dbraw/zinc/41/57/72/816415772.db2.gz QJRSINGZLLZMQT-IBGZPJMESA-N 2 2 296.414 3.263 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360152 816418778 /nfs/dbraw/zinc/41/87/78/816418778.db2.gz HYDBYTWRCNODSE-JXCVUKRWSA-N 2 2 294.483 3.358 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360152 816418784 /nfs/dbraw/zinc/41/87/84/816418784.db2.gz HYDBYTWRCNODSE-JXCVUKRWSA-N 2 2 294.483 3.358 20 0 CGADLP Fc1ccc(-c2ccccc2C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222380001 816423175 /nfs/dbraw/zinc/42/31/75/816423175.db2.gz PTJJZKZYJNTJHV-UHFFFAOYSA-N 2 2 296.389 3.288 20 0 CGADLP CCc1cccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222390649 816428512 /nfs/dbraw/zinc/42/85/12/816428512.db2.gz SVMURQLIFIGIRD-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCc1cccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222390649 816428518 /nfs/dbraw/zinc/42/85/18/816428518.db2.gz SVMURQLIFIGIRD-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP COc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222395270 816431058 /nfs/dbraw/zinc/43/10/58/816431058.db2.gz JNNBUEWSBONTMP-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP COc1ccc(C)c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222395270 816431061 /nfs/dbraw/zinc/43/10/61/816431061.db2.gz JNNBUEWSBONTMP-GOSISDBHSA-N 2 2 288.435 3.112 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420573 816439886 /nfs/dbraw/zinc/43/98/86/816439886.db2.gz FDQVTGIBYQZIAR-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222420573 816439892 /nfs/dbraw/zinc/43/98/92/816439892.db2.gz FDQVTGIBYQZIAR-QGZVFWFLSA-N 2 2 292.854 3.491 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222471232 816452577 /nfs/dbraw/zinc/45/25/77/816452577.db2.gz NBVYGKFDOBLWDG-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222471232 816452582 /nfs/dbraw/zinc/45/25/82/816452582.db2.gz NBVYGKFDOBLWDG-SFHVURJKSA-N 2 2 272.436 3.357 20 0 CGADLP Cc1cc[nH+]c(N2CCC(Oc3c(C)cc[nH+]c3C)CC2)c1 ZINC001227264462 817612803 /nfs/dbraw/zinc/61/28/03/817612803.db2.gz MPIAEVMWNWYFCF-UHFFFAOYSA-N 2 2 297.402 3.450 20 0 CGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425246 818098255 /nfs/dbraw/zinc/09/82/55/818098255.db2.gz OKFQKBQPLMIKRB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425246 818098263 /nfs/dbraw/zinc/09/82/63/818098263.db2.gz OKFQKBQPLMIKRB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425246 818098273 /nfs/dbraw/zinc/09/82/73/818098273.db2.gz OKFQKBQPLMIKRB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(Cl)c3)C[C@@H]2C1 ZINC001231425246 818098283 /nfs/dbraw/zinc/09/82/83/818098283.db2.gz OKFQKBQPLMIKRB-IYBDPMFKSA-N 2 2 292.854 3.422 20 0 CGADLP C[N@H+](Cc1cccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001232232367 818285967 /nfs/dbraw/zinc/28/59/67/818285967.db2.gz OXGGUEQLXSBOOU-UHFFFAOYSA-N 2 2 297.446 3.062 20 0 CGADLP C[N@@H+](Cc1cccn1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001232232367 818285977 /nfs/dbraw/zinc/28/59/77/818285977.db2.gz OXGGUEQLXSBOOU-UHFFFAOYSA-N 2 2 297.446 3.062 20 0 CGADLP Cc1cccc(F)c1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232484383 818368069 /nfs/dbraw/zinc/36/80/69/818368069.db2.gz CEZXAJJYPRZLIA-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP Cc1cccc(F)c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232484383 818368071 /nfs/dbraw/zinc/36/80/71/818368071.db2.gz CEZXAJJYPRZLIA-UHFFFAOYSA-N 2 2 278.415 3.439 20 0 CGADLP CNc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001232667497 818414083 /nfs/dbraw/zinc/41/40/83/818414083.db2.gz YUGHIYJXOPLUAS-UHFFFAOYSA-N 2 2 287.451 3.179 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001233008391 818500345 /nfs/dbraw/zinc/50/03/45/818500345.db2.gz AGSLMIJJWWPDGA-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001233008391 818500354 /nfs/dbraw/zinc/50/03/54/818500354.db2.gz AGSLMIJJWWPDGA-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(Cc2ccccc2)cc1 ZINC001235005860 818975906 /nfs/dbraw/zinc/97/59/06/818975906.db2.gz HDNPOXASLTXDGW-UHFFFAOYSA-N 2 2 292.426 3.201 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(Cc2ccccc2)cc1 ZINC001235005860 818975912 /nfs/dbraw/zinc/97/59/12/818975912.db2.gz HDNPOXASLTXDGW-UHFFFAOYSA-N 2 2 292.426 3.201 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235066573 818995416 /nfs/dbraw/zinc/99/54/16/818995416.db2.gz STLBIYDIMPPACC-IBGZPJMESA-N 2 2 278.399 3.291 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001235066573 818995420 /nfs/dbraw/zinc/99/54/20/818995420.db2.gz STLBIYDIMPPACC-IBGZPJMESA-N 2 2 278.399 3.291 20 0 CGADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110168 819005463 /nfs/dbraw/zinc/00/54/63/819005463.db2.gz JBCSIWSNCHHUEK-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP c1sc2ccccc2c1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110168 819005468 /nfs/dbraw/zinc/00/54/68/819005468.db2.gz JBCSIWSNCHHUEK-MRXNPFEDSA-N 2 2 272.417 3.229 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235111075 819006050 /nfs/dbraw/zinc/00/60/50/819006050.db2.gz OLDALTWPAFKEPR-GOSISDBHSA-N 2 2 272.436 3.312 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235111075 819006054 /nfs/dbraw/zinc/00/60/54/819006054.db2.gz OLDALTWPAFKEPR-GOSISDBHSA-N 2 2 272.436 3.312 20 0 CGADLP c1ccn(-c2ccccc2C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235116947 819010173 /nfs/dbraw/zinc/01/01/73/819010173.db2.gz IIMKBPZTHBTKSA-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccccc2C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235116947 819010175 /nfs/dbraw/zinc/01/01/75/819010175.db2.gz IIMKBPZTHBTKSA-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235161915 819020163 /nfs/dbraw/zinc/02/01/63/819020163.db2.gz QGEUEDUZIMKCSC-BLLLJJGKSA-N 2 2 272.417 3.133 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235161915 819020167 /nfs/dbraw/zinc/02/01/67/819020167.db2.gz QGEUEDUZIMKCSC-BLLLJJGKSA-N 2 2 272.417 3.133 20 0 CGADLP c1cnc2cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001235167675 819020616 /nfs/dbraw/zinc/02/06/16/819020616.db2.gz MQQXUCNXCWYUMJ-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)ccc2c1 ZINC001235167675 819020621 /nfs/dbraw/zinc/02/06/21/819020621.db2.gz MQQXUCNXCWYUMJ-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cc2c(cc1C[N@@H+]1CCCC[C@@]13CCC[NH2+]C3)NCCC2 ZINC001235174321 819024304 /nfs/dbraw/zinc/02/43/04/819024304.db2.gz HEKACBDVSNSKOC-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1cc2c(cc1C[N@H+]1CCCC[C@@]13CCC[NH2+]C3)NCCC2 ZINC001235174321 819024310 /nfs/dbraw/zinc/02/43/10/819024310.db2.gz HEKACBDVSNSKOC-IBGZPJMESA-N 2 2 299.462 3.153 20 0 CGADLP c1ccc(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187576 819028353 /nfs/dbraw/zinc/02/83/53/819028353.db2.gz DGFUHHROTWOBPF-PKOBYXMFSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001235187576 819028360 /nfs/dbraw/zinc/02/83/60/819028360.db2.gz DGFUHHROTWOBPF-PKOBYXMFSA-N 2 2 278.399 3.147 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235189946 819030054 /nfs/dbraw/zinc/03/00/54/819030054.db2.gz APHDXHYKGPBVAZ-QOKNQOGYSA-N 2 2 280.415 3.237 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+][C@H]2C1)c1cccc2ccccc21 ZINC001235189946 819030061 /nfs/dbraw/zinc/03/00/61/819030061.db2.gz APHDXHYKGPBVAZ-QOKNQOGYSA-N 2 2 280.415 3.237 20 0 CGADLP Clc1cnc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235230763 819041804 /nfs/dbraw/zinc/04/18/04/819041804.db2.gz QPBBWTKJKMTUNL-LBPRGKRZSA-N 2 2 299.871 3.151 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248598 819047573 /nfs/dbraw/zinc/04/75/73/819047573.db2.gz WYRDLVMKIBZDGP-CRAIPNDOSA-N 2 2 288.435 3.177 20 0 CGADLP CC(C)(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248598 819047577 /nfs/dbraw/zinc/04/75/77/819047577.db2.gz WYRDLVMKIBZDGP-CRAIPNDOSA-N 2 2 288.435 3.177 20 0 CGADLP c1cc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cs1 ZINC001235261744 819055762 /nfs/dbraw/zinc/05/57/62/819055762.db2.gz PRSOSMPCSUBYJQ-DLBZAZTESA-N 2 2 284.428 3.209 20 0 CGADLP c1cc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)c2)cs1 ZINC001235261744 819055768 /nfs/dbraw/zinc/05/57/68/819055768.db2.gz PRSOSMPCSUBYJQ-DLBZAZTESA-N 2 2 284.428 3.209 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403108 819085512 /nfs/dbraw/zinc/08/55/12/819085512.db2.gz KKSVJWXULCWHOV-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235403108 819085518 /nfs/dbraw/zinc/08/55/18/819085518.db2.gz KKSVJWXULCWHOV-HOTGVXAUSA-N 2 2 296.817 3.172 20 0 CGADLP C[C@@H]([NH3+])C[NH+]1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001235681390 819140087 /nfs/dbraw/zinc/14/00/87/819140087.db2.gz ZFGYANQDWQNABS-LLVKDONJSA-N 2 2 286.341 3.232 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235709387 819146717 /nfs/dbraw/zinc/14/67/17/819146717.db2.gz GFWVNOSBDRDZKV-HZPDHXFCSA-N 2 2 296.842 3.058 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235709387 819146722 /nfs/dbraw/zinc/14/67/22/819146722.db2.gz GFWVNOSBDRDZKV-HZPDHXFCSA-N 2 2 296.842 3.058 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H]2C[NH3+])cc1C(C)C ZINC001235724968 819153237 /nfs/dbraw/zinc/15/32/37/819153237.db2.gz MDFFQZDFOJJLIX-HNNXBMFYSA-N 2 2 276.424 3.050 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[C@H]2C[NH3+])cc1C(C)C ZINC001235724968 819153245 /nfs/dbraw/zinc/15/32/45/819153245.db2.gz MDFFQZDFOJJLIX-HNNXBMFYSA-N 2 2 276.424 3.050 20 0 CGADLP C[N@H+](Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001235740766 819157217 /nfs/dbraw/zinc/15/72/17/819157217.db2.gz MMZPNJCWEBBBGF-KRWDZBQOSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001235740766 819157221 /nfs/dbraw/zinc/15/72/21/819157221.db2.gz MMZPNJCWEBBBGF-KRWDZBQOSA-N 2 2 266.388 3.147 20 0 CGADLP CC[N@H+](Cc1cc(Cl)c(F)cc1F)C1CC[NH2+]CC1 ZINC001235762959 819163236 /nfs/dbraw/zinc/16/32/36/819163236.db2.gz XPWMQGBBZWQSFL-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)c(F)cc1F)C1CC[NH2+]CC1 ZINC001235762959 819163241 /nfs/dbraw/zinc/16/32/41/819163241.db2.gz XPWMQGBBZWQSFL-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC[N@H+](Cc1c(C)cc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001235764441 819163594 /nfs/dbraw/zinc/16/35/94/819163594.db2.gz CVSCAPAHVJIGPI-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[N@@H+](Cc1c(C)cc(F)cc1Cl)C1CC[NH2+]CC1 ZINC001235764441 819163598 /nfs/dbraw/zinc/16/35/98/819163598.db2.gz CVSCAPAHVJIGPI-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[NH2+]CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919548 819220917 /nfs/dbraw/zinc/22/09/17/819220917.db2.gz ZMVWMPZZKGVDCS-ZDUSSCGKSA-N 2 2 286.341 3.104 20 0 CGADLP CC[NH2+]CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235919548 819220925 /nfs/dbraw/zinc/22/09/25/819220925.db2.gz ZMVWMPZZKGVDCS-ZDUSSCGKSA-N 2 2 286.341 3.104 20 0 CGADLP CC[N@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236005893 819271433 /nfs/dbraw/zinc/27/14/33/819271433.db2.gz GFPUBIKHHHVBIA-KRWDZBQOSA-N 2 2 284.403 3.119 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCC[NH2+]C1 ZINC001236005893 819271439 /nfs/dbraw/zinc/27/14/39/819271439.db2.gz GFPUBIKHHHVBIA-KRWDZBQOSA-N 2 2 284.403 3.119 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001236024999 819276315 /nfs/dbraw/zinc/27/63/15/819276315.db2.gz KBDYWSXYWUMHKK-SJLPKXTDSA-N 2 2 282.362 3.026 20 0 CGADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)c1)C2 ZINC001236024999 819276321 /nfs/dbraw/zinc/27/63/21/819276321.db2.gz KBDYWSXYWUMHKK-SJLPKXTDSA-N 2 2 282.362 3.026 20 0 CGADLP Cc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)cc2)c1 ZINC001236029326 819277302 /nfs/dbraw/zinc/27/73/02/819277302.db2.gz SIASOKQXGVHHHZ-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)cc2)c1 ZINC001236029326 819277305 /nfs/dbraw/zinc/27/73/05/819277305.db2.gz SIASOKQXGVHHHZ-RTBURBONSA-N 2 2 278.399 3.195 20 0 CGADLP CCCCOc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236043953 819282771 /nfs/dbraw/zinc/28/27/71/819282771.db2.gz GZWVRZUWEKJVKK-GOEBONIOSA-N 2 2 276.424 3.035 20 0 CGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236043953 819282777 /nfs/dbraw/zinc/28/27/77/819282777.db2.gz GZWVRZUWEKJVKK-GOEBONIOSA-N 2 2 276.424 3.035 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236143269 819343484 /nfs/dbraw/zinc/34/34/84/819343484.db2.gz HGNKXNMTVXOSED-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236143269 819343487 /nfs/dbraw/zinc/34/34/87/819343487.db2.gz HGNKXNMTVXOSED-UHFFFAOYSA-N 2 2 272.367 3.273 20 0 CGADLP C[N@H+](Cc1cccc2occc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236206790 819368454 /nfs/dbraw/zinc/36/84/54/819368454.db2.gz MKNJUFFLHGKKRG-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1cccc2occc21)[C@@]1(C)CCC[NH2+]C1 ZINC001236206790 819368458 /nfs/dbraw/zinc/36/84/58/819368458.db2.gz MKNJUFFLHGKKRG-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@H+](Cc1coc2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236206390 819369439 /nfs/dbraw/zinc/36/94/39/819369439.db2.gz KLQSEIVQRGOFPZ-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP C[N@@H+](Cc1coc2ccccc12)[C@@]1(C)CCC[NH2+]C1 ZINC001236206390 819369440 /nfs/dbraw/zinc/36/94/40/819369440.db2.gz KLQSEIVQRGOFPZ-INIZCTEOSA-N 2 2 258.365 3.007 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236208146 819370253 /nfs/dbraw/zinc/37/02/53/819370253.db2.gz SQPOEODMIGSJBW-SFHVURJKSA-N 2 2 274.452 3.459 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236208146 819370260 /nfs/dbraw/zinc/37/02/60/819370260.db2.gz SQPOEODMIGSJBW-SFHVURJKSA-N 2 2 274.452 3.459 20 0 CGADLP CCc1cccc2c(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236208319 819370561 /nfs/dbraw/zinc/37/05/61/819370561.db2.gz RMVWGXGGJPONSZ-GOSISDBHSA-N 2 2 285.435 3.304 20 0 CGADLP CCc1cccc2c(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c[nH]c21 ZINC001236208319 819370567 /nfs/dbraw/zinc/37/05/67/819370567.db2.gz RMVWGXGGJPONSZ-GOSISDBHSA-N 2 2 285.435 3.304 20 0 CGADLP C[N@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213225 819376489 /nfs/dbraw/zinc/37/64/89/819376489.db2.gz AOJMQGXKDLWYCT-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213225 819376495 /nfs/dbraw/zinc/37/64/95/819376495.db2.gz AOJMQGXKDLWYCT-KGLIPLIRSA-N 2 2 270.779 3.181 20 0 CGADLP Fc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2occc21 ZINC001236241935 819401625 /nfs/dbraw/zinc/40/16/25/819401625.db2.gz UGOUMYSNYDOSQX-AWEZNQCLSA-N 2 2 288.366 3.288 20 0 CGADLP Fc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c2occc21 ZINC001236241935 819401628 /nfs/dbraw/zinc/40/16/28/819401628.db2.gz UGOUMYSNYDOSQX-AWEZNQCLSA-N 2 2 288.366 3.288 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001236288463 819414277 /nfs/dbraw/zinc/41/42/77/819414277.db2.gz ZUBIDNOGKJIWNE-ZDUSSCGKSA-N 2 2 274.330 3.265 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001236288463 819414281 /nfs/dbraw/zinc/41/42/81/819414281.db2.gz ZUBIDNOGKJIWNE-ZDUSSCGKSA-N 2 2 274.330 3.265 20 0 CGADLP CCCC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388512 819445977 /nfs/dbraw/zinc/44/59/77/819445977.db2.gz LQVWFORYLXOYJC-MRXNPFEDSA-N 2 2 264.388 3.180 20 0 CGADLP CCCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388512 819445980 /nfs/dbraw/zinc/44/59/80/819445980.db2.gz LQVWFORYLXOYJC-MRXNPFEDSA-N 2 2 264.388 3.180 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410715 819457443 /nfs/dbraw/zinc/45/74/43/819457443.db2.gz JWZDTEWPDBPTFB-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1cc(C)c(Cl)cc1F)C[C@@H]1CC[NH2+]C1 ZINC001236410715 819457447 /nfs/dbraw/zinc/45/74/47/819457447.db2.gz JWZDTEWPDBPTFB-GFCCVEGCSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@@H+](Cc1ccc(Cl)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236412409 819458551 /nfs/dbraw/zinc/45/85/51/819458551.db2.gz UGOLZJCAVQCLRL-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP CC[N@H+](Cc1ccc(Cl)c(C)c1F)C[C@H]1CC[NH2+]C1 ZINC001236412409 819458554 /nfs/dbraw/zinc/45/85/54/819458554.db2.gz UGOLZJCAVQCLRL-LBPRGKRZSA-N 2 2 284.806 3.219 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421368 819468206 /nfs/dbraw/zinc/46/82/06/819468206.db2.gz QHHFWVSNURYUIZ-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001236421368 819468211 /nfs/dbraw/zinc/46/82/11/819468211.db2.gz QHHFWVSNURYUIZ-BBRMVZONSA-N 2 2 260.425 3.296 20 0 CGADLP COc1c(C)cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469338 819489534 /nfs/dbraw/zinc/48/95/34/819489534.db2.gz RTQNICQSFXBATJ-QGZVFWFLSA-N 2 2 290.451 3.274 20 0 CGADLP COc1c(C)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C ZINC001236469338 819489538 /nfs/dbraw/zinc/48/95/38/819489538.db2.gz RTQNICQSFXBATJ-QGZVFWFLSA-N 2 2 290.451 3.274 20 0 CGADLP c1cc2c(cccc2C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)s1 ZINC001236527433 819519455 /nfs/dbraw/zinc/51/94/55/819519455.db2.gz CZKSURQAJMZSNI-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP c1cc2c(cccc2C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)s1 ZINC001236527433 819519460 /nfs/dbraw/zinc/51/94/60/819519460.db2.gz CZKSURQAJMZSNI-CQSZACIVSA-N 2 2 272.417 3.228 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236615101 819553408 /nfs/dbraw/zinc/55/34/08/819553408.db2.gz FCGBMLIMGKJXEW-AWEZNQCLSA-N 2 2 287.234 3.473 20 0 CGADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC001236615101 819553414 /nfs/dbraw/zinc/55/34/14/819553414.db2.gz FCGBMLIMGKJXEW-AWEZNQCLSA-N 2 2 287.234 3.473 20 0 CGADLP CCc1cc(C[N@@H+](C)C[C@@H]([NH3+])CC)ccc1Cl ZINC001236885178 819630085 /nfs/dbraw/zinc/63/00/85/819630085.db2.gz ZXTDMKLJBGDJTK-ZDUSSCGKSA-N 2 2 254.805 3.072 20 0 CGADLP CCc1cc(C[N@H+](C)C[C@@H]([NH3+])CC)ccc1Cl ZINC001236885178 819630088 /nfs/dbraw/zinc/63/00/88/819630088.db2.gz ZXTDMKLJBGDJTK-ZDUSSCGKSA-N 2 2 254.805 3.072 20 0 CGADLP Cc1csc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237155131 819681693 /nfs/dbraw/zinc/68/16/93/819681693.db2.gz OJOWJAXFGLNESH-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP Cc1csc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237155131 819681697 /nfs/dbraw/zinc/68/16/97/819681697.db2.gz OJOWJAXFGLNESH-AWEZNQCLSA-N 2 2 264.438 3.163 20 0 CGADLP CCc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)o1 ZINC001237358323 819735076 /nfs/dbraw/zinc/73/50/76/819735076.db2.gz GABGHGPSSMRYGO-UHFFFAOYSA-N 2 2 296.414 3.437 20 0 CGADLP c1ccc(CC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237358362 819735665 /nfs/dbraw/zinc/73/56/65/819735665.db2.gz GXZSSBQPPXRNCX-UHFFFAOYSA-N 2 2 292.426 3.324 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407519 819745694 /nfs/dbraw/zinc/74/56/94/819745694.db2.gz XOPGGQMFCJIHLL-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407519 819745697 /nfs/dbraw/zinc/74/56/97/819745697.db2.gz XOPGGQMFCJIHLL-ZBFHGGJFSA-N 2 2 278.827 3.222 20 0 CGADLP COc1ccc(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001237712454 819817771 /nfs/dbraw/zinc/81/77/71/819817771.db2.gz CZGFAMOAKIWJQQ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001237712454 819817776 /nfs/dbraw/zinc/81/77/76/819817776.db2.gz CZGFAMOAKIWJQQ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2c[nH+]cn21 ZINC001238120098 819938068 /nfs/dbraw/zinc/93/80/68/819938068.db2.gz UEPHQJSJYNPGMI-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc2c[nH+]cn21 ZINC001238120098 819938072 /nfs/dbraw/zinc/93/80/72/819938072.db2.gz UEPHQJSJYNPGMI-UHFFFAOYSA-N 2 2 283.350 3.496 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(C)cc1OC ZINC001238770912 820112702 /nfs/dbraw/zinc/11/27/02/820112702.db2.gz SBONFPJPOIEERM-UHFFFAOYSA-N 2 2 278.440 3.086 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)cc1OC ZINC001238770912 820112708 /nfs/dbraw/zinc/11/27/08/820112708.db2.gz SBONFPJPOIEERM-UHFFFAOYSA-N 2 2 278.440 3.086 20 0 CGADLP CSc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239497303 820346876 /nfs/dbraw/zinc/34/68/76/820346876.db2.gz FQZXZHLDKRKHTA-UHFFFAOYSA-N 2 2 295.411 3.410 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC001239657790 820495395 /nfs/dbraw/zinc/49/53/95/820495395.db2.gz SCQVGSBKSIPIJG-QGZVFWFLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cc(F)cc(F)c3)c2)C1 ZINC001239657790 820495399 /nfs/dbraw/zinc/49/53/99/820495399.db2.gz SCQVGSBKSIPIJG-QGZVFWFLSA-N 2 2 288.341 3.165 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccnc3C3CC3)c2)C1 ZINC001243691410 823487927 /nfs/dbraw/zinc/48/79/27/823487927.db2.gz PPEPLCXFJWNLKL-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3C3CC3)c2)C1 ZINC001243691410 823487929 /nfs/dbraw/zinc/48/79/29/823487929.db2.gz PPEPLCXFJWNLKL-KRWDZBQOSA-N 2 2 293.414 3.159 20 0 CGADLP CCc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239745886 820568361 /nfs/dbraw/zinc/56/83/61/820568361.db2.gz WAXQJCGKHIOFMQ-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001239745886 820568365 /nfs/dbraw/zinc/56/83/65/820568365.db2.gz WAXQJCGKHIOFMQ-SFHVURJKSA-N 2 2 280.415 3.449 20 0 CGADLP COc1ccc(-c2ccc3[nH+]ccn3c2)cc1C[NH+](C)C ZINC001240218593 820891949 /nfs/dbraw/zinc/89/19/49/820891949.db2.gz FVLFBFYPQQNEHG-UHFFFAOYSA-N 2 2 281.359 3.072 20 0 CGADLP [NH3+]C1(c2cccc(-c3ccc4[nH+]ccn4c3)c2)CCC1 ZINC001240218927 820893475 /nfs/dbraw/zinc/89/34/75/820893475.db2.gz PUWWLAGHBBKHKO-UHFFFAOYSA-N 2 2 263.344 3.339 20 0 CGADLP Cc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240595808 821176133 /nfs/dbraw/zinc/17/61/33/821176133.db2.gz QMVGYYBIOCODGI-SFHVURJKSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001240595808 821176140 /nfs/dbraw/zinc/17/61/40/821176140.db2.gz QMVGYYBIOCODGI-SFHVURJKSA-N 2 2 284.378 3.334 20 0 CGADLP CCOc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241116602 821571953 /nfs/dbraw/zinc/57/19/53/821571953.db2.gz PVBIGGPFCQMIMA-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241116602 821571956 /nfs/dbraw/zinc/57/19/56/821571956.db2.gz PVBIGGPFCQMIMA-SFHVURJKSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241681854 822063431 /nfs/dbraw/zinc/06/34/31/822063431.db2.gz PFIVYDUUKMMDAH-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241681854 822063439 /nfs/dbraw/zinc/06/34/39/822063439.db2.gz PFIVYDUUKMMDAH-INIZCTEOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc(C)[nH+]1 ZINC001241993706 822262018 /nfs/dbraw/zinc/26/20/18/822262018.db2.gz NLHJXKJWSPJNPY-UHFFFAOYSA-N 2 2 296.414 3.240 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC001242096316 822351429 /nfs/dbraw/zinc/35/14/29/822351429.db2.gz GZCXUMBJPDJKQS-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000258826950 927008588 /nfs/dbraw/zinc/00/85/88/927008588.db2.gz UWBFUNALOBTAPU-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000258826950 927008609 /nfs/dbraw/zinc/00/86/09/927008609.db2.gz UWBFUNALOBTAPU-CQSZACIVSA-N 2 2 254.377 3.133 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063278 928184283 /nfs/dbraw/zinc/18/42/83/928184283.db2.gz MMKJESGYYDHCHE-STQMWFEESA-N 2 2 299.245 3.274 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063278 928184290 /nfs/dbraw/zinc/18/42/90/928184290.db2.gz MMKJESGYYDHCHE-STQMWFEESA-N 2 2 299.245 3.274 20 0 CGADLP CCc1nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(C)[nH+]1 ZINC001458496835 937465501 /nfs/dbraw/zinc/46/55/01/937465501.db2.gz MQKONIBXKGBTSD-AWEZNQCLSA-N 2 2 288.439 3.166 20 0 CGADLP CCc1nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc(C)[nH+]1 ZINC001458496835 937465503 /nfs/dbraw/zinc/46/55/03/937465503.db2.gz MQKONIBXKGBTSD-AWEZNQCLSA-N 2 2 288.439 3.166 20 0 CGADLP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001458682416 937472114 /nfs/dbraw/zinc/47/21/14/937472114.db2.gz SYLIAJFXNFETLD-HNNXBMFYSA-N 2 2 290.455 3.441 20 0 CGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[NH+]1CCC(C)CC1 ZINC001461046336 937561414 /nfs/dbraw/zinc/56/14/14/937561414.db2.gz YSWZRQBHAKUXPX-IAGOWNOFSA-N 2 2 264.457 3.300 20 0 CGADLP CC[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001461260314 937572905 /nfs/dbraw/zinc/57/29/05/937572905.db2.gz REDRIEDKXQQQDQ-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CC[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001461260314 937572908 /nfs/dbraw/zinc/57/29/08/937572908.db2.gz REDRIEDKXQQQDQ-JKSUJKDBSA-N 2 2 260.425 3.254 20 0 CGADLP CCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001461636154 937590157 /nfs/dbraw/zinc/59/01/57/937590157.db2.gz YLEXBFPIJHYCBC-INIZCTEOSA-N 2 2 260.425 3.211 20 0 CGADLP CCc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001461636154 937590159 /nfs/dbraw/zinc/59/01/59/937590159.db2.gz YLEXBFPIJHYCBC-INIZCTEOSA-N 2 2 260.425 3.211 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001462425461 937640232 /nfs/dbraw/zinc/64/02/32/937640232.db2.gz DMZSRQCSCVMDDU-AWEZNQCLSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308292155 933090127 /nfs/dbraw/zinc/09/01/27/933090127.db2.gz DHJNNFFFVGRKNV-INIZCTEOSA-N 2 2 295.430 3.323 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308292155 933090133 /nfs/dbraw/zinc/09/01/33/933090133.db2.gz DHJNNFFFVGRKNV-INIZCTEOSA-N 2 2 295.430 3.323 20 0 CGADLP Fc1cccc(/C=C/C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001308297009 933090995 /nfs/dbraw/zinc/09/09/95/933090995.db2.gz CESQJKRPMPBKFD-QPJJXVBHSA-N 2 2 285.366 3.326 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001308773426 933174040 /nfs/dbraw/zinc/17/40/40/933174040.db2.gz JSZAYOKKLMLAIL-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@H](C)CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001308773426 933174041 /nfs/dbraw/zinc/17/40/41/933174041.db2.gz JSZAYOKKLMLAIL-NUJGCVRESA-N 2 2 290.451 3.054 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC001308893808 933198236 /nfs/dbraw/zinc/19/82/36/933198236.db2.gz GAPJCOODEYRWIW-OAHLLOKOSA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC001308893808 933198238 /nfs/dbraw/zinc/19/82/38/933198238.db2.gz GAPJCOODEYRWIW-OAHLLOKOSA-N 2 2 294.389 3.114 20 0 CGADLP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904371 933201142 /nfs/dbraw/zinc/20/11/42/933201142.db2.gz LLVNFVPZYAMZOQ-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001308904371 933201143 /nfs/dbraw/zinc/20/11/43/933201143.db2.gz LLVNFVPZYAMZOQ-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001308904371 933201146 /nfs/dbraw/zinc/20/11/46/933201146.db2.gz LLVNFVPZYAMZOQ-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CCc1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001308904371 933201151 /nfs/dbraw/zinc/20/11/51/933201151.db2.gz LLVNFVPZYAMZOQ-WMLDXEAASA-N 2 2 292.854 3.428 20 0 CGADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001319660249 933911361 /nfs/dbraw/zinc/91/13/61/933911361.db2.gz OBAFAQMAKONAPP-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC001319660249 933911367 /nfs/dbraw/zinc/91/13/67/933911367.db2.gz OBAFAQMAKONAPP-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC001319660249 933911373 /nfs/dbraw/zinc/91/13/73/933911373.db2.gz OBAFAQMAKONAPP-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC001319660249 933911378 /nfs/dbraw/zinc/91/13/78/933911378.db2.gz OBAFAQMAKONAPP-OAHLLOKOSA-N 2 2 264.388 3.132 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001474744229 933976578 /nfs/dbraw/zinc/97/65/78/933976578.db2.gz DGCQYTGNUWGYER-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP CC[C@H](Cc1cccs1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001474744229 933976586 /nfs/dbraw/zinc/97/65/86/933976586.db2.gz DGCQYTGNUWGYER-CQSZACIVSA-N 2 2 280.481 3.391 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320056376 933987608 /nfs/dbraw/zinc/98/76/08/933987608.db2.gz VSSOUICLBFHKAB-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320056376 933987617 /nfs/dbraw/zinc/98/76/17/933987617.db2.gz VSSOUICLBFHKAB-QGZVFWFLSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(N2CCC([NH+](C)C)CC2)[nH+]c2ccccc12 ZINC001321545654 934193055 /nfs/dbraw/zinc/19/30/55/934193055.db2.gz YCFLOVLOFGVYLD-UHFFFAOYSA-N 2 2 269.392 3.074 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC001329024547 935179206 /nfs/dbraw/zinc/17/92/06/935179206.db2.gz UDKIBFIZIGNRJZ-STQMWFEESA-N 2 2 289.448 3.459 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC001329024544 935179747 /nfs/dbraw/zinc/17/97/47/935179747.db2.gz UDKIBFIZIGNRJZ-CHWSQXEVSA-N 2 2 289.448 3.459 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2(C)CCCC2)C1 ZINC001331065248 935346494 /nfs/dbraw/zinc/34/64/94/935346494.db2.gz BIBULGZZHLWNPK-OAHLLOKOSA-N 2 2 275.440 3.255 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2(C)CCCC2)C1 ZINC001331065248 935346498 /nfs/dbraw/zinc/34/64/98/935346498.db2.gz BIBULGZZHLWNPK-OAHLLOKOSA-N 2 2 275.440 3.255 20 0 CGADLP CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC001334797470 936115309 /nfs/dbraw/zinc/11/53/09/936115309.db2.gz DOHHLEIHRPTUOI-JSGCOSHPSA-N 2 2 267.442 3.180 20 0 CGADLP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]21 ZINC001335283747 936136650 /nfs/dbraw/zinc/13/66/50/936136650.db2.gz RASBWRJMQISXGW-XPABHHOTSA-N 2 2 284.394 3.027 20 0 CGADLP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]21 ZINC001335283747 936136653 /nfs/dbraw/zinc/13/66/53/936136653.db2.gz RASBWRJMQISXGW-XPABHHOTSA-N 2 2 284.394 3.027 20 0 CGADLP CC[NH+]1CCC(C[N@@H+]2CCn3c(cc4ccccc43)C2)CC1 ZINC001474551560 937866340 /nfs/dbraw/zinc/86/63/40/937866340.db2.gz ZKMDIJDRVOPULB-UHFFFAOYSA-N 2 2 297.446 3.189 20 0 CGADLP CC[NH+]1CCC(C[N@H+]2CCn3c(cc4ccccc43)C2)CC1 ZINC001474551560 937866342 /nfs/dbraw/zinc/86/63/42/937866342.db2.gz ZKMDIJDRVOPULB-UHFFFAOYSA-N 2 2 297.446 3.189 20 0 CGADLP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474671161 937873870 /nfs/dbraw/zinc/87/38/70/937873870.db2.gz OOWOWSAMFRULKK-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474671161 937873871 /nfs/dbraw/zinc/87/38/71/937873871.db2.gz OOWOWSAMFRULKK-ZWKOTPCHSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCC3)cc1 ZINC001549338280 938156692 /nfs/dbraw/zinc/15/66/92/938156692.db2.gz WKJHQFSFBHNCOB-GVDBMIGSSA-N 2 2 270.420 3.054 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC001550298466 938165074 /nfs/dbraw/zinc/16/50/74/938165074.db2.gz RORCOBOFEFROSC-WUTVXBCWSA-N 2 2 299.393 3.452 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC001550298466 938165075 /nfs/dbraw/zinc/16/50/75/938165075.db2.gz RORCOBOFEFROSC-WUTVXBCWSA-N 2 2 299.393 3.452 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC001551378348 938180684 /nfs/dbraw/zinc/18/06/84/938180684.db2.gz OUCRJYPUZNFXLV-KKXDTOCCSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC001551379680 938180781 /nfs/dbraw/zinc/18/07/81/938180781.db2.gz ZRXFEWYOYWOSNL-IPMKNSEASA-N 2 2 293.414 3.137 20 0 CGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccsc1 ZINC001551379679 938180839 /nfs/dbraw/zinc/18/08/39/938180839.db2.gz ZRGSVALAWFBHAB-XHSDSOJGSA-N 2 2 272.417 3.414 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001552313481 938190966 /nfs/dbraw/zinc/19/09/66/938190966.db2.gz FJJPMYBFMNGVJG-RFGFWPKPSA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001552313481 938190967 /nfs/dbraw/zinc/19/09/67/938190967.db2.gz FJJPMYBFMNGVJG-RFGFWPKPSA-N 2 2 290.373 3.324 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC001559751961 938234759 /nfs/dbraw/zinc/23/47/59/938234759.db2.gz PKBWUZZKZWAQMM-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC001559751961 938234760 /nfs/dbraw/zinc/23/47/60/938234760.db2.gz PKBWUZZKZWAQMM-QLFBSQMISA-N 2 2 252.446 3.133 20 0 CGADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)Cc1ccco1 ZINC001559815832 938236251 /nfs/dbraw/zinc/23/62/51/938236251.db2.gz BQWLJKRUVPPZFZ-IXDOHACOSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)Cc1ccco1 ZINC001559815832 938236252 /nfs/dbraw/zinc/23/62/52/938236252.db2.gz BQWLJKRUVPPZFZ-IXDOHACOSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001559815832 938236253 /nfs/dbraw/zinc/23/62/53/938236253.db2.gz BQWLJKRUVPPZFZ-IXDOHACOSA-N 2 2 290.451 3.470 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001559815832 938236254 /nfs/dbraw/zinc/23/62/54/938236254.db2.gz BQWLJKRUVPPZFZ-IXDOHACOSA-N 2 2 290.451 3.470 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCCCC1(C)C ZINC001560136793 938244900 /nfs/dbraw/zinc/24/49/00/938244900.db2.gz DXBYMDMFVJECOX-HRCADAONSA-N 2 2 264.457 3.371 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCCCC1(C)C ZINC001560136793 938244901 /nfs/dbraw/zinc/24/49/01/938244901.db2.gz DXBYMDMFVJECOX-HRCADAONSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCCCC1(C)C ZINC001560136793 938244902 /nfs/dbraw/zinc/24/49/02/938244902.db2.gz DXBYMDMFVJECOX-HRCADAONSA-N 2 2 264.457 3.371 20 0 CGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCCCC1(C)C ZINC001560136793 938244903 /nfs/dbraw/zinc/24/49/03/938244903.db2.gz DXBYMDMFVJECOX-HRCADAONSA-N 2 2 264.457 3.371 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001560245479 938248987 /nfs/dbraw/zinc/24/89/87/938248987.db2.gz BQIXLORHWSGQRX-SJORKVTESA-N 2 2 296.499 3.149 20 0 CGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001560245479 938248988 /nfs/dbraw/zinc/24/89/88/938248988.db2.gz BQIXLORHWSGQRX-SJORKVTESA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)CC1CCCCC1 ZINC001560249639 938249203 /nfs/dbraw/zinc/24/92/03/938249203.db2.gz XPUSVMAYMHYPNL-HNNXBMFYSA-N 2 2 263.429 3.469 20 0 CGADLP Fc1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001560367335 938255354 /nfs/dbraw/zinc/25/53/54/938255354.db2.gz HJERPYOQZYGBIT-UHFFFAOYSA-N 2 2 276.399 3.322 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001560454420 938259030 /nfs/dbraw/zinc/25/90/30/938259030.db2.gz XCLXALXXFPYFJF-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001560454420 938259031 /nfs/dbraw/zinc/25/90/31/938259031.db2.gz XCLXALXXFPYFJF-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001560929317 938284582 /nfs/dbraw/zinc/28/45/82/938284582.db2.gz VHOBRVTVGKYLLT-IJEWVQPXSA-N 2 2 252.446 3.418 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001560929317 938284583 /nfs/dbraw/zinc/28/45/83/938284583.db2.gz VHOBRVTVGKYLLT-IJEWVQPXSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944384 938285615 /nfs/dbraw/zinc/28/56/15/938285615.db2.gz DRNIYSVVVIDDIF-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC001560944384 938285617 /nfs/dbraw/zinc/28/56/17/938285617.db2.gz DRNIYSVVVIDDIF-CJNGLKHVSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1Cl ZINC001560972067 938286991 /nfs/dbraw/zinc/28/69/91/938286991.db2.gz BXMJCDVXAWIXOG-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1Cl ZINC001560972067 938286992 /nfs/dbraw/zinc/28/69/92/938286992.db2.gz BXMJCDVXAWIXOG-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972067 938286993 /nfs/dbraw/zinc/28/69/93/938286993.db2.gz BXMJCDVXAWIXOG-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1Cl ZINC001560972067 938286994 /nfs/dbraw/zinc/28/69/94/938286994.db2.gz BXMJCDVXAWIXOG-GDBMZVCRSA-N 2 2 278.827 3.174 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576302166 962452878 /nfs/dbraw/zinc/45/28/78/962452878.db2.gz SFELRGRCGGPGKO-IINYFYTJSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC001576302166 962452884 /nfs/dbraw/zinc/45/28/84/962452884.db2.gz SFELRGRCGGPGKO-IINYFYTJSA-N 2 2 270.779 3.211 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H]1C ZINC001576680569 962485777 /nfs/dbraw/zinc/48/57/77/962485777.db2.gz PMCWOHMJTFMBHH-PWGAFSCYSA-N 2 2 258.409 3.025 20 0 CGADLP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001578193917 962575621 /nfs/dbraw/zinc/57/56/21/962575621.db2.gz BJXQRKKGXUOQLV-DOMZBBRYSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001578193917 962575633 /nfs/dbraw/zinc/57/56/33/962575633.db2.gz BJXQRKKGXUOQLV-DOMZBBRYSA-N 2 2 296.842 3.298 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](COC)CC(C)(C)C ZINC001578275640 962581039 /nfs/dbraw/zinc/58/10/39/962581039.db2.gz UEIWWJVYSMGSOT-DOTOQJQBSA-N 2 2 292.467 3.290 20 0 CGADLP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001578676873 962590108 /nfs/dbraw/zinc/59/01/08/962590108.db2.gz QXWUWESZWJKVCD-CQSZACIVSA-N 2 2 296.842 3.313 20 0 CGADLP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001578676873 962590116 /nfs/dbraw/zinc/59/01/16/962590116.db2.gz QXWUWESZWJKVCD-CQSZACIVSA-N 2 2 296.842 3.313 20 0 CGADLP COCCCCC[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC001579013203 962613583 /nfs/dbraw/zinc/61/35/83/962613583.db2.gz XYNIYGPRBSEDBN-GOSISDBHSA-N 2 2 286.419 3.246 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337390091 214048930 /nfs/dbraw/zinc/04/89/30/214048930.db2.gz KLRDOGRXJNBJKI-CYBMUJFWSA-N 2 2 264.413 3.421 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)oc1C ZINC000337414147 214066583 /nfs/dbraw/zinc/06/65/83/214066583.db2.gz OQEMCWNCMVSATE-OBJOEFQTSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)oc1C ZINC000337414147 214066585 /nfs/dbraw/zinc/06/65/85/214066585.db2.gz OQEMCWNCMVSATE-OBJOEFQTSA-N 2 2 250.386 3.030 20 0 CGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337525590 214138408 /nfs/dbraw/zinc/13/84/08/214138408.db2.gz RKQIPBDOKIXABT-AEFFLSMTSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1F ZINC000337949836 214326479 /nfs/dbraw/zinc/32/64/79/214326479.db2.gz KJIWOUVDNUBIEX-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP COCC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C(C)(C)C ZINC000337952949 214329892 /nfs/dbraw/zinc/32/98/92/214329892.db2.gz YIIVQVSLZUBOAJ-OAHLLOKOSA-N 2 2 289.423 3.184 20 0 CGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000337994455 214349084 /nfs/dbraw/zinc/34/90/84/214349084.db2.gz LNJUHQTUZOGDOA-OALUTQOASA-N 2 2 299.462 3.214 20 0 CGADLP CCc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365634136 529579533 /nfs/dbraw/zinc/57/95/33/529579533.db2.gz WYKACYAYUWSPKX-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP CCc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365634136 529579535 /nfs/dbraw/zinc/57/95/35/529579535.db2.gz WYKACYAYUWSPKX-QGZVFWFLSA-N 2 2 283.419 3.362 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC1(F)F ZINC000623015270 349751748 /nfs/dbraw/zinc/75/17/48/349751748.db2.gz TWCUEVGBXLPLCG-DHMWGJHJSA-N 2 2 282.378 3.311 20 0 CGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089386 349758949 /nfs/dbraw/zinc/75/89/49/349758949.db2.gz FPXBWVIJQRFSNV-JSGCOSHPSA-N 2 2 288.426 3.378 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423510522 529612189 /nfs/dbraw/zinc/61/21/89/529612189.db2.gz SKRFPRWTLBPZTI-LIRRHRJNSA-N 2 2 298.430 3.092 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423505673 529616714 /nfs/dbraw/zinc/61/67/14/529616714.db2.gz ORTWUKBLSQUZSI-DJIMGWMZSA-N 2 2 278.415 3.367 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423496444 529617645 /nfs/dbraw/zinc/61/76/45/529617645.db2.gz DWAMOVGQXYLZFT-BBWFWOEESA-N 2 2 258.409 3.027 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC)cc1 ZINC000423253199 529619137 /nfs/dbraw/zinc/61/91/37/529619137.db2.gz YOTQDWJLOVGRLU-ROUUACIJSA-N 2 2 284.403 3.436 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)ccc1F ZINC000424374293 529656204 /nfs/dbraw/zinc/65/62/04/529656204.db2.gz KUKBJAQNDZYQON-QLFBSQMISA-N 2 2 268.351 3.275 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000423196467 529656606 /nfs/dbraw/zinc/65/66/06/529656606.db2.gz VKLKXEQDXFJCTF-ZJUUUORDSA-N 2 2 258.818 3.194 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC)c1 ZINC000359944934 529671715 /nfs/dbraw/zinc/67/17/15/529671715.db2.gz VUCFCCZDQUQPSU-OKZBNKHCSA-N 2 2 288.435 3.363 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC)c1 ZINC000359944934 529671719 /nfs/dbraw/zinc/67/17/19/529671719.db2.gz VUCFCCZDQUQPSU-OKZBNKHCSA-N 2 2 288.435 3.363 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccncc1Cl ZINC000623399182 349798859 /nfs/dbraw/zinc/79/88/59/349798859.db2.gz AMLYRTNCHJVKET-UHFFFAOYSA-N 2 2 283.847 3.337 20 0 CGADLP CSC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000591581333 346929811 /nfs/dbraw/zinc/92/98/11/346929811.db2.gz QFOKPEOOIYIODT-BXKDBHETSA-N 2 2 292.370 3.046 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000127854033 187337607 /nfs/dbraw/zinc/33/76/07/187337607.db2.gz TWSKYGUMWBBVPN-HUUCEWRRSA-N 2 2 284.407 3.135 20 0 CGADLP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000127854033 187337608 /nfs/dbraw/zinc/33/76/08/187337608.db2.gz TWSKYGUMWBBVPN-HUUCEWRRSA-N 2 2 284.407 3.135 20 0 CGADLP CC[N@H+](CC[C@@H](C)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352013111 136384819 /nfs/dbraw/zinc/38/48/19/136384819.db2.gz HUOZELFUBHVHKY-OAHLLOKOSA-N 2 2 293.430 3.368 20 0 CGADLP CC[N@@H+](CC[C@@H](C)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352013111 136384820 /nfs/dbraw/zinc/38/48/20/136384820.db2.gz HUOZELFUBHVHKY-OAHLLOKOSA-N 2 2 293.430 3.368 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474683 349815488 /nfs/dbraw/zinc/81/54/88/349815488.db2.gz LIBCHNNIXGSTSU-ZIAGYGMSSA-N 2 2 279.428 3.205 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474683 349815489 /nfs/dbraw/zinc/81/54/89/349815489.db2.gz LIBCHNNIXGSTSU-ZIAGYGMSSA-N 2 2 279.428 3.205 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)o1 ZINC000423503866 529721987 /nfs/dbraw/zinc/72/19/87/529721987.db2.gz NDFOWHTWDSIEJL-SMDDNHRTSA-N 2 2 250.386 3.010 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CC23CCCCC3)[nH+]1 ZINC000623568140 349836697 /nfs/dbraw/zinc/83/66/97/349836697.db2.gz QOXKAXXBJMYYRX-CQSZACIVSA-N 2 2 255.365 3.147 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CS1 ZINC000623614915 349849793 /nfs/dbraw/zinc/84/97/93/349849793.db2.gz GAWOMEVGVAWFGN-FMKPAKJESA-N 2 2 282.497 3.267 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CS1 ZINC000623614915 349849795 /nfs/dbraw/zinc/84/97/95/349849795.db2.gz GAWOMEVGVAWFGN-FMKPAKJESA-N 2 2 282.497 3.267 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751709 349877780 /nfs/dbraw/zinc/87/77/80/349877780.db2.gz JYHMMURNEWWAPZ-KNXALSJPSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000623751709 349877783 /nfs/dbraw/zinc/87/77/83/349877783.db2.gz JYHMMURNEWWAPZ-KNXALSJPSA-N 2 2 278.827 3.257 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623853162 349896504 /nfs/dbraw/zinc/89/65/04/349896504.db2.gz OOSOJCDFTMGVJU-KGLIPLIRSA-N 2 2 293.480 3.375 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623853162 349896506 /nfs/dbraw/zinc/89/65/06/349896506.db2.gz OOSOJCDFTMGVJU-KGLIPLIRSA-N 2 2 293.480 3.375 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000623853353 349896567 /nfs/dbraw/zinc/89/65/67/349896567.db2.gz VKUVFWCUMUNNGW-KRWDZBQOSA-N 2 2 260.425 3.083 20 0 CGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2scnc21)C(C)(C)C ZINC000623894993 349908171 /nfs/dbraw/zinc/90/81/71/349908171.db2.gz HLHLTTLWIYEOCP-TZMCWYRMSA-N 2 2 295.496 3.477 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000423224583 529978623 /nfs/dbraw/zinc/97/86/23/529978623.db2.gz JKCHVKIPAXJVCX-INIZCTEOSA-N 2 2 298.430 3.444 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000423224442 529978845 /nfs/dbraw/zinc/97/88/45/529978845.db2.gz JFQICHRQKAFYPQ-GFCCVEGCSA-N 2 2 252.427 3.057 20 0 CGADLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000351600016 219138788 /nfs/dbraw/zinc/13/87/88/219138788.db2.gz MEKTUPUMHYHPGP-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000351600016 219138790 /nfs/dbraw/zinc/13/87/90/219138790.db2.gz MEKTUPUMHYHPGP-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000351600016 219138792 /nfs/dbraw/zinc/13/87/92/219138792.db2.gz MEKTUPUMHYHPGP-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000351600016 219138794 /nfs/dbraw/zinc/13/87/94/219138794.db2.gz MEKTUPUMHYHPGP-ZDUSSCGKSA-N 2 2 296.842 3.122 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672467 344964781 /nfs/dbraw/zinc/96/47/81/344964781.db2.gz SKAGNOGOOBDKTK-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672467 344964784 /nfs/dbraw/zinc/96/47/84/344964784.db2.gz SKAGNOGOOBDKTK-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000623962383 349929590 /nfs/dbraw/zinc/92/95/90/349929590.db2.gz FPHNJUHCQQSUDO-BURFUSLBSA-N 2 2 290.451 3.225 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000154582669 232219850 /nfs/dbraw/zinc/21/98/50/232219850.db2.gz WAGNNJHJORBBME-VXGBXAGGSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1C(F)(F)F ZINC000154582669 232219852 /nfs/dbraw/zinc/21/98/52/232219852.db2.gz WAGNNJHJORBBME-VXGBXAGGSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCCO1 ZINC000623977313 349933932 /nfs/dbraw/zinc/93/39/32/349933932.db2.gz MXXDAEJHZVGDRI-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCCO1 ZINC000623977313 349933933 /nfs/dbraw/zinc/93/39/33/349933933.db2.gz MXXDAEJHZVGDRI-JQHSSLGASA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCCO1 ZINC000623977312 349934020 /nfs/dbraw/zinc/93/40/20/349934020.db2.gz MXXDAEJHZVGDRI-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCCO1 ZINC000623977312 349934023 /nfs/dbraw/zinc/93/40/23/349934023.db2.gz MXXDAEJHZVGDRI-CGTJXYLNSA-N 2 2 294.483 3.331 20 0 CGADLP C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(C)(C)C[NH+](C)C ZINC000085688206 345747736 /nfs/dbraw/zinc/74/77/36/345747736.db2.gz USPNCQOGTDIATL-GFCCVEGCSA-N 2 2 278.444 3.162 20 0 CGADLP CC(C)[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000091375378 345812900 /nfs/dbraw/zinc/81/29/00/345812900.db2.gz ZKQPKFILMOYUQO-FUHWJXTLSA-N 2 2 290.451 3.084 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000090846684 345795233 /nfs/dbraw/zinc/79/52/33/345795233.db2.gz QTKTYQXEOASULF-SCLBCKFNSA-N 2 2 266.388 3.456 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073751 345830943 /nfs/dbraw/zinc/83/09/43/345830943.db2.gz YKLIEUDGESDUFZ-SNVBAGLBSA-N 2 2 295.308 3.207 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000092073751 345830946 /nfs/dbraw/zinc/83/09/46/345830946.db2.gz YKLIEUDGESDUFZ-SNVBAGLBSA-N 2 2 295.308 3.207 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866034 345891015 /nfs/dbraw/zinc/89/10/15/345891015.db2.gz HSOOBCGAJLXVHK-KRWDZBQOSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866034 345891016 /nfs/dbraw/zinc/89/10/16/345891016.db2.gz HSOOBCGAJLXVHK-KRWDZBQOSA-N 2 2 286.350 3.182 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000093942497 345892893 /nfs/dbraw/zinc/89/28/93/345892893.db2.gz PCIXGQCMMYXYJF-YXJHDRRASA-N 2 2 287.451 3.030 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1N(C)C ZINC000093942497 345892898 /nfs/dbraw/zinc/89/28/98/345892898.db2.gz PCIXGQCMMYXYJF-YXJHDRRASA-N 2 2 287.451 3.030 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000093178889 345871996 /nfs/dbraw/zinc/87/19/96/345871996.db2.gz JOKMZAHXYAGEER-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000093178889 345871999 /nfs/dbraw/zinc/87/19/99/345871999.db2.gz JOKMZAHXYAGEER-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000093178889 345872002 /nfs/dbraw/zinc/87/20/02/345872002.db2.gz JOKMZAHXYAGEER-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093178889 345872006 /nfs/dbraw/zinc/87/20/06/345872006.db2.gz JOKMZAHXYAGEER-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2Cl)CC1 ZINC000093178527 345872235 /nfs/dbraw/zinc/87/22/35/345872235.db2.gz OCKPQCACKAACCA-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2Cl)CC1 ZINC000093178527 345872236 /nfs/dbraw/zinc/87/22/36/345872236.db2.gz OCKPQCACKAACCA-UHFFFAOYSA-N 2 2 284.806 3.395 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000093209987 345872928 /nfs/dbraw/zinc/87/29/28/345872928.db2.gz UCJYPOVQKLNYKR-IAGOWNOFSA-N 3 2 293.499 3.035 20 0 CGADLP Clc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000175015992 232310061 /nfs/dbraw/zinc/31/00/61/232310061.db2.gz GAWSOTNDQIBBGV-UHFFFAOYSA-N 2 2 287.794 3.057 20 0 CGADLP Cc1cccc(C)c1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913204 232349358 /nfs/dbraw/zinc/34/93/58/232349358.db2.gz RYDKYRZWOCYCMR-UHFFFAOYSA-N 2 2 299.418 3.216 20 0 CGADLP Clc1c[nH+]ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000178353027 232387657 /nfs/dbraw/zinc/38/76/57/232387657.db2.gz SHCRTNRCAPKOEV-UHFFFAOYSA-N 2 2 279.815 3.190 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141193 199368880 /nfs/dbraw/zinc/36/88/80/199368880.db2.gz ZNIUSADDGXIINQ-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141193 199368882 /nfs/dbraw/zinc/36/88/82/199368882.db2.gz ZNIUSADDGXIINQ-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141193 199368883 /nfs/dbraw/zinc/36/88/83/199368883.db2.gz ZNIUSADDGXIINQ-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000295141193 199368885 /nfs/dbraw/zinc/36/88/85/199368885.db2.gz ZNIUSADDGXIINQ-QGZVFWFLSA-N 2 2 288.435 3.053 20 0 CGADLP Cc1cc[nH+]c(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)c1 ZINC000188310437 346262105 /nfs/dbraw/zinc/26/21/05/346262105.db2.gz MTPJVXQPXYAASN-HNNXBMFYSA-N 2 2 282.322 3.454 20 0 CGADLP CCc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000225379442 346304134 /nfs/dbraw/zinc/30/41/34/346304134.db2.gz PWPAJIUKFOMQGV-HNNXBMFYSA-N 2 2 260.406 3.100 20 0 CGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000188999809 232456810 /nfs/dbraw/zinc/45/68/10/232456810.db2.gz VUZCYVZTURCRJI-ROUUACIJSA-N 2 2 272.436 3.083 20 0 CGADLP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(Cl)c1 ZINC000235430025 346335461 /nfs/dbraw/zinc/33/54/61/346335461.db2.gz PQKUVGTUUABYGA-GFCCVEGCSA-N 2 2 254.805 3.078 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000247027404 346366985 /nfs/dbraw/zinc/36/69/85/346366985.db2.gz ICZXGUVYHIUMQR-AEFFLSMTSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000247027404 346366988 /nfs/dbraw/zinc/36/69/88/346366988.db2.gz ICZXGUVYHIUMQR-AEFFLSMTSA-N 2 2 272.436 3.350 20 0 CGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453112 346391042 /nfs/dbraw/zinc/39/10/42/346391042.db2.gz ANONTFYPWLVVIG-USWWRNFRSA-N 2 2 285.218 3.206 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000394534630 346577078 /nfs/dbraw/zinc/57/70/78/346577078.db2.gz NDNZLBNBAVXDBQ-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP C(CC1CCCCCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000394534630 346577080 /nfs/dbraw/zinc/57/70/80/346577080.db2.gz NDNZLBNBAVXDBQ-OAHLLOKOSA-N 2 2 250.430 3.173 20 0 CGADLP COCC1(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000584590111 346685542 /nfs/dbraw/zinc/68/55/42/346685542.db2.gz LRKQCQJVGGTMFD-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000342821795 136702918 /nfs/dbraw/zinc/70/29/18/136702918.db2.gz OPZMRCIOOIFCNI-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H](C)C1 ZINC000339418418 215157640 /nfs/dbraw/zinc/15/76/40/215157640.db2.gz BNWURMAGHWAAMU-WFASDCNBSA-N 2 2 282.378 3.228 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C(C)(F)F)cc2)[C@@H](C)C1 ZINC000339418418 215157642 /nfs/dbraw/zinc/15/76/42/215157642.db2.gz BNWURMAGHWAAMU-WFASDCNBSA-N 2 2 282.378 3.228 20 0 CGADLP C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358257473 233092198 /nfs/dbraw/zinc/09/21/98/233092198.db2.gz UNMAUFJAHHUXKO-IIDMSEBBSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2F)n1-c1ccccc1 ZINC000339588492 215259207 /nfs/dbraw/zinc/25/92/07/215259207.db2.gz ZLOZZZATHOEYMV-CVEARBPZSA-N 2 2 273.355 3.161 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000359005290 233238545 /nfs/dbraw/zinc/23/85/45/233238545.db2.gz QSWVJPJDEADNDB-ATLSCFEFSA-N 2 2 290.451 3.001 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000624270338 350015584 /nfs/dbraw/zinc/01/55/84/350015584.db2.gz JLZMSWTYBRFFCD-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000624270338 350015586 /nfs/dbraw/zinc/01/55/86/350015586.db2.gz JLZMSWTYBRFFCD-YESZJQIVSA-N 2 2 258.409 3.007 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000628162671 350417973 /nfs/dbraw/zinc/41/79/73/350417973.db2.gz ZECSAAYXPVWMLY-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2[nH]1 ZINC000628162671 350417977 /nfs/dbraw/zinc/41/79/77/350417977.db2.gz ZECSAAYXPVWMLY-MRXNPFEDSA-N 2 2 280.375 3.202 20 0 CGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000628226397 350449575 /nfs/dbraw/zinc/44/95/75/350449575.db2.gz MMRSAIIMRHBNCY-UHFFFAOYSA-N 2 2 291.439 3.178 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000629526462 350702084 /nfs/dbraw/zinc/70/20/84/350702084.db2.gz VIZYJBXLKYTVBI-YESZJQIVSA-N 2 2 288.435 3.247 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629526483 350702324 /nfs/dbraw/zinc/70/23/24/350702324.db2.gz WFMVZFSWTBKIAV-RRQGHBQHSA-N 2 2 276.424 3.267 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000629540030 350706627 /nfs/dbraw/zinc/70/66/27/350706627.db2.gz PPXONHCQSCZDGL-SCRDCRAPSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1csc(Cl)c1 ZINC000629542657 350707458 /nfs/dbraw/zinc/70/74/58/350707458.db2.gz IJOUAYGUAVMNFR-WCABBAIRSA-N 2 2 258.818 3.193 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1F ZINC000629543091 350708434 /nfs/dbraw/zinc/70/84/34/350708434.db2.gz SLWYDDIDEPKJFC-ZOWXZIJZSA-N 2 2 250.361 3.007 20 0 CGADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000629546665 350710211 /nfs/dbraw/zinc/71/02/11/350710211.db2.gz VWGBRGKQLNKECU-KYNGSXCRSA-N 2 2 298.405 3.450 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000629555693 350713007 /nfs/dbraw/zinc/71/30/07/350713007.db2.gz BBUAYFPDHZKTOF-HFBAOOFYSA-N 2 2 278.827 3.448 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585583 350714798 /nfs/dbraw/zinc/71/47/98/350714798.db2.gz XICUPSHLTJSZLF-YESZJQIVSA-N 2 2 294.389 3.347 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585583 350714801 /nfs/dbraw/zinc/71/48/01/350714801.db2.gz XICUPSHLTJSZLF-YESZJQIVSA-N 2 2 294.389 3.347 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000629390180 350687488 /nfs/dbraw/zinc/68/74/88/350687488.db2.gz MJLAIXXUAOXYBK-QWHCGFSZSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C[NH2+]1 ZINC000629396524 350688320 /nfs/dbraw/zinc/68/83/20/350688320.db2.gz MGQCKSCDTIJZHU-TVQRCGJNSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C[NH2+]1 ZINC000629396978 350688510 /nfs/dbraw/zinc/68/85/10/350688510.db2.gz RWQXZQWVMAYKNO-KOLCDFICSA-N 2 2 290.304 3.075 20 0 CGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629524298 350701619 /nfs/dbraw/zinc/70/16/19/350701619.db2.gz QWHHHJZGGHDTOK-NWDGAFQWSA-N 2 2 264.756 3.056 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000629525760 350701977 /nfs/dbraw/zinc/70/19/77/350701977.db2.gz AYZOPXQXLPZMOW-WCFLWFBJSA-N 2 2 264.438 3.028 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000629655123 350731187 /nfs/dbraw/zinc/73/11/87/350731187.db2.gz SADASTBAMCLWIO-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000629655123 350731190 /nfs/dbraw/zinc/73/11/90/350731190.db2.gz SADASTBAMCLWIO-UHFFFAOYSA-N 2 2 278.396 3.335 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000631034112 350931743 /nfs/dbraw/zinc/93/17/43/350931743.db2.gz GKGOQKSDDMNWND-PLNGDYQASA-N 2 2 269.392 3.111 20 0 CGADLP Fc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000631114268 350959264 /nfs/dbraw/zinc/95/92/64/350959264.db2.gz AKCRJDKDYSIZOC-AWEZNQCLSA-N 2 2 295.361 3.280 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000631142034 350967471 /nfs/dbraw/zinc/96/74/71/350967471.db2.gz ZWPTUZIMYIURQZ-APHBUQMISA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000631142034 350967477 /nfs/dbraw/zinc/96/74/77/350967477.db2.gz ZWPTUZIMYIURQZ-APHBUQMISA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000631141742 350967996 /nfs/dbraw/zinc/96/79/96/350967996.db2.gz WNLRZTGGMIAINA-LAQIPUCWSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000631141742 350967999 /nfs/dbraw/zinc/96/79/99/350967999.db2.gz WNLRZTGGMIAINA-LAQIPUCWSA-N 2 2 295.430 3.495 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2oc3ccccc3c2Cl)c1 ZINC000631156865 350972471 /nfs/dbraw/zinc/97/24/71/350972471.db2.gz VMJVTQNBRLIEQN-UHFFFAOYSA-N 2 2 289.766 3.152 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000631243277 351002710 /nfs/dbraw/zinc/00/27/10/351002710.db2.gz ZAIVRZAZROOMES-UHFFFAOYSA-N 2 2 290.329 3.094 20 0 CGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](C)[NH+](C)C ZINC000631578405 351075021 /nfs/dbraw/zinc/07/50/21/351075021.db2.gz SLJOJRWRAYPZBQ-KBPBESRZSA-N 2 2 273.424 3.029 20 0 CGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000631626351 351095491 /nfs/dbraw/zinc/09/54/91/351095491.db2.gz PXTZIFKUJIBXLU-QGZVFWFLSA-N 2 2 297.402 3.005 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631891170 351152839 /nfs/dbraw/zinc/15/28/39/351152839.db2.gz YVDRHNHLYAAYSV-WFASDCNBSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631891170 351152844 /nfs/dbraw/zinc/15/28/44/351152844.db2.gz YVDRHNHLYAAYSV-WFASDCNBSA-N 2 2 282.790 3.053 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000634997489 351620315 /nfs/dbraw/zinc/62/03/15/351620315.db2.gz MGYZIVFFPHQXAF-CYBMUJFWSA-N 2 2 279.453 3.114 20 0 CGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000634997489 351620318 /nfs/dbraw/zinc/62/03/18/351620318.db2.gz MGYZIVFFPHQXAF-CYBMUJFWSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336497327 213370533 /nfs/dbraw/zinc/37/05/33/213370533.db2.gz SOEKMEBUVLQSIE-CVEARBPZSA-N 2 2 283.419 3.474 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[N@@H+]1C1CC1 ZINC000122282702 187024656 /nfs/dbraw/zinc/02/46/56/187024656.db2.gz HCBBLCLURITFSC-FZMZJTMJSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000122282702 187024657 /nfs/dbraw/zinc/02/46/57/187024657.db2.gz HCBBLCLURITFSC-FZMZJTMJSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000122309201 187025696 /nfs/dbraw/zinc/02/56/96/187025696.db2.gz YGUPJGHLAPZYBM-SMDDNHRTSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000122309201 187025697 /nfs/dbraw/zinc/02/56/97/187025697.db2.gz YGUPJGHLAPZYBM-SMDDNHRTSA-N 2 2 264.800 3.055 20 0 CGADLP C[C@H](C[NH2+]Cc1csc(-c2ccsc2)n1)C[NH+](C)C ZINC000291742458 198077147 /nfs/dbraw/zinc/07/71/47/198077147.db2.gz PBGCVZPPLQHDRO-LLVKDONJSA-N 2 2 295.477 3.159 20 0 CGADLP COc1cccc(F)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000122515820 187035792 /nfs/dbraw/zinc/03/57/92/187035792.db2.gz GGFVZAMNEAQJRX-CYBMUJFWSA-N 2 2 294.414 3.358 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123999725 187118183 /nfs/dbraw/zinc/11/81/83/187118183.db2.gz BBMXLCKBCBDZKB-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123999725 187118184 /nfs/dbraw/zinc/11/81/84/187118184.db2.gz BBMXLCKBCBDZKB-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123999725 187118185 /nfs/dbraw/zinc/11/81/85/187118185.db2.gz BBMXLCKBCBDZKB-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123999725 187118186 /nfs/dbraw/zinc/11/81/86/187118186.db2.gz BBMXLCKBCBDZKB-SWLSCSKDSA-N 2 2 296.842 3.263 20 0 CGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000271520836 191189376 /nfs/dbraw/zinc/18/93/76/191189376.db2.gz UURNYPDDZJAKPS-UHFFFAOYSA-N 2 2 278.827 3.447 20 0 CGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438798 234215175 /nfs/dbraw/zinc/21/51/75/234215175.db2.gz PIDFUFWBMWAYKO-DZGCQCFKSA-N 2 2 279.403 3.227 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368029185 234271934 /nfs/dbraw/zinc/27/19/34/234271934.db2.gz IHOKOAGDOCNQQS-GOSISDBHSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368029185 234271938 /nfs/dbraw/zinc/27/19/38/234271938.db2.gz IHOKOAGDOCNQQS-GOSISDBHSA-N 2 2 295.430 3.282 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368025974 234271966 /nfs/dbraw/zinc/27/19/66/234271966.db2.gz YYRVPVOUWHTOIJ-SFHVURJKSA-N 2 2 288.435 3.071 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cnc2ccsc2c1 ZINC000368104703 234282895 /nfs/dbraw/zinc/28/28/95/234282895.db2.gz IVNRXPUIYOXDSJ-PWSUYJOCSA-N 2 2 298.415 3.228 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cnc2ccsc2c1 ZINC000368104703 234282901 /nfs/dbraw/zinc/28/29/01/234282901.db2.gz IVNRXPUIYOXDSJ-PWSUYJOCSA-N 2 2 298.415 3.228 20 0 CGADLP Cc1cc(NC2CC[NH+](C)CC2)c2cccc(F)c2[nH+]1 ZINC000153031735 188060610 /nfs/dbraw/zinc/06/06/10/188060610.db2.gz QRXIBCQLIQRRFY-UHFFFAOYSA-N 2 2 273.355 3.188 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3ccccc3c1)C2 ZINC000368232117 234293349 /nfs/dbraw/zinc/29/33/49/234293349.db2.gz POVDBEFOKUZDDU-MRXNPFEDSA-N 2 2 277.371 3.210 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccc3ccccc3c1)CC2 ZINC000368232117 234293351 /nfs/dbraw/zinc/29/33/51/234293351.db2.gz POVDBEFOKUZDDU-MRXNPFEDSA-N 2 2 277.371 3.210 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321171 235048349 /nfs/dbraw/zinc/04/83/49/235048349.db2.gz HKBLCPTWIXYRBW-SQNIBIBYSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000411321171 235048350 /nfs/dbraw/zinc/04/83/50/235048350.db2.gz HKBLCPTWIXYRBW-SQNIBIBYSA-N 2 2 298.361 3.230 20 0 CGADLP Fc1ccc(C2=CC[C@H]([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000272515024 191762439 /nfs/dbraw/zinc/76/24/39/191762439.db2.gz XZTNBHWMMBCDOQ-KRWDZBQOSA-N 2 2 285.366 3.248 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000091261920 138343861 /nfs/dbraw/zinc/34/38/61/138343861.db2.gz JZCJRYKQPCWXPU-KRWDZBQOSA-N 2 2 287.407 3.269 20 0 CGADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000110513438 138363584 /nfs/dbraw/zinc/36/35/84/138363584.db2.gz WXCKTQWEKQGWMO-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000110513438 138363585 /nfs/dbraw/zinc/36/35/85/138363585.db2.gz WXCKTQWEKQGWMO-SFHVURJKSA-N 2 2 266.388 3.147 20 0 CGADLP Cc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1F ZINC000124351163 138374678 /nfs/dbraw/zinc/37/46/78/138374678.db2.gz BPIBJOQELAPLCK-UHFFFAOYSA-N 2 2 264.388 3.100 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000128224406 138392526 /nfs/dbraw/zinc/39/25/26/138392526.db2.gz GTVSOGAJWARKKO-QGZVFWFLSA-N 2 2 276.424 3.222 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000479269645 535358241 /nfs/dbraw/zinc/35/82/41/535358241.db2.gz MADJVNWUASBGKM-AEFFLSMTSA-N 2 2 272.436 3.453 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000479269645 535358244 /nfs/dbraw/zinc/35/82/44/535358244.db2.gz MADJVNWUASBGKM-AEFFLSMTSA-N 2 2 272.436 3.453 20 0 CGADLP Cc1cc2cc([C@@H](C)[NH2+]C[C@H]3CCC[NH2+]3)oc2cc1C ZINC000423229294 236003257 /nfs/dbraw/zinc/00/32/57/236003257.db2.gz AQHZLEQWBKRPDQ-UKRRQHHQSA-N 2 2 272.392 3.452 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232015 236004838 /nfs/dbraw/zinc/00/48/38/236004838.db2.gz BSOKASVCARCBJY-ROUUACIJSA-N 2 2 296.414 3.498 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000423253239 236009417 /nfs/dbraw/zinc/00/94/17/236009417.db2.gz YUOUVBGIAXTFFS-ZWKOTPCHSA-N 2 2 266.388 3.427 20 0 CGADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423252563 236009744 /nfs/dbraw/zinc/00/97/44/236009744.db2.gz XPWFPWSHYGTRKW-YOEHRIQHSA-N 2 2 284.403 3.436 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(C)o1 ZINC000423261543 236012439 /nfs/dbraw/zinc/01/24/39/236012439.db2.gz KBPDJEPZPDEDLV-BLLLJJGKSA-N 2 2 264.413 3.455 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000423288061 236025171 /nfs/dbraw/zinc/02/51/71/236025171.db2.gz QHJULRLBDNKKLK-VIFPVBQESA-N 2 2 266.772 3.474 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423321124 236038423 /nfs/dbraw/zinc/03/84/23/236038423.db2.gz MTZPXCYZBNXSGV-FZMZJTMJSA-N 2 2 258.365 3.129 20 0 CGADLP Cc1cc[nH+]cc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000336263409 213100384 /nfs/dbraw/zinc/10/03/84/213100384.db2.gz KFXHTCUFJMYNPF-CHWSQXEVSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402630 236065278 /nfs/dbraw/zinc/06/52/78/236065278.db2.gz RLPMHDVKAXLOHJ-SJCJKPOMSA-N 2 2 254.377 3.228 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1cccs1 ZINC000423415932 236067562 /nfs/dbraw/zinc/06/75/62/236067562.db2.gz FIMDFMNHEBURPC-SWLSCSKDSA-N 2 2 272.417 3.286 20 0 CGADLP CC1(C)CC([NH2+]Cc2ncc(Cl)s2)CC(C)(C)[NH2+]1 ZINC000225301572 138498553 /nfs/dbraw/zinc/49/85/53/138498553.db2.gz LGMGXRJXZFBJMO-UHFFFAOYSA-N 2 2 287.860 3.195 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000423525158 236092840 /nfs/dbraw/zinc/09/28/40/236092840.db2.gz KHZDTKCDZOLZIT-DOPJRALCSA-N 2 2 284.378 3.232 20 0 CGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423559829 236098989 /nfs/dbraw/zinc/09/89/89/236098989.db2.gz PHTSTHDNODHERL-WCQYABFASA-N 2 2 282.815 3.141 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000424367167 236156925 /nfs/dbraw/zinc/15/69/25/236156925.db2.gz KQWSAOOLFBJGQN-GHMZBOCLSA-N 2 2 291.197 3.492 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CC(CC(F)F)C2)n1-c1ccccc1 ZINC000425368626 236240062 /nfs/dbraw/zinc/24/00/62/236240062.db2.gz XFPMPDXBADXICB-UHFFFAOYSA-N 2 2 291.345 3.268 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000426492620 236298744 /nfs/dbraw/zinc/29/87/44/236298744.db2.gz SYZHBQMDMZKPFW-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]43)cc2)c[nH+]1 ZINC000426492620 236298746 /nfs/dbraw/zinc/29/87/46/236298746.db2.gz SYZHBQMDMZKPFW-WBVHZDCISA-N 2 2 267.376 3.247 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427897442 236353151 /nfs/dbraw/zinc/35/31/51/236353151.db2.gz XYPYZUVXDGGHGR-RDJZCZTQSA-N 2 2 295.430 3.482 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000428226555 236382068 /nfs/dbraw/zinc/38/20/68/236382068.db2.gz UXHNBZCWJIPLGO-HNNXBMFYSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000428226555 236382073 /nfs/dbraw/zinc/38/20/73/236382073.db2.gz UXHNBZCWJIPLGO-HNNXBMFYSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000428226555 236382074 /nfs/dbraw/zinc/38/20/74/236382074.db2.gz UXHNBZCWJIPLGO-HNNXBMFYSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1nc(C(C)C)oc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000428226555 236382078 /nfs/dbraw/zinc/38/20/78/236382078.db2.gz UXHNBZCWJIPLGO-HNNXBMFYSA-N 2 2 293.455 3.413 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1ncccc1C ZINC000294915351 199245779 /nfs/dbraw/zinc/24/57/79/199245779.db2.gz FGXZRJQTSMKYOH-UHFFFAOYSA-N 2 2 283.419 3.248 20 0 CGADLP CCc1ccc([C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297329950 200151289 /nfs/dbraw/zinc/15/12/89/200151289.db2.gz CSTCUIBCTPZJFO-SFHVURJKSA-N 2 2 297.446 3.405 20 0 CGADLP CCc1ccc([C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000297329950 200151290 /nfs/dbraw/zinc/15/12/90/200151290.db2.gz CSTCUIBCTPZJFO-SFHVURJKSA-N 2 2 297.446 3.405 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@@H+]1C ZINC000297444225 200192610 /nfs/dbraw/zinc/19/26/10/200192610.db2.gz WJUREJVFIFQWTL-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)ccc2F)CC[N@H+]1C ZINC000297444225 200192612 /nfs/dbraw/zinc/19/26/12/200192612.db2.gz WJUREJVFIFQWTL-MLGOLLRUSA-N 2 2 276.399 3.275 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)CN[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000297909348 200302744 /nfs/dbraw/zinc/30/27/44/200302744.db2.gz WPDZDISJXYEKSM-ZBFHGGJFSA-N 2 2 298.434 3.047 20 0 CGADLP Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000177112645 189029057 /nfs/dbraw/zinc/02/90/57/189029057.db2.gz QEGVOKVBMQCRHP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000177112645 189029058 /nfs/dbraw/zinc/02/90/58/189029058.db2.gz QEGVOKVBMQCRHP-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177118922 189030223 /nfs/dbraw/zinc/03/02/23/189030223.db2.gz VKADLYZXASEXAS-KBPBESRZSA-N 2 2 270.380 3.030 20 0 CGADLP C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178200166 189097100 /nfs/dbraw/zinc/09/71/00/189097100.db2.gz QLGLLTZAPLNRPZ-GJZGRUSLSA-N 2 2 299.418 3.338 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000178369571 189111151 /nfs/dbraw/zinc/11/11/51/189111151.db2.gz LAADILGODLNXTG-ZDUSSCGKSA-N 2 2 262.397 3.337 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1Cl ZINC000178473274 189119678 /nfs/dbraw/zinc/11/96/78/189119678.db2.gz XCMHYUUWRGKWRO-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1Cl ZINC000178473274 189119679 /nfs/dbraw/zinc/11/96/79/189119679.db2.gz XCMHYUUWRGKWRO-UHFFFAOYSA-N 2 2 284.190 3.322 20 0 CGADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000181006787 189286268 /nfs/dbraw/zinc/28/62/68/189286268.db2.gz GNPGGIVMNILDON-DLBZAZTESA-N 2 2 283.419 3.445 20 0 CGADLP Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc[nH+]1 ZINC000301463844 201018511 /nfs/dbraw/zinc/01/85/11/201018511.db2.gz GGUKEPDDQBYMHE-AWEZNQCLSA-N 2 2 290.798 3.153 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000301567922 201074175 /nfs/dbraw/zinc/07/41/75/201074175.db2.gz WVWIOGCLQKXIOT-NVXWUHKLSA-N 2 2 296.418 3.250 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000301567922 201074177 /nfs/dbraw/zinc/07/41/77/201074177.db2.gz WVWIOGCLQKXIOT-NVXWUHKLSA-N 2 2 296.418 3.250 20 0 CGADLP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301644856 201111589 /nfs/dbraw/zinc/11/15/89/201111589.db2.gz NKJVDYSLVBURIU-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301644856 201111592 /nfs/dbraw/zinc/11/15/92/201111592.db2.gz NKJVDYSLVBURIU-CQSZACIVSA-N 2 2 276.428 3.052 20 0 CGADLP Cc1cc[nH+]c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000301650112 201116528 /nfs/dbraw/zinc/11/65/28/201116528.db2.gz RLUTWYFGNTUXNX-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183164123 189348512 /nfs/dbraw/zinc/34/85/12/189348512.db2.gz QIJGTQZXXQSHKY-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183164123 189348513 /nfs/dbraw/zinc/34/85/13/189348513.db2.gz QIJGTQZXXQSHKY-KRWDZBQOSA-N 2 2 269.392 3.419 20 0 CGADLP CCOCC(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342409696 216341445 /nfs/dbraw/zinc/34/14/45/216341445.db2.gz DQKDXQDYSVQULF-UHFFFAOYSA-N 2 2 293.436 3.086 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119852679 370715794 /nfs/dbraw/zinc/71/57/94/370715794.db2.gz MHJBXDWAGPXVRE-GUTXKFCHSA-N 2 2 296.480 3.206 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119852679 370715800 /nfs/dbraw/zinc/71/58/00/370715800.db2.gz MHJBXDWAGPXVRE-GUTXKFCHSA-N 2 2 296.480 3.206 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1C(F)(F)F ZINC000422918053 299344471 /nfs/dbraw/zinc/34/44/71/299344471.db2.gz HGRNQGPQAMBRRW-COPLHBTASA-N 2 2 286.341 3.497 20 0 CGADLP CC[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000450855787 240120605 /nfs/dbraw/zinc/12/06/05/240120605.db2.gz GVKZSJODUQUXDA-LBPRGKRZSA-N 2 2 275.421 3.217 20 0 CGADLP C[C@@]1(F)CCC[N@@H+](C/C=C\C[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451111613 240219755 /nfs/dbraw/zinc/21/97/55/240219755.db2.gz GBOSBQFRXKNZOW-SSGMOAHOSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@]1(F)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111613 240219758 /nfs/dbraw/zinc/21/97/58/240219758.db2.gz GBOSBQFRXKNZOW-SSGMOAHOSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@]1(F)CCC[NH+](C/C=C\C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451111613 240219761 /nfs/dbraw/zinc/21/97/61/240219761.db2.gz GBOSBQFRXKNZOW-SSGMOAHOSA-N 2 2 286.410 3.191 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2sccc21 ZINC000453063771 240682241 /nfs/dbraw/zinc/68/22/41/240682241.db2.gz VKYDEQAFKVMCMX-DGCLKSJQSA-N 2 2 261.394 3.173 20 0 CGADLP Cc1ccc(CCC[NH2+]CCOCC2CCCC2)c[nH+]1 ZINC000453581792 240962697 /nfs/dbraw/zinc/96/26/97/240962697.db2.gz HGDQBSNPHKVAPQ-UHFFFAOYSA-N 2 2 276.424 3.119 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)on1 ZINC000121150114 370835238 /nfs/dbraw/zinc/83/52/38/370835238.db2.gz HNHCXXMIPZZILG-XJKSGUPXSA-N 2 2 293.455 3.398 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)on1 ZINC000121150114 370835241 /nfs/dbraw/zinc/83/52/41/370835241.db2.gz HNHCXXMIPZZILG-XJKSGUPXSA-N 2 2 293.455 3.398 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000459326474 242074234 /nfs/dbraw/zinc/07/42/34/242074234.db2.gz MUGUREMZGGYIPC-UHFFFAOYSA-N 2 2 297.446 3.450 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000459326474 242074239 /nfs/dbraw/zinc/07/42/39/242074239.db2.gz MUGUREMZGGYIPC-UHFFFAOYSA-N 2 2 297.446 3.450 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000479441450 243103177 /nfs/dbraw/zinc/10/31/77/243103177.db2.gz UIQLHXWXFAKKAF-YOEHRIQHSA-N 2 2 272.436 3.354 20 0 CGADLP CCCc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000479441450 243103181 /nfs/dbraw/zinc/10/31/81/243103181.db2.gz UIQLHXWXFAKKAF-YOEHRIQHSA-N 2 2 272.436 3.354 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000480082326 243137922 /nfs/dbraw/zinc/13/79/22/243137922.db2.gz CZFMCGGYKSCZLU-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000480082326 243137926 /nfs/dbraw/zinc/13/79/26/243137926.db2.gz CZFMCGGYKSCZLU-RBUKOAKNSA-N 2 2 286.463 3.390 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000480095458 243138250 /nfs/dbraw/zinc/13/82/50/243138250.db2.gz PEEHAJPOOHJVAM-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000480095458 243138252 /nfs/dbraw/zinc/13/82/52/243138252.db2.gz PEEHAJPOOHJVAM-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480263295 243143121 /nfs/dbraw/zinc/14/31/21/243143121.db2.gz LRASDSVXPRKTIZ-OLZOCXBDSA-N 2 2 280.378 3.429 20 0 CGADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480263295 243143125 /nfs/dbraw/zinc/14/31/25/243143125.db2.gz LRASDSVXPRKTIZ-OLZOCXBDSA-N 2 2 280.378 3.429 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)Cc1ccccc1 ZINC000481985212 243211521 /nfs/dbraw/zinc/21/15/21/243211521.db2.gz XNQLROTUGAWCSF-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)Cc1ccccc1 ZINC000481985212 243211526 /nfs/dbraw/zinc/21/15/26/243211526.db2.gz XNQLROTUGAWCSF-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)Cc1ccccc1 ZINC000481985212 243211530 /nfs/dbraw/zinc/21/15/30/243211530.db2.gz XNQLROTUGAWCSF-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)Cc1ccccc1 ZINC000481985212 243211534 /nfs/dbraw/zinc/21/15/34/243211534.db2.gz XNQLROTUGAWCSF-UHOSZYNNSA-N 2 2 286.463 3.424 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000483518379 243290291 /nfs/dbraw/zinc/29/02/91/243290291.db2.gz IIMZGNXNFHFERN-OAHLLOKOSA-N 2 2 299.393 3.412 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]Cc1ccsc1)c1ccccc1 ZINC000020093899 368801006 /nfs/dbraw/zinc/80/10/06/368801006.db2.gz ULFXUAHSYYGYHE-OAHLLOKOSA-N 2 2 260.406 3.141 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1Br ZINC000019958592 368789142 /nfs/dbraw/zinc/78/91/42/368789142.db2.gz VHPZRJBVZVBUKC-NSHDSACASA-N 2 2 285.229 3.051 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019960828 368790517 /nfs/dbraw/zinc/79/05/17/368790517.db2.gz WNQKTZAPXNKFAD-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019960828 368790522 /nfs/dbraw/zinc/79/05/22/368790522.db2.gz WNQKTZAPXNKFAD-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842679 369033640 /nfs/dbraw/zinc/03/36/40/369033640.db2.gz WWABUEWDODVWAJ-BDVYOWHSSA-N 2 2 276.399 3.146 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842679 369033645 /nfs/dbraw/zinc/03/36/45/369033645.db2.gz WWABUEWDODVWAJ-BDVYOWHSSA-N 2 2 276.399 3.146 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000037157402 369072016 /nfs/dbraw/zinc/07/20/16/369072016.db2.gz NGGUFIYPOMMRJU-NWDGAFQWSA-N 2 2 263.772 3.276 20 0 CGADLP CC(C)CC(CC(C)C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037156884 369072295 /nfs/dbraw/zinc/07/22/95/369072295.db2.gz UUAPBWVFMHHTOJ-CQSZACIVSA-N 2 2 251.418 3.322 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1OC ZINC000037213783 369077120 /nfs/dbraw/zinc/07/71/20/369077120.db2.gz JBHVFKULUDFTKY-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1OC ZINC000037213783 369077124 /nfs/dbraw/zinc/07/71/24/369077124.db2.gz JBHVFKULUDFTKY-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649229 369097673 /nfs/dbraw/zinc/09/76/73/369097673.db2.gz XPTMQAQEACZGNA-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000037649229 369097674 /nfs/dbraw/zinc/09/76/74/369097674.db2.gz XPTMQAQEACZGNA-RYUDHWBXSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000041064050 369170595 /nfs/dbraw/zinc/17/05/95/369170595.db2.gz YQFYJMPQDWAMIX-LLVKDONJSA-N 2 2 283.297 3.253 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119440 369174789 /nfs/dbraw/zinc/17/47/89/369174789.db2.gz PXCISHINDFJWFR-INIZCTEOSA-N 2 2 257.381 3.186 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000041631413 369193875 /nfs/dbraw/zinc/19/38/75/369193875.db2.gz ZOSYQXZJYBGKLR-NEPJUHHUSA-N 2 2 263.410 3.246 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044685052 369265326 /nfs/dbraw/zinc/26/53/26/369265326.db2.gz YVYVBBAVHZKFGK-GOEBONIOSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044685052 369265331 /nfs/dbraw/zinc/26/53/31/369265331.db2.gz YVYVBBAVHZKFGK-GOEBONIOSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494410376 244286312 /nfs/dbraw/zinc/28/63/12/244286312.db2.gz FNJAVLPUOMTWLN-CYBMUJFWSA-N 2 2 281.359 3.042 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1C ZINC000494921909 244331160 /nfs/dbraw/zinc/33/11/60/244331160.db2.gz JRMMJKYVIAMADC-GLJUWKHASA-N 2 2 290.426 3.424 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1C ZINC000494921912 244331690 /nfs/dbraw/zinc/33/16/90/244331690.db2.gz JRMMJKYVIAMADC-LBTNJELSSA-N 2 2 290.426 3.424 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1C ZINC000494921913 244332142 /nfs/dbraw/zinc/33/21/42/244332142.db2.gz JRMMJKYVIAMADC-QWQRMKEZSA-N 2 2 290.426 3.424 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125701 244359029 /nfs/dbraw/zinc/35/90/29/244359029.db2.gz BSJHUAZVOZHWNZ-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125701 244359015 /nfs/dbraw/zinc/35/90/15/244359015.db2.gz BSJHUAZVOZHWNZ-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125701 244359022 /nfs/dbraw/zinc/35/90/22/244359022.db2.gz BSJHUAZVOZHWNZ-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc4ccccc4s3)[C@H]2C1 ZINC000495125701 244359025 /nfs/dbraw/zinc/35/90/25/244359025.db2.gz BSJHUAZVOZHWNZ-BBRMVZONSA-N 2 2 286.444 3.427 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129452559 370987006 /nfs/dbraw/zinc/98/70/06/370987006.db2.gz ANXSIEGPBMPPLE-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129452559 370987010 /nfs/dbraw/zinc/98/70/10/370987010.db2.gz ANXSIEGPBMPPLE-WBMJQRKESA-N 2 2 291.345 3.244 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000063192208 369643900 /nfs/dbraw/zinc/64/39/00/369643900.db2.gz AYJVUERQBWXVRC-BFYDXBDKSA-N 2 2 260.425 3.382 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000063192208 369643906 /nfs/dbraw/zinc/64/39/06/369643906.db2.gz AYJVUERQBWXVRC-BFYDXBDKSA-N 2 2 260.425 3.382 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sccc1C ZINC000070089772 369779317 /nfs/dbraw/zinc/77/93/17/369779317.db2.gz UJGRFIKECRPFLS-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1sccc1C ZINC000070089772 369779321 /nfs/dbraw/zinc/77/93/21/369779321.db2.gz UJGRFIKECRPFLS-QWHCGFSZSA-N 2 2 252.427 3.191 20 0 CGADLP CC(C)(C)c1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000070149867 369782427 /nfs/dbraw/zinc/78/24/27/369782427.db2.gz WXQVUIBHFLQSDQ-CYBMUJFWSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)(C)c1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000070149867 369782436 /nfs/dbraw/zinc/78/24/36/369782436.db2.gz WXQVUIBHFLQSDQ-CYBMUJFWSA-N 2 2 281.469 3.144 20 0 CGADLP CC(C)n1c[nH+]cc1CNc1cccc(C[NH+](C)C)c1 ZINC000090207964 370057465 /nfs/dbraw/zinc/05/74/65/370057465.db2.gz NZJBQEBHIAYQTL-UHFFFAOYSA-N 2 2 272.396 3.138 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000093645009 370152646 /nfs/dbraw/zinc/15/26/46/370152646.db2.gz FKFYNUSGCUROAN-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000093645009 370152650 /nfs/dbraw/zinc/15/26/50/370152650.db2.gz FKFYNUSGCUROAN-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645009 370152655 /nfs/dbraw/zinc/15/26/55/370152655.db2.gz FKFYNUSGCUROAN-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645009 370152658 /nfs/dbraw/zinc/15/26/58/370152658.db2.gz FKFYNUSGCUROAN-DGCLKSJQSA-N 2 2 284.806 3.394 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660111 370153242 /nfs/dbraw/zinc/15/32/42/370153242.db2.gz PGQSFOUQMSFFCG-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660111 370153247 /nfs/dbraw/zinc/15/32/47/370153247.db2.gz PGQSFOUQMSFFCG-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660111 370153252 /nfs/dbraw/zinc/15/32/52/370153252.db2.gz PGQSFOUQMSFFCG-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660111 370153257 /nfs/dbraw/zinc/15/32/57/370153257.db2.gz PGQSFOUQMSFFCG-HNNXBMFYSA-N 2 2 292.471 3.013 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C12CCCCC2 ZINC000097928122 370257467 /nfs/dbraw/zinc/25/74/67/370257467.db2.gz GAOXDXVKRPTGGG-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510679884 244963368 /nfs/dbraw/zinc/96/33/68/244963368.db2.gz HISWEFMHJQAILX-IKGGRYGDSA-N 2 2 264.457 3.419 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510679884 244963375 /nfs/dbraw/zinc/96/33/75/244963375.db2.gz HISWEFMHJQAILX-IKGGRYGDSA-N 2 2 264.457 3.419 20 0 CGADLP CCc1cccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111243106 370395126 /nfs/dbraw/zinc/39/51/26/370395126.db2.gz LEYAHYKNYNLIQV-UHFFFAOYSA-N 2 2 299.418 3.161 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000114718694 370508410 /nfs/dbraw/zinc/50/84/10/370508410.db2.gz LPNDHGOEDYHIFM-RMKNXTFCSA-N 2 2 258.409 3.162 20 0 CGADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000131842093 371133101 /nfs/dbraw/zinc/13/31/01/371133101.db2.gz XXOYTNFEGRJSBW-HNNXBMFYSA-N 2 2 275.371 3.399 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131754353 371127683 /nfs/dbraw/zinc/12/76/83/371127683.db2.gz NUXPKFWLCPPLQS-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131754353 371127687 /nfs/dbraw/zinc/12/76/87/371127687.db2.gz NUXPKFWLCPPLQS-KRWDZBQOSA-N 2 2 268.360 3.043 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344025004 217014004 /nfs/dbraw/zinc/01/40/04/217014004.db2.gz RKDLLTKVCAOEMV-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344025004 217014006 /nfs/dbraw/zinc/01/40/06/217014006.db2.gz RKDLLTKVCAOEMV-WBVHZDCISA-N 2 2 276.399 3.277 20 0 CGADLP Clc1ccc(C[NH+]2CCC([NH2+]C3CC3)CC2)cc1 ZINC000132726980 371198150 /nfs/dbraw/zinc/19/81/50/371198150.db2.gz JTEDXHHGQXRZHH-UHFFFAOYSA-N 2 2 264.800 3.056 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000136481439 371477706 /nfs/dbraw/zinc/47/77/06/371477706.db2.gz UXLUINNIPCVLHT-QFBILLFUSA-N 2 2 297.446 3.025 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000136481439 371477710 /nfs/dbraw/zinc/47/77/10/371477710.db2.gz UXLUINNIPCVLHT-QFBILLFUSA-N 2 2 297.446 3.025 20 0 CGADLP CCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000150978465 371554992 /nfs/dbraw/zinc/55/49/92/371554992.db2.gz ZJIKGTGWKJGTJB-UHFFFAOYSA-N 2 2 276.424 3.339 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000151112877 371570342 /nfs/dbraw/zinc/57/03/42/371570342.db2.gz GBLSDGQDRHXDRA-MRXNPFEDSA-N 2 2 272.396 3.045 20 0 CGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000151109011 371570488 /nfs/dbraw/zinc/57/04/88/371570488.db2.gz CUGMMYZWWJDHDV-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000151109011 371570496 /nfs/dbraw/zinc/57/04/96/371570496.db2.gz CUGMMYZWWJDHDV-QWHCGFSZSA-N 2 2 281.831 3.118 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000151155441 371578466 /nfs/dbraw/zinc/57/84/66/371578466.db2.gz SWCWCTINTROZAW-GOSISDBHSA-N 2 2 283.419 3.193 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2ccccc21)[NH+]1CCCC1 ZINC000151668983 371624237 /nfs/dbraw/zinc/62/42/37/371624237.db2.gz CQQAIZDSIUNVPT-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000421824401 371647435 /nfs/dbraw/zinc/64/74/35/371647435.db2.gz ILYDFMUVCDQCMM-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000421824401 371647443 /nfs/dbraw/zinc/64/74/43/371647443.db2.gz ILYDFMUVCDQCMM-DGCLKSJQSA-N 2 2 282.815 3.093 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000152568313 371705388 /nfs/dbraw/zinc/70/53/88/371705388.db2.gz DITXYYQEBCPGNN-XHSDSOJGSA-N 2 2 294.439 3.066 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000152568313 371705395 /nfs/dbraw/zinc/70/53/95/371705395.db2.gz DITXYYQEBCPGNN-XHSDSOJGSA-N 2 2 294.439 3.066 20 0 CGADLP C[C@@H](CSC(C)(C)C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152777482 371724230 /nfs/dbraw/zinc/72/42/30/371724230.db2.gz PMDFFAJUXMERFV-ZDUSSCGKSA-N 2 2 295.496 3.272 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@H+](C)C1CC1 ZINC000337346188 214020775 /nfs/dbraw/zinc/02/07/75/214020775.db2.gz VYNONMUPRDBAPH-BFYDXBDKSA-N 2 2 287.451 3.180 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000337346188 214020777 /nfs/dbraw/zinc/02/07/77/214020777.db2.gz VYNONMUPRDBAPH-BFYDXBDKSA-N 2 2 287.451 3.180 20 0 CGADLP Fc1cccc(Cl)c1CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422559160 371749867 /nfs/dbraw/zinc/74/98/67/371749867.db2.gz CLWSMSDAAPKMNS-UHFFFAOYSA-N 2 2 296.817 3.240 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1OC1CCCC1 ZINC000422698501 371756342 /nfs/dbraw/zinc/75/63/42/371756342.db2.gz ZOFBHHPOQJOLLL-WMLDXEAASA-N 2 2 288.435 3.096 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422718666 371766286 /nfs/dbraw/zinc/76/62/86/371766286.db2.gz XGHCUEQXTPXOAF-BNOWGMLFSA-N 2 2 286.341 3.410 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1F ZINC000422736521 371774743 /nfs/dbraw/zinc/77/47/43/371774743.db2.gz GKXLKZTZXXKUSR-YVEFUNNKSA-N 2 2 290.357 3.013 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422752636 371784435 /nfs/dbraw/zinc/78/44/35/371784435.db2.gz CUCVJCKSZAQCLI-BBWFWOEESA-N 3 2 289.467 3.087 20 0 CGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422775864 371799143 /nfs/dbraw/zinc/79/91/43/371799143.db2.gz BOIRQZKJQRZWBY-UONOGXRCSA-N 2 2 270.779 3.229 20 0 CGADLP COC1(C[NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000289782336 371821020 /nfs/dbraw/zinc/82/10/20/371821020.db2.gz RMIKCKSKFVABIR-UHFFFAOYSA-N 2 2 276.424 3.262 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422806550 371823340 /nfs/dbraw/zinc/82/33/40/371823340.db2.gz NOLCLWWPDNSTGN-YVEFUNNKSA-N 2 2 290.357 3.013 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154581681 371857224 /nfs/dbraw/zinc/85/72/24/371857224.db2.gz PUXDMRLWXQZRPG-IAGOWNOFSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154581681 371857230 /nfs/dbraw/zinc/85/72/30/371857230.db2.gz PUXDMRLWXQZRPG-IAGOWNOFSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)[C@H]1CCCC[NH2+]1 ZINC000422914625 371864899 /nfs/dbraw/zinc/86/48/99/371864899.db2.gz VFBCCZUFUNGWRE-RHSMWYFYSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Oc1ccccc1Cl ZINC000422919623 371870161 /nfs/dbraw/zinc/87/01/61/371870161.db2.gz KMQNLWOJKICTBR-IPYPFGDCSA-N 2 2 296.842 3.228 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000289996646 371871740 /nfs/dbraw/zinc/87/17/40/371871740.db2.gz KTZUUYLXXGRQMD-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000289996646 371871757 /nfs/dbraw/zinc/87/17/57/371871757.db2.gz KTZUUYLXXGRQMD-KRWDZBQOSA-N 2 2 276.424 3.070 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000422925208 371874366 /nfs/dbraw/zinc/87/43/66/371874366.db2.gz AQEZTMSBTGQXCB-QWRGUYRKSA-N 2 2 258.818 3.022 20 0 CGADLP Fc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000422937223 371881426 /nfs/dbraw/zinc/88/14/26/371881426.db2.gz OBOBTZJSJNEYIJ-GOSISDBHSA-N 2 2 284.378 3.257 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000422844266 371836302 /nfs/dbraw/zinc/83/63/02/371836302.db2.gz LJFAHCGHNKCASM-BYCMXARLSA-N 2 2 294.439 3.483 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422841446 371837292 /nfs/dbraw/zinc/83/72/92/371837292.db2.gz DAVXQLBAAVZBHR-YOEHRIQHSA-N 2 2 297.402 3.104 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)CCCC[NH3+])[NH+](C)C ZINC000423058938 371939710 /nfs/dbraw/zinc/93/97/10/371939710.db2.gz KTFANBHDQWOQHU-RYRKJORJSA-N 3 2 291.483 3.093 20 0 CGADLP C[C@@H](C1CC1)[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000290055836 371889496 /nfs/dbraw/zinc/88/94/96/371889496.db2.gz PATGNXWIZBWDLM-HNNXBMFYSA-N 2 2 283.419 3.263 20 0 CGADLP C[C@@H](C1CC1)[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000290055836 371889501 /nfs/dbraw/zinc/88/95/01/371889501.db2.gz PATGNXWIZBWDLM-HNNXBMFYSA-N 2 2 283.419 3.263 20 0 CGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)c2ccccc21 ZINC000422959518 371892634 /nfs/dbraw/zinc/89/26/34/371892634.db2.gz SKCCRFOSRYMOMO-IKGGRYGDSA-N 2 2 298.361 3.384 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000155043931 371901234 /nfs/dbraw/zinc/90/12/34/371901234.db2.gz PXSLZPGXZUVRQP-MLGOLLRUSA-N 2 2 282.378 3.299 20 0 CGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000155043931 371901239 /nfs/dbraw/zinc/90/12/39/371901239.db2.gz PXSLZPGXZUVRQP-MLGOLLRUSA-N 2 2 282.378 3.299 20 0 CGADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000344109280 217054748 /nfs/dbraw/zinc/05/47/48/217054748.db2.gz JYQLOAIVCVXNGV-UHFFFAOYSA-N 2 2 261.394 3.356 20 0 CGADLP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000423023095 371920449 /nfs/dbraw/zinc/92/04/49/371920449.db2.gz IXRCXHSPENLSJT-TVQRCGJNSA-N 2 2 290.304 3.017 20 0 CGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423029993 371923996 /nfs/dbraw/zinc/92/39/96/371923996.db2.gz AZWDUDSQJIVCPV-BHTHQVBYSA-N 2 2 296.842 3.146 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000423031753 371924623 /nfs/dbraw/zinc/92/46/23/371924623.db2.gz DKPNQUKIDFEFIZ-CABCVRRESA-N 2 2 294.826 3.025 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306019 371959760 /nfs/dbraw/zinc/95/97/60/371959760.db2.gz IIJSZRPZFSYEKG-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306019 371959762 /nfs/dbraw/zinc/95/97/62/371959762.db2.gz IIJSZRPZFSYEKG-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306019 371959764 /nfs/dbraw/zinc/95/97/64/371959764.db2.gz IIJSZRPZFSYEKG-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)[C@@H]2C1 ZINC000290306019 371959766 /nfs/dbraw/zinc/95/97/66/371959766.db2.gz IIJSZRPZFSYEKG-DTPTURRISA-N 2 2 292.373 3.004 20 0 CGADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423096687 371961170 /nfs/dbraw/zinc/96/11/70/371961170.db2.gz IBMMWKVWCSTIHP-SGMGOOAPSA-N 2 2 264.438 3.200 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423110438 371972216 /nfs/dbraw/zinc/97/22/16/371972216.db2.gz IBMMWKVWCSTIHP-BZPMIXESSA-N 2 2 264.438 3.200 20 0 CGADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423115536 371975465 /nfs/dbraw/zinc/97/54/65/371975465.db2.gz YETFXNSBKLEVKO-MFKMUULPSA-N 2 2 288.769 3.149 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423127304 371979929 /nfs/dbraw/zinc/97/99/29/371979929.db2.gz BULCVVWZPUOYFL-RISCZKNCSA-N 2 2 268.351 3.028 20 0 CGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423128161 371979946 /nfs/dbraw/zinc/97/99/46/371979946.db2.gz KKVYSCPCZAKTTN-QZTJIDSGSA-N 2 2 284.378 3.462 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1c[nH+]ccc1N ZINC000423133431 371984963 /nfs/dbraw/zinc/98/49/63/371984963.db2.gz KLCRZGNNQHRZLE-LLVKDONJSA-N 2 2 291.345 3.457 20 0 CGADLP CCC1(CC)CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423076025 371950413 /nfs/dbraw/zinc/95/04/13/371950413.db2.gz YFGOABWAFJUURW-ZBFHGGJFSA-N 2 2 282.472 3.092 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1F ZINC000423174646 372003684 /nfs/dbraw/zinc/00/36/84/372003684.db2.gz BOACVSHPMDYCKS-NSHDSACASA-N 2 2 268.351 3.277 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1F ZINC000423195433 372018935 /nfs/dbraw/zinc/01/89/35/372018935.db2.gz SMMZSHYYLMJPPQ-GXFFZTMASA-N 2 2 270.779 3.272 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)c(F)c1 ZINC000423195971 372021939 /nfs/dbraw/zinc/02/19/39/372021939.db2.gz YQOFQEQWTFZHFG-LBPRGKRZSA-N 2 2 274.339 3.227 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCCC2 ZINC000423204198 372028706 /nfs/dbraw/zinc/02/87/06/372028706.db2.gz NYMWLRBITPHLJK-UKRRQHHQSA-N 2 2 264.800 3.059 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)oc1C ZINC000423175146 372004373 /nfs/dbraw/zinc/00/43/73/372004373.db2.gz DFDUGHIDZLDHDZ-LBPRGKRZSA-N 2 2 250.386 3.209 20 0 CGADLP COCC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccco1 ZINC000290514787 372007649 /nfs/dbraw/zinc/00/76/49/372007649.db2.gz XEFPGKWWFCUOBO-INIZCTEOSA-N 2 2 288.391 3.283 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000344184461 217089145 /nfs/dbraw/zinc/08/91/45/217089145.db2.gz ATPUXXCZACPFNH-SJKOYZFVSA-N 2 2 285.435 3.133 20 0 CGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000344184461 217089148 /nfs/dbraw/zinc/08/91/48/217089148.db2.gz ATPUXXCZACPFNH-SJKOYZFVSA-N 2 2 285.435 3.133 20 0 CGADLP CCC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000423186298 372012746 /nfs/dbraw/zinc/01/27/46/372012746.db2.gz OGQTYNUVXAGJCS-LBPRGKRZSA-N 2 2 261.196 3.383 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+][C@@H]1CCCC12CCC2 ZINC000423429058 372062758 /nfs/dbraw/zinc/06/27/58/372062758.db2.gz OSIREQRDEIFNCJ-DLBZAZTESA-N 2 2 270.420 3.186 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423433931 372064056 /nfs/dbraw/zinc/06/40/56/372064056.db2.gz COHKXTUUJLVHJA-YVZVNANGSA-N 2 2 273.207 3.306 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(Br)c1 ZINC000159299002 372129283 /nfs/dbraw/zinc/12/92/83/372129283.db2.gz ZEJRMGPOVDYPIT-LBPRGKRZSA-N 2 2 299.256 3.187 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000292871062 372232903 /nfs/dbraw/zinc/23/29/03/372232903.db2.gz SLTMLYXLANRCGI-PBHICJAKSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000292871062 372232908 /nfs/dbraw/zinc/23/29/08/372232908.db2.gz SLTMLYXLANRCGI-PBHICJAKSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000292871062 372232912 /nfs/dbraw/zinc/23/29/12/372232912.db2.gz SLTMLYXLANRCGI-PBHICJAKSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000292871062 372232916 /nfs/dbraw/zinc/23/29/16/372232916.db2.gz SLTMLYXLANRCGI-PBHICJAKSA-N 2 2 289.467 3.428 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000040672977 541870160 /nfs/dbraw/zinc/87/01/60/541870160.db2.gz XSWAMJUXJYAKAQ-SJORKVTESA-N 2 2 258.409 3.130 20 0 CGADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000040672977 541870166 /nfs/dbraw/zinc/87/01/66/541870166.db2.gz XSWAMJUXJYAKAQ-SJORKVTESA-N 2 2 258.409 3.130 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672704 541869327 /nfs/dbraw/zinc/86/93/27/541869327.db2.gz SPNNLCMXFLJGGK-SJORKVTESA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672704 541869330 /nfs/dbraw/zinc/86/93/30/541869330.db2.gz SPNNLCMXFLJGGK-SJORKVTESA-N 2 2 260.425 3.384 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672635 541870500 /nfs/dbraw/zinc/87/05/00/541870500.db2.gz ILLJETHZGOVKSD-YOEHRIQHSA-N 2 2 272.436 3.483 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000040672635 541870504 /nfs/dbraw/zinc/87/05/04/541870504.db2.gz ILLJETHZGOVKSD-YOEHRIQHSA-N 2 2 272.436 3.483 20 0 CGADLP COCC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000293089569 372296493 /nfs/dbraw/zinc/29/64/93/372296493.db2.gz WWLMNAQFSOBBMI-UHFFFAOYSA-N 2 2 299.418 3.169 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344299054 217139045 /nfs/dbraw/zinc/13/90/45/217139045.db2.gz GCPREUVHOWGUPS-QAPCUYQASA-N 2 2 290.451 3.294 20 0 CGADLP CC(C)COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344299054 217139047 /nfs/dbraw/zinc/13/90/47/217139047.db2.gz GCPREUVHOWGUPS-QAPCUYQASA-N 2 2 290.451 3.294 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000040672562 541870845 /nfs/dbraw/zinc/87/08/45/541870845.db2.gz GMQZNTRPUPKCMQ-AAEUAGOBSA-N 2 2 252.427 3.110 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000040672562 541870848 /nfs/dbraw/zinc/87/08/48/541870848.db2.gz GMQZNTRPUPKCMQ-AAEUAGOBSA-N 2 2 252.427 3.110 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@@H+]1C ZINC000344343487 217160397 /nfs/dbraw/zinc/16/03/97/217160397.db2.gz CYXQZXNHUBXRJN-FZMZJTMJSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCC[N@H+]1C ZINC000344343487 217160398 /nfs/dbraw/zinc/16/03/98/217160398.db2.gz CYXQZXNHUBXRJN-FZMZJTMJSA-N 2 2 297.240 3.021 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000430971038 372411951 /nfs/dbraw/zinc/41/19/51/372411951.db2.gz MHNKVTUTNQQYNE-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000163421548 372469598 /nfs/dbraw/zinc/46/95/98/372469598.db2.gz XILSZYFKFHGWIG-BBRMVZONSA-N 2 2 296.842 3.101 20 0 CGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000163421548 372469603 /nfs/dbraw/zinc/46/96/03/372469603.db2.gz XILSZYFKFHGWIG-BBRMVZONSA-N 2 2 296.842 3.101 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163848842 372494312 /nfs/dbraw/zinc/49/43/12/372494312.db2.gz NDLLNQFKJNLRHD-CQSZACIVSA-N 2 2 285.391 3.243 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344870 372572050 /nfs/dbraw/zinc/57/20/50/372572050.db2.gz ILXSTSUIUYLRNC-AXAPSJFSSA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000166344870 372572055 /nfs/dbraw/zinc/57/20/55/372572055.db2.gz ILXSTSUIUYLRNC-AXAPSJFSSA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293977885 372544811 /nfs/dbraw/zinc/54/48/11/372544811.db2.gz DLDOCESJAWQGBQ-AWEZNQCLSA-N 2 2 269.392 3.329 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000294267679 372633069 /nfs/dbraw/zinc/63/30/69/372633069.db2.gz RKIBXEDYNCIUIU-AEGPPILISA-N 2 2 264.438 3.334 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cs1 ZINC000294267679 372633072 /nfs/dbraw/zinc/63/30/72/372633072.db2.gz RKIBXEDYNCIUIU-AEGPPILISA-N 2 2 264.438 3.334 20 0 CGADLP CC(C)(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000294979608 372682675 /nfs/dbraw/zinc/68/26/75/372682675.db2.gz KLOKJSUZDFEHHH-UHFFFAOYSA-N 2 2 287.451 3.466 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000344528839 217222704 /nfs/dbraw/zinc/22/27/04/217222704.db2.gz QKYJBEIKFDMSQS-ZSHCYNCHSA-N 2 2 296.499 3.290 20 0 CGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000435876255 372822759 /nfs/dbraw/zinc/82/27/59/372822759.db2.gz HQZSEQKHARHRPV-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000435876255 372822763 /nfs/dbraw/zinc/82/27/63/372822763.db2.gz HQZSEQKHARHRPV-KRWDZBQOSA-N 2 2 298.434 3.132 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437073266 372845650 /nfs/dbraw/zinc/84/56/50/372845650.db2.gz FYPZERNCNFEFIZ-DRZSPHRISA-N 2 2 278.362 3.036 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437073266 372845658 /nfs/dbraw/zinc/84/56/58/372845658.db2.gz FYPZERNCNFEFIZ-DRZSPHRISA-N 2 2 278.362 3.036 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000438087233 372873861 /nfs/dbraw/zinc/87/38/61/372873861.db2.gz WQFZNLLUSQCSLB-GJZGRUSLSA-N 2 2 278.415 3.393 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000344694107 217278891 /nfs/dbraw/zinc/27/88/91/217278891.db2.gz ATEMRSISOPUCQG-GSPCDJLXSA-N 2 2 290.476 3.117 20 0 CGADLP CC[N@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C(C)C ZINC000353494806 220118627 /nfs/dbraw/zinc/11/86/27/220118627.db2.gz FNRRUOWZJSEOGJ-INIZCTEOSA-N 2 2 292.471 3.351 20 0 CGADLP CC[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)C(C)C ZINC000353494806 220118628 /nfs/dbraw/zinc/11/86/28/220118628.db2.gz FNRRUOWZJSEOGJ-INIZCTEOSA-N 2 2 292.471 3.351 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC(C)(F)F ZINC000295932682 372963875 /nfs/dbraw/zinc/96/38/75/372963875.db2.gz FVUJQRJNPFVFSF-UHFFFAOYSA-N 2 2 256.340 3.348 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cs1 ZINC000296158326 373041229 /nfs/dbraw/zinc/04/12/29/373041229.db2.gz XBDYYDVXHRZAGY-ZDUSSCGKSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000344846624 217331386 /nfs/dbraw/zinc/33/13/86/217331386.db2.gz FAUAYODGMOLJDF-IRXDYDNUSA-N 2 2 285.391 3.198 20 0 CGADLP Clc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000173875923 373206115 /nfs/dbraw/zinc/20/61/15/373206115.db2.gz IZDQIMVHSYIPIH-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000173875923 373206130 /nfs/dbraw/zinc/20/61/30/373206130.db2.gz IZDQIMVHSYIPIH-AWEZNQCLSA-N 2 2 293.842 3.043 20 0 CGADLP COc1cc(C)[nH+]c(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)c1 ZINC000298062447 373290145 /nfs/dbraw/zinc/29/01/45/373290145.db2.gz GJSXEZFVIPSOMH-VXGBXAGGSA-N 2 2 285.391 3.014 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@@H+]1C ZINC000174516569 373331234 /nfs/dbraw/zinc/33/12/34/373331234.db2.gz FWVBHSNFFQKZLL-WMLDXEAASA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)CC[N@H+]1C ZINC000174516569 373331245 /nfs/dbraw/zinc/33/12/45/373331245.db2.gz FWVBHSNFFQKZLL-WMLDXEAASA-N 2 2 288.435 3.048 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000353614522 220193573 /nfs/dbraw/zinc/19/35/73/220193573.db2.gz XWTCFCWAVVSSMQ-UKMLZYKCSA-N 2 2 281.403 3.049 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000353614522 220193577 /nfs/dbraw/zinc/19/35/77/220193577.db2.gz XWTCFCWAVVSSMQ-UKMLZYKCSA-N 2 2 281.403 3.049 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000174945457 373384894 /nfs/dbraw/zinc/38/48/94/373384894.db2.gz JVHVMGVCJXCVLG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC000174945457 373384903 /nfs/dbraw/zinc/38/49/03/373384903.db2.gz JVHVMGVCJXCVLG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000174945457 373384911 /nfs/dbraw/zinc/38/49/11/373384911.db2.gz JVHVMGVCJXCVLG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000174945457 373384920 /nfs/dbraw/zinc/38/49/20/373384920.db2.gz JVHVMGVCJXCVLG-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1(C)C ZINC000447593332 373462175 /nfs/dbraw/zinc/46/21/75/373462175.db2.gz REOHFXQABKSXHA-BRWVUGGUSA-N 2 2 294.483 3.185 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1(C)C ZINC000447593332 373462183 /nfs/dbraw/zinc/46/21/83/373462183.db2.gz REOHFXQABKSXHA-BRWVUGGUSA-N 2 2 294.483 3.185 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447816511 373498930 /nfs/dbraw/zinc/49/89/30/373498930.db2.gz JMSMGEZTAHCVGK-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+]CCCc1c(F)cccc1Cl ZINC000447816511 373498937 /nfs/dbraw/zinc/49/89/37/373498937.db2.gz JMSMGEZTAHCVGK-LBPRGKRZSA-N 2 2 284.806 3.096 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000299416110 373536723 /nfs/dbraw/zinc/53/67/23/373536723.db2.gz SFAFUCMIMNNVDB-UHFFFAOYSA-N 2 2 288.366 3.270 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447983222 373533878 /nfs/dbraw/zinc/53/38/78/373533878.db2.gz PXWIJTNWUXQBDM-OKDNKWQNSA-N 2 2 272.436 3.411 20 0 CGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000447983222 373533891 /nfs/dbraw/zinc/53/38/91/373533891.db2.gz PXWIJTNWUXQBDM-OKDNKWQNSA-N 2 2 272.436 3.411 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000353640810 220213754 /nfs/dbraw/zinc/21/37/54/220213754.db2.gz IASRKAGZXZEJCR-PBHICJAKSA-N 2 2 285.366 3.147 20 0 CGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000353640810 220213757 /nfs/dbraw/zinc/21/37/57/220213757.db2.gz IASRKAGZXZEJCR-PBHICJAKSA-N 2 2 285.366 3.147 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCCC12CCC2)[NH+]1CCCC1 ZINC000449076345 373659419 /nfs/dbraw/zinc/65/94/19/373659419.db2.gz OXLDWVXEUIREAJ-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[C@@](CNc2cc[nH+]c(C3CC3)n2)([NH+](C)C)C1 ZINC000301224703 373698313 /nfs/dbraw/zinc/69/83/13/373698313.db2.gz CWKSPLDXNXOTET-SUMWQHHRSA-N 2 2 288.439 3.276 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000177717930 373704140 /nfs/dbraw/zinc/70/41/40/373704140.db2.gz VHULFRUNXFFUFQ-KRWDZBQOSA-N 2 2 285.366 3.347 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301239875 373706351 /nfs/dbraw/zinc/70/63/51/373706351.db2.gz LYLSINSNIVQNDM-KBPBESRZSA-N 2 2 288.439 3.134 20 0 CGADLP CCc1cc(NCCn2c(C)[nH+]c3ccccc32)nc(C)[nH+]1 ZINC000301368219 373762307 /nfs/dbraw/zinc/76/23/07/373762307.db2.gz TWZHDSFBRPTWGX-UHFFFAOYSA-N 2 2 295.390 3.118 20 0 CGADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178310394 373764747 /nfs/dbraw/zinc/76/47/47/373764747.db2.gz KIFFKSMWHOKDPY-MRXNPFEDSA-N 2 2 286.419 3.118 20 0 CGADLP c1cc2[nH+]ccc(NCC[NH+]3CCCCC3)c2s1 ZINC000301387073 373768370 /nfs/dbraw/zinc/76/83/70/373768370.db2.gz XOQZKSRSNRXVBA-UHFFFAOYSA-N 2 2 261.394 3.194 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c[nH+]1 ZINC000449513379 373813868 /nfs/dbraw/zinc/81/38/68/373813868.db2.gz SGNKZLFMEQOQTO-ROUUACIJSA-N 2 2 292.467 3.201 20 0 CGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccoc3)CC2)C1 ZINC000178475456 373782670 /nfs/dbraw/zinc/78/26/70/373782670.db2.gz FOWBBPZCUBGKCH-YOEHRIQHSA-N 2 2 276.424 3.412 20 0 CGADLP CCO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000449492417 373783206 /nfs/dbraw/zinc/78/32/06/373783206.db2.gz JCZXAZWKOKZQNC-YJBOKZPZSA-N 2 2 299.418 3.119 20 0 CGADLP CCO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000449492417 373783214 /nfs/dbraw/zinc/78/32/14/373783214.db2.gz JCZXAZWKOKZQNC-YJBOKZPZSA-N 2 2 299.418 3.119 20 0 CGADLP Cc1cccc(N2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000301703154 373798979 /nfs/dbraw/zinc/79/89/79/373798979.db2.gz QWPQXBZCEWHFFM-UHFFFAOYSA-N 2 2 273.424 3.092 20 0 CGADLP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000179595967 373892796 /nfs/dbraw/zinc/89/27/96/373892796.db2.gz JQTAIJDIEOCWTA-AWEZNQCLSA-N 2 2 263.429 3.325 20 0 CGADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc21 ZINC000179661960 373901159 /nfs/dbraw/zinc/90/11/59/373901159.db2.gz DHMIGGYGGXIOHF-QGZVFWFLSA-N 2 2 277.371 3.454 20 0 CGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCc2ccccc21 ZINC000179661960 373901164 /nfs/dbraw/zinc/90/11/64/373901164.db2.gz DHMIGGYGGXIOHF-QGZVFWFLSA-N 2 2 277.371 3.454 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449779948 373909140 /nfs/dbraw/zinc/90/91/40/373909140.db2.gz FFBSGVWTCJFHBU-YCPHGPKFSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449779948 373909152 /nfs/dbraw/zinc/90/91/52/373909152.db2.gz FFBSGVWTCJFHBU-YCPHGPKFSA-N 2 2 250.430 3.029 20 0 CGADLP COc1cccc2c1cc[nH+]c2N1CCC([NH2+]C(C)C)CC1 ZINC000450305429 374050899 /nfs/dbraw/zinc/05/08/99/374050899.db2.gz QINYLRVASQWDIP-UHFFFAOYSA-N 2 2 299.418 3.210 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000289502519 197380026 /nfs/dbraw/zinc/38/00/26/197380026.db2.gz DPLRUMPAZOYSJF-GOSISDBHSA-N 2 2 283.419 3.016 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000289502519 197380028 /nfs/dbraw/zinc/38/00/28/197380028.db2.gz DPLRUMPAZOYSJF-GOSISDBHSA-N 2 2 283.419 3.016 20 0 CGADLP COC1CCC([N@H+](C)C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450404612 374106092 /nfs/dbraw/zinc/10/60/92/374106092.db2.gz CMJAMGBNCXBPNN-AQFXKWCLSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([N@@H+](C)C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450404612 374106098 /nfs/dbraw/zinc/10/60/98/374106098.db2.gz CMJAMGBNCXBPNN-AQFXKWCLSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([NH+](C)C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450404612 374106107 /nfs/dbraw/zinc/10/61/07/374106107.db2.gz CMJAMGBNCXBPNN-AQFXKWCLSA-N 2 2 282.472 3.139 20 0 CGADLP COC1CCC([NH+](C)C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450404612 374106113 /nfs/dbraw/zinc/10/61/13/374106113.db2.gz CMJAMGBNCXBPNN-AQFXKWCLSA-N 2 2 282.472 3.139 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450463963 374146521 /nfs/dbraw/zinc/14/65/21/374146521.db2.gz UPZMIRLQRYPJHU-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450463963 374146528 /nfs/dbraw/zinc/14/65/28/374146528.db2.gz UPZMIRLQRYPJHU-UHFFFAOYSA-N 2 2 288.435 3.144 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309742078 374194941 /nfs/dbraw/zinc/19/49/41/374194941.db2.gz SFHAXJOBARJAPT-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000309742078 374194949 /nfs/dbraw/zinc/19/49/49/374194949.db2.gz SFHAXJOBARJAPT-HUUCEWRRSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](NC[C@H](CC(C)C)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182328245 374259519 /nfs/dbraw/zinc/25/95/19/374259519.db2.gz MTCSJZVFNRJINR-HOTGVXAUSA-N 2 2 294.487 3.217 20 0 CGADLP C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892201 374308534 /nfs/dbraw/zinc/30/85/34/374308534.db2.gz RPRFUAUAJQCMNO-ZWKOTPCHSA-N 2 2 294.483 3.190 20 0 CGADLP C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000313892201 374308535 /nfs/dbraw/zinc/30/85/35/374308535.db2.gz RPRFUAUAJQCMNO-ZWKOTPCHSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145142 374367538 /nfs/dbraw/zinc/36/75/38/374367538.db2.gz RNNFTPGCBCEWDX-LIRRHRJNSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453145142 374367544 /nfs/dbraw/zinc/36/75/44/374367544.db2.gz RNNFTPGCBCEWDX-LIRRHRJNSA-N 2 2 284.447 3.006 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2sccc21 ZINC000453206872 374368888 /nfs/dbraw/zinc/36/88/88/374368888.db2.gz VMOKCEMYTXYORB-BZPMIXESSA-N 2 2 287.432 3.488 20 0 CGADLP C[C@@H]([NH2+]C1CCC(CO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000319578575 374346029 /nfs/dbraw/zinc/34/60/29/374346029.db2.gz JCPYKKGZRKQBPS-HPUBIQBYSA-N 2 2 299.418 3.074 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263165 374379484 /nfs/dbraw/zinc/37/94/84/374379484.db2.gz UCNRGHBIDVOKAP-WOSRLPQWSA-N 2 2 264.388 3.125 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)c(C)c2)C1 ZINC000453263165 374379491 /nfs/dbraw/zinc/37/94/91/374379491.db2.gz UCNRGHBIDVOKAP-WOSRLPQWSA-N 2 2 264.388 3.125 20 0 CGADLP CC1CCC([N@H+](CCCn2cc[nH+]c2)C2CC2)CC1 ZINC000183163647 374379726 /nfs/dbraw/zinc/37/97/26/374379726.db2.gz ZVFIIQUAXJOAAN-UHFFFAOYSA-N 2 2 261.413 3.316 20 0 CGADLP CC1CCC([N@@H+](CCCn2cc[nH+]c2)C2CC2)CC1 ZINC000183163647 374379734 /nfs/dbraw/zinc/37/97/34/374379734.db2.gz ZVFIIQUAXJOAAN-UHFFFAOYSA-N 2 2 261.413 3.316 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433705 541935980 /nfs/dbraw/zinc/93/59/80/541935980.db2.gz ZEWIBQHHEIKYDP-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cnc2ccsc2c1 ZINC000085433705 541935983 /nfs/dbraw/zinc/93/59/83/541935983.db2.gz ZEWIBQHHEIKYDP-AAEUAGOBSA-N 2 2 275.421 3.041 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086907517 541942264 /nfs/dbraw/zinc/94/22/64/541942264.db2.gz KHJPHJOJGKRTJW-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086907517 541942267 /nfs/dbraw/zinc/94/22/67/541942267.db2.gz KHJPHJOJGKRTJW-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090169032 541957764 /nfs/dbraw/zinc/95/77/64/541957764.db2.gz OFNHMKWZHVSWNA-MRXNPFEDSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000090169032 541957766 /nfs/dbraw/zinc/95/77/66/541957766.db2.gz OFNHMKWZHVSWNA-MRXNPFEDSA-N 2 2 258.409 3.039 20 0 CGADLP CC1(C)[C@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000184550591 374537436 /nfs/dbraw/zinc/53/74/36/374537436.db2.gz UZMWEUXXRVRCSB-DLBZAZTESA-N 2 2 272.436 3.254 20 0 CGADLP Cc1ccsc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728326 374554876 /nfs/dbraw/zinc/55/48/76/374554876.db2.gz SJHFVXFJAHQDPY-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1ccsc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184728326 374554881 /nfs/dbraw/zinc/55/48/81/374554881.db2.gz SJHFVXFJAHQDPY-AWEZNQCLSA-N 2 2 289.448 3.245 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000090847353 541964508 /nfs/dbraw/zinc/96/45/08/541964508.db2.gz SIZXQEQHZDVDDG-QGZVFWFLSA-N 2 2 270.351 3.349 20 0 CGADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185192395 374607279 /nfs/dbraw/zinc/60/72/79/374607279.db2.gz ZKXPNFVQRBBTOM-CVEARBPZSA-N 2 2 287.407 3.018 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696587 374847350 /nfs/dbraw/zinc/84/73/50/374847350.db2.gz CZCNZPPSHHGDOF-GDBMZVCRSA-N 2 2 250.430 3.197 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCCC2)C1 ZINC000463696587 374847358 /nfs/dbraw/zinc/84/73/58/374847358.db2.gz CZCNZPPSHHGDOF-GDBMZVCRSA-N 2 2 250.430 3.197 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334558084 374855373 /nfs/dbraw/zinc/85/53/73/374855373.db2.gz DLGHDLTXPHBODY-CYBMUJFWSA-N 2 2 283.366 3.415 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000334558084 374855377 /nfs/dbraw/zinc/85/53/77/374855377.db2.gz DLGHDLTXPHBODY-CYBMUJFWSA-N 2 2 283.366 3.415 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@]3(CCSC3)C2)[nH+]1 ZINC000334623243 374915918 /nfs/dbraw/zinc/91/59/18/374915918.db2.gz RRRUZDUQNDWWHY-INIZCTEOSA-N 2 2 287.432 3.053 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@]3(CCSC3)C2)[nH+]1 ZINC000334623243 374915925 /nfs/dbraw/zinc/91/59/25/374915925.db2.gz RRRUZDUQNDWWHY-INIZCTEOSA-N 2 2 287.432 3.053 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474623350 375121216 /nfs/dbraw/zinc/12/12/16/375121216.db2.gz OZALHPZPYVKTSZ-CHWSQXEVSA-N 2 2 268.832 3.373 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000474623350 375121222 /nfs/dbraw/zinc/12/12/22/375121222.db2.gz OZALHPZPYVKTSZ-CHWSQXEVSA-N 2 2 268.832 3.373 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407085 375308336 /nfs/dbraw/zinc/30/83/36/375308336.db2.gz BNTQGIAACVQTNF-JKSUJKDBSA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]1C[C@@H]1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000488407085 375308342 /nfs/dbraw/zinc/30/83/42/375308342.db2.gz BNTQGIAACVQTNF-JKSUJKDBSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000488442390 375309694 /nfs/dbraw/zinc/30/96/94/375309694.db2.gz MLFNPGNROZNXPP-FOIPXRHGSA-N 2 2 272.436 3.456 20 0 CGADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000488442390 375309699 /nfs/dbraw/zinc/30/96/99/375309699.db2.gz MLFNPGNROZNXPP-FOIPXRHGSA-N 2 2 272.436 3.456 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000491582199 375333770 /nfs/dbraw/zinc/33/37/70/375333770.db2.gz VFWHGJDDQKCBFH-MELADBBJSA-N 2 2 274.399 3.132 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000491582199 375333777 /nfs/dbraw/zinc/33/37/77/375333777.db2.gz VFWHGJDDQKCBFH-MELADBBJSA-N 2 2 274.399 3.132 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000190807800 375541022 /nfs/dbraw/zinc/54/10/22/375541022.db2.gz CQPPWIVIUITQMF-UHFFFAOYSA-N 2 2 283.297 3.000 20 0 CGADLP C[N@@H+]1CCCC12CCN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000335952936 375566608 /nfs/dbraw/zinc/56/66/08/375566608.db2.gz MJMAUKGOJZTMKW-UHFFFAOYSA-N 2 2 299.340 3.165 20 0 CGADLP C[N@H+]1CCCC12CCN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000335952936 375566612 /nfs/dbraw/zinc/56/66/12/375566612.db2.gz MJMAUKGOJZTMKW-UHFFFAOYSA-N 2 2 299.340 3.165 20 0 CGADLP c1cncc(-c2cccc(C[N@@H+]3CC[NH+]4CCC3CC4)c2)c1 ZINC000335997432 375603135 /nfs/dbraw/zinc/60/31/35/375603135.db2.gz BKIHUVXUBNTXPW-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP c1cncc(-c2cccc(C[N@H+]3CC[NH+]4CCC3CC4)c2)c1 ZINC000335997432 375603140 /nfs/dbraw/zinc/60/31/40/375603140.db2.gz BKIHUVXUBNTXPW-UHFFFAOYSA-N 2 2 293.414 3.029 20 0 CGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C3CC3)n2)CC1 ZINC000336069857 375661931 /nfs/dbraw/zinc/66/19/31/375661931.db2.gz XCFIEIZFNCSKGG-UHFFFAOYSA-N 2 2 291.464 3.081 20 0 CGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C3CC3)n2)CC1 ZINC000336069857 375661936 /nfs/dbraw/zinc/66/19/36/375661936.db2.gz XCFIEIZFNCSKGG-UHFFFAOYSA-N 2 2 291.464 3.081 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CCC1 ZINC000192043176 375692321 /nfs/dbraw/zinc/69/23/21/375692321.db2.gz OCGIDQSFSNWUAR-UHFFFAOYSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CCC1 ZINC000192043176 375692325 /nfs/dbraw/zinc/69/23/25/375692325.db2.gz OCGIDQSFSNWUAR-UHFFFAOYSA-N 2 2 255.365 3.165 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000336101301 375687002 /nfs/dbraw/zinc/68/70/02/375687002.db2.gz ZIWGNUKQEAYQBU-GOEBONIOSA-N 2 2 269.392 3.166 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192286597 375724223 /nfs/dbraw/zinc/72/42/23/375724223.db2.gz AHZWPHKAOVJEDW-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192286597 375724227 /nfs/dbraw/zinc/72/42/27/375724227.db2.gz AHZWPHKAOVJEDW-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000336179793 375753140 /nfs/dbraw/zinc/75/31/40/375753140.db2.gz RQDWUUTVFPCCRA-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000336179793 375753145 /nfs/dbraw/zinc/75/31/45/375753145.db2.gz RQDWUUTVFPCCRA-CQSZACIVSA-N 2 2 289.810 3.371 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000192566354 375765965 /nfs/dbraw/zinc/76/59/65/375765965.db2.gz IGZMGKUDHMYBDN-VYDXJSESSA-N 2 2 290.451 3.130 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@@H+]1C ZINC000336600960 375863594 /nfs/dbraw/zinc/86/35/94/375863594.db2.gz UTDJGYKOKZRUKZ-RISCZKNCSA-N 2 2 273.355 3.269 20 0 CGADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CC[N@H+]1C ZINC000336600960 375863600 /nfs/dbraw/zinc/86/36/00/375863600.db2.gz UTDJGYKOKZRUKZ-RISCZKNCSA-N 2 2 273.355 3.269 20 0 CGADLP CCCc1csc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)n1 ZINC000494843535 535449610 /nfs/dbraw/zinc/44/96/10/535449610.db2.gz CEKONYFXECLJFK-AWEZNQCLSA-N 2 2 295.496 3.450 20 0 CGADLP Cc1cc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655363 375895240 /nfs/dbraw/zinc/89/52/40/375895240.db2.gz JLZBYRHNYQBJCO-DOTOQJQBSA-N 2 2 296.418 3.108 20 0 CGADLP Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000336655363 375895245 /nfs/dbraw/zinc/89/52/45/375895245.db2.gz JLZBYRHNYQBJCO-DOTOQJQBSA-N 2 2 296.418 3.108 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000336710957 375913685 /nfs/dbraw/zinc/91/36/85/375913685.db2.gz LCFCCUBVVASUHF-QGZVFWFLSA-N 2 2 296.418 3.034 20 0 CGADLP CCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000336710957 375913688 /nfs/dbraw/zinc/91/36/88/375913688.db2.gz LCFCCUBVVASUHF-QGZVFWFLSA-N 2 2 296.418 3.034 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194482094 376008397 /nfs/dbraw/zinc/00/83/97/376008397.db2.gz XNKJFVUZGYZVEN-PBHICJAKSA-N 2 2 283.375 3.216 20 0 CGADLP c1ccc2ncc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2c1 ZINC000337129691 376088990 /nfs/dbraw/zinc/08/89/90/376088990.db2.gz IOYKUPHKRWINCZ-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336531972 296239626 /nfs/dbraw/zinc/23/96/26/296239626.db2.gz PXYMKVJVPRMWAS-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP C[C@@H](c1ccccc1F)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336531972 296239627 /nfs/dbraw/zinc/23/96/27/296239627.db2.gz PXYMKVJVPRMWAS-AWEZNQCLSA-N 2 2 276.399 3.447 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000337249572 376163609 /nfs/dbraw/zinc/16/36/09/376163609.db2.gz JLUNWTSQYLZYAW-RYRKJORJSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000337249572 376163614 /nfs/dbraw/zinc/16/36/14/376163614.db2.gz JLUNWTSQYLZYAW-RYRKJORJSA-N 2 2 290.451 3.053 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)COC(C)C)[NH+](C)C ZINC000337258828 376170680 /nfs/dbraw/zinc/17/06/80/376170680.db2.gz OSEVMFYWNKQBEF-JZXOWHBKSA-N 2 2 292.467 3.389 20 0 CGADLP CCC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000337331965 376212368 /nfs/dbraw/zinc/21/23/68/376212368.db2.gz IXLQLEWSWOKZNU-HNNXBMFYSA-N 2 2 290.455 3.219 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000221157820 376212494 /nfs/dbraw/zinc/21/24/94/376212494.db2.gz AIVNCQUEJCWCMW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000221157820 376212504 /nfs/dbraw/zinc/21/25/04/376212504.db2.gz AIVNCQUEJCWCMW-QGZVFWFLSA-N 2 2 254.377 3.024 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000538060346 376219922 /nfs/dbraw/zinc/21/99/22/376219922.db2.gz KOYWGDXVEVHFLY-AEFFLSMTSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000538060346 376219930 /nfs/dbraw/zinc/21/99/30/376219930.db2.gz KOYWGDXVEVHFLY-AEFFLSMTSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554451 376247582 /nfs/dbraw/zinc/24/75/82/376247582.db2.gz TUZOKYAULDBNBI-LRDDRELGSA-N 2 2 290.838 3.401 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000538554451 376247587 /nfs/dbraw/zinc/24/75/87/376247587.db2.gz TUZOKYAULDBNBI-LRDDRELGSA-N 2 2 290.838 3.401 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cc(C)ccc2C1 ZINC000338362822 376351791 /nfs/dbraw/zinc/35/17/91/376351791.db2.gz ODBZJPAOJKOIPD-UHFFFAOYSA-N 2 2 260.425 3.085 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cc(C)ccc2C1 ZINC000338362822 376351800 /nfs/dbraw/zinc/35/18/00/376351800.db2.gz ODBZJPAOJKOIPD-UHFFFAOYSA-N 2 2 260.425 3.085 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1(C)C ZINC000539494238 376314288 /nfs/dbraw/zinc/31/42/88/376314288.db2.gz CDJSKRORKSVRLS-FVQBIDKESA-N 2 2 282.472 3.043 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1(C)C ZINC000539494238 376314290 /nfs/dbraw/zinc/31/42/90/376314290.db2.gz CDJSKRORKSVRLS-FVQBIDKESA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539653907 376324690 /nfs/dbraw/zinc/32/46/90/376324690.db2.gz DEYFODFJEMKWCP-RHSMWYFYSA-N 2 2 270.420 3.182 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539653907 376324700 /nfs/dbraw/zinc/32/47/00/376324700.db2.gz DEYFODFJEMKWCP-RHSMWYFYSA-N 2 2 270.420 3.182 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000226012431 376337707 /nfs/dbraw/zinc/33/77/07/376337707.db2.gz YUCMYHBZBLKITL-SUMWQHHRSA-N 2 2 283.419 3.229 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000226012431 376337710 /nfs/dbraw/zinc/33/77/10/376337710.db2.gz YUCMYHBZBLKITL-SUMWQHHRSA-N 2 2 283.419 3.229 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CCC[NH+](CC)CC ZINC000338231970 376292068 /nfs/dbraw/zinc/29/20/68/376292068.db2.gz AVLJUYXUKXCBPB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CCC[NH+](CC)CC ZINC000338231970 376292073 /nfs/dbraw/zinc/29/20/73/376292073.db2.gz AVLJUYXUKXCBPB-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000539087501 376293120 /nfs/dbraw/zinc/29/31/20/376293120.db2.gz VAZYPRHAZCDSBG-MAZHCROVSA-N 2 2 280.843 3.201 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000539087501 376293125 /nfs/dbraw/zinc/29/31/25/376293125.db2.gz VAZYPRHAZCDSBG-MAZHCROVSA-N 2 2 280.843 3.201 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000539218266 376299082 /nfs/dbraw/zinc/29/90/82/376299082.db2.gz QLUNZTUCHKUBOB-KGLIPLIRSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000539218266 376299087 /nfs/dbraw/zinc/29/90/87/376299087.db2.gz QLUNZTUCHKUBOB-KGLIPLIRSA-N 2 2 280.843 3.202 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604433 376366429 /nfs/dbraw/zinc/36/64/29/376366429.db2.gz IYHISARURGGOSY-ZENOOKHLSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604433 376366432 /nfs/dbraw/zinc/36/64/32/376366432.db2.gz IYHISARURGGOSY-ZENOOKHLSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@H]1CC(CC[NH2+]Cc2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000338478376 376389815 /nfs/dbraw/zinc/38/98/15/376389815.db2.gz WGFNZUSGBDIARC-KBPBESRZSA-N 2 2 287.407 3.018 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780518 376395493 /nfs/dbraw/zinc/39/54/93/376395493.db2.gz GBKFZGXULUGMMH-TZMCWYRMSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000540780518 376395500 /nfs/dbraw/zinc/39/55/00/376395500.db2.gz GBKFZGXULUGMMH-TZMCWYRMSA-N 2 2 252.446 3.131 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000541747853 376479185 /nfs/dbraw/zinc/47/91/85/376479185.db2.gz BSUFYMLMDOHLHA-MRXNPFEDSA-N 2 2 292.471 3.115 20 0 CGADLP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccn(C)n1 ZINC000541747853 376479186 /nfs/dbraw/zinc/47/91/86/376479186.db2.gz BSUFYMLMDOHLHA-MRXNPFEDSA-N 2 2 292.471 3.115 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000232713112 376587933 /nfs/dbraw/zinc/58/79/33/376587933.db2.gz XKZLQIRZXPOAND-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000232713112 376587941 /nfs/dbraw/zinc/58/79/41/376587941.db2.gz XKZLQIRZXPOAND-DLBZAZTESA-N 2 2 260.425 3.110 20 0 CGADLP C[N@@H+](Cc1cccc(F)c1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000339005644 376624497 /nfs/dbraw/zinc/62/44/97/376624497.db2.gz WOWCFNZHMXYPKT-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[N@H+](Cc1cccc(F)c1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000339005644 376624506 /nfs/dbraw/zinc/62/45/06/376624506.db2.gz WOWCFNZHMXYPKT-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(F)c1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000339005644 376624514 /nfs/dbraw/zinc/62/45/14/376624514.db2.gz WOWCFNZHMXYPKT-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP C[NH+](Cc1cccc(F)c1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000339005644 376624522 /nfs/dbraw/zinc/62/45/22/376624522.db2.gz WOWCFNZHMXYPKT-LBPRGKRZSA-N 2 2 284.806 3.253 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[C@@H]1C ZINC000543393781 376635216 /nfs/dbraw/zinc/63/52/16/376635216.db2.gz LBWNXBFCIDEJFD-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[C@@H]1C ZINC000543393781 376635225 /nfs/dbraw/zinc/63/52/25/376635225.db2.gz LBWNXBFCIDEJFD-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[C@@H]1C ZINC000543393781 376635234 /nfs/dbraw/zinc/63/52/34/376635234.db2.gz LBWNXBFCIDEJFD-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC[C@@H]1C ZINC000543393781 376635240 /nfs/dbraw/zinc/63/52/40/376635240.db2.gz LBWNXBFCIDEJFD-HZMVEIRTSA-N 2 2 264.457 3.371 20 0 CGADLP Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2C[NH3+])c1Br ZINC000235945831 376655650 /nfs/dbraw/zinc/65/56/50/376655650.db2.gz CSTMSBXAAGHWNO-MNOVXSKESA-N 2 2 298.228 3.082 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000543994798 376693512 /nfs/dbraw/zinc/69/35/12/376693512.db2.gz ZGXVKNMQNQDYTI-OOHWJJMZSA-N 2 2 272.436 3.172 20 0 CGADLP Cc1ccccc1C1CC([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000543994798 376693524 /nfs/dbraw/zinc/69/35/24/376693524.db2.gz ZGXVKNMQNQDYTI-OOHWJJMZSA-N 2 2 272.436 3.172 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245553031 376851511 /nfs/dbraw/zinc/85/15/11/376851511.db2.gz QXOOTKWGLMXJPY-IJEWVQPXSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245553031 376851516 /nfs/dbraw/zinc/85/15/16/376851516.db2.gz QXOOTKWGLMXJPY-IJEWVQPXSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245553031 376851522 /nfs/dbraw/zinc/85/15/22/376851522.db2.gz QXOOTKWGLMXJPY-IJEWVQPXSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245553031 376851528 /nfs/dbraw/zinc/85/15/28/376851528.db2.gz QXOOTKWGLMXJPY-IJEWVQPXSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000245653389 376873985 /nfs/dbraw/zinc/87/39/85/376873985.db2.gz ICWRFGODYKROGR-IIAWOOMASA-N 2 2 269.392 3.487 20 0 CGADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000245653389 376873991 /nfs/dbraw/zinc/87/39/91/376873991.db2.gz ICWRFGODYKROGR-IIAWOOMASA-N 2 2 269.392 3.487 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000556873948 376895407 /nfs/dbraw/zinc/89/54/07/376895407.db2.gz YKQJPDDHHFAZEW-OLZOCXBDSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000556873948 376895417 /nfs/dbraw/zinc/89/54/17/376895417.db2.gz YKQJPDDHHFAZEW-OLZOCXBDSA-N 2 2 296.405 3.358 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767563 377085862 /nfs/dbraw/zinc/08/58/62/377085862.db2.gz PUCOMFSYMYRRSU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767563 377085871 /nfs/dbraw/zinc/08/58/71/377085871.db2.gz PUCOMFSYMYRRSU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767563 377085880 /nfs/dbraw/zinc/08/58/80/377085880.db2.gz PUCOMFSYMYRRSU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)CC[C@H]21 ZINC000246767563 377085886 /nfs/dbraw/zinc/08/58/86/377085886.db2.gz PUCOMFSYMYRRSU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@@H+]1C1CC1 ZINC000559863259 377101343 /nfs/dbraw/zinc/10/13/43/377101343.db2.gz POKYWQYDOXMNOA-WNOSKKOXSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C[N@H+]1C1CC1 ZINC000559863259 377101345 /nfs/dbraw/zinc/10/13/45/377101345.db2.gz POKYWQYDOXMNOA-WNOSKKOXSA-N 2 2 288.410 3.287 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247117901 377162687 /nfs/dbraw/zinc/16/26/87/377162687.db2.gz MGEGEIPHKXIWRS-HOTGVXAUSA-N 2 2 283.419 3.436 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247117901 377162694 /nfs/dbraw/zinc/16/26/94/377162694.db2.gz MGEGEIPHKXIWRS-HOTGVXAUSA-N 2 2 283.419 3.436 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000562042154 377268886 /nfs/dbraw/zinc/26/88/86/377268886.db2.gz VELYROQWOGIMRY-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000562042154 377268891 /nfs/dbraw/zinc/26/88/91/377268891.db2.gz VELYROQWOGIMRY-KFWWJZLASA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248625895 377369246 /nfs/dbraw/zinc/36/92/46/377369246.db2.gz FSKPKUYFWBYOFY-IXDOHACOSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248625895 377369255 /nfs/dbraw/zinc/36/92/55/377369255.db2.gz FSKPKUYFWBYOFY-IXDOHACOSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccncc1 ZINC000248627767 377369999 /nfs/dbraw/zinc/36/99/99/377369999.db2.gz FNNSULSJBRZRJG-RLFYNMQTSA-N 2 2 283.419 3.424 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248640959 377373540 /nfs/dbraw/zinc/37/35/40/377373540.db2.gz NZRBQIFKCQHLDT-CKEIUWERSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000248684278 377381113 /nfs/dbraw/zinc/38/11/13/377381113.db2.gz FUJFCHMUZWPPCJ-IPYPFGDCSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1C(C)C ZINC000248684278 377381124 /nfs/dbraw/zinc/38/11/24/377381124.db2.gz FUJFCHMUZWPPCJ-IPYPFGDCSA-N 2 2 290.455 3.048 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000248575737 377355152 /nfs/dbraw/zinc/35/51/52/377355152.db2.gz TURUVVUNCPGWQM-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)n1 ZINC000248575737 377355163 /nfs/dbraw/zinc/35/51/63/377355163.db2.gz TURUVVUNCPGWQM-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)n1 ZINC000248575737 377355174 /nfs/dbraw/zinc/35/51/74/377355174.db2.gz TURUVVUNCPGWQM-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)n1 ZINC000248575737 377355184 /nfs/dbraw/zinc/35/51/84/377355184.db2.gz TURUVVUNCPGWQM-PKOBYXMFSA-N 2 2 299.462 3.147 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313257216 249089568 /nfs/dbraw/zinc/08/95/68/249089568.db2.gz VEZMQKQHMVRKHG-CYBMUJFWSA-N 2 2 283.375 3.368 20 0 CGADLP Cc1ccc([C@H]([NH2+]CCc2cn(C)c[nH+]2)C2CC2)cc1 ZINC000313272201 249089757 /nfs/dbraw/zinc/08/97/57/249089757.db2.gz PXICEHWRSVTCEC-KRWDZBQOSA-N 2 2 269.392 3.012 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313252977 249089761 /nfs/dbraw/zinc/08/97/61/249089761.db2.gz MIJNNXBRCAIQCE-OAHLLOKOSA-N 2 2 285.435 3.309 20 0 CGADLP c1cn(-c2ccc(C[NH2+]CCOCC3CCCC3)cc2)c[nH+]1 ZINC000313265214 249090235 /nfs/dbraw/zinc/09/02/35/249090235.db2.gz GVSCZQUVMFHWGG-UHFFFAOYSA-N 2 2 299.418 3.169 20 0 CGADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc2c(s1)CCCC2 ZINC000313254335 249090286 /nfs/dbraw/zinc/09/02/86/249090286.db2.gz SBMJDMCGFNWWNQ-GFCCVEGCSA-N 2 2 289.448 3.254 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000250061093 377548092 /nfs/dbraw/zinc/54/80/92/377548092.db2.gz NACVBHUPVZWDNT-LIRZEXBASA-N 2 2 297.402 3.090 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Oc2ccccc2)cn1 ZINC000516861443 249246097 /nfs/dbraw/zinc/24/60/97/249246097.db2.gz IVEQNWDKJYKRMT-CQSZACIVSA-N 2 2 297.402 3.406 20 0 CGADLP Cc1cc(F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000518185491 249276840 /nfs/dbraw/zinc/27/68/40/249276840.db2.gz OTBGPAJFQQCMJI-INIZCTEOSA-N 2 2 296.817 3.363 20 0 CGADLP Cc1cc(F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000518185491 249276841 /nfs/dbraw/zinc/27/68/41/249276841.db2.gz OTBGPAJFQQCMJI-INIZCTEOSA-N 2 2 296.817 3.363 20 0 CGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000179957553 542204550 /nfs/dbraw/zinc/20/45/50/542204550.db2.gz LYBKQKCQMIMXFM-AWEZNQCLSA-N 2 2 298.434 3.033 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251705638 377596187 /nfs/dbraw/zinc/59/61/87/377596187.db2.gz PBKZGNOYKTYTLZ-CFVMTHIKSA-N 2 2 292.398 3.112 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251705638 377596192 /nfs/dbraw/zinc/59/61/92/377596192.db2.gz PBKZGNOYKTYTLZ-CFVMTHIKSA-N 2 2 292.398 3.112 20 0 CGADLP CC[C@H]1C[N@H+](CCNc2[nH+]ccc3ccc(C)cc32)CCO1 ZINC000573958365 377597480 /nfs/dbraw/zinc/59/74/80/377597480.db2.gz GMZMYDRJQBWKPF-INIZCTEOSA-N 2 2 299.418 3.066 20 0 CGADLP CC[C@H]1C[N@@H+](CCNc2[nH+]ccc3ccc(C)cc32)CCO1 ZINC000573958365 377597484 /nfs/dbraw/zinc/59/74/84/377597484.db2.gz GMZMYDRJQBWKPF-INIZCTEOSA-N 2 2 299.418 3.066 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000573981546 377602228 /nfs/dbraw/zinc/60/22/28/377602228.db2.gz JWDZZCVKPKEDAF-BZUAXINKSA-N 2 2 252.446 3.133 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000573981546 377602236 /nfs/dbraw/zinc/60/22/36/377602236.db2.gz JWDZZCVKPKEDAF-BZUAXINKSA-N 2 2 252.446 3.133 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000342625275 377697086 /nfs/dbraw/zinc/69/70/86/377697086.db2.gz LPMABFPWLKYUKD-MRXNPFEDSA-N 2 2 283.419 3.252 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000342630494 377698322 /nfs/dbraw/zinc/69/83/22/377698322.db2.gz VCMYYYDBKIHSHX-WIHSUSGWSA-N 2 2 258.409 3.039 20 0 CGADLP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000342630494 377698328 /nfs/dbraw/zinc/69/83/28/377698328.db2.gz VCMYYYDBKIHSHX-WIHSUSGWSA-N 2 2 258.409 3.039 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000253189172 377680131 /nfs/dbraw/zinc/68/01/31/377680131.db2.gz KEDHPFTYMPWDKN-XGUBFFRZSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000253189172 377680139 /nfs/dbraw/zinc/68/01/39/377680139.db2.gz KEDHPFTYMPWDKN-XGUBFFRZSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000575028081 377739489 /nfs/dbraw/zinc/73/94/89/377739489.db2.gz RERVSMQEZNSASP-GOSISDBHSA-N 2 2 298.434 3.283 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000575028081 377739499 /nfs/dbraw/zinc/73/94/99/377739499.db2.gz RERVSMQEZNSASP-GOSISDBHSA-N 2 2 298.434 3.283 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342742301 377769467 /nfs/dbraw/zinc/76/94/67/377769467.db2.gz XDLVQVAFVJDSAB-OAHLLOKOSA-N 2 2 273.355 3.290 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)[nH]1 ZINC000342752479 377772493 /nfs/dbraw/zinc/77/24/93/377772493.db2.gz OQWCCMJGEBPJPB-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)[nH]1 ZINC000342752479 377772501 /nfs/dbraw/zinc/77/25/01/377772501.db2.gz OQWCCMJGEBPJPB-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP Clc1cccc(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261559191 377816112 /nfs/dbraw/zinc/81/61/12/377816112.db2.gz DOZZYJMIJVDBNM-WDEREUQCSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261559191 377816115 /nfs/dbraw/zinc/81/61/15/377816115.db2.gz DOZZYJMIJVDBNM-WDEREUQCSA-N 2 2 285.218 3.035 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261574010 377821652 /nfs/dbraw/zinc/82/16/52/377821652.db2.gz AYEMTBAMNZBXOE-IXPVHAAZSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261574010 377821660 /nfs/dbraw/zinc/82/16/60/377821660.db2.gz AYEMTBAMNZBXOE-IXPVHAAZSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1[NH3+] ZINC000262044732 377881896 /nfs/dbraw/zinc/88/18/96/377881896.db2.gz PPSZEEUCQOLNDR-BLLLJJGKSA-N 2 2 272.417 3.194 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)C[C@H]1[NH3+] ZINC000262044732 377881902 /nfs/dbraw/zinc/88/19/02/377881902.db2.gz PPSZEEUCQOLNDR-BLLLJJGKSA-N 2 2 272.417 3.194 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000262099597 377885745 /nfs/dbraw/zinc/88/57/45/377885745.db2.gz ISJDRGUVJKUGRI-MSOLQXFVSA-N 2 2 296.414 3.175 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000262099597 377885748 /nfs/dbraw/zinc/88/57/48/377885748.db2.gz ISJDRGUVJKUGRI-MSOLQXFVSA-N 2 2 296.414 3.175 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)C[C@H]1[NH3+] ZINC000262141165 377888284 /nfs/dbraw/zinc/88/82/84/377888284.db2.gz ZDFNMGFWOODYNJ-CRAIPNDOSA-N 2 2 296.414 3.045 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)C[C@H]1[NH3+] ZINC000262141165 377888296 /nfs/dbraw/zinc/88/82/96/377888296.db2.gz ZDFNMGFWOODYNJ-CRAIPNDOSA-N 2 2 296.414 3.045 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000261780238 377853840 /nfs/dbraw/zinc/85/38/40/377853840.db2.gz FHGLNZBSUCBTRK-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)c1cccc(Cl)c1 ZINC000261780238 377853846 /nfs/dbraw/zinc/85/38/46/377853846.db2.gz FHGLNZBSUCBTRK-SWLSCSKDSA-N 2 2 266.816 3.127 20 0 CGADLP CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261798063 377855891 /nfs/dbraw/zinc/85/58/91/377855891.db2.gz VPCVAQCUMMLQOL-RBUKOAKNSA-N 2 2 296.414 3.012 20 0 CGADLP CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261798063 377855895 /nfs/dbraw/zinc/85/58/95/377855895.db2.gz VPCVAQCUMMLQOL-RBUKOAKNSA-N 2 2 296.414 3.012 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000343471371 377990760 /nfs/dbraw/zinc/99/07/60/377990760.db2.gz YTEMCAFJHYPYHB-TYNCELHUSA-N 2 2 264.438 3.009 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000343471371 377990764 /nfs/dbraw/zinc/99/07/64/377990764.db2.gz YTEMCAFJHYPYHB-TYNCELHUSA-N 2 2 264.438 3.009 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000343605282 378036301 /nfs/dbraw/zinc/03/63/01/378036301.db2.gz OKVFPDFHUHCJKF-KRWDZBQOSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000343605282 378036305 /nfs/dbraw/zinc/03/63/05/378036305.db2.gz OKVFPDFHUHCJKF-KRWDZBQOSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000343605282 378036308 /nfs/dbraw/zinc/03/63/08/378036308.db2.gz OKVFPDFHUHCJKF-KRWDZBQOSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000343605282 378036313 /nfs/dbraw/zinc/03/63/13/378036313.db2.gz OKVFPDFHUHCJKF-KRWDZBQOSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000578079927 378036681 /nfs/dbraw/zinc/03/66/81/378036681.db2.gz HCYWSIQGVBKFHC-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000578079927 378036690 /nfs/dbraw/zinc/03/66/90/378036690.db2.gz HCYWSIQGVBKFHC-QGZVFWFLSA-N 2 2 283.419 3.151 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000343605284 378037248 /nfs/dbraw/zinc/03/72/48/378037248.db2.gz OKVFPDFHUHCJKF-QGZVFWFLSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000343605284 378037252 /nfs/dbraw/zinc/03/72/52/378037252.db2.gz OKVFPDFHUHCJKF-QGZVFWFLSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000343605284 378037258 /nfs/dbraw/zinc/03/72/58/378037258.db2.gz OKVFPDFHUHCJKF-QGZVFWFLSA-N 2 2 292.471 3.079 20 0 CGADLP Cc1nn(C(C)C)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000343605284 378037262 /nfs/dbraw/zinc/03/72/62/378037262.db2.gz OKVFPDFHUHCJKF-QGZVFWFLSA-N 2 2 292.471 3.079 20 0 CGADLP CC(C)CCn1cccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343612808 378039993 /nfs/dbraw/zinc/03/99/93/378039993.db2.gz HTHLYEAJQHWRLY-UHFFFAOYSA-N 2 2 291.483 3.452 20 0 CGADLP CC(C)CCn1cccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343612808 378039998 /nfs/dbraw/zinc/03/99/98/378039998.db2.gz HTHLYEAJQHWRLY-UHFFFAOYSA-N 2 2 291.483 3.452 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H](CO)CC2CCCC2)c[nH+]1 ZINC000343659732 378056385 /nfs/dbraw/zinc/05/63/85/378056385.db2.gz NXYVIFZSYSAKRZ-SFHVURJKSA-N 2 2 290.451 3.101 20 0 CGADLP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cc(F)ccc1F ZINC000345169464 378212442 /nfs/dbraw/zinc/21/24/42/378212442.db2.gz AHRSDDWGLUOHKE-ABAIWWIYSA-N 2 2 270.367 3.346 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@@H](O)CC)c1ccc(Cl)cc1 ZINC000579584157 378174007 /nfs/dbraw/zinc/17/40/07/378174007.db2.gz HCNKEGFSLCGAJJ-JKSUJKDBSA-N 2 2 298.858 3.083 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@@H](O)CC)c1ccc(Cl)cc1 ZINC000579584157 378174011 /nfs/dbraw/zinc/17/40/11/378174011.db2.gz HCNKEGFSLCGAJJ-JKSUJKDBSA-N 2 2 298.858 3.083 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000344537615 378174787 /nfs/dbraw/zinc/17/47/87/378174787.db2.gz VVTOCZVAZIINEC-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP c1cc2[nH+]ccc(N[C@H]3CCN(c4cccc[nH+]4)C3)c2s1 ZINC000269856817 378273581 /nfs/dbraw/zinc/27/35/81/378273581.db2.gz HLDCVRGUMABJNI-LBPRGKRZSA-N 2 2 296.399 3.382 20 0 CGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000269867476 378275702 /nfs/dbraw/zinc/27/57/02/378275702.db2.gz LJMBBIDWQRMXKB-MRXNPFEDSA-N 2 2 292.373 3.169 20 0 CGADLP CC1(C)CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000582073550 378284432 /nfs/dbraw/zinc/28/44/32/378284432.db2.gz HRJHALRQFFDLMH-UHFFFAOYSA-N 2 2 278.362 3.181 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000269985985 378290989 /nfs/dbraw/zinc/29/09/89/378290989.db2.gz SFIJBCQWKVWEMV-WBVHZDCISA-N 2 2 297.402 3.058 20 0 CGADLP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)noc1-c1ccccc1 ZINC000269985985 378290996 /nfs/dbraw/zinc/29/09/96/378290996.db2.gz SFIJBCQWKVWEMV-WBVHZDCISA-N 2 2 297.402 3.058 20 0 CGADLP CC[C@H](O)C[NH2+]C[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000583317258 378321056 /nfs/dbraw/zinc/32/10/56/378321056.db2.gz BEERGNCVDZNIBU-SZMVWBNQSA-N 2 2 292.467 3.112 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000583570610 378332874 /nfs/dbraw/zinc/33/28/74/378332874.db2.gz AJYTVOVJYFKUFT-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000583570610 378332879 /nfs/dbraw/zinc/33/28/79/378332879.db2.gz AJYTVOVJYFKUFT-LSDHHAIUSA-N 2 2 252.446 3.371 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000270893457 378410262 /nfs/dbraw/zinc/41/02/62/378410262.db2.gz POSGWKHGJNPOCX-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000270893457 378410268 /nfs/dbraw/zinc/41/02/68/378410268.db2.gz POSGWKHGJNPOCX-CXAGYDPISA-N 2 2 287.382 3.414 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270544262 378367608 /nfs/dbraw/zinc/36/76/08/378367608.db2.gz YFYYQBCAUNNJLX-SECBINFHSA-N 2 2 299.205 3.123 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000270675458 378385891 /nfs/dbraw/zinc/38/58/91/378385891.db2.gz SNRSVIRSHWQONJ-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000270675458 378385893 /nfs/dbraw/zinc/38/58/93/378385893.db2.gz SNRSVIRSHWQONJ-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000270678579 378387406 /nfs/dbraw/zinc/38/74/06/378387406.db2.gz UBNNTLQLOCSLBS-BBRMVZONSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000270678579 378387409 /nfs/dbraw/zinc/38/74/09/378387409.db2.gz UBNNTLQLOCSLBS-BBRMVZONSA-N 2 2 287.382 3.209 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000270688144 378388862 /nfs/dbraw/zinc/38/88/62/378388862.db2.gz WQNFBIKVEZBCCY-UHFFFAOYSA-N 2 2 295.386 3.487 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000270688144 378388865 /nfs/dbraw/zinc/38/88/65/378388865.db2.gz WQNFBIKVEZBCCY-UHFFFAOYSA-N 2 2 295.386 3.487 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000584509048 378389378 /nfs/dbraw/zinc/38/93/78/378389378.db2.gz FFIHJENUZRSSLH-CYBMUJFWSA-N 2 2 298.833 3.343 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000584509048 378389380 /nfs/dbraw/zinc/38/93/80/378389380.db2.gz FFIHJENUZRSSLH-CYBMUJFWSA-N 2 2 298.833 3.343 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000346087175 378460872 /nfs/dbraw/zinc/46/08/72/378460872.db2.gz IEXNGDDBYBWCTG-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000346087175 378460874 /nfs/dbraw/zinc/46/08/74/378460874.db2.gz IEXNGDDBYBWCTG-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP CC(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346309311 378539875 /nfs/dbraw/zinc/53/98/75/378539875.db2.gz LCVRGLZJMXKVDF-UHFFFAOYSA-N 2 2 257.381 3.041 20 0 CGADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346309311 378539884 /nfs/dbraw/zinc/53/98/84/378539884.db2.gz LCVRGLZJMXKVDF-UHFFFAOYSA-N 2 2 257.381 3.041 20 0 CGADLP C[N@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000346445349 378581106 /nfs/dbraw/zinc/58/11/06/378581106.db2.gz QAQWWTVUOZNJDG-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)Cc1ccccc1 ZINC000346445349 378581111 /nfs/dbraw/zinc/58/11/11/378581111.db2.gz QAQWWTVUOZNJDG-MRXNPFEDSA-N 2 2 260.425 3.287 20 0 CGADLP [NH3+]C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000346632657 378654985 /nfs/dbraw/zinc/65/49/85/378654985.db2.gz DKDAXGKNXOHGQD-UHFFFAOYSA-N 2 2 290.407 3.477 20 0 CGADLP C[N@H+](Cc1nc(-c2ccccc2)cs1)CC(C)(C)C[NH3+] ZINC000346677641 378672803 /nfs/dbraw/zinc/67/28/03/378672803.db2.gz KXZWADKSSHHBAV-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP C[N@@H+](Cc1nc(-c2ccccc2)cs1)CC(C)(C)C[NH3+] ZINC000346677641 378672807 /nfs/dbraw/zinc/67/28/07/378672807.db2.gz KXZWADKSSHHBAV-UHFFFAOYSA-N 2 2 289.448 3.227 20 0 CGADLP CCSCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000272715501 378694319 /nfs/dbraw/zinc/69/43/19/378694319.db2.gz APSYUAZHYYDDFX-UHFFFAOYSA-N 2 2 275.421 3.105 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)CCC1CC1)[NH+]1CCC(C)CC1 ZINC000346620984 378649048 /nfs/dbraw/zinc/64/90/48/378649048.db2.gz RWVILXQEROSMPB-LSDHHAIUSA-N 2 2 252.446 3.275 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)[nH]1 ZINC000273202062 378739098 /nfs/dbraw/zinc/73/90/98/378739098.db2.gz FFRXKOUYVRFSBF-QGZVFWFLSA-N 2 2 299.418 3.196 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)[nH]1 ZINC000273202062 378739105 /nfs/dbraw/zinc/73/91/05/378739105.db2.gz FFRXKOUYVRFSBF-QGZVFWFLSA-N 2 2 299.418 3.196 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000348067355 378773744 /nfs/dbraw/zinc/77/37/44/378773744.db2.gz FCRFDGYVTFHSTL-IAGOWNOFSA-N 2 2 269.392 3.210 20 0 CGADLP Cc1cccc2c(NCc3[nH+]ccn3C)c(C)c[nH+]c12 ZINC000274165582 378786007 /nfs/dbraw/zinc/78/60/07/378786007.db2.gz LVPRMRCLNUQQFZ-UHFFFAOYSA-N 2 2 266.348 3.197 20 0 CGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)OC ZINC000638421336 378797294 /nfs/dbraw/zinc/79/72/94/378797294.db2.gz RPSRGRAMMZVHHR-WMLDXEAASA-N 2 2 287.407 3.023 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1F ZINC000348186090 378829032 /nfs/dbraw/zinc/82/90/32/378829032.db2.gz LRCOOXBLOBZAFY-SWLSCSKDSA-N 2 2 273.355 3.078 20 0 CGADLP C[C@@H](C[NH2+]CC1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000638618919 378852937 /nfs/dbraw/zinc/85/29/37/378852937.db2.gz PMYQRXGQJSRYAD-HNNXBMFYSA-N 2 2 292.492 3.240 20 0 CGADLP C[C@@H](C[NH2+]CC1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000638618919 378852940 /nfs/dbraw/zinc/85/29/40/378852940.db2.gz PMYQRXGQJSRYAD-HNNXBMFYSA-N 2 2 292.492 3.240 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)c1ccccc1 ZINC000278498048 194012677 /nfs/dbraw/zinc/01/26/77/194012677.db2.gz NBBWDERHTLULBJ-AWEZNQCLSA-N 2 2 254.377 3.326 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)C1 ZINC000348305136 378897168 /nfs/dbraw/zinc/89/71/68/378897168.db2.gz NNAIGOPKOPNDMN-FAAHXZRKSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)C1 ZINC000348305136 378897173 /nfs/dbraw/zinc/89/71/73/378897173.db2.gz NNAIGOPKOPNDMN-FAAHXZRKSA-N 2 2 280.362 3.065 20 0 CGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cn1 ZINC000274857589 378907623 /nfs/dbraw/zinc/90/76/23/378907623.db2.gz CIGFYVJRIFSRAG-GFCCVEGCSA-N 2 2 293.842 3.403 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000347032315 218098953 /nfs/dbraw/zinc/09/89/53/218098953.db2.gz ZTSUNMRRFIJNNY-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000347032315 218098954 /nfs/dbraw/zinc/09/89/54/218098954.db2.gz ZTSUNMRRFIJNNY-AWEZNQCLSA-N 2 2 298.377 3.089 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CCc1cccn1C ZINC000275199310 378948170 /nfs/dbraw/zinc/94/81/70/378948170.db2.gz FSNWWCPVKBDNKC-MRXNPFEDSA-N 2 2 285.435 3.272 20 0 CGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347873 378957881 /nfs/dbraw/zinc/95/78/81/378957881.db2.gz YMNXOHKUCIGTLX-SWLSCSKDSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccccc1Cl ZINC000275347873 378957887 /nfs/dbraw/zinc/95/78/87/378957887.db2.gz YMNXOHKUCIGTLX-SWLSCSKDSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccccc1Cl ZINC000275347873 378957890 /nfs/dbraw/zinc/95/78/90/378957890.db2.gz YMNXOHKUCIGTLX-SWLSCSKDSA-N 2 2 266.816 3.112 20 0 CGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccccc1Cl ZINC000275347873 378957898 /nfs/dbraw/zinc/95/78/98/378957898.db2.gz YMNXOHKUCIGTLX-SWLSCSKDSA-N 2 2 266.816 3.112 20 0 CGADLP CCc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347092807 218118474 /nfs/dbraw/zinc/11/84/74/218118474.db2.gz PTPROKIPOPCMGK-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP CCc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347092807 218118475 /nfs/dbraw/zinc/11/84/75/218118475.db2.gz PTPROKIPOPCMGK-GOSISDBHSA-N 2 2 282.387 3.297 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000347107560 218124960 /nfs/dbraw/zinc/12/49/60/218124960.db2.gz OEQGAXBGPPYQIA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000347107560 218124961 /nfs/dbraw/zinc/12/49/61/218124961.db2.gz OEQGAXBGPPYQIA-GOSISDBHSA-N 2 2 296.414 3.189 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000347115765 218125581 /nfs/dbraw/zinc/12/55/81/218125581.db2.gz UDUHDPUWBXNYHL-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000347115765 218125583 /nfs/dbraw/zinc/12/55/83/218125583.db2.gz UDUHDPUWBXNYHL-ZDUSSCGKSA-N 2 2 293.480 3.232 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123463 218129981 /nfs/dbraw/zinc/12/99/81/218129981.db2.gz NXTRWYRPPOUCAS-INMHGKMJSA-N 2 2 274.408 3.361 20 0 CGADLP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000347123463 218129983 /nfs/dbraw/zinc/12/99/83/218129983.db2.gz NXTRWYRPPOUCAS-INMHGKMJSA-N 2 2 274.408 3.361 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000347123471 218128807 /nfs/dbraw/zinc/12/88/07/218128807.db2.gz OBIWKNNKYVMWMM-MRXNPFEDSA-N 2 2 288.416 3.413 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)s1 ZINC000347123471 218128811 /nfs/dbraw/zinc/12/88/11/218128811.db2.gz OBIWKNNKYVMWMM-MRXNPFEDSA-N 2 2 288.416 3.413 20 0 CGADLP COC1(C[C@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCC1 ZINC000277022869 379047813 /nfs/dbraw/zinc/04/78/13/379047813.db2.gz DMGJYMUPIATACQ-HNNXBMFYSA-N 2 2 291.439 3.211 20 0 CGADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H]3C3CCC3)[nH+]c2)c[nH+]1 ZINC000348829834 379067442 /nfs/dbraw/zinc/06/74/42/379067442.db2.gz AKZBOTSOFYAFEG-JKSUJKDBSA-N 2 2 282.391 3.317 20 0 CGADLP C[C@@H]1CCC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348833628 379072811 /nfs/dbraw/zinc/07/28/11/379072811.db2.gz NUIFJNKDUNMBCS-HIFRSBDPSA-N 2 2 270.380 3.317 20 0 CGADLP C[C@H](CCC1CC1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348836914 379076610 /nfs/dbraw/zinc/07/66/10/379076610.db2.gz FMMDIWSOYLHIOE-CYBMUJFWSA-N 2 2 270.380 3.317 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccsc2)CC1 ZINC000278718919 194120654 /nfs/dbraw/zinc/12/06/54/194120654.db2.gz PJNOCGSJOFQZKG-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870317 379092682 /nfs/dbraw/zinc/09/26/82/379092682.db2.gz SDBIWBUVGVVJMU-OXHHNNNVSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000348870317 379092696 /nfs/dbraw/zinc/09/26/96/379092696.db2.gz SDBIWBUVGVVJMU-OXHHNNNVSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000348870317 379092710 /nfs/dbraw/zinc/09/27/10/379092710.db2.gz SDBIWBUVGVVJMU-OXHHNNNVSA-N 2 2 288.435 3.460 20 0 CGADLP C[C@H]1C[C@@H]1c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000348870317 379092723 /nfs/dbraw/zinc/09/27/23/379092723.db2.gz SDBIWBUVGVVJMU-OXHHNNNVSA-N 2 2 288.435 3.460 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000278741474 194132056 /nfs/dbraw/zinc/13/20/56/194132056.db2.gz WMDPHALPVNXYIM-UHFFFAOYSA-N 2 2 292.423 3.048 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347453911 218241090 /nfs/dbraw/zinc/24/10/90/218241090.db2.gz KZMGIGPTMKNLJR-IRXDYDNUSA-N 2 2 299.418 3.061 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347453911 218241094 /nfs/dbraw/zinc/24/10/94/218241094.db2.gz KZMGIGPTMKNLJR-IRXDYDNUSA-N 2 2 299.418 3.061 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000639228151 379166936 /nfs/dbraw/zinc/16/69/36/379166936.db2.gz PZXFUVROTBVTSI-CXAGYDPISA-N 2 2 291.439 3.116 20 0 CGADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149951 379172381 /nfs/dbraw/zinc/17/23/81/379172381.db2.gz MHNVFBDYWOYTKD-HOCLYGCPSA-N 2 2 269.392 3.013 20 0 CGADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000349149951 379172387 /nfs/dbraw/zinc/17/23/87/379172387.db2.gz MHNVFBDYWOYTKD-HOCLYGCPSA-N 2 2 269.392 3.013 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000373109130 379223690 /nfs/dbraw/zinc/22/36/90/379223690.db2.gz FLCDGOABEGSJKT-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000373109130 379223697 /nfs/dbraw/zinc/22/36/97/379223697.db2.gz FLCDGOABEGSJKT-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP CC(C)n1cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000373519478 379292067 /nfs/dbraw/zinc/29/20/67/379292067.db2.gz FWAQXNUZXUHDTC-OOHWJJMZSA-N 2 2 290.455 3.132 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccs2)CC1 ZINC000639374129 379329185 /nfs/dbraw/zinc/32/91/85/379329185.db2.gz BAKXMEIPXYMYIB-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2csc(C)c2)CC1 ZINC000639377712 379336060 /nfs/dbraw/zinc/33/60/60/379336060.db2.gz GQCFBMHAAPAWNK-UHFFFAOYSA-N 2 2 266.454 3.363 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000639390578 379357617 /nfs/dbraw/zinc/35/76/17/379357617.db2.gz GFPXFVRINBJLRP-BPUTZDHNSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000639390578 379357622 /nfs/dbraw/zinc/35/76/22/379357622.db2.gz GFPXFVRINBJLRP-BPUTZDHNSA-N 2 2 294.389 3.203 20 0 CGADLP C[N@H+](C/C=C/c1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399308 379364949 /nfs/dbraw/zinc/36/49/49/379364949.db2.gz UIDOHQHGJKGERB-RCAFFNEUSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399308 379364956 /nfs/dbraw/zinc/36/49/56/379364956.db2.gz UIDOHQHGJKGERB-RCAFFNEUSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399959 379365173 /nfs/dbraw/zinc/36/51/73/379365173.db2.gz WTVHIXXNEFWJHK-BAHPRDJBSA-N 2 2 292.373 3.004 20 0 CGADLP C[N@@H+](C/C=C\c1ccc(F)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000639399959 379365177 /nfs/dbraw/zinc/36/51/77/379365177.db2.gz WTVHIXXNEFWJHK-BAHPRDJBSA-N 2 2 292.373 3.004 20 0 CGADLP Cc1cc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1 ZINC000639513503 379445106 /nfs/dbraw/zinc/44/51/06/379445106.db2.gz ICXDAFRQOYUBPN-UHFFFAOYSA-N 2 2 284.407 3.110 20 0 CGADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266949875 190292757 /nfs/dbraw/zinc/29/27/57/190292757.db2.gz TYMMRBWFJIIHKT-HNNXBMFYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266949875 190292758 /nfs/dbraw/zinc/29/27/58/190292758.db2.gz TYMMRBWFJIIHKT-HNNXBMFYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377409965 379674999 /nfs/dbraw/zinc/67/49/99/379674999.db2.gz JAWPUKXAEYWISB-GDBMZVCRSA-N 2 2 283.419 3.186 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377409965 379675004 /nfs/dbraw/zinc/67/50/04/379675004.db2.gz JAWPUKXAEYWISB-GDBMZVCRSA-N 2 2 283.419 3.186 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839385 379747391 /nfs/dbraw/zinc/74/73/91/379747391.db2.gz IRBYOALNVUWEHZ-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839385 379747401 /nfs/dbraw/zinc/74/74/01/379747401.db2.gz IRBYOALNVUWEHZ-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839385 379747408 /nfs/dbraw/zinc/74/74/08/379747408.db2.gz IRBYOALNVUWEHZ-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000377839385 379747415 /nfs/dbraw/zinc/74/74/15/379747415.db2.gz IRBYOALNVUWEHZ-DOMZBBRYSA-N 2 2 298.352 3.020 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2Cl)s1 ZINC000352247361 379758938 /nfs/dbraw/zinc/75/89/38/379758938.db2.gz XVSIWBNTKSLCNK-UHFFFAOYSA-N 2 2 295.839 3.148 20 0 CGADLP c1cn(-c2ccc(C[NH+]3CCC4(CCCC4)CC3)cn2)c[nH+]1 ZINC000267389410 190326108 /nfs/dbraw/zinc/32/61/08/190326108.db2.gz OJVBCSNPPAXUPK-UHFFFAOYSA-N 2 2 296.418 3.424 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000280720957 379772775 /nfs/dbraw/zinc/77/27/75/379772775.db2.gz UYHQMUZTWMWGIW-MWQQHZPXSA-N 2 2 270.420 3.147 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000280720957 379772784 /nfs/dbraw/zinc/77/27/84/379772784.db2.gz UYHQMUZTWMWGIW-MWQQHZPXSA-N 2 2 270.420 3.147 20 0 CGADLP Cc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000352355899 379777177 /nfs/dbraw/zinc/77/71/77/379777177.db2.gz FSRGMQIAMNRKTP-UHFFFAOYSA-N 2 2 297.402 3.137 20 0 CGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352527333 379844558 /nfs/dbraw/zinc/84/45/58/379844558.db2.gz ZAJUWBZNZHIKFC-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352527333 379844562 /nfs/dbraw/zinc/84/45/62/379844562.db2.gz ZAJUWBZNZHIKFC-OAHLLOKOSA-N 2 2 282.790 3.055 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000390785722 379906697 /nfs/dbraw/zinc/90/66/97/379906697.db2.gz OWQMUQUEOCVVAO-GOSISDBHSA-N 2 2 296.414 3.059 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000390785722 379906704 /nfs/dbraw/zinc/90/67/04/379906704.db2.gz OWQMUQUEOCVVAO-GOSISDBHSA-N 2 2 296.414 3.059 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)s1 ZINC000399037101 379932193 /nfs/dbraw/zinc/93/21/93/379932193.db2.gz OPTIUBKXKWMCHO-UTLUCORTSA-N 2 2 258.818 3.193 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C\c2ccccc2)s1 ZINC000352737205 379932618 /nfs/dbraw/zinc/93/26/18/379932618.db2.gz JPAWXRLFLKZDMO-TWGQIWQCSA-N 2 2 287.432 3.008 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC000399027244 379932815 /nfs/dbraw/zinc/93/28/15/379932815.db2.gz HUZHTHQCMQAMCI-CZUORRHYSA-N 2 2 254.377 3.070 20 0 CGADLP Cc1cccc(CCn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)[nH+]1 ZINC000399709784 379943314 /nfs/dbraw/zinc/94/33/14/379943314.db2.gz CUHISYIPIASGOU-STQMWFEESA-N 2 2 269.392 3.200 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000400416057 379949388 /nfs/dbraw/zinc/94/93/88/379949388.db2.gz VJASZXOJADVIEQ-COPLHBTASA-N 2 2 297.240 3.240 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000400510540 379950802 /nfs/dbraw/zinc/95/08/02/379950802.db2.gz LKJAEOGJFLMEJC-GVXVVHGQSA-N 2 2 284.350 3.079 20 0 CGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000282826706 379997729 /nfs/dbraw/zinc/99/77/29/379997729.db2.gz UYSVGBJZUXZSIK-HOCLYGCPSA-N 2 2 289.398 3.385 20 0 CGADLP CCCOc1cccc2c(N3CC[N@H+](C)C[C@@H]3C)cc[nH+]c12 ZINC000352848207 380002732 /nfs/dbraw/zinc/00/27/32/380002732.db2.gz IZKWIUASROJONG-AWEZNQCLSA-N 2 2 299.418 3.164 20 0 CGADLP CCCOc1cccc2c(N3CC[N@@H+](C)C[C@@H]3C)cc[nH+]c12 ZINC000352848207 380002733 /nfs/dbraw/zinc/00/27/33/380002733.db2.gz IZKWIUASROJONG-AWEZNQCLSA-N 2 2 299.418 3.164 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000352924681 380041876 /nfs/dbraw/zinc/04/18/76/380041876.db2.gz HNIZGXATTJVYNG-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000352924681 380041879 /nfs/dbraw/zinc/04/18/79/380041879.db2.gz HNIZGXATTJVYNG-GJZGRUSLSA-N 2 2 269.392 3.493 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C2 ZINC000641779523 380094805 /nfs/dbraw/zinc/09/48/05/380094805.db2.gz NBBKZYRXQQPBPO-CRAIPNDOSA-N 2 2 281.403 3.398 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)CC2 ZINC000641779523 380094810 /nfs/dbraw/zinc/09/48/10/380094810.db2.gz NBBKZYRXQQPBPO-CRAIPNDOSA-N 2 2 281.403 3.398 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2nsc3ccccc32)CC1 ZINC000641792931 380106988 /nfs/dbraw/zinc/10/69/88/380106988.db2.gz XVXDVGJRLPKMPA-UHFFFAOYSA-N 2 2 289.448 3.260 20 0 CGADLP c1cn(C2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c[nH+]1 ZINC000284027974 380117850 /nfs/dbraw/zinc/11/78/50/380117850.db2.gz OQSWZCQXOLTJQF-OAHLLOKOSA-N 2 2 259.397 3.409 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000353250075 380189011 /nfs/dbraw/zinc/18/90/11/380189011.db2.gz OGZACTJPTBERFI-KRWDZBQOSA-N 2 2 299.418 3.294 20 0 CGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)no1 ZINC000353250258 380189668 /nfs/dbraw/zinc/18/96/68/380189668.db2.gz FMGVUTVZNWXDMF-CYBMUJFWSA-N 2 2 282.347 3.020 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2oc3ccccc3c2OC)CC1 ZINC000353254715 380190407 /nfs/dbraw/zinc/19/04/07/380190407.db2.gz XMCFJWMFKPPWNH-UHFFFAOYSA-N 2 2 288.391 3.015 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000353985441 380265433 /nfs/dbraw/zinc/26/54/33/380265433.db2.gz CGMNPDRRIKXIRV-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000353985441 380265439 /nfs/dbraw/zinc/26/54/39/380265439.db2.gz CGMNPDRRIKXIRV-CRAIPNDOSA-N 2 2 288.435 3.147 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000414308573 380211423 /nfs/dbraw/zinc/21/14/23/380211423.db2.gz GGMBDLKGKNDIHZ-LSDHHAIUSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1cccc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000353572297 380213361 /nfs/dbraw/zinc/21/33/61/380213361.db2.gz UGJXVAMUAAYGQI-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cccc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000353572297 380213366 /nfs/dbraw/zinc/21/33/66/380213366.db2.gz UGJXVAMUAAYGQI-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC)cc1 ZINC000643501136 380321959 /nfs/dbraw/zinc/32/19/59/380321959.db2.gz WIXWMWZADDJMIL-DOTOQJQBSA-N 2 2 276.424 3.268 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000643500958 380322672 /nfs/dbraw/zinc/32/26/72/380322672.db2.gz KGXSWOTXRGEAOO-ZFWWWQNUSA-N 2 2 298.377 3.471 20 0 CGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502106 380324387 /nfs/dbraw/zinc/32/43/87/380324387.db2.gz XNGCLZVVRBJUFH-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506502 380327914 /nfs/dbraw/zinc/32/79/14/380327914.db2.gz ZAVRSBYGCRSWHC-CYBMUJFWSA-N 2 2 282.840 3.219 20 0 CGADLP Fc1ccccc1[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 ZINC000643506940 380328269 /nfs/dbraw/zinc/32/82/69/380328269.db2.gz NBENIJZQEQVHTG-QGZVFWFLSA-N 2 2 276.399 3.399 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000643508541 380331757 /nfs/dbraw/zinc/33/17/57/380331757.db2.gz BPHGONLINJJPTB-KSZLIROESA-N 2 2 290.451 3.357 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000643508838 380332038 /nfs/dbraw/zinc/33/20/38/380332038.db2.gz GPPHNXSXAQMNEM-GUYCJALGSA-N 2 2 269.392 3.049 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000643344775 380285427 /nfs/dbraw/zinc/28/54/27/380285427.db2.gz MYPXJLXGEIXYDN-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000643344775 380285431 /nfs/dbraw/zinc/28/54/31/380285431.db2.gz MYPXJLXGEIXYDN-WCQYABFASA-N 2 2 282.815 3.093 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000643467415 380313675 /nfs/dbraw/zinc/31/36/75/380313675.db2.gz BENQFSIODFNXOO-OWCLPIDISA-N 2 2 296.842 3.148 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414686894 380372855 /nfs/dbraw/zinc/37/28/55/380372855.db2.gz BRTRKNDNCGOQJF-WCQYABFASA-N 2 2 269.458 3.126 20 0 CGADLP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414686894 380372858 /nfs/dbraw/zinc/37/28/58/380372858.db2.gz BRTRKNDNCGOQJF-WCQYABFASA-N 2 2 269.458 3.126 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414702049 380379582 /nfs/dbraw/zinc/37/95/82/380379582.db2.gz LKYFVIDKKATKAB-UKRRQHHQSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414702049 380379587 /nfs/dbraw/zinc/37/95/87/380379587.db2.gz LKYFVIDKKATKAB-UKRRQHHQSA-N 2 2 278.415 3.392 20 0 CGADLP Cc1cccc(NC2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414702736 380379693 /nfs/dbraw/zinc/37/96/93/380379693.db2.gz LUWWDUKLOUBCRD-MRXNPFEDSA-N 2 2 289.467 3.245 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC23CC3)C[N@@H+]1Cc1ccccc1 ZINC000643800238 380381091 /nfs/dbraw/zinc/38/10/91/380381091.db2.gz GMOLXNMDDVYHBX-CVEARBPZSA-N 2 2 270.420 3.182 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2CC23CC3)C[N@H+]1Cc1ccccc1 ZINC000643800238 380381097 /nfs/dbraw/zinc/38/10/97/380381097.db2.gz GMOLXNMDDVYHBX-CVEARBPZSA-N 2 2 270.420 3.182 20 0 CGADLP c1cn2c(cccc2C[NH2+][C@@H]2CSc3ccccc32)[nH+]1 ZINC000354279322 380384108 /nfs/dbraw/zinc/38/41/08/380384108.db2.gz BXROCVYAQQXYGD-CQSZACIVSA-N 2 2 281.384 3.271 20 0 CGADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC[NH2+]C(C)(C)C ZINC000414741504 380391633 /nfs/dbraw/zinc/39/16/33/380391633.db2.gz MMXZLNIUTYDVOE-SWLSCSKDSA-N 2 2 298.858 3.394 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527078 380342709 /nfs/dbraw/zinc/34/27/09/380342709.db2.gz JTOAXVNKKQGNAK-RYUDHWBXSA-N 2 2 260.381 3.301 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354164765 380349447 /nfs/dbraw/zinc/34/94/47/380349447.db2.gz BYQUICPLBALSOD-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354164765 380349453 /nfs/dbraw/zinc/34/94/53/380349453.db2.gz BYQUICPLBALSOD-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354164765 380349459 /nfs/dbraw/zinc/34/94/59/380349459.db2.gz BYQUICPLBALSOD-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354164765 380349465 /nfs/dbraw/zinc/34/94/65/380349465.db2.gz BYQUICPLBALSOD-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1C(F)(F)F ZINC000643537942 380356013 /nfs/dbraw/zinc/35/60/13/380356013.db2.gz VGYLUYOFCKYNFU-DCAQKATOSA-N 2 2 290.304 3.056 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC000643538183 380356231 /nfs/dbraw/zinc/35/62/31/380356231.db2.gz APIHKWBWJVLFQP-FIXIBIHLSA-N 2 2 284.806 3.122 20 0 CGADLP COc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)ccc1C ZINC000354198046 380362190 /nfs/dbraw/zinc/36/21/90/380362190.db2.gz CMJYVDORLDAXQR-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414824107 380433392 /nfs/dbraw/zinc/43/33/92/380433392.db2.gz AELBMBYUNPWNDQ-KDOFPFPSSA-N 2 2 286.394 3.436 20 0 CGADLP CC(C)c1ncc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000414835247 380444214 /nfs/dbraw/zinc/44/42/14/380444214.db2.gz RHGZAWNBRIYZCY-AWEZNQCLSA-N 2 2 275.421 3.056 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000414779098 380400798 /nfs/dbraw/zinc/40/07/98/380400798.db2.gz ZOWJFWYHZQAOLU-CRAIPNDOSA-N 2 2 296.414 3.187 20 0 CGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000414779098 380400805 /nfs/dbraw/zinc/40/08/05/380400805.db2.gz ZOWJFWYHZQAOLU-CRAIPNDOSA-N 2 2 296.414 3.187 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000414788632 380405089 /nfs/dbraw/zinc/40/50/89/380405089.db2.gz DRFCOVHOFYNVIH-OAHLLOKOSA-N 2 2 295.858 3.013 20 0 CGADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414790705 380406283 /nfs/dbraw/zinc/40/62/83/380406283.db2.gz PUGHJBVCTPMERI-UHFFFAOYSA-N 2 2 292.732 3.200 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414906700 380484551 /nfs/dbraw/zinc/48/45/51/380484551.db2.gz AGMLSQQTWYRPKZ-WCQYABFASA-N 2 2 266.454 3.133 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc2cccnc12 ZINC000414932554 380495008 /nfs/dbraw/zinc/49/50/08/380495008.db2.gz SVVBMUFOMISQLY-QGZVFWFLSA-N 2 2 297.446 3.411 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c[nH+]1 ZINC000354588416 380495138 /nfs/dbraw/zinc/49/51/38/380495138.db2.gz WNQNBAOGKNQVGL-SJORKVTESA-N 2 2 290.451 3.052 20 0 CGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c[nH+]1 ZINC000354588416 380495143 /nfs/dbraw/zinc/49/51/43/380495143.db2.gz WNQNBAOGKNQVGL-SJORKVTESA-N 2 2 290.451 3.052 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CC[NH2+]1 ZINC000414941956 380500219 /nfs/dbraw/zinc/50/02/19/380500219.db2.gz DCHCOKIZRQSVIH-CMPLNLGQSA-N 2 2 293.461 3.102 20 0 CGADLP Clc1sccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414857702 380459921 /nfs/dbraw/zinc/45/99/21/380459921.db2.gz FHZDQEZBZSVXHC-UHFFFAOYSA-N 2 2 295.839 3.066 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414862462 380463154 /nfs/dbraw/zinc/46/31/54/380463154.db2.gz ALQRSBOWNNRFEZ-UHFFFAOYSA-N 2 2 292.757 3.031 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+]CCCc3ccc(C)[nH+]c3)nc2c1 ZINC000354513839 380465694 /nfs/dbraw/zinc/46/56/94/380465694.db2.gz ZMILIDGKQCLPSX-UHFFFAOYSA-N 2 2 294.402 3.297 20 0 CGADLP Cc1ccc2nc(C[NH2+]CCCc3ccc(C)[nH+]c3)[nH]c2c1 ZINC000354513839 380465701 /nfs/dbraw/zinc/46/57/01/380465701.db2.gz ZMILIDGKQCLPSX-UHFFFAOYSA-N 2 2 294.402 3.297 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414873447 380468769 /nfs/dbraw/zinc/46/87/69/380468769.db2.gz RGKSDYHZRDFGMT-UHFFFAOYSA-N 2 2 254.805 3.046 20 0 CGADLP COc1cc(F)cc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354540881 380478030 /nfs/dbraw/zinc/47/80/30/380478030.db2.gz BNDGXLZLQIDGAU-UHFFFAOYSA-N 2 2 288.366 3.260 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314407 380591477 /nfs/dbraw/zinc/59/14/77/380591477.db2.gz RENZSGMPRLHURX-PAPYEOQZSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314407 380591483 /nfs/dbraw/zinc/59/14/83/380591483.db2.gz RENZSGMPRLHURX-PAPYEOQZSA-N 2 2 276.449 3.066 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417332848 380595791 /nfs/dbraw/zinc/59/57/91/380595791.db2.gz OYDOWPPIUPGIRY-MELADBBJSA-N 2 2 278.465 3.314 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000645150517 380596420 /nfs/dbraw/zinc/59/64/20/380596420.db2.gz UJPKWJNDWKRQSA-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000645150517 380596428 /nfs/dbraw/zinc/59/64/28/380596428.db2.gz UJPKWJNDWKRQSA-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000417360942 380609926 /nfs/dbraw/zinc/60/99/26/380609926.db2.gz XUXZZZXASCYAOG-HZPDHXFCSA-N 2 2 276.399 3.146 20 0 CGADLP CCn1c[nH+]cc1CNc1cc(C[NH+]2CCCC2)ccc1C ZINC000417845211 380682217 /nfs/dbraw/zinc/68/22/17/380682217.db2.gz XNBNGLNGSKBPTR-UHFFFAOYSA-N 2 2 298.434 3.419 20 0 CGADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC1(C)C ZINC000418112028 380702223 /nfs/dbraw/zinc/70/22/23/380702223.db2.gz YPRGRBJUZSUSJC-UONOGXRCSA-N 2 2 257.381 3.249 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147646 380714227 /nfs/dbraw/zinc/71/42/27/380714227.db2.gz RKZPCHWIPWNCKA-MRXNPFEDSA-N 2 2 296.499 3.245 20 0 CGADLP C[C@H](CC1CCOCC1)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147646 380714236 /nfs/dbraw/zinc/71/42/36/380714236.db2.gz RKZPCHWIPWNCKA-MRXNPFEDSA-N 2 2 296.499 3.245 20 0 CGADLP Fc1cccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)c1 ZINC000646002253 380796635 /nfs/dbraw/zinc/79/66/35/380796635.db2.gz ZOUIOKZPUGWABJ-UHFFFAOYSA-N 2 2 273.355 3.081 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000646090659 380828318 /nfs/dbraw/zinc/82/83/18/380828318.db2.gz PVMQTKWIAZMHNE-USXIJHARSA-N 2 2 267.376 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(F)cc1F ZINC000420367211 380852395 /nfs/dbraw/zinc/85/23/95/380852395.db2.gz MUMJLMBHSCSOEK-KIGUWFBYSA-N 2 2 268.351 3.002 20 0 CGADLP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356853596 380901219 /nfs/dbraw/zinc/90/12/19/380901219.db2.gz SGZHKNUWPZSMQT-LLVKDONJSA-N 2 2 278.362 3.039 20 0 CGADLP CC[N@H+](CCNc1cc[nH+]c2c(OC)cccc12)C(C)C ZINC000357236877 381078444 /nfs/dbraw/zinc/07/84/44/381078444.db2.gz VCOUKFOSYRNJTF-UHFFFAOYSA-N 2 2 287.407 3.386 20 0 CGADLP CC[N@@H+](CCNc1cc[nH+]c2c(OC)cccc12)C(C)C ZINC000357236877 381078454 /nfs/dbraw/zinc/07/84/54/381078454.db2.gz VCOUKFOSYRNJTF-UHFFFAOYSA-N 2 2 287.407 3.386 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000360483950 381557323 /nfs/dbraw/zinc/55/73/23/381557323.db2.gz OQVZKYLALFZMHB-AWEZNQCLSA-N 2 2 289.423 3.146 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000227056689 542291675 /nfs/dbraw/zinc/29/16/75/542291675.db2.gz KWZNSTZVWGWMIY-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000227056689 542291677 /nfs/dbraw/zinc/29/16/77/542291677.db2.gz KWZNSTZVWGWMIY-CVEARBPZSA-N 2 2 278.827 3.475 20 0 CGADLP CC[N@H+](CCC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000362415471 381982037 /nfs/dbraw/zinc/98/20/37/381982037.db2.gz KAQSSXVUWZBKSG-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP CC[N@@H+](CCC1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000362415471 381982044 /nfs/dbraw/zinc/98/20/44/381982044.db2.gz KAQSSXVUWZBKSG-UHFFFAOYSA-N 2 2 287.451 3.420 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228178484 542298060 /nfs/dbraw/zinc/29/80/60/542298060.db2.gz DEYSNCCFXJJASD-PWSUYJOCSA-N 2 2 291.420 3.023 20 0 CGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000228178484 542298062 /nfs/dbraw/zinc/29/80/62/542298062.db2.gz DEYSNCCFXJJASD-PWSUYJOCSA-N 2 2 291.420 3.023 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235510260 542312767 /nfs/dbraw/zinc/31/27/67/542312767.db2.gz BCHNJWWDSAUTKF-SMDDNHRTSA-N 2 2 252.789 3.133 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000366831675 382319005 /nfs/dbraw/zinc/31/90/05/382319005.db2.gz NFDKSODPMUWBDF-GFCCVEGCSA-N 2 2 296.349 3.101 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000368690076 382379638 /nfs/dbraw/zinc/37/96/38/382379638.db2.gz WHZDBDKZOPHOGR-MGPQQGTHSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000368690076 382379641 /nfs/dbraw/zinc/37/96/41/382379641.db2.gz WHZDBDKZOPHOGR-MGPQQGTHSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@H]1C[N@H+](Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000251701638 542347819 /nfs/dbraw/zinc/34/78/19/542347819.db2.gz IZUJJQQHJBEJGE-SMDDNHRTSA-N 2 2 297.240 3.008 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2ccccc2Br)CC[C@H]1[NH3+] ZINC000251701638 542347820 /nfs/dbraw/zinc/34/78/20/542347820.db2.gz IZUJJQQHJBEJGE-SMDDNHRTSA-N 2 2 297.240 3.008 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250658547 542343605 /nfs/dbraw/zinc/34/36/05/542343605.db2.gz YFZZDQNJFWRCAW-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000250658547 542343611 /nfs/dbraw/zinc/34/36/11/542343611.db2.gz YFZZDQNJFWRCAW-ZFWWWQNUSA-N 2 2 264.800 3.011 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@@H](F)C3)c[nH+]c12 ZINC000335372725 208305743 /nfs/dbraw/zinc/30/57/43/208305743.db2.gz OEIPZAWZJTYBLX-CHWSQXEVSA-N 2 2 261.344 3.013 20 0 CGADLP CC[N@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345185245 285095784 /nfs/dbraw/zinc/09/57/84/285095784.db2.gz ZELJQRLZVYWPDU-AWEZNQCLSA-N 2 2 284.806 3.443 20 0 CGADLP CC[N@@H+](Cc1cc(F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345185245 285095787 /nfs/dbraw/zinc/09/57/87/285095787.db2.gz ZELJQRLZVYWPDU-AWEZNQCLSA-N 2 2 284.806 3.443 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(F)cc1F ZINC000349364415 218855307 /nfs/dbraw/zinc/85/53/07/218855307.db2.gz GKXXBQGZIFKQBY-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(F)cc1F ZINC000349364415 218855309 /nfs/dbraw/zinc/85/53/09/218855309.db2.gz GKXXBQGZIFKQBY-UHFFFAOYSA-N 2 2 288.357 3.268 20 0 CGADLP CC[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435387444 285094929 /nfs/dbraw/zinc/09/49/29/285094929.db2.gz AGBVFHIKWGUQAH-GFCCVEGCSA-N 2 2 286.341 3.068 20 0 CGADLP CC[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435387444 285094934 /nfs/dbraw/zinc/09/49/34/285094934.db2.gz AGBVFHIKWGUQAH-GFCCVEGCSA-N 2 2 286.341 3.068 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353747145 220302017 /nfs/dbraw/zinc/30/20/17/220302017.db2.gz OFVSPFKXWJYBOC-UONOGXRCSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353747145 220302021 /nfs/dbraw/zinc/30/20/21/220302021.db2.gz OFVSPFKXWJYBOC-UONOGXRCSA-N 2 2 255.365 3.103 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000289328151 197298474 /nfs/dbraw/zinc/29/84/74/197298474.db2.gz UNFOBTJYQOEOPX-IBGZPJMESA-N 2 2 280.415 3.470 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255001 197277158 /nfs/dbraw/zinc/27/71/58/197277158.db2.gz BRYUUIVLVYXQMW-MBVDDHJVSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255001 197277160 /nfs/dbraw/zinc/27/71/60/197277160.db2.gz BRYUUIVLVYXQMW-MBVDDHJVSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255001 197277161 /nfs/dbraw/zinc/27/71/61/197277161.db2.gz BRYUUIVLVYXQMW-MBVDDHJVSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000289255001 197277163 /nfs/dbraw/zinc/27/71/63/197277163.db2.gz BRYUUIVLVYXQMW-MBVDDHJVSA-N 2 2 294.389 3.252 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000423230980 533108298 /nfs/dbraw/zinc/10/82/98/533108298.db2.gz AHPRYKACWGAFFT-MLGOLLRUSA-N 2 2 288.366 3.185 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c(F)c1 ZINC000423509307 533172705 /nfs/dbraw/zinc/17/27/05/533172705.db2.gz JKOPYYSCIXWIQP-ZBEGNZNMSA-N 2 2 280.387 3.002 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000298272175 542410453 /nfs/dbraw/zinc/41/04/53/542410453.db2.gz GKMDUPNZMZAFGE-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000298272175 542410456 /nfs/dbraw/zinc/41/04/56/542410456.db2.gz GKMDUPNZMZAFGE-KRWDZBQOSA-N 2 2 269.392 3.190 20 0 CGADLP COc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])c2ccccc2)cc1 ZINC000423288030 533191647 /nfs/dbraw/zinc/19/16/47/533191647.db2.gz PZWSSHXUCOIPHD-QGZVFWFLSA-N 2 2 284.403 3.112 20 0 CGADLP C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358321875 533358870 /nfs/dbraw/zinc/35/88/70/533358870.db2.gz SFKWWEUOEDVPCL-OAHLLOKOSA-N 2 2 299.418 3.076 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423232017 533411521 /nfs/dbraw/zinc/41/15/21/533411521.db2.gz BSVWWUFMTAPKAD-PBHICJAKSA-N 2 2 284.403 3.354 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423314463 533412005 /nfs/dbraw/zinc/41/20/05/533412005.db2.gz HHMSUSGCQGPKEY-AMIZOPFISA-N 2 2 273.207 3.381 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(Cl)sc1Cl ZINC000423319009 533429966 /nfs/dbraw/zinc/42/99/66/533429966.db2.gz LIXKUDZQDWEXBV-MUWHJKNJSA-N 2 2 279.236 3.443 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000414069516 533457987 /nfs/dbraw/zinc/45/79/87/533457987.db2.gz KNAGCASOKITQAJ-UMVBOHGHSA-N 2 2 255.365 3.006 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402628 533511454 /nfs/dbraw/zinc/51/14/54/533511454.db2.gz RLPMHDVKAXLOHJ-PXAZEXFGSA-N 2 2 254.377 3.228 20 0 CGADLP CSCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000439474455 533563669 /nfs/dbraw/zinc/56/36/69/533563669.db2.gz WFIUERXQGJCERQ-UHFFFAOYSA-N 2 2 289.448 3.366 20 0 CGADLP CSCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000439474455 533563672 /nfs/dbraw/zinc/56/36/72/533563672.db2.gz WFIUERXQGJCERQ-UHFFFAOYSA-N 2 2 289.448 3.366 20 0 CGADLP COc1cc(C)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449298961 533666230 /nfs/dbraw/zinc/66/62/30/533666230.db2.gz LWEJGRSKNZPVIN-UHFFFAOYSA-N 2 2 288.435 3.110 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389187006 542606599 /nfs/dbraw/zinc/60/65/99/542606599.db2.gz SLWCCYICBGSEQM-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389187006 542606603 /nfs/dbraw/zinc/60/66/03/542606603.db2.gz SLWCCYICBGSEQM-HUUCEWRRSA-N 2 2 250.430 3.173 20 0 CGADLP FC1(F)CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000381877391 542599138 /nfs/dbraw/zinc/59/91/38/542599138.db2.gz NLLBPWMKSVPVQB-CVEARBPZSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000381877391 542599143 /nfs/dbraw/zinc/59/91/43/542599143.db2.gz NLLBPWMKSVPVQB-CVEARBPZSA-N 2 2 294.389 3.428 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000390584338 542610634 /nfs/dbraw/zinc/61/06/34/542610634.db2.gz QGYKKOZJYWSYSQ-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000390584338 542610639 /nfs/dbraw/zinc/61/06/39/542610639.db2.gz QGYKKOZJYWSYSQ-RYQLBKOJSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000191216722 130203112 /nfs/dbraw/zinc/20/31/12/130203112.db2.gz ALFNWEUTFHBGGY-HOTGVXAUSA-N 2 2 296.480 3.026 20 0 CGADLP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000191216755 130203445 /nfs/dbraw/zinc/20/34/45/130203445.db2.gz ALFNWEUTFHBGGY-CVEARBPZSA-N 2 2 296.480 3.026 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CCC2 ZINC000394778819 542614687 /nfs/dbraw/zinc/61/46/87/542614687.db2.gz PXCBMGDDVXARHI-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP C[C@@H]1CCSCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191816614 130309814 /nfs/dbraw/zinc/30/98/14/130309814.db2.gz VVPXCTLNOJXNBW-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP C[C@@H]1CCSCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191816614 130309816 /nfs/dbraw/zinc/30/98/16/130309816.db2.gz VVPXCTLNOJXNBW-CQSZACIVSA-N 2 2 287.432 3.200 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000054556573 392092940 /nfs/dbraw/zinc/09/29/40/392092940.db2.gz HTDMPSFNLDOFHJ-NRXISQOPSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000054556573 392092942 /nfs/dbraw/zinc/09/29/42/392092942.db2.gz HTDMPSFNLDOFHJ-NRXISQOPSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054467797 392093497 /nfs/dbraw/zinc/09/34/97/392093497.db2.gz OTVXQMCHJSOTBB-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054467797 392093502 /nfs/dbraw/zinc/09/35/02/392093502.db2.gz OTVXQMCHJSOTBB-RDJZCZTQSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079387 392087813 /nfs/dbraw/zinc/08/78/13/392087813.db2.gz KNNPJKQJLBFHHG-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000054079387 392087818 /nfs/dbraw/zinc/08/78/18/392087818.db2.gz KNNPJKQJLBFHHG-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000071120431 392188092 /nfs/dbraw/zinc/18/80/92/392188092.db2.gz CDGHKTHDAWJWIO-HZPDHXFCSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1C3CC4CC(C3)CC1C4)CCC2 ZINC000361665067 392289904 /nfs/dbraw/zinc/28/99/04/392289904.db2.gz UPGVMAZZXBNRAW-WUAWYGOHSA-N 2 2 299.462 3.483 20 0 CGADLP CO[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@H]1C ZINC000361843183 392342463 /nfs/dbraw/zinc/34/24/63/392342463.db2.gz PAKKOFSCJTVYQL-KDOFPFPSSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC[C@H]1C ZINC000361843183 392342471 /nfs/dbraw/zinc/34/24/71/392342471.db2.gz PAKKOFSCJTVYQL-KDOFPFPSSA-N 2 2 299.418 3.038 20 0 CGADLP c1cn(C2CC[NH+](CCCc3ccccc3)CC2)c[nH+]1 ZINC000109796107 392374745 /nfs/dbraw/zinc/37/47/45/392374745.db2.gz UCHSXXWEDZACIM-UHFFFAOYSA-N 2 2 269.392 3.153 20 0 CGADLP Cc1ccccc1OCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795156 392375290 /nfs/dbraw/zinc/37/52/90/392375290.db2.gz IXQBFVXCRCVSJQ-UHFFFAOYSA-N 2 2 299.418 3.298 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000361979664 392380489 /nfs/dbraw/zinc/38/04/89/392380489.db2.gz BHCJQUSFOSVXDB-KCXAZCMYSA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000361979664 392380491 /nfs/dbraw/zinc/38/04/91/392380491.db2.gz BHCJQUSFOSVXDB-KCXAZCMYSA-N 2 2 288.435 3.365 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000126556362 392442704 /nfs/dbraw/zinc/44/27/04/392442704.db2.gz DTYFRJZXVDQIEN-KZNAEPCWSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000126556362 392442710 /nfs/dbraw/zinc/44/27/10/392442710.db2.gz DTYFRJZXVDQIEN-KZNAEPCWSA-N 2 2 270.420 3.199 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000368099906 392486250 /nfs/dbraw/zinc/48/62/50/392486250.db2.gz GOJVLOMGRGNJPG-ZIAGYGMSSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000368099906 392486263 /nfs/dbraw/zinc/48/62/63/392486263.db2.gz GOJVLOMGRGNJPG-ZIAGYGMSSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151672078 392486740 /nfs/dbraw/zinc/48/67/40/392486740.db2.gz BKGGOUQDPOPSRY-QAPCUYQASA-N 2 2 288.435 3.147 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000296044992 392553244 /nfs/dbraw/zinc/55/32/44/392553244.db2.gz OFRUPTUMSTUHQO-OAHLLOKOSA-N 2 2 250.361 3.147 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000296044992 392553254 /nfs/dbraw/zinc/55/32/54/392553254.db2.gz OFRUPTUMSTUHQO-OAHLLOKOSA-N 2 2 250.361 3.147 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000300411415 392582607 /nfs/dbraw/zinc/58/26/07/392582607.db2.gz MYKQXODKDVRASX-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000300411415 392582610 /nfs/dbraw/zinc/58/26/10/392582610.db2.gz MYKQXODKDVRASX-SQNIBIBYSA-N 2 2 272.436 3.397 20 0 CGADLP CCCC[C@@H](COC)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000162246842 392594336 /nfs/dbraw/zinc/59/43/36/392594336.db2.gz SZSUIVGXSDHDPO-HNNXBMFYSA-N 2 2 289.423 3.140 20 0 CGADLP Cc1nnc([C@@H](C)[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)o1 ZINC000374645202 392685350 /nfs/dbraw/zinc/68/53/50/392685350.db2.gz INARDEHQIALFDM-GFCCVEGCSA-N 2 2 286.379 3.022 20 0 CGADLP C[NH+](C)C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccccc1 ZINC000647281431 392632942 /nfs/dbraw/zinc/63/29/42/392632942.db2.gz OMGFLJRIRZMRCC-HNNXBMFYSA-N 2 2 282.378 3.457 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000647284211 392635836 /nfs/dbraw/zinc/63/58/36/392635836.db2.gz HPDPSFXTGVXCLQ-RHSMWYFYSA-N 2 2 290.476 3.470 20 0 CGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000647284211 392635837 /nfs/dbraw/zinc/63/58/37/392635837.db2.gz HPDPSFXTGVXCLQ-RHSMWYFYSA-N 2 2 290.476 3.470 20 0 CGADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000181282298 392726464 /nfs/dbraw/zinc/72/64/64/392726464.db2.gz CPCFCWNCTRHCCT-ZOBUZTSGSA-N 2 2 289.467 3.132 20 0 CGADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)[C@@H](C)C1 ZINC000181282298 392726469 /nfs/dbraw/zinc/72/64/69/392726469.db2.gz CPCFCWNCTRHCCT-ZOBUZTSGSA-N 2 2 289.467 3.132 20 0 CGADLP c1cn(CCC[N@@H+]2CCS[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000375004573 392726969 /nfs/dbraw/zinc/72/69/69/392726969.db2.gz NJOHQICDVGFYKR-MRXNPFEDSA-N 2 2 287.432 3.063 20 0 CGADLP c1cn(CCC[N@H+]2CCS[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000375004573 392726973 /nfs/dbraw/zinc/72/69/73/392726973.db2.gz NJOHQICDVGFYKR-MRXNPFEDSA-N 2 2 287.432 3.063 20 0 CGADLP Clc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553945 392767794 /nfs/dbraw/zinc/76/77/94/392767794.db2.gz NSDSVSSXCQVBGM-CQSZACIVSA-N 2 2 264.800 3.104 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCC1CC1)CCC2 ZINC000375094178 392736012 /nfs/dbraw/zinc/73/60/12/392736012.db2.gz KXUDRRQWMIJFEL-IUODEOHRSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1Br ZINC000647531431 392753446 /nfs/dbraw/zinc/75/34/46/392753446.db2.gz WIKBHJXRRUFRSS-UHFFFAOYSA-N 2 2 297.240 3.071 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)Cc3ccsc3)cn21 ZINC000647365053 392707689 /nfs/dbraw/zinc/70/76/89/392707689.db2.gz XSPREHDMFBPQII-ZDUSSCGKSA-N 2 2 299.443 3.468 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C3CCCC3)cn21 ZINC000647364725 392707757 /nfs/dbraw/zinc/70/77/57/392707757.db2.gz KGLWNRACBWPNLF-AWEZNQCLSA-N 2 2 271.408 3.354 20 0 CGADLP Cc1cncc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647364239 392708327 /nfs/dbraw/zinc/70/83/27/392708327.db2.gz WEGGOUCBWVHJPP-HNNXBMFYSA-N 2 2 294.402 3.239 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccsc1 ZINC000375323038 392766747 /nfs/dbraw/zinc/76/67/47/392766747.db2.gz XEIPVIZSHUGOQS-LLVKDONJSA-N 2 2 261.394 3.132 20 0 CGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C ZINC000375904730 392840626 /nfs/dbraw/zinc/84/06/26/392840626.db2.gz LDFHEARHZBEKRA-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C ZINC000375904730 392840635 /nfs/dbraw/zinc/84/06/35/392840635.db2.gz LDFHEARHZBEKRA-QGZVFWFLSA-N 2 2 298.386 3.052 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000510554137 392802916 /nfs/dbraw/zinc/80/29/16/392802916.db2.gz QBEKYOJTLSMUQD-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP Cc1ccc(C2([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000647804300 392804441 /nfs/dbraw/zinc/80/44/41/392804441.db2.gz NOFKRDXNUJMABJ-ZBFHGGJFSA-N 2 2 258.409 3.104 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510654001 392806396 /nfs/dbraw/zinc/80/63/96/392806396.db2.gz UXRUPZLTNYWCKT-CABCVRRESA-N 2 2 258.425 3.226 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510654001 392806400 /nfs/dbraw/zinc/80/64/00/392806400.db2.gz UXRUPZLTNYWCKT-CABCVRRESA-N 2 2 258.425 3.226 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337501623 392888081 /nfs/dbraw/zinc/88/80/81/392888081.db2.gz BQBWRXILILRCPO-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC12CCC2 ZINC000337501623 392888088 /nfs/dbraw/zinc/88/80/88/392888088.db2.gz BQBWRXILILRCPO-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2)C1CC1 ZINC000381522997 392908981 /nfs/dbraw/zinc/90/89/81/392908981.db2.gz NEAVCQSGUGFLGP-ARAOSMHQSA-N 2 2 264.457 3.275 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CC2CCC1CC2)C1CC1 ZINC000381522997 392908986 /nfs/dbraw/zinc/90/89/86/392908986.db2.gz NEAVCQSGUGFLGP-ARAOSMHQSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858310 392867205 /nfs/dbraw/zinc/86/72/05/392867205.db2.gz BWUVQKGKOAWUFG-FDPIWHGQSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000516858310 392867211 /nfs/dbraw/zinc/86/72/11/392867211.db2.gz BWUVQKGKOAWUFG-FDPIWHGQSA-N 2 2 284.447 3.395 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392269717 392929841 /nfs/dbraw/zinc/92/98/41/392929841.db2.gz SHZCZASAIJOVPV-AWEZNQCLSA-N 2 2 278.827 3.123 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392269717 392929849 /nfs/dbraw/zinc/92/98/49/392929849.db2.gz SHZCZASAIJOVPV-AWEZNQCLSA-N 2 2 278.827 3.123 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000489884229 542715731 /nfs/dbraw/zinc/71/57/31/542715731.db2.gz MXLIDGZCRJVBMH-FDPIWHGQSA-N 2 2 284.447 3.428 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000489884229 542715734 /nfs/dbraw/zinc/71/57/34/542715734.db2.gz MXLIDGZCRJVBMH-FDPIWHGQSA-N 2 2 284.447 3.428 20 0 CGADLP c1nc(C2CC2)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000494940699 542721120 /nfs/dbraw/zinc/72/11/20/542721120.db2.gz TXVYKLQAAFWYQQ-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985549 542721162 /nfs/dbraw/zinc/72/11/62/542721162.db2.gz KYVDQRWWVIZFKP-TZMCWYRMSA-N 2 2 293.480 3.183 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985549 542721165 /nfs/dbraw/zinc/72/11/65/542721165.db2.gz KYVDQRWWVIZFKP-TZMCWYRMSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985549 542721169 /nfs/dbraw/zinc/72/11/69/542721169.db2.gz KYVDQRWWVIZFKP-TZMCWYRMSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2scnc2C2CC2)[C@H](C)C1 ZINC000494985549 542721172 /nfs/dbraw/zinc/72/11/72/542721172.db2.gz KYVDQRWWVIZFKP-TZMCWYRMSA-N 2 2 293.480 3.183 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494991643 542721666 /nfs/dbraw/zinc/72/16/66/542721666.db2.gz CGJYBFUVHBJREW-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494991643 542721672 /nfs/dbraw/zinc/72/16/72/542721672.db2.gz CGJYBFUVHBJREW-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP c1c[nH+]c(C2CC[NH+](Cc3scnc3C3CC3)CC2)[nH]1 ZINC000494917998 542722316 /nfs/dbraw/zinc/72/23/16/542722316.db2.gz CPGAQRSZFDCVPT-UHFFFAOYSA-N 2 2 288.420 3.123 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)c1 ZINC000459417093 392943904 /nfs/dbraw/zinc/94/39/04/392943904.db2.gz VIFILCYQAGSVKH-MRXNPFEDSA-N 2 2 283.419 3.069 20 0 CGADLP Cc1cc(C)cc([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)c1 ZINC000459417093 392943910 /nfs/dbraw/zinc/94/39/10/392943910.db2.gz VIFILCYQAGSVKH-MRXNPFEDSA-N 2 2 283.419 3.069 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000525864083 392950112 /nfs/dbraw/zinc/95/01/12/392950112.db2.gz ODKBHGOVROKOQI-QGZVFWFLSA-N 2 2 290.451 3.167 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]CCCCCOc2ccccc2)C1 ZINC000525864083 392950113 /nfs/dbraw/zinc/95/01/13/392950113.db2.gz ODKBHGOVROKOQI-QGZVFWFLSA-N 2 2 290.451 3.167 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCCn1cc[nH+]c1 ZINC000401649877 392951520 /nfs/dbraw/zinc/95/15/20/392951520.db2.gz KAWZOROCVZPKKH-HZPDHXFCSA-N 2 2 263.429 3.469 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450137 393024102 /nfs/dbraw/zinc/02/41/02/393024102.db2.gz YVVJXUXAMRTHNH-YOEHRIQHSA-N 2 2 298.430 3.438 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450137 393024107 /nfs/dbraw/zinc/02/41/07/393024107.db2.gz YVVJXUXAMRTHNH-YOEHRIQHSA-N 2 2 298.430 3.438 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000648450114 393024398 /nfs/dbraw/zinc/02/43/98/393024398.db2.gz VHGQYZSOLNTQSR-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000648450114 393024406 /nfs/dbraw/zinc/02/44/06/393024406.db2.gz VHGQYZSOLNTQSR-HZPDHXFCSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415040475 393109605 /nfs/dbraw/zinc/10/96/05/393109605.db2.gz OLMLCDXJMWFJPN-CYBMUJFWSA-N 2 2 286.341 3.244 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415034199 393104201 /nfs/dbraw/zinc/10/42/01/393104201.db2.gz CILJYXWVBAUJAD-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000415034199 393104208 /nfs/dbraw/zinc/10/42/08/393104208.db2.gz CILJYXWVBAUJAD-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000648472361 393043483 /nfs/dbraw/zinc/04/34/83/393043483.db2.gz WNAGNISMTHQRQW-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000648472361 393043488 /nfs/dbraw/zinc/04/34/88/393043488.db2.gz WNAGNISMTHQRQW-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)CCC2 ZINC000344532842 393046030 /nfs/dbraw/zinc/04/60/30/393046030.db2.gz GLBRHTCEZTYTPP-YDHLFZDLSA-N 2 2 275.440 3.483 20 0 CGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000414794331 393055398 /nfs/dbraw/zinc/05/53/98/393055398.db2.gz LWHUPZVBCCRVRB-GFCCVEGCSA-N 2 2 261.196 3.066 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414836721 393056700 /nfs/dbraw/zinc/05/67/00/393056700.db2.gz IXSVMDKOPXDZOV-LBPRGKRZSA-N 2 2 292.320 3.308 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414957868 393065542 /nfs/dbraw/zinc/06/55/42/393065542.db2.gz RGKUWVCFKSYJLL-IUODEOHRSA-N 2 2 272.392 3.225 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000648500112 393068684 /nfs/dbraw/zinc/06/86/84/393068684.db2.gz JGNDVCWGDQRNIZ-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414963534 393069632 /nfs/dbraw/zinc/06/96/32/393069632.db2.gz UBZRADPBSPFEEO-OAHLLOKOSA-N 2 2 298.430 3.450 20 0 CGADLP Cc1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000250912389 393115300 /nfs/dbraw/zinc/11/53/00/393115300.db2.gz BXDLNXPAMILWNR-ARFHVFGLSA-N 2 2 259.397 3.113 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000348327701 393120039 /nfs/dbraw/zinc/12/00/39/393120039.db2.gz OSJGJSIXVBLOHU-INIZCTEOSA-N 2 2 260.425 3.241 20 0 CGADLP CSc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415058581 393120306 /nfs/dbraw/zinc/12/03/06/393120306.db2.gz VUFFBFBUGGTFKE-ZWKOTPCHSA-N 2 2 298.455 3.254 20 0 CGADLP C[C@@H]1C[N@H+](Cc2csc(Cl)c2Cl)C[C@@]1(C)C[NH3+] ZINC000415061643 393122186 /nfs/dbraw/zinc/12/21/86/393122186.db2.gz WVUNSUQEOUHZKG-PRHODGIISA-N 2 2 293.263 3.472 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)C[C@@]1(C)C[NH3+] ZINC000415061643 393122190 /nfs/dbraw/zinc/12/21/90/393122190.db2.gz WVUNSUQEOUHZKG-PRHODGIISA-N 2 2 293.263 3.472 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000547505383 393123636 /nfs/dbraw/zinc/12/36/36/393123636.db2.gz IOCBUUBCBSPJQM-NWDGAFQWSA-N 2 2 266.351 3.039 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000547505383 393123638 /nfs/dbraw/zinc/12/36/38/393123638.db2.gz IOCBUUBCBSPJQM-NWDGAFQWSA-N 2 2 266.351 3.039 20 0 CGADLP Cc1cc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)oc2cc1C ZINC000415064880 393123938 /nfs/dbraw/zinc/12/39/38/393123938.db2.gz FCRRPLAFEVPDOM-HNNXBMFYSA-N 2 2 272.392 3.281 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(C)c1 ZINC000415070400 393128689 /nfs/dbraw/zinc/12/86/89/393128689.db2.gz UXISTUUFWKRQMW-GOSISDBHSA-N 2 2 268.404 3.347 20 0 CGADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415090592 393140520 /nfs/dbraw/zinc/14/05/20/393140520.db2.gz YCQZGKXPECACTJ-XFBWCDHKSA-N 2 2 296.817 3.489 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)CCC2 ZINC000353512487 393222591 /nfs/dbraw/zinc/22/25/91/393222591.db2.gz CWQPKZNUSXHKEH-QLFBSQMISA-N 2 2 279.403 3.187 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000353498609 393222690 /nfs/dbraw/zinc/22/26/90/393222690.db2.gz AMNZIBBSQGRODC-DZKIICNBSA-N 2 2 268.420 3.121 20 0 CGADLP FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353498609 393222695 /nfs/dbraw/zinc/22/26/95/393222695.db2.gz AMNZIBBSQGRODC-DZKIICNBSA-N 2 2 268.420 3.121 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc(C)c1 ZINC000353502425 393223579 /nfs/dbraw/zinc/22/35/79/393223579.db2.gz LEHASBBYOQWIDY-ROUUACIJSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc(C)c1 ZINC000353502425 393223587 /nfs/dbraw/zinc/22/35/87/393223587.db2.gz LEHASBBYOQWIDY-ROUUACIJSA-N 2 2 290.451 3.147 20 0 CGADLP C(=C\c1ccccc1)\C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025601 393237672 /nfs/dbraw/zinc/23/76/72/393237672.db2.gz GPGZTLHWKFKZLO-GINYUPMKSA-N 2 2 280.371 3.248 20 0 CGADLP C(=C\c1ccccc1)\C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354025601 393237676 /nfs/dbraw/zinc/23/76/76/393237676.db2.gz GPGZTLHWKFKZLO-GINYUPMKSA-N 2 2 280.371 3.248 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000354304265 393243208 /nfs/dbraw/zinc/24/32/08/393243208.db2.gz MLCMGBVARGFRFJ-IXYNUQLISA-N 2 2 252.446 3.274 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000354304265 393243213 /nfs/dbraw/zinc/24/32/13/393243213.db2.gz MLCMGBVARGFRFJ-IXYNUQLISA-N 2 2 252.446 3.274 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1CCSCC1)CCC2 ZINC000354482822 393245256 /nfs/dbraw/zinc/24/52/56/393245256.db2.gz UMMHHSMCVDGAMR-DZGCQCFKSA-N 2 2 293.480 3.190 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308483 393294235 /nfs/dbraw/zinc/29/42/35/393294235.db2.gz RDRVPFOFXFXNLK-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)s1 ZINC000275308483 393294243 /nfs/dbraw/zinc/29/42/43/393294243.db2.gz RDRVPFOFXFXNLK-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)s1 ZINC000275308483 393294248 /nfs/dbraw/zinc/29/42/48/393294248.db2.gz RDRVPFOFXFXNLK-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)s1 ZINC000275308483 393294254 /nfs/dbraw/zinc/29/42/54/393294254.db2.gz RDRVPFOFXFXNLK-ZYHUDNBSSA-N 2 2 272.845 3.174 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000278261904 393317289 /nfs/dbraw/zinc/31/72/89/393317289.db2.gz NTLNXBXCRBEXLL-SJORKVTESA-N 2 2 269.392 3.357 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000355475966 393328772 /nfs/dbraw/zinc/32/87/72/393328772.db2.gz SLYRNLBNGFXPCE-MRAWALMUSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000355475966 393328777 /nfs/dbraw/zinc/32/87/77/393328777.db2.gz SLYRNLBNGFXPCE-MRAWALMUSA-N 2 2 288.410 3.418 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272349264 393261320 /nfs/dbraw/zinc/26/13/20/393261320.db2.gz XXKAMYKEUZMTMW-RDJZCZTQSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H](Nc1cccc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272349264 393261329 /nfs/dbraw/zinc/26/13/29/393261329.db2.gz XXKAMYKEUZMTMW-RDJZCZTQSA-N 2 2 281.403 3.404 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)F ZINC000647225829 393397083 /nfs/dbraw/zinc/39/70/83/393397083.db2.gz DIAGBQZPCHKIPH-DZKIICNBSA-N 2 2 296.405 3.388 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(F)F ZINC000647225829 393397089 /nfs/dbraw/zinc/39/70/89/393397089.db2.gz DIAGBQZPCHKIPH-DZKIICNBSA-N 2 2 296.405 3.388 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](C)CC(F)F)n2c1 ZINC000647225839 393397616 /nfs/dbraw/zinc/39/76/16/393397616.db2.gz DOKZDSSXAISNEQ-NSHDSACASA-N 2 2 267.323 3.024 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000474157926 393339839 /nfs/dbraw/zinc/33/98/39/393339839.db2.gz YJMNJWGSZIUFAP-AWEZNQCLSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000474157926 393339845 /nfs/dbraw/zinc/33/98/45/393339845.db2.gz YJMNJWGSZIUFAP-AWEZNQCLSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000474157926 393339849 /nfs/dbraw/zinc/33/98/49/393339849.db2.gz YJMNJWGSZIUFAP-AWEZNQCLSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000474157926 393339854 /nfs/dbraw/zinc/33/98/54/393339854.db2.gz YJMNJWGSZIUFAP-AWEZNQCLSA-N 2 2 278.415 3.162 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(SC)s2)CC1 ZINC000356082392 393355192 /nfs/dbraw/zinc/35/51/92/393355192.db2.gz HLUJUQACQKCVJZ-UHFFFAOYSA-N 2 2 284.494 3.386 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(SC)s2)CC1 ZINC000356082392 393355197 /nfs/dbraw/zinc/35/51/97/393355197.db2.gz HLUJUQACQKCVJZ-UHFFFAOYSA-N 2 2 284.494 3.386 20 0 CGADLP CC[C@H]1C[N@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1[NH3+] ZINC000649416521 393417153 /nfs/dbraw/zinc/41/71/53/393417153.db2.gz CRENCCUHDNDODF-WFASDCNBSA-N 2 2 293.480 3.360 20 0 CGADLP CC[C@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@@H]1[NH3+] ZINC000649416521 393417155 /nfs/dbraw/zinc/41/71/55/393417155.db2.gz CRENCCUHDNDODF-WFASDCNBSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000420381189 393480203 /nfs/dbraw/zinc/48/02/03/393480203.db2.gz YZOADQVCZRFQOX-NWJSVONSSA-N 2 2 266.816 3.377 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420386305 393480338 /nfs/dbraw/zinc/48/03/38/393480338.db2.gz IBHXSTYQJCOUIR-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420386305 393480345 /nfs/dbraw/zinc/48/03/45/393480345.db2.gz IBHXSTYQJCOUIR-PKOBYXMFSA-N 2 2 298.405 3.185 20 0 CGADLP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649437214 393428944 /nfs/dbraw/zinc/42/89/44/393428944.db2.gz HZUJZVKXTPQCGS-MRXNPFEDSA-N 2 2 269.392 3.462 20 0 CGADLP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC000649437214 393428949 /nfs/dbraw/zinc/42/89/49/393428949.db2.gz HZUJZVKXTPQCGS-MRXNPFEDSA-N 2 2 269.392 3.462 20 0 CGADLP CC(C)c1nc(N2C[C@@H](C[NH3+])C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000420215027 393438837 /nfs/dbraw/zinc/43/88/37/393438837.db2.gz JPWKRYHBHXDRLF-QWHCGFSZSA-N 2 2 290.455 3.071 20 0 CGADLP [NH3+][C@H]1CCC[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000420275865 393446960 /nfs/dbraw/zinc/44/69/60/393446960.db2.gz HECSWKCVEHDYFT-FZMZJTMJSA-N 2 2 273.355 3.303 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359963 393474662 /nfs/dbraw/zinc/47/46/62/393474662.db2.gz LIMRRRWYKZYXDD-UWVGGRQHSA-N 2 2 291.222 3.040 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000420359963 393474665 /nfs/dbraw/zinc/47/46/65/393474665.db2.gz LIMRRRWYKZYXDD-UWVGGRQHSA-N 2 2 291.222 3.040 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1nc2ccccc2s1)C1CCCCC1 ZINC000420360708 393475198 /nfs/dbraw/zinc/47/51/98/393475198.db2.gz HJBUDTUCYVTMIJ-CQSZACIVSA-N 2 2 289.448 3.294 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000356288728 393409227 /nfs/dbraw/zinc/40/92/27/393409227.db2.gz WTXQMOUJMMIUHD-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000356288728 393409230 /nfs/dbraw/zinc/40/92/30/393409230.db2.gz WTXQMOUJMMIUHD-UHFFFAOYSA-N 2 2 269.392 3.065 20 0 CGADLP CCCc1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420409549 393484748 /nfs/dbraw/zinc/48/47/48/393484748.db2.gz XHPXEQIWJLFOGU-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP CCCc1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420409549 393484752 /nfs/dbraw/zinc/48/47/52/393484752.db2.gz XHPXEQIWJLFOGU-HIFRSBDPSA-N 2 2 293.480 3.060 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000488373996 393497947 /nfs/dbraw/zinc/49/79/47/393497947.db2.gz XUOXNHUSUJHLDW-HYVNUMGLSA-N 2 2 260.425 3.315 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000488447235 393516669 /nfs/dbraw/zinc/51/66/69/393516669.db2.gz ZVYNGDNFMMISMY-KBAYOESNSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000488447235 393516676 /nfs/dbraw/zinc/51/66/76/393516676.db2.gz ZVYNGDNFMMISMY-KBAYOESNSA-N 2 2 272.436 3.287 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000358150368 393519868 /nfs/dbraw/zinc/51/98/68/393519868.db2.gz ZZCBKYBRCAESMB-UHFFFAOYSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000358150368 393519875 /nfs/dbraw/zinc/51/98/75/393519875.db2.gz ZZCBKYBRCAESMB-UHFFFAOYSA-N 2 2 250.430 3.197 20 0 CGADLP CCOC1(C)CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000430085854 393519917 /nfs/dbraw/zinc/51/99/17/393519917.db2.gz CEROKDGPZCFSJY-UHFFFAOYSA-N 2 2 276.424 3.214 20 0 CGADLP CCCc1nc(C)c(C[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000430153414 393530361 /nfs/dbraw/zinc/53/03/61/393530361.db2.gz VOSOXLJUPNYUSL-UHFFFAOYSA-N 2 2 287.407 3.361 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H]1C[C@H]1C)[NH+](C)C ZINC000488558242 393537916 /nfs/dbraw/zinc/53/79/16/393537916.db2.gz MKKQUFBUZGGEEM-DLTWYDFYSA-N 2 2 260.425 3.232 20 0 CGADLP CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649716971 393553989 /nfs/dbraw/zinc/55/39/89/393553989.db2.gz RRZAMBHZAOTKKZ-INIZCTEOSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649716971 393553997 /nfs/dbraw/zinc/55/39/97/393553997.db2.gz RRZAMBHZAOTKKZ-INIZCTEOSA-N 2 2 299.418 3.262 20 0 CGADLP C[C@@H]1C[C@@H](C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966736 393567844 /nfs/dbraw/zinc/56/78/44/393567844.db2.gz ANOPLUWUHWDPRK-SJORKVTESA-N 2 2 296.499 3.388 20 0 CGADLP C[C@@H]1C[C@@H](C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966736 393567846 /nfs/dbraw/zinc/56/78/46/393567846.db2.gz ANOPLUWUHWDPRK-SJORKVTESA-N 2 2 296.499 3.388 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000360155457 393560933 /nfs/dbraw/zinc/56/09/33/393560933.db2.gz ZRACYQDCUBSQJV-TUKIKUTGSA-N 2 2 276.424 3.141 20 0 CGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000360155457 393560937 /nfs/dbraw/zinc/56/09/37/393560937.db2.gz ZRACYQDCUBSQJV-TUKIKUTGSA-N 2 2 276.424 3.141 20 0 CGADLP C[NH2+]CCC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000666805861 542817301 /nfs/dbraw/zinc/81/73/01/542817301.db2.gz VJDUZZQSJLOIRJ-UHFFFAOYSA-N 2 2 281.614 3.346 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)Cn1cc[nH+]c1 ZINC000421326046 393605333 /nfs/dbraw/zinc/60/53/33/393605333.db2.gz NAMHLLHLCDJCPV-AWEZNQCLSA-N 2 2 269.392 3.186 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000430586378 393578412 /nfs/dbraw/zinc/57/84/12/393578412.db2.gz WHBDBUOQHJHDGG-LBPRGKRZSA-N 2 2 293.436 3.208 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000430586378 393578418 /nfs/dbraw/zinc/57/84/18/393578418.db2.gz WHBDBUOQHJHDGG-LBPRGKRZSA-N 2 2 293.436 3.208 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000360896602 393610458 /nfs/dbraw/zinc/61/04/58/393610458.db2.gz HQCBEZIDCRIMOI-HYVNUMGLSA-N 2 2 290.451 3.466 20 0 CGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000360896602 393610462 /nfs/dbraw/zinc/61/04/62/393610462.db2.gz HQCBEZIDCRIMOI-HYVNUMGLSA-N 2 2 290.451 3.466 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000360986026 393630092 /nfs/dbraw/zinc/63/00/92/393630092.db2.gz JBBDYVFFHZGUAD-QAPCUYQASA-N 2 2 288.435 3.234 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000360986026 393630094 /nfs/dbraw/zinc/63/00/94/393630094.db2.gz JBBDYVFFHZGUAD-QAPCUYQASA-N 2 2 288.435 3.234 20 0 CGADLP CC(C)Oc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422722726 393640328 /nfs/dbraw/zinc/64/03/28/393640328.db2.gz YRMGSVYWJOEWQN-GDBMZVCRSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423151870 393651873 /nfs/dbraw/zinc/65/18/73/393651873.db2.gz DCGFDNSCWFTOAK-OCVGTWLNSA-N 2 2 274.408 3.019 20 0 CGADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423275338 393657788 /nfs/dbraw/zinc/65/77/88/393657788.db2.gz LRTXRMVMBPHAOI-CHWSQXEVSA-N 2 2 284.350 3.066 20 0 CGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423267512 393657915 /nfs/dbraw/zinc/65/79/15/393657915.db2.gz TVZPRSPCFMGDAX-FZMZJTMJSA-N 2 2 282.428 3.326 20 0 CGADLP Cc1[nH+]ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1Cl ZINC000361073684 393666382 /nfs/dbraw/zinc/66/63/82/393666382.db2.gz PVECPYGQCZNAHF-UHFFFAOYSA-N 2 2 298.777 3.468 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423433930 393666539 /nfs/dbraw/zinc/66/65/39/393666539.db2.gz COHKXTUUJLVHJA-UBJUHAIHSA-N 2 2 273.207 3.306 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@@H+]1C ZINC000491214743 393673321 /nfs/dbraw/zinc/67/33/21/393673321.db2.gz ZJPVSKYFEMIQCC-KSSFIOAISA-N 2 2 272.436 3.138 20 0 CGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)CCC[N@H+]1C ZINC000491214743 393673323 /nfs/dbraw/zinc/67/33/23/393673323.db2.gz ZJPVSKYFEMIQCC-KSSFIOAISA-N 2 2 272.436 3.138 20 0 CGADLP CC[C@H](COC)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201183 393748769 /nfs/dbraw/zinc/74/87/69/393748769.db2.gz VEJYTPZCMGOVAW-INMHGKMJSA-N 2 2 278.440 3.001 20 0 CGADLP c1cc2[nH+]ccc(NCCc3cn4c([nH+]3)CCCC4)c2s1 ZINC000443426260 393756507 /nfs/dbraw/zinc/75/65/07/393756507.db2.gz CRJAJQITULZPLQ-UHFFFAOYSA-N 2 2 298.415 3.484 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000425320236 393692626 /nfs/dbraw/zinc/69/26/26/393692626.db2.gz CJFSFJLWXIXXIK-PJPHBNEVSA-N 2 2 273.424 3.475 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000425320236 393692628 /nfs/dbraw/zinc/69/26/28/393692628.db2.gz CJFSFJLWXIXXIK-PJPHBNEVSA-N 2 2 273.424 3.475 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434783906 393714204 /nfs/dbraw/zinc/71/42/04/393714204.db2.gz BWVNMWDREMFIDK-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434783906 393714208 /nfs/dbraw/zinc/71/42/08/393714208.db2.gz BWVNMWDREMFIDK-IJEWVQPXSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1C[C@@]1([NH2+]CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000502594669 393881107 /nfs/dbraw/zinc/88/11/07/393881107.db2.gz VKYOOJNQBFPWNP-AEFFLSMTSA-N 2 2 283.419 3.497 20 0 CGADLP CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502907036 393888157 /nfs/dbraw/zinc/88/81/57/393888157.db2.gz KWYONTXMTSPCOX-ROUUACIJSA-N 2 2 296.499 3.247 20 0 CGADLP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502907036 393888158 /nfs/dbraw/zinc/88/81/58/393888158.db2.gz KWYONTXMTSPCOX-ROUUACIJSA-N 2 2 296.499 3.247 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c[nH+]1 ZINC000449540304 393890236 /nfs/dbraw/zinc/89/02/36/393890236.db2.gz MPQBKAJTQXMIHP-QZTJIDSGSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c[nH+]1 ZINC000449540304 393890238 /nfs/dbraw/zinc/89/02/38/393890238.db2.gz MPQBKAJTQXMIHP-QZTJIDSGSA-N 2 2 270.420 3.443 20 0 CGADLP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449550693 393897186 /nfs/dbraw/zinc/89/71/86/393897186.db2.gz BWMMAYPMHYVULP-JSGCOSHPSA-N 2 2 292.389 3.285 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCOCC23CCCCC3)c[nH+]1 ZINC000449623683 393924603 /nfs/dbraw/zinc/92/46/03/393924603.db2.gz KIPWJOVCBFBFIG-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCOCC23CCCCC3)c[nH+]1 ZINC000449623683 393924606 /nfs/dbraw/zinc/92/46/06/393924606.db2.gz KIPWJOVCBFBFIG-UHFFFAOYSA-N 2 2 288.435 3.358 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450755957 394034926 /nfs/dbraw/zinc/03/49/26/394034926.db2.gz BJKBSZJNHVSXCR-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450755957 394034932 /nfs/dbraw/zinc/03/49/32/394034932.db2.gz BJKBSZJNHVSXCR-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450755957 394034935 /nfs/dbraw/zinc/03/49/35/394034935.db2.gz BJKBSZJNHVSXCR-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP CC[C@@H]1[C@@H](C)CC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450755957 394034939 /nfs/dbraw/zinc/03/49/39/394034939.db2.gz BJKBSZJNHVSXCR-ARFHVFGLSA-N 2 2 252.446 3.370 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000453059289 394156039 /nfs/dbraw/zinc/15/60/39/394156039.db2.gz MLSZIXHTVKSRKA-IRXDYDNUSA-N 2 2 289.467 3.114 20 0 CGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000453059289 394156043 /nfs/dbraw/zinc/15/60/43/394156043.db2.gz MLSZIXHTVKSRKA-IRXDYDNUSA-N 2 2 289.467 3.114 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCCc1cccnc1)[NH+](C)C ZINC000453090518 394167999 /nfs/dbraw/zinc/16/79/99/394167999.db2.gz RLPJDXKSPSPJHM-AEFFLSMTSA-N 2 2 291.483 3.359 20 0 CGADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453613839 394259131 /nfs/dbraw/zinc/25/91/31/394259131.db2.gz PDYXPTQIPBUNKI-GDBMZVCRSA-N 2 2 257.381 3.249 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000453145083 394187223 /nfs/dbraw/zinc/18/72/23/394187223.db2.gz REYMJLBWNLXLSP-UHOFOFEASA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000453145083 394187227 /nfs/dbraw/zinc/18/72/27/394187227.db2.gz REYMJLBWNLXLSP-UHOFOFEASA-N 2 2 250.430 3.028 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)n1C ZINC000667590575 542895177 /nfs/dbraw/zinc/89/51/77/542895177.db2.gz ZIWVLKGAGPILTG-QGZVFWFLSA-N 2 2 283.419 3.244 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2ccc(C)cc2)n1C ZINC000667590575 542895178 /nfs/dbraw/zinc/89/51/78/542895178.db2.gz ZIWVLKGAGPILTG-QGZVFWFLSA-N 2 2 283.419 3.244 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc4ccncc4s3)C2)[nH]1 ZINC000667533200 542885958 /nfs/dbraw/zinc/88/59/58/542885958.db2.gz JQOHXCUHBXDXMB-CYBMUJFWSA-N 2 2 298.415 3.399 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc4ccncc4s3)C2)[nH]1 ZINC000667533200 542885959 /nfs/dbraw/zinc/88/59/59/542885959.db2.gz JQOHXCUHBXDXMB-CYBMUJFWSA-N 2 2 298.415 3.399 20 0 CGADLP c1[nH+]c2n(c1C[NH+]1CCC(C3CCCC3)CC1)CCC2 ZINC000667676223 542913891 /nfs/dbraw/zinc/91/38/91/542913891.db2.gz JWDAGBCWEGBDLO-UHFFFAOYSA-N 2 2 273.424 3.232 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000668169014 542979786 /nfs/dbraw/zinc/97/97/86/542979786.db2.gz GBUMFOPIWDUHIP-ZDUSSCGKSA-N 2 2 298.415 3.019 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000668169014 542979788 /nfs/dbraw/zinc/97/97/88/542979788.db2.gz GBUMFOPIWDUHIP-ZDUSSCGKSA-N 2 2 298.415 3.019 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc21 ZINC000668172984 542980933 /nfs/dbraw/zinc/98/09/33/542980933.db2.gz YULPCONRDQVFNS-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc21 ZINC000668172984 542980934 /nfs/dbraw/zinc/98/09/34/542980934.db2.gz YULPCONRDQVFNS-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc21 ZINC000668172984 542980936 /nfs/dbraw/zinc/98/09/36/542980936.db2.gz YULPCONRDQVFNS-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc21 ZINC000668172984 542980938 /nfs/dbraw/zinc/98/09/38/542980938.db2.gz YULPCONRDQVFNS-BEFAXECRSA-N 2 2 297.446 3.392 20 0 CGADLP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3c[nH+]c(C)n3C)C2)c1 ZINC000668227494 542993897 /nfs/dbraw/zinc/99/38/97/542993897.db2.gz LSYUXDADTQINBO-WKILWMFISA-N 2 2 299.418 3.115 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)n1C ZINC000668246039 542998667 /nfs/dbraw/zinc/99/86/67/542998667.db2.gz SZPQDTMRBIJGQF-QGZVFWFLSA-N 2 2 283.419 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)n1C ZINC000668246039 542998669 /nfs/dbraw/zinc/99/86/69/542998669.db2.gz SZPQDTMRBIJGQF-QGZVFWFLSA-N 2 2 283.419 3.497 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423369939 285622628 /nfs/dbraw/zinc/62/26/28/285622628.db2.gz CTIQTXMKSKBQJO-RISCZKNCSA-N 2 2 282.815 3.141 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCCC3(CCCC3)CC1)CCC2 ZINC000668477745 543018668 /nfs/dbraw/zinc/01/86/68/543018668.db2.gz GHJMYEDQHXSTAC-UHFFFAOYSA-N 2 2 273.424 3.376 20 0 CGADLP CC(C)c1[nH+]c(CN[C@@H](C)c2[nH+]ccn2C)c2ccccn21 ZINC000668747659 543055355 /nfs/dbraw/zinc/05/53/55/543055355.db2.gz IUEGZVOCHXCKGV-ZDUSSCGKSA-N 2 2 297.406 3.042 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c[nH+]1 ZINC000668787925 543061693 /nfs/dbraw/zinc/06/16/93/543061693.db2.gz FLYXEKAEJNXCHN-CRAIPNDOSA-N 2 2 284.403 3.034 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262652 543146183 /nfs/dbraw/zinc/14/61/83/543146183.db2.gz WTDJSDYLEYEWTA-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000670262652 543146185 /nfs/dbraw/zinc/14/61/85/543146185.db2.gz WTDJSDYLEYEWTA-HUUCEWRRSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000675284858 543324655 /nfs/dbraw/zinc/32/46/55/543324655.db2.gz CGVRSWPUNHIYJS-UHFFFAOYSA-N 2 2 295.430 3.411 20 0 CGADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000675284858 543324657 /nfs/dbraw/zinc/32/46/57/543324657.db2.gz CGVRSWPUNHIYJS-UHFFFAOYSA-N 2 2 295.430 3.411 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000675766845 543362508 /nfs/dbraw/zinc/36/25/08/543362508.db2.gz PUQDNEJDQBFPAW-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000675766845 543362510 /nfs/dbraw/zinc/36/25/10/543362510.db2.gz PUQDNEJDQBFPAW-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP Clc1cccc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000675731668 543358444 /nfs/dbraw/zinc/35/84/44/543358444.db2.gz NBDVWVQKZWDNLS-HNNXBMFYSA-N 2 2 264.800 3.013 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000675743916 543359956 /nfs/dbraw/zinc/35/99/56/543359956.db2.gz VBHWULFNCQZMKN-INIZCTEOSA-N 2 2 294.483 3.190 20 0 CGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000676414845 543397055 /nfs/dbraw/zinc/39/70/55/543397055.db2.gz KMXRFTLPDWDTSH-LLVKDONJSA-N 2 2 272.845 3.221 20 0 CGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000676414845 543397057 /nfs/dbraw/zinc/39/70/57/543397057.db2.gz KMXRFTLPDWDTSH-LLVKDONJSA-N 2 2 272.845 3.221 20 0 CGADLP CC(C)C[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000552625346 289194492 /nfs/dbraw/zinc/19/44/92/289194492.db2.gz KUXPNZCGCUSAMY-XHSDSOJGSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000552625346 289194493 /nfs/dbraw/zinc/19/44/93/289194493.db2.gz KUXPNZCGCUSAMY-XHSDSOJGSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000552625346 289194494 /nfs/dbraw/zinc/19/44/94/289194494.db2.gz KUXPNZCGCUSAMY-XHSDSOJGSA-N 2 2 252.446 3.368 20 0 CGADLP CC(C)C[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000552625346 289194496 /nfs/dbraw/zinc/19/44/96/289194496.db2.gz KUXPNZCGCUSAMY-XHSDSOJGSA-N 2 2 252.446 3.368 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[N@@H+]1C ZINC000677130545 543435180 /nfs/dbraw/zinc/43/51/80/543435180.db2.gz LCYCRPAPMSOMCV-SIVJFFJCSA-N 2 2 280.362 3.024 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC[N@H+]1C ZINC000677130545 543435183 /nfs/dbraw/zinc/43/51/83/543435183.db2.gz LCYCRPAPMSOMCV-SIVJFFJCSA-N 2 2 280.362 3.024 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000677152721 543437654 /nfs/dbraw/zinc/43/76/54/543437654.db2.gz JUGJNGBWPUHGPY-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C[C@H]1C ZINC000677152721 543437656 /nfs/dbraw/zinc/43/76/56/543437656.db2.gz JUGJNGBWPUHGPY-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000677752077 543463849 /nfs/dbraw/zinc/46/38/49/543463849.db2.gz JFCWGKCFKAUNJP-INIZCTEOSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677752077 543463851 /nfs/dbraw/zinc/46/38/51/543463851.db2.gz JFCWGKCFKAUNJP-INIZCTEOSA-N 2 2 294.389 3.428 20 0 CGADLP c1cc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2cn1 ZINC000267969018 296610084 /nfs/dbraw/zinc/61/00/84/296610084.db2.gz MLCSBWBSEHMZFS-OAHLLOKOSA-N 2 2 296.418 3.085 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)n1 ZINC000678426623 543525439 /nfs/dbraw/zinc/52/54/39/543525439.db2.gz GPBRBLKDCKSBAS-AWEZNQCLSA-N 2 2 284.407 3.246 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000678607337 543545328 /nfs/dbraw/zinc/54/53/28/543545328.db2.gz IWGNAHCMEVGJBX-KRWDZBQOSA-N 2 2 288.341 3.488 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000354350603 286150068 /nfs/dbraw/zinc/15/00/68/286150068.db2.gz FPUJUBSWRGTOGK-NCOADZHNSA-N 2 2 282.472 3.044 20 0 CGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000354574740 286150530 /nfs/dbraw/zinc/15/05/30/286150530.db2.gz OSGVNDOKIPFBDA-OKZBNKHCSA-N 2 2 290.451 3.084 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000554091131 289257610 /nfs/dbraw/zinc/25/76/10/289257610.db2.gz CLIGEMXPBZDZMW-GJZGRUSLSA-N 2 2 266.816 3.127 20 0 CGADLP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507473947 286804137 /nfs/dbraw/zinc/80/41/37/286804137.db2.gz WOPSHAKQHWLZPL-NEPJUHHUSA-N 2 2 280.378 3.427 20 0 CGADLP Cc1nc(C)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000075860656 287029563 /nfs/dbraw/zinc/02/95/63/287029563.db2.gz JXUPHHDHOVJSSM-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)s1 ZINC000075860656 287029566 /nfs/dbraw/zinc/02/95/66/287029566.db2.gz JXUPHHDHOVJSSM-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000075860656 287029567 /nfs/dbraw/zinc/02/95/67/287029567.db2.gz JXUPHHDHOVJSSM-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP Cc1nc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000075860656 287029568 /nfs/dbraw/zinc/02/95/68/287029568.db2.gz JXUPHHDHOVJSSM-AWEZNQCLSA-N 2 2 281.469 3.066 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423151869 287061812 /nfs/dbraw/zinc/06/18/12/287061812.db2.gz DCGFDNSCWFTOAK-LUYZLQTOSA-N 2 2 274.408 3.019 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000063511302 165029146 /nfs/dbraw/zinc/02/91/46/165029146.db2.gz MIHQXJRKQYZGFF-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000063511302 165029148 /nfs/dbraw/zinc/02/91/48/165029148.db2.gz MIHQXJRKQYZGFF-UHFFFAOYSA-N 2 2 283.485 3.261 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC000072859124 165073610 /nfs/dbraw/zinc/07/36/10/165073610.db2.gz TXWAPUNXBJCZEY-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC000072859124 165073613 /nfs/dbraw/zinc/07/36/13/165073613.db2.gz TXWAPUNXBJCZEY-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000072859124 165073616 /nfs/dbraw/zinc/07/36/16/165073616.db2.gz TXWAPUNXBJCZEY-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000072859124 165073619 /nfs/dbraw/zinc/07/36/19/165073619.db2.gz TXWAPUNXBJCZEY-AWEZNQCLSA-N 2 2 266.816 3.114 20 0 CGADLP Clc1ncccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835044 165106226 /nfs/dbraw/zinc/10/62/26/165106226.db2.gz KDYWVSOBLOJDBL-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP Clc1ncccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835044 165106227 /nfs/dbraw/zinc/10/62/27/165106227.db2.gz KDYWVSOBLOJDBL-CQSZACIVSA-N 2 2 293.842 3.043 20 0 CGADLP CC(C)[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081044181 165161829 /nfs/dbraw/zinc/16/18/29/165161829.db2.gz VDQNUWYJNWINRT-CQSZACIVSA-N 2 2 257.381 3.254 20 0 CGADLP Clc1ccccc1C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000091857291 165274713 /nfs/dbraw/zinc/27/47/13/165274713.db2.gz XCWAEEZSYSCEIJ-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP Clc1ccccc1C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000091857291 165274724 /nfs/dbraw/zinc/27/47/24/165274724.db2.gz XCWAEEZSYSCEIJ-UHFFFAOYSA-N 2 2 287.794 3.326 20 0 CGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000092648620 165307116 /nfs/dbraw/zinc/30/71/16/165307116.db2.gz MXRFNPNXYRVSGJ-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Br ZINC000093465478 165330115 /nfs/dbraw/zinc/33/01/15/165330115.db2.gz RJELQCQNHVBHDR-DGCLKSJQSA-N 2 2 297.240 3.069 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC000097929396 165405440 /nfs/dbraw/zinc/40/54/40/165405440.db2.gz KUCGRKMKEUFRDT-KBPBESRZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000123206790 287217085 /nfs/dbraw/zinc/21/70/85/287217085.db2.gz SSSUDFRHTNJELR-CQSZACIVSA-N 2 2 272.392 3.315 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000123206790 287217087 /nfs/dbraw/zinc/21/70/87/287217087.db2.gz SSSUDFRHTNJELR-CQSZACIVSA-N 2 2 272.392 3.315 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128793 171016551 /nfs/dbraw/zinc/01/65/51/171016551.db2.gz LUYLLCNHRAWCSW-CQSZACIVSA-N 2 2 250.386 3.115 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000020190063 171057059 /nfs/dbraw/zinc/05/70/59/171057059.db2.gz RHKRUGQPRLFSBU-UHFFFAOYSA-N 2 2 272.392 3.397 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506138 171228329 /nfs/dbraw/zinc/22/83/29/171228329.db2.gz JZGWBVOKABYYGW-CQSZACIVSA-N 2 2 257.381 3.186 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000021023009 171290812 /nfs/dbraw/zinc/29/08/12/171290812.db2.gz SRBRKPABVSBWOQ-OAHLLOKOSA-N 2 2 260.425 3.386 20 0 CGADLP C[N@H+](CCCNc1cccc[nH+]1)Cc1ccccc1 ZINC000021031973 171291800 /nfs/dbraw/zinc/29/18/00/171291800.db2.gz BKQLZVPYEVKMSA-UHFFFAOYSA-N 2 2 255.365 3.016 20 0 CGADLP C[N@@H+](CCCNc1cccc[nH+]1)Cc1ccccc1 ZINC000021031973 171291801 /nfs/dbraw/zinc/29/18/01/171291801.db2.gz BKQLZVPYEVKMSA-UHFFFAOYSA-N 2 2 255.365 3.016 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000035275482 172095133 /nfs/dbraw/zinc/09/51/33/172095133.db2.gz AEEKVYOGNQGFTQ-NFOMZHRRSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000037213690 173034602 /nfs/dbraw/zinc/03/46/02/173034602.db2.gz GDINIPHDPUNTEX-JTQLQIEISA-N 2 2 258.768 3.081 20 0 CGADLP Fc1cccc2c1SCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000037249383 173062326 /nfs/dbraw/zinc/06/23/26/173062326.db2.gz YVDPQINLDBSTFK-AWEZNQCLSA-N 2 2 291.395 3.239 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000037257489 173068451 /nfs/dbraw/zinc/06/84/51/173068451.db2.gz BXWSSVBFYPHDLU-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000037257489 173068453 /nfs/dbraw/zinc/06/84/53/173068453.db2.gz BXWSSVBFYPHDLU-QGZVFWFLSA-N 2 2 258.409 3.041 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000071142439 176040320 /nfs/dbraw/zinc/04/03/20/176040320.db2.gz DVSHCRKNXKJATH-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000071142439 176040321 /nfs/dbraw/zinc/04/03/21/176040321.db2.gz DVSHCRKNXKJATH-JTQLQIEISA-N 2 2 273.207 3.035 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128966431 287321862 /nfs/dbraw/zinc/32/18/62/287321862.db2.gz XQWNQQWVVJTVBJ-GDBMZVCRSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128966431 287321863 /nfs/dbraw/zinc/32/18/63/287321863.db2.gz XQWNQQWVVJTVBJ-GDBMZVCRSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C[N@@H+]1C1CC1 ZINC000128966004 287321914 /nfs/dbraw/zinc/32/19/14/287321914.db2.gz XQWNQQWVVJTVBJ-ZBFHGGJFSA-N 2 2 272.436 3.179 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccccc2)C[N@H+]1C1CC1 ZINC000128966004 287321918 /nfs/dbraw/zinc/32/19/18/287321918.db2.gz XQWNQQWVVJTVBJ-ZBFHGGJFSA-N 2 2 272.436 3.179 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364814 543629908 /nfs/dbraw/zinc/62/99/08/543629908.db2.gz OOCTXJWFMDSZIA-CRAIPNDOSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364814 543629912 /nfs/dbraw/zinc/62/99/12/543629912.db2.gz OOCTXJWFMDSZIA-CRAIPNDOSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364814 543629919 /nfs/dbraw/zinc/62/99/19/543629919.db2.gz OOCTXJWFMDSZIA-CRAIPNDOSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3C3CC3)[C@@H]2C1 ZINC000679364814 543629922 /nfs/dbraw/zinc/62/99/22/543629922.db2.gz OOCTXJWFMDSZIA-CRAIPNDOSA-N 2 2 270.420 3.090 20 0 CGADLP c1ccc([C@@H]2CC[C@@H]([NH2+]CC[NH+]3CCCCC3)C2)cc1 ZINC000130410127 287354382 /nfs/dbraw/zinc/35/43/82/287354382.db2.gz TYGPHNDRIDRHHX-QZTJIDSGSA-N 2 2 272.436 3.398 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154185 543830004 /nfs/dbraw/zinc/83/00/04/543830004.db2.gz YNZFYQGEQXOQDV-YOEHRIQHSA-N 2 2 287.382 3.463 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000682154185 543830007 /nfs/dbraw/zinc/83/00/07/543830007.db2.gz YNZFYQGEQXOQDV-YOEHRIQHSA-N 2 2 287.382 3.463 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683521178 543919299 /nfs/dbraw/zinc/91/92/99/543919299.db2.gz FRQQLDHDADQQKJ-SFHVURJKSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683521178 543919301 /nfs/dbraw/zinc/91/93/01/543919301.db2.gz FRQQLDHDADQQKJ-SFHVURJKSA-N 2 2 274.452 3.254 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000683705276 543933898 /nfs/dbraw/zinc/93/38/98/543933898.db2.gz PLAIYPWUTUQYRZ-CRAIPNDOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000683705276 543933901 /nfs/dbraw/zinc/93/39/01/543933901.db2.gz PLAIYPWUTUQYRZ-CRAIPNDOSA-N 2 2 272.436 3.254 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)c[nH+]1 ZINC000683829797 543945783 /nfs/dbraw/zinc/94/57/83/543945783.db2.gz LLCQTXRTLKHMTM-CYBMUJFWSA-N 2 2 288.420 3.054 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)c[nH+]1 ZINC000683829797 543945786 /nfs/dbraw/zinc/94/57/86/543945786.db2.gz LLCQTXRTLKHMTM-CYBMUJFWSA-N 2 2 288.420 3.054 20 0 CGADLP c1c(C[NH2+]CCc2cn3ccccc3[nH+]2)[nH]c2ccccc12 ZINC000683926983 543954433 /nfs/dbraw/zinc/95/44/33/543954433.db2.gz FEGUBERABNYJLB-UHFFFAOYSA-N 2 2 290.370 3.148 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683928219 543954864 /nfs/dbraw/zinc/95/48/64/543954864.db2.gz KBYAPRKOHCRPBL-UHFFFAOYSA-N 2 2 265.360 3.204 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000685410091 544064577 /nfs/dbraw/zinc/06/45/77/544064577.db2.gz CDUYNUKDEKYSCK-SNAWJCMRSA-N 2 2 294.389 3.394 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000685410091 544064580 /nfs/dbraw/zinc/06/45/80/544064580.db2.gz CDUYNUKDEKYSCK-SNAWJCMRSA-N 2 2 294.389 3.394 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470735 544077477 /nfs/dbraw/zinc/07/74/77/544077477.db2.gz NHKXJVNYBKZXBU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470735 544077480 /nfs/dbraw/zinc/07/74/80/544077480.db2.gz NHKXJVNYBKZXBU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470735 544077481 /nfs/dbraw/zinc/07/74/81/544077481.db2.gz NHKXJVNYBKZXBU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)c(F)c2)C1 ZINC000685470735 544077483 /nfs/dbraw/zinc/07/74/83/544077483.db2.gz NHKXJVNYBKZXBU-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000685579455 544086290 /nfs/dbraw/zinc/08/62/90/544086290.db2.gz JYKXQJPCHCMOEP-OAHLLOKOSA-N 2 2 297.402 3.389 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133973760 287432999 /nfs/dbraw/zinc/43/29/99/287432999.db2.gz JUZPHMZHRTYEEI-DOTOQJQBSA-N 2 2 283.419 3.459 20 0 CGADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000652222436 418937273 /nfs/dbraw/zinc/93/72/73/418937273.db2.gz ORQPXHOWWQQQRS-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000652222436 418937275 /nfs/dbraw/zinc/93/72/75/418937275.db2.gz ORQPXHOWWQQQRS-ZDUSSCGKSA-N 2 2 283.847 3.364 20 0 CGADLP C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1)C1CCC1 ZINC000659873048 419023833 /nfs/dbraw/zinc/02/38/33/419023833.db2.gz JKKAARWSJYWDJC-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP C(C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1)C1CCC1 ZINC000659873048 419023835 /nfs/dbraw/zinc/02/38/35/419023835.db2.gz JKKAARWSJYWDJC-INIZCTEOSA-N 2 2 250.430 3.127 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](Cc3nsc4ccccc43)C2)c[nH+]1 ZINC000659881969 419028480 /nfs/dbraw/zinc/02/84/80/419028480.db2.gz CFTPFADXQCRLKO-CYBMUJFWSA-N 2 2 298.415 3.330 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](Cc3nsc4ccccc43)C2)c[nH+]1 ZINC000659881969 419028481 /nfs/dbraw/zinc/02/84/81/419028481.db2.gz CFTPFADXQCRLKO-CYBMUJFWSA-N 2 2 298.415 3.330 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253272 419093927 /nfs/dbraw/zinc/09/39/27/419093927.db2.gz MFBJEWSIEZJQDK-APHBMKBZSA-N 2 2 264.388 3.049 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252310 419093969 /nfs/dbraw/zinc/09/39/69/419093969.db2.gz MLSMCNKSMHTPPN-AXAPSJFSSA-N 2 2 282.378 3.189 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000653873863 419100068 /nfs/dbraw/zinc/10/00/68/419100068.db2.gz XBCPBHCWFOOTMM-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000653873863 419100072 /nfs/dbraw/zinc/10/00/72/419100072.db2.gz XBCPBHCWFOOTMM-QZTJIDSGSA-N 2 2 290.451 3.056 20 0 CGADLP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294134 419106449 /nfs/dbraw/zinc/10/64/49/419106449.db2.gz IUNUHVVKFKMAJY-SMDDNHRTSA-N 2 2 254.805 3.379 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000665295659 419109375 /nfs/dbraw/zinc/10/93/75/419109375.db2.gz HITOIIVZYXFPDF-IINYFYTJSA-N 2 2 297.240 3.098 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000655859408 419125144 /nfs/dbraw/zinc/12/51/44/419125144.db2.gz KEFFVBFAQNPQEB-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cs1 ZINC000655859408 419125147 /nfs/dbraw/zinc/12/51/47/419125147.db2.gz KEFFVBFAQNPQEB-CABCVRRESA-N 2 2 264.438 3.163 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655858926 419125184 /nfs/dbraw/zinc/12/51/84/419125184.db2.gz BOBYSTHNRKVAIK-CADBVGFASA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655858926 419125187 /nfs/dbraw/zinc/12/51/87/419125187.db2.gz BOBYSTHNRKVAIK-CADBVGFASA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848363 419118362 /nfs/dbraw/zinc/11/83/62/419118362.db2.gz IDIFACRSZAYOON-BZSNNMDCSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848363 419118364 /nfs/dbraw/zinc/11/83/64/419118364.db2.gz IDIFACRSZAYOON-BZSNNMDCSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000655847909 419118701 /nfs/dbraw/zinc/11/87/01/419118701.db2.gz FTQCYWVXDQYOBP-FHWLQOOXSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000655847909 419118703 /nfs/dbraw/zinc/11/87/03/419118703.db2.gz FTQCYWVXDQYOBP-FHWLQOOXSA-N 2 2 284.447 3.150 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000655848579 419119188 /nfs/dbraw/zinc/11/91/88/419119188.db2.gz IDEMITUPUXPLKD-NUEKZKHPSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000655848579 419119190 /nfs/dbraw/zinc/11/91/90/419119190.db2.gz IDEMITUPUXPLKD-NUEKZKHPSA-N 2 2 250.430 3.172 20 0 CGADLP C1CC[N@@H+]2CCC[C@@H]([NH2+]C3CCCCCC3)[C@H]2C1 ZINC000655847887 419119336 /nfs/dbraw/zinc/11/93/36/419119336.db2.gz DZUPNHOKVJJCCO-HZPDHXFCSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC[N@H+]2CCC[C@@H]([NH2+]C3CCCCCC3)[C@H]2C1 ZINC000655847887 419119340 /nfs/dbraw/zinc/11/93/40/419119340.db2.gz DZUPNHOKVJJCCO-HZPDHXFCSA-N 2 2 250.430 3.316 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849023 419120349 /nfs/dbraw/zinc/12/03/49/419120349.db2.gz OPLLEGLLDGMRLY-XHSDSOJGSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849023 419120353 /nfs/dbraw/zinc/12/03/53/419120353.db2.gz OPLLEGLLDGMRLY-XHSDSOJGSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655849874 419120381 /nfs/dbraw/zinc/12/03/81/419120381.db2.gz ZWPRKVDSDWIJMI-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP C1CC12CCC([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655849874 419120384 /nfs/dbraw/zinc/12/03/84/419120384.db2.gz ZWPRKVDSDWIJMI-HOTGVXAUSA-N 2 2 262.441 3.316 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)n1 ZINC000655849169 419120897 /nfs/dbraw/zinc/12/08/97/419120897.db2.gz PTPSPWDBCLOKAP-JQHSSLGASA-N 2 2 287.451 3.366 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)n1 ZINC000655849169 419120900 /nfs/dbraw/zinc/12/09/00/419120900.db2.gz PTPSPWDBCLOKAP-JQHSSLGASA-N 2 2 287.451 3.366 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655850842 419120981 /nfs/dbraw/zinc/12/09/81/419120981.db2.gz MSTAJGQWARQUSH-UONOGXRCSA-N 2 2 272.383 3.171 20 0 CGADLP FC1(F)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850842 419120985 /nfs/dbraw/zinc/12/09/85/419120985.db2.gz MSTAJGQWARQUSH-UONOGXRCSA-N 2 2 272.383 3.171 20 0 CGADLP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1Cl ZINC000659983345 419052060 /nfs/dbraw/zinc/05/20/60/419052060.db2.gz JXDYGWDBNASVHA-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1Cl ZINC000659983345 419052061 /nfs/dbraw/zinc/05/20/61/419052061.db2.gz JXDYGWDBNASVHA-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000659983345 419052066 /nfs/dbraw/zinc/05/20/66/419052066.db2.gz JXDYGWDBNASVHA-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Cl ZINC000659983345 419052069 /nfs/dbraw/zinc/05/20/69/419052069.db2.gz JXDYGWDBNASVHA-JSGCOSHPSA-N 2 2 296.842 3.263 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)CS1 ZINC000655684787 419064833 /nfs/dbraw/zinc/06/48/33/419064833.db2.gz XJZOLDIQKPWDEB-ZIAGYGMSSA-N 2 2 270.486 3.125 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CS1 ZINC000655690380 419066464 /nfs/dbraw/zinc/06/64/64/419066464.db2.gz NCQNDKIRISWWTC-KBMXLJTQSA-N 2 2 278.465 3.163 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+]1CCCC[C@H]1C ZINC000655689657 419066563 /nfs/dbraw/zinc/06/65/63/419066563.db2.gz IYIYAUWLWJPBEI-BARDWOONSA-N 2 2 270.486 3.123 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+]1CCCC[C@H]1C ZINC000655689657 419066566 /nfs/dbraw/zinc/06/65/66/419066566.db2.gz IYIYAUWLWJPBEI-BARDWOONSA-N 2 2 270.486 3.123 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660068725 419070869 /nfs/dbraw/zinc/07/08/69/419070869.db2.gz PSTICHFHXWZWFR-CHWSQXEVSA-N 2 2 262.388 3.130 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660068725 419070871 /nfs/dbraw/zinc/07/08/71/419070871.db2.gz PSTICHFHXWZWFR-CHWSQXEVSA-N 2 2 262.388 3.130 20 0 CGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC2CCCCC2)CC1 ZINC000653689928 419071350 /nfs/dbraw/zinc/07/13/50/419071350.db2.gz YPJWNQLXLCQWHP-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC2CCCCC2)CC1 ZINC000653689928 419071353 /nfs/dbraw/zinc/07/13/53/419071353.db2.gz YPJWNQLXLCQWHP-MRXNPFEDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000660110368 419078091 /nfs/dbraw/zinc/07/80/91/419078091.db2.gz ASMLPHPVQDFYGI-OVYGPGRDSA-N 2 2 273.424 3.202 20 0 CGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000660110368 419078093 /nfs/dbraw/zinc/07/80/93/419078093.db2.gz ASMLPHPVQDFYGI-OVYGPGRDSA-N 2 2 273.424 3.202 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000660110949 419078231 /nfs/dbraw/zinc/07/82/31/419078231.db2.gz MFWJKCDPGHHEEJ-BFHYXJOUSA-N 2 2 285.382 3.447 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000660110949 419078233 /nfs/dbraw/zinc/07/82/33/419078233.db2.gz MFWJKCDPGHHEEJ-BFHYXJOUSA-N 2 2 285.382 3.447 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000655941426 419129748 /nfs/dbraw/zinc/12/97/48/419129748.db2.gz TZAILXVHZWSTNB-DOTOQJQBSA-N 2 2 288.435 3.002 20 0 CGADLP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000655941426 419129750 /nfs/dbraw/zinc/12/97/50/419129750.db2.gz TZAILXVHZWSTNB-DOTOQJQBSA-N 2 2 288.435 3.002 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660430604 419142967 /nfs/dbraw/zinc/14/29/67/419142967.db2.gz OQIOULZMUOGYBW-UHFFFAOYSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654530 419176226 /nfs/dbraw/zinc/17/62/26/419176226.db2.gz GXHWIBVUGYYDQP-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654530 419176227 /nfs/dbraw/zinc/17/62/27/419176227.db2.gz GXHWIBVUGYYDQP-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654530 419176229 /nfs/dbraw/zinc/17/62/29/419176229.db2.gz GXHWIBVUGYYDQP-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654530 419176232 /nfs/dbraw/zinc/17/62/32/419176232.db2.gz GXHWIBVUGYYDQP-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000656480646 419176508 /nfs/dbraw/zinc/17/65/08/419176508.db2.gz LPXHHMHYZWMWKO-QGZVFWFLSA-N 2 2 270.420 3.137 20 0 CGADLP c1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC4(CC4)CC3)C2)cc1 ZINC000656480646 419176511 /nfs/dbraw/zinc/17/65/11/419176511.db2.gz LPXHHMHYZWMWKO-QGZVFWFLSA-N 2 2 270.420 3.137 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2cccc(C)c2[nH+]1)[C@H]1C[C@H]1C ZINC000666093753 419189564 /nfs/dbraw/zinc/18/95/64/419189564.db2.gz VCPDFLXWPQBXCA-KBMXLJTQSA-N 2 2 271.408 3.209 20 0 CGADLP Cc1ncsc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000657290174 419243916 /nfs/dbraw/zinc/24/39/16/419243916.db2.gz ZGSRKKKHVPXHBI-UHFFFAOYSA-N 2 2 298.415 3.105 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc2ccccc2o1 ZINC000657293213 419245027 /nfs/dbraw/zinc/24/50/27/419245027.db2.gz KGCAWTCWHOBKLF-GFCCVEGCSA-N 2 2 281.359 3.426 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)s1 ZINC000657300079 419245612 /nfs/dbraw/zinc/24/56/12/419245612.db2.gz HOYMZJYFUUSLLT-SECBINFHSA-N 2 2 281.812 3.395 20 0 CGADLP CC[NH+](CC)[C@@H](CNCc1[nH+]ccn1C(C)C)CC(C)C ZINC000657304250 419246704 /nfs/dbraw/zinc/24/67/04/419246704.db2.gz VYUHXBOYLZMHON-MRXNPFEDSA-N 2 2 294.487 3.310 20 0 CGADLP CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345146 419256015 /nfs/dbraw/zinc/25/60/15/419256015.db2.gz IFDSQKAFTPAKBQ-UKRRQHHQSA-N 2 2 261.413 3.278 20 0 CGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657354114 419258550 /nfs/dbraw/zinc/25/85/50/419258550.db2.gz PTKLYMZSEYGZFP-UONOGXRCSA-N 2 2 261.413 3.134 20 0 CGADLP C[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCCc2ccccc21 ZINC000657368354 419261396 /nfs/dbraw/zinc/26/13/96/419261396.db2.gz VYDSJOINKJYGOV-SFHVURJKSA-N 2 2 281.403 3.171 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CO1 ZINC000657368621 419261703 /nfs/dbraw/zinc/26/17/03/419261703.db2.gz VFQZCVFFUXGTBH-HYVNUMGLSA-N 2 2 290.451 3.273 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1C(F)(F)F ZINC000666232789 419201324 /nfs/dbraw/zinc/20/13/24/419201324.db2.gz YNDUAIMDLDVMBW-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1C(F)(F)F ZINC000666232789 419201327 /nfs/dbraw/zinc/20/13/27/419201327.db2.gz YNDUAIMDLDVMBW-ZDUSSCGKSA-N 2 2 286.341 3.198 20 0 CGADLP FC(F)(F)CC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000656686670 419201622 /nfs/dbraw/zinc/20/16/22/419201622.db2.gz VOSLUHFJWKGPTQ-UHFFFAOYSA-N 2 2 295.308 3.257 20 0 CGADLP Cc1ccc(CCC[NH+]2CC(CC(F)(F)F)C2)c[nH+]1 ZINC000656688999 419203416 /nfs/dbraw/zinc/20/34/16/419203416.db2.gz YSRPHWNRXQPCIM-UHFFFAOYSA-N 2 2 272.314 3.207 20 0 CGADLP COc1cccc([C@]2(C)CC[N@H+](C[C@H]([NH3+])CC(C)C)C2)c1 ZINC000656791093 419221418 /nfs/dbraw/zinc/22/14/18/419221418.db2.gz DEKNOVYPUKCKPA-SJLPKXTDSA-N 2 2 290.451 3.032 20 0 CGADLP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)c1 ZINC000656791093 419221419 /nfs/dbraw/zinc/22/14/19/419221419.db2.gz DEKNOVYPUKCKPA-SJLPKXTDSA-N 2 2 290.451 3.032 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000657389763 419268552 /nfs/dbraw/zinc/26/85/52/419268552.db2.gz NRRVVNKLOHKZQF-XJKSGUPXSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)[nH]c2c1 ZINC000657389763 419268555 /nfs/dbraw/zinc/26/85/55/419268555.db2.gz NRRVVNKLOHKZQF-XJKSGUPXSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1F ZINC000657392299 419268621 /nfs/dbraw/zinc/26/86/21/419268621.db2.gz QPZBRIZEEXMQIR-GFCCVEGCSA-N 2 2 273.355 3.128 20 0 CGADLP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000661131381 419233520 /nfs/dbraw/zinc/23/35/20/419233520.db2.gz AUUICZQDTDWJCZ-INIZCTEOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000661131381 419233522 /nfs/dbraw/zinc/23/35/22/419233522.db2.gz AUUICZQDTDWJCZ-INIZCTEOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]c2c(n1Cc1cn3cccc(C)c3[nH+]1)CCCC2 ZINC000657260673 419239130 /nfs/dbraw/zinc/23/91/30/419239130.db2.gz QCAKELYCFUOWHT-UHFFFAOYSA-N 2 2 280.375 3.075 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CO1 ZINC000657445677 419280267 /nfs/dbraw/zinc/28/02/67/419280267.db2.gz ICCXCZGXTSTTNW-LISAXSMJSA-N 2 2 290.451 3.143 20 0 CGADLP Fc1ccc([C@H]2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657457507 419283736 /nfs/dbraw/zinc/28/37/36/419283736.db2.gz XBSHZWTVLUVOJZ-HOCLYGCPSA-N 2 2 299.393 3.394 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCCC13CCCC3)CCC2 ZINC000657472023 419286100 /nfs/dbraw/zinc/28/61/00/419286100.db2.gz GABFZUQABHYMCZ-OAHLLOKOSA-N 2 2 273.424 3.422 20 0 CGADLP CC1(C)[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1ccccc1 ZINC000657488482 419291860 /nfs/dbraw/zinc/29/18/60/419291860.db2.gz PYAIYLLGVCWPOD-WMZOPIPTSA-N 2 2 295.430 3.359 20 0 CGADLP Cc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)c1 ZINC000657499005 419294725 /nfs/dbraw/zinc/29/47/25/419294725.db2.gz REWUYAOQPKRYEF-UHFFFAOYSA-N 2 2 281.403 3.307 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000657525857 419297334 /nfs/dbraw/zinc/29/73/34/419297334.db2.gz XTHDMOGEHOJLSS-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000657525857 419297337 /nfs/dbraw/zinc/29/73/37/419297337.db2.gz XTHDMOGEHOJLSS-ZDUSSCGKSA-N 2 2 298.377 3.250 20 0 CGADLP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524726 419297446 /nfs/dbraw/zinc/29/74/46/419297446.db2.gz QHGMOLUQEFXIQD-OAHLLOKOSA-N 2 2 276.424 3.048 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1F ZINC000657523179 419297706 /nfs/dbraw/zinc/29/77/06/419297706.db2.gz FAJMECNDPVQWSC-AWEZNQCLSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000657523179 419297708 /nfs/dbraw/zinc/29/77/08/419297708.db2.gz FAJMECNDPVQWSC-AWEZNQCLSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)[nH]c2c1 ZINC000657527723 419298629 /nfs/dbraw/zinc/29/86/29/419298629.db2.gz YCNSFBHQQUXEOG-MRXNPFEDSA-N 2 2 285.435 3.439 20 0 CGADLP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)[nH]c2c1 ZINC000657527723 419298631 /nfs/dbraw/zinc/29/86/31/419298631.db2.gz YCNSFBHQQUXEOG-MRXNPFEDSA-N 2 2 285.435 3.439 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000657741053 419334658 /nfs/dbraw/zinc/33/46/58/419334658.db2.gz ATJKZPMBHDAKIF-VQTKUKTRSA-N 2 2 280.362 3.052 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000657741053 419334661 /nfs/dbraw/zinc/33/46/61/419334661.db2.gz ATJKZPMBHDAKIF-VQTKUKTRSA-N 2 2 280.362 3.052 20 0 CGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCC(F)CC1 ZINC000657742983 419335603 /nfs/dbraw/zinc/33/56/03/419335603.db2.gz DBLBZRZBLWRPLH-HSBZDZAISA-N 2 2 275.371 3.341 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCSCC1)Cc1ccccc1 ZINC000657818102 419368495 /nfs/dbraw/zinc/36/84/95/419368495.db2.gz SAWRQHUDKROGPX-IAGOWNOFSA-N 2 2 292.492 3.035 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1c1ccccc1F ZINC000662280562 419385912 /nfs/dbraw/zinc/38/59/12/419385912.db2.gz FRXDIEQHLNDMDC-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1c1ccccc1F ZINC000662280562 419385918 /nfs/dbraw/zinc/38/59/18/419385918.db2.gz FRXDIEQHLNDMDC-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995469 419485662 /nfs/dbraw/zinc/48/56/62/419485662.db2.gz HFDNAMIDZZPCQS-NEPJUHHUSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995469 419485669 /nfs/dbraw/zinc/48/56/69/419485669.db2.gz HFDNAMIDZZPCQS-NEPJUHHUSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H]([NH2+]C1CC(CF)(CF)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000657980106 419475786 /nfs/dbraw/zinc/47/57/86/419475786.db2.gz UTWCTRGLUKHYPC-XJKSGUPXSA-N 2 2 296.405 3.355 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000658094751 419567471 /nfs/dbraw/zinc/56/74/71/419567471.db2.gz AMFYSQSHWYIRGB-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000658094751 419567479 /nfs/dbraw/zinc/56/74/79/419567479.db2.gz AMFYSQSHWYIRGB-UONOGXRCSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccsc1 ZINC000658054581 419523381 /nfs/dbraw/zinc/52/33/81/419523381.db2.gz FJPAIOKHJPDTBP-AAEUAGOBSA-N 2 2 252.427 3.272 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000658054581 419523388 /nfs/dbraw/zinc/52/33/88/419523388.db2.gz FJPAIOKHJPDTBP-AAEUAGOBSA-N 2 2 252.427 3.272 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054718 419525002 /nfs/dbraw/zinc/52/50/02/419525002.db2.gz GFHOETOSPJBKQL-PBHICJAKSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054718 419525006 /nfs/dbraw/zinc/52/50/06/419525006.db2.gz GFHOETOSPJBKQL-PBHICJAKSA-N 2 2 272.436 3.445 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1F ZINC000658054310 419525433 /nfs/dbraw/zinc/52/54/33/419525433.db2.gz DECLGLUSMRTDPL-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1F ZINC000658054310 419525440 /nfs/dbraw/zinc/52/54/40/419525440.db2.gz DECLGLUSMRTDPL-TZMCWYRMSA-N 2 2 294.414 3.358 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000658058473 419529059 /nfs/dbraw/zinc/52/90/59/419529059.db2.gz DLVVSAUPFWZQEI-PBHICJAKSA-N 2 2 287.451 3.396 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCNc2ccccc21 ZINC000658058473 419529066 /nfs/dbraw/zinc/52/90/66/419529066.db2.gz DLVVSAUPFWZQEI-PBHICJAKSA-N 2 2 287.451 3.396 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658060410 419533620 /nfs/dbraw/zinc/53/36/20/419533620.db2.gz ZKEFIIOIGFDMMH-STQMWFEESA-N 2 2 266.454 3.142 20 0 CGADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658060410 419533631 /nfs/dbraw/zinc/53/36/31/419533631.db2.gz ZKEFIIOIGFDMMH-STQMWFEESA-N 2 2 266.454 3.142 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094950 419570805 /nfs/dbraw/zinc/57/08/05/419570805.db2.gz CCONQNLVWGOUSN-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094950 419570808 /nfs/dbraw/zinc/57/08/08/419570808.db2.gz CCONQNLVWGOUSN-MJBXVCDLSA-N 2 2 252.446 3.274 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000663508393 419639384 /nfs/dbraw/zinc/63/93/84/419639384.db2.gz PEEOEZLOCDEUJC-HNNXBMFYSA-N 2 2 268.404 3.360 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000663425400 419600974 /nfs/dbraw/zinc/60/09/74/419600974.db2.gz PXSHKCWXICZOSQ-ZDUSSCGKSA-N 2 2 297.402 3.200 20 0 CGADLP c1ccc(N2CCC([NH2+]CCCC3CCC3)CC2)[nH+]c1 ZINC000658224308 419681753 /nfs/dbraw/zinc/68/17/53/419681753.db2.gz SGYDPIWDGZAWGT-UHFFFAOYSA-N 2 2 273.424 3.220 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000663511725 419641858 /nfs/dbraw/zinc/64/18/58/419641858.db2.gz YNGKMMKZCXQZMY-INIZCTEOSA-N 2 2 298.430 3.272 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000658204824 419657481 /nfs/dbraw/zinc/65/74/81/419657481.db2.gz BZITWDAVTPXYEJ-AOIWGVFYSA-N 2 2 299.462 3.072 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@H+]3C[C@H](C)OC[C@H]3C)c2c1 ZINC000664241944 419864561 /nfs/dbraw/zinc/86/45/61/419864561.db2.gz KJQNDLYRCFWFKA-CABCVRRESA-N 2 2 299.418 3.064 20 0 CGADLP Cc1ccc2cc[nH+]c(NCC[N@@H+]3C[C@H](C)OC[C@H]3C)c2c1 ZINC000664241944 419864569 /nfs/dbraw/zinc/86/45/69/419864569.db2.gz KJQNDLYRCFWFKA-CABCVRRESA-N 2 2 299.418 3.064 20 0 CGADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000536948861 288511108 /nfs/dbraw/zinc/51/11/08/288511108.db2.gz DGSRLIPTBBXVKH-INIZCTEOSA-N 2 2 272.396 3.045 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448971 260102371 /nfs/dbraw/zinc/10/23/71/260102371.db2.gz YUSWRPCCKSQZGO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448971 260102372 /nfs/dbraw/zinc/10/23/72/260102372.db2.gz YUSWRPCCKSQZGO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448971 260102374 /nfs/dbraw/zinc/10/23/74/260102374.db2.gz YUSWRPCCKSQZGO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC000180448971 260102375 /nfs/dbraw/zinc/10/23/75/260102375.db2.gz YUSWRPCCKSQZGO-OAHLLOKOSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154009 270028781 /nfs/dbraw/zinc/02/87/81/270028781.db2.gz RNWVGSURSKDOKM-IRXDYDNUSA-N 2 2 274.452 3.472 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037295813 270029475 /nfs/dbraw/zinc/02/94/75/270029475.db2.gz WBBNPZYAKRPUQA-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037295813 270029477 /nfs/dbraw/zinc/02/94/77/270029477.db2.gz WBBNPZYAKRPUQA-WBVHZDCISA-N 2 2 260.425 3.429 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000042314344 270031971 /nfs/dbraw/zinc/03/19/71/270031971.db2.gz TWRYILOKULNJJD-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1c(C)noc1C ZINC000191825302 270076278 /nfs/dbraw/zinc/07/62/78/270076278.db2.gz WVAMDTPQKDIKGE-CQSZACIVSA-N 2 2 267.417 3.064 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000250361659 270091386 /nfs/dbraw/zinc/09/13/86/270091386.db2.gz UCZZQJWRPBYRJA-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000250361659 270091387 /nfs/dbraw/zinc/09/13/87/270091387.db2.gz UCZZQJWRPBYRJA-IUODEOHRSA-N 2 2 266.816 3.475 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000250377936 270091409 /nfs/dbraw/zinc/09/14/09/270091409.db2.gz WOAKNOAOLQCASH-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000250377936 270091410 /nfs/dbraw/zinc/09/14/10/270091410.db2.gz WOAKNOAOLQCASH-HZPDHXFCSA-N 2 2 260.425 3.438 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000525874474 270120391 /nfs/dbraw/zinc/12/03/91/270120391.db2.gz AIWOXBGKMHGHCO-YOEHRIQHSA-N 2 2 280.431 3.495 20 0 CGADLP COC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000526107545 270122870 /nfs/dbraw/zinc/12/28/70/270122870.db2.gz DQYJTXKEHXTPRG-QZTJIDSGSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527098587 270125071 /nfs/dbraw/zinc/12/50/71/270125071.db2.gz DPVUBAOCKRXUBT-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000527098587 270125072 /nfs/dbraw/zinc/12/50/72/270125072.db2.gz DPVUBAOCKRXUBT-NXHRZFHOSA-N 2 2 272.436 3.254 20 0 CGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccncc2Cl)C1 ZINC000527638590 270130453 /nfs/dbraw/zinc/13/04/53/270130453.db2.gz LODRDOHJXLQHLN-KBPBESRZSA-N 2 2 295.858 3.193 20 0 CGADLP CCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000527752732 270134435 /nfs/dbraw/zinc/13/44/35/270134435.db2.gz PDPAPTCALORQFE-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP CCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000527752732 270134436 /nfs/dbraw/zinc/13/44/36/270134436.db2.gz PDPAPTCALORQFE-QGZVFWFLSA-N 2 2 294.483 3.190 20 0 CGADLP CC[C@@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000527766330 270134973 /nfs/dbraw/zinc/13/49/73/270134973.db2.gz ZPKJKWZZOXMDJH-INIZCTEOSA-N 2 2 271.408 3.230 20 0 CGADLP CC[NH+](CC)[C@H](C)CNc1[nH+]ccc2ccccc21 ZINC000527843561 270139292 /nfs/dbraw/zinc/13/92/92/270139292.db2.gz BWBFPLCUSILSEQ-CYBMUJFWSA-N 2 2 257.381 3.377 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528015913 270151528 /nfs/dbraw/zinc/15/15/28/270151528.db2.gz ZZMMPAFHJOLAFK-JKSUJKDBSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528015913 270151529 /nfs/dbraw/zinc/15/15/29/270151529.db2.gz ZZMMPAFHJOLAFK-JKSUJKDBSA-N 2 2 250.430 3.028 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+](CCC2CCCCC2)CC1 ZINC000528728090 270170415 /nfs/dbraw/zinc/17/04/15/270170415.db2.gz LLELTFSXKJFLHR-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000529671021 270187887 /nfs/dbraw/zinc/18/78/87/270187887.db2.gz XBVXBVUGXRJSOZ-NEWSRXKRSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000529671021 270187888 /nfs/dbraw/zinc/18/78/88/270187888.db2.gz XBVXBVUGXRJSOZ-NEWSRXKRSA-N 2 2 284.447 3.397 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530223543 270196498 /nfs/dbraw/zinc/19/64/98/270196498.db2.gz SQWSJXSWNDBRFE-LSDHHAIUSA-N 2 2 276.811 3.202 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2n1 ZINC000530220325 270196039 /nfs/dbraw/zinc/19/60/39/270196039.db2.gz NOUSOKFAHQVMDX-CXAGYDPISA-N 2 2 281.403 3.170 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220367 270196148 /nfs/dbraw/zinc/19/61/48/270196148.db2.gz NRWHXFARLGOMST-CZUORRHYSA-N 2 2 274.408 3.021 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000530223598 270196383 /nfs/dbraw/zinc/19/63/83/270196383.db2.gz NYQLYVXPSWEHKH-ZFWWWQNUSA-N 2 2 293.842 3.089 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000530223598 270196384 /nfs/dbraw/zinc/19/63/84/270196384.db2.gz NYQLYVXPSWEHKH-ZFWWWQNUSA-N 2 2 293.842 3.089 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530222062 270196669 /nfs/dbraw/zinc/19/66/69/270196669.db2.gz QCXRKJJLGOMURJ-GDBMZVCRSA-N 2 2 258.409 3.239 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530222066 270196746 /nfs/dbraw/zinc/19/67/46/270196746.db2.gz QCXRKJJLGOMURJ-HOCLYGCPSA-N 2 2 258.409 3.239 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)s1 ZINC000530226305 270196953 /nfs/dbraw/zinc/19/69/53/270196953.db2.gz ZLRGLIAVPSASSA-SMDDNHRTSA-N 2 2 264.438 3.300 20 0 CGADLP CCc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000531612182 270207969 /nfs/dbraw/zinc/20/79/69/270207969.db2.gz HUEAHCROEOYYBQ-OAHLLOKOSA-N 2 2 266.429 3.298 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccsc1)CCC2 ZINC000531731889 270209197 /nfs/dbraw/zinc/20/91/97/270209197.db2.gz BFLNGORDKSXXNM-SWLSCSKDSA-N 2 2 289.448 3.351 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccsc1)CCC2 ZINC000531731888 270209218 /nfs/dbraw/zinc/20/92/18/270209218.db2.gz BFLNGORDKSXXNM-IUODEOHRSA-N 2 2 289.448 3.351 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000531738585 270209285 /nfs/dbraw/zinc/20/92/85/270209285.db2.gz DGTQUUYLUSCDSJ-KQTLUZQSSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000531738585 270209286 /nfs/dbraw/zinc/20/92/86/270209286.db2.gz DGTQUUYLUSCDSJ-KQTLUZQSSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000532530763 270217229 /nfs/dbraw/zinc/21/72/29/270217229.db2.gz OGCAWZNSVRETDA-OCCSQVGLSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3sccc32)C1 ZINC000532530763 270217230 /nfs/dbraw/zinc/21/72/30/270217230.db2.gz OGCAWZNSVRETDA-OCCSQVGLSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000532618374 270217603 /nfs/dbraw/zinc/21/76/03/270217603.db2.gz LLEUXUIVGPGWKQ-CYBMUJFWSA-N 2 2 263.429 3.324 20 0 CGADLP CC[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C(C)C ZINC000532524303 270217004 /nfs/dbraw/zinc/21/70/04/270217004.db2.gz QFDQWFOOXDCRDN-QGZVFWFLSA-N 2 2 274.452 3.110 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091318909 274027801 /nfs/dbraw/zinc/02/78/01/274027801.db2.gz ZCVWNENYDUHZBQ-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000091318909 274027804 /nfs/dbraw/zinc/02/78/04/274027804.db2.gz ZCVWNENYDUHZBQ-MSOLQXFVSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342195668 274333676 /nfs/dbraw/zinc/33/36/76/274333676.db2.gz CHPYGRXALDVCBA-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000342195668 274333677 /nfs/dbraw/zinc/33/36/77/274333677.db2.gz CHPYGRXALDVCBA-LLVKDONJSA-N 2 2 275.783 3.029 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000177948824 274393309 /nfs/dbraw/zinc/39/33/09/274393309.db2.gz QDDBPYICWRUGTM-TYNCELHUSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000177948824 274393310 /nfs/dbraw/zinc/39/33/10/274393310.db2.gz QDDBPYICWRUGTM-TYNCELHUSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC[N@@H+]1C ZINC000247069972 274394610 /nfs/dbraw/zinc/39/46/10/274394610.db2.gz QDDBPYICWRUGTM-XUJVJEKNSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC[N@H+]1C ZINC000247069972 274394613 /nfs/dbraw/zinc/39/46/13/274394613.db2.gz QDDBPYICWRUGTM-XUJVJEKNSA-N 2 2 294.826 3.236 20 0 CGADLP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000422943155 275068195 /nfs/dbraw/zinc/06/81/95/275068195.db2.gz QJEXJEAITPZVFF-DLBZAZTESA-N 2 2 258.409 3.260 20 0 CGADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423416413 275069823 /nfs/dbraw/zinc/06/98/23/275069823.db2.gz FVJTZMMSTJOOSX-RBUKOAKNSA-N 2 2 278.399 3.151 20 0 CGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000359000694 275909890 /nfs/dbraw/zinc/90/98/90/275909890.db2.gz KMJJUEZCQVVXTI-CVEARBPZSA-N 2 2 273.424 3.466 20 0 CGADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000353975441 276008724 /nfs/dbraw/zinc/00/87/24/276008724.db2.gz UWQKTUNOEWLWJO-JQHSSLGASA-N 2 2 290.451 3.227 20 0 CGADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000353975441 276008726 /nfs/dbraw/zinc/00/87/26/276008726.db2.gz UWQKTUNOEWLWJO-JQHSSLGASA-N 2 2 290.451 3.227 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000353970150 276012197 /nfs/dbraw/zinc/01/21/97/276012197.db2.gz CDFOENPVLCVJPD-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000353970150 276012198 /nfs/dbraw/zinc/01/21/98/276012198.db2.gz CDFOENPVLCVJPD-MAUKXSAKSA-N 2 2 287.451 3.397 20 0 CGADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[NH+]2CCCCC2)C1 ZINC000235701698 276184062 /nfs/dbraw/zinc/18/40/62/276184062.db2.gz BYKUUMVTAJFVBY-GDBMZVCRSA-N 2 2 250.430 3.054 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346792973 276376345 /nfs/dbraw/zinc/37/63/45/276376345.db2.gz DWSNYCYNLREIHW-JJRVBVJISA-N 2 2 276.424 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346792973 276376347 /nfs/dbraw/zinc/37/63/47/276376347.db2.gz DWSNYCYNLREIHW-JJRVBVJISA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000353501252 277359875 /nfs/dbraw/zinc/35/98/75/277359875.db2.gz YRZSLSRNAHHSRJ-JKSUJKDBSA-N 2 2 264.413 3.441 20 0 CGADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccoc1 ZINC000353501252 277359876 /nfs/dbraw/zinc/35/98/76/277359876.db2.gz YRZSLSRNAHHSRJ-JKSUJKDBSA-N 2 2 264.413 3.441 20 0 CGADLP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000281951065 277555635 /nfs/dbraw/zinc/55/56/35/277555635.db2.gz ANUCMRUZOBIMBM-NVXWUHKLSA-N 2 2 299.418 3.167 20 0 CGADLP CC1(C)CC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000395168694 288006662 /nfs/dbraw/zinc/00/66/62/288006662.db2.gz FPEJHKGCORGAMY-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000395168694 288006664 /nfs/dbraw/zinc/00/66/64/288006664.db2.gz FPEJHKGCORGAMY-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000395304157 288007802 /nfs/dbraw/zinc/00/78/02/288007802.db2.gz SWYAGOVHIUDLGT-YOEHRIQHSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000395304157 288007804 /nfs/dbraw/zinc/00/78/04/288007804.db2.gz SWYAGOVHIUDLGT-YOEHRIQHSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397634771 288025598 /nfs/dbraw/zinc/02/55/98/288025598.db2.gz WRHCXRYSIFCKEU-BHYGNILZSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000397634771 288025599 /nfs/dbraw/zinc/02/55/99/288025599.db2.gz WRHCXRYSIFCKEU-BHYGNILZSA-N 2 2 272.436 3.285 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397632349 288025730 /nfs/dbraw/zinc/02/57/30/288025730.db2.gz VWDQPOGOILHFCP-TZMCWYRMSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC1(C)C ZINC000487198264 278261590 /nfs/dbraw/zinc/26/15/90/278261590.db2.gz VORGKYCYZWHIFU-AEGPPILISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CC1(C)C ZINC000487198264 278261592 /nfs/dbraw/zinc/26/15/92/278261592.db2.gz VORGKYCYZWHIFU-AEGPPILISA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000224389982 278274786 /nfs/dbraw/zinc/27/47/86/278274786.db2.gz SGKGFTXCKYHRFO-YUTCNCBUSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000224389982 278274788 /nfs/dbraw/zinc/27/47/88/278274788.db2.gz SGKGFTXCKYHRFO-YUTCNCBUSA-N 2 2 250.411 3.026 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C12CC3CC(CC(C3)C1)C2 ZINC000427864937 278277004 /nfs/dbraw/zinc/27/70/04/278277004.db2.gz GLSOSMPYOTUJTC-USCDJENESA-N 2 2 299.462 3.392 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000348341427 278284712 /nfs/dbraw/zinc/28/47/12/278284712.db2.gz SPTKDCXPIOYTKV-GFCCVEGCSA-N 2 2 278.362 3.181 20 0 CGADLP Cc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000397935707 288035394 /nfs/dbraw/zinc/03/53/94/288035394.db2.gz HNERFQPKKSCOCQ-LBPRGKRZSA-N 2 2 282.347 3.020 20 0 CGADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000261578405 278369773 /nfs/dbraw/zinc/36/97/73/278369773.db2.gz OXGVDRATGHRTAQ-SNVBAGLBSA-N 2 2 266.351 3.037 20 0 CGADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000261578405 278369774 /nfs/dbraw/zinc/36/97/74/278369774.db2.gz OXGVDRATGHRTAQ-SNVBAGLBSA-N 2 2 266.351 3.037 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000459375261 288085804 /nfs/dbraw/zinc/08/58/04/288085804.db2.gz YRUPDQMHBFWEMM-KRWDZBQOSA-N 2 2 283.419 3.088 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000459375261 288085808 /nfs/dbraw/zinc/08/58/08/288085808.db2.gz YRUPDQMHBFWEMM-KRWDZBQOSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@@H]1C[C@@H](Nc2cc3c(c[nH+]2)CCCC3)c2[nH+]ccn21 ZINC000453234985 278926688 /nfs/dbraw/zinc/92/66/88/278926688.db2.gz JBIPCFLVWSKUMZ-BXUZGUMPSA-N 2 2 268.364 3.275 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1c(C)noc1C ZINC000423015975 288092172 /nfs/dbraw/zinc/09/21/72/288092172.db2.gz RYNCSXXMIRLZMU-JYJNAYRXSA-N 2 2 285.391 3.477 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CCC2 ZINC000361665171 279003804 /nfs/dbraw/zinc/00/38/04/279003804.db2.gz VDRAPDNZSYTUOH-CLWVCHIJSA-N 2 2 275.440 3.483 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000414755379 279180123 /nfs/dbraw/zinc/18/01/23/279180123.db2.gz HKQUQFZAXVOYLY-NWDGAFQWSA-N 2 2 280.378 3.270 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000414755379 279180124 /nfs/dbraw/zinc/18/01/24/279180124.db2.gz HKQUQFZAXVOYLY-NWDGAFQWSA-N 2 2 280.378 3.270 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000490226867 288117427 /nfs/dbraw/zinc/11/74/27/288117427.db2.gz HMSYSXSBPFKDLC-MDASCCDHSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000490226867 288117432 /nfs/dbraw/zinc/11/74/32/288117432.db2.gz HMSYSXSBPFKDLC-MDASCCDHSA-N 2 2 284.447 3.445 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000346982207 279290498 /nfs/dbraw/zinc/29/04/98/279290498.db2.gz NOLFAJPLZZEQJP-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP Clc1cc(Cl)c2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000346982207 279290501 /nfs/dbraw/zinc/29/05/01/279290501.db2.gz NOLFAJPLZZEQJP-LLVKDONJSA-N 2 2 299.245 3.351 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248462557 279315103 /nfs/dbraw/zinc/31/51/03/279315103.db2.gz YKPYWFRBSCOARN-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248462557 279315104 /nfs/dbraw/zinc/31/51/04/279315104.db2.gz YKPYWFRBSCOARN-ZBFHGGJFSA-N 2 2 292.398 3.113 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)CCC2 ZINC000527665693 288185631 /nfs/dbraw/zinc/18/56/31/288185631.db2.gz HUYKBVPXUKGCRY-OJLVUWQFSA-N 2 2 273.424 3.093 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527852833 288197949 /nfs/dbraw/zinc/19/79/49/288197949.db2.gz RZBZKLLMHKGGBD-BMIGLBTASA-N 2 2 293.773 3.341 20 0 CGADLP CC1(C)CC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000528430008 288199508 /nfs/dbraw/zinc/19/95/08/288199508.db2.gz SAFAMKIENFRZHA-UHFFFAOYSA-N 2 2 273.424 3.394 20 0 CGADLP Cc1c[nH+]ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000528521025 288206440 /nfs/dbraw/zinc/20/64/40/288206440.db2.gz YSTZZTIODMLUFB-VXGBXAGGSA-N 2 2 255.365 3.006 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177568 288294746 /nfs/dbraw/zinc/29/47/46/288294746.db2.gz KIOSTBOVTFGAJG-QGZVFWFLSA-N 2 2 284.403 3.369 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178383 288295511 /nfs/dbraw/zinc/29/55/11/288295511.db2.gz KSLKOCGNEDQBAQ-CQSZACIVSA-N 2 2 264.800 3.023 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146626 289036550 /nfs/dbraw/zinc/03/65/50/289036550.db2.gz VNRMQZHOHMBPCH-RANZSIQMSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146626 289036551 /nfs/dbraw/zinc/03/65/51/289036551.db2.gz VNRMQZHOHMBPCH-RANZSIQMSA-N 2 2 272.436 3.253 20 0 CGADLP CC1(C)CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000551268396 289106433 /nfs/dbraw/zinc/10/64/33/289106433.db2.gz CZTZGBFUVGUFCN-UHFFFAOYSA-N 2 2 261.413 3.278 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@@H+]1C1CC1 ZINC000552568524 289193186 /nfs/dbraw/zinc/19/31/86/289193186.db2.gz OYMOISSNSUJIET-FZMZJTMJSA-N 2 2 296.817 3.236 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C[N@H+]1C1CC1 ZINC000552568524 289193188 /nfs/dbraw/zinc/19/31/88/289193188.db2.gz OYMOISSNSUJIET-FZMZJTMJSA-N 2 2 296.817 3.236 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CC2(CCC2)C1 ZINC000448077684 289207136 /nfs/dbraw/zinc/20/71/36/289207136.db2.gz OBUDIBJLXZSWJI-INIZCTEOSA-N 2 2 272.436 3.082 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000554089522 289257232 /nfs/dbraw/zinc/25/72/32/289257232.db2.gz UFRIOKKCIQJOIJ-XOYOTBSWSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000554089522 289257233 /nfs/dbraw/zinc/25/72/33/289257233.db2.gz UFRIOKKCIQJOIJ-XOYOTBSWSA-N 2 2 272.436 3.285 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312416 289268104 /nfs/dbraw/zinc/26/81/04/289268104.db2.gz UOOLGOPABRAMNH-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312416 289268108 /nfs/dbraw/zinc/26/81/08/289268108.db2.gz UOOLGOPABRAMNH-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312416 289268112 /nfs/dbraw/zinc/26/81/12/289268112.db2.gz UOOLGOPABRAMNH-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cn2)C[C@@H]1C ZINC000554312416 289268114 /nfs/dbraw/zinc/26/81/14/289268114.db2.gz UOOLGOPABRAMNH-WFASDCNBSA-N 2 2 281.831 3.040 20 0 CGADLP Cc1cc(OCCC[C@H](C)[NH2+]CC[NH+](C)C)ccc1Cl ZINC000555341819 289339880 /nfs/dbraw/zinc/33/98/80/289339880.db2.gz QCSVPOZYJYQDFZ-AWEZNQCLSA-N 2 2 298.858 3.347 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H]1c1ccccc1 ZINC000556126805 289372391 /nfs/dbraw/zinc/37/23/91/289372391.db2.gz VZCLSTSGSICMKB-RBUKOAKNSA-N 2 2 280.415 3.264 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H]1c1ccccc1 ZINC000556126805 289372392 /nfs/dbraw/zinc/37/23/92/289372392.db2.gz VZCLSTSGSICMKB-RBUKOAKNSA-N 2 2 280.415 3.264 20 0 CGADLP CC1=CC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000556812147 289410257 /nfs/dbraw/zinc/41/02/57/289410257.db2.gz PFSDNVBAOMMDTK-MRXNPFEDSA-N 2 2 267.376 3.461 20 0 CGADLP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000557447034 289441036 /nfs/dbraw/zinc/44/10/36/289441036.db2.gz XBMVTBJECAYKMB-ZWKOTPCHSA-N 2 2 290.451 3.261 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1F ZINC000423392387 295019084 /nfs/dbraw/zinc/01/90/84/295019084.db2.gz QJEIPQQXPYIZAQ-MLGOLLRUSA-N 2 2 294.414 3.263 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423316796 528515443 /nfs/dbraw/zinc/51/54/43/528515443.db2.gz YBOJVEVZANINHO-SNVBAGLBSA-N 2 2 258.768 3.129 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000564798905 322043363 /nfs/dbraw/zinc/04/33/63/322043363.db2.gz AACMHZDGTTVWII-QGZVFWFLSA-N 2 2 298.430 3.293 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000564798905 322043365 /nfs/dbraw/zinc/04/33/65/322043365.db2.gz AACMHZDGTTVWII-QGZVFWFLSA-N 2 2 298.430 3.293 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+]CCC[NH+]1CCC1 ZINC000565218088 322067041 /nfs/dbraw/zinc/06/70/41/322067041.db2.gz WJGJGHPGABPORH-UHFFFAOYSA-N 2 2 270.376 3.132 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)n1C ZINC000565238650 322068870 /nfs/dbraw/zinc/06/88/70/322068870.db2.gz QXPIWDNNIUOIAV-UHFFFAOYSA-N 2 2 291.826 3.449 20 0 CGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(Cl)c(F)c1 ZINC000566092399 322104062 /nfs/dbraw/zinc/10/40/62/322104062.db2.gz KHIXDDBRHSSPMV-BFVZDQMLSA-N 2 2 270.779 3.128 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000566092693 322104086 /nfs/dbraw/zinc/10/40/86/322104086.db2.gz ISQVLBVOHWBDGR-NUJGCVRESA-N 2 2 299.393 3.170 20 0 CGADLP CC(C)c1ccc(OC2CC[NH+](CC(C)(C)[NH3+])CC2)cc1 ZINC000566973399 322145226 /nfs/dbraw/zinc/14/52/26/322145226.db2.gz KHUNWDRHLOYVGT-UHFFFAOYSA-N 2 2 290.451 3.391 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)C[N@H+](Cc2ccccc2)C1 ZINC000567574844 322168223 /nfs/dbraw/zinc/16/82/23/322168223.db2.gz PQRGSKDBQAEYMW-OWLYRPNTSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)C[N@@H+](Cc2ccccc2)C1 ZINC000567574844 322168226 /nfs/dbraw/zinc/16/82/26/322168226.db2.gz PQRGSKDBQAEYMW-OWLYRPNTSA-N 2 2 290.426 3.377 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000567749996 322175922 /nfs/dbraw/zinc/17/59/22/322175922.db2.gz CZBYILLBXFOUCI-WMZOPIPTSA-N 2 2 295.430 3.464 20 0 CGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000567749996 322175923 /nfs/dbraw/zinc/17/59/23/322175923.db2.gz CZBYILLBXFOUCI-WMZOPIPTSA-N 2 2 295.430 3.464 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000567916359 322183338 /nfs/dbraw/zinc/18/33/38/322183338.db2.gz SHHDFSSLDQHQIT-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000569088471 322234432 /nfs/dbraw/zinc/23/44/32/322234432.db2.gz NWRHCXHPLSIGHH-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000569088471 322234434 /nfs/dbraw/zinc/23/44/34/322234434.db2.gz NWRHCXHPLSIGHH-ABAIWWIYSA-N 2 2 264.800 3.011 20 0 CGADLP CC(C)C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000570178138 322267236 /nfs/dbraw/zinc/26/72/36/322267236.db2.gz ISBGXHPPCDBZFS-UHFFFAOYSA-N 2 2 257.381 3.397 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(Cl)c1 ZINC000571178735 322292437 /nfs/dbraw/zinc/29/24/37/322292437.db2.gz OBERSBLUAUANST-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(Cl)c1 ZINC000571178735 322292438 /nfs/dbraw/zinc/29/24/38/322292438.db2.gz OBERSBLUAUANST-UHFFFAOYSA-N 2 2 264.800 3.043 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000572781111 322354907 /nfs/dbraw/zinc/35/49/07/322354907.db2.gz BTGNBOPXLISQJO-OAHLLOKOSA-N 2 2 292.471 3.017 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000572781111 322354909 /nfs/dbraw/zinc/35/49/09/322354909.db2.gz BTGNBOPXLISQJO-OAHLLOKOSA-N 2 2 292.471 3.017 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604380 322396842 /nfs/dbraw/zinc/39/68/42/322396842.db2.gz BRYUUIVLVYXQMW-XVWMLYKFSA-N 2 2 294.389 3.252 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604380 322396843 /nfs/dbraw/zinc/39/68/43/322396843.db2.gz BRYUUIVLVYXQMW-XVWMLYKFSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604380 322396845 /nfs/dbraw/zinc/39/68/45/322396845.db2.gz BRYUUIVLVYXQMW-XVWMLYKFSA-N 2 2 294.389 3.252 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000573604380 322396846 /nfs/dbraw/zinc/39/68/46/322396846.db2.gz BRYUUIVLVYXQMW-XVWMLYKFSA-N 2 2 294.389 3.252 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000583431677 327361062 /nfs/dbraw/zinc/36/10/62/327361062.db2.gz UXCSWFVJCAUEOE-UHFFFAOYSA-N 2 2 289.810 3.471 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2o1 ZINC000582540457 329108952 /nfs/dbraw/zinc/10/89/52/329108952.db2.gz IRMVPYJUPFHQMV-KSSFIOAISA-N 2 2 294.398 3.481 20 0 CGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2o1 ZINC000582540455 329108981 /nfs/dbraw/zinc/10/89/81/329108981.db2.gz IRMVPYJUPFHQMV-KBXCAEBGSA-N 2 2 294.398 3.481 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000576447794 335204283 /nfs/dbraw/zinc/20/42/83/335204283.db2.gz FSRZCTUSGYPJBK-CQSZACIVSA-N 2 2 278.415 3.477 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000576447794 335204284 /nfs/dbraw/zinc/20/42/84/335204284.db2.gz FSRZCTUSGYPJBK-CQSZACIVSA-N 2 2 278.415 3.477 20 0 CGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000576575737 335220536 /nfs/dbraw/zinc/22/05/36/335220536.db2.gz ZYBBQQBKWNFMBB-XYPHTWIQSA-N 2 2 298.434 3.302 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949522 335268436 /nfs/dbraw/zinc/26/84/36/335268436.db2.gz IDWUNZNMRINCIH-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949522 335268438 /nfs/dbraw/zinc/26/84/38/335268438.db2.gz IDWUNZNMRINCIH-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949522 335268440 /nfs/dbraw/zinc/26/84/40/335268440.db2.gz IDWUNZNMRINCIH-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2F)C[C@H]1C ZINC000576949522 335268441 /nfs/dbraw/zinc/26/84/41/335268441.db2.gz IDWUNZNMRINCIH-UKRRQHHQSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOc2ccc(C(C)C)cc2)n1C ZINC000577192479 335320362 /nfs/dbraw/zinc/32/03/62/335320362.db2.gz MTWDSSSCQADMGX-UHFFFAOYSA-N 2 2 287.407 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccn1C ZINC000183050966 335858943 /nfs/dbraw/zinc/85/89/43/335858943.db2.gz PWLCRAASZAOPDT-UONOGXRCSA-N 2 2 295.390 3.018 20 0 CGADLP [NH3+]C1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCCC1 ZINC000581245714 336030929 /nfs/dbraw/zinc/03/09/29/336030929.db2.gz SRIADIGOPPKPDS-OAHLLOKOSA-N 2 2 290.455 3.282 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000581260248 336033861 /nfs/dbraw/zinc/03/38/61/336033861.db2.gz GYFKBFPZYQEMAA-CABCVRRESA-N 2 2 288.439 3.105 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cn2ccccc2[nH+]1 ZINC000581260248 336033862 /nfs/dbraw/zinc/03/38/62/336033862.db2.gz GYFKBFPZYQEMAA-CABCVRRESA-N 2 2 288.439 3.105 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@@H]1C ZINC000382075978 336081290 /nfs/dbraw/zinc/08/12/90/336081290.db2.gz UHLNNSAUPQBBHJ-RKYPPNDESA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@@H]1C ZINC000382075978 336081291 /nfs/dbraw/zinc/08/12/91/336081291.db2.gz UHLNNSAUPQBBHJ-RKYPPNDESA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccncc1Cl ZINC000581542193 336098391 /nfs/dbraw/zinc/09/83/91/336098391.db2.gz FRYHKWZAGPEJPR-LLVKDONJSA-N 2 2 290.798 3.119 20 0 CGADLP Cc1[nH+]cc(CNc2ccc([NH+]3CCCC3)cc2C)n1C ZINC000581678144 336127638 /nfs/dbraw/zinc/12/76/38/336127638.db2.gz CEARHPKDKBHSAT-UHFFFAOYSA-N 2 2 284.407 3.249 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CCC2)C[N@@H+]1C1CC1 ZINC000385187972 336141576 /nfs/dbraw/zinc/14/15/76/336141576.db2.gz OCUIIFRMDVPOLP-OCCSQVGLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CCC2)C[N@H+]1C1CC1 ZINC000385187972 336141578 /nfs/dbraw/zinc/14/15/78/336141578.db2.gz OCUIIFRMDVPOLP-OCCSQVGLSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCCC[NH2+]1 ZINC000386574596 336176427 /nfs/dbraw/zinc/17/64/27/336176427.db2.gz MUPIUXYKWQZMMV-MWLCHTKSSA-N 2 2 258.818 3.022 20 0 CGADLP COc1cccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000423415019 533775110 /nfs/dbraw/zinc/77/51/10/533775110.db2.gz DBRPPSSXMWYBGF-IFXJQAMLSA-N 2 2 296.414 3.233 20 0 CGADLP COc1ccc(Cl)cc1C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000425515382 533841676 /nfs/dbraw/zinc/84/16/76/533841676.db2.gz SMRCUFAUVXGVMB-UHFFFAOYSA-N 2 2 293.798 3.070 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423341621 533891518 /nfs/dbraw/zinc/89/15/18/533891518.db2.gz MOHQCFYKXCUVFW-LRDDRELGSA-N 2 2 293.480 3.062 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc2ccccc2o1 ZINC000423373213 533991077 /nfs/dbraw/zinc/99/10/77/533991077.db2.gz WKLVXFZKQCVDDM-SGMGOOAPSA-N 2 2 258.365 3.081 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC1CCCCC1 ZINC000368089208 534082208 /nfs/dbraw/zinc/08/22/08/534082208.db2.gz KFRKCFQTOIBAAD-UKRRQHHQSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CC1CCCCC1 ZINC000368089208 534082215 /nfs/dbraw/zinc/08/22/15/534082215.db2.gz KFRKCFQTOIBAAD-UKRRQHHQSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000414223503 534109247 /nfs/dbraw/zinc/10/92/47/534109247.db2.gz QDOQROIFRBJDHW-BPUTZDHNSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 ZINC000414223503 534109253 /nfs/dbraw/zinc/10/92/53/534109253.db2.gz QDOQROIFRBJDHW-BPUTZDHNSA-N 2 2 258.409 3.210 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000449221939 534229005 /nfs/dbraw/zinc/22/90/05/534229005.db2.gz UXLHGFHGZXUPBJ-YCPHGPKFSA-N 2 2 271.408 3.291 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3=CCCC3)n2c1 ZINC000120156121 534518359 /nfs/dbraw/zinc/51/83/59/534518359.db2.gz ZOUBZEBWGZECPB-UHFFFAOYSA-N 2 2 255.365 3.233 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427122879 534521237 /nfs/dbraw/zinc/52/12/37/534521237.db2.gz UCXJQOFBERIGHD-WBMJQRKESA-N 2 2 296.817 3.096 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427122879 534521247 /nfs/dbraw/zinc/52/12/47/534521247.db2.gz UCXJQOFBERIGHD-WBMJQRKESA-N 2 2 296.817 3.096 20 0 CGADLP Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340232 534528317 /nfs/dbraw/zinc/52/83/17/534528317.db2.gz XKIQREZVBUEESW-HUUCEWRRSA-N 2 2 285.391 3.010 20 0 CGADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000155658123 522607827 /nfs/dbraw/zinc/60/78/27/522607827.db2.gz MIEUNLNUXRSOAR-AWEZNQCLSA-N 2 2 293.798 3.286 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000163865390 524025324 /nfs/dbraw/zinc/02/53/24/524025324.db2.gz POJOMUFGJFGQSX-CYBMUJFWSA-N 2 2 273.380 3.390 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367540155 534773872 /nfs/dbraw/zinc/77/38/72/534773872.db2.gz IMORGHFVGPFICI-QRVBRYPASA-N 2 2 295.430 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367540155 534773880 /nfs/dbraw/zinc/77/38/80/534773880.db2.gz IMORGHFVGPFICI-QRVBRYPASA-N 2 2 295.430 3.460 20 0 CGADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1F ZINC000151471658 525466150 /nfs/dbraw/zinc/46/61/50/525466150.db2.gz VCIXYCAQEDSYBH-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423376023 534879182 /nfs/dbraw/zinc/87/91/82/534879182.db2.gz YEJSBQSZQBMAHD-NTZNESFSSA-N 2 2 281.469 3.224 20 0 CGADLP Fc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(Cl)c1 ZINC000157847349 526337705 /nfs/dbraw/zinc/33/77/05/526337705.db2.gz IHPURPGJDHIQIM-UHFFFAOYSA-N 2 2 284.806 3.445 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155524788 526627277 /nfs/dbraw/zinc/62/72/77/526627277.db2.gz BTNZXNTYJBUALI-DOTOQJQBSA-N 2 2 297.402 3.058 20 0 CGADLP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155524788 526627282 /nfs/dbraw/zinc/62/72/82/526627282.db2.gz BTNZXNTYJBUALI-DOTOQJQBSA-N 2 2 297.402 3.058 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000366096635 526822046 /nfs/dbraw/zinc/82/20/46/526822046.db2.gz SDLRQYRRPHAULS-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000366096635 526822052 /nfs/dbraw/zinc/82/20/52/526822052.db2.gz SDLRQYRRPHAULS-QWHCGFSZSA-N 2 2 293.480 3.157 20 0 CGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)C(C)C ZINC000155855347 527166700 /nfs/dbraw/zinc/16/67/00/527166700.db2.gz JOTKKAWXMQEIGW-CYBMUJFWSA-N 2 2 259.397 3.369 20 0 CGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C[C@@H]1CCSC1 ZINC000441374641 527480427 /nfs/dbraw/zinc/48/04/27/527480427.db2.gz WPYDAZFTKZIGHN-INIZCTEOSA-N 2 2 296.524 3.375 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000428287877 527819990 /nfs/dbraw/zinc/81/99/90/527819990.db2.gz OQJFCAKZOFNRQD-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000428287877 527819994 /nfs/dbraw/zinc/81/99/94/527819994.db2.gz OQJFCAKZOFNRQD-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000428287877 527819997 /nfs/dbraw/zinc/81/99/97/527819997.db2.gz OQJFCAKZOFNRQD-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000428287877 527819998 /nfs/dbraw/zinc/81/99/98/527819998.db2.gz OQJFCAKZOFNRQD-ZDUSSCGKSA-N 2 2 298.833 3.295 20 0 CGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000449062703 527828060 /nfs/dbraw/zinc/82/80/60/527828060.db2.gz JXLKKADMKJGLTJ-HZPDHXFCSA-N 2 2 263.429 3.468 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336881 527833748 /nfs/dbraw/zinc/83/37/48/527833748.db2.gz MGCVMFLXKYQMNP-DYVFJYSZSA-N 2 2 296.405 3.435 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336881 527833749 /nfs/dbraw/zinc/83/37/49/527833749.db2.gz MGCVMFLXKYQMNP-DYVFJYSZSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336881 527833750 /nfs/dbraw/zinc/83/37/50/527833750.db2.gz MGCVMFLXKYQMNP-DYVFJYSZSA-N 2 2 296.405 3.435 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(F)cc(C)cc2F)[C@H](C)C1 ZINC000425336881 527833751 /nfs/dbraw/zinc/83/37/51/527833751.db2.gz MGCVMFLXKYQMNP-DYVFJYSZSA-N 2 2 296.405 3.435 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252339 527838996 /nfs/dbraw/zinc/83/89/96/527838996.db2.gz HDFIOROQVFYOSS-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252339 527839005 /nfs/dbraw/zinc/83/90/05/527839005.db2.gz HDFIOROQVFYOSS-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252339 527839019 /nfs/dbraw/zinc/83/90/19/527839019.db2.gz HDFIOROQVFYOSS-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252339 527839024 /nfs/dbraw/zinc/83/90/24/527839024.db2.gz HDFIOROQVFYOSS-HNNXBMFYSA-N 2 2 293.455 3.270 20 0 CGADLP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000365269549 528155188 /nfs/dbraw/zinc/15/51/88/528155188.db2.gz CZWJDQPEEKCAAO-ULQDDVLXSA-N 2 2 293.455 3.097 20 0 CGADLP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000365269549 528155194 /nfs/dbraw/zinc/15/51/94/528155194.db2.gz CZWJDQPEEKCAAO-ULQDDVLXSA-N 2 2 293.455 3.097 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437077204 528160970 /nfs/dbraw/zinc/16/09/70/528160970.db2.gz NHRDFISWXOXIOH-QGZVFWFLSA-N 2 2 274.452 3.472 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)cc2OC)CC1 ZINC000449014520 528195504 /nfs/dbraw/zinc/19/55/04/528195504.db2.gz ILOYRXLCJXJVIA-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cc2OC)CC1 ZINC000449014520 528195508 /nfs/dbraw/zinc/19/55/08/528195508.db2.gz ILOYRXLCJXJVIA-UHFFFAOYSA-N 2 2 290.451 3.310 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC)cc1 ZINC000427878227 528241299 /nfs/dbraw/zinc/24/12/99/528241299.db2.gz QEQYCVHETCZKAB-RDJZCZTQSA-N 2 2 299.418 3.338 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423250591 528331969 /nfs/dbraw/zinc/33/19/69/528331969.db2.gz UQUKGOZGGYINHM-AWEZNQCLSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000423236847 528332623 /nfs/dbraw/zinc/33/26/23/528332623.db2.gz CXONTUTWZZSGQN-QGZVFWFLSA-N 2 2 276.424 3.126 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000423379464 528424187 /nfs/dbraw/zinc/42/41/87/528424187.db2.gz LXEMNYVVEFZBBD-BXUZGUMPSA-N 2 2 254.805 3.379 20 0 CGADLP CCN(CC[NH+]1CCCCCC1)Cc1c[nH+]cn1C(C)C ZINC000425377040 528478463 /nfs/dbraw/zinc/47/84/63/528478463.db2.gz FWOLWMYEOXIRKE-UHFFFAOYSA-N 2 2 292.471 3.162 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000423318628 528514556 /nfs/dbraw/zinc/51/45/56/528514556.db2.gz ZDNXJOIFWRESNJ-MRXNPFEDSA-N 2 2 276.424 3.106 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423312921 528516177 /nfs/dbraw/zinc/51/61/77/528516177.db2.gz SXGUJOYAZBVRRG-SECBINFHSA-N 2 2 291.258 3.161 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423267311 528529744 /nfs/dbraw/zinc/52/97/44/528529744.db2.gz FFRZRHZTERYOMF-KRWDZBQOSA-N 2 2 266.388 3.329 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Br ZINC000423264736 528534048 /nfs/dbraw/zinc/53/40/48/528534048.db2.gz QHUUPSZYNLZXOQ-GWCFXTLKSA-N 2 2 285.229 3.083 20 0 CGADLP CC(C)n1cncc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000424163169 528624541 /nfs/dbraw/zinc/62/45/41/528624541.db2.gz XSEFGRAIPJUBGA-UHFFFAOYSA-N 2 2 297.406 3.063 20 0 CGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000424158642 528625271 /nfs/dbraw/zinc/62/52/71/528625271.db2.gz RLYIJKBYQDTPIH-HNNXBMFYSA-N 2 2 292.471 3.064 20 0 CGADLP CC(C)n1c[nH+]cc1CNCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000424158642 528625273 /nfs/dbraw/zinc/62/52/73/528625273.db2.gz RLYIJKBYQDTPIH-HNNXBMFYSA-N 2 2 292.471 3.064 20 0 CGADLP CCCc1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423414087 528629184 /nfs/dbraw/zinc/62/91/84/528629184.db2.gz BKTVNSWKWSKWAR-QAPCUYQASA-N 2 2 290.451 3.058 20 0 CGADLP CCCc1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000426402697 528661651 /nfs/dbraw/zinc/66/16/51/528661651.db2.gz SUNSFYGUICBXLI-UHFFFAOYSA-N 2 2 290.436 3.198 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423297548 528820363 /nfs/dbraw/zinc/82/03/63/528820363.db2.gz KTLLIAASPFBEMP-JQWIXIFHSA-N 2 2 256.340 3.133 20 0 CGADLP CCC[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000359691643 528899253 /nfs/dbraw/zinc/89/92/53/528899253.db2.gz SBUZDJCRPORPIZ-CQSZACIVSA-N 2 2 257.381 3.210 20 0 CGADLP CCC[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000418110418 528955417 /nfs/dbraw/zinc/95/54/17/528955417.db2.gz BVCPOEXNSGLCBO-INIZCTEOSA-N 2 2 260.425 3.254 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423295589 528955502 /nfs/dbraw/zinc/95/55/02/528955502.db2.gz FJQDWXHGGFDFSI-DZGCQCFKSA-N 2 2 278.444 3.166 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000423446286 529176315 /nfs/dbraw/zinc/17/63/15/529176315.db2.gz YYYBVCLVFVSOHO-SJORKVTESA-N 2 2 258.409 3.042 20 0 CGADLP CC[C@@H]([NH2+]C[C@H](C)[NH2+]C)c1ccc(OC(F)(F)F)cc1 ZINC000423382573 529177864 /nfs/dbraw/zinc/17/78/64/529177864.db2.gz GMBNRDZXFHNTOU-GXFFZTMASA-N 2 2 290.329 3.234 20 0 CGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(COC)CC1 ZINC000449147779 529201849 /nfs/dbraw/zinc/20/18/49/529201849.db2.gz RLTZKYVIOQZEAM-JCYILVPMSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(COC)CC1 ZINC000449147779 529201851 /nfs/dbraw/zinc/20/18/51/529201851.db2.gz RLTZKYVIOQZEAM-JCYILVPMSA-N 2 2 282.472 3.046 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)ccc1OC ZINC000427871141 529203839 /nfs/dbraw/zinc/20/38/39/529203839.db2.gz ZKJZUUDKQNWLDF-GDBMZVCRSA-N 2 2 299.418 3.256 20 0 CGADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423359477 529248265 /nfs/dbraw/zinc/24/82/65/529248265.db2.gz KPLOQMLISTVXSM-HEHGZKQESA-N 2 2 278.465 3.447 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@@H]1CCC[NH2+]1 ZINC000517229897 535917757 /nfs/dbraw/zinc/91/77/57/535917757.db2.gz HYMAMBPKXONYKW-ATGSNQNLSA-N 2 2 262.397 3.023 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(O)cc1 ZINC000379632447 572352658 /nfs/dbraw/zinc/35/26/58/572352658.db2.gz NSGIPRYXOMPCII-UHFFFAOYSA-N 2 2 298.430 3.392 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(O)cc1 ZINC000379632447 572352675 /nfs/dbraw/zinc/35/26/75/572352675.db2.gz NSGIPRYXOMPCII-UHFFFAOYSA-N 2 2 298.430 3.392 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403937 572750447 /nfs/dbraw/zinc/75/04/47/572750447.db2.gz BHAUUJIYWHMSDF-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403937 572750450 /nfs/dbraw/zinc/75/04/50/572750450.db2.gz BHAUUJIYWHMSDF-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403937 572750454 /nfs/dbraw/zinc/75/04/54/572750454.db2.gz BHAUUJIYWHMSDF-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000744403937 572750456 /nfs/dbraw/zinc/75/04/56/572750456.db2.gz BHAUUJIYWHMSDF-GXTWGEPZSA-N 2 2 281.831 3.040 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)[NH+]1CCCCC1 ZINC000806130795 617834594 /nfs/dbraw/zinc/83/45/94/617834594.db2.gz DGLDAHLPJRQYGW-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP COCCCC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000891846347 618336660 /nfs/dbraw/zinc/33/66/60/618336660.db2.gz ODIHWIOWLLRDOQ-UHFFFAOYSA-N 2 2 291.439 3.186 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000892105438 618535542 /nfs/dbraw/zinc/53/55/42/618535542.db2.gz KXTSZOBVMHEGIT-QAPCUYQASA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000892105438 618535548 /nfs/dbraw/zinc/53/55/48/618535548.db2.gz KXTSZOBVMHEGIT-QAPCUYQASA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000892105438 618535553 /nfs/dbraw/zinc/53/55/53/618535553.db2.gz KXTSZOBVMHEGIT-QAPCUYQASA-N 2 2 289.467 3.195 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000892105438 618535563 /nfs/dbraw/zinc/53/55/63/618535563.db2.gz KXTSZOBVMHEGIT-QAPCUYQASA-N 2 2 289.467 3.195 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)co2)cc1 ZINC000262583703 618752903 /nfs/dbraw/zinc/75/29/03/618752903.db2.gz ZJISOHXAXUSEEJ-GDBMZVCRSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)co2)cc1 ZINC000262583703 618752906 /nfs/dbraw/zinc/75/29/06/618752906.db2.gz ZJISOHXAXUSEEJ-GDBMZVCRSA-N 2 2 299.418 3.067 20 0 CGADLP C1C[C@H]2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]1S2 ZINC000926677431 618817132 /nfs/dbraw/zinc/81/71/32/618817132.db2.gz YGEIOVYVVNIMMY-WFDRTZIDSA-N 2 2 280.481 3.020 20 0 CGADLP C1C[C@H]2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]1S2 ZINC000926677431 618817133 /nfs/dbraw/zinc/81/71/33/618817133.db2.gz YGEIOVYVVNIMMY-WFDRTZIDSA-N 2 2 280.481 3.020 20 0 CGADLP C1C[C@H]2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@@H]1S2 ZINC000926677428 618817145 /nfs/dbraw/zinc/81/71/45/618817145.db2.gz YGEIOVYVVNIMMY-AQBKWJQSSA-N 2 2 280.481 3.020 20 0 CGADLP C1C[C@H]2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@@H]1S2 ZINC000926677428 618817148 /nfs/dbraw/zinc/81/71/48/618817148.db2.gz YGEIOVYVVNIMMY-AQBKWJQSSA-N 2 2 280.481 3.020 20 0 CGADLP CCCSC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000892649368 618886270 /nfs/dbraw/zinc/88/62/70/618886270.db2.gz LBZFZQPHUWXMPG-KBPBESRZSA-N 2 2 283.485 3.419 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccnc(Cl)c1 ZINC000163833833 618891127 /nfs/dbraw/zinc/89/11/27/618891127.db2.gz ABWXJVRHUNLOOF-GFCCVEGCSA-N 2 2 290.798 3.283 20 0 CGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1Cl ZINC000019905665 618973937 /nfs/dbraw/zinc/97/39/37/618973937.db2.gz FNONXNXCIWKIEI-UHFFFAOYSA-N 2 2 254.805 3.017 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCOc1ccccc1)c1ccccc1 ZINC000925523892 619017886 /nfs/dbraw/zinc/01/78/86/619017886.db2.gz OSFHQGIVZFJSNR-MAUKXSAKSA-N 2 2 284.403 3.134 20 0 CGADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1cc(C)nc2ccccc12 ZINC000092345954 619064612 /nfs/dbraw/zinc/06/46/12/619064612.db2.gz RFGVNMUOSBEAOD-MRXNPFEDSA-N 2 2 283.419 3.117 20 0 CGADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1cc(C)nc2ccccc12 ZINC000092345954 619064614 /nfs/dbraw/zinc/06/46/14/619064614.db2.gz RFGVNMUOSBEAOD-MRXNPFEDSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925645583 619104146 /nfs/dbraw/zinc/10/41/46/619104146.db2.gz QRMXDVIBYWCDRC-SJKOYZFVSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccccc1 ZINC000925699737 619150755 /nfs/dbraw/zinc/15/07/55/619150755.db2.gz QFIQHTNRJWSXKV-AGRHKRQWSA-N 2 2 295.430 3.324 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893486888 619190401 /nfs/dbraw/zinc/19/04/01/619190401.db2.gz DRYQCWIDQYKAHE-KGLIPLIRSA-N 2 2 292.423 3.031 20 0 CGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893486888 619190404 /nfs/dbraw/zinc/19/04/04/619190404.db2.gz DRYQCWIDQYKAHE-KGLIPLIRSA-N 2 2 292.423 3.031 20 0 CGADLP Cc1coc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000894581987 619581566 /nfs/dbraw/zinc/58/15/66/619581566.db2.gz QLNPZXUJWBKIRC-UHFFFAOYSA-N 2 2 286.375 3.335 20 0 CGADLP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c2c(c1)CCCN2 ZINC000894622103 619591116 /nfs/dbraw/zinc/59/11/16/619591116.db2.gz LEOHPIWHFJVOBR-UHFFFAOYSA-N 2 2 299.462 3.151 20 0 CGADLP CC1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895114209 619736184 /nfs/dbraw/zinc/73/61/84/619736184.db2.gz ZKXRISRDIZSGCT-SHTZXODSSA-N 2 2 273.424 3.348 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(C[C@@H]2C[C@H]3C[C@H]3C2)c2cccc[nH+]2)CC1 ZINC000895116827 619737107 /nfs/dbraw/zinc/73/71/07/619737107.db2.gz UPTCLWKTTNXZTK-IZZHAREASA-N 2 2 285.435 3.204 20 0 CGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCCC23CC3)CC1 ZINC000895115240 619737150 /nfs/dbraw/zinc/73/71/50/619737150.db2.gz NJSYIIJOORBQGD-JYJNAYRXSA-N 2 2 285.435 3.491 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CC2)o1 ZINC000895379573 619816978 /nfs/dbraw/zinc/81/69/78/619816978.db2.gz MJPZUOJNOXCTLG-BBRMVZONSA-N 2 2 291.439 3.104 20 0 CGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnc(C2CC2)o1 ZINC000895379573 619816979 /nfs/dbraw/zinc/81/69/79/619816979.db2.gz MJPZUOJNOXCTLG-BBRMVZONSA-N 2 2 291.439 3.104 20 0 CGADLP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895381454 619817910 /nfs/dbraw/zinc/81/79/10/619817910.db2.gz TXYKSFFTZMDURU-RDJZCZTQSA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895381454 619817913 /nfs/dbraw/zinc/81/79/13/619817913.db2.gz TXYKSFFTZMDURU-RDJZCZTQSA-N 2 2 292.471 3.016 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895645753 619863944 /nfs/dbraw/zinc/86/39/44/619863944.db2.gz BHAMTABJBHXFRG-VKJFTORMSA-N 2 2 285.435 3.039 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000895645753 619863945 /nfs/dbraw/zinc/86/39/45/619863945.db2.gz BHAMTABJBHXFRG-VKJFTORMSA-N 2 2 285.435 3.039 20 0 CGADLP CCC(CC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895711314 619873849 /nfs/dbraw/zinc/87/38/49/619873849.db2.gz NUSARPBLQBZABH-INIZCTEOSA-N 2 2 257.381 3.403 20 0 CGADLP CCN(CC)c1ccc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000262319814 620074620 /nfs/dbraw/zinc/07/46/20/620074620.db2.gz QWZGEYAQAYLPHP-IAGOWNOFSA-N 2 2 296.418 3.485 20 0 CGADLP FC(F)Sc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033762 620412446 /nfs/dbraw/zinc/41/24/46/620412446.db2.gz ZGDVNJKDCOYIBQ-LBPRGKRZSA-N 2 2 286.391 3.233 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@@H+]1C1CC1 ZINC000898031976 620469644 /nfs/dbraw/zinc/46/96/44/620469644.db2.gz RVPYMOHDVJUENH-OCCSQVGLSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCC(F)(F)CC2)C[N@H+]1C1CC1 ZINC000898031976 620469647 /nfs/dbraw/zinc/46/96/47/620469647.db2.gz RVPYMOHDVJUENH-OCCSQVGLSA-N 2 2 286.410 3.417 20 0 CGADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732126 620585639 /nfs/dbraw/zinc/58/56/39/620585639.db2.gz LOFLAFWJYGTPOZ-PMPSAXMXSA-N 2 2 275.440 3.468 20 0 CGADLP CCc1nc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902317445 621251826 /nfs/dbraw/zinc/25/18/26/621251826.db2.gz DYHCWARUMYKHPM-VXGBXAGGSA-N 2 2 281.469 3.134 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccsc1 ZINC000902437230 621318977 /nfs/dbraw/zinc/31/89/77/621318977.db2.gz HMJLYIKFNUEBIA-VCTAVGKDSA-N 2 2 258.390 3.023 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438385 621319507 /nfs/dbraw/zinc/31/95/07/621319507.db2.gz NJZYOIGESGRDMZ-LERXQTSPSA-N 2 2 286.341 3.322 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc2ccccc21 ZINC000902465462 621338730 /nfs/dbraw/zinc/33/87/30/621338730.db2.gz GBZSXAYOSRKPJO-KBEZCGTCSA-N 2 2 266.388 3.383 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902468435 621340331 /nfs/dbraw/zinc/34/03/31/621340331.db2.gz TWPFLLDTJKKRNB-QMWOBKFGSA-N 2 2 256.393 3.108 20 0 CGADLP C[C@@H]([NH2+]CCc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902783079 621439931 /nfs/dbraw/zinc/43/99/31/621439931.db2.gz WGCVTBZRIQCKCC-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP CSC[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902809238 621440889 /nfs/dbraw/zinc/44/08/89/621440889.db2.gz QPYNMSIAGJFYCV-STQMWFEESA-N 2 2 275.421 3.274 20 0 CGADLP CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902803286 621442515 /nfs/dbraw/zinc/44/25/15/621442515.db2.gz UYRCYXLRJDCTET-RHSMWYFYSA-N 2 2 287.407 3.074 20 0 CGADLP C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903006112 621528618 /nfs/dbraw/zinc/52/86/18/621528618.db2.gz DBPYPPKZDPURJP-BBRMVZONSA-N 2 2 285.391 3.090 20 0 CGADLP COC1CC(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000903045494 621553725 /nfs/dbraw/zinc/55/37/25/621553725.db2.gz UHQMFLGOIHPWJR-SYJJWHGVSA-N 2 2 299.418 3.338 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2ccccc2)c[nH+]1 ZINC000903221857 621634423 /nfs/dbraw/zinc/63/44/23/621634423.db2.gz UYZXBXIOXAVMKS-VSZNYVQBSA-N 2 2 281.403 3.403 20 0 CGADLP C[N@@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2CCC[C@H]21 ZINC000903268956 621655737 /nfs/dbraw/zinc/65/57/37/621655737.db2.gz OGRMGJANZBHQAJ-CWRNSKLLSA-N 2 2 271.408 3.244 20 0 CGADLP C[N@H+]1CC[C@H](Nc2cccc(C3CC3)[nH+]2)[C@@H]2CCC[C@H]21 ZINC000903268956 621655742 /nfs/dbraw/zinc/65/57/42/621655742.db2.gz OGRMGJANZBHQAJ-CWRNSKLLSA-N 2 2 271.408 3.244 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ncccc2Cl)CCC1 ZINC000903813211 621814818 /nfs/dbraw/zinc/81/48/18/621814818.db2.gz ZDVFKYSVWVVDOS-HNNXBMFYSA-N 2 2 293.842 3.219 20 0 CGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ncccc2Cl)CCC1 ZINC000903813211 621814820 /nfs/dbraw/zinc/81/48/20/621814820.db2.gz ZDVFKYSVWVVDOS-HNNXBMFYSA-N 2 2 293.842 3.219 20 0 CGADLP CCc1nc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cs1 ZINC000903812648 621814855 /nfs/dbraw/zinc/81/48/55/621814855.db2.gz VNRNAIQKIFQMNV-AWEZNQCLSA-N 2 2 293.480 3.189 20 0 CGADLP CCc1nc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cs1 ZINC000903812648 621814858 /nfs/dbraw/zinc/81/48/58/621814858.db2.gz VNRNAIQKIFQMNV-AWEZNQCLSA-N 2 2 293.480 3.189 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000903821492 621816205 /nfs/dbraw/zinc/81/62/05/621816205.db2.gz MBIJDZSWGLKHSW-HZPDHXFCSA-N 2 2 272.779 3.054 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856168 621821222 /nfs/dbraw/zinc/82/12/22/621821222.db2.gz QRLKQTLCDZODSH-OCCSQVGLSA-N 2 2 284.325 3.019 20 0 CGADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856168 621821224 /nfs/dbraw/zinc/82/12/24/621821224.db2.gz QRLKQTLCDZODSH-OCCSQVGLSA-N 2 2 284.325 3.019 20 0 CGADLP CCSc1ccccc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856613 621821656 /nfs/dbraw/zinc/82/16/56/621821656.db2.gz AJMOAGZNESSCKA-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1ccccc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856613 621821659 /nfs/dbraw/zinc/82/16/59/621821659.db2.gz AJMOAGZNESSCKA-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903893125 621827518 /nfs/dbraw/zinc/82/75/18/621827518.db2.gz QQYMAFRGIGTFHU-YPMHNXCESA-N 2 2 288.769 3.112 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903893125 621827521 /nfs/dbraw/zinc/82/75/21/621827521.db2.gz QQYMAFRGIGTFHU-YPMHNXCESA-N 2 2 288.769 3.112 20 0 CGADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1csc2ccccc12 ZINC000904482726 621926688 /nfs/dbraw/zinc/92/66/88/621926688.db2.gz CXNUYTFFDBXPAT-OPGSHWCFSA-N 2 2 272.417 3.304 20 0 CGADLP CCC1([NH+](C)C)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906588909 622250228 /nfs/dbraw/zinc/25/02/28/622250228.db2.gz IKGWBZTYMHKRTE-SJORKVTESA-N 2 2 290.426 3.488 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000921531614 625650343 /nfs/dbraw/zinc/65/03/43/625650343.db2.gz NTKBFPMNCSUUON-DUQPFJRNSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000921531614 625650348 /nfs/dbraw/zinc/65/03/48/625650348.db2.gz NTKBFPMNCSUUON-DUQPFJRNSA-N 2 2 294.483 3.044 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921589843 625693057 /nfs/dbraw/zinc/69/30/57/625693057.db2.gz AHUFSUFNJDISDT-MRXNPFEDSA-N 2 2 297.402 3.058 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000921589843 625693067 /nfs/dbraw/zinc/69/30/67/625693067.db2.gz AHUFSUFNJDISDT-MRXNPFEDSA-N 2 2 297.402 3.058 20 0 CGADLP FC(F)(F)SCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021550 626179440 /nfs/dbraw/zinc/17/94/40/626179440.db2.gz YPFHKMRESRGUNM-LBPRGKRZSA-N 2 2 296.402 3.047 20 0 CGADLP FC(F)(F)SCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021550 626179441 /nfs/dbraw/zinc/17/94/41/626179441.db2.gz YPFHKMRESRGUNM-LBPRGKRZSA-N 2 2 296.402 3.047 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000838897846 626281054 /nfs/dbraw/zinc/28/10/54/626281054.db2.gz JBXJZHSKOWJGDC-UHFFFAOYSA-N 2 2 292.814 3.070 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000838897846 626281056 /nfs/dbraw/zinc/28/10/56/626281056.db2.gz JBXJZHSKOWJGDC-UHFFFAOYSA-N 2 2 292.814 3.070 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000764885787 627231523 /nfs/dbraw/zinc/23/15/23/627231523.db2.gz ODGHPZYMLRMACT-GOSISDBHSA-N 2 2 295.430 3.347 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000765256544 627243635 /nfs/dbraw/zinc/24/36/35/627243635.db2.gz DRZUCGHGKUQMBV-QGZVFWFLSA-N 2 2 269.392 3.249 20 0 CGADLP C[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)[NH+]1CCCCC1 ZINC000765251435 627243894 /nfs/dbraw/zinc/24/38/94/627243894.db2.gz FSHUAZVPIPVBNA-IIDMSEBBSA-N 2 2 272.436 3.384 20 0 CGADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000766214784 627304021 /nfs/dbraw/zinc/30/40/21/627304021.db2.gz ZLNNIRQQHUHTHM-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC000766272984 627310415 /nfs/dbraw/zinc/31/04/15/627310415.db2.gz MMCJDKFGXQNWIT-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1C ZINC000766272984 627310416 /nfs/dbraw/zinc/31/04/16/627310416.db2.gz MMCJDKFGXQNWIT-HOTGVXAUSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c1C ZINC000766274063 627311409 /nfs/dbraw/zinc/31/14/09/627311409.db2.gz SHXIGEFKJIYLAH-HOCLYGCPSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c1C ZINC000766274063 627311415 /nfs/dbraw/zinc/31/14/15/627311415.db2.gz SHXIGEFKJIYLAH-HOCLYGCPSA-N 2 2 260.425 3.438 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766273588 627311678 /nfs/dbraw/zinc/31/16/78/627311678.db2.gz QLLLUHBWGVPOQZ-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766273588 627311679 /nfs/dbraw/zinc/31/16/79/627311679.db2.gz QLLLUHBWGVPOQZ-PBHICJAKSA-N 2 2 258.409 3.056 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000767346388 627399798 /nfs/dbraw/zinc/39/97/98/627399798.db2.gz KCAUPZICXGPUCY-UHFFFAOYSA-N 2 2 298.430 3.434 20 0 CGADLP Cc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000767346388 627399800 /nfs/dbraw/zinc/39/98/00/627399800.db2.gz KCAUPZICXGPUCY-UHFFFAOYSA-N 2 2 298.430 3.434 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000769867354 627584922 /nfs/dbraw/zinc/58/49/22/627584922.db2.gz KGGZLTMAVZHUHT-ZDUSSCGKSA-N 2 2 293.455 3.316 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000771388925 627706139 /nfs/dbraw/zinc/70/61/39/627706139.db2.gz PVXGEYWXTUVFAN-GDBMZVCRSA-N 2 2 285.391 3.092 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000772949288 627833817 /nfs/dbraw/zinc/83/38/17/627833817.db2.gz UJPNNFZKUZPUOJ-GFCCVEGCSA-N 2 2 279.428 3.069 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000774443200 627991263 /nfs/dbraw/zinc/99/12/63/627991263.db2.gz ODOOXAZAVWXEST-SUMWQHHRSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000774443200 627991264 /nfs/dbraw/zinc/99/12/64/627991264.db2.gz ODOOXAZAVWXEST-SUMWQHHRSA-N 2 2 276.399 3.351 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H]1C)Cc1ccccc1 ZINC000783221014 628688952 /nfs/dbraw/zinc/68/89/52/628688952.db2.gz DUAZNNZRBVMYEI-NJAFHUGGSA-N 2 2 274.452 3.328 20 0 CGADLP Clc1ccc2c(n1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000788508763 629060659 /nfs/dbraw/zinc/06/06/59/629060659.db2.gz VAXIIGHTYAVHFW-CQSZACIVSA-N 2 2 293.842 3.188 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806152776 629508261 /nfs/dbraw/zinc/50/82/61/629508261.db2.gz UVHMWTDSAXANDA-RTBURBONSA-N 2 2 299.462 3.429 20 0 CGADLP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000863548530 629604459 /nfs/dbraw/zinc/60/44/59/629604459.db2.gz YVFUYBAWKDRYAF-SMDDNHRTSA-N 2 2 293.361 3.267 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000796277649 629760429 /nfs/dbraw/zinc/76/04/29/629760429.db2.gz FOBUVGBAJFAYSZ-NSHDSACASA-N 2 2 295.477 3.425 20 0 CGADLP CCCOc1ccc(C(C)(C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000796573094 629801887 /nfs/dbraw/zinc/80/18/87/629801887.db2.gz LXSGBDBKBDSUDF-UHFFFAOYSA-N 2 2 290.451 3.396 20 0 CGADLP C[NH+](CCC[N@@H+](C)CCc1cccs1)Cc1ccco1 ZINC000796674176 629813467 /nfs/dbraw/zinc/81/34/67/629813467.db2.gz GQYQNQIQQNXJGO-UHFFFAOYSA-N 2 2 292.448 3.338 20 0 CGADLP C[NH+](CCC[N@H+](C)CCc1cccs1)Cc1ccco1 ZINC000796674176 629813469 /nfs/dbraw/zinc/81/34/69/629813469.db2.gz GQYQNQIQQNXJGO-UHFFFAOYSA-N 2 2 292.448 3.338 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1cccs1 ZINC000796674176 629813471 /nfs/dbraw/zinc/81/34/71/629813471.db2.gz GQYQNQIQQNXJGO-UHFFFAOYSA-N 2 2 292.448 3.338 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1cccs1 ZINC000796674176 629813475 /nfs/dbraw/zinc/81/34/75/629813475.db2.gz GQYQNQIQQNXJGO-UHFFFAOYSA-N 2 2 292.448 3.338 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000799719183 630224039 /nfs/dbraw/zinc/22/40/39/630224039.db2.gz VGWHKWYJBKDWPO-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000799719183 630224043 /nfs/dbraw/zinc/22/40/43/630224043.db2.gz VGWHKWYJBKDWPO-WMLDXEAASA-N 2 2 288.435 3.147 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000802303508 630395327 /nfs/dbraw/zinc/39/53/27/630395327.db2.gz IWLQUULHHGCVTB-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000802303508 630395328 /nfs/dbraw/zinc/39/53/28/630395328.db2.gz IWLQUULHHGCVTB-GDBMZVCRSA-N 2 2 252.446 3.275 20 0 CGADLP c1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)co1 ZINC000809704073 630786864 /nfs/dbraw/zinc/78/68/64/630786864.db2.gz URLKLWGEFDBUFR-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)co1 ZINC000809704073 630786868 /nfs/dbraw/zinc/78/68/68/630786868.db2.gz URLKLWGEFDBUFR-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)co1 ZINC000809704073 630786870 /nfs/dbraw/zinc/78/68/70/630786870.db2.gz URLKLWGEFDBUFR-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)co1 ZINC000809704073 630786876 /nfs/dbraw/zinc/78/68/76/630786876.db2.gz URLKLWGEFDBUFR-LJQANCHMSA-N 2 2 296.414 3.378 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCO2 ZINC000817954077 632249094 /nfs/dbraw/zinc/24/90/94/632249094.db2.gz BFYPKPRBBWBDDZ-ZWKOTPCHSA-N 2 2 296.414 3.362 20 0 CGADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817955136 632249801 /nfs/dbraw/zinc/24/98/01/632249801.db2.gz QUUFKJAWUAUVFY-ROUUACIJSA-N 2 2 266.388 3.272 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1(Cl)Cl ZINC000824764486 633284830 /nfs/dbraw/zinc/28/48/30/633284830.db2.gz BCXOECXBFLPKGA-LBPRGKRZSA-N 2 2 284.190 3.008 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C(C)C)C1(CO)CCC1 ZINC000830048613 633821260 /nfs/dbraw/zinc/82/12/60/633821260.db2.gz QVUSVYDYLAJZOQ-SJORKVTESA-N 2 2 296.499 3.026 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C(C)C)C1(CO)CCC1 ZINC000830048613 633821265 /nfs/dbraw/zinc/82/12/65/633821265.db2.gz QVUSVYDYLAJZOQ-SJORKVTESA-N 2 2 296.499 3.026 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CCCCc3ccccc3C2)c[nH+]1 ZINC000872017336 633937932 /nfs/dbraw/zinc/93/79/32/633937932.db2.gz ZJAVURWLTXXGON-GOSISDBHSA-N 2 2 283.419 3.201 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872020636 633941282 /nfs/dbraw/zinc/94/12/82/633941282.db2.gz JONPHNULVDVMRT-CYBMUJFWSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000872021181 633942452 /nfs/dbraw/zinc/94/24/52/633942452.db2.gz OCIKEHZXGGGRJE-CVEARBPZSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(O)ccc2F)C1 ZINC000872034928 633954745 /nfs/dbraw/zinc/95/47/45/633954745.db2.gz RWYULNUPVKTFMY-KBPBESRZSA-N 2 2 294.414 3.302 20 0 CGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(O)ccc2F)C1 ZINC000872034928 633954748 /nfs/dbraw/zinc/95/47/48/633954748.db2.gz RWYULNUPVKTFMY-KBPBESRZSA-N 2 2 294.414 3.302 20 0 CGADLP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000872084656 634008780 /nfs/dbraw/zinc/00/87/80/634008780.db2.gz JVVGDPFOMVKWRR-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000872084656 634008784 /nfs/dbraw/zinc/00/87/84/634008784.db2.gz JVVGDPFOMVKWRR-ULQDDVLXSA-N 2 2 292.467 3.085 20 0 CGADLP c1cnc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000873134130 634254178 /nfs/dbraw/zinc/25/41/78/634254178.db2.gz XPIKQVAGUOJXLQ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1 ZINC000873134130 634254184 /nfs/dbraw/zinc/25/41/84/634254184.db2.gz XPIKQVAGUOJXLQ-RTBURBONSA-N 2 2 295.430 3.341 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230840 634292332 /nfs/dbraw/zinc/29/23/32/634292332.db2.gz YOGTWLIPDSNJPE-KGLIPLIRSA-N 2 2 284.325 3.080 20 0 CGADLP CC1(C)CC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)[NH2+]C1 ZINC000873236745 634296453 /nfs/dbraw/zinc/29/64/53/634296453.db2.gz JKCNRIKLAUFIRZ-DLBZAZTESA-N 2 2 287.451 3.291 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000877477663 635052440 /nfs/dbraw/zinc/05/24/40/635052440.db2.gz HDZDGORDWVXPGR-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000877477663 635052442 /nfs/dbraw/zinc/05/24/42/635052442.db2.gz HDZDGORDWVXPGR-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCC(C)CC1 ZINC000842673265 635437261 /nfs/dbraw/zinc/43/72/61/635437261.db2.gz KZKMZLATGZITTM-CYBMUJFWSA-N 2 2 274.399 3.274 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000843053935 635551910 /nfs/dbraw/zinc/55/19/10/635551910.db2.gz MCZCJHXFPCBWEZ-YHWZYXNKSA-N 2 2 282.790 3.323 20 0 CGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000843053935 635551915 /nfs/dbraw/zinc/55/19/15/635551915.db2.gz MCZCJHXFPCBWEZ-YHWZYXNKSA-N 2 2 282.790 3.323 20 0 CGADLP COc1c(C)cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1C ZINC000843127266 635562167 /nfs/dbraw/zinc/56/21/67/635562167.db2.gz DMTYSXNJROKXKR-INIZCTEOSA-N 2 2 288.435 3.076 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCC(C)(C)C)s1 ZINC000843425580 635669841 /nfs/dbraw/zinc/66/98/41/635669841.db2.gz QMFZGTFWKAVNOY-UHFFFAOYSA-N 2 2 269.458 3.073 20 0 CGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCC(C)(C)C)s1 ZINC000843425580 635669846 /nfs/dbraw/zinc/66/98/46/635669846.db2.gz QMFZGTFWKAVNOY-UHFFFAOYSA-N 2 2 269.458 3.073 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)s1 ZINC000880132347 635920893 /nfs/dbraw/zinc/92/08/93/635920893.db2.gz LKWOZUJSNQSSQB-HUUCEWRRSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)s1 ZINC000880132347 635920895 /nfs/dbraw/zinc/92/08/95/635920895.db2.gz LKWOZUJSNQSSQB-HUUCEWRRSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c(C)s1 ZINC000880132347 635920896 /nfs/dbraw/zinc/92/08/96/635920896.db2.gz LKWOZUJSNQSSQB-HUUCEWRRSA-N 2 2 264.438 3.033 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c(C)s1 ZINC000880132347 635920897 /nfs/dbraw/zinc/92/08/97/635920897.db2.gz LKWOZUJSNQSSQB-HUUCEWRRSA-N 2 2 264.438 3.033 20 0 CGADLP C1=C[C@H]([N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203906 635936965 /nfs/dbraw/zinc/93/69/65/635936965.db2.gz GYHFNRLEDGCOAA-ROUUACIJSA-N 2 2 292.467 3.108 20 0 CGADLP C1=C[C@H]([N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203906 635936969 /nfs/dbraw/zinc/93/69/69/635936969.db2.gz GYHFNRLEDGCOAA-ROUUACIJSA-N 2 2 292.467 3.108 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cnccc2o1 ZINC000845926065 636119505 /nfs/dbraw/zinc/11/95/05/636119505.db2.gz DGEXXQVNBXLRFV-MRXNPFEDSA-N 2 2 298.390 3.229 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845927626 636119908 /nfs/dbraw/zinc/11/99/08/636119908.db2.gz KNCKNDGNEKNWPF-GJZGRUSLSA-N 2 2 295.471 3.339 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121886 636176145 /nfs/dbraw/zinc/17/61/45/636176145.db2.gz JFWOXUMUSSSUGT-FZMZJTMJSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2nc1Cl ZINC000129121886 636176151 /nfs/dbraw/zinc/17/61/51/636176151.db2.gz JFWOXUMUSSSUGT-FZMZJTMJSA-N 2 2 289.810 3.200 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345457 636690441 /nfs/dbraw/zinc/69/04/41/636690441.db2.gz COOSOKVIVWDFIE-KBXCAEBGSA-N 2 2 285.435 3.181 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883345457 636690446 /nfs/dbraw/zinc/69/04/46/636690446.db2.gz COOSOKVIVWDFIE-KBXCAEBGSA-N 2 2 285.435 3.181 20 0 CGADLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000848986357 636704934 /nfs/dbraw/zinc/70/49/34/636704934.db2.gz GNHQJDJEHMGXQG-TZMCWYRMSA-N 2 2 296.484 3.043 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2F)[C@H](C)C1 ZINC000883376770 636717941 /nfs/dbraw/zinc/71/79/41/636717941.db2.gz SOQQIHQYCPUECC-XFKAJCMBSA-N 2 2 290.426 3.332 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2F)[C@H](C)C1 ZINC000883376770 636717946 /nfs/dbraw/zinc/71/79/46/636717946.db2.gz SOQQIHQYCPUECC-XFKAJCMBSA-N 2 2 290.426 3.332 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386152 636727962 /nfs/dbraw/zinc/72/79/62/636727962.db2.gz AMCOWDOAJDKPDI-GDBMZVCRSA-N 2 2 257.381 3.259 20 0 CGADLP c1cn(C[C@@H]([NH2+]C2CCSCC2)c2ccccc2)c[nH+]1 ZINC000883386654 636728370 /nfs/dbraw/zinc/72/83/70/636728370.db2.gz KQEKRQXNOZPFSS-MRXNPFEDSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCCO1 ZINC000883387967 636728802 /nfs/dbraw/zinc/72/88/02/636728802.db2.gz JIEXYPBURNECHH-RYQLBKOJSA-N 2 2 299.418 3.172 20 0 CGADLP CC1(C)C[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429553 636753642 /nfs/dbraw/zinc/75/36/42/636753642.db2.gz YQNQFUJAUUUSMS-OAGGEKHMSA-N 2 2 294.483 3.187 20 0 CGADLP CC1(C)C[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C(C)(C)O1 ZINC000883429553 636753649 /nfs/dbraw/zinc/75/36/49/636753649.db2.gz YQNQFUJAUUUSMS-OAGGEKHMSA-N 2 2 294.483 3.187 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000850392664 637045355 /nfs/dbraw/zinc/04/53/55/637045355.db2.gz LUDYKPJMERECRS-REPLKXPHSA-N 2 2 299.462 3.110 20 0 CGADLP c1ccc(NC2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)[nH+]c1 ZINC000886093508 637405543 /nfs/dbraw/zinc/40/55/43/637405543.db2.gz APRKMFRUXIWWAN-WBVHZDCISA-N 2 2 285.435 3.394 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccsc2)CC1 ZINC000886717448 637669760 /nfs/dbraw/zinc/66/97/60/637669760.db2.gz ACLZTPQISNDRKL-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP c1cn(CCC[N@@H+]2Cc3ccccc3OC3(CCC3)C2)c[nH+]1 ZINC000887149746 637763418 /nfs/dbraw/zinc/76/34/18/637763418.db2.gz IUDLYLIQWHEMQA-UHFFFAOYSA-N 2 2 297.402 3.091 20 0 CGADLP c1cn(CCC[N@H+]2Cc3ccccc3OC3(CCC3)C2)c[nH+]1 ZINC000887149746 637763426 /nfs/dbraw/zinc/76/34/26/637763426.db2.gz IUDLYLIQWHEMQA-UHFFFAOYSA-N 2 2 297.402 3.091 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CCCO)[NH+]1CCCCC1 ZINC000924543440 638357745 /nfs/dbraw/zinc/35/77/45/638357745.db2.gz YLVUYDNPYKQFLR-IAGOWNOFSA-N 2 2 296.499 3.172 20 0 CGADLP Cc1[nH]c2ccc(C[NH2+][C@H]3CCC[NH2+][C@@H]3C)cc2c1C ZINC000925472878 638507787 /nfs/dbraw/zinc/50/77/87/638507787.db2.gz JOPPHSWLULKQLI-CJNGLKHVSA-N 2 2 271.408 3.015 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCC2)c1 ZINC000925553267 638527714 /nfs/dbraw/zinc/52/77/14/638527714.db2.gz QBFOUNCXADNSOF-QAPCUYQASA-N 2 2 299.462 3.222 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(F)c(Cl)c1 ZINC000925560573 638529731 /nfs/dbraw/zinc/52/97/31/638529731.db2.gz ZPZDPJHRGYXCAG-OVEHXKJFSA-N 2 2 294.801 3.126 20 0 CGADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925576717 638535942 /nfs/dbraw/zinc/53/59/42/638535942.db2.gz YILHVPFYEMDAGS-LVFSCSRESA-N 2 2 298.430 3.177 20 0 CGADLP C[C@H]([NH3+])[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599561 638541174 /nfs/dbraw/zinc/54/11/74/638541174.db2.gz ABWRXIMKNYLLMW-KBXCAEBGSA-N 2 2 296.418 3.182 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668691 638563388 /nfs/dbraw/zinc/56/33/88/638563388.db2.gz JVFFJTWVUNKCFE-RISCZKNCSA-N 2 2 260.406 3.131 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H](c1ccccc1)C1CC1)C2 ZINC000925749430 638594795 /nfs/dbraw/zinc/59/47/95/638594795.db2.gz XIJGUEFIWTWHOG-KRWDZBQOSA-N 2 2 299.443 3.111 20 0 CGADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H](c1ccccc1)C1CC1)C2 ZINC000925749430 638594806 /nfs/dbraw/zinc/59/48/06/638594806.db2.gz XIJGUEFIWTWHOG-KRWDZBQOSA-N 2 2 299.443 3.111 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F)C1C[NH2+]C1 ZINC000925828011 638624053 /nfs/dbraw/zinc/62/40/53/638624053.db2.gz CSHNIHIHKJDELW-SFYZADRCSA-N 2 2 291.197 3.391 20 0 CGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)nc1C ZINC000926570043 638786441 /nfs/dbraw/zinc/78/64/41/638786441.db2.gz UYKAGAZMYPTGRW-UHFFFAOYSA-N 2 2 289.467 3.299 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC(F)(F)C1 ZINC000926841613 638816950 /nfs/dbraw/zinc/81/69/50/638816950.db2.gz KNKRYJXGTPBLMX-CHWSQXEVSA-N 2 2 272.383 3.028 20 0 CGADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC(F)(F)C1 ZINC000926841613 638816952 /nfs/dbraw/zinc/81/69/52/638816952.db2.gz KNKRYJXGTPBLMX-CHWSQXEVSA-N 2 2 272.383 3.028 20 0 CGADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000929821219 638954118 /nfs/dbraw/zinc/95/41/18/638954118.db2.gz JLHYWMGFOSZJBQ-MRXNPFEDSA-N 2 2 298.434 3.257 20 0 CGADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1[nH]c(C)[nH+]c1C ZINC000929821219 638954122 /nfs/dbraw/zinc/95/41/22/638954122.db2.gz JLHYWMGFOSZJBQ-MRXNPFEDSA-N 2 2 298.434 3.257 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932926838 639401571 /nfs/dbraw/zinc/40/15/71/639401571.db2.gz MSBRGYLIXSMIJG-INIZCTEOSA-N 2 2 289.448 3.350 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932926838 639401575 /nfs/dbraw/zinc/40/15/75/639401575.db2.gz MSBRGYLIXSMIJG-INIZCTEOSA-N 2 2 289.448 3.350 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249986449 640810068 /nfs/dbraw/zinc/81/00/68/640810068.db2.gz ILDZRISWZUSFBG-WMZOPIPTSA-N 2 2 285.435 3.326 20 0 CGADLP c1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249986449 640810073 /nfs/dbraw/zinc/81/00/73/640810073.db2.gz ILDZRISWZUSFBG-WMZOPIPTSA-N 2 2 285.435 3.326 20 0 CGADLP C[NH+](C)CC(C)(C)c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 ZINC001250542325 805685904 /nfs/dbraw/zinc/68/59/04/805685904.db2.gz WLCWDMTUQPLYLW-UHFFFAOYSA-N 2 2 286.423 3.002 20 0 CGADLP Cc1ccc2[nH]c(CC3CC[NH+](C)CC3)[nH+]c2c1C ZINC001250551998 805689455 /nfs/dbraw/zinc/68/94/55/805689455.db2.gz YGAFZVAILBOGEJ-UHFFFAOYSA-N 2 2 257.381 3.064 20 0 CGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@H]([N@H+](C)C(C)C)C2)c1 ZINC001157011139 805766566 /nfs/dbraw/zinc/76/65/66/805766566.db2.gz WWAWGDSCNDIPJL-OAHLLOKOSA-N 2 2 299.418 3.162 20 0 CGADLP COc1ccc2c(cc[nH+]c2N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1 ZINC001157011139 805766571 /nfs/dbraw/zinc/76/65/71/805766571.db2.gz WWAWGDSCNDIPJL-OAHLLOKOSA-N 2 2 299.418 3.162 20 0 CGADLP Cc1c[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)cc1C ZINC001157753167 805862761 /nfs/dbraw/zinc/86/27/61/805862761.db2.gz WBGROMBIRHUHRS-CQSZACIVSA-N 2 2 267.376 3.283 20 0 CGADLP CC1(C)C[C@@H](Nc2cc(N)cc(Cl)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158264505 805930788 /nfs/dbraw/zinc/93/07/88/805930788.db2.gz CDCCNOCFXNPDJB-ABAIWWIYSA-N 2 2 296.846 3.273 20 0 CGADLP c1c[nH+]c(-c2ccc(Nc3ccc4c(c3)C[NH2+]CC4)cc2)[nH]1 ZINC001159615198 806132344 /nfs/dbraw/zinc/13/23/44/806132344.db2.gz GQEUIPGXIWRMBX-UHFFFAOYSA-N 2 2 290.370 3.466 20 0 CGADLP CNc1ccc(Nc2ccc(C3([NH3+])CCC3)cc2)c[nH+]1 ZINC001159731231 806163217 /nfs/dbraw/zinc/16/32/17/806163217.db2.gz ZLYYOZANHFXUOH-UHFFFAOYSA-N 2 2 268.364 3.205 20 0 CGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC001254232507 806373594 /nfs/dbraw/zinc/37/35/94/806373594.db2.gz UXZGLEPRZZFOIH-UHFFFAOYSA-N 2 2 274.399 3.369 20 0 CGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC001254232507 806373603 /nfs/dbraw/zinc/37/36/03/806373603.db2.gz UXZGLEPRZZFOIH-UHFFFAOYSA-N 2 2 274.399 3.369 20 0 CGADLP Cc1c(F)cc[nH+]c1N1CCC([NH3+])(CC2CCC2)CC1 ZINC001161571536 806394654 /nfs/dbraw/zinc/39/46/54/806394654.db2.gz MKSDPLFLULDGJB-UHFFFAOYSA-N 2 2 277.387 3.017 20 0 CGADLP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001254482628 806412516 /nfs/dbraw/zinc/41/25/16/806412516.db2.gz LJFHYWFOSAXEPG-NVXWUHKLSA-N 2 2 262.441 3.328 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254523961 806438715 /nfs/dbraw/zinc/43/87/15/806438715.db2.gz STFRPKWFBZARPB-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@@H]1CCC[NH+](C)CC1 ZINC001254523961 806438720 /nfs/dbraw/zinc/43/87/20/806438720.db2.gz STFRPKWFBZARPB-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523961 806438725 /nfs/dbraw/zinc/43/87/25/806438725.db2.gz STFRPKWFBZARPB-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254523961 806438729 /nfs/dbraw/zinc/43/87/29/806438729.db2.gz STFRPKWFBZARPB-CQSZACIVSA-N 2 2 266.816 3.256 20 0 CGADLP Cc1cc[nH+]c(Nc2ccc(Br)cc2C[NH3+])c1 ZINC001161852060 806472197 /nfs/dbraw/zinc/47/21/97/806472197.db2.gz XMZHGQKQVWMZAM-UHFFFAOYSA-N 2 2 292.180 3.355 20 0 CGADLP Clc1ccc(CCC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254835355 806493465 /nfs/dbraw/zinc/49/34/65/806493465.db2.gz GIURYPUOCRPENT-QGZVFWFLSA-N 2 2 292.854 3.347 20 0 CGADLP C[C@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cc1 ZINC001254834284 806493573 /nfs/dbraw/zinc/49/35/73/806493573.db2.gz WTTROKYPTAVQLX-LRDDRELGSA-N 2 2 278.827 3.475 20 0 CGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847227 806497048 /nfs/dbraw/zinc/49/70/48/806497048.db2.gz GAOKZLWRRLDKKT-HOCLYGCPSA-N 2 2 258.409 3.130 20 0 CGADLP c1cc2c(cccc2C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)s1 ZINC001254844717 806497506 /nfs/dbraw/zinc/49/75/06/806497506.db2.gz LITCJHQTVBFBND-OAHLLOKOSA-N 2 2 286.444 3.475 20 0 CGADLP [NH3+][C@H]1CCC[C@H](Nc2cc[nH+]c(OCc3ccccc3)c2)C1 ZINC001162395081 806575420 /nfs/dbraw/zinc/57/54/20/806575420.db2.gz BTFSHLQODORKHJ-HOTGVXAUSA-N 2 2 297.402 3.342 20 0 CGADLP Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC001162423633 806583583 /nfs/dbraw/zinc/58/35/83/806583583.db2.gz BVRHUAOYMHETHH-HUUCEWRRSA-N 2 2 288.439 3.337 20 0 CGADLP CCCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001255325901 806614143 /nfs/dbraw/zinc/61/41/43/806614143.db2.gz KXAZVVOXAQOFEZ-ZACQAIPSSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001255325901 806614148 /nfs/dbraw/zinc/61/41/48/806614148.db2.gz KXAZVVOXAQOFEZ-ZACQAIPSSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001255325901 806614150 /nfs/dbraw/zinc/61/41/50/806614150.db2.gz KXAZVVOXAQOFEZ-ZACQAIPSSA-N 2 2 287.451 3.024 20 0 CGADLP CCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001255325901 806614154 /nfs/dbraw/zinc/61/41/54/806614154.db2.gz KXAZVVOXAQOFEZ-ZACQAIPSSA-N 2 2 287.451 3.024 20 0 CGADLP Cc1cc[nH+]c(C)c1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162777137 806663080 /nfs/dbraw/zinc/66/30/80/806663080.db2.gz LSCSWKBUOQWRTH-LLVKDONJSA-N 2 2 266.348 3.057 20 0 CGADLP CNc1ccc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c[nH+]1 ZINC001162908290 806683501 /nfs/dbraw/zinc/68/35/01/806683501.db2.gz DDLVDGHIJYVXFL-LLVKDONJSA-N 2 2 266.348 3.087 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000050267217 798894807 /nfs/dbraw/zinc/89/48/07/798894807.db2.gz FXGJJEVBGCOYQU-QZTJIDSGSA-N 2 2 288.435 3.352 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255685721 806706036 /nfs/dbraw/zinc/70/60/36/806706036.db2.gz WGSVVGLTKNBNCA-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255685721 806706037 /nfs/dbraw/zinc/70/60/37/806706037.db2.gz WGSVVGLTKNBNCA-AVGNSLFASA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C[C@@H]1C ZINC000084987776 798941801 /nfs/dbraw/zinc/94/18/01/798941801.db2.gz NZMQNNAVGLHDOI-PMPSAXMXSA-N 2 2 252.446 3.277 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001255698447 806709273 /nfs/dbraw/zinc/70/92/73/806709273.db2.gz WSUXIAJNWOYKNJ-MJBXVCDLSA-N 2 2 290.373 3.181 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001255698447 806709274 /nfs/dbraw/zinc/70/92/74/806709274.db2.gz WSUXIAJNWOYKNJ-MJBXVCDLSA-N 2 2 290.373 3.181 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000342937281 799292047 /nfs/dbraw/zinc/29/20/47/799292047.db2.gz GTUOQTOGHZTRCO-HOCLYGCPSA-N 2 2 269.392 3.489 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000342937281 799292053 /nfs/dbraw/zinc/29/20/53/799292053.db2.gz GTUOQTOGHZTRCO-HOCLYGCPSA-N 2 2 269.392 3.489 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC001255759784 806739832 /nfs/dbraw/zinc/73/98/32/806739832.db2.gz CYXHVRKQWOPRPK-CQSZACIVSA-N 2 2 289.448 3.041 20 0 CGADLP Cc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001163362033 806748095 /nfs/dbraw/zinc/74/80/95/806748095.db2.gz LWQRRWJFGHCOTE-ZFWWWQNUSA-N 2 2 290.455 3.439 20 0 CGADLP Cc1nc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001163362033 806748098 /nfs/dbraw/zinc/74/80/98/806748098.db2.gz LWQRRWJFGHCOTE-ZFWWWQNUSA-N 2 2 290.455 3.439 20 0 CGADLP CC(C)CCC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000394048599 799493462 /nfs/dbraw/zinc/49/34/62/799493462.db2.gz TWPZTTKGPDWCHC-CQSZACIVSA-N 2 2 251.418 3.324 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000446829193 799619333 /nfs/dbraw/zinc/61/93/33/799619333.db2.gz FCHQKGVAQDGVJF-LLVKDONJSA-N 2 2 279.771 3.046 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000446829193 799619338 /nfs/dbraw/zinc/61/93/38/799619338.db2.gz FCHQKGVAQDGVJF-LLVKDONJSA-N 2 2 279.771 3.046 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255836181 806762019 /nfs/dbraw/zinc/76/20/19/806762019.db2.gz MTRDCJMHXRJLMS-HOTGVXAUSA-N 2 2 292.442 3.467 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530218435 799672184 /nfs/dbraw/zinc/67/21/84/799672184.db2.gz JBDVCAVCRGUYLP-DLBZAZTESA-N 2 2 286.419 3.021 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(C)(C)C)s2)n1C ZINC000689216375 799761923 /nfs/dbraw/zinc/76/19/23/799761923.db2.gz AHILFKAWEWYQLX-UHFFFAOYSA-N 2 2 277.437 3.377 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+]1CCCCC1 ZINC000705356210 799948181 /nfs/dbraw/zinc/94/81/81/799948181.db2.gz SRWOUNSJJBDASD-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000708837453 799996326 /nfs/dbraw/zinc/99/63/26/799996326.db2.gz OIZPFZREDSSZOP-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000708837453 799996329 /nfs/dbraw/zinc/99/63/29/799996329.db2.gz OIZPFZREDSSZOP-GXSJLCMTSA-N 2 2 273.207 3.020 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1COc2cc(Cl)ccc21 ZINC001255951925 806795237 /nfs/dbraw/zinc/79/52/37/806795237.db2.gz LDNSDAXGYBADGE-IUODEOHRSA-N 2 2 296.842 3.484 20 0 CGADLP Cc1nc(N[C@H](C[NH3+])c2ccccc2)cc(C(C)C)[nH+]1 ZINC000709842676 800020942 /nfs/dbraw/zinc/02/09/42/800020942.db2.gz VYTKFBIBWVZFKK-OAHLLOKOSA-N 2 2 270.380 3.020 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](c1cccnc1F)C1CC1 ZINC001255953908 806796708 /nfs/dbraw/zinc/79/67/08/806796708.db2.gz WOERUEVKZWZDQS-XJKSGUPXSA-N 2 2 293.430 3.382 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1Cc2cccc(C)c2C1 ZINC001255956154 806798959 /nfs/dbraw/zinc/79/89/59/806798959.db2.gz HHUBMQOMMFDDOJ-HNNXBMFYSA-N 2 2 260.425 3.431 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[N@H+]1Cc2cccc(C)c2C1 ZINC001255956154 806798961 /nfs/dbraw/zinc/79/89/61/806798961.db2.gz HHUBMQOMMFDDOJ-HNNXBMFYSA-N 2 2 260.425 3.431 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001255959410 806800419 /nfs/dbraw/zinc/80/04/19/806800419.db2.gz LHCVWKWFQZLRPB-CYBMUJFWSA-N 2 2 266.454 3.227 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001255959410 806800426 /nfs/dbraw/zinc/80/04/26/806800426.db2.gz LHCVWKWFQZLRPB-CYBMUJFWSA-N 2 2 266.454 3.227 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255968776 806802413 /nfs/dbraw/zinc/80/24/13/806802413.db2.gz IGEAGQAKUKETEK-KRWDZBQOSA-N 3 2 297.531 3.303 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255968776 806802422 /nfs/dbraw/zinc/80/24/22/806802422.db2.gz IGEAGQAKUKETEK-KRWDZBQOSA-N 3 2 297.531 3.303 20 0 CGADLP CCC1([NH3+])CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000714750313 800128824 /nfs/dbraw/zinc/12/88/24/800128824.db2.gz QZPODLQBJQGVKC-UHFFFAOYSA-N 2 2 286.341 3.409 20 0 CGADLP COc1ccccc1C(C)(C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071877 806810651 /nfs/dbraw/zinc/81/06/51/806810651.db2.gz BLJLEQNNRMAFBQ-UHFFFAOYSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721630425 800298396 /nfs/dbraw/zinc/29/83/96/800298396.db2.gz FUVHCYNNDAQATE-OAGGEKHMSA-N 2 2 282.472 3.044 20 0 CGADLP CC(C)CC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721641027 800299692 /nfs/dbraw/zinc/29/96/92/800299692.db2.gz MRQUTZVWVSMMQW-RHSMWYFYSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721641027 800299697 /nfs/dbraw/zinc/29/96/97/800299697.db2.gz MRQUTZVWVSMMQW-RHSMWYFYSA-N 2 2 260.425 3.197 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC001256105450 806821311 /nfs/dbraw/zinc/82/13/11/806821311.db2.gz FDOHWNUENREABX-IRXDYDNUSA-N 2 2 269.392 3.199 20 0 CGADLP C[C@@H](C[NH+](C)C)Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001163777514 806824744 /nfs/dbraw/zinc/82/47/44/806824744.db2.gz XDCFZRUQNPVOPC-AWEZNQCLSA-N 2 2 294.402 3.388 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1Br ZINC000821991369 800458678 /nfs/dbraw/zinc/45/86/78/800458678.db2.gz UFRJYRYXIGRYNH-SDDRHHMPSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536852 806912646 /nfs/dbraw/zinc/91/26/46/806912646.db2.gz GTGLRYQVZORNBG-NVXWUHKLSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC001256536852 806912649 /nfs/dbraw/zinc/91/26/49/806912649.db2.gz GTGLRYQVZORNBG-NVXWUHKLSA-N 2 2 290.476 3.088 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001116291295 802325260 /nfs/dbraw/zinc/32/52/60/802325260.db2.gz BFGMVGIZSICKCE-ZIAGYGMSSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001116291295 802325268 /nfs/dbraw/zinc/32/52/68/802325268.db2.gz BFGMVGIZSICKCE-ZIAGYGMSSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001116694086 802396406 /nfs/dbraw/zinc/39/64/06/802396406.db2.gz HNFQCARHQZEFPH-OCCSQVGLSA-N 2 2 289.810 3.072 20 0 CGADLP [NH3+]CCc1ccccc1-c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001243978132 803116627 /nfs/dbraw/zinc/11/66/27/803116627.db2.gz JGGIYLUULSDPMH-UHFFFAOYSA-N 2 2 263.344 3.245 20 0 CGADLP CC[N@H+](Cc1ccc2cc(C)ccc2n1)C1CC[NH+](C)CC1 ZINC001137215592 803697870 /nfs/dbraw/zinc/69/78/70/803697870.db2.gz CMWUNEJLUGKOOY-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP CC[N@@H+](Cc1ccc2cc(C)ccc2n1)C1CC[NH+](C)CC1 ZINC001137215592 803697874 /nfs/dbraw/zinc/69/78/74/803697874.db2.gz CMWUNEJLUGKOOY-UHFFFAOYSA-N 2 2 297.446 3.459 20 0 CGADLP c1cn2c(cccc2-c2ccc([C@H]3CCC[NH2+]3)cc2)[nH+]1 ZINC001245349113 803707838 /nfs/dbraw/zinc/70/78/38/803707838.db2.gz BVKOANJYYLSCLI-OAHLLOKOSA-N 2 2 263.344 3.426 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001137655441 803750797 /nfs/dbraw/zinc/75/07/97/803750797.db2.gz NVPAJDBSIRCPHS-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001137655441 803750800 /nfs/dbraw/zinc/75/08/00/803750800.db2.gz NVPAJDBSIRCPHS-UHFFFAOYSA-N 2 2 281.762 3.198 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CCCC[N@H+]3C)cn2)c[nH+]c1N ZINC001245537936 803795460 /nfs/dbraw/zinc/79/54/60/803795460.db2.gz MBIAVJACRKPEDR-MRXNPFEDSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1cc(-c2ccc([C@H]3CCCC[N@@H+]3C)cn2)c[nH+]c1N ZINC001245537936 803795464 /nfs/dbraw/zinc/79/54/64/803795464.db2.gz MBIAVJACRKPEDR-MRXNPFEDSA-N 2 2 282.391 3.191 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2cncs2)cc1 ZINC001138550185 803966859 /nfs/dbraw/zinc/96/68/59/803966859.db2.gz NHVFWTULDTVCGI-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2cncs2)cc1 ZINC001138550185 803966864 /nfs/dbraw/zinc/96/68/64/803966864.db2.gz NHVFWTULDTVCGI-UHFFFAOYSA-N 2 2 298.415 3.269 20 0 CGADLP CCOC(=[NH2+])c1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001245896480 804025956 /nfs/dbraw/zinc/02/59/56/804025956.db2.gz CNTWYSJDUSXWGI-UHFFFAOYSA-N 2 2 265.316 3.363 20 0 CGADLP CC[N@H+](Cc1ccc2cccnc2c1)C1CC[NH+](C)CC1 ZINC001139169635 804148662 /nfs/dbraw/zinc/14/86/62/804148662.db2.gz PYTMCCQDYPAGSN-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1ccc2cccnc2c1)C1CC[NH+](C)CC1 ZINC001139169635 804148664 /nfs/dbraw/zinc/14/86/64/804148664.db2.gz PYTMCCQDYPAGSN-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC001246167077 804183050 /nfs/dbraw/zinc/18/30/50/804183050.db2.gz BSUZFGHCBLRHAV-KSSFIOAISA-N 2 2 272.436 3.358 20 0 CGADLP Fc1ccc(-c2ccccc2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246173417 804187981 /nfs/dbraw/zinc/18/79/81/804187981.db2.gz GQSNOHIIQVLRAT-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP COc1cccc(F)c1C[NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246187065 804198903 /nfs/dbraw/zinc/19/89/03/804198903.db2.gz LJDUFNXHEVAUCY-BLLLJJGKSA-N 2 2 294.414 3.091 20 0 CGADLP FC(F)(F)c1cccc(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC001246221194 804214569 /nfs/dbraw/zinc/21/45/69/804214569.db2.gz CFWBTDQSSJKWOE-UHFFFAOYSA-N 2 2 292.732 3.200 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC[NH2+]1 ZINC001246228557 804222005 /nfs/dbraw/zinc/22/20/05/804222005.db2.gz XZTCMAULVXCKHX-BXKDBHETSA-N 2 2 290.304 3.075 20 0 CGADLP C[NH2+]CC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1Cl ZINC001246232461 804225632 /nfs/dbraw/zinc/22/56/32/804225632.db2.gz JLVHGWZZJQTCAO-SECBINFHSA-N 2 2 294.748 3.446 20 0 CGADLP c1csc(-c2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)c1 ZINC001246274829 804251647 /nfs/dbraw/zinc/25/16/47/804251647.db2.gz AWRPMJVIMRZHMT-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001246279914 804255565 /nfs/dbraw/zinc/25/55/65/804255565.db2.gz MXUCEAJXVFINKL-HOTGVXAUSA-N 2 2 264.388 3.255 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c(Cl)c1 ZINC001246282067 804256261 /nfs/dbraw/zinc/25/62/61/804256261.db2.gz AJSBTXSXFFRIPA-CZUORRHYSA-N 2 2 296.842 3.215 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C[NH2+]1 ZINC001246281965 804256788 /nfs/dbraw/zinc/25/67/88/804256788.db2.gz XUBFIGPSGNDVLQ-QAZQYGAVSA-N 2 2 294.389 3.342 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284322 804258252 /nfs/dbraw/zinc/25/82/52/804258252.db2.gz CXIWHUCUKFPYMH-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1ccc(Cl)c(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246341995 804294770 /nfs/dbraw/zinc/29/47/70/804294770.db2.gz DCBGFTDGYSOUGH-NWDGAFQWSA-N 2 2 284.806 3.060 20 0 CGADLP Clc1cc(Cl)c(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246349486 804297586 /nfs/dbraw/zinc/29/75/86/804297586.db2.gz QWMQKDCXUNJSEI-UHFFFAOYSA-N 2 2 293.625 3.488 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)cc2)C[NH2+]1 ZINC001246348591 804298379 /nfs/dbraw/zinc/29/83/79/804298379.db2.gz SFNZOKBRSSDUNL-DZGCQCFKSA-N 2 2 276.424 3.094 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C[NH2+]1 ZINC001246363296 804306029 /nfs/dbraw/zinc/30/60/29/804306029.db2.gz CPLBJHFCFMPSBW-DOMZBBRYSA-N 2 2 278.827 3.449 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C[NH2+]1 ZINC001246363299 804306120 /nfs/dbraw/zinc/30/61/20/804306120.db2.gz CPLBJHFCFMPSBW-WFASDCNBSA-N 2 2 278.827 3.449 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C)cc1C ZINC001246378527 804310896 /nfs/dbraw/zinc/31/08/96/804310896.db2.gz WKRWVHWOSDWPLJ-YQQAZPJKSA-N 2 2 260.425 3.485 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2F)CC[NH2+]1 ZINC001246377577 804312443 /nfs/dbraw/zinc/31/24/43/804312443.db2.gz HDDFIDFHQUFRIV-JMSVASOKSA-N 2 2 282.378 3.392 20 0 CGADLP Cc1cccc(C2([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CCC2)c1 ZINC001246414911 804326497 /nfs/dbraw/zinc/32/64/97/804326497.db2.gz VDBXTATZQJPSCQ-HOCLYGCPSA-N 2 2 258.409 3.104 20 0 CGADLP Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CCC2)c1 ZINC001246414909 804326638 /nfs/dbraw/zinc/32/66/38/804326638.db2.gz VDBXTATZQJPSCQ-GDBMZVCRSA-N 2 2 258.409 3.104 20 0 CGADLP Fc1cccc([C@@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246449951 804335491 /nfs/dbraw/zinc/33/54/91/804335491.db2.gz KJDKUMQAEHWJFM-JKSUJKDBSA-N 2 2 262.372 3.009 20 0 CGADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246508095 804365268 /nfs/dbraw/zinc/36/52/68/804365268.db2.gz CWSUBWVMLIRTCP-PKOBYXMFSA-N 2 2 298.430 3.306 20 0 CGADLP CCCCC[C@H](C)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246511099 804366712 /nfs/dbraw/zinc/36/67/12/804366712.db2.gz OXRGEGLSTYTSDI-XJKSGUPXSA-N 2 2 264.413 3.253 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545352 804393692 /nfs/dbraw/zinc/39/36/92/804393692.db2.gz JNBUMSSJVYEYDY-ZOWXZIJZSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545352 804393699 /nfs/dbraw/zinc/39/36/99/804393699.db2.gz JNBUMSSJVYEYDY-ZOWXZIJZSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553598 804404392 /nfs/dbraw/zinc/40/43/92/804404392.db2.gz ZIZDGYHSLKEWIU-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553598 804404397 /nfs/dbraw/zinc/40/43/97/804404397.db2.gz ZIZDGYHSLKEWIU-VQIMIIECSA-N 2 2 295.430 3.224 20 0 CGADLP c1ccc2c(c1)CCC21CCC([N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246628351 804458493 /nfs/dbraw/zinc/45/84/93/804458493.db2.gz CCZATABZRPDDDS-AILXTGBUSA-N 2 2 296.458 3.107 20 0 CGADLP c1ccc2c(c1)CCC21CCC([N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)CC1 ZINC001246628351 804458498 /nfs/dbraw/zinc/45/84/98/804458498.db2.gz CCZATABZRPDDDS-AILXTGBUSA-N 2 2 296.458 3.107 20 0 CGADLP CC(C)(C)C1CCC([N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651615 804478597 /nfs/dbraw/zinc/47/85/97/804478597.db2.gz WSDCPTKNYINYBC-HTWSVDAQSA-N 2 2 294.483 3.046 20 0 CGADLP CC(C)(C)C1CCC([N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001246651615 804478603 /nfs/dbraw/zinc/47/86/03/804478603.db2.gz WSDCPTKNYINYBC-HTWSVDAQSA-N 2 2 294.483 3.046 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639730 804481470 /nfs/dbraw/zinc/48/14/70/804481470.db2.gz NYVDAOAWBFKPPS-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639730 804481473 /nfs/dbraw/zinc/48/14/73/804481473.db2.gz NYVDAOAWBFKPPS-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639730 804481476 /nfs/dbraw/zinc/48/14/76/804481476.db2.gz NYVDAOAWBFKPPS-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc4ccccc34)C[C@H]21 ZINC001140639730 804481479 /nfs/dbraw/zinc/48/14/79/804481479.db2.gz NYVDAOAWBFKPPS-XJKSGUPXSA-N 2 2 286.444 3.427 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663322 804485305 /nfs/dbraw/zinc/48/53/05/804485305.db2.gz JGNIEDKIJSVLGX-DFBGVHRSSA-N 2 2 298.352 3.073 20 0 CGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001246663322 804485306 /nfs/dbraw/zinc/48/53/06/804485306.db2.gz JGNIEDKIJSVLGX-DFBGVHRSSA-N 2 2 298.352 3.073 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001140807280 804524511 /nfs/dbraw/zinc/52/45/11/804524511.db2.gz TUJFTZNEHOYCGK-UHFFFAOYSA-N 2 2 292.386 3.338 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829004 804540234 /nfs/dbraw/zinc/54/02/34/804540234.db2.gz HBMNRBYREHTSHJ-OSAQELSMSA-N 2 2 298.352 3.245 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C[NH2+]1 ZINC001246829004 804540240 /nfs/dbraw/zinc/54/02/40/804540240.db2.gz HBMNRBYREHTSHJ-OSAQELSMSA-N 2 2 298.352 3.245 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837478 804546142 /nfs/dbraw/zinc/54/61/42/804546142.db2.gz UNBMTMKDKPAKPZ-CVEARBPZSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC001246837478 804546148 /nfs/dbraw/zinc/54/61/48/804546148.db2.gz UNBMTMKDKPAKPZ-CVEARBPZSA-N 2 2 278.827 3.229 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864285 804567666 /nfs/dbraw/zinc/56/76/66/804567666.db2.gz SYNXLZCFNMXPBM-CVEARBPZSA-N 2 2 290.426 3.495 20 0 CGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246864285 804567671 /nfs/dbraw/zinc/56/76/71/804567671.db2.gz SYNXLZCFNMXPBM-CVEARBPZSA-N 2 2 290.426 3.495 20 0 CGADLP FC1CC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141047665 804578707 /nfs/dbraw/zinc/57/87/07/804578707.db2.gz PAEGMFCOKSRNEA-UHFFFAOYSA-N 2 2 273.355 3.048 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001246901803 804588825 /nfs/dbraw/zinc/58/88/25/804588825.db2.gz OZDLWVOLXRBAMX-BXUZGUMPSA-N 2 2 268.351 3.100 20 0 CGADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001246901803 804588829 /nfs/dbraw/zinc/58/88/29/804588829.db2.gz OZDLWVOLXRBAMX-BXUZGUMPSA-N 2 2 268.351 3.100 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH+]2C3CCCC2CCC3)CC[NH2+]1 ZINC001246905151 804589716 /nfs/dbraw/zinc/58/97/16/804589716.db2.gz LGEORZVJDWMKHB-CKUJCDMFSA-N 2 2 250.430 3.170 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001141233936 804619495 /nfs/dbraw/zinc/61/94/95/804619495.db2.gz XABZANRBXHOSPU-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001141233936 804619497 /nfs/dbraw/zinc/61/94/97/804619497.db2.gz XABZANRBXHOSPU-GDBMZVCRSA-N 2 2 278.827 3.032 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)c(C)c3)C[C@H]2C1 ZINC001141237415 804620491 /nfs/dbraw/zinc/62/04/91/804620491.db2.gz SPRULPBENXHGAW-HZPDHXFCSA-N 2 2 292.854 3.422 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977408 804624158 /nfs/dbraw/zinc/62/41/58/804624158.db2.gz HIAFDWTWRWTOAT-LUKYLMHMSA-N 2 2 276.468 3.418 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@@H]21 ZINC001246977408 804624162 /nfs/dbraw/zinc/62/41/62/804624162.db2.gz HIAFDWTWRWTOAT-LUKYLMHMSA-N 2 2 276.468 3.418 20 0 CGADLP CCCCc1ccc2[nH]c(CC3CC[NH2+]CC3)[nH+]c2c1 ZINC001247012646 804641939 /nfs/dbraw/zinc/64/19/39/804641939.db2.gz QKFXNNPHGQXJLW-UHFFFAOYSA-N 2 2 271.408 3.448 20 0 CGADLP Cc1ccc2c(c1)[nH+]c(CCCC[NH3+])n2CC(C)C ZINC001247045220 804651897 /nfs/dbraw/zinc/65/18/97/804651897.db2.gz ACLPVXFBFHUDMZ-UHFFFAOYSA-N 2 2 259.397 3.282 20 0 CGADLP CC(C)Oc1cc(NCC[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC001165277841 806984613 /nfs/dbraw/zinc/98/46/13/806984613.db2.gz AOOKRMPJUOKQEQ-CQSZACIVSA-N 2 2 277.412 3.013 20 0 CGADLP CC(C)Oc1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC001165277841 806984616 /nfs/dbraw/zinc/98/46/16/806984616.db2.gz AOOKRMPJUOKQEQ-CQSZACIVSA-N 2 2 277.412 3.013 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](CC)CCC[NH+](C)C ZINC001250187539 805475334 /nfs/dbraw/zinc/47/53/34/805475334.db2.gz OXDUTZXSLANGOX-UHFFFAOYSA-N 2 2 278.440 3.167 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](CC)CCC[NH+](C)C ZINC001250187539 805475336 /nfs/dbraw/zinc/47/53/36/805475336.db2.gz OXDUTZXSLANGOX-UHFFFAOYSA-N 2 2 278.440 3.167 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](CC)CCn1cc[nH+]c1 ZINC001250188215 805476426 /nfs/dbraw/zinc/47/64/26/805476426.db2.gz VPPYXLCHEMGCIR-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001250188215 805476433 /nfs/dbraw/zinc/47/64/33/805476433.db2.gz VPPYXLCHEMGCIR-UHFFFAOYSA-N 2 2 287.407 3.112 20 0 CGADLP Cc1cc(Cl)c(C)c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]1 ZINC001155026431 805526344 /nfs/dbraw/zinc/52/63/44/805526344.db2.gz SWKZQJJELPTASC-GWCFXTLKSA-N 2 2 281.831 3.399 20 0 CGADLP CCSc1cc[nH+]c(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1 ZINC001155029376 805526697 /nfs/dbraw/zinc/52/66/97/805526697.db2.gz KXRVBIHLOZZWDN-QWHCGFSZSA-N 2 2 279.453 3.241 20 0 CGADLP CCC[C@H](CC)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257258208 807073409 /nfs/dbraw/zinc/07/34/09/807073409.db2.gz DGJIYNUXLJHREI-JZXOWHBKSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001257258208 807073416 /nfs/dbraw/zinc/07/34/16/807073416.db2.gz DGJIYNUXLJHREI-JZXOWHBKSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257258208 807073421 /nfs/dbraw/zinc/07/34/21/807073421.db2.gz DGJIYNUXLJHREI-JZXOWHBKSA-N 2 2 287.451 3.024 20 0 CGADLP CCC[C@H](CC)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001257258208 807073428 /nfs/dbraw/zinc/07/34/28/807073428.db2.gz DGJIYNUXLJHREI-JZXOWHBKSA-N 2 2 287.451 3.024 20 0 CGADLP CCC(CC)[NH2+]C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001257291956 807088803 /nfs/dbraw/zinc/08/88/03/807088803.db2.gz PXPRZUIHAUSWPE-UHFFFAOYSA-N 2 2 290.451 3.438 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257316678 807103669 /nfs/dbraw/zinc/10/36/69/807103669.db2.gz HXNMTXGJHSVDIE-SZMVWBNQSA-N 2 2 290.451 3.054 20 0 CGADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001257316678 807103673 /nfs/dbraw/zinc/10/36/73/807103673.db2.gz HXNMTXGJHSVDIE-SZMVWBNQSA-N 2 2 290.451 3.054 20 0 CGADLP CCCCC[C@H](C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001257514052 807188331 /nfs/dbraw/zinc/18/83/31/807188331.db2.gz ARXHSCQSTCDDDC-KRWDZBQOSA-N 3 2 285.520 3.161 20 0 CGADLP Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)c[nH+]c1C ZINC001167753492 807241510 /nfs/dbraw/zinc/24/15/10/807241510.db2.gz OVZSSWDCCUZFNI-CQSZACIVSA-N 2 2 261.413 3.375 20 0 CGADLP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c[nH+]c1C ZINC001167753492 807241511 /nfs/dbraw/zinc/24/15/11/807241511.db2.gz OVZSSWDCCUZFNI-CQSZACIVSA-N 2 2 261.413 3.375 20 0 CGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3cn2)CC1 ZINC001258002777 807263298 /nfs/dbraw/zinc/26/32/98/807263298.db2.gz CZHGZNWKDBCUKN-UHFFFAOYSA-N 2 2 297.446 3.445 20 0 CGADLP CC(C)=CCC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001258088736 807299856 /nfs/dbraw/zinc/29/98/56/807299856.db2.gz OJOAHRHBXDTIPR-ZDUSSCGKSA-N 2 2 261.413 3.187 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001168192179 807342965 /nfs/dbraw/zinc/34/29/65/807342965.db2.gz NRXLBPIDWQYFGY-UKPHBRMFSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001168192179 807342973 /nfs/dbraw/zinc/34/29/73/807342973.db2.gz NRXLBPIDWQYFGY-UKPHBRMFSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001168192179 807342982 /nfs/dbraw/zinc/34/29/82/807342982.db2.gz NRXLBPIDWQYFGY-UKPHBRMFSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001168192179 807342991 /nfs/dbraw/zinc/34/29/91/807342991.db2.gz NRXLBPIDWQYFGY-UKPHBRMFSA-N 2 2 292.854 3.297 20 0 CGADLP CC1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001168199319 807344543 /nfs/dbraw/zinc/34/45/43/807344543.db2.gz PDHTWIUBZXDWQU-UHFFFAOYSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@H](Cc1ccco1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258181694 807345661 /nfs/dbraw/zinc/34/56/61/807345661.db2.gz GIEOGPWMFXKVOK-BZUAXINKSA-N 2 2 299.418 3.382 20 0 CGADLP CCCC[C@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001258701361 807555003 /nfs/dbraw/zinc/55/50/03/807555003.db2.gz HOLYYRFKXAMSCJ-MRXNPFEDSA-N 2 2 271.408 3.358 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC001169049391 807559750 /nfs/dbraw/zinc/55/97/50/807559750.db2.gz GTSHFVRWTYSQJV-QGZVFWFLSA-N 2 2 271.408 3.130 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001169049763 807560225 /nfs/dbraw/zinc/56/02/25/807560225.db2.gz KMEQQSLBGJOQQS-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001169049763 807560232 /nfs/dbraw/zinc/56/02/32/807560232.db2.gz KMEQQSLBGJOQQS-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001169129940 807584547 /nfs/dbraw/zinc/58/45/47/807584547.db2.gz MIQWGAIXKSTRGY-WDNDVIMCSA-N 2 2 284.394 3.123 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)(F)C3)CC1)C2 ZINC001169129940 807584551 /nfs/dbraw/zinc/58/45/51/807584551.db2.gz MIQWGAIXKSTRGY-WDNDVIMCSA-N 2 2 284.394 3.123 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169137561 807586807 /nfs/dbraw/zinc/58/68/07/807586807.db2.gz CVPBXDISBZKSME-FICVDOATSA-N 2 2 278.827 3.397 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169137561 807586813 /nfs/dbraw/zinc/58/68/13/807586813.db2.gz CVPBXDISBZKSME-FICVDOATSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169137561 807586821 /nfs/dbraw/zinc/58/68/21/807586821.db2.gz CVPBXDISBZKSME-FICVDOATSA-N 2 2 278.827 3.397 20 0 CGADLP C[NH+](Cc1ccccc1Cl)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169137561 807586827 /nfs/dbraw/zinc/58/68/27/807586827.db2.gz CVPBXDISBZKSME-FICVDOATSA-N 2 2 278.827 3.397 20 0 CGADLP CCCC[C@H](CCC)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258764230 807600375 /nfs/dbraw/zinc/60/03/75/807600375.db2.gz MLCLXHHEYNXGCY-IRXDYDNUSA-N 2 2 282.472 3.142 20 0 CGADLP CCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001258764230 807600379 /nfs/dbraw/zinc/60/03/79/807600379.db2.gz MLCLXHHEYNXGCY-IRXDYDNUSA-N 2 2 282.472 3.142 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2COc3cc(Cl)ccc32)CC1 ZINC001258770003 807603576 /nfs/dbraw/zinc/60/35/76/807603576.db2.gz CAIGRIMLUCCMCR-HNNXBMFYSA-N 2 2 294.826 3.238 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001169241210 807613151 /nfs/dbraw/zinc/61/31/51/807613151.db2.gz JVWHSLABHYXMIK-OAHLLOKOSA-N 2 2 293.842 3.260 20 0 CGADLP CC[NH+]1CCC([N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001169258754 807616341 /nfs/dbraw/zinc/61/63/41/807616341.db2.gz QFVXCSOOUFWNDA-QGZVFWFLSA-N 2 2 290.476 3.261 20 0 CGADLP CC[NH+]1CCC([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001169258754 807616344 /nfs/dbraw/zinc/61/63/44/807616344.db2.gz QFVXCSOOUFWNDA-QGZVFWFLSA-N 2 2 290.476 3.261 20 0 CGADLP C[C@H]1CCC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258828196 807642578 /nfs/dbraw/zinc/64/25/78/807642578.db2.gz JKAAVZPOBBUIMW-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)Cc1ccccc1 ZINC001258838467 807651242 /nfs/dbraw/zinc/65/12/42/807651242.db2.gz YSESQUPXEKMBKL-KRWDZBQOSA-N 2 2 262.441 3.329 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)Cc1ccccc1 ZINC001258838467 807651243 /nfs/dbraw/zinc/65/12/43/807651243.db2.gz YSESQUPXEKMBKL-KRWDZBQOSA-N 2 2 262.441 3.329 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169568628 807668187 /nfs/dbraw/zinc/66/81/87/807668187.db2.gz DXRYOQLTFVWYTD-OAHLLOKOSA-N 2 2 275.440 3.395 20 0 CGADLP c1coc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC001261252231 807720981 /nfs/dbraw/zinc/72/09/81/807720981.db2.gz CTKNEWGSIWPNRF-JJTKIYQPSA-N 2 2 296.414 3.280 20 0 CGADLP c1coc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC001261252231 807720985 /nfs/dbraw/zinc/72/09/85/807720985.db2.gz CTKNEWGSIWPNRF-JJTKIYQPSA-N 2 2 296.414 3.280 20 0 CGADLP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137962 807772657 /nfs/dbraw/zinc/77/26/57/807772657.db2.gz QJVDUJQRZHFTQC-WZGPROSRSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137962 807772662 /nfs/dbraw/zinc/77/26/62/807772662.db2.gz QJVDUJQRZHFTQC-WZGPROSRSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137962 807772666 /nfs/dbraw/zinc/77/26/66/807772666.db2.gz QJVDUJQRZHFTQC-WZGPROSRSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001170137962 807772668 /nfs/dbraw/zinc/77/26/68/807772668.db2.gz QJVDUJQRZHFTQC-WZGPROSRSA-N 2 2 299.462 3.024 20 0 CGADLP CC(C)c1nc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC001261892194 807799257 /nfs/dbraw/zinc/79/92/57/807799257.db2.gz ZVSJCMBCYMGATN-LBPRGKRZSA-N 2 2 281.469 3.134 20 0 CGADLP CC(C)c1nc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC001261892193 807799389 /nfs/dbraw/zinc/79/93/89/807799389.db2.gz ZVSJCMBCYMGATN-GFCCVEGCSA-N 2 2 281.469 3.134 20 0 CGADLP CCCCCC[C@@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001170592657 807864075 /nfs/dbraw/zinc/86/40/75/807864075.db2.gz LMPMLIZTQDBWIS-CQSZACIVSA-N 2 2 251.418 3.301 20 0 CGADLP Cc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c[nH+]c1C ZINC001170627437 807868252 /nfs/dbraw/zinc/86/82/52/807868252.db2.gz QXVWLFXNGBXOIX-UHFFFAOYSA-N 2 2 299.462 3.432 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171092464 807981363 /nfs/dbraw/zinc/98/13/63/807981363.db2.gz YPNFFHGOEXRHGZ-SJORKVTESA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171092464 807981366 /nfs/dbraw/zinc/98/13/66/807981366.db2.gz YPNFFHGOEXRHGZ-SJORKVTESA-N 2 2 292.854 3.271 20 0 CGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171095806 807982926 /nfs/dbraw/zinc/98/29/26/807982926.db2.gz RJTJQCFQKPSJIK-DYVFJYSZSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001171665063 808116727 /nfs/dbraw/zinc/11/67/27/808116727.db2.gz FYJRBYFOSBAJPY-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC001171665063 808116731 /nfs/dbraw/zinc/11/67/31/808116731.db2.gz FYJRBYFOSBAJPY-APWZRJJASA-N 2 2 286.463 3.390 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172100203 808172280 /nfs/dbraw/zinc/17/22/80/808172280.db2.gz AWOSEUFRHXRONC-ZSOGYDGISA-N 2 2 294.389 3.378 20 0 CGADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172100203 808172283 /nfs/dbraw/zinc/17/22/83/808172283.db2.gz AWOSEUFRHXRONC-ZSOGYDGISA-N 2 2 294.389 3.378 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172371872 808267131 /nfs/dbraw/zinc/26/71/31/808267131.db2.gz BGDCZCAAROUVFO-IIAWOOMASA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172371872 808267136 /nfs/dbraw/zinc/26/71/36/808267136.db2.gz BGDCZCAAROUVFO-IIAWOOMASA-N 2 2 252.446 3.227 20 0 CGADLP c1ccc(CC2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001172817667 808444960 /nfs/dbraw/zinc/44/49/60/808444960.db2.gz ZNXVKHZFDDTVDF-UHFFFAOYSA-N 2 2 286.463 3.473 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001172832631 808451097 /nfs/dbraw/zinc/45/10/97/808451097.db2.gz SLYFOYRRUYKDSN-RBUKOAKNSA-N 2 2 298.474 3.459 20 0 CGADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001172832631 808451100 /nfs/dbraw/zinc/45/11/00/808451100.db2.gz SLYFOYRRUYKDSN-RBUKOAKNSA-N 2 2 298.474 3.459 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172840709 808455146 /nfs/dbraw/zinc/45/51/46/808455146.db2.gz FMXRVXVXZNNPGH-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172840709 808455147 /nfs/dbraw/zinc/45/51/47/808455147.db2.gz FMXRVXVXZNNPGH-NWDGAFQWSA-N 2 2 284.806 3.094 20 0 CGADLP CC(C)[N@H+](CC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874945 808472058 /nfs/dbraw/zinc/47/20/58/808472058.db2.gz JMIAKFIPNRSOHM-LBPRGKRZSA-N 2 2 286.872 3.490 20 0 CGADLP CC(C)[N@@H+](CC[NH3+])[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874945 808472062 /nfs/dbraw/zinc/47/20/62/808472062.db2.gz JMIAKFIPNRSOHM-LBPRGKRZSA-N 2 2 286.872 3.490 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001173094474 808507069 /nfs/dbraw/zinc/50/70/69/808507069.db2.gz ZLMSLEFHLCTWFP-CGZBRXJRSA-N 2 2 282.472 3.044 20 0 CGADLP CCCOC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001173094474 808507077 /nfs/dbraw/zinc/50/70/77/808507077.db2.gz ZLMSLEFHLCTWFP-CGZBRXJRSA-N 2 2 282.472 3.044 20 0 CGADLP c1cn(CCC[NH2+]C2CCC(Oc3ccccc3)CC2)c[nH+]1 ZINC001173193452 808534000 /nfs/dbraw/zinc/53/40/00/808534000.db2.gz PSMCFOUDXLLXSL-UHFFFAOYSA-N 2 2 299.418 3.253 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC001173242899 808550704 /nfs/dbraw/zinc/55/07/04/808550704.db2.gz YIHOSQZZXCXMNU-APWZRJJASA-N 2 2 288.479 3.500 20 0 CGADLP CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC001173242899 808550712 /nfs/dbraw/zinc/55/07/12/808550712.db2.gz YIHOSQZZXCXMNU-APWZRJJASA-N 2 2 288.479 3.500 20 0 CGADLP CCSC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001173302714 808600312 /nfs/dbraw/zinc/60/03/12/808600312.db2.gz TWLMAZIFUDSPQW-LBPRGKRZSA-N 2 2 275.421 3.323 20 0 CGADLP C[NH+]1CC(C[NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001173342482 808621750 /nfs/dbraw/zinc/62/17/50/808621750.db2.gz ZKENERMNIREJLJ-OAHLLOKOSA-N 2 2 250.430 3.031 20 0 CGADLP C[NH+](C)C[C@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347092 808624503 /nfs/dbraw/zinc/62/45/03/808624503.db2.gz WVCBPOGQPIOEEX-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+](C)C[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1 ZINC001173347092 808624510 /nfs/dbraw/zinc/62/45/10/808624510.db2.gz WVCBPOGQPIOEEX-SJORKVTESA-N 2 2 294.483 3.142 20 0 CGADLP C[NH+](C)Cc1ccccc1Nc1[nH+]cccc1N1CCCC1 ZINC001173929002 808767884 /nfs/dbraw/zinc/76/78/84/808767884.db2.gz ROCTYFNJQSAVPF-UHFFFAOYSA-N 2 2 296.418 3.487 20 0 CGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504608 808942149 /nfs/dbraw/zinc/94/21/49/808942149.db2.gz FIUBLQJWXKINAJ-GOSISDBHSA-N 2 2 299.418 3.136 20 0 CGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504608 808942159 /nfs/dbraw/zinc/94/21/59/808942159.db2.gz FIUBLQJWXKINAJ-GOSISDBHSA-N 2 2 299.418 3.136 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504608 808942165 /nfs/dbraw/zinc/94/21/65/808942165.db2.gz FIUBLQJWXKINAJ-GOSISDBHSA-N 2 2 299.418 3.136 20 0 CGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc4ccoc4cn3)C2)C1 ZINC001275504608 808942174 /nfs/dbraw/zinc/94/21/74/808942174.db2.gz FIUBLQJWXKINAJ-GOSISDBHSA-N 2 2 299.418 3.136 20 0 CGADLP c1cncc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275885986 808973545 /nfs/dbraw/zinc/97/35/45/808973545.db2.gz RMUONZYPBLCIPM-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001275885986 808973548 /nfs/dbraw/zinc/97/35/48/808973548.db2.gz RMUONZYPBLCIPM-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001275885986 808973554 /nfs/dbraw/zinc/97/35/54/808973554.db2.gz RMUONZYPBLCIPM-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1cncc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001275885986 808973558 /nfs/dbraw/zinc/97/35/58/808973558.db2.gz RMUONZYPBLCIPM-IBGZPJMESA-N 2 2 299.462 3.312 20 0 CGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccoc2)C3)c1 ZINC001275943275 808977923 /nfs/dbraw/zinc/97/79/23/808977923.db2.gz FQWCQHUJQAAUID-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccoc2)C3)c1 ZINC001275943275 808977925 /nfs/dbraw/zinc/97/79/25/808977925.db2.gz FQWCQHUJQAAUID-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)c1 ZINC001275943275 808977929 /nfs/dbraw/zinc/97/79/29/808977929.db2.gz FQWCQHUJQAAUID-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)c1 ZINC001275943275 808977932 /nfs/dbraw/zinc/97/79/32/808977932.db2.gz FQWCQHUJQAAUID-GOSISDBHSA-N 2 2 299.418 3.096 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1Cl ZINC001276132750 808989358 /nfs/dbraw/zinc/98/93/58/808989358.db2.gz XMGQTONFCBZDKC-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1Cl ZINC001276132750 808989360 /nfs/dbraw/zinc/98/93/60/808989360.db2.gz XMGQTONFCBZDKC-AGUYFDCRSA-N 2 2 294.826 3.063 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276243969 808995546 /nfs/dbraw/zinc/99/55/46/808995546.db2.gz NQHVPPDEHMIHCO-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276243969 808995552 /nfs/dbraw/zinc/99/55/52/808995552.db2.gz NQHVPPDEHMIHCO-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276243969 808995559 /nfs/dbraw/zinc/99/55/59/808995559.db2.gz NQHVPPDEHMIHCO-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276243969 808995562 /nfs/dbraw/zinc/99/55/62/808995562.db2.gz NQHVPPDEHMIHCO-GOSISDBHSA-N 2 2 290.426 3.442 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001176289667 809662551 /nfs/dbraw/zinc/66/25/51/809662551.db2.gz NXQBDMQIWGQJCJ-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP C[NH+](C)Cc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001176292354 809663126 /nfs/dbraw/zinc/66/31/26/809663126.db2.gz PUCACYMTNMOANN-UHFFFAOYSA-N 2 2 266.348 3.140 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCCc2ccccc2C1)C1CC1 ZINC001177594177 809811958 /nfs/dbraw/zinc/81/19/58/809811958.db2.gz BMDLKDNEMCSRFO-QGZVFWFLSA-N 2 2 272.436 3.008 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCc2ccccc2C1)C1CC1 ZINC001177594177 809811962 /nfs/dbraw/zinc/81/19/62/809811962.db2.gz BMDLKDNEMCSRFO-QGZVFWFLSA-N 2 2 272.436 3.008 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)[NH+](C)C)c(C)c1 ZINC001177737824 809818142 /nfs/dbraw/zinc/81/81/42/809818142.db2.gz URDOONDYOBEBKW-XITLMJRVSA-N 2 2 260.425 3.165 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001183146351 810137935 /nfs/dbraw/zinc/13/79/35/810137935.db2.gz TZMWLXBXVDQVTH-QXSJWSMHSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001183146351 810137936 /nfs/dbraw/zinc/13/79/36/810137936.db2.gz TZMWLXBXVDQVTH-QXSJWSMHSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001183146349 810137972 /nfs/dbraw/zinc/13/79/72/810137972.db2.gz TZMWLXBXVDQVTH-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001183146349 810137973 /nfs/dbraw/zinc/13/79/73/810137973.db2.gz TZMWLXBXVDQVTH-FPCVCCKLSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC001184153227 810179280 /nfs/dbraw/zinc/17/92/80/810179280.db2.gz CIUPMDIXCVCXDU-IMRCBTMISA-N 2 2 294.389 3.285 20 0 CGADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC001184153227 810179281 /nfs/dbraw/zinc/17/92/81/810179281.db2.gz CIUPMDIXCVCXDU-IMRCBTMISA-N 2 2 294.389 3.285 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C2CCC2)CC1 ZINC001200837557 811752331 /nfs/dbraw/zinc/75/23/31/811752331.db2.gz BYTBPSGFHRRJGH-ODIFPOPNSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(C2CCC2)CC1 ZINC001200837557 811752335 /nfs/dbraw/zinc/75/23/35/811752335.db2.gz BYTBPSGFHRRJGH-ODIFPOPNSA-N 2 2 264.457 3.419 20 0 CGADLP CCCC[C@@H](CC)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201566398 811907090 /nfs/dbraw/zinc/90/70/90/811907090.db2.gz SVVMYYUEABZWIO-MRXNPFEDSA-N 2 2 284.488 3.245 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201566398 811907093 /nfs/dbraw/zinc/90/70/93/811907093.db2.gz SVVMYYUEABZWIO-MRXNPFEDSA-N 2 2 284.488 3.245 20 0 CGADLP CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731353 811950053 /nfs/dbraw/zinc/95/00/53/811950053.db2.gz PMOBGYFUGNLZPE-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201731353 811950059 /nfs/dbraw/zinc/95/00/59/811950059.db2.gz PMOBGYFUGNLZPE-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201731353 811950064 /nfs/dbraw/zinc/95/00/64/811950064.db2.gz PMOBGYFUGNLZPE-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201731353 811950069 /nfs/dbraw/zinc/95/00/69/811950069.db2.gz PMOBGYFUGNLZPE-GJZGRUSLSA-N 2 2 293.480 3.230 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC001203243403 812278703 /nfs/dbraw/zinc/27/87/03/812278703.db2.gz KNFNYKRGVDSKOR-UKRRQHHQSA-N 2 2 261.413 3.435 20 0 CGADLP CCc1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC001203243403 812278713 /nfs/dbraw/zinc/27/87/13/812278713.db2.gz KNFNYKRGVDSKOR-UKRRQHHQSA-N 2 2 261.413 3.435 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC001203243402 812279014 /nfs/dbraw/zinc/27/90/14/812279014.db2.gz KNFNYKRGVDSKOR-HIFRSBDPSA-N 2 2 261.413 3.435 20 0 CGADLP CCc1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC001203243402 812279017 /nfs/dbraw/zinc/27/90/17/812279017.db2.gz KNFNYKRGVDSKOR-HIFRSBDPSA-N 2 2 261.413 3.435 20 0 CGADLP CC[N@H+](Cc1ccc(OC)c(C)c1C)C1CC[NH+](C)CC1 ZINC001203724076 812441627 /nfs/dbraw/zinc/44/16/27/812441627.db2.gz AATVLRNRXRRAPA-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+](Cc1ccc(OC)c(C)c1C)C1CC[NH+](C)CC1 ZINC001203724076 812441628 /nfs/dbraw/zinc/44/16/28/812441628.db2.gz AATVLRNRXRRAPA-UHFFFAOYSA-N 2 2 290.451 3.228 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001204181838 812569113 /nfs/dbraw/zinc/56/91/13/812569113.db2.gz BEQDHTBJHRRGFV-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001204181838 812569118 /nfs/dbraw/zinc/56/91/18/812569118.db2.gz BEQDHTBJHRRGFV-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001204181838 812569124 /nfs/dbraw/zinc/56/91/24/812569124.db2.gz BEQDHTBJHRRGFV-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]2C1 ZINC001204181838 812569125 /nfs/dbraw/zinc/56/91/25/812569125.db2.gz BEQDHTBJHRRGFV-YPMHNXCESA-N 2 2 299.245 3.377 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2C)CC1 ZINC001204511958 812660536 /nfs/dbraw/zinc/66/05/36/812660536.db2.gz CLQMZQTVUWLMRD-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2C)CC1 ZINC001204511958 812660541 /nfs/dbraw/zinc/66/05/41/812660541.db2.gz CLQMZQTVUWLMRD-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP C[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001204699190 812710832 /nfs/dbraw/zinc/71/08/32/812710832.db2.gz HCJZLGZIYBAOFZ-UHFFFAOYSA-N 2 2 276.330 3.022 20 0 CGADLP C[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001204699190 812710835 /nfs/dbraw/zinc/71/08/35/812710835.db2.gz HCJZLGZIYBAOFZ-UHFFFAOYSA-N 2 2 276.330 3.022 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204801999 812739873 /nfs/dbraw/zinc/73/98/73/812739873.db2.gz ZCTLLEWDJYLBJQ-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204801999 812739881 /nfs/dbraw/zinc/73/98/81/812739881.db2.gz ZCTLLEWDJYLBJQ-LJQANCHMSA-N 2 2 296.414 3.285 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204808366 812743792 /nfs/dbraw/zinc/74/37/92/812743792.db2.gz AXZXTABAOCMVPO-QGZVFWFLSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204808366 812743798 /nfs/dbraw/zinc/74/37/98/812743798.db2.gz AXZXTABAOCMVPO-QGZVFWFLSA-N 2 2 276.424 3.014 20 0 CGADLP Clc1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001204854236 812754797 /nfs/dbraw/zinc/75/47/97/812754797.db2.gz JFYILDKTYDMQPI-MRXNPFEDSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1ccc2c(c1)C[N@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001204854236 812754801 /nfs/dbraw/zinc/75/48/01/812754801.db2.gz JFYILDKTYDMQPI-MRXNPFEDSA-N 2 2 278.827 3.230 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H]([NH3+])C3)ccc21 ZINC001204877408 812761045 /nfs/dbraw/zinc/76/10/45/812761045.db2.gz IMTOYFAIVHTXQN-HNNXBMFYSA-N 2 2 293.414 3.255 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@H]([NH3+])C3)ccc21 ZINC001204877408 812761050 /nfs/dbraw/zinc/76/10/50/812761050.db2.gz IMTOYFAIVHTXQN-HNNXBMFYSA-N 2 2 293.414 3.255 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925437 812778104 /nfs/dbraw/zinc/77/81/04/812778104.db2.gz SLYLVXQADFIMRK-QGZVFWFLSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925437 812778109 /nfs/dbraw/zinc/77/81/09/812778109.db2.gz SLYLVXQADFIMRK-QGZVFWFLSA-N 2 2 281.403 3.062 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204945066 812791210 /nfs/dbraw/zinc/79/12/10/812791210.db2.gz FCNPIPSYFZMMSO-SFHVURJKSA-N 2 2 290.451 3.404 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204945066 812791214 /nfs/dbraw/zinc/79/12/14/812791214.db2.gz FCNPIPSYFZMMSO-SFHVURJKSA-N 2 2 290.451 3.404 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001205319064 812952500 /nfs/dbraw/zinc/95/25/00/812952500.db2.gz YDMROYAEVVHZDQ-JSGCOSHPSA-N 2 2 295.858 3.275 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)n1 ZINC001205319064 812952505 /nfs/dbraw/zinc/95/25/05/812952505.db2.gz YDMROYAEVVHZDQ-JSGCOSHPSA-N 2 2 295.858 3.275 20 0 CGADLP COc1ccc2oc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205815588 813091699 /nfs/dbraw/zinc/09/16/99/813091699.db2.gz HRPSQYRRIOOABK-OCCSQVGLSA-N 2 2 288.391 3.001 20 0 CGADLP COc1ccc2oc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2c1 ZINC001205815588 813091709 /nfs/dbraw/zinc/09/17/09/813091709.db2.gz HRPSQYRRIOOABK-OCCSQVGLSA-N 2 2 288.391 3.001 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814529 813092940 /nfs/dbraw/zinc/09/29/40/813092940.db2.gz CLSJFEVLGCTKCK-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001205814529 813092947 /nfs/dbraw/zinc/09/29/47/813092947.db2.gz CLSJFEVLGCTKCK-YJBOKZPZSA-N 2 2 295.430 3.308 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])s1 ZINC001205816318 813093124 /nfs/dbraw/zinc/09/31/24/813093124.db2.gz LTUCXOSKGRPNDI-OLZOCXBDSA-N 2 2 266.454 3.260 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])s1 ZINC001205816318 813093128 /nfs/dbraw/zinc/09/31/28/813093128.db2.gz LTUCXOSKGRPNDI-OLZOCXBDSA-N 2 2 266.454 3.260 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829967 813100802 /nfs/dbraw/zinc/10/08/02/813100802.db2.gz QDTXNFPZYLFIFA-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829967 813100803 /nfs/dbraw/zinc/10/08/03/813100803.db2.gz QDTXNFPZYLFIFA-SMDDNHRTSA-N 2 2 268.351 3.183 20 0 CGADLP Oc1cccc2c1CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205925657 813136901 /nfs/dbraw/zinc/13/69/01/813136901.db2.gz XUPNKRSEBHQTME-UHFFFAOYSA-N 2 2 288.435 3.063 20 0 CGADLP Oc1cccc2c1CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001205925657 813136902 /nfs/dbraw/zinc/13/69/02/813136902.db2.gz XUPNKRSEBHQTME-UHFFFAOYSA-N 2 2 288.435 3.063 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931272 813138797 /nfs/dbraw/zinc/13/87/97/813138797.db2.gz ILYOXPOINCVKAP-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)cc1 ZINC001205931272 813138802 /nfs/dbraw/zinc/13/88/02/813138802.db2.gz ILYOXPOINCVKAP-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@@H]1F ZINC001206163916 813220625 /nfs/dbraw/zinc/22/06/25/813220625.db2.gz HWCDGRDWRULURD-KBPBESRZSA-N 2 2 295.789 3.083 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)CC[C@@H]1F ZINC001206163916 813220630 /nfs/dbraw/zinc/22/06/30/813220630.db2.gz HWCDGRDWRULURD-KBPBESRZSA-N 2 2 295.789 3.083 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Cl ZINC001206210517 813241515 /nfs/dbraw/zinc/24/15/15/813241515.db2.gz KOBSJIVVONGQBN-CHWSQXEVSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Cl ZINC001206210517 813241524 /nfs/dbraw/zinc/24/15/24/813241524.db2.gz KOBSJIVVONGQBN-CHWSQXEVSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262988 813261932 /nfs/dbraw/zinc/26/19/32/813261932.db2.gz KUQZJSBOLAPZSA-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206262988 813261935 /nfs/dbraw/zinc/26/19/35/813261935.db2.gz KUQZJSBOLAPZSA-ZDUSSCGKSA-N 2 2 266.816 3.141 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001206263166 813262197 /nfs/dbraw/zinc/26/21/97/813262197.db2.gz PKRRIXRYYIEYHS-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001206263166 813262200 /nfs/dbraw/zinc/26/22/00/813262200.db2.gz PKRRIXRYYIEYHS-AWEZNQCLSA-N 2 2 299.393 3.072 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccsc2Cl)C1 ZINC001206566220 813356111 /nfs/dbraw/zinc/35/61/11/813356111.db2.gz YMMLTZJPDDHZEM-ZDUSSCGKSA-N 2 2 272.845 3.352 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccsc2Cl)C1 ZINC001206566220 813356117 /nfs/dbraw/zinc/35/61/17/813356117.db2.gz YMMLTZJPDDHZEM-ZDUSSCGKSA-N 2 2 272.845 3.352 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CS1 ZINC001206661049 813390712 /nfs/dbraw/zinc/39/07/12/813390712.db2.gz NPCKUAUCCDRUSQ-JYJNAYRXSA-N 2 2 284.513 3.227 20 0 CGADLP CC1(C[NH3+])C[NH+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001206717652 813407087 /nfs/dbraw/zinc/40/70/87/813407087.db2.gz BVMOHGWWJTVIJG-UHFFFAOYSA-N 2 2 296.414 3.046 20 0 CGADLP Cc1ccnc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001206854077 813453961 /nfs/dbraw/zinc/45/39/61/813453961.db2.gz ORDUJHHMWLBNDU-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ccnc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001206854077 813453966 /nfs/dbraw/zinc/45/39/66/813453966.db2.gz ORDUJHHMWLBNDU-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1cncc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001207163536 813501645 /nfs/dbraw/zinc/50/16/45/813501645.db2.gz YIYSRJWHDLLAQW-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP Cc1cncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001207163536 813501651 /nfs/dbraw/zinc/50/16/51/813501651.db2.gz YIYSRJWHDLLAQW-UHFFFAOYSA-N 2 2 287.451 3.229 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)CCC1CCCCC1 ZINC001207263228 813524792 /nfs/dbraw/zinc/52/47/92/813524792.db2.gz WWVDCVGLHHHWEZ-UHFFFAOYSA-N 3 2 297.531 3.162 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597551 813606276 /nfs/dbraw/zinc/60/62/76/813606276.db2.gz KZPXYFUHCRTVGH-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597551 813606284 /nfs/dbraw/zinc/60/62/84/813606284.db2.gz KZPXYFUHCRTVGH-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597551 813606289 /nfs/dbraw/zinc/60/62/89/813606289.db2.gz KZPXYFUHCRTVGH-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597551 813606296 /nfs/dbraw/zinc/60/62/96/813606296.db2.gz KZPXYFUHCRTVGH-WBVHZDCISA-N 2 2 292.854 3.299 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597549 813606664 /nfs/dbraw/zinc/60/66/64/813606664.db2.gz KZPXYFUHCRTVGH-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597549 813606668 /nfs/dbraw/zinc/60/66/68/813606668.db2.gz KZPXYFUHCRTVGH-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597549 813606674 /nfs/dbraw/zinc/60/66/74/813606674.db2.gz KZPXYFUHCRTVGH-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@H]21 ZINC001207597549 813606682 /nfs/dbraw/zinc/60/66/82/813606682.db2.gz KZPXYFUHCRTVGH-NVXWUHKLSA-N 2 2 292.854 3.299 20 0 CGADLP CC[N@H+](CCCCc1ccccc1)CCn1cc[nH+]c1 ZINC001207614720 813614793 /nfs/dbraw/zinc/61/47/93/813614793.db2.gz AAUDPOIQRCOYRV-UHFFFAOYSA-N 2 2 271.408 3.228 20 0 CGADLP CC[N@@H+](CCCCc1ccccc1)CCn1cc[nH+]c1 ZINC001207614720 813614798 /nfs/dbraw/zinc/61/47/98/813614798.db2.gz AAUDPOIQRCOYRV-UHFFFAOYSA-N 2 2 271.408 3.228 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633817 813623640 /nfs/dbraw/zinc/62/36/40/813623640.db2.gz APVOLKWMHLWIBR-YLFCFFPRSA-N 2 2 284.403 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207633817 813623649 /nfs/dbraw/zinc/62/36/49/813623649.db2.gz APVOLKWMHLWIBR-YLFCFFPRSA-N 2 2 284.403 3.055 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208171327 813725396 /nfs/dbraw/zinc/72/53/96/813725396.db2.gz VVLAIOBJHJTGGD-MWDXBVQZSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208171327 813725405 /nfs/dbraw/zinc/72/54/05/813725405.db2.gz VVLAIOBJHJTGGD-MWDXBVQZSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208171327 813725407 /nfs/dbraw/zinc/72/54/07/813725407.db2.gz VVLAIOBJHJTGGD-MWDXBVQZSA-N 2 2 262.441 3.005 20 0 CGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208171327 813725416 /nfs/dbraw/zinc/72/54/16/813725416.db2.gz VVLAIOBJHJTGGD-MWDXBVQZSA-N 2 2 262.441 3.005 20 0 CGADLP COc1ccccc1C[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208190568 813737403 /nfs/dbraw/zinc/73/74/03/813737403.db2.gz GJZMGZKRHVNMFI-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP COc1ccccc1C[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208190568 813737406 /nfs/dbraw/zinc/73/74/06/813737406.db2.gz GJZMGZKRHVNMFI-UHFFFAOYSA-N 2 2 290.451 3.249 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)C[C@H]1CCC[NH+](C)C1 ZINC001208615240 813777928 /nfs/dbraw/zinc/77/79/28/813777928.db2.gz HMJLORKTMBASPR-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)C[C@H]1CCC[NH+](C)C1 ZINC001208615240 813777935 /nfs/dbraw/zinc/77/79/35/813777935.db2.gz HMJLORKTMBASPR-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C[C@H]1CCC[N@H+](C)C1 ZINC001208615240 813777941 /nfs/dbraw/zinc/77/79/41/813777941.db2.gz HMJLORKTMBASPR-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001208615240 813777950 /nfs/dbraw/zinc/77/79/50/813777950.db2.gz HMJLORKTMBASPR-ZDUSSCGKSA-N 2 2 282.378 3.129 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001208736920 813828344 /nfs/dbraw/zinc/82/83/44/813828344.db2.gz FUFMTNPHVHDVBG-OAHLLOKOSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001208736920 813828356 /nfs/dbraw/zinc/82/83/56/813828356.db2.gz FUFMTNPHVHDVBG-OAHLLOKOSA-N 2 2 262.397 3.279 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC001209499253 814064961 /nfs/dbraw/zinc/06/49/61/814064961.db2.gz LMHFCHKPBZEBBW-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c2c1 ZINC001209499253 814064968 /nfs/dbraw/zinc/06/49/68/814064968.db2.gz LMHFCHKPBZEBBW-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c2c1 ZINC001209499253 814064973 /nfs/dbraw/zinc/06/49/73/814064973.db2.gz LMHFCHKPBZEBBW-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)c2c1 ZINC001209499253 814064979 /nfs/dbraw/zinc/06/49/79/814064979.db2.gz LMHFCHKPBZEBBW-RDTXWAMCSA-N 2 2 283.419 3.002 20 0 CGADLP CC[N@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC001209512156 814068554 /nfs/dbraw/zinc/06/85/54/814068554.db2.gz BEPFVLOTDHIYHS-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP CC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC001209512156 814068559 /nfs/dbraw/zinc/06/85/59/814068559.db2.gz BEPFVLOTDHIYHS-UHFFFAOYSA-N 2 2 271.408 3.084 20 0 CGADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001209734232 814125353 /nfs/dbraw/zinc/12/53/53/814125353.db2.gz OSYMYTKVBZUUPA-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001209734232 814125359 /nfs/dbraw/zinc/12/53/59/814125359.db2.gz OSYMYTKVBZUUPA-INIZCTEOSA-N 2 2 287.794 3.485 20 0 CGADLP COc1cccc([C@H]2CCCC[N@@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209734244 814125685 /nfs/dbraw/zinc/12/56/85/814125685.db2.gz PEAXXRPSCFMIKE-GOSISDBHSA-N 2 2 297.402 3.230 20 0 CGADLP COc1cccc([C@H]2CCCC[N@H+]2Cc2c[nH+]ccc2N)c1 ZINC001209734244 814125691 /nfs/dbraw/zinc/12/56/91/814125691.db2.gz PEAXXRPSCFMIKE-GOSISDBHSA-N 2 2 297.402 3.230 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)cc2c1 ZINC001210499743 814491332 /nfs/dbraw/zinc/49/13/32/814491332.db2.gz WOXKUASSCYBIBM-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP COc1ccc2sc(C[N@H+]3CC[NH2+][C@@H](C)CC3)cc2c1 ZINC001210499743 814491335 /nfs/dbraw/zinc/49/13/35/814491335.db2.gz WOXKUASSCYBIBM-LBPRGKRZSA-N 2 2 290.432 3.094 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)c2)CC[NH2+]1 ZINC001210518617 814504185 /nfs/dbraw/zinc/50/41/85/814504185.db2.gz GRVQMQFYWCLKCU-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)c2)CC[NH2+]1 ZINC001210518617 814504187 /nfs/dbraw/zinc/50/41/87/814504187.db2.gz GRVQMQFYWCLKCU-AWEZNQCLSA-N 2 2 276.424 3.048 20 0 CGADLP COc1c[nH+]ccc1Nc1c(C)cc[nH+]c1C(C)C ZINC001211262829 814864493 /nfs/dbraw/zinc/86/44/93/814864493.db2.gz MJEZHMMTHPNNKI-UHFFFAOYSA-N 2 2 257.337 3.083 20 0 CGADLP CC[NH+](CC)c1ccc(Nc2cc[nH+]cc2OC)cc1 ZINC001211262950 814865107 /nfs/dbraw/zinc/86/51/07/814865107.db2.gz PNPBLOCVICWUOY-UHFFFAOYSA-N 2 2 271.364 3.102 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192552 816371480 /nfs/dbraw/zinc/37/14/80/816371480.db2.gz WWGKNKNNLMDGML-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1cccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222192552 816371489 /nfs/dbraw/zinc/37/14/89/816371489.db2.gz WWGKNKNNLMDGML-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232960 816379066 /nfs/dbraw/zinc/37/90/66/816379066.db2.gz ZZQKIEWJVRRETO-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Clc1ccccc1CCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232960 816379073 /nfs/dbraw/zinc/37/90/73/816379073.db2.gz ZZQKIEWJVRRETO-KRWDZBQOSA-N 2 2 292.854 3.491 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222314897 816406288 /nfs/dbraw/zinc/40/62/88/816406288.db2.gz KMMGHYUFGMMXLX-MRXNPFEDSA-N 2 2 298.352 3.212 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222314897 816406291 /nfs/dbraw/zinc/40/62/91/816406291.db2.gz KMMGHYUFGMMXLX-MRXNPFEDSA-N 2 2 298.352 3.212 20 0 CGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1C ZINC001222345007 816414217 /nfs/dbraw/zinc/41/42/17/816414217.db2.gz GFXQIEXKGAFAKF-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP Cc1cccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)c1C ZINC001222345007 816414219 /nfs/dbraw/zinc/41/42/19/816414219.db2.gz GFXQIEXKGAFAKF-QGZVFWFLSA-N 2 2 258.409 3.021 20 0 CGADLP c1ccc2c(c1)Cc1cc(C[NH+]3CC4(C3)CC[NH2+]C4)ccc1-2 ZINC001222380311 816424629 /nfs/dbraw/zinc/42/46/29/816424629.db2.gz ZOUKURBBTXHYKS-UHFFFAOYSA-N 2 2 290.410 3.053 20 0 CGADLP c1cnc2cccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2c1 ZINC001222385771 816427056 /nfs/dbraw/zinc/42/70/56/816427056.db2.gz WLXASLNUNDJZRD-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c2c1 ZINC001222385771 816427062 /nfs/dbraw/zinc/42/70/62/816427062.db2.gz WLXASLNUNDJZRD-LJQANCHMSA-N 2 2 295.430 3.343 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422734 816440981 /nfs/dbraw/zinc/44/09/81/816440981.db2.gz XSEQJRVANYYIMO-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422734 816440986 /nfs/dbraw/zinc/44/09/86/816440986.db2.gz XSEQJRVANYYIMO-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP CCCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222426852 816442699 /nfs/dbraw/zinc/44/26/99/816442699.db2.gz IOOISABALCXHGJ-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP CCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222426852 816442705 /nfs/dbraw/zinc/44/27/05/816442705.db2.gz IOOISABALCXHGJ-GOSISDBHSA-N 2 2 272.436 3.357 20 0 CGADLP c1cc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2c(c1)CCCC2 ZINC001222436731 816445485 /nfs/dbraw/zinc/44/54/85/816445485.db2.gz ZDFMDYSGQPRKFM-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c2c(c1)CCCC2 ZINC001222436731 816445487 /nfs/dbraw/zinc/44/54/87/816445487.db2.gz ZDFMDYSGQPRKFM-IBGZPJMESA-N 2 2 284.447 3.283 20 0 CGADLP c1[nH]c2cccnc2c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001231485309 818109081 /nfs/dbraw/zinc/10/90/81/818109081.db2.gz FVHAXEVMNLBUCL-UHFFFAOYSA-N 2 2 298.434 3.013 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232393749 818335568 /nfs/dbraw/zinc/33/55/68/818335568.db2.gz BWPNWZRGYJKTSJ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232393749 818335572 /nfs/dbraw/zinc/33/55/72/818335572.db2.gz BWPNWZRGYJKTSJ-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001232397761 818339074 /nfs/dbraw/zinc/33/90/74/818339074.db2.gz ALKVAPKNWJGYSE-UHFFFAOYSA-N 2 2 299.418 3.037 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001232397761 818339077 /nfs/dbraw/zinc/33/90/77/818339077.db2.gz ALKVAPKNWJGYSE-UHFFFAOYSA-N 2 2 299.418 3.037 20 0 CGADLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(C)c1O ZINC001243307702 823337757 /nfs/dbraw/zinc/33/77/57/823337757.db2.gz ULGAXIJUWUBFKK-UHFFFAOYSA-N 2 2 293.370 3.011 20 0 CGADLP Cc1cc(O)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001232883633 818464188 /nfs/dbraw/zinc/46/41/88/818464188.db2.gz RYQGNSAJSUQOGV-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP Cc1cc(O)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001232883633 818464192 /nfs/dbraw/zinc/46/41/92/818464192.db2.gz RYQGNSAJSUQOGV-UHFFFAOYSA-N 2 2 276.424 3.005 20 0 CGADLP COc1cc(C[NH+]2C3CCC2CC3)ccc1-n1cc[nH+]c1 ZINC001234068110 818771531 /nfs/dbraw/zinc/77/15/31/818771531.db2.gz XNFRWSFRJWASJT-UHFFFAOYSA-N 2 2 283.375 3.008 20 0 CGADLP COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1-n1cc[nH+]c1 ZINC001234074989 818773023 /nfs/dbraw/zinc/77/30/23/818773023.db2.gz FLGJGHWZQQZLSM-GJZGRUSLSA-N 2 2 299.418 3.359 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001234586458 818886411 /nfs/dbraw/zinc/88/64/11/818886411.db2.gz VJTXOQXPSCOLDY-FOLVSLTJSA-N 2 2 288.391 3.052 20 0 CGADLP CCOC(=[NH2+])c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001234586458 818886415 /nfs/dbraw/zinc/88/64/15/818886415.db2.gz VJTXOQXPSCOLDY-FOLVSLTJSA-N 2 2 288.391 3.052 20 0 CGADLP COc1cccc([C@H]2CCC[N@@H+]2Cc2[nH]c(C)[nH+]c2C)c1 ZINC001234646031 818901218 /nfs/dbraw/zinc/90/12/18/818901218.db2.gz YQRDTFNMFGCNJT-QGZVFWFLSA-N 2 2 285.391 3.372 20 0 CGADLP COc1cccc([C@H]2CCC[N@H+]2Cc2[nH]c(C)[nH+]c2C)c1 ZINC001234646031 818901221 /nfs/dbraw/zinc/90/12/21/818901221.db2.gz YQRDTFNMFGCNJT-QGZVFWFLSA-N 2 2 285.391 3.372 20 0 CGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235067316 818994539 /nfs/dbraw/zinc/99/45/39/818994539.db2.gz YLEVLNGRRAVSCF-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235067316 818994547 /nfs/dbraw/zinc/99/45/47/818994547.db2.gz YLEVLNGRRAVSCF-OAHLLOKOSA-N 2 2 298.352 3.076 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)cc2)cc1 ZINC001235148380 819016692 /nfs/dbraw/zinc/01/66/92/819016692.db2.gz WMCKCQIIPIPRIV-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)cc2)cc1 ZINC001235148380 819016696 /nfs/dbraw/zinc/01/66/96/819016696.db2.gz WMCKCQIIPIPRIV-OALUTQOASA-N 2 2 278.399 3.195 20 0 CGADLP c1cnc2cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001235167673 819021022 /nfs/dbraw/zinc/02/10/22/819021022.db2.gz MQQXUCNXCWYUMJ-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP c1cnc2cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)ccc2c1 ZINC001235167673 819021031 /nfs/dbraw/zinc/02/10/31/819021031.db2.gz MQQXUCNXCWYUMJ-IBGZPJMESA-N 2 2 295.430 3.343 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167033 819021554 /nfs/dbraw/zinc/02/15/54/819021554.db2.gz YATMBIZVPQJZNE-HRCADAONSA-N 2 2 250.430 3.182 20 0 CGADLP CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167033 819021558 /nfs/dbraw/zinc/02/15/58/819021558.db2.gz YATMBIZVPQJZNE-HRCADAONSA-N 2 2 250.430 3.182 20 0 CGADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1OC(C)C ZINC001235246101 819045876 /nfs/dbraw/zinc/04/58/76/819045876.db2.gz UECWBGARSZQGTN-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1OC(C)C ZINC001235246101 819045882 /nfs/dbraw/zinc/04/58/82/819045882.db2.gz UECWBGARSZQGTN-SJLPKXTDSA-N 2 2 288.435 3.095 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1Cl ZINC001235262942 819055375 /nfs/dbraw/zinc/05/53/75/819055375.db2.gz LXTLBHAQEFWNFX-GJZGRUSLSA-N 2 2 278.827 3.141 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1Cl ZINC001235262942 819055382 /nfs/dbraw/zinc/05/53/82/819055382.db2.gz LXTLBHAQEFWNFX-GJZGRUSLSA-N 2 2 278.827 3.141 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263299 819057358 /nfs/dbraw/zinc/05/73/58/819057358.db2.gz TZVLBGYVEIZMDB-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263299 819057365 /nfs/dbraw/zinc/05/73/65/819057365.db2.gz TZVLBGYVEIZMDB-CRAIPNDOSA-N 2 2 296.414 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235408581 819087275 /nfs/dbraw/zinc/08/72/75/819087275.db2.gz URFTVPDTGVIEDN-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(Cl)c1 ZINC001235408581 819087278 /nfs/dbraw/zinc/08/72/78/819087278.db2.gz URFTVPDTGVIEDN-HZPDHXFCSA-N 2 2 296.817 3.172 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235709384 819147421 /nfs/dbraw/zinc/14/74/21/819147421.db2.gz GFWVNOSBDRDZKV-CVEARBPZSA-N 2 2 296.842 3.058 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235709384 819147425 /nfs/dbraw/zinc/14/74/25/819147425.db2.gz GFWVNOSBDRDZKV-CVEARBPZSA-N 2 2 296.842 3.058 20 0 CGADLP CC[N@H+](Cc1ccc(F)c(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764848 819163642 /nfs/dbraw/zinc/16/36/42/819163642.db2.gz LYLCNBQWVIDNKD-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP CC[N@@H+](Cc1ccc(F)c(C)c1Cl)C1CC[NH2+]CC1 ZINC001235764848 819163650 /nfs/dbraw/zinc/16/36/50/819163650.db2.gz LYLCNBQWVIDNKD-UHFFFAOYSA-N 2 2 284.806 3.361 20 0 CGADLP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC001235841935 819183711 /nfs/dbraw/zinc/18/37/11/819183711.db2.gz KJZUZVNFINPUIU-NSHDSACASA-N 2 2 287.234 3.343 20 0 CGADLP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC001235841935 819183716 /nfs/dbraw/zinc/18/37/16/819183716.db2.gz KJZUZVNFINPUIU-NSHDSACASA-N 2 2 287.234 3.343 20 0 CGADLP COc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892055 819199950 /nfs/dbraw/zinc/19/99/50/819199950.db2.gz LBKTYFIHPQCYSQ-DZGCQCFKSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c2ccccc12 ZINC001235892055 819199953 /nfs/dbraw/zinc/19/99/53/819199953.db2.gz LBKTYFIHPQCYSQ-DZGCQCFKSA-N 2 2 284.403 3.160 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001235925069 819222714 /nfs/dbraw/zinc/22/27/14/819222714.db2.gz IEDYGGPQSJSTIX-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC001235925069 819222719 /nfs/dbraw/zinc/22/27/19/819222719.db2.gz IEDYGGPQSJSTIX-NSHDSACASA-N 2 2 273.207 3.307 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235930315 819227793 /nfs/dbraw/zinc/22/77/93/819227793.db2.gz WBDOZDCLUUIIHE-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235930315 819227797 /nfs/dbraw/zinc/22/77/97/819227797.db2.gz WBDOZDCLUUIIHE-VXGBXAGGSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235939697 819233932 /nfs/dbraw/zinc/23/39/32/819233932.db2.gz HBIPAZQUKQBEIB-INIZCTEOSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235939697 819233936 /nfs/dbraw/zinc/23/39/36/819233936.db2.gz HBIPAZQUKQBEIB-INIZCTEOSA-N 2 2 278.827 3.230 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987559 819260907 /nfs/dbraw/zinc/26/09/07/819260907.db2.gz DTZGNUFNGSESCQ-YLJYHZDGSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC001235987559 819260912 /nfs/dbraw/zinc/26/09/12/819260912.db2.gz DTZGNUFNGSESCQ-YLJYHZDGSA-N 2 2 290.410 3.181 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990612 819263129 /nfs/dbraw/zinc/26/31/29/819263129.db2.gz MXWJMXQHCVOFPQ-DZGCQCFKSA-N 2 2 290.457 3.400 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001235990612 819263132 /nfs/dbraw/zinc/26/31/32/819263132.db2.gz MXWJMXQHCVOFPQ-DZGCQCFKSA-N 2 2 290.457 3.400 20 0 CGADLP CC[N@H+](Cc1ccc2occc2c1)[C@H]1CCC[NH2+]C1 ZINC001236007500 819272352 /nfs/dbraw/zinc/27/23/52/819272352.db2.gz NNQDRWGESMNYBQ-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP CC[N@@H+](Cc1ccc2occc2c1)[C@H]1CCC[NH2+]C1 ZINC001236007500 819272355 /nfs/dbraw/zinc/27/23/55/819272355.db2.gz NNQDRWGESMNYBQ-HNNXBMFYSA-N 2 2 258.365 3.007 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236027123 819276139 /nfs/dbraw/zinc/27/61/39/819276139.db2.gz JUCLTGOLLICUEH-VQIMIIECSA-N 2 2 278.399 3.195 20 0 CGADLP Cc1ccccc1-c1ccccc1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236027123 819276144 /nfs/dbraw/zinc/27/61/44/819276144.db2.gz JUCLTGOLLICUEH-VQIMIIECSA-N 2 2 278.399 3.195 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2SC)C1 ZINC001236068191 819298597 /nfs/dbraw/zinc/29/85/97/819298597.db2.gz VOQJYCIQMDMGGJ-NSHDSACASA-N 2 2 284.856 3.103 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2SC)C1 ZINC001236068191 819298602 /nfs/dbraw/zinc/29/86/02/819298602.db2.gz VOQJYCIQMDMGGJ-NSHDSACASA-N 2 2 284.856 3.103 20 0 CGADLP Clc1cccc2c1C[N@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001236078596 819304534 /nfs/dbraw/zinc/30/45/34/819304534.db2.gz KDQDZAYCSUKDQC-AWEZNQCLSA-N 2 2 278.827 3.230 20 0 CGADLP Clc1cccc2c1C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001236078596 819304540 /nfs/dbraw/zinc/30/45/40/819304540.db2.gz KDQDZAYCSUKDQC-AWEZNQCLSA-N 2 2 278.827 3.230 20 0 CGADLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236206448 819368609 /nfs/dbraw/zinc/36/86/09/819368609.db2.gz KSTWWIJCNAPZSF-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1Cl ZINC001236206448 819368614 /nfs/dbraw/zinc/36/86/14/819368614.db2.gz KSTWWIJCNAPZSF-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP CCCCOc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209677 819372628 /nfs/dbraw/zinc/37/26/28/819372628.db2.gz YKWAVUPFSMJKAH-SFHVURJKSA-N 2 2 290.451 3.439 20 0 CGADLP CCCCOc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209677 819372632 /nfs/dbraw/zinc/37/26/32/819372632.db2.gz YKWAVUPFSMJKAH-SFHVURJKSA-N 2 2 290.451 3.439 20 0 CGADLP COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214713 819379058 /nfs/dbraw/zinc/37/90/58/819379058.db2.gz DWMMKFVVJYANFS-CABCVRRESA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236214713 819379063 /nfs/dbraw/zinc/37/90/63/819379063.db2.gz DWMMKFVVJYANFS-CABCVRRESA-N 2 2 282.815 3.050 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217774 819384230 /nfs/dbraw/zinc/38/42/30/819384230.db2.gz QFYCJTIFSRXXFD-WMLDXEAASA-N 2 2 289.398 3.317 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217774 819384233 /nfs/dbraw/zinc/38/42/33/819384233.db2.gz QFYCJTIFSRXXFD-WMLDXEAASA-N 2 2 289.398 3.317 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001236247654 819404404 /nfs/dbraw/zinc/40/44/04/819404404.db2.gz UXRXDTNDRUSERW-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001236247654 819404409 /nfs/dbraw/zinc/40/44/09/819404409.db2.gz UXRXDTNDRUSERW-CQSZACIVSA-N 2 2 272.417 3.338 20 0 CGADLP Fc1ccc(C[N@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389038 819446662 /nfs/dbraw/zinc/44/66/62/819446662.db2.gz RNNTUZOETCPEPA-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP Fc1ccc(C[N@@H+](CCC2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389038 819446667 /nfs/dbraw/zinc/44/66/67/819446667.db2.gz RNNTUZOETCPEPA-QGZVFWFLSA-N 2 2 276.399 3.180 20 0 CGADLP CC(C)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396448 819450184 /nfs/dbraw/zinc/45/01/84/819450184.db2.gz YGMUYGMKMUCHQF-MRXNPFEDSA-N 2 2 264.388 3.036 20 0 CGADLP CC(C)C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396448 819450188 /nfs/dbraw/zinc/45/01/88/819450188.db2.gz YGMUYGMKMUCHQF-MRXNPFEDSA-N 2 2 264.388 3.036 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417357 819463842 /nfs/dbraw/zinc/46/38/42/819463842.db2.gz YRLCJUCIAIXBPU-RISCZKNCSA-N 2 2 286.341 3.060 20 0 CGADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CCc1cccc(C(F)(F)F)c1 ZINC001236417357 819463845 /nfs/dbraw/zinc/46/38/45/819463845.db2.gz YRLCJUCIAIXBPU-RISCZKNCSA-N 2 2 286.341 3.060 20 0 CGADLP Nc1cc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001236473899 819492764 /nfs/dbraw/zinc/49/27/64/819492764.db2.gz IUMDTHJIERLUSN-MSOLQXFVSA-N 2 2 291.398 3.484 20 0 CGADLP Nc1cc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001236473899 819492767 /nfs/dbraw/zinc/49/27/67/819492767.db2.gz IUMDTHJIERLUSN-MSOLQXFVSA-N 2 2 291.398 3.484 20 0 CGADLP C1=CC[C@H](C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649747 819562235 /nfs/dbraw/zinc/56/22/35/819562235.db2.gz ZKRRKWMPZZSNHI-RDJZCZTQSA-N 2 2 262.441 3.339 20 0 CGADLP C1=CC[C@H](C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236649747 819562240 /nfs/dbraw/zinc/56/22/40/819562240.db2.gz ZKRRKWMPZZSNHI-RDJZCZTQSA-N 2 2 262.441 3.339 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(Br)cc1C ZINC001236883688 819630532 /nfs/dbraw/zinc/63/05/32/819630532.db2.gz KCODQPNTHMDINK-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(Br)cc1C ZINC001236883688 819630534 /nfs/dbraw/zinc/63/05/34/819630534.db2.gz KCODQPNTHMDINK-ZDUSSCGKSA-N 2 2 299.256 3.235 20 0 CGADLP Cc1c(F)ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237080178 819661701 /nfs/dbraw/zinc/66/17/01/819661701.db2.gz DLZWHODAFHYLEG-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP Cc1c(F)ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c1Cl ZINC001237080178 819661704 /nfs/dbraw/zinc/66/17/04/819661704.db2.gz DLZWHODAFHYLEG-HNNXBMFYSA-N 2 2 284.806 3.348 20 0 CGADLP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C[C@H]3C)cc2)cc1 ZINC001237204789 819698261 /nfs/dbraw/zinc/69/82/61/819698261.db2.gz TUTOHOGWFWSQHN-KDOFPFPSSA-N 2 2 296.414 3.284 20 0 CGADLP C[N@H+](C[C@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001237259396 819710638 /nfs/dbraw/zinc/71/06/38/819710638.db2.gz WAKWLKRNRTWBNX-MJGOQNOKSA-N 2 2 280.415 3.176 20 0 CGADLP C[N@@H+](C[C@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC001237259396 819710641 /nfs/dbraw/zinc/71/06/41/819710641.db2.gz WAKWLKRNRTWBNX-MJGOQNOKSA-N 2 2 280.415 3.176 20 0 CGADLP CCOc1ccc(C)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001238714838 820098632 /nfs/dbraw/zinc/09/86/32/820098632.db2.gz UBTCGLHIUCXFMS-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP Nc1cc[nH+]c2cc(-c3ccc4[nH+]ccn4c3)ccc12 ZINC001240218676 820892710 /nfs/dbraw/zinc/89/27/10/820892710.db2.gz JODPSXTUFLGELK-UHFFFAOYSA-N 2 2 260.300 3.132 20 0 CGADLP C[N@@H+]1CC[C@@H](c2ccc(-c3ccc4[nH+]ccn4c3)cc2)C1 ZINC001240220966 820896255 /nfs/dbraw/zinc/89/62/55/820896255.db2.gz OSIUNTJSLMICQL-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP C[N@H+]1CC[C@@H](c2ccc(-c3ccc4[nH+]ccn4c3)cc2)C1 ZINC001240220966 820896267 /nfs/dbraw/zinc/89/62/67/820896267.db2.gz OSIUNTJSLMICQL-QGZVFWFLSA-N 2 2 277.371 3.420 20 0 CGADLP c1cn2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2[nH+]1 ZINC001240508589 821104050 /nfs/dbraw/zinc/10/40/50/821104050.db2.gz DRTNHTCRWGJXAI-UHFFFAOYSA-N 2 2 277.371 3.468 20 0 CGADLP CCOc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241116806 821571723 /nfs/dbraw/zinc/57/17/23/821571723.db2.gz RHPVGVJWARZDMY-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP CCOc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241116806 821571729 /nfs/dbraw/zinc/57/17/29/821571729.db2.gz RHPVGVJWARZDMY-QGZVFWFLSA-N 2 2 296.414 3.285 20 0 CGADLP Nc1ccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001241759805 822130320 /nfs/dbraw/zinc/13/03/20/822130320.db2.gz WJGXYHOHHYDRLW-UHFFFAOYSA-N 2 2 297.402 3.196 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(=C3CCC3)CC2)CCC1 ZINC001474449952 937860606 /nfs/dbraw/zinc/86/06/06/937860606.db2.gz CJPWDJBKXKOEBS-UHFFFAOYSA-N 2 2 262.441 3.483 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001351177702 937010689 /nfs/dbraw/zinc/01/06/89/937010689.db2.gz STYQMXSPFLYINK-NEPJUHHUSA-N 2 2 257.381 3.308 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H](C)[NH+](C)C ZINC001462248551 937627580 /nfs/dbraw/zinc/62/75/80/937627580.db2.gz LHIWFCYBBSLZMR-GJZGRUSLSA-N 2 2 274.452 3.036 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCCC1 ZINC001462427586 937640859 /nfs/dbraw/zinc/64/08/59/937640859.db2.gz LDKJGXJJJXDQES-GJZGRUSLSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC001462427162 937640678 /nfs/dbraw/zinc/64/06/78/937640678.db2.gz NTYDSPYZHWWHFP-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC001462427162 937640681 /nfs/dbraw/zinc/64/06/81/937640681.db2.gz NTYDSPYZHWWHFP-WBVHZDCISA-N 2 2 274.452 3.388 20 0 CGADLP CC(C)C1CCC(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC001308288281 933088733 /nfs/dbraw/zinc/08/87/33/933088733.db2.gz ROQCKOPMCOPRBA-GTPINHCMSA-N 2 2 266.473 3.380 20 0 CGADLP CC(C)C1CCC(C[NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC001308288281 933088738 /nfs/dbraw/zinc/08/87/38/933088738.db2.gz ROQCKOPMCOPRBA-GTPINHCMSA-N 2 2 266.473 3.380 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001308291657 933090251 /nfs/dbraw/zinc/09/02/51/933090251.db2.gz CMVHNCXFIUHWFA-WBVHZDCISA-N 2 2 298.434 3.039 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001308482009 933117563 /nfs/dbraw/zinc/11/75/63/933117563.db2.gz HAASMHIRHRPGRR-AFCDSYGPSA-N 2 2 272.436 3.309 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001308482009 933117568 /nfs/dbraw/zinc/11/75/68/933117568.db2.gz HAASMHIRHRPGRR-AFCDSYGPSA-N 2 2 272.436 3.309 20 0 CGADLP C=C/C=C/CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308505144 933121555 /nfs/dbraw/zinc/12/15/55/933121555.db2.gz BHIGLHKXKBWPEE-ONEGZZNKSA-N 2 2 259.378 3.156 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001308967631 933216359 /nfs/dbraw/zinc/21/63/59/933216359.db2.gz SPEBKTSLLKPMAR-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001308967631 933216363 /nfs/dbraw/zinc/21/63/63/933216363.db2.gz SPEBKTSLLKPMAR-XJKSGUPXSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001320532014 934060446 /nfs/dbraw/zinc/06/04/46/934060446.db2.gz LZIDOTIQIDQZJS-CXAGYDPISA-N 2 2 298.390 3.196 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH+]1 ZINC001324904438 934871685 /nfs/dbraw/zinc/87/16/85/934871685.db2.gz LASXHLMVKFFPDC-GJZGRUSLSA-N 2 2 269.392 3.346 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)[nH+]1 ZINC001324904438 934871689 /nfs/dbraw/zinc/87/16/89/934871689.db2.gz LASXHLMVKFFPDC-GJZGRUSLSA-N 2 2 269.392 3.346 20 0 CGADLP Fc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC001325157295 934890234 /nfs/dbraw/zinc/89/02/34/934890234.db2.gz KVWRPUPNHXRLLS-UHFFFAOYSA-N 2 2 291.345 3.110 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC001325715313 934924863 /nfs/dbraw/zinc/92/48/63/934924863.db2.gz AOJQVQDGSIEFEZ-RISCZKNCSA-N 2 2 268.351 3.244 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sccc1Br ZINC001325742429 934926345 /nfs/dbraw/zinc/92/63/45/934926345.db2.gz FJSVCDZADKJFIC-DTWKUNHWSA-N 2 2 291.258 3.159 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCC12CC2 ZINC001328910719 935174935 /nfs/dbraw/zinc/17/49/35/935174935.db2.gz ZIHJLOMAMGAXJK-ZDUSSCGKSA-N 2 2 296.374 3.095 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC001329024546 935179817 /nfs/dbraw/zinc/17/98/17/935179817.db2.gz UDKIBFIZIGNRJZ-QWHCGFSZSA-N 2 2 289.448 3.459 20 0 CGADLP CC[NH+](CC)C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC001330545340 935294216 /nfs/dbraw/zinc/29/42/16/935294216.db2.gz SYZLFCCRGNWAJQ-CYBMUJFWSA-N 2 2 293.282 3.377 20 0 CGADLP FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]21 ZINC001330767490 935321154 /nfs/dbraw/zinc/32/11/54/935321154.db2.gz RXBMSNVZMDMZMN-CGJHYDBRSA-N 2 2 295.358 3.067 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001334873488 936119750 /nfs/dbraw/zinc/11/97/50/936119750.db2.gz UGBMAQQORUVNIX-LBPRGKRZSA-N 2 2 289.345 3.017 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001334873488 936119753 /nfs/dbraw/zinc/11/97/53/936119753.db2.gz UGBMAQQORUVNIX-LBPRGKRZSA-N 2 2 289.345 3.017 20 0 CGADLP CC[NH+](CC)CC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001336915049 936226721 /nfs/dbraw/zinc/22/67/21/936226721.db2.gz MUWPGOOPUHTXBX-LBPRGKRZSA-N 2 2 276.428 3.195 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001336915047 936227057 /nfs/dbraw/zinc/22/70/57/936227057.db2.gz MUWPGOOPUHTXBX-GFCCVEGCSA-N 2 2 276.428 3.195 20 0 CGADLP CCC(C)(C)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473894701 937828203 /nfs/dbraw/zinc/82/82/03/937828203.db2.gz NUGKICURLPEYAT-UHFFFAOYSA-N 2 2 263.429 3.426 20 0 CGADLP F[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474228471 937845203 /nfs/dbraw/zinc/84/52/03/937845203.db2.gz DMFQXSNIANINDG-UONOGXRCSA-N 2 2 279.384 3.304 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC001474740098 937877837 /nfs/dbraw/zinc/87/78/37/937877837.db2.gz GXVYWAAXDBYLIZ-KGLIPLIRSA-N 2 2 260.491 3.084 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001548851811 938152551 /nfs/dbraw/zinc/15/25/51/938152551.db2.gz HRYMDLOXTWBTBN-ZIAGYGMSSA-N 2 2 297.393 3.425 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001548851811 938152552 /nfs/dbraw/zinc/15/25/52/938152552.db2.gz HRYMDLOXTWBTBN-ZIAGYGMSSA-N 2 2 297.393 3.425 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001548926837 938154009 /nfs/dbraw/zinc/15/40/09/938154009.db2.gz XJRKAMDSCGQXTE-MZMPZRCHSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001548926837 938154010 /nfs/dbraw/zinc/15/40/10/938154010.db2.gz XJRKAMDSCGQXTE-MZMPZRCHSA-N 2 2 284.378 3.313 20 0 CGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC001550621524 938168909 /nfs/dbraw/zinc/16/89/09/938168909.db2.gz JPKPTURTEUGICQ-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c(C)c1 ZINC001550621524 938168910 /nfs/dbraw/zinc/16/89/10/938168910.db2.gz JPKPTURTEUGICQ-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC001551377684 938180468 /nfs/dbraw/zinc/18/04/68/938180468.db2.gz IRVLQYHHOKTLPB-FASAQXTFSA-N 2 2 296.414 3.279 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC001551378591 938180607 /nfs/dbraw/zinc/18/06/07/938180607.db2.gz RBXOOSFTULALSA-VHSSKADRSA-N 2 2 266.388 3.270 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC001551379241 938180798 /nfs/dbraw/zinc/18/07/98/938180798.db2.gz WCIMLQGTLFFNSE-NKKGCODLSA-N 2 2 276.399 3.119 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC1CCC(C)(C)CC1 ZINC001560360501 938255108 /nfs/dbraw/zinc/25/51/08/938255108.db2.gz PBQYQIFVPWKBMO-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC1CCC(C)(C)CC1 ZINC001560360501 938255109 /nfs/dbraw/zinc/25/51/09/938255109.db2.gz PBQYQIFVPWKBMO-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001560518852 938261336 /nfs/dbraw/zinc/26/13/36/938261336.db2.gz KPSIJPUBDLKCDN-MSOLQXFVSA-N 2 2 272.436 3.356 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001560518852 938261337 /nfs/dbraw/zinc/26/13/37/938261337.db2.gz KPSIJPUBDLKCDN-MSOLQXFVSA-N 2 2 272.436 3.356 20 0 CGADLP COC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001560538510 938262279 /nfs/dbraw/zinc/26/22/79/938262279.db2.gz SCDGURQSQNWBOZ-INIZCTEOSA-N 2 2 294.483 3.332 20 0 CGADLP COC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001560538510 938262280 /nfs/dbraw/zinc/26/22/80/938262280.db2.gz SCDGURQSQNWBOZ-INIZCTEOSA-N 2 2 294.483 3.332 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001560624360 938266640 /nfs/dbraw/zinc/26/66/40/938266640.db2.gz LJXDAAVOTBAGNO-AWEZNQCLSA-N 2 2 266.404 3.344 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001560807984 938277366 /nfs/dbraw/zinc/27/73/66/938277366.db2.gz QRKPLDOFIGPYDP-HLLBOEOZSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001560807984 938277367 /nfs/dbraw/zinc/27/73/67/938277367.db2.gz QRKPLDOFIGPYDP-HLLBOEOZSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@@H+]2CCC(C)(C)C2)cc1 ZINC001561043359 938291297 /nfs/dbraw/zinc/29/12/97/938291297.db2.gz WAVBVKXRQARUHA-MRXNPFEDSA-N 2 2 274.452 3.420 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]CC[N@H+]2CCC(C)(C)C2)cc1 ZINC001561043359 938291298 /nfs/dbraw/zinc/29/12/98/938291298.db2.gz WAVBVKXRQARUHA-MRXNPFEDSA-N 2 2 274.452 3.420 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC001576669883 962484464 /nfs/dbraw/zinc/48/44/64/962484464.db2.gz BMYPHHFZDGSKAF-COPLHBTASA-N 2 2 297.240 3.240 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cc(C)ccc1C ZINC001577176032 962518858 /nfs/dbraw/zinc/51/88/58/962518858.db2.gz PZNSEABFBWNEHT-LXZKKBNFSA-N 2 2 260.425 3.342 20 0 CGADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC001578241955 962578589 /nfs/dbraw/zinc/57/85/89/962578589.db2.gz UFUPSNSCAVZDMC-OLZOCXBDSA-N 2 2 266.454 3.276 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](COC)CC(C)(C)C ZINC001578275642 962586421 /nfs/dbraw/zinc/58/64/21/962586421.db2.gz UEIWWJVYSMGSOT-RDJZCZTQSA-N 2 2 292.467 3.290 20 0 CGADLP Cc1cccc(C)c1C[N@H+](C)C[C@@H]([NH3+])CC(F)(F)F ZINC001579754880 962672848 /nfs/dbraw/zinc/67/28/48/962672848.db2.gz LRYILHMPARZFOQ-LBPRGKRZSA-N 2 2 274.330 3.015 20 0 CGADLP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]([NH3+])CC(F)(F)F ZINC001579754880 962672855 /nfs/dbraw/zinc/67/28/55/962672855.db2.gz LRYILHMPARZFOQ-LBPRGKRZSA-N 2 2 274.330 3.015 20 0 CGADLP [NH3+]CC1([NH2+]Cc2ccsc2Cl)CCCCC1 ZINC001580245212 962710450 /nfs/dbraw/zinc/71/04/50/962710450.db2.gz FAUYXGOGHLDCAZ-UHFFFAOYSA-N 2 2 258.818 3.153 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337418162 214069478 /nfs/dbraw/zinc/06/94/78/214069478.db2.gz PVQGNTRGLDGNGD-NXHRZFHOSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337418162 214069480 /nfs/dbraw/zinc/06/94/80/214069480.db2.gz PVQGNTRGLDGNGD-NXHRZFHOSA-N 2 2 284.447 3.429 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337458879 214095322 /nfs/dbraw/zinc/09/53/22/214095322.db2.gz JVLVEGJQOFTEIN-UONOGXRCSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337458879 214095325 /nfs/dbraw/zinc/09/53/25/214095325.db2.gz JVLVEGJQOFTEIN-UONOGXRCSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621377766 349512767 /nfs/dbraw/zinc/51/27/67/349512767.db2.gz FVCBBNIAMCFJFZ-FVQBIDKESA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621377766 349512770 /nfs/dbraw/zinc/51/27/70/349512770.db2.gz FVCBBNIAMCFJFZ-FVQBIDKESA-N 2 2 294.389 3.142 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cnccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000651650432 398262284 /nfs/dbraw/zinc/26/22/84/398262284.db2.gz NCEYDWBYYNFEBO-CJNGLKHVSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cnccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000651650432 398262285 /nfs/dbraw/zinc/26/22/85/398262285.db2.gz NCEYDWBYYNFEBO-CJNGLKHVSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781804 349585166 /nfs/dbraw/zinc/58/51/66/349585166.db2.gz IVAFDHSBGBILPV-KYOSRNDESA-N 2 2 264.800 3.214 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781804 349585169 /nfs/dbraw/zinc/58/51/69/349585169.db2.gz IVAFDHSBGBILPV-KYOSRNDESA-N 2 2 264.800 3.214 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000651721901 398275458 /nfs/dbraw/zinc/27/54/58/398275458.db2.gz WWLIXOPYFCEJJF-OFQRWUPVSA-N 2 2 261.413 3.319 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651735066 398278280 /nfs/dbraw/zinc/27/82/80/398278280.db2.gz FHUPGPMWGIXEGR-DARAHFNDSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651735066 398278284 /nfs/dbraw/zinc/27/82/84/398278284.db2.gz FHUPGPMWGIXEGR-DARAHFNDSA-N 2 2 250.430 3.170 20 0 CGADLP CCc1cccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000651750541 398281744 /nfs/dbraw/zinc/28/17/44/398281744.db2.gz MNJSIIXCYVQQQQ-UHFFFAOYSA-N 2 2 279.387 3.229 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000651786563 398287985 /nfs/dbraw/zinc/28/79/85/398287985.db2.gz AIXSEBRWOYEEEU-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000651786563 398287987 /nfs/dbraw/zinc/28/79/87/398287987.db2.gz AIXSEBRWOYEEEU-ZBFHGGJFSA-N 2 2 282.472 3.044 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337985878 214344882 /nfs/dbraw/zinc/34/48/82/214344882.db2.gz FITDHKCMHKLPNO-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337985878 214344884 /nfs/dbraw/zinc/34/48/84/214344884.db2.gz FITDHKCMHKLPNO-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337989312 214346731 /nfs/dbraw/zinc/34/67/31/214346731.db2.gz QADJNGAXRJJRKP-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337989312 214346733 /nfs/dbraw/zinc/34/67/33/214346733.db2.gz QADJNGAXRJJRKP-FVQBIDKESA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCO1 ZINC000449166104 529430499 /nfs/dbraw/zinc/43/04/99/529430499.db2.gz BUGUSOCADCITTR-MAUKXSAKSA-N 2 2 299.418 3.228 20 0 CGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689647 529437387 /nfs/dbraw/zinc/43/73/87/529437387.db2.gz GDYLEOFUNQTCIL-CVEARBPZSA-N 2 2 270.436 3.178 20 0 CGADLP CC[C@H](F)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000440689647 529437388 /nfs/dbraw/zinc/43/73/88/529437388.db2.gz GDYLEOFUNQTCIL-CVEARBPZSA-N 2 2 270.436 3.178 20 0 CGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423274103 529501222 /nfs/dbraw/zinc/50/12/22/529501222.db2.gz JVYSMOJQUAQBIA-ABAIWWIYSA-N 2 2 272.392 3.383 20 0 CGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC[NH2+]C ZINC000423228385 529532414 /nfs/dbraw/zinc/53/24/14/529532414.db2.gz ZKSNSFXXQRNXES-LBPRGKRZSA-N 2 2 272.845 3.020 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000449089488 529585018 /nfs/dbraw/zinc/58/50/18/529585018.db2.gz KPFVCTUUDJGDNN-SFHVURJKSA-N 2 2 287.451 3.214 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423497875 529611838 /nfs/dbraw/zinc/61/18/38/529611838.db2.gz HNMJZNPXYMZKQX-GUYCJALGSA-N 2 2 272.392 3.063 20 0 CGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000449218228 529608004 /nfs/dbraw/zinc/60/80/04/529608004.db2.gz GLWMOERXHJTPGN-INIZCTEOSA-N 2 2 271.408 3.435 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000423446285 529616960 /nfs/dbraw/zinc/61/69/60/529616960.db2.gz YYYBVCLVFVSOHO-IRXDYDNUSA-N 2 2 258.409 3.042 20 0 CGADLP CC(C)(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000126196118 187223532 /nfs/dbraw/zinc/22/35/32/187223532.db2.gz PLLDIRLBGWHGFN-UHFFFAOYSA-N 2 2 277.437 3.422 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358411500 529662005 /nfs/dbraw/zinc/66/20/05/529662005.db2.gz ZAXGGINTAPZOEX-BYCMXARLSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358411500 529662006 /nfs/dbraw/zinc/66/20/06/529662006.db2.gz ZAXGGINTAPZOEX-BYCMXARLSA-N 2 2 266.816 3.331 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000368104252 529662130 /nfs/dbraw/zinc/66/21/30/529662130.db2.gz DESHQRVOBWZXOB-KGLIPLIRSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000368104252 529662131 /nfs/dbraw/zinc/66/21/31/529662131.db2.gz DESHQRVOBWZXOB-KGLIPLIRSA-N 2 2 255.365 3.008 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(C)ccc1OC ZINC000368103885 529673109 /nfs/dbraw/zinc/67/31/09/529673109.db2.gz ZBLQYOTZFSOYKS-ZFWWWQNUSA-N 2 2 299.418 3.325 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(C)ccc1OC ZINC000368103885 529673112 /nfs/dbraw/zinc/67/31/12/529673112.db2.gz ZBLQYOTZFSOYKS-ZFWWWQNUSA-N 2 2 299.418 3.325 20 0 CGADLP Clc1cnccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000623399031 349798997 /nfs/dbraw/zinc/79/89/97/349798997.db2.gz WFNPUELMBMKRLY-UHFFFAOYSA-N 2 2 290.798 3.112 20 0 CGADLP CC[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000623853354 349896516 /nfs/dbraw/zinc/89/65/16/349896516.db2.gz VKUVFWCUMUNNGW-QGZVFWFLSA-N 2 2 260.425 3.083 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000423223326 529979013 /nfs/dbraw/zinc/97/90/13/529979013.db2.gz FZDRLORAKPMCIY-SFHVURJKSA-N 2 2 268.404 3.202 20 0 CGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1sccc1Br ZINC000037213746 344948948 /nfs/dbraw/zinc/94/89/48/344948948.db2.gz RSSSVPXOEKWDNX-VIFPVBQESA-N 2 2 291.258 3.113 20 0 CGADLP CCn1cc[nH+]c1CNc1cccc(C[NH+](CC)CC)c1 ZINC000051922738 345094151 /nfs/dbraw/zinc/09/41/51/345094151.db2.gz XURGWVBFSXJBAT-UHFFFAOYSA-N 2 2 286.423 3.357 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)Cn1cc[nH+]c1 ZINC000062254273 345238238 /nfs/dbraw/zinc/23/82/38/345238238.db2.gz GDPZUMJKNSDMIS-HNNXBMFYSA-N 2 2 299.418 3.098 20 0 CGADLP C[C@@H](CC[NH2+][C@H]1CCCc2scnc21)[NH+]1CCCCC1 ZINC000623959649 349928889 /nfs/dbraw/zinc/92/88/89/349928889.db2.gz XIJLKMMKYMWTSH-KBPBESRZSA-N 2 2 293.480 3.375 20 0 CGADLP COc1ccc(F)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860216 345525041 /nfs/dbraw/zinc/52/50/41/345525041.db2.gz PGXAEWZBNKURME-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860216 345525044 /nfs/dbraw/zinc/52/50/44/345525044.db2.gz PGXAEWZBNKURME-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860216 345525046 /nfs/dbraw/zinc/52/50/46/345525046.db2.gz PGXAEWZBNKURME-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP COc1ccc(F)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860216 345525048 /nfs/dbraw/zinc/52/50/48/345525048.db2.gz PGXAEWZBNKURME-MRXNPFEDSA-N 2 2 294.414 3.141 20 0 CGADLP CCCC[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000085659015 345747042 /nfs/dbraw/zinc/74/70/42/345747042.db2.gz LSGYONXTFJZYFV-UHFFFAOYSA-N 2 2 284.407 3.306 20 0 CGADLP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000085688225 345747599 /nfs/dbraw/zinc/74/75/99/345747599.db2.gz UZQNGHUFGOUAEY-LBPRGKRZSA-N 2 2 276.428 3.051 20 0 CGADLP CC[C@@H](C[NH2+][C@H](c1cccnc1)C(C)C)[NH+]1CCCC1 ZINC000091284170 345810018 /nfs/dbraw/zinc/81/00/18/345810018.db2.gz ZMOJRMBDVYDTDI-IRXDYDNUSA-N 2 2 275.440 3.243 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334426 345810740 /nfs/dbraw/zinc/81/07/40/345810740.db2.gz DWMSOSOKUSPIRR-FUHWJXTLSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)c1cccnc1 ZINC000091334426 345810742 /nfs/dbraw/zinc/81/07/42/345810742.db2.gz DWMSOSOKUSPIRR-FUHWJXTLSA-N 2 2 287.451 3.385 20 0 CGADLP Cc1cc(NCCCn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000091424622 345812734 /nfs/dbraw/zinc/81/27/34/345812734.db2.gz BLDUXBWONROKKK-UHFFFAOYSA-N 2 2 284.338 3.381 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(C)s1 ZINC000090046689 345778603 /nfs/dbraw/zinc/77/86/03/345778603.db2.gz YUIIFPNMLGEDMN-OCCSQVGLSA-N 2 2 296.480 3.126 20 0 CGADLP C[C@H]([NH2+]Cc1ncccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090720943 345792441 /nfs/dbraw/zinc/79/24/41/345792441.db2.gz UIIQZDGEXDMYDD-ZDUSSCGKSA-N 2 2 296.349 3.257 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071437 345830442 /nfs/dbraw/zinc/83/04/42/345830442.db2.gz XGMUGFZAAVOXCW-ZDUSSCGKSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071437 345830444 /nfs/dbraw/zinc/83/04/44/345830444.db2.gz XGMUGFZAAVOXCW-ZDUSSCGKSA-N 2 2 273.355 3.237 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071516 345831042 /nfs/dbraw/zinc/83/10/42/345831042.db2.gz UWEARDVQMWUJAD-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092071516 345831047 /nfs/dbraw/zinc/83/10/47/345831047.db2.gz UWEARDVQMWUJAD-LBPRGKRZSA-N 2 2 290.436 3.369 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC000093178600 345871566 /nfs/dbraw/zinc/87/15/66/345871566.db2.gz KJAKKXAOPOHGOJ-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(F)c2Cl)CC[N@H+]1C ZINC000093178600 345871567 /nfs/dbraw/zinc/87/15/67/345871567.db2.gz KJAKKXAOPOHGOJ-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178600 345871568 /nfs/dbraw/zinc/87/15/68/345871568.db2.gz KJAKKXAOPOHGOJ-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC000093178600 345871569 /nfs/dbraw/zinc/87/15/69/345871569.db2.gz KJAKKXAOPOHGOJ-YPMHNXCESA-N 2 2 284.806 3.394 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128250634 187360164 /nfs/dbraw/zinc/36/01/64/187360164.db2.gz JORMGCWVJVRPQM-SJORKVTESA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128250634 187360165 /nfs/dbraw/zinc/36/01/65/187360165.db2.gz JORMGCWVJVRPQM-SJORKVTESA-N 2 2 266.388 3.166 20 0 CGADLP CC[N@H+](Cc1ccoc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000102408397 345915977 /nfs/dbraw/zinc/91/59/77/345915977.db2.gz YKJDCWAUTZVVSO-UHFFFAOYSA-N 2 2 281.359 3.487 20 0 CGADLP CC[N@@H+](Cc1ccoc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000102408397 345915982 /nfs/dbraw/zinc/91/59/82/345915982.db2.gz YKJDCWAUTZVVSO-UHFFFAOYSA-N 2 2 281.359 3.487 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)oc1C ZINC000423507180 301418611 /nfs/dbraw/zinc/41/86/11/301418611.db2.gz PTLJYCORPYRHAC-FZMZJTMJSA-N 2 2 250.386 3.065 20 0 CGADLP COCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000177849233 232377499 /nfs/dbraw/zinc/37/74/99/232377499.db2.gz QNWOAMWQTLXFDD-IRXDYDNUSA-N 2 2 284.488 3.292 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000237154181 346345090 /nfs/dbraw/zinc/34/50/90/346345090.db2.gz SHMOZFZRVUGZGP-GOSISDBHSA-N 2 2 274.452 3.472 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211231 215016355 /nfs/dbraw/zinc/01/63/55/215016355.db2.gz GMOBLXOUOLPYNT-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211231 215016358 /nfs/dbraw/zinc/01/63/58/215016358.db2.gz GMOBLXOUOLPYNT-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211231 215016360 /nfs/dbraw/zinc/01/63/60/215016360.db2.gz GMOBLXOUOLPYNT-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3Cl)C2)C1 ZINC000339211231 215016361 /nfs/dbraw/zinc/01/63/61/215016361.db2.gz GMOBLXOUOLPYNT-HNNXBMFYSA-N 2 2 282.790 3.007 20 0 CGADLP c1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250818728 346386683 /nfs/dbraw/zinc/38/66/83/346386683.db2.gz QDELCNDZTPZUJM-QZTJIDSGSA-N 2 2 272.436 3.226 20 0 CGADLP c1ccc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250818728 346386686 /nfs/dbraw/zinc/38/66/86/346386686.db2.gz QDELCNDZTPZUJM-QZTJIDSGSA-N 2 2 272.436 3.226 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000251137549 346388032 /nfs/dbraw/zinc/38/80/32/346388032.db2.gz AQGKYQIJXIOWKP-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000251137549 346388035 /nfs/dbraw/zinc/38/80/35/346388035.db2.gz AQGKYQIJXIOWKP-IAGOWNOFSA-N 2 2 276.399 3.241 20 0 CGADLP CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000593654081 347100173 /nfs/dbraw/zinc/10/01/73/347100173.db2.gz PMEOSZWEVGUNBT-ZIAGYGMSSA-N 2 2 275.421 3.098 20 0 CGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000397468350 346583020 /nfs/dbraw/zinc/58/30/20/346583020.db2.gz PAOXCSYUVOVLJZ-LSDHHAIUSA-N 2 2 264.438 3.196 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000595034146 347264933 /nfs/dbraw/zinc/26/49/33/347264933.db2.gz VHAWKUYWSPSADQ-IJEWVQPXSA-N 2 2 298.471 3.359 20 0 CGADLP CSCC1CCC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000595056620 347271590 /nfs/dbraw/zinc/27/15/90/347271590.db2.gz OGRBIMGTVGQLEH-NRXISQOPSA-N 2 2 284.513 3.371 20 0 CGADLP CSCC1CCC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000595056620 347271593 /nfs/dbraw/zinc/27/15/93/347271593.db2.gz OGRBIMGTVGQLEH-NRXISQOPSA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599063593 347712840 /nfs/dbraw/zinc/71/28/40/347712840.db2.gz DLGKOBOCGNBZCQ-ZFWWWQNUSA-N 2 2 288.476 3.074 20 0 CGADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599063593 347712844 /nfs/dbraw/zinc/71/28/44/347712844.db2.gz DLGKOBOCGNBZCQ-ZFWWWQNUSA-N 2 2 288.476 3.074 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000600191373 347791749 /nfs/dbraw/zinc/79/17/49/347791749.db2.gz AKSYFAIOZQCRJK-OAHLLOKOSA-N 2 2 282.497 3.269 20 0 CGADLP CSC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000600191373 347791750 /nfs/dbraw/zinc/79/17/50/347791750.db2.gz AKSYFAIOZQCRJK-OAHLLOKOSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000607426662 348238034 /nfs/dbraw/zinc/23/80/34/348238034.db2.gz XMKOGSSYOOQINO-AWEZNQCLSA-N 2 2 287.407 3.182 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000607426662 348238038 /nfs/dbraw/zinc/23/80/38/348238038.db2.gz XMKOGSSYOOQINO-AWEZNQCLSA-N 2 2 287.407 3.182 20 0 CGADLP Cn1cc[nH+]c1C[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000608094340 348285756 /nfs/dbraw/zinc/28/57/56/348285756.db2.gz XMAQTPGRYJJIQG-HNNXBMFYSA-N 2 2 278.359 3.211 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000608582511 348318997 /nfs/dbraw/zinc/31/89/97/348318997.db2.gz LOQZHQBKWCIPOB-OAHLLOKOSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000608582511 348319000 /nfs/dbraw/zinc/31/90/00/348319000.db2.gz LOQZHQBKWCIPOB-OAHLLOKOSA-N 2 2 268.404 3.271 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188593 349996170 /nfs/dbraw/zinc/99/61/70/349996170.db2.gz XRYOSXSCAAKBLO-YPMHNXCESA-N 2 2 278.362 3.324 20 0 CGADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188593 349996171 /nfs/dbraw/zinc/99/61/71/349996171.db2.gz XRYOSXSCAAKBLO-YPMHNXCESA-N 2 2 278.362 3.324 20 0 CGADLP C[NH+]1CCC([NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000624344150 350030816 /nfs/dbraw/zinc/03/08/16/350030816.db2.gz GOWBVHPHFAKPFF-UHFFFAOYSA-N 2 2 280.362 3.028 20 0 CGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000359509809 233325672 /nfs/dbraw/zinc/32/56/72/233325672.db2.gz IGBSKGNGJLHYBM-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000628214086 350443571 /nfs/dbraw/zinc/44/35/71/350443571.db2.gz JWVAVELLCDDGQQ-HUUCEWRRSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000628214086 350443573 /nfs/dbraw/zinc/44/35/73/350443573.db2.gz JWVAVELLCDDGQQ-HUUCEWRRSA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc([C@@H](C)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000628280275 350475175 /nfs/dbraw/zinc/47/51/75/350475175.db2.gz YQBZFZSKQOMNKN-INIZCTEOSA-N 2 2 271.408 3.317 20 0 CGADLP Cc1ccc([C@@H](C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000628280275 350475181 /nfs/dbraw/zinc/47/51/81/350475181.db2.gz YQBZFZSKQOMNKN-INIZCTEOSA-N 2 2 271.408 3.317 20 0 CGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280591 350476466 /nfs/dbraw/zinc/47/64/66/350476466.db2.gz WUUSOIQFYYVKLM-NVXWUHKLSA-N 2 2 283.419 3.322 20 0 CGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000628280591 350476468 /nfs/dbraw/zinc/47/64/68/350476468.db2.gz WUUSOIQFYYVKLM-NVXWUHKLSA-N 2 2 283.419 3.322 20 0 CGADLP CC[N@H+](CCC[NH2+]Cc1cnc(C)o1)C1CCCCC1 ZINC000628324530 350501173 /nfs/dbraw/zinc/50/11/73/350501173.db2.gz XTZYWJKBMXTVGH-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP CC[N@@H+](CCC[NH2+]Cc1cnc(C)o1)C1CCCCC1 ZINC000628324530 350501176 /nfs/dbraw/zinc/50/11/76/350501176.db2.gz XTZYWJKBMXTVGH-UHFFFAOYSA-N 2 2 279.428 3.117 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccsc32)C[NH2+]1 ZINC000629536280 350705232 /nfs/dbraw/zinc/70/52/32/350705232.db2.gz FCRAYIWBDBWQTR-KZVDOYCCSA-N 2 2 264.438 3.417 20 0 CGADLP Cc1ccc2ncc(C[NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)cc2c1 ZINC000629538903 350706556 /nfs/dbraw/zinc/70/65/56/350706556.db2.gz WLROPAZUIJZJRU-PMUMKWKESA-N 2 2 283.419 3.019 20 0 CGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1SC ZINC000629540158 350706636 /nfs/dbraw/zinc/70/66/36/350706636.db2.gz RCHMWQNMNZCFDM-DYEKYZERSA-N 2 2 294.464 3.208 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000629547133 350710070 /nfs/dbraw/zinc/71/00/70/350710070.db2.gz GRHZMHIVXWWZND-LPEHRKFASA-N 2 2 258.818 3.193 20 0 CGADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629548888 350710908 /nfs/dbraw/zinc/71/09/08/350710908.db2.gz RQRFCVLELYTXFN-JKIFEVAISA-N 2 2 276.424 3.122 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1OC ZINC000629549470 350710996 /nfs/dbraw/zinc/71/09/96/350710996.db2.gz WHIZPHKYAOWBHL-ZLKJLUDKSA-N 2 2 282.815 3.140 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C[NH2+]1 ZINC000629393836 350687502 /nfs/dbraw/zinc/68/75/02/350687502.db2.gz CPFUZOPHCFZHLJ-CXAGYDPISA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C[NH2+]1 ZINC000629419357 350691072 /nfs/dbraw/zinc/69/10/72/350691072.db2.gz YDOFIULTVJYVPI-MNOVXSKESA-N 2 2 293.461 3.102 20 0 CGADLP Cc1cc(-c2ccc(N3CCCC3)[nH+]c2)cc(C)c1C[NH3+] ZINC000629709955 350748634 /nfs/dbraw/zinc/74/86/34/350748634.db2.gz OKTMRKRVFABLLU-UHFFFAOYSA-N 2 2 281.403 3.424 20 0 CGADLP CCSc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629660490 350732566 /nfs/dbraw/zinc/73/25/66/350732566.db2.gz UZJMEESHPBJPDC-JSGCOSHPSA-N 2 2 264.438 3.029 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)c1 ZINC000631142046 350967955 /nfs/dbraw/zinc/96/79/55/350967955.db2.gz ZWPTUZIMYIURQZ-YIEVGGLXSA-N 2 2 295.430 3.495 20 0 CGADLP Cc1cc(C)c(/C=C\C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)c1 ZINC000631142046 350967960 /nfs/dbraw/zinc/96/79/60/350967960.db2.gz ZWPTUZIMYIURQZ-YIEVGGLXSA-N 2 2 295.430 3.495 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(C)ccn1 ZINC000631621883 351093731 /nfs/dbraw/zinc/09/37/31/351093731.db2.gz NGVDAIYLIHKUSP-CABCVRRESA-N 2 2 284.407 3.032 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433753 191135580 /nfs/dbraw/zinc/13/55/80/191135580.db2.gz CFYQWPIKHCMEQE-GLJUWKHASA-N 2 2 288.435 3.096 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000271433753 191135581 /nfs/dbraw/zinc/13/55/81/191135581.db2.gz CFYQWPIKHCMEQE-GLJUWKHASA-N 2 2 288.435 3.096 20 0 CGADLP CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996658 351620666 /nfs/dbraw/zinc/62/06/66/351620666.db2.gz QCCZNGZZRAKTBN-HQVVEAJESA-N 2 2 270.420 3.007 20 0 CGADLP CC1(C)[C@H](c2ccccc2)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996658 351620672 /nfs/dbraw/zinc/62/06/72/351620672.db2.gz QCCZNGZZRAKTBN-HQVVEAJESA-N 2 2 270.420 3.007 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)c2ccccc21 ZINC000635009268 351627238 /nfs/dbraw/zinc/62/72/38/351627238.db2.gz MTAJNUYKVKEMRO-GJZGRUSLSA-N 2 2 274.314 3.199 20 0 CGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000635009704 351627648 /nfs/dbraw/zinc/62/76/48/351627648.db2.gz ZBAOXOLLUOYGHQ-QCZZGDTMSA-N 2 2 273.405 3.247 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352255681 219383632 /nfs/dbraw/zinc/38/36/32/219383632.db2.gz ATNKGHKYSXOZBS-CYBMUJFWSA-N 2 2 289.448 3.364 20 0 CGADLP C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271447606 191142086 /nfs/dbraw/zinc/14/20/86/191142086.db2.gz FGODEGWGFTVQPP-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000123065218 187069395 /nfs/dbraw/zinc/06/93/95/187069395.db2.gz KVKSNZQFRYGDRY-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)F)CC[N@H+]1C ZINC000123065218 187069396 /nfs/dbraw/zinc/06/93/96/187069396.db2.gz KVKSNZQFRYGDRY-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123065218 187069397 /nfs/dbraw/zinc/06/93/97/187069397.db2.gz KVKSNZQFRYGDRY-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)CC[NH+]1C ZINC000123065218 187069398 /nfs/dbraw/zinc/06/93/98/187069398.db2.gz KVKSNZQFRYGDRY-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+](C)CCn1cc[nH+]c1 ZINC000122512829 187035983 /nfs/dbraw/zinc/03/59/83/187035983.db2.gz OCKFZRDSYPLEBG-UHFFFAOYSA-N 2 2 283.375 3.324 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000122512829 187035984 /nfs/dbraw/zinc/03/59/84/187035984.db2.gz OCKFZRDSYPLEBG-UHFFFAOYSA-N 2 2 283.375 3.324 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000271541963 191202396 /nfs/dbraw/zinc/20/23/96/191202396.db2.gz QYOZXXFIGHCMGC-MRXNPFEDSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000271558933 191212565 /nfs/dbraw/zinc/21/25/65/191212565.db2.gz WMJXVGCFHXLSAU-QGZVFWFLSA-N 2 2 270.351 3.349 20 0 CGADLP COCCCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271561029 191212145 /nfs/dbraw/zinc/21/21/45/191212145.db2.gz NDIBZMMSFRGFNR-UHFFFAOYSA-N 2 2 292.467 3.303 20 0 CGADLP COCCCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271561029 191212147 /nfs/dbraw/zinc/21/21/47/191212147.db2.gz NDIBZMMSFRGFNR-UHFFFAOYSA-N 2 2 292.467 3.303 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@H+]1C ZINC000336468210 213337415 /nfs/dbraw/zinc/33/74/15/213337415.db2.gz ZCEWIWYDIBJBKW-CMPLNLGQSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)CC[N@@H+]1C ZINC000336468210 213337413 /nfs/dbraw/zinc/33/74/13/213337413.db2.gz ZCEWIWYDIBJBKW-CMPLNLGQSA-N 2 2 293.411 3.008 20 0 CGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439117 234215108 /nfs/dbraw/zinc/21/51/08/234215108.db2.gz RNWXHYHOJIGIQZ-CQSZACIVSA-N 2 2 299.418 3.036 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1cnccn1)[N@H+](C)Cc1ccccc1 ZINC000156209602 188249827 /nfs/dbraw/zinc/24/98/27/188249827.db2.gz VBCLYXVELNZTAJ-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H](CC[NH2+][C@H](C)c1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000156209602 188249828 /nfs/dbraw/zinc/24/98/28/188249828.db2.gz VBCLYXVELNZTAJ-HZPDHXFCSA-N 2 2 298.434 3.038 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@@H+]1C1CC1 ZINC000156352664 188257716 /nfs/dbraw/zinc/25/77/16/188257716.db2.gz QHLMSCWAVPDMBZ-HOCLYGCPSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@H+]1C1CC1 ZINC000156352664 188257718 /nfs/dbraw/zinc/25/77/18/188257718.db2.gz QHLMSCWAVPDMBZ-HOCLYGCPSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@@H+]1C1CC1 ZINC000156352907 188257978 /nfs/dbraw/zinc/25/79/78/188257978.db2.gz QHLMSCWAVPDMBZ-GOEBONIOSA-N 2 2 297.446 3.315 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C[N@H+]1C1CC1 ZINC000156352907 188257979 /nfs/dbraw/zinc/25/79/79/188257979.db2.gz QHLMSCWAVPDMBZ-GOEBONIOSA-N 2 2 297.446 3.315 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4occc43)n2c1 ZINC000155796279 188227685 /nfs/dbraw/zinc/22/76/85/188227685.db2.gz TWUOGAQLFRMJAP-OAHLLOKOSA-N 2 2 281.359 3.403 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457891 283001102 /nfs/dbraw/zinc/00/11/02/283001102.db2.gz UBAURVQPESDLPZ-BBRMVZONSA-N 2 2 285.366 3.416 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000267457891 283001105 /nfs/dbraw/zinc/00/11/05/283001105.db2.gz UBAURVQPESDLPZ-BBRMVZONSA-N 2 2 285.366 3.416 20 0 CGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCC2 ZINC000271822226 191348675 /nfs/dbraw/zinc/34/86/75/191348675.db2.gz CKLJEOBIRLTXTB-SJORKVTESA-N 2 2 288.435 3.260 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189061367 295907302 /nfs/dbraw/zinc/90/73/02/295907302.db2.gz PEKFSFITCIXZSH-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414120214 235341056 /nfs/dbraw/zinc/34/10/56/235341056.db2.gz BCRHRGAKHWSERG-QGZVFWFLSA-N 2 2 283.419 3.247 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1(C)C ZINC000273550738 192200526 /nfs/dbraw/zinc/20/05/26/192200526.db2.gz AUYXHIQEFQVUAG-CQSZACIVSA-N 2 2 284.407 3.135 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1(C)C ZINC000273550738 192200529 /nfs/dbraw/zinc/20/05/29/192200529.db2.gz AUYXHIQEFQVUAG-CQSZACIVSA-N 2 2 284.407 3.135 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000091307939 138343562 /nfs/dbraw/zinc/34/35/62/138343562.db2.gz ZPTHNZCDYSWIPC-WBVHZDCISA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000091307939 138343563 /nfs/dbraw/zinc/34/35/63/138343563.db2.gz ZPTHNZCDYSWIPC-WBVHZDCISA-N 2 2 276.424 3.076 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1nccs1 ZINC000093516620 138347041 /nfs/dbraw/zinc/34/70/41/138347041.db2.gz PZFNOSJPUOBHRZ-RDBSUJKOSA-N 2 2 281.469 3.495 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861281 138349175 /nfs/dbraw/zinc/34/91/75/138349175.db2.gz WZSXHROZIJKIQX-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861281 138349176 /nfs/dbraw/zinc/34/91/76/138349176.db2.gz WZSXHROZIJKIQX-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@@H](C[NH2+]Cc1cccc(Cl)c1F)C[NH+]1CCCC1 ZINC000125105592 138379541 /nfs/dbraw/zinc/37/95/41/138379541.db2.gz YHYXGKVFQBKFQK-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP Cc1oncc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000129938226 138398767 /nfs/dbraw/zinc/39/87/67/138398767.db2.gz XAKKHQAZALPPIV-LBPRGKRZSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000129921195 138398791 /nfs/dbraw/zinc/39/87/91/138398791.db2.gz QXQWZPXZODDJMO-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1F ZINC000129921195 138398792 /nfs/dbraw/zinc/39/87/92/138398792.db2.gz QXQWZPXZODDJMO-MDZLAQPJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)cc(Cl)c1 ZINC000423229404 236003397 /nfs/dbraw/zinc/00/33/97/236003397.db2.gz BEUYHRGMYQZPKJ-NOZJJQNGSA-N 2 2 273.207 3.396 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423252561 236009833 /nfs/dbraw/zinc/00/98/33/236009833.db2.gz XPWFPWSHYGTRKW-RHSMWYFYSA-N 2 2 284.403 3.436 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-c2ccccc2)o1 ZINC000423290321 236025673 /nfs/dbraw/zinc/02/56/73/236025673.db2.gz ZQOHFFHVXLWPHG-LBPRGKRZSA-N 2 2 258.365 3.335 20 0 CGADLP COCC[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423322766 236038038 /nfs/dbraw/zinc/03/80/38/236038038.db2.gz GWWHUDCFZUFVCJ-INIZCTEOSA-N 2 2 296.842 3.007 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423358241 236049079 /nfs/dbraw/zinc/04/90/79/236049079.db2.gz JAWJKRMJZOHTCA-DDTOSNHZSA-N 2 2 296.867 3.465 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408122 236066509 /nfs/dbraw/zinc/06/65/09/236066509.db2.gz WZVYSNROMJMLQY-QISBLDNZSA-N 2 2 268.404 3.474 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423426100 236069504 /nfs/dbraw/zinc/06/95/04/236069504.db2.gz MRLOBCKWIROBQD-MSOLQXFVSA-N 2 2 270.420 3.042 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423439870 236070947 /nfs/dbraw/zinc/07/09/47/236070947.db2.gz VNABUZVNYKVPJK-RCCFBDPRSA-N 2 2 270.420 3.042 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423542838 236096413 /nfs/dbraw/zinc/09/64/13/236096413.db2.gz BDORNWBYWMIOHG-SMDDNHRTSA-N 2 2 252.789 3.133 20 0 CGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000424379298 236159045 /nfs/dbraw/zinc/15/90/45/236159045.db2.gz VHTABENDKOWEGP-PNKHAZJDSA-N 2 2 288.410 3.134 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000424300555 236144200 /nfs/dbraw/zinc/14/42/00/236144200.db2.gz WSBJOZJWCNSXHE-VXGBXAGGSA-N 2 2 273.207 3.353 20 0 CGADLP CS[C@H]1CC[C@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000425332536 236230860 /nfs/dbraw/zinc/23/08/60/236230860.db2.gz BLOHVQXIHFHNSD-ZBFHGGJFSA-N 2 2 289.448 3.218 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)CCCC2 ZINC000427856045 236350581 /nfs/dbraw/zinc/35/05/81/236350581.db2.gz UXKMHQUBUKIRPP-KDOFPFPSSA-N 2 2 295.430 3.428 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296355648 199864710 /nfs/dbraw/zinc/86/47/10/199864710.db2.gz IMWTWWMBAWXHPG-UONOGXRCSA-N 2 2 287.407 3.072 20 0 CGADLP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000296942675 200041669 /nfs/dbraw/zinc/04/16/69/200041669.db2.gz QMMGHUSVGCCRQE-CZUORRHYSA-N 2 2 284.407 3.371 20 0 CGADLP C[C@H](CCc1ccccc1F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437086370 237245816 /nfs/dbraw/zinc/24/58/16/237245816.db2.gz KMGDYALJIXRQFF-CQSZACIVSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1c1cccc(F)c1 ZINC000297310291 200143674 /nfs/dbraw/zinc/14/36/74/200143674.db2.gz BUHLLTVIEKGXGC-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1c1cccc(F)c1 ZINC000297310291 200143675 /nfs/dbraw/zinc/14/36/75/200143675.db2.gz BUHLLTVIEKGXGC-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000297564031 200228996 /nfs/dbraw/zinc/22/89/96/200228996.db2.gz CKZOETJVIWXFLC-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000297564031 200228998 /nfs/dbraw/zinc/22/89/98/200228998.db2.gz CKZOETJVIWXFLC-SFHVURJKSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000297564028 200229117 /nfs/dbraw/zinc/22/91/17/200229117.db2.gz CKZOETJVIWXFLC-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000297564028 200229118 /nfs/dbraw/zinc/22/91/18/200229118.db2.gz CKZOETJVIWXFLC-GOSISDBHSA-N 2 2 283.419 3.417 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177956175 189081749 /nfs/dbraw/zinc/08/17/49/189081749.db2.gz WEOJDFMUDJNDOY-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP COCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177956175 189081750 /nfs/dbraw/zinc/08/17/50/189081750.db2.gz WEOJDFMUDJNDOY-AEFFLSMTSA-N 2 2 290.451 3.056 20 0 CGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000178700381 189138401 /nfs/dbraw/zinc/13/84/01/189138401.db2.gz QJLVGJBTHLCCGD-LBPRGKRZSA-N 2 2 257.381 3.274 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179314359 189185565 /nfs/dbraw/zinc/18/55/65/189185565.db2.gz YVHHLPVGFXENMN-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179314359 189185566 /nfs/dbraw/zinc/18/55/66/189185566.db2.gz YVHHLPVGFXENMN-INIZCTEOSA-N 2 2 255.365 3.029 20 0 CGADLP COCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000179474466 189196716 /nfs/dbraw/zinc/19/67/16/189196716.db2.gz MCLQHGSRIQOLDW-YJBOKZPZSA-N 2 2 299.418 3.113 20 0 CGADLP COCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000179474466 189196717 /nfs/dbraw/zinc/19/67/17/189196717.db2.gz MCLQHGSRIQOLDW-YJBOKZPZSA-N 2 2 299.418 3.113 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000179632943 189208815 /nfs/dbraw/zinc/20/88/15/189208815.db2.gz SIXYDZIPCHIHMW-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000179632943 189208816 /nfs/dbraw/zinc/20/88/16/189208816.db2.gz SIXYDZIPCHIHMW-LLVKDONJSA-N 2 2 287.234 3.377 20 0 CGADLP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180638242 189267235 /nfs/dbraw/zinc/26/72/35/189267235.db2.gz OQURHBOQITVFJG-QGZVFWFLSA-N 2 2 294.402 3.400 20 0 CGADLP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180638242 189267236 /nfs/dbraw/zinc/26/72/36/189267236.db2.gz OQURHBOQITVFJG-QGZVFWFLSA-N 2 2 294.402 3.400 20 0 CGADLP CN(C)c1cccc(C[N@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000180639300 189267735 /nfs/dbraw/zinc/26/77/35/189267735.db2.gz NIYRNQZSQFWUDT-UHFFFAOYSA-N 2 2 294.402 3.032 20 0 CGADLP CN(C)c1cccc(C[N@@H+](C)Cc2cccc3[nH+]ccn32)c1 ZINC000180639300 189267736 /nfs/dbraw/zinc/26/77/36/189267736.db2.gz NIYRNQZSQFWUDT-UHFFFAOYSA-N 2 2 294.402 3.032 20 0 CGADLP CSCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180646820 189268250 /nfs/dbraw/zinc/26/82/50/189268250.db2.gz RBPXVEKWYIMYER-ZDUSSCGKSA-N 2 2 275.421 3.276 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)nc1 ZINC000181374139 189294649 /nfs/dbraw/zinc/29/46/49/189294649.db2.gz WXMOVRCRWRBSRS-NSHDSACASA-N 2 2 279.815 3.012 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181118573 189289012 /nfs/dbraw/zinc/28/90/12/189289012.db2.gz XWAZFPJZCRCHOM-LSDHHAIUSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181118573 189289013 /nfs/dbraw/zinc/28/90/13/189289013.db2.gz XWAZFPJZCRCHOM-LSDHHAIUSA-N 2 2 299.418 3.307 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000181149986 189289557 /nfs/dbraw/zinc/28/95/57/189289557.db2.gz QXOOTKWGLMXJPY-SQWLQELKSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000181149986 189289558 /nfs/dbraw/zinc/28/95/58/189289558.db2.gz QXOOTKWGLMXJPY-SQWLQELKSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000181149986 189289559 /nfs/dbraw/zinc/28/95/59/189289559.db2.gz QXOOTKWGLMXJPY-SQWLQELKSA-N 2 2 299.418 3.305 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181149986 189289560 /nfs/dbraw/zinc/28/95/60/189289560.db2.gz QXOOTKWGLMXJPY-SQWLQELKSA-N 2 2 299.418 3.305 20 0 CGADLP Cn1c[nH+]cc1CNc1[nH+]c2ccccc2n1C1CCCC1 ZINC000181524460 189298787 /nfs/dbraw/zinc/29/87/87/189298787.db2.gz CBWYCQIZMJYIBU-UHFFFAOYSA-N 2 2 295.390 3.497 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1F ZINC000181599848 189302445 /nfs/dbraw/zinc/30/24/45/189302445.db2.gz MXSBOWRHGUBNQN-AAEUAGOBSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1F ZINC000181599848 189302446 /nfs/dbraw/zinc/30/24/46/189302446.db2.gz MXSBOWRHGUBNQN-AAEUAGOBSA-N 2 2 268.351 3.100 20 0 CGADLP Cc1cccc2[nH+]c(CNc3cc[nH+]cc3Cl)cn21 ZINC000301519035 201043439 /nfs/dbraw/zinc/04/34/39/201043439.db2.gz MOFKUTCABLMOLS-UHFFFAOYSA-N 2 2 272.739 3.303 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301538005 201056331 /nfs/dbraw/zinc/05/63/31/201056331.db2.gz MIANBKPXYNKALQ-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP CC[N@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301538005 201056333 /nfs/dbraw/zinc/05/63/33/201056333.db2.gz MIANBKPXYNKALQ-AWEZNQCLSA-N 2 2 276.428 3.195 20 0 CGADLP C[NH+](C)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301596763 201087546 /nfs/dbraw/zinc/08/75/46/201087546.db2.gz ZNUMFJNZMNEERC-RYUDHWBXSA-N 2 2 287.329 3.385 20 0 CGADLP Cc1ccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1 ZINC000301630930 201105580 /nfs/dbraw/zinc/10/55/80/201105580.db2.gz BMUGXYPYGJRAOU-KRWDZBQOSA-N 2 2 298.434 3.425 20 0 CGADLP FC(F)C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000183184225 189349046 /nfs/dbraw/zinc/34/90/46/189349046.db2.gz SGNFWSGJPLSXIE-UHFFFAOYSA-N 2 2 279.334 3.041 20 0 CGADLP FC(F)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000183184225 189349047 /nfs/dbraw/zinc/34/90/47/189349047.db2.gz SGNFWSGJPLSXIE-UHFFFAOYSA-N 2 2 279.334 3.041 20 0 CGADLP c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n(C2CCCC2)n1 ZINC000449018696 239116990 /nfs/dbraw/zinc/11/69/90/239116990.db2.gz KPDFIVBOXMRANK-UHFFFAOYSA-N 2 2 299.422 3.101 20 0 CGADLP Cc1cccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000449015877 239117640 /nfs/dbraw/zinc/11/76/40/239117640.db2.gz FYDVECIHGJNPJZ-GOSISDBHSA-N 2 2 295.430 3.367 20 0 CGADLP Cc1cccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000449015877 239117644 /nfs/dbraw/zinc/11/76/44/239117644.db2.gz FYDVECIHGJNPJZ-GOSISDBHSA-N 2 2 295.430 3.367 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103414 239179065 /nfs/dbraw/zinc/17/90/65/239179065.db2.gz QFHLHRHSKKEZDD-HIFRSBDPSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103414 239179068 /nfs/dbraw/zinc/17/90/68/239179068.db2.gz QFHLHRHSKKEZDD-HIFRSBDPSA-N 2 2 272.392 3.048 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000449381420 239369094 /nfs/dbraw/zinc/36/90/94/239369094.db2.gz YSUKJQZDSLAFMB-HYVNUMGLSA-N 2 2 284.447 3.321 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C[N@H+]1C1CC1 ZINC000449381420 239369097 /nfs/dbraw/zinc/36/90/97/239369097.db2.gz YSUKJQZDSLAFMB-HYVNUMGLSA-N 2 2 284.447 3.321 20 0 CGADLP C[N@H+](Cc1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120021839 370732128 /nfs/dbraw/zinc/73/21/28/370732128.db2.gz AJHSHYOAORXVQL-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[N@@H+](Cc1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120021839 370732131 /nfs/dbraw/zinc/73/21/31/370732131.db2.gz AJHSHYOAORXVQL-UHFFFAOYSA-N 2 2 295.430 3.178 20 0 CGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cc1Cl ZINC000423285213 299349230 /nfs/dbraw/zinc/34/92/30/299349230.db2.gz YAPANCYZUNXUME-SDBXPKJASA-N 2 2 273.207 3.381 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631971 240009924 /nfs/dbraw/zinc/00/99/24/240009924.db2.gz JKTCMXZXLQNWIR-KBPBESRZSA-N 2 2 297.393 3.110 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450631971 240009930 /nfs/dbraw/zinc/00/99/30/240009930.db2.gz JKTCMXZXLQNWIR-KBPBESRZSA-N 2 2 297.393 3.110 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275624830 193088362 /nfs/dbraw/zinc/08/83/62/193088362.db2.gz INDCQPAYQBSMPC-DJIMGWMZSA-N 2 2 269.392 3.198 20 0 CGADLP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)OCC1CCCC1 ZINC000459300746 242062144 /nfs/dbraw/zinc/06/21/44/242062144.db2.gz MEFWEISUAIDFTJ-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP CC(C)CC[N@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459319406 242069665 /nfs/dbraw/zinc/06/96/65/242069665.db2.gz DFHXSJGPFDNSDQ-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)CC[N@@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459319406 242069669 /nfs/dbraw/zinc/06/96/69/242069669.db2.gz DFHXSJGPFDNSDQ-UHFFFAOYSA-N 2 2 263.429 3.253 20 0 CGADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000459346761 242081464 /nfs/dbraw/zinc/08/14/64/242081464.db2.gz UXLIUIQRCKWLGG-YJBOKZPZSA-N 2 2 283.419 3.088 20 0 CGADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[C@@H]1c1ccccc1 ZINC000459346761 242081471 /nfs/dbraw/zinc/08/14/71/242081471.db2.gz UXLIUIQRCKWLGG-YJBOKZPZSA-N 2 2 283.419 3.088 20 0 CGADLP CC(C)C[C@@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459346767 242082799 /nfs/dbraw/zinc/08/27/99/242082799.db2.gz UYOPSPDJEICYFH-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459346767 242082803 /nfs/dbraw/zinc/08/28/03/242082803.db2.gz UYOPSPDJEICYFH-HNNXBMFYSA-N 2 2 263.429 3.253 20 0 CGADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000459641854 242160421 /nfs/dbraw/zinc/16/04/21/242160421.db2.gz BCFGUDGEDLMSOL-OAHLLOKOSA-N 2 2 294.402 3.230 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668055 242170447 /nfs/dbraw/zinc/17/04/47/242170447.db2.gz TUIFQJWFNPBKDJ-UHFFFAOYSA-N 2 2 297.324 3.080 20 0 CGADLP CCOC[C@@H]1CCCC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000459670193 242171437 /nfs/dbraw/zinc/17/14/37/242171437.db2.gz FGYSDIUHJGATNZ-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CCOC[C@@H]1CCCC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000459670193 242171442 /nfs/dbraw/zinc/17/14/42/242171442.db2.gz FGYSDIUHJGATNZ-KRWDZBQOSA-N 2 2 276.424 3.214 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)C(C)C)[C@@H](C)C1 ZINC000480163157 243140199 /nfs/dbraw/zinc/14/01/99/243140199.db2.gz WIJBSAGGCAPMQB-WBAXXEDZSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2ccc(OC)cc2)C(C)C)[C@@H](C)C1 ZINC000480163157 243140201 /nfs/dbraw/zinc/14/02/01/243140201.db2.gz WIJBSAGGCAPMQB-WBAXXEDZSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)[C@@H](C)C1 ZINC000480163155 243140247 /nfs/dbraw/zinc/14/02/47/243140247.db2.gz WIJBSAGGCAPMQB-JCGIZDLHSA-N 2 2 290.451 3.322 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2ccc(OC)cc2)C(C)C)[C@@H](C)C1 ZINC000480163155 243140248 /nfs/dbraw/zinc/14/02/48/243140248.db2.gz WIJBSAGGCAPMQB-JCGIZDLHSA-N 2 2 290.451 3.322 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739888 243205486 /nfs/dbraw/zinc/20/54/86/243205486.db2.gz UDUBWNUPOWHAGE-KCXAZCMYSA-N 2 2 278.415 3.453 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000481739888 243205489 /nfs/dbraw/zinc/20/54/89/243205489.db2.gz UDUBWNUPOWHAGE-KCXAZCMYSA-N 2 2 278.415 3.453 20 0 CGADLP COC[C@H](CC(C)C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481948495 243210701 /nfs/dbraw/zinc/21/07/01/243210701.db2.gz AMRFMQQIOGVGPA-ROUUACIJSA-N 2 2 292.467 3.248 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000484490833 243315086 /nfs/dbraw/zinc/31/50/86/243315086.db2.gz YLFDISXGEQTXRC-RDJZCZTQSA-N 2 2 292.492 3.391 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC000484491397 243315893 /nfs/dbraw/zinc/31/58/93/243315893.db2.gz LGIXVPSYWNOASP-WBVHZDCISA-N 2 2 292.492 3.391 20 0 CGADLP C(=C/c1ccncc1)\C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000486929924 243379715 /nfs/dbraw/zinc/37/97/15/243379715.db2.gz BDROUQBHUCVMLE-ONEGZZNKSA-N 2 2 290.370 3.070 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CC1(C)C ZINC000486932165 243380073 /nfs/dbraw/zinc/38/00/73/243380073.db2.gz GFFSNPZHTHHYBL-UKRRQHHQSA-N 2 2 269.392 3.397 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019843418 368772084 /nfs/dbraw/zinc/77/20/84/368772084.db2.gz CRTRABVLSOMQBD-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000019843418 368772091 /nfs/dbraw/zinc/77/20/91/368772091.db2.gz CRTRABVLSOMQBD-JTQLQIEISA-N 2 2 273.207 3.164 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036996848 369048282 /nfs/dbraw/zinc/04/82/82/369048282.db2.gz LPIUWFRFLIXYKC-BHYGNILZSA-N 2 2 288.435 3.281 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000036996848 369048285 /nfs/dbraw/zinc/04/82/85/369048285.db2.gz LPIUWFRFLIXYKC-BHYGNILZSA-N 2 2 288.435 3.281 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000036932166 369040429 /nfs/dbraw/zinc/04/04/29/369040429.db2.gz XTKJCDGICKCPNZ-GDBMZVCRSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000037158167 369072441 /nfs/dbraw/zinc/07/24/41/369072441.db2.gz MDJTYMYXUNLGIW-VXGBXAGGSA-N 2 2 295.333 3.224 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000037157486 369072897 /nfs/dbraw/zinc/07/28/97/369072897.db2.gz XLXVKBTWDNUYOB-CHWSQXEVSA-N 2 2 269.348 3.369 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000037157166 369073389 /nfs/dbraw/zinc/07/33/89/369073389.db2.gz KFCFMZAEQLQDCU-LLVKDONJSA-N 2 2 283.297 3.080 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037157318 369073426 /nfs/dbraw/zinc/07/34/26/369073426.db2.gz NMPGQHWLGCQEQE-TZMCWYRMSA-N 2 2 273.405 3.098 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649262 369097718 /nfs/dbraw/zinc/09/77/18/369097718.db2.gz VEWOAHHAPIUGAS-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1F ZINC000037649262 369097721 /nfs/dbraw/zinc/09/77/21/369097721.db2.gz VEWOAHHAPIUGAS-VXGBXAGGSA-N 2 2 280.362 3.100 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000037021651 369052802 /nfs/dbraw/zinc/05/28/02/369052802.db2.gz CPTITGJUJYPYDM-PBHICJAKSA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000037021651 369052806 /nfs/dbraw/zinc/05/28/06/369052806.db2.gz CPTITGJUJYPYDM-PBHICJAKSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC000037979081 369131038 /nfs/dbraw/zinc/13/10/38/369131038.db2.gz MFDUUPGTRKASRW-UHFFFAOYSA-N 2 2 296.842 3.313 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685217 369267045 /nfs/dbraw/zinc/26/70/45/369267045.db2.gz HEVHDXNYOZULMU-TZMCWYRMSA-N 2 2 276.449 3.296 20 0 CGADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685217 369267051 /nfs/dbraw/zinc/26/70/51/369267051.db2.gz HEVHDXNYOZULMU-TZMCWYRMSA-N 2 2 276.449 3.296 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2c(C)c1 ZINC000494403757 244286080 /nfs/dbraw/zinc/28/60/80/244286080.db2.gz IKZRLFDBEGPPIM-CQSZACIVSA-N 2 2 294.402 3.086 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000494438490 244289535 /nfs/dbraw/zinc/28/95/35/244289535.db2.gz XJJLKADORPOBFE-CYBMUJFWSA-N 2 2 283.400 3.202 20 0 CGADLP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000045663087 369283771 /nfs/dbraw/zinc/28/37/71/369283771.db2.gz ZJQMEJWYFGXUTK-LBPRGKRZSA-N 2 2 254.805 3.332 20 0 CGADLP Cc1ccc(C2CC([NH2+]CCCC[NH+](C)C)C2)cc1 ZINC000045663904 369283809 /nfs/dbraw/zinc/28/38/09/369283809.db2.gz GDHXNJHYQQRRFV-UHFFFAOYSA-N 2 2 260.425 3.172 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@H+](C)[C@H]3C)cc2s1 ZINC000494845230 244322599 /nfs/dbraw/zinc/32/25/99/244322599.db2.gz GHYKAQOJHIZFJF-SMDDNHRTSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@@H+](C)[C@H]3C)cc2s1 ZINC000494845230 244322602 /nfs/dbraw/zinc/32/26/02/244322602.db2.gz GHYKAQOJHIZFJF-SMDDNHRTSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@H+](C)[C@@H]3C)cc2s1 ZINC000494845229 244323217 /nfs/dbraw/zinc/32/32/17/244323217.db2.gz GHYKAQOJHIZFJF-RISCZKNCSA-N 2 2 289.448 3.177 20 0 CGADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@@H+](C)[C@@H]3C)cc2s1 ZINC000494845229 244323220 /nfs/dbraw/zinc/32/32/20/244323220.db2.gz GHYKAQOJHIZFJF-RISCZKNCSA-N 2 2 289.448 3.177 20 0 CGADLP Fc1cncc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000494575111 244301232 /nfs/dbraw/zinc/30/12/32/244301232.db2.gz PUIFBWCVUWJWFS-GOSISDBHSA-N 2 2 299.393 3.147 20 0 CGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1F ZINC000495091251 244355507 /nfs/dbraw/zinc/35/55/07/244355507.db2.gz CEPMCFOLWGBFSN-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1F ZINC000495091251 244355513 /nfs/dbraw/zinc/35/55/13/244355513.db2.gz CEPMCFOLWGBFSN-UHFFFAOYSA-N 2 2 294.414 3.141 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc2ccccc12 ZINC000047892447 369331587 /nfs/dbraw/zinc/33/15/87/369331587.db2.gz UPDKPIYIKZQXSF-GFCCVEGCSA-N 2 2 271.389 3.276 20 0 CGADLP Cc1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)o1 ZINC000061014772 369595605 /nfs/dbraw/zinc/59/56/05/369595605.db2.gz LBZALXALOGYPRE-UHFFFAOYSA-N 2 2 283.375 3.426 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188363 369641766 /nfs/dbraw/zinc/64/17/66/369641766.db2.gz VXUVDVFLLALYPB-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188363 369641772 /nfs/dbraw/zinc/64/17/72/369641772.db2.gz VXUVDVFLLALYPB-DLBZAZTESA-N 2 2 258.409 3.102 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859651 369841402 /nfs/dbraw/zinc/84/14/02/369841402.db2.gz SQHXWCHPTLHUFG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859651 369841406 /nfs/dbraw/zinc/84/14/06/369841406.db2.gz SQHXWCHPTLHUFG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859651 369841408 /nfs/dbraw/zinc/84/14/08/369841408.db2.gz SQHXWCHPTLHUFG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000072859651 369841413 /nfs/dbraw/zinc/84/14/13/369841413.db2.gz SQHXWCHPTLHUFG-HNNXBMFYSA-N 2 2 299.418 3.115 20 0 CGADLP C[C@@H]([NH2+]Cc1cscn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000070166681 369785080 /nfs/dbraw/zinc/78/50/80/369785080.db2.gz GJYNYIVEDOHWMK-GFCCVEGCSA-N 2 2 284.388 3.180 20 0 CGADLP CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086957564 370023414 /nfs/dbraw/zinc/02/34/14/370023414.db2.gz FAILSCAZFIRRQB-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000090720789 370064749 /nfs/dbraw/zinc/06/47/49/370064749.db2.gz ZQZARHKLAQECIQ-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CC[N@H+]1C ZINC000090720789 370064754 /nfs/dbraw/zinc/06/47/54/370064754.db2.gz ZQZARHKLAQECIQ-NWDGAFQWSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1nccs1 ZINC000093396723 370122010 /nfs/dbraw/zinc/12/20/10/370122010.db2.gz KLCSPXPNZFOPPF-CYBMUJFWSA-N 2 2 298.415 3.239 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093645120 370154357 /nfs/dbraw/zinc/15/43/57/370154357.db2.gz MHZREMRFSSAQER-UONOGXRCSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000093645120 370154364 /nfs/dbraw/zinc/15/43/64/370154364.db2.gz MHZREMRFSSAQER-UONOGXRCSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000093645120 370154368 /nfs/dbraw/zinc/15/43/68/370154368.db2.gz MHZREMRFSSAQER-UONOGXRCSA-N 2 2 295.496 3.256 20 0 CGADLP CC(C)Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000093645120 370154374 /nfs/dbraw/zinc/15/43/74/370154374.db2.gz MHZREMRFSSAQER-UONOGXRCSA-N 2 2 295.496 3.256 20 0 CGADLP CCc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)o1 ZINC000131262900 371094044 /nfs/dbraw/zinc/09/40/44/371094044.db2.gz XIKNQIRZNYWVGE-UHFFFAOYSA-N 2 2 283.375 3.441 20 0 CGADLP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000131729701 371127163 /nfs/dbraw/zinc/12/71/63/371127163.db2.gz YDTCCSRTOUOMQI-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000131729701 371127169 /nfs/dbraw/zinc/12/71/69/371127169.db2.gz YDTCCSRTOUOMQI-QGZVFWFLSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C2CCCC2)C1 ZINC000537859865 376205215 /nfs/dbraw/zinc/20/52/15/376205215.db2.gz TWMWYIIBRBCPJK-LZWOXQAQSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C2CCCC2)C1 ZINC000537859865 376205223 /nfs/dbraw/zinc/20/52/23/376205223.db2.gz TWMWYIIBRBCPJK-LZWOXQAQSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000537859865 376205225 /nfs/dbraw/zinc/20/52/25/376205225.db2.gz TWMWYIIBRBCPJK-LZWOXQAQSA-N 2 2 250.430 3.266 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000537859865 376205234 /nfs/dbraw/zinc/20/52/34/376205234.db2.gz TWMWYIIBRBCPJK-LZWOXQAQSA-N 2 2 250.430 3.266 20 0 CGADLP Cc1[nH+]cc(C[NH2+]Cc2ccoc2)n1-c1ccccc1 ZINC000135286157 371410519 /nfs/dbraw/zinc/41/05/19/371410519.db2.gz LIDYMWBTJOILPK-UHFFFAOYSA-N 2 2 267.332 3.064 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522733 371513198 /nfs/dbraw/zinc/51/31/98/371513198.db2.gz NHQHAKONYYVRLS-ITRZJLQHSA-N 2 2 292.373 3.050 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286522733 371513201 /nfs/dbraw/zinc/51/32/01/371513201.db2.gz NHQHAKONYYVRLS-ITRZJLQHSA-N 2 2 292.373 3.050 20 0 CGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151141570 371575803 /nfs/dbraw/zinc/57/58/03/371575803.db2.gz IXAOFVTVAVYVCT-LSDHHAIUSA-N 2 2 287.407 3.064 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000152823216 371727186 /nfs/dbraw/zinc/72/71/86/371727186.db2.gz QBLFLCNAVNSFBM-GJZGRUSLSA-N 2 2 278.440 3.119 20 0 CGADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422698268 371757815 /nfs/dbraw/zinc/75/78/15/371757815.db2.gz YKZLQQNKUYGASN-PBHICJAKSA-N 2 2 288.435 3.238 20 0 CGADLP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422718667 371765707 /nfs/dbraw/zinc/76/57/07/371765707.db2.gz XGHCUEQXTPXOAF-FPMFFAJLSA-N 2 2 286.341 3.410 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(F)F ZINC000289653368 371784191 /nfs/dbraw/zinc/78/41/91/371784191.db2.gz DXLIYOUQFJDAHA-CYBMUJFWSA-N 2 2 291.345 3.349 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422775865 371798613 /nfs/dbraw/zinc/79/86/13/371798613.db2.gz BOIRQZKJQRZWBY-ZIAGYGMSSA-N 2 2 270.779 3.229 20 0 CGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC34CCC4)c2)c[nH+]1 ZINC000337372110 214037230 /nfs/dbraw/zinc/03/72/30/214037230.db2.gz AGRYYTFMOUNZKO-QGZVFWFLSA-N 2 2 281.403 3.354 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353339545 220036106 /nfs/dbraw/zinc/03/61/06/220036106.db2.gz TYMVQMRRLLOZLA-CHWSQXEVSA-N 2 2 288.391 3.014 20 0 CGADLP COc1c2ccccc2oc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353339545 220036109 /nfs/dbraw/zinc/03/61/09/220036109.db2.gz TYMVQMRRLLOZLA-CHWSQXEVSA-N 2 2 288.391 3.014 20 0 CGADLP CC[C@@H]([NH2+]Cc1cc(F)ccc1SC)[C@@H]1CCC[NH2+]1 ZINC000422811339 371824501 /nfs/dbraw/zinc/82/45/01/371824501.db2.gz UFYAJZHYQRWXFU-KGLIPLIRSA-N 2 2 282.428 3.168 20 0 CGADLP C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(F)c1)C1C[NH2+]C1 ZINC000422873003 371849104 /nfs/dbraw/zinc/84/91/04/371849104.db2.gz JLSOQZOOCRLMDJ-UGSOOPFHSA-N 2 2 284.378 3.113 20 0 CGADLP CC(C)COc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422893518 371857542 /nfs/dbraw/zinc/85/75/42/371857542.db2.gz ACUSUBKUZJZANW-AWEZNQCLSA-N 2 2 299.418 3.380 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154581784 371859509 /nfs/dbraw/zinc/85/95/09/371859509.db2.gz PUXDMRLWXQZRPG-SJORKVTESA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154581784 371859514 /nfs/dbraw/zinc/85/95/14/371859514.db2.gz PUXDMRLWXQZRPG-SJORKVTESA-N 2 2 278.415 3.077 20 0 CGADLP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000422943157 371882589 /nfs/dbraw/zinc/88/25/89/371882589.db2.gz QJEXJEAITPZVFF-IRXDYDNUSA-N 2 2 258.409 3.260 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000422944280 371883023 /nfs/dbraw/zinc/88/30/23/371883023.db2.gz LGJZKQQDPKOMQB-LSDHHAIUSA-N 2 2 298.377 3.298 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000155678212 371938053 /nfs/dbraw/zinc/93/80/53/371938053.db2.gz FMPCSKDXQSCHPH-OAHLLOKOSA-N 2 2 292.386 3.296 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000423058936 371939881 /nfs/dbraw/zinc/93/98/81/371939881.db2.gz KTFANBHDQWOQHU-JZXOWHBKSA-N 3 2 291.483 3.093 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155727540 371940674 /nfs/dbraw/zinc/94/06/74/371940674.db2.gz YJYLVSDLVQFUTQ-MRXNPFEDSA-N 2 2 285.391 3.003 20 0 CGADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000422988940 371904442 /nfs/dbraw/zinc/90/44/42/371904442.db2.gz JXSRLCAZFDFRAC-DCGLDWPTSA-N 2 2 288.391 3.093 20 0 CGADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422993828 371905270 /nfs/dbraw/zinc/90/52/70/371905270.db2.gz GKSRKNRWAPRNFT-UONOGXRCSA-N 2 2 286.341 3.354 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423008210 371912975 /nfs/dbraw/zinc/91/29/75/371912975.db2.gz SSWLMFKFRHNVQC-XDKFSHSGSA-N 2 2 288.435 3.152 20 0 CGADLP Cc1cnc([C@H](C)C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000290373737 371975103 /nfs/dbraw/zinc/97/51/03/371975103.db2.gz NNPRLASQLBJMJA-CYBMUJFWSA-N 2 2 289.448 3.481 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423129179 371980908 /nfs/dbraw/zinc/98/09/08/371980908.db2.gz DYYLOMVLMPMZSQ-DOMZBBRYSA-N 2 2 274.433 3.031 20 0 CGADLP C[C@H](Cc1ccncc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344135330 217066889 /nfs/dbraw/zinc/06/68/89/217066889.db2.gz GBVDQGOEGVCSER-CYBMUJFWSA-N 2 2 298.415 3.050 20 0 CGADLP CCSCC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290434617 371987759 /nfs/dbraw/zinc/98/77/59/371987759.db2.gz RXNJHYNQNKRAMK-AWEZNQCLSA-N 2 2 266.454 3.444 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO[C@@H]1C(C)C ZINC000290427094 371987830 /nfs/dbraw/zinc/98/78/30/371987830.db2.gz RJJRMRZGIDXQHV-QZTJIDSGSA-N 2 2 290.451 3.363 20 0 CGADLP C[C@H]([NH2+]Cc1cc(C2CC2)ccc1F)[C@H]1CCCC[NH2+]1 ZINC000423143901 371988303 /nfs/dbraw/zinc/98/83/03/371988303.db2.gz FKQVVBFAXZYRGC-YVEFUNNKSA-N 2 2 276.399 3.323 20 0 CGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423076186 371949439 /nfs/dbraw/zinc/94/94/39/371949439.db2.gz YKBLQUQXVVBVEY-DOTOQJQBSA-N 2 2 294.483 3.236 20 0 CGADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000155934133 371952110 /nfs/dbraw/zinc/95/21/10/371952110.db2.gz YWEBBBYVJDCNJF-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP COc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000423196857 372020765 /nfs/dbraw/zinc/02/07/65/372020765.db2.gz WQKWVQLOSURYOP-HKUYNNGSSA-N 2 2 296.414 3.126 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000423197247 372022037 /nfs/dbraw/zinc/02/20/37/372022037.db2.gz YPPXCCJPOASJDN-KBPBESRZSA-N 2 2 297.240 3.242 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423210212 372032528 /nfs/dbraw/zinc/03/25/28/372032528.db2.gz WJLDKCKRQFYZFM-JQWIXIFHSA-N 2 2 286.391 3.056 20 0 CGADLP CC1(C)CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423240411 372042215 /nfs/dbraw/zinc/04/22/15/372042215.db2.gz TXFYKVPEFJBVKJ-BBRMVZONSA-N 2 2 258.409 3.141 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423304630 372049616 /nfs/dbraw/zinc/04/96/16/372049616.db2.gz ZHEVFKJBOKJRPT-WFASDCNBSA-N 2 2 294.464 3.339 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(F)c1F ZINC000423176866 372006815 /nfs/dbraw/zinc/00/68/15/372006815.db2.gz IEDZRMMWQVXISL-LLVKDONJSA-N 2 2 268.351 3.277 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)o1 ZINC000423182481 372010888 /nfs/dbraw/zinc/01/08/88/372010888.db2.gz DYMUWFFEBQFMJM-CQSZACIVSA-N 2 2 287.407 3.068 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000423434446 372063952 /nfs/dbraw/zinc/06/39/52/372063952.db2.gz RYZARWUUPSNWIG-SCLBCKFNSA-N 2 2 284.378 3.363 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423451090 372065134 /nfs/dbraw/zinc/06/51/34/372065134.db2.gz UTCQGPKHSMGRFP-GUBZILKMSA-N 2 2 269.458 3.135 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423573135 372074295 /nfs/dbraw/zinc/07/42/95/372074295.db2.gz YXAJQTRUSOSOHQ-KEYYUXOJSA-N 2 2 258.409 3.357 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672034 541868141 /nfs/dbraw/zinc/86/81/41/541868141.db2.gz AVVCYSUSGOPNKR-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000040672034 541868145 /nfs/dbraw/zinc/86/81/45/541868145.db2.gz AVVCYSUSGOPNKR-LSDHHAIUSA-N 2 2 266.816 3.475 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1C ZINC000040672515 541869703 /nfs/dbraw/zinc/86/97/03/541869703.db2.gz NEUYPDSVMMWBIH-CVEARBPZSA-N 2 2 260.425 3.357 20 0 CGADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1C ZINC000040672515 541869707 /nfs/dbraw/zinc/86/97/07/541869707.db2.gz NEUYPDSVMMWBIH-CVEARBPZSA-N 2 2 260.425 3.357 20 0 CGADLP C[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000292323001 372189046 /nfs/dbraw/zinc/18/90/46/372189046.db2.gz OUZQZXWFOPYUHH-GFCCVEGCSA-N 2 2 279.815 3.046 20 0 CGADLP C[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000292323001 372189052 /nfs/dbraw/zinc/18/90/52/372189052.db2.gz OUZQZXWFOPYUHH-GFCCVEGCSA-N 2 2 279.815 3.046 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCc4c3cccc4O)c[nH+]c12 ZINC000344267919 217126557 /nfs/dbraw/zinc/12/65/57/217126557.db2.gz YIQKLORFIRBFJB-MRXNPFEDSA-N 2 2 293.370 3.125 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672966 541870432 /nfs/dbraw/zinc/87/04/32/541870432.db2.gz CZLYRYRGWQAXMM-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672966 541870438 /nfs/dbraw/zinc/87/04/38/541870438.db2.gz CZLYRYRGWQAXMM-NVXWUHKLSA-N 2 2 274.452 3.427 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160908469 372287412 /nfs/dbraw/zinc/28/74/12/372287412.db2.gz NBCNFHMZITXISZ-UHFFFAOYSA-N 2 2 270.779 3.053 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@@H+]1C ZINC000344355435 217166362 /nfs/dbraw/zinc/16/63/62/217166362.db2.gz LMSMAFRLPDTMGB-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCC[N@H+]1C ZINC000344355435 217166365 /nfs/dbraw/zinc/16/63/65/217166365.db2.gz LMSMAFRLPDTMGB-KBXCAEBGSA-N 2 2 268.404 3.412 20 0 CGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000293562494 372411335 /nfs/dbraw/zinc/41/13/35/372411335.db2.gz MGGFVXMWTBEPNL-CHWSQXEVSA-N 2 2 282.815 3.008 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000293372372 372367322 /nfs/dbraw/zinc/36/73/22/372367322.db2.gz HXIQEOBEJGWLGH-DLBZAZTESA-N 2 2 288.410 3.420 20 0 CGADLP Fc1cc(C2CC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000293372372 372367327 /nfs/dbraw/zinc/36/73/27/372367327.db2.gz HXIQEOBEJGWLGH-DLBZAZTESA-N 2 2 288.410 3.420 20 0 CGADLP CS[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000344370774 217172545 /nfs/dbraw/zinc/17/25/45/217172545.db2.gz YJUSYWBOPNAWBF-CYBMUJFWSA-N 2 2 277.437 3.202 20 0 CGADLP Clc1scc(C[NH2+]CCCn2cc[nH+]c2)c1Cl ZINC000432233639 372550272 /nfs/dbraw/zinc/55/02/72/372550272.db2.gz AREWCLICQSNYDD-UHFFFAOYSA-N 2 2 290.219 3.431 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CF)n1-c1ccccc1 ZINC000294095530 372579474 /nfs/dbraw/zinc/57/94/74/372579474.db2.gz RTXYJVPIZUZLDB-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CF)n1-c1ccccc1 ZINC000294095530 372579479 /nfs/dbraw/zinc/57/94/79/372579479.db2.gz RTXYJVPIZUZLDB-OAHLLOKOSA-N 2 2 273.355 3.115 20 0 CGADLP c1ccc(CCC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000170695201 372650876 /nfs/dbraw/zinc/65/08/76/372650876.db2.gz YPRPDMTZGVJHBZ-GOSISDBHSA-N 2 2 272.436 3.179 20 0 CGADLP c1ccc(CCC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000170695201 372650879 /nfs/dbraw/zinc/65/08/79/372650879.db2.gz YPRPDMTZGVJHBZ-GOSISDBHSA-N 2 2 272.436 3.179 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000295222808 372707065 /nfs/dbraw/zinc/70/70/65/372707065.db2.gz BWXBSGXEIYMEOP-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000295222808 372707068 /nfs/dbraw/zinc/70/70/68/372707068.db2.gz BWXBSGXEIYMEOP-ZDUSSCGKSA-N 2 2 296.842 3.209 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000434776881 372710132 /nfs/dbraw/zinc/71/01/32/372710132.db2.gz OJQVRIDNXKYCDI-FMKPAKJESA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000434776881 372710140 /nfs/dbraw/zinc/71/01/40/372710140.db2.gz OJQVRIDNXKYCDI-FMKPAKJESA-N 2 2 264.457 3.418 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427605630 284339536 /nfs/dbraw/zinc/33/95/36/284339536.db2.gz BNAJESNGNFAPTJ-QGZVFWFLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000427605630 284339538 /nfs/dbraw/zinc/33/95/38/284339538.db2.gz BNAJESNGNFAPTJ-QGZVFWFLSA-N 2 2 260.425 3.378 20 0 CGADLP CC[N@H+](Cc1ncc(C(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435379110 372753992 /nfs/dbraw/zinc/75/39/92/372753992.db2.gz HRQARPOVOLKUIM-CYBMUJFWSA-N 2 2 281.469 3.231 20 0 CGADLP CC[N@@H+](Cc1ncc(C(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435379110 372753996 /nfs/dbraw/zinc/75/39/96/372753996.db2.gz HRQARPOVOLKUIM-CYBMUJFWSA-N 2 2 281.469 3.231 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295445044 372783627 /nfs/dbraw/zinc/78/36/27/372783627.db2.gz PSDMJNAKGUWTOX-QFBILLFUSA-N 2 2 295.430 3.000 20 0 CGADLP Cc1cnccc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295445044 372783631 /nfs/dbraw/zinc/78/36/31/372783631.db2.gz PSDMJNAKGUWTOX-QFBILLFUSA-N 2 2 295.430 3.000 20 0 CGADLP CC(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344612748 217248451 /nfs/dbraw/zinc/24/84/51/217248451.db2.gz XFLKHIVFTDFPKB-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344612748 217248454 /nfs/dbraw/zinc/24/84/54/217248454.db2.gz XFLKHIVFTDFPKB-OAGGEKHMSA-N 2 2 252.446 3.370 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435166 284354330 /nfs/dbraw/zinc/35/43/30/284354330.db2.gz CSFWURSREOGHHG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435166 284354331 /nfs/dbraw/zinc/35/43/31/284354331.db2.gz CSFWURSREOGHHG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435166 284354332 /nfs/dbraw/zinc/35/43/32/284354332.db2.gz CSFWURSREOGHHG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC000245435166 284354334 /nfs/dbraw/zinc/35/43/34/284354334.db2.gz CSFWURSREOGHHG-CHWSQXEVSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000344806899 217317561 /nfs/dbraw/zinc/31/75/61/217317561.db2.gz FUTPXTAWCOEEMB-HUUCEWRRSA-N 2 2 295.496 3.442 20 0 CGADLP CC(C)SCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544106 220149346 /nfs/dbraw/zinc/14/93/46/220149346.db2.gz AMTGBNUDNQYDNU-UHFFFAOYSA-N 2 2 284.469 3.175 20 0 CGADLP CC(C)SCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544106 220149349 /nfs/dbraw/zinc/14/93/49/220149349.db2.gz AMTGBNUDNQYDNU-UHFFFAOYSA-N 2 2 284.469 3.175 20 0 CGADLP CC(C)SCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544106 220149352 /nfs/dbraw/zinc/14/93/52/220149352.db2.gz AMTGBNUDNQYDNU-UHFFFAOYSA-N 2 2 284.469 3.175 20 0 CGADLP CC(C)SCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544106 220149355 /nfs/dbraw/zinc/14/93/55/220149355.db2.gz AMTGBNUDNQYDNU-UHFFFAOYSA-N 2 2 284.469 3.175 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000296272715 373075660 /nfs/dbraw/zinc/07/56/60/373075660.db2.gz DVTAOWWWLQYTQL-OAHLLOKOSA-N 2 2 289.467 3.460 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000173367321 373131168 /nfs/dbraw/zinc/13/11/68/373131168.db2.gz CKUPYMZAUZHNMM-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000173367321 373131178 /nfs/dbraw/zinc/13/11/78/373131178.db2.gz CKUPYMZAUZHNMM-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP Cc1[nH+]ccn1CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000299046471 373451476 /nfs/dbraw/zinc/45/14/76/373451476.db2.gz OSVNJILLGNPQAP-UHFFFAOYSA-N 2 2 285.347 3.080 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@@H+]1C ZINC000447940685 373527603 /nfs/dbraw/zinc/52/76/03/373527603.db2.gz ORDQANGTOTYGCW-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CC[N@H+]1C ZINC000447940685 373527616 /nfs/dbraw/zinc/52/76/16/373527616.db2.gz ORDQANGTOTYGCW-VXGBXAGGSA-N 2 2 281.469 3.013 20 0 CGADLP c1cn(-c2cccc(C[NH2+]C3CC4(CCC4)C3)c2)c[nH+]1 ZINC000448054817 373542752 /nfs/dbraw/zinc/54/27/52/373542752.db2.gz CPYFQMHQDPLRMC-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000300309026 373623167 /nfs/dbraw/zinc/62/31/67/373623167.db2.gz MLWHMXYXRFMFAZ-OWCLPIDISA-N 2 2 263.429 3.466 20 0 CGADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000301074989 373650726 /nfs/dbraw/zinc/65/07/26/373650726.db2.gz OTBHUHJDJYBGRI-UHFFFAOYSA-N 2 2 286.766 3.258 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177122796 373656181 /nfs/dbraw/zinc/65/61/81/373656181.db2.gz GTEVTGLACPABLX-HNNXBMFYSA-N 2 2 273.380 3.439 20 0 CGADLP Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177122796 373656190 /nfs/dbraw/zinc/65/61/90/373656190.db2.gz GTEVTGLACPABLX-HNNXBMFYSA-N 2 2 273.380 3.439 20 0 CGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177179561 373660822 /nfs/dbraw/zinc/66/08/22/373660822.db2.gz PMTFMCIYZGXKFC-CXAGYDPISA-N 2 2 260.425 3.240 20 0 CGADLP Clc1c[nH+]ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301502158 373781555 /nfs/dbraw/zinc/78/15/55/373781555.db2.gz BFTGPJKCJPBXNM-UHFFFAOYSA-N 2 2 288.782 3.211 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccoc1 ZINC000178504611 373787105 /nfs/dbraw/zinc/78/71/05/373787105.db2.gz DSZNIUVMPGFSOY-GFCCVEGCSA-N 2 2 285.322 3.455 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000179449376 373873674 /nfs/dbraw/zinc/87/36/74/373873674.db2.gz FIFQGSFCUMYDBU-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP Clc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000179449376 373873683 /nfs/dbraw/zinc/87/36/83/373873683.db2.gz FIFQGSFCUMYDBU-HNNXBMFYSA-N 2 2 275.783 3.374 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180052363 373958569 /nfs/dbraw/zinc/95/85/69/373958569.db2.gz WDURNTCWDJCFKQ-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180052363 373958578 /nfs/dbraw/zinc/95/85/78/373958578.db2.gz WDURNTCWDJCFKQ-HZPDHXFCSA-N 2 2 278.827 3.475 20 0 CGADLP CC(C)c1nc(NCCC[NH+](C)C)cc(C(C)(C)C)[nH+]1 ZINC000302772480 373958749 /nfs/dbraw/zinc/95/87/49/373958749.db2.gz CTRIMFRVDADPQE-UHFFFAOYSA-N 2 2 278.444 3.261 20 0 CGADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1F ZINC000179834176 373925684 /nfs/dbraw/zinc/92/56/84/373925684.db2.gz DOINWTMKPMTLCN-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP CC(C)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000179902769 373936372 /nfs/dbraw/zinc/93/63/72/373936372.db2.gz FWHVEWWCKQOQOS-UHFFFAOYSA-N 2 2 283.419 3.498 20 0 CGADLP Cc1cccc(Cl)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000450252652 374023487 /nfs/dbraw/zinc/02/34/87/374023487.db2.gz JJLDYGSFPKGQHL-UHFFFAOYSA-N 2 2 266.816 3.174 20 0 CGADLP COCCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657517 374033238 /nfs/dbraw/zinc/03/32/38/374033238.db2.gz LQMMRUYPCVNDPV-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP c1cn(C2CC[NH+](Cc3ccccc3OC3CC3)CC2)c[nH+]1 ZINC000289489759 197371945 /nfs/dbraw/zinc/37/19/45/197371945.db2.gz CJVNEVBHDQGEPZ-UHFFFAOYSA-N 2 2 297.402 3.261 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000182175784 374229948 /nfs/dbraw/zinc/22/99/48/374229948.db2.gz GBOAOKVDGSIANI-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000182175784 374229956 /nfs/dbraw/zinc/22/99/56/374229956.db2.gz GBOAOKVDGSIANI-CABCVRRESA-N 2 2 260.425 3.285 20 0 CGADLP Cc1sccc1C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000312061954 374267696 /nfs/dbraw/zinc/26/76/96/374267696.db2.gz ITWFABKOPFOBKW-INIZCTEOSA-N 2 2 274.433 3.449 20 0 CGADLP c1coc(C[NH+](CCCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000182614170 374297904 /nfs/dbraw/zinc/29/79/04/374297904.db2.gz TVDAENBCCYYFJS-UHFFFAOYSA-N 2 2 285.347 3.162 20 0 CGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000453061565 374363084 /nfs/dbraw/zinc/36/30/84/374363084.db2.gz DAMYDFJNAWDDCK-HLLBOEOZSA-N 2 2 292.471 3.064 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2sccc21 ZINC000453066185 374363238 /nfs/dbraw/zinc/36/32/38/374363238.db2.gz IEQQAVIJVSHYDX-YRGRVCCFSA-N 2 2 264.438 3.370 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2sccc21 ZINC000453066185 374363246 /nfs/dbraw/zinc/36/32/46/374363246.db2.gz IEQQAVIJVSHYDX-YRGRVCCFSA-N 2 2 264.438 3.370 20 0 CGADLP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)n2cc[nH+]c21)CC(C)C ZINC000453098985 374364251 /nfs/dbraw/zinc/36/42/51/374364251.db2.gz XKBKILRAGUMXLJ-HRCADAONSA-N 2 2 292.471 3.235 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CCCC1 ZINC000320361594 374351476 /nfs/dbraw/zinc/35/14/76/374351476.db2.gz XYXGJLZIORCNFP-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000320361594 374351483 /nfs/dbraw/zinc/35/14/83/374351483.db2.gz XYXGJLZIORCNFP-MRXNPFEDSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000321036047 374353451 /nfs/dbraw/zinc/35/34/51/374353451.db2.gz YLWTXFBFMVJCRB-KDOFPFPSSA-N 2 2 284.403 3.198 20 0 CGADLP Cc1occc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000321036047 374353455 /nfs/dbraw/zinc/35/34/55/374353455.db2.gz YLWTXFBFMVJCRB-KDOFPFPSSA-N 2 2 284.403 3.198 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1nccs1 ZINC000183198311 374384607 /nfs/dbraw/zinc/38/46/07/374384607.db2.gz GQUYPHNQXLAAMH-MELADBBJSA-N 2 2 293.480 3.447 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nccs1 ZINC000183198311 374384611 /nfs/dbraw/zinc/38/46/11/374384611.db2.gz GQUYPHNQXLAAMH-MELADBBJSA-N 2 2 293.480 3.447 20 0 CGADLP Fc1ccc(F)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000334188197 206163978 /nfs/dbraw/zinc/16/39/78/206163978.db2.gz HFBPDOYIYGTWMY-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000334188197 206163980 /nfs/dbraw/zinc/16/39/80/206163980.db2.gz HFBPDOYIYGTWMY-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Cc1cc[nH+]c(N2CCC(c3ccc(C)[nH+]c3)CC2)c1 ZINC000334414955 374731321 /nfs/dbraw/zinc/73/13/21/374731321.db2.gz NKECMWVBIAIUMF-UHFFFAOYSA-N 2 2 267.376 3.477 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000186541435 374871430 /nfs/dbraw/zinc/87/14/30/374871430.db2.gz JQGSYBPJULSRKM-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP CCOC(C)(C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000186541435 374871434 /nfs/dbraw/zinc/87/14/34/374871434.db2.gz JQGSYBPJULSRKM-RDJZCZTQSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359519 296224827 /nfs/dbraw/zinc/22/48/27/296224827.db2.gz FTOXQRVKIIXUHU-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359519 296224829 /nfs/dbraw/zinc/22/48/29/296224829.db2.gz FTOXQRVKIIXUHU-BLLLJJGKSA-N 2 2 280.362 3.101 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+](C)C ZINC000474047658 375074564 /nfs/dbraw/zinc/07/45/64/375074564.db2.gz QKLWSWKPGVGFLT-CABCVRRESA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000480243953 375158406 /nfs/dbraw/zinc/15/84/06/375158406.db2.gz GCEUMIQKTGJSFF-YJBOKZPZSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000480243953 375158412 /nfs/dbraw/zinc/15/84/12/375158412.db2.gz GCEUMIQKTGJSFF-YJBOKZPZSA-N 2 2 274.452 3.457 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000188450145 375216830 /nfs/dbraw/zinc/21/68/30/375216830.db2.gz QQHHGLRNIAMZLH-RDJZCZTQSA-N 2 2 258.409 3.205 20 0 CGADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000188450145 375216833 /nfs/dbraw/zinc/21/68/33/375216833.db2.gz QQHHGLRNIAMZLH-RDJZCZTQSA-N 2 2 258.409 3.205 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H]1c1ccccc1 ZINC000487571387 375257311 /nfs/dbraw/zinc/25/73/11/375257311.db2.gz MEQJAPNLOHOJSK-WLMAVBAVSA-N 2 2 293.414 3.130 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H]1c1ccccc1 ZINC000487571387 375257315 /nfs/dbraw/zinc/25/73/15/375257315.db2.gz MEQJAPNLOHOJSK-WLMAVBAVSA-N 2 2 293.414 3.130 20 0 CGADLP COc1ccc(F)cc1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000189208302 375342013 /nfs/dbraw/zinc/34/20/13/375342013.db2.gz MDUMTBYQDIUQIN-UHFFFAOYSA-N 2 2 299.349 3.080 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190688195 375531124 /nfs/dbraw/zinc/53/11/24/375531124.db2.gz YJEWNXJDDFTKQE-QGZVFWFLSA-N 2 2 288.435 3.049 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190688195 375531130 /nfs/dbraw/zinc/53/11/30/375531130.db2.gz YJEWNXJDDFTKQE-QGZVFWFLSA-N 2 2 288.435 3.049 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910562 375534114 /nfs/dbraw/zinc/53/41/14/375534114.db2.gz HZMKHCCHRPCXDJ-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000335910562 375534120 /nfs/dbraw/zinc/53/41/20/375534120.db2.gz HZMKHCCHRPCXDJ-LBPRGKRZSA-N 2 2 293.773 3.202 20 0 CGADLP CC[C@H](C[NH2+][C@H](C)[C@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889222 375483800 /nfs/dbraw/zinc/48/38/00/375483800.db2.gz SQMDXCQHBYNCSP-NXHRZFHOSA-N 2 2 290.451 3.227 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000335998041 375604794 /nfs/dbraw/zinc/60/47/94/375604794.db2.gz HCZMQJFNAYLFNO-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000335998041 375604796 /nfs/dbraw/zinc/60/47/96/375604796.db2.gz HCZMQJFNAYLFNO-LLVKDONJSA-N 2 2 293.773 3.202 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000336063888 375656132 /nfs/dbraw/zinc/65/61/32/375656132.db2.gz KLOAHVNTCQRYLQ-NSHDSACASA-N 2 2 276.355 3.317 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000192056082 375694717 /nfs/dbraw/zinc/69/47/17/375694717.db2.gz HZMLGHIKJZEKGR-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000192056082 375694720 /nfs/dbraw/zinc/69/47/20/375694720.db2.gz HZMLGHIKJZEKGR-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000192056082 375694725 /nfs/dbraw/zinc/69/47/25/375694725.db2.gz HZMLGHIKJZEKGR-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000192056082 375694727 /nfs/dbraw/zinc/69/47/27/375694727.db2.gz HZMLGHIKJZEKGR-OCCSQVGLSA-N 2 2 296.842 3.263 20 0 CGADLP Cc1ccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000336101502 375686719 /nfs/dbraw/zinc/68/67/19/375686719.db2.gz VASBPAUSPUIQSQ-CGZBRXJRSA-N 2 2 281.403 3.042 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[NH+]1CCCCCC1 ZINC000507457223 375704371 /nfs/dbraw/zinc/70/43/71/375704371.db2.gz AVHIXVKSEUVMPQ-SQNIBIBYSA-N 2 2 296.499 3.292 20 0 CGADLP Clc1ccc2c(c1)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C2 ZINC000126633568 542041095 /nfs/dbraw/zinc/04/10/95/542041095.db2.gz XXRZYQUVNPZNAI-INIZCTEOSA-N 2 2 289.810 3.074 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541257 375843516 /nfs/dbraw/zinc/84/35/16/375843516.db2.gz NONGOJZFGBOQQA-RDJZCZTQSA-N 2 2 276.424 3.068 20 0 CGADLP CO[C@@]1(C)C[C@H]([N@@H+](C)CCc2cc[nH+]cc2C)C1(C)C ZINC000519541257 375843520 /nfs/dbraw/zinc/84/35/20/375843520.db2.gz NONGOJZFGBOQQA-RDJZCZTQSA-N 2 2 276.424 3.068 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339085 296237640 /nfs/dbraw/zinc/23/76/40/296237640.db2.gz DOSIVEWJMVTWJR-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094339085 296237642 /nfs/dbraw/zinc/23/76/42/296237642.db2.gz DOSIVEWJMVTWJR-SUNKGSAMSA-N 2 2 297.240 3.179 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(C)(C)C)cc1 ZINC000535033219 376013186 /nfs/dbraw/zinc/01/31/86/376013186.db2.gz UZWWWNIDGBEBIR-UHFFFAOYSA-N 2 2 271.408 3.313 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000535050731 376017568 /nfs/dbraw/zinc/01/75/68/376017568.db2.gz NBGLKVJRLMFBBJ-ZFWWWQNUSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000535050731 376017574 /nfs/dbraw/zinc/01/75/74/376017574.db2.gz NBGLKVJRLMFBBJ-ZFWWWQNUSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000535050731 376017581 /nfs/dbraw/zinc/01/75/81/376017581.db2.gz NBGLKVJRLMFBBJ-ZFWWWQNUSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@H]1c2c(F)cccc2CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000535050731 376017589 /nfs/dbraw/zinc/01/75/89/376017589.db2.gz NBGLKVJRLMFBBJ-ZFWWWQNUSA-N 2 2 276.399 3.229 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624847 376101976 /nfs/dbraw/zinc/10/19/76/376101976.db2.gz RLLRUTNQPMCKRW-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cscn1 ZINC000536624847 376101982 /nfs/dbraw/zinc/10/19/82/376101982.db2.gz RLLRUTNQPMCKRW-HZSPNIEDSA-N 2 2 281.469 3.162 20 0 CGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1F ZINC000337194304 376127139 /nfs/dbraw/zinc/12/71/39/376127139.db2.gz AHFLLLSSHSLCRQ-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1F ZINC000337194304 376127140 /nfs/dbraw/zinc/12/71/40/376127140.db2.gz AHFLLLSSHSLCRQ-UHFFFAOYSA-N 2 2 284.806 3.397 20 0 CGADLP CC(C)[N@H+](C)CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000536996343 376144095 /nfs/dbraw/zinc/14/40/95/376144095.db2.gz WJMFBXOPUSDZKH-UHFFFAOYSA-N 2 2 286.423 3.120 20 0 CGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000536996343 376144100 /nfs/dbraw/zinc/14/41/00/376144100.db2.gz WJMFBXOPUSDZKH-UHFFFAOYSA-N 2 2 286.423 3.120 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000538060349 376219117 /nfs/dbraw/zinc/21/91/17/376219117.db2.gz KOYWGDXVEVHFLY-SJLPKXTDSA-N 2 2 290.451 3.466 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000538060349 376219123 /nfs/dbraw/zinc/21/91/23/376219123.db2.gz KOYWGDXVEVHFLY-SJLPKXTDSA-N 2 2 290.451 3.466 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C2CC2)ccc1F ZINC000538101399 376220696 /nfs/dbraw/zinc/22/06/96/376220696.db2.gz XZVQDOCJSKDFRV-WBVHZDCISA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C2CC2)ccc1F ZINC000538101399 376220700 /nfs/dbraw/zinc/22/07/00/376220700.db2.gz XZVQDOCJSKDFRV-WBVHZDCISA-N 2 2 276.399 3.269 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000221908051 376223851 /nfs/dbraw/zinc/22/38/51/376223851.db2.gz PWIQQVYRPIBZKV-ZDUSSCGKSA-N 2 2 252.377 3.207 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000221908051 376223855 /nfs/dbraw/zinc/22/38/55/376223855.db2.gz PWIQQVYRPIBZKV-ZDUSSCGKSA-N 2 2 252.377 3.207 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@H](C)C1 ZINC000538955085 376281360 /nfs/dbraw/zinc/28/13/60/376281360.db2.gz YMLKDWYXGMXDHK-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@H](C)C1 ZINC000538955085 376281363 /nfs/dbraw/zinc/28/13/63/376281363.db2.gz YMLKDWYXGMXDHK-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@H](C)C1 ZINC000538955085 376281367 /nfs/dbraw/zinc/28/13/67/376281367.db2.gz YMLKDWYXGMXDHK-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@H](C)C1 ZINC000538955085 376281372 /nfs/dbraw/zinc/28/13/72/376281372.db2.gz YMLKDWYXGMXDHK-NXOAAHMSSA-N 2 2 264.457 3.371 20 0 CGADLP c1ccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000224292883 376273705 /nfs/dbraw/zinc/27/37/05/376273705.db2.gz CGTUHIVFFJXNSV-NVXWUHKLSA-N 2 2 290.476 3.166 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000338280613 376310286 /nfs/dbraw/zinc/31/02/86/376310286.db2.gz LVPOURJLYFAEOC-CYBMUJFWSA-N 2 2 282.403 3.217 20 0 CGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc(C)ccc1F ZINC000338361406 376351701 /nfs/dbraw/zinc/35/17/01/376351701.db2.gz BUXZAZNCRJVPNX-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000338361406 376351708 /nfs/dbraw/zinc/35/17/08/376351708.db2.gz BUXZAZNCRJVPNX-UHFFFAOYSA-N 2 2 266.404 3.298 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000338296814 376322466 /nfs/dbraw/zinc/32/24/66/376322466.db2.gz OZLBBMHDHAAMGT-UHFFFAOYSA-N 2 2 281.469 3.152 20 0 CGADLP Cc1cc(NCCCCn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000539806340 376331944 /nfs/dbraw/zinc/33/19/44/376331944.db2.gz VTIIAGHJHKQGTO-UHFFFAOYSA-N 2 2 298.365 3.193 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000539039757 376285861 /nfs/dbraw/zinc/28/58/61/376285861.db2.gz OXNHBMCVFRCSFO-DZGCQCFKSA-N 2 2 257.381 3.045 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000539087499 376293048 /nfs/dbraw/zinc/29/30/48/376293048.db2.gz VAZYPRHAZCDSBG-APHBMKBZSA-N 2 2 280.843 3.201 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000539087499 376293053 /nfs/dbraw/zinc/29/30/53/376293053.db2.gz VAZYPRHAZCDSBG-APHBMKBZSA-N 2 2 280.843 3.201 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000225302055 376301896 /nfs/dbraw/zinc/30/18/96/376301896.db2.gz LPSZXNCYPZMYBV-NSHDSACASA-N 2 2 287.860 3.151 20 0 CGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000225302055 376301903 /nfs/dbraw/zinc/30/19/03/376301903.db2.gz LPSZXNCYPZMYBV-NSHDSACASA-N 2 2 287.860 3.151 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000540317324 376369064 /nfs/dbraw/zinc/36/90/64/376369064.db2.gz MILHHXJQDSWFGY-KSSFIOAISA-N 2 2 288.435 3.078 20 0 CGADLP COc1ccc([C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C2CC2)cc1 ZINC000540317324 376369074 /nfs/dbraw/zinc/36/90/74/376369074.db2.gz MILHHXJQDSWFGY-KSSFIOAISA-N 2 2 288.435 3.078 20 0 CGADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCO[C@@H]3C)ccc2n1C1CC1 ZINC000338449237 376379188 /nfs/dbraw/zinc/37/91/88/376379188.db2.gz WRTJVVNIZMJNKU-DOMZBBRYSA-N 2 2 299.418 3.201 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000228555548 376440692 /nfs/dbraw/zinc/44/06/92/376440692.db2.gz PNWOHZPJQZTQCT-UHFFFAOYSA-N 2 2 296.842 3.095 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000228555548 376440697 /nfs/dbraw/zinc/44/06/97/376440697.db2.gz PNWOHZPJQZTQCT-UHFFFAOYSA-N 2 2 296.842 3.095 20 0 CGADLP CCC[N@H+](CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230185981 376493668 /nfs/dbraw/zinc/49/36/68/376493668.db2.gz IFIBOGALBRYUIQ-UHFFFAOYSA-N 2 2 264.417 3.052 20 0 CGADLP CCC[N@@H+](CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000230185981 376493674 /nfs/dbraw/zinc/49/36/74/376493674.db2.gz IFIBOGALBRYUIQ-UHFFFAOYSA-N 2 2 264.417 3.052 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000232714421 376587131 /nfs/dbraw/zinc/58/71/31/376587131.db2.gz KDIZGGKFVXMGHF-RBSFLKMASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000232714421 376587138 /nfs/dbraw/zinc/58/71/38/376587138.db2.gz KDIZGGKFVXMGHF-RBSFLKMASA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000232746841 376587403 /nfs/dbraw/zinc/58/74/03/376587403.db2.gz HCUCMQQIKAXOAP-KRWDZBQOSA-N 2 2 260.425 3.112 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000235708208 376648968 /nfs/dbraw/zinc/64/89/68/376648968.db2.gz SDRFPCFEODQWPD-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000235708208 376648973 /nfs/dbraw/zinc/64/89/73/376648973.db2.gz SDRFPCFEODQWPD-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000339072836 376662339 /nfs/dbraw/zinc/66/23/39/376662339.db2.gz YCFNGNMLRZGVOC-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000339072836 376662343 /nfs/dbraw/zinc/66/23/43/376662343.db2.gz YCFNGNMLRZGVOC-WMZOPIPTSA-N 2 2 272.436 3.446 20 0 CGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000135754675 542089735 /nfs/dbraw/zinc/08/97/35/542089735.db2.gz HVCDHFCYDVBNDF-JKSUJKDBSA-N 2 2 288.435 3.017 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151845517 542103701 /nfs/dbraw/zinc/10/37/01/542103701.db2.gz WNCCRDPHQOAQPB-KGLIPLIRSA-N 2 2 266.454 3.143 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000152019575 542105662 /nfs/dbraw/zinc/10/56/62/542105662.db2.gz ANHJXTQYLHDHBG-VYDXJSESSA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000152019575 542105666 /nfs/dbraw/zinc/10/56/66/542105666.db2.gz ANHJXTQYLHDHBG-VYDXJSESSA-N 2 2 272.436 3.313 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000157654592 542136251 /nfs/dbraw/zinc/13/62/51/542136251.db2.gz WCKOEWZVPCTLRE-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000157654592 542136258 /nfs/dbraw/zinc/13/62/58/542136258.db2.gz WCKOEWZVPCTLRE-SJORKVTESA-N 2 2 258.409 3.212 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)CCc3ccco3)[nH+]c12 ZINC000156313367 542128086 /nfs/dbraw/zinc/12/80/86/542128086.db2.gz SRIZKDAOSFVRKG-HNNXBMFYSA-N 2 2 297.402 3.389 20 0 CGADLP Cc1cc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c(C)s1 ZINC000556952185 376910390 /nfs/dbraw/zinc/91/03/90/376910390.db2.gz HXXRGJJPHROTIV-KRWDZBQOSA-N 2 2 286.444 3.342 20 0 CGADLP Cc1ccccc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340106700 376918455 /nfs/dbraw/zinc/91/84/55/376918455.db2.gz SNMBRSCJGXKINB-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C2CC2)c1 ZINC000340356177 377019150 /nfs/dbraw/zinc/01/91/50/377019150.db2.gz NZPGBBUIQDFKGU-DYVFJYSZSA-N 2 2 281.403 3.426 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246429975 377027852 /nfs/dbraw/zinc/02/78/52/377027852.db2.gz SYEVQDBBRDCHSG-STQMWFEESA-N 2 2 294.826 3.065 20 0 CGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246429975 377027861 /nfs/dbraw/zinc/02/78/61/377027861.db2.gz SYEVQDBBRDCHSG-STQMWFEESA-N 2 2 294.826 3.065 20 0 CGADLP c1ccc(NCCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000558696273 377033414 /nfs/dbraw/zinc/03/34/14/377033414.db2.gz BTZQWPIIIOGHPT-ZNMIVQPWSA-N 2 2 259.397 3.052 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000340419078 377046078 /nfs/dbraw/zinc/04/60/78/377046078.db2.gz WBVHTONLJBOMGE-KBPBESRZSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000340419078 377046085 /nfs/dbraw/zinc/04/60/85/377046085.db2.gz WBVHTONLJBOMGE-KBPBESRZSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000340301654 376990806 /nfs/dbraw/zinc/99/08/06/376990806.db2.gz NQKNYLQPOGODOM-IRXDYDNUSA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[NH+](C)C ZINC000558257441 376991103 /nfs/dbraw/zinc/99/11/03/376991103.db2.gz MSVDEAQGVDXVKG-JTQLQIEISA-N 2 2 275.223 3.076 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000247287816 377190002 /nfs/dbraw/zinc/19/00/02/377190002.db2.gz YYSHIIIRQNIVAJ-PNBKFKSVSA-N 2 2 288.435 3.462 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000247287816 377190012 /nfs/dbraw/zinc/19/00/12/377190012.db2.gz YYSHIIIRQNIVAJ-PNBKFKSVSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000247287816 377190018 /nfs/dbraw/zinc/19/00/18/377190018.db2.gz YYSHIIIRQNIVAJ-PNBKFKSVSA-N 2 2 288.435 3.462 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000247287816 377190023 /nfs/dbraw/zinc/19/00/23/377190023.db2.gz YYSHIIIRQNIVAJ-PNBKFKSVSA-N 2 2 288.435 3.462 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000247156755 377169620 /nfs/dbraw/zinc/16/96/20/377169620.db2.gz TYQVRQGXONKJJS-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000247156755 377169624 /nfs/dbraw/zinc/16/96/24/377169624.db2.gz TYQVRQGXONKJJS-CPUCHLNUSA-N 2 2 258.409 3.309 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000247964381 377249283 /nfs/dbraw/zinc/24/92/83/377249283.db2.gz GPCLHESVUVNRBF-STQMWFEESA-N 2 2 295.496 3.261 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000247964381 377249292 /nfs/dbraw/zinc/24/92/92/377249292.db2.gz GPCLHESVUVNRBF-STQMWFEESA-N 2 2 295.496 3.261 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247976563 377252208 /nfs/dbraw/zinc/25/22/08/377252208.db2.gz HWEXZKRTYQKIPX-JFIYKMOQSA-N 2 2 289.467 3.174 20 0 CGADLP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247976563 377252215 /nfs/dbraw/zinc/25/22/15/377252215.db2.gz HWEXZKRTYQKIPX-JFIYKMOQSA-N 2 2 289.467 3.174 20 0 CGADLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000560942803 377200495 /nfs/dbraw/zinc/20/04/95/377200495.db2.gz JHDKUHNLAYFWDI-OAHLLOKOSA-N 2 2 290.794 3.427 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000562564374 377332410 /nfs/dbraw/zinc/33/24/10/377332410.db2.gz GCRRTPXZNRQISQ-KBPBESRZSA-N 2 2 263.429 3.483 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248589973 377359921 /nfs/dbraw/zinc/35/99/21/377359921.db2.gz ZCIGBINAUVCATH-NEPJUHHUSA-N 2 2 284.806 3.424 20 0 CGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000248589973 377359931 /nfs/dbraw/zinc/35/99/31/377359931.db2.gz ZCIGBINAUVCATH-NEPJUHHUSA-N 2 2 284.806 3.424 20 0 CGADLP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562968950 377380918 /nfs/dbraw/zinc/38/09/18/377380918.db2.gz FTWGGGMXZLPGNG-QZTJIDSGSA-N 2 2 288.410 3.088 20 0 CGADLP C[C@H]1CCC[C@H](CC[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129394 377411903 /nfs/dbraw/zinc/41/19/03/377411903.db2.gz QACKHXPYYQAXHX-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP C[C@H]1CCC[C@H](CC[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000341129394 377411909 /nfs/dbraw/zinc/41/19/09/377411909.db2.gz QACKHXPYYQAXHX-JKSUJKDBSA-N 2 2 263.429 3.421 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000163691778 542169422 /nfs/dbraw/zinc/16/94/22/542169422.db2.gz GHGKPIJNZZMLDZ-CYBMUJFWSA-N 2 2 296.842 3.101 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000163622505 542167576 /nfs/dbraw/zinc/16/75/76/542167576.db2.gz CILCPSVDWJHXOQ-INIZCTEOSA-N 2 2 290.451 3.065 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000313247734 249089600 /nfs/dbraw/zinc/08/96/00/249089600.db2.gz DIODCEBZNSVCSL-INIZCTEOSA-N 2 2 289.810 3.357 20 0 CGADLP C[NH2+]CC[N@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000469866396 249160963 /nfs/dbraw/zinc/16/09/63/249160963.db2.gz PZXUZKDOGVSUQM-UHFFFAOYSA-N 2 2 268.404 3.313 20 0 CGADLP C[NH2+]CC[N@@H+](C)Cc1cccc(-c2ccccc2C)c1 ZINC000469866396 249160965 /nfs/dbraw/zinc/16/09/65/249160965.db2.gz PZXUZKDOGVSUQM-UHFFFAOYSA-N 2 2 268.404 3.313 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)CCCC2 ZINC000516857043 249245846 /nfs/dbraw/zinc/24/58/46/249245846.db2.gz LZQDUOYTYZJAAS-RDJZCZTQSA-N 2 2 281.403 3.113 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000516914586 249249282 /nfs/dbraw/zinc/24/92/82/249249282.db2.gz PWUWWWKOMMXMSL-QWRGUYRKSA-N 2 2 278.783 3.425 20 0 CGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCC23CC3)c[nH+]1 ZINC000517246808 249261244 /nfs/dbraw/zinc/26/12/44/249261244.db2.gz JHZQORXIYQQOOP-MRXNPFEDSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251869531 377603447 /nfs/dbraw/zinc/60/34/47/377603447.db2.gz TXNXJMJYPBMOGN-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251869531 377603453 /nfs/dbraw/zinc/60/34/53/377603453.db2.gz TXNXJMJYPBMOGN-TVQRCGJNSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252674361 377649862 /nfs/dbraw/zinc/64/98/62/377649862.db2.gz QNQCIIKGRFNPDT-HOSILWTGSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252674361 377649868 /nfs/dbraw/zinc/64/98/68/377649868.db2.gz QNQCIIKGRFNPDT-HOSILWTGSA-N 2 2 274.408 3.119 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000252712002 377655135 /nfs/dbraw/zinc/65/51/35/377655135.db2.gz LFLAJJQXAKGOQJ-SRTKAIALSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C[N@H+]1C1CC1 ZINC000252712002 377655148 /nfs/dbraw/zinc/65/51/48/377655148.db2.gz LFLAJJQXAKGOQJ-SRTKAIALSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000574516304 377673070 /nfs/dbraw/zinc/67/30/70/377673070.db2.gz DIYQDLGPZFZCCH-HOCLYGCPSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000574516304 377673079 /nfs/dbraw/zinc/67/30/79/377673079.db2.gz DIYQDLGPZFZCCH-HOCLYGCPSA-N 2 2 278.440 3.311 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574514160 377673200 /nfs/dbraw/zinc/67/32/00/377673200.db2.gz VYEOWMJGWLEZQG-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574514160 377673209 /nfs/dbraw/zinc/67/32/09/377673209.db2.gz VYEOWMJGWLEZQG-KBMXLJTQSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975227 377731942 /nfs/dbraw/zinc/73/19/42/377731942.db2.gz WYRJFEBXGOLBDP-LJISPDSOSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975227 377731952 /nfs/dbraw/zinc/73/19/52/377731952.db2.gz WYRJFEBXGOLBDP-LJISPDSOSA-N 2 2 278.465 3.172 20 0 CGADLP C[N@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342686558 377735562 /nfs/dbraw/zinc/73/55/62/377735562.db2.gz YTTZWKMOKSFQPU-UHFFFAOYSA-N 2 2 257.362 3.028 20 0 CGADLP C[N@@H+](Cc1cccs1)Cc1cccc2[nH+]ccn21 ZINC000342686558 377735566 /nfs/dbraw/zinc/73/55/66/377735566.db2.gz YTTZWKMOKSFQPU-UHFFFAOYSA-N 2 2 257.362 3.028 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000342718529 377754301 /nfs/dbraw/zinc/75/43/01/377754301.db2.gz GLJGAUMGHMGPBH-INMHGKMJSA-N 2 2 260.425 3.080 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000342718529 377754306 /nfs/dbraw/zinc/75/43/06/377754306.db2.gz GLJGAUMGHMGPBH-INMHGKMJSA-N 2 2 260.425 3.080 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000342747792 377772210 /nfs/dbraw/zinc/77/22/10/377772210.db2.gz WKEIQPFFYGGBCU-VBNZEHGJSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1 ZINC000342747792 377772221 /nfs/dbraw/zinc/77/22/21/377772221.db2.gz WKEIQPFFYGGBCU-VBNZEHGJSA-N 2 2 264.388 3.349 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc(C4CC4)cs3)C2)[nH]1 ZINC000342752478 377772789 /nfs/dbraw/zinc/77/27/89/377772789.db2.gz OQWCCMJGEBPJPB-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc(C4CC4)cs3)C2)[nH]1 ZINC000342752478 377772793 /nfs/dbraw/zinc/77/27/93/377772793.db2.gz OQWCCMJGEBPJPB-GFCCVEGCSA-N 2 2 288.420 3.123 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000261558230 377816015 /nfs/dbraw/zinc/81/60/15/377816015.db2.gz DATIWZAISLHVKJ-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000261558230 377816022 /nfs/dbraw/zinc/81/60/22/377816022.db2.gz DATIWZAISLHVKJ-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP c1ccc(COc2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000261553497 377816610 /nfs/dbraw/zinc/81/66/10/377816610.db2.gz SOTHGAKJTSGROA-GOSISDBHSA-N 2 2 296.414 3.107 20 0 CGADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000342820240 377817501 /nfs/dbraw/zinc/81/75/01/377817501.db2.gz HMXJJPITSOEESQ-HNNXBMFYSA-N 2 2 299.393 3.412 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261574006 377820275 /nfs/dbraw/zinc/82/02/75/377820275.db2.gz AYEMTBAMNZBXOE-HCKVZZMMSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261574006 377820283 /nfs/dbraw/zinc/82/02/83/377820283.db2.gz AYEMTBAMNZBXOE-HCKVZZMMSA-N 2 2 282.790 3.224 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261579270 377820922 /nfs/dbraw/zinc/82/09/22/377820922.db2.gz PKBWPSQNAHDHDG-ZLDLUXBVSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261579270 377820924 /nfs/dbraw/zinc/82/09/24/377820924.db2.gz PKBWPSQNAHDHDG-ZLDLUXBVSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261587498 377823209 /nfs/dbraw/zinc/82/32/09/377823209.db2.gz JMIMYBSCRHHQAA-IAQYHMDHSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261587498 377823214 /nfs/dbraw/zinc/82/32/14/377823214.db2.gz JMIMYBSCRHHQAA-IAQYHMDHSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261587499 377823760 /nfs/dbraw/zinc/82/37/60/377823760.db2.gz JMIMYBSCRHHQAA-NHYWBVRUSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261587499 377823766 /nfs/dbraw/zinc/82/37/66/377823766.db2.gz JMIMYBSCRHHQAA-NHYWBVRUSA-N 2 2 282.790 3.226 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000261652586 377833609 /nfs/dbraw/zinc/83/36/09/377833609.db2.gz DJCATQKKEBHGDJ-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000261652586 377833620 /nfs/dbraw/zinc/83/36/20/377833620.db2.gz DJCATQKKEBHGDJ-CYBMUJFWSA-N 2 2 290.304 3.015 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929588 377862415 /nfs/dbraw/zinc/86/24/15/377862415.db2.gz FYJYUGBTOGTCJG-KBPBESRZSA-N 2 2 257.381 3.345 20 0 CGADLP C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342929588 377862420 /nfs/dbraw/zinc/86/24/20/377862420.db2.gz FYJYUGBTOGTCJG-KBPBESRZSA-N 2 2 257.381 3.345 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000261919361 377867549 /nfs/dbraw/zinc/86/75/49/377867549.db2.gz HMNUNBJNDUVZSK-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000261919361 377867554 /nfs/dbraw/zinc/86/75/54/377867554.db2.gz HMNUNBJNDUVZSK-HNNXBMFYSA-N 2 2 299.418 3.081 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]2Cc2ccccc2)[nH+]1 ZINC000342941730 377869231 /nfs/dbraw/zinc/86/92/31/377869231.db2.gz KQZKGICKSFZVIL-MRXNPFEDSA-N 2 2 277.371 3.151 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]2Cc2ccccc2)[nH+]1 ZINC000342941730 377869237 /nfs/dbraw/zinc/86/92/37/377869237.db2.gz KQZKGICKSFZVIL-MRXNPFEDSA-N 2 2 277.371 3.151 20 0 CGADLP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261952959 377871451 /nfs/dbraw/zinc/87/14/51/377871451.db2.gz GFXKGHFMUSNRJI-AWEZNQCLSA-N 2 2 287.234 3.425 20 0 CGADLP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261952959 377871455 /nfs/dbraw/zinc/87/14/55/377871455.db2.gz GFXKGHFMUSNRJI-AWEZNQCLSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261983754 377876327 /nfs/dbraw/zinc/87/63/27/377876327.db2.gz RSMVKFANQIHKKY-NSHDSACASA-N 2 2 272.845 3.366 20 0 CGADLP CC[N@@H+](Cc1sccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261983754 377876334 /nfs/dbraw/zinc/87/63/34/377876334.db2.gz RSMVKFANQIHKKY-NSHDSACASA-N 2 2 272.845 3.366 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009217 377878890 /nfs/dbraw/zinc/87/88/90/377878890.db2.gz MCUQPJPZYUNNPH-IRXDYDNUSA-N 2 2 294.389 3.004 20 0 CGADLP Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262009217 377878895 /nfs/dbraw/zinc/87/88/95/377878895.db2.gz MCUQPJPZYUNNPH-IRXDYDNUSA-N 2 2 294.389 3.004 20 0 CGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)[C@H](C)C1 ZINC000343291623 377947997 /nfs/dbraw/zinc/94/79/97/377947997.db2.gz SBBLMHIKCDAQSL-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)[C@H](C)C1 ZINC000343291623 377948000 /nfs/dbraw/zinc/94/80/00/377948000.db2.gz SBBLMHIKCDAQSL-CQSZACIVSA-N 2 2 299.418 3.082 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](CC[NH3+])C1CC1 ZINC000262910421 377911300 /nfs/dbraw/zinc/91/13/00/377911300.db2.gz FRHRWQKQXQSLLM-ZDUSSCGKSA-N 2 2 254.377 3.324 20 0 CGADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CC[NH3+])C1CC1 ZINC000262910421 377911305 /nfs/dbraw/zinc/91/13/05/377911305.db2.gz FRHRWQKQXQSLLM-ZDUSSCGKSA-N 2 2 254.377 3.324 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000343461228 377987106 /nfs/dbraw/zinc/98/71/06/377987106.db2.gz WFJJHUPNKFDMAP-IAGOWNOFSA-N 2 2 289.467 3.346 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000343461228 377987113 /nfs/dbraw/zinc/98/71/13/377987113.db2.gz WFJJHUPNKFDMAP-IAGOWNOFSA-N 2 2 289.467 3.346 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000580415152 378249095 /nfs/dbraw/zinc/24/90/95/378249095.db2.gz DVMTXCGJIIMPRD-RRFJBIMHSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000580415152 378249099 /nfs/dbraw/zinc/24/90/99/378249099.db2.gz DVMTXCGJIIMPRD-RRFJBIMHSA-N 2 2 252.446 3.131 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000580782086 378258246 /nfs/dbraw/zinc/25/82/46/378258246.db2.gz SWWQDOWFKHPQQO-QAPCUYQASA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000580782086 378258251 /nfs/dbraw/zinc/25/82/51/378258251.db2.gz SWWQDOWFKHPQQO-QAPCUYQASA-N 2 2 295.430 3.015 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+]1CCCC[C@H]1C ZINC000582312386 378303925 /nfs/dbraw/zinc/30/39/25/378303925.db2.gz WHTQRLZASBXWSK-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+]1CCCC[C@H]1C ZINC000582312386 378303929 /nfs/dbraw/zinc/30/39/29/378303929.db2.gz WHTQRLZASBXWSK-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000583455883 378324857 /nfs/dbraw/zinc/32/48/57/378324857.db2.gz AXCHSRYILUCWTQ-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000583455883 378324861 /nfs/dbraw/zinc/32/48/61/378324861.db2.gz AXCHSRYILUCWTQ-RYGJVYDSSA-N 2 2 298.474 3.388 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc4ccccc4c3)C2)[nH]1 ZINC000271144695 378463080 /nfs/dbraw/zinc/46/30/80/378463080.db2.gz ZRLYTMOHKFDNKX-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc4ccccc4c3)C2)[nH]1 ZINC000271144695 378463083 /nfs/dbraw/zinc/46/30/83/378463083.db2.gz ZRLYTMOHKFDNKX-INIZCTEOSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccn(C)c1 ZINC000346223177 378510317 /nfs/dbraw/zinc/51/03/17/378510317.db2.gz QBUFSBFHUIMWNL-IBGZPJMESA-N 2 2 299.462 3.271 20 0 CGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccn(C)c1 ZINC000346223177 378510320 /nfs/dbraw/zinc/51/03/20/378510320.db2.gz QBUFSBFHUIMWNL-IBGZPJMESA-N 2 2 299.462 3.271 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCC2CC2)CC1 ZINC000346580966 378631147 /nfs/dbraw/zinc/63/11/47/378631147.db2.gz ZRXNRMRNTSAJEC-CQSZACIVSA-N 2 2 282.472 3.044 20 0 CGADLP CCCCOCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346532948 378607559 /nfs/dbraw/zinc/60/75/59/378607559.db2.gz GPBUGQHHKHZMBQ-OAHLLOKOSA-N 2 2 287.407 3.340 20 0 CGADLP Cc1cc(NCc2[nH]cc[nH+]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000272459536 378642780 /nfs/dbraw/zinc/64/27/80/378642780.db2.gz NXYLAWCOUBWCOO-ZDUSSCGKSA-N 2 2 285.395 3.104 20 0 CGADLP CC[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644682 /nfs/dbraw/zinc/64/46/82/378644682.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644685 /nfs/dbraw/zinc/64/46/85/378644685.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644688 /nfs/dbraw/zinc/64/46/88/378644688.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 2 282.472 3.139 20 0 CGADLP CC[C@](C)(C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)OC ZINC000637953583 378644692 /nfs/dbraw/zinc/64/46/92/378644692.db2.gz VLNAKPIBSJWGFU-VVLHAWIVSA-N 2 2 282.472 3.139 20 0 CGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637954482 378645138 /nfs/dbraw/zinc/64/51/38/378645138.db2.gz WJRZUUYZXJHOKC-CQSZACIVSA-N 2 2 285.391 3.106 20 0 CGADLP COc1cccc(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000637954482 378645145 /nfs/dbraw/zinc/64/51/45/378645145.db2.gz WJRZUUYZXJHOKC-CQSZACIVSA-N 2 2 285.391 3.106 20 0 CGADLP C([C@H]1CCC[N@H+]1CC1CCSCC1)[NH+]1CCCCC1 ZINC000637959130 378647013 /nfs/dbraw/zinc/64/70/13/378647013.db2.gz CDGYVVVWRGKXTQ-MRXNPFEDSA-N 2 2 282.497 3.080 20 0 CGADLP C([C@H]1CCC[N@@H+]1CC1CCSCC1)[NH+]1CCCCC1 ZINC000637959130 378647017 /nfs/dbraw/zinc/64/70/17/378647017.db2.gz CDGYVVVWRGKXTQ-MRXNPFEDSA-N 2 2 282.497 3.080 20 0 CGADLP CC(C)(C[NH2+]CCCCn1cc[nH+]c1)Oc1ccccc1 ZINC000638405020 378791836 /nfs/dbraw/zinc/79/18/36/378791836.db2.gz SYZCVZQYJAWPBL-UHFFFAOYSA-N 2 2 287.407 3.111 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348137671 378808664 /nfs/dbraw/zinc/80/86/64/378808664.db2.gz QSAQYOYYLSZERB-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348137671 378808666 /nfs/dbraw/zinc/80/86/66/378808666.db2.gz QSAQYOYYLSZERB-GOSISDBHSA-N 2 2 288.435 3.214 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(F)cc1N(C)C ZINC000346804628 218021400 /nfs/dbraw/zinc/02/14/00/218021400.db2.gz HJNKRVDMVRWPJM-HEHGZKQESA-N 2 2 293.430 3.025 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(F)cc1N(C)C ZINC000346804628 218021402 /nfs/dbraw/zinc/02/14/02/218021402.db2.gz HJNKRVDMVRWPJM-HEHGZKQESA-N 2 2 293.430 3.025 20 0 CGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H](C)C[NH+](C)C ZINC000348308403 378899257 /nfs/dbraw/zinc/89/92/57/378899257.db2.gz ROHHWPIFLAZVSJ-HOCLYGCPSA-N 2 2 260.425 3.221 20 0 CGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C(C)(C)C ZINC000346939324 218064355 /nfs/dbraw/zinc/06/43/55/218064355.db2.gz HVQYJSIXNAXZJD-UKRRQHHQSA-N 2 2 290.455 3.068 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347005175 218089863 /nfs/dbraw/zinc/08/98/63/218089863.db2.gz BJUASBLWGUJEIV-QGZVFWFLSA-N 2 2 281.403 3.062 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000347005175 218089865 /nfs/dbraw/zinc/08/98/65/218089865.db2.gz BJUASBLWGUJEIV-QGZVFWFLSA-N 2 2 281.403 3.062 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000278537517 194032370 /nfs/dbraw/zinc/03/23/70/194032370.db2.gz SPEONJZFUWNDRM-INIZCTEOSA-N 2 2 292.492 3.240 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000278537517 194032373 /nfs/dbraw/zinc/03/23/73/194032373.db2.gz SPEONJZFUWNDRM-INIZCTEOSA-N 2 2 292.492 3.240 20 0 CGADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc(OC(F)(F)F)cc1 ZINC000348330595 378912739 /nfs/dbraw/zinc/91/27/39/378912739.db2.gz SVKARSCONLTBFD-ZDUSSCGKSA-N 2 2 290.329 3.188 20 0 CGADLP F[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000348329777 378912912 /nfs/dbraw/zinc/91/29/12/378912912.db2.gz RJFIWOZLMMJXNJ-ZACQAIPSSA-N 2 2 276.399 3.131 20 0 CGADLP F[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000348329777 378912916 /nfs/dbraw/zinc/91/29/16/378912916.db2.gz RJFIWOZLMMJXNJ-ZACQAIPSSA-N 2 2 276.399 3.131 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OC(F)F)cc1C ZINC000346992077 218083188 /nfs/dbraw/zinc/08/31/88/218083188.db2.gz ABGLORCLQMLZOO-JSGCOSHPSA-N 2 2 298.377 3.074 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(OC(F)F)cc1C ZINC000346992077 218083190 /nfs/dbraw/zinc/08/31/90/218083190.db2.gz ABGLORCLQMLZOO-JSGCOSHPSA-N 2 2 298.377 3.074 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348340749 378917386 /nfs/dbraw/zinc/91/73/86/378917386.db2.gz XMZWGJKYNWUTSS-DOTOQJQBSA-N 2 2 290.426 3.379 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348340749 378917391 /nfs/dbraw/zinc/91/73/91/378917391.db2.gz XMZWGJKYNWUTSS-DOTOQJQBSA-N 2 2 290.426 3.379 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405161 378944081 /nfs/dbraw/zinc/94/40/81/378944081.db2.gz GCXDKEBKIACCQL-JHJVBQTASA-N 2 2 281.469 3.071 20 0 CGADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348405161 378944087 /nfs/dbraw/zinc/94/40/87/378944087.db2.gz GCXDKEBKIACCQL-JHJVBQTASA-N 2 2 281.469 3.071 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000347019913 218094234 /nfs/dbraw/zinc/09/42/34/218094234.db2.gz MAWMSWJNHRGLKD-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000347019913 218094238 /nfs/dbraw/zinc/09/42/38/218094238.db2.gz MAWMSWJNHRGLKD-QGZVFWFLSA-N 2 2 299.393 3.201 20 0 CGADLP CC(C)(C)OCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094268 218119697 /nfs/dbraw/zinc/11/96/97/218119697.db2.gz QTXJPRCBOUMPMQ-INIZCTEOSA-N 2 2 292.423 3.130 20 0 CGADLP CC(C)(C)OCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094268 218119698 /nfs/dbraw/zinc/11/96/98/218119698.db2.gz QTXJPRCBOUMPMQ-INIZCTEOSA-N 2 2 292.423 3.130 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc(C)c1OC(F)F ZINC000347105908 218122834 /nfs/dbraw/zinc/12/28/34/218122834.db2.gz NSBRXIMZUGUIGA-AWEZNQCLSA-N 2 2 298.377 3.218 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])cc(C)c1OC(F)F ZINC000347105908 218122836 /nfs/dbraw/zinc/12/28/36/218122836.db2.gz NSBRXIMZUGUIGA-AWEZNQCLSA-N 2 2 298.377 3.218 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc(C)c1OC(F)F ZINC000347105909 218122846 /nfs/dbraw/zinc/12/28/46/218122846.db2.gz NSBRXIMZUGUIGA-CQSZACIVSA-N 2 2 298.377 3.218 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc(C)c1OC(F)F ZINC000347105909 218122848 /nfs/dbraw/zinc/12/28/48/218122848.db2.gz NSBRXIMZUGUIGA-CQSZACIVSA-N 2 2 298.377 3.218 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000347152702 218138973 /nfs/dbraw/zinc/13/89/73/218138973.db2.gz PAPMZLWADVYPBX-GLQYFDAESA-N 2 2 294.439 3.292 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)[C@@H](C)C1 ZINC000347152702 218138974 /nfs/dbraw/zinc/13/89/74/218138974.db2.gz PAPMZLWADVYPBX-GLQYFDAESA-N 2 2 294.439 3.292 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000639070913 379001164 /nfs/dbraw/zinc/00/11/64/379001164.db2.gz FEECUVLENYAIQM-ZFWWWQNUSA-N 2 2 261.413 3.004 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000277055292 379055942 /nfs/dbraw/zinc/05/59/42/379055942.db2.gz QQNNOHZZWYZSIW-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000277055292 379055944 /nfs/dbraw/zinc/05/59/44/379055944.db2.gz QQNNOHZZWYZSIW-OAHLLOKOSA-N 2 2 299.418 3.339 20 0 CGADLP Cc1cccc2[nH+]c(CNc3cc[nH+]c4ccccc34)cn21 ZINC000347322341 218191132 /nfs/dbraw/zinc/19/11/32/218191132.db2.gz SPTLYDBIPIKICM-UHFFFAOYSA-N 2 2 288.354 3.225 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccs2)CC1 ZINC000278727695 194125052 /nfs/dbraw/zinc/12/50/52/194125052.db2.gz PZGQLDZWHDGTOA-UHFFFAOYSA-N 2 2 288.416 3.495 20 0 CGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347453908 218241733 /nfs/dbraw/zinc/24/17/33/218241733.db2.gz KZMGIGPTMKNLJR-IAGOWNOFSA-N 2 2 299.418 3.061 20 0 CGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347453908 218241735 /nfs/dbraw/zinc/24/17/35/218241735.db2.gz KZMGIGPTMKNLJR-IAGOWNOFSA-N 2 2 299.418 3.061 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289998 379133034 /nfs/dbraw/zinc/13/30/34/379133034.db2.gz RGAHBQAAYAPHHU-IJEWVQPXSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289998 379133041 /nfs/dbraw/zinc/13/30/41/379133041.db2.gz RGAHBQAAYAPHHU-IJEWVQPXSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131657 379164095 /nfs/dbraw/zinc/16/40/95/379164095.db2.gz QSPNXZCMHKBXQK-UKRRQHHQSA-N 2 2 287.382 3.152 20 0 CGADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000349131657 379164102 /nfs/dbraw/zinc/16/41/02/379164102.db2.gz QSPNXZCMHKBXQK-UKRRQHHQSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000349341641 379238155 /nfs/dbraw/zinc/23/81/55/379238155.db2.gz BXCHYSWYSYQUHD-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000349341641 379238160 /nfs/dbraw/zinc/23/81/60/379238160.db2.gz BXCHYSWYSYQUHD-UHFFFAOYSA-N 2 2 257.381 3.022 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349379628 379257456 /nfs/dbraw/zinc/25/74/56/379257456.db2.gz CJQCROSOSQDNQT-IRXDYDNUSA-N 2 2 269.392 3.009 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349379628 379257463 /nfs/dbraw/zinc/25/74/63/379257463.db2.gz CJQCROSOSQDNQT-IRXDYDNUSA-N 2 2 269.392 3.009 20 0 CGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000349381606 379262173 /nfs/dbraw/zinc/26/21/73/379262173.db2.gz HMFQQXHSZKXHDA-UHFFFAOYSA-N 2 2 294.487 3.192 20 0 CGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000349381606 379262177 /nfs/dbraw/zinc/26/21/77/379262177.db2.gz HMFQQXHSZKXHDA-UHFFFAOYSA-N 2 2 294.487 3.192 20 0 CGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)nc1 ZINC000373524855 379292933 /nfs/dbraw/zinc/29/29/33/379292933.db2.gz VMLIDSYQYRYVOV-GRTSSRMGSA-N 2 2 293.842 3.403 20 0 CGADLP CCn1nc(C)c(C[N@H+](CC)CCC[NH+](CC)CC)c1C ZINC000349414535 379273587 /nfs/dbraw/zinc/27/35/87/379273587.db2.gz GXCPTUWWCLWQGJ-UHFFFAOYSA-N 2 2 294.487 3.074 20 0 CGADLP CCn1nc(C)c(C[N@@H+](CC)CCC[NH+](CC)CC)c1C ZINC000349414535 379273595 /nfs/dbraw/zinc/27/35/95/379273595.db2.gz GXCPTUWWCLWQGJ-UHFFFAOYSA-N 2 2 294.487 3.074 20 0 CGADLP Cc1ccc2[nH]c(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2c1C ZINC000349644260 379329057 /nfs/dbraw/zinc/32/90/57/379329057.db2.gz HRGCDWQYTNLSHI-CYBMUJFWSA-N 2 2 282.391 3.160 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2cccc3c2CCOC3)c[nH+]1 ZINC000639387213 379350726 /nfs/dbraw/zinc/35/07/26/379350726.db2.gz PIKLWZMENDGHMW-UHFFFAOYSA-N 2 2 296.414 3.185 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+][C@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000639390580 379357904 /nfs/dbraw/zinc/35/79/04/379357904.db2.gz GFPXFVRINBJLRP-KBMXLJTQSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)[C@@H]3CC3(F)F)C2)cc1 ZINC000639390580 379357915 /nfs/dbraw/zinc/35/79/15/379357915.db2.gz GFPXFVRINBJLRP-KBMXLJTQSA-N 2 2 294.389 3.203 20 0 CGADLP Cc1cc(C)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000639453623 379403064 /nfs/dbraw/zinc/40/30/64/379403064.db2.gz OYFCLEIPEFPJDB-QGZVFWFLSA-N 2 2 287.451 3.067 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2OC)CC1 ZINC000350000877 379473422 /nfs/dbraw/zinc/47/34/22/379473422.db2.gz IZZQNQJZKIKWER-CLFYSBASSA-N 2 2 288.435 3.125 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2OC)CC1 ZINC000350000877 379473432 /nfs/dbraw/zinc/47/34/32/379473432.db2.gz IZZQNQJZKIKWER-CLFYSBASSA-N 2 2 288.435 3.125 20 0 CGADLP COC[C@H]([NH2+]Cc1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC000639581884 379489244 /nfs/dbraw/zinc/48/92/44/379489244.db2.gz SXEHMYVXVLBGPD-SFHVURJKSA-N 2 2 284.403 3.484 20 0 CGADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375265802 379490815 /nfs/dbraw/zinc/49/08/15/379490815.db2.gz CMJPEDXTSASODD-ZFWWWQNUSA-N 2 2 261.413 3.278 20 0 CGADLP COC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC(C)CC1 ZINC000279922607 379552998 /nfs/dbraw/zinc/55/29/98/379552998.db2.gz XKCQHDCZRLHGPM-UHFFFAOYSA-N 2 2 287.407 3.019 20 0 CGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000347668050 218314068 /nfs/dbraw/zinc/31/40/68/218314068.db2.gz HORLIIYLFIXLNC-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000347668050 218314070 /nfs/dbraw/zinc/31/40/70/218314070.db2.gz HORLIIYLFIXLNC-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP Fc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1F ZINC000376854352 379611612 /nfs/dbraw/zinc/61/16/12/379611612.db2.gz BFRWYSCJTSHRPY-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP Fc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1F ZINC000376854352 379611617 /nfs/dbraw/zinc/61/16/17/379611617.db2.gz BFRWYSCJTSHRPY-MRXNPFEDSA-N 2 2 291.345 3.389 20 0 CGADLP CC[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)[NH+]1CCCC1 ZINC000280413316 379700835 /nfs/dbraw/zinc/70/08/35/379700835.db2.gz YTNMOCNELXFIGE-MSOLQXFVSA-N 2 2 287.451 3.387 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000640017289 379687209 /nfs/dbraw/zinc/68/72/09/379687209.db2.gz LIKKADRBAIDHEX-UHFFFAOYSA-N 2 2 296.405 3.314 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C2 ZINC000377413101 379676581 /nfs/dbraw/zinc/67/65/81/379676581.db2.gz QEHMDUBSOQKCTK-ULQDDVLXSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000377413101 379676589 /nfs/dbraw/zinc/67/65/89/379676589.db2.gz QEHMDUBSOQKCTK-ULQDDVLXSA-N 2 2 295.430 3.268 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377412753 379677066 /nfs/dbraw/zinc/67/70/66/379677066.db2.gz OLGOMEMPUMOCPX-IAQYHMDHSA-N 2 2 285.391 3.163 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377412753 379677077 /nfs/dbraw/zinc/67/70/77/379677077.db2.gz OLGOMEMPUMOCPX-IAQYHMDHSA-N 2 2 285.391 3.163 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377414386 379677870 /nfs/dbraw/zinc/67/78/70/379677870.db2.gz XOUVNBBFMVXPDL-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377414386 379677876 /nfs/dbraw/zinc/67/78/76/379677876.db2.gz XOUVNBBFMVXPDL-INIZCTEOSA-N 2 2 283.419 3.335 20 0 CGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000639988068 379679136 /nfs/dbraw/zinc/67/91/36/379679136.db2.gz NATKZIVELSOKGZ-MRXNPFEDSA-N 2 2 287.451 3.483 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000267292255 190318898 /nfs/dbraw/zinc/31/88/98/190318898.db2.gz RPLBNOYWGJRNHF-MAUKXSAKSA-N 2 2 284.403 3.280 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000267292255 190318899 /nfs/dbraw/zinc/31/88/99/190318899.db2.gz RPLBNOYWGJRNHF-MAUKXSAKSA-N 2 2 284.403 3.280 20 0 CGADLP Cc1cc[nH+]c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000347726976 218335084 /nfs/dbraw/zinc/33/50/84/218335084.db2.gz WFZPETMSNCIMLO-UHFFFAOYSA-N 2 2 278.359 3.247 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280439063 379706594 /nfs/dbraw/zinc/70/65/94/379706594.db2.gz CLXFLAHXRKOZNM-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280439063 379706604 /nfs/dbraw/zinc/70/66/04/379706604.db2.gz CLXFLAHXRKOZNM-QZTJIDSGSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425544 190329581 /nfs/dbraw/zinc/32/95/81/190329581.db2.gz LKHKBIANVRXIMC-GDBMZVCRSA-N 2 2 269.392 3.393 20 0 CGADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267425544 190329582 /nfs/dbraw/zinc/32/95/82/190329582.db2.gz LKHKBIANVRXIMC-GDBMZVCRSA-N 2 2 269.392 3.393 20 0 CGADLP Cc1cccc(CC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000347787028 218357851 /nfs/dbraw/zinc/35/78/51/218357851.db2.gz GIIWUTNGXFRHKH-UHFFFAOYSA-N 2 2 268.404 3.463 20 0 CGADLP COC[C@@H](C)C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398078151 379926862 /nfs/dbraw/zinc/92/68/62/379926862.db2.gz ANLVFOMDPMLTLW-FUHWJXTLSA-N 2 2 292.467 3.015 20 0 CGADLP COC[C@@H](C)C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398078151 379926871 /nfs/dbraw/zinc/92/68/71/379926871.db2.gz ANLVFOMDPMLTLW-FUHWJXTLSA-N 2 2 292.467 3.015 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CCC[N@@H+]1C ZINC000352731233 379929096 /nfs/dbraw/zinc/92/90/96/379929096.db2.gz IEQBUTDGHRKKFN-RFRSMIAGSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)CCC[N@H+]1C ZINC000352731233 379929102 /nfs/dbraw/zinc/92/91/02/379929102.db2.gz IEQBUTDGHRKKFN-RFRSMIAGSA-N 2 2 280.362 3.050 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352812144 379975610 /nfs/dbraw/zinc/97/56/10/379975610.db2.gz ZLCIHCXDPMJECT-CRAIPNDOSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352812144 379975614 /nfs/dbraw/zinc/97/56/14/379975614.db2.gz ZLCIHCXDPMJECT-CRAIPNDOSA-N 2 2 284.403 3.075 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000399018863 379932161 /nfs/dbraw/zinc/93/21/61/379932161.db2.gz GBTPZENYQGYBCV-UHIISALHSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OC(F)F ZINC000399046957 379935001 /nfs/dbraw/zinc/93/50/01/379935001.db2.gz VAHYMSXYTPWOMK-WOPDTQHZSA-N 2 2 284.350 3.079 20 0 CGADLP CCc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352758516 379944367 /nfs/dbraw/zinc/94/43/67/379944367.db2.gz ZGBSRNAATMHQAH-UHFFFAOYSA-N 2 2 289.448 3.057 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000347848175 218375414 /nfs/dbraw/zinc/37/54/14/218375414.db2.gz AKDCVLIUFOLSSB-SFHVURJKSA-N 2 2 288.435 3.215 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000347848175 218375416 /nfs/dbraw/zinc/37/54/16/218375416.db2.gz AKDCVLIUFOLSSB-SFHVURJKSA-N 2 2 288.435 3.215 20 0 CGADLP CCC1(C)CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347849199 218376683 /nfs/dbraw/zinc/37/66/83/218376683.db2.gz RIGHUZAVTRPJPF-UHFFFAOYSA-N 2 2 281.469 3.217 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cc2ccccc2o1 ZINC000400493093 379951159 /nfs/dbraw/zinc/95/11/59/379951159.db2.gz ZWRWTXHGZKLYLP-OBJOEFQTSA-N 2 2 258.365 3.224 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000400510541 379951677 /nfs/dbraw/zinc/95/16/77/379951677.db2.gz LKJAEOGJFLMEJC-LOWVWBTDSA-N 2 2 284.350 3.079 20 0 CGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400452327 379951729 /nfs/dbraw/zinc/95/17/29/379951729.db2.gz RLOASKLGLVUWDK-GRDNDAEWSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)o1 ZINC000352779088 379954323 /nfs/dbraw/zinc/95/43/23/379954323.db2.gz JOVPITWWFDDOHA-NSHDSACASA-N 2 2 293.436 3.265 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000282821012 379996394 /nfs/dbraw/zinc/99/63/94/379996394.db2.gz UEEORGOCBYCKQL-HZPDHXFCSA-N 2 2 264.388 3.441 20 0 CGADLP Cc1cccc(C[N@H+](C)CCCc2c[nH+]ccc2C)n1 ZINC000347872543 218384794 /nfs/dbraw/zinc/38/47/94/218384794.db2.gz SUDLEFLAXPTVRW-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP Cc1cccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)n1 ZINC000347872543 218384795 /nfs/dbraw/zinc/38/47/95/218384795.db2.gz SUDLEFLAXPTVRW-UHFFFAOYSA-N 2 2 269.392 3.158 20 0 CGADLP CSc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000641703249 380050996 /nfs/dbraw/zinc/05/09/96/380050996.db2.gz KWEKZJQXMVTDQG-UHFFFAOYSA-N 2 2 282.453 3.400 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCOCc1ccccc1 ZINC000347915888 218397527 /nfs/dbraw/zinc/39/75/27/218397527.db2.gz JLBVHDKISGUHDA-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCOCc1ccccc1 ZINC000347915888 218397530 /nfs/dbraw/zinc/39/75/30/218397530.db2.gz JLBVHDKISGUHDA-UHFFFAOYSA-N 2 2 298.430 3.471 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000641795876 380109975 /nfs/dbraw/zinc/10/99/75/380109975.db2.gz ARSZDPMBCSREHY-CJNGLKHVSA-N 2 2 299.418 3.352 20 0 CGADLP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000641795876 380109979 /nfs/dbraw/zinc/10/99/79/380109979.db2.gz ARSZDPMBCSREHY-CJNGLKHVSA-N 2 2 299.418 3.352 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nsc2ccccc21 ZINC000641797163 380111857 /nfs/dbraw/zinc/11/18/57/380111857.db2.gz WJRKEDCPSWLPQN-CYBMUJFWSA-N 2 2 277.437 3.102 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nsc2ccccc21 ZINC000641797163 380111861 /nfs/dbraw/zinc/11/18/61/380111861.db2.gz WJRKEDCPSWLPQN-CYBMUJFWSA-N 2 2 277.437 3.102 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000641801984 380111879 /nfs/dbraw/zinc/11/18/79/380111879.db2.gz XIEJVRFZTYLHOQ-KGLIPLIRSA-N 2 2 287.432 3.026 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805273 380113379 /nfs/dbraw/zinc/11/33/79/380113379.db2.gz FIGZLTHQYPQICT-UTUOFQBUSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805273 380113382 /nfs/dbraw/zinc/11/33/82/380113382.db2.gz FIGZLTHQYPQICT-UTUOFQBUSA-N 2 2 266.351 3.167 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000353253770 380190296 /nfs/dbraw/zinc/19/02/96/380190296.db2.gz VUYKTHHVUQYPQK-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000353253770 380190303 /nfs/dbraw/zinc/19/03/03/380190303.db2.gz VUYKTHHVUQYPQK-OAGGEKHMSA-N 2 2 264.457 3.419 20 0 CGADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)[nH+]1 ZINC000414486978 380262618 /nfs/dbraw/zinc/26/26/18/380262618.db2.gz RPSVIHRESCTBRN-HOCLYGCPSA-N 2 2 269.392 3.250 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066441 380211159 /nfs/dbraw/zinc/21/11/59/380211159.db2.gz OPELECAHLDZZFC-AZUAARDMSA-N 2 2 294.442 3.456 20 0 CGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066441 380211163 /nfs/dbraw/zinc/21/11/63/380211163.db2.gz OPELECAHLDZZFC-AZUAARDMSA-N 2 2 294.442 3.456 20 0 CGADLP Cc1cc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)ccc1F ZINC000643501508 380322233 /nfs/dbraw/zinc/32/22/33/380322233.db2.gz JFSYYXPWJIFEJV-WBVHZDCISA-N 2 2 276.399 3.317 20 0 CGADLP Clc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501402 380322420 /nfs/dbraw/zinc/32/24/20/380322420.db2.gz FUFBKVWUEPHKJD-IAQYHMDHSA-N 2 2 264.800 3.059 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cnc2ccsc2c1 ZINC000643502174 380324466 /nfs/dbraw/zinc/32/44/66/380324466.db2.gz ZFXGTCGLDAPVEO-YPMHNXCESA-N 2 2 275.421 3.089 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000643505899 380326168 /nfs/dbraw/zinc/32/61/68/380326168.db2.gz CSHICZSHYMUKKB-SECBINFHSA-N 2 2 273.207 3.396 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000643502537 380326551 /nfs/dbraw/zinc/32/65/51/380326551.db2.gz JMQJQXJWYUQLJN-HUUCEWRRSA-N 2 2 250.361 3.009 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc2c(s1)CCCC2 ZINC000643506589 380327857 /nfs/dbraw/zinc/32/78/57/380327857.db2.gz CGBPBMBJJVXENJ-LLVKDONJSA-N 2 2 264.438 3.030 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000643507201 380329620 /nfs/dbraw/zinc/32/96/20/380329620.db2.gz VSISLWZOFLZCSA-KRWDZBQOSA-N 2 2 272.392 3.472 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c2ccccc21 ZINC000643507783 380330621 /nfs/dbraw/zinc/33/06/21/380330621.db2.gz PJWADIGHTRJDSG-GFCCVEGCSA-N 2 2 272.367 3.382 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)n1-c1ccccc1 ZINC000414509363 380284819 /nfs/dbraw/zinc/28/48/19/380284819.db2.gz CGXUQZBHHHPMRR-LZWOXQAQSA-N 2 2 299.418 3.084 20 0 CGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC(C)(C)C1 ZINC000414533280 380305527 /nfs/dbraw/zinc/30/55/27/380305527.db2.gz IAUHBDRYDFJTHB-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC(C)(C)C1 ZINC000414533280 380305532 /nfs/dbraw/zinc/30/55/32/380305532.db2.gz IAUHBDRYDFJTHB-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccn2)cc1 ZINC000643451892 380308451 /nfs/dbraw/zinc/30/84/51/380308451.db2.gz QRGMPLMBRWWCQS-WMZOPIPTSA-N 2 2 299.393 3.042 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000643464980 380313716 /nfs/dbraw/zinc/31/37/16/380313716.db2.gz URIDSYPGEKEUPL-VXGBXAGGSA-N 2 2 267.442 3.059 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2c(F)cccc2F)c[nH+]1 ZINC000354210594 380366040 /nfs/dbraw/zinc/36/60/40/380366040.db2.gz KXYUWQKQQDNBMP-UHFFFAOYSA-N 2 2 290.357 3.433 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(C(F)(F)F)c1 ZINC000643536275 380352280 /nfs/dbraw/zinc/35/22/80/380352280.db2.gz PLXAHJZRSIFFAA-ICCXJUOJSA-N 2 2 290.304 3.056 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000643537355 380353693 /nfs/dbraw/zinc/35/36/93/380353693.db2.gz GAZQRCXIABZBGU-NXOAAHMSSA-N 2 2 276.399 3.002 20 0 CGADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537513 380354162 /nfs/dbraw/zinc/35/41/62/380354162.db2.gz KPSYJJQULGLCBG-AGIUHOORSA-N 2 2 282.428 3.149 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000643538076 380355740 /nfs/dbraw/zinc/35/57/40/380355740.db2.gz XULNJFFBYYDXOS-XDTLVQLUSA-N 2 2 296.773 3.437 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc2cc(Cl)ccc2o1 ZINC000643538075 380355847 /nfs/dbraw/zinc/35/58/47/380355847.db2.gz XULNJFFBYYDXOS-ICCXJUOJSA-N 2 2 296.773 3.437 20 0 CGADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000414832680 380439880 /nfs/dbraw/zinc/43/98/80/380439880.db2.gz OOQOTCNHLPWONA-MRXNPFEDSA-N 2 2 290.794 3.138 20 0 CGADLP [NH3+][C@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1 ZINC000414838142 380446452 /nfs/dbraw/zinc/44/64/52/380446452.db2.gz VBRYLQOQSJJADW-QGZVFWFLSA-N 2 2 288.435 3.015 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)n1 ZINC000354346297 380408151 /nfs/dbraw/zinc/40/81/51/380408151.db2.gz HCQVKSAFAOHDMP-ZDUSSCGKSA-N 2 2 275.421 3.438 20 0 CGADLP c1cc2c(c(C[NH2+]CC[NH2+]C3CCCCCC3)c1)NCC2 ZINC000414806822 380419863 /nfs/dbraw/zinc/41/98/63/380419863.db2.gz NLHXVXXQJMNUHY-UHFFFAOYSA-N 2 2 287.451 3.057 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414809513 380422484 /nfs/dbraw/zinc/42/24/84/380422484.db2.gz GTSAITGGTRZUSS-GFCCVEGCSA-N 2 2 292.320 3.452 20 0 CGADLP Cc1ccc(CCCNc2ccc3c(c2)[nH+]cn3C)c[nH+]1 ZINC000354561901 380485738 /nfs/dbraw/zinc/48/57/38/380485738.db2.gz FUHUVVIKWLIKHQ-UHFFFAOYSA-N 2 2 280.375 3.321 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414930617 380493109 /nfs/dbraw/zinc/49/31/09/380493109.db2.gz PAXJRPHQUSTKPT-HZMBPMFUSA-N 2 2 286.341 3.101 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000414929712 380494039 /nfs/dbraw/zinc/49/40/39/380494039.db2.gz OYIUXAZBRVSNOM-CQSZACIVSA-N 2 2 298.377 3.156 20 0 CGADLP CC1([NH2+]Cc2csc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000414938247 380497356 /nfs/dbraw/zinc/49/73/56/380497356.db2.gz IEFBVUQLRXEREC-UHFFFAOYSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc(CCC[N@@H+](C)CCc2ccccc2O)c[nH+]1 ZINC000354638454 380509565 /nfs/dbraw/zinc/50/95/65/380509565.db2.gz QILJOFWSALZFEY-UHFFFAOYSA-N 2 2 284.403 3.203 20 0 CGADLP Cc1ccc(CCC[N@H+](C)CCc2ccccc2O)c[nH+]1 ZINC000354638454 380509566 /nfs/dbraw/zinc/50/95/66/380509566.db2.gz QILJOFWSALZFEY-UHFFFAOYSA-N 2 2 284.403 3.203 20 0 CGADLP Fc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000414861928 380461318 /nfs/dbraw/zinc/46/13/18/380461318.db2.gz GOTXEYTYJPFVPO-GFCCVEGCSA-N 2 2 290.407 3.396 20 0 CGADLP Cc1ccc(CCC[NH2+]CCc2c[nH]c3ncccc23)c[nH+]1 ZINC000354516208 380465940 /nfs/dbraw/zinc/46/59/40/380465940.db2.gz URHZBPHMSMZTOO-UHFFFAOYSA-N 2 2 294.402 3.031 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC000644644822 380469520 /nfs/dbraw/zinc/46/95/20/380469520.db2.gz HCNKEGFSLCGAJJ-HZPDHXFCSA-N 2 2 298.858 3.083 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC000644644822 380469529 /nfs/dbraw/zinc/46/95/29/380469529.db2.gz HCNKEGFSLCGAJJ-HZPDHXFCSA-N 2 2 298.858 3.083 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c[nH+]1 ZINC000354670110 380524023 /nfs/dbraw/zinc/52/40/23/380524023.db2.gz UYIDLKSKCATORT-QZTJIDSGSA-N 2 2 288.435 3.117 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302135 380587290 /nfs/dbraw/zinc/58/72/90/380587290.db2.gz CAZLCELAFAXCFT-IVCRCZCHSA-N 2 2 290.476 3.312 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302135 380587293 /nfs/dbraw/zinc/58/72/93/380587293.db2.gz CAZLCELAFAXCFT-IVCRCZCHSA-N 2 2 290.476 3.312 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCSCC[C@@H]2C)c[nH+]1 ZINC000355132036 380590519 /nfs/dbraw/zinc/59/05/19/380590519.db2.gz LROSTNVLMICGIO-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCSCC[C@@H]2C)c[nH+]1 ZINC000355132036 380590524 /nfs/dbraw/zinc/59/05/24/380590524.db2.gz LROSTNVLMICGIO-AWEZNQCLSA-N 2 2 264.438 3.150 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322070 380592664 /nfs/dbraw/zinc/59/26/64/380592664.db2.gz MLYYULMZJFNUGW-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322070 380592668 /nfs/dbraw/zinc/59/26/68/380592668.db2.gz MLYYULMZJFNUGW-LJISPDSOSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1C ZINC000355135110 380592607 /nfs/dbraw/zinc/59/26/07/380592607.db2.gz NMFGIDCDGKMYOF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)ccc1C ZINC000355135110 380592613 /nfs/dbraw/zinc/59/26/13/380592613.db2.gz NMFGIDCDGKMYOF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1C ZINC000355135110 380592618 /nfs/dbraw/zinc/59/26/18/380592618.db2.gz NMFGIDCDGKMYOF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1C ZINC000355135110 380592623 /nfs/dbraw/zinc/59/26/23/380592623.db2.gz NMFGIDCDGKMYOF-MSOLQXFVSA-N 2 2 272.436 3.362 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322069 380593391 /nfs/dbraw/zinc/59/33/91/380593391.db2.gz MLYYULMZJFNUGW-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417322069 380593392 /nfs/dbraw/zinc/59/33/92/380593392.db2.gz MLYYULMZJFNUGW-CBBWQLFWSA-N 2 2 278.465 3.314 20 0 CGADLP FC(F)C1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355154844 380600915 /nfs/dbraw/zinc/60/09/15/380600915.db2.gz PHVZSSRCCWCJLV-OAHLLOKOSA-N 2 2 294.389 3.286 20 0 CGADLP FC(F)C1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355154844 380600920 /nfs/dbraw/zinc/60/09/20/380600920.db2.gz PHVZSSRCCWCJLV-OAHLLOKOSA-N 2 2 294.389 3.286 20 0 CGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417351421 380603595 /nfs/dbraw/zinc/60/35/95/380603595.db2.gz CNEMPCLFEINRNQ-MRXNPFEDSA-N 2 2 278.415 3.077 20 0 CGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(C2CC2)c1 ZINC000417361386 380610066 /nfs/dbraw/zinc/61/00/66/380610066.db2.gz YVIXOFJWMQABOH-CYBMUJFWSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174557 380611055 /nfs/dbraw/zinc/61/10/55/380611055.db2.gz ZQWWFDOJAXJZHE-UKRRQHHQSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174557 380611059 /nfs/dbraw/zinc/61/10/59/380611059.db2.gz ZQWWFDOJAXJZHE-UKRRQHHQSA-N 2 2 284.513 3.228 20 0 CGADLP CCn1c[nH+]cc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000417712691 380670627 /nfs/dbraw/zinc/67/06/27/380670627.db2.gz QWWYGPAISBVIGS-UHFFFAOYSA-N 2 2 273.380 3.441 20 0 CGADLP CCn1c[nH+]cc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000417712691 380670633 /nfs/dbraw/zinc/67/06/33/380670633.db2.gz QWWYGPAISBVIGS-UHFFFAOYSA-N 2 2 273.380 3.441 20 0 CGADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000645406929 380673676 /nfs/dbraw/zinc/67/36/76/380673676.db2.gz CTHYCRREGHKQGT-JKSUJKDBSA-N 2 2 262.441 3.173 20 0 CGADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000645406929 380673678 /nfs/dbraw/zinc/67/36/78/380673678.db2.gz CTHYCRREGHKQGT-JKSUJKDBSA-N 2 2 262.441 3.173 20 0 CGADLP C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000645852088 380752141 /nfs/dbraw/zinc/75/21/41/380752141.db2.gz JAINDRGFXJDNOS-CVEARBPZSA-N 2 2 299.418 3.340 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000356840698 380896406 /nfs/dbraw/zinc/89/64/06/380896406.db2.gz JRZKQXRDSFRUPD-UHFFFAOYSA-N 2 2 290.373 3.181 20 0 CGADLP Cn1cc[nH+]c1CNc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000357011455 380987352 /nfs/dbraw/zinc/98/73/52/380987352.db2.gz ODWYYSUZWQRMIG-UHFFFAOYSA-N 2 2 295.390 3.108 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000358111016 381292091 /nfs/dbraw/zinc/29/20/91/381292091.db2.gz NPNDDMUZEZLVDL-QISBLDNZSA-N 2 2 270.420 3.307 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000358111016 381292094 /nfs/dbraw/zinc/29/20/94/381292094.db2.gz NPNDDMUZEZLVDL-QISBLDNZSA-N 2 2 270.420 3.307 20 0 CGADLP Cc1c[nH+]ccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000359578630 381355218 /nfs/dbraw/zinc/35/52/18/381355218.db2.gz HWTHWXBDWMMYGW-UHFFFAOYSA-N 2 2 290.370 3.138 20 0 CGADLP Cc1nc(N(CC[NH+]2CCCCCC2)C2CCC2)cc[nH+]1 ZINC000359981156 381398560 /nfs/dbraw/zinc/39/85/60/381398560.db2.gz LRYLHOXHZUHOCP-UHFFFAOYSA-N 2 2 288.439 3.020 20 0 CGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000360039850 381421551 /nfs/dbraw/zinc/42/15/51/381421551.db2.gz ROSALIDMDBANQR-CZUORRHYSA-N 2 2 273.380 3.021 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]1 ZINC000334868002 207215593 /nfs/dbraw/zinc/21/55/93/207215593.db2.gz HQXYJQGHCADGHZ-APPZFPTMSA-N 2 2 279.236 3.285 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000361347136 381711535 /nfs/dbraw/zinc/71/15/35/381711535.db2.gz SJIIZZGZDGEQFS-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000361347136 381711538 /nfs/dbraw/zinc/71/15/38/381711538.db2.gz SJIIZZGZDGEQFS-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361483998 381768393 /nfs/dbraw/zinc/76/83/93/381768393.db2.gz HDBRYYOUQZRSGU-KBPBESRZSA-N 2 2 257.381 3.397 20 0 CGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000361494883 381774331 /nfs/dbraw/zinc/77/43/31/381774331.db2.gz ARLMTNPZVDGAIH-INIZCTEOSA-N 2 2 257.381 3.397 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000425333772 295642516 /nfs/dbraw/zinc/64/25/16/295642516.db2.gz CLJMQHXRFHSKRZ-IXDOHACOSA-N 2 2 290.476 3.307 20 0 CGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000227675227 542296593 /nfs/dbraw/zinc/29/65/93/542296593.db2.gz UFKCAONWYZVFGB-HIFRSBDPSA-N 2 2 269.392 3.473 20 0 CGADLP Fc1ccc2cc(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)[nH]c2c1 ZINC000362929437 382154308 /nfs/dbraw/zinc/15/43/08/382154308.db2.gz DTARHSLXDQGFAB-ZDUSSCGKSA-N 2 2 298.365 3.171 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000235524100 542313010 /nfs/dbraw/zinc/31/30/10/542313010.db2.gz MQBMFVFCBQQCFL-FZMZJTMJSA-N 2 2 297.240 3.242 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccccc31)CCC2 ZINC000366212666 382304321 /nfs/dbraw/zinc/30/43/21/382304321.db2.gz WCPBEMUHQDPJOO-WBVHZDCISA-N 2 2 281.403 3.346 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000237540320 542318394 /nfs/dbraw/zinc/31/83/94/542318394.db2.gz BUVZKQIVPLXNJN-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000237540320 542318396 /nfs/dbraw/zinc/31/83/96/542318396.db2.gz BUVZKQIVPLXNJN-GOEBONIOSA-N 2 2 260.425 3.285 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCCc3ccccc31)C2 ZINC000367997129 382362919 /nfs/dbraw/zinc/36/29/19/382362919.db2.gz PNTRJMMGLNRHSZ-HOCLYGCPSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000367997129 382362924 /nfs/dbraw/zinc/36/29/24/382362924.db2.gz PNTRJMMGLNRHSZ-HOCLYGCPSA-N 2 2 281.403 3.324 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101437 382364500 /nfs/dbraw/zinc/36/45/00/382364500.db2.gz KFXHQCAXWZDPSK-ZFWWWQNUSA-N 2 2 297.402 3.079 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101437 382364508 /nfs/dbraw/zinc/36/45/08/382364508.db2.gz KFXHQCAXWZDPSK-ZFWWWQNUSA-N 2 2 297.402 3.079 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000368098909 382365507 /nfs/dbraw/zinc/36/55/07/382365507.db2.gz CWVQNCUEZOFKPN-SJCJKPOMSA-N 2 2 281.403 3.279 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000368098909 382365508 /nfs/dbraw/zinc/36/55/08/382365508.db2.gz CWVQNCUEZOFKPN-SJCJKPOMSA-N 2 2 281.403 3.279 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250463538 542343213 /nfs/dbraw/zinc/34/32/13/542343213.db2.gz CHLSAJOHOYPGON-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cs1 ZINC000250463538 542343217 /nfs/dbraw/zinc/34/32/17/542343217.db2.gz CHLSAJOHOYPGON-DZGCQCFKSA-N 2 2 293.480 3.231 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000258554702 542354681 /nfs/dbraw/zinc/35/46/81/542354681.db2.gz JMEVNBVQZFSBHJ-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000258554702 542354684 /nfs/dbraw/zinc/35/46/84/542354684.db2.gz JMEVNBVQZFSBHJ-KRWDZBQOSA-N 2 2 260.425 3.266 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423460038 532974608 /nfs/dbraw/zinc/97/46/08/532974608.db2.gz ILTHUBUOTCFLPQ-UTUOFQBUSA-N 2 2 275.421 3.196 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC000411966050 533018047 /nfs/dbraw/zinc/01/80/47/533018047.db2.gz GJAZZERZBPRVBX-XIRDDKMYSA-N 2 2 282.472 3.043 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000411966050 533018051 /nfs/dbraw/zinc/01/80/51/533018051.db2.gz GJAZZERZBPRVBX-XIRDDKMYSA-N 2 2 282.472 3.043 20 0 CGADLP CC[C@@](C)([NH2+]CCc1cc[nH+]cc1C)c1nccs1 ZINC000575284168 322480102 /nfs/dbraw/zinc/48/01/02/322480102.db2.gz DNACATFYMMFJJL-OAHLLOKOSA-N 2 2 275.421 3.304 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662842 533038863 /nfs/dbraw/zinc/03/88/63/533038863.db2.gz ZVISSVGJPCODMI-FZMZJTMJSA-N 2 2 286.341 3.103 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000414662842 533038867 /nfs/dbraw/zinc/03/88/67/533038867.db2.gz ZVISSVGJPCODMI-FZMZJTMJSA-N 2 2 286.341 3.103 20 0 CGADLP c1cncc(C2=CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000289382883 197321260 /nfs/dbraw/zinc/32/12/60/197321260.db2.gz QFAYORUOESTCEC-UHFFFAOYSA-N 2 2 285.435 3.047 20 0 CGADLP c1cncc(C2=CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000289382883 197321262 /nfs/dbraw/zinc/32/12/62/197321262.db2.gz QFAYORUOESTCEC-UHFFFAOYSA-N 2 2 285.435 3.047 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000289360826 197311410 /nfs/dbraw/zinc/31/14/10/197311410.db2.gz ZEFOHWPLSNXXOX-XJKSGUPXSA-N 2 2 255.365 3.111 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000289218074 197266146 /nfs/dbraw/zinc/26/61/46/197266146.db2.gz XEUTVICQXSRPNR-UHFFFAOYSA-N 2 2 280.415 3.422 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1Cc2ccccc2C1 ZINC000289218074 197266148 /nfs/dbraw/zinc/26/61/48/197266148.db2.gz XEUTVICQXSRPNR-UHFFFAOYSA-N 2 2 280.415 3.422 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000289238257 197271602 /nfs/dbraw/zinc/27/16/02/197271602.db2.gz ZHXRVSOOCMDZEL-UHFFFAOYSA-N 3 2 289.467 3.127 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000289238257 197271603 /nfs/dbraw/zinc/27/16/03/197271603.db2.gz ZHXRVSOOCMDZEL-UHFFFAOYSA-N 3 2 289.467 3.127 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC2CC2)C1 ZINC000289011061 197212144 /nfs/dbraw/zinc/21/21/44/197212144.db2.gz ADAAEKMBDMVZLL-OAHLLOKOSA-N 2 2 288.435 3.001 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC2CC2)C1 ZINC000289011061 197212146 /nfs/dbraw/zinc/21/21/46/197212146.db2.gz ADAAEKMBDMVZLL-OAHLLOKOSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000289011061 197212148 /nfs/dbraw/zinc/21/21/48/197212148.db2.gz ADAAEKMBDMVZLL-OAHLLOKOSA-N 2 2 288.435 3.001 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000289011061 197212150 /nfs/dbraw/zinc/21/21/50/197212150.db2.gz ADAAEKMBDMVZLL-OAHLLOKOSA-N 2 2 288.435 3.001 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000372745689 285200270 /nfs/dbraw/zinc/20/02/70/285200270.db2.gz BFLBYXJOHCFLCD-BSDSXHPESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000372745689 285200272 /nfs/dbraw/zinc/20/02/72/285200272.db2.gz BFLBYXJOHCFLCD-BSDSXHPESA-N 2 2 294.483 3.046 20 0 CGADLP c1cn(CCC[NH2+]Cc2ccc(C3CCC3)cc2)c[nH+]1 ZINC000293974411 542404137 /nfs/dbraw/zinc/40/41/37/542404137.db2.gz DFPICTJJLYCEGF-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP CCc1ccc2[nH+]ccc(NCc3c[nH+]cn3C)c2c1 ZINC000295658639 542406914 /nfs/dbraw/zinc/40/69/14/542406914.db2.gz HOEUZZVCGNOTLN-UHFFFAOYSA-N 2 2 266.348 3.143 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192605986 285262047 /nfs/dbraw/zinc/26/20/47/285262047.db2.gz VBOVQGAGDOCHMP-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192605986 285262048 /nfs/dbraw/zinc/26/20/48/285262048.db2.gz VBOVQGAGDOCHMP-RHSMWYFYSA-N 2 2 273.424 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000156552899 285288097 /nfs/dbraw/zinc/28/80/97/285288097.db2.gz QWTOZDIFVRBCKH-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000156552899 285288098 /nfs/dbraw/zinc/28/80/98/285288098.db2.gz QWTOZDIFVRBCKH-WMLDXEAASA-N 2 2 258.409 3.056 20 0 CGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348089259 542513997 /nfs/dbraw/zinc/51/39/97/542513997.db2.gz SNNDTLVAOKANBL-OKZBNKHCSA-N 2 2 270.420 3.039 20 0 CGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000348089259 542514001 /nfs/dbraw/zinc/51/40/01/542514001.db2.gz SNNDTLVAOKANBL-OKZBNKHCSA-N 2 2 270.420 3.039 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000349634431 542526367 /nfs/dbraw/zinc/52/63/67/542526367.db2.gz VQHOQCFSHXVUFW-YJBOKZPZSA-N 2 2 283.419 3.171 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353439781 542557342 /nfs/dbraw/zinc/55/73/42/542557342.db2.gz ISWHQMYDSKSPDP-ROUUACIJSA-N 2 2 287.451 3.070 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489201 542579575 /nfs/dbraw/zinc/57/95/75/542579575.db2.gz RDOMLAPWWFGCTR-WMLDXEAASA-N 2 2 296.418 3.341 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359489201 542579581 /nfs/dbraw/zinc/57/95/81/542579581.db2.gz RDOMLAPWWFGCTR-WMLDXEAASA-N 2 2 296.418 3.341 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccc1N(C)C ZINC000423231689 533412248 /nfs/dbraw/zinc/41/22/48/533412248.db2.gz AZZLCGULHPMQPV-RHSMWYFYSA-N 2 2 283.419 3.103 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2c(Cl)cccc21)[C@H](C)[NH3+] ZINC000423444778 533526302 /nfs/dbraw/zinc/52/63/02/533526302.db2.gz MCCCYLCTDFWLHO-YGOYTEALSA-N 2 2 270.829 3.202 20 0 CGADLP c1c(CC[NH2+][C@H]2CCCC23CCC3)[nH+]c2n1CCCC2 ZINC000449071955 285417828 /nfs/dbraw/zinc/41/78/28/285417828.db2.gz CRWODQFTDCEIJS-HNNXBMFYSA-N 2 2 273.424 3.074 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc2cc(Br)ccc2o1 ZINC000423357804 533498319 /nfs/dbraw/zinc/49/83/19/533498319.db2.gz ATZWJCBPLQVZFR-DTWKUNHWSA-N 2 2 297.196 3.193 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc2ccccc2o1 ZINC000423542999 533518058 /nfs/dbraw/zinc/51/80/58/533518058.db2.gz BMZILQLXWVXIQK-TZMCWYRMSA-N 2 2 258.365 3.226 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@@H](c2ccccc2)C1 ZINC000155758901 533648938 /nfs/dbraw/zinc/64/89/38/533648938.db2.gz KFXJRWMCIJOJBM-RYQLBKOJSA-N 2 2 283.419 3.445 20 0 CGADLP COc1cc(C)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000449128359 533668131 /nfs/dbraw/zinc/66/81/31/533668131.db2.gz YEQSMYZERHIQTE-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234247 542606446 /nfs/dbraw/zinc/60/64/46/542606446.db2.gz JHZOZGHZWGOAHV-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000389234247 542606449 /nfs/dbraw/zinc/60/64/49/542606449.db2.gz JHZOZGHZWGOAHV-IRXDYDNUSA-N 2 2 276.399 3.351 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000381873477 542599355 /nfs/dbraw/zinc/59/93/55/542599355.db2.gz MEYZCOXUCNOGRV-VNQPRFMTSA-N 2 2 294.389 3.427 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000381873477 542599358 /nfs/dbraw/zinc/59/93/58/542599358.db2.gz MEYZCOXUCNOGRV-VNQPRFMTSA-N 2 2 294.389 3.427 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389341196 542608903 /nfs/dbraw/zinc/60/89/03/542608903.db2.gz JENNBIGAMPOFME-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000389341196 542608905 /nfs/dbraw/zinc/60/89/05/542608905.db2.gz JENNBIGAMPOFME-NWDGAFQWSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1csc(Cl)c1 ZINC000191212142 130203490 /nfs/dbraw/zinc/20/34/90/130203490.db2.gz MWLSNYMHPOQXEN-KOLCDFICSA-N 2 2 258.818 3.146 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1csc(Cl)c1 ZINC000191212142 130203492 /nfs/dbraw/zinc/20/34/92/130203492.db2.gz MWLSNYMHPOQXEN-KOLCDFICSA-N 2 2 258.818 3.146 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000191216739 130203252 /nfs/dbraw/zinc/20/32/52/130203252.db2.gz ALFNWEUTFHBGGY-JKSUJKDBSA-N 2 2 296.480 3.026 20 0 CGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031995060 391964935 /nfs/dbraw/zinc/96/49/35/391964935.db2.gz SSWDGIGWZKLFQY-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031995060 391964943 /nfs/dbraw/zinc/96/49/43/391964943.db2.gz SSWDGIGWZKLFQY-CQSZACIVSA-N 2 2 285.218 3.179 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000054110362 392088885 /nfs/dbraw/zinc/08/88/85/392088885.db2.gz QFURUXSUYXJEED-OAHLLOKOSA-N 2 2 262.441 3.284 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000054110362 392088889 /nfs/dbraw/zinc/08/88/89/392088889.db2.gz QFURUXSUYXJEED-OAHLLOKOSA-N 2 2 262.441 3.284 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423054032 542647104 /nfs/dbraw/zinc/64/71/04/542647104.db2.gz UBIFDQHCCFNDJP-RISCZKNCSA-N 2 2 268.351 3.244 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000361762567 392316566 /nfs/dbraw/zinc/31/65/66/392316566.db2.gz BVXJVTYGYWUMGQ-MDZLAQPJSA-N 2 2 281.469 3.147 20 0 CGADLP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000361762567 392316569 /nfs/dbraw/zinc/31/65/69/392316569.db2.gz BVXJVTYGYWUMGQ-MDZLAQPJSA-N 2 2 281.469 3.147 20 0 CGADLP COCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC=CCC1 ZINC000361676985 392292768 /nfs/dbraw/zinc/29/27/68/392292768.db2.gz CFVZYGQBEAEDGR-MRXNPFEDSA-N 2 2 299.418 3.139 20 0 CGADLP COCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC=CCC1 ZINC000361676985 392292773 /nfs/dbraw/zinc/29/27/73/392292773.db2.gz CFVZYGQBEAEDGR-MRXNPFEDSA-N 2 2 299.418 3.139 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C)c1 ZINC000285804586 392332029 /nfs/dbraw/zinc/33/20/29/392332029.db2.gz VLBRGYOHLIKARG-GOEBONIOSA-N 2 2 257.381 3.321 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CC2 ZINC000361969806 392379477 /nfs/dbraw/zinc/37/94/77/392379477.db2.gz COUIWDAXMFRVLE-IRXDYDNUSA-N 2 2 290.476 3.009 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000361980278 392380924 /nfs/dbraw/zinc/38/09/24/392380924.db2.gz JEJFJGWOUOITJH-XFBWCDHKSA-N 2 2 282.378 3.346 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000361980275 392380996 /nfs/dbraw/zinc/38/09/96/392380996.db2.gz JEJFJGWOUOITJH-KNXALSJPSA-N 2 2 282.378 3.346 20 0 CGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000152048480 392495128 /nfs/dbraw/zinc/49/51/28/392495128.db2.gz RGIYOAXCCFTOSG-PBHICJAKSA-N 2 2 276.424 3.412 20 0 CGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cncs1 ZINC000152232854 392500465 /nfs/dbraw/zinc/50/04/65/392500465.db2.gz ZQWBUXPAMQCNRT-LBPRGKRZSA-N 2 2 284.388 3.180 20 0 CGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000163298481 392603939 /nfs/dbraw/zinc/60/39/39/392603939.db2.gz BJKOOSJNNMDJMD-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000163298481 392603943 /nfs/dbraw/zinc/60/39/43/392603943.db2.gz BJKOOSJNNMDJMD-IAGOWNOFSA-N 2 2 290.451 3.065 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000156358101 392546598 /nfs/dbraw/zinc/54/65/98/392546598.db2.gz YUONBWBGMBEBTJ-OAHLLOKOSA-N 2 2 276.449 3.296 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330153 392673938 /nfs/dbraw/zinc/67/39/38/392673938.db2.gz DKUNCIXBUCIHEQ-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647330153 392673946 /nfs/dbraw/zinc/67/39/46/392673946.db2.gz DKUNCIXBUCIHEQ-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000647554085 392767154 /nfs/dbraw/zinc/76/71/54/392767154.db2.gz QOOPAMCOTGMZEM-CQSZACIVSA-N 2 2 264.438 3.075 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccsc1 ZINC000375323039 392767429 /nfs/dbraw/zinc/76/74/29/392767429.db2.gz XEIPVIZSHUGOQS-NSHDSACASA-N 2 2 261.394 3.132 20 0 CGADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647497739 392740976 /nfs/dbraw/zinc/74/09/76/392740976.db2.gz SYIZRRAPZNYAQE-DOMZBBRYSA-N 2 2 296.842 3.298 20 0 CGADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647497739 392740977 /nfs/dbraw/zinc/74/09/77/392740977.db2.gz SYIZRRAPZNYAQE-DOMZBBRYSA-N 2 2 296.842 3.298 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)c1 ZINC000510471583 392800004 /nfs/dbraw/zinc/80/00/04/392800004.db2.gz JGVSFLFZZKNWOY-UHFFFAOYSA-N 2 2 295.430 3.329 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588891 392841840 /nfs/dbraw/zinc/84/18/40/392841840.db2.gz SVBAQFPOAZSHEJ-JXFKEZNVSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511588891 392841850 /nfs/dbraw/zinc/84/18/50/392841850.db2.gz SVBAQFPOAZSHEJ-JXFKEZNVSA-N 2 2 294.442 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000510693312 392810005 /nfs/dbraw/zinc/81/00/05/392810005.db2.gz AHSKOYMWFJKXIP-SJKOYZFVSA-N 2 2 296.405 3.216 20 0 CGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000510750312 392812806 /nfs/dbraw/zinc/81/28/06/392812806.db2.gz JZLWHABSUKZYTD-CVEARBPZSA-N 2 2 270.436 3.370 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377398709 392884455 /nfs/dbraw/zinc/88/44/55/392884455.db2.gz JWKMPWSHPYDFFR-ZNMIVQPWSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377398709 392884460 /nfs/dbraw/zinc/88/44/60/392884460.db2.gz JWKMPWSHPYDFFR-ZNMIVQPWSA-N 2 2 275.440 3.462 20 0 CGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC000380605769 392904096 /nfs/dbraw/zinc/90/40/96/392904096.db2.gz FWRAPTKCADNGCI-ZIAGYGMSSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC000380605769 392904105 /nfs/dbraw/zinc/90/41/05/392904105.db2.gz FWRAPTKCADNGCI-ZIAGYGMSSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000380605769 392904112 /nfs/dbraw/zinc/90/41/12/392904112.db2.gz FWRAPTKCADNGCI-ZIAGYGMSSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000380605769 392904118 /nfs/dbraw/zinc/90/41/18/392904118.db2.gz FWRAPTKCADNGCI-ZIAGYGMSSA-N 2 2 298.858 3.034 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000382039489 392916502 /nfs/dbraw/zinc/91/65/02/392916502.db2.gz DDTQUSQTGZBFCF-SLTXQBBLSA-N 2 2 261.413 3.078 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1Cl ZINC000336564548 392862343 /nfs/dbraw/zinc/86/23/43/392862343.db2.gz KQGHJZJZFWTQKB-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1Cl ZINC000336564548 392862349 /nfs/dbraw/zinc/86/23/49/392862349.db2.gz KQGHJZJZFWTQKB-GXSJLCMTSA-N 2 2 293.773 3.410 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@@H+]1CCCC[C@H]1C ZINC000337407179 392883606 /nfs/dbraw/zinc/88/36/06/392883606.db2.gz UUJANRRUBUECBD-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)[N@H+]1CCCC[C@H]1C ZINC000337407179 392883609 /nfs/dbraw/zinc/88/36/09/392883609.db2.gz UUJANRRUBUECBD-IXDOHACOSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)[NH+]1C ZINC000338786852 392928488 /nfs/dbraw/zinc/92/84/88/392928488.db2.gz QEFGOFFLWZSBRE-RYUDHWBXSA-N 2 2 289.810 3.417 20 0 CGADLP C[C@@H](CC[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000393532877 392935596 /nfs/dbraw/zinc/93/55/96/392935596.db2.gz DBVIJKYOJBZKDS-HNNXBMFYSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948731 542721368 /nfs/dbraw/zinc/72/13/68/542721368.db2.gz CHHXEHOUUNPMPD-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948731 542721371 /nfs/dbraw/zinc/72/13/71/542721371.db2.gz CHHXEHOUUNPMPD-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948731 542721374 /nfs/dbraw/zinc/72/13/74/542721374.db2.gz CHHXEHOUUNPMPD-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948731 542721376 /nfs/dbraw/zinc/72/13/76/542721376.db2.gz CHHXEHOUUNPMPD-TZMCWYRMSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948730 542722099 /nfs/dbraw/zinc/72/20/99/542722099.db2.gz CHHXEHOUUNPMPD-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948730 542722103 /nfs/dbraw/zinc/72/21/03/542722103.db2.gz CHHXEHOUUNPMPD-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948730 542722107 /nfs/dbraw/zinc/72/21/07/542722107.db2.gz CHHXEHOUUNPMPD-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2scnc2C2CC2)C[C@H]1C ZINC000494948730 542722111 /nfs/dbraw/zinc/72/21/11/542722111.db2.gz CHHXEHOUUNPMPD-OCCSQVGLSA-N 2 2 293.480 3.325 20 0 CGADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514083110 542734218 /nfs/dbraw/zinc/73/42/18/542734218.db2.gz JSLXPKCDNHFCGT-ZWKOTPCHSA-N 2 2 283.419 3.456 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000460952566 392962177 /nfs/dbraw/zinc/96/21/77/392962177.db2.gz PTYAJSDZLAQPLC-MAUKXSAKSA-N 2 2 295.430 3.382 20 0 CGADLP Cc1ccc2c(C)cc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)[nH+]c2c1 ZINC000460952566 392962186 /nfs/dbraw/zinc/96/21/86/392962186.db2.gz PTYAJSDZLAQPLC-MAUKXSAKSA-N 2 2 295.430 3.382 20 0 CGADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000545856247 393010211 /nfs/dbraw/zinc/01/02/11/393010211.db2.gz PZXJGRWHJPLQHL-UHFFFAOYSA-N 2 2 298.352 3.447 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000545856247 393010216 /nfs/dbraw/zinc/01/02/16/393010216.db2.gz PZXJGRWHJPLQHL-UHFFFAOYSA-N 2 2 298.352 3.447 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000414986446 393081422 /nfs/dbraw/zinc/08/14/22/393081422.db2.gz HHLZYOKVARDJNM-LZWOXQAQSA-N 2 2 282.378 3.069 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000346819165 393096534 /nfs/dbraw/zinc/09/65/34/393096534.db2.gz HISWSGFFJPCRON-CYBMUJFWSA-N 2 2 297.240 3.323 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000346819165 393096544 /nfs/dbraw/zinc/09/65/44/393096544.db2.gz HISWSGFFJPCRON-CYBMUJFWSA-N 2 2 297.240 3.323 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000467416887 393098489 /nfs/dbraw/zinc/09/84/89/393098489.db2.gz CUDJWPOQZQZKSR-DVOMOZLQSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000467416887 393098493 /nfs/dbraw/zinc/09/84/93/393098493.db2.gz CUDJWPOQZQZKSR-DVOMOZLQSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000467442049 393100353 /nfs/dbraw/zinc/10/03/53/393100353.db2.gz CUDJWPOQZQZKSR-IOASZLSFSA-N 2 2 278.465 3.399 20 0 CGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000467442049 393100355 /nfs/dbraw/zinc/10/03/55/393100355.db2.gz CUDJWPOQZQZKSR-IOASZLSFSA-N 2 2 278.465 3.399 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1C ZINC000414160244 393040478 /nfs/dbraw/zinc/04/04/78/393040478.db2.gz ZJNAGAHPFVBQOT-BVUBDWEXSA-N 2 2 250.430 3.028 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1C ZINC000414160244 393040485 /nfs/dbraw/zinc/04/04/85/393040485.db2.gz ZJNAGAHPFVBQOT-BVUBDWEXSA-N 2 2 250.430 3.028 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CCC2 ZINC000344516802 393046631 /nfs/dbraw/zinc/04/66/31/393046631.db2.gz PGBHTFWEMYWGEV-SNPRPXQTSA-N 2 2 261.413 3.237 20 0 CGADLP CCC1CCC([NH2+]CC[N@H+]2CC=C(C)CC2)CC1 ZINC000546563188 393057359 /nfs/dbraw/zinc/05/73/59/393057359.db2.gz DGJBXOUAENGBQD-UHFFFAOYSA-N 2 2 250.430 3.197 20 0 CGADLP CCC1CCC([NH2+]CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000546563188 393057364 /nfs/dbraw/zinc/05/73/64/393057364.db2.gz DGJBXOUAENGBQD-UHFFFAOYSA-N 2 2 250.430 3.197 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000414954795 393062612 /nfs/dbraw/zinc/06/26/12/393062612.db2.gz KZWDMZCGITVJAT-OAHLLOKOSA-N 2 2 298.430 3.450 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414962999 393069031 /nfs/dbraw/zinc/06/90/31/393069031.db2.gz XBOHPHMDSYZUES-RNCFNFMXSA-N 2 2 273.207 3.224 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000414988354 393080476 /nfs/dbraw/zinc/08/04/76/393080476.db2.gz ZRZDSWKEANZQJG-QGZVFWFLSA-N 2 2 284.403 3.189 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000462725220 296485439 /nfs/dbraw/zinc/48/54/39/296485439.db2.gz ARVIKKVXSRZQFR-QAPCUYQASA-N 2 2 286.463 3.254 20 0 CGADLP Fc1cc(F)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415051813 393115532 /nfs/dbraw/zinc/11/55/32/393115532.db2.gz MMDUESKOKYNDGD-ZBEGNZNMSA-N 2 2 298.352 3.068 20 0 CGADLP Fc1cc(F)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415051813 393115537 /nfs/dbraw/zinc/11/55/37/393115537.db2.gz MMDUESKOKYNDGD-ZBEGNZNMSA-N 2 2 298.352 3.068 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415054323 393118173 /nfs/dbraw/zinc/11/81/73/393118173.db2.gz NGXREXQORWYZJX-AWEZNQCLSA-N 2 2 264.344 3.035 20 0 CGADLP CC[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000648589683 393119165 /nfs/dbraw/zinc/11/91/65/393119165.db2.gz CBYCSFHEXWYYMN-NXHRZFHOSA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000648589683 393119170 /nfs/dbraw/zinc/11/91/70/393119170.db2.gz CBYCSFHEXWYYMN-NXHRZFHOSA-N 2 2 290.451 3.054 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000415059239 393119686 /nfs/dbraw/zinc/11/96/86/393119686.db2.gz XUVYQPGROMFESB-GFCCVEGCSA-N 2 2 292.320 3.308 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251811651 393120058 /nfs/dbraw/zinc/12/00/58/393120058.db2.gz OMUDYCPMGZAUMQ-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000251811651 393120062 /nfs/dbraw/zinc/12/00/62/393120062.db2.gz OMUDYCPMGZAUMQ-TVQRCGJNSA-N 2 2 290.304 3.014 20 0 CGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000415062117 393122343 /nfs/dbraw/zinc/12/23/43/393122343.db2.gz ZRSZLXZPHUAEHM-NSHDSACASA-N 2 2 275.223 3.456 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(COC)c1 ZINC000415064478 393124105 /nfs/dbraw/zinc/12/41/05/393124105.db2.gz KTAXFKGDPOBSAK-IBGZPJMESA-N 2 2 298.430 3.185 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000415103963 393147088 /nfs/dbraw/zinc/14/70/88/393147088.db2.gz DHOGQWPJAOFFNH-DOPJRALCSA-N 2 2 299.393 3.365 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000415106190 393147283 /nfs/dbraw/zinc/14/72/83/393147283.db2.gz MVMMOXXCHMSRAA-KGLIPLIRSA-N 2 2 286.341 3.498 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415115123 393149106 /nfs/dbraw/zinc/14/91/06/393149106.db2.gz UIMJCAUKMLRFQV-KGLIPLIRSA-N 2 2 264.413 3.028 20 0 CGADLP [NH3+][C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1c1ccccc1F ZINC000415122523 393150645 /nfs/dbraw/zinc/15/06/45/393150645.db2.gz LSTGLMIKHNWFMK-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1ccccc1F ZINC000415122523 393150649 /nfs/dbraw/zinc/15/06/49/393150649.db2.gz LSTGLMIKHNWFMK-DOTOQJQBSA-N 2 2 276.399 3.133 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C(C)C)CC1 ZINC000468551318 393151496 /nfs/dbraw/zinc/15/14/96/393151496.db2.gz DCWZGCRMHYQGGG-DLBZAZTESA-N 2 2 296.499 3.290 20 0 CGADLP Cc1ccccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415125082 393153107 /nfs/dbraw/zinc/15/31/07/393153107.db2.gz NRGZITNMYBKMLV-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP Cc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415125082 393153111 /nfs/dbraw/zinc/15/31/11/393153111.db2.gz NRGZITNMYBKMLV-ZWKOTPCHSA-N 2 2 284.378 3.061 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000353251926 393217366 /nfs/dbraw/zinc/21/73/66/393217366.db2.gz RMIJEFXEZZLWKQ-SCRDCRAPSA-N 2 2 274.399 3.273 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)C1CCC(F)(F)CC1 ZINC000353251926 393217371 /nfs/dbraw/zinc/21/73/71/393217371.db2.gz RMIJEFXEZZLWKQ-SCRDCRAPSA-N 2 2 274.399 3.273 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000470161062 393226675 /nfs/dbraw/zinc/22/66/75/393226675.db2.gz LLBHPCJLEVRIEJ-OAHLLOKOSA-N 2 2 274.452 3.425 20 0 CGADLP CC(C)c1ccc(CC[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000470161062 393226685 /nfs/dbraw/zinc/22/66/85/393226685.db2.gz LLBHPCJLEVRIEJ-OAHLLOKOSA-N 2 2 274.452 3.425 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000353608241 393228041 /nfs/dbraw/zinc/22/80/41/393228041.db2.gz IARFRVWFOHPMRS-JSGCOSHPSA-N 2 2 287.794 3.198 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000353608241 393228046 /nfs/dbraw/zinc/22/80/46/393228046.db2.gz IARFRVWFOHPMRS-JSGCOSHPSA-N 2 2 287.794 3.198 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353627111 393228500 /nfs/dbraw/zinc/22/85/00/393228500.db2.gz KALBOXKBSOJIAV-XJKCOSOUSA-N 2 2 281.403 3.495 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353627111 393228505 /nfs/dbraw/zinc/22/85/05/393228505.db2.gz KALBOXKBSOJIAV-XJKCOSOUSA-N 2 2 281.403 3.495 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)c[nH+]1 ZINC000354353424 393243452 /nfs/dbraw/zinc/24/34/52/393243452.db2.gz UKVGIISXUVOQLB-CALCHBBNSA-N 3 2 289.467 3.175 20 0 CGADLP Cc1ccc(CCC[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)c[nH+]1 ZINC000354353424 393243461 /nfs/dbraw/zinc/24/34/61/393243461.db2.gz UKVGIISXUVOQLB-CALCHBBNSA-N 3 2 289.467 3.175 20 0 CGADLP Fc1cc(F)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271196940 393246412 /nfs/dbraw/zinc/24/64/12/393246412.db2.gz OXHCITFVVMWAAU-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000277037889 393304226 /nfs/dbraw/zinc/30/42/26/393304226.db2.gz BNXZTHWTLNQNFW-HNNXBMFYSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000277037889 393304228 /nfs/dbraw/zinc/30/42/28/393304228.db2.gz BNXZTHWTLNQNFW-HNNXBMFYSA-N 2 2 266.816 3.256 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC000277335486 393310421 /nfs/dbraw/zinc/31/04/21/393310421.db2.gz VUFDICLPVISGMZ-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC000277335486 393310426 /nfs/dbraw/zinc/31/04/26/393310426.db2.gz VUFDICLPVISGMZ-CYBMUJFWSA-N 2 2 289.448 3.212 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C1CC1 ZINC000649284343 393392679 /nfs/dbraw/zinc/39/26/79/393392679.db2.gz MPGKXZYJQOEGAL-HOTGVXAUSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C1CC1 ZINC000649284343 393392680 /nfs/dbraw/zinc/39/26/80/393392680.db2.gz MPGKXZYJQOEGAL-HOTGVXAUSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000649284343 393392682 /nfs/dbraw/zinc/39/26/82/393392682.db2.gz MPGKXZYJQOEGAL-HOTGVXAUSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C1CC1 ZINC000649284343 393392683 /nfs/dbraw/zinc/39/26/83/393392683.db2.gz MPGKXZYJQOEGAL-HOTGVXAUSA-N 2 2 250.430 3.124 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000417359366 393349070 /nfs/dbraw/zinc/34/90/70/393349070.db2.gz VQUVSKRBNSCIPK-HNNXBMFYSA-N 2 2 258.409 3.093 20 0 CGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCCCC1 ZINC000474897048 393355604 /nfs/dbraw/zinc/35/56/04/393355604.db2.gz ROAXGKJUWFMYAI-CQSZACIVSA-N 2 2 261.413 3.442 20 0 CGADLP CC[N@H+](CC[NH2+]CCc1ccc(F)cc1Cl)C1CC1 ZINC000356176593 393369429 /nfs/dbraw/zinc/36/94/29/393369429.db2.gz NTSVFTSUXIRYBD-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP CC[N@@H+](CC[NH2+]CCc1ccc(F)cc1Cl)C1CC1 ZINC000356176593 393369430 /nfs/dbraw/zinc/36/94/30/393369430.db2.gz NTSVFTSUXIRYBD-UHFFFAOYSA-N 2 2 284.806 3.096 20 0 CGADLP CSC1(C[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCC1 ZINC000356182654 393370963 /nfs/dbraw/zinc/37/09/63/393370963.db2.gz IRXLXARNRMDUED-OAHLLOKOSA-N 2 2 282.497 3.126 20 0 CGADLP CSC1(C[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000356182654 393370968 /nfs/dbraw/zinc/37/09/68/393370968.db2.gz IRXLXARNRMDUED-OAHLLOKOSA-N 2 2 282.497 3.126 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2csc(CCC(C)C)n2)CC[C@@H]1[NH3+] ZINC000649416638 393416514 /nfs/dbraw/zinc/41/65/14/393416514.db2.gz HBFJJUGROZNJOV-HIFRSBDPSA-N 2 2 295.496 3.291 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2csc(CCC(C)C)n2)CC[C@@H]1[NH3+] ZINC000649416638 393416522 /nfs/dbraw/zinc/41/65/22/393416522.db2.gz HBFJJUGROZNJOV-HIFRSBDPSA-N 2 2 295.496 3.291 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cncc(F)c3)cn21 ZINC000647263196 393420888 /nfs/dbraw/zinc/42/08/88/393420888.db2.gz VSJDIBKBZUYHRU-ZDUSSCGKSA-N 2 2 298.365 3.070 20 0 CGADLP Cc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1F ZINC000647263081 393420976 /nfs/dbraw/zinc/42/09/76/393420976.db2.gz FSCDJQWVGHZRKR-UHFFFAOYSA-N 2 2 297.377 3.423 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3C[C@H]3C)c(C)c2)CC1 ZINC000488292443 393480152 /nfs/dbraw/zinc/48/01/52/393480152.db2.gz IUQYKMAXHRBSNP-GDBMZVCRSA-N 2 2 287.451 3.205 20 0 CGADLP Fc1ccc(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385846 393480475 /nfs/dbraw/zinc/48/04/75/393480475.db2.gz FJOLEQKGIOLLCH-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP Fc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420385846 393480481 /nfs/dbraw/zinc/48/04/81/393480481.db2.gz FJOLEQKGIOLLCH-MLGOLLRUSA-N 2 2 296.817 3.443 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2C)[NH+]1CCCC1 ZINC000480794928 393437026 /nfs/dbraw/zinc/43/70/26/393437026.db2.gz LEHFYOKJBDRWGJ-MAUKXSAKSA-N 2 2 272.436 3.446 20 0 CGADLP CC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294570 393451365 /nfs/dbraw/zinc/45/13/65/393451365.db2.gz BGIYIIYXWGEQNZ-WDEREUQCSA-N 2 2 274.330 3.436 20 0 CGADLP CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294570 393451366 /nfs/dbraw/zinc/45/13/66/393451366.db2.gz BGIYIIYXWGEQNZ-WDEREUQCSA-N 2 2 274.330 3.436 20 0 CGADLP CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294569 393451613 /nfs/dbraw/zinc/45/16/13/393451613.db2.gz BGIYIIYXWGEQNZ-QWRGUYRKSA-N 2 2 274.330 3.436 20 0 CGADLP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000420294569 393451617 /nfs/dbraw/zinc/45/16/17/393451617.db2.gz BGIYIIYXWGEQNZ-QWRGUYRKSA-N 2 2 274.330 3.436 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000420308342 393459363 /nfs/dbraw/zinc/45/93/63/393459363.db2.gz CZSJBHGZCDZILZ-INIZCTEOSA-N 2 2 296.842 3.298 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000420308342 393459367 /nfs/dbraw/zinc/45/93/67/393459367.db2.gz CZSJBHGZCDZILZ-INIZCTEOSA-N 2 2 296.842 3.298 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378788 393478491 /nfs/dbraw/zinc/47/84/91/393478491.db2.gz XFZYGBLMHPMXQY-UHIISALHSA-N 2 2 268.351 3.100 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475574680 393409094 /nfs/dbraw/zinc/40/90/94/393409094.db2.gz WZQQZXSZRSEYGA-UNQWWWNPSA-N 2 2 290.426 3.392 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000475574680 393409097 /nfs/dbraw/zinc/40/90/97/393409097.db2.gz WZQQZXSZRSEYGA-UNQWWWNPSA-N 2 2 290.426 3.392 20 0 CGADLP C[C@@]1(c2cccc(F)c2)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000649662781 393531912 /nfs/dbraw/zinc/53/19/12/393531912.db2.gz OWABYIFLCVXUTL-QGZVFWFLSA-N 2 2 287.382 3.076 20 0 CGADLP C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000649662781 393531915 /nfs/dbraw/zinc/53/19/15/393531915.db2.gz OWABYIFLCVXUTL-QGZVFWFLSA-N 2 2 287.382 3.076 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421011165 393573771 /nfs/dbraw/zinc/57/37/71/393573771.db2.gz DEEXFHMBCVJJFS-KRWDZBQOSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421011165 393573772 /nfs/dbraw/zinc/57/37/72/393573772.db2.gz DEEXFHMBCVJJFS-KRWDZBQOSA-N 2 2 283.419 3.460 20 0 CGADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CCc2ccc(Cl)cc21 ZINC000649746627 393570480 /nfs/dbraw/zinc/57/04/80/393570480.db2.gz FHFQQCAZBWLRFX-ZDUSSCGKSA-N 2 2 289.810 3.198 20 0 CGADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCc2ccc(Cl)cc21 ZINC000649746627 393570484 /nfs/dbraw/zinc/57/04/84/393570484.db2.gz FHFQQCAZBWLRFX-ZDUSSCGKSA-N 2 2 289.810 3.198 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(C2CCCC2)n1 ZINC000430580463 393579002 /nfs/dbraw/zinc/57/90/02/393579002.db2.gz HMKXOMVTCROEJO-OAHLLOKOSA-N 2 2 281.469 3.264 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@](C)(C[NH3+])C(C)C)on2)cc1 ZINC000430599107 393580046 /nfs/dbraw/zinc/58/00/46/393580046.db2.gz PYFPUPDTWTVCEO-QGZVFWFLSA-N 2 2 287.407 3.113 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489798708 393615397 /nfs/dbraw/zinc/61/53/97/393615397.db2.gz YJAVXZDGKGNDQA-DDBAPUKQSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489798708 393615398 /nfs/dbraw/zinc/61/53/98/393615398.db2.gz YJAVXZDGKGNDQA-DDBAPUKQSA-N 2 2 272.436 3.428 20 0 CGADLP COc1ccc(F)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000361135686 393681961 /nfs/dbraw/zinc/68/19/61/393681961.db2.gz HVIAYQPVSFPUBK-UHFFFAOYSA-N 2 2 294.414 3.046 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1OC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717018 393640580 /nfs/dbraw/zinc/64/05/80/393640580.db2.gz NZFKMNQQACTAMF-HOTGVXAUSA-N 2 2 276.424 3.094 20 0 CGADLP CCCc1csc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000432791875 393640753 /nfs/dbraw/zinc/64/07/53/393640753.db2.gz HYDPYZHQBBOALK-AWEZNQCLSA-N 2 2 281.469 3.012 20 0 CGADLP CCCc1csc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000432791875 393640758 /nfs/dbraw/zinc/64/07/58/393640758.db2.gz HYDPYZHQBBOALK-AWEZNQCLSA-N 2 2 281.469 3.012 20 0 CGADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000432791874 393641663 /nfs/dbraw/zinc/64/16/63/393641663.db2.gz IKPFJSODAHCSBW-ZDUSSCGKSA-N 2 2 281.469 3.183 20 0 CGADLP CC(C)c1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000432791874 393641667 /nfs/dbraw/zinc/64/16/67/393641667.db2.gz IKPFJSODAHCSBW-ZDUSSCGKSA-N 2 2 281.469 3.183 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1OC(F)F ZINC000422836752 393643761 /nfs/dbraw/zinc/64/37/61/393643761.db2.gz RYMPKWLNGGPHJA-YUTCNCBUSA-N 2 2 298.377 3.469 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030636 393650249 /nfs/dbraw/zinc/65/02/49/393650249.db2.gz KJYSYGBOZFNPHT-ABAIWWIYSA-N 2 2 280.362 3.197 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030636 393650253 /nfs/dbraw/zinc/65/02/53/393650253.db2.gz KJYSYGBOZFNPHT-ABAIWWIYSA-N 2 2 280.362 3.197 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000423142889 393651573 /nfs/dbraw/zinc/65/15/73/393651573.db2.gz BNYKFIGPEFSWBI-BBWFWOEESA-N 2 2 276.399 3.323 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)oc1C ZINC000423262213 393657432 /nfs/dbraw/zinc/65/74/32/393657432.db2.gz MAOPCPSXSQKUPQ-SWLSCSKDSA-N 2 2 264.413 3.455 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccccc1OC ZINC000423296338 393660519 /nfs/dbraw/zinc/66/05/19/393660519.db2.gz GRHQAVHYAKVTFK-DZGCQCFKSA-N 2 2 264.413 3.253 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423361243 393663740 /nfs/dbraw/zinc/66/37/40/393663740.db2.gz MIXRFMQLHOYNJY-SWHYSGLUSA-N 2 2 296.867 3.465 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423425535 393666678 /nfs/dbraw/zinc/66/66/78/393666678.db2.gz MIJVPAXEPHNCHC-RTBURBONSA-N 2 2 296.389 3.290 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433085994 393684419 /nfs/dbraw/zinc/68/44/19/393684419.db2.gz YEWBFXPVRXGSCB-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433085994 393684423 /nfs/dbraw/zinc/68/44/23/393684423.db2.gz YEWBFXPVRXGSCB-KRWDZBQOSA-N 2 2 269.392 3.071 20 0 CGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000500116021 393817514 /nfs/dbraw/zinc/81/75/14/393817514.db2.gz BAYZEWMQPTVBEK-YESZJQIVSA-N 2 2 296.499 3.148 20 0 CGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000500116021 393817521 /nfs/dbraw/zinc/81/75/21/393817521.db2.gz BAYZEWMQPTVBEK-YESZJQIVSA-N 2 2 296.499 3.148 20 0 CGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c[nH+]1 ZINC000449540305 393890394 /nfs/dbraw/zinc/89/03/94/393890394.db2.gz MPQBKAJTQXMIHP-ROUUACIJSA-N 2 2 270.420 3.443 20 0 CGADLP Cc1ccc(CCC[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c[nH+]1 ZINC000449540305 393890397 /nfs/dbraw/zinc/89/03/97/393890397.db2.gz MPQBKAJTQXMIHP-ROUUACIJSA-N 2 2 270.420 3.443 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449545686 393894849 /nfs/dbraw/zinc/89/48/49/393894849.db2.gz ZHBFLDBNONYXND-RBUKOAKNSA-N 2 2 293.414 3.493 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)cc2)c[nH+]1 ZINC000449545686 393894852 /nfs/dbraw/zinc/89/48/52/393894852.db2.gz ZHBFLDBNONYXND-RBUKOAKNSA-N 2 2 293.414 3.493 20 0 CGADLP CO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636663 393930193 /nfs/dbraw/zinc/93/01/93/393930193.db2.gz WVODISHRPKRKRW-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C12CCC2 ZINC000449636663 393930195 /nfs/dbraw/zinc/93/01/95/393930195.db2.gz WVODISHRPKRKRW-IAGOWNOFSA-N 2 2 288.435 3.212 20 0 CGADLP CCCc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000449614834 393921674 /nfs/dbraw/zinc/92/16/74/393921674.db2.gz XDBHNWROUMULJG-UHFFFAOYSA-N 2 2 296.374 3.103 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(Cc3ccccc3)CC2)n1C ZINC000667472378 542873394 /nfs/dbraw/zinc/87/33/94/542873394.db2.gz FNPVRDSWCMWPRC-UHFFFAOYSA-N 2 2 283.419 3.183 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H](C2CC2)C2CCCC2)[nH+]c1 ZINC000453131996 394182858 /nfs/dbraw/zinc/18/28/58/394182858.db2.gz PVNAQOGHQNZIGX-QGZVFWFLSA-N 2 2 273.424 3.442 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](C)CCCc1cccnc1)[NH+](C)C ZINC000453090522 394168103 /nfs/dbraw/zinc/16/81/03/394168103.db2.gz RLPJDXKSPSPJHM-SJLPKXTDSA-N 2 2 291.483 3.359 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000667531307 542884913 /nfs/dbraw/zinc/88/49/13/542884913.db2.gz AFSSPCAATWJQTK-VBNZEHGJSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000667531307 542884915 /nfs/dbraw/zinc/88/49/15/542884915.db2.gz AFSSPCAATWJQTK-VBNZEHGJSA-N 2 2 261.413 3.129 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)n1C ZINC000667553192 542887901 /nfs/dbraw/zinc/88/79/01/542887901.db2.gz ILLLSSLNVAUDHL-INIZCTEOSA-N 2 2 269.392 3.312 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)n1C ZINC000667553192 542887904 /nfs/dbraw/zinc/88/79/04/542887904.db2.gz ILLLSSLNVAUDHL-INIZCTEOSA-N 2 2 269.392 3.312 20 0 CGADLP CC(C)[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667641994 542902549 /nfs/dbraw/zinc/90/25/49/542902549.db2.gz LJUOHYGRIJHFPX-AWEZNQCLSA-N 2 2 261.413 3.087 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667641498 542903305 /nfs/dbraw/zinc/90/33/05/542903305.db2.gz WDHJSIQJIPOHHE-KRWDZBQOSA-N 2 2 269.392 3.238 20 0 CGADLP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667641498 542903307 /nfs/dbraw/zinc/90/33/07/542903307.db2.gz WDHJSIQJIPOHHE-KRWDZBQOSA-N 2 2 269.392 3.238 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000667664510 542911287 /nfs/dbraw/zinc/91/12/87/542911287.db2.gz MUHGCWPNISZKMB-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000667664510 542911291 /nfs/dbraw/zinc/91/12/91/542911291.db2.gz MUHGCWPNISZKMB-HOTGVXAUSA-N 2 2 293.455 3.144 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)n1C ZINC000667683915 542915339 /nfs/dbraw/zinc/91/53/39/542915339.db2.gz DNGLZVCXAQFTLH-UHFFFAOYSA-N 2 2 281.762 3.153 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)n1C ZINC000667683915 542915342 /nfs/dbraw/zinc/91/53/42/542915342.db2.gz DNGLZVCXAQFTLH-UHFFFAOYSA-N 2 2 281.762 3.153 20 0 CGADLP CC(C)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000667763981 542926446 /nfs/dbraw/zinc/92/64/46/542926446.db2.gz NPUHZAPXHKXIFN-ILXRZTDVSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCCc2cccnc21 ZINC000668003177 542957283 /nfs/dbraw/zinc/95/72/83/542957283.db2.gz JGOQJJHRXRADGW-KRWDZBQOSA-N 2 2 298.434 3.413 20 0 CGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCCc2cccnc21 ZINC000668003177 542957286 /nfs/dbraw/zinc/95/72/86/542957286.db2.gz JGOQJJHRXRADGW-KRWDZBQOSA-N 2 2 298.434 3.413 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884896 289027798 /nfs/dbraw/zinc/02/77/98/289027798.db2.gz CZVXPNJLESETOP-IBEHDNSVSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[C@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCCC2 ZINC000668228958 542994715 /nfs/dbraw/zinc/99/47/15/542994715.db2.gz VJVVBASTAXWPDE-MRXNPFEDSA-N 2 2 273.424 3.230 20 0 CGADLP CC(C)[C@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCCC2 ZINC000668228958 542994716 /nfs/dbraw/zinc/99/47/16/542994716.db2.gz VJVVBASTAXWPDE-MRXNPFEDSA-N 2 2 273.424 3.230 20 0 CGADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1occc1C ZINC000668240587 542996393 /nfs/dbraw/zinc/99/63/93/542996393.db2.gz MKSKBOGEIFQYAE-UHFFFAOYSA-N 2 2 296.374 3.191 20 0 CGADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1occc1C ZINC000668240587 542996397 /nfs/dbraw/zinc/99/63/97/542996397.db2.gz MKSKBOGEIFQYAE-UHFFFAOYSA-N 2 2 296.374 3.191 20 0 CGADLP COc1ccc(C[N@H+](C)Cc2c[nH+]c(C)n2C)cc1Cl ZINC000668240822 542997113 /nfs/dbraw/zinc/99/71/13/542997113.db2.gz SZYBWSONPOZBLS-UHFFFAOYSA-N 2 2 293.798 3.023 20 0 CGADLP COc1ccc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)cc1Cl ZINC000668240822 542997117 /nfs/dbraw/zinc/99/71/17/542997117.db2.gz SZYBWSONPOZBLS-UHFFFAOYSA-N 2 2 293.798 3.023 20 0 CGADLP c1[nH+]cc(NC2CC[NH+](CC3CC3)CC2)c2c1CCCC2 ZINC000668441254 543013317 /nfs/dbraw/zinc/01/33/17/543013317.db2.gz SRRCSUOEMCQJAG-UHFFFAOYSA-N 2 2 285.435 3.247 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cn1 ZINC000668616162 543036287 /nfs/dbraw/zinc/03/62/87/543036287.db2.gz HRJZCTQQUCJMJA-KRWDZBQOSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000668616162 543036288 /nfs/dbraw/zinc/03/62/88/543036288.db2.gz HRJZCTQQUCJMJA-KRWDZBQOSA-N 3 2 289.467 3.033 20 0 CGADLP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673524283 543243713 /nfs/dbraw/zinc/24/37/13/543243713.db2.gz GOWJSGOGKAGRCL-ZDUSSCGKSA-N 2 2 278.444 3.306 20 0 CGADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000673524283 543243715 /nfs/dbraw/zinc/24/37/15/543243715.db2.gz GOWJSGOGKAGRCL-ZDUSSCGKSA-N 2 2 278.444 3.306 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916127 397609939 /nfs/dbraw/zinc/60/99/39/397609939.db2.gz MMSKNQMCXFSZMI-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000037916127 397609941 /nfs/dbraw/zinc/60/99/41/397609941.db2.gz MMSKNQMCXFSZMI-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP Cc1cn2cc(Nc3nc(C)[nH+]c(C)c3C)ccc2[nH+]1 ZINC000675550037 543346679 /nfs/dbraw/zinc/34/66/79/543346679.db2.gz ZSQVEOOCNPLDLR-UHFFFAOYSA-N 2 2 267.336 3.102 20 0 CGADLP C[C@@]1(F)CCC[NH+](CCC[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451115217 289182132 /nfs/dbraw/zinc/18/21/32/289182132.db2.gz NQBKBGDWUNSMNL-HUUCEWRRSA-N 2 2 274.399 3.025 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1F ZINC000675766257 543362315 /nfs/dbraw/zinc/36/23/15/543362315.db2.gz ITEHVUQNEYOIBH-AAEUAGOBSA-N 2 2 282.428 3.292 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1F ZINC000675766257 543362317 /nfs/dbraw/zinc/36/23/17/543362317.db2.gz ITEHVUQNEYOIBH-AAEUAGOBSA-N 2 2 282.428 3.292 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000675766582 543362638 /nfs/dbraw/zinc/36/26/38/543362638.db2.gz LVJMGHNLICSTPP-YCPHGPKFSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000675766582 543362640 /nfs/dbraw/zinc/36/26/40/543362640.db2.gz LVJMGHNLICSTPP-YCPHGPKFSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](C[NH2+][C@H](C)C1(c2ccccc2)CCCC1)[NH+](C)C ZINC000675728555 543358117 /nfs/dbraw/zinc/35/81/17/543358117.db2.gz JINAZUMKRNEPKA-HZPDHXFCSA-N 2 2 274.452 3.427 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000675734008 543358823 /nfs/dbraw/zinc/35/88/23/543358823.db2.gz USVXYWYBPVHFRF-MRXNPFEDSA-N 2 2 292.398 3.113 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675735833 543359076 /nfs/dbraw/zinc/35/90/76/543359076.db2.gz YMSQFVWSUMVJFF-SQWLQELKSA-N 2 2 252.446 3.275 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675735833 543359078 /nfs/dbraw/zinc/35/90/78/543359078.db2.gz YMSQFVWSUMVJFF-SQWLQELKSA-N 2 2 252.446 3.275 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2ccnc(Oc3ccccc3)c2)CC1 ZINC000675743219 543360254 /nfs/dbraw/zinc/36/02/54/543360254.db2.gz JZNLCTXAGVNGEJ-UHFFFAOYSA-N 2 2 297.402 3.058 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000675833234 543368677 /nfs/dbraw/zinc/36/86/77/543368677.db2.gz HZTXUMKEYNHIFB-CRAIPNDOSA-N 2 2 272.436 3.438 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000675833234 543368678 /nfs/dbraw/zinc/36/86/78/543368678.db2.gz HZTXUMKEYNHIFB-CRAIPNDOSA-N 2 2 272.436 3.438 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000675834712 543369011 /nfs/dbraw/zinc/36/90/11/543369011.db2.gz YPFYLESXCFTHNV-KSSFIOAISA-N 2 2 272.436 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000675834712 543369014 /nfs/dbraw/zinc/36/90/14/543369014.db2.gz YPFYLESXCFTHNV-KSSFIOAISA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCC1 ZINC000675917595 543373648 /nfs/dbraw/zinc/37/36/48/543373648.db2.gz DDWGVUHTMHESLW-RHSMWYFYSA-N 2 2 283.419 3.482 20 0 CGADLP CC[C@H]1CCC[C@H]1[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000675926168 543374420 /nfs/dbraw/zinc/37/44/20/543374420.db2.gz LULDHVGIDRZXNH-GOEBONIOSA-N 2 2 271.408 3.354 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404196 572750291 /nfs/dbraw/zinc/75/02/91/572750291.db2.gz JNYOMYWDSBHHKN-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404196 572750297 /nfs/dbraw/zinc/75/02/97/572750297.db2.gz JNYOMYWDSBHHKN-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404196 572750300 /nfs/dbraw/zinc/75/03/00/572750300.db2.gz JNYOMYWDSBHHKN-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)n2)C[C@H]1C ZINC000744404196 572750303 /nfs/dbraw/zinc/75/03/03/572750303.db2.gz JNYOMYWDSBHHKN-TZMCWYRMSA-N 2 2 281.831 3.040 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000677752078 543464129 /nfs/dbraw/zinc/46/41/29/543464129.db2.gz JFCWGKCFKAUNJP-MRXNPFEDSA-N 2 2 294.389 3.428 20 0 CGADLP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677752078 543464130 /nfs/dbraw/zinc/46/41/30/543464130.db2.gz JFCWGKCFKAUNJP-MRXNPFEDSA-N 2 2 294.389 3.428 20 0 CGADLP CC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805824 543466561 /nfs/dbraw/zinc/46/65/61/543466561.db2.gz QNUYLEDGLBIYQR-GDBMZVCRSA-N 2 2 260.425 3.428 20 0 CGADLP CC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805824 543466562 /nfs/dbraw/zinc/46/65/62/543466562.db2.gz QNUYLEDGLBIYQR-GDBMZVCRSA-N 2 2 260.425 3.428 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806971 543466648 /nfs/dbraw/zinc/46/66/48/543466648.db2.gz WKEZGBVQBZXQER-SJORKVTESA-N 2 2 290.451 3.054 20 0 CGADLP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806971 543466651 /nfs/dbraw/zinc/46/66/51/543466651.db2.gz WKEZGBVQBZXQER-SJORKVTESA-N 2 2 290.451 3.054 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235700 543498850 /nfs/dbraw/zinc/49/88/50/543498850.db2.gz YKKCLKLZGUSLSZ-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235700 543498851 /nfs/dbraw/zinc/49/88/51/543498851.db2.gz YKKCLKLZGUSLSZ-MRXNPFEDSA-N 2 2 273.355 3.168 20 0 CGADLP Clc1cscc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277289 543509164 /nfs/dbraw/zinc/50/91/64/543509164.db2.gz SGLKNNQEUSPQAH-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Clc1cscc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277289 543509166 /nfs/dbraw/zinc/50/91/66/543509166.db2.gz SGLKNNQEUSPQAH-GFCCVEGCSA-N 2 2 284.856 3.319 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3cnccc3C)n2c1 ZINC000678362218 543517987 /nfs/dbraw/zinc/51/79/87/543517987.db2.gz UJELXYFVEZSMQM-CQSZACIVSA-N 2 2 280.375 3.197 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)n1 ZINC000678607678 543545253 /nfs/dbraw/zinc/54/52/53/543545253.db2.gz PGXGODJIXRKESV-CQSZACIVSA-N 2 2 269.392 3.295 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C2CC2)ccc1F ZINC000678682689 543548967 /nfs/dbraw/zinc/54/89/67/543548967.db2.gz FXSWSPUOGGJXGQ-RDJZCZTQSA-N 2 2 276.399 3.269 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C2CC2)ccc1F ZINC000678682689 543548969 /nfs/dbraw/zinc/54/89/69/543548969.db2.gz FXSWSPUOGGJXGQ-RDJZCZTQSA-N 2 2 276.399 3.269 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1(C)C ZINC000678928412 543573088 /nfs/dbraw/zinc/57/30/88/543573088.db2.gz OQFLAOFQVKDWJX-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1(C)C ZINC000678928412 543573091 /nfs/dbraw/zinc/57/30/91/543573091.db2.gz OQFLAOFQVKDWJX-BRWVUGGUSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000678883144 543568719 /nfs/dbraw/zinc/56/87/19/543568719.db2.gz QFNJAVWWHHHEKW-CYBMUJFWSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000678883144 543568722 /nfs/dbraw/zinc/56/87/22/543568722.db2.gz QFNJAVWWHHHEKW-CYBMUJFWSA-N 2 2 273.355 3.032 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)[N@@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424271895 286113802 /nfs/dbraw/zinc/11/38/02/286113802.db2.gz STCPAXQSNHQEFX-HTPGKPQGSA-N 2 2 294.483 3.043 20 0 CGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)[N@H+]3CCCC[C@H]3C)C[C@H]2C1 ZINC000424271895 286113803 /nfs/dbraw/zinc/11/38/03/286113803.db2.gz STCPAXQSNHQEFX-HTPGKPQGSA-N 2 2 294.483 3.043 20 0 CGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000354574742 286151726 /nfs/dbraw/zinc/15/17/26/286151726.db2.gz OSGVNDOKIPFBDA-RCCFBDPRSA-N 2 2 290.451 3.084 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000178137769 292377948 /nfs/dbraw/zinc/37/79/48/292377948.db2.gz NDVPAEDMTRYRCT-NVXWUHKLSA-N 2 2 278.440 3.002 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCC(C)CC1 ZINC000337503191 286877266 /nfs/dbraw/zinc/87/72/66/286877266.db2.gz CMCWCSLJPOGMFG-LSDHHAIUSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000293626334 287006923 /nfs/dbraw/zinc/00/69/23/287006923.db2.gz HHXZUFAQKYWGGT-ZBFHGGJFSA-N 2 2 290.451 3.273 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000066182795 165033113 /nfs/dbraw/zinc/03/31/13/165033113.db2.gz PQJQZKIBLLPNOI-MRXNPFEDSA-N 2 2 268.404 3.469 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000066182795 165033114 /nfs/dbraw/zinc/03/31/14/165033114.db2.gz PQJQZKIBLLPNOI-MRXNPFEDSA-N 2 2 268.404 3.469 20 0 CGADLP Cc1ncsc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071212625 165070032 /nfs/dbraw/zinc/07/00/32/165070032.db2.gz PAEHOYSQAACPCO-LBPRGKRZSA-N 2 2 298.415 3.488 20 0 CGADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000077322774 165118749 /nfs/dbraw/zinc/11/87/49/165118749.db2.gz JPKXMHDNPHAUJY-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000077322774 165118756 /nfs/dbraw/zinc/11/87/56/165118756.db2.gz JPKXMHDNPHAUJY-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000080430666 165155016 /nfs/dbraw/zinc/15/50/16/165155016.db2.gz HBXURKIBXIUKDE-HOCLYGCPSA-N 2 2 273.424 3.219 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573148 165165502 /nfs/dbraw/zinc/16/55/02/165165502.db2.gz YBZVEDJLPBHONF-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573148 165165505 /nfs/dbraw/zinc/16/55/05/165165505.db2.gz YBZVEDJLPBHONF-DOTOQJQBSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423368542 287102991 /nfs/dbraw/zinc/10/29/91/287102991.db2.gz NIFIJPRYUASPMV-AQMVCYDESA-N 2 2 294.389 3.189 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[N@@H+]1C ZINC000090721304 287104949 /nfs/dbraw/zinc/10/49/49/287104949.db2.gz DBPQPFHGTJKOPT-AAEUAGOBSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)CC[N@H+]1C ZINC000090721304 287104951 /nfs/dbraw/zinc/10/49/51/287104951.db2.gz DBPQPFHGTJKOPT-AAEUAGOBSA-N 2 2 297.240 3.021 20 0 CGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nccs1 ZINC000091725838 165267216 /nfs/dbraw/zinc/26/72/16/165267216.db2.gz WYDLRXOKAIQSJR-NEPJUHHUSA-N 2 2 269.458 3.160 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1Cl ZINC000094266967 165346216 /nfs/dbraw/zinc/34/62/16/165346216.db2.gz HMNVLSDGXKDLSD-LLVKDONJSA-N 2 2 253.777 3.021 20 0 CGADLP CCC[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000094522118 165352774 /nfs/dbraw/zinc/35/27/74/165352774.db2.gz YFTJIMTYRQUCCK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CCC[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000094522118 165352777 /nfs/dbraw/zinc/35/27/77/165352777.db2.gz YFTJIMTYRQUCCK-KRWDZBQOSA-N 2 2 258.409 3.138 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000093692788 287118862 /nfs/dbraw/zinc/11/88/62/287118862.db2.gz DAVLZNVYAONTSH-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000093692788 287118865 /nfs/dbraw/zinc/11/88/65/287118865.db2.gz DAVLZNVYAONTSH-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000020146291 171032338 /nfs/dbraw/zinc/03/23/38/171032338.db2.gz OKAMERJGSDPGOR-AWEZNQCLSA-N 2 2 250.386 3.052 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186758 171050958 /nfs/dbraw/zinc/05/09/58/171050958.db2.gz UJQZASQAYQSIIQ-STQMWFEESA-N 2 2 259.397 3.369 20 0 CGADLP CCC[C@@H](C)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186743 171051185 /nfs/dbraw/zinc/05/11/85/171051185.db2.gz CXQKJNRSPZBUGV-CYBMUJFWSA-N 2 2 259.397 3.371 20 0 CGADLP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020546471 171244205 /nfs/dbraw/zinc/24/42/05/171244205.db2.gz NYAOMWGZFKMBDF-GJZGRUSLSA-N 2 2 252.446 3.277 20 0 CGADLP Clc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000021038904 171292724 /nfs/dbraw/zinc/29/27/24/171292724.db2.gz QANJJKNSSGIFLS-UHFFFAOYSA-N 2 2 266.816 3.306 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000035274824 172095779 /nfs/dbraw/zinc/09/57/79/172095779.db2.gz FZBDUQXRYNWYCY-NSHDSACASA-N 2 2 283.297 3.080 20 0 CGADLP C[N@H+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285617784 196345809 /nfs/dbraw/zinc/34/58/09/196345809.db2.gz WGKYPIDZXUNRNC-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285617784 196345810 /nfs/dbraw/zinc/34/58/10/196345810.db2.gz WGKYPIDZXUNRNC-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285617784 196345811 /nfs/dbraw/zinc/34/58/11/196345811.db2.gz WGKYPIDZXUNRNC-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1ccc(Cl)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285617784 196345812 /nfs/dbraw/zinc/34/58/12/196345812.db2.gz WGKYPIDZXUNRNC-FOSCPWQOSA-N 2 2 284.856 3.459 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000038087344 174098744 /nfs/dbraw/zinc/09/87/44/174098744.db2.gz HHIWWBBYAUXSTR-DJIMGWMZSA-N 2 2 260.425 3.253 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043326205 175007730 /nfs/dbraw/zinc/00/77/30/175007730.db2.gz JSQMSSHSUNUXLM-KGLIPLIRSA-N 2 2 252.789 3.133 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000128260999 287307308 /nfs/dbraw/zinc/30/73/08/287307308.db2.gz CRRUHTGFXSNRAK-CVEARBPZSA-N 2 2 290.451 3.263 20 0 CGADLP c1[nH]c(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000077412218 177264838 /nfs/dbraw/zinc/26/48/38/177264838.db2.gz CMAADLFYHIFHIH-RDJZCZTQSA-N 2 2 269.392 3.301 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123029302 416505501 /nfs/dbraw/zinc/50/55/01/416505501.db2.gz FSKPKUYFWBYOFY-GVDBMIGSSA-N 2 2 272.436 3.253 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123029302 416505507 /nfs/dbraw/zinc/50/55/07/416505507.db2.gz FSKPKUYFWBYOFY-GVDBMIGSSA-N 2 2 272.436 3.253 20 0 CGADLP c1c[nH+]c(CNc2[nH+]c3ccccc3n2C2CCCC2)[nH]1 ZINC000679118460 543592162 /nfs/dbraw/zinc/59/21/62/543592162.db2.gz IGKSEJUQTRFMGG-UHFFFAOYSA-N 2 2 281.363 3.487 20 0 CGADLP Cc1ccc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)c(C)[nH+]1 ZINC000679125812 543594056 /nfs/dbraw/zinc/59/40/56/543594056.db2.gz BCRVRMNKRUBVLS-AWEZNQCLSA-N 2 2 293.374 3.452 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000679989072 543672641 /nfs/dbraw/zinc/67/26/41/543672641.db2.gz OQRQVIHSBPQPDJ-DZGCQCFKSA-N 2 2 278.465 3.023 20 0 CGADLP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000679989072 543672645 /nfs/dbraw/zinc/67/26/45/543672645.db2.gz OQRQVIHSBPQPDJ-DZGCQCFKSA-N 2 2 278.465 3.023 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081755 287354162 /nfs/dbraw/zinc/35/41/62/287354162.db2.gz HQWCSBKJKUFWCA-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449081755 287354163 /nfs/dbraw/zinc/35/41/63/287354163.db2.gz HQWCSBKJKUFWCA-HUUCEWRRSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)c1 ZINC000681674699 543801735 /nfs/dbraw/zinc/80/17/35/543801735.db2.gz OQORVIALKQYLGZ-SFHVURJKSA-N 2 2 293.414 3.200 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000681973618 543812985 /nfs/dbraw/zinc/81/29/85/543812985.db2.gz YSRPIIRIEYSZFF-KSZLIROESA-N 2 2 272.436 3.082 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000681973618 543812987 /nfs/dbraw/zinc/81/29/87/543812987.db2.gz YSRPIIRIEYSZFF-KSZLIROESA-N 2 2 272.436 3.082 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000130835505 287364623 /nfs/dbraw/zinc/36/46/23/287364623.db2.gz JKGMMPWPNJLHNY-GJZGRUSLSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000130835505 287364625 /nfs/dbraw/zinc/36/46/25/287364625.db2.gz JKGMMPWPNJLHNY-GJZGRUSLSA-N 2 2 290.451 3.089 20 0 CGADLP Cc1ccc(C(C)(C)C[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000131488342 287381396 /nfs/dbraw/zinc/38/13/96/287381396.db2.gz YPYBCTJWQPLYEC-UHFFFAOYSA-N 2 2 271.408 3.101 20 0 CGADLP Cc1ccc(C(C)(C)C[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000131488342 287381397 /nfs/dbraw/zinc/38/13/97/287381397.db2.gz YPYBCTJWQPLYEC-UHFFFAOYSA-N 2 2 271.408 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000682731773 543863032 /nfs/dbraw/zinc/86/30/32/543863032.db2.gz HYAMDKIBGHTBHC-SUMWQHHRSA-N 2 2 288.435 3.101 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000682731773 543863034 /nfs/dbraw/zinc/86/30/34/543863034.db2.gz HYAMDKIBGHTBHC-SUMWQHHRSA-N 2 2 288.435 3.101 20 0 CGADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337509503 287391542 /nfs/dbraw/zinc/39/15/42/287391542.db2.gz HXTSEMVUIGUGOA-RBSFLKMASA-N 2 2 250.430 3.172 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H]1CCOC1 ZINC000683003279 543887121 /nfs/dbraw/zinc/88/71/21/543887121.db2.gz ZGMDRMKLVBXFSL-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H]1CCOC1 ZINC000683003279 543887124 /nfs/dbraw/zinc/88/71/24/543887124.db2.gz ZGMDRMKLVBXFSL-INIZCTEOSA-N 2 2 299.418 3.039 20 0 CGADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000684374722 543988475 /nfs/dbraw/zinc/98/84/75/543988475.db2.gz UKLRWABRNPCFNK-KZNAEPCWSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@H]2OCCc3ccccc32)c[nH+]1 ZINC000684378567 543989389 /nfs/dbraw/zinc/98/93/89/543989389.db2.gz MZUMRIKJNWXPSB-LJQANCHMSA-N 2 2 296.414 3.226 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000684954314 544043717 /nfs/dbraw/zinc/04/37/17/544043717.db2.gz YTDDAWGHMNXGBO-ZACQAIPSSA-N 2 2 287.451 3.100 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000684954314 544043720 /nfs/dbraw/zinc/04/37/20/544043720.db2.gz YTDDAWGHMNXGBO-ZACQAIPSSA-N 2 2 287.451 3.100 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCCc3cccnc32)[nH+]c1 ZINC000684955824 544044556 /nfs/dbraw/zinc/04/45/56/544044556.db2.gz UIIRDSGGOCJGOP-MRXNPFEDSA-N 2 2 296.418 3.336 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000685582544 544087332 /nfs/dbraw/zinc/08/73/32/544087332.db2.gz VWINXFBEGJKLNH-SJORKVTESA-N 2 2 290.451 3.227 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000685582544 544087336 /nfs/dbraw/zinc/08/73/36/544087336.db2.gz VWINXFBEGJKLNH-SJORKVTESA-N 2 2 290.451 3.227 20 0 CGADLP CO[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882332 419027280 /nfs/dbraw/zinc/02/72/80/419027280.db2.gz GYADEABGIIKRKB-IRXDYDNUSA-N 2 2 291.439 3.115 20 0 CGADLP CO[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000659882332 419027281 /nfs/dbraw/zinc/02/72/81/419027281.db2.gz GYADEABGIIKRKB-IRXDYDNUSA-N 2 2 291.439 3.115 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000660129267 419082914 /nfs/dbraw/zinc/08/29/14/419082914.db2.gz POGQSJYJOQPGKV-GJZGRUSLSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000660129267 419082917 /nfs/dbraw/zinc/08/29/17/419082917.db2.gz POGQSJYJOQPGKV-GJZGRUSLSA-N 2 2 275.440 3.426 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000660130179 419083141 /nfs/dbraw/zinc/08/31/41/419083141.db2.gz WRYZZEBRFXVZIR-DLBZAZTESA-N 2 2 295.430 3.330 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000660130179 419083144 /nfs/dbraw/zinc/08/31/44/419083144.db2.gz WRYZZEBRFXVZIR-DLBZAZTESA-N 2 2 295.430 3.330 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)C[N@@H+]1Cc1ccccc1 ZINC000665233232 419086544 /nfs/dbraw/zinc/08/65/44/419086544.db2.gz CCNZOYBZAOHHDJ-BEFAXECRSA-N 2 2 295.430 3.021 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N)c2)C[N@H+]1Cc1ccccc1 ZINC000665233232 419086548 /nfs/dbraw/zinc/08/65/48/419086548.db2.gz CCNZOYBZAOHHDJ-BEFAXECRSA-N 2 2 295.430 3.021 20 0 CGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000665238242 419088904 /nfs/dbraw/zinc/08/89/04/419088904.db2.gz UTNJIMZLDJBRHO-BXUZGUMPSA-N 2 2 286.341 3.025 20 0 CGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cscn1 ZINC000665240348 419089039 /nfs/dbraw/zinc/08/90/39/419089039.db2.gz IRHSXSOGQAKUCA-JHJVBQTASA-N 2 2 267.442 3.105 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000655801258 419099937 /nfs/dbraw/zinc/09/99/37/419099937.db2.gz UXGUEPTYKRYYAM-VUCTXSBTSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1F ZINC000655801258 419099941 /nfs/dbraw/zinc/09/99/41/419099941.db2.gz UXGUEPTYKRYYAM-VUCTXSBTSA-N 2 2 276.399 3.349 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Br)cc1 ZINC000665293966 419107844 /nfs/dbraw/zinc/10/78/44/419107844.db2.gz GEFSLCDXBFMMFB-MFKMUULPSA-N 2 2 285.229 3.098 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2c(C(C)C)cccc21 ZINC000665295710 419109021 /nfs/dbraw/zinc/10/90/21/419109021.db2.gz HUVAWJJNMFWTQO-XJKSGUPXSA-N 2 2 276.424 3.221 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000665295716 419109159 /nfs/dbraw/zinc/10/91/59/419109159.db2.gz IDURZSDKTPVHBT-NXEZZACHSA-N 2 2 269.458 3.008 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000665295639 419109650 /nfs/dbraw/zinc/10/96/50/419109650.db2.gz GVDIECYRJFDLPZ-VHSXEESVSA-N 2 2 295.477 3.439 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000665298425 419110182 /nfs/dbraw/zinc/11/01/82/419110182.db2.gz VWWIIWGJFYSPKP-KDOFPFPSSA-N 2 2 286.394 3.307 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000665297718 419110985 /nfs/dbraw/zinc/11/09/85/419110985.db2.gz KGBUCOVPYFXRNW-QAPCUYQASA-N 2 2 268.404 3.282 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848249 419118843 /nfs/dbraw/zinc/11/88/43/419118843.db2.gz CGFBBDIFODSNSS-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848249 419118845 /nfs/dbraw/zinc/11/88/45/419118845.db2.gz CGFBBDIFODSNSS-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC1(C)C ZINC000655849689 419120117 /nfs/dbraw/zinc/12/01/17/419120117.db2.gz YDGGKXITUMFGMR-XQLPTFJDSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC1(C)C ZINC000655849689 419120119 /nfs/dbraw/zinc/12/01/19/419120119.db2.gz YDGGKXITUMFGMR-XQLPTFJDSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655849802 419120752 /nfs/dbraw/zinc/12/07/52/419120752.db2.gz QJCFWYJVFBIBJE-BMGDILEWSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655849802 419120754 /nfs/dbraw/zinc/12/07/54/419120754.db2.gz QJCFWYJVFBIBJE-BMGDILEWSA-N 2 2 288.435 3.363 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2Cl)CC1 ZINC000659983806 419055653 /nfs/dbraw/zinc/05/56/53/419055653.db2.gz WDRPITNDTMFHSA-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2Cl)CC1 ZINC000659983806 419055658 /nfs/dbraw/zinc/05/56/58/419055658.db2.gz WDRPITNDTMFHSA-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655708283 419073522 /nfs/dbraw/zinc/07/35/22/419073522.db2.gz MOTKYTZUJSNQNU-BPQIPLTHSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H](CCC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728776 419080621 /nfs/dbraw/zinc/08/06/21/419080621.db2.gz CMWOCAOTKWYENC-CRAIPNDOSA-N 2 2 294.483 3.188 20 0 CGADLP C(CC1CCCC1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473062 419150963 /nfs/dbraw/zinc/15/09/63/419150963.db2.gz FTNVFYVXKKAJQY-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP C(CC1CCCC1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473062 419150967 /nfs/dbraw/zinc/15/09/67/419150967.db2.gz FTNVFYVXKKAJQY-GOSISDBHSA-N 2 2 294.483 3.144 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2c1C ZINC000656226504 419154390 /nfs/dbraw/zinc/15/43/90/419154390.db2.gz NBSIREVHZYXECK-KBPBESRZSA-N 2 2 299.422 3.004 20 0 CGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)c2c1C ZINC000656226504 419154394 /nfs/dbraw/zinc/15/43/94/419154394.db2.gz NBSIREVHZYXECK-KBPBESRZSA-N 2 2 299.422 3.004 20 0 CGADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000656261638 419159680 /nfs/dbraw/zinc/15/96/80/419159680.db2.gz LTZUTKOFVVLXDK-MSOLQXFVSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@H]1CCCCO1 ZINC000656276885 419163598 /nfs/dbraw/zinc/16/35/98/419163598.db2.gz JLLMJPGGTLNYNQ-DLBZAZTESA-N 2 2 276.424 3.260 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654499 419177417 /nfs/dbraw/zinc/17/74/17/419177417.db2.gz GSSIRKBBLTXBBI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654499 419177420 /nfs/dbraw/zinc/17/74/20/419177420.db2.gz GSSIRKBBLTXBBI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654499 419177421 /nfs/dbraw/zinc/17/74/21/419177421.db2.gz GSSIRKBBLTXBBI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654499 419177423 /nfs/dbraw/zinc/17/74/23/419177423.db2.gz GSSIRKBBLTXBBI-GUYCJALGSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Cl)c1 ZINC000657287554 419243067 /nfs/dbraw/zinc/24/30/67/419243067.db2.gz QRRLFFVFPURQDD-LLVKDONJSA-N 2 2 275.783 3.334 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657294398 419244912 /nfs/dbraw/zinc/24/49/12/419244912.db2.gz QLEWLFRPPKNDKF-UHFFFAOYSA-N 2 2 286.341 3.066 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510478 419268992 /nfs/dbraw/zinc/26/89/92/419268992.db2.gz HDXKOGJBTOPNAL-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510478 419268996 /nfs/dbraw/zinc/26/89/96/419268996.db2.gz HDXKOGJBTOPNAL-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510478 419268999 /nfs/dbraw/zinc/26/89/99/419268999.db2.gz HDXKOGJBTOPNAL-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661510478 419269001 /nfs/dbraw/zinc/26/90/01/419269001.db2.gz HDXKOGJBTOPNAL-IAGOWNOFSA-N 2 2 276.399 3.447 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCc3ccccc31)CCC2 ZINC000657299189 419245784 /nfs/dbraw/zinc/24/57/84/419245784.db2.gz SEFGGFONLPKVIH-OAHLLOKOSA-N 2 2 281.403 3.039 20 0 CGADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1F ZINC000657334290 419252714 /nfs/dbraw/zinc/25/27/14/419252714.db2.gz UHVSCHNSCOFSMV-UHFFFAOYSA-N 2 2 298.352 3.210 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)Cn1cc[nH+]c1 ZINC000657334170 419252732 /nfs/dbraw/zinc/25/27/32/419252732.db2.gz OKLNKUZIEPNJDX-LSDHHAIUSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cc21 ZINC000657334159 419252860 /nfs/dbraw/zinc/25/28/60/419252860.db2.gz OHXGSSGLHJSQEG-CYBMUJFWSA-N 2 2 282.391 3.099 20 0 CGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Nc1ccccc1 ZINC000657354857 419258450 /nfs/dbraw/zinc/25/84/50/419258450.db2.gz WTRMFWULGARSED-QGZVFWFLSA-N 2 2 298.434 3.056 20 0 CGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)s1 ZINC000656985031 419225618 /nfs/dbraw/zinc/22/56/18/419225618.db2.gz KFAOQAMZEHLURS-JTQLQIEISA-N 2 2 286.404 3.258 20 0 CGADLP C[C@H](CCCC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657445998 419280847 /nfs/dbraw/zinc/28/08/47/419280847.db2.gz DLNUDDBNSJQBDB-SNVBAGLBSA-N 2 2 275.318 3.040 20 0 CGADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657454611 419282511 /nfs/dbraw/zinc/28/25/11/419282511.db2.gz BSQZUOQSVLQUEE-SHTZXODSSA-N 2 2 281.403 3.174 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)oc21 ZINC000657469547 419286492 /nfs/dbraw/zinc/28/64/92/419286492.db2.gz IWRDFLJEAVNUPC-CQSZACIVSA-N 2 2 295.386 3.365 20 0 CGADLP CCc1cccc2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)oc21 ZINC000657469547 419286495 /nfs/dbraw/zinc/28/64/95/419286495.db2.gz IWRDFLJEAVNUPC-CQSZACIVSA-N 2 2 295.386 3.365 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657479065 419288836 /nfs/dbraw/zinc/28/88/36/419288836.db2.gz QDLYKNRUNNHXPY-ZIAGYGMSSA-N 2 2 261.413 3.135 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657522304 419297310 /nfs/dbraw/zinc/29/73/10/419297310.db2.gz ASGXOFFPWZTGRF-CABCVRRESA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000657522304 419297311 /nfs/dbraw/zinc/29/73/11/419297311.db2.gz ASGXOFFPWZTGRF-CABCVRRESA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000657524857 419297405 /nfs/dbraw/zinc/29/74/05/419297405.db2.gz SQDWLCIYRIUSSM-DLBZAZTESA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000657524857 419297407 /nfs/dbraw/zinc/29/74/07/419297407.db2.gz SQDWLCIYRIUSSM-DLBZAZTESA-N 2 2 272.436 3.006 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527736 419298546 /nfs/dbraw/zinc/29/85/46/419298546.db2.gz YHFMILFZUXSOMV-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527736 419298549 /nfs/dbraw/zinc/29/85/49/419298549.db2.gz YHFMILFZUXSOMV-CJNGLKHVSA-N 2 2 278.415 3.219 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cs1 ZINC000657527308 419298954 /nfs/dbraw/zinc/29/89/54/419298954.db2.gz SLSBSEBEHAPEJT-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cs1 ZINC000657527308 419298956 /nfs/dbraw/zinc/29/89/56/419298956.db2.gz SLSBSEBEHAPEJT-CYBMUJFWSA-N 2 2 252.427 3.019 20 0 CGADLP CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657547886 419301894 /nfs/dbraw/zinc/30/18/94/419301894.db2.gz OFUUKIGBJBOZFW-OAHLLOKOSA-N 2 2 287.382 3.079 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000657563198 419306645 /nfs/dbraw/zinc/30/66/45/419306645.db2.gz QCQMXZINHXQYER-IAGOWNOFSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000657563198 419306647 /nfs/dbraw/zinc/30/66/47/419306647.db2.gz QCQMXZINHXQYER-IAGOWNOFSA-N 2 2 272.436 3.006 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000657679857 419327863 /nfs/dbraw/zinc/32/78/63/419327863.db2.gz GNEIQJZTAWBAPO-ZDUSSCGKSA-N 2 2 278.362 3.181 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(F)(F)CC1 ZINC000657694004 419329510 /nfs/dbraw/zinc/32/95/10/419329510.db2.gz INXMQNIBJQKTRZ-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657653119 419319749 /nfs/dbraw/zinc/31/97/49/419319749.db2.gz IBYCAWYEMHEIEI-QAPCUYQASA-N 2 2 284.403 3.247 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657653119 419319750 /nfs/dbraw/zinc/31/97/50/419319750.db2.gz IBYCAWYEMHEIEI-QAPCUYQASA-N 2 2 284.403 3.247 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000657733715 419333143 /nfs/dbraw/zinc/33/31/43/419333143.db2.gz LPKMJUDHRDFTFS-BDXSIMOUSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC000657733715 419333145 /nfs/dbraw/zinc/33/31/45/419333145.db2.gz LPKMJUDHRDFTFS-BDXSIMOUSA-N 2 2 284.447 3.428 20 0 CGADLP CC1(C)C[C@@]1(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657761649 419339820 /nfs/dbraw/zinc/33/98/20/419339820.db2.gz QIIRBVRHIVVPDX-CQSZACIVSA-N 2 2 261.394 3.212 20 0 CGADLP C[N@H+](CCOc1cc(Cl)ccc1Cl)CC(C)(C)[NH3+] ZINC000662298061 419388143 /nfs/dbraw/zinc/38/81/43/419388143.db2.gz TZZCJGSVDFHIJZ-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP C[N@@H+](CCOc1cc(Cl)ccc1Cl)CC(C)(C)[NH3+] ZINC000662298061 419388146 /nfs/dbraw/zinc/38/81/46/419388146.db2.gz TZZCJGSVDFHIJZ-UHFFFAOYSA-N 2 2 291.222 3.041 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657831532 419377468 /nfs/dbraw/zinc/37/74/68/419377468.db2.gz AGVPOQMOJKASQB-NEPJUHHUSA-N 2 2 264.404 3.232 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657835114 419379813 /nfs/dbraw/zinc/37/98/13/419379813.db2.gz SOOFTHORMTVGFQ-RYUDHWBXSA-N 2 2 286.404 3.232 20 0 CGADLP CC1(C)[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]2CCC[C@@H]21 ZINC000657837113 419380890 /nfs/dbraw/zinc/38/08/90/419380890.db2.gz PMBVMQZQXLNAPN-SOLBZPMBSA-N 2 2 299.462 3.465 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995471 419485024 /nfs/dbraw/zinc/48/50/24/419485024.db2.gz HFDNAMIDZZPCQS-RYUDHWBXSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)(C)C(F)F ZINC000657995471 419485033 /nfs/dbraw/zinc/48/50/33/419485033.db2.gz HFDNAMIDZZPCQS-RYUDHWBXSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657941397 419454860 /nfs/dbraw/zinc/45/48/60/419454860.db2.gz VERLHVPGLAEYQH-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657941397 419454866 /nfs/dbraw/zinc/45/48/66/419454866.db2.gz VERLHVPGLAEYQH-NVXWUHKLSA-N 2 2 292.492 3.382 20 0 CGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657951848 419459653 /nfs/dbraw/zinc/45/96/53/419459653.db2.gz FOPZQRJRXWEHSH-WDMOLILDSA-N 2 2 283.366 3.010 20 0 CGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(C(F)F)nc2)[C@@H](C)C1 ZINC000657951848 419459658 /nfs/dbraw/zinc/45/96/58/419459658.db2.gz FOPZQRJRXWEHSH-WDMOLILDSA-N 2 2 283.366 3.010 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055914 419525691 /nfs/dbraw/zinc/52/56/91/419525691.db2.gz JUZDZFCLDGAYTR-HUUCEWRRSA-N 2 2 289.467 3.276 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1N(C)C ZINC000658055914 419525697 /nfs/dbraw/zinc/52/56/97/419525697.db2.gz JUZDZFCLDGAYTR-HUUCEWRRSA-N 2 2 289.467 3.276 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)CC2 ZINC000658058768 419532124 /nfs/dbraw/zinc/53/21/24/419532124.db2.gz TXQKUJYYIXUCCO-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)CC2 ZINC000658058768 419532134 /nfs/dbraw/zinc/53/21/34/419532134.db2.gz TXQKUJYYIXUCCO-WMLDXEAASA-N 2 2 288.435 3.145 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000658062049 419535599 /nfs/dbraw/zinc/53/55/99/419535599.db2.gz RGXXLHNUOCPNMA-ZNMIVQPWSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000658062049 419535602 /nfs/dbraw/zinc/53/56/02/419535602.db2.gz RGXXLHNUOCPNMA-ZNMIVQPWSA-N 2 2 270.436 3.367 20 0 CGADLP CC(C)c1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000663314886 419552394 /nfs/dbraw/zinc/55/23/94/419552394.db2.gz BUFJXPRWKIXAMJ-OAHLLOKOSA-N 2 2 271.408 3.432 20 0 CGADLP CC(C)c1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000663315644 419553447 /nfs/dbraw/zinc/55/34/47/419553447.db2.gz ZKHROCRFKMEKLF-CQSZACIVSA-N 2 2 257.381 3.185 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000658095312 419574128 /nfs/dbraw/zinc/57/41/28/419574128.db2.gz GKJBHNCHYGMJAR-CABCVRRESA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000658095312 419574134 /nfs/dbraw/zinc/57/41/34/419574134.db2.gz GKJBHNCHYGMJAR-CABCVRRESA-N 2 2 250.430 3.028 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095296 419574978 /nfs/dbraw/zinc/57/49/78/419574978.db2.gz GCCIRCSCKCZQHR-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658095296 419574984 /nfs/dbraw/zinc/57/49/84/419574984.db2.gz GCCIRCSCKCZQHR-GJZGRUSLSA-N 2 2 252.446 3.418 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226261 419685799 /nfs/dbraw/zinc/68/57/99/419685799.db2.gz IGCYGVUXACKVHW-ZBFHGGJFSA-N 2 2 294.483 3.329 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226261 419685806 /nfs/dbraw/zinc/68/58/06/419685806.db2.gz IGCYGVUXACKVHW-ZBFHGGJFSA-N 2 2 294.483 3.329 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000658283328 419729362 /nfs/dbraw/zinc/72/93/62/419729362.db2.gz BYTZJMCFNGSLSL-GOSISDBHSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000658283328 419729369 /nfs/dbraw/zinc/72/93/69/419729369.db2.gz BYTZJMCFNGSLSL-GOSISDBHSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000658285370 419733819 /nfs/dbraw/zinc/73/38/19/419733819.db2.gz LBSIXORNYBRBGK-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000658285370 419733827 /nfs/dbraw/zinc/73/38/27/419733827.db2.gz LBSIXORNYBRBGK-IAGOWNOFSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000658286763 419734665 /nfs/dbraw/zinc/73/46/65/419734665.db2.gz USHVJKFRKOVEFV-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000658286763 419734668 /nfs/dbraw/zinc/73/46/68/419734668.db2.gz USHVJKFRKOVEFV-JSGCOSHPSA-N 2 2 289.448 3.431 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c[nH+]c12 ZINC000180367467 260099566 /nfs/dbraw/zinc/09/95/66/260099566.db2.gz YHBTVAZAGTYDNJ-CQSZACIVSA-N 2 2 287.407 3.078 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000223064629 260262884 /nfs/dbraw/zinc/26/28/84/260262884.db2.gz KVWZCHKFILDFCF-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC1 ZINC000223064629 260262886 /nfs/dbraw/zinc/26/28/86/260262886.db2.gz KVWZCHKFILDFCF-CABCVRRESA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000318314309 260975604 /nfs/dbraw/zinc/97/56/04/260975604.db2.gz QZGOLTIQSXKSMT-KKXDTOCCSA-N 2 2 297.402 3.090 20 0 CGADLP CO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1(C)C ZINC000318547959 261243613 /nfs/dbraw/zinc/24/36/13/261243613.db2.gz KHARPHTWPCLZJW-IRXDYDNUSA-N 2 2 299.418 3.084 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221830527 262301499 /nfs/dbraw/zinc/30/14/99/262301499.db2.gz ASOVYEWNSIEREN-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221830527 262301501 /nfs/dbraw/zinc/30/15/01/262301501.db2.gz ASOVYEWNSIEREN-QLFBSQMISA-N 2 2 288.435 3.279 20 0 CGADLP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)s1 ZINC000219804410 270085886 /nfs/dbraw/zinc/08/58/86/270085886.db2.gz JCSZSXVECUXUNX-GXTWGEPZSA-N 2 2 278.465 3.229 20 0 CGADLP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)s1 ZINC000219804410 270085887 /nfs/dbraw/zinc/08/58/87/270085887.db2.gz JCSZSXVECUXUNX-GXTWGEPZSA-N 2 2 278.465 3.229 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223015394 270086099 /nfs/dbraw/zinc/08/60/99/270086099.db2.gz MZMAXWNHTADWHF-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000223015394 270086100 /nfs/dbraw/zinc/08/61/00/270086100.db2.gz MZMAXWNHTADWHF-BBRMVZONSA-N 2 2 280.843 3.345 20 0 CGADLP CC(C)CCn1cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000523390452 270108708 /nfs/dbraw/zinc/10/87/08/270108708.db2.gz KWVLJKDMGBYQPW-UHFFFAOYSA-N 2 2 288.439 3.301 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000524771433 270114996 /nfs/dbraw/zinc/11/49/96/270114996.db2.gz MSTXNMSQNABYDP-JORMNFRLSA-N 2 2 258.409 3.021 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000524771433 270114997 /nfs/dbraw/zinc/11/49/97/270114997.db2.gz MSTXNMSQNABYDP-JORMNFRLSA-N 2 2 258.409 3.021 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527640815 270130635 /nfs/dbraw/zinc/13/06/35/270130635.db2.gz MLHSCKRIQHKOSQ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527640815 270130636 /nfs/dbraw/zinc/13/06/36/270130636.db2.gz MLHSCKRIQHKOSQ-JTQLQIEISA-N 2 2 288.769 3.050 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2CCc3ccccc3CC2)n1C ZINC000527733802 270133076 /nfs/dbraw/zinc/13/30/76/270133076.db2.gz GPQIFYCKNJADSL-UHFFFAOYSA-N 2 2 283.419 3.013 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806368 270137062 /nfs/dbraw/zinc/13/70/62/270137062.db2.gz JYMPAFRGVLAUKC-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806368 270137063 /nfs/dbraw/zinc/13/70/63/270137063.db2.gz JYMPAFRGVLAUKC-KRWDZBQOSA-N 2 2 258.409 3.102 20 0 CGADLP c1cnc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2c1 ZINC000527805828 270137068 /nfs/dbraw/zinc/13/70/68/270137068.db2.gz IKPKRFDXWMNYAN-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP c1cnc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2c1 ZINC000527805828 270137069 /nfs/dbraw/zinc/13/70/69/270137069.db2.gz IKPKRFDXWMNYAN-SFHVURJKSA-N 2 2 295.430 3.341 20 0 CGADLP CC[NH+](CC)[C@@H](C)CNc1[nH+]ccc2ccccc21 ZINC000527843565 270139122 /nfs/dbraw/zinc/13/91/22/270139122.db2.gz BWBFPLCUSILSEQ-ZDUSSCGKSA-N 2 2 257.381 3.377 20 0 CGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527854761 270140072 /nfs/dbraw/zinc/14/00/72/270140072.db2.gz XRBPLIKLHYKHIN-DOTOQJQBSA-N 2 2 295.430 3.252 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527999278 270149640 /nfs/dbraw/zinc/14/96/40/270149640.db2.gz GFJVLXVMIOELBF-SSDMNJCBSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527999278 270149641 /nfs/dbraw/zinc/14/96/41/270149641.db2.gz GFJVLXVMIOELBF-SSDMNJCBSA-N 2 2 286.410 3.417 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528001205 270150075 /nfs/dbraw/zinc/15/00/75/270150075.db2.gz LXLPBYMQINKTIA-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528001205 270150076 /nfs/dbraw/zinc/15/00/76/270150076.db2.gz LXLPBYMQINKTIA-HOTGVXAUSA-N 2 2 250.430 3.172 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010158 270151081 /nfs/dbraw/zinc/15/10/81/270151081.db2.gz JCUSWTXNLSECOK-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010158 270151082 /nfs/dbraw/zinc/15/10/82/270151082.db2.gz JCUSWTXNLSECOK-AEFFLSMTSA-N 2 2 288.410 3.420 20 0 CGADLP CC1([NH+]2CCOCC2)CC[NH+](CCCC2CCCC2)CC1 ZINC000528727702 270170258 /nfs/dbraw/zinc/17/02/58/270170258.db2.gz JLQUURUYTOJWMB-UHFFFAOYSA-N 2 2 294.483 3.144 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558715 270184589 /nfs/dbraw/zinc/18/45/89/270184589.db2.gz SECXUCLMYPQUHM-WCQYABFASA-N 2 2 274.399 3.130 20 0 CGADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC(F)(F)C1 ZINC000529558715 270184590 /nfs/dbraw/zinc/18/45/90/270184590.db2.gz SECXUCLMYPQUHM-WCQYABFASA-N 2 2 274.399 3.130 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215694 270195684 /nfs/dbraw/zinc/19/56/84/270195684.db2.gz IBCOMQUGLBGMAC-DLBZAZTESA-N 2 2 295.430 3.420 20 0 CGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215697 270195789 /nfs/dbraw/zinc/19/57/89/270195789.db2.gz IBCOMQUGLBGMAC-SJORKVTESA-N 2 2 295.430 3.420 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530216892 270195914 /nfs/dbraw/zinc/19/59/14/270195914.db2.gz QTPKGLGPFGHLOR-DAXOMENPSA-N 2 2 256.393 3.109 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217346 270196094 /nfs/dbraw/zinc/19/60/94/270196094.db2.gz GCZWQEKWLBNTEE-CABCVRRESA-N 2 2 262.372 3.151 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530217667 270196305 /nfs/dbraw/zinc/19/63/05/270196305.db2.gz VDXWXKODPOQBPY-CABCVRRESA-N 2 2 262.372 3.151 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(F)c1 ZINC000530225022 270196381 /nfs/dbraw/zinc/19/63/81/270196381.db2.gz WIPGDECGNYTMAZ-IINYFYTJSA-N 2 2 282.790 3.414 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)c(F)c1 ZINC000530225034 270196672 /nfs/dbraw/zinc/19/66/72/270196672.db2.gz WIPGDECGNYTMAZ-YGRLFVJLSA-N 2 2 282.790 3.414 20 0 CGADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530226293 270196884 /nfs/dbraw/zinc/19/68/84/270196884.db2.gz ZLOKJFAVZUTHJW-UKRRQHHQSA-N 2 2 274.408 3.167 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000530244525 270197247 /nfs/dbraw/zinc/19/72/47/270197247.db2.gz MBKWAJILTMFIQP-CQSZACIVSA-N 2 2 266.816 3.305 20 0 CGADLP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531684848 270208582 /nfs/dbraw/zinc/20/85/82/270208582.db2.gz URDCCVGKJNAZFH-HUUCEWRRSA-N 2 2 284.513 3.372 20 0 CGADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000531684755 270208634 /nfs/dbraw/zinc/20/86/34/270208634.db2.gz IWBLQDVGNGAVPP-KRWDZBQOSA-N 2 2 287.407 3.413 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983885 270212356 /nfs/dbraw/zinc/21/23/56/270212356.db2.gz HUZMDCWLORVGBU-SJORKVTESA-N 2 2 274.452 3.248 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983885 270212357 /nfs/dbraw/zinc/21/23/57/270212357.db2.gz HUZMDCWLORVGBU-SJORKVTESA-N 2 2 274.452 3.248 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983906 270212379 /nfs/dbraw/zinc/21/23/79/270212379.db2.gz LYWFSTONNMYWBB-JKSUJKDBSA-N 2 2 290.451 3.468 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983906 270212380 /nfs/dbraw/zinc/21/23/80/270212380.db2.gz LYWFSTONNMYWBB-JKSUJKDBSA-N 2 2 290.451 3.468 20 0 CGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000532207740 270214094 /nfs/dbraw/zinc/21/40/94/270214094.db2.gz SQYNCCQUUKFBHN-LVQVYYBASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000532207740 270214095 /nfs/dbraw/zinc/21/40/95/270214095.db2.gz SQYNCCQUUKFBHN-LVQVYYBASA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CCOCC1 ZINC000532231601 270214582 /nfs/dbraw/zinc/21/45/82/270214582.db2.gz WACGHIIHJYCQAT-HLLBOEOZSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CCOCC1 ZINC000532231601 270214583 /nfs/dbraw/zinc/21/45/83/270214583.db2.gz WACGHIIHJYCQAT-HLLBOEOZSA-N 2 2 282.472 3.044 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532530288 270216804 /nfs/dbraw/zinc/21/68/04/270216804.db2.gz WEMKXCUIXCNCKK-CABCVRRESA-N 2 2 260.425 3.241 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532530288 270216805 /nfs/dbraw/zinc/21/68/05/270216805.db2.gz WEMKXCUIXCNCKK-CABCVRRESA-N 2 2 260.425 3.241 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338199868 273611952 /nfs/dbraw/zinc/61/19/52/273611952.db2.gz ZSRPJGVDRKEOSE-INIZCTEOSA-N 2 2 294.389 3.416 20 0 CGADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000414952098 274377343 /nfs/dbraw/zinc/37/73/43/274377343.db2.gz IBGMSOFRLUVNMF-RNCFNFMXSA-N 2 2 273.207 3.081 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000353624405 274393664 /nfs/dbraw/zinc/39/36/64/274393664.db2.gz QGENHTCUHIHTRC-XHBSWPGZSA-N 2 2 267.376 3.105 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000353624405 274393665 /nfs/dbraw/zinc/39/36/65/274393665.db2.gz QGENHTCUHIHTRC-XHBSWPGZSA-N 2 2 267.376 3.105 20 0 CGADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000348186982 274757375 /nfs/dbraw/zinc/75/73/75/274757375.db2.gz NPBZFGQFDHRIGH-SJLPKXTDSA-N 2 2 281.403 3.247 20 0 CGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2(C)COC2)CC1 ZINC000361345579 274850658 /nfs/dbraw/zinc/85/06/58/274850658.db2.gz JLFORRIEKIARAE-UHFFFAOYSA-N 2 2 299.418 3.018 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245542 274884297 /nfs/dbraw/zinc/88/42/97/274884297.db2.gz YOTKYGZFPWZQED-ZWNOBZJWSA-N 2 2 282.840 3.219 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000417346010 276045561 /nfs/dbraw/zinc/04/55/61/276045561.db2.gz SVMRULPBFRLZNT-MJBXVCDLSA-N 2 2 261.413 3.002 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000374189764 276099564 /nfs/dbraw/zinc/09/95/64/276099564.db2.gz SNUMYBGRMFWRPL-SJORKVTESA-N 2 2 289.467 3.348 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510701336 276175240 /nfs/dbraw/zinc/17/52/40/276175240.db2.gz HKPAZRBLWWXROF-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510701336 276175241 /nfs/dbraw/zinc/17/52/41/276175241.db2.gz HKPAZRBLWWXROF-ZIAGYGMSSA-N 2 2 296.405 3.360 20 0 CGADLP CCC1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450271471 276222680 /nfs/dbraw/zinc/22/26/80/276222680.db2.gz YNUICAREMIGLNA-MRXNPFEDSA-N 2 2 252.446 3.371 20 0 CGADLP CCC1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450271471 276222682 /nfs/dbraw/zinc/22/26/82/276222682.db2.gz YNUICAREMIGLNA-MRXNPFEDSA-N 2 2 252.446 3.371 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423400243 276270771 /nfs/dbraw/zinc/27/07/71/276270771.db2.gz WXQBHQDBPZRJIE-LOWVWBTDSA-N 2 2 252.427 3.274 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000417346008 276287718 /nfs/dbraw/zinc/28/77/18/276287718.db2.gz SVMRULPBFRLZNT-IHRRRGAJSA-N 2 2 261.413 3.002 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000423245620 276480193 /nfs/dbraw/zinc/48/01/93/276480193.db2.gz OYNCGZKYJMMCLH-YESZJQIVSA-N 2 2 288.435 3.014 20 0 CGADLP CC(C)(C)C1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494403263 277133876 /nfs/dbraw/zinc/13/38/76/277133876.db2.gz HFNHSVUKMAXHBG-YMAMQOFZSA-N 2 2 275.440 3.392 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000340238170 277178208 /nfs/dbraw/zinc/17/82/08/277178208.db2.gz YJNRDAHRNQNANL-ZOBUZTSGSA-N 2 2 290.451 3.225 20 0 CGADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000340238170 277178209 /nfs/dbraw/zinc/17/82/09/277178209.db2.gz YJNRDAHRNQNANL-ZOBUZTSGSA-N 2 2 290.451 3.225 20 0 CGADLP COC1([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCCC1 ZINC000421830904 277472463 /nfs/dbraw/zinc/47/24/63/277472463.db2.gz KQKOFVBPVFNMDW-HUUCEWRRSA-N 2 2 291.439 3.088 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131485972 533690223 /nfs/dbraw/zinc/69/02/23/533690223.db2.gz QPCPSIMENPIUGY-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131485972 533690228 /nfs/dbraw/zinc/69/02/28/533690228.db2.gz QPCPSIMENPIUGY-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000396585980 288014414 /nfs/dbraw/zinc/01/44/14/288014414.db2.gz AHNLGRVWIMFVMU-DYVFJYSZSA-N 2 2 254.377 3.070 20 0 CGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000397302123 288022620 /nfs/dbraw/zinc/02/26/20/288022620.db2.gz GLTDDQPEDCEVNI-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000397302123 288022621 /nfs/dbraw/zinc/02/26/21/288022621.db2.gz GLTDDQPEDCEVNI-AGIUHOORSA-N 2 2 295.496 3.246 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338777650 278273893 /nfs/dbraw/zinc/27/38/93/278273893.db2.gz ATHHFDDBYLKTRY-UNQWWWNPSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338777650 278273895 /nfs/dbraw/zinc/27/38/95/278273895.db2.gz ATHHFDDBYLKTRY-UNQWWWNPSA-N 2 2 270.420 3.005 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000063191479 278313163 /nfs/dbraw/zinc/31/31/63/278313163.db2.gz HQBZFJDMRXHAIG-RISCZKNCSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000063191479 278313164 /nfs/dbraw/zinc/31/31/64/278313164.db2.gz HQBZFJDMRXHAIG-RISCZKNCSA-N 2 2 252.789 3.042 20 0 CGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000397910337 288034548 /nfs/dbraw/zinc/03/45/48/288034548.db2.gz YBPIHCHMVSZQER-NSHDSACASA-N 2 2 252.789 3.085 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000397953201 288036280 /nfs/dbraw/zinc/03/62/80/288036280.db2.gz QLZSNXCZHDARIB-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000397953201 288036281 /nfs/dbraw/zinc/03/62/81/288036281.db2.gz QLZSNXCZHDARIB-YJBOKZPZSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932170 278489736 /nfs/dbraw/zinc/48/97/36/278489736.db2.gz WVLKJIKXFYASMV-HUUCEWRRSA-N 2 2 287.451 3.465 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2Cl)C1 ZINC000447310186 288071742 /nfs/dbraw/zinc/07/17/42/288071742.db2.gz VKBFOLCDTTUQHU-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cc2Cl)C1 ZINC000447310186 288071746 /nfs/dbraw/zinc/07/17/46/288071746.db2.gz VKBFOLCDTTUQHU-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC000447310186 288071748 /nfs/dbraw/zinc/07/17/48/288071748.db2.gz VKBFOLCDTTUQHU-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC000447310186 288071750 /nfs/dbraw/zinc/07/17/50/288071750.db2.gz VKBFOLCDTTUQHU-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CCC[N@@H+]1C ZINC000342760689 279126575 /nfs/dbraw/zinc/12/65/75/279126575.db2.gz QJGPGBUNTXGCPI-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)CCC[N@H+]1C ZINC000342760689 279126578 /nfs/dbraw/zinc/12/65/78/279126578.db2.gz QJGPGBUNTXGCPI-LYRGGWFBSA-N 2 2 278.827 3.400 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019960906 279336125 /nfs/dbraw/zinc/33/61/25/279336125.db2.gz CEUNYTAWEIIOBG-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019960906 279336127 /nfs/dbraw/zinc/33/61/27/279336127.db2.gz CEUNYTAWEIIOBG-DOTOQJQBSA-N 2 2 258.409 3.138 20 0 CGADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000527629710 288177132 /nfs/dbraw/zinc/17/71/32/288177132.db2.gz OOCABQHPIWPFQX-SJORKVTESA-N 2 2 260.425 3.254 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527632225 288178395 /nfs/dbraw/zinc/17/83/95/288178395.db2.gz RIZSNXKMWWCTJC-UHFFFAOYSA-N 2 2 288.769 3.192 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527642303 288180214 /nfs/dbraw/zinc/18/02/14/288180214.db2.gz CTDVOLZEQPRKGI-LBPRGKRZSA-N 2 2 262.388 3.132 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527642303 288180216 /nfs/dbraw/zinc/18/02/16/288180216.db2.gz CTDVOLZEQPRKGI-LBPRGKRZSA-N 2 2 262.388 3.132 20 0 CGADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)[C@@H]1C[C@H]1C1CC1 ZINC000527711134 288189401 /nfs/dbraw/zinc/18/94/01/288189401.db2.gz WGNCRBDKVTXKEE-KCXAZCMYSA-N 2 2 282.391 3.173 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000151671871 280146093 /nfs/dbraw/zinc/14/60/93/280146093.db2.gz BKGGOUQDPOPSRY-MAUKXSAKSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702457 280173752 /nfs/dbraw/zinc/17/37/52/280173752.db2.gz ZCOZEGNCTFLDCP-AEFFLSMTSA-N 2 2 281.403 3.209 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291702457 280173753 /nfs/dbraw/zinc/17/37/53/280173753.db2.gz ZCOZEGNCTFLDCP-AEFFLSMTSA-N 2 2 281.403 3.209 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000430699918 280329410 /nfs/dbraw/zinc/32/94/10/280329410.db2.gz QPTRFCIDZKMYLF-BBOXDSQKSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000430699918 280329413 /nfs/dbraw/zinc/32/94/13/280329413.db2.gz QPTRFCIDZKMYLF-BBOXDSQKSA-N 2 2 264.457 3.274 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422845653 280960715 /nfs/dbraw/zinc/96/07/15/280960715.db2.gz OMMHGGPLLGUMKW-ZNMIVQPWSA-N 2 2 294.439 3.483 20 0 CGADLP c1cn(Cc2ccccc2)c(Cn2cc[nH+]c2C2CC2)[nH+]1 ZINC000530131006 288289092 /nfs/dbraw/zinc/28/90/92/288289092.db2.gz JYPNKAVAQGUBNO-UHFFFAOYSA-N 2 2 278.359 3.054 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423363170 281027363 /nfs/dbraw/zinc/02/73/63/281027363.db2.gz NOLZGWNKXMCUJE-KKXDTOCCSA-N 2 2 297.446 3.441 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000352579942 281124481 /nfs/dbraw/zinc/12/44/81/281124481.db2.gz HMSYSXSBPFKDLC-NIKGAXFTSA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000352579942 281124485 /nfs/dbraw/zinc/12/44/85/281124485.db2.gz HMSYSXSBPFKDLC-NIKGAXFTSA-N 2 2 284.447 3.445 20 0 CGADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530213632 288300858 /nfs/dbraw/zinc/30/08/58/288300858.db2.gz BCKIYHVOQRIAQJ-CVEARBPZSA-N 2 2 274.383 3.077 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)ccc1F ZINC000530213627 288300921 /nfs/dbraw/zinc/30/09/21/288300921.db2.gz AZQMXHORYYHVJU-SJORKVTESA-N 2 2 288.410 3.459 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359945556 281272084 /nfs/dbraw/zinc/27/20/84/281272084.db2.gz XKMVJEYBMYNGIS-OKZBNKHCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359945556 281272085 /nfs/dbraw/zinc/27/20/85/281272085.db2.gz XKMVJEYBMYNGIS-OKZBNKHCSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000359734130 281272568 /nfs/dbraw/zinc/27/25/68/281272568.db2.gz UUGWDRULZAWUDF-QGZVFWFLSA-N 2 2 258.409 3.058 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCC1(C)C)CCC2 ZINC000336580184 281548564 /nfs/dbraw/zinc/54/85/64/281548564.db2.gz JIEYEXGDBPRGAC-ZIAGYGMSSA-N 2 2 261.413 3.237 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000531702372 288341108 /nfs/dbraw/zinc/34/11/08/288341108.db2.gz RGHJBPYOOHMDKR-CYBMUJFWSA-N 2 2 261.369 3.170 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000531719336 288342635 /nfs/dbraw/zinc/34/26/35/288342635.db2.gz VGHKWPBIXAUXNV-MRXNPFEDSA-N 2 2 296.499 3.434 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CCOCC1 ZINC000532188595 288353775 /nfs/dbraw/zinc/35/37/75/288353775.db2.gz SBFYATLZHIIFEF-MRXNPFEDSA-N 2 2 282.472 3.046 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000532195065 288354827 /nfs/dbraw/zinc/35/48/27/288354827.db2.gz YGRQNOOFXJYIBW-QGZVFWFLSA-N 2 2 286.423 3.435 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000532442625 288361101 /nfs/dbraw/zinc/36/11/01/288361101.db2.gz WSXZNHRFRPFJAW-GOSISDBHSA-N 2 2 274.452 3.248 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000532541049 288366350 /nfs/dbraw/zinc/36/63/50/288366350.db2.gz FEHCXLNLCZNNBF-PUTMMCKPSA-N 2 2 288.410 3.131 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000532541049 288366351 /nfs/dbraw/zinc/36/63/51/288366351.db2.gz FEHCXLNLCZNNBF-PUTMMCKPSA-N 2 2 288.410 3.131 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000296562211 288720875 /nfs/dbraw/zinc/72/08/75/288720875.db2.gz ULUUJJISPPFFAO-CQSZACIVSA-N 2 2 286.423 3.446 20 0 CGADLP CCc1cnc(C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)o1 ZINC000543991285 288826720 /nfs/dbraw/zinc/82/67/20/288826720.db2.gz RAFJHNQMSKTKLX-UHFFFAOYSA-N 2 2 285.391 3.320 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146625 289036420 /nfs/dbraw/zinc/03/64/20/289036420.db2.gz VNRMQZHOHMBPCH-DKIMLUQUSA-N 2 2 272.436 3.253 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549146625 289036421 /nfs/dbraw/zinc/03/64/21/289036421.db2.gz VNRMQZHOHMBPCH-DKIMLUQUSA-N 2 2 272.436 3.253 20 0 CGADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC13CCCC3)CCCC2 ZINC000551175281 289100770 /nfs/dbraw/zinc/10/07/70/289100770.db2.gz KKYYLYHORYCAII-OAHLLOKOSA-N 2 2 273.424 3.422 20 0 CGADLP Cc1cccc(C)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551220480 289102400 /nfs/dbraw/zinc/10/24/00/289102400.db2.gz DBTAQJAVJAJLQX-UHFFFAOYSA-N 2 2 269.392 3.126 20 0 CGADLP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551572883 289123294 /nfs/dbraw/zinc/12/32/94/289123294.db2.gz YATBAQLTPNHYJL-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000551788234 289132150 /nfs/dbraw/zinc/13/21/50/289132150.db2.gz ACZBGKCEPJYXBX-BEFAXECRSA-N 2 2 286.463 3.248 20 0 CGADLP Cc1ccccc1C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000551788234 289132152 /nfs/dbraw/zinc/13/21/52/289132152.db2.gz ACZBGKCEPJYXBX-BEFAXECRSA-N 2 2 286.463 3.248 20 0 CGADLP C[C@@]1(F)CCC[NH+](CCC[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451115217 289182129 /nfs/dbraw/zinc/18/21/29/289182129.db2.gz NQBKBGDWUNSMNL-HUUCEWRRSA-N 2 2 274.399 3.025 20 0 CGADLP CCC(CC)(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000555339753 289340005 /nfs/dbraw/zinc/34/00/05/289340005.db2.gz KNUCWHAKTZSXAE-QGZVFWFLSA-N 2 2 296.499 3.247 20 0 CGADLP CCC(CC)(CC)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000555339753 289340009 /nfs/dbraw/zinc/34/00/09/289340009.db2.gz KNUCWHAKTZSXAE-QGZVFWFLSA-N 2 2 296.499 3.247 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000556155891 289373962 /nfs/dbraw/zinc/37/39/62/289373962.db2.gz LSCKAYXRYVABCI-WDNDVIMCSA-N 2 2 287.407 3.041 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213137 289377673 /nfs/dbraw/zinc/37/76/73/289377673.db2.gz RATBDGAUHFLWDZ-JSGCOSHPSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000556213137 289377674 /nfs/dbraw/zinc/37/76/74/289377674.db2.gz RATBDGAUHFLWDZ-JSGCOSHPSA-N 2 2 252.446 3.131 20 0 CGADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[NH+](C)C ZINC000558257035 289483881 /nfs/dbraw/zinc/48/38/81/289483881.db2.gz LLZYSZKHIOWFKP-CYBMUJFWSA-N 2 2 289.250 3.466 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccco1 ZINC000562962879 289747860 /nfs/dbraw/zinc/74/78/60/289747860.db2.gz XHFULXSEKBENKL-KDOFPFPSSA-N 2 2 286.419 3.453 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccco1 ZINC000562962881 289747863 /nfs/dbraw/zinc/74/78/63/289747863.db2.gz XHFULXSEKBENKL-RDTXWAMCSA-N 2 2 286.419 3.453 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000423555164 290042739 /nfs/dbraw/zinc/04/27/39/290042739.db2.gz LVXBZCAAZPBVGM-RYUDHWBXSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cc(F)ccc1F ZINC000420364729 290061815 /nfs/dbraw/zinc/06/18/15/290061815.db2.gz KPJPLLPCRJYREC-KIGUWFBYSA-N 2 2 268.351 3.002 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154606878 293197764 /nfs/dbraw/zinc/19/77/64/293197764.db2.gz KBUMVKPXWLGURE-AAEUAGOBSA-N 2 2 295.496 3.494 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154606878 293197765 /nfs/dbraw/zinc/19/77/65/293197765.db2.gz KBUMVKPXWLGURE-AAEUAGOBSA-N 2 2 295.496 3.494 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000516199894 295240694 /nfs/dbraw/zinc/24/06/94/295240694.db2.gz YEKIDBYDTDUMNH-WBAXXEDZSA-N 2 2 290.451 3.466 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000152823314 321707033 /nfs/dbraw/zinc/70/70/33/321707033.db2.gz QBLFLCNAVNSFBM-LSDHHAIUSA-N 2 2 278.440 3.119 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOC(C)(C)C)n1-c1ccccc1 ZINC000308724103 321956510 /nfs/dbraw/zinc/95/65/10/321956510.db2.gz FTEFRZMZSWZBAL-UHFFFAOYSA-N 2 2 287.407 3.085 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000564105610 322021128 /nfs/dbraw/zinc/02/11/28/322021128.db2.gz CFOWIYYJTYINKX-NVXWUHKLSA-N 2 2 272.436 3.428 20 0 CGADLP CC(C)C1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564105610 322021130 /nfs/dbraw/zinc/02/11/30/322021130.db2.gz CFOWIYYJTYINKX-NVXWUHKLSA-N 2 2 272.436 3.428 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)n1C ZINC000565237303 322068799 /nfs/dbraw/zinc/06/87/99/322068799.db2.gz HQZJDIQBJLEAPV-UHFFFAOYSA-N 2 2 289.810 3.203 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCOc2cccc3ccccc32)n1C ZINC000565243081 322069984 /nfs/dbraw/zinc/06/99/84/322069984.db2.gz VQLGJLBQUIWKHK-UHFFFAOYSA-N 2 2 295.386 3.050 20 0 CGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[NH+](C)C)cc1 ZINC000566038711 322101852 /nfs/dbraw/zinc/10/18/52/322101852.db2.gz HNBDPCZCZZAHRC-LJQANCHMSA-N 2 2 298.430 3.130 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000568165474 322195545 /nfs/dbraw/zinc/19/55/45/322195545.db2.gz ODTSYHNVIAVLSC-MPNRVQBSSA-N 2 2 281.403 3.313 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000568165474 322195548 /nfs/dbraw/zinc/19/55/48/322195548.db2.gz ODTSYHNVIAVLSC-MPNRVQBSSA-N 2 2 281.403 3.313 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568356952 322205780 /nfs/dbraw/zinc/20/57/80/322205780.db2.gz LBBVBLDSQOIUAZ-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568356952 322205781 /nfs/dbraw/zinc/20/57/81/322205781.db2.gz LBBVBLDSQOIUAZ-ZIAGYGMSSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568356950 322205893 /nfs/dbraw/zinc/20/58/93/322205893.db2.gz LBBVBLDSQOIUAZ-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568356950 322205895 /nfs/dbraw/zinc/20/58/95/322205895.db2.gz LBBVBLDSQOIUAZ-KGLIPLIRSA-N 2 2 252.446 3.418 20 0 CGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410625 322246296 /nfs/dbraw/zinc/24/62/96/322246296.db2.gz CLBLBZPWPSWMEA-BLLLJJGKSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410625 322246297 /nfs/dbraw/zinc/24/62/97/322246297.db2.gz CLBLBZPWPSWMEA-BLLLJJGKSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410625 322246298 /nfs/dbraw/zinc/24/62/98/322246298.db2.gz CLBLBZPWPSWMEA-BLLLJJGKSA-N 2 2 296.842 3.121 20 0 CGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000569410625 322246299 /nfs/dbraw/zinc/24/62/99/322246299.db2.gz CLBLBZPWPSWMEA-BLLLJJGKSA-N 2 2 296.842 3.121 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000569941420 322261295 /nfs/dbraw/zinc/26/12/95/322261295.db2.gz PKCYLEIMSNTNSL-UHFFFAOYSA-N 2 2 288.435 3.177 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000569941420 322261297 /nfs/dbraw/zinc/26/12/97/322261297.db2.gz PKCYLEIMSNTNSL-UHFFFAOYSA-N 2 2 288.435 3.177 20 0 CGADLP CC(C)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000570250839 322268679 /nfs/dbraw/zinc/26/86/79/322268679.db2.gz JNGZXHKJGHAUDS-SFHVURJKSA-N 2 2 283.419 3.456 20 0 CGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1 ZINC000571316191 322295666 /nfs/dbraw/zinc/29/56/66/322295666.db2.gz XFGJMFDXTMOPRJ-WOSRLPQWSA-N 2 2 298.858 3.082 20 0 CGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1 ZINC000571316191 322295667 /nfs/dbraw/zinc/29/56/67/322295667.db2.gz XFGJMFDXTMOPRJ-WOSRLPQWSA-N 2 2 298.858 3.082 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000571469468 322299765 /nfs/dbraw/zinc/29/97/65/322299765.db2.gz YBBOAQFVHJUOHX-CVEARBPZSA-N 2 2 269.392 3.397 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)n1-c1ccccc1 ZINC000572060579 322318442 /nfs/dbraw/zinc/31/84/42/322318442.db2.gz PSCYNCDRYWGFQZ-FVQHAEBGSA-N 2 2 267.376 3.069 20 0 CGADLP Cc1ccc(COc2ccc([C@H](C)[NH3+])cc2)c(C)[nH+]1 ZINC000573235788 322377174 /nfs/dbraw/zinc/37/71/74/322377174.db2.gz OZZWPQXDOCWRPI-LBPRGKRZSA-N 2 2 256.349 3.297 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000387527295 327298321 /nfs/dbraw/zinc/29/83/21/327298321.db2.gz PHXLYYXJHOWTIR-SFHVURJKSA-N 2 2 299.418 3.339 20 0 CGADLP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583181374 329348514 /nfs/dbraw/zinc/34/85/14/329348514.db2.gz KOBLTEOUGDRZCA-CZUORRHYSA-N 2 2 288.416 3.227 20 0 CGADLP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583181374 329348515 /nfs/dbraw/zinc/34/85/15/329348515.db2.gz KOBLTEOUGDRZCA-CZUORRHYSA-N 2 2 288.416 3.227 20 0 CGADLP Cn1c[nH+]cc1C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000583722446 329455377 /nfs/dbraw/zinc/45/53/77/329455377.db2.gz XFFMJYBXCABQIJ-UHFFFAOYSA-N 2 2 290.436 3.214 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000576314066 335188380 /nfs/dbraw/zinc/18/83/80/335188380.db2.gz CITZNDZRGSFHGB-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000576314066 335188381 /nfs/dbraw/zinc/18/83/81/335188381.db2.gz CITZNDZRGSFHGB-SPUZQDLCSA-N 2 2 290.426 3.377 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCC[NH+]1CCSCC1 ZINC000576341799 335191608 /nfs/dbraw/zinc/19/16/08/335191608.db2.gz BLQYAVCTSMGDQH-UHFFFAOYSA-N 2 2 287.432 3.004 20 0 CGADLP CCc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000177742848 335383116 /nfs/dbraw/zinc/38/31/16/335383116.db2.gz UVDDNARPAJJDEH-UHFFFAOYSA-N 2 2 295.386 3.377 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H](F)C2)c[nH+]1 ZINC000577870816 335415250 /nfs/dbraw/zinc/41/52/50/335415250.db2.gz SPHOBNRLYGHAGU-LSDHHAIUSA-N 2 2 250.361 3.193 20 0 CGADLP Cc1csc([C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC000581278424 336035670 /nfs/dbraw/zinc/03/56/70/336035670.db2.gz YUBSQVWZIIVLEE-HUUCEWRRSA-N 2 2 293.480 3.367 20 0 CGADLP Cc1csc([C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC000581278424 336035672 /nfs/dbraw/zinc/03/56/72/336035672.db2.gz YUBSQVWZIIVLEE-HUUCEWRRSA-N 2 2 293.480 3.367 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000382031006 336080574 /nfs/dbraw/zinc/08/05/74/336080574.db2.gz DJDGBCRSHJJEBU-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000382031006 336080576 /nfs/dbraw/zinc/08/05/76/336080576.db2.gz DJDGBCRSHJJEBU-ZOBUZTSGSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000382130823 336082453 /nfs/dbraw/zinc/08/24/53/336082453.db2.gz OPCKXVCUYMUMNS-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000382130823 336082454 /nfs/dbraw/zinc/08/24/54/336082454.db2.gz OPCKXVCUYMUMNS-UONOGXRCSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000382130824 336082635 /nfs/dbraw/zinc/08/26/35/336082635.db2.gz OPCKXVCUYMUMNS-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000382130824 336082637 /nfs/dbraw/zinc/08/26/37/336082637.db2.gz OPCKXVCUYMUMNS-ZIAGYGMSSA-N 2 2 252.427 3.273 20 0 CGADLP Cc1[nH]c2ccc(Cn3c(C)[nH+]c4c3CCCC4)cc2[nH+]1 ZINC000581618937 336113791 /nfs/dbraw/zinc/11/37/91/336113791.db2.gz SPOMCCQSMMWZQA-UHFFFAOYSA-N 2 2 280.375 3.303 20 0 CGADLP C[N@H+](CC[NH2+]Cc1ccc2[nH]ccc2c1)Cc1ccccc1 ZINC000386832651 336180377 /nfs/dbraw/zinc/18/03/77/336180377.db2.gz HZSPQCUKWLZESQ-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[N@@H+](CC[NH2+]Cc1ccc2[nH]ccc2c1)Cc1ccccc1 ZINC000386832651 336180378 /nfs/dbraw/zinc/18/03/78/336180378.db2.gz HZSPQCUKWLZESQ-UHFFFAOYSA-N 2 2 293.414 3.390 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000386949605 336182764 /nfs/dbraw/zinc/18/27/64/336182764.db2.gz XEIQFYIUWQLCAT-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000386949605 336182766 /nfs/dbraw/zinc/18/27/66/336182766.db2.gz XEIQFYIUWQLCAT-OAHLLOKOSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274981482 519617544 /nfs/dbraw/zinc/61/75/44/519617544.db2.gz ZJILWOSUTVIGGG-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274981482 519617549 /nfs/dbraw/zinc/61/75/49/519617549.db2.gz ZJILWOSUTVIGGG-LBPRGKRZSA-N 2 2 269.820 3.116 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)c2sccc21 ZINC000414129629 533765917 /nfs/dbraw/zinc/76/59/17/533765917.db2.gz VOMHFEDXIYLTMB-FZMZJTMJSA-N 2 2 275.421 3.252 20 0 CGADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427878950 533830709 /nfs/dbraw/zinc/83/07/09/533830709.db2.gz RTUKULJEJYNFJL-DOTOQJQBSA-N 2 2 283.419 3.117 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000414062708 533877712 /nfs/dbraw/zinc/87/77/12/533877712.db2.gz LUJKFRAPJFBEMI-ZDUSSCGKSA-N 2 2 298.415 3.357 20 0 CGADLP Cc1cc2[nH]c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cc2c(C)c1 ZINC000359077373 534057830 /nfs/dbraw/zinc/05/78/30/534057830.db2.gz CXAORFHPGIZBOA-AWEZNQCLSA-N 2 2 296.418 3.407 20 0 CGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@H+](C)C1CC1 ZINC000367615475 534084103 /nfs/dbraw/zinc/08/41/03/534084103.db2.gz KWHDOORZCWDJCW-BBRMVZONSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000367615475 534084121 /nfs/dbraw/zinc/08/41/21/534084121.db2.gz KWHDOORZCWDJCW-BBRMVZONSA-N 2 2 290.455 3.103 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC1CCCCC1 ZINC000368089206 534123224 /nfs/dbraw/zinc/12/32/24/534123224.db2.gz KFRKCFQTOIBAAD-DZGCQCFKSA-N 2 2 275.440 3.463 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CC1CCCCC1 ZINC000368089206 534123230 /nfs/dbraw/zinc/12/32/30/534123230.db2.gz KFRKCFQTOIBAAD-DZGCQCFKSA-N 2 2 275.440 3.463 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000178312370 534130052 /nfs/dbraw/zinc/13/00/52/534130052.db2.gz TXBCXDWDFIQWNN-GOSISDBHSA-N 2 2 272.436 3.002 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000157394205 534253449 /nfs/dbraw/zinc/25/34/49/534253449.db2.gz BGAKDMDEODQAQN-HNNXBMFYSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000156765559 519817675 /nfs/dbraw/zinc/81/76/75/519817675.db2.gz STVMSIHZSDCVKQ-MRXNPFEDSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000156765559 519817676 /nfs/dbraw/zinc/81/76/76/519817676.db2.gz STVMSIHZSDCVKQ-MRXNPFEDSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)c1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000150892998 519878122 /nfs/dbraw/zinc/87/81/22/519878122.db2.gz HLGVMGKJPAOFGD-OAHLLOKOSA-N 2 2 288.439 3.055 20 0 CGADLP Fc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000162206377 534498965 /nfs/dbraw/zinc/49/89/65/534498965.db2.gz YBKREOUICWOVPN-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP Fc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000162206377 534498974 /nfs/dbraw/zinc/49/89/74/534498974.db2.gz YBKREOUICWOVPN-UHFFFAOYSA-N 2 2 276.399 3.060 20 0 CGADLP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[NH+]3CCCCC3)C2)c1 ZINC000368514244 534509651 /nfs/dbraw/zinc/50/96/51/534509651.db2.gz MCQZFCINWJSZTF-AEFFLSMTSA-N 2 2 287.451 3.183 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCCC1(F)F ZINC000450637599 536363223 /nfs/dbraw/zinc/36/32/23/536363223.db2.gz QYUOHZACZOGTAB-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCCC1(F)F ZINC000450637599 536363225 /nfs/dbraw/zinc/36/32/25/536363225.db2.gz QYUOHZACZOGTAB-CYBMUJFWSA-N 2 2 271.355 3.031 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)F)cc1 ZINC000183983992 522804064 /nfs/dbraw/zinc/80/40/64/522804064.db2.gz OUUSCPTUBFAYNO-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)F)cc1 ZINC000183983992 522804079 /nfs/dbraw/zinc/80/40/79/522804079.db2.gz OUUSCPTUBFAYNO-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000309643471 523779360 /nfs/dbraw/zinc/77/93/60/523779360.db2.gz LKYXQISZPMQPOK-UHFFFAOYSA-N 2 2 279.236 3.239 20 0 CGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000049553066 524167617 /nfs/dbraw/zinc/16/76/17/524167617.db2.gz WZELQQOMOXUQJR-NEPJUHHUSA-N 2 2 254.805 3.331 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367540154 534773968 /nfs/dbraw/zinc/77/39/68/534773968.db2.gz IMORGHFVGPFICI-OTWHNJEPSA-N 2 2 295.430 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367540154 534773973 /nfs/dbraw/zinc/77/39/73/534773973.db2.gz IMORGHFVGPFICI-OTWHNJEPSA-N 2 2 295.430 3.460 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151542513 525931107 /nfs/dbraw/zinc/93/11/07/525931107.db2.gz ZYKLYMOEVYCXLV-HNNXBMFYSA-N 2 2 292.386 3.427 20 0 CGADLP c1c[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000067695105 526406024 /nfs/dbraw/zinc/40/60/24/526406024.db2.gz YTKZJPCOJSQBQY-UHFFFAOYSA-N 2 2 298.434 3.076 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025214 527834484 /nfs/dbraw/zinc/83/44/84/527834484.db2.gz AURBRQSDNYMPBY-ZBFHGGJFSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025214 527834487 /nfs/dbraw/zinc/83/44/87/527834487.db2.gz AURBRQSDNYMPBY-ZBFHGGJFSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025214 527834490 /nfs/dbraw/zinc/83/44/90/527834490.db2.gz AURBRQSDNYMPBY-ZBFHGGJFSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2F)[C@H](C)C1 ZINC000449025214 527834494 /nfs/dbraw/zinc/83/44/94/527834494.db2.gz AURBRQSDNYMPBY-ZBFHGGJFSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025213 527834914 /nfs/dbraw/zinc/83/49/14/527834914.db2.gz AURBRQSDNYMPBY-HOCLYGCPSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025213 527834916 /nfs/dbraw/zinc/83/49/16/527834916.db2.gz AURBRQSDNYMPBY-HOCLYGCPSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025213 527834920 /nfs/dbraw/zinc/83/49/20/527834920.db2.gz AURBRQSDNYMPBY-HOCLYGCPSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2F)[C@@H](C)C1 ZINC000449025213 527834923 /nfs/dbraw/zinc/83/49/23/527834923.db2.gz AURBRQSDNYMPBY-HOCLYGCPSA-N 2 2 278.415 3.296 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccoc1 ZINC000423236282 527847528 /nfs/dbraw/zinc/84/75/28/527847528.db2.gz NYTUSXXNLHXORL-GJZGRUSLSA-N 2 2 250.386 3.099 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000364379324 528109555 /nfs/dbraw/zinc/10/95/55/528109555.db2.gz XEIIBFRDYYQHOF-RDJZCZTQSA-N 2 2 296.418 3.349 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000427863721 528300687 /nfs/dbraw/zinc/30/06/87/528300687.db2.gz IXXBINHXXJPSGR-NEPJUHHUSA-N 2 2 290.436 3.129 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423243820 528332486 /nfs/dbraw/zinc/33/24/86/528332486.db2.gz KLSLMVDSDHYBPN-LBPRGKRZSA-N 2 2 289.448 3.379 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000423242850 528334194 /nfs/dbraw/zinc/33/41/94/528334194.db2.gz JKWCXUDDMRKGID-GFCCVEGCSA-N 2 2 276.380 3.010 20 0 CGADLP CC(C)c1nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000439132761 528363044 /nfs/dbraw/zinc/36/30/44/528363044.db2.gz YNYBZQPJVZVCPW-RHSMWYFYSA-N 2 2 298.434 3.125 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423384588 528421720 /nfs/dbraw/zinc/42/17/20/528421720.db2.gz QDEGWTWYTPKRDJ-RISCZKNCSA-N 2 2 254.805 3.379 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414128443 528438628 /nfs/dbraw/zinc/43/86/28/528438628.db2.gz RZZPJVBXRGZBDV-GOSISDBHSA-N 2 2 285.435 3.210 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423449548 528475659 /nfs/dbraw/zinc/47/56/59/528475659.db2.gz RUFKPCSOTHXPLW-AXFHLTTASA-N 2 2 270.804 3.125 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423313472 528515793 /nfs/dbraw/zinc/51/57/93/528515793.db2.gz UIRBOJPPGDGTHU-CYBMUJFWSA-N 2 2 252.377 3.093 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423314253 528518008 /nfs/dbraw/zinc/51/80/08/528518008.db2.gz VTISEQYELBVIAF-ZDUSSCGKSA-N 2 2 284.856 3.466 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423233546 528607404 /nfs/dbraw/zinc/60/74/04/528607404.db2.gz DQSNTFYDYYUCML-KSSFIOAISA-N 2 2 284.403 3.436 20 0 CGADLP CC(C)Cc1ncc(C[NH+]2CCC([NH2+]C(C)C)CC2)s1 ZINC000179838356 528667328 /nfs/dbraw/zinc/66/73/28/528667328.db2.gz BQSPUXBHBIKKAV-UHFFFAOYSA-N 2 2 295.496 3.304 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423296961 528820553 /nfs/dbraw/zinc/82/05/53/528820553.db2.gz ICNLZOUJNFZORV-ONGXEEELSA-N 2 2 274.330 3.272 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423297674 528957237 /nfs/dbraw/zinc/95/72/37/528957237.db2.gz LHORTLNYUHBVJV-TZMCWYRMSA-N 2 2 282.428 3.470 20 0 CGADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCC1 ZINC000449155679 529155787 /nfs/dbraw/zinc/15/57/87/529155787.db2.gz PZSMNWKEJYFCAT-MRXNPFEDSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(C)ccc1OC ZINC000414127079 529169564 /nfs/dbraw/zinc/16/95/64/529169564.db2.gz PFWYXSWVYNNZDK-MRXNPFEDSA-N 2 2 287.407 3.021 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425944394 529171797 /nfs/dbraw/zinc/17/17/97/529171797.db2.gz WZEDNXVFIYUTSD-IAQYHMDHSA-N 2 2 270.367 3.203 20 0 CGADLP CCSCC[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000371908701 529180051 /nfs/dbraw/zinc/18/00/51/529180051.db2.gz GRABNDWSJAJCJN-UHFFFAOYSA-N 2 2 296.455 3.133 20 0 CGADLP CCc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000314414964 535936021 /nfs/dbraw/zinc/93/60/21/535936021.db2.gz YFWOULMEDOWSOO-RBUKOAKNSA-N 2 2 280.415 3.176 20 0 CGADLP CCc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000314414964 535936026 /nfs/dbraw/zinc/93/60/26/535936026.db2.gz YFWOULMEDOWSOO-RBUKOAKNSA-N 2 2 280.415 3.176 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494946421 536174757 /nfs/dbraw/zinc/17/47/57/536174757.db2.gz HVINACGSESURJD-NJELEJDNSA-N 2 2 296.418 3.191 20 0 CGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494946421 536174762 /nfs/dbraw/zinc/17/47/62/536174762.db2.gz HVINACGSESURJD-NJELEJDNSA-N 2 2 296.418 3.191 20 0 CGADLP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451566439 536750576 /nfs/dbraw/zinc/75/05/76/536750576.db2.gz MJNISUZTBYJFGG-YJBOKZPZSA-N 2 2 299.418 3.038 20 0 CGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000451566439 536750577 /nfs/dbraw/zinc/75/05/77/536750577.db2.gz MJNISUZTBYJFGG-YJBOKZPZSA-N 2 2 299.418 3.038 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876086 572343682 /nfs/dbraw/zinc/34/36/82/572343682.db2.gz PASFBOFEOPNVLP-XNJGSVPQSA-N 2 2 294.389 3.490 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225876086 572343686 /nfs/dbraw/zinc/34/36/86/572343686.db2.gz PASFBOFEOPNVLP-XNJGSVPQSA-N 2 2 294.389 3.490 20 0 CGADLP c1cn([C@@H]2CCC[N@@H+](CCOC3CCCCCC3)C2)c[nH+]1 ZINC000740876970 572465167 /nfs/dbraw/zinc/46/51/67/572465167.db2.gz QSYNYAFKBUJWHK-MRXNPFEDSA-N 2 2 291.439 3.259 20 0 CGADLP c1cn([C@@H]2CCC[N@H+](CCOC3CCCCCC3)C2)c[nH+]1 ZINC000740876970 572465170 /nfs/dbraw/zinc/46/51/70/572465170.db2.gz QSYNYAFKBUJWHK-MRXNPFEDSA-N 2 2 291.439 3.259 20 0 CGADLP FC1(F)CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000398071336 572495804 /nfs/dbraw/zinc/49/58/04/572495804.db2.gz DPCLCWMNXIBFQV-CQSZACIVSA-N 2 2 277.318 3.150 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000398071676 572496154 /nfs/dbraw/zinc/49/61/54/572496154.db2.gz DSXHYIOLSLXWHL-QFBILLFUSA-N 2 2 295.430 3.082 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccn1 ZINC000398071676 572496157 /nfs/dbraw/zinc/49/61/57/572496157.db2.gz DSXHYIOLSLXWHL-QFBILLFUSA-N 2 2 295.430 3.082 20 0 CGADLP Cc1cccn2c(C[NH2+]C[C@H](C)C(C)(C)C)c[nH+]c12 ZINC000742371246 572569470 /nfs/dbraw/zinc/56/94/70/572569470.db2.gz LUZIBVLVXITQRQ-ZDUSSCGKSA-N 2 2 259.397 3.415 20 0 CGADLP Cc1ccc(F)c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000735084031 572700132 /nfs/dbraw/zinc/70/01/32/572700132.db2.gz BDPFSEXYTWVSFK-UHFFFAOYSA-N 2 2 296.349 3.005 20 0 CGADLP c1cn(CCC[NH2+]Cc2csc3ccccc23)c[nH+]1 ZINC000049943194 618031523 /nfs/dbraw/zinc/03/15/23/618031523.db2.gz XQAIHWBZTNIKEB-UHFFFAOYSA-N 2 2 271.389 3.278 20 0 CGADLP Cc1cc(NC2CC[NH+](C3CC3)CC2)nc(C2CCC2)[nH+]1 ZINC000891662323 618244617 /nfs/dbraw/zinc/24/46/17/618244617.db2.gz MCAAXIXOWICEST-UHFFFAOYSA-N 2 2 286.423 3.091 20 0 CGADLP CC(C)Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000891671217 618245088 /nfs/dbraw/zinc/24/50/88/618245088.db2.gz NMFPXBRWEDUSPC-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000891671217 618245089 /nfs/dbraw/zinc/24/50/89/618245089.db2.gz NMFPXBRWEDUSPC-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000891671217 618245090 /nfs/dbraw/zinc/24/50/90/618245090.db2.gz NMFPXBRWEDUSPC-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP CC(C)Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000891671217 618245091 /nfs/dbraw/zinc/24/50/91/618245091.db2.gz NMFPXBRWEDUSPC-QGZVFWFLSA-N 2 2 289.467 3.054 20 0 CGADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926367950 618568378 /nfs/dbraw/zinc/56/83/78/618568378.db2.gz XMSRWBFDVLQPOE-LSDHHAIUSA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926367950 618568382 /nfs/dbraw/zinc/56/83/82/618568382.db2.gz XMSRWBFDVLQPOE-LSDHHAIUSA-N 2 2 286.410 3.418 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892568264 618864210 /nfs/dbraw/zinc/86/42/10/618864210.db2.gz XVXJDELPBISFJA-LKSINWNRSA-N 2 2 291.345 3.086 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccccc1 ZINC000925645580 619104250 /nfs/dbraw/zinc/10/42/50/619104250.db2.gz QRMXDVIBYWCDRC-SJCJKPOMSA-N 2 2 290.357 3.185 20 0 CGADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925676116 619124972 /nfs/dbraw/zinc/12/49/72/619124972.db2.gz PNPMVRJTKKOZSI-HOTGVXAUSA-N 2 2 274.383 3.077 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175362 619179061 /nfs/dbraw/zinc/17/90/61/619179061.db2.gz UNDNLRHMEOPXNP-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175362 619179063 /nfs/dbraw/zinc/17/90/63/619179063.db2.gz UNDNLRHMEOPXNP-WMLDXEAASA-N 2 2 276.424 3.033 20 0 CGADLP CCCC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000236799037 619238631 /nfs/dbraw/zinc/23/86/31/619238631.db2.gz AGCURBUKENCIBM-FHERZECASA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H]([NH3+])[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000261613721 619292613 /nfs/dbraw/zinc/29/26/13/619292613.db2.gz SXRTVYWHDLRWSQ-KGLIPLIRSA-N 2 2 254.377 3.101 20 0 CGADLP Oc1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000894171250 619404797 /nfs/dbraw/zinc/40/47/97/619404797.db2.gz FFQUTSSSLGPYGV-UHFFFAOYSA-N 2 2 294.826 3.152 20 0 CGADLP CC(C)n1cncc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895380278 619817265 /nfs/dbraw/zinc/81/72/65/619817265.db2.gz NZLNACPDKWZXOK-WBVHZDCISA-N 2 2 292.471 3.016 20 0 CGADLP CC(C)n1cncc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895380278 619817266 /nfs/dbraw/zinc/81/72/66/619817266.db2.gz NZLNACPDKWZXOK-WBVHZDCISA-N 2 2 292.471 3.016 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706463 619873017 /nfs/dbraw/zinc/87/30/17/619873017.db2.gz LBTZQHXOIIRAFF-BZUAXINKSA-N 2 2 287.432 3.108 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000895827449 619889253 /nfs/dbraw/zinc/88/92/53/619889253.db2.gz KEHUYNJJOZKZGV-UHFFFAOYSA-N 2 2 262.397 3.038 20 0 CGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841812 619892097 /nfs/dbraw/zinc/89/20/97/619892097.db2.gz IMDNXTKJYWHHBX-WFASDCNBSA-N 2 2 298.352 3.289 20 0 CGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841812 619892101 /nfs/dbraw/zinc/89/21/01/619892101.db2.gz IMDNXTKJYWHHBX-WFASDCNBSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841812 619892103 /nfs/dbraw/zinc/89/21/03/619892103.db2.gz IMDNXTKJYWHHBX-WFASDCNBSA-N 2 2 298.352 3.289 20 0 CGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)F)c(F)c3)CC[C@@H]21 ZINC000895841812 619892105 /nfs/dbraw/zinc/89/21/05/619892105.db2.gz IMDNXTKJYWHHBX-WFASDCNBSA-N 2 2 298.352 3.289 20 0 CGADLP CC[C@H](C)[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)OC ZINC000896193411 619964609 /nfs/dbraw/zinc/96/46/09/619964609.db2.gz BIFFUXBTWHLHBB-HOCLYGCPSA-N 2 2 291.439 3.019 20 0 CGADLP CC1([NH+]2CCC2)CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000896256866 619979753 /nfs/dbraw/zinc/97/97/53/619979753.db2.gz IUWDTHVTIHSAML-UHFFFAOYSA-N 2 2 284.407 3.382 20 0 CGADLP c1cn(CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000034994711 620216783 /nfs/dbraw/zinc/21/67/83/620216783.db2.gz SXKTVWLOVVVZSP-BZUAXINKSA-N 2 2 261.413 3.222 20 0 CGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC[NH3+])C1CC1 ZINC000262903963 620277259 /nfs/dbraw/zinc/27/72/59/620277259.db2.gz DWGOJOUSKAGRLU-JTQLQIEISA-N 2 2 272.314 3.190 20 0 CGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC[NH3+])C1CC1 ZINC000262903963 620277262 /nfs/dbraw/zinc/27/72/62/620277262.db2.gz DWGOJOUSKAGRLU-JTQLQIEISA-N 2 2 272.314 3.190 20 0 CGADLP c1c2ccccc2oc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054392 620290503 /nfs/dbraw/zinc/29/05/03/620290503.db2.gz FRGZDPBREONAKL-UHFFFAOYSA-N 2 2 270.376 3.149 20 0 CGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000897438759 620335402 /nfs/dbraw/zinc/33/54/02/620335402.db2.gz HSLCZYYLYXYKED-UHFFFAOYSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032061 620470010 /nfs/dbraw/zinc/47/00/10/620470010.db2.gz URPYONABTIHUSV-IUODEOHRSA-N 2 2 286.410 3.274 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000898032061 620470014 /nfs/dbraw/zinc/47/00/14/620470014.db2.gz URPYONABTIHUSV-IUODEOHRSA-N 2 2 286.410 3.274 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000898034806 620470506 /nfs/dbraw/zinc/47/05/06/620470506.db2.gz XPVMBUIIFIHFBC-QGZVFWFLSA-N 2 2 287.451 3.255 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000898034806 620470512 /nfs/dbraw/zinc/47/05/12/620470512.db2.gz XPVMBUIIFIHFBC-QGZVFWFLSA-N 2 2 287.451 3.255 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000898034223 620470587 /nfs/dbraw/zinc/47/05/87/620470587.db2.gz KMFSLNGMADMXTR-QWHCGFSZSA-N 2 2 292.389 3.429 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000898034223 620470594 /nfs/dbraw/zinc/47/05/94/620470594.db2.gz KMFSLNGMADMXTR-QWHCGFSZSA-N 2 2 292.389 3.429 20 0 CGADLP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cnc1Cl ZINC000898308259 620510285 /nfs/dbraw/zinc/51/02/85/620510285.db2.gz VKABNIDUKFOTHP-UHFFFAOYSA-N 2 2 283.847 3.063 20 0 CGADLP Cc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cnc1Cl ZINC000898308259 620510288 /nfs/dbraw/zinc/51/02/88/620510288.db2.gz VKABNIDUKFOTHP-UHFFFAOYSA-N 2 2 283.847 3.063 20 0 CGADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCCC2(CCC2)O1 ZINC000927010484 620560598 /nfs/dbraw/zinc/56/05/98/620560598.db2.gz LEVATOXCWPQNRA-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCCC2(CCC2)O1 ZINC000927010484 620560600 /nfs/dbraw/zinc/56/06/00/620560600.db2.gz LEVATOXCWPQNRA-IXDOHACOSA-N 2 2 292.467 3.085 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000902412808 621301621 /nfs/dbraw/zinc/30/16/21/621301621.db2.gz FLGVODXUVWODFX-MRVPVSSYSA-N 2 2 290.741 3.083 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902431498 621316258 /nfs/dbraw/zinc/31/62/58/621316258.db2.gz FPXTZKLYSYZFJH-KLHDSHLOSA-N 2 2 258.409 3.025 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccnc1 ZINC000902432502 621316539 /nfs/dbraw/zinc/31/65/39/621316539.db2.gz IGCMPMHCLNHWGG-RCCFBDPRSA-N 2 2 281.403 3.137 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)(C)C ZINC000902458610 621334647 /nfs/dbraw/zinc/33/46/47/621334647.db2.gz WVIVOBTXEMMGRQ-APQYSAGASA-N 2 2 299.462 3.063 20 0 CGADLP Cc1cccnc1[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)(C)C ZINC000902458615 621335220 /nfs/dbraw/zinc/33/52/20/621335220.db2.gz WVIVOBTXEMMGRQ-YRKZSDTESA-N 2 2 299.462 3.063 20 0 CGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C ZINC000902464594 621337742 /nfs/dbraw/zinc/33/77/42/621337742.db2.gz APJRVADCMKHVMN-XJNFMUPTSA-N 2 2 258.409 3.155 20 0 CGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc12 ZINC000902468337 621339563 /nfs/dbraw/zinc/33/95/63/621339563.db2.gz SHVBDAUIGJPAJV-JGTCGTHISA-N 2 2 296.414 3.392 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482005 621351997 /nfs/dbraw/zinc/35/19/97/621351997.db2.gz JFJZZFZMYFDZOX-CHWSQXEVSA-N 2 2 252.427 3.239 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482934 621352754 /nfs/dbraw/zinc/35/27/54/621352754.db2.gz NXGDOTYAZDHFDH-WMLDXEAASA-N 2 2 273.424 3.055 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000902626268 621388183 /nfs/dbraw/zinc/38/81/83/621388183.db2.gz SZHMURSMFVXRHM-QGZVFWFLSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000902626268 621388190 /nfs/dbraw/zinc/38/81/90/621388190.db2.gz SZHMURSMFVXRHM-QGZVFWFLSA-N 2 2 287.451 3.143 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725210 621413114 /nfs/dbraw/zinc/41/31/14/621413114.db2.gz RUXDLRPHLSMVFN-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902725210 621413123 /nfs/dbraw/zinc/41/31/23/621413123.db2.gz RUXDLRPHLSMVFN-CRAIPNDOSA-N 2 2 298.434 3.007 20 0 CGADLP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000902764496 621430829 /nfs/dbraw/zinc/43/08/29/621430829.db2.gz FYUZLRRMHDQQCY-DLBZAZTESA-N 2 2 299.418 3.310 20 0 CGADLP COC1([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000903023331 621541817 /nfs/dbraw/zinc/54/18/17/621541817.db2.gz DHCQAAVQVFEXLL-LSDHHAIUSA-N 2 2 299.418 3.481 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046964 621554765 /nfs/dbraw/zinc/55/47/65/621554765.db2.gz DSSUFWBCGXSFRP-IAGOWNOFSA-N 2 2 296.499 3.290 20 0 CGADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCOCC1 ZINC000903046964 621554766 /nfs/dbraw/zinc/55/47/66/621554766.db2.gz DSSUFWBCGXSFRP-IAGOWNOFSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000903082006 621562708 /nfs/dbraw/zinc/56/27/08/621562708.db2.gz QRPPGMUSNWLMBX-ZLKJLUDKSA-N 2 2 295.308 3.474 20 0 CGADLP CC(C)[NH+]1CCC(Nc2cccc(C3CC3)[nH+]2)CC1 ZINC000903267914 621654685 /nfs/dbraw/zinc/65/46/85/621654685.db2.gz HVYBOMBNALKORL-UHFFFAOYSA-N 2 2 259.397 3.244 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000903340471 621695442 /nfs/dbraw/zinc/69/54/42/621695442.db2.gz IAMDUKLRJPWLIU-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CC[C@H](CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000903340471 621695448 /nfs/dbraw/zinc/69/54/48/621695448.db2.gz IAMDUKLRJPWLIU-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1C[NH3+] ZINC000903424919 621751737 /nfs/dbraw/zinc/75/17/37/621751737.db2.gz LOBSMAOTOUBQGG-DTZQCDIJSA-N 2 2 294.389 3.095 20 0 CGADLP C[C@@H]1CCC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)[C@@H]1C[NH3+] ZINC000903424919 621751741 /nfs/dbraw/zinc/75/17/41/621751741.db2.gz LOBSMAOTOUBQGG-DTZQCDIJSA-N 2 2 294.389 3.095 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803206 621812395 /nfs/dbraw/zinc/81/23/95/621812395.db2.gz WVWZEMWLGNBIHM-ZBFHGGJFSA-N 2 2 280.362 3.328 20 0 CGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccc(C(F)F)cc1 ZINC000903803206 621812398 /nfs/dbraw/zinc/81/23/98/621812398.db2.gz WVWZEMWLGNBIHM-ZBFHGGJFSA-N 2 2 280.362 3.328 20 0 CGADLP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903884161 621826809 /nfs/dbraw/zinc/82/68/09/621826809.db2.gz TVYVOSXYDGSECY-UONOGXRCSA-N 2 2 268.351 3.114 20 0 CGADLP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]([NH3+])CC(F)F)c1 ZINC000903884161 621826812 /nfs/dbraw/zinc/82/68/12/621826812.db2.gz TVYVOSXYDGSECY-UONOGXRCSA-N 2 2 268.351 3.114 20 0 CGADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884142 621826856 /nfs/dbraw/zinc/82/68/56/621826856.db2.gz SOWPKWNRVIFBNL-ZDUSSCGKSA-N 2 2 274.330 3.020 20 0 CGADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903884142 621826858 /nfs/dbraw/zinc/82/68/58/621826858.db2.gz SOWPKWNRVIFBNL-ZDUSSCGKSA-N 2 2 274.330 3.020 20 0 CGADLP Cc1cc([NH+](C)C)cc(C)c1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905429 621831423 /nfs/dbraw/zinc/83/14/23/621831423.db2.gz FOAOQAAAUCVSFY-MQVJKMGUSA-N 2 2 287.451 3.312 20 0 CGADLP Cc1cc(N(C)C)cc(C)c1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905429 621831424 /nfs/dbraw/zinc/83/14/24/621831424.db2.gz FOAOQAAAUCVSFY-MQVJKMGUSA-N 2 2 287.451 3.312 20 0 CGADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000903948376 621840212 /nfs/dbraw/zinc/84/02/12/621840212.db2.gz OVXVXJQGLFUDDU-JWZBEHFJSA-N 2 2 276.399 3.132 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000904337176 621904441 /nfs/dbraw/zinc/90/44/41/621904441.db2.gz PUJDDDNWBMVRJV-HUUCEWRRSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000904337176 621904448 /nfs/dbraw/zinc/90/44/48/621904448.db2.gz PUJDDDNWBMVRJV-HUUCEWRRSA-N 2 2 275.440 3.025 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(OCC2CC2)CC1 ZINC000904341167 621909389 /nfs/dbraw/zinc/90/93/89/621909389.db2.gz JUUBQTUVSYYHGA-OAHLLOKOSA-N 2 2 282.472 3.031 20 0 CGADLP CN(C)[C@@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367758 621912858 /nfs/dbraw/zinc/91/28/58/621912858.db2.gz HYOZVWOKWWWIRS-IRXDYDNUSA-N 2 2 291.483 3.033 20 0 CGADLP Cc1ccc(C)c(C2CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2)c1 ZINC000904474282 621925881 /nfs/dbraw/zinc/92/58/81/621925881.db2.gz XDYPTJKYVHTBAR-HNNXBMFYSA-N 2 2 296.405 3.465 20 0 CGADLP Fc1cccc([C@H]2C[C@H]2[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000906589571 622251220 /nfs/dbraw/zinc/25/12/20/622251220.db2.gz DOAVQXMEPOVWGZ-IAGOWNOFSA-N 2 2 285.366 3.215 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000225617807 622923686 /nfs/dbraw/zinc/92/36/86/622923686.db2.gz PHZSQNWILCCTOQ-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000225617807 622923688 /nfs/dbraw/zinc/92/36/88/622923688.db2.gz PHZSQNWILCCTOQ-UHFFFAOYSA-N 2 2 284.831 3.169 20 0 CGADLP CCCC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000916847623 624217651 /nfs/dbraw/zinc/21/76/51/624217651.db2.gz MZLMFWOIERAPMC-UHFFFAOYSA-N 2 2 275.440 3.429 20 0 CGADLP CCCc1[nH+]ccn1Cc1c[nH+]c(N(C)C)c2ccccc12 ZINC000917319695 624260642 /nfs/dbraw/zinc/26/06/42/624260642.db2.gz CXBGVWHYESVZEQ-UHFFFAOYSA-N 2 2 294.402 3.498 20 0 CGADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3C[C@H]3C3CC3)c2)c[nH+]1 ZINC000922424543 626005452 /nfs/dbraw/zinc/00/54/52/626005452.db2.gz TWUHXWKWKCJYKU-CJNGLKHVSA-N 2 2 287.432 3.460 20 0 CGADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922512358 626010460 /nfs/dbraw/zinc/01/04/60/626010460.db2.gz SAPZGLODPDSACS-VDNDLQMASA-N 2 2 267.376 3.006 20 0 CGADLP Clc1ccccc1C1([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000923384263 626149964 /nfs/dbraw/zinc/14/99/64/626149964.db2.gz VNCILTPWRMAOFK-UHFFFAOYSA-N 2 2 264.800 3.061 20 0 CGADLP COC1CCC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000753566936 626455620 /nfs/dbraw/zinc/45/56/20/626455620.db2.gz YOVKHXZPYVOMCD-NXVRBGIVSA-N 2 2 299.418 3.481 20 0 CGADLP c1cn(-c2csc(C[NH2+]CCC3CCC3)c2)c[nH+]1 ZINC000753569395 626455647 /nfs/dbraw/zinc/45/56/47/626455647.db2.gz CZYSGHOHENZZOR-UHFFFAOYSA-N 2 2 261.394 3.214 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763397043 627155886 /nfs/dbraw/zinc/15/58/86/627155886.db2.gz KRPFDXIGHVCDGS-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000763397043 627155887 /nfs/dbraw/zinc/15/58/87/627155887.db2.gz KRPFDXIGHVCDGS-LRDDRELGSA-N 2 2 278.827 3.401 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C1(C)C ZINC000765808825 627272442 /nfs/dbraw/zinc/27/24/42/627272442.db2.gz JSXQBQRNDYHJMK-ARFHVFGLSA-N 2 2 282.472 3.043 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270317 627309280 /nfs/dbraw/zinc/30/92/80/627309280.db2.gz QIBPSGXFGYHWEC-JKSUJKDBSA-N 2 2 298.434 3.007 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000766270317 627309282 /nfs/dbraw/zinc/30/92/82/627309282.db2.gz QIBPSGXFGYHWEC-JKSUJKDBSA-N 2 2 298.434 3.007 20 0 CGADLP CCc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000769874246 627586211 /nfs/dbraw/zinc/58/62/11/627586211.db2.gz JLPJFDKVTAJPRA-UBHSHLNASA-N 2 2 279.428 3.069 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc3c(c1)CCC[NH+]3C)C2 ZINC000774330356 627978795 /nfs/dbraw/zinc/97/87/95/627978795.db2.gz VGSHJKGBHOJPPT-ALOPSCKCSA-N 2 2 285.435 3.106 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc3c(c1)CCC[NH+]3C)C2 ZINC000774330356 627978799 /nfs/dbraw/zinc/97/87/99/627978799.db2.gz VGSHJKGBHOJPPT-ALOPSCKCSA-N 2 2 285.435 3.106 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1CC(Nc1ccc3c(c1)CCC[N@H+]3C)C2 ZINC000774330356 627978803 /nfs/dbraw/zinc/97/88/03/627978803.db2.gz VGSHJKGBHOJPPT-ALOPSCKCSA-N 2 2 285.435 3.106 20 0 CGADLP C[NH+]1[C@@H]2CC[C@H]1CC(Nc1ccc3c(c1)CCC[N@@H+]3C)C2 ZINC000774330356 627978806 /nfs/dbraw/zinc/97/88/06/627978806.db2.gz VGSHJKGBHOJPPT-ALOPSCKCSA-N 2 2 285.435 3.106 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000774380747 627984275 /nfs/dbraw/zinc/98/42/75/627984275.db2.gz SFAITLVWIFZNIA-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000774380747 627984277 /nfs/dbraw/zinc/98/42/77/627984277.db2.gz SFAITLVWIFZNIA-RDTXWAMCSA-N 2 2 290.426 3.363 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775048223 628056051 /nfs/dbraw/zinc/05/60/51/628056051.db2.gz ICUJRECJEPBHKS-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[C@@H](CC[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775048223 628056053 /nfs/dbraw/zinc/05/60/53/628056053.db2.gz ICUJRECJEPBHKS-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(C)CCC3)CC2)cc1 ZINC000777710515 628294450 /nfs/dbraw/zinc/29/44/50/628294450.db2.gz XIGGOLVTVLJEQA-UHFFFAOYSA-N 2 2 287.451 3.254 20 0 CGADLP C/C=C/C[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550743 629401203 /nfs/dbraw/zinc/40/12/03/629401203.db2.gz OCFHBDHSYIENGM-NNTXTVRGSA-N 2 2 293.480 3.383 20 0 CGADLP C/C=C/C[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862550743 629401208 /nfs/dbraw/zinc/40/12/08/629401208.db2.gz OCFHBDHSYIENGM-NNTXTVRGSA-N 2 2 293.480 3.383 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000863542580 629601663 /nfs/dbraw/zinc/60/16/63/629601663.db2.gz XZRSMGSKGPGHRN-DOMZBBRYSA-N 2 2 262.372 3.069 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000796907275 629857615 /nfs/dbraw/zinc/85/76/15/629857615.db2.gz NUIAVCJTYPIFJQ-SCTDSRPQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CCCc2cc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000796907275 629857622 /nfs/dbraw/zinc/85/76/22/629857622.db2.gz NUIAVCJTYPIFJQ-SCTDSRPQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)[C@@H]2CCC[C@@H]21 ZINC000796907275 629857624 /nfs/dbraw/zinc/85/76/24/629857624.db2.gz NUIAVCJTYPIFJQ-SCTDSRPQSA-N 2 2 299.462 3.354 20 0 CGADLP C[NH+]1CC[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)[C@@H]2CCC[C@@H]21 ZINC000796907275 629857630 /nfs/dbraw/zinc/85/76/30/629857630.db2.gz NUIAVCJTYPIFJQ-SCTDSRPQSA-N 2 2 299.462 3.354 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(CC3CCC3)c1)C2 ZINC000865573020 630194857 /nfs/dbraw/zinc/19/48/57/630194857.db2.gz AFACUNCIWIILIA-QGZVFWFLSA-N 2 2 295.430 3.399 20 0 CGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)c[nH+]1 ZINC000800475137 630283824 /nfs/dbraw/zinc/28/38/24/630283824.db2.gz TYDBEHXHKRUMQX-INIZCTEOSA-N 2 2 267.376 3.295 20 0 CGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767525 630802731 /nfs/dbraw/zinc/80/27/31/630802731.db2.gz NIHHOPBWSYAEES-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc3ccccc3c2)C1 ZINC000809767525 630802738 /nfs/dbraw/zinc/80/27/38/630802738.db2.gz NIHHOPBWSYAEES-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767525 630802742 /nfs/dbraw/zinc/80/27/42/630802742.db2.gz NIHHOPBWSYAEES-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc3ccccc3c2)C1 ZINC000809767525 630802746 /nfs/dbraw/zinc/80/27/46/630802746.db2.gz NIHHOPBWSYAEES-MJGOQNOKSA-N 2 2 295.430 3.151 20 0 CGADLP C[C@H](C[NH2+]Cc1ccnc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000811476902 631070959 /nfs/dbraw/zinc/07/09/59/631070959.db2.gz WETMQVHQESJSRI-SNVBAGLBSA-N 2 2 299.205 3.011 20 0 CGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000817410638 632142738 /nfs/dbraw/zinc/14/27/38/632142738.db2.gz RMLZHPJQSGBSTA-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC2(C1)CCCCC2 ZINC000817410638 632142741 /nfs/dbraw/zinc/14/27/41/632142741.db2.gz RMLZHPJQSGBSTA-AWEZNQCLSA-N 2 2 250.430 3.173 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817907911 632233400 /nfs/dbraw/zinc/23/34/00/632233400.db2.gz ZDPJAARMWCJWAL-MSOLQXFVSA-N 2 2 288.435 3.268 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccnc1Cl ZINC000817938724 632238685 /nfs/dbraw/zinc/23/86/85/632238685.db2.gz QWPWQOLDTMXEHE-NSHDSACASA-N 2 2 267.804 3.047 20 0 CGADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccnc1Cl ZINC000817944023 632242139 /nfs/dbraw/zinc/24/21/39/632242139.db2.gz WCEZIEGUCMGUMZ-LBPRGKRZSA-N 2 2 281.831 3.437 20 0 CGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000817954998 632250412 /nfs/dbraw/zinc/25/04/12/632250412.db2.gz OAZXUVWGMDZESI-DYVFJYSZSA-N 2 2 272.367 3.485 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)nc1Cl ZINC000866665967 633230108 /nfs/dbraw/zinc/23/01/08/633230108.db2.gz JNUMAOWJCCPNAR-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[C@]1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321936 633605608 /nfs/dbraw/zinc/60/56/08/633605608.db2.gz JMKGVNKJNDLCGT-ZYHUDNBSSA-N 2 2 288.222 3.173 20 0 CGADLP C[C@]1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1(Cl)Cl ZINC000828321936 633605610 /nfs/dbraw/zinc/60/56/10/633605610.db2.gz JMKGVNKJNDLCGT-ZYHUDNBSSA-N 2 2 288.222 3.173 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000872022655 633943349 /nfs/dbraw/zinc/94/33/49/633943349.db2.gz KNAQPHZSIHAOBB-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000872022655 633943353 /nfs/dbraw/zinc/94/33/53/633943353.db2.gz KNAQPHZSIHAOBB-QZWWFDLISA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872086063 634012009 /nfs/dbraw/zinc/01/20/09/634012009.db2.gz RHCSTNUQZVSRSQ-GVDBMIGSSA-N 2 2 296.499 3.290 20 0 CGADLP C[C@H]1CCN(c2cc[nH+]cc2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000872481042 634154395 /nfs/dbraw/zinc/15/43/95/634154395.db2.gz ALUKZLPGYCBEPG-SUMWQHHRSA-N 2 2 282.391 3.243 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230276 634292918 /nfs/dbraw/zinc/29/29/18/634292918.db2.gz OOBWUXAHUXACIW-CABCVRRESA-N 2 2 264.800 3.023 20 0 CGADLP Cc1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)ccc1Cl ZINC000873230488 634293098 /nfs/dbraw/zinc/29/30/98/634293098.db2.gz SDIKNBQJGGHOAX-LSDHHAIUSA-N 2 2 264.800 3.023 20 0 CGADLP CCSc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873232107 634294668 /nfs/dbraw/zinc/29/46/68/634294668.db2.gz VZHZUBOAOATEMT-HOTGVXAUSA-N 2 2 276.449 3.173 20 0 CGADLP CC1(C)CC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)[NH2+]C1 ZINC000873236748 634296303 /nfs/dbraw/zinc/29/63/03/634296303.db2.gz JKCNRIKLAUFIRZ-SJORKVTESA-N 2 2 287.451 3.291 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)o1 ZINC000019913227 634376532 /nfs/dbraw/zinc/37/65/32/634376532.db2.gz VNYJFYBEHVCBJC-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP Cc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)o1 ZINC000019913227 634376535 /nfs/dbraw/zinc/37/65/35/634376535.db2.gz VNYJFYBEHVCBJC-UHFFFAOYSA-N 2 2 272.392 3.200 20 0 CGADLP Cc1[nH+]cc(CNc2[nH+]ccn2C2CC2)n1-c1ccccc1 ZINC000840886811 635075026 /nfs/dbraw/zinc/07/50/26/635075026.db2.gz DONSGVSPAMQULU-UHFFFAOYSA-N 2 2 293.374 3.324 20 0 CGADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+]1CCC(C)CC1 ZINC000842673267 635437963 /nfs/dbraw/zinc/43/79/63/635437963.db2.gz KZKMZLATGZITTM-ZDUSSCGKSA-N 2 2 274.399 3.274 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc1Cl ZINC000878267103 635439502 /nfs/dbraw/zinc/43/95/02/635439502.db2.gz OSWHJFZYYLTPKG-UHFFFAOYSA-N 2 2 290.798 3.146 20 0 CGADLP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000878491198 635530247 /nfs/dbraw/zinc/53/02/47/635530247.db2.gz HLBCWKFBGGJZFX-HRMTXBTBSA-N 2 2 285.435 3.014 20 0 CGADLP C=C/C=C/CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000878491198 635530259 /nfs/dbraw/zinc/53/02/59/635530259.db2.gz HLBCWKFBGGJZFX-HRMTXBTBSA-N 2 2 285.435 3.014 20 0 CGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843127741 635561770 /nfs/dbraw/zinc/56/17/70/635561770.db2.gz SXNHDWYIYXGREQ-TZMCWYRMSA-N 2 2 298.402 3.185 20 0 CGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843127741 635561792 /nfs/dbraw/zinc/56/17/92/635561792.db2.gz SXNHDWYIYXGREQ-TZMCWYRMSA-N 2 2 298.402 3.185 20 0 CGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843127739 635562505 /nfs/dbraw/zinc/56/25/05/635562505.db2.gz SXNHDWYIYXGREQ-JSGCOSHPSA-N 2 2 298.402 3.185 20 0 CGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843127739 635562508 /nfs/dbraw/zinc/56/25/08/635562508.db2.gz SXNHDWYIYXGREQ-JSGCOSHPSA-N 2 2 298.402 3.185 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000843354767 635652322 /nfs/dbraw/zinc/65/23/22/635652322.db2.gz MTWGYZJFJYFJGE-NSHDSACASA-N 2 2 290.238 3.194 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000843354767 635652324 /nfs/dbraw/zinc/65/23/24/635652324.db2.gz MTWGYZJFJYFJGE-NSHDSACASA-N 2 2 290.238 3.194 20 0 CGADLP C[C@@](C[NH3+])([NH2+]Cc1cc2ccccc2nc1Cl)C1CC1 ZINC000843355946 635652669 /nfs/dbraw/zinc/65/26/69/635652669.db2.gz NWRMIPVSAZSOEL-INIZCTEOSA-N 2 2 289.810 3.105 20 0 CGADLP Cc1ccc(C[C@@]2(C)CCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000879388068 635776619 /nfs/dbraw/zinc/77/66/19/635776619.db2.gz LVJAGYIBNGCCNO-LJQANCHMSA-N 2 2 297.446 3.368 20 0 CGADLP Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000879388068 635776627 /nfs/dbraw/zinc/77/66/27/635776627.db2.gz LVJAGYIBNGCCNO-LJQANCHMSA-N 2 2 297.446 3.368 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c2ccccc2n1 ZINC000880129719 635919062 /nfs/dbraw/zinc/91/90/62/635919062.db2.gz AAXIHYQPEWXMEC-OALUTQOASA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c2ccccc2n1 ZINC000880129719 635919069 /nfs/dbraw/zinc/91/90/69/635919069.db2.gz AAXIHYQPEWXMEC-OALUTQOASA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129719 635919075 /nfs/dbraw/zinc/91/90/75/635919075.db2.gz AAXIHYQPEWXMEC-OALUTQOASA-N 2 2 295.430 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c2ccccc2n1 ZINC000880129719 635919080 /nfs/dbraw/zinc/91/90/80/635919080.db2.gz AAXIHYQPEWXMEC-OALUTQOASA-N 2 2 295.430 3.212 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142028 635922733 /nfs/dbraw/zinc/92/27/33/635922733.db2.gz WSIGYAJLSQESAD-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSC(C)(C)C ZINC000880142028 635922735 /nfs/dbraw/zinc/92/27/35/635922735.db2.gz WSIGYAJLSQESAD-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCSC(C)(C)C ZINC000880142028 635922736 /nfs/dbraw/zinc/92/27/36/635922736.db2.gz WSIGYAJLSQESAD-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCSC(C)(C)C ZINC000880142028 635922740 /nfs/dbraw/zinc/92/27/40/635922740.db2.gz WSIGYAJLSQESAD-KGLIPLIRSA-N 2 2 270.486 3.077 20 0 CGADLP C1=C[C@@H]([N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203805 635936927 /nfs/dbraw/zinc/93/69/27/635936927.db2.gz GYHFNRLEDGCOAA-QZTJIDSGSA-N 2 2 292.467 3.108 20 0 CGADLP C1=C[C@@H]([N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCCCC1 ZINC000880203805 635936933 /nfs/dbraw/zinc/93/69/33/635936933.db2.gz GYHFNRLEDGCOAA-QZTJIDSGSA-N 2 2 292.467 3.108 20 0 CGADLP CCC(=O)CCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880254823 635957790 /nfs/dbraw/zinc/95/77/90/635957790.db2.gz OZOSPMZDILZHNH-UHFFFAOYSA-N 2 2 294.483 3.476 20 0 CGADLP Cc1ccc(F)cc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473457 636007175 /nfs/dbraw/zinc/00/71/75/636007175.db2.gz FDJQNJJEOQASGL-UHFFFAOYSA-N 2 2 276.399 3.194 20 0 CGADLP c1cn(C[C@@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000880570525 636023752 /nfs/dbraw/zinc/02/37/52/636023752.db2.gz WZUBEQARWYFBOL-SJLPKXTDSA-N 2 2 299.418 3.031 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000845927630 636120094 /nfs/dbraw/zinc/12/00/94/636120094.db2.gz KNCKNDGNEKNWPF-LSDHHAIUSA-N 2 2 295.471 3.339 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000848568783 636611392 /nfs/dbraw/zinc/61/13/92/636611392.db2.gz QWFOHIHTZNIMGD-QEJZJMRPSA-N 2 2 293.842 3.403 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccnc(Cl)c1 ZINC000848568783 636611395 /nfs/dbraw/zinc/61/13/95/636611395.db2.gz QWFOHIHTZNIMGD-QEJZJMRPSA-N 2 2 293.842 3.403 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000848575200 636613401 /nfs/dbraw/zinc/61/34/01/636613401.db2.gz LUZYGIZKOYZAJJ-TVFCKZIOSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000848575200 636613416 /nfs/dbraw/zinc/61/34/16/636613416.db2.gz LUZYGIZKOYZAJJ-TVFCKZIOSA-N 2 2 294.483 3.044 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000848928097 636699829 /nfs/dbraw/zinc/69/98/29/636699829.db2.gz VYCJWMMQXXLWLF-DLBZAZTESA-N 2 2 294.389 3.114 20 0 CGADLP Fc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000848928097 636699842 /nfs/dbraw/zinc/69/98/42/636699842.db2.gz VYCJWMMQXXLWLF-DLBZAZTESA-N 2 2 294.389 3.114 20 0 CGADLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCn2cc[nH+]c2)cc1 ZINC000848981445 636704121 /nfs/dbraw/zinc/70/41/21/636704121.db2.gz YSVQEWJOGCSCNN-CYBMUJFWSA-N 2 2 285.395 3.033 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387565 636728267 /nfs/dbraw/zinc/72/82/67/636728267.db2.gz ZQJFNOMWTOFHDA-HOCLYGCPSA-N 2 2 257.381 3.403 20 0 CGADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000883386527 636728440 /nfs/dbraw/zinc/72/84/40/636728440.db2.gz HUDCFYXBQJWBDR-DLBZAZTESA-N 2 2 269.392 3.403 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850491916 637089726 /nfs/dbraw/zinc/08/97/26/637089726.db2.gz BKADMMVBOVXROD-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850491916 637089733 /nfs/dbraw/zinc/08/97/33/637089733.db2.gz BKADMMVBOVXROD-NVXWUHKLSA-N 2 2 272.436 3.445 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885916301 637312060 /nfs/dbraw/zinc/31/20/60/637312060.db2.gz WFXQVRUSYNNDDU-QGZVFWFLSA-N 2 2 294.483 3.334 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000886707306 637666011 /nfs/dbraw/zinc/66/60/11/637666011.db2.gz DLJGNYZLBCIDEX-GFCCVEGCSA-N 2 2 291.266 3.131 20 0 CGADLP CCc1ccc([C@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924538259 638355551 /nfs/dbraw/zinc/35/55/51/638355551.db2.gz IJAHQBKUCIWXKA-IBGZPJMESA-N 2 2 297.446 3.275 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000924541864 638356858 /nfs/dbraw/zinc/35/68/58/638356858.db2.gz JOHWIKHOYOJDPZ-HNNXBMFYSA-N 2 2 275.440 3.243 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924622686 638378084 /nfs/dbraw/zinc/37/80/84/638378084.db2.gz FBHRZWPVSHZCRG-FRQCXROJSA-N 2 2 293.414 3.376 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1coc2ccccc12 ZINC000924650330 638384510 /nfs/dbraw/zinc/38/45/10/638384510.db2.gz VEFOSDDGKQXCNC-CHWSQXEVSA-N 2 2 269.348 3.369 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010884 638437379 /nfs/dbraw/zinc/43/73/79/638437379.db2.gz ONRIVMZFPIQOKC-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010884 638437381 /nfs/dbraw/zinc/43/73/81/638437381.db2.gz ONRIVMZFPIQOKC-LSDHHAIUSA-N 2 2 299.418 3.334 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1 ZINC000925483632 638508539 /nfs/dbraw/zinc/50/85/39/638508539.db2.gz WHXCGUWGLCANSV-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1 ZINC000925517422 638516448 /nfs/dbraw/zinc/51/64/48/638516448.db2.gz GTMADTXQBIGVHN-SUMWQHHRSA-N 2 2 272.367 3.046 20 0 CGADLP CCO[C@H](CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000925526264 638518865 /nfs/dbraw/zinc/51/88/65/638518865.db2.gz HWWBTWKPUZKVIM-OIISXLGYSA-N 2 2 278.440 3.116 20 0 CGADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925640298 638554066 /nfs/dbraw/zinc/55/40/66/638554066.db2.gz RMTLJCOKQOECOV-DZGCQCFKSA-N 2 2 276.449 3.390 20 0 CGADLP c1ccc2c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)noc2c1 ZINC000925709840 638575371 /nfs/dbraw/zinc/57/53/71/638575371.db2.gz ADPDTMHNMFIJJJ-JKSUJKDBSA-N 2 2 299.418 3.086 20 0 CGADLP C[N@H+](CCC[NH2+][C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846871 638575991 /nfs/dbraw/zinc/57/59/91/638575991.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@@H+](CCC[NH2+][C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846871 638575996 /nfs/dbraw/zinc/57/59/96/638575996.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@H+](CCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857846871 638576001 /nfs/dbraw/zinc/57/60/01/638576001.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP C[N@@H+](CCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CCCCC1 ZINC000857846871 638576005 /nfs/dbraw/zinc/57/60/05/638576005.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 2 2 290.455 3.031 20 0 CGADLP CCSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000925732650 638587042 /nfs/dbraw/zinc/58/70/42/638587042.db2.gz QRCZBNPMTBUGMP-WFASDCNBSA-N 2 2 264.438 3.029 20 0 CGADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc21 ZINC000925872506 638637974 /nfs/dbraw/zinc/63/79/74/638637974.db2.gz VJKDRJUQHQGIHL-ULQDDVLXSA-N 2 2 279.387 3.193 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2[nH]1 ZINC000926223807 638745817 /nfs/dbraw/zinc/74/58/17/638745817.db2.gz FIIBMXQXYMPJLQ-GXTWGEPZSA-N 2 2 280.375 3.030 20 0 CGADLP FC1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926639668 638793238 /nfs/dbraw/zinc/79/32/38/638793238.db2.gz SYNFKGQTMWFHGT-FJBKBRRZSA-N 2 2 268.420 3.121 20 0 CGADLP FC1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926639668 638793241 /nfs/dbraw/zinc/79/32/41/638793241.db2.gz SYNFKGQTMWFHGT-FJBKBRRZSA-N 2 2 268.420 3.121 20 0 CGADLP C(C[C@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000927123831 638845516 /nfs/dbraw/zinc/84/55/16/638845516.db2.gz CBSLCLWKIMGZGD-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP C(C[C@H]1CCC2(CCC2)O1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000927123831 638845518 /nfs/dbraw/zinc/84/55/18/638845518.db2.gz CBSLCLWKIMGZGD-IKGGRYGDSA-N 2 2 292.467 3.085 20 0 CGADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2c2cccs2)c(C)[nH+]1 ZINC000929131028 638901319 /nfs/dbraw/zinc/90/13/19/638901319.db2.gz ILJGDWRJHHDLCP-CYBMUJFWSA-N 2 2 261.394 3.425 20 0 CGADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]2c2cccs2)c(C)[nH+]1 ZINC000929131028 638901321 /nfs/dbraw/zinc/90/13/21/638901321.db2.gz ILJGDWRJHHDLCP-CYBMUJFWSA-N 2 2 261.394 3.425 20 0 CGADLP C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000932274792 639308213 /nfs/dbraw/zinc/30/82/13/639308213.db2.gz KFEFJWGACCOTKZ-MAUKXSAKSA-N 2 2 283.419 3.231 20 0 CGADLP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000932274792 639308222 /nfs/dbraw/zinc/30/82/22/639308222.db2.gz KFEFJWGACCOTKZ-MAUKXSAKSA-N 2 2 283.419 3.231 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094370398 640794799 /nfs/dbraw/zinc/79/47/99/640794799.db2.gz FRGVYLLJEPTUKH-IRXDYDNUSA-N 2 2 296.499 3.434 20 0 CGADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1c(F)cccc1F ZINC000251280405 640823679 /nfs/dbraw/zinc/82/36/79/640823679.db2.gz ZFXOSXNRDWPNCQ-IJLUTSLNSA-N 2 2 268.351 3.146 20 0 CGADLP C[NH+]1CCN(c2cccc3[nH+]c(C4CCCCC4)[nH]c32)CC1 ZINC001250416665 805601780 /nfs/dbraw/zinc/60/17/80/805601780.db2.gz IOYOFGKOBBSWKD-UHFFFAOYSA-N 2 2 298.434 3.362 20 0 CGADLP COc1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156927810 805754923 /nfs/dbraw/zinc/75/49/23/805754923.db2.gz GCOWPXILESZANY-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP COc1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001156927810 805754929 /nfs/dbraw/zinc/75/49/29/805754929.db2.gz GCOWPXILESZANY-AWEZNQCLSA-N 2 2 277.412 3.075 20 0 CGADLP CC1(C)C[C@@H](Nc2cc(N)cc(Cl)[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158264506 805931452 /nfs/dbraw/zinc/93/14/52/805931452.db2.gz CDCCNOCFXNPDJB-IAQYHMDHSA-N 2 2 296.846 3.273 20 0 CGADLP CC1(C)C[C@H](Nc2ccc(Cl)c(N)[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158269799 805932795 /nfs/dbraw/zinc/93/27/95/805932795.db2.gz BXWZARFZDORREX-BONVTDFDSA-N 2 2 296.846 3.273 20 0 CGADLP Cc1ccc(O)c(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159170588 806056147 /nfs/dbraw/zinc/05/61/47/806056147.db2.gz NQKLNMSFPQGVNX-UHFFFAOYSA-N 2 2 283.375 3.306 20 0 CGADLP CCc1ccc[nH+]c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159203911 806058823 /nfs/dbraw/zinc/05/88/23/806058823.db2.gz LLXUXZULEUKPDE-UHFFFAOYSA-N 2 2 253.349 3.033 20 0 CGADLP Cc1[nH+]cc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1N ZINC001159598699 806127732 /nfs/dbraw/zinc/12/77/32/806127732.db2.gz ZYJCWMOGPWKLQS-UHFFFAOYSA-N 2 2 282.391 3.183 20 0 CGADLP CCCCC[C@@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253540652 806244478 /nfs/dbraw/zinc/24/44/78/806244478.db2.gz GMAMLAMIJLBITB-GOSISDBHSA-N 2 2 296.499 3.266 20 0 CGADLP CCCCC[C@@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001253540652 806244484 /nfs/dbraw/zinc/24/44/84/806244484.db2.gz GMAMLAMIJLBITB-GOSISDBHSA-N 2 2 296.499 3.266 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@H]2CCC[N@H+]2C)[nH+]1 ZINC001160964346 806331078 /nfs/dbraw/zinc/33/10/78/806331078.db2.gz MDFSAUPJIHITMD-GFCCVEGCSA-N 2 2 267.804 3.248 20 0 CGADLP Cc1cc(Cl)c(C)c(NCC[C@H]2CCC[N@@H+]2C)[nH+]1 ZINC001160964346 806331088 /nfs/dbraw/zinc/33/10/88/806331088.db2.gz MDFSAUPJIHITMD-GFCCVEGCSA-N 2 2 267.804 3.248 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254451379 806405248 /nfs/dbraw/zinc/40/52/48/806405248.db2.gz QCYLHMGBKBKKGY-SFHVURJKSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254451379 806405252 /nfs/dbraw/zinc/40/52/52/806405252.db2.gz QCYLHMGBKBKKGY-SFHVURJKSA-N 2 2 272.436 3.006 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC1 ZINC001254510132 806429682 /nfs/dbraw/zinc/42/96/82/806429682.db2.gz RZDZKQUSRQCIJY-CYBMUJFWSA-N 2 2 280.362 3.028 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CC2)CC1 ZINC001254510132 806429685 /nfs/dbraw/zinc/42/96/85/806429685.db2.gz RZDZKQUSRQCIJY-CYBMUJFWSA-N 2 2 280.362 3.028 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527316 806442342 /nfs/dbraw/zinc/44/23/42/806442342.db2.gz WSCNWRIXLJSQCX-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527316 806442350 /nfs/dbraw/zinc/44/23/50/806442350.db2.gz WSCNWRIXLJSQCX-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527316 806442353 /nfs/dbraw/zinc/44/23/53/806442353.db2.gz WSCNWRIXLJSQCX-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001254527316 806442360 /nfs/dbraw/zinc/44/23/60/806442360.db2.gz WSCNWRIXLJSQCX-CQSZACIVSA-N 2 2 278.827 3.182 20 0 CGADLP CC(C)c1ccc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254837128 806492998 /nfs/dbraw/zinc/49/29/98/806492998.db2.gz RLFJSYUUMCEORA-SFHVURJKSA-N 2 2 272.436 3.384 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccc(Cl)cc1 ZINC001254834286 806493603 /nfs/dbraw/zinc/49/36/03/806493603.db2.gz WTTROKYPTAVQLX-WBMJQRKESA-N 2 2 278.827 3.475 20 0 CGADLP Clc1cccc([C@@H]2C[C@@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254840586 806494348 /nfs/dbraw/zinc/49/43/48/806494348.db2.gz JSGTVSXSTZYQDL-ULQDDVLXSA-N 2 2 290.838 3.270 20 0 CGADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254843702 806495715 /nfs/dbraw/zinc/49/57/15/806495715.db2.gz JILMDIMABBJCEZ-PBHICJAKSA-N 2 2 264.457 3.419 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254847275 806497695 /nfs/dbraw/zinc/49/76/95/806497695.db2.gz AUZDPXJZXJQMJW-RDJZCZTQSA-N 2 2 272.436 3.438 20 0 CGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001162465142 806591114 /nfs/dbraw/zinc/59/11/14/806591114.db2.gz CYKOIXDIFXURFW-GDBMZVCRSA-N 2 2 298.434 3.135 20 0 CGADLP [NH3+]Cc1ccc(Nc2ccc3c([nH+]2)CCCC3)cc1F ZINC001162524359 806609649 /nfs/dbraw/zinc/60/96/49/806609649.db2.gz AKZQTAIFVLHIKS-UHFFFAOYSA-N 2 2 271.339 3.302 20 0 CGADLP COC1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001255454953 806643399 /nfs/dbraw/zinc/64/33/99/806643399.db2.gz ZMPDBVMTHNCIPU-UHFFFAOYSA-N 2 2 285.391 3.139 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522685 806662236 /nfs/dbraw/zinc/66/22/36/806662236.db2.gz UPAWCWPIEJWYIT-ABXWRUBCSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522685 806662242 /nfs/dbraw/zinc/66/22/42/806662242.db2.gz UPAWCWPIEJWYIT-ABXWRUBCSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522685 806662243 /nfs/dbraw/zinc/66/22/43/806662243.db2.gz UPAWCWPIEJWYIT-ABXWRUBCSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522685 806662248 /nfs/dbraw/zinc/66/22/48/806662248.db2.gz UPAWCWPIEJWYIT-ABXWRUBCSA-N 2 2 290.373 3.134 20 0 CGADLP FC1(F)C[NH2+]CC[C@@H]1CCNc1cc(C2CC2)cc[nH+]1 ZINC001162811968 806668399 /nfs/dbraw/zinc/66/83/99/806668399.db2.gz JCHAGNIUVFPNQF-CYBMUJFWSA-N 2 2 281.350 3.006 20 0 CGADLP c1c(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc2c3c1CCC[NH+]3CCC2 ZINC001162982861 806690381 /nfs/dbraw/zinc/69/03/81/806690381.db2.gz LPCBEYPRMHHHCR-PKOBYXMFSA-N 2 2 297.446 3.082 20 0 CGADLP C[C@@H](C[NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028748 798885362 /nfs/dbraw/zinc/88/53/62/798885362.db2.gz UORACLZWSFONFI-HOTGVXAUSA-N 2 2 260.425 3.254 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC000075860850 798924521 /nfs/dbraw/zinc/92/45/21/798924521.db2.gz ONZCKFSUJSHNBK-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Cl)nc1 ZINC000075860850 798924528 /nfs/dbraw/zinc/92/45/28/798924528.db2.gz ONZCKFSUJSHNBK-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)nc1 ZINC000075860850 798924531 /nfs/dbraw/zinc/92/45/31/798924531.db2.gz ONZCKFSUJSHNBK-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)nc1 ZINC000075860850 798924538 /nfs/dbraw/zinc/92/45/38/798924538.db2.gz ONZCKFSUJSHNBK-AWEZNQCLSA-N 2 2 281.831 3.041 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084468453 798941142 /nfs/dbraw/zinc/94/11/42/798941142.db2.gz INKCHLSVJYJGHJ-FMKPAKJESA-N 2 2 254.462 3.377 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740829 799242175 /nfs/dbraw/zinc/24/21/75/799242175.db2.gz HXGKYTFPVJZJFZ-VYDXJSESSA-N 2 2 298.434 3.006 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000316740829 799242182 /nfs/dbraw/zinc/24/21/82/799242182.db2.gz HXGKYTFPVJZJFZ-VYDXJSESSA-N 2 2 298.434 3.006 20 0 CGADLP Cc1c[nH+]cc(N[C@@H]2C[NH2+]Cc3ccsc32)c1C ZINC001163230720 806732118 /nfs/dbraw/zinc/73/21/18/806732118.db2.gz ZFVLGSDHLBQEID-CYBMUJFWSA-N 2 2 259.378 3.016 20 0 CGADLP Cc1c(F)cc[nH+]c1NC1CCC(C[NH+](C)C)CC1 ZINC001163302056 806738023 /nfs/dbraw/zinc/73/80/23/806738023.db2.gz YOYYWKSYRHWRND-UHFFFAOYSA-N 2 2 265.376 3.061 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382219836 799394437 /nfs/dbraw/zinc/39/44/37/799394437.db2.gz FCDNIPPYXOXEJW-QDIHITRGSA-N 2 2 275.440 3.466 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001163370598 806751897 /nfs/dbraw/zinc/75/18/97/806751897.db2.gz LDWCTHRVWDDXSJ-SWLSCSKDSA-N 2 2 288.439 3.193 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001163370598 806751905 /nfs/dbraw/zinc/75/19/05/806751905.db2.gz LDWCTHRVWDDXSJ-SWLSCSKDSA-N 2 2 288.439 3.193 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255837714 806762942 /nfs/dbraw/zinc/76/29/42/806762942.db2.gz HNLPNDYXXPWYSH-YOEHRIQHSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255837714 806762950 /nfs/dbraw/zinc/76/29/50/806762950.db2.gz HNLPNDYXXPWYSH-YOEHRIQHSA-N 2 2 290.426 3.221 20 0 CGADLP C[C@H](Cc1ccccc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001255854659 806770131 /nfs/dbraw/zinc/77/01/31/806770131.db2.gz QNBSATVCSKPCOM-CQSZACIVSA-N 2 2 287.382 3.290 20 0 CGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255861125 806773227 /nfs/dbraw/zinc/77/32/27/806773227.db2.gz SIJGYCSFIAPWSD-JKSUJKDBSA-N 2 2 292.442 3.467 20 0 CGADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000708848588 799996065 /nfs/dbraw/zinc/99/60/65/799996065.db2.gz YTAXIPNPRNXKBC-AWEZNQCLSA-N 2 2 274.399 3.261 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2cc(OC)ccc2C1 ZINC001255957041 806798263 /nfs/dbraw/zinc/79/82/63/806798263.db2.gz OJNXPQXJGYMCMN-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2cc(OC)ccc2C1 ZINC001255957041 806798265 /nfs/dbraw/zinc/79/82/65/806798265.db2.gz OJNXPQXJGYMCMN-OAHLLOKOSA-N 2 2 290.451 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073374 806812135 /nfs/dbraw/zinc/81/21/35/806812135.db2.gz SYFVKUHJHRIDLD-CQSZACIVSA-N 2 2 270.420 3.233 20 0 CGADLP C[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073374 806812144 /nfs/dbraw/zinc/81/21/44/806812144.db2.gz SYFVKUHJHRIDLD-CQSZACIVSA-N 2 2 270.420 3.233 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256205218 806849660 /nfs/dbraw/zinc/84/96/60/806849660.db2.gz XNKSLHAWMKCZCQ-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256205218 806849666 /nfs/dbraw/zinc/84/96/66/806849666.db2.gz XNKSLHAWMKCZCQ-KRWDZBQOSA-N 2 2 258.409 3.226 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520862 806909867 /nfs/dbraw/zinc/90/98/67/806909867.db2.gz VCGPITREYDKMPY-KDOFPFPSSA-N 2 2 299.418 3.126 20 0 CGADLP Cc1oncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256520862 806909870 /nfs/dbraw/zinc/90/98/70/806909870.db2.gz VCGPITREYDKMPY-KDOFPFPSSA-N 2 2 299.418 3.126 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC001256569361 806918167 /nfs/dbraw/zinc/91/81/67/806918167.db2.gz BPYCIXCWBZWWKO-UHFFFAOYSA-N 2 2 288.435 3.013 20 0 CGADLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001256569361 806918175 /nfs/dbraw/zinc/91/81/75/806918175.db2.gz BPYCIXCWBZWWKO-UHFFFAOYSA-N 2 2 288.435 3.013 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001116291293 802325117 /nfs/dbraw/zinc/32/51/17/802325117.db2.gz BFGMVGIZSICKCE-KGLIPLIRSA-N 2 2 280.843 3.202 20 0 CGADLP C[C@@H](Cc1ccccc1Cl)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001116291293 802325126 /nfs/dbraw/zinc/32/51/26/802325126.db2.gz BFGMVGIZSICKCE-KGLIPLIRSA-N 2 2 280.843 3.202 20 0 CGADLP CC(C)c1ccc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c1 ZINC001165247208 806979729 /nfs/dbraw/zinc/97/97/29/806979729.db2.gz REOAGYMOHWAODG-UHFFFAOYSA-N 2 2 273.424 3.318 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ncccc21 ZINC001118991505 802625581 /nfs/dbraw/zinc/62/55/81/802625581.db2.gz LRGPLNUCUWADNW-DLBZAZTESA-N 2 2 298.434 3.360 20 0 CGADLP CNc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244828811 803540142 /nfs/dbraw/zinc/54/01/42/803540142.db2.gz NWBUGFOWBAJVEW-QGZVFWFLSA-N 2 2 299.393 3.067 20 0 CGADLP CNc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244828811 803540150 /nfs/dbraw/zinc/54/01/50/803540150.db2.gz NWBUGFOWBAJVEW-QGZVFWFLSA-N 2 2 299.393 3.067 20 0 CGADLP C[NH2+]Cc1ccccc1-c1c[nH+]cn1Cc1ccccc1 ZINC001245200658 803662314 /nfs/dbraw/zinc/66/23/14/803662314.db2.gz GKEPFCNMVGQPKY-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP CC[N@H+](Cc1c[nH]c2c1cccc2F)C1CC[NH+](C)CC1 ZINC001137055940 803677218 /nfs/dbraw/zinc/67/72/18/803677218.db2.gz GIADTUGDHIOUQN-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP CC[N@@H+](Cc1c[nH]c2c1cccc2F)C1CC[NH+](C)CC1 ZINC001137055940 803677222 /nfs/dbraw/zinc/67/72/22/803677222.db2.gz GIADTUGDHIOUQN-UHFFFAOYSA-N 2 2 289.398 3.223 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001137849584 803782708 /nfs/dbraw/zinc/78/27/08/803782708.db2.gz WARVYLLTYVOQLG-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1cccc(C)c1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001137849584 803782713 /nfs/dbraw/zinc/78/27/13/803782713.db2.gz WARVYLLTYVOQLG-UHFFFAOYSA-N 2 2 284.447 3.221 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138396731 803914985 /nfs/dbraw/zinc/91/49/85/803914985.db2.gz DKGHCEIJXWDKQM-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP Cc1c2ccccc2[nH]c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138396731 803914993 /nfs/dbraw/zinc/91/49/93/803914993.db2.gz DKGHCEIJXWDKQM-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4cc(C)ccc4[nH]3)C[C@@H]2C1 ZINC001138416757 803923356 /nfs/dbraw/zinc/92/33/56/803923356.db2.gz CPMDCQDXGUIURC-IRXDYDNUSA-N 2 2 297.446 3.250 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001138968830 804093217 /nfs/dbraw/zinc/09/32/17/804093217.db2.gz HHTFQHZODMTKKR-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001138968830 804093229 /nfs/dbraw/zinc/09/32/29/804093229.db2.gz HHTFQHZODMTKKR-UHFFFAOYSA-N 2 2 290.451 3.247 20 0 CGADLP CCCOc1ccccc1C[N@H+](CC)CCC[NH+](C)C ZINC001138999020 804104106 /nfs/dbraw/zinc/10/41/06/804104106.db2.gz VACFKOSVLCXPMP-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP CCCOc1ccccc1C[N@@H+](CC)CCC[NH+](C)C ZINC001138999020 804104112 /nfs/dbraw/zinc/10/41/12/804104112.db2.gz VACFKOSVLCXPMP-UHFFFAOYSA-N 2 2 278.440 3.249 20 0 CGADLP Cc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccncc1 ZINC001246075677 804113716 /nfs/dbraw/zinc/11/37/16/804113716.db2.gz KFXFNQVWYKRKAT-KVSKMBFKSA-N 2 2 295.430 3.210 20 0 CGADLP F[C@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246106166 804138365 /nfs/dbraw/zinc/13/83/65/804138365.db2.gz DYZPXHMIGNCGNK-VQHPVUNQSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140794 804164039 /nfs/dbraw/zinc/16/40/39/804164039.db2.gz ICONINLJEJIKAL-ZMYBRWDISA-N 2 2 298.405 3.450 20 0 CGADLP CCCCCC[C@@H](CCCC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246155567 804172246 /nfs/dbraw/zinc/17/22/46/804172246.db2.gz ZYNBMYGYEYQONS-NCOADZHNSA-N 2 2 282.472 3.235 20 0 CGADLP F[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356681 804181117 /nfs/dbraw/zinc/18/11/17/804181117.db2.gz QPSNMWLAAAOFCE-HNNXBMFYSA-N 2 2 273.355 3.196 20 0 CGADLP F[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356681 804181121 /nfs/dbraw/zinc/18/11/21/804181121.db2.gz QPSNMWLAAAOFCE-HNNXBMFYSA-N 2 2 273.355 3.196 20 0 CGADLP CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246246325 804236728 /nfs/dbraw/zinc/23/67/28/804236728.db2.gz SYEBXHPRSSCQJV-KFOKOMITSA-N 2 2 250.430 3.409 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246311969 804273868 /nfs/dbraw/zinc/27/38/68/804273868.db2.gz AZPAZQQWAPYPHY-IMJJTQAJSA-N 2 2 260.425 3.491 20 0 CGADLP Fc1cccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCCCC2)c1 ZINC001246319947 804278963 /nfs/dbraw/zinc/27/89/63/804278963.db2.gz XPUJFYCESRJPJL-MRXNPFEDSA-N 2 2 276.399 3.327 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnc(F)c1 ZINC001139834360 804296719 /nfs/dbraw/zinc/29/67/19/804296719.db2.gz DLKZJKYPVKXVQX-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnc(F)c1 ZINC001139834360 804296726 /nfs/dbraw/zinc/29/67/26/804296726.db2.gz DLKZJKYPVKXVQX-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnc(F)c1 ZINC001139834360 804296733 /nfs/dbraw/zinc/29/67/33/804296733.db2.gz DLKZJKYPVKXVQX-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnc(F)c1 ZINC001139834360 804296740 /nfs/dbraw/zinc/29/67/40/804296740.db2.gz DLKZJKYPVKXVQX-JKSUJKDBSA-N 2 2 291.414 3.060 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2F)CC[NH2+]1 ZINC001246347599 804297570 /nfs/dbraw/zinc/29/75/70/804297570.db2.gz ALAFTHCREHYWBJ-HUUCEWRRSA-N 2 2 294.414 3.235 20 0 CGADLP Cc1cc(Cl)ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246347394 804297780 /nfs/dbraw/zinc/29/77/80/804297780.db2.gz GXYQCGCFZJAZFO-SCRDCRAPSA-N 2 2 266.816 3.440 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)C[NH2+]1 ZINC001246407406 804324536 /nfs/dbraw/zinc/32/45/36/804324536.db2.gz SIACXAKWUMLALY-XFBWCDHKSA-N 2 2 262.372 3.007 20 0 CGADLP FC(F)(F)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC001246411335 804325605 /nfs/dbraw/zinc/32/56/05/804325605.db2.gz BXKSCUZEQSBCME-UKRRQHHQSA-N 2 2 298.352 3.424 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246477123 804351829 /nfs/dbraw/zinc/35/18/29/804351829.db2.gz VXVJCZNQWHIIAM-PVAVHDDUSA-N 2 2 260.425 3.485 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCCCC1 ZINC001140023601 804356338 /nfs/dbraw/zinc/35/63/38/804356338.db2.gz SBDVUZFJLWUBSZ-UHFFFAOYSA-N 2 2 255.365 3.167 20 0 CGADLP CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246511098 804366664 /nfs/dbraw/zinc/36/66/64/804366664.db2.gz OXRGEGLSTYTSDI-CZUORRHYSA-N 2 2 264.413 3.253 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536179 804386220 /nfs/dbraw/zinc/38/62/20/804386220.db2.gz CTIXUOCSDWERBK-CVEARBPZSA-N 2 2 278.827 3.229 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246536179 804386229 /nfs/dbraw/zinc/38/62/29/804386229.db2.gz CTIXUOCSDWERBK-CVEARBPZSA-N 2 2 278.827 3.229 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553591 804404937 /nfs/dbraw/zinc/40/49/37/804404937.db2.gz ZIZDGYHSLKEWIU-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccncc2)CC[NH2+]1 ZINC001246553591 804404942 /nfs/dbraw/zinc/40/49/42/804404942.db2.gz ZIZDGYHSLKEWIU-APWZRJJASA-N 2 2 295.430 3.224 20 0 CGADLP [NH3+][C@@H]1C[C@@H](F)C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575460 804422582 /nfs/dbraw/zinc/42/25/82/804422582.db2.gz CWRJBVDRFNGICN-KFWWJZLASA-N 2 2 268.420 3.251 20 0 CGADLP [NH3+][C@@H]1C[C@@H](F)C[N@H+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246575460 804422585 /nfs/dbraw/zinc/42/25/85/804422585.db2.gz CWRJBVDRFNGICN-KFWWJZLASA-N 2 2 268.420 3.251 20 0 CGADLP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588294 804432184 /nfs/dbraw/zinc/43/21/84/804432184.db2.gz LEODFCZXHIORTC-AICCOOGYSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246588294 804432186 /nfs/dbraw/zinc/43/21/86/804432186.db2.gz LEODFCZXHIORTC-AICCOOGYSA-N 2 2 274.399 3.068 20 0 CGADLP C[C@]1(F)CC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246592401 804434178 /nfs/dbraw/zinc/43/41/78/804434178.db2.gz ZOXZBTMDBAJFGT-ZNMIVQPWSA-N 2 2 286.410 3.213 20 0 CGADLP C[C@]1(F)CC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C[C@H]1F ZINC001246592401 804434182 /nfs/dbraw/zinc/43/41/82/804434182.db2.gz ZOXZBTMDBAJFGT-ZNMIVQPWSA-N 2 2 286.410 3.213 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246598554 804437227 /nfs/dbraw/zinc/43/72/27/804437227.db2.gz AEDIHWFHRMNNLQ-QAPCUYQASA-N 2 2 272.436 3.008 20 0 CGADLP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@]23CCC[NH2+]C3)cc1 ZINC001246598554 804437230 /nfs/dbraw/zinc/43/72/30/804437230.db2.gz AEDIHWFHRMNNLQ-QAPCUYQASA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615149 804449879 /nfs/dbraw/zinc/44/98/79/804449879.db2.gz QKTSHQLNGCMFSB-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615149 804449882 /nfs/dbraw/zinc/44/98/82/804449882.db2.gz QKTSHQLNGCMFSB-QAPCUYQASA-N 2 2 290.426 3.365 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCC12CC[NH2+]CC2 ZINC001246640427 804468017 /nfs/dbraw/zinc/46/80/17/804468017.db2.gz CRWJDVGZORZBRJ-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CCC12CC[NH2+]CC2 ZINC001246640427 804468021 /nfs/dbraw/zinc/46/80/21/804468021.db2.gz CRWJDVGZORZBRJ-LBPRGKRZSA-N 2 2 296.817 3.238 20 0 CGADLP CCCCC(CCCC)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246646438 804474043 /nfs/dbraw/zinc/47/40/43/804474043.db2.gz DZHLVELBMARORK-QGZVFWFLSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCC(CCCC)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246646438 804474046 /nfs/dbraw/zinc/47/40/46/804474046.db2.gz DZHLVELBMARORK-QGZVFWFLSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647474 804475255 /nfs/dbraw/zinc/47/52/55/804475255.db2.gz SRVSAKSONPYSLQ-WBIUFABUSA-N 2 2 299.245 3.348 20 0 CGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246647474 804475260 /nfs/dbraw/zinc/47/52/60/804475260.db2.gz SRVSAKSONPYSLQ-WBIUFABUSA-N 2 2 299.245 3.348 20 0 CGADLP CCCCCC[C@H](CC)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648941 804476894 /nfs/dbraw/zinc/47/68/94/804476894.db2.gz NHMZJFJKYPATHI-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@H](CC)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246648941 804476896 /nfs/dbraw/zinc/47/68/96/804476896.db2.gz NHMZJFJKYPATHI-IRXDYDNUSA-N 2 2 282.472 3.190 20 0 CGADLP C[C@H]1CC([N@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H](C)C1 ZINC001246661001 804483256 /nfs/dbraw/zinc/48/32/56/804483256.db2.gz FCIPFYIENWLEEB-TUFGIGEDSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@H]1CC([N@@H+]2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H](C)C1 ZINC001246661001 804483259 /nfs/dbraw/zinc/48/32/59/804483259.db2.gz FCIPFYIENWLEEB-TUFGIGEDSA-N 2 2 284.447 3.382 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792222 804515049 /nfs/dbraw/zinc/51/50/49/804515049.db2.gz ONAHVPRCFBETRX-PVXIVEMSSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cc(F)ccc2F)CC[NH2+]1 ZINC001246792222 804515056 /nfs/dbraw/zinc/51/50/56/804515056.db2.gz ONAHVPRCFBETRX-PVXIVEMSSA-N 2 2 280.362 3.242 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001246819437 804534210 /nfs/dbraw/zinc/53/42/10/804534210.db2.gz GDBMFPTZVSUYFL-ILXRZTDVSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1ccc(SC[C@H](C)[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001246819437 804534213 /nfs/dbraw/zinc/53/42/13/804534213.db2.gz GDBMFPTZVSUYFL-ILXRZTDVSA-N 2 2 278.465 3.287 20 0 CGADLP Cc1c[nH]c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001140864647 804539064 /nfs/dbraw/zinc/53/90/64/804539064.db2.gz ZYUUUYMLHUUGCD-UHFFFAOYSA-N 2 2 289.467 3.470 20 0 CGADLP Cc1c[nH]c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1C ZINC001140864647 804539067 /nfs/dbraw/zinc/53/90/67/804539067.db2.gz ZYUUUYMLHUUGCD-UHFFFAOYSA-N 2 2 289.467 3.470 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@H](C)CC[NH2+]C ZINC001246846730 804556266 /nfs/dbraw/zinc/55/62/66/804556266.db2.gz QNCIYJMUGTVXOP-OAGGEKHMSA-N 2 2 270.461 3.248 20 0 CGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H](C)CC[NH2+]C ZINC001246846730 804556272 /nfs/dbraw/zinc/55/62/72/804556272.db2.gz QNCIYJMUGTVXOP-OAGGEKHMSA-N 2 2 270.461 3.248 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871389 804573461 /nfs/dbraw/zinc/57/34/61/804573461.db2.gz YXCWGJOSTAPYFL-CZUORRHYSA-N 2 2 278.827 3.432 20 0 CGADLP CC(C)[C@H]1C[C@H]([N@H+]2Cc3cccc(Cl)c3C2)CC[NH2+]1 ZINC001246871389 804573463 /nfs/dbraw/zinc/57/34/63/804573463.db2.gz YXCWGJOSTAPYFL-CZUORRHYSA-N 2 2 278.827 3.432 20 0 CGADLP FC1CC2(C1)CCC[N@H+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141046817 804578095 /nfs/dbraw/zinc/57/80/95/804578095.db2.gz QRCCZBXOVNSMGF-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP FC1CC2(C1)CCC[N@@H+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141046817 804578100 /nfs/dbraw/zinc/57/81/00/804578100.db2.gz QRCCZBXOVNSMGF-UHFFFAOYSA-N 2 2 287.382 3.439 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887981 804581720 /nfs/dbraw/zinc/58/17/20/804581720.db2.gz RRMPKJMWGXUNAN-FFSVYQOJSA-N 2 2 280.362 3.242 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC[NH2+]1 ZINC001246887981 804581726 /nfs/dbraw/zinc/58/17/26/804581726.db2.gz RRMPKJMWGXUNAN-FFSVYQOJSA-N 2 2 280.362 3.242 20 0 CGADLP COc1cccc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C2)c1 ZINC001246927054 804603636 /nfs/dbraw/zinc/60/36/36/804603636.db2.gz FTBCSDVFUIGXCI-UAGQMJEPSA-N 2 2 288.435 3.015 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C2)c1 ZINC001246927054 804603640 /nfs/dbraw/zinc/60/36/40/804603640.db2.gz FTBCSDVFUIGXCI-UAGQMJEPSA-N 2 2 288.435 3.015 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246940640 804610469 /nfs/dbraw/zinc/61/04/69/804610469.db2.gz JLFMMIJAHUEQQC-QGZVFWFLSA-N 3 2 295.515 3.105 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246940640 804610473 /nfs/dbraw/zinc/61/04/73/804610473.db2.gz JLFMMIJAHUEQQC-QGZVFWFLSA-N 3 2 295.515 3.105 20 0 CGADLP C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246966244 804620934 /nfs/dbraw/zinc/62/09/34/804620934.db2.gz RBQNBQNIQXRJOL-YOEHRIQHSA-N 2 2 258.409 3.182 20 0 CGADLP C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246966244 804620939 /nfs/dbraw/zinc/62/09/39/804620939.db2.gz RBQNBQNIQXRJOL-YOEHRIQHSA-N 2 2 258.409 3.182 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246980865 804627046 /nfs/dbraw/zinc/62/70/46/804627046.db2.gz MBZAXGKGDLTUCK-AAEUAGOBSA-N 2 2 286.872 3.490 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246980865 804627052 /nfs/dbraw/zinc/62/70/52/804627052.db2.gz MBZAXGKGDLTUCK-AAEUAGOBSA-N 2 2 286.872 3.490 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)ccc2n1 ZINC001141485302 804646822 /nfs/dbraw/zinc/64/68/22/804646822.db2.gz XSEBHPJNMLSXTI-IEBWSBKVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)ccc2n1 ZINC001141485302 804646823 /nfs/dbraw/zinc/64/68/23/804646823.db2.gz XSEBHPJNMLSXTI-IEBWSBKVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2n1 ZINC001141485302 804646827 /nfs/dbraw/zinc/64/68/27/804646827.db2.gz XSEBHPJNMLSXTI-IEBWSBKVSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)ccc2n1 ZINC001141485302 804646829 /nfs/dbraw/zinc/64/68/29/804646829.db2.gz XSEBHPJNMLSXTI-IEBWSBKVSA-N 2 2 295.430 3.069 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(SC)s3)C[C@H]2C1 ZINC001142031173 804690729 /nfs/dbraw/zinc/69/07/29/804690729.db2.gz BQNFLERLBRDGLO-CHWSQXEVSA-N 2 2 296.505 3.244 20 0 CGADLP FC1(F)CC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143021597 804796830 /nfs/dbraw/zinc/79/68/30/804796830.db2.gz BVWJSFZVXPBURH-UHFFFAOYSA-N 2 2 291.345 3.346 20 0 CGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541963 804947124 /nfs/dbraw/zinc/94/71/24/804947124.db2.gz RBGBIYUEHYFYHC-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541963 804947126 /nfs/dbraw/zinc/94/71/26/804947126.db2.gz RBGBIYUEHYFYHC-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541963 804947131 /nfs/dbraw/zinc/94/71/31/804947131.db2.gz RBGBIYUEHYFYHC-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c4ccoc4ccc3F)C2)C1 ZINC001248541963 804947133 /nfs/dbraw/zinc/94/71/33/804947133.db2.gz RBGBIYUEHYFYHC-KRWDZBQOSA-N 2 2 288.366 3.100 20 0 CGADLP CSc1cc(NCC2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC001166593962 807060856 /nfs/dbraw/zinc/06/08/56/807060856.db2.gz HRHHCSAPSXQDJC-UHFFFAOYSA-N 2 2 294.468 3.039 20 0 CGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C2CC2)CC1 ZINC001257211544 807061479 /nfs/dbraw/zinc/06/14/79/807061479.db2.gz HPPBBZHGJWDVBI-QGZVFWFLSA-N 2 2 291.414 3.134 20 0 CGADLP Cc1cc2cc(NCC3CC[NH+](C(C)C)CC3)[nH+]cc2[nH]1 ZINC001166602928 807062980 /nfs/dbraw/zinc/06/29/80/807062980.db2.gz CDJFSUCTTCWSCS-UHFFFAOYSA-N 2 2 286.423 3.404 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001257217384 807065552 /nfs/dbraw/zinc/06/55/52/807065552.db2.gz MRHHCYMNYGWWPH-GOEBONIOSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001257217384 807065562 /nfs/dbraw/zinc/06/55/62/807065562.db2.gz MRHHCYMNYGWWPH-GOEBONIOSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001257219048 807065645 /nfs/dbraw/zinc/06/56/45/807065645.db2.gz CILUECSGNDTEPH-GFCCVEGCSA-N 2 2 278.362 3.134 20 0 CGADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001257219048 807065653 /nfs/dbraw/zinc/06/56/53/807065653.db2.gz CILUECSGNDTEPH-GFCCVEGCSA-N 2 2 278.362 3.134 20 0 CGADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2OC)CC1 ZINC001257429568 807152432 /nfs/dbraw/zinc/15/24/32/807152432.db2.gz SERHIFXCRVRLDZ-CQSZACIVSA-N 2 2 276.424 3.048 20 0 CGADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+]([C@H]1CCCSC1)CC2 ZINC001257670515 807211454 /nfs/dbraw/zinc/21/14/54/807211454.db2.gz AQFXRQNCLJLGNL-INIZCTEOSA-N 2 2 294.508 3.222 20 0 CGADLP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@H]1CCCSC1)CC2 ZINC001257670515 807211457 /nfs/dbraw/zinc/21/14/57/807211457.db2.gz AQFXRQNCLJLGNL-INIZCTEOSA-N 2 2 294.508 3.222 20 0 CGADLP Cc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]c2cc[nH]c21 ZINC001167626678 807219416 /nfs/dbraw/zinc/21/94/16/807219416.db2.gz QSASKSGSNBEHTO-UHFFFAOYSA-N 2 2 286.423 3.356 20 0 CGADLP CC(C)C[NH+]1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001258017361 807267682 /nfs/dbraw/zinc/26/76/82/807267682.db2.gz FWMOPWSDWCJXRU-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP CC(C)C[NH+]1CCC([N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001258017361 807267687 /nfs/dbraw/zinc/26/76/87/807267687.db2.gz FWMOPWSDWCJXRU-UHFFFAOYSA-N 2 2 290.426 3.304 20 0 CGADLP C[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001167931861 807276981 /nfs/dbraw/zinc/27/69/81/807276981.db2.gz QBSHWPAZRDZGNA-IZZQQSIFSA-N 2 2 284.447 3.381 20 0 CGADLP C[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001167931861 807276988 /nfs/dbraw/zinc/27/69/88/807276988.db2.gz QBSHWPAZRDZGNA-IZZQQSIFSA-N 2 2 284.447 3.381 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059676 807282150 /nfs/dbraw/zinc/28/21/50/807282150.db2.gz FYOKDISEEJMGNX-IAGOWNOFSA-N 3 2 285.520 3.050 20 0 CGADLP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258059676 807282154 /nfs/dbraw/zinc/28/21/54/807282154.db2.gz FYOKDISEEJMGNX-IAGOWNOFSA-N 3 2 285.520 3.050 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 ZINC001168225158 807357185 /nfs/dbraw/zinc/35/71/85/807357185.db2.gz TUTJRKJBNPGATA-AVVWSFFYSA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCC(C)CC2)C1 ZINC001168225158 807357198 /nfs/dbraw/zinc/35/71/98/807357198.db2.gz TUTJRKJBNPGATA-AVVWSFFYSA-N 2 2 274.408 3.422 20 0 CGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168399461 807405395 /nfs/dbraw/zinc/40/53/95/807405395.db2.gz BGUUZQLCEYMKBQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168399461 807405397 /nfs/dbraw/zinc/40/53/97/807405397.db2.gz BGUUZQLCEYMKBQ-IBGZPJMESA-N 2 2 298.405 3.144 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258443434 807453176 /nfs/dbraw/zinc/45/31/76/807453176.db2.gz MIXKIIHFDQFGDC-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258443434 807453178 /nfs/dbraw/zinc/45/31/78/807453178.db2.gz MIXKIIHFDQFGDC-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258443434 807453181 /nfs/dbraw/zinc/45/31/81/807453181.db2.gz MIXKIIHFDQFGDC-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258443434 807453184 /nfs/dbraw/zinc/45/31/84/807453184.db2.gz MIXKIIHFDQFGDC-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(OC(F)F)[nH+]1 ZINC001168602261 807453882 /nfs/dbraw/zinc/45/38/82/807453882.db2.gz HVNJKEKPMPWZNF-STQMWFEESA-N 2 2 299.365 3.276 20 0 CGADLP C[C@@H](CC1CC1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258466451 807466309 /nfs/dbraw/zinc/46/63/09/807466309.db2.gz QLYBSWGCTOMCGV-IPELMVKDSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H](CC1CC1)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258466451 807466315 /nfs/dbraw/zinc/46/63/15/807466315.db2.gz QLYBSWGCTOMCGV-IPELMVKDSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H](CC1CC1)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258466451 807466320 /nfs/dbraw/zinc/46/63/20/807466320.db2.gz QLYBSWGCTOMCGV-IPELMVKDSA-N 2 2 299.462 3.024 20 0 CGADLP C[C@@H](CC1CC1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258466451 807466327 /nfs/dbraw/zinc/46/63/27/807466327.db2.gz QLYBSWGCTOMCGV-IPELMVKDSA-N 2 2 299.462 3.024 20 0 CGADLP CC(C)[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258608213 807504670 /nfs/dbraw/zinc/50/46/70/807504670.db2.gz FUXBSIHHIDPMLO-OAHLLOKOSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258608213 807504672 /nfs/dbraw/zinc/50/46/72/807504672.db2.gz FUXBSIHHIDPMLO-OAHLLOKOSA-N 2 2 252.446 3.370 20 0 CGADLP Cc1cc[nH+]c(NCCc2cn3ccccc3[nH+]2)c1C ZINC001169002463 807549827 /nfs/dbraw/zinc/54/98/27/807549827.db2.gz NVBDPYORSDQKIA-UHFFFAOYSA-N 2 2 266.348 3.001 20 0 CGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258696225 807552278 /nfs/dbraw/zinc/55/22/78/807552278.db2.gz CIBCXSFTOZJXPD-WBVHZDCISA-N 2 2 296.499 3.244 20 0 CGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258696225 807552280 /nfs/dbraw/zinc/55/22/80/807552280.db2.gz CIBCXSFTOZJXPD-WBVHZDCISA-N 2 2 296.499 3.244 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001169049764 807559987 /nfs/dbraw/zinc/55/99/87/807559987.db2.gz KMEQQSLBGJOQQS-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001169049764 807559992 /nfs/dbraw/zinc/55/99/92/807559992.db2.gz KMEQQSLBGJOQQS-ROUUACIJSA-N 2 2 274.452 3.328 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001169107116 807577688 /nfs/dbraw/zinc/57/76/88/807577688.db2.gz CXYAFVUWZNZJKK-ZSOGYDGISA-N 2 2 274.383 3.030 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001169107116 807577691 /nfs/dbraw/zinc/57/76/91/807577691.db2.gz CXYAFVUWZNZJKK-ZSOGYDGISA-N 2 2 274.383 3.030 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258743813 807586800 /nfs/dbraw/zinc/58/68/00/807586800.db2.gz KFQHHTOHTUYQEY-CYBMUJFWSA-N 2 2 290.794 3.335 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)o2)CC1 ZINC001258771145 807605054 /nfs/dbraw/zinc/60/50/54/807605054.db2.gz WHEIBZRXEADTKX-UHFFFAOYSA-N 2 2 290.329 3.262 20 0 CGADLP CCC[NH+]1CCC([N@@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258778021 807606627 /nfs/dbraw/zinc/60/66/27/807606627.db2.gz RRICRQSJVZCRNI-HNNXBMFYSA-N 2 2 292.467 3.085 20 0 CGADLP CCC[NH+]1CCC([N@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001258778021 807606633 /nfs/dbraw/zinc/60/66/33/807606633.db2.gz RRICRQSJVZCRNI-HNNXBMFYSA-N 2 2 292.467 3.085 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC1 ZINC001169237955 807611578 /nfs/dbraw/zinc/61/15/78/807611578.db2.gz DEDCPCXJHSVRRJ-LBPRGKRZSA-N 2 2 282.378 3.408 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258797197 807619103 /nfs/dbraw/zinc/61/91/03/807619103.db2.gz KUUORUQSVQWARL-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258797197 807619106 /nfs/dbraw/zinc/61/91/06/807619106.db2.gz KUUORUQSVQWARL-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258797197 807619110 /nfs/dbraw/zinc/61/91/10/807619110.db2.gz KUUORUQSVQWARL-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](C)C[C@H](CC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258797197 807619113 /nfs/dbraw/zinc/61/91/13/807619113.db2.gz KUUORUQSVQWARL-YHUYYLMFSA-N 2 2 252.446 3.227 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258845809 807656374 /nfs/dbraw/zinc/65/63/74/807656374.db2.gz HLNOITBJJZNQBW-MRXNPFEDSA-N 2 2 269.392 3.028 20 0 CGADLP CC[C@H](Cc1ccccc1)[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001258845809 807656379 /nfs/dbraw/zinc/65/63/79/807656379.db2.gz HLNOITBJJZNQBW-MRXNPFEDSA-N 2 2 269.392 3.028 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001170109149 807759129 /nfs/dbraw/zinc/75/91/29/807759129.db2.gz KVSWPNGXYILSEP-NEWSRXKRSA-N 2 2 286.463 3.472 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001170109343 807760461 /nfs/dbraw/zinc/76/04/61/807760461.db2.gz NXXSPQBMVXBKMJ-GDBMZVCRSA-N 2 2 273.424 3.076 20 0 CGADLP CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1SC)C[NH+](C)C ZINC001262206854 807838645 /nfs/dbraw/zinc/83/86/45/807838645.db2.gz MWUVBNJVWKEMCA-KBPBESRZSA-N 2 2 296.480 3.026 20 0 CGADLP Cc1[nH+]ccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1F ZINC001170686615 807873791 /nfs/dbraw/zinc/87/37/91/807873791.db2.gz VSOSWLOBMSUITR-NSHDSACASA-N 2 2 296.349 3.402 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724071 807886415 /nfs/dbraw/zinc/88/64/15/807886415.db2.gz CHYMYSHGQBXICO-JONQDZQNSA-N 2 2 264.457 3.131 20 0 CGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(Oc4cc[nH+]cc4)CC3)C[C@@H]21 ZINC001170747326 807898894 /nfs/dbraw/zinc/89/88/94/807898894.db2.gz RXSPASXGSNIBJT-FFGGFLGDSA-N 2 2 286.419 3.359 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170887945 807925866 /nfs/dbraw/zinc/92/58/66/807925866.db2.gz ADWYLJYPHJWNQB-AWEZNQCLSA-N 2 2 280.843 3.129 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171393946 808044627 /nfs/dbraw/zinc/04/46/27/808044627.db2.gz QXTOGQZJMDKBIY-INIZCTEOSA-N 2 2 290.426 3.005 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171433209 808055022 /nfs/dbraw/zinc/05/50/22/808055022.db2.gz KIJDTWXCIGJNKN-INIZCTEOSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171433209 808055031 /nfs/dbraw/zinc/05/50/31/808055031.db2.gz KIJDTWXCIGJNKN-INIZCTEOSA-N 2 2 290.426 3.099 20 0 CGADLP Cc1cccc2c1CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171575359 808102788 /nfs/dbraw/zinc/10/27/88/808102788.db2.gz VIJMYGWTMPKOGM-IRXDYDNUSA-N 2 2 295.430 3.389 20 0 CGADLP CC[NH+]1CCC([N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639942 808110608 /nfs/dbraw/zinc/11/06/08/808110608.db2.gz VZDGWXSVLSBKAS-UHFFFAOYSA-N 3 2 295.515 3.054 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171639942 808110611 /nfs/dbraw/zinc/11/06/11/808110611.db2.gz VZDGWXSVLSBKAS-UHFFFAOYSA-N 3 2 295.515 3.054 20 0 CGADLP c1cn(CC[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC001172530925 808369434 /nfs/dbraw/zinc/36/94/34/808369434.db2.gz FDOHWNUENREABX-SJORKVTESA-N 2 2 269.392 3.199 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551348 808378841 /nfs/dbraw/zinc/37/88/41/808378841.db2.gz OGZFVUOZRMSWRG-KURKYZTESA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551348 808378847 /nfs/dbraw/zinc/37/88/47/808378847.db2.gz OGZFVUOZRMSWRG-KURKYZTESA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172881944 808474935 /nfs/dbraw/zinc/47/49/35/808474935.db2.gz JXPLYJOGOGVVCR-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172881944 808474938 /nfs/dbraw/zinc/47/49/38/808474938.db2.gz JXPLYJOGOGVVCR-AAEUAGOBSA-N 2 2 284.856 3.244 20 0 CGADLP CO[C@H]1CCC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001172930839 808487074 /nfs/dbraw/zinc/48/70/74/808487074.db2.gz RZOMKMANUXVUHP-CVEARBPZSA-N 2 2 285.391 3.139 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCC2)cc1 ZINC001173235897 808544795 /nfs/dbraw/zinc/54/47/95/808544795.db2.gz CHWVQTFYSCIXBF-INIZCTEOSA-N 2 2 274.452 3.256 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001173236632 808546083 /nfs/dbraw/zinc/54/60/83/808546083.db2.gz BDHRFHFINUWZMY-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CCc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1 ZINC001173236632 808546088 /nfs/dbraw/zinc/54/60/88/808546088.db2.gz BDHRFHFINUWZMY-YJBOKZPZSA-N 2 2 274.452 3.254 20 0 CGADLP CC[C@H]1CC[C@H](n2c[nH+]c(C)c2CSCC[NH3+])C1 ZINC001173263807 808568995 /nfs/dbraw/zinc/56/89/95/808568995.db2.gz NFGZNOLFJUJZAA-STQMWFEESA-N 2 2 267.442 3.135 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001173278338 808581408 /nfs/dbraw/zinc/58/14/08/808581408.db2.gz YZLVQUIOKZZVNM-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001173278338 808581413 /nfs/dbraw/zinc/58/14/13/808581413.db2.gz YZLVQUIOKZZVNM-ILXRZTDVSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001274999342 808897777 /nfs/dbraw/zinc/89/77/77/808897777.db2.gz ZNUQAUTWVGODDF-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001274999342 808897782 /nfs/dbraw/zinc/89/77/82/808897782.db2.gz ZNUQAUTWVGODDF-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001274999342 808897787 /nfs/dbraw/zinc/89/77/87/808897787.db2.gz ZNUQAUTWVGODDF-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001274999342 808897793 /nfs/dbraw/zinc/89/77/93/808897793.db2.gz ZNUQAUTWVGODDF-QGZVFWFLSA-N 2 2 276.399 3.052 20 0 CGADLP CC[C@@H](C)C[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066068 808903174 /nfs/dbraw/zinc/90/31/74/808903174.db2.gz QGKRTDQSKIJRIU-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275066068 808903180 /nfs/dbraw/zinc/90/31/80/808903180.db2.gz QGKRTDQSKIJRIU-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275066068 808903184 /nfs/dbraw/zinc/90/31/84/808903184.db2.gz QGKRTDQSKIJRIU-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP CC[C@@H](C)C[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275066068 808903188 /nfs/dbraw/zinc/90/31/88/808903188.db2.gz QGKRTDQSKIJRIU-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275145784 808916907 /nfs/dbraw/zinc/91/69/07/808916907.db2.gz QCPGUOBPVHZFIK-MRXNPFEDSA-N 2 2 264.457 3.397 20 0 CGADLP CC(C)=CCC[C@@H](C)CC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275145784 808916913 /nfs/dbraw/zinc/91/69/13/808916913.db2.gz QCPGUOBPVHZFIK-MRXNPFEDSA-N 2 2 264.457 3.397 20 0 CGADLP Cc1[nH+]c2c(Nc3ccc4[nH+]ccn4c3)cccn2c1C ZINC001174278880 808927196 /nfs/dbraw/zinc/92/71/96/808927196.db2.gz QGRNFDOKJGTUHR-UHFFFAOYSA-N 2 2 277.331 3.342 20 0 CGADLP C[N@@H+]1CCC2(C[NH+](CCC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC001276047350 808986008 /nfs/dbraw/zinc/98/60/08/808986008.db2.gz MQXCKBKAOVSONP-UHFFFAOYSA-N 2 2 288.479 3.230 20 0 CGADLP C[N@H+]1CCC2(C[NH+](CCC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC001276047350 808986009 /nfs/dbraw/zinc/98/60/09/808986009.db2.gz MQXCKBKAOVSONP-UHFFFAOYSA-N 2 2 288.479 3.230 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C(C)(C)C)c1 ZINC001276598359 809019083 /nfs/dbraw/zinc/01/90/83/809019083.db2.gz ZBFJKXWRQNMWID-MQVJKMGUSA-N 2 2 287.451 3.094 20 0 CGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(C(C)(C)C)c1 ZINC001276598359 809019090 /nfs/dbraw/zinc/01/90/90/809019090.db2.gz ZBFJKXWRQNMWID-MQVJKMGUSA-N 2 2 287.451 3.094 20 0 CGADLP CC1=CC[C@H](CC[NH+]2CC3(C2)CC[N@@H+](C)C3)C1(C)C ZINC001276653589 809024353 /nfs/dbraw/zinc/02/43/53/809024353.db2.gz LASXLFUWZCKRKD-OAHLLOKOSA-N 2 2 262.441 3.006 20 0 CGADLP CC1=CC[C@H](CC[NH+]2CC3(C2)CC[N@H+](C)C3)C1(C)C ZINC001276653589 809024361 /nfs/dbraw/zinc/02/43/61/809024361.db2.gz LASXLFUWZCKRKD-OAHLLOKOSA-N 2 2 262.441 3.006 20 0 CGADLP C[N@@H+]1CCC=C(Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC001175578781 809460075 /nfs/dbraw/zinc/46/00/75/809460075.db2.gz JQXFSQFKMQWEPR-UHFFFAOYSA-N 2 2 271.408 3.308 20 0 CGADLP C[N@H+]1CCC=C(Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC001175578781 809460077 /nfs/dbraw/zinc/46/00/77/809460077.db2.gz JQXFSQFKMQWEPR-UHFFFAOYSA-N 2 2 271.408 3.308 20 0 CGADLP CC[NH+]1CCN(c2ccc(Nc3cc(C)cc[nH+]3)cc2)CC1 ZINC001175779478 809541655 /nfs/dbraw/zinc/54/16/55/809541655.db2.gz HVHMSHPCCBJTRP-UHFFFAOYSA-N 2 2 296.418 3.276 20 0 CGADLP c1cn(CCCC[NH2+]C2CCC3(CCC3)CC2)c[nH+]1 ZINC001177446279 809798096 /nfs/dbraw/zinc/79/80/96/809798096.db2.gz GMCHCGAVNJYZMO-UHFFFAOYSA-N 2 2 261.413 3.366 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001182844171 810126649 /nfs/dbraw/zinc/12/66/49/810126649.db2.gz KUOAJNKPBYRUPH-CVEARBPZSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC001182844171 810126652 /nfs/dbraw/zinc/12/66/52/810126652.db2.gz KUOAJNKPBYRUPH-CVEARBPZSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001182855187 810127773 /nfs/dbraw/zinc/12/77/73/810127773.db2.gz NISAJRBGOQJWEC-HZPDHXFCSA-N 2 2 272.436 3.179 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC001182855187 810127776 /nfs/dbraw/zinc/12/77/76/810127776.db2.gz NISAJRBGOQJWEC-HZPDHXFCSA-N 2 2 272.436 3.179 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC001183045389 810135422 /nfs/dbraw/zinc/13/54/22/810135422.db2.gz JAFYYHSJKFIFIH-QYZOEREBSA-N 2 2 286.463 3.472 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC001183045389 810135426 /nfs/dbraw/zinc/13/54/26/810135426.db2.gz JAFYYHSJKFIFIH-QYZOEREBSA-N 2 2 286.463 3.472 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001183238305 810141678 /nfs/dbraw/zinc/14/16/78/810141678.db2.gz JSHJOEJCWKUKLL-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@H]1CC[N@H+]1C1CCCC1 ZINC001183238305 810141684 /nfs/dbraw/zinc/14/16/84/810141684.db2.gz JSHJOEJCWKUKLL-PQEBFOHHSA-N 2 2 262.441 3.172 20 0 CGADLP CC[NH+]1CCC(CNc2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC001184999380 810228442 /nfs/dbraw/zinc/22/84/42/810228442.db2.gz YVCRXGUGHXCQBC-UHFFFAOYSA-N 2 2 288.439 3.196 20 0 CGADLP Cc1nc(NCCC[N@@H+](C)CC(C)C)c2c([nH+]1)CCCC2 ZINC001186922490 810373747 /nfs/dbraw/zinc/37/37/47/810373747.db2.gz ORGMUWWMSKACLV-UHFFFAOYSA-N 2 2 290.455 3.054 20 0 CGADLP Cc1nc(NCCC[N@H+](C)CC(C)C)c2c([nH+]1)CCCC2 ZINC001186922490 810373759 /nfs/dbraw/zinc/37/37/59/810373759.db2.gz ORGMUWWMSKACLV-UHFFFAOYSA-N 2 2 290.455 3.054 20 0 CGADLP CC[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140849 811480432 /nfs/dbraw/zinc/48/04/32/811480432.db2.gz OPGQPBYJZQBFNX-QGZVFWFLSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140849 811480435 /nfs/dbraw/zinc/48/04/35/811480435.db2.gz OPGQPBYJZQBFNX-QGZVFWFLSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140849 811480439 /nfs/dbraw/zinc/48/04/39/811480439.db2.gz OPGQPBYJZQBFNX-QGZVFWFLSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140849 811480444 /nfs/dbraw/zinc/48/04/44/811480444.db2.gz OPGQPBYJZQBFNX-QGZVFWFLSA-N 2 2 290.451 3.009 20 0 CGADLP CCCCOCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001198952779 811553122 /nfs/dbraw/zinc/55/31/22/811553122.db2.gz XWJKKKWUICXNKU-UHFFFAOYSA-N 2 2 293.436 3.230 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC001199268399 811568531 /nfs/dbraw/zinc/56/85/31/811568531.db2.gz WWJZMQTWNBTVBN-HYVNUMGLSA-N 2 2 264.457 3.300 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC001199268399 811568540 /nfs/dbraw/zinc/56/85/40/811568540.db2.gz WWJZMQTWNBTVBN-HYVNUMGLSA-N 2 2 264.457 3.300 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001202281888 812056731 /nfs/dbraw/zinc/05/67/31/812056731.db2.gz WNUNUJSSYWNDKT-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001202281888 812056741 /nfs/dbraw/zinc/05/67/41/812056741.db2.gz WNUNUJSSYWNDKT-QLFBSQMISA-N 2 2 252.446 3.275 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001203160250 812257098 /nfs/dbraw/zinc/25/70/98/812257098.db2.gz ALDAOCVQAQUBGM-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001203160250 812257104 /nfs/dbraw/zinc/25/71/04/812257104.db2.gz ALDAOCVQAQUBGM-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP CCc1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC001203243404 812279107 /nfs/dbraw/zinc/27/91/07/812279107.db2.gz KNFNYKRGVDSKOR-ZFWWWQNUSA-N 2 2 261.413 3.435 20 0 CGADLP CCc1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC001203243404 812279115 /nfs/dbraw/zinc/27/91/15/812279115.db2.gz KNFNYKRGVDSKOR-ZFWWWQNUSA-N 2 2 261.413 3.435 20 0 CGADLP C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2)o1)[NH+](C)C ZINC001203269794 812286793 /nfs/dbraw/zinc/28/67/93/812286793.db2.gz DESQMKMXJKQTGM-CQSZACIVSA-N 2 2 272.392 3.376 20 0 CGADLP CNc1ccc(Nc2cc[nH+]cc2Oc2ccccc2)c[nH+]1 ZINC001203447043 812359273 /nfs/dbraw/zinc/35/92/73/812359273.db2.gz IZGKWLXODWLOTR-UHFFFAOYSA-N 2 2 292.342 3.476 20 0 CGADLP CNc1ccc(Nc2ccccc2C[NH+]2CCCC2)c[nH+]1 ZINC001203456585 812365445 /nfs/dbraw/zinc/36/54/45/812365445.db2.gz LGLVDVSDWJXBNR-UHFFFAOYSA-N 2 2 282.391 3.463 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001203969320 812504244 /nfs/dbraw/zinc/50/42/44/812504244.db2.gz FGTPHXGVPWZBDQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001203969320 812504246 /nfs/dbraw/zinc/50/42/46/812504246.db2.gz FGTPHXGVPWZBDQ-UHFFFAOYSA-N 2 2 276.424 3.001 20 0 CGADLP CC(C)[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204226706 812577888 /nfs/dbraw/zinc/57/78/88/812577888.db2.gz MCOSBIXOLBLVCC-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC(C)[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204226706 812577894 /nfs/dbraw/zinc/57/78/94/812577894.db2.gz MCOSBIXOLBLVCC-UHFFFAOYSA-N 2 2 282.378 3.269 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2ccccc2n1 ZINC001204507718 812658725 /nfs/dbraw/zinc/65/87/25/812658725.db2.gz VBADPXXIGRFXCS-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ccccc2n1 ZINC001204507718 812658729 /nfs/dbraw/zinc/65/87/29/812658729.db2.gz VBADPXXIGRFXCS-UHFFFAOYSA-N 2 2 271.408 3.008 20 0 CGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1F ZINC001204562172 812677438 /nfs/dbraw/zinc/67/74/38/812677438.db2.gz IOWUXFUHRLFEFR-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1F ZINC001204562172 812677467 /nfs/dbraw/zinc/67/74/67/812677467.db2.gz IOWUXFUHRLFEFR-UHFFFAOYSA-N 2 2 294.414 3.139 20 0 CGADLP c1csc(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204667357 812704364 /nfs/dbraw/zinc/70/43/64/812704364.db2.gz JGELFMVMNYOFAD-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP c1csc(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204667357 812704369 /nfs/dbraw/zinc/70/43/69/812704369.db2.gz JGELFMVMNYOFAD-UHFFFAOYSA-N 2 2 272.417 3.210 20 0 CGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC12CC2 ZINC001204903775 812769678 /nfs/dbraw/zinc/76/96/78/812769678.db2.gz DNIMQIORELESGD-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)CC12CC2 ZINC001204903775 812769686 /nfs/dbraw/zinc/76/96/86/812769686.db2.gz DNIMQIORELESGD-GOSISDBHSA-N 2 2 296.389 3.416 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])C2)ccc1OC(C)C ZINC001204945567 812791771 /nfs/dbraw/zinc/79/17/71/812791771.db2.gz HFFQLJHBBNDXNR-KRWDZBQOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])C2)ccc1OC(C)C ZINC001204945567 812791776 /nfs/dbraw/zinc/79/17/76/812791776.db2.gz HFFQLJHBBNDXNR-KRWDZBQOSA-N 2 2 276.424 3.095 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205082793 812853803 /nfs/dbraw/zinc/85/38/03/812853803.db2.gz JMYFVRCMMOKHTB-ZFWWWQNUSA-N 2 2 276.424 3.176 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccc(OC(C)(C)C)c1 ZINC001205082793 812853813 /nfs/dbraw/zinc/85/38/13/812853813.db2.gz JMYFVRCMMOKHTB-ZFWWWQNUSA-N 2 2 276.424 3.176 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205093662 812859019 /nfs/dbraw/zinc/85/90/19/812859019.db2.gz DJMJMHRMDAKQTB-GFCCVEGCSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205093662 812859028 /nfs/dbraw/zinc/85/90/28/812859028.db2.gz DJMJMHRMDAKQTB-GFCCVEGCSA-N 2 2 290.304 3.158 20 0 CGADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205110681 812870145 /nfs/dbraw/zinc/87/01/45/812870145.db2.gz YBYNVEXHDUVDLR-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC001205110681 812870151 /nfs/dbraw/zinc/87/01/51/812870151.db2.gz YBYNVEXHDUVDLR-CQSZACIVSA-N 2 2 287.432 3.123 20 0 CGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC001205718423 813059825 /nfs/dbraw/zinc/05/98/25/813059825.db2.gz ZHWJTHOOVSRWQW-INIZCTEOSA-N 2 2 290.451 3.308 20 0 CGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC001205718423 813059831 /nfs/dbraw/zinc/05/98/31/813059831.db2.gz ZHWJTHOOVSRWQW-INIZCTEOSA-N 2 2 290.451 3.308 20 0 CGADLP Cc1c(Cl)cccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796029 813081277 /nfs/dbraw/zinc/08/12/77/813081277.db2.gz NFTDKWGQPQIMAK-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP Cc1c(Cl)cccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796029 813081284 /nfs/dbraw/zinc/08/12/84/813081284.db2.gz NFTDKWGQPQIMAK-LBPRGKRZSA-N 2 2 288.769 3.064 20 0 CGADLP CC(C)COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205816214 813092028 /nfs/dbraw/zinc/09/20/28/813092028.db2.gz KONGUGYFVDEWKK-NVXWUHKLSA-N 2 2 290.451 3.281 20 0 CGADLP CC(C)COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205816214 813092035 /nfs/dbraw/zinc/09/20/35/813092035.db2.gz KONGUGYFVDEWKK-NVXWUHKLSA-N 2 2 290.451 3.281 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205829024 813100480 /nfs/dbraw/zinc/10/04/80/813100480.db2.gz NSHQRMGDQZHHIY-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205829024 813100485 /nfs/dbraw/zinc/10/04/85/813100485.db2.gz NSHQRMGDQZHHIY-CJNGLKHVSA-N 2 2 299.418 3.209 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205880961 813117699 /nfs/dbraw/zinc/11/76/99/813117699.db2.gz UMFXIEQRIZZXGJ-PBHICJAKSA-N 2 2 260.425 3.198 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205880961 813117704 /nfs/dbraw/zinc/11/77/04/813117704.db2.gz UMFXIEQRIZZXGJ-PBHICJAKSA-N 2 2 260.425 3.198 20 0 CGADLP CSc1cc(C)cc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205937989 813139962 /nfs/dbraw/zinc/13/99/62/813139962.db2.gz DJCLKKGWNIEWDE-CQSZACIVSA-N 2 2 264.438 3.030 20 0 CGADLP CSc1cc(C)cc(C[N@H+]2CCCC[C@@H]([NH3+])C2)c1 ZINC001205937989 813139967 /nfs/dbraw/zinc/13/99/67/813139967.db2.gz DJCLKKGWNIEWDE-CQSZACIVSA-N 2 2 264.438 3.030 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001206049981 813182186 /nfs/dbraw/zinc/18/21/86/813182186.db2.gz WHOUUVXHPSFHPW-CXAGYDPISA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001206049981 813182189 /nfs/dbraw/zinc/18/21/89/813182189.db2.gz WHOUUVXHPSFHPW-CXAGYDPISA-N 2 2 290.451 3.260 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc4ocnc4c3)cc2)C1 ZINC001242597580 823053726 /nfs/dbraw/zinc/05/37/26/823053726.db2.gz CQLCTZJWJYURQG-MRXNPFEDSA-N 2 2 293.370 3.028 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc4ocnc4c3)cc2)C1 ZINC001242597580 823053733 /nfs/dbraw/zinc/05/37/33/823053733.db2.gz CQLCTZJWJYURQG-MRXNPFEDSA-N 2 2 293.370 3.028 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C ZINC001206475559 813330431 /nfs/dbraw/zinc/33/04/31/813330431.db2.gz CXVOORDOLVJKLV-RBUKOAKNSA-N 2 2 286.463 3.452 20 0 CGADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1C ZINC001206475559 813330435 /nfs/dbraw/zinc/33/04/35/813330435.db2.gz CXVOORDOLVJKLV-RBUKOAKNSA-N 2 2 286.463 3.452 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001206548796 813348731 /nfs/dbraw/zinc/34/87/31/813348731.db2.gz JDRKFLVXPYFOJL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001206548796 813348741 /nfs/dbraw/zinc/34/87/41/813348741.db2.gz JDRKFLVXPYFOJL-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615076 813614993 /nfs/dbraw/zinc/61/49/93/813614993.db2.gz MZOCRGVFKJCIFJ-ROUUACIJSA-N 2 2 272.436 3.035 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615076 813614995 /nfs/dbraw/zinc/61/49/95/813614995.db2.gz MZOCRGVFKJCIFJ-ROUUACIJSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615076 813614999 /nfs/dbraw/zinc/61/49/99/813614999.db2.gz MZOCRGVFKJCIFJ-ROUUACIJSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615076 813615000 /nfs/dbraw/zinc/61/50/00/813615000.db2.gz MZOCRGVFKJCIFJ-ROUUACIJSA-N 2 2 272.436 3.035 20 0 CGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCn3c(c[nH+]c3C)C2)o1 ZINC001208162472 813719039 /nfs/dbraw/zinc/71/90/39/813719039.db2.gz RAGCUFSHQNBSNN-GFCCVEGCSA-N 2 2 273.380 3.102 20 0 CGADLP Cc1ccc([C@H](C)CC[N@H+]2CCn3c(c[nH+]c3C)C2)o1 ZINC001208162472 813719042 /nfs/dbraw/zinc/71/90/42/813719042.db2.gz RAGCUFSHQNBSNN-GFCCVEGCSA-N 2 2 273.380 3.102 20 0 CGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777742 /nfs/dbraw/zinc/77/77/42/813777742.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777746 /nfs/dbraw/zinc/77/77/46/813777746.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777750 /nfs/dbraw/zinc/77/77/50/813777750.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777756 /nfs/dbraw/zinc/77/77/56/813777756.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001209228893 813976047 /nfs/dbraw/zinc/97/60/47/813976047.db2.gz QPHJRLLZEGZQFD-CQSZACIVSA-N 2 2 288.416 3.147 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001209228893 813976054 /nfs/dbraw/zinc/97/60/54/813976054.db2.gz QPHJRLLZEGZQFD-CQSZACIVSA-N 2 2 288.416 3.147 20 0 CGADLP c1cn2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC001242691891 823101356 /nfs/dbraw/zinc/10/13/56/823101356.db2.gz PUSFDIHHVIYNSA-MRXNPFEDSA-N 2 2 267.376 3.366 20 0 CGADLP Cc1[nH+]cc(Nc2cc[nH+]cc2Oc2ccccc2)cc1N ZINC001210285899 814381298 /nfs/dbraw/zinc/38/12/98/814381298.db2.gz UJSLMOJBJQDMCC-UHFFFAOYSA-N 2 2 292.342 3.325 20 0 CGADLP Cc1[nH+]cc(Nc2cc[nH+]c(C3CCC3)c2)cc1N ZINC001210289168 814385571 /nfs/dbraw/zinc/38/55/71/814385571.db2.gz XLYLTDBFOGKTOG-UHFFFAOYSA-N 2 2 254.337 3.378 20 0 CGADLP COc1cc[nH+]cc1Nc1c[nH+]cn1Cc1ccccc1 ZINC001216549628 815855689 /nfs/dbraw/zinc/85/56/89/815855689.db2.gz NVSXTFJAAQHOCT-UHFFFAOYSA-N 2 2 280.331 3.079 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222191886 816372487 /nfs/dbraw/zinc/37/24/87/816372487.db2.gz QNKHKTPRYFHLTK-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@@]23CCC[NH2+]C3)cc1 ZINC001222191886 816372494 /nfs/dbraw/zinc/37/24/94/816372494.db2.gz QNKHKTPRYFHLTK-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP c1oc2ccccc2c1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243577 816384717 /nfs/dbraw/zinc/38/47/17/816384717.db2.gz MHRSUOMNKSMOJU-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1oc2ccccc2c1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222243577 816384724 /nfs/dbraw/zinc/38/47/24/816384724.db2.gz MHRSUOMNKSMOJU-KRWDZBQOSA-N 2 2 270.376 3.151 20 0 CGADLP c1cc2cc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222385828 816427669 /nfs/dbraw/zinc/42/76/69/816427669.db2.gz XVYNKBPANDNMGI-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP c1cc2cc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222385828 816427672 /nfs/dbraw/zinc/42/76/72/816427672.db2.gz XVYNKBPANDNMGI-GOSISDBHSA-N 2 2 283.419 3.276 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc(C)c1O ZINC001222389553 816428843 /nfs/dbraw/zinc/42/88/43/816428843.db2.gz BDWOKWWTHRUKLC-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc(C)c1O ZINC001222389553 816428849 /nfs/dbraw/zinc/42/88/49/816428849.db2.gz BDWOKWWTHRUKLC-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222420183 816439746 /nfs/dbraw/zinc/43/97/46/816439746.db2.gz BMYJCJXJTVGIBE-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1 ZINC001222420183 816439751 /nfs/dbraw/zinc/43/97/51/816439751.db2.gz BMYJCJXJTVGIBE-SFHVURJKSA-N 2 2 272.436 3.330 20 0 CGADLP Cc1ccc2c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c2c1 ZINC001222426538 816443009 /nfs/dbraw/zinc/44/30/09/816443009.db2.gz FKBUQCIBWFFRQS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c[nH]c2c1 ZINC001222426538 816443012 /nfs/dbraw/zinc/44/30/12/816443012.db2.gz FKBUQCIBWFFRQS-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP C[C@@H](C[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC001222559416 816467333 /nfs/dbraw/zinc/46/73/33/816467333.db2.gz WCNWOKNWQCVIKB-YSSFQJQWSA-N 2 2 292.426 3.361 20 0 CGADLP C[C@@H](C[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC001222559416 816467336 /nfs/dbraw/zinc/46/73/36/816467336.db2.gz WCNWOKNWQCVIKB-YSSFQJQWSA-N 2 2 292.426 3.361 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(-c3c[nH+]cn3C)cc2)c1 ZINC001242998709 823205508 /nfs/dbraw/zinc/20/55/08/823205508.db2.gz XEBANSLLJDELQW-UHFFFAOYSA-N 2 2 277.371 3.474 20 0 CGADLP Cc1[nH]c2ccc(O[C@H]3CC[C@H]([NH+](C)C)CC3)cc2[nH+]1 ZINC001228329038 817880354 /nfs/dbraw/zinc/88/03/54/817880354.db2.gz KXVZHZNNNBHOOQ-JOCQHMNTSA-N 2 2 273.380 3.123 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)s1 ZINC001231503209 818115974 /nfs/dbraw/zinc/11/59/74/818115974.db2.gz STRTXEYMWAOOOH-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP CCc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)s1 ZINC001231503209 818115977 /nfs/dbraw/zinc/11/59/77/818115977.db2.gz STRTXEYMWAOOOH-UHFFFAOYSA-N 2 2 278.465 3.369 20 0 CGADLP CC[N@H+](Cc1cnc(SC)cc1C)C1CC[NH+](C)CC1 ZINC001232347404 818323220 /nfs/dbraw/zinc/32/32/20/818323220.db2.gz XUPWRQVPKSNZML-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP CC[N@@H+](Cc1cnc(SC)cc1C)C1CC[NH+](C)CC1 ZINC001232347404 818323228 /nfs/dbraw/zinc/32/32/28/818323228.db2.gz XUPWRQVPKSNZML-UHFFFAOYSA-N 2 2 293.480 3.028 20 0 CGADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001233250382 818553966 /nfs/dbraw/zinc/55/39/66/818553966.db2.gz ILZOFHONEHEDAQ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001233250382 818553971 /nfs/dbraw/zinc/55/39/71/818553971.db2.gz ILZOFHONEHEDAQ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001233250382 818553978 /nfs/dbraw/zinc/55/39/78/818553978.db2.gz ILZOFHONEHEDAQ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001233250382 818553983 /nfs/dbraw/zinc/55/39/83/818553983.db2.gz ILZOFHONEHEDAQ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP COc1cc(C[N@H+](C)C(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234060135 818770583 /nfs/dbraw/zinc/77/05/83/818770583.db2.gz WWQIMPDDAXRQSH-UHFFFAOYSA-N 2 2 273.380 3.111 20 0 CGADLP COc1cc(C[N@@H+](C)C(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001234060135 818770590 /nfs/dbraw/zinc/77/05/90/818770590.db2.gz WWQIMPDDAXRQSH-UHFFFAOYSA-N 2 2 273.380 3.111 20 0 CGADLP Cc1[nH]c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(C)[nH+]1 ZINC001234644558 818900440 /nfs/dbraw/zinc/90/04/40/818900440.db2.gz FSQZKLJURCHXKK-ZDUSSCGKSA-N 2 2 265.376 3.131 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235002697 818975034 /nfs/dbraw/zinc/97/50/34/818975034.db2.gz XCHGLKHJPRTGRU-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235002697 818975038 /nfs/dbraw/zinc/97/50/38/818975038.db2.gz XCHGLKHJPRTGRU-MRXNPFEDSA-N 2 2 278.827 3.224 20 0 CGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235006103 818976248 /nfs/dbraw/zinc/97/62/48/818976248.db2.gz DRLQOQFAHMQIRI-UHFFFAOYSA-N 2 2 296.389 3.416 20 0 CGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235006103 818976257 /nfs/dbraw/zinc/97/62/57/818976257.db2.gz DRLQOQFAHMQIRI-UHFFFAOYSA-N 2 2 296.389 3.416 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235111769 819007321 /nfs/dbraw/zinc/00/73/21/819007321.db2.gz VADNLTSAFZWBBB-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@@]34CC[NH2+]C4)ccc2c1 ZINC001235111769 819007328 /nfs/dbraw/zinc/00/73/28/819007328.db2.gz VADNLTSAFZWBBB-IBGZPJMESA-N 2 2 296.414 3.176 20 0 CGADLP CC(C)c1cccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235114564 819008519 /nfs/dbraw/zinc/00/85/19/819008519.db2.gz MHTBGVLGTDIZCY-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP CC(C)c1cccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC001235114564 819008524 /nfs/dbraw/zinc/00/85/24/819008524.db2.gz MHTBGVLGTDIZCY-QGZVFWFLSA-N 2 2 258.409 3.138 20 0 CGADLP c1ccn(-c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235122437 819012144 /nfs/dbraw/zinc/01/21/44/819012144.db2.gz URKTYVKSOCTSBV-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP c1ccn(-c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)c1 ZINC001235122437 819012150 /nfs/dbraw/zinc/01/21/50/819012150.db2.gz URKTYVKSOCTSBV-LJQANCHMSA-N 2 2 295.430 3.195 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)o1 ZINC001235168268 819020919 /nfs/dbraw/zinc/02/09/19/819020919.db2.gz DLEGZKSGODVUQD-FUHWJXTLSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)cc2)o1 ZINC001235168268 819020928 /nfs/dbraw/zinc/02/09/28/819020928.db2.gz DLEGZKSGODVUQD-FUHWJXTLSA-N 2 2 282.387 3.178 20 0 CGADLP Clc1ccc2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)[nH]c2c1 ZINC001235713240 819148834 /nfs/dbraw/zinc/14/88/34/819148834.db2.gz LEOLHDSANBTRSM-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Clc1ccc2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)[nH]c2c1 ZINC001235713240 819148837 /nfs/dbraw/zinc/14/88/37/819148837.db2.gz LEOLHDSANBTRSM-UHFFFAOYSA-N 2 2 289.810 3.007 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H]3C[NH3+])ccc21 ZINC001235726311 819155065 /nfs/dbraw/zinc/15/50/65/819155065.db2.gz WIWOSXUVKAOCDE-HNNXBMFYSA-N 2 2 293.414 3.255 20 0 CGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@H]3C[NH3+])ccc21 ZINC001235726311 819155073 /nfs/dbraw/zinc/15/50/73/819155073.db2.gz WIWOSXUVKAOCDE-HNNXBMFYSA-N 2 2 293.414 3.255 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890651 819199202 /nfs/dbraw/zinc/19/92/02/819199202.db2.gz FRTXENKBXXMSKJ-CXAGYDPISA-N 2 2 258.409 3.266 20 0 CGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235890651 819199206 /nfs/dbraw/zinc/19/92/06/819199206.db2.gz FRTXENKBXXMSKJ-CXAGYDPISA-N 2 2 258.409 3.266 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909384 819219529 /nfs/dbraw/zinc/21/95/29/819219529.db2.gz AFIQVAPGVPSUAT-VUBDOFJKSA-N 2 2 256.409 3.274 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909384 819219536 /nfs/dbraw/zinc/21/95/36/819219536.db2.gz AFIQVAPGVPSUAT-VUBDOFJKSA-N 2 2 256.409 3.274 20 0 CGADLP CCCCc1ccc(C[N@H+](CC[NH3+])C(C)C)s1 ZINC001235947304 819236015 /nfs/dbraw/zinc/23/60/15/819236015.db2.gz JCWGFSWAYCCGER-UHFFFAOYSA-N 2 2 254.443 3.260 20 0 CGADLP CCCCc1ccc(C[N@@H+](CC[NH3+])C(C)C)s1 ZINC001235947304 819236020 /nfs/dbraw/zinc/23/60/20/819236020.db2.gz JCWGFSWAYCCGER-UHFFFAOYSA-N 2 2 254.443 3.260 20 0 CGADLP CCCCCOc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC001235948617 819237068 /nfs/dbraw/zinc/23/70/68/819237068.db2.gz RFIZCZMBLLYUDP-UHFFFAOYSA-N 2 2 278.440 3.425 20 0 CGADLP CCCCCOc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC001235948617 819237063 /nfs/dbraw/zinc/23/70/63/819237063.db2.gz RFIZCZMBLLYUDP-UHFFFAOYSA-N 2 2 278.440 3.425 20 0 CGADLP CCCCC[NH+](CCCCC)CC1=CS[C@@H]([NH3+])N1 ZINC001235962087 819251071 /nfs/dbraw/zinc/25/10/71/819251071.db2.gz LKDIWMFGVJVQHV-AWEZNQCLSA-N 2 2 271.474 3.089 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985502 819260692 /nfs/dbraw/zinc/26/06/92/819260692.db2.gz CDYLJLPFIQTVTR-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1cccs1)C2 ZINC001235985502 819260699 /nfs/dbraw/zinc/26/06/99/819260699.db2.gz CDYLJLPFIQTVTR-WMLDXEAASA-N 2 2 284.428 3.338 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994321 819264249 /nfs/dbraw/zinc/26/42/49/819264249.db2.gz OBHPARPTQOPBHS-FUHWJXTLSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994321 819264254 /nfs/dbraw/zinc/26/42/54/819264254.db2.gz OBHPARPTQOPBHS-FUHWJXTLSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994316 819264450 /nfs/dbraw/zinc/26/44/50/819264450.db2.gz OBHPARPTQOPBHS-AEFFLSMTSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc(C)c1OC(C)C ZINC001235994316 819264456 /nfs/dbraw/zinc/26/44/56/819264456.db2.gz OBHPARPTQOPBHS-AEFFLSMTSA-N 2 2 288.435 3.014 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235998309 819267936 /nfs/dbraw/zinc/26/79/36/819267936.db2.gz YGYZKBFWQPDMMY-SWLSCSKDSA-N 2 2 264.438 3.014 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235998309 819267941 /nfs/dbraw/zinc/26/79/41/819267941.db2.gz YGYZKBFWQPDMMY-SWLSCSKDSA-N 2 2 264.438 3.014 20 0 CGADLP CC[N@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008716 819272710 /nfs/dbraw/zinc/27/27/10/819272710.db2.gz URXCJTQWLCOMPG-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP CC[N@@H+](Cc1ccc(-c2cccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008716 819272714 /nfs/dbraw/zinc/27/27/14/819272714.db2.gz URXCJTQWLCOMPG-LJQANCHMSA-N 2 2 295.430 3.323 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)o1 ZINC001236047176 819284805 /nfs/dbraw/zinc/28/48/05/819284805.db2.gz LDODFLRLNHMMJL-GUYCJALGSA-N 2 2 284.403 3.424 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H](C)C[C@H]([NH3+])C3)cc2)o1 ZINC001236047176 819284810 /nfs/dbraw/zinc/28/48/10/819284810.db2.gz LDODFLRLNHMMJL-GUYCJALGSA-N 2 2 284.403 3.424 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059459 819292140 /nfs/dbraw/zinc/29/21/40/819292140.db2.gz IKLCGFMLUJTBQW-YOEHRIQHSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236059459 819292148 /nfs/dbraw/zinc/29/21/48/819292148.db2.gz IKLCGFMLUJTBQW-YOEHRIQHSA-N 2 2 266.388 3.024 20 0 CGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC001236092918 819310153 /nfs/dbraw/zinc/31/01/53/819310153.db2.gz BASGTIWXCCAEFG-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC001236092918 819310160 /nfs/dbraw/zinc/31/01/60/819310160.db2.gz BASGTIWXCCAEFG-KUHUBIRLSA-N 2 2 296.414 3.141 20 0 CGADLP C[N@@H+](Cc1cccc2c(F)cccc12)C[C@@H]1CCC[NH2+]1 ZINC001236125325 819332786 /nfs/dbraw/zinc/33/27/86/819332786.db2.gz WGQOEINREMDOJC-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[N@H+](Cc1cccc2c(F)cccc12)C[C@@H]1CCC[NH2+]1 ZINC001236125325 819332791 /nfs/dbraw/zinc/33/27/91/819332791.db2.gz WGQOEINREMDOJC-AWEZNQCLSA-N 2 2 272.367 3.163 20 0 CGADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC001236160839 819349807 /nfs/dbraw/zinc/34/98/07/819349807.db2.gz JRWDCJWARZKBHR-FRQCXROJSA-N 2 2 298.430 3.474 20 0 CGADLP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@H+](C)C[C@H](C)[NH3+] ZINC001236160839 819349810 /nfs/dbraw/zinc/34/98/10/819349810.db2.gz JRWDCJWARZKBHR-FRQCXROJSA-N 2 2 298.430 3.474 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236172658 819354829 /nfs/dbraw/zinc/35/48/29/819354829.db2.gz JDTWWEBTAFTERB-MRXNPFEDSA-N 2 2 270.351 3.026 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001236172658 819354837 /nfs/dbraw/zinc/35/48/37/819354837.db2.gz JDTWWEBTAFTERB-MRXNPFEDSA-N 2 2 270.351 3.026 20 0 CGADLP CC(C)COc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236205366 819367821 /nfs/dbraw/zinc/36/78/21/819367821.db2.gz DTRGCVKMJRGMGG-SFHVURJKSA-N 2 2 290.451 3.295 20 0 CGADLP CC(C)COc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236205366 819367826 /nfs/dbraw/zinc/36/78/26/819367826.db2.gz DTRGCVKMJRGMGG-SFHVURJKSA-N 2 2 290.451 3.295 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2n1 ZINC001236206932 819368821 /nfs/dbraw/zinc/36/88/21/819368821.db2.gz LUAIMFAJMMNVQL-SFHVURJKSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)ccc2n1 ZINC001236206932 819368827 /nfs/dbraw/zinc/36/88/27/819368827.db2.gz LUAIMFAJMMNVQL-SFHVURJKSA-N 2 2 283.419 3.117 20 0 CGADLP C[N@H+](Cc1ccc(F)c2ccoc21)[C@]1(C)CCC[NH2+]C1 ZINC001236208760 819370773 /nfs/dbraw/zinc/37/07/73/819370773.db2.gz XFSCJAGLRJRMAD-MRXNPFEDSA-N 2 2 276.355 3.146 20 0 CGADLP C[N@@H+](Cc1ccc(F)c2ccoc21)[C@]1(C)CCC[NH2+]C1 ZINC001236208760 819370781 /nfs/dbraw/zinc/37/07/81/819370781.db2.gz XFSCJAGLRJRMAD-MRXNPFEDSA-N 2 2 276.355 3.146 20 0 CGADLP C[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210494 819372737 /nfs/dbraw/zinc/37/27/37/819372737.db2.gz CXLDZSNNYUHNNO-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236210494 819372744 /nfs/dbraw/zinc/37/27/44/819372744.db2.gz CXLDZSNNYUHNNO-ZIAGYGMSSA-N 2 2 270.779 3.181 20 0 CGADLP COc1cc(C)c(C)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213605 819376383 /nfs/dbraw/zinc/37/63/83/819376383.db2.gz CHMUVLUAHZYCGO-HOTGVXAUSA-N 2 2 276.424 3.014 20 0 CGADLP COc1cc(C)c(C)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213605 819376389 /nfs/dbraw/zinc/37/63/89/819376389.db2.gz CHMUVLUAHZYCGO-HOTGVXAUSA-N 2 2 276.424 3.014 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236216899 819381995 /nfs/dbraw/zinc/38/19/95/819381995.db2.gz MBRRUAPMZZRTFI-SJORKVTESA-N 2 2 298.434 3.087 20 0 CGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236216899 819381997 /nfs/dbraw/zinc/38/19/97/819381997.db2.gz MBRRUAPMZZRTFI-SJORKVTESA-N 2 2 298.434 3.087 20 0 CGADLP CCOc1cc(C)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217294 819382870 /nfs/dbraw/zinc/38/28/70/819382870.db2.gz OZCOEGQFGPBPOO-CVEARBPZSA-N 2 2 276.424 3.095 20 0 CGADLP CCOc1cc(C)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217294 819382875 /nfs/dbraw/zinc/38/28/75/819382875.db2.gz OZCOEGQFGPBPOO-CVEARBPZSA-N 2 2 276.424 3.095 20 0 CGADLP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236219092 819386084 /nfs/dbraw/zinc/38/60/84/819386084.db2.gz ZDLHBABIQCLSGF-KRWDZBQOSA-N 2 2 297.446 3.378 20 0 CGADLP CCn1ccc2c1cccc2C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236219092 819386090 /nfs/dbraw/zinc/38/60/90/819386090.db2.gz ZDLHBABIQCLSGF-KRWDZBQOSA-N 2 2 297.446 3.378 20 0 CGADLP Cc1cc(C)cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236236664 819396822 /nfs/dbraw/zinc/39/68/22/819396822.db2.gz KSZDLNZMHFHXBK-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cc(C)cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236236664 819396831 /nfs/dbraw/zinc/39/68/31/819396831.db2.gz KSZDLNZMHFHXBK-QGZVFWFLSA-N 2 2 258.409 3.020 20 0 CGADLP Cc1cc(C)c(Cl)c(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236239324 819399784 /nfs/dbraw/zinc/39/97/84/819399784.db2.gz DGSKZZPIZQYFMT-UHFFFAOYSA-N 2 2 266.816 3.142 20 0 CGADLP CCC[N@H+](Cc1c(C)cc(F)cc1C)[C@H]1CC[NH2+]C1 ZINC001236322900 819424566 /nfs/dbraw/zinc/42/45/66/819424566.db2.gz ARAQCBWZBGGACQ-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP CCC[N@@H+](Cc1c(C)cc(F)cc1C)[C@H]1CC[NH2+]C1 ZINC001236322900 819424567 /nfs/dbraw/zinc/42/45/67/819424567.db2.gz ARAQCBWZBGGACQ-HNNXBMFYSA-N 2 2 264.388 3.016 20 0 CGADLP COCC[N@H+](CC[C@@H](C)CCC=C(C)C)[C@H]1CC[NH2+]C1 ZINC001236336343 819427661 /nfs/dbraw/zinc/42/76/61/819427661.db2.gz XFWRYQBSEGAMSW-IRXDYDNUSA-N 2 2 282.472 3.069 20 0 CGADLP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)[C@H]1CC[NH2+]C1 ZINC001236336343 819427666 /nfs/dbraw/zinc/42/76/66/819427666.db2.gz XFWRYQBSEGAMSW-IRXDYDNUSA-N 2 2 282.472 3.069 20 0 CGADLP CC(C)(C)C[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396652 819449737 /nfs/dbraw/zinc/44/97/37/819449737.db2.gz YNZDJUXHKUFEAS-MRXNPFEDSA-N 2 2 278.415 3.426 20 0 CGADLP CC(C)(C)C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236396652 819449740 /nfs/dbraw/zinc/44/97/40/819449740.db2.gz YNZDJUXHKUFEAS-MRXNPFEDSA-N 2 2 278.415 3.426 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236419252 819465583 /nfs/dbraw/zinc/46/55/83/819465583.db2.gz LDYHNAJIBZGRPY-MAUKXSAKSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236419252 819465586 /nfs/dbraw/zinc/46/55/86/819465586.db2.gz LDYHNAJIBZGRPY-MAUKXSAKSA-N 2 2 290.451 3.402 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001236432757 819476722 /nfs/dbraw/zinc/47/67/22/819476722.db2.gz BRRZUTIIHUQHNZ-SFHVURJKSA-N 2 2 284.378 3.226 20 0 CGADLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2cccc(-c3ccccc3)c2)C1 ZINC001236432757 819476723 /nfs/dbraw/zinc/47/67/23/819476723.db2.gz BRRZUTIIHUQHNZ-SFHVURJKSA-N 2 2 284.378 3.226 20 0 CGADLP CCOc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468005 819488616 /nfs/dbraw/zinc/48/86/16/819488616.db2.gz CQMKBLSIEZPDMP-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236468005 819488617 /nfs/dbraw/zinc/48/86/17/819488617.db2.gz CQMKBLSIEZPDMP-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCOc1ccccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473057 819492659 /nfs/dbraw/zinc/49/26/59/819492659.db2.gz GHAAMXNVPNYDGH-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CCOc1ccccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473057 819492664 /nfs/dbraw/zinc/49/26/64/819492664.db2.gz GHAAMXNVPNYDGH-QGZVFWFLSA-N 2 2 290.451 3.295 20 0 CGADLP CSc1cc(C)cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530776 819522270 /nfs/dbraw/zinc/52/22/70/819522270.db2.gz XEZNIZNMLOBGPM-OAHLLOKOSA-N 2 2 278.465 3.289 20 0 CGADLP CSc1cc(C)cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530776 819522275 /nfs/dbraw/zinc/52/22/75/819522275.db2.gz XEZNIZNMLOBGPM-OAHLLOKOSA-N 2 2 278.465 3.289 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC001236898996 819633438 /nfs/dbraw/zinc/63/34/38/819633438.db2.gz FJUWATBOEHRGMX-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC001236898996 819633441 /nfs/dbraw/zinc/63/34/41/819633441.db2.gz FJUWATBOEHRGMX-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2ccoc21 ZINC001236903277 819634689 /nfs/dbraw/zinc/63/46/89/819634689.db2.gz ZGPGQNRSXMEVGK-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c2ccoc21 ZINC001236903277 819634692 /nfs/dbraw/zinc/63/46/92/819634692.db2.gz ZGPGQNRSXMEVGK-UHFFFAOYSA-N 2 2 287.338 3.291 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(F)c3ccoc32)CC1 ZINC001236902776 819634969 /nfs/dbraw/zinc/63/49/69/819634969.db2.gz WLFNJRNTLXJNEE-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(F)c3ccoc32)CC1 ZINC001236902776 819634973 /nfs/dbraw/zinc/63/49/73/819634973.db2.gz WLFNJRNTLXJNEE-UHFFFAOYSA-N 2 2 290.382 3.488 20 0 CGADLP COc1cc(C)cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158501 819684506 /nfs/dbraw/zinc/68/45/06/819684506.db2.gz YVYKQPUPGKIPPG-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C)cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158501 819684510 /nfs/dbraw/zinc/68/45/10/819684510.db2.gz YVYKQPUPGKIPPG-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(F)c2)CC1 ZINC001237285869 819718158 /nfs/dbraw/zinc/71/81/58/819718158.db2.gz DLDRHIVWQSYURW-UHFFFAOYSA-N 2 2 294.414 3.228 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(F)c2)CC1 ZINC001237285869 819718161 /nfs/dbraw/zinc/71/81/61/819718161.db2.gz DLDRHIVWQSYURW-UHFFFAOYSA-N 2 2 294.414 3.228 20 0 CGADLP Fc1ccc2occc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418351 819748180 /nfs/dbraw/zinc/74/81/80/819748180.db2.gz YEGCCIRDUQISJZ-LRDDRELGSA-N 2 2 288.366 3.146 20 0 CGADLP Fc1ccc2occc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418351 819748186 /nfs/dbraw/zinc/74/81/86/819748186.db2.gz YEGCCIRDUQISJZ-LRDDRELGSA-N 2 2 288.366 3.146 20 0 CGADLP CCc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739164 819831715 /nfs/dbraw/zinc/83/17/15/819831715.db2.gz QRCWAQWRLGMLRV-UHFFFAOYSA-N 2 2 280.843 3.428 20 0 CGADLP CCc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC001237739164 819831724 /nfs/dbraw/zinc/83/17/24/819831724.db2.gz QRCWAQWRLGMLRV-UHFFFAOYSA-N 2 2 280.843 3.428 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCC34COC4)cc21 ZINC001237884241 819868373 /nfs/dbraw/zinc/86/83/73/819868373.db2.gz ZWXFCOKFQUFSFT-UHFFFAOYSA-N 2 2 298.430 3.053 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCC34COC4)cc21 ZINC001237884241 819868389 /nfs/dbraw/zinc/86/83/89/819868389.db2.gz ZWXFCOKFQUFSFT-UHFFFAOYSA-N 2 2 298.430 3.053 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@H](F)C3)cc21 ZINC001237881904 819869093 /nfs/dbraw/zinc/86/90/93/819869093.db2.gz ZUTZJYVMRQFLEZ-OAHLLOKOSA-N 2 2 274.383 3.232 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](F)C3)cc21 ZINC001237881904 819869104 /nfs/dbraw/zinc/86/91/04/819869104.db2.gz ZUTZJYVMRQFLEZ-OAHLLOKOSA-N 2 2 274.383 3.232 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C3CC3)C3COC3)cc21 ZINC001237886151 819870616 /nfs/dbraw/zinc/87/06/16/819870616.db2.gz LTAUXIRMOHVNFF-UHFFFAOYSA-N 2 2 298.430 3.051 20 0 CGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C3CC3)C3COC3)cc21 ZINC001237886151 819870625 /nfs/dbraw/zinc/87/06/25/819870625.db2.gz LTAUXIRMOHVNFF-UHFFFAOYSA-N 2 2 298.430 3.051 20 0 CGADLP C[C@]1(F)CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104444 819932850 /nfs/dbraw/zinc/93/28/50/819932850.db2.gz VMHNDNSQOOBQHE-HNNXBMFYSA-N 2 2 261.344 3.048 20 0 CGADLP C[C@]1(F)CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104444 819932853 /nfs/dbraw/zinc/93/28/53/819932853.db2.gz VMHNDNSQOOBQHE-HNNXBMFYSA-N 2 2 261.344 3.048 20 0 CGADLP C[N@H+](C/C=C/c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238120541 819939389 /nfs/dbraw/zinc/93/93/89/819939389.db2.gz XIKLSIKYJYWOQX-RMKNXTFCSA-N 2 2 277.371 3.480 20 0 CGADLP C[N@@H+](C/C=C/c1ccccc1)Cc1cccc2c[nH+]cn21 ZINC001238120541 819939393 /nfs/dbraw/zinc/93/93/93/819939393.db2.gz XIKLSIKYJYWOQX-RMKNXTFCSA-N 2 2 277.371 3.480 20 0 CGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C4CC4)nc3)c2)C1 ZINC001238856213 820136354 /nfs/dbraw/zinc/13/63/54/820136354.db2.gz KLQZIWBECPDZLR-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C4CC4)nc3)c2)C1 ZINC001238856213 820136357 /nfs/dbraw/zinc/13/63/57/820136357.db2.gz KLQZIWBECPDZLR-GOSISDBHSA-N 2 2 293.414 3.159 20 0 CGADLP CC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239631530 820476234 /nfs/dbraw/zinc/47/62/34/820476234.db2.gz GOSWAOQYIBERPB-LJQANCHMSA-N 2 2 294.398 3.089 20 0 CGADLP CC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239631530 820476241 /nfs/dbraw/zinc/47/62/41/820476241.db2.gz GOSWAOQYIBERPB-LJQANCHMSA-N 2 2 294.398 3.089 20 0 CGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 ZINC001239696283 820529133 /nfs/dbraw/zinc/52/91/33/820529133.db2.gz NDOVWFDAGQOZCT-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1 ZINC001239696283 820529141 /nfs/dbraw/zinc/52/91/41/820529141.db2.gz NDOVWFDAGQOZCT-SFHVURJKSA-N 2 2 291.398 3.368 20 0 CGADLP Cc1cc(F)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001239741572 820564791 /nfs/dbraw/zinc/56/47/91/820564791.db2.gz ICVREZVOBHBKMP-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001239741572 820564799 /nfs/dbraw/zinc/56/47/99/820564799.db2.gz ICVREZVOBHBKMP-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP CC[NH+](CC)c1ccc(C)c(-c2cncc(C[NH3+])c2)c1 ZINC001239809751 820624823 /nfs/dbraw/zinc/62/48/23/820624823.db2.gz VFHWIGVNDWXOFN-UHFFFAOYSA-N 2 2 269.392 3.362 20 0 CGADLP COCc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239936675 820716590 /nfs/dbraw/zinc/71/65/90/820716590.db2.gz AVURWDTYKRLLPL-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP COCc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001239936675 820716599 /nfs/dbraw/zinc/71/65/99/820716599.db2.gz AVURWDTYKRLLPL-IBGZPJMESA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001239954002 820735321 /nfs/dbraw/zinc/73/53/21/820735321.db2.gz LYLVSFSUDWYEDY-QGZVFWFLSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001239954002 820735323 /nfs/dbraw/zinc/73/53/23/820735323.db2.gz LYLVSFSUDWYEDY-QGZVFWFLSA-N 2 2 296.414 3.033 20 0 CGADLP [NH3+]Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001241915044 822214853 /nfs/dbraw/zinc/21/48/53/822214853.db2.gz MTOYRKYUCSNSSY-UHFFFAOYSA-N 2 2 263.344 3.057 20 0 CGADLP [NH3+]Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1 ZINC001241915898 822215255 /nfs/dbraw/zinc/21/52/55/822215255.db2.gz CUUJUZDWOGAEGW-UHFFFAOYSA-N 2 2 267.307 3.137 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)[N@H+](C)C1CC1 ZINC001335442435 936146433 /nfs/dbraw/zinc/14/64/33/936146433.db2.gz YVVFXORRDFEIAE-DCBWTQNWSA-N 2 2 294.389 3.283 20 0 CGADLP C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2F)C1)[N@@H+](C)C1CC1 ZINC001335442435 936146436 /nfs/dbraw/zinc/14/64/36/936146436.db2.gz YVVFXORRDFEIAE-DCBWTQNWSA-N 2 2 294.389 3.283 20 0 CGADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC001345097255 936801505 /nfs/dbraw/zinc/80/15/05/936801505.db2.gz ITZQQAXCCGMKNQ-CVEARBPZSA-N 2 2 283.419 3.133 20 0 CGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC001461037984 937560693 /nfs/dbraw/zinc/56/06/93/937560693.db2.gz DNPKLMSADDFYMM-CVEARBPZSA-N 2 2 271.408 3.130 20 0 CGADLP C[NH+](C)CCc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC001461313799 937575634 /nfs/dbraw/zinc/57/56/34/937575634.db2.gz OIBLGDMHTSGSRD-UHFFFAOYSA-N 2 2 294.402 3.051 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001461708226 937593208 /nfs/dbraw/zinc/59/32/08/937593208.db2.gz PSATZZGAXVWFRI-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP CC[C@H](C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001461708226 937593210 /nfs/dbraw/zinc/59/32/10/937593210.db2.gz PSATZZGAXVWFRI-MAUKXSAKSA-N 2 2 287.451 3.429 20 0 CGADLP CC[NH+](CC)C[C@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082885 932674676 /nfs/dbraw/zinc/67/46/76/932674676.db2.gz VWJKEYLKCIBVBK-AWEZNQCLSA-N 2 2 287.407 3.196 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308120482 933053172 /nfs/dbraw/zinc/05/31/72/933053172.db2.gz KPUTWPLDFWRLON-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308120482 933053176 /nfs/dbraw/zinc/05/31/76/933053176.db2.gz KPUTWPLDFWRLON-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308120482 933053179 /nfs/dbraw/zinc/05/31/79/933053179.db2.gz KPUTWPLDFWRLON-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001308120482 933053182 /nfs/dbraw/zinc/05/31/82/933053182.db2.gz KPUTWPLDFWRLON-ZBFHGGJFSA-N 2 2 278.827 3.032 20 0 CGADLP Fc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308184979 933068363 /nfs/dbraw/zinc/06/83/63/933068363.db2.gz HIIVJTFDUBMMHT-UHFFFAOYSA-N 2 2 287.363 3.363 20 0 CGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001462648229 937656822 /nfs/dbraw/zinc/65/68/22/937656822.db2.gz QRUYCOOZNYYBOE-BZSNNMDCSA-N 2 2 274.452 3.356 20 0 CGADLP C[NH+](C)CC1([NH2+]C[C@@H]2CCCC(C)(C)C2)CCC1 ZINC001308386966 933104817 /nfs/dbraw/zinc/10/48/17/933104817.db2.gz WPMLPSOKHPCPPM-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C ZINC001308395133 933105305 /nfs/dbraw/zinc/10/53/05/933105305.db2.gz KBFMKGYNVDEZAY-AESZEHBQSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C ZINC001308395133 933105307 /nfs/dbraw/zinc/10/53/07/933105307.db2.gz KBFMKGYNVDEZAY-AESZEHBQSA-N 2 2 264.457 3.418 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001308482010 933117033 /nfs/dbraw/zinc/11/70/33/933117033.db2.gz HAASMHIRHRPGRR-JZLODUJNSA-N 2 2 272.436 3.309 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001308482010 933117035 /nfs/dbraw/zinc/11/70/35/933117035.db2.gz HAASMHIRHRPGRR-JZLODUJNSA-N 2 2 272.436 3.309 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC001308859132 933191932 /nfs/dbraw/zinc/19/19/32/933191932.db2.gz YJIFYMPMNSUBCP-HRCADAONSA-N 2 2 296.499 3.433 20 0 CGADLP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC001308859132 933191937 /nfs/dbraw/zinc/19/19/37/933191937.db2.gz YJIFYMPMNSUBCP-HRCADAONSA-N 2 2 296.499 3.433 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1F ZINC001308982835 933221858 /nfs/dbraw/zinc/22/18/58/933221858.db2.gz HRMWKSPVUWXLCJ-UHFFFAOYSA-N 2 2 287.382 3.247 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001319065662 933816685 /nfs/dbraw/zinc/81/66/85/933816685.db2.gz KGEDGMGELJHAPQ-TZMCWYRMSA-N 2 2 298.390 3.341 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001321046343 934142395 /nfs/dbraw/zinc/14/23/95/934142395.db2.gz IELMUUHCARSQMH-YJBOKZPZSA-N 2 2 295.430 3.362 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001321046343 934142397 /nfs/dbraw/zinc/14/23/97/934142397.db2.gz IELMUUHCARSQMH-YJBOKZPZSA-N 2 2 295.430 3.362 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC001326158332 934954220 /nfs/dbraw/zinc/95/42/20/934954220.db2.gz ATYPCISRBNPRJY-JSGCOSHPSA-N 2 2 298.390 3.341 20 0 CGADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724810 937819184 /nfs/dbraw/zinc/81/91/84/937819184.db2.gz GXGMGTRTGUIGQD-OAUYIBNBSA-N 2 2 290.838 3.353 20 0 CGADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724810 937819186 /nfs/dbraw/zinc/81/91/86/937819186.db2.gz GXGMGTRTGUIGQD-OAUYIBNBSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724810 937819188 /nfs/dbraw/zinc/81/91/88/937819188.db2.gz GXGMGTRTGUIGQD-OAUYIBNBSA-N 2 2 290.838 3.353 20 0 CGADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)CC[C@@H]21 ZINC001473724810 937819190 /nfs/dbraw/zinc/81/91/90/937819190.db2.gz GXGMGTRTGUIGQD-OAUYIBNBSA-N 2 2 290.838 3.353 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001329176395 935193946 /nfs/dbraw/zinc/19/39/46/935193946.db2.gz GSCONUXFCLXOCC-LBPRGKRZSA-N 2 2 293.282 3.377 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001329747710 935243431 /nfs/dbraw/zinc/24/34/31/935243431.db2.gz AXTQTAYHAJSSFJ-WMLDXEAASA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329747710 935243434 /nfs/dbraw/zinc/24/34/34/935243434.db2.gz AXTQTAYHAJSSFJ-WMLDXEAASA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908497 935420183 /nfs/dbraw/zinc/42/01/83/935420183.db2.gz VYKZJSLDQFUKPT-PBHICJAKSA-N 2 2 281.403 3.074 20 0 CGADLP Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]c2ccccc12 ZINC001331908497 935420185 /nfs/dbraw/zinc/42/01/85/935420185.db2.gz VYKZJSLDQFUKPT-PBHICJAKSA-N 2 2 281.403 3.074 20 0 CGADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001337806018 936290199 /nfs/dbraw/zinc/29/01/99/936290199.db2.gz OSEOLYVXYGVKNC-MZORAGNBSA-N 2 2 276.811 3.200 20 0 CGADLP C[C@@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)CC1CCCCC1 ZINC001473928326 937830869 /nfs/dbraw/zinc/83/08/69/937830869.db2.gz XTTKFMCAFUHXET-HUUCEWRRSA-N 2 2 263.429 3.468 20 0 CGADLP Cc1cc(CNc2cccc(C[NH+](C)C)c2)cc(C)[nH+]1 ZINC001473946716 937831791 /nfs/dbraw/zinc/83/17/91/937831791.db2.gz ZDUPJJALDZSVNL-UHFFFAOYSA-N 2 2 269.392 3.372 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]Cc1cccc2ccccc21 ZINC001474031099 937836922 /nfs/dbraw/zinc/83/69/22/937836922.db2.gz SOUDNRGZTXIQSO-OAHLLOKOSA-N 2 2 268.404 3.414 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]Cc1cccc2ccccc21 ZINC001474031099 937836924 /nfs/dbraw/zinc/83/69/24/937836924.db2.gz SOUDNRGZTXIQSO-OAHLLOKOSA-N 2 2 268.404 3.414 20 0 CGADLP CC(C)OCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474084137 937839281 /nfs/dbraw/zinc/83/92/81/937839281.db2.gz DDSLFYBDKQEHII-UHFFFAOYSA-N 2 2 293.436 3.229 20 0 CGADLP Oc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001474247106 937845919 /nfs/dbraw/zinc/84/59/19/937845919.db2.gz QTBVNYFSHIUDCI-SFHVURJKSA-N 2 2 293.370 3.120 20 0 CGADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc(C)n1 ZINC001474712152 937876343 /nfs/dbraw/zinc/87/63/43/937876343.db2.gz OLGSPKHLBDJLGK-UHFFFAOYSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)o1 ZINC001474755743 937879337 /nfs/dbraw/zinc/87/93/37/937879337.db2.gz VCIJPLQSWOFZAY-UHFFFAOYSA-N 2 2 273.380 3.010 20 0 CGADLP Cc1scc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1C ZINC001550058018 938162397 /nfs/dbraw/zinc/16/23/97/938162397.db2.gz GIYMWVQPYCKANP-CQSZACIVSA-N 2 2 289.448 3.478 20 0 CGADLP Cc1scc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1C ZINC001550058018 938162398 /nfs/dbraw/zinc/16/23/98/938162398.db2.gz GIYMWVQPYCKANP-CQSZACIVSA-N 2 2 289.448 3.478 20 0 CGADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1C ZINC001550531307 938166869 /nfs/dbraw/zinc/16/68/69/938166869.db2.gz NUKXGURYICIYKS-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP COc1cccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C)C2)c1C ZINC001550531307 938166870 /nfs/dbraw/zinc/16/68/70/938166870.db2.gz NUKXGURYICIYKS-MRXNPFEDSA-N 2 2 299.418 3.117 20 0 CGADLP Cc1ccc2[nH]c(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)[nH+]c2c1 ZINC001551225611 938178172 /nfs/dbraw/zinc/17/81/72/938178172.db2.gz MKZJPBDJMQVMSB-KKUMJFAQSA-N 2 2 298.434 3.038 20 0 CGADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551377182 938180337 /nfs/dbraw/zinc/18/03/37/938180337.db2.gz FPXTZKLYSYZFJH-FXUDXRNXSA-N 2 2 258.409 3.025 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1cccs1 ZINC001551378381 938180578 /nfs/dbraw/zinc/18/05/78/938180578.db2.gz PHHMPWSMULZRBL-XEGUGMAKSA-N 2 2 258.390 3.023 20 0 CGADLP CC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccsc1 ZINC001551379677 938180786 /nfs/dbraw/zinc/18/07/86/938180786.db2.gz ZRGSVALAWFBHAB-JYJNAYRXSA-N 2 2 272.417 3.414 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(F)c1 ZINC001551379276 938180820 /nfs/dbraw/zinc/18/08/20/938180820.db2.gz WEKNCBJRXWVGCF-MZPVMMEZSA-N 2 2 270.351 3.101 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC001560530948 938261993 /nfs/dbraw/zinc/26/19/93/938261993.db2.gz RIYQEPUFBKQFTB-MRXNPFEDSA-N 2 2 272.436 3.138 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC001560530948 938261995 /nfs/dbraw/zinc/26/19/95/938261995.db2.gz RIYQEPUFBKQFTB-MRXNPFEDSA-N 2 2 272.436 3.138 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001560790098 938275674 /nfs/dbraw/zinc/27/56/74/938275674.db2.gz SSWIFAZAHFIAGM-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001560790098 938275675 /nfs/dbraw/zinc/27/56/75/938275675.db2.gz SSWIFAZAHFIAGM-CQSZACIVSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC001560954328 938285924 /nfs/dbraw/zinc/28/59/24/938285924.db2.gz MYKQXODKDVRASX-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC001560954328 938285925 /nfs/dbraw/zinc/28/59/25/938285925.db2.gz MYKQXODKDVRASX-OKZBNKHCSA-N 2 2 272.436 3.397 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001560962082 938286729 /nfs/dbraw/zinc/28/67/29/938286729.db2.gz ZFYLNENBIGUBSY-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001560962082 938286731 /nfs/dbraw/zinc/28/67/31/938286731.db2.gz ZFYLNENBIGUBSY-YESZJQIVSA-N 2 2 264.457 3.418 20 0 CGADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC001578241620 960481379 /nfs/dbraw/zinc/48/13/79/960481379.db2.gz FGDHKITVDSAOCJ-KGLIPLIRSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)[C@H]1CCCC[NH2+]1 ZINC001576234356 962437840 /nfs/dbraw/zinc/43/78/40/962437840.db2.gz WENVSYTVEHARID-JJRVBVJISA-N 2 2 288.435 3.193 20 0 CGADLP CC[N@H+](CC[NH3+])C/C(C)=C/c1ccccc1C(F)(F)F ZINC001577720938 962563217 /nfs/dbraw/zinc/56/32/17/962563217.db2.gz FCXVLJSXYHRPEW-ZRDIBKRKSA-N 2 2 286.341 3.389 20 0 CGADLP CC[N@@H+](CC[NH3+])C/C(C)=C/c1ccccc1C(F)(F)F ZINC001577720938 962563230 /nfs/dbraw/zinc/56/32/30/962563230.db2.gz FCXVLJSXYHRPEW-ZRDIBKRKSA-N 2 2 286.341 3.389 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2s1 ZINC000124332748 187132417 /nfs/dbraw/zinc/13/24/17/187132417.db2.gz NALVEJPMELPWCW-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccccc2s1 ZINC000124332748 187132418 /nfs/dbraw/zinc/13/24/18/187132418.db2.gz NALVEJPMELPWCW-UHFFFAOYSA-N 2 2 286.404 3.015 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337418154 214070605 /nfs/dbraw/zinc/07/06/05/214070605.db2.gz PVQGNTRGLDGNGD-BPQIPLTHSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337418154 214070609 /nfs/dbraw/zinc/07/06/09/214070609.db2.gz PVQGNTRGLDGNGD-BPQIPLTHSA-N 2 2 284.447 3.429 20 0 CGADLP CCC[N@H+](Cc1cc(F)ccc1Cl)C1CC[NH2+]CC1 ZINC000124516256 187141294 /nfs/dbraw/zinc/14/12/94/187141294.db2.gz SVHFAIGGXKHHSX-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP CCC[N@@H+](Cc1cc(F)ccc1Cl)C1CC[NH2+]CC1 ZINC000124516256 187141295 /nfs/dbraw/zinc/14/12/95/187141295.db2.gz SVHFAIGGXKHHSX-UHFFFAOYSA-N 2 2 284.806 3.443 20 0 CGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc(Cl)c1 ZINC000621259726 349483562 /nfs/dbraw/zinc/48/35/62/349483562.db2.gz FDZQWJJEUYMHPY-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc(Cl)c1 ZINC000621259726 349483565 /nfs/dbraw/zinc/48/35/65/349483565.db2.gz FDZQWJJEUYMHPY-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cncc(Cl)c1 ZINC000621259726 349483567 /nfs/dbraw/zinc/48/35/67/349483567.db2.gz FDZQWJJEUYMHPY-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cncc(Cl)c1 ZINC000621259726 349483570 /nfs/dbraw/zinc/48/35/70/349483570.db2.gz FDZQWJJEUYMHPY-HNNXBMFYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@H+](C)Cc2cncc(Cl)c2)CC1 ZINC000621261262 349484163 /nfs/dbraw/zinc/48/41/63/349484163.db2.gz KBRGURLRPRNHLQ-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cncc(Cl)c2)CC1 ZINC000621261262 349484165 /nfs/dbraw/zinc/48/41/65/349484165.db2.gz KBRGURLRPRNHLQ-UHFFFAOYSA-N 2 2 281.831 3.041 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337458881 214094745 /nfs/dbraw/zinc/09/47/45/214094745.db2.gz JVLVEGJQOFTEIN-ZIAGYGMSSA-N 2 2 250.430 3.029 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337458881 214094747 /nfs/dbraw/zinc/09/47/47/214094747.db2.gz JVLVEGJQOFTEIN-ZIAGYGMSSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000651225504 398218080 /nfs/dbraw/zinc/21/80/80/398218080.db2.gz DPUINYHOUVIUOC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000651225504 398218082 /nfs/dbraw/zinc/21/80/82/398218082.db2.gz DPUINYHOUVIUOC-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337505937 214128108 /nfs/dbraw/zinc/12/81/08/214128108.db2.gz FJPCCWIJVCAPJG-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337505937 214128111 /nfs/dbraw/zinc/12/81/11/214128111.db2.gz FJPCCWIJVCAPJG-CABCVRRESA-N 2 2 250.430 3.173 20 0 CGADLP CC[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000125018142 187166094 /nfs/dbraw/zinc/16/60/94/187166094.db2.gz CVDQWXKIDBMNDB-INIZCTEOSA-N 2 2 299.374 3.153 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125097530 187169465 /nfs/dbraw/zinc/16/94/65/187169465.db2.gz JRLZNGKRIHOHJD-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000125097530 187169466 /nfs/dbraw/zinc/16/94/66/187169466.db2.gz JRLZNGKRIHOHJD-LLVKDONJSA-N 2 2 282.790 3.053 20 0 CGADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000651716117 398274695 /nfs/dbraw/zinc/27/46/95/398274695.db2.gz LDNQIXTVUKXKFQ-AEFFLSMTSA-N 2 2 296.499 3.434 20 0 CGADLP c1c(CC[NH2+][C@H]2CC[C@H]2C2CCC2)[nH+]c2ccccn12 ZINC000337989789 214347275 /nfs/dbraw/zinc/34/72/75/214347275.db2.gz OMTNMPCFXJGYDB-HOTGVXAUSA-N 2 2 269.392 3.045 20 0 CGADLP FCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000367757495 282954613 /nfs/dbraw/zinc/95/46/13/282954613.db2.gz USPHJGQZUJVJNO-ZBFHGGJFSA-N 2 2 291.414 3.168 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1 ZINC000652207736 398327232 /nfs/dbraw/zinc/32/72/32/398327232.db2.gz RWGILAMZJHPOIY-QGZVFWFLSA-N 2 2 289.398 3.479 20 0 CGADLP C[C@@H](C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21)C[NH+](C)C ZINC000652200844 398327318 /nfs/dbraw/zinc/32/73/18/398327318.db2.gz MDZUIXXNQNPBER-GWCFXTLKSA-N 2 2 284.806 3.254 20 0 CGADLP CC[C@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423458143 529452900 /nfs/dbraw/zinc/45/29/00/529452900.db2.gz GJSPAAKENRPBNF-LBPRGKRZSA-N 2 2 252.361 3.083 20 0 CGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430205 529498448 /nfs/dbraw/zinc/49/84/48/529498448.db2.gz KROGEBRNAFQSCZ-LCSDZXHASA-N 2 2 284.403 3.172 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152980147 529519705 /nfs/dbraw/zinc/51/97/05/529519705.db2.gz PLDHDZIMXJJJRP-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H](COC)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152980147 529519707 /nfs/dbraw/zinc/51/97/07/529519707.db2.gz PLDHDZIMXJJJRP-ZWKOTPCHSA-N 2 2 290.451 3.056 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000423455776 529568004 /nfs/dbraw/zinc/56/80/04/529568004.db2.gz CVAJAMXSBSHKSH-NWDGAFQWSA-N 2 2 276.380 3.138 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423483416 529568223 /nfs/dbraw/zinc/56/82/23/529568223.db2.gz XTJCGUWBOMNPSW-WCQYABFASA-N 2 2 275.421 3.198 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CC)C1CCC1 ZINC000423508852 529611772 /nfs/dbraw/zinc/61/17/72/529611772.db2.gz QZGMZJYHEYFZTJ-DLBZAZTESA-N 2 2 260.425 3.417 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423510520 529611783 /nfs/dbraw/zinc/61/17/83/529611783.db2.gz SKRFPRWTLBPZTI-KUHUBIRLSA-N 2 2 298.430 3.092 20 0 CGADLP C[C@H]1CC([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@H](C)C1 ZINC000623089754 349758472 /nfs/dbraw/zinc/75/84/72/349758472.db2.gz WZEUNDCSWGGESM-CHWSQXEVSA-N 2 2 288.426 3.378 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C[C@@H]1C ZINC000623089521 349758712 /nfs/dbraw/zinc/75/87/12/349758712.db2.gz LAAJKBZPUAFAAB-IPYPFGDCSA-N 2 2 288.426 3.378 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C(C)(C)C ZINC000367383815 529620869 /nfs/dbraw/zinc/62/08/69/529620869.db2.gz FATGOKVQTNYFGB-KGLIPLIRSA-N 2 2 263.429 3.483 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423129006 529626828 /nfs/dbraw/zinc/62/68/28/529626828.db2.gz LOJUQYKSMINHPW-IRXDYDNUSA-N 2 2 276.399 3.323 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)CC1(C)C ZINC000623335834 349780849 /nfs/dbraw/zinc/78/08/49/349780849.db2.gz HDCRNKMQLTULET-ZDUSSCGKSA-N 2 2 266.816 3.302 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cl)CC1(C)C ZINC000623335834 349780853 /nfs/dbraw/zinc/78/08/53/349780853.db2.gz HDCRNKMQLTULET-ZDUSSCGKSA-N 2 2 266.816 3.302 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccncc1 ZINC000423507095 529617132 /nfs/dbraw/zinc/61/71/32/529617132.db2.gz PQLVAWHDLRCSRD-MSOLQXFVSA-N 2 2 283.419 3.385 20 0 CGADLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OC(F)F ZINC000423322187 529618924 /nfs/dbraw/zinc/61/89/24/529618924.db2.gz NSPGOPUIYRXEMU-STQMWFEESA-N 2 2 284.350 3.066 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000427867488 529661499 /nfs/dbraw/zinc/66/14/99/529661499.db2.gz RVPYVRMLYZBIMR-DOMZBBRYSA-N 2 2 291.345 3.217 20 0 CGADLP CC(C)CCC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000338433305 214592823 /nfs/dbraw/zinc/59/28/23/214592823.db2.gz XHNKRDJXZQHUMC-UHFFFAOYSA-N 2 2 290.451 3.045 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CCC2)n1 ZINC000623391878 349797015 /nfs/dbraw/zinc/79/70/15/349797015.db2.gz IRCNDHWAWJCBKB-ZDUSSCGKSA-N 2 2 293.480 3.293 20 0 CGADLP Cc1csc(C2([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CCC2)n1 ZINC000623391878 349797021 /nfs/dbraw/zinc/79/70/21/349797021.db2.gz IRCNDHWAWJCBKB-ZDUSSCGKSA-N 2 2 293.480 3.293 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406073 349800689 /nfs/dbraw/zinc/80/06/89/349800689.db2.gz IXMJRAMTXGFMBW-OLZOCXBDSA-N 2 2 281.469 3.365 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(C)cs1 ZINC000623406073 349800692 /nfs/dbraw/zinc/80/06/92/349800692.db2.gz IXMJRAMTXGFMBW-OLZOCXBDSA-N 2 2 281.469 3.365 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc32)CC1(C)C ZINC000623424375 349804309 /nfs/dbraw/zinc/80/43/09/349804309.db2.gz PAGWNGREHCBYBF-JSGCOSHPSA-N 2 2 276.449 3.296 20 0 CGADLP CSCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000351141378 219082324 /nfs/dbraw/zinc/08/23/24/219082324.db2.gz MWOPEKOPPBTUIO-INIZCTEOSA-N 2 2 280.481 3.096 20 0 CGADLP CSCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000351141378 219082325 /nfs/dbraw/zinc/08/23/25/219082325.db2.gz MWOPEKOPPBTUIO-INIZCTEOSA-N 2 2 280.481 3.096 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000423261292 529706928 /nfs/dbraw/zinc/70/69/28/529706928.db2.gz JLQCEOOTSUROAF-DOMZBBRYSA-N 2 2 264.413 3.400 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450148 349812215 /nfs/dbraw/zinc/81/22/15/349812215.db2.gz WIQSWUQIJXVCHF-OCCSQVGLSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450148 349812219 /nfs/dbraw/zinc/81/22/19/349812219.db2.gz WIQSWUQIJXVCHF-OCCSQVGLSA-N 2 2 294.826 3.236 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866761 346942757 /nfs/dbraw/zinc/94/27/57/346942757.db2.gz FDMVGFDFKZUTOU-CJNGLKHVSA-N 2 2 273.355 3.420 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866761 346942761 /nfs/dbraw/zinc/94/27/61/346942761.db2.gz FDMVGFDFKZUTOU-CJNGLKHVSA-N 2 2 273.355 3.420 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000422819502 282276945 /nfs/dbraw/zinc/27/69/45/282276945.db2.gz NBCUYTHMOBGQGQ-BZSNNMDCSA-N 3 2 295.515 3.137 20 0 CGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503135 349822273 /nfs/dbraw/zinc/82/22/73/349822273.db2.gz NDKQLSVYDGABBB-WFASDCNBSA-N 2 2 292.398 3.112 20 0 CGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)CC1(C)C ZINC000623503135 349822276 /nfs/dbraw/zinc/82/22/76/349822276.db2.gz NDKQLSVYDGABBB-WFASDCNBSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CC34CCCCC4)c[nH+]c12 ZINC000623568291 349836519 /nfs/dbraw/zinc/83/65/19/349836519.db2.gz WVMBVYRZUFOYLR-OAHLLOKOSA-N 2 2 269.392 3.455 20 0 CGADLP COCc1csc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000623729008 349872283 /nfs/dbraw/zinc/87/22/83/349872283.db2.gz JYHFJMXSTJAJOG-OAHLLOKOSA-N 2 2 294.464 3.001 20 0 CGADLP COCc1csc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000623729008 349872286 /nfs/dbraw/zinc/87/22/86/349872286.db2.gz JYHFJMXSTJAJOG-OAHLLOKOSA-N 2 2 294.464 3.001 20 0 CGADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]2C[C@H]2C1 ZINC000623741553 349875663 /nfs/dbraw/zinc/87/56/63/349875663.db2.gz SASCZZCKUHVYGG-VIKVFOODSA-N 2 2 287.432 3.460 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000623786505 349884393 /nfs/dbraw/zinc/88/43/93/349884393.db2.gz VFDSDPKNKCGXDQ-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000623786505 349884395 /nfs/dbraw/zinc/88/43/95/349884395.db2.gz VFDSDPKNKCGXDQ-ULQDDVLXSA-N 2 2 258.409 3.007 20 0 CGADLP Cc1csc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000623853460 349895968 /nfs/dbraw/zinc/89/59/68/349895968.db2.gz YSBZYIDOQAVNSO-NSHDSACASA-N 2 2 281.469 3.411 20 0 CGADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000423226618 529978574 /nfs/dbraw/zinc/97/85/74/529978574.db2.gz RMSKRZDMYDDPLG-AWEZNQCLSA-N 2 2 284.831 3.245 20 0 CGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000033883619 344936427 /nfs/dbraw/zinc/93/64/27/344936427.db2.gz KWNAOVXAOOUNSF-UHFFFAOYSA-N 2 2 298.434 3.133 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040671641 344964848 /nfs/dbraw/zinc/96/48/48/344964848.db2.gz QGLCLQKODHTVEA-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000040671641 344964850 /nfs/dbraw/zinc/96/48/50/344964850.db2.gz QGLCLQKODHTVEA-INIZCTEOSA-N 2 2 260.425 3.168 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040671741 344964883 /nfs/dbraw/zinc/96/48/83/344964883.db2.gz DRJPSQNPUKHCIL-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000040671741 344964886 /nfs/dbraw/zinc/96/48/86/344964886.db2.gz DRJPSQNPUKHCIL-NRXISQOPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353178 345009188 /nfs/dbraw/zinc/00/91/88/345009188.db2.gz MELZKCNUYPFWND-UKRRQHHQSA-N 2 2 273.380 3.170 20 0 CGADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000044353324 345009496 /nfs/dbraw/zinc/00/94/96/345009496.db2.gz QDQCRAWRTMLQQU-UHFFFAOYSA-N 2 2 257.381 3.070 20 0 CGADLP Fc1cccc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000045105988 345021082 /nfs/dbraw/zinc/02/10/82/345021082.db2.gz WGGBUDKQOJBSIN-UHFFFAOYSA-N 2 2 287.382 3.338 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NC[C@H]1CC[NH2+]CC1(F)F ZINC000576279596 335182030 /nfs/dbraw/zinc/18/20/30/335182030.db2.gz CUNUKHJRBLUQNH-GFCCVEGCSA-N 2 2 291.345 3.200 20 0 CGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000078674965 345619159 /nfs/dbraw/zinc/61/91/59/345619159.db2.gz OANIYPGYLKZYTF-QGZVFWFLSA-N 2 2 281.403 3.040 20 0 CGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc[nH+]1 ZINC000078674965 345619162 /nfs/dbraw/zinc/61/91/62/345619162.db2.gz OANIYPGYLKZYTF-QGZVFWFLSA-N 2 2 281.403 3.040 20 0 CGADLP C[C@@H](CCNc1cccc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000080671382 345682612 /nfs/dbraw/zinc/68/26/12/345682612.db2.gz YBTOCWLIUSQCSE-HNNXBMFYSA-N 2 2 269.392 3.404 20 0 CGADLP C[C@@H](CCNc1cccc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000080671382 345682614 /nfs/dbraw/zinc/68/26/14/345682614.db2.gz YBTOCWLIUSQCSE-HNNXBMFYSA-N 2 2 269.392 3.404 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000080959832 345692135 /nfs/dbraw/zinc/69/21/35/345692135.db2.gz TUJHALUOXYMHSW-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000080959832 345692139 /nfs/dbraw/zinc/69/21/39/345692139.db2.gz TUJHALUOXYMHSW-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000090846665 345795650 /nfs/dbraw/zinc/79/56/50/345795650.db2.gz LRZFHQRQWCFROK-ZDUSSCGKSA-N 2 2 266.454 3.442 20 0 CGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000090992089 345799868 /nfs/dbraw/zinc/79/98/68/345799868.db2.gz WHBLTBFBYJNWEC-UHFFFAOYSA-N 2 2 281.359 3.372 20 0 CGADLP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071400 345830329 /nfs/dbraw/zinc/83/03/29/345830329.db2.gz AUSJFVZBCRNEHI-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cc(F)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071400 345830332 /nfs/dbraw/zinc/83/03/32/345830332.db2.gz AUSJFVZBCRNEHI-GFCCVEGCSA-N 2 2 277.318 3.068 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093741959 345885678 /nfs/dbraw/zinc/88/56/78/345885678.db2.gz AKXJYKFUVNQJSM-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)C)s2)C1 ZINC000093741959 345885680 /nfs/dbraw/zinc/88/56/80/345885680.db2.gz AKXJYKFUVNQJSM-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093741959 345885683 /nfs/dbraw/zinc/88/56/83/345885683.db2.gz AKXJYKFUVNQJSM-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000093741959 345885685 /nfs/dbraw/zinc/88/56/85/345885685.db2.gz AKXJYKFUVNQJSM-AWEZNQCLSA-N 2 2 295.496 3.430 20 0 CGADLP C/C(=C\c1ccccc1)C[NH2+]CC[NH+]1CCCCC1 ZINC000141626841 346109421 /nfs/dbraw/zinc/10/94/21/346109421.db2.gz DNINIZPLNWMJEX-JQIJEIRASA-N 2 2 258.409 3.165 20 0 CGADLP Cc1cccc(N2CC[NH+](Cc3ccccc3C)CC2)[nH+]1 ZINC000177872754 232376770 /nfs/dbraw/zinc/37/67/70/232376770.db2.gz JOHSHAXIPIEXEF-UHFFFAOYSA-N 2 2 281.403 3.021 20 0 CGADLP CC(C)[NH2+]CCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000168865853 346191302 /nfs/dbraw/zinc/19/13/02/346191302.db2.gz RTEUJEHLKORFIE-UHFFFAOYSA-N 2 2 299.374 3.201 20 0 CGADLP Cc1cccc(N2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000127614868 187319574 /nfs/dbraw/zinc/31/95/74/187319574.db2.gz CZYSFURRLXFCSG-UHFFFAOYSA-N 2 2 281.403 3.102 20 0 CGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000127614868 187319577 /nfs/dbraw/zinc/31/95/77/187319577.db2.gz CZYSFURRLXFCSG-UHFFFAOYSA-N 2 2 281.403 3.102 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000300248489 346436563 /nfs/dbraw/zinc/43/65/63/346436563.db2.gz POOJGKAPPRFYDP-TZMCWYRMSA-N 2 2 266.816 3.221 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000300248489 346436567 /nfs/dbraw/zinc/43/65/67/346436567.db2.gz POOJGKAPPRFYDP-TZMCWYRMSA-N 2 2 266.816 3.221 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCC1 ZINC000624077936 349965199 /nfs/dbraw/zinc/96/51/99/349965199.db2.gz HZZFMMYLZQPRLX-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000624077936 349965200 /nfs/dbraw/zinc/96/52/00/349965200.db2.gz HZZFMMYLZQPRLX-WBVHZDCISA-N 2 2 294.483 3.331 20 0 CGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400469827 346589359 /nfs/dbraw/zinc/58/93/59/346589359.db2.gz XHSQHXCGNCFXOQ-DZKIICNBSA-N 2 2 276.424 3.265 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC(F)(F)C3)n2c1 ZINC000281654691 232565912 /nfs/dbraw/zinc/56/59/12/232565912.db2.gz NEDRPGGVOHFWOX-GFCCVEGCSA-N 2 2 279.334 3.168 20 0 CGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594746916 347215775 /nfs/dbraw/zinc/21/57/75/347215775.db2.gz HCHJJDZOQLVALQ-KRWDZBQOSA-N 2 2 290.451 3.226 20 0 CGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594746916 347215779 /nfs/dbraw/zinc/21/57/79/347215779.db2.gz HCHJJDZOQLVALQ-KRWDZBQOSA-N 2 2 290.451 3.226 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000128433336 535065204 /nfs/dbraw/zinc/06/52/04/535065204.db2.gz LKHOSMNLLUKLQW-OAHLLOKOSA-N 2 2 287.407 3.147 20 0 CGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000128433336 535065208 /nfs/dbraw/zinc/06/52/08/535065208.db2.gz LKHOSMNLLUKLQW-OAHLLOKOSA-N 2 2 287.407 3.147 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434176 215167248 /nfs/dbraw/zinc/16/72/48/215167248.db2.gz SHLCFWHYJZSHNM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434176 215167251 /nfs/dbraw/zinc/16/72/51/215167251.db2.gz SHLCFWHYJZSHNM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434176 215167252 /nfs/dbraw/zinc/16/72/52/215167252.db2.gz SHLCFWHYJZSHNM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434176 215167254 /nfs/dbraw/zinc/16/72/54/215167254.db2.gz SHLCFWHYJZSHNM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP Cc1cccc(NCC2([NH+](C)C)CCCCCC2)[nH+]1 ZINC000357897407 233023277 /nfs/dbraw/zinc/02/32/77/233023277.db2.gz XVQQRCMQFSPDMG-UHFFFAOYSA-N 2 2 261.413 3.457 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358014877 233037525 /nfs/dbraw/zinc/03/75/25/233037525.db2.gz DTGNNJFAKCWIKJ-DEYYWGMASA-N 2 2 288.435 3.219 20 0 CGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358014877 233037526 /nfs/dbraw/zinc/03/75/26/233037526.db2.gz DTGNNJFAKCWIKJ-DEYYWGMASA-N 2 2 288.435 3.219 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090174 233056761 /nfs/dbraw/zinc/05/67/61/233056761.db2.gz VTEBQBLAUPAAQI-SCVCMEIPSA-N 2 2 286.341 3.237 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000358090174 233056763 /nfs/dbraw/zinc/05/67/63/233056763.db2.gz VTEBQBLAUPAAQI-SCVCMEIPSA-N 2 2 286.341 3.237 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272633 350016189 /nfs/dbraw/zinc/01/61/89/350016189.db2.gz MXHBXHVEGYZNGH-YPMHNXCESA-N 2 2 290.373 3.181 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000624272633 350016191 /nfs/dbraw/zinc/01/61/91/350016191.db2.gz MXHBXHVEGYZNGH-YPMHNXCESA-N 2 2 290.373 3.181 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000626089432 350258042 /nfs/dbraw/zinc/25/80/42/350258042.db2.gz QOLAADDQBXAJNE-KRWDZBQOSA-N 2 2 296.499 3.245 20 0 CGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCC(C)(C)C)CC1 ZINC000626089309 350258437 /nfs/dbraw/zinc/25/84/37/350258437.db2.gz KSCZKLVMOBTBOG-UHFFFAOYSA-N 2 2 296.499 3.390 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCCC2(CC2)CC1 ZINC000626114942 350264079 /nfs/dbraw/zinc/26/40/79/350264079.db2.gz ZTZGAKKNXZGAGG-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CCCC2(CC2)CC1 ZINC000626114942 350264083 /nfs/dbraw/zinc/26/40/83/350264083.db2.gz ZTZGAKKNXZGAGG-UHFFFAOYSA-N 2 2 255.365 3.100 20 0 CGADLP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)o1 ZINC000628217424 350445372 /nfs/dbraw/zinc/44/53/72/350445372.db2.gz WMFGKYGNGHUZFP-AWEZNQCLSA-N 2 2 299.418 3.298 20 0 CGADLP Cc1ccc([C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000628265348 350470524 /nfs/dbraw/zinc/47/05/24/350470524.db2.gz AUHABWDUGJHYNT-HNNXBMFYSA-N 2 2 283.419 3.421 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@H]2Cc3ccccc3CO2)c[nH+]1 ZINC000628382619 350520782 /nfs/dbraw/zinc/52/07/82/350520782.db2.gz BEKKJNCXSGXZGA-IBGZPJMESA-N 2 2 296.414 3.054 20 0 CGADLP C[C@H]1C[NH+](Cc2cccc3[nH+]ccn32)C[C@H](C)C1(F)F ZINC000628390842 350523161 /nfs/dbraw/zinc/52/31/61/350523161.db2.gz PFCLQFYTXSXDLV-RYUDHWBXSA-N 2 2 279.334 3.057 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629535892 350704565 /nfs/dbraw/zinc/70/45/65/350704565.db2.gz FIPCSQAFLHENDL-YCPHGPKFSA-N 2 2 276.424 3.267 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C2CC2)c1 ZINC000629535805 350704955 /nfs/dbraw/zinc/70/49/55/350704955.db2.gz DETLYFXMWWKFKF-XNJGSVPQSA-N 2 2 258.409 3.355 20 0 CGADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000629538327 350705910 /nfs/dbraw/zinc/70/59/10/350705910.db2.gz LBOPAIUBYQMPHN-BZPMIXESSA-N 2 2 278.465 3.418 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C[NH2+]1 ZINC000629540673 350707666 /nfs/dbraw/zinc/70/76/66/350707666.db2.gz SERWEMKIEXRJMH-XZUYRWCXSA-N 2 2 282.478 3.404 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C[NH2+]1 ZINC000629541793 350707680 /nfs/dbraw/zinc/70/76/80/350707680.db2.gz WGSMDKFROASZRX-DVOMOZLQSA-N 2 2 258.409 3.139 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C[NH2+]1 ZINC000629543047 350708815 /nfs/dbraw/zinc/70/88/15/350708815.db2.gz ROXAGIOMERDTIR-XFBWCDHKSA-N 2 2 262.372 3.007 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000629547092 350710365 /nfs/dbraw/zinc/71/03/65/350710365.db2.gz GCKYGERQVUSSDZ-ZLKJLUDKSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)s2)C[NH2+]1 ZINC000629413626 350690777 /nfs/dbraw/zinc/69/07/77/350690777.db2.gz NHXJWLAFQTZGPO-NWDGAFQWSA-N 2 2 266.454 3.276 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000629525338 350701334 /nfs/dbraw/zinc/70/13/34/350701334.db2.gz ZYNCATVTQSRYLI-KXUCPTDWSA-N 2 2 258.818 3.193 20 0 CGADLP Cc1[nH]cc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)[nH+]1 ZINC000629702537 350744770 /nfs/dbraw/zinc/74/47/70/350744770.db2.gz PFLRARFLBPRZBR-GFCCVEGCSA-N 2 2 255.365 3.369 20 0 CGADLP Cc1[nH]cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)[nH+]1 ZINC000629702537 350744772 /nfs/dbraw/zinc/74/47/72/350744772.db2.gz PFLRARFLBPRZBR-GFCCVEGCSA-N 2 2 255.365 3.369 20 0 CGADLP Cn1cc[nH+]c1-c1cccc(C2(C[NH3+])CCCCC2)c1 ZINC000630051456 350801053 /nfs/dbraw/zinc/80/10/53/350801053.db2.gz AZBKVNGVRZQLEE-UHFFFAOYSA-N 2 2 269.392 3.248 20 0 CGADLP c1cn(Cc2ccc(-c3c[nH+]c4n3CCCC4)cc2)c[nH+]1 ZINC000630053673 350802627 /nfs/dbraw/zinc/80/26/27/350802627.db2.gz SFMUUJOJFNWDAP-UHFFFAOYSA-N 2 2 278.359 3.131 20 0 CGADLP Cc1ncc([C@H](C)[NH2+]Cc2c[nH+]c3ccc(C)cn23)s1 ZINC000631224201 350997398 /nfs/dbraw/zinc/99/73/98/350997398.db2.gz PORDYLWQJDKWJP-NSHDSACASA-N 2 2 286.404 3.258 20 0 CGADLP CC(C)[NH2+]C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631095441 350952040 /nfs/dbraw/zinc/95/20/40/350952040.db2.gz FMQFLVDBYRBGIL-UHFFFAOYSA-N 2 2 269.392 3.202 20 0 CGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CCc1cn(C)c[nH+]1 ZINC000631636018 351100455 /nfs/dbraw/zinc/10/04/55/351100455.db2.gz WXZWHFJQJUWMHO-CQSZACIVSA-N 2 2 296.418 3.055 20 0 CGADLP Fc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631891167 351152529 /nfs/dbraw/zinc/15/25/29/351152529.db2.gz YVDRHNHLYAAYSV-SWLSCSKDSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631891167 351152530 /nfs/dbraw/zinc/15/25/30/351152530.db2.gz YVDRHNHLYAAYSV-SWLSCSKDSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC000631889410 351152780 /nfs/dbraw/zinc/15/27/80/351152780.db2.gz FRUVIBUJEWINMI-QFBILLFUSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2c1 ZINC000631889410 351152785 /nfs/dbraw/zinc/15/27/85/351152785.db2.gz FRUVIBUJEWINMI-QFBILLFUSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccon2)c(C)c1 ZINC000634972631 351613283 /nfs/dbraw/zinc/61/32/83/351613283.db2.gz COKOLSNBLZGYPV-QGZVFWFLSA-N 2 2 296.374 3.019 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991823 351619168 /nfs/dbraw/zinc/61/91/68/351619168.db2.gz SGPWUYVAKHLZRH-XIKARTHZSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991823 351619170 /nfs/dbraw/zinc/61/91/70/351619170.db2.gz SGPWUYVAKHLZRH-XIKARTHZSA-N 2 2 264.800 3.085 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@@H+]1C ZINC000123120319 187072340 /nfs/dbraw/zinc/07/23/40/187072340.db2.gz ZWLSYPYVTPPFSU-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)CC[N@H+]1C ZINC000123120319 187072341 /nfs/dbraw/zinc/07/23/41/187072341.db2.gz ZWLSYPYVTPPFSU-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120319 187072342 /nfs/dbraw/zinc/07/23/42/187072342.db2.gz ZWLSYPYVTPPFSU-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)CC[NH+]1C ZINC000123120319 187072343 /nfs/dbraw/zinc/07/23/43/187072343.db2.gz ZWLSYPYVTPPFSU-OCCSQVGLSA-N 2 2 298.377 3.203 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cs1 ZINC000271556251 191210528 /nfs/dbraw/zinc/21/05/28/191210528.db2.gz VUTLPTXPLQFLQC-LLVKDONJSA-N 2 2 261.394 3.048 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCCc3ccccc31)C2 ZINC000367997128 234266769 /nfs/dbraw/zinc/26/67/69/234266769.db2.gz PNTRJMMGLNRHSZ-GOEBONIOSA-N 2 2 281.403 3.324 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCCc3ccccc31)CC2 ZINC000367997128 234266770 /nfs/dbraw/zinc/26/67/70/234266770.db2.gz PNTRJMMGLNRHSZ-GOEBONIOSA-N 2 2 281.403 3.324 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368103749 234282413 /nfs/dbraw/zinc/28/24/13/234282413.db2.gz YJZVTBUQCZUGKE-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368103749 234282418 /nfs/dbraw/zinc/28/24/18/234282418.db2.gz YJZVTBUQCZUGKE-FUHWJXTLSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783611 188161290 /nfs/dbraw/zinc/16/12/90/188161290.db2.gz KOIWISCZRRZOSZ-CPUCHLNUSA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154783611 188161291 /nfs/dbraw/zinc/16/12/91/188161291.db2.gz KOIWISCZRRZOSZ-CPUCHLNUSA-N 2 2 299.418 3.160 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155660731 188219380 /nfs/dbraw/zinc/21/93/80/188219380.db2.gz MGWOUYDHXSHHDD-LLVKDONJSA-N 2 2 278.425 3.122 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(NCc3[nH]cc[nH+]3)cc2)C1 ZINC000156100802 188243290 /nfs/dbraw/zinc/24/32/90/188243290.db2.gz KKQYQGRSQMQPNZ-AWEZNQCLSA-N 2 2 284.407 3.254 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NCc3[nH]cc[nH+]3)cc2)C1 ZINC000156100802 188243292 /nfs/dbraw/zinc/24/32/92/188243292.db2.gz KKQYQGRSQMQPNZ-AWEZNQCLSA-N 2 2 284.407 3.254 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)co2)cc1 ZINC000156339527 188257235 /nfs/dbraw/zinc/25/72/35/188257235.db2.gz QRZFMFQQNGYAMQ-ZBFHGGJFSA-N 2 2 299.418 3.222 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)co2)cc1 ZINC000156339527 188257236 /nfs/dbraw/zinc/25/72/36/188257236.db2.gz QRZFMFQQNGYAMQ-ZBFHGGJFSA-N 2 2 299.418 3.222 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000156814249 188282296 /nfs/dbraw/zinc/28/22/96/188282296.db2.gz BBSZJCRVXMIMJG-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000156814249 188282297 /nfs/dbraw/zinc/28/22/97/188282297.db2.gz BBSZJCRVXMIMJG-IUODEOHRSA-N 2 2 296.842 3.169 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000353622178 283003653 /nfs/dbraw/zinc/00/36/53/283003653.db2.gz LYNDYPJRENTDGV-HIFRSBDPSA-N 2 2 285.366 3.073 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000353622178 283003658 /nfs/dbraw/zinc/00/36/58/283003658.db2.gz LYNDYPJRENTDGV-HIFRSBDPSA-N 2 2 285.366 3.073 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000413539725 235288697 /nfs/dbraw/zinc/28/86/97/235288697.db2.gz ZNBNVSOVWXIIQV-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000413539725 235288699 /nfs/dbraw/zinc/28/86/99/235288699.db2.gz ZNBNVSOVWXIIQV-MRXNPFEDSA-N 2 2 281.403 3.101 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000414118190 235340400 /nfs/dbraw/zinc/34/04/00/235340400.db2.gz UQQJHQDXNKFYAL-DEYYWGMASA-N 2 2 288.435 3.137 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1 ZINC000414118190 235340401 /nfs/dbraw/zinc/34/04/01/235340401.db2.gz UQQJHQDXNKFYAL-DEYYWGMASA-N 2 2 288.435 3.137 20 0 CGADLP Cn1c[nH+]c(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)c1 ZINC000414122964 235341025 /nfs/dbraw/zinc/34/10/25/235341025.db2.gz IZWFNFDYHNLKOI-IRXDYDNUSA-N 2 2 283.419 3.135 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337826 235391305 /nfs/dbraw/zinc/39/13/05/235391305.db2.gz LCLVFAKBPGYLHW-HPBDAGMYSA-N 2 2 296.414 3.246 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414337826 235391308 /nfs/dbraw/zinc/39/13/08/235391308.db2.gz LCLVFAKBPGYLHW-HPBDAGMYSA-N 2 2 296.414 3.246 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000091264063 138343825 /nfs/dbraw/zinc/34/38/25/138343825.db2.gz MLFGPWUVQDNGOK-INIZCTEOSA-N 2 2 257.381 3.178 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000091261993 138343705 /nfs/dbraw/zinc/34/37/05/138343705.db2.gz PNWUCDNEGKUPCY-QGZVFWFLSA-N 2 2 269.392 3.323 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000125158346 138380325 /nfs/dbraw/zinc/38/03/25/138380325.db2.gz SMURKIGDSIGPGG-CMPLNLGQSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000125158346 138380326 /nfs/dbraw/zinc/38/03/26/138380326.db2.gz SMURKIGDSIGPGG-CMPLNLGQSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@@H+]1C ZINC000125158103 138380378 /nfs/dbraw/zinc/38/03/78/138380378.db2.gz SMURKIGDSIGPGG-ZYHUDNBSSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)CC[N@H+]1C ZINC000125158103 138380379 /nfs/dbraw/zinc/38/03/79/138380379.db2.gz SMURKIGDSIGPGG-ZYHUDNBSSA-N 2 2 270.779 3.051 20 0 CGADLP CCCCOc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000128768224 138394921 /nfs/dbraw/zinc/39/49/21/138394921.db2.gz VQBLQQLMACKYGD-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1F ZINC000423236011 236005318 /nfs/dbraw/zinc/00/53/18/236005318.db2.gz HBUUNAOPOGAAEL-WBMJQRKESA-N 2 2 288.366 3.185 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H](C[NH3+])C3CC3)oc2c1 ZINC000423273817 236017844 /nfs/dbraw/zinc/01/78/44/236017844.db2.gz JNHBAFHNUIQNLW-FZMZJTMJSA-N 2 2 258.365 3.129 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000423312574 236034054 /nfs/dbraw/zinc/03/40/54/236034054.db2.gz DNTIAFRYTQVBKS-ZWKOTPCHSA-N 2 2 284.378 3.242 20 0 CGADLP C[C@@H](C[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000423380830 236057147 /nfs/dbraw/zinc/05/71/47/236057147.db2.gz YTCBAZVXZVBRNS-LRDDRELGSA-N 2 2 274.795 3.366 20 0 CGADLP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000424137456 236123567 /nfs/dbraw/zinc/12/35/67/236123567.db2.gz BXALHXHXZHNCHU-QWHCGFSZSA-N 2 2 282.378 3.236 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3C[C@H]3C3CCC3)c2)c[nH+]1 ZINC000424175468 236128385 /nfs/dbraw/zinc/12/83/85/236128385.db2.gz QMAMNLPZAFTCLP-BBRMVZONSA-N 2 2 287.432 3.460 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000424373009 236158579 /nfs/dbraw/zinc/15/85/79/236158579.db2.gz XFJWTERRROGDPR-HZPDHXFCSA-N 2 2 270.376 3.306 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Cl)c1 ZINC000336200148 213020110 /nfs/dbraw/zinc/02/01/10/213020110.db2.gz YODHXBDCZWKRPS-ZYHUDNBSSA-N 2 2 293.773 3.341 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294817572 199197041 /nfs/dbraw/zinc/19/70/41/199197041.db2.gz QYPKQZXZAALKTP-OAHLLOKOSA-N 2 2 299.418 3.036 20 0 CGADLP CCC1([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000296612020 199946353 /nfs/dbraw/zinc/94/63/53/199946353.db2.gz WKHOZVCZQYPDKO-ZDUSSCGKSA-N 2 2 255.365 3.466 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000436412213 237097219 /nfs/dbraw/zinc/09/72/19/237097219.db2.gz PBPONHLZKIQYSN-BRWVUGGUSA-N 2 2 281.403 3.124 20 0 CGADLP C[C@@H]1[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@H]1c1ccccc1 ZINC000437104325 237252990 /nfs/dbraw/zinc/25/29/90/237252990.db2.gz DWVNZQGSNLMQJZ-USXIJHARSA-N 2 2 272.436 3.253 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000341679883 216063949 /nfs/dbraw/zinc/06/39/49/216063949.db2.gz CHTYUVABKOFWGK-LBPRGKRZSA-N 2 2 281.469 3.401 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc(C)c1F ZINC000341940791 216160319 /nfs/dbraw/zinc/16/03/19/216160319.db2.gz HOTQUKYRADSDKE-AWEZNQCLSA-N 2 2 264.388 3.189 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccsc1 ZINC000177829456 189072756 /nfs/dbraw/zinc/07/27/56/189072756.db2.gz ZPJNEDBRSSSCRL-GFCCVEGCSA-N 2 2 271.389 3.289 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178449326 189117754 /nfs/dbraw/zinc/11/77/54/189117754.db2.gz QYPKJRIGERWUTC-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178449326 189117755 /nfs/dbraw/zinc/11/77/55/189117755.db2.gz QYPKJRIGERWUTC-BQFCYCMXSA-N 2 2 290.451 3.054 20 0 CGADLP c1cn2c(cccc2C[NH2+]CCC2=CCCCC2)[nH+]1 ZINC000179414285 189192630 /nfs/dbraw/zinc/19/26/30/189192630.db2.gz VDLJXCWFOIIMET-UHFFFAOYSA-N 2 2 255.365 3.314 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccccn1 ZINC000179467897 189196267 /nfs/dbraw/zinc/19/62/67/189196267.db2.gz UNGYTWYQKVDFBF-HNNXBMFYSA-N 2 2 287.451 3.387 20 0 CGADLP CC1(C)CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342186969 216252253 /nfs/dbraw/zinc/25/22/53/216252253.db2.gz FIVDSJCNBKYODS-CYBMUJFWSA-N 2 2 261.394 3.212 20 0 CGADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000181739510 189305632 /nfs/dbraw/zinc/30/56/32/189305632.db2.gz SESMQXJSMFLUFP-GOEBONIOSA-N 2 2 284.407 3.326 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565821 370687282 /nfs/dbraw/zinc/68/72/82/370687282.db2.gz PZJCBFCPLPVRGK-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000119565821 370687286 /nfs/dbraw/zinc/68/72/86/370687286.db2.gz PZJCBFCPLPVRGK-TXPKVOOTSA-N 2 2 295.430 3.395 20 0 CGADLP CC(C)C[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)[NH+](C)C ZINC000301562522 201068808 /nfs/dbraw/zinc/06/88/08/201068808.db2.gz YFOQAYJEBYCSEM-ZDUSSCGKSA-N 2 2 278.444 3.162 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183181516 189349402 /nfs/dbraw/zinc/34/94/02/189349402.db2.gz JKLGWOCLOOLXJF-KRWDZBQOSA-N 2 2 271.408 3.226 20 0 CGADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183181516 189349403 /nfs/dbraw/zinc/34/94/03/189349403.db2.gz JKLGWOCLOOLXJF-KRWDZBQOSA-N 2 2 271.408 3.226 20 0 CGADLP Cc1cc(NCCc2cc[nH+]cc2C)nc(C(C)C)[nH+]1 ZINC000301848354 201231168 /nfs/dbraw/zinc/23/11/68/201231168.db2.gz NZZHGOVEVCIKTF-UHFFFAOYSA-N 2 2 270.380 3.266 20 0 CGADLP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449013667 239114761 /nfs/dbraw/zinc/11/47/61/239114761.db2.gz LVWGKPCFGUUNNZ-GFCCVEGCSA-N 2 2 282.378 3.094 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000449109445 239184145 /nfs/dbraw/zinc/18/41/45/239184145.db2.gz WUIHOLDWBNETHO-HZPDHXFCSA-N 2 2 298.430 3.247 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000449109445 239184147 /nfs/dbraw/zinc/18/41/47/239184147.db2.gz WUIHOLDWBNETHO-HZPDHXFCSA-N 2 2 298.430 3.247 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCC1 ZINC000449262741 239276780 /nfs/dbraw/zinc/27/67/80/239276780.db2.gz FFABOSUDWIKROM-UHFFFAOYSA-N 2 2 294.483 3.331 20 0 CGADLP Cc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1F ZINC000449305868 239304110 /nfs/dbraw/zinc/30/41/10/239304110.db2.gz UWJMPXUJDXGHQX-UHFFFAOYSA-N 2 2 264.388 3.052 20 0 CGADLP Cc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1F ZINC000449305868 239304114 /nfs/dbraw/zinc/30/41/14/239304114.db2.gz UWJMPXUJDXGHQX-UHFFFAOYSA-N 2 2 264.388 3.052 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000119973879 370727900 /nfs/dbraw/zinc/72/79/00/370727900.db2.gz LHOCBVXWSRWSGD-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000119973879 370727902 /nfs/dbraw/zinc/72/79/02/370727902.db2.gz LHOCBVXWSRWSGD-IXDOHACOSA-N 2 2 290.451 3.145 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CC2)c2ccccc21 ZINC000335600938 212312136 /nfs/dbraw/zinc/31/21/36/212312136.db2.gz DMMRXDMUXIGIHG-IAGOWNOFSA-N 2 2 264.372 3.410 20 0 CGADLP Cc1ccsc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000120911927 370811710 /nfs/dbraw/zinc/81/17/10/370811710.db2.gz UVYWDVHMBBGSSJ-UHFFFAOYSA-N 2 2 287.432 3.082 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000275761801 193122827 /nfs/dbraw/zinc/12/28/27/193122827.db2.gz UPNMYPPXVURDIC-NJAFHUGGSA-N 2 2 283.419 3.372 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000335498653 299365707 /nfs/dbraw/zinc/36/57/07/299365707.db2.gz SGEXULRNKVKXFV-DZGCQCFKSA-N 2 2 269.392 3.028 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459311873 242065579 /nfs/dbraw/zinc/06/55/79/242065579.db2.gz VYQVFPWSZYHIIB-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000459340354 242080239 /nfs/dbraw/zinc/08/02/39/242080239.db2.gz IRDQFCVWLHQLDU-UHFFFAOYSA-N 2 2 261.413 3.009 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000459340354 242080241 /nfs/dbraw/zinc/08/02/41/242080241.db2.gz IRDQFCVWLHQLDU-UHFFFAOYSA-N 2 2 261.413 3.009 20 0 CGADLP CC(C)C[C@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459346768 242082333 /nfs/dbraw/zinc/08/23/33/242082333.db2.gz UYOPSPDJEICYFH-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP CC(C)C[C@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459346768 242082336 /nfs/dbraw/zinc/08/23/36/242082336.db2.gz UYOPSPDJEICYFH-OAHLLOKOSA-N 2 2 263.429 3.253 20 0 CGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486327 242123395 /nfs/dbraw/zinc/12/33/95/242123395.db2.gz SNMIRMRRGKROBR-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486327 242123400 /nfs/dbraw/zinc/12/34/00/242123400.db2.gz SNMIRMRRGKROBR-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486327 242123405 /nfs/dbraw/zinc/12/34/05/242123405.db2.gz SNMIRMRRGKROBR-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)[C@H]2C1 ZINC000459486327 242123409 /nfs/dbraw/zinc/12/34/09/242123409.db2.gz SNMIRMRRGKROBR-ROUUACIJSA-N 2 2 270.420 3.090 20 0 CGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000459669569 242171773 /nfs/dbraw/zinc/17/17/73/242171773.db2.gz DMRMGVVPMWQETH-WMLDXEAASA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000459669569 242171779 /nfs/dbraw/zinc/17/17/79/242171779.db2.gz DMRMGVVPMWQETH-WMLDXEAASA-N 2 2 299.418 3.126 20 0 CGADLP Cc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000459677787 242175823 /nfs/dbraw/zinc/17/58/23/242175823.db2.gz QHKPQBBAIRIESX-GFCCVEGCSA-N 2 2 296.374 3.328 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc2ccccc2n1 ZINC000335498654 212178414 /nfs/dbraw/zinc/17/84/14/212178414.db2.gz SGEXULRNKVKXFV-HIFRSBDPSA-N 2 2 269.392 3.028 20 0 CGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000482890291 243250112 /nfs/dbraw/zinc/25/01/12/243250112.db2.gz RFTMVOFDCLLRAV-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000482890291 243250115 /nfs/dbraw/zinc/25/01/15/243250115.db2.gz RFTMVOFDCLLRAV-ROUUACIJSA-N 2 2 294.483 3.046 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000335482729 212156398 /nfs/dbraw/zinc/15/63/98/212156398.db2.gz WJQHACZHZDYKAJ-CQSZACIVSA-N 2 2 299.393 3.296 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)C[NH+]1CCCC1 ZINC000125217693 370933044 /nfs/dbraw/zinc/93/30/44/370933044.db2.gz NARAMUZJBGLYLH-LBPRGKRZSA-N 2 2 284.806 3.301 20 0 CGADLP c1cc(C[NH+]2CCC([NH2+]C3CCCCCC3)CC2)ccn1 ZINC000024887368 368837860 /nfs/dbraw/zinc/83/78/60/368837860.db2.gz ZXUHPLXGXUAUMI-UHFFFAOYSA-N 2 2 287.451 3.358 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000019942932 368787748 /nfs/dbraw/zinc/78/77/48/368787748.db2.gz RPSKUXITYVHYJB-GFCCVEGCSA-N 2 2 270.367 3.347 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1F ZINC000019942952 368787942 /nfs/dbraw/zinc/78/79/42/368787942.db2.gz ZMQVLDWIZYCFKV-CYBMUJFWSA-N 2 2 252.377 3.208 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000019960485 368790920 /nfs/dbraw/zinc/79/09/20/368790920.db2.gz ZTDCCQVWGYFUFB-CABCVRRESA-N 2 2 276.424 3.220 20 0 CGADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000019960485 368790923 /nfs/dbraw/zinc/79/09/23/368790923.db2.gz ZTDCCQVWGYFUFB-CABCVRRESA-N 2 2 276.424 3.220 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019960766 368791133 /nfs/dbraw/zinc/79/11/33/368791133.db2.gz YMOBZXLPPVDXAC-DOTOQJQBSA-N 2 2 260.425 3.438 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019960766 368791138 /nfs/dbraw/zinc/79/11/38/368791138.db2.gz YMOBZXLPPVDXAC-DOTOQJQBSA-N 2 2 260.425 3.438 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000035451843 369002355 /nfs/dbraw/zinc/00/23/55/369002355.db2.gz NGGKWTGCGJWWFO-LSDHHAIUSA-N 2 2 266.429 3.167 20 0 CGADLP Cc1ccc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000036845726 369033133 /nfs/dbraw/zinc/03/31/33/369033133.db2.gz UORNFZRMQKJVPZ-UHFFFAOYSA-N 2 2 269.392 3.117 20 0 CGADLP Cc1nc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000036915372 369038920 /nfs/dbraw/zinc/03/89/20/369038920.db2.gz WBAATMPPVGOGJJ-JTQLQIEISA-N 2 2 281.469 3.411 20 0 CGADLP Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000036932150 369039622 /nfs/dbraw/zinc/03/96/22/369039622.db2.gz HMYAZIUNBNSRDS-UHFFFAOYSA-N 2 2 281.403 3.149 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000037210965 369075714 /nfs/dbraw/zinc/07/57/14/369075714.db2.gz OVXSBJHHBPLGEW-CYBMUJFWSA-N 2 2 282.403 3.217 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000037786536 369113341 /nfs/dbraw/zinc/11/33/41/369113341.db2.gz NBUZNQPMVOLODQ-UHFFFAOYSA-N 2 2 282.378 3.317 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000040502244 369158217 /nfs/dbraw/zinc/15/82/17/369158217.db2.gz AWKZZSQIINAWMA-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000040502244 369158221 /nfs/dbraw/zinc/15/82/21/369158221.db2.gz AWKZZSQIINAWMA-HZPDHXFCSA-N 2 2 264.388 3.351 20 0 CGADLP c1cn(CC[NH2+]C2CCC(c3ccccc3)CC2)c[nH+]1 ZINC000041063686 369170398 /nfs/dbraw/zinc/17/03/98/369170398.db2.gz NTDJTKOOKHTCFN-UHFFFAOYSA-N 2 2 269.392 3.199 20 0 CGADLP c1cn(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000041063292 369170743 /nfs/dbraw/zinc/17/07/43/369170743.db2.gz IOESIRCHWZUYHT-UHFFFAOYSA-N 2 2 277.371 3.340 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423358684 299397373 /nfs/dbraw/zinc/39/73/73/299397373.db2.gz JRZVITKBOSUTSR-UHIISALHSA-N 2 2 286.341 3.354 20 0 CGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684060 369266090 /nfs/dbraw/zinc/26/60/90/369266090.db2.gz RNIFIJNKWWRTOM-YJBOKZPZSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684060 369266098 /nfs/dbraw/zinc/26/60/98/369266098.db2.gz RNIFIJNKWWRTOM-YJBOKZPZSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000044685515 369266937 /nfs/dbraw/zinc/26/69/37/369266937.db2.gz IGMDDZZGCCBGML-AAEUAGOBSA-N 2 2 264.438 3.252 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000044685515 369266942 /nfs/dbraw/zinc/26/69/42/369266942.db2.gz IGMDDZZGCCBGML-AAEUAGOBSA-N 2 2 264.438 3.252 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685505 369268077 /nfs/dbraw/zinc/26/80/77/369268077.db2.gz NIABOPCPBZEBBK-GUYCJALGSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000044685505 369268084 /nfs/dbraw/zinc/26/80/84/369268084.db2.gz NIABOPCPBZEBBK-GUYCJALGSA-N 2 2 270.420 3.063 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494402654 244284838 /nfs/dbraw/zinc/28/48/38/244284838.db2.gz FSOUNXXSLCHNNV-DOTOQJQBSA-N 2 2 283.419 3.056 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc3ccccc3c1)CC2 ZINC000494391146 244285994 /nfs/dbraw/zinc/28/59/94/244285994.db2.gz JDYCJVXLPFLPQZ-QGZVFWFLSA-N 2 2 277.371 3.141 20 0 CGADLP CCC[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000494439835 244290058 /nfs/dbraw/zinc/29/00/58/244290058.db2.gz VTCTYHGXUYYPDK-SJORKVTESA-N 2 2 283.419 3.371 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495016073 244347675 /nfs/dbraw/zinc/34/76/75/244347675.db2.gz GXFNHMYISPMXGZ-BZUAXINKSA-N 2 2 291.439 3.184 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495016073 244347677 /nfs/dbraw/zinc/34/76/77/244347677.db2.gz GXFNHMYISPMXGZ-BZUAXINKSA-N 2 2 291.439 3.184 20 0 CGADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000049574575 369410536 /nfs/dbraw/zinc/41/05/36/369410536.db2.gz AOKDAXNCPJPIEM-MRXNPFEDSA-N 2 2 264.388 3.352 20 0 CGADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051952991 369458825 /nfs/dbraw/zinc/45/88/25/369458825.db2.gz AOYNORCWTGQUHW-SJLPKXTDSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H](C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286595 193271158 /nfs/dbraw/zinc/27/11/58/193271158.db2.gz SLPQSRFHAHAMQJ-CKEIUWERSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286595 193271160 /nfs/dbraw/zinc/27/11/60/193271160.db2.gz SLPQSRFHAHAMQJ-CKEIUWERSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286595 193271162 /nfs/dbraw/zinc/27/11/62/193271162.db2.gz SLPQSRFHAHAMQJ-CKEIUWERSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@H](C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1cccc(Cl)c1 ZINC000276286595 193271164 /nfs/dbraw/zinc/27/11/64/193271164.db2.gz SLPQSRFHAHAMQJ-CKEIUWERSA-N 2 2 292.854 3.470 20 0 CGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)s1)Cn1cc[nH+]c1 ZINC000067500579 369719042 /nfs/dbraw/zinc/71/90/42/369719042.db2.gz DKDYVOSIZJLURM-JTQLQIEISA-N 2 2 269.801 3.024 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000069710348 369768468 /nfs/dbraw/zinc/76/84/68/369768468.db2.gz SBGGSLUAUDEMPF-UHFFFAOYSA-N 2 2 284.403 3.342 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422764435 296150256 /nfs/dbraw/zinc/15/02/56/296150256.db2.gz POLXSMNPUZFFDO-BDAKNGLRSA-N 2 2 273.207 3.252 20 0 CGADLP Cn1c(CCC[NH2+]Cc2cccc(O)c2)[nH+]c2ccccc21 ZINC000076262696 369935729 /nfs/dbraw/zinc/93/57/29/369935729.db2.gz DSYXLQASGWGBPC-UHFFFAOYSA-N 2 2 295.386 3.001 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC000076897702 369944270 /nfs/dbraw/zinc/94/42/70/369944270.db2.gz KQQOORDIKCYPCR-INIZCTEOSA-N 2 2 298.430 3.040 20 0 CGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660112 370152953 /nfs/dbraw/zinc/15/29/53/370152953.db2.gz PGQSFOUQMSFFCG-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660112 370152960 /nfs/dbraw/zinc/15/29/60/370152960.db2.gz PGQSFOUQMSFFCG-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660112 370152965 /nfs/dbraw/zinc/15/29/65/370152965.db2.gz PGQSFOUQMSFFCG-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1C(C)(C)C ZINC000093660112 370152975 /nfs/dbraw/zinc/15/29/75/370152975.db2.gz PGQSFOUQMSFFCG-OAHLLOKOSA-N 2 2 292.471 3.013 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770776 370158583 /nfs/dbraw/zinc/15/85/83/370158583.db2.gz JIIYSAUZLQBYHX-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770776 370158586 /nfs/dbraw/zinc/15/85/86/370158586.db2.gz JIIYSAUZLQBYHX-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770776 370158589 /nfs/dbraw/zinc/15/85/89/370158589.db2.gz JIIYSAUZLQBYHX-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093770776 370158593 /nfs/dbraw/zinc/15/85/93/370158593.db2.gz JIIYSAUZLQBYHX-CQSZACIVSA-N 2 2 295.496 3.115 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c1 ZINC000097927650 370257328 /nfs/dbraw/zinc/25/73/28/370257328.db2.gz MPWWGFUKAHENBZ-MRXNPFEDSA-N 2 2 274.452 3.390 20 0 CGADLP CC1(C)CC([NH2+]Cc2csc(C3CC3)n2)CC(C)(C)[NH2+]1 ZINC000113314598 370471971 /nfs/dbraw/zinc/47/19/71/370471971.db2.gz QXEKGTNEUCAOQE-UHFFFAOYSA-N 2 2 293.480 3.419 20 0 CGADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCCC1 ZINC000474604309 296159795 /nfs/dbraw/zinc/15/97/95/296159795.db2.gz HGUXCZXRCPEWJF-CRAIPNDOSA-N 2 2 274.452 3.328 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843660 370628181 /nfs/dbraw/zinc/62/81/81/370628181.db2.gz ADRKKVPNEIKYQB-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843660 370628186 /nfs/dbraw/zinc/62/81/86/370628186.db2.gz ADRKKVPNEIKYQB-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843660 370628190 /nfs/dbraw/zinc/62/81/90/370628190.db2.gz ADRKKVPNEIKYQB-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843660 370628197 /nfs/dbraw/zinc/62/81/97/370628197.db2.gz ADRKKVPNEIKYQB-CYBMUJFWSA-N 2 2 296.842 3.122 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000129608470 370994495 /nfs/dbraw/zinc/99/44/95/370994495.db2.gz RZLDIZAENGXBST-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1F ZINC000129608470 370994500 /nfs/dbraw/zinc/99/45/00/370994500.db2.gz RZLDIZAENGXBST-NTZNESFSSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000131534835 371114022 /nfs/dbraw/zinc/11/40/22/371114022.db2.gz ZWVYNVKZTFVVHX-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(Cl)cccc1Cl ZINC000131534835 371114027 /nfs/dbraw/zinc/11/40/27/371114027.db2.gz ZWVYNVKZTFVVHX-VHSXEESVSA-N 2 2 273.207 3.163 20 0 CGADLP Cc1cc(NC2CCC([NH+]3CCC(C)CC3)CC2)nc[nH+]1 ZINC000132167479 371155800 /nfs/dbraw/zinc/15/58/00/371155800.db2.gz VZLWOFWFYSCMIB-UHFFFAOYSA-N 2 2 288.439 3.240 20 0 CGADLP CCSCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132264019 371162758 /nfs/dbraw/zinc/16/27/58/371162758.db2.gz WBYYOCCFSQOAAB-AWEZNQCLSA-N 2 2 293.480 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1c(F)cccc1F ZINC000133787695 371278588 /nfs/dbraw/zinc/27/85/88/371278588.db2.gz RXMQHKLDDBQROO-SRVKXCTJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cccc1F ZINC000133787695 371278591 /nfs/dbraw/zinc/27/85/91/371278591.db2.gz RXMQHKLDDBQROO-SRVKXCTJSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1c(F)cccc1F ZINC000133787085 371278486 /nfs/dbraw/zinc/27/84/86/371278486.db2.gz RXMQHKLDDBQROO-GRYCIOLGSA-N 2 2 268.351 3.098 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cccc1F ZINC000133787085 371278489 /nfs/dbraw/zinc/27/84/89/371278489.db2.gz RXMQHKLDDBQROO-GRYCIOLGSA-N 2 2 268.351 3.098 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000331946025 204324607 /nfs/dbraw/zinc/32/46/07/204324607.db2.gz NVOBGXMRSREEGO-ZIAGYGMSSA-N 2 2 279.453 3.160 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135111938 371391285 /nfs/dbraw/zinc/39/12/85/371391285.db2.gz WIQRVSAZYOHVOY-BFHYXJOUSA-N 2 2 292.398 3.112 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135111938 371391287 /nfs/dbraw/zinc/39/12/87/371391287.db2.gz WIQRVSAZYOHVOY-BFHYXJOUSA-N 2 2 292.398 3.112 20 0 CGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151120210 371571807 /nfs/dbraw/zinc/57/18/07/371571807.db2.gz XSCXRVNRJMUUFP-INIZCTEOSA-N 2 2 285.391 3.085 20 0 CGADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc(C)c1F ZINC000151160635 371577810 /nfs/dbraw/zinc/57/78/10/371577810.db2.gz QGSYXFXCOXTZHT-AWEZNQCLSA-N 2 2 275.371 3.380 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000151473342 371603958 /nfs/dbraw/zinc/60/39/58/371603958.db2.gz AHIYTENSVCRHJR-CYBMUJFWSA-N 2 2 298.415 3.488 20 0 CGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353309727 220021839 /nfs/dbraw/zinc/02/18/39/220021839.db2.gz DPUXKWWKAYGPOW-DYVFJYSZSA-N 2 2 299.418 3.292 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000152568368 371705414 /nfs/dbraw/zinc/70/54/14/371705414.db2.gz DITXYYQEBCPGNN-PMPSAXMXSA-N 2 2 294.439 3.066 20 0 CGADLP CC(C)COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000152568368 371705419 /nfs/dbraw/zinc/70/54/19/371705419.db2.gz DITXYYQEBCPGNN-PMPSAXMXSA-N 2 2 294.439 3.066 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152733455 371720183 /nfs/dbraw/zinc/72/01/83/371720183.db2.gz UIPWXPZLKKZEDL-KRWDZBQOSA-N 2 2 299.393 3.178 20 0 CGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152809676 371725257 /nfs/dbraw/zinc/72/52/57/371725257.db2.gz UCMWNCITSJCESE-AWEZNQCLSA-N 2 2 299.418 3.121 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337348719 214023181 /nfs/dbraw/zinc/02/31/81/214023181.db2.gz ZHFQGOJAVRACRP-WMZOPIPTSA-N 2 2 289.467 3.429 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337348719 214023184 /nfs/dbraw/zinc/02/31/84/214023184.db2.gz ZHFQGOJAVRACRP-WMZOPIPTSA-N 2 2 289.467 3.429 20 0 CGADLP COc1ccc([C@H]([NH2+]CC(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422706036 371760115 /nfs/dbraw/zinc/76/01/15/371760115.db2.gz SRICFYJDSJWGLU-CVEARBPZSA-N 2 2 276.424 3.124 20 0 CGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1sccc1OC ZINC000289573039 371763667 /nfs/dbraw/zinc/76/36/67/371763667.db2.gz ZUTSAFHDEIKCDA-UHFFFAOYSA-N 2 2 282.453 3.065 20 0 CGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1sccc1OC ZINC000289573039 371763672 /nfs/dbraw/zinc/76/36/72/371763672.db2.gz ZUTSAFHDEIKCDA-UHFFFAOYSA-N 2 2 282.453 3.065 20 0 CGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422775862 371798714 /nfs/dbraw/zinc/79/87/14/371798714.db2.gz BOIRQZKJQRZWBY-KBPBESRZSA-N 2 2 270.779 3.229 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786944 371807881 /nfs/dbraw/zinc/80/78/81/371807881.db2.gz PIRYRUPROZBWDK-APHBMKBZSA-N 2 2 296.842 3.148 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000344055479 217030729 /nfs/dbraw/zinc/03/07/29/217030729.db2.gz JLWMGYCAVPKCDT-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](C4CC4)C3)cc2)c[nH+]1 ZINC000344055479 217030732 /nfs/dbraw/zinc/03/07/32/217030732.db2.gz JLWMGYCAVPKCDT-QGZVFWFLSA-N 2 2 281.403 3.494 20 0 CGADLP CCc1noc(CC)c1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863955 371844771 /nfs/dbraw/zinc/84/47/71/371844771.db2.gz MEFJLRVUHJTXFV-ZBFHGGJFSA-N 2 2 285.391 3.034 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154521652 371852792 /nfs/dbraw/zinc/85/27/92/371852792.db2.gz JURBGAMGQSEGEF-VXGBXAGGSA-N 2 2 286.872 3.406 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154521652 371852798 /nfs/dbraw/zinc/85/27/98/371852798.db2.gz JURBGAMGQSEGEF-VXGBXAGGSA-N 2 2 286.872 3.406 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154534522 371853041 /nfs/dbraw/zinc/85/30/41/371853041.db2.gz BLKXFKZWDHYHSC-YPMHNXCESA-N 2 2 281.469 3.320 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154534522 371853046 /nfs/dbraw/zinc/85/30/46/371853046.db2.gz BLKXFKZWDHYHSC-YPMHNXCESA-N 2 2 281.469 3.320 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000289952166 371860662 /nfs/dbraw/zinc/86/06/62/371860662.db2.gz AXJJFMRLHRNVCS-MRXNPFEDSA-N 2 2 290.451 3.101 20 0 CGADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422899149 371861718 /nfs/dbraw/zinc/86/17/18/371861718.db2.gz GVLXPLADDZGMIR-KGLIPLIRSA-N 2 2 286.341 3.354 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422927165 371876309 /nfs/dbraw/zinc/87/63/09/371876309.db2.gz FVQWDQQWNWELRJ-KFWWJZLASA-N 2 2 276.449 3.344 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423054030 371937514 /nfs/dbraw/zinc/93/75/14/371937514.db2.gz UBIFDQHCCFNDJP-BXUZGUMPSA-N 2 2 268.351 3.244 20 0 CGADLP CCc1c[nH+]ccc1[C@H](C)[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422990026 371905939 /nfs/dbraw/zinc/90/59/39/371905939.db2.gz BJAHOVNKUCEZQD-XDKFSHSGSA-N 2 2 288.435 3.152 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(F)(F)F ZINC000155267727 371918847 /nfs/dbraw/zinc/91/88/47/371918847.db2.gz GMMUQGPVFCMXPA-OLZOCXBDSA-N 2 2 278.362 3.278 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(F)(F)F ZINC000155267727 371918849 /nfs/dbraw/zinc/91/88/49/371918849.db2.gz GMMUQGPVFCMXPA-OLZOCXBDSA-N 2 2 278.362 3.278 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(F)(F)F ZINC000155267727 371918854 /nfs/dbraw/zinc/91/88/54/371918854.db2.gz GMMUQGPVFCMXPA-OLZOCXBDSA-N 2 2 278.362 3.278 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(F)(F)F ZINC000155267727 371918859 /nfs/dbraw/zinc/91/88/59/371918859.db2.gz GMMUQGPVFCMXPA-OLZOCXBDSA-N 2 2 278.362 3.278 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000290184997 371926711 /nfs/dbraw/zinc/92/67/11/371926711.db2.gz ZMNYKAAIBMBNFI-ZIAGYGMSSA-N 2 2 264.438 3.148 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092678 371958956 /nfs/dbraw/zinc/95/89/56/371958956.db2.gz CXYDCNFCUBKROM-WVYASWFKSA-N 2 2 296.817 3.255 20 0 CGADLP CSc1cccc(F)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423110799 371973042 /nfs/dbraw/zinc/97/30/42/371973042.db2.gz VFKDCYHAVROUFV-JTQLQIEISA-N 2 2 291.395 3.206 20 0 CGADLP Cc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156325680 371975287 /nfs/dbraw/zinc/97/52/87/371975287.db2.gz ZRLWUBKEVICFMS-GOSISDBHSA-N 2 2 282.387 3.086 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]CCSCC(C)C ZINC000290406323 371983327 /nfs/dbraw/zinc/98/33/27/371983327.db2.gz PVJXHQLWHMUPAL-UHFFFAOYSA-N 2 2 266.454 3.301 20 0 CGADLP CCCc1nc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000423139403 371986949 /nfs/dbraw/zinc/98/69/49/371986949.db2.gz ZTBFFJKLWZRIKV-HUUCEWRRSA-N 2 2 285.391 3.170 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423151868 371994600 /nfs/dbraw/zinc/99/46/00/371994600.db2.gz DCGFDNSCWFTOAK-BFJAYTPKSA-N 2 2 274.408 3.019 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344147400 217073803 /nfs/dbraw/zinc/07/38/03/217073803.db2.gz WXSXFFGCCGVQMK-BLLLJJGKSA-N 2 2 273.355 3.078 20 0 CGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423083641 371951774 /nfs/dbraw/zinc/95/17/74/371951774.db2.gz ZDQIWBZFTPBTSG-SUMWQHHRSA-N 2 2 258.409 3.042 20 0 CGADLP COc1ccc([C@H]([NH2+]CCC2(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423083678 371954171 /nfs/dbraw/zinc/95/41/71/371954171.db2.gz GGBLWOBFMVEWNG-SJORKVTESA-N 2 2 288.435 3.268 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC000423196045 372021060 /nfs/dbraw/zinc/02/10/60/372021060.db2.gz UOCHMEQJFFPRPP-DLBZAZTESA-N 2 2 276.399 3.399 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cs1 ZINC000423198423 372022897 /nfs/dbraw/zinc/02/28/97/372022897.db2.gz FUPLSFFQMNIDFO-NSHDSACASA-N 2 2 267.442 3.154 20 0 CGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423201930 372026888 /nfs/dbraw/zinc/02/68/88/372026888.db2.gz JRDDKYPWYQMFOI-CHWSQXEVSA-N 2 2 284.856 3.162 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000423201712 372027067 /nfs/dbraw/zinc/02/70/67/372027067.db2.gz JDJKXJFZJHJZKF-GXFFZTMASA-N 2 2 273.207 3.396 20 0 CGADLP [NH3+][C@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)c2ccccc21 ZINC000423212317 372034311 /nfs/dbraw/zinc/03/43/11/372034311.db2.gz IBZVZRCKRWNFOP-RDJZCZTQSA-N 2 2 265.360 3.211 20 0 CGADLP CC(C)(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000423212796 372034550 /nfs/dbraw/zinc/03/45/50/372034550.db2.gz KABXQMSFZUKCHK-XJKSGUPXSA-N 2 2 272.392 3.472 20 0 CGADLP c1cc(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc2c1[NH2+]CC2 ZINC000423214972 372035461 /nfs/dbraw/zinc/03/54/61/372035461.db2.gz MDAVXEIYENHKDO-KBAYOESNSA-N 2 2 285.435 3.377 20 0 CGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000423222276 372040450 /nfs/dbraw/zinc/04/04/50/372040450.db2.gz ALMHBYHQJNSKPV-OAHLLOKOSA-N 2 2 284.403 3.136 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000344172092 217085683 /nfs/dbraw/zinc/08/56/83/217085683.db2.gz OGIWOFOQVCYSFA-HNNXBMFYSA-N 2 2 296.499 3.434 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423363655 372056468 /nfs/dbraw/zinc/05/64/68/372056468.db2.gz ARZAHUKHZRDTHG-XOUADPBQSA-N 2 2 258.409 3.273 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423376558 372056798 /nfs/dbraw/zinc/05/67/98/372056798.db2.gz JMNQCHRYYPSJCO-XYPHTWIQSA-N 2 2 260.425 3.459 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000290512854 372005971 /nfs/dbraw/zinc/00/59/71/372005971.db2.gz PRFPINJIEIQJFU-UHFFFAOYSA-N 2 2 297.324 3.131 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)c(F)cc1F ZINC000290512854 372005980 /nfs/dbraw/zinc/00/59/80/372005980.db2.gz PRFPINJIEIQJFU-UHFFFAOYSA-N 2 2 297.324 3.131 20 0 CGADLP C[C@H]([NH2+]CC[NH3+])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423186313 372012599 /nfs/dbraw/zinc/01/25/99/372012599.db2.gz OHLHQQQNJQURPJ-ZDUSSCGKSA-N 2 2 288.366 3.014 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423184356 372013365 /nfs/dbraw/zinc/01/33/65/372013365.db2.gz ILCWFLYGDFADPL-JQWIXIFHSA-N 2 2 281.469 3.152 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000290547036 372014228 /nfs/dbraw/zinc/01/42/28/372014228.db2.gz RPDRNAKIACPMLW-HNNXBMFYSA-N 2 2 289.398 3.365 20 0 CGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290547036 372014234 /nfs/dbraw/zinc/01/42/34/372014234.db2.gz RPDRNAKIACPMLW-HNNXBMFYSA-N 2 2 289.398 3.365 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)C1CCCC1 ZINC000423496674 372070125 /nfs/dbraw/zinc/07/01/25/372070125.db2.gz FGRHZOYOOCGYLD-STQMWFEESA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000291003741 372092685 /nfs/dbraw/zinc/09/26/85/372092685.db2.gz BCMYJXPCCXARPD-ZDUSSCGKSA-N 2 2 268.351 3.300 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000291003741 372092691 /nfs/dbraw/zinc/09/26/91/372092691.db2.gz BCMYJXPCCXARPD-ZDUSSCGKSA-N 2 2 268.351 3.300 20 0 CGADLP CC(C)c1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158986056 372096387 /nfs/dbraw/zinc/09/63/87/372096387.db2.gz VTXWIVXOJMDMKM-HIFRSBDPSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000158986056 372096393 /nfs/dbraw/zinc/09/63/93/372096393.db2.gz VTXWIVXOJMDMKM-HIFRSBDPSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158986056 372096398 /nfs/dbraw/zinc/09/63/98/372096398.db2.gz VTXWIVXOJMDMKM-HIFRSBDPSA-N 2 2 293.480 3.183 20 0 CGADLP CC(C)c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000158986056 372096403 /nfs/dbraw/zinc/09/64/03/372096403.db2.gz VTXWIVXOJMDMKM-HIFRSBDPSA-N 2 2 293.480 3.183 20 0 CGADLP c1cn2c(cccc2C[NH+](C2CCC2)C2CCC2)[nH+]1 ZINC000292778578 372207998 /nfs/dbraw/zinc/20/79/98/372207998.db2.gz LCMVUDGQPLNKOY-UHFFFAOYSA-N 2 2 255.365 3.241 20 0 CGADLP Cc1ccoc1C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000292844449 372223606 /nfs/dbraw/zinc/22/36/06/372223606.db2.gz SKZYVMDFKFPREK-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP Cc1ccoc1C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000292844449 372223611 /nfs/dbraw/zinc/22/36/11/372223611.db2.gz SKZYVMDFKFPREK-UHFFFAOYSA-N 2 2 258.365 3.356 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401449 372191784 /nfs/dbraw/zinc/19/17/84/372191784.db2.gz MYXYQPSZHXXGKV-ZFWWWQNUSA-N 2 2 293.455 3.269 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401449 372191786 /nfs/dbraw/zinc/19/17/86/372191786.db2.gz MYXYQPSZHXXGKV-ZFWWWQNUSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401449 372191789 /nfs/dbraw/zinc/19/17/89/372191789.db2.gz MYXYQPSZHXXGKV-ZFWWWQNUSA-N 2 2 293.455 3.269 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428401449 372191791 /nfs/dbraw/zinc/19/17/91/372191791.db2.gz MYXYQPSZHXXGKV-ZFWWWQNUSA-N 2 2 293.455 3.269 20 0 CGADLP Cc1ccccc1C(C)(C)[NH2+]CCCn1cc[nH+]c1 ZINC000293157819 372314446 /nfs/dbraw/zinc/31/44/46/372314446.db2.gz VLGHSLSKCFIHPD-UHFFFAOYSA-N 2 2 257.381 3.107 20 0 CGADLP CCC[NH2+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000161349182 372317924 /nfs/dbraw/zinc/31/79/24/372317924.db2.gz LSFNGWMKHOFZCC-UHFFFAOYSA-N 2 2 261.196 3.083 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(O)c1Cl ZINC000293216544 372328926 /nfs/dbraw/zinc/32/89/26/372328926.db2.gz JRMVCQFNEIJHND-UHFFFAOYSA-N 2 2 276.767 3.081 20 0 CGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000161664228 372344088 /nfs/dbraw/zinc/34/40/88/372344088.db2.gz IVXAOSPXBNWOSF-HNNXBMFYSA-N 2 2 299.418 3.192 20 0 CGADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000161664228 372344094 /nfs/dbraw/zinc/34/40/94/372344094.db2.gz IVXAOSPXBNWOSF-HNNXBMFYSA-N 2 2 299.418 3.192 20 0 CGADLP CCc1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293398941 372374099 /nfs/dbraw/zinc/37/40/99/372374099.db2.gz RCACFPBCONPEHK-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000293398941 372374103 /nfs/dbraw/zinc/37/41/03/372374103.db2.gz RCACFPBCONPEHK-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000162256193 372383736 /nfs/dbraw/zinc/38/37/36/372383736.db2.gz LMPZTHGXYZZMDB-KRWDZBQOSA-N 2 2 271.408 3.369 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429425379 372364721 /nfs/dbraw/zinc/36/47/21/372364721.db2.gz DTUBAMQZFRZWRE-KBAYOESNSA-N 2 2 299.462 3.214 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429425379 372364730 /nfs/dbraw/zinc/36/47/30/372364730.db2.gz DTUBAMQZFRZWRE-KBAYOESNSA-N 2 2 299.462 3.214 20 0 CGADLP CC1(C)C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C(C)(C)O1 ZINC000162909419 372432987 /nfs/dbraw/zinc/43/29/87/372432987.db2.gz FVZDRVXRBNVIQA-AWEZNQCLSA-N 2 2 291.439 3.209 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000163289762 372460253 /nfs/dbraw/zinc/46/02/53/372460253.db2.gz AXGOORISAFHMDC-MAUKXSAKSA-N 2 2 290.451 3.010 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)cc1 ZINC000163289762 372460254 /nfs/dbraw/zinc/46/02/54/372460254.db2.gz AXGOORISAFHMDC-MAUKXSAKSA-N 2 2 290.451 3.010 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+](Cc2ccccc2)C1 ZINC000344459840 217198464 /nfs/dbraw/zinc/19/84/64/217198464.db2.gz ICXCQZZYGUYTIC-AEFFLSMTSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+](Cc2ccccc2)C1 ZINC000344459840 217198466 /nfs/dbraw/zinc/19/84/66/217198466.db2.gz ICXCQZZYGUYTIC-AEFFLSMTSA-N 2 2 298.430 3.322 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166382911 372571743 /nfs/dbraw/zinc/57/17/43/372571743.db2.gz KEYPZJBZEOVMHD-IPYPFGDCSA-N 2 2 292.471 3.080 20 0 CGADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166382911 372571746 /nfs/dbraw/zinc/57/17/46/372571746.db2.gz KEYPZJBZEOVMHD-IPYPFGDCSA-N 2 2 292.471 3.080 20 0 CGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C(C)C ZINC000167871780 372603760 /nfs/dbraw/zinc/60/37/60/372603760.db2.gz ITFPIQCIKRSVLW-WBVHZDCISA-N 2 2 292.467 3.376 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000428235483 284340097 /nfs/dbraw/zinc/34/00/97/284340097.db2.gz HGTFGOFKQUIESY-MRXNPFEDSA-N 2 2 274.452 3.428 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000428235483 284340098 /nfs/dbraw/zinc/34/00/98/284340098.db2.gz HGTFGOFKQUIESY-MRXNPFEDSA-N 2 2 274.452 3.428 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434789727 372711272 /nfs/dbraw/zinc/71/12/72/372711272.db2.gz NOZIMYZHEGXEOB-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP C([NH2+]C1CCCCCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434789727 372711281 /nfs/dbraw/zinc/71/12/81/372711281.db2.gz NOZIMYZHEGXEOB-INIZCTEOSA-N 2 2 250.430 3.316 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435228657 372740679 /nfs/dbraw/zinc/74/06/79/372740679.db2.gz BSJYPBWJLFMXJV-QGZVFWFLSA-N 2 2 296.414 3.045 20 0 CGADLP c1ccc2c(c1)cccc2OCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435228657 372740684 /nfs/dbraw/zinc/74/06/84/372740684.db2.gz BSJYPBWJLFMXJV-QGZVFWFLSA-N 2 2 296.414 3.045 20 0 CGADLP CC[N@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435390461 372757716 /nfs/dbraw/zinc/75/77/16/372757716.db2.gz BDPLZMMZWIKREX-KRWDZBQOSA-N 2 2 299.418 3.306 20 0 CGADLP CC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435390461 372757720 /nfs/dbraw/zinc/75/77/20/372757720.db2.gz BDPLZMMZWIKREX-KRWDZBQOSA-N 2 2 299.418 3.306 20 0 CGADLP C[NH2+]CCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000435870804 372821589 /nfs/dbraw/zinc/82/15/89/372821589.db2.gz HOKUFNNKFXKGKC-UHFFFAOYSA-N 2 2 286.394 3.437 20 0 CGADLP C[NH2+]CCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000435870804 372821592 /nfs/dbraw/zinc/82/15/92/372821592.db2.gz HOKUFNNKFXKGKC-UHFFFAOYSA-N 2 2 286.394 3.437 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858239 284348479 /nfs/dbraw/zinc/34/84/79/284348479.db2.gz NQAHFYZRPHQULG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858239 284348480 /nfs/dbraw/zinc/34/84/80/284348480.db2.gz NQAHFYZRPHQULG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858239 284348481 /nfs/dbraw/zinc/34/84/81/284348481.db2.gz NQAHFYZRPHQULG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000072858239 284348483 /nfs/dbraw/zinc/34/84/83/284348483.db2.gz NQAHFYZRPHQULG-STQMWFEESA-N 2 2 282.378 3.299 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000437101711 372845790 /nfs/dbraw/zinc/84/57/90/372845790.db2.gz ZMLRSCVUWPCKCX-MDZLAQPJSA-N 2 2 278.362 3.178 20 0 CGADLP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000437101711 372845796 /nfs/dbraw/zinc/84/57/96/372845796.db2.gz ZMLRSCVUWPCKCX-MDZLAQPJSA-N 2 2 278.362 3.178 20 0 CGADLP CC[C@@H](C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171950269 372866835 /nfs/dbraw/zinc/86/68/35/372866835.db2.gz HOBHEGAWSDDNBO-CQSZACIVSA-N 2 2 257.381 3.350 20 0 CGADLP CC[C@@H](C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171950269 372866847 /nfs/dbraw/zinc/86/68/47/372866847.db2.gz HOBHEGAWSDDNBO-CQSZACIVSA-N 2 2 257.381 3.350 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000438082115 372872162 /nfs/dbraw/zinc/87/21/62/372872162.db2.gz AUBYENNPWUHYOC-FUHWJXTLSA-N 2 2 274.452 3.427 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000438082126 372872218 /nfs/dbraw/zinc/87/22/18/372872218.db2.gz AVGSRJGIGYRUAB-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000438082126 372872220 /nfs/dbraw/zinc/87/22/20/372872220.db2.gz AVGSRJGIGYRUAB-LSDHHAIUSA-N 2 2 278.415 3.221 20 0 CGADLP Fc1cccc2[nH]c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc21 ZINC000438119896 372893983 /nfs/dbraw/zinc/89/39/83/372893983.db2.gz UUBUEEBDCGDJOR-UHFFFAOYSA-N 2 2 298.365 3.410 20 0 CGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C2CCC2)CC1 ZINC000295930601 372962334 /nfs/dbraw/zinc/96/23/34/372962334.db2.gz HEFPZEFIRRQXKD-UHFFFAOYSA-N 2 2 284.407 3.002 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708913 373066715 /nfs/dbraw/zinc/06/67/15/373066715.db2.gz MFYYOVCRKDEOGU-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442708913 373066720 /nfs/dbraw/zinc/06/67/20/373066720.db2.gz MFYYOVCRKDEOGU-LSDHHAIUSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000173315370 373125482 /nfs/dbraw/zinc/12/54/82/373125482.db2.gz IBBZKOKCLHQDEH-CQSZACIVSA-N 2 2 278.359 3.118 20 0 CGADLP Cc1cncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000442902706 373125831 /nfs/dbraw/zinc/12/58/31/373125831.db2.gz RFTFTEIUXGCOOV-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP FC(F)(F)C1=CC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444607742 373210944 /nfs/dbraw/zinc/21/09/44/373210944.db2.gz JROBSQGNNAGWBK-UHFFFAOYSA-N 2 2 276.346 3.057 20 0 CGADLP FC(F)(F)C1=CC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000444607742 373210954 /nfs/dbraw/zinc/21/09/54/373210954.db2.gz JROBSQGNNAGWBK-UHFFFAOYSA-N 2 2 276.346 3.057 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000353588248 220173222 /nfs/dbraw/zinc/17/32/22/220173222.db2.gz CTZIQJXMDDBZTJ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000353588248 220173225 /nfs/dbraw/zinc/17/32/25/220173225.db2.gz CTZIQJXMDDBZTJ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000353588248 220173228 /nfs/dbraw/zinc/17/32/28/220173228.db2.gz CTZIQJXMDDBZTJ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000353588248 220173230 /nfs/dbraw/zinc/17/32/30/220173230.db2.gz CTZIQJXMDDBZTJ-INIZCTEOSA-N 2 2 278.827 3.176 20 0 CGADLP C[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397421 373307110 /nfs/dbraw/zinc/30/71/10/373307110.db2.gz FBTHZRQPWRKANY-SFHVURJKSA-N 2 2 295.430 3.036 20 0 CGADLP C[N@H+](Cc1ccccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397421 373307112 /nfs/dbraw/zinc/30/71/12/373307112.db2.gz FBTHZRQPWRKANY-SFHVURJKSA-N 2 2 295.430 3.036 20 0 CGADLP C[NH+](Cc1ccccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174397421 373307114 /nfs/dbraw/zinc/30/71/14/373307114.db2.gz FBTHZRQPWRKANY-SFHVURJKSA-N 2 2 295.430 3.036 20 0 CGADLP C[NH+](Cc1ccccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174397421 373307117 /nfs/dbraw/zinc/30/71/17/373307117.db2.gz FBTHZRQPWRKANY-SFHVURJKSA-N 2 2 295.430 3.036 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CS1 ZINC000446843498 373371853 /nfs/dbraw/zinc/37/18/53/373371853.db2.gz NVOWBVFWRMBCJI-LSDHHAIUSA-N 2 2 284.513 3.228 20 0 CGADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CS1 ZINC000446843498 373371857 /nfs/dbraw/zinc/37/18/57/373371857.db2.gz NVOWBVFWRMBCJI-LSDHHAIUSA-N 2 2 284.513 3.228 20 0 CGADLP CSCC[C@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353627011 220202887 /nfs/dbraw/zinc/20/28/87/220202887.db2.gz RPOIBYSDKYUTJA-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP CSCC[C@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353627011 220202890 /nfs/dbraw/zinc/20/28/90/220202890.db2.gz RPOIBYSDKYUTJA-AWEZNQCLSA-N 2 2 266.454 3.396 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895956 373519335 /nfs/dbraw/zinc/51/93/35/373519335.db2.gz FFWUDLRVBIULSL-DOTOQJQBSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H](C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)CC1CCOCC1 ZINC000447895956 373519339 /nfs/dbraw/zinc/51/93/39/373519339.db2.gz FFWUDLRVBIULSL-DOTOQJQBSA-N 2 2 296.499 3.149 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2c(s1)CCC2 ZINC000345052488 217398286 /nfs/dbraw/zinc/39/82/86/217398286.db2.gz HAZWXSBZYYANNN-ZDUSSCGKSA-N 2 2 293.480 3.158 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000063194585 541888943 /nfs/dbraw/zinc/88/89/43/541888943.db2.gz MLPVFINVCHCDEB-IUODEOHRSA-N 2 2 282.428 3.120 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCSc1ccc(F)cc1 ZINC000063194585 541888946 /nfs/dbraw/zinc/88/89/46/541888946.db2.gz MLPVFINVCHCDEB-IUODEOHRSA-N 2 2 282.428 3.120 20 0 CGADLP CCC[N@H+](CCCc1ccc(C)[nH+]c1)CC(F)F ZINC000353645344 220219410 /nfs/dbraw/zinc/21/94/10/220219410.db2.gz AABGVGBGIAHGKD-UHFFFAOYSA-N 2 2 256.340 3.300 20 0 CGADLP CCC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(F)F ZINC000353645344 220219414 /nfs/dbraw/zinc/21/94/14/220219414.db2.gz AABGVGBGIAHGKD-UHFFFAOYSA-N 2 2 256.340 3.300 20 0 CGADLP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300413655 373631110 /nfs/dbraw/zinc/63/11/10/373631110.db2.gz FDMJIZMSQZMQCK-YCPHGPKFSA-N 2 2 285.391 3.090 20 0 CGADLP c1cn(-c2ccc(C[N@H+](C3CC3)C3CCCC3)cn2)c[nH+]1 ZINC000177020951 373649231 /nfs/dbraw/zinc/64/92/31/373649231.db2.gz DJANVABHVIPCIS-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP c1cn(-c2ccc(C[N@@H+](C3CC3)C3CCCC3)cn2)c[nH+]1 ZINC000177020951 373649238 /nfs/dbraw/zinc/64/92/38/373649238.db2.gz DJANVABHVIPCIS-UHFFFAOYSA-N 2 2 282.391 3.174 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299916163 373615357 /nfs/dbraw/zinc/61/53/57/373615357.db2.gz HCCPDTJPUOMUMN-WMZOPIPTSA-N 2 2 266.388 3.024 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299916163 373615362 /nfs/dbraw/zinc/61/53/62/373615362.db2.gz HCCPDTJPUOMUMN-WMZOPIPTSA-N 2 2 266.388 3.024 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC1)c1cccc(OC)c1 ZINC000177193032 373662707 /nfs/dbraw/zinc/66/27/07/373662707.db2.gz QQNHTZSRIXDFQC-KBXCAEBGSA-N 2 2 290.451 3.466 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000353661783 220234824 /nfs/dbraw/zinc/23/48/24/220234824.db2.gz XKGNTHXAOHUSPM-UKRRQHHQSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000353661783 220234827 /nfs/dbraw/zinc/23/48/27/220234827.db2.gz XKGNTHXAOHUSPM-UKRRQHHQSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353661783 220234829 /nfs/dbraw/zinc/23/48/29/220234829.db2.gz XKGNTHXAOHUSPM-UKRRQHHQSA-N 2 2 278.415 3.303 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353661783 220234832 /nfs/dbraw/zinc/23/48/32/220234832.db2.gz XKGNTHXAOHUSPM-UKRRQHHQSA-N 2 2 278.415 3.303 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000178065930 373739724 /nfs/dbraw/zinc/73/97/24/373739724.db2.gz FKSDEAAFKHXRJI-CABCVRRESA-N 2 2 296.480 3.290 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000301307532 373741568 /nfs/dbraw/zinc/74/15/68/373741568.db2.gz VPZABDLAGHWZIC-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000301307532 373741574 /nfs/dbraw/zinc/74/15/74/373741574.db2.gz VPZABDLAGHWZIC-KRWDZBQOSA-N 2 2 296.418 3.170 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329920 373767192 /nfs/dbraw/zinc/76/71/92/373767192.db2.gz NJKFRARFHMTXMN-LSDHHAIUSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329920 373767201 /nfs/dbraw/zinc/76/72/01/373767201.db2.gz NJKFRARFHMTXMN-LSDHHAIUSA-N 2 2 296.480 3.146 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCC1(F)F ZINC000449495373 373789092 /nfs/dbraw/zinc/78/90/92/373789092.db2.gz OKAQMTKWXVOZLT-CQSZACIVSA-N 2 2 268.351 3.348 20 0 CGADLP COc1cccc2c(N(C)CC3CC[NH+](C)CC3)cc[nH+]c12 ZINC000302551881 373893877 /nfs/dbraw/zinc/89/38/77/373893877.db2.gz QNFZMHVVQRJRGV-UHFFFAOYSA-N 2 2 299.418 3.021 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179831843 373926213 /nfs/dbraw/zinc/92/62/13/373926213.db2.gz QDMUCJBVKNRKPB-UHFFFAOYSA-N 2 2 264.388 3.097 20 0 CGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000302806098 373970018 /nfs/dbraw/zinc/97/00/18/373970018.db2.gz CRQKMOJBXMGXIV-HUUCEWRRSA-N 2 2 269.392 3.350 20 0 CGADLP Cn1c[nH+]cc1CNc1cc(CCc2ccccc2)cc[nH+]1 ZINC000180579589 374024478 /nfs/dbraw/zinc/02/44/78/374024478.db2.gz DPSFHYRDIJJFPN-UHFFFAOYSA-N 2 2 292.386 3.212 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC000309743930 374195159 /nfs/dbraw/zinc/19/51/59/374195159.db2.gz SWHRSFJNAGSMRH-DAYGRLMNSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CCC1 ZINC000309743930 374195166 /nfs/dbraw/zinc/19/51/66/374195166.db2.gz SWHRSFJNAGSMRH-DAYGRLMNSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000309736062 374195441 /nfs/dbraw/zinc/19/54/41/374195441.db2.gz QQJKQBKKYLAMLP-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000309736062 374195449 /nfs/dbraw/zinc/19/54/49/374195449.db2.gz QQJKQBKKYLAMLP-HYVNUMGLSA-N 2 2 272.436 3.428 20 0 CGADLP CC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309768512 374197531 /nfs/dbraw/zinc/19/75/31/374197531.db2.gz AKCNHLLFNBOJCZ-CPBWPMLKSA-N 2 2 258.409 3.038 20 0 CGADLP CC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309768512 374197538 /nfs/dbraw/zinc/19/75/38/374197538.db2.gz AKCNHLLFNBOJCZ-CPBWPMLKSA-N 2 2 258.409 3.038 20 0 CGADLP CC(C)(C)C[NH+](CCn1cc[nH+]c1)CC(C)(C)C ZINC000182079683 374215175 /nfs/dbraw/zinc/21/51/75/374215175.db2.gz CKNCEKDGUFWXRG-UHFFFAOYSA-N 2 2 251.418 3.277 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000310644992 374220705 /nfs/dbraw/zinc/22/07/05/374220705.db2.gz DOWTTWDFNZWLHY-OAHLLOKOSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2ccccc2o1 ZINC000315682047 374330600 /nfs/dbraw/zinc/33/06/00/374330600.db2.gz VTKAAWFFMZHAEQ-GFCCVEGCSA-N 2 2 298.390 3.083 20 0 CGADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000182810063 374331030 /nfs/dbraw/zinc/33/10/30/374331030.db2.gz UCXGWFIVEBODJF-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000182810063 374331032 /nfs/dbraw/zinc/33/10/32/374331032.db2.gz UCXGWFIVEBODJF-PBHICJAKSA-N 2 2 287.382 3.495 20 0 CGADLP CC[N@H+](CC[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000328098472 374360416 /nfs/dbraw/zinc/36/04/16/374360416.db2.gz KJSRJSSTUJWPBH-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@@H+](CC[NH2+][C@H]1CCCC12CCCC2)C1CC1 ZINC000328098472 374360419 /nfs/dbraw/zinc/36/04/19/374360419.db2.gz KJSRJSSTUJWPBH-HNNXBMFYSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000453253556 374372530 /nfs/dbraw/zinc/37/25/30/374372530.db2.gz IQJLQLNMOQXOII-XNJGSVPQSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000453253556 374372536 /nfs/dbraw/zinc/37/25/36/374372536.db2.gz IQJLQLNMOQXOII-XNJGSVPQSA-N 2 2 276.399 3.267 20 0 CGADLP CC(C)[C@@H](C)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000183446359 374415808 /nfs/dbraw/zinc/41/58/08/374415808.db2.gz SYFSTQNITOMGEZ-CYBMUJFWSA-N 2 2 257.381 3.343 20 0 CGADLP CC(C)[C@@H](C)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000183446359 374415814 /nfs/dbraw/zinc/41/58/14/374415814.db2.gz SYFSTQNITOMGEZ-CYBMUJFWSA-N 2 2 257.381 3.343 20 0 CGADLP CC(C)C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000090230877 541957023 /nfs/dbraw/zinc/95/70/23/541957023.db2.gz FSGRGAQHDGJYCX-UHFFFAOYSA-N 2 2 287.451 3.072 20 0 CGADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000185192429 374607248 /nfs/dbraw/zinc/60/72/48/374607248.db2.gz ZKXPNFVQRBBTOM-HOTGVXAUSA-N 2 2 287.407 3.018 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCCCC1 ZINC000185229529 374614320 /nfs/dbraw/zinc/61/43/20/374614320.db2.gz DQMCSKWUXYWPPY-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP COCCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000185229529 374614327 /nfs/dbraw/zinc/61/43/27/374614327.db2.gz DQMCSKWUXYWPPY-CVEARBPZSA-N 2 2 294.483 3.188 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000334389836 374708963 /nfs/dbraw/zinc/70/89/63/374708963.db2.gz SDBBLSTVTDQWOV-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000334389836 374708967 /nfs/dbraw/zinc/70/89/67/374708967.db2.gz SDBBLSTVTDQWOV-KBPBESRZSA-N 2 2 269.392 3.235 20 0 CGADLP Fc1cccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1F ZINC000334408509 374725600 /nfs/dbraw/zinc/72/56/00/374725600.db2.gz RWWCIWGLTMEYNZ-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP Fc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000334408509 374725604 /nfs/dbraw/zinc/72/56/04/374725604.db2.gz RWWCIWGLTMEYNZ-UHFFFAOYSA-N 2 2 277.318 3.068 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000463744212 374849182 /nfs/dbraw/zinc/84/91/82/374849182.db2.gz IAHFTDORKWQLQA-WBVHZDCISA-N 2 2 290.451 3.438 20 0 CGADLP CCCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000463744212 374849189 /nfs/dbraw/zinc/84/91/89/374849189.db2.gz IAHFTDORKWQLQA-WBVHZDCISA-N 2 2 290.451 3.438 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000094357565 541986165 /nfs/dbraw/zinc/98/61/65/541986165.db2.gz FKQMCKBFXFCIBO-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000094357565 541986170 /nfs/dbraw/zinc/98/61/70/541986170.db2.gz FKQMCKBFXFCIBO-INIZCTEOSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC000464073671 374862633 /nfs/dbraw/zinc/86/26/33/374862633.db2.gz LIWQHUKIKQGUTE-QBBQCFRVSA-N 2 2 272.436 3.251 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccccc1 ZINC000464073671 374862641 /nfs/dbraw/zinc/86/26/41/374862641.db2.gz LIWQHUKIKQGUTE-QBBQCFRVSA-N 2 2 272.436 3.251 20 0 CGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCCOCC3)cc2)c1C ZINC000334669457 374958210 /nfs/dbraw/zinc/95/82/10/374958210.db2.gz KZXHTNFLSCGAGQ-HNNXBMFYSA-N 2 2 285.391 3.470 20 0 CGADLP CCCc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000187169123 374982477 /nfs/dbraw/zinc/98/24/77/374982477.db2.gz NZDOBINNCDOPLL-HNNXBMFYSA-N 2 2 271.408 3.262 20 0 CGADLP CCc1cccc(F)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000474157927 375087330 /nfs/dbraw/zinc/08/73/30/375087330.db2.gz YJMNJWGSZIUFAP-CQSZACIVSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000474157927 375087335 /nfs/dbraw/zinc/08/73/35/375087335.db2.gz YJMNJWGSZIUFAP-CQSZACIVSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000474157927 375087339 /nfs/dbraw/zinc/08/73/39/375087339.db2.gz YJMNJWGSZIUFAP-CQSZACIVSA-N 2 2 278.415 3.162 20 0 CGADLP CCc1cccc(F)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000474157927 375087342 /nfs/dbraw/zinc/08/73/42/375087342.db2.gz YJMNJWGSZIUFAP-CQSZACIVSA-N 2 2 278.415 3.162 20 0 CGADLP CC[C@H](C)[C@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000480914428 375161719 /nfs/dbraw/zinc/16/17/19/375161719.db2.gz QEUQKUVTHLKIEG-YQQAZPJKSA-N 2 2 262.441 3.184 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000335228537 375245946 /nfs/dbraw/zinc/24/59/46/375245946.db2.gz DVZJKMMDZPRDPB-JTQLQIEISA-N 2 2 293.798 3.008 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000487543173 375249690 /nfs/dbraw/zinc/24/96/90/375249690.db2.gz SXXDPLNRNRBPIQ-INMHGKMJSA-N 2 2 292.492 3.329 20 0 CGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423356567 291614855 /nfs/dbraw/zinc/61/48/55/291614855.db2.gz GVNBTTODHUISFX-ZLDLUXBVSA-N 2 2 272.392 3.390 20 0 CGADLP C[NH+](C)CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335460979 375308739 /nfs/dbraw/zinc/30/87/39/375308739.db2.gz HWTFLNRZDFDVCV-UHFFFAOYSA-N 2 2 287.382 3.152 20 0 CGADLP CC[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000488435486 375309179 /nfs/dbraw/zinc/30/91/79/375309179.db2.gz AAFBFDJSHHSHIY-ZTFGCOKTSA-N 2 2 272.436 3.069 20 0 CGADLP CC[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000488435486 375309185 /nfs/dbraw/zinc/30/91/85/375309185.db2.gz AAFBFDJSHHSHIY-ZTFGCOKTSA-N 2 2 272.436 3.069 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C ZINC000495108152 375496907 /nfs/dbraw/zinc/49/69/07/375496907.db2.gz LFYFLARGOJOHNT-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C ZINC000495108152 375496916 /nfs/dbraw/zinc/49/69/16/375496916.db2.gz LFYFLARGOJOHNT-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C ZINC000495108152 375496925 /nfs/dbraw/zinc/49/69/25/375496925.db2.gz LFYFLARGOJOHNT-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1C ZINC000495108152 375496929 /nfs/dbraw/zinc/49/69/29/375496929.db2.gz LFYFLARGOJOHNT-WMZOPIPTSA-N 2 2 272.436 3.138 20 0 CGADLP CC1(C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)O1 ZINC000190569069 375520619 /nfs/dbraw/zinc/52/06/19/375520619.db2.gz MVECVRXRDQTJAP-UHFFFAOYSA-N 2 2 299.418 3.262 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000335953296 375566220 /nfs/dbraw/zinc/56/62/20/375566220.db2.gz JVOAGLWFQHSAJX-GFCCVEGCSA-N 2 2 287.329 3.021 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000191576620 375641090 /nfs/dbraw/zinc/64/10/90/375641090.db2.gz WDQJSYXWTMVBDB-AWEZNQCLSA-N 2 2 269.458 3.090 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@@H+]1CCC[C@@H](C)C1 ZINC000502273599 375643567 /nfs/dbraw/zinc/64/35/67/375643567.db2.gz LKHKBVDSDSPDQR-NQNKBUKLSA-N 2 2 264.457 3.275 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@H+]1CCC[C@@H](C)C1 ZINC000502273599 375643575 /nfs/dbraw/zinc/64/35/75/375643575.db2.gz LKHKBVDSDSPDQR-NQNKBUKLSA-N 2 2 264.457 3.275 20 0 CGADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)CC1 ZINC000192282625 375724461 /nfs/dbraw/zinc/72/44/61/375724461.db2.gz AFTCFJUQPNBREL-UHFFFAOYSA-N 2 2 299.418 3.196 20 0 CGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[NH+]1CCCCCC1 ZINC000507457220 375702551 /nfs/dbraw/zinc/70/25/51/375702551.db2.gz AVHIXVKSEUVMPQ-KURKYZTESA-N 2 2 296.499 3.292 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000192390484 375743547 /nfs/dbraw/zinc/74/35/47/375743547.db2.gz CTFGVKCZQBFVNV-ZBFHGGJFSA-N 2 2 287.451 3.465 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000192974842 375809860 /nfs/dbraw/zinc/80/98/60/375809860.db2.gz FPSOAQFFYPJIRI-UHFFFAOYSA-N 2 2 293.436 3.225 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336534156 375812535 /nfs/dbraw/zinc/81/25/35/375812535.db2.gz WAXFXDRMQUALMT-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336534156 375812540 /nfs/dbraw/zinc/81/25/40/375812540.db2.gz WAXFXDRMQUALMT-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP C[C@@H](C[NH2+]Cc1cc(Cl)cs1)Cn1cc[nH+]c1 ZINC000193065182 375822712 /nfs/dbraw/zinc/82/27/12/375822712.db2.gz CKFQIGZKAREVOX-JTQLQIEISA-N 2 2 269.801 3.024 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516966700 375824716 /nfs/dbraw/zinc/82/47/16/375824716.db2.gz ALAWOTDMVHCKOB-AWEZNQCLSA-N 2 2 292.386 3.271 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC000194420749 376002084 /nfs/dbraw/zinc/00/20/84/376002084.db2.gz UXSOHLKOUGKNCU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC000194420749 376002094 /nfs/dbraw/zinc/00/20/94/376002094.db2.gz UXSOHLKOUGKNCU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000194420749 376002100 /nfs/dbraw/zinc/00/21/00/376002100.db2.gz UXSOHLKOUGKNCU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000194420749 376002108 /nfs/dbraw/zinc/00/21/08/376002108.db2.gz UXSOHLKOUGKNCU-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP CC(C)(C)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337145741 376100366 /nfs/dbraw/zinc/10/03/66/376100366.db2.gz FBVRCRGPCPAWIG-HNNXBMFYSA-N 2 2 262.397 3.361 20 0 CGADLP CC(C)(C)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337145741 376100373 /nfs/dbraw/zinc/10/03/73/376100373.db2.gz FBVRCRGPCPAWIG-HNNXBMFYSA-N 2 2 262.397 3.361 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517563 376174449 /nfs/dbraw/zinc/17/44/49/376174449.db2.gz YALQBVYPTJHCLA-NEPJUHHUSA-N 2 2 297.240 3.181 20 0 CGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217517563 376174455 /nfs/dbraw/zinc/17/44/55/376174455.db2.gz YALQBVYPTJHCLA-NEPJUHHUSA-N 2 2 297.240 3.181 20 0 CGADLP COc1cc(Cl)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337279557 376187167 /nfs/dbraw/zinc/18/71/67/376187167.db2.gz UKALYTMONZLEAE-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP COc1cc(Cl)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337279557 376187173 /nfs/dbraw/zinc/18/71/73/376187173.db2.gz UKALYTMONZLEAE-UHFFFAOYSA-N 2 2 296.842 3.266 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000222006196 376227428 /nfs/dbraw/zinc/22/74/28/376227428.db2.gz CADIXQQECCTTJA-OAHLLOKOSA-N 2 2 278.415 3.078 20 0 CGADLP CCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000222204668 376231580 /nfs/dbraw/zinc/23/15/80/376231580.db2.gz OOLQTFBJIKEXAD-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000222204668 376231587 /nfs/dbraw/zinc/23/15/87/376231587.db2.gz OOLQTFBJIKEXAD-QGZVFWFLSA-N 2 2 272.436 3.431 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC(F)(F)C1 ZINC000338316472 376330457 /nfs/dbraw/zinc/33/04/57/376330457.db2.gz NFNYPVKRGASPHF-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC(F)(F)C1 ZINC000338316472 376330466 /nfs/dbraw/zinc/33/04/66/376330466.db2.gz NFNYPVKRGASPHF-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338316472 376330469 /nfs/dbraw/zinc/33/04/69/376330469.db2.gz NFNYPVKRGASPHF-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338316472 376330474 /nfs/dbraw/zinc/33/04/74/376330474.db2.gz NFNYPVKRGASPHF-ZNMIVQPWSA-N 2 2 286.410 3.371 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccncc1F ZINC000338370358 376353194 /nfs/dbraw/zinc/35/31/94/376353194.db2.gz NRVNQBUVJKTLLL-LBPRGKRZSA-N 2 2 298.365 3.230 20 0 CGADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000226411239 376358134 /nfs/dbraw/zinc/35/81/34/376358134.db2.gz VKPATTVNUUBDGG-SUMWQHHRSA-N 2 2 254.377 3.195 20 0 CGADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000226411239 376358138 /nfs/dbraw/zinc/35/81/38/376358138.db2.gz VKPATTVNUUBDGG-SUMWQHHRSA-N 2 2 254.377 3.195 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000540317559 376370660 /nfs/dbraw/zinc/37/06/60/376370660.db2.gz WGAWTLUOZAZJCH-DOTOQJQBSA-N 2 2 260.425 3.315 20 0 CGADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000540317559 376370663 /nfs/dbraw/zinc/37/06/63/376370663.db2.gz WGAWTLUOZAZJCH-DOTOQJQBSA-N 2 2 260.425 3.315 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000540370597 376371294 /nfs/dbraw/zinc/37/12/94/376371294.db2.gz VGXFNWUKBUOCQD-DZGCQCFKSA-N 2 2 294.414 3.359 20 0 CGADLP COc1ccc(F)cc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000540370597 376371300 /nfs/dbraw/zinc/37/13/00/376371300.db2.gz VGXFNWUKBUOCQD-DZGCQCFKSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338687151 376479782 /nfs/dbraw/zinc/47/97/82/376479782.db2.gz MIUZXMSIJPYOQF-BPUTZDHNSA-N 2 2 260.425 3.108 20 0 CGADLP C[N@H+](Cc1csc(C(C)(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000231459454 376557796 /nfs/dbraw/zinc/55/77/96/376557796.db2.gz UXDDBTLKJPMZLM-ZDUSSCGKSA-N 2 2 281.469 3.015 20 0 CGADLP C[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000231459454 376557804 /nfs/dbraw/zinc/55/78/04/376557804.db2.gz UXDDBTLKJPMZLM-ZDUSSCGKSA-N 2 2 281.469 3.015 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000233479415 376597043 /nfs/dbraw/zinc/59/70/43/376597043.db2.gz XCYOJRLDCSNOQA-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000233479415 376597048 /nfs/dbraw/zinc/59/70/48/376597048.db2.gz XCYOJRLDCSNOQA-CQSZACIVSA-N 2 2 266.816 3.222 20 0 CGADLP COc1cccc2c1cc[nH+]c2NCC(C)(C)C[NH+](C)C ZINC000234908446 376623209 /nfs/dbraw/zinc/62/32/09/376623209.db2.gz QERSFMDSZWLMPH-UHFFFAOYSA-N 2 2 287.407 3.243 20 0 CGADLP CC(C)[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544348208 376723017 /nfs/dbraw/zinc/72/30/17/376723017.db2.gz CLFHZDUOUDXLON-CYBMUJFWSA-N 2 2 275.421 3.412 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544348208 376723024 /nfs/dbraw/zinc/72/30/24/376723024.db2.gz CLFHZDUOUDXLON-CYBMUJFWSA-N 2 2 275.421 3.412 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135960390 542089603 /nfs/dbraw/zinc/08/96/03/542089603.db2.gz GGHJPCGQNYAXIS-MFKMUULPSA-N 2 2 270.779 3.038 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135960390 542089605 /nfs/dbraw/zinc/08/96/05/542089605.db2.gz GGHJPCGQNYAXIS-MFKMUULPSA-N 2 2 270.779 3.038 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccco3)[nH+]c12 ZINC000156329930 542127429 /nfs/dbraw/zinc/12/74/29/542127429.db2.gz GHEGMPKWEQJTIU-ZDUSSCGKSA-N 2 2 269.348 3.129 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782677 542139267 /nfs/dbraw/zinc/13/92/67/542139267.db2.gz KKZKGMCAYNXJLJ-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1 ZINC000157782677 542139272 /nfs/dbraw/zinc/13/92/72/542139272.db2.gz KKZKGMCAYNXJLJ-IAGOWNOFSA-N 2 2 276.399 3.351 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000157755638 542139468 /nfs/dbraw/zinc/13/94/68/542139468.db2.gz LQVZSKNPQFMPPE-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000157755638 542139470 /nfs/dbraw/zinc/13/94/70/542139470.db2.gz LQVZSKNPQFMPPE-SJLPKXTDSA-N 2 2 270.420 3.056 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556877500 376897621 /nfs/dbraw/zinc/89/76/21/376897621.db2.gz JPKBTFDHEMWRKP-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000556877500 376897631 /nfs/dbraw/zinc/89/76/31/376897631.db2.gz JPKBTFDHEMWRKP-IRXDYDNUSA-N 2 2 258.409 3.212 20 0 CGADLP Fc1ccccc1C1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000556609925 376865573 /nfs/dbraw/zinc/86/55/73/376865573.db2.gz WDZJDTNDPPFRKN-UHFFFAOYSA-N 2 2 299.393 3.394 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000340208228 376949914 /nfs/dbraw/zinc/94/99/14/376949914.db2.gz CMMYENAPKZMDOS-ZBFHGGJFSA-N 2 2 278.440 3.001 20 0 CGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000246373181 377016761 /nfs/dbraw/zinc/01/67/61/377016761.db2.gz ANQIXKVKEMTNSK-KQTLUZQSSA-N 2 2 276.424 3.365 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]CC1Cc2ccccc2C1)c1ccccc1 ZINC000558574963 377020979 /nfs/dbraw/zinc/02/09/79/377020979.db2.gz OLLASMTVFXPRCU-FQEVSTJZSA-N 2 2 294.442 3.294 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+]1CCCC[C@H]1C ZINC000558696758 377033710 /nfs/dbraw/zinc/03/37/10/377033710.db2.gz BLXXJBDTTCGFSH-LYYZXLFJSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+]1CCCC[C@H]1C ZINC000558696758 377033712 /nfs/dbraw/zinc/03/37/12/377033712.db2.gz BLXXJBDTTCGFSH-LYYZXLFJSA-N 2 2 250.430 3.028 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000340419086 377050031 /nfs/dbraw/zinc/05/00/31/377050031.db2.gz WBVHTONLJBOMGE-ZIAGYGMSSA-N 2 2 294.826 3.065 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000340419086 377050040 /nfs/dbraw/zinc/05/00/40/377050040.db2.gz WBVHTONLJBOMGE-ZIAGYGMSSA-N 2 2 294.826 3.065 20 0 CGADLP C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246313130 377008672 /nfs/dbraw/zinc/00/86/72/377008672.db2.gz QWUWKJRTTJYLRI-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000246313130 377008676 /nfs/dbraw/zinc/00/86/76/377008676.db2.gz QWUWKJRTTJYLRI-GDBMZVCRSA-N 2 2 261.413 3.346 20 0 CGADLP COc1ccc(F)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000559267835 377077672 /nfs/dbraw/zinc/07/76/72/377077672.db2.gz VKNVVYFTFPPKKA-MRXNPFEDSA-N 2 2 296.430 3.290 20 0 CGADLP CSc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)s1 ZINC000340561246 377147382 /nfs/dbraw/zinc/14/73/82/377147382.db2.gz KLTJZSWFYLEKRV-UHFFFAOYSA-N 2 2 284.494 3.432 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000561353546 377222893 /nfs/dbraw/zinc/22/28/93/377222893.db2.gz GFXNLPXLBBWCRJ-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000561353546 377222903 /nfs/dbraw/zinc/22/29/03/377222903.db2.gz GFXNLPXLBBWCRJ-RBSFLKMASA-N 2 2 252.446 3.275 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000562777179 377359535 /nfs/dbraw/zinc/35/95/35/377359535.db2.gz NXTOTQNCJZPRFA-HNNXBMFYSA-N 2 2 289.467 3.460 20 0 CGADLP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000340987368 377347173 /nfs/dbraw/zinc/34/71/73/377347173.db2.gz PLYMKYKYEPDXPO-AWEZNQCLSA-N 2 2 282.391 3.114 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248884428 377420091 /nfs/dbraw/zinc/42/00/91/377420091.db2.gz UEXYGJGEEFUHRD-CXTNEJHOSA-N 2 2 250.430 3.026 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248884428 377420098 /nfs/dbraw/zinc/42/00/98/377420098.db2.gz UEXYGJGEEFUHRD-CXTNEJHOSA-N 2 2 250.430 3.026 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399681 377498227 /nfs/dbraw/zinc/49/82/27/377498227.db2.gz SKHVSVGCIARSSV-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399681 377498229 /nfs/dbraw/zinc/49/82/29/377498229.db2.gz SKHVSVGCIARSSV-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399681 377498235 /nfs/dbraw/zinc/49/82/35/377498235.db2.gz SKHVSVGCIARSSV-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3F)CC[C@H]21 ZINC000249399681 377498237 /nfs/dbraw/zinc/49/82/37/377498237.db2.gz SKHVSVGCIARSSV-CZUORRHYSA-N 2 2 296.817 3.395 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000163622420 542167441 /nfs/dbraw/zinc/16/74/41/542167441.db2.gz CILCPSVDWJHXOQ-MRXNPFEDSA-N 2 2 290.451 3.065 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000166518977 542175295 /nfs/dbraw/zinc/17/52/95/542175295.db2.gz KOLHROYVKSMWKG-MJBXVCDLSA-N 2 2 279.453 3.119 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(C)cs1 ZINC000166518977 542175300 /nfs/dbraw/zinc/17/53/00/542175300.db2.gz KOLHROYVKSMWKG-MJBXVCDLSA-N 2 2 279.453 3.119 20 0 CGADLP C[C@@H]([NH2+]Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000422904185 249127522 /nfs/dbraw/zinc/12/75/22/249127522.db2.gz PUQDYNCETHGCKF-BXUZGUMPSA-N 2 2 260.406 3.131 20 0 CGADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000250066436 377548983 /nfs/dbraw/zinc/54/89/83/377548983.db2.gz QKCSAQDOSQENMY-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000250066436 377548993 /nfs/dbraw/zinc/54/89/93/377548993.db2.gz QKCSAQDOSQENMY-IRXDYDNUSA-N 2 2 260.425 3.254 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573767679 377573131 /nfs/dbraw/zinc/57/31/31/377573131.db2.gz YYRBAKWLUDEEHI-GFCCVEGCSA-N 2 2 289.810 3.273 20 0 CGADLP CCc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000573767679 377573138 /nfs/dbraw/zinc/57/31/38/377573138.db2.gz YYRBAKWLUDEEHI-GFCCVEGCSA-N 2 2 289.810 3.273 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)n1C ZINC000514734983 249187681 /nfs/dbraw/zinc/18/76/81/249187681.db2.gz RDKNPIKFQZNVPR-LLVKDONJSA-N 2 2 261.344 3.027 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)n1C ZINC000516664317 249240029 /nfs/dbraw/zinc/24/00/29/249240029.db2.gz MRXZFEFURBKAGY-YVEFUNNKSA-N 2 2 269.392 3.142 20 0 CGADLP CCc1ccc([C@@H](COC)[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000516924813 249249240 /nfs/dbraw/zinc/24/92/40/249249240.db2.gz ZMIBTDSIVNHQNI-MRXNPFEDSA-N 2 2 288.391 3.065 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(F)c1 ZINC000517123422 249258142 /nfs/dbraw/zinc/25/81/42/249258142.db2.gz JXZFTIJHMNMTIK-CYBMUJFWSA-N 2 2 282.378 3.093 20 0 CGADLP Cc1cc(F)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(F)c1 ZINC000517123422 249258145 /nfs/dbraw/zinc/25/81/45/249258145.db2.gz JXZFTIJHMNMTIK-CYBMUJFWSA-N 2 2 282.378 3.093 20 0 CGADLP COC1([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)CCCCC1 ZINC000574307987 377646267 /nfs/dbraw/zinc/64/62/67/377646267.db2.gz PGPBKSGSUPWSFO-CQSZACIVSA-N 2 2 291.439 3.047 20 0 CGADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C1CC[NH2+]CC1 ZINC000574452427 377664138 /nfs/dbraw/zinc/66/41/38/377664138.db2.gz GOWSTLBGPUBHAO-UHFFFAOYSA-N 2 2 293.480 3.375 20 0 CGADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C1CC[NH2+]CC1 ZINC000574452427 377664151 /nfs/dbraw/zinc/66/41/51/377664151.db2.gz GOWSTLBGPUBHAO-UHFFFAOYSA-N 2 2 293.480 3.375 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644502 377689972 /nfs/dbraw/zinc/68/99/72/377689972.db2.gz BKLNFBWHJMJZOO-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644502 377689975 /nfs/dbraw/zinc/68/99/75/377689975.db2.gz BKLNFBWHJMJZOO-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644502 377689980 /nfs/dbraw/zinc/68/99/80/377689980.db2.gz BKLNFBWHJMJZOO-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)[C@@H]2C1 ZINC000574644502 377689985 /nfs/dbraw/zinc/68/99/85/377689985.db2.gz BKLNFBWHJMJZOO-CZUORRHYSA-N 2 2 296.817 3.048 20 0 CGADLP C/C(=C/c1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000255061432 377728716 /nfs/dbraw/zinc/72/87/16/377728716.db2.gz BJRRYCIWZAACSE-SQFISAMPSA-N 2 2 258.409 3.116 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975226 377731807 /nfs/dbraw/zinc/73/18/07/377731807.db2.gz WYRJFEBXGOLBDP-CBBWQLFWSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000574975226 377731814 /nfs/dbraw/zinc/73/18/14/377731814.db2.gz WYRJFEBXGOLBDP-CBBWQLFWSA-N 2 2 278.465 3.172 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000342745923 377771316 /nfs/dbraw/zinc/77/13/16/377771316.db2.gz YXJXFEPPKHZXRR-VSZNYVQBSA-N 2 2 294.483 3.046 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000261571488 377818816 /nfs/dbraw/zinc/81/88/16/377818816.db2.gz LCGNRTXJNJPLIE-UFGOTCBOSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC000261571488 377818823 /nfs/dbraw/zinc/81/88/23/377818823.db2.gz LCGNRTXJNJPLIE-UFGOTCBOSA-N 2 2 285.218 3.163 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCCn1cc[nH+]c1 ZINC000343324335 377952928 /nfs/dbraw/zinc/95/29/28/377952928.db2.gz XDRCWMZIKDSPPL-SFHVURJKSA-N 2 2 299.418 3.291 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343324335 377952938 /nfs/dbraw/zinc/95/29/38/377952938.db2.gz XDRCWMZIKDSPPL-SFHVURJKSA-N 2 2 299.418 3.291 20 0 CGADLP C[NH+](C)CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000343406538 377971243 /nfs/dbraw/zinc/97/12/43/377971243.db2.gz VLCMBXJIHMCLRF-AWEZNQCLSA-N 2 2 286.341 3.308 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000577989735 378028840 /nfs/dbraw/zinc/02/88/40/378028840.db2.gz QLWNDVFLQSFYMF-CHWSQXEVSA-N 2 2 261.413 3.073 20 0 CGADLP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000577989735 378028846 /nfs/dbraw/zinc/02/88/46/378028846.db2.gz QLWNDVFLQSFYMF-CHWSQXEVSA-N 2 2 261.413 3.073 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897757 378128185 /nfs/dbraw/zinc/12/81/85/378128185.db2.gz YUIUFKGBINLSCK-PBHICJAKSA-N 2 2 290.451 3.041 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000343897757 378128191 /nfs/dbraw/zinc/12/81/91/378128191.db2.gz YUIUFKGBINLSCK-PBHICJAKSA-N 2 2 290.451 3.041 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579242061 378143369 /nfs/dbraw/zinc/14/33/69/378143369.db2.gz DHAPGIIXYTUAAT-HZSPNIEDSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579242061 378143375 /nfs/dbraw/zinc/14/33/75/378143375.db2.gz DHAPGIIXYTUAAT-HZSPNIEDSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cs1 ZINC000269426823 378221026 /nfs/dbraw/zinc/22/10/26/378221026.db2.gz OAJDSNIUVDMSHA-GFCCVEGCSA-N 2 2 298.415 3.488 20 0 CGADLP Cc1cc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)c(C)s1 ZINC000582430833 378313684 /nfs/dbraw/zinc/31/36/84/378313684.db2.gz IXLYUEJFKKXRCD-UHFFFAOYSA-N 2 2 264.438 3.068 20 0 CGADLP Cc1cc(C[N@H+]2CC3CCC2(C[NH3+])CC3)c(C)s1 ZINC000582430833 378313691 /nfs/dbraw/zinc/31/36/91/378313691.db2.gz IXLYUEJFKKXRCD-UHFFFAOYSA-N 2 2 264.438 3.068 20 0 CGADLP c1ccc2[nH+]c(N3CCC[C@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000270538494 378365650 /nfs/dbraw/zinc/36/56/50/378365650.db2.gz BDMNKGIDBBBAKD-AWEZNQCLSA-N 2 2 284.407 3.018 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000270788299 378400644 /nfs/dbraw/zinc/40/06/44/378400644.db2.gz BTYXLUKHCZTFCV-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000270788299 378400651 /nfs/dbraw/zinc/40/06/51/378400651.db2.gz BTYXLUKHCZTFCV-CYBMUJFWSA-N 2 2 261.394 3.090 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000270880185 378409412 /nfs/dbraw/zinc/40/94/12/378409412.db2.gz NKMOUCRMNRCWOT-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000270880185 378409416 /nfs/dbraw/zinc/40/94/16/378409416.db2.gz NKMOUCRMNRCWOT-GUYCJALGSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000270884908 378410469 /nfs/dbraw/zinc/41/04/69/378410469.db2.gz OEBBKRXJYUIYET-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000270884908 378410473 /nfs/dbraw/zinc/41/04/73/378410473.db2.gz OEBBKRXJYUIYET-DYVFJYSZSA-N 2 2 287.382 3.414 20 0 CGADLP COc1cccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)c1 ZINC000270676742 378385812 /nfs/dbraw/zinc/38/58/12/378385812.db2.gz SSMLADZVZQZISO-KRWDZBQOSA-N 2 2 285.391 3.037 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cscn1 ZINC000271024129 378430175 /nfs/dbraw/zinc/43/01/75/378430175.db2.gz AVRFHPDAHWIEAA-NSHDSACASA-N 2 2 293.411 3.195 20 0 CGADLP C[C@H](C1CC1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164538 378486078 /nfs/dbraw/zinc/48/60/78/378486078.db2.gz DBLQKQRNCBONIN-LLVKDONJSA-N 2 2 261.394 3.164 20 0 CGADLP C[C@H](C1CC1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164538 378486082 /nfs/dbraw/zinc/48/60/82/378486082.db2.gz DBLQKQRNCBONIN-LLVKDONJSA-N 2 2 261.394 3.164 20 0 CGADLP CC1(C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346196148 378498724 /nfs/dbraw/zinc/49/87/24/378498724.db2.gz IQRQSHNSIHCWEJ-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP CC1(C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346196148 378498729 /nfs/dbraw/zinc/49/87/29/378498729.db2.gz IQRQSHNSIHCWEJ-UHFFFAOYSA-N 2 2 261.394 3.166 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)s1 ZINC000346270320 378527705 /nfs/dbraw/zinc/52/77/05/378527705.db2.gz CZYPCWJZUVGXAL-AWEZNQCLSA-N 2 2 275.421 3.399 20 0 CGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)s1 ZINC000346270320 378527710 /nfs/dbraw/zinc/52/77/10/378527710.db2.gz CZYPCWJZUVGXAL-AWEZNQCLSA-N 2 2 275.421 3.399 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346219209 378509916 /nfs/dbraw/zinc/50/99/16/378509916.db2.gz ROMSLEQBKSLCBD-BETUJISGSA-N 2 2 275.421 3.412 20 0 CGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346219209 378509925 /nfs/dbraw/zinc/50/99/25/378509925.db2.gz ROMSLEQBKSLCBD-BETUJISGSA-N 2 2 275.421 3.412 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc2cccnc12 ZINC000346326965 378545780 /nfs/dbraw/zinc/54/57/80/378545780.db2.gz OOOOAWZYVWPPMU-AEFFLSMTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc2cccnc12 ZINC000346326965 378545782 /nfs/dbraw/zinc/54/57/82/378545782.db2.gz OOOOAWZYVWPPMU-AEFFLSMTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc2cccnc12 ZINC000346326965 378545788 /nfs/dbraw/zinc/54/57/88/378545788.db2.gz OOOOAWZYVWPPMU-AEFFLSMTSA-N 2 2 295.430 3.069 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc2cccnc12 ZINC000346326965 378545790 /nfs/dbraw/zinc/54/57/90/378545790.db2.gz OOOOAWZYVWPPMU-AEFFLSMTSA-N 2 2 295.430 3.069 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@@H+]1C ZINC000346343062 378551433 /nfs/dbraw/zinc/55/14/33/378551433.db2.gz VIKBYOAZAJQZJH-JEWKTJRQSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]1[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@H+]1C ZINC000346343062 378551439 /nfs/dbraw/zinc/55/14/39/378551439.db2.gz VIKBYOAZAJQZJH-JEWKTJRQSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCO1 ZINC000346469379 378586770 /nfs/dbraw/zinc/58/67/70/378586770.db2.gz BCULUUWQACXEJM-SOUVJXGZSA-N 2 2 294.464 3.042 20 0 CGADLP CC(C)(C)OC1CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000272355081 378618507 /nfs/dbraw/zinc/61/85/07/378618507.db2.gz DQHPUWWOLCBVCW-UHFFFAOYSA-N 2 2 291.439 3.209 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642428 378657502 /nfs/dbraw/zinc/65/75/02/378657502.db2.gz MDOCUSDJAYEDHU-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000346642428 378657509 /nfs/dbraw/zinc/65/75/09/378657509.db2.gz MDOCUSDJAYEDHU-ZJUUUORDSA-N 2 2 290.304 3.014 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346697350 378680777 /nfs/dbraw/zinc/68/07/77/378680777.db2.gz CHZPPIKAZIRVNG-GJYPPUQNSA-N 2 2 298.430 3.463 20 0 CGADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346697350 378680784 /nfs/dbraw/zinc/68/07/84/378680784.db2.gz CHZPPIKAZIRVNG-GJYPPUQNSA-N 2 2 298.430 3.463 20 0 CGADLP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000347999218 378749206 /nfs/dbraw/zinc/74/92/06/378749206.db2.gz COYOBIYPOYOOGA-AWEZNQCLSA-N 2 2 270.486 3.126 20 0 CGADLP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000347999218 378749208 /nfs/dbraw/zinc/74/92/08/378749208.db2.gz COYOBIYPOYOOGA-AWEZNQCLSA-N 2 2 270.486 3.126 20 0 CGADLP Cc1csc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)n1 ZINC000348003372 378750914 /nfs/dbraw/zinc/75/09/14/378750914.db2.gz FTDIABIWQWXBTD-ZDUSSCGKSA-N 2 2 275.421 3.438 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348121870 378799885 /nfs/dbraw/zinc/79/98/85/378799885.db2.gz RURGGDIXXCLEOQ-CVEARBPZSA-N 2 2 296.499 3.290 20 0 CGADLP CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348083882 378783397 /nfs/dbraw/zinc/78/33/97/378783397.db2.gz KJKCEFDYFFVBFS-WMLDXEAASA-N 2 2 269.392 3.210 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000348119982 378800756 /nfs/dbraw/zinc/80/07/56/378800756.db2.gz GYPBNXRGIUMNDV-USXIJHARSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000348119982 378800760 /nfs/dbraw/zinc/80/07/60/378800760.db2.gz GYPBNXRGIUMNDV-USXIJHARSA-N 2 2 260.425 3.285 20 0 CGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(C)o2)c1 ZINC000638382184 378786140 /nfs/dbraw/zinc/78/61/40/378786140.db2.gz SZYLQLSHFQPCIV-UHFFFAOYSA-N 2 2 287.407 3.115 20 0 CGADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C1CCOCC1 ZINC000348095235 378789317 /nfs/dbraw/zinc/78/93/17/378789317.db2.gz HSVNHXPPBUGEFJ-QGZVFWFLSA-N 2 2 276.424 3.117 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638429564 378801107 /nfs/dbraw/zinc/80/11/07/378801107.db2.gz KOMUXZMGIVVIEH-UHFFFAOYSA-N 2 2 287.407 3.182 20 0 CGADLP c1cn(-c2ccccc2C[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC000638419014 378796987 /nfs/dbraw/zinc/79/69/87/378796987.db2.gz HRSZUJRNOFCEGK-UHFFFAOYSA-N 2 2 294.358 3.028 20 0 CGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000274442406 378834523 /nfs/dbraw/zinc/83/45/23/378834523.db2.gz LPSRUKPTXKZCSX-NSHDSACASA-N 2 2 278.425 3.122 20 0 CGADLP c1c[nH+]c(C2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)[nH]1 ZINC000274545432 378849593 /nfs/dbraw/zinc/84/95/93/378849593.db2.gz VPSTVBBMZDBKBB-HOTGVXAUSA-N 2 2 267.376 3.145 20 0 CGADLP Cc1ccoc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000266241947 190242863 /nfs/dbraw/zinc/24/28/63/190242863.db2.gz XGSRDMGPFXTBNN-UHFFFAOYSA-N 2 2 269.348 3.187 20 0 CGADLP CCCc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000274853653 378906474 /nfs/dbraw/zinc/90/64/74/378906474.db2.gz YNBGRMIECGXNLU-AWEZNQCLSA-N 2 2 257.381 3.014 20 0 CGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000348265550 378873189 /nfs/dbraw/zinc/87/31/89/378873189.db2.gz WPRLHOBTAKGQFX-IAGOWNOFSA-N 2 2 281.403 3.277 20 0 CGADLP CCC[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)OC ZINC000638691150 378873881 /nfs/dbraw/zinc/87/38/81/378873881.db2.gz VVLNVFYBJGPQCY-RHSMWYFYSA-N 2 2 287.407 3.338 20 0 CGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000347036620 218100780 /nfs/dbraw/zinc/10/07/80/218100780.db2.gz HDLOJVHMCALRSU-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000347036620 218100783 /nfs/dbraw/zinc/10/07/83/218100783.db2.gz HDLOJVHMCALRSU-OAHLLOKOSA-N 2 2 284.403 3.045 20 0 CGADLP CC(C)Cc1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000347041416 218102186 /nfs/dbraw/zinc/10/21/86/218102186.db2.gz KVICYIYLLNUBHI-PBWFPOADSA-N 2 2 293.480 3.056 20 0 CGADLP CC(C)Cc1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000347041416 218102188 /nfs/dbraw/zinc/10/21/88/218102188.db2.gz KVICYIYLLNUBHI-PBWFPOADSA-N 2 2 293.480 3.056 20 0 CGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000347088570 218117642 /nfs/dbraw/zinc/11/76/42/218117642.db2.gz CZBLGIHEKGPATO-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000347088570 218117645 /nfs/dbraw/zinc/11/76/45/218117645.db2.gz CZBLGIHEKGPATO-AWEZNQCLSA-N 2 2 254.377 3.133 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347106695 218123683 /nfs/dbraw/zinc/12/36/83/218123683.db2.gz NKNLLVRMQKNWTN-NSHDSACASA-N 2 2 278.783 3.128 20 0 CGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000347106695 218123687 /nfs/dbraw/zinc/12/36/87/218123687.db2.gz NKNLLVRMQKNWTN-NSHDSACASA-N 2 2 278.783 3.128 20 0 CGADLP c1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)cc[nH+]1 ZINC000347112447 218125997 /nfs/dbraw/zinc/12/59/97/218125997.db2.gz ZQMBUIVDGNJPJY-LJQANCHMSA-N 2 2 294.398 3.224 20 0 CGADLP c1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)cc[nH+]1 ZINC000347112447 218125998 /nfs/dbraw/zinc/12/59/98/218125998.db2.gz ZQMBUIVDGNJPJY-LJQANCHMSA-N 2 2 294.398 3.224 20 0 CGADLP C[C@H]([NH2+]CC1CCSCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000639055671 378990539 /nfs/dbraw/zinc/99/05/39/378990539.db2.gz ZTVGVTQHOSWYOW-WMLDXEAASA-N 2 2 292.492 3.411 20 0 CGADLP CCC[N@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000347067495 218112148 /nfs/dbraw/zinc/11/21/48/218112148.db2.gz MVLUTMNDHZIIEM-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP CCC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000347067495 218112150 /nfs/dbraw/zinc/11/21/50/218112150.db2.gz MVLUTMNDHZIIEM-QGZVFWFLSA-N 2 2 283.419 3.117 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000347233597 218164154 /nfs/dbraw/zinc/16/41/54/218164154.db2.gz ZDSZFEZMMLFRJZ-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000347233597 218164157 /nfs/dbraw/zinc/16/41/57/218164157.db2.gz ZDSZFEZMMLFRJZ-AWEZNQCLSA-N 2 2 287.432 3.123 20 0 CGADLP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000567854048 322180183 /nfs/dbraw/zinc/18/01/83/322180183.db2.gz XSJLVTVKLQTNSR-AAEUAGOBSA-N 2 2 296.352 3.274 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000370669137 379048939 /nfs/dbraw/zinc/04/89/39/379048939.db2.gz FYQOSCSNUPHMJR-OAHLLOKOSA-N 2 2 292.386 3.427 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Cl)o1 ZINC000348811649 379063666 /nfs/dbraw/zinc/06/36/66/379063666.db2.gz CBVQQDFKCRWBAF-UHFFFAOYSA-N 2 2 296.798 3.480 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(Cl)o1 ZINC000348811649 379063672 /nfs/dbraw/zinc/06/36/72/379063672.db2.gz CBVQQDFKCRWBAF-UHFFFAOYSA-N 2 2 296.798 3.480 20 0 CGADLP C[NH+](CCC[N@H+](C)Cc1ccc(Cl)o1)Cc1ccco1 ZINC000348811649 379063681 /nfs/dbraw/zinc/06/36/81/379063681.db2.gz CBVQQDFKCRWBAF-UHFFFAOYSA-N 2 2 296.798 3.480 20 0 CGADLP C[NH+](CCC[N@@H+](C)Cc1ccc(Cl)o1)Cc1ccco1 ZINC000348811649 379063688 /nfs/dbraw/zinc/06/36/88/379063688.db2.gz CBVQQDFKCRWBAF-UHFFFAOYSA-N 2 2 296.798 3.480 20 0 CGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289997 379133524 /nfs/dbraw/zinc/13/35/24/379133524.db2.gz RGAHBQAAYAPHHU-IIAWOOMASA-N 2 2 299.418 3.160 20 0 CGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ncoc1-c1ccccc1 ZINC000371289997 379133528 /nfs/dbraw/zinc/13/35/28/379133528.db2.gz RGAHBQAAYAPHHU-IIAWOOMASA-N 2 2 299.418 3.160 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)CC1 ZINC000277274575 379116089 /nfs/dbraw/zinc/11/60/89/379116089.db2.gz RUOBBVMGLLUNMY-CQSZACIVSA-N 2 2 298.377 3.204 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC000277274575 379116101 /nfs/dbraw/zinc/11/61/01/379116101.db2.gz RUOBBVMGLLUNMY-CQSZACIVSA-N 2 2 298.377 3.204 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349124023 379164671 /nfs/dbraw/zinc/16/46/71/379164671.db2.gz AONYZXCYKBKCAT-HRCADAONSA-N 2 2 273.424 3.202 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349124023 379164679 /nfs/dbraw/zinc/16/46/79/379164679.db2.gz AONYZXCYKBKCAT-HRCADAONSA-N 2 2 273.424 3.202 20 0 CGADLP Cc1nocc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000639229098 379169810 /nfs/dbraw/zinc/16/98/10/379169810.db2.gz XQPKOGUWXJQZGO-GUYCJALGSA-N 2 2 291.439 3.116 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349351588 379242117 /nfs/dbraw/zinc/24/21/17/379242117.db2.gz QNEBNYJTMNDUFY-UHFFFAOYSA-N 2 2 294.487 3.029 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000349377113 379258378 /nfs/dbraw/zinc/25/83/78/379258378.db2.gz IDLORWYPQDQZEI-UBDQQSCGSA-N 2 2 290.451 3.083 20 0 CGADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000639379382 379339239 /nfs/dbraw/zinc/33/92/39/379339239.db2.gz XKHMCJWYRHBWNM-UHFFFAOYSA-N 2 2 287.407 3.134 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266790431 190281205 /nfs/dbraw/zinc/28/12/05/190281205.db2.gz WWOYRCGPAKNWMC-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000377710290 379727260 /nfs/dbraw/zinc/72/72/60/379727260.db2.gz WUNALHHRAVYADP-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000377710290 379727269 /nfs/dbraw/zinc/72/72/69/379727269.db2.gz WUNALHHRAVYADP-MRXNPFEDSA-N 2 2 288.435 3.214 20 0 CGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729280 379741873 /nfs/dbraw/zinc/74/18/73/379741873.db2.gz FOMPXKKMFAREBY-IUODEOHRSA-N 2 2 298.352 3.231 20 0 CGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729280 379741878 /nfs/dbraw/zinc/74/18/78/379741878.db2.gz FOMPXKKMFAREBY-IUODEOHRSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729280 379741885 /nfs/dbraw/zinc/74/18/85/379741885.db2.gz FOMPXKKMFAREBY-IUODEOHRSA-N 2 2 298.352 3.231 20 0 CGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC000351729280 379741889 /nfs/dbraw/zinc/74/18/89/379741889.db2.gz FOMPXKKMFAREBY-IUODEOHRSA-N 2 2 298.352 3.231 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)cc(C)c1)CCC2 ZINC000377836403 379748189 /nfs/dbraw/zinc/74/81/89/379748189.db2.gz AHPYQVBNQAAPEU-KRWDZBQOSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)CCC2 ZINC000377836574 379748232 /nfs/dbraw/zinc/74/82/32/379748232.db2.gz CDUPZTGSJHDWML-QGZVFWFLSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)cc1C)CCC2 ZINC000377837175 379749174 /nfs/dbraw/zinc/74/91/74/379749174.db2.gz JTQJAVSLOKOHSR-KRWDZBQOSA-N 2 2 283.419 3.476 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000267391378 190326526 /nfs/dbraw/zinc/32/65/26/190326526.db2.gz DFAWDFJCTNMEMZ-ZDUSSCGKSA-N 2 2 275.421 3.468 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)s1 ZINC000267391378 190326527 /nfs/dbraw/zinc/32/65/27/190326527.db2.gz DFAWDFJCTNMEMZ-ZDUSSCGKSA-N 2 2 275.421 3.468 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000352504067 379839290 /nfs/dbraw/zinc/83/92/90/379839290.db2.gz MVGAMAVUJVOCGX-GFCCVEGCSA-N 2 2 291.420 3.106 20 0 CGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000352504067 379839298 /nfs/dbraw/zinc/83/92/98/379839298.db2.gz MVGAMAVUJVOCGX-GFCCVEGCSA-N 2 2 291.420 3.106 20 0 CGADLP c1cc2cccc(C[NH2+]CCCNc3cccc[nH+]3)c2[nH]1 ZINC000347779559 218354064 /nfs/dbraw/zinc/35/40/64/218354064.db2.gz OUMJCYCKFJTDEA-UHFFFAOYSA-N 2 2 280.375 3.155 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)n21 ZINC000352726013 379927066 /nfs/dbraw/zinc/92/70/66/379927066.db2.gz OOHYMUZIYAKDHU-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)n21 ZINC000352726013 379927073 /nfs/dbraw/zinc/92/70/73/379927073.db2.gz OOHYMUZIYAKDHU-HOCLYGCPSA-N 2 2 269.392 3.407 20 0 CGADLP Cc1cc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)oc1C ZINC000282322515 379899211 /nfs/dbraw/zinc/89/92/11/379899211.db2.gz UKEYDNJYYFDQHF-ZDUSSCGKSA-N 2 2 296.374 3.328 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC(F)(F)F ZINC000402505075 379967881 /nfs/dbraw/zinc/96/78/81/379967881.db2.gz ATUBBZSEKCURDL-SRVKXCTJSA-N 2 2 278.362 3.180 20 0 CGADLP CC[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)CC(F)(F)F ZINC000402505075 379967887 /nfs/dbraw/zinc/96/78/87/379967887.db2.gz ATUBBZSEKCURDL-SRVKXCTJSA-N 2 2 278.362 3.180 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398975514 379933231 /nfs/dbraw/zinc/93/32/31/379933231.db2.gz YQNXKAJMCYXULU-MBNYWOFBSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000400530845 379950924 /nfs/dbraw/zinc/95/09/24/379950924.db2.gz RPXYETVUQVOJCD-MISXGVKJSA-N 2 2 286.341 3.497 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302660 379986332 /nfs/dbraw/zinc/98/63/32/379986332.db2.gz RVOWMOLHQKZCRV-HZSPNIEDSA-N 2 2 277.387 3.062 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641302660 379986338 /nfs/dbraw/zinc/98/63/38/379986338.db2.gz RVOWMOLHQKZCRV-HZSPNIEDSA-N 2 2 277.387 3.062 20 0 CGADLP CCc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000352828097 379988089 /nfs/dbraw/zinc/98/80/89/379988089.db2.gz UBLZCMWVFCBBTM-UHFFFAOYSA-N 2 2 294.402 3.243 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)c21 ZINC000352900112 380027211 /nfs/dbraw/zinc/02/72/11/380027211.db2.gz LYHHBJPCFLNHGV-KDOFPFPSSA-N 2 2 297.446 3.091 20 0 CGADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)c21 ZINC000352900112 380027214 /nfs/dbraw/zinc/02/72/14/380027214.db2.gz LYHHBJPCFLNHGV-KDOFPFPSSA-N 2 2 297.446 3.091 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000641707784 380053016 /nfs/dbraw/zinc/05/30/16/380053016.db2.gz QCVQKDOAAHLLLM-HUUCEWRRSA-N 2 2 275.440 3.320 20 0 CGADLP CCC1(CC)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000268012652 190369685 /nfs/dbraw/zinc/36/96/85/190369685.db2.gz HCTGDEUBUFYCEZ-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP CCC1(CC)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000268012652 190369686 /nfs/dbraw/zinc/36/96/86/190369686.db2.gz HCTGDEUBUFYCEZ-UHFFFAOYSA-N 2 2 284.407 3.279 20 0 CGADLP c1ccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066492 380100880 /nfs/dbraw/zinc/10/08/80/380100880.db2.gz MRFRWGOQOVBLQG-OKZBNKHCSA-N 2 2 280.371 3.091 20 0 CGADLP c1ccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353066492 380100886 /nfs/dbraw/zinc/10/08/86/380100886.db2.gz MRFRWGOQOVBLQG-OKZBNKHCSA-N 2 2 280.371 3.091 20 0 CGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(-c2cccs2)n1 ZINC000641801377 380110955 /nfs/dbraw/zinc/11/09/55/380110955.db2.gz BSWJZLRQYTZUJC-VXGBXAGGSA-N 2 2 293.461 3.087 20 0 CGADLP Cc1c[nH+]c(CNc2ccc(-c3ccccc3)c(C)[nH+]2)n1C ZINC000353238067 380181910 /nfs/dbraw/zinc/18/19/10/380181910.db2.gz GEMBJMLXUGSDSU-UHFFFAOYSA-N 2 2 292.386 3.133 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(C)ccc1OC ZINC000643502127 380324459 /nfs/dbraw/zinc/32/44/59/380324459.db2.gz XRTCEYQUUBHVMG-GDBMZVCRSA-N 2 2 276.424 3.186 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000643502235 380325078 /nfs/dbraw/zinc/32/50/78/380325078.db2.gz ASVCFFALNFKSFP-CXAGYDPISA-N 2 2 258.409 3.357 20 0 CGADLP COCCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000643502806 380326183 /nfs/dbraw/zinc/32/61/83/380326183.db2.gz RNAPNNLSVOQSJN-IRXDYDNUSA-N 2 2 294.414 3.025 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1nccc2ccccc21 ZINC000643502445 380326568 /nfs/dbraw/zinc/32/65/68/380326568.db2.gz GVRBODXTKOWPFD-UKRRQHHQSA-N 2 2 269.392 3.028 20 0 CGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506884 380328822 /nfs/dbraw/zinc/32/88/22/380328822.db2.gz LNTQMLAMWMYICD-LBPRGKRZSA-N 2 2 272.392 3.398 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[NH2+]C1CC1 ZINC000643507757 380330934 /nfs/dbraw/zinc/33/09/34/380330934.db2.gz OOYNHTSPIKNJPX-QGZVFWFLSA-N 2 2 283.419 3.195 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccccc2C1)c1ccccc1 ZINC000643509062 380331797 /nfs/dbraw/zinc/33/17/97/380331797.db2.gz HCOFXMYLRQURHS-RBUKOAKNSA-N 2 2 280.415 3.224 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)c1ccccc1 ZINC000643508843 380332343 /nfs/dbraw/zinc/33/23/43/380332343.db2.gz IDCDSPFAEJSMST-IAGOWNOFSA-N 2 2 288.341 3.242 20 0 CGADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2ccccc2)nc1 ZINC000643522196 380337471 /nfs/dbraw/zinc/33/74/71/380337471.db2.gz JMFCNRMSRABTPC-FUHWJXTLSA-N 2 2 299.393 3.042 20 0 CGADLP Cc1ccc(N[C@H]2CCc3ccc[nH+]c3CC2)[nH+]c1 ZINC000643347795 380290406 /nfs/dbraw/zinc/29/04/06/380290406.db2.gz ISUCKFNXTAFPCN-AWEZNQCLSA-N 2 2 253.349 3.145 20 0 CGADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C1CC(C)(C)C1 ZINC000414533283 380305861 /nfs/dbraw/zinc/30/58/61/380305861.db2.gz IBGMJRFIUPXTTB-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC(C)(C)C1 ZINC000414533283 380305864 /nfs/dbraw/zinc/30/58/64/380305864.db2.gz IBGMJRFIUPXTTB-UHFFFAOYSA-N 2 2 257.381 3.345 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643514520 380335927 /nfs/dbraw/zinc/33/59/27/380335927.db2.gz LHZGSJLLEULQBA-NHYWBVRUSA-N 2 2 268.351 3.059 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414674286 380365873 /nfs/dbraw/zinc/36/58/73/380365873.db2.gz DLWFGJDWFLZTPZ-JKSUJKDBSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414674286 380365875 /nfs/dbraw/zinc/36/58/75/380365875.db2.gz DLWFGJDWFLZTPZ-JKSUJKDBSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000414674279 380366161 /nfs/dbraw/zinc/36/61/61/380366161.db2.gz DLWFGJDWFLZTPZ-CVEARBPZSA-N 2 2 264.388 3.336 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000414674279 380366169 /nfs/dbraw/zinc/36/61/69/380366169.db2.gz DLWFGJDWFLZTPZ-CVEARBPZSA-N 2 2 264.388 3.336 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414771804 380396686 /nfs/dbraw/zinc/39/66/86/380396686.db2.gz RRGCBHMRXTYHPD-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414771804 380396691 /nfs/dbraw/zinc/39/66/91/380396691.db2.gz RRGCBHMRXTYHPD-QAPCUYQASA-N 2 2 295.430 3.308 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(OCCC)c1 ZINC000643525698 380341354 /nfs/dbraw/zinc/34/13/54/380341354.db2.gz BBGKZTMHFNBDBC-ZIAGYGMSSA-N 2 2 294.439 3.262 20 0 CGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537362 380353564 /nfs/dbraw/zinc/35/35/64/380353564.db2.gz GEKSRSJANRALHT-DLOVCJGASA-N 2 2 299.459 3.100 20 0 CGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Cl)c1 ZINC000643536813 380353810 /nfs/dbraw/zinc/35/38/10/380353810.db2.gz WAALJGRRUYHGIB-IHRRRGAJSA-N 2 2 270.779 3.081 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538525 380355582 /nfs/dbraw/zinc/35/55/82/380355582.db2.gz MICYGYJBDOMWSP-MGBSGCIJSA-N 2 2 276.399 3.161 20 0 CGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)oc2c1 ZINC000643538437 380356309 /nfs/dbraw/zinc/35/63/09/380356309.db2.gz KKAHCYLTMDZFRQ-UBHSHLNASA-N 2 2 276.355 3.092 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000414815423 380426096 /nfs/dbraw/zinc/42/60/96/380426096.db2.gz PJIPYHPCTJTIFF-GFCCVEGCSA-N 2 2 293.436 3.319 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414817281 380428176 /nfs/dbraw/zinc/42/81/76/380428176.db2.gz RWOFOVJFPAVZEV-GFCCVEGCSA-N 2 2 295.477 3.479 20 0 CGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414827199 380436212 /nfs/dbraw/zinc/43/62/12/380436212.db2.gz XJTMDFGYNHGXTD-UHFFFAOYSA-N 2 2 280.824 3.378 20 0 CGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414832071 380439777 /nfs/dbraw/zinc/43/97/77/380439777.db2.gz DEUUUPJQCMDTHX-QMMMGPOBSA-N 2 2 279.186 3.078 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C1CCCCC1 ZINC000414830714 380440182 /nfs/dbraw/zinc/44/01/82/380440182.db2.gz BKCCSEROMGWQAZ-HNNXBMFYSA-N 2 2 286.341 3.101 20 0 CGADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])CC(C)C)s2)o1 ZINC000414835795 380443766 /nfs/dbraw/zinc/44/37/66/380443766.db2.gz HVYKMJQJCIOTLP-GFCCVEGCSA-N 2 2 293.436 3.175 20 0 CGADLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414835691 380443924 /nfs/dbraw/zinc/44/39/24/380443924.db2.gz VMJPCRQDJSRGMS-UHFFFAOYSA-N 2 2 278.396 3.253 20 0 CGADLP CC(C)c1ncc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000414835248 380444367 /nfs/dbraw/zinc/44/43/67/380444367.db2.gz RHGZAWNBRIYZCY-CQSZACIVSA-N 2 2 275.421 3.056 20 0 CGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccncc1 ZINC000354454215 380444631 /nfs/dbraw/zinc/44/46/31/380444631.db2.gz BNEGQEWNSBQVQX-KRWDZBQOSA-N 2 2 269.392 3.459 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000414842306 380448277 /nfs/dbraw/zinc/44/82/77/380448277.db2.gz YYHMLASFHYGTJR-CRAIPNDOSA-N 2 2 268.404 3.155 20 0 CGADLP COC1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414843658 380449701 /nfs/dbraw/zinc/44/97/01/380449701.db2.gz JYVWQSDRACQTSP-ABHNRTSZSA-N 2 2 290.451 3.357 20 0 CGADLP CC(C)(C)c1n[nH]cc1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414803547 380416556 /nfs/dbraw/zinc/41/65/56/380416556.db2.gz JPGPMUICGDACPN-UHFFFAOYSA-N 2 2 292.471 3.109 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414807723 380420148 /nfs/dbraw/zinc/42/01/48/380420148.db2.gz CYYXPPCOKQYQRF-NSHDSACASA-N 2 2 258.768 3.086 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000414928392 380493269 /nfs/dbraw/zinc/49/32/69/380493269.db2.gz BADNOIWNZKUBHK-JOYOIKCWSA-N 2 2 273.207 3.224 20 0 CGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414929166 380494067 /nfs/dbraw/zinc/49/40/67/380494067.db2.gz NZGRCPLORIGBQI-AWEZNQCLSA-N 2 2 298.377 3.156 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414934480 380495426 /nfs/dbraw/zinc/49/54/26/380495426.db2.gz BPFZJCUEXALJKO-WFASDCNBSA-N 2 2 287.432 3.040 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414934970 380495862 /nfs/dbraw/zinc/49/58/62/380495862.db2.gz UBDCNWKQYWDQPX-LRDDRELGSA-N 2 2 288.366 3.173 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414934976 380496459 /nfs/dbraw/zinc/49/64/59/380496459.db2.gz UBDCNWKQYWDQPX-MLGOLLRUSA-N 2 2 288.366 3.173 20 0 CGADLP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1-c1cccs1 ZINC000414863207 380463665 /nfs/dbraw/zinc/46/36/65/380463665.db2.gz IBPAPVDIXCXSDS-CYBMUJFWSA-N 2 2 290.407 3.396 20 0 CGADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414864891 380465010 /nfs/dbraw/zinc/46/50/10/380465010.db2.gz KMEGTFOTHBHQNP-GOSISDBHSA-N 2 2 296.414 3.204 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414906697 380483549 /nfs/dbraw/zinc/48/35/49/380483549.db2.gz AGMLSQQTWYRPKZ-DGCLKSJQSA-N 2 2 266.454 3.133 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000644894098 380541178 /nfs/dbraw/zinc/54/11/78/380541178.db2.gz XMGVFTAFBDBWQL-KBUPBQIOSA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000644894098 380541181 /nfs/dbraw/zinc/54/11/81/380541181.db2.gz XMGVFTAFBDBWQL-KBUPBQIOSA-N 2 2 250.430 3.170 20 0 CGADLP CCC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000268831025 190439071 /nfs/dbraw/zinc/43/90/71/190439071.db2.gz QYELESVBQXPCGQ-RHSMWYFYSA-N 2 2 287.407 3.411 20 0 CGADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000645157697 380598609 /nfs/dbraw/zinc/59/86/09/380598609.db2.gz QYBFBIRCWXCKAL-OAHLLOKOSA-N 2 2 296.349 3.412 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393713 380667381 /nfs/dbraw/zinc/66/73/81/380667381.db2.gz ZUJFMSWYXPZOAP-GUYCJALGSA-N 2 2 258.409 3.309 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000645393713 380667386 /nfs/dbraw/zinc/66/73/86/380667386.db2.gz ZUJFMSWYXPZOAP-GUYCJALGSA-N 2 2 258.409 3.309 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H](CO)CCC(C)(C)C)c[nH+]1 ZINC000355726448 380759467 /nfs/dbraw/zinc/75/94/67/380759467.db2.gz HPJSJZVPTPFIHY-MRXNPFEDSA-N 2 2 278.440 3.099 20 0 CGADLP Cc1ccc(C[N@H+](CCc2cc[nH+]cc2C)C2CC2)o1 ZINC000645777629 380727391 /nfs/dbraw/zinc/72/73/91/380727391.db2.gz CDNJTTALTWOQEC-UHFFFAOYSA-N 2 2 270.376 3.499 20 0 CGADLP Cc1ccc(C[N@@H+](CCc2cc[nH+]cc2C)C2CC2)o1 ZINC000645777629 380727395 /nfs/dbraw/zinc/72/73/95/380727395.db2.gz CDNJTTALTWOQEC-UHFFFAOYSA-N 2 2 270.376 3.499 20 0 CGADLP Clc1cc2c(s1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000645954322 380785351 /nfs/dbraw/zinc/78/53/51/380785351.db2.gz CEWHZDBFGQXRNF-UHFFFAOYSA-N 2 2 281.812 3.046 20 0 CGADLP Clc1cc2c(s1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000645954322 380785354 /nfs/dbraw/zinc/78/53/54/380785354.db2.gz CEWHZDBFGQXRNF-UHFFFAOYSA-N 2 2 281.812 3.046 20 0 CGADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000357711815 381262022 /nfs/dbraw/zinc/26/20/22/381262022.db2.gz PXUXNJNGXUOBSQ-HNNXBMFYSA-N 2 2 282.378 3.286 20 0 CGADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000357711815 381262029 /nfs/dbraw/zinc/26/20/29/381262029.db2.gz PXUXNJNGXUOBSQ-HNNXBMFYSA-N 2 2 282.378 3.286 20 0 CGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCO[C@H]2C)c(C)c1 ZINC000358347744 381305750 /nfs/dbraw/zinc/30/57/50/381305750.db2.gz FWXHPUCHCSVUKS-SZMVWBNQSA-N 2 2 299.418 3.008 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000359465920 381348169 /nfs/dbraw/zinc/34/81/69/381348169.db2.gz LDNPAJXAYBFCAL-XHSDSOJGSA-N 2 2 273.424 3.232 20 0 CGADLP Cc1cc[nH+]c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000359465920 381348172 /nfs/dbraw/zinc/34/81/72/381348172.db2.gz LDNPAJXAYBFCAL-XHSDSOJGSA-N 2 2 273.424 3.232 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000360070200 381434830 /nfs/dbraw/zinc/43/48/30/381434830.db2.gz CYJAALJNJUWDEY-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000360070200 381434834 /nfs/dbraw/zinc/43/48/34/381434834.db2.gz CYJAALJNJUWDEY-UHFFFAOYSA-N 2 2 275.440 3.003 20 0 CGADLP CC(C)(C[NH2+]Cc1ccc(Cl)o1)C[NH+]1CCCC1 ZINC000360170505 381467027 /nfs/dbraw/zinc/46/70/27/381467027.db2.gz YOMUVYSCVFAVKR-UHFFFAOYSA-N 2 2 270.804 3.145 20 0 CGADLP CC[NH+]1CCC([NH2+]Cc2nc(C(C)C)c(C)s2)CC1 ZINC000360172551 381467571 /nfs/dbraw/zinc/46/75/71/381467571.db2.gz XWLWREPVLXQXGA-UHFFFAOYSA-N 2 2 281.469 3.149 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(Cl)c2Cl)CC[NH2+]1 ZINC000334868004 207215771 /nfs/dbraw/zinc/21/57/71/207215771.db2.gz HQXYJQGHCADGHZ-IONNQARKSA-N 2 2 279.236 3.285 20 0 CGADLP C[N@@H+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289243240 197272858 /nfs/dbraw/zinc/27/28/58/197272858.db2.gz DUTBVRVFPASBDC-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289243240 197272860 /nfs/dbraw/zinc/27/28/60/197272860.db2.gz DUTBVRVFPASBDC-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[NH+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289243240 197272861 /nfs/dbraw/zinc/27/28/61/197272861.db2.gz DUTBVRVFPASBDC-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522231 382034157 /nfs/dbraw/zinc/03/41/57/382034157.db2.gz BCTNYNFJIWOQSX-BONVTDFDSA-N 2 2 282.790 3.051 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000362522231 382034164 /nfs/dbraw/zinc/03/41/64/382034164.db2.gz BCTNYNFJIWOQSX-BONVTDFDSA-N 2 2 282.790 3.051 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362921573 382148678 /nfs/dbraw/zinc/14/86/78/382148678.db2.gz GOLNDECKGGNZAX-UHFFFAOYSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(OC(F)F)c1 ZINC000235510458 542312663 /nfs/dbraw/zinc/31/26/63/542312663.db2.gz HWAFNRIPZZNPOO-WCQYABFASA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000366948524 382326372 /nfs/dbraw/zinc/32/63/72/382326372.db2.gz XGOXRCPHOIJNEP-ZDUSSCGKSA-N 2 2 255.365 3.070 20 0 CGADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423452085 532975033 /nfs/dbraw/zinc/97/50/33/532975033.db2.gz VWWJPMCYKBNGSZ-UTUOFQBUSA-N 2 2 275.421 3.196 20 0 CGADLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cn[nH]c1 ZINC000280891874 195017230 /nfs/dbraw/zinc/01/72/30/195017230.db2.gz DFJITHHGVKBVML-STQMWFEESA-N 2 2 281.363 3.007 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423563258 533004877 /nfs/dbraw/zinc/00/48/77/533004877.db2.gz RHFINRDOBDWPGM-JSGCOSHPSA-N 2 2 264.438 3.201 20 0 CGADLP CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000411963094 533017855 /nfs/dbraw/zinc/01/78/55/533017855.db2.gz BWQCGVYBPPVGMY-KSSFIOAISA-N 2 2 299.418 3.166 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341510 208232628 /nfs/dbraw/zinc/23/26/28/208232628.db2.gz KQSSRKSLQONWHU-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335341510 208232633 /nfs/dbraw/zinc/23/26/33/208232633.db2.gz KQSSRKSLQONWHU-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335341510 208232638 /nfs/dbraw/zinc/23/26/38/208232638.db2.gz KQSSRKSLQONWHU-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335341510 208232641 /nfs/dbraw/zinc/23/26/41/208232641.db2.gz KQSSRKSLQONWHU-MLGOLLRUSA-N 2 2 280.362 3.053 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749910 220300647 /nfs/dbraw/zinc/30/06/47/220300647.db2.gz NCIIUXQYXXSIMM-ZFWWWQNUSA-N 2 2 264.388 3.130 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749910 220300649 /nfs/dbraw/zinc/30/06/49/220300649.db2.gz NCIIUXQYXXSIMM-ZFWWWQNUSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749910 220300650 /nfs/dbraw/zinc/30/06/50/220300650.db2.gz NCIIUXQYXXSIMM-ZFWWWQNUSA-N 2 2 264.388 3.130 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2F)C[C@@H]1C ZINC000353749910 220300652 /nfs/dbraw/zinc/30/06/52/220300652.db2.gz NCIIUXQYXXSIMM-ZFWWWQNUSA-N 2 2 264.388 3.130 20 0 CGADLP CC(C)C[C@@H](C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000289352882 197308872 /nfs/dbraw/zinc/30/88/72/197308872.db2.gz XQZRBIMZIYMSMY-CQSZACIVSA-N 2 2 272.396 3.039 20 0 CGADLP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000287294832 542395868 /nfs/dbraw/zinc/39/58/68/542395868.db2.gz DIIRIBPPNBGLEP-FZMZJTMJSA-N 2 2 292.814 3.017 20 0 CGADLP Cc1cc[nH+]cc1CCCNc1ccc(C[NH+](C)C)cc1 ZINC000289278329 197283045 /nfs/dbraw/zinc/28/30/45/197283045.db2.gz OKDTUEBDTFBBMW-UHFFFAOYSA-N 2 2 283.419 3.496 20 0 CGADLP C[N@H+](Cc1cc(Cl)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289243240 197272857 /nfs/dbraw/zinc/27/28/57/197272857.db2.gz DUTBVRVFPASBDC-FUNVUKJBSA-N 2 2 284.856 3.459 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+]1Cc2ccccc2C1 ZINC000289261287 197278273 /nfs/dbraw/zinc/27/82/73/197278273.db2.gz DCTRFYOEVJKXHU-UHFFFAOYSA-N 2 2 252.361 3.338 20 0 CGADLP Cc1ccncc1CCC[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000289065316 197225346 /nfs/dbraw/zinc/22/53/46/197225346.db2.gz CETGIZLCUGJJJM-QGZVFWFLSA-N 2 2 289.467 3.033 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000289065316 197225348 /nfs/dbraw/zinc/22/53/48/197225348.db2.gz CETGIZLCUGJJJM-QGZVFWFLSA-N 3 2 289.467 3.033 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc2)cc1 ZINC000423280098 533132798 /nfs/dbraw/zinc/13/27/98/533132798.db2.gz SXCFFVHPAOJZMX-OALUTQOASA-N 2 2 298.430 3.358 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280439068 285205724 /nfs/dbraw/zinc/20/57/24/285205724.db2.gz CLXFLAHXRKOZNM-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280439068 285205725 /nfs/dbraw/zinc/20/57/25/285205725.db2.gz CLXFLAHXRKOZNM-ZWKOTPCHSA-N 2 2 287.451 3.387 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000309738802 542426005 /nfs/dbraw/zinc/42/60/05/542426005.db2.gz PHCDYTOTHRLKSJ-CRAIPNDOSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000309738802 542426008 /nfs/dbraw/zinc/42/60/08/542426008.db2.gz PHCDYTOTHRLKSJ-CRAIPNDOSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000309738804 542426055 /nfs/dbraw/zinc/42/60/55/542426055.db2.gz PHCDYTOTHRLKSJ-MAUKXSAKSA-N 2 2 296.414 3.145 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1Cc1ccccc1 ZINC000309738804 542426057 /nfs/dbraw/zinc/42/60/57/542426057.db2.gz PHCDYTOTHRLKSJ-MAUKXSAKSA-N 2 2 296.414 3.145 20 0 CGADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000324111967 542441696 /nfs/dbraw/zinc/44/16/96/542441696.db2.gz LDQFRSMXPCDZGK-QGZVFWFLSA-N 2 2 269.392 3.397 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348275127 542518083 /nfs/dbraw/zinc/51/80/83/542518083.db2.gz CAOJLIQUJCFJKN-KURKYZTESA-N 2 2 288.435 3.076 20 0 CGADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3c[nH+]cn3C)oc2c1 ZINC000353573195 542558840 /nfs/dbraw/zinc/55/88/40/542558840.db2.gz USGCHTCPHRKWHM-GFCCVEGCSA-N 2 2 269.348 3.326 20 0 CGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000423410933 533237642 /nfs/dbraw/zinc/23/76/42/533237642.db2.gz ASWLIOYEYSRFPL-DNVCBOLYSA-N 2 2 298.430 3.259 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cn1 ZINC000423233297 533431143 /nfs/dbraw/zinc/43/11/43/533431143.db2.gz DKMKJSMYLPXTJT-RISCZKNCSA-N 2 2 275.783 3.086 20 0 CGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423232964 533431565 /nfs/dbraw/zinc/43/15/65/533431565.db2.gz CXDWSFVIKAPQGS-WBMJQRKESA-N 2 2 258.340 3.176 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)o1)[C@H](C)[NH3+] ZINC000423447024 533501156 /nfs/dbraw/zinc/50/11/56/533501156.db2.gz OODHLNQOGFSNPU-XQQFMLRXSA-N 2 2 258.365 3.333 20 0 CGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(-c2ccccc2)n1 ZINC000423278668 533510752 /nfs/dbraw/zinc/51/07/52/533510752.db2.gz QCEAOBRIYYFWGU-RISCZKNCSA-N 2 2 287.432 3.198 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423545840 533517698 /nfs/dbraw/zinc/51/76/98/533517698.db2.gz DUIQECFNBZVBKK-BXUZGUMPSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423561795 533519107 /nfs/dbraw/zinc/51/91/07/533519107.db2.gz QDTXIOVUHIFHQT-BXUZGUMPSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1Cl ZINC000424380956 533520071 /nfs/dbraw/zinc/52/00/71/533520071.db2.gz XXPHTBJSBYDVOZ-OWYVNGRQSA-N 2 2 270.779 3.400 20 0 CGADLP Cc1[nH+]ccc(NCc2ccccc2-n2cc[nH+]c2)c1Cl ZINC000355101129 533639058 /nfs/dbraw/zinc/63/90/58/533639058.db2.gz HSBUYXQKIQCGNL-UHFFFAOYSA-N 2 2 298.777 3.263 20 0 CGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccno2)cc1 ZINC000371625188 542590127 /nfs/dbraw/zinc/59/01/27/542590127.db2.gz SSQQTADLCCSMCM-GFCCVEGCSA-N 2 2 282.347 3.020 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000385527785 542602577 /nfs/dbraw/zinc/60/25/77/542602577.db2.gz QRLRWNMJGJOCKX-GXTWGEPZSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000385527785 542602581 /nfs/dbraw/zinc/60/25/81/542602581.db2.gz QRLRWNMJGJOCKX-GXTWGEPZSA-N 2 2 266.454 3.500 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389583599 542607945 /nfs/dbraw/zinc/60/79/45/542607945.db2.gz YNPSCYUCFZAIPU-AQFXKWCLSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000389583599 542607947 /nfs/dbraw/zinc/60/79/47/542607947.db2.gz YNPSCYUCFZAIPU-AQFXKWCLSA-N 2 2 272.436 3.315 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000389453056 542608150 /nfs/dbraw/zinc/60/81/50/542608150.db2.gz QQDACQPMPAEDBH-GRDNDAEWSA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000389453056 542608156 /nfs/dbraw/zinc/60/81/56/542608156.db2.gz QQDACQPMPAEDBH-GRDNDAEWSA-N 2 2 258.409 3.309 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389341194 542608546 /nfs/dbraw/zinc/60/85/46/542608546.db2.gz JENNBIGAMPOFME-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389341194 542608547 /nfs/dbraw/zinc/60/85/47/542608547.db2.gz JENNBIGAMPOFME-NEPJUHHUSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389341199 542608962 /nfs/dbraw/zinc/60/89/62/542608962.db2.gz JENNBIGAMPOFME-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000389341199 542608968 /nfs/dbraw/zinc/60/89/68/542608968.db2.gz JENNBIGAMPOFME-VXGBXAGGSA-N 2 2 266.351 3.181 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000049084938 392032334 /nfs/dbraw/zinc/03/23/34/392032334.db2.gz RJBYAZVZKVPBAI-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000049084938 392032337 /nfs/dbraw/zinc/03/23/37/392032337.db2.gz RJBYAZVZKVPBAI-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP CC1CC[NH+](CC[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000079652236 392221855 /nfs/dbraw/zinc/22/18/55/392221855.db2.gz JQLDBLQEMKNGBO-UHFFFAOYSA-N 2 2 252.446 3.277 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000361749505 392312279 /nfs/dbraw/zinc/31/22/79/392312279.db2.gz KCJHKUOEAJTWEJ-PVAVHDDUSA-N 2 2 290.451 3.322 20 0 CGADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000361749505 392312282 /nfs/dbraw/zinc/31/22/82/392312282.db2.gz KCJHKUOEAJTWEJ-PVAVHDDUSA-N 2 2 290.451 3.322 20 0 CGADLP Cl/C=C/C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231048 392286046 /nfs/dbraw/zinc/28/60/46/392286046.db2.gz ZJHJIMQYNXJDJG-WXJAXGNASA-N 2 2 279.815 3.151 20 0 CGADLP Cl/C=C/C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231048 392286052 /nfs/dbraw/zinc/28/60/52/392286052.db2.gz ZJHJIMQYNXJDJG-WXJAXGNASA-N 2 2 279.815 3.151 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC000252100468 131133011 /nfs/dbraw/zinc/13/30/11/131133011.db2.gz IIDVDCZOCWQCSN-QLPKVWCKSA-N 2 2 287.451 3.465 20 0 CGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000361931704 392366565 /nfs/dbraw/zinc/36/65/65/392366565.db2.gz YEDBLYUBRLCAQQ-FOLVSLTJSA-N 2 2 261.413 3.298 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459341086 542693864 /nfs/dbraw/zinc/69/38/64/542693864.db2.gz DWKZQQNAZXKCST-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459341086 542693868 /nfs/dbraw/zinc/69/38/68/542693868.db2.gz DWKZQQNAZXKCST-DYVFJYSZSA-N 2 2 287.382 3.185 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000362912059 392421798 /nfs/dbraw/zinc/42/17/98/392421798.db2.gz FEFVLSDQDVNXCI-UHFFFAOYSA-N 2 2 250.430 3.175 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000371411589 392518527 /nfs/dbraw/zinc/51/85/27/392518527.db2.gz ASSUDUBDHHEOIR-QAPCUYQASA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371411589 392518536 /nfs/dbraw/zinc/51/85/36/392518536.db2.gz ASSUDUBDHHEOIR-QAPCUYQASA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000371411589 392518544 /nfs/dbraw/zinc/51/85/44/392518544.db2.gz ASSUDUBDHHEOIR-QAPCUYQASA-N 2 2 298.434 3.067 20 0 CGADLP CCN(Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371411589 392518551 /nfs/dbraw/zinc/51/85/51/392518551.db2.gz ASSUDUBDHHEOIR-QAPCUYQASA-N 2 2 298.434 3.067 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)[NH+]1CCCC1 ZINC000151654563 392486480 /nfs/dbraw/zinc/48/64/80/392486480.db2.gz NZEGNLMUXPHPND-DOTOQJQBSA-N 2 2 276.399 3.277 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000151925403 392490111 /nfs/dbraw/zinc/49/01/11/392490111.db2.gz UVKYHNZRMBFDQI-LBPRGKRZSA-N 2 2 284.831 3.341 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cs1 ZINC000297839491 392571163 /nfs/dbraw/zinc/57/11/63/392571163.db2.gz SISIZHKOFWTKNN-IFUGULHKSA-N 2 2 264.438 3.190 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cs1 ZINC000297839491 392571166 /nfs/dbraw/zinc/57/11/66/392571166.db2.gz SISIZHKOFWTKNN-IFUGULHKSA-N 2 2 264.438 3.190 20 0 CGADLP CC[NH+](CC)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000163199882 392602600 /nfs/dbraw/zinc/60/26/00/392602600.db2.gz YDDJSVKXXNJYEN-LLVKDONJSA-N 2 2 254.340 3.039 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000372676925 392625897 /nfs/dbraw/zinc/62/58/97/392625897.db2.gz WACHAFRZEZUOCB-CQSZACIVSA-N 2 2 269.392 3.113 20 0 CGADLP Clc1cscc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479845 392735335 /nfs/dbraw/zinc/73/53/35/392735335.db2.gz WNRTXBIQESITJN-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP Clc1cscc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479845 392735340 /nfs/dbraw/zinc/73/53/40/392735340.db2.gz WNRTXBIQESITJN-BXUZGUMPSA-N 2 2 284.856 3.366 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183023168 392751065 /nfs/dbraw/zinc/75/10/65/392751065.db2.gz CDINYTUDVCBMOY-GJZGRUSLSA-N 2 2 261.413 3.346 20 0 CGADLP CC1([NH3+])CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000647531116 392752067 /nfs/dbraw/zinc/75/20/67/392752067.db2.gz BRIKDWGZNHRTQK-UHFFFAOYSA-N 2 2 290.304 3.158 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000647532851 392754456 /nfs/dbraw/zinc/75/44/56/392754456.db2.gz FQYZKBGSLNVWFR-KXBFYZLASA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000647532851 392754461 /nfs/dbraw/zinc/75/44/61/392754461.db2.gz FQYZKBGSLNVWFR-KXBFYZLASA-N 2 2 296.414 3.032 20 0 CGADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553458 392765943 /nfs/dbraw/zinc/76/59/43/392765943.db2.gz AGTADLJEGUYYDG-CQSZACIVSA-N 2 2 282.790 3.243 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCCC3(C)C)cn21 ZINC000647364850 392709058 /nfs/dbraw/zinc/70/90/58/392709058.db2.gz OZBNWTQCJIOUSG-OAHLLOKOSA-N 2 2 271.408 3.354 20 0 CGADLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1Cl ZINC000647554125 392767082 /nfs/dbraw/zinc/76/70/82/392767082.db2.gz RMDASICOXIOLRP-CQSZACIVSA-N 2 2 282.790 3.243 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(C)CC1)CCC2 ZINC000335474187 392795134 /nfs/dbraw/zinc/79/51/34/392795134.db2.gz CMXYHJKBKHVIJV-HNFVBEJKSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000510540163 392803444 /nfs/dbraw/zinc/80/34/44/392803444.db2.gz UECVJPDXAGSTCP-YVMONPNESA-N 2 2 293.414 3.225 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510654004 392806991 /nfs/dbraw/zinc/80/69/91/392806991.db2.gz UXRUPZLTNYWCKT-LSDHHAIUSA-N 2 2 258.425 3.226 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510654004 392806996 /nfs/dbraw/zinc/80/69/96/392806996.db2.gz UXRUPZLTNYWCKT-LSDHHAIUSA-N 2 2 258.425 3.226 20 0 CGADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510682211 392808730 /nfs/dbraw/zinc/80/87/30/392808730.db2.gz CNXIWPMGETWCTJ-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510682211 392808741 /nfs/dbraw/zinc/80/87/41/392808741.db2.gz CNXIWPMGETWCTJ-UONOGXRCSA-N 2 2 296.405 3.360 20 0 CGADLP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1C ZINC000375721048 392811370 /nfs/dbraw/zinc/81/13/70/392811370.db2.gz UIOCOICYIONHAW-UHFFFAOYSA-N 2 2 285.391 3.106 20 0 CGADLP CC[C@](C)([NH2+]CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647892217 392829235 /nfs/dbraw/zinc/82/92/35/392829235.db2.gz DKYDINXZVUDYDP-LBPRGKRZSA-N 2 2 266.351 3.087 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC1(C)C)CCC2 ZINC000336580182 392864176 /nfs/dbraw/zinc/86/41/76/392864176.db2.gz JIEYEXGDBPRGAC-UONOGXRCSA-N 2 2 261.413 3.237 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793778 392928449 /nfs/dbraw/zinc/92/84/49/392928449.db2.gz NYEXOAJRTLTSLD-WBMJQRKESA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000338793778 392928458 /nfs/dbraw/zinc/92/84/58/392928458.db2.gz NYEXOAJRTLTSLD-WBMJQRKESA-N 2 2 262.441 3.028 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494931961 542722158 /nfs/dbraw/zinc/72/21/58/542722158.db2.gz BPCQMPSISYGTNI-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2scnc2C2CC2)C1 ZINC000494931961 542722162 /nfs/dbraw/zinc/72/21/62/542722162.db2.gz BPCQMPSISYGTNI-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000494931961 542722164 /nfs/dbraw/zinc/72/21/64/542722164.db2.gz BPCQMPSISYGTNI-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494931961 542722167 /nfs/dbraw/zinc/72/21/67/542722167.db2.gz BPCQMPSISYGTNI-ZDUSSCGKSA-N 2 2 293.480 3.184 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)[nH]1 ZINC000495178602 542723046 /nfs/dbraw/zinc/72/30/46/542723046.db2.gz SDLUHOSVWMMJLS-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)[nH]1 ZINC000495178602 542723051 /nfs/dbraw/zinc/72/30/51/542723051.db2.gz SDLUHOSVWMMJLS-LBPRGKRZSA-N 2 2 288.420 3.123 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000513756376 542732728 /nfs/dbraw/zinc/73/27/28/542732728.db2.gz XHTYNGPCWGORPQ-SQNIBIBYSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000513756376 542732733 /nfs/dbraw/zinc/73/27/33/542732733.db2.gz XHTYNGPCWGORPQ-SQNIBIBYSA-N 2 2 272.436 3.285 20 0 CGADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000513759876 542733050 /nfs/dbraw/zinc/73/30/50/542733050.db2.gz HLMXYBJDSQHOEB-MSOLQXFVSA-N 2 2 283.419 3.456 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000514082825 542734286 /nfs/dbraw/zinc/73/42/86/542734286.db2.gz ISSAUZZYMXEGIU-HZPDHXFCSA-N 2 2 296.524 3.372 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464069768 392973163 /nfs/dbraw/zinc/97/31/63/392973163.db2.gz LLQNZJQZFTXWOA-SJORKVTESA-N 2 2 274.452 3.499 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000464069768 392973169 /nfs/dbraw/zinc/97/31/69/392973169.db2.gz LLQNZJQZFTXWOA-SJORKVTESA-N 2 2 274.452 3.499 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000648461060 393031631 /nfs/dbraw/zinc/03/16/31/393031631.db2.gz CQCFKGMRVNOPRL-YXJHDRRASA-N 2 2 299.418 3.481 20 0 CGADLP CCC[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414999168 393085759 /nfs/dbraw/zinc/08/57/59/393085759.db2.gz VHYIJHHQMXZUBR-KBPBESRZSA-N 2 2 270.367 3.142 20 0 CGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415007283 393091480 /nfs/dbraw/zinc/09/14/80/393091480.db2.gz CMGMVSPDUSQNCK-CABCVRRESA-N 2 2 298.430 3.496 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(OC)c1 ZINC000346808113 393094231 /nfs/dbraw/zinc/09/42/31/393094231.db2.gz VFQVZEYKDGUQPQ-JQFCIGGWSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(OC)c1 ZINC000346808113 393094240 /nfs/dbraw/zinc/09/42/40/393094240.db2.gz VFQVZEYKDGUQPQ-JQFCIGGWSA-N 2 2 276.424 3.219 20 0 CGADLP CC(C)([NH3+])C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000346823665 393096005 /nfs/dbraw/zinc/09/60/05/393096005.db2.gz FMKAKILXGKMFRK-UHFFFAOYSA-N 2 2 286.341 3.407 20 0 CGADLP CC(C)([NH3+])C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000346823665 393096007 /nfs/dbraw/zinc/09/60/07/393096007.db2.gz FMKAKILXGKMFRK-UHFFFAOYSA-N 2 2 286.341 3.407 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000467414590 393098557 /nfs/dbraw/zinc/09/85/57/393098557.db2.gz VVFADWGBFWPITD-VKJFTORMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000467414590 393098560 /nfs/dbraw/zinc/09/85/60/393098560.db2.gz VVFADWGBFWPITD-VKJFTORMSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414112111 393038896 /nfs/dbraw/zinc/03/88/96/393038896.db2.gz JRVONMXGSDSMFI-RCMKLKEOSA-N 2 2 272.436 3.456 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414112111 393038899 /nfs/dbraw/zinc/03/88/99/393038899.db2.gz JRVONMXGSDSMFI-RCMKLKEOSA-N 2 2 272.436 3.456 20 0 CGADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC=CCC2)Cc2ccccc2C1 ZINC000344475559 393044547 /nfs/dbraw/zinc/04/45/47/393044547.db2.gz DOLPILDBCYHQJV-MRXNPFEDSA-N 2 2 284.447 3.032 20 0 CGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000344719335 393047801 /nfs/dbraw/zinc/04/78/01/393047801.db2.gz VUTSDKYBUKZJSP-BPQIPLTHSA-N 2 2 290.451 3.083 20 0 CGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)C ZINC000344719335 393047808 /nfs/dbraw/zinc/04/78/08/393047808.db2.gz VUTSDKYBUKZJSP-BPQIPLTHSA-N 2 2 290.451 3.083 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000415036475 393106586 /nfs/dbraw/zinc/10/65/86/393106586.db2.gz JYUWYAXRVZXRCM-KRWDZBQOSA-N 2 2 288.435 3.238 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000414959581 393067388 /nfs/dbraw/zinc/06/73/88/393067388.db2.gz PVPJAZVZBFVKGT-SECBINFHSA-N 2 2 294.748 3.446 20 0 CGADLP CC(C)C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414988605 393080193 /nfs/dbraw/zinc/08/01/93/393080193.db2.gz LEVHJKSWMRYPAW-HUUCEWRRSA-N 2 2 284.394 3.388 20 0 CGADLP CC(C)c1cnc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056181 393117140 /nfs/dbraw/zinc/11/71/40/393117140.db2.gz RVPRUHAVUSLTTQ-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)c1cnc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415056181 393117148 /nfs/dbraw/zinc/11/71/48/393117148.db2.gz RVPRUHAVUSLTTQ-KBPBESRZSA-N 2 2 293.480 3.231 20 0 CGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415054328 393117169 /nfs/dbraw/zinc/11/71/69/393117169.db2.gz NGXREXQORWYZJX-CQSZACIVSA-N 2 2 264.344 3.035 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(C)ccc1OC ZINC000415063469 393123157 /nfs/dbraw/zinc/12/31/57/393123157.db2.gz IFFHXZVCEAGCRY-GOSISDBHSA-N 2 2 298.430 3.356 20 0 CGADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000415074414 393129731 /nfs/dbraw/zinc/12/97/31/393129731.db2.gz COWQLKJGMQLHAZ-NWDGAFQWSA-N 2 2 283.485 3.465 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353640047 393227178 /nfs/dbraw/zinc/22/71/78/393227178.db2.gz FZIFFNBUARXJMH-YIYPIFLZSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353640047 393227182 /nfs/dbraw/zinc/22/71/82/393227182.db2.gz FZIFFNBUARXJMH-YIYPIFLZSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000471595671 393285893 /nfs/dbraw/zinc/28/58/93/393285893.db2.gz JDTFBIHWTNIHNM-IJEWVQPXSA-N 2 2 278.465 3.015 20 0 CGADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000471595671 393285896 /nfs/dbraw/zinc/28/58/96/393285896.db2.gz JDTFBIHWTNIHNM-IJEWVQPXSA-N 2 2 278.465 3.015 20 0 CGADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000355213055 393262714 /nfs/dbraw/zinc/26/27/14/393262714.db2.gz WHNVKVOYOUXKMG-WFASDCNBSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000355213055 393262721 /nfs/dbraw/zinc/26/27/21/393262721.db2.gz WHNVKVOYOUXKMG-WFASDCNBSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000355213055 393262725 /nfs/dbraw/zinc/26/27/25/393262725.db2.gz WHNVKVOYOUXKMG-WFASDCNBSA-N 2 2 294.826 3.382 20 0 CGADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000355213055 393262732 /nfs/dbraw/zinc/26/27/32/393262732.db2.gz WHNVKVOYOUXKMG-WFASDCNBSA-N 2 2 294.826 3.382 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C1CC1 ZINC000649284342 393392559 /nfs/dbraw/zinc/39/25/59/393392559.db2.gz MPGKXZYJQOEGAL-CVEARBPZSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C1CC1 ZINC000649284342 393392560 /nfs/dbraw/zinc/39/25/60/393392560.db2.gz MPGKXZYJQOEGAL-CVEARBPZSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000649284342 393392561 /nfs/dbraw/zinc/39/25/61/393392561.db2.gz MPGKXZYJQOEGAL-CVEARBPZSA-N 2 2 250.430 3.124 20 0 CGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C1CC1 ZINC000649284342 393392562 /nfs/dbraw/zinc/39/25/62/393392562.db2.gz MPGKXZYJQOEGAL-CVEARBPZSA-N 2 2 250.430 3.124 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475338559 393394261 /nfs/dbraw/zinc/39/42/61/393394261.db2.gz ZHMUVAAMZGHVTO-QCPWZWHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000475338559 393394265 /nfs/dbraw/zinc/39/42/65/393394265.db2.gz ZHMUVAAMZGHVTO-QCPWZWHMSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647171814 393367171 /nfs/dbraw/zinc/36/71/71/393367171.db2.gz XKCNOBUVSYYGBC-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647171814 393367179 /nfs/dbraw/zinc/36/71/79/393367179.db2.gz XKCNOBUVSYYGBC-LBPRGKRZSA-N 2 2 260.372 3.028 20 0 CGADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000647181821 393373103 /nfs/dbraw/zinc/37/31/03/393373103.db2.gz TZFNZVNYNQRGCQ-STQMWFEESA-N 2 2 274.399 3.417 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCCCCC3)cn21 ZINC000647262846 393421180 /nfs/dbraw/zinc/42/11/80/393421180.db2.gz TXBJMAOOBDGCPU-UHFFFAOYSA-N 2 2 271.408 3.498 20 0 CGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356350197 393425275 /nfs/dbraw/zinc/42/52/75/393425275.db2.gz XYXDCWLMSPGABX-UHFFFAOYSA-N 2 2 272.483 3.244 20 0 CGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(SC)s1 ZINC000356350197 393425278 /nfs/dbraw/zinc/42/52/78/393425278.db2.gz XYXDCWLMSPGABX-UHFFFAOYSA-N 2 2 272.483 3.244 20 0 CGADLP CC(C)c1nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000420184035 393433223 /nfs/dbraw/zinc/43/32/23/393433223.db2.gz ISKKHUMQGFPVJX-QWHCGFSZSA-N 2 2 290.455 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000486968386 393448807 /nfs/dbraw/zinc/44/88/07/393448807.db2.gz OBRHIRMHAHUECN-XIRDDKMYSA-N 2 2 274.452 3.184 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCO2 ZINC000427894728 393459146 /nfs/dbraw/zinc/45/91/46/393459146.db2.gz LRITXZWRHWVMHS-ZBFHGGJFSA-N 2 2 297.402 3.010 20 0 CGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328741 393468662 /nfs/dbraw/zinc/46/86/62/393468662.db2.gz FNUWMTLRWATIRM-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328741 393468668 /nfs/dbraw/zinc/46/86/68/393468668.db2.gz FNUWMTLRWATIRM-GOEBONIOSA-N 2 2 276.424 3.033 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccccc1OC(F)F)C1CCCCC1 ZINC000420359159 393472297 /nfs/dbraw/zinc/47/22/97/393472297.db2.gz GBWMZLLZEQHXKL-AWEZNQCLSA-N 2 2 298.377 3.285 20 0 CGADLP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000488349443 393493259 /nfs/dbraw/zinc/49/32/59/393493259.db2.gz OZPVKSSVUWADLD-PVAVHDDUSA-N 2 2 258.409 3.069 20 0 CGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000488445468 393515433 /nfs/dbraw/zinc/51/54/33/393515433.db2.gz YETHWTGMRNKZJT-CABCVRRESA-N 2 2 284.513 3.372 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c[nH+]c12 ZINC000430098659 393523061 /nfs/dbraw/zinc/52/30/61/393523061.db2.gz WMVHCURSXWIDRX-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP Cc1cccn2c(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)c[nH+]c12 ZINC000430098659 393523063 /nfs/dbraw/zinc/52/30/63/393523063.db2.gz WMVHCURSXWIDRX-DZGCQCFKSA-N 2 2 291.345 3.120 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)Cc2ccccc2O1 ZINC000430137104 393529291 /nfs/dbraw/zinc/52/92/91/393529291.db2.gz KREVBZSQRUTTFM-AWEZNQCLSA-N 2 2 293.370 3.117 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)Cc2ccccc2O1 ZINC000430137104 393529294 /nfs/dbraw/zinc/52/92/94/393529294.db2.gz KREVBZSQRUTTFM-AWEZNQCLSA-N 2 2 293.370 3.117 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000359963854 393558710 /nfs/dbraw/zinc/55/87/10/393558710.db2.gz NSLCODMNRWPTCS-JKSUJKDBSA-N 2 2 282.472 3.188 20 0 CGADLP COC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000359963854 393558714 /nfs/dbraw/zinc/55/87/14/393558714.db2.gz NSLCODMNRWPTCS-JKSUJKDBSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1ccsc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360035357 393559751 /nfs/dbraw/zinc/55/97/51/393559751.db2.gz AOZLQTGVWMOVFO-CYBMUJFWSA-N 2 2 289.448 3.483 20 0 CGADLP CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649716972 393553724 /nfs/dbraw/zinc/55/37/24/393553724.db2.gz RRZAMBHZAOTKKZ-MRXNPFEDSA-N 2 2 299.418 3.262 20 0 CGADLP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000649716972 393553730 /nfs/dbraw/zinc/55/37/30/393553730.db2.gz RRZAMBHZAOTKKZ-MRXNPFEDSA-N 2 2 299.418 3.262 20 0 CGADLP CCCCc1nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000430539020 393572956 /nfs/dbraw/zinc/57/29/56/393572956.db2.gz DEDPOHPGNNRBKQ-AWEZNQCLSA-N 2 2 283.485 3.291 20 0 CGADLP CCCCc1nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000430539020 393572962 /nfs/dbraw/zinc/57/29/62/393572962.db2.gz DEDPOHPGNNRBKQ-AWEZNQCLSA-N 2 2 283.485 3.291 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565861 393576094 /nfs/dbraw/zinc/57/60/94/393576094.db2.gz BAUKSHBMFSVUAN-OLZOCXBDSA-N 2 2 281.444 3.338 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000430565861 393576095 /nfs/dbraw/zinc/57/60/95/393576095.db2.gz BAUKSHBMFSVUAN-OLZOCXBDSA-N 2 2 281.444 3.338 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568831 393577348 /nfs/dbraw/zinc/57/73/48/393577348.db2.gz XGBXWIRERLMPEV-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1CCCOc1ccc2ccccc2c1 ZINC000430568831 393577353 /nfs/dbraw/zinc/57/73/53/393577353.db2.gz XGBXWIRERLMPEV-QGZVFWFLSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030643 393650332 /nfs/dbraw/zinc/65/03/32/393650332.db2.gz KJYSYGBOZFNPHT-XHDPSFHLSA-N 2 2 280.362 3.197 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000361030643 393650335 /nfs/dbraw/zinc/65/03/35/393650335.db2.gz KJYSYGBOZFNPHT-XHDPSFHLSA-N 2 2 280.362 3.197 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@H]1CCC[NH2+]1 ZINC000423123786 393651720 /nfs/dbraw/zinc/65/17/20/393651720.db2.gz NIVDVTJPNMUIOT-GDPRMGEGSA-N 2 2 270.829 3.119 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423240414 393655662 /nfs/dbraw/zinc/65/56/62/393655662.db2.gz TXFYKVPEFJBVKJ-XJKSGUPXSA-N 2 2 258.409 3.141 20 0 CGADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423368000 393663395 /nfs/dbraw/zinc/66/33/95/393663395.db2.gz MTWYYYSYCXAUEM-VHSXEESVSA-N 2 2 293.411 3.255 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000666946914 542828101 /nfs/dbraw/zinc/82/81/01/542828101.db2.gz SSODDYYJLIFGIV-XGHPGWEVSA-N 2 2 276.399 3.002 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000499707104 393803912 /nfs/dbraw/zinc/80/39/12/393803912.db2.gz PVOLMEWAPCYNEX-DLCANAPRSA-N 2 2 284.447 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000499707104 393803918 /nfs/dbraw/zinc/80/39/18/393803918.db2.gz PVOLMEWAPCYNEX-DLCANAPRSA-N 2 2 284.447 3.322 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1F ZINC000449373422 393879496 /nfs/dbraw/zinc/87/94/96/393879496.db2.gz RGZPGOOJUYZSAY-UMVBOHGHSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1F ZINC000449373422 393879500 /nfs/dbraw/zinc/87/95/00/393879500.db2.gz RGZPGOOJUYZSAY-UMVBOHGHSA-N 2 2 276.399 3.410 20 0 CGADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449554485 393898919 /nfs/dbraw/zinc/89/89/19/393898919.db2.gz BOCACXMQVIUTFY-USXIJHARSA-N 2 2 260.425 3.171 20 0 CGADLP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995706 542833299 /nfs/dbraw/zinc/83/32/99/542833299.db2.gz XAZFVVOQQQNJOY-CYBMUJFWSA-N 2 2 282.790 3.243 20 0 CGADLP Clc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000450476330 393999436 /nfs/dbraw/zinc/99/94/36/393999436.db2.gz OXTKSKDVYHUNCC-UHFFFAOYSA-N 2 2 289.810 3.416 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2cccs2)n1C ZINC000667481914 542874153 /nfs/dbraw/zinc/87/41/53/542874153.db2.gz LOKDHQNZFBJYDL-ZDUSSCGKSA-N 2 2 261.394 3.127 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2cccs2)n1C ZINC000667481914 542874155 /nfs/dbraw/zinc/87/41/55/542874155.db2.gz LOKDHQNZFBJYDL-ZDUSSCGKSA-N 2 2 261.394 3.127 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667487742 542875729 /nfs/dbraw/zinc/87/57/29/542875729.db2.gz IYKBSLCBHDTPJK-GOSISDBHSA-N 2 2 299.418 3.464 20 0 CGADLP CCOc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2C)cc1 ZINC000667487742 542875731 /nfs/dbraw/zinc/87/57/31/542875731.db2.gz IYKBSLCBHDTPJK-GOSISDBHSA-N 2 2 299.418 3.464 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)c2sccc21 ZINC000453063773 394158240 /nfs/dbraw/zinc/15/82/40/394158240.db2.gz VKYDEQAFKVMCMX-YPMHNXCESA-N 2 2 261.394 3.173 20 0 CGADLP C(C[NH+]1CCCCCC1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453068894 394159969 /nfs/dbraw/zinc/15/99/69/394159969.db2.gz JYQPHIALRFPADU-INIZCTEOSA-N 2 2 250.430 3.031 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1F ZINC000453255900 394222926 /nfs/dbraw/zinc/22/29/26/394222926.db2.gz LKUFHZDPURHQIG-PBFPGSCMSA-N 2 2 276.399 3.267 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1F ZINC000453255900 394222930 /nfs/dbraw/zinc/22/29/30/394222930.db2.gz LKUFHZDPURHQIG-PBFPGSCMSA-N 2 2 276.399 3.267 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667507094 542882191 /nfs/dbraw/zinc/88/21/91/542882191.db2.gz ZKMDLUBLLHMLNI-GOSISDBHSA-N 2 2 299.418 3.247 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667507094 542882194 /nfs/dbraw/zinc/88/21/94/542882194.db2.gz ZKMDLUBLLHMLNI-GOSISDBHSA-N 2 2 299.418 3.247 20 0 CGADLP Cc1[nH+]cc(C[NH+]2CCC(COc3ccccc3)CC2)n1C ZINC000667535325 542886086 /nfs/dbraw/zinc/88/60/86/542886086.db2.gz CICKHFUJUNBLKH-UHFFFAOYSA-N 2 2 299.418 3.020 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)n1C ZINC000667654652 542907771 /nfs/dbraw/zinc/90/77/71/542907771.db2.gz HMEIHFSNQSFZRC-SJKOYZFVSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)n1C ZINC000667654652 542907774 /nfs/dbraw/zinc/90/77/74/542907774.db2.gz HMEIHFSNQSFZRC-SJKOYZFVSA-N 2 2 287.382 3.451 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)n1C ZINC000667656764 542908157 /nfs/dbraw/zinc/90/81/57/542908157.db2.gz QRWYCWZVUWMTRX-CQSZACIVSA-N 2 2 271.408 3.100 20 0 CGADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658283 542908706 /nfs/dbraw/zinc/90/87/06/542908706.db2.gz CEXPZMFLGQEBRW-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667658283 542908709 /nfs/dbraw/zinc/90/87/09/542908709.db2.gz CEXPZMFLGQEBRW-UKRRQHHQSA-N 2 2 261.413 3.230 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[NH+](C)C)cc1 ZINC000667818826 542932846 /nfs/dbraw/zinc/93/28/46/542932846.db2.gz FNABXGNLOZUAHB-XMTFNYHQSA-N 2 2 272.436 3.376 20 0 CGADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667833789 542935328 /nfs/dbraw/zinc/93/53/28/542935328.db2.gz BTZQWPIIIOGHPT-QLFBSQMISA-N 2 2 259.397 3.052 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)n1C ZINC000667971273 542952381 /nfs/dbraw/zinc/95/23/81/542952381.db2.gz JBNGQJNZIAZDDD-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)n1C ZINC000667971273 542952384 /nfs/dbraw/zinc/95/23/84/542952384.db2.gz JBNGQJNZIAZDDD-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)n1C ZINC000668064517 542964789 /nfs/dbraw/zinc/96/47/89/542964789.db2.gz OERPVHHBMURHFK-UHFFFAOYSA-N 2 2 281.762 3.153 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)n1C ZINC000668064517 542964793 /nfs/dbraw/zinc/96/47/93/542964793.db2.gz OERPVHHBMURHFK-UHFFFAOYSA-N 2 2 281.762 3.153 20 0 CGADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000423251238 285600317 /nfs/dbraw/zinc/60/03/17/285600317.db2.gz VKGSZKWUALFZOU-AWEZNQCLSA-N 2 2 282.815 3.061 20 0 CGADLP CCn1c[nH+]cc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000668155817 542977499 /nfs/dbraw/zinc/97/74/99/542977499.db2.gz GXJVBBHBGSWUKK-UHFFFAOYSA-N 2 2 281.363 3.200 20 0 CGADLP CC(C)[C@@H]1[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000668190810 542986431 /nfs/dbraw/zinc/98/64/31/542986431.db2.gz OQCVCKZADDFGQZ-INIZCTEOSA-N 2 2 284.407 3.134 20 0 CGADLP CC(C)[C@@H]1[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000668190810 542986433 /nfs/dbraw/zinc/98/64/33/542986433.db2.gz OQCVCKZADDFGQZ-INIZCTEOSA-N 2 2 284.407 3.134 20 0 CGADLP CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000668169402 542979765 /nfs/dbraw/zinc/97/97/65/542979765.db2.gz QHCVSQILNMPVAI-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000668169402 542979768 /nfs/dbraw/zinc/97/97/68/542979768.db2.gz QHCVSQILNMPVAI-INIZCTEOSA-N 2 2 299.418 3.117 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC12CCC2 ZINC000669701855 543120276 /nfs/dbraw/zinc/12/02/76/543120276.db2.gz UFJRNJDSZUQKKI-SFHVURJKSA-N 2 2 299.462 3.491 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475247 292077247 /nfs/dbraw/zinc/07/72/47/292077247.db2.gz MHZZAOUBKYNQIK-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475247 292077249 /nfs/dbraw/zinc/07/72/49/292077249.db2.gz MHZZAOUBKYNQIK-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)C(C)(C)C ZINC000670265673 543147827 /nfs/dbraw/zinc/14/78/27/543147827.db2.gz QJYHOROLENFKOI-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)C(C)(C)C ZINC000670265673 543147830 /nfs/dbraw/zinc/14/78/30/543147830.db2.gz QJYHOROLENFKOI-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)C(C)(C)C ZINC000670265673 543147832 /nfs/dbraw/zinc/14/78/32/543147832.db2.gz QJYHOROLENFKOI-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)C(C)(C)C ZINC000670265673 543147834 /nfs/dbraw/zinc/14/78/34/543147834.db2.gz QJYHOROLENFKOI-KFWWJZLASA-N 2 2 252.446 3.227 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433081528 292090225 /nfs/dbraw/zinc/09/02/25/292090225.db2.gz HGCXHSSKQIIYTP-FUHWJXTLSA-N 2 2 286.463 3.265 20 0 CGADLP Cc1ccc(C2(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CCC2)cc1C ZINC000433081528 292090228 /nfs/dbraw/zinc/09/02/28/292090228.db2.gz HGCXHSSKQIIYTP-FUHWJXTLSA-N 2 2 286.463 3.265 20 0 CGADLP CCc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc[nH+]1 ZINC000672343518 543210243 /nfs/dbraw/zinc/21/02/43/543210243.db2.gz QBVFQAFQQRDKEH-RDTXWAMCSA-N 2 2 298.434 3.451 20 0 CGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000674049549 543265786 /nfs/dbraw/zinc/26/57/86/543265786.db2.gz QHCYTPCDZVMEHA-XJKSGUPXSA-N 2 2 269.392 3.092 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c2ccccc12 ZINC000109131867 397653485 /nfs/dbraw/zinc/65/34/85/397653485.db2.gz DLQZCKUWCNKXPX-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c2ccccc12 ZINC000109131867 397653487 /nfs/dbraw/zinc/65/34/87/397653487.db2.gz DLQZCKUWCNKXPX-OAHLLOKOSA-N 2 2 284.403 3.032 20 0 CGADLP Cc1c[nH+]c(C)c(NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000650241726 397807668 /nfs/dbraw/zinc/80/76/68/397807668.db2.gz IIHZOJDAXNMXMA-UHFFFAOYSA-N 2 2 299.418 3.251 20 0 CGADLP CCc1cc(NCC2CC[NH+](CCC(C)C)CC2)nc[nH+]1 ZINC000674330288 543281095 /nfs/dbraw/zinc/28/10/95/543281095.db2.gz ISSIXCCTCWZPRN-UHFFFAOYSA-N 2 2 290.455 3.209 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650712119 397898871 /nfs/dbraw/zinc/89/88/71/397898871.db2.gz RBGINUHGECGZDG-QWHCGFSZSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1CC[NH3+] ZINC000650712119 397898872 /nfs/dbraw/zinc/89/88/72/397898872.db2.gz RBGINUHGECGZDG-QWHCGFSZSA-N 2 2 295.496 3.390 20 0 CGADLP C[C@@H]([NH2+]C1(c2ccccc2Cl)CCC1)[C@H]1CCC[NH2+]1 ZINC000650739863 397903725 /nfs/dbraw/zinc/90/37/25/397903725.db2.gz ATWHKWVCBXATBX-IUODEOHRSA-N 2 2 278.827 3.449 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000675103123 543314975 /nfs/dbraw/zinc/31/49/75/543314975.db2.gz JFMSQHZIOKOUPM-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP CCCc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000675103123 543314978 /nfs/dbraw/zinc/31/49/78/543314978.db2.gz JFMSQHZIOKOUPM-KBXCAEBGSA-N 2 2 272.436 3.211 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1SC ZINC000675765638 543361642 /nfs/dbraw/zinc/36/16/42/543361642.db2.gz CLKOONPAFBHEMJ-TZMCWYRMSA-N 2 2 294.464 3.162 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1SC ZINC000675765638 543361644 /nfs/dbraw/zinc/36/16/44/543361644.db2.gz CLKOONPAFBHEMJ-TZMCWYRMSA-N 2 2 294.464 3.162 20 0 CGADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000675763662 543361916 /nfs/dbraw/zinc/36/19/16/543361916.db2.gz QQBSWNVDHZABIG-KRWDZBQOSA-N 2 2 269.392 3.249 20 0 CGADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766834 543362273 /nfs/dbraw/zinc/36/22/73/543362273.db2.gz PTNQCFFVQKJWLC-CZUORRHYSA-N 2 2 258.409 3.093 20 0 CGADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000675766834 543362274 /nfs/dbraw/zinc/36/22/74/543362274.db2.gz PTNQCFFVQKJWLC-CZUORRHYSA-N 2 2 258.409 3.093 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766710 543362537 /nfs/dbraw/zinc/36/25/37/543362537.db2.gz OITSFJFLOGKOOY-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000675766710 543362538 /nfs/dbraw/zinc/36/25/38/543362538.db2.gz OITSFJFLOGKOOY-GDBMZVCRSA-N 2 2 260.425 3.037 20 0 CGADLP CCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccccn1 ZINC000675816113 543366877 /nfs/dbraw/zinc/36/68/77/543366877.db2.gz KWJLFFPGKCEGAX-QGZVFWFLSA-N 2 2 275.440 3.387 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724384 543358136 /nfs/dbraw/zinc/35/81/36/543358136.db2.gz PPLGKIXXBNHWSV-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000675724384 543358137 /nfs/dbraw/zinc/35/81/37/543358137.db2.gz PPLGKIXXBNHWSV-COPLHBTASA-N 2 2 286.341 3.306 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccccn1 ZINC000675816112 543366996 /nfs/dbraw/zinc/36/69/96/543366996.db2.gz KWJLFFPGKCEGAX-KRWDZBQOSA-N 2 2 275.440 3.387 20 0 CGADLP CCC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917618 543373434 /nfs/dbraw/zinc/37/34/34/543373434.db2.gz DGKJIVUQZWISBR-GOEBONIOSA-N 2 2 271.408 3.482 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675917464 543373550 /nfs/dbraw/zinc/37/35/50/543373550.db2.gz BTCWHRUDZSAABK-ZBFHGGJFSA-N 2 2 271.408 3.338 20 0 CGADLP C[C@@H](CC1CC1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675919862 543373592 /nfs/dbraw/zinc/37/35/92/543373592.db2.gz JHNOGOGMHWQDHH-YOEHRIQHSA-N 2 2 283.419 3.482 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H](C)Cc3cccs3)[nH+]c12 ZINC000675925499 543374093 /nfs/dbraw/zinc/37/40/93/543374093.db2.gz WNYHTKNUAFBVRV-CQSZACIVSA-N 2 2 299.443 3.468 20 0 CGADLP C[C@H](CC1CCCC1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000676871364 543420902 /nfs/dbraw/zinc/42/09/02/543420902.db2.gz IHOFEPAAGAEZRL-HUUCEWRRSA-N 2 2 252.446 3.419 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000358712466 292169149 /nfs/dbraw/zinc/16/91/49/292169149.db2.gz IHHBBFZGOGEMNJ-OAHLLOKOSA-N 2 2 282.472 3.044 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000677749158 543463338 /nfs/dbraw/zinc/46/33/38/543463338.db2.gz IKCXXCSTHZZPOF-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000677749158 543463339 /nfs/dbraw/zinc/46/33/39/543463339.db2.gz IKCXXCSTHZZPOF-QGZVFWFLSA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677749377 543463397 /nfs/dbraw/zinc/46/33/97/543463397.db2.gz ZJRPDLDEBIUIIX-QGZVFWFLSA-N 2 2 298.430 3.465 20 0 CGADLP CC1(C)C[C@@H]([NH2+]CCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677749377 543463400 /nfs/dbraw/zinc/46/34/00/543463400.db2.gz ZJRPDLDEBIUIIX-QGZVFWFLSA-N 2 2 298.430 3.465 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2c(C)noc2C)CC1 ZINC000678773948 543556549 /nfs/dbraw/zinc/55/65/49/543556549.db2.gz CQTBCKISZILRFA-OAHLLOKOSA-N 2 2 279.428 3.207 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C(C)C)cc1 ZINC000678683075 543549115 /nfs/dbraw/zinc/54/91/15/543549115.db2.gz KZLMNMRFHCZBSG-DOTOQJQBSA-N 2 2 276.424 3.076 20 0 CGADLP COc1ccc([C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C(C)C)cc1 ZINC000678683075 543549116 /nfs/dbraw/zinc/54/91/16/543549116.db2.gz KZLMNMRFHCZBSG-DOTOQJQBSA-N 2 2 276.424 3.076 20 0 CGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000678937381 543574869 /nfs/dbraw/zinc/57/48/69/543574869.db2.gz RLSQLNUGSDXSRV-INIZCTEOSA-N 2 2 269.392 3.236 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000554093128 289258199 /nfs/dbraw/zinc/25/81/99/289258199.db2.gz VOZNMIMVOXVEQC-FIQHERPVSA-N 2 2 286.872 3.433 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000556857231 289413952 /nfs/dbraw/zinc/41/39/52/289413952.db2.gz QDQIGVJUFSVFST-BZSNNMDCSA-N 2 2 274.452 3.184 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017930 543583094 /nfs/dbraw/zinc/58/30/94/543583094.db2.gz ZNUIXWXNCKLOEV-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017930 543583095 /nfs/dbraw/zinc/58/30/95/543583095.db2.gz ZNUIXWXNCKLOEV-SUMWQHHRSA-N 2 2 288.410 3.277 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000423475783 286864138 /nfs/dbraw/zinc/86/41/38/286864138.db2.gz SCCNSMQXAHUWSW-ZYHUDNBSSA-N 2 2 270.829 3.204 20 0 CGADLP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(F)cn1 ZINC000161794207 286906430 /nfs/dbraw/zinc/90/64/30/286906430.db2.gz VRALVRODZNWPII-OAHLLOKOSA-N 2 2 279.403 3.137 20 0 CGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081637173 287075611 /nfs/dbraw/zinc/07/56/11/287075611.db2.gz NHTYGCKIDDSYDM-SJORKVTESA-N 2 2 264.457 3.277 20 0 CGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccco2)cc1F ZINC000063549028 165030846 /nfs/dbraw/zinc/03/08/46/165030846.db2.gz TWICAQVKVZTASJ-UHFFFAOYSA-N 2 2 285.322 3.203 20 0 CGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000069160363 165048935 /nfs/dbraw/zinc/04/89/35/165048935.db2.gz QOGNXMYFZNTWQI-SQWLQELKSA-N 2 2 276.424 3.225 20 0 CGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000069160363 165048937 /nfs/dbraw/zinc/04/89/37/165048937.db2.gz QOGNXMYFZNTWQI-SQWLQELKSA-N 2 2 276.424 3.225 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573160 165166496 /nfs/dbraw/zinc/16/64/96/165166496.db2.gz YBZVEDJLPBHONF-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000081573160 165166498 /nfs/dbraw/zinc/16/64/98/165166498.db2.gz YBZVEDJLPBHONF-RDJZCZTQSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nccs1 ZINC000091725839 165270239 /nfs/dbraw/zinc/27/02/39/165270239.db2.gz WYDLRXOKAIQSJR-NWDGAFQWSA-N 2 2 269.458 3.160 20 0 CGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959745 165280310 /nfs/dbraw/zinc/28/03/10/165280310.db2.gz XYBDTKPNESABAC-CZUORRHYSA-N 2 2 273.380 3.122 20 0 CGADLP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959745 165280314 /nfs/dbraw/zinc/28/03/14/165280314.db2.gz XYBDTKPNESABAC-CZUORRHYSA-N 2 2 273.380 3.122 20 0 CGADLP Cc1ccsc1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000094879627 165393964 /nfs/dbraw/zinc/39/39/64/165393964.db2.gz LYWITLXKFRPDKD-HNNXBMFYSA-N 2 2 272.417 3.033 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000135440390 165441549 /nfs/dbraw/zinc/44/15/49/165441549.db2.gz XMBGMBBEMVFYJS-UHFFFAOYSA-N 2 2 272.795 3.301 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638657 287118079 /nfs/dbraw/zinc/11/80/79/287118079.db2.gz HGBPUEHYTMRZHT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638657 287118081 /nfs/dbraw/zinc/11/80/81/287118081.db2.gz HGBPUEHYTMRZHT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638657 287118082 /nfs/dbraw/zinc/11/80/82/287118082.db2.gz HGBPUEHYTMRZHT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2F)[C@H](C)C1 ZINC000093638657 287118083 /nfs/dbraw/zinc/11/80/83/287118083.db2.gz HGBPUEHYTMRZHT-PBHICJAKSA-N 2 2 278.415 3.296 20 0 CGADLP C[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000177195368 165614330 /nfs/dbraw/zinc/61/43/30/165614330.db2.gz CQPTZOBJYVACQS-RHSMWYFYSA-N 2 2 258.409 3.212 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262007717 165845096 /nfs/dbraw/zinc/84/50/96/165845096.db2.gz LYQJBHMKSMTGEO-KXBFYZLASA-N 2 2 296.414 3.045 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000262007717 165845100 /nfs/dbraw/zinc/84/51/00/165845100.db2.gz LYQJBHMKSMTGEO-KXBFYZLASA-N 2 2 296.414 3.045 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000119045359 287164040 /nfs/dbraw/zinc/16/40/40/287164040.db2.gz WRDAVEHHIMEOLW-PBHICJAKSA-N 2 2 278.440 3.466 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CC(C)C ZINC000020186661 171050582 /nfs/dbraw/zinc/05/05/82/171050582.db2.gz HUEARBAHKKPOOJ-ZDUSSCGKSA-N 2 2 259.397 3.369 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc(F)c1 ZINC000020186591 171050647 /nfs/dbraw/zinc/05/06/47/171050647.db2.gz HXPVOBIWUMOJEJ-UHFFFAOYSA-N 2 2 283.350 3.274 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OCC)CC1 ZINC000020189533 171056025 /nfs/dbraw/zinc/05/60/25/171056025.db2.gz GZJBKZKESBMRLT-UHFFFAOYSA-N 2 2 276.424 3.049 20 0 CGADLP CCC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000020189613 171056094 /nfs/dbraw/zinc/05/60/94/171056094.db2.gz XFKWPIGMHKBQAK-CJNGLKHVSA-N 2 2 276.424 3.367 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020306341 171143027 /nfs/dbraw/zinc/14/30/27/171143027.db2.gz LIRHKZMBAUPJEH-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000020306341 171143029 /nfs/dbraw/zinc/14/30/29/171143029.db2.gz LIRHKZMBAUPJEH-VJFUWPCTSA-N 2 2 272.436 3.429 20 0 CGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000285001942 196175304 /nfs/dbraw/zinc/17/53/04/196175304.db2.gz YVHSZKKXKFOBQB-ROUUACIJSA-N 2 2 297.402 3.016 20 0 CGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000285001942 196175305 /nfs/dbraw/zinc/17/53/05/196175305.db2.gz YVHSZKKXKFOBQB-ROUUACIJSA-N 2 2 297.402 3.016 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732805 172384091 /nfs/dbraw/zinc/38/40/91/172384091.db2.gz MYBLQXXODIOIFQ-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000035732805 172384093 /nfs/dbraw/zinc/38/40/93/172384093.db2.gz MYBLQXXODIOIFQ-YOEHRIQHSA-N 2 2 258.409 3.039 20 0 CGADLP CC(C)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000037255569 173066971 /nfs/dbraw/zinc/06/69/71/173066971.db2.gz WEFZOQWLXVFCNM-AWEZNQCLSA-N 2 2 257.381 3.397 20 0 CGADLP CCC[N@H+](Cc1csc(C(C)(C)C)n1)C1CC[NH2+]CC1 ZINC000037538912 173258264 /nfs/dbraw/zinc/25/82/64/173258264.db2.gz SQWBTZRZDDSXSF-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP CCC[N@@H+](Cc1csc(C(C)(C)C)n1)C1CC[NH2+]CC1 ZINC000037538912 173258265 /nfs/dbraw/zinc/25/82/65/173258265.db2.gz SQWBTZRZDDSXSF-UHFFFAOYSA-N 2 2 295.496 3.405 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028495 174017254 /nfs/dbraw/zinc/01/72/54/174017254.db2.gz XCOOVVVTNSJWTL-IAGOWNOFSA-N 2 2 274.452 3.472 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000038029063 174018922 /nfs/dbraw/zinc/01/89/22/174018922.db2.gz XHLLMZJZSFSMND-CRAIPNDOSA-N 2 2 272.436 3.008 20 0 CGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(F)c1F ZINC000127465891 287288507 /nfs/dbraw/zinc/28/85/07/287288507.db2.gz OWWHSGPBDMFTCM-ZDUSSCGKSA-N 2 2 282.378 3.491 20 0 CGADLP Cc1ccccc1C1CC([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000127492028 287289157 /nfs/dbraw/zinc/28/91/57/287289157.db2.gz NTRDDLNYLMHRQI-FHERZECASA-N 2 2 272.436 3.313 20 0 CGADLP Cc1ccccc1C1CC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000127492028 287289159 /nfs/dbraw/zinc/28/91/59/287289159.db2.gz NTRDDLNYLMHRQI-FHERZECASA-N 2 2 272.436 3.313 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000043326264 175007391 /nfs/dbraw/zinc/00/73/91/175007391.db2.gz JPRJLXZSFITNIL-UONOGXRCSA-N 2 2 297.240 3.242 20 0 CGADLP Clc1sccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000312569904 416534759 /nfs/dbraw/zinc/53/47/59/416534759.db2.gz IDOHYCBVOFZWKA-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP Clc1sccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000312569904 416534765 /nfs/dbraw/zinc/53/47/65/416534765.db2.gz IDOHYCBVOFZWKA-YPMHNXCESA-N 2 2 284.856 3.366 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1CC[NH3+] ZINC000404453496 416555709 /nfs/dbraw/zinc/55/57/09/416555709.db2.gz ZUAGYIQJVDFAFX-YGRLFVJLSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1CC[NH3+] ZINC000404453496 416555712 /nfs/dbraw/zinc/55/57/12/416555712.db2.gz ZUAGYIQJVDFAFX-YGRLFVJLSA-N 2 2 286.341 3.053 20 0 CGADLP C[C@@]1([NH2+]Cc2ccc(O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406002283 416559754 /nfs/dbraw/zinc/55/97/54/416559754.db2.gz NZCQIVBYCGGGJK-LJQANCHMSA-N 2 2 296.414 3.146 20 0 CGADLP C[C@@]1([NH2+]Cc2ccc(O)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406002283 416559760 /nfs/dbraw/zinc/55/97/60/416559760.db2.gz NZCQIVBYCGGGJK-LJQANCHMSA-N 2 2 296.414 3.146 20 0 CGADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000679216440 543599953 /nfs/dbraw/zinc/59/99/53/543599953.db2.gz VJCIZOSTZNIPNH-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP Cc1cccc(CCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000679216440 543599954 /nfs/dbraw/zinc/59/99/54/543599954.db2.gz VJCIZOSTZNIPNH-GOSISDBHSA-N 2 2 283.419 3.461 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130222519 287347959 /nfs/dbraw/zinc/34/79/59/287347959.db2.gz GGGUHSUAAJOGFR-HOTGVXAUSA-N 2 2 260.425 3.253 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000679444111 543637034 /nfs/dbraw/zinc/63/70/34/543637034.db2.gz QQAPCSXIDPJILB-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000679444111 543637036 /nfs/dbraw/zinc/63/70/36/543637036.db2.gz QQAPCSXIDPJILB-OAGGEKHMSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000679577553 543648705 /nfs/dbraw/zinc/64/87/05/543648705.db2.gz SKGXQDNCVWMJIV-NSHDSACASA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)CC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680327242 543697668 /nfs/dbraw/zinc/69/76/68/543697668.db2.gz OWBKPDXORZVDJJ-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP CC(C)CC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680327242 543697669 /nfs/dbraw/zinc/69/76/69/543697669.db2.gz OWBKPDXORZVDJJ-UHFFFAOYSA-N 2 2 263.410 3.412 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000679926247 543668631 /nfs/dbraw/zinc/66/86/31/543668631.db2.gz ADIMTOJSKLJFFG-HNNXBMFYSA-N 2 2 266.454 3.143 20 0 CGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000679926247 543668634 /nfs/dbraw/zinc/66/86/34/543668634.db2.gz ADIMTOJSKLJFFG-HNNXBMFYSA-N 2 2 266.454 3.143 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368903 543705140 /nfs/dbraw/zinc/70/51/40/543705140.db2.gz QWUBKVVFXUOPTH-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000680368903 543705141 /nfs/dbraw/zinc/70/51/41/543705141.db2.gz QWUBKVVFXUOPTH-HKUYNNGSSA-N 2 2 286.463 3.425 20 0 CGADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000682131602 543827186 /nfs/dbraw/zinc/82/71/86/543827186.db2.gz AFPQMURMWXWOKF-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000682131602 543827189 /nfs/dbraw/zinc/82/71/89/543827189.db2.gz AFPQMURMWXWOKF-FGTMMUONSA-N 2 2 272.436 3.181 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681547835 543793553 /nfs/dbraw/zinc/79/35/53/543793553.db2.gz POYMZROKEKUNFS-CRAIPNDOSA-N 2 2 285.435 3.007 20 0 CGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681547835 543793556 /nfs/dbraw/zinc/79/35/56/543793556.db2.gz POYMZROKEKUNFS-CRAIPNDOSA-N 2 2 285.435 3.007 20 0 CGADLP Oc1cccc2c(N3CCC(c4[nH]cc[nH+]4)CC3)cc[nH+]c12 ZINC000682239142 543835580 /nfs/dbraw/zinc/83/55/80/543835580.db2.gz YMLGRTQOLYFLCY-UHFFFAOYSA-N 2 2 294.358 3.048 20 0 CGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)CCCCO)[NH+](C)C ZINC000682377999 543838355 /nfs/dbraw/zinc/83/83/55/543838355.db2.gz BZXJXSSLPYVKLY-NUJGCVRESA-N 2 2 292.467 3.127 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000131248366 287374070 /nfs/dbraw/zinc/37/40/70/287374070.db2.gz QWQZFRJEIRTDQB-PVAVHDDUSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000131248366 287374072 /nfs/dbraw/zinc/37/40/72/287374072.db2.gz QWQZFRJEIRTDQB-PVAVHDDUSA-N 2 2 272.436 3.395 20 0 CGADLP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)C1 ZINC000682642023 543855675 /nfs/dbraw/zinc/85/56/75/543855675.db2.gz JPNMNIOLBFGBES-UPTPFMHGSA-N 2 2 292.467 3.085 20 0 CGADLP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)C1 ZINC000682642023 543855679 /nfs/dbraw/zinc/85/56/79/543855679.db2.gz JPNMNIOLBFGBES-UPTPFMHGSA-N 2 2 292.467 3.085 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000682765471 543866218 /nfs/dbraw/zinc/86/62/18/543866218.db2.gz BPJYMDHZMTWNMD-OAHLLOKOSA-N 2 2 270.461 3.044 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000682765471 543866219 /nfs/dbraw/zinc/86/62/19/543866219.db2.gz BPJYMDHZMTWNMD-OAHLLOKOSA-N 2 2 270.461 3.044 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100266 533681622 /nfs/dbraw/zinc/68/16/22/533681622.db2.gz HDJZWDWFBHSQER-GXTWGEPZSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100266 533681631 /nfs/dbraw/zinc/68/16/31/533681631.db2.gz HDJZWDWFBHSQER-GXTWGEPZSA-N 2 2 287.382 3.017 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684114345 543968587 /nfs/dbraw/zinc/96/85/87/543968587.db2.gz YYPNQYKOXANVPU-ZFWWWQNUSA-N 2 2 280.481 3.389 20 0 CGADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684114345 543968590 /nfs/dbraw/zinc/96/85/90/543968590.db2.gz YYPNQYKOXANVPU-ZFWWWQNUSA-N 2 2 280.481 3.389 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@H+](CC)C[C@H]2C)c[nH+]1 ZINC000132184106 287398869 /nfs/dbraw/zinc/39/88/69/287398869.db2.gz WSJMSEMOVFVJLN-ZBFHGGJFSA-N 2 2 290.455 3.070 20 0 CGADLP CCN(CC)c1ccc(N[C@H]2CC[N@@H+](CC)C[C@H]2C)c[nH+]1 ZINC000132184106 287398870 /nfs/dbraw/zinc/39/88/70/287398870.db2.gz WSJMSEMOVFVJLN-ZBFHGGJFSA-N 2 2 290.455 3.070 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000683814712 543943848 /nfs/dbraw/zinc/94/38/48/543943848.db2.gz OMUXENFYNKVCAU-WBVHZDCISA-N 2 2 287.407 3.029 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000684022130 543960917 /nfs/dbraw/zinc/96/09/17/543960917.db2.gz GZUKBXGIHDYUEJ-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000684022130 543960920 /nfs/dbraw/zinc/96/09/20/543960920.db2.gz GZUKBXGIHDYUEJ-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP Clc1cscc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025921 543961642 /nfs/dbraw/zinc/96/16/42/543961642.db2.gz NMYIEFXVIPWOJD-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP Clc1cscc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000684025921 543961644 /nfs/dbraw/zinc/96/16/44/543961644.db2.gz NMYIEFXVIPWOJD-CYBMUJFWSA-N 2 2 294.807 3.450 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000685463058 544075667 /nfs/dbraw/zinc/07/56/67/544075667.db2.gz MAQOPGFBHJLSSJ-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000685463058 544075670 /nfs/dbraw/zinc/07/56/70/544075670.db2.gz MAQOPGFBHJLSSJ-JTQLQIEISA-N 2 2 281.812 3.125 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000134651349 287451407 /nfs/dbraw/zinc/45/14/07/287451407.db2.gz RYIIIUSTRNEPTD-GFCCVEGCSA-N 2 2 281.469 3.014 20 0 CGADLP CCn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000417977513 227350478 /nfs/dbraw/zinc/35/04/78/227350478.db2.gz ZRAFDVYUEHGWKI-UHFFFAOYSA-N 2 2 295.390 3.279 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352402 418955650 /nfs/dbraw/zinc/95/56/50/418955650.db2.gz QIBXQNPQUDBIFN-IGCXYCKISA-N 2 2 291.439 3.094 20 0 CGADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352402 418955654 /nfs/dbraw/zinc/95/56/54/418955654.db2.gz QIBXQNPQUDBIFN-IGCXYCKISA-N 2 2 291.439 3.094 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659856937 419014483 /nfs/dbraw/zinc/01/44/83/419014483.db2.gz DXSIEDQUYPXLQH-OAGGEKHMSA-N 2 2 252.446 3.085 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659856937 419014486 /nfs/dbraw/zinc/01/44/86/419014486.db2.gz DXSIEDQUYPXLQH-OAGGEKHMSA-N 2 2 252.446 3.085 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834060 419012623 /nfs/dbraw/zinc/01/26/23/419012623.db2.gz SVWINNVUNAECLI-MRXNPFEDSA-N 2 2 275.440 3.196 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834060 419012627 /nfs/dbraw/zinc/01/26/27/419012627.db2.gz SVWINNVUNAECLI-MRXNPFEDSA-N 2 2 275.440 3.196 20 0 CGADLP c1cc2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000655856573 419124551 /nfs/dbraw/zinc/12/45/51/419124551.db2.gz NVCSCWAEBCTICJ-SJORKVTESA-N 2 2 283.419 3.274 20 0 CGADLP c1cc2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2[nH]1 ZINC000655856573 419124553 /nfs/dbraw/zinc/12/45/53/419124553.db2.gz NVCSCWAEBCTICJ-SJORKVTESA-N 2 2 283.419 3.274 20 0 CGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@H](C)SC3)cn21 ZINC000655792867 419098349 /nfs/dbraw/zinc/09/83/49/419098349.db2.gz RRYRMDZYGYIWQA-DZGCQCFKSA-N 2 2 289.448 3.059 20 0 CGADLP CCSc1ccccc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277801 419100323 /nfs/dbraw/zinc/10/03/23/419100323.db2.gz MCRFCQQKLHFWSK-FUJMWEONSA-N 2 2 276.449 3.201 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655858500 419124721 /nfs/dbraw/zinc/12/47/21/419124721.db2.gz YVMKALVDTPQVRV-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655858500 419124724 /nfs/dbraw/zinc/12/47/24/419124724.db2.gz YVMKALVDTPQVRV-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc2)cc1 ZINC000665278659 419100946 /nfs/dbraw/zinc/10/09/46/419100946.db2.gz LKUWXPFPQNQUMK-NQKNOSNGSA-N 2 2 292.426 3.426 20 0 CGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000653876238 419101806 /nfs/dbraw/zinc/10/18/06/419101806.db2.gz GGDPPUKVHVLWAX-MSOLQXFVSA-N 2 2 299.418 3.310 20 0 CGADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000660239759 419107463 /nfs/dbraw/zinc/10/74/63/419107463.db2.gz SRUJYMSVSBPQJN-KDOFPFPSSA-N 2 2 299.418 3.338 20 0 CGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000665297747 419110376 /nfs/dbraw/zinc/11/03/76/419110376.db2.gz LBMNYIGGJUTQOL-QMTHXVAHSA-N 2 2 272.795 3.374 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000665297150 419110831 /nfs/dbraw/zinc/11/08/31/419110831.db2.gz ACMKBGJICOJGDA-AWEZNQCLSA-N 2 2 280.415 3.072 20 0 CGADLP CC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)[C@H]1CCCCO1 ZINC000655857262 419125132 /nfs/dbraw/zinc/12/51/32/419125132.db2.gz UMBMYZYKMUFEHI-JKSUJKDBSA-N 2 2 287.407 3.080 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)o1 ZINC000660257672 419114510 /nfs/dbraw/zinc/11/45/10/419114510.db2.gz VRCGOVASCJAWCX-SWLSCSKDSA-N 2 2 291.439 3.034 20 0 CGADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)o1 ZINC000660257672 419114515 /nfs/dbraw/zinc/11/45/15/419114515.db2.gz VRCGOVASCJAWCX-SWLSCSKDSA-N 2 2 291.439 3.034 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849531 419121043 /nfs/dbraw/zinc/12/10/43/419121043.db2.gz WQHPQKHYWIHXPX-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849531 419121047 /nfs/dbraw/zinc/12/10/47/419121047.db2.gz WQHPQKHYWIHXPX-FVQBIDKESA-N 2 2 250.430 3.172 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655854986 419123329 /nfs/dbraw/zinc/12/33/29/419123329.db2.gz BSRJNWXMTLINJL-JEUJKCLLSA-N 2 2 270.420 3.306 20 0 CGADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655854986 419123331 /nfs/dbraw/zinc/12/33/31/419123331.db2.gz BSRJNWXMTLINJL-JEUJKCLLSA-N 2 2 270.420 3.306 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590061 419055171 /nfs/dbraw/zinc/05/51/71/419055171.db2.gz LZBBYQGCAKVLLK-KBXCAEBGSA-N 2 2 295.430 3.459 20 0 CGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590061 419055174 /nfs/dbraw/zinc/05/51/74/419055174.db2.gz LZBBYQGCAKVLLK-KBXCAEBGSA-N 2 2 295.430 3.459 20 0 CGADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719409 419075403 /nfs/dbraw/zinc/07/54/03/419075403.db2.gz SPRSHQYEWZNDSN-RDJZCZTQSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1c[nH+]c(CCNc2[nH]c3ccccc3[nH+]2)c(C)c1 ZINC000656211178 419151115 /nfs/dbraw/zinc/15/11/15/419151115.db2.gz RVCSJTALEYGRGY-UHFFFAOYSA-N 2 2 266.348 3.229 20 0 CGADLP C1=C[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474295 419151170 /nfs/dbraw/zinc/15/11/70/419151170.db2.gz HPVHNUWKSDDZSA-MSOLQXFVSA-N 2 2 292.467 3.062 20 0 CGADLP C1=C[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000660474295 419151172 /nfs/dbraw/zinc/15/11/72/419151172.db2.gz HPVHNUWKSDDZSA-MSOLQXFVSA-N 2 2 292.467 3.062 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000660489828 419152211 /nfs/dbraw/zinc/15/22/11/419152211.db2.gz MFFJGTQHRPHGBI-DLBZAZTESA-N 2 2 258.409 3.378 20 0 CGADLP CC(C)=CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000660489828 419152214 /nfs/dbraw/zinc/15/22/14/419152214.db2.gz MFFJGTQHRPHGBI-DLBZAZTESA-N 2 2 258.409 3.378 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000656276554 419164035 /nfs/dbraw/zinc/16/40/35/419164035.db2.gz HAXGQLZPMDKKFT-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000656276554 419164037 /nfs/dbraw/zinc/16/40/37/419164037.db2.gz HAXGQLZPMDKKFT-NXHRZFHOSA-N 2 2 272.436 3.397 20 0 CGADLP c1cn(-c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)c[nH+]1 ZINC000656493771 419178000 /nfs/dbraw/zinc/17/80/00/419178000.db2.gz QJLNJKWXPOUGCY-UHFFFAOYSA-N 2 2 267.376 3.295 20 0 CGADLP C[C@H](c1cccnc1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675453 419181231 /nfs/dbraw/zinc/18/12/31/419181231.db2.gz FFYGAESXMKNEAW-MRXNPFEDSA-N 2 2 295.430 3.397 20 0 CGADLP CC(C)CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657393231 419269043 /nfs/dbraw/zinc/26/90/43/419269043.db2.gz QPNWSWOXPUKKCO-UHFFFAOYSA-N 2 2 261.413 3.135 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000657334287 419252678 /nfs/dbraw/zinc/25/26/78/419252678.db2.gz UHLXLAOTYVLDSC-OAGGEKHMSA-N 2 2 263.429 3.468 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657337295 419253526 /nfs/dbraw/zinc/25/35/26/419253526.db2.gz PRGOXMUPHHJICI-AWEZNQCLSA-N 2 2 299.418 3.469 20 0 CGADLP CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657345147 419255873 /nfs/dbraw/zinc/25/58/73/419255873.db2.gz IFDSQKAFTPAKBQ-ZFWWWQNUSA-N 2 2 261.413 3.278 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657344970 419256082 /nfs/dbraw/zinc/25/60/82/419256082.db2.gz FJOYBSOZIBCHCR-MRXNPFEDSA-N 2 2 283.419 3.330 20 0 CGADLP CC(C)(CCc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657356310 419258841 /nfs/dbraw/zinc/25/88/41/419258841.db2.gz KBLDMVHPGGNPPD-UHFFFAOYSA-N 2 2 283.419 3.330 20 0 CGADLP C[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCCc2ccccc21 ZINC000657368348 419261679 /nfs/dbraw/zinc/26/16/79/419261679.db2.gz VYDSJOINKJYGOV-GOSISDBHSA-N 2 2 281.403 3.171 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675257 419198111 /nfs/dbraw/zinc/19/81/11/419198111.db2.gz BLFHEHYGGQNCQB-IUODEOHRSA-N 2 2 264.388 3.349 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000656675257 419198114 /nfs/dbraw/zinc/19/81/14/419198114.db2.gz BLFHEHYGGQNCQB-IUODEOHRSA-N 2 2 264.388 3.349 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783686 419218678 /nfs/dbraw/zinc/21/86/78/419218678.db2.gz UIROUGVLLVQEEC-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783686 419218679 /nfs/dbraw/zinc/21/86/79/419218679.db2.gz UIROUGVLLVQEEC-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420596 419273940 /nfs/dbraw/zinc/27/39/40/419273940.db2.gz DSUDBPNHHFRMGZ-FZKQIMNGSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)[C@H](C)C2 ZINC000657429171 419276580 /nfs/dbraw/zinc/27/65/80/419276580.db2.gz DLZISOUWIPFOAN-ACJLOTCBSA-N 2 2 281.403 3.161 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657479063 419289357 /nfs/dbraw/zinc/28/93/57/419289357.db2.gz QDLYKNRUNNHXPY-KGLIPLIRSA-N 2 2 261.413 3.135 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)s1 ZINC000657523153 419296945 /nfs/dbraw/zinc/29/69/45/419296945.db2.gz DTUAHTSCRFUMSE-LBPRGKRZSA-N 2 2 266.454 3.273 20 0 CGADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)s1 ZINC000657523153 419296948 /nfs/dbraw/zinc/29/69/48/419296948.db2.gz DTUAHTSCRFUMSE-LBPRGKRZSA-N 2 2 266.454 3.273 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000657523027 419297654 /nfs/dbraw/zinc/29/76/54/419297654.db2.gz CMBLDDIWJXDHEF-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000657523027 419297657 /nfs/dbraw/zinc/29/76/57/419297657.db2.gz CMBLDDIWJXDHEF-OAHLLOKOSA-N 2 2 283.419 3.197 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000657526891 419298909 /nfs/dbraw/zinc/29/89/09/419298909.db2.gz OUQBTMDPUHGPKP-ISZGNANSSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000657526891 419298911 /nfs/dbraw/zinc/29/89/11/419298911.db2.gz OUQBTMDPUHGPKP-ISZGNANSSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000657526869 419298923 /nfs/dbraw/zinc/29/89/23/419298923.db2.gz NWKVFSJBYVTXBM-MBVDDHJVSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000657526869 419298926 /nfs/dbraw/zinc/29/89/26/419298926.db2.gz NWKVFSJBYVTXBM-MBVDDHJVSA-N 2 2 294.389 3.440 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657561423 419304522 /nfs/dbraw/zinc/30/45/22/419304522.db2.gz IEPUXZSVRMFQSL-CABCVRRESA-N 2 2 288.435 3.015 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657561423 419304523 /nfs/dbraw/zinc/30/45/23/419304523.db2.gz IEPUXZSVRMFQSL-CABCVRRESA-N 2 2 288.435 3.015 20 0 CGADLP Fc1ccc([C@H]2CC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000661515607 419270011 /nfs/dbraw/zinc/27/00/11/419270011.db2.gz YJZMZCCUYGYRSL-QGZVFWFLSA-N 2 2 276.399 3.449 20 0 CGADLP Fc1ccc([C@H]2CC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000661515607 419270013 /nfs/dbraw/zinc/27/00/13/419270013.db2.gz YJZMZCCUYGYRSL-QGZVFWFLSA-N 2 2 276.399 3.449 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)n1-c1ccccc1 ZINC000657667780 419324188 /nfs/dbraw/zinc/32/41/88/419324188.db2.gz RONJADJDSUQGDQ-KDOFPFPSSA-N 2 2 299.418 3.228 20 0 CGADLP Cc1cccn2c(C[NH2+]CC[C@]3(C)CC3(F)F)c[nH+]c12 ZINC000657671094 419325946 /nfs/dbraw/zinc/32/59/46/419325946.db2.gz KMYUTRJHPATOKY-CQSZACIVSA-N 2 2 279.334 3.168 20 0 CGADLP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(C)C ZINC000418100257 228049696 /nfs/dbraw/zinc/04/96/96/228049696.db2.gz OFIPNBROTUTIQQ-CQSZACIVSA-N 2 2 293.436 3.085 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@@H+]1C1CC1 ZINC000657717342 419332254 /nfs/dbraw/zinc/33/22/54/419332254.db2.gz PKSPLIYEPLDAJG-OYNVLQORSA-N 2 2 284.394 3.169 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C[N@H+]1C1CC1 ZINC000657717342 419332257 /nfs/dbraw/zinc/33/22/57/419332257.db2.gz PKSPLIYEPLDAJG-OYNVLQORSA-N 2 2 284.394 3.169 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C2CCC(C3CCC3)CC2)n1C ZINC000657784193 419348882 /nfs/dbraw/zinc/34/88/82/419348882.db2.gz OMUXRASSXMAKSW-UHFFFAOYSA-N 2 2 261.413 3.177 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657879585 419401160 /nfs/dbraw/zinc/40/11/60/419401160.db2.gz LREQZRNTCLDRMG-RYUDHWBXSA-N 2 2 262.388 3.130 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657879585 419401167 /nfs/dbraw/zinc/40/11/67/419401167.db2.gz LREQZRNTCLDRMG-RYUDHWBXSA-N 2 2 262.388 3.130 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657819652 419369453 /nfs/dbraw/zinc/36/94/53/419369453.db2.gz FYEWMJDEILKQEZ-HOTGVXAUSA-N 2 2 278.465 3.165 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nsc2ccccc21 ZINC000662234802 419370964 /nfs/dbraw/zinc/37/09/64/419370964.db2.gz NJAGVRVXEHDKML-DOMZBBRYSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nsc2ccccc21 ZINC000662234802 419370968 /nfs/dbraw/zinc/37/09/68/419370968.db2.gz NJAGVRVXEHDKML-DOMZBBRYSA-N 2 2 289.448 3.041 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657838097 419381335 /nfs/dbraw/zinc/38/13/35/419381335.db2.gz YUUXAIJJUGFILT-FRRDWIJNSA-N 2 2 276.415 3.376 20 0 CGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657838097 419381341 /nfs/dbraw/zinc/38/13/41/419381341.db2.gz YUUXAIJJUGFILT-FRRDWIJNSA-N 2 2 276.415 3.376 20 0 CGADLP COc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1Cl ZINC000662278186 419382644 /nfs/dbraw/zinc/38/26/44/419382644.db2.gz XPLRPUQCIBDYJG-AWEZNQCLSA-N 2 2 296.842 3.346 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000658058150 419528770 /nfs/dbraw/zinc/52/87/70/419528770.db2.gz DCIMLBSQAQUMRV-JKSUJKDBSA-N 2 2 275.440 3.385 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000658058150 419528777 /nfs/dbraw/zinc/52/87/77/419528777.db2.gz DCIMLBSQAQUMRV-JKSUJKDBSA-N 2 2 275.440 3.385 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094101 419568123 /nfs/dbraw/zinc/56/81/23/419568123.db2.gz XNJJJYYBLWILMU-RDJZCZTQSA-N 2 2 274.452 3.470 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094101 419568126 /nfs/dbraw/zinc/56/81/26/419568126.db2.gz XNJJJYYBLWILMU-RDJZCZTQSA-N 2 2 274.452 3.470 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092351 419565408 /nfs/dbraw/zinc/56/54/08/419565408.db2.gz PVUVWGUMTWYYMG-HOTGVXAUSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000658092351 419565411 /nfs/dbraw/zinc/56/54/11/419565411.db2.gz PVUVWGUMTWYYMG-HOTGVXAUSA-N 2 2 292.854 3.270 20 0 CGADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000658036189 419513418 /nfs/dbraw/zinc/51/34/18/419513418.db2.gz BBBOIZKVAUAALV-HNNXBMFYSA-N 2 2 280.843 3.345 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000663508163 419641121 /nfs/dbraw/zinc/64/11/21/419641121.db2.gz LBKATZJWTOJBFH-NSHDSACASA-N 2 2 278.396 3.252 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221613 419677233 /nfs/dbraw/zinc/67/72/33/419677233.db2.gz SRTPMDSLOBMNSS-HOTGVXAUSA-N 2 2 294.389 3.286 20 0 CGADLP C[C@@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000658221613 419677240 /nfs/dbraw/zinc/67/72/40/419677240.db2.gz SRTPMDSLOBMNSS-HOTGVXAUSA-N 2 2 294.389 3.286 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000663578644 419652515 /nfs/dbraw/zinc/65/25/15/419652515.db2.gz ITLIHWJMEQQAQR-NSHDSACASA-N 2 2 287.329 3.163 20 0 CGADLP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000663578644 419652519 /nfs/dbraw/zinc/65/25/19/419652519.db2.gz ITLIHWJMEQQAQR-NSHDSACASA-N 2 2 287.329 3.163 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658283143 419730449 /nfs/dbraw/zinc/73/04/49/419730449.db2.gz APSKEVRRACALPQ-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658283143 419730456 /nfs/dbraw/zinc/73/04/56/419730456.db2.gz APSKEVRRACALPQ-UPTPFMHGSA-N 2 2 294.483 3.331 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286572 419731351 /nfs/dbraw/zinc/73/13/51/419731351.db2.gz AULWSLLMKOWJMK-TZMCWYRMSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000658286572 419731362 /nfs/dbraw/zinc/73/13/62/419731362.db2.gz AULWSLLMKOWJMK-TZMCWYRMSA-N 2 2 296.842 3.484 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@H+](C)C(C)C)c1ccccc1 ZINC000232746616 260277165 /nfs/dbraw/zinc/27/71/65/260277165.db2.gz MXURLNPUQRZAIP-KRWDZBQOSA-N 2 2 262.441 3.356 20 0 CGADLP CC(C)[C@H](C[NH2+]CC[N@@H+](C)C(C)C)c1ccccc1 ZINC000232746616 260277169 /nfs/dbraw/zinc/27/71/69/260277169.db2.gz MXURLNPUQRZAIP-KRWDZBQOSA-N 2 2 262.441 3.356 20 0 CGADLP Clc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000044353190 270035287 /nfs/dbraw/zinc/03/52/87/270035287.db2.gz NRJALORHLXUMLY-UHFFFAOYSA-N 2 2 269.801 3.168 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186880373 270067309 /nfs/dbraw/zinc/06/73/09/270067309.db2.gz REKVSHACDWNSEY-PBHICJAKSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186880373 270067310 /nfs/dbraw/zinc/06/73/10/270067310.db2.gz REKVSHACDWNSEY-PBHICJAKSA-N 2 2 260.425 3.285 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000321228721 270093343 /nfs/dbraw/zinc/09/33/43/270093343.db2.gz LJNDFTCZSVKOER-RDTXWAMCSA-N 2 2 284.403 3.341 20 0 CGADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000321228721 270093344 /nfs/dbraw/zinc/09/33/44/270093344.db2.gz LJNDFTCZSVKOER-RDTXWAMCSA-N 2 2 284.403 3.341 20 0 CGADLP C[C@@H](C[NH2+]CC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000525874820 270120393 /nfs/dbraw/zinc/12/03/93/270120393.db2.gz WVHIKFMIFPLUQE-HNNXBMFYSA-N 2 2 278.415 3.251 20 0 CGADLP FC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000525981561 270121940 /nfs/dbraw/zinc/12/19/40/270121940.db2.gz BSHPXZHKSLCHCM-UHFFFAOYSA-N 2 2 296.817 3.396 20 0 CGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527640816 270130630 /nfs/dbraw/zinc/13/06/30/270130630.db2.gz MLHSCKRIQHKOSQ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527640816 270130631 /nfs/dbraw/zinc/13/06/31/270130631.db2.gz MLHSCKRIQHKOSQ-SNVBAGLBSA-N 2 2 288.769 3.050 20 0 CGADLP Cc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000527695338 270132129 /nfs/dbraw/zinc/13/21/29/270132129.db2.gz BGXCQZKAOPTPJO-QFBILLFUSA-N 2 2 297.446 3.479 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@@H+]1Cc1ccccc1 ZINC000527750425 270134251 /nfs/dbraw/zinc/13/42/51/270134251.db2.gz LGSBKCCGWBYXNZ-QAPCUYQASA-N 2 2 270.420 3.205 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@H+]1Cc1ccccc1 ZINC000527750425 270134252 /nfs/dbraw/zinc/13/42/52/270134252.db2.gz LGSBKCCGWBYXNZ-QAPCUYQASA-N 2 2 270.420 3.205 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000527805761 270137248 /nfs/dbraw/zinc/13/72/48/270137248.db2.gz HVBWLJKATGPFNN-IEBWSBKVSA-N 2 2 284.447 3.150 20 0 CGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C2 ZINC000527805761 270137249 /nfs/dbraw/zinc/13/72/49/270137249.db2.gz HVBWLJKATGPFNN-IEBWSBKVSA-N 2 2 284.447 3.150 20 0 CGADLP Clc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810559 270137712 /nfs/dbraw/zinc/13/77/12/270137712.db2.gz RQBNEQBHKFVMRL-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP Clc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810559 270137713 /nfs/dbraw/zinc/13/77/13/270137713.db2.gz RQBNEQBHKFVMRL-INIZCTEOSA-N 2 2 278.827 3.447 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527862711 270140712 /nfs/dbraw/zinc/14/07/12/270140712.db2.gz HSILOOBODXJFBT-RYQLBKOJSA-N 2 2 284.447 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC12CC2 ZINC000527862711 270140713 /nfs/dbraw/zinc/14/07/13/270140713.db2.gz HSILOOBODXJFBT-RYQLBKOJSA-N 2 2 284.447 3.429 20 0 CGADLP COc1ccc[nH+]c1NCCCC[NH+]1CCC(C)CC1 ZINC000527855956 270139969 /nfs/dbraw/zinc/13/99/69/270139969.db2.gz ZKCHVDLXNPACSA-UHFFFAOYSA-N 2 2 277.412 3.014 20 0 CGADLP Cc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C(C)C)c1 ZINC000527893465 270142372 /nfs/dbraw/zinc/14/23/72/270142372.db2.gz QOEYHTCQEICEGG-AEFFLSMTSA-N 2 2 283.419 3.493 20 0 CGADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000527905150 270143332 /nfs/dbraw/zinc/14/33/32/270143332.db2.gz XURAHQHKKJEOOZ-HNNXBMFYSA-N 2 2 281.403 3.157 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527946343 270146103 /nfs/dbraw/zinc/14/61/03/270146103.db2.gz IDTJQYABUWKPHB-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527946343 270146104 /nfs/dbraw/zinc/14/61/04/270146104.db2.gz IDTJQYABUWKPHB-BMFZPTHFSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944390 270146173 /nfs/dbraw/zinc/14/61/73/270146173.db2.gz CZUKJARDECAAFK-YOEHRIQHSA-N 2 2 276.424 3.207 20 0 CGADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944390 270146174 /nfs/dbraw/zinc/14/61/74/270146174.db2.gz CZUKJARDECAAFK-YOEHRIQHSA-N 2 2 276.424 3.207 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527946948 270146238 /nfs/dbraw/zinc/14/62/38/270146238.db2.gz IZVUCFICKIQAIX-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527946948 270146239 /nfs/dbraw/zinc/14/62/39/270146239.db2.gz IZVUCFICKIQAIX-HZPDHXFCSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954421 270146700 /nfs/dbraw/zinc/14/67/00/270146700.db2.gz ZNZAIUXDUWOKKK-PBHICJAKSA-N 2 2 288.435 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1 ZINC000527954421 270146701 /nfs/dbraw/zinc/14/67/01/270146701.db2.gz ZNZAIUXDUWOKKK-PBHICJAKSA-N 2 2 288.435 3.450 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccs1 ZINC000528008536 270151045 /nfs/dbraw/zinc/15/10/45/270151045.db2.gz FKGGEULHNKHGBU-OCCSQVGLSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccs1 ZINC000528008536 270151046 /nfs/dbraw/zinc/15/10/46/270151046.db2.gz FKGGEULHNKHGBU-OCCSQVGLSA-N 2 2 264.438 3.416 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010164 270151143 /nfs/dbraw/zinc/15/11/43/270151143.db2.gz JCUSWTXNLSECOK-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010164 270151144 /nfs/dbraw/zinc/15/11/44/270151144.db2.gz JCUSWTXNLSECOK-FUHWJXTLSA-N 2 2 288.410 3.420 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528009217 270151209 /nfs/dbraw/zinc/15/12/09/270151209.db2.gz HLIMCNNUPMPTKA-SJLPKXTDSA-N 2 2 270.420 3.280 20 0 CGADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528009217 270151210 /nfs/dbraw/zinc/15/12/10/270151210.db2.gz HLIMCNNUPMPTKA-SJLPKXTDSA-N 2 2 270.420 3.280 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccnc1 ZINC000528011984 270151353 /nfs/dbraw/zinc/15/13/53/270151353.db2.gz NDWUBMMVURNLLQ-ROUUACIJSA-N 2 2 287.451 3.385 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccnc1 ZINC000528011984 270151354 /nfs/dbraw/zinc/15/13/54/270151354.db2.gz NDWUBMMVURNLLQ-ROUUACIJSA-N 2 2 287.451 3.385 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC000528025200 270152047 /nfs/dbraw/zinc/15/20/47/270152047.db2.gz GTABDFOWXSOGMK-SFHVURJKSA-N 2 2 281.403 3.157 20 0 CGADLP C[N@H+]1CCC[C@]2(CCN(c3[nH+]ccc4ccccc43)C2)C1 ZINC000528025200 270152048 /nfs/dbraw/zinc/15/20/48/270152048.db2.gz GTABDFOWXSOGMK-SFHVURJKSA-N 2 2 281.403 3.157 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536736 270183329 /nfs/dbraw/zinc/18/33/29/270183329.db2.gz PVCQVVNTFWXGFY-XJKSGUPXSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529536736 270183330 /nfs/dbraw/zinc/18/33/30/270183330.db2.gz PVCQVVNTFWXGFY-XJKSGUPXSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CC(F)(F)C1 ZINC000529564477 270185079 /nfs/dbraw/zinc/18/50/79/270185079.db2.gz CQJYZQRTTKKUNE-NSHDSACASA-N 2 2 292.333 3.172 20 0 CGADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529642340 270186801 /nfs/dbraw/zinc/18/68/01/270186801.db2.gz VCFOVQNXALIBBU-MXASKKJJSA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529642340 270186802 /nfs/dbraw/zinc/18/68/02/270186802.db2.gz VCFOVQNXALIBBU-MXASKKJJSA-N 2 2 262.441 3.172 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529643220 270186828 /nfs/dbraw/zinc/18/68/28/270186828.db2.gz XJYHMMVSBQLKHO-DOTOQJQBSA-N 2 2 262.441 3.482 20 0 CGADLP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529643220 270186829 /nfs/dbraw/zinc/18/68/29/270186829.db2.gz XJYHMMVSBQLKHO-DOTOQJQBSA-N 2 2 262.441 3.482 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ncccc1F ZINC000530222378 270196542 /nfs/dbraw/zinc/19/65/42/270196542.db2.gz JRFZAEITMLDEIY-JLJPHGGASA-N 2 2 299.393 3.365 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)s1 ZINC000530216582 270195926 /nfs/dbraw/zinc/19/59/26/270195926.db2.gz BRYCVUHHILCBAH-GXSJLCMTSA-N 2 2 270.829 3.337 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(C)ccc1OC ZINC000530219824 270196160 /nfs/dbraw/zinc/19/61/60/270196160.db2.gz NBZYNJXUZYUBHW-WBVHZDCISA-N 2 2 288.435 3.329 20 0 CGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530218371 270196286 /nfs/dbraw/zinc/19/62/86/270196286.db2.gz VYQKBBRKHXPLCH-YOEHRIQHSA-N 2 2 288.435 3.247 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530222184 270196426 /nfs/dbraw/zinc/19/64/26/270196426.db2.gz QVUGSHDOSZYLBG-GDBMZVCRSA-N 2 2 258.409 3.239 20 0 CGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530222190 270196685 /nfs/dbraw/zinc/19/66/85/270196685.db2.gz QVUGSHDOSZYLBG-ZBFHGGJFSA-N 2 2 258.409 3.239 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000531738820 270209151 /nfs/dbraw/zinc/20/91/51/270209151.db2.gz YDKCIVZHGNDJTL-GZBFAFLISA-N 2 2 296.842 3.037 20 0 CGADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000531738820 270209152 /nfs/dbraw/zinc/20/91/52/270209152.db2.gz YDKCIVZHGNDJTL-GZBFAFLISA-N 2 2 296.842 3.037 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)C1CCCCC1 ZINC000531738583 270209209 /nfs/dbraw/zinc/20/92/09/270209209.db2.gz DGTQUUYLUSCDSJ-CTASWTNQSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)C1CCCCC1 ZINC000531738583 270209210 /nfs/dbraw/zinc/20/92/10/270209210.db2.gz DGTQUUYLUSCDSJ-CTASWTNQSA-N 2 2 252.446 3.131 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945259 270210864 /nfs/dbraw/zinc/21/08/64/270210864.db2.gz QDFWHGVXPJZSOC-RDJZCZTQSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000531945259 270210865 /nfs/dbraw/zinc/21/08/65/270210865.db2.gz QDFWHGVXPJZSOC-RDJZCZTQSA-N 2 2 272.436 3.038 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531991937 270212287 /nfs/dbraw/zinc/21/22/87/270212287.db2.gz AGSDPAHKBXSFHL-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000531991937 270212288 /nfs/dbraw/zinc/21/22/88/270212288.db2.gz AGSDPAHKBXSFHL-NVGVWMPQSA-N 2 2 290.838 3.400 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000532530764 270217173 /nfs/dbraw/zinc/21/71/73/270217173.db2.gz OGCAWZNSVRETDA-TZMCWYRMSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000532530764 270217174 /nfs/dbraw/zinc/21/71/74/270217174.db2.gz OGCAWZNSVRETDA-TZMCWYRMSA-N 2 2 264.438 3.057 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc2ccccc21 ZINC000124292995 274209890 /nfs/dbraw/zinc/20/98/90/274209890.db2.gz NQDKLVYSGGYZQK-INIZCTEOSA-N 2 2 298.430 3.040 20 0 CGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000130998680 274244549 /nfs/dbraw/zinc/24/45/49/274244549.db2.gz HPIQXRABAANTBH-CYBMUJFWSA-N 2 2 261.413 3.075 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000423142879 274261779 /nfs/dbraw/zinc/26/17/79/274261779.db2.gz BNSQNEOIUMRINU-GTTSAUCSSA-N 2 2 280.362 3.072 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000342693374 274356493 /nfs/dbraw/zinc/35/64/93/274356493.db2.gz ACFQJDKHLZJRSK-HYVNUMGLSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000342693374 274356494 /nfs/dbraw/zinc/35/64/94/274356494.db2.gz ACFQJDKHLZJRSK-HYVNUMGLSA-N 2 2 287.451 3.070 20 0 CGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)C[C@@H](C)[NH+]1C ZINC000338785752 274366184 /nfs/dbraw/zinc/36/61/84/274366184.db2.gz NVWUWWIWFZCLBY-VXGBXAGGSA-N 2 2 289.810 3.417 20 0 CGADLP c1ccc(N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000121367702 275067503 /nfs/dbraw/zinc/06/75/03/275067503.db2.gz ZNAGXAFPLYKQIA-SFHVURJKSA-N 2 2 293.414 3.328 20 0 CGADLP CC(C)(CC[NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000339568060 275547426 /nfs/dbraw/zinc/54/74/26/275547426.db2.gz JRFWZXGSQXHTAD-UHFFFAOYSA-N 2 2 257.381 3.250 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000335083385 276087170 /nfs/dbraw/zinc/08/71/70/276087170.db2.gz HULLZABGUCDLSG-CABCVRRESA-N 2 2 279.453 3.324 20 0 CGADLP CC(C)n1c[nH+]cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000335083385 276087172 /nfs/dbraw/zinc/08/71/72/276087172.db2.gz HULLZABGUCDLSG-CABCVRRESA-N 2 2 279.453 3.324 20 0 CGADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453398338 276106025 /nfs/dbraw/zinc/10/60/25/276106025.db2.gz MWTZIPZEKRQWPF-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453398338 276106026 /nfs/dbraw/zinc/10/60/26/276106026.db2.gz MWTZIPZEKRQWPF-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094432 276175237 /nfs/dbraw/zinc/17/52/37/276175237.db2.gz RXLKDHYVEPHETC-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453094432 276175238 /nfs/dbraw/zinc/17/52/38/276175238.db2.gz RXLKDHYVEPHETC-CVEARBPZSA-N 2 2 250.430 3.029 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000185671826 276287319 /nfs/dbraw/zinc/28/73/19/276287319.db2.gz SAVGOYVCQSIWFM-LXZKKBNFSA-N 2 2 273.424 3.138 20 0 CGADLP CCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000185671826 276287321 /nfs/dbraw/zinc/28/73/21/276287321.db2.gz SAVGOYVCQSIWFM-LXZKKBNFSA-N 2 2 273.424 3.138 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000423547256 276441242 /nfs/dbraw/zinc/44/12/42/276441242.db2.gz FYEPUKWSBXIMAX-LSDHHAIUSA-N 2 2 250.361 3.009 20 0 CGADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427894112 276574575 /nfs/dbraw/zinc/57/45/75/276574575.db2.gz KHPXKYJNIWFANZ-IAGOWNOFSA-N 2 2 283.419 3.117 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C)cc1 ZINC000427856219 276590740 /nfs/dbraw/zinc/59/07/40/276590740.db2.gz VNKBDWUVTQVDRR-CVEARBPZSA-N 2 2 269.392 3.247 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC1CCOCC1 ZINC000415068143 276695606 /nfs/dbraw/zinc/69/56/06/276695606.db2.gz QHHOCCWXVRNPPD-KBXCAEBGSA-N 2 2 290.451 3.044 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCn2c(cc3ccccc32)C1 ZINC000286818245 277060598 /nfs/dbraw/zinc/06/05/98/277060598.db2.gz ASBCVYWMNDMDBL-QGZVFWFLSA-N 2 2 297.446 3.331 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCn2c(cc3ccccc32)C1 ZINC000286818245 277060599 /nfs/dbraw/zinc/06/05/99/277060599.db2.gz ASBCVYWMNDMDBL-QGZVFWFLSA-N 2 2 297.446 3.331 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286818245 277060601 /nfs/dbraw/zinc/06/06/01/277060601.db2.gz ASBCVYWMNDMDBL-QGZVFWFLSA-N 2 2 297.446 3.331 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286818245 277060602 /nfs/dbraw/zinc/06/06/02/277060602.db2.gz ASBCVYWMNDMDBL-QGZVFWFLSA-N 2 2 297.446 3.331 20 0 CGADLP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000422786948 277280902 /nfs/dbraw/zinc/28/09/02/277280902.db2.gz PIRYRUPROZBWDK-RCBQFDQVSA-N 2 2 296.842 3.148 20 0 CGADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cscn1 ZINC000185159483 277296638 /nfs/dbraw/zinc/29/66/38/277296638.db2.gz NOSHTAGPZAGYQY-UHFFFAOYSA-N 2 2 281.469 3.277 20 0 CGADLP C[NH2+][C@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000133011660 277301184 /nfs/dbraw/zinc/30/11/84/277301184.db2.gz RNUAKZQFXSMCKO-ZDUSSCGKSA-N 2 2 264.372 3.050 20 0 CGADLP C[NH2+][C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000133011660 277301185 /nfs/dbraw/zinc/30/11/85/277301185.db2.gz RNUAKZQFXSMCKO-ZDUSSCGKSA-N 2 2 264.372 3.050 20 0 CGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449224584 277564287 /nfs/dbraw/zinc/56/42/87/277564287.db2.gz MHZYQXVZGKQSND-DLBZAZTESA-N 2 2 294.483 3.190 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000133123873 278027906 /nfs/dbraw/zinc/02/79/06/278027906.db2.gz QNYXDJCHIIOOSY-MCIONIFRSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000133123873 278027908 /nfs/dbraw/zinc/02/79/08/278027908.db2.gz QNYXDJCHIIOOSY-MCIONIFRSA-N 2 2 250.430 3.170 20 0 CGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423389108 278222515 /nfs/dbraw/zinc/22/25/15/278222515.db2.gz NHUSDCXSMAKMMD-IAGOWNOFSA-N 2 2 287.451 3.301 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272027 278277019 /nfs/dbraw/zinc/27/70/19/278277019.db2.gz NQXJNASFGOTPEK-TYNCELHUSA-N 2 2 286.410 3.273 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC(F)(F)CC1 ZINC000353272027 278277021 /nfs/dbraw/zinc/27/70/21/278277021.db2.gz NQXJNASFGOTPEK-TYNCELHUSA-N 2 2 286.410 3.273 20 0 CGADLP COc1ccc2cc(C[NH2+]CC3([NH+](C)C)CC3)ccc2c1 ZINC000397910791 288034733 /nfs/dbraw/zinc/03/47/33/288034733.db2.gz ZYVWJZJYVOILBB-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000400324934 278363748 /nfs/dbraw/zinc/36/37/48/278363748.db2.gz CZCFBQGNHGSBAL-SUNKGSAMSA-N 2 2 252.789 3.131 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cc2cccc(F)c2o1 ZINC000423073456 278363763 /nfs/dbraw/zinc/36/37/63/278363763.db2.gz RMZCLWLRDURNFT-MISXGVKJSA-N 2 2 276.355 3.363 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328161 278372659 /nfs/dbraw/zinc/37/26/59/278372659.db2.gz ISZHYDVPCHRTIP-UKRRQHHQSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCSCC1 ZINC000354328161 278372660 /nfs/dbraw/zinc/37/26/60/278372660.db2.gz ISZHYDVPCHRTIP-UKRRQHHQSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423561799 278381293 /nfs/dbraw/zinc/38/12/93/278381293.db2.gz QDTXIOVUHIFHQT-RISCZKNCSA-N 2 2 252.789 3.133 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC(F)(F)CC1 ZINC000336002958 278387903 /nfs/dbraw/zinc/38/79/03/278387903.db2.gz KIRBQRNVUTXXEP-PWSUYJOCSA-N 2 2 283.366 3.071 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC(F)(F)CC1 ZINC000336002958 278387904 /nfs/dbraw/zinc/38/79/04/278387904.db2.gz KIRBQRNVUTXXEP-PWSUYJOCSA-N 2 2 283.366 3.071 20 0 CGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCc1cn(C)c[nH+]1)CCCO2 ZINC000414130398 278669207 /nfs/dbraw/zinc/66/92/07/278669207.db2.gz WWSSJTISXZMAAX-QGZVFWFLSA-N 2 2 299.418 3.083 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423260232 279142367 /nfs/dbraw/zinc/14/23/67/279142367.db2.gz HAGHCCJPTDATMN-DZGCQCFKSA-N 2 2 271.408 3.259 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000086869454 279165505 /nfs/dbraw/zinc/16/55/05/279165505.db2.gz QZUQXSOSWYJZCX-ZWKOTPCHSA-N 2 2 290.451 3.228 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000372745687 279274993 /nfs/dbraw/zinc/27/49/93/279274993.db2.gz BFLBYXJOHCFLCD-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000372745687 279274999 /nfs/dbraw/zinc/27/49/99/279274999.db2.gz BFLBYXJOHCFLCD-BRSBDYLESA-N 2 2 294.483 3.046 20 0 CGADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCCS2 ZINC000423207710 279293249 /nfs/dbraw/zinc/29/32/49/279293249.db2.gz SCDCNIBMVBGFAS-AAEUAGOBSA-N 2 2 282.840 3.219 20 0 CGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000507465554 279436754 /nfs/dbraw/zinc/43/67/54/279436754.db2.gz BGMWYOHZHXCWQW-UHFFFAOYSA-N 2 2 278.362 3.326 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000361979665 288133506 /nfs/dbraw/zinc/13/35/06/288133506.db2.gz BHCJQUSFOSVXDB-UHOFOFEASA-N 2 2 288.435 3.365 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000361979665 288133507 /nfs/dbraw/zinc/13/35/07/288133507.db2.gz BHCJQUSFOSVXDB-UHOFOFEASA-N 2 2 288.435 3.365 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422947340 279547971 /nfs/dbraw/zinc/54/79/71/279547971.db2.gz QHZGGELSDRUHAG-LKTVYLICSA-N 2 2 264.800 3.057 20 0 CGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(F)CC1 ZINC000526970448 288154450 /nfs/dbraw/zinc/15/44/50/288154450.db2.gz PGGUOVOQTDYJRO-UHFFFAOYSA-N 2 2 291.414 3.122 20 0 CGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(F)CC1 ZINC000526970448 288154451 /nfs/dbraw/zinc/15/44/51/288154451.db2.gz PGGUOVOQTDYJRO-UHFFFAOYSA-N 2 2 291.414 3.122 20 0 CGADLP C[C@H]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000177046327 279729902 /nfs/dbraw/zinc/72/99/02/279729902.db2.gz IISJNUOPOWVIDC-FZMZJTMJSA-N 2 2 276.771 3.019 20 0 CGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186066 280638831 /nfs/dbraw/zinc/63/88/31/280638831.db2.gz JYHOEUSQXAEBTO-YOEHRIQHSA-N 2 2 288.435 3.365 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423195128 281026714 /nfs/dbraw/zinc/02/67/14/281026714.db2.gz SFHGGJFLHQQOHT-DYVFJYSZSA-N 2 2 283.419 3.195 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000352579943 281126764 /nfs/dbraw/zinc/12/67/64/281126764.db2.gz HMSYSXSBPFKDLC-ZMYBRWDISA-N 2 2 284.447 3.445 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000352579943 281126765 /nfs/dbraw/zinc/12/67/65/281126765.db2.gz HMSYSXSBPFKDLC-ZMYBRWDISA-N 2 2 284.447 3.445 20 0 CGADLP Cc1cc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)ccc1F ZINC000530213626 288300955 /nfs/dbraw/zinc/30/09/55/288300955.db2.gz AZQMXHORYYHVJU-IRXDYDNUSA-N 2 2 288.410 3.459 20 0 CGADLP Cc1cc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)ccc1F ZINC000530213624 288300870 /nfs/dbraw/zinc/30/08/70/288300870.db2.gz AZQMXHORYYHVJU-DLBZAZTESA-N 2 2 288.410 3.459 20 0 CGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417357556 281304464 /nfs/dbraw/zinc/30/44/64/281304464.db2.gz RSFFVCGVUMNZEK-UKRRQHHQSA-N 2 2 258.409 3.227 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC3(CC3)CC1)CCC2 ZINC000336100259 281547072 /nfs/dbraw/zinc/54/70/72/281547072.db2.gz STPIMIOUVJMONL-CQSZACIVSA-N 2 2 273.424 3.381 20 0 CGADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000542779049 288771290 /nfs/dbraw/zinc/77/12/90/288771290.db2.gz HZAXGWCPTCCBHV-MRXNPFEDSA-N 2 2 290.386 3.184 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609603 289048459 /nfs/dbraw/zinc/04/84/59/289048459.db2.gz CAGUNXYAYJNSSE-MRWWZRLISA-N 2 2 284.447 3.253 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000549609603 289048460 /nfs/dbraw/zinc/04/84/60/289048460.db2.gz CAGUNXYAYJNSSE-MRWWZRLISA-N 2 2 284.447 3.253 20 0 CGADLP CC(C)[C@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000551026755 289095816 /nfs/dbraw/zinc/09/58/16/289095816.db2.gz LWNUKUVDVCJHMZ-AWEZNQCLSA-N 2 2 254.805 3.188 20 0 CGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000551581187 289123430 /nfs/dbraw/zinc/12/34/30/289123430.db2.gz BFDJMFNMYQUVFY-MAUKXSAKSA-N 2 2 288.435 3.244 20 0 CGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551818482 289136018 /nfs/dbraw/zinc/13/60/18/289136018.db2.gz QVQUJYBCBWJTFE-KZULUSFZSA-N 2 2 299.393 3.382 20 0 CGADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000554096534 289258526 /nfs/dbraw/zinc/25/85/26/289258526.db2.gz MKHXAMGGYNRWGP-BHYGNILZSA-N 2 2 260.425 3.037 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)CCC[NH+](C)C)cc2c1C ZINC000554875829 289316004 /nfs/dbraw/zinc/31/60/04/289316004.db2.gz SORVNCMBAZTCPF-UHFFFAOYSA-N 2 2 273.424 3.168 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)CCC[NH+](C)C)cc2c1C ZINC000554875829 289316005 /nfs/dbraw/zinc/31/60/05/289316005.db2.gz SORVNCMBAZTCPF-UHFFFAOYSA-N 2 2 273.424 3.168 20 0 CGADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000558254539 289482269 /nfs/dbraw/zinc/48/22/69/289482269.db2.gz HYQVIHSWZWGMNR-INIZCTEOSA-N 2 2 282.859 3.448 20 0 CGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000560257580 289579886 /nfs/dbraw/zinc/57/98/86/289579886.db2.gz AYGPLZNTXAEJJD-RDJZCZTQSA-N 2 2 290.451 3.466 20 0 CGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000560518601 289599421 /nfs/dbraw/zinc/59/94/21/289599421.db2.gz GXAOAYDFHSWRDT-YVEFUNNKSA-N 2 2 296.405 3.216 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831075 290214140 /nfs/dbraw/zinc/21/41/40/290214140.db2.gz YKQKNJJOPWVSRX-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831075 290214143 /nfs/dbraw/zinc/21/41/43/290214143.db2.gz YKQKNJJOPWVSRX-ZIAGYGMSSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434174 290217033 /nfs/dbraw/zinc/21/70/33/290217033.db2.gz SHLCFWHYJZSHNM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434174 290217040 /nfs/dbraw/zinc/21/70/40/290217040.db2.gz SHLCFWHYJZSHNM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434174 290217042 /nfs/dbraw/zinc/21/70/42/290217042.db2.gz SHLCFWHYJZSHNM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434174 290217045 /nfs/dbraw/zinc/21/70/45/290217045.db2.gz SHLCFWHYJZSHNM-CXAGYDPISA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429683 290230402 /nfs/dbraw/zinc/23/04/02/290230402.db2.gz ZANPCLMZMXKIGM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429683 290230405 /nfs/dbraw/zinc/23/04/05/290230405.db2.gz ZANPCLMZMXKIGM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429683 290230407 /nfs/dbraw/zinc/23/04/07/290230407.db2.gz ZANPCLMZMXKIGM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429683 290230409 /nfs/dbraw/zinc/23/04/09/290230409.db2.gz ZANPCLMZMXKIGM-DYVFJYSZSA-N 2 2 294.389 3.444 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421612 300226284 /nfs/dbraw/zinc/22/62/84/300226284.db2.gz NMLCVMOYPFVEOK-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000479421612 300226286 /nfs/dbraw/zinc/22/62/86/300226286.db2.gz NMLCVMOYPFVEOK-DZGCQCFKSA-N 2 2 250.430 3.053 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000341966903 302030888 /nfs/dbraw/zinc/03/08/88/302030888.db2.gz ILTJULLIAIURII-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000341966903 302030891 /nfs/dbraw/zinc/03/08/91/302030891.db2.gz ILTJULLIAIURII-GRDNDAEWSA-N 2 2 258.409 3.128 20 0 CGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CCCSC1)[NH+](C)C ZINC000494844283 302209215 /nfs/dbraw/zinc/20/92/15/302209215.db2.gz AFOGVKUZWXQGHV-ZOBUZTSGSA-N 2 2 292.492 3.471 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000158601234 321818782 /nfs/dbraw/zinc/81/87/82/321818782.db2.gz OELRUVNWVWISBH-HNNXBMFYSA-N 2 2 292.386 3.177 20 0 CGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000564827827 322045531 /nfs/dbraw/zinc/04/55/31/322045531.db2.gz PMNXHZRMOSLULN-KDOFPFPSSA-N 2 2 284.403 3.077 20 0 CGADLP Cc1[nH]c(CNC[C@H](C(C)C)[NH+]2CCCCCC2)[nH+]c1C ZINC000565551543 322081945 /nfs/dbraw/zinc/08/19/45/322081945.db2.gz ZHNFVBCLSAYOMF-MRXNPFEDSA-N 2 2 292.471 3.017 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)n1C ZINC000566020848 322100910 /nfs/dbraw/zinc/10/09/10/322100910.db2.gz GCVMHDDQUZNNIJ-ZDUSSCGKSA-N 2 2 287.407 3.367 20 0 CGADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000566415016 322121153 /nfs/dbraw/zinc/12/11/53/322121153.db2.gz VVMLDVDDUYLOCG-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP Cc1nsc(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000566415016 322121154 /nfs/dbraw/zinc/12/11/54/322121154.db2.gz VVMLDVDDUYLOCG-HNNXBMFYSA-N 2 2 293.480 3.210 20 0 CGADLP COCC[N@H+](CCc1cc[nH+]cc1C)Cc1cccs1 ZINC000566735253 322136297 /nfs/dbraw/zinc/13/62/97/322136297.db2.gz COJYCNRMFORIOC-UHFFFAOYSA-N 2 2 290.432 3.143 20 0 CGADLP COCC[N@@H+](CCc1cc[nH+]cc1C)Cc1cccs1 ZINC000566735253 322136299 /nfs/dbraw/zinc/13/62/99/322136299.db2.gz COJYCNRMFORIOC-UHFFFAOYSA-N 2 2 290.432 3.143 20 0 CGADLP CC(C)(C[NH2+]Cc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000567225819 322155046 /nfs/dbraw/zinc/15/50/46/322155046.db2.gz LMXOGIXQAULBQN-UHFFFAOYSA-N 2 2 282.378 3.176 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)n1C ZINC000568269304 322201834 /nfs/dbraw/zinc/20/18/34/322201834.db2.gz HEJUNKUDXVUQMS-SNVBAGLBSA-N 2 2 292.452 3.333 20 0 CGADLP C([NH2+][C@H]1CCCC12CC2)C1([NH+]2CCSCC2)CCCC1 ZINC000568654615 322217772 /nfs/dbraw/zinc/21/77/72/322217772.db2.gz TVRAJQSVTBCWAG-HNNXBMFYSA-N 2 2 294.508 3.270 20 0 CGADLP C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000569634701 322252604 /nfs/dbraw/zinc/25/26/04/322252604.db2.gz YYXOWRXGIVFVQL-DNVCBOLYSA-N 2 2 295.430 3.181 20 0 CGADLP C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000569634701 322252606 /nfs/dbraw/zinc/25/26/06/322252606.db2.gz YYXOWRXGIVFVQL-DNVCBOLYSA-N 2 2 295.430 3.181 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000570707050 322280185 /nfs/dbraw/zinc/28/01/85/322280185.db2.gz HXZSNVPVGPSFNS-UAGQMJEPSA-N 2 2 260.425 3.456 20 0 CGADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000570707050 322280188 /nfs/dbraw/zinc/28/01/88/322280188.db2.gz HXZSNVPVGPSFNS-UAGQMJEPSA-N 2 2 260.425 3.456 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)n1C ZINC000571061664 322289041 /nfs/dbraw/zinc/28/90/41/322289041.db2.gz BPWYMWVGIVFPSU-KRWDZBQOSA-N 2 2 269.392 3.012 20 0 CGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722546 322306034 /nfs/dbraw/zinc/30/60/34/322306034.db2.gz HWTQZYMIKNOPCE-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722546 322306035 /nfs/dbraw/zinc/30/60/35/322306035.db2.gz HWTQZYMIKNOPCE-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722546 322306037 /nfs/dbraw/zinc/30/60/37/322306037.db2.gz HWTQZYMIKNOPCE-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(F)c(Cl)c2)C1 ZINC000571722546 322306038 /nfs/dbraw/zinc/30/60/38/322306038.db2.gz HWTQZYMIKNOPCE-XJKSGUPXSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)(C)c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000572913373 322361229 /nfs/dbraw/zinc/36/12/29/322361229.db2.gz KTZJGZMWCBZLLF-UHFFFAOYSA-N 2 2 298.434 3.029 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000574465241 322442103 /nfs/dbraw/zinc/44/21/03/322442103.db2.gz HKMQIAFYWZUVSE-CABCVRRESA-N 2 2 280.481 3.389 20 0 CGADLP Cc1ccc(C[N@H+](C)CCc2cc[nH+]cc2C)s1 ZINC000583141694 329321029 /nfs/dbraw/zinc/32/10/29/329321029.db2.gz VLYZVPXGRPQFHY-UHFFFAOYSA-N 2 2 260.406 3.434 20 0 CGADLP Cc1ccc(C[N@@H+](C)CCc2cc[nH+]cc2C)s1 ZINC000583141694 329321030 /nfs/dbraw/zinc/32/10/30/329321030.db2.gz VLYZVPXGRPQFHY-UHFFFAOYSA-N 2 2 260.406 3.434 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000583360748 327319696 /nfs/dbraw/zinc/31/96/96/327319696.db2.gz PYWHVPALSPLNAB-RHSMWYFYSA-N 2 2 288.435 3.004 20 0 CGADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000583360748 327319698 /nfs/dbraw/zinc/31/96/98/327319698.db2.gz PYWHVPALSPLNAB-RHSMWYFYSA-N 2 2 288.435 3.004 20 0 CGADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000583687545 328975611 /nfs/dbraw/zinc/97/56/11/328975611.db2.gz PUWGPHSGDDUXET-HOCLYGCPSA-N 2 2 288.439 3.001 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)n1C ZINC000583033801 329305291 /nfs/dbraw/zinc/30/52/91/329305291.db2.gz BQXREWAEFQWNNF-ZBFHGGJFSA-N 2 2 287.382 3.294 20 0 CGADLP CCCC(O)(CCC)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000174416656 335154243 /nfs/dbraw/zinc/15/42/43/335154243.db2.gz JOMBXFKOLSADRE-UHFFFAOYSA-N 2 2 289.423 3.064 20 0 CGADLP COc1ccc2cc(C[NH2+]Cc3c[nH+]c(C)n3C)ccc2c1 ZINC000576362157 335195117 /nfs/dbraw/zinc/19/51/17/335195117.db2.gz VKQRTTNYUXQTIP-UHFFFAOYSA-N 2 2 295.386 3.180 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840050 335254622 /nfs/dbraw/zinc/25/46/22/335254622.db2.gz JZKOJQIQQCPGLQ-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840050 335254624 /nfs/dbraw/zinc/25/46/24/335254624.db2.gz JZKOJQIQQCPGLQ-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840050 335254625 /nfs/dbraw/zinc/25/46/25/335254625.db2.gz JZKOJQIQQCPGLQ-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000576840050 335254627 /nfs/dbraw/zinc/25/46/27/335254627.db2.gz JZKOJQIQQCPGLQ-MSOLQXFVSA-N 2 2 290.426 3.432 20 0 CGADLP CC[NH+](CC)[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000577488081 335357835 /nfs/dbraw/zinc/35/78/35/335357835.db2.gz NYPNRUGKKPHYNZ-INIZCTEOSA-N 2 2 283.419 3.464 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000381762425 336072628 /nfs/dbraw/zinc/07/26/28/336072628.db2.gz LLTOIBPZBJXUBY-FHLIZLRMSA-N 2 2 272.436 3.428 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C1CC1 ZINC000381762425 336072629 /nfs/dbraw/zinc/07/26/29/336072629.db2.gz LLTOIBPZBJXUBY-FHLIZLRMSA-N 2 2 272.436 3.428 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382134484 336082516 /nfs/dbraw/zinc/08/25/16/336082516.db2.gz MZMYVZFDZLRWED-TXJKMDNRSA-N 2 2 276.468 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC2CCC1CC2 ZINC000382134484 336082518 /nfs/dbraw/zinc/08/25/18/336082518.db2.gz MZMYVZFDZLRWED-TXJKMDNRSA-N 2 2 276.468 3.416 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581659002 336119174 /nfs/dbraw/zinc/11/91/74/336119174.db2.gz WNBWWTAJWPNNMS-SQNIBIBYSA-N 2 2 272.436 3.429 20 0 CGADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000581659002 336119175 /nfs/dbraw/zinc/11/91/75/336119175.db2.gz WNBWWTAJWPNNMS-SQNIBIBYSA-N 2 2 272.436 3.429 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000385441484 336146396 /nfs/dbraw/zinc/14/63/96/336146396.db2.gz TWSVEXVDSFNLBH-HZPDHXFCSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000385441484 336146398 /nfs/dbraw/zinc/14/63/98/336146398.db2.gz TWSVEXVDSFNLBH-HZPDHXFCSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000385960541 336163184 /nfs/dbraw/zinc/16/31/84/336163184.db2.gz NWUKTEJHCHRTML-WBOSRHFRSA-N 2 2 272.436 3.284 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000385960541 336163186 /nfs/dbraw/zinc/16/31/86/336163186.db2.gz NWUKTEJHCHRTML-WBOSRHFRSA-N 2 2 272.436 3.284 20 0 CGADLP CCCc1[nH+]ccn1C/C=C/Cn1cc[nH+]c1CCC ZINC000581954645 336178981 /nfs/dbraw/zinc/17/89/81/336178981.db2.gz GCZSSNKMPMXTCI-AATRIKPKSA-N 2 2 272.396 3.241 20 0 CGADLP COc1cccc2c(C[NH2+]CC3([NH+](C)C)CCC3)cccc12 ZINC000449264586 533835791 /nfs/dbraw/zinc/83/57/91/533835791.db2.gz MVEYLXYQFPXSJE-UHFFFAOYSA-N 2 2 298.430 3.422 20 0 CGADLP Cc1ccc(C[NH+](C)C)cc1NCc1c[nH+]cn1C(C)C ZINC000424152225 533869459 /nfs/dbraw/zinc/86/94/59/533869459.db2.gz JCXBJTGGULPOLF-UHFFFAOYSA-N 2 2 286.423 3.446 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1C ZINC000365805483 533885368 /nfs/dbraw/zinc/88/53/68/533885368.db2.gz KUYVIAGICSKZKX-MRXNPFEDSA-N 2 2 299.418 3.176 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422770972 533915117 /nfs/dbraw/zinc/91/51/17/533915117.db2.gz QXLMMPJGZRJHEJ-KXBFYZLASA-N 2 2 295.430 3.369 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000369684925 533926852 /nfs/dbraw/zinc/92/68/52/533926852.db2.gz YVSFFPYDTDIZRR-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000369684925 533926858 /nfs/dbraw/zinc/92/68/58/533926858.db2.gz YVSFFPYDTDIZRR-QGZVFWFLSA-N 2 2 283.419 3.417 20 0 CGADLP COc1cc(Cl)c(C[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000414794844 533931034 /nfs/dbraw/zinc/93/10/34/533931034.db2.gz MHLJLAXUVGYPQW-LBPRGKRZSA-N 2 2 291.222 3.075 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000414341192 533964404 /nfs/dbraw/zinc/96/44/04/533964404.db2.gz OFGLAMKKLFTGPY-BZZMCLGOSA-N 2 2 296.414 3.388 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1Cc1ccccc1 ZINC000414341192 533964412 /nfs/dbraw/zinc/96/44/12/533964412.db2.gz OFGLAMKKLFTGPY-BZZMCLGOSA-N 2 2 296.414 3.388 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cc3cccnc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000449049801 534038716 /nfs/dbraw/zinc/03/87/16/534038716.db2.gz SDNFDPSPLSBQDP-CJNGLKHVSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cc3cccnc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000449049801 534038717 /nfs/dbraw/zinc/03/87/17/534038717.db2.gz SDNFDPSPLSBQDP-CJNGLKHVSA-N 2 2 296.374 3.107 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449262048 534266532 /nfs/dbraw/zinc/26/65/32/534266532.db2.gz BBNBCPPYTSLMPQ-AWEZNQCLSA-N 2 2 286.419 3.438 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000358060710 534439479 /nfs/dbraw/zinc/43/94/79/534439479.db2.gz KSIMPOLHWOPPHU-HONMWMINSA-N 2 2 296.867 3.417 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000358060710 534439484 /nfs/dbraw/zinc/43/94/84/534439484.db2.gz KSIMPOLHWOPPHU-HONMWMINSA-N 2 2 296.867 3.417 20 0 CGADLP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764188 519781803 /nfs/dbraw/zinc/78/18/03/519781803.db2.gz HVEBUFQZDANGBA-LBPRGKRZSA-N 2 2 259.353 3.048 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317597 520837674 /nfs/dbraw/zinc/83/76/74/520837674.db2.gz BFKJPMLBFVRQHQ-AEFFLSMTSA-N 2 2 290.451 3.086 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427122878 534521256 /nfs/dbraw/zinc/52/12/56/534521256.db2.gz UCXJQOFBERIGHD-MLGOLLRUSA-N 2 2 296.817 3.096 20 0 CGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427122878 534521262 /nfs/dbraw/zinc/52/12/62/534521262.db2.gz UCXJQOFBERIGHD-MLGOLLRUSA-N 2 2 296.817 3.096 20 0 CGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC23CC3)n1-c1ccccc1 ZINC000418090552 534740955 /nfs/dbraw/zinc/74/09/55/534740955.db2.gz DRGCXVMLDQODDF-AWEZNQCLSA-N 2 2 267.376 3.070 20 0 CGADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000155588421 524150292 /nfs/dbraw/zinc/15/02/92/524150292.db2.gz PNELYEIZWVAAQQ-MAUKXSAKSA-N 2 2 287.451 3.214 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157484095 524785971 /nfs/dbraw/zinc/78/59/71/524785971.db2.gz RLRDINVSXCNWMS-VUCTXSBTSA-N 2 2 282.387 3.491 20 0 CGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCO1 ZINC000436472307 534813631 /nfs/dbraw/zinc/81/36/31/534813631.db2.gz ZWGGXCDYWYVBAQ-HTHKGWQXSA-N 2 2 291.439 3.055 20 0 CGADLP c1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000157356198 526519580 /nfs/dbraw/zinc/51/95/80/526519580.db2.gz LNDZZFBWXPRSCR-OAHLLOKOSA-N 2 2 299.418 3.278 20 0 CGADLP c1ccc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000157356198 526519583 /nfs/dbraw/zinc/51/95/83/526519583.db2.gz LNDZZFBWXPRSCR-OAHLLOKOSA-N 2 2 299.418 3.278 20 0 CGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000414340176 527807396 /nfs/dbraw/zinc/80/73/96/527807396.db2.gz KKMZDLFAOHQNQK-QWHCGFSZSA-N 2 2 264.438 3.153 20 0 CGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000414340176 527807401 /nfs/dbraw/zinc/80/74/01/527807401.db2.gz KKMZDLFAOHQNQK-QWHCGFSZSA-N 2 2 264.438 3.153 20 0 CGADLP CC(C)CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccoc1 ZINC000423273905 527847243 /nfs/dbraw/zinc/84/72/43/527847243.db2.gz LDQXMMCOWZKBRF-CABCVRRESA-N 2 2 252.402 3.330 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252340 527848365 /nfs/dbraw/zinc/84/83/65/527848365.db2.gz HDFIOROQVFYOSS-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252340 527848375 /nfs/dbraw/zinc/84/83/75/527848375.db2.gz HDFIOROQVFYOSS-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252340 527848380 /nfs/dbraw/zinc/84/83/80/527848380.db2.gz HDFIOROQVFYOSS-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2oc(C(C)C)nc2C)C1 ZINC000428252340 527848387 /nfs/dbraw/zinc/84/83/87/527848387.db2.gz HDFIOROQVFYOSS-OAHLLOKOSA-N 2 2 293.455 3.270 20 0 CGADLP CC(C)CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424284106 527870537 /nfs/dbraw/zinc/87/05/37/527870537.db2.gz CJAZLKGCWNUNDY-ZIAGYGMSSA-N 2 2 281.469 3.091 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427873162 528204516 /nfs/dbraw/zinc/20/45/16/528204516.db2.gz ZDBZURUYTADOQA-ZBFHGGJFSA-N 2 2 299.418 3.336 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424321697 528205681 /nfs/dbraw/zinc/20/56/81/528205681.db2.gz HTCGTJNZHKSXSK-IRXDYDNUSA-N 2 2 276.399 3.088 20 0 CGADLP CC(C)Oc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367415569 528226235 /nfs/dbraw/zinc/22/62/35/528226235.db2.gz OPEZJHGGBOSSON-UHFFFAOYSA-N 2 2 299.418 3.296 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cs1 ZINC000425934936 528301005 /nfs/dbraw/zinc/30/10/05/528301005.db2.gz BEGZQDGCEBWXKG-NWDGAFQWSA-N 2 2 269.458 3.115 20 0 CGADLP CC[NH2+]CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423240492 528332631 /nfs/dbraw/zinc/33/26/31/528332631.db2.gz HEFSWFAQOBLDSM-CQSZACIVSA-N 2 2 286.341 3.356 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423295430 528515608 /nfs/dbraw/zinc/51/56/08/528515608.db2.gz AEQPIPOGHKKYNV-CQSZACIVSA-N 2 2 286.419 3.499 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423315276 528515721 /nfs/dbraw/zinc/51/57/21/528515721.db2.gz XEGYDUJHQUZJFB-OAHLLOKOSA-N 2 2 283.419 3.399 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000423306624 528516776 /nfs/dbraw/zinc/51/67/76/528516776.db2.gz FFFTWOGZLMAHRK-AWEZNQCLSA-N 2 2 297.240 3.026 20 0 CGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423264711 528518863 /nfs/dbraw/zinc/51/88/63/528518863.db2.gz QERXPKOOSGMGBB-DZGCQCFKSA-N 2 2 271.408 3.259 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423403620 528588822 /nfs/dbraw/zinc/58/88/22/528588822.db2.gz ZEQBLWWIJIGVPZ-JKSUJKDBSA-N 2 2 293.430 3.286 20 0 CGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Cl)cc1F ZINC000420410100 528589326 /nfs/dbraw/zinc/58/93/26/528589326.db2.gz QYSCMVQSDMQQRO-NOZJJQNGSA-N 2 2 258.768 3.113 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1OCCC ZINC000423342877 528726534 /nfs/dbraw/zinc/72/65/34/528726534.db2.gz ZDROQERMFVJKNL-KGLIPLIRSA-N 2 2 294.439 3.262 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423304628 528956545 /nfs/dbraw/zinc/95/65/45/528956545.db2.gz ZHEVFKJBOKJRPT-IUODEOHRSA-N 2 2 294.464 3.339 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C)c2F)CC1 ZINC000449009970 528973986 /nfs/dbraw/zinc/97/39/86/528973986.db2.gz QGGWRASCDGILFJ-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C)c2F)CC1 ZINC000449009970 528973990 /nfs/dbraw/zinc/97/39/90/528973990.db2.gz QGGWRASCDGILFJ-UHFFFAOYSA-N 2 2 264.388 3.050 20 0 CGADLP CCOC[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449349745 528976648 /nfs/dbraw/zinc/97/66/48/528976648.db2.gz GZOBEKRDJGWKDQ-LBPRGKRZSA-N 2 2 293.798 3.040 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424249167 528989192 /nfs/dbraw/zinc/98/91/92/528989192.db2.gz AIFDTLGEHWGZJC-LBPRGKRZSA-N 2 2 296.842 3.484 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423381127 529011549 /nfs/dbraw/zinc/01/15/49/529011549.db2.gz HSAKUCZXDBNWBO-ZBFHGGJFSA-N 2 2 275.440 3.291 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000359592154 529082946 /nfs/dbraw/zinc/08/29/46/529082946.db2.gz QTDOTPRLUJACTN-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000359592154 529082948 /nfs/dbraw/zinc/08/29/48/529082948.db2.gz QTDOTPRLUJACTN-TZMCWYRMSA-N 2 2 278.465 3.372 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CCC1 ZINC000449172616 529179778 /nfs/dbraw/zinc/17/97/78/529179778.db2.gz VXJUTBQHHRIKTE-HUUCEWRRSA-N 2 2 261.413 3.237 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(F)ccc1F ZINC000424374295 529202520 /nfs/dbraw/zinc/20/25/20/529202520.db2.gz KUKBJAQNDZYQON-RBSFLKMASA-N 2 2 268.351 3.275 20 0 CGADLP CCC(CC)[C@H](C[NH2+][C@@H](COC)C(C)C)[NH+]1CCCC1 ZINC000480560808 535145906 /nfs/dbraw/zinc/14/59/06/535145906.db2.gz VVOHRGDGLYJNFR-IRXDYDNUSA-N 2 2 284.488 3.148 20 0 CGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(C3CCC3)s2)CC1 ZINC000125280467 535458738 /nfs/dbraw/zinc/45/87/38/535458738.db2.gz ZJINIOCCKSLMHP-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(C3CCC3)s2)CC1 ZINC000125280467 535458742 /nfs/dbraw/zinc/45/87/42/535458742.db2.gz ZJINIOCCKSLMHP-UHFFFAOYSA-N 2 2 293.480 3.327 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000462690828 535822107 /nfs/dbraw/zinc/82/21/07/535822107.db2.gz YHWVMKFOUXYRBA-OAGGEKHMSA-N 2 2 252.446 3.277 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000462690828 535822108 /nfs/dbraw/zinc/82/21/08/535822108.db2.gz YHWVMKFOUXYRBA-OAGGEKHMSA-N 2 2 252.446 3.277 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000729682648 571929417 /nfs/dbraw/zinc/92/94/17/571929417.db2.gz XPOWPZOIPVNGPZ-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000729682648 571929419 /nfs/dbraw/zinc/92/94/19/571929419.db2.gz XPOWPZOIPVNGPZ-QGZVFWFLSA-N 2 2 266.388 3.147 20 0 CGADLP c1ccc2cc(C[NH2+]C[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000258964378 572329618 /nfs/dbraw/zinc/32/96/18/572329618.db2.gz JRSKFFUZOFAJSX-QGZVFWFLSA-N 2 2 254.377 3.072 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000222554370 618102881 /nfs/dbraw/zinc/10/28/81/618102881.db2.gz MSSWGYMDZUJHQF-CABCVRRESA-N 2 2 278.415 3.221 20 0 CGADLP C[C@H]1Cc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2O1 ZINC000891842388 618333886 /nfs/dbraw/zinc/33/38/86/618333886.db2.gz LFWIOYHRIMHTMT-AWEZNQCLSA-N 2 2 297.402 3.044 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000934290999 618578093 /nfs/dbraw/zinc/57/80/93/618578093.db2.gz JROBBSNIUGREQI-MRXNPFEDSA-N 2 2 286.423 3.354 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926503070 618713999 /nfs/dbraw/zinc/71/39/99/618713999.db2.gz SAUUYSIQCJQTNS-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926503070 618714002 /nfs/dbraw/zinc/71/40/02/618714002.db2.gz SAUUYSIQCJQTNS-QLFBSQMISA-N 2 2 286.410 3.418 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000893201790 619027511 /nfs/dbraw/zinc/02/75/11/619027511.db2.gz WYELOUHOWIUHLJ-OAHLLOKOSA-N 2 2 294.439 3.136 20 0 CGADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000893201790 619027512 /nfs/dbraw/zinc/02/75/12/619027512.db2.gz WYELOUHOWIUHLJ-OAHLLOKOSA-N 2 2 294.439 3.136 20 0 CGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000925674988 619124617 /nfs/dbraw/zinc/12/46/17/619124617.db2.gz CDPYOSWRVAZNIS-FZMZJTMJSA-N 2 2 268.351 3.028 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccccc1 ZINC000925683304 619131896 /nfs/dbraw/zinc/13/18/96/619131896.db2.gz NXBNMEUVGQXXSJ-UBHSHLNASA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1Cl ZINC000178409925 619175798 /nfs/dbraw/zinc/17/57/98/619175798.db2.gz UKBNSTLXYCKOJX-CYBMUJFWSA-N 2 2 281.831 3.262 20 0 CGADLP CCSc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925730283 619200968 /nfs/dbraw/zinc/20/09/68/619200968.db2.gz CRKHKBJPTCOEQO-AWEZNQCLSA-N 2 2 264.438 3.029 20 0 CGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000925847793 619294541 /nfs/dbraw/zinc/29/45/41/619294541.db2.gz YJKQJPUCVDIFPB-XNRPHZJLSA-N 2 2 293.480 3.449 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4c3NCCC4)C2)[nH]1 ZINC000893966372 619341241 /nfs/dbraw/zinc/34/12/41/619341241.db2.gz PQPVIVKTTFBDOP-INIZCTEOSA-N 2 2 296.418 3.147 20 0 CGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc4c3NCCC4)C2)[nH]1 ZINC000893966372 619341244 /nfs/dbraw/zinc/34/12/44/619341244.db2.gz PQPVIVKTTFBDOP-INIZCTEOSA-N 2 2 296.418 3.147 20 0 CGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000925057318 619513232 /nfs/dbraw/zinc/51/32/32/619513232.db2.gz FRIXVQIVMFAKJH-QBYUYEEZSA-N 2 2 290.451 3.129 20 0 CGADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925062433 619516297 /nfs/dbraw/zinc/51/62/97/619516297.db2.gz OJWMVFIYUOSEFF-ZDUSSCGKSA-N 2 2 293.455 3.453 20 0 CGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(C(C)C)c1C ZINC000894479595 619549995 /nfs/dbraw/zinc/54/99/95/619549995.db2.gz CMOMTYHOPQRUET-UHFFFAOYSA-N 2 2 294.487 3.245 20 0 CGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(C(C)C)c1C ZINC000894479595 619549999 /nfs/dbraw/zinc/54/99/99/619549999.db2.gz CMOMTYHOPQRUET-UHFFFAOYSA-N 2 2 294.487 3.245 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705764 619873179 /nfs/dbraw/zinc/87/31/79/619873179.db2.gz FRYWGRHRVKOBFN-KBMXLJTQSA-N 2 2 287.432 3.108 20 0 CGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)co2)cc1 ZINC000262583706 620223013 /nfs/dbraw/zinc/22/30/13/620223013.db2.gz ZJISOHXAXUSEEJ-ZBFHGGJFSA-N 2 2 299.418 3.067 20 0 CGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)co2)cc1 ZINC000262583706 620223015 /nfs/dbraw/zinc/22/30/15/620223015.db2.gz ZJISOHXAXUSEEJ-ZBFHGGJFSA-N 2 2 299.418 3.067 20 0 CGADLP c1ccc2c(c1)cncc2C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980933 620461584 /nfs/dbraw/zinc/46/15/84/620461584.db2.gz GDNQQZKBQYTMIM-UHFFFAOYSA-N 2 2 295.430 3.341 20 0 CGADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCC3)CC2)cc1F ZINC000897978834 620461688 /nfs/dbraw/zinc/46/16/88/620461688.db2.gz UYRXTXNBSQIIPO-UHFFFAOYSA-N 2 2 294.389 3.114 20 0 CGADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000898034224 620470751 /nfs/dbraw/zinc/47/07/51/620470751.db2.gz KMFSLNGMADMXTR-STQMWFEESA-N 2 2 292.389 3.429 20 0 CGADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000898034224 620470753 /nfs/dbraw/zinc/47/07/53/620470753.db2.gz KMFSLNGMADMXTR-STQMWFEESA-N 2 2 292.389 3.429 20 0 CGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841059746 620549162 /nfs/dbraw/zinc/54/91/62/620549162.db2.gz WNGRHYAWGSMIJQ-ZWNOBZJWSA-N 2 2 286.391 3.089 20 0 CGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000924712419 620572291 /nfs/dbraw/zinc/57/22/91/620572291.db2.gz IIOMXGCXTPSMFB-ZDUSSCGKSA-N 2 2 293.361 3.352 20 0 CGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccns1 ZINC000924728476 620579847 /nfs/dbraw/zinc/57/98/47/620579847.db2.gz GIGFVDIXZPPNDW-DGCLKSJQSA-N 2 2 278.425 3.105 20 0 CGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474606 621325051 /nfs/dbraw/zinc/32/50/51/621325051.db2.gz GDSCPCMQIZAXTQ-FHXAZYNBSA-N 2 2 256.393 3.026 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902483551 621352905 /nfs/dbraw/zinc/35/29/05/621352905.db2.gz RKFUWFOEBVQJJY-HZPDHXFCSA-N 2 2 261.413 3.045 20 0 CGADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000902759492 621429062 /nfs/dbraw/zinc/42/90/62/621429062.db2.gz YMWWCFWFEYFIDK-OAGGEKHMSA-N 2 2 293.455 3.235 20 0 CGADLP CS[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902885470 621483856 /nfs/dbraw/zinc/48/38/56/621483856.db2.gz AUWWNANEFOTVIG-OLZOCXBDSA-N 2 2 275.421 3.274 20 0 CGADLP C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902995677 621522223 /nfs/dbraw/zinc/52/22/23/621522223.db2.gz DGYAGXOWUCNZOG-RDTXWAMCSA-N 2 2 299.418 3.074 20 0 CGADLP CCc1ncc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000903011546 621532754 /nfs/dbraw/zinc/53/27/54/621532754.db2.gz GDEPIGCSXDFJBC-ZDUSSCGKSA-N 2 2 296.374 3.274 20 0 CGADLP C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903088444 621565828 /nfs/dbraw/zinc/56/58/28/621565828.db2.gz QVGUZBCDAIWOIZ-CABCVRRESA-N 2 2 267.376 3.489 20 0 CGADLP c1ccc(N2CCC([NH2+]CC[C@@H]3C[C@H]3C3CC3)CC2)[nH+]c1 ZINC000903161883 621607887 /nfs/dbraw/zinc/60/78/87/621607887.db2.gz RALYNQISPFOWML-WBVHZDCISA-N 2 2 285.435 3.076 20 0 CGADLP c1ccc([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CC2)nc1 ZINC000903163337 621608352 /nfs/dbraw/zinc/60/83/52/621608352.db2.gz DANDRUJMCSZRIR-HTWSVDAQSA-N 2 2 285.435 3.139 20 0 CGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199480 621624190 /nfs/dbraw/zinc/62/41/90/621624190.db2.gz ZIOXFIDQLLGGRY-KDOFPFPSSA-N 2 2 299.418 3.013 20 0 CGADLP [NH3+]C1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000904449246 621923507 /nfs/dbraw/zinc/92/35/07/621923507.db2.gz KYCMUAHAISIUCK-UHFFFAOYSA-N 2 2 292.329 3.022 20 0 CGADLP Cc1cccn2c(CNc3ccc(C(C)(C)[NH3+])cc3)c[nH+]c12 ZINC000904469938 621925136 /nfs/dbraw/zinc/92/51/36/621925136.db2.gz CSFLNUXQKDTJHA-UHFFFAOYSA-N 2 2 294.402 3.449 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc21 ZINC000157288014 622896768 /nfs/dbraw/zinc/89/67/68/622896768.db2.gz QHBHVZWQHYEDKX-BZUAXINKSA-N 2 2 268.360 3.391 20 0 CGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000230022433 623186203 /nfs/dbraw/zinc/18/62/03/623186203.db2.gz IRMZQLDLYBFXDF-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000230022433 623186207 /nfs/dbraw/zinc/18/62/07/623186207.db2.gz IRMZQLDLYBFXDF-UHFFFAOYSA-N 2 2 289.810 3.086 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000019959899 634410832 /nfs/dbraw/zinc/41/08/32/634410832.db2.gz FJOSMLHWZNCUKR-RDJZCZTQSA-N 2 2 260.425 3.082 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000019959899 634410839 /nfs/dbraw/zinc/41/08/39/634410839.db2.gz FJOSMLHWZNCUKR-RDJZCZTQSA-N 2 2 260.425 3.082 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532493 626161600 /nfs/dbraw/zinc/16/16/00/626161600.db2.gz CXKMSOVGJANJBW-KGLIPLIRSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532493 626161603 /nfs/dbraw/zinc/16/16/03/626161603.db2.gz CXKMSOVGJANJBW-KGLIPLIRSA-N 2 2 272.383 3.030 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000764595120 627213877 /nfs/dbraw/zinc/21/38/77/627213877.db2.gz YQIZBGQXTAIJOG-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000764595120 627213879 /nfs/dbraw/zinc/21/38/79/627213879.db2.gz YQIZBGQXTAIJOG-RDJZCZTQSA-N 2 2 258.409 3.056 20 0 CGADLP CCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000766005029 627285966 /nfs/dbraw/zinc/28/59/66/627285966.db2.gz VEECTJPSHUGFEK-CYBMUJFWSA-N 2 2 295.390 3.009 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000766267713 627308267 /nfs/dbraw/zinc/30/82/67/627308267.db2.gz ILFBTQZKSCJIAP-KDOFPFPSSA-N 2 2 288.435 3.147 20 0 CGADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCC2 ZINC000766267713 627308270 /nfs/dbraw/zinc/30/82/70/627308270.db2.gz ILFBTQZKSCJIAP-KDOFPFPSSA-N 2 2 288.435 3.147 20 0 CGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000766271818 627309826 /nfs/dbraw/zinc/30/98/26/627309826.db2.gz VMPYVZDWGFBGLV-PBHICJAKSA-N 2 2 258.409 3.138 20 0 CGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000766271818 627309827 /nfs/dbraw/zinc/30/98/27/627309827.db2.gz VMPYVZDWGFBGLV-PBHICJAKSA-N 2 2 258.409 3.138 20 0 CGADLP FC(F)C1CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000768673114 627492174 /nfs/dbraw/zinc/49/21/74/627492174.db2.gz RXDBFGDXLYVGRL-UHFFFAOYSA-N 2 2 277.318 3.006 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)[nH]1 ZINC000768904261 627508684 /nfs/dbraw/zinc/50/86/84/627508684.db2.gz WFXAOQOVYYBOGW-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cncc4ccccc43)C2)[nH]1 ZINC000768904261 627508686 /nfs/dbraw/zinc/50/86/86/627508686.db2.gz WFXAOQOVYYBOGW-OAHLLOKOSA-N 2 2 292.386 3.338 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769232416 627532612 /nfs/dbraw/zinc/53/26/12/627532612.db2.gz LRUHXBWKCIIFIR-UHFFFAOYSA-N 2 2 283.419 3.197 20 0 CGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000779059695 628385539 /nfs/dbraw/zinc/38/55/39/628385539.db2.gz BXIXJSJTUCGABX-HUUCEWRRSA-N 2 2 299.418 3.174 20 0 CGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000783225162 628690198 /nfs/dbraw/zinc/69/01/98/628690198.db2.gz OKLDCQMBZVIDMV-GOSISDBHSA-N 2 2 299.418 3.167 20 0 CGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000783225163 628690334 /nfs/dbraw/zinc/69/03/34/628690334.db2.gz OKLDCQMBZVIDMV-SFHVURJKSA-N 2 2 299.418 3.167 20 0 CGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000788989078 629094461 /nfs/dbraw/zinc/09/44/61/629094461.db2.gz VBHZTVHYCSWSDC-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC(F)(F)CC1 ZINC000788989078 629094465 /nfs/dbraw/zinc/09/44/65/629094465.db2.gz VBHZTVHYCSWSDC-OLZOCXBDSA-N 2 2 274.399 3.274 20 0 CGADLP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000790049504 629179740 /nfs/dbraw/zinc/17/97/40/629179740.db2.gz NSAUFYKEVHRUGN-WMZOPIPTSA-N 2 2 286.463 3.426 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806152775 629498916 /nfs/dbraw/zinc/49/89/16/629498916.db2.gz UVHMWTDSAXANDA-RBUKOAKNSA-N 2 2 299.462 3.429 20 0 CGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806152774 629501433 /nfs/dbraw/zinc/50/14/33/629501433.db2.gz UVHMWTDSAXANDA-OALUTQOASA-N 2 2 299.462 3.429 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863653479 629632527 /nfs/dbraw/zinc/63/25/27/629632527.db2.gz KUHVTRWOYSRBAU-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP Cc1ccccc1-c1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863653479 629632531 /nfs/dbraw/zinc/63/25/31/629632531.db2.gz KUHVTRWOYSRBAU-HNNXBMFYSA-N 2 2 268.404 3.441 20 0 CGADLP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)[NH+]1CCCCC1 ZINC000799714837 630223060 /nfs/dbraw/zinc/22/30/60/630223060.db2.gz GVASOSFDJKBTGS-GJZGRUSLSA-N 2 2 297.446 3.099 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303910 630395344 /nfs/dbraw/zinc/39/53/44/630395344.db2.gz VYVYDKFRJDVQDN-MVJTYMMSSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303910 630395346 /nfs/dbraw/zinc/39/53/46/630395346.db2.gz VYVYDKFRJDVQDN-MVJTYMMSSA-N 2 2 272.436 3.253 20 0 CGADLP C[NH2+]CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817951697 632248115 /nfs/dbraw/zinc/24/81/15/632248115.db2.gz FZYXLVVBABRBCX-CYBMUJFWSA-N 2 2 286.391 3.188 20 0 CGADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000817968883 632261892 /nfs/dbraw/zinc/26/18/92/632261892.db2.gz OMYUDRWDHCCPMB-WBIUFABUSA-N 2 2 296.842 3.306 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000817976926 632267762 /nfs/dbraw/zinc/26/77/62/632267762.db2.gz WZSYSGYSTJVZDY-HRCADAONSA-N 2 2 296.817 3.471 20 0 CGADLP C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401343 632765128 /nfs/dbraw/zinc/76/51/28/632765128.db2.gz CPAYJNJSBIACRO-WMLDXEAASA-N 2 2 285.391 3.092 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cccnc2o1 ZINC000823683945 633137084 /nfs/dbraw/zinc/13/70/84/633137084.db2.gz MWFAOEFAFAVOFE-HNNXBMFYSA-N 2 2 298.390 3.229 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@@H+]1C ZINC000866574184 633200613 /nfs/dbraw/zinc/20/06/13/633200613.db2.gz QGOWJOVRGNTBII-STQMWFEESA-N 2 2 264.413 3.149 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)o2)CC[N@H+]1C ZINC000866574184 633200616 /nfs/dbraw/zinc/20/06/16/633200616.db2.gz QGOWJOVRGNTBII-STQMWFEESA-N 2 2 264.413 3.149 20 0 CGADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1Cl ZINC000866667028 633229982 /nfs/dbraw/zinc/22/99/82/633229982.db2.gz YUXHSGRLQZDUQX-HIFRSBDPSA-N 2 2 293.842 3.007 20 0 CGADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1Cl ZINC000866667028 633229988 /nfs/dbraw/zinc/22/99/88/633229988.db2.gz YUXHSGRLQZDUQX-HIFRSBDPSA-N 2 2 293.842 3.007 20 0 CGADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000828210724 633584736 /nfs/dbraw/zinc/58/47/36/633584736.db2.gz ACYFMMDEFWYDKE-RHSMWYFYSA-N 2 2 287.407 3.194 20 0 CGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCOC1 ZINC000872027444 633947441 /nfs/dbraw/zinc/94/74/41/633947441.db2.gz JNIAZTWVQWBORQ-WMZOPIPTSA-N 2 2 299.418 3.167 20 0 CGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CCO1 ZINC000872043020 633965694 /nfs/dbraw/zinc/96/56/94/633965694.db2.gz VEMRRRDOQAKNIP-HUUCEWRRSA-N 2 2 291.439 3.067 20 0 CGADLP C[C@H](CC[NH2+][C@@H](C)c1cccc(O)c1F)[NH+]1CCCCC1 ZINC000872061671 633983523 /nfs/dbraw/zinc/98/35/23/633983523.db2.gz FUHIZXQGGXXLOQ-KGLIPLIRSA-N 2 2 294.414 3.446 20 0 CGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC(C)(C)C1 ZINC000872073609 633996106 /nfs/dbraw/zinc/99/61/06/633996106.db2.gz SSGWYALWAAYGIZ-YNEHKIRRSA-N 2 2 261.413 3.071 20 0 CGADLP Cc1cc(Cl)ccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230277 634293284 /nfs/dbraw/zinc/29/32/84/634293284.db2.gz OOBWUXAHUXACIW-GJZGRUSLSA-N 2 2 264.800 3.023 20 0 CGADLP CCOc1cc(F)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000876766005 634895094 /nfs/dbraw/zinc/89/50/94/634895094.db2.gz YYMJMSYQWWZCDX-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000876766005 634895097 /nfs/dbraw/zinc/89/50/97/634895097.db2.gz YYMJMSYQWWZCDX-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000876766005 634895101 /nfs/dbraw/zinc/89/51/01/634895101.db2.gz YYMJMSYQWWZCDX-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP CCOc1cc(F)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000876766005 634895107 /nfs/dbraw/zinc/89/51/07/634895107.db2.gz YYMJMSYQWWZCDX-XJKSGUPXSA-N 2 2 294.414 3.139 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc(C)c1OC(F)F ZINC000841085366 635119928 /nfs/dbraw/zinc/11/99/28/635119928.db2.gz AOCUNOIHJPOEGE-CYBMUJFWSA-N 2 2 298.377 3.135 20 0 CGADLP CCSc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877739114 635173360 /nfs/dbraw/zinc/17/33/60/635173360.db2.gz FKYFPOBDUUQNRS-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877739114 635173366 /nfs/dbraw/zinc/17/33/66/635173366.db2.gz FKYFPOBDUUQNRS-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877739114 635173372 /nfs/dbraw/zinc/17/33/72/635173372.db2.gz FKYFPOBDUUQNRS-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP CCSc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877739114 635173381 /nfs/dbraw/zinc/17/33/81/635173381.db2.gz FKYFPOBDUUQNRS-NVXWUHKLSA-N 2 2 290.476 3.325 20 0 CGADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)nc1Cl ZINC000878033887 635331979 /nfs/dbraw/zinc/33/19/79/635331979.db2.gz BCNANQSSSDZRJY-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)nc1Cl ZINC000878033887 635331993 /nfs/dbraw/zinc/33/19/93/635331993.db2.gz BCNANQSSSDZRJY-UHFFFAOYSA-N 2 2 295.858 3.348 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172165 635393071 /nfs/dbraw/zinc/39/30/71/635393071.db2.gz BUGINZCVDMHJIL-CYBMUJFWSA-N 2 2 283.366 3.346 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3CC4(CCC4)C3)C2)[nH]1 ZINC000878252559 635433466 /nfs/dbraw/zinc/43/34/66/635433466.db2.gz ORJVYASBGCIIKA-CQSZACIVSA-N 2 2 259.397 3.169 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)C2)[nH]1 ZINC000878252559 635433474 /nfs/dbraw/zinc/43/34/74/635433474.db2.gz ORJVYASBGCIIKA-CQSZACIVSA-N 2 2 259.397 3.169 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1Cl ZINC000878253464 635434230 /nfs/dbraw/zinc/43/42/30/635434230.db2.gz NVPRSDZPNIJUAK-LBPRGKRZSA-N 2 2 290.798 3.146 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1Cl ZINC000878253464 635434236 /nfs/dbraw/zinc/43/42/36/635434236.db2.gz NVPRSDZPNIJUAK-LBPRGKRZSA-N 2 2 290.798 3.146 20 0 CGADLP c1ccc(NC2CC[NH+](CCCC3CC3)CC2)[nH+]c1 ZINC000878320620 635459179 /nfs/dbraw/zinc/45/91/79/635459179.db2.gz HWVMYWNZWXJHGR-UHFFFAOYSA-N 2 2 259.397 3.148 20 0 CGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140314 635922769 /nfs/dbraw/zinc/92/27/69/635922769.db2.gz AXWJWZYQLIBQJX-CVEARBPZSA-N 2 2 278.827 3.051 20 0 CGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccc(Cl)cc1 ZINC000880140314 635922773 /nfs/dbraw/zinc/92/27/73/635922773.db2.gz AXWJWZYQLIBQJX-CVEARBPZSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccc(Cl)cc1 ZINC000880140314 635922775 /nfs/dbraw/zinc/92/27/75/635922775.db2.gz AXWJWZYQLIBQJX-CVEARBPZSA-N 2 2 278.827 3.051 20 0 CGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCc1ccc(Cl)cc1 ZINC000880140314 635922778 /nfs/dbraw/zinc/92/27/78/635922778.db2.gz AXWJWZYQLIBQJX-CVEARBPZSA-N 2 2 278.827 3.051 20 0 CGADLP COc1ccc(C)cc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880471145 636006906 /nfs/dbraw/zinc/00/69/06/636006906.db2.gz QREUVPPJGRAJQO-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000880474287 636008449 /nfs/dbraw/zinc/00/84/49/636008449.db2.gz XPCONMBFTTVBKD-UHFFFAOYSA-N 2 2 295.430 3.295 20 0 CGADLP c1cn(C[C@H]([NH2+]CCC2CCOCC2)c2ccccc2)c[nH+]1 ZINC000880569049 636023089 /nfs/dbraw/zinc/02/30/89/636023089.db2.gz GXTIBDNRNDTTOY-SFHVURJKSA-N 2 2 299.418 3.031 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846109447 636145381 /nfs/dbraw/zinc/14/53/81/636145381.db2.gz JKBLJVFLRSNPJO-MDZLAQPJSA-N 2 2 291.266 3.033 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846109447 636145383 /nfs/dbraw/zinc/14/53/83/636145383.db2.gz JKBLJVFLRSNPJO-MDZLAQPJSA-N 2 2 291.266 3.033 20 0 CGADLP c1ccc(NCCC[NH2+][C@@H]2CCCC3(CC3)C2)[nH+]c1 ZINC000883196920 636578967 /nfs/dbraw/zinc/57/89/67/636578967.db2.gz YPLHEPJVDCPTGY-CQSZACIVSA-N 2 2 259.397 3.196 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000883265575 636635736 /nfs/dbraw/zinc/63/57/36/636635736.db2.gz FQFUEHKNZLRTHT-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000883265575 636635741 /nfs/dbraw/zinc/63/57/41/636635741.db2.gz FQFUEHKNZLRTHT-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000883265573 636636198 /nfs/dbraw/zinc/63/61/98/636636198.db2.gz FQFUEHKNZLRTHT-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000883265573 636636205 /nfs/dbraw/zinc/63/62/05/636636205.db2.gz FQFUEHKNZLRTHT-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1 ZINC000849013587 636715234 /nfs/dbraw/zinc/71/52/34/636715234.db2.gz BBDGUIMUYLIGSG-UHFFFAOYSA-N 2 2 291.358 3.009 20 0 CGADLP CC(C)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386155 636727676 /nfs/dbraw/zinc/72/76/76/636727676.db2.gz AMCOWDOAJDKPDI-ZBFHGGJFSA-N 2 2 257.381 3.259 20 0 CGADLP C[C@H](CC1CC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387501 636728351 /nfs/dbraw/zinc/72/83/51/636728351.db2.gz YVOBQMNRAZOCLL-RHSMWYFYSA-N 2 2 269.392 3.403 20 0 CGADLP c1cn(C[C@@H]([NH2+]C2CCCC2)c2ccccc2)c[nH+]1 ZINC000883386729 636728415 /nfs/dbraw/zinc/72/84/15/636728415.db2.gz MAVQQQLDQHGUQA-MRXNPFEDSA-N 2 2 255.365 3.157 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387566 636728586 /nfs/dbraw/zinc/72/85/86/636728586.db2.gz ZQJFNOMWTOFHDA-ZBFHGGJFSA-N 2 2 257.381 3.403 20 0 CGADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCSC2)c2ccccc2)c[nH+]1 ZINC000883386362 636729163 /nfs/dbraw/zinc/72/91/63/636729163.db2.gz DSGNSQOZVCSNNS-HZPDHXFCSA-N 2 2 287.432 3.110 20 0 CGADLP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387497 636729554 /nfs/dbraw/zinc/72/95/54/636729554.db2.gz YUBJFKPENOZOOI-SOLBZPMBSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCOC1 ZINC000883388567 636730594 /nfs/dbraw/zinc/73/05/94/636730594.db2.gz XOHSMWGAJATKTP-JQHSSLGASA-N 2 2 299.418 3.029 20 0 CGADLP CCOC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000850424138 637055648 /nfs/dbraw/zinc/05/56/48/637055648.db2.gz DHBXPVMTDDTORN-UYSNPLJNSA-N 2 2 293.455 3.235 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438384 637064135 /nfs/dbraw/zinc/06/41/35/637064135.db2.gz FGXWXBGGRRKJAH-LSDHHAIUSA-N 2 2 288.435 3.004 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850438384 637064143 /nfs/dbraw/zinc/06/41/43/637064143.db2.gz FGXWXBGGRRKJAH-LSDHHAIUSA-N 2 2 288.435 3.004 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885977280 637340233 /nfs/dbraw/zinc/34/02/33/637340233.db2.gz GUXHAZMAQWGLAD-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885977280 637340234 /nfs/dbraw/zinc/34/02/34/637340234.db2.gz GUXHAZMAQWGLAD-IAGOWNOFSA-N 2 2 294.483 3.332 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)C2)[nH]1 ZINC000886069665 637399142 /nfs/dbraw/zinc/39/91/42/637399142.db2.gz JSZSPXLMKZNOPU-KFWWJZLASA-N 2 2 259.397 3.025 20 0 CGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)[nH]1 ZINC000886069665 637399145 /nfs/dbraw/zinc/39/91/45/637399145.db2.gz JSZSPXLMKZNOPU-KFWWJZLASA-N 2 2 259.397 3.025 20 0 CGADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000886282810 637484504 /nfs/dbraw/zinc/48/45/04/637484504.db2.gz VSHNSXKPXIOFLO-GUYJKWIASA-N 2 2 287.432 3.316 20 0 CGADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000886508742 637545091 /nfs/dbraw/zinc/54/50/91/637545091.db2.gz LYYOKPCVWAJBQY-XHSDSOJGSA-N 2 2 293.455 3.235 20 0 CGADLP Oc1ccc(Cl)c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874361 637715750 /nfs/dbraw/zinc/71/57/50/637715750.db2.gz MMMSSIFJJFXPPE-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP Oc1ccc(Cl)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874361 637715757 /nfs/dbraw/zinc/71/57/57/637715757.db2.gz MMMSSIFJJFXPPE-INIZCTEOSA-N 2 2 294.826 3.011 20 0 CGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000221971999 637770825 /nfs/dbraw/zinc/77/08/25/637770825.db2.gz JUYKAKCKJTVRIK-YOEHRIQHSA-N 2 2 280.431 3.323 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010879 638437361 /nfs/dbraw/zinc/43/73/61/638437361.db2.gz ONRIVMZFPIQOKC-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000925010879 638437363 /nfs/dbraw/zinc/43/73/63/638437363.db2.gz ONRIVMZFPIQOKC-CABCVRRESA-N 2 2 299.418 3.334 20 0 CGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000925051761 638443541 /nfs/dbraw/zinc/44/35/41/638443541.db2.gz MABAMPNXWFNEAT-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000925051761 638443545 /nfs/dbraw/zinc/44/35/45/638443545.db2.gz MABAMPNXWFNEAT-KSZLIROESA-N 2 2 294.483 3.046 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCOC1CCCC1)c1ccccc1 ZINC000925532358 638521457 /nfs/dbraw/zinc/52/14/57/638521457.db2.gz RICHDAWWEYLAGO-WMLDXEAASA-N 2 2 276.424 3.014 20 0 CGADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1 ZINC000925672553 638564457 /nfs/dbraw/zinc/56/44/57/638564457.db2.gz WDTAKUKMKVGKEN-CRAIPNDOSA-N 2 2 295.430 3.181 20 0 CGADLP CCSc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000925732648 638588073 /nfs/dbraw/zinc/58/80/73/638588073.db2.gz QRCZBNPMTBUGMP-IUODEOHRSA-N 2 2 264.438 3.029 20 0 CGADLP C[C@H]([NH2+]Cc1cscc1Cl)c1c[nH+]ccc1N ZINC000925773392 638606802 /nfs/dbraw/zinc/60/68/02/638606802.db2.gz YAIDXIWQVCKVIR-QMMMGPOBSA-N 2 2 267.785 3.060 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925838497 638628413 /nfs/dbraw/zinc/62/84/13/638628413.db2.gz MTHMREHHXZHFPA-DMRZNYOFSA-N 2 2 294.389 3.156 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858111848 638632345 /nfs/dbraw/zinc/63/23/45/638632345.db2.gz VXKMVVUYBHBDFB-BVGQSLNGSA-N 2 2 281.403 3.397 20 0 CGADLP COC1CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926157054 638724528 /nfs/dbraw/zinc/72/45/28/638724528.db2.gz RBZNUXBVDXZZFY-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP COC1CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926157054 638724536 /nfs/dbraw/zinc/72/45/36/638724536.db2.gz RBZNUXBVDXZZFY-FOIPXRHGSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926175862 638729661 /nfs/dbraw/zinc/72/96/61/638729661.db2.gz SCPNKXDIGGITNO-UPJWGTAASA-N 2 2 278.362 3.324 20 0 CGADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926175862 638729666 /nfs/dbraw/zinc/72/96/66/638729666.db2.gz SCPNKXDIGGITNO-UPJWGTAASA-N 2 2 278.362 3.324 20 0 CGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)o1 ZINC000926477866 638775137 /nfs/dbraw/zinc/77/51/37/638775137.db2.gz YJKRMUWVRWHGAF-UHFFFAOYSA-N 2 2 293.455 3.146 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@]1(F)Cl ZINC000926653014 638795232 /nfs/dbraw/zinc/79/52/32/638795232.db2.gz ZWFXWIAUKNELSM-CBBWQLFWSA-N 2 2 288.838 3.298 20 0 CGADLP C[C@]1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@]1(F)Cl ZINC000926653014 638795233 /nfs/dbraw/zinc/79/52/33/638795233.db2.gz ZWFXWIAUKNELSM-CBBWQLFWSA-N 2 2 288.838 3.298 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926807018 638814094 /nfs/dbraw/zinc/81/40/94/638814094.db2.gz JZEAEKPOJJNNAT-PVAVHDDUSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926807018 638814095 /nfs/dbraw/zinc/81/40/95/638814095.db2.gz JZEAEKPOJJNNAT-PVAVHDDUSA-N 2 2 288.435 3.363 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)c(C)[nH+]1 ZINC000930211117 638983515 /nfs/dbraw/zinc/98/35/15/638983515.db2.gz AVKFABVZUGRJFJ-ZDUSSCGKSA-N 2 2 271.408 3.482 20 0 CGADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C1(C)C ZINC000930444075 638998733 /nfs/dbraw/zinc/99/87/33/638998733.db2.gz UKSYGJVSXSNCDH-CABCVRRESA-N 2 2 279.428 3.100 20 0 CGADLP Nc1cc[nH+]c2c1C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000931515356 639163773 /nfs/dbraw/zinc/16/37/73/639163773.db2.gz VUMFUKVVVNPKNR-GOSISDBHSA-N 2 2 297.377 3.239 20 0 CGADLP Nc1cc[nH+]c2c1C[N@H+]([C@@H]1CCCc3ccc(F)cc31)CC2 ZINC000931515356 639163775 /nfs/dbraw/zinc/16/37/75/639163775.db2.gz VUMFUKVVVNPKNR-GOSISDBHSA-N 2 2 297.377 3.239 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932276360 639309878 /nfs/dbraw/zinc/30/98/78/639309878.db2.gz UAZFCKVSYZSQDI-YJBOKZPZSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932276360 639309895 /nfs/dbraw/zinc/30/98/95/639309895.db2.gz UAZFCKVSYZSQDI-YJBOKZPZSA-N 2 2 283.419 3.460 20 0 CGADLP Cc1cccc2c(C)cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC001155582880 805595519 /nfs/dbraw/zinc/59/55/19/805595519.db2.gz CNUKQTZSDYHZEW-KBMXLJTQSA-N 2 2 281.403 3.262 20 0 CGADLP C[NH+]1CCN(c2cccc3[nH+]c([C@H]4CC=CCC4)[nH]c32)CC1 ZINC001250416634 805601221 /nfs/dbraw/zinc/60/12/21/805601221.db2.gz IINFJJSSWRDQHY-AWEZNQCLSA-N 2 2 296.418 3.138 20 0 CGADLP CSc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001156925210 805753119 /nfs/dbraw/zinc/75/31/19/805753119.db2.gz FTVGBLKPGPXJPM-ZDUSSCGKSA-N 2 2 279.453 3.480 20 0 CGADLP CSc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001156925210 805753127 /nfs/dbraw/zinc/75/31/27/805753127.db2.gz FTVGBLKPGPXJPM-ZDUSSCGKSA-N 2 2 279.453 3.480 20 0 CGADLP CCN(CCn1cc[nH+]c1)c1[nH+]ccc2cccc(C)c21 ZINC001157467495 805817446 /nfs/dbraw/zinc/81/74/46/805817446.db2.gz WOZJTHIGFGABGH-UHFFFAOYSA-N 2 2 280.375 3.266 20 0 CGADLP CCOc1cc[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001157742332 805860506 /nfs/dbraw/zinc/86/05/06/805860506.db2.gz BRRWIUYLFKTOSD-CYBMUJFWSA-N 2 2 283.375 3.064 20 0 CGADLP COc1cc(C)c[nH+]c1N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157891785 805900247 /nfs/dbraw/zinc/90/02/47/805900247.db2.gz RCUHDUFDKXAZFK-UHFFFAOYSA-N 2 2 291.439 3.003 20 0 CGADLP CCOc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158271547 805934188 /nfs/dbraw/zinc/93/41/88/805934188.db2.gz IYVJNORFZIEKRV-DYVFJYSZSA-N 2 2 291.439 3.436 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C=C1CCCCC1 ZINC001251862024 805946105 /nfs/dbraw/zinc/94/61/05/805946105.db2.gz HKKCDGRJAJAMML-UHFFFAOYSA-N 2 2 296.374 3.405 20 0 CGADLP COc1ccc2[nH+]c(N3CCC[C@@](C)(C[NH3+])C3)cc(C)c2c1 ZINC001158679386 805985609 /nfs/dbraw/zinc/98/56/09/805985609.db2.gz VVFZDGAXXMKXML-SFHVURJKSA-N 2 2 299.418 3.117 20 0 CGADLP Cc1ccc(C)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1 ZINC001159261615 806068586 /nfs/dbraw/zinc/06/85/86/806068586.db2.gz MGIPOTPQXSRWFS-UHFFFAOYSA-N 2 2 296.418 3.370 20 0 CGADLP c1cn(-c2ccc(Nc3cccc4c3CC[NH2+]C4)cc2)c[nH+]1 ZINC001159429766 806101266 /nfs/dbraw/zinc/10/12/66/806101266.db2.gz ANQFOTUOTXMKFC-UHFFFAOYSA-N 2 2 290.370 3.262 20 0 CGADLP Cc1ccc(Nc2ccc(C3([NH3+])CCC3)cc2)[nH+]c1 ZINC001159730821 806162061 /nfs/dbraw/zinc/16/20/61/806162061.db2.gz UKLLYQITRFTRJW-UHFFFAOYSA-N 2 2 253.349 3.472 20 0 CGADLP c1[nH]c2c(cccc2Nc2ccccc2O[C@@H]2CC[NH2+]C2)[nH+]1 ZINC001160166897 806231081 /nfs/dbraw/zinc/23/10/81/806231081.db2.gz KHTZAHRULBAEFL-GFCCVEGCSA-N 2 2 294.358 3.047 20 0 CGADLP C1CC[C@@H]2[C@H](C1)CCC[C@@H]2[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840126 806494712 /nfs/dbraw/zinc/49/47/12/806494712.db2.gz CHJYTPSTSZZAKD-XDNAFOTISA-N 2 2 276.468 3.419 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)c2ccccc21 ZINC001254840327 806494823 /nfs/dbraw/zinc/49/48/23/806494823.db2.gz GTHMOKHVSGCGSB-DDUZABMNSA-N 2 2 270.420 3.309 20 0 CGADLP CC1(C)CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847397 806497067 /nfs/dbraw/zinc/49/70/67/806497067.db2.gz GQQHQWAZJJODAD-HNNXBMFYSA-N 2 2 250.430 3.029 20 0 CGADLP Clc1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851047 806498282 /nfs/dbraw/zinc/49/82/82/806498282.db2.gz KVIPRVMFSHUAAG-YESZJQIVSA-N 2 2 290.838 3.270 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851039 806498480 /nfs/dbraw/zinc/49/84/80/806498480.db2.gz KTYYWUBVTWZOCH-GBESFXJTSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254851038 806499060 /nfs/dbraw/zinc/49/90/60/806499060.db2.gz KTYYWUBVTWZOCH-CEXWTWQISA-N 2 2 284.447 3.397 20 0 CGADLP Cc1ccc2cccc(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)c2n1 ZINC001254853487 806500906 /nfs/dbraw/zinc/50/09/06/806500906.db2.gz WOTQDRLNNQUIPX-GOSISDBHSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1cc(NC[C@]2(CC3CC3)CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC001162353063 806562707 /nfs/dbraw/zinc/56/27/07/806562707.db2.gz IVECTMWUXWYKPN-QGZVFWFLSA-N 2 2 288.439 3.243 20 0 CGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001162465144 806591432 /nfs/dbraw/zinc/59/14/32/806591432.db2.gz CYKOIXDIFXURFW-HOCLYGCPSA-N 2 2 298.434 3.135 20 0 CGADLP Clc1ccc2c(cc[nH+]c2N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162793039 806667288 /nfs/dbraw/zinc/66/72/88/806667288.db2.gz JTUVXBDNPRTQDW-TUKIKUTGSA-N 2 2 285.778 3.074 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1 ZINC000037156160 798861227 /nfs/dbraw/zinc/86/12/27/798861227.db2.gz GSGHMUKOWIEVAD-OAHLLOKOSA-N 2 2 275.371 3.227 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)o1 ZINC000037509489 798868645 /nfs/dbraw/zinc/86/86/45/798868645.db2.gz JFIBNMCOXJKYRG-LBPRGKRZSA-N 2 2 281.787 3.334 20 0 CGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037643850 798872103 /nfs/dbraw/zinc/87/21/03/798872103.db2.gz QQEVUFJYFWZBOU-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037643850 798872108 /nfs/dbraw/zinc/87/21/08/798872108.db2.gz QQEVUFJYFWZBOU-NSHDSACASA-N 2 2 287.234 3.425 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711541 806715182 /nfs/dbraw/zinc/71/51/82/806715182.db2.gz XXEVZPHLRNGTEV-WCQYABFASA-N 2 2 278.362 3.134 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711541 806715184 /nfs/dbraw/zinc/71/51/84/806715184.db2.gz XXEVZPHLRNGTEV-WCQYABFASA-N 2 2 278.362 3.134 20 0 CGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711539 806715720 /nfs/dbraw/zinc/71/57/20/806715720.db2.gz XXEVZPHLRNGTEV-AAEUAGOBSA-N 2 2 278.362 3.134 20 0 CGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255711539 806715722 /nfs/dbraw/zinc/71/57/22/806715722.db2.gz XXEVZPHLRNGTEV-AAEUAGOBSA-N 2 2 278.362 3.134 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255736770 806727272 /nfs/dbraw/zinc/72/72/72/806727272.db2.gz CJVBQPXPJYKVHE-CYBMUJFWSA-N 2 2 296.455 3.332 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255736770 806727277 /nfs/dbraw/zinc/72/72/77/806727277.db2.gz CJVBQPXPJYKVHE-CYBMUJFWSA-N 2 2 296.455 3.332 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cccnc21 ZINC000316853293 799243111 /nfs/dbraw/zinc/24/31/11/799243111.db2.gz SESPBNZPVFLPIC-HOTGVXAUSA-N 2 2 298.434 3.360 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1csc2ccccc12 ZINC000381359035 799377768 /nfs/dbraw/zinc/37/77/68/799377768.db2.gz JVVWOEILOXAZCM-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1csc2ccccc12 ZINC000381359035 799377775 /nfs/dbraw/zinc/37/77/75/799377775.db2.gz JVVWOEILOXAZCM-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP CCCc1cc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC001163366089 806751140 /nfs/dbraw/zinc/75/11/40/806751140.db2.gz RCKLAHZOZQYDEJ-XJKSGUPXSA-N 2 2 290.455 3.268 20 0 CGADLP CCCc1cc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC001163366089 806751149 /nfs/dbraw/zinc/75/11/49/806751149.db2.gz RCKLAHZOZQYDEJ-XJKSGUPXSA-N 2 2 290.455 3.268 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccco2)c2ccccc2)C12CCC2 ZINC000405402065 799584084 /nfs/dbraw/zinc/58/40/84/799584084.db2.gz KJZXVAXAWYUVHB-BRWVUGGUSA-N 2 2 282.387 3.229 20 0 CGADLP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCCC[NH2+]C1 ZINC000696998431 799842688 /nfs/dbraw/zinc/84/26/88/799842688.db2.gz LZAAXLFDOQPNBI-CYBMUJFWSA-N 2 2 266.816 3.162 20 0 CGADLP C[N@H+](Cc1ccccc1Cl)C[C@@H]1CCCC[NH2+]C1 ZINC000696998431 799842696 /nfs/dbraw/zinc/84/26/96/799842696.db2.gz LZAAXLFDOQPNBI-CYBMUJFWSA-N 2 2 266.816 3.162 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(OC)c1F ZINC001255950238 806794249 /nfs/dbraw/zinc/79/42/49/806794249.db2.gz FZUKCXUGSNMIOB-CYBMUJFWSA-N 2 2 282.403 3.044 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000718093240 800211440 /nfs/dbraw/zinc/21/14/40/800211440.db2.gz RJPKLAFZEDXZRN-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000718093240 800211443 /nfs/dbraw/zinc/21/14/43/800211443.db2.gz RJPKLAFZEDXZRN-FHLIZLRMSA-N 2 2 272.436 3.285 20 0 CGADLP CC[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@@H]1CC1(C)C ZINC000722406405 800322739 /nfs/dbraw/zinc/32/27/39/800322739.db2.gz GTDYLVVTLOIBIE-STQMWFEESA-N 2 2 281.469 3.119 20 0 CGADLP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccncc1 ZINC001256194718 806847468 /nfs/dbraw/zinc/84/74/68/806847468.db2.gz LBEMWJSAHQKBFZ-IBGZPJMESA-N 2 2 295.430 3.163 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256551725 806915164 /nfs/dbraw/zinc/91/51/64/806915164.db2.gz VELAGOXSMCQISC-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256551725 806915168 /nfs/dbraw/zinc/91/51/68/806915168.db2.gz VELAGOXSMCQISC-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551725 806915172 /nfs/dbraw/zinc/91/51/72/806915172.db2.gz VELAGOXSMCQISC-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001256551725 806915177 /nfs/dbraw/zinc/91/51/77/806915177.db2.gz VELAGOXSMCQISC-KBAYOESNSA-N 2 2 290.426 3.473 20 0 CGADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC001256561546 806916512 /nfs/dbraw/zinc/91/65/12/806916512.db2.gz AHHWICCLTFMOLC-AWEZNQCLSA-N 2 2 275.440 3.304 20 0 CGADLP COc1cccc2c1C[N@@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256574755 806921313 /nfs/dbraw/zinc/92/13/13/806921313.db2.gz DWQJWTQDZYEBES-UHFFFAOYSA-N 2 2 288.435 3.274 20 0 CGADLP COc1cccc2c1C[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256574755 806921319 /nfs/dbraw/zinc/92/13/19/806921319.db2.gz DWQJWTQDZYEBES-UHFFFAOYSA-N 2 2 288.435 3.274 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH+]2CC3CCC(CC3)C2)CC1 ZINC001256574486 806921611 /nfs/dbraw/zinc/92/16/11/806921611.db2.gz AKILICKDDWCALW-UHFFFAOYSA-N 2 2 264.457 3.371 20 0 CGADLP C[C@@H](Cc1ccncc1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001256732590 806962860 /nfs/dbraw/zinc/96/28/60/806962860.db2.gz UXJSNLCKLFAJCN-AWEZNQCLSA-N 2 2 292.386 3.208 20 0 CGADLP CC[C@H](C)[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116518007 802370014 /nfs/dbraw/zinc/37/00/14/802370014.db2.gz ZSYCCSOAFVARGO-NWDGAFQWSA-N 2 2 286.379 3.196 20 0 CGADLP Cc1coc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001119507541 802673696 /nfs/dbraw/zinc/67/36/96/802673696.db2.gz LVAADPITAKJZBF-HNNXBMFYSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1coc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001119507541 802673702 /nfs/dbraw/zinc/67/37/02/802673702.db2.gz LVAADPITAKJZBF-HNNXBMFYSA-N 2 2 262.397 3.038 20 0 CGADLP Cc1cc(F)cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC001120862781 802788569 /nfs/dbraw/zinc/78/85/69/802788569.db2.gz NCZFOIHOQMGIBW-AWEZNQCLSA-N 2 2 277.387 3.063 20 0 CGADLP Cc1cc(F)cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC001120862781 802788573 /nfs/dbraw/zinc/78/85/73/802788573.db2.gz NCZFOIHOQMGIBW-AWEZNQCLSA-N 2 2 277.387 3.063 20 0 CGADLP CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1F ZINC001205281072 812929036 /nfs/dbraw/zinc/92/90/36/812929036.db2.gz PGGYPVGXUXSYSF-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1F ZINC001205281072 812929039 /nfs/dbraw/zinc/92/90/39/812929039.db2.gz PGGYPVGXUXSYSF-MRXNPFEDSA-N 2 2 298.377 3.067 20 0 CGADLP [NH3+]CCc1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001243978141 803115996 /nfs/dbraw/zinc/11/59/96/803115996.db2.gz JLQKIGRGJPRLGA-UHFFFAOYSA-N 2 2 263.344 3.245 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccccc2Cn2cc[nH+]c2)c1F ZINC001244864066 803554439 /nfs/dbraw/zinc/55/44/39/803554439.db2.gz YPJDKTLSRYTCFH-UHFFFAOYSA-N 2 2 295.361 3.457 20 0 CGADLP Nc1cn2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH+]1 ZINC001245352016 803709353 /nfs/dbraw/zinc/70/93/53/803709353.db2.gz VBGHJDCMUYSESL-HNNXBMFYSA-N 2 2 278.359 3.008 20 0 CGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3scc(C)c3Cl)C[C@H]2C1 ZINC001137294028 803711670 /nfs/dbraw/zinc/71/16/70/803711670.db2.gz NEGDVGXLBMGIPU-CHWSQXEVSA-N 2 2 298.883 3.484 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)nc2)C2CCCC2)CC1 ZINC001137743870 803766427 /nfs/dbraw/zinc/76/64/27/803766427.db2.gz DDXLIXKFTWPGJC-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)nc2)C2CCCC2)CC1 ZINC001137743870 803766431 /nfs/dbraw/zinc/76/64/31/803766431.db2.gz DDXLIXKFTWPGJC-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP CC[NH+](CC)Cc1ccccc1Nc1[nH+]cccc1N ZINC001211986629 814963546 /nfs/dbraw/zinc/96/35/46/814963546.db2.gz QDLJZWVIDRYVEU-UHFFFAOYSA-N 2 2 270.380 3.249 20 0 CGADLP CN(C)c1cc(-c2ccc(C3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC001245527000 803790887 /nfs/dbraw/zinc/79/08/87/803790887.db2.gz RGFPMVVMLAIBPQ-UHFFFAOYSA-N 2 2 281.403 3.282 20 0 CGADLP Cc1ccc2[nH]c(C[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC001138414484 803923407 /nfs/dbraw/zinc/92/34/07/803923407.db2.gz DFTYBXKRUVRNRG-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP Cc1ccc2[nH]c(C[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC001138414484 803923412 /nfs/dbraw/zinc/92/34/12/803923412.db2.gz DFTYBXKRUVRNRG-UHFFFAOYSA-N 2 2 271.408 3.002 20 0 CGADLP CC[N@H+](Cc1cc(Cl)ccc1OC)C1CC[NH+](C)CC1 ZINC001138482019 803947407 /nfs/dbraw/zinc/94/74/07/803947407.db2.gz YQOPGUBRRBGHQB-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)ccc1OC)C1CC[NH+](C)CC1 ZINC001138482019 803947412 /nfs/dbraw/zinc/94/74/12/803947412.db2.gz YQOPGUBRRBGHQB-UHFFFAOYSA-N 2 2 296.842 3.265 20 0 CGADLP CCCCOc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001138954436 804084667 /nfs/dbraw/zinc/08/46/67/804084667.db2.gz LCHVMGOPQKAALM-UHFFFAOYSA-N 2 2 290.451 3.392 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)CC(C)(C)C1 ZINC001246073927 804112626 /nfs/dbraw/zinc/11/26/26/804112626.db2.gz AZPAZQQWAPYPHY-VNQPRFMTSA-N 2 2 260.425 3.491 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246094336 804126796 /nfs/dbraw/zinc/12/67/96/804126796.db2.gz DYZPXHMIGNCGNK-QAETUUGQSA-N 2 2 276.399 3.002 20 0 CGADLP CCn1ccc2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC001139119581 804129869 /nfs/dbraw/zinc/12/98/69/804129869.db2.gz VBVUEDGZWQSLEO-UHFFFAOYSA-N 2 2 285.435 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)cc21 ZINC001139120059 804131644 /nfs/dbraw/zinc/13/16/44/804131644.db2.gz JVZMTLQSNXUWKM-PKOBYXMFSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)cc21 ZINC001139120059 804131648 /nfs/dbraw/zinc/13/16/48/804131648.db2.gz JVZMTLQSNXUWKM-PKOBYXMFSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)cc21 ZINC001139120059 804131654 /nfs/dbraw/zinc/13/16/54/804131654.db2.gz JVZMTLQSNXUWKM-PKOBYXMFSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)cc21 ZINC001139120059 804131657 /nfs/dbraw/zinc/13/16/57/804131657.db2.gz JVZMTLQSNXUWKM-PKOBYXMFSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)cc21 ZINC001139120057 804132737 /nfs/dbraw/zinc/13/27/37/804132737.db2.gz JVZMTLQSNXUWKM-IEBWSBKVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)cc21 ZINC001139120057 804132741 /nfs/dbraw/zinc/13/27/41/804132741.db2.gz JVZMTLQSNXUWKM-IEBWSBKVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)cc21 ZINC001139120057 804132743 /nfs/dbraw/zinc/13/27/43/804132743.db2.gz JVZMTLQSNXUWKM-IEBWSBKVSA-N 2 2 297.446 3.187 20 0 CGADLP CCn1ccc2ccc(C[NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)cc21 ZINC001139120057 804132746 /nfs/dbraw/zinc/13/27/46/804132746.db2.gz JVZMTLQSNXUWKM-IEBWSBKVSA-N 2 2 297.446 3.187 20 0 CGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246113717 804144846 /nfs/dbraw/zinc/14/48/46/804144846.db2.gz ZHVUDXMRRGDAGL-GXFFZTMASA-N 2 2 287.234 3.266 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246115111 804146557 /nfs/dbraw/zinc/14/65/57/804146557.db2.gz GIGNXBAGIAJSLT-MJVIPROJSA-N 2 2 284.856 3.018 20 0 CGADLP CCC(C)(C)C1CCC([NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)CC1 ZINC001246133468 804159521 /nfs/dbraw/zinc/15/95/21/804159521.db2.gz JNNWCOJTSLUYQJ-QLQQRZLESA-N 2 2 294.483 3.090 20 0 CGADLP CC[C@H]1CC([NH2+]Cc2cc(F)ccc2F)C[C@H](CC)[NH2+]1 ZINC001246160888 804177745 /nfs/dbraw/zinc/17/77/45/804177745.db2.gz VYEVSXQYROLVCX-KBPBESRZSA-N 2 2 282.378 3.364 20 0 CGADLP c1ccc(C[NH2+]CC[NH2+]C2CCCCCCC2)cc1 ZINC001246171577 804186132 /nfs/dbraw/zinc/18/61/32/804186132.db2.gz RYIOKKCSYQZZCU-UHFFFAOYSA-N 2 2 260.425 3.479 20 0 CGADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC001246175617 804189918 /nfs/dbraw/zinc/18/99/18/804189918.db2.gz LMKKXQHBKCTCDZ-ZDUSSCGKSA-N 2 2 297.240 3.026 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCCC)CC[NH2+]1 ZINC001246185311 804196406 /nfs/dbraw/zinc/19/64/06/804196406.db2.gz UBZXTCNBCSBXMI-IAGOWNOFSA-N 3 2 283.504 3.009 20 0 CGADLP CCCC[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCCC)CC[NH2+]1 ZINC001246185311 804196408 /nfs/dbraw/zinc/19/64/08/804196408.db2.gz UBZXTCNBCSBXMI-IAGOWNOFSA-N 3 2 283.504 3.009 20 0 CGADLP Cc1ccc(SC[C@@H](C)[NH2+][C@]2(C)CCC[NH2+]C2)cc1 ZINC001246192096 804200900 /nfs/dbraw/zinc/20/09/00/804200900.db2.gz ZCEISMHMHFGTBJ-GDBMZVCRSA-N 2 2 278.465 3.207 20 0 CGADLP C[C@H]1C[C@H]([NH2+][C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@@H](C)C1 ZINC001246196450 804203795 /nfs/dbraw/zinc/20/37/95/804203795.db2.gz XICLJPYYCOKOOH-UNJBNNCHSA-N 2 2 292.389 3.331 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1F ZINC001246224829 804218567 /nfs/dbraw/zinc/21/85/67/804218567.db2.gz JGVWGBNOSXQUII-UONOGXRCSA-N 2 2 282.378 3.139 20 0 CGADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)C)C2)c(F)c1F ZINC001246224832 804218606 /nfs/dbraw/zinc/21/86/06/804218606.db2.gz JGVWGBNOSXQUII-ZIAGYGMSSA-N 2 2 282.378 3.139 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2C(F)(F)F)CC[NH2+]1 ZINC001246229064 804221513 /nfs/dbraw/zinc/22/15/13/804221513.db2.gz KABXLMIUAKZAEV-NXEZZACHSA-N 2 2 290.304 3.075 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]1 ZINC001246230257 804224057 /nfs/dbraw/zinc/22/40/57/804224057.db2.gz FLHGESCHNYTOMC-HIFRSBDPSA-N 2 2 284.806 3.345 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C(F)(F)F ZINC001246232449 804225683 /nfs/dbraw/zinc/22/56/83/804225683.db2.gz JBAZVTUOCQJLDE-ZDUSSCGKSA-N 2 2 286.341 3.246 20 0 CGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2Cl)CC[NH2+]1 ZINC001246236753 804228007 /nfs/dbraw/zinc/22/80/07/804228007.db2.gz YYCURHHEWJXNMB-OCCSQVGLSA-N 2 2 284.806 3.345 20 0 CGADLP CC(C)=CCC/C(C)=C/C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246246324 804236389 /nfs/dbraw/zinc/23/63/89/804236389.db2.gz SYEBXHPRSSCQJV-HZWIXDFKSA-N 2 2 250.430 3.409 20 0 CGADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC001246275858 804251884 /nfs/dbraw/zinc/25/18/84/804251884.db2.gz XVLCKLKFUMGWED-CVEARBPZSA-N 2 2 262.372 3.009 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001246294476 804264693 /nfs/dbraw/zinc/26/46/93/804264693.db2.gz SFHBBXVQBHKVKH-WCQYABFASA-N 2 2 252.789 3.051 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246295539 804265004 /nfs/dbraw/zinc/26/50/04/804265004.db2.gz PAJXCXBPJJKFNP-RDJZCZTQSA-N 2 2 284.488 3.482 20 0 CGADLP CCCCC(CCCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246334447 804289513 /nfs/dbraw/zinc/28/95/13/804289513.db2.gz CYTVRXAGAGZKIV-AWEZNQCLSA-N 2 2 258.475 3.030 20 0 CGADLP CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246346113 804295550 /nfs/dbraw/zinc/29/55/50/804295550.db2.gz DQDQVWVEXNTYIM-HNNXBMFYSA-N 2 2 276.424 3.096 20 0 CGADLP c1ccc2c(c1)cccc2C1([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246350614 804299776 /nfs/dbraw/zinc/29/97/76/804299776.db2.gz RMTQUULWKPDRCY-OAHLLOKOSA-N 2 2 266.388 3.171 20 0 CGADLP Fc1cccc([C@@H](CC2CC2)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246453058 804335405 /nfs/dbraw/zinc/33/54/05/804335405.db2.gz SMWJTFVKGOZEMQ-IAGOWNOFSA-N 2 2 276.399 3.399 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC001246460179 804343132 /nfs/dbraw/zinc/34/31/32/804343132.db2.gz CRPMUCWCOUUBOP-LSDHHAIUSA-N 2 2 268.351 3.148 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC2CC(C2)C1 ZINC001140027410 804354600 /nfs/dbraw/zinc/35/46/00/804354600.db2.gz LSJPKRTUSYVXEB-UHFFFAOYSA-N 2 2 267.376 3.023 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCOC(C)(C)C1 ZINC001140028202 804355836 /nfs/dbraw/zinc/35/58/36/804355836.db2.gz NQKWVRWRNZBIFF-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCOC(C)(C)C1 ZINC001140028202 804355846 /nfs/dbraw/zinc/35/58/46/804355846.db2.gz NQKWVRWRNZBIFF-UHFFFAOYSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C[NH2+]1 ZINC001246503123 804364054 /nfs/dbraw/zinc/36/40/54/804364054.db2.gz YDIFMDMNPQRMDB-XHBSWPGZSA-N 2 2 278.827 3.448 20 0 CGADLP COc1cccc([C@@H](C[NH3+])[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC001246512473 804368071 /nfs/dbraw/zinc/36/80/71/804368071.db2.gz UHWNWAWZNQODML-GOEBONIOSA-N 2 2 276.424 3.253 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537108 804386725 /nfs/dbraw/zinc/38/67/25/804386725.db2.gz BGXDENDFHVBKES-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001246537108 804386731 /nfs/dbraw/zinc/38/67/31/804386731.db2.gz BGXDENDFHVBKES-DOMZBBRYSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246544381 804392581 /nfs/dbraw/zinc/39/25/81/804392581.db2.gz VFHVKWOFYAKSHS-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+]C[C@H]1CCCC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246544381 804392590 /nfs/dbraw/zinc/39/25/90/804392590.db2.gz VFHVKWOFYAKSHS-ZIAGYGMSSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246557155 804406172 /nfs/dbraw/zinc/40/61/72/804406172.db2.gz FDEINQAMZCDGLQ-TZMCWYRMSA-N 2 2 266.816 3.084 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001246557155 804406175 /nfs/dbraw/zinc/40/61/75/804406175.db2.gz FDEINQAMZCDGLQ-TZMCWYRMSA-N 2 2 266.816 3.084 20 0 CGADLP [NH3+][C@@H]1CCCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558266 804408122 /nfs/dbraw/zinc/40/81/22/804408122.db2.gz KFNXNAPDIJRMIB-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP [NH3+][C@@H]1CCCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246558266 804408126 /nfs/dbraw/zinc/40/81/26/804408126.db2.gz KFNXNAPDIJRMIB-KGLIPLIRSA-N 2 2 278.827 3.011 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568379 804415569 /nfs/dbraw/zinc/41/55/69/804415569.db2.gz RMFNWYGRIXZBRB-UHIISALHSA-N 2 2 284.856 3.100 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568379 804415570 /nfs/dbraw/zinc/41/55/70/804415570.db2.gz RMFNWYGRIXZBRB-UHIISALHSA-N 2 2 284.856 3.100 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575636 804422566 /nfs/dbraw/zinc/42/25/66/804422566.db2.gz IPFNAOOZIZGXCD-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246575636 804422567 /nfs/dbraw/zinc/42/25/67/804422567.db2.gz IPFNAOOZIZGXCD-CJNGLKHVSA-N 2 2 298.833 3.424 20 0 CGADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587209 804429985 /nfs/dbraw/zinc/42/99/85/804429985.db2.gz GBQGBDLZOUHDOO-ZOBORPQBSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1C[C@H]([N@H+]2CCCC(F)(F)[C@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246587209 804429991 /nfs/dbraw/zinc/42/99/91/804429991.db2.gz GBQGBDLZOUHDOO-ZOBORPQBSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1CC([N@@H+]2CCCC(F)(F)[C@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246587208 804430435 /nfs/dbraw/zinc/43/04/35/804430435.db2.gz GBQGBDLZOUHDOO-YRGRVCCFSA-N 2 2 292.389 3.365 20 0 CGADLP CC[C@@H]1CC([N@H+]2CCCC(F)(F)[C@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246587208 804430439 /nfs/dbraw/zinc/43/04/39/804430439.db2.gz GBQGBDLZOUHDOO-YRGRVCCFSA-N 2 2 292.389 3.365 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610286 804445318 /nfs/dbraw/zinc/44/53/18/804445318.db2.gz OZOUBWYEULYYQX-IAGOWNOFSA-N 2 2 290.838 3.025 20 0 CGADLP Clc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)C2 ZINC001246610286 804445324 /nfs/dbraw/zinc/44/53/24/804445324.db2.gz OZOUBWYEULYYQX-IAGOWNOFSA-N 2 2 290.838 3.025 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649941 804476770 /nfs/dbraw/zinc/47/67/70/804476770.db2.gz RZODZQRIAQCXKV-YESZJQIVSA-N 2 2 282.472 3.046 20 0 CGADLP CCC[C@H](C)CC[C@H](C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649941 804476772 /nfs/dbraw/zinc/47/67/72/804476772.db2.gz RZODZQRIAQCXKV-YESZJQIVSA-N 2 2 282.472 3.046 20 0 CGADLP CCC(C)(C)C1CCC([N@@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246667815 804487795 /nfs/dbraw/zinc/48/77/95/804487795.db2.gz VSMBSBIFQNOBTC-GQGLESIBSA-N 2 2 294.483 3.044 20 0 CGADLP CCC(C)(C)C1CCC([N@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001246667815 804487800 /nfs/dbraw/zinc/48/78/00/804487800.db2.gz VSMBSBIFQNOBTC-GQGLESIBSA-N 2 2 294.483 3.044 20 0 CGADLP CC[C@H]1C[C@H]([N@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771791 804504821 /nfs/dbraw/zinc/50/48/21/804504821.db2.gz ZSZOKMQNAZEWHF-UONOGXRCSA-N 2 2 266.816 3.302 20 0 CGADLP CC[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246771791 804504825 /nfs/dbraw/zinc/50/48/25/804504825.db2.gz ZSZOKMQNAZEWHF-UONOGXRCSA-N 2 2 266.816 3.302 20 0 CGADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779388 804506486 /nfs/dbraw/zinc/50/64/86/804506486.db2.gz SNKHBDBSVNBFQX-PBHICJAKSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc3ccccc32)C[NH2+]1 ZINC001246779388 804506493 /nfs/dbraw/zinc/50/64/93/804506493.db2.gz SNKHBDBSVNBFQX-PBHICJAKSA-N 2 2 268.404 3.412 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802581 804520867 /nfs/dbraw/zinc/52/08/67/804520867.db2.gz ZTXXLQMDHWNWFT-LLVKDONJSA-N 2 2 279.334 3.430 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCC1(F)F ZINC001140802581 804520869 /nfs/dbraw/zinc/52/08/69/804520869.db2.gz ZTXXLQMDHWNWFT-LLVKDONJSA-N 2 2 279.334 3.430 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001140806450 804523171 /nfs/dbraw/zinc/52/31/71/804523171.db2.gz HXWCKTJNOHNWGT-UHFFFAOYSA-N 2 2 255.365 3.329 20 0 CGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC2(CCCC2)C1 ZINC001140806450 804523177 /nfs/dbraw/zinc/52/31/77/804523177.db2.gz HXWCKTJNOHNWGT-UHFFFAOYSA-N 2 2 255.365 3.329 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246820074 804535600 /nfs/dbraw/zinc/53/56/00/804535600.db2.gz DYJUEIKZZGKIMZ-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCCC[NH2+]C2)cc1 ZINC001246820074 804535604 /nfs/dbraw/zinc/53/56/04/804535604.db2.gz DYJUEIKZZGKIMZ-WMZOPIPTSA-N 2 2 288.435 3.364 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830308 804541027 /nfs/dbraw/zinc/54/10/27/804541027.db2.gz TVDDSLYKWXXOQM-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP FC(F)(F)c1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246830308 804541032 /nfs/dbraw/zinc/54/10/32/804541032.db2.gz TVDDSLYKWXXOQM-DZGCQCFKSA-N 2 2 298.352 3.247 20 0 CGADLP Clc1ccc2c(c1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246835674 804544789 /nfs/dbraw/zinc/54/47/89/804544789.db2.gz LNLVWEBKLPNWBC-FVQHAEBGSA-N 2 2 290.838 3.371 20 0 CGADLP Clc1ccc2c(c1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC001246835674 804544794 /nfs/dbraw/zinc/54/47/94/804544794.db2.gz LNLVWEBKLPNWBC-FVQHAEBGSA-N 2 2 290.838 3.371 20 0 CGADLP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848576 804557538 /nfs/dbraw/zinc/55/75/38/804557538.db2.gz WOUCXAUEPNMVPH-GFHHTVLPSA-N 2 2 292.467 3.309 20 0 CGADLP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246848576 804557542 /nfs/dbraw/zinc/55/75/42/804557542.db2.gz WOUCXAUEPNMVPH-GFHHTVLPSA-N 2 2 292.467 3.309 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246853485 804561689 /nfs/dbraw/zinc/56/16/89/804561689.db2.gz MHOTWPJKDSZHOL-TYNCELHUSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246853485 804561692 /nfs/dbraw/zinc/56/16/92/804561692.db2.gz MHOTWPJKDSZHOL-TYNCELHUSA-N 2 2 296.867 3.244 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C[C@H](C)[NH2+]1 ZINC001246875446 804574666 /nfs/dbraw/zinc/57/46/66/804574666.db2.gz VXXRUYQIELKUDB-DABQJJPHSA-N 2 2 278.827 3.227 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)C[C@H](C)[NH2+]1 ZINC001246875446 804574672 /nfs/dbraw/zinc/57/46/72/804574672.db2.gz VXXRUYQIELKUDB-DABQJJPHSA-N 2 2 278.827 3.227 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923338 804602176 /nfs/dbraw/zinc/60/21/76/804602176.db2.gz WBJQEJZKZYMEIS-UBHSHLNASA-N 2 2 290.373 3.324 20 0 CGADLP FC(F)(F)[C@H]1CCC[C@H]([N@H+]2CCC[C@H]([NH2+]C3CC3)C2)C1 ZINC001246923338 804602182 /nfs/dbraw/zinc/60/21/82/804602182.db2.gz WBJQEJZKZYMEIS-UBHSHLNASA-N 2 2 290.373 3.324 20 0 CGADLP Fc1cccc(C[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933596 804607382 /nfs/dbraw/zinc/60/73/82/804607382.db2.gz HFWCJPDASVMOQO-MVJTYMMSSA-N 2 2 288.410 3.178 20 0 CGADLP Fc1cccc(C[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246933596 804607389 /nfs/dbraw/zinc/60/73/89/804607389.db2.gz HFWCJPDASVMOQO-MVJTYMMSSA-N 2 2 288.410 3.178 20 0 CGADLP COc1cccc(C2CC[NH+]([C@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246944402 804612797 /nfs/dbraw/zinc/61/27/97/804612797.db2.gz XGHMDEHLDQTZTP-YOEHRIQHSA-N 2 2 288.435 3.015 20 0 CGADLP CCC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141237104 804621354 /nfs/dbraw/zinc/62/13/54/804621354.db2.gz MIYPQMIMENXHGP-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CCC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141237104 804621357 /nfs/dbraw/zinc/62/13/57/804621357.db2.gz MIYPQMIMENXHGP-UHFFFAOYSA-N 2 2 269.392 3.494 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1csc(Cl)c1 ZINC001142776045 804769173 /nfs/dbraw/zinc/76/91/73/804769173.db2.gz RMBGLECADFDOFH-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1csc(Cl)c1 ZINC001142776045 804769176 /nfs/dbraw/zinc/76/91/76/804769176.db2.gz RMBGLECADFDOFH-UHFFFAOYSA-N 2 2 269.801 3.120 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)ccc1[NH+](C)C ZINC001165290163 806989478 /nfs/dbraw/zinc/98/94/78/806989478.db2.gz PDWMARGURYFLRZ-OAHLLOKOSA-N 2 2 275.440 3.205 20 0 CGADLP Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)ccc1[NH+](C)C ZINC001165290163 806989483 /nfs/dbraw/zinc/98/94/83/806989483.db2.gz PDWMARGURYFLRZ-OAHLLOKOSA-N 2 2 275.440 3.205 20 0 CGADLP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2[nH]ccc21 ZINC001248818109 805005358 /nfs/dbraw/zinc/00/53/58/805005358.db2.gz XVNOUGREVLJMAG-UHFFFAOYSA-N 2 2 298.365 3.341 20 0 CGADLP CC[N@H+](Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC001249458036 805153848 /nfs/dbraw/zinc/15/38/48/805153848.db2.gz CDGBLFJGBVQQIG-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP CC[N@@H+](Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC001249458036 805153853 /nfs/dbraw/zinc/15/38/53/805153853.db2.gz CDGBLFJGBVQQIG-UHFFFAOYSA-N 2 2 272.436 3.091 20 0 CGADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001155034053 805527424 /nfs/dbraw/zinc/52/74/24/805527424.db2.gz VOGUKRCBSBAAQS-GXTWGEPZSA-N 2 2 290.455 3.130 20 0 CGADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001155034054 805527522 /nfs/dbraw/zinc/52/75/22/805527522.db2.gz VOGUKRCBSBAAQS-JSGCOSHPSA-N 2 2 290.455 3.130 20 0 CGADLP Cc1cccc2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nc12 ZINC001155052796 805529048 /nfs/dbraw/zinc/52/90/48/805529048.db2.gz GRGMSILLEINNGQ-UHFFFAOYSA-N 2 2 292.386 3.196 20 0 CGADLP C[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855212 806992838 /nfs/dbraw/zinc/99/28/38/806992838.db2.gz IJQYPGSONXMKKZ-CYBMUJFWSA-N 2 2 295.377 3.028 20 0 CGADLP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC001256855212 806992843 /nfs/dbraw/zinc/99/28/43/806992843.db2.gz IJQYPGSONXMKKZ-CYBMUJFWSA-N 2 2 295.377 3.028 20 0 CGADLP Nc1cc[nH+]c(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)c1 ZINC001166650068 807075802 /nfs/dbraw/zinc/07/58/02/807075802.db2.gz RHEIXAGJPHIPGM-CQSZACIVSA-N 2 2 278.359 3.032 20 0 CGADLP CCCC[C@H](CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001257425602 807149854 /nfs/dbraw/zinc/14/98/54/807149854.db2.gz VLBYOXWGGCTSHO-KRWDZBQOSA-N 3 2 285.520 3.161 20 0 CGADLP C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3N)cc2)CC1 ZINC001212687650 815103192 /nfs/dbraw/zinc/10/31/92/815103192.db2.gz FENBXYXCSWGZRA-UHFFFAOYSA-N 2 2 282.391 3.217 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2C=C(N)C=CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025395 807300833 /nfs/dbraw/zinc/30/08/33/807300833.db2.gz KBDZHNIPTQAAPY-HGKCTWBKSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@@H]1C[C@@H]([NH+]2C=C(N)C=CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025395 807300842 /nfs/dbraw/zinc/30/08/42/807300842.db2.gz KBDZHNIPTQAAPY-HGKCTWBKSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+]2C=C(N)C=CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025395 807300851 /nfs/dbraw/zinc/30/08/51/807300851.db2.gz KBDZHNIPTQAAPY-HGKCTWBKSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+]2C=C(N)C=CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168025395 807300860 /nfs/dbraw/zinc/30/08/60/807300860.db2.gz KBDZHNIPTQAAPY-HGKCTWBKSA-N 2 2 297.446 3.100 20 0 CGADLP C[C@H]1CC([N@@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)C1 ZINC001258171428 807338663 /nfs/dbraw/zinc/33/86/63/807338663.db2.gz YKRBUOUHTUKKTF-TXCZRRACSA-N 2 2 282.447 3.319 20 0 CGADLP C[C@H]1CC([N@H+]2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)C[C@H](C)C1 ZINC001258171428 807338672 /nfs/dbraw/zinc/33/86/72/807338672.db2.gz YKRBUOUHTUKKTF-TXCZRRACSA-N 2 2 282.447 3.319 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258175613 807341400 /nfs/dbraw/zinc/34/14/00/807341400.db2.gz UZFRTDFKYZGJFJ-FOLVSLTJSA-N 2 2 252.446 3.227 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258175613 807341407 /nfs/dbraw/zinc/34/14/07/807341407.db2.gz UZFRTDFKYZGJFJ-FOLVSLTJSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001168192180 807343532 /nfs/dbraw/zinc/34/35/32/807343532.db2.gz NRXLBPIDWQYFGY-UNEWFSDZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001168192180 807343544 /nfs/dbraw/zinc/34/35/44/807343544.db2.gz NRXLBPIDWQYFGY-UNEWFSDZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001168192180 807343549 /nfs/dbraw/zinc/34/35/49/807343549.db2.gz NRXLBPIDWQYFGY-UNEWFSDZSA-N 2 2 292.854 3.297 20 0 CGADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001168192180 807343559 /nfs/dbraw/zinc/34/35/59/807343559.db2.gz NRXLBPIDWQYFGY-UNEWFSDZSA-N 2 2 292.854 3.297 20 0 CGADLP CC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211750 807350623 /nfs/dbraw/zinc/35/06/23/807350623.db2.gz IHTNAMOEHBHLJN-AFGAAMFOSA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211750 807350631 /nfs/dbraw/zinc/35/06/31/807350631.db2.gz IHTNAMOEHBHLJN-AFGAAMFOSA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211750 807350637 /nfs/dbraw/zinc/35/06/37/807350637.db2.gz IHTNAMOEHBHLJN-AFGAAMFOSA-N 2 2 299.462 3.024 20 0 CGADLP CC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001168211750 807350645 /nfs/dbraw/zinc/35/06/45/807350645.db2.gz IHTNAMOEHBHLJN-AFGAAMFOSA-N 2 2 299.462 3.024 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414438 807409276 /nfs/dbraw/zinc/40/92/76/807409276.db2.gz GDHRHHVCVDVWCH-ROUUACIJSA-N 2 2 290.426 3.003 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414438 807409280 /nfs/dbraw/zinc/40/92/80/807409280.db2.gz GDHRHHVCVDVWCH-ROUUACIJSA-N 2 2 290.426 3.003 20 0 CGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168439236 807415253 /nfs/dbraw/zinc/41/52/53/807415253.db2.gz RNMOGXXMZOKPMX-GOSISDBHSA-N 2 2 290.426 3.099 20 0 CGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168439236 807415257 /nfs/dbraw/zinc/41/52/57/807415257.db2.gz RNMOGXXMZOKPMX-GOSISDBHSA-N 2 2 290.426 3.099 20 0 CGADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258432628 807447850 /nfs/dbraw/zinc/44/78/50/807447850.db2.gz DEWYSQMSCLKPBZ-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258432628 807447853 /nfs/dbraw/zinc/44/78/53/807447853.db2.gz DEWYSQMSCLKPBZ-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CC1(C)CC[C@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001258609011 807506029 /nfs/dbraw/zinc/50/60/29/807506029.db2.gz QZGZDDDPQDLPLN-HNNXBMFYSA-N 2 2 273.424 3.219 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169106900 807579030 /nfs/dbraw/zinc/57/90/30/807579030.db2.gz AUZNGKZQOXJOIX-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169106900 807579033 /nfs/dbraw/zinc/57/90/33/807579033.db2.gz AUZNGKZQOXJOIX-XDQVBPFNSA-N 2 2 292.398 3.110 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258742338 807586373 /nfs/dbraw/zinc/58/63/73/807586373.db2.gz WMIQJFMKBPVWFH-DYVFJYSZSA-N 2 2 292.854 3.345 20 0 CGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258742338 807586376 /nfs/dbraw/zinc/58/63/76/807586376.db2.gz WMIQJFMKBPVWFH-DYVFJYSZSA-N 2 2 292.854 3.345 20 0 CGADLP CC1(C)C[C@H]([NH2+]c2ccc(O)cc2)C[C@@](C)(C[NH3+])C1 ZINC001169154870 807596348 /nfs/dbraw/zinc/59/63/48/807596348.db2.gz ZBRCFQZHWNDCLE-XJKSGUPXSA-N 2 2 262.397 3.348 20 0 CGADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3cc(F)ccc32)CC1 ZINC001258769350 807603801 /nfs/dbraw/zinc/60/38/01/807603801.db2.gz NYZFROSITUBJGE-INIZCTEOSA-N 2 2 292.398 3.113 20 0 CGADLP CC[C@@H](C)C[C@@H](CC)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001258796113 807617838 /nfs/dbraw/zinc/61/78/38/807617838.db2.gz XHMCWQJVKGPKPA-QZTJIDSGSA-N 3 2 299.547 3.407 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](C)C2)C1 ZINC001258830201 807645914 /nfs/dbraw/zinc/64/59/14/807645914.db2.gz KTDZCDOWXPRUOJ-FVQBIDKESA-N 2 2 274.408 3.422 20 0 CGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](C)C2)C1 ZINC001258830201 807645917 /nfs/dbraw/zinc/64/59/17/807645917.db2.gz KTDZCDOWXPRUOJ-FVQBIDKESA-N 2 2 274.408 3.422 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1ccc(-n2cccc2)c[nH+]1 ZINC001169716964 807696115 /nfs/dbraw/zinc/69/61/15/807696115.db2.gz YYVIWMBLWHFREE-UHFFFAOYSA-N 2 2 272.396 3.015 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]1 ZINC001261423239 807742725 /nfs/dbraw/zinc/74/27/25/807742725.db2.gz RSOQOVOUIWQKSF-IMSIIYSGSA-N 2 2 270.779 3.270 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001170109346 807760390 /nfs/dbraw/zinc/76/03/90/807760390.db2.gz NXXSPQBMVXBKMJ-ZBFHGGJFSA-N 2 2 273.424 3.076 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001170250280 807805271 /nfs/dbraw/zinc/80/52/71/807805271.db2.gz JHNZXXMEOFURCP-KGLIPLIRSA-N 2 2 280.843 3.345 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1nc(C(C)(C)C)cs1 ZINC001262202444 807836852 /nfs/dbraw/zinc/83/68/52/807836852.db2.gz UNPFBTOVPRURRD-SRVKXCTJSA-N 2 2 293.480 3.361 20 0 CGADLP CC(C)[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170768392 807903968 /nfs/dbraw/zinc/90/39/68/807903968.db2.gz XLKUEZIUQGEZBC-MUJYYYPQSA-N 2 2 264.457 3.226 20 0 CGADLP CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170768392 807903970 /nfs/dbraw/zinc/90/39/70/807903970.db2.gz XLKUEZIUQGEZBC-MUJYYYPQSA-N 2 2 264.457 3.226 20 0 CGADLP C[C@@H]([NH3+])CCNc1[nH+]ccc2cccc(C(F)(F)F)c21 ZINC001170889279 807925878 /nfs/dbraw/zinc/92/58/78/807925878.db2.gz MJYVHMGFXVWXTF-SECBINFHSA-N 2 2 283.297 3.403 20 0 CGADLP Cc1ccc(-c2cc[nH+]c(NCC[C@@H](C)[NH3+])c2)cc1 ZINC001170889672 807925901 /nfs/dbraw/zinc/92/59/01/807925901.db2.gz UAMQNLBHNCZRMZ-CYBMUJFWSA-N 2 2 255.365 3.206 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171092463 807981166 /nfs/dbraw/zinc/98/11/66/807981166.db2.gz YPNFFHGOEXRHGZ-IRXDYDNUSA-N 2 2 292.854 3.271 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171092463 807981170 /nfs/dbraw/zinc/98/11/70/807981170.db2.gz YPNFFHGOEXRHGZ-IRXDYDNUSA-N 2 2 292.854 3.271 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001171666090 808117749 /nfs/dbraw/zinc/11/77/49/808117749.db2.gz SXGJECGGBUQMDW-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001171666090 808117754 /nfs/dbraw/zinc/11/77/54/808117754.db2.gz SXGJECGGBUQMDW-SJLPKXTDSA-N 2 2 274.452 3.390 20 0 CGADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001171854052 808149160 /nfs/dbraw/zinc/14/91/60/808149160.db2.gz YTUYEVLMUIFUPT-IUVQAAGXSA-N 2 2 286.463 3.282 20 0 CGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172349088 808247344 /nfs/dbraw/zinc/24/73/44/808247344.db2.gz LBWDEVUUZOJFQD-KGLIPLIRSA-N 2 2 275.396 3.018 20 0 CGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC001172380093 808274614 /nfs/dbraw/zinc/27/46/14/808274614.db2.gz QNUPZOXSPLZFRU-KBXIAJHMSA-N 2 2 261.413 3.347 20 0 CGADLP CC[C@@H](CC(C)C)[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001172407565 808295632 /nfs/dbraw/zinc/29/56/32/808295632.db2.gz OTFNBWHLTVDFPI-KRWDZBQOSA-N 3 2 285.520 3.017 20 0 CGADLP CC1(C)CC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001172659335 808412426 /nfs/dbraw/zinc/41/24/26/808412426.db2.gz UPIJLPWRYQTEBB-ZDUSSCGKSA-N 2 2 291.439 3.259 20 0 CGADLP Cc1ccc2c(c1)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001172825345 808447180 /nfs/dbraw/zinc/44/71/80/808447180.db2.gz GHFZQRDAKHZKAX-LJQANCHMSA-N 2 2 286.463 3.318 20 0 CGADLP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001172930843 808487393 /nfs/dbraw/zinc/48/73/93/808487393.db2.gz RZOMKMANUXVUHP-HZPDHXFCSA-N 2 2 285.391 3.139 20 0 CGADLP CC[C@H]1CC[C@@H](N(c2cccc[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173285839 808587158 /nfs/dbraw/zinc/58/71/58/808587158.db2.gz ZFORFYQSKUFVLK-GOEBONIOSA-N 2 2 273.424 3.219 20 0 CGADLP CCC[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275107920 808910058 /nfs/dbraw/zinc/91/00/58/808910058.db2.gz ISHAEEHPEFWFQA-UHFFFAOYSA-N 2 2 297.446 3.128 20 0 CGADLP CCC[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275107920 808910066 /nfs/dbraw/zinc/91/00/66/808910066.db2.gz ISHAEEHPEFWFQA-UHFFFAOYSA-N 2 2 297.446 3.128 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001275298309 808926608 /nfs/dbraw/zinc/92/66/08/808926608.db2.gz MOPPPKQVQUBEKW-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001275298309 808926615 /nfs/dbraw/zinc/92/66/15/808926615.db2.gz MOPPPKQVQUBEKW-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001275298309 808926623 /nfs/dbraw/zinc/92/66/23/808926623.db2.gz MOPPPKQVQUBEKW-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001275298309 808926630 /nfs/dbraw/zinc/92/66/30/808926630.db2.gz MOPPPKQVQUBEKW-KRWDZBQOSA-N 2 2 276.399 3.134 20 0 CGADLP COc1cc[nH+]cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001176119014 809626049 /nfs/dbraw/zinc/62/60/49/809626049.db2.gz NPGLACCQMNMXJB-UHFFFAOYSA-N 2 2 284.363 3.219 20 0 CGADLP CCc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001176977314 809772415 /nfs/dbraw/zinc/77/24/15/809772415.db2.gz IXJRIOIAASRWDH-UHFFFAOYSA-N 2 2 283.419 3.362 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001179142876 809906208 /nfs/dbraw/zinc/90/62/08/809906208.db2.gz ONSVPFVWYNREMV-ARFHVFGLSA-N 2 2 264.457 3.441 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001179142876 809906213 /nfs/dbraw/zinc/90/62/13/809906213.db2.gz ONSVPFVWYNREMV-ARFHVFGLSA-N 2 2 264.457 3.441 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)c(C)c1 ZINC001179747328 809941504 /nfs/dbraw/zinc/94/15/04/809941504.db2.gz KMMQXRRNRIOXRO-KRWDZBQOSA-N 2 2 292.467 3.460 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140848 811479642 /nfs/dbraw/zinc/47/96/42/811479642.db2.gz OPGQPBYJZQBFNX-KRWDZBQOSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140848 811479646 /nfs/dbraw/zinc/47/96/46/811479646.db2.gz OPGQPBYJZQBFNX-KRWDZBQOSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140848 811479651 /nfs/dbraw/zinc/47/96/51/811479651.db2.gz OPGQPBYJZQBFNX-KRWDZBQOSA-N 2 2 290.451 3.009 20 0 CGADLP CC[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140848 811479655 /nfs/dbraw/zinc/47/96/55/811479655.db2.gz OPGQPBYJZQBFNX-KRWDZBQOSA-N 2 2 290.451 3.009 20 0 CGADLP Nc1ccc(Nc2cc[nH+]cc2Oc2ccccc2)c[nH+]1 ZINC001201272424 811804633 /nfs/dbraw/zinc/80/46/33/811804633.db2.gz ODOJFKDVUVYBQK-UHFFFAOYSA-N 2 2 278.315 3.017 20 0 CGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510315 811875125 /nfs/dbraw/zinc/87/51/25/811875125.db2.gz ZPFCLAQXBSGILF-KKUMJFAQSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201510315 811875135 /nfs/dbraw/zinc/87/51/35/811875135.db2.gz ZPFCLAQXBSGILF-KKUMJFAQSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201510315 811875143 /nfs/dbraw/zinc/87/51/43/811875143.db2.gz ZPFCLAQXBSGILF-KKUMJFAQSA-N 2 2 293.480 3.085 20 0 CGADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201510315 811875150 /nfs/dbraw/zinc/87/51/50/811875150.db2.gz ZPFCLAQXBSGILF-KKUMJFAQSA-N 2 2 293.480 3.085 20 0 CGADLP CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201747001 811956100 /nfs/dbraw/zinc/95/61/00/811956100.db2.gz RMDIDNAOXSYTAA-QZTJIDSGSA-N 2 2 287.451 3.026 20 0 CGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001203712916 812436914 /nfs/dbraw/zinc/43/69/14/812436914.db2.gz NJMVIXUYOKBOCL-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001203712916 812436918 /nfs/dbraw/zinc/43/69/18/812436918.db2.gz NJMVIXUYOKBOCL-QGZVFWFLSA-N 2 2 282.387 3.352 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001203900712 812486033 /nfs/dbraw/zinc/48/60/33/812486033.db2.gz XAFBEUCIMNRDPE-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001203900712 812486041 /nfs/dbraw/zinc/48/60/41/812486041.db2.gz XAFBEUCIMNRDPE-UHFFFAOYSA-N 2 2 290.451 3.308 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204168222 812562575 /nfs/dbraw/zinc/56/25/75/812562575.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204168222 812562583 /nfs/dbraw/zinc/56/25/83/812562583.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204168222 812562596 /nfs/dbraw/zinc/56/25/96/812562596.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP CC(C)c1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204168222 812562604 /nfs/dbraw/zinc/56/26/04/812562604.db2.gz KLNASFTXXMKPNR-QZTJIDSGSA-N 2 2 272.436 3.336 20 0 CGADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001204168532 812563495 /nfs/dbraw/zinc/56/34/95/812563495.db2.gz RKOMBWZOJCLGNF-UHFFFAOYSA-N 2 2 282.387 3.433 20 0 CGADLP Cn1c2ccccc2c(C[N@H+](C)CC[NH3+])c1-c1ccccc1 ZINC001204699944 812712516 /nfs/dbraw/zinc/71/25/16/812712516.db2.gz VFJWIDMFKCDTDP-UHFFFAOYSA-N 2 2 293.414 3.236 20 0 CGADLP Cn1c2ccccc2c(C[N@@H+](C)CC[NH3+])c1-c1ccccc1 ZINC001204699944 812712520 /nfs/dbraw/zinc/71/25/20/812712520.db2.gz VFJWIDMFKCDTDP-UHFFFAOYSA-N 2 2 293.414 3.236 20 0 CGADLP Cc1c2ccccc2sc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877283 812760846 /nfs/dbraw/zinc/76/08/46/812760846.db2.gz GPBJBGTVAGREHU-LBPRGKRZSA-N 2 2 260.406 3.133 20 0 CGADLP Cc1c2ccccc2sc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877283 812760852 /nfs/dbraw/zinc/76/08/52/812760852.db2.gz GPBJBGTVAGREHU-LBPRGKRZSA-N 2 2 260.406 3.133 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2sccc21 ZINC001204931336 812781246 /nfs/dbraw/zinc/78/12/46/812781246.db2.gz AZMVNLIDTOYISZ-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2sccc21 ZINC001204931336 812781249 /nfs/dbraw/zinc/78/12/49/812781249.db2.gz AZMVNLIDTOYISZ-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001205018799 812828669 /nfs/dbraw/zinc/82/86/69/812828669.db2.gz ZGIQCYQMZWGMBX-HNNXBMFYSA-N 2 2 294.414 3.044 20 0 CGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001205018799 812828678 /nfs/dbraw/zinc/82/86/78/812828678.db2.gz ZGIQCYQMZWGMBX-HNNXBMFYSA-N 2 2 294.414 3.044 20 0 CGADLP CC[N@H+](Cc1cccc(C)c1C)C1CC[NH+](C)CC1 ZINC001205083305 812854248 /nfs/dbraw/zinc/85/42/48/812854248.db2.gz PHUFUTAHVMOODK-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP CC[N@@H+](Cc1cccc(C)c1C)C1CC[NH+](C)CC1 ZINC001205083305 812854257 /nfs/dbraw/zinc/85/42/57/812854257.db2.gz PHUFUTAHVMOODK-UHFFFAOYSA-N 2 2 260.425 3.220 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205263715 812920056 /nfs/dbraw/zinc/92/00/56/812920056.db2.gz BZFDHEQYTARVOC-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205263715 812920063 /nfs/dbraw/zinc/92/00/63/812920063.db2.gz BZFDHEQYTARVOC-CQSZACIVSA-N 2 2 270.779 3.182 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205316465 812949423 /nfs/dbraw/zinc/94/94/23/812949423.db2.gz JEZBCJAWBUWHNH-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205316465 812949426 /nfs/dbraw/zinc/94/94/26/812949426.db2.gz JEZBCJAWBUWHNH-ZWNOBZJWSA-N 2 2 284.806 3.204 20 0 CGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@@H](C)C[NH+](C)C ZINC001205727698 813062620 /nfs/dbraw/zinc/06/26/20/813062620.db2.gz DNCJYUWLPBTHQY-GJZGRUSLSA-N 2 2 274.452 3.036 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815554 813092517 /nfs/dbraw/zinc/09/25/17/813092517.db2.gz HGVIHKZGCTYBFU-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815554 813092523 /nfs/dbraw/zinc/09/25/23/813092523.db2.gz HGVIHKZGCTYBFU-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP Cc1ccc2nc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205817734 813093716 /nfs/dbraw/zinc/09/37/16/813093716.db2.gz QQFCYCCNPFQRFD-RHSMWYFYSA-N 2 2 283.419 3.102 20 0 CGADLP Cc1ccc2nc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])ccc2c1 ZINC001205817734 813093729 /nfs/dbraw/zinc/09/37/29/813093729.db2.gz QQFCYCCNPFQRFD-RHSMWYFYSA-N 2 2 283.419 3.102 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840550 813104139 /nfs/dbraw/zinc/10/41/39/813104139.db2.gz HUUFOKIVFJOSQW-IUODEOHRSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001205840550 813104143 /nfs/dbraw/zinc/10/41/43/813104143.db2.gz HUUFOKIVFJOSQW-IUODEOHRSA-N 2 2 274.433 3.461 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC001205903030 813124323 /nfs/dbraw/zinc/12/43/23/813124323.db2.gz NDNBMCMFNJJWKQ-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC001205903030 813124329 /nfs/dbraw/zinc/12/43/29/813124329.db2.gz NDNBMCMFNJJWKQ-QWRGUYRKSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001205903483 813126706 /nfs/dbraw/zinc/12/67/06/813126706.db2.gz PORAKBCFLQKSMH-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Cl ZINC001205903483 813126708 /nfs/dbraw/zinc/12/67/08/813126708.db2.gz PORAKBCFLQKSMH-GHMZBOCLSA-N 2 2 270.779 3.038 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931138 813139338 /nfs/dbraw/zinc/13/93/38/813139338.db2.gz HLPYVBNPKGEHHY-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1CCCC[C@H]([NH3+])C1 ZINC001205931138 813139339 /nfs/dbraw/zinc/13/93/39/813139339.db2.gz HLPYVBNPKGEHHY-HNNXBMFYSA-N 2 2 284.403 3.162 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206210520 813241437 /nfs/dbraw/zinc/24/14/37/813241437.db2.gz KOBSJIVVONGQBN-QWHCGFSZSA-N 2 2 288.769 3.049 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Cl ZINC001206210520 813241443 /nfs/dbraw/zinc/24/14/43/813241443.db2.gz KOBSJIVVONGQBN-QWHCGFSZSA-N 2 2 288.769 3.049 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001206335963 813294619 /nfs/dbraw/zinc/29/46/19/813294619.db2.gz IOFRLUVVSQEHIM-OAHLLOKOSA-N 2 2 284.806 3.035 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC001206335963 813294623 /nfs/dbraw/zinc/29/46/23/813294623.db2.gz IOFRLUVVSQEHIM-OAHLLOKOSA-N 2 2 284.806 3.035 20 0 CGADLP CSc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343562 813296623 /nfs/dbraw/zinc/29/66/23/813296623.db2.gz GNGICBAHKCXJEQ-OAHLLOKOSA-N 2 2 282.428 3.061 20 0 CGADLP CSc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206343562 813296628 /nfs/dbraw/zinc/29/66/28/813296628.db2.gz GNGICBAHKCXJEQ-OAHLLOKOSA-N 2 2 282.428 3.061 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206548102 813346104 /nfs/dbraw/zinc/34/61/04/813346104.db2.gz GJGSUMPMHOYUTL-SFHVURJKSA-N 2 2 299.418 3.293 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001206548102 813346109 /nfs/dbraw/zinc/34/61/09/813346109.db2.gz GJGSUMPMHOYUTL-SFHVURJKSA-N 2 2 299.418 3.293 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206549818 813349189 /nfs/dbraw/zinc/34/91/89/813349189.db2.gz QCRHAKDZWFUMSN-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206549818 813349196 /nfs/dbraw/zinc/34/91/96/813349196.db2.gz QCRHAKDZWFUMSN-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001206555395 813352064 /nfs/dbraw/zinc/35/20/64/813352064.db2.gz KPDKHWXJWXQMDW-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001206555395 813352070 /nfs/dbraw/zinc/35/20/70/813352070.db2.gz KPDKHWXJWXQMDW-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001206660535 813391764 /nfs/dbraw/zinc/39/17/64/813391764.db2.gz DUQNDFNXDCIJTK-HZMVEIRTSA-N 2 2 264.457 3.133 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)n1C ZINC001206793995 813437626 /nfs/dbraw/zinc/43/76/26/813437626.db2.gz SWEJXGBJWRMVLC-QGZVFWFLSA-N 2 2 299.418 3.080 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C)C2)n1C ZINC001206793995 813437631 /nfs/dbraw/zinc/43/76/31/813437631.db2.gz SWEJXGBJWRMVLC-QGZVFWFLSA-N 2 2 299.418 3.080 20 0 CGADLP CC(C)[N@H+](CCc1ccccc1F)C1CC[NH+](C)CC1 ZINC001207503458 813580109 /nfs/dbraw/zinc/58/01/09/813580109.db2.gz WWRORJDLZVZZFG-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP CC(C)[N@@H+](CCc1ccccc1F)C1CC[NH+](C)CC1 ZINC001207503458 813580113 /nfs/dbraw/zinc/58/01/13/813580113.db2.gz WWRORJDLZVZZFG-UHFFFAOYSA-N 2 2 278.415 3.173 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609351 813612900 /nfs/dbraw/zinc/61/29/00/813612900.db2.gz WCVOEFDGKDPCOM-SJORKVTESA-N 2 2 264.457 3.373 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609351 813612903 /nfs/dbraw/zinc/61/29/03/813612903.db2.gz WCVOEFDGKDPCOM-SJORKVTESA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609351 813612909 /nfs/dbraw/zinc/61/29/09/813612909.db2.gz WCVOEFDGKDPCOM-SJORKVTESA-N 2 2 264.457 3.373 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3CCCCC3)C[C@@H]21 ZINC001207609351 813612913 /nfs/dbraw/zinc/61/29/13/813612913.db2.gz WCVOEFDGKDPCOM-SJORKVTESA-N 2 2 264.457 3.373 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)no1 ZINC001208181984 813733093 /nfs/dbraw/zinc/73/30/93/813733093.db2.gz IIYFORIBTTTYJE-MRXNPFEDSA-N 2 2 291.439 3.242 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)no1 ZINC001208181984 813733099 /nfs/dbraw/zinc/73/30/99/813733099.db2.gz IIYFORIBTTTYJE-MRXNPFEDSA-N 2 2 291.439 3.242 20 0 CGADLP C[NH+](C)CC1(C[N@@H+]2CCc3ccc(F)cc3C2)CCCC1 ZINC001208186675 813734793 /nfs/dbraw/zinc/73/47/93/813734793.db2.gz YECBQIUCWQCQDZ-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP C[NH+](C)CC1(C[N@H+]2CCc3ccc(F)cc3C2)CCCC1 ZINC001208186675 813734798 /nfs/dbraw/zinc/73/47/98/813734798.db2.gz YECBQIUCWQCQDZ-UHFFFAOYSA-N 2 2 290.426 3.306 20 0 CGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618562 813778142 /nfs/dbraw/zinc/77/81/42/813778142.db2.gz ZALFNFUXAJPNQE-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618562 813778150 /nfs/dbraw/zinc/77/81/50/813778150.db2.gz ZALFNFUXAJPNQE-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618562 813778153 /nfs/dbraw/zinc/77/81/53/813778153.db2.gz ZALFNFUXAJPNQE-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001208618562 813778158 /nfs/dbraw/zinc/77/81/58/813778158.db2.gz ZALFNFUXAJPNQE-CYBMUJFWSA-N 2 2 278.827 3.040 20 0 CGADLP CC(C)[N@H+](CCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208695960 813799357 /nfs/dbraw/zinc/79/93/57/813799357.db2.gz HLEAEFRTAMGPNX-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC(C)[N@@H+](CCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208695960 813799365 /nfs/dbraw/zinc/79/93/65/813799365.db2.gz HLEAEFRTAMGPNX-UHFFFAOYSA-N 2 2 252.446 3.371 20 0 CGADLP CC/C=C\CC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208728084 813818498 /nfs/dbraw/zinc/81/84/98/813818498.db2.gz XXLLMRRFNOOHDF-IFEVLTCRSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208728084 813818509 /nfs/dbraw/zinc/81/85/09/813818509.db2.gz XXLLMRRFNOOHDF-IFEVLTCRSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208728084 813818519 /nfs/dbraw/zinc/81/85/19/813818519.db2.gz XXLLMRRFNOOHDF-IFEVLTCRSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001208728084 813818529 /nfs/dbraw/zinc/81/85/29/813818529.db2.gz XXLLMRRFNOOHDF-IFEVLTCRSA-N 2 2 299.462 3.192 20 0 CGADLP CC(C)[N@H+](CC1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC001209322435 813998344 /nfs/dbraw/zinc/99/83/44/813998344.db2.gz BCOFLHHLUWRCCZ-UHFFFAOYSA-N 2 2 286.463 3.206 20 0 CGADLP CC(C)[N@@H+](CC1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC001209322435 813998347 /nfs/dbraw/zinc/99/83/47/813998347.db2.gz BCOFLHHLUWRCCZ-UHFFFAOYSA-N 2 2 286.463 3.206 20 0 CGADLP C[NH+](C)C1CC[NH+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209652879 814106406 /nfs/dbraw/zinc/10/64/06/814106406.db2.gz DFOAJMIBQHXJGU-UHFFFAOYSA-N 2 2 291.826 3.347 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)s1 ZINC001210474721 814478684 /nfs/dbraw/zinc/47/86/84/814478684.db2.gz IJXMPYJWRRHCID-CYBMUJFWSA-N 2 2 266.454 3.275 20 0 CGADLP CCCCc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)s1 ZINC001210474721 814478689 /nfs/dbraw/zinc/47/86/89/814478689.db2.gz IJXMPYJWRRHCID-CYBMUJFWSA-N 2 2 266.454 3.275 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2ccc(C3CCCCC3)cc2)C1 ZINC001210561242 814526420 /nfs/dbraw/zinc/52/64/20/814526420.db2.gz JMGAOTBPOVRBDA-UHFFFAOYSA-N 2 2 272.436 3.386 20 0 CGADLP c1cn2c(cccc2NC2=CC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC001210703231 814588342 /nfs/dbraw/zinc/58/83/42/814588342.db2.gz ABEIEBKQSQRHNQ-OAHLLOKOSA-N 2 2 282.391 3.278 20 0 CGADLP Cc1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC001210706045 814589472 /nfs/dbraw/zinc/58/94/72/814589472.db2.gz ZBDNSZSTYDFSIQ-HNNXBMFYSA-N 2 2 272.396 3.038 20 0 CGADLP COc1cc(Nc2ccc(CC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC001210780300 814625228 /nfs/dbraw/zinc/62/52/28/814625228.db2.gz HIGFNVYQMDSXOH-UHFFFAOYSA-N 2 2 285.391 3.246 20 0 CGADLP C[NH2+]Cc1cccc(Nc2cc(C)[nH+]c(OC)c2)c1F ZINC001216222238 815742775 /nfs/dbraw/zinc/74/27/75/815742775.db2.gz YHWLGDLLDNJGQZ-UHFFFAOYSA-N 2 2 275.327 3.001 20 0 CGADLP Fc1cc(F)c(F)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316498 816407559 /nfs/dbraw/zinc/40/75/59/816407559.db2.gz WWWWNXHJBBUTTO-INIZCTEOSA-N 2 2 298.352 3.212 20 0 CGADLP Fc1cc(F)c(F)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316498 816407561 /nfs/dbraw/zinc/40/75/61/816407561.db2.gz WWWWNXHJBBUTTO-INIZCTEOSA-N 2 2 298.352 3.212 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)s1 ZINC001222345516 816413553 /nfs/dbraw/zinc/41/35/53/816413553.db2.gz KXINXWFHYAXGKR-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)c(C)s1 ZINC001222345516 816413558 /nfs/dbraw/zinc/41/35/58/816413558.db2.gz KXINXWFHYAXGKR-HNNXBMFYSA-N 2 2 264.438 3.083 20 0 CGADLP c1cc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc2c1CCC2 ZINC001222385438 816426514 /nfs/dbraw/zinc/42/65/14/816426514.db2.gz NEPWUKOGOVQARW-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP c1cc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc2c1CCC2 ZINC001222385438 816426519 /nfs/dbraw/zinc/42/65/19/816426519.db2.gz NEPWUKOGOVQARW-LJQANCHMSA-N 2 2 284.447 3.283 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222427093 816442489 /nfs/dbraw/zinc/44/24/89/816442489.db2.gz LSUIIYNMWCZQMQ-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222427093 816442493 /nfs/dbraw/zinc/44/24/93/816442493.db2.gz LSUIIYNMWCZQMQ-GOSISDBHSA-N 2 2 283.419 3.194 20 0 CGADLP c1ccc2c(c1)C[N@@H+](CC1CCCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001222552920 816466814 /nfs/dbraw/zinc/46/68/14/816466814.db2.gz LMJMLMWDWVEAAP-ROUUACIJSA-N 2 2 270.420 3.138 20 0 CGADLP c1ccc2c(c1)C[N@H+](CC1CCCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001222552920 816466819 /nfs/dbraw/zinc/46/68/19/816466819.db2.gz LMJMLMWDWVEAAP-ROUUACIJSA-N 2 2 270.420 3.138 20 0 CGADLP C[NH2+]Cc1cccc(-c2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001242996915 823204419 /nfs/dbraw/zinc/20/44/19/823204419.db2.gz RVGREOAYONDQQU-UHFFFAOYSA-N 2 2 281.403 3.458 20 0 CGADLP Fc1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1C1CC1 ZINC001228556761 817937948 /nfs/dbraw/zinc/93/79/48/817937948.db2.gz QBQHQCYRJANKJO-UHFFFAOYSA-N 2 2 288.410 3.421 20 0 CGADLP Cc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc(C)c1F ZINC001228557443 817938392 /nfs/dbraw/zinc/93/83/92/817938392.db2.gz ZMYJAAWQFHDFMM-UHFFFAOYSA-N 2 2 276.399 3.161 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1coc(-c2ccccc2)n1 ZINC001231631608 818142832 /nfs/dbraw/zinc/14/28/32/818142832.db2.gz ANVQLKFVQRLIJQ-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1coc(-c2ccccc2)n1 ZINC001231631608 818142834 /nfs/dbraw/zinc/14/28/34/818142834.db2.gz ANVQLKFVQRLIJQ-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC(C)[N@H+](Cc1ccnc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001231892485 818203996 /nfs/dbraw/zinc/20/39/96/818203996.db2.gz AYUFTUBKUCQAAP-UHFFFAOYSA-N 2 2 297.393 3.324 20 0 CGADLP CC(C)[N@@H+](Cc1ccnc(C(F)F)c1)C1CC[NH+](C)CC1 ZINC001231892485 818204004 /nfs/dbraw/zinc/20/40/04/818204004.db2.gz AYUFTUBKUCQAAP-UHFFFAOYSA-N 2 2 297.393 3.324 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C)n1 ZINC001232004877 818230094 /nfs/dbraw/zinc/23/00/94/818230094.db2.gz TXQXDFRHQVJTPS-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(C)n1 ZINC001232004877 818230098 /nfs/dbraw/zinc/23/00/98/818230098.db2.gz TXQXDFRHQVJTPS-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP Fc1ccc2c(c1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015247 818232997 /nfs/dbraw/zinc/23/29/97/818232997.db2.gz DKVUVUDAWDKGSZ-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP Fc1ccc2c(c1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015247 818232999 /nfs/dbraw/zinc/23/29/99/818232999.db2.gz DKVUVUDAWDKGSZ-UHFFFAOYSA-N 2 2 281.334 3.260 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640220 818408025 /nfs/dbraw/zinc/40/80/25/818408025.db2.gz JYRCERJCNRQGHP-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640220 818408030 /nfs/dbraw/zinc/40/80/30/818408030.db2.gz JYRCERJCNRQGHP-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640220 818408032 /nfs/dbraw/zinc/40/80/32/818408032.db2.gz JYRCERJCNRQGHP-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCCC4)C[C@@H]21 ZINC001232640220 818408037 /nfs/dbraw/zinc/40/80/37/818408037.db2.gz JYRCERJCNRQGHP-HKUYNNGSSA-N 2 2 284.447 3.091 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912870 818473267 /nfs/dbraw/zinc/47/32/67/818473267.db2.gz YFMSLCZPJLNQSL-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912870 818473272 /nfs/dbraw/zinc/47/32/72/818473272.db2.gz YFMSLCZPJLNQSL-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912870 818473276 /nfs/dbraw/zinc/47/32/76/818473276.db2.gz YFMSLCZPJLNQSL-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cccc3)C[C@@H]21 ZINC001232912870 818473278 /nfs/dbraw/zinc/47/32/78/818473278.db2.gz YFMSLCZPJLNQSL-MJGOQNOKSA-N 2 2 295.430 3.003 20 0 CGADLP FC1(F)CC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233361315 818597208 /nfs/dbraw/zinc/59/72/08/818597208.db2.gz KBYRUERRJSYHEC-UHFFFAOYSA-N 2 2 291.345 3.346 20 0 CGADLP CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032452 818761836 /nfs/dbraw/zinc/76/18/36/818761836.db2.gz IHIYLSJWYXJYGU-UHFFFAOYSA-N 2 2 273.380 3.113 20 0 CGADLP CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032452 818761844 /nfs/dbraw/zinc/76/18/44/818761844.db2.gz IHIYLSJWYXJYGU-UHFFFAOYSA-N 2 2 273.380 3.113 20 0 CGADLP CCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032959 818762040 /nfs/dbraw/zinc/76/20/40/818762040.db2.gz OHUSKWWHFBKOEQ-UHFFFAOYSA-N 2 2 273.380 3.113 20 0 CGADLP CCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234032959 818762046 /nfs/dbraw/zinc/76/20/46/818762046.db2.gz OHUSKWWHFBKOEQ-UHFFFAOYSA-N 2 2 273.380 3.113 20 0 CGADLP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1-n1cc[nH+]c1 ZINC001234034228 818763612 /nfs/dbraw/zinc/76/36/12/818763612.db2.gz ZVBQZFJRUJELHH-HOTGVXAUSA-N 2 2 297.402 3.113 20 0 CGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042964 818990363 /nfs/dbraw/zinc/99/03/63/818990363.db2.gz DJESSMJNRPEMRF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042964 818990366 /nfs/dbraw/zinc/99/03/66/818990366.db2.gz DJESSMJNRPEMRF-SFHVURJKSA-N 2 2 288.435 3.112 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1Cl ZINC001235063417 818993451 /nfs/dbraw/zinc/99/34/51/818993451.db2.gz FCTZZXSFSPHYDB-HNNXBMFYSA-N 2 2 299.245 3.364 20 0 CGADLP Clc1ccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]3)C2)cc1Cl ZINC001235063417 818993457 /nfs/dbraw/zinc/99/34/57/818993457.db2.gz FCTZZXSFSPHYDB-HNNXBMFYSA-N 2 2 299.245 3.364 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111602 819007307 /nfs/dbraw/zinc/00/73/07/819007307.db2.gz RROJAVUZDPYFPZ-HNNXBMFYSA-N 2 2 298.352 3.342 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235111602 819007312 /nfs/dbraw/zinc/00/73/12/819007312.db2.gz RROJAVUZDPYFPZ-HNNXBMFYSA-N 2 2 298.352 3.342 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235114458 819009192 /nfs/dbraw/zinc/00/91/92/819009192.db2.gz LUSHDURUVNNINM-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235114458 819009198 /nfs/dbraw/zinc/00/91/98/819009198.db2.gz LUSHDURUVNNINM-SFHVURJKSA-N 2 2 270.420 3.282 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)sc1C ZINC001235118078 819010631 /nfs/dbraw/zinc/01/06/31/819010631.db2.gz KXMUWSHNTUPOTM-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)sc1C ZINC001235118078 819010632 /nfs/dbraw/zinc/01/06/32/819010632.db2.gz KXMUWSHNTUPOTM-OAHLLOKOSA-N 2 2 264.438 3.083 20 0 CGADLP FC1(F)CCC(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235124335 819011625 /nfs/dbraw/zinc/01/16/25/819011625.db2.gz MSUAUXPAQNDLGO-AWEZNQCLSA-N 2 2 272.383 3.030 20 0 CGADLP FC1(F)CCC(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001235124335 819011629 /nfs/dbraw/zinc/01/16/29/819011629.db2.gz MSUAUXPAQNDLGO-AWEZNQCLSA-N 2 2 272.383 3.030 20 0 CGADLP c1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256143 819052140 /nfs/dbraw/zinc/05/21/40/819052140.db2.gz FQRCPJZQQIRTGG-RTBURBONSA-N 2 2 278.399 3.147 20 0 CGADLP c1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@H]43)c2)cc1 ZINC001235256143 819052145 /nfs/dbraw/zinc/05/21/45/819052145.db2.gz FQRCPJZQQIRTGG-RTBURBONSA-N 2 2 278.399 3.147 20 0 CGADLP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3Cl)C[C@@H]12 ZINC001235286196 819060758 /nfs/dbraw/zinc/06/07/58/819060758.db2.gz YAEIKTNZHZAGBL-ALXJQNPVSA-N 2 2 298.817 3.396 20 0 CGADLP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3Cl)C[C@@H]12 ZINC001235286196 819060762 /nfs/dbraw/zinc/06/07/62/819060762.db2.gz YAEIKTNZHZAGBL-ALXJQNPVSA-N 2 2 298.817 3.396 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(Cl)c3)C[C@@H]2C1 ZINC001235541583 819119114 /nfs/dbraw/zinc/11/91/14/819119114.db2.gz VVAVFYQJZHICBH-GJZGRUSLSA-N 2 2 278.827 3.032 20 0 CGADLP COc1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1C(C)C ZINC001235711161 819149113 /nfs/dbraw/zinc/14/91/13/819149113.db2.gz KWGHWEGSCKLJMB-UHFFFAOYSA-N 2 2 288.435 3.004 20 0 CGADLP COc1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1C(C)C ZINC001235711161 819149121 /nfs/dbraw/zinc/14/91/21/819149121.db2.gz KWGHWEGSCKLJMB-UHFFFAOYSA-N 2 2 288.435 3.004 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842618 819184699 /nfs/dbraw/zinc/18/46/99/819184699.db2.gz PVKCTYFAZMGHOO-ZDUSSCGKSA-N 2 2 296.842 3.169 20 0 CGADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842618 819184703 /nfs/dbraw/zinc/18/47/03/819184703.db2.gz PVKCTYFAZMGHOO-ZDUSSCGKSA-N 2 2 296.842 3.169 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891251 819200415 /nfs/dbraw/zinc/20/04/15/819200415.db2.gz HKXHANZSNWJJON-HZPDHXFCSA-N 2 2 290.451 3.402 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235891251 819200420 /nfs/dbraw/zinc/20/04/20/819200420.db2.gz HKXHANZSNWJJON-HZPDHXFCSA-N 2 2 290.451 3.402 20 0 CGADLP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891991 819200454 /nfs/dbraw/zinc/20/04/54/819200454.db2.gz JFOLBSXVCRLQMD-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2ccccc2c1C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235891991 819200458 /nfs/dbraw/zinc/20/04/58/819200458.db2.gz JFOLBSXVCRLQMD-ZFWWWQNUSA-N 2 2 284.403 3.160 20 0 CGADLP C[C@H]([NH3+])C[NH+]1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001235897189 819207095 /nfs/dbraw/zinc/20/70/95/819207095.db2.gz SMNCLGZUVOSEKY-NSHDSACASA-N 2 2 284.806 3.081 20 0 CGADLP COc1ccc2sc(C[N@@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2c1 ZINC001235901751 819211647 /nfs/dbraw/zinc/21/16/47/819211647.db2.gz DWNQGGUANCCBPK-DGCLKSJQSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3C[C@H]([NH3+])CC[C@H]3C)cc2c1 ZINC001235901751 819211648 /nfs/dbraw/zinc/21/16/48/819211648.db2.gz DWNQGGUANCCBPK-DGCLKSJQSA-N 2 2 290.432 3.222 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908530 819217362 /nfs/dbraw/zinc/21/73/62/819217362.db2.gz YCSVXHAPFLDEMY-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001235908530 819217366 /nfs/dbraw/zinc/21/73/66/819217366.db2.gz YCSVXHAPFLDEMY-XJKSGUPXSA-N 2 2 260.425 3.296 20 0 CGADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C)c1Cl ZINC001235948003 819237606 /nfs/dbraw/zinc/23/76/06/819237606.db2.gz NDZGEDHPURCLFX-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C)c1Cl ZINC001235948003 819237609 /nfs/dbraw/zinc/23/76/09/819237609.db2.gz NDZGEDHPURCLFX-UHFFFAOYSA-N 2 2 254.805 3.126 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235989928 819263006 /nfs/dbraw/zinc/26/30/06/819263006.db2.gz FARNCXDSJAIPMY-YJBOKZPZSA-N 2 2 288.435 3.014 20 0 CGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235989928 819263011 /nfs/dbraw/zinc/26/30/11/819263011.db2.gz FARNCXDSJAIPMY-YJBOKZPZSA-N 2 2 288.435 3.014 20 0 CGADLP CC[N@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236005887 819271082 /nfs/dbraw/zinc/27/10/82/819271082.db2.gz GEJASBUXDWQAAS-CYBMUJFWSA-N 2 2 268.351 3.198 20 0 CGADLP CC[N@@H+](Cc1ccccc1C(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236005887 819271088 /nfs/dbraw/zinc/27/10/88/819271088.db2.gz GEJASBUXDWQAAS-CYBMUJFWSA-N 2 2 268.351 3.198 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cc3ccccc3s2)C1 ZINC001236045896 819283503 /nfs/dbraw/zinc/28/35/03/819283503.db2.gz DTLAGVWVGSPXCL-AAEUAGOBSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001236045896 819283508 /nfs/dbraw/zinc/28/35/08/819283508.db2.gz DTLAGVWVGSPXCL-AAEUAGOBSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@H]1C[N@H+](Cc2cccc3[nH]cc(Cl)c32)CCC[NH2+]1 ZINC001236095806 819314498 /nfs/dbraw/zinc/31/44/98/819314498.db2.gz ZCIVSFROYNLVRB-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CCC[NH2+]1 ZINC001236095806 819314503 /nfs/dbraw/zinc/31/45/03/819314503.db2.gz ZCIVSFROYNLVRB-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP Cc1ccc2cc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2n1 ZINC001236206931 819368994 /nfs/dbraw/zinc/36/89/94/819368994.db2.gz LUAIMFAJMMNVQL-GOSISDBHSA-N 2 2 283.419 3.117 20 0 CGADLP Cc1ccc2cc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)ccc2n1 ZINC001236206931 819368997 /nfs/dbraw/zinc/36/89/97/819368997.db2.gz LUAIMFAJMMNVQL-GOSISDBHSA-N 2 2 283.419 3.117 20 0 CGADLP C[N@H+](Cc1c[nH]c2cccc(Cl)c12)[C@]1(C)CCC[NH2+]C1 ZINC001236207623 819370674 /nfs/dbraw/zinc/37/06/74/819370674.db2.gz OWTDOOBWRLJBCE-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)[C@]1(C)CCC[NH2+]C1 ZINC001236207623 819370682 /nfs/dbraw/zinc/37/06/82/819370682.db2.gz OWTDOOBWRLJBCE-MRXNPFEDSA-N 2 2 291.826 3.395 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236210388 819372119 /nfs/dbraw/zinc/37/21/19/819372119.db2.gz VDUMTYOCAUXGAW-GOSISDBHSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236210388 819372128 /nfs/dbraw/zinc/37/21/28/819372128.db2.gz VDUMTYOCAUXGAW-GOSISDBHSA-N 2 2 290.451 3.356 20 0 CGADLP Cc1ccc2nc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236211459 819373811 /nfs/dbraw/zinc/37/38/11/819373811.db2.gz IHMCSLFNZIWELD-AEFFLSMTSA-N 2 2 283.419 3.245 20 0 CGADLP Cc1ccc2nc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])ccc2c1 ZINC001236211459 819373818 /nfs/dbraw/zinc/37/38/18/819373818.db2.gz IHMCSLFNZIWELD-AEFFLSMTSA-N 2 2 283.419 3.245 20 0 CGADLP Clc1cccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236216055 819381030 /nfs/dbraw/zinc/38/10/30/819381030.db2.gz HLVJMQFDSYQYHL-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1cccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236216055 819381039 /nfs/dbraw/zinc/38/10/39/819381039.db2.gz HLVJMQFDSYQYHL-KRWDZBQOSA-N 2 2 292.854 3.489 20 0 CGADLP COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236217793 819384404 /nfs/dbraw/zinc/38/44/04/819384404.db2.gz QOEOZHLWOMOIBT-KGLIPLIRSA-N 2 2 282.815 3.050 20 0 CGADLP COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC001236217793 819384409 /nfs/dbraw/zinc/38/44/09/819384409.db2.gz QOEOZHLWOMOIBT-KGLIPLIRSA-N 2 2 282.815 3.050 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1OC(C)C ZINC001236218850 819385649 /nfs/dbraw/zinc/38/56/49/819385649.db2.gz UIFPADOQXFLPCU-DLBZAZTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1OC(C)C ZINC001236218850 819385653 /nfs/dbraw/zinc/38/56/53/819385653.db2.gz UIFPADOQXFLPCU-DLBZAZTESA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219430 819387030 /nfs/dbraw/zinc/38/70/30/819387030.db2.gz WDDDHURVCOPHMN-IAGOWNOFSA-N 2 2 290.451 3.484 20 0 CGADLP Cc1ccc(OC(C)C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236219430 819387037 /nfs/dbraw/zinc/38/70/37/819387037.db2.gz WDDDHURVCOPHMN-IAGOWNOFSA-N 2 2 290.451 3.484 20 0 CGADLP CCc1cc(C[NH+]2CCC[NH2+]CCC2)ccc1Cl ZINC001236239415 819400027 /nfs/dbraw/zinc/40/00/27/819400027.db2.gz FKDLEWLWZJKMDI-UHFFFAOYSA-N 2 2 266.816 3.088 20 0 CGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC001236242973 819400928 /nfs/dbraw/zinc/40/09/28/819400928.db2.gz QNOBLWSJAALXBU-MRXNPFEDSA-N 2 2 282.387 3.402 20 0 CGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2)cc1 ZINC001236242973 819400935 /nfs/dbraw/zinc/40/09/35/819400935.db2.gz QNOBLWSJAALXBU-MRXNPFEDSA-N 2 2 282.387 3.402 20 0 CGADLP CCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388510 819446572 /nfs/dbraw/zinc/44/65/72/819446572.db2.gz LQVWFORYLXOYJC-INIZCTEOSA-N 2 2 264.388 3.180 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388550 819446562 /nfs/dbraw/zinc/44/65/62/819446562.db2.gz LYJOTJUHPWQMNH-UNEWFSDZSA-N 2 2 276.399 3.036 20 0 CGADLP C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388550 819446564 /nfs/dbraw/zinc/44/65/64/819446564.db2.gz LYJOTJUHPWQMNH-UNEWFSDZSA-N 2 2 276.399 3.036 20 0 CGADLP CCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388510 819446576 /nfs/dbraw/zinc/44/65/76/819446576.db2.gz LQVWFORYLXOYJC-INIZCTEOSA-N 2 2 264.388 3.180 20 0 CGADLP CC[N@@H+](Cc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409777 819457223 /nfs/dbraw/zinc/45/72/23/819457223.db2.gz WFWFSCHQGSPOAM-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP CC[N@H+](Cc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236409777 819457228 /nfs/dbraw/zinc/45/72/28/819457228.db2.gz WFWFSCHQGSPOAM-LLVKDONJSA-N 2 2 287.234 3.425 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001236419152 819466210 /nfs/dbraw/zinc/46/62/10/819466210.db2.gz KYTJXDTUOKOAEM-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236419152 819466208 /nfs/dbraw/zinc/46/62/08/819466208.db2.gz KYTJXDTUOKOAEM-FZMZJTMJSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236419154 819466336 /nfs/dbraw/zinc/46/63/36/819466336.db2.gz KYTJXDTUOKOAEM-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2sccc21 ZINC001236419154 819466337 /nfs/dbraw/zinc/46/63/37/819466337.db2.gz KYTJXDTUOKOAEM-SMDDNHRTSA-N 2 2 260.406 3.213 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1cccc2c(F)cccc12 ZINC001236422033 819468940 /nfs/dbraw/zinc/46/89/40/819468940.db2.gz XTELCBATRLXJAL-YVEFUNNKSA-N 2 2 272.367 3.291 20 0 CGADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1cccc2c(F)cccc12 ZINC001236422033 819468943 /nfs/dbraw/zinc/46/89/43/819468943.db2.gz XTELCBATRLXJAL-YVEFUNNKSA-N 2 2 272.367 3.291 20 0 CGADLP Cc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236467984 819488427 /nfs/dbraw/zinc/48/84/27/819488427.db2.gz BYMNFVPQLMGOSY-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001236467984 819488431 /nfs/dbraw/zinc/48/84/31/819488431.db2.gz BYMNFVPQLMGOSY-OAHLLOKOSA-N 2 2 264.388 3.097 20 0 CGADLP COc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1C(C)C ZINC001236526829 819518429 /nfs/dbraw/zinc/51/84/29/819518429.db2.gz DOOGUZPLWFARGH-INIZCTEOSA-N 2 2 290.451 3.391 20 0 CGADLP COc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1C(C)C ZINC001236526829 819518432 /nfs/dbraw/zinc/51/84/32/819518432.db2.gz DOOGUZPLWFARGH-INIZCTEOSA-N 2 2 290.451 3.391 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC001236859567 819625130 /nfs/dbraw/zinc/62/51/30/819625130.db2.gz VKEBKVHZMYEBII-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC001236859567 819625132 /nfs/dbraw/zinc/62/51/32/819625132.db2.gz VKEBKVHZMYEBII-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC001236859567 819625133 /nfs/dbraw/zinc/62/51/33/819625133.db2.gz VKEBKVHZMYEBII-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP Cc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC001236859567 819625135 /nfs/dbraw/zinc/62/51/35/819625135.db2.gz VKEBKVHZMYEBII-MRXNPFEDSA-N 2 2 278.827 3.176 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236899515 819634375 /nfs/dbraw/zinc/63/43/75/819634375.db2.gz KLZITTSUOLBAGC-ZDUSSCGKSA-N 2 2 266.388 3.037 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001236899515 819634378 /nfs/dbraw/zinc/63/43/78/819634378.db2.gz KLZITTSUOLBAGC-ZDUSSCGKSA-N 2 2 266.388 3.037 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001237059813 819656482 /nfs/dbraw/zinc/65/64/82/819656482.db2.gz VVJCAUROGHLLSG-GWCFXTLKSA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001237059813 819656488 /nfs/dbraw/zinc/65/64/88/819656488.db2.gz VVJCAUROGHLLSG-GWCFXTLKSA-N 2 2 285.229 3.179 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2cc(O)cc3ccccc32)CC1 ZINC001237073328 819660593 /nfs/dbraw/zinc/66/05/93/819660593.db2.gz ZXTDSSSFJYCQDC-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2cc(O)cc3ccccc32)CC1 ZINC001237073328 819660598 /nfs/dbraw/zinc/66/05/98/819660598.db2.gz ZXTDSSSFJYCQDC-UHFFFAOYSA-N 2 2 298.430 3.462 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001237079742 819662044 /nfs/dbraw/zinc/66/20/44/819662044.db2.gz ALZBUOCEVHMYIV-QGZVFWFLSA-N 2 2 294.414 3.174 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(F)c1 ZINC001237079742 819662048 /nfs/dbraw/zinc/66/20/48/819662048.db2.gz ALZBUOCEVHMYIV-QGZVFWFLSA-N 2 2 294.414 3.174 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001237701994 819813931 /nfs/dbraw/zinc/81/39/31/819813931.db2.gz OBHNFHZPLNAASB-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP Cc1cc(C)c(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001237701994 819813940 /nfs/dbraw/zinc/81/39/40/819813940.db2.gz OBHNFHZPLNAASB-NVXWUHKLSA-N 2 2 292.854 3.340 20 0 CGADLP COc1ccc(C)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001237712263 819818120 /nfs/dbraw/zinc/81/81/20/819818120.db2.gz FKFIWRZPBDOQOD-UHFFFAOYSA-N 2 2 288.435 3.064 20 0 CGADLP COc1ccoc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001237872632 819863421 /nfs/dbraw/zinc/86/34/21/819863421.db2.gz XFLXMKRVKRCSLB-HNNXBMFYSA-N 2 2 292.423 3.129 20 0 CGADLP COc1ccoc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001237872632 819863429 /nfs/dbraw/zinc/86/34/29/819863429.db2.gz XFLXMKRVKRCSLB-HNNXBMFYSA-N 2 2 292.423 3.129 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(C2CC2)c1 ZINC001238515492 820035996 /nfs/dbraw/zinc/03/59/96/820035996.db2.gz IVIJPMICGWWIOH-UHFFFAOYSA-N 2 2 287.382 3.422 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(C2CC2)c1 ZINC001238515492 820036008 /nfs/dbraw/zinc/03/60/08/820036008.db2.gz IVIJPMICGWWIOH-UHFFFAOYSA-N 2 2 287.382 3.422 20 0 CGADLP COCc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239953967 820735994 /nfs/dbraw/zinc/73/59/94/820735994.db2.gz KOIRYBBRENNGDW-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP COCc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239953967 820736001 /nfs/dbraw/zinc/73/60/01/820736001.db2.gz KOIRYBBRENNGDW-SFHVURJKSA-N 2 2 296.414 3.033 20 0 CGADLP Cc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240596116 821177706 /nfs/dbraw/zinc/17/77/06/821177706.db2.gz XTDIBUPSHQXUFN-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001240596116 821177711 /nfs/dbraw/zinc/17/77/11/821177711.db2.gz XTDIBUPSHQXUFN-QGZVFWFLSA-N 2 2 284.378 3.334 20 0 CGADLP COc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1C ZINC001241036905 821512783 /nfs/dbraw/zinc/51/27/83/821512783.db2.gz QSMRVVFCYAVSQT-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP COc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1C ZINC001241036905 821512786 /nfs/dbraw/zinc/51/27/86/821512786.db2.gz QSMRVVFCYAVSQT-KRWDZBQOSA-N 2 2 296.414 3.204 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241281780 821700907 /nfs/dbraw/zinc/70/09/07/821700907.db2.gz ICMJWGJAZAMUJI-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001241281780 821700914 /nfs/dbraw/zinc/70/09/14/821700914.db2.gz ICMJWGJAZAMUJI-INIZCTEOSA-N 2 2 284.378 3.334 20 0 CGADLP Cc1cscc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001241729712 822108970 /nfs/dbraw/zinc/10/89/70/822108970.db2.gz RRUHVWXDCCNUNT-UHFFFAOYSA-N 2 2 269.373 3.058 20 0 CGADLP c1cc2cccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)c2[nH]1 ZINC001242361729 822967056 /nfs/dbraw/zinc/96/70/56/822967056.db2.gz WTHCEKZIMCTDED-UHFFFAOYSA-N 2 2 288.354 3.169 20 0 CGADLP Cc1coc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001343246265 936492596 /nfs/dbraw/zinc/49/25/96/936492596.db2.gz MCTYUACYLIZJHV-UHFFFAOYSA-N 2 2 271.364 3.060 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000399015840 926754261 /nfs/dbraw/zinc/75/42/61/926754261.db2.gz FVZVMIGEIZQGKK-HBUWYVDXSA-N 2 2 272.436 3.357 20 0 CGADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399019620 926755125 /nfs/dbraw/zinc/75/51/25/926755125.db2.gz DPUGDHFNQPRIFW-AGIUHOORSA-N 2 2 252.427 3.319 20 0 CGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308258484 928870452 /nfs/dbraw/zinc/87/04/52/928870452.db2.gz HPDTUJVXRBIEFD-QZTJIDSGSA-N 2 2 296.499 3.293 20 0 CGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001308258484 928870455 /nfs/dbraw/zinc/87/04/55/928870455.db2.gz HPDTUJVXRBIEFD-QZTJIDSGSA-N 2 2 296.499 3.293 20 0 CGADLP CCCC[C@@H](CC)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001460762981 937543774 /nfs/dbraw/zinc/54/37/74/937543774.db2.gz XOAFKVBWGSRHBZ-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@@H](CC)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001460762981 937543776 /nfs/dbraw/zinc/54/37/76/937543776.db2.gz XOAFKVBWGSRHBZ-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001460762981 937543778 /nfs/dbraw/zinc/54/37/78/937543778.db2.gz XOAFKVBWGSRHBZ-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCCC[C@@H](CC)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001460762981 937543779 /nfs/dbraw/zinc/54/37/79/937543779.db2.gz XOAFKVBWGSRHBZ-OWCLPIDISA-N 2 2 252.446 3.371 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001461655760 937590447 /nfs/dbraw/zinc/59/04/47/937590447.db2.gz UTOOQCNJBSFQKM-MSOLQXFVSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001461655760 937590449 /nfs/dbraw/zinc/59/04/49/937590449.db2.gz UTOOQCNJBSFQKM-MSOLQXFVSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001461655766 937590470 /nfs/dbraw/zinc/59/04/70/937590470.db2.gz UTOOQCNJBSFQKM-ZWKOTPCHSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC001461655766 937590473 /nfs/dbraw/zinc/59/04/73/937590473.db2.gz UTOOQCNJBSFQKM-ZWKOTPCHSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001461655762 937590551 /nfs/dbraw/zinc/59/05/51/937590551.db2.gz UTOOQCNJBSFQKM-QZTJIDSGSA-N 2 2 272.436 3.008 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC001461655762 937590553 /nfs/dbraw/zinc/59/05/53/937590553.db2.gz UTOOQCNJBSFQKM-QZTJIDSGSA-N 2 2 272.436 3.008 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)o1 ZINC001461832170 937600360 /nfs/dbraw/zinc/60/03/60/937600360.db2.gz LOSSFZMBYSTRSB-NSHDSACASA-N 2 2 258.793 3.143 20 0 CGADLP CC[NH+](CC)C[C@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082758 932674121 /nfs/dbraw/zinc/67/41/21/932674121.db2.gz YVYMRLZSOHULNB-ZDUSSCGKSA-N 2 2 273.380 3.186 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H](C)[NH+](C)C ZINC001462248548 937627714 /nfs/dbraw/zinc/62/77/14/937627714.db2.gz LHIWFCYBBSLZMR-CABCVRRESA-N 2 2 274.452 3.036 20 0 CGADLP Clc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001462386927 937637109 /nfs/dbraw/zinc/63/71/09/937637109.db2.gz NUIYXHQMANLXHS-IAGOWNOFSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001462386927 937637111 /nfs/dbraw/zinc/63/71/11/937637111.db2.gz NUIYXHQMANLXHS-IAGOWNOFSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001462386938 937637485 /nfs/dbraw/zinc/63/74/85/937637485.db2.gz NUIYXHQMANLXHS-IRXDYDNUSA-N 2 2 292.854 3.489 20 0 CGADLP Clc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001462386938 937637486 /nfs/dbraw/zinc/63/74/86/937637486.db2.gz NUIYXHQMANLXHS-IRXDYDNUSA-N 2 2 292.854 3.489 20 0 CGADLP Cc1cccc(Cl)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001307487384 932959687 /nfs/dbraw/zinc/95/96/87/932959687.db2.gz AVBPNDYIODXALL-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001307487384 932959692 /nfs/dbraw/zinc/95/96/92/932959692.db2.gz AVBPNDYIODXALL-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001307487384 932959695 /nfs/dbraw/zinc/95/96/95/932959695.db2.gz AVBPNDYIODXALL-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP Cc1cccc(Cl)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC001307487384 932959699 /nfs/dbraw/zinc/95/96/99/932959699.db2.gz AVBPNDYIODXALL-AWEZNQCLSA-N 2 2 280.843 3.422 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC001308261671 933083229 /nfs/dbraw/zinc/08/32/29/933083229.db2.gz SSUASTGKCKTOKR-CVEARBPZSA-N 2 2 290.451 3.132 20 0 CGADLP CCc1ncc(C[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC001308299772 933091894 /nfs/dbraw/zinc/09/18/94/933091894.db2.gz FCRIAPQDWQLJQU-UHFFFAOYSA-N 2 2 283.485 3.304 20 0 CGADLP Cc1cccnc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC001319992015 933973432 /nfs/dbraw/zinc/97/34/32/933973432.db2.gz KGPFJOHHAWQOFA-UHFFFAOYSA-N 2 2 287.451 3.134 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485090 937808692 /nfs/dbraw/zinc/80/86/92/937808692.db2.gz VUVMZYPOVCPEGZ-YYIAUSFCSA-N 2 2 296.499 3.146 20 0 CGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC001473485090 937808694 /nfs/dbraw/zinc/80/86/94/937808694.db2.gz VUVMZYPOVCPEGZ-YYIAUSFCSA-N 2 2 296.499 3.146 20 0 CGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC001325625404 934921482 /nfs/dbraw/zinc/92/14/82/934921482.db2.gz KIUKUBGWQOUDOG-ZDUSSCGKSA-N 2 2 289.448 3.206 20 0 CGADLP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]c2ccccc12 ZINC001326233876 934961111 /nfs/dbraw/zinc/96/11/11/934961111.db2.gz GZBDVUZDTULURD-INIZCTEOSA-N 2 2 295.430 3.465 20 0 CGADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001327417173 935057643 /nfs/dbraw/zinc/05/76/43/935057643.db2.gz ZKZBDUIWXBPMCM-SECBINFHSA-N 2 2 291.222 3.090 20 0 CGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccccc1C ZINC001328323042 935129558 /nfs/dbraw/zinc/12/95/58/935129558.db2.gz PTGAOHFWTAYJIA-UHFFFAOYSA-N 2 2 292.342 3.136 20 0 CGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC001332944496 935498840 /nfs/dbraw/zinc/49/88/40/935498840.db2.gz CJKKFUXORPGDMK-IIYDPXPESA-N 2 2 258.409 3.040 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001333735670 936061347 /nfs/dbraw/zinc/06/13/47/936061347.db2.gz KNNCHTFQFBLCKB-UHFFFAOYSA-N 2 2 287.451 3.273 20 0 CGADLP CC[NH+](CC)C1CC[NH+](CCOC2CCCCC2)CC1 ZINC001337585658 936271480 /nfs/dbraw/zinc/27/14/80/936271480.db2.gz JQHPFKRKHRYGEM-UHFFFAOYSA-N 2 2 282.472 3.142 20 0 CGADLP C[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)CC1CCCCC1 ZINC001473928325 937831105 /nfs/dbraw/zinc/83/11/05/937831105.db2.gz XTTKFMCAFUHXET-GJZGRUSLSA-N 2 2 263.429 3.468 20 0 CGADLP C[NH+](C)C1(C[NH2+]C2CC(Sc3ccccc3)C2)CCC1 ZINC001474450762 937860388 /nfs/dbraw/zinc/86/03/88/937860388.db2.gz WWNLPNRZHWEVCB-UHFFFAOYSA-N 2 2 290.476 3.384 20 0 CGADLP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC1 ZINC001474671060 937874218 /nfs/dbraw/zinc/87/42/18/937874218.db2.gz OOWOWSAMFRULKK-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CC1 ZINC001474671060 937874219 /nfs/dbraw/zinc/87/42/19/937874219.db2.gz OOWOWSAMFRULKK-ROUUACIJSA-N 2 2 294.483 3.188 20 0 CGADLP COc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)c1 ZINC001551377680 938180399 /nfs/dbraw/zinc/18/03/99/938180399.db2.gz IRVLQYHHOKTLPB-AGRHKRQWSA-N 2 2 296.414 3.279 20 0 CGADLP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1N(C)C ZINC001551376634 938180447 /nfs/dbraw/zinc/18/04/47/938180447.db2.gz BJGCQQOPZNVAHZ-SOVGHPHASA-N 2 2 295.430 3.028 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2[NH3+])c(C)s1 ZINC001551403560 938181838 /nfs/dbraw/zinc/18/18/38/938181838.db2.gz SHDPAOQIMRAZAA-CVEARBPZSA-N 2 2 272.417 3.079 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC001560262248 938249922 /nfs/dbraw/zinc/24/99/22/938249922.db2.gz VFQUGWUPOIXEHB-YESZJQIVSA-N 2 2 264.457 3.443 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001560611469 938265435 /nfs/dbraw/zinc/26/54/35/938265435.db2.gz ZESGMQRIVKXGQV-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001560611469 938265436 /nfs/dbraw/zinc/26/54/36/938265436.db2.gz ZESGMQRIVKXGQV-ARFHVFGLSA-N 2 2 250.430 3.053 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001560807983 938277221 /nfs/dbraw/zinc/27/72/21/938277221.db2.gz QRKPLDOFIGPYDP-BFYDXBDKSA-N 2 2 264.457 3.419 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001560807983 938277222 /nfs/dbraw/zinc/27/72/22/938277222.db2.gz QRKPLDOFIGPYDP-BFYDXBDKSA-N 2 2 264.457 3.419 20 0 CGADLP CC(C)c1cccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530189 960410503 /nfs/dbraw/zinc/41/05/03/960410503.db2.gz QMBVWJHCKQYNLG-QGZVFWFLSA-N 2 2 260.425 3.382 20 0 CGADLP CC(C)c1cccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236530189 960410510 /nfs/dbraw/zinc/41/05/10/960410510.db2.gz QMBVWJHCKQYNLG-QGZVFWFLSA-N 2 2 260.425 3.382 20 0 CGADLP CCC(CC)(C[NH3+])[NH2+]Cc1cccc(C)c1Br ZINC001577059216 962508297 /nfs/dbraw/zinc/50/82/97/962508297.db2.gz NEOWZGMGGKVWIW-UHFFFAOYSA-N 2 2 299.256 3.365 20 0 CGADLP CCCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC001577609145 962557451 /nfs/dbraw/zinc/55/74/51/962557451.db2.gz YDYPRJCGHCBQQD-AWEZNQCLSA-N 2 2 264.438 3.075 20 0 CGADLP CCOc1c(Cl)cccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC001578163988 962578311 /nfs/dbraw/zinc/57/83/11/962578311.db2.gz ZEPBAVVOADFJIX-CYBMUJFWSA-N 2 2 284.831 3.202 20 0 CGADLP C[NH2+]CC[NH2+]Cc1cccc(-c2ccc(Cl)cc2)c1 ZINC001578708014 962590980 /nfs/dbraw/zinc/59/09/80/962590980.db2.gz ZQOSMQXYJDMLMO-UHFFFAOYSA-N 2 2 274.795 3.316 20 0 CGADLP COc1cc(C)[nH+]c(CN2c3ccccc3[C@H]([NH3+])C2(C)C)c1 ZINC001579146492 962608329 /nfs/dbraw/zinc/60/83/29/962608329.db2.gz OVFZJCYEXDEVHR-KRWDZBQOSA-N 2 2 297.402 3.197 20 0 CGADLP Cc1n[nH]cc1C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC001579840119 962677482 /nfs/dbraw/zinc/67/74/82/962677482.db2.gz WSABQJXBSNFUQK-OAHLLOKOSA-N 2 2 292.471 3.051 20 0 CGADLP [NH3+]C[C@H]1CCCC12CC[NH+](Cc1ncc(Cl)s1)CC2 ZINC001580261005 962703643 /nfs/dbraw/zinc/70/36/43/962703643.db2.gz VTZBZFZLXPDKDI-LLVKDONJSA-N 2 2 299.871 3.138 20 0 CGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124349863 187134009 /nfs/dbraw/zinc/13/40/09/187134009.db2.gz DXICOMUGSWQDOP-INIZCTEOSA-N 2 2 257.381 3.356 20 0 CGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124349863 187134010 /nfs/dbraw/zinc/13/40/10/187134010.db2.gz DXICOMUGSWQDOP-INIZCTEOSA-N 2 2 257.381 3.356 20 0 CGADLP CCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337406113 214061559 /nfs/dbraw/zinc/06/15/59/214061559.db2.gz JKLPARSYRJYBLT-UAGQMJEPSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337406113 214061560 /nfs/dbraw/zinc/06/15/60/214061560.db2.gz JKLPARSYRJYBLT-UAGQMJEPSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337406113 214061562 /nfs/dbraw/zinc/06/15/62/214061562.db2.gz JKLPARSYRJYBLT-UAGQMJEPSA-N 2 2 275.440 3.195 20 0 CGADLP CCC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337406113 214061564 /nfs/dbraw/zinc/06/15/64/214061564.db2.gz JKLPARSYRJYBLT-UAGQMJEPSA-N 2 2 275.440 3.195 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)oc1C ZINC000337414145 214066349 /nfs/dbraw/zinc/06/63/49/214066349.db2.gz OQEMCWNCMVSATE-MBNYWOFBSA-N 2 2 250.386 3.030 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)oc1C ZINC000337414145 214066352 /nfs/dbraw/zinc/06/63/52/214066352.db2.gz OQEMCWNCMVSATE-MBNYWOFBSA-N 2 2 250.386 3.030 20 0 CGADLP Clc1cncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000621258652 349483319 /nfs/dbraw/zinc/48/33/19/349483319.db2.gz UIEAVWSVFDENDJ-MRXNPFEDSA-N 2 2 293.842 3.185 20 0 CGADLP Clc1cncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000621258652 349483322 /nfs/dbraw/zinc/48/33/22/349483322.db2.gz UIEAVWSVFDENDJ-MRXNPFEDSA-N 2 2 293.842 3.185 20 0 CGADLP CCCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000621331481 349497882 /nfs/dbraw/zinc/49/78/82/349497882.db2.gz CFGOXKWXNWRGOF-CYBMUJFWSA-N 2 2 277.437 3.323 20 0 CGADLP Cn1c[nH+]cc1CCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621400602 349519689 /nfs/dbraw/zinc/51/96/89/349519689.db2.gz MEGVPPNNOJFYDB-CQSZACIVSA-N 2 2 285.382 3.156 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000651650060 398262749 /nfs/dbraw/zinc/26/27/49/398262749.db2.gz AXPIHBKSWAKWHF-DNVCBOLYSA-N 2 2 295.430 3.455 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)C[C@H]1n1cc[nH+]c1 ZINC000651650060 398262752 /nfs/dbraw/zinc/26/27/52/398262752.db2.gz AXPIHBKSWAKWHF-DNVCBOLYSA-N 2 2 295.430 3.455 20 0 CGADLP c1cn(C2CC[NH+](Cc3cccc4c3CCC4)CC2)c[nH+]1 ZINC000651626166 398260112 /nfs/dbraw/zinc/26/01/12/398260112.db2.gz GIDUZMVMZZTKFE-UHFFFAOYSA-N 2 2 281.403 3.209 20 0 CGADLP CCSc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622004175 349621155 /nfs/dbraw/zinc/62/11/55/349621155.db2.gz LPGXLWHYOKUJES-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CCSc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622004175 349621157 /nfs/dbraw/zinc/62/11/57/349621157.db2.gz LPGXLWHYOKUJES-HOCLYGCPSA-N 2 2 276.449 3.112 20 0 CGADLP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797557 398290024 /nfs/dbraw/zinc/29/00/24/398290024.db2.gz YHSFPLFMRVZOQJ-GDBMZVCRSA-N 2 2 261.413 3.278 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](OC(C)C)C2)c[nH+]1 ZINC000651897739 398303064 /nfs/dbraw/zinc/30/30/64/398303064.db2.gz JLJLFKBNWFUXMJ-KRWDZBQOSA-N 2 2 276.424 3.212 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](OC(C)C)C2)c[nH+]1 ZINC000651897739 398303067 /nfs/dbraw/zinc/30/30/67/398303067.db2.gz JLJLFKBNWFUXMJ-KRWDZBQOSA-N 2 2 276.424 3.212 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000423484670 529453561 /nfs/dbraw/zinc/45/35/61/529453561.db2.gz YSTPWXUASQELGP-ROUUACIJSA-N 2 2 268.404 3.411 20 0 CGADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423475124 529453568 /nfs/dbraw/zinc/45/35/68/529453568.db2.gz RODCVIJJXRIZKK-OCCSQVGLSA-N 2 2 260.381 3.438 20 0 CGADLP CC[C@@H](F)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782052 529550922 /nfs/dbraw/zinc/55/09/22/529550922.db2.gz UQOHIASATNQKGB-DLBZAZTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440782052 529550925 /nfs/dbraw/zinc/55/09/25/529550925.db2.gz UQOHIASATNQKGB-DLBZAZTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440782052 529550929 /nfs/dbraw/zinc/55/09/29/529550929.db2.gz UQOHIASATNQKGB-DLBZAZTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@@H](F)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440782052 529550933 /nfs/dbraw/zinc/55/09/33/529550933.db2.gz UQOHIASATNQKGB-DLBZAZTESA-N 2 2 278.415 3.188 20 0 CGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cc(F)ccc1F ZINC000425944393 529610598 /nfs/dbraw/zinc/61/05/98/529610598.db2.gz WZEDNXVFIYUTSD-ABAIWWIYSA-N 2 2 270.367 3.203 20 0 CGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089032 349758599 /nfs/dbraw/zinc/75/85/99/349758599.db2.gz RHIMASUGMOLVRH-TZMCWYRMSA-N 2 2 274.399 3.132 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cn1 ZINC000423389173 529622591 /nfs/dbraw/zinc/62/25/91/529622591.db2.gz NKHBUZLUACGSRF-DZGCQCFKSA-N 2 2 279.403 3.040 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)C1CCSCC1 ZINC000423505605 529612215 /nfs/dbraw/zinc/61/22/15/529612215.db2.gz OOPKTUHFACCYOQ-GUYCJALGSA-N 2 2 292.492 3.370 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1CCF ZINC000423505675 529617936 /nfs/dbraw/zinc/61/79/36/529617936.db2.gz ORTWUKBLSQUZSI-UAGQMJEPSA-N 2 2 278.415 3.367 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623353424 349786485 /nfs/dbraw/zinc/78/64/85/349786485.db2.gz LBJQSFJBNWHRRJ-IAGOWNOFSA-N 3 2 297.531 3.205 20 0 CGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(C)C ZINC000623353424 349786488 /nfs/dbraw/zinc/78/64/88/349786488.db2.gz LBJQSFJBNWHRRJ-IAGOWNOFSA-N 3 2 297.531 3.205 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1OC(F)F ZINC000358400024 529661733 /nfs/dbraw/zinc/66/17/33/529661733.db2.gz KKDUFDOHWHDCSY-KWCYVHTRSA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1OC(F)F ZINC000358400024 529661735 /nfs/dbraw/zinc/66/17/35/529661735.db2.gz KKDUFDOHWHDCSY-KWCYVHTRSA-N 2 2 298.377 3.279 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000423550388 529669824 /nfs/dbraw/zinc/66/98/24/529669824.db2.gz IICLXBVWFXRLOQ-GJZGRUSLSA-N 2 2 250.361 3.009 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623380816 349794643 /nfs/dbraw/zinc/79/46/43/349794643.db2.gz RFQAQRYPZOLKRO-AWEZNQCLSA-N 2 2 296.842 3.311 20 0 CGADLP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380816 349794646 /nfs/dbraw/zinc/79/46/46/349794646.db2.gz RFQAQRYPZOLKRO-AWEZNQCLSA-N 2 2 296.842 3.311 20 0 CGADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000294979232 199281538 /nfs/dbraw/zinc/28/15/38/199281538.db2.gz GWAHNYLSWZZMFK-CYBMUJFWSA-N 2 2 299.374 3.201 20 0 CGADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450150 349812342 /nfs/dbraw/zinc/81/23/42/349812342.db2.gz WIQSWUQIJXVCHF-TZMCWYRMSA-N 2 2 294.826 3.236 20 0 CGADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1(C)C ZINC000623450150 349812346 /nfs/dbraw/zinc/81/23/46/349812346.db2.gz WIQSWUQIJXVCHF-TZMCWYRMSA-N 2 2 294.826 3.236 20 0 CGADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000295007604 199296931 /nfs/dbraw/zinc/29/69/31/199296931.db2.gz ZEKWDRDRKXHRNQ-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000295007604 199296933 /nfs/dbraw/zinc/29/69/33/199296933.db2.gz ZEKWDRDRKXHRNQ-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1F ZINC000295007604 199296934 /nfs/dbraw/zinc/29/69/34/199296934.db2.gz ZEKWDRDRKXHRNQ-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1F ZINC000295007604 199296935 /nfs/dbraw/zinc/29/69/35/199296935.db2.gz ZEKWDRDRKXHRNQ-UKRRQHHQSA-N 2 2 264.388 3.049 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474680 349815871 /nfs/dbraw/zinc/81/58/71/349815871.db2.gz LIBCHNNIXGSTSU-KBPBESRZSA-N 2 2 279.428 3.205 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1c(C)noc1C ZINC000623474680 349815873 /nfs/dbraw/zinc/81/58/73/349815873.db2.gz LIBCHNNIXGSTSU-KBPBESRZSA-N 2 2 279.428 3.205 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295029228 199308485 /nfs/dbraw/zinc/30/84/85/199308485.db2.gz MWRKFSSTCIVVSG-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000295029228 199308487 /nfs/dbraw/zinc/30/84/87/199308487.db2.gz MWRKFSSTCIVVSG-KRWDZBQOSA-N 2 2 288.435 3.053 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000623878671 349903452 /nfs/dbraw/zinc/90/34/52/349903452.db2.gz NIRNMVAZQSLRJL-RYQLBKOJSA-N 2 2 290.451 3.145 20 0 CGADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000423226619 529979203 /nfs/dbraw/zinc/97/92/03/529979203.db2.gz RMSKRZDMYDDPLG-CQSZACIVSA-N 2 2 284.831 3.245 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC1 ZINC000358621369 529999980 /nfs/dbraw/zinc/99/99/80/529999980.db2.gz VLYILPSHJRWFAX-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC1 ZINC000358621369 529999981 /nfs/dbraw/zinc/99/99/81/529999981.db2.gz VLYILPSHJRWFAX-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC1CC1 ZINC000358863191 530000055 /nfs/dbraw/zinc/00/00/55/530000055.db2.gz SOFVLHCUZFFJMX-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC1CC1 ZINC000358863191 530000056 /nfs/dbraw/zinc/00/00/56/530000056.db2.gz SOFVLHCUZFFJMX-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672835 344964651 /nfs/dbraw/zinc/96/46/51/344964651.db2.gz KPVUHOQDSJSIAR-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672835 344964655 /nfs/dbraw/zinc/96/46/55/344964655.db2.gz KPVUHOQDSJSIAR-CYBMUJFWSA-N 2 2 272.392 3.179 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672709 344964931 /nfs/dbraw/zinc/96/49/31/344964931.db2.gz IBKUVSAXKYOLTP-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672709 344964933 /nfs/dbraw/zinc/96/49/33/344964933.db2.gz IBKUVSAXKYOLTP-HNNXBMFYSA-N 2 2 284.403 3.032 20 0 CGADLP c1cn(CCCCNc2cc[nH+]c3ccccc23)c[nH+]1 ZINC000045108238 345020676 /nfs/dbraw/zinc/02/06/76/345020676.db2.gz DWKRSLKNQSFWBZ-UHFFFAOYSA-N 2 2 266.348 3.324 20 0 CGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094562 345020829 /nfs/dbraw/zinc/02/08/29/345020829.db2.gz VEPAJZOPWAMTNY-OAHLLOKOSA-N 2 2 257.381 3.323 20 0 CGADLP c1csc(C[N@H+]2CCC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000064550902 345262327 /nfs/dbraw/zinc/26/23/27/345262327.db2.gz JFHPNFAWNULIOB-AWEZNQCLSA-N 2 2 287.432 3.467 20 0 CGADLP c1csc(C[N@@H+]2CCC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000064550902 345262329 /nfs/dbraw/zinc/26/23/29/345262329.db2.gz JFHPNFAWNULIOB-AWEZNQCLSA-N 2 2 287.432 3.467 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000070975929 345399831 /nfs/dbraw/zinc/39/98/31/345399831.db2.gz RWPAEXMRBZJUOG-QGZVFWFLSA-N 2 2 260.425 3.082 20 0 CGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000070975929 345399834 /nfs/dbraw/zinc/39/98/34/345399834.db2.gz RWPAEXMRBZJUOG-QGZVFWFLSA-N 2 2 260.425 3.082 20 0 CGADLP c1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000144878175 232201208 /nfs/dbraw/zinc/20/12/08/232201208.db2.gz MORSPGHTWXIFQR-FQEVSTJZSA-N 2 2 294.442 3.483 20 0 CGADLP c1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000144878175 232201213 /nfs/dbraw/zinc/20/12/13/232201213.db2.gz MORSPGHTWXIFQR-FQEVSTJZSA-N 2 2 294.442 3.483 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1C(F)(F)F ZINC000154582566 232219893 /nfs/dbraw/zinc/21/98/93/232219893.db2.gz WAGNNJHJORBBME-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1C(F)(F)F ZINC000154582566 232219896 /nfs/dbraw/zinc/21/98/96/232219896.db2.gz WAGNNJHJORBBME-NWDGAFQWSA-N 2 2 286.341 3.450 20 0 CGADLP Clc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080933469 345690002 /nfs/dbraw/zinc/69/00/02/345690002.db2.gz KKJXTKBBCFCYEX-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080933469 345690003 /nfs/dbraw/zinc/69/00/03/345690003.db2.gz KKJXTKBBCFCYEX-CYBMUJFWSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959882 345691901 /nfs/dbraw/zinc/69/19/01/345691901.db2.gz MYYRNSVFSSLXNV-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959882 345691902 /nfs/dbraw/zinc/69/19/02/345691902.db2.gz MYYRNSVFSSLXNV-ZDUSSCGKSA-N 2 2 275.783 3.443 20 0 CGADLP Cl/C=C/C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686962 571815485 /nfs/dbraw/zinc/81/54/85/571815485.db2.gz ZJTRZYGBBNPWPM-VFADXPBXSA-N 2 2 270.848 3.327 20 0 CGADLP Cl/C=C/C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686962 571815491 /nfs/dbraw/zinc/81/54/91/571815491.db2.gz ZJTRZYGBBNPWPM-VFADXPBXSA-N 2 2 270.848 3.327 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000092072443 345830452 /nfs/dbraw/zinc/83/04/52/345830452.db2.gz FTXZEZQSEKXQQK-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000092072443 345830453 /nfs/dbraw/zinc/83/04/53/345830453.db2.gz FTXZEZQSEKXQQK-CQSZACIVSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071439 345830487 /nfs/dbraw/zinc/83/04/87/345830487.db2.gz XGMUGFZAAVOXCW-CYBMUJFWSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092071439 345830489 /nfs/dbraw/zinc/83/04/89/345830489.db2.gz XGMUGFZAAVOXCW-CYBMUJFWSA-N 2 2 273.355 3.237 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093866108 345890117 /nfs/dbraw/zinc/89/01/17/345890117.db2.gz NCPRCBZWYQALDL-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000093866108 345890121 /nfs/dbraw/zinc/89/01/21/345890121.db2.gz NCPRCBZWYQALDL-GOSISDBHSA-N 2 2 282.387 3.352 20 0 CGADLP c1cc2c(cccc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000093866285 345890969 /nfs/dbraw/zinc/89/09/69/345890969.db2.gz JQAMHKWVXGUFMO-MRXNPFEDSA-N 2 2 293.370 3.216 20 0 CGADLP c1cc2c(cccc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]1 ZINC000093866285 345890970 /nfs/dbraw/zinc/89/09/70/345890970.db2.gz JQAMHKWVXGUFMO-MRXNPFEDSA-N 2 2 293.370 3.216 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866035 345891043 /nfs/dbraw/zinc/89/10/43/345891043.db2.gz HSOOBCGAJLXVHK-QGZVFWFLSA-N 2 2 286.350 3.182 20 0 CGADLP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866035 345891045 /nfs/dbraw/zinc/89/10/45/345891045.db2.gz HSOOBCGAJLXVHK-QGZVFWFLSA-N 2 2 286.350 3.182 20 0 CGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563597 345883224 /nfs/dbraw/zinc/88/32/24/345883224.db2.gz XXMCZOXJYFAKAP-CYBMUJFWSA-N 2 2 282.815 3.383 20 0 CGADLP Clc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563597 345883228 /nfs/dbraw/zinc/88/32/28/345883228.db2.gz XXMCZOXJYFAKAP-CYBMUJFWSA-N 2 2 282.815 3.383 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638541 345883608 /nfs/dbraw/zinc/88/36/08/345883608.db2.gz ISDXRMOSAJZALU-YPMHNXCESA-N 2 2 270.804 3.095 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638541 345883609 /nfs/dbraw/zinc/88/36/09/345883609.db2.gz ISDXRMOSAJZALU-YPMHNXCESA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638541 345883614 /nfs/dbraw/zinc/88/36/14/345883614.db2.gz ISDXRMOSAJZALU-YPMHNXCESA-N 2 2 270.804 3.095 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000093638541 345883617 /nfs/dbraw/zinc/88/36/17/345883617.db2.gz ISDXRMOSAJZALU-YPMHNXCESA-N 2 2 270.804 3.095 20 0 CGADLP c1cn(CCCC[NH2+]Cc2ccc(C3CC3)cc2)c[nH+]1 ZINC000094519581 345898562 /nfs/dbraw/zinc/89/85/62/345898562.db2.gz XYUDQNSSBNDBLM-UHFFFAOYSA-N 2 2 269.392 3.331 20 0 CGADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000113604189 345961000 /nfs/dbraw/zinc/96/10/00/345961000.db2.gz YQZRZVPUHGSVPK-JTQLQIEISA-N 2 2 260.303 3.047 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000113604189 345961002 /nfs/dbraw/zinc/96/10/02/345961002.db2.gz YQZRZVPUHGSVPK-JTQLQIEISA-N 2 2 260.303 3.047 20 0 CGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000131604524 346066567 /nfs/dbraw/zinc/06/65/67/346066567.db2.gz VGXVCAGNTAWGHJ-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000131604524 346066569 /nfs/dbraw/zinc/06/65/69/346066569.db2.gz VGXVCAGNTAWGHJ-CYBMUJFWSA-N 2 2 260.406 3.085 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000142491301 346111491 /nfs/dbraw/zinc/11/14/91/346111491.db2.gz AQPVTFFIPCSISC-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2s1 ZINC000142491301 346111493 /nfs/dbraw/zinc/11/14/93/346111493.db2.gz AQPVTFFIPCSISC-ZDUSSCGKSA-N 2 2 260.406 3.215 20 0 CGADLP COCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000177849248 232377250 /nfs/dbraw/zinc/37/72/50/232377250.db2.gz QNWOAMWQTLXFDD-SJORKVTESA-N 2 2 284.488 3.292 20 0 CGADLP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250518335 346385872 /nfs/dbraw/zinc/38/58/72/346385872.db2.gz QMKQEKUYWBJVTM-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250518335 346385874 /nfs/dbraw/zinc/38/58/74/346385874.db2.gz QMKQEKUYWBJVTM-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CC(C)CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000311528725 346474087 /nfs/dbraw/zinc/47/40/87/346474087.db2.gz GNSJFVFJUZZTNH-MRXNPFEDSA-N 2 2 263.429 3.468 20 0 CGADLP C[C@@H](F)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000351752203 219195767 /nfs/dbraw/zinc/19/57/67/219195767.db2.gz OHFPXPZNWDRAGM-OLZOCXBDSA-N 2 2 261.344 3.271 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1C ZINC000584850736 346718872 /nfs/dbraw/zinc/71/88/72/346718872.db2.gz QQDVKYXBMBVNGF-GDBMZVCRSA-N 2 2 287.382 3.294 20 0 CGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000585747443 346728964 /nfs/dbraw/zinc/72/89/64/346728964.db2.gz IHQRJDKZKWFWSP-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000585747443 346728968 /nfs/dbraw/zinc/72/89/68/346728968.db2.gz IHQRJDKZKWFWSP-UHFFFAOYSA-N 2 2 299.418 3.263 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000584588182 346685641 /nfs/dbraw/zinc/68/56/41/346685641.db2.gz UPASOAXGDUVWJO-YOEHRIQHSA-N 2 2 282.387 3.087 20 0 CGADLP C[C@H](CSCCF)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000595034142 347264808 /nfs/dbraw/zinc/26/48/08/347264808.db2.gz VHAWKUYWSPSADQ-FMKPAKJESA-N 2 2 298.471 3.359 20 0 CGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)c[nH+]1 ZINC000604386333 348118066 /nfs/dbraw/zinc/11/80/66/348118066.db2.gz OWBGXIBKRPPQPS-SFHVURJKSA-N 2 2 281.403 3.209 20 0 CGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCC4)C2)c[nH+]1 ZINC000604386333 348118069 /nfs/dbraw/zinc/11/80/69/348118069.db2.gz OWBGXIBKRPPQPS-SFHVURJKSA-N 2 2 281.403 3.209 20 0 CGADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608083030 348283998 /nfs/dbraw/zinc/28/39/98/348283998.db2.gz LHPVCYGLHJDFGZ-AWEZNQCLSA-N 2 2 296.349 3.412 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCSCC1 ZINC000624188302 349996280 /nfs/dbraw/zinc/99/62/80/349996280.db2.gz CECIEYLIIMSGEY-CJNGLKHVSA-N 2 2 282.497 3.125 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCSCC1 ZINC000624188302 349996283 /nfs/dbraw/zinc/99/62/83/349996283.db2.gz CECIEYLIIMSGEY-CJNGLKHVSA-N 2 2 282.497 3.125 20 0 CGADLP COCCCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359024856 233242933 /nfs/dbraw/zinc/24/29/33/233242933.db2.gz BIMHNHURYTXBBD-NJAFHUGGSA-N 2 2 290.451 3.084 20 0 CGADLP COCCCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359024856 233242939 /nfs/dbraw/zinc/24/29/39/233242939.db2.gz BIMHNHURYTXBBD-NJAFHUGGSA-N 2 2 290.451 3.084 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271330109 191077952 /nfs/dbraw/zinc/07/79/52/191077952.db2.gz ZPZBNSVRFMBNHR-ZDUSSCGKSA-N 2 2 269.348 3.038 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000628190933 350433725 /nfs/dbraw/zinc/43/37/25/350433725.db2.gz VCDKRMNXQKQLTK-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1n1cc[nH+]c1 ZINC000628190933 350433728 /nfs/dbraw/zinc/43/37/28/350433728.db2.gz VCDKRMNXQKQLTK-KBXCAEBGSA-N 2 2 294.402 3.448 20 0 CGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166938 350419152 /nfs/dbraw/zinc/41/91/52/350419152.db2.gz YPCYYBJZIDOTAM-HUUCEWRRSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628166938 350419155 /nfs/dbraw/zinc/41/91/55/350419155.db2.gz YPCYYBJZIDOTAM-HUUCEWRRSA-N 2 2 279.453 3.114 20 0 CGADLP Cc1nc(C)c(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000628241322 350462033 /nfs/dbraw/zinc/46/20/33/350462033.db2.gz QYYBOWOEKSQWOL-UHFFFAOYSA-N 2 2 293.455 3.426 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000628214084 350443128 /nfs/dbraw/zinc/44/31/28/350443128.db2.gz JWVAVELLCDDGQQ-CABCVRRESA-N 2 2 260.425 3.171 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000628214084 350443133 /nfs/dbraw/zinc/44/31/33/350443133.db2.gz JWVAVELLCDDGQQ-CABCVRRESA-N 2 2 260.425 3.171 20 0 CGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000628214110 350443289 /nfs/dbraw/zinc/44/32/89/350443289.db2.gz KSGMJODCSHZBTR-AWEZNQCLSA-N 2 2 298.352 3.074 20 0 CGADLP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000628214110 350443292 /nfs/dbraw/zinc/44/32/92/350443292.db2.gz KSGMJODCSHZBTR-AWEZNQCLSA-N 2 2 298.352 3.074 20 0 CGADLP Cc1ccc([C@H](C)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000628265349 350470786 /nfs/dbraw/zinc/47/07/86/350470786.db2.gz AUHABWDUGJHYNT-OAHLLOKOSA-N 2 2 283.419 3.421 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000628280589 350476258 /nfs/dbraw/zinc/47/62/58/350476258.db2.gz WSVMMDIRLKGCAZ-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000628280589 350476262 /nfs/dbraw/zinc/47/62/62/350476262.db2.gz WSVMMDIRLKGCAZ-PMPSAXMXSA-N 2 2 275.440 3.426 20 0 CGADLP CCCN(CC[NH+]1CCCCCC1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628282993 350477773 /nfs/dbraw/zinc/47/77/73/350477773.db2.gz ARNCPXWCSCSSSQ-UHFFFAOYSA-N 2 2 292.471 3.115 20 0 CGADLP Cc1ccc(CCC[NH2+][C@@H]2COc3cccc(C)c3C2)c[nH+]1 ZINC000628404206 350528652 /nfs/dbraw/zinc/52/86/52/350528652.db2.gz XEQGZSPVXCUYIZ-KRWDZBQOSA-N 2 2 296.414 3.224 20 0 CGADLP C[C@]1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCCS1 ZINC000628419569 350532312 /nfs/dbraw/zinc/53/23/12/350532312.db2.gz VZUALSKAWRFCEF-JKSUJKDBSA-N 2 2 282.497 3.269 20 0 CGADLP C[C@]1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCCS1 ZINC000628419569 350532313 /nfs/dbraw/zinc/53/23/13/350532313.db2.gz VZUALSKAWRFCEF-JKSUJKDBSA-N 2 2 282.497 3.269 20 0 CGADLP Cc1cccn2c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c[nH+]c12 ZINC000628422802 350534454 /nfs/dbraw/zinc/53/44/54/350534454.db2.gz LWEBCKDHZKOAAU-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP Cc1cccn2c(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)c[nH+]c12 ZINC000628422802 350534458 /nfs/dbraw/zinc/53/44/58/350534458.db2.gz LWEBCKDHZKOAAU-CABCVRRESA-N 2 2 287.432 3.113 20 0 CGADLP Oc1ccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000628481300 350551222 /nfs/dbraw/zinc/55/12/22/350551222.db2.gz WUYMBPOUMYCVQY-HNNXBMFYSA-N 2 2 293.370 3.029 20 0 CGADLP Oc1ccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000628481300 350551223 /nfs/dbraw/zinc/55/12/23/350551223.db2.gz WUYMBPOUMYCVQY-HNNXBMFYSA-N 2 2 293.370 3.029 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000629526373 350702150 /nfs/dbraw/zinc/70/21/50/350702150.db2.gz RVQGZOMMGCBYIQ-KWCYVHTRSA-N 2 2 288.391 3.233 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)sc1C ZINC000629525752 350702515 /nfs/dbraw/zinc/70/25/15/350702515.db2.gz AVSXYEZTBBKPLQ-DDTOSNHZSA-N 2 2 252.427 3.156 20 0 CGADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000629527223 350702988 /nfs/dbraw/zinc/70/29/88/350702988.db2.gz OMDMSAWPGIPPOZ-ARFHVFGLSA-N 2 2 264.413 3.487 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C[NH2+]1 ZINC000629536625 350705869 /nfs/dbraw/zinc/70/58/69/350705869.db2.gz IDTQYNPGXOAESH-RIEGTJTDSA-N 2 2 264.800 3.057 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CCC2 ZINC000629541373 350707793 /nfs/dbraw/zinc/70/77/93/350707793.db2.gz URQCGNUJSDDEJF-FRFSOERESA-N 2 2 258.409 3.103 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)C[NH2+]1 ZINC000629540649 350707806 /nfs/dbraw/zinc/70/78/06/350707806.db2.gz RRRZOTGGAVJTBC-YRGRVCCFSA-N 2 2 262.397 3.023 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542760 350708194 /nfs/dbraw/zinc/70/81/94/350708194.db2.gz LCSJXZJKTBOLNS-BMFZPTHFSA-N 2 2 264.413 3.487 20 0 CGADLP CC(C)CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccoc1 ZINC000629542762 350708428 /nfs/dbraw/zinc/70/84/28/350708428.db2.gz LCSJXZJKTBOLNS-IMJJTQAJSA-N 2 2 264.413 3.487 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000629546461 350709307 /nfs/dbraw/zinc/70/93/07/350709307.db2.gz XIKZRYHHKKGKEK-ZLKJLUDKSA-N 2 2 252.789 3.131 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000629544532 350709344 /nfs/dbraw/zinc/70/93/44/350709344.db2.gz AGGBBMVLWSBCHE-ZLKJLUDKSA-N 2 2 297.240 3.240 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)cc(Cl)c1 ZINC000629547727 350710278 /nfs/dbraw/zinc/71/02/78/350710278.db2.gz KEDCVAJLIRMARU-VYUIOLGVSA-N 2 2 273.207 3.394 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000629553151 350712004 /nfs/dbraw/zinc/71/20/04/350712004.db2.gz UXACBJMCWFBNSO-MAUKXSAKSA-N 2 2 287.451 3.081 20 0 CGADLP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000629553151 350712007 /nfs/dbraw/zinc/71/20/07/350712007.db2.gz UXACBJMCWFBNSO-MAUKXSAKSA-N 2 2 287.451 3.081 20 0 CGADLP CNc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)c[nH+]1 ZINC000629702944 350744958 /nfs/dbraw/zinc/74/49/58/350744958.db2.gz XNRZUVKVTBVWOJ-CQSZACIVSA-N 2 2 281.403 3.197 20 0 CGADLP CNc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)c[nH+]1 ZINC000629702944 350744960 /nfs/dbraw/zinc/74/49/60/350744960.db2.gz XNRZUVKVTBVWOJ-CQSZACIVSA-N 2 2 281.403 3.197 20 0 CGADLP CC(C)c1[nH+]cc(-c2ccc(Cn3cc[nH+]c3)cc2)n1C ZINC000630052709 350802419 /nfs/dbraw/zinc/80/24/19/350802419.db2.gz IULBHGLPEMCRNI-UHFFFAOYSA-N 2 2 280.375 3.455 20 0 CGADLP Cc1[nH+]ccn1CCCNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631125814 350963545 /nfs/dbraw/zinc/96/35/45/350963545.db2.gz GYEPMKISHTUQBC-UHFFFAOYSA-N 2 2 298.394 3.040 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000631155252 350972320 /nfs/dbraw/zinc/97/23/20/350972320.db2.gz CLOBLRHPJIOHJC-AATRIKPKSA-N 2 2 283.419 3.191 20 0 CGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC34CC4)c[nH+]c12 ZINC000631190728 350984538 /nfs/dbraw/zinc/98/45/38/350984538.db2.gz BCWONEFNILTOAG-CQSZACIVSA-N 2 2 255.365 3.065 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260338 351009917 /nfs/dbraw/zinc/00/99/17/351009917.db2.gz NCEXTEFXDMUORH-MYPMTAMASA-N 2 2 298.352 3.047 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260338 351009920 /nfs/dbraw/zinc/00/99/20/351009920.db2.gz NCEXTEFXDMUORH-MYPMTAMASA-N 2 2 298.352 3.047 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261340 351010808 /nfs/dbraw/zinc/01/08/08/351010808.db2.gz WZLRXUAOEQWRBY-ZGKBOVNRSA-N 2 2 298.352 3.362 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261340 351010811 /nfs/dbraw/zinc/01/08/11/351010811.db2.gz WZLRXUAOEQWRBY-ZGKBOVNRSA-N 2 2 298.352 3.362 20 0 CGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261339 351010879 /nfs/dbraw/zinc/01/08/79/351010879.db2.gz WZLRXUAOEQWRBY-SPWCGHHHSA-N 2 2 298.352 3.362 20 0 CGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631261339 351010882 /nfs/dbraw/zinc/01/08/82/351010882.db2.gz WZLRXUAOEQWRBY-SPWCGHHHSA-N 2 2 298.352 3.362 20 0 CGADLP Fc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC000631889369 351152939 /nfs/dbraw/zinc/15/29/39/351152939.db2.gz FAEHEZLJOHECHU-IUODEOHRSA-N 2 2 282.790 3.053 20 0 CGADLP Fc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1Cl ZINC000631889369 351152942 /nfs/dbraw/zinc/15/29/42/351152942.db2.gz FAEHEZLJOHECHU-IUODEOHRSA-N 2 2 282.790 3.053 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000634678922 351564635 /nfs/dbraw/zinc/56/46/35/351564635.db2.gz HGUZAJJLFFDABE-DLBZAZTESA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952494 351608802 /nfs/dbraw/zinc/60/88/02/351608802.db2.gz ANQIAYMDXHRXTD-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccon2)C1 ZINC000634952494 351608805 /nfs/dbraw/zinc/60/88/05/351608805.db2.gz ANQIAYMDXHRXTD-OAHLLOKOSA-N 2 2 299.418 3.196 20 0 CGADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)s1 ZINC000635011445 351629445 /nfs/dbraw/zinc/62/94/45/351629445.db2.gz NXGMYNQDHCLTMZ-MFKMUULPSA-N 2 2 281.469 3.189 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2)CC[N@@H+]1C ZINC000123171523 187075735 /nfs/dbraw/zinc/07/57/35/187075735.db2.gz AJRBQIMUJGXPCD-WNEOQSQQSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccccc2)CC[N@H+]1C ZINC000123171523 187075736 /nfs/dbraw/zinc/07/57/36/187075736.db2.gz AJRBQIMUJGXPCD-WNEOQSQQSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171523 187075737 /nfs/dbraw/zinc/07/57/37/187075737.db2.gz AJRBQIMUJGXPCD-WNEOQSQQSA-N 2 2 258.409 3.114 20 0 CGADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2)CC[NH+]1C ZINC000123171523 187075738 /nfs/dbraw/zinc/07/57/38/187075738.db2.gz AJRBQIMUJGXPCD-WNEOQSQQSA-N 2 2 258.409 3.114 20 0 CGADLP COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123999496 187118409 /nfs/dbraw/zinc/11/84/09/187118409.db2.gz BBMXLCKBCBDZKB-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123999496 187118410 /nfs/dbraw/zinc/11/84/10/187118410.db2.gz BBMXLCKBCBDZKB-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123999496 187118411 /nfs/dbraw/zinc/11/84/11/187118411.db2.gz BBMXLCKBCBDZKB-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP COc1ccc(Cl)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123999496 187118412 /nfs/dbraw/zinc/11/84/12/187118412.db2.gz BBMXLCKBCBDZKB-IUODEOHRSA-N 2 2 296.842 3.263 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124312641 187131710 /nfs/dbraw/zinc/13/17/10/187131710.db2.gz GAQZEKQTGPVSMZ-ZDUSSCGKSA-N 2 2 290.411 3.252 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124312641 187131711 /nfs/dbraw/zinc/13/17/11/187131711.db2.gz GAQZEKQTGPVSMZ-ZDUSSCGKSA-N 2 2 290.411 3.252 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000271548240 191206032 /nfs/dbraw/zinc/20/60/32/191206032.db2.gz UNZHTGZSPOBXKI-QGZVFWFLSA-N 2 2 282.387 3.436 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367584896 234228995 /nfs/dbraw/zinc/22/89/95/234228995.db2.gz BMGPTZCBUKZIOA-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000367584896 234228999 /nfs/dbraw/zinc/22/89/99/234228999.db2.gz BMGPTZCBUKZIOA-QGZVFWFLSA-N 2 2 269.392 3.419 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000368088848 234279362 /nfs/dbraw/zinc/27/93/62/234279362.db2.gz IIDBOTSTTLIIDY-GVDBMIGSSA-N 2 2 295.430 3.268 20 0 CGADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CC2 ZINC000368088848 234279366 /nfs/dbraw/zinc/27/93/66/234279366.db2.gz IIDBOTSTTLIIDY-GVDBMIGSSA-N 2 2 295.430 3.268 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368105160 234284707 /nfs/dbraw/zinc/28/47/07/234284707.db2.gz OQQZJEYWKNJGOV-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP Cc1ccc(C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C2CC2)cc1 ZINC000368105160 234284709 /nfs/dbraw/zinc/28/47/09/234284709.db2.gz OQQZJEYWKNJGOV-WMZOPIPTSA-N 2 2 295.430 3.186 20 0 CGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NCc3[nH]cc[nH+]3)cc2)C1 ZINC000156100683 188243439 /nfs/dbraw/zinc/24/34/39/188243439.db2.gz KKQYQGRSQMQPNZ-CQSZACIVSA-N 2 2 284.407 3.254 20 0 CGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3[nH]cc[nH+]3)cc2)C1 ZINC000156100683 188243441 /nfs/dbraw/zinc/24/34/41/188243441.db2.gz KKQYQGRSQMQPNZ-CQSZACIVSA-N 2 2 284.407 3.254 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cncc(F)c1 ZINC000156212986 188249948 /nfs/dbraw/zinc/24/99/48/188249948.db2.gz AKXYTHUUQPRZJI-GFCCVEGCSA-N 2 2 298.365 3.380 20 0 CGADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000271902408 191398250 /nfs/dbraw/zinc/39/82/50/191398250.db2.gz HAEBPSVOOXJMIY-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000271902408 191398252 /nfs/dbraw/zinc/39/82/52/191398252.db2.gz HAEBPSVOOXJMIY-UHFFFAOYSA-N 2 2 275.371 3.325 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414182607 235357213 /nfs/dbraw/zinc/35/72/13/235357213.db2.gz LUWUFRXVJBYHBK-MKBNYLNASA-N 2 2 278.827 3.473 20 0 CGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000414182607 235357215 /nfs/dbraw/zinc/35/72/15/235357215.db2.gz LUWUFRXVJBYHBK-MKBNYLNASA-N 2 2 278.827 3.473 20 0 CGADLP COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414193515 235360199 /nfs/dbraw/zinc/36/01/99/235360199.db2.gz IERYAOXOIZVOJI-HUUCEWRRSA-N 2 2 287.407 3.196 20 0 CGADLP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000091264060 138344003 /nfs/dbraw/zinc/34/40/03/138344003.db2.gz MLFGPWUVQDNGOK-MRXNPFEDSA-N 2 2 257.381 3.178 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000119306118 370663866 /nfs/dbraw/zinc/66/38/66/370663866.db2.gz UYHQMUZTWMWGIW-LYAPFXNSSA-N 2 2 270.420 3.147 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123657112 138369251 /nfs/dbraw/zinc/36/92/51/138369251.db2.gz JWZYJTYTWBXKIP-OAHLLOKOSA-N 2 2 287.382 3.014 20 0 CGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000123657112 138369252 /nfs/dbraw/zinc/36/92/52/138369252.db2.gz JWZYJTYTWBXKIP-OAHLLOKOSA-N 2 2 287.382 3.014 20 0 CGADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000119306118 370663876 /nfs/dbraw/zinc/66/38/76/370663876.db2.gz UYHQMUZTWMWGIW-LYAPFXNSSA-N 2 2 270.420 3.147 20 0 CGADLP CC1CC[NH+](CCCCNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110213877 138362941 /nfs/dbraw/zinc/36/29/41/138362941.db2.gz HTYBVWQGMMWAKH-UHFFFAOYSA-N 2 2 288.439 3.278 20 0 CGADLP Clc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000336313763 213155432 /nfs/dbraw/zinc/15/54/32/213155432.db2.gz DOVGMSRFDOHJQM-NSHDSACASA-N 2 2 296.201 3.295 20 0 CGADLP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1F ZINC000423236009 236005427 /nfs/dbraw/zinc/00/54/27/236005427.db2.gz HBUUNAOPOGAAEL-LRDDRELGSA-N 2 2 288.366 3.185 20 0 CGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423240903 236006393 /nfs/dbraw/zinc/00/63/93/236006393.db2.gz UHNWXYXULYRZNO-OALUTQOASA-N 2 2 280.415 3.426 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)c1ccccc1 ZINC000423254183 236009650 /nfs/dbraw/zinc/00/96/50/236009650.db2.gz XLDHCWNOQUGMSP-QZTJIDSGSA-N 2 2 281.403 3.212 20 0 CGADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000423253598 236010028 /nfs/dbraw/zinc/01/00/28/236010028.db2.gz ZCDSDALBAJBXNQ-ROUUACIJSA-N 2 2 266.388 3.354 20 0 CGADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423283547 236022237 /nfs/dbraw/zinc/02/22/37/236022237.db2.gz FRABDNPXKXMFRS-JTQLQIEISA-N 2 2 293.411 3.337 20 0 CGADLP Clc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423299442 236029960 /nfs/dbraw/zinc/02/99/60/236029960.db2.gz BQLDTJDIDYRTRP-KRWDZBQOSA-N 2 2 286.806 3.238 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)o1 ZINC000423270854 236016754 /nfs/dbraw/zinc/01/67/54/236016754.db2.gz XDHGBWWEWBOKPN-GXTWGEPZSA-N 2 2 250.386 3.146 20 0 CGADLP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000423312571 236035149 /nfs/dbraw/zinc/03/51/49/236035149.db2.gz DNTIAFRYTQVBKS-MSOLQXFVSA-N 2 2 284.378 3.242 20 0 CGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423397301 236063204 /nfs/dbraw/zinc/06/32/04/236063204.db2.gz UQVSCWJIYUBCKS-DGCLKSJQSA-N 2 2 282.453 3.186 20 0 CGADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423452081 236074260 /nfs/dbraw/zinc/07/42/60/236074260.db2.gz VWWJPMCYKBNGSZ-SRVKXCTJSA-N 2 2 275.421 3.196 20 0 CGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000424367728 236157408 /nfs/dbraw/zinc/15/74/08/236157408.db2.gz NOHMDRWGPDXCFZ-RKDXNWHRSA-N 2 2 279.236 3.414 20 0 CGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000427858660 236349814 /nfs/dbraw/zinc/34/98/14/236349814.db2.gz UFOSCYSOYKXSFA-RCCFBDPRSA-N 2 2 295.430 3.199 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427871147 236351725 /nfs/dbraw/zinc/35/17/25/236351725.db2.gz HYLGMTKDSCSZFY-MCIONIFRSA-N 2 2 261.413 3.002 20 0 CGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000294676425 199129961 /nfs/dbraw/zinc/12/99/61/199129961.db2.gz CWCUGCWTXDEJNO-CYBMUJFWSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000294676425 199129962 /nfs/dbraw/zinc/12/99/62/199129962.db2.gz CWCUGCWTXDEJNO-CYBMUJFWSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294817565 199197684 /nfs/dbraw/zinc/19/76/84/199197684.db2.gz QYPKQZXZAALKTP-HNNXBMFYSA-N 2 2 299.418 3.036 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000480634171 291173384 /nfs/dbraw/zinc/17/33/84/291173384.db2.gz ZULBTOIGENZDKY-VKJFTORMSA-N 2 2 272.436 3.241 20 0 CGADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000480634171 291173386 /nfs/dbraw/zinc/17/33/86/291173386.db2.gz ZULBTOIGENZDKY-VKJFTORMSA-N 2 2 272.436 3.241 20 0 CGADLP Cn1c[nH+]cc1CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000297582327 200233637 /nfs/dbraw/zinc/23/36/37/200233637.db2.gz DOBBNYBCUYOENB-UHFFFAOYSA-N 2 2 299.393 3.281 20 0 CGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)[NH+]2CCCC2)cc1 ZINC000297883471 200298949 /nfs/dbraw/zinc/29/89/49/200298949.db2.gz VENNFLYBAMDZEJ-MAUKXSAKSA-N 2 2 298.434 3.206 20 0 CGADLP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000297909342 200302135 /nfs/dbraw/zinc/30/21/35/200302135.db2.gz WPDZDISJXYEKSM-GOEBONIOSA-N 2 2 298.434 3.047 20 0 CGADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297918322 200304163 /nfs/dbraw/zinc/30/41/63/200304163.db2.gz SVWAGSUQYRZDSI-KRWDZBQOSA-N 2 2 271.408 3.292 20 0 CGADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297918322 200304165 /nfs/dbraw/zinc/30/41/65/200304165.db2.gz SVWAGSUQYRZDSI-KRWDZBQOSA-N 2 2 271.408 3.292 20 0 CGADLP C[N@H+](CCNc1cc[nH+]c2c(Cl)cccc12)C1CC1 ZINC000341843223 216122649 /nfs/dbraw/zinc/12/26/49/216122649.db2.gz MOUHVQKVIJRVHV-UHFFFAOYSA-N 2 2 275.783 3.394 20 0 CGADLP C[N@@H+](CCNc1cc[nH+]c2c(Cl)cccc12)C1CC1 ZINC000341843223 216122653 /nfs/dbraw/zinc/12/26/53/216122653.db2.gz MOUHVQKVIJRVHV-UHFFFAOYSA-N 2 2 275.783 3.394 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023766 189021989 /nfs/dbraw/zinc/02/19/89/189021989.db2.gz RKLGYRJQQMZGHR-GOEBONIOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023766 189021990 /nfs/dbraw/zinc/02/19/90/189021990.db2.gz RKLGYRJQQMZGHR-GOEBONIOSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023751 189021996 /nfs/dbraw/zinc/02/19/96/189021996.db2.gz RKLGYRJQQMZGHR-GDBMZVCRSA-N 2 2 284.407 3.278 20 0 CGADLP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177023751 189021997 /nfs/dbraw/zinc/02/19/97/189021997.db2.gz RKLGYRJQQMZGHR-GDBMZVCRSA-N 2 2 284.407 3.278 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174912 189034405 /nfs/dbraw/zinc/03/44/05/189034405.db2.gz KLORQVYAXOHJMV-DOMZBBRYSA-N 2 2 273.380 3.295 20 0 CGADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177174912 189034406 /nfs/dbraw/zinc/03/44/06/189034406.db2.gz KLORQVYAXOHJMV-DOMZBBRYSA-N 2 2 273.380 3.295 20 0 CGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000178221220 189099115 /nfs/dbraw/zinc/09/91/15/189099115.db2.gz JJHDYOLHZFIEHA-CYBMUJFWSA-N 2 2 298.415 3.357 20 0 CGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccsc1 ZINC000178343793 189108485 /nfs/dbraw/zinc/10/84/85/189108485.db2.gz IEPNXSZGYBLRNH-LBPRGKRZSA-N 2 2 261.394 3.296 20 0 CGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)c2ccccc21 ZINC000422959904 283605695 /nfs/dbraw/zinc/60/56/95/283605695.db2.gz AIJGILXUDBEUIG-BRWVUGGUSA-N 2 2 298.361 3.384 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000179835958 189222952 /nfs/dbraw/zinc/22/29/52/189222952.db2.gz QULCEFZBYWAZNL-ONEGZZNKSA-N 2 2 276.399 3.301 20 0 CGADLP CCCO[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180180140 189241739 /nfs/dbraw/zinc/24/17/39/189241739.db2.gz ZXOTUKOOIYBHGP-INIZCTEOSA-N 2 2 287.407 3.115 20 0 CGADLP CCCO[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180180140 189241740 /nfs/dbraw/zinc/24/17/40/189241740.db2.gz ZXOTUKOOIYBHGP-INIZCTEOSA-N 2 2 287.407 3.115 20 0 CGADLP CCCO[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180180120 189241939 /nfs/dbraw/zinc/24/19/39/189241939.db2.gz ZXOTUKOOIYBHGP-MRXNPFEDSA-N 2 2 287.407 3.115 20 0 CGADLP CCCO[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180180120 189241940 /nfs/dbraw/zinc/24/19/40/189241940.db2.gz ZXOTUKOOIYBHGP-MRXNPFEDSA-N 2 2 287.407 3.115 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180196183 189242665 /nfs/dbraw/zinc/24/26/65/189242665.db2.gz CYQXAZWHPMGLCS-CJNGLKHVSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180196183 189242666 /nfs/dbraw/zinc/24/26/66/189242666.db2.gz CYQXAZWHPMGLCS-CJNGLKHVSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000180196183 189242667 /nfs/dbraw/zinc/24/26/67/189242667.db2.gz CYQXAZWHPMGLCS-CJNGLKHVSA-N 2 2 264.388 3.049 20 0 CGADLP Cc1ccc(F)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000180196183 189242668 /nfs/dbraw/zinc/24/26/68/189242668.db2.gz CYQXAZWHPMGLCS-CJNGLKHVSA-N 2 2 264.388 3.049 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000181150002 189289810 /nfs/dbraw/zinc/28/98/10/189289810.db2.gz QXOOTKWGLMXJPY-IIAWOOMASA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000181150002 189289811 /nfs/dbraw/zinc/28/98/11/189289811.db2.gz QXOOTKWGLMXJPY-IIAWOOMASA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000181150002 189289812 /nfs/dbraw/zinc/28/98/12/189289812.db2.gz QXOOTKWGLMXJPY-IIAWOOMASA-N 2 2 299.418 3.305 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181150002 189289813 /nfs/dbraw/zinc/28/98/13/189289813.db2.gz QXOOTKWGLMXJPY-IIAWOOMASA-N 2 2 299.418 3.305 20 0 CGADLP COC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C(C)C ZINC000443204357 238517392 /nfs/dbraw/zinc/51/73/92/238517392.db2.gz PCLZJPUHOAJAFJ-SZMVWBNQSA-N 2 2 292.467 3.247 20 0 CGADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119612458 370692193 /nfs/dbraw/zinc/69/21/93/370692193.db2.gz GBMTULDKZDOBDR-AEFFLSMTSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000342333932 216314651 /nfs/dbraw/zinc/31/46/51/216314651.db2.gz SDVKPLVDKLDKMX-RISCZKNCSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000342333932 216314654 /nfs/dbraw/zinc/31/46/54/216314654.db2.gz SDVKPLVDKLDKMX-RISCZKNCSA-N 2 2 286.341 3.054 20 0 CGADLP Cc1cc[nH+]c(NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000301630578 201106051 /nfs/dbraw/zinc/10/60/51/201106051.db2.gz IWKCYNKBARCFKZ-UHFFFAOYSA-N 2 2 273.355 3.073 20 0 CGADLP Cc1cc[nH+]c(NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000301630578 201106053 /nfs/dbraw/zinc/10/60/53/201106053.db2.gz IWKCYNKBARCFKZ-UHFFFAOYSA-N 2 2 273.355 3.073 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1 ZINC000342413827 216343656 /nfs/dbraw/zinc/34/36/56/216343656.db2.gz BSRNAOWMJWOUNK-OAHLLOKOSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(F)c1 ZINC000342413827 216343658 /nfs/dbraw/zinc/34/36/58/216343658.db2.gz BSRNAOWMJWOUNK-OAHLLOKOSA-N 2 2 286.394 3.436 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302043271 201317384 /nfs/dbraw/zinc/31/73/84/201317384.db2.gz XBFWIJUZLHSOOJ-AWEZNQCLSA-N 2 2 296.418 3.286 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302043271 201317387 /nfs/dbraw/zinc/31/73/87/201317387.db2.gz XBFWIJUZLHSOOJ-AWEZNQCLSA-N 2 2 296.418 3.286 20 0 CGADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3ccoc31)CCC2 ZINC000449171789 239220687 /nfs/dbraw/zinc/22/06/87/239220687.db2.gz UVEXETMNXKTREO-OAHLLOKOSA-N 2 2 281.359 3.297 20 0 CGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000449218455 239250533 /nfs/dbraw/zinc/25/05/33/239250533.db2.gz IJJVDFQNSUEVHI-CYBMUJFWSA-N 2 2 298.352 3.167 20 0 CGADLP Cc1cccc(CC[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000449223680 239251558 /nfs/dbraw/zinc/25/15/58/239251558.db2.gz YESAQDVSMIXKIH-UHFFFAOYSA-N 2 2 279.387 3.018 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449236312 239261060 /nfs/dbraw/zinc/26/10/60/239261060.db2.gz XQEIGHMXIOQTAA-HSMVNMDESA-N 2 2 282.378 3.141 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cc(F)cc(F)c1 ZINC000449236312 239261068 /nfs/dbraw/zinc/26/10/68/239261068.db2.gz XQEIGHMXIOQTAA-HSMVNMDESA-N 2 2 282.378 3.141 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CCCCC1 ZINC000449393441 239381268 /nfs/dbraw/zinc/38/12/68/239381268.db2.gz CBMNTCSHUFWTRV-BQFCYCMXSA-N 2 2 296.499 3.028 20 0 CGADLP C[C@@H]([C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CCCCC1 ZINC000449393441 239381275 /nfs/dbraw/zinc/38/12/75/239381275.db2.gz CBMNTCSHUFWTRV-BQFCYCMXSA-N 2 2 296.499 3.028 20 0 CGADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000120229992 370750312 /nfs/dbraw/zinc/75/03/12/370750312.db2.gz ZYFGTGFIVCMTLZ-UHFFFAOYSA-N 2 2 298.365 3.405 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)ccc2n1 ZINC000275553792 193073639 /nfs/dbraw/zinc/07/36/39/193073639.db2.gz CQXGRWNRWBXRQM-YJYMSZOUSA-N 2 2 295.430 3.116 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)ccc2n1 ZINC000275553792 193073641 /nfs/dbraw/zinc/07/36/41/193073641.db2.gz CQXGRWNRWBXRQM-YJYMSZOUSA-N 2 2 295.430 3.116 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275624841 193089112 /nfs/dbraw/zinc/08/91/12/193089112.db2.gz INDCQPAYQBSMPC-OIISXLGYSA-N 2 2 269.392 3.198 20 0 CGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275624836 193089341 /nfs/dbraw/zinc/08/93/41/193089341.db2.gz INDCQPAYQBSMPC-HYVNUMGLSA-N 2 2 269.392 3.198 20 0 CGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000459290192 242054706 /nfs/dbraw/zinc/05/47/06/242054706.db2.gz BRKOKILSYLZTDZ-MRXNPFEDSA-N 2 2 289.810 3.453 20 0 CGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000459290192 242054713 /nfs/dbraw/zinc/05/47/13/242054713.db2.gz BRKOKILSYLZTDZ-MRXNPFEDSA-N 2 2 289.810 3.453 20 0 CGADLP CCC[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000459654409 242164220 /nfs/dbraw/zinc/16/42/20/242164220.db2.gz FMTDUARTSAEIRG-INIZCTEOSA-N 2 2 271.408 3.136 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@H]3CC(C)C)n2c1 ZINC000459654870 242165593 /nfs/dbraw/zinc/16/55/93/242165593.db2.gz GQWVAYSEBXUJFD-UKRRQHHQSA-N 2 2 257.381 3.167 20 0 CGADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000459662083 242166966 /nfs/dbraw/zinc/16/69/66/242166966.db2.gz NBEGNROUWVJXKD-MSOLQXFVSA-N 2 2 283.419 3.197 20 0 CGADLP Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)[nH+]1 ZINC000121592456 370877321 /nfs/dbraw/zinc/87/73/21/370877321.db2.gz QOFMLEMEAKAHHH-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1nccc2ccccc21 ZINC000335496866 212176999 /nfs/dbraw/zinc/17/69/99/212176999.db2.gz SUFJGKPXTZKGRQ-UKRRQHHQSA-N 2 2 269.392 3.028 20 0 CGADLP CCc1ccc([C@H](C[NH2+][C@H](C)C(C)C)[NH+](C)C)cc1 ZINC000479851772 243128249 /nfs/dbraw/zinc/12/82/49/243128249.db2.gz NVNVWDKYBBNRKF-PBHICJAKSA-N 2 2 262.441 3.486 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000486979854 243390623 /nfs/dbraw/zinc/39/06/23/243390623.db2.gz KFQFXTBZYRENJH-PBHICJAKSA-N 2 2 283.419 3.456 20 0 CGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488426389 243556892 /nfs/dbraw/zinc/55/68/92/243556892.db2.gz IGSMBRMZHWVDJD-KFWWJZLASA-N 2 2 284.513 3.371 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000125308958 370934439 /nfs/dbraw/zinc/93/44/39/370934439.db2.gz CJKDSTCTFGVSHR-CRAIPNDOSA-N 2 2 299.418 3.044 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000125308958 370934445 /nfs/dbraw/zinc/93/44/45/370934445.db2.gz CJKDSTCTFGVSHR-CRAIPNDOSA-N 2 2 299.418 3.044 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000022935945 368814199 /nfs/dbraw/zinc/81/41/99/368814199.db2.gz YQRGAQJQKRIXKW-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000022935945 368814204 /nfs/dbraw/zinc/81/42/04/368814204.db2.gz YQRGAQJQKRIXKW-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000035648204 369002224 /nfs/dbraw/zinc/00/22/24/369002224.db2.gz LTSYYFGGNJGWKS-NVXWUHKLSA-N 2 2 292.467 3.192 20 0 CGADLP CC(C)C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932211 369039895 /nfs/dbraw/zinc/03/98/95/369039895.db2.gz XLHYMAMKUCNVFO-AWEZNQCLSA-N 2 2 261.413 3.075 20 0 CGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157389 369072418 /nfs/dbraw/zinc/07/24/18/369072418.db2.gz YONOTPVYZIWPNP-LSDHHAIUSA-N 2 2 287.407 3.410 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000037158165 369072545 /nfs/dbraw/zinc/07/25/45/369072545.db2.gz MDJTYMYXUNLGIW-NWDGAFQWSA-N 2 2 295.333 3.224 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500471 369156969 /nfs/dbraw/zinc/15/69/69/369156969.db2.gz MJPHUJDJVPCTME-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000040500471 369156971 /nfs/dbraw/zinc/15/69/71/369156971.db2.gz MJPHUJDJVPCTME-FUHWJXTLSA-N 2 2 274.452 3.390 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c[nH+]1 ZINC000041119659 369174195 /nfs/dbraw/zinc/17/41/95/369174195.db2.gz XDMCVWOWTWUSGN-DLBZAZTESA-N 2 2 269.392 3.199 20 0 CGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041119571 369174833 /nfs/dbraw/zinc/17/48/33/369174833.db2.gz FMLFZSVIAPPNLK-CYBMUJFWSA-N 2 2 269.348 3.289 20 0 CGADLP CCCCOCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040506715 369159476 /nfs/dbraw/zinc/15/94/76/369159476.db2.gz UXDIKWIJAUAREE-SFHVURJKSA-N 2 2 290.451 3.057 20 0 CGADLP CCCCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040506715 369159482 /nfs/dbraw/zinc/15/94/82/369159482.db2.gz UXDIKWIJAUAREE-SFHVURJKSA-N 2 2 290.451 3.057 20 0 CGADLP CC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000040771443 369162920 /nfs/dbraw/zinc/16/29/20/369162920.db2.gz KGTZEXFDBSGGTG-KRWDZBQOSA-N 2 2 260.425 3.459 20 0 CGADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000042858639 369235803 /nfs/dbraw/zinc/23/58/03/369235803.db2.gz UFYZIWAQULLRAN-HOTGVXAUSA-N 2 2 287.451 3.466 20 0 CGADLP c1ccc2cc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000044683808 369265370 /nfs/dbraw/zinc/26/53/70/369265370.db2.gz WAVDHFZUOSRGPF-KRWDZBQOSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2cc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000044683808 369265374 /nfs/dbraw/zinc/26/53/74/369265374.db2.gz WAVDHFZUOSRGPF-KRWDZBQOSA-N 2 2 266.388 3.166 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685083 369265731 /nfs/dbraw/zinc/26/57/31/369265731.db2.gz XWKNWYIQHPXYLN-CJNGLKHVSA-N 2 2 258.409 3.136 20 0 CGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685083 369265736 /nfs/dbraw/zinc/26/57/36/369265736.db2.gz XWKNWYIQHPXYLN-CJNGLKHVSA-N 2 2 258.409 3.136 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685234 369267125 /nfs/dbraw/zinc/26/71/25/369267125.db2.gz WKHUKVHKUFWVTD-ZYHUDNBSSA-N 2 2 282.790 3.366 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Cl)c1 ZINC000044685234 369267130 /nfs/dbraw/zinc/26/71/30/369267130.db2.gz WKHUKVHKUFWVTD-ZYHUDNBSSA-N 2 2 282.790 3.366 20 0 CGADLP CCCC[NH+]1CCC([NH2+]Cc2nc(CCC)cs2)CC1 ZINC000494316875 244282131 /nfs/dbraw/zinc/28/21/31/244282131.db2.gz WKUPRKFRIJDTFO-UHFFFAOYSA-N 2 2 295.496 3.450 20 0 CGADLP Cc1cc2[nH]c(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2c(C)c1 ZINC000494403751 244286474 /nfs/dbraw/zinc/28/64/74/244286474.db2.gz IKZRLFDBEGPPIM-AWEZNQCLSA-N 2 2 294.402 3.086 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc3ccccc31)CC2 ZINC000494430287 244287479 /nfs/dbraw/zinc/28/74/79/244287479.db2.gz YPFNZNOLSPZJNX-INIZCTEOSA-N 2 2 277.371 3.141 20 0 CGADLP C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045116745 369276553 /nfs/dbraw/zinc/27/65/53/369276553.db2.gz REMKYYVDBDUDJD-SWLSCSKDSA-N 2 2 255.365 3.321 20 0 CGADLP CCc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000051724517 369453754 /nfs/dbraw/zinc/45/37/54/369453754.db2.gz JDWBYVFXGRIFRQ-UHFFFAOYSA-N 2 2 264.413 3.195 20 0 CGADLP CC1CCC([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000053345086 369482091 /nfs/dbraw/zinc/48/20/91/369482091.db2.gz AUSFPXWHXUTUAP-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP CC1CCC([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000053345086 369482095 /nfs/dbraw/zinc/48/20/95/369482095.db2.gz AUSFPXWHXUTUAP-UHFFFAOYSA-N 2 2 260.425 3.287 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C[N@@H+]1C1CC1 ZINC000129032191 370971494 /nfs/dbraw/zinc/97/14/94/370971494.db2.gz SZCKZOVPUIAKRF-XJKCOSOUSA-N 2 2 288.460 3.438 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C[N@H+]1C1CC1 ZINC000129032191 370971501 /nfs/dbraw/zinc/97/15/01/370971501.db2.gz SZCKZOVPUIAKRF-XJKCOSOUSA-N 2 2 288.460 3.438 20 0 CGADLP Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000058003250 369553738 /nfs/dbraw/zinc/55/37/38/369553738.db2.gz DTDMXLYQFKLOLL-CYBMUJFWSA-N 2 2 276.428 3.052 20 0 CGADLP C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000059313239 369580898 /nfs/dbraw/zinc/58/08/98/369580898.db2.gz FHZBVCJZBMNHFF-LLVKDONJSA-N 2 2 283.297 3.475 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000276448943 193335505 /nfs/dbraw/zinc/33/55/05/193335505.db2.gz MRBOVCJLCIEHMO-MRXNPFEDSA-N 2 2 284.407 3.273 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000276448943 193335507 /nfs/dbraw/zinc/33/55/07/193335507.db2.gz MRBOVCJLCIEHMO-MRXNPFEDSA-N 2 2 284.407 3.273 20 0 CGADLP CC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccccn1 ZINC000276437761 193331277 /nfs/dbraw/zinc/33/12/77/193331277.db2.gz KUXKVVLRJRBFJQ-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccccn1 ZINC000276437761 193331279 /nfs/dbraw/zinc/33/12/79/193331279.db2.gz KUXKVVLRJRBFJQ-UHFFFAOYSA-N 2 2 269.392 3.240 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000068691219 369746464 /nfs/dbraw/zinc/74/64/64/369746464.db2.gz YNDBAGCXCQFWRF-RYUDHWBXSA-N 2 2 286.404 3.232 20 0 CGADLP CSCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000070185867 369787747 /nfs/dbraw/zinc/78/77/47/369787747.db2.gz HBFCVLVLQRMOPZ-ZDUSSCGKSA-N 2 2 275.421 3.276 20 0 CGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000089615210 370044976 /nfs/dbraw/zinc/04/49/76/370044976.db2.gz HICCKBYPZQLWQF-HKUYNNGSSA-N 2 2 295.430 3.245 20 0 CGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000089615210 370044980 /nfs/dbraw/zinc/04/49/80/370044980.db2.gz HICCKBYPZQLWQF-HKUYNNGSSA-N 2 2 295.430 3.245 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094266983 370166859 /nfs/dbraw/zinc/16/68/59/370166859.db2.gz ULUFPOQKIRUARQ-VXGBXAGGSA-N 2 2 285.313 3.139 20 0 CGADLP FC(F)(F)c1cc[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000094266983 370166864 /nfs/dbraw/zinc/16/68/64/370166864.db2.gz ULUFPOQKIRUARQ-VXGBXAGGSA-N 2 2 285.313 3.139 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000093645010 370152809 /nfs/dbraw/zinc/15/28/09/370152809.db2.gz FKFYNUSGCUROAN-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000093645010 370152814 /nfs/dbraw/zinc/15/28/14/370152814.db2.gz FKFYNUSGCUROAN-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645010 370152819 /nfs/dbraw/zinc/15/28/19/370152819.db2.gz FKFYNUSGCUROAN-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000093645010 370152823 /nfs/dbraw/zinc/15/28/23/370152823.db2.gz FKFYNUSGCUROAN-WCQYABFASA-N 2 2 284.806 3.394 20 0 CGADLP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111707 370368883 /nfs/dbraw/zinc/36/88/83/370368883.db2.gz XEEHOCINTOGGNX-ZDUSSCGKSA-N 2 2 276.428 3.276 20 0 CGADLP CCC(CC)[C@@H](CNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000110127275 370370563 /nfs/dbraw/zinc/37/05/63/370370563.db2.gz VOMWYUOKRBLGNX-CQSZACIVSA-N 2 2 276.428 3.132 20 0 CGADLP Cc1cccc(NC[C@@H](c2cccs2)[NH+](C)C)[nH+]1 ZINC000114183505 370492564 /nfs/dbraw/zinc/49/25/64/370492564.db2.gz WDEANOVODMLEIF-LBPRGKRZSA-N 2 2 261.394 3.166 20 0 CGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130548786 371042645 /nfs/dbraw/zinc/04/26/45/371042645.db2.gz JXVZPNLXEWOTOW-KRWDZBQOSA-N 2 2 295.361 3.293 20 0 CGADLP CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131943533 371142115 /nfs/dbraw/zinc/14/21/15/371142115.db2.gz TUHJCQABUCODSY-QGZVFWFLSA-N 2 2 298.386 3.134 20 0 CGADLP CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131943533 371142118 /nfs/dbraw/zinc/14/21/18/371142118.db2.gz TUHJCQABUCODSY-QGZVFWFLSA-N 2 2 298.386 3.134 20 0 CGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccco1 ZINC000132268227 371161983 /nfs/dbraw/zinc/16/19/83/371161983.db2.gz MQSAXIKRMZGJIH-OAHLLOKOSA-N 2 2 295.386 3.418 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000234054215 189821115 /nfs/dbraw/zinc/82/11/15/189821115.db2.gz VLDHRBKFAQHCJE-KGLIPLIRSA-N 2 2 252.789 3.133 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000133019987 371220729 /nfs/dbraw/zinc/22/07/29/371220729.db2.gz OSEFMZFSFMWUEC-GFCCVEGCSA-N 2 2 266.454 3.229 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000133019987 371220735 /nfs/dbraw/zinc/22/07/35/371220735.db2.gz OSEFMZFSFMWUEC-GFCCVEGCSA-N 2 2 266.454 3.229 20 0 CGADLP c1coc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000133687966 371271834 /nfs/dbraw/zinc/27/18/34/371271834.db2.gz KKPPHCDWUKVSOE-NVXWUHKLSA-N 2 2 270.376 3.101 20 0 CGADLP COc1cccc(F)c1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135098521 371389984 /nfs/dbraw/zinc/38/99/84/371389984.db2.gz DQBJIZDASPHJOI-LBPRGKRZSA-N 2 2 292.398 3.112 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000135296762 371412444 /nfs/dbraw/zinc/41/24/44/371412444.db2.gz KWILTGZEAWWPKI-LBPRGKRZSA-N 2 2 277.437 3.102 20 0 CGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000135296762 371412446 /nfs/dbraw/zinc/41/24/46/371412446.db2.gz KWILTGZEAWWPKI-LBPRGKRZSA-N 2 2 277.437 3.102 20 0 CGADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000287040822 371595091 /nfs/dbraw/zinc/59/50/91/371595091.db2.gz SWIVDFYBWLWFSU-CQSZACIVSA-N 2 2 275.421 3.418 20 0 CGADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000287040822 371595094 /nfs/dbraw/zinc/59/50/94/371595094.db2.gz SWIVDFYBWLWFSU-CQSZACIVSA-N 2 2 275.421 3.418 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1Cl ZINC000421853699 371675523 /nfs/dbraw/zinc/67/55/23/371675523.db2.gz JNFVKPAMUAQPEU-ODWCKFRGSA-N 2 2 279.815 3.011 20 0 CGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1Cl ZINC000421853699 371675529 /nfs/dbraw/zinc/67/55/29/371675529.db2.gz JNFVKPAMUAQPEU-ODWCKFRGSA-N 2 2 279.815 3.011 20 0 CGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818226 371640229 /nfs/dbraw/zinc/64/02/29/371640229.db2.gz ZSMKBPICJOPUKR-LBPRGKRZSA-N 2 2 296.842 3.484 20 0 CGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000421821864 371645875 /nfs/dbraw/zinc/64/58/75/371645875.db2.gz UMQOQJAENZHTKR-VXGBXAGGSA-N 2 2 295.789 3.285 20 0 CGADLP COC1([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCCC1 ZINC000421826377 371650159 /nfs/dbraw/zinc/65/01/59/371650159.db2.gz SASIUIINOFJFKD-OAHLLOKOSA-N 2 2 291.439 3.211 20 0 CGADLP CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000153098470 371750112 /nfs/dbraw/zinc/75/01/12/371750112.db2.gz QOOMZNMTUGOTOO-SJLPKXTDSA-N 2 2 290.451 3.086 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422721001 371768007 /nfs/dbraw/zinc/76/80/07/371768007.db2.gz NDEJPEUWSMNHNV-OLZOCXBDSA-N 2 2 291.420 3.153 20 0 CGADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422721354 371768624 /nfs/dbraw/zinc/76/86/24/371768624.db2.gz VDNCQXKEZMJIRT-TZMCWYRMSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cc(F)c(Cl)cc1Cl ZINC000422732164 371772024 /nfs/dbraw/zinc/77/20/24/371772024.db2.gz PHKGTEHLNQGNCX-HTQZYQBOSA-N 2 2 291.197 3.391 20 0 CGADLP COc1ccc([C@@H]([NH2+]C2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422736367 371774953 /nfs/dbraw/zinc/77/49/53/371774953.db2.gz XXCMRANOGBPPLQ-IAGOWNOFSA-N 2 2 274.408 3.021 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000422751726 371784237 /nfs/dbraw/zinc/78/42/37/371784237.db2.gz ABXXVUQIFNBNQS-ONERCXAPSA-N 2 2 268.351 3.146 20 0 CGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)Cn1cc[nH+]c1 ZINC000337329791 214010821 /nfs/dbraw/zinc/01/08/21/214010821.db2.gz FXPMNYINKUYZMQ-NUJGCVRESA-N 2 2 298.434 3.230 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793615 371790173 /nfs/dbraw/zinc/79/01/73/371790173.db2.gz SHRWLTFMVCVRIC-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000153793615 371790177 /nfs/dbraw/zinc/79/01/77/371790177.db2.gz SHRWLTFMVCVRIC-ZFWWWQNUSA-N 2 2 250.430 3.172 20 0 CGADLP CC[C@H]([NH2+]Cc1ccccc1OCC1CC1)[C@@H]1CCC[NH2+]1 ZINC000422768479 371794130 /nfs/dbraw/zinc/79/41/30/371794130.db2.gz NXZSGIAUEHFYRU-IRXDYDNUSA-N 2 2 288.435 3.096 20 0 CGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422775863 371799361 /nfs/dbraw/zinc/79/93/61/371799361.db2.gz BOIRQZKJQRZWBY-KGLIPLIRSA-N 2 2 270.779 3.229 20 0 CGADLP COc1ccc2cc(C[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422799679 371818520 /nfs/dbraw/zinc/81/85/20/371818520.db2.gz XZPOLIRUUZUAPA-KUHUBIRLSA-N 2 2 298.430 3.469 20 0 CGADLP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Oc1ccccc1F ZINC000422814817 371826395 /nfs/dbraw/zinc/82/63/95/371826395.db2.gz AGNLVZQJGMQULQ-OFQRWUPVSA-N 2 2 294.414 3.103 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621742 371862874 /nfs/dbraw/zinc/86/28/74/371862874.db2.gz LZBZKXLXJXPNDP-UKRRQHHQSA-N 2 2 298.377 3.423 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OC(F)F)cc1 ZINC000154621742 371862877 /nfs/dbraw/zinc/86/28/77/371862877.db2.gz LZBZKXLXJXPNDP-UKRRQHHQSA-N 2 2 298.377 3.423 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000422909218 371863301 /nfs/dbraw/zinc/86/33/01/371863301.db2.gz FIVAKQOOXTUFSE-LERXQTSPSA-N 2 2 280.412 3.093 20 0 CGADLP CC(C)c1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cs1 ZINC000422912754 371866345 /nfs/dbraw/zinc/86/63/45/371866345.db2.gz NYILYDOARYCUJD-FRRDWIJNSA-N 2 2 281.469 3.305 20 0 CGADLP C[C@@H]([NH2+]CCc1cc2ccccc2o1)[C@@H]1CCCC[NH2+]1 ZINC000422921687 371871281 /nfs/dbraw/zinc/87/12/81/371871281.db2.gz OTHYDXORFIXYDT-CJNGLKHVSA-N 2 2 272.392 3.096 20 0 CGADLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000422946945 371886369 /nfs/dbraw/zinc/88/63/69/371886369.db2.gz XJJNPELYEYEVHV-HOTGVXAUSA-N 2 2 286.350 3.069 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290005547 371876527 /nfs/dbraw/zinc/87/65/27/371876527.db2.gz LMQKDUXWJKLZDW-HZPDHXFCSA-N 2 2 283.419 3.149 20 0 CGADLP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290005547 371876531 /nfs/dbraw/zinc/87/65/31/371876531.db2.gz LMQKDUXWJKLZDW-HZPDHXFCSA-N 2 2 283.419 3.149 20 0 CGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422936955 371880264 /nfs/dbraw/zinc/88/02/64/371880264.db2.gz NIYGCSICDJLDSZ-MSOLQXFVSA-N 2 2 296.414 3.235 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)[C@@H]1CCC[NH2+]1 ZINC000422846565 371839025 /nfs/dbraw/zinc/83/90/25/371839025.db2.gz QCYYUCXGHZOXEI-DDTOSNHZSA-N 2 2 280.412 3.093 20 0 CGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423050869 371935600 /nfs/dbraw/zinc/93/56/00/371935600.db2.gz MXZHAEXJRFEMEN-INWMFGNUSA-N 2 2 292.398 3.160 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000155678090 371938481 /nfs/dbraw/zinc/93/84/81/371938481.db2.gz FMPCSKDXQSCHPH-HNNXBMFYSA-N 2 2 292.386 3.296 20 0 CGADLP COc1cc(C)ccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000290234035 371941946 /nfs/dbraw/zinc/94/19/46/371941946.db2.gz GBNUJEVVIROVIO-UHFFFAOYSA-N 2 2 284.403 3.429 20 0 CGADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(OC)c1 ZINC000290118206 371909635 /nfs/dbraw/zinc/90/96/35/371909635.db2.gz TZMPYBWVQWMHBN-CQSZACIVSA-N 2 2 287.407 3.054 20 0 CGADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(OC)c1 ZINC000290118206 371909643 /nfs/dbraw/zinc/90/96/43/371909643.db2.gz TZMPYBWVQWMHBN-CQSZACIVSA-N 2 2 287.407 3.054 20 0 CGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423003215 371910776 /nfs/dbraw/zinc/91/07/76/371910776.db2.gz LBRNIOPDOFOQNW-OTWHNJEPSA-N 2 2 296.414 3.017 20 0 CGADLP COc1ccc([C@H]([NH2+]CC=C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423064646 371944021 /nfs/dbraw/zinc/94/40/21/371944021.db2.gz ADTQWJDFEBCUJY-IRXDYDNUSA-N 2 2 274.408 3.044 20 0 CGADLP CC[C@H](CSC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290202200 371933573 /nfs/dbraw/zinc/93/35/73/371933573.db2.gz DDIISTPFUDNUKO-CQSZACIVSA-N 2 2 252.427 3.054 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)c1nccs1 ZINC000290305613 371960718 /nfs/dbraw/zinc/96/07/18/371960718.db2.gz IHBWQPGBOUKUBU-UHFFFAOYSA-N 2 2 275.421 3.304 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000423111487 371971360 /nfs/dbraw/zinc/97/13/60/371971360.db2.gz WBNPWZUKDQHJAU-WFASDCNBSA-N 2 2 296.842 3.359 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000290434571 371987775 /nfs/dbraw/zinc/98/77/75/371987775.db2.gz RWRMMKUMZDPURX-KRWDZBQOSA-N 3 2 291.483 3.279 20 0 CGADLP COc1ccc([C@@H]([NH2+]CCC(C)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423143407 371989029 /nfs/dbraw/zinc/98/90/29/371989029.db2.gz CZINEXUTLAJWGA-LSDHHAIUSA-N 2 2 298.377 3.123 20 0 CGADLP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423187743 372014710 /nfs/dbraw/zinc/01/47/10/372014710.db2.gz PJZNQHWHEJPEIQ-AWEZNQCLSA-N 2 2 280.824 3.234 20 0 CGADLP [NH3+]CC[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423187744 372015304 /nfs/dbraw/zinc/01/53/04/372015304.db2.gz PJZNQHWHEJPEIQ-CQSZACIVSA-N 2 2 280.824 3.234 20 0 CGADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423194143 372019513 /nfs/dbraw/zinc/01/95/13/372019513.db2.gz WNSHGLAVUCCNKA-CYBMUJFWSA-N 2 2 256.349 3.088 20 0 CGADLP C[NH2+]CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423197810 372020715 /nfs/dbraw/zinc/02/07/15/372020715.db2.gz BHWYJRSLAPALGM-LBPRGKRZSA-N 2 2 275.421 3.070 20 0 CGADLP C[C@@H](Cc1ccccc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000157476984 372024459 /nfs/dbraw/zinc/02/44/59/372024459.db2.gz JEXBVHAJTLFBKE-AWEZNQCLSA-N 2 2 275.371 3.023 20 0 CGADLP [NH3+]C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C1CC1 ZINC000423272341 372045499 /nfs/dbraw/zinc/04/54/99/372045499.db2.gz HVSYQELGDZGIHT-STQMWFEESA-N 2 2 282.840 3.204 20 0 CGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000157074669 372006355 /nfs/dbraw/zinc/00/63/55/372006355.db2.gz LYYNKHKOAYUDOT-UHFFFAOYSA-N 2 2 261.413 3.028 20 0 CGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000157074669 372006364 /nfs/dbraw/zinc/00/63/64/372006364.db2.gz LYYNKHKOAYUDOT-UHFFFAOYSA-N 2 2 261.413 3.028 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672202 541867622 /nfs/dbraw/zinc/86/76/22/541867622.db2.gz XAKKDOQFWXIGGH-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672202 541867623 /nfs/dbraw/zinc/86/76/23/541867623.db2.gz XAKKDOQFWXIGGH-HOCLYGCPSA-N 2 2 276.424 3.220 20 0 CGADLP Cc1ccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427869459 372176918 /nfs/dbraw/zinc/17/69/18/372176918.db2.gz SDOBUIXVSQRHSH-ZWKOTPCHSA-N 2 2 295.430 3.117 20 0 CGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCCc3ccccc31)CC2 ZINC000427875938 372177157 /nfs/dbraw/zinc/17/71/57/372177157.db2.gz LLVZTYHQZPKKQC-RDJZCZTQSA-N 2 2 281.403 3.255 20 0 CGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427879874 372177456 /nfs/dbraw/zinc/17/74/56/372177456.db2.gz UTTMXQMFSVRBIW-XHSDSOJGSA-N 2 2 275.440 3.392 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672011 541868065 /nfs/dbraw/zinc/86/80/65/541868065.db2.gz FAZMAGZNJQNZRU-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000040672011 541868069 /nfs/dbraw/zinc/86/80/69/541868069.db2.gz FAZMAGZNJQNZRU-FZMZJTMJSA-N 2 2 286.341 3.450 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000344295515 217138217 /nfs/dbraw/zinc/13/82/17/217138217.db2.gz TYTPOSLVESUROJ-DLBZAZTESA-N 2 2 290.451 3.362 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000431174205 372441416 /nfs/dbraw/zinc/44/14/16/372441416.db2.gz AAUGPUOYOJFXRO-WMZOPIPTSA-N 2 2 298.361 3.361 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000431174205 372441420 /nfs/dbraw/zinc/44/14/20/372441420.db2.gz AAUGPUOYOJFXRO-WMZOPIPTSA-N 2 2 298.361 3.361 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+](Cc2ccccc2)C1 ZINC000344459846 217198767 /nfs/dbraw/zinc/19/87/67/217198767.db2.gz ICXCQZZYGUYTIC-WMZOPIPTSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+](Cc2ccccc2)C1 ZINC000344459846 217198769 /nfs/dbraw/zinc/19/87/69/217198769.db2.gz ICXCQZZYGUYTIC-WMZOPIPTSA-N 2 2 298.430 3.322 20 0 CGADLP c1cn(CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000165950859 372559622 /nfs/dbraw/zinc/55/96/22/372559622.db2.gz IWTIHHRLOMZRAF-AEFFLSMTSA-N 2 2 299.418 3.031 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469543 217202577 /nfs/dbraw/zinc/20/25/77/217202577.db2.gz GNRKZLIYDINDHI-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2)C1 ZINC000344469543 217202579 /nfs/dbraw/zinc/20/25/79/217202579.db2.gz GNRKZLIYDINDHI-HNAYVOBHSA-N 2 2 295.430 3.178 20 0 CGADLP CC1(C)CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295110835 372692228 /nfs/dbraw/zinc/69/22/28/372692228.db2.gz XHTXHNMAJNCXLR-HNNXBMFYSA-N 2 2 287.451 3.466 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000295352044 372747651 /nfs/dbraw/zinc/74/76/51/372747651.db2.gz IRYPDOKHZPHWGW-WBOJAVRRSA-N 2 2 285.391 3.089 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000438185853 372907302 /nfs/dbraw/zinc/90/73/02/372907302.db2.gz FKNCDXCYHJIMKQ-AOIWGVFYSA-N 2 2 284.447 3.323 20 0 CGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000438185853 372907310 /nfs/dbraw/zinc/90/73/10/372907310.db2.gz FKNCDXCYHJIMKQ-AOIWGVFYSA-N 2 2 284.447 3.323 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000438193006 372910164 /nfs/dbraw/zinc/91/01/64/372910164.db2.gz RYUZOHFEWHZBSK-ZBFHGGJFSA-N 2 2 278.415 3.221 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1F ZINC000438193006 372910169 /nfs/dbraw/zinc/91/01/69/372910169.db2.gz RYUZOHFEWHZBSK-ZBFHGGJFSA-N 2 2 278.415 3.221 20 0 CGADLP C[N@H+](CC[NH2+][C@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000353501078 220120019 /nfs/dbraw/zinc/12/00/19/220120019.db2.gz HSYZQPUAQXHSQM-IRXDYDNUSA-N 2 2 278.415 3.236 20 0 CGADLP C[N@@H+](CC[NH2+][C@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000353501078 220120023 /nfs/dbraw/zinc/12/00/23/220120023.db2.gz HSYZQPUAQXHSQM-IRXDYDNUSA-N 2 2 278.415 3.236 20 0 CGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C)c1 ZINC000353512462 220127218 /nfs/dbraw/zinc/12/72/18/220127218.db2.gz CTQZJMZXSGUSQA-IRXDYDNUSA-N 2 2 292.492 3.473 20 0 CGADLP CCC(C)(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000441509153 373023527 /nfs/dbraw/zinc/02/35/27/373023527.db2.gz LJQXQRBSUOHHKX-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CCC(C)(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000441509153 373023533 /nfs/dbraw/zinc/02/35/33/373023533.db2.gz LJQXQRBSUOHHKX-OAHLLOKOSA-N 2 2 252.446 3.373 20 0 CGADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000442706772 373068410 /nfs/dbraw/zinc/06/84/10/373068410.db2.gz DZGXVPFPZMWGJY-QWHCGFSZSA-N 2 2 275.421 3.344 20 0 CGADLP CC(C)C[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000442719055 373071031 /nfs/dbraw/zinc/07/10/31/373071031.db2.gz PQNDRJDPUOJPTK-JXQTWKCFSA-N 2 2 276.415 3.376 20 0 CGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885698 373209779 /nfs/dbraw/zinc/20/97/79/373209779.db2.gz HKCXYFZRUDGIPA-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885698 373209789 /nfs/dbraw/zinc/20/97/89/373209789.db2.gz HKCXYFZRUDGIPA-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885698 373209798 /nfs/dbraw/zinc/20/97/98/373209798.db2.gz HKCXYFZRUDGIPA-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000173885698 373209806 /nfs/dbraw/zinc/20/98/06/373209806.db2.gz HKCXYFZRUDGIPA-QWHCGFSZSA-N 2 2 282.378 3.299 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000296584191 373184701 /nfs/dbraw/zinc/18/47/01/373184701.db2.gz XAJCILAZFQHRSA-CYBMUJFWSA-N 2 2 272.396 3.182 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccsc1 ZINC000297578322 373274017 /nfs/dbraw/zinc/27/40/17/373274017.db2.gz GYYWIEFMHLLJCS-KYOSRNDESA-N 2 2 264.438 3.414 20 0 CGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000297578322 373274024 /nfs/dbraw/zinc/27/40/24/373274024.db2.gz GYYWIEFMHLLJCS-KYOSRNDESA-N 2 2 264.438 3.414 20 0 CGADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)c[nH+]1 ZINC000298432982 373327637 /nfs/dbraw/zinc/32/76/37/373327637.db2.gz WXTOYSIAXTZYJI-MRXNPFEDSA-N 2 2 281.403 3.377 20 0 CGADLP COC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446743658 373357564 /nfs/dbraw/zinc/35/75/64/373357564.db2.gz GGKZXJFCHUGVRZ-VYDXJSESSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H]([NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446743658 373357575 /nfs/dbraw/zinc/35/75/75/373357575.db2.gz GGKZXJFCHUGVRZ-VYDXJSESSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@@H+]1C ZINC000446762057 373360503 /nfs/dbraw/zinc/36/05/03/373360503.db2.gz NCUUWDRKNCDPME-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@H]1[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCC[N@H+]1C ZINC000446762057 373360509 /nfs/dbraw/zinc/36/05/09/373360509.db2.gz NCUUWDRKNCDPME-LRDDRELGSA-N 2 2 298.833 3.484 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000447587165 373459701 /nfs/dbraw/zinc/45/97/01/373459701.db2.gz PDTTVBVZNIURSL-TUVASFSCSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000447587165 373459710 /nfs/dbraw/zinc/45/97/10/373459710.db2.gz PDTTVBVZNIURSL-TUVASFSCSA-N 2 2 252.446 3.129 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353626580 220203775 /nfs/dbraw/zinc/20/37/75/220203775.db2.gz UIZVVERXQIXFGT-JSGCOSHPSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353626580 220203778 /nfs/dbraw/zinc/20/37/78/220203778.db2.gz UIZVVERXQIXFGT-JSGCOSHPSA-N 2 2 261.413 3.216 20 0 CGADLP Cc1ccccc1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000175912268 373536625 /nfs/dbraw/zinc/53/66/25/373536625.db2.gz FVDGZIAOCRPULW-UHFFFAOYSA-N 2 2 283.419 3.461 20 0 CGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000176277596 373577394 /nfs/dbraw/zinc/57/73/94/373577394.db2.gz ICJAACZJYBADRO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC000176277596 373577401 /nfs/dbraw/zinc/57/74/01/373577401.db2.gz ICJAACZJYBADRO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000176277596 373577408 /nfs/dbraw/zinc/57/74/08/373577408.db2.gz ICJAACZJYBADRO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000176277596 373577417 /nfs/dbraw/zinc/57/74/17/373577417.db2.gz ICJAACZJYBADRO-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(-c2cccnc2)cc1 ZINC000176748063 373628928 /nfs/dbraw/zinc/62/89/28/373628928.db2.gz SXXBYJDKVFOBPZ-CYBMUJFWSA-N 2 2 278.359 3.323 20 0 CGADLP CCO[C@H]1C[C@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647942 220221895 /nfs/dbraw/zinc/22/18/95/220221895.db2.gz IBYLLWKHYFFNSK-IRXDYDNUSA-N 2 2 290.451 3.458 20 0 CGADLP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1(C)C ZINC000353647942 220221897 /nfs/dbraw/zinc/22/18/97/220221897.db2.gz IBYLLWKHYFFNSK-IRXDYDNUSA-N 2 2 290.451 3.458 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300187321 373620452 /nfs/dbraw/zinc/62/04/52/373620452.db2.gz TZTAZJGXFGEPEW-OLZOCXBDSA-N 2 2 285.391 3.138 20 0 CGADLP COc1cccc2c1cc[nH+]c2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300187321 373620455 /nfs/dbraw/zinc/62/04/55/373620455.db2.gz TZTAZJGXFGEPEW-OLZOCXBDSA-N 2 2 285.391 3.138 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329893 373767126 /nfs/dbraw/zinc/76/71/26/373767126.db2.gz NJKFRARFHMTXMN-HUUCEWRRSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccs1 ZINC000178329893 373767131 /nfs/dbraw/zinc/76/71/31/373767131.db2.gz NJKFRARFHMTXMN-HUUCEWRRSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C)c1 ZINC000353669888 220239707 /nfs/dbraw/zinc/23/97/07/220239707.db2.gz JXYHTQYQIXQVBC-HOTGVXAUSA-N 2 2 269.392 3.247 20 0 CGADLP CC(C)CCc1ccc(NCc2[nH+]ccn2C)[nH+]c1 ZINC000449708419 373849536 /nfs/dbraw/zinc/84/95/36/373849536.db2.gz GQNQSJYPWGPCGR-UHFFFAOYSA-N 2 2 258.369 3.016 20 0 CGADLP c1cn(-c2csc(C[NH2+]C[C@@H]3C[C@H]3C3CC3)c2)c[nH+]1 ZINC000449739636 373868987 /nfs/dbraw/zinc/86/89/87/373868987.db2.gz BJPBOSRNVHLELR-WFASDCNBSA-N 2 2 273.405 3.070 20 0 CGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)[nH+]1 ZINC000179949955 373943593 /nfs/dbraw/zinc/94/35/93/373943593.db2.gz ZSDUUCZSFRRFJO-MRXNPFEDSA-N 2 2 292.386 3.021 20 0 CGADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](Nc3ccccc3)C2)[nH+]1 ZINC000179949955 373943600 /nfs/dbraw/zinc/94/36/00/373943600.db2.gz ZSDUUCZSFRRFJO-MRXNPFEDSA-N 2 2 292.386 3.021 20 0 CGADLP Cc1cc[nH+]c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000302644546 373913453 /nfs/dbraw/zinc/91/34/53/373913453.db2.gz IYAFWIULOMJFMT-UHFFFAOYSA-N 2 2 264.332 3.188 20 0 CGADLP c1[nH]c(C[NH2+][C@H](CC2CCC2)c2ccccc2)c[nH+]1 ZINC000180370747 373994605 /nfs/dbraw/zinc/99/46/05/373994605.db2.gz LRIMAWXESFYMSH-MRXNPFEDSA-N 2 2 255.365 3.431 20 0 CGADLP CN(CC[NH+](C)C)c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450367964 374085712 /nfs/dbraw/zinc/08/57/12/374085712.db2.gz YLLFKFLLBJMKFO-UHFFFAOYSA-N 2 2 281.762 3.025 20 0 CGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1Cl)C[NH+](C)C ZINC000310123930 374208063 /nfs/dbraw/zinc/20/80/63/374208063.db2.gz IRPPWYVEKJWPDW-SNVBAGLBSA-N 2 2 275.223 3.281 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181917711 374190671 /nfs/dbraw/zinc/19/06/71/374190671.db2.gz YKPYWFRBSCOARN-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181917711 374190680 /nfs/dbraw/zinc/19/06/80/374190680.db2.gz YKPYWFRBSCOARN-GOEBONIOSA-N 2 2 292.398 3.113 20 0 CGADLP C[C@H](C[NH2+]Cc1ccsc1Cl)C[NH+]1CCCC1 ZINC000312551457 374281754 /nfs/dbraw/zinc/28/17/54/374281754.db2.gz FFBYABQJGPVOPD-LLVKDONJSA-N 2 2 272.845 3.223 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000080339045 541923692 /nfs/dbraw/zinc/92/36/92/541923692.db2.gz HPXIJVNDXUSODI-FUHWJXTLSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000080339045 541923695 /nfs/dbraw/zinc/92/36/95/541923695.db2.gz HPXIJVNDXUSODI-FUHWJXTLSA-N 2 2 295.430 3.224 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285300 374391928 /nfs/dbraw/zinc/39/19/28/374391928.db2.gz MHKDPIOLWUHHIW-CYDGBPFRSA-N 2 2 278.362 3.037 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000453285300 374391932 /nfs/dbraw/zinc/39/19/32/374391932.db2.gz MHKDPIOLWUHHIW-CYDGBPFRSA-N 2 2 278.362 3.037 20 0 CGADLP CC[N@H+](CCCn1cc[nH+]c1)c1cc(C)cc(C)c1 ZINC000183188441 374382466 /nfs/dbraw/zinc/38/24/66/374382466.db2.gz NFPIEPCUYFVFNQ-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[N@@H+](CCCn1cc[nH+]c1)c1cc(C)cc(C)c1 ZINC000183188441 374382470 /nfs/dbraw/zinc/38/24/70/374382470.db2.gz NFPIEPCUYFVFNQ-UHFFFAOYSA-N 2 2 257.381 3.417 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183204692 374384984 /nfs/dbraw/zinc/38/49/84/374384984.db2.gz LFHHGOZLJIZHGD-LBPRGKRZSA-N 2 2 270.367 3.347 20 0 CGADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccncc1F ZINC000334194893 206174488 /nfs/dbraw/zinc/17/44/88/206174488.db2.gz KBCAPBBVHMAZGU-LLVKDONJSA-N 2 2 279.403 3.181 20 0 CGADLP Fc1cccc(F)c1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000185328075 374639792 /nfs/dbraw/zinc/63/97/92/374639792.db2.gz ZHXRHFBGIMGVSS-CYBMUJFWSA-N 2 2 291.345 3.041 20 0 CGADLP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000185328075 374639795 /nfs/dbraw/zinc/63/97/95/374639795.db2.gz ZHXRHFBGIMGVSS-CYBMUJFWSA-N 2 2 291.345 3.041 20 0 CGADLP CC[C@@H](C[N@H+](CC)CCn1cc[nH+]c1)c1ccccc1 ZINC000186612021 374887467 /nfs/dbraw/zinc/88/74/67/374887467.db2.gz XGZZBLCGYIBBJD-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP CC[C@@H](C[N@@H+](CC)CCn1cc[nH+]c1)c1ccccc1 ZINC000186612021 374887474 /nfs/dbraw/zinc/88/74/74/374887474.db2.gz XGZZBLCGYIBBJD-INIZCTEOSA-N 2 2 271.408 3.399 20 0 CGADLP CCC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000462749215 374833827 /nfs/dbraw/zinc/83/38/27/374833827.db2.gz ORLAHFAVOVCTNW-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP CCC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000462749215 374833830 /nfs/dbraw/zinc/83/38/30/374833830.db2.gz ORLAHFAVOVCTNW-GPANFISMSA-N 2 2 252.446 3.419 20 0 CGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000334736053 375019571 /nfs/dbraw/zinc/01/95/71/375019571.db2.gz HZJDVINFPFZIBR-LBPRGKRZSA-N 2 2 266.816 3.427 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000475484651 375133344 /nfs/dbraw/zinc/13/33/44/375133344.db2.gz DPKYPVOHKNVNBX-UYHISHBKSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000475484651 375133352 /nfs/dbraw/zinc/13/33/52/375133352.db2.gz DPKYPVOHKNVNBX-UYHISHBKSA-N 2 2 288.410 3.275 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000487274630 375216758 /nfs/dbraw/zinc/21/67/58/375216758.db2.gz GKLOWPZVOKWSRT-CZUORRHYSA-N 2 2 269.392 3.397 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000188983152 375304833 /nfs/dbraw/zinc/30/48/33/375304833.db2.gz PAKYESOJRWIZDK-MSOLQXFVSA-N 2 2 283.419 3.274 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000491007387 375323094 /nfs/dbraw/zinc/32/30/94/375323094.db2.gz OAKWCHXMYGBPLN-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1 ZINC000491007387 375323102 /nfs/dbraw/zinc/32/31/02/375323102.db2.gz OAKWCHXMYGBPLN-VKJFTORMSA-N 2 2 272.436 3.437 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@@H+]1C1CC1 ZINC000188720077 375259330 /nfs/dbraw/zinc/25/93/30/375259330.db2.gz YCLFETDJIGHESZ-DYVFJYSZSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[N@H+]1C1CC1 ZINC000188720077 375259333 /nfs/dbraw/zinc/25/93/33/375259333.db2.gz YCLFETDJIGHESZ-DYVFJYSZSA-N 2 2 270.420 3.279 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)s1 ZINC000335684608 375344171 /nfs/dbraw/zinc/34/41/71/375344171.db2.gz VSWHEYLKCMLAIB-VHSXEESVSA-N 2 2 281.812 3.264 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cc[nH]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000189385098 375380624 /nfs/dbraw/zinc/38/06/24/375380624.db2.gz HJNQLJQTQNOPLO-SFHVURJKSA-N 2 2 283.419 3.159 20 0 CGADLP C[C@@]1(C[NH2+]Cc2cc[nH]c2)CCC[N@H+]1Cc1ccccc1 ZINC000189385098 375380628 /nfs/dbraw/zinc/38/06/28/375380628.db2.gz HJNQLJQTQNOPLO-SFHVURJKSA-N 2 2 283.419 3.159 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000189536766 375406382 /nfs/dbraw/zinc/40/63/82/375406382.db2.gz BFHFDIXYSFVNHR-ZLPCBKJTSA-N 2 2 290.451 3.053 20 0 CGADLP CC(C)OC1CC([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000189536766 375406389 /nfs/dbraw/zinc/40/63/89/375406389.db2.gz BFHFDIXYSFVNHR-ZLPCBKJTSA-N 2 2 290.451 3.053 20 0 CGADLP C/C=C(/C=C\C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CC ZINC000492170501 375436627 /nfs/dbraw/zinc/43/66/27/375436627.db2.gz PKHFCRBDLLSGFF-DLHAERFUSA-N 2 2 282.347 3.118 20 0 CGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000189753792 375443716 /nfs/dbraw/zinc/44/37/16/375443716.db2.gz BNEOFSDRSYSBOE-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCO1 ZINC000189753792 375443723 /nfs/dbraw/zinc/44/37/23/375443723.db2.gz BNEOFSDRSYSBOE-QGZVFWFLSA-N 2 2 290.451 3.056 20 0 CGADLP Cc1ccc2[nH]c(C[NH+]3CCC([NH+](C)C)CC3)cc2c1C ZINC000335871063 375500841 /nfs/dbraw/zinc/50/08/41/375500841.db2.gz MNAXERLTDRCYGP-UHFFFAOYSA-N 2 2 285.435 3.311 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349375 375624887 /nfs/dbraw/zinc/62/48/87/375624887.db2.gz ATGWRNLPIJCEEZ-UKRRQHHQSA-N 2 2 252.446 3.133 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000498349375 375624890 /nfs/dbraw/zinc/62/48/90/375624890.db2.gz ATGWRNLPIJCEEZ-UKRRQHHQSA-N 2 2 252.446 3.133 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000335997060 375602344 /nfs/dbraw/zinc/60/23/44/375602344.db2.gz KIPWMJWKKIUBJR-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000335997060 375602352 /nfs/dbraw/zinc/60/23/52/375602352.db2.gz KIPWMJWKKIUBJR-MRXNPFEDSA-N 2 2 269.392 3.026 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccco1 ZINC000191877687 375671422 /nfs/dbraw/zinc/67/14/22/375671422.db2.gz XYPRZBGBHVSDDX-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccco1 ZINC000191877687 375671430 /nfs/dbraw/zinc/67/14/30/375671430.db2.gz XYPRZBGBHVSDDX-UHFFFAOYSA-N 2 2 281.359 3.406 20 0 CGADLP CC(C)c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000191893765 375674840 /nfs/dbraw/zinc/67/48/40/375674840.db2.gz IXNVHKWPVWSFAV-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP CC(C)c1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000191893765 375674848 /nfs/dbraw/zinc/67/48/48/375674848.db2.gz IXNVHKWPVWSFAV-UHFFFAOYSA-N 2 2 283.419 3.455 20 0 CGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000336101208 375687095 /nfs/dbraw/zinc/68/70/95/375687095.db2.gz WOMJVLOEBMOTPQ-FZMZJTMJSA-N 2 2 275.783 3.202 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC000192021234 375690641 /nfs/dbraw/zinc/69/06/41/375690641.db2.gz STMVLDNKDXLUJI-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC000192021234 375690643 /nfs/dbraw/zinc/69/06/43/375690643.db2.gz STMVLDNKDXLUJI-UHFFFAOYSA-N 2 2 269.392 3.413 20 0 CGADLP COc1ccc(Cl)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000192136956 375703153 /nfs/dbraw/zinc/70/31/53/375703153.db2.gz IVTXENGHJAPDOD-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP COc1ccc(Cl)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000192136956 375703157 /nfs/dbraw/zinc/70/31/57/375703157.db2.gz IVTXENGHJAPDOD-UHFFFAOYSA-N 2 2 293.798 3.067 20 0 CGADLP Cn1c[nH+]cc1CCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000516191417 375817577 /nfs/dbraw/zinc/81/75/77/375817577.db2.gz NOWUNXADJJSNFX-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP Cn1c[nH+]cc1CCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000516191417 375817580 /nfs/dbraw/zinc/81/75/80/375817580.db2.gz NOWUNXADJJSNFX-UHFFFAOYSA-N 2 2 283.419 3.146 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000510990638 375789716 /nfs/dbraw/zinc/78/97/16/375789716.db2.gz DBHXAUKJIBHGQP-IIYDPXPESA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000510990638 375789723 /nfs/dbraw/zinc/78/97/23/375789723.db2.gz DBHXAUKJIBHGQP-IIYDPXPESA-N 2 2 296.405 3.358 20 0 CGADLP CC(C)=CCC[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000532455286 375952321 /nfs/dbraw/zinc/95/23/21/375952321.db2.gz VOTONKCWSIDDAE-ULQDDVLXSA-N 2 2 282.472 3.210 20 0 CGADLP C[C@@H](c1cccnc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534125852 375959732 /nfs/dbraw/zinc/95/97/32/375959732.db2.gz BMXRRJGTMYYFFQ-AWEZNQCLSA-N 2 2 282.391 3.114 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800925 375951043 /nfs/dbraw/zinc/95/10/43/375951043.db2.gz OFCWQSDMNWNQIC-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800925 375951052 /nfs/dbraw/zinc/95/10/52/375951052.db2.gz OFCWQSDMNWNQIC-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800925 375951059 /nfs/dbraw/zinc/95/10/59/375951059.db2.gz OFCWQSDMNWNQIC-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C[C@@H]1C ZINC000336800925 375951069 /nfs/dbraw/zinc/95/10/69/375951069.db2.gz OFCWQSDMNWNQIC-FZMZJTMJSA-N 2 2 281.469 3.065 20 0 CGADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000336824332 375981909 /nfs/dbraw/zinc/98/19/09/375981909.db2.gz UGGWZFGLEMWDSI-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000336824332 375981914 /nfs/dbraw/zinc/98/19/14/375981914.db2.gz UGGWZFGLEMWDSI-HNNXBMFYSA-N 2 2 293.480 3.068 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000536881059 376141489 /nfs/dbraw/zinc/14/14/89/376141489.db2.gz FKUMUNUBLVOOAM-MAUKXSAKSA-N 2 2 274.452 3.457 20 0 CGADLP CC[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000536881059 376141494 /nfs/dbraw/zinc/14/14/94/376141494.db2.gz FKUMUNUBLVOOAM-MAUKXSAKSA-N 2 2 274.452 3.457 20 0 CGADLP COc1ccc2cc(C[N@@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000337503862 376225885 /nfs/dbraw/zinc/22/58/85/376225885.db2.gz GGUPLEKJERLYDO-IEBWSBKVSA-N 2 2 296.414 3.032 20 0 CGADLP COc1ccc2cc(C[N@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)ccc2c1 ZINC000337503862 376225892 /nfs/dbraw/zinc/22/58/92/376225892.db2.gz GGUPLEKJERLYDO-IEBWSBKVSA-N 2 2 296.414 3.032 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337993440 376252445 /nfs/dbraw/zinc/25/24/45/376252445.db2.gz HHHABEGMIUGJDE-IRXDYDNUSA-N 2 2 294.483 3.044 20 0 CGADLP CCC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000539409377 376309899 /nfs/dbraw/zinc/30/98/99/376309899.db2.gz TVZDGVUHWDULNM-JKSUJKDBSA-N 2 2 252.446 3.373 20 0 CGADLP CCC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000539409377 376309905 /nfs/dbraw/zinc/30/99/05/376309905.db2.gz TVZDGVUHWDULNM-JKSUJKDBSA-N 2 2 252.446 3.373 20 0 CGADLP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000338236154 376293539 /nfs/dbraw/zinc/29/35/39/376293539.db2.gz HTHFJNHDSYKHAR-CABCVRRESA-N 2 2 286.410 3.372 20 0 CGADLP FC1(F)CCC[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000338236154 376293544 /nfs/dbraw/zinc/29/35/44/376293544.db2.gz HTHFJNHDSYKHAR-CABCVRRESA-N 2 2 286.410 3.372 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[C@H]([NH3+])C2)c1Br ZINC000227667864 376405632 /nfs/dbraw/zinc/40/56/32/376405632.db2.gz ZGIOKCLGLHRWLN-MNOVXSKESA-N 2 2 298.228 3.082 20 0 CGADLP CC(C)CCC[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000338433879 376374514 /nfs/dbraw/zinc/37/45/14/376374514.db2.gz DGDCVMTZTPSMGD-QGZVFWFLSA-N 2 2 262.441 3.185 20 0 CGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1C[C@H]1c1ccccc1 ZINC000338693805 376484379 /nfs/dbraw/zinc/48/43/79/376484379.db2.gz LWWFNNFCJSHROF-UAGQMJEPSA-N 2 2 269.392 3.055 20 0 CGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338786819 376534931 /nfs/dbraw/zinc/53/49/31/376534931.db2.gz NUYQPQDTRMFLOK-XIRDDKMYSA-N 2 2 260.425 3.108 20 0 CGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338786819 376534941 /nfs/dbraw/zinc/53/49/41/376534941.db2.gz NUYQPQDTRMFLOK-XIRDDKMYSA-N 2 2 260.425 3.108 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024553 376634399 /nfs/dbraw/zinc/63/43/99/376634399.db2.gz YHELDQDFFDVDLY-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024553 376634406 /nfs/dbraw/zinc/63/44/06/376634406.db2.gz YHELDQDFFDVDLY-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024553 376634410 /nfs/dbraw/zinc/63/44/10/376634410.db2.gz YHELDQDFFDVDLY-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3Cl)CC[C@H]21 ZINC000339024553 376634417 /nfs/dbraw/zinc/63/44/17/376634417.db2.gz YHELDQDFFDVDLY-IUODEOHRSA-N 2 2 296.817 3.395 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404050 376637704 /nfs/dbraw/zinc/63/77/04/376637704.db2.gz FKYNQEOSEFHEOW-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCCCC1 ZINC000543404050 376637712 /nfs/dbraw/zinc/63/77/12/376637712.db2.gz FKYNQEOSEFHEOW-CKEIUWERSA-N 2 2 264.457 3.418 20 0 CGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000235707604 376648749 /nfs/dbraw/zinc/64/87/49/376648749.db2.gz KVQDONODYHRVJP-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000235707604 376648753 /nfs/dbraw/zinc/64/87/53/376648753.db2.gz KVQDONODYHRVJP-CYBMUJFWSA-N 2 2 273.207 3.164 20 0 CGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000236602005 376670031 /nfs/dbraw/zinc/67/00/31/376670031.db2.gz BMAMJFLRANLQLQ-UHFFFAOYSA-N 2 2 299.418 3.304 20 0 CGADLP C[NH+](C)[C@H](C[NH2+]C[C@@H]1CC=CCC1)Cc1ccccc1 ZINC000237005635 376725253 /nfs/dbraw/zinc/72/52/53/376725253.db2.gz KBNQEPWCMLUSAJ-MSOLQXFVSA-N 2 2 272.436 3.105 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000339233555 376739141 /nfs/dbraw/zinc/73/91/41/376739141.db2.gz DPVNQFQMIZUBTH-KRWDZBQOSA-N 2 2 270.420 3.280 20 0 CGADLP c1cc(C2CCC2)ccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000339233555 376739152 /nfs/dbraw/zinc/73/91/52/376739152.db2.gz DPVNQFQMIZUBTH-KRWDZBQOSA-N 2 2 270.420 3.280 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCC2)o1 ZINC000544579614 376747604 /nfs/dbraw/zinc/74/76/04/376747604.db2.gz VRJDCBJPEYFVCZ-INIZCTEOSA-N 2 2 273.380 3.306 20 0 CGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCc4ccccc43)[nH+]c12 ZINC000156301696 542127911 /nfs/dbraw/zinc/12/79/11/542127911.db2.gz IUYDCHPHSRNMKG-SFHVURJKSA-N 2 2 291.398 3.462 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245556648 376853886 /nfs/dbraw/zinc/85/38/86/376853886.db2.gz UOTRNMILNDBFAC-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245556648 376853893 /nfs/dbraw/zinc/85/38/93/376853893.db2.gz UOTRNMILNDBFAC-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245556648 376853899 /nfs/dbraw/zinc/85/38/99/376853899.db2.gz UOTRNMILNDBFAC-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245556648 376853904 /nfs/dbraw/zinc/85/39/04/376853904.db2.gz UOTRNMILNDBFAC-KBPBESRZSA-N 2 2 287.407 3.162 20 0 CGADLP CCc1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000556765301 376877032 /nfs/dbraw/zinc/87/70/32/376877032.db2.gz WZXFJZFKXMRTGP-HOCLYGCPSA-N 2 2 293.455 3.227 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556871674 376893796 /nfs/dbraw/zinc/89/37/96/376893796.db2.gz LLUCUFZODXRMCS-IUODEOHRSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000556871674 376893802 /nfs/dbraw/zinc/89/38/02/376893802.db2.gz LLUCUFZODXRMCS-IUODEOHRSA-N 2 2 294.389 3.112 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000556869497 376894265 /nfs/dbraw/zinc/89/42/65/376894265.db2.gz IYTRDJKLSAMFAJ-UONOGXRCSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000556869497 376894272 /nfs/dbraw/zinc/89/42/72/376894272.db2.gz IYTRDJKLSAMFAJ-UONOGXRCSA-N 2 2 296.405 3.217 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000556873946 376895345 /nfs/dbraw/zinc/89/53/45/376895345.db2.gz YKQJPDDHHFAZEW-CHWSQXEVSA-N 2 2 296.405 3.358 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000556873946 376895353 /nfs/dbraw/zinc/89/53/53/376895353.db2.gz YKQJPDDHHFAZEW-CHWSQXEVSA-N 2 2 296.405 3.358 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccncc1F ZINC000340226840 376953970 /nfs/dbraw/zinc/95/39/70/376953970.db2.gz CGWRQXFPALOWQJ-AWEZNQCLSA-N 2 2 281.419 3.383 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccncc1F ZINC000340244100 376962062 /nfs/dbraw/zinc/96/20/62/376962062.db2.gz DDVUSGLOSQPMMR-CYBMUJFWSA-N 2 2 296.349 3.257 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000246293155 377006774 /nfs/dbraw/zinc/00/67/74/377006774.db2.gz CPCFCWNCTRHCCT-HLLBOEOZSA-N 2 2 289.467 3.132 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000246293155 377006782 /nfs/dbraw/zinc/00/67/82/377006782.db2.gz CPCFCWNCTRHCCT-HLLBOEOZSA-N 2 2 289.467 3.132 20 0 CGADLP CC(C)CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000558921332 377054920 /nfs/dbraw/zinc/05/49/20/377054920.db2.gz YSEOYRUJDBCRFP-NUJGCVRESA-N 2 2 296.499 3.290 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000559899048 377106274 /nfs/dbraw/zinc/10/62/74/377106274.db2.gz FITQQNADCMOHNO-HUUCEWRRSA-N 2 2 250.430 3.195 20 0 CGADLP CC1=CC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000559899048 377106284 /nfs/dbraw/zinc/10/62/84/377106284.db2.gz FITQQNADCMOHNO-HUUCEWRRSA-N 2 2 250.430 3.195 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nccs1 ZINC000246862013 377106960 /nfs/dbraw/zinc/10/69/60/377106960.db2.gz KSCRBOIENQILRW-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000246862013 377106964 /nfs/dbraw/zinc/10/69/64/377106964.db2.gz KSCRBOIENQILRW-CHWSQXEVSA-N 2 2 267.442 3.058 20 0 CGADLP CCC1CC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000560246839 377132949 /nfs/dbraw/zinc/13/29/49/377132949.db2.gz VFVLFUOJRBWWCK-RYKRPPSOSA-N 2 2 272.436 3.428 20 0 CGADLP CCC1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000560246839 377132954 /nfs/dbraw/zinc/13/29/54/377132954.db2.gz VFVLFUOJRBWWCK-RYKRPPSOSA-N 2 2 272.436 3.428 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000560467271 377154099 /nfs/dbraw/zinc/15/40/99/377154099.db2.gz AMXCMGCZVIDBMJ-KRWDZBQOSA-N 2 2 258.409 3.207 20 0 CGADLP CC1=CC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000560467271 377154107 /nfs/dbraw/zinc/15/41/07/377154107.db2.gz AMXCMGCZVIDBMJ-KRWDZBQOSA-N 2 2 258.409 3.207 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000560530528 377165342 /nfs/dbraw/zinc/16/53/42/377165342.db2.gz PXDGVXKNXJTBNU-IAGOWNOFSA-N 2 2 269.392 3.397 20 0 CGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000247944189 377246304 /nfs/dbraw/zinc/24/63/04/377246304.db2.gz GXVZVDJQHWKBLX-BQFCYCMXSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000561981024 377259232 /nfs/dbraw/zinc/25/92/32/377259232.db2.gz SOJIMYRISMUMFG-ZDUSSCGKSA-N 2 2 278.827 3.224 20 0 CGADLP C[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000561981024 377259237 /nfs/dbraw/zinc/25/92/37/377259237.db2.gz SOJIMYRISMUMFG-ZDUSSCGKSA-N 2 2 278.827 3.224 20 0 CGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccco2)[C@H](C)C1 ZINC000248053353 377262629 /nfs/dbraw/zinc/26/26/29/377262629.db2.gz WVXVXZNAYDPYFB-OAGGEKHMSA-N 2 2 294.439 3.067 20 0 CGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccco2)[C@H](C)C1 ZINC000248053353 377262637 /nfs/dbraw/zinc/26/26/37/377262637.db2.gz WVXVXZNAYDPYFB-OAGGEKHMSA-N 2 2 294.439 3.067 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000248058823 377264864 /nfs/dbraw/zinc/26/48/64/377264864.db2.gz XUURTPFVDZLVNZ-BFYDXBDKSA-N 2 2 290.451 3.261 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000248058823 377264870 /nfs/dbraw/zinc/26/48/70/377264870.db2.gz XUURTPFVDZLVNZ-BFYDXBDKSA-N 2 2 290.451 3.261 20 0 CGADLP C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000562060444 377272618 /nfs/dbraw/zinc/27/26/18/377272618.db2.gz YLSGVSXLYIODSR-SWHYSGLUSA-N 2 2 277.318 3.177 20 0 CGADLP C[C@H]1CC[N@H+](CCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248225943 377281802 /nfs/dbraw/zinc/28/18/02/377281802.db2.gz PLOQJOGJZPEPQQ-FUHWJXTLSA-N 2 2 299.418 3.235 20 0 CGADLP C[C@H]1CC[N@@H+](CCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248225943 377281808 /nfs/dbraw/zinc/28/18/08/377281808.db2.gz PLOQJOGJZPEPQQ-FUHWJXTLSA-N 2 2 299.418 3.235 20 0 CGADLP COCC[C@@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000248973232 377436004 /nfs/dbraw/zinc/43/60/04/377436004.db2.gz HARJLPVAFJWGBK-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP COCC[C@@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000248973232 377436012 /nfs/dbraw/zinc/43/60/12/377436012.db2.gz HARJLPVAFJWGBK-SJLPKXTDSA-N 2 2 292.467 3.158 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000163703563 542169257 /nfs/dbraw/zinc/16/92/57/542169257.db2.gz RXPCBDTUZNOCIK-IAGOWNOFSA-N 2 2 296.499 3.292 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000166711881 542175245 /nfs/dbraw/zinc/17/52/45/542175245.db2.gz DTGTYAXJSBQYJF-LSDHHAIUSA-N 2 2 291.439 3.295 20 0 CGADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000166711881 542175250 /nfs/dbraw/zinc/17/52/50/542175250.db2.gz DTGTYAXJSBQYJF-LSDHHAIUSA-N 2 2 291.439 3.295 20 0 CGADLP Cn1c[nH+]c(CC[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000313247871 249090274 /nfs/dbraw/zinc/09/02/74/249090274.db2.gz ADHXJAPDVSAIHU-UHFFFAOYSA-N 2 2 290.219 3.121 20 0 CGADLP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)[NH+](C)C ZINC000312706636 249082609 /nfs/dbraw/zinc/08/26/09/249082609.db2.gz SGLQTNXZYAVQAN-IDCNUPLLSA-N 2 2 274.452 3.499 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251098056 377573986 /nfs/dbraw/zinc/57/39/86/377573986.db2.gz QNQYBWBKLRMEEF-OWCLPIDISA-N 2 2 262.372 3.103 20 0 CGADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251098056 377573997 /nfs/dbraw/zinc/57/39/97/377573997.db2.gz QNQYBWBKLRMEEF-OWCLPIDISA-N 2 2 262.372 3.103 20 0 CGADLP CCc1ccc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2c1 ZINC000515037025 249198252 /nfs/dbraw/zinc/19/82/52/249198252.db2.gz QBHXZPAYRBBNBA-UHFFFAOYSA-N 2 2 294.402 3.308 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CCc2cccc3ccccc32)n1C ZINC000516585589 249238401 /nfs/dbraw/zinc/23/84/01/249238401.db2.gz WILJHYDGRHZEEW-UHFFFAOYSA-N 2 2 279.387 3.214 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038342 249255563 /nfs/dbraw/zinc/25/55/63/249255563.db2.gz XTEZYHFSYXBFHG-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000517038342 249255564 /nfs/dbraw/zinc/25/55/64/249255564.db2.gz XTEZYHFSYXBFHG-TZMCWYRMSA-N 2 2 287.432 3.122 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000252388304 377619259 /nfs/dbraw/zinc/61/92/59/377619259.db2.gz DMZIJMBLUCRJPD-OLZOCXBDSA-N 2 2 281.469 3.367 20 0 CGADLP Cc1nc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000252388304 377619265 /nfs/dbraw/zinc/61/92/65/377619265.db2.gz DMZIJMBLUCRJPD-OLZOCXBDSA-N 2 2 281.469 3.367 20 0 CGADLP CC1(C)CCC[C@@H](CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000574351205 377652311 /nfs/dbraw/zinc/65/23/11/377652311.db2.gz HJJOGYAPTUGZSH-OAHLLOKOSA-N 2 2 298.434 3.377 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000342625274 377696729 /nfs/dbraw/zinc/69/67/29/377696729.db2.gz LPMABFPWLKYUKD-INIZCTEOSA-N 2 2 283.419 3.252 20 0 CGADLP CC1(C)CC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000342674586 377727338 /nfs/dbraw/zinc/72/73/38/377727338.db2.gz FXSSOHZGFJGDOH-HNNXBMFYSA-N 2 2 255.365 3.151 20 0 CGADLP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000574782115 377708521 /nfs/dbraw/zinc/70/85/21/377708521.db2.gz NUERJZBIRWERCA-SFHVURJKSA-N 2 2 284.403 3.265 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261546642 377815025 /nfs/dbraw/zinc/81/50/25/377815025.db2.gz LCTOFADHUCKDBF-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000261546642 377815033 /nfs/dbraw/zinc/81/50/33/377815033.db2.gz LCTOFADHUCKDBF-SFHVURJKSA-N 2 2 296.414 3.189 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000261589307 377823226 /nfs/dbraw/zinc/82/32/26/377823226.db2.gz WGSPQEXIVSNLBR-ZLKJLUDKSA-N 2 2 285.218 3.163 20 0 CGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]12 ZINC000261589307 377823230 /nfs/dbraw/zinc/82/32/30/377823230.db2.gz WGSPQEXIVSNLBR-ZLKJLUDKSA-N 2 2 285.218 3.163 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261586174 377823887 /nfs/dbraw/zinc/82/38/87/377823887.db2.gz UFBKKSBBSDWPLO-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261586174 377823893 /nfs/dbraw/zinc/82/38/93/377823893.db2.gz UFBKKSBBSDWPLO-AWEZNQCLSA-N 2 2 285.218 3.179 20 0 CGADLP CCc1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000261650989 377835183 /nfs/dbraw/zinc/83/51/83/377835183.db2.gz RYTALCAJDHOOFY-RRFJBIMHSA-N 2 2 293.480 3.106 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000261953022 377871664 /nfs/dbraw/zinc/87/16/64/377871664.db2.gz GGNJEPQWXIQJND-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000261953022 377871667 /nfs/dbraw/zinc/87/16/67/377871667.db2.gz GGNJEPQWXIQJND-ZDUSSCGKSA-N 2 2 272.392 3.179 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000575310651 377877431 /nfs/dbraw/zinc/87/74/31/377877431.db2.gz FLFNJKAYUCQZTR-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC000575310651 377877438 /nfs/dbraw/zinc/87/74/38/377877438.db2.gz FLFNJKAYUCQZTR-CYBMUJFWSA-N 2 2 266.816 3.032 20 0 CGADLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@@H]1[NH3+] ZINC000262022358 377880012 /nfs/dbraw/zinc/88/00/12/377880012.db2.gz NHXPXJCYCYHPPF-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C[C@@H]1[NH3+] ZINC000262022358 377880015 /nfs/dbraw/zinc/88/00/15/377880015.db2.gz NHXPXJCYCYHPPF-NHYWBVRUSA-N 2 2 290.407 3.333 20 0 CGADLP CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342861850 377844403 /nfs/dbraw/zinc/84/44/03/377844403.db2.gz OJXOFZDLUMGJIW-INIZCTEOSA-N 2 2 255.365 3.103 20 0 CGADLP CC(C)[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000342861850 377844410 /nfs/dbraw/zinc/84/44/10/377844410.db2.gz OJXOFZDLUMGJIW-INIZCTEOSA-N 2 2 255.365 3.103 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261725213 377845432 /nfs/dbraw/zinc/84/54/32/377845432.db2.gz LNGQMCZKPOVBPG-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261725213 377845443 /nfs/dbraw/zinc/84/54/43/377845443.db2.gz LNGQMCZKPOVBPG-JEBQAFNWSA-N 2 2 284.378 3.313 20 0 CGADLP C[NH2+][C@@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000261779417 377852836 /nfs/dbraw/zinc/85/28/36/377852836.db2.gz PBZMUVMTHLDLJB-GOSISDBHSA-N 2 2 268.404 3.066 20 0 CGADLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000261779417 377852839 /nfs/dbraw/zinc/85/28/39/377852839.db2.gz PBZMUVMTHLDLJB-GOSISDBHSA-N 2 2 268.404 3.066 20 0 CGADLP CC[N@H+](Cc1ccsc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261803711 377855643 /nfs/dbraw/zinc/85/56/43/377855643.db2.gz HEQKDZPIBXTEBX-LBPRGKRZSA-N 2 2 272.845 3.366 20 0 CGADLP CC[N@@H+](Cc1ccsc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000261803711 377855649 /nfs/dbraw/zinc/85/56/49/377855649.db2.gz HEQKDZPIBXTEBX-LBPRGKRZSA-N 2 2 272.845 3.366 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCCn1cc[nH+]c1 ZINC000343324334 377952893 /nfs/dbraw/zinc/95/28/93/377952893.db2.gz XDRCWMZIKDSPPL-GOSISDBHSA-N 2 2 299.418 3.291 20 0 CGADLP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343324334 377952897 /nfs/dbraw/zinc/95/28/97/377952897.db2.gz XDRCWMZIKDSPPL-GOSISDBHSA-N 2 2 299.418 3.291 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000343151976 377915066 /nfs/dbraw/zinc/91/50/66/377915066.db2.gz DKLDMMYIQLSPDF-UHFFFAOYSA-N 2 2 298.430 3.380 20 0 CGADLP CCc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000343151976 377915076 /nfs/dbraw/zinc/91/50/76/377915076.db2.gz DKLDMMYIQLSPDF-UHFFFAOYSA-N 2 2 298.430 3.380 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH+](CC1CC1)CC1CC1 ZINC000575906700 377999382 /nfs/dbraw/zinc/99/93/82/377999382.db2.gz MTSBWIWKKXHJMF-UHFFFAOYSA-N 2 2 258.409 3.445 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1F ZINC000268792215 378112423 /nfs/dbraw/zinc/11/24/23/378112423.db2.gz DQKYMVRUQHEGEL-NEPJUHHUSA-N 2 2 293.411 3.483 20 0 CGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000268816756 378121266 /nfs/dbraw/zinc/12/12/66/378121266.db2.gz MKPIYCXTOREQKX-ABAIWWIYSA-N 2 2 279.334 3.291 20 0 CGADLP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000579082696 378128869 /nfs/dbraw/zinc/12/88/69/378128869.db2.gz BYKNUZJCLQDUOC-HNNXBMFYSA-N 2 2 289.467 3.460 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579242070 378142796 /nfs/dbraw/zinc/14/27/96/378142796.db2.gz DHAPGIIXYTUAAT-MELADBBJSA-N 2 2 261.413 3.071 20 0 CGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579242070 378142802 /nfs/dbraw/zinc/14/28/02/378142802.db2.gz DHAPGIIXYTUAAT-MELADBBJSA-N 2 2 261.413 3.071 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1(C)C ZINC000344031206 378155152 /nfs/dbraw/zinc/15/51/52/378155152.db2.gz GLXOCABYCCQWHE-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000343813980 378100329 /nfs/dbraw/zinc/10/03/29/378100329.db2.gz RHPCWQKRVAYXCP-IRXDYDNUSA-N 2 2 285.435 3.378 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)CC2)n1C ZINC000578787049 378101187 /nfs/dbraw/zinc/10/11/87/378101187.db2.gz AJAORPCGFUUOIR-HUUCEWRRSA-N 2 2 263.429 3.423 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000580010884 378215675 /nfs/dbraw/zinc/21/56/75/378215675.db2.gz QDUOMJAAOOSEKV-UHFFFAOYSA-N 2 2 297.446 3.391 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCN(C)c1ccccc1 ZINC000580010884 378215677 /nfs/dbraw/zinc/21/56/77/378215677.db2.gz QDUOMJAAOOSEKV-UHFFFAOYSA-N 2 2 297.446 3.391 20 0 CGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000579391683 378156934 /nfs/dbraw/zinc/15/69/34/378156934.db2.gz QPWJXPICAQJUAM-GFCCVEGCSA-N 2 2 287.432 3.229 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000579400814 378157501 /nfs/dbraw/zinc/15/75/01/378157501.db2.gz NDAHYJJUDFOSTJ-JKIFEVAISA-N 2 2 258.409 3.166 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000579400814 378157505 /nfs/dbraw/zinc/15/75/05/378157505.db2.gz NDAHYJJUDFOSTJ-JKIFEVAISA-N 2 2 258.409 3.166 20 0 CGADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCSCC2)CCCC1 ZINC000579616457 378178153 /nfs/dbraw/zinc/17/81/53/378178153.db2.gz DRNBMYWTYVHZPW-ARFHVFGLSA-N 2 2 294.508 3.126 20 0 CGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000580874075 378265823 /nfs/dbraw/zinc/26/58/23/378265823.db2.gz KHDQFQPOCAKBRH-CBZIJGRNSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000580874075 378265831 /nfs/dbraw/zinc/26/58/31/378265831.db2.gz KHDQFQPOCAKBRH-CBZIJGRNSA-N 2 2 290.451 3.053 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)c2nccn21 ZINC000345366075 378268628 /nfs/dbraw/zinc/26/86/28/378268628.db2.gz YTFVNZKJCHQFJC-ZBFHGGJFSA-N 2 2 290.455 3.133 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)c2nccn21 ZINC000345366075 378268631 /nfs/dbraw/zinc/26/86/31/378268631.db2.gz YTFVNZKJCHQFJC-ZBFHGGJFSA-N 2 2 290.455 3.133 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000580782084 378258357 /nfs/dbraw/zinc/25/83/57/378258357.db2.gz SWWQDOWFKHPQQO-CRAIPNDOSA-N 2 2 295.430 3.015 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000580782084 378258361 /nfs/dbraw/zinc/25/83/61/378258361.db2.gz SWWQDOWFKHPQQO-CRAIPNDOSA-N 2 2 295.430 3.015 20 0 CGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)n1C ZINC000582252966 378297125 /nfs/dbraw/zinc/29/71/25/378297125.db2.gz XQDBXKDLUFMFTO-CQSZACIVSA-N 2 2 291.395 3.194 20 0 CGADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000270858805 378407446 /nfs/dbraw/zinc/40/74/46/378407446.db2.gz JOVDDSPDKFRQRS-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1cccc(F)c1 ZINC000270858805 378407449 /nfs/dbraw/zinc/40/74/49/378407449.db2.gz JOVDDSPDKFRQRS-CJNGLKHVSA-N 2 2 273.355 3.105 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000270881699 378408751 /nfs/dbraw/zinc/40/87/51/378408751.db2.gz NRDUGZZLVSLJJU-RHSMWYFYSA-N 2 2 269.392 3.070 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000270881699 378408754 /nfs/dbraw/zinc/40/87/54/378408754.db2.gz NRDUGZZLVSLJJU-RHSMWYFYSA-N 2 2 269.392 3.070 20 0 CGADLP CC(C)c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000584105686 378374518 /nfs/dbraw/zinc/37/45/18/378374518.db2.gz KZIPOBFIHMFQRW-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP CC(C)c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000584105686 378374524 /nfs/dbraw/zinc/37/45/24/378374524.db2.gz KZIPOBFIHMFQRW-UHFFFAOYSA-N 2 2 258.409 3.090 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000584407263 378381899 /nfs/dbraw/zinc/38/18/99/378381899.db2.gz FQZNVSVJBUPUAH-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000584407263 378381903 /nfs/dbraw/zinc/38/19/03/378381903.db2.gz FQZNVSVJBUPUAH-LJQANCHMSA-N 2 2 295.430 3.465 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@H+]1CCn1cc[nH+]c1C ZINC000270658640 378382281 /nfs/dbraw/zinc/38/22/81/378382281.db2.gz OFTAUGYYXYVPRM-CQSZACIVSA-N 2 2 275.421 3.262 20 0 CGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CCn1cc[nH+]c1C ZINC000270658640 378382287 /nfs/dbraw/zinc/38/22/87/378382287.db2.gz OFTAUGYYXYVPRM-CQSZACIVSA-N 2 2 275.421 3.262 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000270675456 378386193 /nfs/dbraw/zinc/38/61/93/378386193.db2.gz SNRSVIRSHWQONJ-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000270675456 378386196 /nfs/dbraw/zinc/38/61/96/378386196.db2.gz SNRSVIRSHWQONJ-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000271181487 378472339 /nfs/dbraw/zinc/47/23/39/378472339.db2.gz HYZCCLQFFUGMPT-UHFFFAOYSA-N 2 2 261.394 3.159 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000346090332 378460915 /nfs/dbraw/zinc/46/09/15/378460915.db2.gz DSNSYSHMLFKCLR-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000346090332 378460919 /nfs/dbraw/zinc/46/09/19/378460919.db2.gz DSNSYSHMLFKCLR-HUUCEWRRSA-N 2 2 258.409 3.191 20 0 CGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000271034450 378434497 /nfs/dbraw/zinc/43/44/97/378434497.db2.gz IRQFXBFTOHOQQE-UHFFFAOYSA-N 2 2 264.438 3.198 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000271928686 378521224 /nfs/dbraw/zinc/52/12/24/378521224.db2.gz GYEAEPRREYKWTC-HDMKZQKVSA-N 2 2 299.418 3.481 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000346134998 378475919 /nfs/dbraw/zinc/47/59/19/378475919.db2.gz FYVAVCWNLABHFF-AWEZNQCLSA-N 2 2 296.374 3.362 20 0 CGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000346134998 378475922 /nfs/dbraw/zinc/47/59/22/378475922.db2.gz FYVAVCWNLABHFF-AWEZNQCLSA-N 2 2 296.374 3.362 20 0 CGADLP CC(C)[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139486 378478033 /nfs/dbraw/zinc/47/80/33/378478033.db2.gz VTROGAJYNULAKT-LBPRGKRZSA-N 2 2 263.410 3.410 20 0 CGADLP CC(C)[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346139486 378478034 /nfs/dbraw/zinc/47/80/34/378478034.db2.gz VTROGAJYNULAKT-LBPRGKRZSA-N 2 2 263.410 3.410 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c2)c[nH+]1 ZINC000346192103 378498113 /nfs/dbraw/zinc/49/81/13/378498113.db2.gz CUPHZNCOTPKSRM-BETUJISGSA-N 2 2 273.405 3.166 20 0 CGADLP c1cn(-c2csc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c2)c[nH+]1 ZINC000346192103 378498117 /nfs/dbraw/zinc/49/81/17/378498117.db2.gz CUPHZNCOTPKSRM-BETUJISGSA-N 2 2 273.405 3.166 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@@H+]1C ZINC000346343061 378551742 /nfs/dbraw/zinc/55/17/42/378551742.db2.gz VIKBYOAZAJQZJH-BZVDIIDJSA-N 2 2 276.399 3.144 20 0 CGADLP C[C@@H]1[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)CCC[N@H+]1C ZINC000346343061 378551745 /nfs/dbraw/zinc/55/17/45/378551745.db2.gz VIKBYOAZAJQZJH-BZVDIIDJSA-N 2 2 276.399 3.144 20 0 CGADLP Cc1cc(NCc2c[nH+]cn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000272434647 378636037 /nfs/dbraw/zinc/63/60/37/378636037.db2.gz KFHPWRBKGOPLPF-AWEZNQCLSA-N 2 2 299.422 3.114 20 0 CGADLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC000346686904 378674434 /nfs/dbraw/zinc/67/44/34/378674434.db2.gz KTDHHHIPBJLIFH-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC000346686904 378674440 /nfs/dbraw/zinc/67/44/40/378674440.db2.gz KTDHHHIPBJLIFH-SFHVURJKSA-N 2 2 266.388 3.195 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346807848 378690710 /nfs/dbraw/zinc/69/07/10/378690710.db2.gz MTVTYYULBKKYOC-KKXDTOCCSA-N 2 2 288.435 3.145 20 0 CGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346807848 378690718 /nfs/dbraw/zinc/69/07/18/378690718.db2.gz MTVTYYULBKKYOC-KKXDTOCCSA-N 2 2 288.435 3.145 20 0 CGADLP CCc1ccc([C@H](C[NH2+]CC2(SC)CC2)[NH+](C)C)cc1 ZINC000347960235 378740668 /nfs/dbraw/zinc/74/06/68/378740668.db2.gz PNVGPYXJJWOXKT-INIZCTEOSA-N 2 2 292.492 3.337 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000347971168 378743860 /nfs/dbraw/zinc/74/38/60/378743860.db2.gz XDPGPUIJISSDAD-QLFBSQMISA-N 2 2 291.439 3.287 20 0 CGADLP Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000347971168 378743864 /nfs/dbraw/zinc/74/38/64/378743864.db2.gz XDPGPUIJISSDAD-QLFBSQMISA-N 2 2 291.439 3.287 20 0 CGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000272772047 378702493 /nfs/dbraw/zinc/70/24/93/378702493.db2.gz SRKHHQXOTSFDGU-CQSZACIVSA-N 2 2 297.402 3.242 20 0 CGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000638448598 378807008 /nfs/dbraw/zinc/80/70/08/378807008.db2.gz VEUHUDMJTKBUIT-CFVMTHIKSA-N 2 2 282.378 3.231 20 0 CGADLP COc1cnccc1[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348222070 378846183 /nfs/dbraw/zinc/84/61/83/378846183.db2.gz HJDGTYBIALFEOX-AWEZNQCLSA-N 2 2 285.391 3.077 20 0 CGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC[C@H]1CCO1)c1ccccc1 ZINC000638601709 378846588 /nfs/dbraw/zinc/84/65/88/378846588.db2.gz OHNQSQZULKOHKW-WBVHZDCISA-N 2 2 290.451 3.275 20 0 CGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000346850633 218036563 /nfs/dbraw/zinc/03/65/63/218036563.db2.gz UUSZMIJRLNABLH-ZDUSSCGKSA-N 2 2 266.816 3.084 20 0 CGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000346850633 218036565 /nfs/dbraw/zinc/03/65/65/218036565.db2.gz UUSZMIJRLNABLH-ZDUSSCGKSA-N 2 2 266.816 3.084 20 0 CGADLP CC(C)SCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348302144 378895376 /nfs/dbraw/zinc/89/53/76/378895376.db2.gz LYSMQHPOSQCPLD-NVXWUHKLSA-N 2 2 292.492 3.238 20 0 CGADLP CC(C)SCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348302144 378895383 /nfs/dbraw/zinc/89/53/83/378895383.db2.gz LYSMQHPOSQCPLD-NVXWUHKLSA-N 2 2 292.492 3.238 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000347004597 218088677 /nfs/dbraw/zinc/08/86/77/218088677.db2.gz AEKNSRIFLRRCBD-UHFFFAOYSA-N 2 2 288.435 3.192 20 0 CGADLP Cc1ccc(CC[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000638854509 378937263 /nfs/dbraw/zinc/93/72/63/378937263.db2.gz VXZVOXOPTOFTQQ-UHFFFAOYSA-N 2 2 279.387 3.018 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348340750 378917063 /nfs/dbraw/zinc/91/70/63/378917063.db2.gz XMZWGJKYNWUTSS-NVXWUHKLSA-N 2 2 290.426 3.379 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348340750 378917069 /nfs/dbraw/zinc/91/70/69/378917069.db2.gz XMZWGJKYNWUTSS-NVXWUHKLSA-N 2 2 290.426 3.379 20 0 CGADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000348346366 378920646 /nfs/dbraw/zinc/92/06/46/378920646.db2.gz CKXDVMCGCGGBJF-CABCVRRESA-N 2 2 290.455 3.217 20 0 CGADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC000348346366 378920654 /nfs/dbraw/zinc/92/06/54/378920654.db2.gz CKXDVMCGCGGBJF-CABCVRRESA-N 2 2 290.455 3.217 20 0 CGADLP C[NH2+]C1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000347042691 218101622 /nfs/dbraw/zinc/10/16/22/218101622.db2.gz LPGAISPZIDAICR-UHFFFAOYSA-N 2 2 293.461 3.055 20 0 CGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000638903067 378949125 /nfs/dbraw/zinc/94/91/25/378949125.db2.gz SUYVMULIWSPYFZ-DLBZAZTESA-N 2 2 294.483 3.212 20 0 CGADLP c1ccc2cc(C[N@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000347063754 218109493 /nfs/dbraw/zinc/10/94/93/218109493.db2.gz CUVWJHOQSJHIBX-SFHVURJKSA-N 2 2 266.388 3.166 20 0 CGADLP c1ccc2cc(C[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)ccc2c1 ZINC000347063754 218109494 /nfs/dbraw/zinc/10/94/94/218109494.db2.gz CUVWJHOQSJHIBX-SFHVURJKSA-N 2 2 266.388 3.166 20 0 CGADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000347016722 218092639 /nfs/dbraw/zinc/09/26/39/218092639.db2.gz JZFSKGBNWSSWGE-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000347016722 218092642 /nfs/dbraw/zinc/09/26/42/218092642.db2.gz JZFSKGBNWSSWGE-AWEZNQCLSA-N 2 2 287.432 3.042 20 0 CGADLP CC(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347075869 218113257 /nfs/dbraw/zinc/11/32/57/218113257.db2.gz UUEDWDPFJODTPP-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP CC(C)CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000347075869 218113259 /nfs/dbraw/zinc/11/32/59/218113259.db2.gz UUEDWDPFJODTPP-INIZCTEOSA-N 2 2 276.424 3.035 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000278613870 194069273 /nfs/dbraw/zinc/06/92/73/194069273.db2.gz GVCDUQIVJWUCAW-UHFFFAOYSA-N 2 2 298.386 3.139 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@@H+]1C ZINC000278675297 194098220 /nfs/dbraw/zinc/09/82/20/194098220.db2.gz GCLUMGHCUYNBMG-GXSJLCMTSA-N 2 2 288.769 3.191 20 0 CGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC[N@H+]1C ZINC000278675297 194098221 /nfs/dbraw/zinc/09/82/21/194098221.db2.gz GCLUMGHCUYNBMG-GXSJLCMTSA-N 2 2 288.769 3.191 20 0 CGADLP CCC[C@H](C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348818967 379065820 /nfs/dbraw/zinc/06/58/20/379065820.db2.gz UCUQULILIGRRQD-HNNXBMFYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@H](C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000348818967 379065823 /nfs/dbraw/zinc/06/58/23/379065823.db2.gz UCUQULILIGRRQD-HNNXBMFYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@H](C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000348818967 379065826 /nfs/dbraw/zinc/06/58/26/379065826.db2.gz UCUQULILIGRRQD-HNNXBMFYSA-N 2 2 266.429 3.470 20 0 CGADLP CCC[C@H](C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000348818967 379065829 /nfs/dbraw/zinc/06/58/29/379065829.db2.gz UCUQULILIGRRQD-HNNXBMFYSA-N 2 2 266.429 3.470 20 0 CGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCc3ccccc3C1)CCCC2 ZINC000639148369 379072102 /nfs/dbraw/zinc/07/21/02/379072102.db2.gz DITJZAFSVADVDK-HNNXBMFYSA-N 2 2 295.430 3.114 20 0 CGADLP CC(C)C1CC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348848683 379082777 /nfs/dbraw/zinc/08/27/77/379082777.db2.gz ORNULLVYYFOSGR-UHFFFAOYSA-N 2 2 270.380 3.173 20 0 CGADLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)Oc1ccccc1 ZINC000639174720 379093037 /nfs/dbraw/zinc/09/30/37/379093037.db2.gz DZMKEWCIZFTVNJ-UHFFFAOYSA-N 2 2 287.407 3.063 20 0 CGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)Oc1ccccc1 ZINC000639174720 379093049 /nfs/dbraw/zinc/09/30/49/379093049.db2.gz DZMKEWCIZFTVNJ-UHFFFAOYSA-N 2 2 287.407 3.063 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639182260 379103826 /nfs/dbraw/zinc/10/38/26/379103826.db2.gz DRQSCGXLXXZNSG-UKPHBRMFSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@H](CF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639182260 379103837 /nfs/dbraw/zinc/10/38/37/379103837.db2.gz DRQSCGXLXXZNSG-UKPHBRMFSA-N 2 2 276.399 3.302 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000277324409 379131333 /nfs/dbraw/zinc/13/13/33/379131333.db2.gz CHGZUPJNWVIMCC-UKRRQHHQSA-N 2 2 294.389 3.284 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000277324409 379131334 /nfs/dbraw/zinc/13/13/34/379131334.db2.gz CHGZUPJNWVIMCC-UKRRQHHQSA-N 2 2 294.389 3.284 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)CC1 ZINC000277274570 379115600 /nfs/dbraw/zinc/11/56/00/379115600.db2.gz RUOBBVMGLLUNMY-AWEZNQCLSA-N 2 2 298.377 3.204 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC000277274570 379115607 /nfs/dbraw/zinc/11/56/07/379115607.db2.gz RUOBBVMGLLUNMY-AWEZNQCLSA-N 2 2 298.377 3.204 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000349124093 379164380 /nfs/dbraw/zinc/16/43/80/379164380.db2.gz AWCJLRGDXHNJAI-LBPRGKRZSA-N 2 2 298.365 3.030 20 0 CGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000349124093 379164387 /nfs/dbraw/zinc/16/43/87/379164387.db2.gz AWCJLRGDXHNJAI-LBPRGKRZSA-N 2 2 298.365 3.030 20 0 CGADLP Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000371336975 379142373 /nfs/dbraw/zinc/14/23/73/379142373.db2.gz RPZJXYPLRPQDNO-UHFFFAOYSA-N 2 2 269.392 3.406 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000349178983 379178446 /nfs/dbraw/zinc/17/84/46/379178446.db2.gz CACFSSCTUJWWGN-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000349178983 379178453 /nfs/dbraw/zinc/17/84/53/379178453.db2.gz CACFSSCTUJWWGN-OAHLLOKOSA-N 2 2 261.413 3.180 20 0 CGADLP Cc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)ccc1C[NH+](C)C ZINC000639259347 379203003 /nfs/dbraw/zinc/20/30/03/379203003.db2.gz WKVRRBSCYMUWHZ-KRWDZBQOSA-N 2 2 298.434 3.353 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000344112197 284773079 /nfs/dbraw/zinc/77/30/79/284773079.db2.gz KSLDILSBDYTUFE-HZPDHXFCSA-N 2 2 296.499 3.292 20 0 CGADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000349423435 379279672 /nfs/dbraw/zinc/27/96/72/379279672.db2.gz XHNPWTFBQJJCHW-UHFFFAOYSA-N 2 2 298.434 3.279 20 0 CGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000639375366 379330981 /nfs/dbraw/zinc/33/09/81/379330981.db2.gz USHOINMOQJEPTA-UHFFFAOYSA-N 2 2 299.462 3.021 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000373879559 379343504 /nfs/dbraw/zinc/34/35/04/379343504.db2.gz COPICYOFAUCFGO-HIFRSBDPSA-N 2 2 275.440 3.176 20 0 CGADLP CCc1cccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374198017 379392829 /nfs/dbraw/zinc/39/28/29/379392829.db2.gz FVENHLSRPSXOMC-UHFFFAOYSA-N 2 2 299.418 3.231 20 0 CGADLP C[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374209945 379394496 /nfs/dbraw/zinc/39/44/96/379394496.db2.gz SBQALLUMLPMFLF-AWEZNQCLSA-N 2 2 269.392 3.393 20 0 CGADLP CC1CCC([N@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347619021 218293244 /nfs/dbraw/zinc/29/32/44/218293244.db2.gz WITZIZBHVMEOLS-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP CC1CCC([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347619021 218293247 /nfs/dbraw/zinc/29/32/47/218293247.db2.gz WITZIZBHVMEOLS-UHFFFAOYSA-N 2 2 281.469 3.215 20 0 CGADLP Cc1cc([C@H]2CCC[N@@H+]2CCCc2c[nH+]ccc2C)on1 ZINC000347621086 218293792 /nfs/dbraw/zinc/29/37/92/218293792.db2.gz ZIOLUTNECYMNSL-MRXNPFEDSA-N 2 2 285.391 3.456 20 0 CGADLP Cc1cc([C@H]2CCC[N@H+]2CCCc2c[nH+]ccc2C)on1 ZINC000347621086 218293793 /nfs/dbraw/zinc/29/37/93/218293793.db2.gz ZIOLUTNECYMNSL-MRXNPFEDSA-N 2 2 285.391 3.456 20 0 CGADLP C[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1F)Cn1cc[nH+]c1 ZINC000349931440 379448938 /nfs/dbraw/zinc/44/89/38/379448938.db2.gz HRTSQGJXZDKUAC-IBUXWKBASA-N 2 2 291.345 3.100 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c(C)[nH+]1 ZINC000639656492 379529889 /nfs/dbraw/zinc/52/98/89/379529889.db2.gz RRNCUEYYOVLYCU-SFHVURJKSA-N 2 2 298.430 3.042 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c(C)[nH+]1 ZINC000639656492 379529896 /nfs/dbraw/zinc/52/98/96/379529896.db2.gz RRNCUEYYOVLYCU-SFHVURJKSA-N 2 2 298.430 3.042 20 0 CGADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000639674763 379541615 /nfs/dbraw/zinc/54/16/15/379541615.db2.gz PSMNTEUTRGZVSR-MJGOQNOKSA-N 2 2 296.414 3.315 20 0 CGADLP CSCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376594311 379586555 /nfs/dbraw/zinc/58/65/55/379586555.db2.gz DEXIFKBHELKLAK-CQSZACIVSA-N 2 2 293.480 3.152 20 0 CGADLP CSCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376594311 379586561 /nfs/dbraw/zinc/58/65/61/379586561.db2.gz DEXIFKBHELKLAK-CQSZACIVSA-N 2 2 293.480 3.152 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC3(CCC3)OC[C@H]2C)c(C)[nH+]1 ZINC000639800639 379591047 /nfs/dbraw/zinc/59/10/47/379591047.db2.gz LZZPJQBUORRHTL-CQSZACIVSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c(C)[nH+]1 ZINC000639800639 379591056 /nfs/dbraw/zinc/59/10/56/379591056.db2.gz LZZPJQBUORRHTL-CQSZACIVSA-N 2 2 274.408 3.150 20 0 CGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000640101111 379719931 /nfs/dbraw/zinc/71/99/31/379719931.db2.gz RLPRTLLJSOTQSH-SZMVWBNQSA-N 2 2 288.435 3.132 20 0 CGADLP Cc1cc(C)c(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000640101111 379719937 /nfs/dbraw/zinc/71/99/37/379719937.db2.gz RLPRTLLJSOTQSH-SZMVWBNQSA-N 2 2 288.435 3.132 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377771073 379736800 /nfs/dbraw/zinc/73/68/00/379736800.db2.gz DDCOHOOTTNYBBG-HZSPNIEDSA-N 2 2 261.413 3.073 20 0 CGADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377771073 379736805 /nfs/dbraw/zinc/73/68/05/379736805.db2.gz DDCOHOOTTNYBBG-HZSPNIEDSA-N 2 2 261.413 3.073 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3[nH]ccc31)CCC2 ZINC000377832019 379747580 /nfs/dbraw/zinc/74/75/80/379747580.db2.gz QCNULFPWOFHENJ-HNNXBMFYSA-N 2 2 294.402 3.340 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C)c1C)CCC2 ZINC000377832937 379747605 /nfs/dbraw/zinc/74/76/05/379747605.db2.gz VZHYPJUVELTYCI-QGZVFWFLSA-N 2 2 283.419 3.476 20 0 CGADLP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(F)cn1 ZINC000352720718 379922862 /nfs/dbraw/zinc/92/28/62/379922862.db2.gz MVQJJIAUHOMPKA-INIZCTEOSA-N 2 2 293.430 3.382 20 0 CGADLP COc1ccc2c(c1)C[N@@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000347838768 218372312 /nfs/dbraw/zinc/37/23/12/218372312.db2.gz BFHQEZZVPFSYQR-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP COc1ccc2c(c1)C[N@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000347838768 218372313 /nfs/dbraw/zinc/37/23/13/218372313.db2.gz BFHQEZZVPFSYQR-UHFFFAOYSA-N 2 2 296.414 3.390 20 0 CGADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C/c2ccccc2)s1 ZINC000352737204 379932049 /nfs/dbraw/zinc/93/20/49/379932049.db2.gz JPAWXRLFLKZDMO-RMKNXTFCSA-N 2 2 287.432 3.008 20 0 CGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400392527 379949054 /nfs/dbraw/zinc/94/90/54/379949054.db2.gz AUWNHLMQMDVSPZ-YWPYICTPSA-N 2 2 264.438 3.200 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000400718491 379952764 /nfs/dbraw/zinc/95/27/64/379952764.db2.gz NVJYLIALBJWBFO-COPLHBTASA-N 2 2 252.789 3.131 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000352832798 379989958 /nfs/dbraw/zinc/98/99/58/379989958.db2.gz PYUBUCPYSPMVFO-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000352832798 379989961 /nfs/dbraw/zinc/98/99/61/379989961.db2.gz PYUBUCPYSPMVFO-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352832798 379989964 /nfs/dbraw/zinc/98/99/64/379989964.db2.gz PYUBUCPYSPMVFO-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000352832798 379989970 /nfs/dbraw/zinc/98/99/70/379989970.db2.gz PYUBUCPYSPMVFO-GOEBONIOSA-N 2 2 278.827 3.174 20 0 CGADLP Cc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352832594 379990423 /nfs/dbraw/zinc/99/04/23/379990423.db2.gz WNOOXAZSHMLVJD-ZDUSSCGKSA-N 2 2 289.448 3.364 20 0 CGADLP CC(C)[C@@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347877389 218386944 /nfs/dbraw/zinc/38/69/44/218386944.db2.gz LACDHLJSSSWMDG-AWEZNQCLSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)[C@@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347877389 218386946 /nfs/dbraw/zinc/38/69/46/218386946.db2.gz LACDHLJSSSWMDG-AWEZNQCLSA-N 2 2 281.469 3.215 20 0 CGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000410345053 380088628 /nfs/dbraw/zinc/08/86/28/380088628.db2.gz NLCVKFCVAKRDSR-HZPDHXFCSA-N 2 2 252.446 3.229 20 0 CGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000410345053 380088631 /nfs/dbraw/zinc/08/86/31/380088631.db2.gz NLCVKFCVAKRDSR-HZPDHXFCSA-N 2 2 252.446 3.229 20 0 CGADLP Cc1[nH+]cc(C[NH2+]CC2(CC(C)C)CCCC2)n1C ZINC000571821209 322308597 /nfs/dbraw/zinc/30/85/97/322308597.db2.gz LBMHZYZRAWHQMR-UHFFFAOYSA-N 2 2 263.429 3.425 20 0 CGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cn[nH]c1 ZINC000284064145 380122387 /nfs/dbraw/zinc/12/23/87/380122387.db2.gz KXARMQVBWKIDFM-KGLIPLIRSA-N 2 2 286.423 3.190 20 0 CGADLP Cc1ccc[nH+]c1NCc1c[nH+]c2ccc(Cl)cn12 ZINC000353215436 380170689 /nfs/dbraw/zinc/17/06/89/380170689.db2.gz DRMKKLHAJYZXKZ-UHFFFAOYSA-N 2 2 272.739 3.303 20 0 CGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1C(C)(C)C1(C)C ZINC000353946889 380249494 /nfs/dbraw/zinc/24/94/94/380249494.db2.gz WWTPQXGXFFEKEQ-CYBMUJFWSA-N 2 2 289.467 3.422 20 0 CGADLP CC(C)(C)c1nc(N[C@H](CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000643051690 380209426 /nfs/dbraw/zinc/20/94/26/380209426.db2.gz HJSLHLDUWYQSJX-OAHLLOKOSA-N 2 2 298.434 3.088 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353927443 380239085 /nfs/dbraw/zinc/23/90/85/380239085.db2.gz IZZDLIQAJHQJCT-GJZGRUSLSA-N 2 2 276.399 3.105 20 0 CGADLP CCc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353927443 380239092 /nfs/dbraw/zinc/23/90/92/380239092.db2.gz IZZDLIQAJHQJCT-GJZGRUSLSA-N 2 2 276.399 3.105 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c(C)s1 ZINC000643498640 380320518 /nfs/dbraw/zinc/32/05/18/380320518.db2.gz PLOKPQKUVRZIKR-LLVKDONJSA-N 2 2 281.469 3.462 20 0 CGADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(OC)cc1 ZINC000643501137 380322157 /nfs/dbraw/zinc/32/21/57/380322157.db2.gz WIXWMWZADDJMIL-NVXWUHKLSA-N 2 2 276.424 3.268 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502148 380324626 /nfs/dbraw/zinc/32/46/26/380324626.db2.gz YHOOVJPHIGDGGY-DGCLKSJQSA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000643502060 380324778 /nfs/dbraw/zinc/32/47/78/380324778.db2.gz WUEQKEJYUVRMOW-CJNGLKHVSA-N 2 2 282.378 3.394 20 0 CGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(-c2ccncc2)c1 ZINC000643506564 380328007 /nfs/dbraw/zinc/32/80/07/380328007.db2.gz BKTSQGGAOCDYHR-CQSZACIVSA-N 2 2 281.403 3.151 20 0 CGADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1OC(F)F ZINC000643506258 380328396 /nfs/dbraw/zinc/32/83/96/380328396.db2.gz PWEZWXKNZBELDX-CYBMUJFWSA-N 2 2 284.350 3.081 20 0 CGADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[NH2+]C1CC1 ZINC000643507291 380330564 /nfs/dbraw/zinc/33/05/64/380330564.db2.gz YJFQFFRJJRPYDD-SNVBAGLBSA-N 2 2 272.845 3.064 20 0 CGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2s1 ZINC000643507426 380330897 /nfs/dbraw/zinc/33/08/97/380330897.db2.gz CSIQMBIJMGFCCK-NSHDSACASA-N 2 2 260.406 3.304 20 0 CGADLP Cc1ncc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)s1 ZINC000643513037 380334009 /nfs/dbraw/zinc/33/40/09/380334009.db2.gz ADSXYPXHGCGJIH-GFCCVEGCSA-N 2 2 281.469 3.415 20 0 CGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414708740 380383282 /nfs/dbraw/zinc/38/32/82/380383282.db2.gz PFNIPJRFDHXIDH-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414708740 380383292 /nfs/dbraw/zinc/38/32/92/380383292.db2.gz PFNIPJRFDHXIDH-ZBFHGGJFSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414708739 380383573 /nfs/dbraw/zinc/38/35/73/380383573.db2.gz PFNIPJRFDHXIDH-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414708739 380383576 /nfs/dbraw/zinc/38/35/76/380383576.db2.gz PFNIPJRFDHXIDH-HOCLYGCPSA-N 2 2 260.425 3.253 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414716020 380385254 /nfs/dbraw/zinc/38/52/54/380385254.db2.gz XRMNQWRGNXZBFY-UHFFFAOYSA-N 2 2 252.377 3.039 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718237 380387254 /nfs/dbraw/zinc/38/72/54/380387254.db2.gz YZJUGXHLMUMYBS-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718237 380387258 /nfs/dbraw/zinc/38/72/58/380387258.db2.gz YZJUGXHLMUMYBS-GDBMZVCRSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000643526070 380341410 /nfs/dbraw/zinc/34/14/10/380341410.db2.gz OTGRPCIXUJRUAP-GJZGRUSLSA-N 2 2 284.403 3.263 20 0 CGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H](C)[NH3+] ZINC000643526934 380342554 /nfs/dbraw/zinc/34/25/54/380342554.db2.gz BIOOYOJKNJNTHT-SMDDNHRTSA-N 2 2 284.831 3.373 20 0 CGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000643527914 380344493 /nfs/dbraw/zinc/34/44/93/380344493.db2.gz VFTXAKHBXOVVSG-BDAKNGLRSA-N 2 2 297.196 3.193 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2ccccc2c1 ZINC000643536812 380353957 /nfs/dbraw/zinc/35/39/57/380353957.db2.gz VSSDRHPFRHYMJD-ZLIFDBKOSA-N 2 2 272.367 3.190 20 0 CGADLP CCCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643537173 380354639 /nfs/dbraw/zinc/35/46/39/380354639.db2.gz AEGKNBMBPMFYNH-HRCADAONSA-N 2 2 264.388 3.208 20 0 CGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000643538908 380355531 /nfs/dbraw/zinc/35/55/31/380355531.db2.gz ZTHIBCWZWXLWJV-TUUVXOQKSA-N 2 2 296.817 3.266 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(Cl)c1F ZINC000643538822 380356349 /nfs/dbraw/zinc/35/63/49/380356349.db2.gz XCXHJNGABIAECN-OUJBWJOFSA-N 2 2 288.769 3.220 20 0 CGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414814998 380426063 /nfs/dbraw/zinc/42/60/63/380426063.db2.gz OVTVSAJOBLZTFL-LLVKDONJSA-N 2 2 281.400 3.043 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414818839 380429877 /nfs/dbraw/zinc/42/98/77/380429877.db2.gz WUSUHCARMLGJEN-HNNXBMFYSA-N 2 2 276.424 3.007 20 0 CGADLP Cc1ccc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414824083 380434350 /nfs/dbraw/zinc/43/43/50/380434350.db2.gz AACVMUVFCFIUKU-KRWDZBQOSA-N 2 2 254.377 3.093 20 0 CGADLP [NH3+]C[C@H]([NH2+]Cc1ccsc1Cl)C1CCCCC1 ZINC000414830025 380437885 /nfs/dbraw/zinc/43/78/85/380437885.db2.gz AHYQFSGKMNOMEN-LBPRGKRZSA-N 2 2 272.845 3.399 20 0 CGADLP Cc1ccc(CCC[NH2+]Cc2ccn(C3CCCC3)n2)c[nH+]1 ZINC000354492610 380457936 /nfs/dbraw/zinc/45/79/36/380457936.db2.gz DXGJAXMDGDAPHZ-UHFFFAOYSA-N 2 2 298.434 3.424 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414839333 380445515 /nfs/dbraw/zinc/44/55/15/380445515.db2.gz WADVXSUBVSRCFQ-HNAYVOBHSA-N 2 2 298.430 3.306 20 0 CGADLP Cc1ncccc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414845994 380449765 /nfs/dbraw/zinc/44/97/65/380449765.db2.gz MRVGHOJQBSFEAX-SFHVURJKSA-N 2 2 283.419 3.303 20 0 CGADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354319833 380397543 /nfs/dbraw/zinc/39/75/43/380397543.db2.gz PJRPUDWGVNLLSB-GOSISDBHSA-N 2 2 284.403 3.300 20 0 CGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000414787926 380405202 /nfs/dbraw/zinc/40/52/02/380405202.db2.gz CXNHCUOUDVPLEM-NSHDSACASA-N 2 2 261.196 3.066 20 0 CGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000414794843 380409341 /nfs/dbraw/zinc/40/93/41/380409341.db2.gz MHLJLAXUVGYPQW-GFCCVEGCSA-N 2 2 291.222 3.075 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000414806327 380417613 /nfs/dbraw/zinc/41/76/13/380417613.db2.gz BJPLIWFYCOYMAY-VIFPVBQESA-N 2 2 291.258 3.118 20 0 CGADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1C(F)(F)F ZINC000414910757 380485746 /nfs/dbraw/zinc/48/57/46/380485746.db2.gz CRTAHCYKDHMDGD-YGRLFVJLSA-N 2 2 286.341 3.101 20 0 CGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414940736 380497643 /nfs/dbraw/zinc/49/76/43/380497643.db2.gz XWLVEORYASPHQG-ZANVPECISA-N 2 2 273.207 3.081 20 0 CGADLP Fc1ccc2c(NCCNc3cccc[nH+]3)cc[nH+]c2c1 ZINC000354654150 380516839 /nfs/dbraw/zinc/51/68/39/380516839.db2.gz FSHKZVNLJHXJHY-UHFFFAOYSA-N 2 2 282.322 3.293 20 0 CGADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(C)o1 ZINC000354504896 380461581 /nfs/dbraw/zinc/46/15/81/380461581.db2.gz PNGPBABTGDZTLN-MRXNPFEDSA-N 2 2 288.391 3.201 20 0 CGADLP CC[NH2+]Cc1ccccc1NCc1ccc(N(C)CC)[nH+]c1 ZINC000414861548 380462308 /nfs/dbraw/zinc/46/23/08/380462308.db2.gz FTLXJTNVSMCRCM-UHFFFAOYSA-N 2 2 298.434 3.259 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCC1 ZINC000354517456 380465794 /nfs/dbraw/zinc/46/57/94/380465794.db2.gz XXXNZPZFKLIIOX-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCC1 ZINC000354517456 380465799 /nfs/dbraw/zinc/46/57/99/380465799.db2.gz XXXNZPZFKLIIOX-MAUKXSAKSA-N 2 2 272.436 3.429 20 0 CGADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000414872462 380468391 /nfs/dbraw/zinc/46/83/91/380468391.db2.gz VJGHDLDSZBFVSN-UHFFFAOYSA-N 2 2 294.402 3.364 20 0 CGADLP Fc1cccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C3)s2)c1 ZINC000414886705 380473701 /nfs/dbraw/zinc/47/37/01/380473701.db2.gz QJHWFOFDHDYTBP-CYBMUJFWSA-N 2 2 276.380 3.006 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c[nH+]1 ZINC000354670109 380523652 /nfs/dbraw/zinc/52/36/52/380523652.db2.gz UYIDLKSKCATORT-MSOLQXFVSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c[nH+]1 ZINC000354670114 380523732 /nfs/dbraw/zinc/52/37/32/380523732.db2.gz UYIDLKSKCATORT-ZWKOTPCHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)[nH+]1 ZINC000354805646 380557072 /nfs/dbraw/zinc/55/70/72/380557072.db2.gz JLUZKIYSMKNGEG-UHFFFAOYSA-N 2 2 284.407 3.283 20 0 CGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000417355926 380605914 /nfs/dbraw/zinc/60/59/14/380605914.db2.gz ORWXYHYBIOPAFO-HZPDHXFCSA-N 2 2 287.451 3.100 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174560 380611105 /nfs/dbraw/zinc/61/11/05/380611105.db2.gz ZQWWFDOJAXJZHE-ZFWWWQNUSA-N 2 2 284.513 3.228 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCSCC1 ZINC000355174560 380611110 /nfs/dbraw/zinc/61/11/10/380611110.db2.gz ZQWWFDOJAXJZHE-ZFWWWQNUSA-N 2 2 284.513 3.228 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC[C@@H](C)C3)n2c1 ZINC000355592727 380721571 /nfs/dbraw/zinc/72/15/71/380721571.db2.gz BJVJQRAANSWOHR-OCCSQVGLSA-N 2 2 257.381 3.169 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645827255 380744585 /nfs/dbraw/zinc/74/45/85/380744585.db2.gz QJBCQMIEWHFFON-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645827255 380744587 /nfs/dbraw/zinc/74/45/87/380744587.db2.gz QJBCQMIEWHFFON-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645827255 380744588 /nfs/dbraw/zinc/74/45/88/380744588.db2.gz QJBCQMIEWHFFON-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645827255 380744589 /nfs/dbraw/zinc/74/45/89/380744589.db2.gz QJBCQMIEWHFFON-XWTMOSNGSA-N 2 2 294.483 3.140 20 0 CGADLP Fc1cccc(F)c1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000645828860 380745770 /nfs/dbraw/zinc/74/57/70/380745770.db2.gz CJDLHSQBXGBFLM-LBPRGKRZSA-N 2 2 291.345 3.110 20 0 CGADLP Fc1cccc(F)c1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000645828860 380745775 /nfs/dbraw/zinc/74/57/75/380745775.db2.gz CJDLHSQBXGBFLM-LBPRGKRZSA-N 2 2 291.345 3.110 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096265 380832830 /nfs/dbraw/zinc/83/28/30/380832830.db2.gz DWPNZERUGIBPKL-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096265 380832835 /nfs/dbraw/zinc/83/28/35/380832835.db2.gz DWPNZERUGIBPKL-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096265 380832843 /nfs/dbraw/zinc/83/28/43/380832843.db2.gz DWPNZERUGIBPKL-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096265 380832848 /nfs/dbraw/zinc/83/28/48/380832848.db2.gz DWPNZERUGIBPKL-IRXDYDNUSA-N 2 2 294.483 3.140 20 0 CGADLP CN(c1[nH+]ccc2cc(C(F)(F)F)ccc21)C1CC([NH3+])C1 ZINC000420275808 380845145 /nfs/dbraw/zinc/84/51/45/380845145.db2.gz GWLLVZCUIXLKTP-UHFFFAOYSA-N 2 2 295.308 3.180 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)s1 ZINC000334760410 207030566 /nfs/dbraw/zinc/03/05/66/207030566.db2.gz DLVNUWTXSPNJLE-RKDXNWHRSA-N 2 2 281.812 3.333 20 0 CGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)s1 ZINC000334760410 207030570 /nfs/dbraw/zinc/03/05/70/207030570.db2.gz DLVNUWTXSPNJLE-RKDXNWHRSA-N 2 2 281.812 3.333 20 0 CGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000356893623 380925146 /nfs/dbraw/zinc/92/51/46/380925146.db2.gz LIHCEWLNWJRCGJ-GFCCVEGCSA-N 2 2 270.804 3.143 20 0 CGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000356893623 380925154 /nfs/dbraw/zinc/92/51/54/380925154.db2.gz LIHCEWLNWJRCGJ-GFCCVEGCSA-N 2 2 270.804 3.143 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000358303314 381301309 /nfs/dbraw/zinc/30/13/09/381301309.db2.gz QOWKRYCVFGSBHA-DYVFJYSZSA-N 2 2 270.420 3.235 20 0 CGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000358303314 381301320 /nfs/dbraw/zinc/30/13/20/381301320.db2.gz QOWKRYCVFGSBHA-DYVFJYSZSA-N 2 2 270.420 3.235 20 0 CGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359975398 381394765 /nfs/dbraw/zinc/39/47/65/381394765.db2.gz KKHZBDIKIUICMH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000359975398 381394767 /nfs/dbraw/zinc/39/47/67/381394767.db2.gz KKHZBDIKIUICMH-NSHDSACASA-N 2 2 272.845 3.223 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C)c1F ZINC000360054035 381426915 /nfs/dbraw/zinc/42/69/15/381426915.db2.gz MLIHEAVBPDDTSC-KGLIPLIRSA-N 2 2 275.371 3.378 20 0 CGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C)c1F ZINC000360054037 381427565 /nfs/dbraw/zinc/42/75/65/381427565.db2.gz MLIHEAVBPDDTSC-UONOGXRCSA-N 2 2 275.371 3.378 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000334862176 207206844 /nfs/dbraw/zinc/20/68/44/207206844.db2.gz IFLXHDGIGZNEFY-ONGXEEELSA-N 2 2 273.207 3.224 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361349433 381711008 /nfs/dbraw/zinc/71/10/08/381711008.db2.gz VGCWPQCDXBTDMQ-JQHSSLGASA-N 2 2 295.430 3.231 20 0 CGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361349433 381711015 /nfs/dbraw/zinc/71/10/15/381711015.db2.gz VGCWPQCDXBTDMQ-JQHSSLGASA-N 2 2 295.430 3.231 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCC2CCCCC2)CC1 ZINC000361585032 381818942 /nfs/dbraw/zinc/81/89/42/381818942.db2.gz OYCGHPNBVWJZIJ-UHFFFAOYSA-N 2 2 296.499 3.436 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604427 542292113 /nfs/dbraw/zinc/29/21/13/542292113.db2.gz IYHISARURGGOSY-WOSRLPQWSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000226604427 542292114 /nfs/dbraw/zinc/29/21/14/542292114.db2.gz IYHISARURGGOSY-WOSRLPQWSA-N 2 2 264.388 3.349 20 0 CGADLP CC[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947312 207339106 /nfs/dbraw/zinc/33/91/06/207339106.db2.gz XLJZKUXLIWQVAK-KBPBESRZSA-N 2 2 261.413 3.197 20 0 CGADLP CC[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000334947312 207339108 /nfs/dbraw/zinc/33/91/08/207339108.db2.gz XLJZKUXLIWQVAK-KBPBESRZSA-N 2 2 261.413 3.197 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000362510411 382028074 /nfs/dbraw/zinc/02/80/74/382028074.db2.gz KZQHFLNQFVWHIK-NHYWBVRUSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000362510411 382028079 /nfs/dbraw/zinc/02/80/79/382028079.db2.gz KZQHFLNQFVWHIK-NHYWBVRUSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510411 382028085 /nfs/dbraw/zinc/02/80/85/382028085.db2.gz KZQHFLNQFVWHIK-NHYWBVRUSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(Cl)c2)CC[NH+]1C ZINC000362510411 382028093 /nfs/dbraw/zinc/02/80/93/382028093.db2.gz KZQHFLNQFVWHIK-NHYWBVRUSA-N 2 2 284.806 3.394 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000235223382 542310776 /nfs/dbraw/zinc/31/07/76/542310776.db2.gz KWSWHPLAKNQVMG-RISCZKNCSA-N 2 2 286.341 3.498 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252714670 542351020 /nfs/dbraw/zinc/35/10/20/542351020.db2.gz SODXUOGXISCIKS-KQTLUZQSSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252714670 542351022 /nfs/dbraw/zinc/35/10/22/542351022.db2.gz SODXUOGXISCIKS-KQTLUZQSSA-N 2 2 250.430 3.170 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261095 533009373 /nfs/dbraw/zinc/00/93/73/533009373.db2.gz IZNBWBKQDDDGSL-BBRMVZONSA-N 2 2 276.424 3.253 20 0 CGADLP COCC[NH2+]CC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423344060 533028155 /nfs/dbraw/zinc/02/81/55/533028155.db2.gz WQWQTULIOPZJHF-INIZCTEOSA-N 2 2 296.842 3.007 20 0 CGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(F)c1 ZINC000289348751 197306968 /nfs/dbraw/zinc/30/69/68/197306968.db2.gz XAUYMYHQAAUBSE-UHFFFAOYSA-N 2 2 258.340 3.252 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1F ZINC000423389522 533106910 /nfs/dbraw/zinc/10/69/10/533106910.db2.gz NOLRSIVMQHANJJ-WBMJQRKESA-N 2 2 294.414 3.263 20 0 CGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc2)cc1 ZINC000423243673 533132782 /nfs/dbraw/zinc/13/27/82/533132782.db2.gz WWAXLAULTVBGSY-MJGOQNOKSA-N 2 2 296.414 3.126 20 0 CGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353243023 285205365 /nfs/dbraw/zinc/20/53/65/285205365.db2.gz KGMTZUGTMHKQJS-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000353243023 285205370 /nfs/dbraw/zinc/20/53/70/285205370.db2.gz KGMTZUGTMHKQJS-GJZGRUSLSA-N 2 2 250.430 3.173 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000309829739 542427488 /nfs/dbraw/zinc/42/74/88/542427488.db2.gz RUUSFMLBUCPQJM-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000309829739 542427493 /nfs/dbraw/zinc/42/74/93/542427493.db2.gz RUUSFMLBUCPQJM-RHSMWYFYSA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(O)cc1 ZINC000309854560 542427904 /nfs/dbraw/zinc/42/79/04/542427904.db2.gz BRFJDZBZCDFDTH-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(O)cc1 ZINC000309854560 542427907 /nfs/dbraw/zinc/42/79/07/542427907.db2.gz BRFJDZBZCDFDTH-HNNXBMFYSA-N 2 2 284.403 3.002 20 0 CGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000309829738 542428048 /nfs/dbraw/zinc/42/80/48/542428048.db2.gz RUUSFMLBUCPQJM-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C)[nH+]1 ZINC000309829738 542428049 /nfs/dbraw/zinc/42/80/49/542428049.db2.gz RUUSFMLBUCPQJM-PBHICJAKSA-N 2 2 296.418 3.168 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334178077 542454470 /nfs/dbraw/zinc/45/44/70/542454470.db2.gz DGOPJSICYXKYGR-GUYCJALGSA-N 2 2 291.439 3.109 20 0 CGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334178077 542454473 /nfs/dbraw/zinc/45/44/73/542454473.db2.gz DGOPJSICYXKYGR-GUYCJALGSA-N 2 2 291.439 3.109 20 0 CGADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000281387747 195220383 /nfs/dbraw/zinc/22/03/83/195220383.db2.gz XRMNDURITWYOLT-IRXDYDNUSA-N 2 2 298.434 3.293 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000149342759 285288282 /nfs/dbraw/zinc/28/82/82/285288282.db2.gz MTFMGSAEVHOOFY-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000149342759 285288284 /nfs/dbraw/zinc/28/82/84/285288284.db2.gz MTFMGSAEVHOOFY-DOTOQJQBSA-N 2 2 258.409 3.056 20 0 CGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000353945861 542561906 /nfs/dbraw/zinc/56/19/06/542561906.db2.gz SUNDGTMBXBDEQQ-HIFPTAJRSA-N 2 2 289.345 3.230 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@H]3C)ccc2c1 ZINC000423360867 533336875 /nfs/dbraw/zinc/33/68/75/533336875.db2.gz LRUKNXBMGLWVAH-TYILLQQXSA-N 2 2 298.430 3.497 20 0 CGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OC(F)(F)F ZINC000423333667 533360959 /nfs/dbraw/zinc/36/09/59/533360959.db2.gz SBEMDYARQQZTIH-SNVBAGLBSA-N 2 2 288.313 3.117 20 0 CGADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438131 533416365 /nfs/dbraw/zinc/41/63/65/533416365.db2.gz KTRRUWPQMGVXDH-AWEZNQCLSA-N 2 2 299.418 3.387 20 0 CGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000414126879 533501417 /nfs/dbraw/zinc/50/14/17/533501417.db2.gz FJQAJOBYESCSSM-VUBIOHBQSA-N 2 2 260.425 3.312 20 0 CGADLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1csnn1 ZINC000436471860 533534581 /nfs/dbraw/zinc/53/45/81/533534581.db2.gz WKXAEWMNZBCPJP-VXGBXAGGSA-N 2 2 299.403 3.136 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389187007 542607196 /nfs/dbraw/zinc/60/71/96/542607196.db2.gz SLWCCYICBGSEQM-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000389187007 542607199 /nfs/dbraw/zinc/60/71/99/542607199.db2.gz SLWCCYICBGSEQM-LSDHHAIUSA-N 2 2 250.430 3.173 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000191222024 130204481 /nfs/dbraw/zinc/20/44/81/130204481.db2.gz BSRMUCTUACHZFP-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000191222024 130204483 /nfs/dbraw/zinc/20/44/83/130204483.db2.gz BSRMUCTUACHZFP-KGLIPLIRSA-N 2 2 252.427 3.273 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C)n1 ZINC000191477157 130241503 /nfs/dbraw/zinc/24/15/03/130241503.db2.gz IAMGIKSDAJKREB-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C)n1 ZINC000191477157 130241505 /nfs/dbraw/zinc/24/15/05/130241505.db2.gz IAMGIKSDAJKREB-UHFFFAOYSA-N 2 2 292.452 3.123 20 0 CGADLP C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000070924164 392186014 /nfs/dbraw/zinc/18/60/14/392186014.db2.gz BLHUIUXQDPKECV-AWEZNQCLSA-N 2 2 255.365 3.104 20 0 CGADLP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000070924164 392186019 /nfs/dbraw/zinc/18/60/19/392186019.db2.gz BLHUIUXQDPKECV-AWEZNQCLSA-N 2 2 255.365 3.104 20 0 CGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCC34CCC4)[nH]c2c1 ZINC000282074690 392280231 /nfs/dbraw/zinc/28/02/31/392280231.db2.gz HFZDKSNRAXUKCU-HNNXBMFYSA-N 2 2 269.392 3.418 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1(C)CCC1 ZINC000434764259 542656185 /nfs/dbraw/zinc/65/61/85/542656185.db2.gz ILICRZCEEZXXFY-UHFFFAOYSA-N 2 2 257.381 3.125 20 0 CGADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000237340346 131024967 /nfs/dbraw/zinc/02/49/67/131024967.db2.gz NDKVQVANQRNXCG-HNNXBMFYSA-N 2 2 279.387 3.270 20 0 CGADLP Cc1ccc(C)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109795606 392374136 /nfs/dbraw/zinc/37/41/36/392374136.db2.gz WWZURZRXPWPLIX-UHFFFAOYSA-N 2 2 269.392 3.337 20 0 CGADLP C[N@@H+]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287013453 392391924 /nfs/dbraw/zinc/39/19/24/392391924.db2.gz PRFPYUFXVNIVMP-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP C[N@H+]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287013453 392391931 /nfs/dbraw/zinc/39/19/31/392391931.db2.gz PRFPYUFXVNIVMP-UHFFFAOYSA-N 2 2 275.783 3.030 20 0 CGADLP CCC(CC)[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000288802062 392409720 /nfs/dbraw/zinc/40/97/20/392409720.db2.gz DCXFTLUODXPRRZ-UHFFFAOYSA-N 2 2 272.396 3.278 20 0 CGADLP CCC(CC)[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000288802062 392409721 /nfs/dbraw/zinc/40/97/21/392409721.db2.gz DCXFTLUODXPRRZ-UHFFFAOYSA-N 2 2 272.396 3.278 20 0 CGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000367057098 392463518 /nfs/dbraw/zinc/46/35/18/392463518.db2.gz FUDDWRQVDYTPMV-DOTOQJQBSA-N 2 2 287.451 3.182 20 0 CGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000367057098 392463526 /nfs/dbraw/zinc/46/35/26/392463526.db2.gz FUDDWRQVDYTPMV-DOTOQJQBSA-N 2 2 287.451 3.182 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000368099904 392486098 /nfs/dbraw/zinc/48/60/98/392486098.db2.gz GOJVLOMGRGNJPG-KGLIPLIRSA-N 2 2 261.413 3.216 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000368099904 392486106 /nfs/dbraw/zinc/48/61/06/392486106.db2.gz GOJVLOMGRGNJPG-KGLIPLIRSA-N 2 2 261.413 3.216 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000152117278 392496995 /nfs/dbraw/zinc/49/69/95/392496995.db2.gz NPLGFECBSOKEMZ-AWEZNQCLSA-N 2 2 271.408 3.456 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C/C=C/Cl)C1 ZINC000371679347 392544780 /nfs/dbraw/zinc/54/47/80/392544780.db2.gz MTGOAECSMMPASE-ZRJDUIELSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C/C=C/Cl)C1 ZINC000371679347 392544781 /nfs/dbraw/zinc/54/47/81/392544781.db2.gz MTGOAECSMMPASE-ZRJDUIELSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000371679347 392544787 /nfs/dbraw/zinc/54/47/87/392544787.db2.gz MTGOAECSMMPASE-ZRJDUIELSA-N 2 2 270.848 3.325 20 0 CGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000371679347 392544790 /nfs/dbraw/zinc/54/47/90/392544790.db2.gz MTGOAECSMMPASE-ZRJDUIELSA-N 2 2 270.848 3.325 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295892105 392551811 /nfs/dbraw/zinc/55/18/11/392551811.db2.gz IGNZNMDGPHHPNP-TZMCWYRMSA-N 2 2 293.842 3.186 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295892105 392551812 /nfs/dbraw/zinc/55/18/12/392551812.db2.gz IGNZNMDGPHHPNP-TZMCWYRMSA-N 2 2 293.842 3.186 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000158089873 392554531 /nfs/dbraw/zinc/55/45/31/392554531.db2.gz VNQBUCIFGPWDCW-AOIWGVFYSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000158089873 392554535 /nfs/dbraw/zinc/55/45/35/392554535.db2.gz VNQBUCIFGPWDCW-AOIWGVFYSA-N 2 2 299.462 3.238 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000158911897 392579200 /nfs/dbraw/zinc/57/92/00/392579200.db2.gz QLXMVDVZOXWQMV-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000158911897 392579203 /nfs/dbraw/zinc/57/92/03/392579203.db2.gz QLXMVDVZOXWQMV-GWCFXTLKSA-N 2 2 270.779 3.051 20 0 CGADLP CCOc1ccccc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161896679 392587720 /nfs/dbraw/zinc/58/77/20/392587720.db2.gz BGDMBSJUEURXMQ-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000161896679 392587724 /nfs/dbraw/zinc/58/77/24/392587724.db2.gz BGDMBSJUEURXMQ-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000161896679 392587727 /nfs/dbraw/zinc/58/77/27/392587727.db2.gz BGDMBSJUEURXMQ-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CCOc1ccccc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000161896679 392587731 /nfs/dbraw/zinc/58/77/31/392587731.db2.gz BGDMBSJUEURXMQ-INIZCTEOSA-N 2 2 276.424 3.001 20 0 CGADLP CCSCC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000372256937 392597261 /nfs/dbraw/zinc/59/72/61/392597261.db2.gz WNMAWBPFYMVQRB-UHFFFAOYSA-N 2 2 292.492 3.336 20 0 CGADLP CCSCC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000372256937 392597265 /nfs/dbraw/zinc/59/72/65/392597265.db2.gz WNMAWBPFYMVQRB-UHFFFAOYSA-N 2 2 292.492 3.336 20 0 CGADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)c(F)c1 ZINC000313282791 392665793 /nfs/dbraw/zinc/66/57/93/392665793.db2.gz NKTMWIMRXPORBC-JTQLQIEISA-N 2 2 281.762 3.106 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+]C[C@]1(C)CCCS1)c1ccccc1 ZINC000327586693 392673161 /nfs/dbraw/zinc/67/31/61/392673161.db2.gz GGIIMMQLCTZHJT-HOTGVXAUSA-N 2 2 278.465 3.165 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647291414 392643208 /nfs/dbraw/zinc/64/32/08/392643208.db2.gz OIBAUFQELNKHIZ-HFTRVMKXSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000647291414 392643214 /nfs/dbraw/zinc/64/32/14/392643214.db2.gz OIBAUFQELNKHIZ-HFTRVMKXSA-N 2 2 287.451 3.384 20 0 CGADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000372929353 392646667 /nfs/dbraw/zinc/64/66/67/392646667.db2.gz IQDRYFPTNJJXNP-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP CC(C)Oc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000372929353 392646678 /nfs/dbraw/zinc/64/66/78/392646678.db2.gz IQDRYFPTNJJXNP-INIZCTEOSA-N 2 2 299.418 3.197 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000647315809 392660272 /nfs/dbraw/zinc/66/02/72/392660272.db2.gz AOKVEPKCDUJDFI-HUUCEWRRSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1ccccc1C1([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000647315809 392660273 /nfs/dbraw/zinc/66/02/73/392660273.db2.gz AOKVEPKCDUJDFI-HUUCEWRRSA-N 2 2 270.420 3.199 20 0 CGADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1C ZINC000647553889 392767645 /nfs/dbraw/zinc/76/76/45/392767645.db2.gz MHLCYXIQCJHHAJ-INIZCTEOSA-N 2 2 258.409 3.068 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919280 392736334 /nfs/dbraw/zinc/73/63/34/392736334.db2.gz IWIHILKZCPDXOY-LVQVYYBASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919280 392736343 /nfs/dbraw/zinc/73/63/43/392736343.db2.gz IWIHILKZCPDXOY-LVQVYYBASA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919276 392736596 /nfs/dbraw/zinc/73/65/96/392736596.db2.gz IWIHILKZCPDXOY-FXUDXRNXSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000507919276 392736601 /nfs/dbraw/zinc/73/66/01/392736601.db2.gz IWIHILKZCPDXOY-FXUDXRNXSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534444 392755576 /nfs/dbraw/zinc/75/55/76/392755576.db2.gz NMEOUPVWMFEROO-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647534444 392755580 /nfs/dbraw/zinc/75/55/80/392755580.db2.gz NMEOUPVWMFEROO-IUODEOHRSA-N 2 2 298.352 3.198 20 0 CGADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000647549277 392762577 /nfs/dbraw/zinc/76/25/77/392762577.db2.gz QFTIKAZFPLRTIX-ZBFHGGJFSA-N 2 2 288.435 3.096 20 0 CGADLP Cc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccc2n1 ZINC000647553936 392766947 /nfs/dbraw/zinc/76/69/47/392766947.db2.gz NNIZVGBWXGZVCF-GOSISDBHSA-N 2 2 295.430 3.308 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(C)c1F ZINC000334326887 392720695 /nfs/dbraw/zinc/72/06/95/392720695.db2.gz BRIBSRSEPMOCSB-JSGCOSHPSA-N 2 2 287.382 3.374 20 0 CGADLP Cc1cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(C)c1F ZINC000334326887 392720699 /nfs/dbraw/zinc/72/06/99/392720699.db2.gz BRIBSRSEPMOCSB-JSGCOSHPSA-N 2 2 287.382 3.374 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187840452 392794672 /nfs/dbraw/zinc/79/46/72/392794672.db2.gz IRZMHFAJMRLMAZ-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187840452 392794674 /nfs/dbraw/zinc/79/46/74/392794674.db2.gz IRZMHFAJMRLMAZ-SQNIBIBYSA-N 2 2 272.436 3.181 20 0 CGADLP Clc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886010 392826403 /nfs/dbraw/zinc/82/64/03/392826403.db2.gz CLDLGDIIXZIOGK-SWLSCSKDSA-N 2 2 296.867 3.039 20 0 CGADLP Clc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886010 392826408 /nfs/dbraw/zinc/82/64/08/392826408.db2.gz CLDLGDIIXZIOGK-SWLSCSKDSA-N 2 2 296.867 3.039 20 0 CGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572297 392904480 /nfs/dbraw/zinc/90/44/80/392904480.db2.gz UMWDTWOUHONQAW-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572297 392904489 /nfs/dbraw/zinc/90/44/89/392904489.db2.gz UMWDTWOUHONQAW-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572297 392904494 /nfs/dbraw/zinc/90/44/94/392904494.db2.gz UMWDTWOUHONQAW-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000380572297 392904500 /nfs/dbraw/zinc/90/45/00/392904500.db2.gz UMWDTWOUHONQAW-BBRMVZONSA-N 2 2 298.858 3.034 20 0 CGADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000517023964 392867135 /nfs/dbraw/zinc/86/71/35/392867135.db2.gz GUSBKNKYHVMSMI-KBPBESRZSA-N 2 2 264.413 3.172 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC000376536565 392879011 /nfs/dbraw/zinc/87/90/11/392879011.db2.gz WZLGYTZFDUVVFO-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCCC1 ZINC000376536565 392879015 /nfs/dbraw/zinc/87/90/15/392879015.db2.gz WZLGYTZFDUVVFO-GOEBONIOSA-N 2 2 250.430 3.125 20 0 CGADLP Fc1ccc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)[nH]c2c1 ZINC000488531161 542714643 /nfs/dbraw/zinc/71/46/43/542714643.db2.gz YEFLBYJRLNSYMV-INIZCTEOSA-N 2 2 298.365 3.168 20 0 CGADLP Fc1ccc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)[nH]c2c1 ZINC000488531161 542714647 /nfs/dbraw/zinc/71/46/47/542714647.db2.gz YEFLBYJRLNSYMV-INIZCTEOSA-N 2 2 298.365 3.168 20 0 CGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000558698605 542757398 /nfs/dbraw/zinc/75/73/98/542757398.db2.gz PXBQDENRKNSRRQ-KSZLIROESA-N 2 2 281.403 3.210 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000545865859 393010106 /nfs/dbraw/zinc/01/01/06/393010106.db2.gz MHGMYJNTXFXZAP-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2cccc(F)c2)CC1 ZINC000545865859 393010115 /nfs/dbraw/zinc/01/01/15/393010115.db2.gz MHGMYJNTXFXZAP-MRXNPFEDSA-N 2 2 290.426 3.388 20 0 CGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCO1 ZINC000648438440 393017453 /nfs/dbraw/zinc/01/74/53/393017453.db2.gz HIWSRKAMNKNIAO-RCCFBDPRSA-N 2 2 290.451 3.145 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450136 393023726 /nfs/dbraw/zinc/02/37/26/393023726.db2.gz YVVJXUXAMRTHNH-WMLDXEAASA-N 2 2 298.430 3.438 20 0 CGADLP C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450136 393023730 /nfs/dbraw/zinc/02/37/30/393023730.db2.gz YVVJXUXAMRTHNH-WMLDXEAASA-N 2 2 298.430 3.438 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cc2c(s1)CCC2 ZINC000346807772 393094029 /nfs/dbraw/zinc/09/40/29/393094029.db2.gz MDZGIYDOAQSGKR-SCRDCRAPSA-N 2 2 278.465 3.370 20 0 CGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cc2c(s1)CCC2 ZINC000346807772 393094033 /nfs/dbraw/zinc/09/40/33/393094033.db2.gz MDZGIYDOAQSGKR-SCRDCRAPSA-N 2 2 278.465 3.370 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1C(F)(F)F ZINC000415043004 393109465 /nfs/dbraw/zinc/10/94/65/393109465.db2.gz RASZNEIWAOBIIL-CYBMUJFWSA-N 2 2 286.341 3.244 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000249307751 393103890 /nfs/dbraw/zinc/10/38/90/393103890.db2.gz UKTKBJIUXXLDLV-UKRRQHHQSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000249307751 393103898 /nfs/dbraw/zinc/10/38/98/393103898.db2.gz UKTKBJIUXXLDLV-UKRRQHHQSA-N 2 2 298.377 3.041 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000547333374 393106225 /nfs/dbraw/zinc/10/62/25/393106225.db2.gz GHFSHNPDWBPGNB-XYVMCAHJSA-N 2 2 272.436 3.110 20 0 CGADLP C[C@H]1[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC000547333374 393106233 /nfs/dbraw/zinc/10/62/33/393106233.db2.gz GHFSHNPDWBPGNB-XYVMCAHJSA-N 2 2 272.436 3.110 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000414957748 393064653 /nfs/dbraw/zinc/06/46/53/393064653.db2.gz OMJJPTNWETXZSS-MRXNPFEDSA-N 2 2 298.430 3.353 20 0 CGADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414961453 393067992 /nfs/dbraw/zinc/06/79/92/393067992.db2.gz VHFYUFUQGNHOTO-RYQLBKOJSA-N 2 2 270.420 3.042 20 0 CGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C1CCCC1 ZINC000415065183 393123580 /nfs/dbraw/zinc/12/35/80/393123580.db2.gz MEGOJQSUGWWSJV-CQSZACIVSA-N 2 2 270.779 3.086 20 0 CGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1 ZINC000415064741 393123957 /nfs/dbraw/zinc/12/39/57/393123957.db2.gz LJNUOVKJFZITJH-SFHVURJKSA-N 2 2 284.403 3.047 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000415070307 393128085 /nfs/dbraw/zinc/12/80/85/393128085.db2.gz UPQFHECYZNOJJY-KSZLIROESA-N 2 2 272.436 3.417 20 0 CGADLP CSc1cc(C)ccc1C[NH2+]CC[NH2+]C(C)(C)C ZINC000415082595 393136910 /nfs/dbraw/zinc/13/69/10/393136910.db2.gz MASBLJFXYWPARB-UHFFFAOYSA-N 2 2 266.454 3.195 20 0 CGADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415087386 393139243 /nfs/dbraw/zinc/13/92/43/393139243.db2.gz SZKVCNBXPLZJQK-SWLSCSKDSA-N 2 2 268.351 3.148 20 0 CGADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415087273 393139490 /nfs/dbraw/zinc/13/94/90/393139490.db2.gz SQUASMWHSBBHOK-GOEBONIOSA-N 2 2 276.424 3.124 20 0 CGADLP Cc1csc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415090667 393142988 /nfs/dbraw/zinc/14/29/88/393142988.db2.gz ZEKXQVMSHFFCPU-LSDHHAIUSA-N 2 2 287.432 3.034 20 0 CGADLP CC(C)(C)[NH2+]CC[NH2+]CCOc1cccc2ccccc21 ZINC000415093571 393143406 /nfs/dbraw/zinc/14/34/06/393143406.db2.gz VSXJRPXPUMWRMH-UHFFFAOYSA-N 2 2 286.419 3.196 20 0 CGADLP C[C@@H](C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000415120356 393151586 /nfs/dbraw/zinc/15/15/86/393151586.db2.gz GSCAKWXEZNGCGV-UCLAIMLFSA-N 2 2 298.405 3.356 20 0 CGADLP C[C@@H](C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000415120356 393151588 /nfs/dbraw/zinc/15/15/88/393151588.db2.gz GSCAKWXEZNGCGV-UCLAIMLFSA-N 2 2 298.405 3.356 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C(C)C)CCC2 ZINC000468553800 393152893 /nfs/dbraw/zinc/15/28/93/393152893.db2.gz LWPOOEDTZDNAQD-ARFHVFGLSA-N 2 2 275.440 3.483 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000415132305 393156609 /nfs/dbraw/zinc/15/66/09/393156609.db2.gz KVRDITFMCWXBPF-UHFFFAOYSA-N 2 2 266.772 3.128 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000415132305 393156614 /nfs/dbraw/zinc/15/66/14/393156614.db2.gz KVRDITFMCWXBPF-UHFFFAOYSA-N 2 2 266.772 3.128 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353606937 393228126 /nfs/dbraw/zinc/22/81/26/393228126.db2.gz FPUKHSBITRQWNA-JLNYLFASSA-N 2 2 261.413 3.071 20 0 CGADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353606937 393228129 /nfs/dbraw/zinc/22/81/29/393228129.db2.gz FPUKHSBITRQWNA-JLNYLFASSA-N 2 2 261.413 3.071 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nccc2ccccc21 ZINC000353674816 393229281 /nfs/dbraw/zinc/22/92/81/393229281.db2.gz XUNDREUXKOJUNE-DZGCQCFKSA-N 2 2 292.386 3.097 20 0 CGADLP CC(C)c1ccc(CC[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000469325409 393185369 /nfs/dbraw/zinc/18/53/69/393185369.db2.gz SSKBFUKFANCVHN-UHFFFAOYSA-N 2 2 262.441 3.282 20 0 CGADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000268925046 393209104 /nfs/dbraw/zinc/20/91/04/393209104.db2.gz KXCCYZBQZQAWLI-WMLDXEAASA-N 2 2 287.407 3.194 20 0 CGADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647206921 393386613 /nfs/dbraw/zinc/38/66/13/393386613.db2.gz LXBLSWUEUCRNSX-UHFFFAOYSA-N 2 2 274.399 3.276 20 0 CGADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647206921 393386616 /nfs/dbraw/zinc/38/66/16/393386616.db2.gz LXBLSWUEUCRNSX-UHFFFAOYSA-N 2 2 274.399 3.276 20 0 CGADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCCC2 ZINC000474057875 393338553 /nfs/dbraw/zinc/33/85/53/393338553.db2.gz NKCMUMQXARCPLB-MSOLQXFVSA-N 2 2 286.463 3.472 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC(F)(F)C3)n2c1 ZINC000281654693 393352225 /nfs/dbraw/zinc/35/22/25/393352225.db2.gz NEDRPGGVOHFWOX-LBPRGKRZSA-N 2 2 279.334 3.168 20 0 CGADLP CCc1ccc(-c2nc(C[N@H+](C)CCC[NH3+])cs2)cc1 ZINC000649410190 393413920 /nfs/dbraw/zinc/41/39/20/393413920.db2.gz XOHHSOMFKHBYQM-UHFFFAOYSA-N 2 2 289.448 3.153 20 0 CGADLP CCc1ccc(-c2nc(C[N@@H+](C)CCC[NH3+])cs2)cc1 ZINC000649410190 393413923 /nfs/dbraw/zinc/41/39/23/393413923.db2.gz XOHHSOMFKHBYQM-UHFFFAOYSA-N 2 2 289.448 3.153 20 0 CGADLP CC[C@@H]1C[N@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1[NH3+] ZINC000649416519 393416629 /nfs/dbraw/zinc/41/66/29/393416629.db2.gz CRENCCUHDNDODF-IUODEOHRSA-N 2 2 293.480 3.360 20 0 CGADLP CC[C@@H]1C[N@@H+](Cc2csc(C3CCCC3)n2)CC[C@H]1[NH3+] ZINC000649416519 393416636 /nfs/dbraw/zinc/41/66/36/393416636.db2.gz CRENCCUHDNDODF-IUODEOHRSA-N 2 2 293.480 3.360 20 0 CGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000420381193 393480832 /nfs/dbraw/zinc/48/08/32/393480832.db2.gz YZOADQVCZRFQOX-UUIJZJDISA-N 2 2 266.816 3.377 20 0 CGADLP CC(C)c1nc(N2C[C@H](C[NH3+])C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000420215029 393438808 /nfs/dbraw/zinc/43/88/08/393438808.db2.gz JPWKRYHBHXDRLF-STQMWFEESA-N 2 2 290.455 3.071 20 0 CGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCCCC1 ZINC000484467176 393445398 /nfs/dbraw/zinc/44/53/98/393445398.db2.gz NKAZCHFJHLEKOV-CVEARBPZSA-N 2 2 284.513 3.372 20 0 CGADLP CC(C)[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000487072159 393448065 /nfs/dbraw/zinc/44/80/65/393448065.db2.gz WMGUEAVMMUGIHQ-AWEZNQCLSA-N 2 2 275.421 3.073 20 0 CGADLP CC(C)[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000487072159 393448071 /nfs/dbraw/zinc/44/80/71/393448071.db2.gz WMGUEAVMMUGIHQ-AWEZNQCLSA-N 2 2 275.421 3.073 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000486856000 393448977 /nfs/dbraw/zinc/44/89/77/393448977.db2.gz NKMOZMAWTUZCJM-SPUZQDLCSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000486856000 393448981 /nfs/dbraw/zinc/44/89/81/393448981.db2.gz NKMOZMAWTUZCJM-SPUZQDLCSA-N 2 2 272.436 3.253 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653544 393464640 /nfs/dbraw/zinc/46/46/40/393464640.db2.gz SKHZHWGZOGEFDN-OCCSQVGLSA-N 2 2 280.362 3.209 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000428653544 393464646 /nfs/dbraw/zinc/46/46/46/393464646.db2.gz SKHZHWGZOGEFDN-OCCSQVGLSA-N 2 2 280.362 3.209 20 0 CGADLP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000356512024 393468676 /nfs/dbraw/zinc/46/86/76/393468676.db2.gz YHNGKDYVGLIHET-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000356512024 393468682 /nfs/dbraw/zinc/46/86/82/393468682.db2.gz YHNGKDYVGLIHET-MRXNPFEDSA-N 3 2 277.456 3.033 20 0 CGADLP Cc1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)on2)cc1 ZINC000420359356 393472121 /nfs/dbraw/zinc/47/21/21/393472121.db2.gz JWSSVCNZQMWLOA-QGZVFWFLSA-N 2 2 299.418 3.128 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000488365889 393497165 /nfs/dbraw/zinc/49/71/65/393497165.db2.gz JUNDRXXMZBDLGO-MCIONIFRSA-N 2 2 264.438 3.131 20 0 CGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488404533 393500854 /nfs/dbraw/zinc/50/08/54/393500854.db2.gz GHBLDYQPCBDFSD-KFWWJZLASA-N 2 2 284.513 3.228 20 0 CGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488404533 393500858 /nfs/dbraw/zinc/50/08/58/393500858.db2.gz GHBLDYQPCBDFSD-KFWWJZLASA-N 2 2 284.513 3.228 20 0 CGADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430016680 393511970 /nfs/dbraw/zinc/51/19/70/393511970.db2.gz QWPDBYDFWRFJBF-UHFFFAOYSA-N 2 2 296.842 3.170 20 0 CGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)c1cccc(OC)c1 ZINC000488439719 393513187 /nfs/dbraw/zinc/51/31/87/393513187.db2.gz OLGDOIPVRXFADO-YXJHDRRASA-N 2 2 290.451 3.324 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000359084783 393535919 /nfs/dbraw/zinc/53/59/19/393535919.db2.gz IAYOWNUVWRXNGL-LZWOXQAQSA-N 2 2 250.430 3.051 20 0 CGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000359084783 393535924 /nfs/dbraw/zinc/53/59/24/393535924.db2.gz IAYOWNUVWRXNGL-LZWOXQAQSA-N 2 2 250.430 3.051 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488557818 393538088 /nfs/dbraw/zinc/53/80/88/393538088.db2.gz KQSFVAUDLBGGLA-KBAYOESNSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488557818 393538094 /nfs/dbraw/zinc/53/80/94/393538094.db2.gz KQSFVAUDLBGGLA-KBAYOESNSA-N 2 2 272.436 3.287 20 0 CGADLP C[C@H]1C[C@H](C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966729 393567475 /nfs/dbraw/zinc/56/74/75/393567475.db2.gz ANOPLUWUHWDPRK-DLBZAZTESA-N 2 2 296.499 3.388 20 0 CGADLP C[C@H]1C[C@H](C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000488966729 393567477 /nfs/dbraw/zinc/56/74/77/393567477.db2.gz ANOPLUWUHWDPRK-DLBZAZTESA-N 2 2 296.499 3.388 20 0 CGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCOC1 ZINC000649755307 393573682 /nfs/dbraw/zinc/57/36/82/393573682.db2.gz KMINLLFRGJIVFJ-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H]1CCCOC1 ZINC000649755307 393573685 /nfs/dbraw/zinc/57/36/85/393573685.db2.gz KMINLLFRGJIVFJ-SFHVURJKSA-N 2 2 299.418 3.182 20 0 CGADLP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000430557713 393574890 /nfs/dbraw/zinc/57/48/90/393574890.db2.gz OKIFWBQYNBUEBE-CYBMUJFWSA-N 2 2 273.207 3.210 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360545083 393570399 /nfs/dbraw/zinc/57/03/99/393570399.db2.gz LIZPFRXCLZTVQS-JKSUJKDBSA-N 2 2 280.362 3.101 20 0 CGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360545083 393570403 /nfs/dbraw/zinc/57/04/03/393570403.db2.gz LIZPFRXCLZTVQS-JKSUJKDBSA-N 2 2 280.362 3.101 20 0 CGADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c2ncccc12 ZINC000666768498 542814630 /nfs/dbraw/zinc/81/46/30/542814630.db2.gz HEGGGYXDXGEQKB-ZDUSSCGKSA-N 2 2 289.810 3.120 20 0 CGADLP CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360844703 393598078 /nfs/dbraw/zinc/59/80/78/393598078.db2.gz GMFKJASABAMPOT-UHFFFAOYSA-N 2 2 275.440 3.072 20 0 CGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2cccs2)n1 ZINC000430582624 393578988 /nfs/dbraw/zinc/57/89/88/393578988.db2.gz KQSPSYVAWFPYHW-CQSZACIVSA-N 2 2 295.477 3.335 20 0 CGADLP CCCCc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430576452 393579129 /nfs/dbraw/zinc/57/91/29/393579129.db2.gz XINSSHYOMCNKRS-OLZOCXBDSA-N 2 2 281.469 3.045 20 0 CGADLP CCCCc1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430576452 393579133 /nfs/dbraw/zinc/57/91/33/393579133.db2.gz XINSSHYOMCNKRS-OLZOCXBDSA-N 2 2 281.469 3.045 20 0 CGADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000360769882 393585708 /nfs/dbraw/zinc/58/57/08/393585708.db2.gz CUEBKTXEZFLNLA-KFWWJZLASA-N 2 2 271.408 3.496 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC000360988478 393631131 /nfs/dbraw/zinc/63/11/31/393631131.db2.gz YUIQXVTVDFUPQU-OCCSQVGLSA-N 2 2 281.469 3.223 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC000360988478 393631135 /nfs/dbraw/zinc/63/11/35/393631135.db2.gz YUIQXVTVDFUPQU-OCCSQVGLSA-N 2 2 281.469 3.223 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000432789444 393639324 /nfs/dbraw/zinc/63/93/24/393639324.db2.gz SACDDPBWMITXDW-LLCTXKFZSA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000432789444 393639326 /nfs/dbraw/zinc/63/93/26/393639326.db2.gz SACDDPBWMITXDW-LLCTXKFZSA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000432789443 393639543 /nfs/dbraw/zinc/63/95/43/393639543.db2.gz SACDDPBWMITXDW-IMMZDGJCSA-N 2 2 294.389 3.394 20 0 CGADLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000432789443 393639546 /nfs/dbraw/zinc/63/95/46/393639546.db2.gz SACDDPBWMITXDW-IMMZDGJCSA-N 2 2 294.389 3.394 20 0 CGADLP C[C@H]([NH2+][C@H]1CCCc2c(F)cccc21)[C@H]1CCCC[NH2+]1 ZINC000423147699 393652043 /nfs/dbraw/zinc/65/20/43/393652043.db2.gz SRFOFPVHAKTWDB-VUCTXSBTSA-N 2 2 276.399 3.323 20 0 CGADLP CC[C@@H](C)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043490 393653416 /nfs/dbraw/zinc/65/34/16/393653416.db2.gz DWTFKXUSXBCYOP-OAHLLOKOSA-N 2 2 263.429 3.421 20 0 CGADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177903 393653561 /nfs/dbraw/zinc/65/35/61/393653561.db2.gz BFFLIGBOYYBNOU-QMTHXVAHSA-N 2 2 285.218 3.322 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cc(F)ccc1F ZINC000423266023 393657951 /nfs/dbraw/zinc/65/79/51/393657951.db2.gz ROURLNHDRABSDO-IUODEOHRSA-N 2 2 270.367 3.379 20 0 CGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000491054581 393664770 /nfs/dbraw/zinc/66/47/70/393664770.db2.gz QRNYVICWPYGCCB-GOEBONIOSA-N 2 2 280.481 3.343 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423394005 393665391 /nfs/dbraw/zinc/66/53/91/393665391.db2.gz ZERALAUCLNPZJJ-BXUZGUMPSA-N 2 2 282.815 3.141 20 0 CGADLP CC[C@@H](C[NH2+][C@@H]1CCCc2ccc(O)cc21)[NH+]1CCCC1 ZINC000361078162 393667390 /nfs/dbraw/zinc/66/73/90/393667390.db2.gz GHAXITIRSMDXDC-MAUKXSAKSA-N 2 2 288.435 3.234 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423458138 393668518 /nfs/dbraw/zinc/66/85/18/393668518.db2.gz GJSPAAKENRPBNF-GFCCVEGCSA-N 2 2 252.361 3.083 20 0 CGADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000423475782 393669794 /nfs/dbraw/zinc/66/97/94/393669794.db2.gz SCCNSMQXAHUWSW-PWSUYJOCSA-N 2 2 270.829 3.204 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361099024 393672603 /nfs/dbraw/zinc/67/26/03/393672603.db2.gz VFRFIDRISPLAMC-HZSPNIEDSA-N 2 2 295.496 3.470 20 0 CGADLP Cc1nc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000361099024 393672604 /nfs/dbraw/zinc/67/26/04/393672604.db2.gz VFRFIDRISPLAMC-HZSPNIEDSA-N 2 2 295.496 3.470 20 0 CGADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948046 542828343 /nfs/dbraw/zinc/82/83/43/542828343.db2.gz RKFJXUITLQOMNT-BPUTZDHNSA-N 2 2 278.415 3.032 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447602388 393865835 /nfs/dbraw/zinc/86/58/35/393865835.db2.gz SHQVWCATYKDGIK-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447602388 393865838 /nfs/dbraw/zinc/86/58/38/393865838.db2.gz SHQVWCATYKDGIK-JKSUJKDBSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000449283840 393877474 /nfs/dbraw/zinc/87/74/74/393877474.db2.gz MUVFSRFRTWHINP-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000449283840 393877479 /nfs/dbraw/zinc/87/74/79/393877479.db2.gz MUVFSRFRTWHINP-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C[N@@H+]1C1CC1 ZINC000449595758 393917224 /nfs/dbraw/zinc/91/72/24/393917224.db2.gz VJGKGZYCGWAYHD-KBXCAEBGSA-N 2 2 284.447 3.149 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C[N@H+]1C1CC1 ZINC000449595758 393917226 /nfs/dbraw/zinc/91/72/26/393917226.db2.gz VJGKGZYCGWAYHD-KBXCAEBGSA-N 2 2 284.447 3.149 20 0 CGADLP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450286187 393993574 /nfs/dbraw/zinc/99/35/74/393993574.db2.gz LOTNWPKQONKQLM-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH+]1C(C)C ZINC000450286187 393993577 /nfs/dbraw/zinc/99/35/77/393993577.db2.gz LOTNWPKQONKQLM-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450286187 393993582 /nfs/dbraw/zinc/99/35/82/393993582.db2.gz LOTNWPKQONKQLM-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[C@@H]1CCC[NH+]1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450286187 393993585 /nfs/dbraw/zinc/99/35/85/393993585.db2.gz LOTNWPKQONKQLM-CVEARBPZSA-N 2 2 252.446 3.370 20 0 CGADLP CC(C)[N@@H+]1CCCC[C@H]1Cn1c[nH+]c2c1CCCC2 ZINC000451192917 394043106 /nfs/dbraw/zinc/04/31/06/394043106.db2.gz LBJWNIDKHMQKQP-AWEZNQCLSA-N 2 2 261.413 3.025 20 0 CGADLP CC(C)[N@H+]1CCCC[C@H]1Cn1c[nH+]c2c1CCCC2 ZINC000451192917 394043108 /nfs/dbraw/zinc/04/31/08/394043108.db2.gz LBJWNIDKHMQKQP-AWEZNQCLSA-N 2 2 261.413 3.025 20 0 CGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453064841 394158286 /nfs/dbraw/zinc/15/82/86/394158286.db2.gz UOQRXDVMKCVDIX-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453064841 394158289 /nfs/dbraw/zinc/15/82/89/394158289.db2.gz UOQRXDVMKCVDIX-XJKSGUPXSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081892 394165333 /nfs/dbraw/zinc/16/53/33/394165333.db2.gz KKJFXAWRUJIWTC-HOTGVXAUSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccsc1 ZINC000453081892 394165336 /nfs/dbraw/zinc/16/53/36/394165336.db2.gz KKJFXAWRUJIWTC-HOTGVXAUSA-N 2 2 296.480 3.146 20 0 CGADLP CC[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+]1CCCC1 ZINC000453098868 394170777 /nfs/dbraw/zinc/17/07/77/394170777.db2.gz XHZFJLXBPZNBRQ-HOTGVXAUSA-N 2 2 250.430 3.029 20 0 CGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccncc1 ZINC000453101786 394171410 /nfs/dbraw/zinc/17/14/10/394171410.db2.gz ZJVRKKAGCUXTJV-MRXNPFEDSA-N 2 2 280.375 3.013 20 0 CGADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453192886 394201366 /nfs/dbraw/zinc/20/13/66/394201366.db2.gz GZKPLUVJCRRODI-QGZVFWFLSA-N 2 2 287.451 3.034 20 0 CGADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453192886 394201369 /nfs/dbraw/zinc/20/13/69/394201369.db2.gz GZKPLUVJCRRODI-QGZVFWFLSA-N 2 2 287.451 3.034 20 0 CGADLP CC[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453231990 394213750 /nfs/dbraw/zinc/21/37/50/394213750.db2.gz IWOKNGYREOWFPK-LLVKDONJSA-N 2 2 263.772 3.414 20 0 CGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cc2c(c[nH+]1)CCCC2 ZINC000453246572 394218736 /nfs/dbraw/zinc/21/87/36/394218736.db2.gz VOPQVOMRKLDRNF-GFCCVEGCSA-N 2 2 270.380 3.350 20 0 CGADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000453613842 394258373 /nfs/dbraw/zinc/25/83/73/394258373.db2.gz PDYXPTQIPBUNKI-ZBFHGGJFSA-N 2 2 257.381 3.249 20 0 CGADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C)cc1 ZINC000667503175 542879934 /nfs/dbraw/zinc/87/99/34/542879934.db2.gz BOUYOXAAVQNPTC-UHFFFAOYSA-N 2 2 257.381 3.059 20 0 CGADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C)cc1 ZINC000667503175 542879936 /nfs/dbraw/zinc/87/99/36/542879936.db2.gz BOUYOXAAVQNPTC-UHFFFAOYSA-N 2 2 257.381 3.059 20 0 CGADLP Fc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1F ZINC000667564512 542890536 /nfs/dbraw/zinc/89/05/36/542890536.db2.gz OIFSNFRSFOXFDW-UHFFFAOYSA-N 2 2 295.308 3.207 20 0 CGADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667571026 542892104 /nfs/dbraw/zinc/89/21/04/542892104.db2.gz LXQDBBCCMDYMAD-UHFFFAOYSA-N 2 2 289.448 3.259 20 0 CGADLP c1[nH+]c2n(c1C[N@@H+]1CCS[C@@H](c3ccccc3)C1)CCC2 ZINC000667643109 542902846 /nfs/dbraw/zinc/90/28/46/542902846.db2.gz UWKCVPQGUGJOEB-MRXNPFEDSA-N 2 2 299.443 3.119 20 0 CGADLP c1[nH+]c2n(c1C[N@H+]1CCS[C@@H](c3ccccc3)C1)CCC2 ZINC000667643109 542902850 /nfs/dbraw/zinc/90/28/50/542902850.db2.gz UWKCVPQGUGJOEB-MRXNPFEDSA-N 2 2 299.443 3.119 20 0 CGADLP CCCCC[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667706840 542921214 /nfs/dbraw/zinc/92/12/14/542921214.db2.gz JMSZWMUBBCVEJX-AWEZNQCLSA-N 2 2 261.413 3.374 20 0 CGADLP CCCCC[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667706840 542921215 /nfs/dbraw/zinc/92/12/15/542921215.db2.gz JMSZWMUBBCVEJX-AWEZNQCLSA-N 2 2 261.413 3.374 20 0 CGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCCC12CC2 ZINC000667715001 542921753 /nfs/dbraw/zinc/92/17/53/542921753.db2.gz ZJJJVGHPCXXGBT-SFHVURJKSA-N 2 2 299.462 3.491 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[nH]c2c1 ZINC000667947286 542948476 /nfs/dbraw/zinc/94/84/76/542948476.db2.gz LMRMDGORPMTWKQ-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)[nH]c2c1 ZINC000667947286 542948479 /nfs/dbraw/zinc/94/84/79/542948479.db2.gz LMRMDGORPMTWKQ-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)[nH]c2c1 ZINC000667947286 542948485 /nfs/dbraw/zinc/94/84/85/542948485.db2.gz LMRMDGORPMTWKQ-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)[nH]c2c1 ZINC000667947286 542948489 /nfs/dbraw/zinc/94/84/89/542948489.db2.gz LMRMDGORPMTWKQ-KDOFPFPSSA-N 2 2 283.419 3.002 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668106925 542971715 /nfs/dbraw/zinc/97/17/15/542971715.db2.gz PTDBBHCNIYVIFW-SFHVURJKSA-N 2 2 299.393 3.208 20 0 CGADLP Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668106925 542971719 /nfs/dbraw/zinc/97/17/19/542971719.db2.gz PTDBBHCNIYVIFW-SFHVURJKSA-N 2 2 299.393 3.208 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2CCC=C(c3ccccc3)C2)n1C ZINC000668114708 542972943 /nfs/dbraw/zinc/97/29/43/542972943.db2.gz APTBJTGPCVEVAY-UHFFFAOYSA-N 2 2 267.376 3.018 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2CCC=C(c3ccccc3)C2)n1C ZINC000668114708 542972946 /nfs/dbraw/zinc/97/29/46/542972946.db2.gz APTBJTGPCVEVAY-UHFFFAOYSA-N 2 2 267.376 3.018 20 0 CGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1C ZINC000668143131 542975475 /nfs/dbraw/zinc/97/54/75/542975475.db2.gz NDEPTWBIRDHOHJ-IPMKNSEASA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1C ZINC000668143131 542975478 /nfs/dbraw/zinc/97/54/78/542975478.db2.gz NDEPTWBIRDHOHJ-IPMKNSEASA-N 2 2 295.430 3.497 20 0 CGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)CSc2ccccc2)n1C ZINC000668281594 543001205 /nfs/dbraw/zinc/00/12/05/543001205.db2.gz ZJXSDQBQRGJFRW-ZDUSSCGKSA-N 2 2 289.448 3.341 20 0 CGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)CSc2ccccc2)n1C ZINC000668281594 543001207 /nfs/dbraw/zinc/00/12/07/543001207.db2.gz ZJXSDQBQRGJFRW-ZDUSSCGKSA-N 2 2 289.448 3.341 20 0 CGADLP CC[C@H](COCC1CC1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668458966 543015545 /nfs/dbraw/zinc/01/55/45/543015545.db2.gz NLAGQWUWVHRXIN-QGZVFWFLSA-N 2 2 276.424 3.117 20 0 CGADLP CCC(CC)CCC[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668713470 543049014 /nfs/dbraw/zinc/04/90/14/543049014.db2.gz QOFVEVFYGKATRN-UHFFFAOYSA-N 2 2 251.418 3.377 20 0 CGADLP CCC(CC)CCC[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668713470 543049016 /nfs/dbraw/zinc/04/90/16/543049016.db2.gz QOFVEVFYGKATRN-UHFFFAOYSA-N 2 2 251.418 3.377 20 0 CGADLP C[C@@H](CCCCO)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000669618777 543112820 /nfs/dbraw/zinc/11/28/20/543112820.db2.gz HERDGBCNFBVRQQ-KRWDZBQOSA-N 2 2 296.499 3.173 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000352904051 397686151 /nfs/dbraw/zinc/68/61/51/397686151.db2.gz RALJTMJFMKFUQQ-HNLJFRNMSA-N 2 2 262.441 3.028 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000352904051 397686153 /nfs/dbraw/zinc/68/61/53/397686153.db2.gz RALJTMJFMKFUQQ-HNLJFRNMSA-N 2 2 262.441 3.028 20 0 CGADLP Cn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000419743233 397700475 /nfs/dbraw/zinc/70/04/75/397700475.db2.gz PEOAFWBGASHLLG-UHFFFAOYSA-N 2 2 295.390 3.108 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674304088 543280397 /nfs/dbraw/zinc/28/03/97/543280397.db2.gz QATYYDGBEOLXPB-GOEBONIOSA-N 2 2 285.391 3.290 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674304088 543280399 /nfs/dbraw/zinc/28/03/99/543280399.db2.gz QATYYDGBEOLXPB-GOEBONIOSA-N 2 2 285.391 3.290 20 0 CGADLP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000674304013 543280563 /nfs/dbraw/zinc/28/05/63/543280563.db2.gz IUMFBYZXKLOXKI-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000674304013 543280566 /nfs/dbraw/zinc/28/05/66/543280566.db2.gz IUMFBYZXKLOXKI-GOEBONIOSA-N 2 2 276.424 3.219 20 0 CGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000650743092 397904744 /nfs/dbraw/zinc/90/47/44/397904744.db2.gz LWVBGFKZKKIQLB-BYCMXARLSA-N 2 2 250.361 3.007 20 0 CGADLP CC[C@H](OCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742176 397904758 /nfs/dbraw/zinc/90/47/58/397904758.db2.gz SINOBCWFLJOGTE-JQHSSLGASA-N 2 2 290.451 3.275 20 0 CGADLP CC[C@H](OCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000650742178 397905163 /nfs/dbraw/zinc/90/51/63/397905163.db2.gz SINOBCWFLJOGTE-NJAFHUGGSA-N 2 2 290.451 3.275 20 0 CGADLP COC1([C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)CCCC1 ZINC000421800300 292133628 /nfs/dbraw/zinc/13/36/28/292133628.db2.gz HEIAXUSNBHTHSG-OAHLLOKOSA-N 2 2 282.472 3.188 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000675288843 543326251 /nfs/dbraw/zinc/32/62/51/543326251.db2.gz RPSVIGSQCLOXPY-QGZVFWFLSA-N 2 2 281.403 3.101 20 0 CGADLP Cc1cc[nH+]c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000675288843 543326253 /nfs/dbraw/zinc/32/62/53/543326253.db2.gz RPSVIGSQCLOXPY-QGZVFWFLSA-N 2 2 281.403 3.101 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000675245393 543324436 /nfs/dbraw/zinc/32/44/36/543324436.db2.gz BQGCAAVKJJYKQU-PJPHBNEVSA-N 2 2 281.403 3.345 20 0 CGADLP c1[nH+]c2ccccn2c1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000675245393 543324437 /nfs/dbraw/zinc/32/44/37/543324437.db2.gz BQGCAAVKJJYKQU-PJPHBNEVSA-N 2 2 281.403 3.345 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765453 543361765 /nfs/dbraw/zinc/36/17/65/543361765.db2.gz GXPMCJJVCYXFBG-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2ccncc2)c1 ZINC000675765453 543361768 /nfs/dbraw/zinc/36/17/68/543361768.db2.gz GXPMCJJVCYXFBG-HNAYVOBHSA-N 2 2 295.430 3.493 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766918 543362185 /nfs/dbraw/zinc/36/21/85/543362185.db2.gz QSNFHMJUPCWUKH-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766918 543362187 /nfs/dbraw/zinc/36/21/87/543362187.db2.gz QSNFHMJUPCWUKH-QZTJIDSGSA-N 2 2 274.452 3.328 20 0 CGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802058 543366294 /nfs/dbraw/zinc/36/62/94/543366294.db2.gz HRANLSLQRUBFKK-CRAIPNDOSA-N 2 2 296.414 3.317 20 0 CGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000675802058 543366297 /nfs/dbraw/zinc/36/62/97/543366297.db2.gz HRANLSLQRUBFKK-CRAIPNDOSA-N 2 2 296.414 3.317 20 0 CGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129899 543434632 /nfs/dbraw/zinc/43/46/32/543434632.db2.gz GTTMCXCISRPVGH-YKJXYISPSA-N 2 2 292.373 3.024 20 0 CGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677129899 543434635 /nfs/dbraw/zinc/43/46/35/543434635.db2.gz GTTMCXCISRPVGH-YKJXYISPSA-N 2 2 292.373 3.024 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000677424765 543448759 /nfs/dbraw/zinc/44/87/59/543448759.db2.gz KLBQWTAIGQBEON-CQSZACIVSA-N 2 2 266.816 3.141 20 0 CGADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000677424765 543448762 /nfs/dbraw/zinc/44/87/62/543448762.db2.gz KLBQWTAIGQBEON-CQSZACIVSA-N 2 2 266.816 3.141 20 0 CGADLP C[N@@H+](Cc1cscc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000678153086 543488981 /nfs/dbraw/zinc/48/89/81/543488981.db2.gz ALALDWRFCZIBHZ-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@H+](Cc1cscc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000678153086 543488983 /nfs/dbraw/zinc/48/89/83/543488983.db2.gz ALALDWRFCZIBHZ-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cscc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000678153086 543488986 /nfs/dbraw/zinc/48/89/86/543488986.db2.gz ALALDWRFCZIBHZ-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[NH+](Cc1cscc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000678153086 543488988 /nfs/dbraw/zinc/48/89/88/543488988.db2.gz ALALDWRFCZIBHZ-NSHDSACASA-N 2 2 272.845 3.175 20 0 CGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079277 543482144 /nfs/dbraw/zinc/48/21/44/543482144.db2.gz UBDVKAHDODLROE-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079277 543482146 /nfs/dbraw/zinc/48/21/46/543482146.db2.gz UBDVKAHDODLROE-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079277 543482148 /nfs/dbraw/zinc/48/21/48/543482148.db2.gz UBDVKAHDODLROE-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678079277 543482149 /nfs/dbraw/zinc/48/21/49/543482149.db2.gz UBDVKAHDODLROE-HZPDHXFCSA-N 2 2 262.372 3.057 20 0 CGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000678235559 543498945 /nfs/dbraw/zinc/49/89/45/543498945.db2.gz VZROATUDGXBZAW-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000678235559 543498946 /nfs/dbraw/zinc/49/89/46/543498946.db2.gz VZROATUDGXBZAW-KRWDZBQOSA-N 2 2 269.392 3.337 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000678883145 543569154 /nfs/dbraw/zinc/56/91/54/543569154.db2.gz QFNJAVWWHHHEKW-ZDUSSCGKSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000678883145 543569158 /nfs/dbraw/zinc/56/91/58/543569158.db2.gz QFNJAVWWHHHEKW-ZDUSSCGKSA-N 2 2 273.355 3.032 20 0 CGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678925735 543572476 /nfs/dbraw/zinc/57/24/76/543572476.db2.gz CGIBDBRJLXNJFM-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678925735 543572479 /nfs/dbraw/zinc/57/24/79/543572479.db2.gz CGIBDBRJLXNJFM-SUMWQHHRSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678925733 543572498 /nfs/dbraw/zinc/57/24/98/543572498.db2.gz CGIBDBRJLXNJFM-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000678925733 543572501 /nfs/dbraw/zinc/57/25/01/543572501.db2.gz CGIBDBRJLXNJFM-DYVFJYSZSA-N 2 2 276.399 3.135 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C12CCCCC2 ZINC000087300607 286281290 /nfs/dbraw/zinc/28/12/90/286281290.db2.gz GGTFDEBLZOLGRQ-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C12CCCCC2 ZINC000087300607 286281293 /nfs/dbraw/zinc/28/12/93/286281293.db2.gz GGTFDEBLZOLGRQ-HZPDHXFCSA-N 2 2 282.472 3.044 20 0 CGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000227286635 286390508 /nfs/dbraw/zinc/39/05/08/286390508.db2.gz UXLFZWCEKREFIX-IXDOHACOSA-N 2 2 290.451 3.083 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000556244570 289380882 /nfs/dbraw/zinc/38/08/82/289380882.db2.gz DIVJKAFXSBJTMT-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000556244570 289380883 /nfs/dbraw/zinc/38/08/83/289380883.db2.gz DIVJKAFXSBJTMT-OAHLLOKOSA-N 2 2 250.430 3.197 20 0 CGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017928 543583263 /nfs/dbraw/zinc/58/32/63/543583263.db2.gz ZNUIXWXNCKLOEV-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000679017928 543583265 /nfs/dbraw/zinc/58/32/65/543583265.db2.gz ZNUIXWXNCKLOEV-GUYCJALGSA-N 2 2 288.410 3.277 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(C)ccc1OC ZINC000423548535 286931410 /nfs/dbraw/zinc/93/14/10/286931410.db2.gz GRLNGWBSCOWNNV-GOEBONIOSA-N 2 2 276.424 3.186 20 0 CGADLP C[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CCSCC1 ZINC000354354213 287028451 /nfs/dbraw/zinc/02/84/51/287028451.db2.gz XQUVHLGRAZFTJG-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP C[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CCSCC1 ZINC000354354213 287028454 /nfs/dbraw/zinc/02/84/54/287028454.db2.gz XQUVHLGRAZFTJG-QLFBSQMISA-N 2 2 284.513 3.371 20 0 CGADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000086697484 287083650 /nfs/dbraw/zinc/08/36/50/287083650.db2.gz KLVVCYYSWICTLX-RHSMWYFYSA-N 2 2 287.407 3.194 20 0 CGADLP c1ccc(N2CCC([NH2+]CC(C3CC3)C3CC3)CC2)[nH+]c1 ZINC000088456049 287086746 /nfs/dbraw/zinc/08/67/46/287086746.db2.gz HSUQVPZBLJUTSO-UHFFFAOYSA-N 2 2 285.435 3.076 20 0 CGADLP CC[C@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000078463160 165134029 /nfs/dbraw/zinc/13/40/29/165134029.db2.gz UOXNTEBZNFKQAL-QGZVFWFLSA-N 2 2 296.418 3.058 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081556667 165163549 /nfs/dbraw/zinc/16/35/49/165163549.db2.gz HRGVUXUPRYBOIX-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081556667 165163555 /nfs/dbraw/zinc/16/35/55/165163555.db2.gz HRGVUXUPRYBOIX-BPQIPLTHSA-N 2 2 272.436 3.429 20 0 CGADLP CC1CCC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000089555135 165211516 /nfs/dbraw/zinc/21/15/16/165211516.db2.gz HLCPECJQYLNHDT-UHFFFAOYSA-N 2 2 287.451 3.214 20 0 CGADLP Cc1ccc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648370 165305176 /nfs/dbraw/zinc/30/51/76/165305176.db2.gz BQXYRCHQAINUTL-UHFFFAOYSA-N 2 2 273.355 3.168 20 0 CGADLP c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016524 165319821 /nfs/dbraw/zinc/31/98/21/165319821.db2.gz LYMGPFDWTZTMFB-INIZCTEOSA-N 2 2 276.424 3.368 20 0 CGADLP c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000093016524 165319823 /nfs/dbraw/zinc/31/98/23/165319823.db2.gz LYMGPFDWTZTMFB-INIZCTEOSA-N 2 2 276.424 3.368 20 0 CGADLP Fc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000135440477 165440294 /nfs/dbraw/zinc/44/02/94/165440294.db2.gz GXPQYUJONWEGCD-UHFFFAOYSA-N 2 2 284.806 3.445 20 0 CGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2F)C1 ZINC000093741929 287118608 /nfs/dbraw/zinc/11/86/08/287118608.db2.gz IYMBCEZBBWEPGS-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccc2F)C1 ZINC000093741929 287118609 /nfs/dbraw/zinc/11/86/09/287118609.db2.gz IYMBCEZBBWEPGS-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC000093741929 287118610 /nfs/dbraw/zinc/11/86/10/287118610.db2.gz IYMBCEZBBWEPGS-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC000093741929 287118612 /nfs/dbraw/zinc/11/86/12/287118612.db2.gz IYMBCEZBBWEPGS-HNNXBMFYSA-N 2 2 278.415 3.298 20 0 CGADLP CCc1nc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000119444314 287169498 /nfs/dbraw/zinc/16/94/98/287169498.db2.gz TZNAOGITLSNVEQ-ZDUSSCGKSA-N 2 2 281.469 3.232 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000123011980 287215012 /nfs/dbraw/zinc/21/50/12/287215012.db2.gz VWGDSVQJTYZLNH-IPYPFGDCSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCCC1 ZINC000123011980 287215014 /nfs/dbraw/zinc/21/50/14/287215014.db2.gz VWGDSVQJTYZLNH-IPYPFGDCSA-N 2 2 250.430 3.170 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000124504158 287234210 /nfs/dbraw/zinc/23/42/10/287234210.db2.gz KBZFQKUWCSJLIL-VHSXEESVSA-N 2 2 273.207 3.305 20 0 CGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000124504158 287234211 /nfs/dbraw/zinc/23/42/11/287234211.db2.gz KBZFQKUWCSJLIL-VHSXEESVSA-N 2 2 273.207 3.305 20 0 CGADLP CC1(C)CC([NH2+]Cc2c(F)cccc2F)CC(C)(C)[NH2+]1 ZINC000020143094 171029162 /nfs/dbraw/zinc/02/91/62/171029162.db2.gz RUSWSZSRTOSYPR-UHFFFAOYSA-N 2 2 282.378 3.364 20 0 CGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccco1 ZINC000020186687 171050765 /nfs/dbraw/zinc/05/07/65/171050765.db2.gz QJOXOKNMZVJTPL-LBPRGKRZSA-N 2 2 269.348 3.289 20 0 CGADLP CC[C@H](C)[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186753 171051085 /nfs/dbraw/zinc/05/10/85/171051085.db2.gz UJQZASQAYQSIIQ-QWHCGFSZSA-N 2 2 259.397 3.369 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020305132 171141723 /nfs/dbraw/zinc/14/17/23/171141723.db2.gz VNLUNGHKSSZKQR-UHFFFAOYSA-N 2 2 283.297 3.082 20 0 CGADLP c1cn(CCC[NH2+][C@H]2CCSc3ccccc32)c[nH+]1 ZINC000020506218 171228072 /nfs/dbraw/zinc/22/80/72/171228072.db2.gz TUODUJZFOFJRHF-AWEZNQCLSA-N 2 2 273.405 3.100 20 0 CGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020506202 171228143 /nfs/dbraw/zinc/22/81/43/171228143.db2.gz PGAJQYZVBSVWAZ-OAHLLOKOSA-N 2 2 257.381 3.241 20 0 CGADLP CCCCOc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000021816609 171332613 /nfs/dbraw/zinc/33/26/13/171332613.db2.gz ZPWRCTNRHDLDKZ-UHFFFAOYSA-N 2 2 276.424 3.051 20 0 CGADLP C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126196966 287259288 /nfs/dbraw/zinc/25/92/88/287259288.db2.gz OQSYMMPAYAXKTP-AWEZNQCLSA-N 2 2 280.375 3.062 20 0 CGADLP C[N@H+](Cc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435813 196283740 /nfs/dbraw/zinc/28/37/40/196283740.db2.gz HVGVFUIULIDXJF-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[N@@H+](Cc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435813 196283741 /nfs/dbraw/zinc/28/37/41/196283741.db2.gz HVGVFUIULIDXJF-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435813 196283742 /nfs/dbraw/zinc/28/37/42/196283742.db2.gz HVGVFUIULIDXJF-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP C[NH+](Cc1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285435813 196283743 /nfs/dbraw/zinc/28/37/43/196283743.db2.gz HVGVFUIULIDXJF-YIONKMFJSA-N 2 2 280.362 3.022 20 0 CGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000037236150 173054684 /nfs/dbraw/zinc/05/46/84/173054684.db2.gz ZRYSIPJQQYJEPT-AWEZNQCLSA-N 2 2 259.397 3.369 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000037248988 173061245 /nfs/dbraw/zinc/06/12/45/173061245.db2.gz JQBJWJXBYHRRCL-LBPRGKRZSA-N 2 2 258.365 3.178 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028497 174017735 /nfs/dbraw/zinc/01/77/35/174017735.db2.gz XCOOVVVTNSJWTL-SJORKVTESA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000038093557 174107692 /nfs/dbraw/zinc/10/76/92/174107692.db2.gz QAKSECWDLQBMSY-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000038093557 174107693 /nfs/dbraw/zinc/10/76/93/174107693.db2.gz QAKSECWDLQBMSY-QGZVFWFLSA-N 2 2 260.425 3.287 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000040591778 174347685 /nfs/dbraw/zinc/34/76/85/174347685.db2.gz SJNQUPRSSURMPK-GFCCVEGCSA-N 2 2 286.341 3.137 20 0 CGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000040591778 174347686 /nfs/dbraw/zinc/34/76/86/174347686.db2.gz SJNQUPRSSURMPK-GFCCVEGCSA-N 2 2 286.341 3.137 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C[N@@H+]1C1CC1 ZINC000128141123 287304503 /nfs/dbraw/zinc/30/45/03/287304503.db2.gz JUZWOPNBABFEMB-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000128141123 287304504 /nfs/dbraw/zinc/30/45/04/287304504.db2.gz JUZWOPNBABFEMB-WFASDCNBSA-N 2 2 278.827 3.097 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128620966 287314802 /nfs/dbraw/zinc/31/48/02/287314802.db2.gz ASOVYEWNSIEREN-RRFJBIMHSA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128620966 287314805 /nfs/dbraw/zinc/31/48/05/287314805.db2.gz ASOVYEWNSIEREN-RRFJBIMHSA-N 2 2 288.435 3.279 20 0 CGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000129222816 287327069 /nfs/dbraw/zinc/32/70/69/287327069.db2.gz LFHRYXRDXOJGAF-CVEARBPZSA-N 2 2 260.425 3.458 20 0 CGADLP Cc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405978273 416559288 /nfs/dbraw/zinc/55/92/88/416559288.db2.gz CKMFWRPKOBNFPG-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP Cc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405978273 416559292 /nfs/dbraw/zinc/55/92/92/416559292.db2.gz CKMFWRPKOBNFPG-IBGZPJMESA-N 2 2 295.430 3.144 20 0 CGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000130222953 287347936 /nfs/dbraw/zinc/34/79/36/287347936.db2.gz GGGUHSUAAJOGFR-CVEARBPZSA-N 2 2 260.425 3.253 20 0 CGADLP C[C@H]([NH2+]Cc1ccc(O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000679395661 543634305 /nfs/dbraw/zinc/63/43/05/543634305.db2.gz ZNYKAIAXGBNHKK-AWEZNQCLSA-N 2 2 293.370 3.429 20 0 CGADLP Clc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000680112424 543685815 /nfs/dbraw/zinc/68/58/15/543685815.db2.gz BLJHAQLDVLKIOG-UHFFFAOYSA-N 2 2 293.779 3.470 20 0 CGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3C3CC3)c2)c[nH+]1 ZINC000680330368 543698308 /nfs/dbraw/zinc/69/83/08/543698308.db2.gz USRHJDPEYZLQTM-HNNXBMFYSA-N 2 2 273.405 3.308 20 0 CGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]3C3CC3)c2)c[nH+]1 ZINC000680330368 543698310 /nfs/dbraw/zinc/69/83/10/543698310.db2.gz USRHJDPEYZLQTM-HNNXBMFYSA-N 2 2 273.405 3.308 20 0 CGADLP COc1ccc[nH+]c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000679732066 543658401 /nfs/dbraw/zinc/65/84/01/543658401.db2.gz CXUWLJNYSHJPFB-UHFFFAOYSA-N 2 2 289.423 3.299 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000130835113 287364515 /nfs/dbraw/zinc/36/45/15/287364515.db2.gz JKGMMPWPNJLHNY-LSDHHAIUSA-N 2 2 290.451 3.089 20 0 CGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000130835113 287364516 /nfs/dbraw/zinc/36/45/16/287364516.db2.gz JKGMMPWPNJLHNY-LSDHHAIUSA-N 2 2 290.451 3.089 20 0 CGADLP Cc1cc2[nH+]cn(CC[NH+]3CCCCC3)c2cc1C ZINC000130906542 287366170 /nfs/dbraw/zinc/36/61/70/287366170.db2.gz KXSZKXPNTUYOLI-UHFFFAOYSA-N 2 2 257.381 3.139 20 0 CGADLP CCc1ccccc1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683519338 543919846 /nfs/dbraw/zinc/91/98/46/543919846.db2.gz SIJICENKSVVRIW-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP CCc1ccccc1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683519338 543919849 /nfs/dbraw/zinc/91/98/49/543919849.db2.gz SIJICENKSVVRIW-GOSISDBHSA-N 2 2 283.419 3.325 20 0 CGADLP Cc1[nH+]c2ccccn2c1CNc1cc[nH+]c(C)c1Cl ZINC000683071005 543893209 /nfs/dbraw/zinc/89/32/09/543893209.db2.gz RGFFTQRHKPQSJL-UHFFFAOYSA-N 2 2 286.766 3.034 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000684114202 543968121 /nfs/dbraw/zinc/96/81/21/543968121.db2.gz VBBFUTSCGJORHH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000684114202 543968123 /nfs/dbraw/zinc/96/81/23/543968123.db2.gz VBBFUTSCGJORHH-HIFRSBDPSA-N 2 2 252.446 3.275 20 0 CGADLP Cc1ccc(CCC[N@@H+]2CCc3ccc(O)cc3CC2)c[nH+]1 ZINC000684358063 543984275 /nfs/dbraw/zinc/98/42/75/543984275.db2.gz PFSAWAVNAAQINA-UHFFFAOYSA-N 2 2 296.414 3.129 20 0 CGADLP Cc1ccc(CCC[N@H+]2CCc3ccc(O)cc3CC2)c[nH+]1 ZINC000684358063 543984278 /nfs/dbraw/zinc/98/42/78/543984278.db2.gz PFSAWAVNAAQINA-UHFFFAOYSA-N 2 2 296.414 3.129 20 0 CGADLP COC1CC[NH+](CC[NH2+]CCC2CCCCCC2)CC1 ZINC000685426184 544067719 /nfs/dbraw/zinc/06/77/19/544067719.db2.gz ALOMPLFMWPQYTP-UHFFFAOYSA-N 2 2 282.472 3.047 20 0 CGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000685579454 544086562 /nfs/dbraw/zinc/08/65/62/544086562.db2.gz JYKXQJPCHCMOEP-HNNXBMFYSA-N 2 2 297.402 3.389 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000134651325 287451584 /nfs/dbraw/zinc/45/15/84/287451584.db2.gz RYIIIUSTRNEPTD-LBPRGKRZSA-N 2 2 281.469 3.014 20 0 CGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000135090567 287460584 /nfs/dbraw/zinc/46/05/84/287460584.db2.gz YYWXTCVOOKQSCL-ZDUSSCGKSA-N 2 2 282.403 3.217 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000417916171 227164585 /nfs/dbraw/zinc/16/45/85/227164585.db2.gz UOBCJSVCSCFWGC-SCTDSRPQSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417916171 227164587 /nfs/dbraw/zinc/16/45/87/227164587.db2.gz UOBCJSVCSCFWGC-SCTDSRPQSA-N 2 2 284.447 3.397 20 0 CGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216476 418937585 /nfs/dbraw/zinc/93/75/85/418937585.db2.gz WSPHOHPWSNDTBN-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000652216476 418937586 /nfs/dbraw/zinc/93/75/86/418937586.db2.gz WSPHOHPWSNDTBN-IUODEOHRSA-N 2 2 278.827 3.259 20 0 CGADLP Cc1cccc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000664362953 418943297 /nfs/dbraw/zinc/94/32/97/418943297.db2.gz FDCQEBQSPDEAKT-SFHVURJKSA-N 2 2 295.430 3.143 20 0 CGADLP Cc1cccc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000664362953 418943303 /nfs/dbraw/zinc/94/33/03/418943303.db2.gz FDCQEBQSPDEAKT-SFHVURJKSA-N 2 2 295.430 3.143 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659974974 419049640 /nfs/dbraw/zinc/04/96/40/419049640.db2.gz SLOYYGZFDVBDPT-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C)C[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659974974 419049644 /nfs/dbraw/zinc/04/96/44/419049644.db2.gz SLOYYGZFDVBDPT-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659974974 419049647 /nfs/dbraw/zinc/04/96/47/419049647.db2.gz SLOYYGZFDVBDPT-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@@H]1C[C@H](C)C[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659974974 419049648 /nfs/dbraw/zinc/04/96/48/419049648.db2.gz SLOYYGZFDVBDPT-XUWVNRHRSA-N 2 2 252.446 3.085 20 0 CGADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881987 419027647 /nfs/dbraw/zinc/02/76/47/419027647.db2.gz CPNVVFOQASTZGI-OLZOCXBDSA-N 2 2 271.355 3.201 20 0 CGADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881987 419027648 /nfs/dbraw/zinc/02/76/48/419027648.db2.gz CPNVVFOQASTZGI-OLZOCXBDSA-N 2 2 271.355 3.201 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000664633115 418988516 /nfs/dbraw/zinc/98/85/16/418988516.db2.gz ZPTHHDJOAYRZHD-INIZCTEOSA-N 2 2 267.376 3.076 20 0 CGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000664633115 418988521 /nfs/dbraw/zinc/98/85/21/418988521.db2.gz ZPTHHDJOAYRZHD-INIZCTEOSA-N 2 2 267.376 3.076 20 0 CGADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823840 419009899 /nfs/dbraw/zinc/00/98/99/419009899.db2.gz PSLCRUZOZVTXHC-MRXNPFEDSA-N 2 2 275.440 3.196 20 0 CGADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664823840 419009902 /nfs/dbraw/zinc/00/99/02/419009902.db2.gz PSLCRUZOZVTXHC-MRXNPFEDSA-N 2 2 275.440 3.196 20 0 CGADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831933 419010823 /nfs/dbraw/zinc/01/08/23/419010823.db2.gz GQEMTWRCPPZQAF-MRXNPFEDSA-N 2 2 284.407 3.060 20 0 CGADLP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664831933 419010826 /nfs/dbraw/zinc/01/08/26/419010826.db2.gz GQEMTWRCPPZQAF-MRXNPFEDSA-N 2 2 284.407 3.060 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827758 419011510 /nfs/dbraw/zinc/01/15/10/419011510.db2.gz QAQLDKNLLCVISH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827758 419011514 /nfs/dbraw/zinc/01/15/14/419011514.db2.gz QAQLDKNLLCVISH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827758 419011518 /nfs/dbraw/zinc/01/15/18/419011518.db2.gz QAQLDKNLLCVISH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664827758 419011521 /nfs/dbraw/zinc/01/15/21/419011521.db2.gz QAQLDKNLLCVISH-SJORKVTESA-N 2 2 287.451 3.339 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccn1 ZINC000665253850 419093427 /nfs/dbraw/zinc/09/34/27/419093427.db2.gz BCRWPFAXKBRVRZ-FDQGKXFDSA-N 2 2 299.393 3.017 20 0 CGADLP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253273 419094083 /nfs/dbraw/zinc/09/40/83/419094083.db2.gz MFBJEWSIEZJQDK-DAXOMENPSA-N 2 2 264.388 3.049 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000665251496 419094430 /nfs/dbraw/zinc/09/44/30/419094430.db2.gz QKYQJMDQUOSXSJ-NIKGAXFTSA-N 2 2 296.414 3.189 20 0 CGADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1 ZINC000665276939 419099332 /nfs/dbraw/zinc/09/93/32/419099332.db2.gz PJMJSDXGIZWVEE-XGTXGMFGSA-N 2 2 264.800 3.133 20 0 CGADLP CC(C)Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276440 419099700 /nfs/dbraw/zinc/09/97/00/419099700.db2.gz CLSYBUMKCBZIND-MXWWQKGMSA-N 2 2 272.436 3.288 20 0 CGADLP Clc1cccc2c1SCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277672 419099812 /nfs/dbraw/zinc/09/98/12/419099812.db2.gz HWUYLRHUOOPYDK-VROQLPPWSA-N 2 2 294.851 3.219 20 0 CGADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Br)cc1 ZINC000665293965 419106736 /nfs/dbraw/zinc/10/67/36/419106736.db2.gz GEFSLCDXBFMMFB-GXFFZTMASA-N 2 2 285.229 3.098 20 0 CGADLP C[C@@H]([NH2+]CC1CC=CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660240080 419108277 /nfs/dbraw/zinc/10/82/77/419108277.db2.gz VLYLENRVXBQWMH-CQSZACIVSA-N 2 2 267.376 3.489 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000665296498 419108585 /nfs/dbraw/zinc/10/85/85/419108585.db2.gz TZBGTKJGLUBNKY-NHYWBVRUSA-N 2 2 266.816 3.305 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000665296507 419109059 /nfs/dbraw/zinc/10/90/59/419109059.db2.gz TZPRZLHJSSKUSC-KXBFYZLASA-N 2 2 298.430 3.177 20 0 CGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000665298379 419110785 /nfs/dbraw/zinc/11/07/85/419110785.db2.gz VNDBRQFJHGPCBD-JSGCOSHPSA-N 2 2 264.438 3.038 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848135 419117949 /nfs/dbraw/zinc/11/79/49/419117949.db2.gz BZLDRBQIJTYWEO-KBMXLJTQSA-N 2 2 278.465 3.286 20 0 CGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848135 419117954 /nfs/dbraw/zinc/11/79/54/419117954.db2.gz BZLDRBQIJTYWEO-KBMXLJTQSA-N 2 2 278.465 3.286 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848722 419118354 /nfs/dbraw/zinc/11/83/54/419118354.db2.gz JZEAEKPOJJNNAT-USXIJHARSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848722 419118357 /nfs/dbraw/zinc/11/83/57/419118357.db2.gz JZEAEKPOJJNNAT-USXIJHARSA-N 2 2 288.435 3.363 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655848245 419118695 /nfs/dbraw/zinc/11/86/95/419118695.db2.gz CDQICLVGSUEPLT-CVSAEHQPSA-N 2 2 286.410 3.417 20 0 CGADLP FC(F)C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655848245 419118697 /nfs/dbraw/zinc/11/86/97/419118697.db2.gz CDQICLVGSUEPLT-CVSAEHQPSA-N 2 2 286.410 3.417 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000655848942 419120399 /nfs/dbraw/zinc/12/03/99/419120399.db2.gz LZDCQZUHASIKMU-CFVMTHIKSA-N 2 2 264.438 3.416 20 0 CGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000655848942 419120404 /nfs/dbraw/zinc/12/04/04/419120404.db2.gz LZDCQZUHASIKMU-CFVMTHIKSA-N 2 2 264.438 3.416 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850723 419120954 /nfs/dbraw/zinc/12/09/54/419120954.db2.gz LPFJPYIKJRCECM-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850723 419120955 /nfs/dbraw/zinc/12/09/55/419120955.db2.gz LPFJPYIKJRCECM-ARFHVFGLSA-N 2 2 282.472 3.044 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655855310 419122513 /nfs/dbraw/zinc/12/25/13/419122513.db2.gz DFSBSOKVQOWYMW-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655855310 419122516 /nfs/dbraw/zinc/12/25/16/419122516.db2.gz DFSBSOKVQOWYMW-QZTJIDSGSA-N 2 2 288.435 3.192 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590064 419054854 /nfs/dbraw/zinc/05/48/54/419054854.db2.gz LZBBYQGCAKVLLK-RDTXWAMCSA-N 2 2 295.430 3.459 20 0 CGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590064 419054856 /nfs/dbraw/zinc/05/48/56/419054856.db2.gz LZBBYQGCAKVLLK-RDTXWAMCSA-N 2 2 295.430 3.459 20 0 CGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659989438 419056994 /nfs/dbraw/zinc/05/69/94/419056994.db2.gz LCTAVTFIXLZKLV-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nsc3ccccc32)C1 ZINC000659989438 419056999 /nfs/dbraw/zinc/05/69/99/419056999.db2.gz LCTAVTFIXLZKLV-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000659989438 419057002 /nfs/dbraw/zinc/05/70/02/419057002.db2.gz LCTAVTFIXLZKLV-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000659989438 419057004 /nfs/dbraw/zinc/05/70/04/419057004.db2.gz LCTAVTFIXLZKLV-ZDUSSCGKSA-N 2 2 289.448 3.070 20 0 CGADLP CC[C@@H](CC(F)F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659999326 419061034 /nfs/dbraw/zinc/06/10/34/419061034.db2.gz OHMIXDPJJOCRER-NSHDSACASA-N 2 2 271.355 3.271 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CS1 ZINC000655680962 419063688 /nfs/dbraw/zinc/06/36/88/419063688.db2.gz VRTNXVMEDCTOAY-HYVNUMGLSA-N 2 2 292.492 3.033 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660065232 419069523 /nfs/dbraw/zinc/06/95/23/419069523.db2.gz RKTIQZGYCZCIFV-INMHGKMJSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660065232 419069526 /nfs/dbraw/zinc/06/95/26/419069526.db2.gz RKTIQZGYCZCIFV-INMHGKMJSA-N 2 2 262.441 3.290 20 0 CGADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719053 419075538 /nfs/dbraw/zinc/07/55/38/419075538.db2.gz OOSDZWKJRZYYIU-DJIMGWMZSA-N 2 2 294.483 3.044 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000655855968 419124044 /nfs/dbraw/zinc/12/40/44/419124044.db2.gz JWUDBRJLDPXCFJ-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000655855968 419124048 /nfs/dbraw/zinc/12/40/48/419124048.db2.gz JWUDBRJLDPXCFJ-DLBZAZTESA-N 2 2 276.399 3.241 20 0 CGADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000656261642 419158852 /nfs/dbraw/zinc/15/88/52/419158852.db2.gz LTZUTKOFVVLXDK-QZTJIDSGSA-N 2 2 294.483 3.188 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000656276183 419164206 /nfs/dbraw/zinc/16/42/06/419164206.db2.gz BOBYSTHNRKVAIK-YDZRNGNQSA-N 2 2 284.447 3.397 20 0 CGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000656276183 419164207 /nfs/dbraw/zinc/16/42/07/419164207.db2.gz BOBYSTHNRKVAIK-YDZRNGNQSA-N 2 2 284.447 3.397 20 0 CGADLP Cc1ccnc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660678675 419182534 /nfs/dbraw/zinc/18/25/34/419182534.db2.gz YBGIBRQQAJDUHA-UHFFFAOYSA-N 2 2 295.430 3.144 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc21 ZINC000657395103 419269230 /nfs/dbraw/zinc/26/92/30/419269230.db2.gz ZSWMAJYCRONSIY-FZKQIMNGSA-N 2 2 283.419 3.049 20 0 CGADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc21 ZINC000657395103 419269232 /nfs/dbraw/zinc/26/92/32/419269232.db2.gz ZSWMAJYCRONSIY-FZKQIMNGSA-N 2 2 283.419 3.049 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675207 419197760 /nfs/dbraw/zinc/19/77/60/419197760.db2.gz AOMSXQQMCZQZNP-YPMHNXCESA-N 2 2 282.378 3.488 20 0 CGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000656675207 419197761 /nfs/dbraw/zinc/19/77/61/419197761.db2.gz AOMSXQQMCZQZNP-YPMHNXCESA-N 2 2 282.378 3.488 20 0 CGADLP CC[C@H](C)Oc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656783054 419217700 /nfs/dbraw/zinc/21/77/00/419217700.db2.gz MZTMDCZZCVIWNJ-ZDUSSCGKSA-N 2 2 294.439 3.042 20 0 CGADLP CC[C@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OC ZINC000656783054 419217702 /nfs/dbraw/zinc/21/77/02/419217702.db2.gz MZTMDCZZCVIWNJ-ZDUSSCGKSA-N 2 2 294.439 3.042 20 0 CGADLP c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(C2CCCC2)c1 ZINC000656784575 419218193 /nfs/dbraw/zinc/21/81/93/419218193.db2.gz BZOOHFVOFXDFKG-QGZVFWFLSA-N 2 2 258.409 3.186 20 0 CGADLP CC[C@H](C)[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661104914 419229977 /nfs/dbraw/zinc/22/99/77/419229977.db2.gz UOXQNBIFEYVOEJ-INIZCTEOSA-N 2 2 290.451 3.139 20 0 CGADLP CC[C@H](C)[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000661104914 419229981 /nfs/dbraw/zinc/22/99/81/419229981.db2.gz UOXQNBIFEYVOEJ-INIZCTEOSA-N 2 2 290.451 3.139 20 0 CGADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657456953 419283728 /nfs/dbraw/zinc/28/37/28/419283728.db2.gz CKOZNKAMNGXUFI-ZBFHGGJFSA-N 2 2 299.393 3.394 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523111 419297227 /nfs/dbraw/zinc/29/72/27/419297227.db2.gz DJZGSKNISHYTJW-XJKSGUPXSA-N 2 2 278.415 3.392 20 0 CGADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(F)cc1 ZINC000657523111 419297230 /nfs/dbraw/zinc/29/72/30/419297230.db2.gz DJZGSKNISHYTJW-XJKSGUPXSA-N 2 2 278.415 3.392 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525326 419298138 /nfs/dbraw/zinc/29/81/38/419298138.db2.gz RUXWFUIOSJBJME-DYLHUKMJSA-N 2 2 288.435 3.171 20 0 CGADLP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525326 419298139 /nfs/dbraw/zinc/29/81/39/419298139.db2.gz RUXWFUIOSJBJME-DYLHUKMJSA-N 2 2 288.435 3.171 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000657563200 419305755 /nfs/dbraw/zinc/30/57/55/419305755.db2.gz QCQMXZINHXQYER-IRXDYDNUSA-N 2 2 272.436 3.006 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000657563200 419305757 /nfs/dbraw/zinc/30/57/57/419305757.db2.gz QCQMXZINHXQYER-IRXDYDNUSA-N 2 2 272.436 3.006 20 0 CGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657879582 419400842 /nfs/dbraw/zinc/40/08/42/419400842.db2.gz LREQZRNTCLDRMG-NWDGAFQWSA-N 2 2 262.388 3.130 20 0 CGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657879582 419400848 /nfs/dbraw/zinc/40/08/48/419400848.db2.gz LREQZRNTCLDRMG-NWDGAFQWSA-N 2 2 262.388 3.130 20 0 CGADLP COc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1Cl ZINC000662235607 419369420 /nfs/dbraw/zinc/36/94/20/419369420.db2.gz RODIBSHTIQUHDK-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP COc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1Cl ZINC000662235607 419369425 /nfs/dbraw/zinc/36/94/25/419369425.db2.gz RODIBSHTIQUHDK-UHFFFAOYSA-N 2 2 294.826 3.065 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657824775 419374455 /nfs/dbraw/zinc/37/44/55/419374455.db2.gz LOVFNSGCIKGGSQ-LLVKDONJSA-N 2 2 283.366 3.154 20 0 CGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000657832609 419376498 /nfs/dbraw/zinc/37/64/98/419376498.db2.gz GKPDGABNLCVSRC-HZPDHXFCSA-N 2 2 297.446 3.371 20 0 CGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662285231 419384743 /nfs/dbraw/zinc/38/47/43/419384743.db2.gz HWRAPEYAIBWHHY-WFASDCNBSA-N 2 2 282.378 3.226 20 0 CGADLP CC[C@@H](CC(F)F)C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662285231 419384746 /nfs/dbraw/zinc/38/47/46/419384746.db2.gz HWRAPEYAIBWHHY-WFASDCNBSA-N 2 2 282.378 3.226 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658055837 419523930 /nfs/dbraw/zinc/52/39/30/419523930.db2.gz JPFQQWHYGPLPKX-UKRRQHHQSA-N 2 2 276.424 3.219 20 0 CGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658055837 419523934 /nfs/dbraw/zinc/52/39/34/419523934.db2.gz JPFQQWHYGPLPKX-UKRRQHHQSA-N 2 2 276.424 3.219 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057960 419529260 /nfs/dbraw/zinc/52/92/60/419529260.db2.gz QKUZFJAVIIEVEY-UONOGXRCSA-N 2 2 264.413 3.063 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057960 419529266 /nfs/dbraw/zinc/52/92/66/419529266.db2.gz QKUZFJAVIIEVEY-UONOGXRCSA-N 2 2 264.413 3.063 20 0 CGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658062996 419536881 /nfs/dbraw/zinc/53/68/81/419536881.db2.gz UTKGRIFSBZAGIM-CJNGLKHVSA-N 2 2 288.435 3.232 20 0 CGADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000658062996 419536890 /nfs/dbraw/zinc/53/68/90/419536890.db2.gz UTKGRIFSBZAGIM-CJNGLKHVSA-N 2 2 288.435 3.232 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226255 419684081 /nfs/dbraw/zinc/68/40/81/419684081.db2.gz IGCYGVUXACKVHW-GDBMZVCRSA-N 2 2 294.483 3.329 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)O1 ZINC000658226255 419684093 /nfs/dbraw/zinc/68/40/93/419684093.db2.gz IGCYGVUXACKVHW-GDBMZVCRSA-N 2 2 294.483 3.329 20 0 CGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000658294786 419742416 /nfs/dbraw/zinc/74/24/16/419742416.db2.gz JSEQOKCBCVQSRS-ULQDDVLXSA-N 2 2 294.483 3.044 20 0 CGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294217 419742949 /nfs/dbraw/zinc/74/29/49/419742949.db2.gz MIZOPPYZUGFZRQ-LZLYRXPVSA-N 2 2 296.499 3.290 20 0 CGADLP Cc1[nH+]c2c(n1Cc1[nH+]ccn1-c1ccccc1)CCCC2 ZINC000664047989 419812342 /nfs/dbraw/zinc/81/23/42/419812342.db2.gz AJKCIAAEZPVAAZ-UHFFFAOYSA-N 2 2 292.386 3.304 20 0 CGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020306008 262245149 /nfs/dbraw/zinc/24/51/49/262245149.db2.gz MBARXTBRODKJEF-OAGGEKHMSA-N 2 2 263.429 3.324 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221830586 262301409 /nfs/dbraw/zinc/30/14/09/262301409.db2.gz ASOVYEWNSIEREN-KFWWJZLASA-N 2 2 288.435 3.279 20 0 CGADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221830586 262301410 /nfs/dbraw/zinc/30/14/10/262301410.db2.gz ASOVYEWNSIEREN-KFWWJZLASA-N 2 2 288.435 3.279 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000186538272 262316512 /nfs/dbraw/zinc/31/65/12/262316512.db2.gz YLIXGWGGQUMXTJ-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000186538272 262316514 /nfs/dbraw/zinc/31/65/14/262316514.db2.gz YLIXGWGGQUMXTJ-NVXWUHKLSA-N 2 2 290.451 3.054 20 0 CGADLP C[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771342 270030286 /nfs/dbraw/zinc/03/02/86/270030286.db2.gz QPEWXYIFBWLWEX-QGZVFWFLSA-N 2 2 274.452 3.329 20 0 CGADLP CCCOc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353158 270035511 /nfs/dbraw/zinc/03/55/11/270035511.db2.gz BHWXKDUJGKNILV-UHFFFAOYSA-N 2 2 287.407 3.242 20 0 CGADLP C[C@@H](CCc1ccccc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094586 270038225 /nfs/dbraw/zinc/03/82/25/270038225.db2.gz QGDRZOZCFDEYPS-INIZCTEOSA-N 2 2 271.408 3.274 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(F)c1 ZINC000182835901 270054425 /nfs/dbraw/zinc/05/44/25/270054425.db2.gz YKHDGEDYCAYCGC-MSOLQXFVSA-N 2 2 290.426 3.317 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1cccc(F)c1 ZINC000182835901 270054426 /nfs/dbraw/zinc/05/44/26/270054426.db2.gz YKHDGEDYCAYCGC-MSOLQXFVSA-N 2 2 290.426 3.317 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(F)c1 ZINC000182835901 270054427 /nfs/dbraw/zinc/05/44/27/270054427.db2.gz YKHDGEDYCAYCGC-MSOLQXFVSA-N 2 2 290.426 3.317 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(F)c1 ZINC000182835901 270054428 /nfs/dbraw/zinc/05/44/28/270054428.db2.gz YKHDGEDYCAYCGC-MSOLQXFVSA-N 2 2 290.426 3.317 20 0 CGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189886 265357002 /nfs/dbraw/zinc/35/70/02/265357002.db2.gz NMWFCFDKMZYBTQ-XSCHDIRWSA-N 2 2 252.446 3.129 20 0 CGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000519189886 265357004 /nfs/dbraw/zinc/35/70/04/265357004.db2.gz NMWFCFDKMZYBTQ-XSCHDIRWSA-N 2 2 252.446 3.129 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186880394 270067467 /nfs/dbraw/zinc/06/74/67/270067467.db2.gz REKVSHACDWNSEY-YOEHRIQHSA-N 2 2 260.425 3.285 20 0 CGADLP CC[C@H](C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186880394 270067468 /nfs/dbraw/zinc/06/74/68/270067468.db2.gz REKVSHACDWNSEY-YOEHRIQHSA-N 2 2 260.425 3.285 20 0 CGADLP CC[NH+](CC)CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000191813422 270076248 /nfs/dbraw/zinc/07/62/48/270076248.db2.gz GRMWVFIDCSCJQK-UHFFFAOYSA-N 2 2 281.469 3.234 20 0 CGADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)co2)cc1 ZINC000521225577 270101169 /nfs/dbraw/zinc/10/11/69/270101169.db2.gz CYUPRLOBTOESDS-YOEHRIQHSA-N 2 2 299.418 3.128 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000527752776 270134219 /nfs/dbraw/zinc/13/42/19/270134219.db2.gz PLJPGNOFZFMCID-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000527752776 270134220 /nfs/dbraw/zinc/13/42/20/270134220.db2.gz PLJPGNOFZFMCID-CGTJXYLNSA-N 2 2 294.483 3.188 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1C ZINC000527805432 270137349 /nfs/dbraw/zinc/13/73/49/270137349.db2.gz ADWDSFOOHDXEAE-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1C ZINC000527805432 270137350 /nfs/dbraw/zinc/13/73/50/270137350.db2.gz ADWDSFOOHDXEAE-QGZVFWFLSA-N 2 2 288.435 3.110 20 0 CGADLP CC(C)c1cccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000527913694 270143952 /nfs/dbraw/zinc/14/39/52/270143952.db2.gz LCLRPDCBBFHLCA-AWEZNQCLSA-N 2 2 271.408 3.437 20 0 CGADLP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527976698 270147961 /nfs/dbraw/zinc/14/79/61/270147961.db2.gz GAASTBODJKQQSC-OAHLLOKOSA-N 2 2 269.392 3.155 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003550 270150457 /nfs/dbraw/zinc/15/04/57/270150457.db2.gz STFUVOWTXQOMML-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003550 270150458 /nfs/dbraw/zinc/15/04/58/270150458.db2.gz STFUVOWTXQOMML-HIFRSBDPSA-N 2 2 252.446 3.418 20 0 CGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528759276 270171047 /nfs/dbraw/zinc/17/10/47/270171047.db2.gz NMQZEXCKBCVEKT-KRXQYRFLSA-N 2 2 299.418 3.082 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555457 270184684 /nfs/dbraw/zinc/18/46/84/270184684.db2.gz QPSIVMYGXDHRDI-SMDDNHRTSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC(F)(F)C1 ZINC000529555457 270184685 /nfs/dbraw/zinc/18/46/85/270184685.db2.gz QPSIVMYGXDHRDI-SMDDNHRTSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529623949 270186171 /nfs/dbraw/zinc/18/61/71/270186171.db2.gz WRVDFYRUNHEQEM-STQMWFEESA-N 2 2 274.399 3.130 20 0 CGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc21 ZINC000530216902 270195649 /nfs/dbraw/zinc/19/56/49/270195649.db2.gz QTPKGLGPFGHLOR-UHOFOFEASA-N 2 2 256.393 3.109 20 0 CGADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530217670 270196141 /nfs/dbraw/zinc/19/61/41/270196141.db2.gz VDXWXKODPOQBPY-LSDHHAIUSA-N 2 2 262.372 3.151 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217353 270196349 /nfs/dbraw/zinc/19/63/49/270196349.db2.gz GCZWQEKWLBNTEE-HUUCEWRRSA-N 2 2 262.372 3.151 20 0 CGADLP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000530223594 270196436 /nfs/dbraw/zinc/19/64/36/270196436.db2.gz NYQLYVXPSWEHKH-HIFRSBDPSA-N 2 2 293.842 3.089 20 0 CGADLP Clc1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000530223594 270196437 /nfs/dbraw/zinc/19/64/37/270196437.db2.gz NYQLYVXPSWEHKH-HIFRSBDPSA-N 2 2 293.842 3.089 20 0 CGADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530225261 270196439 /nfs/dbraw/zinc/19/64/39/270196439.db2.gz XLLZFMYZYJZTLJ-AAEUAGOBSA-N 2 2 250.411 3.073 20 0 CGADLP FC(F)(F)c1cccc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000530232711 270196793 /nfs/dbraw/zinc/19/67/93/270196793.db2.gz ABJBFIDAFUVFFW-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP FC(F)(F)c1cccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000530232711 270196794 /nfs/dbraw/zinc/19/67/94/270196794.db2.gz ABJBFIDAFUVFFW-GFCCVEGCSA-N 2 2 298.352 3.063 20 0 CGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1cc(C)ccc1C ZINC000530226026 270196898 /nfs/dbraw/zinc/19/68/98/270196898.db2.gz ZRSRNDKVFLLSJM-RYRKJORJSA-N 2 2 290.451 3.111 20 0 CGADLP c1cc(-c2ccccc2)oc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530242182 270197323 /nfs/dbraw/zinc/19/73/23/270197323.db2.gz ABHFWHIUIDHPPZ-KRWDZBQOSA-N 2 2 282.387 3.321 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000531938557 270210927 /nfs/dbraw/zinc/21/09/27/270210927.db2.gz PUNKYOXIYLERMD-ICSRJNTNSA-N 2 2 294.442 3.436 20 0 CGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979027 270212116 /nfs/dbraw/zinc/21/21/16/270212116.db2.gz WYQSNEWUXUFXTC-GJZGRUSLSA-N 2 2 292.492 3.490 20 0 CGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2cccs2)CCCCC1 ZINC000531979027 270212117 /nfs/dbraw/zinc/21/21/17/270212117.db2.gz WYQSNEWUXUFXTC-GJZGRUSLSA-N 2 2 292.492 3.490 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983904 270212189 /nfs/dbraw/zinc/21/21/89/270212189.db2.gz LYWFSTONNMYWBB-HOTGVXAUSA-N 2 2 290.451 3.468 20 0 CGADLP CCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983904 270212190 /nfs/dbraw/zinc/21/21/90/270212190.db2.gz LYWFSTONNMYWBB-HOTGVXAUSA-N 2 2 290.451 3.468 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000531937022 270210874 /nfs/dbraw/zinc/21/08/74/270210874.db2.gz KACVSNGAVINUJE-LZWOXQAQSA-N 2 2 252.446 3.274 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000531937022 270210875 /nfs/dbraw/zinc/21/08/75/270210875.db2.gz KACVSNGAVINUJE-LZWOXQAQSA-N 2 2 252.446 3.274 20 0 CGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000532532373 270217159 /nfs/dbraw/zinc/21/71/59/270217159.db2.gz BBFFOCAYGBHAHN-NZSAHSFTSA-N 2 2 286.463 3.329 20 0 CGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000532532373 270217160 /nfs/dbraw/zinc/21/71/60/270217160.db2.gz BBFFOCAYGBHAHN-NZSAHSFTSA-N 2 2 286.463 3.329 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532532281 270217236 /nfs/dbraw/zinc/21/72/36/270217236.db2.gz XRHJTAYUXZOISQ-XHSDSOJGSA-N 2 2 290.451 3.119 20 0 CGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532532281 270217237 /nfs/dbraw/zinc/21/72/37/270217237.db2.gz XRHJTAYUXZOISQ-XHSDSOJGSA-N 2 2 290.451 3.119 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000236071434 287651278 /nfs/dbraw/zinc/65/12/78/287651278.db2.gz QQGGEYVZCVXKKB-WCQYABFASA-N 2 2 282.840 3.219 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000237026984 287654305 /nfs/dbraw/zinc/65/43/05/287654305.db2.gz LCKYIDRMGPAUPC-ROUUACIJSA-N 2 2 272.436 3.105 20 0 CGADLP CC1(C)CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000041118889 273581362 /nfs/dbraw/zinc/58/13/62/273581362.db2.gz UUICXHBIEARPTH-MRXNPFEDSA-N 2 2 269.392 3.285 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000361061946 274022342 /nfs/dbraw/zinc/02/23/42/274022342.db2.gz VQKDFHOTQADXDB-BQFCYCMXSA-N 2 2 290.451 3.227 20 0 CGADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000361061946 274022343 /nfs/dbraw/zinc/02/23/43/274022343.db2.gz VQKDFHOTQADXDB-BQFCYCMXSA-N 2 2 290.451 3.227 20 0 CGADLP C[C@@H]([NH2+][C@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422729225 274262046 /nfs/dbraw/zinc/26/20/46/274262046.db2.gz HMXCUWASSYPCPG-XYPHTWIQSA-N 2 2 258.409 3.184 20 0 CGADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000149329217 274318287 /nfs/dbraw/zinc/31/82/87/274318287.db2.gz JDPYIWCBCLJYCB-CJNGLKHVSA-N 2 2 255.365 3.111 20 0 CGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Cl ZINC000290568557 274334843 /nfs/dbraw/zinc/33/48/43/274334843.db2.gz SYGAGHFTVBQKSH-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1sccc1Cl ZINC000290568557 274334844 /nfs/dbraw/zinc/33/48/44/274334844.db2.gz SYGAGHFTVBQKSH-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1sccc1Cl ZINC000290568557 274334845 /nfs/dbraw/zinc/33/48/45/274334845.db2.gz SYGAGHFTVBQKSH-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1sccc1Cl ZINC000290568557 274334846 /nfs/dbraw/zinc/33/48/46/274334846.db2.gz SYGAGHFTVBQKSH-PWSUYJOCSA-N 2 2 272.845 3.174 20 0 CGADLP Cc1nc2[nH]ccc2c(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000433782668 274846106 /nfs/dbraw/zinc/84/61/06/274846106.db2.gz KDDWLCJOZMMYOZ-UHFFFAOYSA-N 2 2 299.422 3.085 20 0 CGADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423507856 275065571 /nfs/dbraw/zinc/06/55/71/275065571.db2.gz IQIYCKGDNGLAHD-GVDBMIGSSA-N 2 2 298.455 3.471 20 0 CGADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000335042048 275066434 /nfs/dbraw/zinc/06/64/34/275066434.db2.gz XFLVKVSZLVXTHI-KGLIPLIRSA-N 2 2 299.443 3.139 20 0 CGADLP C/C(=C/c1ccccc1)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000500377888 275398811 /nfs/dbraw/zinc/39/88/11/275398811.db2.gz QFTKLAUUTZNWDE-QINSGFPZSA-N 2 2 258.409 3.164 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423306917 276017576 /nfs/dbraw/zinc/01/75/76/276017576.db2.gz FRDWBJBLMBORQN-JQWIXIFHSA-N 2 2 270.467 3.263 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368100862 276042511 /nfs/dbraw/zinc/04/25/11/276042511.db2.gz IPPKNMOHYMKSLM-HZPDHXFCSA-N 2 2 283.419 3.268 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368100862 276042512 /nfs/dbraw/zinc/04/25/12/276042512.db2.gz IPPKNMOHYMKSLM-HZPDHXFCSA-N 2 2 283.419 3.268 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000359590427 276174862 /nfs/dbraw/zinc/17/48/62/276174862.db2.gz KNTLXCQLCKTSET-VMGRFDJRSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000359590427 276174863 /nfs/dbraw/zinc/17/48/63/276174863.db2.gz KNTLXCQLCKTSET-VMGRFDJRSA-N 2 2 276.399 3.133 20 0 CGADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092299 276178943 /nfs/dbraw/zinc/17/89/43/276178943.db2.gz ATFMMLKLIDCFET-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343092299 276178944 /nfs/dbraw/zinc/17/89/44/276178944.db2.gz ATFMMLKLIDCFET-GOEBONIOSA-N 2 2 278.827 3.401 20 0 CGADLP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142425 276251807 /nfs/dbraw/zinc/25/18/07/276251807.db2.gz VDLLQYXIYTYWHB-WNRNVDISSA-N 3 2 295.515 3.007 20 0 CGADLP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142425 276251809 /nfs/dbraw/zinc/25/18/09/276251809.db2.gz VDLLQYXIYTYWHB-WNRNVDISSA-N 3 2 295.515 3.007 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000250346811 276373930 /nfs/dbraw/zinc/37/39/30/276373930.db2.gz QOOZZYHUJUNJFP-SOUVJXGZSA-N 2 2 252.446 3.275 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000250346811 276373931 /nfs/dbraw/zinc/37/39/31/276373931.db2.gz QOOZZYHUJUNJFP-SOUVJXGZSA-N 2 2 252.446 3.275 20 0 CGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(COC)CC1 ZINC000423510494 276680505 /nfs/dbraw/zinc/68/05/05/276680505.db2.gz SJPJWOPUMOLHRD-JFUPDXTOSA-N 2 2 290.451 3.044 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088458 277084222 /nfs/dbraw/zinc/08/42/22/277084222.db2.gz SKHVSVGCIARSSV-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088458 277084223 /nfs/dbraw/zinc/08/42/23/277084223.db2.gz SKHVSVGCIARSSV-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088458 277084224 /nfs/dbraw/zinc/08/42/24/277084224.db2.gz SKHVSVGCIARSSV-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000189088458 277084226 /nfs/dbraw/zinc/08/42/26/277084226.db2.gz SKHVSVGCIARSSV-BBRMVZONSA-N 2 2 296.817 3.395 20 0 CGADLP CC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356896665 277145970 /nfs/dbraw/zinc/14/59/70/277145970.db2.gz LUAVLYLAHWSHCH-UHFFFAOYSA-N 2 2 266.351 3.039 20 0 CGADLP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000281951071 277241269 /nfs/dbraw/zinc/24/12/69/277241269.db2.gz ANUCMRUZOBIMBM-WBVHZDCISA-N 2 2 299.418 3.167 20 0 CGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000359382298 277478201 /nfs/dbraw/zinc/47/82/01/277478201.db2.gz GZARIMFGBYZEHJ-IAGOWNOFSA-N 2 2 294.483 3.044 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000397302129 288022641 /nfs/dbraw/zinc/02/26/41/288022641.db2.gz GLTDDQPEDCEVNI-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000397302129 288022642 /nfs/dbraw/zinc/02/26/42/288022642.db2.gz GLTDDQPEDCEVNI-JHJVBQTASA-N 2 2 295.496 3.246 20 0 CGADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423178669 278282968 /nfs/dbraw/zinc/28/29/68/278282968.db2.gz CKUXXAZDYTYGKQ-CJNGLKHVSA-N 2 2 258.409 3.141 20 0 CGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2sccc21 ZINC000061327988 278301511 /nfs/dbraw/zinc/30/15/11/278301511.db2.gz GJULPZCWPDEHOF-WCQYABFASA-N 2 2 261.394 3.000 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000271809752 278348137 /nfs/dbraw/zinc/34/81/37/278348137.db2.gz UHEQZSAZLZIIAQ-NEPJUHHUSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000271809752 278348138 /nfs/dbraw/zinc/34/81/38/278348138.db2.gz UHEQZSAZLZIIAQ-NEPJUHHUSA-N 2 2 268.351 3.100 20 0 CGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370261568 278443761 /nfs/dbraw/zinc/44/37/61/278443761.db2.gz NCGJTNVAPXCSTQ-TZMCWYRMSA-N 2 2 261.413 3.134 20 0 CGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423055127 288063100 /nfs/dbraw/zinc/06/31/00/288063100.db2.gz CSVVBOWLKWFHCC-RISCZKNCSA-N 2 2 286.341 3.244 20 0 CGADLP Cc1ccc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)s1 ZINC000459376069 288085767 /nfs/dbraw/zinc/08/57/67/288085767.db2.gz NMVYHCCXZFOIEM-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)s1 ZINC000459376069 288085770 /nfs/dbraw/zinc/08/57/70/288085770.db2.gz NMVYHCCXZFOIEM-CQSZACIVSA-N 2 2 275.421 3.170 20 0 CGADLP CC(C)C[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000442719056 278988584 /nfs/dbraw/zinc/98/85/84/278988584.db2.gz PQNDRJDPUOJPTK-RUXDESIVSA-N 2 2 276.415 3.376 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1cccnc1)C(C)C)CCC2 ZINC000359320731 279003704 /nfs/dbraw/zinc/00/37/04/279003704.db2.gz KCJSEKSYJZRAHU-SJORKVTESA-N 2 2 298.434 3.451 20 0 CGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC13CCCC3)CCC2 ZINC000336064029 279003746 /nfs/dbraw/zinc/00/37/46/279003746.db2.gz HTNXWTDNIYIRSF-HUUCEWRRSA-N 2 2 273.424 3.381 20 0 CGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152765075 279021913 /nfs/dbraw/zinc/02/19/13/279021913.db2.gz ILZQQDRPHZTMKM-AUUYWEPGSA-N 2 2 295.430 3.285 20 0 CGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459488468 288094410 /nfs/dbraw/zinc/09/44/10/288094410.db2.gz OMEAIJOLGLLCRE-QJPTWQEYSA-N 2 2 289.345 3.014 20 0 CGADLP C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459488468 288094411 /nfs/dbraw/zinc/09/44/11/288094411.db2.gz OMEAIJOLGLLCRE-QJPTWQEYSA-N 2 2 289.345 3.014 20 0 CGADLP C[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)[NH+](C)C ZINC000464068592 279354430 /nfs/dbraw/zinc/35/44/30/279354430.db2.gz ITNFRWKPVHZJAG-KBMXLJTQSA-N 2 2 260.425 3.108 20 0 CGADLP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)[C@@H]1CCCC[NH2+]1 ZINC000422844267 279546307 /nfs/dbraw/zinc/54/63/07/279546307.db2.gz LJFAHCGHNKCASM-CQDKDKBSSA-N 2 2 294.439 3.483 20 0 CGADLP Cc1cccn2c(C[NH2+]CC[C@H]3CC=CCC3)c[nH+]c12 ZINC000527791879 288195600 /nfs/dbraw/zinc/19/56/00/288195600.db2.gz WCIVTADEHDMXDU-HNNXBMFYSA-N 2 2 269.392 3.479 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C(C)C ZINC000479859861 280188597 /nfs/dbraw/zinc/18/85/97/280188597.db2.gz DBEVBSPALHVJCZ-IAGOWNOFSA-N 2 2 262.441 3.184 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(C)cc1 ZINC000163290549 280190177 /nfs/dbraw/zinc/19/01/77/280190177.db2.gz WTHIOKVHSBFKCB-QZTJIDSGSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(C)cc1 ZINC000163290549 280190180 /nfs/dbraw/zinc/19/01/80/280190180.db2.gz WTHIOKVHSBFKCB-QZTJIDSGSA-N 2 2 290.451 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000368101942 280194854 /nfs/dbraw/zinc/19/48/54/280194854.db2.gz LUYULPXGPJTWKV-ZIAGYGMSSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000368101942 280194856 /nfs/dbraw/zinc/19/48/56/280194856.db2.gz LUYULPXGPJTWKV-ZIAGYGMSSA-N 2 2 273.355 3.147 20 0 CGADLP c1ccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+]2CCCC2)cc1 ZINC000224292792 280482837 /nfs/dbraw/zinc/48/28/37/280482837.db2.gz CGTUHIVFFJXNSV-DOTOQJQBSA-N 2 2 290.476 3.166 20 0 CGADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC(C)C)c1 ZINC000422874955 280828571 /nfs/dbraw/zinc/82/85/71/280828571.db2.gz OHGLUSRJAUAPFH-AWEZNQCLSA-N 2 2 299.418 3.441 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102395 281096228 /nfs/dbraw/zinc/09/62/28/281096228.db2.gz OEFDCGHRJNNGCF-ZBFHGGJFSA-N 2 2 281.403 3.243 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102395 281096231 /nfs/dbraw/zinc/09/62/31/281096231.db2.gz OEFDCGHRJNNGCF-ZBFHGGJFSA-N 2 2 281.403 3.243 20 0 CGADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530213633 288300839 /nfs/dbraw/zinc/30/08/39/288300839.db2.gz BCKIYHVOQRIAQJ-HOTGVXAUSA-N 2 2 274.383 3.077 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CCC2 ZINC000423556905 281122724 /nfs/dbraw/zinc/12/27/24/281122724.db2.gz NAFCEVDLHUTVNL-NVXWUHKLSA-N 2 2 258.409 3.104 20 0 CGADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530176683 288294461 /nfs/dbraw/zinc/29/44/61/288294461.db2.gz FOZLWJCVKAYECT-ZDUSSCGKSA-N 2 2 284.325 3.080 20 0 CGADLP Cc1cccc(C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)c1 ZINC000427878404 281219326 /nfs/dbraw/zinc/21/93/26/281219326.db2.gz AFYLHMCONSMGKC-ZWKOTPCHSA-N 2 2 295.430 3.117 20 0 CGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)CCC2 ZINC000350082093 281552876 /nfs/dbraw/zinc/55/28/76/281552876.db2.gz ULCWTFPRIAFTAJ-QEJZJMRPSA-N 2 2 261.413 3.237 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000531729159 288344787 /nfs/dbraw/zinc/34/47/87/288344787.db2.gz JELZHGKCHNCEJG-DOTOQJQBSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000531729159 288344788 /nfs/dbraw/zinc/34/47/88/288344788.db2.gz JELZHGKCHNCEJG-DOTOQJQBSA-N 2 2 288.435 3.140 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532239678 288357169 /nfs/dbraw/zinc/35/71/69/288357169.db2.gz WAZIPGGECDPVPA-IAGOWNOFSA-N 2 2 274.452 3.248 20 0 CGADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532239678 288357173 /nfs/dbraw/zinc/35/71/73/288357173.db2.gz WAZIPGGECDPVPA-IAGOWNOFSA-N 2 2 274.452 3.248 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532238660 288357485 /nfs/dbraw/zinc/35/74/85/288357485.db2.gz BALUEZUQRGXQTE-PMPSAXMXSA-N 2 2 260.425 3.110 20 0 CGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532238660 288357488 /nfs/dbraw/zinc/35/74/88/288357488.db2.gz BALUEZUQRGXQTE-PMPSAXMXSA-N 2 2 260.425 3.110 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446961 288361416 /nfs/dbraw/zinc/36/14/16/288361416.db2.gz GONQVAKBDUQLTD-YCPHGPKFSA-N 2 2 252.446 3.131 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000532446961 288361417 /nfs/dbraw/zinc/36/14/17/288361417.db2.gz GONQVAKBDUQLTD-YCPHGPKFSA-N 2 2 252.446 3.131 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000532540715 288366231 /nfs/dbraw/zinc/36/62/31/288366231.db2.gz VONSLIPIYBEVKI-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000532540715 288366233 /nfs/dbraw/zinc/36/62/33/288366233.db2.gz VONSLIPIYBEVKI-MPGHIAIKSA-N 2 2 272.436 3.437 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H](C)C2 ZINC000538709082 288583205 /nfs/dbraw/zinc/58/32/05/288583205.db2.gz LQUBLZDCLNDYTQ-MAUKXSAKSA-N 2 2 283.419 3.495 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000548498228 289010262 /nfs/dbraw/zinc/01/02/62/289010262.db2.gz LFDCNZSTDINOOC-CHWSQXEVSA-N 2 2 296.374 3.112 20 0 CGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000548498228 289010263 /nfs/dbraw/zinc/01/02/63/289010263.db2.gz LFDCNZSTDINOOC-CHWSQXEVSA-N 2 2 296.374 3.112 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@@H+]1C ZINC000437782103 289060429 /nfs/dbraw/zinc/06/04/29/289060429.db2.gz YCYRRBRWKXCGIW-FDYHWXHSSA-N 2 2 278.362 3.180 20 0 CGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[N@H+]1C ZINC000437782103 289060431 /nfs/dbraw/zinc/06/04/31/289060431.db2.gz YCYRRBRWKXCGIW-FDYHWXHSSA-N 2 2 278.362 3.180 20 0 CGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000437094183 289061343 /nfs/dbraw/zinc/06/13/43/289061343.db2.gz HTUJLVCCIGSUJO-GJZGRUSLSA-N 2 2 250.430 3.029 20 0 CGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccnc2ccccc12 ZINC000552487665 289190496 /nfs/dbraw/zinc/19/04/96/289190496.db2.gz MRXWGOOJURZASB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccnc2ccccc12 ZINC000552487665 289190498 /nfs/dbraw/zinc/19/04/98/289190498.db2.gz MRXWGOOJURZASB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc2ccccc12 ZINC000552487665 289190501 /nfs/dbraw/zinc/19/05/01/289190501.db2.gz MRXWGOOJURZASB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc2ccccc12 ZINC000552487665 289190504 /nfs/dbraw/zinc/19/05/04/289190504.db2.gz MRXWGOOJURZASB-SJORKVTESA-N 2 2 295.430 3.293 20 0 CGADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510757483 289207406 /nfs/dbraw/zinc/20/74/06/289207406.db2.gz XYGCMVSJJYKMJT-OTWHNJEPSA-N 2 2 286.463 3.328 20 0 CGADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)C(F)(F)F ZINC000554658694 289298578 /nfs/dbraw/zinc/29/85/78/289298578.db2.gz JELRGMSSIGUJLY-UHFFFAOYSA-N 2 2 271.286 3.012 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000555577164 289350102 /nfs/dbraw/zinc/35/01/02/289350102.db2.gz ACJJUXPICZSSEY-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP Cc1cc(Cl)cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000555577164 289350108 /nfs/dbraw/zinc/35/01/08/289350108.db2.gz ACJJUXPICZSSEY-UHFFFAOYSA-N 2 2 278.827 3.390 20 0 CGADLP Cc1ccccc1C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556429341 289391771 /nfs/dbraw/zinc/39/17/71/289391771.db2.gz AFROUMLOESGBJA-OAHLLOKOSA-N 2 2 283.419 3.249 20 0 CGADLP c1cc2c(cc1NC1CC[NH+](CC3CC3)CC1)CCC[NH2+]2 ZINC000560943706 289620659 /nfs/dbraw/zinc/62/06/59/289620659.db2.gz NVIQEUBVJCBGOM-UHFFFAOYSA-N 2 2 285.435 3.331 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357590 290229527 /nfs/dbraw/zinc/22/95/27/290229527.db2.gz DNIXJWUDQWEDRH-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357590 290229532 /nfs/dbraw/zinc/22/95/32/290229532.db2.gz DNIXJWUDQWEDRH-WBMJQRKESA-N 2 2 280.362 3.101 20 0 CGADLP Clc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000359498146 294109783 /nfs/dbraw/zinc/10/97/83/294109783.db2.gz BTYLBJCMJCXHGH-OAHLLOKOSA-N 2 2 294.826 3.239 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1C ZINC000313484440 297442478 /nfs/dbraw/zinc/44/24/78/297442478.db2.gz GNEQBUJVNTWRMU-XYVMCAHJSA-N 2 2 272.436 3.458 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC(C)(C)[NH3+])CCCO2 ZINC000423287688 301284119 /nfs/dbraw/zinc/28/41/19/301284119.db2.gz NVYCVKWWRPCHIO-ZDUSSCGKSA-N 2 2 282.815 3.189 20 0 CGADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCCO2 ZINC000423437712 301285202 /nfs/dbraw/zinc/28/52/02/301285202.db2.gz GLZJMKBCLUOEIT-UHIISALHSA-N 2 2 282.815 3.187 20 0 CGADLP Cc1cccc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000357678838 302005584 /nfs/dbraw/zinc/00/55/84/302005584.db2.gz GBEYZCGRCYHCRY-WMLDXEAASA-N 2 2 269.392 3.493 20 0 CGADLP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000298542321 302242622 /nfs/dbraw/zinc/24/26/22/302242622.db2.gz TWQAXMFNURNAEG-KRWDZBQOSA-N 2 2 287.451 3.304 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038115 303131754 /nfs/dbraw/zinc/13/17/54/303131754.db2.gz XXCLSQXPJYEONC-CXAGYDPISA-N 2 2 294.389 3.491 20 0 CGADLP Fc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000262038115 303131756 /nfs/dbraw/zinc/13/17/56/303131756.db2.gz XXCLSQXPJYEONC-CXAGYDPISA-N 2 2 294.389 3.491 20 0 CGADLP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000263093156 303381559 /nfs/dbraw/zinc/38/15/59/303381559.db2.gz YPDVHIQJABVWHC-ZDUSSCGKSA-N 2 2 272.314 3.191 20 0 CGADLP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000263093156 303381561 /nfs/dbraw/zinc/38/15/61/303381561.db2.gz YPDVHIQJABVWHC-ZDUSSCGKSA-N 2 2 272.314 3.191 20 0 CGADLP CC[C@@H](NC[C@H](CC(C)C)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182328265 327812989 /nfs/dbraw/zinc/81/29/89/327812989.db2.gz MTCSJZVFNRJINR-JKSUJKDBSA-N 2 2 294.487 3.217 20 0 CGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccn1 ZINC000158815755 321823679 /nfs/dbraw/zinc/82/36/79/321823679.db2.gz MWRZINHNCMWFCL-CYBMUJFWSA-N 2 2 280.375 3.241 20 0 CGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000564827826 322045619 /nfs/dbraw/zinc/04/56/19/322045619.db2.gz PMNXHZRMOSLULN-KBXCAEBGSA-N 2 2 284.403 3.077 20 0 CGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000565159321 322063568 /nfs/dbraw/zinc/06/35/68/322063568.db2.gz YMRAYKVKCAGCKZ-ZWNOBZJWSA-N 2 2 297.240 3.069 20 0 CGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000565159321 322063570 /nfs/dbraw/zinc/06/35/70/322063570.db2.gz YMRAYKVKCAGCKZ-ZWNOBZJWSA-N 2 2 297.240 3.069 20 0 CGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCC23CC3)[nH+]1 ZINC000565242457 322069913 /nfs/dbraw/zinc/06/99/13/322069913.db2.gz FGZMPDHDEBAYAQ-QGZVFWFLSA-N 2 2 295.430 3.396 20 0 CGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000568178151 322196308 /nfs/dbraw/zinc/19/63/08/322196308.db2.gz IELSCSSPVQLXQD-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000568178151 322196311 /nfs/dbraw/zinc/19/63/11/322196311.db2.gz IELSCSSPVQLXQD-INIZCTEOSA-N 2 2 294.483 3.142 20 0 CGADLP Cc1ccc(CCC[NH2+]C2CC(C(F)(F)F)C2)c[nH+]1 ZINC000568917907 322227466 /nfs/dbraw/zinc/22/74/66/322227466.db2.gz LKMHFDCBSNSMDA-UHFFFAOYSA-N 2 2 272.314 3.253 20 0 CGADLP Cc1ccc([C@@H]([NH2+]CC[NH+](C)C)C2CCCC2)cc1 ZINC000568916188 322227522 /nfs/dbraw/zinc/22/75/22/322227522.db2.gz ISSNSIXZSZVSAA-KRWDZBQOSA-N 2 2 260.425 3.378 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000570090070 322264663 /nfs/dbraw/zinc/26/46/63/322264663.db2.gz NCBXBSDJYMENED-HIFRSBDPSA-N 2 2 269.392 3.050 20 0 CGADLP CC[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000570090070 322264665 /nfs/dbraw/zinc/26/46/65/322264665.db2.gz NCBXBSDJYMENED-HIFRSBDPSA-N 2 2 269.392 3.050 20 0 CGADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(Cl)c1 ZINC000570688409 322280094 /nfs/dbraw/zinc/28/00/94/322280094.db2.gz XOCVXHIAAKRUPI-CYBMUJFWSA-N 2 2 277.799 3.271 20 0 CGADLP CCCC[C@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000571920444 322312205 /nfs/dbraw/zinc/31/22/05/322312205.db2.gz UMCJYPNQWHQKLZ-LSDHHAIUSA-N 2 2 251.418 3.468 20 0 CGADLP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586062 322396165 /nfs/dbraw/zinc/39/61/65/322396165.db2.gz HXAATGSTJADTAH-QZTJIDSGSA-N 2 2 294.483 3.332 20 0 CGADLP C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000573586062 322396166 /nfs/dbraw/zinc/39/61/66/322396166.db2.gz HXAATGSTJADTAH-QZTJIDSGSA-N 2 2 294.483 3.332 20 0 CGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4cc(N)ccc43)n2c1 ZINC000574218897 322429510 /nfs/dbraw/zinc/42/95/10/322429510.db2.gz JVQSABNMKJQKQB-QGZVFWFLSA-N 2 2 292.386 3.002 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000583360747 327319956 /nfs/dbraw/zinc/31/99/56/327319956.db2.gz PYWHVPALSPLNAB-PBHICJAKSA-N 2 2 288.435 3.004 20 0 CGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000583360747 327319958 /nfs/dbraw/zinc/31/99/58/327319958.db2.gz PYWHVPALSPLNAB-PBHICJAKSA-N 2 2 288.435 3.004 20 0 CGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000582495555 329100748 /nfs/dbraw/zinc/10/07/48/329100748.db2.gz MEKPYCSWAFJVJA-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000582495555 329100749 /nfs/dbraw/zinc/10/07/49/329100749.db2.gz MEKPYCSWAFJVJA-UHFFFAOYSA-N 2 2 257.381 3.493 20 0 CGADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1 ZINC000582719808 329130190 /nfs/dbraw/zinc/13/01/90/329130190.db2.gz QTSGADYHUWKEBX-YTQUADARSA-N 2 2 295.430 3.397 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582965011 329292902 /nfs/dbraw/zinc/29/29/02/329292902.db2.gz VTNBPSOTRDTVHI-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582965011 329292904 /nfs/dbraw/zinc/29/29/04/329292904.db2.gz VTNBPSOTRDTVHI-LRDDRELGSA-N 2 2 280.362 3.101 20 0 CGADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201647 335168631 /nfs/dbraw/zinc/16/86/31/335168631.db2.gz IMPLNDBGNZDQRO-STQMWFEESA-N 2 2 297.402 3.281 20 0 CGADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000576201647 335168633 /nfs/dbraw/zinc/16/86/33/335168633.db2.gz IMPLNDBGNZDQRO-STQMWFEESA-N 2 2 297.402 3.281 20 0 CGADLP CC1(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000576208987 335170288 /nfs/dbraw/zinc/17/02/88/335170288.db2.gz YRDOQCVWCZFDTQ-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP CC1(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000576208987 335170289 /nfs/dbraw/zinc/17/02/89/335170289.db2.gz YRDOQCVWCZFDTQ-GOSISDBHSA-N 2 2 272.436 3.431 20 0 CGADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000576820241 335251538 /nfs/dbraw/zinc/25/15/38/335251538.db2.gz QEOHAJMNVKXBII-CYBMUJFWSA-N 2 2 275.421 3.125 20 0 CGADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000576820241 335251540 /nfs/dbraw/zinc/25/15/40/335251540.db2.gz QEOHAJMNVKXBII-CYBMUJFWSA-N 2 2 275.421 3.125 20 0 CGADLP CC(C)OCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000577170885 335314306 /nfs/dbraw/zinc/31/43/06/335314306.db2.gz MIMQXGWINBUOQM-MAUKXSAKSA-N 2 2 290.451 3.232 20 0 CGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccoc1 ZINC000177937088 335406027 /nfs/dbraw/zinc/40/60/27/335406027.db2.gz ZVDYKCQCINBOAP-CQSZACIVSA-N 2 2 281.359 3.375 20 0 CGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000578148749 335529709 /nfs/dbraw/zinc/52/97/09/335529709.db2.gz YBHTZBJHRWFBRW-JXQTWKCFSA-N 2 2 296.374 3.032 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1nc2c(s1)CCC2 ZINC000579342049 335735797 /nfs/dbraw/zinc/73/57/97/335735797.db2.gz QQLNZEAVSSRBJU-PSOPSSQASA-N 2 2 299.443 3.427 20 0 CGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cn2ccccc2n1 ZINC000580783867 335966479 /nfs/dbraw/zinc/96/64/79/335966479.db2.gz NLLVAQQGLJPABS-AWEZNQCLSA-N 2 2 298.434 3.002 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198750 336023600 /nfs/dbraw/zinc/02/36/00/336023600.db2.gz UAVZEXVKHDECTP-IUCAKERBSA-N 2 2 278.343 3.079 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)(F)F)s1 ZINC000581198750 336023601 /nfs/dbraw/zinc/02/36/01/336023601.db2.gz UAVZEXVKHDECTP-IUCAKERBSA-N 2 2 278.343 3.079 20 0 CGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1nc(C)cs1 ZINC000581248813 336031585 /nfs/dbraw/zinc/03/15/85/336031585.db2.gz PJZVEITXPKPBNY-CQSZACIVSA-N 2 2 275.421 3.438 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000581254613 336032774 /nfs/dbraw/zinc/03/27/74/336032774.db2.gz OFYUNKRAUISVFM-GJZGRUSLSA-N 2 2 299.418 3.209 20 0 CGADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000581254613 336032775 /nfs/dbraw/zinc/03/27/75/336032775.db2.gz OFYUNKRAUISVFM-GJZGRUSLSA-N 2 2 299.418 3.209 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000382814038 336097461 /nfs/dbraw/zinc/09/74/61/336097461.db2.gz VWMFSHGTVSWAGK-NOLJZWGESA-N 2 2 250.430 3.170 20 0 CGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000382814038 336097462 /nfs/dbraw/zinc/09/74/62/336097462.db2.gz VWMFSHGTVSWAGK-NOLJZWGESA-N 2 2 250.430 3.170 20 0 CGADLP C[N@H+](CCOc1ccc2ccccc2c1)C1(C[NH3+])CCC1 ZINC000385317067 336144084 /nfs/dbraw/zinc/14/40/84/336144084.db2.gz NBGVYOWYWONERG-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[N@@H+](CCOc1ccc2ccccc2c1)C1(C[NH3+])CCC1 ZINC000385317067 336144086 /nfs/dbraw/zinc/14/40/86/336144086.db2.gz NBGVYOWYWONERG-UHFFFAOYSA-N 2 2 284.403 3.032 20 0 CGADLP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCCC[NH2+]1 ZINC000386100690 336166455 /nfs/dbraw/zinc/16/64/55/336166455.db2.gz JRBVVWIASITRMW-RISCZKNCSA-N 2 2 297.240 3.069 20 0 CGADLP COc1cccc2c(NCC(C)(C)C[NH+](C)C)cc[nH+]c12 ZINC000436176612 533842025 /nfs/dbraw/zinc/84/20/25/533842025.db2.gz DEZXTEUONBPZEQ-UHFFFAOYSA-N 2 2 287.407 3.243 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000440633828 533847600 /nfs/dbraw/zinc/84/76/00/533847600.db2.gz CBQSYRBHBUBGPA-UONOGXRCSA-N 2 2 297.402 3.282 20 0 CGADLP COc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000440633828 533847606 /nfs/dbraw/zinc/84/76/06/533847606.db2.gz CBQSYRBHBUBGPA-UONOGXRCSA-N 2 2 297.402 3.282 20 0 CGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[C@H]1C ZINC000414076676 533927429 /nfs/dbraw/zinc/92/74/29/533927429.db2.gz YNAXKCNTWWGTSX-JKIFEVAISA-N 2 2 269.392 3.066 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc2ccccc21 ZINC000423363838 533991775 /nfs/dbraw/zinc/99/17/75/533991775.db2.gz NYZFBGXXGIHHHH-SUNYJGFJSA-N 2 2 268.404 3.488 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000425365370 534001130 /nfs/dbraw/zinc/00/11/30/534001130.db2.gz YCCJRUYFLQIASY-GVDBMIGSSA-N 2 2 290.476 3.135 20 0 CGADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000425365370 534001137 /nfs/dbraw/zinc/00/11/37/534001137.db2.gz YCCJRUYFLQIASY-GVDBMIGSSA-N 2 2 290.476 3.135 20 0 CGADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000367437694 534063720 /nfs/dbraw/zinc/06/37/20/534063720.db2.gz JQDMYQJUTZESIJ-AWEZNQCLSA-N 2 2 269.392 3.113 20 0 CGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054764532 519783468 /nfs/dbraw/zinc/78/34/68/519783468.db2.gz PTSDNLSXUXBPQL-GFCCVEGCSA-N 2 2 259.353 3.048 20 0 CGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC000423251102 534451444 /nfs/dbraw/zinc/45/14/44/534451444.db2.gz WBABFQNOJFQUHQ-QZTJIDSGSA-N 2 2 266.388 3.272 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000149832178 520396357 /nfs/dbraw/zinc/39/63/57/520396357.db2.gz AWLQDXIIIZEDQP-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000149832178 520396367 /nfs/dbraw/zinc/39/63/67/520396367.db2.gz AWLQDXIIIZEDQP-SJORKVTESA-N 2 2 272.436 3.429 20 0 CGADLP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000087472381 521995426 /nfs/dbraw/zinc/99/54/26/521995426.db2.gz GNJWVMCLTAGODO-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000087472381 521995433 /nfs/dbraw/zinc/99/54/33/521995433.db2.gz GNJWVMCLTAGODO-UHFFFAOYSA-N 2 2 261.196 3.035 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000289861650 525728446 /nfs/dbraw/zinc/72/84/46/525728446.db2.gz VWDUPIZKCUXXEW-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000289861650 525728457 /nfs/dbraw/zinc/72/84/57/525728457.db2.gz VWDUPIZKCUXXEW-INIZCTEOSA-N 2 2 276.424 3.070 20 0 CGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423548604 534878587 /nfs/dbraw/zinc/87/85/87/534878587.db2.gz GWLFDJVJBBAWIO-YPMHNXCESA-N 2 2 281.469 3.368 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424323428 526286862 /nfs/dbraw/zinc/28/68/62/526286862.db2.gz JBQCKSXSVGBDRF-SJLPKXTDSA-N 2 2 290.426 3.476 20 0 CGADLP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414232949 526811775 /nfs/dbraw/zinc/81/17/75/526811775.db2.gz QUJFJDAQRFMWGL-UHFFFAOYSA-N 2 2 287.451 3.096 20 0 CGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032352 527835534 /nfs/dbraw/zinc/83/55/34/527835534.db2.gz XFFTWBMNYYDMNM-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032352 527835538 /nfs/dbraw/zinc/83/55/38/527835538.db2.gz XFFTWBMNYYDMNM-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032352 527835544 /nfs/dbraw/zinc/83/55/44/527835544.db2.gz XFFTWBMNYYDMNM-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C)c2F)C[C@H]1C ZINC000449032352 527835547 /nfs/dbraw/zinc/83/55/47/527835547.db2.gz XFFTWBMNYYDMNM-ZBFHGGJFSA-N 2 2 278.415 3.439 20 0 CGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000437100509 527973365 /nfs/dbraw/zinc/97/33/65/527973365.db2.gz VIMFIJYITXWXMN-GDAAHCPNSA-N 2 2 286.463 3.328 20 0 CGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000437100509 527973373 /nfs/dbraw/zinc/97/33/73/527973373.db2.gz VIMFIJYITXWXMN-GDAAHCPNSA-N 2 2 286.463 3.328 20 0 CGADLP CCCN(CC[NH+](CC)CC)c1cc[nH+]c2ccncc21 ZINC000359246333 528079271 /nfs/dbraw/zinc/07/92/71/528079271.db2.gz UINJQYPKFICCRS-UHFFFAOYSA-N 2 2 286.423 3.188 20 0 CGADLP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1(CC)CC ZINC000437118093 528141689 /nfs/dbraw/zinc/14/16/89/528141689.db2.gz VIYWBUUAZQEWPN-GJZGRUSLSA-N 2 2 282.472 3.044 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423245331 528333895 /nfs/dbraw/zinc/33/38/95/528333895.db2.gz MHJOYQOMDSLHDY-SECBINFHSA-N 2 2 261.196 3.254 20 0 CGADLP CC[NH2+]CC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423240045 528333988 /nfs/dbraw/zinc/33/39/88/528333988.db2.gz GXABUOPLGCDQPM-OAHLLOKOSA-N 2 2 266.816 3.380 20 0 CGADLP CC(C)C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000414129137 528359833 /nfs/dbraw/zinc/35/98/33/528359833.db2.gz ULJHIRQFGVQSTP-CQSZACIVSA-N 2 2 277.437 3.401 20 0 CGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000423383949 528422510 /nfs/dbraw/zinc/42/25/10/528422510.db2.gz PMXMCHYTKMSMLJ-OLZOCXBDSA-N 2 2 290.407 3.480 20 0 CGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423449551 528475094 /nfs/dbraw/zinc/47/50/94/528475094.db2.gz RUFKPCSOTHXPLW-VWYCJHECSA-N 2 2 270.804 3.125 20 0 CGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423307302 528512619 /nfs/dbraw/zinc/51/26/19/528512619.db2.gz GTQDIWMWMNMFPF-AWEZNQCLSA-N 2 2 256.393 3.490 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423311093 528515776 /nfs/dbraw/zinc/51/57/76/528515776.db2.gz PCYSJUIWNFGSST-LLVKDONJSA-N 2 2 274.330 3.356 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000423307269 528517291 /nfs/dbraw/zinc/51/72/91/528517291.db2.gz GNGPGMMVTNEITM-HNNXBMFYSA-N 2 2 278.465 3.430 20 0 CGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423312141 528517608 /nfs/dbraw/zinc/51/76/08/528517608.db2.gz REYLYBXCEGHCAO-HNNXBMFYSA-N 2 2 270.367 3.251 20 0 CGADLP CCCCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1(C)C ZINC000437090684 528637403 /nfs/dbraw/zinc/63/74/03/528637403.db2.gz BLGSSSFHMUYVBC-HUUCEWRRSA-N 2 2 282.472 3.044 20 0 CGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)oc21 ZINC000423244437 528698821 /nfs/dbraw/zinc/69/88/21/528698821.db2.gz XMGIBKLBKMPVEV-JSGCOSHPSA-N 2 2 288.391 3.234 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000178651895 528720852 /nfs/dbraw/zinc/72/08/52/528720852.db2.gz QWKIRTYZIQAKQK-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000178651895 528720855 /nfs/dbraw/zinc/72/08/55/528720855.db2.gz QWKIRTYZIQAKQK-ZBFHGGJFSA-N 2 2 276.424 3.220 20 0 CGADLP CC(C)n1c[nH+]cc1CN(C)CC[NH+](C(C)C)C(C)C ZINC000425366377 528899542 /nfs/dbraw/zinc/89/95/42/528899542.db2.gz ZXQPJGFYOQHRBT-UHFFFAOYSA-N 2 2 280.460 3.015 20 0 CGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423286382 528949955 /nfs/dbraw/zinc/94/99/55/528949955.db2.gz GYEURUMKUUENCZ-JTQLQIEISA-N 2 2 256.340 3.133 20 0 CGADLP CC(C)[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423393954 528972229 /nfs/dbraw/zinc/97/22/29/528972229.db2.gz MNCVZNDAFREZGO-SUMWQHHRSA-N 2 2 256.393 3.474 20 0 CGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427564189 529106340 /nfs/dbraw/zinc/10/63/40/529106340.db2.gz IYJXEAJKUHDROK-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000427564189 529106343 /nfs/dbraw/zinc/10/63/43/529106343.db2.gz IYJXEAJKUHDROK-ZWKOTPCHSA-N 2 2 274.452 3.328 20 0 CGADLP CC(C)[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1cccnc1 ZINC000423423816 529122763 /nfs/dbraw/zinc/12/27/63/529122763.db2.gz LAWUTWKROUGGFX-OALUTQOASA-N 2 2 295.430 3.255 20 0 CGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc(Cl)c1F ZINC000423481071 529173735 /nfs/dbraw/zinc/17/37/35/529173735.db2.gz WOGKKYCCTPIFHN-JOYOIKCWSA-N 2 2 258.768 3.257 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1F ZINC000427867489 529203621 /nfs/dbraw/zinc/20/36/21/529203621.db2.gz RVPYVRMLYZBIMR-IUODEOHRSA-N 2 2 291.345 3.217 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000368101941 529207900 /nfs/dbraw/zinc/20/79/00/529207900.db2.gz LUYULPXGPJTWKV-UONOGXRCSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000368101941 529207901 /nfs/dbraw/zinc/20/79/01/529207901.db2.gz LUYULPXGPJTWKV-UONOGXRCSA-N 2 2 273.355 3.147 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000368002803 529207938 /nfs/dbraw/zinc/20/79/38/529207938.db2.gz YJHDJFSLTFABHG-SMDDNHRTSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1F ZINC000368002803 529207939 /nfs/dbraw/zinc/20/79/39/529207939.db2.gz YJHDJFSLTFABHG-SMDDNHRTSA-N 2 2 291.345 3.286 20 0 CGADLP CC[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000093065397 529327427 /nfs/dbraw/zinc/32/74/27/529327427.db2.gz JCGOMXTYIGMJRG-GFCCVEGCSA-N 2 2 261.344 3.147 20 0 CGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904564 535819813 /nfs/dbraw/zinc/81/98/13/535819813.db2.gz GYIAKBVZBJMRQN-ZACQAIPSSA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422904564 535819814 /nfs/dbraw/zinc/81/98/14/535819814.db2.gz GYIAKBVZBJMRQN-ZACQAIPSSA-N 3 2 295.515 3.137 20 0 CGADLP CC[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000516562146 535915667 /nfs/dbraw/zinc/91/56/67/535915667.db2.gz VFVRBMCNJYJFGR-GJZGRUSLSA-N 2 2 258.365 3.053 20 0 CGADLP COc1cc(C)[nH+]c(CNc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000459740249 536696165 /nfs/dbraw/zinc/69/61/65/536696165.db2.gz BERXMPPVTYNHGL-UHFFFAOYSA-N 2 2 299.418 3.381 20 0 CGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000727467110 571748076 /nfs/dbraw/zinc/74/80/76/571748076.db2.gz MVYJJNKKZLDOKL-UHFFFAOYSA-N 2 2 284.403 3.342 20 0 CGADLP CCC[C@H](C)CCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000858346373 617617327 /nfs/dbraw/zinc/61/73/27/617617327.db2.gz LWLBNLAVZIOSNE-GJZGRUSLSA-N 2 2 251.418 3.468 20 0 CGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724920 618265621 /nfs/dbraw/zinc/26/56/21/618265621.db2.gz LGIHMTYFKMRCAP-DZGCQCFKSA-N 2 2 297.402 3.113 20 0 CGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000891724920 618265631 /nfs/dbraw/zinc/26/56/31/618265631.db2.gz LGIHMTYFKMRCAP-DZGCQCFKSA-N 2 2 297.402 3.113 20 0 CGADLP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732391 618309473 /nfs/dbraw/zinc/30/94/73/618309473.db2.gz PUXVTLNIKHZYSH-MXTKCAFNSA-N 2 2 290.838 3.237 20 0 CGADLP C[N@H+]1C[C@@H]2C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732391 618309481 /nfs/dbraw/zinc/30/94/81/618309481.db2.gz PUXVTLNIKHZYSH-MXTKCAFNSA-N 2 2 290.838 3.237 20 0 CGADLP C[NH+]1C[C@@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732391 618309489 /nfs/dbraw/zinc/30/94/89/618309489.db2.gz PUXVTLNIKHZYSH-MXTKCAFNSA-N 2 2 290.838 3.237 20 0 CGADLP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933732391 618309500 /nfs/dbraw/zinc/30/95/00/618309500.db2.gz PUXVTLNIKHZYSH-MXTKCAFNSA-N 2 2 290.838 3.237 20 0 CGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)no1)C[NH+](C)C ZINC000926476116 618703461 /nfs/dbraw/zinc/70/34/61/618703461.db2.gz YGWQJZCYNVSOQE-KBPBESRZSA-N 2 2 287.407 3.190 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000924573549 618856332 /nfs/dbraw/zinc/85/63/32/618856332.db2.gz QDQPEJRKHPCMFP-LSDHHAIUSA-N 2 2 291.439 3.005 20 0 CGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000924573549 618856333 /nfs/dbraw/zinc/85/63/33/618856333.db2.gz QDQPEJRKHPCMFP-LSDHHAIUSA-N 2 2 291.439 3.005 20 0 CGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccns1 ZINC000924578938 618875131 /nfs/dbraw/zinc/87/51/31/618875131.db2.gz FVKSFYRGOVHVBH-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccns1 ZINC000924578938 618875133 /nfs/dbraw/zinc/87/51/33/618875133.db2.gz FVKSFYRGOVHVBH-CQSZACIVSA-N 2 2 289.448 3.316 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000892649371 618886248 /nfs/dbraw/zinc/88/62/48/618886248.db2.gz LBZFZQPHUWXMPG-ZIAGYGMSSA-N 2 2 283.485 3.419 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000311230072 618897651 /nfs/dbraw/zinc/89/76/51/618897651.db2.gz ZKGZRWSMDLNITM-JOYOIKCWSA-N 2 2 276.758 3.315 20 0 CGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000311230072 618897652 /nfs/dbraw/zinc/89/76/52/618897652.db2.gz ZKGZRWSMDLNITM-JOYOIKCWSA-N 2 2 276.758 3.315 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926845101 618934161 /nfs/dbraw/zinc/93/41/61/618934161.db2.gz KNXSXDVADANPMK-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926845101 618934162 /nfs/dbraw/zinc/93/41/62/618934162.db2.gz KNXSXDVADANPMK-KFWWJZLASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926845109 618934407 /nfs/dbraw/zinc/93/44/07/618934407.db2.gz KNXSXDVADANPMK-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926845109 618934411 /nfs/dbraw/zinc/93/44/11/618934411.db2.gz KNXSXDVADANPMK-RBSFLKMASA-N 2 2 286.410 3.418 20 0 CGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019959526 618973306 /nfs/dbraw/zinc/97/33/06/618973306.db2.gz XKRLKMNCLKJVDS-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019959526 618973312 /nfs/dbraw/zinc/97/33/12/618973312.db2.gz XKRLKMNCLKJVDS-CQSZACIVSA-N 2 2 286.341 3.279 20 0 CGADLP CC[C@H](c1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509786 619190806 /nfs/dbraw/zinc/19/08/06/619190806.db2.gz AKULQMPETJCPAD-QGZVFWFLSA-N 2 2 267.376 3.173 20 0 CGADLP CC[C@H](c1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931509786 619190808 /nfs/dbraw/zinc/19/08/08/619190808.db2.gz AKULQMPETJCPAD-QGZVFWFLSA-N 2 2 267.376 3.173 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)sc1C ZINC000094965339 619291337 /nfs/dbraw/zinc/29/13/37/619291337.db2.gz YPSLSXIFTKZBQY-LBPRGKRZSA-N 2 2 281.469 3.114 20 0 CGADLP Cc1nc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)sc1C ZINC000094965339 619291339 /nfs/dbraw/zinc/29/13/39/619291339.db2.gz YPSLSXIFTKZBQY-LBPRGKRZSA-N 2 2 281.469 3.114 20 0 CGADLP CCc1onc(C)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925889145 619308761 /nfs/dbraw/zinc/30/87/61/619308761.db2.gz HPODHILYVCPOCJ-RDJZCZTQSA-N 2 2 299.418 3.128 20 0 CGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000895152431 619758681 /nfs/dbraw/zinc/75/86/81/619758681.db2.gz BXNAQHHTSJCWNZ-UHFFFAOYSA-N 2 2 287.860 3.149 20 0 CGADLP CC[C@@H](C)[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)OC ZINC000896193412 619964455 /nfs/dbraw/zinc/96/44/55/619964455.db2.gz BIFFUXBTWHLHBB-ZBFHGGJFSA-N 2 2 291.439 3.019 20 0 CGADLP CSC(C)(C)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195412 619964596 /nfs/dbraw/zinc/96/45/96/619964596.db2.gz ZZVQGUXKPQCBDP-UHFFFAOYSA-N 2 2 293.480 3.490 20 0 CGADLP CC(C)(C)[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1CC1 ZINC000925168970 620213101 /nfs/dbraw/zinc/21/31/01/620213101.db2.gz IZCWTKKBYYIGKV-ZIAGYGMSSA-N 2 2 261.413 3.175 20 0 CGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925197845 620227261 /nfs/dbraw/zinc/22/72/61/620227261.db2.gz WEKBTNOPXLZCHS-CYBMUJFWSA-N 2 2 281.444 3.451 20 0 CGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000897930187 620450428 /nfs/dbraw/zinc/45/04/28/620450428.db2.gz KFRUCFUDCWGPCZ-ZDUSSCGKSA-N 2 2 281.469 3.304 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000898017818 620466990 /nfs/dbraw/zinc/46/69/90/620466990.db2.gz UGXPJFLKZGAWAS-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000898017818 620466992 /nfs/dbraw/zinc/46/69/92/620466992.db2.gz UGXPJFLKZGAWAS-AGIUHOORSA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000898017820 620467011 /nfs/dbraw/zinc/46/70/11/620467011.db2.gz UGXPJFLKZGAWAS-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000898017820 620467013 /nfs/dbraw/zinc/46/70/13/620467013.db2.gz UGXPJFLKZGAWAS-JHJVBQTASA-N 2 2 272.383 3.027 20 0 CGADLP COc1c(Cl)cccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000902428913 621314219 /nfs/dbraw/zinc/31/42/19/621314219.db2.gz ICHBHFBELXXVAL-SNVBAGLBSA-N 2 2 291.782 3.007 20 0 CGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000902437858 621319391 /nfs/dbraw/zinc/31/93/91/621319391.db2.gz KRUBKCGUKXYKGD-RCCFBDPRSA-N 2 2 282.362 3.027 20 0 CGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccs1 ZINC000902445229 621322556 /nfs/dbraw/zinc/32/25/56/621322556.db2.gz PHHMPWSMULZRBL-WDBKCZKBSA-N 2 2 258.390 3.023 20 0 CGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C2CC2)c1 ZINC000902464907 621337367 /nfs/dbraw/zinc/33/73/67/621337367.db2.gz FHWXXWQAIMPMJR-KLWIRTJPSA-N 2 2 256.393 3.108 20 0 CGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc2c1 ZINC000902465359 621338152 /nfs/dbraw/zinc/33/81/52/621338152.db2.gz FRZISBIGNGMUQB-PHRNICBLSA-N 2 2 296.414 3.392 20 0 CGADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc2ccccc2c1 ZINC000902469322 621340549 /nfs/dbraw/zinc/34/05/49/621340549.db2.gz WVEPHZDKLPDIHI-DUOKCRBOSA-N 2 2 266.388 3.383 20 0 CGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902469307 621340828 /nfs/dbraw/zinc/34/08/28/621340828.db2.gz WNXJXSPCYMNPAK-KKBVYLPWSA-N 2 2 258.409 3.354 20 0 CGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470223 621341331 /nfs/dbraw/zinc/34/13/31/621341331.db2.gz UYMIOXLVHQRSHM-PSMGESJCSA-N 2 2 295.430 3.336 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000902618822 621386638 /nfs/dbraw/zinc/38/66/38/621386638.db2.gz JAJULDOHXKWWBI-ROUUACIJSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000902618822 621386641 /nfs/dbraw/zinc/38/66/41/621386641.db2.gz JAJULDOHXKWWBI-ROUUACIJSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000902618825 621386697 /nfs/dbraw/zinc/38/66/97/621386697.db2.gz JAJULDOHXKWWBI-ZWKOTPCHSA-N 2 2 287.451 3.143 20 0 CGADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000902618825 621386702 /nfs/dbraw/zinc/38/67/02/621386702.db2.gz JAJULDOHXKWWBI-ZWKOTPCHSA-N 2 2 287.451 3.143 20 0 CGADLP C[C@H]([NH2+]CCOC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902777244 621436249 /nfs/dbraw/zinc/43/62/49/621436249.db2.gz UMZCJNGBHBKMPY-HNNXBMFYSA-N 2 2 299.418 3.482 20 0 CGADLP C[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902877346 621480360 /nfs/dbraw/zinc/48/03/60/621480360.db2.gz OPLQAIXQOAVABW-OAHLLOKOSA-N 2 2 299.418 3.340 20 0 CGADLP COCCC1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902881058 621482602 /nfs/dbraw/zinc/48/26/02/621482602.db2.gz FBRUUTDOYAEDIQ-HNNXBMFYSA-N 2 2 299.418 3.340 20 0 CGADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903015718 621519128 /nfs/dbraw/zinc/51/91/28/621519128.db2.gz BALJYVRZDXAQTE-XKQJLSEDSA-N 2 2 285.391 3.090 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CO2 ZINC000903123603 621589201 /nfs/dbraw/zinc/58/92/01/621589201.db2.gz CFIMKRXGVUXXFI-NZZOQPFGSA-N 2 2 298.430 3.176 20 0 CGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CO2 ZINC000903123603 621589209 /nfs/dbraw/zinc/58/92/09/621589209.db2.gz CFIMKRXGVUXXFI-NZZOQPFGSA-N 2 2 298.430 3.176 20 0 CGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H]1C ZINC000903222126 621633703 /nfs/dbraw/zinc/63/37/03/621633703.db2.gz WGKBPQNDKQXDLT-DVZHBHJUSA-N 2 2 295.496 3.365 20 0 CGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000904340881 621909835 /nfs/dbraw/zinc/90/98/35/621909835.db2.gz MTULZNQDFDOCSU-HZPDHXFCSA-N 2 2 282.472 3.031 20 0 CGADLP Clc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421267 621921807 /nfs/dbraw/zinc/92/18/07/621921807.db2.gz WBDOZDCLUUIIHE-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Clc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421267 621921812 /nfs/dbraw/zinc/92/18/12/621921812.db2.gz WBDOZDCLUUIIHE-NWDGAFQWSA-N 2 2 285.218 3.035 20 0 CGADLP Cc1cc(C)cc(C2CC[NH+](C[C@H]([NH3+])CC(F)F)CC2)c1 ZINC000904474023 621925779 /nfs/dbraw/zinc/92/57/79/621925779.db2.gz WQVIJVPXCWUACI-MRXNPFEDSA-N 2 2 296.405 3.465 20 0 CGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000904471570 621925898 /nfs/dbraw/zinc/92/58/98/621925898.db2.gz JCCPITXZHXBGDJ-CZUORRHYSA-N 2 2 284.403 3.251 20 0 CGADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000213921591 623865653 /nfs/dbraw/zinc/86/56/53/623865653.db2.gz PNSIAGSIGINXFD-SNVBAGLBSA-N 2 2 260.303 3.047 20 0 CGADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000213921591 623865656 /nfs/dbraw/zinc/86/56/56/623865656.db2.gz PNSIAGSIGINXFD-SNVBAGLBSA-N 2 2 260.303 3.047 20 0 CGADLP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000920956701 624557090 /nfs/dbraw/zinc/55/70/90/624557090.db2.gz OVGBYEVFFDLFCX-GFCCVEGCSA-N 2 2 296.201 3.156 20 0 CGADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071119856 625058393 /nfs/dbraw/zinc/05/83/93/625058393.db2.gz GWTGKFQXOFMBOQ-OAGGEKHMSA-N 2 2 252.446 3.419 20 0 CGADLP C[NH+](C)CC[C@H]([NH2+]C/C=C/c1ccccc1)c1cccnc1 ZINC000922633039 626022505 /nfs/dbraw/zinc/02/25/05/626022505.db2.gz WZPBFDRXRCITAJ-IUYMFKLXSA-N 2 2 295.430 3.377 20 0 CGADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000760897421 627000888 /nfs/dbraw/zinc/00/08/88/627000888.db2.gz LLHGHEVRFAQYCY-CYBMUJFWSA-N 2 2 293.455 3.318 20 0 CGADLP CCOc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000765256560 627243817 /nfs/dbraw/zinc/24/38/17/627243817.db2.gz FEPKUPSSIFXQRB-HNNXBMFYSA-N 2 2 287.407 3.413 20 0 CGADLP COc1ccc2c(NCCNc3cccc[nH+]3)cc[nH+]c2c1 ZINC000765455886 627250889 /nfs/dbraw/zinc/25/08/89/627250889.db2.gz KJMOYRNVGSVONT-UHFFFAOYSA-N 2 2 294.358 3.162 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766273063 627310368 /nfs/dbraw/zinc/31/03/68/627310368.db2.gz MVROCLJCVAYYOZ-CABCVRRESA-N 2 2 260.425 3.384 20 0 CGADLP CCc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766273063 627310371 /nfs/dbraw/zinc/31/03/71/627310371.db2.gz MVROCLJCVAYYOZ-CABCVRRESA-N 2 2 260.425 3.384 20 0 CGADLP C[N@@H+]1CCCC[C@@H]1CCOc1ccccc1-n1cc[nH+]c1 ZINC000769384737 627547542 /nfs/dbraw/zinc/54/75/42/627547542.db2.gz NHSVASVLEJHTDI-OAHLLOKOSA-N 2 2 285.391 3.126 20 0 CGADLP C[N@H+]1CCCC[C@@H]1CCOc1ccccc1-n1cc[nH+]c1 ZINC000769384737 627547545 /nfs/dbraw/zinc/54/75/45/627547545.db2.gz NHSVASVLEJHTDI-OAHLLOKOSA-N 2 2 285.391 3.126 20 0 CGADLP C[C@@H](CCC1CC1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769407710 627549861 /nfs/dbraw/zinc/54/98/61/627549861.db2.gz QFLMYDUBWRHQRQ-DZGCQCFKSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@H](CCO)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000779349074 628409501 /nfs/dbraw/zinc/40/95/01/628409501.db2.gz VMEJKLJDWHTQFR-HZPDHXFCSA-N 2 2 290.451 3.011 20 0 CGADLP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000783239696 628692722 /nfs/dbraw/zinc/69/27/22/628692722.db2.gz METOBYDRFOPPKX-GJZGRUSLSA-N 2 2 282.497 3.126 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(C)CC1 ZINC000784514080 628818437 /nfs/dbraw/zinc/81/84/37/628818437.db2.gz PXMOTMJCUDHZAD-NSHDSACASA-N 2 2 261.394 3.212 20 0 CGADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC1(C)C ZINC000785483911 628865761 /nfs/dbraw/zinc/86/57/61/628865761.db2.gz AHOXFHWEIXRBEC-WMLDXEAASA-N 2 2 287.451 3.285 20 0 CGADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(C)c1OC(F)F ZINC000863483489 629588410 /nfs/dbraw/zinc/58/84/10/629588410.db2.gz BSAITFAQUAYOAS-TZMCWYRMSA-N 2 2 298.377 3.135 20 0 CGADLP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)[C@@H]1CCC[NH2+]1 ZINC000863548682 629604698 /nfs/dbraw/zinc/60/46/98/629604698.db2.gz RLQWAHIVSKEHFV-LKTVYLICSA-N 2 2 264.800 3.057 20 0 CGADLP COc1c(C)cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000796670362 629812716 /nfs/dbraw/zinc/81/27/16/629812716.db2.gz CSARNDSILZTASX-GFCCVEGCSA-N 2 2 293.798 3.204 20 0 CGADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000796717651 629818943 /nfs/dbraw/zinc/81/89/43/629818943.db2.gz QKJUFPOOSNIRPG-IAGOWNOFSA-N 2 2 269.392 3.397 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000796785788 629833669 /nfs/dbraw/zinc/83/36/69/629833669.db2.gz YYLDCDQBUJDNOQ-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000796785788 629833671 /nfs/dbraw/zinc/83/36/71/629833671.db2.gz YYLDCDQBUJDNOQ-KGLIPLIRSA-N 2 2 296.405 3.360 20 0 CGADLP Cc1c(Cl)cccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000865434142 630120994 /nfs/dbraw/zinc/12/09/94/630120994.db2.gz XXHAKVVCHXXICM-LBPRGKRZSA-N 2 2 277.799 3.271 20 0 CGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)F)CC2)cc1 ZINC000865653765 630254922 /nfs/dbraw/zinc/25/49/22/630254922.db2.gz YMJWIGDPHCGYMA-UHFFFAOYSA-N 2 2 293.430 3.059 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000800968154 630314117 /nfs/dbraw/zinc/31/41/17/630314117.db2.gz GVAPSQJFADMEKF-GBJTYRQASA-N 2 2 261.413 3.076 20 0 CGADLP Clc1nccc(C[NH2+]CCCCn2cc[nH+]c2)c1Cl ZINC000811475586 631070340 /nfs/dbraw/zinc/07/03/40/631070340.db2.gz QJLABMXMLPFXON-UHFFFAOYSA-N 2 2 299.205 3.155 20 0 CGADLP CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000866487247 633157544 /nfs/dbraw/zinc/15/75/44/633157544.db2.gz WJSPQGYUFBHHJQ-XNRPHZJLSA-N 2 2 287.432 3.417 20 0 CGADLP CC(C)(C)c1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)no1 ZINC000866705765 633234828 /nfs/dbraw/zinc/23/48/28/633234828.db2.gz AQRFXIFCSXRRPF-QGZVFWFLSA-N 2 2 293.455 3.169 20 0 CGADLP CC(C)(C)c1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)no1 ZINC000866705765 633234830 /nfs/dbraw/zinc/23/48/30/633234830.db2.gz AQRFXIFCSXRRPF-QGZVFWFLSA-N 2 2 293.455 3.169 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)C[N@@H+]1C1CC1 ZINC000824971687 633312978 /nfs/dbraw/zinc/31/29/78/633312978.db2.gz WRXSNYNLVGCJGS-WZRBSPASSA-N 2 2 291.266 3.175 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(C)CC2(Cl)Cl)C[N@H+]1C1CC1 ZINC000824971687 633312983 /nfs/dbraw/zinc/31/29/83/633312983.db2.gz WRXSNYNLVGCJGS-WZRBSPASSA-N 2 2 291.266 3.175 20 0 CGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000824984558 633314764 /nfs/dbraw/zinc/31/47/64/633314764.db2.gz YROOGJYXYQHWEP-FHLIZLRMSA-N 2 2 285.435 3.039 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872068773 633990638 /nfs/dbraw/zinc/99/06/38/633990638.db2.gz ZJICZAXSCZSTNY-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872068773 633990646 /nfs/dbraw/zinc/99/06/46/633990646.db2.gz ZJICZAXSCZSTNY-HZPDHXFCSA-N 2 2 294.483 3.188 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1C[NH3+] ZINC000872144497 634064313 /nfs/dbraw/zinc/06/43/13/634064313.db2.gz GQVUWXYJMJEPIG-GMTAPVOTSA-N 2 2 290.329 3.104 20 0 CGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1C[NH3+] ZINC000872144497 634064316 /nfs/dbraw/zinc/06/43/16/634064316.db2.gz GQVUWXYJMJEPIG-GMTAPVOTSA-N 2 2 290.329 3.104 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226958 634291977 /nfs/dbraw/zinc/29/19/77/634291977.db2.gz FHMJKHCKTUVDCO-GJZGRUSLSA-N 2 2 292.471 3.086 20 0 CGADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000873226958 634291982 /nfs/dbraw/zinc/29/19/82/634291982.db2.gz FHMJKHCKTUVDCO-GJZGRUSLSA-N 2 2 292.471 3.086 20 0 CGADLP c1ccc2cc(C[NH2+][C@@]34CCC[C@H]3[NH2+]CC4)ccc2c1 ZINC000873230361 634292396 /nfs/dbraw/zinc/29/23/96/634292396.db2.gz QFQBEVPKIVSREO-QZTJIDSGSA-N 2 2 266.388 3.214 20 0 CGADLP C[N@H+](CCCCCC[NH3+])Cc1ncc(C(F)(F)F)s1 ZINC000873231283 634293052 /nfs/dbraw/zinc/29/30/52/634293052.db2.gz CKUSBICAPXDEPR-UHFFFAOYSA-N 2 2 295.374 3.113 20 0 CGADLP C[N@@H+](CCCCCC[NH3+])Cc1ncc(C(F)(F)F)s1 ZINC000873231283 634293055 /nfs/dbraw/zinc/29/30/55/634293055.db2.gz CKUSBICAPXDEPR-UHFFFAOYSA-N 2 2 295.374 3.113 20 0 CGADLP FC(F)(F)c1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230842 634293475 /nfs/dbraw/zinc/29/34/75/634293475.db2.gz YOGTWLIPDSNJPE-ZIAGYGMSSA-N 2 2 284.325 3.080 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478419 635795240 /nfs/dbraw/zinc/79/52/40/635795240.db2.gz TWSGPCXRHHDLJK-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879478419 635795245 /nfs/dbraw/zinc/79/52/45/635795245.db2.gz TWSGPCXRHHDLJK-KRWDZBQOSA-N 2 2 287.382 3.152 20 0 CGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371335 635983770 /nfs/dbraw/zinc/98/37/70/635983770.db2.gz FQRULVOYDOSQDW-KRWDZBQOSA-N 2 2 269.392 3.203 20 0 CGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371335 635983771 /nfs/dbraw/zinc/98/37/71/635983771.db2.gz FQRULVOYDOSQDW-KRWDZBQOSA-N 2 2 269.392 3.203 20 0 CGADLP CC1([NH+]2CCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000880472329 636007373 /nfs/dbraw/zinc/00/73/73/636007373.db2.gz KBJQKWYNIUPANU-UHFFFAOYSA-N 2 2 292.854 3.443 20 0 CGADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472556 636007408 /nfs/dbraw/zinc/00/74/08/636007408.db2.gz SPAABDRGYZVLPL-CQSZACIVSA-N 2 2 276.399 3.447 20 0 CGADLP COC1(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000880569841 636022691 /nfs/dbraw/zinc/02/26/91/636022691.db2.gz QIPHLHMHKPMAJN-QGZVFWFLSA-N 2 2 299.418 3.173 20 0 CGADLP COC(C)(C)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570218 636022764 /nfs/dbraw/zinc/02/27/64/636022764.db2.gz UWIUCMWSQPZGOE-MRXNPFEDSA-N 2 2 287.407 3.029 20 0 CGADLP CCO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC1 ZINC000880570648 636023799 /nfs/dbraw/zinc/02/37/99/636023799.db2.gz XMXRZWXTJFAWTE-ZWKOTPCHSA-N 2 2 299.418 3.029 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cncs1 ZINC000129246505 636202189 /nfs/dbraw/zinc/20/21/89/636202189.db2.gz MIYIQCBLQBDTJA-AAEUAGOBSA-N 2 2 278.425 3.105 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129449089 636261480 /nfs/dbraw/zinc/26/14/80/636261480.db2.gz YRFOPRBWSAVYJO-UONOGXRCSA-N 2 2 263.429 3.466 20 0 CGADLP C[C@@H]([NH2+]CCc1ccns1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883248965 636619896 /nfs/dbraw/zinc/61/98/96/636619896.db2.gz NHXTYXKWTYFOFK-CYBMUJFWSA-N 2 2 298.415 3.222 20 0 CGADLP CC(C)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883345402 636690665 /nfs/dbraw/zinc/69/06/65/636690665.db2.gz BMAMONSEHDWOBR-KRWDZBQOSA-N 2 2 273.424 3.039 20 0 CGADLP CC(C)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883345402 636690668 /nfs/dbraw/zinc/69/06/68/636690668.db2.gz BMAMONSEHDWOBR-KRWDZBQOSA-N 2 2 273.424 3.039 20 0 CGADLP CCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000848998476 636710265 /nfs/dbraw/zinc/71/02/65/636710265.db2.gz LYENJGPSOZWLLN-UHFFFAOYSA-N 2 2 299.422 3.067 20 0 CGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCOCC1 ZINC000883386989 636728816 /nfs/dbraw/zinc/72/88/16/636728816.db2.gz PSZLECHXMIWYJV-YJBOKZPZSA-N 2 2 299.418 3.029 20 0 CGADLP CC1(C)C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883389615 636733328 /nfs/dbraw/zinc/73/33/28/636733328.db2.gz UVGKPTWSRJPBKK-IRXDYDNUSA-N 2 2 299.418 3.172 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416393 636749519 /nfs/dbraw/zinc/74/95/19/636749519.db2.gz TZSRZNZWSNVLCB-KSZLIROESA-N 2 2 288.435 3.110 20 0 CGADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883416393 636749525 /nfs/dbraw/zinc/74/95/25/636749525.db2.gz TZSRZNZWSNVLCB-KSZLIROESA-N 2 2 288.435 3.110 20 0 CGADLP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429069 636752495 /nfs/dbraw/zinc/75/24/95/636752495.db2.gz KUDNPJFGVDBAHF-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP C[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429069 636752497 /nfs/dbraw/zinc/75/24/97/636752497.db2.gz KUDNPJFGVDBAHF-DLBZAZTESA-N 2 2 288.435 3.110 20 0 CGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cscc1Cl ZINC000886199235 637455714 /nfs/dbraw/zinc/45/57/14/637455714.db2.gz PAJQALKXJRFPGP-UHFFFAOYSA-N 2 2 281.812 3.152 20 0 CGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000886707307 637666758 /nfs/dbraw/zinc/66/67/58/637666758.db2.gz DLJGNYZLBCIDEX-LBPRGKRZSA-N 2 2 291.266 3.131 20 0 CGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1c(C)noc1C ZINC000924930792 638425791 /nfs/dbraw/zinc/42/57/91/638425791.db2.gz OCNGJZAKFKYRTE-CYBMUJFWSA-N 2 2 281.444 3.454 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925185440 638469319 /nfs/dbraw/zinc/46/93/19/638469319.db2.gz CJJLXDPURXBLEJ-KKUMJFAQSA-N 2 2 270.486 3.125 20 0 CGADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925185440 638469326 /nfs/dbraw/zinc/46/93/26/638469326.db2.gz CJJLXDPURXBLEJ-KKUMJFAQSA-N 2 2 270.486 3.125 20 0 CGADLP CCO[C@H](CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000925526261 638519239 /nfs/dbraw/zinc/51/92/39/638519239.db2.gz HWWBTWKPUZKVIM-DJIMGWMZSA-N 2 2 278.440 3.116 20 0 CGADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000925528583 638520282 /nfs/dbraw/zinc/52/02/82/638520282.db2.gz FUSDXVFXOHPLBV-YVEFUNNKSA-N 2 2 290.357 3.185 20 0 CGADLP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925658174 638559338 /nfs/dbraw/zinc/55/93/38/638559338.db2.gz HAYPIOUVPFSMQX-IAGOWNOFSA-N 2 2 288.435 3.029 20 0 CGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000925668790 638563704 /nfs/dbraw/zinc/56/37/04/638563704.db2.gz KBTZOYNVKYUEFT-AWEZNQCLSA-N 2 2 260.406 3.131 20 0 CGADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1ccccc1 ZINC000925681824 638566989 /nfs/dbraw/zinc/56/69/89/638566989.db2.gz XYDYFRYOUIBXSE-CFVMTHIKSA-N 2 2 282.378 3.490 20 0 CGADLP c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc2c1[NH2+]CC2 ZINC000925690027 638570106 /nfs/dbraw/zinc/57/01/06/638570106.db2.gz CVNAVHNVARVJTH-SJLPKXTDSA-N 2 2 285.435 3.235 20 0 CGADLP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925838501 638628470 /nfs/dbraw/zinc/62/84/70/638628470.db2.gz MTHMREHHXZHFPA-LCGIIJARSA-N 2 2 294.389 3.156 20 0 CGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCc2cccnc21 ZINC000925871814 638637570 /nfs/dbraw/zinc/63/75/70/638637570.db2.gz ITAJZZJIQDKPMI-WBAXXEDZSA-N 2 2 295.430 3.007 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858286307 638672080 /nfs/dbraw/zinc/67/20/80/638672080.db2.gz VZAQIDVZFWWRAY-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858286307 638672082 /nfs/dbraw/zinc/67/20/82/638672082.db2.gz VZAQIDVZFWWRAY-GOSISDBHSA-N 2 2 295.430 3.341 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926150675 638723321 /nfs/dbraw/zinc/72/33/21/638723321.db2.gz MOQHTBNUDWQVQW-BPLDGKMQSA-N 2 2 293.480 3.162 20 0 CGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926150675 638723332 /nfs/dbraw/zinc/72/33/32/638723332.db2.gz MOQHTBNUDWQVQW-BPLDGKMQSA-N 2 2 293.480 3.162 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(F)(F)F ZINC000926367490 638766969 /nfs/dbraw/zinc/76/69/69/638766969.db2.gz MMJVKYWNFZOQSV-VXGBXAGGSA-N 2 2 278.362 3.181 20 0 CGADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C(F)(F)F ZINC000926367490 638766970 /nfs/dbraw/zinc/76/69/70/638766970.db2.gz MMJVKYWNFZOQSV-VXGBXAGGSA-N 2 2 278.362 3.181 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926425812 638769995 /nfs/dbraw/zinc/76/99/95/638769995.db2.gz LYUMGUWPTNHFKP-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP COCC(C)(C)CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926425812 638769997 /nfs/dbraw/zinc/76/99/97/638769997.db2.gz LYUMGUWPTNHFKP-HZPDHXFCSA-N 2 2 282.472 3.046 20 0 CGADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](C1CCC1)C1CCCC1)C2 ZINC000926451004 638772653 /nfs/dbraw/zinc/77/26/53/638772653.db2.gz VCLHIALYLYXOEH-RHSMWYFYSA-N 2 2 273.424 3.216 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926807014 638814266 /nfs/dbraw/zinc/81/42/66/638814266.db2.gz JZEAEKPOJJNNAT-DJIMGWMZSA-N 2 2 288.435 3.363 20 0 CGADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926807014 638814267 /nfs/dbraw/zinc/81/42/67/638814267.db2.gz JZEAEKPOJJNNAT-DJIMGWMZSA-N 2 2 288.435 3.363 20 0 CGADLP c1cn(C2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)c[nH+]1 ZINC000929803214 638952765 /nfs/dbraw/zinc/95/27/65/638952765.db2.gz FESAJBQQSISIRL-MRXNPFEDSA-N 2 2 289.423 3.012 20 0 CGADLP Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859213512 639110400 /nfs/dbraw/zinc/11/04/00/639110400.db2.gz WIGVXUZYVGNOJX-AWEZNQCLSA-N 2 2 287.407 3.238 20 0 CGADLP Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000859213512 639110403 /nfs/dbraw/zinc/11/04/03/639110403.db2.gz WIGVXUZYVGNOJX-AWEZNQCLSA-N 2 2 287.407 3.238 20 0 CGADLP C[NH+]1C[C@@]2(C)C[NH+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305337 639132562 /nfs/dbraw/zinc/13/25/62/639132562.db2.gz DHTIKNGGONJEQY-IRXDYDNUSA-N 2 2 292.854 3.156 20 0 CGADLP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000931375203 639143317 /nfs/dbraw/zinc/14/33/17/639143317.db2.gz UVVVYSMMSRMRJX-HZPDHXFCSA-N 2 2 269.392 3.452 20 0 CGADLP Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931724658 639196081 /nfs/dbraw/zinc/19/60/81/639196081.db2.gz FNQXITASPZDPGS-XHSDSOJGSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931724658 639196083 /nfs/dbraw/zinc/19/60/83/639196083.db2.gz FNQXITASPZDPGS-XHSDSOJGSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931724658 639196086 /nfs/dbraw/zinc/19/60/86/639196086.db2.gz FNQXITASPZDPGS-XHSDSOJGSA-N 2 2 258.409 3.225 20 0 CGADLP Cc1ccccc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931724658 639196091 /nfs/dbraw/zinc/19/60/91/639196091.db2.gz FNQXITASPZDPGS-XHSDSOJGSA-N 2 2 258.409 3.225 20 0 CGADLP CSCC(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934672076 639654719 /nfs/dbraw/zinc/65/47/19/639654719.db2.gz GHDTZZUTHOYMPQ-UHFFFAOYSA-N 2 2 275.421 3.104 20 0 CGADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415138676 640859280 /nfs/dbraw/zinc/85/92/80/640859280.db2.gz PVMDMFROABAZSY-GOSISDBHSA-N 2 2 284.403 3.323 20 0 CGADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000415138676 640859283 /nfs/dbraw/zinc/85/92/83/640859283.db2.gz PVMDMFROABAZSY-GOSISDBHSA-N 2 2 284.403 3.323 20 0 CGADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OC(F)F ZINC000019943282 641038727 /nfs/dbraw/zinc/03/87/27/641038727.db2.gz YKVUZVAQBFYLMS-UHFFFAOYSA-N 2 2 286.366 3.110 20 0 CGADLP Cc1nc(N(CCC[NH3+])C(C)C)cc(C2CCCCC2)[nH+]1 ZINC001156123980 805655519 /nfs/dbraw/zinc/65/55/19/805655519.db2.gz GBOAZITWKWQYRD-UHFFFAOYSA-N 2 2 290.455 3.396 20 0 CGADLP Cc1cccc2c1cc[nH+]c2NCc1ccc(N)[nH+]c1C ZINC001156980762 805762252 /nfs/dbraw/zinc/76/22/52/805762252.db2.gz OULXFUJOWQPKAX-UHFFFAOYSA-N 2 2 278.359 3.441 20 0 CGADLP C[NH+](C)CC(C)(C)CNc1cc2ccccc2c[nH+]1 ZINC001157942060 805905326 /nfs/dbraw/zinc/90/53/26/805905326.db2.gz MCHSNWFWCXSABW-UHFFFAOYSA-N 2 2 257.381 3.235 20 0 CGADLP Clc1ccc2[nH+]ccc(NC3=C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC001159154551 806052810 /nfs/dbraw/zinc/05/28/10/806052810.db2.gz ZEYLSLNNOYTVRD-NEPJUHHUSA-N 2 2 285.778 3.130 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257357665 807121823 /nfs/dbraw/zinc/12/18/23/807121823.db2.gz RSMXAKIMCUEXLE-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257357665 807121828 /nfs/dbraw/zinc/12/18/28/807121828.db2.gz RSMXAKIMCUEXLE-HOTGVXAUSA-N 2 2 282.472 3.188 20 0 CGADLP CC[N@H+](C)c1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC001160372308 806263080 /nfs/dbraw/zinc/26/30/80/806263080.db2.gz NSMXOKSGPYJVDZ-UHFFFAOYSA-N 2 2 285.391 3.224 20 0 CGADLP CC[N@@H+](C)c1ccc(Nc2cccc(OCC[NH3+])c2)cc1 ZINC001160372308 806263085 /nfs/dbraw/zinc/26/30/85/806263085.db2.gz NSMXOKSGPYJVDZ-UHFFFAOYSA-N 2 2 285.391 3.224 20 0 CGADLP CCCC[C@@H](CC)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841526 806495915 /nfs/dbraw/zinc/49/59/15/806495915.db2.gz XYDUGSDBNVDAEO-GDBMZVCRSA-N 2 2 252.446 3.277 20 0 CGADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2CC3CC[NH+](CC3)C2)c1 ZINC001254843740 806495992 /nfs/dbraw/zinc/49/59/92/806495992.db2.gz GPQGZMGYPVGTBH-QGZVFWFLSA-N 2 2 272.436 3.304 20 0 CGADLP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853524 806501198 /nfs/dbraw/zinc/50/11/98/806501198.db2.gz XKXBWGCZPBAOOE-QZTJIDSGSA-N 2 2 284.447 3.180 20 0 CGADLP CC[NH+](CC)C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001162308155 806551525 /nfs/dbraw/zinc/55/15/25/806551525.db2.gz PVGTXLUJZVNCTH-CYBMUJFWSA-N 2 2 297.406 3.025 20 0 CGADLP [NH3+][C@@H]1CCC[C@H](Nc2cc[nH+]c(OCc3ccccc3)c2)C1 ZINC001162395079 806575115 /nfs/dbraw/zinc/57/51/15/806575115.db2.gz BTFSHLQODORKHJ-CVEARBPZSA-N 2 2 297.402 3.342 20 0 CGADLP COc1cccc2c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)cc[nH+]c12 ZINC001162467373 806591277 /nfs/dbraw/zinc/59/12/77/806591277.db2.gz QCUBEWTWODAFJX-KBPBESRZSA-N 2 2 299.418 3.291 20 0 CGADLP C[C@@H]1C[C@@H](CNc2ccc(C3(C(F)(F)F)CC3)c[nH+]2)C[NH2+]1 ZINC001162557170 806618472 /nfs/dbraw/zinc/61/84/72/806618472.db2.gz CLCXWCNNGCFBGV-GHMZBOCLSA-N 2 2 299.340 3.085 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522688 806662707 /nfs/dbraw/zinc/66/27/07/806662707.db2.gz UPAWCWPIEJWYIT-RYSNWHEDSA-N 2 2 290.373 3.134 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522688 806662709 /nfs/dbraw/zinc/66/27/09/806662709.db2.gz UPAWCWPIEJWYIT-RYSNWHEDSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522688 806662712 /nfs/dbraw/zinc/66/27/12/806662712.db2.gz UPAWCWPIEJWYIT-RYSNWHEDSA-N 2 2 290.373 3.134 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)C[C@@H]21 ZINC001255522688 806662713 /nfs/dbraw/zinc/66/27/13/806662713.db2.gz UPAWCWPIEJWYIT-RYSNWHEDSA-N 2 2 290.373 3.134 20 0 CGADLP Cc1cc(NC2CC3(C2)CCC[NH2+]C3)nc(C(C)(C)C)[nH+]1 ZINC001162986614 806690526 /nfs/dbraw/zinc/69/05/26/806690526.db2.gz QXUHSBVJVMHHRK-UHFFFAOYSA-N 2 2 288.439 3.027 20 0 CGADLP C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000037102249 798859509 /nfs/dbraw/zinc/85/95/09/798859509.db2.gz VNIJKVQCJBDNRA-HNNXBMFYSA-N 2 2 287.451 3.429 20 0 CGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccs1 ZINC000037156289 798860025 /nfs/dbraw/zinc/86/00/25/798860025.db2.gz GJWJWXGRHFPRDE-ZDUSSCGKSA-N 2 2 263.410 3.149 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000092587805 798958506 /nfs/dbraw/zinc/95/85/06/798958506.db2.gz XVMGWSWHUIJQBL-INIZCTEOSA-N 2 2 276.424 3.224 20 0 CGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000092587805 798958508 /nfs/dbraw/zinc/95/85/08/798958508.db2.gz XVMGWSWHUIJQBL-INIZCTEOSA-N 2 2 276.424 3.224 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000159265282 799072798 /nfs/dbraw/zinc/07/27/98/799072798.db2.gz ARBJDQNEVVMJFP-QGZVFWFLSA-N 2 2 275.440 3.243 20 0 CGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC000328376200 799251907 /nfs/dbraw/zinc/25/19/07/799251907.db2.gz UAWPSIQUIISKPW-UKRRQHHQSA-N 2 2 280.843 3.345 20 0 CGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2Cl)C1 ZINC000328376200 799251911 /nfs/dbraw/zinc/25/19/11/799251911.db2.gz UAWPSIQUIISKPW-UKRRQHHQSA-N 2 2 280.843 3.345 20 0 CGADLP COc1ccc2cc(C[N@@H+]3CCC[C@H]([NH3+])[C@H]3C)ccc2c1 ZINC000381600706 799382722 /nfs/dbraw/zinc/38/27/22/799382722.db2.gz NEGDFBGDSGNWBX-ACJLOTCBSA-N 2 2 284.403 3.160 20 0 CGADLP COc1ccc2cc(C[N@H+]3CCC[C@H]([NH3+])[C@H]3C)ccc2c1 ZINC000381600706 799382730 /nfs/dbraw/zinc/38/27/30/799382730.db2.gz NEGDFBGDSGNWBX-ACJLOTCBSA-N 2 2 284.403 3.160 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000381741086 799385940 /nfs/dbraw/zinc/38/59/40/799385940.db2.gz MAADLTOFCNBYSF-YOEHRIQHSA-N 2 2 260.425 3.197 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000381741086 799385948 /nfs/dbraw/zinc/38/59/48/799385948.db2.gz MAADLTOFCNBYSF-YOEHRIQHSA-N 2 2 260.425 3.197 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795719 799386903 /nfs/dbraw/zinc/38/69/03/799386903.db2.gz SXAQUAJLUWEIRK-HZMBPMFUSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c[nH]c2cc(Cl)ccc12 ZINC000381795719 799386909 /nfs/dbraw/zinc/38/69/09/799386909.db2.gz SXAQUAJLUWEIRK-HZMBPMFUSA-N 2 2 277.799 3.133 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390594665 799472318 /nfs/dbraw/zinc/47/23/18/799472318.db2.gz SCIDFBBCHRPFOY-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390594665 799472320 /nfs/dbraw/zinc/47/23/20/799472320.db2.gz SCIDFBBCHRPFOY-OIISXLGYSA-N 2 2 258.409 3.039 20 0 CGADLP Cc1ccc(C[C@@H](C)n2cc[nH+]c2[C@H]2CCC[NH2+]C2)cc1 ZINC001255791951 806753327 /nfs/dbraw/zinc/75/33/27/806753327.db2.gz HKCDFAPBIDPJBH-WBVHZDCISA-N 2 2 283.419 3.462 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CS1 ZINC000689405683 799764856 /nfs/dbraw/zinc/76/48/56/799764856.db2.gz IUFGWSMUWCTVHR-MGPQQGTHSA-N 2 2 281.469 3.172 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CS1 ZINC000689579998 799766044 /nfs/dbraw/zinc/76/60/44/799766044.db2.gz FQSUEYQRMUDJJT-ZFWWWQNUSA-N 2 2 287.432 3.246 20 0 CGADLP C[C@H](Cc1ccc(F)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001255874565 806778256 /nfs/dbraw/zinc/77/82/56/806778256.db2.gz BHSDSRUTXVMWCK-HIFRSBDPSA-N 2 2 287.382 3.293 20 0 CGADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC001255941399 806789358 /nfs/dbraw/zinc/78/93/58/806789358.db2.gz PVEPHXCQLIGSHK-XJKSGUPXSA-N 2 2 294.414 3.359 20 0 CGADLP C[C@H](CC[NH2+]Cc1csc(C(F)(F)F)c1)[NH+](C)C ZINC000705650350 799952985 /nfs/dbraw/zinc/95/29/85/799952985.db2.gz MQIGZCMRPNRZPU-SECBINFHSA-N 2 2 280.359 3.197 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC001255944741 806791391 /nfs/dbraw/zinc/79/13/91/806791391.db2.gz YQPPFUHQMOUCCM-LLVKDONJSA-N 2 2 288.357 3.314 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1Cc2cccc(C)c2C1 ZINC001255956156 806798026 /nfs/dbraw/zinc/79/80/26/806798026.db2.gz HHUBMQOMMFDDOJ-OAHLLOKOSA-N 2 2 260.425 3.431 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1Cc2cccc(C)c2C1 ZINC001255956156 806798030 /nfs/dbraw/zinc/79/80/30/806798030.db2.gz HHUBMQOMMFDDOJ-OAHLLOKOSA-N 2 2 260.425 3.431 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC001255963849 806801966 /nfs/dbraw/zinc/80/19/66/806801966.db2.gz LOOAEPACAIZISP-MRXNPFEDSA-N 2 2 290.451 3.312 20 0 CGADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001255963849 806801973 /nfs/dbraw/zinc/80/19/73/806801973.db2.gz LOOAEPACAIZISP-MRXNPFEDSA-N 2 2 290.451 3.312 20 0 CGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cn1 ZINC000715799183 800147336 /nfs/dbraw/zinc/14/73/36/800147336.db2.gz YESABDHWWNLUPD-CQSZACIVSA-N 2 2 292.814 3.136 20 0 CGADLP FC1(F)CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716275495 800167832 /nfs/dbraw/zinc/16/78/32/800167832.db2.gz FQRXMELQTBPSPQ-UHFFFAOYSA-N 2 2 294.389 3.286 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001256080425 806814771 /nfs/dbraw/zinc/81/47/71/806814771.db2.gz VIOGYMMYIZOXSW-PBHICJAKSA-N 2 2 262.441 3.268 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001256080425 806814777 /nfs/dbraw/zinc/81/47/77/806814777.db2.gz VIOGYMMYIZOXSW-PBHICJAKSA-N 2 2 262.441 3.268 20 0 CGADLP C1CC1[NH+]1CCC([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001256082154 806816432 /nfs/dbraw/zinc/81/64/32/806816432.db2.gz UNZCQJUOPABOJX-HUUCEWRRSA-N 2 2 262.441 3.125 20 0 CGADLP C1CC1[NH+]1CCC([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001256082154 806816436 /nfs/dbraw/zinc/81/64/36/806816436.db2.gz UNZCQJUOPABOJX-HUUCEWRRSA-N 2 2 262.441 3.125 20 0 CGADLP c1cn(CC[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)c[nH+]1 ZINC001256105449 806820488 /nfs/dbraw/zinc/82/04/88/806820488.db2.gz FDOHWNUENREABX-DLBZAZTESA-N 2 2 269.392 3.199 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C[NH+](C)C)cs2)[C@H]1C ZINC000722392269 800320045 /nfs/dbraw/zinc/32/00/45/800320045.db2.gz SLDUTVFJSQTIFR-DYEKYZERSA-N 2 2 281.469 3.119 20 0 CGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000722391792 800321140 /nfs/dbraw/zinc/32/11/40/800321140.db2.gz HNFNGVDVNDIPQM-VXGBXAGGSA-N 2 2 281.469 3.119 20 0 CGADLP COc1cccc(C[C@H](C)[NH2+]Cc2ccc3[nH+]ccn3c2)c1 ZINC001256157957 806838775 /nfs/dbraw/zinc/83/87/75/806838775.db2.gz YQCQVPRTXMKROG-AWEZNQCLSA-N 2 2 295.386 3.064 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207837 806848546 /nfs/dbraw/zinc/84/85/46/806848546.db2.gz UVUIPIVEKXMMMC-SFHVURJKSA-N 2 2 288.435 3.316 20 0 CGADLP CCOc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)cc1 ZINC001256207837 806848548 /nfs/dbraw/zinc/84/85/48/806848548.db2.gz UVUIPIVEKXMMMC-SFHVURJKSA-N 2 2 288.435 3.316 20 0 CGADLP C[NH+]1CCC([N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001256203536 806848823 /nfs/dbraw/zinc/84/88/23/806848823.db2.gz ZSUCJWPKTRVCDQ-QGZVFWFLSA-N 2 2 258.409 3.308 20 0 CGADLP C[NH+]1CCC([N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC001256203536 806848830 /nfs/dbraw/zinc/84/88/30/806848830.db2.gz ZSUCJWPKTRVCDQ-QGZVFWFLSA-N 2 2 258.409 3.308 20 0 CGADLP Cc1[nH+]ccn1CCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC001163919236 806850040 /nfs/dbraw/zinc/85/00/40/806850040.db2.gz CIRSNOSJHCGFLP-UHFFFAOYSA-N 2 2 280.375 3.469 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544631 806912388 /nfs/dbraw/zinc/91/23/88/806912388.db2.gz ZTSDCBVZKLJSMU-JOCBIADPSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256544631 806912394 /nfs/dbraw/zinc/91/23/94/806912394.db2.gz ZTSDCBVZKLJSMU-JOCBIADPSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544631 806912398 /nfs/dbraw/zinc/91/23/98/806912398.db2.gz ZTSDCBVZKLJSMU-JOCBIADPSA-N 2 2 290.426 3.472 20 0 CGADLP C[C@@H]1C[C@@H](F)C[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256544631 806912404 /nfs/dbraw/zinc/91/24/04/806912404.db2.gz ZTSDCBVZKLJSMU-JOCBIADPSA-N 2 2 290.426 3.472 20 0 CGADLP F[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256607443 806923365 /nfs/dbraw/zinc/92/33/65/806923365.db2.gz MWOHWDMQRXBXKD-MRXNPFEDSA-N 2 2 276.399 3.085 20 0 CGADLP F[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256607443 806923370 /nfs/dbraw/zinc/92/33/70/806923370.db2.gz MWOHWDMQRXBXKD-MRXNPFEDSA-N 2 2 276.399 3.085 20 0 CGADLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1N ZINC001244308544 803290796 /nfs/dbraw/zinc/29/07/96/803290796.db2.gz ILFANBIRCJAGFN-GOSISDBHSA-N 2 2 295.430 3.031 20 0 CGADLP CCc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1N ZINC001244308544 803290800 /nfs/dbraw/zinc/29/08/00/803290800.db2.gz ILFANBIRCJAGFN-GOSISDBHSA-N 2 2 295.430 3.031 20 0 CGADLP C[NH2+]Cc1cccc(-c2cccc3[nH+]c(C)cn32)c1F ZINC001244859122 803551709 /nfs/dbraw/zinc/55/17/09/803551709.db2.gz MJKHZPJQQLKDHX-UHFFFAOYSA-N 2 2 269.323 3.168 20 0 CGADLP [NH3+]C[C@@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1 ZINC001246077809 804116233 /nfs/dbraw/zinc/11/62/33/804116233.db2.gz UGACQMWBYOMKSG-WMLDXEAASA-N 2 2 286.806 3.097 20 0 CGADLP CCCCCC(CCCCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246091622 804123489 /nfs/dbraw/zinc/12/34/89/804123489.db2.gz GAACMLBNHUJGMR-MRXNPFEDSA-N 2 2 270.461 3.094 20 0 CGADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001246115107 804146427 /nfs/dbraw/zinc/14/64/27/804146427.db2.gz GIGNXBAGIAJSLT-COPLHBTASA-N 2 2 284.856 3.018 20 0 CGADLP CCCC[C@H](CC(C)C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246149234 804169483 /nfs/dbraw/zinc/16/94/83/804169483.db2.gz UDNGROVVILMPKT-IAGOWNOFSA-N 3 2 295.515 3.055 20 0 CGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2F)CC[NH2+]1 ZINC001246159573 804175783 /nfs/dbraw/zinc/17/57/83/804175783.db2.gz AJAASHLAYXTRSH-ONGXEEELSA-N 2 2 290.304 3.075 20 0 CGADLP C[C@]1(CF)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356633 804181248 /nfs/dbraw/zinc/18/12/48/804181248.db2.gz PHDXMYNDHGBLEF-MRXNPFEDSA-N 2 2 273.355 3.054 20 0 CGADLP C[C@]1(CF)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356633 804181250 /nfs/dbraw/zinc/18/12/50/804181250.db2.gz PHDXMYNDHGBLEF-MRXNPFEDSA-N 2 2 273.355 3.054 20 0 CGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246164593 804181431 /nfs/dbraw/zinc/18/14/31/804181431.db2.gz XMDFPNMITWFPRN-JSGCOSHPSA-N 2 2 284.806 3.345 20 0 CGADLP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccncc2)cc1 ZINC001246179575 804193361 /nfs/dbraw/zinc/19/33/61/804193361.db2.gz QIAUNIFHBWJSRF-ZZJWQFMZSA-N 2 2 293.414 3.044 20 0 CGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2OC)CC[NH2+]1 ZINC001246188300 804198666 /nfs/dbraw/zinc/19/86/66/804198666.db2.gz SCVPGISTSCUOPG-KGLIPLIRSA-N 2 2 294.414 3.235 20 0 CGADLP C[C@H](CSc1ccc(F)cc1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246191096 804200546 /nfs/dbraw/zinc/20/05/46/804200546.db2.gz UBBIDVVELPEFBL-IUODEOHRSA-N 2 2 282.428 3.038 20 0 CGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197040 804203329 /nfs/dbraw/zinc/20/33/29/804203329.db2.gz XVHXDHUYCITXCH-BRWVUGGUSA-N 3 2 295.515 3.007 20 0 CGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246197040 804203336 /nfs/dbraw/zinc/20/33/36/804203336.db2.gz XVHXDHUYCITXCH-BRWVUGGUSA-N 3 2 295.515 3.007 20 0 CGADLP CCCCCC[C@@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246207184 804207104 /nfs/dbraw/zinc/20/71/04/804207104.db2.gz XKYDLKUNNMQVES-QLFBSQMISA-N 2 2 258.425 3.415 20 0 CGADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)C)C2)c(F)c1F ZINC001246224825 804218637 /nfs/dbraw/zinc/21/86/37/804218637.db2.gz JGVWGBNOSXQUII-KBPBESRZSA-N 2 2 282.378 3.139 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2F)CC[NH2+]1 ZINC001246226707 804220694 /nfs/dbraw/zinc/22/06/94/804220694.db2.gz TXRREQCAZSAILE-GHMZBOCLSA-N 2 2 288.769 3.238 20 0 CGADLP CC(C)([NH2+]C1CC[NH2+]CC1)c1ccccc1Br ZINC001246253444 804239003 /nfs/dbraw/zinc/23/90/03/804239003.db2.gz MATLMXDSRWVADP-UHFFFAOYSA-N 2 2 297.240 3.026 20 0 CGADLP CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2F)CC[NH2+]1 ZINC001246272303 804249968 /nfs/dbraw/zinc/24/99/68/804249968.db2.gz YNAVSBZHPIFOBC-GHMZBOCLSA-N 2 2 288.769 3.238 20 0 CGADLP C[C@H]1CC[C@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C[NH2+]1 ZINC001246281963 804257007 /nfs/dbraw/zinc/25/70/07/804257007.db2.gz XUBFIGPSGNDVLQ-MMVIWPHWSA-N 2 2 294.389 3.342 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)F ZINC001139801976 804283944 /nfs/dbraw/zinc/28/39/44/804283944.db2.gz HTEDNIZIKMSGSV-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1C(F)F ZINC001139801976 804283951 /nfs/dbraw/zinc/28/39/51/804283951.db2.gz HTEDNIZIKMSGSV-UHFFFAOYSA-N 2 2 279.334 3.343 20 0 CGADLP CC[N@H+](Cc1cncc2ccccc21)C1CC[NH+](C)CC1 ZINC001139895227 804321264 /nfs/dbraw/zinc/32/12/64/804321264.db2.gz DYMAMUXDMAOWPG-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](Cc1cncc2ccccc21)C1CC[NH+](C)CC1 ZINC001139895227 804321273 /nfs/dbraw/zinc/32/12/73/804321273.db2.gz DYMAMUXDMAOWPG-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC001246460178 804343150 /nfs/dbraw/zinc/34/31/50/804343150.db2.gz CRPMUCWCOUUBOP-HUUCEWRRSA-N 2 2 268.351 3.148 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246513531 804369185 /nfs/dbraw/zinc/36/91/85/804369185.db2.gz XULCNJNSKQJIFX-LXZKKBNFSA-N 2 2 278.440 3.499 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC001246523347 804379555 /nfs/dbraw/zinc/37/95/55/804379555.db2.gz FNUNRJCZIBEGHA-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC001246523347 804379564 /nfs/dbraw/zinc/37/95/64/804379564.db2.gz FNUNRJCZIBEGHA-GFCCVEGCSA-N 2 2 284.856 3.116 20 0 CGADLP CCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC001246528461 804380613 /nfs/dbraw/zinc/38/06/13/804380613.db2.gz XKADYUCEAIYFMV-HZPDHXFCSA-N 2 2 292.423 3.031 20 0 CGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC001246526445 804381615 /nfs/dbraw/zinc/38/16/15/804381615.db2.gz XLRXQUBCONCHJL-ZDUSSCGKSA-N 2 2 299.245 3.146 20 0 CGADLP Clc1cc2c(cc1Cl)C[C@@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC001246526445 804381618 /nfs/dbraw/zinc/38/16/18/804381618.db2.gz XLRXQUBCONCHJL-ZDUSSCGKSA-N 2 2 299.245 3.146 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246545960 804395882 /nfs/dbraw/zinc/39/58/82/804395882.db2.gz LUQSBYWUJGUINE-YUTCNCBUSA-N 2 2 278.827 3.009 20 0 CGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246545960 804395891 /nfs/dbraw/zinc/39/58/91/804395891.db2.gz LUQSBYWUJGUINE-YUTCNCBUSA-N 2 2 278.827 3.009 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246568160 804415372 /nfs/dbraw/zinc/41/53/72/804415372.db2.gz ZYVUEGVZWMCLDX-GVDBMIGSSA-N 2 2 278.415 3.159 20 0 CGADLP CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246568160 804415376 /nfs/dbraw/zinc/41/53/76/804415376.db2.gz ZYVUEGVZWMCLDX-GVDBMIGSSA-N 2 2 278.415 3.159 20 0 CGADLP CC[C@@H]1CC([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246588838 804432209 /nfs/dbraw/zinc/43/22/09/804432209.db2.gz LEODFCZXHIORTC-UXOAXIEHSA-N 2 2 274.399 3.068 20 0 CGADLP CC[C@@H]1CC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246588838 804432214 /nfs/dbraw/zinc/43/22/14/804432214.db2.gz LEODFCZXHIORTC-UXOAXIEHSA-N 2 2 274.399 3.068 20 0 CGADLP Nc1[nH+]cccc1Nc1ccccc1C[NH+]1CCCC1 ZINC001212399402 815018221 /nfs/dbraw/zinc/01/82/21/815018221.db2.gz BHOLVVPNXSAOMD-UHFFFAOYSA-N 2 2 268.364 3.003 20 0 CGADLP Fc1ccc(C2CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246784686 804509521 /nfs/dbraw/zinc/50/95/21/804509521.db2.gz IDPLWHWPLVRINP-KRWDZBQOSA-N 2 2 276.399 3.147 20 0 CGADLP F[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCCC1(F)F ZINC001140801925 804520573 /nfs/dbraw/zinc/52/05/73/804520573.db2.gz KZDVWQYFNCVSFT-ZDUSSCGKSA-N 2 2 283.297 3.132 20 0 CGADLP F[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCCC1(F)F ZINC001140801925 804520575 /nfs/dbraw/zinc/52/05/75/804520575.db2.gz KZDVWQYFNCVSFT-ZDUSSCGKSA-N 2 2 283.297 3.132 20 0 CGADLP c1ccc(CC[N@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C2)cc1 ZINC001246838437 804546905 /nfs/dbraw/zinc/54/69/05/804546905.db2.gz HOABCVSAMLNXSL-LJQANCHMSA-N 2 2 280.415 3.093 20 0 CGADLP c1ccc(CC[N@@H+](Cc2ccccc2)[C@@H]2CC[NH2+]C2)cc1 ZINC001246838437 804546909 /nfs/dbraw/zinc/54/69/09/804546909.db2.gz HOABCVSAMLNXSL-LJQANCHMSA-N 2 2 280.415 3.093 20 0 CGADLP C[C@H]1C[C@@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874007 804573586 /nfs/dbraw/zinc/57/35/86/804573586.db2.gz HYUVEBVENKWBAL-AAEUAGOBSA-N 2 2 298.352 3.204 20 0 CGADLP C[C@H]1C[C@@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC[NH2+]1 ZINC001246874007 804573588 /nfs/dbraw/zinc/57/35/88/804573588.db2.gz HYUVEBVENKWBAL-AAEUAGOBSA-N 2 2 298.352 3.204 20 0 CGADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246906517 804591803 /nfs/dbraw/zinc/59/18/03/804591803.db2.gz FETZUSGUSVDJBN-QGZVFWFLSA-N 2 2 260.425 3.267 20 0 CGADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCCC[NH2+]C1 ZINC001246906517 804591808 /nfs/dbraw/zinc/59/18/08/804591808.db2.gz FETZUSGUSVDJBN-QGZVFWFLSA-N 2 2 260.425 3.267 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[NH2+]C2)cc1C ZINC001246908634 804593129 /nfs/dbraw/zinc/59/31/29/804593129.db2.gz LSXXCCVXLNNQPA-SJORKVTESA-N 2 2 258.409 3.192 20 0 CGADLP Cc1ccc([C@@H]2CCCC[N@H+]2[C@@H]2CC[NH2+]C2)cc1C ZINC001246908634 804593135 /nfs/dbraw/zinc/59/31/35/804593135.db2.gz LSXXCCVXLNNQPA-SJORKVTESA-N 2 2 258.409 3.192 20 0 CGADLP CC[C@H](C)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246940092 804610143 /nfs/dbraw/zinc/61/01/43/804610143.db2.gz XBZPNZWCNGRTCW-BBRMVZONSA-N 2 2 264.388 3.178 20 0 CGADLP CC[C@H](C)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246940092 804610146 /nfs/dbraw/zinc/61/01/46/804610146.db2.gz XBZPNZWCNGRTCW-BBRMVZONSA-N 2 2 264.388 3.178 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001246940544 804611035 /nfs/dbraw/zinc/61/10/35/804611035.db2.gz WITBSRZFCKCUDR-TYNCELHUSA-N 2 2 266.816 3.083 20 0 CGADLP C[C@H](Cc1ccccc1Cl)[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001246940544 804611039 /nfs/dbraw/zinc/61/10/39/804611039.db2.gz WITBSRZFCKCUDR-TYNCELHUSA-N 2 2 266.816 3.083 20 0 CGADLP CC[C@H](CC(C)C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965465 804619208 /nfs/dbraw/zinc/61/92/08/804619208.db2.gz VKQODMSVVQEPGS-MSOLQXFVSA-N 2 2 289.467 3.460 20 0 CGADLP CC[C@H](CC(C)C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC001246965465 804619209 /nfs/dbraw/zinc/61/92/09/804619209.db2.gz VKQODMSVVQEPGS-MSOLQXFVSA-N 2 2 289.467 3.460 20 0 CGADLP C[C@H]1CCC[C@@H]([N@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963478 804619588 /nfs/dbraw/zinc/61/95/88/804619588.db2.gz KSQZBWONPAGHTC-CGTJXYLNSA-N 2 2 287.451 3.214 20 0 CGADLP C[C@H]1CCC[C@@H]([N@@H+](Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246963478 804619591 /nfs/dbraw/zinc/61/95/91/804619591.db2.gz KSQZBWONPAGHTC-CGTJXYLNSA-N 2 2 287.451 3.214 20 0 CGADLP CC1CC([N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001141238574 804621996 /nfs/dbraw/zinc/62/19/96/804621996.db2.gz MVGDPLGAOQKATQ-UHFFFAOYSA-N 2 2 255.365 3.103 20 0 CGADLP CC1CC([N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001141238574 804622004 /nfs/dbraw/zinc/62/20/04/804622004.db2.gz MVGDPLGAOQKATQ-UHFFFAOYSA-N 2 2 255.365 3.103 20 0 CGADLP Cc1ncccc1C[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243722 804622349 /nfs/dbraw/zinc/62/23/49/804622349.db2.gz UHMDBDFRWIHFQG-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP Cc1ncccc1C[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243722 804622355 /nfs/dbraw/zinc/62/23/55/804622355.db2.gz UHMDBDFRWIHFQG-UHFFFAOYSA-N 2 2 292.386 3.208 20 0 CGADLP CCCCCC[C@H](CCC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246988318 804630851 /nfs/dbraw/zinc/63/08/51/804630851.db2.gz PAXGVWRCZDSHFE-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP CCCCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246988318 804630854 /nfs/dbraw/zinc/63/08/54/804630854.db2.gz PAXGVWRCZDSHFE-DLBZAZTESA-N 2 2 282.472 3.190 20 0 CGADLP COc1cc(C)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001143161051 804812631 /nfs/dbraw/zinc/81/26/31/804812631.db2.gz XVFWHOOISMLIJJ-UHFFFAOYSA-N 2 2 285.391 3.037 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(F)c(C)c1 ZINC001143383371 804846696 /nfs/dbraw/zinc/84/66/96/804846696.db2.gz AGFSCYIOMAVWTR-UHFFFAOYSA-N 2 2 275.371 3.161 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(F)c(C)c1 ZINC001143383371 804846702 /nfs/dbraw/zinc/84/67/02/804846702.db2.gz AGFSCYIOMAVWTR-UHFFFAOYSA-N 2 2 275.371 3.161 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(O)c2C)C1 ZINC001144120775 804939795 /nfs/dbraw/zinc/93/97/95/804939795.db2.gz TUKDXCYKOXKACY-INIZCTEOSA-N 2 2 298.386 3.057 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(O)c2C)C1 ZINC001144120775 804939796 /nfs/dbraw/zinc/93/97/96/804939796.db2.gz TUKDXCYKOXKACY-INIZCTEOSA-N 2 2 298.386 3.057 20 0 CGADLP CC[N@H+](Cc1cc(C)c(F)cc1OC)C1CC[NH+](C)CC1 ZINC001250102076 805417958 /nfs/dbraw/zinc/41/79/58/805417958.db2.gz DHKOVSKUAMROEJ-UHFFFAOYSA-N 2 2 294.414 3.059 20 0 CGADLP CC[N@@H+](Cc1cc(C)c(F)cc1OC)C1CC[NH+](C)CC1 ZINC001250102076 805417966 /nfs/dbraw/zinc/41/79/66/805417966.db2.gz DHKOVSKUAMROEJ-UHFFFAOYSA-N 2 2 294.414 3.059 20 0 CGADLP CCOc1cc(C)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001250180849 805467553 /nfs/dbraw/zinc/46/75/53/805467553.db2.gz UGHNUOLOPOCZMW-UHFFFAOYSA-N 2 2 299.418 3.427 20 0 CGADLP Cc1cc(N2CCCCC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC001165339008 806998345 /nfs/dbraw/zinc/99/83/45/806998345.db2.gz NUNLGDMSCOMLBX-UHFFFAOYSA-N 2 2 288.439 3.021 20 0 CGADLP Cc1c[nH+]c(-n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)cc1N ZINC001166654768 807075577 /nfs/dbraw/zinc/07/55/77/807075577.db2.gz MRDZFQHOONOIPO-HNNXBMFYSA-N 2 2 292.386 3.341 20 0 CGADLP CCC[C@@H](CC)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257272366 807085190 /nfs/dbraw/zinc/08/51/90/807085190.db2.gz WTVBIZFYDMFNND-HUUCEWRRSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@@H](CC)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257272366 807085200 /nfs/dbraw/zinc/08/52/00/807085200.db2.gz WTVBIZFYDMFNND-HUUCEWRRSA-N 2 2 262.397 3.422 20 0 CGADLP CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001257309387 807100495 /nfs/dbraw/zinc/10/04/95/807100495.db2.gz KHXBUHIEEGRAGM-WMZOPIPTSA-N 2 2 274.452 3.472 20 0 CGADLP CC(C)OC1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001257873268 807232705 /nfs/dbraw/zinc/23/27/05/807232705.db2.gz RARQRSLBDXDLQR-AOCRQIFASA-N 2 2 296.499 3.433 20 0 CGADLP c1ccc(CC2CC[NH+](CC[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167892424 807268356 /nfs/dbraw/zinc/26/83/56/807268356.db2.gz WTSVEASZUNLADW-ACDBMABISA-N 2 2 298.474 3.329 20 0 CGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167960284 807286939 /nfs/dbraw/zinc/28/69/39/807286939.db2.gz XIDNGAPIKWFMPG-MQVJKMGUSA-N 2 2 274.408 3.083 20 0 CGADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167960284 807286943 /nfs/dbraw/zinc/28/69/43/807286943.db2.gz XIDNGAPIKWFMPG-MQVJKMGUSA-N 2 2 274.408 3.083 20 0 CGADLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@H]1CCCC(C)(C)C1 ZINC001258288757 807398167 /nfs/dbraw/zinc/39/81/67/807398167.db2.gz IELOKDQQFIHUKV-KRWDZBQOSA-N 3 2 297.531 3.161 20 0 CGADLP c1coc(C[N@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168389425 807400733 /nfs/dbraw/zinc/40/07/33/807400733.db2.gz PQEJFBSDWNTNFI-UHFFFAOYSA-N 2 2 274.408 3.118 20 0 CGADLP c1coc(C[N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168389425 807400736 /nfs/dbraw/zinc/40/07/36/807400736.db2.gz PQEJFBSDWNTNFI-UHFFFAOYSA-N 2 2 274.408 3.118 20 0 CGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC001168470374 807428090 /nfs/dbraw/zinc/42/80/90/807428090.db2.gz XVHBCMIJTXDGJC-PBHICJAKSA-N 2 2 278.415 3.077 20 0 CGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC001168470374 807428092 /nfs/dbraw/zinc/42/80/92/807428092.db2.gz XVHBCMIJTXDGJC-PBHICJAKSA-N 2 2 278.415 3.077 20 0 CGADLP Cc1cc2cc[nH]c2c(N[C@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001168593731 807453309 /nfs/dbraw/zinc/45/33/09/807453309.db2.gz UEZBNUYYEWEYTO-KBPBESRZSA-N 2 2 272.396 3.156 20 0 CGADLP CCCCC[C@@H](CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258446154 807454370 /nfs/dbraw/zinc/45/43/70/807454370.db2.gz OGOIJXVCSWNHGN-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@@H](CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001258446154 807454374 /nfs/dbraw/zinc/45/43/74/807454374.db2.gz OGOIJXVCSWNHGN-MRXNPFEDSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@H](CC)[N@@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258448775 807456722 /nfs/dbraw/zinc/45/67/22/807456722.db2.gz YECGDQNWGGJDCM-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP CCCCC[C@H](CC)[N@H+]1CCO[C@@H](C[NH+](CC)CC)C1 ZINC001258448775 807456724 /nfs/dbraw/zinc/45/67/24/807456724.db2.gz YECGDQNWGGJDCM-IRXDYDNUSA-N 2 2 284.488 3.388 20 0 CGADLP CCCC1CCC([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258533640 807488883 /nfs/dbraw/zinc/48/88/83/807488883.db2.gz DHSLYJAMOHGJQH-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001258533640 807488886 /nfs/dbraw/zinc/48/88/86/807488886.db2.gz DHSLYJAMOHGJQH-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001258533640 807488888 /nfs/dbraw/zinc/48/88/88/807488888.db2.gz DHSLYJAMOHGJQH-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP CCCC1CCC([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001258533640 807488891 /nfs/dbraw/zinc/48/88/91/807488891.db2.gz DHSLYJAMOHGJQH-ODZFXCKXSA-N 2 2 264.457 3.371 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001258650663 807522110 /nfs/dbraw/zinc/52/21/10/807522110.db2.gz DMTMCASONOMWGS-ROUUACIJSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001258650663 807522112 /nfs/dbraw/zinc/52/21/12/807522112.db2.gz DMTMCASONOMWGS-ROUUACIJSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001258650662 807522254 /nfs/dbraw/zinc/52/22/54/807522254.db2.gz DMTMCASONOMWGS-QZTJIDSGSA-N 2 2 274.452 3.470 20 0 CGADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001258650662 807522256 /nfs/dbraw/zinc/52/22/56/807522256.db2.gz DMTMCASONOMWGS-QZTJIDSGSA-N 2 2 274.452 3.470 20 0 CGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001169099489 807575946 /nfs/dbraw/zinc/57/59/46/807575946.db2.gz SZEHZLBLBCAHOS-XYYAHUGASA-N 2 2 282.790 3.194 20 0 CGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(F)c1Cl)C2 ZINC001169099489 807575953 /nfs/dbraw/zinc/57/59/53/807575953.db2.gz SZEHZLBLBCAHOS-XYYAHUGASA-N 2 2 282.790 3.194 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001258785822 807611686 /nfs/dbraw/zinc/61/16/86/807611686.db2.gz XLDFMGUMSHCCKG-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001258785822 807611691 /nfs/dbraw/zinc/61/16/91/807611691.db2.gz XLDFMGUMSHCCKG-XHSDSOJGSA-N 2 2 282.472 3.044 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258785742 807612123 /nfs/dbraw/zinc/61/21/23/807612123.db2.gz WUAGNXKBZCRVDA-KBMXLJTQSA-N 2 2 252.446 3.275 20 0 CGADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258785742 807612125 /nfs/dbraw/zinc/61/21/25/807612125.db2.gz WUAGNXKBZCRVDA-KBMXLJTQSA-N 2 2 252.446 3.275 20 0 CGADLP CC[NH+]1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001169241208 807612255 /nfs/dbraw/zinc/61/22/55/807612255.db2.gz JVWHSLABHYXMIK-HNNXBMFYSA-N 2 2 293.842 3.260 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001258813659 807631219 /nfs/dbraw/zinc/63/12/19/807631219.db2.gz LEFCAIJCDYEKQR-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001258813659 807631225 /nfs/dbraw/zinc/63/12/25/807631225.db2.gz LEFCAIJCDYEKQR-QLFBSQMISA-N 2 2 250.430 3.172 20 0 CGADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258836421 807651351 /nfs/dbraw/zinc/65/13/51/807651351.db2.gz WWBXVGPSCLAPSK-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258836421 807651354 /nfs/dbraw/zinc/65/13/54/807651354.db2.gz WWBXVGPSCLAPSK-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258836421 807651356 /nfs/dbraw/zinc/65/13/56/807651356.db2.gz WWBXVGPSCLAPSK-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP CC(C)CC(CC(C)C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258836421 807651358 /nfs/dbraw/zinc/65/13/58/807651358.db2.gz WWBXVGPSCLAPSK-NVXWUHKLSA-N 2 2 266.473 3.473 20 0 CGADLP C[NH+](C)CCC(C)(C)Nc1cc(-c2ccncc2)cc[nH+]1 ZINC001169711879 807694888 /nfs/dbraw/zinc/69/48/88/807694888.db2.gz RUKURDYREHDHQX-UHFFFAOYSA-N 2 2 284.407 3.286 20 0 CGADLP COc1ccc2cc(NC(C)(C)CC[NH+](C)C)[nH+]cc2c1 ZINC001169715489 807696667 /nfs/dbraw/zinc/69/66/67/807696667.db2.gz CRGYXEPJTILDCY-UHFFFAOYSA-N 2 2 287.407 3.386 20 0 CGADLP CC(C)[NH+](CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(C)C ZINC001169967328 807731578 /nfs/dbraw/zinc/73/15/78/807731578.db2.gz JCRPMMLQKKQPBW-UHFFFAOYSA-N 2 2 299.503 3.106 20 0 CGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC001261423241 807742491 /nfs/dbraw/zinc/74/24/91/807742491.db2.gz RSOQOVOUIWQKSF-PKFCDNJMSA-N 2 2 270.779 3.270 20 0 CGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001170087990 807752567 /nfs/dbraw/zinc/75/25/67/807752567.db2.gz NJHMXOMKRNIFDP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001170087990 807752571 /nfs/dbraw/zinc/75/25/71/807752571.db2.gz NJHMXOMKRNIFDP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001170087990 807752573 /nfs/dbraw/zinc/75/25/73/807752573.db2.gz NJHMXOMKRNIFDP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001170087990 807752576 /nfs/dbraw/zinc/75/25/76/807752576.db2.gz NJHMXOMKRNIFDP-ARFHVFGLSA-N 2 2 252.446 3.227 20 0 CGADLP C[C@@H]1CC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001170120521 807766309 /nfs/dbraw/zinc/76/63/09/807766309.db2.gz IIBVSGDSDHJEDA-DOMZBBRYSA-N 2 2 255.365 3.370 20 0 CGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724098 807886117 /nfs/dbraw/zinc/88/61/17/807886117.db2.gz CHYMYSHGQBXICO-YHUYYLMFSA-N 2 2 264.457 3.131 20 0 CGADLP Cc1cc(Nc2cc[nH+]cc2)c[nH+]c1N1CCCC[C@H]1C ZINC001262671514 807893154 /nfs/dbraw/zinc/89/31/54/807893154.db2.gz HTFMQILTVAZJGO-CQSZACIVSA-N 2 2 282.391 3.329 20 0 CGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898936 807928258 /nfs/dbraw/zinc/92/82/58/807928258.db2.gz ZMKFMJKZHOWMRK-GJZGRUSLSA-N 2 2 292.854 3.270 20 0 CGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170898936 807928263 /nfs/dbraw/zinc/92/82/63/807928263.db2.gz ZMKFMJKZHOWMRK-GJZGRUSLSA-N 2 2 292.854 3.270 20 0 CGADLP Cc1[nH+]cn([C@@H]2CCc3c(Cl)cccc3C2)c1CC[NH3+] ZINC001171018015 807961743 /nfs/dbraw/zinc/96/17/43/807961743.db2.gz PFRSSMDUCRHEBN-CYBMUJFWSA-N 2 2 289.810 3.076 20 0 CGADLP Cc1cc[nH+]c(C)c1-n1c(CC[NH3+])cc2ccccc21 ZINC001171305808 808024280 /nfs/dbraw/zinc/02/42/80/808024280.db2.gz ZPGUUSWWXMKWMI-UHFFFAOYSA-N 2 2 265.360 3.144 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001171664584 808116810 /nfs/dbraw/zinc/11/68/10/808116810.db2.gz CWGHQMCKIVSIDA-INIZCTEOSA-N 2 2 274.452 3.342 20 0 CGADLP Cc1ccc(CC[C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001171664584 808116815 /nfs/dbraw/zinc/11/68/15/808116815.db2.gz CWGHQMCKIVSIDA-INIZCTEOSA-N 2 2 274.452 3.342 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C[C@@H]1C ZINC001172370656 808266193 /nfs/dbraw/zinc/26/61/93/808266193.db2.gz QHILXERNEDZTJF-BARDWOONSA-N 2 2 250.430 3.028 20 0 CGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C[C@@H]1C ZINC001172370656 808266197 /nfs/dbraw/zinc/26/61/97/808266197.db2.gz QHILXERNEDZTJF-BARDWOONSA-N 2 2 250.430 3.028 20 0 CGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551349 808380019 /nfs/dbraw/zinc/38/00/19/808380019.db2.gz OGZFVUOZRMSWRG-KZNAEPCWSA-N 2 2 272.436 3.395 20 0 CGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172551349 808380028 /nfs/dbraw/zinc/38/00/28/808380028.db2.gz OGZFVUOZRMSWRG-KZNAEPCWSA-N 2 2 272.436 3.395 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172860323 808464206 /nfs/dbraw/zinc/46/42/06/808464206.db2.gz CHMRHBNEJHNIRL-SWLSCSKDSA-N 2 2 298.833 3.484 20 0 CGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172860323 808464209 /nfs/dbraw/zinc/46/42/09/808464209.db2.gz CHMRHBNEJHNIRL-SWLSCSKDSA-N 2 2 298.833 3.484 20 0 CGADLP Cc1[nH]c2ccc(Nc3cccc4[nH+]ccn43)cc2[nH+]1 ZINC001213070310 815218095 /nfs/dbraw/zinc/21/80/95/815218095.db2.gz JWAKBVUCQMKULF-UHFFFAOYSA-N 2 2 263.304 3.263 20 0 CGADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001173265017 808569758 /nfs/dbraw/zinc/56/97/58/808569758.db2.gz YAHMRNJBAILJEY-ARFHVFGLSA-N 2 2 252.446 3.275 20 0 CGADLP c1csc(CC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1 ZINC001274991482 808896439 /nfs/dbraw/zinc/89/64/39/808896439.db2.gz WAMNEDNTUGYZFX-UHFFFAOYSA-N 2 2 290.476 3.241 20 0 CGADLP c1csc(CC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001274991482 808896444 /nfs/dbraw/zinc/89/64/44/808896444.db2.gz WAMNEDNTUGYZFX-UHFFFAOYSA-N 2 2 290.476 3.241 20 0 CGADLP Cc1cn2cc(Nc3ccc4[nH+]ccn4c3)ccc2[nH+]1 ZINC001174277694 808924062 /nfs/dbraw/zinc/92/40/62/808924062.db2.gz BPOYTQRRHSGZEI-UHFFFAOYSA-N 2 2 263.304 3.034 20 0 CGADLP Cc1cnccc1C[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276256052 808997068 /nfs/dbraw/zinc/99/70/68/808997068.db2.gz FIHLWDGLVAJXLB-UHFFFAOYSA-N 2 2 299.462 3.230 20 0 CGADLP Cc1cnccc1C[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276256052 808997070 /nfs/dbraw/zinc/99/70/70/808997070.db2.gz FIHLWDGLVAJXLB-UHFFFAOYSA-N 2 2 299.462 3.230 20 0 CGADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc(C4CC4)cs3)(C1)CCC2 ZINC001276952752 809049211 /nfs/dbraw/zinc/04/92/11/809049211.db2.gz XFCFQVMEVWZMJX-JKSUJKDBSA-N 2 2 291.464 3.175 20 0 CGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624820 809084488 /nfs/dbraw/zinc/08/44/88/809084488.db2.gz IRDJFWFJAZRVLN-IBGZPJMESA-N 2 2 299.462 3.267 20 0 CGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624820 809084496 /nfs/dbraw/zinc/08/44/96/809084496.db2.gz IRDJFWFJAZRVLN-IBGZPJMESA-N 2 2 299.462 3.267 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624820 809084497 /nfs/dbraw/zinc/08/44/97/809084497.db2.gz IRDJFWFJAZRVLN-IBGZPJMESA-N 2 2 299.462 3.267 20 0 CGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cncc(C4CC4)c3)C2)C1 ZINC001277624820 809084505 /nfs/dbraw/zinc/08/45/05/809084505.db2.gz IRDJFWFJAZRVLN-IBGZPJMESA-N 2 2 299.462 3.267 20 0 CGADLP CN(C)c1ccc(Nc2cc[nH+]c(C3CC3)c2)c[nH+]1 ZINC001175340719 809366817 /nfs/dbraw/zinc/36/68/17/809366817.db2.gz CRYWXGGEGGGBQI-UHFFFAOYSA-N 2 2 254.337 3.164 20 0 CGADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)[NH+](C)C)c(C)c1 ZINC001177737823 809817910 /nfs/dbraw/zinc/81/79/10/809817910.db2.gz URDOONDYOBEBKW-WAVCKPEOSA-N 2 2 260.425 3.165 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001182634969 810118417 /nfs/dbraw/zinc/11/84/17/810118417.db2.gz UQOSOLAUJJSPGN-OALUTQOASA-N 2 2 286.463 3.452 20 0 CGADLP Cc1cc(C)cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001182634969 810118419 /nfs/dbraw/zinc/11/84/19/810118419.db2.gz UQOSOLAUJJSPGN-OALUTQOASA-N 2 2 286.463 3.452 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182918011 810131018 /nfs/dbraw/zinc/13/10/18/810131018.db2.gz HHUDJPZJYLIEFC-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182918011 810131022 /nfs/dbraw/zinc/13/10/22/810131022.db2.gz HHUDJPZJYLIEFC-IKGGRYGDSA-N 2 2 264.457 3.418 20 0 CGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC001183045388 810135490 /nfs/dbraw/zinc/13/54/90/810135490.db2.gz JAFYYHSJKFIFIH-QRVBRYPASA-N 2 2 286.463 3.472 20 0 CGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC001183045388 810135494 /nfs/dbraw/zinc/13/54/94/810135494.db2.gz JAFYYHSJKFIFIH-QRVBRYPASA-N 2 2 286.463 3.472 20 0 CGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccn1 ZINC001183498539 810150668 /nfs/dbraw/zinc/15/06/68/810150668.db2.gz GKEYFKDLIBUKRW-MAUKXSAKSA-N 2 2 292.386 3.370 20 0 CGADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccns1 ZINC001203307122 812306101 /nfs/dbraw/zinc/30/61/01/812306101.db2.gz KBORRZQVOWLLAA-JTQLQIEISA-N 2 2 290.417 3.241 20 0 CGADLP CNc1ccc(Nc2c[nH+]ccc2N2CCCCC2)c[nH+]1 ZINC001203452916 812362833 /nfs/dbraw/zinc/36/28/33/812362833.db2.gz STLUDELKBIABKG-UHFFFAOYSA-N 2 2 283.379 3.252 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(C)c1C ZINC001203723522 812440779 /nfs/dbraw/zinc/44/07/79/812440779.db2.gz KONPNBZFUMOPBI-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(C)c1C ZINC001203723522 812440785 /nfs/dbraw/zinc/44/07/85/812440785.db2.gz KONPNBZFUMOPBI-UHFFFAOYSA-N 2 2 287.407 3.031 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)cc(C)cc1C ZINC001203741468 812447508 /nfs/dbraw/zinc/44/75/08/812447508.db2.gz SIBTXBIBUYHXCG-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)cc(C)cc1C ZINC001203741468 812447513 /nfs/dbraw/zinc/44/75/13/812447513.db2.gz SIBTXBIBUYHXCG-UHFFFAOYSA-N 2 2 271.408 3.330 20 0 CGADLP CC[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204421868 812634498 /nfs/dbraw/zinc/63/44/98/812634498.db2.gz SBVPFIWWXSQXPF-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP CC[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204421868 812634499 /nfs/dbraw/zinc/63/44/99/812634499.db2.gz SBVPFIWWXSQXPF-UHFFFAOYSA-N 2 2 298.377 3.204 20 0 CGADLP Cc1cn2cc(-c3ccc(C[NH+](C)C)cc3)ccc2[nH+]1 ZINC001204639165 812698017 /nfs/dbraw/zinc/69/80/17/812698017.db2.gz ZWIQIEDXPSJNIQ-UHFFFAOYSA-N 2 2 265.360 3.371 20 0 CGADLP CC(C)c1cc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)ccc1Cl ZINC001204756892 812727930 /nfs/dbraw/zinc/72/79/30/812727930.db2.gz SMZKBOULVUVSHJ-CQSZACIVSA-N 2 2 296.842 3.013 20 0 CGADLP CC(C)c1cc(C[N@H+]2CCO[C@H](CC[NH3+])C2)ccc1Cl ZINC001204756892 812727934 /nfs/dbraw/zinc/72/79/34/812727934.db2.gz SMZKBOULVUVSHJ-CQSZACIVSA-N 2 2 296.842 3.013 20 0 CGADLP CCCCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204932229 812781770 /nfs/dbraw/zinc/78/17/70/812781770.db2.gz IKFMRLHFDIXRCG-QGZVFWFLSA-N 2 2 260.425 3.342 20 0 CGADLP CCCCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204932229 812781775 /nfs/dbraw/zinc/78/17/75/812781775.db2.gz IKFMRLHFDIXRCG-QGZVFWFLSA-N 2 2 260.425 3.342 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC001204931904 812781900 /nfs/dbraw/zinc/78/19/00/812781900.db2.gz GHLVKNZLVXEZOE-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP Cc1ccc(OC(C)C)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC001204931904 812781905 /nfs/dbraw/zinc/78/19/05/812781905.db2.gz GHLVKNZLVXEZOE-INIZCTEOSA-N 2 2 276.424 3.095 20 0 CGADLP CCc1cccc2c(C[N@@H+]3CCC[C@](C)([NH3+])C3)c[nH]c21 ZINC001204939840 812787602 /nfs/dbraw/zinc/78/76/02/812787602.db2.gz UWDJNEDNWFQEOX-KRWDZBQOSA-N 2 2 271.408 3.044 20 0 CGADLP CCc1cccc2c(C[N@H+]3CCC[C@](C)([NH3+])C3)c[nH]c21 ZINC001204939840 812787607 /nfs/dbraw/zinc/78/76/07/812787607.db2.gz UWDJNEDNWFQEOX-KRWDZBQOSA-N 2 2 271.408 3.044 20 0 CGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001204939833 812788508 /nfs/dbraw/zinc/78/85/08/812788508.db2.gz UTPQHWAOFIOZNI-OAHLLOKOSA-N 2 2 277.799 3.135 20 0 CGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001204939833 812788511 /nfs/dbraw/zinc/78/85/11/812788511.db2.gz UTPQHWAOFIOZNI-OAHLLOKOSA-N 2 2 277.799 3.135 20 0 CGADLP CCc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1Cl ZINC001205018780 812828342 /nfs/dbraw/zinc/82/83/42/812828342.db2.gz ZCUBCQSTGDFXKF-AWEZNQCLSA-N 2 2 280.843 3.334 20 0 CGADLP CCc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1Cl ZINC001205018780 812828353 /nfs/dbraw/zinc/82/83/53/812828353.db2.gz ZCUBCQSTGDFXKF-AWEZNQCLSA-N 2 2 280.843 3.334 20 0 CGADLP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205264020 812921949 /nfs/dbraw/zinc/92/19/49/812921949.db2.gz GUSNJYMVSJHKHT-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1ccc(Cl)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205264020 812921955 /nfs/dbraw/zinc/92/19/55/812921955.db2.gz GUSNJYMVSJHKHT-OAHLLOKOSA-N 2 2 284.806 3.491 20 0 CGADLP Cc1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205316464 812949488 /nfs/dbraw/zinc/94/94/88/812949488.db2.gz JEZBCJAWBUWHNH-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC001205316464 812949493 /nfs/dbraw/zinc/94/94/93/812949493.db2.gz JEZBCJAWBUWHNH-MFKMUULPSA-N 2 2 284.806 3.204 20 0 CGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC001205651049 813041729 /nfs/dbraw/zinc/04/17/29/813041729.db2.gz ZFXMFXHERLKNLO-INIZCTEOSA-N 2 2 278.415 3.078 20 0 CGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC001205651049 813041735 /nfs/dbraw/zinc/04/17/35/813041735.db2.gz ZFXMFXHERLKNLO-INIZCTEOSA-N 2 2 278.415 3.078 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205807203 813087186 /nfs/dbraw/zinc/08/71/86/813087186.db2.gz YOXOUNKVGRXDFJ-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205807203 813087195 /nfs/dbraw/zinc/08/71/95/813087195.db2.gz YOXOUNKVGRXDFJ-HOCLYGCPSA-N 2 2 276.424 3.033 20 0 CGADLP CCCc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205816317 813095557 /nfs/dbraw/zinc/09/55/57/813095557.db2.gz LTUCXOSKGRPNDI-CHWSQXEVSA-N 2 2 266.454 3.260 20 0 CGADLP CCCc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205816317 813095564 /nfs/dbraw/zinc/09/55/64/813095564.db2.gz LTUCXOSKGRPNDI-CHWSQXEVSA-N 2 2 266.454 3.260 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ncccc2C)CC1 ZINC001205820988 813097017 /nfs/dbraw/zinc/09/70/17/813097017.db2.gz AJQDWJFYNBGYKH-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ncccc2C)CC1 ZINC001205820988 813097027 /nfs/dbraw/zinc/09/70/27/813097027.db2.gz AJQDWJFYNBGYKH-UHFFFAOYSA-N 2 2 275.440 3.086 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830503 813102074 /nfs/dbraw/zinc/10/20/74/813102074.db2.gz SYVFEAUBGGPEHE-ZBFHGGJFSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001205830503 813102075 /nfs/dbraw/zinc/10/20/75/813102075.db2.gz SYVFEAUBGGPEHE-ZBFHGGJFSA-N 2 2 290.451 3.423 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC001205872217 813116954 /nfs/dbraw/zinc/11/69/54/813116954.db2.gz IBVFEIOKBCQHIG-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC001205872217 813116960 /nfs/dbraw/zinc/11/69/60/813116960.db2.gz IBVFEIOKBCQHIG-CJNGLKHVSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001205903486 813126442 /nfs/dbraw/zinc/12/64/42/813126442.db2.gz PORAKBCFLQKSMH-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cccc(F)c1Cl ZINC001205903486 813126446 /nfs/dbraw/zinc/12/64/46/813126446.db2.gz PORAKBCFLQKSMH-WDEREUQCSA-N 2 2 270.779 3.038 20 0 CGADLP COc1cc2ccccc2cc1C[N@@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205938652 813142134 /nfs/dbraw/zinc/14/21/34/813142134.db2.gz JCMJDJRXDWPGQW-QGZVFWFLSA-N 2 2 284.403 3.162 20 0 CGADLP COc1cc2ccccc2cc1C[N@H+]1CCCC[C@@H]([NH3+])C1 ZINC001205938652 813142139 /nfs/dbraw/zinc/14/21/39/813142139.db2.gz JCMJDJRXDWPGQW-QGZVFWFLSA-N 2 2 284.403 3.162 20 0 CGADLP C[C@@H]1CC[N@H+](Cc2cccc3sccc32)C[C@H]1[NH3+] ZINC001206043402 813178288 /nfs/dbraw/zinc/17/82/88/813178288.db2.gz CLUAEAJTOCVRKC-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP C[C@@H]1CC[N@@H+](Cc2cccc3sccc32)C[C@H]1[NH3+] ZINC001206043402 813178293 /nfs/dbraw/zinc/17/82/93/813178293.db2.gz CLUAEAJTOCVRKC-BXUZGUMPSA-N 2 2 260.406 3.070 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2coc3ccccc23)C1 ZINC001206351254 813301026 /nfs/dbraw/zinc/30/10/26/813301026.db2.gz AJFDTSBMKHWTNF-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2coc3ccccc23)C1 ZINC001206351254 813301033 /nfs/dbraw/zinc/30/10/33/813301033.db2.gz AJFDTSBMKHWTNF-MRXNPFEDSA-N 2 2 276.355 3.086 20 0 CGADLP C1C([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC12CCCC2 ZINC001206477621 813330330 /nfs/dbraw/zinc/33/03/30/813330330.db2.gz PZRNXQXPESEHFZ-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C1C([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC12CCCC2 ZINC001206477621 813330337 /nfs/dbraw/zinc/33/03/37/813330337.db2.gz PZRNXQXPESEHFZ-CVEARBPZSA-N 2 2 262.441 3.316 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001206550138 813349405 /nfs/dbraw/zinc/34/94/05/813349405.db2.gz WEXYLUXFZUMFNN-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001206550138 813349412 /nfs/dbraw/zinc/34/94/12/813349412.db2.gz WEXYLUXFZUMFNN-OAHLLOKOSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001206555394 813351524 /nfs/dbraw/zinc/35/15/24/813351524.db2.gz KPDKHWXJWXQMDW-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001206555394 813351529 /nfs/dbraw/zinc/35/15/29/813351529.db2.gz KPDKHWXJWXQMDW-HNNXBMFYSA-N 2 2 284.806 3.430 20 0 CGADLP CC[N@@H+]1CCC[C@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC001206588886 813365967 /nfs/dbraw/zinc/36/59/67/813365967.db2.gz CZUOXBLJQZHYBM-AWEZNQCLSA-N 2 2 259.397 3.164 20 0 CGADLP CC[N@H+]1CCC[C@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC001206588886 813365972 /nfs/dbraw/zinc/36/59/72/813365972.db2.gz CZUOXBLJQZHYBM-AWEZNQCLSA-N 2 2 259.397 3.164 20 0 CGADLP CCCSC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001206660361 813392214 /nfs/dbraw/zinc/39/22/14/813392214.db2.gz BHOZJBDXDALCFW-LSDHHAIUSA-N 2 2 272.502 3.228 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+](Cc2ccccc2)C1 ZINC001206689356 813399594 /nfs/dbraw/zinc/39/95/94/813399594.db2.gz WRDBPLFBZMPLMD-VQIMIIECSA-N 2 2 298.430 3.322 20 0 CGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+](Cc2ccccc2)C1 ZINC001206689356 813399600 /nfs/dbraw/zinc/39/96/00/813399600.db2.gz WRDBPLFBZMPLMD-VQIMIIECSA-N 2 2 298.430 3.322 20 0 CGADLP Cc1c(Cl)ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206807238 813441837 /nfs/dbraw/zinc/44/18/37/813441837.db2.gz HYXZZWCZHPWRRP-JQWIXIFHSA-N 2 2 284.806 3.347 20 0 CGADLP Cc1c(Cl)ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206807238 813441840 /nfs/dbraw/zinc/44/18/40/813441840.db2.gz HYXZZWCZHPWRRP-JQWIXIFHSA-N 2 2 284.806 3.347 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccccc2)on1 ZINC001206848146 813451669 /nfs/dbraw/zinc/45/16/69/813451669.db2.gz QYQWOFOVYZICDH-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccccc2)on1 ZINC001206848146 813451671 /nfs/dbraw/zinc/45/16/71/813451671.db2.gz QYQWOFOVYZICDH-UHFFFAOYSA-N 2 2 296.374 3.060 20 0 CGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ncccc1F ZINC001207034435 813469441 /nfs/dbraw/zinc/46/94/41/813469441.db2.gz QNRNTWRNJUBZAI-GJZGRUSLSA-N 2 2 291.414 3.060 20 0 CGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ncccc1F ZINC001207034435 813469445 /nfs/dbraw/zinc/46/94/45/813469445.db2.gz QNRNTWRNJUBZAI-GJZGRUSLSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ncccc1F ZINC001207034435 813469449 /nfs/dbraw/zinc/46/94/49/813469449.db2.gz QNRNTWRNJUBZAI-GJZGRUSLSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ncccc1F ZINC001207034435 813469452 /nfs/dbraw/zinc/46/94/52/813469452.db2.gz QNRNTWRNJUBZAI-GJZGRUSLSA-N 2 2 291.414 3.060 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001207057821 813474272 /nfs/dbraw/zinc/47/42/72/813474272.db2.gz LRECTRQTMRHFSP-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP C([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001207057821 813474276 /nfs/dbraw/zinc/47/42/76/813474276.db2.gz LRECTRQTMRHFSP-QSPRXWTASA-N 2 2 262.441 3.172 20 0 CGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(C(F)F)c3)C[C@@H]2C1 ZINC001207132627 813494802 /nfs/dbraw/zinc/49/48/02/813494802.db2.gz LNLIYLUICBNUGC-GJZGRUSLSA-N 2 2 280.362 3.008 20 0 CGADLP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207522242 813585023 /nfs/dbraw/zinc/58/50/23/813585023.db2.gz CBPJYPCCQMYWEN-RBUKOAKNSA-N 2 2 286.463 3.379 20 0 CGADLP CC(C)c1ccc(CC[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001207522242 813585029 /nfs/dbraw/zinc/58/50/29/813585029.db2.gz CBPJYPCCQMYWEN-RBUKOAKNSA-N 2 2 286.463 3.379 20 0 CGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597550 813606056 /nfs/dbraw/zinc/60/60/56/813606056.db2.gz KZPXYFUHCRTVGH-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597550 813606061 /nfs/dbraw/zinc/60/60/61/813606061.db2.gz KZPXYFUHCRTVGH-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597550 813606065 /nfs/dbraw/zinc/60/60/65/813606065.db2.gz KZPXYFUHCRTVGH-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@@H]21 ZINC001207597550 813606072 /nfs/dbraw/zinc/60/60/72/813606072.db2.gz KZPXYFUHCRTVGH-RDJZCZTQSA-N 2 2 292.854 3.299 20 0 CGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615074 813615033 /nfs/dbraw/zinc/61/50/33/813615033.db2.gz MZOCRGVFKJCIFJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615074 813615038 /nfs/dbraw/zinc/61/50/38/813615038.db2.gz MZOCRGVFKJCIFJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615074 813615042 /nfs/dbraw/zinc/61/50/42/813615042.db2.gz MZOCRGVFKJCIFJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]21 ZINC001207615074 813615045 /nfs/dbraw/zinc/61/50/45/813615045.db2.gz MZOCRGVFKJCIFJ-MSOLQXFVSA-N 2 2 272.436 3.035 20 0 CGADLP CC/C=C\CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001208136421 813703165 /nfs/dbraw/zinc/70/31/65/813703165.db2.gz WEUDWAUNGJVQRC-FEFURNDJSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001208136421 813703169 /nfs/dbraw/zinc/70/31/69/813703169.db2.gz WEUDWAUNGJVQRC-FEFURNDJSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001208136421 813703174 /nfs/dbraw/zinc/70/31/74/813703174.db2.gz WEUDWAUNGJVQRC-FEFURNDJSA-N 2 2 299.462 3.192 20 0 CGADLP CC/C=C\CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001208136421 813703180 /nfs/dbraw/zinc/70/31/80/813703180.db2.gz WEUDWAUNGJVQRC-FEFURNDJSA-N 2 2 299.462 3.192 20 0 CGADLP CS[C@H](C)CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208140286 813706386 /nfs/dbraw/zinc/70/63/86/813706386.db2.gz ZSBCLAJAWQSGDG-CYBMUJFWSA-N 2 2 280.437 3.066 20 0 CGADLP CC[N@@H+](Cc1cccc(F)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC001208615237 813777871 /nfs/dbraw/zinc/77/78/71/813777871.db2.gz HMJLORKTMBASPR-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[N@H+](Cc1cccc(F)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC001208615237 813777876 /nfs/dbraw/zinc/77/78/76/813777876.db2.gz HMJLORKTMBASPR-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C[C@@H]1CCC[N@H+](C)C1 ZINC001208615237 813777881 /nfs/dbraw/zinc/77/78/81/813777881.db2.gz HMJLORKTMBASPR-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP CC[NH+](Cc1cccc(F)c1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208615237 813777886 /nfs/dbraw/zinc/77/78/86/813777886.db2.gz HMJLORKTMBASPR-CYBMUJFWSA-N 2 2 282.378 3.129 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208902002 813892094 /nfs/dbraw/zinc/89/20/94/813892094.db2.gz PKWHJDZKYVXFLH-NEPJUHHUSA-N 2 2 288.313 3.042 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@@H](C)C(F)(F)F)C1 ZINC001208902002 813892104 /nfs/dbraw/zinc/89/21/04/813892104.db2.gz PKWHJDZKYVXFLH-NEPJUHHUSA-N 2 2 288.313 3.042 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(F)ccc12 ZINC001209696558 814114196 /nfs/dbraw/zinc/11/41/96/814114196.db2.gz XDNYFMQGVBHUAM-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(F)ccc12 ZINC001209696558 814114203 /nfs/dbraw/zinc/11/42/03/814114203.db2.gz XDNYFMQGVBHUAM-UHFFFAOYSA-N 2 2 286.354 3.026 20 0 CGADLP C[C@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[NH2+]1 ZINC001210476000 814478898 /nfs/dbraw/zinc/47/88/98/814478898.db2.gz QSJQDHNOELZUFX-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[NH2+]1 ZINC001210476000 814478902 /nfs/dbraw/zinc/47/89/02/814478902.db2.gz QSJQDHNOELZUFX-NSHDSACASA-N 2 2 277.799 3.005 20 0 CGADLP C[C@H]1CC[N@H+](Cc2ccc3nc(Cl)ccc3c2)CC[NH2+]1 ZINC001210496363 814490207 /nfs/dbraw/zinc/49/02/07/814490207.db2.gz GWKDNNOAADMTGE-LBPRGKRZSA-N 2 2 289.810 3.072 20 0 CGADLP C[C@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)CC[NH2+]1 ZINC001210496363 814490211 /nfs/dbraw/zinc/49/02/11/814490211.db2.gz GWKDNNOAADMTGE-LBPRGKRZSA-N 2 2 289.810 3.072 20 0 CGADLP Cc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc(C)c1OC(C)C ZINC001210518953 814505455 /nfs/dbraw/zinc/50/54/55/814505455.db2.gz KNVIEWLZHVBPOE-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP Cc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc(C)c1OC(C)C ZINC001210518953 814505461 /nfs/dbraw/zinc/50/54/61/814505461.db2.gz KNVIEWLZHVBPOE-INIZCTEOSA-N 2 2 290.451 3.274 20 0 CGADLP C[NH2+]CC1C[NH+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001210561795 814527876 /nfs/dbraw/zinc/52/78/76/814527876.db2.gz SOTWHOZXEPMYLK-UHFFFAOYSA-N 2 2 296.414 3.013 20 0 CGADLP S=c1[nH]cccc1[NH2+]C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210703644 814588256 /nfs/dbraw/zinc/58/82/56/814588256.db2.gz BKZVUIMAPDFFDW-ZDUSSCGKSA-N 2 2 275.421 3.314 20 0 CGADLP Oc1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Cl ZINC001242800704 823137119 /nfs/dbraw/zinc/13/71/19/823137119.db2.gz RQDBBQZIJNKTDT-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282064 816393363 /nfs/dbraw/zinc/39/33/63/816393363.db2.gz DXNSHIWODUBRAA-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282064 816393370 /nfs/dbraw/zinc/39/33/70/816393370.db2.gz DXNSHIWODUBRAA-GOSISDBHSA-N 2 2 266.388 3.168 20 0 CGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277825 816393468 /nfs/dbraw/zinc/39/34/68/816393468.db2.gz STQYWKKFTUZNAL-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Clc1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1 ZINC001222277825 816393477 /nfs/dbraw/zinc/39/34/77/816393477.db2.gz STQYWKKFTUZNAL-MRXNPFEDSA-N 2 2 278.827 3.101 20 0 CGADLP Cc1sc2ccccc2c1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222340523 816412733 /nfs/dbraw/zinc/41/27/33/816412733.db2.gz PPESXNYGFPNEOP-UHFFFAOYSA-N 2 2 286.444 3.395 20 0 CGADLP Cc1cccc2c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222344806 816413841 /nfs/dbraw/zinc/41/38/41/816413841.db2.gz CTMHQCUMNGZZBI-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cc1cccc2c(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)c[nH]c21 ZINC001222344806 816413845 /nfs/dbraw/zinc/41/38/45/816413845.db2.gz CTMHQCUMNGZZBI-SFHVURJKSA-N 2 2 283.419 3.194 20 0 CGADLP Cn1ccc2ccc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc21 ZINC001222389608 816428294 /nfs/dbraw/zinc/42/82/94/816428294.db2.gz CQHXWDNVZREFQV-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)cc21 ZINC001222389608 816428299 /nfs/dbraw/zinc/42/82/99/816428299.db2.gz CQHXWDNVZREFQV-LJQANCHMSA-N 2 2 297.446 3.286 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222471131 816452073 /nfs/dbraw/zinc/45/20/73/816452073.db2.gz LQVCIXSAJNAALA-SFHVURJKSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222471131 816452078 /nfs/dbraw/zinc/45/20/78/816452078.db2.gz LQVCIXSAJNAALA-SFHVURJKSA-N 2 2 272.436 3.213 20 0 CGADLP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC001222539322 816464117 /nfs/dbraw/zinc/46/41/17/816464117.db2.gz XBJAYTBPIHUDEZ-UHFFFAOYSA-N 2 2 297.226 3.318 20 0 CGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C(F)(F)F)c1 ZINC001222620320 816478881 /nfs/dbraw/zinc/47/88/81/816478881.db2.gz MYJKNYSZRFCDHM-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc(C(F)(F)F)c1 ZINC001222620320 816478882 /nfs/dbraw/zinc/47/88/82/816478882.db2.gz MYJKNYSZRFCDHM-DZGCQCFKSA-N 2 2 298.352 3.198 20 0 CGADLP C[NH2+]Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001242997843 823205181 /nfs/dbraw/zinc/20/51/81/823205181.db2.gz PGYLUANINXMKGV-UHFFFAOYSA-N 2 2 277.371 3.318 20 0 CGADLP CC[N@H+](C)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250448 818293041 /nfs/dbraw/zinc/29/30/41/818293041.db2.gz YIWLCZXXYPULLY-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP CC[N@@H+](C)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250448 818293050 /nfs/dbraw/zinc/29/30/50/818293050.db2.gz YIWLCZXXYPULLY-UHFFFAOYSA-N 2 2 283.419 3.151 20 0 CGADLP Clc1csc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232277390 818301947 /nfs/dbraw/zinc/30/19/47/818301947.db2.gz XKXZHKOJDIZGKW-UHFFFAOYSA-N 2 2 293.823 3.119 20 0 CGADLP C[NH+]1CCC([N@H+](Cc2cc(F)ccn2)C2CCCC2)CC1 ZINC001232497304 818372574 /nfs/dbraw/zinc/37/25/74/818372574.db2.gz HJQXTRBYOZEDMC-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP C[NH+]1CCC([N@@H+](Cc2cc(F)ccn2)C2CCCC2)CC1 ZINC001232497304 818372579 /nfs/dbraw/zinc/37/25/79/818372579.db2.gz HJQXTRBYOZEDMC-UHFFFAOYSA-N 2 2 291.414 3.060 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(C)c1O ZINC001243307894 823337953 /nfs/dbraw/zinc/33/79/53/823337953.db2.gz JGBIXIRKBCEHDJ-QGZVFWFLSA-N 2 2 296.414 3.209 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(C)c1O ZINC001243307894 823337956 /nfs/dbraw/zinc/33/79/56/823337956.db2.gz JGBIXIRKBCEHDJ-QGZVFWFLSA-N 2 2 296.414 3.209 20 0 CGADLP CNc1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232675986 818416922 /nfs/dbraw/zinc/41/69/22/818416922.db2.gz RETVLJLBOMCREE-UHFFFAOYSA-N 2 2 275.440 3.033 20 0 CGADLP CNc1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232675986 818416925 /nfs/dbraw/zinc/41/69/25/818416925.db2.gz RETVLJLBOMCREE-UHFFFAOYSA-N 2 2 275.440 3.033 20 0 CGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC001232987561 818494006 /nfs/dbraw/zinc/49/40/06/818494006.db2.gz ZWSDNMFNJVCOHN-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC001232987561 818494010 /nfs/dbraw/zinc/49/40/10/818494010.db2.gz ZWSDNMFNJVCOHN-UHFFFAOYSA-N 2 2 269.392 3.283 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnc(C)c(C)c2)C1 ZINC001233163336 818532962 /nfs/dbraw/zinc/53/29/62/818532962.db2.gz XNMSMCHBEBVPFF-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnc(C)c(C)c2)C1 ZINC001233163336 818532969 /nfs/dbraw/zinc/53/29/69/818532969.db2.gz XNMSMCHBEBVPFF-KRWDZBQOSA-N 2 2 297.402 3.055 20 0 CGADLP CC[NH+](CC)Cc1ccccc1-c1cc[nH+]c(N)c1 ZINC001243337813 823351497 /nfs/dbraw/zinc/35/14/97/823351497.db2.gz GRCBTWDBYIGPGN-UHFFFAOYSA-N 2 2 255.365 3.173 20 0 CGADLP CC(C)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC001234980107 818970192 /nfs/dbraw/zinc/97/01/92/818970192.db2.gz IDQLZWVWGBUNJN-OKILXGFUSA-N 2 2 278.827 3.115 20 0 CGADLP CC(C)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC001234980107 818970196 /nfs/dbraw/zinc/97/01/96/818970196.db2.gz IDQLZWVWGBUNJN-OKILXGFUSA-N 2 2 278.827 3.115 20 0 CGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001234981848 818970380 /nfs/dbraw/zinc/97/03/80/818970380.db2.gz PHRFESLEBUNNKW-OAHLLOKOSA-N 2 2 294.389 3.068 20 0 CGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC4CC3(C[NH3+])C4)cc2)o1 ZINC001235005240 818976102 /nfs/dbraw/zinc/97/61/02/818976102.db2.gz DOZPGKUIRVCGFE-UHFFFAOYSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1ccc(-c2ccc(C[N@H+]3CC4CC3(C[NH3+])C4)cc2)o1 ZINC001235005240 818976105 /nfs/dbraw/zinc/97/61/05/818976105.db2.gz DOZPGKUIRVCGFE-UHFFFAOYSA-N 2 2 282.387 3.178 20 0 CGADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]3)C2)c(C)c1C ZINC001235063998 818993816 /nfs/dbraw/zinc/99/38/16/818993816.db2.gz FSBCJPYPMLVJKQ-GOSISDBHSA-N 2 2 272.436 3.167 20 0 CGADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@]3(CC[NH2+]3)C2)c(C)c1C ZINC001235063998 818993824 /nfs/dbraw/zinc/99/38/24/818993824.db2.gz FSBCJPYPMLVJKQ-GOSISDBHSA-N 2 2 272.436 3.167 20 0 CGADLP CC/C=C\CCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072790 818994834 /nfs/dbraw/zinc/99/48/34/818994834.db2.gz LMTASGFYVLOZIP-JGPFYOFESA-N 2 2 250.430 3.339 20 0 CGADLP CC/C=C\CCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072790 818994842 /nfs/dbraw/zinc/99/48/42/818994842.db2.gz LMTASGFYVLOZIP-JGPFYOFESA-N 2 2 250.430 3.339 20 0 CGADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110900 819005854 /nfs/dbraw/zinc/00/58/54/819005854.db2.gz ODBPOHGGXBYUOC-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235110900 819005856 /nfs/dbraw/zinc/00/58/56/819005856.db2.gz ODBPOHGGXBYUOC-GOSISDBHSA-N 2 2 272.436 3.213 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001235164572 819019832 /nfs/dbraw/zinc/01/98/32/819019832.db2.gz AYIHQLJMPILQAO-KCJNXJCVSA-N 2 2 274.452 3.016 20 0 CGADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCC13CC4CC(CC(C4)C1)C3)C2 ZINC001235164572 819019839 /nfs/dbraw/zinc/01/98/39/819019839.db2.gz AYIHQLJMPILQAO-KCJNXJCVSA-N 2 2 274.452 3.016 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc(C)c1O ZINC001235168012 819021610 /nfs/dbraw/zinc/02/16/10/819021610.db2.gz QBSZKIIUHJLBGD-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc(C)c1O ZINC001235168012 819021616 /nfs/dbraw/zinc/02/16/16/819021616.db2.gz QBSZKIIUHJLBGD-SFHVURJKSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)cc1O ZINC001235166751 819021655 /nfs/dbraw/zinc/02/16/55/819021655.db2.gz BBLDOCASGQUAMC-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c(C)cc1O ZINC001235166751 819021659 /nfs/dbraw/zinc/02/16/59/819021659.db2.gz BBLDOCASGQUAMC-GOSISDBHSA-N 2 2 288.435 3.117 20 0 CGADLP CCc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)s1 ZINC001235179737 819026675 /nfs/dbraw/zinc/02/66/75/819026675.db2.gz SDGOCBOMQHFNSL-MRXNPFEDSA-N 2 2 278.465 3.419 20 0 CGADLP CCc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)s1 ZINC001235179737 819026681 /nfs/dbraw/zinc/02/66/81/819026681.db2.gz SDGOCBOMQHFNSL-MRXNPFEDSA-N 2 2 278.465 3.419 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c[nH]c(-c3ccccc3F)c1)C2 ZINC001235244774 819046557 /nfs/dbraw/zinc/04/65/57/819046557.db2.gz JYYSIFAWBYKKCP-RDTXWAMCSA-N 2 2 299.393 3.134 20 0 CGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c[nH]c(-c3ccccc3F)c1)C2 ZINC001235244774 819046563 /nfs/dbraw/zinc/04/65/63/819046563.db2.gz JYYSIFAWBYKKCP-RDTXWAMCSA-N 2 2 299.393 3.134 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235901850 819211931 /nfs/dbraw/zinc/21/19/31/819211931.db2.gz FAILUZUZZRYJRU-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235901850 819211934 /nfs/dbraw/zinc/21/19/34/819211934.db2.gz FAILUZUZZRYJRU-YOEHRIQHSA-N 2 2 260.425 3.341 20 0 CGADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949750 819239489 /nfs/dbraw/zinc/23/94/89/819239489.db2.gz HFAXPIYHTWORCL-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001235949750 819239495 /nfs/dbraw/zinc/23/94/95/819239495.db2.gz HFAXPIYHTWORCL-AWEZNQCLSA-N 2 2 270.376 3.258 20 0 CGADLP CCc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236006899 819270955 /nfs/dbraw/zinc/27/09/55/819270955.db2.gz KRQPXTNPSLJVEQ-KRWDZBQOSA-N 2 2 290.451 3.091 20 0 CGADLP CCc1cc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001236006899 819270959 /nfs/dbraw/zinc/27/09/59/819270959.db2.gz KRQPXTNPSLJVEQ-KRWDZBQOSA-N 2 2 290.451 3.091 20 0 CGADLP CC[N@H+](Cc1ccccc1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236008569 819273143 /nfs/dbraw/zinc/27/31/43/819273143.db2.gz TULGMSBXJSZFNN-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CC[N@@H+](Cc1ccccc1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236008569 819273148 /nfs/dbraw/zinc/27/31/48/819273148.db2.gz TULGMSBXJSZFNN-MRXNPFEDSA-N 2 2 260.425 3.384 20 0 CGADLP CCCCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)s1 ZINC001236045261 819282498 /nfs/dbraw/zinc/28/24/98/819282498.db2.gz BNIYSNHRTADAJF-CHWSQXEVSA-N 2 2 266.454 3.260 20 0 CGADLP CCCCc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)s1 ZINC001236045261 819282504 /nfs/dbraw/zinc/28/25/04/819282504.db2.gz BNIYSNHRTADAJF-CHWSQXEVSA-N 2 2 266.454 3.260 20 0 CGADLP Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050313 819287505 /nfs/dbraw/zinc/28/75/05/819287505.db2.gz HQIJUDBOXIPUFO-CXAGYDPISA-N 2 2 290.451 3.260 20 0 CGADLP Cc1cc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc(C)c1OC(C)C ZINC001236050313 819287510 /nfs/dbraw/zinc/28/75/10/819287510.db2.gz HQIJUDBOXIPUFO-CXAGYDPISA-N 2 2 290.451 3.260 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052071 819288652 /nfs/dbraw/zinc/28/86/52/819288652.db2.gz ZQTQFGHHPGZNPM-XJKSGUPXSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC001236052071 819288656 /nfs/dbraw/zinc/28/86/56/819288656.db2.gz ZQTQFGHHPGZNPM-XJKSGUPXSA-N 2 2 260.425 3.153 20 0 CGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC001236092949 819310689 /nfs/dbraw/zinc/31/06/89/819310689.db2.gz BOFAPFZNEDDZAX-ACJLOTCBSA-N 2 2 284.378 3.272 20 0 CGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1[NH3+] ZINC001236092949 819310697 /nfs/dbraw/zinc/31/06/97/819310697.db2.gz BOFAPFZNEDDZAX-ACJLOTCBSA-N 2 2 284.378 3.272 20 0 CGADLP Fc1cccc(CC2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001236093141 819311802 /nfs/dbraw/zinc/31/18/02/819311802.db2.gz RBRUJCJVUBQZTJ-SFHVURJKSA-N 2 2 290.426 3.222 20 0 CGADLP COc1cc(C)c(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1C(C)C ZINC001236095839 819313441 /nfs/dbraw/zinc/31/34/41/819313441.db2.gz ZVZRSZUGPNWQBD-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP COc1cc(C)c(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1C(C)C ZINC001236095839 819313446 /nfs/dbraw/zinc/31/34/46/819313446.db2.gz ZVZRSZUGPNWQBD-HNNXBMFYSA-N 2 2 290.451 3.311 20 0 CGADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2cccc(C)c2)cc1 ZINC001236143630 819344444 /nfs/dbraw/zinc/34/44/44/819344444.db2.gz LJKIXRKUWMUODT-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2cccc(C)c2)cc1 ZINC001236143630 819344453 /nfs/dbraw/zinc/34/44/53/819344453.db2.gz LJKIXRKUWMUODT-UHFFFAOYSA-N 2 2 268.404 3.443 20 0 CGADLP C[N@H+](Cc1cccc(Br)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236203462 819366189 /nfs/dbraw/zinc/36/61/89/819366189.db2.gz ZWVUFYSEXVQHTB-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP C[N@@H+](Cc1cccc(Br)c1)[C@]1(C)CCC[NH2+]C1 ZINC001236203462 819366195 /nfs/dbraw/zinc/36/61/95/819366195.db2.gz ZWVUFYSEXVQHTB-CQSZACIVSA-N 2 2 297.240 3.023 20 0 CGADLP Cc1cc(C)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C ZINC001236204969 819367148 /nfs/dbraw/zinc/36/71/48/819367148.db2.gz DXMILRXAVSEGEO-KRWDZBQOSA-N 2 2 260.425 3.186 20 0 CGADLP Cc1cc(C)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C ZINC001236204969 819367155 /nfs/dbraw/zinc/36/71/55/819367155.db2.gz DXMILRXAVSEGEO-KRWDZBQOSA-N 2 2 260.425 3.186 20 0 CGADLP CCc1cccc(C)c1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204894 819368014 /nfs/dbraw/zinc/36/80/14/819368014.db2.gz CQLFVHMBSUQQOM-QGZVFWFLSA-N 2 2 260.425 3.131 20 0 CGADLP CCc1cccc(C)c1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236204894 819368019 /nfs/dbraw/zinc/36/80/19/819368019.db2.gz CQLFVHMBSUQQOM-QGZVFWFLSA-N 2 2 260.425 3.131 20 0 CGADLP C[N@H+](Cc1ccccc1-n1cccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208167 819369998 /nfs/dbraw/zinc/36/99/98/819369998.db2.gz SRCCJVQYORVYAX-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP C[N@@H+](Cc1ccccc1-n1cccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236208167 819370002 /nfs/dbraw/zinc/37/00/02/819370002.db2.gz SRCCJVQYORVYAX-SFHVURJKSA-N 2 2 283.419 3.051 20 0 CGADLP CC(C)c1ccccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207387 819370177 /nfs/dbraw/zinc/37/01/77/819370177.db2.gz PHLZGARUCNIAEA-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP CC(C)c1ccccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236207387 819370184 /nfs/dbraw/zinc/37/01/84/819370184.db2.gz PHLZGARUCNIAEA-QGZVFWFLSA-N 2 2 260.425 3.384 20 0 CGADLP Cc1ccc(Cl)cc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208809 819370433 /nfs/dbraw/zinc/37/04/33/819370433.db2.gz XPWSIGHHKXNWAV-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc(Cl)cc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236208809 819370437 /nfs/dbraw/zinc/37/04/37/819370437.db2.gz XPWSIGHHKXNWAV-HNNXBMFYSA-N 2 2 266.816 3.222 20 0 CGADLP Cc1ccc2[nH]cc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209790 819371571 /nfs/dbraw/zinc/37/15/71/819371571.db2.gz ZXECNRQSOWRODU-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP Cc1ccc2[nH]cc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236209790 819371575 /nfs/dbraw/zinc/37/15/75/819371575.db2.gz ZXECNRQSOWRODU-KRWDZBQOSA-N 2 2 271.408 3.050 20 0 CGADLP C[N@H+](Cc1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212998 819374529 /nfs/dbraw/zinc/37/45/29/819374529.db2.gz AQAYXKKORXJIGG-RTBURBONSA-N 2 2 295.430 3.450 20 0 CGADLP C[N@@H+](Cc1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236212998 819374537 /nfs/dbraw/zinc/37/45/37/819374537.db2.gz AQAYXKKORXJIGG-RTBURBONSA-N 2 2 295.430 3.450 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236215509 819378759 /nfs/dbraw/zinc/37/87/59/819378759.db2.gz BCYXEQXEDJUPCG-HNNXBMFYSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236215509 819378761 /nfs/dbraw/zinc/37/87/61/819378761.db2.gz BCYXEQXEDJUPCG-HNNXBMFYSA-N 2 2 283.419 3.193 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217772 819384906 /nfs/dbraw/zinc/38/49/06/819384906.db2.gz QFYCJTIFSRXXFD-PBHICJAKSA-N 2 2 289.398 3.317 20 0 CGADLP Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217772 819384908 /nfs/dbraw/zinc/38/49/08/819384908.db2.gz QFYCJTIFSRXXFD-PBHICJAKSA-N 2 2 289.398 3.317 20 0 CGADLP CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236219649 819386547 /nfs/dbraw/zinc/38/65/47/819386547.db2.gz XFPMMCVUSKTWLT-CABCVRRESA-N 2 2 296.842 3.440 20 0 CGADLP CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236219649 819386555 /nfs/dbraw/zinc/38/65/55/819386555.db2.gz XFPMMCVUSKTWLT-CABCVRRESA-N 2 2 296.842 3.440 20 0 CGADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001236239106 819397971 /nfs/dbraw/zinc/39/79/71/819397971.db2.gz DKJMUVDTUJXDDM-CYBMUJFWSA-N 2 2 274.330 3.265 20 0 CGADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001236239106 819397978 /nfs/dbraw/zinc/39/79/78/819397978.db2.gz DKJMUVDTUJXDDM-CYBMUJFWSA-N 2 2 274.330 3.265 20 0 CGADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303183 819417522 /nfs/dbraw/zinc/41/75/22/819417522.db2.gz MOGXKCCCDJNIQI-ZWNOBZJWSA-N 2 2 272.314 3.190 20 0 CGADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236303183 819417525 /nfs/dbraw/zinc/41/75/25/819417525.db2.gz MOGXKCCCDJNIQI-ZWNOBZJWSA-N 2 2 272.314 3.190 20 0 CGADLP CCC[N@H+](Cc1cccc(C(C)C)c1)[C@H]1CC[NH2+]C1 ZINC001236324457 819425709 /nfs/dbraw/zinc/42/57/09/819425709.db2.gz QKBSYLKLAZSGLH-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP CCC[N@@H+](Cc1cccc(C(C)C)c1)[C@H]1CC[NH2+]C1 ZINC001236324457 819425712 /nfs/dbraw/zinc/42/57/12/819425712.db2.gz QKBSYLKLAZSGLH-KRWDZBQOSA-N 2 2 260.425 3.384 20 0 CGADLP COCC[N@H+](CCCC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236330132 819427570 /nfs/dbraw/zinc/42/75/70/819427570.db2.gz TYWHAPNHXPBSNR-KRWDZBQOSA-N 2 2 282.472 3.047 20 0 CGADLP COCC[N@@H+](CCCC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236330132 819427574 /nfs/dbraw/zinc/42/75/74/819427574.db2.gz TYWHAPNHXPBSNR-KRWDZBQOSA-N 2 2 282.472 3.047 20 0 CGADLP CCCC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236394109 819449185 /nfs/dbraw/zinc/44/91/85/819449185.db2.gz NWNZTFTVKDSFOA-MRXNPFEDSA-N 2 2 264.388 3.180 20 0 CGADLP CCCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236394109 819449187 /nfs/dbraw/zinc/44/91/87/819449187.db2.gz NWNZTFTVKDSFOA-MRXNPFEDSA-N 2 2 264.388 3.180 20 0 CGADLP COc1ccc2sc(C[N@@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2c1 ZINC001236417693 819463269 /nfs/dbraw/zinc/46/32/69/819463269.db2.gz FHSBNRFCCNSPKA-NHYWBVRUSA-N 2 2 290.432 3.222 20 0 CGADLP COc1ccc2sc(C[N@H+]3CCC[C@H]([NH3+])[C@@H]3C)cc2c1 ZINC001236417693 819463275 /nfs/dbraw/zinc/46/32/75/819463275.db2.gz FHSBNRFCCNSPKA-NHYWBVRUSA-N 2 2 290.432 3.222 20 0 CGADLP CC(C)Oc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468822 819490091 /nfs/dbraw/zinc/49/00/91/819490091.db2.gz MYXQCUMQGDALDZ-QGZVFWFLSA-N 2 2 290.451 3.436 20 0 CGADLP CC(C)Oc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468822 819490093 /nfs/dbraw/zinc/49/00/93/819490093.db2.gz MYXQCUMQGDALDZ-QGZVFWFLSA-N 2 2 290.451 3.436 20 0 CGADLP CCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236529474 819521743 /nfs/dbraw/zinc/52/17/43/819521743.db2.gz MPINGHXVRRBDKI-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP CCCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236529474 819521750 /nfs/dbraw/zinc/52/17/50/819521750.db2.gz MPINGHXVRRBDKI-MRXNPFEDSA-N 2 2 276.424 3.048 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647802 819560717 /nfs/dbraw/zinc/56/07/17/819560717.db2.gz NDIQIVWJIRMUGT-UIBIWLFHSA-N 2 2 274.452 3.195 20 0 CGADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236647802 819560722 /nfs/dbraw/zinc/56/07/22/819560722.db2.gz NDIQIVWJIRMUGT-UIBIWLFHSA-N 2 2 274.452 3.195 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001237030428 819647953 /nfs/dbraw/zinc/64/79/53/819647953.db2.gz DTYWKMBXIWCCMA-UHFFFAOYSA-N 2 2 299.418 3.119 20 0 CGADLP CC(C)(C)Oc1ccccc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001237030428 819647957 /nfs/dbraw/zinc/64/79/57/819647957.db2.gz DTYWKMBXIWCCMA-UHFFFAOYSA-N 2 2 299.418 3.119 20 0 CGADLP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001237059816 819657123 /nfs/dbraw/zinc/65/71/23/819657123.db2.gz VVJCAUROGHLLSG-MFKMUULPSA-N 2 2 285.229 3.179 20 0 CGADLP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001237059816 819657125 /nfs/dbraw/zinc/65/71/25/819657125.db2.gz VVJCAUROGHLLSG-MFKMUULPSA-N 2 2 285.229 3.179 20 0 CGADLP Cc1cc(F)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154569 819681234 /nfs/dbraw/zinc/68/12/34/819681234.db2.gz LQGFGMILTCZFMM-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP Cc1cc(F)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154569 819681245 /nfs/dbraw/zinc/68/12/45/819681245.db2.gz LQGFGMILTCZFMM-QGZVFWFLSA-N 2 2 276.399 3.241 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)CC2OC=CC2=S)CC1 ZINC001237186712 819690592 /nfs/dbraw/zinc/69/05/92/819690592.db2.gz NUNJZZGIJRJMQM-UHFFFAOYSA-N 2 2 282.453 3.265 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)CC2OC=CC2=S)CC1 ZINC001237186712 819690600 /nfs/dbraw/zinc/69/06/00/819690600.db2.gz NUNJZZGIJRJMQM-UHFFFAOYSA-N 2 2 282.453 3.265 20 0 CGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001237406981 819744733 /nfs/dbraw/zinc/74/47/33/819744733.db2.gz WHCOEASRLDHDRD-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1Cl ZINC001237406981 819744739 /nfs/dbraw/zinc/74/47/39/819744739.db2.gz WHCOEASRLDHDRD-GOEBONIOSA-N 2 2 278.827 3.222 20 0 CGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C)n2)CC1 ZINC001237821804 819852660 /nfs/dbraw/zinc/85/26/60/819852660.db2.gz FMGKFZZHKDIUBH-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C)n2)CC1 ZINC001237821804 819852668 /nfs/dbraw/zinc/85/26/68/819852668.db2.gz FMGKFZZHKDIUBH-UHFFFAOYSA-N 2 2 293.430 3.225 20 0 CGADLP CC[NH+](CC)C1CC[NH+](Cc2ccsc2C)CC1 ZINC001237973014 819900928 /nfs/dbraw/zinc/90/09/28/819900928.db2.gz XBFYIPBCVWZLDH-UHFFFAOYSA-N 2 2 266.454 3.363 20 0 CGADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cnc1-c1ccccc1 ZINC001238605308 820056846 /nfs/dbraw/zinc/05/68/46/820056846.db2.gz CRHUIWKVHAYYIF-UHFFFAOYSA-N 2 2 297.446 3.441 20 0 CGADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cnc1-c1ccccc1 ZINC001238605308 820056849 /nfs/dbraw/zinc/05/68/49/820056849.db2.gz CRHUIWKVHAYYIF-UHFFFAOYSA-N 2 2 297.446 3.441 20 0 CGADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3coc4ccccc34)ccn12 ZINC001239060089 820208600 /nfs/dbraw/zinc/20/86/00/820208600.db2.gz FTWVWMFYTLXVKR-UHFFFAOYSA-N 2 2 289.338 3.434 20 0 CGADLP c1cn(Cc2ccc(-c3cccc4c[nH+]cn43)cc2)c[nH+]1 ZINC001243659186 823477516 /nfs/dbraw/zinc/47/75/16/823477516.db2.gz MRBNRMVQMJOWHB-UHFFFAOYSA-N 2 2 274.327 3.246 20 0 CGADLP CCc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239589797 820440022 /nfs/dbraw/zinc/44/00/22/820440022.db2.gz UUAWNZKDRRXSMS-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP CCc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239589797 820440026 /nfs/dbraw/zinc/44/00/26/820440026.db2.gz UUAWNZKDRRXSMS-GOSISDBHSA-N 2 2 280.415 3.449 20 0 CGADLP CC(C)([NH3+])c1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240218575 820892424 /nfs/dbraw/zinc/89/24/24/820892424.db2.gz FOZMQZSNQCYFCU-UHFFFAOYSA-N 2 2 251.333 3.195 20 0 CGADLP Cc1sccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240501465 821098367 /nfs/dbraw/zinc/09/83/67/821098367.db2.gz BVGSWVOMOOIYGE-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP Cc1sccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001240501465 821098377 /nfs/dbraw/zinc/09/83/77/821098377.db2.gz BVGSWVOMOOIYGE-HNNXBMFYSA-N 2 2 272.417 3.257 20 0 CGADLP c1cn2ccc(-c3ccc([C@H]4CCC[NH2+]C4)cc3)cc2[nH+]1 ZINC001240511838 821107115 /nfs/dbraw/zinc/10/71/15/821107115.db2.gz KFYXQEAHIHIWNE-KRWDZBQOSA-N 2 2 277.371 3.468 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1cc(F)c2c(c1)C[N@@H+](C)CC2 ZINC001241258267 821678403 /nfs/dbraw/zinc/67/84/03/821678403.db2.gz XKGWIGZRTXTYOD-UHFFFAOYSA-N 2 2 299.393 3.250 20 0 CGADLP Cc1cc(N(C)C)[nH+]cc1-c1cc(F)c2c(c1)C[N@H+](C)CC2 ZINC001241258267 821678405 /nfs/dbraw/zinc/67/84/05/821678405.db2.gz XKGWIGZRTXTYOD-UHFFFAOYSA-N 2 2 299.393 3.250 20 0 CGADLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc(C)c1N ZINC001241886430 822196318 /nfs/dbraw/zinc/19/63/18/822196318.db2.gz WWDUUCHMVLZHBF-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc(C)c1N ZINC001241886430 822196323 /nfs/dbraw/zinc/19/63/23/822196323.db2.gz WWDUUCHMVLZHBF-QGZVFWFLSA-N 2 2 295.430 3.086 20 0 CGADLP COc1ccc(-c2cc(C)[nH+]c(C)c2)c(C[NH+](C)C)c1 ZINC001241995959 822264559 /nfs/dbraw/zinc/26/45/59/822264559.db2.gz OGTIOAHURKHDQZ-UHFFFAOYSA-N 2 2 270.376 3.436 20 0 CGADLP Cc1cc(N)[nH+]cc1-c1cnccc1C[NH+]1CCCCC1 ZINC001242096550 822350334 /nfs/dbraw/zinc/35/03/34/822350334.db2.gz SHKYVTBHEBAUQO-UHFFFAOYSA-N 2 2 282.391 3.020 20 0 CGADLP Oc1c(Cl)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242364110 822967969 /nfs/dbraw/zinc/96/79/69/822967969.db2.gz CENYPVJLVKANAN-UHFFFAOYSA-N 2 2 299.761 3.047 20 0 CGADLP